./arbsrc_9167/AISC/aisc.c0000644012664100000130000003737211440743000014746 0ustar arb_buildcoders#include #include /* #include */ #include #include "aisc.h" const int linebufsize = 200000; char string_buf[256]; struct global_struct *gl; AD *read_aisc(char ** in); #define get_byte(io) do { gl->lastchar = *((*io)++); if (gl->lastchar == '\n') gl->line_cnt++; } while(0) char *read_aisc_file(char *path) { FILE *input; int data_size; char *buffer = 0; if ((input = fopen(path, "r")) == 0) { fprintf(stderr, " file %s not found\n", path); }else{ if (fseek(input,0,2)==-1){ fprintf(stderr, "file %s not seekable\n",path); } else { data_size = (int)ftell(input); if (data_size == 0) { fprintf(stderr, "%s:0: file is empty\n", path); } else { data_size++; rewind(input); buffer = (char *)malloc(data_size+1); data_size = fread(buffer,1,data_size,input); buffer[data_size] = 0; } } fclose(input); } return buffer; } static void aisc_init() { int i; gl = (struct global_struct *)calloc(sizeof(struct global_struct),1); gl->linebuf = (char *)calloc(sizeof(char),linebufsize+2); gl->line_cnt = 1; gl->error_flag = 0; gl->lastchar = ' '; gl->bufsize = linebufsize; gl->out = stdout; gl->outs[0] = stdout; gl->fouts[0] = strdup("stdout"); gl->outs[1] = stdout; gl->fouts[1] = strdup("*"); gl->tabstop = 8; do_com_push(""); gl->fns = create_hash(HASHSIZE); for (i = 0; i < 256; i++) { if ((i == (int) ' ') || (i == (int) '\t') || (i == (int) '\n') || (i == (int) ',') || (i == (int) ';') || (i == EOSTR) ) { gl->b_tab[i] = 1; } else { gl->b_tab[i] = 0; } if ( (i == (int) '\n') || (i == (int) ',') || (i == (int) ';') || (i == EOSTR) ) { gl->c_tab[i] = 1; } else { gl->c_tab[i] = 0; } if ((i == (int) ' ') || (i == (int) '\t') || (i == (int) '\n') || (i == EOSTR) ) { gl->s2_tab[i] = 1; } else { gl->s2_tab[i] = 0; } if ((i == (int) ' ') || (i == (int) '\t') || (i == (int) '\n') ) { gl->s3_tab[i] = 1; } else { gl->s3_tab[i] = 0; } if ((i == (int) ' ') || (i == (int) '\t') || (i == EOSTR) ) { gl->s_tab[i] = 1; } else { gl->s_tab[i] = 0; } gl->outtab[i] = i; } gl->outtab[(unsigned char)'n'] = '\n'; gl->outtab[(unsigned char)'t'] = '\t'; gl->outtab[(unsigned char)'0'] = 0; gl->outtab[(unsigned char)'1'] = 0; gl->outtab[(unsigned char)'2'] = 0; gl->outtab[(unsigned char)'3'] = 0; gl->outtab[(unsigned char)'4'] = 0; gl->outtab[(unsigned char)'5'] = 0; gl->outtab[(unsigned char)'6'] = 0; gl->outtab[(unsigned char)'7'] = 0; gl->outtab[(unsigned char)'8'] = 0; gl->outtab[(unsigned char)'9'] = 0; gl->outtab[(unsigned char)'\\'] = 0; } static void p_err(const char *error) { fprintf(stderr, "%s:%i: Error: %s\n", gl->line_path, gl->line_cnt, error); gl->error_flag = 1; } static void p_err_eof (void){ p_err("Unexpected end of file seen"); } /* static void p_error_brih (void){ p_err("You tried to insert a bracket in a named field"); } */ static void p_error_nobr (void){ p_err("{} found, missing contents"); } static void p_error_nocbr (void){ p_err("missing '}'"); } static void p_error_emwbr (void){ p_err("string expected, ',' found"); } static void p_error_hewnoid (void){ p_err("string expected, ';' found"); } static void p_error_mixhnh (void){ p_err("you cannot use the symbol '@' in this line (or it must be the third symbol in the line)"); } static void p_error_misscom (void){ p_err("missing ';'"); } static void p_error_missco (void){ p_err("missing ',' or ';' or 'newline'"); } static void p_error_exp_string(void){ p_err("string expected"); } static char *read_aisc_string(char ** in, int *is_m) { char *cp; char buf[1024]; cp = &buf[0]; read_spaces: while ((gl->lastchar != EOSTR) && (gl->s2_tab[gl->lastchar])) get_byte(in); /* spaces */ if (gl->lastchar == '#') { while ((gl->lastchar != EOSTR) && (gl->lastchar != '\n')) get_byte(in); /* comment */ goto read_spaces; } if (gl->lastchar == EOSTR) { *is_m = 5; return 0; } if (gl->lastchar == '}') { *is_m = 2; return 0; } if (gl->lastchar == '{') { *is_m = 3; return 0; } if (gl->lastchar == ',') { *is_m = 4; return 0; } if (gl->lastchar == ';') { *is_m = 5; return 0; } if (gl->lastchar == '@') { if (strncmp(*in, "SETSOURCE", 9) == 0) { char *space = (*in)+9; char *file; char *comma; char *end; if (*space != ' ') { p_err("space expected after '@SETSOURCE' (injected code)"); return 0; } *in = space; get_byte(in); while ((gl->lastchar != EOSTR) && (gl->s_tab[gl->lastchar])) get_byte(in); file = (*in)-1; comma = strchr(file, ','); if (!comma) { p_err("comma expected after '@SETSOURCE filename' (injected code)"); return 0; } end = strchr(comma, '@'); if (!end) { p_err("'@' expected after '@SETSOURCE filename,line' (injected code)"); return 0; } comma[0] = 0; gl->line_path = file; gl->line_cnt = atoi(comma+1); *in = end+1; get_byte(in); return read_aisc_string(in, is_m); } else { *is_m = 1; get_byte(in); while ((gl->lastchar != EOSTR) && (gl->s_tab[gl->lastchar])) get_byte(in); if (gl->lastchar == EOSTR) { p_err_eof(); return 0; } } } else { *is_m = 0; } if (gl->lastchar == BEG_STR1) { get_byte(in); if (gl->lastchar == BEG_STR2) { get_byte(in); read_next_char: while ( (gl->lastchar != EOSTR) && (gl->lastchar != END_STR1)) { *(cp++) = gl->lastchar; get_byte(in); } if (gl->lastchar == END_STR1) { get_byte(in); if (gl->lastchar == END_STR2 ) { get_byte(in); }else{ *(cp++) = END_STR1; goto read_next_char; } } } else { *(cp++) = BEG_STR1; while ((!gl->b_tab[gl->lastchar]) && (gl->lastchar != EOSTR) ) { *(cp++) = gl->lastchar; get_byte(in); } } }else{ while ((!gl->b_tab[gl->lastchar]) && (gl->lastchar != EOSTR) ) { *(cp++) = gl->lastchar; get_byte(in); } } if (gl->lastchar == EOSTR) { p_err_eof(); return 0; } read_spaces2: while ((gl->lastchar != EOSTR) && (gl->s_tab[gl->lastchar])) get_byte(in); if (gl->lastchar == '#') { while ((gl->lastchar != EOSTR) && (gl->lastchar != '\n')) get_byte(in); /* comment */ goto read_spaces2; } if (gl->lastchar == EOSTR) { p_err_eof(); return 0; } *cp = 0; if (!buf[0]) return 0; /* emtpy string */ return (char *) strdup(buf); } static AD *make_AD(void) { return (AD *) calloc(sizeof(AD), 1); } static HS *make_HS(void) { return (HS *) calloc(sizeof(HS), 1); } CL *make_CL(void) { return (CL *) calloc(sizeof(CL), 1); } #define ITEM_MAKE hitem = make_AD();if (item) { \ item->next_item = hitem; \ }else{ \ first_item = hitem; \ }; item = hitem; item->first_item = first_item; static AD *read_aisc_line(char ** in, HS ** hs) { /* lese bis zum ;/} */ static int is_m; char *str; AD *first_item, *item, *hitem; HS *first_header, *header, *hheader; first_item = item = 0; get_byte(in); first_header = header = *hs; while (1) { str = read_aisc_string(in, &is_m); if (gl->error_flag) return 0; switch (is_m) { case 2: return first_item; /* } */ case 3: /* { */ ITEM_MAKE; hitem = read_aisc(in); if (gl->error_flag) return 0; if ((header) && (header->key)) { item->key = header->key; }else{ item->key = "{"; } item->sub = hitem; if (hitem) hitem->father = item; if (gl->lastchar != '}') { p_error_nocbr(); return 0; } get_byte(in); break; case 4: /* , */ if ((header) && (header->key)) { } else { p_error_emwbr(); fprintf(stderr,"There is a header line: %s\n",header->key); return 0; }; get_byte(in); break; case 5: /* ; */ /*if (header) { p_error_hewnoid(); return 0; } */ return first_item; case 1: /* @ */ if (header != first_header) { p_error_mixhnh(); return 0; } first_header = header = make_HS(); header->key = str; while (gl->lastchar == ',') { get_byte(in); str = read_aisc_string(in, &is_m); if (is_m != 1) { p_error_mixhnh(); return 0; }; hheader = make_HS(); header->next = hheader; header = hheader; header->key = str; } if (gl->lastchar != ';') { p_error_misscom(); return 0; }; if (first_header->key) { *hs = first_header; } else { *hs = 0; } get_byte(in); return 0; case 0: ITEM_MAKE if (header && header->key) { item->key = header->key; item->val = str; if (!gl->c_tab[gl->lastchar]) { p_error_missco(); return 0; } } else { item->key = str; str = read_aisc_string(in, &is_m); switch (is_m) { case 3: hitem = read_aisc(in); if (gl->error_flag) return 0; if (!hitem) { p_error_nobr(); return 0; } item->sub = hitem; hitem->father = item; if (gl->lastchar != '}') { p_error_nocbr(); return 0; } get_byte(in); break; case 0: item->val = str; if (!gl->c_tab[gl->lastchar]) { p_error_missco(); return 0; } break; case 4: case 5: item->val = strdup(""); break; default: p_error_exp_string(); return 0; } }; if (gl->lastchar == ';') { get_byte(in); if (header && header->next) { p_error_hewnoid(); fprintf(stderr,"There is a header line: %s; %s\n",header->next->key, str); return 0; } return first_item; }; get_byte(in); break; } if (header) header = header->next; } } AD * read_aisc(char ** in) { AD *first, *a, *data = 0; HS *header; first = 0; header = 0; while ((EOSTR != gl->lastchar) && (gl->lastchar != '}')) { a = read_aisc_line(in, &header); if (gl->error_flag) return 0; if (a) { if (data) { data->next_line = a; } else { first = a; }; data = a; data->first_line = first; } }; return first; } static CL *read_prog(char ** in,char *file) { char *p; CL *hcl,*cl,*first_cl; first_cl = cl = 0; gl->line_cnt = 0; while (gl->lastchar != EOSTR) { read_spaces3: while ((gl->lastchar != EOSTR) && (gl->s2_tab[gl->lastchar])) get_byte(in); if (gl->lastchar == '#') { while ((gl->lastchar != EOSTR) && (gl->lastchar != '\n')) get_byte(in); /* comment */ goto read_spaces3; } if (gl->lastchar == EOSTR) break; p = (*in)-1; while ((gl->lastchar != EOSTR) && (gl->lastchar != '\n')) get_byte(in); (*in)[-1] = 0; hcl = make_CL(); if (!cl) first_cl = cl = hcl; else{ cl->next = hcl; cl = hcl; } cl->str = (char *)strdup(p); cl->path = file; cl->linenr = gl->line_cnt; } return first_cl; } int main(int argc,char ** argv) { char *buf; CL *co; int i; char abuf[20]; int erg; if (argc < 2) { fprintf(stderr, "Specify File name\n"); exit(-1); } aisc_init(); for (i=0;ist->hs,abuf,argv[i]); } sprintf(abuf,"%i",argc); write_hash(gl->st->hs,"argc",abuf); buf = read_aisc_file(argv[1]); if (!buf) exit(-1); gl->prg = read_prog(&buf,argv[1]); if (gl->prg) { aisc_calc_special_commands(); co = aisc_calc_blocks(gl->prg,0,0,0); if (co) { print_error("unexpected end of file"); return 1; } erg = run_prg(); /* fprintf(stderr, "run_prg() returns %i\n", erg); */ if (erg) { aisc_remove_files(); fflush(stdout); exit (-1); } } return 0; } ./arbsrc_9167/AISC/aisc_commands.c0000644012664100000130000006735711440743000016635 0ustar arb_buildcoders#include #include #include #include #include /* #include */ #include #include "aisc.h" int contains_tabs = 0; static int error_count = 0; void print_error_internal(const char *err, const char *launcher_file, int launcher_line) { fprintf(stderr, "./%s:%i: Error: %s\n", gl->pc->path, gl->pc->linenr, err); if (launcher_file) fprintf(stderr, "../AISC/%s:%i: error was launched from here\n", launcher_file, launcher_line); error_count++; } void print_warning_internal(const char *err, const char *launcher_file, int launcher_line) { fprintf(stderr, "./%s:%i: Warning: %s\n", gl->pc->path, gl->pc->linenr, err); if (launcher_file) fprintf(stderr, "../AISC/%s:%i: error was launched from here\n", launcher_file, launcher_line); } #define ERRBUFSIZE 200 const char *formatted(const char *format, ...) { /* goes to header: __ATTR__FORMAT(1) */ static char *errbuf = 0; if (!errbuf) { errbuf = (char*)malloc(ERRBUFSIZE+1); } va_list argPtr; va_start(argPtr, format); int chars = vsprintf(errbuf, format, argPtr); if (chars>ERRBUFSIZE) { fprintf(stderr, "%s:%i: Error: Buffer overflow!\n", __FILE__, __LINE__); vfprintf(stderr, format, argPtr); fputc('\n', stderr); va_end(argPtr); exit(EXIT_FAILURE); } va_end(argPtr); return errbuf; } #undef ERRBUFSIZE static void memcopy(char *dest, const char *source, int len) { int i; const char *s; char *d; i = len; s = source; d = dest; if (s < d) { s += i; d += i; while (i--) { *(--d) = *(--s); } } else { while (i--) { *(d++) = *(s++); } } } static char *find_string(const char *str,const char *key) { const char *p1,*p2; for (p1=str,p2=key;*p1;) { if (!*p2) { return (char*)(str); }else{ if (*p2==*p1){ p1 ++; p2++; }else{ p2 = key; p1 = (++str); } } } if (!*p2) return (char*)(str); return 0; } static char *calc_rest_line(/*const*/ char *str, int size, int presize) { /* wertet einen Puffer str aus , str[-1] muss exestieren !!! */ char *ld; char *p; char *br; char *path; char *fi; int lenf, len; char *lastbr; char c; ld = find_string(&str[2], "$("); fi = 0; if (ld) { lastbr = calc_rest_line(ld, size - (ld - str),presize+2); if (!lastbr) return 0; }else{ lastbr = str+2; } p = str+2; READ_SPACES(p); if (*p == 0) { print_error("unbalanced brackets; EOL found"); return 0; } br = strchr(p, ')'); if (!br) { fprintf(stderr, "%s#%s\n",str,lastbr); print_error("unbalanced brackets; missing ')'"); return 0; } *br = 0; br++; if (*p == 0) { /* empty $() */ fi = strdup(""); }else if (presize && (str[-1] == '$')) { /* quoted */ br[-1] = ')'; c = *br; *br = 0; fi = strdup(str+1); /*printf("%s#%s\n",fi,br);*/ *br = c; }else if (*p == '+') { path = p + 1; READ_SPACES(path); fi = strpbrk(path, "+,"); if (!fi) { print_error("NO '+,;' found in ADD FUNCTION"); return 0; } *(fi++) = 0; READ_SPACES(fi); sprintf(string_buf, "%li", atol(path) + atol(fi)); fi = strdup(string_buf); }else if (*p == '*') { path = p + 1; READ_SPACES(path); fi = strpbrk(path, "*,"); if (!fi) { print_error("NO '*,;' found in ADD FUNCTION"); return 0; } *(fi++) = 0; READ_SPACES(fi); sprintf(string_buf, "%li", atol(path) * atol(fi)); fi = strdup(string_buf); } else if (*p == '#') { if (!strncmp(p, "#FILE", 5)) { for (path = p + 5; gl->s2_tab[(unsigned)(path[0])]; path++) ; fi = read_aisc_file(path); if (!fi) return 0; { int file_len = strlen(fi); const char *previous_file = gl->line_path ? gl->line_path : "unknown.file"; int previous_line = gl->line_path ? gl->line_cnt : 0; int buflen = file_len+strlen(path)+strlen(previous_file)+100; char *buffer = (char *)malloc(buflen); /* Inject code to restore correct code file and line (needed for proper error messages) */ int printed = sprintf(buffer, "@SETSOURCE %s,%i@%s@SETSOURCE %s,%i@", path, 1, fi, previous_file, previous_line); if (printed >= buflen) { fprintf(stderr, "%s:%i: Error: buffer overflow\n", __FILE__, __LINE__); } free(fi); fi = buffer; } } else { printf_error("unknown Var_Command '%s'", p); return 0; } } else { fi = get_var_string(p); } if (fi) { lenf = strlen(fi); len = strlen(br); if (len + lenf > size) { print_error("bufsize exceeded"); return 0; } memcopy(str + lenf, br, len + 1); memcpy(str, fi, lenf); free(fi); ld = find_string(str, "$("); if (ld) { lastbr = calc_rest_line(ld, size - (ld - str),presize+(ld-str)); if (!lastbr) return 0; } return str+lenf; } if (gl->pc->command != IF) { printf_error("unknown Var_Reference '%s'", p); } return 0; } static int calc_line(char *str, char *buf) { char *ld; int len; char *lb; len = strlen(str); if (len > gl->bufsize) len = gl->bufsize; memcpy(buf, str, len + 1); ld = find_string(buf, "$("); if (!ld) return 0; contains_tabs = 0; lb = calc_rest_line(ld, gl->bufsize - (ld - buf),ld-buf); if (!lb) return 1; return 0; } static int calc_line2(char *str, char *buf) { /* erstes $( nicht auswerten ) !!! */ char *ld; char *lb; int len; len = strlen(str); if (len > gl->bufsize - 10) len = gl->bufsize - 10; memcpy(buf, str, len + 1); ld = buf; READ_SPACES(ld); ld = find_string(buf, "$("); if (strncmp(ld,"$(",2)) { print_error("No Identifier specified"); return 1; } ld = find_string(ld + 2, "$("); contains_tabs = 0; if (ld) { lb = calc_rest_line(ld, gl->bufsize - (ld - buf),2); if (!lb) return 1; } return 0; } static void write_aisc(AD * ad, FILE * out, int deep) { AD *item, *line; int i; int flag; for (line = ad; line; line = line->next_line) { for (i = 0; i < deep; i++) fprintf(out, "\t"); flag = 0; for (item = line; item; item = item->next_item) { if (flag) fprintf(out, ","); flag = 1; if (item->sub) { fprintf(out, "%s {\n", item->key); write_aisc(item->sub, out, deep + 1); for (i = 0; i <= deep; i++) fprintf(out, "\t"); fprintf(out, "}"); } else { fprintf(out, "\t%s (~%s~)", item->key, item->val); } } fprintf(out, ";\n"); } } /* static void write_prg(CL * cl, FILE * out, int deep) { CL *line; int i; for (line = cl; line; line = line->next) { for (i = 0; i < deep; i++) fprintf(out, "\t"); fprintf(out, "%5i %s\n", line->linenr, line->str); } } */ static int do_com_dbg(char *str) { write_aisc(gl->root, stdout, 0); str = str; return 0; } static int do_com_data(char *str) { char *in; if (strlen(str) < 2) { printf_error("no parameter '%s'", gl->pc->str); return 1; } in = str; gl->lastchar = ' '; gl->line_cnt = 1; gl->line_path = gl->pc->path; gl->root = read_aisc(&in); if (!gl->root) { printf_error("occurred in following script-part: '%s'", gl->pc->str); return 1; } return 0; } static int do_com_write(FILE * out, char *str) { char *p; char c; int no_nl = 0; int pos; int lt, rt; p = str; while ( (c = *(p++)) ) { if (c == '$') { c = *(p++); if (!c) break; if (!gl->outtab[(unsigned)(c)]) { if (c == '\\') { no_nl = 1; continue; } if ((c >= '0') && (c <= '9')) { pos = gl->tabs[c - '0']; if (pos < gl->tabpos) continue; lt = gl->tabpos / gl->tabstop; rt = pos / gl->tabstop; while (lt < rt) { putc('\t', out); lt++; gl->tabpos /= gl->tabstop; gl->tabpos++; gl->tabpos *= gl->tabstop; } while (gl->tabpos < pos) { putc(' ', out); gl->tabpos++; } continue; } continue; } else { c = gl->outtab[(unsigned)(c)]; } } if (c == '\t') { putc(c, out); gl->tabpos /= gl->tabstop; gl->tabpos++; gl->tabpos *= gl->tabstop; } else if (c == '\n') { if (no_nl) { no_nl = 0; } else { putc(c, out); gl->tabpos = 0; } } else if (c == '@') { if (strncmp(p, "SETSOURCE", 9) == 0) { /* skip '@SETSOURCE file, line@' */ p = strchr(p, '@'); if (!p) { print_error("expected '@' after '@SETSOURCE' (injected code)"); return 1; } p++; } else { putc(c, out); gl->tabpos++; } } else { putc(c, out); gl->tabpos++; } } if (!no_nl) { putc('\n', out); gl->tabpos = 0; } return 0; } static int do_com_print(char *str) { do_com_write(gl->out, str); return 0; } static int do_com_print2(char *str) { do_com_write(stdout, str); return 0; } static int do_com_tabstop(char *str) { int ts, i; ts = atoi(str); if ((ts < 1) || (ts > 1024)) { print_error("wrong TABSTOP"); return 1; } gl->tabstop = ts; for (i = 0; i < 9; i++) gl->tabs[i] = i * ts; return 0; } static int do_com_tab(char *str) { int ts, val; char *s1, *s2; s1 = strtok(str, " \t,;"); s2 = strtok(0, " \t,;"); ts = atoi(s1); val = atoi(s2); if ((ts < 0) || (ts > 9)) { print_error("wrong TABCOUNT"); return 1; } if ((val < 0) || (val > 1000)) { print_error("wrong TABVALUE"); return 1; } gl->tabs[ts] = val; return 0; } static int do_com_error(char *str) { print_error(str); return 1; } static int do_com_open(char *str) { FILE *file; int i; char *fn; READ_SPACES(str); str = strtok(str, " \t,;\n"); fn = strtok(0, " \t,;\n"); if (!fn) { print_error("No Filename found (<3)"); return 1; } if (strlen(fn) < 3) { printf_error("Filename '%s' too short (<3)", fn); return 1; } for (i = 0; i < OPENFILES; i++) { if (gl->fouts[i]) { if (strcmp(gl->fouts[i], str) == 0) { printf_error("File '%s' already opened", str); return 1; } } } for (i = 0; i < OPENFILES; i++) { if (!gl->fouts[i]) { break; } } if (i == OPENFILES) { print_error("Too many open files"); return 1; } file = fopen(fn, "w"); if (!file) { printf_error("Cannot open file '%s'", fn); return 1; } gl->fouts[i] = strdup(str); gl->fouts_name[i] = strdup(fn); gl->outs[i] = file; /* fprintf(stderr, "do_com_open creates file '%s' (type='%s')\n", gl->fouts_name[i], gl->fouts[i]); */ return 0; } void aisc_remove_files() { int i; for (i = 0; i < OPENFILES; i++) { if (gl->fouts[i]) { fclose(gl->outs[i]); if (gl->fouts_name[i]) { fprintf(stderr, "Unlinking %s\n", gl->fouts_name[i]); unlink(gl->fouts_name[i]); } } } } static int do_com_close(char *str) { int i; READ_SPACES(str); str = strtok(str, " \t,;\n"); for (i = 0; i < OPENFILES; i++) { if (gl->fouts[i]) { if (!strcmp(gl->fouts[i], str)) { fclose(gl->outs[i]); /* fprintf(stderr, "do_com_close(%s)\n", gl->fouts_name[i]); */ free(gl->fouts[i]); free(gl->fouts_name[i]); gl->fouts[i] = 0; gl->fouts_name[i] = 0; if (gl->outs[i] == gl->out) { gl->out = stdout; } return 0; } } } return 0; } static int do_com_out(char *str) { int i; READ_SPACES(str); str = strtok(str, " \t,;\n"); for (i = 0; i < OPENFILES; i++) { if (gl->fouts[i]) { if (!strcmp(gl->fouts[i], str)) { gl->out = gl->outs[i]; return 0; } } } printf_error("File '%s' not opened for OUT Command", str); return 1; } static int do_com_moveto(char *str) { AD *fo; char *st; char *co; char *p; st = find_string(str, "$("); if (!st) { print_error("no $( found"); return 1; }; st += 2; READ_SPACES(st); co = strchr(st, ')'); if (!co) { print_error("no ) found"); return 1; }; *co = 0; p = strrchr(st, '/'); if (p) { fo = aisc_find_var_hier(gl->cursor, st, 0, 0, 0); } else { fo = aisc_find_var_hier(gl->cursor, st, 0, 1, 0); } if (!fo){ }else{ gl->cursor = fo; } return 0; } static int do_com_set(char *str) { char *st; char *co; char *def; struct hash_struct *hs; st = find_string(str, "$("); if (!st) { print_error("no $( found"); return 1; }; st += 2; co = strchr(st, ')'); if (!co) { print_error("no ) found"); return 1; }; *(co++) = 0; def = read_hash_local(st,&hs); if (!def) { printf_error("undefined Ident '%s' in SET (use CREATE first)", st); return 1; } READ_SPACES(co); if (*co == '=') { *(co++) = 0; READ_SPACES(co); } write_hash(hs, st, co); return 0; } static int do_com_create(char *str) { char *st; char *co; char *def; st = find_string(str, "$("); if (!st) { print_error("no $( found"); return 1; }; st += 2; co = strchr(st, ')'); if (!co) { print_error("no ) found"); return 1; }; *(co++) = 0; def = read_hash( gl->st->hs,st); if (def) { printf_error("Ident '%s' in CREATE already defined", st); return 1; } READ_SPACES(co); if (*co == '=') { *(co++) = 0; READ_SPACES(co); } write_hash(gl->st->hs, st, co); return 0; } static int do_com_if(char *str) { char *equ; char *kom; char *la; char *kom2; int op = 0; /* 0= 1~ 2< 3> !+8 */ for (equ = str;*equ;equ++) { if (*equ =='=') { op = 0; break;} if (*equ =='~') { op = 1; break;} /*if (*equ =='<') { op = 2; break;} if (*equ =='>') { op = 3; break;}*/ } la = equ; if (!*la) { // no operator found -> assume condition true, even if empty or undefined return 0; } aisc_assert(equ>str); if (equ[-1] == '!') op += 8; READ_RSPACES(la); *(++la) = 0; equ++; while (equ) { READ_SPACES(equ); kom2 = kom = strchr(equ, ','); if (kom) { kom2++; READ_RSPACES(kom); *(++kom) = 0; } /* printf("- str='%s' equ='%s'\n", str, equ); */ switch (op) { case 0: if (!strcmp(str, equ)) return 0; break; case 8: if ( strcmp(str, equ)) return 0; break; case 1: if ( find_string(str, equ)) return 0; break; case 9: if (!find_string(str, equ)) return 0; break; /* case 2: if (strcmp(str, equ)< 0) return 0; break; */ /* case 10:if (strcmp(str, equ)>=0) return 0; break; */ /* case 3: if (strcmp(str, equ)> 0) return 0; break; */ /* case 11:if (strcmp(str, equ) <= 0) return 0; break; */ default : printf_error("Unhandled operator (op=%i)", op); return 1; } equ = kom2; } // condition wrong -> goto else gl->nextpc = gl->pc->ELSE->next; return 0; } static int do_com_for_add(CL *co) { struct for_data_struct *fd; fd = (struct for_data_struct *)calloc(sizeof(struct for_data_struct),1); fd->next = co->fd; co->fd = fd; return 0; } static int do_com_for_sub(CL *co) { struct for_data_struct *fd; fd = co->fd; if (fd->forstr) free(fd->forstr); co->fd = fd->next; free((char *)fd); return 0; } int do_com_push(const char *str) { struct stack_struct *st; st = (struct stack_struct *)calloc(sizeof(struct stack_struct),1); st->cursor = gl->cursor; st->pc = gl->pc; if (gl->sp++ >= STACKSIZE) { print_error("Stack size exceeded"); return 1; } st->hs = create_hash(HASHSIZE); st->next = gl->st; gl->st = st; str = str; return 0; } static int do_com_pop(const char *str) { struct stack_struct *st; st = gl->st; free_hash(st->hs); if (gl->sp-- <=1) { print_error("Nothing to Pop"); return 1; } gl->cursor = st->cursor; gl->st = st->next; free((char *)st); str = str; return 0; } static int do_com_gosub(char *str) { char *fn; char *s; char *params,*para,*fpara,*npara=0,*nfpara=0; CL *fun; int err; if (do_com_push("")) return 1; for (s = str; !gl->b_tab[(int)(*s)]; s++) ; if (*s) { *s = 0; s++; READ_SPACES(s); params = strdup(s); }else{ params = strdup(""); } fn = read_hash(gl->fns,str); if (!fn) { printf_error("Function '%s' not found", str); return 1; } gl->pc = fun = (CL *)atol(fn); err = calc_line(gl->pc->str, gl->linebuf); if (err) return err; fpara = gl->linebuf; READ_SPACES(fpara); for (para = params; *para;para=npara,fpara=nfpara){ if (!*fpara) { printf_error("Too many Parameters %s",para); return 1; } for (s = para; !gl->c_tab[(int)(*s)]; s++) ; if (*s) {npara = s+1;READ_SPACES(npara);} else npara = s; *s = 0; for (s = fpara; !gl->c_tab[(int)(*s)]; s++) ; if (*s) {nfpara = s+1;READ_SPACES(nfpara);} else nfpara = s; *s = 0; s = read_hash( gl->st->hs,para); if (s) { printf_error("duplicated formal parameter %s", para); return 1; } write_hash(gl->st->hs, fpara, para); } if (*fpara) { printf_error("Not enough parameters '%s'", fpara); return 1; } gl->nextpc = fun ->next; free(params); return 0; } static int do_com_goto(char *str) { char *fn; fn = read_hash(gl->fns,str); if (!fn) { printf_error("Function '%s' not found", str); return 1; } gl->nextpc = ( (CL *)atol(fn) ) ->next; return 0; } static int do_com_return(char *str) { gl->nextpc = gl->st->pc->next; if (do_com_pop("")) return 1; str = str; return 0; } static int do_com_exit(char *str) { str = str; return 1; } static int do_com_for(char *str) { AD *fo; char *st; char *co; char *p; char *eq; struct hash_struct *hs; st = find_string(str, "$("); st += 2; READ_SPACES(st); co = strchr(st, ')'); *(co++) = 0; eq = strchr(co, '='); if (eq) { char *to; *(eq++) = 0; READ_SPACES(eq); to = find_string(eq, "TO"); if (!to) { print_error("TO not found in FOR :( FOR $(i) = a TO b )"); return 1; } *to = 0; to += 2; READ_SPACES(to); if (do_com_for_add(gl->pc)) return 1; gl->pc->fd->forval = atol(eq); gl->pc->fd->forend = atol(to); if (gl->pc->fd->forval > gl->pc->fd->forend) { gl->nextpc = gl->pc->NEXT->next; return do_com_for_sub(gl->pc); } p = (char *) read_hash_local(st, &hs); if (!p) { printf_error("Undefined Ident '%s' in FOR (use CREATE first)", st); return 1; } sprintf(string_buf, "%li", gl->pc->fd->forval); write_hash(hs, st, string_buf); gl->pc->fd->forstr = strdup(st); } else { p = strrchr(st, '/'); if (p) str = p + 1; else str = st; if (p) { fo = aisc_find_var_hier(gl->cursor, st, 0, 0, 0); } else { fo = aisc_find_var_hier(gl->cursor, st, 0, 1, 0); } if (!fo) { gl->nextpc = gl->pc->NEXT->next; return 0; } do_com_for_add(gl->pc); gl->pc->fd->forstr = strdup(str); gl->pc->fd->forcursor = gl->cursor; gl->cursor = fo; } return 0; } static int do_com_next(const char *str) { AD *fo; char *p; struct hash_struct *hs; if (gl->pc->FOR->fd->forcursor) { fo = aisc_find_var(gl->cursor, gl->pc->FOR->fd->forstr, 1, 1, 0); if (!fo) { gl->cursor = gl->pc->FOR->fd->forcursor; gl->nextpc = gl->pc->FOR->ENDFOR->next; do_com_for_sub(gl->pc->FOR); } else { gl->nextpc = gl->pc->FOR->next; gl->cursor = fo; } } else { gl->pc->FOR->fd->forval++; if (gl->pc->FOR->fd->forval > gl->pc->FOR->fd->forend) { gl->nextpc = gl->pc->FOR->ENDFOR->next; do_com_for_sub(gl->pc->FOR); } else { gl->nextpc = gl->pc->FOR->next; p = read_hash_local(gl->pc->FOR->fd->forstr,&hs); sprintf(string_buf, "%li", gl->pc->FOR->fd->forval); write_hash(hs, gl->pc->FOR->fd->forstr, string_buf); } } str = str; return 0; } #define COMMAND(str,string,len,func) \ if ( string[0] == str[0] && !strncmp(string,str,len)) { \ char *s=str+len; \ READ_SPACES(s); \ if (func(s)) break; \ continue; \ } #define COMMAND_NOFAIL(str,string,len,func) \ if ( string[0] == str[0] && !strncmp(string,str,len)) { \ char *s=str+len; \ READ_SPACES(s); \ if (func(s)) return -1; \ continue; \ } #define COMMAND2(str,string,len,func) \ if ( string[0] == str[0] && !strncmp(string,str,len)) { \ char *s=str+len; \ if (func(s)) break; \ continue; \ } #define COMMAND2_NOFAIL(str,string,len,func) \ if (string[0] == str[0] && !strncmp(string,str,len)) { \ char *s=str+len; \ if (func(s)) return -1; \ continue; \ } int run_prg(void) { int err; for (gl->pc = gl->prg; gl->pc; gl->pc = gl->nextpc) { gl->nextpc = gl->pc->next; if (gl->pc->command) { switch (gl->pc->command) { case IF: if (calc_line(gl->pc->str, gl->linebuf)) { gl->nextpc = gl->pc->ELSE->next; break; } if (do_com_if(gl->linebuf)) return 1; break; case FOR: if (calc_line2(gl->pc->str, gl->linebuf)) return 1; if (do_com_for(gl->linebuf)) return 1; break; case ELSE: gl->nextpc = gl->pc->IF->ENDIF->next; break; case NEXT: if (do_com_next("")) return 1; break; case ENDFOR: case ENDIF: break; default: break; } continue; } if (!strncmp(gl->pc->str, "MOVETO", 6)) { if (calc_line2(gl->pc->str + 7, gl->linebuf)) break; if (do_com_moveto(gl->linebuf)) break; continue; } if (!strncmp(gl->pc->str, "SET", 3)) { if (calc_line2(gl->pc->str + 4, gl->linebuf)) break; if (do_com_set(gl->linebuf)) break; continue; } if (!strncmp(gl->pc->str, "CREATE", 6)) { if (calc_line2(gl->pc->str + 7, gl->linebuf)) break; if (do_com_create(gl->linebuf)) break; continue; } gl->s_pos = 0; gl->line_path = 0; err = calc_line(gl->pc->str, gl->linebuf); if (err) return err; COMMAND2(gl->linebuf,"PRINT",5,do_com_print); COMMAND2(gl->linebuf,"P ",2,do_com_print); COMMAND2(gl->linebuf,"P\t",2,do_com_print); COMMAND(gl->linebuf,"GOSUB",5,do_com_gosub); COMMAND(gl->linebuf,"CALL",4,do_com_gosub); COMMAND(gl->linebuf,"GOTO",4,do_com_goto); COMMAND(gl->linebuf,"RETURN",6,do_com_return); COMMAND(gl->linebuf,"PUSH",4,do_com_push); COMMAND(gl->linebuf,"POP",3,do_com_pop); COMMAND(gl->linebuf,"CONTINUE",8,do_com_next); COMMAND(gl->linebuf,"OPEN",4,do_com_open); COMMAND(gl->linebuf,"CLOSE",5,do_com_close); COMMAND(gl->linebuf,"OUT",3,do_com_out); COMMAND2_NOFAIL(gl->linebuf,"ERROR",5,do_com_error); COMMAND(gl->linebuf,"TABSTOP",7,do_com_tabstop); COMMAND(gl->linebuf,"TAB",3,do_com_tab); COMMAND(gl->linebuf,"PP",2,do_com_print2); COMMAND(gl->linebuf,"EXIT",4,do_com_exit); COMMAND_NOFAIL(gl->linebuf,"DATA",4,do_com_data); COMMAND(gl->linebuf,"DBG",3,do_com_dbg); printf_error("Unknown Command '%s'", gl->pc->str); return -1; } aisc_assert(error_count == 0); return 0; } ./arbsrc_9167/AISC/aisc.h0000644012664100000130000000670411440743000014746 0ustar arb_buildcoders#define OPENFILES 16 #define HASHSIZE 1024 #define STACKSIZE 10 enum aisc_commands { no_command, IF, ENDIF, ELSE, FOR, NEXT, ENDFOR, ELSEIF, FUNCTION, LABEL, MAX_COM }; struct hash_entry { char *key; char *val; struct hash_entry *next; }; typedef struct hash_struct { int size; struct hash_entry **entries; } hash; typedef struct acm_data { struct acm_data *next_item; struct acm_data *next_line; struct acm_data *first_item; struct acm_data *first_line; struct acm_data *father; const char *key; struct acm_data *sub; char *val; } AD; typedef struct header_struct { struct header_struct *next; char *key; } HS; struct for_data_struct { char *forstr; AD *forcursor; long forval; long forend; struct for_data_struct *next; }; typedef struct command_lines { struct command_lines *next; char *str; int linenr; char *path; enum aisc_commands command; struct for_data_struct *fd; struct command_lines *IF; struct command_lines *ELSE; struct command_lines *ENDIF; struct command_lines *FOR; struct command_lines *NEXT; struct command_lines *ENDFOR; } CL; struct stack_struct { AD *cursor; CL *pc; hash *hs; struct stack_struct *next; }; struct param_struct { char *param; struct param_struct *next; }; struct global_struct { int error_flag; char b_tab[256]; char s_tab[256]; char s2_tab[256]; char s3_tab[256]; char c_tab[256]; char outtab[256]; AD *cursor; AD *root; CL *prg; CL *pc; CL *nextpc; struct stack_struct *st; int sp; int line_cnt; char *line_path; int lastchar; char *linebuf; int bufsize; int s_pos; FILE *out; FILE *outs[OPENFILES]; char *fouts[OPENFILES]; // type of file char *fouts_name[OPENFILES]; // file-system-name of file int tabstop; int tabs[10]; hash *fns; int tabpos; }; extern struct global_struct *gl; extern char string_buf[256]; #define READ_SPACES(var) while(gl->s3_tab[(unsigned)(*var)]) var++; #define READ_RSPACES(var) while(gl->s3_tab[(unsigned)(*(--var))]); #define EOSTR 0 #define BEG_STR1 '(' #define BEG_STR2 '~' #define END_STR1 '~' #define END_STR2 ')' #include "aisc_proto.h" #define aisc_assert(cond) do { if (!(cond)) { *(char*)NULL = 0; } } while(0) /* core dump */ // #define SHOW_CALLER // show where error was raised #ifdef SHOW_CALLER #define print_error(err) print_error_internal(err, __FILE__, __LINE__) #define print_warning(err) print_warning_internal(err, __FILE__, __LINE__) #define printf_error(format, arg) print_error_internal(formatted(format, arg), __FILE__, __LINE__) #else #define print_error(err) print_error_internal(err, NULL, 0) #define print_warning(err) print_warning_internal(err, NULL, 0) #define printf_error(format, arg) print_error_internal(formatted(format, arg), NULL, 0) #endif ./arbsrc_9167/AISC/aisc_mix.c0000644012664100000130000002223611440743000015614 0ustar arb_buildcoders#include #include #include /* #include */ #include "aisc.h" CL *aisc_calc_blocks(CL * co, CL * afor, CL * aif, int up) { CL *oif; CL *ofor; CL *aelse; CL *anext; while (co) { while (co &&(!co->command)) { gl->pc = co; co->IF = aif; co->FOR = afor; co = co->next; } if (!co) return 0; gl->pc = co; co->IF = aif; co->FOR = afor; gl->pc = co; switch (co->command) { case NEXT: case ENDFOR: case ELSE: case ELSEIF: case ENDIF: return co; case IF: oif = aif; aif = co; co = aisc_calc_blocks(co->next,afor,aif,0); if (!co) { print_error("IF without ELSE or ENDIF"); return 0; } if(co->command == ELSE) { aif->ELSE=co; aelse = co; co = aisc_calc_blocks(co->next,afor,aif,0); if (!co){ gl->pc = aif; print_error("ELSE without ENDIF"); return 0; } if (co->command!=ENDIF){ print_error("ELSE without ENDIF"); return 0; } aif->ENDIF=co; aelse->ENDIF=co; if (up) return co; }else if(co->command == ELSEIF) { CL *cod; cod = make_CL(); *cod = *co; cod->command = IF; co->command = ELSE; co ->next = cod; co->str = NULL; co->path = strdup(co->path); aif->ELSE=co; aelse = co; co = aisc_calc_blocks(cod,afor,aif,1); if (!co) { gl->pc = aif; print_error("ELSEIF without ENDIF or ELSE"); return 0; } if (co->command!=ENDIF){ print_error("ELSEIF without ENDIF"); return 0; } aif->ENDIF=co; cod->ENDIF=co; aelse->ENDIF=co; if (up) return co; }else if (co->command == ENDIF) { aif->ELSE=co; aif->ENDIF=co; if (up) return co; }else{ print_error("IF without ELSE or ENDIF"); return 0; } aif = oif; break; case FOR: ofor = afor; afor = co; co = aisc_calc_blocks(co->next,afor,aif,0); if (!co) { gl->pc = afor; print_error("FOR without NEXT or ENDFOR"); return 0; } if(co->command == NEXT) { afor->NEXT=co; anext = co; co = aisc_calc_blocks(co->next,afor,aif,0); if (!co){ gl->pc = aif; print_error("NEXT without ENDFOR"); return 0; } if (co->command!=ENDFOR){ print_error("NEXT without ENDFOR"); return 0; } afor->ENDFOR=co; anext->ENDFOR=co; } else if (co->command == ENDFOR) { afor->ENDFOR=co; afor->NEXT=co; co->command = NEXT; }else{ print_error("FOR without NEXT or ENDFOR"); return 0; } afor = ofor; break; default: break; } co = co->next; } return 0; } int aisc_calc_special_commands(void) { CL *co; char *buf1,*buf2; for (co=gl->prg;co;co=co->next) { if (!strncmp(co->str,"IF",2)) { buf1 = co->str+2; co->command = IF; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"ELSEIF",6)) { buf1 = co->str+6; co->command = ELSEIF; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"ELSE",4)) { buf1 = co->str+4; co->command = ELSE; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"ENDIF",5)) { buf1 = co->str+5; co->command = ENDIF; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"FOR",3)) { buf1 = co->str+3; co->command = FOR; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"ENDFOR",6)) { buf1 = co->str+6; co->command = ENDFOR; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"NEXT",4)) { buf1 = co->str+4; co->command = NEXT; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; continue; } if (!strncmp(co->str,"FUNCTION",8)) { char *s,*s2; buf1 = co->str+8; co->command = FUNCTION; READ_SPACES(buf1); for (s=buf1;!gl->b_tab[(int)(*s)];s++) ; if (*s) { *s = 0; s++; READ_SPACES(s); s2 = strdup(s); }else{ s2 = strdup(""); } buf2 = strdup(buf1); free(co->str); co->str = s2; sprintf(string_buf,"%li",(long)co); write_hash(gl->fns,buf2,string_buf); continue; } if (!strncmp(co->str,"LABEL",5)) { buf1 = co->str+5; co->command = LABEL; READ_SPACES(buf1); buf2 = strdup(buf1); free(co->str); co->str = buf2; sprintf(string_buf,"%li",(long)co); write_hash(gl->fns,buf2,string_buf); continue; } } return 0; } static int hash_index(const char *key, int size) { int x; const char *p; char c; p = key; x = 1; while ( (c=*(p++))){ x = (x<<1) ^ c; } x %= size; if (x<0) x+= size; return x; } struct hash_struct *create_hash(int size) { struct hash_struct *hs; hs = (struct hash_struct *)calloc(sizeof(struct hash_struct),1); hs->size = size; hs->entries = (struct hash_entry **)calloc(sizeof(struct hash_entry *),size); return hs; } char *read_hash_local(char *key,struct hash_struct **hs) { struct stack_struct *ss; int i; struct hash_entry *e; i = hash_index(key,gl->st->hs->size); for (ss = gl->st;ss;ss=ss->next) { for(e=ss->hs->entries[i];e;e=e->next) { if (!strcmp(e->key,key)) { if (hs) *hs = ss->hs; return e->val; } } } return 0; } char *read_hash(struct hash_struct *hs,char *key) { struct hash_entry *e; int i; i = hash_index(key,hs->size); for(e=hs->entries[i];e;e=e->next) { if (!strcmp(e->key,key)) return e->val; } return 0; } char *write_hash(struct hash_struct *hs,const char *key,const char *val) { struct hash_entry *e; char *str2; int i; i = hash_index(key,hs->size); for(e=hs->entries[i];e;e=e->next) { if (!strcmp(e->key,key)) { str2 = e->val; if (e->val) free(e->val); if (val) { e->val = strdup(val); } else { e->val = 0; } return str2; } } e = (struct hash_entry *)calloc(sizeof(struct hash_entry),1); e->next = hs->entries[i]; e->key = strdup(key); if (val) e->val = strdup(val); hs->entries[i] = e; return 0; } int free_hash(struct hash_struct *hs) { int i; int e2; struct hash_entry *e,*ee; e2 = hs->size; for (i=0;ientries[i];e;e=ee) { if (e->val) free(e->val); free(e->key); ee = e->next; free((char *)e); } } free ((char *)hs); return 0; } ./arbsrc_9167/AISC/aisc_proto.h0000644012664100000130000000321611440743000016164 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef AISC_PROTO_H #define AISC_PROTO_H #ifndef P_ # if defined(__STDC__) || defined(__cplusplus) # define P_(s) s # else # define P_(s) () # endif #else # error P_ already defined elsewhere #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* aisc.c */ char *read_aisc_file P_((char *path)); CL *make_CL P_((void)); AD *read_aisc P_((char **in)); /* aisc_commands.c */ void print_error_internal P_((const char *err, const char *launcher_file, int launcher_line)); void print_warning_internal P_((const char *err, const char *launcher_file, int launcher_line)); const char *formatted P_((const char *format, ...)) __ATTR__FORMAT(1); void aisc_remove_files P_((void)); int do_com_push P_((const char *str)); int run_prg P_((void)); /* aisc_mix.c */ CL *aisc_calc_blocks P_((CL *co, CL *afor, CL *aif, int up)); int aisc_calc_special_commands P_((void)); struct hash_struct *create_hash P_((int size)); char *read_hash_local P_((char *key, struct hash_struct **hs)); char *read_hash P_((struct hash_struct *hs, char *key)); char *write_hash P_((struct hash_struct *hs, const char *key, const char *val)); int free_hash P_((struct hash_struct *hs)); /* aisc_var_ref.c */ AD *aisc_find_var_hier P_((AD *cursor, char *str, int next, int extended, int goup)); AD *aisc_find_var P_((AD *cursor, char *str, int next, int extended, int goup)); char *get_var_string P_((char *var)); #ifdef __cplusplus } #endif #undef P_ #else #error aisc_proto.h included twice #endif /* AISC_PROTO_H */ ./arbsrc_9167/AISC/aisc_var_ref.c0000644012664100000130000001404211440743000016437 0ustar arb_buildcoders#include #include #include /* #include */ #include "aisc.h" static AD *aisc_match(AD * var, char *varid, char *varct) { if (varid) { if (strcmp(var->key, varid)) { return 0; } } if (varct) { if (var->sub) { return 0; } if (strcmp(var->val, varct)) { return 0; } } return var; } #define NEXT_ITEM(se,extended) if (extended) { \ if (se->next_item) se = se->next_item; \ else se=se->first_item->next_line; \ }else{ \ se = se->next_item; \ } AD *aisc_find_var_hier(AD * cursor, char *str, int next, int extended, int goup) { char *slash; AD *found; if (*str == '/') { cursor = 0; str++; } slash = strchr(str, '/'); found = 0; while (slash) { *(slash++) = 0; found = aisc_find_var(cursor, str, next, extended, goup); if (!found) return 0; if (!found->sub) { return 0; } cursor = found->sub; goup = 0; extended = 1; str = slash; slash = strchr(str, '/'); next = 0; } found = aisc_find_var(cursor, str, next, extended, goup); return found; } AD *aisc_find_var(AD * cursor, char *str, int next, int extended, int goup) { /* if next = 1 search next entry * else search all * if extended != 0 search in parallel sentences, * if goup search whole upper hierarchy */ AD *se, *line; AD *found; char *varid, *varct; char *pp, *buf; found = 0; if (cursor) { line = cursor; } else { line = gl->root; } pp = strchr(str, '.'); if (!pp) { varid = strdup(str); varct = 0; } else { buf = strdup(str); pp = strchr(buf, '.'); *(pp++) = 0; if ((!strcmp(buf, "*")) || (!buf[0])) { varid = 0; } else { varid = strdup(buf); } if ((!strcmp(pp, "*")) || (!pp[0])) { varct = 0; } else { varct = strdup(pp); } free(buf); } while (line && !found) { if (next) { NEXT_ITEM(line, extended); } else { if (extended) { line = line->first_item->first_line; } else { line = line->first_item; } } for (se = line; se;) { if ( (found = aisc_match(se, varid, varct))) { break; } NEXT_ITEM(se, extended); } if (goup) { line = line->first_item->first_line->father; } else { line = 0; } } if (varid) free(varid); if (varct) free(varct); return found; } char * get_var_string(char *var) /* Berechnet zu einem Ausdruch der Form $(IDENT:fdg|"sdfg") das Ergebnis */ { AD *cur; char *doppelpunkt; char *bar; char *nextdp; char *finds; int len; int findl; int replacel; int offset; int use_path; char *in, *buf1, *buf2; READ_SPACES(var); use_path = 0; while (var[0] == '&') { use_path++; var++; READ_SPACES(var); } doppelpunkt = strchr(var, ':'); if (doppelpunkt) *(doppelpunkt++) = 0; bar = strchr(var, '|'); if (bar) *(bar++) = 0; in = read_hash_local(var,0); if (in) { in = strdup(in); } else { cur = aisc_find_var_hier(gl->cursor, var, 0, 0, 1); if (!cur) { if (!bar) { if (gl->pc->command == IF) { return 0; } /* fprintf(stderr, "%s: ", var); */ printf_error("Ident '%s' not found", var); return 0; } return strdup(bar); } if (use_path) { in = strdup(cur->key); if (use_path == 1) { } else { while (cur->first_item->first_line->father) { cur = cur->first_item->first_line->father; len = strlen(in) + strlen(cur->key); buf1 = (char *) calloc(sizeof(char), len + 2); sprintf(buf1, "%s/%s", cur->key, in); free(in); in = buf1; } } } else { if (cur->sub) { printf_error("Ident '%s' is a hierarchical type", var); return 0; } else { if (cur->val) { in = strdup(cur->val); }else{ in = strdup(""); } } } } if (!doppelpunkt) return in; len = strlen(in); while (doppelpunkt) { nextdp = strchr(doppelpunkt, ':'); if (nextdp) *(nextdp++) = 0; if (!doppelpunkt[0]) { print_error("Ident replacement is missing an '='"); return 0; } bar = strchr(doppelpunkt+1, '='); if (bar) { *(bar++) = 0; } else { print_error("Ident replacement is missing an '='"); return 0; } findl = strlen(doppelpunkt); replacel = strlen(bar); for (finds = strstr(in, doppelpunkt); finds; finds = strstr(buf2, doppelpunkt)) { len += replacel - findl; buf1 = (char *) calloc(sizeof(char), len + 1); offset = finds - in; memcpy(buf1, in, offset); memcpy(buf1 + offset, bar, replacel); buf2 = buf1 + offset + replacel; memcpy(buf2, in + offset + findl, len - replacel - offset); free(in); in = buf1; buf2 = in + offset + replacel; } doppelpunkt = nextdp; } return in; } ./arbsrc_9167/AISC_COM/AISC/aisc_com.pa0000644012664100000130000002034111440743000017163 0ustar arb_buildcoders IF $(argc) = 4 ELSE ERROR Falsche Parameteranzahl: Syntax aisc xxx.pa xxx.aisc outfile ENDIF DATA AISC { $(#FILE $(argv[2])) }; OPEN save $(argv[3]) MOVETO $(AISC/PROJECT) IF $(MYTABSTOP) TABSTOP $(MYTABSTOP) ELSE TABSTOP 8 ENDIF TAB 0 0 TAB 1 8 TAB 2 16 TAB 3 24 TAB 4 32 TAB 5 40 TAB 6 48 TAB 7 56 TAB 8 64 TAB 9 70 OUT save MOVETO $(DATA/.) P /********************************************************************* P * Created automagically from $(argv[2]) P * using aisc-script 'aisc_com.pa' P * DO NOT EDIT THIS FILE!!! P *********************************************************************/$n P #ifndef AISC_MAX_OBJECT P #define AISC_MAX_OBJECT $(MAX_OBJECT) P #define AISC_MAX_ATTR $(MAX_KEY) P #define MAX_AISC_SET_GET $(MAX_PAR_CNT) P #define AISC_MAX_STRING_LEN $(MAX_STRING_LEN) P #define AISC_MESSAGE_BUFFER_LEN ((AISC_MAX_STRING_LEN/4+3)*($(MAX_PAR_CNT)+2)) P #define AISC_MAGIC_NUMBER $(MAGIC_NUMBER)00 P $ntypedef struct struct_aisc_com { P $1int$2socket; P $1int$2message_type; P $1char$2*message; P $1int$2*message_queue; P $1int$2magic; P $1char$2*error;$n} aisc_com; P #ifndef _AISC_BYTESTRING P #define _AISC_BYTESTRING P $ntypedef struct struct_bytestring { P $1char$2*data; P $1int$2size;$n} bytestring; P #endif P #ifdef __cplusplus P const int $1AISC_GET$3= (int)AISC_MAGIC_NUMBER$6+ 0; P const int $1AISC_SET$3= (int)AISC_MAGIC_NUMBER$6+ 1; P const int $1AISC_NSET$3= (int)AISC_MAGIC_NUMBER$6+ 2; P const int $1AISC_CREATE$3= (int)AISC_MAGIC_NUMBER$6+ 3; P const int $1AISC_FIND$3= (int)AISC_MAGIC_NUMBER$6+ 4; P const int $1AISC_COPY$3= (int)AISC_MAGIC_NUMBER$6+ 5; P const int $1AISC_DELETE$3= (int)AISC_MAGIC_NUMBER$6+ 6; P const int $1AISC_INIT$3= (int)AISC_MAGIC_NUMBER$6+ 7; P const int $1AISC_DEBUG_INFO$3= (int)AISC_MAGIC_NUMBER$6+ 8; P #else P $nenum aisc_command_list { P $1AISC_GET$3= AISC_MAGIC_NUMBER$6+ 0, P $1AISC_SET$3= AISC_MAGIC_NUMBER$6+ 1, P $1AISC_NSET$3= AISC_MAGIC_NUMBER$6+ 2, P $1AISC_CREATE$3= AISC_MAGIC_NUMBER$6+ 3, P $1AISC_FIND$3= AISC_MAGIC_NUMBER$6+ 4, P $1AISC_COPY$3= AISC_MAGIC_NUMBER$6+ 5, P $1AISC_DELETE$3= AISC_MAGIC_NUMBER$6+ 6, P $1AISC_INIT$3= AISC_MAGIC_NUMBER$6+ 7, P $1AISC_DEBUG_INFO$3= AISC_MAGIC_NUMBER$6+ 8, P }; P #endif P #ifdef __cplusplus P const int $1AISC_CCOM_OK$3= AISC_MAGIC_NUMBER$6+ 0; P const int $1AISC_CCOM_ERROR$3= AISC_MAGIC_NUMBER$6+ 1; P const int $1AISC_CCOM_MESSAGE$3= AISC_MAGIC_NUMBER$6+ 2; P #else P $nenum aisc_client_command_list { P AISC_CCOM_OK$3= AISC_MAGIC_NUMBER$6+ 0, P AISC_CCOM_ERROR$3= AISC_MAGIC_NUMBER$6+ 1, P AISC_CCOM_MESSAGE$3= AISC_MAGIC_NUMBER$6+ 2, P }; P #endif P #endif FOR $(ENUM) IF $(SKEY) CREATE $(my_attribute[$(ENUM)]) $(OBJECT_KEY)_ATTR_$(SKEY) ENDIF # P typedef enum enum_$(ENUM) { # FOR $({/VAR) # IF $(VAL) # P $2$(VAR)$3=$4 $(VAL),$\ # ELSE # P $2$(VAR),$\ # ENDIF # P $6/* $(DOCU)$8*/ # ENDFOR # P } $(ENUM); ENDFOR P $n FOR $(STRUCT) IF $(JOINED) ELSEIF $(SKEY) P typedef long T_$(OBJECT_KEY)_$(SKEY); ENDIF ENDFOR P $n$n P #define $(OBJECT_KEY)_ATTR_INT(a,b)$6( (a+b) | 0x1000000 ) FOR $(ENUM) IF $(SKEY) P #define $(OBJECT_KEY)_ATTR_$(SKEY)(a,b)$6( (a+b) | 0x1000000 ) ENDIF ENDFOR P #define $(OBJECT_KEY)_ATTR_DOUBLE(a,b)$6( (a+b) | 0x2000000 ) P #define $(OBJECT_KEY)_ATTR_STRING(a,b)$6( (a+b) | 0x3000000 ) CREATE $(my_attribute[char]) $(OBJECT_KEY)_ATTR_INT CREATE $(my_attribute[int]) $(OBJECT_KEY)_ATTR_INT CREATE $(my_attribute[func]) $(OBJECT_KEY)_ATTR_INT CREATE $(my_attribute[t_key]) $(OBJECT_KEY)_ATTR_INT CREATE $(my_attribute[dllheader_ext]) $(OBJECT_KEY)_ATTR_INT CREATE $(my_attribute[double]) $(OBJECT_KEY)_ATTR_DOUBLE CREATE $(my_attribute[aisc_string]) $(OBJECT_KEY)_ATTR_STRING CREATE $(my_attribute[bytestring]) $(OBJECT_KEY)_ATTR_BYTES FOR $(STRUCT) IF $(JOINED) ELSEIF $(SKEY) P #define $(OBJECT_KEY)_ATTR_$(SKEY)(a,b)$6( (a+b) | 0x4000000 ) CREATE $(my_attribute[$(STRUCT)]) $(OBJECT_KEY)_ATTR_$(SKEY) ENDIF ENDFOR P #define $(OBJECT_KEY)_ATTR_BYTES(a,b)$6( (a+b) | 0x5000000 ) P $n$ntypedef enum Attributes_Header_List { FOR $(STRUCT) IF $(JOINED) ELSEIF $(SKEY) P $1$(OBJECT_KEY)_$(SKEY)$5=$6$(SKEYC)*0x10000, ENDIF ENDFOR P $1$(OBJECT_KEY)_MAX$5=$6$(MAX_OBJECT)*0x10000, P $1$(OBJECT_KEY)_INDEX$5=$60x1ff0000 P } Aisc_Objekt_Type;$n$n CREATE $(A) CREATE $(add) 0 CREATE $(str) 0 CREATE $(skey) 0 CREATE $(struct) 0 CREATE $(com) FOR $(STRUCT) IF $(SKEY) PUSH IF $(JOINED) ELSE P /************$2$(SKEY)$4*************/ P typedef enum { ENDIF SET $(skey) $(SKEY) SET $(struct) $(STRUCT) CALL struct_attr,0,$1$(SKEY)_,/* IF $(JOIN_NEXT) ELSE P $1$(SKEY)_LASTATTR$4= 0 P } $(OBJECT_KEY)_$(SKEY)_Attribute;$n ENDIF POP ENDIF ENDFOR CLOSE save EXIT FUNCTION struct_attr,a,s,c FOR $({/TYPE) IF $(KEY) IF $(TYPE) = dllh P $(s)PRED$4= $\ P $(my_attribute[$(struct)])$\ P $6($(OBJECT_KEY)_$(skey),$8$(+ $(a)+$(KEYC))),$9/* DO */ P $(s)NEXT$4= $\ P $(my_attribute[$(struct)])$\ P $6($(OBJECT_KEY)_$(skey),$8$(+ 1+$(+ $(a)+$(KEYC)))),$9$(c) */ SET $(add) $(+ $(a)+$(KEYC)) SET $(add) $(+ 2+$(add)) SET $(str) $(s)$(KEY) PUSH MOVETO $(/AISC/DATA/STRUCT.dll_header) CALL struct_attr,$(add),$(str),$(c) H POP ELSEIF $(REF) ~ s SET $(add) $(+ $(a),$(KEYC)) SET $(str) $(s)$(KEY) SET $(com) $(c) S PUSH MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) CALL struct_attr,$(add),$(str),$(com) POP ELSE IF $(REF) ~ d SET $(com) $(c) DL ELSEIF $(REF) ~ v SET $(com) $(c) [$(SIZE)] ELSEIF $(REF) ~ * SET $(com) $(c) [] ELSEIF $(TYPE) = func SET $(com) $(c) FUNC ELSE SET $(com) $(c) ENDIF IF $(my_attribute[$(TYPE)]) P $(s)$(KEY)$4= $\ P $(my_attribute[$(TYPE)])$\ P $6($(OBJECT_KEY)_$(skey),$8$(+ $(a)+$(KEYC))),$9$(com) */ ELSE ERROR TYPE $(TYPE) unknown, no key build ENDIF IF $(REF) ~ d P $(s)$(KEY)_CNT$4= $\ P $(my_attribute[int])$\ P $6($(OBJECT_KEY)_$(skey),$8$(+ 1,$(+ $(a)+$(KEYC)))),$9$(com) */ ENDIF ENDIF ENDIF ENDFOR RETURN ./arbsrc_9167/AISC_COM/AISC/aisc_debug_globals.pa0000644012664100000130000000706511440743000021206 0ustar arb_buildcoders IF $(argc) = 5,6 ELSE ERROR Falsche Parameteranzahl: Syntax aisc xxx.pa xxx.aisc outfile exeternfile [import_proto] ENDIF # ************** LOAD DATA ************** DATA AISC { $(#FILE $(argv[2])) }; OPEN save $(argv[3]) # ************** TABSTOPS *************** TABSTOP 8 CREATE $(i) FOR $(i) = 0 TO 9 TAB $(i) $(* 8,$(i)) ENDFOR # ************** SET CURSOR ********** MOVETO $(AISC/PROJECT) OUT save MOVETO $(DATA/.) P /********************************************************************* P * Created automagically from $(argv[2]) P * using aisc-script 'aisc_debug_globals.pa' P * DO NOT EDIT THIS FILE!!! P *********************************************************************/$n # ************** PRINT INCLUDES ********** #P #include P #include P #include P #include P extern int aisc_core_on_error; P extern aisc_com *aisc_client_link; P #ifdef __cplusplus P extern "C" { P char *aisc_debug_local(aisc_com *,enum Attributes_Header_List, void *,const char *, ...); P } P #else P char *aisc_debug_local(); P #endif # ************** BUILD CALLING FUNCTION FOR EACH STRUCTURE ********** CREATE $(str) 0 CREATE $(keys) FOR $(STRUCT) IF $(SKEY) P $n$n/* ********** $(SDOCU|$(STRUCT)) ***************/ P static char *aisc_debug_$(STRUCT)(aisc_com *link,void *object) P { PUSH SET $(keys) # ************** BUILD KEY_LIST ********** CALL struct_attr,$(SKEY)_ POP P $1return aisc_debug_local(link,$(OBJECT_KEY)_$(SKEY),object, P $1"$(keys)undef", P $1$(keys)(long)0); P }$n ENDIF ENDFOR # ************** BUILD MAIN DEBUG FUNCTION ********** P const char *md2(void *object) P { P $1static int key;$n$1char *s;$n$1aisc_com *link; P $1link = aisc_client_link;aisc_core_on_error = 0; P $1if (aisc_get(link,$(OBJECT_KEY)_COMMON, (long)object, P $1COMMON_KEY, &key,NULL)) P $2{ aisc_core_on_error = 1; P $2return "unknown object"; P $1}; P $1switch(key) { FOR $(STRUCT) IF $(JOINED) ELSEIF $(SKEY) P $2 case $(OBJECT_KEY)_$(SKEY):$5s=aisc_debug_$(STRUCT)(link,object);break; ENDIF ENDFOR P $2 default:$5s = 0; break; P $1}; P $1 aisc_core_on_error = 1; P $1 return s; P } CLOSE save EXIT # ************** BUILD KEY_LIST ********** FUNCTION struct_attr,s FOR $({/TYPE) IF $(KEY) IF $(REF) ~ %,*,v ELSEIF $(TYPE) = dllh SET $(keys) $(keys)$(s)PRED,$(s)NEXT, SET $(str) $(s)$(KEY) PUSH MOVETO $(/AISC/DATA/STRUCT.dll_header) CALL struct_attr $(str) POP ELSEIF $(REF) ~ s SET $(str) $(s)$(KEY) PUSH MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) CALL struct_attr $(str) POP ELSEIF $(REF) ~ e,t,d SET $(keys) $(keys)$(s)$(KEY), ENDIF ENDIF ENDFOR RETURN ./arbsrc_9167/AISC_COM/AISC/aisc_global.pa0000644012664100000130000001766111440743000017660 0ustar arb_buildcodersIF $(argc) = 5,6 ELSE ERROR Falsche Parameteranzahl: Syntax aisc xxx.pa xxx.aisc outfile extern_file ENDIF DATA AISC { $(#FILE $(argv[2])) }; OPEN save $(argv[3]) TABSTOP 8 TAB 0 0 TAB 1 8 TAB 2 16 TAB 3 24 TAB 4 32 TAB 5 40 TAB 6 48 TAB 7 56 TAB 8 64 TAB 9 72 MOVETO $(AISC/PROJECT) CREATE $(pre) = $(OBJECT_KEY)_ CREATE $(max_key) = $(MAX_KEY) CREATE $(max_obj) = $(MAX_OBJECT) OUT save MOVETO $(DATA/.) P /********************************************************************* P * Created automagically from $(argv[2]) and $(argv[4]) P * using aisc-script 'aisc_global.pa' P * DO NOT EDIT THIS FILE!!! P *********************************************************************/$n P #include "aisc_func_types.h"$n P #ifdef __cplusplus P #define __P(destroy_func) extern "C" aisc_callback_func_proto(destroy_func); P #else P #define __P(destroy_func) aisc_callback_func_proto(destroy_func); P #endif ########### generate object names struct ########### CREATE $(i) FOR $(i) = 0 TO $(max_obj) CREATE $(list2[$(i)]) = $10, ENDFOR FOR $(i) = 0 TO $(max_key) CREATE $(list[$(i)]) = $10, ENDFOR P const char *aisc_object_names[] = { FOR $(STRUCT) IF $(SKEY) SET $(list2[$(SKEYC)]) = $1"$(pre)$(SKEY)", ENDIF ENDFOR FOR $(i) = 0 TO $(max_obj) P $(list2[$(i)]) ENDFOR P $10$n};$n ############# generate attribute names structs ################# CREATE $(nummer) CREATE $(aisc_string) FOR $(STRUCT) IF $(SKEY) GOSUB clearlist SET $(nummer) = 0 SET $(aisc_string) = $(pre)$(SKEY)_ P static const char *$(pre)$(STRUCT)_attribut_names[] = { GOSUB make_attr_names GOSUB printlist P $10$n};$n ENDIF ENDFOR P $n ############## generate attribut names struct list ############# GOSUB clearobjlist P const char *aisc_attribut_names_list[] = { FOR $(STRUCT) IF $(SKEY) SET $(list2[$(SKEYC)]) = $1(const char *)$(pre)$(STRUCT)_attribut_names ENDIF ENDFOR GOSUB printobjlist P $10$n};$n ############# generate function structs ################### P typedef int* (*talking_function)(int *x, ...); P typedef talking_function *talking_function_ptr; FOR $(STRUCT) P extern talking_function aisc_talking_functions_create_$(STRUCT)[]; P //extern int *((*(aisc_talking_functions_create_$(STRUCT)[]))()); P extern int *((*(aisc_talking_functions_get_$(STRUCT)[]))()); P extern int *((*(aisc_talking_functions_find_$(STRUCT)[]))()); P extern int *((*(aisc_talking_functions_copy_$(STRUCT)[]))()); P extern int ((*(aisc_talking_functions_set_$(STRUCT)[]))()); P __P(destroy_$(STRUCT))$n ENDFOR ################## generate d flags ##################### P int aisc_d_flags[] = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(i) = 0 FOR $({/TYPE) IF $(TYPE) = dllh SET $(i) = 1 ENDIF ENDFOR SET $(list[$(SKEYC)]) = $1$(i),$6/* $(SKEY) */ ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ################## generate get tables ##################### P int *((**(aisc_talking_functions_get[]))()) = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(list[$(SKEYC)]) = $1aisc_talking_functions_get_$(STRUCT), ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ################## generate set tables ##################### P int ((**(aisc_talking_functions_set[]))()) = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(list[$(SKEYC)]) = $1aisc_talking_functions_set_$(STRUCT), ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ################## generate find tables ##################### P int *((**(aisc_talking_functions_find[]))()) = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(list[$(SKEYC)]) = $1aisc_talking_functions_find_$(STRUCT), ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ################## generate copy tables ##################### P int *((**(aisc_talking_functions_copy[]))()) = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(list[$(SKEYC)]) = $1aisc_talking_functions_copy_$(STRUCT), ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ################## generate create tables ##################### #P int *((**(aisc_talking_functions_create[]))()) = { P talking_function* aisc_talking_functions_create[] = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(list[$(SKEYC)]) = $1aisc_talking_functions_create_$(STRUCT), ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ################## generate delete tables ##################### #P int ((*(aisc_talking_functions_delete[]))()) = { P aisc_callback_func aisc_talking_functions_delete[] = { FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10, ENDFOR FOR $(STRUCT) IF $(SKEY) SET $(list[$(SKEYC)]) = $1destroy_$(STRUCT), ENDIF ENDFOR FOR $(i) = 0 TO $(max_key) P $(list[$(i)]) ENDFOR P $10$n};$n ##################### FINISH ########################## P #undef __P CLOSE save EXIT ###################### FUNCTIONS ############################ ###################### FUNCTIONS ############################ ###################### FUNCTIONS ############################ ################ make_attr_names (rek.) #################### FUNCTION make_attr_names CREATE $(nr) = $(nummer) CREATE $(s) = $(aisc_string) FOR $({/TYPE) IF $(KEY) IF $(REF) ~ s PUSH SET $(nummer) = $(+ $(nr)+$(KEYC) ) SET $(aisc_string) = $(s)$(KEY)_ MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) GOSUB make_attr_names POP ELSEIF $(REF) ~ d SET $(list[$(+ $(+ $(nr)+1)+$(KEYC))])=$1"$(s)$(KEY)CNT" SET $(list[$(+ $(nr)+$(KEYC))]) = $1"$(s)$(KEY)" ELSEIF $(TYPE) = dllh PUSH SET $(nummer) = $(+ 2+$(+ $(nr)+$(KEYC) )) SET $(aisc_string) = $(s)$(KEY) MOVETO $(/AISC/DATA/STRUCT.dll_header) GOSUB make_attr_names POP SET $(list[$(+ $(nr)+0)]) = $1"$(s)PREVIOUS" SET $(list[$(+ $(nr)+1)]) = $1"$(s)NEXT" ELSE SET $(list[$(+ $(nr)+$(KEYC))]) = $1"$(s)$(KEY)" ENDIF ENDIF ENDFOR RETURN ############### SUB CLEAR LIST ######################### FUNCTION clearlist FOR $(i) = 0 TO $(max_key) SET $(list[$(i)]) = $10 ENDFOR RETURN ############### SUB PRINT LIST ######################### FUNCTION printlist FOR $(i) = 0 TO $(max_key) P $1$(list[$(i)]), ENDFOR RETURN ############### SUB CLEAR LIST ######################### FUNCTION clearobjlist FOR $(i) = 0 TO $(max_obj) SET $(list2[$(i)]) = $10 ENDFOR RETURN ############### SUB PRINT OBJ LIST ######################### FUNCTION printobjlist FOR $(i) = 0 TO $(max_obj) P $1$(list2[$(i)]), ENDFOR RETURN ./arbsrc_9167/AISC_COM/AISC/aisc.pa0000644012664100000130000001146011440743000016327 0ustar arb_buildcoders# It is very important, that you set the TABSTOP to the correct tabsize of your editor, # overwise the PRINT Command will probably make some errors IF $(argc) = 4 ELSE ERROR Falsche Parameteranzahl: Syntax aisc xxx.pa xxx.aisc outfile ENDIF DATA AISC { $(#FILE $(argv[2])) }; MOVETO $(AISC/PROJECT) OPEN save $(argv[3]) # *********************************** IDENTS *************** CREATE $(i) CREATE $(replace) IF $(MYTABSTOP) TABSTOP $(MYTABSTOP) ELSE TABSTOP 8 ENDIF TAB 0 0 TAB 1 8 TAB 2 16 TAB 3 24 TAB 4 32 TAB 5 40 TAB 6 48 TAB 7 56 TAB 8 64 TAB 9 72 OUT save MOVETO $(DATA/.) P /********************************************************************* P * Created automagically from $(argv[2]) P * using aisc-script 'aisc.pa' P * DO NOT EDIT THIS FILE!!! P *********************************************************************/$n P #ifndef AISC_GEN_SERVER_INCLUDED P #define AISC_GEN_SERVER_INCLUDED$n P typedef int hash; P typedef char *aisc_string; P typedef const char *aisc_cstring; P #define _AISC_BYTESTRING P typedef struct struct_bytestring { P char *data; P int size; P } bytestring; P $(INCLUDE_INCLUDES) P /******************* SOME CONSTANTS *******************/ FOR $(CONST) P #define $(CONST) $3$(VALUE) $6/* $(DOCU) $8*/ ENDFOR P P /******************* THE ENUMS *******************/ FOR $(ENUM) P $n$1/************** $(SDOCU|$(ENUM)) **************/ P typedef enum enum_$(ENUM) { FOR $({/VAR) IF $(VAL) P $2$(VAR)$3=$4 $(VAL),$\ ELSE P $2$(VAR),$\ ENDIF IF $(DOCU) P $6/* $(DOCU)$8*/ ELSE P ENDIF ENDFOR P } $(ENUM);$n ENDFOR P /******************* THE KEYS *******************/ P typedef enum enum_t_key { FOR $(STRUCT) IF $(JOINED) ELSEIF $(SKEY) P $1KEY_$(OBJECT_KEY)_$(SKEY) = $(SKEYC)*0x10000, ENDIF ENDFOR P $1KEY_MAX$n} t_key; CREATE $(pre) CREATE $(suf) FOR $(STRUCT) P $n$1/************** $(SDOCU|$(STRUCT)) **************/ CALL pre_structh P typedef struct struct_$(STRUCT) { SET $(replace) CALL structh P } $(STRUCT); ENDFOR P $n/************************** some privat structures **************/ FOR $(STRUCT.dll_public) CALL pre_structh P typedef struct struct_dllpublic_ext { SET $(replace) :dll_header=dllheader_ext:dll_public=dllpublic_ext CALL structh P $2struct struct_dllheader_ext $5*first; P }$1dllpublic_ext; NEXT ERROR struct dll_public is missing ENDFOR FOR $(STRUCT.dll_header) CALL pre_structh P typedef struct struct_dllheader_ext { SET $(replace) :dll_header=dllheader_ext:dll_public=dllpublic_ext CALL structh P $2struct struct_dllheader_ext $5*previous, *next; P } dllheader_ext; NEXT ERROR struct dll_header is missing ENDFOR P extern const char *aisc_server_error; P #else P #error header included twice P #endif /* AISC_GEN_SERVER_INCLUDED */ CLOSE save EXIT FUNCTION structh FOR $({/TYPE) SET $(pre) SET $(suf) IF $(TYPE) = dllh P $2dll_header$4mh; P $2struct struct_$(STRUCT)$4*previous, *next; ELSEIF $(REF) ~ % ELSE IF $(REF) ~ * SET $(pre) * ELSEIF $(REF) ~ v SET $(suf) [$(SIZE|NO SIZE DEFINED)] ENDIF IF $(REF) ~ d P $2dll_public$4p$(IDENT); ENDIF IF $(REF) ~ d,r,l,o SET $(pre) $(pre)* ENDIF IF $(REF) ~ f P $2struct struct_$(TYPE|NO TYPE FOUND$(replace)) $4$\ ELSE P $2$(TYPE|NO TYPE FOUND$(replace)) $4$\ ENDIF P $(pre)$(IDENT)$(suf)$\ P ;$6/* $(DOCU| *** )$8*/ ENDIF ENDFOR RETURN FUNCTION pre_structh FOR $({/TYPE) IF $(TYPE) = dllh ELSEIF $(REF) ~ % ELSE IF $(REF) ~ f P struct struct_$(TYPE|NO TYPE FOUND$(replace)); ENDIF ENDIF ENDFOR RETURN ./arbsrc_9167/AISC_COM/AISC/aisc_server.pa0000644012664100000130000013117111440743000017717 0ustar arb_buildcoders IF $(argc) = 6 ELSE ERROR Falsche Parameteranzahl: Syntax aisc xxx.pa xxx.aisc externfile.aisc outfile import_proto ENDIF DATA AISC { $(#FILE $(argv[2])) }, EXTERN { $(#FILE $(argv[4])) }; OPEN save $(argv[3]) OPEN import $(argv[5]) # ************************* SET EXTERN FUNCTIONS *************************** MOVETO $(EXTERN/.) OUT save FOR $(FUNCTION) CREATE $(extern_$(FUNCTION)) NEXT PP no extern Functions found ENDFOR # *************************************************************************** MOVETO $(/AISC/PROJECT) OUT import P /********************************************************************* P * Created automagically from $(argv[2]) and $(argv[4]) P * using aisc-script 'aisc_server.pa' P * DO NOT EDIT THIS FILE!!! P *********************************************************************/$n OUT save MOVETO $(DATA/.) P /********************************************************************* P * Created automagically from $(argv[2]) and $(argv[4]) P * using aisc-script 'aisc_server.pa' P * DO NOT EDIT THIS FILE!!! P *********************************************************************/$n P $(#FILE C/aisc_server.h)$n TABSTOP 8 TAB 0 0 TAB 1 8 TAB 2 16 TAB 3 24 TAB 4 32 TAB 5 40 TAB 6 48 TAB 7 56 TAB 8 64 TAB 9 72 CREATE $(v) = % CREATE $(i) = 0 CREATE $(sp) = 0 # Tabellen initialisieren FOR $(i) = 0 TO $(MAX_KEY) CREATE $(set_list[$(i)]) 0, CREATE $(get_list[$(i)]) 0, CREATE $(create_list[$(i)]) 0, CREATE $(find_list[$(i)]) 0, CREATE $(copy_list[$(i)]) 0, ENDFOR # Variablen deklarieren CREATE $(add) CREATE $(conds) CREATE $(func) CREATE $(access) CREATE $(maintype) CREATE $(conds_init) CREATE $(index) # P /************* MALLOC ******************/ FOR $(STRUCT) P $(STRUCT) *create_$(STRUCT)()$\ IF $(extern_create_$(STRUCT)) P ; ELSE P $n$1{$n$1$(STRUCT) *THIS$5= ($(STRUCT) *)calloc(sizeof($(STRUCT)), 1); P $1if(!THIS){ aisc_server_error = "Malloc error in create_$(STRUCT) !"; return 0;} SET $(maintype) $(STRUCT) SET $(access) THIS-> GOSUB init_structure P $1return THIS; }$n ENDIF ENDFOR P /************* MOVE ******************/ FOR $(STRUCT) P int move_$(STRUCT)($(STRUCT) *sobj,$(STRUCT) *dobj)$\ IF $(extern_move_$(STRUCT)) P ; ELSE P { #int i = 0; SET $(maintype) $(STRUCT) GOSUB move_structure P $1return 0; }$n ENDIF ENDFOR P /************* COPY ******************/ FOR $(STRUCT) P $(STRUCT) *copy_$(STRUCT)($(STRUCT) *sobj)$\ IF $(extern_copy_$(STRUCT)) P ; ELSE P { P $1$(STRUCT) *dobj; P $1if(!sobj) return 0; P $1dobj$5= create_$(STRUCT)(); P $1if(!dobj){ aisc_server_error = "Malloc error in copy_$(STRUCT) !"; return 0;} P $1trf_create((long)sobj,(long)dobj); P $1if (move_$(STRUCT)(sobj,dobj)) return 0; P $1return dobj; }$n ENDIF ENDFOR # /************* DELETE ******************/ IF $(extern_destroy_char) P void destroy_char(char *obj); ELSE P void destroy_char(char *obj){ free(obj); } ENDIF FOR $(STRUCT) P void destroy_$(STRUCT)($(STRUCT) *obj)$\ IF $(extern_destroy_$(STRUCT)) P ; ELSE P { PUSH MOVETO $({/.) IF $(TYPE) = dllh P $1if (obj->$(IDENT).parent) { P $2aisc_unlink((dllheader_ext*)obj); P $2if (aisc_server_error) return; P $1} ENDIF POP SET $(maintype) $(STRUCT) SET $(access) obj-> SET $(index) # GOSUB delete_structure P $1free((char *)obj); P }$n ENDIF ENDFOR P /************** SAVE and LOAD **************/ P #ifdef AISC_SAVE_YES CREATE $(TOKENSIZE) 1024 GOSUB save_token CREATE $(prekey) FOR $(STRUCT) P int save_$(STRUCT)($(STRUCT) *THIS, FILE *THIS_FD)$\ IF $(extern_save_$(STRUCT)) P ; ELSE P {$n SET $(maintype) $(STRUCT) SET $(access) THIS-> GOSUB save_structure P $1return 0; P $1}$n ENDIF ENDFOR GOSUB load_token FOR $(STRUCT) P int load_$(STRUCT)($(STRUCT) *THIS, FILE *THIS_FD)$\ IF $(extern_load_$(STRUCT)) P ; ELSE P {$n P $1char token[$(TOKENSIZE)+1]; P $1while (!aisc_server_load_token(THIS_FD,token,$(TOKENSIZE))) { P $2if (*token == '}') { return 0; # the } symbol is }else if SET $(maintype) $(STRUCT) SET $(access) THIS-> GOSUB load_structure P $2}else{ P $3printf("Undefined Token %s\n",token); P $2} /* if token */ P $1} /*while */ P $1return 0; P $1}$n ENDIF ENDFOR P #endif # /************* GET SET CREATE FIND COPY ******************/ FOR $(STRUCT) IF $(SKEY) P /************* FUNCTIONS $(STRUCT) *****************/$n IF $(JOINED) ELSE FOR $(i) = 0 TO $(MAX_KEY) SET $(set_list[$(i)]) $10, SET $(get_list[$(i)]) $10, SET $(create_list[$(i)]) $10, SET $(find_list[$(i)]) $10, SET $(copy_list[$(i)]) $10, ENDFOR ENDIF SET $(add) 0 SET $(conds) = # SET $(func) $(SKEY)_ SET $(access) THIS-> SET $(maintype) $(STRUCT) SET $(conds_init) SET $(index) # GOSUB rec_structure IF $(JOIN_NEXT) ELSE GOSUB print_tabs ENDIF ENDIF ENDFOR CLOSE save EXIT FUNCTION rec_structure # Function name CREATE $(f) $(func) # relative key CREATE $(a) $(add) # conditions CREATE $(c) $(conds) CREATE $(ci) $(conds_init) # path CREATE $(ac) $(access) CREATE $(in) $(index) CREATE $(type) FOR $({/KEY) SET $(func) $(f)$(KEY) SET $(conds) $(c) IF $(TYPE) = dllh IF $(get_list[$(+ 0+$(+ $(a)+$(KEYC)))]) ~ 0 ELSE ERROR Number for 'get_$(func)PRED:$(KEYC)' already in use: '$(get_list[$(+ 0+$(+ $(a)+$(KEYC)))])' ENDIF SET $(get_list[$(+ 0+$(+ $(a)+$(KEYC)))]) get_$(func)PRED, P $(maintype) $1*get_$(func)PRED($(maintype)$4 *THIS)$\ IF $(extern_get_$(func)PRED) P ; ELSE P {$\ GOSUB create_access GOSUB create_condition P $3return ($(maintype) *)$(ac)previous;} ENDIF IF $(get_list[$(+ 1+$(+ $(a)+$(KEYC)))]) ~ 0 ELSE ERROR Number for 'get_$(func)NEXT:$(KEYC)' already in use: '$(get_list[$(+ 1+$(+ $(a)+$(KEYC)))])' ENDIF SET $(get_list[$(+ 1+$(+ $(a)+$(KEYC)))]) get_$(func)NEXT, P $(maintype) $1*get_$(func)NEXT($(maintype)$4 *THIS)$\ IF $(extern_get_$(func)NEXT) P ; ELSE P {$\ GOSUB create_access GOSUB create_condition P $3return ($(maintype) *)$(ac)next;} ENDIF PUSH SET $(add) $(+ 2+$(+ $(a)+$(KEYC))) SET $(access) $(ac)$(IDENT). SET $(conds_init) $(ci) MOVETO $(/AISC/DATA/STRUCT.dll_header) GOSUB rec_structure POP CONTINUE ENDIF SET $(index) $(in) SET $(access) $(ac)$(IDENT) SET $(conds_init) $(ci) IF $(REF) ~ * SET $(conds) $(conds)&&($(access)) SET $(index) $(SIZE:THIS->=$(ac)) IF $(REF) ~ o,d,l,r SET $(type) $(TYPE) * ELSE SET $(type) $(TYPE) ENDIF SET $(conds_init) $(conds_init)$3if(!$(access)) $(access) = ($(type)*)calloc(sizeof($(type)),$(index));$n SET $(access) $(access)[index] ELSEIF $(REF) ~ v SET $(index) $(SIZE:THIS->=$(ac)) SET $(access) $(access)[index] ENDIF IF $(REF) ~ s IF $(REF) ~ o,l,r SET $(conds) $(conds)&&($(access)) SET $(conds_init) $(conds_init)$3if(!$(access)) $(access) = create_$(TYPE)();$n SET $(access) $(access)-> ELSEIF $(REF) ~ i SET $(access) $(access). ENDIF PUSH SET $(add) $(+ $(a)+$(KEYC)) MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) CALL rec_structure POP CONTINUE ENDIF IF $(REF) ~ o,d # ********************************** CREATE FUNCTIONS **************************** IF $(ACC) !~ c ELSE IF $(create_list[$(+ $(a)+$(KEYC))]) ~ 0 ELSE ERROR Number for 'create_$(func):$(KEYC)' already in use: '$(create_list[$(+ $(a)+$(KEYC))])' ENDIF SET $(create_list[$(+ $(a)+$(KEYC))]) create_$(func), P $(TYPE) $1*create_$(func)($(maintype) *THIS)$\ IF $(extern_create_$(func)) P ; ELSE P {$\ P $(TYPE) *obj; CALL create_index y,0 CALL create_condition P $3obj = create_$(TYPE)(); P $3if(!obj) { aisc_server_error = "MALLOC ERROR in create_$(func)"; return 0; } P $3aisc_make_sets((long *)obj); P $3if(aisc_server_error) { P $4destroy_$(TYPE)(obj); P $4return 0; P $3} IF $(REF) ~ d P $3aisc_server_error = aisc_link((dllpublic_ext*)&($(ac)p$(IDENT)),(dllheader_ext*)obj); ELSE P $3if ($(access)) destroy_$(TYPE)($(access)); P $3$(access) = obj; ENDIF P $3return obj;} ENDIF # ********************************** COPY FUNCTIONS **************************** IF $(copy_list[$(+ $(a)+$(KEYC))]) ~ 0 ELSE ERROR Number for 'copy_$(func):$(KEYC)' already in use: '$(copy_list[$(+ $(a)+$(KEYC))])' ENDIF SET $(copy_list[$(+ $(a)+$(KEYC))]) copy_$(func), P $(TYPE) $1*copy_$(func)($(maintype)$4 *THIS)$\ IF $(extern_copy_$(func)) P ; ELSE P {$\ P $(TYPE) *obj; CALL create_index y,0 CALL create_condition P $3trf_begin(); P $3obj$4= copy_$(TYPE)($(access)); P $3trf_commit(0); P $3if(!obj) { aisc_server_error = "MALLOC ERROR in create_$(func)"; return 0; } P $3aisc_make_sets((long *)obj); P $3if(aisc_server_error) { P $4destroy_$(TYPE)(obj); P $4return 0; P $3} IF $(REF) ~ d P $3aisc_server_error = aisc_link((dllpublic_ext*)&($(ac)p$(IDENT)),(dllheader_ext*)obj); ELSE P $3if ($(access)) destroy_$(TYPE)($(access)); P $3$(access) = obj; ENDIF P $3return obj;} ENDIF ENDIF # ********************************** FIND FUNCTIONS **************************** IF $(ACC) !~ f ELSEIF $(REF) ~ d IF $(find_list[$(+ $(a)+$(KEYC))]) ~ 0 ELSE ERROR Number for 'find_$(func):$(KEYC)' already in use: '$(find_list[$(+ $(a)+$(KEYC))])' ENDIF SET $(find_list[$(+ $(a)+$(KEYC))]) find_$(func), P $(TYPE) $1*find_$(func)($(maintype)$4 *THIS,char *key)$\ IF $(extern_find_$(func)) P ; ELSE P {$\ P $(TYPE) *obj;$\ GOSUB create_access GOSUB create_condition P $3obj = ($(TYPE)*)aisc_read_hash((struct aisc_hash_node**)$(ac)p$(IDENT).hash,key); P $3return obj;} ENDIF ENDIF # ********************************** CNT FUNCTION **************************** IF $(REF) ~ d IF $(get_list[$(+ 1 +$(+ $(a)+$(KEYC)))]) ~ 0 ELSE ERROR Number for get_$(func)_CNT:$(KEYC) already in use: '$(get_list[$(+ 1 +$(+ $(a)+$(KEYC)))])' ENDIF SET $(get_list[$(+ 1 +$(+ $(a)+$(KEYC)))]) get_$(func)_CNT, IF $(extern_get_$(func)_CNT) # P ; ELSE P int $1get_$(func)_CNT($(maintype) *THIS)$\ P {$\ GOSUB create_access GOSUB create_condition P $3return $(ac)p$(IDENT).cnt;} ENDIF ENDIF #***************** SET FUNCTIONS ********************* ELSE IF $(set_list[$(+ $(a)+$(KEYC))]) ~ 0 ELSE ERROR Number for set $(KEY):$(KEYC) already in use: '$(set_list[$(+ $(a)+$(KEYC))])' ENDIF IF $(ACC) !~ w ELSEIF $(REF) ~ $(v) IF $(extern_$(IDENT)) SET $(set_list[$(+ $(a)+$(KEYC))]) $(IDENT), ELSE SET $(set_list[$(+ $(a)+$(KEYC))]) $(IDENT), OUT import # Generate Prototypes for import P extern int $1$(IDENT)($(maintype)*, $(TYPE:bytestring=bytestring *)); /* (1) */ OUT save ENDIF ELSE SET $(set_list[$(+ $(a)+$(KEYC))]) set_$(func), IF $(REF) ~ o,l,r P void $1set_$(func)($(maintype)$4 *THIS,$(TYPE) *x)$\ ELSEIF $(REF) ~ t,e P void $1set_$(func)($(maintype)$4 *THIS,$(TYPE:bytestring=bytestring *) x)$\ ELSE ERROR UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF IF $(extern_set_$(func)) P ; ELSE P { GOSUB create_index n,n GOSUB create_vterms # GOSUB create_access_noval GOSUB create_condition IF $(TYPE) = aisc_string P $3if($(access)) free($(access)); P $3$(access) = x;} ELSEIF $(TYPE) = bytestring P $3if($(access).data) free($(access).data); P $3if(x){ P $4$(access).data$6= x->data; P $4$(access).size$6= x->size; P $3}else{ P $4$(access).data$6= 0; P $4$(access).size$6= 0; P $3} P $2} ELSE IF $(REF) ~ o P $3if ($(access)) P $4destroy_$(TYPE)($(access)); ENDIF P $3$(access)$5= x;} ENDIF ENDIF ENDIF ENDIF #**************** GET FUNCTIONS ********************* IF $(get_list[$(+ $(a)+$(KEYC))]) ~ 0 ELSE ERROR Number for get $(KEY):$(KEYC) already in use: '$(get_list[$(+ $(a)+$(KEYC))])' ENDIF IF $(ACC) !~ r ELSEIF $(REF) ~ $(v) IF $(extern_$(IDENT)) SET $(get_list[$(+ $(a)+$(KEYC))]) $(IDENT), ELSE IF $(IDENT) = aisc_get_keystring SET $(get_list[$(+ $(a)+$(KEYC))]) (const char*(*)(int*))$(IDENT),/* special cast for aisc_get_keystring */ ELSE SET $(get_list[$(+ $(a)+$(KEYC))]) ($(TYPE:bytestring=bytestring *)(*)($(maintype)*))$(IDENT),/* explicit cast to overloaded function type before casting to void */ ENDIF OUT import # Generate Prototypes for import P extern $(TYPE:bytestring=bytestring *) $2$(IDENT)($(maintype)*); /* (2) */ OUT save ENDIF ELSE SET $(get_list[$(+ $(a)+$(KEYC))]) get_$(func), IF $(extern_get_$(func)) ELSE IF $(REF) ~ o,l,r,d P $(TYPE) $1*get_$(func)$\ ELSEIF $(REF) ~ e,t P $(TYPE:bytestring=bytestring *) $1get_$(func)$\ ELSE ERROR UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF P ($(maintype)$4 *THIS)$\ P {$\ GOSUB create_index y,0 GOSUB create_condition IF $(TYPE) = bytestring P $3return &($(access));} ELSE P $3return $(access);} ENDIF ENDIF ENDIF ENDFOR RETURN # ***************************** free a structure ******************************* FUNCTION delete_structure CREATE $(ac) $(access) CREATE $(end) CREATE $(start) CREATE $(in) $(index) FOR $({/TYPE) SET $(index) $(in) SET $(access) $(ac)$(IDENT) SET $(end) IF $(DESTROY) P $1$(DESTROY:THIS=obj); ELSEIF $(REF) ~ $(v) #virtuell function ELSE IF $(REF) ~ *,v SET $(index) $(SIZE:THIS->=$(ac)) IF $(REF) ~ * P $1if($(access)) $\ SET $(end) $1}free((char *)$(access));}$n ELSE SET $(end) $1}}$n ENDIF P $1{int index; P $1for (index = 0; index < $(index); index++) { SET $(access) $(access)[index] ENDIF IF $(TYPE) = dllh SET $(access) $(access). PUSH MOVETO $(/AISC/DATA/STRUCT.dll_header) GOSUB delete_structure POP ELSEIF $(REF) ~ s IF $(REF) ~ o,d,i PUSH IF $(REF) ~ i CREATE $(access) $(access). ELSE P $1if($(access)) { CREATE $(access) $(access)-> ENDIF MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) GOSUB delete_structure POP IF $(REF) !~ i P $1free$2((char *)$(access));} ENDIF ENDIF ELSEIF $(REF) ~ d P $1while ($(access)) { P $2destroy_$(TYPE)($(access)); P $2if (aisc_server_error)$5return;} ELSEIF $(REF) ~ o P $1if ($(access))$4destroy_$(TYPE)($(access)); P $1if (aisc_server_error)$5return; ELSEIF $(REF) ~ t,e IF $(TYPE) = aisc_string P $1if($(access))$4free($(access)); ELSEIF $(TYPE) = bytestring P $3if($(access).data) free($(access).data); ENDIF ELSEIF $(REF) ~ l ELSE ERROR UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF P $(end)$\ ENDIF ENDFOR RETURN # ***************************** save a structure ******************************* FUNCTION save_structure CREATE $(ac) $(access) CREATE $(end) CREATE $(start) CREATE $(in) $(index) CREATE $(prekey) $(prekey) FOR $({/TYPE) SET $(index) $(in) SET $(access) $(ac)$(IDENT) SET $(end) IF $(REF) ~ $(v) #virtuell function ELSEIF $(SAVE) IF $(REF) ~ *,v SET $(index) $(SIZE:THIS->=$(ac)) IF $(REF) ~ * P $1if($(access)) $\ SET $(end) $1}}$n ELSE SET $(end) $1}}$n ENDIF P $1{int index; P $1for (index = 0; index < $(index); index++) { SET $(access) $(access)[index] ENDIF IF $(TYPE) = dllh SET $(access) $(access). PUSH CREATE $(prekey) $(prekey)$(KEY) MOVETO $(/AISC/DATA/STRUCT.dll_header) GOSUB save_structure POP ELSEIF $(REF) ~ s #sub structure IF $(REF) ~ o,d,i PUSH IF $(REF) ~ i CREATE $(access) $(access). ELSE P $1if($(access)) { CREATE $(access) $(access)-> ENDIF CREATE $(prekey) $(prekey)$(KEY|NOKEYDEFINED) MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) GOSUB save_structure POP P $1}; ENDIF ELSEIF $(REF) ~ d P $1{$(TYPE) *cobj; P $2for(cobj = $(access);cobj;cobj=cobj->next) { P $3int error; P $3fprintf(THIS_FD,"$(prekey)$(KEY|NOKEYDEFINED){ "); P $3error = save_$(TYPE)(cobj,THIS_FD); P $3if (error) return error; P $3fprintf(THIS_FD,"}\n"); P $1}}; ELSEIF $(REF) ~ o P $1fprintf(THIS_FD,"$(prekey)$(KEY) {\n"); P $1{ int error = save_$TYPE($(access),THIS_FD); P $1if (error) return error; } P $1fprintf(THIS_FD,"}\n"); ELSEIF $(REF) ~ t,e IF $(TYPE) = aisc_string P $1if ($(access)){ P $2fprintf(THIS_FD,"$(prekey)$(KEY|NOKEYDEFINED) "); P $2aisc_server_save_token(THIS_FD,$(access),$(TOKENSIZE));} ELSEIF $(TYPE) = int,long,char P $1fprintf(THIS_FD,"$(prekey)$(KEY|NOKEYDEFINED) %i\n",$(access)); ELSEIF $(TYPE) = float,double P $1fprintf(THIS_FD,"$(prekey)$(KEY|NOKEYDEFINED) %f\n",$(access)); ELSE ERROR CANNOT SAVE TYPE '$(TYPE)' ENDIF ELSEIF $(REF) ~ l P $1fprintf(THIS_FD,"$(prekey)$(KEY|NOKEYDEFINED) %i",$(access)); ELSE ERROR UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF P $(end)$\ ENDIF ENDFOR RETURN # ***************************** load a structure ******************************* FUNCTION save_token P int aisc_server_save_token(FILE *fd,char *buffer, int maxsize){ P $1char *p; P $1int c; P $1putc('{',fd); P $1p = buffer; P $1while(maxsize-->0){ P $1 c = *(p++);if (!c) break; P $1 if (c=='}' || c == '\\') putc('\\',fd); P $1 putc(c,fd); P $1} P $1putc('}',fd); P $1return 0; P $1} RETURN FUNCTION load_token P int aisc_server_load_token(FILE *fd,char *buffer, int maxsize) P $1{ P $1char *p; P $1int c; P $1int in_brackets = 0; P $1p = buffer; P $1while(maxsize-->0){ P $2c = getc(fd); P $2if (c==EOF) { *p=0; return EOF;} P $2else if(in_brackets) { P $2 if (c=='\\') { c = getc(fd); *(p++) = c; continue; } P $2 if (c!='}') *(p++) = c;else {*p=0;return 0;} P $2}else if (c=='{'){ if (p!=buffer) {*(p++) = '{';*p=0;return 0;} P $2 else in_brackets = 1; } P $2else if (c==' '){ if (p!=buffer) {*p=0;return 0;} } P $2else if (c=='\n'){ if (p!=buffer) {*p=0;return 0;} } P $2else if (c=='}') {*(p++) = '}'; *p=0;return 0;} P $2else *(p++) = c; P $1} P $1*p = 0; return EOF; /* read error maxsize reached */ P $1} RETURN FUNCTION load_structure CREATE $(ac) $(access) CREATE $(end) CREATE $(start) CREATE $(in) $(index) CREATE $(prekey) $(prekey) FOR $({/TYPE) SET $(index) $(in) SET $(access) $(ac)$(IDENT) SET $(end) IF $(REF) ~ $(v) #virtuell function ELSEIF $(SAVE) IF $(REF) ~ *,v SET $(index) $(SIZE:THIS->=$(ac)) IF $(REF) ~ * P $1if($(access)) $\ SET $(end) $1}}$n ELSE SET $(end) $1}}$n ENDIF P $1{int index; P $1for (index = 0; index < $(index); index++) { SET $(access) $(access)[index] ENDIF IF $(TYPE) = dllh SET $(access) $(access). PUSH CREATE $(prekey) $(prekey)$(KEY) MOVETO $(/AISC/DATA/STRUCT.dll_header) GOSUB load_structure POP ELSEIF $(REF) ~ s #sub structure IF $(REF) ~ o,d,i PUSH IF $(REF) ~ i CREATE $(access) $(access). ELSE P $1if($(access)) { CREATE $(access) $(access)-> ENDIF CREATE $(prekey) $(prekey)$(KEY|NOKEYDEFINED) MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) GOSUB load_structure POP P $1}; ENDIF ELSEIF $(REF) ~ d P $2}else if( !strcmp("$(prekey)$(KEY|NOKEYDEFINED){",token) ) { P $3$(TYPE) *cobj = create_$(TYPE)(); P $3{ int error = load_$(TYPE)(cobj,THIS_FD); P $3if(error) return error; } P $3aisc_link((dllpublic_ext*)&($(ac)p$(IDENT)),(dllheader_ext*)cobj); ELSEIF $(REF) ~ o P $1fprintf(THIS_FD,"$(prekey)$(KEY) {\n"); P $1{ int error = save_$TYPE($(access),THIS_FD); P $1if (error) return error; } P $1fprintf(THIS_FD,"}\n"); ELSEIF $(REF) ~ t,e P $2}else if( !strcmp("$(prekey)$(KEY|NOKEYDEFINED)",token) ) { P $3if (aisc_server_load_token(THIS_FD,token,$(TOKENSIZE))) return 1; IF $(TYPE) = aisc_string P $3$(access) = strdup(token); ELSEIF $(TYPE) = int,long,char P $3$(access) = atoi(token); ELSEIF $(TYPE) = float,double P $3$(access) = atof(token); ELSE ERROR CANNOT SAVE TYPE '$(TYPE)' ENDIF ELSEIF $(REF) ~ l P I cannot load links yet ELSE ERROR UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF P $(end)$\ ENDIF ENDFOR RETURN # ***************************** init a structure ******************************* FUNCTION init_structure CREATE $(ac) $(access) CREATE $(end) CREATE $(my_key) CREATE $(index) FOR $({/TYPE) SET $(index) SET $(access) $(ac)$(IDENT) SET $(end) IF $(REF) ~ $(v) ELSE IF $(REF) ~ v SET $(index) $(SIZE:THIS->=$(ac)) SET $(end) $1}}$n P $1{int index; for (index = 0; index < $(index); index++) { SET $(access) $(access)[index] ENDIF IF $(TYPE) = dllh P $1$(access).key$5= KEY_$(OBJECT_KEY)_$(SKEY|COMMON); SET $(access) $(access). PUSH MOVETO $(/AISC/DATA/STRUCT.dll_header) GOSUB init_structure POP ELSEIF $(REF) ~ d P $1$(ac)p$(IDENT).parent$5= (dllheader_ext *)THIS; PUSH MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) SET $(my_key) $(SKEY|SKEY_missing) POP P $1$(ac)p$(IDENT).key$5= KEY_$(OBJECT_KEY)_$(my_key); ELSEIF $(REF) ~ s IF $(REF) ~ i PUSH CREATE $(access) $(access). MOVETO $(/AISC/DATA/STRUCT.$(TYPE)) GOSUB init_structure POP ENDIF ELSEIF $(REF) ~ t,e,l IF $(IDENT) = key IF $(SKEY) !~ COMMON P $1$(access)$5= KEY_$(OBJECT_KEY)_$(SKEY|COMMON); ENDIF ELSEIF $(INIT) IF $(TYPE) = aisc_string P $1$(access)$5= (char *)strdup($(INIT)); ELSE P $1$(access)$5= $(INIT); ENDIF ENDIF ELSE PP UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF P $(end)$\ ENDIF ENDFOR RETURN # ***************************** move a structure ******************************* FUNCTION move_structure CREATE $(access) CREATE $(end) CREATE $(my_key) CREATE $(index) FOR $({/TYPE) SET $(index) SET $(access) $(IDENT) SET $(end) IF $(REF) ~ $(v) ELSEIF $(IDENT) = key ELSE IF $(REF) ~ *,v IF $(SIZE) SET $(index) $(SIZE:THIS->=sobj->) ELSE ERROR Missing SIZE in STRUCT $(STRUCT) ident $(IDENT) ENDIF IF $(REF) ~ * P $1if(dobj->$(access))$4$\ ENDIF SET $(end) $1}}$n P $1{int index; P $1for (index = 0; index < $(index); index++) { SET $(access) $(access)[index] ENDIF IF $(TYPE) = dllh P $1move_dll_header(&(sobj->$(access)),&(dobj->$(access))); ELSEIF $(REF) ~ l,r P $1dobj->$(access)$4= sobj->$(access); P $1trf_link((long)sobj->$(access), (long*)&dobj->$(access)); ELSEIF $(REF) ~ o P $1dobj->$(access)$4= copy_$(TYPE)(sobj->$(access)); ELSEIF $(REF) ~ d P $1{$(TYPE) *cobj,*d2obj; P $1for(cobj = sobj->$(access);cobj;cobj=cobj->next) { P $2d2obj$4= copy_$(TYPE)(cobj); P $2if (!d2obj) return 1; P $2aisc_server_error = aisc_link((dllpublic_ext*)&(dobj->p$(access)),(dllheader_ext*)d2obj); P $2if(aisc_server_error)return 1; P $1}}; ELSEIF $(REF) ~ s IF $(REF) ~ i P $1if (move_$(TYPE)(&(sobj->$(access)),&(dobj->$(access)))) return 1; ENDIF ELSEIF $(REF) ~ t,e IF $(TYPE) = aisc_string P $1if (sobj->$(access)) { P $2dobj->$(access)$4= strdup(sobj->$(access));} ELSEIF $(TYPE) = bytestring P $1if(sobj->$(access).data) { P $2dobj->$(access).data = (char *)malloc(sobj->$(access).size); P $2memcpy(dobj->$(access).data, sobj->$(access).data, sobj->$(access).size); P $2dobj->$(access).size=sobj->$(access).size; P $2} ELSE P $1dobj->$(access)$4= sobj->$(access); ENDIF ELSE PP UNKNOWN REF '$(REF|)' in $(STRUCT).$(TYPE) ENDIF P $(end)$\ ENDIF ENDFOR RETURN # ***************************** create the condition ******************************* FUNCTION create_condition IF $(COND:==) P $n$3if(!($(COND:THISgrep ->=$(ac)))){ P $4aisc_server_error = "$(CONDE|Condition error in $(f)$(KEY))"; P $4return 0;} ENDIF RETURN # ***************************** create vterms ******************************* FUNCTION create_vterms P $(conds_init)$\ RETURN FUNCTION create_index flag,return IF $(index) !~ # P $3int index; ENDIF IF $(flag) = y IF $(conds) ~ & P $3if(!($(conds:#&&=))){$\ P return $(INIT|0); } ENDIF ENDIF IF $(index) !~ # P $3index = aisc_talking_get_index(0,$(index)); IF $(return) = n P $3if (aisc_server_error) return ; ELSE P $3if (aisc_server_error) return $(return); ENDIF ENDIF RETURN # ***************************** create access including testing ******************************* FUNCTION create_access CREATE $(c) $(conds) IF $(c) ~ & P $3if(!($(c:#&&=))){$\ P return $(INIT|0); } ENDIF RETURN # ***************************** create testing ******************************* FUNCTION create_access_noval CREATE $(c) $(conds) IF $(c:&=-) = $(c) # Keine Abfragen noetig ELSE P $3if(!($(c:#&&=))){ return ; } ENDIF RETURN # ***************************** create output ******************************* FUNCTION print_tabs P #define static P static void * aisc_talking_functions_set_$(STRUCT)[] = { FOR $(i) = 0 TO $(MAX_KEY) P $1(void *)$(set_list[$(i)])/*$(i)*/ ENDFOR P $10$n};$n P static void *aisc_talking_functions_get_$(STRUCT)[] = { FOR $(i) = 0 TO $(MAX_KEY) P $1(void *)$(get_list[$(i)]) ENDFOR P $10$n};$n P static void * aisc_talking_functions_create_$(STRUCT)[]= { FOR $(i) = 0 TO $(MAX_KEY) P $1(void *)$(create_list[$(i)]) ENDFOR P $10$n};$n P static void * aisc_talking_functions_find_$(STRUCT)[] = { FOR $(i) = 0 TO $(MAX_KEY) P $1(void *)$(find_list[$(i)]) ENDFOR P $10$n};$n P static void * aisc_talking_functions_copy_$(STRUCT)[] = { FOR $(i) = 0 TO $(MAX_KEY) P $1(void *)$(copy_list[$(i)]) ENDFOR P $10$n};$n RETURN ./arbsrc_9167/AISC_COM/AISC/export2sub0000644012664100000130000000050611213220012017114 0ustar arb_buildcoders# -*-Mode: Makefile;-*- # # -------------------------------------------------------------------------------- # variables listed here are automatically exported to sub-makefiles export AISC_SAVE export AUTODEPENDS export CLIENTCOMPILER export COMPILER export LINK_STATIC_LIB export MAIN_SOURCE export PRIVATE_SERVER_OBJECTS ./arbsrc_9167/AISC_COM/AISC/keys.README0000644012664100000130000000447511213220012016717 0ustar arb_buildcodersPROJECT Hauptname des Programms OBJECT_KEY Prefixkey fuer Objekte MAX_KEY Maximale Attribute Nummer MAX_OBJECT Maximale Anzahl der Objekte DATA { Die Beschreibung der Daten @CONST, @VALUE, @DOCU; //Konstanten @ENUM; ..., {; @VAR, @VAL, @DOCU; } @STRUCT, @SKEY, @SKEYC, @DOCU; my_struxt, MYKEY, 4711, (~ This is the docu ~), [SAVEDIRECTION VERTICAL,] { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @DOCU; } @TYPE, @IDENT, @REF, @SAVE ,@DOCU; TYPE can be: int,char,double,float dllh Header fuer DoubledLinkedList func Funktion Auch fuer C++ or any user defined type REF can be: % virtuell unspecified ( double char .... ) eor i or owner by insertion eor o owner by pointer eor d special owner (double linked list with ident + hash) eor l link eor r reversed_link (only to those objects with dllh) e enum type eor t terminal type eor s structure type /* unfold THIS structure else t */ [ * resizeable vector of ... (key SIZE is size) eor v fixed vector of ... (key SIZE is size)] [ f forward reference ] (THIS-> is father) z.B. os* Vector of unfold substructures ACC Accessiongrants , read and write r, readonly w, writeonly c, createonly rw, read and write privat, public, SAVE Gibt die Versionsnummer beim Speichern und Laden an COND Abfrage auf Bedingung 'index' ist die Nummer beim Zugriff auf indizierte Objekte 'THIS' ist die Eingabestruktur (Achtung: Die Zeichern '->' oder '.' sind schon enthalten Also falls in einer Struktur x und y exestieren und x soll groesser als y sein dann COND (~THISx>THISy~) CONDE Der Fehlertext ./arbsrc_9167/AISC_COM/AISC/Makefile0000644012664100000130000000562411440743000016533 0ustar arb_buildcoders # no-strict-aliasing is important - starting with gcc 4.1.1 code doesn't work without! # (problems are caused by type-punning w/o using union which is used widely here) FORCED_FLAGS=-fno-strict-aliasing -Wno-unused .SUFFIXES: .o .c .h .aisc #where to find the creator files AISC = ../MAKEBIN/aisc AISC_MKPT = ../MAKEBIN/aisc_mkpt GEN_INCLUDES = GENH/aisc.h GENH/aisc_com.h INCLUDE_INCLUDES = aisc_include.header GEN_SERVER_PROTO = GENH/aisc_server_proto.h S_GEN_SERVER_PROTO = GENC/aisc_server.c SERVER_OBJECTS = O/server.o O/struct_man.o O/aisc_extern.o GEN_SERVER_OBJECTS = GENC/aisc_global.o GENC/aisc_server.o GEN_SERVER_INCLUDES = C/aisc_server.h GEN_SERVER_EXTERN_PROTO = GENH/aisc_server_extern.h CLIENT_OBJECTS = O/client.o O/debug.o GEN_CLIENT_OBJECTS = GENC/aisc_debug_globals.o CLIENT_INCLUDES = C/client_privat.h C/client.h AISC_EXTERNALS = C/aisc_extern.c $(PRIVATE_SERVER_OBJECTS:.o=.c) IMPORT_PROTO = GENH/import_proto.h SERVER = server.a CLIENT = client.a AISC_SERVER_EXTERN = GENH/aisc_server_extern.aisc all: $(CLIENT) $(SERVER) pregenerate: $(GEN_INCLUDES) $(GEN_SERVER_PROTO) $(GEN_SERVER_OBJECTS:.o=.c) $(SERVER): $(SERVER_OBJECTS) $(GEN_SERVER_OBJECTS) $(PRIVATE_SERVER_OBJECTS) $(LINK_STATIC_LIB) $@ $^ $(CLIENT): $(CLIENT_OBJECTS) $(GEN_CLIENT_OBJECTS) $(LINK_STATIC_LIB) $@ $^ $(GEN_SERVER_OBJECTS) $(PRIVATE_SERVER_OBJECTS): \ $(GEN_INCLUDES) $(GEN_SERVER_PROTO) \ $(GEN_SERVER_EXTERN_PROTO) $(IMPORT_PROTO) \ $(GEN_SERVER_OBJECTS:.o=.c) \ $(PRIVATE_SERVER_OBJECTS:.o=.c) $(COMPILER) $(FORCED_FLAGS) -c -o $@ $(@:.o=.c) -IGENH -I. -IC -DAISC_SAVE_$(AISC_SAVE) $(GEN_CLIENT_OBJECTS): $(GEN_INCLUDES) $(GEN_CLIENT_OBJECTS:.o=.c) $(CLIENTCOMPILER) $(FORCED_FLAGS) -c -o $@ $(@:.o=.c) -IGENH -I. -IC O/%.o: C/%.c $(GEN_INCLUDES) $(CLIENT_INCLUDES) C/server.h $(COMPILER) $(FORCED_FLAGS) -c -o $@ $< -IGENH -I. -IC $(CLIENT_OBJECTS): $(CLIENT_OBJECTS:O/%.o=C/%.c) $(GEN_INCLUDES) $(CLIENT_INCLUDES) $(CLIENTCOMPILER) $(FORCED_FLAGS) -c -o $@ C/$(@F:.o=.c) -IGENH -I. -IC GENH/%.h: AISC/%.pa AISC/*.pa $(MAIN_SOURCE) $(INCLUDE_INCLUDES) $(AISC) $(AISC) $< $(MAIN_SOURCE) $@ GENC/%.c: AISC/%.pa AISC/*.pa $(MAIN_SOURCE) $(AISC_SERVER_EXTERN) $(AISC) $(AISC) $< $(MAIN_SOURCE) $@ $(AISC_SERVER_EXTERN) $(IMPORT_PROTO) $(IMPORT_PROTO): GENC/aisc_server.c echo $@ $(AISC_SERVER_EXTERN): $(AISC_EXTERNALS) rm -f $(AISC_SERVER_EXTERN) $(AISC_MKPT) -a $(AISC_EXTERNALS) >$@ $(GEN_SERVER_EXTERN_PROTO): $(AISC_EXTERNALS) rm -f $(GEN_SERVER_EXTERN_PROTO) $(AISC_MKPT) -C $(AISC_EXTERNALS) >$@ $(GEN_SERVER_PROTO): $(S_GEN_SERVER_PROTO) rm -f $@ $(AISC_MKPT) -C $(S_GEN_SERVER_PROTO) >$@ clean: rm -f *.[ao] rm -f */*.[ao] rm -f GENH/* rm -f GENC/* rm -f .depends .depends: $(MAKEDEPEND) C/*.c GENC/*.c -I GENH -I C -f- -w1 | grep -v ' /usr' | sed -e 's/^C/O/ig' > .depends_new $(ARBHOME)/SOURCE_TOOLS/mv_if_diff .depends_new .depends ifeq ($(AUTODEPENDS),1) include .depends endif ./arbsrc_9167/AISC_COM/C/ad_varargs.h0000644012664100000130000000002411440743000017005 0ustar arb_buildcoders#include ./arbsrc_9167/AISC_COM/C/aisc_extern.c0000644012664100000130000000277711440743000017214 0ustar arb_buildcoders#include #include #include #include "aisc_extern_privat.h" extern int aisc_d_flags[]; #ifdef __cplusplus extern "C" { #endif const char *aisc_get_object_names(int i); #ifdef __cplusplus } #endif dll_public *create_dll_public() { return 0; } int move_dll_header(dll_header *sobj,dll_header *dobj){ dobj->ident = (char *)strdup(sobj->ident); return 0; } int get_COMMON_CNT(dll_header *THIS){ int key = (int)(THIS->key) >> 16; if (aisc_d_flags[key] == 0) return -1; if(!((THIS->parent))){return 0; } return THIS->parent->cnt; } dllheader_ext *get_COMMON_PARENT(dll_header *THIS){ int key = (int)(THIS->key) >> 16; if (aisc_d_flags[key] == 0) return 0; if(!((THIS->parent))){return 0; } return (dllheader_ext *)THIS->parent->parent; } dllheader_ext *get_COMMON_LAST(dll_header *THIS){ int key = (int)(THIS->key) >> 16; if (aisc_d_flags[key] == 0) return 0; if(!((THIS->parent))){return 0; } return (dllheader_ext *)THIS->parent->last; } char *aisc_get_keystring(int *obj) { int i; i = *obj>>16; return (char*)aisc_get_object_names(i); } char *aisc_get_keystring_dll_header(dll_header *x) { return aisc_get_keystring((int*)x); } /* char *aisc_get_keystring_AN_revers(AN_revers *x) { return aisc_get_keystring((int*)x); } */ /* char *aisc_get_keystring_AN_shorts(AN_shorts *x) { return aisc_get_keystring((int*)x); } */ /* char *aisc_get_keystring_AN_local(AN_local *x) { return aisc_get_keystring((int*)x); } */ ./arbsrc_9167/AISC_COM/C/aisc_extern_privat.h0000644012664100000130000000145111440743000020572 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef P_ # if defined(__STDC__) || defined(__cplusplus) # define P_(s) s # else # define P_(s) () # endif #else # error P_ already defined elsewhere #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* aisc_extern.c */ dll_public *create_dll_public P_((void)); int move_dll_header P_((dll_header *sobj, dll_header *dobj)); int get_COMMON_CNT P_((dll_header *THIS)); dllheader_ext *get_COMMON_PARENT P_((dll_header *THIS)); dllheader_ext *get_COMMON_LAST P_((dll_header *THIS)); char *aisc_get_keystring P_((int *obj)); char *aisc_get_keystring_dll_header P_((dll_header *x)); #ifdef __cplusplus } #endif #undef P_ ./arbsrc_9167/AISC_COM/C/aisc_func_types.h0000644012664100000130000000220211440743000020052 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2000 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef AISC_FUNC_TYPES_H #define AISC_FUNC_TYPES_H struct sigcontext; #define aisc_callback_func_proto(func_name) int func_name(long arg1,...) #define aisc_talking_func_proto_long(func_name) long func_name(long arg1,...) #define aisc_talking_func_proto_longp(func_name) long* func_name(long arg1,...) #define aisc_talking_func_proto_double(func_name) double func_name(long arg1,...) typedef aisc_callback_func_proto((*aisc_callback_func)); typedef aisc_talking_func_proto_long((*aisc_talking_func_long)); typedef aisc_talking_func_proto_longp((*aisc_talking_func_longp)); typedef aisc_talking_func_proto_double((*aisc_talking_func_double)); #else #error aisc_func_types.h included twice #endif // AISC_FUNC_TYPES_H ./arbsrc_9167/AISC_COM/C/aisc_global.h0000644012664100000130000000210111440743000017131 0ustar arb_buildcoders// =============================================================== // // // // File : aisc_global.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef AISC_GLOBAL_H #define AISC_GLOBAL_H #define AISC_ATTR_INT 0x1000000 #define AISC_ATTR_DOUBLE 0x2000000 #define AISC_ATTR_STRING 0x3000000 #define AISC_ATTR_COMMON 0x4000000 #define AISC_ATTR_BYTES 0x5000000 #define AISC_INDEX 0x1ff0000 #define AISC_NO_ANSWER -0x7fffffff #define AISC_COMMON 0 #else #error aisc_global.h included twice #endif // AISC_GLOBAL_H ./arbsrc_9167/AISC_COM/C/aisc_server.h0000644012664100000130000000107211440743000017205 0ustar arb_buildcoders#include #include #include #include #ifdef __cplusplus extern "C" { #endif #include // #include #include int aisc_make_sets(long *obj); /* sets in a create request */ int aisc_talking_get_index (int u, int o); #include #include #include #include #ifdef __cplusplus } #endif /************** SAVE and LOAD **************/ #ifdef AISC_SAVE_YES #include #endif /* for atof */ ./arbsrc_9167/AISC_COM/C/client.c0000644012664100000130000007255411440743000016166 0ustar arb_buildcoders#include #include /* #include */ #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "client_privat.h" #include "client.h" #include "../INCLUDE/SIG_PF.h" #include "trace.h" #define AISC_MAGIC_NUMBER_FILTER 0xffffff00 static const char *err_connection_problems = "CONNECTION PROBLEMS"; int aisc_core_on_error = 1; char *aisc_error; #define CORE if (aisc_core_on_error) { *(int *)NULL = 0; }; aisc_com *aisc_client_link; int aisc_print_error_to_stderr = 1; static char errbuf[300]; #define PRTERR(msg) if (aisc_print_error_to_stderr) fprintf(stderr, "%s: %s\n", msg, link->error); /******************************************* new read command *******************************************/ int aisc_c_read(int socket,char *ptr,long size) { long leftsize,readsize; leftsize = size; readsize = 0; while (leftsize) { readsize = read(socket,ptr,(size_t)leftsize); if (readsize<=0) return 0; ptr += readsize; leftsize -= readsize; } return size; } int aisc_c_write(int socket,char *ptr,int size) { int leftsize,writesize; leftsize = size; writesize = 0; while (leftsize) { writesize = write(socket,ptr,leftsize); if (writesize<=0) return 0; ptr += writesize; leftsize -= writesize; } return size; } /******************************************* bytestring handling *******************************************/ static void aisc_c_add_to_bytes_queue(aisc_com *link, char *data, int size) { struct aisc_bytes_list *bl; bl = (struct aisc_bytes_list *)calloc(sizeof(*bl),1); #ifndef NDEBUG memset(bl, 0, sizeof(*bl)); /* @@@ clear mem needed to avoid (rui's) */ #endif bl->data = data; bl->size = size; if (link->aisc_client_bytes_first){ link->aisc_client_bytes_last->next = bl; link->aisc_client_bytes_last = bl; }else{ link->aisc_client_bytes_first = bl; link->aisc_client_bytes_last = bl; } } int aisc_c_send_bytes_queue(aisc_com *link) { int len; struct aisc_bytes_list *bl,*bl_next; for (bl = link->aisc_client_bytes_first;bl;bl=bl_next){ bl_next = bl->next; len = aisc_c_write(link->socket,(char *)bl->data,bl->size); free((char *)bl); if (len<0)return 1; }; link->aisc_client_bytes_first = link->aisc_client_bytes_last = NULL; return 0; } /******************************************* message handling *******************************************/ struct aisc_client_message_queue { struct aisc_client_message_queue *next; int message_type; char *message; }; int aisc_add_message_queue(aisc_com *link, long size) { long len; char *buffer; struct aisc_client_message_queue *msg,*mp; msg = (struct aisc_client_message_queue *) calloc(sizeof(struct aisc_client_message_queue),1); buffer = (char *)calloc(sizeof(char),(size_t)size); len = aisc_c_read(link->socket, buffer, size); if (len != size) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return 1; } msg->message = strdup(buffer+sizeof(long)); msg->message_type = (int)*(long *)buffer; free(buffer); if (link->message_queue == 0) { link->message_queue = (int *)msg; }else{ for (mp = (struct aisc_client_message_queue *) link->message_queue; mp->next; mp=mp->next) ; mp->next = msg; } return 0; } int aisc_check_error(aisc_com * link) { int len; long magic_number; long size; aisc_check_next: link->error = 0; /* @@@ avoid (rui) */ len = aisc_c_read(link->socket, (char *)(link->aisc_mes_buffer), 2*sizeof(long)); if (len != 2*sizeof(long)) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return 1; } if (link->aisc_mes_buffer[0] >= AISC_MESSAGE_BUFFER_LEN) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return 1; } magic_number = link->aisc_mes_buffer[1]; if ( (unsigned long)(magic_number & AISC_MAGIC_NUMBER_FILTER) != (unsigned long)(link->magic & AISC_MAGIC_NUMBER_FILTER)) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return 1; } size = link->aisc_mes_buffer[0]; if (size) { if (magic_number-link->magic == AISC_CCOM_MESSAGE) { if (aisc_add_message_queue(link,size*sizeof(long))) return 1; goto aisc_check_next; } len = aisc_c_read(link->socket, (char *)(link->aisc_mes_buffer), size * sizeof(long)); if (len != (long)(size*sizeof(long))) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return 1; } switch (magic_number-link->magic) { case AISC_CCOM_OK: return 0; case AISC_CCOM_ERROR: sprintf(errbuf, "SERVER_ERROR %s", (char *)(link->aisc_mes_buffer)); link->error = errbuf; PRTERR("AISC_ERROR"); CORE; return 1; default: return 0; } } return 0; } /******************************************* signal handling *******************************************/ void *aisc_client_sigio() { return 0; } /************************************* find the mach name and id *************************************/ char *aisc_client_get_hostname(void){ static char *hn = 0; if (!hn){ char buffer[4096]; gethostname(buffer,4095); hn = strdup(buffer); } return hn; } const char *aisc_client_get_m_id(const char *path, char **m_name, int *id) { char *p; char *mn; int i; if (!path) { return "AISC_CLIENT_OPEN ERROR: missing hostname:socketid"; } if (!strcmp(path,":")) { path = (char *)getenv("SOCKET"); if (!path) return "ENVIROMENT SOCKET NOT FOUNT"; } p = (char *) strchr(path, ':'); if (path[0] == '*' || path[0] == ':'){ /* UNIX MODE */ char buffer[128]; if (!p) { return "AISC_CLIENT_OPEN ERROR: missing ':' in *:socketid"; } if (p[1] == '~') { sprintf(buffer,"%s%s",getenv("HOME"),p+2); *m_name = (char *)strdup(buffer); }else{ *m_name = (char *)strdup(p+1); } *id = -1; return 0; } if (!p) { return "OPEN_ARB_DB_CLIENT ERROR: missing ':' in netname:socketid"; } mn = (char *) calloc(sizeof(char), p - path + 1); strncpy(mn, path, p - path); /* @@@ falls hier in mn ein der Bereich von path bis p stehen soll, fehlt eine abschliesende 0 am String-Ende auf jeden Fall erzeugt der folgende strcmp einen (rui) */ if (!strcmp(mn,"localhost")){ free(mn); mn = strdup(aisc_client_get_hostname()); } *m_name = mn; i = atoi(p + 1); if ((i < 1024) || (i > 32000)) { return "OPEN_ARB_DB_CLIENT ERROR: socketnumber not in [1024..32000]"; } *id = i; return 0; } const char *aisc_client_open_socket(const char *path, int delay, int do_connect, int *psocket, char **unix_name) { char buffer[128]; struct in_addr addr; /* union -> u_long */ struct hostent *he; const char *err; int socket_id; char *mach_name = 0; FILE *test; err = aisc_client_get_m_id(path, &mach_name, &socket_id); if (err) { if (mach_name) free(mach_name); return err; } if (socket_id >= 0) { /* UNIX */ struct sockaddr_in so_ad; memset((char *)&so_ad,0,sizeof(struct sockaddr_in)); *psocket = socket(PF_INET, SOCK_STREAM, 0); if (*psocket <= 0) { return "CANNOT CREATE SOCKET"; } if (!(he = gethostbyname(mach_name))) { sprintf(buffer, "Unknown host: %s", mach_name); free(mach_name); return (char *)strdup(buffer); } /** simply take first address **/ free(mach_name);mach_name = 0; addr.s_addr = *(int *) (he->h_addr); so_ad.sin_addr = addr; so_ad.sin_family = AF_INET; so_ad.sin_port = htons(socket_id); /* @@@ = pb_socket */ if (do_connect){ /*printf("Connecting to %X:%i\n",addr.s_addr,socket_id);*/ if (connect(*psocket, (struct sockaddr *)&so_ad, 16)) { return ""; } }else{ char one = 1; setsockopt(*psocket,SOL_SOCKET,SO_REUSEADDR,(const char *)&one,sizeof(one)); if (bind(*psocket,(struct sockaddr *)&so_ad,16)){ return "Could not open socket on Server"; } } if (delay == TCP_NODELAY) { static int optval; optval = 1; setsockopt(*psocket, IPPROTO_TCP, TCP_NODELAY, (char *)&optval, 4); } *unix_name = 0; return 0; } else { struct sockaddr_un so_ad; *psocket = socket(PF_UNIX, SOCK_STREAM, 0); if (*psocket <= 0) { return "CANNOT CREATE SOCKET"; } so_ad.sun_family = AF_UNIX; strcpy(so_ad.sun_path,mach_name); if (do_connect){ if (connect(*psocket, (struct sockaddr*)&so_ad, strlen(mach_name)+2)) { return ""; } }else{ test = fopen(mach_name,"r"); if (test) { struct stat stt; fclose(test); if (!stat(path, &stt)){ if (S_ISREG(stt.st_mode)){ fprintf(stderr,"%X\n",(unsigned int)stt.st_mode); return "Socket already exists as a file"; } } } if (unlink(mach_name)) { ; }else{ printf("old socket found\n"); } if (bind(*psocket,(struct sockaddr*)&so_ad,strlen(mach_name)+2)){ return "Could not open socket on Server"; } } *unix_name = mach_name; return 0; } } /******************************************* aisc_init_client *******************************************/ void *aisc_init_client( aisc_com *link ) { int len,mes_cnt; mes_cnt = 2; link->aisc_mes_buffer[0] = mes_cnt-2; link->aisc_mes_buffer[1] = AISC_INIT+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_CONN_ERROR"); return 0; } aisc_check_error(link); return (void *)(link->aisc_mes_buffer[0]); } aisc_com *aisc_open(const char *path,long *mgr, long magic) { aisc_com *link; const char *err; static char *unix_name = 0; link = (aisc_com *) calloc(sizeof(aisc_com), 1); link->aisc_client_bytes_first = link->aisc_client_bytes_last = NULL; link->magic = magic; err = aisc_client_open_socket(path, TCP_NODELAY, 1, &link->socket, &unix_name); if(unix_name) free(unix_name); if (err) { free((char *)link); if (*err) PRTERR("ARB_DB_CLIENT_OPEN"); return 0; } signal(SIGPIPE, (SIG_PF) aisc_client_sigio); *mgr = 0; *mgr = (long)aisc_init_client(link); if (!*mgr || link->error){ free((char *)link); return 0; } aisc_client_link = link; return link; } int aisc_close(aisc_com * link) { if (link) { if (link->socket) { link->aisc_mes_buffer[0] = 0; link->aisc_mes_buffer[1] = 0; link->aisc_mes_buffer[2] = 0; aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), 3 * sizeof(long)); shutdown(link->socket, 2); close(link->socket); link->socket = 0; } free((char *)link); } return 0; } int aisc_get_message(aisc_com *link) { int anz,len; long size,magic_number; struct timeval timeout; fd_set set; timeout.tv_sec = 0; timeout.tv_usec = 0; FD_ZERO (&set); FD_SET (link->socket, &set); if (link->message) free(link->message); link->message_type = 0; link->message = 0; anz = select(FD_SETSIZE,&set,NULL,NULL,&timeout); if (anz){ len = aisc_c_read(link->socket, (char *)(link->aisc_mes_buffer), 2*sizeof(long)); if (len != 2*sizeof(long)) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return -1; } if (!link->aisc_mes_buffer[0]) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return -1; } magic_number = link->aisc_mes_buffer[1]-link->magic; if ( magic_number != AISC_CCOM_MESSAGE) { link->error = err_connection_problems; PRTERR("AISC_ERROR"); return -1; } size = link->aisc_mes_buffer[0]; if (aisc_add_message_queue(link,size*sizeof(long))) return -1; } if (link->message_queue) { struct aisc_client_message_queue *msg; msg = (struct aisc_client_message_queue *)link->message_queue; link->message_queue = (int *)msg->next; link->message = msg->message; link->message_type = msg->message_type; free((char *)msg); return link->message_type; } return 0; } int aisc_get(aisc_com *link, int o_type, long objekt, ...) { /* goes to header: __ATTR__SENTINEL */ long *arg_pntr[MAX_AISC_SET_GET]; long arg_types[MAX_AISC_SET_GET]; long mes_cnt; long arg_cnt; va_list parg; long type,o_t; long attribute,code; long count; long i,len; long size; AISC_DUMP_SEP(); mes_cnt = 2; arg_cnt = 0; count =4; va_start(parg,objekt); link->aisc_mes_buffer[mes_cnt++] = objekt; while( (code=va_arg(parg,long)) ) { attribute = code &0x0000ffff; type = code &0xff000000; o_t = code &0x00ff0000; if ( (o_t != (int)o_type) ){ sprintf(errbuf, "ARG NR %li DON'T FIT OBJECT", count); link->error = errbuf; PRTERR("AISC_GET_ERROR"); CORE; return 1; }; if( (attribute > AISC_MAX_ATTR) ) { sprintf(errbuf, "ARG %li IS NOT AN ATTRIBUTE_TYPE", count); link->error = errbuf; PRTERR("AISC_GET_ERROR"); CORE; return 1; }; link->aisc_mes_buffer[mes_cnt++] = code; arg_pntr[arg_cnt] = va_arg(parg,long *); arg_types[arg_cnt++] = type; count +=2; if (arg_cnt>=MAX_AISC_SET_GET) { sprintf(errbuf, "TOO MANY ARGS (>%i)", MAX_AISC_SET_GET); link->error = errbuf; PRTERR("AISC_GET_ERROR"); CORE; return 1; } } if (mes_cnt > 3) { link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_GET+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), (size_t)(mes_cnt * sizeof(long))); if (!len) { link->error = err_connection_problems; PRTERR("AISC_GET_ERROR"); return 1; } if (aisc_check_error(link)) return 1; mes_cnt = 0; for (i=0;iaisc_mes_buffer[mes_cnt]); arg_pntr[i][0] = link->aisc_mes_buffer[mes_cnt++]; break; case AISC_ATTR_DOUBLE: AISC_DUMP(aisc_get, double, *(double*)&(link->aisc_mes_buffer[mes_cnt])); ((int*)arg_pntr[i])[0] = (int)(link->aisc_mes_buffer[mes_cnt++]); ((int*)arg_pntr[i])[1] = (int)(link->aisc_mes_buffer[mes_cnt++]); break; case AISC_ATTR_STRING: { char *str = strdup((char *)(&(link->aisc_mes_buffer[mes_cnt+1]))); AISC_DUMP(aisc_get, charPtr, str); arg_pntr[i][0] = (long)str; mes_cnt += link->aisc_mes_buffer[mes_cnt] + 1; break; } case AISC_ATTR_BYTES: size = arg_pntr[i][1] = link->aisc_mes_buffer[mes_cnt++]; AISC_DUMP(aisc_get, int, size); if (size){ arg_pntr[i][0] = (long)calloc(sizeof(char),(size_t)size); len = aisc_c_read(link->socket,(char *)(arg_pntr[i][0]),size); if (size!=len) { link->error = err_connection_problems; PRTERR("AISC_GET_ERROR"); } #if defined(DUMP_COMMUNICATION) aisc_dump_hex("aisc_get bytestring: ", (char *)(arg_pntr[i][0]), size); #endif /* DUMP_COMMUNICATION */ }else{ arg_pntr[i][0] = 0; } break; default: link->error = "UNKNOWN TYPE"; PRTERR("AISC_GET_ERROR"); CORE; return 1; } } } return 0; } long *aisc_debug_info(aisc_com *link,int o_type,long objekt,int attribute) { int mes_cnt; int o_t; int len; mes_cnt = 2; o_t = attribute &0x00ff0000; if ( (o_t != (int)o_type) ) { link->error = "ATTRIBUTE DON'T FIT OBJECT"; PRTERR("AISC_DEBUG_ERROR"); CORE; return 0; }; attribute = attribute&0xffff; if( (attribute > AISC_MAX_ATTR) ) { link->error = "CLIENT DEBUG NOT CORRECT TYPE"; PRTERR("AISC_DEBUG_ERROR"); CORE; return 0; }; link->aisc_mes_buffer[mes_cnt++] = objekt; link->aisc_mes_buffer[mes_cnt++] = attribute; link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_DEBUG_INFO+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_GET_ERROR"); return 0; } if (aisc_check_error(link)) return 0; return &(link->aisc_mes_buffer[0]); } static int aisc_collect_sets(aisc_com *link, int mes_cnt, va_list parg, int o_type, int count) { double dummy; int type,o_t; int attribute,code; int len,ilen; char *str; int arg_cnt = 0; AISC_DUMP_SEP(); while( (code=va_arg(parg,int)) ) { attribute = code &0x0000ffff; type = code &0xff000000; o_t = code &0x00ff0000; if ( code != AISC_INDEX) { if ( (o_t != (int)o_type) ) { sprintf(errbuf, "ATTRIBUTE ARG NR %i DON'T FIT OBJECT", count); link->error = errbuf; PRTERR("AISC_SET_ERROR"); CORE; return 0; } if( (attribute > AISC_MAX_ATTR) ) { sprintf(errbuf, "ARG %i IS NOT AN ATTRIBUTE_TYPE", count); link->error = errbuf; PRTERR("AISC_SET_ERROR"); CORE; return 0; } } link->aisc_mes_buffer[mes_cnt++] = code; switch (type) { case AISC_ATTR_INT: case AISC_ATTR_COMMON: link->aisc_mes_buffer[mes_cnt++] = va_arg(parg,long); AISC_DUMP(aisc_collect_sets, int, link->aisc_mes_buffer[mes_cnt-1]); break; case AISC_ATTR_DOUBLE: { int *ptr; dummy = va_arg(parg, double); AISC_DUMP(aisc_collect_sets, double, dummy); ptr = (int*)&dummy; link->aisc_mes_buffer[mes_cnt++] = *ptr++; link->aisc_mes_buffer[mes_cnt++] = *ptr; break; } case AISC_ATTR_STRING: str = va_arg(parg,char *); AISC_DUMP(aisc_collect_sets, charPtr, str); len = strlen(str)+1; if (len > AISC_MAX_STRING_LEN) { sprintf(errbuf, "ARG %i: STRING \'%s\' TOO LONG", count+2, str); link->error = errbuf; PRTERR("AISC_SET_ERROR"); CORE; return 0; } ilen = (len)/sizeof(long) +1; link->aisc_mes_buffer[mes_cnt++] = ilen; memcpy( (char *)(&(link->aisc_mes_buffer[mes_cnt])), str,len); mes_cnt += ilen; break; case AISC_ATTR_BYTES: { bytestring *bs; bs = va_arg(parg,bytestring *); AISC_DUMP(aisc_collect_sets, int, bs->size); if (bs->data && bs->size) { aisc_c_add_to_bytes_queue(link, bs->data,bs->size); #if defined(DUMP_COMMUNICATION) aisc_dump_hex("aisc_collect_sets bytestring: ", bs->data, bs->size); #endif /* DUMP_COMMUNICATION */ } link->aisc_mes_buffer[mes_cnt++] = bs->size; /* size */ break; } default: link->error = "UNKNOWN TYPE"; PRTERR("AISC_SET_ERROR"); CORE; return 0; } count +=2; if ((arg_cnt++) >= MAX_AISC_SET_GET) { sprintf(errbuf, "TOO MANY ARGS (>%i)", MAX_AISC_SET_GET); link->error = errbuf; PRTERR("AISC_SET_ERROR"); CORE; return 0; } } return mes_cnt; } int aisc_put( aisc_com *link, int o_type, long objekt, ...) { /* goes to header: __ATTR__SENTINEL */ int mes_cnt,arg_cnt; va_list parg; int len; arg_cnt = mes_cnt = 2; link->aisc_mes_buffer[mes_cnt++] = objekt; link->aisc_mes_buffer[mes_cnt++] = o_type; va_start(parg,objekt); if (!(mes_cnt = aisc_collect_sets(link, mes_cnt,parg,o_type,4))) return 1; if (mes_cnt > 3) { link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_SET+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_SET_ERROR"); return 1; } if (aisc_c_send_bytes_queue(link)) return 1; if (aisc_check_error(link)) return 1; } return 0; } int aisc_nput( aisc_com *link, int o_type, long objekt, ...) { /* goes to header: __ATTR__SENTINEL */ int mes_cnt,arg_cnt; va_list parg; int len; arg_cnt = mes_cnt = 2; link->aisc_mes_buffer[mes_cnt++] = objekt; link->aisc_mes_buffer[mes_cnt++] = o_type; va_start(parg,objekt); if (!(mes_cnt = aisc_collect_sets(link, mes_cnt,parg,o_type,4))) { return 1; } if (mes_cnt > 3) { link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_NSET+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_SET_ERROR"); return 1; } if (aisc_c_send_bytes_queue(link)) { return 1; } } return 0; } int aisc_create(aisc_com *link, int father_type, long father, int attribute, int object_type, long *object, ...) { /* goes to header: __ATTR__SENTINEL */ int mes_cnt; int len; va_list parg; *object = 0; mes_cnt = 2; if ( (father_type&0xff00ffff) ){ link->error = "FATHER_TYPE UNKNOWN"; PRTERR("AISC_CREATE_ERROR"); CORE; return 1; } if ( (object_type&0xff00ffff) ){ link->error = "OBJECT_TYPE UNKNOWN"; PRTERR("AISC_CREATE_ERROR"); CORE; return 1; } link->aisc_mes_buffer[mes_cnt++] = father_type; link->aisc_mes_buffer[mes_cnt++] = father; link->aisc_mes_buffer[mes_cnt++] = attribute; link->aisc_mes_buffer[mes_cnt++] = object_type; if (father_type != (attribute&0x00ff0000) ) { link->error = "ATTRIBUTE TYPE DON'T FIT OBJECT"; PRTERR("AISC_CREATE_ERROR"); CORE; return 1; } va_start(parg,object); if (!(mes_cnt = aisc_collect_sets(link, mes_cnt,parg,object_type,7))) return 1; link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_CREATE+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_CREATE_ERROR"); return 1; } if (aisc_c_send_bytes_queue(link)) return 1; if (aisc_check_error(link)) return 1; *object = link->aisc_mes_buffer[0]; return 0; } int aisc_copy( aisc_com *link, int s_type, long source, int father_type, long father, int attribute, int object_type, long *object, ...) { /* goes to header: __ATTR__SENTINEL */ int mes_cnt; int len; va_list parg; *object = 0; if (s_type!= object_type) { link->error = "OBJECT_TYPE IS DIFFERENT FROM SOURCE_TYPE"; PRTERR("AISC_COPY_ERROR"); CORE; return 1; } mes_cnt = 2; if ( (father_type&0xff00ffff) ){ link->error = "FATHER UNKNOWN"; PRTERR("AISC_COPY_ERROR"); CORE; return 1; } link->aisc_mes_buffer[mes_cnt++] = source; link->aisc_mes_buffer[mes_cnt++] = father_type; link->aisc_mes_buffer[mes_cnt++] = father; link->aisc_mes_buffer[mes_cnt++] = attribute; link->aisc_mes_buffer[mes_cnt++] = object_type; if (father_type != (attribute&0x00ff0000) ) { link->error = "ATTRIBUTE TYPE DON'T FIT OBJECT"; PRTERR("AISC_COPY_ERROR"); CORE; return 1; } va_start(parg,object); if (!(mes_cnt = aisc_collect_sets(link, mes_cnt,parg,object_type,9))) return 1; link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_COPY+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_COPY_ERROR"); return 1; } if (aisc_c_send_bytes_queue(link)) return 1; if (aisc_check_error(link)) return 1; *object = link->aisc_mes_buffer[0]; return 0; } int aisc_delete(aisc_com *link,int objekt_type,long source) { int len,mes_cnt; mes_cnt = 2; link->aisc_mes_buffer[mes_cnt++] = objekt_type; link->aisc_mes_buffer[mes_cnt++] = source; link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_DELETE+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_DELETE_ERROR"); return 1; } return aisc_check_error(link); } int aisc_find(aisc_com *link, int father_type, long father, int attribute, int object_type, long *object, char *ident) { int mes_cnt; int i,len; char *to_free = 0; object_type = object_type; *object = 0; mes_cnt = 2; if ( (father_type&0xff00ffff) ){ link->error = "FATHER_TYPE UNKNOWN"; PRTERR("AISC_FIND_ERROR"); CORE; return 1; } if (father_type != (attribute & 0x00ff0000) ) { link->error = "ATTRIBUTE TYPE DON'T MACH FATHER"; PRTERR("AISC_FIND_ERROR"); CORE; } link->aisc_mes_buffer[mes_cnt++] = father_type; link->aisc_mes_buffer[mes_cnt++] = father; link->aisc_mes_buffer[mes_cnt++] = attribute; if (!ident){ link->error = "IDENT == NULL"; PRTERR("AISC_FIND_ERROR"); CORE; return 1; } len = strlen(ident); if (len >= 32) { sprintf(errbuf, "len(\'%s\') > 32)", ident); link->error = errbuf; PRTERR("AISC_FIND_ERROR"); return 1; } if ( ((long)ident) & 3 ) { to_free = ident = strdup(ident); } len = (len+1)/sizeof(long)+1; link->aisc_mes_buffer[mes_cnt++] = len; for (i=0;iaisc_mes_buffer[mes_cnt++] = ((long *)ident)[i]; } link->aisc_mes_buffer[0] = mes_cnt - 2; link->aisc_mes_buffer[1] = AISC_FIND+link->magic; len = aisc_c_write(link->socket, (char *)(link->aisc_mes_buffer), mes_cnt * sizeof(long)); if (!len) { link->error = err_connection_problems; PRTERR("AISC_FIND_ERROR"); return 1; } if (aisc_check_error(link)) return 1; *object = link->aisc_mes_buffer[0]; if (to_free) free(to_free); return 0; } ./arbsrc_9167/AISC_COM/C/client.h0000644012664100000130000000406111440743000016157 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef CLIENT_H #define CLIENT_H #ifndef P_ # if defined(__STDC__) || defined(__cplusplus) # define P_(s) s # else # define P_(s) () # endif #else # error P_ already defined elsewhere #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* client.c */ int aisc_c_read P_((int socket, char *ptr, long size)); int aisc_c_write P_((int socket, char *ptr, int size)); int aisc_c_send_bytes_queue P_((aisc_com *link)); int aisc_add_message_queue P_((aisc_com *link, long size)); int aisc_check_error P_((aisc_com *link)); void *aisc_client_sigio P_((void)); char *aisc_client_get_hostname P_((void)); const char *aisc_client_get_m_id P_((const char *path, char **m_name, int *id)); const char *aisc_client_open_socket P_((const char *path, int delay, int do_connect, int *psocket, char **unix_name)); void *aisc_init_client P_((aisc_com *link)); aisc_com *aisc_open P_((const char *path, long *mgr, long magic)); int aisc_close P_((aisc_com *link)); int aisc_get_message P_((aisc_com *link)); int aisc_get P_((aisc_com *link, int o_type, long objekt, ...)) __ATTR__SENTINEL; long *aisc_debug_info P_((aisc_com *link, int o_type, long objekt, int attribute)); int aisc_put P_((aisc_com *link, int o_type, long objekt, ...)) __ATTR__SENTINEL; int aisc_nput P_((aisc_com *link, int o_type, long objekt, ...)) __ATTR__SENTINEL; int aisc_create P_((aisc_com *link, int father_type, long father, int attribute, int object_type, long *object, ...)) __ATTR__SENTINEL; int aisc_copy P_((aisc_com *link, int s_type, long source, int father_type, long father, int attribute, int object_type, long *object, ...)) __ATTR__SENTINEL; int aisc_delete P_((aisc_com *link, int objekt_type, long source)); int aisc_find P_((aisc_com *link, int father_type, long father, int attribute, int object_type, long *object, char *ident)); #ifdef __cplusplus } #endif #undef P_ #else #error client.h included twice #endif /* CLIENT_H */ ./arbsrc_9167/AISC_COM/C/client_privat.h0000644012664100000130000000301211440743000017537 0ustar arb_buildcoders#ifndef GLOBAL_H #include "aisc_global.h" #endif #define AISC_MAX_ATTR 4095 #define MAX_AISC_SET_GET 16 #define AISC_MAX_STRING_LEN 1024 #define AISC_MESSAGE_BUFFER_LEN ((AISC_MAX_STRING_LEN/4+3)*(16+2)) struct aisc_bytes_list { char *data; int size; struct aisc_bytes_list *next; }; typedef struct struct_aisc_com { int socket; int message_type; char *message; int *message_queue; long magic; const char *error; long aisc_mes_buffer[AISC_MESSAGE_BUFFER_LEN]; struct aisc_bytes_list *aisc_client_bytes_first; struct aisc_bytes_list *aisc_client_bytes_last; } aisc_com; typedef struct struct_bytestring { char *data; int size; } bytestring; #define AISC_MAGIC_NUMBER 0 enum aisc_command_list { AISC_GET = AISC_MAGIC_NUMBER + 0, AISC_SET = AISC_MAGIC_NUMBER + 1, AISC_NSET = AISC_MAGIC_NUMBER + 2, AISC_CREATE = AISC_MAGIC_NUMBER + 3, AISC_FIND = AISC_MAGIC_NUMBER + 4, AISC_COPY = AISC_MAGIC_NUMBER + 5, AISC_DELETE = AISC_MAGIC_NUMBER + 6, AISC_INIT = AISC_MAGIC_NUMBER + 7, AISC_DEBUG_INFO = AISC_MAGIC_NUMBER + 8, AISC_FORK_SERVER = AISC_MAGIC_NUMBER + 9 }; enum aisc_client_command_list { AISC_CCOM_OK = AISC_MAGIC_NUMBER + 0, AISC_CCOM_ERROR = AISC_MAGIC_NUMBER + 1, AISC_CCOM_MESSAGE = AISC_MAGIC_NUMBER + 2 }; ./arbsrc_9167/AISC_COM/C/debug.c0000644012664100000130000001054611440743000015767 0ustar arb_buildcoders#include #include #include /* #include */ #include #include #include "client.h" #include "aisc_global.h" #ifdef __cplusplus extern "C" { const char *aisc_debug_local(aisc_com *link,int key,long object,char *str,...) __ATTR__SENTINEL; const char *aisc_debug_local(aisc_com *link,int key,long object,char *str,...); } #endif const char *aisc_debug_local(aisc_com *link, int key, long object, char *str, ...) __ATTR__SENTINEL; const char *aisc_debug_local(aisc_com *link, int key, long object, char *str, ...) { static char buf[4096]; static char *keystr; static long anz; long code,*er,type; char *bptr,*sc,*sp,*sm; va_list parg; static char *gstring; static double gdouble; static long gint,father; static bytestring gbs; bptr = &buf[0]; va_start(parg,str); sm = sc = strdup(str); if (aisc_get(link,AISC_COMMON,object, COMMON_KEYSTRING, &keystr, COMMON_CNT, &anz, COMMON_PARENT, &father, NULL)) return "unknown object"; sprintf(bptr,"\naisc_get (link,%14s,%20li, /* (Count %li ) */\n", keystr,object,anz); bptr += strlen(bptr); if(father){ if (!aisc_get(link,AISC_COMMON,father, COMMON_KEYSTRING, &keystr, COMMON_CNT, &anz, NULL)){ sprintf(bptr,"%14s/* PARENT: %s %li (Count: %li)*/\n", " ",keystr,father,anz); bptr += strlen(bptr); } } while ( (code=va_arg(parg,long)) ) { for (sp=sc; ((*sp)!=0) && ((*sp)!=','); sp++) ; *sp = 0; sprintf(bptr,"%30s,",sc); bptr += strlen(bptr); sc += strlen(sc)+1; type = code & 0xff000000; er = (long *)aisc_debug_info(link,key,object,(int)code); if (!er)return"connection problems"; if (!er[1]) { switch (type) { case AISC_ATTR_INT: case AISC_ATTR_COMMON: if (aisc_get(link, key, object, code, &gint, NULL)) return "connection problems"; sprintf(bptr, "%20li, /* ", gint); break; case AISC_ATTR_DOUBLE: if (aisc_get(link, key, object, code, &gdouble, NULL)) return "connection problems"; sprintf(bptr, "%20f, /* ", gdouble); break; case AISC_ATTR_BYTES: if (aisc_get(link, key, object, code, &gbs, NULL)) return "connection problems"; sprintf(bptr, "%5d:%14s, /* ", gbs.size,gbs.data); break; case AISC_ATTR_STRING: if (aisc_get(link, key, object, code, &gstring, NULL)) return "connection problems"; { char *buf2 = (char *)calloc(sizeof(char),strlen(gstring)+3); sprintf(buf2,"\"%s\"",gstring); sprintf(bptr, "%20s, /* ", buf); free(buf2); break; } } }else{ type = 0; sprintf(bptr, "%20s, /* ", "Get not implemented"); } bptr += strlen(bptr); er = (long *)aisc_debug_info(link,key,object,(int)code); /*if (!er[0]) *(bptr++) = 'd'; else *(bptr++) = '-';*/ if (!er[1]) *(bptr++) = 'g'; else *(bptr++) = '-'; if (!er[2]) *(bptr++) = 'p'; else *(bptr++) = '-'; if (!er[3]) *(bptr++) = 'f'; else *(bptr++) = '-'; if (!er[4]) *(bptr++) = 'c'; else *(bptr++) = '-'; if (!er[5]) *(bptr++) = 'c'; else *(bptr++) = '-'; if ((type == AISC_ATTR_COMMON) && (gint) ) { if (aisc_get(link,AISC_COMMON,gint, COMMON_KEYSTRING, &keystr, COMMON_CNT, &anz, NULL)) return "connection problems"; sprintf(bptr," %s (%li) */\n",keystr,anz); bptr += strlen(bptr); }else{ sprintf(bptr, "*/\n"); bptr += strlen(bptr); } } sprintf(bptr, "\t)\n"); bptr += strlen(bptr); free(sm); fwrite(buf,strlen(buf),1,stdout); /*printf("%s",buf);*/ return ""; } ./arbsrc_9167/AISC_COM/C/Makefile0000644012664100000130000000140411440743000016166 0ustar arb_buildcoders all: echo "Available targets: proto" GENERATED_HEADERS= \ aisc_extern_privat.h \ client.h \ struct_man.h \ server.h \ AISC_MKPT_FLAGS=-CPE -G proto: $(GENERATED_HEADERS) clean: rm $(GENERATED_HEADERS) aisc_extern_privat.h: aisc_extern.c $(ARBHOME)/MAKEBIN/aisc_mkpt $(AISC_MKPT_FLAGS) -w $@ $? >$@.tmp $(ARBHOME)/SOURCE_TOOLS/mv_if_diff $@.tmp $@ client.h: client.c $(ARBHOME)/MAKEBIN/aisc_mkpt $(AISC_MKPT_FLAGS) -w $@ $? >$@.tmp $(ARBHOME)/SOURCE_TOOLS/mv_if_diff $@.tmp $@ struct_man.h: struct_man.c $(ARBHOME)/MAKEBIN/aisc_mkpt $(AISC_MKPT_FLAGS) -w $@ $? >$@.tmp $(ARBHOME)/SOURCE_TOOLS/mv_if_diff $@.tmp $@ server.h: server.c $(ARBHOME)/MAKEBIN/aisc_mkpt $(AISC_MKPT_FLAGS) -w $@ $? >$@.tmp $(ARBHOME)/SOURCE_TOOLS/mv_if_diff $@.tmp $@ ./arbsrc_9167/AISC_COM/C/server.c0000644012664100000130000012532111440743000016205 0ustar arb_buildcoders#include #include /* #include */ #include #include #include #include #include #include #include #include #include #include #include #if defined(SUN4) || defined(SUN5) # include #endif #include "trace.h" #define FD_SET_TYPE #if defined(DEBUG) /* #define SERVER_TERMINATE_ON_CONNECTION_CLOSE */ #endif /* DEBUG */ #include #include #include #include "aisc_com.h" /* AISC_MKPT_PROMOTE:#include */ #include "server.h" #include "aisc_global.h" /* #include */ #include "../INCLUDE/SIG_PF.h" #include "../INCLUDE/arb_assert.h" #define aisc_assert(cond) arb_assert(cond) #define AISC_SERVER_OK 1 #define AISC_SERVER_FAULT 0 #define MAX_QUEUE_LEN 5 #define AISC_MAGIC_NUMBER_FILTER 0xffffff00 /******************************************* some structures *******************************************/ #ifdef __cplusplus extern "C" { #endif struct Socinf { struct Socinf *next; int socket; aisc_callback_func destroy_callback; long destroy_clientdata; int lasttime; }; #ifdef __cplusplus } #endif struct pollfd; struct Hs_struct { int hso; struct Socinf *soci; struct pollfd *fds; unsigned long nfds; int nsoc; int timeout; int fork; char *unix_name; }; struct aisc_bytes_list { char *data; int size; struct aisc_bytes_list *next; } *aisc_server_bytes_first,*aisc_server_bytes_last; extern char *aisc_object_names[]; extern char **aisc_attribut_names_list[]; extern aisc_talking_func_long *aisc_talking_functions_get[]; extern aisc_talking_func_long *aisc_talking_functions_set[]; extern aisc_talking_func_longp *aisc_talking_functions_copy[]; extern aisc_talking_func_longp *aisc_talking_functions_find[]; extern aisc_talking_func_longp *aisc_talking_functions_create[]; extern aisc_talking_func_long aisc_talking_functions_delete[]; /* extern long ((**(aisc_talking_functions_get[]))(...)); */ /* extern long ((**(aisc_talking_functions_set[]))(...)); */ /* extern long *((**(aisc_talking_functions_copy[]))(...)); */ /* extern long *((**(aisc_talking_functions_find[]))(...)); */ /* extern long *((**(aisc_talking_functions_create[]))(...)); */ /* extern long ((*(aisc_talking_functions_delete[]))(...)); */ const char *aisc_server_error; int mdba_make_core = 1; static char error_buf[256]; static int aisc_server_con; static struct Hs_struct *aisc_server_hs; /******************************************* valid memory tester *******************************************/ static int my_sig_violation_flag; static int my_pipe_violation_flag; /* int my_sig_violation_end(); */ char *test_address_valid(void *address,long key) { /* tested ob die Addresse address erlaubt ist, falls ja, dann return NULL, sonst Fehlerstring */ /* Falls key != NULL, tested ob *address == key */ long i; static char buf[256]; my_sig_violation_flag = 0; if ((long)address & (sizeof(long)-1) ) { sprintf(buf,"MEMORY MANAGER ERROR: SIGNAL BUS_ERROR; ADDRESS 0x%lx",(long)address); return buf; } i = *(long *)address; if (my_sig_violation_flag) { sprintf(buf,"MEMORY MANAGER ERROR: SIGNAL SEGV; ADDRESS 0x%lx",(long)address); return buf; } if (key){ if (i!=key) { sprintf(buf,"MEMORY MANAGER ERROR: OBJECT KEY (0x%lx) IS NOT OF TYPE 0x%lx",i,key); return buf; } } return NULL; } int test_address_valid_end() { return 1; } void *my_sig_violation(int sig, int code, struct sigcontext *scp,char * addr) { sig = sig; code = code; addr = addr; scp = scp; #if defined(SUN4) long a,e; my_sig_violation_flag =1; a = (long)test_address_valid; e = (long)test_address_valid_end; if ( (scp->sc_pcsc_pc>e) ){ signal(SIGSEGV,SIG_DFL); /* make core */ return 0; } scp->sc_pc = scp->sc_npc; #endif return 0; } /*************************** valid memory tester (end) *******************/ /******************************************* signal handling *******************************************/ void *aisc_server_sigpipe() { printf("Sig pipe broken\n"); my_pipe_violation_flag = 1; return 0; } /******************************************* new read command *******************************************/ int aisc_s_read(int socket,char *ptr,int size) { int leftsize,readsize; leftsize = size; readsize = 0; while (leftsize) { readsize = read(socket,ptr,leftsize); if (readsize<=0) return 0; ptr += readsize; leftsize -= readsize; } #if defined(DUMP_COMMUNICATION) aisc_dump_hex("aisc_s_read: ", ptr-size, size); #endif /* DUMP_COMMUNICATION */ return size; } int aisc_s_write(int socket,char *ptr,int size) { int leftsize,writesize; leftsize = size; writesize = 0; my_pipe_violation_flag = 0; while (leftsize) { writesize = write(socket,ptr,leftsize); if (my_pipe_violation_flag) return -1; if (writesize<0) return -1; ptr += writesize; leftsize -= writesize; #ifndef SUN4 if (leftsize) sleep(1); #else if (leftsize) usleep(10000); #endif } #if defined(DUMP_COMMUNICATION) aisc_dump_hex("aisc_s_write: ", ptr-size, size); #endif /* DUMP_COMMUNICATION */ return 0; } /******************************** object+attr_names for error messages ********************************/ const char *aisc_get_object_names(long i) { if ((i<0) || (i>=AISC_MAX_OBJECT) || (!aisc_object_names[i])) { return ""; } return aisc_object_names[i]; } const char *aisc_get_object_attribute(long i,long j) { if ((i<0) || (i>=AISC_MAX_OBJECT) || (!aisc_attribut_names_list[i])) { return ""; } if ((j<0) || (j>=AISC_MAX_ATTR) || (!aisc_attribut_names_list[i][j])){ return ""; } return aisc_attribut_names_list[i][j]; } /************************************* find the mach name and id *************************************/ char *aisc_get_hostname(void){ static char *hn = 0; if (!hn){ char buffer[4096]; gethostname(buffer,4095); hn = strdup(buffer); } return hn; } const char *aisc_get_m_id(const char *path, char **m_name, int *id) { char *p; char *mn; int i; if (!path) { return "OPEN_ARB_DB_CLIENT ERROR: missing hostname:socketid"; } if (!strcmp(path,":")) { path = (char *)getenv("SOCKET"); if (!path) return "ENVIROMENT SOCKET NOT FOUNT"; } p = (char *) strchr(path, ':'); if (path[0] == '*' || path[0] == ':'){ /* UNIX MODE */ char buffer[128]; if (!p) { return "OPEN_ARB_DB_CLIENT ERROR: missing ':' in *:socketid"; } if (p[1] == '~') { sprintf(buffer,"%s%s",getenv("HOME"),p+2); *m_name = (char *)strdup(buffer); }else{ *m_name = (char *)strdup(p+1); } *id = -1; return 0; } if (!p) { return "OPEN_ARB_DB_CLIENT ERROR: missing ':' in netname:socketid"; } mn = (char *) calloc(sizeof(char), p - path + 1); strncpy(mn, path, p - path); if (!strcmp(mn,"localhost")){ free(mn); mn = strdup(aisc_get_hostname()); } *m_name = mn; i = atoi(p + 1); if ((i < 1024) || (i > 4096)) { return "OPEN_ARB_DB_CLIENT ERROR: socketnumber not in [1024..4095]"; } *id = i; return 0; } const char *aisc_open_socket(const char *path, int delay, int do_connect, int *psocket, char **unix_name) { char buffer[128]; struct in_addr addr; /* union -> u_long */ struct hostent *he; const char *err; static int socket_id; static char *mach_name; FILE *test; err = aisc_get_m_id(path, &mach_name, &socket_id); if (err) { return err; } if (socket_id >= 0) { /* UNIX */ struct sockaddr_in so_ad; memset((char *)&so_ad,0,sizeof(struct sockaddr_in)); *psocket = socket(PF_INET, SOCK_STREAM, 0); if (*psocket <= 0) { return "CANNOT CREATE SOCKET"; } if (!(he = gethostbyname(mach_name))) { sprintf(buffer, "Unknown host: %s", mach_name); return (char *)strdup(buffer); } /** simply take first address **/ addr.s_addr = *(int *) (he->h_addr); so_ad.sin_addr = addr; so_ad.sin_family = AF_INET; so_ad.sin_port = htons(socket_id); /* @@@ = pb_socket */ if (do_connect){ if (connect(*psocket, (struct sockaddr*)&so_ad, 16)) { return ""; } }else{ static int one = 1; setsockopt(*psocket,SOL_SOCKET,SO_REUSEADDR,(const char *)&one,sizeof(one)); if (bind(*psocket,(struct sockaddr*)&so_ad,16)){ return "Could not open socket on Server (1)"; } } if (delay == TCP_NODELAY) { static int optval; optval = 1; setsockopt(*psocket, IPPROTO_TCP, TCP_NODELAY, (char *)&optval, 4); } *unix_name = 0; return 0; } else { struct sockaddr_un so_ad; *psocket = socket(PF_UNIX, SOCK_STREAM, 0); if (*psocket <= 0) { return "CANNOT CREATE SOCKET"; } so_ad.sun_family = AF_UNIX; strcpy(so_ad.sun_path,mach_name); if (do_connect){ if (connect(*psocket, (struct sockaddr*)&so_ad, strlen(mach_name)+2)) { return ""; } }else{ static int one = 1; test = fopen(mach_name,"r"); if (test) { struct stat stt; fclose(test); if (!stat(path, &stt)){ if (S_ISREG(stt.st_mode)){ fprintf(stderr,"%X\n",stt.st_mode); return "Socket already exists as a file"; } } } if (unlink(mach_name)) { ; }else{ printf("old socket found\n"); } setsockopt(*psocket,SOL_SOCKET,SO_REUSEADDR,(const char *)&one,sizeof(one)); if (bind(*psocket,(struct sockaddr*)&so_ad,strlen(mach_name)+2)){ return "Could not open socket on Server (2)"; } if (chmod(mach_name, 0777 )) return "Cannot change mode of socket"; } *unix_name = mach_name; return 0; } } /******************************************* open the server *******************************************/ struct Hs_struct *open_aisc_server(const char *path,int timeout,int fork) { struct Hs_struct *hs; static int so; static int i; const char *err; hs = (struct Hs_struct *)calloc(sizeof(struct Hs_struct),1); if(!hs) return 0; hs->timeout = timeout; hs->fork = fork; err = aisc_open_socket(path,TCP_NODELAY, 0, &so,&hs->unix_name); if (err) { if (*err) printf("%s\n",err); return 0; } signal(SIGSEGV,(SIG_PF) my_sig_violation); signal(SIGPIPE,(SIG_PF)aisc_server_sigpipe); aisc_server_bytes_first = 0; aisc_server_bytes_last = 0; /** simply take first address **/ if (listen(so, MAX_QUEUE_LEN) < 0) { printf("AISC_SERVER_ERROR could not listen (server) %i\n", errno); return NULL; } i = 0; hs->hso = so; return hs; } void aisc_s_add_to_bytes_queue(char *data,int size) { struct aisc_bytes_list *bl; bl = (struct aisc_bytes_list *)calloc(sizeof(struct aisc_bytes_list),1); bl->data = data; bl->size = size; if (aisc_server_bytes_first){ aisc_server_bytes_last->next = bl; aisc_server_bytes_last = bl; }else{ aisc_server_bytes_first = bl; aisc_server_bytes_last = bl; } } int aisc_s_send_bytes_queue(int socket) { struct aisc_bytes_list *bl,*bl_next; for (bl = aisc_server_bytes_first;bl;bl=bl_next){ bl_next = bl->next; if (aisc_s_write(socket,(char *)bl->data,bl->size)) return 1; free((char *)bl); }; aisc_server_bytes_first = aisc_server_bytes_last = NULL; return 0; } long aisc_talking_get(long *in_buf, int size, long *out_buf, int max_size) { long in_pos, out_pos; long code, object_type, attribute, type; aisc_talking_func_long function; aisc_talking_func_long *functions; aisc_talking_func_double dfunction; /* long (*function)(...); */ /* typedef long (*tfunction)(...); */ /* tfunction *functions; */ /* double (*dfunction)(...); */ long len; long erg = 0; static double derg; long object; in_pos = out_pos = 0; aisc_server_error = NULL; object = in_buf[in_pos++]; object_type = (in_buf[in_pos] & 0x00ff0000); attribute = 0; max_size = 0; if (object_type > (AISC_MAX_OBJECT*0x10000)) { aisc_server_error = "UNKNOWN OBJECT"; object = 0; } else { aisc_server_error = test_address_valid((void *)object, object_type); } object_type = object_type >> (16); AISC_DUMP_SEP(); AISC_DUMP(aisc_talking_get, int, object_type); while (!aisc_server_error && (in_pos < size)) { code = in_buf[in_pos]; attribute = code & 0x0000ffff; type = code & 0xff000000; functions = aisc_talking_functions_get[object_type]; if (!functions) { aisc_server_error = "OBJECT HAS NO ATTRIBUTES"; attribute = 0; break; } if (attribute > AISC_MAX_ATTR) { sprintf(error_buf, "ATTRIBUTE %lx OUT of RANGE", attribute); aisc_server_error = error_buf; attribute = 0; break; } function = functions[attribute]; if (!function) { sprintf(error_buf, "DONT KNOW ATTRIBUTE %li", attribute); aisc_server_error = error_buf; break; } AISC_DUMP(aisc_talking_get, int, attribute); AISC_DUMP(aisc_talking_get, int, type); if (type == AISC_ATTR_DOUBLE) { dfunction = (aisc_talking_func_double) function; derg = dfunction(object); } else { erg = function(object); } if (aisc_server_error) { break; } switch (type) { case AISC_ATTR_INT: case AISC_ATTR_COMMON: AISC_DUMP(aisc_talking_get, int, erg); out_buf[out_pos++] = erg; break; case AISC_ATTR_DOUBLE: AISC_DUMP(aisc_talking_get, double, derg); out_buf[out_pos++] = ((int *) &derg)[0]; out_buf[out_pos++] = ((int *) &derg)[1]; break; case AISC_ATTR_STRING: if (!erg) erg = (long) "(null)"; len = strlen((char *)erg); if (len > AISC_MAX_STRING_LEN) { erg = (long) "(string too long)"; len = strlen((char *)erg); } AISC_DUMP(aisc_talking_get, charPtr, (char*)erg); len += 1; len /= sizeof(long); len++; out_buf[out_pos++] = len; strcpy((char *)&out_buf[out_pos], (char *)erg); out_pos += len; break; case AISC_ATTR_BYTES: { bytestring *bs = (bytestring *)erg; AISC_DUMP(aisc_talking_get, int, bs->size); #if defined(DUMP_COMMUNICATION) aisc_dump_hex("aisc_talking_get bytestring: ", bs->data, bs->size); #endif /* DUMP_COMMUNICATION */ if (bs->data && bs->size) aisc_s_add_to_bytes_queue(bs->data,bs->size); out_buf[out_pos++] = bs->size; /* size */ break; } default: aisc_server_error = "UNKNOWN TYPE"; break; } in_pos++; } if (aisc_server_error) { sprintf((char *) out_buf, "AISC_GET_SERVER_ERROR %s: OBJECT:%s ATTRIBUTE:%s", aisc_server_error, aisc_get_object_names(object_type), aisc_get_object_attribute(object_type,attribute)); return -((strlen((char *)out_buf) + 1) / sizeof(long) + 1); } return out_pos; } int aisc_server_index = -1; void aisc_talking_set_index(int *obj,int i) { obj = obj; aisc_server_index = i; } int aisc_talking_get_index(int u,int o) { if (aisc_server_index==-1) { aisc_server_error = "AISC_SERVER_ERROR MISSING AN AISC_INDEX"; return -1; } if ((aisc_server_index=o) ){ sprintf(error_buf,"AISC_SET_SERVER_ERROR: INDEX %i IS OUT OF RANGE [%i,%i]", aisc_server_index,u,o); aisc_server_error = error_buf; } AISC_DUMP(aisc_talking_get_index, int, aisc_server_index); return aisc_server_index; } long aisc_talking_sets(long *in_buf,int size, long *out_buf,long *object, int object_type) { int blen,bsize; long in_pos,out_pos; long code,attribute,type; aisc_talking_func_long function; aisc_talking_func_long *functions; /* long (*function)(...); */ /* typedef long (*tfunction)(...); */ /* tfunction *functions; */ in_pos = out_pos = 0; aisc_server_index = -1; aisc_server_error = NULL; object_type = (object_type &0x00ff0000); attribute = 0; if (object_type > (AISC_MAX_OBJECT*0x10000)) { object_type = 0; aisc_server_error = "UNKNOWN OBJECT"; }else{ aisc_server_error = test_address_valid((void *)object,object_type); } object_type = object_type>>(16); functions = aisc_talking_functions_set[object_type]; if (!functions) { sprintf(error_buf,"OBJECT %x HAS NO ATTRIBUTES", object_type); aisc_server_error = error_buf; } AISC_DUMP_SEP(); AISC_DUMP(aisc_talking_sets, int, object_type); while (!aisc_server_error &&(in_pos AISC_MAX_ATTR) { sprintf(error_buf,"ATTRIBUTE %li DOESNT EXIST", attribute); aisc_server_error = error_buf; attribute = 0; break; } if (code == AISC_INDEX) { function = (aisc_talking_func_long)aisc_talking_set_index; }else{ function = functions[attribute]; } if (!function){ sprintf(error_buf,"ATTRIBUTE %li DOESNT EXIST", attribute); aisc_server_error = error_buf; break; } AISC_DUMP(aisc_talking_sets, int, attribute); AISC_DUMP(aisc_talking_sets, int, type); switch(type){ case AISC_ATTR_INT: case AISC_ATTR_COMMON: AISC_DUMP(aisc_talking_sets, long, in_buf[in_pos]); function((long)object,in_buf[in_pos++]); break; case AISC_ATTR_DOUBLE: { double dummy; int *ptr; ptr = (int*)&dummy; *ptr++ = (int)in_buf[in_pos++]; *ptr++ = (int)in_buf[in_pos++]; AISC_DUMP(aisc_talking_sets, double, dummy); function((long)object, dummy ); break; } case AISC_ATTR_STRING: { char *str = strdup((char *)&(in_buf[in_pos+1])); AISC_DUMP(aisc_talking_sets, charPtr, str); function((long)object, str); in_pos += in_buf[in_pos]+1; break; } case AISC_ATTR_BYTES: bsize = (int)in_buf[in_pos++]; AISC_DUMP(aisc_talking_sets, int, bsize); if (bsize){ long *ptr; ptr = (long*)calloc(sizeof(char),bsize); blen = aisc_s_read(aisc_server_con,(char *)ptr,bsize); if (bsize!=blen) { aisc_server_error ="CONNECTION PROBLEMS IN BYTESTRING"; }else{ bytestring bs; bs.data = (char *)ptr; bs.size = bsize; #if defined(DUMP_COMMUNICATION) aisc_dump_hex("aisc_talking_sets bytestring: ", (char*)ptr, bsize); #endif /* DUMP_COMMUNICATION */ function((long)object,&bs); } }else{ function((long)object,0); } break; default: aisc_server_error = "UNKNOWN TYPE"; break; } } if(aisc_server_error) { sprintf((char *) out_buf, "AISC_SET_SERVER_ERROR %s: OBJECT:%s ATTRIBUTE:%s", aisc_server_error, aisc_get_object_names(object_type), aisc_get_object_attribute(object_type,attribute)); return -((strlen((char *)out_buf) + 1) / sizeof(long) + 1); } return 0; } long aisc_talking_set(long *in_buf,int size, long *out_buf,int max_size) { int in_pos,out_pos; int object_type; long object; in_pos = out_pos = 0; aisc_server_error = NULL; max_size = 0; object = in_buf[in_pos++]; object_type = ((int)in_buf[in_pos++])& 0x00ff0000; return aisc_talking_sets(&(in_buf[in_pos]), size-in_pos,out_buf,(long *)object,object_type); } long aisc_talking_nset(long *in_buf,int size, long *out_buf,int max_size) { int in_pos,out_pos; long error; int object_type; long object; in_pos = out_pos = 0; aisc_server_error = NULL; max_size = 0; object = in_buf[in_pos++]; object_type = (int)(in_buf[in_pos++]& 0x00ff0000); error = aisc_talking_sets(&(in_buf[in_pos]), size-in_pos,out_buf,(long *)object,object_type); return AISC_NO_ANSWER; } static struct aisc_static_set_mem { long *ibuf,*obuf; int size,type; } md; long aisc_make_sets(long *obj) { if (md.size>0) { return aisc_talking_sets(md.ibuf,md.size,md.obuf,obj,md.type); }else{ return 0; } } long aisc_talking_create(long *in_buf, int size, long *out_buf, int max_size) { int in_pos, out_pos; long code, father_type, object_type, attribute, type; aisc_talking_func_longp function; aisc_talking_func_longp *functions; /* long *(**functions) (...), *(*function) (...); */ int i; long *erg = 0; long father; in_pos = out_pos = 0; aisc_server_error = NULL; father_type = in_buf[in_pos++]; father = in_buf[in_pos++]; max_size = 0; for (i=0;i<1;i++){ if ( (father_type&0xff00ffff) || (((unsigned int)father_type& 0xff0000)>= (AISC_MAX_OBJECT*0x10000)) ){ aisc_server_error = "AISC_CREATE_SERVER_ERROR: FATHER UNKNOWN"; break; } aisc_server_error = test_address_valid((void *)father,father_type); if (aisc_server_error) break; father_type = father_type>>16; functions = aisc_talking_functions_create[father_type]; code = in_buf[in_pos++]; attribute = code & 0x0000ffff; type = code & 0xff000000; object_type = in_buf[in_pos++]; if (!functions) { sprintf(error_buf, "AISC_CREATE_SERVER_ERROR: FATHER %s DOESNT HAVE TARGET-ATTRIBUTE %s", aisc_get_object_names(father_type), aisc_get_object_attribute(father_type,attribute)); aisc_server_error = error_buf; break; } if (attribute > AISC_MAX_ATTR) { aisc_server_error = "AISC_CREATE_SERVER_ERROR: UNKNOWN ATTRIBUTE"; break; } function = functions[attribute]; if (!function) { sprintf(error_buf, "AISC_CREATE_SERVER_ERROR: FATHER %s FATHER DOESNT HAVE TARGET-ATTRIBUTE %s", aisc_get_object_names(father_type), aisc_get_object_attribute(father_type,attribute)); aisc_server_error = error_buf; break; } md.ibuf = &(in_buf[in_pos]); md.obuf = out_buf; md.size = size - in_pos; md.type = (int)object_type; erg = function(father); } if (aisc_server_error) { sprintf((char *) out_buf, "%s", aisc_server_error); return -((strlen(aisc_server_error) + 1) / sizeof(long) + 1); }else{ out_buf[0] = (long)erg; return 1; } } long aisc_talking_copy(long *in_buf, int size, long *out_buf, int max_size) { int in_pos, out_pos; int code, father_type, object_type,attribute, type; aisc_talking_func_longp function; aisc_talking_func_longp *functions; /* long *(**functions)(...), *(*function)(...); */ int i; long *erg =0 ; long father; long object; in_pos = out_pos = 0; aisc_server_error = NULL; object = in_buf[in_pos++]; father_type = (int)in_buf[in_pos++]; father = in_buf[in_pos++]; for (i=0;i<1;i++){ if ( (father_type&0xff00ffff) || (((unsigned int)father_type& 0xff0000)>= (AISC_MAX_OBJECT*0x10000)) ){ aisc_server_error = "AISC_COPY_SERVER_ERROR: FATHER UNKNOWN"; break; } aisc_server_error = test_address_valid((void *)father,father_type); if (aisc_server_error) break; father_type = father_type>>16; functions = aisc_talking_functions_copy[father_type]; code = (int)in_buf[in_pos++]; object_type = (int)in_buf[in_pos++]; attribute = code & 0x0000ffff; type = code & 0xff000000; if (!functions) { aisc_server_error = "AISC_COPY_SERVER_ERROR: FATHER DOESNT HAVE TARGET-ATTRIBUTES"; break; } if (attribute > AISC_MAX_ATTR) { aisc_server_error = "AISC_COPY_SERVER_ERROR: UNKNOWN ATTRIBUTE"; break; } function = functions[attribute]; if (!function) { sprintf(error_buf, "AISC_COPY_SERVER_ERROR: FATHER %s DOESNT HAVE TARGET-ATTRIBUTE %s", aisc_get_object_names(father_type), aisc_get_object_attribute(father_type,attribute)); aisc_server_error = error_buf; break; } aisc_server_error = test_address_valid((void *)object,object_type); if (aisc_server_error) break; md.ibuf = &(in_buf[in_pos]); md.obuf = out_buf; md.size = size - in_pos; md.type = object_type; erg = function(father,object); } max_size = max_size; if (aisc_server_error) { sprintf((char *) out_buf, "%s", aisc_server_error); return -((strlen(aisc_server_error) + 1) / sizeof(long) + 1); }else{ out_buf[0] = (long)erg; return 1; } } long aisc_talking_find(long *in_buf, int size, long *out_buf, int max_size) { int in_pos, out_pos; long code, father_type, attribute, type; aisc_talking_func_longp function; aisc_talking_func_longp *functions; /* long *(**functions)(...),*(*function)(...); */ int i; long *erg= 0; long father; in_pos = out_pos = 0; aisc_server_error = NULL; father_type = in_buf[in_pos++]; father = in_buf[in_pos++]; size = size; max_size = max_size; for (i = 0; i < 1; i++) { if ((father_type & 0xff00ffff) || (((unsigned int) father_type & 0xff0000) >= (AISC_MAX_OBJECT*0x10000))) { aisc_server_error = "AISC_FIND_SERVER_ERROR: FATHER UNKNOWN"; break; } aisc_server_error = test_address_valid((void *)father, father_type); if (aisc_server_error) break; father_type = father_type>>16; functions = aisc_talking_functions_find[father_type]; code = in_buf[in_pos++]; attribute = code & 0x0000ffff; type = code & 0xff000000; if (!functions) { aisc_server_error = "AISC_FIND_SERVER_ERROR: FATHER DONT KNOW ATTRIBUTES FOR SEARCH"; break; } if (attribute > AISC_MAX_ATTR) { aisc_server_error = "AISC_FIND_SERVER_ERROR: UNKNOWN ATTRIBUTE"; break; } function = functions[attribute]; if (!function) { sprintf(error_buf, "AISC_FIND_SERVER_ERROR: FATHER %s DONT KNOW ATTRIBUTE %s FOR SEARCH", aisc_get_object_names(father_type), aisc_get_object_attribute(father_type,attribute)); aisc_server_error = error_buf; break; } if (in_buf[in_pos++]<=0) { aisc_server_error = " AISC_FIND_SERVER_ERROR: CANNOT FIND EMPTY IDENT"; break; } erg = function(father, &(in_buf[in_pos])); } if (aisc_server_error) { sprintf((char *) out_buf, "%s", aisc_server_error); return -((strlen(aisc_server_error) + 1) / sizeof(long) + 1); } else { out_buf[0] = (long) erg; return 1; } } extern int *aisc_main; long aisc_talking_init(long *in_buf, int size, long *out_buf, int max_size) { in_buf = in_buf; size = size; max_size = max_size; aisc_server_error = NULL; out_buf[0] = (long)aisc_main; return 1; } long aisc_fork_server(long *in_buf, int size, long *out_buf, int max_size){ pid_t pid; in_buf = in_buf; size = size; out_buf = out_buf; max_size = max_size; pid = fork(); if (pid<0) return 0;/* return OK because fork does not work*/ return pid; } long aisc_talking_delete(long *in_buf, int size, long *out_buf, int max_size) { int in_pos, out_pos; long object_type; aisc_talking_func_long function; /* long (*function)(...); */ int i; long object; in_pos = out_pos = 0; aisc_server_error = NULL; object_type = in_buf[in_pos++]; object_type = (object_type & 0x00ff0000); object = in_buf[in_pos++]; for (i = 0; i < 1; i++) { if (object_type > (AISC_MAX_OBJECT*0x10000)) { aisc_server_error = "AISC_GET_SERVER_ERROR: UNKNOWN OBJECT"; } else { aisc_server_error = test_address_valid((void *)object, object_type); } if (aisc_server_error) break; object_type = object_type >> (16); function = aisc_talking_functions_delete[object_type]; if (!function) { sprintf(error_buf, "AISC_SET_SERVER_ERROR: OBJECT %s cannot be deleted", aisc_object_names[object_type]); aisc_server_error = error_buf; break; } else { function(object); } } if (aisc_server_error) { size = size; max_size = max_size; sprintf((char *) out_buf, "%s", aisc_server_error); return -((strlen(aisc_server_error) + 1) / sizeof(long) + 1); } return 0; } long aisc_talking_debug_info(long *in_buf,int size,long *out_buf,int max_size) { int in_pos, out_pos; long object_type, attribute; aisc_talking_func_long *functionsg; aisc_talking_func_long *functionss; aisc_talking_func_longp *functions; /* typedef long (*tfunction)(...); */ /* typedef long *(*tfunction2)(...); */ /* tfunction *functionsg; */ /* tfunction *functionss; */ /* tfunction2 *functions; */ int i; long *object; size = size; max_size = max_size; in_pos = out_pos = 0; aisc_server_error = NULL; for (i=0;i<256;i++) out_buf[i] = 0; for (i = 0; i < 1; i++) { object = (long *)in_buf[in_pos++]; attribute = in_buf[in_pos++]; aisc_server_error = test_address_valid((void *)object, 0); if (aisc_server_error) break; object_type = *object; if ( (object_type > (AISC_MAX_OBJECT*0x10000)) || (object_type&0xff00ffff) || (object_type<0x00010000) ) { aisc_server_error = "AISC_DEBUGINFO_SERVER_ERROR: UNKNOWN OBJECT"; break; } attribute &= 0x0000ffff; object_type = object_type>>16; if (!aisc_talking_functions_delete[object_type]) { out_buf[0] = 1;}; if (!(functionsg=aisc_talking_functions_get[object_type])) { out_buf[1] = 2; }else{ if (!functionsg[attribute]) out_buf[1] = 1; }; if (!(functionss=aisc_talking_functions_set[object_type])) { out_buf[2] = 2; }else{ if (!functionss[attribute]) out_buf[2] = 1; }; if (!(functions=aisc_talking_functions_find[object_type])) { out_buf[3] = 2; }else{ if (!functions[attribute]) out_buf[3] = 1; }; if (!(functions=aisc_talking_functions_create[object_type])) { out_buf[4] = 2; }else{ if (!functions[attribute]) out_buf[4] = 1; }; if (!(functions=aisc_talking_functions_copy[object_type])) { out_buf[5] = 2; }else{ if (!functions[attribute]) out_buf[5] = 1; }; } if (aisc_server_error) { sprintf((char *) out_buf, "%s", aisc_server_error); return -((strlen(aisc_server_error) + 1) / sizeof(long) + 1); } else { return 20; } } /********************* broadcast message *************************/ int aisc_broadcast(struct Hs_struct *hs, int message_type, const char *message) { struct Socinf *si; int size = message ? strlen(message) : 0; int sizeL = (size+1+sizeof(long)-1) / sizeof(long); // number of longs needed to safely store string long *out_buf = (long *)calloc(sizeL+3, sizeof(long)); if (!message) { out_buf[3] = 0; } else { char *strStart = (char*)(out_buf+3); int pad = sizeL*sizeof(long)-(size+1); arb_assert(pad >= 0); memcpy(strStart, message, size+1); if (pad) memset(strStart+size+1, 0, pad); // avoid to send uninitialized bytes } arb_assert(sizeL >= 1); out_buf[0] = sizeL+1; out_buf[1] = AISC_CCOM_MESSAGE; out_buf[2] = message_type; for(si=hs->soci; si; si=si->next){ aisc_s_write(si->socket, (char *)out_buf, (sizeL + 3) * sizeof(long)); } free(out_buf); return 0; } int aisc_private_message(int socket, int message_type, char *message) { int len; int size; long *out_buf; len = 1; if (!message) size = 0; else size = strlen(message); out_buf = (long *)malloc(size+64); if (!message) { out_buf[3] = 0; len += 1; }else{ sprintf((char *) (out_buf+3), "%s", message); len += (size + 1) / sizeof(long) + 1; } out_buf[0] = len; out_buf[1] = AISC_CCOM_MESSAGE; out_buf[2] = message_type; if (aisc_s_write(socket, (char *)out_buf, (len + 2) * sizeof(long))) { aisc_server_error = "Pipe broken"; return 0; } free((char *)out_buf); return 0; } int aisc_talking_count; #ifdef __cplusplus extern "C" { #endif typedef long (*aisc_talking_function_type)(long*, int, long*, int); #ifdef __cplusplus } #endif static aisc_talking_function_type aisc_talking_functions[]= { aisc_talking_get, aisc_talking_set, aisc_talking_nset, aisc_talking_create, aisc_talking_find, aisc_talking_copy, aisc_talking_delete, aisc_talking_init, aisc_talking_debug_info, aisc_fork_server }; int aisc_talking(int con) { static long buf[AISC_MESSAGE_BUFFER_LEN]; static long out_buf[AISC_MESSAGE_BUFFER_LEN]; unsigned long len; static long size; long magic_number; len = aisc_s_read(con, (char *)buf, 2* sizeof(long)); if (len == 2*sizeof(long)) { aisc_server_con = con; if (buf[0] >= AISC_MESSAGE_BUFFER_LEN) return AISC_SERVER_FAULT; magic_number = buf[1]; if ( (unsigned long)(magic_number & AISC_MAGIC_NUMBER_FILTER) != (unsigned long)(AISC_MAGIC_NUMBER & AISC_MAGIC_NUMBER_FILTER)) { return AISC_SERVER_FAULT; } size = buf[0]; { long expect = size*sizeof(long); aisc_assert(expect >= 0); aisc_assert(expect <= INT_MAX); len = aisc_s_read(con, (char *)buf, (int)expect); aisc_assert(len <= LONG_MAX); if ((long)len != expect) { printf(" ERROR in AISC_SERVER: Expected to get %li bytes from client (got %lu)\n", expect, len); return AISC_SERVER_OK; } } magic_number &= ~AISC_MAGIC_NUMBER_FILTER; size = (aisc_talking_functions[magic_number]) (buf, (int)size, out_buf + 2, AISC_MESSAGE_BUFFER_LEN - 2); if (size >= 0) { out_buf[1] = AISC_CCOM_OK; } else { if (size == (long)AISC_NO_ANSWER) { return AISC_SERVER_OK; } out_buf[1] = AISC_CCOM_ERROR; size *= -1; } out_buf[0] = size; if (aisc_s_write(con, (char *)out_buf, (int)(size + 2) * sizeof(long))){ return AISC_SERVER_FAULT; } if (aisc_server_bytes_first) { if (aisc_s_send_bytes_queue(con)){ return AISC_SERVER_FAULT; } } return AISC_SERVER_OK; } else { return AISC_SERVER_FAULT; } } struct Hs_struct *aisc_accept_calls(struct Hs_struct *hs) { int con; int anz, i; struct Socinf *si, *si_last = NULL, *sinext, *sptr; fd_set set,setex; struct timeval timeout; if(!hs){ fprintf(stderr,"AISC_SERVER_ERROR socket error (==0)\n"); } timeout.tv_sec = hs->timeout / 1000; timeout.tv_usec = (hs->timeout % 1000) * 1000; aisc_server_hs = hs; while (hs){ FD_ZERO(&set); FD_ZERO(&setex); FD_SET(hs->hso,&set); FD_SET(hs->hso,&setex); for(si=hs->soci, i=1; si; si=si->next, i++) { FD_SET(si->socket,&set); FD_SET(si->socket,&setex); } if (hs->timeout >= 0) { anz = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,FD_SET_TYPE &setex,&timeout); }else{ anz = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,FD_SET_TYPE &setex,0); } if(anz==-1){ printf("ERROR: poll in aisc_accept_calls\n"); return 0; } if(!anz){ /* timed out */ return hs; } /*** an event has occured! ***/ if( (timeout.tv_usec>=0)&&(timeout.tv_usec<100000)) timeout.tv_usec = 100000; if(FD_ISSET(hs->hso,&set)){ con = accept(hs->hso,NULL,0); if (hs->fork){ long id = fork(); if (!id){ return hs; } } if(con>0){ static int optval; sptr = (struct Socinf *)calloc(sizeof(struct Socinf),1); if(!sptr) return 0; sptr->next = hs->soci; sptr->socket = con; hs->soci=sptr; hs->nsoc++; optval = 1; setsockopt(con,IPPROTO_TCP,TCP_NODELAY,(char *)&optval,4); } }else{ si_last = 0; for(si=hs->soci; si; si_last=si, si=sinext){ sinext = si->next; if (FD_ISSET(si->socket,&set)){ if( AISC_SERVER_OK == aisc_talking(si->socket) ) continue; }else if (!FD_ISSET(si->socket,&setex)) continue; if (close(si->socket) != 0) { printf("aisc_accept_calls: "); printf("couldn't close socket!\n"); } hs->nsoc--; if (si == hs->soci) { /* first one */ hs->soci = si->next; } else { si_last->next = si->next; } if (si->destroy_callback) { si->destroy_callback(si->destroy_clientdata); } free((char *)si); #ifdef SERVER_TERMINATE_ON_CONNECTION_CLOSE if (hs->nsoc == 0) { /* no clients left */ if (hs->fork) exit(0); /* child exits */ return hs; /* parent exits */ } break; #else /* normal behavior */ if (hs->nsoc == 0 && hs->fork) exit(0); break; #endif } } } /* while main loop */ return hs; } /************************** aisc_server_shutdown_and_exit *********************/ void aisc_server_shutdown_and_exit(struct Hs_struct *hs, int exitcode) { /* goes to header: __ATTR__NORETURN */ struct Socinf *si; for(si=hs->soci; si; si=si->next){ shutdown(si->socket, 2); /* 2 = both dir */ close(si->socket); } shutdown(hs->hso, 2); close(hs->hso); if (hs->unix_name) unlink(hs->unix_name); printf("Server terminates with code %i.\n", exitcode); exit(exitcode); } /************************** special functions *********************/ int aisc_get_key(int *obj) { return *obj; } extern "C" int aisc_add_destroy_callback(aisc_callback_func callback, long clientdata) { /* call from server function */ struct Socinf *si; int socket = aisc_server_con; struct Hs_struct *hs = aisc_server_hs; if (!hs) return socket; for (si = hs->soci; si; si = si->next) { if (si->socket == socket) { si->destroy_callback = callback; si->destroy_clientdata = clientdata; } } return socket; } void aisc_remove_destroy_callback() { /* call from server * function */ struct Socinf *si; int socket = aisc_server_con; struct Hs_struct *hs = aisc_server_hs; if (!hs) return; for (si = hs->soci; si; si = si->next) { if (si->socket == socket) { si->destroy_callback = 0; si->destroy_clientdata = 0; } } } ./arbsrc_9167/AISC_COM/C/server.h0000644012664100000130000000567311440743000016221 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef SERVER_H #define SERVER_H #ifndef P_ # if defined(__STDC__) || defined(__cplusplus) # define P_(s) s # else # define P_(s) () # endif #else # error P_ already defined elsewhere #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* server.c */ #include char *test_address_valid P_((void *address, long key)); int test_address_valid_end P_((void)); void *my_sig_violation P_((int sig, int code, struct sigcontext *scp, char *addr)); void *aisc_server_sigpipe P_((void)); int aisc_s_read P_((int socket, char *ptr, int size)); int aisc_s_write P_((int socket, char *ptr, int size)); const char *aisc_get_object_names P_((long i)); const char *aisc_get_object_attribute P_((long i, long j)); char *aisc_get_hostname P_((void)); const char *aisc_get_m_id P_((const char *path, char **m_name, int *id)); const char *aisc_open_socket P_((const char *path, int delay, int do_connect, int *psocket, char **unix_name)); struct Hs_struct *open_aisc_server P_((const char *path, int timeout, int fork)); void aisc_s_add_to_bytes_queue P_((char *data, int size)); int aisc_s_send_bytes_queue P_((int socket)); long aisc_talking_get P_((long *in_buf, int size, long *out_buf, int max_size)); void aisc_talking_set_index P_((int *obj, int i)); int aisc_talking_get_index P_((int u, int o)); long aisc_talking_sets P_((long *in_buf, int size, long *out_buf, long *object, int object_type)); long aisc_talking_set P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_talking_nset P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_make_sets P_((long *obj)); long aisc_talking_create P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_talking_copy P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_talking_find P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_talking_init P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_fork_server P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_talking_delete P_((long *in_buf, int size, long *out_buf, int max_size)); long aisc_talking_debug_info P_((long *in_buf, int size, long *out_buf, int max_size)); int aisc_broadcast P_((struct Hs_struct *hs, int message_type, const char *message)); int aisc_private_message P_((int socket, int message_type, char *message)); int aisc_talking P_((int con)); struct Hs_struct *aisc_accept_calls P_((struct Hs_struct *hs)); void aisc_server_shutdown_and_exit P_((struct Hs_struct *hs, int exitcode)) __ATTR__NORETURN; int aisc_get_key P_((int *obj)); extern "C" int aisc_add_destroy_callback P_((aisc_callback_func callback, long clientdata)); void aisc_remove_destroy_callback P_((void)); #ifdef __cplusplus } #endif #undef P_ #else #error server.h included twice #endif /* SERVER_H */ ./arbsrc_9167/AISC_COM/C/struct_man.c0000644012664100000130000002360411440743000017057 0ustar arb_buildcoders#include #include /* #include */ #include #include "aisc.h" #include "struct_man.h" /* AISC_MKPT_PROMOTE:struct aisc_hash_node; */ /********************************* HASH TABLES ****************************/ #define CORE #define HASH_SIZE 103123 #define TRF_HASH_SIZE 103123 struct aisc_hash_node { char *key; long data; struct aisc_hash_node *next; }; struct aisc_hash_node ** aisc_init_hash(int size) { struct aisc_hash_node **tab; tab = (struct aisc_hash_node **) calloc(sizeof(struct aisc_hash_node *), size); tab[0] = (struct aisc_hash_node *) calloc(sizeof(struct aisc_hash_node), 1); tab[0]->data = size; tab[0]->key = (char *)strdup("len_of_hash_table_(c) oliver_strunk 1.3.93"); return tab; } int aisc_hash(char *key,int size) { unsigned int i,len,x; len = strlen(key); x = 0; for (i=0;idata; i = aisc_hash(key, (int)size); for (hn = hhn = table[i]; hn; hn = hn->next) { if (strcmp(key, hn->key)) { hhn = hn; continue; } if (hn != hhn) hhn->next = hn->next; else { table[i] = hhn->next; } free(hn->key); free((char *)hn); break; } } } void aisc_free_hash(struct aisc_hash_node **table) { long i,end; struct aisc_hash_node *hn,*hnn; end = table[0]->data; for (i=0;inext; free(hn->key); free((char *)hn); } } free((char *)table); } void aisc_insert_hash(struct aisc_hash_node **table,char *key,long data) { long i,size; struct aisc_hash_node *hn,*hnl; size = table[0]->data; i = aisc_hash(key,(int)size); hnl = 0; for (hn=table[i];hn;hn=hn->next) { hnl = hn; if (strcmp(key,hn->key) == 0) { hn->data = data; return; }; }; hn = (struct aisc_hash_node *)calloc(sizeof(struct aisc_hash_node),1); hn->key = (char *)strdup(key); hn->data = data; if (hnl) { hnl->next = hn; }else{ table[i] = hn; } } long aisc_read_hash(struct aisc_hash_node **table,char *key) { long i,size; struct aisc_hash_node *hn; if( table && table[0]){ size = table[0]->data; i = aisc_hash(key,(int)size); for (hn=table[i];hn;hn=hn->next) { if (strcmp(key,hn->key) == 0) return hn->data; } } return 0; } /*************************************** LINK CONTROL ***********************/ const char *aisc_link(dllpublic_ext * parent, dllheader_ext * mh) { if (!mh) { CORE; return "Object is (NULL)"; } if (mh->parent) { CORE; return "Object already linked"; } if (!parent) { CORE; return "Parent is (NULL)"; } if (parent->key != mh->key) { CORE; return "Parent key doesnt match Object key"; } if (mh->ident) { if (strlen(mh->ident) <= 0) { CORE; return "Too short ident"; } if (parent->hash) { if (aisc_read_hash((struct aisc_hash_node **)parent->hash, mh->ident)) { CORE; return "Object already in list"; } else { aisc_insert_hash((struct aisc_hash_node **)parent->hash, mh->ident, (long)mh); } } else { parent->hash = (long)aisc_init_hash(HASH_SIZE); aisc_insert_hash((struct aisc_hash_node **)parent->hash, mh->ident, (long)mh); } } mh->next = mh->previous = NULL; if (!parent->first) { parent->cnt = 1; parent->first = mh; parent->last = mh; } else { parent->cnt++; mh->previous = parent->last; parent->last->next = mh; parent->last = mh; } mh->parent = parent; return 0; } const char *aisc_unlink(dllheader_ext * mh) { dllpublic_ext *parent; if (!(parent = (dllpublic_ext *)mh->parent)) { CORE; return "Object not linked"; } if (parent->hash) { aisc_free_key((struct aisc_hash_node **)parent->hash, mh->ident); } if (parent->cnt <= 0) { CORE; return "Parent count is 0"; } if (mh->previous) { if (mh->previous->next != mh) { CORE; return "Fatal Error: Object is a copy, not original"; } mh->previous->next = mh->next; } else { parent->first = mh->next; } if (mh->next) { mh->next->previous = mh->previous; } else { parent->last = mh->previous; } mh->parent = NULL; mh->previous = NULL; mh->next = NULL; parent->cnt--; if (! parent->cnt) { if (parent->hash) { aisc_free_hash((struct aisc_hash_node **)parent->hash); parent->hash = 0; } } return 0; } long aisc_find_lib(dllpublic_ext *parent, char *ident) { if (!parent->hash) return 0; if (!ident) return 0; return aisc_read_hash((struct aisc_hash_node **)parent->hash, ident); } /*************************************** AISC P_MOVE *********************************/ struct trf_dest_struct { struct trf_dest_struct *next; long *dest; }; struct trf_struct { struct trf_struct *next; long new_item; long old; struct trf_dest_struct *dests; }; int trf_hash(long p) { return (p+(p>>8))&(TRF_HASH_SIZE-1); } static int trf_level = 0; static struct trf_struct **trf_sp = 0; long trf_create(long old, long new_item) { long i; struct trf_struct *ts; struct trf_dest_struct *tds,*ntds; if (!trf_sp) return 0; i = trf_hash(old); for (ts = trf_sp[i]; ts; ts = ts->next) { if (ts->old == old) { if (ts->new_item && (ts->new_item != new_item)) { fprintf(stderr, "ERROR IN trf_commit:\n"); *(int *) NULL = 0; }else{ ts->new_item = new_item; for (tds = ts->dests; tds; tds = ntds) { *tds->dest = new_item; ntds = tds->next; free((char *)tds); } } return 0; } } ts = (struct trf_struct *)calloc(sizeof(struct trf_struct),1); ts->next = trf_sp[i]; trf_sp[i] = ts; ts->new_item = new_item; ts->old = old; return 0; } void trf_link(long old, long *dest) { long i; struct trf_struct *ts,*fts; struct trf_dest_struct *tds; if (!trf_sp) return; i = trf_hash(old); fts = 0; for (ts = trf_sp[i]; ts; ts = ts->next) { if (ts->old == old) { fts = ts; break;} } if (!fts) { ts = (struct trf_struct *)calloc(sizeof(struct trf_struct),1); ts->next = trf_sp[i]; trf_sp[i] = ts; ts->old = old; fts = ts; } tds = (struct trf_dest_struct *)calloc(sizeof(struct trf_dest_struct),1); tds->next = fts->dests; fts->dests = tds; tds->dest = dest; } int trf_begin(void) { if (trf_level==0){ trf_sp = (struct trf_struct **)calloc(sizeof(struct trf_struct *),TRF_HASH_SIZE); } trf_level ++; return 0; } int trf_commit(int errors) /* if errors == 1 then print errors and CORE */ { int i; struct trf_dest_struct *tds,*ntds; struct trf_struct *ts,*nts; trf_level --; if (!trf_level) { for (i = 0; i < TRF_HASH_SIZE; i++) { for (ts = trf_sp[i]; ts; ts = nts) { if (errors) { if (ts->dests) { fprintf(stderr, "ERROR IN trf_commit:\n"); *(int *) NULL = 0; } } else { for (tds = ts->dests; tds; tds = ntds) { ntds = tds->next; free((char *)tds); } } nts = ts->next; free((char *)ts); } } free((char *)trf_sp); trf_sp = 0; } return 0; } /***************************************** bytestring functions *************************************/ int aisc_server_dllint_2_bytestring(dllpublic_ext * pb,bytestring *bs,int offset) { int *ptr; dllheader_ext * mh; if (bs->data) free(bs->data); bs->data = 0; bs->size = 0; if (pb->cnt == 0) return 0; bs->size = sizeof(int) * pb->cnt; ptr = (int *)malloc(bs->size); bs->data = (char *)ptr; for (mh=pb->first;mh;mh=mh->next) { *(ptr++) = *(int *) (((char *)mh)+offset); } return 0; } int aisc_server_dllstring_2_bytestring(dllpublic_ext * pb,bytestring *bs,int offset) { int size; int *ptr; dllheader_ext * mh; char *strptr,*str; int stringlenghts; if (bs->data) free(bs->data); bs->data = 0; bs->size = 0; if (pb->cnt == 0) return 0; size = sizeof(int) * (pb->cnt+1); stringlenghts = 0; for (mh=pb->first;mh;mh=mh->next) { str = *(char **) (((char *)mh)+offset); if (str) { stringlenghts += strlen(str)+1; } } bs->size = size+stringlenghts; ptr = (int *)malloc(bs->size); bs->data = (char *)ptr; strptr = ((char *)ptr)+size; for (mh=pb->first;mh;mh=mh->next) { str = *(char **) (((char *)mh)+offset); if (str) { size = strlen(str); memcpy(strptr,str,size+1); *(ptr++) = strptr - bs->data; strptr += size +1; }else{ *(ptr++) = 0; } } *(ptr++) = -1; return 0; } ./arbsrc_9167/AISC_COM/C/struct_man.h0000644012664100000130000000254611440743000017066 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef P_ # if defined(__STDC__) || defined(__cplusplus) # define P_(s) s # else # define P_(s) () # endif #else # error P_ already defined elsewhere #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* struct_man.c */ struct aisc_hash_node; struct aisc_hash_node **aisc_init_hash P_((int size)); int aisc_hash P_((char *key, int size)); void aisc_free_key P_((struct aisc_hash_node **table, char *key)); void aisc_free_hash P_((struct aisc_hash_node **table)); void aisc_insert_hash P_((struct aisc_hash_node **table, char *key, long data)); long aisc_read_hash P_((struct aisc_hash_node **table, char *key)); const char *aisc_link P_((dllpublic_ext *parent, dllheader_ext *mh)); const char *aisc_unlink P_((dllheader_ext *mh)); long aisc_find_lib P_((dllpublic_ext *parent, char *ident)); int trf_hash P_((long p)); long trf_create P_((long old, long new_item)); void trf_link P_((long old, long *dest)); int trf_begin P_((void)); int trf_commit P_((int errors)); int aisc_server_dllint_2_bytestring P_((dllpublic_ext *pb, bytestring *bs, int offset)); int aisc_server_dllstring_2_bytestring P_((dllpublic_ext *pb, bytestring *bs, int offset)); #ifdef __cplusplus } #endif #undef P_ ./arbsrc_9167/AISC_COM/C/trace.h0000644012664100000130000000523611440743000016004 0ustar arb_buildcoders// =============================================================== // // // // File : trace.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef TRACE_H #define TRACE_H #if defined(DEBUG) // #define DUMP_COMMUNICATION #endif /* DEBUG */ /* -------------------------------------------------------------------------------- */ #if defined(DUMP_COMMUNICATION) static void aisc_dump_hex(const char *title, const char *data, int datasize) { const unsigned char *udata = (const unsigned char *)data; int d; fprintf(stderr, "%s", title); for (d = 0; d is father) z.B. os* Vector of unfold substructures ACC Accessiongrants , read and write r, readonly w, writeonly c, createonly rw, read and write privat, public, SAVE Gibt die Versionsnummer beim Speichern und Laden an COND Abfrage auf Bedingung 'index' ist die Nummer beim Zugriff auf indizierte Objekte 'THIS' ist die Eingabestruktur (Achtung: Die Zeichern '->' oder '.' sind schon enthalten Also falls in einer Struktur x und y exestieren und x soll groesser als y sein dann COND (~THISx>THISy~) CONDE Der Fehlertext ./arbsrc_9167/AISC_COM/Makefile0000644012664100000130000000065611213220012016003 0ustar arb_buildcoders# # This directory contains the general parts of the ARB communication interface # # Directory AISC # contains the AISC-code (AISC=ARB Integrated Source Codegenerator?) # used to build up communication interfaces. # # Directory C # contains general client/server code (used for all interfaces) # # The specific interfaces are build in $(ARBHOME)/XXXX_COM directories # and rely on the code here. proto: $(MAKE) -C C proto ./arbsrc_9167/AISC/Makefile0000644012664100000130000000242612050705370015321 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .depend OBJECTS = aisc.o aisc_commands.o aisc_var_ref.o aisc_mix.o BINARY=aisc $(MAIN): $(BINARY) $(BINARY): $(OBJECTS) $(CPP) $(cflags) -o $@ $(OBJECTS) .c.o: $(CPP) -x c++ $(cflags) -c $< $(AINCLUDES) DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ clean: rm -f $(OBJECTS) $(BINARY) proto: ../AISC_MKPTPS/aisc_mkpt -C -G -w aisc_proto.h *.c >aisc_proto.h.tmp ../SOURCE_TOOLS/mv_if_diff aisc_proto.h.tmp aisc_proto.h # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl aisc.o: aisc.h aisc.o: aisc_proto.h aisc.o: $(ARBHOME)/INCLUDE/attributes.h aisc_commands.o: aisc.h aisc_commands.o: aisc_proto.h aisc_commands.o: $(ARBHOME)/INCLUDE/attributes.h aisc_mix.o: aisc.h aisc_mix.o: aisc_proto.h aisc_mix.o: $(ARBHOME)/INCLUDE/attributes.h aisc_var_ref.o: aisc.h aisc_var_ref.o: aisc_proto.h aisc_var_ref.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/AISC_MKPTPS/Makefile0000644012664100000130000000077611440743000016417 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .depend OBJECTS = mkptypes.o BINARY = aisc_mkpt $(MAIN): $(BINARY) $(BINARY): $(OBJECTS) $(ACC) $(cflags) -o $@ $(OBJECTS) .c.o: $(ACC) $(cflags) -c $< $(POST_COMPILE) clean: rm -f $(OBJECTS) $(BINARY) depends: @echo "No depends here" # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ./arbsrc_9167/AISC_MKPTPS/mkptypes.c0000644012664100000130000012473711440743000017003 0ustar arb_buildcoders/* Program to extract function declarations from C source code * Written by Eric R. Smith and placed in the public domain * Thanks to: * Jwahar R. Bammi, for catching several bugs and providing the Unix makefiles * Byron T. Jenings Jr. for cleaning up the space code, providing a Unix * manual page, and some ANSI and C++ improvements. * Skip Gilbrech for code to skip parameter names in prototypes. * ... and many others for helpful comments and suggestions. */ /* if your compiler claims to be ANSI but doesn't have stddef.h or stdlib.h, * change the next line. * (and then complain to the supplier of the defective compiler) */ /* * many extension were made for use in ARB build process * by Ralf Westram */ #include #include #include #include #include #include #include #ifndef EXIT_SUCCESS #define EXIT_SUCCESS 0 #define EXIT_FAILURE 1 #endif static void Version(void); #define check_heap_sanity() do{ char *x = malloc(10); free(x); }while(0) #if defined(DEBUG) /* #define DEBUG_PRINTS */ #endif /* DEBUG */ #ifdef DEBUG_PRINTS /* #define DEBUG_PRINT(s) do{ fputs((s), stderr); check_heap_sanity(); }while(0) */ #define DEBUG_PRINT(s) fputs((s), stderr) #else #define DEBUG_PRINT(s) #endif #define PRINT(s) fputs((s), stdout) #define ISCSYM(x) ((x) > 0 && (isalnum(x) || (x) == '_')) #define ABORTED ( (Word *) -1 ) #define MAXPARAM 20 /* max. number of parameters to a function */ #define NEWBUFSIZ (20480*sizeof(char)) /* new buffer size */ static int dostatic = 0; /* include static functions? */ static int doinline = 0; /* include inline functions? */ static int donum = 0; /* print line numbers? */ static int define_macro = 1; /* define macro for prototypes? */ static int use_macro = 1; /* use a macro for prototypes? */ static int use_main = 0; /* add prototype for main? */ static int no_parm_names = 0; /* no parm names - only types */ static int print_extern = 0; /* use "extern" before function declarations */ static int dont_promote = 0; /* don't promote prototypes */ static int promote_lines = 0; /* promote 'AISC_MKPT_PROMOTE'-lines */ static int aisc = 0; /* aisc compatible output */ static int cansibycplus = 0; /* produce extern "C" */ static int promote_extern_c = 0; /* produce extern "C" into prototype */ static int extern_c_seen = 0; /* true if extern "C" was parsed */ static int search__attribute__ = 0; /* search for gnu-extension __attribute__(()) ? */ static int search__ATTR__ = 0; /* search for ARB-__attribute__-macros (__ATTR__) ? */ static const char *include_wrapper = NULL; /* add include wrapper (contains name of header or NULL) */ static int inquote = 0; /* in a quote?? */ static int newline_seen = 1; /* are we at the start of a line */ static int glastc = ' '; /* last char. seen by getsym() */ static char *current_file = 0; /* name of current file */ static char *current_dir = 0; /* name of current directory */ static char *header_comment = 0; /* comment written into header */ static long linenum = 1L; /* line number in current file */ static char const *macro_name = "P_"; /* macro to use for prototypes */ static char const *ourname; /* our name, from argv[] array */ /* ------------------------------------------------------------ */ static void errorAt(long line, const char *msg) { printf("\n" "#line %li \"%s/%s\"\n" "#error in aisc_mkpt: %s\n", line, current_dir, current_file, msg); } static void error(const char *msg) { errorAt(linenum, msg); } /* char *sym_part = 0;*/ /* create only prototypes starting with 'sym_start' */ /* int sym_part_len = 0; */ typedef struct sym_part { char *part; int len; /* strlen(part) */ struct sym_part *next; } SymPart; static SymPart *symParts = 0; /* create only prototypes for parts in this list */ static void addSymParts(const char *parts) { char *p = strdup(parts); const char *sep = ","; char *s = strtok(p, sep); while (s) { SymPart *sp = malloc(sizeof(*sp)); sp->part = strdup(s); sp->len = strlen(s); sp->next = symParts; symParts = sp; s = strtok(0, sep); } free(p); } static int containsSymPart(const char *name) { SymPart *sp = symParts; int contains = 0; while (sp && !contains) { contains = strstr(name, sp->part)!=0; sp = sp->next; } return contains; } static void freeSymParts() { SymPart *next = symParts; while (next) { SymPart *del = next; next = del->next; free(del->part); free(del); } } typedef struct word { struct word *next; char string[1]; } Word; /* #include "mkptypes.h" */ /* * Routines for manipulating lists of words. */ static Word *word_alloc(const char *s) { Word *w; /* note that sizeof(Word) already contains space for a terminating null * however, we add 1 so that typefixhack can promote "float" to "double" * by just doing a strcpy. */ w = (Word *) malloc(sizeof(Word) + strlen(s) + 1); strcpy(w->string, s); w->next = NULL; return w; } static void word_free(Word *w) { Word *oldw; while (w) { oldw = w; w = w->next; free((char *)oldw); } } /* return the length of a list; empty words are not counted */ static int List_len(Word *w) { int count = 0; while (w) { if (*w->string) count++; w = w->next; } return count; } /* Append two lists, and return the result */ static Word *word_append(Word *w1, Word *w2){ Word *r, *w; r = w = word_alloc(""); while (w1) { w->next = word_alloc(w1->string); w = w->next; w1 = w1->next; } while (w2) { w->next = word_alloc(w2->string); w = w->next; w2 = w2->next; } return r; } /* see if the last entry in w2 is in w1 */ static int foundin(Word *w1, Word *w2){ while (w2->next) w2 = w2->next; while (w1) { if (strcmp(w1->string, w2->string)==0) return 1; w1 = w1->next; } return 0; } /* add the string s to the given list of words */ static void addword(Word *w, const char *s){ while (w->next) w = w->next; w->next = word_alloc(s); DEBUG_PRINT("addword: '"); DEBUG_PRINT(s); DEBUG_PRINT("'\n"); } /* typefixhack: promote formal parameters of type "char", "unsigned char", "short", or "unsigned short" to "int". */ static void typefixhack(Word *w){ Word *oldw = 0; if (dont_promote) return; while (w) { if (*w->string) { if ((strcmp(w->string, "char")==0 || strcmp(w->string, "short")==0) && (List_len(w->next) < 2) ) { /* delete any "unsigned" specifier present -- yes, it's supposed to do this */ if (oldw && strcmp(oldw->string, "unsigned")==0) { oldw->next = w->next; free((char *)w); w = oldw; } strcpy(w->string, "int"); } else if (strcmp(w->string, "float")==0 && List_len(w->next) < 2 ) { strcpy(w->string, "double"); } } w = w->next; } } /* read a character: if it's a newline, increment the line count */ static int ngetc(FILE *f){ int c; c = getc(f); if (c == '\n') linenum++; return c; } #define MAX_COMMENT_SIZE 10000 static char last_comment[MAX_COMMENT_SIZE]; static int lc_size = 0; static char *found__attribute__ = 0; static char *found__ATTR__ = 0; static void clear_found_attribute() { free(found__attribute__); found__attribute__ = 0; free(found__ATTR__ ); found__ATTR__ = 0; } static void search_comment_for_attribute() { char *att; if (found__attribute__ || found__ATTR__) return; // only take first __attribute__ last_comment[lc_size] = 0; // close string att = strstr(last_comment, "__attribute__"); if (att != 0) { char *a = att+13; int parens = 1; while (*a && *a != '(') ++a; // search '(' if (*a++ == '(') { // if '(' found while (parens && *a) { switch (*a++) { case '(': parens++; break; case ')': parens--; break; } } *a = 0; DEBUG_PRINT("__attribute__ found!\n"); found__attribute__ = strdup(att); if (search__ATTR__) { error("found '__attribute__' but expected '__ATTR__..'"); } } } att = strstr(last_comment, "__ATTR__"); if (att != 0) { char *a = att+8; while (*a && (isalnum(*a) || *a == '_')) ++a; // goto end of name if (*a == '(') { int parens = 1; a++; while (parens && *a) { switch (*a++) { case '(': parens++; break; case ')': parens--; break; } } *a = 0; DEBUG_PRINT("__ATTR__ with parameters found!\n"); found__ATTR__ = strdup(att); } else { *a = 0; DEBUG_PRINT("__ATTR__ w/o parameters found!\n"); found__ATTR__ = strdup(att); } if (search__attribute__) { error("found '__ATTR__..' but expected '__attribute__'"); } } if (found__attribute__ && found__ATTR__) { error("Either specify __attribute__ or __ATTR__... - not both\n"); } } struct promotion; struct promotion { char *to_promote; // text to promote to header struct promotion *next; }; static struct promotion *promotions = 0; static void add_promotion(char *to_promote) { struct promotion *new_promotion = malloc(sizeof(struct promotion)); new_promotion->to_promote = to_promote; new_promotion->next = 0; if (!promotions) { promotions = new_promotion; } else { // append struct promotion *last = promotions; while (last->next) last = last->next; last->next = new_promotion; } } static void print_promotions() { struct promotion *p = promotions; if (promotions) fputc('\n', stdout); while (p) { struct promotion *next = p->next; printf("%s\n", p->to_promote); free(p->to_promote); free(p); p = next; } if (promotions) fputc('\n', stdout); promotions = 0; } static const char *promotion_tag = "AISC_MKPT_PROMOTE:"; static int promotion_tag_len = 18; static void search_comment_for_promotion() { char *promotion_found; last_comment[lc_size] = 0; // close string promotion_found = strstr(last_comment, promotion_tag); while (promotion_found) { char *behind_promo = promotion_found+promotion_tag_len; char *eol, *eoc; assert(behind_promo[-1] == ':'); // wrong promotion_tag_len eol = strchr(behind_promo, '\n'); eoc = strstr(behind_promo, "*/"); if (eoc && eol) { if (eoc= 0 && (c == '\t' || c == ' ') ); /* check for #line */ if (c == 'l') { c = fnextch(f); if (c != 'i') /* not a #line directive */ goto skip_rest_of_line; do { c = fnextch(f); } while (c >= 0 && c != '\n' && !isdigit(c)); } /* if we have a digit it's a line number, from the preprocessor */ if (c >= 0 && isdigit(c)) { p = numbuf; for (n = 8; n >= 0; --n) { *p++ = c; c = fnextch(f); if (c <= 0 || !isdigit(c)) break; } *p = 0; linenum = atol(numbuf) - 1; } /* skip the rest of the line */ skip_rest_of_line: while (c >= 0 && c != '\n') c = fnextch(f); if (c < 0) return c; } newline_seen = (c == '\n'); if (c == '\'' || c == '\"') { char buffer[11]; int index = 0; long quoteStartLine = linenum; DEBUG_PRINT("nextch: in a quote\n"); inquote = c; while ( (c = fnextch(f)) >= 0 ) { if (c == inquote) { buffer[index] = 0; DEBUG_PRINT("quoted content='"); DEBUG_PRINT(buffer); DEBUG_PRINT("'\n"); DEBUG_PRINT("nextch: out of quote\n"); if (linenum != quoteStartLine) { error("multiline quotes"); errorAt(quoteStartLine, "quotes opened here"); } if (inquote=='\"' && strcmp(buffer, "C")==0) { inquote = 0; return '$'; /* found "C" (needed for 'extern "C"')*/ } inquote = 0; return '0'; } else { if (index<10) buffer[index++] = c; } } error("EOF in a quote"); errorAt(quoteStartLine, "quote started here"); DEBUG_PRINT("nextch: EOF in a quote\n"); } return c; } /* * Get the next symbol from the file, skipping blanks. * Return 0 if OK, -1 for EOF. * Also collapses everything between { and } */ static int getsym(char *buf, FILE *f){ int c; int inbrack = 0; #if defined(DEBUG_PRINTS) char *bufStart = buf; #endif /* DEBUG_PRINTS */ c = glastc; while ((c > 0) && isspace(c)) { c = nextch(f); } if (c < 0) { DEBUG_PRINT("EOF read in getsym\n"); return -1; } if (c == '{') { long bracketStartLine = linenum; inbrack = 1; DEBUG_PRINT("getsym: in '{'\n"); while (inbrack) { c = nextch(f); if (c < 0) { error("EOF seen in bracket loop (unbalanced brackets?)"); errorAt(bracketStartLine, "bracket opened here"); DEBUG_PRINT("getsym: EOF seen in bracket loop\n"); glastc = c; return c; } if (c == '{') { inbrack++; #if defined(DEBUG_PRINTS) fprintf(stderr, "inbrack=%i (line=%li)\n", inbrack, linenum); #endif /* DEBUG_PRINTS */ } else if (c == '}') { inbrack--; #if defined(DEBUG_PRINTS) fprintf(stderr, "inbrack=%i (line=%li)\n", inbrack, linenum); #endif /* DEBUG_PRINTS */ } } strcpy(buf, "{}"); glastc = nextch(f); DEBUG_PRINT("getsym: returning brackets '"); } else if (!ISCSYM(c)) { *buf++ = c; *buf = 0; glastc = nextch(f); DEBUG_PRINT("getsym: returning special symbol '"); } else { while (ISCSYM(c)) { *buf++ = c; c = nextch(f); } *buf = 0; glastc = c; DEBUG_PRINT("getsym: returning word '"); } DEBUG_PRINT(bufStart); DEBUG_PRINT("'\n"); return 0; } /* * skipit: skip until a ";" or the end of a function declaration is seen */ static int skipit(char *buf, FILE *f){ int i; do { DEBUG_PRINT("in skipit loop\n"); i = getsym(buf, f); if (i < 0) return i; DEBUG_PRINT("skipit: '"); DEBUG_PRINT(buf); DEBUG_PRINT("'\n"); } while (*buf != ';' && *buf != '{'); return 0; } /* * find most common type specifiers for purpose of ruling them out as * parm names */ static int is_type_word(char *s){ static const char *typewords[] = { "char", "const", "double", "enum", "float", "int", "long", "short", "signed", "struct", "union", "unsigned", "void", "volatile", (char *)0 }; const char **ss; for (ss = typewords; *ss; ++ss) if (strcmp(s, *ss) == 0) return 1; return 0; } /* Ad-hoc macro to recognize parameter name for purposes of removal. * Idea is to remove the bulk of easily recognized parm names without * losing too many type specifiers. (sg) */ #define IS_PARM_NAME(w) \ (ISCSYM(*(w)->string) && !is_type_word((w)->string) && \ (!(w)->next || *(w)->next->string == ',' || \ *(w)->next->string == '[')) /* * given a list representing a type and a variable name, extract just * the base type, e.g. "struct word *x" would yield "struct word" */ static Word *typelist(Word *p){ Word *w, *r; r = w = word_alloc(""); while (p && p->next) { /* handle int *x --> int */ if (p->string[0] && !ISCSYM(p->string[0])) break; /* handle int x[] --> int */ if (p->next->string[0] == '[') break; w->next = word_alloc(p->string); w = w->next; p = p->next; } return r; } /* * Get a parameter list; when this is called the next symbol in line * should be the first thing in the list. */ static Word *getparamlist(FILE *f){ static Word *pname[MAXPARAM]; /* parameter names */ Word *tlist, /* type name */ *plist; /* temporary */ int np = 0; /* number of parameters */ int typed[MAXPARAM]; /* parameter has been given a type */ int tlistdone; /* finished finding the type name */ int sawsomething; int i; int inparen = 0; char buf[80]; DEBUG_PRINT("in getparamlist\n"); for (i = 0; i < MAXPARAM; i++) typed[i] = 0; plist = word_alloc(""); /* first, get the stuff inside brackets (if anything) */ sawsomething = 0; /* gets set nonzero when we see an arg */ for (;;) { if (getsym(buf, f) < 0) return NULL; if (*buf == ')' && (--inparen < 0)) { if (sawsomething) { /* if we've seen an arg */ pname[np] = plist; plist = word_alloc(""); np++; } break; } if (*buf == ';') { /* something weird */ return ABORTED; } sawsomething = 1; /* there's something in the arg. list */ if (*buf == ',' && inparen == 0) { pname[np] = plist; plist = word_alloc(""); np++; } else { addword(plist, buf); if (*buf == '(') inparen++; } } /* next, get the declarations after the function header */ inparen = 0; tlist = word_alloc(""); plist = word_alloc(""); tlistdone = 0; sawsomething = 0; for(;;) { if (getsym(buf, f) < 0) return NULL; /* handle a list like "int x,y,z" */ if (*buf == ',' && !inparen) { if (!sawsomething) return NULL; for (i = 0; i < np; i++) { if (!typed[i] && foundin(plist, pname[i])) { typed[i] = 1; word_free(pname[i]); pname[i] = word_append(tlist, plist); /* promote types */ typefixhack(pname[i]); break; } } if (!tlistdone) { tlist = typelist(plist); tlistdone = 1; } word_free(plist); plist = word_alloc(""); } /* handle the end of a list */ else if (*buf == ';') { if (!sawsomething) return ABORTED; for (i = 0; i < np; i++) { if (!typed[i] && foundin(plist, pname[i])) { typed[i] = 1; word_free(pname[i]); pname[i] = word_append(tlist, plist); typefixhack(pname[i]); break; } } tlistdone = 0; word_free(tlist); word_free(plist); tlist = word_alloc(""); plist = word_alloc(""); } /* handle the beginning of the function */ else if (strcmp(buf, "{}")==0) break; /* otherwise, throw the word into the list (except for "register") */ else if (strcmp(buf, "register")) { addword(plist, buf); if (*buf == '(') inparen++; else if (*buf == ')') inparen--; else sawsomething = 1; } } /* Now take the info we have and build a prototype list */ /* empty parameter list means "void" */ if (np == 0) return word_alloc("void"); plist = tlist = word_alloc(""); /* how to handle parameters which contain only one word ? * * void -> void * xxx -> int xxx (if AUTO_INT is defined) * int -> int dummyXX (otherwise) */ /* #define AUTO_INT */ { #if !defined(AUTO_INT) int dummy_counter = 1; char dummy_name[] = "dummy_xx"; #define DUMMY_COUNTER_POS 6 #endif for (i = 0; i < np; i++) { #if !defined(AUTO_INT) int add_dummy_name = 0; #endif { Word *pn_list = pname[i]; int cnt = 0; int is_void = 0; while (pn_list) { /* count words */ if (pn_list->string[0]) { ++cnt; if (strcmp(pn_list->string, "void")==0) is_void = 1; } pn_list = pn_list->next; } if (cnt==1 && !is_void) { /* only name, but not void */ /* no type or no parameter name */ #ifdef AUTO_INT /* If no type provided, make it an "int" */ addword(tlist, "int"); /* add int to tlist before adding pname[i] */ #else add_dummy_name = 1; /* add a dummy name after adding pname[i] */ #endif } } while (tlist->next) tlist = tlist->next; tlist->next = pname[i]; #if !defined(AUTO_INT) if (add_dummy_name) { assert(dummy_counter<100); dummy_name[DUMMY_COUNTER_POS] = (dummy_counter/10)+'0'; dummy_name[DUMMY_COUNTER_POS] = (dummy_counter%10)+'0'; addword(tlist, dummy_name); dummy_counter++; } #endif if (i < np - 1) addword(tlist, ","); } } /* debugging output */ #if 0 printf("/* "); tlist = plist; while (tlist) { printf("'%s', ", tlist->string); tlist = tlist->next; } printf(" */\n"); #endif return plist; } /* * emit a function declaration. The attributes and name of the function * are in wlist; the parameters are in plist. */ static void emit(Word *wlist, Word *plist, long startline) { Word *w; int count = 0; int needspace = 0; int isstatic = 0; int ismain = 0; int refs = 0 ; if (promote_lines) print_promotions(); for (w = wlist; w; w = w->next) { if (w->string[0]) { count ++; if (strcmp(w->string, "static") == 0) isstatic = 1; else if (strcmp(w->string, "main" ) == 0) ismain = 1; } } if (ismain && !use_main) return; if (aisc) { if (count < 2) { printf("int\t"); w = wlist; } else { refs = 0; for (w = wlist; w; w = w->next) { if (w->string[0]) { printf("%s,\t", w->string); w = w->next; break; } } } for (;w; w = w->next) { if (w->string[0] == '*') { refs++; continue; } if (w->string[0]) { printf("%s,", w->string); break; } } if (refs) { printf("\tlink%i,\t{\n", refs); refs = 0; }else{ printf("\tterm,\t{\n"); } refs = 0; printf("\t@TYPE,\t@IDENT,\t@REF;\n"); if (strcmp(plist->string, "void")) { /* if parameter is not 'void' */ int name_seen = 0; int unnamed_counter = 1; for (w = plist; w; w = w->next) { if (w->string[0] == '*') { refs++; name_seen = 0; continue; } if (w->string[0] == ',') { if (refs) { printf("\tlink%i;\n", refs); refs = 0; continue; } else { printf("\tterm;\n"); continue; } } if (w->string[0]) { printf("\t%s,", w->string); name_seen = 1; } } if (refs) { if (!name_seen) { /* automatically insert missing parameter names */ printf("\tunnamed%i,", unnamed_counter++); } printf("\tlink%i;\n", refs); refs = 0; } else { printf("\tterm;\n"); } } printf("};\n\n"); return; } DEBUG_PRINT("emit called\n"); if (donum) printf("/*%8ld */ ", startline); /* if the -e flag was given, and it's not a static function, print "extern" */ if (print_extern && !isstatic) { printf("extern "); } if (count < 2) { printf("int"); needspace = 1; } for (w = wlist; w; w = w->next) { if (needspace) putchar(' '); printf("%s", w->string); needspace = ISCSYM(w->string[0]); } if (use_macro) printf(" %s((", macro_name); else putchar('('); needspace = 0; for (w = plist; w; w = w->next) { if (no_parm_names && IS_PARM_NAME(w)) continue; if (w->string[0] == ',') needspace = 1; else if (w->string[0] == '[') needspace = 0; else { if (needspace) putchar(' '); needspace = ISCSYM(w->string[0]); } printf("%s", w->string); } if (use_macro) PRINT("))"); else PRINT(")"); if (found__attribute__) { PRINT(" "); PRINT(found__attribute__); } if (found__ATTR__ ) { PRINT(" "); PRINT(found__ATTR__ ); } PRINT(";\n"); } /* * parse all function declarations and print to STDOUT */ static void getdecl(FILE *f, const char *header) { Word *plist, *wlist = NULL; char buf[80]; int sawsomething; long startline; /* line where declaration started */ int oktoprint; int header_printed = 0; current_file = strdup(header); again: DEBUG_PRINT("again\n"); word_free(wlist); wlist = word_alloc(""); sawsomething = 0; oktoprint = 1; extern_c_seen = 0; for(;;) { DEBUG_PRINT("main getdecl loop\n"); if (getsym(buf,f) < 0) { DEBUG_PRINT("EOF in getdecl loop\n"); return; } DEBUG_PRINT("getdecl: '"); DEBUG_PRINT(buf); DEBUG_PRINT("'\n"); /* try to guess when a declaration is not an external function definition */ if (strcmp(buf, ",")==0 || strcmp(buf, "=")==0 || strcmp(buf, "typedef")==0 || strcmp(buf, "[")==0) { skipit(buf, f); goto again; } if (strcmp(buf, "{}")==0) { if (!extern_c_seen) skipit(buf, f); goto again; } if (strcmp(buf, "extern")==0) { if (getsym(buf, f)<0) { DEBUG_PRINT("EOF in getdecl loop\n"); return; } DEBUG_PRINT("test auf extern \"C\": '"); DEBUG_PRINT(buf); DEBUG_PRINT("'\n"); if (strcmp(buf, "$")==0) { /* symbol used if "C" was found */ extern_c_seen = 1; if (promote_extern_c) { addword(wlist, "extern"); addword(wlist, "\"C\" "); sawsomething = 1; } continue; } skipit(buf, f); goto again; } if (oktoprint && !dostatic && strcmp(buf, "static")==0) { oktoprint = 0; } if (oktoprint && !doinline && strcmp(buf, "inline")==0) { oktoprint = 0; } /* for the benefit of compilers that allow "inline" declarations */ /* if (strcmp(buf, "inline") == 0 && !sawsomething) continue; */ if (strcmp(buf, ";") == 0) goto again; /* A left parenthesis *might* indicate a function definition */ if (strcmp(buf, "(")==0) { startline = linenum; if (!sawsomething || !(plist = getparamlist(f))) { skipit(buf, f); goto again; } if (plist == ABORTED) goto again; /* It seems to have been what we wanted */ if (oktoprint) { /* check function-name */ Word *w; for (w=wlist; w->next && oktoprint; w=w->next) { if (w->string[0]==':' && w->string[1]==0) oktoprint = 0; /* do not emit prototypes for member functions */ } if (oktoprint && symParts && !containsSymPart(w->string)) { /* name does not contain sym_part */ oktoprint = 0; /* => do not emit prototype */ } } if (oktoprint) { if (!header_printed) { if (aisc) printf("\n# %s\n", header); else printf("\n/* %s */\n", header); header_printed = 1; } emit(wlist, plist, startline); } clear_found_attribute(); word_free(plist); goto again; } addword(wlist, buf); sawsomething = 1; } } static void Usage(void){ fprintf(stderr, "Usage: %s [flags] [files ...]", ourname); fputs("\nSupported flags:" "\n -a make a funcion list for aisc_includes (default: generate C prototypes)" "\n" "\n -e put an explicit \"extern\" keyword in declarations" "\n" "\n -n put line numbers of declarations as comments" "\n" "\n -s promote declarations for static functions" "\n -i promote declarations for inline functions" "\n -m promote declaration of 'main()' (default is to skip it)" "\n -F part[,part]* only promote declarations for functionnames containing one of the parts" "\n" "\n -W don't promote types in old style declarations" "\n -x omit parameter names in prototypes" "\n" "\n -p sym use \"sym\" as the prototype macro (default \"P_\")" "\n -z omit prototype macro definition" "\n -A omit prototype macro; header files are strict ANSI" "\n" "\n -C insert 'extern \"C\"'" "\n -E prefix 'extern \"C\"' at prototype" "\n" "\n -g search for GNU extension __attribute__ in comment behind function header" "\n -G search for ARB macro __ATTR__ in comment behind function header" "\n" "\n -P promote /*AISC_MKPT_PROMOTE:forHeader*/ to header" "\n" "\n -w add standard include wrapper" "\n" "\n -c \"text\" add text as comment into header" "\n" "\n -V print version number" "\n" , stderr); exit(EXIT_FAILURE); } int main(int argc, char **argv){ FILE *f; char *t, *iobuf; int exit_if_noargs = 0; if (argv[0] && argv[0][0]) { ourname = strrchr(argv[0], '/'); if (!ourname) ourname = argv[0]; } else { ourname = "mkptypes"; } argv++; argc--; iobuf = (char *)malloc(NEWBUFSIZ); while (*argv && **argv == '-') { t = *argv++; --argc; t++; while (*t) { if (*t == 'e') print_extern = 1; else if (*t == 'A') use_macro = 0; else if (*t == 'C') cansibycplus = 1; else if (*t == 'E') promote_extern_c = 1; else if (*t == 'W') dont_promote = 1; else if (*t == 'a') aisc = 1; else if (*t == 'g') search__attribute__ = 1; else if (*t == 'G') search__ATTR__ = 1; else if (*t == 'n') donum = 1; else if (*t == 's') dostatic = 1; else if (*t == 'i') doinline = 1; else if (*t == 'x') no_parm_names = 1; /* no parm names, only types (sg) */ else if (*t == 'z') define_macro = 0; else if (*t == 'P') promote_lines = 1; else if (*t == 'm') use_main = 1; else if (*t == 'p') { t = *argv++; --argc; if (!t) Usage(); use_macro = 1; macro_name = t; break; } else if (*t == 'c') { t = *argv++; --argc; if (!t) Usage(); header_comment = t; break; } else if (*t == 'w') { t = *argv++; --argc; if (!t) Usage(); include_wrapper = t; break; } else if (*t == 'F') { t = *argv++; --argc; if (!t) Usage(); addSymParts(t); break; } else if (*t == 'V') { exit_if_noargs = 1; Version(); } else Usage(); t++; } } if (search__ATTR__ && search__attribute__) { fputs("Either use option -g or -G (not both)", stderr); exit(EXIT_FAILURE); } if (argc == 0 && exit_if_noargs) { exit(EXIT_FAILURE); } char *include_macro = 0; if (aisc) { if (header_comment) { fputs("# *********************************************************\n", stdout); printf("# %s\n", header_comment); } fputs("# *********************************************************\n" "# This file is generated by aisc_mkpt.\n" "# Any changes you make here will be overwritten later!\n" "# *********************************************************\n" "\n" "@FUNCTION_TYPE, @FUNCTION, @FUNCTION_REF;", stdout); } else { fputs("/*\n", stdout); if (header_comment) printf(" * %s.\n *\n", header_comment); fputs(" * This file is generated by aisc_mkpt.\n" " * Any changes you make here will be overwritten later!\n" " *\n" " */\n\n", stdout); if (include_wrapper) { int p; include_macro = strdup(include_wrapper); for (p = 0; include_macro[p]; p++) { char c = include_macro[p]; c = strchr(".-", c) ? '_' : toupper(c); include_macro[p] = c; } printf("#ifndef %s\n" "#define %s\n" "\n", include_macro, include_macro); } if (use_macro) { if (define_macro) { fprintf(stdout, "#ifndef %s\n" "# if defined(__STDC__) || defined(__cplusplus)\n" "# define %s(s) s\n" "# else\n" "# define %s(s) ()\n" "# endif\n" "#else\n" "# error %s already defined elsewhere\n" "#endif\n\n", macro_name, macro_name, macro_name, macro_name); } else { fprintf(stdout, "#ifndef %s\n" "# error %s is not defined\n" "#endif\n\n", macro_name, macro_name); } } if (search__attribute__) { fputs("/* hide __attribute__'s for non-gcc compilers: */\n" "#ifndef __GNUC__\n" "# ifndef __attribute__\n" "# define __attribute__(x)\n" "# endif\n" "#endif\n\n", stdout); } if (search__ATTR__) { fputs("/* define ARB attributes: */\n" "#ifndef ATTRIBUTES_H\n" "# include \n" "#endif\n\n", stdout); } if (cansibycplus) { fputs("#ifdef __cplusplus\n" "extern \"C\" {\n" "#endif\n\n", stdout); } } current_dir = strdup(getcwd(0,255)); if (argc == 0) { getdecl(stdin, ""); } else { while (argc > 0 && *argv) { DEBUG_PRINT("trying new file '"); DEBUG_PRINT(*argv); DEBUG_PRINT("'\n"); if (!(f = fopen(*argv, "r"))) { perror(*argv); exit(EXIT_FAILURE); } if (iobuf) setvbuf(f, iobuf, _IOFBF, NEWBUFSIZ); linenum = 1; newline_seen = 1; glastc = ' '; getdecl(f, *argv); argc--; argv++; fclose(f); free(current_file); current_file = 0; } } if (aisc) { } else { if (cansibycplus) { fputs("\n#ifdef __cplusplus\n" "}\n" "#endif\n", stdout); } if (use_macro && define_macro) { printf("\n#undef %s\n", macro_name); /* clean up namespace */ } if (include_wrapper) { printf("\n" "#else\n" "#error %s included twice\n" "#endif /* %s */\n", include_wrapper, include_macro); } } free(include_macro); freeSymParts(); free(current_file); free(current_dir); return EXIT_SUCCESS; } static void Version(void) { fprintf(stderr, "%s 1.1 ARB\n", ourname); } ./arbsrc_9167/ALIV3/a3_ali.cxx0000644012664100000130000000611411440743001015625 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include "a3_ali.hxx" using std::cout; // ----------------------------------------------------------------------------- int psolcmp ( const void *a, const void *b ) // ----------------------------------------------------------------------------- { int res = 0, diff = (*(PSolution**)a)->score - (*(PSolution**)b)->score; if (diff < 0) res = -1; else if (diff > 0) res = 1; return res; } // ----------------------------------------------------------------------------- void psoldump ( vp val ) // ----------------------------------------------------------------------------- { PSolution *psol = (PSolution*)val; if (psol) { cout << psol->score << "\n"; psol->match.Dump(hmatchdump); } } // ----------------------------------------------------------------------------- void PSolution::Dump ( void ) // ----------------------------------------------------------------------------- { psoldump((vp)this); } // ----------------------------------------------------------------------------- Aligner::Aligner ( void ) : postree(), prealigned(), helix() // ----------------------------------------------------------------------------- { prealigned.Sort(intcmp); } // ----------------------------------------------------------------------------- Aligner::Aligner ( str seq, str hel, str kon, DArray &pre ) : postree(seq), prealigned(pre), helix(hel,kon, ((PSolution*)pre[pre.Elements() - 1])->match) // ----------------------------------------------------------------------------- { } // ----------------------------------------------------------------------------- void Aligner::Set ( str seq, str hel, str kon, DArray &pre ) // ----------------------------------------------------------------------------- { postree.Set(seq); prealigned.Clear(); prealigned = pre; } // ----------------------------------------------------------------------------- DArray &Aligner::Align ( void ) // ----------------------------------------------------------------------------- { DArray *array = new DArray; int anz = prealigned.Elements(); helix.Set(((PSolution*)prealigned[anz - 1])->match); { DArray &tmp = helix.Helices(1,10); delete &tmp; } return *array; } // ----------------------------------------------------------------------------- void Aligner::Dump ( void ) // ----------------------------------------------------------------------------- { postree.Show(2); prealigned.Dump(psoldump); helix.Dump(1); } ./arbsrc_9167/ALIV3/a3_ali.hxx0000644012664100000130000000470511440743001015636 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_ALI_HXX #define _A3_ALI_HXX // ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include "a3_ptree.hxx" #include "a3_helix.hxx" // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- struct PSolution // Loesung des Prealigners { int score; // Bewertung der Loesung DArray match; // Array of HMatch*, sortiert nach first PSolution ( void ) : match () { score = 0; match.Free(DARRAY_FREE); match.Null(DARRAY_NONULL); }; void Dump ( void ); }; class Aligner // Sekundaerstrukturalignment einer Sequenz { private: Postree postree; // Positionsbaum der Sequenz DArray prealigned; // Array of PSolution*, sortiert nach score A3Helix helix; // Helixstruktur und haeufigste Familiensequenz Aligner ( Aligner &other ); // Kopien verbieten public: Aligner ( void ); Aligner ( str seq, // Zu alignde Sequenz str hel, // Sekundaerstruktur str kon, // Haeufigste Familiensequenz DArray &pre ); // Array of PSolution, sortiert nach score void Set ( str seq, // Zu alignde Sequenz str hel, // Sekundaerstruktur str kon, // Haeufigste Familiensequenz DArray &pre ); // Array of PSolution, sortiert nach score DArray &Align ( void ); void Dump ( void ); }; // ----------------------------------------------------------------------------- // Funktionen // ----------------------------------------------------------------------------- extern int psolcmp ( const void *a, const void *b ); extern void psoldump ( vp val ); // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_arbdb.cxx0000644012664100000130000000533511440743001016136 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include #include #include "a3_arbdb.hxx" // ----------------------------------------------------------------------------- A3Arbdb::~A3Arbdb ( void ) // ----------------------------------------------------------------------------- { if (gb_main) GB_close(gb_main); if (alignment) free ((char *) alignment); } // ----------------------------------------------------------------------------- int A3Arbdb::open ( char *name, char *use_alignment ) // ----------------------------------------------------------------------------- { gb_main = GB_open(name,"rt"); if (!gb_main) { GB_print_error(); return 1; } GB_begin_transaction(gb_main); if (use_alignment) alignment = strdup(use_alignment); else alignment = GBT_get_default_alignment(gb_main); GB_commit_transaction(gb_main); return 0; } // ----------------------------------------------------------------------------- void A3Arbdb::close ( void ) // ----------------------------------------------------------------------------- { GB_close(gb_main); freeset(alignment, 0); } // ----------------------------------------------------------------------------- char *A3Arbdb::get_sequence_string ( const char *name, int and_mark ) // ----------------------------------------------------------------------------- { char *sequence = NULL; GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_FIND); GBDATA *gb_seq = GB_find_string(gb_species_data,"name",name,GB_IGNORE_CASE,down_2_level); if (gb_seq) { if (and_mark) GB_write_flag(GB_get_father(gb_seq),1); gb_seq = GB_brother(gb_seq,alignment); if (gb_seq) { gb_seq = GB_entry(gb_seq,"data"); if (gb_seq) sequence = GB_read_string(gb_seq); } } if (sequence == 0) return 0; return sequence; } int A3Arbdb::put_sequence_string(char *name, char *sequence) { GB_change_my_security(gb_main,6,"passwd"); GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_FIND); GBDATA *gb_seq = GB_find_string(gb_species_data,"name",name,GB_IGNORE_CASE,down_2_level); if (gb_seq) { GBDATA *gb_ali = GB_brother(gb_seq,alignment); if (gb_ali) { GBDATA *gb_data = GB_search(gb_ali,"data",GB_STRING); GB_write_string(gb_data,sequence); free((char *) sequence); } } return 0; } ./arbsrc_9167/ALIV3/a3_arbdb.hxx0000644012664100000130000000273611440743001016145 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_ARBDB_HXX #define _A3_ARBDB_HXX // ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- class A3Arbdb { private: char *alignment; public: GBDATA *gb_main; A3Arbdb (void) { alignment = 0; gb_main = 0; }; ~A3Arbdb (void); int open ( char *name, char *use_alignment = 0 ); void close ( void ); void begin_transaction(void) {GB_begin_transaction(gb_main);}; void commit_transaction(void) {GB_commit_transaction(gb_main);}; char *get_sequence_string ( const char *name, int and_mark = 0 ); int put_sequence_string ( char *name, char *sequence); }; // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_basen.c0000644012664100000130000001373011440743001015572 0ustar arb_buildcoders/* ---------------------------------------------------------------------------- Include-Dateien ---------------------------------------------------------------------------- */ #include "a3_basen.h" /* ---------------------------------------------------------------------------- Globale Variable ---------------------------------------------------------------------------- */ const int BCharacter[BASEN] = { 'A', 'C', 'G', 'U', 'n', '.' }; const double BComplement[BASEN][BASEN] = { /* A C G U n . */ /* A */ { 0.0, 0.0, 0.0, 1.0, 0.0, 0.0 }, /* C */ { 0.0, 0.0, 1.5, 0.0, 0.0, 0.0 }, /* G */ { 0.0, 1.5, 0.0, 0.8, 0.0, 0.0 }, /* U */ { 1.0, 0.0, 0.8, 0.0, 0.0, 0.0 }, /* n */ { 0.0, 0.0, 0.0, 0.0, 1.0, 0.0 }, /* . */ { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 } }; const Base BIndex[CHARS] = { /* 00 01 02 03 04 05 06 07 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 08 09 0A 0B 0C 0D 0E 0F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 10 11 12 13 14 15 16 17 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 18 19 1A 1B 1C 1D 1E 1F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 20 21 22 23 24 25 26 27 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 28 29 2A 2B 2C - . 2F */ INVALID, INVALID, INVALID, INVALID, INVALID, INSERT, ANY, INVALID, /* 30 31 32 33 34 35 36 37 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 38 39 3A 3B 3C 3D 3E 3F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 40 A 42 C 44 45 46 G */ INVALID, ADENIN, INVALID, CYTOSIN, INVALID, INVALID, INVALID, GUANIN, /* 48 49 4A 4B 4C 4D 4E 4F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 50 51 52 53 T U 56 57 */ INVALID, INVALID, INVALID, INVALID, URACIL, URACIL, INVALID, INVALID, /* 58 59 5A 5B 5C 5D 5E 5F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 60 61 62 63 64 65 66 67 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 68 69 6A 6B 6C 6D n 6F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, ONE, INVALID, /* 70 71 72 73 74 75 76 77 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 78 79 7A 7B 7C 7D 7E 7F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 80 81 82 83 84 85 86 87 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 88 89 8A 8B 8C 8D 8E 8F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 90 91 92 93 94 95 96 97 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* 98 99 9A 9B 9C 9D 9E 9F */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* A0 A1 A2 A3 A4 A5 A6 A7 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* A8 A9 AA AB AC AD AE AF */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* B0 B1 B2 B3 B4 B5 B6 B7 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* B8 B9 BA BB BC BD BE BF */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* C0 C1 C2 C3 C4 C5 C6 C7 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* C8 C9 CA CB CC CD CE CF */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* D0 D1 D2 D3 D4 D5 D6 D7 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* D8 D9 DA DB DC DD DE DF */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* E0 E1 E2 E3 E4 E5 E6 E7 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* E8 E9 EA EB EC ED EE EF */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* F0 F1 F2 F3 F4 F5 F6 F7 */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, /* F8 F9 FA FB FC FD FE FF */ INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, INVALID, }; ./arbsrc_9167/ALIV3/a3_basen.h0000644012664100000130000000227611440743001015602 0ustar arb_buildcoders/* ------------------------------------------------------------------------- */ #ifndef _A3_BASEN_H #define _A3_BASEN_H /* ---------------------------------------------------------------------------- Makros und Definitionen ---------------------------------------------------------------------------- */ #define BASEN 6 #define BASENPUR 4 #define CHARS 256 #define INVALID -1 #define INSERT -2 /* ---------------------------------------------------------------------------- Datentypen ---------------------------------------------------------------------------- */ typedef enum { ADENIN = 0, CYTOSIN = 1, GUANIN = 2, URACIL = 3, ONE = 4, ANY = 5 } Base; /* ---------------------------------------------------------------------------- Globale Variable ---------------------------------------------------------------------------- */ extern const int BCharacter [BASEN]; extern const double BComplement[BASEN][BASEN]; extern const Base BIndex [CHARS]; /* ------------------------------------------------------------------------- */ #endif /* ------------------------------------------------------------------------- */ ./arbsrc_9167/ALIV3/a3.cxx0000644012664100000130000001126511440743001015003 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include #include "a3_arbdb.hxx" #include // #include "a3_bihelix.hxx" #include "a3_ali.hxx" using std::cout; using std::ifstream; using std::flush; // ----------------------------------------------------------------------------- static void Usage ( void ) // ----------------------------------------------------------------------------- { cout << "\nAUFRUF: aliv3 \n"; cout << "\n ::= Eine ARB-Datenbank (z.B.: 23sx.arb)."; cout << "\n ::= Name einer RNS-Sequenz (z.B.: ECOLI).\n"; cout << "\nDarueberhinaus muss noch eine Datei matches.txt existieren, in der die Teilloesungen"; cout << "\ndes Prealigners zeilenweise abgelegt sind. Innerhalb einer Zeile muessen die Positions-"; cout << "\npaare der Loesung durch Kommata getrennt sein (z.B.: 5 10, 20 30, ...).\n\n"; } // ----------------------------------------------------------------------------- static DArray *ReadMatches ( str file ) // ----------------------------------------------------------------------------- { short error = 0; DArray *pre = new DArray; ifstream input(file); if (!pre || !input) error = 1; else { str line = NULL; pre->Free(DARRAY_NOFREE); pre->Null(DARRAY_NONULL); while (!error) { // if (!input.gets(&line) && !input.eof()) error = 2; // else if (strlen(line)) { PSolution *psol = new PSolution; if (!psol) error = 3; else { str tmp = strtok(line,","); while (!error && tmp) { HMatch *m = new HMatch; if (!m) error = 4; else { sscanf(tmp,"%d%d",&m->first,&m->last); psol->match.Add(m); psol->score += (m->last - m->first + 1); tmp = strtok(NULL,","); } } if (!error) { psol->match.Sort(hmatchcmp); pre->Add(psol); } } delete line; } if (input.eof()) break; } if (!error) pre->Sort(psolcmp); } if (error) delete pre, pre = NULL; return pre; } // ----------------------------------------------------------------------------- int main ( int argc, char *argv[] ) // ----------------------------------------------------------------------------- { int error = 0; if (argc != 3) Usage(); else { A3Arbdb db; if (db.open(argv[1])) error = 1; else { db.begin_transaction(); str seq = db.get_sequence_string(argv[2]), fam = db.get_sequence_string("EscCol19"); db.commit_transaction(); if (!(seq && fam)) error = 2; else { // DArray *pre = ReadMatches("matches.txt"); cout << "\n" << seq; // cout << "\n" << fam << "\n"; // if (!pre) error = 3; // else { BI_helix helix; const char *err = helix.init(db.gb_main); size_t pos = 0; if (err) cout << err << ", " << helix.size(); while (pos < helix.size()) { if (helix.pairtype(pos) != HELIX_PAIR) cout << "."; else { if (helix.opposite_position(pos) < pos) cout << "]"; else cout << "["; } pos++; } cout << flush; // Aligner ali(seq[2],seq[0],seq[1],*pre); // DArray &tmp = ali.Align(); // delete &tmp; // delete pre; } } if (seq) delete seq; if (fam) delete fam; db.close(); } } if (error) cout << "\nALIV3: Fehler Nummer " << error << " ist aufgetreten!\n\n"; return error; } ./arbsrc_9167/ALIV3/a3_darray.cxx0000644012664100000130000001630611440743001016346 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include #include "a3_darray.hxx" using std::cout; // ----------------------------------------------------------------------------- void DArray::Init ( int num, int inc, int del ) // ----------------------------------------------------------------------------- { elements = num; nextfree = 0; increment = inc; free = del; array = new vp [elements]; memset(array,0,elements * sizeof(vp)); } // ----------------------------------------------------------------------------- void DArray::Grow ( void ) // ----------------------------------------------------------------------------- { vp *save = array; int anz = elements, next = nextfree; Init(elements + increment,increment,free); nextfree = next; memcpy(array,save,anz * sizeof(vp)); delete save; } // ----------------------------------------------------------------------------- void DArray::Shrink ( int num ) // ----------------------------------------------------------------------------- { vp *save = array; Init(num,increment,free); nextfree = num; memcpy(array,save,num * sizeof(vp)); delete save; } // ----------------------------------------------------------------------------- DArray::DArray ( void ) // ----------------------------------------------------------------------------- { Init(DARRAY_SIZE,DARRAY_INC,0); } // ----------------------------------------------------------------------------- DArray::DArray ( int num ) // ----------------------------------------------------------------------------- { if (num > 0) Init(num,DARRAY_INC,0); else Init(DARRAY_SIZE,DARRAY_INC,0); } // ----------------------------------------------------------------------------- DArray::DArray ( int num, int inc, int del ) // ----------------------------------------------------------------------------- { del = !!del; if (num > 0) { if (inc > 0) Init(num,inc,del); else Init(num,DARRAY_INC,del); } else { if (inc > 0) Init(DARRAY_SIZE,inc,del); else Init(DARRAY_SIZE,DARRAY_INC,del); } } // ----------------------------------------------------------------------------- DArray::DArray ( DArray &other ) // ----------------------------------------------------------------------------- { Init(other.elements,other.increment,other.free); nextfree = other.nextfree; memcpy(array,other.array,elements * sizeof(vp)); } // ----------------------------------------------------------------------------- DArray::~DArray ( void ) // ----------------------------------------------------------------------------- { Clear(); } // ----------------------------------------------------------------------------- int DArray::Add ( vp elem ) // ----------------------------------------------------------------------------- { int index = nextfree; if (nextfree == elements) Grow(); array[nextfree++] = elem; return index; } // ----------------------------------------------------------------------------- int DArray::Set ( vp elem, int index ) // ----------------------------------------------------------------------------- { int pos = -1; if (index >= 0) { pos = index; while (pos >= elements) Grow(); array[pos] = elem; nextfree = pos + 1; } return pos; } // ----------------------------------------------------------------------------- int DArray::Del ( int index ) // ----------------------------------------------------------------------------- { int error = 0; if ((index < 0) || (index >= elements)) error = 1; else { if (free && array[index]) delete array[index]; array[index] = NULL; if (nextfree == (index - 1)) nextfree = index; } return error; } // ----------------------------------------------------------------------------- int DArray::Elements ( void ) // ----------------------------------------------------------------------------- { return elements; } // ----------------------------------------------------------------------------- vp DArray::operator [] ( int index ) // ----------------------------------------------------------------------------- { vp elem = NULL; if ((index >= 0) && (index < elements)) elem = array[index]; return elem; } // ----------------------------------------------------------------------------- DArray &DArray::operator = ( DArray &other ) // ----------------------------------------------------------------------------- { if (this != &other) { Init(other.elements,other.increment,other.free); nextfree = other.nextfree; null = other.null; memcpy(array,other.array,elements * sizeof(vp)); } return *this; } // ----------------------------------------------------------------------------- void DArray::Sort ( cmpfunc cmp ) // ----------------------------------------------------------------------------- { if (elements > 1) { int count = 0, anz = elements; if (!null) { int sum = 0, tmp; for (tmp = 0;tmp < anz;tmp++) if (array[tmp]) sum++; if (sum != anz) { vp *help = new vp [sum]; anz = elements = nextfree = sum; sum = 0; for (tmp = 0;tmp < anz;tmp++) if (array[tmp]) help[sum++] = array[tmp]; delete array; array = help; } } qsort(array,anz,sizeof(vp),cmp); int source; int dest = 1; vp lastelem = array[0]; for (source = 1; source < anz; source++) { if (array[source] != lastelem){ array[dest++] = lastelem = array[source]; } } anz = dest; if (anz < elements) Shrink(anz); } } // ----------------------------------------------------------------------------- void DArray::Clear ( void ) // ----------------------------------------------------------------------------- { if (free) { int count = elements; while (count--) if (array[count]) delete array[count]; } delete array; array = NULL; } // ----------------------------------------------------------------------------- void DArray::Dump ( dumpfunc edump ) // ----------------------------------------------------------------------------- { int count = 0; cout << "\nelements = " << elements; cout << "\nnextfree = " << nextfree; cout << "\nincrement = " << increment; cout << "\n\n"; while (edump && (count < elements)) edump(array[count++]); cout << "\n\n"; } ./arbsrc_9167/ALIV3/a3_darray.hxx0000644012664100000130000000525011440743001016347 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_DARRAY_HXX #define _A3_DARRAY_HXX // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- #define DARRAY_SIZE 10 #define DARRAY_INC 2 #define DARRAY_NONULL 0 #define DARRAY_NULL 1 #define DARRAY_NOFREE 0 #define DARRAY_FREE 1 // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- typedef void *vp; // Element eines DArray typedef void (*dumpfunc)(vp); // Ausgabefunktion fuer ein Element typedef int (*cmpfunc) (const void*, // Vergleichsfunktion fuer zwei Elemente const void*); class DArray // Dynamisches Array fuer beliebige Elemente { private: int elements, // Anzahl der Elemente nextfree, // Naechster freier Index increment, // Schrittweite fuer Vergroesserung null, // Sollen 0-Elemente beruecksichtigt werden free; // Sollen Elemente explizit mit delete freigegeben werden vp *array; // Eigentliches Array void Init ( int num, int inc, int del ); void Grow ( void ); void Shrink ( int num ); public: DArray ( void ); DArray ( int num ); DArray ( int num, int inc, int del ); DArray ( DArray &other ); ~DArray ( void ); void Free ( int del ) { free = !!del; }; void Null ( int nul ) { null = !!nul; }; int Elements ( void ); int Add ( vp elem ); int Set ( vp elem, int index ); int Del ( int index ); vp operator [] ( int index ); DArray &operator = ( DArray &other ); void Sort ( cmpfunc cmp ); void Clear ( void ); void Dump ( dumpfunc edump ); }; // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_helix.cxx0000644012664100000130000002312211440743001016167 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include "a3_helix.hxx" #include "a3_ali.hxx" #include "a3_matrix.hxx" using std::cout; // ----------------------------------------------------------------------------- static str CleanHelix ( str hel ) // ----------------------------------------------------------------------------- { str heli = strdup(hel), ptr = heli; if (ptr) { int ch; while ((ch = *ptr) != 0) { if (ch == '<') *ptr = '['; if (ch == '>') *ptr = ']'; ptr++; } } return heli; } // ----------------------------------------------------------------------------- static int FindHelices ( str helix, int left, int right, A3Matrix &matrix ) // ----------------------------------------------------------------------------- { int error = 0, increment = 0, count = 0, last = -1, pos = 0; DArray mark(10,5,DARRAY_NOFREE); while (!error && (pos <= right)) { if (helix[pos] == '[') count++, increment = 1; else if ((helix[pos] == ']') && count) { if (increment > 0) { int back = pos - 1; while ((back >= left) && (helix[back] != '[')) back--; if (back < left) error = 2; else if (matrix.Set(pos - left,back - left,(vp)1) || matrix.Set(back - left,pos - left,(vp)1)) error = 3; { if (last < 0) last = mark.Add((vp)pos); else if ((back - (long)mark[last]) > 1) last = mark.Add((vp)pos); } } else if (increment < 0) { long back = (long)mark[last], backend = left, tmp = back; while (tmp--) if (matrix.Get(back - left,tmp - left)) break; back = tmp - 1; if (last > 0) backend = (long)mark[last - 1] + 1; while (back >= backend) { if (helix[back] == '[') { tmp = back + 1; while (tmp <= right) { if (matrix.Get(tmp - left,back - left)) break; else tmp++; } if (tmp > right) { if (matrix.Set(pos - left,back - left,(vp)1) || matrix.Set(back - left,pos - left,(vp)1)) error = 3; else { if (last >= 0) mark.Del(last--); if (last < 0) last = mark.Add((vp)pos); else if ((back - (long)mark[last]) > 1) last = mark.Add((vp)pos); break; } } } if (back == backend) { if (last >= 0) mark.Del(last--); if (last > 0) backend = (long)mark[last - 1] + 1; else backend = left; } back--; } } else error = 1; increment = -1; count--; } pos++; } return error; } // ----------------------------------------------------------------------------- int intcmp ( const void *a, const void *b ) // ----------------------------------------------------------------------------- { int res = 0, diff = *(int*)a - *(int*)b; if (diff < 0) res = -1; else if (diff > 0) res = 1; return res; } // ----------------------------------------------------------------------------- int hmatchcmp ( const void *a, const void *b ) // ----------------------------------------------------------------------------- { int res = 0, diff = (*(HMatch**)a)->first - (*(HMatch**)b)->first; if (diff < 0) res = -1; else if (diff > 0) res = 1; return res; } // ----------------------------------------------------------------------------- void hmatchdump ( vp val ) // ----------------------------------------------------------------------------- { HMatch *m = (HMatch*)val; if (m) cout << " " << m->first << ", " << m->last; } // ----------------------------------------------------------------------------- HMatch &A3Helix::GetPart ( int part ) // ----------------------------------------------------------------------------- { HMatch *area = NULL; int parts = Parts(); if ((part >= 0) && (part < parts)) { int anz = match.Elements(), beg = !!(((HMatch*)match[0])->first), end = (((HMatch*)match[anz - 1])->last == (length - 1)), pos = 0; area = new HMatch; parts = 0; while (pos <= anz) { if (!pos) { area->first = 0; if (beg) area->last = ((HMatch*)match[pos])->last; else area->last = ((HMatch*)match[pos + 1])->last; } else if (pos == anz) { if (!beg) break; area->first = ((HMatch*)match[pos - 1])->first; area->last = length - 1; } else if (pos == (anz - 1)) { if (beg) { area->first = ((HMatch*)match[pos - 1])->first; area->last = ((HMatch*)match[pos])->last; } if (end) break; if (!beg) { area->first = ((HMatch*)match[pos])->first; area->last = length - 1; } } else { if (beg) { area->first = ((HMatch*)match[pos - 1])->first; area->last = ((HMatch*)match[pos])->last; } else { area->first = ((HMatch*)match[pos])->first; area->last = ((HMatch*)match[pos + 1])->last; } } if (parts == part) break; parts++; pos++; } } return *area; } // ----------------------------------------------------------------------------- A3Helix::A3Helix ( void ) : match() // ----------------------------------------------------------------------------- { helix = consensus = NULL; length = 0; match.Free(DARRAY_NOFREE); match.Null(DARRAY_NONULL); match.Sort(intcmp); } // ----------------------------------------------------------------------------- A3Helix::A3Helix ( str hel, str kon, DArray &mat ) : match(mat) // ----------------------------------------------------------------------------- { helix = CleanHelix(hel); consensus = strdup(kon); length = strlen(helix); } // ----------------------------------------------------------------------------- A3Helix::~A3Helix ( void ) // ----------------------------------------------------------------------------- { if (helix) delete helix; if (consensus) delete consensus; } // ----------------------------------------------------------------------------- void A3Helix::Set ( DArray &mat ) // ----------------------------------------------------------------------------- { match = mat; } // ----------------------------------------------------------------------------- int A3Helix::Parts ( void ) // ----------------------------------------------------------------------------- { int anz = match.Elements(), parts = anz; if (parts) { parts++; if (!((HMatch*)match[0])->first) parts--; if (((HMatch*)match[anz - 1])->last == (length - 1)) parts--; } return parts; } // ----------------------------------------------------------------------------- DArray &A3Helix::Helices ( int part, int minlen ) // ----------------------------------------------------------------------------- { DArray *helices = new DArray; HMatch &area = GetPart(part); int len = area.last - area.first + 1; A3Matrix mat(len,DARRAY_NOFREE); if (!FindHelices(helix,area.first,area.last,mat)) mat.Dump(NULL); delete &area; return *helices; } // ----------------------------------------------------------------------------- void A3Helix::Dump ( int all ) // ----------------------------------------------------------------------------- { if (all) { cout << "\nhelix = " << helix; // cout << "\n\nkonsensus = " << konsensus; cout << "\n\nlength = " << length; cout << "\n"; } match.Dump(hmatchdump); } ./arbsrc_9167/ALIV3/a3_helix.hxx0000644012664100000130000000515211440743001016177 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_HELIX_HXX #define _A3_HELIX_HXX // ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include "a3_types.h" #include "a3_darray.hxx" // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- struct HMatch // Ubereinstimmender Bereich von Sequenz und Helixstruktur { int first, // Erste Position des Bereichs last; // Letzte Position des Bereichs HMatch ( void ) { first = last = 0; }; }; struct HelixS // Helixbereich { int open, // Position der ersten oeffnenden Klammer close, // Position der ersten schliessenden Klammer length; // Laenge der Helix HelixS ( void ) { open = close = length = 0; }; HelixS ( int o, int c, int l ) { open = o; close = c; length = l; }; }; class A3Helix { private: str helix, // Helix(klammer)struktur consensus; // Haeufigste Familiensequenz int length; // Laenge von helix und consensus DArray match; // Array of HMatch*, sortiert nach first HMatch &GetPart ( int part ); public: A3Helix ( void ); A3Helix ( str hel, str kon, DArray &mat ); ~A3Helix ( void ); void Set ( DArray &mat ); int Parts ( void ); // Anzahl der unalignten Bereiche DArray &Helices ( int part, int minlen ); // Liefert DArray of HelixS* void Dump ( int all ); }; // ----------------------------------------------------------------------------- // Funktionen // ----------------------------------------------------------------------------- extern int intcmp ( const void *a, const void *b); extern int hmatchcmp ( const void *a, const void *b); extern void hmatchdump ( vp val ); // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_matrix.cxx0000644012664100000130000000750211440743001016366 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include "a3_matrix.hxx" using std::cout; // ----------------------------------------------------------------------------- void A3Matrix::Init ( int xlen, int ylen, int del ) // ----------------------------------------------------------------------------- { width = xlen; height = ylen; free = !!del; matrix = new vp [width * height]; memset(matrix,0,width * height * sizeof(vp)); } // ----------------------------------------------------------------------------- A3Matrix::A3Matrix ( int len, int del ) // ----------------------------------------------------------------------------- { Init(len,len,del); } // ----------------------------------------------------------------------------- A3Matrix::A3Matrix ( int xlen, int ylen, int del ) // ----------------------------------------------------------------------------- { Init(xlen,ylen,del); } // ----------------------------------------------------------------------------- A3Matrix::A3Matrix ( A3Matrix &other ) // ----------------------------------------------------------------------------- { Init(other.width,other.height,other.free); memcpy(matrix,other.matrix,width * height * sizeof(vp)); } // ----------------------------------------------------------------------------- A3Matrix::~A3Matrix ( void ) // ----------------------------------------------------------------------------- { if (free) Clear(); delete matrix; } // ----------------------------------------------------------------------------- int A3Matrix::Set ( int xpos, int ypos, vp val ) // ----------------------------------------------------------------------------- { int error = 0; if ((xpos < 0) || (xpos >= width) || (ypos < 0) || (ypos >= height)) error = 1; else { int p = ypos * width + xpos; if (free && matrix[p]) delete matrix[p]; matrix[p] = val; } return error; } // ----------------------------------------------------------------------------- vp A3Matrix::Get ( int xpos, int ypos ) // ----------------------------------------------------------------------------- { vp val = NULL; if ((xpos >= 0) && (xpos < width) && (ypos >= 0) && (ypos < height)) { int p = ypos * width + xpos; val = matrix[p]; } return val; } // ----------------------------------------------------------------------------- void A3Matrix::Clear ( void ) // ----------------------------------------------------------------------------- { int y = height; while (y--) { int x = width, l = y * width; while (x--) { int p = l + x; if (free && matrix[p]) delete matrix[p]; matrix[p] = NULL; } } } // ----------------------------------------------------------------------------- void A3Matrix::Dump ( dumpfunc edump ) // ----------------------------------------------------------------------------- { int y = 0; while (y < height) { int x = 0, l = y * width; while (x < width) { int p = l + x; if (edump) edump(matrix[p]); else cout << " " << (long)matrix[p]; x++; } cout << "\n"; y++; } } ./arbsrc_9167/ALIV3/a3_matrix.hxx0000644012664100000130000000344311440743001016373 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_MATRIX_HXX #define _A3_MATRIX_HXX // ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include "a3_darray.hxx" // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- class A3Matrix // Matrix fuer beliebige Elemente { private: int width, // Spalten der Matrix height, // Zeilen der Matrix free; // Sollen Elemente explizit mit delete freigegeben werden vp *matrix; // Eigentliche Matrix void Init ( int xlen, int ylen, int del ); public: A3Matrix ( int len, int del ); A3Matrix ( int xlen, int ylen, int del ); A3Matrix ( A3Matrix &other ); ~A3Matrix ( void ); int Set ( int xpos, int ypos, vp val ); vp Get ( int xpos, int ypos ); void Clear ( void ); void Dump ( dumpfunc edump ); }; // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_ptree1.cxx0000644012664100000130000003173311440743001016265 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include "a3_basen.h" #include "a3_ptree.hxx" #include using std::cout; using std::hex; using std::dec; // ----------------------------------------------------------------------------- static void CountAppearances ( str seq, int *pos, int num, int off, int *anz ) // ----------------------------------------------------------------------------- { if (!num) { int base; while ((base = *seq++) != 0) { int index = BIndex[base]; if ((index >= 0) && (index < BASENPUR)) anz[index]++; } } else { while (num--) { int base = seq[pos[num] + off]; if (base == 0) anz[BASEN] = 1; else anz[BIndex[base]]++; } } } // ----------------------------------------------------------------------------- static void FindAppearances ( int *list, int base, int anz, str seq, int *pos, int num, int off ) // ----------------------------------------------------------------------------- { int next = 0, count = 0; if (!num) { num = strlen(seq); while ((count < num) && (next < anz)) { if (BIndex[safeCharIndex(seq[count])] == base) list[next++] = count; count++; } } else while ((count < num) && (next < anz)) { if (base == BASEN) { if (!seq[pos[count]+ off]) list[next++] = pos[count]; } else { if (BIndex[safeCharIndex(seq[pos[count]+ off])] == base) list[next++] = pos[count]; } count++; } } // ----------------------------------------------------------------------------- // Konstruktor zum Erstellen eines Positionsbaumes aus einer Sequenz // ----------------------------------------------------------------------------- PtNode::PtNode ( str seq, int *pos, int num, int rec ) // ----------------------------------------------------------------------------- { if (!seq) mask = (Mask)0, position = NULL, next = NULL; else { int anz[BASEN + 1], base; mask = (Mask)0; position = NULL; next = NULL; memset(anz,0,(BASEN + 1) * sizeof(int)); CountAppearances(seq,pos,num,rec,anz); if (anz[ADENIN] > 0) { if (anz[ADENIN] > 1) mask = (Mask)(mask | N_ADENIN); else mask = (Mask)(mask | P_ADENIN); } if (anz[CYTOSIN] > 0) { if (anz[CYTOSIN] > 1) mask = (Mask)(mask | N_CYTOSIN); else mask = (Mask)(mask | P_CYTOSIN); } if (anz[GUANIN] > 0) { if (anz[GUANIN] > 1) mask = (Mask)(mask | N_GUANIN); else mask = (Mask)(mask | P_GUANIN); } if (anz[URACIL] > 0) { if (anz[URACIL] > 1) mask = (Mask)(mask | N_URACIL); else mask = (Mask)(mask | P_URACIL); } if (anz[ONE] > 0) { if (anz[ONE] > 1) mask = (Mask)(mask | N_ONE); else mask = (Mask)(mask | P_ONE); } if (anz[ANY] > 0) { if (anz[ANY] > 1) mask = (Mask)(mask | N_ANY); else mask = (Mask)(mask | P_ANY); } if (anz[BASEN]) mask = (Mask)(mask | P_FINISH); { int panz = NumOfPos(), nanz = NumOfNext(); if (panz) position = new int [panz]; if (nanz) next = new PtNode* [nanz]; } for (base = 0;base < (BASEN + 1);base++) { switch (anz[base]) { case 0: break; case 1: { int list, which = base; Mask tmp = P_ADENIN; while (which--) tmp = (Mask)(tmp * 2); FindAppearances(&list,base,1,seq,pos,num,rec); position[IndexOfPos(tmp)] = list; break; } default: { int *list = new int [anz[base]], which = base, index; Mask tmp = N_ADENIN; PtNode *ptn; while (which--) tmp = (Mask)( tmp * 2); FindAppearances(list,base,anz[base],seq,pos,num,rec); index = IndexOfNext(tmp); ptn = new PtNode(seq,list,anz[base],rec + 1); next[index] = ptn; delete list; break; } } } } } // ----------------------------------------------------------------------------- // Kopierkonstruktor // ----------------------------------------------------------------------------- PtNode::PtNode ( PtNode &node ) // ----------------------------------------------------------------------------- { cout << "\nKopierkonstruktor(PtNode)\n"; mask = node.mask; if (position) { int anz = node.NumOfPos(); position = new int [anz]; memcpy(position,node.position,anz * sizeof(int)); } if (next) { int anz = node.NumOfNext(); next = new PtNode* [anz]; while (anz--) if (node.next[anz]) next[anz] = new PtNode(*node.next[anz]); else next[anz] = NULL; } } // ----------------------------------------------------------------------------- // Destruktor // ----------------------------------------------------------------------------- PtNode::~PtNode ( void ) // ----------------------------------------------------------------------------- { if (position) delete position; if (next) { int anz = NumOfNext(); while (anz--) if (next[anz]) delete next[anz]; delete next; } } // ----------------------------------------------------------------------------- // Anzahl der vorhandenen Positionen // ----------------------------------------------------------------------------- int PtNode::NumOfPos ( void ) // ----------------------------------------------------------------------------- { int anz = 0, test = P_ADENIN; while (test <= P_FINISH) { if (mask & test) anz++; test *= 2; } return anz; } // ----------------------------------------------------------------------------- // Positionsindex einer Base // ----------------------------------------------------------------------------- int PtNode::IndexOfPos ( Mask base ) // ----------------------------------------------------------------------------- { int index = INVALID; if ((base <= P_FINISH) && (mask & base)) { int test = P_ADENIN; index = 0; while (test <= base) { if (mask & test) index++; test *= 2; } index--; } return index; } // ----------------------------------------------------------------------------- // Anzahl der vorhandenen Verzweigungen // ----------------------------------------------------------------------------- int PtNode::NumOfNext ( void ) // ----------------------------------------------------------------------------- { int anz = 0, test = N_ADENIN; while (test < (N_ANY * 2)) { if (mask & test) anz++; test *= 2; } return anz; } // ----------------------------------------------------------------------------- // Verzweigungsindex einer Base // ----------------------------------------------------------------------------- int PtNode::IndexOfNext ( Mask base ) // ----------------------------------------------------------------------------- { int index = INVALID; if ((base >= N_ADENIN) && (base <= N_ANY) && (mask & base)) { int test = N_ADENIN; index = 0; while (test <= base) { if (mask & test) index++; test *= 2; } index--; } return index; } // ----------------------------------------------------------------------------- // Ausgabefunktion fuer ein Knoten eines Positionsbaumes // ----------------------------------------------------------------------------- void PtNode::Dump ( void ) // ----------------------------------------------------------------------------- { cout << "\nnode: " << this; cout << "\nmask = 0x" << hex << mask << "\n"; if (position) { int anz = NumOfPos(), pos = 0; cout << "position[" << dec << anz << "] ="; while (pos < anz) cout << " " << position[pos++]; cout << "\n"; } if (next) { int anz = NumOfNext(), pos = 0; cout << "next[" << dec << anz << "]:"; while (pos < anz) cout << " " << next[pos++]; cout << "\n"; pos = 0; while (pos < anz) next[pos++]->Dump(); } } // ----------------------------------------------------------------------------- // Ausgabefunktion fuer einen Positionsbaum // ----------------------------------------------------------------------------- void PtNode::Show ( int rec, int *where ) // ----------------------------------------------------------------------------- { int panz = NumOfPos(), nanz = NumOfNext(); str prefix = new char [rec * 3]; prefix[0] = 0; if (rec) { int count = 0; prefix[0] = 0; while (count < rec) if (where[count++]) strcat(prefix,"| "); else strcat(prefix," "); } if (panz) { Base base = ADENIN; Mask which = P_ADENIN; while (which <= P_FINISH) { int index = IndexOfPos(which); if ((index != INVALID) && (index < panz)) { if (base == BASEN) { if (!nanz && (index == (panz - 1))) cout << prefix << "\\- # " << position[index] << "\n"; else cout << prefix << "|- # " << position[index] << "\n"; } else { if (!nanz && (index == (panz - 1))) cout << prefix << "\\- " << (char)BCharacter[base], cout << " " << position[index] << "\n"; else cout << prefix << "|- " << (char)BCharacter[base], cout << " " << position[index] << "\n"; } } which = (Mask)(which * 2); base = (Base)(base + 1); } } if (nanz) { Base base = ADENIN; Mask which = N_ADENIN; int *wherenew = new int [rec + 1]; memcpy(wherenew,where,rec * sizeof(int)); while (which <= N_ANY) { int index = IndexOfNext(which); if ((index != INVALID) && (index < nanz)) { if (base == BASEN) { if (index == (nanz - 1)) cout << prefix << "\\- #\n", wherenew[rec] = 0; else cout << prefix << "|- #\n", wherenew[rec] = 1; } else { if (index == (nanz - 1)) cout << prefix << "\\- " << (char)BCharacter[base] << "\n", wherenew[rec] = 0; else cout << prefix << "|- " << (char)BCharacter[base] << "\n", wherenew[rec] = 1; } next[index]->Show(rec + 1,wherenew); } which = (Mask)(which * 2); base = (Base)(base + 1); } delete wherenew; } delete prefix; } ./arbsrc_9167/ALIV3/a3_ptree2.cxx0000644012664100000130000004573111440743001016271 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include "a3_basen.h" #include "a3_ptree.hxx" #include using std::cout; // ----------------------------------------------------------------------------- static int int_compare ( const void *a, const void *b ) // ----------------------------------------------------------------------------- { int result = 0, diff = *(int*)a - *(int*)b; if (diff < 0) result = -1; else if (diff > 0) result = 1; return result; } // ----------------------------------------------------------------------------- static void SortIntArray ( int *array, int *anz ) // ----------------------------------------------------------------------------- { qsort(array,*anz,sizeof(int),int_compare); int source; int dest = 1; int lastelem = array[0]; for (source = 1; source < *anz; source++) { if (array[source] != lastelem){ array[dest++] = lastelem = array[source]; } } *anz = dest; } // ----------------------------------------------------------------------------- // Liefert die Anzahl aller Positionen unterhalb eines bestimmten Knotens // ----------------------------------------------------------------------------- static int CountLeaves ( PtNode &node ) // ----------------------------------------------------------------------------- { int panz = node.NumOfPos(), nanz = node.NumOfNext(); while (nanz--) panz += CountLeaves(*node.next[nanz]); return panz; } // ----------------------------------------------------------------------------- // Sucht alle Positionen unterhalb eines bestimmten Knotens // ----------------------------------------------------------------------------- static int GetLeaves ( PtNode &node, int *field ) // ----------------------------------------------------------------------------- { int panz = node.NumOfPos(), nanz = node.NumOfNext(), count = 0; while (count < panz) { field[count] = node.position[count]; count++; } while (nanz--) panz += GetLeaves(*node.next[nanz],&field[panz]); return panz; } // ----------------------------------------------------------------------------- // Sucht alle Positionen unterhalb eines bestimmten Knotens // ----------------------------------------------------------------------------- static int *FindLeaves ( PtNode &node, int *anz ) // ----------------------------------------------------------------------------- { int *field = NULL; if (((*anz = CountLeaves(node)) > 0) && ((field = new int [*anz]) != NULL)) GetLeaves(node,field); return field; } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer leeren Instanz der Klasse Postree // ----------------------------------------------------------------------------- Postree::Postree ( void ) : sequence () // ----------------------------------------------------------------------------- { topnode = NULL; } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer Instanz der // Klasse Postree aus einer vorgegebenen Sequenz // ----------------------------------------------------------------------------- Postree::Postree ( str seq2 ) : sequence ( seq2 ) // ----------------------------------------------------------------------------- { str seq = sequence.Compressed(); if (seq) topnode = new PtNode(seq,NULL,0,0), delete seq; } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer Instanz der Klasse Postree aus einer // zufaellig besetzten Instanz der Klasse Sequenz mit vorgebener Sequenzlaenge // ----------------------------------------------------------------------------- Postree::Postree ( UINT len ) : sequence ( len ) // ----------------------------------------------------------------------------- { str seq = sequence.Compressed(); if (seq) topnode = new PtNode(seq,NULL,0,0), delete seq; } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer leeren Instanz der Klasse Postree // aus einer Instanz der Klasse Sequenz aus ein vorgebener Datei mit // vorgegebener Zeilennummer // ----------------------------------------------------------------------------- Postree::Postree ( str file, UINT line ) : sequence ( file, line ) // ----------------------------------------------------------------------------- { str seq = sequence.Compressed(); if (seq) topnode = new PtNode(seq,NULL,0,0), delete seq; } // ----------------------------------------------------------------------------- // Kopierkonstruktor // ----------------------------------------------------------------------------- Postree::Postree ( Postree &postree ) : sequence ( postree.sequence ) // ----------------------------------------------------------------------------- { cout << "\nKopierkonstruktor(Postree)\n"; if (!postree.topnode) topnode = NULL; else topnode = new PtNode(*postree.topnode); } // ----------------------------------------------------------------------------- // Destruktor // ----------------------------------------------------------------------------- Postree::~Postree ( void ) // ----------------------------------------------------------------------------- { if (topnode) delete topnode; } // ----------------------------------------------------------------------------- // Liefert Laenge der kompremierten Sequenz // ----------------------------------------------------------------------------- int Postree::SeqLen ( void ) // ----------------------------------------------------------------------------- { return sequence.CompressedLen(); } // ----------------------------------------------------------------------------- // Positionsbaum fuer neue Sequenz aufbauen // ----------------------------------------------------------------------------- void Postree::Set ( str seq ) // ----------------------------------------------------------------------------- { if (seq && *seq) { str tmp; sequence.Set(seq); if (topnode) delete topnode, topnode = NULL; tmp = sequence.Compressed(); if (tmp) topnode = new PtNode(tmp,NULL,0,0), delete tmp; } } // ----------------------------------------------------------------------------- // Exakte Suche nach den Vorkommen einer Teilsequenz // ----------------------------------------------------------------------------- int Postree::Find ( str seq, int **pos, int *anz, int *len, int sort ) // ----------------------------------------------------------------------------- { int result = INVALID; *pos = NULL; *anz = 0; *len = 0; if (seq && *seq && pos && anz && len) { PtNode *node = topnode; result = 0; while (!result && *seq) { int base = BIndex[safeCharIndex(*seq++)]; if ((base < ADENIN) || (base > URACIL)) result = INVALID; else { Mask pmask = P_ADENIN, nmask = N_ADENIN; while (base--) { pmask = (Mask)(pmask * 2); nmask = (Mask)(nmask * 2); } if (node->mask & pmask) // Position gefunden { (*len)++; *anz = 1; *pos = new int [1]; if (!*pos) result = INVALID; // Speicher else { *pos[0] = node->position[node->IndexOfPos(pmask)]; if (*seq) // Gesuchte Sequenz ist laenger als Baum tief { str org = sequence.Compressed(); if (!org) result = INVALID; // Speicher else { str ptr = &org[*pos[0] + *len]; while (*ptr && *seq && (*seq == *ptr)) { (*len)++; seq++; ptr++; } if (*seq && *ptr) result = 1; // Unterschied delete org; } } } } else if (node->mask & nmask) // Verzweigung existiert { (*len)++; node = node->next[node->IndexOfNext(nmask)]; } else // Unterschied => alle Moeglichkeiten suchen { result = 1; *pos = FindLeaves(*node,anz); } } } if (!result && !*seq && !*pos) // Sequenz ist kuerzer als Baum tief { *pos = FindLeaves(*node,anz); if (!*pos) result = INVALID; // Speicher } } if (sort && *pos && (*anz > 1)) SortIntArray(*pos,anz); return result; } // ----------------------------------------------------------------------------- // Suche nach den Vorkommen einer Teilsequenz mit bis zu einer Substitution // ----------------------------------------------------------------------------- int Postree::OneSubstitution ( str seq, int **pos, int *anz, int *len ) // ----------------------------------------------------------------------------- { int result = INVALID, seqlen = strlen(seq), *lpos = NULL, lanz = 0, llen = 0, res, count; str search = new char [seqlen + 1]; for (count = 0;count < seqlen;count++) { int base; strcpy(search,seq); for (base = ADENIN;base <= URACIL;base++) { if (search[count] == BCharacter[base]) continue; search[count] = BCharacter[base]; res = Find(search,&lpos,&lanz,&llen,0); if (res >= 0) { if (llen > *len) { if (*pos) delete *pos; *pos = lpos; *len = llen; *anz = lanz; result = res; } else if (llen == *len) { int *tmp = new int [*anz + lanz]; if (*anz) memcpy(tmp,*pos,*anz * sizeof(int)); memcpy(&tmp[*anz],lpos,lanz * sizeof(int)); if (*pos) delete *pos; *pos = tmp; *anz += lanz; result = res; } } search[count] = seq[count]; } } delete search; return result; } // ----------------------------------------------------------------------------- // Suche nach den Vorkommen einer Teilsequenz mit bis zu einer Deletion // ----------------------------------------------------------------------------- int Postree::OneDeletion ( str seq, int **pos, int *anz, int *len ) // ----------------------------------------------------------------------------- { int result = INVALID, seqlen = strlen(seq), *lpos = NULL, lanz = 0, llen = 0, res, count; str search = new char [seqlen + 1]; for (count = 0;count < seqlen;count++) { if (!count) *search = 0; else strncpy(search,seq,count), search[count] = 0; strcat(search,&seq[count + 1]); res = Find(search,&lpos,&lanz,&llen,0); if (res >= 0) { if (llen > *len) { if (*pos) delete *pos; *pos = lpos; *len = llen; *anz = lanz; result = res; } else if (llen == *len) { int *tmp = new int [*anz + lanz]; if (*anz) memcpy(tmp,*pos,*anz * sizeof(int)); memcpy(&tmp[*anz],lpos,lanz * sizeof(int)); if (*pos) delete *pos; *pos = tmp; *anz += lanz; result = res; } } } delete search; return result; } // ----------------------------------------------------------------------------- // Suche nach den Vorkommen einer Teilsequenz mit bis zu einer Insertion // ----------------------------------------------------------------------------- int Postree::OneInsertion ( str seq, int **pos, int *anz, int *len ) // ----------------------------------------------------------------------------- { int result = INVALID, seqlen = strlen(seq), *lpos = NULL, lanz = 0, llen = 0, res, count; str search = new char [seqlen + 2]; for (count = 0;count <= seqlen;count++) { int base; if (!count) search[0] = ' ', search[1] = 0; else strncpy(search,seq,count), search[count] = ' ', search[count + 1] = 0; strcat(search,&seq[count]); for (base = ADENIN;base <= URACIL;base++) { search[count] = BCharacter[base]; res = Find(search,&lpos,&lanz,&llen,0); if (res >= 0) { if (llen > *len) { if (*pos) delete *pos; *pos = lpos; *len = llen; *anz = lanz; result = res; } else if (llen == *len) { int *tmp = new int [*anz + lanz]; if (*anz) memcpy(tmp,*pos,*anz * sizeof(int)); memcpy(&tmp[*anz],lpos,lanz * sizeof(int)); if (*pos) delete *pos; *pos = tmp; *anz += lanz; result = res; } } search[count] = seq[count]; } } delete search; return result; } // ----------------------------------------------------------------------------- // Suche nach den Vorkommen einer Teilsequenz mit bis zu einem Fehler // ----------------------------------------------------------------------------- int Postree::OneMismatch ( str seq, int **pos, int *anz, int *len ) // ----------------------------------------------------------------------------- { int result = Find(seq,pos,anz,len,0); if (result >= 0) { int *lpos[3] = { NULL, NULL, NULL }, lanz[3] = { 0, 0, 0 }, llen[3], res [3] = { INVALID, INVALID, INVALID }, count; llen[0] = llen[2] = *len; llen[1] = 0; res[0] = OneSubstitution(seq,&lpos[0],&lanz[0],&llen[0]); res[1] = OneDeletion (seq,&lpos[1],&lanz[1],&llen[1]); res[2] = OneInsertion (seq,&lpos[2],&lanz[2],&llen[2]); for (count = 0; count < 3;count++) { if (res[count] >= 0) { result = 1; if (llen[count] > *len) { if (*pos) delete *pos; *pos = lpos[count]; *len = llen[count]; *anz = lanz[count]; result = res [count]; lpos[count] = NULL; } else if (llen[count] == *len) { int *tmp = new int [*anz + lanz[count]]; if (*anz) memcpy(tmp,*pos,*anz * sizeof(int)); memcpy(&tmp[*anz],lpos[count],lanz[count] * sizeof(int)); if (*pos) delete *pos; *pos = tmp; *anz += lanz[count]; } } if (lpos[count]) delete lpos[count]; } if (*pos && (*anz > 1)) SortIntArray(*pos,anz); } return result; } // ----------------------------------------------------------------------------- // Ausgabefunktion fur eine Instanz der Klasse Postree zu debug-Zwecken // ----------------------------------------------------------------------------- void Postree::Dump ( void ) // ----------------------------------------------------------------------------- { cout << "\nsequence :\n"; sequence.Dump(); cout << "topnode :\n"; if (topnode) topnode->Dump(), cout << "\n"; } // ----------------------------------------------------------------------------- // Ausgabefunktion fur eine Instanz der Klasse Postree // ----------------------------------------------------------------------------- void Postree::Show ( int mode ) // ----------------------------------------------------------------------------- { switch (mode) { case 0: cout << "\npostree:\n\n"; if (topnode) topnode->Show(0,NULL), cout << "\n"; break; case 1: { str seq = sequence.Compressed(); cout << "\nsequence:\n\n"; if (seq) { cout << "Laenge: " << strlen(seq) << "\n"; cout << seq << "\n"; delete seq; } break; } case 2: cout << "\nsequence :\n"; sequence.Dump(); cout << "\npostree :\n\n"; if (topnode) topnode->Show(0,NULL), cout << "\n"; break; } } ./arbsrc_9167/ALIV3/a3_ptree.hxx0000644012664100000130000001341411440743001016205 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_PTREE_HXX #define _A3_PTREE_HXX // ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include "a3_seq.hxx" // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- typedef enum { P_ADENIN = 0x0001, P_CYTOSIN = 0x0002, P_GUANIN = 0x0004, P_URACIL = 0x0008, P_ONE = 0x0010, P_ANY = 0x0020, P_FINISH = 0x0040, N_ADENIN = 0x0080, N_CYTOSIN = 0x0100, N_GUANIN = 0x0200, N_URACIL = 0x0400, N_ONE = 0x0800, N_ANY = 0x1000 } Mask; struct PtNode // Struktur eines Baumknotens { Mask mask; // Maske fuer die Positionen und Verweise int *position; // Positionsfeld PtNode **next; // Verweise auf darueberliegende Knoten PtNode ( void ) // Konstruktor fuer leeren Knoten { mask = (Mask)0; position = NULL; next = NULL; }; PtNode ( str seq, // Konstruktor fur Baum aus Sequenz int *pos, // Basenpositionen int num, // Anzahl der Basenpositionen int rec ); // Rekursionsstufe PtNode ( PtNode &node ); // Kopierkonstruktor ~PtNode ( void ); // Destruktor int NumOfPos ( void ); // Anzahl der Positionen int IndexOfPos ( Mask base ); // Index einer Position int NumOfNext ( void ); // Anzahl der Verzweigungen int IndexOfNext ( Mask base ); // Index einer verzweigung void Dump ( void ); // Ausgabe des Baums elementeweise void Show ( int rec, // Ausgabe des Baums int *where ); }; class Postree // Klasse fuer einen Positionsbaum einer RNS-Sequenzen { private: Sequence sequence; // Die zugehoerige Sequenz PtNode *topnode; // Oberster Knoten des Positionsbaumes public: Postree ( void ); // Konstruktor fuer leeren Positionsbaum Postree ( str seq ); // Konstruktor fuer Positionsbaum // einer vorgegebenen Sequenz Postree ( UINT len ); // Konstruktor fuer Positionsbaum einer // Zufallssequenz mit vorgegebener Laenge Postree ( str file, // Konstruktor fuer Positionsbaum UINT line ); // einer Sequenz aus einer Datei // mit vorgegebener Zeilennummer Postree ( Postree &postree ); // Kopierkonstruktor ~Postree ( void ); // Destruktor int SeqLen ( void ); // Liefert Laenge der kompremierten Sequenz void Set ( str seq ); // Positionsbaum fuer neue Sequenz anlegen int Find ( str seq, // Sucht nach dem exakten Vorkommen einer int **pos, // Teilsequenz und liefert deren moegliche int *anz, // Positionen und Laenge zurueck int *len, int sort ); int OneMismatch ( str seq, // Sucht nach dem Vorkommen einer Teil- int **pos, // sequenz, wobei 1 Fehler toleriert wird int *anz, // und liefert deren moegliche Positionen int *len ); // und Laenge zurueck int OneSubstitution ( str seq, // Sucht nach dem Vorkommen einer Teil- int **pos, // sequenz, wobei 1 Substitituton toleriert int *anz, // wird und liefert deren moegliche Positionen int *len ); // und Laenge zurueck int OneDeletion ( str seq, // Sucht nach dem Vorkommen einer Teil- int **pos, // sequenz, wobei 1 Deletion toleriert int *anz, // wird und liefert deren moegliche Positionen int *len ); // und Laenge zurueck int OneInsertion ( str seq, // Sucht nach dem Vorkommen einer Teil- int **pos, // sequenz, wobei 1 Insertion toleriert int *anz, // wird und liefert deren moegliche Positionen int *len ); // und Laenge zurueck void Dump ( void ); // Gibt die Elemente eines Positionsbaum aus void Show ( int mode ); // Zeigt einen Positionsbaum an // 0 Baum, 1 Sequenz, 2 beides }; // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_seq.cxx0000644012664100000130000002555411440743001015661 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include #include #include #include "a3_basen.h" #include "a3_seq.hxx" #include using std::ifstream; using std::cout; // ----------------------------------------------------------------------------- // Erzeugen einer Zufallssequenz mit vorgebener Laenge // ----------------------------------------------------------------------------- static str RandomSequence ( UINT len ) // ----------------------------------------------------------------------------- { str seq = new char [len + 1]; if (seq) { UINT pos = 0; while (pos < len) { // Sequenz mit zufaellig ausgewaehlten Basen besetzen seq[pos++] = BCharacter[GB_random(BASEN)]; } seq[pos] = 0; } return seq; } // ----------------------------------------------------------------------------- // Liefert die Kopie einer Sequenz mit vorgegbener Laenge, aus der // alle ueberfluessigen und unzulaessigen Zeichen entfernt wurden. // ----------------------------------------------------------------------------- static str CompressSequence ( str sequence, UINT length ) // ----------------------------------------------------------------------------- { str compressed = NULL; if (sequence && length) { str tmp = new char [length + 1]; if (tmp) { str ptr = tmp; while (*sequence) // Zeichenweises Lesen der Sequenz { switch (BIndex[safeCharIndex(*sequence)]) // Bearbeitung ist abhaengig vom { // Typ des jeweiligen Zeichens case ADENIN: case CYTOSIN: case GUANIN: case URACIL: case ONE: // Zulaessige Zeichen werden uebrnommen { *ptr++ = *sequence; break; } case ANY: // Aufeinanderfolgende, nicht sequenzierte { // Bereiche werden zusammengefasst. if ((ptr == tmp) || // Nur ein ANY-Zeichen ((ptr > tmp) && (BIndex[safeCharIndex(*(ptr - 1))] != ANY))) *ptr++ = *sequence; while(*sequence && // Ueberspringen BIndex[safeCharIndex(*sequence)] == ANY) sequence++; sequence--; break; } case INSERT: break; // Insertionen werden uebersprungen case INVALID: default: // Ungueltige oder sonstige Zeichen werden { // als eine beliebige Base dargestellt *ptr++ = BCharacter[ONE]; break; } } sequence++; // Naechste Base der Sequenz } *ptr = 0; // Neue Sequnez mit 0 abschliessen compressed = strdup(tmp); // Kopie der neuen Sequenz delete tmp; } } return compressed; } // ----------------------------------------------------------------------------- // Einlesen einer Sequenz aus eine vorgegebene // Datei mit einer vorgegebene Zeilennummer // ----------------------------------------------------------------------------- static str ReadSequence ( str file, UINT line ) // ----------------------------------------------------------------------------- { str seq = NULL; if (file && *file) { ifstream input (file); if (input) { int error = 0; str tmp = NULL; while (!error && line) // Ueberlesen bis zur gewuenschten Zeile { if (tmp) delete tmp, tmp = NULL; // if (!input.gets(&tmp)) error = 1; line--; } if (error && tmp) { if (line) delete tmp, tmp = NULL; else if (!input.eof()) delete tmp, tmp = NULL; } if (((seq = tmp) != NULL) && // Sequenz zurueckgeben ((tmp = strchr(seq,'\n')) != NULL)) *tmp = 0; // Vorher LF entfernen } } return seq; } // ----------------------------------------------------------------------------- // Umwandeln der T-Zeichen einer Sequenz in U-Zeichen // ----------------------------------------------------------------------------- static void T2U ( str sequence ) // ----------------------------------------------------------------------------- { int base; while ((base = *sequence) != 0) // Zeichenweises Abarbeiten der Sequenz { if (BIndex[base] == URACIL) // Alle Vorkommen von URACIL durch *sequence = BCharacter[URACIL]; // dasselbe Zeichen ersetzen sequence++; } } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer leeren Instanz der Klasse Sequenz // ----------------------------------------------------------------------------- Sequence::Sequence ( void ) // ----------------------------------------------------------------------------- { original = NULL; origlen = 0; compressed = NULL; complen = 0; } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer Instanz der // Klasse Sequenz aus einer vorgegebenen Sequenz // ----------------------------------------------------------------------------- Sequence::Sequence ( str seq ) // ----------------------------------------------------------------------------- { original = NULL; origlen = 0; compressed = NULL; complen = 0; if (seq) original = strdup(seq); // Sequenz kopieren if (original) { origlen = strlen(original); T2U(original); // T- nach U-Zeichen umwandeln // Sequenz kompremieren if ((compressed = CompressSequence(original,origlen)) != NULL) complen = strlen(compressed); } } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer zufaellig besetzten // Instanz der Klasse Sequenz mit vorgebener Sequenzlaenge // ----------------------------------------------------------------------------- Sequence::Sequence ( UINT len ) // ----------------------------------------------------------------------------- { original = NULL; origlen = 0; compressed = NULL; complen = 0; if ((original = RandomSequence(len)) != NULL) // Zufaellige Sequenz erzeugen { origlen = len; // Sequenz kompremieren if ((compressed = CompressSequence(original,origlen)) != NULL) complen = strlen(compressed); } } // ----------------------------------------------------------------------------- // Konstruktor zum Erzeugen einer Instanz der Klasse Sequenz // aus einer vorgebener Datei mit vorgegebener Zeilennummer // ----------------------------------------------------------------------------- Sequence::Sequence ( str file, UINT line ) // ----------------------------------------------------------------------------- { original = NULL; origlen = 0; compressed = NULL; complen = 0; if ((original = ReadSequence(file,line)) != NULL) // Sequenz einlesen { origlen = strlen(original); T2U(original); // T- nach U-Zeichen umwandeln // Sequenz kompremieren if ((compressed = CompressSequence(original,origlen)) != NULL) complen = strlen(compressed); } } // ----------------------------------------------------------------------------- // Kopierkonstruktor der Klasse Sequenz // ----------------------------------------------------------------------------- Sequence::Sequence ( Sequence &sequence ) // ----------------------------------------------------------------------------- { if (sequence.original) original = strdup(sequence.original); origlen = sequence.origlen; if (sequence.compressed) compressed = strdup(sequence.compressed); complen = sequence.complen; } // ----------------------------------------------------------------------------- // Destruktor der Klasse Sequenz // ----------------------------------------------------------------------------- Sequence::~Sequence ( void ) // ----------------------------------------------------------------------------- { if (original) delete original; if (compressed) delete compressed; } // ----------------------------------------------------------------------------- // Ersetzen der alten Sequenz // ----------------------------------------------------------------------------- int Sequence::Set ( str seq ) // ----------------------------------------------------------------------------- { int error = 0; if (!seq) error = 1; // Ungueltige Sequenz else { str tmp = strdup(seq); // Kopieren der Sequenz if (!tmp) error = 2; // Kopieren ist schiefgelaufen else { if (original) delete original; // Altlasten freigeben if (compressed) delete compressed; original = tmp; // Sequenz neu besetzen origlen = strlen(original); T2U(original); // T- nach U-Zeichen umwandeln // Sequenz kompremieren if ((compressed = CompressSequence(original,origlen)) != NULL) complen = strlen(compressed); else complen = 0; } } return error; } // ----------------------------------------------------------------------------- // Ausgabefunktion fur eine Instanz der Klasse Sequenz zu debug-Zwecken // ----------------------------------------------------------------------------- void Sequence::Dump ( void ) // ----------------------------------------------------------------------------- { cout << "\noriginal = " << original; cout << "\noriglen = " << origlen; cout << "\ncompressed = " << compressed; cout << "\ncomplen = " << complen; cout << "\n\n"; } ./arbsrc_9167/ALIV3/a3_seq.hxx0000644012664100000130000000527111440743001015660 0ustar arb_buildcoders// ----------------------------------------------------------------------------- #ifndef _A3_SEQ_HXX #define _A3_SEQ_HXX // ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include "a3_types.h" // ----------------------------------------------------------------------------- // Datentypen // ----------------------------------------------------------------------------- class Sequence // Klasse fuer RNS-Sequenzen { private: str original; // Originale Sequenz UINT origlen; // Laenge der originalen Sequenz str compressed; // Kompremiert Sequenz UINT complen; // Laenge der kompremierten Sequenz public: Sequence ( void ); // Konstruktor fuer leere Sequenz Sequence ( str seq ); // Konstruktor mit vorgegebener Sequenz Sequence ( UINT len ); // Konstruktor fuer Zufallssequenz Sequence ( str file, // Konstruktor fuer Sequenz aus Datei UINT line ); Sequence ( Sequence &sequence ); // Kopierkonstruktor ~Sequence ( void ); // Destruktor str Original ( void ) { return strdup(original); }; // Liefert Kopie der // originalen Sequenz UINT OriginalLen ( void ) { return origlen; }; // Liefert Laenge der // originalen Sequenz str Compressed ( void ) { return strdup(compressed); }; // Liefert Kopie der // kompremierten Sequenz UINT CompressedLen ( void ) { return complen; }; // Liefert Laenge der // kompremierten Sequenz int Set ( str seq ); // Ueberschreibt die // Klassenelemente mit neuen, // aus seq generierten. void Dump ( void ); // Gibt die Sequenz aus }; // ----------------------------------------------------------------------------- #endif // ----------------------------------------------------------------------------- ./arbsrc_9167/ALIV3/a3_test_ptree.cxx0000644012664100000130000001045311440743001017237 0ustar arb_buildcoders// ----------------------------------------------------------------------------- // Include-Dateien // ----------------------------------------------------------------------------- #include #include #include "a3_ptree.hxx" // ----------------------------------------------------------------------------- static void Menu ( Postree &pt ) // ----------------------------------------------------------------------------- { int done = 0; while (!done) { int choice; cout << "\nMenue:\n"; cout << "\na - Sequenz anzeigen"; cout << "\nb - Positionsbaum anzeigen"; cout << "\nf - Teilsequenz suchen (exakt)"; cout << "\ns - Teilsequenz suchen (<= 1 Fehlposition)"; cout << "\ne/q - Programm beenden\n"; cout << "\nDeine Wahl? "; choice = cin.get(); switch (choice) { case 'a': pt.Show(1); break; case 'b': pt.Show(0); break; case 'f': { int seqlen = pt.SeqLen(), *pos = NULL, anz = 0, len = 0, res; str seq = new char [seqlen + 1]; cout << "\nSuchsequenz eingeben : "; cin >> seq; if ((res = pt.Find(seq,&pos,&anz,&len,1)) < 0) cout << "\nGrober Fehler!\n"; else { int count = 0; if (!res) { cout << "\nSuchsequenz " << seq << " der Laenge " << len; cout << " wurde an " << anz << " Position(en) gefunden:"; while (count < anz) cout << " " << pos[count++]; cout << "\n"; } else { cout << "\nSuchsequenz " << seq << " der Laenge "; cout << len << " wurde nicht gefunden!"; seq[len] = 0; cout << "\nDas laengste Prefix " << seq << " mit Laenge " << len; cout << " wurde an " << anz << " Position(en) gefunden:"; while (count < anz) cout << " " << pos[count++]; cout << "\n"; } } break; } case 's': { int seqlen = pt.SeqLen(), *pos = NULL, anz = 0, len = 0, res; str seq = new char [seqlen + 1]; cout << "\nSuchsequenz eingeben : "; cin >> seq; if ((res = pt.OneMismatch(seq,&pos,&anz,&len)) < 0) cout << "\nGrober Fehler!\n"; else { int count = 0; seq[len] = 0; cout << "\nSuchsequenz " << seq << " der Laenge " << len; cout << " wurde an " << anz << " Position(en) gefunden:"; while (count < anz) cout << " " << pos[count++]; cout << "\n"; } break; } case 'q': case 'e': done = 1; break; default: cout << "\nUnzulaessige Eingabe '" << choice << "'\n"; break; } choice = cin.get(); } } // ----------------------------------------------------------------------------- int main ( int argc, char *argv[] ) // ----------------------------------------------------------------------------- { int error = 0; if ((argc < 2) || (argc > 3)) cout << "\nUSAGE: aliv3 [ | [ ]]\n\n"; else { if (argc == 2) { Postree pt(atoi(argv[1])); Menu(pt); } else if (argc == 3) { Postree pt(argv[1],atoi(argv[2])); Menu(pt); } } return error; } ./arbsrc_9167/ALIV3/a3_types.h0000644012664100000130000000106711440743001015653 0ustar arb_buildcoders/* -------------------------------------------------------------------------- */ #ifndef _A3_TYPES_H #define _A3_TYPES_H /* ----------------------------------------------------------------------------- Datentypen ----------------------------------------------------------------------------- */ typedef char *str; typedef unsigned short ushort; typedef unsigned int UINT; /* -------------------------------------------------------------------------- */ #endif /* -------------------------------------------------------------------------- */ ./arbsrc_9167/ALIV3/Makefile0000644012664100000130000000544111440743001015413 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend CPP_OBJECTS = a3.o a3_seq.o a3_ptree1.o a3_ptree2.o a3_helix.o a3_darray.o a3_ali.o \ a3_matrix.o a3_arbdb.o a3_basen.o C_OBJECTS= OBJECTS = $(CPP_OBJECTS) $(C_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl a3.o: a3_ali.hxx a3.o: a3_arbdb.hxx a3.o: a3_darray.hxx a3.o: a3_helix.hxx a3.o: a3_ptree.hxx a3.o: a3_seq.hxx a3.o: a3_types.h a3.o: $(ARBHOME)/INCLUDE/ad_k_prot.h a3.o: $(ARBHOME)/INCLUDE/ad_prot.h a3.o: $(ARBHOME)/INCLUDE/ad_t_prot.h a3.o: $(ARBHOME)/INCLUDE/arb_assert.h a3.o: $(ARBHOME)/INCLUDE/arbdb.h a3.o: $(ARBHOME)/INCLUDE/arbdb_base.h a3.o: $(ARBHOME)/INCLUDE/arbdbt.h a3.o: $(ARBHOME)/INCLUDE/attributes.h a3.o: $(ARBHOME)/INCLUDE/BI_helix.hxx a3_ali.o: a3_ali.hxx a3_ali.o: a3_darray.hxx a3_ali.o: a3_helix.hxx a3_ali.o: a3_ptree.hxx a3_ali.o: a3_seq.hxx a3_ali.o: a3_types.h a3_arbdb.o: a3_arbdb.hxx a3_arbdb.o: $(ARBHOME)/INCLUDE/ad_k_prot.h a3_arbdb.o: $(ARBHOME)/INCLUDE/ad_prot.h a3_arbdb.o: $(ARBHOME)/INCLUDE/ad_t_prot.h a3_arbdb.o: $(ARBHOME)/INCLUDE/arb_assert.h a3_arbdb.o: $(ARBHOME)/INCLUDE/arbdb.h a3_arbdb.o: $(ARBHOME)/INCLUDE/arbdb_base.h a3_arbdb.o: $(ARBHOME)/INCLUDE/arbdbt.h a3_arbdb.o: $(ARBHOME)/INCLUDE/attributes.h a3_basen.o: a3_basen.h a3_darray.o: a3_darray.hxx a3_helix.o: a3_ali.hxx a3_helix.o: a3_darray.hxx a3_helix.o: a3_helix.hxx a3_helix.o: a3_matrix.hxx a3_helix.o: a3_ptree.hxx a3_helix.o: a3_seq.hxx a3_helix.o: a3_types.h a3_matrix.o: a3_darray.hxx a3_matrix.o: a3_matrix.hxx a3_ptree1.o: a3_basen.h a3_ptree1.o: a3_ptree.hxx a3_ptree1.o: a3_seq.hxx a3_ptree1.o: a3_types.h a3_ptree1.o: $(ARBHOME)/INCLUDE/inline.h a3_ptree2.o: a3_basen.h a3_ptree2.o: a3_ptree.hxx a3_ptree2.o: a3_seq.hxx a3_ptree2.o: a3_types.h a3_ptree2.o: $(ARBHOME)/INCLUDE/inline.h a3_seq.o: a3_basen.h a3_seq.o: a3_seq.hxx a3_seq.o: a3_types.h a3_seq.o: $(ARBHOME)/INCLUDE/ad_k_prot.h a3_seq.o: $(ARBHOME)/INCLUDE/ad_prot.h a3_seq.o: $(ARBHOME)/INCLUDE/arb_assert.h a3_seq.o: $(ARBHOME)/INCLUDE/arbdb.h a3_seq.o: $(ARBHOME)/INCLUDE/arbdb_base.h a3_seq.o: $(ARBHOME)/INCLUDE/attributes.h a3_seq.o: $(ARBHOME)/INCLUDE/inline.h ./arbsrc_9167/ALIV3/README0000644012664100000130000000014011213220015014613 0ustar arb_buildcoders[Diplomarbeit] Secondary structure based aligner written by Ralf Jost. [untested and unused] ./arbsrc_9167/arb_CHANGES.txt0000644012664100000130000002552012051173043015574 0ustar arb_buildcodersARB change log Fixes for arb_5.5: * arb_5.4 was broken (several external tools missing) Fixes for arb_5.4: * make it obvious when probe matches are truncated. Truncate all hits beyond 1 million (was 100000) * fixed realigner (better interaction with fields 'transl_table' and 'codon_start'; improved error handling) * fixed several compilation issues (OSX; recent distro releases) Fixes for arb_5.3: * bugfixes - fixed wrong absolute/ecoli position reported for some designed probes - decompression error handling (pt-server build issues) - fixed 'codon_start' generated with wrong type - fixed a buffer overflow in ACI - report failures to write to /tmp * changes - markSpecies.pl: mark by accession number partial/ambiguous matches * internal fixes - compilation fixes for OSX - some patches for debian version (removed refs to xview, textedit, removed molphy(protml)) - removed obsolete dependency from libXp Fixes for arb_5.2: * bugfixes - quicksave did silently do nothing (especially not save anything) if an error occurred - ARB_EDIT4: crashed when using config with MANY unknown species - ARB_SECEDIT: crashed when trying to paint strand w/o any base - ARB_NTREE/ARB_PARS: crashed when clicking on inner tree node w/o groupinfo * changes - ARB uses xdg-open to display web-pages * internal fixes - karmic koala (gcc 4.4.1) - installation script - arb build process uses xsltproc instead of sablotron Fixes for arb_5.1: * fixed a bug in 'Create species from consensus' (created sequence was corrupted) * fixed 2 bugs in optimize DB (alignment w/o data, missing transaction) * updated installation instructions, fixed install script, added OSX instruction (thx to Matt Cottrell) * fixed broken demo.arb Major changes for arb_5.00: - ARB 64bit version - new genome importer - search for next relatives improved (normal search and fast-aligner) * new parameters to precise search * improved speed * partial sequence reach normal scores - search&query * supports regular expressions and ACI * track hit information * result sorting - Nameservers with add.field have to be started with default value You need to correct parameter -f in lib/arb_tcp.dat (according to lib/arb_tcp_org.dat) - multiple PT-servers may be used in parallel - fixed multiprobe - type-conversion for DB fields - SILVA compatible import filters - Newick tree export: * optionally save in human-readable format (big) * closer to newick standard format (quoting style, comment, special chars in data) - Upgraded RAxML to 7.0.3 (many features now usable from ARB interface) - Fixed sequence quality calculation - Secondary structures for proteins (DSSP) - Distance matrix (arb_dist): mark by distance to selected - ARB core * many bugfixes and improvements to reliability * faster sorting (general speedup) * improved sequence compression (avoid worse trees, better ratio) * improved handling of temporary files (permission/removal) * prints backtraces in userland * regular expression are POSIX standard now - macro record/playback * fixed several bugs * you need to re-record your old macros! - GUI: * disabled auto-focus, you need to click now * auto-raise windows on access - Minor things: * Ubuntu: packet installation for ARB * Fixed novice/expert mode * Mark deep/degenerated branches * Increased NDS entries - up-to-date Mac port (thx to Matt Cottrell) Major changes in ARB 07.12.07org: - rewrote secondary structure editor - Sequence quality check - Nameserver may use one field additional to 'acc' (useful to keep multiple species with same acc) - tweaked base frequency filter generation - Normal export (not using readseq) improved: * supports filters and gap removal * optimized for big amount of data * reworked export filters - Display translation with different ORFs in EDIT4 - ARB exports in FIG 3.2 format (optionally in colors). Thanks to Elmar Pruesse. - added PHYML 2.4.5 (thanks to Stephane Guidon for the permission to distribute that great tool) - more compact display in EDIT4 - capable to use iso10646 fonts - supports various gcc versions (2.95.3 - 4.1.1) - fixed a bug in DB optimization (occurred when fields had bigger protection than current) - Bootstrap circles may be displayed as ellipses; upper size limit configurable; uses different color for size-limited circles; fixed xfig-export-bug - Allows Branchlength <-> Bootstrap value transfer (lossy!) - fixed several scaling bugs in "folded tree"-mode - improved import-filter error-messages - NDS-display of groups (e.g. in tree) is now handled by ACI-command 'taxonomy'. This gives several new possibilities: * export taxonomy via 'Export NDS list' * display taxonomy in Editor etc. * display of cascaded taxonomies * display taxonomy of tree_1 in tree_2 * allows to write taxonomy into database field of species * compare taxonomies of two trees * ... - ACI: * many new ACI commands * unified handling of binary ACI-operators * tracing of ACI actions for debugging purpose - ARB Neighbour joining: * bootstrap limit configurable * bugfix: when aborting bootstrap calculation, sometimes no tree was generated - EDIT4: * added unalign right (block-op) * added 'Save loaded properties' - GENE MAP: * multiple views possible at the same time * origin now at "12 o'clock" * implemented 'jump to gene' - tweaked file selection - Enhanced Search Depth for Probe Match --> max 20 MM - CLUSTALW: * separated menus for fast and slow alignment * most parameters accessible from inside ARB now - upgraded to PHYLIP 3.6 (adds PROML) - external programs may be called parallel (e.g. several treeing programs) - fixed bugs in protml and integration of protml - rewrote ASCII database import - arb_repair for databases of any size (script for database repair) - fixed bug in data compression - increased internal cache size (alignments up to 400.000bp possible w/o performance collapse) - ARBparsimony: increase hardcoded species limit (50.000 -> 250.000) - GDE menus cleanup - translation/re-alignment tweaked - unalign right (EDIT4) - visualization of SAIs in Probe Match Results - changed formatting of probe match results; increase # of allowed matches to 100.000; warn if results are truncated - PT server for genes - Probe design performance optimized - fixed NEXUS export format - exports group names into Newick format - import XML tree files - help for external tools now properly shown inside ARB Major changes in Beta 2003_08_22: - automatic formatting of alignments - SECEDIT may use EDIT4 colors - fixed bootstrapping (DNAPARS, PROTPARS, PROTML(experimental!)) - updated clustalw to version 1.83 - Restore window sizes for ALL windows (too small sizes are ignored) - new algorithm to add partial sequences to an existing tree - PROT-parsimony was completely redesigned and works now most similar to DNA/RNA-parsimony - Top area of ARB_NTREE may be reduced to maximize display area - All arb menus may be detached (click dashed line at top of menu) - visualization of SAIs (as background color behind Sequences) - ARB_EDIT4 may save/use alignment-specific and alignment-type-specific properties - PT-server occupies more memory => does less passes; more diagnostic output - small changes to status window (unhide behavior/time estimation) - menus and menu-hotkeys reorganized - colored buttons in color config windows - alignment concatenation (e.g. several different genes) - merging data of similar species (according selected database field) - keyboard commands for ARB_NTREE (mark/unmark/invert, collapse/expand) - expanded sellists - save/load fixed for multi probes - Binary SAIs are editable in ARB_EDIT4 - Information windows are detachable (allows to have multiple windows showing different items) - Scanning for hidden/unknown database fields improved and separated; possibility to remove unused fields. - new tabbed format in 'Export NDS' and 'Export matrix' (useful for star-calc/excel/etc.) - updated fastDNAml to 1.2.2 - added AxML (accelerated fastDNAml 1.2.2) - Field transfer definitions for exporting gene-species - File Selection: - recursive search available - The ARB_NTREE macro recording/execution has been fixed - Colorize species (see demo.arb) - Fixed missing-character-bug in Xfig, Print and Edit4-Info-Display - 'IslandHopper' -- a new integrated aligner (beta) - Many improvements and bugfixes to secondary structure editor: * highlighting of search (i.e for probes) like in EDIT4 * interactive constraint editing (stretch/compress) * probe info * editing secondary structure in XFIG now possible * visualization of SAIs - import reads Unix, DOS, and MAC linefeeds - NTREE/SAI/Etc/GnuPlot: calls gnuplot directly; more plotting features; basic help - tree and sequence export to XML ( DTDs are provided in ./lib/dtd ) (reloading of these XML files is planned for the future) - fixed problems with phylip-tree import/export (bootstrap values,comments,...) - search in all database fields possible ('[all fields]') - up to 10 quicksaves are kept - new ACI functions: upper, lower, caps, eval - variables for import filter programming - extract gene-species: creates acc; extraction to existing alignments - sequence of selected gene is mirrored in ARB_EDIT4/local_signature (=> selected gene can be highlighted in primary editor) - PCR primer-design for single genes - when selecting a gene, the corresponding gene-species is selected (if found) - save configuration for several windows (e.g. Search&Query, WWW, NDS, ...) - file selection box in import window - mark item with double click works in all search&query windows - User masks: create new; 'edit enable' and 'marked' toggles (like in info window) - Fixed command line help for all Arb-modules - Fixed problem parsing fonts (should fix display problems with default fonts) - Mark mode now works in list-view as well (ARB_NTREE) - Fixed appearance of 'tiny little boxes' (everywhere) - Redesign of ARB help: - a HTML version is in $ARBHOME/lib/help_html - a text version is in $ARBHOME/lib/help (like before, but now generated) Major changes in Beta 2001_11_07: - design probes to maximum length of 60 nucleotides - fastAligner1.03 bug fixed (chooses best match now in 'auto search' mode) - import default changed to foreign data format, ali name '16s' - printing of multi-page-trees works again - implemented user defineable masks to access database fields - fixed bugs in pt-server (lockup, unknown species just after building pt-server) - improved performance during pt-server-build - several programs coming along with ARB where updated (PHYLIP,...) - reads EMBL genom files - support for experiments (genom databases only) Major changes in Beta 2001_07_24: - basic support for genoms (Gene Map, reads Genebank files) - ported to libc6 ./arbsrc_9167/ARBDB2/Makefile0000644012664100000130000003111211440743000015462 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .depend include AD_MOBJECTS.h ACC_OBJECTS = $(GB_O) $(GB_T) $(GB_X) $(MAIN): $(ACC_OBJECTS) $(LINK_SHARED_LIB) $(@:.a=).$(SHARED_LIB_SUFFIX) $(ACC_OBJECTS) touch $@ .c.o: $(ACCLIB) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) clean: rm -f $(ACC_OBJECTS) *.a *.so DEPENDS = $(ACC_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ links: ln -s ../ARBDB/*.[ch] . # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ad_config.o: ad_config.h ad_config.o: ad_prot.h ad_config.o: ad_t_prot.h ad_config.o: arbdb.h ad_config.o: arbdbt.h ad_config.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_config.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_config.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_config.o: $(ARBHOME)/INCLUDE/attributes.h ad_core.o: ad_lpro.h ad_core.o: ad_prot.h ad_core.o: adlmacros.h ad_core.o: adlocal.h ad_core.o: adtune.h ad_core.o: arbdb.h ad_core.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_core.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_core.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_core.o: $(ARBHOME)/INCLUDE/attributes.h ad_load.o: ad_lpro.h ad_load.o: ad_prot.h ad_load.o: ad_t_lpro.h ad_load.o: ad_t_prot.h ad_load.o: adlmacros.h ad_load.o: adlocal.h ad_load.o: admap.h ad_load.o: adtune.h ad_load.o: arbdb.h ad_load.o: arbdbt.h ad_load.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_load.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_load.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_load.o: $(ARBHOME)/INCLUDE/attributes.h ad_save_load.o: ad_lpro.h ad_save_load.o: ad_prot.h ad_save_load.o: adlmacros.h ad_save_load.o: adlocal.h ad_save_load.o: admap.h ad_save_load.o: adtune.h ad_save_load.o: arbdb.h ad_save_load.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_save_load.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_save_load.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_save_load.o: $(ARBHOME)/INCLUDE/attributes.h adali.o: ad_lpro.h adali.o: ad_prot.h adali.o: ad_t_lpro.h adali.o: ad_t_prot.h adali.o: adGene.h adali.o: adlmacros.h adali.o: adlocal.h adali.o: adtune.h adali.o: arbdb.h adali.o: arbdbt.h adali.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adali.o: $(ARBHOME)/INCLUDE/arb_assert.h adali.o: $(ARBHOME)/INCLUDE/arbdb_base.h adali.o: $(ARBHOME)/INCLUDE/attributes.h adChangeKey.o: ad_prot.h adChangeKey.o: ad_t_prot.h adChangeKey.o: arbdb.h adChangeKey.o: arbdbt.h adChangeKey.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adChangeKey.o: $(ARBHOME)/INCLUDE/arb_assert.h adChangeKey.o: $(ARBHOME)/INCLUDE/arbdb_base.h adChangeKey.o: $(ARBHOME)/INCLUDE/attributes.h adcolumns.o: ad_lpro.h adcolumns.o: ad_prot.h adcolumns.o: ad_t_lpro.h adcolumns.o: ad_t_prot.h adcolumns.o: adGene.h adcolumns.o: adlmacros.h adcolumns.o: adlocal.h adcolumns.o: adtune.h adcolumns.o: arbdb.h adcolumns.o: arbdbt.h adcolumns.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adcolumns.o: $(ARBHOME)/INCLUDE/arb_assert.h adcolumns.o: $(ARBHOME)/INCLUDE/arbdb_base.h adcolumns.o: $(ARBHOME)/INCLUDE/attributes.h adcomm.o: ad_lpro.h adcomm.o: ad_prot.h adcomm.o: adlmacros.h adcomm.o: adlocal.h adcomm.o: adtune.h adcomm.o: arbdb.h adcomm.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adcomm.o: $(ARBHOME)/INCLUDE/arb_assert.h adcomm.o: $(ARBHOME)/INCLUDE/arbdb_base.h adcomm.o: $(ARBHOME)/INCLUDE/attributes.h adcompr.o: ad_lpro.h adcompr.o: ad_prot.h adcompr.o: ad_t_lpro.h adcompr.o: ad_t_prot.h adcompr.o: adlmacros.h adcompr.o: adlocal.h adcompr.o: adtune.h adcompr.o: arbdb.h adcompr.o: arbdbt.h adcompr.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adcompr.o: $(ARBHOME)/INCLUDE/arb_assert.h adcompr.o: $(ARBHOME)/INCLUDE/arbdb_base.h adcompr.o: $(ARBHOME)/INCLUDE/attributes.h adExperiment.o: ad_prot.h adExperiment.o: ad_t_prot.h adExperiment.o: arbdb.h adExperiment.o: arbdbt.h adExperiment.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adExperiment.o: $(ARBHOME)/INCLUDE/arb_assert.h adExperiment.o: $(ARBHOME)/INCLUDE/arbdb_base.h adExperiment.o: $(ARBHOME)/INCLUDE/attributes.h adGene.o: ad_prot.h adGene.o: ad_t_prot.h adGene.o: adGene.h adGene.o: arbdb.h adGene.o: arbdbt.h adGene.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adGene.o: $(ARBHOME)/INCLUDE/arb_assert.h adGene.o: $(ARBHOME)/INCLUDE/arbdb_base.h adGene.o: $(ARBHOME)/INCLUDE/attributes.h adhash.o: ad_lpro.h adhash.o: ad_prot.h adhash.o: adlmacros.h adhash.o: adlocal.h adhash.o: adtune.h adhash.o: arbdb.h adhash.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adhash.o: $(ARBHOME)/INCLUDE/arb_assert.h adhash.o: $(ARBHOME)/INCLUDE/arbdb_base.h 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arbdb.o: adtune.h arbdb.o: arbdb.h arbdb.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arbdb.o: $(ARBHOME)/INCLUDE/arb_assert.h arbdb.o: $(ARBHOME)/INCLUDE/arbdb_base.h arbdb.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/ARBDB/adali.c0000644012664100000130000010420711440743000015164 0ustar arb_buildcoders/* ============================================================ */ /* */ /* File : adali.c */ /* Purpose : alignment handling */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* http://www.arb-home.de/ */ /* */ /* ============================================================ */ #include #include #include #include #include /******************************************************************************************** check the database !!! ********************************************************************************************/ static long check_for_species_without_data(const char *species_name, long value, void *counterPtr) { if (value == 1) { long cnt = *((long*)counterPtr); if (cnt<40) { GB_warningf("Species '%s' has no data in any alignment", species_name); } *((long*)counterPtr) = cnt+1; } return value; // new hash value } #if defined(DEVEL_RALF) #warning GBT_check_data ignores given 'alignment_name' if we have a default alignment. seems wrong! #endif /* DEVEL_RALF */ GB_ERROR GBT_check_data(GBDATA *Main, const char *alignment_name) /* if alignment_name == 0 -> check all existing alignments * otherwise check only one alignment */ { GB_ERROR error = 0; GBDATA *gb_sd = GBT_find_or_create(Main,"species_data",7); GBDATA *gb_presets = GBT_find_or_create(Main,"presets",7); GB_HASH *species_name_hash = 0; GBT_find_or_create(Main,"extended_data",7); GBT_find_or_create(Main,"tree_data",7); if (alignment_name) { GBDATA *gb_ali_name = GB_find_string(gb_presets, "alignment_name", alignment_name, GB_IGNORE_CASE, down_2_level); if (!gb_ali_name) { error = GBS_global_string("Alignment '%s' does not exist - it can't be checked.", alignment_name); } } if (!error) { // check whether we have an default alignment GBDATA *gb_use = GB_entry(gb_presets, "use"); if (!gb_use) { // if we have no default alignment -> look for any alignment GBDATA *gb_ali_name = GB_find_string(gb_presets,"alignment_name",alignment_name,GB_IGNORE_CASE,down_2_level); error = gb_ali_name ? GBT_write_string(gb_presets, "use", GB_read_char_pntr(gb_ali_name)) : "No alignment defined"; } } if (!alignment_name && !error) { // if all alignments are checked -> use species_name_hash to detect duplicated species and species w/o data GBDATA *gb_species; long duplicates = 0; species_name_hash = GBS_create_hash(GBT_get_species_hash_size(Main), GB_IGNORE_CASE); if (!error) { for (gb_species = GBT_first_species_rel_species_data(gb_sd); gb_species; gb_species = GBT_next_species(gb_species)) { const char *name = GBT_read_name(gb_species); if (GBS_read_hash(species_name_hash, name)) duplicates++; GBS_incr_hash(species_name_hash, name); } } if (duplicates) { error = GBS_global_string("Database is corrupted:\n" "Found %li duplicated species with identical names!\n" "Fix the problem using\n" " 'Search For Equal Fields and Mark Duplicates'\n" "in ARB_NTREE search tool, save DB and restart ARB." , duplicates); } } if (!error) { GBDATA *gb_ali; for (gb_ali = GB_entry(gb_presets,"alignment"); gb_ali && !error; gb_ali = GB_nextEntry(gb_ali)) { error = GBT_check_alignment(Main, gb_ali, species_name_hash); } } if (species_name_hash) { if (!error) { long counter = 0; GBS_hash_do_loop(species_name_hash, check_for_species_without_data, &counter); if (counter>0) { GB_warningf("Found %li species without alignment data (only some were listed)", counter); } } GBS_free_hash(species_name_hash); } return error; } /******************************************************************************************** some alignment header functions ********************************************************************************************/ char **GBT_get_alignment_names(GBDATA *gbd) { /* get all alignment names out of a database (array of strings, the last stringptr is zero) Note: use GBT_free_names() to free strings+array */ GBDATA *presets; GBDATA *ali; GBDATA *name; long size; char **erg; presets = GB_search(gbd,"presets",GB_CREATE_CONTAINER); size = 0; for (ali = GB_entry(presets,"alignment"); ali; ali = GB_nextEntry(ali)) { size ++; } erg = (char **)GB_calloc(sizeof(char *),(size_t)size+1); size = 0; for (ali = GB_entry(presets,"alignment"); ali; ali = GB_nextEntry(ali)) { name = GB_entry(ali,"alignment_name"); if (!name) { erg[size] = strdup("alignment_name ???"); }else{ erg[size] = GB_read_string(name); } size ++; } return erg; } static char *gbt_nonexisting_alignment(GBDATA *gbMain) { char *ali_other = 0; int counter; for (counter = 1; !ali_other; ++counter) { ali_other = GBS_global_string_copy("ali_x%i", counter); if (GBT_get_alignment(gbMain, ali_other) != 0) freeset(ali_other, 0); // exists -> continue } return ali_other; } GB_ERROR GBT_check_alignment_name(const char *alignment_name) { GB_ERROR error; if ( (error = GB_check_key(alignment_name)) ) return error; if (strncmp(alignment_name,"ali_",4)){ return GB_export_errorf("your alignment_name '%s' must start with 'ali_'", alignment_name); } return 0; } static GB_ERROR create_ali_strEntry(GBDATA *gb_ali, const char *field, const char *strval, long write_protection) { GB_ERROR error = 0; GBDATA *gb_sub = GB_create(gb_ali, field, GB_STRING); if (!gb_sub) error = GB_await_error(); else { error = GB_write_string(gb_sub, strval); if (!error) error = GB_write_security_delete(gb_sub, 7); if (!error) error = GB_write_security_write(gb_sub, write_protection); } if (error) { error = GBS_global_string("failed to create alignment subentry '%s'\n" "(Reason: %s)", field, error); } return error; } static GB_ERROR create_ali_intEntry(GBDATA *gb_ali, const char *field, int intval, long write_protection) { GB_ERROR error = 0; GBDATA *gb_sub = GB_create(gb_ali, field, GB_INT); if (!gb_sub) error = GB_await_error(); else { error = GB_write_int(gb_sub, intval); if (!error) error = GB_write_security_delete(gb_sub, 7); if (!error) error = GB_write_security_write(gb_sub, write_protection); } if (error) { error = GBS_global_string("failed to create alignment subentry '%s'\n" "(Reason: %s)", field, error); } return error; } GBDATA *GBT_create_alignment(GBDATA *gbd, const char *name, long len, long aligned, long security, const char *type) { /* create alignment * * returns pointer to alignment or * NULL (in this case an error has been exported) */ GB_ERROR error = NULL; GBDATA *gb_presets = GB_search(gbd, "presets", GB_CREATE_CONTAINER); GBDATA *result = NULL; if (!gb_presets) { error = GBS_global_string("can't find/create 'presets' (Reason: %s)", GB_await_error()); } else { error = GBT_check_alignment_name(name); if (!error && (security<0 || security>6)) { error = GBS_global_string("Illegal security value %li (allowed 0..6)", security); } if (!error) { const char *allowed_types = ":dna:rna:ami:usr:"; int tlen = strlen(type); const char *found = strstr(allowed_types, type); if (!found || found == allowed_types || found[-1] != ':' || found[tlen] != ':') { error = GBS_global_string("Invalid alignment type '%s'", type); } } if (!error) { GBDATA *gb_name = GB_find_string(gb_presets, "alignment_name", name, GB_IGNORE_CASE, down_2_level); if (gb_name) error = GBS_global_string("Alignment '%s' already exists", name); else { GBDATA *gb_ali = GB_create_container(gb_presets, "alignment"); if (!gb_ali) error = GB_await_error(); else { error = GB_write_security_delete(gb_ali, 6); if (!error) error = create_ali_strEntry(gb_ali, "alignment_name", name, 6); if (!error) error = create_ali_intEntry(gb_ali, "alignment_len", len, 0); if (!error) error = create_ali_intEntry(gb_ali, "aligned", aligned <= 0 ? 0 : 1, 0); if (!error) error = create_ali_intEntry(gb_ali, "alignment_write_security", security, 6); if (!error) error = create_ali_strEntry(gb_ali, "alignment_type", type, 0); } if (!error) result = gb_ali; } } } if (!result) { ad_assert(error); GB_export_errorf("in GBT_create_alignment: %s", error); } #if defined(DEBUG) else ad_assert(!error); #endif /* DEBUG */ return result; } NOT4PERL GB_ERROR GBT_check_alignment(GBDATA *gb_main, GBDATA *preset_alignment, GB_HASH *species_name_hash) /* check if alignment is of the correct size and whether all data is present. Sets the security deletes and writes. If 'species_name_hash' is not NULL, it initially has to contain value == 1 for each existing species. Afterwards it contains value == 2 for each species where an alignment has been found. */ { GBDATA *gb_species_data = GBT_find_or_create(gb_main,"species_data",7); GBDATA *gb_extended_data = GBT_find_or_create(gb_main,"extended_data",7); GB_ERROR error = 0; char *ali_name = GBT_read_string(preset_alignment, "alignment_name"); if (!ali_name) error = "Alignment w/o 'alignment_name'"; if (!error) { long security_write = -1; long stored_ali_len = -1; long found_ali_len = -1; long aligned = 1; GBDATA *gb_ali_len = 0; { GBDATA *gb_ali_wsec = GB_entry(preset_alignment,"alignment_write_security"); if (!gb_ali_wsec) { error = "has no 'alignment_write_security' entry"; } else { security_write = GB_read_int(gb_ali_wsec); } } if (!error) { gb_ali_len = GB_entry(preset_alignment,"alignment_len"); if (!gb_ali_len) { error = "has no 'alignment_len' entry"; } else { stored_ali_len = GB_read_int(gb_ali_len); } } if (!error) { GBDATA *gb_species; for (gb_species = GBT_first_species_rel_species_data(gb_species_data); gb_species && !error; gb_species = GBT_next_species(gb_species)) { GBDATA *gb_name = GB_entry(gb_species,"name"); const char *name = 0; int alignment_seen = 0; GBDATA *gb_ali = 0; if (!gb_name) { // fatal: name is missing -> create a unique name char *unique = GBT_create_unique_species_name(gb_main, "autoname."); error = GBT_write_string(gb_species, "name", unique); if (!error) { gb_name = GB_entry(gb_species, "name"); GBS_write_hash(species_name_hash, unique, 1); // not seen before GB_warningf("Seen unnamed species (gave name '%s')", unique); } free(unique); } if (!error) { name = GB_read_char_pntr(gb_name); if (species_name_hash) { int seen = GBS_read_hash(species_name_hash, name); gb_assert(seen != 0); // species_name_hash not initialized correctly if (seen == 2) alignment_seen = 1; // already seen an alignment } } if (!error) { GB_push_my_security(gb_name); error = GB_write_security_delete(gb_name,7); if (!error) error = GB_write_security_write(gb_name,6); if (!error) { gb_ali = GB_entry(gb_species, ali_name); if (gb_ali) { GBDATA *gb_data = GB_entry(gb_ali, "data"); if (!gb_data) { error = GBT_write_string(gb_ali, "data", "Error: entry 'data' was missing and therefore was filled with this text."); GB_warningf("No '%s/data' entry for species '%s' (has been filled with dummy data)", ali_name, name); } else { if (GB_read_type(gb_data) != GB_STRING){ GB_delete(gb_data); error = GBS_global_string("'%s/data' of species '%s' had wrong DB-type (%s) and has been deleted!", ali_name, name, GB_read_key_pntr(gb_data)); } else { long data_len = GB_read_string_count(gb_data); if (found_ali_len != data_len) { if (found_ali_len>0) aligned = 0; if (found_ali_len0) aligned = 0; if (found_ali_len '%s' -> '%s' (to avoid case-problem)\n", source, ali_other, dest); error = GBT_rename_alignment(gbMain, source, ali_other, 1, dele); if (!error) error = GBT_rename_alignment(gbMain, ali_other, dest, 1, 1); free(ali_other); } return error; } /* ------------------------------------------- */ /* alignment related item functions */ GBDATA *GBT_add_data(GBDATA *species,const char *ali_name, const char *key, GB_TYPES type) { /* goes to header: __ATTR__DEPRECATED */ /* replace this function by GBT_create_sequence_data * the same as GB_search(species, 'ali_name/key', GB_CREATE) */ GBDATA *gb_gb; GBDATA *gb_data; if (GB_check_key(ali_name)) { return NULL; } if (GB_check_hkey(key)) { return NULL; } gb_gb = GB_entry(species,ali_name); if (!gb_gb) gb_gb = GB_create_container(species,ali_name); if (type == GB_STRING) { gb_data = GB_search(gb_gb, key, GB_FIND); if (!gb_data){ gb_data = GB_search(gb_gb, key, GB_STRING); GB_write_string(gb_data,"..."); } } else{ gb_data = GB_search(gb_gb, key, type); } return gb_data; } NOT4PERL GBDATA *GBT_create_sequence_data(GBDATA *species,const char *ali_name, const char *key, GB_TYPES type, int security_write) { GBDATA *gb_data = GBT_add_data(species, ali_name, key, type); if (gb_data) { GB_ERROR error = GB_write_security_write(gb_data, security_write); if (error) { GB_export_error(error); gb_data = 0; } } return gb_data; } GB_ERROR GBT_write_sequence(GBDATA *gb_data, const char *ali_name, long ali_len, const char *sequence) { /* writes a sequence which is generated by GBT_add_data, * cuts sequence after alignment len only if bases e ".-nN" */ int slen = strlen(sequence); int old_char = 0; GB_ERROR error = 0; if (slen > ali_len) { int i; for (i= slen -1; i>=ali_len; i--) { if (!strchr("-.nN",sequence[i])) break; /* real base after end of alignment */ } i++; /* points to first 0 after alignment */ if (i > ali_len){ GBDATA *gb_main = GB_get_root(gb_data); ali_len = GBT_get_alignment_len(gb_main,ali_name); if (slen > ali_len){ /* check for modified alignment len */ GBT_set_alignment_len(gb_main,ali_name,i); ali_len = i; } } if (slen > ali_len){ old_char = sequence[ali_len]; ((char*)sequence)[ali_len] = 0; } } error = GB_write_string(gb_data,sequence); if (slen> ali_len) ((char*)sequence)[ali_len] = old_char; return error; } GBDATA *GBT_gen_accession_number(GBDATA *gb_species,const char *ali_name) { GBDATA *gb_acc = GB_entry(gb_species,"acc"); if (!gb_acc) { GBDATA *gb_data = GBT_read_sequence(gb_species,ali_name); if (gb_data) { /* found a valid alignment */ GB_CSTR sequence = GB_read_char_pntr(gb_data); long id = GBS_checksum(sequence,1,".-"); const char *acc = GBS_global_string("ARB_%lX", id); GB_ERROR error = GBT_write_string(gb_species, "acc", acc); if (error) GB_export_error(error); } } return gb_acc; } int GBT_is_partial(GBDATA *gb_species, int default_value, int define_if_undef) { // checks whether a species has a partial or full sequence // // Note: partial sequences should not be used for tree calculations // // returns: 0 if sequence is full // 1 if sequence is partial // -1 in case of error (which is exported in this case) // // if the sequence has no 'ARB_partial' entry it returns 'default_value' // if 'define_if_undef' is true then create an 'ARB_partial'-entry with the default value int result = -1; GB_ERROR error = 0; GBDATA *gb_partial = GB_entry(gb_species, "ARB_partial"); if (gb_partial) { result = GB_read_int(gb_partial); if (result != 0 && result != 1) { error = "Illegal value for 'ARB_partial' (only 1 or 0 allowed)"; } } else { if (define_if_undef) { error = GBT_write_int(gb_species, "ARB_partial", default_value); } result = default_value; } if (error) { GB_export_error(error); return -1; } return result; } #if defined(DEVEL_RALF) #warning rename GBT_read_sequence - it does not read the sequence itself #endif /* DEVEL_RALF */ GBDATA *GBT_read_sequence(GBDATA *gb_species, const char *aliname) { GBDATA *gb_ali = GB_entry(gb_species, aliname); return gb_ali ? GB_entry(gb_ali, "data") : 0; } /******************************************************************************************** alignment procedures ********************************************************************************************/ char *GBT_get_default_alignment(GBDATA *gb_main) { return GBT_read_string(gb_main, "presets/use"); } GB_ERROR GBT_set_default_alignment(GBDATA *gb_main,const char *alignment_name) { return GBT_write_string(gb_main, "presets/use", alignment_name); } GBDATA *GBT_get_alignment(GBDATA *gb_main, const char *aliname) { GBDATA *gb_presets = GB_search(gb_main, "presets", GB_CREATE_CONTAINER); GBDATA *gb_alignment_name = GB_find_string(gb_presets,"alignment_name",aliname,GB_IGNORE_CASE,down_2_level); if (!gb_alignment_name) { GB_export_errorf("alignment '%s' not found", aliname); return NULL; } return GB_get_father(gb_alignment_name); } #if defined(DEVEL_RALF) #warning recode and change result type to long* ? #endif /* DEVEL_RALF */ long GBT_get_alignment_len(GBDATA *gb_main, const char *aliname) { GBDATA *gb_alignment = GBT_get_alignment(gb_main, aliname); return gb_alignment ? *GBT_read_int(gb_alignment, "alignment_len") : -1; } GB_ERROR GBT_set_alignment_len(GBDATA *gb_main, const char *aliname, long new_len) { GB_ERROR error = 0; GBDATA *gb_alignment = GBT_get_alignment(gb_main, aliname); if (gb_alignment) { GB_push_my_security(gb_main); error = GBT_write_int(gb_alignment, "alignment_len", new_len); /* write new len */ if (!error) error = GBT_write_int(gb_alignment, "aligned", 0); /* mark as unaligned */ GB_pop_my_security(gb_main); } else error = GB_export_errorf("Alignment '%s' not found", aliname); return error; } int GBT_get_alignment_aligned(GBDATA *gb_main, const char *aliname) { GBDATA *gb_alignment = GBT_get_alignment(gb_main, aliname); return gb_alignment ? *GBT_read_int(gb_alignment, "aligned") : -1; } char *GBT_get_alignment_type_string(GBDATA *gb_main, const char *aliname) { char *result = NULL; GBDATA *gb_alignment = GBT_get_alignment(gb_main, aliname); if (gb_alignment) { result = GBT_read_string(gb_alignment, "alignment_type"); gb_assert(result); } return result; } GB_alignment_type GBT_get_alignment_type(GBDATA *gb_main, const char *aliname) { char *ali_type = GBT_get_alignment_type_string(gb_main, aliname); GB_alignment_type at = GB_AT_UNKNOWN; if (ali_type) { switch(ali_type[0]) { case 'r': if (strcmp(ali_type, "rna")==0) at = GB_AT_RNA; break; case 'd': if (strcmp(ali_type, "dna")==0) at = GB_AT_DNA; break; case 'a': if (strcmp(ali_type, "ami")==0) at = GB_AT_AA; break; case 'p': if (strcmp(ali_type, "pro")==0) at = GB_AT_AA; break; default: ad_assert(0); break; } free(ali_type); } return at; } GB_BOOL GBT_is_alignment_protein(GBDATA *gb_main,const char *alignment_name) { return GBT_get_alignment_type(gb_main,alignment_name) == GB_AT_AA; } /* ----------------------- */ /* gene sequence */ static const char *gb_cache_genome(GBDATA *gb_genome) { static GBDATA *gb_last_genome = 0; static char *last_genome = 0; if (gb_genome != gb_last_genome) { free(last_genome); last_genome = GB_read_string(gb_genome); gb_last_genome = gb_genome; } return last_genome; } struct gene_part_pos { int parts; // initialized for parts unsigned char *certain; // contains parts "=" chars char offset[256]; }; static struct gene_part_pos *gpp = 0; static void init_gpp(int parts) { if (!gpp) { int i; gpp = malloc(sizeof(*gpp)); gpp->certain = 0; for (i = 0; i<256; ++i) gpp->offset[i] = 0; gpp->offset[(int)'+'] = 1; gpp->offset[(int)'-'] = -1; } else { if (parts>gpp->parts) freeset(gpp->certain, 0); } if (!gpp->certain) { int forParts = parts+10; gpp->certain = malloc(forParts+1); memset(gpp->certain, '=', forParts); gpp->certain[forParts] = 0; gpp->parts = forParts; } } static void getPartPositions(const struct GEN_position *pos, int part, size_t *startPos, size_t *stopPos) { // returns 'startPos' and 'stopPos' of one part of a gene gb_assert(partparts); *startPos = pos->start_pos[part]+gpp->offset[(pos->start_uncertain ? pos->start_uncertain : gpp->certain)[part]]; *stopPos = pos->stop_pos [part]+gpp->offset[(pos->stop_uncertain ? pos->stop_uncertain : gpp->certain)[part]]; } NOT4PERL char *GBT_read_gene_sequence_and_length(GBDATA *gb_gene, GB_BOOL use_revComplement, char partSeparator, size_t *gene_length) { // return the sequence data of a gene // // if use_revComplement is true -> use data from complementary strand (if complement is set for gene) // otherwise -> use data from primary strand (sort+merge parts by position) // // if partSeparator not is 0 -> insert partSeparator between single (non-merged) parts // // returns sequence as result (and length of sequence if 'gene_length' points to something) // // if 'pos_certain' contains '+', start behind position (or end at position) // '-', start at position (or end before position) // // For zero-length genes (e.g. "711^712") this function returns an empty string. GB_ERROR error = 0; char *result = 0; GBDATA *gb_species = GB_get_grandfather(gb_gene); struct GEN_position *pos = GEN_read_position(gb_gene); if (!pos) error = GB_await_error(); else { GBDATA *gb_seq = GBT_read_sequence(gb_species, "ali_genom"); unsigned long seq_length = GB_read_count(gb_seq); int p; int parts = pos->parts; int resultlen = 0; int separatorSize = partSeparator ? 1 : 0; init_gpp(parts); // test positions and calculate overall result length for (p = 0; pstart_pos[p]; size_t stop; // = pos->stop_pos[p]; getPartPositions(pos, p, &start, &stop); if (start<1 || start>(stop+1) || stop > seq_length) { // do not reject zero-length genes (start == stop+1) error = GBS_global_string("Illegal gene position(s): start=%zu, end=%zu, seq.length=%li", start, stop, seq_length); } else { resultlen += stop-start+1; } } if (separatorSize) resultlen += (parts-1)*separatorSize; if (!error) { char T_or_U = 0; if (use_revComplement) { error = GBT_determine_T_or_U(GB_AT_DNA, &T_or_U, "reverse-complement"); } else if (parts>1) { GEN_sortAndMergeLocationParts(pos); parts = pos->parts; // may have changed } if (!error) { const char *seq_data = gb_cache_genome(gb_seq); char *resultpos; result = malloc(resultlen+1); resultpos = result; if (gene_length) *gene_length = resultlen; for (p = 0; pstart_pos[p]; size_t stop; // = pos->stop_pos[p]; getPartPositions(pos, p, &start, &stop); int len = stop-start+1; if (separatorSize && p>0) *resultpos++ = partSeparator; memcpy(resultpos, seq_data+start-1, len); if (T_or_U && pos->complement[p]) { GBT_reverseComplementNucSequence(resultpos, len, T_or_U); } resultpos += len; } resultpos[0] = 0; } } GEN_free_position(pos); } gb_assert(result || error); if (error) { char *id = GEN_global_gene_identifier(gb_gene, gb_species); error = GB_export_errorf("Can't read sequence of '%s' (Reason: %s)", id, error); free(id); free(result); result = 0; } return result; } char *GBT_read_gene_sequence(GBDATA *gb_gene, GB_BOOL use_revComplement, char partSeparator) { return GBT_read_gene_sequence_and_length(gb_gene, use_revComplement, partSeparator, 0); } ./arbsrc_9167/ARBDB/adChangeKey.c0000644012664100000130000002253211440743000016255 0ustar arb_buildcoders/* =========================================================== */ /* */ /* File : adChangeKey.c */ /* Purpose : Changekey Management */ /* */ /* Coded by Elmar Pruesse and Ralf Westram in May 2009 */ /* Institute of Microbiology (Technical University Munich) */ /* http://www.arb-home.de/ */ /* */ /* =========================================================== */ #include #include #include #include // get the container of a species key description GBDATA *GBT_get_changekey(GBDATA *gb_main, const char *key, const char *change_key_path) { #if defined(DEVEL_RALF) #warning check if search for CHANGEKEY_NAME should be case-sensitive! #endif // DEVEL_RALF GBDATA *gb_key = 0; GBDATA *gb_key_data = GB_search(gb_main, change_key_path, GB_CREATE_CONTAINER); if (gb_key_data) { GBDATA *gb_key_name = GB_find_string(gb_key_data, CHANGEKEY_NAME, key, GB_IGNORE_CASE, down_2_level); if (gb_key_name) { gb_key = GB_get_father(gb_key_name); } } return gb_key; } GB_TYPES GBT_get_type_of_changekey(GBDATA *gb_main, const char *field_name, const char *change_key_path) { GB_TYPES type = GB_NONE; GBDATA *gbd = GBT_get_changekey(gb_main,field_name, change_key_path); if (gbd) { long *typePtr = GBT_read_int(gbd, CHANGEKEY_TYPE); if (typePtr) { type = (GB_TYPES)*typePtr; } } return type; } GB_ERROR gbt_set_type_of_changekey(GBDATA *gb_main, const char *field_name, GB_TYPES type, const char *change_key_path) { GB_ERROR error = NULL; GBDATA *gbd = GBT_get_changekey(gb_main, field_name, change_key_path); if (!gbd) { error = GBS_global_string("Can't set type of nonexistent changekey " "\"%s\"", field_name); } else { error = GBT_write_int(gbd, CHANGEKEY_TYPE, type); } return error; } GB_ERROR GBT_add_new_changekey_to_keypath(GBDATA *gb_main,const char *name, int type, const char *keypath) { GB_ERROR error = NULL; GBDATA *gb_key = GBT_get_changekey(gb_main, name, keypath); char *c = GB_first_non_key_char(name); if (c) { char *new_name = strdup(name); *GB_first_non_key_char(new_name) = 0; if (*c =='/') { error = GBT_add_new_changekey(gb_main, new_name, GB_DB); } else if (*c =='-') { error = GBT_add_new_changekey(gb_main, new_name, GB_LINK); } else { error = GBS_global_string("Cannot add '%s' to your key list " "(illegal character '%c')", name, *c); } free(new_name); } if (!error) { if (!gb_key) { // create new key GBDATA *gb_key_data = GB_search(gb_main, keypath, GB_CREATE_CONTAINER); gb_key = gb_key_data ? GB_create_container(gb_key_data, CHANGEKEY) : 0; if (!gb_key) { error = GB_await_error(); } else { error = GBT_write_string(gb_key, CHANGEKEY_NAME, name); if (!error) error = GBT_write_int(gb_key, CHANGEKEY_TYPE, type); } } else { // check type of existing key long *elem_type = GBT_read_int(gb_key, CHANGEKEY_TYPE); if (!elem_type) { error = GB_await_error(); } else if (*elem_type != type) { error = GBS_global_string("Key '%s' exists, " "but has different type", name); } } } gb_assert(gb_key || error); return error; } GB_ERROR GBT_add_new_changekey(GBDATA *gb_main,const char *name, int type) { return GBT_add_new_changekey_to_keypath(gb_main, name, type, CHANGE_KEY_PATH); } GB_ERROR GBT_add_new_gene_changekey(GBDATA *gb_main,const char *name, int type) { return GBT_add_new_changekey_to_keypath(gb_main, name, type, CHANGE_KEY_PATH_GENES); } GB_ERROR GBT_add_new_experiment_changekey(GBDATA *gb_main,const char *name, int type) { return GBT_add_new_changekey_to_keypath(gb_main, name, type, CHANGE_KEY_PATH_EXPERIMENTS); } static GB_ERROR write_as_int(GBDATA *gbfield, const char *data, GB_BOOL trimmed, size_t *rounded) { char *end = 0; unsigned long i = strtoul(data, &end, 10); GB_ERROR error = NULL; if (end == data || end[0] != 0) { if (trimmed) { // fallback: convert to double and round double d = strtod(data, &end); if (end == data || end[0] != 0) { error = GBS_global_string("cannot convert '%s' to rounded numeric value", data); } else { (*rounded)++; i = d>0 ? (int)(d+0.5) : (int)(d-0.5); error = GB_write_int(gbfield, i); if (error) error = GBS_global_string("write error (%s)", error); } } else { char *trimmed_data = GBS_trim(data); error = write_as_int(gbfield, trimmed_data, GB_TRUE, rounded); free(trimmed_data); } } else { error = GB_write_int(gbfield, i); if (error) error = GBS_global_string("write error (%s)", error); } return error; } static GB_ERROR write_as_float(GBDATA *gbfield, const char *data, GB_BOOL trimmed) { char *end = 0; double d = strtod(data, &end); GB_ERROR error = NULL; if (end == data || end[0] != 0) { if (trimmed) { error = GBS_global_string("cannot convert '%s' to numeric value", data); } else { char *trimmed_data = GBS_trim(data); error = write_as_float(gbfield, trimmed_data, GB_TRUE); free(trimmed_data); } } else { error = GB_write_float(gbfield, d); if (error) error = GBS_global_string("write error (%s)", error); } return error; } GB_ERROR GBT_convert_changekey(GBDATA *gb_main, const char *name, int target_type) { GB_ERROR error = GB_push_transaction(gb_main); GB_BOOL need_convert = GB_TRUE; if (!error) { GBDATA *gbkey = GBT_get_changekey(gb_main, name, CHANGE_KEY_PATH); if (gbkey) { int source_type = *GBT_read_int(gbkey, CHANGEKEY_TYPE); if (source_type == target_type) need_convert = GB_FALSE; } else { error = GBS_global_string("Unknown changekey '%s'", name); } } if (!error && need_convert) { GBDATA *gbspec = GBT_first_species(gb_main); size_t rounded = 0; for (;gbspec && !error; gbspec = GBT_next_species(gbspec)) { GBDATA *gbfield = GB_entry(gbspec, name); // If entry does not exist, no need to convert (sparse population is valid => 'NULL' value) if (gbfield) { char *data = GB_read_as_string(gbfield); if (!data) { error = GBS_global_string("read error (%s)", GB_await_error()); } else { error = GB_delete(gbfield); if (!error) { gbfield = GB_create(gbspec, name, target_type); if (!gbfield) { error = GBS_global_string("create error (%s)", GB_await_error()); } else { switch (target_type) { case GB_INT: error = write_as_int(gbfield, data, GB_FALSE, &rounded); break; case GB_FLOAT: error = write_as_float(gbfield, data, GB_FALSE); break; case GB_STRING: error = GB_write_string(gbfield, data); if (error) error = GBS_global_string("write error (%s)", error); break; default: error = "Conversion is not possible"; break; } } } free(data); } } } if (error && gbspec) { const char *spname = GBT_read_name(gbspec); error = GBS_global_string("%s for species '%s'", error, spname); } if (!error) error = gbt_set_type_of_changekey(gb_main, name, target_type, CHANGE_KEY_PATH); if (!error && rounded>0) { GB_warningf("%zi values were rounded (loss of precision)", rounded); } } if (error) error = GBS_global_string("GBT_convert: %s", error); return GB_end_transaction(gb_main, error); } ./arbsrc_9167/ARBDB/adcolumns.c0000644012664100000130000004272511440743000016105 0ustar arb_buildcoders/* ============================================================ */ /* */ /* File : adcolumns.c */ /* Purpose : insert/delete columns */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* www.arb-home.de */ /* */ /* ============================================================ */ #include #include #include #include #include /* ----------------------- */ /* insert/delete */ static char *insDelBuffer = 0; static size_t insDelBuffer_size; static void free_insDelBuffer() { freeset(insDelBuffer, 0); } static const char *gbt_insert_delete(const char *source, long srclen, long destlen, long *newlenPtr, long pos, long nchar, long mod, char insert_what, char insert_tail, int extraByte) { /* removes elems from or inserts elems into an array * * srclen len of source * destlen if != 0, then cut or append characters to get this len, otherwise keep srclen * newlenPtr the resulting len * pos where to insert/delete * nchar and how many items * mod size of an item * insert_what insert this character (mod times) * insert_tail append this character (if destlen>srclen) * extraByte 0 or 1. append extra zero byte at end? use 1 for strings! * * resulting array has destlen+nchar elements * * 1. array size is corrected to 'destlen' (by appending/cutting tail) * 2. part is deleted inserted */ const char *result; pos *= mod; nchar *= mod; srclen *= mod; destlen *= mod; if (!destlen) destlen = srclen; /* if no destlen is set then keep srclen */ if ((nchar<0) && (pos-nchar>destlen)) nchar = pos-destlen; /* clip maximum characters to delete at end of array */ if (destlen == srclen && (pos>srclen || nchar == 0)) { /* length stays same and clip-range is empty or behind end of sequence */ /* before 26.2.09 the complete data was copied in this case - but nevertheless NULL(=failure) was returned. * I guess this was some test accessing complete data w/o writing anything back to DB, * but AFAIK it was not used anywhere --ralf */ result = NULL; } else { long newlen = destlen+nchar; /* length of result (w/o trailing zero-byte) */ if (newlen == 0) { result = ""; } else { size_t neededSpace = newlen+extraByte; if (insDelBuffer && insDelBuffer_sizesrclen) { /* insert/delete happens inside appended range */ insert_what = insert_tail; pos = srclen; /* insert/delete directly after source, to avoid illegal access below */ } gb_assert(pos >= 0); if (pos>0) { /* copy part left of pos */ memcpy(dest, source, (size_t)pos); dest += pos; source += pos; srclen -= pos; } if (nchar>0) { /* insert */ memset(dest, insert_what, (size_t)nchar); dest += nchar; } else if (nchar<0) { /* delete */ source += -nchar; srclen -= -nchar; } if (srclen>0) { /* copy rest of source */ memcpy(dest, source, (size_t)srclen); dest += srclen; source += srclen; srclen = 0; } long rest = newlen-(dest-insDelBuffer); gb_assert(rest >= 0); if (rest>0) { /* append tail */ memset(dest, insert_tail, rest); dest += rest; } if (extraByte) dest[0] = 0; /* append zero byte (used for strings) */ result = insDelBuffer; } *newlenPtr = newlen/mod; /* report result length */ } return result; } enum insDelTarget { IDT_SPECIES = 0, IDT_SAI, IDT_SECSTRUCT, }; static GB_CSTR targetType[] = { "Species", "SAI", "SeceditStruct", }; static GB_BOOL insdel_shall_be_applied_to(GBDATA *gb_data, enum insDelTarget target) { GB_BOOL apply = GB_TRUE; const char *key = GB_read_key_pntr(gb_data); if (key[0] == '_') { // dont apply to keys starting with '_' switch (target) { case IDT_SECSTRUCT: case IDT_SPECIES: apply = GB_FALSE; break; case IDT_SAI: if (strcmp(key, "_REF") != 0) { // despite key is _REF apply = GB_FALSE; } break; } } return apply; } struct insDel_params { char *ali_name; // name of alignment long ali_len; // wanted length of alignment long pos; // start position of insert/delete long nchar; // number of elements to insert/delete const char *delete_chars; // characters allowed to delete (array with 256 entries, value == 0 means deletion allowed) }; static GB_ERROR gbt_insert_character_gbd(GBDATA *gb_data, enum insDelTarget target, const struct insDel_params *params) { GB_ERROR error = 0; GB_TYPES type = GB_read_type(gb_data); if (type == GB_DB) { GBDATA *gb_child; for (gb_child = GB_child(gb_data); gb_child && !error; gb_child = GB_nextChild(gb_child)) { error = gbt_insert_character_gbd(gb_child, target, params); } } else { ad_assert(params->pos >= 0); if (type >= GB_BITS && type != GB_LINK) { long size = GB_read_count(gb_data); if (params->ali_len != size || params->nchar != 0) { /* nothing would change */ if (insdel_shall_be_applied_to(gb_data, target)) { GB_CSTR source = 0; long mod = sizeof(char); char insert_what = 0; char insert_tail = 0; char extraByte = 0; long pos = params->pos; long nchar = params->nchar; switch (type) { case GB_STRING: { source = GB_read_char_pntr(gb_data); extraByte = 1; insert_what = '-'; insert_tail = '.'; if (source) { if (nchar > 0) { /* insert */ if (pos dots are inserted at tail */ if ((pos>0 && source[pos-1] == '.') || source[pos] == '.') { /* dot at insert position? */ insert_what = '.'; /* insert dots */ } } } else { /* delete */ long after = pos+(-nchar); /* position after deleted part */ long p; GB_CSTR delete_chars = params->delete_chars; if (after>size) after = size; for (p = pos; p Operation aborted", source[p], p); } } } } break; } case GB_BITS: source = GB_read_bits_pntr(gb_data, '-', '+'); insert_what = '-'; insert_tail = '-'; break; case GB_BYTES: source = GB_read_bytes_pntr(gb_data); break; case GB_INTS: source = (GB_CSTR)GB_read_ints_pntr(gb_data); mod = sizeof(GB_UINT4); break; case GB_FLOATS: source = (GB_CSTR)GB_read_floats_pntr(gb_data); mod = sizeof(float); break; default : error = GBS_global_string("Unhandled type '%i'", type); GB_internal_error(error); break; } if (!error) { if (!source) error = GB_await_error(); else { long modified_len; GB_CSTR modified = gbt_insert_delete(source, size, params->ali_len, &modified_len, pos, nchar, mod, insert_what, insert_tail, extraByte); if (modified) { gb_assert(modified_len == (params->ali_len+params->nchar)); switch (type) { case GB_STRING: error = GB_write_string(gb_data, modified); break; case GB_BITS: error = GB_write_bits (gb_data, modified, modified_len, "-"); break; case GB_BYTES: error = GB_write_bytes (gb_data, modified, modified_len); break; case GB_INTS: error = GB_write_ints (gb_data, (GB_UINT4*)modified, modified_len); break; case GB_FLOATS: error = GB_write_floats(gb_data, (float*)modified, modified_len); break; default: gb_assert(0); break; } } } } } } } } return error; } static GB_ERROR gbt_insert_character_item(GBDATA *gb_item, enum insDelTarget item_type, const struct insDel_params *params) { GB_ERROR error = 0; GBDATA *gb_ali = GB_entry(gb_item, params->ali_name); if (gb_ali) { error = gbt_insert_character_gbd(gb_ali, item_type, params); if (error) { const char *item_name = GBT_read_name(gb_item); error = GBS_global_string("%s '%s': %s", targetType[item_type], item_name, error); } } return error; } static GB_ERROR gbt_insert_character(GBDATA *gb_item_data, const char *item_field, enum insDelTarget item_type, const struct insDel_params *params) { GBDATA *gb_item; GB_ERROR error = 0; long item_count = GB_number_of_subentries(gb_item_data); long count = 0; for (gb_item = GB_entry(gb_item_data, item_field); gb_item && !error; gb_item = GB_nextEntry(gb_item)) { error = gbt_insert_character_item(gb_item, item_type, params); count++; GB_status((double)count/item_count); } return error; } static GB_ERROR gbt_insert_character_secstructs(GBDATA *gb_secstructs, const struct insDel_params *params) { GB_ERROR error = 0; GBDATA *gb_ali = GB_entry(gb_secstructs, params->ali_name); if (gb_ali) { long item_count = GB_number_of_subentries(gb_ali)-1; long count = 0; GBDATA *gb_item; if (item_count<1) item_count = 1; for (gb_item = GB_entry(gb_ali, "struct"); gb_item && !error; gb_item = GB_nextEntry(gb_item)) { GBDATA *gb_ref = GB_entry(gb_item, "ref"); if (gb_ref) { error = gbt_insert_character_gbd(gb_ref, IDT_SECSTRUCT, params); if (error) { const char *item_name = GBT_read_name(gb_item); error = GBS_global_string("%s '%s': %s", targetType[IDT_SECSTRUCT], item_name, error); } } count++; GB_status((double)count/item_count); } } return error; } static GB_ERROR GBT_check_lengths(GBDATA *Main, const char *alignment_name) { GB_ERROR error = 0; GBDATA *gb_presets = GBT_find_or_create(Main,"presets",7); GBDATA *gb_species_data = GBT_find_or_create(Main,"species_data",7); GBDATA *gb_extended_data = GBT_find_or_create(Main,"extended_data",7); GBDATA *gb_secstructs = GB_search(Main,"secedit/structs", GB_CREATE_CONTAINER); GBDATA *gb_ali; struct insDel_params params = { 0, 0, 0, 0, 0 }; for (gb_ali = GB_entry(gb_presets,"alignment"); gb_ali && !error; gb_ali = GB_nextEntry(gb_ali)) { GBDATA *gb_name = GB_find_string(gb_ali,"alignment_name",alignment_name,GB_IGNORE_CASE,down_level); if (gb_name) { GBDATA *gb_len = GB_entry(gb_ali,"alignment_len"); params.ali_name = GB_read_string(gb_name); params.ali_len = GB_read_int(gb_len); error = gbt_insert_character(gb_extended_data, "extended", IDT_SAI, ¶ms); if (!error) error = gbt_insert_character(gb_species_data, "species", IDT_SPECIES, ¶ms); if (!error) error = gbt_insert_character_secstructs(gb_secstructs, ¶ms); freeset(params.ali_name, 0); } } free_insDelBuffer(); return error; } GB_ERROR GBT_format_alignment(GBDATA *Main, const char *alignment_name) { GB_ERROR err = 0; if (strcmp(alignment_name, GENOM_ALIGNMENT) != 0) { // NEVER EVER format 'ali_genom' err = GBT_check_data(Main, alignment_name); // detect max. length if (!err) err = GBT_check_lengths(Main, alignment_name); // format sequences in alignment if (!err) err = GBT_check_data(Main, alignment_name); // sets state to "formatted" } else { err = "It's forbidden to format '" GENOM_ALIGNMENT "'!"; } return err; } GB_ERROR GBT_insert_character(GBDATA *Main, char *alignment_name, long pos, long count, char *char_delete) { /* if count > 0 insert 'count' characters at pos * if count < 0 delete pos to pos+|count| * * Note: deleting is only performed, if found characters in deleted range are listed in 'char_delete' * otherwise function returns with error * * This affects all species' and SAIs having data in given 'alignment_name' and * modifies several data entries found there * (see insdel_shall_be_applied_to for details which fields are affected). */ GB_ERROR error = 0; if (pos<0) { error = GB_export_error("Illegal sequence position"); } else { GBDATA *gb_ali; GBDATA *gb_presets = GBT_find_or_create(Main,"presets",7); GBDATA *gb_species_data = GBT_find_or_create(Main,"species_data",7); GBDATA *gb_extended_data = GBT_find_or_create(Main,"extended_data",7); GBDATA *gb_secstructs = GB_search(Main,"secedit/structs", GB_CREATE_CONTAINER); char char_delete_list[256]; if (strchr(char_delete,'%') ) { memset(char_delete_list,0,256); } else { int ch; for (ch = 0;ch<256; ch++) { if (char_delete) { if (strchr(char_delete,ch)) char_delete_list[ch] = 0; else char_delete_list[ch] = 1; } else { char_delete_list[ch] = 0; } } } for (gb_ali = GB_entry(gb_presets, "alignment"); gb_ali && !error; gb_ali = GB_nextEntry(gb_ali)) { GBDATA *gb_name = GB_find_string(gb_ali, "alignment_name", alignment_name, GB_IGNORE_CASE, down_level); if (gb_name) { GBDATA *gb_len = GB_entry(gb_ali, "alignment_len"); long len = GB_read_int(gb_len); char *use = GB_read_string(gb_name); if (pos > len) { error = GBS_global_string("Can't insert at position %li (exceeds length %li of alignment '%s')", pos, len, use); } else { if (count < 0 && pos-count > len) count = pos - len; error = GB_write_int(gb_len, len + count); } if (!error) { struct insDel_params params = { use, len, pos, count, char_delete_list }; error = gbt_insert_character(gb_species_data, "species", IDT_SPECIES, ¶ms); if (!error) error = gbt_insert_character(gb_extended_data, "extended", IDT_SAI, ¶ms); if (!error) error = gbt_insert_character_secstructs(gb_secstructs, ¶ms); } free(use); } } free_insDelBuffer(); if (!error) GB_disable_quicksave(Main,"a lot of sequences changed"); } return error; } ./arbsrc_9167/ARBDB/adcomm.c0000644012664100000130000021415211440743000015353 0ustar arb_buildcoders#include #include #include #include #include #include /*#include "arbdb.h"*/ #include "adlocal.h" #include #include #include #include #include #include #include #include #include #include #if defined(SUN4) || defined(SUN5) # ifndef __cplusplus # define SIG_PF void (*)() # else # include /* c++ only for sun */ # endif #else # define SIG_PF void (*)(int ) #endif #define FD_SET_TYPE #define debug_printf(a,b) #define GBCMS_TRANSACTION_TIMEOUT 60*60 /* one hour timeout */ #define MAX_QUEUE_LEN 5 #define GBCM_COMMAND_UNFOLD (GBTUM_MAGIC_NUMBER) #define GBCM_COMMAND_GET_UPDATA (GBTUM_MAGIC_NUMBER+1) #define GBCM_COMMAND_PUT_UPDATE (GBTUM_MAGIC_NUMBER+2) #define GBCM_COMMAND_UPDATED (GBTUM_MAGIC_NUMBER+3) #define GBCM_COMMAND_BEGIN_TRANSACTION (GBTUM_MAGIC_NUMBER+4) #define GBCM_COMMAND_COMMIT_TRANSACTION (GBTUM_MAGIC_NUMBER+5) #define GBCM_COMMAND_ABORT_TRANSACTION (GBTUM_MAGIC_NUMBER+6) #define GBCM_COMMAND_INIT_TRANSACTION (GBTUM_MAGIC_NUMBER+7) #define GBCM_COMMAND_FIND (GBTUM_MAGIC_NUMBER+8) #define GBCM_COMMAND_CLOSE (GBTUM_MAGIC_NUMBER+9) #define GBCM_COMMAND_SYSTEM (GBTUM_MAGIC_NUMBER+10) #define GBCM_COMMAND_KEY_ALLOC (GBTUM_MAGIC_NUMBER+11) #define GBCM_COMMAND_UNDO (GBTUM_MAGIC_NUMBER+12) #define GBCM_COMMAND_DONT_WAIT (GBTUM_MAGIC_NUMBER+13) #define GBCM_COMMAND_SEND (GBTUM_MAGIC_NUMBER+0x1000) #define GBCM_COMMAND_SEND_COUNT (GBTUM_MAGIC_NUMBER+0x2000) #define GBCM_COMMAND_SETDEEP (GBTUM_MAGIC_NUMBER+0x3000) #define GBCM_COMMAND_SETINDEX (GBTUM_MAGIC_NUMBER+0x4000) #define GBCM_COMMAND_PUT_UPDATE_KEYS (GBTUM_MAGIC_NUMBER+0x5000) #define GBCM_COMMAND_PUT_UPDATE_CREATE (GBTUM_MAGIC_NUMBER+0x6000) #define GBCM_COMMAND_PUT_UPDATE_DELETE (GBTUM_MAGIC_NUMBER+0x7000) #define GBCM_COMMAND_PUT_UPDATE_UPDATE (GBTUM_MAGIC_NUMBER+0x8000) #define GBCM_COMMAND_PUT_UPDATE_END (GBTUM_MAGIC_NUMBER+0x9000) #define GBCM_COMMAND_TRANSACTION_RETURN (GBTUM_MAGIC_NUMBER+0x100000) #define GBCM_COMMAND_FIND_ERG (GBTUM_MAGIC_NUMBER+0x108000) #define GBCM_COMMAND_KEY_ALLOC_RES (GBTUM_MAGIC_NUMBER+0x10b000) #define GBCM_COMMAND_SYSTEM_RETURN (GBTUM_MAGIC_NUMBER+0x10a0000) #define GBCM_COMMAND_UNDO_CMD (GBTUM_MAGIC_NUMBER+0x10a0001) /*********************************** some structures *************************************/ /** Store all deleted items in a list */ struct gbcms_delete_list { struct gbcms_delete_list *next; long creation_date; long update_date; GBDATA *gbd; }; struct Socinf { struct Socinf *next; int socket; struct gbcms_delete_list *dl; /* point to last deleted item that is sent to this client */ char *username; }; void g_bcms_delete_Socinf(struct Socinf *THIS){ freeset(THIS->username, NULL); THIS->next = 0; free(THIS); } struct Hs_struct { int hso; char *unix_name; struct Socinf *soci; long nsoc; long timeout; GBDATA *gb_main; int wait_for_new_request; struct gbcms_delete_list *del_first; /* All deleted items, that are yet unknown to at least one client */ struct gbcms_delete_list *del_last; }; struct gbcms_create_struct { struct gbcms_create_struct *next; GBDATA *server_id; GBDATA *client_id; }; /* -------------------- */ /* Panic save */ GBCONTAINER *gbcms_gb_main; void *gbcms_sighup(void){ char *panic_file = 0; // hang-up trigger file char *db_panic = 0; // file to save DB to { const char *ap = GB_getenv("ARB_PID"); if (!ap) ap = ""; FILE *in = GB_fopen_tempfile(GBS_global_string("arb_panic_%s_%s", GB_getenvUSER(), ap), "rt", &panic_file); fprintf(stderr, "**** ARB DATABASE SERVER received a HANGUP SIGNAL ****\n" "- Looking for file '%s'\n", panic_file); db_panic = GB_read_fp(in); fclose(in); } if (!db_panic) { fprintf(stderr, "- Could not read '%s' (Reason: %s)\n" "[maybe retry]\n", panic_file, GB_await_error()); } else { char *newline = strchr(db_panic, '\n'); if (newline) newline[0] = 0; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbcms_gb_main); int translevel = Main->transaction; fprintf(stderr, "- Trying to save DATABASE in ASCII mode into file '%s'\n", db_panic); Main->transaction = 0; GB_ERROR error = GB_save_as((GBDATA *) gbcms_gb_main, db_panic, "a"); if (error) fprintf(stderr, "Error while saving '%s': %s\n", db_panic, error); else fprintf(stderr, "- DATABASE saved into '%s' (ASCII)\n", db_panic); unlink(panic_file); Main->transaction = translevel; free(db_panic); } return 0; } /************************************************************************************** server open ***************************************************************************************/ GB_ERROR GBCMS_open(const char *path, long timeout, GBDATA *gb_main) { GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GB_ERROR error = 0; if (Main->server_data) { error = "reopen of server not allowed"; } else { struct gbcmc_comm *comm = gbcmc_open(path); if (comm) { error = GBS_global_string("Socket '%s' already in use", path); gbcmc_close(comm); } else { int socket; char *unix_name; error = gbcm_open_socket(path, TCP_NODELAY, 0, &socket, &unix_name); if (!error) { signal(SIGPIPE,(SIG_PF)gbcms_sigpipe); signal(SIGHUP,(SIG_PF)gbcms_sighup); gbcms_gb_main = (GBCONTAINER *)gb_main; if (listen(socket, MAX_QUEUE_LEN) < 0) { error = GBS_global_string("could not listen (server; errno=%i)", errno); } else { struct Hs_struct *hs = (struct Hs_struct *)GB_calloc(sizeof(struct Hs_struct),1); hs->timeout = timeout; hs->gb_main = gb_main; hs->hso = socket; hs->unix_name = unix_name; Main->server_data = (void *)hs; } } } } if (error) { error = GBS_global_string("ARB_DB_SERVER_ERROR: %s", error); fprintf(stderr, "%s\n", error); } return error; } /************************************************************************************** server close ***************************************************************************************/ void GBCMS_shutdown(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->server_data) { struct Hs_struct *hs = (struct Hs_struct *)Main->server_data; struct Socinf *si; for (si=hs->soci; si; si=si->next) { shutdown(si->socket, 2); /* 2 = both dir */ close(si->socket); } shutdown(hs->hso, 2); if (hs->unix_name){ unlink(hs->unix_name); freeset(hs->unix_name, NULL); } close(hs->hso); freeset(Main->server_data, NULL); } } /************************************************************************************** server send deleted and updated ***************************************************************************************/ void gbcms_shift_delete_list(void *hsi,void *soi) { struct Hs_struct *hs = (struct Hs_struct *)hsi; struct Socinf *socinf = (struct Socinf *)soi; if (!hs->del_first) return; while ( (!socinf->dl) || (socinf->dl->next) ) { if (!socinf->dl) socinf->dl = hs->del_first; else socinf->dl = socinf->dl->next; } } /************************************************************************************** server send deleted and updated ***************************************************************************************/ int gbcms_write_deleted(int socket,GBDATA *gbd,long hsin,long client_clock, long *buffer) { struct Socinf *socinf; struct Hs_struct *hs; struct gbcms_delete_list *dl; hs = (struct Hs_struct *)hsin; for (socinf = hs->soci;socinf;socinf=socinf->next){ if (socinf->socket == socket) break; } if (!socinf) return 0; if (!hs->del_first) return 0; while (!socinf->dl || (socinf->dl->next) ) { if (!socinf->dl) socinf->dl = hs->del_first; else socinf->dl = socinf->dl->next; if (socinf->dl->creation_date>client_clock) continue; /* created and deleted object */ buffer[0] = GBCM_COMMAND_PUT_UPDATE_DELETE; buffer[1] = (long)socinf->dl->gbd; if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2) ) return GBCM_SERVER_FAULT; } for (socinf = hs->soci;socinf;socinf=socinf->next){ if (!socinf->dl) return 0; } while ( (dl = hs->del_first) ) { for (socinf = hs->soci;socinf;socinf=socinf->next){ if (socinf->dl == dl) return 0; } hs->del_first = dl->next; gbm_free_mem((char *)dl,sizeof(struct gbcms_delete_list),GBM_CB_INDEX); } gbd = gbd; return 0; } int gbcms_write_updated(int socket,GBDATA *gbd,long hsin,long client_clock, long *buffer) { struct Hs_struct *hs; int send_header = 0; if (GB_GET_EXT_UPDATE_DATE(gbd)<=client_clock) return 0; hs = (struct Hs_struct *)hsin; if ( GB_GET_EXT_CREATION_DATE(gbd) > client_clock) { buffer[0] = GBCM_COMMAND_PUT_UPDATE_CREATE; buffer[1] = (long)GB_FATHER(gbd); if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2) ) return GBCM_SERVER_FAULT; gbcm_write_bin(socket,gbd,buffer,1,0,1); }else{ /* send clients first */ if (GB_TYPE(gbd) == GB_DB) { GBDATA *gb2; GBCONTAINER *gbc = ((GBCONTAINER *)gbd); int index,end; end = (int)gbc->d.nheader; if ( gbc->header_update_date > client_clock) send_header = 1; buffer[0] = GBCM_COMMAND_PUT_UPDATE_UPDATE; buffer[1] = (long)gbd; if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2) ) return GBCM_SERVER_FAULT; gbcm_write_bin(socket,gbd,buffer,1,0,send_header); for (index = 0; index < end; index++) { if ( (gb2 = GBCONTAINER_ELEM(gbc,index)) ) { if (gbcms_write_updated(socket,gb2,hsin,client_clock,buffer)) return GBCM_SERVER_FAULT; } } }else{ buffer[0] = GBCM_COMMAND_PUT_UPDATE_UPDATE; buffer[1] = (long)gbd; if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2) ) return GBCM_SERVER_FAULT; gbcm_write_bin(socket,gbd,buffer,1,0,send_header); } } return 0; } int gbcms_write_keys(int socket,GBDATA *gbd) { int i; long buffer[4]; GB_MAIN_TYPE *Main = GB_MAIN(gbd); buffer[0] = GBCM_COMMAND_PUT_UPDATE_KEYS; buffer[1] = (long)gbd; buffer[2] = Main->keycnt; buffer[3] = Main->first_free_key; if (gbcm_write(socket,(const char *)buffer,4*sizeof(long)) ) return GBCM_SERVER_FAULT; for (i=1;ikeycnt;i++) { buffer[0] = Main->keys[i].nref; buffer[1] = Main->keys[i].next_free_key; if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2) ) return GBCM_SERVER_FAULT; if (gbcm_write_string(socket,Main->keys[i].key )) return GBCM_SERVER_FAULT; } return 0; } /************************************************************************************** server gbcms_talking_unfold GBCM_COMMAND_UNFOLD ***************************************************************************************/ int gbcms_talking_unfold(int socket,long *hsin,void *sin, GBDATA *gb_in) { GBCONTAINER *gbc = (GBCONTAINER *)gb_in; GB_ERROR error; GBDATA *gb2; char *buffer; long deep[1]; long index_pos[1]; int index,start,end; GBUSE(hsin);GBUSE(sin); if ( (error = gbcm_test_address((long *)gbc,GBTUM_MAGIC_NUMBER))) { return GBCM_SERVER_FAULT; } if (GB_TYPE(gbc) != GB_DB) return 1; if (gbcm_read_two(socket,GBCM_COMMAND_SETDEEP,0,deep)){ return GBCM_SERVER_FAULT; } if (gbcm_read_two(socket,GBCM_COMMAND_SETINDEX,0,index_pos)){ return GBCM_SERVER_FAULT; } gbcm_read_flush(socket); buffer = GB_give_buffer(1014); if (index_pos[0]==-2) { error = gbcm_write_bin(socket,gb_in,(long *)buffer,1,deep[0]+1,1); if (error) { return GBCM_SERVER_FAULT; } gbcm_write_flush(socket); return 0; } if (index_pos[0] >= 0) { start = (int)index_pos[0]; end = start + 1; if (gbcm_write_two(socket,GBCM_COMMAND_SEND_COUNT, 1)){ return GBCM_SERVER_FAULT; } }else{ start = 0; end = gbc->d.nheader; if (gbcm_write_two(socket,GBCM_COMMAND_SEND_COUNT, gbc->d.size)){ return GBCM_SERVER_FAULT; } } for (index = start; index < end; index++) { if ( (gb2 = GBCONTAINER_ELEM(gbc,index)) ) { error = gbcm_write_bin(socket,gb2,(long *)buffer,1,deep[0],1); if (error) { return GBCM_SERVER_FAULT; } } } gbcm_write_flush(socket); return 0; } /************************************************************************************** server gbcms_talking_get_update ***************************************************************************************/ int gbcms_talking_get_update(int socket,long *hsin,void *sin,GBDATA *gbd) { struct Hs_struct *hs = (struct Hs_struct *)hsin; GBUSE(hs); socket = socket; gbd = gbd; sin = sin; return 0; } /************************************************************************************** server gbcms_talking_put_update GBCM_COMMAND_PUT_UPDATE ***************************************************************************************/ int gbcms_talking_put_update(int socket, long *hsin, void *sin,GBDATA * gbd_dummy) { /* reads the date from a client read all changed data of the client */ GB_ERROR error; long irror; GBDATA *gbd; struct gbcms_create_struct *cs[1], *cs_main[1]; long *buffer; GB_BOOL end; struct Hs_struct *hs = (struct Hs_struct *) hsin; GBUSE(hs); GBUSE(sin); sin = sin; gbd_dummy = gbd_dummy; cs_main[0] = 0; buffer = (long *) GB_give_buffer(1024); end = GB_FALSE; while (!end) { if (gbcm_read(socket, (char *) buffer, sizeof(long) * 3) != sizeof(long) * 3) return GBCM_SERVER_FAULT; gbd = (GBDATA *) buffer[2]; if ( (error = gbcm_test_address((long *)gbd,GBTUM_MAGIC_NUMBER))) { GB_export_errorf("address %p not valid 3712",gbd); GB_print_error(); return GBCM_SERVER_FAULT; } switch (buffer[0]) { case GBCM_COMMAND_PUT_UPDATE_CREATE: irror = gbcm_read_bin(socket, (GBCONTAINER *)gbd, buffer, 1, 0,(void *)cs_main); if (irror) return GBCM_SERVER_FAULT; break; case GBCM_COMMAND_PUT_UPDATE_DELETE: gb_delete_force(gbd); break; case GBCM_COMMAND_PUT_UPDATE_UPDATE: irror = gbcm_read_bin(socket,0,buffer, 1,gbd,0); if (irror) return GBCM_SERVER_FAULT; break; case GBCM_COMMAND_PUT_UPDATE_END: end = GB_TRUE; break; default: return GBCM_SERVER_FAULT; } } gbcm_read_flush(socket); /* send all id's of newly created objects */ for (cs[0] = cs_main[0];cs[0];cs[0]=cs_main[0]) { cs_main[0] = cs[0]->next; buffer[0] = (long)cs[0]->client_id; buffer[1] = (long)cs[0]->server_id; if (gbcm_write(socket,(const char *)buffer, sizeof(long)*2)) return GBCM_SERVER_FAULT; free((char *)cs[0]); } buffer[0] = 0; if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2)) return GBCM_SERVER_FAULT; gbcm_write_flush(socket); return 0; } /************************************************************************************** server gbcms_talking_updated ***************************************************************************************/ int gbcms_talking_updated(int socket,long *hsin,void *sin, GBDATA *gbd) { struct Hs_struct *hs = (struct Hs_struct *)hsin; GBUSE(hs); socket = socket; gbd = gbd; sin = sin; return 0; } /************************************************************************************** server gbcms_talking_begin_transaction GBCM_COMMAND_INIT_TRANSACTION ***************************************************************************************/ int gbcms_talking_init_transaction(int socket,long *hsin,void *sin,GBDATA *gb_dummy) /* begin client transaction send clock */ { GBDATA *gb_main; GBDATA *gbd; struct Hs_struct *hs = (struct Hs_struct *)hsin; struct Socinf *si = (struct Socinf *)sin; long anz; long *buffer; char *user; fd_set set; struct timeval timeout; GB_MAIN_TYPE *Main; gb_dummy = gb_dummy; gb_main = hs->gb_main; Main = GB_MAIN(gb_main); gbd = gb_main; user = gbcm_read_string(socket); gbcm_read_flush(socket); if (gbcm_login((GBCONTAINER *)gbd,user)) { return GBCM_SERVER_FAULT; } si->username = user; gb_local->running_client_transaction = ARB_TRANS; if (gbcm_write_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,Main->clock)){ return GBCM_SERVER_FAULT; } if (gbcm_write_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,(long)gbd)){ return GBCM_SERVER_FAULT; } if (gbcm_write_two(socket,GBCM_COMMAND_TRANSACTION_RETURN, (long)Main->this_user->userid)){ return GBCM_SERVER_FAULT; } gbcms_write_keys(socket,gbd); gbcm_write_flush(socket); /* send modified data to client */ buffer = (long *)GB_give_buffer(1024); GB_begin_transaction(gbd); while (gb_local->running_client_transaction == ARB_TRANS){ FD_ZERO(&set); FD_SET(socket,&set); timeout.tv_sec = GBCMS_TRANSACTION_TIMEOUT; timeout.tv_usec = 100000; anz = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,NULL,&timeout); if (anz<0) continue; if (anz==0) { GB_export_errorf("ARB_DB ERROR CLIENT TRANSACTION TIMEOUT, CLIENT DISCONNECTED (I waited %lu seconds)",timeout.tv_sec); GB_print_error(); gb_local->running_client_transaction = ARB_ABORT; GB_abort_transaction(gbd); return GBCM_SERVER_FAULT; } if( GBCM_SERVER_OK == gbcms_talking(socket,hsin,sin )) continue; gb_local->running_client_transaction = ARB_ABORT; GB_abort_transaction(gbd); return GBCM_SERVER_FAULT; } if (gb_local->running_client_transaction == ARB_COMMIT) { GB_commit_transaction(gbd); gbcms_shift_delete_list(hsin,sin); }else{ GB_abort_transaction(gbd); } return 0; } /************************************************************************************** server gbcms_talking_begin_transaction GBCM_COMMAND_BEGIN_TRANSACTION ***************************************************************************************/ int gbcms_talking_begin_transaction(int socket,long *hsin,void *sin, long client_clock) /* begin client transaction send clock deleted created+updated */ { GBDATA *gb_main; GBDATA *gbd; struct Hs_struct *hs = (struct Hs_struct *)hsin; long anz; long *buffer; fd_set set; struct timeval timeout; gb_main = hs->gb_main; gbd = gb_main; gbcm_read_flush(socket); gb_local->running_client_transaction = ARB_TRANS; if (gbcm_write_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,GB_MAIN(gbd)->clock)){ return GBCM_SERVER_FAULT; } /* send modified data to client */ buffer = (long *)GB_give_buffer(1024); if (GB_MAIN(gb_main)->key_clock > client_clock) { if (gbcms_write_keys(socket,gbd)) return GBCM_SERVER_FAULT; } if (gbcms_write_deleted(socket,gbd,(long)hs,client_clock,buffer)) return GBCM_SERVER_FAULT; if (gbcms_write_updated(socket,gbd,(long)hs,client_clock,buffer)) return GBCM_SERVER_FAULT; buffer[0] = GBCM_COMMAND_PUT_UPDATE_END; buffer[1] = 0; if (gbcm_write(socket,(const char *)buffer,sizeof(long)*2)) return GBCM_SERVER_FAULT; if (gbcm_write_flush(socket)) return GBCM_SERVER_FAULT; GB_begin_transaction(gbd); while (gb_local->running_client_transaction == ARB_TRANS){ FD_ZERO(&set); FD_SET(socket,&set); timeout.tv_sec = GBCMS_TRANSACTION_TIMEOUT; timeout.tv_usec = 0; anz = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,NULL,&timeout); if (anz<0) continue; if (anz==0) { GB_export_errorf("ARB_DB ERROR CLIENT TRANSACTION TIMEOUT, CLIENT DISCONNECTED (I waited %lu seconds)",timeout.tv_sec); GB_print_error(); gb_local->running_client_transaction = ARB_ABORT; GB_abort_transaction(gbd); return GBCM_SERVER_FAULT; } if( GBCM_SERVER_OK == gbcms_talking(socket,hsin,sin )) continue; gb_local->running_client_transaction = ARB_ABORT; GB_abort_transaction(gbd); return GBCM_SERVER_FAULT; } if (gb_local->running_client_transaction == ARB_COMMIT) { GB_commit_transaction(gbd); gbcms_shift_delete_list(hsin,sin); }else{ GB_abort_transaction(gbd); } return 0; } /************************************************************************************** server gbcms_talking_commit_transaction GBCM_COMMAND_COMMIT_TRANSACTION ***************************************************************************************/ int gbcms_talking_commit_transaction(int socket,long *hsin,void *sin, GBDATA *gbd) { GB_ERROR error = 0; struct Hs_struct *hs = (struct Hs_struct *)hsin; GBUSE(hs); sin = sin; if ( (error = gbcm_test_address((long *)gbd,GBTUM_MAGIC_NUMBER)) ) { GB_export_errorf("address %p not valid 4783",gbd); GB_print_error(); if (error) return GBCM_SERVER_FAULT; return GBCM_SERVER_OK; } gb_local->running_client_transaction = ARB_COMMIT; gbcm_read_flush(socket); if (gbcm_write_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0)){ return GBCM_SERVER_FAULT; } if (gbcm_write_flush(socket)){ return GBCM_SERVER_FAULT; } return GBCM_SERVER_OK; } /************************************************************************************** server gbcms_talking_abort_transaction GBCM_COMMAND_ABORT_TRANSACTION ***************************************************************************************/ int gbcms_talking_abort_transaction(int socket,long *hsin,void *sin, GBDATA *gbd) { GB_ERROR error; struct Hs_struct *hs = (struct Hs_struct *)hsin; GBUSE(hs); sin = sin; if ( (error = gbcm_test_address((long *)gbd,GBTUM_MAGIC_NUMBER)) ) { GB_export_errorf("address %p not valid 4356",gbd); GB_print_error(); return GBCM_SERVER_FAULT; } gb_local->running_client_transaction = ARB_ABORT; gbcm_read_flush(socket); if (gbcm_write_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0)){ return GBCM_SERVER_FAULT; } if (gbcm_write_flush(socket)){ return GBCM_SERVER_FAULT; } return 0; } /************************************************************************************** gbcms_talking_close GBCM_COMMAND_CLOSE ***************************************************************************************/ int gbcms_talking_close(int socket,long *hsin,void *sin,GBDATA *gbd) { gbd = gbd; socket = socket; hsin = hsin; sin = sin; return GBCM_SERVER_ABORTED; } /************************************************************************************** gbcms_talking_system GBCM_COMMAND_SYSTEM ***************************************************************************************/ int gbcms_talking_system(int socket,long *hsin,void *sin,GBDATA *gbd) { char *comm = gbcm_read_string(socket); gbcm_read_flush(socket); gbd = gbd; socket = socket; hsin = hsin; sin = sin; GB_ERROR error = GB_system(comm); if (error) { GB_warning(error); return GBCM_SERVER_FAULT; } if (gbcm_write_two(socket,GBCM_COMMAND_SYSTEM_RETURN,0)){ return GBCM_SERVER_FAULT; } if (gbcm_write_flush(socket)){ return GBCM_SERVER_FAULT; } return GBCM_SERVER_OK; } /************************************************************************************** gbcms_talking_undo GBCM_COMMAND_UNDO ***************************************************************************************/ int gbcms_talking_undo(int socket,long *hsin,void *sin,GBDATA *gbd) { long cmd; GB_ERROR result = 0; char *to_free = 0; if (gbcm_read_two(socket, GBCM_COMMAND_UNDO_CMD,0,&cmd)){ return GBCM_SERVER_FAULT; } gbcm_read_flush(socket); hsin = hsin; sin = sin; switch (cmd) { case _GBCMC_UNDOCOM_REQUEST_NOUNDO: result = GB_request_undo_type(gbd, GB_UNDO_NONE); break; case _GBCMC_UNDOCOM_REQUEST_NOUNDO_KILL: result = GB_request_undo_type(gbd, GB_UNDO_KILL); break; case _GBCMC_UNDOCOM_REQUEST_UNDO: result = GB_request_undo_type(gbd, GB_UNDO_UNDO); break; case _GBCMC_UNDOCOM_INFO_UNDO: result = to_free = GB_undo_info(gbd, GB_UNDO_UNDO); break; case _GBCMC_UNDOCOM_INFO_REDO: result = to_free = GB_undo_info(gbd, GB_UNDO_REDO); break; case _GBCMC_UNDOCOM_UNDO: result = GB_undo(gbd,GB_UNDO_UNDO); break; case _GBCMC_UNDOCOM_REDO: result = GB_undo(gbd,GB_UNDO_REDO); break; default: result = GB_set_undo_mem(gbd,cmd); } if (gbcm_write_string(socket,result)){ if (to_free) free(to_free); return GBCM_SERVER_FAULT; } if (to_free) free(to_free); if (gbcm_write_flush(socket)){ return GBCM_SERVER_FAULT; } return GBCM_SERVER_OK; } /************************************************************************************** do a query in the server GBCM_COMMAND_FIND ***************************************************************************************/ int gbcms_talking_find(int socket, long *hsin, void *sin, GBDATA * gbd) { GB_ERROR error; char *key; char *val1 = 0; GB_CASE case_sens = GB_CASE_UNDEFINED; long val2 = 0; GB_TYPES type; void *buffer[2]; struct Hs_struct *hs = (struct Hs_struct *) hsin; GBUSE(hs);GBUSE(sin); if ( (error = gbcm_test_address((long *) gbd, GBTUM_MAGIC_NUMBER)) ) { GB_export_errorf("address %p not valid 8734", gbd); GB_print_error(); return GBCM_SERVER_FAULT; } key = gbcm_read_string(socket); type = gbcm_read_long(socket); switch (type) { case GB_NONE: break; case GB_STRING: val1 = gbcm_read_string(socket); case_sens = gbcm_read_long(socket);; break; case GB_INT: val2 = gbcm_read_long(socket); break; default: gb_assert(0); GB_export_errorf("gbcms_talking_find: illegal data type (%i)", type); GB_print_error(); return GBCM_SERVER_FAULT; } { enum gb_search_types gbs = gbcm_read_long(socket); gbcm_read_flush(socket); if (type == GB_NONE) { gbd = GB_find(gbd, key, gbs); } else if (type == GB_STRING) { gbd = GB_find_string(gbd, key, val1, case_sens, gbs); free(val1); } else if (type == GB_INT) { gbd = GB_find_int(gbd, key, val2, gbs); } else { GB_internal_errorf("Searching DBtype %i not implemented", type); } } free(key); if (gbcm_write_two(socket, GBCM_COMMAND_FIND_ERG, (long) gbd)) { return GBCM_SERVER_FAULT; } if (gbd) { while (GB_GRANDPA(gbd)) { buffer[0] = (void *)gbd->index; buffer[1] = (void *)GB_FATHER(gbd); gbcm_write(socket, (const char *) buffer, sizeof(long) * 2 ); gbd = (GBDATA *)GB_FATHER(gbd); } } buffer[0] = NULL; buffer[1] = NULL; gbcm_write(socket, (const char *) buffer, sizeof(long) * 2); if (gbcm_write_flush(socket)) { return GBCM_SERVER_FAULT; } return 0; } /************************************************************************************** do a query in the server GBCM_COMMAND_KEY_ALLOC ***************************************************************************************/ int gbcms_talking_key_alloc(int socket, long *hsin, void *sin, GBDATA * gbd) { GB_ERROR error; char *key; long index; struct Hs_struct *hs = (struct Hs_struct *) hsin; GBUSE(hs);GBUSE(sin); if ( (error = gbcm_test_address((long *) gbd, GBTUM_MAGIC_NUMBER))) { GB_export_errorf("address %p not valid 8734", gbd); GB_print_error(); return GBCM_SERVER_FAULT; } key = gbcm_read_string(socket); gbcm_read_flush(socket); if (key) index = gb_create_key(GB_MAIN(gbd),key,GB_FALSE); else index = 0; if (key) free(key); if (gbcm_write_two(socket, GBCM_COMMAND_KEY_ALLOC_RES, index)) { return GBCM_SERVER_FAULT; } if (gbcm_write_flush(socket)) { return GBCM_SERVER_FAULT; } return GBCM_SERVER_OK; } int gbcms_talking_disable_wait_for_new_request(int socket, long *hsin, void *sin, GBDATA *gbd){ struct Hs_struct *hs = (struct Hs_struct *) hsin; GBUSE(socket); GBUSE(sin); GBUSE(gbd); hs->wait_for_new_request--; return GBCM_SERVER_OK_WAIT; } /************************************************************************************** server talking ***************************************************************************************/ #ifdef __cplusplus extern "C" { #endif static int (*(aisc_talking_functions[]))(int,long *,void *,GBDATA *) = { gbcms_talking_unfold, /* GBCM_COMMAND_UNFOLD */ gbcms_talking_get_update, /* GBCM_COMMAND_GET_UPDATA */ gbcms_talking_put_update, /* GBCM_COMMAND_PUT_UPDATE */ gbcms_talking_updated, /* GBCM_COMMAND_UPDATED */ ( int (*)(int , long *, void *, GBDATA*) )gbcms_talking_begin_transaction, /* GBCM_COMMAND_BEGIN_TRANSACTION */ gbcms_talking_commit_transaction, /* GBCM_COMMAND_COMMIT_TRANSACTION */ gbcms_talking_abort_transaction, /* GBCM_COMMAND_ABORT_TRANSACTION */ gbcms_talking_init_transaction, /* GBCM_COMMAND_INIT_TRANSACTION */ gbcms_talking_find, /* GBCM_COMMAND_FIND */ gbcms_talking_close, /* GBCM_COMMAND_CLOSE */ gbcms_talking_system, /* GBCM_COMMAND_SYSTEM */ gbcms_talking_key_alloc, /* GBCM_COMMAND_KEY_ALLOC */ gbcms_talking_undo, /* GBCM_COMMAND_UNDO */ gbcms_talking_disable_wait_for_new_request /* GBCM_COMMAND_DONT_WAIT */ }; #ifdef __cplusplus } #endif int gbcms_talking(int con,long *hs, void *sin) { long buf[3]; long len,error; long magic_number; gbcm_read_flush(con); next_command: len = gbcm_read(con, (char *)buf, sizeof(long) * 3); if (len == sizeof(long) * 3) { magic_number = buf[0]; if ((magic_number & GBTUM_MAGIC_NUMBER_FILTER) != GBTUM_MAGIC_NUMBER) { gbcm_read_flush(con); fprintf(stderr,"Illegal Access\n"); return GBCM_SERVER_FAULT; } magic_number &= ~GBTUM_MAGIC_NUMBER_FILTER; error = (aisc_talking_functions[magic_number])(con,hs,sin,(GBDATA *)buf[2]); if (error == GBCM_SERVER_OK_WAIT){ goto next_command; } gbcm_read_flush(con); if (!error) { buf[0] = GBCM_SERVER_OK; return GBCM_SERVER_OK; } else { buf[0] = GBCM_SERVER_FAULT; return error; } } else { return GBCM_SERVER_FAULT; } } GB_BOOL GBCMS_accept_calls(GBDATA *gbd,GB_BOOL wait_extra_time) /* returns GB_TRUE if served */ { struct Hs_struct *hs; int con; long anz, i, error = 0; struct Socinf *si, *si_last, *sinext, *sptr; fd_set set,setex; struct timeval timeout; GB_MAIN_TYPE *Main = GB_MAIN(gbd); long in_trans = GB_read_transaction(gbd); if (!Main->server_data) return GB_FALSE; if (in_trans) return GB_FALSE; if (!Main->server_data) return GB_FALSE; hs = (struct Hs_struct *)Main->server_data; if (wait_extra_time){ timeout.tv_sec = 0; timeout.tv_usec = 100000; }else{ timeout.tv_sec = (int)(hs->timeout / 1000); timeout.tv_usec = (hs->timeout % 1000) * 1000; } if (wait_extra_time){ hs->wait_for_new_request = 1; }else{ hs->wait_for_new_request = 0; } { FD_ZERO(&set); FD_ZERO(&setex); FD_SET(hs->hso,&set); FD_SET(hs->hso,&setex); for(si=hs->soci, i=1; si; si=si->next, i++) { FD_SET(si->socket,&set); FD_SET(si->socket,&setex); } if ( hs->timeout>=0) { anz = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,FD_SET_TYPE &setex,&timeout); }else{ anz = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,FD_SET_TYPE &setex,0); } if(anz==-1){ /*printf("ERROR: poll in aisc_accept_calls %i\n",errno);*/ return GB_FALSE; } if(!anz){ /* timed out */ return GB_FALSE; } if(FD_ISSET(hs->hso,&set)){ con = accept(hs->hso,NULL,0); if(con>0){ long optval[1]; sptr = (struct Socinf *)GB_calloc(sizeof(struct Socinf),1); if(!sptr) return 0; sptr->next = hs->soci; sptr->socket = con; hs->soci=sptr; hs->nsoc++; optval[0] = 1; setsockopt(con,IPPROTO_TCP,TCP_NODELAY,(char *)optval,4); } }else{ si_last = 0; for(si=hs->soci; si; si_last=si, si=sinext){ sinext = si->next; if (FD_ISSET(si->socket,&set)){ error = gbcms_talking(si->socket,(long *)hs,(void *)si); if( GBCM_SERVER_OK == error){ hs->wait_for_new_request ++; continue; } }else if (!FD_ISSET(si->socket,&setex)) continue; /** kill socket **/ if(close(si->socket)){ printf("aisc_accept_calls: "); printf("couldn't close socket errno = %i!\n",errno); } hs->nsoc--; if(si==hs->soci){ /* first one */ hs->soci = si->next; }else{ si_last->next = si->next; } if (si->username){ gbcm_logout((GBCONTAINER *)hs->gb_main,si->username); } g_bcms_delete_Socinf(si); si = 0; if (error != GBCM_SERVER_ABORTED) { fprintf(stdout,"ARB_DB_SERVER: a client died abnormally\n"); } break; } } } /* while main loop */ if (hs->wait_for_new_request>0){ return GB_TRUE; } return GB_FALSE; } /************************************************************************************** write an entry ***************************************************************************************/ GB_ERROR gbcm_write_bin(int socket,GBDATA *gbd, long *buffer, long mode, long deep, int send_headera) /* mode =1 server =0 client */ /* send a database item to client/server buffer = buffer deep = 0 -> just send one item >0 send sub entries too send_headera = 1 -> if type = GB_DB send flag and key_quark array */ { GBCONTAINER *gbc; long i; buffer[0] = GBCM_COMMAND_SEND; i = 2; buffer[i++] = (long)gbd; buffer[i++] = gbd->index; *(struct gb_flag_types *)(&buffer[i++]) = gbd->flags; if (GB_TYPE(gbd) == GB_DB) { int end; int index; gbc = (GBCONTAINER *)gbd; end = gbc->d.nheader; *(struct gb_flag_types3 *)(&buffer[i++]) = gbc->flags3; if (send_headera) { buffer[i++] = end; }else{ buffer[i++] = -1; } if (deep){ buffer[i++] = gbc->d.size; }else{ buffer[i++] = -1; } buffer[1] = i; if (gbcm_write(socket,(const char *)buffer,i* sizeof(long))) { return GB_export_error("ARB_DB WRITE TO SOCKET FAILED"); } if (send_headera) { struct gb_header_list_struct *hdl = GB_DATA_LIST_HEADER(gbc->d); struct gb_header_flags *buf2 = (struct gb_header_flags *)GB_give_buffer2(gbc->d.nheader * sizeof(struct gb_header_flags)); for (index = 0; index < end; index++) { buf2[index] = hdl[index].flags; } if (gbcm_write(socket,(const char *)buf2,end* sizeof(struct gb_header_flags))) { return GB_export_error("ARB_DB WRITE TO SOCKET FAILED"); } } if (deep) { GBDATA *gb2; GB_ERROR error; debug_printf("%i ",gbc->d.size); for (index = 0; index < end; index++) { if (( gb2 = GBCONTAINER_ELEM(gbc,index) )) { debug_printf("%i ",index); error = gbcm_write_bin(socket,gb2, (long *)buffer,mode,deep-1,send_headera); if (error) return error; } } debug_printf("\n",0); } }else if ((unsigned int)GB_TYPE(gbd) < (unsigned int)GB_BITS) { buffer[i++] = gbd->info.i; buffer[1] = i; if (gbcm_write(socket,(const char *)buffer,i*sizeof(long))) { return GB_export_error("ARB_DB WRITE TO SOCKET FAILED"); } }else{ long memsize; buffer[i++] = GB_GETSIZE(gbd); memsize = buffer[i++] = GB_GETMEMSIZE(gbd); buffer[1] = i; if (gbcm_write(socket,(const char *)buffer,i* sizeof(long))) { return GB_export_error("ARB_DB WRITE TO SOCKET FAILED"); } if (gbcm_write(socket,GB_GETDATA(gbd), memsize)){ return GB_export_error("ARB_DB WRITE TO SOCKET FAILED"); } } return 0; } /************************************************************************************** read an entry into gbd ***************************************************************************************/ long gbcm_read_bin(int socket,GBCONTAINER *gbd, long *buffer, long mode, GBDATA *gb_source,void *cs_main) /* mode == 1 server reads data */ /* mode == 0 client read all data */ /* mode == -1 client read but do not read subobjects -> folded cont */ /* mode == -2 client dummy read */ { GBDATA *gb2; long index_pos; long size; long id; long i; int type; struct gb_flag_types flags; struct gb_flag_types3 flags3; size = gbcm_read(socket, (char *)buffer, sizeof(long) * 3); if (size != sizeof(long) * 3) { fprintf(stderr, "receive failed header size\n"); return GBCM_SERVER_FAULT; } if (buffer[0] != GBCM_COMMAND_SEND) { fprintf(stderr, "receive failed wrong command\n"); return GBCM_SERVER_FAULT; } id = buffer[2]; i = buffer[1]; i = sizeof(long) * (i - 3); size = gbcm_read(socket, (char *)buffer, i); if (size != i) { GB_internal_error("receive failed DB_NODE\n"); return GBCM_SERVER_FAULT; } i = 0; index_pos = buffer[i++]; if (!gb_source && gbd && index_posd.nheader ) { gb_source = GBCONTAINER_ELEM(gbd,index_pos); } flags = *(struct gb_flag_types *)(&buffer[i++]); type = flags.type; if (mode >= -1) { /* real read data */ if (gb_source) { int types = GB_TYPE(gb_source); gb2 = gb_source; if (types != type) { GB_internal_error("Type changed in client: Connection aborted\n"); return GBCM_SERVER_FAULT; } if (mode>0) { /* transactions only in server */ if (gbcm_test_address((long *) gb2, GBTUM_MAGIC_NUMBER)) { return GBCM_SERVER_FAULT; } } if (types != GB_DB) { gb_save_extern_data_in_ts(gb2); } gb_touch_entry(gb2, gb_changed); } else { if (mode==-1) goto dont_create_in_a_folded_container; if (type == GB_DB) { gb2 = (GBDATA *)gb_make_container(gbd, 0, index_pos, GB_DATA_LIST_HEADER(gbd->d)[index_pos].flags.key_quark); }else{ /* @@@ Header Transaction stimmt nicht */ gb2 = gb_make_entry(gbd, 0, index_pos, GB_DATA_LIST_HEADER(gbd->d)[index_pos].flags.key_quark,(GB_TYPES)type); } if (mode>0){ /* transaction only in server */ gb_touch_entry(gb2,gb_created); }else{ gb2->server_id = id; GBS_write_hashi(GB_MAIN(gb2)->remote_hash, id, (long) gb2); } if (cs_main) { struct gbcms_create_struct *cs; cs = (struct gbcms_create_struct *) GB_calloc(sizeof(struct gbcms_create_struct), 1); cs->next = *((struct gbcms_create_struct **) cs_main); *((struct gbcms_create_struct **) cs_main) = cs; cs->server_id = gb2; cs->client_id = (GBDATA *) id; } } gb2->flags = flags; if (type == GB_DB) { ((GBCONTAINER *)gb2)->flags3 = *((struct gb_flag_types3 *)&(buffer[i++])); } } else { dont_create_in_a_folded_container: if (type == GB_DB) { flags3 = *((struct gb_flag_types3 *)&(buffer[i++])); } gb2 = 0; } if (type == GB_DB) { long nitems; long nheader; long item,irror; nheader = buffer[i++]; nitems = buffer[i++]; if (nheader > 0) { long realsize = nheader* sizeof(struct gb_header_flags); struct gb_header_flags *buffer2; buffer2 = (struct gb_header_flags *)GB_give_buffer2(realsize); size = gbcm_read(socket, (char *)buffer2, realsize); if (size != realsize) { GB_internal_error("receive failed data\n"); return GBCM_SERVER_FAULT; } if (gb2 && mode >= -1) { GBCONTAINER *gbc = (GBCONTAINER*)gb2; struct gb_header_list_struct *hdl; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbc); gb_create_header_array(gbc,(int)nheader); if (nheader < gbc->d.nheader) { GB_internal_error("Inconsistency Client-Server Cache"); } gbc->d.nheader = (int)nheader; hdl = GB_DATA_LIST_HEADER(gbc->d); for (item = 0; item < nheader; item++) { int old_index = hdl->flags.key_quark; int new_index = buffer2->key_quark; if (new_index && !old_index ) { /* a rename ... */ gb_write_index_key(gbc,item,new_index); } if (mode>0) { /* server read data */ }else{ if ((int)buffer2->changed >= gb_deleted) { hdl->flags.changed = gb_deleted; hdl->flags.ever_changed = 1; } } hdl->flags.flags = buffer2->flags; hdl++; buffer2++; } if (mode>0){ /* transaction only in server */ gb_touch_header(gbc); }else{ gbc->header_update_date = Main->clock; } } } if (nitems >= 0) { long newmod = mode; if (mode>=0){ if (mode==0 && nitems<=1 ) { /* only a partial send */ gb2->flags2.folded_container = 1; } }else{ newmod = -2; } debug_printf("Client %i \n",nheader); for (item = 0; item < nitems; item++) { debug_printf(" Client reading %i\n",item); irror = gbcm_read_bin(socket, (GBCONTAINER *)gb2, buffer, newmod,0,cs_main); if (irror) { return GBCM_SERVER_FAULT; } } debug_printf("Client done\n",0); } else { if ((mode==0) && !gb_source){ /* created GBDATA at client */ gb2->flags2.folded_container = 1; } } } else if (type < GB_BITS) { if (mode >=0) gb2->info.i = buffer[i++]; } else { if (mode >=0) { long realsize = buffer[i++]; long memsize = buffer[i++]; char *data; /* GB_FREEDATA(gb2); */ GB_INDEX_CHECK_OUT(gb2); assert_or_exit(!(gb2->flags2.extern_data && GB_EXTERN_DATA_DATA(gb2->info.ex))); if (GB_CHECKINTERN(realsize,memsize)) { GB_SETINTERN(gb2); data = GB_GETDATA(gb2); }else{ GB_SETEXTERN(gb2); data = gbm_get_mem((size_t)memsize,GB_GBM_INDEX(gb2)); } size = gbcm_read(socket, data, memsize); if (size != memsize) { fprintf(stderr, "receive failed data\n"); return GBCM_SERVER_FAULT; } GB_SETSMD(gb2,realsize,memsize,data); } else { /* dummy read (e.g. updata in server && not cached in client */ long memsize; char *buffer2; i++; memsize = buffer[i++]; buffer2 = GB_give_buffer2(memsize); size = gbcm_read(socket, buffer2, memsize); if (size != memsize) { GB_internal_error("receive failed data\n"); return GBCM_SERVER_FAULT; } } } return GBCM_SERVER_OK; } /************************************************************************************** unfold client ***************************************************************************************/ GB_ERROR gbcm_unfold_client(GBCONTAINER *gbd, long deep, long index_pos) /* read data from a server deep = -1 read whole data deep = 0...n read to deep index_pos == -1 read all clients index_pos == -2 read all clients + header array */ { int socket; long buffer[256]; long nitems[1]; long item; long irror=0; socket = GBCONTAINER_MAIN(gbd)->c_link->socket; gbcm_read_flush(socket); if (gbcm_write_two(socket,GBCM_COMMAND_UNFOLD,gbd->server_id)){ return GB_export_error("Cannot send data to Server"); } if (gbcm_write_two(socket,GBCM_COMMAND_SETDEEP,deep)){ return GB_export_error("Cannot send data to Server"); } if (gbcm_write_two(socket,GBCM_COMMAND_SETINDEX,index_pos)){ return GB_export_error("Cannot send data to Server"); } if (gbcm_write_flush(socket)){ return GB_export_error("Cannot send data to Server"); } if (index_pos == -2){ irror = gbcm_read_bin(socket,0,buffer,0,(GBDATA*)gbd,0); }else{ if (gbcm_read_two(socket,GBCM_COMMAND_SEND_COUNT,0,nitems)) { irror = 1; }else{ for (item=0;itemflags2.folded_container = 0; } return 0; } /************************************************************************************** send update to server CLIENT FUNCTIONS ***************************************************************************************/ GB_ERROR gbcmc_begin_sendupdate(GBDATA *gbd) { if (gbcm_write_two(GB_MAIN(gbd)->c_link->socket,GBCM_COMMAND_PUT_UPDATE,gbd->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } return 0; } GB_ERROR gbcmc_end_sendupdate(GBDATA *gbd) { long buffer[2]; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_PUT_UPDATE_END,gbd->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } gbcm_write_flush(socket); while (1) { if (gbcm_read(socket,(char *)&(buffer[0]),sizeof(long)*2) != sizeof(long)*2){ return GB_export_error("ARB_DB READ ON SOCKET FAILED"); } gbd = (GBDATA *)buffer[0]; if (!gbd) break; gbd->server_id = buffer[1]; GBS_write_hashi(Main->remote_hash,gbd->server_id,(long)gbd); } gbcm_read_flush(socket); return 0; } GB_ERROR gbcmc_sendupdate_create(GBDATA *gbd) { long *buffer; GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket = Main->c_link->socket; GBCONTAINER *father = GB_FATHER(gbd); if (!father) return GB_export_errorf("internal error #2453:%s",GB_KEY(gbd)); if (gbcm_write_two(socket,GBCM_COMMAND_PUT_UPDATE_CREATE,father->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } buffer = (long *)GB_give_buffer(1014); error = gbcm_write_bin(socket,gbd,buffer,0,-1,1); if (error) return error; return 0; } GB_ERROR gbcmc_sendupdate_delete(GBDATA *gbd) { if (gbcm_write_two( GB_MAIN(gbd)->c_link->socket, GBCM_COMMAND_PUT_UPDATE_DELETE, gbd->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); }else{ return 0; } } GB_ERROR gbcmc_sendupdate_update(GBDATA *gbd, int send_headera) { long *buffer; GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (!GB_FATHER(gbd)) return GB_export_errorf("internal error #2453 %s",GB_KEY(gbd)); if (gbcm_write_two(Main->c_link->socket,GBCM_COMMAND_PUT_UPDATE_UPDATE,gbd->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } buffer = (long *)GB_give_buffer(1016); error = gbcm_write_bin(Main->c_link->socket,gbd,buffer,0,0,send_headera); if (error) return error; return 0; } GB_ERROR gbcmc_read_keys(int socket,GBDATA *gbd){ long size; int i; GB_MAIN_TYPE *Main = GB_MAIN(gbd); char *key; long buffer[2]; if (gbcm_read(socket,(char *)buffer,sizeof(long)*2) != sizeof(long)*2) { return GB_export_error("ARB_DB CLIENT ERROR receive failed 6336"); } size = buffer[0]; Main->first_free_key = buffer[1]; gb_create_key_array(Main,(int)size); for (i=1;ikeys[i].nref = buffer[0]; /* to control malloc_index */ Main->keys[i].next_free_key = buffer[1]; /* to control malloc_index */ key = gbcm_read_string(socket); if (key) { GBS_write_hash(Main->key_2_index_hash,key,i); if (Main->keys[i].key) free ( Main->keys[i].key ); Main->keys[i].key = key; } } Main->keycnt = (int)size; return 0; } GB_ERROR gbcmc_begin_transaction(GBDATA *gbd) { long *buffer; long clock[1]; GBDATA *gb2; long d; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket = Main->c_link->socket; long mode; GB_ERROR error; buffer = (long *)GB_give_buffer(1026); if (gbcm_write_two(Main->c_link->socket,GBCM_COMMAND_BEGIN_TRANSACTION,Main->clock) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } if (gbcm_write_flush(socket)) { return GB_export_error("ARB_DB CLIENT ERROR send failed 1626"); } if (gbcm_read_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0,clock)){ return GB_export_error("ARB_DB CLIENT ERROR receive failed 3656"); }; Main->clock = clock[0]; while (1){ if (gbcm_read(socket,(char *)buffer,sizeof(long)*2) != sizeof(long)*2) { return GB_export_error("ARB_DB CLIENT ERROR receive failed 6435"); } d = buffer[1]; gb2 = (GBDATA *)GBS_read_hashi(Main->remote_hash,d); if (gb2){ if (gb2->flags2.folded_container) { mode =-1; /* read container */ }else{ mode = 0; /* read all */ } }else{ mode = -2; /* read nothing */ } switch(buffer[0]) { case GBCM_COMMAND_PUT_UPDATE_UPDATE: if (gbcm_read_bin(socket,0,buffer, mode,gb2,0)){ return GB_export_error("ARB_DB CLIENT ERROR receive failed 2456"); } if (gb2 ){ GB_CREATE_EXT(gb2); gb2->ext->update_date = clock[0]; } break; case GBCM_COMMAND_PUT_UPDATE_CREATE: if (gbcm_read_bin(socket, (GBCONTAINER *)gb2, buffer, mode, 0, 0)) { return GB_export_error("ARB_DB CLIENT ERROR receive failed 4236"); } if (gb2 ) { GB_CREATE_EXT(gb2); gb2->ext->creation_date = gb2->ext->update_date = clock[0]; } break; case GBCM_COMMAND_PUT_UPDATE_DELETE: if (gb2) gb_delete_entry(&gb2); break; case GBCM_COMMAND_PUT_UPDATE_KEYS: error = gbcmc_read_keys(socket,gbd); if (error) return error; break; case GBCM_COMMAND_PUT_UPDATE_END: goto endof_gbcmc_begin_transaction; default: return GB_export_error("ARB_DB CLIENT ERROR receive failed 6574"); } } endof_gbcmc_begin_transaction: gbcm_read_flush(socket); return 0; } GB_ERROR gbcmc_init_transaction(GBCONTAINER *gbd) { long clock[1]; long buffer[4]; GB_ERROR error = 0; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbd); int socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_INIT_TRANSACTION,Main->clock) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY((GBDATA*)gbd)); } gbcm_write_string(socket,Main->this_user->username); if (gbcm_write_flush(socket)) { return GB_export_error("ARB_DB CLIENT ERROR send failed 1426"); } if (gbcm_read_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0,clock)){ return GB_export_error("ARB_DB CLIENT ERROR receive failed 3456"); }; Main->clock = clock[0]; if (gbcm_read_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0,buffer)){ return GB_export_error("ARB_DB CLIENT ERROR receive failed 3654"); }; gbd->server_id = buffer[0]; if (gbcm_read_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0,buffer)){ return GB_export_error("ARB_DB CLIENT ERROR receive failed 3654"); }; Main->this_user->userid = (int)buffer[0]; Main->this_user->userbit = 1<<((int)buffer[0]); GBS_write_hashi(Main->remote_hash,gbd->server_id,(long)gbd); if (gbcm_read(socket,(char *)buffer, 2 * sizeof(long)) != 2 * sizeof(long)) { return GB_export_error("ARB_DB CLIENT ERROR receive failed 2336"); } error = gbcmc_read_keys(socket,(GBDATA *)gbd); if (error) return error; gbcm_read_flush(socket); return 0; } GB_ERROR gbcmc_commit_transaction(GBDATA *gbd) { long dummy[1]; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_COMMIT_TRANSACTION,gbd->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } if (gbcm_write_flush(socket)) { return GB_export_error("ARB_DB CLIENT ERROR send failed"); } gbcm_read_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0,dummy); gbcm_read_flush(socket); return 0; } GB_ERROR gbcmc_abort_transaction(GBDATA *gbd) { long dummy[1]; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_ABORT_TRANSACTION,gbd->server_id) ) { return GB_export_errorf("Cannot send '%s' to server",GB_KEY(gbd)); } if (gbcm_write_flush(socket)) { return GB_export_error("ARB_DB CLIENT ERROR send failed"); } gbcm_read_two(socket,GBCM_COMMAND_TRANSACTION_RETURN,0,dummy); gbcm_read_flush(socket); return 0; } GB_ERROR gbcms_add_to_delete_list(GBDATA *gbd) { struct Hs_struct *hs; struct gbcms_delete_list *dl; GB_MAIN_TYPE *Main = GB_MAIN(gbd); hs = (struct Hs_struct *)Main->server_data; if (!hs) return 0; if (!hs->soci) return 0; dl = (struct gbcms_delete_list *)gbm_get_mem(sizeof(struct gbcms_delete_list),GBM_CB_INDEX); dl->creation_date = GB_GET_EXT_CREATION_DATE(gbd); dl->update_date = GB_GET_EXT_UPDATE_DATE(gbd); dl->gbd = gbd; if (!hs->del_first) { hs->del_first = hs->del_last = dl; }else{ hs->del_last->next = dl; hs->del_last = dl; } return 0; } /************************************************************************************** How many clients, returns -1 if not server ***************************************************************************************/ long GB_read_clients(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); long clients = -1; if (Main->local_mode) { /* i am the server */ struct Hs_struct *hs = (struct Hs_struct *)Main->server_data; clients = hs ? hs->nsoc : 0; } return clients; } GB_BOOL GB_is_server(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); return Main->local_mode; } GB_BOOL GB_is_client(GBDATA *gbd) { return !GB_is_server(gbd); } /************************************************************************************** Query in the server ***************************************************************************************/ GB_ERROR gbcmc_unfold_list(int socket, GBDATA * gbd) { long readvar[2]; GBCONTAINER *gb_client; GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (!gbcm_read(socket, (char *) readvar, sizeof(long) * 2 )) { return GB_export_error("receive failed"); } gb_client = (GBCONTAINER *) readvar[1]; if (gb_client) { error = gbcmc_unfold_list(socket, gbd); if (error) return error; gb_client = (GBCONTAINER *) GBS_read_hashi(Main->remote_hash, (long) gb_client); gb_unfold(gb_client, 0, (int)readvar[0]); } return 0; } GBDATA *GBCMC_find(GBDATA *gbd, const char *key, GB_TYPES type, const char *str, GB_CASE case_sens, enum gb_search_types gbs) { /* perform search in DB server (from DB client) */ union { GBDATA *gbd; long l; } result; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket; if (Main->local_mode) { gb_assert(0); // GBCMC_find may only be used in DB clients return (GBDATA *)-1; } socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_FIND,gbd->server_id)){ GB_export_error("Cannot send data to Server"); GB_print_error(); return 0; } gbcm_write_string(socket,key); gbcm_write_long(socket, type); switch (type) { case GB_NONE: break; case GB_STRING: gbcm_write_string(socket,str); gbcm_write_long(socket, case_sens); break; case GB_INT: gbcm_write_long(socket, *(long*)str); break; default : gb_assert(0); GB_export_errorf("GBCMC_find: Illegal data type (%i)", type); GB_print_error(); return 0; } gbcm_write_long(socket, gbs); if (gbcm_write_flush(socket)) { GB_export_error("ARB_DB CLIENT ERROR send failed"); GB_print_error(); return 0; } gbcm_read_two(socket, GBCM_COMMAND_FIND_ERG, 0, &result.l); if (result.gbd){ gbcmc_unfold_list(socket,gbd); result.l = GBS_read_hashi(Main->remote_hash, result.l); } gbcm_read_flush(socket); return result.gbd; } long gbcmc_key_alloc(GBDATA *gbd,const char *key) { long gb_result[1]; GB_MAIN_TYPE *Main = GB_MAIN(gbd); int socket; if (Main->local_mode) return 0; socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_KEY_ALLOC,gbd->server_id)){ GB_export_error("Cannot send data to Server"); GB_print_error(); return 0; } gbcm_write_string(socket,key); if (gbcm_write_flush(socket)) { GB_export_error("ARB_DB CLIENT ERROR send failed"); GB_print_error(); return 0; } gbcm_read_two(socket,GBCM_COMMAND_KEY_ALLOC_RES,0,gb_result); gbcm_read_flush(socket); return gb_result[0]; } int GBCMC_system(GBDATA *gbd,const char *ss) { int socket; long gb_result[2]; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->local_mode){ GB_ERROR error = GB_system(ss); if (error) GB_export_error(error); return error != 0; } socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_SYSTEM,gbd->server_id)){ GB_export_error("Cannot send data to Server"); GB_print_error(); return -1; } gbcm_write_string(socket,ss); if (gbcm_write_flush(socket)) { GB_export_error("ARB_DB CLIENT ERROR send failed"); GB_print_error(); return -1; } gbcm_read_two(socket,GBCM_COMMAND_SYSTEM_RETURN,0,(long *)gb_result); gbcm_read_flush(socket); return 0; } /** send an undo command !!! */ GB_ERROR gbcmc_send_undo_commands(GBDATA *gbd, enum gb_undo_commands command){ int socket; GB_ERROR result; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->local_mode) GB_internal_error("gbcmc_send_undo_commands: cannot call a server in a server"); socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_UNDO,gbd->server_id)){ return GB_export_error("Cannot send data to Server 456"); } if (gbcm_write_two(socket,GBCM_COMMAND_UNDO_CMD,command)){ return GB_export_error("Cannot send data to Server 96f"); } if (gbcm_write_flush(socket)) { return GB_export_error("Cannot send data to Server 536"); } result = gbcm_read_string(socket); gbcm_read_flush(socket); if (result) GB_export_errorf("%s",result); return result; } char *gbcmc_send_undo_info_commands(GBDATA *gbd, enum gb_undo_commands command){ int socket; char *result; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->local_mode){ GB_internal_error("gbcmc_send_undo_commands: cannot call a server in a server"); return 0; } socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_UNDO,gbd->server_id)){ GB_export_error("Cannot send data to Server 456"); return 0; } if (gbcm_write_two(socket,GBCM_COMMAND_UNDO_CMD,command)){ GB_export_error("Cannot send data to Server 96f"); return 0; } if (gbcm_write_flush(socket)) { GB_export_error("Cannot send data to Server 536"); return 0; } result = gbcm_read_string(socket); gbcm_read_flush(socket); return result; } GB_ERROR GB_tell_server_dont_wait(GBDATA *gbd){ int socket; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->local_mode){ return 0; } socket = Main->c_link->socket; if (gbcm_write_two(socket,GBCM_COMMAND_DONT_WAIT,gbd->server_id)){ GB_export_error("Cannot send data to Server 456"); return 0; } return 0; } /************************************************************************************** Login logout functions ***************************************************************************************/ GB_ERROR gbcm_login(GBCONTAINER *gb_main,const char *user) /* look for any free user and set this_user */ { int i; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gb_main); for (i = 0; iusers[i]) continue; if (!strcmp(user,Main->users[i]->username) ) { Main->this_user = Main->users[i]; Main->users[i]->nusers++; return 0; } } for (i = 0; iusers[i]) continue; Main->users[i] = (struct gb_user_struct *) GB_calloc(sizeof(struct gb_user_struct),1); Main->users[i]->username = strdup(user); Main->users[i]->userid = i; Main->users[i]->userbit = 1<users[i]->nusers = 1; Main->this_user = Main->users[i]; return 0; } return GB_export_errorf("Too many users in this database: User '%s' ",user); } long gbcmc_close(struct gbcmc_comm * link) { if (link->socket) { if (gbcm_write_two(link->socket, GBCM_COMMAND_CLOSE, 0)) { GB_export_error("Cannot send data to server"); GB_print_error(); return GBCM_SERVER_FAULT; } if (gbcm_write_flush(link->socket)) { GB_export_error("ARB_DB CLIENT ERROR send failed"); GB_print_error(); return GBCM_SERVER_FAULT; } close(link->socket); link->socket = 0; } if (link->unix_name) free(link->unix_name); /* @@@ */ free((char *)link); return 0; } GB_ERROR gbcm_logout(GBCONTAINER *gb_main,char *user) { long i; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gb_main); for (i = 0; iusers[i]) continue; if (!strcmp(user,Main->users[i]->username) ) { Main->users[i]->nusers--; if (Main->users[i]->nusers<=0) {/* kill user and his projects */ free(Main->users[i]->username); freeset(Main->users[i], NULL); fprintf(stdout,"The User %s has logged out\n",user); } return 0; } } return GB_export_errorf("User '%s' not logged in",user); } GB_CSTR GB_get_hostname(void){ static char *hn = 0; if (!hn){ char buffer[4096]; gethostname(buffer,4095); hn = strdup(buffer); } return hn; } GB_ERROR GB_install_pid(int mode) { /* tell the arb_clean script what programs are running. * mode == 1 -> install * mode == 0 -> never install */ static long lastpid = -1; GB_ERROR error = 0; if (mode == 0) { gb_assert(lastpid == -1); // you have to call GB_install_pid(0) before opening any database! lastpid = -25; // mark as "never install" } if (lastpid != -25) { long pid = getpid(); if (pid != lastpid) { // don't install pid multiple times char *pidfile_name; { const char *user = GB_getenvUSER(); const char *arb_pid = GB_getenv("ARB_PID"); // normally the pid of the 'arb' shell script gb_assert(user); if (!arb_pid) arb_pid = ""; pidfile_name = GBS_global_string_copy("arb_pids_%s_%s", user, arb_pid); } char *pid_fullname; FILE *pidfile = GB_fopen_tempfile(pidfile_name, "at", &pid_fullname); if (!pidfile) { error = GBS_global_string("GB_install_pid: %s", GB_await_error()); } else { fprintf(pidfile,"%li ", pid); lastpid = pid; // remember installed pid fclose(pidfile); } // ensure pid file is private, otherwise someone could inject PIDs which will be killed later gb_assert(GB_is_privatefile(pid_fullname, GB_FALSE)); free(pid_fullname); free(pidfile_name); } } return error; } const char *GB_date_string(void) { struct timeval date; struct tm *p; gettimeofday(&date, 0); #if defined(DARWIN) struct timespec local; TIMEVAL_TO_TIMESPEC(&date, &local); // not avail in time.h of Linux gcc 2.95.3 p = localtime(&local.tv_sec); #else p = localtime(&date.tv_sec); #endif // DARWIN char *readable = asctime(p); // points to a static buffer char *cr = strchr(readable, '\n'); gb_assert(cr); cr[0] = 0; // cut of \n return readable; } ./arbsrc_9167/ARBDB/adcompr.c0000644012664100000130000010245111440743000015536 0ustar arb_buildcoders#include #include /* #include */ #include #include #include #include "adlocal.h" /*#include "arbdb.h"*/ #include "arbdbt.h" /* sequence decompression */ #if defined(DEBUG) /* #define TEST_HUFFMAN_CODE */ #endif /* DEBUG */ /******************************************************************************************** GB uncompress procedures ********************************************************************************************/ #define GB_READ_BIT(p,c,bp,result) if (!bp) { c= *(p++);bp = 8;}; result = (c>>7); result &= 1; c <<=1; bp-- #define GB_INIT_WRITE_BITS(p,bp) *p = 0; bp = 8 #define GB_WRITE_BITS(p,bp,bitc,bits,i) \ if (bp<=0) { bp += 8; p++ ; *p = 0; } \ if ((i=bp-bitc)<0) { \ *p |= bits>>(-i); \ i += 8; \ bp += 8; p++; *p = 0; \ } \ *p |= bits<=0;_i--) { \ GB_READ_BIT(p,c,bp,_r); \ bits = (bits<<1) + _r; \ }} ATTRIBUTED(__ATTR__USERESULT, static GB_ERROR gb_check_huffmann_tree(struct gb_compress_tree *t)) { if (t->leave) return 0; if (!t->son[0]) return GB_export_error("Database entry corrupt (zero left son)"); if (!t->son[1]) return GB_export_error("Database entry corrupt (zero right son)"); { GB_ERROR err = gb_check_huffmann_tree(t->son[0]); if (err) return err; } return gb_check_huffmann_tree(t->son[1]); } #if defined(TEST_HUFFMAN_CODE) static void gb_dump_huffmann_tree(struct gb_compress_tree *t, const char *prefix) { if (t->leave) { long command = (long)t->son[1]; printf("%s", prefix); switch (command) { case gb_cs_end: printf(" [gb_cs_end]\n"); break; case gb_cs_id: printf(" [gb_cs_id]\n"); break; case gb_cs_ok: { long val = (long)t->son[0]; printf(": value=%li (='%c')\n", val, (char)val); break; } default: { long val = (long)t->son[0]; printf(" other command (%li) value=%li (='%c')\n", command, val, (char)val); break; } } /* printf("%s %lx %lx\n", prefix, (long)(t->son[0]), (long)(t->son[1])); */ } else { int len = strlen(prefix); char *my_prefix = malloc(len+2); strcpy(my_prefix, prefix); my_prefix[len+1] = 0; my_prefix[len] = '0'; gb_dump_huffmann_tree(t->son[0], my_prefix); my_prefix[len] = '1'; gb_dump_huffmann_tree(t->son[1], my_prefix); free(my_prefix); } } static void gb_dump_huffmann_list(struct gb_compress_list *bc, const char *prefix) { if (bc->command == gb_cd_node) { int len = strlen(prefix); char *my_prefix = malloc(len+2); strcpy(my_prefix, prefix); my_prefix[len+1] = 0; my_prefix[len] = '0'; gb_dump_huffmann_list(bc->son[0], my_prefix); my_prefix[len] = '1'; gb_dump_huffmann_list(bc->son[1], my_prefix); free(my_prefix); } else { /* printf("%s value=%i (='%c') bitcnt=%i bits=%x mask=%x count=%li\n", */ /* prefix, bc->value, (char)bc->value, bc->bitcnt, bc->bits, bc->mask, bc->count); */ printf("%s value=%i (='%c') count=%li\n", prefix, bc->value, (char)bc->value, bc->count); } } #endif /* TEST_HUFFMAN_CODE */ struct gb_compress_tree *gb_build_uncompress_tree(const unsigned char *data,long short_flag, char **end) { struct gb_compress_tree *Main,*t; long bits,mask,i; const unsigned char *p; GB_ERROR error; Main = (struct gb_compress_tree *)gbm_get_mem(sizeof(struct gb_compress_tree),GBM_CB_INDEX); for (p=data;*p;p+=3+short_flag) { bits = p[0]; mask = 0x80; for (i=7;i;i--,mask=mask>>1) if (mask & bits) break; /* find first bit */ if (!i){ GB_internal_error("Data corrupt"); return 0; } t = Main; for (;i;i--) { if (t->leave) { GB_export_error("Corrupt data !!!"); return 0; } mask = mask>>1; if (mask & bits) { if (!t->son[1]) { t->son[1] = (struct gb_compress_tree *)gbm_get_mem(sizeof(struct gb_compress_tree),GBM_CB_INDEX); } t=t->son[1]; }else{ if (!t->son[0]) { t->son[0] = (struct gb_compress_tree *)gbm_get_mem(sizeof(struct gb_compress_tree),GBM_CB_INDEX); } t=t->son[0]; } } if (t->leave) { GB_export_error("Corrupt data !!!"); return 0; } t->leave = 1; if (short_flag) { t->son[0] = (struct gb_compress_tree *)(long)((p[2]<<8)+p[3]); }else{ t->son[0] = (struct gb_compress_tree *)(long)(p[2]); } t->son[1] = (struct gb_compress_tree *)(long)p[1]; /* command */ } if (end) *end = ((char *)p)+1; if ( (error = gb_check_huffmann_tree(Main)) ) { GB_internal_errorf("%s",error); gb_free_compress_tree(Main); return 0; } #if defined(TEST_HUFFMAN_CODE) printf("Huffman tree:\n"); gb_dump_huffmann_tree(Main, ""); #endif /* TEST_HUFFMAN_CODE */ return Main; } void gb_free_compress_tree(struct gb_compress_tree *tree) { if (tree) { if (!tree->leave) { if (tree->son[0]) gb_free_compress_tree(tree->son[0]); if (tree->son[1])gb_free_compress_tree(tree->son[1]); } } gbm_free_mem((char *)tree,sizeof(struct gb_compress_tree),GBM_CB_INDEX); } /******************************************************************************************** GB compress procedures ********************************************************************************************/ struct gb_compress_list *gb_build_compress_list(const unsigned char *data,long short_flag,long *size) { struct gb_compress_list *list; int i,maxi,bitc; int val,bits,mask,value; const unsigned char *p; enum gb_compress_list_commands command = (enum gb_compress_list_commands)0; maxi = 0; val = bits = mask = value = bitc = 0; for (p=data;*p;p+=3+short_flag) { i = (p[2]); if (short_flag) { i = (i<<8)+p[3]; } if (i>maxi) maxi = i; } *size = maxi; list = (struct gb_compress_list *)GB_calloc(sizeof(struct gb_compress_list),(size_t)maxi+1); maxi = 0; val = -1; for (p=data;*p;p+=3+short_flag) { val = (p[2]); if (short_flag) val = (val<<8)+p[3]; for (i=maxi;i>1) if (mask & bits) break; /* find first bit */ mask = 0xff>>(8-bitc); bits = bits & mask; value = val; } i = val; list[i].command = command; list[i].mask = mask; list[i].bitcnt = bitc; list[i].bits = bits; list[i].value = value; return list; } /******************************************************************************************** Compress and uncompress bits ********************************************************************************************/ char *gb_compress_bits(const char *source, long size, const unsigned char *c_0, long *msize) { const unsigned char *s = (const unsigned char *)source; char *buffer = GB_give_other_buffer(source,size); char *dest = buffer; long i, j; int bitptr,bits, bitc; int zo_flag = 0; long len; int h_i,command; int isNull[256]; for (i = 0; i<256; ++i) isNull[i] = 0; for (i = 0; c_0[i]; ++i) isNull[c_0[i]] = 1; GB_INIT_WRITE_BITS(dest,bitptr); for (len = size, i = 0; len; len--) { if (zo_flag == isNull[*(s++)]) { zo_flag = 1 - zo_flag; for (command = gb_cs_sub; command != gb_cs_ok;) { if (i>gb_local->bc_size) j = gb_local->bc_size; else j = i; bits = gb_local->bitcompress[j].bits; bitc = gb_local->bitcompress[j].bitcnt; command = gb_local->bitcompress[j].command; i -= gb_local->bitcompress[j].value; GB_WRITE_BITS(dest, bitptr, bitc, bits, h_i); } i = 0; } i++; } for (command = gb_cs_sub; command != gb_cs_ok;) { if (i>gb_local->bc_size) j = gb_local->bc_size; else j = i; bits = gb_local->bitcompress[j].bits; bitc = gb_local->bitcompress[j].bitcnt; command = gb_local->bitcompress[j].command; i -= gb_local->bitcompress[j].value; GB_WRITE_BITS(dest, bitptr, bitc, bits, h_i); } *msize = dest - buffer + 1; return buffer; } GB_BUFFER gb_uncompress_bits(const char *source,long size, char c_0, char c_1) { const char *s; char *p,*buffer,ch = 0,outc; long bitp,lastpos,pos; struct gb_compress_tree *Main,*t; long command; Main = gb_local->bituncompress; bitp = 0; s = source; buffer = p = GB_give_other_buffer(source,size+1); outc = c_0; for (pos = 0;posleave;) { int bit; GB_READ_BIT(s,ch,bitp,bit); t = t->son[bit]; } command = (long) t->son[1]; pos += (long)t->son[0]; } for (;lastpos command == ndata follows -120 < command < 0 -> next byte is duplicated - command times -122 lowbyte highbyte next byte is duplicated lowbyte + 256*highbyte 0 end */ char *g_b_write_run(char *dest, int scount, int lastbyte){ while (scount> 0xffff) { *(dest++) = 0x100-122 ; *(dest++) = 0xff; *(dest++) = 0xff; *(dest++) = lastbyte; scount -= 0xffff; } if (scount >250){ *(dest++) = 0x100-122; *(dest++) = scount & 0xff; *(dest++) = (scount >>8) & 0xff; *(dest++) = lastbyte; return dest; } while (scount>120){ /* 120 blocks */ *(dest++) = 0x100 - 120; *(dest++) = lastbyte; scount -= 120; } if (scount) { /* and rest */ *(dest++) = -scount; *(dest++) = lastbyte; } return dest; } #define GB_COPY_NONRUN(dest,source,len) \ while (len > 120) { \ int _i = 120; \ char *_p; \ len -= _i; \ *(dest++) = _i; \ _p = dest; dest+=_i; \ while (_i--){ \ *(_p++) = *(source++); \ } \ } \ if (len >0 ) { \ int _i = len; \ char *_p; \ len = 0; \ *(dest++) = _i; \ _p = dest; dest+=_i; \ while (_i--){ \ *(_p++) = *(source++); \ } \ } void gb_compress_equal_bytes_2(const char *source, long size, long *msize, char *dest){ long i; /* length counter */ int last,rbyte; /* next and akt value */ long scount; /* same count; count equal bytes */ char *buffer = dest; const char *sourcenequal; /* begin of non equal section */ long hi; /* to temporary store i */ int hsize; sourcenequal = source; rbyte = *(source ++); last = -1; for (i=size-1; i;) { if (rbyte!=last){ /* Search an equal pair */ last = rbyte; rbyte = *(source ++);i--; continue; } /* last rbyte *(source) */ hi = i+1; while (i) { /* get equal bytes */ rbyte = *(source ++);i--; if (rbyte!=last) break; } scount = hi-i; /* number of equal bytes ; at end e.b.-1*/ if (scount <= GB_RUNLENGTH_SIZE ) continue; /* less than 4-> no runlength compression */ /* compression !!! 1. copy unequal bytes 2 fill rest */ hsize = source - sourcenequal - scount -1;/* hsize of non equal bytes */ source = sourcenequal; hi = i; /* i=unequal length */ GB_COPY_NONRUN(dest,source,hsize); dest = g_b_write_run(dest,scount,last); source += scount; /* now equal bytes */ sourcenequal = source++; /* no rbyte written yet */ last = rbyte; i = hi; if (i){ rbyte = *(source++);i--; } } /* for i */ /* and now rest which is not compressed */ hsize = source - sourcenequal; source = sourcenequal; GB_COPY_NONRUN(dest,source,hsize); *(dest++) = 0; /* end of data */ *msize = dest-buffer; if (*msize >size*9/8) printf("ssize %d, dsize %d\n",(int)size,(int)*msize); } GB_BUFFER gb_compress_equal_bytes(const char *source, long size, long *msize, int last_flag){ char *dest; /* destination pointer */ char *buffer; dest = buffer = GB_give_other_buffer(source,size*9/8); *(dest++) = GB_COMPRESSION_RUNLENGTH | last_flag; gb_compress_equal_bytes_2(source,size,msize,dest); (*msize) ++; /* Tag byte */ return buffer; } struct gb_compress_huffmann_struct { struct gb_compress_huffmann_struct *next; long val; struct gb_compress_list *element; } *gb_compress_huffmann_list = 0; void gb_compress_huffmann_add_to_list(long val, struct gb_compress_list *element) { struct gb_compress_huffmann_struct *dat,*search,*searchlast; dat = (struct gb_compress_huffmann_struct *)gbm_get_mem(sizeof(struct gb_compress_huffmann_struct),GBM_CB_INDEX); dat->val = val; dat->element = element; searchlast = 0; for (search = gb_compress_huffmann_list; search; search = search->next){ if (valval) break; searchlast = search; } if (gb_compress_huffmann_list){ if (searchlast) { dat->next = searchlast->next; searchlast->next = dat; }else{ dat->next = gb_compress_huffmann_list; gb_compress_huffmann_list = dat; } }else{ gb_compress_huffmann_list = dat; } } long gb_compress_huffmann_pop(long *val,struct gb_compress_list **element) { struct gb_compress_huffmann_struct *dat; if ( (dat = gb_compress_huffmann_list) ) { gb_compress_huffmann_list = dat->next; *val = dat->val; *element = dat->element; gbm_free_mem((char *)dat,sizeof(struct gb_compress_huffmann_struct),GBM_CB_INDEX); return 1; }else{ GB_internal_error("huffman compression failed"); return 0; } } char *gb_compress_huffmann_rek(struct gb_compress_list *bc,int bits,int bitcnt,char *dest) { if(bc->command == gb_cd_node) { dest = gb_compress_huffmann_rek(bc->son[0],(bits<<1),bitcnt+1,dest); dest = gb_compress_huffmann_rek(bc->son[1],(bits<<1)+1,bitcnt+1,dest); gbm_free_mem((char *)bc,sizeof(struct gb_compress_list),GBM_CB_INDEX); return dest; }else{ *(dest++) = bits; *(dest++) = bc->command; *(dest++) = bc->value; bc->bitcnt = bitcnt; bc->mask = 0xff>>(8-bitcnt); bc->bits = bits&bc->mask; return dest; } } GB_BUFFER gb_compress_huffmann(GB_CBUFFER source, long size, long *msize, int last_flag) { char *buffer; unsigned char *s; char *dest; int val,h_i, command; long id = 0,end, len; struct gb_compress_list bitcompress[257],*pbc; struct gb_compress_list *pbid; memset((char *)(&bitcompress[0]), 0, sizeof(struct gb_compress_list)*257); end = 256; dest = buffer = GB_give_other_buffer(source,size*2+3*GBTUM_COMPRESS_TREE_SIZE+1); *(dest++) = GB_COMPRESSION_HUFFMANN | last_flag; { long level; long i; long restcount; long vali[2] = {0, 0}; struct gb_compress_list *element1 = 0; struct gb_compress_list *element2 = 0; struct gb_compress_list *bc = 0; s = (unsigned char *)source; for (len = size; len; len--) { bitcompress[*(s++)].count++; } level = size/GBTUM_COMPRESS_TREE_SIZE; restcount = 0; for (i=0;i<256;i++) { bitcompress[i].value = (int)i; if (bitcompress[i].count>level) { gb_compress_huffmann_add_to_list(bitcompress[i].count, &bitcompress[i]); bitcompress[i].command = gb_cs_ok; } else { restcount+= bitcompress[i].count; bitcompress[i].count = 0; id = i; bitcompress[i].command = gb_cs_id; } } bitcompress[end].command = gb_cs_end; gb_compress_huffmann_add_to_list(restcount,&bitcompress[id]); gb_compress_huffmann_add_to_list(1,&bitcompress[end]); while (gb_compress_huffmann_list->next) { gb_compress_huffmann_pop(&(vali[0]),&element1); gb_compress_huffmann_pop(&(vali[1]),&element2); bc = (struct gb_compress_list *)gbm_get_mem(sizeof(struct gb_compress_list),GBM_CB_INDEX); bc->command = gb_cd_node; bc->son[0] = element1; bc->son[1] = element2; if (element1->command == gb_cd_node) { bc->bits = element1->bits+1; if (element2->command == gb_cd_node && element2->bits >= bc->bits) bc->bits = element2->bits+1; } else { if (element2->command == gb_cd_node) { bc->bits = element2->bits+1; } else { bc->bits = 1; } } gb_assert(bc->bits <= 7); // max. 7 bits allowed // if already 6 bits used -> put to end of list; otherwise sort in gb_compress_huffmann_add_to_list(bc->bits >= 6 ? LONG_MAX : vali[0]+vali[1], bc); } gb_compress_huffmann_pop(&(vali[0]),&element1); #if defined(TEST_HUFFMAN_CODE) printf("huffman list:\n"); gb_dump_huffmann_list(bc, ""); #endif /* TEST_HUFFMAN_CODE */ dest = gb_compress_huffmann_rek(bc,1,0,dest); *(dest++) = 0; } pbid = &bitcompress[id]; s = (unsigned char *)source; { int bitptr, bits, bitc; GB_INIT_WRITE_BITS(dest,bitptr); for (len = size; len; len--) { val = *(s++); command = bitcompress[val].command; if (command == gb_cs_ok) { pbc = &bitcompress[val]; bits = pbc->bits; bitc = pbc->bitcnt; GB_WRITE_BITS(dest, bitptr, bitc, bits, h_i); }else{ bits = pbid->bits; bitc = pbid->bitcnt; GB_WRITE_BITS(dest, bitptr, bitc, bits, h_i); bits = val; bitc = 8; GB_WRITE_BITS(dest, bitptr, bitc, bits, h_i); } } bits = bitcompress[end].bits; bitc = bitcompress[end].bitcnt; GB_WRITE_BITS(dest, bitptr, bitc, bits, h_i); } *msize = dest - buffer + 1; #if defined(TEST_HUFFMAN_CODE) printf("huffman compression %li -> %li (%5.2f %%)\n", size, *msize, (double)((double)(*msize)/size*100)); #endif /* TEST_HUFFMAN_CODE */ if (*msize >size*2) printf("ssize %d, size %d\n",(int)size,(int)*msize); return buffer; } /******************************************************************************************** Uncompress bytes ********************************************************************************************/ static GB_BUFFER gb_uncompress_equal_bytes(GB_CBUFFER s, long size, long *new_size) { const signed char *source = (signed char*)s; char *dest; unsigned int c; long j; long i,k; char *buffer; dest = buffer = GB_give_other_buffer((char *)source,size); #if defined(DEBUG) && 0 printf("gb_uncompress_equal_bytes(size=%li):\n", size); #endif /* DEBUG */ for (i=size;i;) { j = *(source++); #if defined(DEBUG) && 0 printf("size=%li (code=%i)\n", i, (int)j); #endif /* DEBUG */ if (j>0) { /* uncompressed data block */ if (j>i) j=i; i -= j; for (;j;j--) { *(dest++) = (char )(*(source++)); } }else{ /* equal bytes compressed */ if (!j) break; /* end symbol */ if (j== -122) { j = *(source++) & 0xff; j |= ((*(source++)) <<8) &0xff00; j = -j; } c = *(source++); i += j; if (i<0) { /* GB_internal_error("Internal Error: Missing end in data"); */ j += -i; i = 0; } if (j<-30){ /* set multiple bytes */ j = -j; if ( ((long)dest) & 1) { *(dest++) = c; j--; } if ( ((long)dest) &2){ *(dest++) = c; *(dest++) = c; j-=2; } c &= 0xff; /* copy c to upper bytes */ c |= (c<<8); c |= (c<<16); k = j&3; j = j>>2; for (;j;j--){ *((GB_UINT4 *)dest) = c; dest += sizeof(GB_UINT4); } j = k; for (;j;j--) *(dest++) = c; }else{ for (;j;j++) *(dest++) = c; } } } *new_size = dest-buffer; ad_assert(size >= *new_size); // buffer overflow return buffer; } static GB_BUFFER gb_uncompress_huffmann(GB_CBUFFER source, long maxsize, long *new_size) { struct gb_compress_tree *un_tree, *t; char *data[1]; char *p, *buffer; long bitp; char ch = 0, *s; long val,command; un_tree = gb_build_uncompress_tree((unsigned char *)source, 0, data); if (!un_tree) return 0; bitp = 0; buffer = p = GB_give_other_buffer(source,maxsize); s = data[0]; while(1) { for (t = un_tree; !t->leave;) { int bit; GB_READ_BIT(s,ch,bitp,bit); t = t->son[bit]; } command = (long) t->son[1]; if (command == gb_cs_end) break; if (command == gb_cs_id) { GB_READ_BITS(s, ch, bitp, 8, val); } else { val = (long) t->son[0]; } *(p++) = (int)val; } gb_free_compress_tree(un_tree); *new_size = p-buffer; ad_assert(maxsize >= *new_size); // buffer overflow return buffer; } GB_BUFFER gb_uncompress_bytes(GB_CBUFFER source, long size, long *new_size) { char *data = gb_uncompress_huffmann(source, size, new_size); if (data) data = gb_uncompress_equal_bytes(data, size, new_size); ad_assert(!data || size >= *new_size); // buffer overflow return data; } /******************************************************************************************** Compress long and floats (4 byte values) ********************************************************************************************/ GB_BUFFER gb_uncompress_longs_old(GB_CBUFFER source, long size, long *new_size) { /* size is byte value */ char *res = 0; char *data = gb_uncompress_huffmann(source, (size*9)/8, new_size); if (data) { char *p, *s0, *s1, *s2, *s3; GB_UINT4 mi, i; data = gb_uncompress_equal_bytes(data, size, new_size); ad_assert(*new_size == size); res = p = GB_give_other_buffer(data, size); ad_assert(sizeof(GB_UINT4) == 4); mi = (GB_UINT4)(size / 4); s0 = data + 0 * mi; s1 = data + 1 * mi; s2 = data + 2 * mi; s3 = data + 3 * mi; for (i = 0; i < mi; i++) { *(p++) = *(s0++); *(p++) = *(s1++); *(p++) = *(s2++); *(p++) = *(s3++); } *new_size = mi*4; } return res; } static GB_BUFFER gb_uncompress_longs(GB_CBUFFER data, long size, long *new_size) { const char *s0, *s1, *s2, *s3; char *p,*res; long mi, i; res = p = GB_give_other_buffer(data, size); ad_assert(sizeof(GB_UINT4) == 4); mi = size / 4; s0 = data + 0 * mi; s1 = data + 1 * mi; s2 = data + 2 * mi; s3 = data + 3 * mi; for (i = 0; i < mi; i++) { *(p++) = *(s0++); *(p++) = *(s1++); *(p++) = *(s2++); *(p++) = *(s3++); } *new_size = mi*4; return res; } GB_BUFFER gb_compress_longs(GB_CBUFFER source, long size, int last_flag){ long mi,i; const char *p; char *s0,*s1,*s2,*s3; char *dest = GB_give_other_buffer(source,size+1); mi = size/4; p = source; *(dest) = GB_COMPRESSION_SORTBYTES | last_flag; s0 = dest + 0*mi + 1; s1 = dest + 1*mi + 1; s2 = dest + 2*mi + 1; s3 = dest + 3*mi + 1; for (i=0;ikeys[key]; if (ks->gb_key_disabled) return 0; if (!ks->gb_key){ gb_load_single_key_data((GBDATA *)Main->data, key); if (Main->gb_key_data && !ks->gb_key){ GB_internal_error("Couldn't load gb_key"); } } return Main->keys[key].dictionary; } /********************** Overall Compression Algorithms **************************/ /**** Compresses a data string, returns 0 if no compression makes sense ****/ GB_BUFFER gb_compress_data(GBDATA *gbd, int key, GB_CBUFFER source, long size, long *msize, GB_COMPRESSION_MASK max_compr, GB_BOOL pre_compressed){ char *data; int last_flag = GB_COMPRESSION_LAST; if (pre_compressed){ last_flag = 0; } ad_assert(1); if (max_compr & GB_COMPRESSION_SORTBYTES){ source = gb_compress_longs(source,size,last_flag); last_flag = 0; size++; /* @@@ OLI */ }else if (max_compr & GB_COMPRESSION_DICTIONARY){ GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_DICTIONARY *dict; if (!key){ key = GB_KEY_QUARK(gbd); } dict = gb_get_dictionary(Main,key); if (dict) { long real_size = size-(GB_TYPE(gbd)==GB_STRING); /* for strings w/o trailing zero */ if (real_size) { data = gb_compress_by_dictionary(dict, source, real_size, msize,last_flag,9999,3); if ( (*msize<=10 && size>10) || *msize < size*7/8) { /* successfull compression */ source = data; size = *msize; last_flag = 0; } } } } if (max_compr & GB_COMPRESSION_RUNLENGTH && size > GB_RUNLENGTH_MIN_SIZE) { data = gb_compress_equal_bytes(source,size,msize,last_flag); if (*msize < size-10 && *msize < size*7/8){ /* successfull compression */ source = data; size = *msize; last_flag = 0; } } if (max_compr & GB_COMPRESSION_HUFFMANN && size > GB_HUFFMAN_MIN_SIZE) { data = gb_compress_huffmann(source,size,msize,last_flag); if (*msize < size-10 && *msize < size*7/8){ /* successfull compression */ source = data; size = *msize; last_flag = 0; } } *msize = size; if (last_flag) return 0; /* no compression */ return (char *)source; } GB_CBUFFER gb_uncompress_data(GBDATA *gbd, GB_CBUFFER source, long size){ int last = 0; const char *data = (char *)source; long new_size = -1; GB_ERROR error = 0; while (!last){ int c = *((unsigned char *)(data++)); if (c & GB_COMPRESSION_LAST) { last = 1; c &= ~GB_COMPRESSION_LAST; } if (c == GB_COMPRESSION_HUFFMANN) { data = gb_uncompress_huffmann(data,size + GB_COMPRESSION_TAGS_SIZE_MAX, &new_size); }else if (c == GB_COMPRESSION_RUNLENGTH) { data = gb_uncompress_equal_bytes(data,size + GB_COMPRESSION_TAGS_SIZE_MAX, &new_size); }else if (c == GB_COMPRESSION_DICTIONARY) { data = gb_uncompress_by_dictionary(gbd, data, size + GB_COMPRESSION_TAGS_SIZE_MAX, &new_size); }else if (c == GB_COMPRESSION_SEQUENCE) { data = gb_uncompress_by_sequence(gbd,data,size,&error, &new_size); }else if (c == GB_COMPRESSION_SORTBYTES) { data = gb_uncompress_longs(data,size, &new_size); }else{ error = GBS_global_string("Internal Error: Cannot uncompress data of field '%s'",GB_read_key_pntr(gbd)); } if (!data && !error) error = GB_await_error(); if (error) last = 1; // sth went wrong, stop } if (!error && new_size != size) { error = GBS_global_string("Wrong decompressed size (expected=%li, got=%li)", size, new_size); } if (error) { GB_export_error(error); data = 0; } return data; } GB_BOOL GB_is_directory_compressed(GBDATA *gbd) { int type = GB_TYPE(gbd); const char *data = GB_GETDATA(gbd); if (data) { if (gbd->flags.compressed_data) { long size = GB_UNCOMPRESSED_SIZE(gbd, type); int last = 0; GB_ERROR error = 0; long new_size = -1; // dummy while (!last){ int c = *((unsigned char *)(data++)); if (c & GB_COMPRESSION_LAST) { last = 1; c &= ~GB_COMPRESSION_LAST; } if (c == GB_COMPRESSION_DICTIONARY) { return GB_TRUE; } if (c == GB_COMPRESSION_HUFFMANN) { data = gb_uncompress_huffmann(data,size + GB_COMPRESSION_TAGS_SIZE_MAX, &new_size); } else if (c == GB_COMPRESSION_RUNLENGTH) { data = gb_uncompress_equal_bytes(data,size + GB_COMPRESSION_TAGS_SIZE_MAX, &new_size); } else if (c == GB_COMPRESSION_SEQUENCE) { data = gb_uncompress_by_sequence(gbd, data, size, &error, &new_size); } else if (c == GB_COMPRESSION_SORTBYTES) { data = gb_uncompress_longs(data, size, &new_size); } else{ error = GB_export_errorf("Internal Error: Cannot uncompress data of field '%s'",GB_read_key_pntr(gbd)); } if (error) { GB_internal_error(error); break; } } } } return GB_FALSE; } ./arbsrc_9167/ARBDB/ad_config.c0000644012664100000130000003002011440743000016012 0ustar arb_buildcoders/* ==================================================================== */ /* */ /* File : ad_config.c */ /* Purpose : handle editor configurations */ /* */ /* */ /* Coded by Ralf Westram (coder@reallysoft.de) in May 2005 */ /* Copyright Department of Microbiology (Technical University Munich) */ /* */ /* Visit our web site at: www.arb-home.de */ /* */ /* ==================================================================== */ #include #include #include #include "arbdb.h" #include "arbdbt.h" #include "ad_config.h" #define ad_assert(cond) arb_assert(cond) /* ******************************************************************************************* editor configurations ********************************************************************************************/ char **GBT_get_configuration_names_and_count(GBDATA *gb_main, int *countPtr) { /* returns existing configurations (as null terminated array of char* (heap-copies)) * Use GBT_free_names() to free the array. * * returns NULL if no configurations exist * * Note: automatically names configs w/o legal name. */ GBDATA *gb_configuration_data; int count = 0; char **configNames = NULL; GB_push_transaction(gb_main); gb_configuration_data = GB_search(gb_main, AWAR_CONFIG_DATA, GB_CREATE_CONTAINER); if (gb_configuration_data) { GBDATA *gb_config; for (gb_config = GB_entry(gb_configuration_data, AWAR_CONFIG); gb_config; gb_config = GB_nextEntry(gb_config)) { count++; } if (count) { configNames = (char **)GB_calloc(sizeof(char *),(size_t)count+1); count = 0; int unnamed_count = 0; for (gb_config = GB_entry(gb_configuration_data, AWAR_CONFIG); gb_config; gb_config = GB_nextEntry(gb_config)) { char *name = GBT_read_string(gb_config, "name"); if (!name || name[0] == 0) { // no name or empty name char *new_name = GBS_global_string_copy("", ++unnamed_count); GB_ERROR error = GBT_write_string(gb_config, "name", new_name); if (error) { GB_warningf("Failed to rename unnamed configuration to '%s'", new_name); freeset(new_name, NULL); } freeset(name, new_name); } if (name) configNames[count++] = name; } } } GB_pop_transaction(gb_main); *countPtr = count; return configNames; } char **GBT_get_configuration_names(GBDATA *gb_main) { int dummy; return GBT_get_configuration_names_and_count(gb_main, &dummy); } GBDATA *GBT_find_configuration(GBDATA *gb_main,const char *name){ GBDATA *gb_configuration_data = GB_search(gb_main,AWAR_CONFIG_DATA,GB_DB); GBDATA *gb_configuration_name = GB_find_string(gb_configuration_data,"name",name,GB_IGNORE_CASE,down_2_level); return gb_configuration_name ? GB_get_father(gb_configuration_name) : 0; } GBDATA *GBT_create_configuration(GBDATA *gb_main, const char *name){ GBDATA *gb_configuration = GBT_find_configuration(gb_main,name); if (!gb_configuration) { GBDATA *gb_configuration_data = GB_search(gb_main,AWAR_CONFIG_DATA,GB_DB); gb_configuration = GB_create_container(gb_configuration_data,AWAR_CONFIG); // create new container if (gb_configuration) { GB_ERROR error = GBT_write_string(gb_configuration, "name", name); if (error) GB_export_error(error); } } return gb_configuration; } GBT_config *GBT_load_configuration_data(GBDATA *gb_main, const char *name, GB_ERROR *error) { GBT_config *config = 0; GBDATA *gb_configuration; *error = GB_push_transaction(gb_main); gb_configuration = GBT_find_configuration(gb_main, name); if (!gb_configuration) { *error = GBS_global_string("No such configuration '%s'", name); } else { config = GB_calloc(1, sizeof(*config)); config->top_area = GBT_read_string(gb_configuration, "top_area"); config->middle_area = GBT_read_string(gb_configuration, "middle_area"); if (!config->top_area || !config->middle_area) { GBT_free_configuration_data(config); config = 0; *error = GBS_global_string("Configuration '%s' is corrupted (Reason: %s)", name, GB_await_error()); } } *error = GB_end_transaction(gb_main, *error); return config; } GB_ERROR GBT_save_configuration_data(GBT_config *config, GBDATA *gb_main, const char *name) { GB_ERROR error = 0; GBDATA *gb_configuration; GB_push_transaction(gb_main); gb_configuration = GBT_create_configuration(gb_main, name); if (!gb_configuration) { error = GBS_global_string("Can't create configuration '%s' (Reason: %s)", name, GB_await_error()); } else { error = GBT_write_string(gb_configuration, "top_area", config->top_area); if (!error) error = GBT_write_string(gb_configuration, "middle_area", config->middle_area); if (error) error = GBS_global_string("%s (in configuration '%s')", error, name); } return GB_end_transaction(gb_main, error); } void GBT_free_configuration_data(GBT_config *data) { free(data->top_area); free(data->middle_area); free(data); } GBT_config_parser *GBT_start_config_parser(const char *config_string) { GBT_config_parser *parser = GB_calloc(1, sizeof(*parser)); parser->config_string = nulldup(config_string); parser->parse_pos = 0; return parser; } GBT_config_item *GBT_create_config_item() { GBT_config_item *item = GB_calloc(1, sizeof(*item));; item->type = CI_UNKNOWN; item->name = 0; return item; } void GBT_free_config_item(GBT_config_item *item) { free(item->name); free(item); } GB_ERROR GBT_parse_next_config_item(GBT_config_parser *parser, GBT_config_item *item) { /* the passed 'item' gets filled with parsed data from the config string */ GB_ERROR error = 0; const char *str = parser->config_string; int pos = parser->parse_pos; freeset(item->name, NULL); item->type = CI_END_OF_CONFIG; if (str[pos]) { /* if not at 0-byte */ char label = str[pos+1]; item->type = CI_UNKNOWN; switch (label) { case 'L': item->type = CI_SPECIES; break; case 'S': item->type = CI_SAI; break; case 'F': item->type = CI_FOLDED_GROUP; break; case 'G': item->type = CI_GROUP; break; case 'E': item->type = CI_CLOSE_GROUP; break; default : item->type = CI_UNKNOWN; break; } switch (item->type) { case CI_CLOSE_GROUP: pos += 2; break; case CI_UNKNOWN: error = GBS_global_string_copy("Unknown flag '%c'", label); break; default : { const char *start_of_name = str+pos+2; const char *behind_name = strchr(start_of_name, '\1'); if (!behind_name) behind_name = strchr(start_of_name, '\0'); /* eos */ gb_assert(behind_name); item->name = GB_calloc(1, behind_name-start_of_name+1); memcpy(item->name, start_of_name, behind_name-start_of_name); pos = behind_name-str; break; } } if (error) { /* stop parser */ char *end_of_config = strchr(str+pos, '\0'); pos = end_of_config-str; gb_assert(str[pos] == 0); } parser->parse_pos = pos; } return error; } void GBT_append_to_config_string(const GBT_config_item *item, void *strstruct) { /* strstruct has to be created by GBS_stropen() */ ad_assert((item->type & (CI_UNKNOWN|CI_END_OF_CONFIG)) == 0); char prefix[] = "\1?"; if (item->type == CI_CLOSE_GROUP) { prefix[1] = 'E'; GBS_strcat(strstruct, prefix); } else { char label = 0; switch (item->type) { case CI_SPECIES: label = 'L'; break; case CI_SAI: label = 'S'; break; case CI_GROUP: label = 'G'; break; case CI_FOLDED_GROUP: label = 'F'; break; default : ad_assert(0); break; } prefix[1] = label; GBS_strcat(strstruct, prefix); GBS_strcat(strstruct, item->name); } } void GBT_free_config_parser(GBT_config_parser *parser) { free(parser->config_string); free(parser); } #if defined(DEBUG) && 0 void GBT_test_config_parser(GBDATA *gb_main) { char **config_names = GBT_get_configuration_names(gb_main); if (config_names) { int count; for (count = 0; config_names[count]; ++count) { char *config_name = config_names[count]; GBT_config *config; GB_ERROR error = 0; printf("Testing configuration '%s':\n", config_name); config = GBT_load_configuration_data(gb_main, config_name, &error); if (!config) { gb_assert(error); printf("* Error loading config: %s\n", error); } else { int area; gb_assert(!error); printf("* Successfully loaded\n"); for (area = 0; area<2 && !error; ++area) { const char *area_name = area ? "middle_area" : "top_area"; const char *area_config_def = area ? config->middle_area : config->top_area; GBT_config_parser *parser = GBT_start_config_parser(area_config_def); GBT_config_item *item = GBT_create_config_item(); void *new_config = GBS_stropen(1000); char *new_config_str; gb_assert(parser); printf("* Created parser for '%s'\n", area_name); while (1) { error = GBT_parse_next_config_item(parser, item); if (error || item->type == CI_END_OF_CONFIG) break; printf(" - %i %s\n", item->type, item->name ? item->name : "[close group]"); GBT_append_to_config_string(item, new_config); } GBT_free_config_item(item); new_config_str = GBS_strclose(new_config); if (error) printf("* Parser error: %s\n", error); else { if (strcmp(area_config_def, new_config_str) == 0) { printf("* Re-Created config is identical to original\n"); } else { printf("* Re-Created config is NOT identical to original:\n" " - original : '%s'\n" " - recreated: '%s'\n", area_config_def, new_config_str); } } GBT_free_config_parser(parser); free(new_config_str); } } GBT_free_configuration_data(config); } GBT_free_names(config_names); } } #endif /* DEBUG */ ./arbsrc_9167/ARBDB/ad_config.h0000644012664100000130000000547111440743000016033 0ustar arb_buildcoders// ==================================================================== // // // // File : ad_config.h // // Purpose : Read/write editor configurations // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2005 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef AD_CONFIG_H #define AD_CONFIG_H #ifdef __cplusplus extern "C" { #endif #define AWAR_CONFIG_DATA "configuration_data" #define AWAR_CONFIG "configuration" GBDATA *GBT_find_configuration(GBDATA *gb_main,const char *name); GBDATA *GBT_create_configuration(GBDATA *gb_main, const char *name); char **GBT_get_configuration_names(GBDATA *gb_main); char **GBT_get_configuration_names_and_count(GBDATA *gb_main, int *countPtr); typedef struct s_gbt_config { char *top_area; char *middle_area; } GBT_config; GBT_config *GBT_load_configuration_data(GBDATA *gb_main, const char *name, GB_ERROR *error); GB_ERROR GBT_save_configuration_data(GBT_config *data, GBDATA *gb_main, const char *name); void GBT_free_configuration_data(GBT_config *data); typedef enum { CI_UNKNOWN = 1, CI_GROUP = 2, CI_FOLDED_GROUP = 4, CI_SPECIES = 8, CI_SAI = 16, CI_CLOSE_GROUP = 32, CI_END_OF_CONFIG = 64, } gbt_config_item_type; typedef struct s_gbt_config_item { gbt_config_item_type type; char *name; } GBT_config_item; typedef struct s_gbt_config_parser { char *config_string; int parse_pos; } GBT_config_parser; GBT_config_parser *GBT_start_config_parser(const char *config_string); void GBT_free_config_parser(GBT_config_parser *parser); GB_ERROR GBT_parse_next_config_item(GBT_config_parser *parser, GBT_config_item *item); void GBT_append_to_config_string(const GBT_config_item *item, void *strstruct); GBT_config_item *GBT_create_config_item(); void GBT_free_config_item(GBT_config_item *item); #if defined(DEBUG) void GBT_test_config_parser(GBDATA *gb_main); #endif // DEBUG #ifdef __cplusplus } #endif #else #error ad_config.h included twice #endif // AD_CONFIG_H ./arbsrc_9167/ARBDB/ad_core.c0000644012664100000130000007137611440743000015520 0ustar arb_buildcoders#include #include #include /* #include */ /*#include "arbdb.h"*/ #include "adlocal.h" #ifndef __cplusplus void ad_use(int dummy, ...) { dummy = 0; } #endif /******************************************************************************************** GB data manangement ********************************************************************************************/ void gb_touch_entry(GBDATA * gbd, GB_CHANGED val) { GBCONTAINER *gbc; GBCONTAINER *gbc_father; gbd->flags2.update_in_server = 0; if ( val > (GB_CHANGED)(int)GB_ARRAY_FLAGS(gbd).changed) { GB_ARRAY_FLAGS(gbd).changed = val; GB_ARRAY_FLAGS(gbd).ever_changed = 1; } gbc = GB_FATHER(gbd); if ((!gbc->index_of_touched_one_son) || gbc->index_of_touched_one_son == gbd->index+1) { gbc->index_of_touched_one_son = gbd->index+1; }else{ gbc->index_of_touched_one_son = -1; } while ((gbc_father=GB_FATHER(gbc))!=NULL) { if ( (!gbc_father->index_of_touched_one_son) || gbc_father->index_of_touched_one_son == gbc->index+1 ) { gbc_father->index_of_touched_one_son = gbc->index+1; }else{ gbc_father->index_of_touched_one_son = -1; } if (gbc->flags2.update_in_server) { gbc->flags2.update_in_server = 0; } else { if (GB_ARRAY_FLAGS(gbc).changed >= (unsigned int)gb_son_changed) return; } if (gb_son_changed > (int)GB_ARRAY_FLAGS(gbc).changed) { GB_ARRAY_FLAGS(gbc).changed = gb_son_changed; GB_ARRAY_FLAGS(gbc).ever_changed = 1; } gbc = gbc_father; } } void gb_touch_header(GBCONTAINER *gbc) { gbc->flags2.header_changed = 1; gb_touch_entry((GBDATA*)gbc, gb_changed); } void gb_untouch_children(GBCONTAINER * gbc) { GBDATA *gbd; int index, start, end; GB_CHANGED changed; struct gb_header_list_struct *header = GB_DATA_LIST_HEADER(gbc->d); if (gbc->index_of_touched_one_son > 0) { start = (int)gbc->index_of_touched_one_son-1; end = start + 1; } else { if (!gbc->index_of_touched_one_son){ start = end = 0; }else{ start = 0; end = gbc->d.nheader; } } for (index = start; index < end; index++) { if ((gbd = GB_HEADER_LIST_GBD(header[index]))!=NULL) { if ( (changed = (GB_CHANGED)header[index].flags.changed) && (changed < gb_deleted) ) { header[index].flags.changed = gb_not_changed; if (GB_TYPE(gbd) == GB_DB) { gb_untouch_children((GBCONTAINER *) gbd); } } gbd->flags2.update_in_server = 0; } } gbc->index_of_touched_one_son = 0; } void gb_untouch_me(GBDATA * gbc) { GB_DATA_LIST_HEADER(GB_FATHER(gbc)->d)[gbc->index].flags.changed = gb_not_changed; if (GB_TYPE(gbc) == GB_DB){ gbc->flags2.header_changed = 0; ((GBCONTAINER *)gbc)->index_of_touched_one_son = 0; } } void gb_set_update_in_server_flags(GBCONTAINER * gbc) { int index; GBDATA *gbd; for (index = 0; index < gbc->d.nheader; index++) { if ((gbd = GBCONTAINER_ELEM(gbc,index))!=NULL) { if (GB_TYPE(gbd) == GB_DB) { gb_set_update_in_server_flags((GBCONTAINER *) gbd); } gbd->flags2.update_in_server = 1; } } } void gb_create_header_array(GBCONTAINER *gbc, int size){ /* creates or resizes an old array to children */ struct gb_header_list_struct *nl, *ol; if (size <= gbc->d.headermemsize) return; if (!size) return; if (size > 10) size++; if (size > 30) size = size*3/2; nl = (struct gb_header_list_struct *) gbm_get_mem(sizeof(struct gb_header_list_struct)*size,GBM_HEADER_INDEX); if ((ol=GB_DATA_LIST_HEADER(gbc->d))!=NULL) { int idx, maxidx = gbc->d.headermemsize; /* ???: oder ->d.nheader */ for (idx=0; idxserver_id==GBTUM_MAGIC_NUMBER || GB_read_clients(gbd)<0); /* or I am a client */ SET_GB_HEADER_LIST_GBD(nl[idx],gbd); } } gbm_free_mem((char *)ol, sizeof(struct gb_header_list_struct)*gbc->d.headermemsize, GBM_HEADER_INDEX ); } gbc->d.headermemsize = size; SET_GB_DATA_LIST_HEADER(gbc->d,nl); } void gb_link_entry(GBCONTAINER* father, GBDATA * gbd, long index_pos) { /* if index_pos == -1 -> to end of data; else special index position; error when data already exists in index pos */ SET_GB_FATHER(gbd,father); if (father == NULL) { /* 'main' entry in GB */ return; } if (GB_TYPE(father) != GB_DB) { GB_internal_errorf("to read a database into a non database keyword %s," "probably %%%% is missing\n", GB_read_key_pntr((GBDATA*)father)); return; } if ( index_pos < 0) { index_pos = father->d.nheader++; }else{ if ( index_pos >= father->d.nheader){ father->d.nheader = (int)index_pos+1; } } gb_create_header_array(father, (int)index_pos+1); if ( GBCONTAINER_ELEM(father,index_pos) ) { GB_internal_error("Index of Databaseentry used twice"); index_pos = father->d.nheader++; gb_create_header_array(father, (int)index_pos+1); } /* the following code skips just-deleted index position, while searching for an unused index position. I'm unsure whether this works w/o problems (ralf 2004-Oct-08) */ while (GB_DATA_LIST_HEADER(father->d)[index_pos].flags.changed >= gb_deleted) { #if defined(DEBUG) fprintf(stderr, "Warning: index_pos %li of father(%p) contains just-deleted entry -> using next index_pos..\n", index_pos, father); #endif /* DEBUG */ index_pos = father->d.nheader++; gb_create_header_array(father, (int)index_pos+1); } gbd->index = index_pos; SET_GBCONTAINER_ELEM(father,index_pos,gbd); father->d.size++; } void gb_unlink_entry(GBDATA * gbd) { GBCONTAINER *father = GB_FATHER(gbd); if (father) { int index_pos = (int)gbd->index; struct gb_header_list_struct *hls = &(GB_DATA_LIST_HEADER(father->d)[index_pos]); SET_GB_HEADER_LIST_GBD(*hls,NULL); hls->flags.key_quark = 0; hls->flags.changed = gb_deleted; hls->flags.ever_changed = 1; father->d.size--; SET_GB_FATHER(gbd,NULL); } } void gb_create_extended(GBDATA *gbd){ int index; if (gbd->ext) return; index = GB_GBM_INDEX(gbd); gbd->ext = (struct gb_db_extended *)gbm_get_mem( sizeof(struct gb_db_extended), index); } struct gb_main_type *gb_make_gb_main_type(const char *path) { struct gb_main_type *Main; Main = (struct gb_main_type *)gbm_get_mem(sizeof(struct gb_main_type),0); if (path) Main->path = strdup((char*)path); Main->key_2_index_hash = GBS_create_hash(20000, GB_MIND_CASE); Main->compression_mask = -1; /* allow all compressions */ gb_init_cache(Main); gb_init_undo_stack(Main); gb_init_ctype_table(); return Main; } char *gb_destroy_main(struct gb_main_type *Main) { if (Main->path) free(Main->path); gb_free_undo_stack(Main); gbm_free_mem((char *)Main,sizeof(struct gb_main_type),0); return 0; } /* inserts an object into the dabase hierarchy */ GBDATA *gb_make_pre_defined_entry( GBCONTAINER * father, GBDATA *gbd, long index_pos, GBQUARK keyq) { GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(father); SET_GB_FATHER(gbd,father); if (Main->local_mode) { gbd->server_id = GBTUM_MAGIC_NUMBER; } if (Main->clock) { GB_CREATE_EXT(gbd); gbd->ext->creation_date = Main->clock; } gb_link_entry(father, gbd, index_pos); gb_write_index_key(father,gbd->index,keyq); return gbd; } void gb_rename_entry(GBCONTAINER *gbc, const char *new_key) { GBCONTAINER *gb_father = GB_FATHER(gbc); GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gb_father); GBQUARK new_keyq; long new_gbm_index; gb_unlink_entry((GBDATA*)gbc); new_keyq = gb_key_2_quark(Main, new_key); new_gbm_index = GB_QUARK_2_GBMINDEX(Main, new_keyq); GB_GBM_INDEX(gbc) = new_gbm_index; gb_link_entry(gb_father, (GBDATA*)gbc, -1); gb_write_key((GBDATA*)gbc, new_key); } /* creates a terminal database object */ GBDATA *gb_make_entry(GBCONTAINER * father, const char *key, long index_pos, GBQUARK keyq, GB_TYPES type) { GBDATA *gbd; long gbm_index; static char *buffer = 0; char *p; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(father); if (!keyq) keyq = gb_key_2_quark(Main,key); gbm_index = GB_QUARK_2_GBMINDEX(Main, keyq); gbd = (GBDATA *) gbm_get_mem(sizeof(GBDATA), gbm_index); GB_GBM_INDEX(gbd) = gbm_index; SET_GB_FATHER(gbd,father); switch(type) { case GB_STRING_SHRT: type = GB_STRING; case GB_STRING: if (!buffer) buffer = strdup("1234"); p = buffer; while ( !(++(*p) )) { (*p)++;p++; if (!(*p)) break; } GB_SETSMDMALLOC(gbd,5,5,buffer); break; case GB_LINK: buffer[0] = ':'; buffer[1] = 0; GB_SETSMDMALLOC(gbd,0,0,buffer); break; default: break; } gbd->flags.type = type; if (Main->local_mode) { gbd->server_id = GBTUM_MAGIC_NUMBER; } if (Main->clock) { GB_CREATE_EXT(gbd); gbd->ext->creation_date = Main->clock; } gb_link_entry(father, gbd, index_pos); if (key) gb_write_key(gbd, key); else gb_write_index_key(father,gbd->index,keyq); return gbd; } /* inserts an object into the dabase hierarchy */ GBCONTAINER *gb_make_pre_defined_container( GBCONTAINER * father, GBCONTAINER *gbd, long index_pos, GBQUARK keyq) { GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(father); SET_GB_FATHER(gbd,father); gbd->main_idx = father->main_idx; if (Main->local_mode) gbd->server_id = GBTUM_MAGIC_NUMBER; if (Main->clock) { GB_CREATE_EXT((GBDATA *) gbd); gbd->ext->creation_date = Main->clock; } gb_link_entry(father, (GBDATA *) gbd, index_pos); gb_write_index_key(father,gbd->index,keyq); return gbd; } GBCONTAINER *gb_make_container(GBCONTAINER * father, const char *key, long index_pos, GBQUARK keyq) { GBCONTAINER *gbd; long gbm_index; if (father) { GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(father); if (!keyq) keyq = gb_key_2_quark(Main,key); gbm_index = GB_QUARK_2_GBMINDEX(Main, keyq); gbd = (GBCONTAINER *) gbm_get_mem(sizeof(GBCONTAINER), gbm_index); GB_GBM_INDEX(gbd) = gbm_index; SET_GB_FATHER(gbd,father); gbd->flags.type = GB_DB; gbd->main_idx = father->main_idx; if (Main->local_mode) gbd->server_id = GBTUM_MAGIC_NUMBER; if (Main->clock) { GB_CREATE_EXT((GBDATA *) gbd); gbd->ext->creation_date = Main->clock; } gb_link_entry(father, (GBDATA *) gbd, index_pos); if (key) gb_write_key((GBDATA *)gbd, key); else gb_write_index_key(father,gbd->index,keyq); return gbd; } else /* main entry */ { gbd = (GBCONTAINER *) gbm_get_mem(sizeof(GBCONTAINER), 0); gbd->flags.type = GB_DB; } return gbd; } /** Reduce an entry to its absolute minimum and remove it from database */ void gb_pre_delete_entry(GBDATA *gbd){ GB_MAIN_TYPE *Main = GB_MAIN(gbd); long type = GB_TYPE(gbd); struct gb_callback *cb, *cb2; long gbm_index; gbm_index = GB_GBM_INDEX(gbd); for (cb = GB_GET_EXT_CALLBACKS(gbd); cb; cb = cb2) { gbd->ext->callback = 0; cb2 = cb->next; if (!gbd->ext->old && type != GB_DB){ gb_save_extern_data_in_ts(gbd); } if (cb->type & GB_CB_DELETE) { gb_add_delete_callback_list(gbd, gbd->ext->old, cb->func, cb->clientdata); } gbm_free_mem((char *) cb, sizeof(struct gb_callback), gbm_index); } gb_write_key(gbd, 0); gb_unlink_entry(gbd); /* as soon as an entry is deleted, there is no need to keep track of the database entry within the server at the client side */ if (!Main->local_mode && gbd->server_id) { GBS_write_hashi(Main->remote_hash, gbd->server_id, 0); } if (type>= GB_BITS && type < GB_DB) { gb_free_cache(Main,gbd); } GB_FREE_TRANSACTION_SAVE(gbd); _GB_DELETE_EXT(gbd, gbm_index); } void gb_delete_entry(GBDATA **gbd_ptr) { GBDATA *gbd = *gbd_ptr; long gbm_index; long type = GB_TYPE(gbd); gbm_index = GB_GBM_INDEX(gbd); if (type == GB_DB) { int index; GBDATA *gbd2; GBCONTAINER *gbc = ((GBCONTAINER *) gbd); for (index = 0; index < gbc->d.nheader; index++) { if ((gbd2 = GBCONTAINER_ELEM(gbc,index))!=NULL) { gb_delete_entry(&gbd2); } }; } gb_pre_delete_entry(gbd); /* Now what is left is the core database entry !!! */ if (type == GB_DB) { GBCONTAINER *gbc = ((GBCONTAINER *) gbd); struct gb_header_list_struct *hls; if ((hls=GB_DATA_LIST_HEADER(gbc->d))!=NULL){ gbm_free_mem((char *)hls, sizeof(struct gb_header_list_struct) * gbc->d.headermemsize, GBM_HEADER_INDEX); } gbm_free_mem((char *) gbd, sizeof(GBCONTAINER), gbm_index); } else { if (type >= GB_BITS) GB_FREEDATA(gbd); gbm_free_mem((char *) gbd, sizeof(GBDATA), gbm_index); } *gbd_ptr = 0; // avoid further usage } void gb_delete_main_entry(GBDATA **gbd_ptr) { GBDATA *gbd = *gbd_ptr; long type = GB_TYPE(gbd); ad_assert(type == GB_DB); if (type == GB_DB) { int index; int pass; GBDATA *gbd2; GBCONTAINER *gbc = ((GBCONTAINER *) gbd); int sys_quark = GB_key_2_quark(gbd, GB_SYSTEM_FOLDER); for (pass = 1; pass <= 2; pass++) { for (index = 0; index < gbc->d.nheader; index++) { if ((gbd2 = GBCONTAINER_ELEM(gbc,index)) != NULL) { if (pass == 2 || GB_KEY_QUARK(gbd2) != sys_quark) { // delay deletion of system folder to pass 2 #if defined(DEBUG) fprintf(stderr, "Deleting root node '%s'\n", GB_get_db_path(gbd2)); #endif /* DEBUG */ gb_delete_entry(&gbd2); } } } } gb_delete_entry(gbd_ptr); } } /******************************************************************************************** Data Storage ********************************************************************************************/ /******************** Does not increment the refcounter ********************/ struct gb_transaction_save *gb_new_gb_transaction_save(GBDATA *gbd){ struct gb_transaction_save *ts; ts = (struct gb_transaction_save *)gbm_get_mem(sizeof(struct gb_transaction_save),GBM_CB_INDEX); ts->flags = gbd->flags; ts->flags2 = gbd->flags2; if (gbd->flags2.extern_data) { ts->info.ex.data = GB_EXTERN_DATA_DATA(gbd->info.ex); ts->info.ex.memsize = gbd->info.ex.memsize; ts->info.ex.size = gbd->info.ex.size; } else { memcpy(&(ts->info), &(gbd->info), sizeof(gbd->info)); } ts->refcount = 1; return ts; } void gb_add_ref_gb_transaction_save(struct gb_transaction_save *ts){ if (!ts) return; ts->refcount ++; } void gb_del_ref_gb_transaction_save(struct gb_transaction_save *ts){ if (!ts) return; ts->refcount --; if (ts->refcount <=0) { /* no more references !!!! */ if (ts->flags2.extern_data) { if (ts->info.ex.data) { gbm_free_mem(ts->info.ex.data, ts->info.ex.memsize, ts->flags2.gbm_index); } } gbm_free_mem((char*)ts, sizeof(struct gb_transaction_save), GBM_CB_INDEX); } } /* remove reference to undo entry and set extern pointer to zero */ void gb_del_ref_and_extern_gb_transaction_save(struct gb_transaction_save *ts){ if (ts->flags2.extern_data) { ts->info.ex.data = 0; } gb_del_ref_gb_transaction_save(ts); } void gb_abortdata(GBDATA *gbd) { struct gb_transaction_save *old; GB_INDEX_CHECK_OUT(gbd); old = gbd->ext->old; ad_assert(old!=0); gbd->flags = old->flags; gbd->flags2 = old->flags2; if (old->flags2.extern_data) { SET_GB_EXTERN_DATA_DATA(gbd->info.ex,old->info.ex.data); gbd->info.ex.memsize = old->info.ex.memsize; gbd->info.ex.size = old->info.ex.size; } else { memcpy(&(gbd->info), &(old->info),sizeof(old->info)); } gb_del_ref_and_extern_gb_transaction_save(old); gbd->ext->old = NULL; GB_INDEX_CHECK_IN(gbd); } void gb_save_extern_data_in_ts(GBDATA *gbd){ /* Saves gbd->info into gbd->ext->old * destroys gbd->info !!!! * dont call with GBCONTAINER */ GB_CREATE_EXT(gbd); GB_INDEX_CHECK_OUT(gbd); if (gbd->ext->old || (GB_ARRAY_FLAGS(gbd).changed == gb_created)){ GB_FREEDATA(gbd); }else{ gbd->ext->old = gb_new_gb_transaction_save(gbd); SET_GB_EXTERN_DATA_DATA(gbd->info.ex,0); } } /******************************************************************************************** Key Management ********************************************************************************************/ /********** set the key quark of an database field check for indexing data field ***********/ void gb_write_index_key(GBCONTAINER *father, long index, GBQUARK new_index) { GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(father); struct gb_header_list_struct *hls = GB_DATA_LIST_HEADER(father->d); GBQUARK old_index = hls[index].flags.key_quark; GBCONTAINER *gfather; Main->keys[old_index].nref--; Main->keys[new_index].nref++; if (Main->local_mode) { GBDATA *gbd = GB_HEADER_LIST_GBD(hls[index]); if (gbd && (GB_TYPE(gbd) == GB_STRING || GB_TYPE(gbd) == GB_LINK)) { struct gb_index_files_struct *ifs = 0; GB_INDEX_CHECK_OUT(gbd); gbd->flags2.tisa_index = 0; if ( (gfather = GB_FATHER(father))) { for ( ifs = GBCONTAINER_IFS(gfather); ifs; ifs = GB_INDEX_FILES_NEXT(ifs)) { if (ifs->key == new_index) break; } } hls[index].flags.key_quark = new_index; if (ifs) gb_index_check_in(gbd); return; } } hls[index].flags.key_quark = new_index; } void gb_write_key(GBDATA *gbd,const char *s) { GBQUARK new_index = 0; if (s) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); new_index = (int)GBS_read_hash(Main->key_2_index_hash,s); if (!new_index) { /* create new index */ new_index = (int)gb_create_key(Main,s,GB_TRUE); } } gb_write_index_key(GB_FATHER(gbd), gbd->index, new_index); } void gb_create_key_array(GB_MAIN_TYPE *Main, int index){ if (index >= Main->sizeofkeys) { Main->sizeofkeys = index*3/2+1; if (Main->keys) { int i; Main->keys = (struct gb_key_struct *) realloc((MALLOC_T)Main->keys, sizeof(struct gb_key_struct) * (size_t)Main->sizeofkeys); memset( (char *)&(Main->keys[Main->keycnt]), 0, sizeof(struct gb_key_struct) * (size_t) (Main->sizeofkeys - Main->keycnt)); for (i= Main->keycnt; i < Main->sizeofkeys; i++){ Main->keys[i].compression_mask = -1; } }else{ Main->sizeofkeys = 1000; Main->keys = (struct gb_key_struct *) GB_calloc(sizeof(struct gb_key_struct) ,(size_t)Main->sizeofkeys); } } } long gb_create_key(GB_MAIN_TYPE *Main, const char *s, GB_BOOL create_gb_key) { long index; if ( Main->first_free_key ) { index = Main->first_free_key; Main->first_free_key = Main->keys[index].next_free_key; Main->keys[index].next_free_key = 0; }else{ index = Main->keycnt++; gb_create_key_array(Main,(int)index+1); } if (!Main->local_mode) { long test_index = gbcmc_key_alloc((GBDATA *)Main->data,s); if (test_index != index) { GBK_terminatef("Database corrupt (allocating quark '%s' in server failed)",s); } } Main->keys[index].nref = 0; if (s){ Main->keys[index].key = strdup(s); GBS_write_hash(Main->key_2_index_hash,s,index); if (Main->gb_key_data && create_gb_key){ gb_load_single_key_data((GBDATA *)Main->data,(GBQUARK)index); /* Warning: starts a big recursion */ if (!Main->local_mode){ /* send new gb_key to server, needed for searching */ GB_update_server((GBDATA *)Main->data); } } } Main->key_clock = Main->clock; return index; } void gb_free_all_keys(GB_MAIN_TYPE *Main) { long index; if (!Main->keys) return; for (index = 1; index < Main->keycnt; index++) { if (Main->keys[index].key){ GBS_write_hash(Main->key_2_index_hash, Main->keys[index].key, 0); freeset(Main->keys[index].key, 0); } Main->keys[index].nref = 0; Main->keys[index].next_free_key = 0; } Main->first_free_key = 0; Main->keycnt = 1; } char *gb_abort_entry(GBDATA *gbd){ int type = GB_TYPE(gbd); GB_ARRAY_FLAGS(gbd).flags = gbd->flags.saved_flags; if (type == GB_DB){ return 0; }else{ if (GB_GET_EXT_OLD_DATA(gbd)) { if ( (type >= GB_BITS) ) { gb_free_cache(GB_MAIN(gbd),gbd); GB_FREEDATA(gbd); } gb_abortdata(gbd); } } return 0; } /******************************************************************************************** Transactions ********************************************************************************************/ #if defined(DEVEL_RALF) #warning change param for gb_abort_transaction_local_rek to GBDATA ** #warning remove param 'mode' (unused!) #endif /* DEVEL_RALF */ int gb_abort_transaction_local_rek(GBDATA *gbd, long mode) { /* delete created, undo changed */ GBDATA *gb; enum gb_key_types type; GB_CHANGED change = (GB_CHANGED)GB_ARRAY_FLAGS(gbd).changed; switch (change) { case gb_not_changed: return 0; case gb_created: GB_PUT_SECURITY_DELETE(gbd,0); gb_delete_entry(&gbd); return 1; case gb_deleted: GB_ARRAY_FLAGS(gbd).changed = gb_not_changed; // fall-through default: type = (GB_TYPES)GB_TYPE(gbd); if (type == GB_DB) { int index; GBCONTAINER *gbc = (GBCONTAINER *)gbd; struct gb_header_list_struct *hls = GB_DATA_LIST_HEADER(gbc->d); for (index = 0; index < gbc->d.nheader; index++) { if ((gb = GB_HEADER_LIST_GBD(hls[index]))!=NULL) { gb_abort_transaction_local_rek(gb,mode); } } } gb_abort_entry(gbd); } return 0; } GB_ERROR gb_commit_transaction_local_rek(GBDATA * gbd, long mode,int *pson_created) /* * commit created * delete deleted * mode 0 local = server or begin trans in client or commit_client_in_server * mode 1 remote = client * mode 2 remote = client send only updated data */ { GBDATA *gb; GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_TYPES type; GB_ERROR error; struct gb_callback *cb; GB_CHANGED change = (GB_CHANGED)GB_ARRAY_FLAGS(gbd).changed; int send_header; int son_created = 0; type = (GB_TYPES)GB_TYPE(gbd); switch (change) { case gb_not_changed: return 0; case gb_deleted: GB_PUT_SECURITY_DELETE(gbd, 0); if (mode) { if (!gbd->flags2.update_in_server) { error = gbcmc_sendupdate_delete(gbd); if (error) return error; gbd->flags2.update_in_server = 1; } if (mode == 2) return 0; } else { gbcms_add_to_delete_list(gbd); _GB_CHECK_IN_UNDO_DELETE(Main,gbd); return 0; } gb_delete_entry(&gbd); return 0; case gb_created: if (mode) { if (!gbd->flags2.update_in_server) { if (gbd->server_id) goto gb_changed_label; /* already created, do only a change */ error = gbcmc_sendupdate_create(gbd); if (type == GB_DB) { gb_set_update_in_server_flags(((GBCONTAINER *)gbd)); /* set all childrens update_in_server flags */ } gbd->flags2.update_in_server = 1; if (error) return error; } if (mode == 2) return 0; }else{ _GB_CHECK_IN_UNDO_CREATE(Main,gbd); } if (pson_created) { *pson_created = 1; } if (gbd->flags2.header_changed == 1) { ((GBCONTAINER*)gbd)->header_update_date = Main->clock; } goto gb_commit_do_callbacks; case gb_changed: if (mode) { if (!gbd->flags2.update_in_server) { gb_changed_label:; send_header = 0; if (gbd->flags2.header_changed) send_header = 1; error = gbcmc_sendupdate_update(gbd,send_header); if (error) return error; gbd->flags2.update_in_server = 1; } }else{ _GB_CHECK_IN_UNDO_MODIFY(Main,gbd); } default: /* means gb_son_changed + changed */ if (type == GB_DB) { GBCONTAINER *gbc = (GBCONTAINER *)gbd; int index, start, end; struct gb_header_list_struct *hls = GB_DATA_LIST_HEADER(gbc->d); if (gbc->index_of_touched_one_son>0) { start = (int)gbc->index_of_touched_one_son-1; end = start+1; }else{ if (!gbc->index_of_touched_one_son){ start = end = 0; }else{ start = 0; end = gbc->d.nheader; } } for (index = start; index < end; index++) { if ((gb = GB_HEADER_LIST_GBD(hls[index]))!=NULL) { if (!hls[index].flags.changed) continue; error = gb_commit_transaction_local_rek(gb,mode,&son_created); if (error) return error; } } if (mode) gbd->flags2.update_in_server = 1; } gb_commit_do_callbacks: if (mode == 2) { /* update server; no callbacks */ gbd->flags2.update_in_server = 1; }else{ GB_CB_TYPE gbtype = GB_CB_CHANGED; if (son_created) { gbtype = (GB_CB_TYPE)(GB_CB_SON_CREATED | GB_CB_CHANGED); } GB_CREATE_EXT(gbd); gbd->ext->update_date = Main->clock; if (gbd->flags2.header_changed ) { ((GBCONTAINER*)gbd)->header_update_date = Main->clock; } for (cb = GB_GET_EXT_CALLBACKS(gbd); cb; cb = cb->next) { if (cb->type & (GB_CB_CHANGED|GB_CB_SON_CREATED)) { gb_add_changed_callback_list(gbd,gbd->ext->old,gbtype,cb->func,cb->clientdata); } } GB_FREE_TRANSACTION_SAVE(gbd); } }/*switch*/ return 0; } ./arbsrc_9167/ARBDB/adExperiment.c0000644012664100000130000000401411440743000016532 0ustar arb_buildcoders/* ================================================================ */ /* */ /* File : adExperiment.c */ /* Purpose : DB-access on experiments */ /* */ /* Coded by Ralf Westram (coder@reallysoft.de) in December 2008 */ /* Institute of Microbiology (Technical University Munich) */ /* http://www.arb-home.de/ */ /* */ /* ================================================================ */ #include "arbdbt.h" GBDATA* EXP_get_experiment_data(GBDATA *gb_species) { return GB_search(gb_species, "experiment_data", GB_CREATE_CONTAINER); } GBDATA* EXP_find_experiment_rel_exp_data(GBDATA *gb_experiment_data, const char *name) { return GBT_find_item_rel_item_data(gb_experiment_data, "name", name); } GBDATA* EXP_find_experiment(GBDATA *gb_species, const char *name) { // search an experiment // Note: If you know the experiment exists, use EXP_expect_experiment! return EXP_find_experiment_rel_exp_data(EXP_get_experiment_data(gb_species), name); } GBDATA* EXP_expect_experiment(GBDATA *gb_species, const char *name) { // find existing experiment return GBT_expect_item_rel_item_data(EXP_get_experiment_data(gb_species), "name", name); } GBDATA* EXP_first_experiment_rel_exp_data(GBDATA *gb_experiment_data) { return GB_entry(gb_experiment_data, "experiment"); } GBDATA* EXP_next_experiment(GBDATA *gb_experiment) { gb_assert(GB_has_key(gb_experiment, "experiment")); return GB_nextEntry(gb_experiment); } GBDATA* EXP_find_or_create_experiment_rel_exp_data(GBDATA *gb_experiment_data, const char *name) { /* Search for a experiment, when experiment does not exist create it */ return GBT_find_or_create_item_rel_item_data(gb_experiment_data, "experiment", "name", name, GB_FALSE); } ./arbsrc_9167/ARBDB/adGene.c0000644012664100000130000006724011440743000015302 0ustar arb_buildcoders/* ==================================================================== */ /* */ /* File : adGene.c */ /* Purpose : Basic gene access functions */ /* */ /* */ /* Coded by Ralf Westram (coder@reallysoft.de) in July 2002 */ /* Copyright Department of Microbiology (Technical University Munich) */ /* */ /* Visit our web site at: http://www.arb-home.de/ */ /* */ /* */ /* ==================================================================== */ #include #include #include #include "adGene.h" #include "arbdbt.h" // ----------------------------------------------------------------- // bool GEN_is_genome_db(GBDATA *gb_main, int default_value) // ----------------------------------------------------------------- // default_value == 0 -> default to normal database // == 1 -> default to GENOM database // == -1 -> assume that type is already defined GB_BOOL GEN_is_genome_db(GBDATA *gb_main, int default_value) { GBDATA *gb_genom_db = GB_entry(gb_main, GENOM_DB_TYPE); if (!gb_genom_db) { // no DB-type entry -> create one with default GB_ERROR error = NULL; assert_or_exit(default_value != -1); // first call to GEN_is_genome_db has to provide a 'default_value' gb_genom_db = GB_create(gb_main, GENOM_DB_TYPE, GB_INT); if (!gb_genom_db) error = GB_await_error(); else error = GB_write_int(gb_genom_db, default_value); if (error) GBK_terminatef("Fatal in GEN_is_genome_db: %s", error); } return GB_read_int(gb_genom_db) != 0; } // -------------- // genes: // -------------- GBDATA* GEN_findOrCreate_gene_data(GBDATA *gb_species) { GBDATA *gb_gene_data = GB_search(gb_species, "gene_data", GB_CREATE_CONTAINER); gb_assert(gb_gene_data); return gb_gene_data; } GBDATA* GEN_find_gene_data(GBDATA *gb_species) { return GB_search(gb_species, "gene_data", GB_FIND); } GBDATA* GEN_expect_gene_data(GBDATA *gb_species) { GBDATA *gb_gene_data = GB_search(gb_species, "gene_data", GB_FIND); gb_assert(gb_gene_data); return gb_gene_data; } GBDATA* GEN_find_gene_rel_gene_data(GBDATA *gb_gene_data, const char *name) { GBDATA *gb_name = GB_find_string(gb_gene_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_name) return GB_get_father(gb_name); // found existing gene return 0; } GBDATA* GEN_find_gene(GBDATA *gb_species, const char *name) { // find existing gene. returns 0 if it does not exist. GBDATA *gb_gene_data = GEN_find_gene_data(gb_species); return gb_gene_data ? GEN_find_gene_rel_gene_data(gb_gene_data, name) : 0; } GBDATA* GEN_create_nonexisting_gene_rel_gene_data(GBDATA *gb_gene_data, const char *name) { GB_ERROR error = GB_push_transaction(gb_gene_data); GBDATA *gb_gene = 0; gb_assert(!GEN_find_gene_rel_gene_data(gb_gene_data, name)); // don't call this function if you are not sure that the gene does not exists! if (!error) { gb_gene = GB_create_container(gb_gene_data, "gene"); error = gb_gene ? GBT_write_string(gb_gene, "name", name) : GB_await_error(); } gb_assert(gb_gene || error); error = GB_end_transaction(gb_gene_data, error); if (error) GB_export_error(error); return gb_gene; } GBDATA* GEN_create_nonexisting_gene(GBDATA *gb_species, const char *name) { return GEN_create_nonexisting_gene_rel_gene_data(GEN_findOrCreate_gene_data(gb_species), name); } GBDATA* GEN_find_or_create_gene_rel_gene_data(GBDATA *gb_gene_data, const char *name) { GBDATA *gb_gene = 0; /* Search for a gene, when gene does not exist create it */ if (!name || !name[0]) { GB_export_error("Missing gene name"); } else { GBDATA *gb_name = GB_find_string(gb_gene_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_name) { gb_gene = GB_get_father(gb_name); // found existing gene } else { GB_ERROR error = GB_push_transaction(gb_gene_data); if (!error) { gb_gene = GB_create_container(gb_gene_data, "gene"); error = GBT_write_string(gb_gene, "name", name); } error = GB_end_transaction(gb_gene_data, error); if (error) { gb_gene = NULL; GB_export_error(error); } } } return gb_gene; } GBDATA* GEN_find_or_create_gene(GBDATA *gb_species, const char *name) { return GEN_find_or_create_gene_rel_gene_data(GEN_findOrCreate_gene_data(gb_species), name); } GBDATA* GEN_first_gene(GBDATA *gb_species) { return GB_entry(GEN_expect_gene_data(gb_species), "gene"); } GBDATA* GEN_first_gene_rel_gene_data(GBDATA *gb_gene_data) { return GB_entry(gb_gene_data, "gene"); } GBDATA* GEN_next_gene(GBDATA *gb_gene) { gb_assert(GB_has_key(gb_gene, "gene")); return GB_nextEntry(gb_gene); } GBDATA *GEN_first_marked_gene(GBDATA *gb_species) { return GB_first_marked(GEN_expect_gene_data(gb_species), "gene"); } GBDATA *GEN_next_marked_gene(GBDATA *gb_gene) { return GB_next_marked(gb_gene,"gene"); } /* ----------------------- */ /* gene position */ /* ----------------------- */ static struct GEN_position *lastFreedPosition = 0; struct GEN_position *GEN_new_position(int parts, GB_BOOL joinable) { struct GEN_position *pos; size_t pos_size = parts*sizeof(pos->start_pos[0]); size_t comp_size = parts*sizeof(pos->complement[0]); size_t data_size = 2*pos_size+3*comp_size; gb_assert(parts>0); if (lastFreedPosition && lastFreedPosition->parts == parts) { pos = lastFreedPosition; lastFreedPosition = 0; memset(pos->start_pos, 0, data_size); } else { pos = GB_calloc(1, sizeof(*pos)); pos->parts = parts; pos->start_pos = GB_calloc(1, data_size); pos->stop_pos = pos->start_pos+parts; pos->complement = (unsigned char*)(pos->stop_pos+parts); } pos->joinable = joinable; pos->start_uncertain = 0; pos->stop_uncertain = 0; return pos; } void GEN_use_uncertainties(struct GEN_position *pos) { if (pos->start_uncertain == 0) { // space was already allocated in GEN_new_position pos->start_uncertain = pos->complement+pos->parts; pos->stop_uncertain = pos->start_uncertain+pos->parts; size_t comp_size = pos->parts*sizeof(pos->complement[0]); memset(pos->start_uncertain, '=', 2*comp_size); } } void GEN_free_position(struct GEN_position *pos) { if (lastFreedPosition) { free(lastFreedPosition->start_pos); // rest is allocated together with start_pos free(lastFreedPosition); } lastFreedPosition = pos; } static void clearParseTable(char **parseTable, int parts) { int p; free(parseTable[0]); for (p = 0; p1) joinable = GB_TRUE; else if (parts<-1) parts = -parts; // neg value means "not joinable" (comes from feature location 'order(...)') else error = GBS_global_string("Illegal value %i in 'pos_joined'", parts); } } if (!error) { pos = GEN_new_position(parts, joinable); char **parseTable = GB_calloc(parts, sizeof(*parseTable)); error = parsePositions(gb_gene, "pos_start", parts, pos->start_pos, parseTable); if (!error) error = parsePositions(gb_gene, "pos_stop", parts, pos->stop_pos, parseTable); int p; if (!error) { error = parseCSV(gb_gene, "pos_complement", parts, parseTable); for (p = 0; pcomplement[p] = (unsigned char)atoi(val); } } } if (!error) { GBDATA *gb_pos_certain = GB_entry(gb_gene, "pos_certain"); if (gb_pos_certain) { error = parseCSV(gb_gene, "pos_certain", parts, parseTable); GEN_use_uncertainties(pos); for (p = 0; p\")", val); } } if (!error) { pos->start_uncertain[p] = val[0]; pos->stop_uncertain[p] = val[1]; } } } } clearParseTable(parseTable, parts); free(parseTable); } gb_assert(error || pos); if (error) { GB_export_error(error); if (pos) { GEN_free_position(pos); pos = 0; } } return pos; } GB_ERROR GEN_write_position(GBDATA *gb_gene, const struct GEN_position *pos) { GB_ERROR error = 0; GBDATA *gb_pos_joined = GB_entry(gb_gene, "pos_joined"); GBDATA *gb_pos_certain = GB_entry(gb_gene, "pos_certain"); GBDATA *gb_pos_start; GBDATA *gb_pos_stop; GBDATA *gb_pos_complement; int p; gb_assert(pos); gb_pos_start = GB_search(gb_gene, "pos_start", GB_STRING); if (!gb_pos_start) error = GB_await_error(); if (!error) { gb_pos_stop = GB_search(gb_gene, "pos_stop", GB_STRING); if (!gb_pos_stop) error = GB_await_error(); } if (!error) { gb_pos_complement = GB_search(gb_gene, "pos_complement", GB_STRING); if (!gb_pos_complement) error = GB_await_error(); } if (!error) { if (pos->start_uncertain) { if (!gb_pos_certain) { gb_pos_certain = GB_search(gb_gene, "pos_certain", GB_STRING); if (!gb_pos_certain) error = GB_await_error(); } } else { if (gb_pos_certain) { error = GB_delete(gb_pos_certain); gb_pos_certain = 0; } } } #if defined(DEBUG) /* test data */ if (!error) { for (p = 0; pparts; ++p) { char c; c = pos->complement[p]; gb_assert(c == 0 || c == 1); gb_assert(pos->start_pos[p] <= pos->stop_pos[p]); if (pos->start_uncertain) { c = pos->start_uncertain[p]; gb_assert(strchr("<=>+", c) != 0); c = pos->stop_uncertain[p]; gb_assert(strchr("<=>-", c) != 0); } } } #endif /* DEBUG */ if (!error) { if (pos->parts == 1) { if (gb_pos_joined) error = GB_delete(gb_pos_joined); if (!error) error = GB_write_string(gb_pos_start, GBS_global_string("%zu", pos->start_pos[0])); if (!error) error = GB_write_string(gb_pos_stop, GBS_global_string("%zu", pos->stop_pos[0])); if (!error) error = GB_write_string(gb_pos_complement, GBS_global_string("%c", pos->complement[0]+'0')); if (!error && gb_pos_certain) { error = GB_write_string(gb_pos_certain, GBS_global_string("%c%c", pos->start_uncertain[0], pos->stop_uncertain[0])); } } else { if (!gb_pos_joined) { gb_pos_joined = GB_search(gb_gene, "pos_joined", GB_INT); if (!gb_pos_joined) error = GB_await_error(); } if (!error) error = GB_write_int(gb_pos_joined, pos->parts * (pos->joinable ? 1 : -1)); // neg. parts means not joinable if (!error) { void *start = GBS_stropen(12*pos->parts); void *stop = GBS_stropen(12*pos->parts); void *complement = GBS_stropen(2*pos->parts); void *uncertain = GBS_stropen(3*pos->parts); for (p = 0; pparts; ++p) { if (p>0) { GBS_chrcat(start, ','); GBS_chrcat(stop, ','); GBS_chrcat(complement, ','); GBS_chrcat(uncertain, ','); } GBS_strcat(start, GBS_global_string("%zu", pos->start_pos[p])); GBS_strcat(stop, GBS_global_string("%zu", pos->stop_pos[p])); GBS_chrcat(complement, pos->complement[p]+'0'); if (gb_pos_certain) { GBS_chrcat(uncertain, pos->start_uncertain[p]); GBS_chrcat(uncertain, pos->stop_uncertain[p]); } } char *sstart = GBS_strclose(start); char *sstop = GBS_strclose(stop); char *scomplement = GBS_strclose(complement); char *suncertain = GBS_strclose(uncertain); error = GB_write_string(gb_pos_start, sstart); if (!error) error = GB_write_string(gb_pos_stop, sstop); if (!error) error = GB_write_string(gb_pos_complement, scomplement); if (!error && gb_pos_certain) error = GB_write_string(gb_pos_certain, suncertain); free(suncertain); free(scomplement); free(sstop); free(sstart); } } } return error; } static struct GEN_position *location2sort = 0; static int cmp_location_parts(const void *v1, const void *v2) { int i1 = *(int*)v1; int i2 = *(int*)v2; int cmp = location2sort->start_pos[i1]-location2sort->start_pos[i2]; if (!cmp) { cmp = location2sort->stop_pos[i1]-location2sort->stop_pos[i2]; } return cmp; } void GEN_sortAndMergeLocationParts(struct GEN_position *location) { // Note: makes location partly invalid (only start_pos + stop_pos are valid afterwards) int parts = location->parts; int *idx = (int*)malloc(parts*sizeof(*idx)); // idx[newpos] = oldpos int i, p; for (p = 0; pstart_pos[i], location->start_pos[p], size_t); swap(location->stop_pos[i], location->stop_pos[p], size_t); swap(idx[i], idx[p], int); } } #if defined(DEBUG) && 0 printf("Locations sorted:\n"); for (p = 0; pstart_pos[p], location->stop_pos[p], (int)(location->complement[p])); } #endif /* DEBUG */ i = 0; for (p = 1; pstop_pos[i]+1) >= location->start_pos[p]) { // parts overlap or are directly consecutive location->stop_pos[i] = location->stop_pos[p]; } else { i++; location->start_pos[i] = location->start_pos[p]; location->stop_pos[i] = location->stop_pos[p]; } } location->parts = i+1; #if defined(DEBUG) && 0 parts = location->parts; printf("Locations merged:\n"); for (p = 0; pstart_pos[p], location->stop_pos[p], (int)(location->complement[p])); } #endif /* DEBUG */ free(idx); } // ----------------------------------------- // test if species is pseudo-species // ----------------------------------------- const char *GEN_origin_organism(GBDATA *gb_pseudo) { GBDATA *gb_origin = GB_entry(gb_pseudo, "ARB_origin_species"); return gb_origin ? GB_read_char_pntr(gb_origin) : 0; } const char *GEN_origin_gene(GBDATA *gb_pseudo) { GBDATA *gb_origin = GB_entry(gb_pseudo, "ARB_origin_gene"); return gb_origin ? GB_read_char_pntr(gb_origin) : 0; } GB_BOOL GEN_is_pseudo_gene_species(GBDATA *gb_species) { return GEN_origin_organism(gb_species) != 0; } // ------------------------------------------------ // find organism or gene for pseudo-species // ------------------------------------------------ GB_ERROR GEN_organism_not_found(GBDATA *gb_pseudo) { GB_ERROR error = 0; gb_assert(GEN_is_pseudo_gene_species(gb_pseudo)); gb_assert(GEN_find_origin_organism(gb_pseudo, 0) == 0); error = GB_export_errorf("The gene-species '%s' refers to an unknown organism (%s)\n" "This occurs if you rename or delete the organism or change the entry\n" "'ARB_origin_species' and will most likely cause serious problems.", GBT_read_name(gb_pseudo), GEN_origin_organism(gb_pseudo)); return error; } // @@@ FIXME: missing: GEN_gene_not_found (like GEN_organism_not_found) /* ---------------------------------- */ /* searching pseudo species */ /* ---------------------------------- */ static const char *pseudo_species_hash_key(const char *organism_name, const char *gene_name) { return GBS_global_string("%s*%s", organism_name, gene_name); } GBDATA *GEN_read_pseudo_species_from_hash(GB_HASH *pseudo_hash, const char *organism_name, const char *gene_name) { return (GBDATA*)GBS_read_hash(pseudo_hash, pseudo_species_hash_key(organism_name, gene_name)); } void GEN_add_pseudo_species_to_hash(GBDATA *gb_pseudo, GB_HASH *pseudo_hash) { const char *organism_name = GEN_origin_organism(gb_pseudo); const char *gene_name = GEN_origin_gene(gb_pseudo); gb_assert(organism_name); gb_assert(gene_name); GBS_write_hash(pseudo_hash, pseudo_species_hash_key(organism_name, gene_name), (long)gb_pseudo); } GB_HASH *GEN_create_pseudo_species_hash(GBDATA *gb_main, int additionalSize) { GB_HASH *pseudo_hash = GBS_create_hash(GBT_get_species_hash_size(gb_main)+2*additionalSize, GB_IGNORE_CASE); GBDATA *gb_pseudo; for (gb_pseudo = GEN_first_pseudo_species(gb_main); gb_pseudo; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { GEN_add_pseudo_species_to_hash(gb_pseudo, pseudo_hash); } return pseudo_hash; } GBDATA *GEN_find_pseudo_species(GBDATA *gb_main, const char *organism_name, const char *gene_name, GB_HASH *pseudo_hash) { // parameter pseudo_hash : // 0 -> use slow direct search [if you only search one] // otherwise it shall be a hash generated by GEN_create_pseudo_species_hash() [if you search several times] // Note : use GEN_add_pseudo_species_to_hash to keep hash up-to-date GBDATA *gb_pseudo; if (pseudo_hash) { gb_pseudo = GEN_read_pseudo_species_from_hash(pseudo_hash, organism_name, gene_name); } else { for (gb_pseudo = GEN_first_pseudo_species(gb_main); gb_pseudo; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { const char *origin_gene_name = GEN_origin_gene(gb_pseudo); if (strcmp(gene_name, origin_gene_name) == 0) { const char *origin_species_name = GEN_origin_organism(gb_pseudo); if (strcmp(organism_name, origin_species_name) == 0) { break; // found pseudo species } } } } return gb_pseudo; } /* --------------------------- */ /* searching origins */ /* --------------------------- */ GBDATA *GEN_find_origin_organism(GBDATA *gb_pseudo, GB_HASH *organism_hash) { // parameter organism_hash: // 0 -> use slow direct search [if you only search one or two] // otherwise it shall be a hash generated by GBT_create_organism_hash() [if you search several times] // Note : use GBT_add_item_to_hash() to keep hash up-to-date const char *origin_species_name; GBDATA *gb_organism = 0; gb_assert(GEN_is_pseudo_gene_species(gb_pseudo)); origin_species_name = GEN_origin_organism(gb_pseudo); if (origin_species_name) { if (organism_hash) { gb_organism = (GBDATA*)GBS_read_hash(organism_hash, origin_species_name); } else { gb_organism = GBT_find_species_rel_species_data(GB_get_father(gb_pseudo), origin_species_name); } } return gb_organism; } GBDATA *GEN_find_origin_gene(GBDATA *gb_pseudo, GB_HASH *organism_hash) { const char *origin_gene_name; gb_assert(GEN_is_pseudo_gene_species(gb_pseudo)); origin_gene_name = GEN_origin_gene(gb_pseudo); if (origin_gene_name) { GBDATA *gb_organism = GEN_find_origin_organism(gb_pseudo, organism_hash); gb_assert(gb_organism); return GEN_find_gene(gb_organism, origin_gene_name); } return 0; } // -------------------------------- // find pseudo-species // -------------------------------- GBDATA* GEN_first_pseudo_species(GBDATA *gb_main) { GBDATA *gb_species = GBT_first_species(gb_main); if (!gb_species || GEN_is_pseudo_gene_species(gb_species)) return gb_species; return GEN_next_pseudo_species(gb_species); } GBDATA* GEN_first_pseudo_species_rel_species_data(GBDATA *gb_species_data) { GBDATA *gb_species = GBT_first_species_rel_species_data(gb_species_data); if (!gb_species || GEN_is_pseudo_gene_species(gb_species)) return gb_species; return GEN_next_pseudo_species(gb_species); } GBDATA* GEN_next_pseudo_species(GBDATA *gb_species) { if (gb_species) { while (1) { gb_species = GBT_next_species(gb_species); if (!gb_species || GEN_is_pseudo_gene_species(gb_species)) break; } } return gb_species; } GBDATA *GEN_first_marked_pseudo_species(GBDATA *gb_main) { GBDATA *gb_species = GBT_first_marked_species(gb_main); if (!gb_species || GEN_is_pseudo_gene_species(gb_species)) return gb_species; return GEN_next_marked_pseudo_species(gb_species); } GBDATA* GEN_next_marked_pseudo_species(GBDATA *gb_species) { if (gb_species) { while (1) { gb_species = GBT_next_marked_species(gb_species); if (!gb_species || GEN_is_pseudo_gene_species(gb_species)) break; } } return gb_species; } /* ------------------------ */ /* organisms */ /* ------------------------ */ GB_BOOL GEN_is_organism(GBDATA *gb_species) { gb_assert(GEN_is_genome_db(GB_get_root(gb_species), -1)); /* assert this is a genome db */ /* otherwise it is an error to use GEN_is_organism (or its callers)!!!! */ return GB_entry(gb_species, GENOM_ALIGNMENT) != 0; } GBDATA *GEN_find_organism(GBDATA *gb_main, const char *name) { GBDATA *gb_orga = GBT_find_species(gb_main, name); if (gb_orga) { if (!GEN_is_organism(gb_orga)) { fprintf(stderr, "ARBDB-warning: found unspecific species named '%s', but expected an 'organism' with that name\n", name); gb_orga = 0; } } return gb_orga; } GBDATA *GEN_first_organism(GBDATA *gb_main) { GBDATA *gb_organism = GBT_first_species(gb_main); if (!gb_organism || GEN_is_organism(gb_organism)) return gb_organism; return GEN_next_organism(gb_organism); } GBDATA *GEN_next_organism(GBDATA *gb_organism) { if (gb_organism) { while (1) { gb_organism = GBT_next_species(gb_organism); if (!gb_organism || GEN_is_organism(gb_organism)) break; } } return gb_organism; } long GEN_get_organism_count(GBDATA *gb_main) { long count = 0; GBDATA *gb_organism = GEN_first_organism(gb_main); while (gb_organism) { count++; gb_organism = GEN_next_organism(gb_organism); } return count; } GBDATA *GEN_first_marked_organism(GBDATA *gb_main) { GBDATA *gb_organism = GBT_first_marked_species(gb_main); if (!gb_organism || GEN_is_organism(gb_organism)) return gb_organism; return GEN_next_marked_organism(gb_organism); } GBDATA *GEN_next_marked_organism(GBDATA *gb_organism) { if (gb_organism) { while (1) { gb_organism = GBT_next_marked_species(gb_organism); if (!gb_organism || GEN_is_organism(gb_organism)) break; } } return gb_organism; } char *GEN_global_gene_identifier(GBDATA *gb_gene, GBDATA *gb_organism) { if (!gb_organism) { gb_organism = GB_get_grandfather(gb_gene); gb_assert(gb_organism); } return GBS_global_string_copy("%s/%s", GBT_read_name(gb_organism), GBT_read_name(gb_gene)); } ./arbsrc_9167/ARBDB/adGene.h0000644012664100000130000000463011440743000015301 0ustar arb_buildcoders/* ==================================================================== */ /* */ /* File : adGene.h */ /* Purpose : Specific defines for ARB genome */ /* */ /* */ /* Coded by Ralf Westram (coder@reallysoft.de) in July 2002 */ /* Copyright Department of Microbiology (Technical University Munich) */ /* */ /* Visit our web site at: http://www.arb-home.de/ */ /* */ /* ==================================================================== */ #ifndef ADGENE_H #define ADGENE_H #ifndef ARBDB_H #include "arbdb.h" #endif #define GENOM_ALIGNMENT "ali_genom" #define GENOM_DB_TYPE "genom_db" // main flag (true = genom db, false/missing=normal db) #define ARB_HIDDEN "ARB_display_hidden" /* GEN_position is interpreted as * * join( complement[0](start_pos[0]..stop_pos[0]), * complement[1](start_pos[1]..stop_pos[1]), * complement[2](start_pos[2], stop_pos[2]), * ... ) * * start_pos is always lower than stop_pos * joined genes on complementary strand are normally ordered backwards * (i.e. part with highest positions comes first) */ struct GEN_position { int parts; GB_BOOL joinable; // GB_TRUE = join(...), GB_FALSE = order(...) aka not joinable or unknown size_t *start_pos; size_t *stop_pos; unsigned char *complement; // 0 = normal or 1 = complementary // [optional elements] // start_uncertain/stop_uncertain contain one char per part (or NULL which means "all positions are certain") // meaning of characters: // '<' = position MIGHT be lower // '=' = position is certain // '>' = position MIGHT be higher // '+' = position is directly BEHIND (but before next base position, i.e. specifies a location between to base positions) // '-' = position is BEFORE unsigned char *start_uncertain; unsigned char *stop_uncertain; }; #ifndef ARBDB_H #include "arbdb.h" #endif #else #error adGene.h included twice #endif /* ADGENE_H */ ./arbsrc_9167/ARBDB/adhash.c0000644012664100000130000010351711440743000015345 0ustar arb_buildcoders/******************************************************************************************** Some Hash/Cash Procedures ********************************************************************************************/ #include #include /* #include */ #include #include #include #include #include "adlocal.h" /*#include "arbdb.h"*/ /* memory management */ struct gbs_hash_entry { char *key; long val; struct gbs_hash_entry *next; }; typedef struct gbs_hash_struct { size_t size; size_t nelem; GB_CASE case_sens; struct gbs_hash_entry **entries; // the hash table (has 'size' entries) void (*freefun)(long val); // function to free hash values (see GBS_create_dynaval_hash) } gbs_hash; struct gbs_hashi_entry { long key; long val; struct gbs_hashi_entry *next; }; struct gbs_hashi_struct { long size; struct gbs_hashi_entry **entries; }; /* prime numbers */ #define KNOWN_PRIMES 279 static long sorted_primes[KNOWN_PRIMES] = { 3, 5, 7, 11, 13, 17, 19, 23, 29, 31, 37, 41, 47, 53, 59, 67, 71, 79, 89, 97, 103, 109, 127, 137, 149, 157, 167, 179, 191, 211, 223, 239, 257, 271, 293, 311, 331, 349, 373, 397, 419, 443, 467, 499, 541, 571, 607, 641, 677, 719, 757, 797, 839, 887, 937, 991, 1049, 1109, 1171, 1237, 1303, 1373, 1447, 1531, 1613, 1699, 1789, 1889, 1993, 2099, 2213, 2333, 2459, 2591, 2729, 2879, 3037, 3203, 3373, 3557, 3761, 3967, 4177, 4397, 4637, 4889, 5147, 5419, 5711, 6029, 6353, 6689, 7043, 7417, 7817, 8231, 8669, 9127, 9613, 10133, 10667, 11239, 11831, 12457, 13121, 13829, 14557, 15329, 16139, 16993, 17891, 18839, 19841, 20887, 21991, 23159, 24379, 25667, 27031, 28463, 29983, 31567, 33247, 35023, 36871, 38821, 40867, 43019, 45289, 47681, 50207, 52859, 55661, 58601, 61687, 64937, 68371, 71971, 75767, 79757, 83969, 88397, 93053, 97961, 103123, 108553, 114269, 120293, 126631, 133303, 140321, 147709, 155501, 163697, 172313, 181387, 190979, 201031, 211619, 222773, 234499, 246889, 259907, 273601, 288007, 303187, 319147, 335953, 353641, 372263, 391861, 412487, 434201, 457057, 481123, 506449, 533111, 561173, 590713, 621821, 654553, 689021, 725293, 763471, 803659, 845969, 890501, 937373, 986717, 1038671, 1093357, 1150909, 1211489, 1275269, 1342403, 1413077, 1487459, 1565747, 1648181, 1734937, 1826257, 1922383, 2023577, 2130101, 2242213, 2360243, 2484473, 2615243, 2752889, 2897789, 3050321, 3210871, 3379877, 3557773, 3745051, 3942209, 4149703, 4368113, 4598063, 4840103, 5094853, 5363011, 5645279, 5942399, 6255157, 6584377, 6930929, 7295719, 7679713, 8083919, 8509433, 8957309, 9428759, 9925021, 10447391, 10997279, 11576087, 12185359, 12826699, 13501819, 14212447, 14960471, 15747869, 16576727, 17449207, 18367597, 19334317, 20351927, 21423107, 22550639, 23737523, 24986867, 26301967, 27686291, 29143493, 30677363, 32291971, 33991597, 35780639, 37663841, 39646153, 41732809, 43929307, 46241389, 48675167, 51237019, 53933713, 56772371, 59760391, 62905681, 66216511, 69701591, 73370107, 77231711, 81296543, 85575313, 90079313, 94820347, 99810899 }; /* define CALC_PRIMES only to expand the above table */ #if defined(DEBUG) /* #define CALC_PRIMES */ #endif /* DEBUG */ #ifdef CALC_PRIMES #define CALC_PRIMES_UP_TO 100000000L #define PRIME_UNDENSITY 20L /* the higher, the less primes are stored */ #warning "please don't define CALC_PRIMES permanently" static unsigned char bit_val[8] = { 1, 2, 4, 8, 16, 32, 64, 128 }; static int bit_value(const unsigned char *erastothenes, long num) { // 'num' is odd and lowest 'num' is 3 long bit_num = ((num-1) >> 1)-1; // 3->0 5->1 7->2 etc. long byte_num = bit_num >> 3; // div 8 char byte = erastothenes[byte_num]; gb_assert(bit_num >= 0); gb_assert((num&1) == 1); // has to odd bit_num = bit_num & 7; return (byte & bit_val[bit_num]) ? 1 : 0; } static void set_bit_value(unsigned char *erastothenes, long num, int val) { // 'num' is odd and lowest 'num' is 3; val is 0 or 1 long bit_num = ((num-1) >> 1)-1; // 3->0 5->1 7->2 etc. long byte_num = bit_num >> 3; // div 8 char byte = erastothenes[byte_num]; gb_assert(bit_num >= 0); gb_assert((num&1) == 1); // has to odd bit_num = bit_num & 7; if (val) { byte |= bit_val[bit_num]; } else { byte &= (0xff - bit_val[bit_num]); } erastothenes[byte_num] = byte; } static void calculate_primes_upto() { { long bits_needed = CALC_PRIMES_UP_TO/2+1; // only need bits for odd numbers long bytes_needed = (bits_needed/8)+1; unsigned char *erastothenes = GB_calloc(bytes_needed, 1); // bit = 1 means "is not a prime" long prime_count = 0; long num; printf("erastothenes' size = %li\n", bytes_needed); if (!erastothenes) { GB_internal_error("out of memory"); return; } for (num = 3; num <= CALC_PRIMES_UP_TO; num += 2) { if (bit_value(erastothenes, num) == 0) { // is a prime number long num2; prime_count++; for (num2 = num*2; num2 <= CALC_PRIMES_UP_TO; num2 += num) { // with all multiples if ((num2&1) == 1) { // skip even numbers set_bit_value(erastothenes, num2, 1); } } } // otherwise it is no prime and all multiples are already set to 1 } /* thin out prime numbers (we don't need all of them) */ { long prime_count2 = 0; long last_prime = -1000; int index; int printed = 0; for (num = 3; num <= CALC_PRIMES_UP_TO; num += 2) { if (bit_value(erastothenes, num) == 0) { // is a prime number long diff = num-last_prime; if ((diff*PRIME_UNDENSITY)128) { printf("\n "); printed = 4; } if (num>INT_MAX) { printed += printf("%liL, ", num); } else { printed += printf("%li, ", num); } } } printf("\n};\n\n"); } free(erastothenes); } fflush(stdout); exit(1); } #endif /* CALC_PRIMES */ long GBS_get_a_prime(long above_or_equal_this) { // return a prime number above_or_equal_this // NOTE: it is not necessarily the next prime number, because we don't calculate all prime numbers! #if defined(CALC_PRIMES) calculate_primes_upto(above_or_equal_this); #endif /* CALC_PRIMES */ if (sorted_primes[KNOWN_PRIMES-1] >= above_or_equal_this) { int l = 0, h = KNOWN_PRIMES-1; while (l < h) { int m = (l+h)/2; #if defined(DEBUG) && 0 printf("l=%-3i m=%-3i h=%-3i above_or_equal_this=%li sorted_primes[%i]=%li sorted_primes[%i]=%li sorted_primes[%i]=%li\n", l, m, h, above_or_equal_this, l, sorted_primes[l], m, sorted_primes[m], h, sorted_primes[h]); #endif /* DEBUG */ gb_assert(l <= m); gb_assert(m <= h); if (sorted_primes[m] > above_or_equal_this) { h = m-1; } else { if (sorted_primes[m] < above_or_equal_this) { l = m+1; } else { h = l = m; } } } if (sorted_primes[l] < above_or_equal_this) { l++; // take next gb_assert(l= above_or_equal_this); gb_assert(l == 0 || sorted_primes[l-1] < above_or_equal_this); return sorted_primes[l]; } fprintf(stderr, "Warning: GBS_get_a_prime failed for value %li (performance bleed)\n", above_or_equal_this); gb_assert(0); // add more primes to sorted_primes[] return above_or_equal_this; } /******************************************************************************************** Some Hash Procedures for [string,long] ********************************************************************************************/ GB_HASH *GBS_create_hash(long user_size, GB_CASE case_sens) { /* Create a hash of size size, this hash is using linked list to avoid collisions, * ignore_case == 0 -> 'a != A' * ignore_case != 0 -> 'a == A' */ struct gbs_hash_struct *hs; long size = GBS_get_a_prime(user_size); // use next prime number for hash size hs = (struct gbs_hash_struct *)GB_calloc(sizeof(struct gbs_hash_struct),1); hs->size = size; hs->nelem = 0; hs->case_sens = case_sens; hs->entries = (struct gbs_hash_entry **)GB_calloc(sizeof(struct gbs_hash_entry *), size); hs->freefun = NULL; return hs; } GB_HASH *GBS_create_dynaval_hash(long user_size, GB_CASE case_sens, void (*freefun)(long)) { /* like GBS_create_hash, but values stored in hash get free'd using 'freefun' */ GB_HASH *hs = GBS_create_hash(user_size, case_sens); hs->freefun = freefun; return hs; } void GBS_dynaval_free(long val) { free((char*)val); } #if defined(DEBUG) static void dump_access(const char *title, GB_HASH *hs, double mean_access) { fprintf(stderr, "%s: size=%zu elements=%zu mean_access=%.2f hash-speed=%.1f%%\n", title, hs->size, hs->nelem, mean_access, 100.0/mean_access); } #endif /* DEBUG */ void GBS_optimize_hash(GB_HASH *hs) { if (hs->nelem > hs->size) { /* hash is overfilled (even full is bad) */ size_t new_size = GBS_get_a_prime(hs->nelem*3); #if defined(DEBUG) dump_access("Optimizing filled hash", hs, GBS_hash_mean_access_costs(hs)); #endif /* DEBUG */ if (new_size>hs->size) { // avoid overflow struct gbs_hash_entry **new_entries = GB_calloc(sizeof(struct gbs_hash_entry*), new_size); size_t pos; for (pos = 0; possize; ++pos) { struct gbs_hash_entry *e; struct gbs_hash_entry *next; for (e = hs->entries[pos]; e; e = next) { long new_idx; next = e->next; GB_CALC_HASH_INDEX(e->key, new_idx, new_size, hs->case_sens); e->next = new_entries[new_idx]; new_entries[new_idx] = e; } } free(hs->entries); hs->size = new_size; hs->entries = new_entries; } #if defined(DEBUG) dump_access("Optimized hash ", hs, GBS_hash_mean_access_costs(hs)); #endif /* DEBUG */ } } static long gbs_hash_to_strstruct(const char *key, long val, void *cd_out) { const char *p; int c; struct GBS_strstruct *out = (struct GBS_strstruct*)cd_out; for (p = key; (c=*p) ; p++) { GBS_chrcat(out, c); if (c==':') GBS_chrcat(out, c); } GBS_chrcat(out, ':'); GBS_intcat(out, val); GBS_chrcat(out, ' '); return val; } char *GBS_hashtab_2_string(GB_HASH *hash) { struct GBS_strstruct *out = GBS_stropen(1024); GBS_hash_do_loop(hash, gbs_hash_to_strstruct, out); return GBS_strclose(out); } char *GBS_string_2_hashtab(GB_HASH *hash, char *data){ /* destroys data */ char *p,*d,*dp; int c; char *nextp; char *error = 0; char *str; int strlen; long val; for ( p = data; p ; p = nextp ){ strlen = 0; for (dp = p; (c = *dp); dp++){ if (c==':') { if (dp[1] == ':') dp++; else break; } strlen++; } if (*dp) { nextp = strchr(dp,' '); if (nextp) nextp++; } else break; str = (char *)GB_calloc(sizeof(char),strlen+1); for (dp = p, d = str; (c = *dp) ; dp++){ if (c==':'){ if (dp[1] == ':') { *(d++) = c; dp++; }else break; }else{ *(d++) = c; } } val = atoi(dp+1); GBS_write_hash_no_strdup(hash,str,val); } return error; } static struct gbs_hash_entry *find_hash_entry(const GB_HASH *hs, const char *key, size_t *index) { struct gbs_hash_entry *e; if (hs->case_sens == GB_IGNORE_CASE) { GB_CALC_HASH_INDEX_CASE_IGNORED(key,*index,hs->size); for(e=hs->entries[*index];e;e=e->next){ if (!strcasecmp(e->key,key)) return e; } } else { GB_CALC_HASH_INDEX_CASE_SENSITIVE(key,*index,hs->size); for(e=hs->entries[*index];e;e=e->next){ if (!strcmp(e->key,key)) return e; } } return 0; } long GBS_read_hash(const GB_HASH *hs,const char *key) { size_t i; struct gbs_hash_entry *e = find_hash_entry(hs, key, &i); return e ? e->val : 0; } static void delete_from_list(GB_HASH *hs, size_t i, struct gbs_hash_entry *e) { // delete the hash entry 'e' from list at index 'i' hs->nelem--; if (hs->entries[i] == e) { hs->entries[i] = e->next; } else { struct gbs_hash_entry *ee; for (ee = hs->entries[i]; ee->next != e; ee = ee->next); if (ee->next == e) { ee->next = e->next; } else { GB_internal_error("Database may be corrupt, hash tables error"); } } free(e->key); if (hs->freefun) hs->freefun(e->val); gbm_free_mem((char *)e,sizeof(struct gbs_hash_entry),GBM_HASH_INDEX); } static long write_hash(GB_HASH *hs, char *key, GB_BOOL copyKey, long val) { /* returns the old value (or 0 if key had no entry) * if 'copyKey' == GB_FALSE, 'key' will be freed (now or later) and may be invalid! * if 'copyKey' == GB_TRUE, 'key' will not be touched in any way! */ size_t i; struct gbs_hash_entry *e = find_hash_entry(hs, key, &i); long oldval = 0; if (e) { oldval = e->val; if (!val) delete_from_list(hs, i, e); // (val == 0 is not stored, cause 0 is the default value) else e->val = val; if (!copyKey) free(key); // already had an entry -> delete usused mem } else if (val != 0) { // don't store 0 // create new hash entry e = (struct gbs_hash_entry *)gbm_get_mem(sizeof(struct gbs_hash_entry),GBM_HASH_INDEX); e->next = hs->entries[i]; e->key = copyKey ? strdup(key) : key; e->val = val; hs->entries[i] = e; hs->nelem++; } else { if (!copyKey) free(key); // don't need an entry -> delete usused mem } return oldval; } long GBS_write_hash(GB_HASH *hs, const char *key, long val) { /* returns the old value (or 0 if key had no entry) */ return write_hash(hs, (char*)key, GB_TRUE, val); } long GBS_write_hash_no_strdup(GB_HASH *hs, char *key, long val) { /* same as GBS_write_hash, but does no strdup. 'key' is freed later in GBS_free_hash, * so the user has to 'malloc' the string and give control to the hash. * Note: after calling this function 'key' may be invalid! */ return write_hash(hs, key, GB_FALSE, val); } long GBS_incr_hash(GB_HASH *hs,const char *key) { /* returns new value */ size_t i; struct gbs_hash_entry *e = find_hash_entry(hs, key, &i); long result; if (e) { result = ++e->val; if (!result) delete_from_list(hs, i, e); } else { e = (struct gbs_hash_entry *)gbm_get_mem(sizeof(struct gbs_hash_entry),GBM_HASH_INDEX); e->next = hs->entries[i]; e->key = strdup(key); e->val = result = 1; hs->entries[i] = e; hs->nelem++; } return result; } #if defined(DEVEL_RALF) /* #define DUMP_HASH_ENTRIES */ #endif /* DEVEL_RALF */ #if defined(DEBUG) double GBS_hash_mean_access_costs(GB_HASH *hs) { /* returns the mean access costs of the hash [1.0 .. inf[ * 1.0 is optimal * 2.0 means: hash speed is 50% (1/2.0) */ double mean_access = 1.0; if (hs->nelem) { int strcmps_needed = 0; size_t pos; for (pos = 0; possize; pos++) { int strcmps = 1; struct gbs_hash_entry *e; for (e = hs->entries[pos]; e; e = e->next) { strcmps_needed += strcmps++; } } mean_access = (double)strcmps_needed/hs->nelem; } return mean_access; } #endif /* DEBUG */ void GBS_free_hash_entries(GB_HASH *hs) { long i; long e2; struct gbs_hash_entry *e, *ee; e2 = hs->size; #if defined(DUMP_HASH_ENTRIES) for (i = 0; i < e2; i++) { printf("hash[%li] =", i); for (e = hs->entries[i]; e; e = e->next) { printf(" '%s'", e->key); } printf("\n"); } #endif /* DUMP_HASH_ENTRIES */ #if defined(DEBUG) if (e2 >= 30) { // ignore small hashes double mean_access = GBS_hash_mean_access_costs(hs); if (mean_access > 1.5) { // every 2nd access is a collision - increase hash size? dump_access("hash-size-warning", hs, mean_access); #if defined(DEVEL_RALF) gb_assert(mean_access<2.0); // hash with 50% speed or less #endif /* DEVEL_RALF */ } } #endif /* DEBUG */ for (i = 0; i < e2; i++) { for (e = hs->entries[i]; e; e = ee) { free(e->key); if (hs->freefun) hs->freefun(e->val); ee = e->next; gbm_free_mem((char *)e,sizeof(struct gbs_hash_entry),GBM_HASH_INDEX); } hs->entries[i] = 0; } } void GBS_free_hash(GB_HASH *hs) { if (!hs) return; GBS_free_hash_entries(hs); free((char *)hs->entries); free((char *)hs); } /* determine hash quality */ typedef struct { long count; // how many stats long min_size, max_size, sum_size; long min_nelem, max_nelem, sum_nelem; long min_collisions, max_collisions, sum_collisions; double min_fill_ratio, max_fill_ratio, sum_fill_ratio; double min_hash_quality, max_hash_quality, sum_hash_quality; } gbs_hash_statistic_summary; static GB_HASH *stat_hash = 0; static void init_hash_statistic_summary(gbs_hash_statistic_summary *stat) { stat->count = 0; stat->min_size = stat->min_nelem = stat->min_collisions = LONG_MAX; stat->max_size = stat->max_nelem = stat->max_collisions = LONG_MIN; stat->min_fill_ratio = stat->min_hash_quality = DBL_MAX; stat->max_fill_ratio = stat->max_hash_quality = DBL_MIN; stat->sum_size = stat->sum_nelem = stat->sum_collisions = 0; stat->sum_fill_ratio = stat->sum_hash_quality = 0.0; } static gbs_hash_statistic_summary *get_stat_summary(const char *id) { long found; if (!stat_hash) stat_hash = GBS_create_hash(10, GB_MIND_CASE); found = GBS_read_hash(stat_hash, id); if (!found) { gbs_hash_statistic_summary *stat = GB_calloc(1, sizeof(*stat)); init_hash_statistic_summary(stat); found = (long)stat; GBS_write_hash(stat_hash, id, found); } return (gbs_hash_statistic_summary*)found; } static void addto_hash_statistic_summary(gbs_hash_statistic_summary *stat, long size, long nelem, long collisions, double fill_ratio, double hash_quality) { stat->count++; if (stat->min_size > size) stat->min_size = size; if (stat->max_size < size) stat->max_size = size; if (stat->min_nelem > nelem) stat->min_nelem = nelem; if (stat->max_nelem < nelem) stat->max_nelem = nelem; if (stat->min_collisions > collisions) stat->min_collisions = collisions; if (stat->max_collisions < collisions) stat->max_collisions = collisions; if (stat->min_fill_ratio > fill_ratio) stat->min_fill_ratio = fill_ratio; if (stat->max_fill_ratio < fill_ratio) stat->max_fill_ratio = fill_ratio; if (stat->min_hash_quality > hash_quality) stat->min_hash_quality = hash_quality; if (stat->max_hash_quality < hash_quality) stat->max_hash_quality = hash_quality; stat->sum_size += size; stat->sum_nelem += nelem; stat->sum_collisions += collisions; stat->sum_fill_ratio += fill_ratio; stat->sum_hash_quality += hash_quality; } void GBS_clear_hash_statistic_summary(const char *id) { init_hash_statistic_summary(get_stat_summary(id)); } void GBS_print_hash_statistic_summary(const char *id) { gbs_hash_statistic_summary *stat = get_stat_summary(id); long count = stat->count; printf("Statistic summary for %li hashes of type '%s':\n", count, id); printf("- size: min = %6li ; max = %6li ; mean = %6.1f\n", stat->min_size, stat->max_size, (double)stat->sum_size/count); printf("- nelem: min = %6li ; max = %6li ; mean = %6.1f\n", stat->min_nelem, stat->max_nelem, (double)stat->sum_nelem/count); printf("- fill_ratio: min = %5.1f%% ; max = %5.1f%% ; mean = %5.1f%%\n", stat->min_fill_ratio*100.0, stat->max_fill_ratio*100.0, (double)stat->sum_fill_ratio/count*100.0); printf("- collisions: min = %6li ; max = %6li ; mean = %6.1f\n", stat->min_collisions, stat->max_collisions, (double)stat->sum_collisions/count); printf("- hash_quality: min = %5.1f%% ; max = %5.1f%% ; mean = %5.1f%%\n", stat->min_hash_quality*100.0, stat->max_hash_quality*100.0, (double)stat->sum_hash_quality/count*100.0); } void GBS_calc_hash_statistic(GB_HASH *hs, const char *id, int print) { size_t i; long queues = 0; long collisions; double fill_ratio = (double)hs->nelem/hs->size; double hash_quality; for (i = 0; i < hs->size; i++) { if (hs->entries[i]) queues++; } collisions = hs->nelem - queues; hash_quality = (double)queues/hs->nelem; // no collisions means 100% quality if (print != 0) { printf("Statistic for hash '%s':\n", id); printf("- size = %zu\n", hs->size); printf("- elements = %zu (fill ratio = %4.1f%%)\n", hs->nelem, fill_ratio*100.0); printf("- collisions = %li (hash quality = %4.1f%%)\n", collisions, hash_quality*100.0); } addto_hash_statistic_summary(get_stat_summary(id), hs->size, hs->nelem, collisions, fill_ratio, hash_quality); } void GBS_hash_do_loop(GB_HASH *hs, gb_hash_loop_type func, void *client_data) { long i,e2; struct gbs_hash_entry *e, *next; e2 = hs->size; for (i=0;ientries[i]; e; e = next) { next = e->next; if (e->val) { e->val = func(e->key, e->val, client_data); if (!e->val) delete_from_list(hs, i, e); } } } } long GBS_hash_count_elems(GB_HASH *hs) { long e2 = hs->size; long count = 0; long i; struct gbs_hash_entry *e; for (i = 0; ientries[i]; e; e=e->next) { if (e->val) { ++count; } } } return count; } long GBS_hash_count_value(GB_HASH *hs, long val) { long e2 = hs->size; long count = 0; long i; struct gbs_hash_entry *e; ad_assert(val != 0); // counting zero values makes no sense (cause these are not stored in the hash) for (i = 0; ientries[i]; e; e=e->next) { if (e->val == val) { ++count; } } } return count; } const char *GBS_hash_next_element_that(GB_HASH *hs, const char *last_key, GB_BOOL (*condition)(const char *key, long val, void *cd), void *cd) { /* Returns the key of the next element after 'last_key' matching 'condition' (i.e. where condition returns GB_TRUE). * If 'last_key' is NULL, the first matching element is returned. * Returns NULL if no (more) elements match the 'condition'. */ size_t size = hs->size;; size_t i = 0; struct gbs_hash_entry *e = 0; if (last_key) { e = find_hash_entry(hs, last_key, &i); if (!e) return NULL; e = e->next; // use next entry after 'last_key' if (!e) i++; } for (; ientries[i]; // search first/next entry while (e) { if ((*condition)(e->key, e->val, cd)) break; e = e->next; if (!e) { for (i++; ientries[i]; } } return e ? e->key : NULL; } #ifdef __cplusplus extern "C" { #endif int wrap_hashCompare4gb_sort(const void *v0, const void *v1, void *sorter) { const struct gbs_hash_entry *e0 = (const struct gbs_hash_entry*)v0; const struct gbs_hash_entry *e1 = (const struct gbs_hash_entry*)v1; return ((gbs_hash_compare_function)sorter)(e0->key, e0->val, e1->key, e1->val); } #ifdef __cplusplus } #endif void GBS_hash_do_sorted_loop(GB_HASH *hs, gb_hash_loop_type func, gbs_hash_compare_function sorter, void *client_data) { long i, j, e2; struct gbs_hash_entry *e, **mtab; e2 = hs->size; mtab = (struct gbs_hash_entry **)GB_calloc(sizeof(void *), hs->nelem); for (j = 0, i = 0; i < e2; i++) { for (e = hs->entries[i]; e; e = e->next) { if (e->val) { mtab[j++] = e; } } } GB_sort((void **) mtab, 0, j, wrap_hashCompare4gb_sort, (void*)sorter); for (i = 0; i < j; i++) { long new_val = func(mtab[i]->key, mtab[i]->val, client_data); if (new_val != mtab[i]->val) GBS_write_hash(hs, mtab[i]->key, new_val); } free((char *)mtab); } int GBS_HCF_sortedByKey(const char *k0, long v0, const char *k1, long v1) { GBUSE(v0); GBUSE(v1); return strcmp(k0, k1); } /******************************************************************************************** Some Hash Procedures for [long,long] ********************************************************************************************/ long gbs_hashi_index(long key, long size) { long x; x = (key * (long long)97)%size; // make one multiplier a (long long) to avoid if (x<0) x+= size; // int overflow and abort if compield with -ftrapv return x; } GB_HASHI *GBS_create_hashi(long user_size) { long size = GBS_get_a_prime(user_size); // use next prime number for hash size struct gbs_hashi_struct *hs = (struct gbs_hashi_struct *)GB_calloc(sizeof(struct gbs_hashi_struct),1); hs->size = size; hs->entries = (struct gbs_hashi_entry **)GB_calloc(sizeof(struct gbs_hashi_entry *),(size_t)size); return hs; } long GBS_read_hashi(GB_HASHI *hs,long key) { struct gbs_hashi_entry *e; long i = gbs_hashi_index(key,hs->size); for(e = hs->entries[i]; e; e = e->next) { if (e->key==key) return e->val; } return 0; } long GBS_write_hashi(GB_HASHI *hs,long key,long val) { struct gbs_hashi_entry *e; long i2; long i = gbs_hashi_index(key,hs->size); if (!val) { struct gbs_hashi_entry *oe; oe = 0; for (e = hs->entries[i]; e; e = e->next) { if (e->key == key) { if (oe) { oe->next = e->next; } else { hs->entries[i] = e->next; } gbm_free_mem((char *) e, sizeof(struct gbs_hashi_entry),GBM_HASH_INDEX); return 0; } oe = e; } printf("free %lx not found\n",(long)e); return 0; } for(e=hs->entries[i];e;e=e->next) { if (e->key==key) { i2 = e->val; e->val = val; return i2; } } e = (struct gbs_hashi_entry *)gbm_get_mem(sizeof(struct gbs_hashi_entry),GBM_HASH_INDEX); e->next = hs->entries[i]; e->key = key; e->val = val; hs->entries[i] = e; return 0; } void GBS_free_hashi(GB_HASHI *hs) { long i; struct gbs_hashi_entry *e,*ee; long e2 = hs->size; for (i=0;ientries[i];e;e=ee) { ee = e->next; gbm_free_mem((char *)e,sizeof(struct gbs_hashi_entry),GBM_HASH_INDEX); } } free ((char *)hs->entries); free ((char *)hs); } /******************************************************************************************** Cache Cache Cache ********************************************************************************************/ void gb_init_cache(GB_MAIN_TYPE *Main){ int i; if (Main->cache.entries) return; Main->cache.entries = (struct gb_cache_entry_struct *)GB_calloc(sizeof(struct gb_cache_entry_struct), GB_MAX_CACHED_ENTRIES); Main->cache.max_data_size = GB_TOTAL_CACHE_SIZE; Main->cache.max_entries = GB_MAX_CACHED_ENTRIES; for (i=0;icache.entries[i].next = i+1; } Main->cache.firstfree_entry = 1; } char *gb_read_cache(GBDATA *gbd) { GB_MAIN_TYPE *Main; struct gb_cache_struct *cs; long i; long n,p; if (!(i=gbd->cache_index)) return 0; Main = GB_MAIN(gbd); cs = &Main->cache; n = cs->entries[i].next; p = cs->entries[i].prev; /* remove entry from list */ if (i == cs->newest_entry) cs->newest_entry = n; if (i == cs->oldest_entry) cs->oldest_entry = p; cs->entries[n].prev = p; cs->entries[p].next = n; /* check validity */ if (GB_GET_EXT_UPDATE_DATE(gbd) > cs->entries[i].clock) { freeset(cs->entries[i].data, NULL); cs->sum_data_size -= cs->entries[i].sizeof_data; gbd->cache_index = 0; /* insert deleted entry in free list */ cs->entries[i].next = cs->firstfree_entry; cs->firstfree_entry = i; return 0; } /* insert entry on top of list */ cs->entries[i].next = cs->newest_entry; cs->entries[cs->newest_entry].prev = i; cs->newest_entry = i; cs->entries[i].prev = 0; if (!cs->oldest_entry) cs->oldest_entry = i; return cs->entries[i].data; } void *gb_free_cache(GB_MAIN_TYPE *Main, GBDATA *gbd) { struct gb_cache_struct *cs; long i; long n,p; if (!(i=gbd->cache_index)) return 0; cs = &Main->cache; n = cs->entries[i].next; p = cs->entries[i].prev; /* remove entry from list */ if (i == cs->newest_entry) cs->newest_entry = n; if (i == cs->oldest_entry) cs->oldest_entry = p; cs->entries[n].prev = p; cs->entries[p].next = n; /* free cache */ freeset(cs->entries[i].data, NULL); cs->sum_data_size -= cs->entries[i].sizeof_data; gbd->cache_index = 0; /* insert deleted entry in free list */ cs->entries[i].next = cs->firstfree_entry; cs->firstfree_entry = i; return 0; } char *delete_old_cache_entries(struct gb_cache_struct *cs, long needed_size, long max_data_size) /* call with max_data_size==0 to flush cache */ { long n,p; long i; char *data = 0; while ( ( (!cs->firstfree_entry) || ( needed_size + cs->sum_data_size >= max_data_size)) && cs->oldest_entry) { i = cs->oldest_entry; n = cs->entries[i].next; p = cs->entries[i].prev; /* remove entry from list */ if (i == cs->newest_entry) cs->newest_entry = n; if (i == cs->oldest_entry) cs->oldest_entry = p; cs->entries[n].prev = p; cs->entries[p].next = n; /* insert deleted entry in free list */ cs->entries[i].gbd->cache_index = 0; cs->entries[i].next = cs->firstfree_entry; cs->firstfree_entry = i; /* delete all unused memorys */ if (data || ( needed_size != cs->entries[i].sizeof_data) ) { free(cs->entries[i].data); }else{ data = cs->entries[i].data; } cs->sum_data_size -= cs->entries[i].sizeof_data; cs->entries[i].data = 0; } return data; } char *gb_flush_cache(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); struct gb_cache_struct *cs = &Main->cache; delete_old_cache_entries(cs, 0, 0); return 0; } char *gb_alloc_cache_index(GBDATA *gbd,long size) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); struct gb_cache_struct *cs = &Main->cache; long i; char *data = 0; data = delete_old_cache_entries(cs, size, cs->max_data_size); /* delete enough old memory */ i = cs->firstfree_entry; if (!i) { GB_internal_error("internal cache error"); return 0; } /* get free element */ cs->firstfree_entry = cs->entries[i].next; /* insert it on top of used list */ cs->entries[i].next = cs->newest_entry; cs->entries[cs->newest_entry].prev = i; cs->newest_entry = i; cs->entries[i].prev = 0; if (!cs->oldest_entry) cs->oldest_entry = i; /* create data */ cs->sum_data_size += size; if (!data) data = (char *) malloc((int)size); cs->entries[i].sizeof_data = (int)size; cs->entries[i].data = data; cs->entries[i].gbd = gbd; gbd->cache_index = (short)i; return data; } char *GB_set_cache_size(GBDATA *gbd, long size){ GB_MAIN(gbd)->cache.max_data_size = size; return 0; } ./arbsrc_9167/ARBDB/adhashtools.c0000644012664100000130000000473611440743000016431 0ustar arb_buildcoders/* =============================================================== */ /* */ /* File : adhashtools.c */ /* Purpose : convenience functions for hashes */ /* */ /* Coded by Ralf Westram (coder@reallysoft.de) in July 2007 */ /* Institute of Microbiology (Technical University Munich) */ /* http://www.arb-home.de/ */ /* */ /* =============================================================== */ #include #include "adlocal.h" #include "arbdbt.h" #define ITEMS2HASHSIZE(entries) (2*(entries)) /* hash size = 2 * number of entries */ long GBT_get_species_hash_size(GBDATA *gb_main) { return ITEMS2HASHSIZE(GBT_get_species_count(gb_main)); } void GBT_add_item_to_hash(GBDATA *gb_item, GB_HASH *item_hash) { GBS_write_hash(item_hash, GBT_read_name(gb_item), (long)gb_item); } typedef GBDATA *(*item_iterator)(GBDATA *); static GB_HASH *create_item_hash(long size, GBDATA *gb_start, item_iterator getFirst, item_iterator getNext) { GB_HASH *item_hash = GBS_create_hash(size, GB_IGNORE_CASE); GBDATA *gb_item; for (gb_item = getFirst(gb_start); gb_item; gb_item = getNext(gb_item)) { GBT_add_item_to_hash(gb_item, item_hash); } return item_hash; } GB_HASH *GBT_create_species_hash(GBDATA *gb_main) { return create_item_hash(GBT_get_species_hash_size(gb_main), gb_main, GBT_first_species, GBT_next_species); } GB_HASH *GBT_create_species_hash_sized(GBDATA *gb_main, long species_count) { return create_item_hash(ITEMS2HASHSIZE(species_count), gb_main, GBT_first_species, GBT_next_species); } GB_HASH *GBT_create_marked_species_hash(GBDATA *gb_main) { return create_item_hash(GBT_get_species_hash_size(gb_main), gb_main, GBT_first_marked_species, GBT_next_marked_species); } GB_HASH *GBT_create_SAI_hash(GBDATA *gb_main) { return create_item_hash(ITEMS2HASHSIZE(GBT_get_SAI_count(gb_main)), gb_main, GBT_first_SAI, GBT_next_SAI); } GB_HASH *GBT_create_organism_hash(GBDATA *gb_main) { return create_item_hash(ITEMS2HASHSIZE(GEN_get_organism_count(gb_main)), gb_main, GEN_first_organism, GEN_next_organism); } ./arbsrc_9167/ARBDB/adindex.c0000644012664100000130000006674411440743000015543 0ustar arb_buildcoders#include #include #include #include #include "adlocal.h" /*#include "arbdb.h"*/ #include "adlundo.h" #define GB_INDEX_FIND(gbf,ifs,quark) \ for (ifs = GBCONTAINER_IFS(gbf); ifs; ifs = GB_INDEX_FILES_NEXT(ifs)) { \ if (ifs->key == quark) break; \ } /* write field in index table */ char *gb_index_check_in(GBDATA *gbd) { struct gb_index_files_struct *ifs; GBQUARK quark; unsigned long index; GB_CSTR data; GBCONTAINER *gfather; gfather = GB_GRANDPA(gbd); if (!gfather) return 0; quark = GB_KEY_QUARK(gbd); GB_INDEX_FIND(gfather,ifs,quark); if (!ifs) return 0; /* This key is not indexed */ if (GB_TYPE(gbd) != GB_STRING && GB_TYPE(gbd) != GB_LINK) return 0; if (gbd->flags2.is_indexed) { GB_internal_error("Double checked in"); return 0; } data = GB_read_char_pntr(gbd); GB_CALC_HASH_INDEX(data,index,ifs->hash_table_size, ifs->case_sens); ifs->nr_of_elements++; { struct gb_if_entries *ifes; GB_REL_IFES *entries = GB_INDEX_FILES_ENTRIES(ifs); ifes = (struct gb_if_entries *)gbm_get_mem(sizeof(struct gb_if_entries), GB_GBM_INDEX(gbd)); SET_GB_IF_ENTRIES_NEXT(ifes,GB_ENTRIES_ENTRY(entries,index)); SET_GB_IF_ENTRIES_GBD(ifes,gbd); SET_GB_ENTRIES_ENTRY(entries,index,ifes); } gbd->flags2.tisa_index = 1; gbd->flags2.is_indexed = 1; return 0; } /* remove entry from index table */ void gb_index_check_out(GBDATA *gbd) { if (gbd->flags2.is_indexed) { GB_ERROR error = 0; GBCONTAINER *gfather = GB_GRANDPA(gbd); GBQUARK quark = GB_KEY_QUARK(gbd); struct gb_index_files_struct *ifs; gbd->flags2.is_indexed = 0; GB_INDEX_FIND(gfather, ifs, quark); if (!ifs) error = "key is not indexed"; else { error = GB_push_transaction(gbd); if (!error) { GB_CSTR data = GB_read_char_pntr(gbd); if (!data) { error = GBS_global_string("can't read key value (%s)", GB_await_error()); } else { unsigned long index; GB_CALC_HASH_INDEX(data, index, ifs->hash_table_size, ifs->case_sens); struct gb_if_entries *ifes2 = 0; GB_REL_IFES *entries = GB_INDEX_FILES_ENTRIES(ifs); struct gb_if_entries *ifes; for (ifes = GB_ENTRIES_ENTRY(entries,index); ifes; ifes = GB_IF_ENTRIES_NEXT(ifes)) { if (gbd == GB_IF_ENTRIES_GBD(ifes)) { /* entry found */ if (ifes2) SET_GB_IF_ENTRIES_NEXT(ifes2, GB_IF_ENTRIES_NEXT(ifes)); else SET_GB_ENTRIES_ENTRY(entries,index,GB_IF_ENTRIES_NEXT(ifes)); ifs->nr_of_elements--; gbm_free_mem((char *)ifes, sizeof(struct gb_if_entries), GB_GBM_INDEX(gbd)); break; } ifes2 = ifes; } } } error = GB_end_transaction(gbd, error); } if (error) { error = GBS_global_string("gb_index_check_out failed for key '%s' (%s)\n", GB_KEY(gbd), error); GB_internal_error(error); } } } GB_ERROR GB_create_index(GBDATA *gbd, const char *key, GB_CASE case_sens, long estimated_size) { /* Create an index for a database. * Uses hash tables - collisions are avoided by using linked lists. */ GB_ERROR error = 0; if (GB_TYPE(gbd) != GB_DB) { error = GB_export_error("GB_create_index used on non CONTAINER Type"); } else if (GB_read_clients(gbd)<0) { error = GB_export_error("No index tables in DB clients allowed"); } else { GBCONTAINER *gbc = (GBCONTAINER *)gbd; GBQUARK key_quark = GB_key_2_quark(gbd,key); struct gb_index_files_struct *ifs; GB_INDEX_FIND(gbc,ifs,key_quark); if (!ifs) { /* if not already have index (e.g. if fast-loaded) */ GBDATA *gbf; ifs = (struct gb_index_files_struct *)GB_calloc(sizeof(struct gb_index_files_struct),1); SET_GB_INDEX_FILES_NEXT(ifs,GBCONTAINER_IFS(gbc)); SET_GBCONTAINER_IFS(gbc,ifs); ifs->key = key_quark; ifs->hash_table_size = GBS_get_a_prime(estimated_size); ifs->nr_of_elements = 0; ifs->case_sens = case_sens; SET_GB_INDEX_FILES_ENTRIES(ifs, (struct gb_if_entries **)GB_calloc(sizeof(void *),(int)ifs->hash_table_size)); for (gbf = GB_find_sub_by_quark(gbd,-1,0); gbf; gbf = GB_find_sub_by_quark(gbd,-1,gbf)) { if (GB_TYPE(gbf) == GB_DB) { GBDATA *gb2; for (gb2 = GB_find_sub_by_quark(gbf,key_quark,0); gb2; gb2 = GB_find_sub_by_quark(gbf,key_quark,gb2)) { if (GB_TYPE(gb2) != GB_STRING && GB_TYPE(gb2) != GB_LINK) continue; gb_index_check_in(gb2); } } } } } return error; } #if defined(DEBUG) NOT4PERL void GB_dump_indices(GBDATA *gbd) { // dump indices of container char *db_path = strdup(GB_get_db_path(gbd)); if (GB_TYPE(gbd) != GB_DB) { fprintf(stderr, "'%s' (%s) is no container.\n", db_path, GB_get_type_name(gbd)); } else { struct gb_index_files_struct *ifs; int index_count = 0; GBCONTAINER *gbc = (GBCONTAINER*)gbd; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbc); for (ifs = GBCONTAINER_IFS(gbc); ifs; ifs = GB_INDEX_FILES_NEXT(ifs)) { index_count++; } if (index_count == 0) { fprintf(stderr, "Container '%s' has no index.\n", db_path); } else { int pass; fprintf(stderr, "Indices for '%s':\n", db_path); for (pass = 1; pass <= 2; pass++) { if (pass == 2) { fprintf(stderr, "\nDetailed index contents:\n\n"); } index_count = 0; for (ifs = GBCONTAINER_IFS(gbc); ifs; ifs = GB_INDEX_FILES_NEXT(ifs)) { fprintf(stderr, "* Index %i for key=%s (%i), entries=%li, %s\n", index_count, Main->keys[ifs->key].key, ifs->key, ifs->nr_of_elements, ifs->case_sens == GB_MIND_CASE ? "Case sensitive" : (ifs->case_sens == GB_IGNORE_CASE ? "Case insensitive" : "") ); if (pass == 2) { struct gb_if_entries *ifes; int index; fprintf(stderr, "\n"); for (index = 0; indexhash_table_size; index++) { for (ifes = GB_ENTRIES_ENTRY(GB_INDEX_FILES_ENTRIES(ifs),index); ifes; ifes = GB_IF_ENTRIES_NEXT(ifes)) { GBDATA *igbd = GB_IF_ENTRIES_GBD(ifes); const char *data = GB_read_char_pntr(igbd); fprintf(stderr, " - '%s' (@idx=%i)\n", data, index); } } fprintf(stderr, "\n"); } index_count++; } } } } free(db_path); } #endif /* DEBUG */ /* find an entry in an hash table */ GBDATA *gb_index_find(GBCONTAINER *gbf, struct gb_index_files_struct *ifs, GBQUARK quark, const char *val, GB_CASE case_sens, int after_index){ unsigned long index; GB_CSTR data; struct gb_if_entries *ifes; GBDATA *result = 0; long min_index; if (!ifs) { GB_INDEX_FIND(gbf,ifs,quark); if (!ifs) { GB_internal_error("gb_index_find called, but no index table found"); return 0; } } if (ifs->case_sens != case_sens) { GB_internal_error("case mismatch between index and search"); return 0; } GB_CALC_HASH_INDEX(val, index, ifs->hash_table_size, ifs->case_sens); min_index = gbf->d.nheader; for ( ifes = GB_ENTRIES_ENTRY(GB_INDEX_FILES_ENTRIES(ifs),index); ifes; ifes = GB_IF_ENTRIES_NEXT(ifes)) { GBDATA *igbd = GB_IF_ENTRIES_GBD(ifes); GBCONTAINER *ifather = GB_FATHER(igbd); if ( ifather->index < after_index) continue; if ( ifather->index >= min_index) continue; data = GB_read_char_pntr(igbd); if (GBS_string_matches(data, val, case_sens)) { /* entry found */ result = igbd; min_index = ifather->index; } } return result; } /***************************************************************************************** UNDO functions ******************************************************************************************/ /* How they work: There are three undo stacks: GB_UNDO_NONE no undo GB_UNDO_UNDO normal undo stack GB_UNDO_REDO redo stack */ /***************************************************************************************** UNDO internal functions ******************************************************************************************/ char *gb_set_undo_type(GBDATA *gb_main, GB_UNDO_TYPE type){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); Main->undo_type = type; return 0; } /** mallocs the main structures to control undo/redo */ void g_b_add_size_to_undo_entry(struct g_b_undo_entry_struct *ue, long size){ ue->sizeof_this += size; /* undo entry */ ue->father->sizeof_this += size; /* one undo */ ue->father->father->sizeof_this += size; /* all undos */ } struct g_b_undo_entry_struct *new_g_b_undo_entry_struct(struct g_b_undo_struct *u){ struct g_b_undo_entry_struct *ue = (struct g_b_undo_entry_struct *)gbm_get_mem( sizeof(struct g_b_undo_entry_struct), GBM_UNDO); ue->next = u->entries; ue->father = u; u->entries = ue; g_b_add_size_to_undo_entry(ue,sizeof(struct g_b_undo_entry_struct)); return ue; } void gb_init_undo_stack(struct gb_main_type *Main){ Main->undo = (struct g_b_undo_mgr_struct *)GB_calloc(sizeof(struct g_b_undo_mgr_struct),1); Main->undo->max_size_of_all_undos = GB_MAX_UNDO_SIZE; Main->undo->u = (struct g_b_undo_header_struct *) GB_calloc(sizeof(struct g_b_undo_header_struct),1); Main->undo->r = (struct g_b_undo_header_struct *) GB_calloc(sizeof(struct g_b_undo_header_struct),1); } void delete_g_b_undo_entry_struct(struct g_b_undo_entry_struct *entry){ switch (entry->type) { case GB_UNDO_ENTRY_TYPE_MODIFY: case GB_UNDO_ENTRY_TYPE_MODIFY_ARRAY: { if (entry->d.ts) { gb_del_ref_gb_transaction_save(entry->d.ts); } } default: break; } gbm_free_mem((char *)entry,sizeof (struct g_b_undo_entry_struct),GBM_UNDO); } void delete_g_b_undo_struct(struct g_b_undo_struct *u){ struct g_b_undo_entry_struct *a,*next; for (a = u->entries; a; a = next){ next = a->next; delete_g_b_undo_entry_struct(a); } free((char *)u); } void delete_g_b_undo_header_struct(struct g_b_undo_header_struct *uh){ struct g_b_undo_struct *a,*next=0; for ( a= uh->stack; a; a = next){ next = a->next; delete_g_b_undo_struct(a); } free((char *)uh); } /******************** check size *****************************/ char *g_b_check_undo_size2(struct g_b_undo_header_struct *uhs, long size, long max_cnt){ long csize = 0; long ccnt = 0; struct g_b_undo_struct *us; for (us = uhs->stack; us && us->next ; us = us->next){ csize += us->sizeof_this; ccnt ++; if ( ( (csize + us->next->sizeof_this) > size) || (ccnt >= max_cnt ) ){ /* delete the rest */ struct g_b_undo_struct *a,*next=0; for ( a = us->next; a; a = next){ next = a->next; delete_g_b_undo_struct(a); } us->next = 0; uhs->sizeof_this = csize; break; } } return 0; } char *g_b_check_undo_size(GB_MAIN_TYPE *Main){ char *error = 0; long maxsize = Main->undo->max_size_of_all_undos; error = g_b_check_undo_size2(Main->undo->u, maxsize/2,GB_MAX_UNDO_CNT); if (error) return error; error = g_b_check_undo_size2(Main->undo->r, maxsize/2,GB_MAX_REDO_CNT); if (error) return error; return 0; } void gb_free_undo_stack(struct gb_main_type *Main){ delete_g_b_undo_header_struct(Main->undo->u); delete_g_b_undo_header_struct(Main->undo->r); free((char *)Main->undo); } /***************************************************************************************** real undo (redo) ******************************************************************************************/ GB_ERROR g_b_undo_entry(GB_MAIN_TYPE *Main,struct g_b_undo_entry_struct *ue){ GB_ERROR error = 0; Main = Main; switch (ue->type) { case GB_UNDO_ENTRY_TYPE_CREATED: error = GB_delete(ue->source); break; case GB_UNDO_ENTRY_TYPE_DELETED: { GBDATA *gbd = ue->d.gs.gbd; int type = GB_TYPE(gbd); if (type == GB_DB) { gbd = (GBDATA *)gb_make_pre_defined_container((GBCONTAINER *)ue->source,(GBCONTAINER *)gbd,-1, ue->d.gs.key); }else{ gbd = gb_make_pre_defined_entry((GBCONTAINER *)ue->source,gbd,-1, ue->d.gs.key); } GB_ARRAY_FLAGS(gbd).flags = ue->flag; gb_touch_header(GB_FATHER(gbd)); gb_touch_entry((GBDATA *)gbd,gb_created); } break; case GB_UNDO_ENTRY_TYPE_MODIFY_ARRAY: case GB_UNDO_ENTRY_TYPE_MODIFY: { GBDATA *gbd = ue->source; int type = GB_TYPE(gbd); if (type == GB_DB) { }else{ gb_save_extern_data_in_ts(gbd); /* check out and free string */ if (ue->d.ts) { // nothing to undo (e.g. if undoing GB_touch) gbd->flags = ue->d.ts->flags; gbd->flags2.extern_data = ue->d.ts->flags2.extern_data; memcpy(&gbd->info,&ue->d.ts->info,sizeof(gbd->info)); /* restore old information */ if (type >= GB_BITS) { if (gbd->flags2.extern_data){ SET_GB_EXTERN_DATA_DATA(gbd->info.ex, ue->d.ts->info.ex.data); /* set relative pointers correctly */ } gb_del_ref_and_extern_gb_transaction_save(ue->d.ts); ue->d.ts = 0; GB_INDEX_CHECK_IN(gbd); } } } { struct gb_header_flags *pflags = &GB_ARRAY_FLAGS(gbd); if (pflags->flags != (unsigned)ue->flag){ GBCONTAINER *gb_father = GB_FATHER(gbd); gbd->flags.saved_flags = pflags->flags; pflags->flags = ue->flag; if (GB_FATHER(gb_father)){ gb_touch_header(gb_father); /* dont touch father of main */ } } } gb_touch_entry(gbd,gb_changed); } break; default: GB_internal_error("Undo stack corrupt:!!!"); error = GB_export_error("shit 34345"); } return error; } GB_ERROR g_b_undo(GB_MAIN_TYPE *Main, GBDATA *gb_main, struct g_b_undo_header_struct *uh){ GB_ERROR error = 0; struct g_b_undo_struct *u; struct g_b_undo_entry_struct *ue,*next; if (!uh->stack) return GB_export_error("Sorry no more undos/redos available"); GB_begin_transaction(gb_main); u=uh->stack; for (ue=u->entries; ue; ue = next) { next = ue->next; error = g_b_undo_entry(Main,ue); delete_g_b_undo_entry_struct(ue); u->entries = next; if (error) break; } uh->sizeof_this -= u->sizeof_this; /* remove undo from list */ uh->stack = u->next; delete_g_b_undo_struct(u); return GB_end_transaction(gb_main, error); } GB_CSTR g_b_read_undo_key_pntr(GB_MAIN_TYPE *Main, struct g_b_undo_entry_struct *ue){ return Main->keys[ue->d.gs.key].key; } char *g_b_undo_info(GB_MAIN_TYPE *Main, GBDATA *gb_main, struct g_b_undo_header_struct *uh){ void *res = GBS_stropen(1024); struct g_b_undo_struct *u; struct g_b_undo_entry_struct *ue; GBUSE(Main);GBUSE(gb_main); u=uh->stack; if (!u) return strdup("No more undos available"); for (ue=u->entries; ue; ue = ue->next) { switch (ue->type) { case GB_UNDO_ENTRY_TYPE_CREATED: GBS_strcat(res,"Delete new entry: "); GBS_strcat(res,gb_read_key_pntr(ue->source)); break; case GB_UNDO_ENTRY_TYPE_DELETED: GBS_strcat(res,"Rebuild deleted entry: "); GBS_strcat(res,g_b_read_undo_key_pntr(Main,ue)); break; case GB_UNDO_ENTRY_TYPE_MODIFY_ARRAY: case GB_UNDO_ENTRY_TYPE_MODIFY: GBS_strcat(res,"Undo modified entry: "); GBS_strcat(res,gb_read_key_pntr(ue->source)); break; default: break; } GBS_chrcat(res,'\n'); } return GBS_strclose(res); } /***************************************************************************************** UNDO exported functions (to ARBDB) ******************************************************************************************/ /** start a new undoable transaction */ char *gb_set_undo_sync(GBDATA *gb_main) { GB_MAIN_TYPE *Main = GB_MAIN(gb_main); char *error = g_b_check_undo_size(Main); struct g_b_undo_header_struct *uhs; if (error) return error; switch (Main->requested_undo_type) { /* init the target undo stack */ case GB_UNDO_UNDO: /* that will undo but delete all redos */ uhs = Main->undo->u; break; case GB_UNDO_UNDO_REDO: uhs = Main->undo->u; break; case GB_UNDO_REDO: uhs = Main->undo->r; break; case GB_UNDO_KILL: gb_free_all_undos(gb_main); default: uhs = 0; } if (uhs) { struct g_b_undo_struct *u = (struct g_b_undo_struct *) GB_calloc(sizeof(struct g_b_undo_struct) , 1); u->next = uhs->stack; u->father = uhs; uhs->stack = u; Main->undo->valid_u = u; } return gb_set_undo_type(gb_main,Main->requested_undo_type); } /* Remove all existing undos/redos */ char *gb_free_all_undos(GBDATA *gb_main){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); struct g_b_undo_struct *a,*next; for ( a= Main->undo->r->stack; a; a = next){ next = a->next; delete_g_b_undo_struct(a); } Main->undo->r->stack = 0; Main->undo->r->sizeof_this = 0; for ( a= Main->undo->u->stack; a; a = next){ next = a->next; delete_g_b_undo_struct(a); } Main->undo->u->stack = 0; Main->undo->u->sizeof_this = 0; return 0; } /* called to finish an undoable section, called at end of gb_commit_transaction */ char *gb_disable_undo(GBDATA *gb_main){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); struct g_b_undo_struct *u = Main->undo->valid_u; if (!u) return 0; if (!u->entries){ /* nothing to undo, just a read transaction */ u->father->stack = u->next; delete_g_b_undo_struct(u); }else{ if (Main->requested_undo_type == GB_UNDO_UNDO) { /* remove all redos*/ struct g_b_undo_struct *a,*next; for ( a= Main->undo->r->stack; a; a = next){ next = a->next; delete_g_b_undo_struct(a); } Main->undo->r->stack = 0; Main->undo->r->sizeof_this = 0; } } Main->undo->valid_u = 0; return gb_set_undo_type(gb_main,GB_UNDO_NONE); } void gb_check_in_undo_create(GB_MAIN_TYPE *Main,GBDATA *gbd){ struct g_b_undo_entry_struct *ue; if (!Main->undo->valid_u) return; ue = new_g_b_undo_entry_struct(Main->undo->valid_u); ue->type = GB_UNDO_ENTRY_TYPE_CREATED; ue->source = gbd; ue->gbm_index = GB_GBM_INDEX(gbd); ue->flag = 0; } void gb_check_in_undo_modify(GB_MAIN_TYPE *Main,GBDATA *gbd){ long type = GB_TYPE(gbd); struct g_b_undo_entry_struct *ue; struct gb_transaction_save *old; if (!Main->undo->valid_u){ GB_FREE_TRANSACTION_SAVE(gbd); return; } old = GB_GET_EXT_OLD_DATA(gbd); ue = new_g_b_undo_entry_struct(Main->undo->valid_u); ue->source = gbd; ue->gbm_index = GB_GBM_INDEX(gbd); ue->type = GB_UNDO_ENTRY_TYPE_MODIFY; ue->flag = gbd->flags.saved_flags; if (type != GB_DB) { ue->d.ts = old; if (old) { gb_add_ref_gb_transaction_save(old); if (type >= GB_BITS && old->flags2.extern_data && old->info.ex.data ) { ue->type = GB_UNDO_ENTRY_TYPE_MODIFY_ARRAY; /* move external array from ts to undo entry struct */ g_b_add_size_to_undo_entry(ue,old->info.ex.memsize); } } } } #if defined(DEVEL_RALF) #warning change param for gb_check_in_undo_delete to GBDATA ** #endif /* DEVEL_RALF */ void gb_check_in_undo_delete(GB_MAIN_TYPE *Main,GBDATA *gbd, int deep){ long type = GB_TYPE(gbd); struct g_b_undo_entry_struct *ue; if (!Main->undo->valid_u){ gb_delete_entry(&gbd); return; } if (type == GB_DB) { int index; GBDATA *gbd2; GBCONTAINER *gbc = ((GBCONTAINER *) gbd); for (index = 0; (index < gbc->d.nheader); index++) { if (( gbd2 = GBCONTAINER_ELEM(gbc,index) )) { gb_check_in_undo_delete(Main,gbd2,deep+1); } }; }else{ GB_INDEX_CHECK_OUT(gbd); gbd->flags2.tisa_index = 0; /* never check in again */ } gb_abort_entry(gbd); /* get old version */ ue = new_g_b_undo_entry_struct(Main->undo->valid_u); ue->type = GB_UNDO_ENTRY_TYPE_DELETED; ue->source = (GBDATA *)GB_FATHER(gbd); ue->gbm_index = GB_GBM_INDEX(gbd); ue->flag = GB_ARRAY_FLAGS(gbd).flags; ue->d.gs.gbd = gbd; ue->d.gs.key = GB_KEY_QUARK(gbd); gb_pre_delete_entry(gbd); /* get the core of the entry */ if (type == GB_DB) { g_b_add_size_to_undo_entry(ue,sizeof(GBCONTAINER)); }else{ if (type >= GB_BITS && gbd->flags2.extern_data) { /* we have copied the data structures, now mark the old as deleted !!! */ g_b_add_size_to_undo_entry(ue,GB_GETMEMSIZE(gbd)); } g_b_add_size_to_undo_entry(ue,sizeof(GBDATA)); } } /***************************************************************************************** UNDO exported functions (to USER) ******************************************************************************************/ /** define how to undo the next items, this function should be called just before opening a transaction, otherwise it's affect will be delayed posissible types are: GB_UNDO_UNDO enable undo * GB_UNDO_NONE disable undo * GB_UNDO_KILL disable undo and remove old undos !! */ GB_ERROR GB_request_undo_type(GBDATA *gb_main, GB_UNDO_TYPE type){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); Main->requested_undo_type = type; if (!Main->local_mode) { if (type == GB_UNDO_NONE || type == GB_UNDO_KILL) { return gbcmc_send_undo_commands(gb_main,_GBCMC_UNDOCOM_REQUEST_NOUNDO); }else{ return gbcmc_send_undo_commands(gb_main,_GBCMC_UNDOCOM_REQUEST_UNDO); } } return 0; } GB_UNDO_TYPE GB_get_requested_undo_type(GBDATA *gb_main){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); return Main->requested_undo_type; } /** undo/redo the last transaction */ GB_ERROR GB_undo(GBDATA *gb_main,GB_UNDO_TYPE type) { GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GB_UNDO_TYPE old_type = GB_get_requested_undo_type(gb_main); GB_ERROR error = 0; if (!Main->local_mode) { switch (type) { case GB_UNDO_UNDO: return gbcmc_send_undo_commands(gb_main,_GBCMC_UNDOCOM_UNDO); case GB_UNDO_REDO: return gbcmc_send_undo_commands(gb_main,_GBCMC_UNDOCOM_REDO); default: GB_internal_error("unknown undo type in GB_undo"); return GB_export_error("Internal UNDO error"); } } switch (type){ case GB_UNDO_UNDO: GB_request_undo_type(gb_main,GB_UNDO_REDO); error = g_b_undo(Main,gb_main,Main->undo->u); GB_request_undo_type(gb_main,old_type); break; case GB_UNDO_REDO: GB_request_undo_type(gb_main,GB_UNDO_UNDO_REDO); error = g_b_undo(Main,gb_main,Main->undo->r); GB_request_undo_type(gb_main,old_type); break; default: error = GB_export_error("GB_undo: unknown undo type specified"); } return error; } /** get some information about the next undo */ char *GB_undo_info(GBDATA *gb_main,GB_UNDO_TYPE type) { GB_MAIN_TYPE *Main = GB_MAIN(gb_main); if (!Main->local_mode) { switch (type) { case GB_UNDO_UNDO: return gbcmc_send_undo_info_commands(gb_main,_GBCMC_UNDOCOM_INFO_UNDO); case GB_UNDO_REDO: return gbcmc_send_undo_info_commands(gb_main,_GBCMC_UNDOCOM_INFO_REDO); default: GB_internal_error("unknown undo type in GB_undo"); GB_export_error("Internal UNDO error"); return 0; } } switch (type){ case GB_UNDO_UNDO: return g_b_undo_info(Main,gb_main,Main->undo->u); case GB_UNDO_REDO: return g_b_undo_info(Main,gb_main,Main->undo->r); default: GB_export_error("GB_undo_info: unknown undo type specified"); return 0; } } /** set the maxmimum memory used for undoing */ GB_ERROR GB_set_undo_mem(GBDATA *gbd, long memsize){ GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (memsize < _GBCMC_UNDOCOM_SET_MEM){ return GB_export_errorf("Not enough UNDO memory specified: should be more than %i", _GBCMC_UNDOCOM_SET_MEM); } Main->undo->max_size_of_all_undos = memsize; if (!Main->local_mode) { return gbcmc_send_undo_commands(gbd,(enum gb_undo_commands)memsize); } g_b_check_undo_size(Main); return 0; } ./arbsrc_9167/ARBDB/aditem.c0000644012664100000130000004026511440743000015360 0ustar arb_buildcoders/* ============================================================ */ /* */ /* File : aditem.c */ /* Purpose : item functions */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* www.arb-home.de */ /* */ /* ============================================================ */ /* items are e.g. species, SAIs, genes, etc */ #include #include #include #include GBDATA *GBT_find_or_create_item_rel_item_data(GBDATA *gb_item_data, const char *itemname, const char *id_field, const char *id, GB_BOOL markCreated) { /* Search for a item with field 'id_field' set to given 'id' (id compare is case-insensitive) * If item does not exist, create it. * Newly created items are automatically marked, if 'markCreated' is GB_TRUE * items may be: species, genes, SAIs, ... */ GBDATA *gb_item = 0; GB_ERROR error = 0; if (!gb_item_data) error = "No container"; else { gb_item = GBT_find_item_rel_item_data(gb_item_data, id_field, id); if (!gb_item) { error = GB_push_transaction(gb_item_data); if (!error) { gb_item = GB_create_container(gb_item_data, itemname); // create a new item if (!gb_item) error = GB_await_error(); else { error = GBT_write_string(gb_item, id_field, id); // write item identifier if (!error && markCreated) error = GB_write_flag(gb_item, 1); // mark generated item } } error = GB_end_transaction(gb_item_data, error); } } if (!gb_item && !error) error = GB_await_error(); if (error) { gb_item = 0; GB_export_errorf("Can't create %s '%s': %s", itemname, id, error); } return gb_item; } GBDATA *GBT_find_or_create_species_rel_species_data(GBDATA *gb_species_data, const char *name) { return GBT_find_or_create_item_rel_item_data(gb_species_data, "species", "name", name, GB_TRUE); } GBDATA *GBT_find_or_create_species(GBDATA *gb_main, const char *name) { return GBT_find_or_create_species_rel_species_data(GBT_get_species_data(gb_main), name); } GBDATA *GBT_find_or_create_SAI(GBDATA *gb_main,const char *name) { /* Search for an SAI, when SAI does not exist, create it */ return GBT_find_or_create_item_rel_item_data(GBT_get_SAI_data(gb_main), "extended", "name", name, GB_TRUE); } /******************************************************************************************** some simple find procedures ********************************************************************************************/ GBDATA *GBT_find_item_rel_item_data(GBDATA *gb_item_data, const char *id_field, const char *id_value) { // 'gb_item_data' is a container containing items // 'id_field' is a field containing a unique identifier for each item (e.g. 'name' for species) // // returns a pointer to an item with 'id_field' containing 'id_value' // or NULL (in this case an error MAY be exported) // // Note: If you expect the item to exist, use GBT_expect_item_rel_item_data! GBDATA *gb_item_id = GB_find_string(gb_item_data, id_field, id_value, GB_IGNORE_CASE, down_2_level); return gb_item_id ? GB_get_father(gb_item_id) : 0; } GBDATA *GBT_expect_item_rel_item_data(GBDATA *gb_item_data, const char *id_field, const char *id_value) { // like GBT_find_item_rel_item_data, but also exports an error if the item is not present GBDATA *gb_found = GBT_find_item_rel_item_data(gb_item_data, id_field, id_value); if (!gb_found && !GB_have_error()) { // item simply not exists GBDATA *gb_any = GB_find(gb_item_data, id_field, down_2_level); const char *itemname = gb_any ? GB_read_key_pntr(GB_get_father(gb_any)) : ""; GB_export_errorf("Could not find %s with %s '%s'", itemname, id_field, id_value); } return gb_found; } /* -------------------------------------------------------------------------------- */ GBDATA *GBT_get_species_data(GBDATA *gb_main) { return GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); } GBDATA *GBT_first_marked_species_rel_species_data(GBDATA *gb_species_data) { return GB_first_marked(gb_species_data,"species"); } GBDATA *GBT_first_marked_species(GBDATA *gb_main) { return GB_first_marked(GBT_get_species_data(gb_main), "species"); } GBDATA *GBT_next_marked_species(GBDATA *gb_species) { gb_assert(GB_has_key(gb_species, "species")); return GB_next_marked(gb_species,"species"); } GBDATA *GBT_first_species_rel_species_data(GBDATA *gb_species_data) { return GB_entry(gb_species_data,"species"); } GBDATA *GBT_first_species(GBDATA *gb_main) { return GB_entry(GBT_get_species_data(gb_main),"species"); } GBDATA *GBT_next_species(GBDATA *gb_species) { gb_assert(GB_has_key(gb_species, "species")); return GB_nextEntry(gb_species); } GBDATA *GBT_find_species_rel_species_data(GBDATA *gb_species_data,const char *name) { return GBT_find_item_rel_item_data(gb_species_data, "name", name); } GBDATA *GBT_find_species(GBDATA *gb_main, const char *name) { // Search for a species. // Return found species or NULL (in this case an error MAY be exported). // // Note: If you expect the species to exists, use GBT_expect_species! return GBT_find_item_rel_item_data(GBT_get_species_data(gb_main), "name", name); } GBDATA *GBT_expect_species(GBDATA *gb_main, const char *name) { // Returns an existing species or // NULL (in that case an error is exported) return GBT_expect_item_rel_item_data(GBT_get_species_data(gb_main), "name", name); } /* -------------------------------------------------------------------------------- */ GBDATA *GBT_get_SAI_data(GBDATA *gb_main) { return GB_search(gb_main, "extended_data", GB_CREATE_CONTAINER); } GBDATA *GBT_first_marked_SAI_rel_SAI_data(GBDATA *gb_sai_data) { return GB_first_marked(gb_sai_data, "extended"); } GBDATA *GBT_next_marked_SAI(GBDATA *gb_sai) { gb_assert(GB_has_key(gb_sai, "extended")); return GB_next_marked(gb_sai, "extended"); } /* Search SAIs */ GBDATA *GBT_first_SAI_rel_SAI_data(GBDATA *gb_sai_data) { return GB_entry(gb_sai_data, "extended"); } GBDATA *GBT_first_SAI(GBDATA *gb_main) { return GB_entry(GBT_get_SAI_data(gb_main),"extended"); } GBDATA *GBT_next_SAI(GBDATA *gb_sai) { gb_assert(GB_has_key(gb_sai, "extended")); return GB_nextEntry(gb_sai); } GBDATA *GBT_find_SAI_rel_SAI_data(GBDATA *gb_sai_data, const char *name) { return GBT_find_item_rel_item_data(gb_sai_data, "name", name); } GBDATA *GBT_find_SAI(GBDATA *gb_main, const char *name) { // Search for a SAI. // Return found SAI or NULL (in this case an error MAY be exported). // // Note: If you expect the SAI to exist, use GBT_expect_SAI! return GBT_find_item_rel_item_data(GBT_get_SAI_data(gb_main), "name", name); } GBDATA *GBT_expect_SAI(GBDATA *gb_main, const char *name) { // Returns an existing SAI or // NULL (in that case an error is exported) return GBT_expect_item_rel_item_data(GBT_get_SAI_data(gb_main), "name", name); } /* --------------------- */ /* count items */ long GBT_get_item_count(GBDATA *gb_parent_of_container, const char *item_container_name) { // returns elements stored in a container GBDATA *gb_item_data; long count = 0; GB_push_transaction(gb_parent_of_container); gb_item_data = GB_entry(gb_parent_of_container, item_container_name); if (gb_item_data) count = GB_number_of_subentries(gb_item_data); GB_pop_transaction(gb_parent_of_container); return count; } long GBT_get_species_count(GBDATA *gb_main) { return GBT_get_item_count(gb_main, "species_data"); } long GBT_get_SAI_count(GBDATA *gb_main) { return GBT_get_item_count(gb_main, "extended_data"); } /* -------------------------------------------------------------------------------- */ char *GBT_create_unique_item_identifier(GBDATA *gb_item_container, const char *id_field, const char *default_id) { // returns an identifier not used by items in 'gb_item_container' // 'id_field' is the entry that is used as identifier (e.g. 'name' for species) // 'default_id' will be suffixed with a number to generate a unique id // // Note: // * The resulting id may be longer than 8 characters // * This function is slow, so just use in extra-ordinary situations GBDATA *gb_item = GBT_find_item_rel_item_data(gb_item_container, id_field, default_id); char *unique_id; if (!gb_item) { unique_id = strdup(default_id); // default_id is unused } else { char *generated_id = malloc(strlen(default_id)+20); size_t min_num = 1; #define GENERATE_ID(num) sprintf(generated_id,"%s%zi", default_id, num); GENERATE_ID(min_num); gb_item = GBT_find_item_rel_item_data(gb_item_container, id_field, generated_id); if (gb_item) { size_t num_items = GB_number_of_subentries(gb_item_container); size_t max_num = 0; ad_assert(num_items); // otherwise deadlock below do { max_num += num_items; GENERATE_ID(max_num); gb_item = GBT_find_item_rel_item_data(gb_item_container, id_field, generated_id); } while (gb_item && max_num >= num_items); if (max_num1) { size_t mid = (min_num+max_num)/2; ad_assert(mid != min_num && mid != max_num); GENERATE_ID(mid); gb_item = GBT_find_item_rel_item_data(gb_item_container, id_field, generated_id); if (gb_item) min_num = mid; else max_num = mid; } GENERATE_ID(max_num); ad_assert(GBT_find_item_rel_item_data(gb_item_container, id_field, generated_id) == NULL); } } unique_id = generated_id; #undef GENERATE_ID } return unique_id; } char *GBT_create_unique_species_name(GBDATA *gb_main, const char *default_name) { return GBT_create_unique_item_identifier(GBT_get_species_data(gb_main), "name", default_name); } /******************************************************************************************** mark and unmark species ********************************************************************************************/ void GBT_mark_all(GBDATA *gb_main, int flag) { GBDATA *gb_species; GB_push_transaction(gb_main); if (flag == 2) { for (gb_species = GBT_first_species(gb_main); gb_species; gb_species = GBT_next_species(gb_species) ) { GB_write_flag(gb_species,!GB_read_flag(gb_species)); } } else { gb_assert(flag == 0 || flag == 1); for (gb_species = GBT_first_species(gb_main); gb_species; gb_species = GBT_next_species(gb_species) ) { GB_write_flag(gb_species,flag); } } GB_pop_transaction(gb_main); } void GBT_mark_all_that(GBDATA *gb_main, int flag, int (*condition)(GBDATA*, void*), void *cd) { GBDATA *gb_species; GB_push_transaction(gb_main); if (flag == 2) { for (gb_species = GBT_first_species(gb_main); gb_species; gb_species = GBT_next_species(gb_species) ) { if (condition(gb_species, cd)) { GB_write_flag(gb_species,!GB_read_flag(gb_species)); } } } else { gb_assert(flag == 0 || flag == 1); for (gb_species = GBT_first_species(gb_main); gb_species; gb_species = GBT_next_species(gb_species) ) { int curr_flag = GB_read_flag(gb_species); if (curr_flag != flag && condition(gb_species, cd)) { GB_write_flag(gb_species,flag); } } } GB_pop_transaction(gb_main); } long GBT_count_marked_species(GBDATA *gb_main) { long cnt = 0; GBDATA *gb_species_data; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); GB_pop_transaction(gb_main); cnt = GB_number_of_marked_subentries(gb_species_data); return cnt; } char *GBT_store_marked_species(GBDATA *gb_main, int unmark_all) { /* stores the currently marked species in a string if (unmark_all != 0) then unmark them too */ void *out = GBS_stropen(10000); GBDATA *gb_species; for (gb_species = GBT_first_marked_species(gb_main); gb_species; gb_species = GBT_next_marked_species(gb_species)) { GBS_strcat(out, GBT_read_name(gb_species)); GBS_chrcat(out, ';'); if (unmark_all) GB_write_flag(gb_species, 0); } GBS_str_cut_tail(out, 1); // remove trailing ';' return GBS_strclose(out); } NOT4PERL GB_ERROR GBT_with_stored_species(GBDATA *gb_main, const char *stored, species_callback doit, int *clientdata) { /* call function 'doit' with all species stored in 'stored' */ #define MAX_NAME_LEN 20 char name[MAX_NAME_LEN+1]; GB_ERROR error = 0; while (!error) { char *p = strchr(stored, ';'); int len = p ? (p-stored) : (int)strlen(stored); GBDATA *gb_species; gb_assert(len <= MAX_NAME_LEN); memcpy(name, stored, len); name[len] = 0; gb_species = GBT_find_species(gb_main, name); if (gb_species) { error = doit(gb_species, clientdata); } else { error = "Some stored species where not found."; } if (!p) break; stored = p+1; } #undef MAX_NAME_LEN return error; } static GB_ERROR restore_mark(GBDATA *gb_species, int *clientdata) { GBUSE(clientdata); GB_write_flag(gb_species, 1); return 0; } GB_ERROR GBT_restore_marked_species(GBDATA *gb_main, const char *stored_marked) { /* restores the species-marks to a state currently saved into 'stored_marked' by GBT_store_marked_species */ GBT_mark_all(gb_main, 0); /* unmark all species */ return GBT_with_stored_species(gb_main, stored_marked, restore_mark, 0); } /******************************************************************************************** read species information ********************************************************************************************/ #if defined(DEVEL_RALF) #warning rename the following functions to make the difference more obvious?? #endif /* DEVEL_RALF */ GB_CSTR GBT_read_name(GBDATA *gb_item) { GB_CSTR result = GBT_read_char_pntr(gb_item, "name"); if (!result) result = GBS_global_string("", GB_read_key_pntr(gb_item)); return result; } const char *GBT_get_name(GBDATA *gb_item) { GBDATA *gb_name = GB_entry(gb_item, "name"); if (!gb_name) return 0; return GB_read_char_pntr(gb_name); } GBDATA **GBT_gen_species_array(GBDATA *gb_main, long *pspeccnt) { GBDATA *gb_species; GBDATA *gb_species_data = GBT_find_or_create(gb_main,"species_data",7); GBDATA **result; *pspeccnt = 0; for (gb_species = GBT_first_species_rel_species_data(gb_species_data); gb_species; gb_species = GBT_next_species(gb_species)){ (*pspeccnt) ++; } result = (GBDATA **)malloc((size_t)(sizeof(GBDATA *)* (*pspeccnt))); *pspeccnt = 0; for (gb_species = GBT_first_species_rel_species_data(gb_species_data); gb_species; gb_species = GBT_next_species(gb_species)){ result[(*pspeccnt)++]=gb_species; } return result; } ./arbsrc_9167/ARBDB/ad_k_prot.h0000644012664100000130000000137711440743000016065 0ustar arb_buildcoders/* * ARB kernel interface. * * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef AD_K_PROT_H #define AD_K_PROT_H #ifndef P_ # error P_ is not defined #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* adstring.c */ void GBK_dump_backtrace P_((FILE *out, GB_ERROR error)); void GBK_install_SIGSEGV_handler P_((GB_BOOL install)); void GBK_terminate P_((const char *error)); void GBK_terminatef P_((const char *templat, ...)) __ATTR__FORMAT(1); GB_ERROR GBK_assert_msg P_((const char *assertion, const char *file, int linenr)); #ifdef __cplusplus } #endif #else #error ad_k_prot.h included twice #endif /* AD_K_PROT_H */ ./arbsrc_9167/ARBDB/adlang1.c0000644012664100000130000027167511440743000015437 0ustar arb_buildcoders#include #include #include #include /* #include */ #include #include "adlocal.h" #include "arbdbt.h" #include "adGene.h" #define AWAR_TREE_REFRESH "tmp/focus/tree_refresh" // touch this awar to refresh the tree display /* hook for 'export_sequence' */ static gb_export_sequence_cb get_export_sequence = 0; NOT4PERL void GB_set_export_sequence_hook(gb_export_sequence_cb escb) { ad_assert(!get_export_sequence || !escb); // avoid unwanted overwrite get_export_sequence = escb; } /* global ACI/SRT debug switch */ static int trace = 0; void GB_set_ACISRT_trace(int enable) { trace = enable; } int GB_get_ACISRT_trace() { return trace; } /* export stream */ #define PASS_2_OUT(args, s) do { (*((args)->voutput))[(*((args)->coutput))++].str = (s); } while(0) #define COPY_2_OUT(args, s) PASS_2_OUT(args, strdup(s)); #define IN_2_OUT(args, i) COPY_2_OUT(args, args->vinput[i].str); /******************************************************************************************** Parameter Functions ********************************************************************************************/ struct gbl_param { struct gbl_param *next; GB_TYPES type; // type of variable void *varaddr; // address of variable where value gets stored const char *param_name; // parameter name (e.g. 'include=') const char *help_text; // help text for parameter }; #define GBL_BEGIN_PARAMS struct gbl_param *params = 0 static void gbl_new_param(struct gbl_param **pp, GB_TYPES type, void *vaddr, const char *param_name, const char *help_text) { struct gbl_param *gblp = (struct gbl_param *)GB_calloc(1,sizeof(struct gbl_param)); gblp->next = *pp; *pp = gblp; gblp->type = type; gblp->varaddr = vaddr; gblp->param_name = param_name; gblp->help_text = help_text; } typedef const char *String; typedef int bit; typedef unsigned int uint; static int gbl_param_int(const char *param_name,int def, const char *help_text, struct gbl_param **pp, int *vaddr) { gbl_new_param(pp, GB_INT, vaddr, param_name, help_text); return def; } static char gbl_param_char(const char *param_name,char def, const char *help_text, struct gbl_param **pp, char *vaddr) { gbl_new_param(pp, GB_BYTE, vaddr, param_name, help_text); return def; } static uint gbl_param_uint(const char *param_name, uint def, const char *help_text, struct gbl_param **pp, uint *vaddr) { gbl_new_param(pp, GB_INT, vaddr, param_name, help_text); return def; } static const char *gbl_param_String(const char *param_name, const char *def, const char *help_text, struct gbl_param **pp, String *vaddr) { gbl_new_param(pp, GB_STRING, vaddr, param_name, help_text); return def; } static int gbl_param_bit(const char *param_name, int def, const char *help_text, struct gbl_param **pp, bit *vaddr) { gbl_new_param(pp, GB_BIT, vaddr, param_name, help_text); return def; } #define GBL_PARAM_TYPE(type, var, param_name, def, help_text) type var = gbl_param_##type(param_name, def, help_text, ¶ms, &var) #define GBL_STRUCT_PARAM_TYPE(type, strct, member, param_name, def, help_text) strct.member = gbl_param_##type(param_name, def, help_text, ¶ms, &strct.member) #define GBL_PARAM_INT( var, param_name, def, help_text) GBL_PARAM_TYPE(int, var, param_name, def, help_text) #define GBL_PARAM_CHAR( var, param_name, def, help_text) GBL_PARAM_TYPE(char, var, param_name, def, help_text) #define GBL_PARAM_UINT( var, param_name, def, help_text) GBL_PARAM_TYPE(uint, var, param_name, def, help_text) #define GBL_PARAM_STRING(var, param_name, def, help_text) GBL_PARAM_TYPE(String, var, param_name, def, help_text) #define GBL_PARAM_BIT( var, param_name, def, help_text) GBL_PARAM_TYPE(bit, var, param_name, def, help_text) #define GBL_STRUCT_PARAM_INT( strct, member, param_name, def, help_text) GBL_STRUCT_PARAM_TYPE(int, strct, member, param_name, def, help_text) #define GBL_STRUCT_PARAM_CHAR( strct, member, param_name, def, help_text) GBL_STRUCT_PARAM_TYPE(char, strct, member, param_name, def, help_text) #define GBL_STRUCT_PARAM_UINT( strct, member, param_name, def, help_text) GBL_STRUCT_PARAM_TYPE(uint, strct, member, param_name, def, help_text) #define GBL_STRUCT_PARAM_STRING(strct, member, param_name, def, help_text) GBL_STRUCT_PARAM_TYPE(String, strct, member, param_name, def, help_text) #define GBL_STRUCT_PARAM_BIT( strct, member, param_name, def, help_text) GBL_STRUCT_PARAM_TYPE(bit, strct, member, param_name, def, help_text) #define GBL_TRACE_PARAMS(argc,argv) { \ GB_ERROR def_error = trace_params(argc,argv,params,args->command); \ if (def_error) { GBL_END_PARAMS; return def_error; }; }; #define GBL_END_PARAMS { struct gbl_param *_gblp; while (params) { \ _gblp = params; params = params->next; \ free((char *)_gblp); } }; #define GBL_CHECK_FREE_PARAM(nr,cnt) do { \ if ((nr)+(cnt) >= GBL_MAX_ARGUMENTS) { \ /* ad_assert(0); */ \ return "max. parameters exceeded"; \ } \ }while(0) #if defined(DEVEL_RALF) #warning remove GBL_MAX_ARGUMENTS - instead allocate dynamic #endif /* DEVEL_RALF */ static GB_ERROR trace_params(int argc, const GBL *argv, struct gbl_param *ppara, const char *com) { GB_ERROR error = 0; int i; for (i=0;inext) { int len = strlen(para->param_name); if (strncmp(argument, para->param_name, len) == 0) { const char *value = argument+len; // set to start of value; if (para->type == GB_BIT) { // GB_BIT is special cause param_name does NOT contain trailing '=' if (!value[0]) { // only 'name' -> handle like 'name=1' ; } else if (value[0] == '=') { value++; } } switch (para->type) { case GB_STRING: *(const char **)para->varaddr = value; break; case GB_INT: gb_assert(sizeof(int) == sizeof(uint)); // assumed by GBL_PARAM_UINT *(int *)para->varaddr = atoi(value); break; case GB_BIT: // 'param=' is same as 'param' or 'param=1' (historical reason, don't change) *(int *)para->varaddr = (value[0] ? atoi(value) : 1); break; case GB_BYTE: *(char *)para->varaddr = *value; // this may use the terminal zero-byte (e.g. for p1 in 'p0=0,p1=,p2=2' ) if (value[0] && value[1]) { // found at least 2 chars GB_warningf("Only one character expected in value '%s' of param '%s' - rest is ignored", value, para->param_name); } break; default: gb_assert(0); error = GBS_global_string("Parameter '%s': Unknown type %i (internal error)", para->param_name, para->type); break; } break; // accept parameter } } if (!error && !para) { // no parameter found for argument int pcount = 0; struct gbl_param **params; int k; char *res; void *str = GBS_stropen(1000); GB_ERROR err; for (para = ppara; para; para = para->next) pcount++; params = (struct gbl_param **)GB_calloc(sizeof(void *),pcount); for (k = 0, para = ppara; para; para = para->next) params[k++] = para; for (pcount--; pcount>=0; pcount--) { para = params[pcount]; GBS_strcat(str,"\t"); GBS_strcat(str,para->param_name); switch(para->type) { case GB_STRING: GBS_strcat(str, "STRING"); break; case GB_INT: GBS_strcat(str, "INT"); break; case GB_FLOAT: GBS_strcat(str, "FLOAT"); break; case GB_BYTE: GBS_strcat(str, "CHAR"); break; case GB_BIT: GBS_strcat(str, " "); break; default: gb_assert (0); GBS_strcat(str, "????"); break; } GBS_strcat(str,"\t\t;"); GBS_strcat(str,para->help_text); GBS_strcat(str,"\n"); } freeset(params, NULL); res = GBS_strclose(str); err = GB_export_errorf("Unknown Parameter '%s' in command '%s'\n\tPARAMETERS:\n%s",argv[i].str,com,res); free(res); return err; } } return error; } /******************************************************************************************** String Functions ********************************************************************************************/ static char *unEscapeString(const char *escapedString) { /* replaces all \x by x */ char *result = nulldup(escapedString); char *to = result; char *from = result; while (1) { char c = *from++; if (!c) break; if (c=='\\') { *to++ = *from++; } else { *to++ = c; } } *to = 0; return result; } static int gbl_stricmp(const char *s1, const char *s2) { /* case insensitive strcmp */ int i; for (i = 0; ; ++i) { char c1 = tolower(s1[i]); char c2 = tolower(s2[i]); if (c1 == c2) { if (!c1) break; // equal strings } else { if (c1h2); if (gbl_strincmp(h2, needle, needle_size) == 0) return h2; hp = h2+1; } } else { if (h1) { hp = h1; } else if (h2) { hp = h2; c1 = c2; } else { hp = 0; } while (hp) { if (gbl_strincmp(hp, needle, needle_size) == 0) return hp; hp = strchr(hp+1, c1); } } } } return 0; } /* ***************************** gbl_mid_streams ***************************** * used as well to copy all streams (e.g. by 'dd') */ static GB_ERROR gbl_mid_streams(int arg_cinput, const GBL *arg_vinput, int *arg_cout, GBL **arg_vout, int start,int mstart,int end,int relend) { int i; GBL_CHECK_FREE_PARAM(*arg_cout,arg_cinput); for (i=0;ilen ) nstart = len; /* check boundaries */ if (nstart<0) nstart = 0; if (nend>len) nend = len; if (nendcparam!=1) return "syntax: trace(0|1)"; tmp_trace = atoi(args->vparam[0].str); if (tmp_trace<0 || tmp_trace>1) return GBS_global_string("Illegal value %i to trace", tmp_trace); if (tmp_trace != GB_get_ACISRT_trace()) { printf("*** %sctivated ACI trace ***\n", tmp_trace ? "A" : "De-a"); GB_set_ACISRT_trace(tmp_trace); } return gbl_mid_streams(args->cinput, args->vinput,args->coutput, args->voutput, 0, 0, -1, 0); /* copy all streams */ } /******************************************************************************************** Binary operators: ********************************************************************************************/ /* * Binary operators work on pairs of values. * Three different operational modes are implemented for all binary operators: * * 1. inputstreams|operator * * The number of inputstreams has to be even and the operator will be * applied to pairs of them. * * Example : a;b;c;d;e;f | plus * Result : a+b;c+d;e+f * * 2. inputstreams|operator(x) * * The number of inputstreams has to be at least 1. * The operator is applied to each inputstream. * * Example : a;b;c | plus(d) * Result : a+d;b+d;c+d * * 3. operator(x, y) * * Inputstreams will be ignored and the operator is applied * to the arguments * * Example : a;b | plus(c,d) * Result : c+d */ typedef char* (*gbl_binary_operator)(const char *arg1, const char *arg2, void *client_data); static GB_ERROR gbl_apply_binary_operator(GBL_command_arguments *args, gbl_binary_operator op, void *client_data) { GB_ERROR error = 0; switch (args->cparam) { case 0: if (args->cinput == 0) error = "Expect at least two input streams if called with 0 parameters"; else if (args->cinput%2) error = "Expect an even number of input streams if called with 0 parameters"; else { int inputpairs = args->cinput/2; int i; for (i = 0; ivinput[i*2].str, args->vinput[i*2+1].str, client_data)); } } break; case 1: if (args->cinput == 0) error = "Expect at least one input stream if called with 1 parameter"; else { int i; const char *argument = args->vparam[0].str; for (i = 0; icinput; ++i) { PASS_2_OUT(args, op(args->vinput[i].str, argument, client_data)); } } break; case 2: { GBDATA *gb_main = (GBDATA*)GB_MAIN(args->gb_ref)->data; int i; for (i = 0; icinput; ++i) { char *result1 = GB_command_interpreter(gb_main, args->vinput[i].str, args->vparam[0].str, args->gb_ref, args->default_tree_name); if (!result1) error = GB_await_error(); else { char *result2 = GB_command_interpreter(gb_main, args->vinput[i].str, args->vparam[1].str, args->gb_ref, args->default_tree_name); if (!result2) error = GB_await_error(); else { PASS_2_OUT(args, op(result1, result2, client_data)); free(result2); } free(result1); } } break; } default : error = "0 to 2 arguments expected"; break; } return error; } /******************************************************************************************** the commands themselves: ********************************************************************************************/ static GB_ERROR gbl_command(GBL_command_arguments *args) { GB_ERROR error = NULL; if (args->cparam!=1) { error = "syntax: command(\"escaped command\")"; } else { GBDATA *gb_main = (GBDATA*)GB_MAIN(args->gb_ref)->data; int i; char *command; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); command = unEscapeString(args->vparam[0].str); #if defined(DEBUG) printf("executing command '%s'\n", command); #endif /* DEBUG */ for (i=0; icinput && !error; i++) { /* go through all orig streams */ char *result = GB_command_interpreter(gb_main, args->vinput[i].str, command, args->gb_ref, args->default_tree_name); if (!result) error = GB_await_error(); else PASS_2_OUT(args, result); } free(command); } return error; } static GB_ERROR gbl_eval(GBL_command_arguments *args) { GB_ERROR error = NULL; if (args->cparam!=1) { error = "eval syntax: eval(\"escaped command evaluating to command\")"; } else { GBDATA *gb_main = (GBDATA*)GB_MAIN(args->gb_ref)->data; char *command; char *to_eval; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); to_eval = unEscapeString(args->vparam[0].str); command = GB_command_interpreter(gb_main, "", to_eval, args->gb_ref, args->default_tree_name); // evaluate independent if (!command) error = GB_await_error(); else { int i; if (GB_get_ACISRT_trace()) { printf("evaluating '%s'\n", to_eval); printf("executing '%s'\n", command); } for (i=0; icinput && !error; i++) { /* go through all orig streams */ char *result = GB_command_interpreter(gb_main, args->vinput[i].str, command, args->gb_ref, args->default_tree_name); if (!result) error = GB_await_error(); else PASS_2_OUT(args, result); } free(command); } free(to_eval); } return error; } static GB_HASH *definedCommands = 0; static GB_ERROR gbl_define(GBL_command_arguments *args) { GB_ERROR error = 0; if (args->cparam!=2) { error = "syntax: define(name, \"escaped command\")"; } else { const char *name = args->vparam[0].str; char *cmd = unEscapeString(args->vparam[1].str); char *oldcmd; if (!definedCommands) definedCommands = GBS_create_hash(100, GB_MIND_CASE); oldcmd = (char*)GBS_read_hash(definedCommands, name); if (oldcmd) free(oldcmd); GBS_write_hash(definedCommands, name, (long)cmd); if (GB_get_ACISRT_trace()) { printf("defining command '%s'='%s'\n", name, cmd); } } return error; } static GB_ERROR gbl_do(GBL_command_arguments *args) { GB_ERROR error = 0; if (args->cparam!=1) { error = "syntax: do(name)"; } else { const char *name = args->vparam[0].str; const char *cmd = 0; if (definedCommands) cmd = (const char*)GBS_read_hash(definedCommands, name); if (!cmd) { error = GBS_global_string("Can't do undefined command '%s' - use define(%s, ...) first", name, name); } else { GBDATA *gb_main = (GBDATA*)GB_MAIN(args->gb_ref)->data; int i; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); if (GB_get_ACISRT_trace()) { printf("executing defined command '%s'='%s' on %i streams\n", name, cmd, args->cinput); } for (i=0; icinput && !error; i++) { /* go through all orig streams */ char *result = GB_command_interpreter(gb_main, args->vinput[i].str, cmd, args->gb_ref, args->default_tree_name); if (!result) error = GB_await_error(); else PASS_2_OUT(args, result); } } } return error; } static GB_ERROR gbl_streams(GBL_command_arguments *args) { GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); PASS_2_OUT(args, GBS_global_string_copy("%i", args->cinput)); return 0; } static GB_ERROR gbl_origin(GBL_command_arguments *args) { GB_ERROR error = NULL; if (args->cparam!=1) error = GBS_global_string("syntax: %s(\"escaped command\")", args->command); else if (!GEN_is_pseudo_gene_species(args->gb_ref)) { error = GBS_global_string("'%s' applies to gene-species only", args->command); } else { GBDATA *gb_origin = NULL; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); if (strcmp(args->command, "origin_organism") == 0) { gb_origin = GEN_find_origin_organism(args->gb_ref, 0); } else { ad_assert(strcmp(args->command, "origin_gene") == 0); gb_origin = GEN_find_origin_gene(args->gb_ref, 0); } if (!error && !gb_origin) error = GB_await_error(); if (!error) { char *command = unEscapeString(args->vparam[0].str); int i; GBDATA *gb_main = (GBDATA*)GB_MAIN(args->gb_ref)->data; for (i=0; icinput && !error; i++) { /* go through all orig streams */ char *result = GB_command_interpreter(gb_main, args->vinput[i].str, command, gb_origin, args->default_tree_name); if (!result) error = GB_await_error(); else PASS_2_OUT(args, result); } free(command); } } return error; } static GB_ERROR gbl_count(GBL_command_arguments *args) { int i; char tab[256]; /* if tab[char] count 'char' */ if (args->cparam!=1) return "count syntax: count(\"characters to count\")"; for (i=0;i<256;i++) { if (strchr(args->vparam[0].str,i)) tab[i] = 1; else tab[i] = 0; } GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all orig streams */ long sum = 0; /* count frequencies */ unsigned char *p = (unsigned char *)args->vinput[i].str; while (*p){ sum += tab[*(p++)]; } PASS_2_OUT(args, GBS_global_string_copy("%li", sum)); } return 0; } static GB_ERROR gbl_len(GBL_command_arguments *args) { int i; char tab[256]; /* if tab[char] count 'char' */ const char *option; if (args->cparam == 0) option = ""; else option = args->vparam[0].str; if (args->cparam>=2) return "len syntax: len[(\"characters not to count\")]"; for (i=0;i<256;i++) { if (strchr(option,i)) tab[i] = 0; else tab[i] = 1; } GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all orig streams */ char *p; long sum = 0; /* count frequencies */ p = args->vinput[i].str; while (*p){ sum += tab[(unsigned int)*(p++)]; } PASS_2_OUT(args, GBS_global_string_copy("%li", sum)); } return 0; } static GB_ERROR gbl_remove(GBL_command_arguments *args) { int i; char tab[256]; /* if tab[char] count 'char' */ if (args->cparam!=1) return "remove syntax: remove(\"characters to remove\")"; for (i=0;i<256;i++) { if (strchr(args->vparam[0].str,i)) tab[i] = 1; else tab[i] = 0; } GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all orig streams */ void *strstruct; char *p; strstruct = GBS_stropen(1000); for (p = args->vinput[i].str;*p;p++){ if (!tab[(unsigned int)*p]) { GBS_chrcat(strstruct,*p); } } PASS_2_OUT(args, GBS_strclose(strstruct)); } return 0; } static GB_ERROR gbl_keep(GBL_command_arguments *args) { int i; char tab[256]; /* if tab[char] != 0 then keep'char' */ if (args->cparam!=1) return "keep syntax: keep(\"characters not to remove\")"; memset(tab, 0, 256); // keep none { unsigned char *keep = (unsigned char*)args->vparam[0].str; for (i = 0; keep[i]; ++i) { tab[keep[i]] = 1; // keep all members of argument } } GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all orig streams */ void *strstruct; char *p; strstruct = GBS_stropen(1000); for (p = args->vinput[i].str;*p;p++){ if (tab[(unsigned int)*p]) { GBS_chrcat(strstruct,*p); } } PASS_2_OUT(args, GBS_strclose(strstruct)); } return 0; } static char *binop_compare(const char *arg1, const char *arg2, void *client_data) { long case_sensitive = (long)client_data; int result; if (case_sensitive) result = strcmp(arg1, arg2); else result = gbl_stricmp(arg1, arg2); return GBS_global_string_copy("%i", result<0 ? -1 : (result>0 ? 1 : 0)); } static char *binop_equals(const char *arg1, const char *arg2, void *client_data) { long case_sensitive = (long)client_data; int result; if (case_sensitive) result = strcmp(arg1, arg2); else result = gbl_stricmp(arg1, arg2); return GBS_global_string_copy("%i", result == 0 ? 1 : 0); } static char *binop_contains(const char *arg1, const char *arg2, void *client_data) { long case_sensitive = (long)client_data; const char *found = 0; if (case_sensitive) found = strstr(arg1, arg2); else found = gbl_stristr(arg1, arg2); return GBS_global_string_copy("%ti", found == 0 ? 0 : (found-arg1)+1); } static char *binop_partof(const char *arg1, const char *arg2, void *client_data) { return binop_contains(arg2, arg1, client_data); } static GB_ERROR gbl_compare (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_compare, (void*)1); } static GB_ERROR gbl_icompare (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_compare, (void*)0); } static GB_ERROR gbl_equals (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_equals, (void*)1); } static GB_ERROR gbl_iequals (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_equals, (void*)0); } static GB_ERROR gbl_contains (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_contains, (void*)1); } static GB_ERROR gbl_icontains(GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_contains, (void*)0); } static GB_ERROR gbl_partof (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_partof, (void*)1); } static GB_ERROR gbl_ipartof (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, binop_partof, (void*)0); } static GB_ERROR gbl_translate(GBL_command_arguments *args) { unsigned char tab[256]; int i; char replace_other = 0; if (args->cparam<2 || args->cparam>3) return "translate syntax: translate(#old, #new [,#other])"; if (args->cparam == 3) { const char *other = args->vparam[2].str; if (other[0] == 0 || other[1] != 0) { return "third parameter of translate has to be one character (i.e. \"-\")"; } replace_other = other[0]; } /* build translation table : */ { const unsigned char *o = (const unsigned char *)args->vparam[0].str; const unsigned char *n = (const unsigned char *)args->vparam[1].str; char used[256]; if (strlen((const char *)o) != strlen((const char *)n)) { return "arguments 1 and 2 of translate should be strings with identical length"; } for (i = 0; i<256; ++i) { tab[i] = replace_other ? replace_other : i; // replace unused or identity translation used[i] = 0; } for (i = 0; o[i]; ++i) { if (used[o[i]]) return GBS_global_string("character '%c' used twice in argument 1 of translate", o[i]); used[o[i]] = 1; tab[o[i]] = n[i]; // real translation } } GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all orig streams */ void *strstruct; char *p; strstruct = GBS_stropen(1000); for (p = args->vinput[i].str;*p;p++){ GBS_chrcat(strstruct, tab[(unsigned char)*p]); } PASS_2_OUT(args, GBS_strclose(strstruct)); } return 0; } static GB_ERROR gbl_echo(GBL_command_arguments *args) { int i; args->cinput = args->cinput; args->vinput = args->vinput; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icparam;i++) { /* go through all in streams */ char *p; p = args->vparam[i].str; COPY_2_OUT(args, p); } return 0; } static GB_ERROR gbl_dd(GBL_command_arguments *args) { if (args->cparam!=0) return "syntax: dd (no parameters)"; return gbl_mid_streams(args->cinput, args->vinput,args->coutput, args->voutput, 0, 0, -1, 0); /* copy all streams */ } static GB_ERROR gbl_string_convert(GBL_command_arguments *args) { int mode = -1; int i; if (strcmp(args->command, "lower") == 0) mode = 0; else if (strcmp(args->command, "upper") == 0) mode = 1; else if (strcmp(args->command, "caps") == 0) mode = 2; else return GB_export_errorf("Unknown command '%s'", args->command); if (args->cparam!=0) return GBS_global_string("syntax: %s (no parameters)", args->command); GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char *p = strdup(args->vinput[i].str); char *pp; int last_was_alnum = 0; for (pp = p; pp[0]; ++pp) { switch (mode) { case 0: pp[0] = tolower(pp[0]); break; case 1: pp[0] = toupper(pp[0]); break; case 2: /* caps */ if (isalnum(pp[0])) { if (last_was_alnum) pp[0] = tolower(pp[0]); else pp[0] = toupper(pp[0]); last_was_alnum = 1; } else { last_was_alnum = 0; } break; default : ad_assert(0); break; } } PASS_2_OUT(args, p); } return 0; } static GB_ERROR gbl_head(GBL_command_arguments *args) { int start; if (args->cparam!=1) return "head syntax: head(#start)"; start = atoi(args->vparam[0].str); return gbl_mid_streams(args->cinput, args->vinput,args->coutput, args->voutput, 0,0, start, -start); } static GB_ERROR gbl_tail(GBL_command_arguments *args) { int end; if (args->cparam!=1) return "tail syntax: tail(#length_of_tail)"; end = atoi(args->vparam[0].str); return gbl_mid_streams(args->cinput, args->vinput,args->coutput, args->voutput, -1, end, -1, 0); } static GB_ERROR gbl_mid0(GBL_command_arguments *args) { int start; int end; if (args->cparam!=2) return "mid0 syntax: mid0(#start;#end)"; start = atoi(args->vparam[0].str); end = atoi(args->vparam[1].str); return gbl_mid_streams(args->cinput, args->vinput, args->coutput, args->voutput, start, -start, end, -end); } static GB_ERROR gbl_mid(GBL_command_arguments *args) { int start; int end; if (args->cparam!=2) return "mid syntax: mid(#start;#end)"; start = atoi(args->vparam[0].str)-1; end = atoi(args->vparam[1].str)-1; return gbl_mid_streams(args->cinput, args->vinput, args->coutput, args->voutput, start, -start, end, -end); } static GB_ERROR gbl_tab(GBL_command_arguments *args) { int i,j; int tab; if (args->cparam!=1) return "tab syntax: tab(#tab)"; tab = atoi(args->vparam[0].str); GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char *p; int len = strlen(args->vinput[i].str); if (len >= tab) { IN_2_OUT(args, i); } else { p = (char *)GB_calloc(sizeof(char),tab+1); strcpy(p, args->vinput[i].str); for (j=len; jcparam!=1) return "pretab syntax: pretab(#tab)"; tab = atoi(args->vparam[0].str); GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char *p; int len = strlen(args->vinput[i].str); if (len >= tab) { IN_2_OUT(args, i); } else { int spaces = tab-len; p = (char *)GB_calloc(sizeof(char),tab+1); for (j = 0; jvinput[i].str); PASS_2_OUT(args, p); } } return 0; } static GB_ERROR gbl_crop(GBL_command_arguments *args) { int i; const char *chars_to_crop; if (args->cparam != 1) return "crop syntax: pretab(chars_to_crop)"; chars_to_crop = args->vparam[0].str; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ const char *s = args->vinput[i].str; char *p; int len; while (s[0] && strchr(chars_to_crop, s[0]) != 0) s++; /* crop at beg of line */ len = strlen(s); p = (char*)GB_calloc(sizeof(char), len+1); memcpy(p, s, len); { char *pe = p+len-1; while (pe >= p && strchr(chars_to_crop, pe[0]) != 0) { /* crop at end of line */ --pe; } ad_assert(pe >= (p-1)); pe[1] = 0; } PASS_2_OUT(args, p); } return 0; } static GB_ERROR gbl_cut(GBL_command_arguments *args) { int i; GBL_CHECK_FREE_PARAM(*args->coutput,args->cparam); for (i=0; icparam;i++) { int j = atoi(args->vparam[i].str); if (j<1 || j>args->cinput) { return GBS_global_string("Illegal stream number '%i'", j); } --j; // user numbers streams from 1 to N IN_2_OUT(args, j); } return 0; } static GB_ERROR gbl_drop(GBL_command_arguments *args) { int i; int *dropped; GB_ERROR error = 0; GBL_CHECK_FREE_PARAM(*args->coutput, args->cinput-args->cparam); dropped = malloc(args->cinput*sizeof(dropped)); for (i=0; icinput;++i) { dropped[i] = 0; } for (i=0; icparam;++i) { int j = atoi(args->vparam[i].str); if (j<1 || j>args->cinput) { error = GBS_global_string("Illegal stream number '%i'", j); break; } --j; // user numbers streams from 1 to N dropped[j] = 1; } if (!error) { for (i=0; icinput;++i) { if (dropped[i] == 0) { IN_2_OUT(args, i); } } } free(dropped); return error; } static GB_ERROR gbl_dropempty(GBL_command_arguments *args) { int i; GBL_CHECK_FREE_PARAM(*args->coutput, args->cinput); if (args->cparam != 0) return "expect no parameters"; for (i=0; icinput;++i) { if (args->vinput[i].str[0]) { /* if non-empty */ IN_2_OUT(args, i); } } return 0; } static GB_ERROR gbl_dropzero(GBL_command_arguments *args) { int i; GBL_CHECK_FREE_PARAM(*args->coutput, args->cinput); if (args->cparam != 0) return "expect no parameters"; for (i=0; icinput;++i) { if (atoi(args->vinput[i].str)) { /* if non-zero */ IN_2_OUT(args, i); } } return 0; } static GB_ERROR gbl_swap(GBL_command_arguments *args) { int swap1; int swap2; int firstout = *args->coutput; int i; GBL_CHECK_FREE_PARAM(*args->coutput, args->cinput); if (args->cinput<2) return "need at least two input streams"; if (args->cparam == 0) { swap1 = args->cinput-1; swap2 = args->cinput-2; } else if (args->cparam == 2) { int illegal = 0; swap1 = atoi(args->vparam[0].str); swap2 = atoi(args->vparam[1].str); if (swap1<1 || swap1>args->cinput) illegal = swap1; else if (swap2<1 || swap2>args->cinput) illegal = swap2; if (illegal) return GBS_global_string("illegal stream number '%i'", illegal); swap1--; swap2--; } else { return "expected 0 or 2 parameters"; } for (i = 0; icinput; ++i) { IN_2_OUT(args, i); } if (swap1 != swap2) { char *temp = (*args->voutput)[firstout+swap1].str; (*args->voutput)[firstout+swap1].str = (*args->voutput)[firstout+swap2].str; (*args->voutput)[firstout+swap2].str = temp; } return 0; } static GB_ERROR backfront_stream(GBL_command_arguments *args, int toback) { int i; int stream_to_move; int firstout = *args->coutput; GBL_CHECK_FREE_PARAM(*args->coutput, args->cinput); if (args->cinput<1) return "need at least one input stream"; if (args->cparam != 1) return "expecting one parameter"; stream_to_move = atoi(args->vparam[0].str); if (stream_to_move<1 || stream_to_move>args->cinput) { return GBS_global_string("Illegal stream number '%i'", stream_to_move); } --stream_to_move; for (i = 0; icinput; ++i) { IN_2_OUT(args, i); } if (toback) { if (stream_to_move<(args->cinput-1)) { /* not last */ GBL new_last = (*args->voutput)[firstout+stream_to_move]; /* char *new_last = (*args->voutput)[firstout+stream_to_move].str; */ for (i = stream_to_move+1; icinput; ++i) { (*args->voutput)[firstout+i-1] = (*args->voutput)[firstout+i]; /* (*args->voutput)[firstout+i-1].str = (*args->voutput)[firstout+i].str; */ } (*args->voutput)[firstout+args->cinput-1] = new_last; } } else { /* to front */ if (stream_to_move != 0) { /* not first */ GBL new_first = (*args->voutput)[firstout+stream_to_move]; for (i = stream_to_move-1; i >= 0; --i) { (*args->voutput)[firstout+i+1] = (*args->voutput)[firstout+i]; } (*args->voutput)[0] = new_first; } } return 0; } static GB_ERROR gbl_toback (GBL_command_arguments *args) { return backfront_stream(args, 1); } static GB_ERROR gbl_tofront(GBL_command_arguments *args) { return backfront_stream(args, 0); } static GB_ERROR gbl_merge(GBL_command_arguments *args) { const char *separator; switch (args->cparam) { case 0: separator = 0; break; case 1: separator = args->vparam[0].str; break; default : return "expect 0 or 1 parameter"; } GBL_CHECK_FREE_PARAM(*args->coutput, 1); if (args->cinput) { int i; void *str; str = GBS_stropen(1000); GBS_strcat(str, args->vinput[0].str); for (i = 1; icinput; ++i) { if (separator) GBS_strcat(str, separator); GBS_strcat(str, args->vinput[i].str); } PASS_2_OUT(args, GBS_strclose(str)); } return 0; } static GB_ERROR gbl_split(GBL_command_arguments *args) { const char *separator; int split_mode = 0; /* 0 = remove separator, 1 = split before separator, 2 = split behind separator */ switch (args->cparam) { case 0: /* default behavior: split into lines and remove LF */ separator = "\n"; break; case 2: split_mode = atoi(args->vparam[1].str); if (split_mode<0 || split_mode>2) { return GBS_global_string("Illegal split mode '%i' (valid: 0..2)", split_mode); } /* fall-through */ case 1: separator = args->vparam[0].str; break; default : return "expect 0, 1 or 2 parameters"; } { size_t sepLen = strlen(separator); int i; for (i = 0; icinput; ++i) { char *in = args->vinput[i].str; char *from = in; /* search from here */ while (in) { char *splitAt; GBL_CHECK_FREE_PARAM(*args->coutput, 1); splitAt = strstr(from, separator); if (splitAt) { size_t len; char *copy; if (split_mode == 2) splitAt += sepLen; /* split behind separator */ len = splitAt-in; copy = (char*)malloc(len+1); memcpy(copy, in, len); copy[len] = 0; PASS_2_OUT(args, copy); in = splitAt + (split_mode == 0 ? sepLen : 0); from = in+(split_mode == 1 ? sepLen : 0); } else { // last part COPY_2_OUT(args, in); in = 0; } } } } return 0; } /******************************************************************************************** Extended String Functions ********************************************************************************************/ static GB_ERROR gbl_extract_words(GBL_command_arguments *args) { int i; float len; if (args->cparam != 2) return "extract_words needs two parameters:\nextract_words(\"Characters\",min_characters)"; len = atof(args->vparam[1].str); GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char *res = GBS_extract_words(args->vinput[i].str, args->vparam[0].str, len, 1); ad_assert(res); PASS_2_OUT(args, res); } return 0; } static GB_ERROR gbl_extract_sequence(GBL_command_arguments *args) { int i; float len; GB_ERROR syntax_err = "extract_sequence needs two parameters:\nextract_sequence(\"Characters\",min_rel_characters [0.0-1.0])"; if (args->cparam != 2) return syntax_err; len = atof(args->vparam[1].str); if (len <0.0 || len > 1.0) return syntax_err; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char *res = GBS_extract_words(args->vinput[i].str, args->vparam[0].str, len, 0); ad_assert(res); PASS_2_OUT(args, res); } return 0; } static GB_ERROR gbl_check(GBL_command_arguments *args) { int i; GBL_BEGIN_PARAMS; GBL_PARAM_STRING(exclude, "exclude=", "", "Remove characters 'str' before calculating" ); GBL_PARAM_BIT (upper, "toupper", 0, "Convert all characters to uppercase before calculating"); GBL_TRACE_PARAMS(args->cparam,args->vparam); GBL_END_PARAMS; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char buf[100]; long id; id = GBS_checksum(args->vinput[i].str,upper,exclude); sprintf(buf,"%lX",id); COPY_2_OUT(args, buf); } return 0; } static GB_ERROR gbl_gcgcheck(GBL_command_arguments *args) { int i; GBL_BEGIN_PARAMS; GBL_TRACE_PARAMS(args->cparam,args->vparam); GBL_END_PARAMS; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0;icinput;i++) { /* go through all in streams */ char buf[100]; long id; id = GBS_gcgchecksum(args->vinput[i].str); sprintf(buf,"%li",id); COPY_2_OUT(args, buf); } return 0; } /******************************************************************************************** SRT ********************************************************************************************/ static GB_ERROR gbl_srt(GBL_command_arguments *args) { GB_ERROR error = NULL; int i; int j; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); for (i=0; icinput && !error; i++) { /* go through all in streams */ const char *source = args->vinput[i].str; char *modsource = 0; for (j=0; jcparam && !error; j++) { char *hs = GBS_string_eval(modsource ? modsource : source, args->vparam[j].str, args->gb_ref); if (!hs) error = GB_await_error(); else freeset(modsource, hs); } if (!error) { if (modsource) { PASS_2_OUT(args, modsource); } else { COPY_2_OUT(args, source); } } } return error; } /******************************************************************************************** Calculator Functions ********************************************************************************************/ /* numeric binary operators */ typedef int (*numeric_binary_operator)(int i1, int i2); static char *apply_numeric_binop(const char *arg1, const char *arg2, void *client_data) { int i1 = atoi(arg1); int i2 = atoi(arg2); numeric_binary_operator nbo = (numeric_binary_operator)client_data; int result = nbo(i1, i2); return GBS_global_string_copy("%i", result); } static int binop_plus(int i1, int i2) { return i1+i2; } static int binop_minus(int i1, int i2) { return i1-i2; } static int binop_mult(int i1, int i2) { return i1*i2; } static int binop_div(int i1, int i2) { return i2 ? i1/i2 : 0; } static int binop_rest(int i1, int i2) { return i2 ? i1%i2 : 0; } static int binop_per_cent(int i1, int i2) { return i2 ? (i1*100)/i2 : 0; } static GB_ERROR gbl_plus (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, apply_numeric_binop, binop_plus ); } static GB_ERROR gbl_minus (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, apply_numeric_binop, binop_minus ); } static GB_ERROR gbl_mult (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, apply_numeric_binop, binop_mult ); } static GB_ERROR gbl_div (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, apply_numeric_binop, binop_div ); } static GB_ERROR gbl_rest (GBL_command_arguments *args){ return gbl_apply_binary_operator(args, apply_numeric_binop, binop_rest ); } static GB_ERROR gbl_per_cent(GBL_command_arguments *args){ return gbl_apply_binary_operator(args, apply_numeric_binop, binop_per_cent); } /******************************************************************************************** Logical Functions ********************************************************************************************/ static GB_ERROR gbl_select(GBL_command_arguments *args) { int i; GB_ERROR error = 0; GBL_CHECK_FREE_PARAM(*args->coutput, args->cinput); for (i=0;icinput && !error;i++) { /* go through all in streams */ int value = atoi(args->vinput[i].str); if (value<0 || value >= args->cparam) { error = GBS_global_string("Input stream value (%i) is out of bounds (0 to %i)", value, args->cparam-1); } else { GBDATA *gb_main = (GBDATA*)GB_MAIN(args->gb_ref)->data; char *result = GB_command_interpreter(gb_main, "", args->vparam[value].str, args->gb_ref, args->default_tree_name); if (!result) error = GB_await_error(); else PASS_2_OUT(args, result); } } return error; } /******************************************************************************************** Database Functions ********************************************************************************************/ static GB_ERROR gbl_readdb(GBL_command_arguments *args) { int i; void *strstr = GBS_stropen(1024); for (i=0;icparam;i++){ char *val = GBT_read_as_string(args->gb_ref, args->vparam[i].str); if (val) { GBS_strcat(strstr, val); free(val); } } PASS_2_OUT(args, GBS_strclose(strstr)); return 0; } /******************************************************************************************** Sequence Functions ********************************************************************************************/ typedef enum enum_gbt_item_type { GBT_ITEM_UNKNOWN, GBT_ITEM_SPECIES, GBT_ITEM_GENE } gbt_item_type; static gbt_item_type identify_gb_item(GBDATA *gb_item) { /* returns: GBT_ITEM_UNKNOWN -> unknown database_item * GBT_ITEM_SPECIES -> /species_data/species * GBT_ITEM_GENE -> /species_data/species/gene_data/gene */ GBDATA *gb_father; const char *key; if (!gb_item) return GBT_ITEM_UNKNOWN; gb_father = GB_get_father(gb_item); if (!gb_father) return GBT_ITEM_UNKNOWN; key = GB_KEY(gb_item); if (strcmp(key, "species") == 0 && strcmp(GB_KEY(gb_father), "species_data") == 0) { return GBT_ITEM_SPECIES; } if (strcmp(key, "gene") == 0 && strcmp(GB_KEY(gb_father), "gene_data") == 0 && identify_gb_item(GB_get_father(gb_father)) == GBT_ITEM_SPECIES) { return GBT_ITEM_GENE; } return GBT_ITEM_UNKNOWN; } /* -------------------------------------------------------------------------------- */ /* taxonomy caching */ struct cached_taxonomy { char *tree_name; /* tree for which taxonomy is cached here */ int groups; /* number of named groups in tree (at time of caching) */ GB_HASH *taxonomy; /* keys: "!species", ">XXXXgroup" and "". Species and groups contain their first parent (i.e. '>XXXXgroup' or ''). Species not in hash are not members of tree. The 'XXXX' in groupname is simply a counter to avoid multiple groups with same name. The group-db-entries are stored in hash as pointers ('>>%p') and point to their own group entry ('>XXXXgroup') */ }; static void free_cached_taxonomy(struct cached_taxonomy *ct) { free(ct->tree_name); GBS_free_hash(ct->taxonomy); free(ct); } static void build_taxonomy_rek(GBT_TREE *node, GB_HASH *tax_hash, const char *parent_group, int *group_counter) { if (node->is_leaf) { GBDATA *gb_species = node->gb_node; if (gb_species) { /* not zombie */ GBS_write_hash(tax_hash, GBS_global_string("!%s", GBT_read_name(gb_species)), (long)strdup(parent_group)); } } else { if (node->name) { /* named group */ char *hash_entry; const char *hash_binary_entry; (*group_counter)++; hash_entry = GBS_global_string_copy(">%04x%s", *group_counter, node->name); /* printf("hash_entry='%s' gb_node=%p\n", hash_entry, node->gb_node); */ GBS_write_hash(tax_hash, hash_entry, (long)strdup(parent_group)); hash_binary_entry = GBS_global_string(">>%p", node->gb_node); /* printf("hash_entry='%s' gb_node=%p\n", hash_binary_entry, node->gb_node); */ GBS_write_hash(tax_hash, hash_binary_entry, (long)strdup(hash_entry)); build_taxonomy_rek(node->leftson, tax_hash, hash_entry, group_counter); build_taxonomy_rek(node->rightson, tax_hash, hash_entry, group_counter); free(hash_entry); } else { build_taxonomy_rek(node->leftson, tax_hash, parent_group, group_counter); build_taxonomy_rek(node->rightson, tax_hash, parent_group, group_counter); } } } static GB_HASH *cached_taxonomies = 0; static GB_BOOL is_cached_taxonomy(const char *key, long val, void *cl_ct) { GBUSE(key); struct cached_taxonomy *ct1 = (struct cached_taxonomy *)val; struct cached_taxonomy *ct2 = (struct cached_taxonomy *)cl_ct; return ct1 == ct2 ? GB_TRUE : GB_FALSE; } static const char *tree_of_cached_taxonomy(struct cached_taxonomy *ct) { /* search the hash to find the correct cached taxonomy. * searching for tree name does not work, because the tree possibly already was deleted */ const char *tree = GBS_hash_next_element_that(cached_taxonomies, NULL, is_cached_taxonomy, ct); #if defined(DEBUG) if (tree) printf("tree_of_cached_taxonomy: tree='%s' ct->tree_name='%s'\n", tree, ct->tree_name); #endif /* DEBUG */ return tree; } static void flush_taxonomy_cb(GBDATA *gbd, int *cd_ct, GB_CB_TYPE cbt) { /* this cb is bound all tree db members below "/tree_data/tree_xxx" which * may have an effect on the displayed taxonomy * it invalidates cached taxonomies for that tree (when changed or deleted) */ struct cached_taxonomy *ct = (struct cached_taxonomy *)cd_ct; const char *found = 0; GB_ERROR error = 0; GBUSE(cbt); found = tree_of_cached_taxonomy(ct); if (found) { #if defined(DEBUG) && 0 fprintf(stderr, "Deleting cached taxonomy ct=%p (tree='%s')\n", ct, found); #endif /* DEBUG */ GBS_write_hash(cached_taxonomies, found, 0); /* delete cached taxonomy from hash */ free_cached_taxonomy(ct); } #if defined(DEBUG) && 0 else { fprintf(stderr, "No tree found for cached_taxonomies ct=%p (already deleted?)\n", ct); } #endif /* DEBUG */ if (!GB_inside_callback(gbd, GB_CB_DELETE)) { GB_remove_all_callbacks_to(gbd, (GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), flush_taxonomy_cb); } if (found && !error) { GBDATA *gb_main = GB_get_gb_main_during_cb(); if (gb_main) { GBDATA *gb_tree_refresh = GB_search(gb_main, AWAR_TREE_REFRESH, GB_INT); if (!gb_tree_refresh) { error = GBS_global_string("%s (while trying to force refresh)", GB_await_error()); } else { GB_touch(gb_tree_refresh); /* Note : force tree update */ } } } if (error) { fprintf(stderr, "Error in flush_taxonomy_cb: %s\n", error); } } static void flush_taxonomy_if_new_group_cb(GBDATA *gb_tree, int *cd_ct, GB_CB_TYPE cbt) { /* detects the creation of new groups and call flush_taxonomy_cb() manually */ struct cached_taxonomy *ct = (struct cached_taxonomy *)cd_ct; const char *tree_name; #if defined(DEBUG) fprintf(stderr, "flush_taxonomy_if_new_group_cb() has been called (cbt=%i)\n", cbt); #endif /* DEBUG */ tree_name = tree_of_cached_taxonomy(ct); if (tree_name) { int groups = 0; GBDATA *gb_group_node; for (gb_group_node = GB_entry(gb_tree, "node"); gb_group_node; gb_group_node = GB_nextEntry(gb_group_node)) { if (GB_entry(gb_group_node, "group_name")) { groups++; /* count named groups only */ } } #if defined(DEBUG) fprintf(stderr, "cached_groups=%i counted_groups=%i\n", ct->groups, groups); #endif /* DEBUG */ if (groups != ct->groups) { #if defined(DEBUG) fprintf(stderr, "Number of groups changed -> invoking flush_taxonomy_cb() manually\n"); #endif /* DEBUG */ flush_taxonomy_cb(gb_tree, cd_ct, cbt); } } #if defined(DEBUG) else { fprintf(stderr, "cached taxonomy no longer valid.\n"); } #endif /* DEBUG */ } static struct cached_taxonomy *get_cached_taxonomy(GBDATA *gb_main, const char *tree_name, GB_ERROR *error) { long cached; *error = 0; if (!cached_taxonomies) { cached_taxonomies = GBS_create_hash(20, GB_IGNORE_CASE); } cached = GBS_read_hash(cached_taxonomies, tree_name); if (!cached) { GBT_TREE *tree = GBT_read_tree(gb_main, tree_name, sizeof(*tree)); if (!tree) *error = GB_await_error(); else *error = GBT_link_tree(tree, gb_main, GB_FALSE, 0, 0); if (!*error) { GBDATA *gb_tree = GBT_get_tree(gb_main, tree_name); if (!gb_tree) { *error = GBS_global_string("Can't find tree '%s'", tree_name); } else { struct cached_taxonomy *ct = malloc(sizeof(*ct)); long nodes = GBT_count_nodes(tree); int group_counter = 0; ct->tree_name = strdup(tree_name); ct->taxonomy = GBS_create_dynaval_hash((int)(nodes*2), GB_IGNORE_CASE, GBS_dynaval_free); ct->groups = 0; // counted below build_taxonomy_rek(tree, ct->taxonomy, "", &group_counter); cached = (long)ct; GBS_write_hash(cached_taxonomies, tree_name, (long)ct); GB_remove_all_callbacks_to(gb_tree, GB_CB_SON_CREATED, flush_taxonomy_if_new_group_cb); GB_add_callback(gb_tree, GB_CB_SON_CREATED, flush_taxonomy_if_new_group_cb, (int*)ct); { GBDATA *gb_tree_entry = GB_entry(gb_tree, "tree"); GBDATA *gb_group_node; if (gb_tree_entry) { GB_remove_all_callbacks_to(gb_tree_entry, (GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), flush_taxonomy_cb); GB_add_callback(gb_tree_entry, (GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), flush_taxonomy_cb, (int*)ct); } /* add callbacks for all node/group_name subentries */ for (gb_group_node = GB_entry(gb_tree, "node"); gb_group_node; gb_group_node = GB_nextEntry(gb_group_node)) { GBDATA *gb_group_name = GB_entry(gb_group_node, "group_name"); if (gb_group_name) { /* group with id = 0 has no name */ GB_remove_all_callbacks_to(gb_group_name, (GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), flush_taxonomy_cb); GB_add_callback(gb_group_name, (GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), flush_taxonomy_cb, (int*)ct); ct->groups++; } } } #if defined(DEBUG) fprintf(stderr, "Created taxonomy hash for '%s' (ct=%p)\n", tree_name, ct); #endif /* DEBUG */ } } if (tree) GBT_delete_tree(tree); } if (!*error) { struct cached_taxonomy *ct = (struct cached_taxonomy*)cached; gb_assert(ct); return ct; } return 0; } static char *get_taxonomy_string(GB_HASH *tax_hash, const char *group_key, int depth, GB_ERROR *error) { long found; char *result = 0; gb_assert(depth>0); gb_assert(!(group_key[0] == '>' && group_key[1] == '>')); // internal group-pointers not allowed here! found = GBS_read_hash(tax_hash, group_key); if (found) { const char *parent_group_key = (const char *)found; if (strcmp(parent_group_key, "") == 0) { // root reached result = strdup(group_key+5); // return own group name } else { if (depth>1) { char *parent_name = get_taxonomy_string(tax_hash, parent_group_key, depth-1, error); if (parent_name) { result = GBS_global_string_copy("%s/%s", parent_name, group_key+5); free(parent_name); } else { *error = GBS_global_string("In get_taxonomy_string(%s): %s", group_key, *error); result = 0; } } else { result = strdup(group_key+5); // return own group name } } } else { *error = GBS_global_string("Not in tax_hash: '%s'", group_key); } return result; } static const char *get_taxonomy(GBDATA *gb_species_or_group, const char *tree_name, int is_current_tree, int depth, GB_ERROR *error) { GBDATA *gb_main = GB_get_root(gb_species_or_group); struct cached_taxonomy *tax = get_cached_taxonomy(gb_main, tree_name, error); const char *result = 0; if (tax) { GBDATA *gb_name = GB_entry(gb_species_or_group, "name"); GBDATA *gb_group_name = GB_entry(gb_species_or_group, "group_name"); if (gb_name && !gb_group_name) { /* it's a species */ char *name = GB_read_string(gb_name); if (name) { GB_HASH *tax_hash = tax->taxonomy; long found = GBS_read_hash(tax_hash, GBS_global_string("!%s", name)); if (found) { const char *parent_group = (const char *)found; if (strcmp(parent_group, "") == 0) { result = ""; /* not member of any group */ } else { static char *parent = 0; freeset(parent, get_taxonomy_string(tax_hash, parent_group, depth, error)); result = parent; } } else { result = GBS_global_string("Species '%s' not in '%s'", name, tree_name); } free(name); } else { *error = GBS_global_string("Species without 'name' entry!"); } } else if (gb_group_name && !gb_name) { /* it's a group */ char *group_name = GB_read_string(gb_group_name); if (group_name) { if (is_current_tree) { GB_HASH *tax_hash = tax->taxonomy; long found = GBS_read_hash(tax_hash, GBS_global_string(">>%p", gb_species_or_group)); if (found) { static char *full_group = 0; const char *group_id = (const char *)found; freeset(full_group, get_taxonomy_string(tax_hash, group_id, depth, error)); result = full_group; } else { result = GBS_global_string("Group '%s' not in '%s'", group_name, tree_name); } } else { *error = "It's not possible to specify the tree name in taxonomy() for groups"; } free(group_name); } else { *error = "Group without 'group_name' entry"; } } else if (gb_group_name) { *error = "Container has 'name' and 'group_name' entry - can't detect container type"; } else { *error = "Container has neither 'name' nor 'group_name' entry - can't detect container type"; } } return result; } static GB_ERROR gbl_taxonomy(GBL_command_arguments *args) { char *tree_name = 0; GB_ERROR error = 0; if (args->cparam<1 || args->cparam>2) { error = "\"taxonomy\" syntax: \"taxonomy\"([tree_name,] count)"; } else { int is_current_tree = 0; int count = -1; char *result = 0; if (args->cparam == 1) { /* only 'count' */ if (!args->default_tree_name) { result = strdup("No default tree"); } else { tree_name = strdup(args->default_tree_name); count = atoi(args->vparam[0].str); is_current_tree = 1; } } else { /* 'tree_name', 'count' */ tree_name = strdup(args->vparam[0].str); count = atoi(args->vparam[1].str); } if (!result) { if (count<1) { error = GBS_global_string("Illegal count '%i' (allowed 1..n)", count); } if (!error) { const char *taxonomy_string = get_taxonomy(args->gb_ref, tree_name, is_current_tree, count, &error); if (taxonomy_string) result = strdup(taxonomy_string); } } ad_assert(result || error); if (result) PASS_2_OUT(args, result); } if (tree_name) free(tree_name); return error; } static GB_ERROR gbl_sequence(GBL_command_arguments *args) { GB_ERROR error = 0; if (args->cparam!=0) error = "\"sequence\" syntax: \"sequence\" (no parameters)"; else if (args->cinput==0) error = "No input stream"; else { GBL_CHECK_FREE_PARAM(*args->coutput,1); switch (identify_gb_item(args->gb_ref)) { case GBT_ITEM_UNKNOWN: { error = "'sequence' used for unknown item"; break; } case GBT_ITEM_SPECIES: { char *use = GBT_get_default_alignment(GB_get_root(args->gb_ref)); if (!use) error = GB_await_error(); else { GBDATA *gb_seq = GBT_read_sequence(args->gb_ref,use); if (gb_seq) PASS_2_OUT(args, GB_read_string(gb_seq)); else COPY_2_OUT(args, ""); /* if current alignment does not exist -> return empty string */ free(use); } break; } case GBT_ITEM_GENE: { char *seq = GBT_read_gene_sequence(args->gb_ref, GB_TRUE, 0); if (!seq) error = GB_await_error(); else PASS_2_OUT(args, seq); break; } } } return error; } static GB_ERROR gbl_export_sequence(GBL_command_arguments *args) { GB_ERROR error = 0; if (args->cparam!=0) { error = "\"sequence\" syntax: \"export_sequence\" (no parameters)"; } else if (args->cinput==0) { error = "No input stream"; } else { GBL_CHECK_FREE_PARAM(*args->coutput,1); switch (identify_gb_item(args->gb_ref)) { case GBT_ITEM_UNKNOWN: { error = "'export_sequence' used for unknown item"; break; } case GBT_ITEM_SPECIES: { if (get_export_sequence == 0) { error = "No export-sequence-hook defined (can't use 'export_sequence' here)"; } else { size_t len; const char *seq = get_export_sequence(args->gb_ref, &len, &error); ad_assert(error || seq); if (seq) PASS_2_OUT(args, GB_strduplen(seq, len)); } break; } case GBT_ITEM_GENE: { error = "'export_sequence' cannot be used for gene"; break; } } } return error; } static GB_ERROR gbl_sequence_type(GBL_command_arguments *args) { GB_ERROR error = 0; if (args->cparam) error = "\"sequence_type\" syntax: \"sequence\" (no parameters)"; else { GBL_CHECK_FREE_PARAM(*args->coutput,1); if (!args->cinput) error = "No input stream"; else { char *use = GBT_get_default_alignment(GB_get_root(args->gb_ref)); PASS_2_OUT(args, GBT_get_alignment_type_string(GB_get_root(args->gb_ref), use)); free(use); } } return error; } static GB_ERROR gbl_format_sequence(GBL_command_arguments *args) { GB_ERROR error = 0; int ic; GBL_BEGIN_PARAMS; GBL_PARAM_UINT (firsttab, "firsttab=", 10, "Indent first line"); GBL_PARAM_UINT (tab, "tab=", 10, "Indent not first line"); GBL_PARAM_BIT (numleft, "numleft", 0, "Numbers left of sequence"); GBL_PARAM_UINT (gap, "gap=", 10, "Insert ' ' every n sequence characters"); GBL_PARAM_UINT (width, "width=", 50, "Sequence width (bases only)"); GBL_PARAM_STRING(nl, "nl=", " ", "Break line at characters 'str' if wrapping needed"); GBL_PARAM_STRING(forcenl, "forcenl=", "\n", "Always break line at characters 'str'"); GBL_TRACE_PARAMS(args->cparam,args->vparam); GBL_END_PARAMS; for (ic = 0; iccinput; ++ic) { GBL_CHECK_FREE_PARAM(*args->coutput,1); { const char *src = args->vinput[ic].str; size_t data_size = strlen(src); size_t needed_size; char *result = 0; int simple_format = (strcmp(args->command,"format") == 0); { size_t lines; size_t line_size; if (simple_format) { lines = data_size/2 + 1; // worst case line_size = tab + width + 1; } else { size_t gapsPerLine = (width-1)/gap; lines = data_size/width+1; line_size = tab + width + gapsPerLine + 1; } needed_size = lines*line_size + firsttab + 1 + 10; } result = malloc(needed_size); if (!result) { error = GBS_global_string("Out of memory (tried to alloc %zu bytes)", needed_size); } else { char *dst = result; size_t rest_data = data_size; int i; if (simple_format) { /* format string w/o gaps or numleft * does word-wrapping at chars in nl */ /* build wrap table */ unsigned char isWrapChar[256]; memset(isWrapChar, 0, sizeof(isWrapChar)); for (i = 0; nl[i]; ++i) isWrapChar[(unsigned char)nl[i]] = 1; for (i = 0; forcenl[i]; ++i) isWrapChar[(unsigned char)forcenl[i]] = 2; if (firsttab>0) { memset(dst, ' ', firsttab); dst += firsttab; } while (rest_data>width) { int take; int move; int took; for (take = width; take > 0; --take) { if (isWrapChar[(unsigned char)src[take]]) break; } if (take <= 0) { /* no wrap character found -> hard wrap at width */ take = move = width; } else { /* soft wrap at last found wrap character */ move = take+1; } for (took = 0; took0) { *dst++ = '\n'; if (tab>0) { memset(dst, ' ', tab); dst += tab; } } } if (rest_data>0) { size_t j, k; for (j = 0, k = 0; j0) { memset(dst+k, ' ', tab); k += tab; } } else { dst[k++] = c; } } src += j; dst += k; rest_data = 0; } } else { /* "format_sequence" with gaps and numleft */ char *format = 0; const char *src_start = src; if (numleft) { /* Warning: Be very careful, when you change format strings here! * currently all format strings result in '%u' or '%-##u' (where # are digits) */ if (firsttab>0) { char *firstFormat = GBS_global_string_copy("%%-%iu ", firsttab-1); dst += sprintf(dst, firstFormat, (unsigned)1); free(firstFormat); } else { dst += sprintf(dst, "%u ", (unsigned)1); } format = tab>0 ? GBS_global_string_copy("%%-%iu ", tab-1) : strdup("%u "); } else if (firsttab>0) { memset(dst, ' ', firsttab); dst += firsttab; } while (rest_data>0) { size_t take = rest_data>width ? width : rest_data; rest_data -= take; while (take>gap) { memcpy(dst, src, gap); dst += gap; src += gap; *dst++ = ' '; take -= gap; } memcpy(dst, src, take); dst += take; src += take; if (rest_data>0) { *dst++ = '\n'; if (numleft) { unsigned int num = (src-src_start)+1; /* this goes to the '%u' (see comment above) */ dst += sprintf(dst, format, num); } else if (tab>0) { memset(dst, ' ', tab); dst += tab; } } } free(format); } *dst++ = 0; /* close str */ #if defined(DEBUG) { /* check for array overflow */ size_t used_size = dst-result; char *new_result; gb_assert(used_size <= needed_size); new_result = realloc(result, used_size); if (!new_result) { error = "Out of memory"; } else { result = new_result; } } #endif /* DEBUG */ } if (!error) PASS_2_OUT(args, result); else free(result); } } return error; } /******************************************************************************************** Filter Functions ********************************************************************************************/ static char *gbl_read_seq_sai_or_species(const char *species, const char *sai, const char *ali, size_t *seqLen) { /* Reads the alignment 'ali' of 'species' or 'sai'. * If 'ali' is NULL, use default alignment. * Returns NULL in case of error (which is exported then) */ char *seq = NULL; GB_ERROR error = 0; int sources = !!species + !!sai; if (sources != 1) { error = "Either parameters 'species' or 'SAI' must be specified"; } else { GBDATA *gb_main = gb_local->gbl.gb_main; GBDATA *gb_item = 0; const char *what = 0; const char *name = 0; if (species) { gb_item = GBT_find_species(gb_main, species); what = "species"; name = species; } else { gb_item = GBT_find_SAI(gb_main, sai); what = "SAI"; name = sai; } if (!gb_item) error = GBS_global_string("Can't find %s '%s'", what, name); else { char *freeMe = 0; if (!ali) { ali = freeMe = GBT_get_default_alignment(gb_main); if (!ali) error = "can't detect default alignment"; } if (ali) { GBDATA *gb_ali = GB_entry(gb_item, ali); if (gb_ali) { GBDATA *gb_seq; for (gb_seq = GB_child(gb_ali); gb_seq; gb_seq = GB_nextChild(gb_seq)) { long type = GB_read_type(gb_seq); if (type == GB_BITS) { seq = GB_read_bits(gb_seq,'-','+'); if (seqLen) *seqLen = GB_read_bits_count(gb_seq); break; } if (type == GB_STRING) { seq = GB_read_string(gb_seq); if (seqLen) *seqLen = GB_read_string_count(gb_seq); break; } } } if (!seq) error = GBS_global_string("%s '%s' has no (usable) data in alignment '%s'", what, name, ali); } free(freeMe); } } if (error) { gb_assert(!seq); GB_export_error(error); } return seq; } struct common_filter_params { const char *align; const char *sai; const char *species; int first; int pairwise; }; #define GBL_COMMON_FILTER_PARAMS \ struct common_filter_params common_param; \ GBL_STRUCT_PARAM_STRING(common_param, align, "align=", 0, "alignment to use (defaults to default alignment)"); \ GBL_STRUCT_PARAM_STRING(common_param, sai, "SAI=", 0, "Use default sequence of given SAI as a filter"); \ GBL_STRUCT_PARAM_STRING(common_param, species, "species=", 0, "Use default sequence of given species as a filter"); \ GBL_STRUCT_PARAM_BIT (common_param, first, "first=", 0, "Use 1st stream as filter for other streams"); \ GBL_STRUCT_PARAM_BIT (common_param, pairwise, "pairwise=", 0, "Use 1st stream as filter for 2nd, 3rd for 4th, ...") typedef char* (*filter_fun)(const char *seq, const char *filter, size_t flen, void *param); /* Note: * filter_fun has to return a heap copy of the filter-result. * if 'flen' != 0, it contains the length of 'filter' * 'param' may be any client data */ static GB_ERROR apply_filters(GBL_command_arguments *args, struct common_filter_params *common, filter_fun filter_one, void *param) { GB_ERROR error = 0; if (args->cinput==0) error = "No input stream"; else { int methodCount = !!common->sai + !!common->species + !!common->pairwise + !!common->first; if (methodCount != 1) error = "Need exactly one of the parameters 'SAI', 'species', 'pairwise' or 'first'"; else { if (common->pairwise) { if (args->cinput % 2) error = "Using 'pairwise' requires an even number of input streams"; else { int i; for (i = 1; icinput; i += 2) { PASS_2_OUT(args, filter_one(args->vinput[i].str, args->vinput[i-1].str, 0, param)); } } } else { int i = 0; char *filter = 0; size_t flen = 0; if (common->first) { if (args->cinput<2) error = "Using 'first' needs at least 2 input streams"; else { const char *in = args->vinput[i++].str; gb_assert(in); flen = strlen(in); filter = GB_strduplen(in, flen); } } else { filter = gbl_read_seq_sai_or_species(common->species, common->sai, common->align, &flen); if (!filter) error = GB_await_error(); } gb_assert(filter || error); if (filter) { for (; icinput; ++i) { PASS_2_OUT(args, filter_one(args->vinput[i].str, filter, flen, param)); } } free(filter); } } } return error; } /* ------------------------- */ /* calculate diff */ struct diff_params { char equalC; char diffC; }; static char *calc_diff(const char *seq, const char *filter, size_t flen, void *paramP) { // filters 'seq' through 'filter' // - replace all equal positions by 'equal_char' (if != 0) // - replace all differing positions by 'diff_char' (if != 0) GBUSE(flen); struct diff_params *param = (struct diff_params*)paramP; char equal_char = param->equalC; char diff_char = param->diffC; char *result = strdup(seq); int p; for (p = 0; result[p] && filter[p]; ++p) { if (result[p] == filter[p]) { if (equal_char) result[p] = equal_char; } else { if (diff_char) result[p] = diff_char; } } // if 'seq' is longer than 'filter' and diff_char is given // -> fill rest of 'result' with 'diff_char' if (diff_char) { for (; result[p]; ++p) { result[p] = diff_char; } } return result; } static GB_ERROR gbl_diff(GBL_command_arguments *args) { GBL_BEGIN_PARAMS; GBL_COMMON_FILTER_PARAMS; struct diff_params param; GBL_STRUCT_PARAM_CHAR(param, equalC, "equal=", '.', "symbol for equal characters"); GBL_STRUCT_PARAM_CHAR(param, diffC, "differ=", 0, "symbol for diff characters (default: use char from input stream)"); GBL_TRACE_PARAMS(args->cparam,args->vparam); GBL_END_PARAMS; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); return apply_filters(args, &common_param, calc_diff, ¶m); } /* ------------------------- */ /* standard filter */ struct filter_params { // used by gbl_filter and gbl_change_gc enum { FP_FILTER, FP_MODIFY } function; const char *include; const char *exclude; // FP_MODIFY only: int change_pc; const char *change_to; }; static char *filter_seq(const char *seq, const char *filter, size_t flen, void *paramP) { struct filter_params *param = (struct filter_params*)paramP; size_t slen = strlen(seq); if (!flen) flen = strlen(filter); size_t mlen = sleninclude) { charset = param->include; include = 1; } else { gb_assert(param->exclude); charset = param->exclude; include = 0; } size_t pos = 0; size_t rest = slen; size_t ctl = 0; if (param->function == FP_MODIFY) ctl = strlen(param->change_to); int inset = 1; // 1 -> check chars in charset, 0 -> check chars NOT in charset while (rest) { size_t count; if (pos >= flen) { // behind filter // trigger last loop count = rest; inset = 0; // if 'include' -> 'applies' will get false, otherwise true // (meaning is: behind filter nothing can match 'include' or 'exclude') } else { count = (inset ? strspn : strcspn)(filter+pos, charset); // count how many chars are 'inset' } if (count) { int applies = !!include == !!inset; // true -> 'filter' matches 'include' or doesn't match 'exclude' if (count>rest) count = rest; switch(param->function) { case FP_FILTER: if (applies) GBS_strncat(out, seq+pos, count); break; case FP_MODIFY: if (applies) { // then modify size_t i; for (i = 0; ichange_pc) c = param->change_to[GB_random(ctl)]; GBS_chrcat(out, c); } } else { // otherwise simply copy GBS_strncat(out, seq+pos, count); } break; } pos += count; rest -= count; } inset = 1-inset; // toggle } return GBS_strclose(out); } static GB_ERROR gbl_filter(GBL_command_arguments *args) { GBL_BEGIN_PARAMS; GBL_COMMON_FILTER_PARAMS; struct filter_params param; GBL_STRUCT_PARAM_STRING(param, exclude, "exclude=", 0, "Exclude colums"); GBL_STRUCT_PARAM_STRING(param, include, "include=", 0, "Include colums"); param.function = FP_FILTER; GBL_TRACE_PARAMS(args->cparam,args->vparam); GBL_END_PARAMS; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); GB_ERROR error = 0; int inOrEx = !!param.include + !!param.exclude; if (inOrEx != 1) error = "Need exactly one parameter of: 'include', 'exclude'"; else error = apply_filters(args, &common_param, filter_seq, ¶m); return error; } static GB_ERROR gbl_change_gc(GBL_command_arguments *args) { GBL_BEGIN_PARAMS; GBL_COMMON_FILTER_PARAMS; struct filter_params param; GBL_STRUCT_PARAM_STRING(param, exclude, "exclude=", 0, "Exclude colums"); GBL_STRUCT_PARAM_STRING(param, include, "include=", 0, "Include colums"); GBL_STRUCT_PARAM_INT (param, change_pc, "change=", 0, "percentage of changed columns (default: silently change nothing)"); GBL_STRUCT_PARAM_STRING(param, change_to, "to=", "GC", "change to one of this"); param.function = FP_MODIFY; GBL_TRACE_PARAMS(args->cparam,args->vparam); GBL_END_PARAMS; GBL_CHECK_FREE_PARAM(*args->coutput,args->cinput); GB_ERROR error = 0; int inOrEx = !!param.include + !!param.exclude; if (inOrEx != 1) error = "Need exactly one parameter of: 'include', 'exclude'"; else { error = apply_filters(args, &common_param, filter_seq, ¶m); } return error; } /******************************************************************************************** Exec Functions ********************************************************************************************/ static GB_ERROR gbl_exec(GBL_command_arguments *args) { GB_ERROR error = 0; if (args->cparam==0) { error = "exec needs parameters:\nexec(command,...)"; } else { // write inputstreams to temp file: char *inputname; int i; { char *filename = GB_unique_filename("arb_exec_input", "tmp"); FILE *out = GB_fopen_tempfile(filename, "wt", &inputname); if (!out) error = GB_await_error(); else { for (i=0; icinput; i++) { // go through all in streams fprintf(out,"%s\n",args->vinput[i].str); } fclose(out); } free(filename); } if (!error) { // build shell command to execute char *sys; { struct GBS_strstruct *str = GBS_stropen(1000); GBS_strcat(str, args->vparam[0].str); for (i=1; icparam; i++) { // go through all in params GBS_strcat(str," \'"); GBS_strcat(str, args->vparam[i].str); GBS_chrcat(str,'\''); } GBS_strcat(str, " <"); GBS_strcat(str, inputname); sys = GBS_strclose(str); } char *result = 0; { FILE *in = popen(sys,"r"); if (in) { void *str = GBS_stropen(4096); while ( (i=getc(in)) != EOF ) { GBS_chrcat(str,i); } result = GBS_strclose(str); pclose(in); } else { error = GBS_global_string("Cannot execute shell command '%s'", sys); } } if (!error) { gb_assert(result); PASS_2_OUT(args, result); } free(sys); } gb_assert(GB_is_privatefile(inputname, GB_FALSE)); GB_unlink_or_warn(inputname, &error); free(inputname); } return error; } static struct GBL_command_table gbl_command_table[] = { {"caps", gbl_string_convert }, {"change", gbl_change_gc }, {"checksum", gbl_check }, {"command", gbl_command }, {"compare", gbl_compare }, {"icompare", gbl_icompare }, {"contains", gbl_contains }, {"icontains", gbl_icontains }, {"count", gbl_count }, {"crop", gbl_crop }, {"cut", gbl_cut }, {"dd", gbl_dd }, {"define", gbl_define }, {"diff", gbl_diff }, {"div", gbl_div }, {"do", gbl_do }, {"drop", gbl_drop }, {"dropempty", gbl_dropempty }, {"dropzero", gbl_dropzero }, {"echo", gbl_echo }, {"equals", gbl_equals }, {"iequals", gbl_iequals }, {"eval", gbl_eval }, {"exec", gbl_exec }, {"export_sequence", gbl_export_sequence }, {"extract_sequence", gbl_extract_sequence }, {"extract_words", gbl_extract_words }, {"filter", gbl_filter }, {"format", gbl_format_sequence }, {"format_sequence", gbl_format_sequence }, {"gcgchecksum", gbl_gcgcheck }, {"head", gbl_head }, {"keep", gbl_keep }, {"left", gbl_head }, {"len", gbl_len }, {"lower", gbl_string_convert }, {"merge", gbl_merge }, {"mid", gbl_mid }, {"mid0", gbl_mid0 }, {"minus", gbl_minus }, {"mult", gbl_mult }, {"origin_gene", gbl_origin }, {"origin_organism", gbl_origin }, {"partof", gbl_partof }, {"ipartof", gbl_ipartof }, {"per_cent", gbl_per_cent }, {"plus", gbl_plus }, {"pretab", gbl_pretab }, {"readdb", gbl_readdb }, {"remove", gbl_remove }, {"rest", gbl_rest }, {"right", gbl_tail }, {"select", gbl_select }, {"sequence", gbl_sequence }, {"sequence_type", gbl_sequence_type }, {"split", gbl_split }, {"srt", gbl_srt }, {"streams", gbl_streams }, {"swap", gbl_swap }, {"tab", gbl_tab }, {"tail", gbl_tail }, {"taxonomy", gbl_taxonomy }, {"toback", gbl_toback }, {"tofront", gbl_tofront }, {"trace", gbl_trace }, {"translate", gbl_translate }, {"upper", gbl_string_convert }, {0,0} }; void gbl_install_standard_commands(GBDATA *gb_main) { gb_install_command_table(gb_main,gbl_command_table); } ./arbsrc_9167/ARBDB/adlink.c0000644012664100000130000000234011440743000015347 0ustar arb_buildcoders#include #include #include #include "adlocal.h" /* #include */ GBDATA *GB_follow_link(GBDATA *gb_link){ char *s; const char *link; char c; GB_MAIN_TYPE *Main = GB_MAIN(gb_link); GBDATA *result; GB_Link_Follower lf; link = (char *)GB_read_link_pntr(gb_link); if (!link) return 0; s = strchr(link,':'); if (!s){ GB_export_errorf("Your link '%s' does not contain a ':' character",link); return 0; } c = *s; *s = 0; lf = (GB_Link_Follower)GBS_read_hash(Main->resolve_link_hash,link); *s = c; if (!lf){ GB_export_errorf("Your link tag '%s' is unknown to the system",link); return 0; } result = lf(GB_get_root(gb_link),gb_link,s+1); return result; } GB_ERROR GB_install_link_follower(GBDATA *gb_main, const char *link_type, GB_Link_Follower link_follower){ GB_ERROR error =0; GB_MAIN_TYPE *Main = GB_MAIN(gb_main); if (!Main->resolve_link_hash){ Main->resolve_link_hash = GBS_create_hash(256, GB_MIND_CASE); } error = GB_check_link_name(link_type); if (error) return error; GBS_write_hash(Main->resolve_link_hash, link_type,(long)link_follower); return 0; } ./arbsrc_9167/ARBDB/adlmacros.h0000644012664100000130000007100411440743000016062 0ustar arb_buildcoders/* -------------------- adlmacros.h -------------------- */ #define A_TO_I(c) if(c>'9') c-='A'-10; else c-='0'; #if defined(DIGITAL) || defined(DARWIN) # define GB_MEMALIGN(a,b) malloc(b) #else # define GB_MEMALIGN(a,b) memalign(a,b) #endif #define GB_MIN(a,b) ( (a)>(b) ? (b):(a) ) #define GB_MAX(a,b) ( (a)<(b) ? (b):(a) ) /********************* SECURITY ******************/ # define GB_GET_SECURITY_READ(gb) ((gb)->flags.security_read) # define GB_GET_SECURITY_WRITE(gb) ((gb)->flags.security_write) # define GB_GET_SECURITY_DELETE(gb) ((gb)->flags.security_delete) # define GB_PUT_SECURITY_READ(gb,i) ((gb)->flags.security_read = (i)) # define GB_PUT_SECURITY_WRITE(gb,i) ((gb)->flags.security_write = (i)) # define GB_PUT_SECURITY_DELETE(gb,i) ((gb)->flags.security_delete = (i)) /********************* RELATIVE ADRESSING **********/ #if (MEMORY_TEST==1) # define GB_RESOLVE(typ,struct_add,member_name) ( (typ)(struct_add->member_name) ) # define GB_SETREL(struct_add,member_name,creator) ( struct_add)->member_name = creator # define GB_ENTRIES_ENTRY(entries,idx) (entries)[idx] # define SET_GB_ENTRIES_ENTRY(entries,idx,ie) entries[idx] = ie; #else /* !(MEMORY_TEST==1) */ # define GB_RESOLVE(typ,struct_add,member_name) \ ((typ) (((struct_add)->member_name) \ ? (typ) (((char*)(struct_add))+((struct_add)->member_name)) \ : NULL )) # define GB_SETREL(struct_add,member_name,creator) \ do { \ char *pntr = (char *)(creator); \ if (pntr) \ { \ (struct_add)->member_name = (char*)(pntr)-(char*)(struct_add); \ } \ else { \ (struct_add)->member_name = 0; \ } \ } while(0) # define GB_ENTRIES_ENTRY(entries,idx) ((struct gb_if_entries *) ((entries)[idx] ? ((char*)entries)+(entries[idx]) : NULL)) # define SET_GB_ENTRIES_ENTRY(entries,idx,ie) \ do { \ if (ie) { \ (entries)[idx] = (char*)(ie)-(char*)(entries); \ } \ else { \ (entries)[idx] = 0; \ } \ } while(0) #endif /* !(MEMORY_TEST==1) */ /* Please keep care that all 'member_name's of the following macros have different names Otherwise there will be NO WARNINGS from the compiler The parameter types for the following macros are: hl struct gb_header_list_struct * dl struct gb_data_list ie struct gb_if_entries * if struct gb_index_files_struct * gbc GBCONTAINER * ex struct gb_extern_data * gbd GBDATA* or GBCONTAINER* */ /* -------------------------------------------------------------------------------- */ #ifdef __cplusplus inline GBDATA * GB_HEADER_LIST_GBD(struct gb_header_list_struct& hl) { return GB_RESOLVE(struct gb_data_base_type *,(&(hl)),rel_hl_gbd); } inline struct gb_header_list_struct * GB_DATA_LIST_HEADER(struct gb_data_list& dl) { return GB_RESOLVE(struct gb_header_list_struct *,(&(dl)),rel_header); } inline struct gb_if_entries * GB_IF_ENTRIES_NEXT(struct gb_if_entries *ie) { return GB_RESOLVE(struct gb_if_entries *,ie,rel_ie_next); } inline GBDATA * GB_IF_ENTRIES_GBD(struct gb_if_entries *ie) { return GB_RESOLVE(struct gb_data_base_type *,ie,rel_ie_gbd); } inline struct gb_index_files_struct * GB_INDEX_FILES_NEXT(struct gb_index_files_struct *ixf) { return GB_RESOLVE(struct gb_index_files_struct *,ixf,rel_if_next); } inline GB_REL_IFES * GB_INDEX_FILES_ENTRIES(struct gb_index_files_struct *ifs) { return GB_RESOLVE(GB_REL_IFES *,ifs,rel_entries); } inline struct gb_index_files_struct * GBCONTAINER_IFS(GBCONTAINER *gbc) { return GB_RESOLVE(struct gb_index_files_struct *,gbc,rel_ifs); } inline char * GB_EXTERN_DATA_DATA(struct gb_extern_data& ex) { return GB_RESOLVE(char*,(&(ex)),rel_data); } #else #define GB_HEADER_LIST_GBD(hl) GB_RESOLVE(struct gb_data_base_type *,(&(hl)),rel_hl_gbd) #define GB_DATA_LIST_HEADER(dl) GB_RESOLVE(struct gb_header_list_struct *,(&(dl)),rel_header) #define GB_IF_ENTRIES_NEXT(ie) GB_RESOLVE(struct gb_if_entries *,ie,rel_ie_next) #define GB_IF_ENTRIES_GBD(ie) GB_RESOLVE(struct gb_data_base_type *,ie,rel_ie_gbd) #define GB_INDEX_FILES_NEXT(ixf) GB_RESOLVE(struct gb_index_files_struct *,ixf,rel_if_next) #define GB_INDEX_FILES_ENTRIES(if) GB_RESOLVE(GB_REL_IFES *,if,rel_entries) #define GBCONTAINER_IFS(gbc) GB_RESOLVE(struct gb_index_files_struct *,gbc,rel_ifs) #define GB_EXTERN_DATA_DATA(ex) GB_RESOLVE(char*,(&(ex)),rel_data) #endif /* -------------------------------------------------------------------------------- */ #ifdef __cplusplus inline void SET_GB_HEADER_LIST_GBD(struct gb_header_list_struct& hl, GBDATA *gbd) { GB_SETREL(&hl, rel_hl_gbd, gbd); } inline void SET_GB_DATA_LIST_HEADER(struct gb_data_list& dl, struct gb_header_list_struct *head) { GB_SETREL(&dl, rel_header, head); } inline void SET_GB_IF_ENTRIES_NEXT(struct gb_if_entries *ie, struct gb_if_entries *next) { GB_SETREL(ie, rel_ie_next, next); } inline void SET_GB_IF_ENTRIES_GBD(struct gb_if_entries *ie, GBDATA *gbd) { GB_SETREL(ie, rel_ie_gbd, gbd); } inline void SET_GB_INDEX_FILES_NEXT(struct gb_index_files_struct *ixf, struct gb_index_files_struct *next) { GB_SETREL(ixf, rel_if_next, next); } inline void SET_GB_INDEX_FILES_ENTRIES(struct gb_index_files_struct *ixf, struct gb_if_entries **entries) { GB_SETREL(ixf, rel_entries, entries); } inline void SET_GBCONTAINER_IFS(GBCONTAINER *gbc, struct gb_index_files_struct *ifs) { GB_SETREL(gbc, rel_ifs, ifs); } inline void SET_GB_EXTERN_DATA_DATA(struct gb_extern_data& ex, char *data) { GB_SETREL(&ex, rel_data, data); } #else # define SET_GB_HEADER_LIST_GBD(hl,gbd) GB_SETREL((&(hl)),rel_hl_gbd,gbd) # define SET_GB_DATA_LIST_HEADER(dl,head) GB_SETREL((&(dl)),rel_header,head) # define SET_GB_IF_ENTRIES_NEXT(ie,next) GB_SETREL(ie,rel_ie_next,next) # define SET_GB_IF_ENTRIES_GBD(ie,gbd) GB_SETREL(ie,rel_ie_gbd,gbd) # define SET_GB_INDEX_FILES_NEXT(if,next) GB_SETREL(if,rel_if_next,next) # define SET_GB_INDEX_FILES_ENTRIES(if,entries) GB_SETREL(if,rel_entries,entries) # define SET_GBCONTAINER_IFS(gbc,ifs) GB_SETREL(gbc,rel_ifs,ifs) # define SET_GB_EXTERN_DATA_DATA(ex,data) GB_SETREL((&(ex)),rel_data,data) #endif /* -------------------------------------------------------------------------------- */ #define HAS_FATHER(gbd) ((gbd)->rel_father != NULL) #ifdef __cplusplus inline GBCONTAINER* GB_FATHER(GBDATA *gbd) { return GB_RESOLVE(struct gb_data_base_type2 *,gbd,rel_father); } inline GBCONTAINER* GB_FATHER(GBCONTAINER *gbc) { return GB_RESOLVE(struct gb_data_base_type2 *,gbc,rel_father); } inline void SET_GB_FATHER(GBDATA *gbd, GBCONTAINER *father) { GB_SETREL(gbd, rel_father, father); } inline void SET_GB_FATHER(GBCONTAINER *gbc, GBCONTAINER *father) { GB_SETREL(gbc, rel_father, father); } inline GBCONTAINER* GB_GRANDPA(GBDATA *gbd) { return GB_FATHER(GB_FATHER(gbd)); } inline GBDATA *EXISTING_GBCONTAINER_ELEM(GBCONTAINER *gbc,int idx) { return GB_HEADER_LIST_GBD(GB_DATA_LIST_HEADER((gbc)->d)[idx]); } inline GBDATA *GBCONTAINER_ELEM(GBCONTAINER *gbc,int idx) { if (idxd.nheader) return EXISTING_GBCONTAINER_ELEM(gbc, idx); return (GBDATA*)0; } inline void SET_GBCONTAINER_ELEM(GBCONTAINER *gbc, int idx, GBDATA *gbd) { SET_GB_HEADER_LIST_GBD(GB_DATA_LIST_HEADER(gbc->d)[idx], gbd); } // inline GB_MAIN_TYPE *GBCONTAINER_MAIN(GBCONTAINER *gbc) { return gb_main_array[(gbc->main_idx) % GB_MAIN_ARRAY_SIZE]; } inline GB_MAIN_TYPE *GBCONTAINER_MAIN(GBCONTAINER *gbc) { return gb_main_array[gbc->main_idx]; } inline GB_MAIN_TYPE *GB_MAIN(GBDATA *gbd) { return GBCONTAINER_MAIN(GB_FATHER(gbd)); } inline GB_MAIN_TYPE *GB_MAIN(GBCONTAINER *gbc) { return GBCONTAINER_MAIN(gbc); } #else # define GB_FATHER(gbd) GB_RESOLVE(struct gb_data_base_type2 *,gbd,rel_father) # define SET_GB_FATHER(gbd,father) GB_SETREL(gbd,rel_father,father) # define GB_GRANDPA(gbd) GB_FATHER(GB_FATHER(gbd)) # define EXISTING_GBCONTAINER_ELEM(gbc,idx) (GB_HEADER_LIST_GBD(GB_DATA_LIST_HEADER((gbc)->d)[idx])) # define GBCONTAINER_ELEM(gbc,idx) ((struct gb_data_base_type *)((idx)<(gbc)->d.nheader ? EXISTING_GBCONTAINER_ELEM(gbc, idx) : NULL)) # define SET_GBCONTAINER_ELEM(gbc,idx,gbd) SET_GB_HEADER_LIST_GBD(GB_DATA_LIST_HEADER((gbc)->d)[idx],gbd) // # define GBCONTAINER_MAIN(gbc) gb_main_array[((gbc)->main_idx) % GB_MAIN_ARRAY_SIZE] # define GBCONTAINER_MAIN(gbc) gb_main_array[(gbc)->main_idx] # define GB_MAIN(gbd) GBCONTAINER_MAIN(GB_FATHER(gbd)) #endif /********************* SOME FLAGS ******************/ #ifdef __cplusplus inline int GB_KEY_QUARK(GBDATA *gbd) { return GB_DATA_LIST_HEADER(GB_FATHER(gbd)->d)[gbd->index].flags.key_quark; } inline char *GB_KEY(GBDATA *gbd) { return GB_MAIN(gbd)->keys[GB_KEY_QUARK(gbd)].key; } inline GB_TYPES GB_TYPE(GBDATA *gbd) { return GB_TYPES(gbd->flags.type); } inline GB_TYPES GB_TYPE(GBCONTAINER *gbd) { return GB_TYPES(gbd->flags.type); } inline GB_TYPES GB_TYPE_TS(struct gb_transaction_save *ts) { return GB_TYPES(ts->flags.type); } inline gb_header_flags& GB_ARRAY_FLAGS(GBDATA *gbd) { return GB_DATA_LIST_HEADER(GB_FATHER(gbd)->d)[gbd->index].flags; } inline gb_header_flags& GB_ARRAY_FLAGS(GBCONTAINER *gbc) { return GB_DATA_LIST_HEADER(GB_FATHER(gbc)->d)[gbc->index].flags; } #else #define GB_KEY_QUARK(gbd) (GB_DATA_LIST_HEADER(GB_FATHER(gbd)->d)[(gbd)->index].flags.key_quark) #define GB_KEY(gbd) (GB_MAIN(gbd)->keys[GB_KEY_QUARK(gbd)].key) #define GB_TYPE(gbd) ((GB_TYPES)(gbd)->flags.type) // return type was 'int', changed 11.Mai.07 hopefully w/o harm --ralf #define GB_TYPE_TS(ts) ((GB_TYPES)(ts)->flags.type) #define GB_ARRAY_FLAGS(gbd) (GB_DATA_LIST_HEADER(GB_FATHER(gbd)->d)[(gbd)->index].flags) #endif /********************* INDEX ******************/ # define GB_GBM_INDEX(gbd) ((gbd)->flags2.gbm_index) #ifdef __cplusplus inline long GB_QUARK_2_GBMINDEX(GB_MAIN_TYPE *Main, int key_quark) { return (Main->keys[key_quark].nrefkeys[key_quark].nrefcompression_mask) && size>=GBTUM_SHORT_STRING_SIZE; } inline void GB_TEST_TRANSACTION(GBDATA *gbd) { if (!GB_MAIN(gbd)->transaction) { GBK_terminate("No running transaction"); } } #else #define GB_COMPRESSION_ENABLED(gbd,size) ((!GB_MAIN(gbd)->compression_mask) && (size)>=GBTUM_SHORT_STRING_SIZE) #define GB_TEST_TRANSACTION(gbd) \ do { \ if (!GB_MAIN(gbd)->transaction) { \ GBK_terminate("No running transaction"); \ } \ } while(0) #endif // __cplusplus #define GB_TEST_READ(gbd,ty,error) \ do { \ GB_TEST_TRANSACTION(gbd); \ if (GB_ARRAY_FLAGS(gbd).changed == gb_deleted) { \ GB_internal_errorf("%s: %s",error,"Entry is deleted !!"); \ return 0;} \ if ( GB_TYPE(gbd) != ty && (ty != GB_STRING || GB_TYPE(gbd) == GB_LINK)) { \ GB_internal_errorf("%s: %s",error,"wrong type"); \ return 0;} \ } while(0) #define GB_TEST_WRITE(gbd,ty,gerror) \ do { \ GB_TEST_TRANSACTION(gbd); \ if ( GB_ARRAY_FLAGS(gbd).changed == gb_deleted) { \ GB_internal_errorf("%s: %s",gerror,"Entry is deleted !!"); \ return 0;} \ if ( GB_TYPE(gbd) != ty && (ty != GB_STRING || GB_TYPE(gbd) != GB_LINK)) { \ GB_internal_errorf("%s: %s",gerror,"type conflict !!"); \ return 0;} \ if (GB_GET_SECURITY_WRITE(gbd)>GB_MAIN(gbd)->security_level) \ return gb_security_error(gbd); \ } while(0) #define GB_TEST_NON_BUFFER(x,gerror) \ do { \ if (GB_is_in_buffer(x)) { \ GBK_terminatef("%s: you are not allowed to write any data, which you get by pntr", gerror); \ } \ } while(0) /********************* INDEX CHECK ******************/ #ifdef __cplusplus inline void GB_INDEX_CHECK_IN(GBDATA *gbd) { if (gbd->flags2.tisa_index) gb_index_check_in(gbd); } inline void GB_INDEX_CHECK_OUT(GBDATA *gbd) { if ((gbd)->flags2.is_indexed) gb_index_check_out(gbd); } #else #define GB_INDEX_CHECK_IN(gbd) do { if ((gbd)->flags2.tisa_index) gb_index_check_in(gbd); } while(0) #define GB_INDEX_CHECK_OUT(gbd) do { if ((gbd)->flags2.is_indexed) gb_index_check_out(gbd); } while(0) #endif // __cplusplus /********************* EXTENDED DATA ******************/ #ifdef __cplusplus inline struct gb_callback *GB_GET_EXT_CALLBACKS(GBDATA *gbd) { return gbd->ext ? gbd->ext->callback : 0; } inline long GB_GET_EXT_CREATION_DATE(GBDATA *gbd) { return gbd->ext ? gbd->ext->creation_date : 0; } inline long GB_GET_EXT_UPDATE_DATE(GBDATA *gbd) { return gbd->ext ? gbd->ext->update_date : 0; } inline struct gb_transaction_save *GB_GET_EXT_OLD_DATA(GBDATA *gbd) { return gbd->ext ? gbd->ext->old : 0; } inline struct gb_cache_struct& GB_GET_CACHE(GB_MAIN_TYPE *gbmain) { return gbmain->cache; } inline void GB_SET_CACHE(GB_MAIN_TYPE *gbmain, struct gb_cache_struct& val) { gbmain->cache = val; } inline void GB_CREATE_EXT(GBDATA *gbd) { if (!gbd->ext) gb_create_extended(gbd); } inline void _GB_DELETE_EXT(GBDATA *gbd, long gbm_index) { if (gbd->ext) { gbm_free_mem((char *) gbd->ext, sizeof(struct gb_db_extended), gbm_index); gbd->ext = 0; } } #else #define GB_GET_EXT_CALLBACKS(gbd) (((gbd)->ext)?(gbd)->ext->callback:0) #define GB_GET_EXT_CREATION_DATE(gbd) (((gbd)->ext)?(gbd)->ext->creation_date:0) #define GB_GET_EXT_UPDATE_DATE(gbd) (((gbd)->ext)?(gbd)->ext->update_date:0) #define GB_GET_EXT_OLD_DATA(gbd) (((gbd)->ext)?(gbd)->ext->old:0) #define GB_GET_CACHE(gbd) ((gbd)->cache) #define GB_SET_CACHE(gbd,val) do { (gbd)->cache = (val); } while(0) #define GB_CREATE_EXT(gbd) do { if (!(gbd)->ext) gb_create_extended(gbd); } while(0) #define _GB_DELETE_EXT(gbd, gbm_index) \ do { \ if ((gbd)->ext) { \ gbm_free_mem((char *) (gbd)->ext, sizeof(struct gb_db_extended), gbm_index); \ (gbd)->ext = 0; \ } \ } while(0) #endif /********************* DATA ACCESS ******************/ #ifdef __cplusplus inline long GB_GETSIZE(const GBDATA *gbd) { return gbd->flags2.extern_data ? gbd->info.ex.size : gbd->info.istr.size; } inline long GB_GETMEMSIZE(const GBDATA *gbd) { return gbd->flags2.extern_data ? gbd->info.ex.memsize : gbd->info.istr.memsize; } inline char *GB_GETDATA(GBDATA *gbd) { return gbd->flags2.extern_data ? GB_EXTERN_DATA_DATA(gbd->info.ex) : &((gbd)->info.istr.data[0]); } inline long GB_GETSIZE_TS(struct gb_transaction_save *ts) { return ts->flags2.extern_data ? ts->info.ex.size : ts->info.istr.size; } inline long GB_GETMEMSIZE_TS(struct gb_transaction_save *ts) { return ts->flags2.extern_data ? ts->info.ex.memsize : ts->info.istr.memsize; } inline char *GB_GETDATA_TS(struct gb_transaction_save *ts) { return ts->flags2.extern_data ? ts->info.ex.data : &(ts->info.istr.data[0]); } #else #define GB_GETSIZE(gbd) (((gbd)->flags2.extern_data) ? (gbd)->info.ex.size : (gbd)->info.istr.size) #define GB_GETMEMSIZE(gbd) (((gbd)->flags2.extern_data) ? (gbd)->info.ex.memsize : (gbd)->info.istr.memsize) #define GB_GETDATA(gbd) (((gbd)->flags2.extern_data) ? GB_EXTERN_DATA_DATA((gbd)->info.ex) : &((gbd)->info.istr.data[0])) #define GB_GETSIZE_TS(ts) GB_GETSIZE(ts) #define GB_GETMEMSIZE_TS(ts) GB_GETMEMSIZE(ts) #define GB_GETDATA_TS(ts) (((ts)->flags2.extern_data) ? ts->info.ex.data : & ((ts)->info.istr.data[0])) #endif /********************* DATA MODIFY ******************/ #ifdef __cplusplus inline void GB_FREE_TRANSACTION_SAVE(GBDATA *gbd) { if (gbd->ext && gbd->ext->old) { gb_del_ref_gb_transaction_save(gbd->ext->old); gbd->ext->old = NULL; } } /* frees local data */ inline void GB_FREEDATA(GBDATA *gbd) { GB_INDEX_CHECK_OUT(gbd); if (gbd->flags2.extern_data && GB_EXTERN_DATA_DATA(gbd->info.ex)) { gbm_free_mem(GB_EXTERN_DATA_DATA(gbd->info.ex), (size_t)(gbd->info.ex.memsize), GB_GBM_INDEX(gbd)); SET_GB_EXTERN_DATA_DATA(gbd->info.ex,0); } } #else #define GB_FREE_TRANSACTION_SAVE(gbd) \ do { \ if ((gbd)->ext && (gbd)->ext->old) { \ gb_del_ref_gb_transaction_save((gbd)->ext->old); \ (gbd)->ext->old = NULL; \ } \ } while(0) /* frees local data */ #define GB_FREEDATA(gbd) \ do { \ GB_INDEX_CHECK_OUT(gbd); \ if ((gbd)->flags2.extern_data && GB_EXTERN_DATA_DATA((gbd)->info.ex)) { \ gbm_free_mem(GB_EXTERN_DATA_DATA((gbd)->info.ex), (size_t)((gbd)->info.ex.memsize), GB_GBM_INDEX(gbd)); \ SET_GB_EXTERN_DATA_DATA((gbd)->info.ex,0); \ } \ } while(0) #endif #ifdef __cplusplus inline GB_BOOL GB_CHECKINTERN(int size, int memsize) { return size<256 && memsizeflags2.extern_data = 0; } inline void GB_SETEXTERN(GBDATA *gbd) { gbd->flags2.extern_data = 1; } #else #define GB_CHECKINTERN(size,memsize) (((int)(size) < 256) && ((int)(memsize) < SIZOFINTERN)) #define GB_SETINTERN(gbd) (gbd)->flags2.extern_data = 0 #define GB_SETEXTERN(gbd) (gbd)->flags2.extern_data = 1 #endif /** insert external data into any db. field Warning: this function has a lot of side effects: 1. extern_data must be set by the user before calling this 2. if !extern_data the data is not set -> better use GB_SETSMDMALLOC */ #ifdef __cplusplus inline void GB_SETSMD(GBDATA *gbd, long siz, long memsiz, char *dat) { if (gbd->flags2.extern_data) { gbd->info.ex.size = siz; gbd->info.ex.memsize = memsiz; SET_GB_EXTERN_DATA_DATA(gbd->info.ex,dat); }else{ gbd->info.istr.size = (unsigned char)siz; gbd->info.istr.memsize = (unsigned char)memsiz; } GB_INDEX_CHECK_IN(gbd); } inline void GB_SETSMDMALLOC(GBDATA *gbd, long siz, long memsiz, char *dat) { gb_assert(dat); if (GB_CHECKINTERN(siz,memsiz)) { GB_SETINTERN(gbd); gbd->info.istr.size = (unsigned char)siz; gbd->info.istr.memsize = (unsigned char)memsiz; if (dat) memcpy(&(gbd->info.istr.data[0]), (char *)dat, (size_t)(memsiz)); }else{ char *exData; GB_SETEXTERN(gbd); gbd->info.ex.size = siz; gbd->info.ex.memsize = memsiz; exData = gbm_get_mem((size_t)memsiz,GB_GBM_INDEX(gbd)); SET_GB_EXTERN_DATA_DATA(gbd->info.ex,exData); if (dat) memcpy(exData, (char *)dat, (size_t)(memsiz)); } GB_INDEX_CHECK_IN(gbd); } inline void GB_SETSMDMALLOC_UNINITIALIZED(GBDATA *gbd, long siz, long memsiz) { if (GB_CHECKINTERN(siz,memsiz)) { GB_SETINTERN(gbd); gbd->info.istr.size = (unsigned char)siz; gbd->info.istr.memsize = (unsigned char)memsiz; }else{ char *exData; GB_SETEXTERN(gbd); gbd->info.ex.size = siz; gbd->info.ex.memsize = memsiz; exData = gbm_get_mem((size_t)memsiz,GB_GBM_INDEX(gbd)); SET_GB_EXTERN_DATA_DATA(gbd->info.ex,exData); } GB_INDEX_CHECK_IN(gbd); } #else #define GB_SETSMD(gbd,siz,memsiz,dat) \ do { \ if ((gbd)->flags2.extern_data) { \ (gbd)->info.ex.size = (siz); \ (gbd)->info.ex.memsize = (memsiz); \ SET_GB_EXTERN_DATA_DATA((gbd)->info.ex,(dat)); \ }else{ \ (gbd)->info.istr.size = (unsigned char)(siz); \ (gbd)->info.istr.memsize = (unsigned char)(memsiz); \ } \ GB_INDEX_CHECK_IN(gbd); \ } while(0) /** copies any data into any db field */ #define GB_SETSMDMALLOC(gbd,siz,memsiz,dat) \ do { \ gb_assert(dat); \ if (GB_CHECKINTERN(siz,memsiz)) { \ GB_SETINTERN(gbd); \ (gbd)->info.istr.size = (unsigned char)(siz); \ (gbd)->info.istr.memsize = (unsigned char)(memsiz); \ if (dat) memcpy(&((gbd)->info.istr.data[0]), (char *)(dat), (size_t)(memsiz)); \ }else{ \ char *exData; \ GB_SETEXTERN(gbd); \ (gbd)->info.ex.size = (siz); \ (gbd)->info.ex.memsize = (memsiz); \ exData = gbm_get_mem((size_t)(memsiz),GB_GBM_INDEX(gbd)); \ SET_GB_EXTERN_DATA_DATA((gbd)->info.ex,exData); \ if (dat) memcpy(exData, (char *)(dat), (size_t)(memsiz)); \ } \ GB_INDEX_CHECK_IN(gbd); \ }while(0) /** allocate data */ #define GB_SETSMDMALLOC_UNINITIALIZED(gbd,siz,memsiz) \ do { \ if (GB_CHECKINTERN(siz,memsiz)) { \ GB_SETINTERN(gbd); \ (gbd)->info.istr.size = (unsigned char)(siz); \ (gbd)->info.istr.memsize = (unsigned char)(memsiz); \ }else{ \ char *exData; \ GB_SETEXTERN(gbd); \ (gbd)->info.ex.size = (siz); \ (gbd)->info.ex.memsize = (memsiz); \ exData = gbm_get_mem((size_t)(memsiz),GB_GBM_INDEX(gbd)); \ SET_GB_EXTERN_DATA_DATA((gbd)->info.ex,exData); \ } \ GB_INDEX_CHECK_IN(gbd); \ }while(0) #endif /********************* UNDO ******************/ /** copy all info + external data mem to an one step undo buffer (to abort a transaction */ #ifdef __cplusplus inline void _GB_CHECK_IN_UNDO_DELETE(GB_MAIN_TYPE *Main, GBDATA *gbd) { if (Main->undo_type) gb_check_in_undo_delete(Main,gbd,0); else gb_delete_entry(gbd); } inline void _GB_CHECK_IN_UNDO_CREATE(GB_MAIN_TYPE *Main, GBDATA *gbd) { if (Main->undo_type) gb_check_in_undo_create(Main,gbd); } inline void _GB_CHECK_IN_UNDO_MODIFY(GB_MAIN_TYPE *Main, GBDATA *gbd) { if (Main->undo_type) gb_check_in_undo_modify(Main,gbd); } inline void STATIC_BUFFER(char*& strvar, int minlen) { ad_assert(minlen > 0); if (strvar && (strlen(strvar) < (size_t)(minlen-1))) { freeset(strvar, NULL); } if (!strvar) strvar=(char*)GB_calloc(minlen,1); } #else #define _GB_CHECK_IN_UNDO_DELETE(Main,gbd) \ do { \ if ((Main)->undo_type) gb_check_in_undo_delete(Main,gbd,0); \ else gb_delete_entry(&(gbd)); \ } while(0) #define _GB_CHECK_IN_UNDO_CREATE(Main,gbd) \ do { \ if ((Main)->undo_type) gb_check_in_undo_create(Main,gbd); \ } while(0) #define _GB_CHECK_IN_UNDO_MODIFY(Main,gbd) \ do { \ if ((Main)->undo_type) gb_check_in_undo_modify(Main,gbd); \ } while(0) #define STATIC_BUFFER(strvar,static_buffer_minlen) \ do { \ ad_assert(static_buffer_minlen > 0); \ size_t static_buffer_len = (static_buffer_minlen); \ if ((strvar) && (strlen(strvar) < (static_buffer_len-1))) { \ freeset(strvar, NULL); \ } \ if (!(strvar)) (strvar)=(char*)GB_calloc(static_buffer_len,1); \ } while(0) #endif ./arbsrc_9167/ARBDB/ad_load.c0000644012664100000130000015672411656765614015540 0ustar arb_buildcoders#include #include #include #include /* #include */ #include #include #include #include /*#include "arbdb.h"*/ #include "adlocal.h" #include "admap.h" #include "arbdbt.h" #define READING_BUFFER_SIZE (1024*32) /* ------------------------------------------ */ /* helper code to read ascii file in portions */ /* ----------------------- */ /* ReadingBuffer */ /* ----------------------- */ typedef struct reading_buffer_S { char *data; struct reading_buffer_S *next; int read_bytes; } *ReadingBuffer; static ReadingBuffer unused_reading_buffers = 0; #if defined(DEBUG) /* #define CHECK_RELEASED_BUFFERS */ #endif /* DEBUG */ #if defined(CHECK_RELEASED_BUFFERS) static int is_a_unused_reading_buffer(ReadingBuffer rb) { if (unused_reading_buffers) { ReadingBuffer check = unused_reading_buffers; for (; check; check = check->next) { if (check == rb) return 1; } } return 0; } #endif /* CHECK_RELEASED_BUFFERS */ static ReadingBuffer allocate_ReadingBuffer() { ReadingBuffer rb = malloc(sizeof(*rb)+READING_BUFFER_SIZE); rb->data = ((char*)rb)+sizeof(*rb); rb->next = 0; rb->read_bytes = 0; return rb; } static void release_ReadingBuffers(ReadingBuffer rb) { ReadingBuffer last = rb; #if defined(CHECK_RELEASED_BUFFERS) gb_assert(!is_a_unused_reading_buffer(rb)); #endif /* CHECK_RELEASED_BUFFERS */ while (last->next) { last = last->next; #if defined(CHECK_RELEASED_BUFFERS) gb_assert(!is_a_unused_reading_buffer(last)); #endif /* CHECK_RELEASED_BUFFERS */ } gb_assert(last && !last->next); last->next = unused_reading_buffers; unused_reading_buffers = rb; } static void free_ReadingBuffer(ReadingBuffer rb) { if (rb) { if (rb->next) free_ReadingBuffer(rb->next); free(rb); } } static ReadingBuffer read_another_block(FILE *in) { ReadingBuffer buf = 0; if (unused_reading_buffers) { buf = unused_reading_buffers; unused_reading_buffers = buf->next; buf->next = 0; buf->read_bytes = 0; } else { buf = allocate_ReadingBuffer(); } buf->read_bytes = fread(buf->data, 1, READING_BUFFER_SIZE, in); return buf; } /* ---------------- */ /* Reader */ /* ---------------- */ typedef struct reader_S { FILE *in; ReadingBuffer first; // allocated GB_ERROR error; ReadingBuffer current; // only reference size_t current_offset; // into 'current->data' char *current_line; int current_line_allocated; // whether 'current_line' was allocated size_t current_line_size; // size of 'current_line' (valid if current_line_allocated == 1) size_t line_number; } *Reader; typedef unsigned long ReaderPos; // absolute position (relative to ReadingBuffer 'first') #define NOPOS (-1UL) static Reader openReader(FILE *in) { Reader r = malloc(sizeof(*r)); gb_assert(unused_reading_buffers == 0); r->in = in; r->error = 0; r->first = read_another_block(r->in); r->current_offset = 0; r->current = r->first; r->current_line = 0; r->current_line_allocated = 0; r->line_number = 0; return r; } static void freeCurrentLine(Reader r) { if (r->current_line_allocated && r->current_line) { free(r->current_line); r->current_line_allocated = 0; } } static GB_ERROR closeReader(Reader r) { GB_ERROR error = r->error; free_ReadingBuffer(r->first); free_ReadingBuffer(unused_reading_buffers); unused_reading_buffers = 0; freeCurrentLine(r); free(r); return error; } static void releasePreviousBuffers(Reader r) { /* Release all buffers before current position. * Warning: This invalidates all offsets! */ ReadingBuffer last_rel = 0; ReadingBuffer old_first = r->first; while (r->first != r->current) { last_rel = r->first; r->first = r->first->next; } if (last_rel) { last_rel->next = 0; // avoid to release 'current' release_ReadingBuffers(old_first); r->first = r->current; } } static char *getPointer(const Reader r) { return r->current->data + r->current_offset; } static ReaderPos getPosition(const Reader r) { ReaderPos p = 0; ReadingBuffer b = r->first; while (b != r->current) { ad_assert(b); p += b->read_bytes; b = b->next; } p += r->current_offset; return p; } static int gotoNextBuffer(Reader r) { if (!r->current->next) { if (r->current->read_bytes < READING_BUFFER_SIZE) { // eof return 0; } r->current->next = read_another_block(r->in); } r->current = r->current->next; r->current_offset = 0; return r->current != 0; } static int movePosition(Reader r, int offset) { int rest = r->current->read_bytes - r->current_offset - 1; gb_assert(offset >= 0); // not implemented for negative offsets if (rest >= offset) { r->current_offset += offset; return 1; } if (gotoNextBuffer(r)) { offset -= rest+1; return offset == 0 ? 1 : movePosition(r, offset); } // in last buffer and position behind end -> position after last element // (Note: last buffer cannot be full - only empty) r->current_offset = r->current->read_bytes; return 0; } static int gotoChar(Reader r, char lookfor) { const char *data = r->current->data + r->current_offset; size_t size = r->current->read_bytes-r->current_offset; char *found = memchr(data, lookfor, size); if (found) { r->current_offset += (found-data); return 1; } if (gotoNextBuffer(r)) { return gotoChar(r, lookfor); } // in last buffer and char not found -> position after last element // (Note: last buffer cannot be full - only empty) r->current_offset = r->current->read_bytes; return 0; } char *getLine(Reader r) { releasePreviousBuffers(r); { ReaderPos start = getPosition(r); ReadingBuffer start_buffer = r->current; char *start_ptr = getPointer(r); int eol_found = gotoChar(r, '\n'); // now current position is on EOL or EOF ReaderPos eol = getPosition(r); ReadingBuffer eol_buffer = r->current; char *eol_ptr = getPointer(r); movePosition(r, 1); if (start_buffer == eol_buffer) { // start and eol in one ReadingBuffer -> no copy freeCurrentLine(r); r->current_line = start_ptr; r->current_line_allocated = 0; eol_ptr[0] = 0; // eos } else { // otherwise build a copy of the string size_t line_length = eol-start+1; char *bp; size_t len; if (r->current_line_allocated == 0 || r->current_line_size < line_length) { // need alloc freeCurrentLine(r); r->current_line = malloc(line_length); r->current_line_size = line_length; r->current_line_allocated = 1; gb_assert(r->current_line); } // copy contents of first buffer bp = r->current_line; len = start_buffer->read_bytes - (start_ptr-start_buffer->data); memcpy(bp, start_ptr, len); bp += len; start_buffer = start_buffer->next; // copy contents of middle buffers while (start_buffer != eol_buffer) { memcpy(bp, start_buffer->data, start_buffer->read_bytes); bp += start_buffer->read_bytes; start_buffer = start_buffer->next; } // copy contents from last buffer len = eol_ptr-start_buffer->data; memcpy(bp, start_buffer->data, len); bp += len; bp[0] = 0; // eos } if (!eol_found && r->current_line[0] == 0) return 0; // signal eof } ++r->line_number; return r->current_line; } /******************************************************************************************** Versions: ASCII V0 - 20.6.95 V1 Full save V2 Differential save V3 May read from stdin. Skipped support for old ASCII format. ********************************************************************************************/ static char *getToken(char **line) { char *token = *line; (*line) += strcspn(*line, " \t"); if ((*line)[0]) { // sth follows behind token (*line)[0] = 0; // terminate token (*line)++; (*line) += strspn(*line, " \t"); // goto next token } return token; } static GB_ERROR set_protection_level(GB_MAIN_TYPE *Main, GBDATA *gbd, const char *p) { int secr, secw, secd, lu; GB_ERROR error = 0; secr = secw = secd = 0; lu = 0; if (p && p[0] == ':') { long i; secd = p[1]; A_TO_I(secd); secw = p[2]; A_TO_I(secw); secr = p[3]; A_TO_I(secr); if (secd<0 || secd>7) error = GBS_global_string("Illegal protection level %i", secd); else if (secw<0 || secw>7) error = GBS_global_string("Illegal protection level %i", secw); else if (secr<0 || secr>7) error = GBS_global_string("Illegal protection level %i", secr); lu = atoi(p+4); for (i=Main->last_updated; i<=lu; ++i) { Main->dates[i] = strdup("unknown date"); Main->last_updated = lu+1; } } if (!error) { gbd->flags.security_delete = secd; gbd->flags.security_write = secw; gbd->flags.security_read = secr; gbd->flags2.last_updated = lu; } return error; } static GB_ERROR gb_parse_ascii_rek(Reader r, GBCONTAINER *gb_parent, const char *parent_name) { /* if parent_name == 0 -> we are parsing at root-level */ GB_ERROR error = 0; int done = 0; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gb_parent); while (!error && !done) { char *line = getLine(r); if (!line) break; rest: line += strspn(line, " \t"); // goto first non-whitespace if (line[0]) { // not empty if (line[0] == '/' && line[1] == '*') { // comment char *eoc = strstr(line+2, "*/"); if (eoc) { line = eoc+2; goto rest; } error = "expected '*/'"; } else { // real content char *name = getToken(&line); if (name[0] == '%' && name[1] == ')' && !name[2]) { // close container if (!parent_name) { error = "Unexpected '%)' (not allowed outside container)"; } else { if (line[0] == '/' && line[1] == '*') { // comment at container-end char *eoc = strstr(line+2, "*/"); if (!eoc) { error = "expected '*/'"; } else { line += 2; *eoc = 0; if (strcmp(line, parent_name) != 0) { fprintf(stderr, "Warning: comment at end of container ('%s') does not match name of container ('%s').\n" " (might be harmless if you've edited the file and did not care about these comments)\n", line, parent_name); } line = eoc+2; } } done = 1; } } else { char *protection = 0; if (line[0] == ':') { // protection level protection = getToken(&line); } if (line[0] == '%') { char *type = getToken(&line); if (type[1] == 0 || type[2] != 0) { error = GBS_global_string("Syntax error in type '%s' (expected %% and 1 more character)", type); } else { if (type[1] == '%') { // container if (line[0] == '(' && line[1] == '%') { char *cont_name = strdup(name); GBCONTAINER *gbc = gb_make_container(gb_parent, cont_name, -1, 0); protection = protection ? strdup(protection) : 0; error = gb_parse_ascii_rek(r, gbc, cont_name); // caution: most buffer variables are invalidated NOW! if (!error) error = set_protection_level(Main, (GBDATA*)gbc, protection); free(protection); free(cont_name); } else { error = "Expected '(%' after '%%'"; } } else { GB_TYPES gb_type = GB_NONE; switch (type[1]) { case 'i': gb_type = GB_INT; break; case 'l': gb_type = GB_LINK; break; case 'y': gb_type = GB_BYTE; break; case 'f': gb_type = GB_FLOAT; break; case 'I': gb_type = GB_BITS; break; case 'Y': gb_type = GB_BYTES; break; case 'N': gb_type = GB_INTS; break; case 'F': gb_type = GB_FLOATS; break; default: error = GBS_global_string("Unknown type '%s'", type); break; } if (!error) { GBDATA *gb_new; gb_assert(gb_type != GB_NONE); gb_new = gb_make_entry(gb_parent, name, -1, 0, gb_type); if (!gb_new) error = GB_await_error(); else { switch (type[1]) { case 'i': error = GB_write_int(gb_new, atoi(line)); break; case 'l': error = GB_write_link(gb_new, line); break; case 'y': error = GB_write_byte(gb_new, atoi(line)); break; case 'f': error = GB_write_float(gb_new, GB_atof(line)); break; case 'I': { int len = strlen(line); gb_assert(line[0] == '\"'); gb_assert(line[len-1] == '\"'); error = GB_write_bits(gb_new, line+1, len-2, "-"); break; } case 'Y': if (gb_ascii_2_bin(line, gb_new)) error = "syntax error in byte-array"; break; case 'N': if (gb_ascii_2_bin(line, gb_new)) error = "syntax error in int-array"; break; case 'F': if (gb_ascii_2_bin(line, gb_new)) error = "syntax error in float-array"; break; default : gb_assert(0); // forgot a case ? } if (!error) error = set_protection_level(Main, gb_new, protection); } } } } } else { if (line[0] != '\"') { error = GBS_global_string("Unexpected content '%s'", line); } else { // string entry char *string_start = line+1; char *end = GBS_fconvert_string(string_start); if (!end) error = "Cannot convert string (contains zero char)"; else { GBDATA *gb_string = gb_make_entry(gb_parent, name, -1, 0, GB_STRING); if (!gb_string) error = GB_await_error(); else { error = GB_write_string(gb_string, string_start); if (!error) error = set_protection_level(Main, gb_string, protection); } } } } } } } } return error; } static GB_ERROR gb_parse_ascii(Reader r, GBCONTAINER *gb_parent) { GB_ERROR error = gb_parse_ascii_rek(r, gb_parent, 0); if (error) { error = GBS_global_string("%s in line %zu", error, r->line_number); } return error; } GB_ERROR gb_read_ascii(const char *path, GBCONTAINER *gbd) { /* This loads an ACSII database * if path == "-" -> read from stdin */ FILE *in = 0; GB_ERROR error = 0; int close_file = 0; if (strcmp(path, "-") == 0) { in = stdin; } else { in = fopen(path, "rt"); if (!in) error = GBS_global_string("Can't open '%s'", path); else close_file = 1; } if (!error) { Reader r = openReader(in); GB_ERROR cl_error = 0; GB_search((GBDATA *)gbd,GB_SYSTEM_FOLDER,GB_CREATE_CONTAINER); /* Switch to Version 3 */ error = gb_parse_ascii(r, gbd); cl_error = closeReader(r); if (!error) error = cl_error; } if (close_file) fclose(in); return error; } /******************************************************************************************** Read binary files ********************************************************************************************/ long gb_read_bin_rek(FILE *in,GBCONTAINER *gbd,long nitems,long version,long reversed) { long item; long type,type2; GBQUARK key; char *p; long i; int c; long size; long memsize; GBDATA *gb2; GBCONTAINER *gbc = 0; long security; char *buff; GB_MAIN_TYPE *Main = GB_MAIN(gbd); gb_create_header_array(gbd,(int)nitems); for (item = 0;item>4)&0xf; key = getc(in); if (!key) { p = buff = GB_give_buffer(256); for (i=0;i<256;i++) { c = getc(in); *(p++) = c; if (!c) break; if (c==EOF) { gb_read_bin_error(in,(GBDATA *)gbd,"Unexpected EOF found"); return -1; } } if (i>GB_KEY_LEN_MAX*2) { gb_read_bin_error(in,(GBDATA *)gbd,"Key to long"); return -1; } if (type2 == (long)GB_DB){ gbc = gb_make_container(gbd, buff, -1, 0); gb2 = (GBDATA *)gbc; }else{ gb2 = gb_make_entry(gbd, buff, -1, 0, (GB_TYPES)type2); } }else{ if (type2 == (long)GB_DB){ gbc = gb_make_container(gbd,NULL,-1,key); gb2 = (GBDATA *)gbc; }else{ gb2 = gb_make_entry(gbd,NULL,-1,(GBQUARK)key,(GB_TYPES)type2); } if (!Main->keys[key].key) { GB_internal_error("Some database fields have no field identifier -> setting to 'main'"); gb_write_index_key(GB_FATHER(gbd),gbd->index,0); } } gb2->flags.security_delete = type >> 1; gb2->flags.security_write = ((type&1) << 2 ) + (security >>6); gb2->flags.security_read = security >> 3; gb2->flags.compressed_data = security >> 2; GB_ARRAY_FLAGS(((GBCONTAINER*)gb2)).flags = (int)((security >> 1) & 1); gb2->flags.unused = security >> 0; gb2->flags2.last_updated = getc(in); switch (type2) { case GB_INT: { GB_UINT4 buffer; if (!fread((char*)&buffer,sizeof(GB_UINT4),1,in) ) { GB_export_error("File too short, seems truncated"); return -1; } gb2->info.i = ntohl(buffer); break; } case GB_FLOAT: gb2->info.i = 0; if (!fread((char*)&gb2->info.i,sizeof(float),1,in) ) { return -1; } break; case GB_STRING_SHRT: p = buff = GB_give_buffer(GBTUM_SHORT_STRING_SIZE+2); for (size=0;size<=GBTUM_SHORT_STRING_SIZE;size++) { if (!(*(p++) = getc(in) )) break; } *p=0; GB_SETSMDMALLOC(gb2,size,size+1,buff); break; case GB_STRING: case GB_LINK: case GB_BITS: case GB_BYTES: case GB_INTS: case GB_FLOATS: size = gb_read_in_long(in, reversed); memsize = gb_read_in_long(in, reversed); if (GB_CHECKINTERN(size,memsize) ){ GB_SETINTERN(gb2); p = &(gb2->info.istr.data[0]); }else{ GB_SETEXTERN(gb2); p = GB_give_buffer(memsize); } i = fread(p,1,(size_t)memsize,in); if (i!=memsize) { gb_read_bin_error(in,gb2,"Unexpected EOF found"); return -1; } GB_SETSMDMALLOC(gb2,size,memsize,p); break; case GB_DB: size = gb_read_in_long(in, reversed); /* gbc->d.size is automatically incremented */ memsize = gb_read_in_long(in, reversed); if (gb_read_bin_rek(in,gbc,size,version,reversed)) return -1; break; case GB_BYTE: gb2->info.i = getc(in); break; default: gb_read_bin_error(in,gb2,"Unknown type"); return -1; } } return 0; } long gb_recover_corrupt_file(GBCONTAINER *gbd,FILE *in, GB_ERROR recovery_reason){ /* search pattern dx xx xx xx string 0 */ static FILE *old_in = 0; static unsigned char *file = 0; static long size = 0; long pos = ftell(in); if (!GBCONTAINER_MAIN(gbd)->allow_corrupt_file_recovery) { if (!recovery_reason) { recovery_reason = GB_await_error(); } GB_export_errorf("Aborting recovery (because recovery mode is disabled)\n" "Error causing recovery: '%s'\n" "Part of data may be recovered using 'arb_repair yourDB.arb newName.arb'\n" "(Note: Recovery doesn't work if the error occurs while loading a quick save file)", recovery_reason); return -1; } pos = ftell(in); if (old_in != in) { file = (unsigned char *)GB_map_FILE(in,0); old_in = in; size = GB_size_of_FILE(in); } for (;pos pos+11 && !file[s]) { /* we found something */ gb_local->search_system_folder = 1; return fseek(in,pos,0); } } } return -1; /* no short string found */ } /* #define DEBUG_READ */ #if defined(DEBUG_READ) static void DEBUG_DUMP_INDENTED(long deep, const char *s) { printf("%*s%s\n", (int)deep, "", s); } #else #define DEBUG_DUMP_INDENTED(d, s) #endif /* DEBUG_READ */ long gb_read_bin_rek_V2(FILE *in,GBCONTAINER *gbd,long nitems,long version,long reversed,long deep) { long item; long type,type2; GBQUARK key; char *p; long i; long size; long memsize; int index; GBDATA *gb2; GBCONTAINER *gbc; long security; char *buff; GB_MAIN_TYPE *Main = GB_MAIN(gbd); struct gb_header_list_struct *header; DEBUG_DUMP_INDENTED(deep, GBS_global_string("Reading container with %li items", nitems)); gb_create_header_array(gbd,(int)nitems); header = GB_DATA_LIST_HEADER(gbd->d); if (deep == 0 && GBCONTAINER_MAIN(gbd)->allow_corrupt_file_recovery) { GB_warning("Read to end of file in recovery mode"); nitems = 10000000; /* read forever at highest level */ } for (item = 0;item= gbd->d.nheader ){ gb_create_header_array(gbd,index+1); header = GB_DATA_LIST_HEADER(gbd->d); } if ((gb2 = GB_HEADER_LIST_GBD(header[index]))!=NULL) { gb_delete_entry(&gb2); } else { header[index].flags.ever_changed = 1; header[index].flags.changed = gb_deleted; } break; default: if (gb_recover_corrupt_file(gbd,in, GBS_global_string("Unknown func=%i", func))) return -1; continue; } continue; } security = getc(in); type2 = (type>>4)&0xf; key = (GBQUARK)gb_read_number(in); if (key >= Main->keycnt || !Main->keys[key].key ){ GB_export_error("Inconsistent Database: Changing field identifier to 'main'"); key = 0; } DEBUG_DUMP_INDENTED(deep, GBS_global_string("key='%s' type2=%li", Main->keys[key].key, type2)); gb2 = NULL; gbc = NULL; if (version == 2) { index = (int)gb_read_number(in); if (index >= gbd->d.nheader ) { gb_create_header_array(gbd,index+1); header = GB_DATA_LIST_HEADER(gbd->d); } if (index >= 0 && (gb2 = GB_HEADER_LIST_GBD(header[index]))!=NULL) { if ( (GB_TYPE(gb2) == GB_DB ) != (type2 == GB_DB)) { GB_internal_error("Type changed, you may loose data"); gb_delete_entry(&gb2); SET_GB_HEADER_LIST_GBD(header[index],NULL); } else { if (type2 == GB_DB) gbc = (GBCONTAINER *)gb2; else GB_FREEDATA(gb2); } } } else index = -1; if (!gb2) { if (type2 == (long)GB_DB){ gbc = gb_make_container(gbd,NULL,index, key); gb2 = (GBDATA *)gbc; } else { gb2 = gb_make_entry(gbd,NULL,index, key, (GB_TYPES)type2); GB_INDEX_CHECK_OUT(gb2); } } if (version == 2) { GB_CREATE_EXT(gb2); gb2->ext->update_date = gb2->ext->creation_date = Main->clock; header[gb2->index].flags.ever_changed = 1; }else{ Main->keys[key].nref_last_saved++; } gb2->flags.security_delete = type >> 1; gb2->flags.security_write = ((type&1) << 2 ) + (security >>6); gb2->flags.security_read = security >> 3; gb2->flags.compressed_data = security >> 2; header[gb2->index].flags.flags = (int)((security >> 1) & 1); gb2->flags.unused = security >> 0; gb2->flags2.last_updated = getc(in); switch (type2) { case GB_INT: { GB_UINT4 buffer; if (!fread((char*)&buffer,sizeof(GB_UINT4),1,in) ) { GB_export_error("File too short, seems truncated"); return -1; } gb2->info.i = ntohl(buffer); break; } case GB_FLOAT: if (!fread((char*)&gb2->info.i,sizeof(float),1,in) ) { GB_export_error("File too short, seems truncated"); return -1; } break; case GB_STRING_SHRT: i = GB_give_buffer_size(); p = buff = GB_give_buffer(GBTUM_SHORT_STRING_SIZE+2); size = 0; while(1){ for (;sizeinfo.istr.data[0]); }else{ GB_SETEXTERN(gb2); p = gbm_get_mem((size_t)memsize+1,GB_GBM_INDEX(gb2)); // ralf: added +1 because decompress ran out of this block } i = fread(p,1,(size_t)memsize,in); if (i!=memsize) { gb_read_bin_error(in,gb2,"Unexpected EOF found"); return -1; } GB_SETSMD(gb2,size,memsize,p); break; case GB_DB: size = gb_read_number(in); /* gbc->d.size is automatically incremented */ if (gb_read_bin_rek_V2(in,gbc,size,version,reversed,deep+1)){ if (!GBCONTAINER_MAIN(gbd)->allow_corrupt_file_recovery) { return -1; } } break; case GB_BYTE: gb2->info.i = getc(in); break; default: gb_read_bin_error(in,gb2,"Unknown type"); if (gb_recover_corrupt_file(gbd,in, NULL)){ if (GBCONTAINER_MAIN(gbd)->allow_corrupt_file_recovery){ return 0; /* loading stopped */ }else{ return -1; } } continue; } } return 0; } GBDATA *gb_search_system_folder_rek(GBDATA *gbd) { GBDATA *gb2; GBDATA *gb_result = 0; for (gb2 = GB_child(gbd); gb2; gb2 = GB_nextChild(gb2)) { int type = GB_read_type(gb2); if (type != GB_DB) continue; if (!strcmp(GB_SYSTEM_FOLDER, GB_read_key_pntr(gb2))){ gb_result = gb2; break; } } return gb_result; } void gb_search_system_folder(GBDATA *gb_main){ /* Search a system folder within the database tree * and copy it to main level */ GBDATA *gb_oldsystem; GB_ERROR error; GBDATA *gb_system = GB_entry(gb_main,GB_SYSTEM_FOLDER); if (gb_system) return; GB_warning("Searching system information"); gb_oldsystem = gb_search_system_folder_rek(gb_main); if (!gb_oldsystem){ GB_warning("!!!!! not found (bad)"); return; } gb_system = GB_search(gb_main,GB_SYSTEM_FOLDER,GB_CREATE_CONTAINER); error = GB_copy(gb_system,gb_oldsystem); if (!error) error = GB_delete(gb_oldsystem); if (error) GB_warning(error); GB_warning("***** found (good)"); } long gb_read_bin(FILE *in,GBCONTAINER *gbd, int diff_file_allowed) { int c = 1; long i; long error; long j,k; long version; long reversed; long nodecnt; long first_free_key; char *buffer,*p; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbd); while ( c && c!= EOF ) { c = getc(in); } if (c==EOF){ gb_read_bin_error(in,(GBDATA *)gbd,"First zero not found"); return 1; } i = gb_read_in_long(in,0); if ( strncmp((char *)&i,"vers",4) ) { gb_read_bin_error(in,(GBDATA *)gbd,"keyword 'vers' not found"); return 1; } i = gb_read_in_long(in,0); switch (i) { case 0x01020304: reversed = 0; break; case 0x04030201: reversed = 1; break; default: gb_read_bin_error(in,(GBDATA *)gbd,"keyword '^A^B^C^D' not found"); return 1; } version = gb_read_in_long(in,reversed); if (version >2 ) { gb_read_bin_error(in,(GBDATA *)gbd,"ARB Database version > '2'"); return 1; } if (version == 2 && !diff_file_allowed) { GB_export_error("This is not a primary arb file, please select the master" " file xxx.arb"); return 1; } buffer = GB_give_buffer(256); i = gb_read_in_long(in,0); if ( strncmp((char *)&i,"keys",4) ) { gb_read_bin_error(in,(GBDATA *)gbd,"keyword 'keys' not found"); return 1; } if (!Main->key_2_index_hash) Main->key_2_index_hash = GBS_create_hash(30000, GB_MIND_CASE); first_free_key = 0; gb_free_all_keys(Main); while(1) { /* read keys */ long nrefs = 0; if (version) { nrefs = gb_read_number(in); } p = buffer; for (k=0;;k++) { c = getc(in); if (!c) break; if (c==EOF) { gb_read_bin_error(in,(GBDATA *)gbd,"unexpected EOF while reading keys"); return 1; } *(p++) = c; } *p = 0; if (k > GB_KEY_LEN_MAX) { printf("Warning: Key '%s' exceeds maximum keylength (%i)\n" " Please do NOT create such long keys!\n", buffer, GB_KEY_LEN_MAX); } if (p == buffer) break; if (*buffer == 1) { /* empty key */ long index = gb_create_key(Main,0,GB_FALSE); Main->keys[index].key = 0; Main->keys[index].nref = 0; Main->keys[index].next_free_key = first_free_key; first_free_key = index; } else { long index = gb_create_key(Main,buffer,GB_FALSE); Main->keys[index].nref = nrefs; } } Main->first_free_key = first_free_key; i = gb_read_in_long(in,0); if ( strncmp((char *)&i,"time",4) ) { gb_read_bin_error(in,(GBDATA *)gbd,"keyword 'time' not found"); return 1; } for (j=0;j<255;j++) { /* read times */ p = buffer; for (k=0;k<256;k++) { c = getc(in); if (!c) break; if (c==EOF) { gb_read_bin_error(in,(GBDATA *)gbd,"unexpected EOF while reading times"); return 1; } *(p++) = c; } *p = 0; if (p == buffer) break; freedup(Main->dates[j], buffer); } if (j>=255) { gb_read_bin_error(in,(GBDATA *)gbd,"more than 255 dates are not allowed"); return 1; } Main->last_updated = (unsigned int)j; i = gb_read_in_long(in,0); if ( strncmp((char *)&i,"data",4) ) { gb_read_bin_error(in,(GBDATA *)gbd,"keyword 'data' not found"); return 0; } nodecnt = gb_read_in_long(in,reversed); GB_give_buffer(256); if (version==1) /* teste auf map file falls version == 1 */ { GB_CSTR map_path; int merror; struct gb_map_header mheader; long mode; int ok=0; mode = GB_mode_of_link(Main->path); /* old master */ if (S_ISLNK(mode)){ char *path2 = GB_follow_unix_link(Main->path); map_path = gb_mapfile_name(path2); free(path2); }else{ map_path = gb_mapfile_name(Main->path); } merror = gb_is_valid_mapfile(map_path,&mheader, 0); if (merror>0) { if (gb_main_array[mheader.main_idx]==NULL) { GBCONTAINER *newGbd = (GBCONTAINER*)gb_map_mapfile(map_path); if (newGbd) { GBCONTAINER *father = GB_FATHER(gbd); GB_MAIN_IDX new_idx = mheader.main_idx, old_idx = father->main_idx; GB_commit_transaction((GBDATA*)gbd); ad_assert(newGbd->main_idx == new_idx); ad_assert((new_idx % GB_MAIN_ARRAY_SIZE) == new_idx); gb_main_array[new_idx] = Main; Main->data = newGbd; father->main_idx = new_idx; gbd = newGbd; SET_GB_FATHER(gbd,father); gb_main_array[old_idx] = NULL; GB_begin_transaction((GBDATA*)gbd); ok=1; } } else { GB_export_errorf("FastLoad-File index conflict (%s)", map_path); } } else { if (!merror) { GB_warning(GB_await_error()); } else { GB_informationf("ARB: no FastLoad File '%s' found: loading entire database",map_path); } } if (ok) return 0; } switch(version) { case 0: error = gb_read_bin_rek(in,gbd,nodecnt,version,reversed); break; case 2: for (i=1; i < Main->keycnt;i++) { if (Main->keys[i].key) { Main->keys[i].nref_last_saved = Main->keys[i].nref; } } if (Main->clock<=0) Main->clock++; case 1: error = gb_read_bin_rek_V2(in,gbd,nodecnt,version,reversed,0); break; default: GB_internal_errorf("Sorry: This ARB Version does not support database format V%li",version); error = 1; } if (gb_local->search_system_folder){ gb_search_system_folder((GBDATA *)gbd); } switch(version) { case 2: case 1: for (i=1; i < Main->keycnt;i++) { if (Main->keys[i].key) { Main->keys[i].nref = Main->keys[i].nref_last_saved; } } break; default: break; } return error; } /******************************************************************************************** OPEN DATABASE ********************************************************************************************/ long gb_next_main_idx_for_mapfile; void GB_set_next_main_idx(long idx){ gb_next_main_idx_for_mapfile = idx; } GB_MAIN_IDX gb_make_main_idx(GB_MAIN_TYPE *Main) { static int initialized = 0; GB_MAIN_IDX idx; if (!initialized) { for (idx=0; idxdata; GB_ERROR error = NULL; gb_main->local_mode = GB_FALSE; gb_main->c_link = gbcmc_open(path); if (!gb_main->c_link) { error = GBS_global_string("There is no ARBDB server '%s', please start one or add a filename", path); } else { gbd->server_id = 0; gb_main->remote_hash = GBS_create_hashi(GB_REMOTE_HASH_SIZE); error = gb_init_transaction(gbd); /* login in server */ if (!error) { gbd->flags2.folded_container = 1; if ( strchr(opent, 't') ) error = gb_unfold(gbd, 0,-2); /* tiny */ else if (strchr(opent, 'm') ) error = gb_unfold(gbd, 1,-2); /* medium (no sequence)*/ else if (strchr(opent, 'b') ) error = gb_unfold(gbd, 2,-2); /* big (no tree)*/ else if (strchr(opent, 'h') ) error = gb_unfold(gbd,-1,-2); /* huge (all)*/ else error = gb_unfold(gbd, 0,-2); /* tiny */ } } return error; } GBDATA *GB_login(const char *cpath,const char *opent,const char *user) /* opent char : 'r' read 'w' write (w/o 'r' it overwrites existing database) 'c' create (if not found) 's' read only ??? 'd' look for default (if create) in $ARBHOME/lib (any leading '.' is removed ) 'D' look for default (if create) in $ARBHOME/lib/arb_default (any leading '.' is removed ) 't' small memory usage 'm' medium 'b' big 'h' huge 'R' allow corrupt file recovery + opening quicks with no master 'N' assume new database format (do not check whether to convert old->new compression) */ { GBCONTAINER *gbd; FILE *input; long i; struct gb_main_type *Main; enum gb_open_types opentype; GB_CSTR quickFile = NULL; int ignoreMissingMaster = 0; int loadedQuickIndex = -1; GB_ERROR error = 0; char *path = strdup(cpath); GB_BOOL dbCreated = GB_FALSE; GBK_install_SIGSEGV_handler(GB_TRUE); if (!opent) opentype = gb_open_all; else if (strchr(opent, 'w')) opentype = gb_open_all; else if (strchr(opent, 's')) opentype = gb_open_read_only_all; else opentype = gb_open_read_only_all; if (strchr(path,':')){ ; /* remote access */ }else if (GBS_string_matches(path,"*.quick?",GB_MIND_CASE)){ char *ext = gb_findExtension(path); ad_assert(ext!=0); if (isdigit(ext[6])) { loadedQuickIndex = atoi(ext+6); strcpy(ext, ".arb"); quickFile = gb_oldQuicksaveName(path, loadedQuickIndex); if (strchr(opent,'R')) ignoreMissingMaster = 1; } }else if (GBS_string_matches(path,"*.a??",GB_MIND_CASE)){ char *extension = gb_findExtension(path); if (isdigit(extension[2]) && isdigit(extension[3])) { loadedQuickIndex = atoi(extension+2); strcpy(extension,".arb"); quickFile = gb_quicksaveName(path, loadedQuickIndex); if (strchr(opent,'R')) ignoreMissingMaster = 1; }else { char *base = strdup(path); char *ext = gb_findExtension(base); { struct gb_scandir dir; ext[0] = 0; gb_scan_directory(base,&dir); loadedQuickIndex = dir.highest_quick_index; if (dir.highest_quick_index!=dir.newest_quick_index) { GB_warning("The QuickSave-File with the highest index-number\n" "is not the NEWEST of your QuickSave-Files.\n" "If you didn't restore old QuickSave-File from a backup\n" "please inform your system-administrator - \n" "this may be a serious bug and you may loose your data."); } switch(dir.type) { case GB_SCAN_NO_QUICK: break; case GB_SCAN_NEW_QUICK: quickFile = gb_quicksaveName(path,dir.highest_quick_index); break; case GB_SCAN_OLD_QUICK: quickFile = gb_oldQuicksaveName(path,dir.newest_quick_index); break; } } free(base); } } if (gb_verbose_mode){ GB_informationf("ARB: Loading '%s'%s%s", path, quickFile ? " + Changes-File ":"", quickFile ? quickFile :""); } gbm_init_mem(); GB_init_gb(); error = GB_install_pid(1); if (error) { GB_export_error(error); return 0; } Main = gb_make_gb_main_type(path); Main->local_mode = GB_TRUE; if (strchr(opent,'R')) Main->allow_corrupt_file_recovery = 1; gb_create_key(Main,"main",GB_FALSE); Main->dummy_father = gb_make_container(NULL, 0, -1,0); /* create "main" */ Main->dummy_father->main_idx = gb_make_main_idx(Main); Main->dummy_father->server_id = GBTUM_MAGIC_NUMBER; gbd = gb_make_container(Main->dummy_father, 0, -1,0 ); /* create "main" */ Main->data = gbd; gbcm_login(gbd,user); Main->opentype = opentype; Main->security_level = 7; if (path && (strchr(opent, 'r')) ){ if (strchr(path, ':')){ error = gb_login_remote(Main,path,opent); } else { int read_from_stdin = strcmp(path, "-") == 0; GB_ULONG time_of_main_file = 0; GB_ULONG time_of_quick_file = 0; Main->local_mode = GB_TRUE; GB_begin_transaction((GBDATA *)gbd); Main->clock = 0; /* start clock */ if (read_from_stdin) input = stdin; else input = fopen(path, "rb"); if (!input && ignoreMissingMaster) { goto load_quick_save_file_only; } if (!input ) { if (strchr(opent, 'c') ) { GB_disable_quicksave((GBDATA *)gbd,"Database Created"); if (strchr(opent, 'd')||strchr(opent, 'D')) { /* use default settings */ const char *pre; char *found_path; GB_clear_error(); // with default-files gb_scan_directory (used above) // creates an error, cause the path is a fake path if (strchr(opent, 'd')) pre = ""; else pre = "arb_default/"; found_path = GBS_find_lib_file(path,pre, 0); if (!found_path) { fprintf(stderr,"file %s not found\n", path); dbCreated = GB_TRUE; } else { #if defined(DEBUG) fprintf(stderr, "Using properties from %s\n", found_path); #endif /* DEBUG */ freeset(path, found_path); input = fopen(path, "rb"); } } else { dbCreated = GB_TRUE; } if (dbCreated) printf(" database %s created\n", path); } else { error = GBS_global_string("Database '%s' not found",path); gbd = 0; } } if (input) { time_of_main_file = GB_time_of_file(path); if (input != stdin) i = gb_read_in_long(input, 0); else i = 0; if ((i== 0x56430176) || (i == GBTUM_MAGIC_NUMBER) || (i == GBTUM_MAGIC_REVERSED)) { i = gb_read_bin(input, gbd,0); /* read or map whole db */ gbd = Main->data; fclose(input); if (i) { if (Main->allow_corrupt_file_recovery) { GB_print_error(); } else { gbd = 0; error = GB_await_error(); } } if (gbd && quickFile) { long err; GB_ERROR err_msg; load_quick_save_file_only: err = 0; err_msg = 0; input = fopen(quickFile,"rb"); if (input){ time_of_quick_file = GB_time_of_file(quickFile); if (time_of_main_file && time_of_quick_file < time_of_main_file){ const char *warning = GBS_global_string("Your main database file '%s' is newer than\n" " the changes file '%s'\n" " That is very strange and happens only if files where\n" " moved/copied by hand\n" " Your file '%s' may be an old relict,\n" " if you ran into problems now,delete it", path, quickFile, quickFile); GB_warning(warning); } i = gb_read_in_long(input, 0); if ((i== 0x56430176) || (i == GBTUM_MAGIC_NUMBER) || (i == GBTUM_MAGIC_REVERSED)) { err = gb_read_bin(input, gbd, 1); fclose (input); if (err) { err_msg = GBS_global_string("Loading failed (file corrupt?)\n" "[Fail-Reason: '%s']\n", GB_await_error()); } } else { err_msg = "Wrong file format (not a quicksave file)"; err = 1; } } else { err_msg = "Can't open file"; err = 1; } if (err){ error = GBS_global_string("I cannot load your quick file '%s'\n" "Reason: %s\n" "\n" "Note: you MAY restore an older version by running arb with:\n" " arb ", quickFile, err_msg); if (!Main->allow_corrupt_file_recovery) { gbd = 0; } else { GB_export_error(error); GB_print_error(); GB_clear_error(); error = 0; GB_disable_quicksave((GBDATA*)gbd, "Couldn't load last quicksave (your latest changes are NOT included)"); } } } Main->qs.last_index = loadedQuickIndex; /* determines which # will be saved next */ } else { if (input != stdin) fclose(input); error = gb_read_ascii(path, gbd); if (error) GB_warning(error); GB_disable_quicksave((GBDATA *)gbd,"Sorry, I cannot save differences to ascii files\n" " Save whole database in binary mode first"); } } } } else { GB_disable_quicksave((GBDATA *)gbd,"Database not part of this process"); Main->local_mode = GB_TRUE; GB_begin_transaction((GBDATA *)gbd); } gb_assert(error || gbd); if (error) { GB_export_error(error); gbd = 0; } else { GB_commit_transaction((GBDATA *)gbd); { /* New Transaction, should be quicksaveable */ GB_begin_transaction((GBDATA *)gbd); if (!strchr(opent,'N')){ /* new format */ gb_convert_V2_to_V3((GBDATA *)gbd); /* Compression conversion */ } error = gb_load_key_data_and_dictionaries((GBDATA *)Main->data); if (!error) error = GB_resort_system_folder_to_top((GBDATA *)Main->data); GB_commit_transaction((GBDATA *)gbd); } Main->security_level = 0; gbl_install_standard_commands((GBDATA *)gbd); if (Main->local_mode == GB_TRUE) { // i am the server GBT_install_message_handler((GBDATA *)gbd); } if (gb_verbose_mode && !dbCreated) GB_informationf("ARB: Loading '%s' done\n", path); } free(path); return (GBDATA *)gbd; } GBDATA *GB_open(const char *path, const char *opent) { const char *user; user = GB_getenvUSER(); return GB_login(path,opent,user); } int gb_verbose_mode = 0; void GB_set_verbose(){ gb_verbose_mode = 1; } ./arbsrc_9167/ARBDB/adlocal.h0000644012664100000130000004455411440743000015526 0ustar arb_buildcoders#ifdef ARBDB_H #error Please do not include "arbdb.h" yourself when also including "adlocal.h" #endif #ifndef ADLOCAL_H #define ADLOCAL_H #ifndef _STDIO_H #include #endif #ifndef _STDINT_H #include #endif #ifndef ATTRIBUTES_H #include #endif #ifndef ARBDB_BASE_H #include #endif /* ================ Test memory @@@===================== */ #if defined(DEBUG) #define MEMORY_TEST 1 #else #define MEMORY_TEST 0 #endif #ifdef __cplusplus inline void ad_use(int, ...) {} #else void ad_use(int dummy, ...); #endif #define ADUSE(variable) ad_use(1, variable) #if (MEMORY_TEST==1) #define gbm_put_memblk(block,size) #define gbm_get_memblk(size) (char*)(GB_calloc(1,size)) #define gbm_get_mem(size,index) (char*)(GB_calloc(1,size)) #define gbm_free_mem(block,size,index) do { free(block); ADUSE(index); } while(0) #define fread(block,size,nelem,stream) (memset(block,0,size*nelem), (fread)(block,size,nelem,stream)) #endif /* ================ Assert's ======================== */ #ifndef ARB_ASSERT_H #include #endif #define ad_assert(bed) arb_assert(bed) /* ================================================== */ #define GBTUM_MAGIC_NUMBER 0x17488400 #define GBTUM_MAGIC_NUMBER_FILTER 0xffffff00 #define GBTUM_MAGIC_REVERSED 0x00844817 #define GB_MAX_PROJECTS 256 #define GBTUM_COMPRESS_TREE_SIZE 32 #define GB_MAX_USERS 4 #define GB_MAX_KEYS 0x1000000 /* 24 bit see flags also */ #define CROSS_BUFFER_DIFF 20 #define SIZOFINTERN 10 #define GB_SYSTEM_FOLDER "__SYSTEM__" #define GB_SYSTEM_KEY_DATA "@key_data" #define GB_MAX_MAPPED_FILES 10 /********** RELATIVE ADRESSING *************/ #if (MEMORY_TEST==1) typedef void *GB_REL_ADD; typedef char *GB_REL_STRING; typedef struct gb_data_base_type *GB_REL_GBDATA; typedef struct gb_data_base_type2 *GB_REL_CONTAINER; typedef struct gb_header_list_struct *GB_REL_HLS; typedef struct gb_if_entries *GB_REL_IFES; typedef struct gb_index_files_struct *GB_REL_IFS; typedef struct gb_if_entries **GB_REL_PIFES; #else typedef long GB_REL_ADD; /* relative adress */ typedef long GB_REL_STRING; /* relative adress */ typedef long GB_REL_GBDATA; /* relative adress */ typedef long GB_REL_CONTAINER; /* relative adress */ typedef long GB_REL_HLS; /* relative adress */ typedef long GB_REL_IFES; /* relative adress */ typedef long GB_REL_IFS; /* relative adress */ typedef long GB_REL_PIFES; /* relative adress */ #endif typedef short GB_MAIN_IDX; /* random-index */ typedef struct gbs_hash_struct GB_HASH; typedef struct gbs_hashi_struct GB_HASHI; struct GBS_regex; struct GBS_string_matcher; typedef struct GBS_regex GBS_REGEX; typedef struct GBS_string_matcher GBS_MATCHER; #define GB_MAIN_ARRAY_SIZE 4096 struct GBS_strstruct; /********************************************/ enum { GBM_CB_INDEX = -1, GBM_HASH_INDEX = -2, GBM_HEADER_INDEX = -3, GBM_UNDO = -4, GBM_DICT_INDEX = -5, GBM_USER_INDEX = -6 }; typedef long gb_bool; struct gb_map_header; #define _GB_UNDO_TYPE_DEFINED typedef enum { /* Warning: Same typedef in arbdb.h */ GB_UNDO_NONE, GB_UNDO_KILL, /* no undo and delete all old undos */ GB_UNDO_UNDO, GB_UNDO_REDO, GB_UNDO_UNDO_REDO } GB_UNDO_TYPE; typedef enum gb_changed_types { gb_not_changed = 0, gb_son_changed = 2, gb_changed = 4, gb_created = 5, gb_deleted = 6, gb_deleted_in_master = 7 } GB_CHANGED; enum gb_open_types { gb_open_all = 0, gb_open_read_only_all = 16, gb_open_read_only_small = 17 }; #ifdef __cplusplus extern "C" { #endif typedef void (*GB_CB)(GBDATA *,int *clientdata, GB_CB_TYPE gbtype); #ifdef __cplusplus } #endif typedef int GBQUARK; /********************* compress ******************/ enum GB_COMPRESSION_TYPES { GB_COMPRESSION_NONE = 0, GB_COMPRESSION_RUNLENGTH = 1, GB_COMPRESSION_HUFFMANN = 2, GB_COMPRESSION_DICTIONARY = 4, GB_COMPRESSION_SEQUENCE = 8, GB_COMPRESSION_SORTBYTES = 16, GB_COMPRESSION_BITS = 32, GB_COMPRESSION_LAST = 128 }; typedef int GB_NINT; /* Network byte order int */ typedef struct { int words; int textlen; unsigned char *text; GB_NINT *offsets; /* in network byte order */ GB_NINT *resort; /* in network byte order */ } GB_DICTIONARY; extern int gb_convert_type_2_compression_flags[]; extern int gb_convert_type_2_sizeof[]; extern int gb_convert_type_2_appendix_size[]; extern int gb_verbose_mode; #define GB_UNCOMPRESSED_SIZE(gbd, type) (GB_GETSIZE(gbd) * gb_convert_type_2_sizeof[type] + gb_convert_type_2_appendix_size[type]) struct gb_compress_tree { char leave; struct gb_compress_tree *son[2]; }; enum gb_compress_list_commands { gb_cs_ok = 0, gb_cs_sub = 1, gb_cs_id = 2, gb_cs_end = 3, gb_cd_node = 4 }; struct gb_compress_list { enum gb_compress_list_commands command; int value; int bitcnt; int bits; int mask; long count; struct gb_compress_list *son[2]; }; /********************* main ******************/ struct gb_user_struct { char *username; int userid; int userbit; int nusers; /* number of clients of this user */ }; struct gb_project_struct { char *projectname; int projectid; struct gb_export_project { struct gb_export_project *next; char *username; } *export_; long export_2_users; /* bits , one bit for each logged in user */ }; struct gb_data_base_type; struct gb_key_struct { char *key; long nref; long next_free_key; long nref_last_saved; struct gb_data_base_type *gb_key; /* for fast access and dynamic loading */ struct gb_data_base_type *gb_master_ali; /* Pointer to the master container */ int gb_key_disabled; /* There will never be a gb_key */ int compression_mask; /* maximum compression for this type */ GB_DICTIONARY *dictionary; /* optional dictionary */ }; struct gb_quick_save_struct { char *quick_save_disabled; /* GB_BOOL if set, than text decsribes reason*/ int last_index; }; struct gb_cache_entry_struct { struct gb_data_base_type *gbd; long prev; long next; char *data; long clock; int sizeof_data; }; struct gb_cache_struct { struct gb_cache_entry_struct *entries; long firstfree_entry; long newest_entry; long oldest_entry; long sum_data_size; long max_data_size; long max_entries; }; // ----------------------------------------------- // root structure (one for each database) struct gbcmc_comm; struct g_b_undo_mgr_struct; struct gb_callback_list; struct gb_data_base_type2; struct gb_close_callback_struct; typedef struct gb_main_type { int transaction; int aborted_transaction; int local_mode; // GB_TRUE = server, GB_FALSE = client int client_transaction_socket; struct gbcmc_comm *c_link; void *server_data; struct gb_data_base_type2 *dummy_father; struct gb_data_base_type2 *data; struct gb_data_base_type *gb_key_data; char *path; enum gb_open_types opentype; char *disabled_path; int allow_corrupt_file_recovery; struct gb_quick_save_struct qs; struct gb_cache_struct cache; int compression_mask; int keycnt; /* first non used key */ long sizeofkeys; /* malloc size */ long first_free_key; /* index of first gap */ struct gb_key_struct *keys; GB_HASH *key_2_index_hash; long key_clock; /* trans. nr. of last change */ char *keys_new[256]; unsigned int last_updated; long last_saved_time; long last_saved_transaction; long last_main_saved_transaction; GB_UNDO_TYPE requested_undo_type; GB_UNDO_TYPE undo_type; struct g_b_undo_mgr_struct *undo; char *dates[256]; unsigned int security_level; int old_security_level; int pushed_security_level; long clock; GB_HASHI *remote_hash; GB_HASH *command_hash; GB_HASH *resolve_link_hash; GB_HASH *table_hash; struct gb_close_callback_struct *close_callbacks; struct gb_callback_list *cbl; /* contains change-callbacks (after change, until callbacks are done) */ struct gb_callback_list *cbl_last; struct gb_callback_list *cbld; /* contains delete-callbacks (after delete, until callbacks are done) */ struct gb_callback_list *cbld_last; struct gb_user_struct *users[GB_MAX_USERS]; /* user 0 is server */ struct gb_project_struct *projects[GB_MAX_PROJECTS]; /* projects */ struct gb_user_struct *this_user; struct gb_project_struct *this_project; } GB_MAIN_TYPE; extern GB_MAIN_TYPE *gb_main_array[]; typedef enum { ARB_COMMIT, ARB_ABORT, ARB_TRANS } ARB_TRANS_TYPE; typedef enum { GB_IGNORE_CASE = 0 , GB_MIND_CASE = 1, GB_CASE_UNDEFINED = 2 } GB_CASE; // ------------------------------------------------------------------ // global data structure that is used for all open databases struct gb_buffer { char *mem; size_t size; }; struct gb_local_data { struct gb_buffer buf1, buf2; char *write_buffer; char *write_ptr; long write_bufsize; long write_free; int iamclient; int search_system_folder; struct gb_compress_tree *bituncompress; struct gb_compress_list *bitcompress; long bc_size; long gb_compress_keys_count; long gb_compress_keys_level; struct gb_main_type *gb_compress_keys_main; ARB_TRANS_TYPE running_client_transaction; struct { struct gb_data_base_type *gb_main; } gbl; }; extern struct gb_local_data *gb_local; extern const uint32_t crctab[]; struct gb_header_flags { unsigned int flags:GB_MAX_USERS; /* public */ unsigned int key_quark:24; /* == 0 -> invalid */ unsigned int changed:3; unsigned int ever_changed:1; /* is this element ever changed */ } ; struct gb_header_list_struct { /* public fast flags */ struct gb_header_flags flags; GB_REL_GBDATA rel_hl_gbd; /* Typ: (struct gb_data_base_type *) */ /* pointer to data if 0 & !key_index -> free data if 0 & key_index -> data only in server */ }; struct gb_data_list { GB_REL_HLS rel_header; /* Typ: (struct gb_header_list_struct *) */ int headermemsize; int size; /* number of valid items */ int nheader; /* size + deleted items */ }; struct gb_flag_types { /* public flags, abort possible */ unsigned int type:4; unsigned int security_delete:3; unsigned int security_write:3; unsigned int security_read:3; unsigned int compressed_data:1; unsigned int unused:1; /* last bit saved */ unsigned int user_flags:8; unsigned int temporary:1; /* ==1 -> dont save entry */ unsigned int saved_flags:8; }; struct gb_flag_types2 { /* private flags, abortable */ /* uncritic section undoable */ unsigned int last_updated:8; unsigned int usr_ref:7; /* for user access */ /* critic section, do not update any below */ unsigned int folded_container:1; unsigned int update_in_server:1; /* already informed */ unsigned int extern_data:1; /* data ref. by pntr*/ unsigned int header_changed:1; /* used by container*/ unsigned int gbm_index:8; /* memory section*/ unsigned int tisa_index:1; /* this should be indexed */ unsigned int is_indexed:1; /* this db. field is indexed*/ }; struct gb_flag_types3 { /* user and project flags (public) not abortable !!! */ unsigned int project:8; unsigned int unused:24; }; struct gb_if_entries { GB_REL_IFES rel_ie_next; /* Typ: (struct gb_if_entries *) */ GB_REL_GBDATA rel_ie_gbd; /* Typ: (struct gb_data_base_type *) */ }; /** hash index to speed up GB_find(x,x,down_2_level) ***/ struct gb_index_files_struct { GB_REL_IFS rel_if_next; /* Typ: (struct gb_index_files_struct *) */ GBQUARK key; long hash_table_size; long nr_of_elements; GB_CASE case_sens; GB_REL_PIFES rel_entries; /* Typ: (struct gb_if_entries **) */ }; struct gb_db_extended; typedef struct gb_data_base_type2 { /* public area */ long server_id; GB_REL_CONTAINER rel_father; /* Typ: (struct gb_data_base_type2 *) */ struct gb_db_extended *ext; long index; struct gb_flag_types flags; struct gb_flag_types2 flags2; /* privat area */ struct gb_flag_types3 flags3; struct gb_data_list d; long index_of_touched_one_son; /* index of modified son in case of a single mod. son -1 more than one (or one with ind = 0) 0 no son >0 index */ long header_update_date; GB_MAIN_IDX main_idx; /* Typ: (GB_MAIN_TYPE *) */ GB_REL_IFS rel_ifs; /* Typ: (struct gb_index_files_struct *) */ } GBCONTAINER; struct gb_extern_data2 { char *data; /* Typ: (char *) */ long memsize; long size; }; struct GB_INTern_strings2 { char data[SIZOFINTERN]; unsigned char memsize; unsigned char size; }; struct GB_INTern2 { char data[SIZOFINTERN]; }; union gb_data_base_type_union2 { struct GB_INTern_strings2 istr; struct GB_INTern2 in; struct gb_extern_data2 ex; }; struct gb_transaction_save { struct gb_flag_types flags; struct gb_flag_types2 flags2; union gb_data_base_type_union2 info; short refcount; /* number of references to this object */ }; struct gb_callback { struct gb_callback *next; GB_CB func; enum gb_call_back_type type; int *clientdata; short priority; short running; }; struct gb_callback_list { struct gb_callback_list *next; GB_CB func; struct gb_transaction_save *old; GB_CB_TYPE type; struct gb_data_base_type *gbd; int *clientdata; }; /*#undef GBDATA*/ enum gb_undo_commands { _GBCMC_UNDOCOM_REQUEST_NOUNDO_KILL, _GBCMC_UNDOCOM_REQUEST_NOUNDO, _GBCMC_UNDOCOM_REQUEST_UNDO, _GBCMC_UNDOCOM_INFO_UNDO, _GBCMC_UNDOCOM_INFO_REDO, _GBCMC_UNDOCOM_UNDO, _GBCMC_UNDOCOM_REDO, _GBCMC_UNDOCOM_SET_MEM = 10000 /* Minimum */ }; enum gb_scan_quicks_types { GB_SCAN_NO_QUICK, GB_SCAN_NEW_QUICK, GB_SCAN_OLD_QUICK }; struct gb_scandir { int highest_quick_index; int newest_quick_index; unsigned long date_of_quick_file; enum gb_scan_quicks_types type; /* xxx.arb.quick? or xxx.a?? */ }; #define GBCM_SERVER_OK_WAIT 3 #define GBCM_SERVER_ABORTED 2 #define GBCM_SERVER_FAULT 1 #define GBCM_SERVER_OK 0 #ifndef ARBDB_H # include "arbdb.h" #endif #include "adtune.h" #include "adlmacros.h" /* command interpreter */ #define GBL_MAX_ARGUMENTS 500 typedef struct gbl_struct { char *str; } GBL; typedef struct gbl_command_arguments_struct { GBDATA *gb_ref; /* a database entry on which the command is applied (may be species, gene, experiment, group and maybe more) */ const char *default_tree_name; /* if we have a default tree, its name is specified here (0 otherwise) */ const char *command; /* the name of the current command */ int cinput; const GBL *vinput; /* input streams */ int cparam; const GBL *vparam; /* parameter "streams" */ int *coutput; GBL **voutput; /* the output streams */ } GBL_command_arguments; #ifdef __cplusplus extern "C" { #endif typedef GB_ERROR (*GBL_COMMAND)(GBL_command_arguments *args); /* typedef GB_ERROR (*GBL_COMMAND)(GBDATA *gb_ref, char *com, GBL_client_data *cd, int argcinput, GBL *argvinput, int argcparam,GBL *argvparam, int *argcout, GBL **argvout); */ #ifdef __cplusplus } #endif struct GBL_command_table { const char *command_identifier; GBL_COMMAND function; }; // ------------------------------- // hash index calculation // ------------------------------- #define GB_CALC_HASH_INDEX_CASE_SENSITIVE(string,index,size) do { \ const char *local_ptr = (string); \ int local_i; \ (index) = 0xffffffffL; \ while ((local_i=(*(local_ptr++)))) { \ (index) = crctab[((int)(index)^local_i) & 0xff] ^ ((index) >> 8); \ } \ (index) = (index) % (size); \ } while(0) #define GB_CALC_HASH_INDEX_CASE_IGNORED(string,index,size) do { \ const char *local_ptr = (string); \ int local_i; \ (index) = 0xffffffffL; \ while ( (local_i = *(local_ptr++))){ \ (index) = crctab[((int) (index) ^ toupper(local_i)) & 0xff] ^ ((index) >> 8); \ } \ (index) = (index) % (size); \ } while(0) #define GB_CALC_HASH_INDEX(string, index, size, caseSens) do { \ if ((caseSens) == GB_IGNORE_CASE) \ GB_CALC_HASH_INDEX_CASE_IGNORED(string, index, size); \ else \ GB_CALC_HASH_INDEX_CASE_SENSITIVE(string, index, size); \ } while(0) #endif ./arbsrc_9167/ARBDB/ad_lpro.h0000644012664100000130000003574311440743000015547 0ustar arb_buildcoders/* * Internal database interface. * * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef AD_LPRO_H #define AD_LPRO_H #ifndef P_ # error P_ is not defined #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* adlang1.c */ void gbl_install_standard_commands P_((GBDATA *gb_main)); /* adstring.c */ GB_ERROR gb_scan_directory P_((char *basename, struct gb_scandir *sd)) __ATTR__USERESULT; void gbs_uppercase P_((char *str)); void gbs_memcopy P_((char *dest, const char *source, long len)); char *gbs_malloc_copy P_((const char *source, long len)); char *gbs_add_path P_((char *path, char *name)); /* arbdb.c */ GB_ERROR gb_unfold P_((GBCONTAINER *gbd, long deep, int index_pos)); int gb_read_nr P_((GBDATA *gbd)); GB_ERROR gb_write_compressed_pntr P_((GBDATA *gbd, const char *s, long memsize, long stored_size)); int gb_get_compression_mask P_((GB_MAIN_TYPE *Main, GBQUARK key, int gb_type)); GB_ERROR gb_security_error P_((GBDATA *gbd)); GB_CSTR gb_read_key_pntr P_((GBDATA *gbd)); GBQUARK gb_key_2_quark P_((GB_MAIN_TYPE *Main, const char *s)); GBDATA *gb_create P_((GBDATA *father, const char *key, GB_TYPES type)); GBDATA *gb_create_container P_((GBDATA *father, const char *key)); void gb_rename P_((GBCONTAINER *gbc, const char *new_key)); GB_ERROR gb_delete_force P_((GBDATA *source)); GB_ERROR gb_set_compression P_((GBDATA *source)); GB_ERROR gb_init_transaction P_((GBCONTAINER *gbd)); GB_ERROR gb_add_changed_callback_list P_((GBDATA *gbd, struct gb_transaction_save *old, GB_CB_TYPE gbtype, GB_CB func, int *clientdata)); GB_ERROR gb_add_delete_callback_list P_((GBDATA *gbd, struct gb_transaction_save *old, GB_CB func, int *clientdata)); GB_ERROR gb_do_callback_list P_((GB_MAIN_TYPE *Main)); GB_MAIN_TYPE *gb_get_main_during_cb P_((void)); GBDATA *GB_get_gb_main_during_cb P_((void)); GB_CSTR gb_read_pntr_ts P_((GBDATA *gbd, struct gb_transaction_save *ts)); int gb_info P_((GBDATA *gbd, int deep)); /* ad_core.c */ void gb_touch_entry P_((GBDATA *gbd, GB_CHANGED val)); void gb_touch_header P_((GBCONTAINER *gbc)); void gb_untouch_children P_((GBCONTAINER *gbc)); void gb_untouch_me P_((GBDATA *gbc)); void gb_set_update_in_server_flags P_((GBCONTAINER *gbc)); void gb_create_header_array P_((GBCONTAINER *gbc, int size)); void gb_link_entry P_((GBCONTAINER *father, GBDATA *gbd, long index_pos)); void gb_unlink_entry P_((GBDATA *gbd)); void gb_create_extended P_((GBDATA *gbd)); struct gb_main_type *gb_make_gb_main_type P_((const char *path)); char *gb_destroy_main P_((struct gb_main_type *Main)); GBDATA *gb_make_pre_defined_entry P_((GBCONTAINER *father, GBDATA *gbd, long index_pos, GBQUARK keyq)); void gb_rename_entry P_((GBCONTAINER *gbc, const char *new_key)); GBDATA *gb_make_entry P_((GBCONTAINER *father, const char *key, long index_pos, GBQUARK keyq, GB_TYPES type)); GBCONTAINER *gb_make_pre_defined_container P_((GBCONTAINER *father, GBCONTAINER *gbd, long index_pos, GBQUARK keyq)); GBCONTAINER *gb_make_container P_((GBCONTAINER *father, const char *key, long index_pos, GBQUARK keyq)); void gb_pre_delete_entry P_((GBDATA *gbd)); void gb_delete_entry P_((GBDATA **gbd_ptr)); void gb_delete_main_entry P_((GBDATA **gbd_ptr)); struct gb_transaction_save *gb_new_gb_transaction_save P_((GBDATA *gbd)); void gb_add_ref_gb_transaction_save P_((struct gb_transaction_save *ts)); void gb_del_ref_gb_transaction_save P_((struct gb_transaction_save *ts)); void gb_del_ref_and_extern_gb_transaction_save P_((struct gb_transaction_save *ts)); void gb_abortdata P_((GBDATA *gbd)); void gb_save_extern_data_in_ts P_((GBDATA *gbd)); void gb_write_index_key P_((GBCONTAINER *father, long index, GBQUARK new_index)); void gb_write_key P_((GBDATA *gbd, const char *s)); void gb_create_key_array P_((GB_MAIN_TYPE *Main, int index)); long gb_create_key P_((GB_MAIN_TYPE *Main, const char *s, GB_BOOL create_gb_key)); void gb_free_all_keys P_((GB_MAIN_TYPE *Main)); char *gb_abort_entry P_((GBDATA *gbd)); int gb_abort_transaction_local_rek P_((GBDATA *gbd, long mode)); GB_ERROR gb_commit_transaction_local_rek P_((GBDATA *gbd, long mode, int *pson_created)); /* adoptimize.c */ GB_ERROR gb_convert_V2_to_V3 P_((GBDATA *gb_main)); char *gb_uncompress_by_dictionary P_((GBDATA *gbd, GB_CSTR s_source, long size, long *new_size)); char *gb_compress_by_dictionary P_((GB_DICTIONARY *dict, GB_CSTR s_source, long size, long *msize, int last_flag, int search_backward, int search_forward)); GB_ERROR gb_create_dictionaries P_((GB_MAIN_TYPE *Main, long maxmem)); /* adsystem.c */ GB_ERROR gb_load_dictionary_data P_((GBDATA *gb_main, const char *key, char **dict_data, long *size)); GB_DICTIONARY *gb_create_dict P_((GBDATA *gb_dict)); void delete_gb_dictionary P_((GB_DICTIONARY *dict)); void gb_system_key_changed_cb P_((GBDATA *gbd, int *cl, GB_CB_TYPE type)); void gb_system_master_changed_cb P_((GBDATA *gbd, int *cl, GB_CB_TYPE type)); void gb_load_single_key_data P_((GBDATA *gb_main, GBQUARK q)); GB_ERROR gb_save_dictionary_data P_((GBDATA *gb_main, const char *key, const char *dict, int size)); GB_ERROR gb_load_key_data_and_dictionaries P_((GBDATA *gb_main)); /* adindex.c */ char *gb_index_check_in P_((GBDATA *gbd)); void gb_index_check_out P_((GBDATA *gbd)); GBDATA *gb_index_find P_((GBCONTAINER *gbf, struct gb_index_files_struct *ifs, GBQUARK quark, const char *val, GB_CASE case_sens, int after_index)); char *gb_set_undo_type P_((GBDATA *gb_main, GB_UNDO_TYPE type)); void gb_init_undo_stack P_((struct gb_main_type *Main)); void gb_free_undo_stack P_((struct gb_main_type *Main)); char *gb_set_undo_sync P_((GBDATA *gb_main)); char *gb_free_all_undos P_((GBDATA *gb_main)); char *gb_disable_undo P_((GBDATA *gb_main)); void gb_check_in_undo_create P_((GB_MAIN_TYPE *Main, GBDATA *gbd)); void gb_check_in_undo_modify P_((GB_MAIN_TYPE *Main, GBDATA *gbd)); void gb_check_in_undo_delete P_((GB_MAIN_TYPE *Main, GBDATA *gbd, int deep)); /* adperl.c */ GB_TYPES GBP_gb_types P_((char *type_name)); /* adsocket.c */ GB_ERROR gbcm_test_address P_((long *address, long key)); long gbcm_test_address_end P_((void)); void *gbcms_sigpipe P_((void)); void gbcm_read_flush P_((int socket)); long gbcm_read_buffered P_((int socket, char *ptr, long size)); long gbcm_read P_((int socket, char *ptr, long size)); int gbcm_write_flush P_((int socket)); int gbcm_write P_((int socket, const char *ptr, long size)); void *gbcm_sigio P_((void)); GB_ERROR gbcm_get_m_id P_((const char *path, char **m_name, long *id)); GB_ERROR gbcm_open_socket P_((const char *path, long delay2, long do_connect, int *psocket, char **unix_name)); long gbcms_close P_((struct gbcmc_comm *link)); struct gbcmc_comm *gbcmc_open P_((const char *path)); long gbcm_write_two P_((int socket, long a, long c)); long gbcm_read_two P_((int socket, long a, long *b, long *c)); long gbcm_write_string P_((int socket, const char *key)); char *gbcm_read_string P_((int socket)); long gbcm_write_long P_((int socket, long data)); long gbcm_read_long P_((int socket)); /* adcomm.c */ void *gbcms_sighup P_((void)); void gbcms_shift_delete_list P_((void *hsi, void *soi)); int gbcms_write_deleted P_((int socket, GBDATA *gbd, long hsin, long client_clock, long *buffer)); int gbcms_write_updated P_((int socket, GBDATA *gbd, long hsin, long client_clock, long *buffer)); int gbcms_write_keys P_((int socket, GBDATA *gbd)); int gbcms_talking_unfold P_((int socket, long *hsin, void *sin, GBDATA *gb_in)); int gbcms_talking_get_update P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_put_update P_((int socket, long *hsin, void *sin, GBDATA *gbd_dummy)); int gbcms_talking_updated P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_init_transaction P_((int socket, long *hsin, void *sin, GBDATA *gb_dummy)); int gbcms_talking_begin_transaction P_((int socket, long *hsin, void *sin, long client_clock)); int gbcms_talking_commit_transaction P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_abort_transaction P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_close P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_system P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_undo P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_find P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_key_alloc P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking_disable_wait_for_new_request P_((int socket, long *hsin, void *sin, GBDATA *gbd)); int gbcms_talking P_((int con, long *hs, void *sin)); GB_ERROR gbcm_write_bin P_((int socket, GBDATA *gbd, long *buffer, long mode, long deep, int send_headera)); long gbcm_read_bin P_((int socket, GBCONTAINER *gbd, long *buffer, long mode, GBDATA *gb_source, void *cs_main)); GB_ERROR gbcm_unfold_client P_((GBCONTAINER *gbd, long deep, long index_pos)); GB_ERROR gbcmc_begin_sendupdate P_((GBDATA *gbd)); GB_ERROR gbcmc_end_sendupdate P_((GBDATA *gbd)); GB_ERROR gbcmc_sendupdate_create P_((GBDATA *gbd)); GB_ERROR gbcmc_sendupdate_delete P_((GBDATA *gbd)); GB_ERROR gbcmc_sendupdate_update P_((GBDATA *gbd, int send_headera)); GB_ERROR gbcmc_read_keys P_((int socket, GBDATA *gbd)); GB_ERROR gbcmc_begin_transaction P_((GBDATA *gbd)); GB_ERROR gbcmc_init_transaction P_((GBCONTAINER *gbd)); GB_ERROR gbcmc_commit_transaction P_((GBDATA *gbd)); GB_ERROR gbcmc_abort_transaction P_((GBDATA *gbd)); GB_ERROR gbcms_add_to_delete_list P_((GBDATA *gbd)); GB_ERROR gbcmc_unfold_list P_((int socket, GBDATA *gbd)); long gbcmc_key_alloc P_((GBDATA *gbd, const char *key)); GB_ERROR gbcmc_send_undo_commands P_((GBDATA *gbd, enum gb_undo_commands command)); char *gbcmc_send_undo_info_commands P_((GBDATA *gbd, enum gb_undo_commands command)); GB_ERROR gbcm_login P_((GBCONTAINER *gb_main, const char *user)); long gbcmc_close P_((struct gbcmc_comm *link)); GB_ERROR gbcm_logout P_((GBCONTAINER *gb_main, char *user)); /* adhash.c */ long gbs_hashi_index P_((long key, long size)); void gb_init_cache P_((GB_MAIN_TYPE *Main)); char *gb_read_cache P_((GBDATA *gbd)); void *gb_free_cache P_((GB_MAIN_TYPE *Main, GBDATA *gbd)); char *gb_flush_cache P_((GBDATA *gbd)); char *gb_alloc_cache_index P_((GBDATA *gbd, long size)); /* adquery.c */ GBDATA *gb_find_by_nr P_((GBDATA *father, int index)); void gb_init_ctype_table P_((void)); GBDATA *gb_search P_((GBDATA *gbd, const char *str, GB_TYPES create, int internflag)); GBDATA *gb_search_marked P_((GBCONTAINER *gbc, GBQUARK key_quark, int firstindex)); void gb_install_command_table P_((GBDATA *gb_main, struct GBL_command_table *table)); char *gbs_search_second_x P_((const char *str)); char *gbs_search_second_bracket P_((const char *source)); char *gbs_search_next_seperator P_((const char *source, const char *seps)); /* ad_save_load.c */ char *gb_findExtension P_((char *path)); GB_CSTR gb_oldQuicksaveName P_((GB_CSTR path, int nr)); GB_CSTR gb_quicksaveName P_((GB_CSTR path, int nr)); GB_CSTR gb_mapfile_name P_((GB_CSTR path)); GB_CSTR gb_overwriteName P_((GB_CSTR path)); GB_CSTR gb_reffile_name P_((GB_CSTR path)); GB_ERROR gb_delete_reference P_((const char *master)); GB_ERROR gb_create_reference P_((const char *master)); GB_ERROR gb_add_reference P_((char *master, char *changes)); GB_ERROR gb_remove_all_but_main P_((GB_MAIN_TYPE *Main, const char *path)); long gb_ascii_2_bin P_((const char *source, GBDATA *gbd)); GB_BUFFER gb_bin_2_ascii P_((GBDATA *gbd)); long gb_test_sub P_((GBDATA *gbd)); long gb_read_in_long P_((FILE *in, long reversed)); long gb_read_number P_((FILE *in)); void gb_put_number P_((long i, FILE *out)); long gb_read_bin_error P_((FILE *in, GBDATA *gbd, const char *text)); long gb_write_out_long P_((long data, FILE *out)); int gb_is_writeable P_((struct gb_header_list_struct *header, GBDATA *gbd, long version, long diff_save)); int gb_write_bin_sub_containers P_((FILE *out, GBCONTAINER *gbc, long version, long diff_save, int is_root)); long gb_write_bin_rek P_((FILE *out, GBDATA *gbd, long version, long diff_save, long index_of_master_file)); int gb_write_bin P_((FILE *out, GBDATA *gbd, long version)); char *gb_full_path P_((const char *path)); GB_ERROR gb_check_saveable P_((GBDATA *gbd, const char *path, const char *flags)); /* adcompr.c */ struct gb_compress_tree *gb_build_uncompress_tree P_((const unsigned char *data, long short_flag, char **end)); void gb_free_compress_tree P_((struct gb_compress_tree *tree)); struct gb_compress_list *gb_build_compress_list P_((const unsigned char *data, long short_flag, long *size)); char *gb_compress_bits P_((const char *source, long size, const unsigned char *c_0, long *msize)); GB_BUFFER gb_uncompress_bits P_((const char *source, long size, char c_0, char c_1)); void gb_compress_equal_bytes_2 P_((const char *source, long size, long *msize, char *dest)); GB_BUFFER gb_compress_equal_bytes P_((const char *source, long size, long *msize, int last_flag)); void gb_compress_huffmann_add_to_list P_((long val, struct gb_compress_list *element)); long gb_compress_huffmann_pop P_((long *val, struct gb_compress_list **element)); char *gb_compress_huffmann_rek P_((struct gb_compress_list *bc, int bits, int bitcnt, char *dest)); GB_BUFFER gb_compress_huffmann P_((GB_CBUFFER source, long size, long *msize, int last_flag)); GB_BUFFER gb_uncompress_bytes P_((GB_CBUFFER source, long size, long *new_size)); GB_BUFFER gb_uncompress_longs_old P_((GB_CBUFFER source, long size, long *new_size)); GB_BUFFER gb_compress_longs P_((GB_CBUFFER source, long size, int last_flag)); GB_DICTIONARY *gb_get_dictionary P_((GB_MAIN_TYPE *Main, GBQUARK key)); GB_BUFFER gb_compress_data P_((GBDATA *gbd, int key, GB_CBUFFER source, long size, long *msize, GB_COMPRESSION_MASK max_compr, GB_BOOL pre_compressed)); GB_CBUFFER gb_uncompress_data P_((GBDATA *gbd, GB_CBUFFER source, long size)); /* admalloc.c */ void gbm_init_mem P_((void)); void gbm_put_memblk P_((char *memblk, size_t size)); char *gbm_get_mem P_((size_t size, long index)); void gbm_free_mem P_((char *data, size_t size, long index)); void gbm_debug_mem P_((GB_MAIN_TYPE *Main)); /* ad_load.c */ GB_ERROR gb_read_ascii P_((const char *path, GBCONTAINER *gbd)); long gb_read_bin_rek P_((FILE *in, GBCONTAINER *gbd, long nitems, long version, long reversed)); long gb_recover_corrupt_file P_((GBCONTAINER *gbd, FILE *in, GB_ERROR recovery_reason)); long gb_read_bin_rek_V2 P_((FILE *in, GBCONTAINER *gbd, long nitems, long version, long reversed, long deep)); GBDATA *gb_search_system_folder_rek P_((GBDATA *gbd)); void gb_search_system_folder P_((GBDATA *gb_main)); long gb_read_bin P_((FILE *in, GBCONTAINER *gbd, int diff_file_allowed)); GB_MAIN_IDX gb_make_main_idx P_((GB_MAIN_TYPE *Main)); GB_ERROR gb_login_remote P_((struct gb_main_type *gb_main, const char *path, const char *opent)); /* admap.c */ int gb_save_mapfile P_((GB_MAIN_TYPE *Main, GB_CSTR path)); int gb_is_valid_mapfile P_((const char *path, struct gb_map_header *mheader, int verbose)); GBDATA *gb_map_mapfile P_((const char *path)); int gb_isMappedMemory P_((char *mem)); /* adTest.c */ void gb_testDB P_((GBDATA *gbd)); #ifdef __cplusplus } #endif #else #error ad_lpro.h included twice #endif /* AD_LPRO_H */ ./arbsrc_9167/ARBDB/adlundo.h0000644012664100000130000000263711440743000015551 0ustar arb_buildcodersenum g_b_undo_entry_type { GB_UNDO_ENTRY_TYPE_DELETED, GB_UNDO_ENTRY_TYPE_CREATED, GB_UNDO_ENTRY_TYPE_MODIFY, GB_UNDO_ENTRY_TYPE_MODIFY_ARRAY }; struct g_b_undo_gbd_struct { GBQUARK key; struct gb_data_base_type *gbd; }; struct g_b_undo_struct; struct g_b_undo_entry_struct { struct g_b_undo_struct *father; struct g_b_undo_entry_struct *next; short type; short flag; struct gb_data_base_type *source; int gbm_index; /* The original(changed element) or father */ long sizeof_this; union { struct gb_transaction_save *ts; struct g_b_undo_gbd_struct gs; } d; }; struct g_b_undo_header_struct; struct g_b_undo_struct { struct g_b_undo_header_struct *father; struct g_b_undo_entry_struct *entries; struct g_b_undo_struct *next; long time_of_day; /* the begin of the transaction */ long sizeof_this; /* the size of one undo */ }; struct g_b_undo_header_struct { struct g_b_undo_struct *stack; long sizeof_this; /* the size of all existing undos */ long nstack; /* number of available undos */ }; struct g_b_undo_mgr_struct { long max_size_of_all_undos; struct g_b_undo_struct *valid_u; struct g_b_undo_header_struct *u; /* undo */ struct g_b_undo_header_struct *r; /* redo */ }; ./arbsrc_9167/ARBDB/admalloc.c0000644012664100000130000004132111440743000015663 0ustar arb_buildcoders#include #include #include #ifndef DARWIN #include #endif #include #include #include "adlocal.h" /*#include "arbdb.h"*/ /* #define DUMP_MEMBLKS */ #ifndef NDEBUG /* #define TEST_MEMBLKS */ #endif int gbm_system_page_size = 4096; #define GBM_MALLOC_OVERHEAD 32 /* pointer for alloc */ #define GBM_MAGIC 0x74732876 #define GBM_TABLE_SIZE (gbm_system_page_size-GBM_MALLOC_OVERHEAD) /* 4k Tables */ #define GBM_ALIGNED 8 #define GBM_LD_ALIGNED 3 #define GBM_MAX_TABLES 16 /* n different sizes -> max = GBM_MAX_TABLES * GBM_ALIGNED */ #define GBM_MAX_SIZE (GBM_MAX_TABLES*GBM_ALIGNED) #define GBM_MAX_INDEX 256 /* mussed be 2expx */ struct gbm_data_struct { long magic; /* indicates free element */ struct gbm_data_struct *next; /* next free element */ }; struct gbm_table_struct { /* a block containing data */ struct gbm_table_struct *next; struct gbm_data_struct data[1]; }; struct gbm_struct { struct gbm_data_struct *gds; /* free data area */ size_t size; /* free size of current table */ size_t allsize; /* full size of all tables */ struct gbm_table_struct *first; /* link list of tables */ struct gbm_data_struct *tables[GBM_MAX_TABLES + 1]; /* free entries */ long tablecnt[GBM_MAX_TABLES + 1]; /* number of free entries */ long useditems[GBM_MAX_TABLES + 1]; /* number of used items (everything) */ size_t extern_data_size; /* not handled by this routine */ long extern_data_items; } gbm_global[GBM_MAX_INDEX]; struct gbm_struct2 { char *old_sbrk; } gbm_global2; #define GBB_INCR 11 /* memsize increment in percent between adjacent clusters */ #define GBB_CLUSTERS 64 /* # of different clusters */ #define GBB_ALIGN GBM_LD_ALIGNED /* align memsize of clusters (# of bits) */ #define GBB_MINSIZE GBM_MAX_SIZE /* minimal size of allocated big block */ #define GBB_MAX_TRIALS 4 /* maximal number of clusters to search for an unused block */ #define GBB_MAGIC 0x67823747 struct gbb_data; struct gbb_freedata /* part of gbb_data if it`s a free block */ { long magic; struct gbb_data *next; /* next unused memblock */ }; struct gbb_data { size_t size; /* real size of memblock (from `content` to end of block) */ long allocFromSystem; /* ==0 -> it`s a block imported by gbm_put_mem */ struct gbb_freedata content; /* startposition of block returned to user or chain info for free blocks */ }; #define GBB_HEADER_SIZE (sizeof(struct gbb_data)-sizeof(struct gbb_freedata)) static struct gbb_Cluster { size_t size; /* minimum size of memblocks in this cluster */ struct gbb_data *first; /* first free block */ } gbb_cluster[GBB_CLUSTERS+1]; /* @@@ */ NOT4PERL void *GB_calloc(unsigned int nelem, unsigned int elsize) { size_t size = nelem*elsize; void *mem = malloc(size); if (mem) { memset(mem,0,size); } else { fprintf(stderr,"Panic Error: insufficient memory: tried to get %i*%i bytes\n",nelem,elsize); } return mem; } char *GB_strdup(const char *p) { /* does strdup(), but working with NULL * (Note: use nulldup() instead!) */ return p ? strdup(p) : NULL; } char *GB_strduplen(const char *p, unsigned len) { /* fast replacement for strdup, if len is known */ if (p) { char *neu; ad_assert(strlen(p) == len); /* Note: Common reason for failure: a zero-char was manually printed by a GBS_global_string...-function */ neu = (char*)malloc(len+1); memcpy(neu, p, len+1); return neu; } return 0; } char *GB_strpartdup(const char *start, const char *end) { /* strdup of a part of a string (including 'start' and 'end') * 'end' may point behind end of string -> copy only till zero byte * if 'end'=('start'-1) -> return "" * if 'end'<('start'-1) -> return 0 * if 'end' == NULL -> copy whole string */ char *result; if (end) { int len = end-start+1; if (len >= 0) { const char *eos = memchr(start, 0, len); if (eos) len = eos-start; result = malloc(len+1); memcpy(result, start, len); result[len] = 0; } else { result = 0; } } else { /* end = 0 -> return copy of complete string */ result = nulldup(start); } return result; } char *GB_strndup(const char *start, int len) { return GB_strpartdup(start, start+len-1); } NOT4PERL void *GB_recalloc(void *ptr, unsigned int oelem, unsigned int nelem, unsigned int elsize) { size_t nsize = nelem*elsize; void *mem = malloc(nsize); if (mem) { size_t osize = oelem*elsize; if (nsize>=osize) { memmove(mem, ptr, osize); if (nsize>osize) { memset(((char*)mem)+osize, 0, nsize-osize); } } else { memmove(mem, ptr, nsize); } } else { fprintf(stderr,"Panic Error: insufficient memory: tried to get %i*%i bytes\n",nelem,elsize); } return mem; } void gbm_init_mem(void) { int i; static int flag = 0; if (flag) return; flag = 1; for (i=0;i>= GBB_ALIGN; nextSize ++; nextSize <<= GBB_ALIGN; gbb_cluster[i].size = nextSize; gbb_cluster[i].first = NULL; /*printf("cluster %i: size=%i\n", i, gbb_cluster[i].size);*/ } /* last cluster contains ALL bigger blocks */ gbb_cluster[GBB_CLUSTERS].size = INT_MAX; gbb_cluster[GBB_CLUSTERS].first = NULL; /* give some block to memory-management (testwise) */ #if (defined(DEBUG) && 0) { int i; for (i=200; i<3000; i+=1) { char *someMem = (char*)calloc(1,(size_t)i); if (someMem) gbm_put_memblk(someMem,i); } } #endif } void GB_memerr(void) { GB_internal_error("memory allocation error - maybe you're out of swap space?"); } #ifdef TEST_MEMBLKS #define TEST() testMemblocks(__FILE__,__LINE__) void testMemblocks(const char *file, int line) { int idx; for (idx=0; idxfirst; while (blk) { if (blk->sizesize) { fprintf(stderr, "Illegal block (size=%li) in cluster %i (size=%li) (%s,%i)\n", blk->size,idx,cl->size,file,line); ad_assert(0); } blk = blk->content.next; } } } #else # define TEST() #endif #if (MEMORY_TEST==0) static void imemerr(const char *why) { GB_internal_errorf("Dangerous internal error: '%s'\n" "Inconsistent database: Do not overwrite old files with this database", why); } static int getClusterIndex(size_t size) /* searches the index of the lowest cluster for that: size <= cluster->size */ { int l,m,h; if (sizesize = size-GBB_HEADER_SIZE; block->allocFromSystem = 0; idx = getClusterIndex(block->size)-1; ad_assert(idx>=0); block->content.next = gbb_cluster[idx].first; block->content.magic = GBB_MAGIC; gbb_cluster[idx].first = block; ad_assert(idx==GBB_CLUSTERS || block->size>=gbb_cluster[idx].size); TEST(); } static char *gbm_get_memblk(size_t size) { struct gbb_data *block = NULL; int trials = GBB_MAX_TRIALS, idx; TEST(); idx = getClusterIndex(size); ad_assert(gbb_cluster[idx].size>=size); while (trials--) /* search a cluster containing a block */ { if ((block = gbb_cluster[idx].first)!=NULL) break; /* found! */ if (idx==GBB_CLUSTERS) break; /* last cluster! */ idx++; } if (!block) /* if no unused block -> allocate from system */ { int allocationSize; allocFromSys: allocationSize = (idx==GBB_CLUSTERS ? (size_t)size : (size_t)(gbb_cluster[idx].size)) + GBB_HEADER_SIZE; block = (struct gbb_data *)GB_calloc(1, allocationSize); if (!block) { GB_memerr(); return NULL; } block->size = allocationSize-GBB_HEADER_SIZE; block->allocFromSystem = 1; ad_assert(block->size>=size); #ifdef DUMP_MEMBLKS printf("allocated %li bytes\n", size); #endif } else { struct gbb_data **blockPtr = &(gbb_cluster[idx].first); if (idx==GBB_CLUSTERS) /* last cluster (test for block size necessary) */ { while ((block=*blockPtr)!=NULL && block->sizecontent.next); if (!block) goto allocFromSys; ad_assert(block->size>=size); } if (block->content.magic!=GBB_MAGIC) { imemerr("bad magic number if free block"); return NULL; } *blockPtr = block->content.next; memset((char*)&(block->content),0,size); /* act like calloc() */ #ifdef DUMP_MEMBLKS printf("using unused block " "(add=%p,size=%li, block->size=%li,cluster->size=%li)\n", block, size, block->size,gbb_cluster[idx].size); #endif ad_assert(block->size>=size); } ad_assert(block->size>=size); TEST(); return (char*)&(block->content); } char *gbm_get_mem(size_t size, long index) { unsigned long nsize, pos; char *erg; struct gbm_data_struct *gds; struct gbm_struct *ggi; if (size < sizeof(struct gbm_data_struct)) size = sizeof(struct gbm_data_struct); index &= GBM_MAX_INDEX-1; ggi = & gbm_global[index]; nsize = (size + (GBM_ALIGNED - 1)) & (-GBM_ALIGNED); if (nsize > GBM_MAX_SIZE) { ggi->extern_data_size += nsize; ggi->extern_data_items++; erg = gbm_get_memblk((size_t)nsize); return erg; } pos = nsize >> GBM_LD_ALIGNED; if ( (gds = ggi->tables[pos]) ) { ggi->tablecnt[pos]--; erg = (char *)gds; if (gds->magic != GBM_MAGIC) { printf("%lX!= %lX\n",gds->magic,(long)GBM_MAGIC); GB_internal_error("Dangerous internal error: Inconsistent database: " "Do not overwrite old files with this database"); } ggi->tables[pos] = ggi->tables[pos]->next; } else { if (ggi->size < nsize) { struct gbm_table_struct *gts = (struct gbm_table_struct *)GB_MEMALIGN(gbm_system_page_size, GBM_TABLE_SIZE); if (!gts) { GB_memerr(); return NULL; } memset((char *)gts,0,GBM_TABLE_SIZE); ggi->gds = >s->data[0]; gts->next = ggi->first; /* link tables */ ggi->first = gts; ggi->size = GBM_TABLE_SIZE - sizeof(void *); ggi->allsize += GBM_TABLE_SIZE; } erg = (char *)ggi->gds; ggi->gds = (struct gbm_data_struct *)(((char *)ggi->gds) + nsize); ggi->size -= (size_t)nsize; } ggi->useditems[pos]++; memset(erg,0,nsize); return erg; } void gbm_free_mem(char *data, size_t size, long index) { long nsize, pos; struct gbm_struct *ggi; if (size < sizeof(struct gbm_data_struct)) size = sizeof(struct gbm_data_struct); index &= GBM_MAX_INDEX-1; ggi = & gbm_global[index]; nsize = (size + (GBM_ALIGNED - 1)) & (-GBM_ALIGNED); if (nsize > GBM_MAX_SIZE) { struct gbb_data *block; if (gb_isMappedMemory(data)) { block = (struct gbb_data *)data; block->size = size-GBB_HEADER_SIZE; block->allocFromSystem = 0; /* printf("put mapped Block (size=%li)\n", size); */ if (size>=(GBB_HEADER_SIZE+GBB_MINSIZE)) gbm_put_memblk((char*)block, size); } else { block = (struct gbb_data *)(data-GBB_HEADER_SIZE); ggi->extern_data_size -= (size_t)nsize; ggi->extern_data_items--; if (block->sizeallocFromSystem) { /* printf("free %li bytes\n", size); */ free((char *)block); } else { /* printf("put unused block (size=%li block->size=%li)\n", size,block->size); */ gbm_put_memblk((char*)block,block->size + GBB_HEADER_SIZE); } } } else { if (gb_isMappedMemory(data)) return; /* @@@ reason: size may be shorter */ if ( ((struct gbm_data_struct *)data)->magic == GBM_MAGIC) /* double free */ { imemerr("double free"); return; } pos = nsize >> GBM_LD_ALIGNED; ((struct gbm_data_struct *) data)->next = ggi->tables[pos]; ((struct gbm_data_struct *) data)->magic = GBM_MAGIC; ggi->tables[pos] = ((struct gbm_data_struct *) data); ggi->tablecnt[pos]++; ggi->useditems[pos]--; } } #endif /* MEMORY_TEST==0 */ void gbm_debug_mem(GB_MAIN_TYPE *Main) { int i; int index; long total = 0; long index_total; struct gbm_struct *ggi; printf("Memory Debug Information:\n"); for (index = 0; index < GBM_MAX_INDEX; index++) { index_total = 0; ggi = &gbm_global[index]; for (i = 0; i < GBM_MAX_TABLES; i++) { index_total += i * GBM_ALIGNED * (int) ggi->useditems[i]; total += i * GBM_ALIGNED * (int) ggi->useditems[i]; if (ggi->useditems[i] || ggi->tablecnt[i]) { { int j; for (j = index; j < Main->keycnt; j+=GBM_MAX_INDEX ) { if (Main->keys[j].key){ printf("%15s", Main->keys[j].key); }else{ printf("%15s", "*** unused ****"); } } } printf("\t'I=%3i' 'Size=%3i' * 'Items %4i' = 'size %7i' 'sum=%7li' 'totalsum=%7li' : Free %3i\n", index, i * GBM_ALIGNED, (int) ggi->useditems[i], i * GBM_ALIGNED * (int) ggi->useditems[i], index_total, total, (int) ggi->tablecnt[i]); } } if ( ggi->extern_data_size) { index_total += ggi->extern_data_size; total += ggi->extern_data_size; printf("\t\t'I=%3i' External Data Items=%3li = Sum=%3li 'sum=%7li' 'total=%7li\n", index, ggi->extern_data_items, (long)ggi->extern_data_size, index_total, total); } } { char *topofmem = (char *)sbrk(0); printf("spbrk %lx old %lx size %ti\n", (long)topofmem, (long)gbm_global2.old_sbrk, topofmem-gbm_global2.old_sbrk); } } ./arbsrc_9167/ARBDB/admap.c0000644012664100000130000005315711440743000015203 0ustar arb_buildcoders #include #include #include #include "adlocal.h" /*#include "arbdb.h"*/ #include "admap.h" #define ADMAP_BYTE_ORDER 0x01020304 #ifdef DIGITAL # define ALIGN_BITS 3 #else # define ALIGN_BITS 2 /* if ALIGN_BITS==3 we get problems when writing pointer-arrays */ #endif #define ALIGN(size) (((((size)-1)>>ALIGN_BITS)+1)<=1); if (idx2>num) return; /* no lson -> done */ if (cmp(heap[idx2],heap[idx])>0) /* lson is bigger than actual */ { if (idx21 <= num && /* rson exists */ cmp(heap[idx2],heap[idx21])<0) /* lson is smaller than rson */ { swap(heap[idx],heap[idx21]); downheap(heap,idx21,num); } else { swap(heap[idx],heap[idx2]); downheap(heap,idx2,num); } }else if (idx21 <= num && /* rson exists */ cmp(heap[idx],heap[idx21])<0) /* rson is bigger than actual */ { swap(heap[idx],heap[idx21]); downheap(heap,idx21,num); } } static void sort_gbdata_offsets(struct gbdata_offset *gbdo, int num) { int i; struct gbdata_offset *heap = gbdo-1; #if defined(DEBUG) int onum = num; #endif // DEBUG ad_assert(gbdo!=NULL); ad_assert(num>=1); for (i=num/2; i>=1; i--) downheap(heap,i,num); /* make heap */ while(num>1) /* sort heap */ { struct gbdata_offset big = heap[1]; heap[1] = heap[num]; downheap(heap,1,num-1); heap[num] = big; num--; } #ifdef DEBUG for (i=1; i=l); ad_assert(gbdo!=NULL); while (1){ long cmpres; m = (l+h)>>1; cmpres = (long)gbd - (long)gbdo[m].gbd; if (cmpres == 0){ /* equal m */ return &gbdo[m]; }else{ if (l==h) break; if (cmpres < 0) h = m; else l = m+1; } } printf("not found(1): gbd=%lx\n",(long)gbd); ad_assert(0); /* should never occur */ return 0; } static long getrel_GBDATA(long rel_to, GBDATA *gbd) /* * calcs offset of 'gbd' in mapfile _relative_ to offset 'rel_to' */ { /* printf("search %x\n", (long)gbd); */ if (gbd) { unsigned int quark = gbd->rel_father ? GB_KEY_QUARK(gbd) : 0; /* cause Main->data->father==NULL !! */ struct gbdata_offset *gbdo = gb_gbk[quark].gbdoff; int l=0, h=gb_gbk[quark].cnt-1, m; ad_assert(h>=l); ad_assert(gbdo!=NULL); while (1) { long cmpres; m = (l+h)>>1; cmpres = (long)gbd - (long)gbdo[m].gbd; if (cmpres == 0){ /* equal m */ return MAKEREL(rel_to,gbdo[m].offset); }else{ if (l==h) break; if (cmpres < 0) h = m; else l = m+1; } } printf("not found(2): gbd=%lx\n",(long)gbd); ad_assert(0); /* should never occur */ } return 0; } #undef cmp #undef swap /* ******************************************************** write - routines ******************************************************** */ static int writeError; void ftwrite_aligned(const void *ptr, size_t ali_siz, FILE *fil) { ad_assert(ali_siz == ALIGN(ali_siz)); if (!writeError && fwrite((const char *)ptr, 1, ali_siz, fil) != ali_siz) { writeError = 1; } } static char alignment_bytes[ALIGN(1)] = { 0 }; // zero-filled buffer with maximum alignment size /* ftwrite_unaligned does the same as ftwrite_aligned, but does not access uninitialized memory (that's better for valgrind) */ size_t ftwrite_unaligned(const void *ptr, size_t unali_siz, FILE *fil) { if (!writeError) { size_t ali_siz = ALIGN(unali_siz); size_t pad_bytes = ali_siz-unali_siz; if (fwrite((const char*)(ptr), 1, unali_siz, fil) == unali_siz) { if (pad_bytes == 0 || fwrite(alignment_bytes, 1, pad_bytes, fil) == pad_bytes) { return ali_siz; // success -> return size written } } } return 0; // failure } static long write_IE(struct gb_if_entries *ie, FILE *out, long *offset) /* parameters mean the same as in write_GBDATA */ { long ieoffset = ie ? *offset : 0; while (ie) { struct gb_if_entries copy; size_t copy_size; if (out) { copy.rel_ie_gbd = (GB_REL_GBDATA) getrel_GBDATA(*offset,GB_IF_ENTRIES_GBD(ie)); copy.rel_ie_next = (GB_REL_IFES)( ie->rel_ie_next ? ALIGN(sizeof(copy)) : 0); /* ftwrite(©,ALIGN(sizeof(copy)),out); */ copy_size = ftwrite_unaligned(©,sizeof(copy),out); } else { copy_size = ALIGN(sizeof(copy)); } *offset += copy_size; ie = GB_IF_ENTRIES_NEXT(ie); } return ieoffset; } static long write_IFS(struct gb_index_files_struct *ifs, FILE *out, long *offset) /* parameters mean the same as in write_GBDATA */ { long ifsoffset, nextoffset, entriesoffset; if (!ifs) return 0; nextoffset = write_IFS(GB_INDEX_FILES_NEXT(ifs), out, offset); /* entries */ { GB_REL_IFES *ie = GB_INDEX_FILES_ENTRIES(ifs); GB_REL_IFES *iecopy; size_t iesize = ALIGN((size_t)(ifs->hash_table_size)*sizeof(*ie)); int idx; ad_assert(ALIGN(sizeof(*ie))==sizeof(*ie)); iecopy = (GB_REL_IFES *)malloc(iesize); memcpy(iecopy,ie,iesize); /* write index entries an calc absolute offsets */ for (idx=0; idxhash_table_size; idx++) { iecopy[idx] = (GB_REL_IFES) write_IE(GB_ENTRIES_ENTRY(ie,idx),out,offset); } /* convert to relative offsets and write them */ entriesoffset = *offset; for (idx=0; idxhash_table_size; idx++) { iecopy[idx] = (GB_REL_IFES)MAKEREL(entriesoffset,(long)iecopy[idx]); } if (out) ftwrite_aligned(iecopy,iesize,out); *offset += iesize; free(iecopy); } /* ifs */ { struct gb_index_files_struct ifscopy = *ifs; size_t ifscopy_size; ifsoffset = *offset; ifscopy.rel_if_next = (GB_REL_IFS)MAKEREL(ifsoffset,nextoffset); ifscopy.rel_entries = (GB_REL_PIFES)MAKEREL(ifsoffset,entriesoffset); if (out) ifscopy_size = ftwrite_unaligned(&ifscopy, sizeof(ifscopy), out); else ifscopy_size = ALIGN(sizeof(ifscopy)); *offset += ifscopy_size; } return ifsoffset; } static void convertFlags4Save(struct gb_flag_types *flags, struct gb_flag_types2 * flags2, struct gb_flag_types3 *flags3) { GBUSE(flags3); flags->unused = 0; flags->user_flags = 0; ad_assert(flags->temporary==0); flags->saved_flags = 0; flags2->last_updated = 0; flags2->usr_ref = 0; flags2->folded_container = 0; flags2->update_in_server = 0; flags2->header_changed = 0; /* if (flags3) { } */ } static long write_GBDATA(GB_MAIN_TYPE *Main,GBDATA *gbd, int quark, FILE *out, long *offset,GB_MAIN_IDX main_idx) /* if out==NULL -> only calculate size changes 'offset' according to size of written data returns offset of GBDATA in mapfile */ { int type = GB_TYPE(gbd); long gbdoffset; GBUSE(Main); ad_assert(gbd->flags.temporary==0); if (type==GB_DB) /* CONTAINER */ { GBCONTAINER *gbc = (GBCONTAINER*)gbd, gbccopy = *gbc; long headeroffset, ifsoffset; /* header */ { struct gb_header_list_struct *header, *headercopy; long headermemsize = ALIGN(gbc->d.headermemsize*sizeof(*header)); int item, nitems = gbc->d.nheader; headeroffset = *offset; header = GB_DATA_LIST_HEADER(gbc->d); ad_assert(PTR_DIFF(&(header[1]),&(header[0]))==sizeof(*header)); /* @@@@ */ if (headermemsize){ /* if container is non-empty */ if (out){ int valid=0; /* no of non-temporary items */ headercopy = (struct gb_header_list_struct*) malloc(headermemsize); ad_assert(sizeof(*headercopy)==ALIGN(sizeof(*headercopy))); memset(headercopy,0x0,headermemsize); for (item=0; itemflags.temporary) continue; hs_offset = headeroffset + PTR_DIFF(&(headercopy[valid]), &(headercopy[0])); headercopy[valid].flags = header[item].flags; headercopy[valid].flags.flags &= 1; headercopy[valid].flags.changed = 0; headercopy[valid].flags.ever_changed = 0; headercopy[valid].rel_hl_gbd = (GB_REL_GBDATA)getrel_GBDATA(hs_offset, gbd2); /* printf("header[%i->%i].rel_hl_gbd = %li\n", item,valid, headercopy[valid].rel_hl_gbd); */ ad_assert(headercopy[valid].rel_hl_gbd != 0); valid++; } gbccopy.d.size = gbccopy.d.nheader = valid; gbccopy.d.headermemsize = valid; headermemsize = ALIGN(valid * sizeof(*header)); ftwrite_aligned(headercopy, headermemsize, out); free(headercopy); }else{ /* Calc new indizes and size of header */ int valid=0; /* no of non-temporary items */ for (item=0; itemflags.temporary) continue; dof = find_gbdata_offset(header[item].flags.key_quark, gbd2); dof->index = valid; valid++; } ad_assert((size_t)headermemsize >= valid * sizeof(*header)); headermemsize = ALIGN(valid * sizeof(*header)); } }else{ ad_assert(header==0); headeroffset=0; } *offset += headermemsize; } /* ifs */ ifsoffset = write_IFS(GBCONTAINER_IFS(gbc),out,offset); /* gbc */ gbdoffset = *offset; { size_t gbccopy_size; if (out) { struct gbdata_offset *dof = find_gbdata_offset(quark, (GBDATA *)gbc); gbccopy.index = dof->index; ad_assert(dof->index <= gbc->index); /* very simple check */ gbccopy.rel_father = (GB_REL_CONTAINER)getrel_GBDATA(gbdoffset,(GBDATA*)GB_FATHER(gbc)); gbccopy.ext = NULL; convertFlags4Save(&(gbccopy.flags),&(gbccopy.flags2),&(gbccopy.flags3)); gbccopy.d.rel_header = (GB_REL_HLS)MAKEREL( gbdoffset+PTR_DIFF(&(gbc->d), gbc),headeroffset); /* rel_header is relative to gbc->d !!! */ gbccopy.main_idx = main_idx; gbccopy.index_of_touched_one_son = 0; gbccopy.header_update_date = 0; gbccopy.rel_ifs = (GB_REL_IFS)MAKEREL(gbdoffset,ifsoffset); gbccopy_size = ftwrite_unaligned(&gbccopy, sizeof(gbccopy), out); } else { gbccopy_size = ALIGN(sizeof(gbccopy)); } *offset += gbccopy_size; } } else /* GBDATA */ { int ex = gbd->flags2.extern_data; GBDATA gbdcopy = *gbd; /* make copy to avoid change of mem */ if (ex) { long exoffset = *offset; size_t ex_size; if (out) ex_size = ftwrite_unaligned(GB_EXTERN_DATA_DATA(gbd->info.ex), gbdcopy.info.ex.memsize, out); else ex_size = ALIGN(gbdcopy.info.ex.memsize);; *offset += ex_size; gbdcopy.info.ex.rel_data = (GB_REL_STRING)MAKEREL(*offset+PTR_DIFF(&(gbd->info),gbd), exoffset); } gbdoffset = *offset; { size_t gbdcopy_size; if (out) { struct gbdata_offset *dof = find_gbdata_offset(quark, gbd); gbdcopy.index = dof->index; ad_assert(dof->index <= gbd->index); /* very simple check */ gbdcopy.rel_father = (GB_REL_CONTAINER)getrel_GBDATA(gbdoffset,(GBDATA*)GB_FATHER(gbd)); gbdcopy.ext = NULL; gbdcopy.server_id = GBTUM_MAGIC_NUMBER; convertFlags4Save(&(gbdcopy.flags),&(gbdcopy.flags2),NULL); gbdcopy.cache_index = 0; gbdcopy_size = ftwrite_unaligned(&gbdcopy, sizeof(gbdcopy), out); } else { gbdcopy_size = ALIGN(sizeof(gbdcopy)); } *offset += gbdcopy_size; } } return gbdoffset; } static long writeGbdByKey(GB_MAIN_TYPE *Main, gbdByKey gbk, FILE *out, GB_MAIN_IDX main_idx) { int idx; int idx2; long offset = ALIGN(sizeof(struct gb_map_header)); for (idx=0; idxkeycnt; idx++) { for (idx2=0; idx2keycnt; idx++) { for (idx2=0; idx2flags.temporary) return; if (GB_TYPE(gbd) == GB_DB) /* CONTAINER */ { int idx; GBCONTAINER *gbc = (GBCONTAINER *)gbd; GBDATA *gbd2; for (idx=0; idx < gbc->d.nheader; idx++) if ((gbd2=GBCONTAINER_ELEM(gbc,idx))!=NULL) scanGbdByKey(Main,gbd2,gbk); } quark = GB_KEY_QUARK(gbd); #if defined(DEBUG) if (quark == 0) { printf("KeyQuark==0 found:\n"); GB_dump_db_path(gbd); } /* ad_assert(quark != 0); // @@@ just a test */ #endif /* DEBUG */ ad_assert(gbk[quark].gbdoff!=0); gbk[quark].gbdoff[ gbk[quark].cnt ].gbd = gbd; gbk[quark].gbdoff[ gbk[quark].cnt ].offset = -1; /* -1 is impossible as offset in file */ gbk[quark].cnt++; } static gbdByKey createGbdByKey(GB_MAIN_TYPE *Main) { int idx; gbdByKey gbk = (gbdByKey)GB_calloc(Main->keycnt, sizeof(*gbk)); if (!gbk) goto err1; for (idx=0; idxkeycnt; idx++) { gbk[idx].cnt = 0; if (Main->keys[idx].key && Main->keys[idx].nref>0) { gbk[idx].gbdoff = (struct gbdata_offset *) GB_calloc((size_t)Main->keys[idx].nref, sizeof(*(gbk[idx].gbdoff))); if (!gbk[idx].gbdoff) goto err2; } } gbk[0].gbdoff = (struct gbdata_offset *)GB_calloc(1,sizeof(*(gbk[0].gbdoff))); // @@@ FIXME : this is maybe allocated twice (5 lines above and here), maybe idx == 0 is special ? scanGbdByKey(Main,(GBDATA*)Main->data,gbk); for (idx=0; idxkeycnt; idx++) if (gbk[idx].cnt) sort_gbdata_offsets(gbk[idx].gbdoff,gbk[idx].cnt); return gbk; /* error handling: */ err2: while (idx>=0) { free(gbk[idx].gbdoff); idx--; } free(gbk); err1: GB_memerr(); return NULL; } static void freeGbdByKey(GB_MAIN_TYPE *Main, gbdByKey gbk) { int idx; for (idx=0; idxkeycnt; idx++) free(gbk[idx].gbdoff); free(gbk); } /* ******************************************************** save ******************************************************** */ int gb_save_mapfile(GB_MAIN_TYPE *Main, GB_CSTR path) { struct gb_map_header mheader; FILE *out; long calcOffset, writeOffset; GB_MAIN_IDX main_idx; GB_CSTR opath = gb_overwriteName(path); gb_gbk = createGbdByKey(Main); if (!gb_gbk) goto error; calcOffset = calcGbdOffsets(Main,gb_gbk); /* write file */ out = fopen(opath, "w"); writeError = out==NULL; /* global flag */ ad_assert(ADMAP_ID_LEN <= strlen(ADMAP_ID)); memset(&mheader,0,sizeof(mheader)); strcpy(mheader.mapfileID,ADMAP_ID); /* header */ mheader.version = ADMAP_VERSION; mheader.byte_order = ADMAP_BYTE_ORDER; main_idx = gb_make_main_idx(Main); /* Generate a new main idx */ mheader.main_idx = main_idx; /* mheader.main_data_offset = getrel_GBDATA(0,(GBDATA*)Main->data); */ mheader.main_data_offset = getrel_GBDATA(1,(GBDATA*)Main->data)+1; ftwrite_unaligned(&mheader, sizeof(mheader), out); ad_assert(GB_FATHER(Main->data)==Main->dummy_father); SET_GB_FATHER(Main->data,NULL); writeOffset = writeGbdByKey(Main,gb_gbk,out,main_idx); SET_GB_FATHER(Main->data,Main->dummy_father); ad_assert(calcOffset==writeOffset); freeGbdByKey(Main,gb_gbk); gb_gbk = NULL; fclose(out); if (!writeError) return 0; /* no error */ error: GB_export_errorf("Error while saving FastLoad-File '%s'", opath); GB_unlink_or_warn(opath, NULL); return -1; } /* void renameOverwrittenMapfile(const char *path) { char *overwritten = overwriteName(path); FILE *in = fopen(overwritten,"r"); if (in) { fclose(in); remove(path); rename(overwritten,path); } } */ /** Test whether mapfile is valid * returns -1 no map file found * 0 mapfile error * 1 mapfile ok * -1 MEMORY_TEST (don't use mapfile) */ int gb_is_valid_mapfile(const char *path, struct gb_map_header *mheader, int verbose) { /* Dont map anything in memory debug mode */ #if ( MEMORY_TEST == 1) GBUSE(path); GBUSE(mheader); GBUSE(verbose); return -1; #else FILE *in = fopen(path,"r"); if (in) { const char *error_form = 0; if (verbose) printf("ARB: Opening FastLoad File '%s' ...\n",path); fread((char *)mheader, sizeof(*mheader),1,in); fclose(in); if (strcmp(mheader->mapfileID,ADMAP_ID)!=0) error_form = "'%s' is not a ARB-FastLoad-File"; else if (mheader->version!=ADMAP_VERSION) error_form = "FastLoad-File '%s' has wrong version"; else if (mheader->byte_order!=ADMAP_BYTE_ORDER) error_form = "FastLoad-File '%s' has wrong byte order"; if (error_form) { GB_export_errorf(error_form, path); GB_print_error(); return 0; } return 1; } return -1; #endif } /* The module admalloc.c must be able to determine whether a memory block is inside the mapped file. So we store the location of the mapped file in the following both static variables. */ static char *fileMappedTo[GB_MAX_MAPPED_FILES]; static long fileLen[GB_MAX_MAPPED_FILES]; static int mappedFiles = 0; GBDATA *gb_map_mapfile(const char *path) { struct gb_map_header mheader; if (gb_is_valid_mapfile(path, &mheader, 1)>0) { char *mapped; mapped = GB_map_file(path, 1); if (mapped) { fileMappedTo[mappedFiles] = mapped; fileLen[mappedFiles++] = GB_size_of_file(path); ad_assert(mappedFiles<=GB_MAX_MAPPED_FILES); return (GBDATA*)(mapped+mheader.main_data_offset); } } return NULL; } int gb_isMappedMemory(char *mem) { int file = 0; while (file=fileMappedTo[file] && mem<(fileMappedTo[file]+fileLen[file])) return 1; file++; } return 0; } ./arbsrc_9167/ARBDB/admap.h0000644012664100000130000000070011440743000015172 0ustar arb_buildcoders#ifndef __ADMAP_H #define __ADMAP_H #ifndef ADLOCAL_H #include "adlocal.h" #endif #define ADMAP_ID "ARBDB Mapfile" #define ADMAP_ID_LEN 13 #define ADMAP_VERSION 5 struct gb_map_header { char mapfileID[ADMAP_ID_LEN+1]; long version; long byte_order; GB_MAIN_IDX main_idx; /* main_idx used in GBDATA and GBCONTAINER */ long main_data_offset; /* offset of Main->data in MAP-File */ }; #endif ./arbsrc_9167/ARBDB/admatch.c0000644012664100000130000007436711440743000015530 0ustar arb_buildcoders/* ============================================================= */ /* */ /* File : admatch.c */ /* Purpose : functions related to string match/replace */ /* */ /* ReCoded for POSIX ERE by Ralf Westram (coder@reallysoft.de) */ /* in April 2009 */ /* Institute of Microbiology (Technical University Munich) */ /* http://www.arb-home.de/ */ /* */ /* ============================================================= */ #include "adlocal.h" #include #include #include #include /* ------------------------ */ /* string matcher */ struct GBS_string_matcher { enum { SM_ANY, // matches any string SM_WILDCARDED, // match with wildcards (GBS_string_matches) SM_REGEXPR, // match using regexpr } type; GB_CASE case_flag; char *wildexpr; GBS_REGEX *regexpr; }; GBS_MATCHER *GBS_compile_matcher(const char *search_expr, GB_CASE case_flag) { /* returns a valid string matcher (to be used with GBS_string_matches_regexp) * or NULL (in which case an error was exported) */ GBS_MATCHER *matcher = malloc(sizeof(*matcher)); GB_ERROR error = 0; matcher->type = -1; matcher->case_flag = case_flag; matcher->wildexpr = NULL; matcher->regexpr = NULL; if (search_expr[0] == '/') { const char *end = strchr(search_expr, 0)-1; if (end>search_expr && end[0] == '/') { GB_CASE expr_attached_case; const char *unwrapped_expr = GBS_unwrap_regexpr(search_expr, &expr_attached_case, &error); if (unwrapped_expr) { if (expr_attached_case != GB_MIND_CASE) error = "format '/../i' not allowed here"; else { matcher->regexpr = GBS_compile_regexpr(unwrapped_expr, case_flag, &error); if (matcher->regexpr) { matcher->type = SM_REGEXPR;; } } } } } if (matcher->regexpr == NULL && !error) { if (strcmp(search_expr, "*") == 0) { matcher->type = SM_ANY; } else { matcher->type = SM_WILDCARDED; matcher->wildexpr = strdup(search_expr); } } if (error) { GBS_free_matcher(matcher); matcher = 0; GB_export_error(error); } return matcher; } void GBS_free_matcher(GBS_MATCHER *matcher) { free(matcher->wildexpr); if (matcher->regexpr) GBS_free_regexpr(matcher->regexpr); free(matcher); } /* --------------------------------------------- */ /* Regular Expressions search/replace */ struct GBS_regex { regex_t compiled; }; // definition exists twice (see ../SL/REGEXPR/RegExpr.cxx) GBS_REGEX *GBS_compile_regexpr(const char *regexpr, GB_CASE case_flag, GB_ERROR *error) { GBS_REGEX *comreg = malloc(sizeof(*comreg)); int cflags = REG_EXTENDED|(case_flag == GB_IGNORE_CASE ? REG_ICASE : 0)|REG_NEWLINE; int errcode = regcomp(&comreg->compiled, regexpr, cflags); if (errcode != 0) { // error compiling regexpr size_t size = regerror(errcode, &comreg->compiled, NULL, 0); GB_BUFFER buf = GB_give_buffer(size); regerror(errcode, &comreg->compiled, buf, size); *error = buf; free(comreg); comreg = NULL; } else { *error = NULL; } return comreg; } void GBS_free_regexpr(GBS_REGEX *toFree) { if (toFree) { regfree(&toFree->compiled); free(toFree); } } const char *GBS_unwrap_regexpr(const char *regexpr_in_slashes, GB_CASE *case_flag, GB_ERROR *error) { /* unwraps 'expr' from '/expr/[i]' * if slashes are not present, 'error' is set * 'case_flag' is set to GB_MIND_CASE if format is '/expr/' or * to GB_IGNORE_CASE if format is '/expr/i' * * returns a pointer to a static buffer (containing the unwrapped expression) * (Note: The content is invalidated by the next call to GBS_unwrap_regexpr) */ const char *result = NULL; const char *end = strchr(regexpr_in_slashes, 0); if (end >= (regexpr_in_slashes+3)) { *case_flag = GB_MIND_CASE; if (end[-1] == 'i') { *case_flag = GB_IGNORE_CASE; end--; } if (regexpr_in_slashes[0] == '/' && end[-1] == '/') { ad_assert(*error == NULL); static char *result_buffer = 0; static size_t max_len = 0; size_t len = end-regexpr_in_slashes-2; ad_assert(len>0); // don't accept empty expression if (len>max_len) { max_len = len*3/2; freeset(result_buffer, malloc(max_len+1)); } memcpy(result_buffer, regexpr_in_slashes+1, len); result_buffer[len] = 0; result = result_buffer; } } if (!result) { *error = GBS_global_string("Regular expression format is '/expr/' or '/expr/i', not '%s'", regexpr_in_slashes); } return result; } const char *GBS_regmatch_compiled(const char *str, GBS_REGEX *comreg, size_t *matchlen) { /* like GBS_regmatch, * - but uses a precompiled regular expression * - no errors can occur here (beside out of memory, which is not handled) */ regmatch_t match; int res = regexec(&comreg->compiled, str, 1, &match, 0); const char *matchpos = NULL; if (res == 0) { // matched matchpos = str+match.rm_so; if (matchlen) *matchlen = match.rm_eo-match.rm_so; } return matchpos; } const char *GBS_regmatch(const char *str, const char *regExpr, size_t *matchlen, GB_ERROR *error) { /* searches 'str' for first occurrence of 'regExpr' * 'regExpr' has to be in format "/expr/[i]", where 'expr' is a POSIX extended regular expression * * returns * - pointer to start of first match in 'str' and * length of match in 'matchlen' ('matchlen' may be NULL, then no len is reported) * or * - NULL if nothing matched (in this case 'matchlen' is undefined) * * 'error' will be set if sth is wrong * * Note: Only use this function if you do exactly ONE match. * Use GBS_regmatch_compiled if you use the regexpr twice or more! */ const char *firstMatch = NULL; GB_CASE case_flag; const char *unwrapped_expr = GBS_unwrap_regexpr(regExpr, &case_flag, error); if (unwrapped_expr) { GBS_REGEX *comreg = GBS_compile_regexpr(unwrapped_expr, case_flag, error); if (comreg) { firstMatch = GBS_regmatch_compiled(str, comreg, matchlen); GBS_free_regexpr(comreg); } } return firstMatch; } char *GBS_regreplace(const char *str, const char *regReplExpr, GB_ERROR *error) { /* search and replace all matches in 'str' using POSIX extended regular expression * 'regReplExpr' has to be in format '/regexpr/replace/[i]' * * returns * - a heap copy of the modified string or * - NULL if something went wrong (in this case 'error' contains the reason) * * 'replace' may contain several special substrings: * * "\n" gets replaced by '\n' * "\t" -------''------- '\t' * "\\" -------''------- '\\' * "\0" -------''------- the complete match to regexpr * "\1" -------''------- the match to the first subexpression * "\2" -------''------- the match to the second subexpression * ... * "\9" -------''------- the match to the ninth subexpression */ GB_CASE case_flag; const char *unwrapped_expr = GBS_unwrap_regexpr(regReplExpr, &case_flag, error); char *result = NULL; if (unwrapped_expr) { const char *sep = unwrapped_expr; while (sep) { sep = strchr(sep, '/'); if (!sep) break; if (sep>unwrapped_expr && sep[-1] != '\\') break; } if (!sep) { // Warning: GB_command_interpreter() tests for this error message - don't change *error = "Missing '/' between search and replace string"; } else { char *regexpr = GB_strpartdup(unwrapped_expr, sep-1); char *replexpr = GB_strpartdup(sep+1, NULL); GBS_REGEX *comreg = GBS_compile_regexpr(regexpr, case_flag, error); if (comreg) { struct GBS_strstruct *out = GBS_stropen(1000); int eflags = 0; while (str) { regmatch_t match[10]; int res = regexec(&comreg->compiled, str, 10, match, eflags); if (res == REG_NOMATCH) { GBS_strcat(out, str); str = 0; } else { // found match size_t p; char c; GBS_strncat(out, str, match[0].rm_so); for (p = 0; (c = replexpr[p]); ++p) { if (c == '\\') { c = replexpr[++p]; if (!c) break; if (c >= '0' && c <= '9') { regoff_t start = match[c-'0'].rm_so; GBS_strncat(out, str+start, match[c-'0'].rm_eo-start); } else { switch (c) { case 'n': c = '\n'; break; case 't': c = '\t'; break; default: break; } GBS_chrcat(out, c); } } else { GBS_chrcat(out, c); } } str = str+match[0].rm_eo; // continue behind match eflags = REG_NOTBOL; // for futher matches, do not regard 'str' as "beginning of line" } } GBS_free_regexpr(comreg); result = GBS_strclose(out); } free(replexpr); free(regexpr); } } return result; } /* ------------------------- */ /* wildcard search */ GB_CSTR GBS_find_string(GB_CSTR str, GB_CSTR substr, int match_mode) { /* search a substring in another string match_mode == 0 -> exact match match_mode == 1 -> a==A match_mode == 2 -> a==a && a==? match_mode == else -> a==A && a==? */ const char *p1, *p2; char b; switch (match_mode) { case 0: /* exact match */ for (p1 = str, p2 = substr; *p1;) { if (!(b = *p2)) { return (char *)str; } else { if (b == *p1) { p1++; p2++; } else { p2 = substr; p1 = (++str); } } } if (!*p2) return (char *)str; break; case 1: /* a==A */ for (p1 = str, p2 = substr; *p1;) { if (!(b = *p2)) { return (char *)str; } else { if (toupper(*p1) == toupper(b)) { p1++; p2++; } else { p2 = substr; p1 = (++str); } } } if (!*p2) return (char *)str; break; case 2: /* a==a && a==? */ for (p1 = str, p2 = substr; *p1;) { if (!(b = *p2)) { return (char *)str; } else { if (b == *p1 || (b=='?')) { p1++; p2++; } else { p2 = substr; p1 = (++str); } } } if (!*p2) return (char *)str; break; default: /* a==A && a==? */ for (p1 = str, p2 = substr; *p1;) { if (!(b = *p2)) { return (char *)str; } else { if (toupper(*p1) == toupper(b) || (b=='?') ) { p1++; p2++; } else { p2 = substr; p1 = (++str); } } } if (!*p2) return (char *)str; break; } return 0; } GB_BOOL GBS_string_matches(const char *str, const char *search, GB_CASE case_sens) /* Wildcards in 'search' string: * ? one character * * serveral characters * * if 'case_sens' == GB_IGNORE_CASE -> change all letters to uppercase * * returns GB_TRUE if strings are equal, GB_FALSE otherwise */ { const char *p1,*p2; char a,b,*d; long i; char fsbuf[256]; p1 = str; p2 = search; while (1) { a = *p1; b = *p2; if (b == '*') { if (!p2[1]) break; /* '*' also matches nothing */ i = 0; d = fsbuf; for (p2++; (b=*p2)&&(b!='*'); ) { *(d++) = b; p2++; i++; if (i > 250) break; } if (*p2 != '*' ) { p1 += strlen(p1)-i; /* check the end of the string */ if (p1 < str) return GB_FALSE; p2 -= i; } else { *d = 0; p1 = GBS_find_string(p1,fsbuf,2+(case_sens == GB_IGNORE_CASE)); // match with '?' wildcard if (!p1) return GB_FALSE; p1 += i; } continue; } if (!a) return b ? GB_FALSE : GB_TRUE; if (a != b) { if (b != '?') { if (!b) return a ? GB_FALSE : GB_TRUE; if (case_sens == GB_IGNORE_CASE) { a = toupper(a); b = toupper(b); if (a != b) return GB_FALSE; } else { return GB_FALSE; } } } p1++; p2++; } return GB_TRUE; } GB_BOOL GBS_string_matches_regexp(const char *str, const GBS_MATCHER *expr) { /* Wildcard or regular expression match * Returns GB_TRUE if match * * Use GBS_compile_matcher() and GBS_free_matcher() to maintain 'expr' */ GB_BOOL matches = GB_FALSE; switch (expr->type) { case SM_ANY: { matches = GB_TRUE; break; } case SM_WILDCARDED: { matches = GBS_string_matches(str, expr->wildexpr, expr->case_flag); break; } case SM_REGEXPR: { matches = GBS_regmatch_compiled(str, expr->regexpr, NULL) != NULL; break; } default: { ad_assert(0); break; } } return matches; } /* ----------------------------------- */ /* Search replace tool (SRT) */ #define GBS_SET ((char)1) #define GBS_SEP ((char)2) #define GBS_MWILD ((char)3) #define GBS_WILD ((char)4) int GBS_reference_not_found; ATTRIBUTED(__ATTR__USERESULT, static GB_ERROR gbs_build_replace_string(void *strstruct, char *bar,char *wildcards, long max_wildcard, char **mwildcards, long max_mwildcard, GBDATA *gb_container)) { char *p,c,d; int wildcardcnt = 0; int mwildcardcnt = 0; int wildcard_num; char *entry; p = bar; wildcardcnt = 0; mwildcardcnt = 0; p = bar; while ( (c=*(p++)) ) { switch (c){ case GBS_MWILD: case GBS_WILD: d = *(p++); if (gb_container && (d=='(')) { /* if a gbcont then replace till ')' */ GBDATA *gb_entry; char *klz; char *psym; klz = gbs_search_second_bracket(p); if (klz) { /* reference found: $(gbd) */ int seperator = 0; *klz = 0; psym = strpbrk(p,"#|:"); if (psym) { seperator = *psym; *psym =0; } if (*p){ gb_entry = GB_search(gb_container,p,GB_FIND); }else{ gb_entry = gb_container; } if (psym) *psym = seperator; if (!gb_entry || gb_entry == gb_container) { GBS_reference_not_found = 1; entry = strdup(""); }else{ entry = GB_read_as_string(gb_entry); } if (entry) { char *h; switch(seperator) { case ':': h = GBS_string_eval(entry,psym+1,gb_container); if (!h) return GB_await_error(); GBS_strcat(strstruct,h); free(h); break; case '|': h = GB_command_interpreter(GB_get_root(gb_container), entry,psym+1,gb_container, 0); if (!h) return GB_await_error(); GBS_strcat(strstruct,h); free(h); break; case '#': if (!gb_entry){ GBS_strcat(strstruct,psym+1); break; } // fall-through default: GBS_strcat(strstruct,entry); break; } free(entry); } *klz = ')'; p = klz+1; break; } c = '*'; GBS_chrcat(strstruct,c); GBS_chrcat(strstruct,d); } else { wildcard_num = d - '1'; if (c == GBS_WILD) { c = '?'; if ( (wildcard_num<0)||(wildcard_num>9) ) { p--; /* use this character */ wildcard_num = wildcardcnt++; } if (wildcard_num>=max_wildcard) { GBS_chrcat(strstruct,c); } else { GBS_chrcat(strstruct,wildcards[wildcard_num]); } } else { c = '*'; if ( (wildcard_num<0)||(wildcard_num>9) ) { p--; /* use this character */ wildcard_num = mwildcardcnt++; } if (wildcard_num>=max_mwildcard) { GBS_chrcat(strstruct,c); }else{ GBS_strcat(strstruct,mwildcards[wildcard_num]); } } } break; default: GBS_chrcat(strstruct,c); break; } /* switch c */ } return 0; } static char *gbs_compress_command(const char *com) { /* Prepare SRT. * * Replaces all * '=' by GBS_SET * ':' by GBS_SEP * '?' by GBS_WILD if followed by a number or '?' * '*' by GBS_MWILD or '(' * \ is the escape charakter */ char *result,*s,*d; int ch; s = d = result = strdup(com); while ( (ch = *(s++)) ){ switch (ch) { case '=': *(d++) = GBS_SET;break; case ':': *(d++) = GBS_SEP;break; case '?': ch = *s; /*if ( (ch>='0' && ch <='9') || ch=='?'){ *(d++) = GBS_WILD;break;}*/ *(d++) = GBS_WILD; break; case '*': ch = *s; /* if ( (ch>='0' && ch <='9') || ch=='('){ *(d++) = GBS_MWILD;break;}*/ *(d++) = GBS_MWILD; break; case '\\': ch = *(s++); if (!ch) { s--; break; }; switch (ch) { case 'n': *(d++) = '\n';break; case 't': *(d++) = '\t';break; case '0': *(d++) = '\0';break; default: *(d++) = ch;break; } break; default: *(d++) = ch; } } *d = 0; return result; } char *GBS_string_eval(const char *insource, const char *icommand, GBDATA *gb_container) /* GBS_string_eval replaces substrings in source * Syntax: command = "oliver=olli:peter=peti" * * Returns a heapcopy of result of replacement. * * * is a wildcard for any number of character * ? is a wildcard for exactly one character * * To reference to the wildcards on the left side of the '=' * use ? and *, to reference in a different order use: * *0 to reference to the first occurrence of * * *1 second * ... * *9 * * if the last and first characters of the search string are no '*' wildcards then * the replace is repeated as many times as possible * '\' is the escape character: e.g. \n is newline; '\\' is '\'; '\=' is '='; .... * * eg: * print first three characters of first word and the whole second word: * * *(arb_key) is the value of the a database entry arb key * *(arb_key#string) value of the database entry or 'string' if the entry does not exist * *(arb_key\:SRT) runs SRT recursively on the value of the database entry * *([arb_key]|ACI) runs the ACI command interpreter on the value of the database entry (or on an empty string) * * If an error occurs it returns NULL - in this case the error was exported. */ { GB_CSTR source; /* pointer into the current string when parsed */ char *search; /* pointer into the current command when parsed */ GB_CSTR p; /* short live pointer */ char c; GB_CSTR already_transferred; /* point into 'in' string to non parsed position */ char wildcard[40]; char *mwildcard[10]; GB_ERROR error; long i; long max_wildcard; long max_mwildcard; char *start_of_wildcard; char what_wild_card; GB_CSTR start_match; char *doppelpunkt; char *bar; char *in; char *nextdp; void *strstruct; char *command; if (!icommand || !icommand[0]) return strdup(insource); command = gbs_compress_command(icommand); in = strdup(insource); /* copy insource to allow to destroy it */ for (doppelpunkt = command; doppelpunkt; doppelpunkt = nextdp) { /* loop over command string */ /* in is in , strstruct is out */ max_wildcard = 0; max_mwildcard = 0; nextdp = strchr(doppelpunkt, GBS_SEP); if (nextdp){ *(nextdp++) = 0; } if (!doppelpunkt[0]) { /* empty command -> search next */ continue; } bar = strchr(doppelpunkt+1, GBS_SET); /* Parse the command string !!!! */ if (bar) { *(bar++) = 0; } else { GB_export_errorf("SRT ERROR: no '=' found in command '%s' (position > %zi)", icommand, doppelpunkt-command+1); free(command); free(in); return 0; } already_transferred = in; strstruct = GBS_stropen(1000); /* create output stream */ if ( (!*in) && doppelpunkt[0] == GBS_MWILD && doppelpunkt[1] == 0) { /* empty string -> pars myself */ /* * matches empty string !!!! */ mwildcard[max_mwildcard++] = strdup(""); gbs_build_replace_string(strstruct,bar,wildcard, max_wildcard, mwildcard, max_mwildcard,gb_container); goto gbs_pars_unsuccessfull; /* successfull search*/ } for (source = in;*source; ) { /* loop over string */ search = doppelpunkt; start_match = 0; /* match string for '*' */ while ( (c = *(search++)) ) { /* search matching command */ switch (c) { case GBS_MWILD: if (!start_match) start_match = source; start_of_wildcard = search; if ( !(c = *(search++) ) ) { /* last character is a wildcard -> that was it */ mwildcard[max_mwildcard++] = strdup(source); source += strlen(source); goto gbs_pars_successfull; /* successfull search and end wildcard*/ } while ( (c=*(search++)) && c!=GBS_MWILD && c!=GBS_WILD ); /* search the next wildcardstring */ search--; /* back one character */ *search = 0; what_wild_card = c; p = GBS_find_string(source,start_of_wildcard,0); if (!p){ /* string not found -> unsuccessful search */ goto gbs_pars_unsuccessfull; } c = *p; /* set wildcard */ mwildcard[max_mwildcard++] = GB_strpartdup(source, p-1); source = p + strlen(start_of_wildcard); /* we parsed it */ *search = what_wild_card; break; case GBS_WILD: if ( !source[0] ) { goto gbs_pars_unsuccessfull; } if (!start_match) start_match = source; wildcard[max_wildcard++] = *(source++); break; default: if (start_match) { if (c != *(source++)) { goto gbs_pars_unsuccessfull; } break; }else{ char *buf1; buf1 = search-1; while ( (c=*(search++)) && c!=GBS_MWILD && c!=GBS_WILD ); /* search the next wildcardstring */ search--; /* back one character */ *search = 0; what_wild_card = c; p = GBS_find_string(source,buf1,0); if (!p){ /* string not found -> unsuccessful search */ goto gbs_pars_unsuccessfull; } start_match = p; source = p + strlen(buf1); /* we parsed it */ *search = what_wild_card; } break; } /* switch */ } /* while */ /* search matching command */ gbs_pars_successfull: /* now we got source: pointer to end of match start_match: pointer to start of match in: pointer to the entire string already_transferred: pointer to the start of the unparsed string bar: the replace string */ /* now look for the replace string */ GBS_strncat(strstruct,already_transferred,start_match-already_transferred); /* cat old data */ error = gbs_build_replace_string(strstruct,bar,wildcard, max_wildcard, /* do the command */ mwildcard, max_mwildcard,gb_container); already_transferred = source; for (i = 0; i < max_mwildcard; i++) { freeset(mwildcard[i], 0); } max_wildcard = 0; max_mwildcard = 0; if (error) { free(GBS_strclose(strstruct)); free(command); free(in); GB_export_error(error); return 0; } } /* while parsing */ gbs_pars_unsuccessfull: GBS_strcat(strstruct,already_transferred); /* cat the rest data */ for (i = 0; i < max_mwildcard; i++){ freeset(mwildcard[i], 0); } max_wildcard = 0; max_mwildcard = 0; freeset(in, GBS_strclose(strstruct)); } free(command); return in; } ./arbsrc_9167/ARBDB/admath.c0000644012664100000130000000254611440743000015353 0ustar arb_buildcoders#include #include /* #include */ #include #include #include /*#include */ #include "adlocal.h" double GB_log_fak(int n){ /* returns log(n!) */ static int max_n = 0; static double *res = 0; if (n<=1) return 0.0; /* log 1 = 0 */ if (n >= max_n){ double sum = 0; int i; freeset(res, NULL); max_n = n + 100; res = (double *)GB_calloc(sizeof(double),max_n); for (i=1;iRAND_MAX) { printf("Warning: range to big for random granularity (%i > %i)\n", range, RAND_MAX); } #endif /* DEBUG */ return (int)(rand()*((double)range) / (RAND_MAX+1.0)); } ./arbsrc_9167/ARBDB/AD_MOBJECTS.h0000644012664100000130000000134111440743000015664 0ustar arb_buildcoders# objects with autogenerated headers (ad_lpro.h + ad_prot.h + ad_k_prot.h) GB_O = adsort.o adlang1.o adstring.o admatch.o arbdb.o \ ad_core.o admath.o adoptimize.o adsystem.o \ adindex.o adperl.o adlink.o \ adsocket.o adcomm.o adhash.o \ adquery.o ad_save_load.o \ adcompr.o admalloc.o ad_load.o \ admap.o adTest.o adtune.o \ adGene.o adtcp.o adhashtools.o \ adExperiment.o # objects with autogenerated headers (ad_t_lpro.h + ad_t_prot.h) GB_T = adtools.o adseqcompr.o adtables.o adRevCompl.o adChangeKey.o \ adali.o adcolumns.o adtree.o adname.o aditem.o # c++-only objects GB_PP = arbdbpp.o # objects with own header files GB_X = ad_config.o ./arbsrc_9167/ARBDB/adname.c0000644012664100000130000002437411440743000015345 0ustar arb_buildcoders/* ============================================================ */ /* */ /* File : adname.c */ /* Purpose : species names */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* www.arb-home.de */ /* */ /* ============================================================ */ #include #include #include #include #include #include /******************************************************************************************** Rename one or many species (only one session at a time/ uses commit abort transaction) ********************************************************************************************/ struct gbt_renamed_struct { int used_by; char data[1]; }; struct gbt_rename_struct { GB_HASH *renamed_hash; GB_HASH *old_species_hash; GBDATA *gb_main; GBDATA *gb_species_data; int all_flag; } gbtrst; GB_ERROR GBT_begin_rename_session(GBDATA *gb_main, int all_flag) { /* Starts a rename session. * If whole database shall be renamed, set 'all_flag' == 1. * Use GBT_abort_rename_session() or GBT_commit_rename_session() to end the session. */ GB_ERROR error = GB_push_transaction(gb_main); if (!error) { gbtrst.gb_main = gb_main; gbtrst.gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); if (!all_flag) { // this is meant to be used for single or few species int hash_size = 256; gbtrst.renamed_hash = GBS_create_dynaval_hash(hash_size, GB_MIND_CASE, GBS_dynaval_free); gbtrst.old_species_hash = 0; } else { int hash_size = GBT_get_species_hash_size(gb_main); gbtrst.renamed_hash = GBS_create_dynaval_hash(hash_size, GB_MIND_CASE, GBS_dynaval_free); gbtrst.old_species_hash = GBT_create_species_hash(gb_main); } gbtrst.all_flag = all_flag; } return error; } GB_ERROR GBT_rename_species(const char *oldname, const char *newname, GB_BOOL ignore_protection) { GBDATA *gb_species; GBDATA *gb_name; GB_ERROR error; if (strcmp(oldname, newname) == 0) return 0; #if defined(DEBUG) && 1 if (isdigit(oldname[0])) { printf("oldname='%s' newname='%s'\n", oldname, newname); } #endif if (gbtrst.all_flag) { gb_assert(gbtrst.old_species_hash); gb_species = (GBDATA *)GBS_read_hash(gbtrst.old_species_hash,oldname); } else { GBDATA *gb_found_species; gb_assert(gbtrst.old_species_hash == 0); gb_found_species = GBT_find_species_rel_species_data(gbtrst.gb_species_data, newname); gb_species = GBT_find_species_rel_species_data(gbtrst.gb_species_data, oldname); if (gb_found_species && gb_species != gb_found_species) { return GB_export_errorf("A species named '%s' already exists.",newname); } } if (!gb_species) { return GB_export_errorf("Expected that a species named '%s' exists (maybe there are duplicate species, database might be corrupt)",oldname); } gb_name = GB_entry(gb_species,"name"); if (ignore_protection) GB_push_my_security(gbtrst.gb_main); error = GB_write_string(gb_name,newname); if (ignore_protection) GB_pop_my_security(gbtrst.gb_main); if (!error){ struct gbt_renamed_struct *rns; if (gbtrst.old_species_hash) { GBS_write_hash(gbtrst.old_species_hash, oldname, 0); } rns = (struct gbt_renamed_struct *)GB_calloc(strlen(newname) + sizeof (struct gbt_renamed_struct),sizeof(char)); strcpy(&rns->data[0],newname); GBS_write_hash(gbtrst.renamed_hash,oldname,(long)rns); } return error; } static void gbt_free_rename_session_data(void) { if (gbtrst.renamed_hash) { GBS_free_hash(gbtrst.renamed_hash); gbtrst.renamed_hash = 0; } if (gbtrst.old_species_hash) { GBS_free_hash(gbtrst.old_species_hash); gbtrst.old_species_hash = 0; } } GB_ERROR GBT_abort_rename_session(void) { gbt_free_rename_session_data(); return GB_abort_transaction(gbtrst.gb_main); } static const char *currentTreeName = 0; GB_ERROR gbt_rename_tree_rek(GBT_TREE *tree,int tree_index){ char buffer[256]; static int counter = 0; if (!tree) return 0; if (tree->is_leaf){ if (tree->name){ struct gbt_renamed_struct *rns = (struct gbt_renamed_struct *)GBS_read_hash(gbtrst.renamed_hash,tree->name); if (rns){ char *newname; if (rns->used_by == tree_index){ /* species more than once in the tree */ sprintf(buffer,"%s_%i", rns->data, counter++); GB_warningf("Species '%s' more than once in '%s', creating zombie '%s'", tree->name, currentTreeName, buffer); newname = buffer; } else { newname = &rns->data[0]; } freedup(tree->name, newname); rns->used_by = tree_index; } } }else{ gbt_rename_tree_rek(tree->leftson,tree_index); gbt_rename_tree_rek(tree->rightson,tree_index); } return 0; } #ifdef __cplusplus extern "C" #endif GB_ERROR GBT_commit_rename_session(int (*show_status)(double gauge), int (*show_status_text)(const char *)){ GB_ERROR error = 0; // rename species in trees { int tree_count; char **tree_names = GBT_get_tree_names_and_count(gbtrst.gb_main, &tree_count); if (tree_names) { int count; gb_assert(tree_count); // otherwise tree_names should be zero if (show_status_text) show_status_text(GBS_global_string("Renaming species in %i tree%c", tree_count, "s"[tree_count<2])); if (show_status) show_status(0.0); for (count = 0; counttop_area : &config->middle_area); GBT_config_parser *parser = GBT_start_config_parser(*configStrPtr); GBT_config_item *item = GBT_create_config_item(); void *strstruct = GBS_stropen(1000); error = GBT_parse_next_config_item(parser, item); while (!error && item->type != CI_END_OF_CONFIG) { if (item->type == CI_SPECIES) { struct gbt_renamed_struct *rns = (struct gbt_renamed_struct *)GBS_read_hash(gbtrst.renamed_hash, item->name); if (rns) { // species was renamed freedup(item->name, rns->data); need_save = 1; } } GBT_append_to_config_string(item, strstruct); error = GBT_parse_next_config_item(parser, item); } if (!error) freeset(*configStrPtr, GBS_strclose(strstruct)); GBT_free_config_item(item); GBT_free_config_parser(parser); } if (!error && need_save) error = GBT_save_configuration_data(config, gbtrst.gb_main, config_names[count]); } if (show_status) show_status((double)(count+1)/config_count); } GBT_free_names(config_names); } } // rename links in pseudo-species if (!error && GEN_is_genome_db(gbtrst.gb_main, -1)) { GBDATA *gb_pseudo; for (gb_pseudo = GEN_first_pseudo_species(gbtrst.gb_main); gb_pseudo && !error; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { GBDATA *gb_origin_organism = GB_entry(gb_pseudo, "ARB_origin_species"); if (gb_origin_organism) { const char *origin = GB_read_char_pntr(gb_origin_organism); struct gbt_renamed_struct *rns = (struct gbt_renamed_struct *)GBS_read_hash(gbtrst.renamed_hash, origin); if (rns) { // species was renamed const char *newname = &rns->data[0]; error = GB_write_string(gb_origin_organism, newname); } } } } gbt_free_rename_session_data(); error = GB_pop_transaction(gbtrst.gb_main); return error; } ./arbsrc_9167/ARBDB/adoptimize.c0000644012664100000130000025115211440743000016261 0ustar arb_buildcoders#include #include #include #include #include #include #include "adlocal.h" #include "arbdbt.h" #if defined(DEBUG) /* #define TEST_DICT */ #endif /* DEBUG */ typedef unsigned char unsigned_char; typedef unsigned char *u_str; typedef const unsigned char *cu_str; struct S_GB_FULL_DICT_TREE; struct S_GB_SINGLE_DICT_TREE; static int gbdByKey_cnt; typedef struct /* one for each diff. keyQuark */ { int cnt; GBDATA **gbds; /* gbdoff */ } O_gbdByKey; typedef union U_GB_DICT_TREE { struct S_GB_FULL_DICT_TREE *full; struct S_GB_SINGLE_DICT_TREE *single; void *exists; } GB_DICT_TREE; typedef enum { SINGLE_NODE, FULL_NODE } GB_DICT_NODE_TYPE; typedef struct S_GB_FULL_DICT_TREE { GB_DICT_NODE_TYPE typ; /* always FULL_NODE */ int usedSons; int count[256]; GB_DICT_TREE son[256]; /* index == character */ } GB_FULL_DICT_TREE; typedef struct S_GB_SINGLE_DICT_TREE { GB_DICT_NODE_TYPE typ; /* always SINGLE_NODE */ unsigned_char ch; /* the character */ int count; /* no of occurrences of this branch */ GB_DICT_TREE son; GB_DICT_TREE brother; } GB_SINGLE_DICT_TREE; /****************************************************/ #define COMPRESSABLE(type) ((type) >= GB_BYTES && (type)<=GB_STRING) #define DICT_MEM_WEIGHT 4 #define WORD_HELPFUL(wordlen, occurrences) ((long)((occurrences)*3 + DICT_MEM_WEIGHT*(2*sizeof(GB_NINT)+(wordlen))) \ < \ (long)((occurrences)*(wordlen))) /* (occurrences)*4 compressed size * 2*sizeof(GB_NINT)+(wordlen) size in dictionary * (occurrences)*(wordlen) uncompressed size */ /****************************************************/ #define MIN_WORD_LEN 8 /* minimum length of words in dictionary */ #define MAX_WORD_LEN 50 /* maximum length of words in dictionary */ #define MAX_BROTHERS 10 /* maximum no of brothers linked with GB_SINGLE_DICT_TREE * above we use GB_FULL_DICT_TREE */ #define MAX_DIFFER 2 /* percentage of difference (of occurrences of strings) below which two * consecutive parts are treated as EQUAL # of occurrences */ #define INCR_DIFFER 1 /* the above percentage is incremented from 0 to MAX_DIFFER by INCR_DIFFER per step */ #define DICT_STRING_INCR 1024 /* dictionary string will be incremented by this size */ /******************** Tool functions *******************/ static GB_INLINE cu_str get_data_n_size(GBDATA *gbd, long *size) { GB_CSTR data; int type = GB_TYPE(gbd); *size = 0; switch (type) { case GB_STRING: data = GB_read_char_pntr(gbd); break; case GB_LINK: data = GB_read_link_pntr(gbd); break; case GB_BYTES: data = GB_read_bytes_pntr(gbd); break; case GB_INTS: data = (char*)GB_read_ints_pntr(gbd); break; case GB_FLOATS: data = (char*)GB_read_floats_pntr(gbd); break; default: data = 0; ad_assert(0); break; } if (data) *size = GB_UNCOMPRESSED_SIZE(gbd, type); return (cu_str)data; } static GB_INLINE long min(long a, long b) { return ad.nheader; idx++) if ((gbd2=GBCONTAINER_ELEM(gbc,idx))!=NULL) g_b_opti_scanGbdByKey(Main,gbd2,gbk); } quark = GB_KEY_QUARK(gbd); if (quark) { ad_assert(gbk[quark].cnt < Main->keys[quark].nref || quark==0); ad_assert(gbk[quark].gbds != 0); gbk[quark].gbds[ gbk[quark].cnt ] = gbd; gbk[quark].cnt++; } } static O_gbdByKey *g_b_opti_createGbdByKey(GB_MAIN_TYPE *Main) { int idx; O_gbdByKey *gbk = (O_gbdByKey *)GB_calloc(Main->keycnt, sizeof(O_gbdByKey)); gbdByKey_cnt = Main->keycnt; /* always use gbdByKey_cnt instead of Main->keycnt cause Main->keycnt can change */ for (idx=1; idxkeys[idx].key && Main->keys[idx].nref>0) { gbk[idx].gbds = (GBDATA **) GB_calloc(Main->keys[idx].nref, sizeof(GBDATA*)); } else { gbk[idx].gbds = NULL; } } gbk[0].cnt = 0; gbk[0].gbds = (GBDATA **)GB_calloc(1,sizeof(GBDATA*)); g_b_opti_scanGbdByKey(Main,(GBDATA*)Main->data,gbk); for (idx=0; idxkeys[idx].nref && idx) { printf("idx=%i gbk[idx].cnt=%i Main->keys[idx].nref=%li\n", /* Main->keys[].nref ist falsch */ idx,gbk[idx].cnt,Main->keys[idx].nref); Main->keys[idx].nref = gbk[idx].cnt; } /*ad_assert(gbk[idx].cnt == Main->keys[idx].nref || idx==0);*/ } return gbk; } static void g_b_opti_freeGbdByKey(GB_MAIN_TYPE *Main, O_gbdByKey *gbk) { int idx; GBUSE(Main); for (idx=0; idxflags.compressed_data || GB_TYPE(gb_p) == GB_DB){ error = gb_convert_compression(gb_p); if (error) break; } } } else { char *string = 0; long elems = GB_GETSIZE(source); long data_size = GB_UNCOMPRESSED_SIZE(source, type); long new_size = -1; int expectData = 1; switch (type) { case GB_STRING: case GB_LINK: case GB_BYTES: string = gb_uncompress_bytes(GB_GETDATA(source), data_size, &new_size); if (string) { ad_assert(new_size == data_size); string = gbs_malloc_copy(string, data_size); } break; case GB_INTS: case GB_FLOATS: string = gb_uncompress_longs_old(GB_GETDATA(source), elems, &new_size); if (string) { ad_assert(new_size == data_size); string = gbs_malloc_copy(string, data_size); } break; default: expectData = 0; break; } if (!string) { if (expectData) { error = GBS_global_string("Can't read old data to convert compression (Reason: %s)", GB_await_error()); } } else { switch (type) { case GB_STRING: error = GB_write_string(source, ""); if (!error) error = GB_write_string(source, string); break; case GB_LINK: error = GB_write_link(source, ""); if (!error) error = GB_write_link(source, string); break; case GB_BYTES: error = GB_write_bytes(source, "", 0); if (!error) error = GB_write_bytes(source, string, data_size); break; case GB_INTS: case GB_FLOATS: error = GB_write_pntr(source, string, data_size, elems); break; default: ad_assert(0); break; } free(string); } } return error; } GB_ERROR gb_convert_V2_to_V3(GBDATA *gb_main){ GB_ERROR error = 0; GBDATA *gb_system = GB_search(gb_main,GB_SYSTEM_FOLDER, GB_FIND); if (!gb_system) { gb_system = GB_create_container(gb_main, GB_SYSTEM_FOLDER); if (GB_entry(gb_main,"extended_data")){ GB_warning("Converting data from old V2.0 to V2.1 Format:\n" " Please Wait (may take some time)"); } error = gb_convert_compression(gb_main); GB_disable_quicksave(gb_main,"Database converted to new format"); } return error; } /* ********************* Compress by dictionary ******************** */ /* compression tag format: * * unsigned int compressed:1; * if compressed==0: * unsigned int last:1; ==1 -> this is the last block * unsigned int len:6; length of uncompressable bytes * char[len]; * if compressed==1: * unsigned int idxlen:1; ==0 -> 10-bit index * ==1 -> 18-bit index * unsigned int idxhigh:2; the 2 highest bits of the index * unsigned int len:4; (length of word) - (MIN_COMPR_WORD_LEN-1) * if len==0: * char extralen; (length of word) - * char[idxlen+1]; index (low,high) * * tag == 64 -> end of dictionary compressed block (if not coded in last uncompressed block) */ GB_INLINE int INDEX_DICT_OFFSET(int idx, GB_DICTIONARY *dict) { ad_assert(idxwords); return ntohl(dict->offsets[idx]); } GB_INLINE int ALPHA_DICT_OFFSET(int idx, GB_DICTIONARY *dict) { int realIndex; ad_assert(idxwords); realIndex = ntohl(dict->resort[idx]); return INDEX_DICT_OFFSET(realIndex, dict); } /* #define ALPHA_DICT_OFFSET(i) ntohl(offset[ntohl(resort[i])]) */ /* #define INDEX_DICT_OFFSET(i) ntohl(offset[i]) */ #define LEN_BITS 4 #define INDEX_BITS 2 #define INDEX_LEN_BITS 1 #define LEN_SHIFT 0 #define INDEX_SHIFT (LEN_SHIFT+LEN_BITS) #define INDEX_LEN_SHIFT (INDEX_SHIFT+INDEX_BITS) #define BITMASK(bits) ((1<<(bits))-1) #define GETVAL(tag,typ) (((tag)>>typ##_SHIFT)&BITMASK(typ##_BITS)) #define MIN_SHORTLEN 6 #define MAX_SHORTLEN (BITMASK(LEN_BITS)+MIN_SHORTLEN-1) #define MIN_LONGLEN (MAX_SHORTLEN+1) #define MAX_LONGLEN (MIN_LONGLEN+255) #define SHORTLEN_DECR (MIN_SHORTLEN-1) /* !! zero is used as flag for long len !! */ #define LONGLEN_DECR MIN_LONGLEN #define MIN_COMPR_WORD_LEN MIN_SHORTLEN #define MAX_COMPR_WORD_LEN MAX_LONGLEN #define MAX_SHORT_INDEX BITMASK(INDEX_BITS+8) #define MAX_LONG_INDEX BITMASK(INDEX_BITS+16) #define LAST_COMPRESSED_BIT 64 #ifdef DEBUG # define DUMP_COMPRESSION_TEST 0 /* 0 = only compression ratio * 1 = + original/compressed/decompressed * 2 = + words used to compress/uncompress * 3 = + matching words in dictionary * 4 = + search of words in dictionary */ #else # define DUMP_COMPRESSION_TEST 0 #endif #ifdef DEBUG /* #define COUNT_CHUNKS */ #if defined(COUNT_CHUNKS) static long uncompressedBlocks[64]; static long compressedBlocks[MAX_LONGLEN]; static void clearChunkCounters(void) { int i; for (i=0; i<64; i++) uncompressedBlocks[i] = 0; for (i=0; i=2 static cu_str dict_word(GB_DICTIONARY *dict, int idx, int len) { /* GB_NINT *offset = dict->offsets; */ return lstr(dict->text+INDEX_DICT_OFFSET(idx, dict), len); } #endif #if DUMP_COMPRESSION_TEST>=1 static void dumpBinary(u_str data, long size) { #define PER_LINE 12 int cnt = 0; while (size--) { unsigned_char c = *data++; int bitval = 128; int bits = 8; while (bits--) { putchar(c&bitval?'1':'0'); bitval>>=1; } putchar(' '); cnt = (cnt+1)%PER_LINE; if (!cnt) putchar('\n'); } if (cnt) putchar('\n'); } #endif #endif static GB_INLINE int GB_MEMCMP(const void *vm1, const void *vm2, long size) { char *c1 = (char*)vm1, *c2 = (char*)vm2; int diff = 0; while (size-- && !diff) diff = *c1++-*c2++; return diff; } /* -------------------------------------------------- */ static int searchWord(GB_DICTIONARY *dict, cu_str source, long size, unsigned long *wordIndex, int *wordLen) { int idx = -1; int l = 0; int h = dict->words-1; cu_str text = dict->text; /* GB_NINT *offset = dict->offsets; */ GB_NINT *resort = dict->resort; int dsize = dict->textlen; int ilen = 0; while (l=4 printf(" %s (%i)\n", lstr(dictword,20), m); #endif if (GB_MEMCMP(source, dictword, msize)<=0) h = m; else l = m; } while (l<=h) { int off = ALPHA_DICT_OFFSET(l, dict); cu_str word = text+off; int msize = (int)min(size, dsize-off); int equal = 0; cu_str s = source; while (msize-- && *s++==*word++) equal++; #if DUMP_COMPRESSION_TEST>=3 if (equal>=MIN_COMPR_WORD_LEN) { printf(" EQUAL=%i '%s' (%i->%i, off=%i)", equal, lstr(text+off,equal), l, ntohl(resort[l]), ALPHA_DICT_OFFSET(l, dict)); printf(" (context=%s)\n", lstr(text+off-min(off,20),min(off,20)+equal+20)); } #endif if (equal>ilen) { ilen = equal; idx = ntohl(resort[l]); ad_assert(idxwords); } l++; } *wordIndex = idx; *wordLen = (int)min(ilen,MAX_COMPR_WORD_LEN); return idx!=-1 && ilen>=MIN_COMPR_WORD_LEN; } #ifdef DEBUG int look(GB_DICTIONARY *dict, GB_CSTR source) { unsigned long wordIndex; int wordLen; int wordFound = searchWord(dict, (cu_str)source, strlen(source), &wordIndex, &wordLen); if (wordFound) { printf("'%s' (idx=%lu, off=%i)\n", lstr(dict->text+ntohl(dict->offsets[wordIndex]), wordLen), wordIndex, ntohl(dict->offsets[wordIndex])); } return wordFound; } #endif static char *gb_uncompress_by_dictionary_internal(GB_DICTIONARY *dict, /*GBDATA *gbd, */GB_CSTR s_source, const long size, GB_BOOL append_zero, long *new_size) { cu_str source = (cu_str)s_source; u_str dest; u_str buffer; cu_str text = dict->text; /* GB_NINT *offset = dict->offsets; */ int done = 0; long left = size; dest = buffer = (u_str)GB_give_other_buffer(s_source,size+2); while (left && !done) { int c; if ((c=*source++)&128) /* compressed data */ { int indexLen = GETVAL(c,INDEX_LEN); unsigned long idx = GETVAL(c,INDEX); c = GETVAL(c,LEN); /* ==wordLen */ if (c) c += SHORTLEN_DECR; else c = *source+++LONGLEN_DECR; ad_assert(indexLen>=0 && indexLen<=1); if (indexLen==0) { idx = (idx <<8) | *source++; } else { idx = (((idx << 8) | source[1]) << 8) | source[0]; source += 2; } ad_assert(idx<(GB_ULONG)dict->words); { cu_str word = text+INDEX_DICT_OFFSET(idx, dict); #if DUMP_COMPRESSION_TEST>=2 printf(" word='%s' (idx=%lu, off=%li, len=%i)\n", lstr(word, c), idx, (long)ntohl(dict->offsets[idx]), c); #endif { u_str d = dest; ad_assert(((d + c) <= word) || (d >= (word + c))); while (c--) *d++ = *word++; dest = d; } } } else { /* uncompressed bytes */ if (c & LAST_COMPRESSED_BIT) { done = 1; c ^= LAST_COMPRESSED_BIT; } left -= c; { u_str d = dest; ad_assert(((d + c) <= source) || (d >= (source + c))); while (c--) *d++ = *source++; dest=d; } } } if (append_zero == GB_TRUE) *dest++ = 0; *new_size = dest-buffer; ad_assert(size >= *new_size); // buffer overflow return (char *)buffer; } char *gb_uncompress_by_dictionary(GBDATA *gbd, GB_CSTR s_source, long size, long *new_size) { GB_DICTIONARY *dict = gb_get_dictionary(GB_MAIN(gbd), GB_KEY_QUARK(gbd)); GB_BOOL append_zero = GB_TYPE(gbd)==GB_STRING || GB_TYPE(gbd) == GB_LINK; if (!dict) { GB_ERROR error = GBS_global_string("Cannot decompress db-entry '%s' (no dictionary found)\n", GB_get_db_path(gbd)); GB_export_error(error); return 0; } return gb_uncompress_by_dictionary_internal(dict, s_source, size, append_zero, new_size); } char *gb_compress_by_dictionary(GB_DICTIONARY *dict, GB_CSTR s_source, long size, long *msize, int last_flag, int search_backward, int search_forward) { cu_str source = (cu_str)s_source; u_str dest; u_str buffer; cu_str unknown = source; /* start of uncompressable bytes */ u_str lastUncompressed = NULL; /* ptr to start of last block of uncompressable bytes (in dest) */ #if defined(ASSERTION_USED) const long org_size = size; #endif /* ASSERTION_USED */ ad_assert(size>0); /* compression of zero-length data fails! */ dest = buffer = (u_str)GB_give_other_buffer((GB_CSTR)source, 1+(size/63+1)+size); *dest++ = GB_COMPRESSION_DICTIONARY | last_flag; while (size) { unsigned long wordIndex; int wordLen; int wordFound; if ( (wordFound = searchWord(dict, source, size, &wordIndex, &wordLen)) ) { int length; takeRest: length = source-unknown; if (length) { int shift; int takeShift = 0; int maxShift = (int)min(search_forward, wordLen-1); for (shift=1; shift<=maxShift; shift++) { unsigned long wordIndex2; int wordLen2; int wordFound2; if ( (wordFound2 = searchWord(dict, source+shift, size-shift, &wordIndex2, &wordLen2))) { if (wordLen2>(wordLen+shift)) { wordIndex = wordIndex2; wordLen = wordLen2; takeShift = shift; } } } if (takeShift) { source += takeShift; size -= takeShift; length = source-unknown; } } while (length) { /* if there were uncompressable bytes */ int take = (int)min(length,63); #ifdef COUNT_CHUNKS uncompressedBlocks[take]++; #endif lastUncompressed = dest; *dest++ = take; /* tag byte */ memcpy(dest, unknown, take); dest += take; unknown += take; length -= take; } ad_assert(unknown==source); while (wordFound) { /* as long as we find words in dictionary */ int indexLen = wordIndex>MAX_SHORT_INDEX; int indexHighBits = indexLen==0 ? wordIndex>>8 : wordIndex>>16; int nextWordFound; int nextWordLen; unsigned long nextWordIndex; ad_assert((long)wordIndexwords); ad_assert((long)wordIndex <= MAX_LONG_INDEX); ad_assert(indexHighBits==(indexHighBits & BITMASK(INDEX_BITS))); ad_assert(wordLen>=MIN_SHORTLEN); lastUncompressed = NULL; { cu_str source2 = source+wordLen; long size2 = size-wordLen; if (!(nextWordFound=searchWord(dict, source+wordLen, size-wordLen, &nextWordIndex, &nextWordLen))) { /* no word right afterwards */ int shift; for (shift=1; shift<=search_backward && shift<(wordLen-MIN_COMPR_WORD_LEN); shift++) { /* try to cut end of word to get a better result */ unsigned long wordIndex2; int wordLen2; int wordFound2; if ( (wordFound2=searchWord(dict, source2-shift, size2+shift, &wordIndex2, &wordLen2))) { if (wordLen2>(shift+1)) { wordLen -= shift; nextWordFound = 1; nextWordIndex = wordIndex2; nextWordLen = wordLen2; break; } } } } } #ifdef COUNT_CHUNKS compressedBlocks[wordLen]++; #endif #if DUMP_COMPRESSION_TEST>=2 printf(" word='%s' (idx=%li, off=%i, len=%i)\n", dict_word(dict, wordIndex, wordLen), wordIndex, (int)ntohl(dict->offsets[wordIndex]), wordLen); #endif if (wordLen<=MAX_SHORTLEN) { *dest++ = 128 | (indexLen << INDEX_LEN_SHIFT) | (indexHighBits << INDEX_SHIFT) | ((wordLen-SHORTLEN_DECR) << LEN_SHIFT); } else { *dest++ = 128 | (indexLen << INDEX_LEN_SHIFT) | (indexHighBits << INDEX_SHIFT); *dest++ = wordLen-LONGLEN_DECR; /* extra length byte */ } *dest++ = (char)wordIndex; /* low index byte */ if (indexLen) *dest++ = (char)(wordIndex >> 8); /* high index byte */ unknown = source += wordLen; size -= wordLen; wordFound = nextWordFound; wordIndex = nextWordIndex; wordLen = nextWordLen; } } else { source++; if (--size==0) goto takeRest; } } if (lastUncompressed) *lastUncompressed |= LAST_COMPRESSED_BIT; else *dest++ = LAST_COMPRESSED_BIT; *msize = dest-buffer; #if defined(ASSERTION_USED) { long new_size = -1; char *test = gb_uncompress_by_dictionary_internal(dict, (GB_CSTR)buffer+1, org_size + GB_COMPRESSION_TAGS_SIZE_MAX, GB_TRUE, &new_size); ad_assert(memcmp(test, s_source, org_size) == 0); ad_assert((org_size+1) == new_size); } #endif /* ASSERTION_USED */ return (char*)buffer; } #if defined(TEST_DICT) static void test_dictionary(GB_DICTIONARY *dict, O_gbdByKey *gbk, long *uncompSum, long *compSum) { int cnt; long uncompressed_sum = 0; long compressed_sum = 0; long dict_size = (dict->words*2+1)*sizeof(GB_NINT)+dict->textlen; int i; long char_count[256]; for (i=0; i<256; i++) char_count[i] = 0; printf(" * Testing compression..\n"); #ifdef COUNT_CHUNKS clearChunkCounters(); #endif for (cnt=0; cntcnt; cnt++) { GBDATA *gbd = gbk->gbds[cnt]; int type = GB_TYPE(gbd); if (COMPRESSABLE(type)) { long size; cu_str data = get_data_n_size(gbd, &size); u_str copy; long compressedSize; int last_flag = 0; u_str compressed; u_str uncompressed; if (type==GB_STRING || type == GB_LINK) size--; if (size<1) continue; #ifndef NDEBUG copy = (u_str)gbm_get_mem(size, GBM_DICT_INDEX); ad_assert(copy!=0); memcpy(copy, data, size); #endif #if DUMP_COMPRESSION_TEST>=1 printf("----------------------------\n"); printf("original : %3li b = '%s'\n", size, data); #endif compressed = (u_str)gb_compress_by_dictionary(dict, (GB_CSTR)data, size, &compressedSize, last_flag, 9999, 2); #if DUMP_COMPRESSION_TEST>=1 printf("compressed : %3li b = '%s'\n", compressedSize, lstr(compressed,compressedSize)); dumpBinary(compressed, compressedSize); #endif for (i=0; i=1 printf("copy : %3li b = '%s'\n", size, lstr(copy,size)); printf("decompressed: %3li b = '%s'\n", size, lstr(uncompressed,size)); #endif if (GB_MEMCMP(copy, uncompressed, size)!=0) { int byte = 0; while (copy[byte]==uncompressed[byte]) byte++; printf("Error in compression (off=%i, '%s'", byte, lstr(copy+byte,10)); printf("!='%s'\n", lstr(uncompressed+byte,10)); } if (compressedSize=len2) { if (*s1==c) { if (strncmp(s1,s2,len2)==0) return s1; } s1++; } return NULL; } # endif #ifdef DUMP_TREE static void dump_dtree(int deep, GB_DICT_TREE tree) { static unsigned_char buffer[1024]; if (tree.full) { switch (tree.full->typ) { case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) { buffer[deep] = idx; buffer[deep+1] = 0; if (tree.full->son[idx].exists) dump_dtree(deep+1, tree.full->son[idx]); else if (tree.full->count[idx]>0) printf(" '%s' (%i) [array]\n", buffer, tree.full->count[idx]); } break; } case SINGLE_NODE: { buffer[deep] = tree.single->ch; buffer[deep+1] = 0; if (tree.single->son.exists) dump_dtree(deep+1, tree.single->son); else printf(" '%s' (%i) [single]\n", buffer, tree.single->count); if (tree.single->brother.exists) dump_dtree(deep, tree.single->brother); break; } } } } #endif #else #ifdef DUMP_TREE # define dump_dtree(deep,tree) #endif #endif #ifdef TEST static int testCounts(GB_DICT_TREE tree) /* * tests if all inner nodes have correct 'count's */ { int cnt = 0; if (tree.exists) { switch (tree.full->typ) { case SINGLE_NODE: { while (tree.exists) { if (tree.single->son.exists) { int son_cnt = testCounts(tree.single->son); #ifdef COUNT_EQUAL ad_assert(son_cnt==tree.single->count); #else ad_assert(son_cnt<=tree.single->count); #endif } ad_assert(tree.single->count>0); cnt += tree.single->count; tree = tree.single->brother; } break; } case FULL_NODE: { int idx, sons = 0; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) { int son_cnt = testCounts(tree.full->son[idx]); #ifdef COUNT_EQUAL ad_assert(son_cnt==tree.full->count[idx]); #else ad_assert(son_cnt<=tree.full->count[idx]); #endif if (tree.full->usedSons) ad_assert(tree.full->count[idx]>0); else ad_assert(tree.full->count[idx]==0); sons++; } else if (tree.full->count[idx]) { sons++; } cnt += tree.full->count[idx]; } ad_assert(sons==tree.full->usedSons); break; } } } return cnt; } /* #define TEST_MAX_OCCUR_COUNT */ #ifdef TEST_MAX_OCCUR_COUNT #define MAX_OCCUR_COUNT 600000 #endif static GB_DICT_TREE test_dtree(GB_DICT_TREE tree) /* only correct while tree is under contruction (build_dict_tree()) */ { if (tree.exists) { switch (tree.full->typ) { case SINGLE_NODE: { #if defined(TEST_MAX_OCCUR_COUNT) ad_assert(tree.single->countson.exists) { ad_assert(tree.single->count==0); test_dtree(tree.single->son); } else { ad_assert(tree.single->count>0); } if (tree.single->brother.exists) test_dtree(tree.single->brother); break; } case FULL_NODE: { int idx; int countSons = 0; for (idx=0; idx<256; idx++) { #if defined(TEST_MAX_OCCUR_COUNT) ad_assert(tree.full->count[idx]son[idx].exists) { ad_assert(tree.full->count[idx]==0); test_dtree(tree.full->son[idx]); countSons++; } else { ad_assert(tree.full->count[idx]>=0); if (tree.full->count[idx]>0) countSons++; } } ad_assert(countSons==tree.full->usedSons); break; } } } return tree; } #else # define test_dtree(tree) /* (tree) */ # define testCounts(tree) /* 0 */ #endif static GB_DICT_TREE new_dtree(cu_str text, long len, long *memcount) /* creates a new (sub-)tree from 'text' (which has length 'len') */ { GB_DICT_TREE tree; if (len) { GB_SINGLE_DICT_TREE *tail = NULL, *head = NULL; while (len) { if (tail) tail = tail->son.single = (GB_SINGLE_DICT_TREE*)gbm_get_mem(sizeof(*tail),GBM_DICT_INDEX); else tail = head = (GB_SINGLE_DICT_TREE*)gbm_get_mem(sizeof(*tail),GBM_DICT_INDEX); (*memcount) += sizeof(*tail); tail->typ = SINGLE_NODE; tail->ch = *text++; len--; tail->brother.single = NULL; tail->son.single = NULL; } tail->count = 1; tree.single = head; } else { tree.single = NULL; } return tree; } GB_DICT_TREE single2full_dtree(GB_DICT_TREE tree, long *memcount) { if (tree.exists && tree.single->typ==SINGLE_NODE) { GB_FULL_DICT_TREE *full = (GB_FULL_DICT_TREE*)gbm_get_mem(sizeof(*full), GBM_DICT_INDEX); int idx; (*memcount) += sizeof(*full); full->typ = FULL_NODE; full->usedSons = 0; for (idx=0; idx<256; idx++) { full->son[idx].exists = NULL; full->count[idx] = 0; } while (tree.exists) { GB_SINGLE_DICT_TREE *t = tree.single; ad_assert(t->typ==SINGLE_NODE); ad_assert(full->son[t->ch].exists==NULL); full->son[t->ch] = t->son; full->count[t->ch] = t->count; full->usedSons++; tree.single = t->brother.single; gbm_free_mem((char*)t, sizeof(*t), GBM_DICT_INDEX); (*memcount) -= sizeof(*t); } tree.full = full; } return tree; } static void free_dtree(GB_DICT_TREE tree) { if (tree.exists) { switch(tree.full->typ) { case SINGLE_NODE: { if (tree.single->son.exists) free_dtree(tree.single->son); if (tree.single->brother.exists) free_dtree(tree.single->brother); gbm_free_mem((char*)tree.single, sizeof(*(tree.single)), GBM_DICT_INDEX); break; } case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) if (tree.full->son[idx].exists) free_dtree(tree.full->son[idx]); gbm_free_mem((char*)tree.full, sizeof(*(tree.full)), GBM_DICT_INDEX); break; } } } } static GB_DICT_TREE cut_dtree(GB_DICT_TREE tree, int cut_count, long *memcount, long *leafcount) /* removes all branches from 'tree' which are referenced less/equal than cut_count * returns: the reduced tree */ { if (tree.exists) { switch (tree.full->typ) { case SINGLE_NODE: { if (tree.single->son.exists) tree.single->son = cut_dtree(tree.single->son, cut_count, memcount, leafcount); if (!tree.single->son.exists) { /* leaf */ if (tree.single->count<=cut_count) { /* leaf with less/equal references */ GB_DICT_TREE brother = tree.single->brother; gbm_free_mem((char*)tree.single, sizeof(*tree.single), GBM_DICT_INDEX); (*memcount) -= sizeof(*tree.single); if (brother.exists) return cut_dtree(brother, cut_count, memcount, leafcount); tree.single = NULL; break; } else { (*leafcount)++; } } if (tree.single->brother.exists) tree.single->brother = cut_dtree(tree.single->brother, cut_count, memcount, leafcount); break; } case FULL_NODE: { int idx; int count = 0; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) { tree.full->son[idx] = cut_dtree(tree.full->son[idx], cut_count, memcount, leafcount); if (tree.full->son[idx].exists) count++; else tree.full->count[idx] = 0; } else if (tree.full->count[idx]>0) { if (tree.full->count[idx]<=cut_count) { tree.full->count[idx] = 0; } else { count++; (*leafcount)++; } } } tree.full->usedSons = count; if (!count) { /* no more sons */ gbm_free_mem((char*)tree.full, sizeof(*(tree.full)), GBM_DICT_INDEX); (*memcount) -= sizeof(*(tree.full)); tree.exists = NULL; } break; } } } return tree; } static GB_DICT_TREE cut_useless_words(GB_DICT_TREE tree, int deep, long *removed) /* removes/shortens all branches of 'tree' which are not useful for compression * 'deep' should be zero (incremented by cut_useless_words) * 'removed' will be set to the # of removed occurrences * returns: the reduced tree */ { *removed = 0; if (tree.exists) { deep++; switch (tree.full->typ) { long removed_single; case SINGLE_NODE: { if (tree.single->son.exists) { tree.single->son = cut_useless_words(tree.single->son, deep, &removed_single); tree.single->count -= removed_single; *removed += removed_single; } if (!tree.single->son.exists && !WORD_HELPFUL(deep,tree.single->count)) { GB_DICT_TREE brother = tree.single->brother; *removed += tree.single->count; gbm_free_mem((char*)tree.single, sizeof(*tree.single), GBM_DICT_INDEX); if (brother.exists) { tree = cut_useless_words(brother, deep-1, &removed_single); *removed += removed_single; } else { tree.exists = NULL; } break; } if (tree.single->brother.exists) { tree.single->brother = cut_useless_words(tree.single->brother, deep-1, &removed_single); *removed += removed_single; } break; } case FULL_NODE: { int idx; int count = 0; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) { tree.full->son[idx] = cut_useless_words(tree.full->son[idx], deep, &removed_single); tree.full->count[idx] -= removed_single; *removed += removed_single; } if (tree.full->son[idx].exists) { count++; } else if (tree.full->count[idx]) { if (!WORD_HELPFUL(deep, tree.full->count[idx])) { /* useless! */ *removed += tree.full->count[idx]; tree.full->count[idx] = 0; } else { count++; } } } tree.full->usedSons = count; if (!count) { /* no more sons */ gbm_free_mem((char*)tree.full, sizeof(*(tree.full)), GBM_DICT_INDEX); tree.exists = NULL; } break; } } } return tree; } static GB_DICT_TREE add_dtree_to_dtree(GB_DICT_TREE toAdd, GB_DICT_TREE to, long *memcount) /* adds 'toAdd' as brother of 'to' (must be leftmost of all SINGLE_NODEs or a FULL_NODE) * returns: the leftmost of all SINGLE_NODEs or a FULL_NODE */ { GB_DICT_TREE tree = toAdd; ad_assert(toAdd.single->typ==SINGLE_NODE); if (to.exists) { switch (to.full->typ) { case SINGLE_NODE: { GB_SINGLE_DICT_TREE *left = to.single; ad_assert(left!=0); if (toAdd.single->ch < to.single->ch) { toAdd.single->brother = to; return toAdd; } while (to.single->brother.exists) { if (toAdd.single->ch < to.single->brother.single->ch) { toAdd.single->brother = to.single->brother; to.single->brother = toAdd; tree.single = left; return tree; } to = to.single->brother; } to.single->brother = toAdd; tree.single = left; break; } case FULL_NODE: { unsigned_char ch = toAdd.single->ch; ad_assert(to.full->son[ch].exists==NULL); ad_assert(to.full->count[ch]==0); /* if this fails, count must be added & tested */ ad_assert(toAdd.single->brother.exists==NULL); to.full->son[ch] = toAdd.single->son; to.full->count[ch] = toAdd.single->count; to.full->usedSons++; tree = to; gbm_free_mem((char*)toAdd.single, sizeof(*(toAdd.single)), GBM_DICT_INDEX); (*memcount) -= sizeof(toAdd.single); break; } } } return tree; } static GB_DICT_TREE add_to_dtree(GB_DICT_TREE tree, cu_str text, long len, long *memcount) /* adds the string 'text' (which has length 'len') to 'tree' * returns: new tree */ { if (tree.exists) { switch (tree.full->typ) { case SINGLE_NODE: { GB_SINGLE_DICT_TREE *t = tree.single; int count = 0; do { count++; if (t->ch==text[0]) { /* we found an existing subtree */ if (len>1) { t->son = add_to_dtree(t->son, text+1, len-1, memcount); /* add rest of text to subtree */ } else { ad_assert(len==1); ad_assert(t->son.exists==NULL); t->count++; } return count>MAX_BROTHERS ? single2full_dtree(tree, memcount) : tree; } else if (t->ch > text[0]) { break; } } while ((t=t->brother.single)!=NULL); tree = add_dtree_to_dtree(new_dtree(text,len,memcount), /* otherwise we create a new subtree */ count>MAX_BROTHERS ? single2full_dtree(tree, memcount) : tree, memcount); break; } case FULL_NODE: { unsigned_char ch = text[0]; if (tree.full->son[ch].exists) { tree.full->son[ch] = add_to_dtree(tree.full->son[ch], text+1, len-1, memcount); } else { tree.full->son[ch] = new_dtree(text+1, len-1, memcount); if (!tree.full->son[ch].exists) { if (tree.full->count[ch]==0) tree.full->usedSons++; tree.full->count[ch]++; } else { tree.full->usedSons++; } } break; } } return tree; } return new_dtree(text,len,memcount); } static long calcCounts(GB_DICT_TREE tree) { long cnt = 0; ad_assert(tree.exists!=0); switch (tree.full->typ) { case SINGLE_NODE: { while (tree.exists) { if (tree.single->son.exists) tree.single->count = calcCounts(tree.single->son); ad_assert(tree.single->count>0); cnt += tree.single->count; tree = tree.single->brother; } break; } case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) { tree.full->count[idx] = calcCounts(tree.full->son[idx]); ad_assert(tree.full->count[idx]>0); } else { ad_assert(tree.full->count[idx]>=0); } cnt += tree.full->count[idx]; } break; } } return cnt; } static int count_dtree_leafs(GB_DICT_TREE tree, int deep, int *maxdeep) { /* returns # of leafs and max. depth of tree */ int leafs = 0; ad_assert(tree.exists!=0); if (++deep>*maxdeep) *maxdeep = deep; switch(tree.full->typ) { case SINGLE_NODE: { if (tree.single->son.exists) leafs += count_dtree_leafs(tree.single->son, deep, maxdeep); else leafs++; if (tree.single->brother.exists) leafs += count_dtree_leafs(tree.single->brother, deep, maxdeep); break; } case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) leafs += count_dtree_leafs(tree.full->son[idx], deep, maxdeep); else if (tree.full->count[idx]) leafs++; } break; } } return leafs; } static int COUNT(GB_DICT_TREE tree) { /* counts sum of # of occurencies of tree */ int cnt = 0; switch(tree.single->typ) { case SINGLE_NODE: { while (tree.exists) { cnt += tree.single->count; tree = tree.single->brother; } break; } case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) cnt += tree.full->count[idx]; break; } } return cnt; } static GB_DICT_TREE removeSubsequentString(GB_DICT_TREE *tree_pntr, cu_str buffer, int len, int max_occur) { /* * searches tree for 'buffer' (length='len') * * returns - rest below found string * (if found and if the # of occurrences of the string is less/equal than 'max_occur') * - NULL otherwise * * removes the whole found string from the tree (not only the rest!) */ GB_DICT_TREE tree = *tree_pntr, rest; static int restCount; rest.exists = NULL; ad_assert(tree.exists!=0); ad_assert(len>0); switch (tree.full->typ) { case SINGLE_NODE: { while (tree.single->ch <= buffer[0]) { if (tree.single->ch == buffer[0]) { /* found wanted character */ if (tree.single->son.exists) { if (len==1) { if (tree.single->count <= max_occur) { rest = tree.single->son; restCount = COUNT(rest); tree.single->son.exists = NULL; } } else { rest = removeSubsequentString(&tree.single->son, buffer+1, len-1, max_occur); } } if (rest.exists) { /* the string was found */ tree.single->count -= restCount; ad_assert(tree.single->count >= 0); if (!tree.single->count) { /* empty subtree -> delete myself */ GB_DICT_TREE brother = tree.single->brother; tree.single->brother.exists = NULL; /* elsewise it would be free'ed by free_dtree */ free_dtree(tree); *tree_pntr = tree = brother; } } break; } tree_pntr = &(tree.single->brother); if (!(tree = tree.single->brother).exists) break; } break; } case FULL_NODE: { unsigned_char ch; if (tree.full->son[ch=buffer[0]].exists) { if (len==1) { if (tree.full->count[ch] <= max_occur) { rest = tree.full->son[ch]; restCount = COUNT(rest); tree.full->son[ch].exists = NULL; } } else { rest = removeSubsequentString(&tree.full->son[ch], buffer+1, len-1, max_occur); } if (rest.exists) { ad_assert(restCount>0); tree.full->count[ch] -= restCount; ad_assert(tree.full->count[ch]>=0); if (tree.full->count[ch]==0) { ad_assert(tree.full->son[ch].exists==NULL); if (--tree.full->usedSons==0) { /* last son deleted -> delete myself */ free_dtree(tree); tree.exists = NULL; *tree_pntr = tree; } } } } break; } } return rest; } static cu_str memstr(cu_str stringStart, int stringStartLen, cu_str inString, int inStringLen) { if (!inStringLen) return stringStart; /* string of length zero is found everywhere */ while (stringStartLen) { cu_str found = (cu_str)memchr(stringStart, inString[0], stringStartLen); if (!found) break; stringStartLen -= found-stringStart; stringStart = found; if (stringStartLentyp) { case SINGLE_NODE: { while (tree.exists) { buffer[deep] = tree.single->ch; if (!tree.single->son.exists) { GB_DICT_TREE rest; u_str buf = buffer+1; int len = deep; if (len>minwordlen) { /* do not search more than MIN_WORD_LEN-1 chars */ buf += len-minwordlen; len = minwordlen; } if (len==minwordlen) { cu_str self = memstr(buffer, deep+1, buf, len); ad_assert(self!=0); if (self==buf) rest = removeSubsequentString(&root, buf, len, ((100+max_percent)*tree.single->count)/100); else rest.exists = NULL; } else { rest.exists = NULL; } if (rest.exists) { int cnt = COUNT(rest); tree.single->son = rest; tree.single->count += cnt; expand += cnt; #ifdef DUMP_EXPAND #define DUMP_MORE 1 printf("expanding '%s'", lstr(buffer, deep+1+DUMP_MORE)); printf(" (searching for '%s') -> found %i nodes\n", lstr(buf, len+DUMP_MORE), cnt); #endif } } if (tree.single->son.exists) { int added = expandBranches(buffer, deep+1, minwordlen, maxdeep, tree.single->son, root, max_percent); expand += added; tree.single->count += added; } tree = tree.single->brother; } break; } case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) { buffer[deep] = idx; if (!tree.full->son[idx].exists && tree.full->count[idx]) /* leaf */ { GB_DICT_TREE rest; u_str buf = buffer+1; int len = deep; if (len>minwordlen) { /* do not search more than MIN_WORD_LEN-1 chars */ buf += len-minwordlen; len = minwordlen; } if (len==minwordlen) { cu_str self = memstr(buffer, deep+1, buf, len); ad_assert(self!=0); if (self==buf) rest = removeSubsequentString(&root, buf, len, ((100+max_percent)*tree.full->count[idx])/100); else rest.exists = NULL; } else { rest.exists = NULL; } if (rest.exists) { /* substring found! */ int cnt = COUNT(rest); if (tree.full->count[idx]==0) tree.full->usedSons++; tree.full->son[idx] = rest; tree.full->count[idx] += cnt; expand += cnt; #ifdef DUMP_EXPAND printf("expanding '%s'", lstr(buffer, deep+1+DUMP_MORE)); printf(" (searching for '%s') -> found %i nodes\n", lstr(buf, len+DUMP_MORE), cnt); #endif } } if (tree.full->son[idx].exists) { int added = expandBranches(buffer, deep+1, minwordlen, maxdeep, tree.full->son[idx], root, max_percent); expand += added; tree.full->count[idx] += added; } } break; } } } return expand; } static GB_DICT_TREE build_dict_tree(O_gbdByKey *gbk, long maxmem, long maxdeep, long minwordlen, long *data_sum) /* builds a tree of the most used words * * 'maxmem' is the amount of memory that will be allocated * 'maxdeep' is the maximum length of the _returned_ words * 'minwordlen' is the minimum length a word needs to get into the tree * this is used in the first pass as maximum tree depth * 'data_sum' will be set to the overall-size of data of which the tree was built */ { GB_DICT_TREE tree; long memcount = 0; long leafs = 0; *data_sum = 0; { int cnt; long lowmem = (maxmem*9)/10; int cut_count = 1; /* Build 8-level-deep tree of all existing words */ tree.exists = NULL; /* empty tree */ for (cnt=0; cntcnt; cnt++) { GBDATA *gbd = gbk->gbds[cnt]; int type = GB_TYPE(gbd); if (COMPRESSABLE(type)) { long size; cu_str data = get_data_n_size(gbd, &size); cu_str lastWord; if (type==GB_STRING || type == GB_LINK) size--; if (sizemaxmem) { leafs = 0; tree = cut_dtree(tree, cut_count, &memcount, &leafs); if (memcount<=lowmem) break; cut_count++; } } } } } } /*test_dtree(tree); */ { int cutoff = 1; leafs = 0; tree = cut_dtree(tree, cutoff, &memcount, &leafs); /* cut all single elements */ test_dtree(tree); #if defined(DEBUG) if (tree.exists) { int maxdeep2 = 0; long counted = count_dtree_leafs(tree, 0, &maxdeep2); ad_assert(leafs == counted); } #endif // DEBUG /* avoid directory overflow (max. 18bit) */ while (leafs >= MAX_LONG_INDEX) { leafs = 0; ++cutoff; #if defined(DEBUG) printf("Directory overflow (%li) -- reducing size (cutoff = %i)\n", leafs, cutoff); #endif // DEBUG tree = cut_dtree(tree, cutoff, &memcount, &leafs); } } #ifdef DUMP_TREE printf("----------------------- tree with short branches:\n"); dump_dtree(0,tree); printf("---------------------------\n"); #endif /* Try to create longer branches */ if (tree.exists) { int add_count; u_str buffer = (u_str)gbm_get_mem(maxdeep, GBM_DICT_INDEX); int max_differ; long dummy; if (tree.full->typ != FULL_NODE) tree = single2full_dtree(tree,&memcount); /* ensure root is FULL_NODE */ test_dtree(tree); calcCounts(tree); /* calculate counters of inner nodes */ testCounts(tree); for (max_differ=0; max_differ<=MAX_DIFFER; max_differ+=INCR_DIFFER) { /* percent of allowed difference for concatenating tree branches */ do { int idx; add_count = 0; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) { int added; buffer[0] = idx; added = expandBranches(buffer, 1, minwordlen-1, maxdeep, tree.full->son[idx], tree, max_differ); tree.full->count[idx] += added; add_count += added; } } } while (add_count); } gbm_free_mem((char*)buffer, maxdeep, GBM_DICT_INDEX); tree = cut_useless_words(tree,0,&dummy); } #ifdef DUMP_TREE printf("----------------------- tree with expanded branches:\n"); dump_dtree(0,tree); printf("-----------------------\n"); #endif testCounts(tree); return tree; } static GB_DICT_TREE remove_word_from_dtree(GB_DICT_TREE tree, cu_str wordStart, int wordLen, u_str resultBuffer, int *resultLen, long *resultFrequency, long *removed) { /* searches 'tree' for a word starting with 'wordStart' an removes it from the tree * if there are more than one possibilities, the returned word will be the one with the most occurrences * if there was no possibility -> resultLen==0, tree unchanged * otherwise: resultBuffer contains the word, returns new tree with word removed */ long removed_single = 0; ad_assert(tree.exists!=0); *removed = 0; if (wordLen) { /* search wanted path into tree */ switch(tree.full->typ) { case SINGLE_NODE: { if (tree.single->ch==*wordStart) { *resultBuffer = *wordStart; if (tree.single->son.exists) { ad_assert(tree.single->count>0); tree.single->son = remove_word_from_dtree(tree.single->son, wordStart+1, wordLen-1, resultBuffer+1, resultLen, resultFrequency, &removed_single); if (*resultLen) { /* word removed */ ad_assert(tree.single->count>=removed_single); tree.single->count -= removed_single; *removed += removed_single; (*resultLen)++; } } else { *resultLen = wordLen==1; /* if wordLen==1 -> fully overlapping word found */ *resultFrequency = tree.single->count; } if (!tree.single->son.exists && *resultLen) { /* if no son and a word was found -> remove branch */ GB_DICT_TREE brother = tree.single->brother; *removed += tree.single->count; gbm_free_mem((char*)tree.single, sizeof(*tree.single), GBM_DICT_INDEX); if (brother.exists) tree = brother; else tree.exists = NULL; } } else if (tree.single->ch < *wordStart && tree.single->brother.exists) { tree.single->brother = remove_word_from_dtree(tree.single->brother, wordStart, wordLen, resultBuffer, resultLen, resultFrequency, &removed_single); if (*resultLen) *removed += removed_single; } else { *resultLen = 0; /* not found */ } break; } case FULL_NODE: { unsigned_char ch = *wordStart; *resultBuffer = ch; if (tree.full->son[ch].exists) { tree.full->son[ch] = remove_word_from_dtree(tree.full->son[ch], wordStart+1, wordLen-1, resultBuffer+1, resultLen, resultFrequency, &removed_single); if (*resultLen) { if (tree.full->son[ch].exists) { /* another son? */ tree.full->count[ch] -= removed_single; } else { /* last son -> remove whole branch */ removed_single = tree.full->count[ch]; tree.full->count[ch] = 0; tree.full->usedSons--; } *removed += removed_single; (*resultLen)++; } } else if (tree.full->count[ch]) { *resultLen = (wordLen==1); if (*resultLen) { *removed += removed_single = *resultFrequency = tree.full->count[ch]; tree.full->count[ch] = 0; tree.full->usedSons--; } } else { *resultLen = 0; /* not found */ } if (!tree.full->usedSons) { free_dtree(tree); tree.exists = NULL; } break; } } } else { /* take any word */ switch(tree.full->typ) { case SINGLE_NODE: { *resultBuffer = tree.single->ch; ad_assert(tree.single->count>0); if (tree.single->son.exists) { tree.single->son = remove_word_from_dtree(tree.single->son, wordStart, wordLen, resultBuffer+1, resultLen, resultFrequency, &removed_single); ad_assert(*resultLen); (*resultLen)++; } else { *resultLen = 1; *resultFrequency = tree.single->count; removed_single = tree.single->count; } ad_assert(*resultFrequency>0); if (tree.single->son.exists) { ad_assert(tree.single->count>=removed_single); tree.single->count -= removed_single; *removed += removed_single; } else { GB_DICT_TREE brother = tree.single->brother; *removed += tree.single->count; gbm_free_mem((char*)tree.single, sizeof(*tree.single), GBM_DICT_INDEX); if (brother.exists) tree = brother; else tree.exists = NULL; } break; } case FULL_NODE: { int idx; for (idx=0; idx<256; idx++) { if (tree.full->son[idx].exists) { *resultBuffer = idx; tree.full->son[idx] = remove_word_from_dtree(tree.full->son[idx], wordStart, wordLen, resultBuffer+1, resultLen, resultFrequency, &removed_single); ad_assert(*resultLen); (*resultLen)++; if (!tree.full->son[idx].exists) { /* son branch removed -> zero count */ removed_single = tree.full->count[idx]; tree.full->count[idx] = 0; tree.full->usedSons--; } else { tree.full->count[idx] -= removed_single; ad_assert(tree.full->count[idx]>0); } break; } else if (tree.full->count[idx]) { *resultBuffer = idx; *resultLen = 1; *resultFrequency = tree.full->count[idx]; removed_single = tree.full->count[idx]; tree.full->count[idx] = 0; tree.full->usedSons--; break; } } ad_assert(idx<256); /* ad_assert break was used to exit loop (== node had a son) */ *removed += removed_single; if (!tree.full->usedSons) { free_dtree(tree); tree.exists = NULL; } break; } } } #ifdef DEBUG if (*resultLen) { ad_assert(*resultLen>0); ad_assert(*resultFrequency>0); ad_assert(*resultLen>=wordLen); } #endif return tree; } #if 0 # define TEST_SORTED static void dump_dictionary(GB_DICTIONARY *dict) { int idx; printf("dictionary\n" " words = %i\n" " textlen = %i\n", dict->words, dict->textlen); for (idx=0; idxwords; idx++) { u_str word = dict->text+ALPHA_DICT_OFFSET(idx, dict); /*dict->offsets[dict->resort[idx]];*/ /* @@@@ ntoh */ printf(" word%03i='%s' (%i)\n", idx, lstr(word,30), ntohl(dict->resort[idx])); } } #endif #define cmp(i1,i2) (heap2[i1]-heap2[i2]) #define swap(i1,i2) do \ { \ int s = heap[i1]; \ heap[i1] = heap[i2]; \ heap[i2] = s; \ \ s = heap2[i1]; \ heap2[i1] = heap2[i2]; \ heap2[i2] = s; \ } \ while (0) static void downheap(int *heap, int *heap2, int me, int num) { int lson = me*2; int rson = lson+1; ad_assert(me>=1); if (lson>num) return; if (cmp(lson,me)<0) { /* left son smaller than me? (we sort in descending order!!!) */ if (rson<=num && cmp(lson,rson)>0) { /* right son smaller than left son? */ swap(me, rson); downheap(heap, heap2, rson, num); } else { swap(me, lson); downheap(heap, heap2, lson, num); } } else if (rson<=num && cmp(me, rson)>0) { /* right son smaller than me? */ swap(me, rson); downheap(heap, heap2, rson, num); } } #undef cmp #undef swap #define cmp(i1,i2) GB_MEMCMP(dict->text+dict->offsets[heap[i1]], dict->text+dict->offsets[heap[i2]], dict->textlen) #define swap(i1,i2) do { int s = heap[i1]; heap[i1] = heap[i2]; heap[i2] = s; } while(0) static void downheap2(int *heap, GB_DICTIONARY *dict, int me, int num) { int lson = me*2; int rson = lson+1; ad_assert(me>=1); if (lson>num) return; if (cmp(lson,me)>0) { /* left son bigger than me? */ if (rson<=num && cmp(lson,rson)<0) { /* right son bigger than left son? */ swap(me, rson); downheap2(heap, dict, rson, num); } else { swap(me, lson); downheap2(heap, dict, lson, num); } } else if (rson<=num && cmp(me, rson)<0) { /* right son bigger than me? */ swap(me, rson); downheap2(heap, dict, rson, num); } } #undef cmp #undef swap static void sort_dict_offsets(GB_DICTIONARY *dict) { /* 1. sorts the 'dict->offsets' by frequency * (frequency of each offset is stored in the 'dict->resort' with the same index) * 2. initializes & sorts 'dict->resort' in alphabethical order */ int i; int num = dict->words; int *heap = dict->offsets-1; int *heap2 = dict->resort-1; /* sort offsets */ for (i=num/2; i>=1; i--) downheap(heap, heap2, i, num); /* make heap */ while (num>1) { /* sort heap */ int big = heap[1]; int big2 = heap2[1]; heap[1] = heap[num]; heap2[1] = heap2[num]; downheap(heap, heap2, 1, num-1); heap[num] = big; heap2[num] = big2; num--; } #ifdef TEST_SORTED for (i=2,num=dict->words; i<=num; i++) ad_assert(heap2[i-1]>=heap2[i]); /* test if sorted correctly */ #endif /* initialize dict->resort */ for (i=0, num=dict->words; iresort[i] = i; /* sort dictionary alphabetically */ for (i=num/2; i>=1; i--) downheap2(heap2, dict, i, num); /* make heap */ while (num>1) { int big = heap2[1]; heap2[1] = heap2[num]; downheap2(heap2, dict, 1, num-1); heap2[num] = big; num--; } #ifdef TEST_SORTED for (i=1,num=dict->words; itext+dict->offsets[dict->resort[i-1]]; u_str word2 = dict->text+dict->offsets[dict->resort[i]]; ad_assert(GB_MEMCMP(word1,word2,dict->textlen)<=0); } #endif } /* Warning dictionary is not in network byte order !!!! */ static GB_DICTIONARY *gb_create_dictionary(O_gbdByKey *gbk, long maxmem) { long data_sum; GB_DICT_TREE tree = build_dict_tree(gbk, maxmem, MAX_WORD_LEN, MIN_WORD_LEN, &data_sum); if (tree.exists) { GB_DICTIONARY *dict = (GB_DICTIONARY*)gbm_get_mem(sizeof(*dict), GBM_DICT_INDEX); int maxdeep = 0; int words = count_dtree_leafs(tree, 0, &maxdeep); u_str word; int wordLen; long wordFrequency; int offset = 0; /* next free position in dict->text */ int overlap = 0; /* # of bytes overlapping with last word */ u_str buffer; long dummy; long word_sum = 0; long overlap_sum = 0; long max_overlap = 0; /* reduce tree as long as it has to many leafs (>MAX_LONG_INDEX) */ while (words >= MAX_LONG_INDEX) { words = count_dtree_leafs(tree, 0, &maxdeep); } buffer = (u_str)gbm_get_mem(maxdeep, GBM_DICT_INDEX); calcCounts(tree); testCounts(tree); #if DEBUG printf(" examined data was %li bytes\n", data_sum); printf(" tree contains %i words *** maximum tree depth = %i\n", words, maxdeep); #endif dict->words = 0; dict->textlen = DICT_STRING_INCR; dict->text = (u_str)gbm_get_mem(DICT_STRING_INCR, GBM_DICT_INDEX); dict->offsets = (GB_NINT*)gbm_get_mem(sizeof(*(dict->offsets))*words, GBM_DICT_INDEX); dict->resort = (GB_NINT*)gbm_get_mem(sizeof(*(dict->resort))*words, GBM_DICT_INDEX); memset(buffer, '*', maxdeep); tree = remove_word_from_dtree(tree, NULL, 0, buffer, &wordLen, &wordFrequency, &dummy); testCounts(tree); while (1) { int nextWordLen = 0; int len; #if DUMP_COMPRESSION_TEST>=4 printf("word='%s' (occur=%li overlap=%i)\n", lstr(buffer, wordLen), wordFrequency, overlap); #endif overlap_sum += overlap; if (overlap>max_overlap) max_overlap = overlap; word_sum += wordLen; if (offset-overlap+wordLen > dict->textlen) { /* if not enough space allocated -> realloc dictionary string */ u_str ntext = (u_str)gbm_get_mem(dict->textlen+DICT_STRING_INCR, GBM_DICT_INDEX); memcpy(ntext, dict->text, dict->textlen); gbm_free_mem((char*)dict->text, dict->textlen, GBM_DICT_INDEX); dict->text = ntext; dict->textlen += DICT_STRING_INCR; } dict->offsets[dict->words] = offset-overlap; dict->resort[dict->words] = wordFrequency; /* temporarily miss-use this to store frequency */ dict->words++; word = dict->text+offset-overlap; ad_assert(overlap==0 || GB_MEMCMP(word,buffer,overlap)==0); /* test overlapping string-part */ memcpy(word, buffer, wordLen); /* word -> dictionary string */ offset += wordLen-overlap; if (!tree.exists) break; for (len=min(10,wordLen-1); len>=0 && nextWordLen==0; len--) { memset(buffer, '*', maxdeep); tree = remove_word_from_dtree(tree, word+wordLen-len, len, buffer, &nextWordLen, &wordFrequency, &dummy); overlap = len; } wordLen = nextWordLen; } ad_assert(dict->words <= MAX_LONG_INDEX); ad_assert(dict->words==words); /* dict->words == # of words stored in dictionary string * words == # of words pre-calculated */ #if DEBUG printf(" word_sum=%li overlap_sum=%li (%li%%) max_overlap=%li\n", word_sum, overlap_sum, (overlap_sum*100)/word_sum, max_overlap); #endif if (offsettextlen) { /* reallocate dict->text if it was allocated too large */ u_str ntext = (u_str)gbm_get_mem(offset, GBM_DICT_INDEX); memcpy(ntext, dict->text, offset); gbm_free_mem((char*)dict->text, dict->textlen, GBM_DICT_INDEX); dict->text = ntext; dict->textlen = offset; } sort_dict_offsets(dict); gbm_free_mem((char*)buffer, maxdeep, GBM_DICT_INDEX); free_dtree(tree); return dict; } return NULL; } static GB_ERROR readAndWrite(O_gbdByKey *gbkp) { int i; GB_ERROR error = 0; for (i=0; icnt && !error; i++) { GBDATA *gbd = gbkp->gbds[i]; int type = GB_TYPE(gbd); if (COMPRESSABLE(type)) { long size; char *data; { char *d = (char*)get_data_n_size(gbd, &size); data = gbm_get_mem(size, GBM_DICT_INDEX); memcpy(data, d, size); ad_assert(data[size-1] == 0); } switch(type) { case GB_STRING: error = GB_write_string(gbd, ""); if (!error) error = GB_write_string(gbd, data); break; case GB_LINK: error = GB_write_link(gbd, ""); if (!error) error = GB_write_link(gbd, data); break; case GB_BYTES: error = GB_write_bytes(gbd, 0, 0); if (!error) error = GB_write_bytes(gbd, data, size); break; case GB_INTS: error = GB_write_ints(gbd, (GB_UINT4 *)0, 0); if (!error) error = GB_write_ints(gbd, (GB_UINT4 *)data, size); break; case GB_FLOATS: error = GB_write_floats(gbd, (float*)0, 0); if (!error) error = GB_write_floats(gbd, (float*)data, size); break; default: ad_assert(0); break; } gbm_free_mem(data, size, GBM_DICT_INDEX); } } return error; } GB_ERROR gb_create_dictionaries(GB_MAIN_TYPE *Main, long maxmem) { GB_ERROR error = NULL; #if defined(TEST_DICT) long uncompressed_sum = 0; long compressed_sum = 0; #endif /* TEST_DICT */ /*error = GB_begin_transaction((GBDATA*)Main->data);*/ printf("Creating GBDATA-Arrays..\n"); if (!error) { O_gbdByKey *gbk = g_b_opti_createGbdByKey(Main); int idx; printf("Creating dictionaries..\n"); #ifdef DEBUG /* #define TEST_ONE */ /* test only key specified below */ /* #define TEST_SOME */ /* test only some keys specified below */ #if defined(TEST_ONE) /* select wanted index */ for (idx=0; idxkeys[idx].key, "tree")==0) break; } ad_assert(idx= 1 && !error; --idx) /* for (idx = 1; idxkeys[idx].key; int type; GBDATA *gb_main = (GBDATA*)Main->data; #ifdef TEST_SOME if (!( /* add all wanted keys here */ strcmp(key_name, "REF") == 0 || strcmp(key_name, "ref") == 0 )) continue; #endif /* TEST_SOME */ #ifndef TEST_ONE GB_status(idx/(double)gbdByKey_cnt); if (!gbk[idx].cnt) continue; /* there are no entries with this quark */ type = GB_TYPE(gbk[idx].gbds[0]); GB_begin_transaction(gb_main); compression_mask = gb_get_compression_mask(Main, idx, type); GB_commit_transaction(gb_main); if ((compression_mask & GB_COMPRESSION_DICTIONARY) == 0) continue; /* compression with dictionary is not allowed */ if (strcmp(key_name,"data") == 0) continue; if (strcmp(key_name,"quality") == 0) continue; #endif printf("- dictionary for '%s' (idx=%i)\n", key_name, idx); GB_begin_transaction(gb_main); dict = gb_create_dictionary(&(gbk[idx]), maxmem); if (dict) { /* decompress with old dictionary and write all data of actual type without compression: */ printf(" * Uncompressing all with old dictionary ...\n"); { int old_compression_mask = Main->keys[idx].compression_mask; Main->keys[idx].compression_mask &= ~GB_COMPRESSION_DICTIONARY; error = readAndWrite(&gbk[idx]); Main->keys[idx].compression_mask = old_compression_mask; } if (!error) { /* dictionary is saved in the following format: * * GB_NINT size * GB_NINT offsets[dict->words] * GB_NINT resort[dict->words] * char *text */ int dict_buffer_size = sizeof(GB_NINT) * (1+dict->words*2) + dict->textlen; char *dict_buffer = gbm_get_mem(dict_buffer_size, GBM_DICT_INDEX); long old_dict_buffer_size; char *old_dict_buffer; { GB_NINT *nint = (GB_NINT*)dict_buffer; int n; *nint++ = htonl(dict->words); for (n=0; nwords; n++) *nint++ = htonl(dict->offsets[n]); for (n=0; nwords; n++) *nint++ = htonl(dict->resort[n]); memcpy(nint, dict->text, dict->textlen); } error = gb_load_dictionary_data(gb_main, Main->keys[idx].key, &old_dict_buffer, &old_dict_buffer_size); if (!error) { gb_save_dictionary_data(gb_main, Main->keys[idx].key, dict_buffer, dict_buffer_size); /* compress all data with new dictionary */ printf(" * Compressing all with new dictionary ...\n"); error = readAndWrite(&gbk[idx]); if (error) { /* critical state: new dictionary has been written, but transaction will be aborted below. * Solution: Write back old dictionary. */ gb_save_dictionary_data(gb_main, Main->keys[idx].key, old_dict_buffer, old_dict_buffer_size); } } gbm_free_mem(dict_buffer, dict_buffer_size, GBM_DICT_INDEX); if (old_dict_buffer) gbm_free_mem(old_dict_buffer, old_dict_buffer_size, GBM_DICT_INDEX); #if defined(TEST_DICT) if (!error) { GB_DICTIONARY *dict_reloaded = gb_get_dictionary(Main, idx); test_dictionary(dict_reloaded,&(gbk[idx]), &uncompressed_sum, &compressed_sum); } #endif /* TEST_DICT */ } } error = GB_end_transaction(gb_main, error); } #ifdef TEST_DICT if (!error) { printf(" overall uncompressed size = %li b\n" " overall compressed size = %li b (Ratio=%li%%)\n", uncompressed_sum, compressed_sum, (compressed_sum*100)/uncompressed_sum); } #endif /* TEST_DICT */ printf("Done.\n"); g_b_opti_freeGbdByKey(Main,gbk); /* error = GB_commit_transaction((GBDATA*)Main->data);*/ } return error; } GB_ERROR GB_optimize(GBDATA *gb_main) { unsigned long maxKB = GB_get_physical_memory(); long maxMem; GB_ERROR error = 0; GB_UNDO_TYPE undo_type = GB_get_requested_undo_type(gb_main); #ifdef DEBUG maxKB /= 2; #endif if (maxKB<=(LONG_MAX/1024)) maxMem = maxKB*1024; else maxMem = LONG_MAX; GB_request_undo_type(gb_main,GB_UNDO_KILL); error = gb_create_dictionaries(GB_MAIN(gb_main), maxMem); GB_disable_quicksave(gb_main,"Database optimized"); GB_request_undo_type(gb_main,undo_type); return error; } ./arbsrc_9167/ARBDB/adperl.c0000644012664100000130000000466011440743000015363 0ustar arb_buildcoders#include #include #include #include "arbdb.h" GB_UNDO_TYPE GBP_undo_type(char *type){ GB_UNDO_TYPE utype = GB_UNDO_NONE; if (!strcasecmp("undo",type)) utype = GB_UNDO_UNDO; if (!strcasecmp("redo",type)) utype = GB_UNDO_REDO; if (utype == GB_UNDO_NONE){ GBK_terminate("Usage: ARB::undo(gb_main, 'undo'/'redo')"); } return utype; } int GBP_search_mode(char *search_mode){ if (!strcasecmp(search_mode,"this")) return this_level; if (!strcasecmp(search_mode,"down")) return down_level; if (!strcasecmp(search_mode,"down_2")) return down_2_level; if (!strcasecmp(search_mode,"this_next")) return this_level | search_next; if (!strcasecmp(search_mode,"down_next")) return down_level | search_next; GB_warningf("Error: ARB::find: Unknown search_mode '%s'\n" "Possible choices are: 'this' 'down' 'down_2' 'this_next' and 'down_next'", search_mode); return down_level; } static const char *gbp_typeconvert[] = { "NONE", "BIT", "BYTE", "INT", "FLOAT", "-----", "BITS", "----", "BYTES", "INTS", "FLOATS", "-----", "STRING", "------", "------", "CONTAINER", 0 }; const char *GBP_type_to_string(GB_TYPES type){ if (type >= GB_TYPE_MAX) { GB_warning("Unknown Type"); return "????"; } return gbp_typeconvert[type]; } GB_TYPES GBP_gb_types(char *type_name){ int i; if (!type_name) return GB_NONE; if (type_name[0] == 0) return GB_NONE; for (i=0;i #endif #ifdef __cplusplus extern "C" { #endif /* adsort.c */ void GB_sort P_((void **array, size_t first, size_t behind_last, gb_compare_function compare, void *client_data)); int GB_string_comparator P_((const void *v0, const void *v1, void *unused)); /* adlang1.c */ NOT4PERL void GB_set_export_sequence_hook P_((gb_export_sequence_cb escb)); void GB_set_ACISRT_trace P_((int enable)); int GB_get_ACISRT_trace P_((void)); /* adstring.c */ char *GB_find_all_files P_((const char *dir, const char *mask, GB_BOOL filename_only)); char *GB_find_latest_file P_((const char *dir, const char *mask)); void GB_raise_critical_error P_((const char *msg)); GB_ERROR GB_export_error P_((const char *error)); GB_ERROR GB_export_errorf P_((const char *templat, ...)) __ATTR__FORMAT(1); GB_ERROR GB_export_IO_error P_((const char *action, const char *filename)); GB_ERROR GB_print_error P_((void)); GB_ERROR GB_get_error P_((void)) __ATTR__DEPRECATED; GB_BOOL GB_have_error P_((void)); GB_ERROR GB_await_error P_((void)); void GB_clear_error P_((void)); GB_ERROR GB_failedTo_error P_((const char *do_something, const char *special, GB_ERROR error)); void GBS_reuse_buffer P_((GB_CSTR global_buffer)); GB_CSTR GBS_global_string P_((const char *templat, ...)) __ATTR__FORMAT(1); char *GBS_global_string_copy P_((const char *templat, ...)) __ATTR__FORMAT(1); const char *GBS_global_string_to_buffer P_((char *buffer, size_t bufsize, const char *templat, ...)) __ATTR__FORMAT(3); size_t GBS_last_global_string_size P_((void)); char *GBS_string_2_key_with_exclusions P_((const char *str, const char *additional)); char *GBS_string_2_key P_((const char *str)); GB_ERROR GB_check_key P_((const char *key)) __ATTR__USERESULT; GB_ERROR GB_check_link_name P_((const char *key)) __ATTR__USERESULT; GB_ERROR GB_check_hkey P_((const char *key)) __ATTR__USERESULT; char *GBS_remove_escape P_((char *com)); char *GBS_escape_string P_((const char *str, const char *chars_to_escape, char escape_char)); char *GBS_unescape_string P_((const char *str, const char *escaped_chars, char escape_char)); struct GBS_strstruct *GBS_stropen P_((long init_size)); char *GBS_strclose P_((struct GBS_strstruct *strstr)); void GBS_strforget P_((struct GBS_strstruct *strstr)); GB_BUFFER GBS_mempntr P_((struct GBS_strstruct *strstr)); long GBS_memoffset P_((struct GBS_strstruct *strstr)); void GBS_str_cut_tail P_((struct GBS_strstruct *strstr, int byte_count)); void GBS_strncat P_((struct GBS_strstruct *strstr, const char *ptr, size_t len)); void GBS_strcat P_((struct GBS_strstruct *strstr, const char *ptr)); void GBS_strnprintf P_((struct GBS_strstruct *strstr, long len, const char *templat, ...)) __ATTR__FORMAT(3); void GBS_chrcat P_((struct GBS_strstruct *strstr, char ch)); void GBS_intcat P_((struct GBS_strstruct *strstr, long val)); void GBS_floatcat P_((struct GBS_strstruct *strstr, double val)); char *GBS_eval_env P_((GB_CSTR p)); char *GBS_find_lib_file P_((const char *filename, const char *libprefix, int warn_when_not_found)); char **GBS_read_dir P_((const char *dir, const char *mask)); long GBS_gcgchecksum P_((const char *seq)); uint32_t GB_checksum P_((const char *seq, long length, int ignore_case, const char *exclude)); uint32_t GBS_checksum P_((const char *seq, int ignore_case, const char *exclude)); char *GBS_extract_words P_((const char *source, const char *chars, float minlen, GB_BOOL sort_output)); size_t GBS_shorten_repeated_data P_((char *data)); NOT4PERL void GB_install_error_handler P_((gb_error_handler_type aw_message_handler)); void GB_internal_error P_((const char *message)); void GB_internal_errorf P_((const char *templat, ...)) __ATTR__FORMAT(1); void GB_warning P_((const char *message)); void GB_warningf P_((const char *templat, ...)) __ATTR__FORMAT(1); NOT4PERL void GB_install_warning P_((gb_warning_func_type warn)); void GB_information P_((const char *message)); void GB_informationf P_((const char *templat, ...)) __ATTR__FORMAT(1); NOT4PERL void GB_install_information P_((gb_information_func_type info)); int GB_status P_((double val)); NOT4PERL void GB_install_status P_((gb_status_func_type func)); int GB_status2 P_((const char *templat, ...)) __ATTR__FORMAT(1); NOT4PERL void GB_install_status2 P_((gb_status_func2_type func2)); char *GBS_merge_tagged_strings P_((const char *s1, const char *tag1, const char *replace1, const char *s2, const char *tag2, const char *replace2)); char *GBS_string_eval_tagged_string P_((GBDATA *gb_main, const char *s, const char *dt, const char *tag, const char *srt, const char *aci, GBDATA *gbd)); char *GB_read_as_tagged_string P_((GBDATA *gbd, const char *tagi)); void GBS_fwrite_string P_((const char *strngi, FILE *out)); char *GBS_fread_string P_((FILE *in)); char *GBS_fconvert_string P_((char *buffer)); char *GBS_replace_tabs_by_spaces P_((const char *text)); int GBS_strscmp P_((const char *s1, const char *s2)); const char *GBS_readable_size P_((unsigned long long size)); char *GBS_trim P_((const char *str)); /* admatch.c */ GBS_MATCHER *GBS_compile_matcher P_((const char *search_expr, GB_CASE case_flag)); void GBS_free_matcher P_((GBS_MATCHER *matcher)); GBS_REGEX *GBS_compile_regexpr P_((const char *regexpr, GB_CASE case_flag, GB_ERROR *error)); void GBS_free_regexpr P_((GBS_REGEX *toFree)); const char *GBS_unwrap_regexpr P_((const char *regexpr_in_slashes, GB_CASE *case_flag, GB_ERROR *error)); const char *GBS_regmatch_compiled P_((const char *str, GBS_REGEX *comreg, size_t *matchlen)); const char *GBS_regmatch P_((const char *str, const char *regExpr, size_t *matchlen, GB_ERROR *error)); char *GBS_regreplace P_((const char *str, const char *regReplExpr, GB_ERROR *error)); GB_CSTR GBS_find_string P_((GB_CSTR str, GB_CSTR substr, int match_mode)); GB_BOOL GBS_string_matches P_((const char *str, const char *search, GB_CASE case_sens)); GB_BOOL GBS_string_matches_regexp P_((const char *str, const GBS_MATCHER *expr)); char *GBS_string_eval P_((const char *insource, const char *icommand, GBDATA *gb_container)); /* arbdb.c */ char *GB_rel P_((void *struct_adress, long rel_adress)); NOT4PERL GB_ERROR GB_safe_atof P_((const char *str, double *res)); double GB_atof P_((const char *str)); GB_BUFFER GB_give_buffer P_((size_t size)); GB_BUFFER GB_increase_buffer P_((size_t size)); int GB_give_buffer_size P_((void)); GB_BUFFER GB_give_buffer2 P_((long size)); int GB_is_in_buffer P_((GB_CBUFFER ptr)); char *GB_check_out_buffer P_((GB_CBUFFER buffer)); GB_BUFFER GB_give_other_buffer P_((GB_CBUFFER buffer, long size)); void GB_init_gb P_((void)); void GB_atclose P_((GBDATA *gbd, void (*fun )(GBDATA *gb_main, void *client_data ), void *client_data)); void GB_close P_((GBDATA *gbd)); long GB_read_int P_((GBDATA *gbd)); int GB_read_byte P_((GBDATA *gbd)); void *GB_read_pointer P_((GBDATA *gbd)); double GB_read_float P_((GBDATA *gbd)); long GB_read_count P_((GBDATA *gbd)); long GB_read_memuse P_((GBDATA *gbd)); GB_CSTR GB_read_pntr P_((GBDATA *gbd)); GB_CSTR GB_read_char_pntr P_((GBDATA *gbd)); char *GB_read_string P_((GBDATA *gbd)); long GB_read_string_count P_((GBDATA *gbd)); GB_CSTR GB_read_link_pntr P_((GBDATA *gbd)); char *GB_read_link P_((GBDATA *gbd)); long GB_read_link_count P_((GBDATA *gbd)); long GB_read_bits_count P_((GBDATA *gbd)); GB_CSTR GB_read_bits_pntr P_((GBDATA *gbd, char c_0, char c_1)); char *GB_read_bits P_((GBDATA *gbd, char c_0, char c_1)); GB_CSTR GB_read_bytes_pntr P_((GBDATA *gbd)); long GB_read_bytes_count P_((GBDATA *gbd)); char *GB_read_bytes P_((GBDATA *gbd)); GB_CUINT4 *GB_read_ints_pntr P_((GBDATA *gbd)); long GB_read_ints_count P_((GBDATA *gbd)); GB_UINT4 *GB_read_ints P_((GBDATA *gbd)); GB_CFLOAT *GB_read_floats_pntr P_((GBDATA *gbd)); long GB_read_floats_count P_((GBDATA *gbd)); float *GB_read_floats P_((GBDATA *gbd)); char *GB_read_as_string P_((GBDATA *gbd)); long GB_read_from_ints P_((GBDATA *gbd, long index)); double GB_read_from_floats P_((GBDATA *gbd, long index)); GB_ERROR GB_write_byte P_((GBDATA *gbd, int i)); GB_ERROR GB_write_int P_((GBDATA *gbd, long i)); GB_ERROR GB_write_pointer P_((GBDATA *gbd, void *pointer)); GB_ERROR GB_write_float P_((GBDATA *gbd, double f)); GB_ERROR GB_write_pntr P_((GBDATA *gbd, const char *s, long bytes_size, long stored_size)); GB_ERROR GB_write_string P_((GBDATA *gbd, const char *s)); GB_ERROR GB_write_link P_((GBDATA *gbd, const char *s)); GB_ERROR GB_write_bits P_((GBDATA *gbd, const char *bits, long size, const char *c_0)); GB_ERROR GB_write_bytes P_((GBDATA *gbd, const char *s, long size)); GB_ERROR GB_write_ints P_((GBDATA *gbd, const GB_UINT4 *i, long size)); GB_ERROR GB_write_floats P_((GBDATA *gbd, const float *f, long size)); GB_ERROR GB_write_as_string P_((GBDATA *gbd, const char *val)); int GB_read_security_write P_((GBDATA *gbd)); int GB_read_security_read P_((GBDATA *gbd)); int GB_read_security_delete P_((GBDATA *gbd)); int GB_get_my_security P_((GBDATA *gbd)); GB_ERROR GB_write_security_write P_((GBDATA *gbd, unsigned long level)); GB_ERROR GB_write_security_read P_((GBDATA *gbd, unsigned long level)); GB_ERROR GB_write_security_delete P_((GBDATA *gbd, unsigned long level)); GB_ERROR GB_write_security_levels P_((GBDATA *gbd, unsigned long readlevel, unsigned long writelevel, unsigned long deletelevel)); GB_ERROR GB_change_my_security P_((GBDATA *gbd, int level, const char *passwd)); void GB_push_my_security P_((GBDATA *gbd)); void GB_pop_my_security P_((GBDATA *gbd)); GB_TYPES GB_read_type P_((GBDATA *gbd)); char *GB_read_key P_((GBDATA *gbd)); GB_CSTR GB_read_key_pntr P_((GBDATA *gbd)); GBQUARK GB_key_2_quark P_((GBDATA *gbd, const char *s)); GBQUARK GB_get_quark P_((GBDATA *gbd)); GB_BOOL GB_has_key P_((GBDATA *gbd, const char *key)); long GB_read_clock P_((GBDATA *gbd)); long GB_read_transaction P_((GBDATA *gbd)); GBDATA *GB_get_father P_((GBDATA *gbd)); GBDATA *GB_get_grandfather P_((GBDATA *gbd)); GBDATA *GB_get_root P_((GBDATA *gbd)); GB_BOOL GB_check_father P_((GBDATA *gbd, GBDATA *gb_maybefather)); int GB_rename P_((GBDATA *gbc, const char *new_key)); GBDATA *GB_create P_((GBDATA *father, const char *key, GB_TYPES type)); GBDATA *GB_create_container P_((GBDATA *father, const char *key)); GB_ERROR GB_delete P_((GBDATA *source)); GB_ERROR GB_copy P_((GBDATA *dest, GBDATA *source)); GB_ERROR GB_copy_with_protection P_((GBDATA *dest, GBDATA *source, GB_BOOL copy_all_protections)); char *GB_get_subfields P_((GBDATA *gbd)); GB_ERROR GB_set_compression P_((GBDATA *gb_main, GB_COMPRESSION_MASK disable_compression)); GB_ERROR GB_set_temporary P_((GBDATA *gbd)); GB_ERROR GB_clear_temporary P_((GBDATA *gbd)); GB_BOOL GB_is_temporary P_((GBDATA *gbd)); GB_BOOL GB_in_temporary_branch P_((GBDATA *gbd)); GB_ERROR GB_push_local_transaction P_((GBDATA *gbd)); GB_ERROR GB_pop_local_transaction P_((GBDATA *gbd)); GB_ERROR GB_push_transaction P_((GBDATA *gbd)); GB_ERROR GB_pop_transaction P_((GBDATA *gbd)); GB_ERROR GB_begin_transaction P_((GBDATA *gbd)); GB_ERROR GB_no_transaction P_((GBDATA *gbd)); GB_ERROR GB_abort_transaction P_((GBDATA *gbd)); GB_ERROR GB_commit_transaction P_((GBDATA *gbd)); GB_ERROR GB_end_transaction P_((GBDATA *gbd, GB_ERROR error)); void GB_end_transaction_show_error P_((GBDATA *gbd, GB_ERROR error, void (*error_handler )(GB_ERROR ))); int GB_get_transaction_level P_((GBDATA *gbd)); GB_ERROR GB_update_server P_((GBDATA *gbd)); NOT4PERL GB_BOOL GB_inside_callback P_((GBDATA *of_gbd, enum gb_call_back_type cbtype)); GBDATA *GB_get_gb_main_during_cb P_((void)); NOT4PERL const void *GB_read_old_value P_((void)); long GB_read_old_size P_((void)); char *GB_get_callback_info P_((GBDATA *gbd)); GB_ERROR GB_add_priority_callback P_((GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata, int priority)); GB_ERROR GB_add_callback P_((GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata)); void GB_remove_callback P_((GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata)); void GB_remove_all_callbacks_to P_((GBDATA *gbd, enum gb_call_back_type type, GB_CB func)); GB_ERROR GB_ensure_callback P_((GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata)); GB_ERROR GB_release P_((GBDATA *gbd)); int GB_testlocal P_((GBDATA *gbd)); int GB_nsons P_((GBDATA *gbd)); void GB_disable_quicksave P_((GBDATA *gbd, const char *reason)); GB_ERROR GB_resort_data_base P_((GBDATA *gb_main, GBDATA **new_order_list, long listsize)); GB_ERROR GB_resort_system_folder_to_top P_((GBDATA *gb_main)); GB_ERROR GB_write_usr_public P_((GBDATA *gbd, long flags)); long GB_read_usr_public P_((GBDATA *gbd)); long GB_read_usr_private P_((GBDATA *gbd)); GB_ERROR GB_write_usr_private P_((GBDATA *gbd, long ref)); GB_ERROR GB_write_flag P_((GBDATA *gbd, long flag)); int GB_read_flag P_((GBDATA *gbd)); void GB_touch P_((GBDATA *gbd)); GB_ERROR GB_print_debug_information P_((void *dummy, GBDATA *gb_main)); int GB_info P_((GBDATA *gbd)); long GB_number_of_subentries P_((GBDATA *gbd)); /* admath.c */ double GB_log_fak P_((int n)); double GB_frandom P_((void)); int GB_random P_((int range)); /* adoptimize.c */ GB_ERROR GB_optimize P_((GBDATA *gb_main)); /* adsystem.c */ struct DictData *GB_get_dictionary P_((GBDATA *gb_main, const char *key)); GB_ERROR GB_set_dictionary P_((GBDATA *gb_main, const char *key, const struct DictData *dd)); void GB_free_dictionary P_((struct DictData *dd)); /* adindex.c */ GB_ERROR GB_create_index P_((GBDATA *gbd, const char *key, GB_CASE case_sens, long estimated_size)); NOT4PERL void GB_dump_indices P_((GBDATA *gbd)); GB_ERROR GB_request_undo_type P_((GBDATA *gb_main, GB_UNDO_TYPE type)); GB_UNDO_TYPE GB_get_requested_undo_type P_((GBDATA *gb_main)); GB_ERROR GB_undo P_((GBDATA *gb_main, GB_UNDO_TYPE type)); char *GB_undo_info P_((GBDATA *gb_main, GB_UNDO_TYPE type)); GB_ERROR GB_set_undo_mem P_((GBDATA *gbd, long memsize)); /* adperl.c */ GB_UNDO_TYPE GBP_undo_type P_((char *type)); int GBP_search_mode P_((char *search_mode)); const char *GBP_type_to_string P_((GB_TYPES type)); GB_TYPES GBP_gb_types P_((char *type_name)); GB_UNDO_TYPE GBP_undo_types P_((const char *type_name)); const char *GBP_undo_type_2_string P_((GB_UNDO_TYPE type)); /* adlink.c */ GBDATA *GB_follow_link P_((GBDATA *gb_link)); GB_ERROR GB_install_link_follower P_((GBDATA *gb_main, const char *link_type, GB_Link_Follower link_follower)); /* adsocket.c */ void GB_usleep P_((long usec)); GB_ULONG GB_time_of_file P_((const char *path)); long GB_size_of_file P_((const char *path)); long GB_mode_of_file P_((const char *path)); long GB_mode_of_link P_((const char *path)); GB_BOOL GB_is_regularfile P_((const char *path)); GB_BOOL GB_is_executablefile P_((const char *path)); GB_BOOL GB_is_privatefile P_((const char *path, GB_BOOL read_private)); GB_BOOL GB_is_readablefile P_((const char *filename)); GB_BOOL GB_is_directory P_((const char *path)); long GB_getuid_of_file P_((char *path)); int GB_unlink P_((const char *path)); void GB_unlink_or_warn P_((const char *path, GB_ERROR *error)); char *GB_follow_unix_link P_((const char *path)); GB_ERROR GB_symlink P_((const char *name1, const char *name2)); GB_ERROR GB_set_mode_of_file P_((const char *path, long mode)); GB_ERROR GB_rename_file P_((const char *oldpath, const char *newpath)); char *GB_read_fp P_((FILE *in)); char *GB_read_file P_((const char *path)); char *GB_map_FILE P_((FILE *in, int writeable)); char *GB_map_file P_((const char *path, int writeable)); long GB_size_of_FILE P_((FILE *in)); GB_ULONG GB_time_of_day P_((void)); long GB_last_saved_clock P_((GBDATA *gb_main)); GB_ULONG GB_last_saved_time P_((GBDATA *gb_main)); GB_ERROR GB_textprint P_((const char *path)) __ATTR__USERESULT; GB_CSTR GB_getcwd P_((void)); GB_ERROR GB_system P_((const char *system_command)) __ATTR__USERESULT; GB_ERROR GB_xterm P_((void)) __ATTR__USERESULT; GB_ERROR GB_xcmd P_((const char *cmd, GB_BOOL background, GB_BOOL wait_only_if_error)) __ATTR__USERESULT; char *GB_executable P_((GB_CSTR exe_name)); char *GB_find_executable P_((GB_CSTR description_of_executable, ...)) __ATTR__SENTINEL; GB_CSTR GB_getenvUSER P_((void)); GB_CSTR GB_getenvHOME P_((void)); GB_CSTR GB_getenvARBHOME P_((void)); GB_CSTR GB_getenvARBMACRO P_((void)); GB_CSTR GB_getenvARBMACROHOME P_((void)); GB_CSTR GB_getenvPATH P_((void)); GB_CSTR GB_getenvARB_GS P_((void)); GB_CSTR GB_getenvARB_PDFVIEW P_((void)); GB_CSTR GB_getenvARB_TEXTEDIT P_((void)); GB_CSTR GB_getenvDOCPATH P_((void)); GB_CSTR GB_getenvHTMLDOCPATH P_((void)); GB_CSTR GB_getenv P_((const char *env)); int GB_host_is_local P_((const char *hostname)); GB_ULONG GB_get_physical_memory P_((void)); GB_CSTR GB_append_suffix P_((const char *name, const char *suffix)); GB_CSTR GB_get_full_path P_((const char *anypath)); GB_CSTR GB_concat_path P_((GB_CSTR anypath_left, GB_CSTR anypath_right)); GB_CSTR GB_concat_full_path P_((const char *anypath_left, const char *anypath_right)); GB_CSTR GB_path_in_ARBHOME P_((const char *relative_path_left, const char *anypath_right)); GB_CSTR GB_path_in_ARBLIB P_((const char *relative_path_left, const char *anypath_right)); FILE *GB_fopen_tempfile P_((const char *filename, const char *fmode, char **res_fullname)); char *GB_create_tempfile P_((const char *name)); char *GB_unique_filename P_((const char *name_prefix, const char *suffix)); void GB_remove_on_exit P_((const char *filename)); void GB_split_full_path P_((const char *fullpath, char **res_dir, char **res_fullname, char **res_name_only, char **res_suffix)); /* adcomm.c */ GB_ERROR GBCMS_open P_((const char *path, long timeout, GBDATA *gb_main)); void GBCMS_shutdown P_((GBDATA *gbd)); GB_BOOL GBCMS_accept_calls P_((GBDATA *gbd, GB_BOOL wait_extra_time)); long GB_read_clients P_((GBDATA *gbd)); GB_BOOL GB_is_server P_((GBDATA *gbd)); GB_BOOL GB_is_client P_((GBDATA *gbd)); GBDATA *GBCMC_find P_((GBDATA *gbd, const char *key, GB_TYPES type, const char *str, GB_CASE case_sens, enum gb_search_types gbs)); int GBCMC_system P_((GBDATA *gbd, const char *ss)); GB_ERROR GB_tell_server_dont_wait P_((GBDATA *gbd)); GB_CSTR GB_get_hostname P_((void)); GB_ERROR GB_install_pid P_((int mode)); const char *GB_date_string P_((void)); /* adhash.c */ long GBS_get_a_prime P_((long above_or_equal_this)); GB_HASH *GBS_create_hash P_((long user_size, GB_CASE case_sens)); GB_HASH *GBS_create_dynaval_hash P_((long user_size, GB_CASE case_sens, void (*freefun )(long ))); void GBS_dynaval_free P_((long val)); void GBS_optimize_hash P_((GB_HASH *hs)); char *GBS_hashtab_2_string P_((GB_HASH *hash)); char *GBS_string_2_hashtab P_((GB_HASH *hash, char *data)); long GBS_read_hash P_((const GB_HASH *hs, const char *key)); long GBS_write_hash P_((GB_HASH *hs, const char *key, long val)); long GBS_write_hash_no_strdup P_((GB_HASH *hs, char *key, long val)); long GBS_incr_hash P_((GB_HASH *hs, const char *key)); double GBS_hash_mean_access_costs P_((GB_HASH *hs)); void GBS_free_hash_entries P_((GB_HASH *hs)); void GBS_free_hash P_((GB_HASH *hs)); void GBS_clear_hash_statistic_summary P_((const char *id)); void GBS_print_hash_statistic_summary P_((const char *id)); void GBS_calc_hash_statistic P_((GB_HASH *hs, const char *id, int print)); void GBS_hash_do_loop P_((GB_HASH *hs, gb_hash_loop_type func, void *client_data)); long GBS_hash_count_elems P_((GB_HASH *hs)); long GBS_hash_count_value P_((GB_HASH *hs, long val)); const char *GBS_hash_next_element_that P_((GB_HASH *hs, const char *last_key, GB_BOOL (*condition )(const char *key, long val, void *cd ), void *cd)); void GBS_hash_do_sorted_loop P_((GB_HASH *hs, gb_hash_loop_type func, gbs_hash_compare_function sorter, void *client_data)); int GBS_HCF_sortedByKey P_((const char *k0, long v0, const char *k1, long v1)); GB_HASHI *GBS_create_hashi P_((long user_size)); long GBS_read_hashi P_((GB_HASHI *hs, long key)); long GBS_write_hashi P_((GB_HASHI *hs, long key, long val)); void GBS_free_hashi P_((GB_HASHI *hs)); char *GB_set_cache_size P_((GBDATA *gbd, long size)); /* adquery.c */ const char *GB_get_GBDATA_path P_((GBDATA *gbd)); GBDATA *GB_find_sub_by_quark P_((GBDATA *father, int key_quark, GBDATA *after)); NOT4PERL GBDATA *GB_find_subcontent_by_quark P_((GBDATA *father, int key_quark, GB_TYPES type, const char *val, GB_CASE case_sens, GBDATA *after)); GBDATA *GB_find P_((GBDATA *gbd, const char *key, long gbs)); GBDATA *GB_find_string P_((GBDATA *gbd, const char *key, const char *str, GB_CASE case_sens, long gbs)); NOT4PERL GBDATA *GB_find_int P_((GBDATA *gbd, const char *key, long val, long gbs)); GBDATA *GB_child P_((GBDATA *father)); GBDATA *GB_nextChild P_((GBDATA *child)); GBDATA *GB_entry P_((GBDATA *father, const char *key)); GBDATA *GB_nextEntry P_((GBDATA *entry)); GBDATA *GB_brother P_((GBDATA *entry, const char *key)); char *GB_first_non_key_char P_((const char *str)); GBDATA *GB_search P_((GBDATA *gbd, const char *fieldpath, long create)); GBDATA *GB_searchOrCreate_string P_((GBDATA *gb_container, const char *fieldpath, const char *default_value)); GBDATA *GB_searchOrCreate_int P_((GBDATA *gb_container, const char *fieldpath, long default_value)); GBDATA *GB_searchOrCreate_float P_((GBDATA *gb_container, const char *fieldpath, double default_value)); GBDATA *GB_search_last_son P_((GBDATA *gbd)); long GB_number_of_marked_subentries P_((GBDATA *gbd)); GBDATA *GB_first_marked P_((GBDATA *gbd, const char *keystring)); GBDATA *GB_next_marked P_((GBDATA *gbd, const char *keystring)); char *GB_command_interpreter P_((GBDATA *gb_main, const char *str, const char *commands, GBDATA *gbd, const char *default_tree_name)); /* ad_save_load.c */ GB_ERROR GB_save P_((GBDATA *gb, const char *path, const char *savetype)); GB_ERROR GB_create_directory P_((const char *path)); GB_ERROR GB_save_in_home P_((GBDATA *gb, const char *path, const char *savetype)); GB_ERROR GB_save_as P_((GBDATA *gb, const char *path, const char *savetype)); GB_ERROR GB_delete_database P_((GB_CSTR filename)); GB_ERROR GB_save_quick_as P_((GBDATA *gb_main, char *path)); GB_ERROR GB_save_quick P_((GBDATA *gb, char *refpath)); void GB_disable_path P_((GBDATA *gbd, const char *path)); /* adcompr.c */ GB_BOOL GB_is_directory_compressed P_((GBDATA *gbd)); /* admalloc.c */ NOT4PERL void *GB_calloc P_((unsigned int nelem, unsigned int elsize)); char *GB_strdup P_((const char *p)); char *GB_strduplen P_((const char *p, unsigned len)); char *GB_strpartdup P_((const char *start, const char *end)); char *GB_strndup P_((const char *start, int len)); NOT4PERL void *GB_recalloc P_((void *ptr, unsigned int oelem, unsigned int nelem, unsigned int elsize)); void GB_memerr P_((void)); /* ad_load.c */ void GB_set_next_main_idx P_((long idx)); GBDATA *GB_login P_((const char *cpath, const char *opent, const char *user)); GBDATA *GB_open P_((const char *path, const char *opent)); void GB_set_verbose P_((void)); /* adTest.c */ const char *GB_get_type_name P_((GBDATA *gbd)); const char *GB_get_db_path P_((GBDATA *gbd)); void GB_dump_db_path P_((GBDATA *gbd)); void GB_dump P_((GBDATA *gbd)); void GB_dump_no_limit P_((GBDATA *gbd)); GB_ERROR GB_fix_database P_((GBDATA *gb_main)); /* adGene.c */ GB_BOOL GEN_is_genome_db P_((GBDATA *gb_main, int default_value)); GBDATA *GEN_findOrCreate_gene_data P_((GBDATA *gb_species)); GBDATA *GEN_find_gene_data P_((GBDATA *gb_species)); GBDATA *GEN_expect_gene_data P_((GBDATA *gb_species)); GBDATA *GEN_find_gene_rel_gene_data P_((GBDATA *gb_gene_data, const char *name)); GBDATA *GEN_find_gene P_((GBDATA *gb_species, const char *name)); GBDATA *GEN_create_nonexisting_gene_rel_gene_data P_((GBDATA *gb_gene_data, const char *name)); GBDATA *GEN_create_nonexisting_gene P_((GBDATA *gb_species, const char *name)); GBDATA *GEN_find_or_create_gene_rel_gene_data P_((GBDATA *gb_gene_data, const char *name)); GBDATA *GEN_find_or_create_gene P_((GBDATA *gb_species, const char *name)); GBDATA *GEN_first_gene P_((GBDATA *gb_species)); GBDATA *GEN_first_gene_rel_gene_data P_((GBDATA *gb_gene_data)); GBDATA *GEN_next_gene P_((GBDATA *gb_gene)); GBDATA *GEN_first_marked_gene P_((GBDATA *gb_species)); GBDATA *GEN_next_marked_gene P_((GBDATA *gb_gene)); struct GEN_position *GEN_new_position P_((int parts, GB_BOOL joinable)); void GEN_use_uncertainties P_((struct GEN_position *pos)); void GEN_free_position P_((struct GEN_position *pos)); struct GEN_position *GEN_read_position P_((GBDATA *gb_gene)); GB_ERROR GEN_write_position P_((GBDATA *gb_gene, const struct GEN_position *pos)); void GEN_sortAndMergeLocationParts P_((struct GEN_position *location)); const char *GEN_origin_organism P_((GBDATA *gb_pseudo)); const char *GEN_origin_gene P_((GBDATA *gb_pseudo)); GB_BOOL GEN_is_pseudo_gene_species P_((GBDATA *gb_species)); GB_ERROR GEN_organism_not_found P_((GBDATA *gb_pseudo)); GBDATA *GEN_read_pseudo_species_from_hash P_((GB_HASH *pseudo_hash, const char *organism_name, const char *gene_name)); void GEN_add_pseudo_species_to_hash P_((GBDATA *gb_pseudo, GB_HASH *pseudo_hash)); GB_HASH *GEN_create_pseudo_species_hash P_((GBDATA *gb_main, int additionalSize)); GBDATA *GEN_find_pseudo_species P_((GBDATA *gb_main, const char *organism_name, const char *gene_name, GB_HASH *pseudo_hash)); GBDATA *GEN_find_origin_organism P_((GBDATA *gb_pseudo, GB_HASH *organism_hash)); GBDATA *GEN_find_origin_gene P_((GBDATA *gb_pseudo, GB_HASH *organism_hash)); GBDATA *GEN_first_pseudo_species P_((GBDATA *gb_main)); GBDATA *GEN_first_pseudo_species_rel_species_data P_((GBDATA *gb_species_data)); GBDATA *GEN_next_pseudo_species P_((GBDATA *gb_species)); GBDATA *GEN_first_marked_pseudo_species P_((GBDATA *gb_main)); GBDATA *GEN_next_marked_pseudo_species P_((GBDATA *gb_species)); GB_BOOL GEN_is_organism P_((GBDATA *gb_species)); GBDATA *GEN_find_organism P_((GBDATA *gb_main, const char *name)); GBDATA *GEN_first_organism P_((GBDATA *gb_main)); GBDATA *GEN_next_organism P_((GBDATA *gb_organism)); long GEN_get_organism_count P_((GBDATA *gb_main)); GBDATA *GEN_first_marked_organism P_((GBDATA *gb_main)); GBDATA *GEN_next_marked_organism P_((GBDATA *gb_organism)); char *GEN_global_gene_identifier P_((GBDATA *gb_gene, GBDATA *gb_organism)); /* adtcp.c */ const char *GBS_scan_arb_tcp_param P_((const char *ipPort, const char *wantedParam)); const char *GBS_read_arb_tcp P_((const char *env)); const char *const *GBS_get_arb_tcp_entries P_((const char *matching)); const char *GBS_ptserver_logname P_((void)); void GBS_add_ptserver_logentry P_((const char *entry)); char *GBS_ptserver_id_to_choice P_((int i, int showBuild)); /* adhashtools.c */ long GBT_get_species_hash_size P_((GBDATA *gb_main)); void GBT_add_item_to_hash P_((GBDATA *gb_item, GB_HASH *item_hash)); GB_HASH *GBT_create_species_hash P_((GBDATA *gb_main)); GB_HASH *GBT_create_species_hash_sized P_((GBDATA *gb_main, long species_count)); GB_HASH *GBT_create_marked_species_hash P_((GBDATA *gb_main)); GB_HASH *GBT_create_SAI_hash P_((GBDATA *gb_main)); GB_HASH *GBT_create_organism_hash P_((GBDATA *gb_main)); /* adExperiment.c */ GBDATA *EXP_get_experiment_data P_((GBDATA *gb_species)); GBDATA *EXP_find_experiment_rel_exp_data P_((GBDATA *gb_experiment_data, const char *name)); GBDATA *EXP_find_experiment P_((GBDATA *gb_species, const char *name)); GBDATA *EXP_expect_experiment P_((GBDATA *gb_species, const char *name)); GBDATA *EXP_first_experiment_rel_exp_data P_((GBDATA *gb_experiment_data)); GBDATA *EXP_next_experiment P_((GBDATA *gb_experiment)); GBDATA *EXP_find_or_create_experiment_rel_exp_data P_((GBDATA *gb_experiment_data, const char *name)); #ifdef __cplusplus } #endif #else #error ad_prot.h included twice #endif /* AD_PROT_H */ ./arbsrc_9167/ARBDB/adquery.c0000644012664100000130000011400711656765614015613 0ustar arb_buildcoders#include #include #include /* #include */ #include #include "adlocal.h" /*#include "arbdb.h"*/ static void build_GBDATA_path(GBDATA *gbd, char **buffer) { GBCONTAINER *gbc = GB_FATHER(gbd); const char *key; if (gbc) { build_GBDATA_path((GBDATA*)gbc, buffer); key = GB_KEY(gbd); { char *bp = *buffer; *bp++ = '/'; while (*key) *bp++ = *key++; *bp = 0; *buffer = bp; } } } #define BUFFERSIZE 1024 const char *GB_get_GBDATA_path(GBDATA *gbd) { static char *orgbuffer = NULL; char *buffer; if (!orgbuffer) orgbuffer = (char*)malloc(BUFFERSIZE); buffer = orgbuffer; build_GBDATA_path(gbd, &buffer); assert_or_exit((buffer-orgbuffer) < BUFFERSIZE); // buffer overflow return orgbuffer; } /******************************************************************************************** QUERIES ********************************************************************************************/ static GB_BOOL gb_find_value_equal(GBDATA *gb, GB_TYPES type, const char *val, GB_CASE case_sens) { GB_BOOL equal = GB_FALSE; #if defined(DEBUG) GB_TYPES realtype = GB_TYPE(gb); gb_assert(val); if (type == GB_STRING) { gb_assert(realtype == GB_STRING || realtype == GB_LINK); /* gb_find_internal called with wrong type */ } else { gb_assert(realtype == type); /* gb_find_internal called with wrong type */ } #endif /* DEBUG */ switch (type) { case GB_STRING: case GB_LINK: equal = GBS_string_matches(GB_read_char_pntr(gb), val, case_sens); break; case GB_INT: { int i = GB_read_int(gb); if (i == *(int*)val) equal = GB_TRUE; break; } case GB_FLOAT: { double d = GB_read_float(gb); if (d == *(double*)val) equal = GB_TRUE; break; } default: { const char *err = GBS_global_string("Value search not supported for data type %i (%i)", GB_TYPE(gb), type); GB_internal_error(err); break; } } return equal; } static GBDATA *find_sub_by_quark(GBDATA *father, int key_quark, GB_TYPES type, const char *val, GB_CASE case_sens, GBDATA *after) { /* search an entry with a key 'key_quark' below a container 'father' after position 'after' if (val != NULL) search for entry with value 'val': GB_STRING/GB_LINK: compares string (case_sensitive or not) GB_INT: compares values GB_FLOAT: ditto (val MUST be a 'double*') others: not implemented yet Note: to search for non-char*-values use GB_find_int() for other types write a new similar function if key_quark<0 search everything */ int end, index; GBCONTAINER *gbf = (GBCONTAINER*)father; struct gb_header_list_struct *header; GBDATA *gb; end = gbf->d.nheader; header = GB_DATA_LIST_HEADER(gbf->d); if (after) index = (int)after->index+1; else index = 0; if (key_quark<0) { /* unspecific key quark (i.e. search all) */ gb_assert(!val); /* search for val not possible if searching all keys! */ if (!val) { for ( ; index < end; index++) { if ((int)header[index].flags.key_quark != 0) { if ( (int)header[index].flags.changed >= gb_deleted) continue; if (!(gb=GB_HEADER_LIST_GBD(header[index]))) { gb_unfold( gbf, 0, index); header = GB_DATA_LIST_HEADER(gbf->d); gb = GB_HEADER_LIST_GBD(header[index]); if (!gb) { const char *err = GBS_global_string("Database entry #%u is missing (in '%s')", index, GB_get_GBDATA_path(father)); GB_internal_error(err); continue; } } return gb; } } } } else { /* specific key quark */ for ( ; index < end; index++) { if ( (key_quark == (int)header[index].flags.key_quark)) /* if ( (key_quark<0 && ((int)header[index].flags.key_quark != 0)) || ((int)header[index].flags.key_quark == key_quark) ) */ { if ( (int)header[index].flags.changed >= gb_deleted) continue; if (!(gb=GB_HEADER_LIST_GBD(header[index]))) { gb_unfold( gbf, 0, index); header = GB_DATA_LIST_HEADER(gbf->d); gb = GB_HEADER_LIST_GBD(header[index]); if (!gb){ const char *err = GBS_global_string("Database entry #%u is missing (in '%s')", index, GB_get_GBDATA_path(father)); GB_internal_error(err); continue; } } if (val){ if (!gb){ GB_internal_error("Cannot unfold data"); continue; } else { if (!gb_find_value_equal(gb, type, val, case_sens)) continue; } } return gb; } } } return NULL; } GBDATA *GB_find_sub_by_quark(GBDATA *father, int key_quark, GBDATA *after) { return find_sub_by_quark(father, key_quark, GB_NONE, NULL, GB_MIND_CASE, after); } NOT4PERL GBDATA *GB_find_subcontent_by_quark(GBDATA *father, int key_quark, GB_TYPES type, const char *val, GB_CASE case_sens, GBDATA *after) { return find_sub_by_quark(father, key_quark, type, val, case_sens, after); } static GBDATA *find_sub_sub_by_quark(GBDATA *father, const char *key, int sub_key_quark, GB_TYPES type, const char *val, GB_CASE case_sens, GBDATA *after){ int end, index; struct gb_header_list_struct *header; GBCONTAINER *gbf = (GBCONTAINER*)father; GBDATA *gb; GBDATA *res; struct gb_index_files_struct *ifs=NULL; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbf); end = gbf->d.nheader; header = GB_DATA_LIST_HEADER(gbf->d); if (after) index = (int)after->index+1; else index = 0; /******* look for any hash index tables *********/ /******* no wildcards allowed ********/ if (!Main->local_mode) { if (gbf->flags2.folded_container){ /* do the query in the server */ if (GB_ARRAY_FLAGS(gbf).changed){ if (!gbf->flags2.update_in_server){ GB_update_server((GBDATA *)gbf); } } } if (gbf->d.size > GB_MAX_LOCAL_SEARCH && val) { if (after) res = GBCMC_find(after, key, type, val, case_sens, (enum gb_search_types)(down_level|search_next)); else res = GBCMC_find(father, key, type, val, case_sens, down_2_level); return res; } } if (val && (ifs=GBCONTAINER_IFS(gbf))!=NULL && (!strchr(val, '*')) && (!strchr(val, '?'))) { for (; ifs; ifs = GB_INDEX_FILES_NEXT(ifs)) { if (ifs->key != sub_key_quark) continue; /****** We found the index table ******/ res = gb_index_find(gbf, ifs, sub_key_quark, val, case_sens, index); return res; } } if (after) gb = after; else gb = NULL; for ( ; index < end; index++) { GBDATA *gbn = GB_HEADER_LIST_GBD(header[index]); if ( (int)header[index].flags.changed >= gb_deleted) continue; if (!gbn) { if (!Main->local_mode) { if (gb) res = GBCMC_find(gb, key, type, val, case_sens, (enum gb_search_types)(down_level|search_next)); else res = GBCMC_find(father, key, type, val, case_sens, down_2_level); return res; } GB_internal_error("Empty item in server"); continue; } gb = gbn; if (GB_TYPE(gb) != GB_DB) continue; res = GB_find_subcontent_by_quark(gb, sub_key_quark, type, val, case_sens, NULL); if (res) return res; } return NULL; } static GBDATA *gb_find_internal(GBDATA *gbd, const char *key, GB_TYPES type, const char *val, GB_CASE case_sens, long /*enum gb_search_types*/ gbs) /* searches from 'gdb' for the first entry 'key' * if 'val' != NULL then we search for the first entry 'key' that is equal to 'val' * Test depends on 'type' : * GB_STRING -> string compare (as well works for GB_LINK). case handling depends on 'case_sens' * GB_INT -> compare integers */ { GBCONTAINER *gbc; GBQUARK key_quark; GBDATA *after = NULL; if ( gbd == NULL ) return NULL; ad_assert(GB_FATHER(gbd)); /* otherwise your GBDATA has been deleted !? */ if (gbs & this_level) { gbs &= ~this_level; gbs |= down_level; gbc = GB_FATHER(gbd); if (gbs & search_next) { after = gbd; gbs &= ~search_next; } }else{ if (gbs & search_next) { after = gbd; gbc = GB_FATHER(gbd); gbs = down_2_level; }else{ if (GB_TYPE(gbd) != GB_DB) return NULL; gbc = (GBCONTAINER *)gbd; } } key_quark = key ? GB_key_2_quark(gbd,key) : -1; switch (gbs) { case down_level: return GB_find_subcontent_by_quark((GBDATA*)gbc, key_quark, type, val, case_sens, after); case down_2_level: return find_sub_sub_by_quark((GBDATA*)gbc, key, key_quark, type, val, case_sens, after); default: GB_internal_errorf("Unknown search type %li",gbs); return NULL; } } GBDATA *GB_find(GBDATA *gbd, const char *key, long /*enum gb_search_types*/ gbs) { // normally you should not need to use GB_find! // better use one of the replacement functions // (GB_find_string, GB_find_int, GB_child, GB_nextChild, GB_entry, GB_nextEntry, GB_brother) return gb_find_internal(gbd, key, GB_NONE, NULL, GB_CASE_UNDEFINED, gbs); } GBDATA *GB_find_string(GBDATA *gbd, const char *key, const char *str, GB_CASE case_sens, long /*enum gb_search_types*/ gbs) { // search for a subentry of 'gbd' that has // - fieldname 'key' // - type GB_STRING and // - content matching 'str' // if 'case_sensitive' is GB_TRUE, content is matched case sensitive. // GBS_string_matches is used to compare (supports wildcards) return gb_find_internal(gbd, key, GB_STRING, str, case_sens, gbs); } NOT4PERL GBDATA *GB_find_int(GBDATA *gbd, const char *key, long val, long gbs) { // search for a subentry of 'gbd' that has // - fieldname 'key' // - type GB_INT // - and value 'val' return gb_find_internal(gbd, key, GB_INT, (const char *)&val, GB_CASE_UNDEFINED, gbs); } /* ---------------------------------------------------- */ /* iterate over ALL subentries of a container */ /* ---------------------------------------------------- */ GBDATA *GB_child(GBDATA *father) { // return first child (or NULL if no children) return GB_find(father, NULL, down_level); } GBDATA *GB_nextChild(GBDATA *child) { // return next child after 'child' (or NULL if no more children) return GB_find(child, NULL, this_level|search_next); } /* ------------------------------------------------------------------------------ */ /* iterate over all subentries of a container that have a specified key */ /* ------------------------------------------------------------------------------ */ GBDATA *GB_entry(GBDATA *father, const char *key) { // GB_entry // return first child of 'father' that has fieldname 'key' // (or NULL if none found) return GB_find(father, key, down_level); } GBDATA *GB_nextEntry(GBDATA *entry) { // GB_nextEntry // return next child after 'entry', that has the same fieldname // (or NULL if 'entry' is last one) return GB_find_sub_by_quark((GBDATA*)GB_FATHER(entry), GB_get_quark(entry), entry); /* return GB_find(brother, key, this_level|search_next); */ } GBDATA *GB_brother(GBDATA *entry, const char *key) { // searches (first) brother (before or after) of 'entry' which has field 'key' // i.e. does same as GB_entry(GB_get_father(entry), key) return GB_find(entry, key, this_level); } /* get a subentry by its internal number: Warning: This subentry must exists, otherwise internal error */ GBDATA *gb_find_by_nr(GBDATA *father, int index){ GBCONTAINER *gbf = (GBCONTAINER*)father; struct gb_header_list_struct *header; GBDATA *gb; if (GB_TYPE(father) != GB_DB) { GB_internal_error("type is not GB_DB"); return NULL; } header = GB_DATA_LIST_HEADER(gbf->d); if (index >= gbf->d.nheader || index <0){ GB_internal_errorf("Index '%i' out of range [%i:%i[",index,0,gbf->d.nheader); return NULL; } if ( (int)header[index].flags.changed >= gb_deleted || !header[index].flags.key_quark){ GB_internal_error("Entry already deleted"); return NULL; } if (!(gb=GB_HEADER_LIST_GBD(header[index]))) { gb_unfold( gbf, 0, index); header = GB_DATA_LIST_HEADER(gbf->d); gb = GB_HEADER_LIST_GBD(header[index]); if (!gb) { GB_internal_error("Could not unfold data"); return NULL; } } return gb; } /******************************************************************************************** Another Query Procedure ********************************************************************************************/ char gb_ctype_table[256]; void gb_init_ctype_table(){ int i; for (i=0;i<256;i++){ if (islower(i) || isupper(i) || isdigit(i) || i=='_' || i=='@' ){ gb_ctype_table[i] = 1; }else{ gb_ctype_table[i] = 0; } } } static GB_INLINE char *gb_first_non_key_character(const char *str){ const char *s = str; int c; while(1){ c = *s; if (!gb_ctype_table[c]){ if (c ==0) break; return (char *)(s); } s++; } return NULL; } char *GB_first_non_key_char(const char *str){ return gb_first_non_key_character(str); } GBDATA *gb_search(GBDATA * gbd, const char *str, GB_TYPES create, int internflag) { /* finds a hierarchical key, if create != GB_FIND(==0), then create the key force types if ! internflag */ char *s1, *s2; GBDATA *gbp, *gbsp; int len; int seperator = 0; char buffer[GB_PATH_MAX]; /*fprintf(stderr, "gb_search(%p, %s, %li, %i)\n", gbd, str, create, internflag);*/ GB_TEST_TRANSACTION(gbd); if (!str) { return GB_child(gbd); } if (*str == '/') { gbd = GB_get_root(gbd); str++; } if (!gb_first_non_key_character(str)) { gbsp = GB_entry(gbd,str); if (gbsp && create) { GB_TYPES oldType = GB_TYPE(gbsp); if (create != oldType) { /* type mismatch */ GB_export_errorf("Inconsistent type for field '%s' (existing=%i, expected=%i)", str, oldType, create); return NULL; } } if (!gbsp && create) { if (internflag){ if (create == GB_CREATE_CONTAINER) { gbsp = gb_create_container(gbd,str); }else{ gbsp = gb_create(gbd,str,create); } }else{ if (create == GB_CREATE_CONTAINER) { gbsp = GB_create_container(gbd,str); }else{ gbsp = gb_create(gbd,str,create); } } if (!gbsp) GB_print_error(); } return gbsp; } { len = strlen(str)+1; if (len > GB_PATH_MAX) { GB_internal_errorf("Path Length '%i' exceeded by '%s'",GB_PATH_MAX,str); return NULL; } memcpy(buffer,str,len); } gbp = gbd; for ( s1 = buffer;s1; s1 = s2) { s2 = gb_first_non_key_character(s1); if (s2) { seperator = *s2; *(s2++) = 0; if (seperator == '-') { if ((*s2) != '>'){ GB_export_errorf("Invalid key for gb_search '%s'",str); GB_print_error(); return NULL; } s2++; } } if (strcmp("..", s1) == 0) { gbsp = GB_get_father(gbp); } else { gbsp = GB_entry(gbp, s1); if (gbsp && seperator == '-'){ /* follow link !!! */ if (GB_TYPE(gbsp) != GB_LINK){ if (create){ GB_export_error("Cannot create links on the fly in GB_search"); GB_print_error(); } return NULL; } gbsp = GB_follow_link(gbsp); seperator = 0; if (!gbsp) return NULL; /* cannot resolve link */ } while (gbsp && create) { if (s2){ /* non terminal */ if (GB_DB == GB_TYPE(gbsp)) break; }else{ /* terminal */ if (create == GB_TYPE(gbsp)) break; } GB_internal_errorf("Inconsistent Type %u:%u '%s':'%s', repairing database", create, GB_TYPE(gbsp), str, s1); GB_print_error(); GB_delete(gbsp); gbsp = GB_entry(gbd,s1); } } if (!gbsp) { if(!create) return NULL; /* read only mode */ if (seperator == '-'){ GB_export_error("Cannot create linked objects"); return NULL; /* do not create linked objects */ } if (s2 || (create == GB_CREATE_CONTAINER)) { gbsp = internflag ? gb_create_container(gbp, s1) : GB_create_container(gbp, s1); } else { gbsp = GB_create(gbp, s1,(GB_TYPES)create); if (create == GB_STRING) { GB_ERROR error = GB_write_string(gbsp,""); if (error) GB_internal_error("Couldn't write to just created string entry"); } } if (!gbsp) return NULL; } gbp = gbsp; } return gbp; } GBDATA *GB_search(GBDATA * gbd, const char *fieldpath, long /*enum gb_search_enum*/ create){ return gb_search(gbd, fieldpath, create, 0); } static GBDATA *gb_expect_type(GBDATA *gbd, long expected_type, const char *fieldname) { gb_assert(expected_type != GB_FIND); // impossible long type = GB_TYPE(gbd); if (type != expected_type) { GB_export_errorf("Field '%s' has wrong type (found=%li, expected=%li)", fieldname, type, expected_type); gbd = 0; } return gbd; } GBDATA *GB_searchOrCreate_string(GBDATA *gb_container, const char *fieldpath, const char *default_value) { GBDATA *gb_str = GB_search(gb_container, fieldpath, GB_FIND); if (!gb_str) { gb_str = GB_search(gb_container, fieldpath, GB_STRING); GB_ERROR error; if (!gb_str) error = GB_await_error(); else error = GB_write_string(gb_str, default_value); if (error) { gb_str = 0; GB_export_error(error); } } else { gb_str = gb_expect_type(gb_str, GB_STRING, fieldpath); } return gb_str; } GBDATA *GB_searchOrCreate_int(GBDATA *gb_container, const char *fieldpath, long default_value) { GBDATA *gb_int = GB_search(gb_container, fieldpath, GB_FIND); if (!gb_int) { gb_int = GB_search(gb_container, fieldpath, GB_INT); GB_ERROR error; if (!gb_int) error = GB_await_error(); else error = GB_write_int(gb_int, default_value); if (error) { gb_int = 0; GB_export_error(error); } } else { gb_int = gb_expect_type(gb_int, GB_INT, fieldpath); } return gb_int; } GBDATA *GB_searchOrCreate_float(GBDATA *gb_container, const char *fieldpath, double default_value) { GBDATA *gb_float = GB_search(gb_container, fieldpath, GB_FIND); if (!gb_float) { gb_float = GB_search(gb_container, fieldpath, GB_FLOAT); GB_ERROR error; if (!gb_float) error = GB_await_error(); else error = GB_write_float(gb_float, default_value); if (error) { gb_float = 0; GB_export_error(error); } } else { gb_float = gb_expect_type(gb_float, GB_FLOAT, fieldpath); } return gb_float; } /******************************************************************************************** Search for select syb entries ********************************************************************************************/ GBDATA *gb_search_marked(GBCONTAINER *gbc, GBQUARK key_quark, int firstindex) { int userbit = GBCONTAINER_MAIN(gbc)->users[0]->userbit; int index; int end = gbc->d.nheader; struct gb_header_list_struct *header = GB_DATA_LIST_HEADER(gbc->d); for (index = firstindex; index=0) && ((int)header[index].flags.key_quark != key_quark) ) continue; if ((int)header[index].flags.changed >= gb_deleted) continue; if ((gb=GB_HEADER_LIST_GBD(header[index]))==NULL) { gb_unfold( gbc, 0, index); header = GB_DATA_LIST_HEADER(gbc->d); gb = GB_HEADER_LIST_GBD(header[index]); } return gb; } return NULL; } GBDATA *GB_search_last_son(GBDATA *gbd){ GBCONTAINER *gbc = (GBCONTAINER *)gbd; int index; int end = gbc->d.nheader; GBDATA *gb; struct gb_header_list_struct *header = GB_DATA_LIST_HEADER(gbc->d); for (index = end-1; index>=0; index--){ if ((int)header[index].flags.changed >= gb_deleted) continue; if ((gb=GB_HEADER_LIST_GBD(header[index]))==NULL) { gb_unfold( gbc, 0, index); header = GB_DATA_LIST_HEADER(gbc->d); gb = GB_HEADER_LIST_GBD(header[index]); } return gb; } return NULL; } long GB_number_of_marked_subentries(GBDATA *gbd){ GBCONTAINER *gbc = (GBCONTAINER *)gbd; int userbit = GBCONTAINER_MAIN(gbc)->users[0]->userbit; int index; int end = gbc->d.nheader; struct gb_header_list_struct *header; long count = 0; header = GB_DATA_LIST_HEADER(gbc->d); for (index = 0; index= gb_deleted) continue; count++; } return count; } GBDATA *GB_first_marked(GBDATA *gbd, const char *keystring){ GBCONTAINER *gbc = (GBCONTAINER *)gbd; GBQUARK key_quark; if (keystring) { key_quark = GB_key_2_quark(gbd,keystring); }else{ key_quark = -1; } GB_TEST_TRANSACTION(gbd); return gb_search_marked(gbc,key_quark, 0); } GBDATA *GB_next_marked(GBDATA *gbd, const char *keystring) { GBCONTAINER *gbc = GB_FATHER(gbd); GBQUARK key_quark; if (keystring) { key_quark = GB_key_2_quark(gbd,keystring); }else{ key_quark = -1; } GB_TEST_TRANSACTION(gbd); return gb_search_marked(gbc,key_quark, (int)gbd->index+1); } /******************************************************************************************** Command Interpreter ********************************************************************************************/ void gb_install_command_table(GBDATA *gb_main,struct GBL_command_table *table) { GB_MAIN_TYPE *Main = GB_MAIN(gb_main); if (!Main->command_hash) Main->command_hash = GBS_create_hash(1024, GB_IGNORE_CASE); for (; table->command_identifier; table++) { GBS_write_hash(Main->command_hash,table->command_identifier,(long)table->function); } } /*************** Run commands *************************/ char *gbs_search_second_x(const char *str) { int c; for (;(c=*str);str++) { if (c=='\\') { /* escaped characters */ str++; if (!(c=*str)) return NULL; continue; } if (c=='"') return (char *)str; } return NULL; } char *gbs_search_second_bracket(const char *source) { int c; int deep = 0; if (*source != '(') deep --; /* first bracket */ for (;(c=*source);source++){ if (c=='\\') { /* escaped characters */ source++; if (!*source) break; continue; } if(c=='(') deep--; else if (c==')') deep++; if (!deep) return (char *)source; if (c=='"') { /* search the second " */ source = gbs_search_second_x(source); if (!source) return NULL; } } if (!c) return NULL; return (char *)source; } char *gbs_search_next_seperator(const char *source,const char *seps){ /* search the next separator */ static char tab[256]; static int flag = 0; int c; const char *p; if (!flag) { flag = 1; memset(tab,0,256); } for (p = seps; (c=*p);p++) tab[c] = 1; /* tab[seps[x]] = 1 */ tab['('] = 1; /* exclude () pairs */ tab['"'] = 1; /* exclude " pairs */ tab['\\'] = 1; /* exclude \-escaped chars */ for (;(c=*source);source++){ if (tab[c]) { if (c=='\\') { source++; continue; } if (c=='(') { source = gbs_search_second_bracket(source); if (!source) break; continue; } if (c=='"') { source = gbs_search_second_x(source+1); if (!source) break; continue; } for (p = seps; (c=*p);p++) tab[c] = 0; return (char *)source; } } for (p = seps; (c=*p);p++) tab[c] = 0; /* clear tab */ return NULL; } static void dumpStreams(const char *name, int count, const GBL *args) { printf("%s=%i\n", name, count); if (count > 0) { int c; for (c = 0; c4); if (len>wanted_len) { static char *shortened_str; static size_t short_len = 0; if (short_len >= wanted_len) { memcpy(shortened_str, str, wanted_len-4); } else { freeset(shortened_str, GB_strpartdup(str, str+wanted_len)); short_len = wanted_len; } strcpy(shortened_str+wanted_len-4, "[..]"); result = shortened_str; } else { result = str; } return result; } #if defined(DEVEL_RALF) #warning rewrite GB_command_interpreter (error+ressource handling) #endif /* DEVEL_RALF */ char *GB_command_interpreter(GBDATA *gb_main, const char *str, const char *commands, GBDATA *gbd, const char *default_tree_name) { /* simple command interpreter returns NULL on error (+ GB_export_error) * if first character is == ':' run string parser * if first character is == '/' run regexpr * else command interpreter */ int strmalloc = 0; int len; char *buffer; GB_ERROR error; int i; int argcinput; int argcparam; int argcout; char *bracket; GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GBL morig[GBL_MAX_ARGUMENTS]; GBL min[GBL_MAX_ARGUMENTS]; GBL mout[GBL_MAX_ARGUMENTS]; GBL *orig = & morig[0]; GBL *in = & min[0]; GBL *out = & mout[0]; int trace = GB_get_ACISRT_trace(); if (!str) { if (!gbd) { GB_export_error("ACI: no input streams found"); return NULL; } str = GB_read_as_string(gbd); strmalloc = 1; } if (trace) { printf("GB_command_interpreter: str='%s'\n" " command='%s'\n", str, commands); } if (!commands || !commands[0]) { /* empty command -> do not modify string */ if (!strmalloc) return strdup(str); return (char *)str; } if (commands[0] == ':') { /* ':' -> string parser */ return GBS_string_eval(str,commands+1,gbd); } if (commands[0] == '/') { /* regular expression */ GB_ERROR err = 0; char *result = GBS_regreplace(str, commands, &err); if (!result) { if (strcmp(err, "Missing '/' between search and replace string") == 0) { /* if GBS_regreplace didn't find a third '/' -> silently use GBS_regmatch: */ size_t matchlen; err = 0; const char *matched = GBS_regmatch(str, commands, &matchlen, &err); if (matched) result = GB_strndup(matched, matchlen); else if (!err) result = strdup(""); } if (!result && err) result = GBS_global_string_copy("", err); } return result; } /*********************** init ********************/ gb_local->gbl.gb_main = gb_main; len = strlen(commands)+1; buffer = strdup(commands); /*********************** remove all spaces and tabs ********************/ { const char *s1; char *s2; s1 = commands; s2 = buffer; { int c; for (; (c= *s1); s1++){ if (c=='\\') { *(s2++) = c; if (!(c=*++s1)) { break; } *(s2++) = c; continue; } if (c=='"' ) { /* search the second " */ const char *hp = gbs_search_second_x(s1+1); if (!hp){ GB_export_errorf("unbalanced '\"' in '%s'",commands); return NULL; } while (s1 <= hp) *(s2++) = *(s1++); s1--; continue; } if (c!=' ' && c!='\t') *(s2++) = c; } } *s2 = 0; } memset( (char *)orig,0,sizeof(GBL)*GBL_MAX_ARGUMENTS); memset( (char *)in,0,sizeof(GBL)*GBL_MAX_ARGUMENTS); memset( (char *)out,0,sizeof(GBL)*GBL_MAX_ARGUMENTS); if (strmalloc) { orig[0].str = (char *)str; }else{ orig[0].str = strdup(str); } argcinput = 1; argcout = 0; error = 0; { char *s1,*s2; s1 = buffer; if (*s1 == '|') s1++; /*** loop over all commands ***/ for (s1 = s1; s1 ; s1 = s2) { int seperator; GBL_COMMAND command; s2= gbs_search_next_seperator(s1,"|;,"); if (s2) { seperator = *(s2); *(s2++) = 0; }else{ seperator = 0; } /* collect the parameters */ memset((char*)in,0,sizeof(GBL)*GBL_MAX_ARGUMENTS); if (*s1 == '"') { /* copy "text" to out */ char *end = gbs_search_second_x(s1+1); if (!end) { error = "Missing second '\"'"; break; } *end = 0; out[argcout++].str = strdup(s1+1); } else { argcparam = 0; bracket = strchr(s1,'('); if (bracket){ /* I got the parameter list */ int slen; *(bracket++) = 0; slen = strlen(bracket); if (bracket[slen-1] != ')') { error = "Missing ')'"; }else{ /* go through the parameters */ char *p1,*p2; bracket[slen-1] = 0; for (p1 = bracket; p1 ; p1 = p2) { p2 = gbs_search_next_seperator(p1,";,"); if (p2) { *(p2++) = 0; } if (p1[0] == '"') { /* remove "" pairs */ int len2; p1++; len2 = strlen(p1)-1; if (p1[len2] != '\"') { error = "Missing '\"'"; } else { p1[len2] = 0; } } in[argcparam++].str = strdup(p1); } } if (error) break; } if (!error && ( bracket || *s1) ) { char *p = s1; int c; while ( (c = *p) ) { /* command to lower case */ if (c>='A' && c<='Z') { c += 'a'-'A'; *p = c; } p++; } command = (GBL_COMMAND)GBS_read_hash(Main->command_hash,s1); if (!command) { error = GBS_global_string("Unknown command '%s'", s1); } else { GBL_command_arguments args; args.gb_ref = gbd; args.default_tree_name = default_tree_name; args.command = s1; args.cinput = argcinput; args.vinput = orig; args.cparam = argcparam; args.vparam = in; args.coutput = &argcout; args.voutput = &out; if (trace) { printf("-----------------------\nExecution of command '%s':\n", args.command); dumpStreams("Arguments", args.cparam, args.vparam); dumpStreams("InputStreams", args.cinput, args.vinput); } error = command(&args); /* execute the command */ if (!error && trace) dumpStreams("OutputStreams", *args.coutput, *args.voutput); if (error) { char *inputstreams = 0; char *paramlist = 0; int j; #define MAX_PRINT_LEN 200 for (j = 0; j' in the past */ } else if (argcout ==1) { s1 = out[0].str; } else{ /* concatenate output strings */ void *strstruct = GBS_stropen(1000); for (i=0;i #include #include #include "arbdb.h" #include "arbdbt.h" /* -------------------------------------------------------------------------------- reverse complement functions */ char GBT_complementNucleotide(char c, char T_or_U) { char n = c; switch (c) { case 'A': n = T_or_U; break; /* A <-> TU */ case 'a': n = tolower(T_or_U); break; case 'U': case 'T': n = 'A'; break; case 'u': case 't': n = 'a'; break; case 'C': n = 'G'; break; /* C <-> G */ case 'c': n = 'g'; break; case 'G': n = 'C'; break; case 'g': n = 'c'; break; case 'M': n = 'K'; break; /* M=A/C <-> TU/G=K */ case 'm': n = 'k'; break; case 'K': n = 'M'; break; case 'k': n = 'm'; break; case 'R': n = 'Y'; break; /* R=A/G <-> TU/C=Y */ case 'r': n = 'y'; break; case 'Y': n = 'R'; break; case 'y': n = 'r'; break; case 'V': n = 'B'; break; /* V=A/C/G <-> TU/G/C=B */ case 'v': n = 'b'; break; case 'B': n = 'V'; break; case 'b': n = 'v'; break; case 'H': n = 'D'; break; /* H=A/C/TU <-> TU/G/A=D */ case 'h': n = 'd'; break; case 'D': n = 'H'; break; case 'd': n = 'h'; break; case 'S': /* S=C/G <-> G/C=S */ case 's': case 'W': /* W=A/TU <-> TU/A=W */ case 'w': case 'N': /* N=A/C/G/TU */ case 'n': case '.': case '-': break; default: break; } return n; } char *GBT_reverseNucSequence(const char *s, int len) { char *n = (char*)malloc(len+1); int p; if (!n) { GB_memerr(); return 0; } len--; for (p=0; len>=0; p++,len--) { n[p] = s[len]; } n[p] = 0; return n; } char *GBT_complementNucSequence(const char *s, int len, char T_or_U) { char *n = (char*)malloc(len+1); int p; for (p=0; p #include #include #include #include /* #include */ #include #include #include #include /*#include "arbdb.h"*/ #include "adlocal.h" #include "admap.h" GB_MAIN_TYPE *gb_main_array[GB_MAIN_ARRAY_SIZE]; /******************************************************************************************** Versions: ASCII V0 - 20.6.95 V1 Full save V2 Differential save ********************************************************************************************/ char *gb_findExtension(char *path) { char *punkt = strrchr(path, '.'); if (punkt) { char *slash = strchr(punkt,'/'); if (slash) punkt = 0; // slash after '.' -> no extension } return punkt; } /* * CAUTION!!! * * The following functions (quicksaveName, oldQuicksaveName, mapfile_name, gb_overwriteName) * use static buffers for the created filenames. * * So you have to make sure, to use only one instance of every of these * functions or to dup the string before using the second instance * */ GB_CSTR gb_oldQuicksaveName(GB_CSTR path, int nr) { static char *qname = 0; char *ext; size_t len = strlen(path); STATIC_BUFFER(qname,len+15); strcpy(qname,path); ext = gb_findExtension(qname); if (!ext) ext = qname + len; if (nr==-1) sprintf(ext,".arb.quick?"); else sprintf(ext,".arb.quick%i", nr); return qname; } GB_CSTR gb_quicksaveName(GB_CSTR path,int nr) { static char *qname = 0; char *ext; STATIC_BUFFER(qname,strlen(path)+4); strcpy(qname,path); ext = gb_findExtension(qname); if (!ext){ ext = qname + strlen(qname); } if (nr==-1) sprintf(ext,".a??"); else sprintf(ext,".a%02i", nr); return qname; } GB_CSTR gb_mapfile_name(GB_CSTR path) { static char *mapname = 0; char *ext; STATIC_BUFFER(mapname,strlen(path)+4+1); strcpy(mapname,path); ext = gb_findExtension(mapname); if (!ext) ext = mapname + strlen(mapname); strcpy(ext,".ARM"); return mapname; } GB_CSTR gb_overwriteName(GB_CSTR path) { static char *oname = 0; int len = strlen(path); STATIC_BUFFER(oname, len+2); strcpy(oname,path); strcpy(oname+len, "~"); // append ~ return oname; } GB_CSTR gb_reffile_name(GB_CSTR path) { static char *refname; size_t len = strlen(path); const char *ext; size_t ext_offset; STATIC_BUFFER(refname, len+4+1); memcpy(refname, path, len+1); ext = gb_findExtension(refname); ext_offset = ext ? (size_t)(ext-refname) : len; strcpy(refname+ext_offset, ".ARF"); return refname; } GB_ERROR gb_delete_reference(const char *master) { GB_ERROR error = 0; char *fullmaster = gb_full_path(master); const char *fullref = gb_reffile_name(fullmaster); GB_unlink_or_warn(fullref, &error); free(fullmaster); return error; } GB_ERROR gb_create_reference(const char *master){ char *fullmaster = gb_full_path(master); const char *fullref = gb_reffile_name(fullmaster); GB_ERROR error = 0; FILE *out = fopen(fullref,"w"); if (out) { fprintf(out,"***** The following files may be a link to %s ********\n",fullmaster); fclose(out); GB_set_mode_of_file(fullref,00666); } else { error = GB_export_errorf("WARNING: Cannot create file '%s'\n" " Your database is saved, but you should check write permissions\n" " in the destination directory", fullref); } free(fullmaster); return error; } GB_ERROR gb_add_reference(char *master, char *changes){ char *fullmaster = gb_full_path(master); char *fullchanges = gb_full_path(changes); const char *fullref = gb_reffile_name(fullmaster); GB_ERROR error = 0; FILE *out = fopen(fullref,"a"); if (out) { fprintf(out,"%s\n",fullchanges); fclose(out); GB_set_mode_of_file(fullref,00666); } else { error = GB_export_errorf("Cannot add your file '%s'\n" " to the list of references of '%s'\n" " Please ask the owner of that file not to delete it\n" " or save the entire database (that's recommended!)", fullchanges,fullref); } free(fullchanges); free(fullmaster); return error; } static GB_ERROR gb_remove_quick_saved(GB_MAIN_TYPE *Main, const char *path) { int i; GB_ERROR error = 0; for (i=0; iqs.last_index = -1; return error; } GB_ERROR gb_remove_all_but_main(GB_MAIN_TYPE *Main, const char *path){ GB_ERROR error = 0; error = gb_remove_quick_saved(Main,path); if (!error) GB_unlink_or_warn(gb_mapfile_name(path), &error); /* delete old mapfile */ return error; } /* * If we did a hundred quicksaves, we rename the quicksave-files to a00...a09 * to keep MS-DOS-compatibility */ static GB_ERROR renameQuicksaves(GB_MAIN_TYPE *Main) { int i, j; GB_ERROR error = NULL; const char *path = Main->path; while(1) { for (i=0,j=0; i ok */ i = 0; while (j>GB_MAX_QUICK_SAVES) /* otherwise delete files from lower numbers till there * are only GB_MAX_QUICK_SAVES left */ { GB_CSTR qsave = gb_quicksaveName(path,i); if (GB_is_regularfile(qsave)) remove(qsave); j--; i++; } } Main->qs.last_index = j-1; return error; } static GB_ERROR deleteSuperfluousQuicksaves(GB_MAIN_TYPE *Main) { int cnt = 0; int i; char *path = Main->path; GB_ERROR error = 0; for (i=0; iGB_MAX_QUICK_SAVES && iflags.compressed_data = c; if (*s == ':') { size = 0; s++; }else{ for (i=0,k = 8;k && (c = *(s++));k--) { A_TO_I(c); i = (i<<4)+c; } size = i; } source = s; while ( (c = *(s++)) ) { if ((c == '.') || (c=='-')) { len++; continue; } if ((c == ':') || (c=='=')) { len += 2; continue; } if (!(c = *(s++))) { return 1; }; len++; } memsize = len; GB_SETSMDMALLOC_UNINITIALIZED(gbd,size,memsize); d = GB_GETDATA(gbd); s = source; while ( (c = *(s++)) ) { if (c == '.') { *(d++)=0; continue; } if (c == ':') { *(d++)=0; *(d++)=0; continue; } if (c == '-') { *(d++)= 0xff; continue; } if (c == '=') { *(d++)= 0xff; *(d++)= 0xff; continue; } A_TO_I(c); i = c << 4; c = *(s++); A_TO_I(c); *(d++) = (char)(i + c); } return 0; } /******************************************************************************************** Binary to Ascii ********************************************************************************************/ #define GB_PUT(c,out) if(c>=10) c+='A'-10; else c+= '0'; *(out++) = (char)c; GB_BUFFER gb_bin_2_ascii(GBDATA *gbd) { signed char *s, *out, c, mo; unsigned long i; int j; char *buffer; int k; char *source = GB_GETDATA(gbd); long len = GB_GETMEMSIZE(gbd); long xtended = GB_GETSIZE(gbd); int compressed = gbd->flags.compressed_data; buffer = GB_give_buffer(len * 2 + 10); out = (signed char * )buffer; s = (signed char *)source, mo = -1; GB_PUT(compressed,out); if (!xtended) { *(out++) = ':'; }else{ for (i = 0xf0000000,j=28;j>=0;j-=4,i=i>>4) { k = (int)((xtended & i)>>j); GB_PUT(k, out); } } for (i = len; i; i--) { if (!(c = *(s++))) { if ((i > 1) && !*s) { *(out++) = ':'; s ++; i--; continue; } *(out++) = '.'; continue; } if (c == mo) { if ((i > 1) && (*s == -1)) { *(out++) = '='; s ++; i--; continue; } *(out++) = '-'; continue; } j = ((unsigned char) c) >> 4; GB_PUT(j, out); j = c & 15; GB_PUT(j, out); } *(out++) = 0; return buffer; } /******************************************************************************************** Write Ascii File ********************************************************************************************/ #define GB_PUT_OUT(c,out) if(c>=10) c+='A'-10; else c+= '0'; putc(c,out); long gb_test_sub(GBDATA *gbd) { gbd = gbd; return 0; } /* only used for saving ASCII database */ static long gb_write_rek(FILE *out,GBCONTAINER *gbc,long deep,long big_hunk) { long i; char *s; char c; GBDATA *gb; GB_CSTR strng; char *key; for (gb = GB_child((GBDATA *)gbc); gb; gb = GB_nextChild(gb)) { if (gb->flags.temporary) continue; key = GB_KEY(gb); if (!strcmp(key,GB_SYSTEM_FOLDER)) continue; /* do not save system folder */ for (i=deep;i--;) putc('\t',out); fprintf(out,"%s\t",key); if ((int)strlen(key) < 8){ putc('\t',out); } if ( gb->flags.security_delete || gb->flags.security_write || gb->flags.security_read || gb->flags2.last_updated ){ putc(':',out); c = gb->flags.security_delete; GB_PUT_OUT(c,out); c = gb->flags.security_write; GB_PUT_OUT(c,out); c = gb->flags.security_read; GB_PUT_OUT(c,out); fprintf(out,"%i\t",gb->flags2.last_updated); }else{ putc('\t',out); } switch (GB_TYPE(gb)) { case GB_STRING: strng = GB_read_char_pntr(gb); if (!strng) { strng = ""; GB_warningf("- replaced broken DB entry %s (data lost)\n", GB_get_db_path(gb)); } if (*strng == '%') { putc('%',out); putc('s',out); putc('\t',out); } GBS_fwrite_string(strng,out); putc('\n',out); break; case GB_LINK: strng = GB_read_link_pntr(gb); if (*strng == '%') { putc('%',out); putc('l',out); putc('\t',out); } GBS_fwrite_string(strng,out); putc('\n',out); break; case GB_INT: fprintf(out,"%%i %li\n",GB_read_int(gb)); break; case GB_FLOAT: fprintf(out,"%%f %g\n",GB_read_float(gb)); break; case GB_BITS: fprintf(out,"%%I\t\"%s\"\n", GB_read_bits_pntr(gb,'-','+')); break; case GB_BYTES: s = gb_bin_2_ascii(gb); fprintf(out,"%%Y\t%s\n",s); break; case GB_INTS: s = gb_bin_2_ascii(gb); fprintf(out,"%%N\t%s\n",s); break; case GB_FLOATS: s = gb_bin_2_ascii(gb); fprintf(out,"%%F\t%s\n",s); break; case GB_DB: fprintf(out, "%%%% (%%\n"); gb_write_rek(out, (GBCONTAINER *)gb, deep + 1, big_hunk); for (i=deep+1;i--;) putc('\t',out); fprintf(out, "%%) /*%s*/\n\n", GB_KEY(gb)); break; case GB_BYTE: fprintf(out,"%%y %i\n",GB_read_byte(gb)); break; default: fprintf(stderr, "ARBDB ERROR Key \'%s\' is of unknown type\n", GB_KEY(gb)); fprintf(out, "%%%% (%% %%) /* unknown type */\n"); break; } }/*while*/ return 0; } /******************************************************************************************** Read Binary File ********************************************************************************************/ long gb_read_in_long(FILE *in,long reversed) { long sdata = 0; char *p = (char *)&sdata; if (!reversed) { *(p++) = getc(in); *(p++) = getc(in); *(p++) = getc(in); *(p) = getc(in); } else { p[3] = getc(in); p[2] = getc(in); p[1] = getc(in); p[0] = getc(in); } return sdata; } long gb_read_number(FILE *in) { unsigned int c0,c1,c2,c3,c4; c0 = getc(in); if (c0 & 0x80){ c1 = getc(in); if (c0 & 0x40) { c2 = getc(in); if (c0 & 0x20) { c3 = getc(in); if (c0 &0x10) { c4 = getc(in); return c4 | (c3<<8) | (c2<<16) | (c1<<8); }else{ return (c3) | (c2<<8 ) | (c1<<16) | ((c0 & 0x0f)<<24); } }else{ return (c2) | (c1<<8) | ((c0 & 0x1f)<<16); } }else{ return (c1) | ((c0 & 0x3f)<<8); } }else{ return c0; } } void gb_put_number(long i, FILE *out) { long j; if (i< 0x80 ){ putc((int)i,out);return; } if (i<0x4000) { j = (i>>8) | 0x80; putc((int)j,out); putc((int)i,out); return; } if (i<0x200000) { j = (i>>16) | 0xC0; putc((int)j,out); j = (i>>8); putc((int)j,out); putc((int)i,out); return; } if (i<0x10000000) { j = (i>>24) | 0xE0; putc((int)j,out); j = (i>>16); putc((int)j,out); j = (i>>8); putc((int)j,out); putc((int)i,out); return; } } long gb_read_bin_error(FILE *in,GBDATA *gbd,const char *text) { long p = (long)ftell(in); GB_export_errorf("%s in reading GB_file (loc %li=%lX) reading %s\n", text,p,p,GB_KEY(gbd)); GB_print_error(); return 0; } /******************************************************************************************** Write Binary File ********************************************************************************************/ long gb_write_out_long(long data, FILE *out) { long sdata[1]; char *p = (char *)sdata,c; sdata[0] = data; c = *(p++); putc(c,out); c = *(p++); putc(c,out); c = *(p++); putc(c,out); c = *(p); putc(c,out); return 0; } /** Test whether to write any data to disc. version 1 write only latest data version 2 write deleted entries two (which are not already stored to master file !!! try to avoid to access gbd, keep it swap out */ int gb_is_writeable(struct gb_header_list_struct *header, GBDATA *gbd, long version, long diff_save) { if (version == 2 && header->flags.changed==gb_deleted) return 1; /* save delete flag */ if (!gbd) return 0; if (diff_save) { if (!header->flags.ever_changed) return 0; if (!gbd->ext || (gbd->ext->update_dateext->creation_date < diff_save)) return 0; } if (gbd->flags.temporary) return 0; return 1; } int gb_write_bin_sub_containers(FILE *out,GBCONTAINER *gbc,long version,long diff_save, int is_root){ struct gb_header_list_struct *header; int i,index; int counter; header = GB_DATA_LIST_HEADER(gbc->d); for (i=0, index = 0; index < gbc->d.nheader; index++) { if (gb_is_writeable(&(header[index]),GB_HEADER_LIST_GBD(header[index]),version,diff_save)) i++; } if (!is_root){ gb_put_number(i,out); }else{ gb_write_out_long(i,out); } counter = 0; for (index = 0; index < gbc->d.nheader; index++){ GBDATA *h_gbd; if (header[index].flags.changed == gb_deleted_in_master){ /* count deleted items in master, because of index renaming */ counter ++; continue; } h_gbd = GB_HEADER_LIST_GBD(header[index]); if(!gb_is_writeable(&(header[index]),h_gbd,version,diff_save)) { /* mark deleted in master */ if (version <= 1 && header[index].flags.changed == gb_deleted) { header[index].flags.changed = gb_deleted_in_master; } continue; } if (h_gbd) { i = (int)gb_write_bin_rek(out,h_gbd,version,diff_save,index-counter); if (i) return i; }else{ if (header[index].flags.changed == gb_deleted ) { putc(0,out); putc(1,out); gb_put_number(index - counter,out); } } } return 0; } long gb_write_bin_rek(FILE *out,GBDATA *gbd,long version, long diff_save, long index_of_master_file) { int i; GBCONTAINER *gbc = 0; long size = 0; int type = GB_TYPE(gbd); if (type == GB_DB) { gbc = (GBCONTAINER *)gbd; } else if (type == GB_STRING || type == GB_STRING_SHRT) { size = GB_GETSIZE(gbd); if (!gbd->flags.compressed_data && size < GBTUM_SHORT_STRING_SIZE) { type = GB_STRING_SHRT; } else { type = GB_STRING; } } i = (type<<4) + (gbd->flags.security_delete<<1) + (gbd->flags.security_write>>2); putc(i,out); i = ((gbd->flags.security_write &3) <<6) + (gbd->flags.security_read<<3) + (gbd->flags.compressed_data<<2) + ((GB_ARRAY_FLAGS(gbd).flags&1)<<1) + (gbd->flags.unused); putc(i,out); gb_put_number(GB_ARRAY_FLAGS(gbd).key_quark,out); if (diff_save) { gb_put_number(index_of_master_file,out); } i = gbd->flags2.last_updated; putc(i,out); if (type == GB_STRING_SHRT) { const char *data = GB_GETDATA(gbd); size_t len = strlen(data); // w/o zero-byte! if ((long)len == size) { i = fwrite(data, len+1, 1, out); return i <= 0 ? -1 : 0; } // string contains zero-byte inside data or misses trailing zero-byte type = GB_STRING; // fallback to safer type } switch(type) { case GB_DB: i = gb_write_bin_sub_containers(out,gbc,version,diff_save,0); return i; case GB_INT:{ GB_UINT4 buffer = (GB_UINT4)htonl(gbd->info.i); if (!fwrite((char *)&buffer,sizeof(float),1,out)) return -1; return 0; } case GB_FLOAT: if (!fwrite((char *)&gbd->info.i,sizeof(float),1,out)) return -1; return 0; case GB_LINK: case GB_BITS: case GB_BYTES: case GB_INTS: case GB_FLOATS: size = GB_GETSIZE(gbd); // fall-through case GB_STRING: { long memsize = GB_GETMEMSIZE(gbd); gb_put_number(size,out); gb_put_number(memsize,out); i = fwrite(GB_GETDATA(gbd),(size_t)memsize,1,out); if (memsize && !i) return -1; return 0; } case GB_BYTE: putc((int)(gbd->info.i),out); return 0; default: gb_assert(0); // unknown type return -1; } } /** version 1 write master arb file version 2 write slave arb file */ int gb_write_bin(FILE *out,GBDATA *gbd,long version){ long i; GBCONTAINER *gbc = (GBCONTAINER *)gbd; int diff_save = 0; GB_MAIN_TYPE *Main = GBCONTAINER_MAIN(gbc); gb_write_out_long(GBTUM_MAGIC_NUMBER,out); fprintf(out,"\n this is the binary version of the gbtum data file version %li\n",version); putc(0,out); fwrite("vers",4,1,out); gb_write_out_long(0x01020304,out); gb_write_out_long(version,out); fwrite("keys",4,1,out); for (i=1;ikeycnt;i++) { if (Main->keys[i].nref>0) { gb_put_number(Main->keys[i].nref,out); fprintf(out,"%s",Main->keys[i].key); }else{ putc(0,out); /* 0 nref */ putc(1,out); /* empty key */ } putc(0,out); } putc(0,out); putc(0,out); fwrite("time",4,1,out);{ unsigned int k; for (k=0;klast_updated;k++) { fprintf(out,"%s",Main->dates[k]); putc(0,out); } } putc(0,out); fwrite("data",4,1,out); if (version == 2) diff_save = (int)Main->last_main_saved_transaction+1; return gb_write_bin_sub_containers(out,gbc,version,diff_save,1); } /******************************************************************************************** SAVE DATABASE ********************************************************************************************/ GB_ERROR GB_save(GBDATA *gb,const char *path,const char *savetype) /* * savetype 'a' ascii * 'aS' dump to stdout * 'b' binary * 'bm' binary + mapfile * 0 ascii */ { if (path && strchr(savetype, 'S') == 0) // 'S' dumps to stdout -> do not change path { freedup(GB_MAIN(gb)->path, path); } return GB_save_as(gb,path,savetype); } GB_ERROR GB_create_directory(const char *path) { GB_ERROR error = 0; if (!GB_is_directory(path)) { char *parent; GB_split_full_path(path, &parent, NULL, NULL, NULL); if (parent) { if (!GB_is_directory(parent)) error = GB_create_directory(parent); free(parent); } if (!error && !GB_is_directory(path)) { int res = mkdir(path, ACCESSPERMS); if (res) error = GB_export_IO_error("creating directory", path); } gb_assert(error || GB_is_directory(path)); error = GB_failedTo_error("GB_create_directory", path, error); } return error; } GB_ERROR GB_save_in_home(GBDATA *gb,const char *path,const char *savetype) /* * savetype 'a' ascii * 'b' binary * 'bm' binary + mapfile * 0=ascii * * creates subdirectories too */ { GB_ERROR error = 0; char *buffer; const char *env; char *slash; /* char *buf2; */ env = GB_getenvHOME(); if(!path) path = GB_MAIN(gb)->path; buffer = (char *)GB_calloc(sizeof(char),strlen(env)+ strlen(path) + 2); sprintf(buffer,"%s/%s",env,path); slash = strrchr(buffer,'/'); *slash = 0; error = GB_create_directory(buffer); *slash = '/'; if (!error) error = GB_save_as(gb,buffer,savetype); if (buffer) free(buffer); return error; } #if defined(DEVEL_RALF) #warning rewrite error handling in GB_save_as, GB_save_quick_as, GB_save_quick, gb_check_saveable #endif /* DEVEL_RALF */ /** Save whole database */ GB_ERROR GB_save_as(GBDATA *gb,const char *path,const char *savetype) /* * savetype 'a' ascii * 'b' binary * 'm' save mapfile too (only with binary) * 'f' force saving even in disabled path to a different directory (out of order save) * 'S' save to stdout (for debugging) * 0=ascii * */ { FILE *out; long erg =0; int slevel; int translevel; char *sec_path = NULL; GB_CSTR map_path = NULL; GB_MAIN_TYPE *Main = GB_MAIN(gb); int deleteQuickAllowed = savetype==NULL || strchr(savetype, 'f')==NULL; int dump_to_stdout = 0; if (gb == NULL) return NULL; gb = (GBDATA *)Main->data; if (path == NULL) path = Main->path; if (!path || !strlen(path) ) { GB_export_error("Please specify a file name"); goto error; } if (gb_check_saveable(gb,path,savetype)) goto error; sec_path = strdup(gb_overwriteName(path)); if (strchr(savetype,'S')) { out = stdout; dump_to_stdout = 1; } else if ((out = fopen(sec_path, "w")) == NULL) { GB_export_IO_error("saving",sec_path); /* printf(" file %s could not be opened for writing \n", sec_path); */ /* GB_export_error("ARBDB ERROR: Cannot save file to '%s'",sec_path); */ goto error; } slevel = Main->security_level; translevel = Main->transaction; if (!translevel) Main->transaction = 1; else { if (translevel> 0 ) { GB_commit_transaction(gb); GB_begin_transaction(gb); } } Main->security_level = 7; if (!savetype || strchr(savetype,'a')) /* ASCII */ { fprintf(out,"/*ARBDB ASCII*/\n"); erg = gb_write_rek(out,(GBCONTAINER *)gb,0,1); if (erg==0) { freedup(Main->qs.quick_save_disabled, "Database saved in ASCII mode"); if (deleteQuickAllowed && gb_remove_all_but_main(Main,path)) goto error; } } else if (strchr(savetype,'b')) /* binary */ { /* it's necessary to save the mapfile FIRST, cause this re-orders all GB_CONTAINERs * containing NULL-entries in their header */ erg = 0; if (strchr(savetype,'m')) { map_path = gb_mapfile_name(path); erg |= gb_save_mapfile(Main,map_path); /* save mapfile */ erg |= gb_write_bin(out,gb,1); /* save binary */ } else { GB_unlink_or_warn(gb_mapfile_name(path), NULL); /* delete old mapfile */ erg |= gb_write_bin(out,gb,1); /* save binary */ } if (erg==0){ if (!strchr(savetype,'f')){ /* allow quick saving unless saved in 'f' mode */ freeset(Main->qs.quick_save_disabled, NULL); /* delete reason, why quicksaving is disallowed */ } if (deleteQuickAllowed && gb_remove_quick_saved(Main,path)) goto error; } } Main->security_level = slevel; Main->transaction = translevel; erg |= fclose(out); if (erg) { GB_export_IO_error("writing", sec_path); /* GB_export_error("ARBDB: Write Error, system errno = '%i', see console", errno); */ /* perror("Write Error"); */ goto error; } if (!dump_to_stdout) { if (GB_rename_file(sec_path, path)==0){ if (map_path){ GB_CSTR overwrite_map_path = gb_overwriteName(map_path); long path_mode = GB_mode_of_file(path); if (GB_rename_file(overwrite_map_path, map_path)==0) { GB_set_mode_of_file(map_path,path_mode); /* set mapfile to same mode as binary file */ } else /* if we cannot rename the mapfile, then we delete it */ { GB_unlink_or_warn(overwrite_map_path, NULL); goto error; } } if (Main->qs.quick_save_disabled == 0){ /* do we need an ARF file ?? */ gb_create_reference(path); }else{ gb_delete_reference(path); /* delete old ARF file */ } }else{ goto error; } } freeset(sec_path, NULL); if (!strchr(savetype,'f')){ /* reset values unless out of order save */ Main->last_saved_transaction = GB_read_clock(gb); Main->last_main_saved_transaction = GB_read_clock(gb); Main->last_saved_time = GB_time_of_day(); } return NULL; error: if (sec_path) free(sec_path); return GB_get_error(); } static GB_ERROR gb_check_quick_save(GBDATA *gb_main) { /* is quick save allowed? * return NULL if allowed, error why disallowed otherwise. */ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); if (Main->qs.quick_save_disabled) { return GBS_global_string("Save Changes Disabled, because\n" " '%s'\n" " Save whole database using binary mode first", Main->qs.quick_save_disabled); } return NULL; } GB_ERROR GB_delete_database(GB_CSTR filename) { GB_ERROR error = 0; if (GB_unlink(filename)<0) error = GB_await_error(); else error = gb_remove_all_but_main(0, filename); return error; } GB_ERROR GB_save_quick_as(GBDATA *gb_main, char *path) { FILE *fmaster; long mode; char *org_master; char *full_path_of_source; GB_MAIN_TYPE *Main = GB_MAIN(gb_main); gb_main = (GBDATA *)Main->data; if (!path || !strlen(path) ) { return GB_export_error("Please specify a file name"); } if (!strcmp(path,Main->path)) return GB_save_quick(gb_main,path); /* No rename */ { GB_ERROR error = gb_check_quick_save(gb_main); if (error) return error; } if (gb_check_saveable(gb_main,path,"bn")) return GB_get_error(); fmaster = fopen( Main->path, "r" ); /* old master !!!! */ if (!fmaster){ /* Oh no, where is my old master */ return GB_export_errorf("Save Changes is missing master ARB file '%s',\n" " save database first", Main->path); } fclose(fmaster); if (GB_unlink(path)<0){ return GB_export_errorf("File '%s' already exists and cannot be deleted\n(Reason: %s)",path, GB_await_error()); }; /* delete old file */ mode = GB_mode_of_link(Main->path); /* old master */ if (S_ISLNK(mode)){ org_master = GB_follow_unix_link(Main->path); }else{ org_master = strdup(Main->path); } if( gb_remove_all_but_main(Main,path)) { free(org_master); return GB_get_error(); } mode = GB_mode_of_file(org_master); if (mode & S_IWUSR) { if (GB_set_mode_of_file(org_master,mode & ~(S_IWUSR | S_IWGRP | S_IWOTH))){ GB_warningf("!!!!!!!!! WARNING !!!!!!!\n" " Cannot set mode of file '%s'\n" " NEVER, NEVER delete or change file\n" " '%s'\n" " Best: Ask your system administrator\n" " to remove write permissions.", org_master,org_master); } } if (strchr(path,'/') || strchr(org_master,'/') ){ /* dest or source in different directory */ full_path_of_source = gb_full_path(org_master); }else{ full_path_of_source = strdup(org_master); } if (GB_symlink(full_path_of_source,path)){ free(org_master); free(full_path_of_source); return GB_get_error(); } if ((uid_t)GB_getuid_of_file(full_path_of_source) != getuid()){ GB_warningf("**** WARNING ******\n" " You now using a file '%s'\n" " which is owned by another user\n" " Please ask him not to delete this file\n" " If you don't trust him, don't save changes but\n" " the WHOLE database",full_path_of_source); } if (gb_add_reference(full_path_of_source,path)){ GB_warning(GB_get_error()); } freedup(Main->path, path); /* Symlink created -> rename allowed */ free(full_path_of_source); free(org_master); Main->qs.last_index = 0; /* Start with new quicks */ return GB_save_quick(gb_main,path); } GB_ERROR GB_save_quick(GBDATA *gb, char *refpath) { FILE *out; GB_CSTR path; GB_CSTR sec_path; long erg; int slevel; int translevel; FILE *fmaster; GB_MAIN_TYPE *Main = GB_MAIN(gb); gb = (GBDATA *)Main->data; { GB_ERROR error = gb_check_quick_save(gb); if (error) return error; } if (gb_check_saveable(gb,refpath,"q")) return GB_get_error(); if (refpath && strcmp(refpath, Main->path) ) { return GB_export_errorf("Internal ARB Error, master file rename '%s'!= '%s',\n" " save database first", refpath,Main->path); } fmaster = fopen( Main->path, "r"); if (!fmaster) /* Oh no, where is my old master */ { return GB_export_errorf("Quick save is missing master ARB file '%s',\n" " save database first", refpath); } fclose(fmaster); if (Main->local_mode == GB_FALSE) { GB_export_error("You cannot save a remote database"); GB_print_error(); return GB_get_error(); } Main->qs.last_index++; if (Main->qs.last_index >= GB_MAX_QUICK_SAVE_INDEX) renameQuicksaves(Main); path = gb_quicksaveName(Main->path, Main->qs.last_index); sec_path = gb_overwriteName(path); if ((out = fopen(sec_path, "w")) == NULL) return GB_export_errorf("ARBDB ERROR: Cannot save file to '%s'",sec_path); slevel = Main->security_level; translevel = Main->transaction; if (!translevel) Main->transaction = 1; else { if (translevel> 0 ) { GB_commit_transaction(gb); GB_begin_transaction(gb); } } Main->security_level = 7; erg = gb_write_bin(out,gb,2); Main->security_level = slevel; Main->transaction = translevel; erg |= fclose(out); if (erg!=0) return GB_export_errorf("Cannot write to '%s'",sec_path); /* was: '%s%%'",path);*/ if (GB_rename_file(sec_path,path)) return GB_get_error(); Main->last_saved_transaction = GB_read_clock(gb); Main->last_saved_time = GB_time_of_day(); return deleteSuperfluousQuicksaves(Main); } /******************************************************************************************** DISABLE DIRECTORIES ********************************************************************************************/ /** returns 0 if user is allowed to save */ char *gb_full_path(const char *path) { char *res = 0; if (path[0] == '/') res = strdup(path); else { const char *cwd = GB_getcwd(); if (path[0] == 0) res = strdup(cwd); else res = GBS_global_string_copy("%s/%s",cwd,path); } return res; } /* Check wether file can be stored at destination * a 'f' in flags means 'force', disables main->disabled_path * a 'q' in flags means 'quick save' * a 'n' in flags means destination must be empty */ GB_ERROR gb_check_saveable(GBDATA *gbd,const char *path,const char *flags){ GB_MAIN_TYPE *Main = GB_MAIN(gbd); char *fullpath; long mode; if (Main->local_mode == GB_FALSE) { GB_export_error("You cannot save a remote database, please use save button in master program"); GB_print_error(); return GB_get_error(); } if (Main->opentype == gb_open_read_only_all) { GB_export_error("Database is read only"); GB_print_error(); return GB_get_error(); } if (strchr(path,':')){ return GB_export_error( "Your database name must not contain a ':' character\n" " Choose a different name"); } fullpath = gb_full_path(path); if (Main->disabled_path && !strchr(flags,'f') ) { if (GBS_string_matches(fullpath,Main->disabled_path,GB_MIND_CASE)) { free(fullpath); return GB_export_error( "You are not allowed to save your database in this directory,\n" " Please select 'save as' and save your data to a different location"); } } // check whether destination directory exists { char *lslash = strrchr(fullpath, '/'); if (lslash) { GB_ERROR err = 0; lslash[0] = 0; if (!GB_is_directory(fullpath)) { err = GB_export_errorf("Directory '%s' doesn't exist", fullpath); } lslash[0] = '/'; if (err) return err; } } free(fullpath); if ( !strchr(flags,'q')){ mode = GB_mode_of_link(path); if (mode >=0 && !(mode & S_IWUSR)){ /* no write access -> lookes like a master file */ return GB_export_errorf( "Your selected file '%s' already exists and is write protected\n" " It looks like that your file is a master arb file which is\n" " used by some xxx.a?? quicksave databases\n" " If you want to save it nevertheless, delete it first !!!", path); } } if ( strchr(flags,'n')){ if (GB_time_of_file(path)){ return GB_export_errorf("Your destination file '%s' already exists.\n" "\tDelete it by hand first",path ); } } return 0; } void GB_disable_path(GBDATA *gbd, const char *path) { freeset(GB_MAIN(gbd)->disabled_path, path ? GBS_eval_env(path) : NULL); } ./arbsrc_9167/ARBDB/adseqcompr.c0000644012664100000130000007637711440743000016270 0ustar arb_buildcoders#include #include #include #include #include /* -------------------------------------------------------------------------------- */ #define MAX_SEQUENCE_PER_MASTER 50 /* was 18 till May 2008 */ #if defined(DEBUG) /* don't do optimize, only create tree and save to DB */ /* #define SAVE_COMPRESSION_TREE_TO_DB */ #endif /* DEBUG */ /* -------------------------------------------------------------------------------- */ typedef struct gb_seq_compr_tree { #ifdef FAKE_VTAB_PTR virtualTable *dummy_virtual; /* simulate pointer to virtual-table used in AP_tree */ #endif GBT_TREE_ELEMENTS(struct gb_seq_compr_tree); int index; /* master(inner nodes) or sequence(leaf nodes) index */ int sons; /* sons with sequence or masters (in subtree) */ } GB_CTREE; typedef struct { int len; char used[256]; unsigned char *con[256]; } GB_Consensus; typedef struct { GBDATA *gbd; int master; } GB_Sequence; typedef struct { GBDATA *gbd; int master; } GB_Master; /* -------------------------------------------------------------------------------- */ GB_Consensus *g_b_new_Consensus(long len){ GB_Consensus *gcon = (GB_Consensus *)GB_calloc(sizeof(GB_Consensus),1); int i; unsigned char *data = (unsigned char *)GB_calloc(sizeof(char)*256,len); gcon->len = len; for (i=0;i<256;i++){ gcon->con[i] = data + len*i; } return gcon; } void g_b_delete_Consensus(GB_Consensus *gcon){ free((char *)gcon->con[0]); free((char *)gcon); } void g_b_Consensus_add(GB_Consensus *gcon, unsigned char *seq, long seq_len){ int i; int li; int c; unsigned char *s; int last; unsigned char *p; int eq_count; const int max_priority = 255/MAX_SEQUENCE_PER_MASTER; /* No overflow possible */ ad_assert(max_priority >= 1); if (seq_len > gcon->len) seq_len = gcon->len; /* Search for runs */ s = seq; last = 0; eq_count = 0; for (li = i = 0; i < seq_len; i++ ){ c = *(s++); if (c == last){ continue; }else{ inc_hits: eq_count = i-li; gcon->used[c] = 1; p = gcon->con[last]; last = c; if (eq_count <= GB_RUNLENGTH_SIZE) { c = max_priority; while (li < i) p[li++] += c; }else{ c = max_priority * ( GB_RUNLENGTH_SIZE ) / eq_count; if (c){ while (li < i) p[li++] += c; }else{ while (li < i) p[li++] |= 1; } } } } if (lilen); int c; char *seq = (char *)GB_calloc(sizeof(char),gcon->len+1); memset(seq,'@',gcon->len); for (c = 1; c<256;c++){ /* Find maximum frequency of non run */ if (!gcon->used[c]) continue; s = gcon->con[c]; for (pos= 0;poslen;pos++){ if (*s > max[pos]) { max[pos] = *s; seq[pos] = c; } s++; } } free((char *)max); return seq; } int g_b_count_leafs(GB_CTREE *node){ if (node->is_leaf) return 1; node->gb_node = 0; return (g_b_count_leafs(node->leftson) + g_b_count_leafs(node->rightson)); } void g_b_put_sequences_in_container(GB_CTREE *ctree,GB_Sequence *seqs,GB_Master **masters,GB_Consensus *gcon){ if (ctree->is_leaf){ if (ctree->index >= 0) { GB_CSTR data = GB_read_char_pntr(seqs[ctree->index].gbd); long len = GB_read_string_count(seqs[ctree->index].gbd); g_b_Consensus_add(gcon,(unsigned char *)data,len); } } else if (ctree->index<0){ g_b_put_sequences_in_container(ctree->leftson,seqs,masters,gcon); g_b_put_sequences_in_container(ctree->rightson,seqs,masters,gcon); } else { GB_CSTR data = GB_read_char_pntr(masters[ctree->index]->gbd); long len = GB_read_string_count(masters[ctree->index]->gbd); g_b_Consensus_add(gcon,(unsigned char *)data,len); } } void g_b_create_master(GB_CTREE *node, GB_Sequence *seqs, GB_Master **masters, int masterCount, int *builtMasters, int my_master, const char *ali_name, long seq_len, int *aborted) { if (*aborted) { return; } if (node->is_leaf){ if (node->index >= 0) { GBDATA *gb_data = GBT_read_sequence(node->gb_node, ali_name); seqs[node->index].gbd = gb_data; seqs[node->index].master = my_master; } } else { if (node->index>=0){ masters[node->index]->master = my_master; my_master = node->index; } g_b_create_master(node->leftson,seqs,masters,masterCount,builtMasters,my_master,ali_name,seq_len, aborted); g_b_create_master(node->rightson,seqs,masters,masterCount,builtMasters,my_master,ali_name,seq_len, aborted); if (node->index>=0 && !*aborted) { /* build me */ char *data; GB_Consensus *gcon = g_b_new_Consensus(seq_len); g_b_put_sequences_in_container(node->leftson,seqs,masters,gcon); g_b_put_sequences_in_container(node->rightson,seqs,masters,gcon); data = g_b_Consensus_get_sequence(gcon); GB_write_string(masters[node->index]->gbd,data); GB_write_security_write(masters[node->index]->gbd,7); g_b_delete_Consensus(gcon); free(data); (*builtMasters)++; *aborted |= GB_status(*builtMasters/(double)masterCount); } } } /* ------------------------------------- */ /* distribute master sequences */ /* ------------------------------------- */ static void subtract_sons_from_tree(GB_CTREE *node, int subtract) { while (node) { node->sons -= subtract; node = node->father; } } static int set_masters_with_sons(GB_CTREE *node, int wantedSons, int *mcount) { if (!node->is_leaf) { if (node->sons == wantedSons) { /* insert new master */ ad_assert(node->index == -1); node->index = *mcount; (*mcount)++; subtract_sons_from_tree(node->father, node->sons-1); node->sons = 1; } else if (node->sons>wantedSons) { int lMax = set_masters_with_sons(node->leftson, wantedSons, mcount); int rMax = set_masters_with_sons(node->rightson, wantedSons, mcount); int maxSons = lMaxsons <= MAX_SEQUENCE_PER_MASTER && node->sons>maxSons) { maxSons = node->sons; } return maxSons; } } return node->sons <= MAX_SEQUENCE_PER_MASTER ? node->sons : 0; } static int maxCompressionSteps(GB_CTREE *node) { if (node->is_leaf) { return 0; } int left = maxCompressionSteps(node->leftson); int right = maxCompressionSteps(node->rightson); #if defined(SAVE_COMPRESSION_TREE_TO_DB) freeset(node->name, 0); if (node->index2 != -1) { node->name = GBS_global_string_copy("master_%03i", node->index2); } #endif /* SAVE_COMPRESSION_TREE_TO_DB */ return (left>right ? left : right) + (node->index == -1 ? 0 : 1); } static int init_indices_and_count_sons(GB_CTREE *node, int *scount, const char *ali_name) { if (node->is_leaf){ if (node->gb_node ==0 || !GBT_read_sequence(node->gb_node,(char *)ali_name)) { node->index = -1; node->sons = 0; } else { node->index = *scount; node->sons = 1; (*scount)++; } } else { node->index = -1; node->sons = init_indices_and_count_sons(node->leftson, scount, ali_name) + init_indices_and_count_sons(node->rightson, scount, ali_name); } return node->sons; } static void distribute_masters(GB_CTREE *tree, int *mcount, int *max_masters) { int wantedSons = MAX_SEQUENCE_PER_MASTER; while (wantedSons >= 2) { int maxSons = set_masters_with_sons(tree, wantedSons, mcount); wantedSons = maxSons; } ad_assert(tree->sons == 1); ad_assert(tree->index != -1); *max_masters = maxCompressionSteps(tree); } /* -------------------------------------------------------------------------------- */ static GB_INLINE long g_b_read_number2(const unsigned char **s) { unsigned int c0,c1,c2,c3,c4; c0 = (*((*s)++)); if (c0 & 0x80){ c1 = (*((*s)++)); if (c0 & 0x40) { c2 = (*((*s)++)); if (c0 & 0x20) { c3 = (*((*s)++)); if (c0 &0x10) { c4 = (*((*s)++)); return c4 | (c3<<8) | (c2<<16) | (c1<<8); }else{ return (c3) | (c2<<8 ) | (c1<<16) | ((c0 & 0x0f)<<24); } }else{ return (c2) | (c1<<8) | ((c0 & 0x1f)<<16); } }else{ return (c1) | ((c0 & 0x3f)<<8); } }else{ return c0; } } static GB_INLINE void g_b_put_number2(int i, unsigned char **s) { int j; if (i< 0x80 ){ *((*s)++)=i;return; } if (i<0x4000) { j = (i>>8) | 0x80; *((*s)++)=j; *((*s)++)=i; }else if (i<0x200000) { j = (i>>16) | 0xC0; *((*s)++)=j; j = (i>>8); *((*s)++)=j; *((*s)++)=i; } else if (i<0x10000000) { j = (i>>24) | 0xE0; *((*s)++)=j; j = (i>>16); *((*s)++)=j; j = (i>>8); *((*s)++)=j; *((*s)++)=i; } } char *gb_compress_seq_by_master(const char *master,int master_len,int master_index, GBQUARK q, const char *seq, long seq_len, long *memsize, int old_flag){ unsigned char *buffer; int rest = 0; unsigned char *d; int i,cs,cm; int last; long len = seq_len; d = buffer = (unsigned char *)GB_give_other_buffer(seq,seq_len); if (seq_len > master_len){ rest = seq_len - master_len; len = master_len; } last = -1000; /* Convert Sequence relative to Master */ for( i = len; i>0; i--){ cm = *(master++); cs = *(seq++); if (cm==cs && cs != last){ *(d++) = 0; last = 1000; }else{ *(d++) = cs; last = cs; } } for( i = rest; i>0; i--){ *(d++) = *(seq++); } { /* Append run length compression method */ unsigned char *buffer2; unsigned char *dest2; buffer2 = dest2 = (unsigned char *)GB_give_other_buffer((char *)buffer,seq_len+100); *(dest2++) = GB_COMPRESSION_SEQUENCE | old_flag; g_b_put_number2(master_index,&dest2); /* Tags */ g_b_put_number2(q,&dest2); gb_compress_equal_bytes_2((char *)buffer,seq_len,memsize,(char *)dest2); /* append runlength compressed sequences to tags */ *memsize = *memsize + (dest2-buffer2); return (char *)buffer2; } } char *gb_compress_sequence_by_master(GBDATA *gbd,const char *master,int master_len,int master_index, GBQUARK q, const char *seq, int seq_len, long *memsize) { long size; char *is = gb_compress_seq_by_master(master,master_len,master_index,q,seq,seq_len,&size,GB_COMPRESSION_LAST); char *res = gb_compress_data(gbd,0,is,size,memsize, ~(GB_COMPRESSION_DICTIONARY|GB_COMPRESSION_SORTBYTES|GB_COMPRESSION_RUNLENGTH),GB_TRUE); return res; } static GB_ERROR compress_sequence_tree(GBDATA *gb_main, GB_CTREE *tree, const char *ali_name){ GB_ERROR error = 0; long ali_len = GBT_get_alignment_len(gb_main, ali_name); int main_clock = GB_read_clock(gb_main); GB_ERROR warning = NULL; if (ali_len<0){ warning = GBS_global_string("Skipping alignment '%s' (not a valid alignment; len=%li).", ali_name, ali_len); } else { int leafcount = g_b_count_leafs(tree); if (!leafcount) { error = "Tree is empty"; } else { /* Distribute masters in tree */ int mastercount = 0; int max_compSteps = 0; // in one branch int seqcount = 0; GB_status2("Create master sequences"); GB_status(0); init_indices_and_count_sons(tree, &seqcount, ali_name); if (!seqcount) { warning = GBS_global_string("Tree contains no sequences with data in '%s'\n" "Skipping compression for this alignment", ali_name); } else { distribute_masters(tree, &mastercount, &max_compSteps); #if defined(SAVE_COMPRESSION_TREE_TO_DB) { error = GBT_link_tree((GBT_TREE*)tree, gb_main, 0, NULL, NULL); if (!error) error = GBT_write_tree(gb_main,0,"tree_compression_new",(GBT_TREE*)tree); GB_information("Only generated compression tree (do NOT save DB anymore)"); return error; } #endif /* SAVE_COMPRESSION_TREE_TO_DB */ // detect degenerated trees { int min_masters = ((seqcount-1)/MAX_SEQUENCE_PER_MASTER)+1; int min_compSteps = 1; { int m = min_masters; while (m>1) { m = ((m-1)/MAX_SEQUENCE_PER_MASTER)+1; min_masters += m; min_compSteps++; } } int acceptable_masters = (3*min_masters)/2; // accept 50% overhead int acceptable_compSteps = 11*min_compSteps; // accept 1000% overhead if (mastercount>acceptable_masters || max_compSteps>acceptable_compSteps) { GB_warningf("Tree is ill-suited for compression (cause of deep branches)\n" " Used tree Optimal tree Overhead\n" "Compression steps %5i %5i %4i%% (speed)\n" "Master sequences %5i %5i %4i%% (size)\n" "If you like to restart with a better tree,\n" "press 'Abort' to stop compression", max_compSteps, min_compSteps, (100*max_compSteps)/min_compSteps-100, mastercount, min_masters, (100*mastercount)/min_masters-100); } } ad_assert(mastercount>0); } if (!warning) { GBDATA *gb_master_ali = 0; GBDATA *old_gb_master_ali = 0; GB_Sequence *seqs = 0; GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GBQUARK ali_quark = gb_key_2_quark(Main,ali_name); unsigned long long sumorg = 0; unsigned long long sumold = 0; unsigned long long sumnew = 0; GB_Master **masters = (GB_Master **)GB_calloc(sizeof(*masters),leafcount); int si; { char *masterfoldername = GBS_global_string_copy("%s/@master_data/@%s",GB_SYSTEM_FOLDER,ali_name); old_gb_master_ali = GB_search(gb_main, masterfoldername,GB_FIND); free(masterfoldername); } // create masters if (!error) { { char *master_data_name = GBS_global_string_copy("%s/@master_data",GB_SYSTEM_FOLDER); char *master_name = GBS_global_string_copy("@%s",ali_name); GBDATA *gb_master_data = gb_search(gb_main, master_data_name,GB_CREATE_CONTAINER,1); /* create a master container, the old is deleted as soon as all sequences are compressed by the new method*/ gb_master_ali = gb_create_container(gb_master_data, master_name); GB_write_security_delete(gb_master_ali,7); free(master_name); free(master_data_name); } for (si = 0; sigbd = gb_create(gb_master_ali,"@master",GB_STRING); } seqs = (GB_Sequence *)GB_calloc(sizeof(*seqs),leafcount); { int builtMasters = 0; int aborted = 0; GB_status2("Building %i master sequences", mastercount); g_b_create_master(tree,seqs,masters,mastercount,&builtMasters,-1,ali_name,ali_len, &aborted); if (aborted) error = "User abort"; } } /* Compress sequences in tree */ if (!error) { GB_status2("Compressing %i sequences in tree", seqcount); GB_status(0); for (si=0;si= main_clock){ GB_warning("A species seems to be more than once in the tree"); } else { char *seq = GB_read_string(gbd); int seq_len = GB_read_string_count(gbd); long sizen = GB_read_memuse(gbd); char *seqm = GB_read_string(master->gbd); int master_len = GB_read_string_count(master->gbd); long sizes; char *ss = gb_compress_sequence_by_master(gbd,seqm,master_len,mi,ali_quark,seq,seq_len,&sizes); gb_write_compressed_pntr(gbd,ss,sizes,seq_len); sizes = GB_read_memuse(gbd); // check real usage sumnew += sizes; sumold += sizen; sumorg += seq_len; free(seqm); free(seq); } if (GB_status((si+1)/(double)seqcount)) { error = "User abort"; break; } } } /* Compress rest of sequences */ if (!error) { int pass; /* pass 1 : count species to compress, pass 2 : compress species */ int speciesNotInTree = 0; GB_status2("Compressing sequences NOT in tree"); GB_status(0); for (pass = 1; pass <= 2; ++pass) { GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); GBDATA *gb_species; int count = 0; for (gb_species = GBT_first_species_rel_species_data(gb_species_data); gb_species; gb_species = GBT_next_species(gb_species)) { GBDATA *gbd = GBT_read_sequence(gb_species,ali_name); if(!gbd) continue; if (GB_read_clock(gbd) >= main_clock) continue; /* Compress only those which are not compressed by masters */ count++; if (pass == 2) { char *data = GB_read_string(gbd); long seq_len = GB_read_string_count(gbd); long size = GB_read_memuse(gbd); GB_write_string(gbd,""); GB_write_string(gbd,data); free(data); sumold += size; size = GB_read_memuse(gbd); sumnew += size; sumorg += seq_len; if (GB_status(count/(double)speciesNotInTree)) { error = "User abort"; break; } } } if (pass == 1) { speciesNotInTree = count; if (GB_status2("Compressing %i sequences NOT in tree", speciesNotInTree)) { error = "User abort"; break; } } } } if (!error) { GB_status2("Compressing %i master-sequences", mastercount); GB_status(0); /* Compress all masters */ for (si=0;simaster; if (mi>0) { /* master available */ GBDATA *gbd = masters[si]->gbd; ad_assert(mi>si); /* we don't want a recursion, because we cannot uncompress sequence compressed masters, Main->gb_master_data is wrong */ if (gb_read_nr(gbd) != si) { /* Check database */ GB_internal_error("Sequence Compression: Master Index Conflict"); error = GB_export_error("Sequence Compression: Master Index Conflict"); break; } { GB_Master *master = masters[mi]; char *seqm = GB_read_string(master->gbd); int master_len = GB_read_string_count(master->gbd); char *seq = GB_read_string(gbd); int seq_len = GB_read_string_count(gbd); long sizes; char *ss = gb_compress_sequence_by_master(gbd,seqm,master_len,mi,ali_quark,seq,seq_len,&sizes); gb_write_compressed_pntr(gbd,ss,sizes,seq_len); sumnew += sizes; free(seq); free(seqm); } if (GB_status((si+1)/(double)mastercount)) { error = "User abort"; break; } } else { // count size of top master GBDATA *gbd = masters[si]->gbd; sumnew += GB_read_memuse(gbd); } } // count size of old master data if (!error) { GBDATA *gb_omaster; for (gb_omaster = GB_entry(old_gb_master_ali, "@master"); gb_omaster; gb_omaster = GB_nextEntry(gb_omaster)) { long size = GB_read_memuse(gb_omaster); sumold += size; } } if (!error) { char *sizeOrg = strdup(GBS_readable_size(sumorg)); char *sizeOld = strdup(GBS_readable_size(sumold)); char *sizeNew = strdup(GBS_readable_size(sumnew)); GB_warningf("Alignment '%s':\n" " Uncompressed data: %7s\n" " Old compressed data: %7s = %6.2f%%\n" " New compressed data: %7s = %6.2f%%", ali_name, sizeOrg, sizeOld, (100.0*sumold)/sumorg, sizeNew, (100.0*sumnew)/sumorg); free(sizeNew); free(sizeOld); free(sizeOrg); } } if (!error) { if (old_gb_master_ali){ error = GB_delete(old_gb_master_ali); } Main->keys[ali_quark].gb_master_ali = gb_master_ali; } // free data free(seqs); for (si=0;sitransaction>0){ GB_internal_error("Internal Error: Compress Sequences called during a running transaction"); return GB_export_error("Internal Error: Compress Sequences called during a running transaction"); } GB_request_undo_type(gb_main,GB_UNDO_KILL); GB_begin_transaction(gb_main); GB_push_my_security(gb_main); if (!tree_name || !strlen(tree_name)) { to_free = GBT_find_largest_tree(gb_main); tree_name = to_free; } ctree = (GB_CTREE *)GBT_read_tree(gb_main,(char *)tree_name,-sizeof(GB_CTREE)); if (!ctree) { error = GB_export_errorf("Tree %s not found in database",tree_name); } else { error = GBT_link_tree((GBT_TREE *)ctree, gb_main, GB_FALSE, 0, 0); if (!error) error = compress_sequence_tree(gb_main,ctree,ali_name); GBT_delete_tree((GBT_TREE *)ctree); } GB_pop_my_security(gb_main); if (error) { GB_abort_transaction(gb_main); } else { GB_commit_transaction(gb_main); GB_disable_quicksave(gb_main,"Database optimized"); } GB_request_undo_type(gb_main,undo_type); if (to_free) free(to_free); #if defined(SAVE_COMPRESSION_TREE_TO_DB) error = "fake error"; #endif /* SAVE_COMPRESSION_TREE_TO_DB */ return error; } void GBT_compression_test(void *dummy, GBDATA *gb_main) { GB_ERROR error = GB_begin_transaction(gb_main); char *ali_name = GBT_get_default_alignment(gb_main); char *tree_name = GBT_read_string(gb_main, "focus/tree_name"); GBUSE(dummy); if (!ali_name || !tree_name) error = GB_await_error(); error = GB_end_transaction(gb_main, error); if (!error) { printf("Recompression data in alignment '%s' using tree '%s'\n", ali_name, tree_name); error = GBT_compress_sequence_tree2(gb_main, tree_name, ali_name); } if (error) GB_warning(error); free(tree_name); free(ali_name); } /* ******************** Decompress Sequences ******************** */ char *g_b_uncompress_single_sequence_by_master(const char *s, const char *master, long size, long *new_size) { const signed char *source = (signed char *)s; char *dest; const char *m = master; unsigned int c; int j; int i; char *buffer; dest = buffer = GB_give_other_buffer((char *)source,size); for (i=size;i;) { j = *(source++); if (j>0) { /* uncompressed data block */ if (j>i) j=i; i -= j; for (;j;j--) { c = *(source++); if (!c) c = *m; *(dest++) = c; m++; } }else{ /* equal bytes compressed */ if (!j) break; /* end symbol */ if (j== -122) { j = *(source++) & 0xff; j |= ((*(source++)) <<8) &0xff00; j = -j; } c = *(source++); i += j; if (i<0) { GB_internal_error("Internal Error: Missing end in data"); j += -i; i = 0; } if (c==0) { memcpy(dest, m, -j); dest+= -j; m+= -j; } else { memset(dest, c, -j); dest+= -j; m+= -j; } } } *(dest++) = 0; /* NULL of NULL terminated string */ *new_size = dest-buffer; ad_assert(size == *new_size); // buffer overflow return buffer; } char *gb_uncompress_by_sequence(GBDATA *gbd, const char *ss,long size, GB_ERROR *error, long *new_size) { char *dest = 0; *error = 0; if (!GB_FATHER(gbd)) { *error = "Cannot uncompress this sequence: Sequence has no father"; } else { GB_MAIN_TYPE *Main = GB_MAIN(gbd); GBDATA *gb_main = (GBDATA*)Main->data; char *to_free = GB_check_out_buffer(ss); /* Remove 'ss' from memory management, otherwise load_single_key_data() may destroy it */ int index; GBQUARK quark; { const unsigned char *s = (const unsigned char *)ss; index = g_b_read_number2(&s); quark = g_b_read_number2(&s); ss = (const char *)s; } if (!Main->keys[quark].gb_master_ali){ gb_load_single_key_data(gb_main,quark); } if (!Main->keys[quark].gb_master_ali){ *error = "Cannot uncompress this sequence: Cannot find a master sequence"; } else { GBDATA *gb_master = gb_find_by_nr(Main->keys[quark].gb_master_ali,index); if (gb_master){ const char *master = GB_read_char_pntr(gb_master); /* make sure that this is not a buffer !!! */ ad_assert((GB_read_string_count(gb_master)+1) == size); // size mismatch between master and slave dest = g_b_uncompress_single_sequence_by_master(ss, master, size, new_size); } else { *error = GB_await_error(); } } free(to_free); } return dest; } ./arbsrc_9167/ARBDB/adsocket.c0000644012664100000130000012367411440743000015720 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "adlocal.h" #if defined(__cplusplus) extern "C" { # include } #else # include #endif #if defined(SUN4) || defined(SUN5) # ifndef __cplusplus # define SIG_PF void (*)() # endif #else # define SIG_PF void (*)(int ) #endif #if defined(DARWIN) # include #endif /* DARWIN */ /************************************ signal handling ****************************************/ /************************************ valid memory tester ************************************/ int gbcm_sig_violation_flag; int gbcm_pipe_violation_flag; #if defined(DIGITAL) # if defined(__cplusplus) extern "C" { extern void usleep(unsigned int ); } # else extern void usleep(unsigned int); # endif #endif // DIGITAL void GB_usleep(long usec){ # if defined(SUN5) struct timespec timeout,time2; timeout.tv_sec = 0; timeout.tv_nsec = usec*1000; nanosleep(&timeout,&time2); # else usleep(usec); # endif } long gbcm_sig_violation_end(); GB_ERROR gbcm_test_address(long *address,long key) { /* tested ob die Addresse address erlaubt ist, falls ja, dann return NULL, sonst Fehlerstring */ /* Falls key != NULL, tested ob *address == key */ long i; gbcm_sig_violation_flag = 0; i = *address; if (gbcm_sig_violation_flag) { fprintf(stderr,"MEMORY MANAGER ERROR: SIGNAL SEGV; ADDRESS 0x%lx",(long)address); return "MEMORY MANAGER ERROR"; } if (key){ if (i!=key) { fprintf(stderr,"MEMORY MANAGER ERROR: OBJECT KEY (0x%lx) IS NOT OF TYPE 0x%lx",i,key); return "MEMORY MANAGER ERROR"; } } return NULL; } long gbcm_test_address_end() { return 1; } /************************************************************************************** ******************************** valid memory tester (end) ************************* ***************************************************************************************/ void *gbcms_sigpipe() { gbcm_pipe_violation_flag = 1; return 0; } /************************************************************************************** private read and write socket functions ***************************************************************************************/ void gbcm_read_flush(int socket) {gb_local->write_ptr = gb_local->write_buffer; gb_local->write_free = gb_local->write_bufsize; socket = socket;} long gbcm_read_buffered(int socket,char *ptr, long size) { /* write_ptr ptr to not read data write_free = write_bufsize-size of non read data; */ long holding; holding = gb_local->write_bufsize - gb_local->write_free; if (holding <= 0) { holding = read(socket,gb_local->write_buffer,(size_t)gb_local->write_bufsize); if (holding < 0) { fprintf(stderr,"Cannot read data from client: len=%li (%s, errno %i)\n", holding, strerror(errno), errno); return 0; } gbcm_read_flush(socket); gb_local->write_free-=holding; } if (size>holding) size = holding; memcpy(ptr,gb_local->write_ptr,(int)size); gb_local->write_ptr += size; gb_local->write_free+= size; return size; } long gbcm_read(int socket,char *ptr,long size) { long leftsize,readsize; leftsize = size; readsize = 0; while (leftsize) { readsize = gbcm_read_buffered(socket,ptr,leftsize); if (readsize<=0) return 0; ptr += readsize; leftsize -= readsize; } return size; } int gbcm_write_flush(int socket) { char *ptr; long leftsize,writesize; ptr = gb_local->write_buffer; leftsize = gb_local->write_ptr - ptr; gb_local->write_free = gb_local->write_bufsize; if (!leftsize) return GBCM_SERVER_OK; gb_local->write_ptr = ptr; gbcm_pipe_violation_flag = 0; writesize = write(socket,ptr,(size_t)leftsize); if (gbcm_pipe_violation_flag || writesize<0) { if ( gb_local->iamclient ) { fprintf(stderr,"DB_Server is killed, Now I kill myself\n"); exit(-1); } fprintf(stderr,"writesize: %li ppid %i\n",writesize,getppid()); return GBCM_SERVER_FAULT; } ptr += writesize; leftsize = leftsize - writesize; while (leftsize) { GB_usleep(10000); writesize = write(socket,ptr,(size_t)leftsize); if (gbcm_pipe_violation_flag || writesize<0) { if ( (int)getppid() <=1 ) { fprintf(stderr,"DB_Server is killed, Now I kill myself\n"); exit(-1); } fprintf(stderr,"write error\n"); return GBCM_SERVER_FAULT; } ptr += writesize; leftsize -= writesize; } return GBCM_SERVER_OK; } int gbcm_write(int socket,const char *ptr,long size) { while (size >= gb_local->write_free){ memcpy(gb_local->write_ptr, ptr, (int)gb_local->write_free); gb_local->write_ptr += gb_local->write_free; size -= gb_local->write_free; ptr += gb_local->write_free; gb_local->write_free = 0; if (gbcm_write_flush(socket)) return GBCM_SERVER_FAULT; } memcpy(gb_local->write_ptr, ptr, (int)size); gb_local->write_ptr += size; gb_local->write_free -= size; return GBCM_SERVER_OK; } void *gbcm_sigio() { return 0; } /************************************* find the mach name and id *************************************/ GB_ERROR gbcm_get_m_id(const char *path, char **m_name, long *id) { GB_ERROR error = 0; if (!path) error = "missing hostname:socketid"; else { if (strcmp(path,":") == 0) { path = GBS_read_arb_tcp("ARB_DB_SERVER"); if (!path) error = GB_await_error(); } if (!error) { const char *p = strchr(path, ':'); if (!p) error = GBS_global_string("missing ':' in '%s'", path); else { if (path[0] == '*' || path[0] == ':') { // UNIX MODE *m_name = strdup(p+1); *id = -1; } else { char *mn = GB_strpartdup(path, p-1); int i = atoi(p + 1); if ((i < 1) || (i > 4096)) { error = GBS_global_string("socketnumber %i not in [1..4096]", i); } if (!error) { *m_name = mn; *id = i; } else { free(mn); } } } } } if (error) error = GBS_global_string("OPEN_ARB_DB_CLIENT ERROR: %s", error); return error; } GB_ERROR gbcm_open_socket(const char *path, long delay2, long do_connect, int *psocket, char **unix_name) { long socket_id[1]; char *mach_name[1]; struct in_addr addr; /* union -> u_long */ struct hostent *he; GB_ERROR err; mach_name[0] = 0; err = gbcm_get_m_id(path, mach_name, socket_id); if (err) { if (mach_name[0]) free((char *)mach_name[0]); return err; } if (socket_id[0] >= 0) { /* TCP */ struct sockaddr_in so_ad; memset((char *)&so_ad,0,sizeof(struct sockaddr_in)); *psocket = socket(PF_INET, SOCK_STREAM, 0); if (*psocket <= 0) { return "CANNOT CREATE SOCKET"; } he = gethostbyname(mach_name[0]); if (!he) { return "Unknown host"; } /** simply take first address **/ addr.s_addr = *(long *) (he->h_addr); so_ad.sin_addr = addr; so_ad.sin_family = AF_INET; so_ad.sin_port = htons((unsigned short)(socket_id[0])); /* @@@ = pb_socket */ if (do_connect){ /*printf("Connecting to %X:%i\n",addr.s_addr,socket_id[0]);*/ if (connect(*psocket,(struct sockaddr *)(&so_ad), sizeof(so_ad))) { GB_warningf("Cannot connect to %s:%li errno %i",mach_name[0],socket_id[0],errno); return ""; } }else{ int one = 1; setsockopt(*psocket, SOL_SOCKET,SO_REUSEADDR,(const char *)&one,sizeof(one)); if (bind(*psocket, (struct sockaddr *)(&so_ad),sizeof(so_ad))){ return "Could not open socket on Server"; } } if (mach_name[0]) free((char *)mach_name[0]); if (delay2 == TCP_NODELAY) { GB_UINT4 optval; optval = 1; setsockopt(*psocket, IPPROTO_TCP, TCP_NODELAY, (char *)&optval, sizeof (GB_UINT4)); } *unix_name = 0; return 0; } else { /* UNIX */ struct sockaddr_un so_ad; memset((char *)&so_ad,0,sizeof(so_ad)); *psocket = socket(PF_UNIX, SOCK_STREAM, 0); if (*psocket <= 0) { return "CANNOT CREATE SOCKET"; } so_ad.sun_family = AF_UNIX; strcpy(so_ad.sun_path, mach_name[0]); if (do_connect){ if (connect(*psocket, (struct sockaddr*)(&so_ad), strlen(so_ad.sun_path)+2)) { if (mach_name[0]) free((char *)mach_name[0]); return ""; } }else{ #if 0 FILE *test; test = fopen(mach_name[0],"r"); if (test) { fclose(test); if (GB_is_regularfile(mach_name[0])){ GB_ERROR error = 0; error = GB_export_error("Socket '%s' already exists as a file",mach_name[0]); free((char *)mach_name[0]); return error; } } #endif if (unlink(mach_name[0])) { ; }else{ printf("old socket found\n"); } if (bind(*psocket,(struct sockaddr*)(&so_ad),strlen(mach_name[0])+2)){ if (mach_name[0]) free((char *)mach_name[0]); return "Could not open socket on Server"; } if (chmod(mach_name[0],0777)) return GB_export_errorf("Cannot change mode of socket '%s'",mach_name[0]); } *unix_name = mach_name[0]; return 0; } } long gbcms_close(struct gbcmc_comm *link) { if (link->socket) { close(link->socket); link->socket = 0; if (link->unix_name) { unlink(link->unix_name); } } return 0; } struct gbl_param *ppara; struct gbcmc_comm *gbcmc_open(const char *path) { struct gbcmc_comm *link; GB_ERROR err; link = (struct gbcmc_comm *)GB_calloc(sizeof(struct gbcmc_comm), 1); err = gbcm_open_socket(path, TCP_NODELAY, 1, &link->socket, &link->unix_name); if (err) { if (link->unix_name) free(link->unix_name); /* @@@ */ free((char *)link); if(*err){ GB_internal_errorf("ARB_DB_CLIENT_OPEN\n(Reason: %s)", err); } return 0; } signal(SIGPIPE, (SIG_PF) gbcm_sigio); gb_local->iamclient = 1; return link; } /************************************************************************************** write and read triples ***************************************************************************************/ long gbcm_write_two(int socket, long a, long c) { long ia[3]; ia[0] = a; ia[1] = 3; ia[2] = c; if (!socket) return 1; return gbcm_write(socket, (const char *)ia, sizeof(long)*3); } /** read two values: length and any user long * if data are send be gbcm_write_two then b should be zero * and is not used !!! */ long gbcm_read_two(int socket, long a, long *b, long *c) { long ia[3]; long size; size = gbcm_read(socket,(char *)&(ia[0]),sizeof(long)*3); if (size != sizeof(long) * 3) { GB_internal_errorf("receive failed: %zu bytes expected, %li got, keyword %lX", sizeof(long) * 3,size, a ); return GBCM_SERVER_FAULT; } if (ia[0] != a) { GB_internal_errorf("received keyword failed %lx != %lx\n",ia[0],a); return GBCM_SERVER_FAULT; } if (b) { *b = ia[1]; }else{ if (ia[1]!=3) { GB_internal_error("receive failed: size not 3\n"); return GBCM_SERVER_FAULT; } } *c = ia[2]; return GBCM_SERVER_OK; } long gbcm_write_string(int socket, const char *key) { if (key) { size_t len = strlen(key); gbcm_write_long(socket, len); if (len) gbcm_write(socket,key,len); } else { gbcm_write_long(socket, -1); } return GBCM_SERVER_OK; } char *gbcm_read_string(int socket) { char *key; long len = gbcm_read_long(socket); if (len) { if (len>0) { key = (char *)GB_calloc(sizeof(char), (size_t)len+1); gbcm_read(socket, key, len); } else { key = 0; } } else { key = strdup(""); } return key; } long gbcm_write_long(int socket, long data) { gbcm_write(socket, (char*)&data, sizeof(data)); return GBCM_SERVER_OK; } long gbcm_read_long(int socket) { long data; gbcm_read(socket, (char*)&data, sizeof(data)); return data; } struct stat gb_global_stt; GB_ULONG GB_time_of_file(const char *path) { if (path){ char *path2 = GBS_eval_env(path); if (stat(path2, &gb_global_stt)){ free(path2); return 0; } free(path2); } return gb_global_stt.st_mtime; } long GB_size_of_file(const char *path) { if (!path || stat(path, &gb_global_stt)) return -1; return gb_global_stt.st_size; } long GB_mode_of_file(const char *path) { if (path) if (stat(path, &gb_global_stt)) return -1; return gb_global_stt.st_mode; } long GB_mode_of_link(const char *path) { if (path) if (lstat(path, &gb_global_stt)) return -1; return gb_global_stt.st_mode; } GB_BOOL GB_is_regularfile(const char *path){ struct stat stt; return stat(path, &stt) == 0 && S_ISREG(stt.st_mode); } GB_BOOL GB_is_executablefile(const char *path) { struct stat stt; GB_BOOL executable = GB_FALSE; if (stat(path, &stt) == 0) { uid_t my_userid = geteuid(); // effective user id if (stt.st_uid == my_userid) { // I am the owner of the file executable = !!(stt.st_mode&S_IXUSR); // owner execution permission } else { gid_t my_groupid = getegid(); // effective group id if (stt.st_gid == my_groupid) { // I am member of the file's group executable = !!(stt.st_mode&S_IXGRP); // group execution permission } else { executable = !!(stt.st_mode&S_IXOTH); // others execution permission } } } return executable; } GB_BOOL GB_is_privatefile(const char *path, GB_BOOL read_private) { // return GB_TRUE, if nobody but user has write permission // if 'read_private' is true, only return GB_TRUE if nobody but user has read permission // // Note: Always returns GB_TRUE for missing files! // // GB_is_privatefile is mainly used to assert that files generated in /tmp have secure permissions struct stat stt; GB_BOOL isprivate = GB_TRUE; if (stat(path, &stt) == 0) { if (read_private) { isprivate = (stt.st_mode & (S_IWGRP|S_IWOTH|S_IRGRP|S_IROTH)) == 0; } else { isprivate = (stt.st_mode & (S_IWGRP|S_IWOTH)) == 0; } } return isprivate; } GB_BOOL GB_is_readablefile(const char *filename) { FILE *in = fopen(filename, "r"); if (in) { fclose(in); return GB_TRUE; } return GB_FALSE; } GB_BOOL GB_is_directory(const char *path) { struct stat stt; return stat(path, &stt) == 0 && S_ISDIR(stt.st_mode); } long GB_getuid_of_file(char *path){ struct stat stt; if (stat(path, &stt)) return -1; return stt.st_uid; } int GB_unlink(const char *path) { /* returns 0 success 1 File does not exist -1 Error */ if (unlink(path)) { if (errno == ENOENT) return 1; GB_export_IO_error("removing", path); return -1; } return 0; } void GB_unlink_or_warn(const char *path, GB_ERROR *error) { /* Unlinks 'path' * * In case of a real unlink failure: * - if 'error' is given -> set error if not already set * - otherwise only warn */ if (GB_unlink(path)<0) { GB_ERROR unlink_error = GB_await_error(); if (error && *error == NULL) *error = unlink_error; else GB_warning(unlink_error); } } char *GB_follow_unix_link(const char *path){ /* returns the real path of a file */ char buffer[1000]; char *path2; char *pos; char *res; int len = readlink(path,buffer,999); if (len<0) return 0; buffer[len] = 0; if (path[0] == '/') return strdup(buffer); path2 = strdup(path); pos = strrchr(path2,'/'); if (!pos){ free(path2); return strdup(buffer); } *pos = 0; res = GBS_global_string_copy("%s/%s",path2,buffer); free(path2); return res; } GB_ERROR GB_symlink(const char *name1, const char *name2){ /* name1 is the existing file !!! */ if (symlink(name1,name2)<0){ return GB_export_errorf("Cannot create symlink '%s' to file '%s'",name2,name1); } return 0; } GB_ERROR GB_set_mode_of_file(const char *path,long mode) { if (chmod(path, (int)mode)) return GB_export_errorf("Cannot change mode of '%s'",path); return 0; } GB_ERROR GB_rename_file(const char *oldpath,const char *newpath){ long old_mod = GB_mode_of_file(newpath); if (old_mod == -1) old_mod = GB_mode_of_file(oldpath); if (rename(oldpath,newpath)) { return GB_export_IO_error("renaming", GBS_global_string("%s into %s", oldpath, newpath)); } if (GB_set_mode_of_file(newpath,old_mod)) { return GB_export_IO_error("setting mode",newpath); } sync(); return 0; } /******************************************************************************************** read a file to memory ********************************************************************************************/ char *GB_read_fp(FILE *in) { // like GB_read_file, but works on already open file (useful together with GB_fopen_tempfile) // Note: File should be opened in text-mode (e.g. "rt") struct GBS_strstruct *buf = GBS_stropen(4096); int c; while (EOF != (c = getc(in))) { GBS_chrcat(buf, c); } return GBS_strclose(buf); } char *GB_read_file(const char *path) { // read content of file 'path' into string (heap-copy) // // if path is '-', read from STDIN // return NULL in case of error (which is exported then) char *result = 0; if (strcmp(path, "-") == 0) { result = GB_read_fp(stdin); } else { char *epath = GBS_eval_env(path); if (epath) { FILE *in = fopen(epath, "rt"); if (!in) GB_export_IO_error("reading", epath); else { long data_size = GB_size_of_file(epath); if (data_size >= 0) { result = (char*)malloc(data_size+1); data_size = fread(result, 1, data_size, in); result[data_size] = 0; } fclose(in); } } free(epath); } return result; } char *GB_map_FILE(FILE *in,int writeable){ int fi = fileno(in); size_t size = GB_size_of_FILE(in); char *buffer; if (size<=0) { GB_export_error("GB_map_file: sorry file not found"); return NULL; } if (writeable){ buffer = (char*)mmap(NULL, size, PROT_READ | PROT_WRITE, MAP_PRIVATE, fi, 0); }else{ buffer = (char*)mmap(NULL, size, PROT_READ, MAP_SHARED, fi, 0); } if (buffer == MAP_FAILED){ GB_export_errorf("GB_map_file: Error: Out of Memory: mmap failed (errno: %i)", errno); return NULL; } return buffer; } char *GB_map_file(const char *path,int writeable){ FILE *in; char *buffer; in = fopen(path,"r"); if (!in) { GB_export_errorf("GB_map_file: sorry file '%s' not readable",path); return NULL; } buffer = GB_map_FILE(in,writeable); fclose(in); return buffer; } long GB_size_of_FILE(FILE *in){ int fi = fileno(in); struct stat st; if (fstat(fi, &st)) { GB_export_error("GB_size_of_FILE: sorry file is not readable"); return -1; } return st.st_size; } GB_ULONG GB_time_of_day(void){ struct timeval tp; if (gettimeofday(&tp,0)) return 0; return tp.tv_sec; } long GB_last_saved_clock(GBDATA *gb_main){ return GB_MAIN(gb_main)->last_saved_transaction; } GB_ULONG GB_last_saved_time(GBDATA *gb_main){ return GB_MAIN(gb_main)->last_saved_time; } GB_ERROR GB_textprint(const char *path){ /* goes to header: __ATTR__USERESULT */ char *fpath = GBS_eval_env(path); const char *command = GBS_global_string("arb_textprint '%s' &", fpath); GB_ERROR error = GB_system(command); free(fpath); return GB_failedTo_error("print textfile", fpath, error); } GB_CSTR GB_getcwd(void) { // get the current working directory // (directory from which application has been started) static char *lastcwd = 0; if (!lastcwd) lastcwd = (char *)getcwd(0,GB_PATH_MAX); return lastcwd; } #if defined(DEVEL_RALF) #warning search for '\b(system)\b\s*\(' and use GB_system instead #endif /* DEVEL_RALF */ GB_ERROR GB_system(const char *system_command) { /* goes to header: __ATTR__USERESULT */ fprintf(stderr, "[Action: '%s']\n", system_command); int res = system(system_command); GB_ERROR error = NULL; if (res) { error = GBS_global_string("System call failed (result=%i)\n" "System call was '%s'\n" "(Note: console window may contain additional information)", res, system_command); } return error; } GB_ERROR GB_xterm(void) { /* goes to header: __ATTR__USERESULT */ const char *xt = GB_getenv("ARB_XTERM"); // doc in arb_envar.hlp if (!xt) xt = "xterm -sl 1000 -sb -geometry 120x40"; const char *command = GBS_global_string("%s &", xt); return GB_system(command); } GB_ERROR GB_xcmd(const char *cmd, GB_BOOL background, GB_BOOL wait_only_if_error) { /* goes to header: __ATTR__USERESULT */ // runs a command in an xterm // if 'background' is true -> run asynchronous // if 'wait_only_if_error' is true -> asynchronous does wait for keypress only if cmd fails void *strstruct = GBS_stropen(1024); const char *xt = GB_getenv("ARB_XCMD"); // doc in arb_envar.hlp if (!xt) xt = "xterm -sl 1000 -sb -geometry 140x30 -e"; GBS_strcat(strstruct, "("); GBS_strcat(strstruct, xt); GBS_strcat(strstruct, " sh -c 'LD_LIBRARY_PATH=\""); GBS_strcat(strstruct,GB_getenv("LD_LIBRARY_PATH")); GBS_strcat(strstruct,"\";export LD_LIBRARY_PATH; ("); GBS_strcat(strstruct, cmd); if (background) { if (wait_only_if_error) { GBS_strcat(strstruct, ") || (echo; echo Press RETURN to close Window; read a)' ) &"); } else { GBS_strcat(strstruct, "; echo; echo Press RETURN to close Window; read a)' ) &"); } } else { if (wait_only_if_error) { GBS_strcat(strstruct, ") || (echo; echo Press RETURN to close Window; read a)' )"); } else { // no wait GBS_strcat(strstruct, " )' ) "); } } GB_ERROR error = GB_system(GBS_mempntr(strstruct)); GBS_strforget(strstruct); return error; } /* -------------------------------------------------------------------------------- */ /* Functions to find an executable */ char *GB_executable(GB_CSTR exe_name) { GB_CSTR path = GB_getenvPATH(); char *buffer = GB_give_buffer(strlen(path)+1+strlen(exe_name)+1); const char *start = path; int found = 0; while (!found && start) { const char *colon = strchr(start, ':'); int len = colon ? (colon-start) : (int)strlen(start); memcpy(buffer, start, len); buffer[len] = '/'; strcpy(buffer+len+1, exe_name); found = GB_is_executablefile(buffer); start = colon ? colon+1 : 0; } return found ? strdup(buffer) : 0; } char *GB_find_executable(GB_CSTR description_of_executable, ...) { /* goes to header: __ATTR__SENTINEL */ /* search the path for an executable with any of the given names (...) * if any is found, it's full path is returned * if none is found, a warning call is returned (which can be executed without harm) */ GB_CSTR name; char *found = 0; va_list args; va_start(args, description_of_executable); while (!found && (name = va_arg(args, GB_CSTR)) != 0) found = GB_executable(name); va_end(args); if (!found) { /* none of the executables has been found */ char *looked_for; char *msg; { void *buf = GBS_stropen(100); int first = 1; va_start(args, description_of_executable); while ((name = va_arg(args, GB_CSTR)) != 0) { if (!first) GBS_strcat(buf, ", "); first = 0; GBS_strcat(buf, name); } va_end(args); looked_for = GBS_strclose(buf); } msg = GBS_global_string_copy("Could not find a %s (looked for: %s)", description_of_executable, looked_for); GB_warning(msg); found = GBS_global_string_copy("echo \"%s\" ; arb_ign Parameters", msg); free(msg); free(looked_for); } else { GB_informationf("Using %s '%s' ('%s')", description_of_executable, name, found); } return found; } /* -------------------------------------------------------------------------------- */ /* Functions to access the environment variables used by ARB: */ static GB_CSTR getenv_ignore_empty(GB_CSTR envvar) { GB_CSTR result = getenv(envvar); return (result && result[0]) ? result : 0; } static char *getenv_executable(GB_CSTR envvar) { // get full path of executable defined by 'envvar' // returns 0 if // - envvar not defined or // - not defining an executable (warns about that) char *result = 0; const char *exe_name = getenv_ignore_empty(envvar); if (exe_name) { result = GB_executable(exe_name); if (!result) { GB_warningf("Environment variable '%s' contains '%s' (which is not an executable)", envvar, exe_name); } } return result; } static char *getenv_existing_directory(GB_CSTR envvar) { // get full path of directory defined by 'envvar' // return 0 if // - envvar is not defined or // - does not point to a directory (warns about that) char *result = 0; const char *dir_name = getenv_ignore_empty(envvar); if (dir_name) { if (GB_is_directory(dir_name)) { result = strdup(dir_name); } else { GB_warningf("Environment variable '%s' should contain the path of an existing directory.\n" "(current content '%s' has been ignored.)", envvar, dir_name); } } return result; } GB_CSTR GB_getenvUSER(void) { static const char *user = 0; if (!user) { user = getenv_ignore_empty("USER"); if (!user) user = getenv_ignore_empty("LOGNAME"); if (!user) { user = getenv_ignore_empty("HOME"); if (user && strrchr(user,'/')) user = strrchr(user,'/')+1; } if (!user) { fprintf(stderr, "WARNING: Cannot identify user: environment variables USER, LOGNAME and HOME not set\n"); user = "UnknownUser"; } } return user; } GB_CSTR GB_getenvHOME(void) { static const char *home = 0; if (!home){ home = getenv_existing_directory("HOME"); if (!home) { home = GB_getcwd(); if (!home) home = "."; fprintf(stderr, "WARNING: Cannot identify user's home directory: environment variable HOME not set\n" "Using current directory (%s) as home.\n", home); } } return home; } GB_CSTR GB_getenvARBHOME(void) { static char *arbhome = 0; if (!arbhome) { arbhome = getenv_existing_directory("ARBHOME"); // doc in arb_envar.hlp if (!arbhome){ fprintf(stderr, "ERROR: Environment Variable ARBHOME not found !!!\n" " Please set 'ARBHOME' to the installation path of ARB\n"); exit(-1); } } return arbhome; } GB_CSTR GB_getenvARBMACRO(void) { static const char *am = 0; if (!am) { am = getenv_existing_directory("ARBMACRO"); // doc in arb_envar.hlp if (!am) am = strdup(GB_path_in_ARBLIB("macros", NULL)); } return am; } GB_CSTR GB_getenvARBMACROHOME(void) { static const char *amh = 0; if (!amh) { amh = getenv_existing_directory("ARBMACROHOME"); // doc in arb_envar.hlp if (!amh) { amh = GBS_eval_env("$(HOME)/.arb_prop/macros"); if (!GB_is_directory(amh)) { GB_ERROR error = GB_create_directory(amh); if (error) GB_warningf("Failed to create directory '%s' (Reason: %s)", amh, error); } } } return amh; } GB_CSTR GB_getenvPATH() { static const char *path = 0; if (!path) { path = getenv_ignore_empty("PATH"); if (!path) { path = GBS_eval_env("/bin:/usr/bin:$(ARBHOME)/bin"); GB_informationf("Your PATH variable is empty - using '%s' as search path.", path); } else { char *arbbin = GBS_eval_env("$(ARBHOME)/bin"); if (strstr(path, arbbin) == 0) { GB_warningf("Your PATH variable does not contain '%s'. Things may not work as expected.", arbbin); } free(arbbin); } } return path; } GB_CSTR GB_getenvARB_GS(void) { static const char *gs = 0; if (!gs) { gs = getenv_executable("ARB_GS"); // doc in arb_envar.hlp if (!gs) gs = GB_find_executable("Postscript viewer", "gv", "ghostview", NULL); } return gs; } GB_CSTR GB_getenvARB_PDFVIEW(void) { static const char *pdfview = 0; if (!pdfview) { pdfview = getenv_executable("ARB_PDFVIEW"); // doc in arb_envar.hlp if (!pdfview) pdfview = GB_find_executable("PDF viewer", "epdfview", "xpdf", "kpdf", "acroread", "gv", NULL); } return pdfview; } GB_CSTR GB_getenvARB_TEXTEDIT(void) { static const char *editor = 0; if (!editor) { editor = getenv_executable("ARB_TEXTEDIT"); // doc in arb_envar.hlp if (!editor) editor = "arb_textedit"; // a smart editor shell script } return editor; } GB_CSTR GB_getenvDOCPATH(void) { static const char *dp = 0; if (!dp) { char *res = getenv_existing_directory("ARB_DOC"); // doc in arb_envar.hlp if (res) dp = res; else dp = strdup(GB_path_in_ARBLIB("help", NULL)); } return dp; } GB_CSTR GB_getenvHTMLDOCPATH(void) { static const char *dp = 0; if (!dp) { char *res = getenv_existing_directory("ARB_HTMLDOC"); // doc in arb_envar.hlp if (res) dp = res; else dp = strdup(GB_path_in_ARBLIB("help_html", NULL)); } return dp; } GB_CSTR GB_getenv(const char *env){ if (strncmp(env, "ARB", 3) == 0) { // doc in arb_envar.hlp if (strcmp(env, "ARBMACROHOME") == 0) return GB_getenvARBMACROHOME(); if (strcmp(env, "ARBMACRO") == 0) return GB_getenvARBMACRO(); if (strcmp(env, "ARBHOME") == 0) return GB_getenvARBHOME(); if (strcmp(env, "ARB_GS") == 0) return GB_getenvARB_GS(); if (strcmp(env, "ARB_PDFVIEW") == 0) return GB_getenvARB_PDFVIEW(); if (strcmp(env, "ARB_DOC") == 0) return GB_getenvDOCPATH(); if (strcmp(env, "ARB_TEXTEDIT") == 0) return GB_getenvARB_TEXTEDIT(); } else { if (strcmp(env, "HOME") == 0) return GB_getenvHOME(); if (strcmp(env, "USER") == 0) return GB_getenvUSER(); } return getenv_ignore_empty(env); } int GB_host_is_local(const char *hostname){ /* returns 1 if host is local */ if (strcmp(hostname,"localhost") == 0) return 1; if (strcmp(hostname,GB_get_hostname()) == 0) return 1; if (strstr(hostname, "127.0.0.") == hostname) return 1; return 0; } #define MIN(a,b) (((a)<(b))?(a):(b)) GB_ULONG GB_get_physical_memory(void) { /* Returns the physical available memory size in k available for one process */ GB_ULONG memsize; /* real existing memory in k */ #if defined(SUN5) || defined(LINUX) { long pagesize = sysconf(_SC_PAGESIZE); long pages = sysconf(_SC_PHYS_PAGES); memsize = (pagesize/1024) * pages; } #elif defined(DARWIN) #warning memsize detection needs to be tested for Darwin { int mib[2]; uint64_t bytes; size_t len; mib[0] = CTL_HW; mib[1] = HW_MEMSIZE; /*uint64_t: physical ram size */ len = sizeof(bytes); sysctl(mib, 2, &bytes, &len, NULL, 0); memsize = bytes/1024; } #else memsize = 512*1024; // assume 512 Mb printf("\n" "Warning: ARB is not prepared to detect the memory size on your system!\n" " (it assumes you have %ul Mb, but does not use more)\n\n", memsize/1024); #endif GB_ULONG nettomemsize = memsize - 10240; /* reduce by 10Mb (for kernel etc.) */ // detect max allocateable memory by ... allocating GB_ULONG max_malloc_try = nettomemsize*1024; GB_ULONG max_malloc = 0; { GB_ULONG step_size = 4096; void *head = 0; do { void **tmp; while((tmp=malloc(step_size))) { *tmp = head; head = tmp; max_malloc += step_size; if (max_malloc >= max_malloc_try) break; step_size *= 2; } } while((step_size=step_size/2) > sizeof(void*)); while (head) freeset(head, *(void**)head); max_malloc /= 1024; } GB_ULONG usedmemsize = (MIN(nettomemsize,max_malloc)*95)/100; /* arb uses max. 95 % of available memory (was 70% in the past) */ #if defined(DEBUG) printf("- memsize(real) = %20lu k\n", memsize); printf("- memsize(netto) = %20lu k\n", nettomemsize); printf("- memsize(max_malloc) = %20lu k\n", max_malloc); #endif /* DEBUG */ printf("- memsize(used by ARB) = %20lu k\n", usedmemsize); arb_assert(usedmemsize != 0); return usedmemsize; } /* --------------------------------------------- */ /* path completion (parts former located in AWT) */ static int path_toggle = 0; static char path_buf[2][PATH_MAX]; GB_CSTR GB_append_suffix(const char *name, const char *suffix) { // if suffix != NULL -> append .suffix // (automatically removes duplicated '.'s) GB_CSTR result = name; if (suffix) { while (suffix[0] == '.') suffix++; if (suffix[0]) { path_toggle = 1-path_toggle; // use 2 buffers in turn result = GBS_global_string_to_buffer(path_buf[path_toggle], PATH_MAX, "%s.%s", name, suffix); } } return result; } GB_CSTR GB_get_full_path(const char *anypath) { // expands '~' '..' etc in 'anypath' GB_CSTR result = NULL; if (!anypath) { GB_export_error("NULL path (internal error)"); } else if (strlen(anypath) >= PATH_MAX) { GB_export_errorf("Path too long (> %i chars)", PATH_MAX-1); } else { path_toggle = 1-path_toggle; // use 2 buffers in turn result = path_buf[path_toggle]; if (strncmp(anypath, "~/", 2) == 0) { GB_CSTR home = GB_getenvHOME(); GB_CSTR newpath = GBS_global_string("%s%s", home, anypath+1); realpath(newpath, path_buf[path_toggle]); GBS_reuse_buffer(newpath); } else { realpath(anypath, path_buf[path_toggle]); } } return result; } GB_CSTR GB_concat_path(GB_CSTR anypath_left, GB_CSTR anypath_right) { // concats left and right part of a path. // '/' is inserted in-between // // if one of the arguments is NULL = > returns the other argument GB_CSTR result = NULL; if (anypath_left) { if (anypath_right) { path_toggle = 1-path_toggle; result = GBS_global_string_to_buffer(path_buf[path_toggle], sizeof(path_buf[path_toggle]), "%s/%s", anypath_left, anypath_right); } else { result = anypath_left; } } else { result = anypath_right; } return result; } GB_CSTR GB_concat_full_path(const char *anypath_left, const char *anypath_right) { // like GB_concat_path(), but returns the full path GB_CSTR result = GB_concat_path(anypath_left, anypath_right); gb_assert(result != anypath_left); gb_assert(result != anypath_right); if (result) result = GB_get_full_path(result); return result; } GB_CSTR GB_path_in_ARBHOME(const char *relative_path_left, const char *anypath_right) { if (anypath_right) { return GB_concat_full_path(GB_concat_path(GB_getenvARBHOME(), relative_path_left), anypath_right); } else { return GB_concat_full_path(GB_getenvARBHOME(), relative_path_left); } } GB_CSTR GB_path_in_ARBLIB(const char *relative_path_left, const char *anypath_right) { if (anypath_right) { return GB_path_in_ARBHOME(GB_concat_path("lib", relative_path_left), anypath_right); } else { return GB_path_in_ARBHOME("lib", relative_path_left); } } #ifdef P_tmpdir #define GB_PATH_TMP P_tmpdir #else #define GB_PATH_TMP "/tmp" #endif FILE *GB_fopen_tempfile(const char *filename, const char *fmode, char **res_fullname) { // fopens a tempfile // // Returns // - NULL in case of error (which is exported then) // - otherwise returns open filehandle // // Always sets // - heap-copy of used filename in 'res_fullname' (if res_fullname != NULL) // (even if fopen failed) GB_CSTR file = GB_concat_path(GB_PATH_TMP, filename); GB_BOOL write = strpbrk(fmode, "wa") != 0; GB_ERROR error = 0; FILE *fp = 0; fp = fopen(file, fmode); if (fp) { // make file private if (fchmod(fileno(fp), S_IRUSR|S_IWUSR) != 0) { error = GB_export_IO_error("changing permissions of", file); } } else { error = GB_export_IO_error(GBS_global_string("opening(%s) tempfile", write ? "write" : "read"), file); } if (res_fullname) { *res_fullname = file ? strdup(file) : 0; } if (error) { // don't care if anything fails here.. if (fp) { fclose(fp); fp = 0; } if (file) { unlink(file); file = 0; } GB_export_error(error); } return fp; } char *GB_create_tempfile(const char *name) { // creates a tempfile and returns full name of created file // returns NULL in case of error (which is exported then) char *fullname; FILE *out = GB_fopen_tempfile(name, "wt", &fullname); if (out) fclose(out); return fullname; } char *GB_unique_filename(const char *name_prefix, const char *suffix) { // generates a unique (enough) filename // // scheme: name_prefix_USER_PID_COUNT.suffix static int counter = 0; return GBS_global_string_copy("%s_%s_%i_%i.%s", name_prefix, GB_getenvUSER(), getpid(), counter++, suffix); } static GB_HASH *files_to_remove_on_exit = 0; static long exit_remove_file(const char *key, long val, void *unused) { GBUSE(val); GBUSE(unused); if (unlink(key) != 0) { fprintf(stderr, "Warning: %s\n", GB_export_IO_error("removing", key)); } return 0; } static void exit_removal() { if (files_to_remove_on_exit) { GBS_hash_do_loop(files_to_remove_on_exit, exit_remove_file, NULL); } } void GB_remove_on_exit(const char *filename) { // mark a file for removal on exit if (!files_to_remove_on_exit) { files_to_remove_on_exit = GBS_create_hash(20, GB_MIND_CASE); atexit(exit_removal); } GBS_write_hash(files_to_remove_on_exit, filename, 1); } void GB_split_full_path(const char *fullpath, char **res_dir, char **res_fullname, char **res_name_only, char **res_suffix) { // Takes a file (or directory) name and splits it into "path/name.suffix". // If result pointers (res_*) are non-NULL, they are assigned heap-copies of the splitted parts. // If parts are not valid (e.g. cause 'fullpath' doesn't have a .suffix) the corresponding result pointer // is set to NULL. // // The '/' and '.' characters are not included in the results (except the '.' in 'res_fullname') if (fullpath && fullpath[0]) { const char *lslash = strrchr(fullpath, '/'); const char *name_start = lslash ? lslash+1 : fullpath; const char *ldot = strrchr(lslash ? lslash : fullpath, '.'); const char *terminal = strchr(name_start, 0); gb_assert(terminal); gb_assert(name_start); gb_assert(terminal > fullpath); // ensure (terminal-1) is a valid character position in path if (res_dir) *res_dir = lslash ? GB_strpartdup(fullpath, lslash-1) : NULL; if (res_fullname) *res_fullname = GB_strpartdup(name_start, terminal-1); if (res_name_only) *res_name_only = GB_strpartdup(name_start, ldot ? ldot-1 : terminal-1); if (res_suffix) *res_suffix = ldot ? GB_strpartdup(ldot+1, terminal-1) : NULL; } else { if (res_dir) *res_dir = NULL; if (res_fullname) *res_fullname = NULL; if (res_name_only) *res_name_only = NULL; if (res_suffix) *res_suffix = NULL; } } ./arbsrc_9167/ARBDB/adsort.c0000644012664100000130000000202111440743000015375 0ustar arb_buildcoders#include #include #include "arbdb.h" struct comparator { gb_compare_function compare; char *client_data; }; static struct comparator Compare; // current compare function + client data static int qsort_compare(const void *v1, const void *v2) { return Compare.compare(*(void**)v1, *(void**)v2, Compare.client_data); } void GB_sort(void **array, size_t first, size_t behind_last, gb_compare_function compare, void *client_data) { /* sort 'array' of pointers from 'first' to last element * (specified by following element 'behind_last') * 'compare' is a compare function, with a strcmp-like result value */ Compare.compare = compare; Compare.client_data = client_data; qsort(array, behind_last-first, sizeof(*array), qsort_compare); } /* -------------------------- */ /* some comparators */ int GB_string_comparator(const void *v0, const void *v1, void *unused) { GBUSE(unused); return strcmp((const char *)v0, (const char *)v1); } ./arbsrc_9167/ARBDB/adstring.c0000644012664100000130000017405612050705370015744 0ustar arb_buildcoders/* ============================================================= */ /* */ /* File : adstring.c */ /* Purpose : various string functions */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* http://www.arb-home.de/ */ /* */ /* ============================================================= */ #include "adlocal.h" #include #include #include #include #include #include #include #include #include /******************************************************************************************** directory handling ********************************************************************************************/ GB_ERROR gb_scan_directory(char *basename, struct gb_scandir *sd) { /* goes to header: __ATTR__USERESULT */ /* look for quick saves (basename = yyy/xxx no arb ending !!!!) */ char *path = strdup(basename); const char *fulldir = "."; char *file = strrchr(path,'/'); DIR *dirp; int curindex; char *suffix; struct dirent *dp; struct stat st; const char *oldstyle = ".arb.quick"; char buffer[GB_PATH_MAX]; int oldstylelen = strlen(oldstyle); int filelen; if (file) { *(file++) = 0; fulldir = path; } else { file = path; } memset((char*)sd,0,sizeof(*sd)); sd->type = GB_SCAN_NO_QUICK; sd->highest_quick_index = -1; sd->newest_quick_index = -1; sd->date_of_quick_file = 0; dirp = opendir(fulldir); if (!dirp){ GB_ERROR error = GB_export_errorf("Directory %s of file %s.arb not readable",fulldir,file); free(path); return error; } filelen = strlen(file); for (dp = readdir(dirp); dp != NULL; dp = readdir(dirp)){ if (strncmp(dp->d_name,file,filelen)) continue; suffix = dp->d_name + filelen; if (suffix[0] != '.') continue; if (!strncmp(suffix,oldstyle,oldstylelen)){ if (sd->type == GB_SCAN_NEW_QUICK){ printf("Warning: Found new and old changes files, using new\n"); continue; } sd->type = GB_SCAN_OLD_QUICK; curindex = atoi(suffix+oldstylelen); goto check_time_and_date; } if (strlen(suffix) == 4 && suffix[0] == '.' && suffix[1] == 'a' && isdigit(suffix[2]) && isdigit(suffix[3])){ if (sd->type == GB_SCAN_OLD_QUICK){ printf("Warning: Found new and old changes files, using new\n"); } sd->type = GB_SCAN_NEW_QUICK; curindex = atoi(suffix+2); goto check_time_and_date; } continue; check_time_and_date: if (curindex > sd->highest_quick_index) sd->highest_quick_index = curindex; sprintf(buffer,"%s/%s",fulldir,dp->d_name); stat(buffer,&st); if ((unsigned long)st.st_mtime > sd->date_of_quick_file){ sd->date_of_quick_file = st.st_mtime; sd->newest_quick_index = curindex; } continue; } closedir(dirp); free(path); return 0; } char *GB_find_all_files(const char *dir,const char *mask, GB_BOOL filename_only) { /* Returns a string containing the filenames of all files matching mask. The single filenames are seperated by '*'. if 'filename_only' is true -> string contains only filenames w/o path returns 0 if no files found (or directory not found). in this case an error may be exported 'mask' may contain wildcards (*?) or it may be a regular expression ('/regexp/') */ DIR *dirp; struct dirent *dp; struct stat st; char *result = 0; char buffer[GB_PATH_MAX]; dirp = opendir(dir); if (dirp) { GBS_MATCHER *matcher = GBS_compile_matcher(mask, GB_IGNORE_CASE); if (matcher) { for (dp = readdir(dirp); dp != NULL; dp = readdir(dirp)) { if (GBS_string_matches_regexp(dp->d_name, matcher)) { sprintf(buffer,"%s/%s",dir,dp->d_name); if (stat(buffer,&st) == 0 && S_ISREG(st.st_mode)) { // regular file ? if (filename_only) strcpy(buffer, dp->d_name); if (result) { freeset(result, GBS_global_string_copy("%s*%s", result, buffer)); } else { result = strdup(buffer); } } } } GBS_free_matcher(matcher); } closedir(dirp); } return result; } char *GB_find_latest_file(const char *dir, const char *mask) { /* returns the name of the newest file in dir 'dir' matching 'mask' * or NULL (in this case an error may be exported) * * 'mask' may contain wildcards (*?) or * it may be a regular expression ('/regexp/') */ DIR *dirp; struct dirent *dp; char buffer[GB_PATH_MAX]; struct stat st; GB_ULONG newest = 0; char *result = 0; dirp = opendir(dir); if (dirp) { GBS_MATCHER *matcher = GBS_compile_matcher(mask, GB_IGNORE_CASE); if (matcher) { for (dp = readdir(dirp); dp != NULL; dp = readdir(dirp)) { if (GBS_string_matches_regexp(dp->d_name, matcher)) { sprintf(buffer,"%s/%s",dir,dp->d_name); if (stat(buffer,&st) == 0) { if ((GB_ULONG)st.st_mtime > newest) { newest = st.st_mtime; freedup(result, dp->d_name); } } } } GBS_free_matcher(matcher); } closedir(dirp); } return result; } gb_warning_func_type gb_warning_func; gb_information_func_type gb_information_func; gb_status_func_type gb_status_func; gb_status_func2_type gb_status_func2; /******************************************************************************************** error handling ********************************************************************************************/ void GB_raise_critical_error(const char *msg) { fprintf(stderr, "------------------------------------------------------------\n"); fprintf(stderr, "A critical error occurred in ARB\nError-Message: %s\n", msg); #if defined(DEBUG) fprintf(stderr, "Run the debugger to find the location where the error was raised.\n"); #endif /* DEBUG */ fprintf(stderr, "------------------------------------------------------------\n"); gb_assert(0); exit(-1); } #if defined(DEVEL_RALF) #warning redesign GB_export_error et al /* To clearly distinguish between the two ways of error handling * (which are: return GB_ERROR * and: export the error) * * GB_export_error() shall only export, not return the error message. * if only used for formatting GBS_global_string shall be used * (most cases where GB_export_errorf is used are candidates for this. * GB_export_error was generally misused for this, before * GBS_global_string was added!) * * GB_export_IO_error() shall not export and be renamed into GB_IO_error() * * GB_export_error() shall fail if there is already an exported error * (maybe always remember a stack trace of last error export (try whether copy of backtrace-array works)) * * use GB_get_error() to import AND clear the error */ #endif /* DEVEL_RALF */ static char *GB_error_buffer = 0; GB_ERROR GB_export_error(const char *error) { // just a temp hack around format-warnings return GB_export_errorf("%s", error); } GB_ERROR GB_export_errorf(const char *templat, ...) { /* goes to header: __ATTR__FORMAT(1) __ATTR__DEPRECATED */ char buffer[GBS_GLOBAL_STRING_SIZE]; char *p = buffer; va_list parg; memset(buffer,0,1000); #if defined(DEVEL_RALF) #warning dont prepend error here #endif /* DEVEL_RALF */ p += sprintf(buffer,"ARB ERROR: "); va_start(parg,templat); vsprintf(p,templat,parg); freedup(GB_error_buffer, buffer); return GB_error_buffer; } GB_ERROR GB_export_IO_error(const char *action, const char *filename) { /* like GB_export_error() - creates error message from current 'errno' action may be NULL (otherwise it should contain sth like "writing" or "deleting") filename may be NULL (otherwise it should contain the filename, the IO-Error occurred for) */ const char *error_message; if (errno) { error_message = strerror(errno); } else { ad_assert(0); // unhandled error (which is NOT an IO-Error) error_message = "Some unhandled error occurred, but it was not an IO-Error. " "Please send detailed information about how the error occurred to devel@arb-home.de " "or ignore this error (if possible)."; } { char buffer[GBS_GLOBAL_STRING_SIZE]; if (action) { if (filename) sprintf(buffer, "ARB ERROR: While %s '%s': %s", action, filename, error_message); else sprintf(buffer, "ARB ERROR: While %s : %s", action, error_message); } else { if (filename) sprintf(buffer, "ARB ERROR: Concerning '%s': %s", filename, error_message); else sprintf(buffer, "ARB ERROR: %s", error_message); } freedup(GB_error_buffer, buffer); } return GB_error_buffer; } GB_ERROR GB_print_error() { if (GB_error_buffer){ fflush(stdout); fprintf(stderr,"%s\n",GB_error_buffer); } return GB_error_buffer; } GB_ERROR GB_get_error() { /* goes to header: __ATTR__DEPRECATED */ /* This function is deprecated. * Instead use either * - GB_have_error() or * - GB_await_error() */ return GB_error_buffer; } GB_BOOL GB_have_error() { return GB_error_buffer != 0; } GB_ERROR GB_await_error() { if (GB_error_buffer) { static char *err = 0; reassign(err, GB_error_buffer); return err; } ad_assert(0); // please correct error handling return "Program logic error: Something went wrong, but reason is unknown"; } void GB_clear_error() { /* clears the error buffer */ freeset(GB_error_buffer, 0); } #if defined(DEVEL_RALF) #warning search for 'GBS_global_string.*error' and replace with GB_failedTo_error #endif /* DEVEL_RALF */ GB_ERROR GB_failedTo_error(const char *do_something, const char *special, GB_ERROR error) { if (error) { if (special) { error = GBS_global_string("Failed to %s '%s'.\n(Reason: %s)", do_something, special, error); } else { error = GBS_global_string("Failed to %s.\n(Reason: %s)", do_something, error); } } return error; } /* -------------------------------------------------------------------------------- */ #ifdef LINUX # define HAVE_VSNPRINTF #endif #ifdef HAVE_VSNPRINTF # define PRINT2BUFFER(buffer, bufsize, templat, parg) vsnprintf(buffer, bufsize, templat, parg); #else # define PRINT2BUFFER(buffer, bufsize, templat, parg) vsprintf(buffer, templat, parg); #endif #define PRINT2BUFFER_CHECKED(printed, buffer, bufsize, templat, parg) \ (printed) = PRINT2BUFFER(buffer, bufsize, templat, parg); \ if ((printed) < 0 || (size_t)(printed) >= (bufsize)) { \ GBK_terminatef("Internal buffer overflow (size=%zu, used=%i)\n", \ (bufsize), (printed)); \ } /* -------------------------------------------------------------------------------- */ #if defined(DEBUG) #if defined(DEVEL_RALF) /* #define TRACE_BUFFER_USAGE */ #endif /* DEBUG */ #endif /* DEVEL_RALF */ #define GLOBAL_STRING_BUFFERS 4 static size_t last_global_string_size = 0; static GB_CSTR gbs_vglobal_string(const char *templat, va_list parg, int allow_reuse) { static char buffer[GLOBAL_STRING_BUFFERS][GBS_GLOBAL_STRING_SIZE+2]; // serveral buffers - used alternately static int idx = 0; static char lifetime[GLOBAL_STRING_BUFFERS] = { }; static char nextIdx[GLOBAL_STRING_BUFFERS] = { }; int my_idx; int psize; if (nextIdx[0] == 0) { // initialize nextIdx for (my_idx = 0; my_idx0; my_idx = nextIdx[my_idx]) { #if defined(TRACE_BUFFER_USAGE) printf("decreasing lifetime[%i] (%i->%i)\n", my_idx, lifetime[my_idx], lifetime[my_idx]-1); #endif /* TRACE_BUFFER_USAGE */ lifetime[my_idx]--; } } PRINT2BUFFER_CHECKED(psize, buffer[my_idx], (size_t)GBS_GLOBAL_STRING_SIZE, templat, parg); #if defined(TRACE_BUFFER_USAGE) printf("Printed into global buffer #%i ('%s')\n", my_idx, buffer[my_idx]); #endif /* TRACE_BUFFER_USAGE */ last_global_string_size = psize; if (!allow_reuse) { idx = my_idx; lifetime[idx] = 1; } #if defined(TRACE_BUFFER_USAGE) else { printf("Allow reuse of buffer #%i\n", my_idx); } #endif /* TRACE_BUFFER_USAGE */ return buffer[my_idx]; } static char *gbs_vglobal_string_copy(const char *templat, va_list parg) { GB_CSTR gstr = gbs_vglobal_string(templat, parg, 1); return GB_strduplen(gstr, last_global_string_size); } void GBS_reuse_buffer(GB_CSTR global_buffer) { /* If you've just shortely used a buffer, you can put it back here */ va_list empty; gbs_vglobal_string(global_buffer, empty, -1); } GB_CSTR GBS_global_string(const char *templat, ...) { /* goes to header: __ATTR__FORMAT(1) */ va_list parg; GB_CSTR result; va_start(parg,templat); result = gbs_vglobal_string(templat, parg, 0); va_end(parg); return result; } char *GBS_global_string_copy(const char *templat, ...) { /* goes to header: __ATTR__FORMAT(1) */ va_list parg; char *result; va_start(parg,templat); result = gbs_vglobal_string_copy(templat, parg); va_end(parg); return result; } #if defined(DEVEL_RALF) #warning search for '\b(sprintf)\b\s*\(' and replace by GBS_global_string_to_buffer #endif /* DEVEL_RALF */ const char *GBS_global_string_to_buffer(char *buffer, size_t bufsize, const char *templat, ...) { /* goes to header: __ATTR__FORMAT(3) */ va_list parg; int psize; gb_assert(buffer); va_start(parg,templat); PRINT2BUFFER_CHECKED(psize, buffer, bufsize, templat, parg); va_end(parg); return buffer; } size_t GBS_last_global_string_size() { return last_global_string_size; } char *GBS_string_2_key_with_exclusions(const char *str, const char *additional) /* converts any string to a valid key (all chars in 'additional' are additionally allowed) */ { char buf[GB_KEY_LEN_MAX+1]; int i; int c; for (i=0;i='a')) *str = c - 'a' + 'A'; str++; } } void gbs_memcopy(char *dest, const char *source, long len) { long i; const char *s; char *d; i = len; s = source; d = dest; if (s < d) { s += i; d += i; while (i--) { *(--d) = *(--s); } } else { while (i--) { *(d++) = *(s++); } } } char *gbs_malloc_copy(const char *source, long len) { char *dest; dest = (char *)malloc((size_t)len); memcpy(dest,source,(int)len); return dest; } GB_ERROR GB_check_key(const char *key) { /* goes to header: __ATTR__USERESULT */ /* test whether all characters are letters, numbers or _ */ int i; long len; if (!key || key[0] == 0) return GB_export_error("Empty key is not allowed"); len = strlen(key); if (len>GB_KEY_LEN_MAX) return GB_export_errorf("Invalid key '%s': too long",key); if (len < GB_KEY_LEN_MIN) return GB_export_errorf("Invalid key '%s': too short",key); for (i = 0; key[i]; ++i) { char c = key[i]; if ( (c>='a') && (c<='z')) continue; if ( (c>='A') && (c<='Z')) continue; if ( (c>='0') && (c<='9')) continue; if ( (c=='_') ) continue; return GB_export_errorf("Invalid character '%c' in '%s'; allowed: a-z A-Z 0-9 '_' ", c, key); } return 0; } GB_ERROR GB_check_link_name(const char *key) { /* goes to header: __ATTR__USERESULT */ /* test whether all characters are letters, numbers or _ */ int i; long len; if (!key || key[0] == 0) return GB_export_error("Empty key is not allowed"); len = strlen(key); if (len>GB_KEY_LEN_MAX) return GB_export_errorf("Invalid key '%s': too long",key); if (len < 1) return GB_export_errorf("Invalid key '%s': too short",key); // here it differs from GB_check_key for (i = 0; key[i]; ++i) { char c = key[i]; if ( (c>='a') && (c<='z')) continue; if ( (c>='A') && (c<='Z')) continue; if ( (c>='0') && (c<='9')) continue; if ( (c=='_') ) continue; return GB_export_errorf("Invalid character '%c' in '%s'; allowed: a-z A-Z 0-9 '_' ", c, key); } return 0; } GB_ERROR GB_check_hkey(const char *key) { /* goes to header: __ATTR__USERESULT */ /* test whether all characters are letters, numbers or _ */ /* additionally allow '/' and '->' for hierarchical keys */ GB_ERROR err = 0; if (!key || key[0] == 0) { err = GB_export_error("Empty key is not allowed"); } else if (!strpbrk(key, "/-")) { err = GB_check_key(key); } else { char *key_copy = strdup(key); char *start = key_copy; if (start[0] == '/') ++start; while (start && !err) { char *key_end = strpbrk(start, "/-"); if (key_end) { char c = *key_end; *key_end = 0; err = GB_check_key(start); *key_end = c; if (c == '-') { if (key_end[1] != '>') { err = GB_export_errorf("'>' expected after '-' in '%s'", key); } start = key_end+2; } else { ad_assert(c == '/'); start = key_end+1; } } else { err = GB_check_key(start); start = 0; } } free(key_copy); } return err; } char *gbs_add_path(char *path,char *name) { long i,len,found; char *erg; if (!name) return name; if (!path) { return 0; } if (*name == '/') return name; found =0; len = strlen(path); for (i=0;i'Z'); // illegal character in chars_to_escape } else { buffer[j++] = str[i]; } } } buffer[j] = 0; return buffer; } char *GBS_unescape_string(const char *str, const char *escaped_chars, char escape_char) { // undoes GB_escape_string int len = strlen(str); char *buffer = (char*)malloc(len+1); int j = 0; int i; #if defined(DEBUG) int escaped_chars_len = strlen(escaped_chars); #endif // DEBUG ad_assert(strlen(escaped_chars) <= 26); ad_assert(strchr(escaped_chars, escape_char) == 0); // escape_char may not be included in chars_to_escape for (i = 0; str[i]; ++i) { if (str[i] == escape_char) { if (str[i+1] == escape_char) { buffer[j++] = escape_char; } else { int idx = str[i+1]-'A'; ad_assert(idx >= 0 && idxGBS_strcat_data_size >= init_size) { strstr = last_used; last_used = 0; } else { #if defined(DUMP_STRSTRUCT_MEMUSE) printf("allocating new GBS_strstruct (size = %li)\n", init_size); #endif /* DUMP_STRSTRUCT_MEMUSE */ strstr = (struct GBS_strstruct *)malloc(sizeof(struct GBS_strstruct)); strstr->GBS_strcat_data_size = init_size; strstr->GBS_strcat_data = (char *)malloc((size_t)strstr->GBS_strcat_data_size); } strstr->GBS_strcat_pos = 0; strstr->GBS_strcat_data[0] = 0; return strstr; } char *GBS_strclose(struct GBS_strstruct *strstr) { /* returns a char* copy of the memory file */ long length = strstr->GBS_strcat_pos; char *str = (char*)malloc(length+1); gb_assert(str); memcpy(str, strstr->GBS_strcat_data, length+1); /* copy with 0 */ GBS_strforget(strstr); return str; } void GBS_strforget(struct GBS_strstruct *strstr) { if (last_used) { if (last_used->GBS_strcat_data_size < strstr->GBS_strcat_data_size) { /* last_used is smaller -> keep this */ struct GBS_strstruct *tmp = last_used; last_used = strstr; strstr = tmp; } } else { static short oversized_counter = 0; if (strstr->GBS_strcat_pos*10 < strstr->GBS_strcat_data_size) oversized_counter++; else oversized_counter = 0; if (oversized_counter<10) { // keep strstruct for next call last_used = strstr; strstr = 0; } // otherwise the current strstruct was oversized 10 times -> free it } if (strstr) { #if defined(DUMP_STRSTRUCT_MEMUSE) printf("freeing GBS_strstruct (size = %li)\n", strstr->GBS_strcat_data_size); #endif /* DUMP_STRSTRUCT_MEMUSE */ free(strstr->GBS_strcat_data); free(strstr); } } GB_BUFFER GBS_mempntr(struct GBS_strstruct *strstr) { /* returns the memory file */ return strstr->GBS_strcat_data; } long GBS_memoffset(struct GBS_strstruct *strstr) { /* returns the offset into the memory file */ return strstr->GBS_strcat_pos; } void GBS_str_cut_tail(struct GBS_strstruct *strstr, int byte_count){ /* Removes byte_count characters at the tail of a memfile */ strstr->GBS_strcat_pos -= byte_count; if (strstr->GBS_strcat_pos < 0) strstr->GBS_strcat_pos = 0; strstr->GBS_strcat_data[strstr->GBS_strcat_pos] = 0; } static void gbs_strensure_mem(struct GBS_strstruct *strstr,long len) { if (strstr->GBS_strcat_pos + len + 2 >= strstr->GBS_strcat_data_size) { strstr->GBS_strcat_data_size = (strstr->GBS_strcat_pos+len+2)*3/2; strstr->GBS_strcat_data = (char *)realloc((MALLOC_T)strstr->GBS_strcat_data,(size_t)strstr->GBS_strcat_data_size); #if defined(DUMP_STRSTRUCT_MEMUSE) printf("re-allocated GBS_strstruct to size = %li\n", strstr->GBS_strcat_data_size); #endif /* DUMP_STRSTRUCT_MEMUSE */ } } void GBS_strncat(struct GBS_strstruct *strstr, const char *ptr, size_t len) { /* append some bytes string to strstruct * (caution : copies zero byte and things behind!) */ if (len>0) { gbs_strensure_mem(strstr,len+2); memcpy(strstr->GBS_strcat_data+strstr->GBS_strcat_pos,ptr, len); strstr->GBS_strcat_pos += len; strstr->GBS_strcat_data[strstr->GBS_strcat_pos] = 0; } } void GBS_strcat(struct GBS_strstruct *strstr, const char *ptr) { /* append string to strstruct */ GBS_strncat(strstr, ptr, strlen(ptr)); } void GBS_strnprintf(struct GBS_strstruct *strstr, long len, const char *templat, ...) { /* goes to header: __ATTR__FORMAT(3) */ char *buffer; int psize; va_list parg; va_start(parg,templat); gbs_strensure_mem(strstr,len+2); buffer = strstr->GBS_strcat_data+strstr->GBS_strcat_pos; #ifdef LINUX psize = vsnprintf(buffer,len,templat,parg); #else psize = vsprintf(buffer,templat,parg); #endif assert_or_exit(psize >= 0 && psize <= len); strstr->GBS_strcat_pos += psize; } void GBS_chrcat(struct GBS_strstruct *strstr,char ch) { gbs_strensure_mem(strstr, 1); strstr->GBS_strcat_data[strstr->GBS_strcat_pos++] = ch; strstr->GBS_strcat_data[strstr->GBS_strcat_pos] = 0; } void GBS_intcat(struct GBS_strstruct *strstr,long val) { char buffer[200]; long len = sprintf(buffer,"%li",val); GBS_strncat(strstr, buffer, len); } void GBS_floatcat(struct GBS_strstruct *strstr,double val) { char buffer[200]; long len = sprintf(buffer,"%f",val); GBS_strncat(strstr, buffer, len); } char *GBS_eval_env(GB_CSTR p){ GB_ERROR error = 0; GB_CSTR ka; void *out = GBS_stropen(1000); while ((ka = GBS_find_string(p,"$(",0))) { GB_CSTR kz = strchr(ka,')'); if (!kz) { error = GBS_global_string("missing ')' for envvar '%s'", p); break; } else { char *envvar = GB_strpartdup(ka+2, kz-1); int len = ka-p; if (len) GBS_strncat(out, p, len); GB_CSTR genv = GB_getenv(envvar); if (genv) GBS_strcat(out, genv); p = kz+1; free(envvar); } } if (error) { GB_export_error(error); free(GBS_strclose(out)); return 0; } GBS_strcat(out, p); // copy rest return GBS_strclose(out); } char *GBS_find_lib_file(const char *filename, const char *libprefix, int warn_when_not_found) { /* Searches files in current dir, $HOME, $ARBHOME/lib/libprefix */ char *result = 0; if (GB_is_readablefile(filename)) { result = strdup(filename); } else { const char *slash = strrchr(filename, '/'); // look for last slash if (slash && filename[0] != '.') { // have absolute path filename = slash+1; // only use filename part slash = 0; } const char *fileInHome = GB_concat_full_path(GB_getenvHOME(), filename); if (fileInHome && GB_is_readablefile(fileInHome)) { result = strdup(fileInHome); } else { if (slash) filename = slash+1; // now use filename only, even if path starts with '.' const char *fileInLib = GB_path_in_ARBLIB(libprefix, filename); if (fileInLib && GB_is_readablefile(fileInLib)) { result = strdup(fileInLib); } else { if (warn_when_not_found) { GB_warningf("Don't know where to find '%s'\n" " searched in '.'\n" " searched in $(HOME) (for '%s')\n" " searched in $(ARBHOME)/lib/%s (for '%s')\n", filename, fileInHome, libprefix, fileInLib); } } } } return result; } /* ******************************************************************************************* some simple find procedures ********************************************************************************************/ char **GBS_read_dir(const char *dir, const char *mask) { /* Return names of files in directory 'dir'. * Filter through 'mask': * - mask == NULL -> return all files * - in format '/expr/' -> use regular expression (case sensitive) * - else it does a simple string match with wildcards ("?*") * * Result is a NULL terminated array of char* (sorted alphanumerically) * Use GBT_free_names() to free the result. * * In case of error, result is NULL and error is exported * * Special case: If 'dir' is the name of a file, return an array with file as only element */ gb_assert(dir); // dir == NULL was allowed before 12/2008, forbidden now! char *fulldir = nulldup(GB_get_full_path(dir)); DIR *dirstream = opendir(fulldir); char **names = NULL; if (!dirstream) { if (GB_is_readablefile(fulldir)) { names = malloc(2*sizeof(*names)); names[0] = strdup(fulldir); names[1] = NULL; } else { char *lslash = strrchr(fulldir, '/'); if (lslash) { char *name; lslash[0] = 0; name = lslash+1; if (GB_is_directory(fulldir)) { names = GBS_read_dir(fulldir, name); } lslash[0] = '/'; } if (!names) GB_export_errorf("can't read directory '%s'", fulldir); } } else { if (mask == NULL) mask = "*"; GBS_MATCHER *matcher = GBS_compile_matcher(mask, GB_MIND_CASE); if (matcher) { int allocated = 100; int entries = 0; names = malloc(100*sizeof(*names)); struct dirent *entry; while ((entry = readdir(dirstream)) != 0) { const char *name = entry->d_name; if (name[0] == '.' && (name[1] == 0 || (name[1] == '.' && name[2] == 0))) { ; // skip '.' and '..' } else { if (GBS_string_matches_regexp(name, matcher)) { const char *full = GB_concat_path(fulldir, name); if (!GB_is_directory(full)) { // skip directories if (entries == allocated) { allocated += allocated>>1; // * 1.5 names = realloc(names, allocated*sizeof(*names)); } names[entries++] = strdup(full); } } } } names = realloc(names, (entries+1)*sizeof(*names)); names[entries] = NULL; GB_sort((void**)names, 0, entries, GB_string_comparator, 0); GBS_free_matcher(matcher); } closedir(dirstream); } free(fulldir); return names; } long GBS_gcgchecksum( const char *seq ) /* GCGchecksum */ { long i; long check = 0; long count = 0; long seqlen = strlen(seq); for (i = 0; i < seqlen; i++) { count++; check += count * toupper(seq[i]); if (count == 57) count = 0; } check %= 10000; return check; } /* Table of CRC-32's of all single byte values (made by makecrc.c of ZIP source) */ const uint32_t crctab[] = { 0x00000000L, 0x77073096L, 0xee0e612cL, 0x990951baL, 0x076dc419L, 0x706af48fL, 0xe963a535L, 0x9e6495a3L, 0x0edb8832L, 0x79dcb8a4L, 0xe0d5e91eL, 0x97d2d988L, 0x09b64c2bL, 0x7eb17cbdL, 0xe7b82d07L, 0x90bf1d91L, 0x1db71064L, 0x6ab020f2L, 0xf3b97148L, 0x84be41deL, 0x1adad47dL, 0x6ddde4ebL, 0xf4d4b551L, 0x83d385c7L, 0x136c9856L, 0x646ba8c0L, 0xfd62f97aL, 0x8a65c9ecL, 0x14015c4fL, 0x63066cd9L, 0xfa0f3d63L, 0x8d080df5L, 0x3b6e20c8L, 0x4c69105eL, 0xd56041e4L, 0xa2677172L, 0x3c03e4d1L, 0x4b04d447L, 0xd20d85fdL, 0xa50ab56bL, 0x35b5a8faL, 0x42b2986cL, 0xdbbbc9d6L, 0xacbcf940L, 0x32d86ce3L, 0x45df5c75L, 0xdcd60dcfL, 0xabd13d59L, 0x26d930acL, 0x51de003aL, 0xc8d75180L, 0xbfd06116L, 0x21b4f4b5L, 0x56b3c423L, 0xcfba9599L, 0xb8bda50fL, 0x2802b89eL, 0x5f058808L, 0xc60cd9b2L, 0xb10be924L, 0x2f6f7c87L, 0x58684c11L, 0xc1611dabL, 0xb6662d3dL, 0x76dc4190L, 0x01db7106L, 0x98d220bcL, 0xefd5102aL, 0x71b18589L, 0x06b6b51fL, 0x9fbfe4a5L, 0xe8b8d433L, 0x7807c9a2L, 0x0f00f934L, 0x9609a88eL, 0xe10e9818L, 0x7f6a0dbbL, 0x086d3d2dL, 0x91646c97L, 0xe6635c01L, 0x6b6b51f4L, 0x1c6c6162L, 0x856530d8L, 0xf262004eL, 0x6c0695edL, 0x1b01a57bL, 0x8208f4c1L, 0xf50fc457L, 0x65b0d9c6L, 0x12b7e950L, 0x8bbeb8eaL, 0xfcb9887cL, 0x62dd1ddfL, 0x15da2d49L, 0x8cd37cf3L, 0xfbd44c65L, 0x4db26158L, 0x3ab551ceL, 0xa3bc0074L, 0xd4bb30e2L, 0x4adfa541L, 0x3dd895d7L, 0xa4d1c46dL, 0xd3d6f4fbL, 0x4369e96aL, 0x346ed9fcL, 0xad678846L, 0xda60b8d0L, 0x44042d73L, 0x33031de5L, 0xaa0a4c5fL, 0xdd0d7cc9L, 0x5005713cL, 0x270241aaL, 0xbe0b1010L, 0xc90c2086L, 0x5768b525L, 0x206f85b3L, 0xb966d409L, 0xce61e49fL, 0x5edef90eL, 0x29d9c998L, 0xb0d09822L, 0xc7d7a8b4L, 0x59b33d17L, 0x2eb40d81L, 0xb7bd5c3bL, 0xc0ba6cadL, 0xedb88320L, 0x9abfb3b6L, 0x03b6e20cL, 0x74b1d29aL, 0xead54739L, 0x9dd277afL, 0x04db2615L, 0x73dc1683L, 0xe3630b12L, 0x94643b84L, 0x0d6d6a3eL, 0x7a6a5aa8L, 0xe40ecf0bL, 0x9309ff9dL, 0x0a00ae27L, 0x7d079eb1L, 0xf00f9344L, 0x8708a3d2L, 0x1e01f268L, 0x6906c2feL, 0xf762575dL, 0x806567cbL, 0x196c3671L, 0x6e6b06e7L, 0xfed41b76L, 0x89d32be0L, 0x10da7a5aL, 0x67dd4accL, 0xf9b9df6fL, 0x8ebeeff9L, 0x17b7be43L, 0x60b08ed5L, 0xd6d6a3e8L, 0xa1d1937eL, 0x38d8c2c4L, 0x4fdff252L, 0xd1bb67f1L, 0xa6bc5767L, 0x3fb506ddL, 0x48b2364bL, 0xd80d2bdaL, 0xaf0a1b4cL, 0x36034af6L, 0x41047a60L, 0xdf60efc3L, 0xa867df55L, 0x316e8eefL, 0x4669be79L, 0xcb61b38cL, 0xbc66831aL, 0x256fd2a0L, 0x5268e236L, 0xcc0c7795L, 0xbb0b4703L, 0x220216b9L, 0x5505262fL, 0xc5ba3bbeL, 0xb2bd0b28L, 0x2bb45a92L, 0x5cb36a04L, 0xc2d7ffa7L, 0xb5d0cf31L, 0x2cd99e8bL, 0x5bdeae1dL, 0x9b64c2b0L, 0xec63f226L, 0x756aa39cL, 0x026d930aL, 0x9c0906a9L, 0xeb0e363fL, 0x72076785L, 0x05005713L, 0x95bf4a82L, 0xe2b87a14L, 0x7bb12baeL, 0x0cb61b38L, 0x92d28e9bL, 0xe5d5be0dL, 0x7cdcefb7L, 0x0bdbdf21L, 0x86d3d2d4L, 0xf1d4e242L, 0x68ddb3f8L, 0x1fda836eL, 0x81be16cdL, 0xf6b9265bL, 0x6fb077e1L, 0x18b74777L, 0x88085ae6L, 0xff0f6a70L, 0x66063bcaL, 0x11010b5cL, 0x8f659effL, 0xf862ae69L, 0x616bffd3L, 0x166ccf45L, 0xa00ae278L, 0xd70dd2eeL, 0x4e048354L, 0x3903b3c2L, 0xa7672661L, 0xd06016f7L, 0x4969474dL, 0x3e6e77dbL, 0xaed16a4aL, 0xd9d65adcL, 0x40df0b66L, 0x37d83bf0L, 0xa9bcae53L, 0xdebb9ec5L, 0x47b2cf7fL, 0x30b5ffe9L, 0xbdbdf21cL, 0xcabac28aL, 0x53b39330L, 0x24b4a3a6L, 0xbad03605L, 0xcdd70693L, 0x54de5729L, 0x23d967bfL, 0xb3667a2eL, 0xc4614ab8L, 0x5d681b02L, 0x2a6f2b94L, 0xb40bbe37L, 0xc30c8ea1L, 0x5a05df1bL, 0x2d02ef8dL }; uint32_t GB_checksum(const char *seq, long length, int ignore_case , const char *exclude) /* RALF: 02-12-96 */ /* * CRC32checksum: modified from CRC-32 algorithm found in ZIP compression source * if ignore_case == true -> treat all characters as uppercase-chars (applies to exclude too) */ { unsigned long c = 0xffffffffL; long n = length; int i; int tab[256]; for (i=0;i<256;i++) { tab[i] = ignore_case ? toupper(i) : i; } if (exclude) { while (1) { int k = *(unsigned char *)exclude++; if (!k) break; tab[k] = 0; if (ignore_case) tab[toupper(k)] = tab[tolower(k)] = 0; } } while (n--) { i = tab[*(const unsigned char *)seq++]; if (i) { c = crctab[((int) c ^ i) & 0xff] ^ (c >> 8); } } c = c ^ 0xffffffffL; return c; } uint32_t GBS_checksum(const char *seq, int ignore_case, const char *exclude) /* if 'ignore_case' == true -> treat all characters as uppercase-chars (applies to 'exclude' too) */ { return GB_checksum(seq, strlen(seq), ignore_case, exclude); } /* extract all words in a text that: 1. minlen < 1.0 contain more than minlen*len_of_text characters that also exists in chars 2. minlen > 1.0 contain more than minlen characters that also exists in chars */ char *GBS_extract_words( const char *source,const char *chars, float minlen, GB_BOOL sort_output ) { char *s = strdup(source); char **ps = (char **)GB_calloc(sizeof(char *), (strlen(source)>>1) + 1); void *strstruct = GBS_stropen(1000); char *f = s; int count = 0; char *p; char *h; int cnt; int len; int iminlen = (int) (minlen+.5); while ( (p = strtok(f," \t,;:|")) ) { f = 0; cnt = 0; len = strlen(p); for (h=p;*h;h++) { if (strchr(chars,*h)) cnt++; } if (minlen == 1.0) { if (cnt != len) continue; }else if (minlen > 1.0) { if (cnt < iminlen) continue; }else{ if (len < 3 || cnt < minlen*len) continue; } ps[count] = p; count ++; } if (sort_output) { GB_sort((void **)ps, 0, count, GB_string_comparator, 0); } for (cnt = 0;cnt ".{30}ACGT.{20}TGCA" #if defined(DEBUG) size_t orgLen = strlen(data); #endif // DEBUG char *dataStart = data; char *dest = data; size_t repeat = 1; char last = *data++; do { char curr = *data++; if (curr == last) { repeat++; } else { if (repeat >= 10) { dest += sprintf(dest, "%c{%zu}", last, repeat); // insert repeat count } else { size_t r; for (r = 0; rsa && se[-1] == ' ') se--; *(se++) = 0; } for (t = strtok(ts,","); t; t = strtok(0,",")){ if (del && strcmp(t,del) == 0) continue; /* test, whether to delete */ if (sa[0] == 0) continue; error = g_bs_add_value_tag_to_hash(gb_main,hash,t,sa,rtag,srt,aci,gbd); /* tag found, use tag */ if (error) break; } s = se; } return error; } static long g_bs_merge_tags(const char *tag, long val, void *cd_sub_result) { struct GBS_strstruct *sub_result = (struct GBS_strstruct*)cd_sub_result; GBS_strcat(sub_result, tag); GBS_strcat(sub_result, ","); return val; } static long g_bs_read_tagged_hash(const char *value, long subhash, void *cd_g_bs_collect_tags_hash) { char *str; static int counter = 0; struct GBS_strstruct *sub_result = GBS_stropen(100); GBS_hash_do_sorted_loop((GB_HASH *)subhash, g_bs_merge_tags, GBS_HCF_sortedByKey, sub_result); GBS_intcat(sub_result, counter++); /* create a unique number */ str = GBS_strclose(sub_result); GB_HASH *g_bs_collect_tags_hash = (GB_HASH*)cd_g_bs_collect_tags_hash; GBS_write_hash(g_bs_collect_tags_hash, str,(long)strdup(value)); /* send output to new hash for sorting */ free(str); return 0; } static long g_bs_read_final_hash(const char *tag, long value, void *cd_merge_result) { struct GBS_strstruct *merge_result = (struct GBS_strstruct*)cd_merge_result; char *lk = strrchr(tag,','); if (lk) { /* remove number at end */ *lk = 0; GBS_strcat(merge_result, " ["); GBS_strcat(merge_result, tag); GBS_strcat(merge_result, "] "); } GBS_strcat(merge_result,(char *)value); return value; } static char *g_bs_get_string_of_tag_hash(GB_HASH *tag_hash){ struct GBS_strstruct *merge_result = GBS_stropen(256); GB_HASH *collect_tags_hash = GBS_create_dynaval_hash(1024, GB_IGNORE_CASE, GBS_dynaval_free); GBS_hash_do_sorted_loop(tag_hash, g_bs_read_tagged_hash, GBS_HCF_sortedByKey, collect_tags_hash); /* move everything into collect_tags_hash */ GBS_hash_do_sorted_loop(collect_tags_hash, g_bs_read_final_hash, GBS_HCF_sortedByKey, merge_result); GBS_free_hash(collect_tags_hash); return GBS_strclose(merge_result); } long g_bs_free_hash_of_hashes_elem(const char *key, long val, void *dummy) { GB_HASH *hash = (GB_HASH*)val; GBUSE(key); GBUSE(dummy); if (hash) GBS_free_hash(hash); return 0; } static void g_bs_free_hash_of_hashes(GB_HASH *hash) { GBS_hash_do_loop(hash, g_bs_free_hash_of_hashes_elem, NULL); GBS_free_hash(hash); } char *GBS_merge_tagged_strings(const char *s1, const char *tag1, const char *replace1, const char *s2, const char *tag2, const char *replace2){ /* Create a tagged string from two tagged strings: * a tagged string is somthing like '[tag,tag,tag] string [tag] string [tag,tag] string' * * if 's2' is not empty, then delete tag 'replace1' in 's1' * if 's1' is not empty, then delete tag 'replace2' in 's2' * * if result is NULL, an error has been exported. */ char *str1 = strdup(s1); char *str2 = strdup(s2); char *t1 = GBS_string_2_key(tag1); char *t2 = GBS_string_2_key(tag2); char *result = 0; GB_ERROR error = 0; GB_HASH *hash = GBS_create_hash(16, GB_MIND_CASE); if (!strlen(s1)) replace2 = 0; if (!strlen(s2)) replace1 = 0; if (replace1 && replace1[0] == 0) replace1 = 0; if (replace2 && replace2[0] == 0) replace2 = 0; error = g_bs_convert_string_to_tagged_hash(hash,str1,t1,replace1,0,0,0,0,0); if (!error) error = g_bs_convert_string_to_tagged_hash(hash,str2,t2,replace2,0,0,0,0,0); if (!error) { result = g_bs_get_string_of_tag_hash(hash); } else { GB_export_error(error); } g_bs_free_hash_of_hashes(hash); free(t2); free(t1); free(str2); free(str1); return result; } char *GBS_string_eval_tagged_string(GBDATA *gb_main, const char *s, const char *dt, const char *tag, const char *srt, const char *aci, GBDATA *gbd) { /* if 's' is untagged, tag it with default tag 'dt'. * if 'tag' is != NULL -> apply 'srt' or 'aci' to that part of the content of 's', which is tagged with 'tag' * * if result is NULL, an error has been exported. */ char *str = strdup(s); char *default_tag = GBS_string_2_key(dt); GB_HASH *hash = GBS_create_hash(16, GB_MIND_CASE); char *result = 0; GB_ERROR error = g_bs_convert_string_to_tagged_hash(hash,str,default_tag,0,gb_main,tag,srt,aci,gbd); if (!error) { result = g_bs_get_string_of_tag_hash(hash); } else { GB_export_error(error); } g_bs_free_hash_of_hashes(hash); free(default_tag); free(str); return result; } char *GB_read_as_tagged_string(GBDATA *gbd, const char *tagi){ char *s; char *tag; char *buf; char *se; /* string end */ char *sa; /* string anfang and tag end */ char *ts; /* tag start */ char *t; buf = s = GB_read_as_string(gbd); if (!s) return s; if (!tagi) return s; if (!strlen(tagi)) return s; tag = GBS_string_2_key(tagi); while(s){ ts = strchr(s,'['); if (!ts) goto notfound; /* no tag */ *(ts++) = 0; sa = strchr(ts,']'); if (!sa) goto notfound; *sa++ = 0; while (*sa == ' ') sa++; se = strchr(sa,'['); if (se) { while (se>sa && se[-1] == ' ') se--; *(se++) = 0; } for (t = strtok(ts,","); t; t = strtok(0,",")){ if (strcmp(t,tag) == 0) { s = strdup(sa); free(buf); goto found; } } s = se; } notfound: /* Nothing found */ free(buf); s = 0; found: free(tag); return s; } /* be CAREFUL : this function is used to save ARB ASCII database (i.e. properties) * used as well to save perl macros * * when changing GBS_fwrite_string -> GBS_fread_string needs to be fixed as well * * always keep in mind, that many users have databases/macros written with older * versions of this function. They MUST load proper!!! */ void GBS_fwrite_string(const char *strngi,FILE *out){ unsigned char *strng = (unsigned char *)strngi; int c; putc('"',out); while ( (c= *strng++) ) { if (c < 32) { putc('\\',out); if (c == '\n') putc('n',out); else if (c == '\t') putc('t',out); else if ( c<25 ) { putc(c+'@',out); /* characters ASCII 0..24 encoded as \@..\X (\n and \t are done above) */ }else{ putc(c+('0'-25),out);/* characters ASCII 25..31 encoded as \0..\6 */ } }else if (c == '"'){ putc('\\',out); putc('"',out); }else if (c == '\\'){ putc('\\',out); putc('\\',out); }else{ putc(c,out); } } putc('"',out); } /* Read a string from a file written by GBS_fwrite_string, * Searches first '"' * * WARNING : changing this function affects perl-macro execution (read warnings for GBS_fwrite_string) * any changes should be done in GBS_fconvert_string too. */ char *GBS_fread_string(FILE *in) { void *strstr = GBS_stropen(1024); int x; while ((x = getc(in)) != '"' ) if (x == EOF) break; /* Search first '"' */ if (x != EOF) { while ((x = getc(in)) != '"' ){ if (x == EOF) break; if (x == '\\'){ x = getc(in); if (x==EOF) break; if (x == 'n') { GBS_chrcat(strstr,'\n'); continue; } if (x == 't') { GBS_chrcat(strstr,'\t'); continue; } if (x>='@' && x <='@'+ 25) { GBS_chrcat(strstr,x-'@'); continue; } if (x>='0' && x <='9') { GBS_chrcat(strstr,x-('0'-25)); continue; } /* all other backslashes are simply skipped */ } GBS_chrcat(strstr,x); } } return GBS_strclose(strstr); } /* does similiar decoding as GBS_fread_string but works directly on an existing buffer * (WARNING : GBS_fconvert_string is used by gb_read_file which reads ARB ASCII databases!!) * * inserts \0 behind decoded string (removes the closing '"') * returns a pointer behind the end (") of the _encoded_ string * returns NULL if a 0-character is found */ char *GBS_fconvert_string(char *buffer) { char *t = buffer; char *f = buffer; int x; ad_assert(f[-1] == '"'); /* the opening " has already been read */ while ((x = *f++) != '"') { if (!x) break; if (x == '\\') { x = *f++; if (!x) break; if (x == 'n') { *t++ = '\n'; continue; } if (x == 't') { *t++ = '\t'; continue; } if (x>='@' && x <='@'+ 25) { *t++ = x-'@'; continue; } if (x>='0' && x <='9') { *t++ = x-('0'-25); continue; } /* all other backslashes are simply skipped */ } *t++ = x; } if (!x) return 0; // error (string should not contain 0-character) ad_assert(x == '"'); t[0] = 0; return f; } char *GBS_replace_tabs_by_spaces(const char *text){ int tlen = strlen(text); void *mfile = GBS_stropen(tlen * 3/2); int tabpos = 0; int c; while ((c=*(text++))) { if (c == '\t'){ int ntab = (tabpos + 8) & 0xfffff8; while(tabpos < ntab){ GBS_chrcat(mfile,' '); tabpos++; } continue; } tabpos ++; if (c== '\n'){ tabpos = 0; } GBS_chrcat(mfile,c); } return GBS_strclose(mfile); } int GBS_strscmp(const char *s1, const char *s2) { int cmp = 0; size_t idx = 0; while (!cmp) { if (!s1[idx] || !s2[idx]) break; cmp = s1[idx] - s2[idx]; ++idx; } return cmp; } const char *GBS_readable_size(unsigned long long size) { /* return human readable size information */ /* returned string is maximal 7 characters long */ if (size<1000) return GBS_global_string("%llu b", size); const char *units = "kMGTPEZY"; // kilo, Mega, Giga, Tera, ... should be enough forever int i; for (i = 0; units[i]; ++i) { char unit = units[i]; if (size<1000*1024) { double amount = size/(double)1024; if (amount<10.0) return GBS_global_string("%4.2f %cb", amount+0.005, unit); if (amount<100.0) return GBS_global_string("%4.1f %cb", amount+0.05, unit); return GBS_global_string("%i %cb", (int)(amount+0.5), unit); } size /= 1024; // next unit } ad_assert(0); return ""; } char *GBS_trim(const char *str) { // trim whitespace at beginning and end of 'str' const char *whitespace = " \t\n"; while (str[0] && strchr(whitespace, str[0])) str++; const char *end = strchr(str, 0)-1; while (end >= str && strchr(whitespace, end[0])) end--; return GB_strpartdup(str, end); } ./arbsrc_9167/ARBDB/adsystem.c0000644012664100000130000002144511440743000015745 0ustar arb_buildcoders#include #include #include /* #include */ #include #include /* hton ntoh */ #include "adlocal.h" /*#include "arbdb.h"*/ #include "arbdbt.h" static GB_CSTR gb_read_dict_data(GBDATA *gb_dict, long *size) { GB_CSTR data = 0; if (gb_dict->flags.compressed_data) { GB_internal_error("Dictionary is compressed"); data = GB_read_bytes(gb_dict); } else { data = GB_read_bytes_pntr(gb_dict); } *size = GB_read_bytes_count(gb_dict); return data; } GB_ERROR gb_load_dictionary_data(GBDATA *gb_main,const char *key, char **dict_data, long *size) { /* returns dictionary data (like saved in DB) * in a block allocated by gbm_get_mem(.., GBM_DICT_INDEX) */ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GB_ERROR error = 0; *dict_data = 0; *size = -1; gb_main = (GBDATA *)Main->data; if (key[0] == '@') { error = GB_export_error("No dictionaries for system fields"); } else { GBDATA *gb_key_data = Main->gb_key_data; GBDATA *gb_name; GB_push_my_security(gb_main); gb_name = GB_find_string(gb_key_data,"@name",key,GB_MIND_CASE,down_2_level); if (gb_name){ GBDATA *gb_key = GB_get_father(gb_name); GBDATA *gb_dict = GB_entry(gb_key,"@dictionary"); if (gb_dict) { const char *data = gb_read_dict_data(gb_dict, size); char *copy = gbm_get_mem(*size, GBM_DICT_INDEX); memcpy(copy, data, *size); *dict_data = copy; } } GB_pop_my_security(gb_main); } return error; } GB_DICTIONARY *gb_create_dict(GBDATA *gb_dict){ GB_DICTIONARY *dict = (GB_DICTIONARY *)GB_calloc(sizeof(GB_DICTIONARY),1); const char *data; GB_NINT *idata; long size; data = gb_read_dict_data(gb_dict, &size); GB_write_security_write(gb_dict,7); idata = (GB_NINT *)data; dict->words = ntohl(*idata++); dict->textlen = (int)(size - sizeof(GB_NINT)*(1+dict->words*2)); dict->offsets = idata; dict->resort = idata+dict->words; dict->text = (unsigned char*)(idata+2*dict->words); return dict; } void delete_gb_dictionary(GB_DICTIONARY *dict){ free(dict); } void gb_system_key_changed_cb(GBDATA *gbd,int *cl, GB_CB_TYPE type){ GBQUARK q = (GBQUARK)(long) cl; if (type == GB_CB_DELETE){ GB_MAIN_TYPE *Main = gb_get_main_during_cb(); delete_gb_dictionary(Main->keys[q].dictionary); Main->keys[q].dictionary = 0; Main->keys[q].gb_key = 0; }else{ gb_load_single_key_data(gbd,q); } } void gb_system_master_changed_cb(GBDATA *gbd,int *cl, GB_CB_TYPE type){ GBQUARK q = (GBQUARK)(long) cl; if (type == GB_CB_DELETE){ GB_MAIN_TYPE *Main = gb_get_main_during_cb(); Main->keys[q].gb_master_ali = 0; } else { gb_load_single_key_data(gbd,q); } } void gb_load_single_key_data(GBDATA *gb_main, GBQUARK q) { GB_MAIN_TYPE *Main = GB_MAIN(gb_main); struct gb_key_struct *ks = &Main->keys[q]; const char *key = ks->key; if (!Main->gb_key_data){ ks->compression_mask = -1; return; } gb_main = (GBDATA *)Main->data; if (key[0] == '@'){ ks->compression_mask = 0; ks->dictionary = 0; ks->gb_key_disabled = 1; ks->gb_master_ali = 0; } else { GBDATA *gb_key_data = Main->gb_key_data; GBDATA *gb_key,*gb_name,*gb_dict; GB_push_my_security(gb_main); gb_name = GB_find_string(gb_key_data,"@name",key,GB_MIND_CASE,down_2_level); if (gb_name){ gb_key= GB_get_father(gb_name); }else{ gb_key = gb_create_container(gb_key_data,"@key"); gb_name = gb_create(gb_key,"@name",GB_STRING); GB_write_string(gb_name,key); } GB_ensure_callback(gb_key,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE),gb_system_key_changed_cb,(int *)q); if (ks->dictionary) { delete_gb_dictionary(ks->dictionary); ks->dictionary = 0; } ks->compression_mask = *GBT_readOrCreate_int(gb_key,"compression_mask",-1); gb_dict = GB_entry(gb_key,"@dictionary"); ks->dictionary = gb_dict ? gb_create_dict(gb_dict) : 0; ks->gb_key = gb_key; { char buffer[256]; memset(buffer,0,256); sprintf(buffer,"%s/@master_data/@%s",GB_SYSTEM_FOLDER,key); ks->gb_master_ali = GB_search(gb_main,buffer,GB_FIND); if (ks->gb_master_ali){ GB_remove_callback(ks->gb_master_ali,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE),gb_system_master_changed_cb,(int *)q); GB_add_callback (ks->gb_master_ali,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE),gb_system_master_changed_cb,(int *)q); } } GB_pop_my_security(gb_main); } } GB_ERROR gb_save_dictionary_data(GBDATA *gb_main,const char *key,const char *dict, int size) { /* if 'dict' is NULL, an existing directory gets deleted */ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GB_ERROR error = 0; gb_main = (GBDATA *)Main->data; if (key[0] == '@') { error = GB_export_error("No dictionaries for system fields"); } else { GBDATA *gb_key_data = Main->gb_key_data; GBDATA *gb_key,*gb_name,*gb_dict; GB_push_my_security(gb_main); gb_name = GB_find_string(gb_key_data,"@name",key,GB_MIND_CASE,down_2_level); if (gb_name){ gb_key= GB_get_father(gb_name); }else{ gb_key = gb_create_container(gb_key_data,"@key"); gb_name = gb_create(gb_key,"@name",GB_STRING); GB_write_string(gb_name,key); } if (dict) { gb_dict = gb_search(gb_key,"@dictionary",GB_BYTES,1); error = GB_write_bytes(gb_dict,dict,size); } else { gb_dict = GB_entry(gb_key, "@dictionary"); if (gb_dict) { GB_delete(gb_dict); /* delete existing dictionary */ } } GB_pop_my_security(gb_main); } if (!error){ GBQUARK q = gb_key_2_quark(Main,key); gb_load_single_key_data(gb_main,q); } return error; } GB_ERROR gb_load_key_data_and_dictionaries(GBDATA *gb_main){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GBDATA *gb_key_data = gb_search(gb_main,GB_SYSTEM_FOLDER "/" GB_SYSTEM_KEY_DATA, GB_CREATE_CONTAINER,1); GBDATA *gb_key,*gb_next_key=0; int key; Main->gb_key_data = gb_key_data; if (!Main->local_mode) return 0; /* do not create anything at the client side */ GB_push_my_security(gb_main); /* First step: search unused keys and delete them */ for (gb_key = GB_entry(gb_key_data,"@key"); gb_key; gb_key = gb_next_key) { GBDATA *gb_name = GB_entry(gb_key,"@name"); const char *name = GB_read_char_pntr(gb_name); GBQUARK quark = gb_key_2_quark(Main,name); gb_next_key = GB_nextEntry(gb_key); if (quark<=0 || quark >= Main->sizeofkeys || !Main->keys[quark].key){ GB_delete(gb_key); /* delete unused key */ } } GB_create_index(gb_key_data, "@name", GB_MIND_CASE, Main->sizeofkeys*2); gb_key_2_quark(Main,"@name"); gb_key_2_quark(Main,"@key"); gb_key_2_quark(Main,"@dictionary"); gb_key_2_quark(Main,"compression_mask"); for (key=1;keysizeofkeys;key++){ char *k = Main->keys[key].key; if (!k) continue; gb_load_single_key_data(gb_main,key); } GB_pop_my_security(gb_main); return 0; } /* gain access to allow repair of broken compression * (see NT_fix_dict_compress) */ struct DictData { char *data; long size; }; struct DictData *GB_get_dictionary(GBDATA *gb_main, const char *key) { /* return DictData or * NULL if no dictionary or error occurred */ struct DictData *dd = (struct DictData*)GB_calloc(1, sizeof(*dd)); GB_ERROR error = gb_load_dictionary_data(gb_main, key, &dd->data, &dd->size); if (error || !dd->data) { GB_free_dictionary(dd); dd = NULL; if (error) GB_export_error(error); } return dd; } GB_ERROR GB_set_dictionary(GBDATA *gb_main, const char *key, const struct DictData *dd) { /* if 'dd' == NULL -> delete dictionary */ GB_ERROR error; if (dd) { error = gb_save_dictionary_data(gb_main, key, dd->data, dd->size); } else { error = gb_save_dictionary_data(gb_main, key, NULL, 0); } return error; } void GB_free_dictionary(struct DictData *dd) { if (dd) { if (dd->data) gbm_free_mem(dd->data, dd->size, GBM_DICT_INDEX); free(dd); } } ./arbsrc_9167/ARBDB/adtables.c0000644012664100000130000002004211440743000015663 0ustar arb_buildcoders#include #include #include #include "adlocal.h" /* #include "arbdb.h" */ #include "arbdbt.h" /* *************** tables, for ARB BIO storage ******************* * hierarchical organization: * main: * table_data: * table: * name (indexed by default) * entries * entry * name (which is an id) * .... * entry * ... * fields * field * name * type * description * field * .... * } * } */ GBDATA *gbt_table_link_follower(GBDATA *gb_main, GBDATA *gb_link, const char *link) { GBDATA *gb_table; char save; char *sep; GBUSE(gb_main); GBUSE(gb_link); sep = strchr(link,':'); if (!sep){ GB_export_errorf("Link '%s' is missing second ':' tag", link); return NULL; } save = *sep; *sep = 0; gb_table = GBT_open_table(gb_main,link,1); *sep = save; if (!gb_table){ GB_export_errorf("Table '%s' does not exist",link); return NULL; } return GBT_find_table_entry(gb_table,sep+1); } GB_ERROR GBT_install_table_link_follower(GBDATA *gb_main){ GB_install_link_follower(gb_main,"T",gbt_table_link_follower); return 0; } #ifdef __cplusplus extern "C" { #endif static void g_bt_table_deleted(GBDATA *gb_table,int *clientdata, GB_CB_TYPE gbtype){ GB_MAIN_TYPE *Main = gb_get_main_during_cb(); GBUSE(gb_table); GBUSE(gbtype); GBUSE(clientdata); GBS_free_hash(Main->table_hash); Main->table_hash = GBS_create_hash(256, GB_MIND_CASE); } #ifdef __cplusplus } #endif GBDATA *GBT_open_table(GBDATA *gb_table_root,const char *table_name, GB_BOOL read_only){ /** open a table. This routines is optimized to look for existing tables */ GBDATA *gb_table; GBDATA *gb_table_name; GBDATA *gb_table_description; GBDATA *gb_table_data; GBDATA *gb_table_entries; GBDATA *gb_table_fields; GBDATA *gb_table_name_field; GB_MAIN_TYPE *Main = GB_MAIN(gb_table_root); gb_table = (GBDATA *)GBS_read_hash(Main->table_hash,table_name); if (gb_table) return gb_table; gb_table_data = GB_search(gb_table_root,"table_data",GB_CREATE_CONTAINER); GB_create_index(gb_table_data,"name",GB_IGNORE_CASE,256); gb_table_name = GB_find_string(gb_table_data,"name",table_name,GB_IGNORE_CASE,down_2_level); if (gb_table_name) return GB_get_father(gb_table_name); if (read_only) return NULL; /* now lets create the table */ gb_table = GB_create_container(gb_table_data,"table"); GB_add_callback(gb_table,GB_CB_DELETE,g_bt_table_deleted,0); gb_table_name = GB_create(gb_table,"name",GB_STRING); gb_table_description = GB_create(gb_table,"description",GB_STRING); GB_write_string(gb_table_name,table_name); GB_write_security_levels(gb_table_name,0,7,7); /* nether delete or change the name */ GB_write_string(gb_table_description,"No description"); gb_table_entries = GB_create_container(gb_table,"entries"); GB_write_security_levels(gb_table_entries,0,0,7); /* nether delete this */ gb_table_fields = GB_create_container(gb_table,"fields"); GB_write_security_levels(gb_table_fields,0,0,7); /* nether intended to be deleted */ gb_table_name_field = GBT_open_table_field(gb_table,"name",GB_STRING); /* for the id */ GB_write_security_levels(gb_table_name_field,0,0,7); /* Never delete name field */ return gb_table; } GBDATA *GBT_first_table(GBDATA *gb_main){ GBDATA *gb_table_data; GBDATA *gb_table; gb_table_data = GB_search(gb_main,"table_data",GB_CREATE_CONTAINER); GB_create_index(gb_table_data,"name",GB_IGNORE_CASE,256); gb_table = GB_entry(gb_table_data,"table"); return gb_table; } GBDATA *GBT_next_table(GBDATA *gb_table){ gb_assert(GB_has_key(gb_table, "table")); return GB_nextEntry(gb_table); } GBDATA *GBT_first_table_entry(GBDATA *gb_table){ GBDATA *gb_entries = GB_entry(gb_table,"entries"); return GB_entry(gb_entries,"entry"); } GBDATA *GBT_first_marked_table_entry(GBDATA *gb_table){ GBDATA *gb_entries = GB_entry(gb_table,"entries"); return GB_first_marked(gb_entries,"entry"); } GBDATA *GBT_next_table_entry(GBDATA *gb_table_entry){ gb_assert(GB_has_key(gb_table_entry, "entry")); return GB_nextEntry(gb_table_entry); } GBDATA *GBT_next_marked_table_entry(GBDATA *gb_table_entry){ return GB_next_marked(gb_table_entry,"entry"); } GBDATA *GBT_find_table_entry(GBDATA *gb_table,const char *id){ GBDATA *gb_entries = GB_entry(gb_table,"entries"); GBDATA *gb_entry_name = GB_find_string(gb_entries,"name",id,GB_IGNORE_CASE,down_2_level); if (!gb_entry_name) return NULL; return GB_get_father(gb_entry_name); } GBDATA *GBT_open_table_entry(GBDATA *gb_table, const char *id){ GBDATA *gb_entries = GB_entry(gb_table,"entries"); GBDATA *gb_entry_name = GB_find_string(gb_entries,"name",id,GB_IGNORE_CASE,down_2_level); GBDATA *gb_entry; if (gb_entry_name) GB_get_father(gb_entry_name); gb_entry = GB_create_container(gb_entries,"entry"); gb_entry_name = GB_create(gb_entry,"name",GB_STRING); GB_write_string(gb_entry_name,id); return gb_entry; } GBDATA *GBT_first_table_field(GBDATA *gb_table){ GBDATA *gb_fields = GB_entry(gb_table,"fields"); return GB_entry(gb_fields,"field"); } GBDATA *GBT_first_marked_table_field(GBDATA *gb_table){ GBDATA *gb_fields = GB_entry(gb_table,"fields"); return GB_first_marked(gb_fields,"field"); } GBDATA *GBT_next_table_field(GBDATA *gb_table_field){ gb_assert(GB_has_key(gb_table_field, "field")); return GB_nextEntry(gb_table_field); } GBDATA *GBT_next_marked_table_field(GBDATA *gb_table_field){ return GB_next_marked(gb_table_field,"field"); } GBDATA *GBT_find_table_field(GBDATA *gb_table,const char *id){ GBDATA *gb_fields = GB_entry(gb_table,"fields"); GBDATA *gb_field_name = GB_find_string(gb_fields,"name",id,GB_IGNORE_CASE,down_2_level); if (!gb_field_name) return NULL; return GB_get_father(gb_field_name); } GB_TYPES GBT_get_type_of_table_entry_field(GBDATA *gb_table,const char *fieldname){ GBDATA *gb_fields = GB_entry(gb_table,"fields"); GBDATA *gb_field_name = GB_find_string(gb_fields,"name",fieldname,GB_IGNORE_CASE,down_2_level); GBDATA *gb_field_type; if (!gb_field_name) return GB_NONE; gb_field_type = GB_entry(gb_field_name,"type"); return (GB_TYPES) GB_read_int(gb_field_type); } GB_ERROR GBT_savely_write_table_entry_field(GBDATA *gb_table,GBDATA *gb_entry, const char *fieldname,const char *value_in_ascii_format){ GBDATA *gb_entry_field; GB_TYPES type = GBT_get_type_of_table_entry_field(gb_table,fieldname); if (type == GB_NONE){ return GB_export_errorf("There is no field description '%s' for your table", fieldname); } gb_entry_field = GB_search(gb_entry,"fieldname",type); return GB_write_as_string(gb_entry_field,value_in_ascii_format); } GBDATA *GBT_open_table_field(GBDATA *gb_table, const char *fieldname, GB_TYPES type_of_field){ GBDATA *gb_table_field = GBT_find_table_field(gb_table, fieldname); GBDATA *gb_table_field_name; GBDATA *gb_table_field_type; GBDATA *gb_table_field_description; GBDATA *gb_fields; if (gb_table_field) return gb_table_field; gb_fields = GB_entry(gb_table,"fields"); gb_table_field = GB_create_container(gb_fields,"field"); gb_table_field_name = GB_create(gb_table_field,"name",GB_STRING); GB_write_string(gb_table_field_name,fieldname); GB_write_security_levels(gb_table_field_name,0,7,7); /* never change this */ gb_table_field_type = GB_create(gb_table_field,"type",GB_INT); GB_write_int(gb_table_field_type,type_of_field); GB_write_security_levels(gb_table_field_type,0,7,7); gb_table_field_description = GB_create(gb_table_field,"description",GB_STRING); GB_write_string(gb_table_field_description,"No description yet"); return gb_table_field; } ./arbsrc_9167/ARBDB/adtcp.c0000644012664100000130000004061411440743000015206 0ustar arb_buildcoders/* =============================================================== */ /* */ /* File : adtcp.c */ /* Purpose : arb_tcp.dat handling */ /* */ /* Coded by Ralf Westram (coder@reallysoft.de) in April 2007 */ /* Institute of Microbiology (Technical University Munich) */ /* www.arb-home.de */ /* =============================================================== */ #include #include #include #include #include #include "adlocal.h" #include "arbdbt.h" #if defined(DEBUG) /* #define DUMP_ATD_ACCESS */ #endif /* DEBUG */ /* ------------------------------------------------------------ */ /* Data representing current content of arb_tcp.dat */ static GB_ULONG ATD_modtime = -1; /* modification time of read-in arb_tcp.dat */ static char *ATD_filename = 0; /* pathname of loaded arb_tcp.dat */ static char **ATD_content = 0; /* zero-pointer terminated array of multi-separated strings * (strings have same format as the result of * GBS_read_arb_tcp(), but also contain the first element, * i.e. the server id) */ /* ------------------------------------------------------------ */ static const char *get_ATD_entry(const char *serverID) { const char *result = 0; if (ATD_content) { int c; for (c = 0; ATD_content[c]; c++) { const char *id = ATD_content[c]; if (strcmp(id, serverID) == 0) { result = strchr(id, 0)+1; /* return pointer to first parameter */ break; } } } return result; } /* ------------------------------------------------------------ */ #if defined(DUMP_ATD_ACCESS) static void dump_ATD() { printf("ATD_filename='%s'\n", ATD_filename); printf("ATD_modtime='%lu'\n", ATD_modtime); if (ATD_content) { int c; for (c = 0; ATD_content[c]; c++) { char *data = ATD_content[c]; char *tok = data; printf("Entry #%i:\n", c); while (tok[0]) { printf("- '%s'\n", tok); tok = strchr(tok, 0)+1; } } } else { printf("No ATD_content\n"); } } #endif /* DUMP_ATD_ACCESS */ /* ------------------------------------------------------------ */ static void freeContent() { if (ATD_content) { int c; for (c = 0; ATD_content[c]; c++) free(ATD_content[c]); freeset(ATD_content, 0); } } #define MAXLINELEN 512 #define MAXTOKENS 10 static GB_ERROR read_arb_tcp_dat(const char *filename, int *versionFound) { /* used to read arb_tcp.dat or arb_tcp_org.dat */ GB_ERROR error = 0; FILE *in = fopen(filename, "rt"); *versionFound = 1; // default to version 1 (old format) #if defined(DUMP_ATD_ACCESS) printf("(re)reading %s\n", filename); #endif /* DUMP_ATD_ACCESS */ freeContent(); if (!in) { error = GBS_global_string("Can't read '%s'", filename); } else { char buffer[MAXLINELEN+1]; char *lp; int lineNumber = 0; char **tokens = malloc(MAXTOKENS*sizeof(*tokens)); int entries_allocated = 30; int entries = 0; char **entry = malloc(entries_allocated*sizeof(*entry)); if (!tokens || !entry) error = "Out of memory"; for (lp = fgets(buffer, MAXLINELEN, in); lp && !error; lp = fgets(buffer, MAXLINELEN, in)) { char *tok; int tokCount = 0; int t; lineNumber++; while ((tok = strtok(lp, " \t\n"))) { if (tok[0] == '#') break; /* EOL comment -> stop */ if (tokCount >= MAXTOKENS) { error = "Too many tokens"; break; } tokens[tokCount] = tokCount ? GBS_eval_env(tok) : strdup(tok); if (!tokens[tokCount]) { error = GB_await_error(); break; } tokCount++; lp = 0; } if (!error && tokCount>0) { if (strcmp(tokens[0], "ARB_TCP_DAT_VERSION") == 0) { if (tokCount>1) *versionFound = atoi(tokens[1]); } else { char *data; { int allsize = 0; int size[MAXTOKENS]; for (t = 0; t #include #include #include #include /*#include "arbdb.h"*/ #include "adlocal.h" #include "admap.h" #define VERBOSE 0 static const char *actType = "none"; static void *actData = NULL; static int actQuark = 0; void err_hook() { int x=2; x=x; } #define err(gbd,quark,type,mess) \ do { \ fprintf(stderr, "(%s*)0x%p(=%s) %s (in (%s*)0x%p(=%s))\n",\ type,gbd,Main->keys[quark].key,mess,\ actType,actData,Main->keys[actQuark].key); \ err=1; \ err_hook();\ } while (0) #define errGBD(gbd,quark,mess) err(gbd,quark,"GBDATA",mess) #define errGBC(gbc,quark,mess) err(gbc,quark,"GBCONTAINER",mess) void testData(GB_MAIN_TYPE *Main, GBDATA *gbd, long server_id, int key_quark) { int err = 0; #if (VERBOSE>=2) printf("Teste (GBDATA*)0x%p (=%s)\n", gbd, Main->keys[key_quark].key); #endif if (gbd->server_id != server_id) errGBD(gbd, key_quark, "illegal server id"); } void testContainer(GB_MAIN_TYPE *Main,GBCONTAINER *gbc, long server_id, int key_quark) { struct gb_header_list_struct *header; int item, err=0; const char *oldType = actType; void *oldData = actData; int oldQuark = actQuark; #if (VERBOSE>=1) printf("Teste (GBCONTAINER*)0x%p (=%s)\n", gbc, Main->keys[key_quark].key); #endif actType = "GBCONTAINER"; actData = gbc; actQuark = key_quark; if (gbc->server_id != server_id) { errGBC(gbc, actQuark, "illegal server id"); } header = GB_DATA_LIST_HEADER(gbc->d); for (item=0; itemd.nheader; item++) { GBDATA *gbd = GB_HEADER_LIST_GBD(header[item]); GBCONTAINER *father; int type, quark = header[item].flags.key_quark; if (!gbd) continue; if (quark>=Main->sizeofkeys) { fprintf(stderr, "Illegal quark %i\n", quark); continue; } if (!gbd) errGBC(gbc,key_quark,"NULL-GBDATA in header-list"); type = GB_TYPE(gbd); if (type==GB_DB) testContainer(Main,(GBCONTAINER*)gbd, server_id, quark); else testData(Main,gbd,server_id,quark); father = GB_FATHER(gbd); if (!father) { errGBD(gbd, quark, "has no father."); } else if (father!=gbc) { errGBD(gbd, quark,"is not son of.."); } else if (gbd->index!=item) { errGBD(gbd, quark,"index mismatch.."); } else if (err) { errGBD(gbd, quark,"is correct connected to.."); } } actType = oldType; actData = oldData; actQuark = oldQuark; } void gb_testDB(GBDATA *gbd) { GB_MAIN_TYPE *Main = 0; GBCONTAINER *gbc; long server_id; int err=0; actType = "GB_MAIN_TYPE"; actData = gbd; actQuark = 0; gbc = GB_FATHER(gbd); Main = GBCONTAINER_MAIN(gbc); if (!gbc) { fprintf(stderr, "(GBDATA*)0x%p has no father\n", gbd); err_hook(); } if (!Main) { fprintf(stderr, "(GBCONTAINER*)0x%p has no main-entry\n", gbc); err_hook(); } gbc = Main->data; if (!gbc) { err(Main, actQuark, "GB_MAIN_TYPE","has no data"); } server_id = gbc->server_id; if (GB_FATHER(gbc)!=Main->dummy_father) { errGBC(gbc, actQuark, "mainContainer's father != dummy_father"); } if (Main->dummy_father->server_id != server_id) { errGBC(Main->dummy_father, actQuark, "illegal server id"); } if (!err) testContainer(Main,gbc,server_id,0); printf("testDB passed.\n"); } const char *GB_get_type_name(GBDATA *gbd) { int type = GB_TYPE(gbd); const char *type_name; switch (type) { case GB_INT: { type_name = "GB_INT"; break; } case GB_FLOAT: { type_name = "GB_FLOAT"; break; } case GB_BYTE: { type_name = "GB_BYTE"; break; } case GB_STRING: { type_name = "GB_STRING"; break; } case GB_LINK: { type_name = "GB_LINK"; break; } case GB_BITS: { type_name = "GB_BITS"; break; } case GB_BYTES: { type_name = "GB_BYTES"; break; } case GB_INTS: { type_name = "GB_INTS"; break; } case GB_FLOATS: { type_name = "GB_FLOATS"; break; } case GB_DB: { type_name = "GB_DB"; break; } default: { static char *unknownType = 0; freeset(unknownType, GBS_global_string_copy("", type)); type_name = unknownType; break; } } return type_name; } const char *GB_get_db_path(GBDATA *gbd) { GBDATA *gb_father = (GBDATA*)GB_FATHER(gbd); if (gb_father) { char *father_path = strdup(GB_get_db_path(gb_father)); static char *result; // careful! used recursively freeset(result, GBS_global_string_copy("%s/%s", father_path, GB_KEY(gbd))); free(father_path); return result; } return ""; } void GB_dump_db_path(GBDATA *gbd) { printf("Path to GBDATA %p (type=%s) is '%s'\n", gbd, GB_get_type_name(gbd), GB_get_db_path(gbd)); } static void GB_dump_internal(GBDATA *gbd, int *lines_allowed) { static int indent = 0; int type = GB_TYPE(gbd); const char *type_name = GB_get_type_name(gbd); const char *key_name = 0; const char *content = 0; unsigned long content_len = 0; GBCONTAINER *father = GB_FATHER(gbd); GBDATA *gb_show_later = 0; char *whatto_show_later = 0; GB_BOOL showChilds = GB_TRUE; if (father) { int index_pos = (int)gbd->index; /* my index position in father */ struct gb_header_list_struct *hls = &(GB_DATA_LIST_HEADER(father->d)[index_pos]); if (!hls) { key_name = GBS_global_string("", index_pos); father = 0; // otherwise crash below } else { GBDATA *gb_self = GB_HEADER_LIST_GBD(*hls); if (gb_self != gbd) { key_name = GBS_global_string(""); if (gb_self) { gb_show_later = gb_self; whatto_show_later = GBS_global_string_copy("Element linked at index pos of %p", gbd); } father = 0; // otherwise crash below } // otherwise father looks fine } } if (father) { GB_BOOL is_db_server = GB_is_server(gbd); if (is_db_server && gbd->server_id != GBTUM_MAGIC_NUMBER) { key_name = GBS_global_string("", (void*)gbd->server_id); } else if (is_db_server && father->server_id != GBTUM_MAGIC_NUMBER) { key_name = GBS_global_string("", (void*)father->server_id); father = 0; /* avoids crashes below */ } else { key_name = GB_KEY_QUARK(gbd) ? GB_KEY(gbd) : ""; } } if (!father && !key_name) { key_name = ""; showChilds = GB_FALSE; } else { // test if we need a transaction if (!GB_MAIN(gbd)->transaction) { GB_push_transaction(gbd); GB_dump_internal(gbd, lines_allowed); GB_pop_transaction(gbd); return; } } if (indent == 0) { printf("\nGB_dump of '%s':\n", father ? GB_get_db_path(gbd) : ""); if (lines_allowed) (*lines_allowed)--; } if (father) { if (GB_ARRAY_FLAGS(gbd).changed == gb_deleted) { content = ""; } else { switch (type) { case GB_INT: { content = GBS_global_string("%li", GB_read_int(gbd)); break; } case GB_FLOAT: { content = GBS_global_string("%f", (float)GB_read_float(gbd)); break; } case GB_BYTE: { content = GBS_global_string("%i", GB_read_byte(gbd)); break; } case GB_STRING: { content = GB_read_char_pntr(gbd); content_len = GB_read_count(gbd); break; } case GB_LINK: { content = GBS_global_string("link to %p", GB_follow_link(gbd)); break; } case GB_BITS: { break; } case GB_BYTES: { break; } case GB_INTS: { break; } case GB_FLOATS: { break; } case GB_DB: { content = "see below"; break; } default: { content = ""; break; } } } } if (content==0) { if (GB_have_error()) { content = GBS_global_string("", GB_await_error()); } else { content = ""; } } if (content_len == 0) content_len = strlen(content); { char *prefix = GBS_global_string_copy("%*s %-15s gbd=%p type=%s content=", indent, "", key_name, gbd, type_name); unsigned wrappos = 500; char *toFree = 0; if (content_len > wrappos) { toFree = strdup(content); content = toFree; content_len = GBS_shorten_repeated_data(toFree); } if (content_len <= wrappos) { printf("%s'%s'\n", prefix, content); if (lines_allowed) (*lines_allowed)--; } else { char *buffer = malloc(wrappos+1); unsigned long rest = content_len; const char *from = content; int cleared = 0; buffer[wrappos] = 0; while (rest) { memcpy(buffer, from, wrappos); rest = rest>wrappos ? rest-wrappos : 0; from += wrappos; printf("%s'%s'\n", prefix, buffer); if (lines_allowed && --(*lines_allowed) <= 0) break; if (!cleared) { memset(prefix, ' ', strlen(prefix)); cleared = 1; } } free(buffer); } free(prefix); free(toFree); } if (type==GB_DB && showChilds == GB_TRUE) { GBCONTAINER *gbc = (GBCONTAINER*)gbd; GBDATA *gbp; if (gbd->flags2.folded_container) gb_unfold(gbc, -1, -1); for (gbp = GB_child(gbd); gbp; gbp = GB_nextChild(gbp)) { ++indent; GB_dump_internal(gbp, lines_allowed); --indent; if (lines_allowed && (*lines_allowed)<0) break; } } if (gb_show_later) { if (!lines_allowed || (*lines_allowed)>0) { printf("%*s Showing %s:\n", indent, "", whatto_show_later); freeset(whatto_show_later, NULL); ++indent; GB_dump_internal(gb_show_later, lines_allowed); --indent; } } } void GB_dump(GBDATA *gbd) { int max_lines = 2500; GB_dump_internal(gbd, &max_lines); if (max_lines <= 0) { printf("Warning: Dump has been aborted (too many lines)\n" "[use GB_dump_no_limit() if you really want to dump all]\n"); } } void GB_dump_no_limit(GBDATA *gbd) { GB_dump_internal(gbd, 0); } /* -------------------------------------------------------------------------------- */ /* Fix database */ /* -------------------------------------------------------------------------------- */ static GB_ERROR gb_fix_recursive(GBDATA *gbd) { GBDATA *gbp; int type = GB_TYPE(gbd); if (type == GB_DB) { for (gbp = GB_child(gbd); gbp; gbp = GB_nextChild(gbp)) { gb_fix_recursive(gbp); } } else { int key_quark = GB_KEY_QUARK(gbd); if (key_quark == 0) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); const char *new_key_try = GBS_global_string("illegal_zero_key_%s", GB_get_type_name(gbd)); char *new_key_name = GBS_string_2_key(new_key_try); GBQUARK keyq = gb_key_2_quark(Main, new_key_name); printf("new_key_name='%s'\n", new_key_name); ad_assert(keyq != 0); { long gbm_index = GB_QUARK_2_GBMINDEX(Main, keyq); GB_GBM_INDEX(gbd) = gbm_index; // set new index /* @@@ FIXME: above command has no effect */ printf("Fixed zero key_quark of GBDATA at %p\n", gbd); GB_dump_db_path(gbd); } free(new_key_name); } } return 0; } GB_ERROR GB_fix_database(GBDATA *gb_main) { GB_ERROR err = GB_begin_transaction(gb_main); if (!err) err = gb_fix_recursive(gb_main); return GB_end_transaction(gb_main, err); } ./arbsrc_9167/ARBDB/ad_t_lpro.h0000644012664100000130000000273311440743000016063 0ustar arb_buildcoders/* * Internal toolkit. * * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef AD_T_LPRO_H #define AD_T_LPRO_H #ifndef P_ # error P_ is not defined #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* adseqcompr.c */ char *gb_compress_seq_by_master P_((const char *master, int master_len, int master_index, GBQUARK q, const char *seq, long seq_len, long *memsize, int old_flag)); char *gb_compress_sequence_by_master P_((GBDATA *gbd, const char *master, int master_len, int master_index, GBQUARK q, const char *seq, int seq_len, long *memsize)); char *gb_uncompress_by_sequence P_((GBDATA *gbd, const char *ss, long size, GB_ERROR *error, long *new_size)); /* adtables.c */ GBDATA *gbt_table_link_follower P_((GBDATA *gb_main, GBDATA *gb_link, const char *link)); /* adChangeKey.c */ GB_ERROR gbt_set_type_of_changekey P_((GBDATA *gb_main, const char *field_name, GB_TYPES type, const char *change_key_path)); /* adtree.c */ GBT_TREE *gbt_read_tree_rek P_((char **data, long *startid, GBDATA **gb_tree_nodes, long structure_size, int size_of_tree, GB_ERROR *error)); int gbt_sum_leafs P_((GBT_TREE *tree)); GB_CSTR *gbt_fill_species_names P_((GB_CSTR *des, GBT_TREE *tree)); /* adname.c */ GB_ERROR gbt_rename_tree_rek P_((GBT_TREE *tree, int tree_index)); #ifdef __cplusplus } #endif #else #error ad_t_lpro.h included twice #endif /* AD_T_LPRO_H */ ./arbsrc_9167/ARBDB/adtools.c0000644012664100000130000007554611440743000015574 0ustar arb_buildcoders/* ============================================================ */ /* */ /* File : adtools.c */ /* Purpose : misc function */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* www.arb-home.de */ /* */ /* ============================================================ */ #include #include #include "adlocal.h" #include "arbdbt.h" GBDATA *GBT_find_or_create(GBDATA *Main,const char *key,long delete_level) { GBDATA *gbd; gbd = GB_entry(Main,key); if (gbd) return gbd; gbd = GB_create_container(Main,key); GB_write_security_delete(gbd,delete_level); return gbd; } /* the following function were meant to use user defined values. * * Especially for 'ECOLI' there is already a possibility to * specify a different reference in edit4, but there's no * data model in the DB for it. Consider whether it makes sense, * if secedit uses it as well. * * Note: Don't change the result type to 'const char *' even if the functions always * return the same atm. That may change. */ char *GBT_get_default_helix(GBDATA *gb_main) { GBUSE(gb_main); return strdup("HELIX"); } char *GBT_get_default_helix_nr(GBDATA *gb_main) { GBUSE(gb_main); return strdup("HELIX_NR"); } char *GBT_get_default_ref(GBDATA *gb_main) { GBUSE(gb_main); return strdup("ECOLI"); } /******************************************************************************************** check routines ********************************************************************************************/ GB_ERROR GBT_check_arb_file(const char *name) /* Checks whether the name of a file seemed to be an arb file */ /* if == 0 it was an arb file */ { FILE *in; long i; char buffer[100]; if (strchr(name,':')) return 0; in = fopen(name,"r"); if (!in) return GB_export_errorf("Cannot find file '%s'",name); i = gb_read_in_long(in, 0); if ( (i== 0x56430176) || (i == GBTUM_MAGIC_NUMBER) || (i == GBTUM_MAGIC_REVERSED)) { fclose(in); return 0; } rewind(in); fgets(buffer,50,in); fclose(in); if (!strncmp(buffer,"/*ARBDB AS",10)) { return 0; }; return GB_export_errorf("'%s' is not an arb file",name); } /******************************************************************************************** analyse the database ********************************************************************************************/ #define GBT_SUM_LEN 4096 /* maximum length of path */ struct DbScanner { GB_HASH *hash_table; int count; char **result; GB_TYPES type; char *buffer; }; static void gbt_scan_db_rek(GBDATA *gbd,char *prefix, int deep, struct DbScanner *scanner) { GB_TYPES type = GB_read_type(gbd); GBDATA *gb2; const char *key; int len_of_prefix; if (type == GB_DB) { len_of_prefix = strlen(prefix); for (gb2 = GB_child(gbd); gb2; gb2 = GB_nextChild(gb2)) { /* find everything */ if (deep){ key = GB_read_key_pntr(gb2); sprintf(&prefix[len_of_prefix],"/%s",key); gbt_scan_db_rek(gb2, prefix, 1, scanner); } else { prefix[len_of_prefix] = 0; gbt_scan_db_rek(gb2, prefix, 1, scanner); } } prefix[len_of_prefix] = 0; } else { if (GB_check_hkey(prefix+1)) { prefix = prefix; /* for debugging purpose */ } else { prefix[0] = (char)type; GBS_incr_hash(scanner->hash_table, prefix); } } } static long gbs_scan_db_count(const char *key, long val, void *cd_scanner) { struct DbScanner *scanner = (struct DbScanner*)cd_scanner; scanner->count++; key = key; return val; } struct scan_db_insert { struct DbScanner *scanner; const char *datapath; }; static long gbs_scan_db_insert(const char *key, long val, void *cd_insert_data) { struct scan_db_insert *insert = (struct scan_db_insert *)cd_insert_data; char *to_insert = 0; if (!insert->datapath) { to_insert = strdup(key); } else { if (GBS_strscmp(insert->datapath, key+1) == 0) { // datapath matches to_insert = strdup(key+strlen(insert->datapath)); // cut off prefix to_insert[0] = key[0]; // copy type } } if (to_insert) { struct DbScanner *scanner = insert->scanner; scanner->result[scanner->count++] = to_insert; } return val; } static int gbs_scan_db_compare(const void *left, const void *right, void *unused){ GBUSE(unused); return strcmp((GB_CSTR)left+1, (GB_CSTR)right+1); } char **GBT_scan_db(GBDATA *gbd, const char *datapath) { /* returns a NULL terminated array of 'strings': * - each string is the path to a node beyond gbd; * - every string exists only once * - the first character of a string is the type of the entry * - the strings are sorted alphabetically !!! * * if datapath != 0, only keys with prefix datapath are scanned and * the prefix is removed from the resulting key_names. * * @@@ this function is incredibly slow when called from clients */ struct DbScanner scanner; scanner.hash_table = GBS_create_hash(1024, GB_MIND_CASE); scanner.buffer = (char *)malloc(GBT_SUM_LEN); strcpy(scanner.buffer,""); gbt_scan_db_rek(gbd, scanner.buffer, 0, &scanner); scanner.count = 0; GBS_hash_do_loop(scanner.hash_table, gbs_scan_db_count, &scanner); scanner.result = (char **)GB_calloc(sizeof(char *),scanner.count+1); /* null terminated result */ scanner.count = 0; struct scan_db_insert insert = { &scanner, datapath, }; GBS_hash_do_loop(scanner.hash_table, gbs_scan_db_insert, &insert); GBS_free_hash(scanner.hash_table); GB_sort((void **)scanner.result, 0, scanner.count, gbs_scan_db_compare, 0); free(scanner.buffer); return scanner.result; } /******************************************************************************************** send a message to the db server to AWAR_ERROR_MESSAGES ********************************************************************************************/ static void new_gbt_message_created_cb(GBDATA *gb_pending_messages, int *cd, GB_CB_TYPE cbt) { static int avoid_deadlock = 0; GBUSE(cd); GBUSE(cbt); if (!avoid_deadlock) { GBDATA *gb_msg; avoid_deadlock++; GB_push_transaction(gb_pending_messages); for (gb_msg = GB_entry(gb_pending_messages, "msg"); gb_msg;) { { const char *msg = GB_read_char_pntr(gb_msg); GB_warning(msg); } { GBDATA *gb_next_msg = GB_nextEntry(gb_msg); GB_delete(gb_msg); gb_msg = gb_next_msg; } } GB_pop_transaction(gb_pending_messages); avoid_deadlock--; } } void GBT_install_message_handler(GBDATA *gb_main) { GBDATA *gb_pending_messages; GB_push_transaction(gb_main); gb_pending_messages = GB_search(gb_main, AWAR_ERROR_CONTAINER, GB_CREATE_CONTAINER); GB_add_callback(gb_pending_messages, GB_CB_SON_CREATED, new_gbt_message_created_cb, 0); GB_pop_transaction(gb_main); #if defined(DEBUG) && 0 GBT_message(GB_get_root(gb_pending_messages), GBS_global_string("GBT_install_message_handler installed for gb_main=%p", gb_main)); #endif /* DEBUG */ } void GBT_message(GBDATA *gb_main, const char *msg) { // When called in client(or server) this causes the DB server to show the message. // Message is showed via GB_warning (which uses aw_message in GUIs) // // Note: The message is not shown before the transaction ends. // If the transaction is aborted, the message is never shown! // // see also : GB_warning GB_ERROR error = GB_push_transaction(gb_main); if (!error) { GBDATA *gb_pending_messages = GB_search(gb_main, AWAR_ERROR_CONTAINER, GB_CREATE_CONTAINER); GBDATA *gb_msg = gb_pending_messages ? GB_create(gb_pending_messages, "msg", GB_STRING) : 0; if (!gb_msg) error = GB_await_error(); else { gb_assert(msg); error = GB_write_string(gb_msg, msg); } } error = GB_end_transaction(gb_main, error); if (error) { fprintf(stderr, "GBT_message: Failed to write message '%s'\n(Reason: %s)\n", msg, error); } } /* ---------------------------------------- * conversion between * * - char ** (heap-allocated array of heap-allocated char*'s) * - one string containing several substrings separated by a separator * (e.g. "name1,name2,name3") */ #if defined(DEVEL_RALF) #warning search for code which is splitting strings and use GBT_split_string there #warning rename to GBS_split_string and move to string functions #endif /* DEVEL_RALF */ char **GBT_split_string(const char *namelist, char separator, int *countPtr) { // Split 'namelist' into an array of names at 'separator'. // Use GBT_free_names() to free it. // Sets 'countPtr' to the number of names found int sepCount = 0; const char *sep = namelist; while (sep) { sep = strchr(sep, separator); if (sep) { ++sep; ++sepCount; } } char **result = malloc((sepCount+2)*sizeof(*result)); // 3 separators -> 4 names (plus terminal NULL) int count = 0; for (; count < sepCount; ++count) { sep = strchr(namelist, separator); gb_assert(sep); result[count] = GB_strpartdup(namelist, sep-1); namelist = sep+1; } result[count++] = strdup(namelist); result[count] = NULL; if (countPtr) *countPtr = count; return result; } char *GBT_join_names(const char *const *names, char separator) { struct GBS_strstruct *out = GBS_stropen(1000); if (names[0]) { GBS_strcat(out, names[0]); gb_assert(strchr(names[0], separator) == 0); // otherwise you'll never be able to GBT_split_string int n; for (n = 1; names[n]; ++n) { GBS_chrcat(out, separator); GBS_strcat(out, names[n]); gb_assert(strchr(names[n], separator) == 0); // otherwise you'll never be able to GBT_split_string } } return GBS_strclose(out); } void GBT_free_names(char **names) { char **pn; for (pn = names; *pn;pn++) free(*pn); free((char *)names); } /* ---------------------------------------- */ /* read value from database field * returns 0 in case of error (use GB_await_error()) * or when field does not exist * * otherwise GBT_read_string returns a heap copy * other functions return a pointer to a temporary variable (invalidated by next call) */ char *GBT_read_string(GBDATA *gb_container, const char *fieldpath){ GBDATA *gbd; char *result = NULL; GB_push_transaction(gb_container); gbd = GB_search(gb_container,fieldpath,GB_FIND); if (gbd) result = GB_read_string(gbd); GB_pop_transaction(gb_container); return result; } char *GBT_read_as_string(GBDATA *gb_container, const char *fieldpath){ GBDATA *gbd; char *result = NULL; GB_push_transaction(gb_container); gbd = GB_search(gb_container,fieldpath,GB_FIND); if (gbd) result = GB_read_as_string(gbd); GB_pop_transaction(gb_container); return result; } const char *GBT_read_char_pntr(GBDATA *gb_container, const char *fieldpath){ GBDATA *gbd; const char *result = NULL; GB_push_transaction(gb_container); gbd = GB_search(gb_container,fieldpath,GB_FIND); if (gbd) result = GB_read_char_pntr(gbd); GB_pop_transaction(gb_container); return result; } NOT4PERL long *GBT_read_int(GBDATA *gb_container, const char *fieldpath) { GBDATA *gbd; long *result = NULL; GB_push_transaction(gb_container); gbd = GB_search(gb_container,fieldpath,GB_FIND); if (gbd) { static long result_var; result_var = GB_read_int(gbd); result = &result_var; } GB_pop_transaction(gb_container); return result; } NOT4PERL double *GBT_read_float(GBDATA *gb_container, const char *fieldpath) { GBDATA *gbd; double *result = NULL; GB_push_transaction(gb_container); gbd = GB_search(gb_container,fieldpath,GB_FIND); if (gbd) { static double result_var; result_var = GB_read_float(gbd); result = &result_var; } GB_pop_transaction(gb_container); return result; } /* -------------------------------------------------------------------------------------- */ /* read value from database field or create field with default_value if missing * (same usage as GBT_read_XXX above) */ char *GBT_readOrCreate_string(GBDATA *gb_container, const char *fieldpath, const char *default_value) { GBDATA *gb_string; char *result = NULL; GB_push_transaction(gb_container); gb_string = GB_searchOrCreate_string(gb_container, fieldpath, default_value); if (gb_string) result = GB_read_string(gb_string); GB_pop_transaction(gb_container); return result; } const char *GBT_readOrCreate_char_pntr(GBDATA *gb_container, const char *fieldpath, const char *default_value) { GBDATA *gb_string; const char *result = NULL; GB_push_transaction(gb_container); gb_string = GB_searchOrCreate_string(gb_container, fieldpath, default_value); if (gb_string) result = GB_read_char_pntr(gb_string); GB_pop_transaction(gb_container); return result; } NOT4PERL long *GBT_readOrCreate_int(GBDATA *gb_container, const char *fieldpath, long default_value) { GBDATA *gb_int; long *result = NULL; GB_push_transaction(gb_container); gb_int = GB_searchOrCreate_int(gb_container, fieldpath, default_value); if (gb_int) { static long result_var; result_var = GB_read_int(gb_int); result = &result_var; } GB_pop_transaction(gb_container); return result; } NOT4PERL double *GBT_readOrCreate_float(GBDATA *gb_container, const char *fieldpath, double default_value) { GBDATA *gb_float; double *result = NULL; GB_push_transaction(gb_container); gb_float = GB_searchOrCreate_float(gb_container, fieldpath, default_value); if (gb_float) { static double result_var; result_var = GB_read_float(gb_float); result = &result_var; } GB_pop_transaction(gb_container); return result; } /* ------------------------------------------------------------------- */ /* overwrite existing or create new database field */ /* (field must not exist twice or more - it has to be unique!!) */ GB_ERROR GBT_write_string(GBDATA *gb_container, const char *fieldpath, const char *content) { GB_ERROR error = GB_push_transaction(gb_container); GBDATA *gbd = GB_search(gb_container, fieldpath, GB_STRING); if (!gbd) error = GB_await_error(); else { error = GB_write_string(gbd, content); gb_assert(GB_nextEntry(gbd) == 0); // only one entry should exist (sure you want to use this function?) } return GB_end_transaction(gb_container, error); } GB_ERROR GBT_write_int(GBDATA *gb_container, const char *fieldpath, long content) { GB_ERROR error = GB_push_transaction(gb_container); GBDATA *gbd = GB_search(gb_container, fieldpath, GB_INT); if (!gbd) error = GB_await_error(); else { error = GB_write_int(gbd, content); gb_assert(GB_nextEntry(gbd) == 0); // only one entry should exist (sure you want to use this function?) } return GB_end_transaction(gb_container, error); } GB_ERROR GBT_write_byte(GBDATA *gb_container, const char *fieldpath, unsigned char content) { GB_ERROR error = GB_push_transaction(gb_container); GBDATA *gbd = GB_search(gb_container, fieldpath, GB_BYTE); if (!gbd) error = GB_await_error(); else { error = GB_write_byte(gbd, content); gb_assert(GB_nextEntry(gbd) == 0); // only one entry should exist (sure you want to use this function?) } return GB_end_transaction(gb_container, error); } GB_ERROR GBT_write_float(GBDATA *gb_container, const char *fieldpath, double content) { GB_ERROR error = GB_push_transaction(gb_container); GBDATA *gbd = GB_search(gb_container, fieldpath, GB_FLOAT); if (!gbd) error = GB_await_error(); else { error = GB_write_float(gbd,content); gb_assert(GB_nextEntry(gbd) == 0); // only one entry should exist (sure you want to use this function?) } return GB_end_transaction(gb_container, error); } GBDATA *GB_test_link_follower(GBDATA *gb_main,GBDATA *gb_link,const char *link){ GBDATA *linktarget = GB_search(gb_main,"tmp/link/string",GB_STRING); GBUSE(gb_link); GB_write_string(linktarget,GBS_global_string("Link is '%s'",link)); return GB_get_father(linktarget); } /******************************************************************************************** SAVE & LOAD ********************************************************************************************/ /** Open a database, create an index for species and extended names, disable saving the database in the PT_SERVER directory */ GBDATA *GBT_open(const char *path,const char *opent,const char *disabled_path) { GBDATA *gbd = GB_open(path,opent); GBDATA *species_data; GBDATA *extended_data; GBDATA *gb_tmp; long hash_size; if (!gbd) return gbd; if (!disabled_path) disabled_path = "$(ARBHOME)/lib/pts/*"; GB_disable_path(gbd,disabled_path); GB_begin_transaction(gbd); if (!strchr(path,':')){ species_data = GB_search(gbd, "species_data", GB_FIND); if (species_data){ hash_size = GB_number_of_subentries(species_data); if (hash_size < GBT_SPECIES_INDEX_SIZE) hash_size = GBT_SPECIES_INDEX_SIZE; GB_create_index(species_data,"name",GB_IGNORE_CASE,hash_size); extended_data = GBT_get_SAI_data(gbd); hash_size = GB_number_of_subentries(extended_data); if (hash_size < GBT_SAI_INDEX_SIZE) hash_size = GBT_SAI_INDEX_SIZE; GB_create_index(extended_data,"name",GB_IGNORE_CASE,hash_size); } } gb_tmp = GB_search(gbd,"tmp",GB_CREATE_CONTAINER); GB_set_temporary(gb_tmp); { /* install link followers */ GB_MAIN_TYPE *Main = GB_MAIN(gbd); Main->table_hash = GBS_create_hash(256, GB_MIND_CASE); GB_install_link_follower(gbd,"REF",GB_test_link_follower); } GBT_install_table_link_follower(gbd); GB_commit_transaction(gbd); return gbd; } /* -------------------------------------------------------------------------------- * Remote commands * * Note: These commands may seem to be unused from inside ARB. * They get used, but only indirectly via the macro-function. * * Search for * - BIO::remote_action (use of GBT_remote_action) * - BIO::remote_awar (use of GBT_remote_awar) * - BIO::remote_read_awar (use of GBT_remote_read_awar - seems unused) * - BIO::remote_touch_awar (use of GBT_remote_touch_awar - seems unused) */ #define AWAR_REMOTE_BASE_TPL "tmp/remote/%s/" #define MAX_REMOTE_APPLICATION_NAME_LEN 30 #define MAX_REMOTE_AWAR_STRING_LEN (11+MAX_REMOTE_APPLICATION_NAME_LEN+1+6+1) struct gbt_remote_awars { char awar_action[MAX_REMOTE_AWAR_STRING_LEN]; char awar_result[MAX_REMOTE_AWAR_STRING_LEN]; char awar_awar[MAX_REMOTE_AWAR_STRING_LEN]; char awar_value[MAX_REMOTE_AWAR_STRING_LEN]; }; static void gbt_build_remote_awars(struct gbt_remote_awars *awars, const char *application) { int length; gb_assert(strlen(application) <= MAX_REMOTE_APPLICATION_NAME_LEN); length = sprintf(awars->awar_action, AWAR_REMOTE_BASE_TPL, application); gb_assert(length < (MAX_REMOTE_AWAR_STRING_LEN-6)); // Note : 6 is length of longest name appended below ! strcpy(awars->awar_result, awars->awar_action); strcpy(awars->awar_awar, awars->awar_action); strcpy(awars->awar_value, awars->awar_action); strcpy(awars->awar_action+length, "action"); strcpy(awars->awar_result+length, "result"); strcpy(awars->awar_awar+length, "awar"); strcpy(awars->awar_value+length, "value"); } static GBDATA *gbt_remote_search_awar(GBDATA *gb_main, const char *awar_name) { GBDATA *gb_action; while (1) { GB_begin_transaction(gb_main); gb_action = GB_search(gb_main, awar_name, GB_FIND); GB_commit_transaction(gb_main); if (gb_action) break; GB_usleep(2000); } return gb_action; } static GB_ERROR gbt_wait_for_remote_action(GBDATA *gb_main, GBDATA *gb_action, const char *awar_read) { GB_ERROR error = 0; /* wait to end of action */ while (!error) { GB_usleep(2000); error = GB_begin_transaction(gb_main); if (!error) { char *ac = GB_read_string(gb_action); if (ac[0] == 0) { // action has been cleared from remote side GBDATA *gb_result = GB_search(gb_main, awar_read, GB_STRING); error = GB_read_char_pntr(gb_result); // check for errors } free(ac); } error = GB_end_transaction(gb_main, error); } return error; // may be error or result } GB_ERROR GBT_remote_action(GBDATA *gb_main, const char *application, const char *action_name){ struct gbt_remote_awars awars; GBDATA *gb_action; GB_ERROR error = NULL; gbt_build_remote_awars(&awars, application); gb_action = gbt_remote_search_awar(gb_main, awars.awar_action); error = GB_begin_transaction(gb_main); if (!error) error = GB_write_string(gb_action, action_name); /* write command */ error = GB_end_transaction(gb_main, error); if (!error) error = gbt_wait_for_remote_action(gb_main, gb_action, awars.awar_result); return error; } GB_ERROR GBT_remote_awar(GBDATA *gb_main, const char *application, const char *awar_name, const char *value) { struct gbt_remote_awars awars; GBDATA *gb_awar; GB_ERROR error = NULL; gbt_build_remote_awars(&awars, application); gb_awar = gbt_remote_search_awar(gb_main, awars.awar_awar); error = GB_begin_transaction(gb_main); if (!error) error = GB_write_string(gb_awar, awar_name); if (!error) error = GBT_write_string(gb_main, awars.awar_value, value); error = GB_end_transaction(gb_main, error); if (!error) error = gbt_wait_for_remote_action(gb_main, gb_awar, awars.awar_result); return error; } GB_ERROR GBT_remote_read_awar(GBDATA *gb_main, const char *application, const char *awar_name) { struct gbt_remote_awars awars; GBDATA *gb_awar; GB_ERROR error = NULL; gbt_build_remote_awars(&awars, application); gb_awar = gbt_remote_search_awar(gb_main, awars.awar_awar); error = GB_begin_transaction(gb_main); if (!error) error = GB_write_string(gb_awar, awar_name); if (!error) error = GBT_write_string(gb_main, awars.awar_action, "AWAR_REMOTE_READ"); error = GB_end_transaction(gb_main, error); if (!error) error = gbt_wait_for_remote_action(gb_main, gb_awar, awars.awar_value); return error; } const char *GBT_remote_touch_awar(GBDATA *gb_main, const char *application, const char *awar_name) { struct gbt_remote_awars awars; GBDATA *gb_awar; GB_ERROR error = NULL; gbt_build_remote_awars(&awars, application); gb_awar = gbt_remote_search_awar(gb_main, awars.awar_awar); error = GB_begin_transaction(gb_main); if (!error) error = GB_write_string(gb_awar, awar_name); if (!error) error = GBT_write_string(gb_main, awars.awar_action, "AWAR_REMOTE_TOUCH"); error = GB_end_transaction(gb_main, error); if (!error) error = gbt_wait_for_remote_action(gb_main, gb_awar, awars.awar_result); return error; } /* --------------------------- */ /* self-notification */ /* --------------------------- */ /* provides a mechanism to notify ARB after some external tool finishes */ #define ARB_NOTIFICATIONS "tmp/notify" /* DB structure for notifications : * * ARB_NOTIFICATIONS/counter GB_INT counts used ids * ARB_NOTIFICATIONS/notify/id GB_INT id of notification * ARB_NOTIFICATIONS/notify/message GB_STRING message of notification (set by callback) */ typedef void (*notify_cb_type)(const char *message, void *client_data); struct NCB { notify_cb_type cb; void *client_data; }; static void notify_cb(GBDATA *gb_message, int *cb_info, GB_CB_TYPE cb_type) { GB_remove_callback(gb_message, GB_CB_CHANGED|GB_CB_DELETE, notify_cb, cb_info); // @@@ cbproblematic int cb_done = 0; struct NCB *pending = (struct NCB*)cb_info; if (cb_type == GB_CB_CHANGED) { GB_ERROR error = 0; const char *message = GB_read_char_pntr(gb_message); if (!message) error = GB_await_error(); else { pending->cb(message, pending->client_data); cb_done = 1; } if (!cb_done) { gb_assert(error); GB_warningf("Notification failed (Reason: %s)\n", error); gb_assert(0); } } else { /* called from GB_remove_last_notification */ gb_assert(cb_type == GB_CB_DELETE); } free(pending); } static int allocateNotificationID(GBDATA *gb_main, int *cb_info) { /* returns a unique notification ID * or 0 (use GB_get_error() in this case) */ int id = 0; GB_ERROR error = GB_push_transaction(gb_main); if (!error) { GBDATA *gb_notify = GB_search(gb_main, ARB_NOTIFICATIONS, GB_CREATE_CONTAINER); if (gb_notify) { GBDATA *gb_counter = GB_searchOrCreate_int(gb_notify, "counter", 0); if (gb_counter) { int newid = GB_read_int(gb_counter) + 1; /* increment counter */ error = GB_write_int(gb_counter, newid); if (!error) { /* change transaction (to never use id twice!) */ error = GB_pop_transaction(gb_main); if (!error) error = GB_push_transaction(gb_main); if (!error) { GBDATA *gb_notification = GB_create_container(gb_notify, "notify"); if (gb_notification) { error = GBT_write_int(gb_notification, "id", newid); if (!error) { GBDATA *gb_message = GB_searchOrCreate_string(gb_notification, "message", ""); if (gb_message) { error = GB_add_callback(gb_message, GB_CB_CHANGED|GB_CB_DELETE, notify_cb, cb_info); if (!error) { id = newid; /* success */ } } } } } } } } } if (!id) { if (!error) error = GB_await_error(); error = GBS_global_string("Failed to allocate notification ID (%s)", error); } error = GB_end_transaction(gb_main, error); if (error) GB_export_error(error); return id; } char *GB_generate_notification(GBDATA *gb_main, void (*cb)(const char *message, void *client_data), const char *message, void *client_data) { /* generates a call to 'arb_notify', meant to be inserted into some external system call. * When that call is executed, the callback instantiated here will be called. * * Tip : To return variable results from the shell script, use the name of an environment * variable in 'message' (e.g. "$RESULT") */ int id; char *arb_notify_call = 0; struct NCB *pending = malloc(sizeof(*pending)); pending->cb = cb; pending->client_data = client_data; id = allocateNotificationID(gb_main, (int*)pending); if (id) { arb_notify_call = GBS_global_string_copy("arb_notify %i \"%s\"", id, message); } else { free(pending); } return arb_notify_call; } GB_ERROR GB_remove_last_notification(GBDATA *gb_main) { /* aborts the last notification */ GB_ERROR error = GB_push_transaction(gb_main); if (!error) { GBDATA *gb_notify = GB_search(gb_main, ARB_NOTIFICATIONS, GB_CREATE_CONTAINER); if (gb_notify) { GBDATA *gb_counter = GB_entry(gb_notify, "counter"); if (gb_counter) { int id = GB_read_int(gb_counter); GBDATA *gb_id = GB_find_int(gb_notify, "id", id, down_2_level); if (!gb_id) { error = GBS_global_string("No notification for ID %i", id); gb_assert(0); // GB_generate_notification() has not been called for 'id'! } else { GBDATA *gb_message = GB_brother(gb_id, "message"); if (!gb_message) { error = "Missing 'message' entry"; } else { error = GB_delete(gb_message); /* calls notify_cb */ } } } else { error = "No notification generated yet"; } } } error = GB_end_transaction(gb_main, error); return error; } GB_ERROR GB_notify(GBDATA *gb_main, int id, const char *message) { /* called via 'arb_notify' * 'id' has to be generated by GB_generate_notification() * 'message' is passed to notification callback belonging to id */ GB_ERROR error = 0; GBDATA *gb_notify = GB_search(gb_main, ARB_NOTIFICATIONS, GB_FIND); if (!gb_notify) { error = "Missing notification data"; gb_assert(0); // GB_generate_notification() has not been called! } else { GBDATA *gb_id = GB_find_int(gb_notify, "id", id, down_2_level); if (!gb_id) { error = GBS_global_string("No notification for ID %i", id); } else { GBDATA *gb_message = GB_brother(gb_id, "message"); if (!gb_message) { error = "Missing 'message' entry"; } else { /* callback the instantiating DB client */ error = GB_write_string(gb_message, message); } } } return error; } ./arbsrc_9167/ARBDB/ad_t_prot.h0000644012664100000130000003164711440743000016101 0ustar arb_buildcoders/* * ARB toolkit. * * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef AD_T_PROT_H #define AD_T_PROT_H #ifndef P_ # error P_ is not defined #endif /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif #ifdef __cplusplus extern "C" { #endif /* adtools.c */ GBDATA *GBT_find_or_create P_((GBDATA *Main, const char *key, long delete_level)); char *GBT_get_default_helix P_((GBDATA *gb_main)); char *GBT_get_default_helix_nr P_((GBDATA *gb_main)); char *GBT_get_default_ref P_((GBDATA *gb_main)); GB_ERROR GBT_check_arb_file P_((const char *name)); char **GBT_scan_db P_((GBDATA *gbd, const char *datapath)); void GBT_install_message_handler P_((GBDATA *gb_main)); void GBT_message P_((GBDATA *gb_main, const char *msg)); char **GBT_split_string P_((const char *namelist, char separator, int *countPtr)); char *GBT_join_names P_((const char *const *names, char separator)); void GBT_free_names P_((char **names)); char *GBT_read_string P_((GBDATA *gb_container, const char *fieldpath)); char *GBT_read_as_string P_((GBDATA *gb_container, const char *fieldpath)); const char *GBT_read_char_pntr P_((GBDATA *gb_container, const char *fieldpath)); NOT4PERL long *GBT_read_int P_((GBDATA *gb_container, const char *fieldpath)); NOT4PERL double *GBT_read_float P_((GBDATA *gb_container, const char *fieldpath)); char *GBT_readOrCreate_string P_((GBDATA *gb_container, const char *fieldpath, const char *default_value)); const char *GBT_readOrCreate_char_pntr P_((GBDATA *gb_container, const char *fieldpath, const char *default_value)); NOT4PERL long *GBT_readOrCreate_int P_((GBDATA *gb_container, const char *fieldpath, long default_value)); NOT4PERL double *GBT_readOrCreate_float P_((GBDATA *gb_container, const char *fieldpath, double default_value)); GB_ERROR GBT_write_string P_((GBDATA *gb_container, const char *fieldpath, const char *content)); GB_ERROR GBT_write_int P_((GBDATA *gb_container, const char *fieldpath, long content)); GB_ERROR GBT_write_byte P_((GBDATA *gb_container, const char *fieldpath, unsigned char content)); GB_ERROR GBT_write_float P_((GBDATA *gb_container, const char *fieldpath, double content)); GBDATA *GB_test_link_follower P_((GBDATA *gb_main, GBDATA *gb_link, const char *link)); GBDATA *GBT_open P_((const char *path, const char *opent, const char *disabled_path)); GB_ERROR GBT_remote_action P_((GBDATA *gb_main, const char *application, const char *action_name)); GB_ERROR GBT_remote_awar P_((GBDATA *gb_main, const char *application, const char *awar_name, const char *value)); GB_ERROR GBT_remote_read_awar P_((GBDATA *gb_main, const char *application, const char *awar_name)); const char *GBT_remote_touch_awar P_((GBDATA *gb_main, const char *application, const char *awar_name)); char *GB_generate_notification P_((GBDATA *gb_main, void (*cb )(const char *message, void *client_data ), const char *message, void *client_data)); GB_ERROR GB_remove_last_notification P_((GBDATA *gb_main)); GB_ERROR GB_notify P_((GBDATA *gb_main, int id, const char *message)); /* adseqcompr.c */ GB_ERROR GBT_compress_sequence_tree2 P_((GBDATA *gb_main, const char *tree_name, const char *ali_name)); void GBT_compression_test P_((void *dummy, GBDATA *gb_main)); /* adtables.c */ GB_ERROR GBT_install_table_link_follower P_((GBDATA *gb_main)); GBDATA *GBT_open_table P_((GBDATA *gb_table_root, const char *table_name, GB_BOOL read_only)); GBDATA *GBT_first_table P_((GBDATA *gb_main)); GBDATA *GBT_next_table P_((GBDATA *gb_table)); GBDATA *GBT_first_table_entry P_((GBDATA *gb_table)); GBDATA *GBT_first_marked_table_entry P_((GBDATA *gb_table)); GBDATA *GBT_next_table_entry P_((GBDATA *gb_table_entry)); GBDATA *GBT_next_marked_table_entry P_((GBDATA *gb_table_entry)); GBDATA *GBT_find_table_entry P_((GBDATA *gb_table, const char *id)); GBDATA *GBT_open_table_entry P_((GBDATA *gb_table, const char *id)); GBDATA *GBT_first_table_field P_((GBDATA *gb_table)); GBDATA *GBT_first_marked_table_field P_((GBDATA *gb_table)); GBDATA *GBT_next_table_field P_((GBDATA *gb_table_field)); GBDATA *GBT_next_marked_table_field P_((GBDATA *gb_table_field)); GBDATA *GBT_find_table_field P_((GBDATA *gb_table, const char *id)); GB_TYPES GBT_get_type_of_table_entry_field P_((GBDATA *gb_table, const char *fieldname)); GB_ERROR GBT_savely_write_table_entry_field P_((GBDATA *gb_table, GBDATA *gb_entry, const char *fieldname, const char *value_in_ascii_format)); GBDATA *GBT_open_table_field P_((GBDATA *gb_table, const char *fieldname, GB_TYPES type_of_field)); /* adRevCompl.c */ char GBT_complementNucleotide P_((char c, char T_or_U)); char *GBT_reverseNucSequence P_((const char *s, int len)); char *GBT_complementNucSequence P_((const char *s, int len, char T_or_U)); GB_ERROR GBT_determine_T_or_U P_((GB_alignment_type alignment_type, char *T_or_U, const char *supposed_target)); void GBT_reverseComplementNucSequence P_((char *seq, long length, char T_or_U)); /* adChangeKey.c */ GBDATA *GBT_get_changekey P_((GBDATA *gb_main, const char *key, const char *change_key_path)); GB_TYPES GBT_get_type_of_changekey P_((GBDATA *gb_main, const char *field_name, const char *change_key_path)); GB_ERROR GBT_add_new_changekey_to_keypath P_((GBDATA *gb_main, const char *name, int type, const char *keypath)); GB_ERROR GBT_add_new_changekey P_((GBDATA *gb_main, const char *name, int type)); GB_ERROR GBT_add_new_gene_changekey P_((GBDATA *gb_main, const char *name, int type)); GB_ERROR GBT_add_new_experiment_changekey P_((GBDATA *gb_main, const char *name, int type)); GB_ERROR GBT_convert_changekey P_((GBDATA *gb_main, const char *name, int target_type)); /* adali.c */ GB_ERROR GBT_check_data P_((GBDATA *Main, const char *alignment_name)); char **GBT_get_alignment_names P_((GBDATA *gbd)); GB_ERROR GBT_check_alignment_name P_((const char *alignment_name)); GBDATA *GBT_create_alignment P_((GBDATA *gbd, const char *name, long len, long aligned, long security, const char *type)); NOT4PERL GB_ERROR GBT_check_alignment P_((GBDATA *gb_main, GBDATA *preset_alignment, GB_HASH *species_name_hash)); GB_ERROR GBT_rename_alignment P_((GBDATA *gbMain, const char *source, const char *dest, int copy, int dele)); GBDATA *GBT_add_data P_((GBDATA *species, const char *ali_name, const char *key, GB_TYPES type)) __ATTR__DEPRECATED; NOT4PERL GBDATA *GBT_create_sequence_data P_((GBDATA *species, const char *ali_name, const char *key, GB_TYPES type, int security_write)); GB_ERROR GBT_write_sequence P_((GBDATA *gb_data, const char *ali_name, long ali_len, const char *sequence)); GBDATA *GBT_gen_accession_number P_((GBDATA *gb_species, const char *ali_name)); int GBT_is_partial P_((GBDATA *gb_species, int default_value, int define_if_undef)); GBDATA *GBT_read_sequence P_((GBDATA *gb_species, const char *aliname)); char *GBT_get_default_alignment P_((GBDATA *gb_main)); GB_ERROR GBT_set_default_alignment P_((GBDATA *gb_main, const char *alignment_name)); GBDATA *GBT_get_alignment P_((GBDATA *gb_main, const char *aliname)); long GBT_get_alignment_len P_((GBDATA *gb_main, const char *aliname)); GB_ERROR GBT_set_alignment_len P_((GBDATA *gb_main, const char *aliname, long new_len)); int GBT_get_alignment_aligned P_((GBDATA *gb_main, const char *aliname)); char *GBT_get_alignment_type_string P_((GBDATA *gb_main, const char *aliname)); GB_alignment_type GBT_get_alignment_type P_((GBDATA *gb_main, const char *aliname)); GB_BOOL GBT_is_alignment_protein P_((GBDATA *gb_main, const char *alignment_name)); NOT4PERL char *GBT_read_gene_sequence_and_length P_((GBDATA *gb_gene, GB_BOOL use_revComplement, char partSeparator, size_t *gene_length)); char *GBT_read_gene_sequence P_((GBDATA *gb_gene, GB_BOOL use_revComplement, char partSeparator)); /* adcolumns.c */ GB_ERROR GBT_format_alignment P_((GBDATA *Main, const char *alignment_name)); GB_ERROR GBT_insert_character P_((GBDATA *Main, char *alignment_name, long pos, long count, char *char_delete)); /* adtree.c */ GBT_TREE *GBT_remove_leafs P_((GBT_TREE *tree, GBT_TREE_REMOVE_TYPE mode, GB_HASH *species_hash, int *removed, int *groups_removed)); void GBT_delete_tree P_((GBT_TREE *tree)); GB_ERROR GBT_write_group_name P_((GBDATA *gb_group_name, const char *new_group_name)); GB_ERROR GBT_write_tree P_((GBDATA *gb_main, GBDATA *gb_tree, const char *tree_name, GBT_TREE *tree)); GB_ERROR GBT_write_plain_tree P_((GBDATA *gb_main, GBDATA *gb_tree, char *tree_name, GBT_TREE *tree)); GB_ERROR GBT_write_tree_rem P_((GBDATA *gb_main, const char *tree_name, const char *remark)); GBT_TREE *GBT_read_tree_and_size P_((GBDATA *gb_main, const char *tree_name, long structure_size, int *tree_size)); GBT_TREE *GBT_read_tree P_((GBDATA *gb_main, const char *tree_name, long structure_size)); GBT_TREE *GBT_read_plain_tree P_((GBDATA *gb_main, GBDATA *gb_ctree, long structure_size, GB_ERROR *error)); long GBT_count_nodes P_((GBT_TREE *tree)); GB_ERROR GBT_link_tree_using_species_hash P_((GBT_TREE *tree, GB_BOOL show_status, GB_HASH *species_hash, int *zombies, int *duplicates)); GB_ERROR GBT_link_tree P_((GBT_TREE *tree, GBDATA *gb_main, GB_BOOL show_status, int *zombies, int *duplicates)); void GBT_unlink_tree P_((GBT_TREE *tree)); GBDATA *GBT_get_tree P_((GBDATA *gb_main, const char *tree_name)); long GBT_size_of_tree P_((GBDATA *gb_main, const char *tree_name)); char *GBT_find_largest_tree P_((GBDATA *gb_main)); char *GBT_find_latest_tree P_((GBDATA *gb_main)); const char *GBT_tree_info_string P_((GBDATA *gb_main, const char *tree_name, int maxTreeNameLen)); GB_ERROR GBT_check_tree_name P_((const char *tree_name)); char **GBT_get_tree_names_and_count P_((GBDATA *Main, int *countPtr)); char **GBT_get_tree_names P_((GBDATA *Main)); char *GBT_get_next_tree_name P_((GBDATA *gb_main, const char *tree_name)); GB_CSTR *GBT_get_species_names_of_tree P_((GBT_TREE *tree)); char *GBT_existing_tree P_((GBDATA *gb_main, const char *tree_name)); /* adname.c */ GB_ERROR GBT_begin_rename_session P_((GBDATA *gb_main, int all_flag)); GB_ERROR GBT_rename_species P_((const char *oldname, const char *newname, GB_BOOL ignore_protection)); GB_ERROR GBT_abort_rename_session P_((void)); GB_ERROR GBT_commit_rename_session P_((int (*show_status )(double gauge ), int (*show_status_text )(const char *))); /* aditem.c */ GBDATA *GBT_find_or_create_item_rel_item_data P_((GBDATA *gb_item_data, const char *itemname, const char *id_field, const char *id, GB_BOOL markCreated)); GBDATA *GBT_find_or_create_species_rel_species_data P_((GBDATA *gb_species_data, const char *name)); GBDATA *GBT_find_or_create_species P_((GBDATA *gb_main, const char *name)); GBDATA *GBT_find_or_create_SAI P_((GBDATA *gb_main, const char *name)); GBDATA *GBT_find_item_rel_item_data P_((GBDATA *gb_item_data, const char *id_field, const char *id_value)); GBDATA *GBT_expect_item_rel_item_data P_((GBDATA *gb_item_data, const char *id_field, const char *id_value)); GBDATA *GBT_get_species_data P_((GBDATA *gb_main)); GBDATA *GBT_first_marked_species_rel_species_data P_((GBDATA *gb_species_data)); GBDATA *GBT_first_marked_species P_((GBDATA *gb_main)); GBDATA *GBT_next_marked_species P_((GBDATA *gb_species)); GBDATA *GBT_first_species_rel_species_data P_((GBDATA *gb_species_data)); GBDATA *GBT_first_species P_((GBDATA *gb_main)); GBDATA *GBT_next_species P_((GBDATA *gb_species)); GBDATA *GBT_find_species_rel_species_data P_((GBDATA *gb_species_data, const char *name)); GBDATA *GBT_find_species P_((GBDATA *gb_main, const char *name)); GBDATA *GBT_expect_species P_((GBDATA *gb_main, const char *name)); GBDATA *GBT_get_SAI_data P_((GBDATA *gb_main)); GBDATA *GBT_first_marked_SAI_rel_SAI_data P_((GBDATA *gb_sai_data)); GBDATA *GBT_next_marked_SAI P_((GBDATA *gb_sai)); GBDATA *GBT_first_SAI_rel_SAI_data P_((GBDATA *gb_sai_data)); GBDATA *GBT_first_SAI P_((GBDATA *gb_main)); GBDATA *GBT_next_SAI P_((GBDATA *gb_sai)); GBDATA *GBT_find_SAI_rel_SAI_data P_((GBDATA *gb_sai_data, const char *name)); GBDATA *GBT_find_SAI P_((GBDATA *gb_main, const char *name)); GBDATA *GBT_expect_SAI P_((GBDATA *gb_main, const char *name)); long GBT_get_item_count P_((GBDATA *gb_parent_of_container, const char *item_container_name)); long GBT_get_species_count P_((GBDATA *gb_main)); long GBT_get_SAI_count P_((GBDATA *gb_main)); char *GBT_create_unique_item_identifier P_((GBDATA *gb_item_container, const char *id_field, const char *default_id)); char *GBT_create_unique_species_name P_((GBDATA *gb_main, const char *default_name)); void GBT_mark_all P_((GBDATA *gb_main, int flag)); void GBT_mark_all_that P_((GBDATA *gb_main, int flag, int (*condition )(GBDATA *, void *), void *cd)); long GBT_count_marked_species P_((GBDATA *gb_main)); char *GBT_store_marked_species P_((GBDATA *gb_main, int unmark_all)); NOT4PERL GB_ERROR GBT_with_stored_species P_((GBDATA *gb_main, const char *stored, species_callback doit, int *clientdata)); GB_ERROR GBT_restore_marked_species P_((GBDATA *gb_main, const char *stored_marked)); GB_CSTR GBT_read_name P_((GBDATA *gb_item)); const char *GBT_get_name P_((GBDATA *gb_item)); GBDATA **GBT_gen_species_array P_((GBDATA *gb_main, long *pspeccnt)); #ifdef __cplusplus } #endif #else #error ad_t_prot.h included twice #endif /* AD_T_PROT_H */ ./arbsrc_9167/ARBDB/adtree.c0000644012664100000130000007507011440743000015363 0ustar arb_buildcoders/* ============================================================ */ /* */ /* File : adtree.c */ /* Purpose : tree functions */ /* */ /* Institute of Microbiology (Technical University Munich) */ /* www.arb-home.de */ /* */ /* ============================================================ */ #include #include #include #include #define GBT_PUT_DATA 1 #define GBT_GET_SIZE 0 /* ---------------------- */ /* remove leafs */ static GBT_TREE *fixDeletedSon(GBT_TREE *tree) { // fix tree after one son has been deleted // (Note: this function only works correct for trees with minimum element size!) GBT_TREE *delNode = tree; if (delNode->leftson) { ad_assert(!delNode->rightson); tree = delNode->leftson; delNode->leftson = 0; } else { ad_assert(!delNode->leftson); ad_assert(delNode->rightson); tree = delNode->rightson; delNode->rightson = 0; } // now tree is the new tree tree->father = delNode->father; if (delNode->remark_branch && !tree->remark_branch) { // rescue remarks if possible tree->remark_branch = delNode->remark_branch; delNode->remark_branch = 0; } if (delNode->gb_node && !tree->gb_node) { // rescue group if possible tree->gb_node = delNode->gb_node; delNode->gb_node = 0; } delNode->is_leaf = GB_TRUE; // don't try recursive delete if (delNode->father) { // not root GBT_delete_tree(delNode); } else { // root node if (delNode->tree_is_one_piece_of_memory) { // don't change root -> copy instead memcpy(delNode, tree, sizeof(GBT_TREE)); tree = delNode; } else { GBT_delete_tree(delNode); } } return tree; } GBT_TREE *GBT_remove_leafs(GBT_TREE *tree, GBT_TREE_REMOVE_TYPE mode, GB_HASH *species_hash, int *removed, int *groups_removed) { // Given 'tree' can either // - be linked (in this case 'species_hash' shall be NULL) // - be unlinked (in this case 'species_hash' has to be provided) // // If 'removed' and/or 'groups_removed' is given, it's used to count the removed leafs/groups. if (tree->is_leaf) { if (tree->name) { GB_BOOL deleteSelf = GB_FALSE; GBDATA *gb_node; if (species_hash) { gb_node = (GBDATA*)GBS_read_hash(species_hash, tree->name); ad_assert(tree->gb_node == 0); // don't call linked tree with 'species_hash'! } else gb_node = tree->gb_node; if (gb_node) { if (mode & (GBT_REMOVE_MARKED|GBT_REMOVE_NOT_MARKED)) { long flag = GB_read_flag(gb_node); deleteSelf = (flag && (mode&GBT_REMOVE_MARKED)) || (!flag && (mode&GBT_REMOVE_NOT_MARKED)); } } else { // zombie if (mode & GBT_REMOVE_DELETED) deleteSelf = GB_TRUE; } if (deleteSelf) { GBT_delete_tree(tree); if (removed) (*removed)++; tree = 0; } } } else { tree->leftson = GBT_remove_leafs(tree->leftson, mode, species_hash, removed, groups_removed); tree->rightson = GBT_remove_leafs(tree->rightson, mode, species_hash, removed, groups_removed); if (tree->leftson) { if (!tree->rightson) { // right son deleted tree = fixDeletedSon(tree); } // otherwise no son deleted } else if (tree->rightson) { // left son deleted tree = fixDeletedSon(tree); } else { // everything deleted -> delete self if (tree->name && groups_removed) (*groups_removed)++; tree->is_leaf = GB_TRUE; GBT_delete_tree(tree); tree = 0; } } return tree; } /* ------------------- */ /* free tree */ void GBT_delete_tree(GBT_TREE *tree) /* frees a tree only in memory (not in the database) to delete the tree in Database just call GB_delete((GBDATA *)gb_tree); */ { free(tree->name); free(tree->remark_branch); if (!tree->is_leaf) { GBT_delete_tree(tree->leftson); GBT_delete_tree(tree->rightson); } if (!tree->tree_is_one_piece_of_memory || !tree->father) { free(tree); } } /******************************************************************************************** some tree write functions ********************************************************************************************/ GB_ERROR GBT_write_group_name(GBDATA *gb_group_name, const char *new_group_name) { GB_ERROR error = 0; size_t len = strlen(new_group_name); if (len >= GB_GROUP_NAME_MAX) { error = GBS_global_string("Group name '%s' too long (max %i characters)", new_group_name, GB_GROUP_NAME_MAX); } else { error = GB_write_string(gb_group_name, new_group_name); } return error; } static GB_ERROR gbt_write_tree_nodes(GBDATA *gb_tree, GBT_TREE *node, long *startid) { // increments '*startid' for each inner node (not for leafs) GB_ERROR error = NULL; if (!node->is_leaf) { GB_BOOL node_is_used = GB_FALSE; if (node->name && node->name[0]) { if (!node->gb_node) { node->gb_node = GB_create_container(gb_tree, "node"); if (!node->gb_node) error = GB_await_error(); } if (!error) { GBDATA *gb_name = GB_search(node->gb_node,"group_name",GB_STRING); if (!gb_name) error = GB_await_error(); else error = GBT_write_group_name(gb_name, node->name); node_is_used = GB_TRUE; // wrote groupname -> node is used } } if (node->gb_node && !error) { if (!node_is_used) { GBDATA *gb_nonid = GB_child(node->gb_node); while (gb_nonid && strcmp("id", GB_read_key_pntr(gb_nonid)) == 0) { gb_nonid = GB_nextChild(gb_nonid); } if (gb_nonid) node_is_used = GB_TRUE; // found child that is not "id" -> node is used } if (node_is_used) { // set id for used nodes error = GBT_write_int(node->gb_node, "id", *startid); if (!error) error = GB_write_usr_private(node->gb_node,0); } else { // delete unused nodes error = GB_delete(node->gb_node); if (!error) node->gb_node = 0; } } (*startid)++; if (!error) error = gbt_write_tree_nodes(gb_tree, node->leftson, startid); if (!error) error = gbt_write_tree_nodes(gb_tree, node->rightson, startid); } return error; } #if 0 static long gbt_write_tree_nodes_old(GBDATA *gb_tree, GBT_TREE *node, long startid) { long me; GB_ERROR error; const char *key; GBDATA *gb_id,*gb_name,*gb_any; if (node->is_leaf) return 0; me = startid; if (node->name && (strlen(node->name)) ) { if (!node->gb_node) { node->gb_node = GB_create_container(gb_tree,"node"); } gb_name = GB_search(node->gb_node,"group_name",GB_STRING); error = GBT_write_group_name(gb_name, node->name); if (error) return -1; } if (node->gb_node) { /* delete not used nodes else write id */ gb_any = GB_child(node->gb_node); if (gb_any) { key = GB_read_key_pntr(gb_any); if (strcmp(key,"id") == 0) { gb_any = GB_nextChild(gb_any); } } if (gb_any){ gb_id = GB_search(node->gb_node,"id",GB_INT); #if defined(DEBUG) && defined(DEVEL_RALF) { int old = GB_read_int(gb_id); if (old != me) { printf("id changed in gbt_write_tree_nodes(): old=%i new=%li (tree-node=%p; gb_node=%p)\n", old, me, node, node->gb_node); } } #endif /* DEBUG */ error = GB_write_int(gb_id,me); GB_write_usr_private(node->gb_node,0); if (error) return -1; } else { #if defined(DEBUG) && defined(DEVEL_RALF) { GBDATA *gb_id2 = GB_entry(node->gb_node, "id"); int id = 0; if (gb_id2) id = GB_read_int(gb_id2); printf("deleting node w/o info: tree-node=%p; gb_node=%p prev.id=%i\n", node, node->gb_node, id); } #endif /* DEBUG */ GB_delete(node->gb_node); node->gb_node = 0; } } startid++; if (!node->leftson->is_leaf) { startid = gbt_write_tree_nodes(gb_tree,node->leftson,startid); if (startid<0) return startid; } if (!node->rightson->is_leaf) { startid = gbt_write_tree_nodes(gb_tree,node->rightson,startid); if (startid<0) return startid; } return startid; } #endif static char *gbt_write_tree_rek_new(GBT_TREE *node, char *dest, long mode) { char buffer[40]; /* just real numbers */ char *c1; if ( (c1 = node->remark_branch) ) { int c; if (mode == GBT_PUT_DATA) { *(dest++) = 'R'; while ( (c= *(c1++)) ) { if (c == 1) continue; *(dest++) = c; } *(dest++) = 1; }else{ dest += strlen(c1) + 2; } } if (node->is_leaf){ if (mode == GBT_PUT_DATA) { *(dest++) = 'L'; if (node->name) strcpy(dest,node->name); while ( (c1= (char *)strchr(dest,1)) ) *c1 = 2; dest += strlen(dest); *(dest++) = 1; return dest; }else{ if (node->name) return dest+1+strlen(node->name)+1; /* N name term */ return dest+1+1; } }else{ sprintf(buffer,"%g,%g;",node->leftlen,node->rightlen); if (mode == GBT_PUT_DATA) { *(dest++) = 'N'; strcpy(dest,buffer); dest += strlen(buffer); }else{ dest += strlen(buffer)+1; } dest = gbt_write_tree_rek_new(node->leftson, dest, mode); dest = gbt_write_tree_rek_new(node->rightson, dest, mode); return dest; } } static GB_ERROR gbt_write_tree(GBDATA *gb_main, GBDATA *gb_tree, const char *tree_name, GBT_TREE *tree, int plain_only) { /* writes a tree to the database. If tree is loaded by function GBT_read_tree(..) then 'tree_name' should be zero !!!!!! else 'gb_tree' should be set to zero. to copy a tree call GB_copy((GBDATA *)dest,(GBDATA *)source); or set recursively all tree->gb_node variables to zero (that unlinks the tree), if 'plain_only' == 1 only the plain tree string is written */ GB_ERROR error = 0; gb_assert(!plain_only || (tree_name == 0)); // if plain_only == 1 -> set tree_name to 0 if (tree) { if (tree_name) { if (gb_tree) error = GBS_global_string("can't change name of existing tree (to '%s')", tree_name); else { error = GBT_check_tree_name(tree_name); if (!error) { GBDATA *gb_tree_data = GB_search(gb_main, "tree_data", GB_CREATE_CONTAINER); gb_tree = GB_search(gb_tree_data, tree_name, GB_CREATE_CONTAINER); if (!gb_tree) error = GB_await_error(); } } } else { if (!gb_tree) error = "No tree name given"; } ad_assert(gb_tree || error); if (!error) { if (!plain_only) { // mark all old style tree data for deletion GBDATA *gb_node; for (gb_node = GB_entry(gb_tree,"node"); gb_node; gb_node = GB_nextEntry(gb_node)) { GB_write_usr_private(gb_node,1); } } // build tree-string and save to DB { char *t_size = gbt_write_tree_rek_new(tree, 0, GBT_GET_SIZE); // calc size of tree-string char *ctree = (char *)GB_calloc(sizeof(char),(size_t)(t_size+1)); // allocate buffer for tree-string t_size = gbt_write_tree_rek_new(tree, ctree, GBT_PUT_DATA); // write into buffer *(t_size) = 0; error = GB_set_compression(gb_main,0); // no more compressions if (!error) { error = GBT_write_string(gb_tree, "tree", ctree); GB_ERROR err = GB_set_compression(gb_main,-1); // again allow all types of compression if (!error) error = err; } free(ctree); } } if (!plain_only && !error) { // save nodes to DB long size = 0; error = gbt_write_tree_nodes(gb_tree, tree, &size); // reports number of nodes in 'size' if (!error) error = GBT_write_int(gb_tree, "nnodes", size); if (!error) { GBDATA *gb_node; GBDATA *gb_node_next; for (gb_node = GB_entry(gb_tree,"node"); // delete all ghost nodes gb_node && !error; gb_node = gb_node_next) { GBDATA *gbd = GB_entry(gb_node,"id"); gb_node_next = GB_nextEntry(gb_node); if (!gbd || GB_read_usr_private(gb_node)) error = GB_delete(gb_node); } } } } return error; } GB_ERROR GBT_write_tree(GBDATA *gb_main, GBDATA *gb_tree, const char *tree_name, GBT_TREE *tree) { return gbt_write_tree(gb_main, gb_tree, tree_name, tree, 0); } GB_ERROR GBT_write_plain_tree(GBDATA *gb_main, GBDATA *gb_tree, char *tree_name, GBT_TREE *tree) { return gbt_write_tree(gb_main, gb_tree, tree_name, tree, 1); } GB_ERROR GBT_write_tree_rem(GBDATA *gb_main,const char *tree_name, const char *remark) { return GBT_write_string(GBT_get_tree(gb_main, tree_name), "remark", remark); } /******************************************************************************************** some tree read functions ********************************************************************************************/ GBT_TREE *gbt_read_tree_rek(char **data, long *startid, GBDATA **gb_tree_nodes, long structure_size, int size_of_tree, GB_ERROR *error) { GBT_TREE *node; GBDATA *gb_group_name; char c; char *p1; static char *membase; gb_assert(error); if (*error) return NULL; if (structure_size>0){ node = (GBT_TREE *)GB_calloc(1,(size_t)structure_size); } else { if (!startid[0]){ membase =(char *)GB_calloc(size_of_tree+1,(size_t)(-2*structure_size)); /* because of inner nodes */ } node = (GBT_TREE *)membase; node->tree_is_one_piece_of_memory = 1; membase -= structure_size; } c = *((*data)++); if (c=='R') { p1 = strchr(*data,1); *(p1++) = 0; node->remark_branch = strdup(*data); c = *(p1++); *data = p1; } if (c=='N') { p1 = (char *)strchr(*data,','); *(p1++) = 0; node->leftlen = GB_atof(*data); *data = p1; p1 = (char *)strchr(*data,';'); *(p1++) = 0; node->rightlen = GB_atof(*data); *data = p1; if ((*startid < size_of_tree) && (node->gb_node = gb_tree_nodes[*startid])){ gb_group_name = GB_entry(node->gb_node,"group_name"); if (gb_group_name) { node->name = GB_read_string(gb_group_name); } } (*startid)++; node->leftson = gbt_read_tree_rek(data,startid,gb_tree_nodes,structure_size,size_of_tree, error); if (!node->leftson) { if (!node->tree_is_one_piece_of_memory) free((char *)node); return NULL; } node->rightson = gbt_read_tree_rek(data,startid,gb_tree_nodes,structure_size,size_of_tree, error); if (!node->rightson) { if (!node->tree_is_one_piece_of_memory) free((char *)node); return NULL; } node->leftson->father = node; node->rightson->father = node; } else if (c=='L') { node->is_leaf = GB_TRUE; p1 = (char *)strchr(*data,1); gb_assert(p1); gb_assert(p1[0] == 1); *p1 = 0; node->name = strdup(*data); *data = p1+1; } else { if (!c) { *error = "Unexpected end of tree definition."; } else { *error = GBS_global_string("Can't interpret tree definition (expected 'N' or 'L' - not '%c')", c); } /* GB_internal_error("Error reading tree 362436"); */ return NULL; } return node; } /** Loads a tree from the database into any user defined structure. make sure that the first eight members members of your structure looks exactly like GBT_TREE, You should send the size of your structure ( minimum sizeof GBT_TREE) to this function. If size < 0 then the tree is allocated as just one big piece of memory, which can be freed by free((char *)root_of_tree) + deleting names or by GBT_delete_tree. tree_name is the name of the tree in the db return NULL if any error occur */ static GBT_TREE *read_tree_and_size_internal(GBDATA *gb_tree, GBDATA *gb_ctree, int structure_size, int size, GB_ERROR *error) { GBDATA **gb_tree_nodes; GBT_TREE *node = 0; gb_tree_nodes = (GBDATA **)GB_calloc(sizeof(GBDATA *),(size_t)size); if (gb_tree) { GBDATA *gb_node; for (gb_node = GB_entry(gb_tree,"node"); gb_node && !*error; gb_node = GB_nextEntry(gb_node)) { long i; GBDATA *gbd = GB_entry(gb_node,"id"); if (!gbd) continue; /*{ GB_export_error("ERROR while reading tree '%s' 4634",tree_name);return NULL;}*/ i = GB_read_int(gbd); if ( i<0 || i>= size ) { *error = "An inner node of the tree is corrupt"; } else { gb_tree_nodes[i] = gb_node; } } } if (!*error) { char *cptr[1]; long startid[1]; char *fbuf; startid[0] = 0; fbuf = cptr[0] = GB_read_string(gb_ctree); node = gbt_read_tree_rek(cptr, startid, gb_tree_nodes, structure_size,(int)size, error); free (fbuf); } free((char *)gb_tree_nodes); return node; } GBT_TREE *GBT_read_tree_and_size(GBDATA *gb_main,const char *tree_name, long structure_size, int *tree_size) { /* Read a tree from DB. * In case of failure, return NULL (and export error) */ GB_ERROR error = 0; if (!tree_name) { error = "no treename given"; } else { error = GBT_check_tree_name(tree_name); if (!error) { GBDATA *gb_tree = GBT_get_tree(gb_main, tree_name); if (!gb_tree) { error = GBS_global_string("Could not find tree '%s'", tree_name); } else { GBDATA *gb_nnodes = GB_entry(gb_tree, "nnodes"); if (!gb_nnodes) { error = GBS_global_string("Tree '%s' is empty", tree_name); } else { long size = GB_read_int(gb_nnodes); if (!size) { error = GBS_global_string("Tree '%s' has zero size", tree_name); } else { GBDATA *gb_ctree = GB_search(gb_tree, "tree", GB_FIND); if (!gb_ctree) { error = "Sorry - old tree format no longer supported"; } else { /* "new" style tree */ GBT_TREE *tree = read_tree_and_size_internal(gb_tree, gb_ctree, structure_size, size, &error); if (!error) { gb_assert(tree); if (tree_size) *tree_size = size; /* return size of tree */ return tree; } gb_assert(!tree); } } } } } } gb_assert(error); GB_export_errorf("Couldn't read tree '%s' (Reason: %s)", tree_name, error); return NULL; } GBT_TREE *GBT_read_tree(GBDATA *gb_main,const char *tree_name, long structure_size) { return GBT_read_tree_and_size(gb_main, tree_name, structure_size, 0); } GBT_TREE *GBT_read_plain_tree(GBDATA *gb_main, GBDATA *gb_ctree, long structure_size, GB_ERROR *error) { GBT_TREE *t; gb_assert(error && !*error); /* expect cleared error*/ GB_push_transaction(gb_main); t = read_tree_and_size_internal(0, gb_ctree, structure_size, 0, error); GB_pop_transaction(gb_main); return t; } /******************************************************************************************** link the tree tips to the database ********************************************************************************************/ long GBT_count_nodes(GBT_TREE *tree){ if ( tree->is_leaf ) { return 1; } return GBT_count_nodes(tree->leftson) + GBT_count_nodes(tree->rightson); } struct link_tree_data { GB_HASH *species_hash; GB_HASH *seen_species; /* used to count duplicates */ int nodes; /* if != 0 -> update status */; int counter; int zombies; /* counts zombies */ int duplicates; /* counts duplicates */ }; static GB_ERROR gbt_link_tree_to_hash_rek(GBT_TREE *tree, struct link_tree_data *ltd) { GB_ERROR error = 0; if (tree->is_leaf) { if (ltd->nodes) { /* update status? */ GB_status(ltd->counter/(double)ltd->nodes); ltd->counter++; } tree->gb_node = 0; if (tree->name) { GBDATA *gbd = (GBDATA*)GBS_read_hash(ltd->species_hash, tree->name); if (gbd) tree->gb_node = gbd; else ltd->zombies++; if (ltd->seen_species) { if (GBS_read_hash(ltd->seen_species, tree->name)) ltd->duplicates++; else GBS_write_hash(ltd->seen_species, tree->name, 1); } } } else { error = gbt_link_tree_to_hash_rek(tree->leftson, ltd); if (!error) error = gbt_link_tree_to_hash_rek(tree->rightson, ltd); } return error; } GB_ERROR GBT_link_tree_using_species_hash(GBT_TREE *tree, GB_BOOL show_status, GB_HASH *species_hash, int *zombies, int *duplicates) { GB_ERROR error; struct link_tree_data ltd; long leafs = 0; if (duplicates || show_status) { leafs = GBT_count_nodes(tree); } ltd.species_hash = species_hash; ltd.seen_species = leafs ? GBS_create_hash(2*leafs, GB_IGNORE_CASE) : 0; ltd.zombies = 0; ltd.duplicates = 0; ltd.counter = 0; if (show_status) { GB_status2("Relinking tree to database"); ltd.nodes = leafs; } else { ltd.nodes = 0; } error = gbt_link_tree_to_hash_rek(tree, <d); if (ltd.seen_species) GBS_free_hash(ltd.seen_species); if (zombies) *zombies = ltd.zombies; if (duplicates) *duplicates = ltd.duplicates; return error; } /** Link a given tree to the database. That means that for all tips the member gb_node is set to the database container holding the species data. returns the number of zombies and duplicates in 'zombies' and 'duplicates' */ GB_ERROR GBT_link_tree(GBT_TREE *tree,GBDATA *gb_main,GB_BOOL show_status, int *zombies, int *duplicates) { GB_HASH *species_hash = GBT_create_species_hash(gb_main); GB_ERROR error = GBT_link_tree_using_species_hash(tree, show_status, species_hash, zombies, duplicates); GBS_free_hash(species_hash); return error; } /** Unlink a given tree from the database. */ void GBT_unlink_tree(GBT_TREE *tree) { tree->gb_node = 0; if (!tree->is_leaf) { GBT_unlink_tree(tree->leftson); GBT_unlink_tree(tree->rightson); } } GBDATA *GBT_get_tree(GBDATA *gb_main, const char *tree_name) { /* returns the datapntr to the database structure, which is the container for the tree */ GBDATA *gb_treedata = GB_search(gb_main,"tree_data",GB_CREATE_CONTAINER); return GB_entry(gb_treedata, tree_name); } long GBT_size_of_tree(GBDATA *gb_main, const char *tree_name) { GBDATA *gb_tree = GBT_get_tree(gb_main,tree_name); GBDATA *gb_nnodes; if (!gb_tree) return -1; gb_nnodes = GB_entry(gb_tree,"nnodes"); if (!gb_nnodes) return -1; return GB_read_int(gb_nnodes); } char *GBT_find_largest_tree(GBDATA *gb_main){ char *largest = 0; long maxnodes = 0; GBDATA *gb_treedata = GB_search(gb_main,"tree_data",GB_CREATE_CONTAINER); GBDATA *gb_tree; for (gb_tree = GB_child(gb_treedata); gb_tree; gb_tree = GB_nextChild(gb_tree)) { long *nnodes = GBT_read_int(gb_tree, "nnodes"); if (nnodes && *nnodes>maxnodes) { freeset(largest, GB_read_key(gb_tree)); maxnodes = *nnodes; } } return largest; } char *GBT_find_latest_tree(GBDATA *gb_main){ char **names = GBT_get_tree_names(gb_main); char *name = 0; char **pname; if (!names) return NULL; for (pname = names;*pname;pname++) name = *pname; if (name) name = strdup(name); GBT_free_names(names); return name; } const char *GBT_tree_info_string(GBDATA *gb_main, const char *tree_name, int maxTreeNameLen) { /* maxTreeNameLen shall be the max len of the longest tree name (or -1 -> do not format) */ const char *result = 0; GBDATA *gb_tree = GBT_get_tree(gb_main,tree_name); if (!gb_tree) { GB_export_errorf("tree '%s' not found",tree_name); } else { GBDATA *gb_nnodes = GB_entry(gb_tree,"nnodes"); if (!gb_nnodes) { GB_export_errorf("nnodes not found in tree '%s'",tree_name); } else { const char *sizeInfo = GBS_global_string("(%li:%i)", GB_read_int(gb_nnodes)+1, GB_read_security_write(gb_tree)); GBDATA *gb_rem = GB_entry(gb_tree,"remark"); int len; if (maxTreeNameLen == -1) { result = GBS_global_string("%s %11s", tree_name, sizeInfo); len = strlen(tree_name); } else { result = GBS_global_string("%-*s %11s", maxTreeNameLen, tree_name, sizeInfo); len = maxTreeNameLen; } if (gb_rem) { const char *remark = GB_read_char_pntr(gb_rem); const int remarkLen = 800; char *res2 = GB_give_other_buffer(remark, len+1+11+2+remarkLen+1); strcpy(res2, result); strcat(res2, " "); strncat(res2, remark, remarkLen); result = res2; } } } return result; } GB_ERROR GBT_check_tree_name(const char *tree_name) { GB_ERROR error; if ( (error = GB_check_key(tree_name)) ) return error; if (strncmp(tree_name,"tree_",5)){ return GB_export_errorf("your treename '%s' does not begin with 'tree_'",tree_name); } return 0; } char **GBT_get_tree_names_and_count(GBDATA *Main, int *countPtr){ /* returns an null terminated array of string pointers */ int count = 0; GBDATA *gb_treedata = GB_entry(Main,"tree_data"); char **erg = 0; if (gb_treedata) { GBDATA *gb_tree; count = 0; for (gb_tree = GB_child(gb_treedata); gb_tree; gb_tree = GB_nextChild(gb_tree)) { count ++; } if (count) { erg = (char **)GB_calloc(sizeof(char *),(size_t)count+1); count = 0; for (gb_tree = GB_child(gb_treedata); gb_tree; gb_tree = GB_nextChild(gb_tree) ) { erg[count] = GB_read_key(gb_tree); count ++; } } } *countPtr = count; return erg; } char **GBT_get_tree_names(GBDATA *Main){ int dummy; return GBT_get_tree_names_and_count(Main, &dummy); } char *GBT_get_next_tree_name(GBDATA *gb_main, const char *tree_name) { /* returns a heap-copy of the name of the next tree behind 'tree_name'. * If 'tree_name' is NULL or points to the last tree, returns the first tree. * If no tree exists, returns NULL. */ GBDATA *gb_tree = 0; if (tree_name) { gb_tree = GBT_get_tree(gb_main, tree_name); gb_tree = GB_nextChild(gb_tree); } if (!gb_tree) { GBDATA *gb_treedata = GB_search(gb_main,"tree_data",GB_CREATE_CONTAINER); gb_tree = GB_child(gb_treedata); } return gb_tree ? GB_read_key(gb_tree) : NULL; } int gbt_sum_leafs(GBT_TREE *tree){ if (tree->is_leaf){ return 1; } return gbt_sum_leafs(tree->leftson) + gbt_sum_leafs(tree->rightson); } GB_CSTR *gbt_fill_species_names(GB_CSTR *des,GBT_TREE *tree) { if (tree->is_leaf){ des[0] = tree->name; return des+1; } des = gbt_fill_species_names(des,tree->leftson); des = gbt_fill_species_names(des,tree->rightson); return des; } GB_CSTR *GBT_get_species_names_of_tree(GBT_TREE *tree){ /* creates an array of all species names in a tree, * The names are not allocated (so they may change as side effect of renaming species) */ int size = gbt_sum_leafs(tree); GB_CSTR *result = (GB_CSTR *)GB_calloc(sizeof(char *),size +1); #if defined(DEBUG) GB_CSTR *check = #endif // DEBUG gbt_fill_species_names(result,tree); ad_assert(check - size == result); return result; } char *GBT_existing_tree(GBDATA *gb_main, const char *tree_name) { /* search for an existing or an alternate tree */ GBDATA *gb_tree = 0; GBDATA *gb_treedata = GB_entry(gb_main,"tree_data"); if (gb_treedata) { gb_tree = GB_entry(gb_treedata, tree_name); if (!gb_tree) gb_tree = GB_child(gb_treedata); // take any tree } return gb_tree ? GB_read_key(gb_tree) : NULL; } ./arbsrc_9167/ARBDB/adtune.c0000644012664100000130000000264311440743000015373 0ustar arb_buildcoders#include const int GBCM_BUFFER = 8192; /* The communication buffer size */ const int GB_REMOTE_HASH_SIZE = 0x40000; /* The initial hash size in any client to find the database entry in the server */ const int GBM_MAX_UNINDEXED_ENTRIES = 64; /* The maximum number fields with the same key which are not put together in one memory segment */ const int GB_TOTAL_CACHE_SIZE = 25000000; /* Initial cache size in bytes */ const int GB_MAX_CACHED_ENTRIES = 8192; /* maximum number of cached items (Maximum 32000) */ const int GB_MAX_QUICK_SAVE_INDEX = 99; /* Maximum extension-index of quick saves (Maximum 99) */ const int GB_MAX_QUICK_SAVES = 10; /* maximum number of quick saves */ const int GB_MAX_LOCAL_SEARCH = 256; /* Maximum number of children before doing a search in the database server */ const int GBTUM_SHORT_STRING_SIZE = 128; /* the maximum strlen which is stored in short string format */ const int GB_HUFFMAN_MIN_SIZE = 128; /* min length, before huffmann code is used */ const int GB_RUNLENGTH_MIN_SIZE = 64; /* min length, before runlength code is used */ const int GB_MAX_REDO_CNT = 10; /* maximum number of redos */ const int GB_MAX_UNDO_CNT = 100; /* maximum number of undos */ const int GB_MAX_UNDO_SIZE = 1000000; /* total bytes used for undo*/ ./arbsrc_9167/ARBDB/adtune.h0000644012664100000130000000267711440743000015407 0ustar arb_buildcoders#define GB_RUNLENGTH_SIZE 6 extern const int GBCM_BUFFER; /* The communication buffer size */ extern const int GB_REMOTE_HASH_SIZE; /* The initial hash size in any client to find the database entry in the server */ extern const int GBM_MAX_UNINDEXED_ENTRIES; /* The maximum number fields with the same key which are not put together in one memory segment */ extern const int GB_TOTAL_CACHE_SIZE ; /* Initial cache size in bytes */ extern const int GB_MAX_CACHED_ENTRIES ; /* maximum number of cached items (Maximum 32000) */ extern const int GB_MAX_QUICK_SAVE_INDEX ; /* Maximum extension-index of quick saves (Maximum 99) */ extern const int GB_MAX_QUICK_SAVES ; /* maximum number of quick saves */ extern const int GB_MAX_LOCAL_SEARCH ; /* Maximum number of children before doing a search in the database server */ extern const int GBTUM_SHORT_STRING_SIZE ; /* the maximum strlen which is stored in short string format */ extern const int GB_HUFFMAN_MIN_SIZE ; /* min length, before huffmann code is used */ extern const int GB_RUNLENGTH_MIN_SIZE ; /* min length, before runlength code is used */ extern const int GB_MAX_REDO_CNT ; /* maximum number of redos */ extern const int GB_MAX_UNDO_CNT ; /* maximum number of undos */ extern const int GB_MAX_UNDO_SIZE ; /* total bytes used for undo*/ ./arbsrc_9167/ARBDB/arb_assert.h0000644012664100000130000001376011440743000016247 0ustar arb_buildcoders/* ==================================================================== File : arb_assert.h Purpose : Global assert macro Coded by Ralf Westram (coder@reallysoft.de) in August 2002 Copyright Department of Microbiology (Technical University Munich) Visit our web site at: http://www.arb-home.de/ ==================================================================== */ #ifndef ARB_ASSERT_H #define ARB_ASSERT_H /* ------------------------------------------------------------ * Define SIMPLE_ARB_ASSERT before including this header * to avoid ARBDB dependency! * * ASSERT_CRASH if assert fails debugger stops at assert macro * ASSERT_BACKTRACE_AND_CRASH like ASSERT_CRASH - with backtrace * ASSERT_ERROR assert prints an error and ARB exits * ASSERT_PRINT assert prints a message (anyway) and ARB continues * ASSERT_NONE assertions inactive * * ------------------------------------------------------------ */ /* check correct definition of DEBUG/NDEBUG */ #ifndef NDEBUG # ifndef DEBUG # error Neither DEBUG nor NDEBUG is defined! # endif #else # ifdef DEBUG # error Both DEBUG and NDEBUG are defined - only one should be! # endif #endif #ifdef arb_assert #error arb_assert already defined #endif /* only use ONE of the following ASSERT_xxx defines : */ #if defined(DEBUG) && !defined(DEVEL_RELEASE) /* assert that raises SIGSEGV (recommended for DEBUG version!) */ // # define ASSERT_CRASH # define ASSERT_BACKTRACE_AND_CRASH /* test if a bug has to do with assertion code */ /* # define ASSERT_NONE */ #else /* no assert (recommended for final version!) */ # define ASSERT_NONE /* assert as error in final version (allows basic debugging of NDEBUG version) */ /* # define ASSERT_ERROR */ /* assert as print in final version (allows basic debugging of NDEBUG version) */ /* # define ASSERT_PRINT */ #endif /* ------------------------------------------------------------------------------- * Provoke a SIGSEGV (which will stop the debugger or terminated the application) * Do backtrace manually here and uninstall SIGSEGV-handler * (done because automatic backtrace on SIGSEGV lacks name of current function) */ #define ARB_SIGSEGV(backtrace) do { \ if (backtrace) GBK_dump_backtrace(NULL, "ARB_SIGSEGV"); \ GBK_install_SIGSEGV_handler(GB_FALSE); \ *(int *)0 = 0; \ } while(0) /* ------------------------------------------------------------ */ /* use ASSERTION_USED for code needed for assertions */ #define ASSERTION_USED /* ------------------------------------------------------------ */ #if defined(SIMPLE_ARB_ASSERT) #ifndef ASSERT_NONE # define arb_assert(cond) \ do { \ if (!(cond)) { \ fprintf(stderr, "Assertion '%s' failed in '%s' #%i\n", \ #cond, __FILE__, __LINE__); \ *(int *)0 = 0; \ } \ } while (0) #endif /* ------------------------------------------------------------ */ #else #ifdef ASSERT_CRASH # define arb_assert(cond) \ do { \ if (!(cond)) ARB_SIGSEGV(0); \ } while (0) #endif #ifdef ASSERT_BACKTRACE_AND_CRASH # define arb_assert(cond) \ do { \ if (!(cond)) { \ fputs(GBK_assert_msg(#cond, __FILE__, __LINE__), stderr); \ fflush(stderr); \ ARB_SIGSEGV(1); \ } \ } while (0) #endif #ifdef ASSERT_ERROR # define arb_assert(cond) assert_or_exit(cond) #endif #ifdef ASSERT_PRINT # define arb_assert(cond) \ do { \ fprintf(stderr, "at %s #%i\n", __FILE__, __LINE__); \ if (!(cond)) fprintf(stderr, "assertion '%s' failed!\n", #cond); \ fflush(stderr); \ } while (0) #endif #endif // SIMPLE_ARB_ASSERT #ifdef ASSERT_NONE # undef ASSERTION_USED # define arb_assert(cond) #endif #undef ASSERT_CRASH #undef ASSERT_BACKTRACE_AND_CRASH #undef ASSERT_ERROR #undef ASSERT_PRINT #undef ASSERT_NONE #ifndef arb_assert # error arb_assert has not been defined -- check ASSERT_xxx definitions #endif #if !defined(SIMPLE_ARB_ASSERT) #define assert_or_exit(cond) \ do { \ if (!(cond)) { \ GBK_terminate(GBK_assert_msg(#cond, __FILE__, __LINE__)); \ } \ } while(0) #endif // SIMPLE_ARB_ASSERT /* ------------------------------------------------------------ */ /* use the following macros for parameters etc. only appearing in one version */ #ifdef DEBUG # define IF_DEBUG(x) x # define IF_NDEBUG(x) #else # define IF_DEBUG(x) # define IF_NDEBUG(x) x #endif /* ------------------------------------------------------------ */ #ifdef DEVEL_RELEASE #ifdef ASSERTION_USED #error Assertions enabled in release #endif #endif /* ------------------------------------------------------------ */ #if !defined(SIMPLE_ARB_ASSERT) #ifndef ADLOCAL_H #ifndef ARBDB_BASE_H #include #endif #endif #endif // SIMPLE_ARB_ASSERT #else #error arb_assert.h included twice #endif /* ARB_ASSERT_H */ ./arbsrc_9167/ARBDB/arbdb_base.h0000644012664100000130000000645511440743000016171 0ustar arb_buildcoders// ================================================================ // // // // File : arbdb_base.h // // Purpose : most minimal ARBDB interface // // provide functions/types needed for arb_assert.h // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2008 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef ARBDB_BASE_H #define ARBDB_BASE_H #ifndef _STDIO_H #include #endif #ifndef ATTRIBUTES_H #include #endif typedef const char *GB_CSTR; /* this is read-only! */ typedef const char *GB_ERROR; /* memory management is controlled by the ARBDB lib */ typedef char *GB_BUFFER; /* points to a piece of mem (writeable, but don't free!)*/ typedef const char *GB_CBUFFER; /* points to a piece of mem (readable only)*/ typedef struct gb_data_base_type GBDATA; typedef enum { GB_FALSE = 0 , GB_TRUE = 1 } GB_BOOL; typedef enum gb_call_back_type { GB_CB_NONE = 0, GB_CB_DELETE = 1, GB_CB_CHANGED = 2, // element or son of element changed GB_CB_SON_CREATED = 4, // new son created GB_CB_ALL = 7 } GB_CB_TYPE; /* -------------------------------------------------------------------------------- * The following function handle char*'s, which either own a heap copy or are NULL. * * freeset: assigns a heap-copy to a variable (variable is automatically freed) * freedup: similar to freeset, but strdup's the rhs-expression * reassign: similar to freeset, but rhs must be variable and will be set to NULL * nulldup: like strdup, but pass-through NULL * * Note: freeset, freedup and reassign may safely use the changed variable in the rhs-expression! * * @@@ the complete section could go into a separate header, * but it makes no sense atm, cause we need GB_strdup for C compilation * (using a macro would evaluate 'str' in nulldup twice - which is not ok) * */ #define freeset(var,str) do { typeof(var) freesetvar = (str); free(var); (var) = freesetvar; } while(0) #ifdef __cplusplus #ifndef _CPP_CSTRING #include #endif #ifndef _CPP_CSTDLIB #include #endif inline char *nulldup(const char *str) { return str ? strdup(str) : NULL; } // this does the same as GB_strdup inline void freedup(char *& strvar, const char *no_heapcopy) { char *tmp_copy = nulldup(no_heapcopy); free(strvar); strvar = tmp_copy; } inline void reassign(char *& dstvar, char *& srcvar) { freeset(dstvar, srcvar); srcvar = NULL; } #else #define nulldup(str) GB_strdup(str) #define freedup(var,str) freeset(var, nulldup(str)) #define reassign(dvar,svar) do { freeset(dvar, svar); (svar) = NULL; } while(0) #endif /* -------------------------------------------------------------------------------- */ #ifndef P_ #define P_(s) s #endif #ifndef AD_K_PROT_H #include #endif #else #error arbdb_base.h included twice #endif // ARBDB_BASE_H ./arbsrc_9167/ARBDB/arbdb.c0000644012664100000130000023606712050705370015204 0ustar arb_buildcoders#if defined(DARWIN) #include #endif /* DARWIN */ #include #include /* #include */ #include #include #include #include #include "adlocal.h" /* #include "arbdb.h" */ struct gb_local_data *gb_local = 0; #ifdef ARBDB_SIZEDEBUG long *arbdb_stat; #endif char *GB_rel(void *struct_adress,long rel_adress) { if (!rel_adress) return NULL; return (char*)struct_adress+rel_adress; } /******************************************************************************************** GB local data ********************************************************************************************/ NOT4PERL GB_ERROR GB_safe_atof(const char *str, double *res) { GB_ERROR error = NULL; char *end; *res = strtod(str, &end); if (end == str || end[0] != 0) { error = GBS_global_string("cannot convert '%s' to double", str); } return error; } double GB_atof(const char *str) { // convert ASCII to double double res = 0; #if defined(DEBUG) GB_ERROR error = #endif /* DEBUG */ GB_safe_atof(str, &res); gb_assert(!error); // expected double in 'str' - better use GB_safe_atof() return res; } /******************************************************************************************** compression tables ********************************************************************************************/ int gb_convert_type_2_compression_flags[] = { /* GB_NONE 0 */ GB_COMPRESSION_NONE, /* GB_BIT 1 */ GB_COMPRESSION_NONE, /* GB_BYTE 2 */ GB_COMPRESSION_NONE, /* GB_INT 3 */ GB_COMPRESSION_NONE, /* GB_FLOAT 4 */ GB_COMPRESSION_NONE, /* GB_?? 5 */ GB_COMPRESSION_NONE, /* GB_BITS 6 */ GB_COMPRESSION_BITS, /* GB_?? 7 */ GB_COMPRESSION_NONE, /* GB_BYTES 8 */ GB_COMPRESSION_RUNLENGTH | GB_COMPRESSION_HUFFMANN, /* GB_INTS 9 */ GB_COMPRESSION_RUNLENGTH | GB_COMPRESSION_HUFFMANN | GB_COMPRESSION_SORTBYTES, /* GB_FLTS 10 */ GB_COMPRESSION_RUNLENGTH | GB_COMPRESSION_HUFFMANN | GB_COMPRESSION_SORTBYTES, /* GB_LINK 11 */ GB_COMPRESSION_NONE, /* GB_STR 12 */ GB_COMPRESSION_RUNLENGTH | GB_COMPRESSION_HUFFMANN | GB_COMPRESSION_DICTIONARY, /* GB_STRS 13 */ GB_COMPRESSION_NONE, /* GB?? 14 */ GB_COMPRESSION_NONE, /* GB_DB 15 */ GB_COMPRESSION_NONE }; int gb_convert_type_2_sizeof[] = { /* contains the unit-size of data stored in DB, * i.e. realsize = unit_size * GB_GETSIZE() */ /* GB_NONE 0 */ 0, /* GB_BIT 1 */ 0, /* GB_BYTE 2 */ sizeof(char), /* GB_INT 3 */ sizeof(int), /* GB_FLOAT 4 */ sizeof(float), /* GB_?? 5 */ 0, /* GB_BITS 6 */ 0, /* GB_?? 7 */ 0, /* GB_BYTES 8 */ sizeof(char), /* GB_INTS 9 */ sizeof(int), /* GB_FLTS 10 */ sizeof(float), /* GB_LINK 11 */ sizeof(char), /* GB_STR 12 */ sizeof(char), /* GB_STRS 13 */ sizeof(char), /* GB_?? 14 */ 0, /* GB_DB 15 */ 0, }; int gb_convert_type_2_appendix_size[] = { /* contains the size of the suffix (aka terminator element) * size is in bytes */ /* GB_NONE 0 */ 0, /* GB_BIT 1 */ 0, /* GB_BYTE 2 */ 0, /* GB_INT 3 */ 0, /* GB_FLOAT 4 */ 0, /* GB_?? 5 */ 0, /* GB_BITS 6 */ 0, /* GB_?? 7 */ 0, /* GB_BYTES 8 */ 0, /* GB_INTS 9 */ 0, /* GB_FLTS 10 */ 0, /* GB_LINK 11 */ 1, /* '\0' termination */ /* GB_STR 12 */ 1, /* '\0' termination */ /* GB_STRS 13 */ 1, /* '\0' termination */ /* GB_?? 14 */ 0, /* GB_DB 15 */ 0, }; /* --------------------------------- */ /* local buffer management */ static void init_buffer(struct gb_buffer *buf, size_t initial_size) { buf->size = initial_size; buf->mem = buf->size ? (char*)malloc(buf->size) : NULL; } static char *check_out_buffer(struct gb_buffer *buf) { char *checkOut = buf->mem; buf->mem = 0; buf->size = 0; return checkOut; } static void alloc_buffer(struct gb_buffer *buf, size_t size) { free(buf->mem); buf->size = size; #if (MEMORY_TEST==1) buf->mem = (char *)malloc(buf->size); #else buf->mem = (char *)GB_calloc(buf->size,1); #endif } static GB_BUFFER give_buffer(struct gb_buffer *buf, size_t size) { #if (MEMORY_TEST==1) alloc_buffer(buf, size); // do NOT reuse buffer if testing memory #else if (size >= buf->size) { alloc_buffer(buf, size); } #endif return buf->mem; } static int is_in_buffer(struct gb_buffer *buf, GB_CBUFFER ptr) { return ptr >= buf->mem && ptr < buf->mem+buf->size; } /* ------------------------------ */ GB_BUFFER GB_give_buffer(size_t size) { /* return a pointer to a static piece of memory at least size bytes long */ return give_buffer(&gb_local->buf1, size); } GB_BUFFER GB_increase_buffer(size_t size) { if (size < gb_local->buf1.size) { char *old_buffer = gb_local->buf1.mem; size_t old_size = gb_local->buf1.size; gb_local->buf1.mem = NULL; alloc_buffer(&gb_local->buf1, size); memcpy(gb_local->buf1.mem, old_buffer, old_size); free(old_buffer); } return gb_local->buf1.mem; } int GB_give_buffer_size(){ return gb_local->buf1.size; } GB_BUFFER GB_give_buffer2(long size) { return give_buffer(&gb_local->buf2, size); } int GB_is_in_buffer(GB_CBUFFER ptr) { /* returns 1 or 2 if 'ptr' points to gb_local->buf1/buf2 * returns 0 otherwise */ int buffer = 0; if (is_in_buffer(&gb_local->buf1, ptr)) buffer = 1; else if (is_in_buffer(&gb_local->buf2, ptr)) buffer = 2; return buffer; } char *GB_check_out_buffer(GB_CBUFFER buffer) { /* Check a piece of memory out of the buffer management * after it is checked out, the user has the full control to use and free it * Returns a pointer to the start of the buffer (even if 'buffer' points inside the buffer!) */ char *old = 0; if (is_in_buffer(&gb_local->buf1, buffer)) old = check_out_buffer(&gb_local->buf1); else if (is_in_buffer(&gb_local->buf2, buffer)) old = check_out_buffer(&gb_local->buf2); return old; } GB_BUFFER GB_give_other_buffer(GB_CBUFFER buffer, long size) { return is_in_buffer(&gb_local->buf1, buffer) ? GB_give_buffer2(size) : GB_give_buffer(size); } /******************************************************************************************** GB local data ********************************************************************************************/ unsigned char GB_BIT_compress_data[] = { 0x1d,gb_cs_ok,0,0, 0x04,gb_cs_ok,0,1, 0x0a,gb_cs_ok,0,2, 0x0b,gb_cs_ok,0,3, 0x0c,gb_cs_ok,0,4, 0x1a,gb_cs_ok,0,5, 0x1b,gb_cs_ok,0,6, 0x1c,gb_cs_ok,0,7, 0xf0,gb_cs_ok,0,8, 0xf1,gb_cs_ok,0,9, 0xf2,gb_cs_ok,0,10, 0xf3,gb_cs_ok,0,11, 0xf4,gb_cs_ok,0,12, 0xf5,gb_cs_ok,0,13, 0xf6,gb_cs_ok,0,14, 0xf7,gb_cs_ok,0,15, 0xf8,gb_cs_sub,0,16, 0xf9,gb_cs_sub,0,32, 0xfa,gb_cs_sub,0,48, 0xfb,gb_cs_sub,0,64, 0xfc,gb_cs_sub,0,128, 0xfd,gb_cs_sub,1,0, 0xfe,gb_cs_sub,2,0, 0xff,gb_cs_sub,4,0, 0 }; void GB_init_gb(void) { if (!gb_local) { gb_local = (struct gb_local_data *)gbm_get_mem(sizeof(struct gb_local_data),0); init_buffer(&gb_local->buf1, 4000); init_buffer(&gb_local->buf2, 4000); gb_local->write_bufsize = GBCM_BUFFER; gb_local->write_buffer = (char *)malloc((size_t)gb_local->write_bufsize); gb_local->write_ptr = gb_local->write_buffer; gb_local->write_free = gb_local->write_bufsize; gb_local->bituncompress = gb_build_uncompress_tree(GB_BIT_compress_data,1,0); gb_local->bitcompress = gb_build_compress_list(GB_BIT_compress_data,1,&(gb_local->bc_size)); #ifdef ARBDB_SIZEDEBUG arbdb_stat = (long *)GB_calloc(sizeof(long),1000); #endif } } /******************************************************************************************** unfold -> load data from disk or server ********************************************************************************************/ GB_ERROR gb_unfold(GBCONTAINER *gbd, long deep, int index_pos) { /* get data from server. * if deep, then get subitems too. * If index_pos >= 0, get indexed item from server * <0, get all items */ GB_ERROR error; GBDATA *gb2; struct gb_header_list_struct *header = GB_DATA_LIST_HEADER(gbd->d); if (!gbd->flags2.folded_container) return 0; if (index_pos> gbd->d.nheader) gb_create_header_array(gbd,index_pos + 1); if (index_pos >= 0 && GB_HEADER_LIST_GBD(header[index_pos])) return 0; if (GBCONTAINER_MAIN(gbd)->local_mode == GB_TRUE) { GB_internal_error("Cannot unfold local_mode database"); return 0; } do { if (index_pos<0 ) break; if (index_pos >= gbd->d.nheader) break; if ( (int)header[index_pos].flags.changed >= gb_deleted){ GB_internal_error("Tried to unfold a deleted item"); return 0; } if (GB_HEADER_LIST_GBD(header[index_pos])) return 0; /* already unfolded */ } while (0); error= gbcm_unfold_client(gbd,deep,index_pos); if (error) { GB_print_error(); return error; } if ( index_pos<0 ) { gb_untouch_children(gbd); gbd->flags2.folded_container = 0; }else{ if ( (gb2 = GBCONTAINER_ELEM(gbd,index_pos)) ) { if (GB_TYPE(gb2) == GB_DB) gb_untouch_children((GBCONTAINER *)gb2); gb_untouch_me(gb2); } } return 0; } /******************************************************************************************** CLOSE DATABASE ********************************************************************************************/ typedef void (*gb_close_callback)(GBDATA *gb_main, void *client_data); struct gb_close_callback_struct { struct gb_close_callback_struct *next; gb_close_callback cb; void *client_data; }; #if defined(DEBUG) static GB_BOOL atclose_cb_exists(struct gb_close_callback_struct *gccs, gb_close_callback cb) { return gccs && (gccs->cb == cb || atclose_cb_exists(gccs->next, cb)); } #endif /* DEBUG */ void GB_atclose(GBDATA *gbd, void (*fun)(GBDATA *gb_main, void *client_data), void *client_data) { // Add a callback, which gets called directly before GB_close destroys all data. // This is the recommended way to remove all callbacks from DB elements. GB_MAIN_TYPE *Main = GB_MAIN(gbd); gb_assert(!atclose_cb_exists(Main->close_callbacks, fun)); // each close callback should only exist once struct gb_close_callback_struct *gccs = (struct gb_close_callback_struct *)malloc(sizeof(*gccs)); gccs->next = Main->close_callbacks; gccs->cb = fun; gccs->client_data = client_data; Main->close_callbacks = gccs; } static void run_close_callbacks(GBDATA *gb_main, struct gb_close_callback_struct *gccs) { while (gccs) { gccs->cb(gb_main, gccs->client_data); struct gb_close_callback_struct *next = gccs->next; free(gccs); gccs = next; } } void GB_close(GBDATA *gbd) { GB_ERROR error = 0; GB_MAIN_TYPE *Main = GB_MAIN(gbd); gb_assert(Main->transaction == 0); // you can't close DB if there is still an open transaction! if (!Main->local_mode){ long result = gbcmc_close(Main->c_link); if (result != 0) error = GBS_global_string("gbcmc_close returns %li", result); } if (!error) { gb_assert((GBDATA*)Main->data == gbd); run_close_callbacks(gbd, Main->close_callbacks); Main->close_callbacks = 0; gb_delete_main_entry(&gbd); /* ARBDB applications using awars easily crash in gb_do_callback_list(), * if AWARs are still bound to elements in the closed database. * * To unlink awars call AW_root::unlink_awars_from_DB(). * If that doesn't help, test Main->data (often aka as GLOBAL_gb_main) */ Main->data = NULL; gb_do_callback_list(Main); /* do all callbacks */ gb_destroy_main(Main); } if (error) { GB_warningf("Error in GB_close: %s", error); } } /******************************************************************************************** READ DATA ********************************************************************************************/ long GB_read_int(GBDATA *gbd) { GB_TEST_READ(gbd,GB_INT,"GB_read_int"); return gbd->info.i; } int GB_read_byte(GBDATA *gbd) { GB_TEST_READ(gbd,GB_BYTE,"GB_read_byte"); return gbd->info.i; } void *GB_read_pointer(GBDATA *gbd) { GB_TEST_READ(gbd,GB_POINTER,"GB_read_pointer"); return gbd->info.ptr; } double GB_read_float(GBDATA *gbd) { XDR xdrs; static float f; GB_TEST_READ(gbd,GB_FLOAT,"GB_read_float"); xdrmem_create(&xdrs, &gbd->info.in.data[0],SIZOFINTERN,XDR_DECODE); xdr_float(&xdrs,&f); xdr_destroy(&xdrs); return (double)f; } long GB_read_count(GBDATA *gbd) { return GB_GETSIZE(gbd); } long GB_read_memuse(GBDATA *gbd) { return GB_GETMEMSIZE(gbd); } GB_CSTR GB_read_pntr(GBDATA *gbd) { int type = GB_TYPE(gbd); char *data = GB_GETDATA(gbd); if (data) { if (gbd->flags.compressed_data) { /* uncompressed data return pntr to database entry */ char *ca = gb_read_cache(gbd); if (!ca) { long size = GB_UNCOMPRESSED_SIZE(gbd, type); const char *da = gb_uncompress_data(gbd,data,size); if (da) { ca = gb_alloc_cache_index(gbd,size); memcpy(ca,da,size); } } data = ca; } } return data; } int gb_read_nr(GBDATA *gbd){ return gbd->index; } GB_CSTR GB_read_char_pntr(GBDATA *gbd) { GB_TEST_READ(gbd,GB_STRING,"GB_read_char_pntr"); return GB_read_pntr(gbd); } char *GB_read_string(GBDATA *gbd) { const char *d; GB_TEST_READ(gbd,GB_STRING,"GB_read_string"); d = GB_read_pntr(gbd); if (!d) return NULL; return gbs_malloc_copy(d,GB_GETSIZE(gbd)+1); } long GB_read_string_count(GBDATA *gbd) { GB_TEST_READ(gbd,GB_STRING,"GB_read_string_count"); return GB_GETSIZE(gbd); } GB_CSTR GB_read_link_pntr(GBDATA *gbd) { GB_TEST_READ(gbd,GB_LINK,"GB_read_link_pntr"); return GB_read_pntr(gbd); } char *GB_read_link(GBDATA *gbd) { const char *d; GB_TEST_READ(gbd,GB_LINK,"GB_read_link_pntr"); d = GB_read_pntr(gbd); if (!d) return NULL; return gbs_malloc_copy(d,GB_GETSIZE(gbd)+1); } long GB_read_link_count(GBDATA *gbd) { GB_TEST_READ(gbd,GB_LINK,"GB_read_link_pntr"); return GB_GETSIZE(gbd); } long GB_read_bits_count(GBDATA *gbd) { GB_TEST_READ(gbd,GB_BITS,"GB_read_bits_count"); return GB_GETSIZE(gbd); } GB_CSTR GB_read_bits_pntr(GBDATA *gbd,char c_0, char c_1) { char *data; long size; GB_TEST_READ(gbd,GB_BITS,"GB_read_bits_pntr"); data = GB_GETDATA(gbd); size = GB_GETSIZE(gbd); if (!size) return 0; { char *ca = gb_read_cache(gbd); char *da; if (ca) return ca; ca = gb_alloc_cache_index(gbd,size+1); da = gb_uncompress_bits(data,size,c_0,c_1); if (ca) { memcpy(ca,da,size+1); return ca; }else{ return da; } } } char *GB_read_bits(GBDATA *gbd, char c_0, char c_1) { GB_CSTR d = GB_read_bits_pntr(gbd,c_0,c_1); return d ? gbs_malloc_copy(d,GB_GETSIZE(gbd)+1) : 0; } GB_CSTR GB_read_bytes_pntr(GBDATA *gbd) { GB_TEST_READ(gbd,GB_BYTES,"GB_read_bytes_pntr"); return GB_read_pntr(gbd); } long GB_read_bytes_count(GBDATA *gbd) { GB_TEST_READ(gbd,GB_BYTES,"GB_read_bytes_count"); return GB_GETSIZE(gbd); } char *GB_read_bytes(GBDATA *gbd) { GB_CSTR d = GB_read_bytes_pntr(gbd); return d ? gbs_malloc_copy(d,GB_GETSIZE(gbd)) : 0; } GB_CUINT4 *GB_read_ints_pntr(GBDATA *gbd) { GB_UINT4 *res; GB_TEST_READ(gbd,GB_INTS,"GB_read_ints_pntr"); if (gbd->flags.compressed_data) { res = (GB_UINT4 *)GB_read_pntr(gbd); }else{ res = (GB_UINT4 *)GB_GETDATA(gbd); } if (!res) return NULL; if ( 0x01020304U == htonl(0x01020304U) ) { return res; }else{ long i; int size = GB_GETSIZE(gbd); char *buf2 = GB_give_other_buffer((char *)res,size<<2); GB_UINT4 *s = (GB_UINT4 *)res; GB_UINT4 *d = (GB_UINT4 *)buf2; for (i=size;i;i--) { *(d++) = htonl(*(s++)); } return (GB_UINT4 *)buf2; } } long GB_read_ints_count(GBDATA *gbd) { GB_TEST_READ(gbd,GB_INTS,"GB_read_ints_count"); return GB_GETSIZE(gbd); } GB_UINT4 *GB_read_ints(GBDATA *gbd) { GB_CUINT4 *i = GB_read_ints_pntr(gbd); if (!i) return NULL; return (GB_UINT4 *)gbs_malloc_copy((char *)i,GB_GETSIZE(gbd)*sizeof(GB_UINT4)); } GB_CFLOAT *GB_read_floats_pntr(GBDATA *gbd) { char *buf2; char *res; GB_TEST_READ(gbd,GB_FLOATS,"GB_read_floats_pntr"); if (gbd->flags.compressed_data) { res = (char *)GB_read_pntr(gbd); }else{ res = (char *)GB_GETDATA(gbd); } if (!res) return NULL; { XDR xdrs; float *d; long i; long size = GB_GETSIZE(gbd); long full_size = size*sizeof(float); xdrmem_create(&xdrs, res,(int)(full_size),XDR_DECODE); buf2 = GB_give_other_buffer(res,full_size); d = (float *)buf2; for (i=size;i;i--) { xdr_float(&xdrs,d); d++; } xdr_destroy(&xdrs); } return (float *)buf2; } long GB_read_floats_count(GBDATA *gbd) { GB_TEST_READ(gbd,GB_FLOATS,"GB_read_floats_count"); return GB_GETSIZE(gbd); } float *GB_read_floats(GBDATA *gbd) { GB_CFLOAT *f; f = GB_read_floats_pntr(gbd); if (!f) return NULL; return (float *)gbs_malloc_copy((char *)f,GB_GETSIZE(gbd)*sizeof(float)); } char *GB_read_as_string(GBDATA *gbd) { switch (GB_TYPE(gbd)) { case GB_STRING: return GB_read_string(gbd); case GB_LINK: return GB_read_link(gbd); case GB_BYTE: return GBS_global_string_copy("%i",GB_read_byte(gbd)); case GB_INT: return GBS_global_string_copy("%li",GB_read_int(gbd)); case GB_FLOAT: return GBS_global_string_copy("%g",GB_read_float(gbd)); case GB_BITS: return GB_read_bits(gbd,'0','1'); /* Be careful : When adding new types here, you have to make sure that * GB_write_as_string is able to write them back and that this makes sense. */ default: return NULL; } } /* array type access functions (intended for perl use) */ long GB_read_from_ints(GBDATA *gbd, long index) { static GBDATA *last_gbd = 0; static long count = 0; static GB_CUINT4 *i = 0; if (gbd != last_gbd) { count = GB_read_ints_count(gbd); i = GB_read_ints_pntr(gbd); last_gbd = gbd; } if (index >= 0 && index < count) { return i[index]; } return -1; } double GB_read_from_floats(GBDATA *gbd, long index) { static GBDATA *last_gbd = 0; static long count = 0; static GB_CFLOAT *f = 0; if (gbd != last_gbd) { count = GB_read_floats_count(gbd); f = GB_read_floats_pntr(gbd); last_gbd = gbd; } if (index >= 0 && index < count) { return f[index]; } return -1; } /******************************************************************************************** WRITE DATA ********************************************************************************************/ static void gb_do_callbacks(GBDATA *gbd) { gb_assert(GB_MAIN(gbd)->transaction<0); // only use in "no transaction mode"! GBDATA *gbdn,*gbdc; for (gbdc= gbd; gbdc; gbdc=gbdn) { struct gb_callback *cb,*cbn; gbdn = GB_get_father(gbdc); for (cb = GB_GET_EXT_CALLBACKS(gbdc); cb; cb = cbn) { cbn = cb->next; if (cb->type & GB_CB_CHANGED) { ++cb->running; cb->func(gbdc,cb->clientdata,GB_CB_CHANGED); --cb->running; } } } } #define GB_DO_CALLBACKS(gbd) do{ if (GB_MAIN(gbd)->transaction<0) gb_do_callbacks(gbd); }while(0) GB_ERROR GB_write_byte(GBDATA *gbd,int i) { GB_TEST_WRITE(gbd,GB_BYTE,"GB_write_byte"); if (gbd->info.i != i){ gb_save_extern_data_in_ts(gbd); gbd->info.i = i & 0xff; gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); } return 0; } GB_ERROR GB_write_int(GBDATA *gbd,long i) { #if defined(ARB64) #if defined(DEVEL_RALF) #warning GB_write_int should be GB_ERROR GB_write_int(GBDATA *gbd,int32_t i) #endif /* DEVEL_RALF */ #endif /* ARB64 */ GB_TEST_WRITE(gbd,GB_INT,"GB_write_int"); if ((long)((int32_t)i) != i) { gb_assert(0); GB_warningf("Warning: 64bit incompatibility detected\nNo data written to '%s'\n", GB_get_db_path(gbd)); return "GB_INT out of range (signed, 32bit)"; } if (gbd->info.i != (int32_t)i){ gb_save_extern_data_in_ts(gbd); gbd->info.i = i; gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); } return 0; } GB_ERROR GB_write_pointer(GBDATA *gbd, void *pointer) { GB_TEST_WRITE(gbd,GB_POINTER,"GB_write_pointer"); if (gbd->info.ptr != pointer) { gb_save_extern_data_in_ts(gbd); gbd->info.ptr = pointer; gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); } return 0; } GB_ERROR GB_write_float(GBDATA *gbd,double f) { XDR xdrs; static float f2; GB_TEST_WRITE(gbd,GB_FLOAT,"GB_write_float"); GB_TEST_READ(gbd,GB_FLOAT,"GB_read_float"); xdrmem_create(&xdrs, &gbd->info.in.data[0],SIZOFINTERN,XDR_DECODE); xdr_float(&xdrs,&f2); xdr_destroy(&xdrs); if (f2 != f) { f2 = f; gb_save_extern_data_in_ts(gbd); xdrmem_create(&xdrs, &gbd->info.in.data[0],SIZOFINTERN,XDR_ENCODE); xdr_float(&xdrs,&f2); xdr_destroy(&xdrs); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); } xdr_destroy(&xdrs); return 0; } GB_ERROR gb_write_compressed_pntr(GBDATA *gbd,const char *s, long memsize , long stored_size){ GB_MAIN_TYPE *Main = GB_MAIN(gbd); gb_free_cache(Main,gbd); gb_save_extern_data_in_ts(gbd); gbd->flags.compressed_data = 1; GB_SETSMDMALLOC(gbd,stored_size,(size_t)memsize,(char *)s); gb_touch_entry(gbd,gb_changed); return 0; } int gb_get_compression_mask(GB_MAIN_TYPE *Main, GBQUARK key, int gb_type) { struct gb_key_struct *ks = &Main->keys[key]; int compression_mask; if (ks->gb_key_disabled) { compression_mask = 0; } else { if (!ks->gb_key) gb_load_single_key_data((GBDATA*)Main->data, key); compression_mask = gb_convert_type_2_compression_flags[gb_type] & ks->compression_mask; } return compression_mask; } GB_ERROR GB_write_pntr(GBDATA *gbd,const char *s, long bytes_size, long stored_size) { // 'bytes_size' is the size of what 's' points to. // 'stored_size' is the size-information written into the DB // // e.g. for strings : stored_size = bytes_size-1, cause stored_size is string len, // but bytes_size includes zero byte. GB_MAIN_TYPE *Main = GB_MAIN(gbd); GBQUARK key = GB_KEY_QUARK(gbd); const char *d; int compression_mask; long memsize; GB_TYPES type = GB_TYPE(gbd); gb_assert(type != GB_STRING || (stored_size == bytes_size-1)); // size constraint for strings not fulfilled! gb_free_cache(Main,gbd); gb_save_extern_data_in_ts(gbd); compression_mask = gb_get_compression_mask(Main, key, type); if (compression_mask){ d = gb_compress_data(gbd, key, s, bytes_size, &memsize, compression_mask, GB_FALSE); } else { d = NULL; } if (d) { gbd->flags.compressed_data = 1; } else { d = s; gbd->flags.compressed_data = 0; memsize = bytes_size; } GB_SETSMDMALLOC(gbd,stored_size,memsize,d); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); return 0; } GB_ERROR GB_write_string(GBDATA *gbd,const char *s) { long size; /*fprintf(stderr, "GB_write_string(%p, %s);\n", gbd, s);*/ GB_TEST_WRITE(gbd,GB_STRING,"GB_write_string"); GB_TEST_NON_BUFFER(s,"GB_write_string"); /* compress would destroy the other buffer */ if (!s) s = ""; size = strlen(s); /* no zero len strings allowed */ if ((GB_GETMEMSIZE(gbd)) && (size == GB_GETSIZE(gbd))) { if (!strcmp(s,GB_read_pntr(gbd))) return 0; } #if defined(DEBUG) && 0 // check for error (in compression) { GB_ERROR error = GB_write_pntr(gbd,s,size+1,size); if (!error) { char *check = GB_read_string(gbd); gb_assert(check); gb_assert(strcmp(check, s) == 0); free(check); } return error; } #else return GB_write_pntr(gbd,s,size+1,size); #endif /* DEBUG */ } GB_ERROR GB_write_link(GBDATA *gbd,const char *s) { long size; GB_TEST_WRITE(gbd,GB_STRING,"GB_write_link"); GB_TEST_NON_BUFFER(s,"GB_write_link"); /* compress would destroy the other buffer */ if (!s) s = ""; size = strlen(s); /* no zero len strings allowed */ if ((GB_GETMEMSIZE(gbd)) && (size == GB_GETSIZE(gbd))) { if (!strcmp(s,GB_read_pntr(gbd))) return 0; } return GB_write_pntr(gbd,s,size+1,size); } GB_ERROR GB_write_bits(GBDATA *gbd,const char *bits,long size, const char *c_0) { char *d; long memsize[2]; GB_TEST_WRITE(gbd,GB_BITS,"GB_write_bits"); GB_TEST_NON_BUFFER(bits,"GB_write_bits"); /* compress would destroy the other buffer */ gb_save_extern_data_in_ts(gbd); d = gb_compress_bits(bits,size,(const unsigned char *)c_0,memsize); gbd->flags.compressed_data = 1; GB_SETSMDMALLOC(gbd,size,memsize[0],d); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); return 0; } GB_ERROR GB_write_bytes(GBDATA *gbd,const char *s,long size) { GB_TEST_WRITE(gbd,GB_BYTES,"GB_write_bytes"); return GB_write_pntr(gbd,s,size,size); } GB_ERROR GB_write_ints(GBDATA *gbd,const GB_UINT4 *i,long size) { GB_TEST_WRITE(gbd,GB_INTS,"GB_write_ints"); GB_TEST_NON_BUFFER((char *)i,"GB_write_ints"); /* compress would destroy the other buffer */ if ( 0x01020304 != htonl((GB_UINT4)0x01020304) ) { long j; char *buf2 = GB_give_other_buffer((char *)i,size<<2); GB_UINT4 *s = (GB_UINT4 *)i; GB_UINT4 *d = (GB_UINT4 *)buf2; for (j=size;j;j--) { *(d++) = htonl(*(s++)); } i = (GB_UINT4 *)buf2; } return GB_write_pntr(gbd,(char *)i,size* 4 /*sizeof(long4)*/,size); } GB_ERROR GB_write_floats(GBDATA *gbd,const float *f,long size) { long fullsize = size * sizeof(float); GB_TEST_WRITE(gbd,GB_FLOATS,"GB_write_floats"); GB_TEST_NON_BUFFER((char *)f,"GB_write_floats"); /* compress would destroy the other buffer */ { XDR xdrs; long i; char *buf2 = GB_give_other_buffer((char *)f,fullsize); float *s = (float *)f; xdrmem_create(&xdrs, buf2 ,(int)fullsize ,XDR_ENCODE); for (i=size;i;i--) { xdr_float(&xdrs,s); s++; } xdr_destroy (&xdrs); f = (float *)buf2; } return GB_write_pntr(gbd,(char *)f,size*sizeof(float),size); } GB_ERROR GB_write_as_string(GBDATA *gbd,const char *val) { switch (GB_TYPE(gbd)) { case GB_STRING: return GB_write_string(gbd,val); case GB_LINK: return GB_write_link(gbd,val); case GB_BYTE: return GB_write_byte(gbd,atoi(val)); case GB_INT: return GB_write_int(gbd,atoi(val)); case GB_FLOAT: return GB_write_float(gbd,GB_atof(val)); case GB_BITS: return GB_write_bits(gbd,val,strlen(val),"0"); default: return GB_export_errorf("Error: You cannot use GB_write_as_string on this type of entry (%s)",GB_read_key_pntr(gbd)); } } /******************************************************************************************** Key Information ********************************************************************************************/ int GB_read_security_write(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); return GB_GET_SECURITY_WRITE(gbd);} int GB_read_security_read(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); return GB_GET_SECURITY_READ(gbd);} int GB_read_security_delete(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); return GB_GET_SECURITY_DELETE(gbd);} int GB_get_my_security(GBDATA *gbd) { return GB_MAIN(gbd)->security_level; } GB_ERROR gb_security_error(GBDATA *gbd){ GB_MAIN_TYPE *Main = GB_MAIN(gbd); const char *error = GB_export_errorf("Protection: Attempt to change a level-%i-'%s'-entry, \n" "but your current security level is only %i", GB_GET_SECURITY_WRITE(gbd), GB_read_key_pntr(gbd), Main->security_level); #if defined(DEBUG) fprintf(stderr, "%s\n", error); #endif /* DEBUG */ return error; } GB_ERROR GB_write_security_write(GBDATA *gbd,unsigned long level) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_TEST_TRANSACTION(gbd); if (GB_GET_SECURITY_WRITE(gbd)>Main->security_level) return gb_security_error(gbd); if (GB_GET_SECURITY_WRITE(gbd) == level) return 0; GB_PUT_SECURITY_WRITE(gbd,level); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); return 0; } GB_ERROR GB_write_security_read(GBDATA *gbd,unsigned long level) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_TEST_TRANSACTION(gbd); if (GB_GET_SECURITY_WRITE(gbd)>Main->security_level) return gb_security_error(gbd); if (GB_GET_SECURITY_READ(gbd) == level) return 0; GB_PUT_SECURITY_READ(gbd,level); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); return 0; } GB_ERROR GB_write_security_delete(GBDATA *gbd,unsigned long level) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_TEST_TRANSACTION(gbd); if (GB_GET_SECURITY_WRITE(gbd)>Main->security_level) return gb_security_error(gbd); if (GB_GET_SECURITY_DELETE(gbd) == level) return 0; GB_PUT_SECURITY_DELETE(gbd,level); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); return 0; } GB_ERROR GB_write_security_levels(GBDATA *gbd,unsigned long readlevel,unsigned long writelevel,unsigned long deletelevel) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_TEST_TRANSACTION(gbd); if (GB_GET_SECURITY_WRITE(gbd)>Main->security_level) return gb_security_error(gbd); GB_PUT_SECURITY_WRITE(gbd,writelevel); GB_PUT_SECURITY_READ(gbd,readlevel); GB_PUT_SECURITY_DELETE(gbd,deletelevel); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); return 0; } GB_ERROR GB_change_my_security(GBDATA *gbd,int level,const char *passwd) { int i; i = level; if (i<0) i=0; if (i>=8) i = 7; GB_MAIN(gbd)->security_level = i; passwd = passwd; /*dummy for compiler */ return 0; } /* For internal use only */ void GB_push_my_security(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); Main->pushed_security_level++; if (Main->pushed_security_level <= 1) { Main->old_security_level = Main->security_level; Main->security_level = 7; } } void GB_pop_my_security(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); Main->pushed_security_level--; if (Main->pushed_security_level <= 0) { Main->security_level = Main->old_security_level; } } GB_TYPES GB_read_type(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); return (GB_TYPES)GB_TYPE(gbd); } char *GB_read_key(GBDATA *gbd) { return strdup(GB_read_key_pntr(gbd)); } GB_CSTR GB_read_key_pntr(GBDATA *gbd) { GB_CSTR k; GB_TEST_TRANSACTION(gbd); k = GB_KEY(gbd); if (!k) k = GBS_global_string("", GB_KEY_QUARK(gbd)); return k; } GB_CSTR gb_read_key_pntr(GBDATA *gbd){ return GB_KEY(gbd); } GBQUARK GB_key_2_quark(GBDATA *gbd, const char *s) { long index; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (!s) return -1; index = GBS_read_hash(Main->key_2_index_hash,s); if (!index) { /* create new index */ index = gb_create_key(Main,s,GB_TRUE); } return (GBQUARK)index; } GBQUARK GB_get_quark(GBDATA *gbd) { return GB_KEY_QUARK(gbd); } GB_BOOL GB_has_key(GBDATA *gbd, const char *key) { GBQUARK quark = GB_key_2_quark(gbd, key); return (quark == GB_get_quark(gbd)); } GBQUARK gb_key_2_quark(GB_MAIN_TYPE *Main, const char *s) { long index; if (!s) return 0; index = GBS_read_hash(Main->key_2_index_hash,s); if (!index) { /* create new index */ index = gb_create_key(Main,s,GB_TRUE); } return (GBQUARK)index; } long GB_read_clock(GBDATA *gbd) { if (GB_ARRAY_FLAGS(gbd).changed) return GB_MAIN(gbd)->clock; return GB_GET_EXT_UPDATE_DATE(gbd); } long GB_read_transaction(GBDATA *gbd) { return GB_MAIN(gbd)->transaction; } /******************************************************************************************** Get and check the database hierarchy ********************************************************************************************/ GBDATA *GB_get_father(GBDATA *gbd) { /* Get the father of an entry */ GBDATA *father; GB_TEST_TRANSACTION(gbd); if (!(father=(GBDATA*)GB_FATHER(gbd))) return NULL; if (!GB_FATHER(father)) return NULL; return father; } GBDATA *GB_get_grandfather(GBDATA *gbd) { GBDATA *gb_grandpa; GB_TEST_TRANSACTION(gbd); gb_grandpa = (GBDATA*)GB_FATHER(gbd); if (gb_grandpa) { gb_grandpa = (GBDATA*)GB_FATHER(gb_grandpa); if (gb_grandpa && !GB_FATHER(gb_grandpa)) { gb_grandpa = 0; } } return gb_grandpa; } GBDATA *GB_get_root(GBDATA *gbd) { /* Get the root entry (gb_main) */ return (GBDATA *)GB_MAIN(gbd)->data; } GB_BOOL GB_check_father(GBDATA *gbd, GBDATA *gb_maybefather) { /* Test whether an entry is a subentry of another */ GBDATA *gbfather; for (gbfather = GB_get_father(gbd); gbfather; gbfather = GB_get_father(gbfather)) { if (gbfather == gb_maybefather) return GB_TRUE; } return GB_FALSE; } GBDATA *gb_create(GBDATA *father,const char *key, GB_TYPES type){ GBDATA *gbd = gb_make_entry((GBCONTAINER *)father, key, -1,0,type); gb_touch_header(GB_FATHER(gbd)); gb_touch_entry(gbd,gb_created); return (GBDATA *)gbd; } /* Create a container, do not check anything */ GBDATA *gb_create_container(GBDATA *father, const char *key){ GBCONTAINER *gbd = gb_make_container((GBCONTAINER *)father,key, -1, 0); gb_touch_header(GB_FATHER(gbd)); gb_touch_entry((GBDATA *)gbd,gb_created); return (GBDATA *)gbd; } void gb_rename(GBCONTAINER *gbc, const char *new_key) { gb_rename_entry(gbc, new_key); } /* User accessible rename, check everything * returns 0 if successful! */ int GB_rename(GBDATA *gbc, const char *new_key) { GBCONTAINER *old_father, *new_father; if (GB_check_key(new_key)) { GB_print_error(); return -1; } GB_TEST_TRANSACTION(gbc); old_father = GB_FATHER(gbc); if (GB_TYPE(gbc) != GB_DB) { GB_internal_error("GB_rename has to be called with container"); return -1; } gb_rename((GBCONTAINER*)gbc, new_key); new_father = GB_FATHER(gbc); if (old_father != new_father) { GB_internal_error("father changed during rename"); return -1; } gb_touch_header(new_father); gb_touch_entry(gbc, gb_changed); return 0; } /* User accessible create, check everything */ GBDATA *GB_create(GBDATA *father,const char *key, GB_TYPES type) { GBDATA *gbd; if (GB_check_key(key)) { GB_print_error(); return NULL; } if (type == GB_DB) { gb_assert(type != GB_DB); // you like to use GB_create_container! GB_export_error("GB_create error: can't create containers"); return NULL; } /* now checked by GB_check_key */ /* if ( (*key == '\0')) { */ /* GB_export_error("GB_create error: empty key"); */ /* return NULL; */ /* } */ if ( !father ) { GB_internal_errorf("GB_create error in GB_create:\nno father (key = '%s')",key); return NULL; } GB_TEST_TRANSACTION(father); if ( GB_TYPE(father)!=GB_DB) { GB_export_errorf("GB_create: father (%s) is not of GB_DB type (%i) (creating '%s')", GB_read_key_pntr(father),GB_TYPE(father),key); return NULL; }; if (type == GB_POINTER) { if (!GB_in_temporary_branch(father)) { GB_export_error("GB_create: pointers only allowed in temporary branches"); return NULL; } } gbd = gb_make_entry((GBCONTAINER *)father, key, -1,0,type); gb_touch_header(GB_FATHER(gbd)); gb_touch_entry(gbd,gb_created); gb_assert(GB_ARRAY_FLAGS(gbd).changed < gb_deleted); // happens sometimes -> needs debugging return gbd; } GBDATA *GB_create_container(GBDATA *father,const char *key) { /* create a new container */ GBCONTAINER *gbd; if (GB_check_key(key)) { GB_print_error(); return NULL; } if ( (*key == '\0')) { GB_export_error("GB_create error: empty key"); return NULL; } if ( !father ) { GB_internal_errorf("GB_create error in GB_create:\nno father (key = '%s')",key); return NULL; } GB_TEST_TRANSACTION(father); if ( GB_TYPE(father)!=GB_DB) { GB_export_errorf("GB_create: father (%s) is not of GB_DB type (%i) (creating '%s')", GB_read_key_pntr(father),GB_TYPE(father),key); return NULL; }; gbd = gb_make_container((GBCONTAINER *)father,key, -1, 0); gb_touch_header(GB_FATHER(gbd)); gb_touch_entry((GBDATA *)gbd,gb_created); return (GBDATA *)gbd; } #if defined(DEVEL_RALF) #warning change param for GB_delete to GBDATA ** #endif /* DEVEL_RALF */ GB_ERROR GB_delete(GBDATA *source) { GBDATA *gb_main; GB_TEST_TRANSACTION(source); if (GB_GET_SECURITY_DELETE(source)>GB_MAIN(source)->security_level) { return GB_export_errorf("Security error in GB_delete: %s",GB_read_key_pntr(source)); } gb_main = GB_get_root(source); if (source->flags.compressed_data) { GB_set_compression(gb_main, 0); /* disable compression */ gb_set_compression(source); /* write data w/o compression (otherwise GB_read_old_value... won't work) */ GB_set_compression(gb_main, -1); /* allow all types of compressions */ } { GB_MAIN_TYPE *Main = GB_MAIN(source); if (Main->transaction<0){ gb_delete_entry(&source); gb_do_callback_list(Main); } else { gb_touch_entry(source,gb_deleted); } } return 0; } /* int GB_entry_is_deleted(GBDATA *gb_entry) { */ /* GBCONTAINER *father = gb_entry ? GB_FATHER(gb_entry) : 0; */ /* GB_MAIN_TYPE *Main = father ? GB_MAIN(gb_entry) : 0; */ /* int legal_entry = (father != 0) && (Main != 0); */ /* return !legal_entry; */ /* } */ GB_ERROR gb_delete_force(GBDATA *source) /* delete always */ { gb_touch_entry(source,gb_deleted); return 0; } /******************************************************************************************** Copy Data ********************************************************************************************/ #if defined(DEVEL_RALF) #warning replace GB_copy with GB_copy_with_protection after release #endif /* DEVEL_RALF */ GB_ERROR GB_copy(GBDATA *dest, GBDATA *source) { return GB_copy_with_protection(dest, source, GB_FALSE); } GB_ERROR GB_copy_with_protection(GBDATA *dest, GBDATA *source, GB_BOOL copy_all_protections) { GB_TYPES type; GB_ERROR error = 0; GBDATA *gb_p; GBDATA *gb_d; GBCONTAINER *destc,*sourcec; const char *key; GB_TEST_TRANSACTION(source); type = GB_TYPE(source); if (GB_TYPE(dest) != type) { return GB_export_errorf("incompatible types in GB_copy (source %s:%u != %s:%u", GB_read_key_pntr(source), type, GB_read_key_pntr(dest), GB_TYPE(dest)); } switch (type) { case GB_INT: error = GB_write_int(dest,GB_read_int(source)); break; case GB_FLOAT: error = GB_write_float(dest,GB_read_float(source)); break; case GB_BYTE: error = GB_write_byte(dest,GB_read_byte(source)); break; case GB_STRING: /* No local compression */ error = GB_write_string(dest,GB_read_char_pntr(source)); break; case GB_LINK: /* No local compression */ error = GB_write_link(dest,GB_read_link_pntr(source)); break; case GB_BITS: /* only local compressions for the following types */ case GB_BYTES: case GB_INTS: case GB_FLOATS: gb_save_extern_data_in_ts(dest); GB_SETSMDMALLOC(dest, GB_GETSIZE(source), GB_GETMEMSIZE(source), GB_GETDATA(source)); dest->flags.compressed_data = source->flags.compressed_data; break; case GB_DB: destc = (GBCONTAINER *)dest; sourcec = (GBCONTAINER *)source; if (GB_TYPE(destc) != GB_DB) { GB_ERROR err = GB_export_errorf("GB_COPY Type conflict %s:%i != %s:%i", GB_read_key_pntr(dest), GB_TYPE(dest), GB_read_key_pntr(source), GB_DB); GB_internal_error(err); return err; } if (source->flags2.folded_container) gb_unfold((GBCONTAINER *)source,-1,-1); if (dest->flags2.folded_container) gb_unfold((GBCONTAINER *)dest,0,-1); for (gb_p = GB_child(source); gb_p; gb_p = GB_nextChild(gb_p)) { GB_TYPES type2 = (GB_TYPES)GB_TYPE(gb_p); key = GB_read_key_pntr(gb_p); if (type2 == GB_DB) { gb_d = GB_create_container(dest,key); gb_create_header_array((GBCONTAINER *)gb_d, ((GBCONTAINER *)gb_p)->d.size); } else { gb_d = GB_create(dest,key,type2); } if (!gb_d) error = GB_await_error(); else error = GB_copy_with_protection(gb_d, gb_p, copy_all_protections); if (error) break; } destc->flags3 = sourcec->flags3; break; default: error = GB_export_error("GB_copy error unknown type"); } if (error) return error; gb_touch_entry(dest,gb_changed); dest->flags.security_read = source->flags.security_read; if (copy_all_protections == GB_TRUE) { dest->flags.security_write = source->flags.security_write; dest->flags.security_delete = source->flags.security_delete; } return 0; } /******************************************************************************************** Get all subfield names ********************************************************************************************/ static char *gb_stpcpy(char *dest, const char *source) { while ((*dest++=*source++)) ; return dest-1; /* return pointer to last copied character (which is \0) */ } char* GB_get_subfields(GBDATA *gbd) { long type; char *result = 0; GB_TEST_TRANSACTION(gbd); type = GB_TYPE(gbd); if (type==GB_DB) { /* we are a container */ GBCONTAINER *gbc = (GBCONTAINER*)gbd; GBDATA *gbp; int result_length = 0; if (gbc->flags2.folded_container) { gb_unfold(gbc, -1, -1); } for (gbp = GB_child(gbd); gbp; gbp = GB_nextChild(gbp)) { const char *key = GB_read_key_pntr(gbp); int keylen = strlen(key); if (result) { char *neu_result = (char*)malloc(result_length+keylen+1+1); if (neu_result) { char *p = gb_stpcpy(neu_result, result); p = gb_stpcpy(p, key); *p++ = ';'; p[0] = 0; freeset(result, neu_result); result_length += keylen+1; } else { gb_assert(0); } } else { result = (char*)malloc(1+keylen+1+1); result[0] = ';'; strcpy(result+1, key); result[keylen+1] = ';'; result[keylen+2] = 0; result_length = keylen+2; } } } else { result = strdup(";"); } return result; } /******************************************************************************************** Copy Data ********************************************************************************************/ GB_ERROR gb_set_compression(GBDATA *source) { long type; GB_ERROR error = 0; GBDATA *gb_p; char *string; GB_TEST_TRANSACTION(source); type = GB_TYPE(source); switch (type) { case GB_STRING: string = GB_read_string(source); GB_write_string(source,""); GB_write_string(source,string); free(string); break; case GB_BITS: case GB_BYTES: case GB_INTS: case GB_FLOATS: break; case GB_DB: for (gb_p = GB_child(source); gb_p; gb_p = GB_nextChild(gb_p)) { error = gb_set_compression(gb_p); if (error) break; } break; default: break; } if (error) return error; return 0; } GB_ERROR GB_set_compression(GBDATA *gb_main, GB_COMPRESSION_MASK disable_compression){ GB_MAIN_TYPE *Main = GB_MAIN(gb_main); GB_ERROR error = 0; if (Main->compression_mask == disable_compression) return 0; Main->compression_mask = disable_compression; #if 0 GB_push_my_security(gb_main); error = gb_set_compression(gb_main); GB_pop_my_security(gb_main); #endif return error; } /******************************************************************************************** TEMPORARY ********************************************************************************************/ /** if the temporary flag is set, then that entry (including all subentries) will not be saved*/ GB_ERROR GB_set_temporary(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); if (GB_GET_SECURITY_DELETE(gbd)>GB_MAIN(gbd)->security_level) return GB_export_errorf("Security error in GB_set_temporary: %s",GB_read_key_pntr(gbd)); gbd->flags.temporary = 1; gb_touch_entry(gbd,gb_changed); return 0; } /** enable save */ GB_ERROR GB_clear_temporary(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); gbd->flags.temporary = 0; gb_touch_entry(gbd,gb_changed); return 0; } GB_BOOL GB_is_temporary(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); return (long)gbd->flags.temporary; } GB_BOOL GB_in_temporary_branch(GBDATA *gbd) { // returns true, if 'gbd' is member of a temporary subtree if (GB_is_temporary(gbd)) return GB_TRUE; GBDATA *gb_parent = GB_get_father(gbd); if (!gb_parent) return GB_FALSE; return GB_in_temporary_branch(gb_parent); } /******************************************************************************************** TRANSACTIONS ********************************************************************************************/ GB_ERROR GB_push_local_transaction(GBDATA *gbd) { /* Starts a read only transaction !!; be sure that all data is cached be extremely careful !!!!! */ GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->transaction>0) { return GB_push_transaction(gbd); } Main->transaction --; return 0; } GB_ERROR GB_pop_local_transaction(GBDATA *gbd) { /* Stops a read only transaction !!; be sure that all data is cached !!!!! */ GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->transaction>0){ return GB_pop_transaction(gbd); } Main->transaction ++; return 0; } /* * recommended transaction usage: * ------------------------------ * * GB_ERROR myFunc() { * GB_ERROR error = GB_push_transaction(gbd); * if (!error) { * error = ...; * } * return GB_end_transaction(gbd, error); * } * * void myFunc() { * GB_ERROR error = GB_push_transaction(gbd); * if (!error) { * error = ...; * } * GB_end_transaction_show_error(gbd, error, aw_message); * } */ GB_ERROR GB_push_transaction(GBDATA *gbd){ /* start a transaction if no transaction is running */ GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_ERROR error = 0; if (Main->transaction == 0) error = GB_begin_transaction(gbd); else if (Main->transaction>0) Main->transaction++; // Main->transaction<0 is "no transaction mode" return error; } GB_ERROR GB_pop_transaction(GBDATA *gbd) { GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (Main->transaction==0) { error = GB_export_error("Pop without push"); GB_internal_error(error); return error; } if (Main->transaction<0) return 0; /* no transaction mode */ if (Main->transaction==1){ return GB_commit_transaction(gbd); }else{ Main->transaction--; } return 0; } GB_ERROR GB_begin_transaction(GBDATA *gbd) { // better use GB_push_transaction() GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); gbd = (GBDATA *)Main->data; if (Main->transaction>0) { error = GB_export_errorf("GB_begin_transaction called %i !!!", Main->transaction); GB_internal_error(error); return GB_push_transaction(gbd); } if (Main->transaction<0) return 0; Main->transaction = 1; Main->aborted_transaction = 0; if (!Main->local_mode){ error = gbcmc_begin_transaction(gbd); if (error) return error; error = gb_commit_transaction_local_rek(gbd,0,0); /* init structures */ gb_untouch_children((GBCONTAINER *)gbd); gb_untouch_me(gbd); if (error) return error; } /* do all callbacks * cb that change the db are no problem, because it's the beginning of a ta */ gb_do_callback_list(Main); Main->clock ++; return 0; } GB_ERROR gb_init_transaction(GBCONTAINER *gbd) /* the first transaction ever */ { GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_ERROR error; Main->transaction = 1; error = gbcmc_init_transaction(Main->data); if (!error) Main->clock ++; return error; } GB_ERROR GB_no_transaction(GBDATA *gbd) { GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); if (!Main->local_mode) { error = GB_export_error("Tried to disable transactions in a client"); GB_internal_error(error); return 0; } Main->transaction = -1; return 0; } GB_ERROR GB_abort_transaction(GBDATA *gbd) { GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); gbd = (GBDATA *)Main->data; if (Main->transaction<=0) { GB_internal_error("No running Transaction"); return GB_export_error("GB_abort_transaction: No running Transaction"); } if (Main->transaction>1) { Main->aborted_transaction = 1; return GB_pop_transaction(gbd); } gb_abort_transaction_local_rek(gbd,0); if (!Main->local_mode){ error = gbcmc_abort_transaction(gbd); if (error) return error; } Main->clock--; gb_do_callback_list(Main); /* do all callbacks */ Main->transaction = 0; gb_untouch_children((GBCONTAINER *)gbd); gb_untouch_me(gbd); return 0; } GB_ERROR GB_commit_transaction(GBDATA *gbd) { GB_ERROR error = 0; GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_CHANGED flag; gbd = (GBDATA *)Main->data; if (!Main->transaction) { error = GB_export_error("GB_commit_transaction: No running Transaction"); GB_internal_error(error); return error; } if (Main->transaction>1){ GB_internal_error("Running GB_commit_transaction not at root transaction level"); return GB_pop_transaction(gbd); } if (Main->aborted_transaction) { Main->aborted_transaction = 0; return GB_abort_transaction(gbd); } if (Main->local_mode) { char *error1 = gb_set_undo_sync(gbd); while(1){ flag = (GB_CHANGED)GB_ARRAY_FLAGS(gbd).changed; if (!flag) break; /* nothing to do */ error = gb_commit_transaction_local_rek(gbd,0,0); gb_untouch_children((GBCONTAINER *)gbd); gb_untouch_me(gbd); if (error) break; gb_do_callback_list(Main); /* do all callbacks */ } gb_disable_undo(gbd); if(error1){ Main->transaction = 0; return error; } }else{ gb_disable_undo(gbd); while(1){ flag = (GB_CHANGED)GB_ARRAY_FLAGS(gbd).changed; if (!flag) break; /* nothing to do */ error = gbcmc_begin_sendupdate(gbd); if (error) break; error = gb_commit_transaction_local_rek(gbd,1,0); if (error) break; error = gbcmc_end_sendupdate(gbd); if (error) break; gb_untouch_children((GBCONTAINER *)gbd); gb_untouch_me(gbd); gb_do_callback_list(Main); /* do all callbacks */ } if (!error) error = gbcmc_commit_transaction(gbd); } Main->transaction = 0; if (error) return error; return 0; } GB_ERROR GB_end_transaction(GBDATA *gbd, GB_ERROR error) { if (error) GB_abort_transaction(gbd); else error = GB_pop_transaction(gbd); return error; } void GB_end_transaction_show_error(GBDATA *gbd, GB_ERROR error, void (*error_handler)(GB_ERROR)) { error = GB_end_transaction(gbd, error); if (error) error_handler(error); } int GB_get_transaction_level(GBDATA *gbd) { GB_MAIN_TYPE *Main = GB_MAIN(gbd); return Main->transaction; } /******************************************************************************************** Send updated data to server (for GB_release) ********************************************************************************************/ GB_ERROR GB_update_server(GBDATA *gbd) { GB_ERROR error; GB_MAIN_TYPE *Main = GB_MAIN(gbd); GBDATA *gb_main = (GBDATA *)Main->data; struct gb_callback_list *cbl_old = Main->cbl_last; if (!Main->transaction) { error = GB_export_error("GB_update_server: No running Transaction"); GB_internal_error(error); return error; } if (Main->local_mode){ return GB_export_error("You cannot update the server as you are the server yourself"); } error = gbcmc_begin_sendupdate(gb_main); if (error) return error; error = gb_commit_transaction_local_rek(gbd,2,0); if (error) return error; error = gbcmc_end_sendupdate(gb_main); if (error) return error; if (cbl_old != Main->cbl_last){ GB_internal_error("GB_update_server produced a callback, this is not allowed"); } /* gb_do_callback_list(gbd); do all callbacks */ return 0; } /******************************************************************************************** CALLBACKS ********************************************************************************************/ GB_ERROR gb_add_changed_callback_list(GBDATA *gbd,struct gb_transaction_save *old, GB_CB_TYPE gbtype, GB_CB func, int *clientdata) { struct gb_callback_list *cbl; GB_MAIN_TYPE *Main = GB_MAIN(gbd); cbl = (struct gb_callback_list *)gbm_get_mem(sizeof(struct gb_callback_list),GBM_CB_INDEX); if (Main->cbl){ Main->cbl_last->next = cbl; }else{ Main->cbl = cbl; } Main->cbl_last = cbl; cbl->clientdata = clientdata; cbl->func = func; cbl->gbd = gbd; cbl->type = gbtype; gb_add_ref_gb_transaction_save(old); cbl->old = old; return 0; } GB_ERROR gb_add_delete_callback_list(GBDATA *gbd,struct gb_transaction_save *old, GB_CB func, int *clientdata) { struct gb_callback_list *cbl; GB_MAIN_TYPE *Main = GB_MAIN(gbd); cbl = (struct gb_callback_list *)gbm_get_mem(sizeof(struct gb_callback_list),GBM_CB_INDEX); if (Main->cbld){ Main->cbld_last->next = cbl; }else{ Main->cbld = cbl; } Main->cbld_last = cbl; cbl->clientdata = clientdata; cbl->func = func; cbl->gbd = gbd; cbl->type = GB_CB_DELETE; if (old) gb_add_ref_gb_transaction_save(old); cbl->old = old; return 0; } static struct gb_callback_list *g_b_old_callback_list = NULL; // points to callback during callback (NULL otherwise) static GB_MAIN_TYPE *g_b_old_main = NULL; // points to DB root during callback (NULL otherwise) GB_ERROR gb_do_callback_list(GB_MAIN_TYPE *Main) { struct gb_callback_list *cbl,*cbl_next; g_b_old_main = Main; /* first all delete callbacks: */ for (cbl = Main->cbld; cbl ; cbl = cbl_next){ g_b_old_callback_list = cbl; cbl->func(cbl->gbd,cbl->clientdata, GB_CB_DELETE); cbl_next = cbl->next; g_b_old_callback_list = NULL; gb_del_ref_gb_transaction_save(cbl->old); gbm_free_mem((char *)cbl,sizeof(struct gb_callback_list),GBM_CB_INDEX); } Main->cbld_last = NULL; Main->cbld = NULL; /* then all update callbacks: */ for (cbl = Main->cbl; cbl ; cbl = cbl_next){ g_b_old_callback_list = cbl; cbl->func(cbl->gbd,cbl->clientdata, cbl->type); cbl_next = cbl->next; g_b_old_callback_list = NULL; gb_del_ref_gb_transaction_save(cbl->old); gbm_free_mem((char *)cbl,sizeof(struct gb_callback_list),GBM_CB_INDEX); } g_b_old_main = NULL; Main->cbl_last = NULL; Main->cbl = NULL; return 0; } GB_MAIN_TYPE *gb_get_main_during_cb() { /* if inside a callback, return the DB root of the DB element, the callback was called for. * if not inside a callback, return NULL. */ return g_b_old_main; } NOT4PERL GB_BOOL GB_inside_callback(GBDATA *of_gbd, enum gb_call_back_type cbtype) { GB_MAIN_TYPE *Main = gb_get_main_during_cb(); GB_BOOL inside = GB_FALSE; if (Main) { // inside a callback gb_assert(g_b_old_callback_list); if (g_b_old_callback_list->gbd == of_gbd) { GB_CB_TYPE curr_cbtype; if (Main->cbld) { // delete callbacks were not all performed yet // -> current callback is a delete callback curr_cbtype = g_b_old_callback_list->type & GB_CB_DELETE; } else { gb_assert(Main->cbl); // change callback curr_cbtype = g_b_old_callback_list->type & (GB_CB_ALL-GB_CB_DELETE); } gb_assert(curr_cbtype != GB_CB_NONE); // wtf!? are we inside callback or not? if ((cbtype&curr_cbtype) != GB_CB_NONE) { inside = GB_TRUE; } } } return inside; } GBDATA *GB_get_gb_main_during_cb() { GBDATA *gb_main = NULL; GB_MAIN_TYPE *Main = gb_get_main_during_cb(); if (Main) { // inside callback if (!GB_inside_callback((GBDATA*)Main->data, GB_CB_DELETE)) { // main is not deleted gb_main = (GBDATA*)Main->data; } } return gb_main; } GB_CSTR gb_read_pntr_ts(GBDATA *gbd, struct gb_transaction_save *ts){ int type = GB_TYPE_TS(ts); const char *data = GB_GETDATA_TS(ts); if (data) { if (ts->flags.compressed_data) { /* uncompressed data return pntr to database entry */ long size = GB_GETSIZE_TS(ts) * gb_convert_type_2_sizeof[type] + gb_convert_type_2_appendix_size[type]; data = gb_uncompress_data(gbd,data,size); } } return data; } /* get last array value in callbacks */ NOT4PERL const void *GB_read_old_value(){ char *data; if (!g_b_old_callback_list) { GB_export_error("You cannot call GB_read_old_value outside a ARBDB callback"); return NULL; } if (!g_b_old_callback_list->old) { GB_export_error("No old value available in GB_read_old_value"); return NULL; } data = GB_GETDATA_TS(g_b_old_callback_list->old); if (!data) return NULL; return gb_read_pntr_ts(g_b_old_callback_list->gbd, g_b_old_callback_list->old); } /* same for size */ long GB_read_old_size(){ if (!g_b_old_callback_list) { GB_export_error("You cannot call GB_read_old_size outside a ARBDB callback"); return -1; } if (!g_b_old_callback_list->old) { GB_export_error("No old value available in GB_read_old_size"); return -1; } return GB_GETSIZE_TS(g_b_old_callback_list->old); } /******************************************************************************************** CALLBACKS ********************************************************************************************/ char *GB_get_callback_info(GBDATA *gbd) { /* returns human-readable information about callbacks of 'gbd' or 0 */ char *result = 0; if (gbd->ext) { struct gb_callback *cb = gbd->ext->callback; while (cb) { char *cb_info = GBS_global_string_copy("func=%p type=%i clientdata=%p priority=%i", (void*)cb->func, cb->type, cb->clientdata, cb->priority); if (result) { char *new_result = GBS_global_string_copy("%s\n%s", result, cb_info); free(result); free(cb_info); result = new_result; } else { result = cb_info; } cb = cb->next; } } return result; } GB_ERROR GB_add_priority_callback(GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata, int priority) { /* Adds a callback to a DB entry. * * Callbacks with smaller priority values get executed before bigger priority values. * * Be careful when writing GB_CB_DELETE callbacks, there is a severe restriction: * * - the DB element may already be freed. The pointer is still pointing to the original * location, so you can use it to identify the DB element, but you cannot dereference * it under all circumstances. * * ARBDB internal delete-callbacks may use gb_get_main_during_cb() to access the DB root. * See also: GB_get_gb_main_during_cb() */ struct gb_callback *cb; #if defined(DEBUG) if (GB_inside_callback(gbd, GB_CB_DELETE)) { printf("Warning: GB_add_priority_callback called inside delete-callback of gbd (gbd may already be freed)\n"); #if defined(DEVEL_RALF) gb_assert(0); // fix callback-handling (never modify callbacks from inside delete callbacks) #endif /* DEVEL_RALF */ } #endif /* DEBUG */ GB_TEST_TRANSACTION(gbd); // may return error GB_CREATE_EXT(gbd); cb = (struct gb_callback *)gbm_get_mem(sizeof(struct gb_callback),GB_GBM_INDEX(gbd)); if (gbd->ext->callback) { struct gb_callback *prev = 0; struct gb_callback *curr = gbd->ext->callback; while (curr) { if (priority <= curr->priority) { // wanted priority is lower -> insert here break; } #if defined(DEVEL_RALF) // test if callback already was added (every callback shall only exist once). see below. gb_assert((curr->func != func) || (curr->clientdata != clientdata) || (curr->type != type )); #endif /* DEVEL_RALF */ prev = curr; curr = curr->next; } if (prev) { prev->next = cb; } else { gbd->ext->callback = cb; } cb->next = curr; } else { cb->next = 0; gbd->ext->callback = cb; } cb->type = type; cb->clientdata = clientdata; cb->func = func; cb->priority = priority; #if defined(DEVEL_RALF) #if defined(DEBUG) // test if callback already was added (every callback shall only exist once) // maybe you like to use GB_ensure_callback instead of GB_add_callback while (cb->next) { cb = cb->next; gb_assert((cb->func != func) || (cb->clientdata != clientdata) || (cb->type != type )); } #endif /* DEBUG */ #endif /* DEVEL_RALF */ return 0; } GB_ERROR GB_add_callback(GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata) { return GB_add_priority_callback(gbd, type, func, clientdata, 5); // use default priority 5 } static void gb_remove_callback(GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata, GB_BOOL cd_should_match) { GB_BOOL removed = GB_FALSE; GB_BOOL exactly_one = cd_should_match; // remove exactly one callback #if defined(DEBUG) if (GB_inside_callback(gbd, GB_CB_DELETE)) { printf("Warning: gb_remove_callback called inside delete-callback of gbd (gbd may already be freed)\n"); #if defined(DEVEL_RALF) gb_assert(0); // fix callback-handling (never modify callbacks from inside delete callbacks) #endif /* DEVEL_RALF */ } #endif /* DEBUG */ if (gbd->ext) { struct gb_callback **cb_ptr = &gbd->ext->callback; struct gb_callback *cb; short prev_running = 0; for (cb = *cb_ptr; cb; cb = *cb_ptr) { short this_running = cb->running; if ((cb->func == func) && (cb->type == type ) && (cb->clientdata == clientdata || !cd_should_match)) { if (prev_running || cb->running) { // if the previous callback in list or the callback itself is running (in "no transaction mode") // the callback cannot be removed (see gb_do_callbacks) GBK_terminate("gb_remove_callback: tried to remove currently running callback"); } *cb_ptr = cb->next; gbm_free_mem((char *)cb,sizeof(struct gb_callback),GB_GBM_INDEX(gbd)); removed = GB_TRUE; if (exactly_one) break; } else { cb_ptr = &cb->next; } prev_running = this_running; } } } void GB_remove_callback(GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata) { // remove specific callback (type, func and clientdata must match) gb_remove_callback(gbd, type, func, clientdata, GB_TRUE); } void GB_remove_all_callbacks_to(GBDATA *gbd, enum gb_call_back_type type, GB_CB func) { // removes all callbacks 'func' bound to 'gbd' with 'type' gb_remove_callback(gbd, type, func, 0, GB_FALSE); } GB_ERROR GB_ensure_callback(GBDATA *gbd, enum gb_call_back_type type, GB_CB func, int *clientdata) { struct gb_callback *cb; for (cb = GB_GET_EXT_CALLBACKS(gbd); cb; cb = cb->next) { if ((cb->func == func) && (cb->clientdata == clientdata) && (cb->type == type )) { return NULL; /* already in cb list */ } } return GB_add_callback(gbd,type,func,clientdata); } /******************************************************************************************** RELEASE free cached data in a client, no pointers in the freed region are allowed ********************************************************************************************/ GB_ERROR GB_release(GBDATA *gbd){ GBCONTAINER *gbc; GBDATA *gb; int index; GB_MAIN_TYPE *Main = GB_MAIN(gbd); GB_TEST_TRANSACTION(gbd); if (Main->local_mode) return 0; if (GB_ARRAY_FLAGS(gbd).changed &&!gbd->flags2.update_in_server) { GB_update_server(gbd); } if (GB_TYPE(gbd) != GB_DB) { GB_ERROR error = GB_export_errorf("You cannot release non container (%s)", GB_read_key_pntr(gbd)); GB_internal_error(error); return error; } if (gbd->flags2.folded_container) return 0; gbc = (GBCONTAINER *)gbd; for (index = 0; index < gbc->d.nheader; index++) { if ( (gb = GBCONTAINER_ELEM(gbc,index)) ) { gb_delete_entry(&gb); } } gbc->flags2.folded_container = 1; gb_do_callback_list(Main); /* do all callbacks */ return 0; } /******************************************************************************************** test local test whether data is available in local data !!! important for callbacks, because only testlocal tested data is available ********************************************************************************************/ int GB_testlocal(GBDATA *gbd) { if (GB_TYPE(gbd) != GB_DB) { return 1; /* all non containers are available */ } if (GB_MAIN(gbd)->local_mode) return 1; if (gbd->flags2.folded_container) return 0; return 1; } /******************************************************************************************** some information about sons ********************************************************************************************/ int GB_nsons(GBDATA *gbd) { if (GB_TYPE(gbd) != GB_DB) { return 0; /* all non containers are available */ } return ((GBCONTAINER *)gbd)->d.size; } void GB_disable_quicksave(GBDATA *gbd,const char *reason) { freedup(GB_MAIN(gbd)->qs.quick_save_disabled, reason); } /******************************************************************************************** Resort data base ********************************************************************************************/ GB_ERROR GB_resort_data_base(GBDATA *gb_main, GBDATA **new_order_list, long listsize) { long new_index; GBCONTAINER *father; struct gb_header_list_struct *hl, h; if (GB_read_clients(gb_main)<0) return GB_export_error("Sorry: this program is not the arbdb server, you cannot resort your data"); if (GB_read_clients(gb_main)>0) return GB_export_errorf("There are %li clients (editors, tree programs) connected to this server,\n" "please close clients and rerun operation", GB_read_clients(gb_main)); if (listsize <=0) return 0; father = GB_FATHER(new_order_list[0]); GB_disable_quicksave(gb_main,"some entries in the database got a new order"); hl = GB_DATA_LIST_HEADER(father->d); for (new_index= 0 ; new_index< listsize; new_index++ ) { long old_index = new_order_list[new_index]->index; if (old_index < new_index) GB_warningf("Warning at resort database: entry exists twice: %li and %li", old_index, new_index); else { GBDATA *ngb; GBDATA *ogb; ogb = GB_HEADER_LIST_GBD(hl[old_index]); ngb = GB_HEADER_LIST_GBD(hl[new_index]); h = hl[new_index]; hl[new_index] = hl[old_index]; hl[old_index] = h; /* Warning: Relative Pointers are incorrect !!! */ SET_GB_HEADER_LIST_GBD(hl[old_index], ngb ); SET_GB_HEADER_LIST_GBD(hl[new_index], ogb ); if ( ngb ) ngb->index = old_index; if ( ogb ) ogb->index = new_index; } } gb_touch_entry((GBDATA *)father,gb_changed); return 0; } GB_ERROR GB_resort_system_folder_to_top(GBDATA *gb_main){ GBDATA *gb_system = GB_entry(gb_main,GB_SYSTEM_FOLDER); GBDATA *gb_first = GB_child(gb_main); GBDATA **new_order_list; GB_ERROR error = 0; int i,len; if (GB_read_clients(gb_main)<0) return 0; /* we are not server */ if (!gb_system){ return GB_export_error("System databaseentry does not exist"); } if (gb_first == gb_system) return 0; len = GB_number_of_subentries(gb_main); new_order_list = (GBDATA **)GB_calloc(sizeof(GBDATA *),len); new_order_list[0] = gb_system; for (i=1;i GB_MAIN(gbd)->security_level) return gb_security_error(gbd); gbd->flags.user_flags = flags; gb_touch_entry(gbd,gb_changed); return 0; } long GB_read_usr_public(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); return (long)gbd->flags.user_flags; } /******************************************************************************************** private user access ********************************************************************************************/ long GB_read_usr_private(GBDATA *gbd) { GBCONTAINER *gbc = (GBCONTAINER *)gbd; if (GB_TYPE(gbc) != GB_DB) { GB_ERROR error = GB_export_errorf("GB_write_usr_private: not a container (%s)",GB_read_key_pntr(gbd)); GB_internal_error(error); return 0; } return gbc->flags2.usr_ref; } GB_ERROR GB_write_usr_private(GBDATA *gbd,long ref) { GBCONTAINER *gbc = (GBCONTAINER *)gbd; if (GB_TYPE(gbc) != GB_DB) { GB_ERROR error = GB_export_errorf("GB_write_usr_private: not a container (%s)",GB_read_key_pntr(gbd)); GB_internal_error(error); return 0; } gbc->flags2.usr_ref = ref; return 0; } /******************************************************************************************** flag access ********************************************************************************************/ GB_ERROR GB_write_flag(GBDATA *gbd,long flag) { GBCONTAINER *gbc = (GBCONTAINER *)gbd; int prev; int ubit = GB_MAIN(gbd)->users[0]->userbit; GB_TEST_TRANSACTION(gbd); prev = GB_ARRAY_FLAGS(gbc).flags; gbd->flags.saved_flags = prev; if (flag){ GB_ARRAY_FLAGS(gbc).flags |= ubit; }else{ GB_ARRAY_FLAGS(gbc).flags &= ~ubit; } if (prev != (int)GB_ARRAY_FLAGS(gbc).flags) { gb_touch_entry(gbd,gb_changed); gb_touch_header(GB_FATHER(gbd)); GB_DO_CALLBACKS(gbd); } return 0; } int GB_read_flag(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); if (GB_ARRAY_FLAGS(gbd).flags & GB_MAIN(gbd)->users[0]->userbit) return 1; else return 0; } /******************************************************************************************** touch entry ********************************************************************************************/ void GB_touch(GBDATA *gbd) { GB_TEST_TRANSACTION(gbd); gb_touch_entry(gbd,gb_changed); GB_DO_CALLBACKS(gbd); } /******************************************************************************************** debug data ********************************************************************************************/ void dump(const char *data, int size) { int x = 0; printf("\nDump %p (%i Byte):\n", data, size); while (size--) { const char *hex = "0123456789abcdef"; char c = *data++; printf("%c%c ", hex[(c&0xf0)>>4], hex[c&0x0f]); if (++x==32) { x = 0; printf("\n"); } } printf("\n"); } GB_ERROR GB_print_debug_information(void *dummy, GBDATA *gb_main){ int i; GB_MAIN_TYPE *Main = GB_MAIN( gb_main ); GB_push_transaction(gb_main); dummy = dummy; for (i=0;ikeycnt;i++) { if (Main->keys[i].key) { printf("%3i %20s nref %i\n", i, Main->keys[i].key, (int)Main->keys[i].nref); }else{ printf(" %3i unused key, next free key = %li\n", i, Main->keys[i].next_free_key); } } gbm_debug_mem(Main); GB_pop_transaction(gb_main); return 0; } int GB_info_deep = 15; int gb_info(GBDATA *gbd, int deep){ GBCONTAINER *gbc; GB_TYPES type; char *data; int size ; GB_MAIN_TYPE *Main; if (gbd==NULL) { printf("NULL\n"); return -1; } GB_push_transaction(gbd); type = (GB_TYPES)GB_TYPE(gbd); if (deep) { printf(" "); } printf("(GBDATA*)0x%lx (GBCONTAINER*)0x%lx ",(long)gbd,(long)gbd); if (gbd->rel_father==0) { printf("father=NULL\n"); return -1; } if (type==GB_DB) {gbc = (GBCONTAINER*) gbd; Main = GBCONTAINER_MAIN(gbc);} else {gbc = NULL; Main = GB_MAIN(gbd);} if (!Main) { printf("Oops - I have no main entry!!!\n"); return -1;} if (gbd==(GBDATA*)(Main->dummy_father)) { printf("dummy_father!\n"); return -1; } printf("%10s Type '%c' ", GB_read_key_pntr(gbd), GB_TYPE_2_CHAR[type]); switch(type) { case GB_DB: gbc = (GBCONTAINER *)gbd; size = gbc->d.size; printf("Size %i nheader %i hmemsize %i", gbc->d.size, gbc->d.nheader, gbc->d.headermemsize); printf(" father=(GBDATA*)0x%lx\n", (long)GB_FATHER(gbd)); if (size < GB_info_deep){ int index; struct gb_header_list_struct *header; header = GB_DATA_LIST_HEADER(gbc->d); for (index = 0; index < gbc->d.nheader; index++) { GBDATA *gb_sub = GB_HEADER_LIST_GBD(header[index]); printf("\t\t%10s (GBDATA*)0x%lx (GBCONTAINER*)0x%lx\n",Main->keys[header[index].flags.key_quark].key,(long)gb_sub,(long)gb_sub); } } break; default: data = GB_read_as_string(gbd); if (data) {printf("%s",data); free(data);} printf(" father=(GBDATA*)0x%lx\n", (long)GB_FATHER(gbd)); } GB_pop_transaction(gbd); return 0; } int GB_info(GBDATA *gbd) { return gb_info(gbd,0); } long GB_number_of_subentries(GBDATA *gbd) { long subentries = -1; if (GB_TYPE(gbd) == GB_DB) { GBCONTAINER *gbc = (GBCONTAINER*)gbd; if (GB_is_server(gbd)) { subentries = gbc->d.size; } else { /* client really needs to count entries in header */ int end = gbc->d.nheader; struct gb_header_list_struct *header = GB_DATA_LIST_HEADER(gbc->d); int index; subentries = 0; for (index = 0; index #endif #ifndef ARBDB_BASE_H #include #endif #ifndef ARB_ASSERT_H #include #endif #define gb_assert(bed) arb_assert(bed) #define NOT4PERL /* function definitions starting with NOT4PERL are not included into the ARB-perl-interface */ #define GB_PATH_MAX 1024 #define GBS_GLOBAL_STRING_SIZE 64000 #define GB_KEY_LEN_MAX 64 /* max. length of a key (a whole key path may be longer) */ #define GB_KEY_LEN_MIN 2 #define GBUSE(a) a=a typedef char *MALLOC_T; typedef unsigned long GB_ULONG; /* 4 Bytes */ typedef unsigned int GB_UINT4; typedef const unsigned int GB_CUINT4; typedef const float GB_CFLOAT; /* ---------------------------------------- need some stuff if adlocal.h is not included */ #ifndef ADLOCAL_H typedef void (*GB_CB)(GBDATA *,int *clientdata, GB_CB_TYPE gbtype); #if defined(DEBUG) #define MEMORY_TEST 1 #else #define MEMORY_TEST 0 #endif #if (MEMORY_TEST==1) typedef char *GB_REL_STRING; typedef struct gb_data_base_type *GB_REL_GBDATA; typedef struct gb_data_base_type2 *GB_REL_CONTAINER; #else typedef long GB_REL_STRING; /* relative address */ typedef long GB_REL_GBDATA; /* relative address */ typedef long GB_REL_CONTAINER; /* relative address */ #endif /*MEMORY_TEST==1*/ struct gb_main_type; typedef struct gb_main_type *GB_MAIN_TYPE; typedef struct gbs_hash_struct GB_HASH; typedef struct gbs_hashi_struct GB_HASHI; struct GBS_regex; struct GBS_string_matcher; typedef struct GBS_regex GBS_REGEX; typedef struct GBS_string_matcher GBS_MATCHER; struct gb_flag_types { /* public flags */ unsigned int type:4; unsigned int security_delete:3; unsigned int security_write:3; unsigned int security_read:3; unsigned int compressed_data: 1; unsigned int unused: 1; /* last bit saved */ unsigned int user_flags:8; unsigned int temporary:1; /* ==1 -> don't save entry */ unsigned int saved_flags:8; }; struct gb_flag_types2 { /* private flags */ unsigned int intern0: 16; unsigned int intern1: 16; }; /********************* public ******************/ struct GBS_strstruct; struct DictData; typedef int GBQUARK; /*********** Undo ***********/ typedef enum { GB_UNDO_NONE, /* no undo */ GB_UNDO_KILL, /* no undo and delete all old undos */ GB_UNDO_UNDO, /* normal undo -> deleted all redoes */ GB_UNDO_REDO, /* moves to UNDO_REDO */ GB_UNDO_UNDO_REDO /* internal makes undo redoable */ } GB_UNDO_TYPE; typedef enum { GB_IGNORE_CASE = 0 , GB_MIND_CASE = 1, GB_CASE_UNDEFINED = 2 } GB_CASE; struct gb_transaction_save; #endif /*ADLOCAL_H*/ // -------------------------------------------------------------------------------- typedef int GB_COMPRESSION_MASK; typedef enum gb_key_types { GB_NONE = 0, GB_BIT = 1, GB_BYTE = 2, GB_INT = 3, GB_FLOAT = 4, GB_POINTER = 5, // not savable! only allowed in temporary entries GB_BITS = 6, // 7 is unused GB_BYTES = 8, GB_INTS = 9, GB_FLOATS = 10, GB_LINK = 11, GB_STRING = 12, GB_STRING_SHRT = 13, /* used automatically during save */ // 14 is unused GB_DB = 15, // keep GB_TYPES consistent with AW_VARIABLE_TYPE // see ../WINDOW/aw_root.hxx@sync_GB_TYPES_AW_VARIABLE_TYPE GB_TYPE_MAX = 16 } GB_TYPES; enum gb_search_enum { GB_FIND = 0, GB_CREATE_CONTAINER = GB_DB /* create other types: use GB_TYPES */ }; #define GB_TYPE_2_CHAR "-bcif-B-CIFlSS-%" enum gb_search_types { this_level = 1, down_level = 2, down_2_level = 4, search_next = 8 /* search after item : this_level,down_level*/ }; /********************* public end ******************/ /********************* client/server ******************/ struct gbcmc_comm { int socket; char *unix_name; char *error; }; /********************* database ******************/ #define SIZOFINTERN 10 struct gb_extern_data { GB_REL_STRING rel_data; /* Typ: (char *) */ long memsize; long size; }; struct GB_INTern_strings { char data[SIZOFINTERN]; unsigned char memsize; unsigned char size; }; struct GB_INTern { char data[SIZOFINTERN]; }; union gb_data_base_type_union { int32_t i; void *ptr; struct GB_INTern_strings istr; struct GB_INTern in; struct gb_extern_data ex; }; struct gb_callback; struct gb_db_extended { long creation_date; long update_date; struct gb_callback *callback; struct gb_transaction_save *old; }; struct gb_data_base_type { long server_id; GB_REL_CONTAINER rel_father; /* Typ: (struct gb_data_base_type2 *) */ struct gb_db_extended *ext; long index; struct gb_flag_types flags; struct gb_flag_types2 flags2; union gb_data_base_type_union info; int cache_index; /* should be a member of gb_db_extended */ }; /*********** Alignment ***********/ typedef enum { GB_AT_UNKNOWN, GB_AT_RNA, /* Nucleotide sequence (U) */ GB_AT_DNA, /* Nucleotide sequence (T) */ GB_AT_AA, /* AminoAcid */ } GB_alignment_type; /*********** Sort ***********/ #ifdef __cplusplus extern "C" { #endif typedef long (*GB_MERGE_SORT)(void *, void *, char *cd); /*#define GB_MERGE_SORT long (*)(void *, void *, char *cd )*/ #ifdef __cplusplus } #endif struct GBL_command_table; #ifdef __cplusplus extern "C" { #endif typedef GBDATA* (*GB_Link_Follower)(GBDATA *GB_root,GBDATA *GB_elem,const char *link); typedef int (*gbs_hash_compare_function) (const char *key0, long val0, const char *key1, long val1); typedef int (*gb_compare_function)(const void *p0, const void *p1, void *client_data); typedef long (*gb_hash_loop_type)(const char *key, long val, void *client_data); typedef void (*gb_warning_func_type)(const char *msg); typedef void (*gb_information_func_type)(const char *msg); typedef int (*gb_status_func_type)(double val); typedef int (*gb_status_func2_type)(const char *val); typedef void (*gb_error_handler_type)(const char *msg); typedef const char* (*gb_export_sequence_cb)(GBDATA *gb_species, size_t *seq_len, GB_ERROR *error); #ifdef __cplusplus } #endif #if defined(__GNUG__) || defined(__cplusplus) extern "C" { #endif # define P_(s) s #include #ifdef ADLOCAL_H #include #endif /*ADLOCAL_H*/ #undef P_ #if defined(__GNUG__) || defined(__cplusplus) } #endif #ifdef __cplusplus #ifndef ARBTOOLS_H #include #endif // -------------------------------------------------------------------------------- // some const wrappers: inline char *GBS_find_string(char *str, GB_CSTR key, int match_mode) { return const_cast(GBS_find_string(const_cast(str), key, match_mode)); } // -------------------------------------------------------------------------------- struct gb_data_base_type2; class GB_transaction : Noncopyable { GBDATA *ta_main; bool ta_open; // is transaction open ? GB_ERROR ta_err; public: GB_transaction(GBDATA *gb_main); ~GB_transaction(); bool ok() const { return ta_open && !ta_err; } // ready to work on DB? GB_ERROR close(GB_ERROR error); // abort transaction if error (e.g.: 'return ta.close(error);') }; int GB_info(struct gb_data_base_type2 *gbd); #endif /*__cplusplus*/ #define GB_INLINE inline #else #error "arbdb.h included twice" #endif /*ARBDB_H*/ ./arbsrc_9167/ARBDB/arbdbpp.cxx0000644012664100000130000000234211440743000016101 0ustar arb_buildcoders#include #include "arbdb.h" #include "arbdbt.h" GB_transaction::GB_transaction(GBDATA *gb_main) : ta_main(gb_main) , ta_open(false) , ta_err(NULL) { if (ta_main) { ta_err = GB_push_transaction(ta_main); if (!ta_err) { ta_open = true; } } else { ta_err = "NULL-Transaction"; } } GB_ERROR GB_transaction::close(GB_ERROR error) { // abort transaction if error != NULL if (error) { if (ta_err) { ta_err = GBS_global_string("%s\n(previous error: %s)", error, ta_err); } else { ta_err = error; } } #if defined(DEVEL_RALF) #warning check for exported error here (when GB_export_error gets redesigned) #endif // DEVEL_RALF if (ta_open) { ta_err = GB_end_transaction(ta_main, ta_err); ta_open = false; } return ta_err; } GB_transaction::~GB_transaction() { if (ta_open) { GB_ERROR error = close(NULL); if (error) { fprintf(stderr, "Error while closing transaction: %s\n", error); gb_assert(0); // you need to manually use close() } } } int GB_info(struct gb_data_base_type2 *gbd){ return GB_info((GBDATA *)gbd); } ./arbsrc_9167/ARBDB/arbdbt.h0000644012664100000130000000602411440743000015353 0ustar arb_buildcoders#ifndef ARBDBT_H #define ARBDBT_H #ifndef ARBDB_H #include #endif #define GBT_SPECIES_INDEX_SIZE 10000 #define GBT_SAI_INDEX_SIZE 1000 #define GB_COMPRESSION_TAGS_SIZE_MAX 100 #define GB_GROUP_NAME_MAX 256 typedef float GBT_LEN; #define GBT_TREE_ELEMENTS(type) \ GB_BOOL is_leaf; \ GB_BOOL tree_is_one_piece_of_memory; \ type *father,*leftson,*rightson; \ GBT_LEN leftlen,rightlen; \ GBDATA *gb_node; \ char *name; \ char *remark_branch // remark_branch normally contains some bootstrap value in format 'xx%' // if you store other info there, please make sure that this info does not // start with digits!! // Otherwise the tree export routines will not work correctly! // -------------------------------------------------------------------------------- #define CLEAR_GBT_TREE_ELEMENTS(tree_obj_ptr) \ (tree_obj_ptr)->is_leaf = GB_FALSE; \ (tree_obj_ptr)->tree_is_one_piece_of_memory = GB_FALSE; \ (tree_obj_ptr)->father = 0; \ (tree_obj_ptr)->leftson = 0; \ (tree_obj_ptr)->rightson = 0; \ (tree_obj_ptr)->leftlen = 0; \ (tree_obj_ptr)->rightlen = 0; \ (tree_obj_ptr)->gb_node = 0; \ (tree_obj_ptr)->name = 0; \ (tree_obj_ptr)->remark_branch = 0 #define AWAR_ERROR_CONTAINER "tmp/message/pending" #ifdef FAKE_VTAB_PTR /* if defined, FAKE_VTAB_PTR contains 'char' */ typedef FAKE_VTAB_PTR virtualTable; #endif typedef struct gbt_tree_struct { #ifdef FAKE_VTAB_PTR virtualTable *dummy_virtual; /* simulate pointer to virtual-table used in AP_tree */ #endif GBT_TREE_ELEMENTS(struct gbt_tree_struct); } GBT_TREE; typedef enum { // bit flags GBT_REMOVE_MARKED = 1, GBT_REMOVE_NOT_MARKED = 2, GBT_REMOVE_DELETED = 4, // please keep AWT_REMOVE_TYPE in sync with GBT_TREE_REMOVE_TYPE // see ../AWT/awt_tree.hxx@sync_GBT_TREE_REMOVE_TYPE_AWT_REMOVE_TYPE } GBT_TREE_REMOVE_TYPE; #define GBT_TREE_AWAR_SRT " = :\n=:*=tree_*1:tree_tree_*=tree_*1" #define GBT_ALI_AWAR_SRT " =:\n=:*=ali_*1:ali_ali_*=ali_*1" #define P_(s) s #if defined(__GNUG__) || defined(__cplusplus) extern "C" { #endif typedef GB_ERROR (*species_callback)(GBDATA *gb_species, int *clientdata); #if defined(__GNUG__) || defined(__cplusplus) } #endif # include # ifdef ADLOCAL_H # include # endif #undef P_ #define CHANGE_KEY_PATH "presets/key_data" #define CHANGE_KEY_PATH_GENES "presets/gene_key_data" #define CHANGE_KEY_PATH_EXPERIMENTS "presets/experiment_key_data" #define CHANGEKEY "key" #define CHANGEKEY_NAME "key_name" #define CHANGEKEY_TYPE "key_type" #define CHANGEKEY_HIDDEN "key_hidden" #else #error arbdbt.h included twice #endif ./arbsrc_9167/ARBDB/EXAMPLES/all_spec_names.c0000644012664100000130000000136511213220011020264 0ustar arb_buildcoders#include #include int main(int argc, char **argv) { int i; char *path; GBDATA *gbmain; GBDATA *gbspec, *gbspecname; if (argc < 2) path = ":"; else path = argv[1]; if (!(gbmain = GB_open(path, "r"))) { GB_print_error(); return (-1); } GB_begin_transaction(gbmain); if (!(gbspec = GB_search(gbmain, "species_data/species", GB_FIND))){ GB_abort_transaction(gbmain); GB_close(gbmain); return (-1); } for (; gbspec; gbspec = GB_nextEntry(gbspec)) { gbspecname = GB_entry(gbspec, "name"); fprintf(stdout, "%s\n", GB_read_char_pntr(gbspecname)); } GB_commit_transaction(gbmain); GB_close(gbmain); } ./arbsrc_9167/ARBDB/EXAMPLES/Makefile0000644012664100000130000000041211440743000016615 0ustar arb_buildcodersCC = g++ -g all: all_spec_names write_all_species read_all_sequences %: %.c # $(CC) -I${ARBHOME}/INCLUDE -L${ARBHOME}/lib -o $@ $< -lARBDB -lsocket -lgen -lposix4 $(CC) -I${ARBHOME}/INCLUDE -L${ARBHOME}/lib -o $@ $< -lARBDB #-lnsl -L/usr/ucblib -lucb -lposix4 ./arbsrc_9167/ARBDB/EXAMPLES/read_all_sequences.c0000644012664100000130000000160211213220011021127 0ustar arb_buildcoders#include #include #include int main(int argc, char **argv) { int i; char *path; GBDATA *gbmain; GBDATA *gbspec, *gbspecname; char *ali_name; int len = 0; if (argc < 2) path = ":"; else path = argv[1]; if (!(gbmain = GB_open(path, "r"))) { GB_print_error(); return (-1); } GB_begin_transaction(gbmain); ali_name = GBT_get_default_alignment(gbmain); for ( gbspec = GBT_first_species_2(gbmain); gbspec; gbspec = GBT_next_species(gbspec)) { GBDATA *gb_data = GBT_read_sequence(gbspec,ali_name); if (!gb_data) continue; GB_read_char_pntr(gb_data); len += GB_read_string_count(gb_data); } GB_commit_transaction(gbmain); GB_close(gbmain); printf("%i bytes decompressed\n",len); return 0; } ./arbsrc_9167/ARBDB/EXAMPLES/rnanames.c0000644012664100000130000000265511440743000017140 0ustar arb_buildcoders#include #include # move to an example directory which is build separately int main(int argc, char **argv) { int i, cmp; char *path; GBDATA *gbmain, *gbdata, *gbname; GBDATA *gbali, *gbrnali, *gbspec; char *gbseqname; if (argc<2) path = ":"; else path = argv[1]; if (!(gbmain=GB_open(path,"r"))) return (-1); GB_begin_transaction(gbmain); if(!(gbali=GB_search(gbmain, "presets/allignment", GB_FIND))) GB_abort_transaction(gbmain); for (gbrnali=GB_find(gbali, "alignment_type", "%rna%",down_level); gbrnali; gbrnali=GB_find(gbrnali, 0,"%rna%", this_level+search_next)) { gbseqname = GB_read_string(GB_search(GB_get_father(gbrnali), "allignment_name", GB_FIND)); gbspec = GB_search(gbmain, "species_data/species", GB_FIND); for (gbname = GB_entry(gbspec, "name"); gbname; gbname = GB_nextEntry(gbname)) { if(strcmp(GB_read_char_pntr(gbname), gbseqname)) { gbdata = GB_search(GB_get_father(gbname), "ali_xxx/data", GB_find); fprintf(stdout, "%20s: %50s\n", GB_read_char_pntr(gbseqname), GB_read_char_pntr(gbdata)); break; } else { if(strcmp(GB_read_char_pntr(gbname), GB_read_char_pntr(gbseqname)) < 0) continue; else /* > */ break; } } } GB_commit_transaction(gbmain); GB_close(gbmain); } ./arbsrc_9167/ARBDB/EXAMPLES/write_all_species.c0000644012664100000130000000224311440743000021022 0ustar arb_buildcoders#include /* #include */ #include int main(int argc,char **argv) { GBDATA *gb_main,*gb_species,*gb_speciesname; char *path; GB_ERROR fehler; char *species_name; if(argc==1) path = ":"; else path = argv[1]; gb_main = GB_open(path,"r"); if(!gb_main) { printf("konnte Datenbank nicht oeffnen\n"); return(-1); } fehler=GB_begin_transaction(gb_main); if(fehler) { printf("fehler:%s\n",fehler); return(-1); } gb_species=GB_search(gb_main,"species_data/species",GB_FIND); for(;gb_species;gb_species=GB_find(gb_species,0,0,this_level+search_next)) { gb_speciesname=GB_search(gb_species,"name",GB_FIND); species_name=GB_read_string(gb_speciesname); printf("%s",species_name); free(species_name); gb_speciesname=GB_search(gb_species,"full_name",GB_FIND); if(!gb_speciesname) printf("\n"); else { species_name=GB_read_string(gb_speciesname); printf(" %s\n",species_name); free(species_name); } } GB_commit_transaction(gb_main); } ./arbsrc_9167/ARBDB/Makefile0000644012664100000130000002751711440743000015416 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend include AD_MOBJECTS.h OBJECTS = $(GB_O) $(GB_T) $(GB_PP) $(GB_X) $(MAIN): $(OBJECTS) $(LINK_SHARED_LIB) $(@:.a=).$(SHARED_LIB_SUFFIX) $(OBJECTS) touch $@ .c.o: $(ACCLIB) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) .cxx.o: $(CPPLIB) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) proto: gproto lproto lproto: lpro tlpro# local prototypes lpro: $(GB_O:.o=.c) ../MAKEBIN/aisc_mkpt -c "Internal database interface" -G -z -C -w ad_lpro.h -F gb_,gbs_,gbcm,gbm_,gbl_ $^ >ad_lpro.h.tmp ../SOURCE_TOOLS/mv_if_diff ad_lpro.h.tmp ad_lpro.h tlpro: $(GB_T:.o=.c) ../MAKEBIN/aisc_mkpt -c "Internal toolkit" -G -z -C -w ad_t_lpro.h -F gb_,gbt_,gbs_ $^ >ad_t_lpro.h.tmp ../SOURCE_TOOLS/mv_if_diff ad_t_lpro.h.tmp ad_t_lpro.h gproto: pro tpro kpro# global prototypes pro: $(GB_O:.o=.c) ../MAKEBIN/aisc_mkpt -c "ARB database interface" -G -z -C -w ad_prot.h -F GB_,GEN_,EXP_,GBS_,GBP_,GBT_,GBCM $^ >ad_prot.h.tmp ../SOURCE_TOOLS/mv_if_diff ad_prot.h.tmp ad_prot.h tpro: $(GB_T:.o=.c) ../MAKEBIN/aisc_mkpt -c "ARB toolkit" -G -z -C -w ad_t_prot.h -F GB_,GEN_,EXP_,GBT_ $^ >ad_t_prot.h.tmp ../SOURCE_TOOLS/mv_if_diff ad_t_prot.h.tmp ad_t_prot.h kpro: $(GB_O:.o=.c) ../MAKEBIN/aisc_mkpt -c "ARB kernel interface" -G -z -C -w ad_k_prot.h -F GBK_ $^ >ad_k_prot.h.tmp ../SOURCE_TOOLS/mv_if_diff ad_k_prot.h.tmp ad_k_prot.h wc: wc *.[ch] clean: rm -f $(OBJECTS) *.a *.so DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ad_config.o: ad_config.h ad_config.o: ad_k_prot.h ad_config.o: ad_prot.h ad_config.o: ad_t_prot.h ad_config.o: arb_assert.h ad_config.o: arbdb.h ad_config.o: arbdb_base.h ad_config.o: arbdbt.h ad_config.o: $(ARBHOME)/INCLUDE/attributes.h ad_core.o: ad_k_prot.h ad_core.o: ad_lpro.h ad_core.o: ad_prot.h ad_core.o: adlmacros.h ad_core.o: adlocal.h ad_core.o: adtune.h ad_core.o: arb_assert.h ad_core.o: arbdb.h ad_core.o: arbdb_base.h ad_core.o: $(ARBHOME)/INCLUDE/attributes.h ad_load.o: ad_k_prot.h ad_load.o: ad_lpro.h ad_load.o: ad_prot.h ad_load.o: ad_t_lpro.h ad_load.o: ad_t_prot.h ad_load.o: adlmacros.h ad_load.o: adlocal.h ad_load.o: admap.h ad_load.o: adtune.h ad_load.o: arb_assert.h ad_load.o: arbdb.h ad_load.o: arbdb_base.h ad_load.o: arbdbt.h ad_load.o: $(ARBHOME)/INCLUDE/attributes.h ad_save_load.o: ad_k_prot.h ad_save_load.o: ad_lpro.h ad_save_load.o: ad_prot.h ad_save_load.o: adlmacros.h ad_save_load.o: adlocal.h ad_save_load.o: admap.h ad_save_load.o: adtune.h ad_save_load.o: arb_assert.h ad_save_load.o: arbdb.h ad_save_load.o: arbdb_base.h ad_save_load.o: $(ARBHOME)/INCLUDE/attributes.h adali.o: ad_k_prot.h adali.o: ad_lpro.h adali.o: ad_prot.h adali.o: ad_t_lpro.h adali.o: ad_t_prot.h adali.o: adGene.h adali.o: adlmacros.h adali.o: adlocal.h adali.o: adtune.h adali.o: arb_assert.h adali.o: arbdb.h adali.o: arbdb_base.h adali.o: arbdbt.h adali.o: $(ARBHOME)/INCLUDE/attributes.h adChangeKey.o: ad_k_prot.h adChangeKey.o: ad_prot.h adChangeKey.o: ad_t_prot.h adChangeKey.o: arb_assert.h adChangeKey.o: arbdb.h adChangeKey.o: arbdb_base.h adChangeKey.o: arbdbt.h adChangeKey.o: $(ARBHOME)/INCLUDE/attributes.h adcolumns.o: ad_k_prot.h 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adquery.o: $(ARBHOME)/INCLUDE/attributes.h adRevCompl.o: ad_k_prot.h adRevCompl.o: ad_prot.h adRevCompl.o: ad_t_prot.h adRevCompl.o: arb_assert.h adRevCompl.o: arbdb.h adRevCompl.o: arbdb_base.h adRevCompl.o: arbdbt.h adRevCompl.o: $(ARBHOME)/INCLUDE/attributes.h adseqcompr.o: ad_k_prot.h adseqcompr.o: ad_lpro.h adseqcompr.o: ad_prot.h adseqcompr.o: ad_t_lpro.h adseqcompr.o: ad_t_prot.h adseqcompr.o: adlmacros.h adseqcompr.o: adlocal.h adseqcompr.o: adtune.h adseqcompr.o: arb_assert.h adseqcompr.o: arbdb.h adseqcompr.o: arbdb_base.h adseqcompr.o: arbdbt.h adseqcompr.o: $(ARBHOME)/INCLUDE/attributes.h adsocket.o: ad_k_prot.h adsocket.o: ad_lpro.h adsocket.o: ad_prot.h adsocket.o: adlmacros.h adsocket.o: adlocal.h adsocket.o: adtune.h adsocket.o: arb_assert.h adsocket.o: arbdb.h adsocket.o: arbdb_base.h adsocket.o: $(ARBHOME)/INCLUDE/attributes.h adsort.o: ad_k_prot.h adsort.o: ad_prot.h adsort.o: arb_assert.h adsort.o: arbdb.h adsort.o: arbdb_base.h adsort.o: $(ARBHOME)/INCLUDE/attributes.h adstring.o: ad_k_prot.h adstring.o: ad_lpro.h adstring.o: ad_prot.h adstring.o: adlmacros.h adstring.o: adlocal.h adstring.o: adtune.h adstring.o: arb_assert.h adstring.o: arbdb.h adstring.o: arbdb_base.h adstring.o: $(ARBHOME)/INCLUDE/attributes.h adsystem.o: ad_k_prot.h adsystem.o: ad_lpro.h adsystem.o: ad_prot.h adsystem.o: ad_t_lpro.h adsystem.o: ad_t_prot.h adsystem.o: adlmacros.h adsystem.o: adlocal.h adsystem.o: adtune.h adsystem.o: arb_assert.h adsystem.o: arbdb.h adsystem.o: arbdb_base.h adsystem.o: arbdbt.h adsystem.o: $(ARBHOME)/INCLUDE/attributes.h adtables.o: ad_k_prot.h adtables.o: ad_lpro.h adtables.o: ad_prot.h adtables.o: ad_t_lpro.h adtables.o: ad_t_prot.h adtables.o: adlmacros.h adtables.o: adlocal.h adtables.o: adtune.h adtables.o: arb_assert.h adtables.o: arbdb.h adtables.o: arbdb_base.h adtables.o: arbdbt.h adtables.o: $(ARBHOME)/INCLUDE/attributes.h adtcp.o: ad_k_prot.h adtcp.o: ad_lpro.h adtcp.o: ad_prot.h adtcp.o: ad_t_lpro.h adtcp.o: ad_t_prot.h adtcp.o: adlmacros.h adtcp.o: adlocal.h adtcp.o: adtune.h adtcp.o: arb_assert.h adtcp.o: arbdb.h adtcp.o: arbdb_base.h adtcp.o: arbdbt.h adtcp.o: $(ARBHOME)/INCLUDE/attributes.h adTest.o: ad_k_prot.h adTest.o: ad_lpro.h adTest.o: ad_prot.h adTest.o: adlmacros.h adTest.o: adlocal.h adTest.o: admap.h adTest.o: adtune.h adTest.o: arb_assert.h adTest.o: arbdb.h adTest.o: arbdb_base.h adTest.o: $(ARBHOME)/INCLUDE/attributes.h adtools.o: ad_k_prot.h adtools.o: ad_lpro.h adtools.o: ad_prot.h adtools.o: ad_t_lpro.h adtools.o: ad_t_prot.h adtools.o: adlmacros.h adtools.o: adlocal.h adtools.o: adtune.h adtools.o: arb_assert.h adtools.o: arbdb.h adtools.o: arbdb_base.h adtools.o: arbdbt.h adtools.o: $(ARBHOME)/INCLUDE/attributes.h adtree.o: ad_k_prot.h adtree.o: ad_lpro.h adtree.o: ad_prot.h adtree.o: ad_t_lpro.h adtree.o: ad_t_prot.h adtree.o: adlmacros.h adtree.o: adlocal.h adtree.o: adtune.h adtree.o: arb_assert.h adtree.o: arbdb.h adtree.o: arbdb_base.h adtree.o: arbdbt.h adtree.o: $(ARBHOME)/INCLUDE/attributes.h adtune.o: adtune.h arbdb.o: ad_k_prot.h arbdb.o: ad_lpro.h arbdb.o: ad_prot.h arbdb.o: adlmacros.h arbdb.o: adlocal.h arbdb.o: adtune.h arbdb.o: arb_assert.h arbdb.o: arbdb.h arbdb.o: arbdb_base.h arbdb.o: $(ARBHOME)/INCLUDE/attributes.h arbdbpp.o: ad_k_prot.h arbdbpp.o: ad_prot.h arbdbpp.o: ad_t_prot.h arbdbpp.o: arb_assert.h arbdbpp.o: arbdb.h arbdbpp.o: arbdb_base.h arbdbpp.o: arbdbt.h arbdbpp.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/ARBDBPP/adali.cxx0000644012664100000130000000711511440743001016005 0ustar arb_buildcoders#include #include #include #include #include #include #include "arbdb++.hxx" #define ad_assert(cond) arb_assert(cond) // -------------------------------------------------------------------------------- // class: AD_ALI AD_ALI::AD_ALI() { gb_ali = gb_aligned = gb_name = gb_len = gb_type = 0; ad_main = 0; last = count = 0; ad_name = ad_type = 0; ad_aligned = ad_len = 0; } AD_ALI::~AD_ALI() { if (ad_main) new AD_ERR("AD_ALI: no exit !",CORE); } AD_ERR *AD_ALI::init(AD_MAIN * gbptr) { if (!gbptr) { return new AD_ERR("AD_ALI.init(NULL)",CORE); } else { ad_main = gbptr; ddefault(); return 0; } } AD_ERR *AD_ALI::exit() { if (ad_main) { ad_main = 0; return 0; } return new AD_ERR("AD_ALI: exit() without init()"); } AD_ERR *AD_ALI::ddefault() { AD_ERR *res; char *def = GBT_get_default_alignment(ad_main->gbd); res =find(def); delete def; return res; } AD_ERR *AD_ALI::initpntr() { // initialisiert das objekt // gb_ali sollte veraendert werden, dann aufrufen if (!gb_ali) { last = 1; gb_ali = gb_aligned = gb_name = gb_len = gb_type = 0; return 0; } last = 0; gb_name = GB_entry(gb_ali,"alignment_name"); gb_aligned = GB_entry(gb_ali,"aligned"); gb_len = GB_entry(gb_ali,"alignment_len"); gb_type = GB_entry(gb_ali,"alignment_type"); ad_name = GB_read_string(gb_name); ad_type = GB_read_string(gb_type); ad_len = GB_read_int(gb_len); ad_aligned = GB_read_int(gb_aligned); AD_READWRITE::gbdataptr = gb_ali; return 0; } AD_ERR *AD_ALI::release() { if (ad_name) delete ad_name; if (ad_type) delete ad_type; AD_READWRITE::gbdataptr = 0; ad_name = 0; ad_type = 0; return 0; } AD_ERR *AD_ALI::first() { // initialisiert das Objekt mit dem ersten gefundenen // Alignment, eof falls keins existiert release(); gb_ali = GB_entry(ad_main->gbd,"alignment"); initpntr(); return 0; } AD_ERR *AD_ALI::find(char* ali_name) { // sucht nach name, eof wenn nicht gefunden ! // release(); gb_ali = GBT_get_alignment(ad_main->gbd, ali_name); initpntr(); return 0; } AD_ERR *AD_ALI::next() // initialisiert auf das naechste, bzw. erste gefundene Objekt // falss kein weiteres liefert es einen Fehler zurueck // und setzt last-flag { GBDATA *gbptr; if (!gb_ali) { AD_ALI::first(); return 0; } else { release(); ad_assert(GB_has_key(gb_ali, "alignment")); gbptr = GB_nextEntry(gb_ali); gb_ali = gbptr; initpntr(); } return 0; } int AD_ALI::time_stamp(void) { if (gb_ali != 0) return GB_read_clock(gb_ali); new AD_ERR("AD_ALI::time_stamp - no alignment selected"); return 0; } int AD_ALI::eof() { return last; } int AD_ALI::aligned() { return ad_aligned; } int AD_ALI::len() { return ad_len; } char *AD_ALI::type() { // Achtung: kurzlebiger speicher !! ansonsten read_string !! return ad_type; } char *AD_ALI::name() { return ad_name; } void AD_ALI::operator=(AD_ALI& ali) { ad_main = ali.ad_main; gb_ali = ali.gb_ali; gb_aligned = ali.gb_aligned; gb_name = ali.gb_name; gb_len = ali.gb_len; gb_type = ali.gb_type; count = 0; // keine contianer haengen am objekt last = ali.last; if (ali.ad_name) ad_name = strdup(ali.ad_name); else ad_name = 0; if (ali.ad_type) ad_type = strdup(ali.ad_type); else ad_type = 0; } ./arbsrc_9167/ARBDBPP/adextended.cxx0000644012664100000130000000601111440743001017032 0ustar arb_buildcoders#include #include #include #include #include #include #include "arbdb++.hxx" // -------------------------------------------------------------------------------- // class AD_SAI AD_SAI::AD_SAI() { gb_main = 0; } AD_SAI::~AD_SAI() // callbacks nur innerhalb von transaktionen releasen ->exit // gibt speicherplatz frei { if (ad_main) new AD_ERR("AD_SAI: No exit() !!",CORE); } AD_ERR * AD_SAI::exit() { if (ad_main) release(); delete container; ad_main = 0; return 0; } AD_ERR * AD_SAI::init(AD_MAIN * gb_ptr) // stellt verknuepfung mit ubergeordneter Klasse her { if (ad_main != 0) { return new AD_ERR("AD_SAI: no reinit\n"); } if (gb_ptr->gbd) { ad_main = gb_ptr; gb_main = gb_ptr->gbd; last = count = 0; AD_READWRITE::gbdataptr = 0; return 0; } else { return new AD_ERR("SAI init (NULL)\n"); } } AD_ERR *AD_SAI::first() { if (ad_main) { AD_SAI::release(); // speicherplatz freigeben gb_species = GBT_first_SAI(gb_main); //erstes extended AD_SAI::initpntr(); return 0; } return new AD_ERR("AD_extended first: NO AD_MAIN\n"); } AD_ERR * AD_SAI::find(char *path) // sucht nach extended mit namen = path { error(); AD_SPECIES::release(); // speicherplatz freigeben` gb_species = GBT_find_SAI_rel_SAI_data(ad_main->sai_data,path); AD_SPECIES::initpntr(); return 0; } AD_ERR * AD_SAI::create(char *sai_name) { GBDATA *extended; if (strlen(sai_name) < 2) return new AD_ERR("AD_SAI::create ungueltige Parameter"); extended = GBT_find_or_create_SAI(gb_main,sai_name); gb_species = extended; initpntr(); return 0; } char * AD_SAI::fullname() { return 0; } AD_ERR * AD_SAI::next() // initialisiert objekt auf naechstes extended oder erstes { error(); if (!gb_species && last == 0) first(); AD_SAI::release(); // speicherplatz freigeben gb_species = GBT_next_SAI(gb_species); AD_SAI::initpntr(); return 0; } /******** not yet in GBT AD_ERR *AD_SAI::firstmarked() { if (ad_main ) { gb_extended = GBT_first_marked_extended(gb_exdata); initpntr(); return 0; } return new AD_ERR("AD_SAI::firstmarked() but no init()!",CORE); } AD_ERR * AD_SAI::nextmarked() // naechstes markiertes extended oder erstes markiertes { if ((!gb_extended && (last ==0))) { gb_extended = GBT_first_marked_extended(gb_exdata); initpntr(); return 0; } else { release(); gb_extended = GBT_next_marked_extended(gb_extended); initpntr(); return 0; } } ************/ void AD_SAI::operator =(const AD_SAI& right) { gb_main = right.gb_main; (AD_SPECIES &) *this = (AD_SPECIES&) right; } ./arbsrc_9167/ARBDBPP/admain.cxx0000644012664100000130000002074411440743001016167 0ustar arb_buildcoders#include #include #include #include #include #include #include "arbdb++.hxx" /*********************************** *********************************** DB MAIN ************************************ ************************************/ AD_MAIN::AD_MAIN() { gbd = 0; species_data = sai_data = presets = 0; AD_fast = MAXCACH; } AD_MAIN::~AD_MAIN() { if (gbd) new AD_ERR("AD_MAIN: no close or exit !!"); } /********************************* open : oeffnet die Datenbank mit dem namen *path default: cach abgeschaltet, AD_fast = MAXCACH; cach an MINCACH ***********************************/ AD_ERR *AD_MAIN::open(const char *path) { if (AD_fast == MAXCACH) { gbd = GB_open(path,"rw"); } else { gbd = GB_open(path,"rwt"); // tiny speichersparend } if (gbd) { // DB geoeffnet GB_begin_transaction(gbd); // Zeiger initialisieren species_data = GB_entry(gbd,"species_data"); sai_data = GB_entry(gbd,"extended_data"); presets = GB_entry(gbd,"presets"); GB_commit_transaction(gbd); gbdataptr = gbd; return 0; } else { return new AD_ERR("database doesn't exist"); } } AD_ERR *AD_MAIN::open(const char *path,int cach/* = MAXCACH*/) { AD_fast = cach; return open(path); } AD_ERR * AD_MAIN::save(const char *modus) { // binary format als Voreinstellung char *error; if (strncmp("ascii",modus,strlen(modus))) { error = (char *)GB_save(gbd,0,"b"); } else { error = (char *)GB_save(gbd,0,"a"); } if (error) printf("%s\n",error); //return new AD_ERR(error); return 0; } AD_ERR * AD_MAIN::save_as(const char *modus) { // binary format als Voreinstellung char *error; if (strncmp("ascii",modus,strlen(modus))) { error = (char *)GB_save_as(gbd,0,"b"); } else { error = (char *)GB_save_as(gbd,0,"a"); } if (error) printf("%s\n",error); //return new AD_ERR(error); return 0; } AD_ERR * AD_MAIN::save_home(const char *modus) { // binary format als Voreinstellung char *error; if (strncmp("ascii",modus,strlen(modus))) { error = (char *)GB_save_in_home(gbd,0,"b"); } else { error = (char *)GB_save_in_home(gbd,0,"a"); } if (error) printf("%s\n",error); //return new AD_ERR(error); return 0; } AD_ERR *AD_MAIN::close() { if (gbd) { GB_close(gbd); } gbd = 0; return 0; } AD_ERR *AD_MAIN::push_transaction() { char *error = 0; error = (char *)GB_push_transaction(gbd); if (!error) return 0; return new AD_ERR(error); } AD_ERR *AD_MAIN::pop_transaction() { char *error = 0; error = (char *)GB_pop_transaction(gbd); if (!error) return 0; return new AD_ERR(error); } AD_ERR *AD_MAIN::begin_transaction() { char *error = 0; error = (char *)GB_begin_transaction(gbd); if (!error) return 0; return new AD_ERR(error); } AD_ERR *AD_MAIN::commit_transaction() { char *error = 0; error = (char *)GB_commit_transaction(gbd); if (!error) return 0; return new AD_ERR(error); } AD_ERR * AD_MAIN::abort_transaction() { char* error = 0; error = (char *)GB_abort_transaction(gbd); if (!error) return 0; return new AD_ERR(error); } int AD_MAIN::get_cach_flag() // liefert das Speicherflag zurueck { return AD_fast; } int AD_MAIN::time_stamp(void) { return GB_read_clock(species_data); } AD_ERR * AD_MAIN::change_security_level(int level) { GB_ERROR error; char passwd='\n'; // not implemented error = GB_change_my_security(gbd,level,&passwd); if (error == 0) return 0; return new AD_ERR(error); } /************************************** AD_READWRITE *************************/ char *AD_READWRITE::readstring(char *feld) { GBDATA *gbptr = 0; GB_TYPES type; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,feld); } if (gbptr != 0) { type = GB_read_type(gbptr); if (type == GB_STRING) { return (char *)GB_read_string(gbptr); } } return 0; // falscher type oder eintrag nicht gefunden; } int AD_READWRITE::readint(char *feld) { GBDATA *gbptr = 0; GB_TYPES type; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,feld); } if (gbptr != 0) { type = GB_read_type(gbptr); if (type == GB_INT ) { return (int)GB_read_int(gbptr); } new AD_ERR("readint: no int type!"); return 0; } return 0; // falscher type oder eintrag nicht gefunden; } float AD_READWRITE::readfloat(char *feld) { GBDATA *gbptr = 0; GB_TYPES type; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,feld); } if (gbptr != 0) { type = GB_read_type(gbptr); if (type == GB_FLOAT ) { return (float)GB_read_float(gbptr); } new AD_ERR("readfloat: no float type!"); return 0; } return 0; // falscher type oder efloatrag nicht gefunden; } AD_ERR *AD_READWRITE::writestring(char *feld,char *eintrag) { GBDATA *gbptr = 0; GB_TYPES type; GB_ERROR error; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,feld); } if (gbptr != 0) { type = GB_read_type(gbptr); if (type == GB_STRING ) { error = GB_write_string(gbptr,eintrag); if (error == 0) { return 0; } return new AD_ERR("writestring not possible"); } return new AD_ERR("writestring on non string entry!"); } return new AD_ERR("writestring: feld not existing",CORE); } AD_ERR *AD_READWRITE::writeint(char *feld,int eintrag) { GBDATA *gbptr = 0; GB_TYPES type; GB_ERROR error; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,feld); } if (gbptr != 0) { type = GB_read_type(gbptr); if (type == GB_INT) { error = GB_write_int(gbptr,eintrag); if (error == 0) { return 0; } return new AD_ERR("writeint not possible"); } return new AD_ERR("writeint on non string entry!"); //return new AD_ERR("writeint on non string entry!",AD_ERR_WARNING); } return new AD_ERR("writeint: feld not existing",CORE); } AD_ERR *AD_READWRITE::writefloat(char *feld,float eintrag) { GBDATA *gbptr = 0; GB_TYPES type; GB_ERROR error; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,feld); } if (gbptr != 0) { type = GB_read_type(gbptr); if (type == GB_FLOAT) { error = GB_write_float(gbptr,eintrag); if (error == 0) { return 0; } return new AD_ERR("writefloat not possible"); } return new AD_ERR("writefloat on non string entry!"); //return new AD_ERR("writefloat on non string entry!",AD_ERR_WARNING); } return new AD_ERR("writefloat: feld not existing",CORE); } AD_ERR *AD_READWRITE::create_entry(char *key, AD_TYPES type) { GBDATA *newentry = 0; if (gbdataptr == 0) { return new AD_ERR("AD_READWRITE::create_entry : not inited right"); } // place to check the rights for creation of a new entry // not yet implemented newentry = GB_create(gbdataptr,key,(GB_TYPES)type); // NULL standing for previous GBDATA and is so not used if (newentry == 0) { return new AD_ERR("AD_READWRITE::create_entry didn't work",CORE); } return 0; } AD_TYPES AD_READWRITE::read_type(char *key) { GBDATA *gbptr =0; if (gbdataptr != 0) { gbptr = GB_entry(gbdataptr,key); } if (gbptr != 0) { return (AD_TYPES)GB_read_type(gbptr); } return ad_none; } /********************************************* AD_ERR *************************/ AD_ERR::~AD_ERR() { } AD_ERR::AD_ERR (const char *pntr) // setzt den Fehlertext und zeigt ihn an { text = (char *)pntr; } AD_ERR::AD_ERR (void ) // setzt den Fehlertext und zeigt ihn an { text = 0; printf("%c\n",7); } AD_ERR::AD_ERR (const char *pntr, const int core) // setzt den Fehlertext // bricht ab // -> besseres Debugging // wird bei flascher Anwendung der AD_~Klassen verwendet { text = (char *)pntr; //cout << "ERROR in ARBDB++: \n" << text << "\n"; //cout.flush(); if (core == CORE) ADPP_CORE; // -segmantation Fault } char *AD_ERR::show() { return text; } ./arbsrc_9167/ARBDBPP/adseq.cxx0000644012664100000130000007206211440743001016033 0ustar arb_buildcoders/**************** sequence.cxx enthaelt code fuer AD_CONT AD_SEQ AD_STAT *******/ #include #include #include #include #include #include #include #include #include #include "arbdb++.hxx" /********************* AD_STAT **********************/ AD_STAT::AD_STAT() { c_1 = '1'; c_0 = '0'; ad_cont = 0; last = 0; marktype = ad_none; gb_mark = 0; GB_INT_mark = 0; gb_char_mark = 0; GB_FLOAT_mark = 0; updated = 0; nmark = 0; markdata = 0; markdatafloat = 0; markdataint = 0; } AD_STAT::~AD_STAT() // gibt speicherplatz fuer markierungen frei frei { if (inited_object == 1) new AD_ERR("AD_STAT: no exit before ~"); } AD_ERR * AD_STAT::init(AD_CONT * adptr) // { ad_cont = adptr; if (ad_cont->gb_ali == NULL) return new AD_ERR("AD_STAT: init without propper inited container",CORE); gb_mark = ad_cont->gb_ali; inited_object = 1; return 0; } AD_ERR * AD_STAT::release() { if (GB_INT_mark != 0) { GB_remove_callback(GB_INT_mark,GB_CB_CHANGED,(GB_CB)AD_STAT_updatecall,(int *)this); if (ad_cont->get_cach_flag() == MINCACH) { GB_release(GB_INT_mark); } if (markdataint != 0) free ((char *)markdataint); nmark = 0; GB_INT_mark = 0; } if (gb_char_mark != 0) { GB_remove_callback(gb_char_mark,GB_CB_CHANGED,(GB_CB)AD_STAT_updatecall,(int *)this); if (markdata != 0)free ((char *)markdata); nmark = 0; gb_char_mark = 0; } if (GB_FLOAT_mark != 0) { GB_remove_callback(GB_FLOAT_mark,GB_CB_CHANGED,(GB_CB)AD_STAT_updatecall,(int *)this); if (markdatafloat != 0) free ((char *)markdatafloat); nmark = 0; GB_FLOAT_mark = 0; } if (marktype) marktype = ad_none; if (markkey) free ((char *)markkey); return 0; } AD_ERR * AD_STAT::exit() { if (inited_object == 0) return new AD_ERR("AD_STAT: exit() without init()"); release(); gb_mark = 0; gb_markdata = 0; inited_object = 0; return 0; } AD_ERR * AD_STAT::initpntr() { if (gb_markdata == 0) { release(); last = 1; gb_char_mark = 0; GB_FLOAT_mark = 0; GB_INT_mark = 0; return 0; } release(); marktype = (AD_TYPES)GB_read_type(gb_markdata ); markkey = GB_read_key(gb_markdata); switch (marktype) { case ad_ints: /*if (GB_INT_mark) free ((char *)GB_INT_mark); if (GB_FLOAT_mark) free ((char *)GB_FLOAT_mark); if (gb_char_mark) free ((char *)gb_char_mark);*/ GB_INT_mark = gb_markdata; GB_FLOAT_mark = 0; gb_char_mark = 0; nmark = GB_read_ints_count(gb_markdata); markdataint = GB_read_ints(gb_markdata); GB_add_callback(gb_char_mark, GB_CB_CHANGED, (GB_CB) AD_STAT_updatecall, (int *) this); last = 0; break; case ad_floats: GB_FLOAT_mark = gb_markdata; GB_INT_mark = 0; gb_char_mark = 0; nmark = GB_read_floats_count(gb_markdata); markdatafloat = GB_read_floats(gb_markdata); GB_add_callback(GB_FLOAT_mark, GB_CB_CHANGED, (GB_CB) AD_STAT_updatecall, (int *) this); last = 0; break; case ad_bits: gb_char_mark = gb_markdata; GB_FLOAT_mark = 0; GB_INT_mark = 0; nmark = GB_read_bits_count(gb_markdata); markdata = GB_read_bits(gb_markdata,c_0,c_1); GB_add_callback(GB_INT_mark, GB_CB_CHANGED, (GB_CB) AD_STAT_updatecall, (int *) this); last = 0; break; default : gb_char_mark = 0; GB_FLOAT_mark = 0; GB_INT_mark = 0; last = 1; } return 0; } AD_ERR * AD_STAT::first() { char *key = 0; if (gb_mark != 0) { release(); gb_markdata = GB_child(gb_mark); if (gb_markdata != 0) { key = GB_read_key(gb_markdata); if (strcmp(key, "data") == 0) { gb_markdata = GB_nextChild(gb_markdata); if (gb_markdata != 0) { key = GB_read_key(gb_markdata); } } } if (gb_markdata == 0) { // keine markierung vorhanden last = 1; return 0; } markkey = strdup(key); initpntr(); return 0; } return new AD_ERR("AD_species first: NO AD_MAIN\n"); } AD_ERR * AD_STAT::first(AD_TYPES typus) { AD_TYPES adtype; if (gb_mark != 0) { release(); gb_markdata = GB_child(gb_mark); while (last != 0) { gb_markdata = GB_child(gb_mark); if (gb_markdata != 0) { adtype = (AD_TYPES) GB_read_type(gb_markdata); if (adtype == typus) { marktype = adtype; initpntr(); return 0; } else { gb_markdata = GB_nextChild(gb_markdata); } } } initpntr(); } return 0; } AD_ERR * AD_STAT::next() { if (gb_markdata == 0 || last == 1) { return new AD_ERR("AD_STAT::next() not possible, no first or last!"); } release(); gb_markdata = GB_nextChild(gb_markdata); initpntr(); return 0; } AD_ERR * AD_STAT::next(AD_TYPES typus) { if (gb_markdata == 0 || last == 1) { return new AD_ERR("AD_STAT::next() not possible, no first or last!"); } release(); while (gb_markdata != 0) { gb_markdata = GB_nextChild(gb_markdata); if (gb_markdata != 0) { if ((AD_TYPES)GB_read_type(gb_markdata) == typus) { initpntr(); return 0; } } } last = 1; marktype = typus; return 0; } int AD_STAT_updatecall(GBDATA *gb_char_mark,AD_STAT *ad_mark) // behandelt ein update der Markierung in der Datenbank // problem -> wenn editiert wird ni // // { if ((gb_char_mark != ad_mark->GB_INT_mark) &&(gb_char_mark != ad_mark->gb_char_mark) && (gb_char_mark != ad_mark->GB_FLOAT_mark)) { new AD_ERR("AD_STAT: WRONG update callback",CORE); } if (gb_char_mark == ad_mark->gb_char_mark) { ad_mark->gb_markdata = gb_char_mark; ad_mark->initpntr(); } if (gb_char_mark == ad_mark->GB_FLOAT_mark) { ad_mark->gb_markdata = gb_char_mark; ad_mark->initpntr(); } if (gb_char_mark == ad_mark->GB_INT_mark) { ad_mark->gb_markdata = gb_char_mark; ad_mark->initpntr(); } ad_mark->updated = 1; // flag setzen return 0; } char * AD_STAT::getbits() { if (marktype != ad_bits) { new AD_ERR("AD_STAT::getbits() Wrong Type !"); return 0; } return markdata; } float * AD_STAT::getfloat() { if (marktype != ad_floats) { new AD_ERR("AD_STAT::getfloat() Wrong Type !"); return 0; } return markdatafloat; } GB_UINT4 * AD_STAT::getint() { if (marktype != ad_ints) { new AD_ERR("AD_STAT::getint() Wrong Type !"); return 0; } return markdataint; } AD_ERR *AD_STAT::put() { char *error; if (gb_char_mark == 0 && GB_FLOAT_mark == 0 && GB_INT_mark == 0) return new AD_ERR("AD_SEQ::write not possible!"); if (GB_FLOAT_mark != 0) { error = (char *)GB_write_floats(GB_FLOAT_mark,markdatafloat,nmark); if (error != 0) { return new AD_ERR(error); } } if (gb_char_mark != 0) { char c_0_buf[] = "x"; c_0_buf[0] = c_0; error = (char *)GB_write_bits(gb_char_mark,markdata,nmark,c_0_buf); if (error != 0) { return new AD_ERR(error); } } if (GB_INT_mark != 0) { error = (char *)GB_write_ints(GB_INT_mark,markdataint,nmark); if (error != 0) { return new AD_ERR(error); } } return 0; } AD_ERR *AD_STAT::put(char *markings, int len) { // hier gehoert ein test ob in markings zulaessige // markierungsdaten stehen ... not implemented if (marktype != ad_bits) { return new AD_ERR("*AD_STAT::put(char * ... WRONG TYPE",CORE); } markdata = markings; nmark = len; put(); return 0; } int AD_STAT::time_stamp(void) { return GB_read_clock(gb_mark); } AD_ERR *AD_STAT::put(float *markings, int len) { // hier gehoert ein test ob in markings zulaessige // markierungsdaten stehen ... not implemented if (marktype != ad_floats) { return new AD_ERR("*AD_STAT::put(float *... WRONG TYPE",CORE); } markdatafloat = markings; nmark = len; put(); return 0; } AD_ERR *AD_STAT::put(GB_UINT4 *markings, int len) { if (marktype != ad_ints) { return new AD_ERR("*AD_STAT::put(int * ... WRONG TYPE",CORE); } markdataint = markings; nmark = len; put(); return 0; } AD_TYPES AD_STAT::type() { return marktype; } /********************* AD_SEQ **********************/ void AD_SEQ_delcall(GBDATA *gb_seq,AD_SEQ *ad_seq) { gb_seq = gb_seq; ad_seq->exit(); } int AD_SEQ_updatecall(GBDATA *gb_seq,AD_SEQ *ad_seq) // behandelt ein update der sequenz in der Datenbank // problem -> wenn editiert wird ni // // { long new_time_stamp; if (gb_seq != ad_seq->gb_seq) new AD_ERR("AD_SEQ: WRONG update callback",CORE); new_time_stamp = GB_read_clock(gb_seq); if (ad_seq->timestamp != new_time_stamp) { ad_seq->timestamp = new_time_stamp; if (ad_seq->seq && ad_seq->gb_seq) { ad_seq->update(); } } return 0; GB_CSTR old = (GB_CSTR)GB_read_old_value(); if (!old) return 0; printf("old: %40s\n",old); GB_CSTR n = GB_read_char_pntr(gb_seq); printf("old: %40s\n",n); return 0; } AD_SEQ::AD_SEQ() { memset(this,0,sizeof(AD_SEQ)); // no virtual members !!! } AD_SEQ::~AD_SEQ() // gibt speicherplatz fuer sequenz frei { if (seq){ new AD_ERR("AD_SEQ: no exit() !!"); delete seq; seq = 0; } } AD_ERR * AD_SEQ::init(AD_CONT * adptr) // nur moeglich fals schon eine Sequence existiert { ad_cont = adptr; if (ad_cont->gb_ali == NULL) return new AD_ERR("AD_SEQ.init() : not existing sequence\n"); this->update(); if (gb_seq){ GB_add_callback(gb_seq, GB_CB_CHANGED, (GB_CB) AD_SEQ_updatecall, (int *) this); GB_add_callback(gb_seq, GB_CB_DELETE, (GB_CB) AD_SEQ_delcall, (int *) this); }else{ timestamp = 10000000; } return 0; } AD_ERR * AD_SEQ::exit() { delete seq; const char *s = "Sequence Deleted"; seq_len = strlen(s); seq = new char[seq_len+1]; strcpy(seq, s); if (gb_seq) { // GB_remove_callback(gb_seq,GB_CB_CHANGED,(GB_CB)AD_SEQ_updatecall,(int *)this); // already deleted // GB_remove_callback(gb_seq,GB_CB_DELETE,(GB_CB)AD_SEQ_delcall,(int *)this); gb_seq = 0; gbdataptr = gb_seq; return 0; } else return new AD_ERR("AD_SEQ: exit() without init()"); } AD_ERR * AD_SEQ::update() { // holt die sequenz nocheinmal aus der Datenbank // z.B. nach update_callback notwendig long laenge,i; const char *sequenz = 0; seq_len = ad_cont->ad_ali->len(); if (!gb_seq){ gb_seq = GB_entry(ad_cont->gb_ali,"data"); if (gb_seq) nseq_but_filter = 0; } if (!gb_seq) { gb_seq = GB_entry(ad_cont->gb_ali,"bits"); if (gb_seq && GB_read_type(gb_seq) == GB_BITS) nseq_but_filter = 1; else gb_seq = 0; } if (gb_seq) { if (!nseq_but_filter) { sequenz = GB_read_char_pntr(gb_seq); laenge = GB_read_string_count(gb_seq); #if 0 if (laenge>seq_len){ seq_len = laenge; long i; for (i= seq_len; i < laenge; i++) { if (sequenz[i] != SEQ_POINT) break; } if ( i < laenge) { gb_seq = 0; sequenz = "Too long sequence: Please increase alignment length"; laenge = strlen(sequenz); }else{ laenge = seq_len; } } #endif }else{ laenge = GB_read_bits_count(gb_seq); // if (laenge>seq_len){ // seq_len = laenge; // gb_seq = 0; // sequenz = "Too long filter: Please increase alignment length"; // laenge = strlen(sequenz); // }else{ sequenz = GB_read_bits_pntr(gb_seq,'.','x'); // } nseq_but_filter = 1; } } if (!gb_seq) { if (!sequenz) sequenz = "No Sequence available................."; laenge = strlen(sequenz); } gbdataptr = gb_seq; if (laenge>seq_len) seq_len = laenge; /* overlong sequence */ delete seq; seq = (char *)malloc((size_t)seq_len + 1); strncpy(seq,sequenz,(int)seq_len); for ( i = laenge; i < seq_len; i++) { seq[i] = SEQ_POINT; } seq[seq_len] = '\0'; timestamp = time_stamp(); return 0; } char * AD_SEQ::get() { return seq; } int AD_SEQ::len() { return seq_len; } AD_ERR * AD_SEQ::put() { char *error; if (gb_seq == 0) return new AD_ERR("AD_SEQ::write not possible!"); if (nseq_but_filter) { error = (char *)GB_write_bits(gb_seq,seq,seq_len, "."); }else{ error = (char *)GB_write_string(gb_seq,seq); } if (!error) { timestamp = time_stamp(); return 0; } else { this->update(); return new AD_ERR(error); } } AD_ERR *AD_SEQ::create(void) { return 0; } int AD_SEQ::time_stamp(void) { if (!gb_seq) return 0x3fffffff; return GB_read_clock(gb_seq); } /*** EDIT Functions *******/ // dont call put operations !!!!!!!!!! AD_ERR * AD_SEQ::insert(char *text,long position, int direction) { long i; int text_len = strlen(text); if (text_len ==0) return 0; if ( position + text_len > seq_len) { return new AD_ERR("AD_SEQ::insert after end of sequence !"); } if (direction>=0){ if ( text_len + position >= seq_len) { return new AD_ERR("AD_SEQ::You cannot insert that many characters after cursor !"); } for (i = seq_len - text_len; i=position;i--) { seq[i+text_len] = seq[i]; } for (i = 0 ;i= seq_len) || (charsToDelete == 0) || (seq_len - charsToDelete < 0)) { return new AD_ERR("AD_SEQ::delete outside sequence !"); } if ((charsToDelete + position) >= seq_len) { charsToDelete = (int)(seq_len-position); } new_len = seq_len - charsToDelete; if (direction>=0){ strncpy((char *)&seq[position], (const char *)&seq[position+charsToDelete], (int)(new_len-position)); for (i = new_len; i=charsToDelete;i--) { seq[i] = seq[i-charsToDelete]; } for (i = 0; i=0){ if ((position + text_len > seq_len) || (position > seq_len)) { return new AD_ERR("AD_SEQ.replace() ERROR ! Replace after end of sequence !"); } for ( i = 0; i < text_len ; i ++) { seq[i+position] = text[i]; } }else{ if ((position - text_len < 0 ) || (position > seq_len)) { return new AD_ERR("AD_SEQ.replace() ERROR ! Replace before start of sequence !"); } for ( i = 0; i < text_len ; i ++) { seq[position - i - 1] = text[i]; } } return 0; } AD_ERR *AD_SEQ::swap_gaps(long position, char ch){ long i; for (i = position; i < seq_len; i++) { if ( !ADPP_IS_ALIGN_CHARACTER(seq[i])) break; seq[i] = ch; } for (i = position; i >= 0; i--) { if ( !ADPP_IS_ALIGN_CHARACTER(seq[i])) break; seq[i] = ch; } return 0; } AD_ERR *AD_SEQ::check_base(char chr,long position, int direction) { if (direction < 0) position --; if (position <0 && position >= seq_len) return new AD_ERR(); if (seq[position] != chr){ return new AD_ERR(); // beep beep } return 0; } AD_ERR *AD_SEQ::push(long position, int direction) { long i; long end = this->get_next_gap(position,direction); if ( end < 0 || end >= seq_len ) return 0; // end reached if (end == position) return 0; // dont push '.' int gap = '-'; int offset; if (direction < 0) { position --; end --; if (end<0) return 0; offset = 1; }else{ offset = -1; } if ( position+offset <= 0 || position+offset >= seq_len-1 || seq[position+offset] == '.') gap = '.'; for (i= end ; i!= position; i -= direction) { seq[i] = seq[i- direction]; }; seq[position] = gap; return 0; } AD_ERR *AD_SEQ::jump(long position, int direction) { int offset = 0; if (direction <0) offset = -1; long npos = get_next_base(position,-direction) + offset; int swap; position += offset; swap = seq[position]; seq[position] = seq[npos]; seq[npos] = swap; return 0; } AD_ERR *AD_SEQ::fetch(long position, int direction) { int offset = 0; if (direction <0) offset = -1; long npos = get_next_base(position,direction) + offset; if (npos <0 || npos >= seq_len) return 0; int swap; position += offset; swap = seq[position]; seq[position] = seq[npos]; seq[npos] = swap; return 0; } long AD_SEQ::get_next_base(long position, int direction) { long pos; if (direction < 0) position--; for (pos = position; pos>=0 && pos < seq_len; pos += direction){ if (!ADPP_IS_ALIGN_CHARACTER(seq[pos])) break; } if (direction<0) pos++; if (pos < 0 ) pos = 0; if (pos > seq_len) pos = seq_len; return pos; } long AD_SEQ::get_next_gap(long position, int direction) { long pos; if (direction < 0) position--; for (pos = position; pos >= 0 && pos < seq_len; pos += direction){ if (ADPP_IS_ALIGN_CHARACTER(seq[pos])) break; } if (direction<0) pos++; if (pos < 0 ) pos = 0; if (pos > seq_len) pos = seq_len; return pos; } AD_ERR *AD_SEQ::command( AW_key_mod keymod, AW_key_code keycode, char key, int direction, long &cursorpos, int & changed_flag) { static int nrepeat = 0; long oldcursorpos = cursorpos; char str[2]; str[0] = key; str[1] = 0; changed_flag = 0; if (direction > 0) { direction = 1; // may be inverted to allow right to left insert }else{ direction = -1; } if ((cursorpos > seq_len) || (cursorpos < 0 )) { return new AD_ERR("AD_SEQ.command ERROR ! Cursor out of sequence !"); } AD_EDITMODI edit_mode = this->get_ad_main()->mode; AD_ERR *ad_err = 0; long h,offset; switch (keycode) { case AW_KEY_ASCII: if (key == ' ') { long left; int l,r; left = cursorpos-1; if (left<0) left = 0; l = seq[left]; r = seq[cursorpos]; key = '-'; if (ADPP_IS_ALIGN_CHARACTER(l)) key = l; if (ADPP_IS_ALIGN_CHARACTER(r)) key = r; str[0] = key; } switch (edit_mode) { case AD_allign: if (isdigit(key)) { nrepeat = nrepeat * 10 + (key - '0'); break; } if (ADPP_IS_ALIGN_CHARACTER(key)){ long left; int l,r; left = cursorpos-1; if (left<0) left = 0; l = seq[left]; r = seq[cursorpos]; if (ADPP_IS_ALIGN_CHARACTER(l) && l!=key) { ad_err = this->swap_gaps(left,key); }else if (ADPP_IS_ALIGN_CHARACTER(r) && r!=key ) { ad_err = this->swap_gaps(cursorpos,key); }else if (!ad_err){ if (!nrepeat) nrepeat = 1; char *nstr = (char *)calloc(1,nrepeat+1); int i; for (i = 0; i< nrepeat; i++) nstr[i] = key; ad_err = this->insert(nstr,cursorpos,direction); if (!ad_err) cursorpos+=direction*nrepeat; delete nstr; } changed_flag = 1; }else{ cursorpos = get_next_base(cursorpos,direction); ad_err = check_base(key,cursorpos,direction); if (!ad_err) cursorpos+=direction; } nrepeat = 0; break; case AD_replace: ad_err = this->replace(str,cursorpos,direction); if (!ad_err) cursorpos+=direction; changed_flag = 1; break; case AD_insert: ad_err = this->insert(str,cursorpos,direction); if (!ad_err) cursorpos+=direction; if (!ad_err) changed_flag = 1; break; default: break; } break; case AW_KEY_HOME: nrepeat = 0; cursorpos = get_next_base(0,1); break; case AW_KEY_END: nrepeat = 0; cursorpos = get_next_base(seq_len,-1); break; case AW_KEY_DELETE: case AW_KEY_BACKSPACE: if (!nrepeat) nrepeat = 1; if (edit_mode != AD_allign) nrepeat = 1; if (keycode == AW_KEY_DELETE || keymod ) { h = cursorpos; }else{ h = cursorpos; if (direction > 0) { cursorpos-=nrepeat; }else{ cursorpos+= nrepeat; } if (cursorpos <0 || cursorpos >= seq_len) { cursorpos = h; if (nrepeat >1) { ad_err = new AD_ERR("Out of sequence"); } nrepeat = 0; break; } h = cursorpos; } switch (edit_mode) { case AD_allign: { int repeat; ad_err = 0; if (direction>=0) offset = 0; else offset = -nrepeat; for (repeat = nrepeat-1; repeat>=0; repeat--) { if (!ADPP_IS_ALIGN_CHARACTER(seq[h+offset+repeat])){ ad_err = new AD_ERR("You cannot remove bases in align mode"); break; } } if (ad_err) break; } case AD_replace: case AD_insert: ad_err = this->remove(nrepeat,h,direction); if (!ad_err) changed_flag = 1; break; default: break; } nrepeat = 0; break; case AW_KEY_LEFT: case AW_KEY_RIGHT: direction = 1; if (keycode == AW_KEY_LEFT) direction = -1; if (keymod == 0) { if (!nrepeat) nrepeat = 1; cursorpos+= direction * nrepeat; nrepeat = 0; break; } nrepeat = 0; if (direction>=0) offset = 0; else offset = -1; if (keymod & AW_KEYMODE_CONTROL) { // push pull if (ADPP_IS_ALIGN_CHARACTER(seq[cursorpos+offset])){ // pull operation h = this->get_next_gap( cursorpos,-direction); }else{ // push h = cursorpos; } ad_err = this->push(h,direction); if (!ad_err) { changed_flag = 1; cursorpos += direction; } }else if (keymod & AW_KEYMODE_ALT) { // jump fetch if (ADPP_IS_ALIGN_CHARACTER(seq[cursorpos+offset])){ // fetch ad_err = fetch(cursorpos,direction); }else if (ADPP_IS_ALIGN_CHARACTER(seq[cursorpos-1-offset])){ ad_err = jump(cursorpos,direction); }else{ ad_err = new AD_ERR("You can only jump single bases !!!"); } if (!ad_err) { changed_flag = 1; cursorpos += direction; } }else{ if (ADPP_IS_ALIGN_CHARACTER(seq[cursorpos+offset])){ cursorpos = get_next_base(cursorpos,direction); }else{ cursorpos = get_next_gap(cursorpos,direction); } } break; default: break; } if (ad_err) cursorpos = oldcursorpos; if (cursorpos < 0 ) cursorpos = 0; if (cursorpos > seq_len) cursorpos = seq_len; return ad_err; } AD_ERR * AD_SEQ::changemode(AD_EDITMODI mod) { // check rights // not implemented this->get_ad_main()->mode = mod; return 0; } AD_EDITMODI AD_SEQ::mode() { return this->get_ad_main()->mode; } /*************************** AD_CONT container wird mit spezies,alignment initialisiert entspricht ungefaehr dem ali_xxx container der ARB DB ********************/ AD_CONT::AD_CONT() { ad_species =0; ad_ali =0; gb_ali =0; gb_species = 0; } AD_CONT::~AD_CONT() { // vergessen ein exit zu machen ! if (ad_species) { new AD_ERR("AD_CONT: NO exit() !!",CORE); } } AD_ERR * AD_CONT::init(AD_SPECIES * adptr1,AD_ALI * adptr2) { if (!con_insert(adptr1,adptr2)) // test ob container schoneinmal initialisiert return new AD_ERR("AD_CONT::init ONLY ONE AD_CONT PER SPECIES/ALIGN"); ad_species = adptr1; ad_ali = adptr2; gb_species = ad_species->gb_species; gb_ali = GB_entry(gb_species,ad_ali->name()); if (gb_ali) { (ad_species->count) ++; // in species eintragen (ad_ali->count) ++; }else{ con_remove(ad_species,ad_ali); } AD_READWRITE::gbdataptr = gb_ali; return 0; } AD_ERR *AD_CONT::create(AD_SPECIES * adptr1,AD_ALI *adptr2) { GBDATA *erg = GBT_add_data(adptr1->gb_species,adptr2->name(),"data", GB_STRING); if (!erg) return new AD_ERR(GB_await_error()); return this->init(adptr1,adptr2); } AD_ERR * AD_CONT::exit() { if (ad_species && gb_ali) { ad_species->count --; // verweis in AD_SPEC loeschen ad_ali->count --; con_remove(ad_species,ad_ali); } ad_species = 0;ad_ali = 0; AD_READWRITE::gbdataptr = 0; return 0; } int AD_CONT::eof(void) { if (gb_ali) return 0; return 1; } int AD_CONT::con_insert(AD_SPECIES * adptr1,AD_ALI * adptr2) { class CONTLIST *cont; cont = adptr1->container; return cont->insert(adptr1,adptr2); // ist der selbe container schon vorhanden ? } void AD_CONT::con_remove(AD_SPECIES * adptr1,AD_ALI * adptr2) // entfernt ein AD_CONT aus der Liste in AD_species { class CONTLIST *cont; cont = adptr1->container; cont->remove(adptr1,adptr2); // entfernt den container } int AD_CONT::get_cach_flag() // implementiert um mehrfachzeiger zu vermeiden { AD_MAIN * adptr; adptr = ad_species->ad_main; return adptr->get_cach_flag(); } ./arbsrc_9167/ARBDBPP/adspecies.cxx0000644012664100000130000001700611440743001016673 0ustar arb_buildcoders#include #include #include #include #include #include #include "arbdb++.hxx" /*********************** *************************************************************** class AD_SPECIES ******************************************* *******************************************************/ AD_SPECIES::AD_SPECIES() { ad_main =0; gb_spdata = 0; gb_species = 0; gb_name = 0; last = 0; count = 0; container = new CONTLIST; spname = 0; } AD_SPECIES::~AD_SPECIES() // callbacks nur innerhalb von transaktionen releasen ->exit // gibt speicherplatz frei { if (ad_main) new AD_ERR("AD_SPECIES: No exit() !!",CORE); } AD_ERR * AD_SPECIES::exit() { if (ad_main) { release(); delete container; } ad_main = 0; return 0; } AD_ERR * AD_SPECIES::error() // interne funktion, die testet ob ein Fehler in der // anwendung aufgetreten ist // Funktionen wie next, ... die auf andere spezies initialisieren // duerfen nicht veraendert werden,solange container daranhaengen // oder aufgerufen wenn schon das letzte erreicht. { if (count > 0) { return new AD_ERR("AD_SPECIES: existing Subobjects ! No change of species allowed\n",CORE); } if (last == 1) return new AD_ERR("AD_SPECIES: already at EOF !",CORE); return 0; } AD_ERR * AD_SPECIES::init(AD_MAIN * gb_ptr) // stellt verknuepfung mit ubergeordneter Klasse her // // default einstellung moeglich ni ->initpntr() { if (ad_main != 0) { return new AD_ERR("AD_SPECIES: no reinit\n"); } if (gb_ptr->gbd) { ad_main = gb_ptr; gb_spdata = gb_ptr->species_data; last = count = 0; AD_READWRITE::gbdataptr = 0; return 0; } else { return new AD_ERR("SPECIES init (NULL)\n"); } } AD_ERR *AD_SPECIES::first() { //erstes spezies initialisieren if (ad_main) { gb_species = GB_entry(gb_spdata, "species"); //erstes species AD_SPECIES::initpntr(); return 0; } return new AD_ERR("AD_species first: NO AD_MAIN\n"); } void AD_SPECIES::initpntr() // gb_spezies muss initialisiert sein // je nach AD_fast wird das objekt initialisiert { long a; if (!gb_species) { last = 1; spname = 0; gb_name = 0; //kein spezies gefunden } else { last = 0; gb_name = GB_entry(gb_species, "name"); //name und flag cachen spname = GB_read_string(gb_name); if (ad_main->AD_fast == MINCACH) { a = GB_read_usr_private(gb_species); // Wieviele Variablen existieren a ++; // auf gb_species GB_write_usr_private(gb_species,a); } AD_READWRITE::gbdataptr = gb_species; GB_add_callback(gb_species, GB_CB_DELETE, (GB_CB) AD_SPECIES_destroy, (int *) this); GB_add_callback(gb_name, GB_CB_CHANGED, (GB_CB) AD_SPECIES_name_change, (int *) this); //callback in DB mit routine die beim loeschen der species // aufgerufen wird(speicherfreigaben) } } AD_ERR * AD_SPECIES::find(const char *path) // sucht nach species mit namen = path { error(); AD_SPECIES::release(); // speicherplatz freigeben` gb_species = GBT_find_species_rel_species_data(ad_main->species_data,path); AD_SPECIES::initpntr(); return 0; } void AD_SPECIES::release() // gibt den speicherplatz des objektes wieder frei // sowie den in der DatenBank belegten speicherplatz { long a; if (count > 0) new AD_ERR("AD_SPECIES: no change of object with subobjects !",CORE); if (spname) delete spname; if (gb_species) { GB_remove_callback(gb_species,GB_CB_DELETE,(GB_CB)AD_SPECIES_destroy,(int *)this); GB_remove_callback(gb_name,GB_CB_CHANGED,(GB_CB)AD_SPECIES_name_change,(int *)this); // altes species wird freigegeben -> callback entfernen if (ad_main->get_cach_flag() == MINCACH ) { // wenn nur ein speichersparendenr Zugriff besteht // Speicerplatz freigeben -> Muliteditoraufrufe // eines users a = GB_read_usr_private(gb_species); if (a == 1) { // einziger verweis // lokalen cache freigeben GB_release(gb_species); } GB_write_usr_private(gb_species,--a); } AD_READWRITE::gbdataptr = 0; } } int AD_SPECIES_destroy(GBDATA *gb_species,AD_SPECIES *ad_species) { // Diese Funktion wird nach einem commit transaction aufgerufen, wenn // das entsprechende species in der DB geloescht wurde // if (ad_species->gb_species != gb_species) { // muessen uebereinstimmen new AD_ERR(" strange CALLBACK occurred - int AD_SPECIES",CORE); } if (ad_species->spname) delete ad_species->spname; ad_species->spname = 0; ad_species->gb_species = 0; ad_species->gbdataptr = 0; // hier stehehn weitere comandos die beim loeschen // eines species ausgefuehrt werden sollen // (z.B.) untergeordnete Klassen return 0; } int AD_SPECIES_name_change(GBDATA *gb_name,AD_SPECIES *ad_species) { // Diese Funktion wird nach einem commit transaction aufgerufen, wenn // das entsprechende species in der DB geloescht wurde // if (ad_species->spname) delete ad_species->spname; ad_species->spname = GB_read_string( gb_name ); // reread name return 0; } AD_ERR * AD_SPECIES::create(const char *species_name) { GBDATA *species; if (strlen(species_name) < 2) return new AD_ERR("AD_SPECIES::too short name"); species = GBT_find_or_create_species_rel_species_data(gb_spdata,species_name); gb_species = species; initpntr(); return 0; } const char * AD_SPECIES::name() { if (AD_SPECIES::gb_species != 0) return spname; return "deleted"; } int AD_SPECIES::flag() { if (gb_species != 0) return GB_read_flag(gb_species); return 0; } const char * AD_SPECIES::fullname() { GBDATA *gb_ptr; gb_ptr = GB_entry(gb_spdata,"full_name"); if (gb_ptr) // fullname existiert return GB_read_char_pntr(gb_ptr); return 0; } AD_ERR * AD_SPECIES::next() // initialisiert objekt auf naechstes species oder erstes { error(); if (!gb_species && last == 0) first(); AD_SPECIES::release(); // speicherplatz freigeben gb_species = GB_nextEntry(gb_species); AD_SPECIES::initpntr(); return 0; } AD_ERR *AD_SPECIES::firstmarked() { if (ad_main ) { gb_species = GBT_first_marked_species_rel_species_data(gb_spdata); initpntr(); return 0; } return new AD_ERR("AD_SPECIES::firstmarked() but no init()!",CORE); } AD_ERR * AD_SPECIES::nextmarked() // naechstes markiertes species oder erstes markiertes { if ((!gb_species && (last ==0))) { gb_species = GBT_first_marked_species_rel_species_data(gb_spdata); initpntr(); return 0; } else { release(); gb_species = GBT_next_marked_species(gb_species); initpntr(); return 0; } } int AD_SPECIES::eof() { return last; } void AD_SPECIES::operator =(const AD_SPECIES& right) { release(); // free left side ad_main = right.ad_main; gb_spdata = right.gb_spdata; gb_species = right.gb_species; this->initpntr(); } int AD_SPECIES::time_stamp(void) { if (gb_species != 0) return GB_read_clock(gb_species); new AD_ERR("AD_SPECIES::time_stamp - no species selected"); return 0; } ./arbsrc_9167/ARBDBPP/adtali.cxx0000644012664100000130000001120011440743001016157 0ustar arb_buildcoders#include #include // #include #include #include "adtools.hxx" ADT_ALI::ADT_ALI() { gapsequence = 0; gapshowoffset = 0; gaprealoffset = 0; inited = 0; } ADT_ALI::~ADT_ALI() { } void ADT_ALI::init(AD_MAIN *ad_maini) { AD_ALI::init(ad_maini); int ali_len = (int)(AD_ALI::len()); if (ali_len<0) ali_len = 0; gapsequence = (char *) malloc(ali_len+1); // gap_init gapshowoffset = (int *) calloc(ali_len,sizeof(int)); gaprealoffset = (int *) calloc(ali_len,sizeof(int)); // testversion leerer gap for (int i = 0; i < ali_len; i++) { gapsequence[i] = NOGAP_SYMBOL; gapshowoffset[i] = 0; gaprealoffset[i] = 0; } gapshowoffset_len = ali_len; inited = 1; } // Funktionen auf gapsequence AD_ERR * ADT_ALI::gap_make(int position,int length) { int offset_sum = 1; int i,counter = 0; if (!((position+length > AD_ALI::len()) || gap_inside(position,position + length))) { for (i = position;i gap sequenz muss erneuert werden return 0; } char * ADT_ALI::gap_make_real_sequence(char *realseq,const char *showseq) { realseq=realseq;showseq=showseq; return 0; } char * ADT_ALI::gap_make_show_sequence(const char *realseq,char *showseq) { realseq=realseq;showseq=showseq; return 0; } int ADT_ALI::gap_inside(int realposition) { GBUSE(realposition); return 0; // if (gapsequence[realposition] != GAP_SYMBOL) // return 0; // return 1; } int ADT_ALI::gap_inside(int showposition1,int showposition2) { // if (gapshowoffset[showposition1] != gapshowoffset[showposition2]) // return 1; GBUSE(showposition1);GBUSE(showposition2); return 0; } int ADT_ALI::gap_behind(int showposition) { /* returns 1 if any excluded data is after showposition */ // if (gapshowoffset[showposition] != gapshowoffset[gapshowoffset_len-1]) { // return 1; } GBUSE(showposition); return 0; } int ADT_ALI::gap_realpos(int showposition) { return showposition; // return (showposition + gapshowoffset[showposition]); } int ADT_ALI::gap_showpos(int realposition) { return realposition; // return (realposition - gaprealoffset[realposition]); } #if 0 void ADT_ALI::operator = (ADT_ALI &adtali) { // hier gibt es probleme, wenn speicherplatz noch nicht reserviert wurde gapsequence = adtali.gapsequence; gaprealoffset = adtali.gaprealoffset; gapshowoffset = adtali.gapshowoffset; (AD_ALI)*this = (AD_ALI &)adtali; } #endif ./arbsrc_9167/ARBDBPP/adt_edit.cxx0000644012664100000130000011270711440743001016514 0ustar arb_buildcoders #include #include #include // #include #include #include #include "adtools.hxx" /*************************************************************************** class ADT_COMPLEMENT ***************************************************************************/ ADT_COMPLEMENT::ADT_COMPLEMENT() { // ad_species = NULL; species_name = NULL; alignment_type = NULL; alignment_name = NULL; sequence = NULL; char_array = NULL; sequence_buffer = NULL; index_buffer = NULL; adt_acid = ADT_ALITYPE_UNDEFINED; complement_seq = NO; invert_seq = NO; seq_is_complemented = NO; seq_is_inverted = NO; take_cursor = NO; take_borders = NO; remove_gaps_points = NO; which_button = NO_BUTTON; alignment_length = max_value; //max_value sequence_length = 0; left_border = 0; right_border = 0; } // ******************* ADT_COMPLEMENT::~ADT_COMPLEMENT() { // delete char_array; } // ******************* char * ADT_COMPLEMENT::make_char_array() { char *local_char_array = new char[256]; for( int i=0 ; i <= 255 ; i++ ) { local_char_array[i] = (char) i; } return local_char_array; } // ******************* AD_ERR * ADT_COMPLEMENT::complement_compile(void) { //Veraendert Zeichensatz delete char_array; char_array = make_char_array(); char_array[(int)'C'] = 'G'; char_array[(int)'c'] = 'g'; char_array[(int)'G'] = 'C'; char_array[(int)'g'] = 'c'; char_array[(int)'U'] = 'A'; char_array[(int)'u'] = 'a'; char_array[(int)'T'] = 'A'; char_array[(int)'t'] = 'a'; char_array[(int)'M'] = 'K'; char_array[(int)'m'] = 'k'; char_array[(int)'R'] = 'Y'; char_array[(int)'r'] = 'y'; // char_array[(int)'W'] = 'W'; //der Vollstaendigkeit halber // char_array[(int)'w'] = 'w'; //der Vollstaendigkeit halber // char_array[(int)'S'] = 'S'; //der Vollstaendigkeit halber // char_array[(int)'s'] = 's'; //der Vollstaendigkeit halber char_array[(int)'Y'] = 'R'; char_array[(int)'y'] = 'r'; char_array[(int)'K'] = 'M'; char_array[(int)'k'] = 'm'; char_array[(int)'V'] = 'B'; char_array[(int)'v'] = 'b'; char_array[(int)'H'] = 'D'; char_array[(int)'h'] = 'd'; char_array[(int)'D'] = 'H'; char_array[(int)'d'] = 'h'; char_array[(int)'B'] = 'V'; char_array[(int)'b'] = 'v'; // char_array[(int)'N'] = 'N'; //der Vollstaendigkeit halber // char_array[(int)'n'] = 'n'; //der Vollstaendigkeit halber // char_array[(int)'X'] = 'X'; //der Vollstaendigkeit halber // char_array[(int)'x'] = 'x'; //der Vollstaendigkeit halber // char_array[(int)'.'] = '.'; //der Vollstaendigkeit halber switch(adt_acid) { case ADT_ALITYPE_RNA: char_array[(int)'A'] = 'U'; char_array[(int)'a'] = 'u'; break; case ADT_ALITYPE_DNA: char_array[(int)'A'] = 'T'; char_array[(int)'a'] = 't'; break; default: break; } return 0; } // ******************* AD_ERR * ADT_COMPLEMENT::complement_buffers(void) { //Puffer fuer Seq + Index char *seq_buff; long *ind_buff; long buffer_len = 0; //buffer_len = (long)strlen(sequence); buffer_len = sequence_length; seq_buff = (char *)calloc( ((int)buffer_len + 1), sizeof(char) ); memset(seq_buff, (int)'.', ((int)buffer_len)); sequence_buffer = seq_buff; ind_buff = (long *) calloc( ((int)buffer_len + 1), sizeof(long) ); ind_buff[buffer_len] = -1; index_buffer = ind_buff; return 0; } /*************************************************************************** class ADT_EDIT ***************************************************************************/ ADT_EDIT::ADT_EDIT() { selection = 0; found_matchp = 0; actual_cursorpos_editor = -1; replace_overflow = 0; mistakes_found = 0; seq_equal_match = 1; db_status = ADT_DB_CLOSED; border_overflow = NO; } ADT_EDIT::~ADT_EDIT() { } /*************************************************************************** class ADT_SEARCH ***************************************************************************/ ADT_SEARCH::ADT_SEARCH() { seq_anfang = NULL; save_sequence = NULL; seq_index_start = NULL; matchpattern_buffer = NULL; search_array = NULL; replace_string = NULL; mistakes_allowed = 0; gaps = -1; //gaps werden nicht ignoriert upper_eq_lower = 0; //gross/KLEIN-Schreibung, t_equal_u = 0; //t und u gleichbehandeln, search_start_cursor_pos = 0; replace_start_cursor_pos = 0; search_direction = ADT_SEARCH_FORWARD; //Vorwaertssuche replace_option = ADT_NO_REPLACE; //Kein REPLACE replace_loop_sequence = ADT_DONT_STOPP_REPLACE; found_cursor_pos = 0; string_replace = 0; } ADT_SEARCH::~ADT_SEARCH() { delete search_array; delete matchpattern_buffer; } // ************************************* char * ADT_SEARCH::show_search_array() { search_array = new char[256]; for( int i=0 ; i <= 255 ; i++ ) { search_array[i] = (char) i; } return search_array; } // *********************************** //Veraendert Zeichensatz, Liefert Matchpattern ohne Gaps AD_ERR * ADT_SEARCH::compile(void) { delete search_array; search_array = show_search_array(); if(t_equal_u) { search_array[(int)'U'] = 'T'; search_array[(int)'u'] = 't'; } if(upper_eq_lower) { int char_pos; for( char_pos = 'a'; char_pos <= 'z' ; char_pos++) { search_array[char_pos] -= ( 'a' - 'A' ); } } ///////////////////////////////////Matchpattern WITHOUT gaps. if((gaps == 1) || (gaps == 2)) { delete matchpattern_buffer; matchpattern_buffer=(char *)calloc(strlen(matchpattern)+1,sizeof(char)); if(matchpattern_buffer != NULL) { char *matchp_copy_loop; char *matchp_buffer_start, *matchp_buffer_loop; matchp_buffer_start = matchp_buffer_loop = matchpattern_buffer; for( matchp_copy_loop = matchpattern ; *matchp_copy_loop != '\0' ; matchp_copy_loop++ ) { if(*matchp_copy_loop != '-') { *matchp_buffer_loop = *matchp_copy_loop; matchp_buffer_loop++; } } *matchp_buffer_loop = '\0'; matchpattern = matchp_buffer_start; } } return 0; } // ************************************************************************** // Funktion liefert die Sequenz entsprechend OHNE Gaps !!!! // (Sequenz wird ohne Gaps in ein Puffer-Array geschrieben, // => Pointer auf Sequenz-Puffer) // // ************************************************************************** AD_ERR * ADT_SEQUENCE::make_sequence_buffer(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit) { //-------------------------------------------------start sequencebuffer char *seq_anfang, *seq_copy_loop; char *seq_buffer_start, *seq_buffer_loop; //buffer long *seq_index_start, *seq_index_loop; //index buffer seq_anfang = ptr_adt_search->seq_anfang; char source; //------------------------------------------memory for sequence-buffer seq_buffer_start = (char *)calloc(strlen(seq_anfang)+1,sizeof(char)); if (!seq_buffer_start) { // printf("\n**** ERROR sequence-buffer no memory allocated"); } seq_buffer_loop = seq_buffer_start; //------------------------------------------------------end seq_buffer //---------------------------------------------memory for index-buffer seq_index_start = (long *) calloc(strlen(seq_anfang)+1,sizeof(long)); if (!seq_index_start) { // printf("\n**** ERROR index-buffer no memory allocated"); } seq_index_loop = seq_index_start; //----------------------------------------------------end index_buffer for( seq_copy_loop = seq_anfang ; (source = *seq_copy_loop) ; seq_copy_loop++ ) { if(*seq_copy_loop != '-') { *(seq_buffer_loop++) = source; //kopiert Zeichen *(seq_index_loop++) = seq_copy_loop - seq_anfang; //Index des Zeichens } } *seq_buffer_loop = '\0'; *seq_index_loop = -1; ptr_adt_search->seq_anfang = seq_buffer_start; //SEQUENCE START //--------------------------------------------------end sequencebuffer // -------------------------------------neu search/replace cursorstart long var_cursorpos_editor = ptr_adt_edit->actual_cursorpos_editor; //========================!! // Fuer die Neuberechnung der Startpos. long buffer_index = 0; //zaehlvariable fuer //Cursorberechnung for( buffer_index = 0 ; (seq_index_start[buffer_index] < var_cursorpos_editor) && (seq_index_start[buffer_index] != -1 ) ; buffer_index++ ) { } // "buffer_index" //somit steht hier der Index, unter dessen //Adresse die Cursorposition steht, die //entweder groesser (Cursor stand auf einem GAP) //oder gleich (Cursor stand auf einem Zeichen) //der Cursorpos im Editor ist, vielmehr war. if( ptr_adt_search->search_direction == ADT_SEARCH_FORWARD) { if( (seq_index_start[buffer_index] == var_cursorpos_editor) && (var_cursorpos_editor > 0) ) { ptr_adt_search->search_start_cursor_pos = buffer_index + 1; } else { ptr_adt_search->search_start_cursor_pos = buffer_index; } } // end if else { ptr_adt_search->search_start_cursor_pos = buffer_index - 1; } // end else delete ptr_adt_search->seq_index_start; ptr_adt_search->seq_index_start = seq_index_start; //indexarray ptr_adt_edit->actual_cursorpos_editor = buffer_index; //----------------------------------------------------end cursorstart return 0; } // ************************************************************************** // ************************************************************************** // // ************************************************************************** AD_ERR * ADT_SEQUENCE::rewrite_from_sequence_buffer(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit) { char *seq_anfang; //Sequenz char *seq_buffer_start; //Sequenz ohne GAPS long *seq_index_start; //index buffer, siehe unten! long found_cursor_pos_buffer = ptr_adt_search->found_cursor_pos; //--------------------------------found_cursor_pos nach Suche ohne Gaps if (( ptr_adt_edit->found_matchp == 1 ) && ( ptr_adt_search->replace_option == ADT_NO_REPLACE )) { ptr_adt_search->found_cursor_pos = ptr_adt_search->seq_index_start[found_cursor_pos_buffer]; } //-------------------------------------------------END found_cursor_pos //---------------------------------------rewrite Seq-Puffer auf Sequenz if( ptr_adt_search->replace_option != ADT_NO_REPLACE ) { seq_buffer_start = ptr_adt_search->seq_anfang; seq_index_start = ptr_adt_search->seq_index_start; seq_anfang = get(); long buffer_index = 0; //zaehlvariable char source; for( ; (source = seq_buffer_start[buffer_index]) ; buffer_index++ ) { *(seq_anfang + seq_index_start[buffer_index]) = source; } ptr_adt_search->seq_anfang = seq_anfang; //-------------------------------------------------end rewrite char *replace_anfang = ptr_adt_search->replace_string; long var_start_cursor_pos = ptr_adt_search->replace_start_cursor_pos; //--------------------------------------------cursorpos_editor long buffer_end_replace = var_start_cursor_pos + strlen(replace_anfang); ptr_adt_edit->actual_cursorpos_editor = ptr_adt_search->seq_index_start[buffer_end_replace-1]; // nur bei Suchrichtung // "Vorwaerts" !!! //----------------------------------------end cursorpos_editor free(seq_buffer_start); ptr_adt_search->seq_anfang = NULL; free((char *)seq_index_start); ptr_adt_search->seq_index_start = NULL; } //--------------------------------------------------------END rewrite return 0; } //-----------------------------------------END rewrite_from_sequence_buffer() // ************************************************************************** // ************************************************************************** // // ************************************************************************** AD_ERR * ADT_SEQUENCE::show_edit_seq_search(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit) { AD_ERR *ad_err; long replace_loop = ADT_DONT_STOPP_REPLACE; //default // ADT_DONT_STOPP_REPLACE == 1 !! ptr_adt_search->seq_anfang = get(); // Sicherheitsabfrage fuer die // Rueckwaertssuche !! if(ptr_adt_search->search_start_cursor_pos > len()) { //Cursorpos > Sequenzlaenge? ptr_adt_search->search_start_cursor_pos = len() - 1; } //-----------------------------------------------------Sequenz puffern if( (ptr_adt_search->gaps == 0) || (ptr_adt_search->gaps == 1) ) { make_sequence_buffer(ptr_adt_search, ptr_adt_edit); /////////////////////////////////////////////////// } //end if, >>Sequenz<< OHNE Gaps. //---------------------------------------------------- end seq puffern //---------------------------------Sicherungskopie der Seq fuer REPLACE if( ptr_adt_search->replace_option != ADT_NO_REPLACE ) { ptr_adt_search->save_sequence = strdup(ptr_adt_search->seq_anfang); } //--------------------------------------------------END Sicherungskopie //---------------------------------------korrigiert die Start Cursorpos // bis Ende.., da erst search(), dann replace() if( ( (ptr_adt_search->replace_option == ADT_REPLACE_ONLY) || (ptr_adt_search->replace_option == ADT_REPLACE_AND_SEARCH_NEXT)|| (ptr_adt_search->replace_option == ADT_REPLACE_REST_SEQUENCE)|| (ptr_adt_search->replace_option == ADT_REPLACE_REST_EDITOR) ) && (ptr_adt_search->search_start_cursor_pos > 0) ) { ptr_adt_search->search_start_cursor_pos--; } //----------------------------------------------------END start_cursor //==================================================================== //=================================================while(replace_loop) long max_loop = this->seq_len; do { // END Sequenz/Editor //------------------------------------------------------SEARCH ptr_adt_edit->found_matchp = 0; show_edit_search(ptr_adt_search, ptr_adt_edit); ////////////////////////////////////////////// //------------------------------------------------- END SEARCH if( ((ptr_adt_search->replace_option == ADT_REPLACE_ONLY) || (ptr_adt_search->replace_option == ADT_REPLACE_AND_SEARCH_NEXT)) && (ptr_adt_edit->found_matchp == 0) ) { ptr_adt_edit->seq_equal_match = 0; ptr_adt_edit->found_matchp = 1; return 0; } // end if ( ... == ADT_REPLACE_ONLY) else { ptr_adt_search->replace_start_cursor_pos = ptr_adt_search->found_cursor_pos; } //---------------------------------------------------- REPLACE if( (ptr_adt_edit->found_matchp == 1) && (ptr_adt_search->replace_option != ADT_NO_REPLACE) ) { ad_err = show_edit_replace(ptr_adt_search,ptr_adt_edit); ////////////////////////////////////////////// if(ad_err) return ad_err; } //-------------------------------------------------END REPLACE //------------------------------------------repl and find next if( (ptr_adt_search->replace_option == ADT_REPLACE_AND_SEARCH_NEXT) && (ptr_adt_search->string_replace == 1) ) { ptr_adt_search->string_replace = 0; ptr_adt_search->search_start_cursor_pos = ptr_adt_edit->actual_cursorpos_editor + 1; ptr_adt_search->replace_option = ADT_NO_REPLACE; } //---------end repl/find next else { if( (ptr_adt_search->replace_option == ADT_REPLACE_REST_SEQUENCE) || (ptr_adt_search->replace_option == ADT_REPLACE_REST_EDITOR) ) { replace_loop = ptr_adt_search->replace_loop_sequence; ptr_adt_search->search_start_cursor_pos = ( ptr_adt_edit->actual_cursorpos_editor + 1 ); // ABBRECHEN, sonst naechste Sequenz if( replace_loop == ADT_STOPP_REPLACE ) { ptr_adt_edit->found_matchp = 1; } if (max_loop-- <0) replace_loop = ADT_STOPP_REPLACE; } else { replace_loop = ADT_STOPP_REPLACE; } } } while(replace_loop); //============================================================end loop //==================================================================== delete ptr_adt_search->save_sequence; //Sicherungskopie loeschen //-----------------------------------------Zurueckschreiben aus Puffer if( (ptr_adt_search->gaps == 0) || (ptr_adt_search->gaps == 1) ) { rewrite_from_sequence_buffer(ptr_adt_search, ptr_adt_edit); ///////////////////////////////////////////// } //end if, >>Sequenz<< OHNE Gaps. //---------------------------------------------------------end rewrite //----------------------------------- zurueckschreiben in die Datenbank if( (ptr_adt_search->string_replace == 1) || (ptr_adt_edit->db_status == ADT_DB_OPEN) ) { ad_err = put(); if(ad_err) { // printf("**** ERROR ADT_SEARCH show_edit_replace(), put() \n"); return ad_err; } show_update(); } //---------------------------------------------------end write into DB if( (ptr_adt_edit->found_matchp == 1) && (ptr_adt_search->string_replace == 0) ) { ptr_adt_edit->actual_cursorpos_editor = ptr_adt_search->found_cursor_pos; } // nichts gefunden, //---------------------------------- cursorpos in next sequence if( (ptr_adt_edit->found_matchp == 0) || (ptr_adt_search->replace_option == ADT_REPLACE_REST_EDITOR) ) { if( ptr_adt_search->search_direction == ADT_SEARCH_FORWARD ) { ptr_adt_edit->actual_cursorpos_editor = 0; ptr_adt_search->search_start_cursor_pos = 0; //startet naechste Seq bei Cursorpos = 0 } if( ptr_adt_search->search_direction == ADT_SEARCH_BACKWARD ) { ptr_adt_edit->actual_cursorpos_editor = max_value; ptr_adt_search->search_start_cursor_pos = max_value; } } //-------------------------------end cursorpos in next sequence return 0; } // end func show_edit_seq_search() // ************************************************************************** // ************************************************************************** // // ************************************************************************** AD_ERR * ADT_SEQUENCE::show_edit_search(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit) { char *seq_anfang, *seq_loop_start, *seq_loop_ptr; // Suche Sequenz char *matchp_anfang, *matchp_loop_ptr; // Suche // Matchpattern long matchp_len; long vorgabefehler, realfehler=0, equal_chars; long seq_empty_var; long search_var; search_var = ptr_adt_search->search_direction; matchp_anfang = ptr_adt_search->matchpattern; matchp_len = strlen(matchp_anfang); seq_empty_var=0; vorgabefehler = ptr_adt_search->mistakes_allowed; seq_anfang = ptr_adt_search->seq_anfang; long var_start_cursor_pos = ptr_adt_search->search_start_cursor_pos; seq_loop_start = seq_anfang + var_start_cursor_pos; //---------------------------------------------------------start search for( ; (*seq_loop_start != '\0') && (seq_loop_start >= seq_anfang) ; seq_loop_start+=search_var ) { realfehler = 0; equal_chars = 0; seq_loop_ptr=seq_loop_start; for( matchp_loop_ptr=matchp_anfang ; *matchp_loop_ptr != '\0' ; matchp_loop_ptr++ ) { unsigned char index_seq = *(unsigned char *)seq_loop_ptr; unsigned char index_mat=*(unsigned char*)matchp_loop_ptr; char i_s = ptr_adt_search->search_array[(int)index_seq]; char i_m = ptr_adt_search->search_array[(int)index_mat]; if( i_m == '?' ) { // Wilde Karten equal_chars++; } else if( i_s != i_m ) { realfehler++; } else { equal_chars++; } // mehr Fehler als erlaubt? if(realfehler > vorgabefehler) { ptr_adt_edit->found_matchp = 0; break; } //gefunden? (noetig, da Restsequenz //kuerzer //als Suchstringlaenge sein kann.) //Fehler + Uebereinstimmungen = Laenge //des Matchpatterns if(realfehler+equal_chars == matchp_len) { ptr_adt_edit->found_matchp = 1; ptr_adt_edit->mistakes_found = realfehler; break; } seq_loop_ptr++; // Ende der Sequenz erreicht? if( *seq_loop_ptr == '\0') { // seq_empty_var = 1; break; } } // end for() if( *(seq_loop_ptr+1) == '\0') { ptr_adt_search->replace_loop_sequence = ADT_STOPP_REPLACE; } //----------------------------------------search end found y/n //---------------------------------found cursorpos in sequence if( ptr_adt_edit->found_matchp == 1) { ptr_adt_search->found_cursor_pos = seq_loop_start - seq_anfang; break; } //-----------------------------------end cursorpos in sequence if( (ptr_adt_search->replace_option == ADT_REPLACE_ONLY) || (ptr_adt_search->replace_option == ADT_REPLACE_AND_SEARCH_NEXT)) { break; //for schleife nur einmal ausfuehren. } } // end for() //----------------------------------------------------------end search return 0; } // ************************************************************************** // ************************************************************************** // // Ueberprueft zuerst, ob die Sequenz ab der Cursorposition mit dem // Matchpattern uebereinstimmt. Wenn ja, dann erfolgt die Ersetzung. // Mit GAPS: durch remove(), und insert() der AD_SEQ-Klasse; // Ohne Gaps: direktes ueberschreiben im Sequenzpuffer, danach // ueberschreiben der Sequenzkopie im Cache. // Beide Varianten schreiben die geaenderte Sequenz mittels put() in // die Datenbank zurueck. (Security-Level nicht vergessen!!) // // ************************************************************************** AD_ERR * ADT_SEQUENCE::show_edit_replace(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit) { char *seq_anfang, *seq_loop_start, *seq_loop_ptr; // Sequenz char *matchp_anfang; char *replace_anfang, *replace_loop_ptr; // Replace-String AD_ERR *ad_err; matchp_anfang = ptr_adt_search->matchpattern; replace_anfang = ptr_adt_search->replace_string; seq_anfang = ptr_adt_search->seq_anfang; ptr_adt_search->string_replace = 0; long var_start_cursor_pos = ptr_adt_search->replace_start_cursor_pos; seq_loop_start = seq_anfang + var_start_cursor_pos; seq_loop_ptr = seq_loop_start; //============================================================REPLACE long match_len = strlen(ptr_adt_search->matchpattern); long replace_len = strlen(ptr_adt_search->replace_string); if( (match_len == replace_len) || (ptr_adt_search->gaps == 0) || (ptr_adt_search->gaps == 1) ) { //----------------------------------------------------replace seq_loop_ptr = seq_loop_start; for( replace_loop_ptr = replace_anfang ; *replace_loop_ptr != '\0' ; replace_loop_ptr++ ) { *seq_loop_ptr = *replace_loop_ptr; seq_loop_ptr++; } // end for() } // end if(match_len == replace_len) else { //-----------------------------------------------------remove ad_err = remove( strlen(matchp_anfang), (int)var_start_cursor_pos,1 ); if (ad_err) { // Fehler bei remove replace(ptr_adt_search->save_sequence,0,1); // printf("**** ERROR REPLACE remove() with GAPS\n"); free(ptr_adt_search->save_sequence); return ad_err; } //-----------------------------------------------------insert else if( strlen(replace_anfang) != 0 ){ ad_err = insert( replace_anfang, (int)var_start_cursor_pos ,1 ); if (ad_err) { // Fehler bei replace replace(ptr_adt_search->save_sequence,0,1); // printf("**** ERROR REPLACE insert() with GAPS\n"); free(ptr_adt_search->save_sequence); return ad_err; } ptr_adt_search->seq_anfang = get(); } } //========================================================END REPLACE //-------------------------------------------------- Cursorpos Editor ptr_adt_edit->actual_cursorpos_editor = ptr_adt_search->replace_start_cursor_pos + strlen(replace_anfang) - 1; //-----------------------------------------------------END Cursorpos ptr_adt_search->string_replace = 1; //wir haben replaced! return 0; } // end fkt show_edit_replace() // ************************************************************************* // ************************************************************************* // Invert/Complement - Haelt und arbeitet auf der Sequenz // ************************************************************************* AD_ERR * ADT_SEQUENCE::show_edit_seq_compl( ADT_COMPLEMENT *ptr_adt_complement, ADT_EDIT *ptr_adt_edit) { AD_ERR *ad_err; ptr_adt_complement->sequence = get(); ptr_adt_complement->sequence_length = (long)strlen(ptr_adt_complement->sequence); //-------------------------------------------------------- border check if( ptr_adt_complement->take_borders == YES ) { if( (ptr_adt_complement->sequence_length - 1) < ptr_adt_complement->right_border ) { ptr_adt_complement->right_border = ptr_adt_complement->sequence_length - 1; } if( (ptr_adt_complement->sequence_length - 1) < ptr_adt_complement->left_border ) { return 0; } } //---------------------------------------------------- end border check //-----------------------------------------------------fct complement() if( ptr_adt_complement->complement_seq == YES ) { show_edit_complement(ptr_adt_complement, ptr_adt_edit); // ***************************************************** } //-------------------------------------------------end fct complement() //---------------------------------------------------------fct invert() if( ptr_adt_complement->invert_seq == YES ) { show_edit_invert(ptr_adt_complement, ptr_adt_edit); // ***************************************************** } //-----------------------------------------------------end fct invert() if( (ptr_adt_complement->seq_is_complemented == YES) || (ptr_adt_complement->seq_is_inverted == YES) ) { ptr_adt_edit->actual_cursorpos_editor = 0; } //----------------------------------- zurueckschreiben in die Datenbank if( ptr_adt_edit->db_status == ADT_DB_OPEN ) { ad_err = put(); if(ad_err) { // printf("**** ERROR ADT_COMPLEMENT, no rewrite into DB\n"); return ad_err; } show_update(); } //---------------------------------------------------end write into DB //---------------------------------------------------------------------------- //testen #if 0 char* seq_loop = ptr_adt_complement->sequence; printf("\n================================================================\n"); printf("Species-name: %s\n", ptr_adt_complement->species_name ); printf("Alignment-type: %s == %d\n", ptr_adt_complement->alignment_type, ptr_adt_complement->adt_acid); printf("Alignment-name: %s\n", ptr_adt_complement->alignment_name ); printf("SEQUENCE:\n"); //printf("SEQUENCE: (ab Cursorpos 200)\n"); //seq_loop+=200; for(int k=0; (k<100) && (*seq_loop); k++) { printf("%c", *seq_loop); seq_loop++; } printf("\n"); printf("alignment_length: %d\n", ptr_adt_complement->alignment_length ); printf("Borders [left..right]: [%d .. %d]\n", ptr_adt_complement->left_border, ptr_adt_complement->right_border ); printf("seq_is_complemented: %d\n", ptr_adt_complement->seq_is_complemented ); printf("seq_is_inverted: %d\n", ptr_adt_complement->seq_is_inverted ); printf("which_button: %d\n", ptr_adt_complement->which_button ); #endif //end test //--------------------------------------------------------------------------- return 0; } // end show_edit_seq_compl() // ************************************************************************* // ************************************************************************* // Fkt bildet das Complement // ************************************************************************* AD_ERR * ADT_SEQUENCE::show_edit_complement(ADT_COMPLEMENT *ptr_adt_complement, ADT_EDIT *ptr_adt_edit) { char *seq_start, *right_border; char *compl_start, *compl_loop; seq_start = ptr_adt_complement->sequence; compl_start = ptr_adt_complement->sequence; //vorbelegung right_border = seq_start + max_value; //--------------------------------------------------------ab Cursorpos if(ptr_adt_complement->take_cursor == YES) { compl_start = seq_start + ptr_adt_edit->actual_cursorpos_editor; } //-------------------------------------------------------end Cursorpos //-----------------------------------------------------------Intervall if(ptr_adt_complement->take_borders == YES) { compl_start = seq_start + ptr_adt_complement->left_border; right_border = seq_start + ptr_adt_complement->right_border; } //-------------------------------------------------------end Intervall //-------------------------------------------------erledigt complement for( compl_loop = compl_start; (*compl_loop) && (compl_loop <= right_border) ; compl_loop++ ) { *compl_loop = ptr_adt_complement->char_array[(int)*compl_loop]; } ptr_adt_complement->seq_is_complemented = YES; //------------------------------------------------------end complement return 0; } // end fct show_edit_complement() // ************************************************************************* // ************************************************************************* // Fkt fuehrt Invertierung durch ( = REVERT ) // ************************************************************************* AD_ERR * ADT_SEQUENCE::show_edit_invert(ADT_COMPLEMENT *ptr_adt_complement, ADT_EDIT *ptr_adt_edit) { char source; char *right_border; char *sequence_loop_start, *sequence_loop, *sequence; char *seq_buffer, *seq_buffer_loop_start, *seq_buffer_loop; long *index_buffer, *index_buffer_loop_start, *index_buffer_loop; long char_counter = 0; sequence = ptr_adt_complement->sequence; right_border = sequence + max_value; //------------------------------------------------------ make Seq/Puffer ptr_adt_complement->complement_buffers(); //-------------------------------------------------- end make Seq/Puffer seq_buffer = ptr_adt_complement->sequence_buffer; index_buffer = ptr_adt_complement->index_buffer; sequence_loop_start = sequence; seq_buffer_loop_start = seq_buffer; index_buffer_loop_start = index_buffer; //--------------------------------------------------------ab Cursorpos if( ptr_adt_complement->take_cursor == YES ) { sequence_loop_start += ptr_adt_edit->actual_cursorpos_editor; seq_buffer_loop_start += ptr_adt_edit->actual_cursorpos_editor; index_buffer_loop_start += ptr_adt_edit->actual_cursorpos_editor; } //-------------------------------------------------------end Cursorpos //------------------------------------------------------- take Borders if( ptr_adt_complement->take_borders == YES ) { sequence_loop_start += ptr_adt_complement->left_border; seq_buffer_loop_start += ptr_adt_complement->left_border; index_buffer_loop_start += ptr_adt_complement->left_border; right_border = sequence + ptr_adt_complement->right_border; } //-------------------------------------------------------- end Borders seq_buffer_loop = seq_buffer_loop_start; index_buffer_loop = index_buffer_loop_start; //========================================== kopieren der Seq in Puffer for( sequence_loop = sequence_loop_start; ( source = *sequence_loop) && (sequence_loop <= right_border) ; sequence_loop++ ) { if( !((source == '-') || (source == '.')) ) { *( seq_buffer_loop++ ) = source; *( index_buffer_loop++ ) = sequence_loop - sequence; char_counter++; } } //=============================================== end kopieren in Puffer //========================================================== invertieren char *first, *last; first = seq_buffer_loop_start; last = seq_buffer + char_counter - 1; for( ; first < last ; first++, last-- ) { source = *first; *first = *last; *last = source; } //====================================================== end invertieren //================================================ueberschreiben der Seq long buffer_index = 0; //---------------------------------------------------------- take cursor if( ptr_adt_complement->take_cursor == YES ) { buffer_index = ptr_adt_edit->actual_cursorpos_editor; } //----------------------------------------------------------- end cursor //--------------------------------------------------------- take borders if(ptr_adt_complement->take_borders == YES) { buffer_index = ptr_adt_complement->left_border; right_border = seq_buffer + ptr_adt_complement->right_border; } //---------------------------------------------------------- end borders sequence_loop = sequence_loop_start; if(ptr_adt_complement->remove_gaps_points == YES) { for( seq_buffer_loop = seq_buffer_loop_start ; (source = *seq_buffer_loop) && (seq_buffer_loop <= right_border); seq_buffer_loop++ ) { *(sequence_loop++) = source; } } else { //////////// ptr_adt_complement->remove_gaps_points == NO for( ; (source = seq_buffer[buffer_index]) && (seq_buffer[buffer_index] != '.'); buffer_index++) { *(sequence + index_buffer[buffer_index]) = source; } } //=========================================== end ueberschreiben der Seq ptr_adt_complement->seq_is_inverted = YES; free(ptr_adt_complement->sequence_buffer); free((char *)ptr_adt_complement->index_buffer); ptr_adt_complement->sequence_buffer = NULL; ptr_adt_complement->index_buffer = NULL; return 0; } // end fct show_edit_invert() // ************************************************************************* ./arbsrc_9167/ARBDBPP/adtools.hxx0000644012664100000130000002301511440743001016402 0ustar arb_buildcoders// =========================================================== // // // // File : adtools.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef ADTOOLS_HXX #define ADTOOLS_HXX const long max_value = 0x7fffffff; #include typedef enum { ADT_SEARCH_FORWARD = 1, ADT_SEARCH_BACKWARD = -1, ADT_SEARCH_ALL = 0 } ADT_SEARCH_DIRECTION; typedef enum { ADT_NO_REPLACE = -1, ADT_REPLACE_ONLY = 0, ADT_REPLACE_AND_SEARCH_NEXT = 4, ADT_SEARCH_AND_REPLACE_NEXT = 1, ADT_REPLACE_REST_SEQUENCE = 2, ADT_REPLACE_REST_EDITOR = 3 } ADT_REPLACE_OPTION; typedef enum { NO_BUTTON, //----------search BUTTON_SEARCH_FORWARD, BUTTON_SEARCH_BACKWARD, BUTTON_SEARCH_ALL, //----------replace BUTTON_NO_REPLACE, BUTTON_REPLACE_ONLY, BUTTON_REPLACE_AND_SEARCH_NEXT, BUTTON_SEARCH_AND_REPLACE_NEXT, BUTTON_REPLACE_REST_SEQUENCE, BUTTON_REPLACE_REST_EDITOR, //----------complement BUTTON_COMPL_BLOCK, BUTTON_COMPL_REST_SEQUENCE, BUTTON_COMPL_SEQUENCE, BUTTON_COMPL_REST_TEXT, BUTTON_COMPL_ALL } ADT_BUTTON; typedef enum { ADT_DONT_STOPP_REPLACE = 1, ADT_STOPP_REPLACE = 0 } ADT_REPLACE_LOOP; typedef enum { ADT_DB_CLOSED = 0, ADT_DB_OPEN = 1 } ADT_DB_STATUS; typedef enum { ADT_ALITYPE_UNDEFINED, ADT_ALITYPE_RNA, ADT_ALITYPE_DNA, ADT_ALITYPE_AMI } ADT_ACID; typedef enum { NO = 0, YES = 1 } ADT_UTIL; #define GAP_SYMBOL 80 // zeichen, ausser NULL #define NOGAP_SYMBOL 70 /*************************************************************************** class ADT_COMPLEMENT ***************************************************************************/ class ADT_COMPLEMENT { friend class ADT_SEQUENCE; //********** private: char *char_array; char *make_char_array(); // vollst. Zeichensatz //********** public: const char *species_name; const char *alignment_type; const char *alignment_name; char *sequence; char *sequence_buffer; long *index_buffer; ADT_ACID adt_acid; ADT_UTIL complement_seq; ADT_UTIL invert_seq; ADT_UTIL seq_is_complemented; ADT_UTIL seq_is_inverted; ADT_UTIL take_cursor; ADT_UTIL take_borders; ADT_UTIL remove_gaps_points; ADT_BUTTON which_button; long alignment_length; long sequence_length; long left_border; long right_border; ADT_COMPLEMENT(void); ~ADT_COMPLEMENT(void); AD_ERR *complement_compile(void); //veraendert Zeichensatz AD_ERR *complement_buffers(void); //Puffer fuer Seq + Index }; /*************************************************************************** class ADT_EDIT ***************************************************************************/ class ADT_EDIT { friend class ADT_SEQUENCE; public: long selection; //Sequenz markiert long found_matchp; //Matchpattern gefunden? long actual_cursorpos_editor; long replace_overflow; long mistakes_found; //Anzahl gefundener Fehler long seq_equal_match; ADT_DB_STATUS db_status; ADT_UTIL border_overflow; ADT_EDIT(void); ~ADT_EDIT(void); }; /*************************************************************************** class ADT_SEARCH ***************************************************************************/ class ADT_SEARCH { friend class ADT_SEQUENCE; private: char *matchpattern_buffer; char *show_search_array(); char *search_array; char *save_sequence; // Sicherungskopie der Sequenz // fuer Fehlerfall bei Replace public: char *seq_anfang; // Sequenz oder Sequenz-Puffer long *seq_index_start; // Index-Puffer char *matchpattern; //? wildcard; // i'm the father of this string char *replace_string; // Replace String long mistakes_allowed; // Anzahl der beim Vergleich // Sequenz<->Matchpattern erlaubten // Fehler long gaps; //what about gaps long upper_eq_lower; //gross/KLEIN-Schreibung long t_equal_u; //t und u gleichbehandeln long search_start_cursor_pos; long replace_start_cursor_pos; ADT_SEARCH_DIRECTION search_direction; ADT_REPLACE_OPTION replace_option; ADT_REPLACE_LOOP replace_loop_sequence; ADT_SEARCH(void); ~ADT_SEARCH(void); AD_ERR *compile(void); //veraendert Zeichensatz long found_cursor_pos; //Stelle, ab der die Sequenz mit dem //Matchpattern unter Beruecksichtigung //der "erlaubten" Fehleranzahl ueber = //einstimmt. long string_replace; // 0 == kein String replaced, default; // 1 == String replaced; }; /*************************************************************************** class ADT_ALI ****************************************************************************/ class ADT_ALI : public AD_ALI { char *gapsequence; // realsequenz mit - an ausgeblendeten stellen int *gapshowoffset; // fuer umsetzung show -> realcoord int *gaprealoffset; int gapshowoffset_len; int inited; // es gilt: // showoffset[showoffset[showpos]] + showpos = realpos // realpos - gap[realoffset[realpos]] = showpos // fuer die gap verwaltung public: ~ADT_ALI(); ADT_ALI(); void init(AD_MAIN *ad_main); void gap_init(); AD_ERR *gap_make(int position,int len); AD_ERR *gap_delete(int showposition); AD_ERR *gap_update(char *oldseq,char *newseq); int gap_inside(int showposition1,int showposition2); int gap_inside(int realposition); int gap_behind(int showposition); int gap_realpos(int showposition); int gap_showpos(int realposition); char *gap_make_real_sequence(char *realseq,const char *showseq); char *gap_make_show_sequence(const char *realseq,char *showseq); void operator = (ADT_ALI& ); }; class ADT_SEARCH_REPLACE { friend class ADT_SEQUENCE; private: char *matchpattern_buffer; char *show_search_array(); char *search_array; char *save_sequence; // Sicherungskopie der Sequenz // fuer Fehlerfall bei Replace public: char *seq_anfang; // Sequenz oder Sequenz-Puffer long *seq_index_start; // Index-Puffer char *matchpattern; //? wildcard; // i'm the father of this string char *replace_string; // Replace String long mistakes_allowed; // Anzahl der beim Vergleich // Sequenz<->Matchpattern erlaubten // Fehler long gaps; //what about gaps long upper_eq_lower; //gross/KLEIN-Schreibung long t_equal_u; //t und u gleichbehandeln long search_start_cursor_pos; //Position, ab der die Suche in der //Sequenz gestartet wird. //search: actual_cursorpos_editor +/- 1; long replace_start_cursor_pos; //Position, ab der der Replace-String //in die Sequenz eingefuegt wird. //replace: actual_cursorpos_editor; ADT_SEARCH_DIRECTION search_direction; ADT_REPLACE_OPTION replace_option; ADT_REPLACE_LOOP replace_loop_sequence; ADT_SEARCH_REPLACE(void); ~ADT_SEARCH_REPLACE(void); AD_ERR *compile(void); //veraendert Zeichensatz long found_cursor_pos; //Stelle, ab der die Sequenz mit dem //Matchpattern unter Beruecksichtigung //der "erlaubten" Fehleranzahl ueber = //einstimmt. long string_replace; // 0 == kein String replaced, default; // 1 == String replaced; }; #define GAP_SYMBOL 80 // zeichen, ausser NULL #define NOGAP_SYMBOL 70 class ADT_SEQUENCE : public AD_SEQ { class ADT_ALI *adt_ali; int Cursorposition; long show_timestamp; AD_ERR *make_sequence_buffer(ADT_SEARCH *ptr_adt_search, ADT_EDIT *prt_adt_edit); AD_ERR *rewrite_from_sequence_buffer(ADT_SEARCH *ptr_adt_search, ADT_EDIT *prt_adt_edit); public: ADT_SEQUENCE(); ~ADT_SEQUENCE(); void init(ADT_ALI *adtali,AD_CONT * adcont); // SHOWSEQUENCEN void show_update(); // must be called after this->update int show_len(); char *show_get(); AD_ERR *show_put(); AD_ERR *show_insert(char *text,int position); AD_ERR *show_remove(int len,int position); AD_ERR *show_replace(char *text, int position); AD_ERR *show_command( AW_key_mod keymod, AW_key_code keycode, char key, int direction, long &cursorpos, int & changed_flag); AD_ERR *show_edit_seq_search(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit); AD_ERR *show_edit_search(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit); AD_ERR *show_edit_replace(ADT_SEARCH *ptr_adt_search, ADT_EDIT *ptr_adt_edit); AD_ERR *show_edit_seq_compl(ADT_COMPLEMENT *ptr_adt_complement, ADT_EDIT *ptr_adt_edit); AD_ERR *show_edit_complement(ADT_COMPLEMENT *ptr_adt_complement, ADT_EDIT *ptr_adt_edit); AD_ERR *show_edit_invert(ADT_COMPLEMENT *ptr_adt_complement, ADT_EDIT *ptr_adt_edit); }; #else #error adtools.hxx included twice #endif // ADTOOLS_HXX ./arbsrc_9167/ARBDBPP/adtsequence.cxx0000644012664100000130000000670511440743001017240 0ustar arb_buildcoders#include #include #include #include #include "adtools.hxx" ADT_SEQUENCE::ADT_SEQUENCE() { memset(this,0,sizeof(ADT_SEQUENCE)); adt_ali = 0; } ADT_SEQUENCE::~ADT_SEQUENCE() { // if (showsequence) delete showsequence; } void ADT_SEQUENCE::init(ADT_ALI *adtali,AD_CONT * adcont) { adt_ali = adtali; AD_SEQ::init(adcont); show_timestamp = timestamp; } char *ADT_SEQUENCE::show_get() { if (adt_ali != 0) { if ((seq == 0) || (show_timestamp < timestamp) ) { ADT_SEQUENCE::show_update(); } return seq; } new AD_ERR("ADT_SEQUENCE::show_get() class not inited ?",CORE); return 0; } void ADT_SEQUENCE::show_update() { ; } int ADT_SEQUENCE::show_len() { return seq_len; } AD_ERR * ADT_SEQUENCE::show_put() { AD_ERR * error = 0; error = put(); if (error != 0) { show_update(); return error; } show_timestamp = timestamp; return error ; } /*** EDITIERFUNKTIONEN *******/ // show_insert // show_remov5// show_replace // // beeinflussen nicht seq_len und showseq_len ( -> wird von gaps beeinflusst) // seq_len entspricht der alignment laenge // das Ende wird mit punkten aufgefuellt // AD_ERR * ADT_SEQUENCE::show_insert(char *text,int showposition) { // insert text in showsequenc und seq (AD) // funktionen: gap_realpos, // nur erlaubt, wenn kein gap dahinter AD_ERR *ad_err; int realposition = adt_ali->gap_realpos(showposition); // bereich in der richtigen sequence if (show_timestamp != timestamp) { return new AD_ERR("ADT_SEQUENCE::show_insert -- not allowed -- because timeupdate not done !"); } if (adt_ali->gap_behind(realposition) == 1) { // kein insert wenn luecke dahinter return new AD_ERR("ADT_SEQUENCE::show_insert -- not allowed because Gap behind position"); } ad_err = this->insert(text,realposition,1); //@@@ insert in blocks !!! if (!ad_err){ this->show_update(); } return ad_err; } AD_ERR * ADT_SEQUENCE::show_remove(int charsToDelete, int showposition) { AD_ERR *ad_err; int realposition = adt_ali->gap_realpos(showposition); if ((realposition < 0) || (charsToDelete<0) || (charsToDelete > seq_len) || (showposition >= seq_len)) { return new AD_ERR("ADT_SEQ.remove() WARNING ! Wrong Parameters !"); } if (adt_ali->gap_behind(realposition) == 1) { // kein remove wenn luecke dahinter return new AD_ERR("ADT_SEQUENCE::show_remove -- not allowed because Gap behind position"); } if (show_timestamp != timestamp) { return new AD_ERR("ADT_SEQUENCE::show_remove -- not allowed -- because timeupdate not done !"); } ad_err = this->remove(charsToDelete,realposition,1); if (!ad_err) this->show_update(); return ad_err; } AD_ERR * ADT_SEQUENCE::show_replace(char *text,int showposition) { if (show_timestamp != timestamp) { return new AD_ERR("ADT_SEQUENCE::show_replace -- not allowed -- because timeupdate not done !"); } AD_ERR *ad_err; ad_err = this->replace(text,showposition,1); if (!ad_err) this->show_update(); return ad_err; } AD_ERR *ADT_SEQUENCE::show_command( AW_key_mod keymod, AW_key_code keycode, char key, int direction, long &cursorpos, int& changeflag) { AD_ERR *err= this->command(keymod,keycode,key,direction, cursorpos,changeflag); if (changeflag) this->show_update(); return err; } ./arbsrc_9167/ARBDBPP/arbdb++.hxx0000644012664100000130000003067111440743001016143 0ustar arb_buildcoders// =========================================================== // // // // File : arbdb++.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef ARBDBPP_HXX #define ARBDBPP_HXX /* KLASSENDEFINITIONEN fuer die Datenbankschnittstelle AD_ERR Fehlerklasse, oft Rueckgabewert von Funktionen AD_MAIN Hauptklasse, oeffnen und schliessen der Datenbank, sowie beginn und Ende von Transaktionen folgende Klassen entsprechen im wesentlichen den Containern der ARB Database. Nach der Deklaration eines Objekts muss vor einem Funktionsaufruf init(), vor der Deallokierung ein exit() mit den entsprechenden Parametern aufgerufen werden. AD_SPECIES AD_ALI ->alignment AD_CONT AD_SEQ AD_MARK ***********************************************************/ #ifndef AW_KEYSYM_HXX #include #endif #define ADPP_CORE *(int *)0=0; #define AD_ERR_WARNING 1 // Punktzeichen fuer sequenz #define SEQ_POINT '.' #define ALIGN_STRING ".-~?" // characters allowed to change in align_mod #define ADPP_IS_ALIGN_CHARACTER(chr) (strchr (ALIGN_STRING,chr)) const int MINCACH = 1; const int MAXCACH = 0; // schaltet cach ein bei open Funktionen const int CORE = 1; typedef enum ad_edit_modus { AD_allign = 0, // add & remove of . possible (default) AD_nowrite = 1, // no edits allowed AD_replace = 2, // all edits AD_insert = 3 // } AD_EDITMODI; typedef enum ad_types { ad_none = 0, ad_bit = 1, ad_byte = 2, ad_int = 3, ad_float = 4, ad_bits = 6, ad_bytes = 8, ad_ints = 9, ad_floats = 10, ad_string = 12, ad_db = 15, ad_type_max = 16 } AD_TYPES; // equal GBDATA types /******************************* class AD_ERR *******************************/ class AD_ERR { int modus; // Mode 0 = Errors, 1 = Warnings int anzahl; // Number of errors char *text; // error text public: AD_ERR(); // create error AD_ERR(const char *errorstring); // create error AD_ERR(const char *, int core); // setzt den Fehler und bricht mit core ab falls core == CORE ~AD_ERR(); char *show(); // returns the error text }; class AD_READWRITE { // Klasse, die es den anderen AD_Klassen ermoeglicht // Eintraege zu lesen und zu schreiben. public: GBDATA *gbdataptr; // jeweiliger Zeiger auf GBDATA eintrag // am Besten in initpntr bzw init auf jeweiligen // Eintrag setzen. char *readstring(char *feld); int readint(char *feld); float readfloat(char *feld); AD_ERR *writestring(char *feld,char *eintrag); AD_ERR *writeint(char *feld,int eintrag); AD_ERR *writefloat(char *feld,float eintrag); AD_ERR *create_entry(char *key, AD_TYPES type); AD_TYPES read_type(char *key); GBDATA *get_GBDATA(void) { return gbdataptr; }; }; /************************* class: AD_MAIN ***************************/ class AD_MAIN : public AD_READWRITE { friend class AD_SPECIES; // fuer den zugriff auf gbd friend class AD_SAI; friend class AD_ALI; friend class AD_SEQ; GBDATA *gbd; // Zeiger auf container der DB GBDATA *species_data; GBDATA *sai_data; GBDATA *presets; int AD_fast; // Flag fuer schnelen Zugriff AD_EDITMODI mode; // for seq modes public: AD_MAIN(); ~AD_MAIN(); AD_ERR *open(const char *); AD_ERR *open(const char *,int ); AD_ERR *close(); AD_ERR *save(const char *modus); AD_ERR *save_as(const char *modus); AD_ERR *save_home(const char *modus); AD_ERR *push_transaction(); AD_ERR *pop_transaction(); AD_ERR *begin_transaction(); AD_ERR *commit_transaction(); AD_ERR *abort_transaction(); AD_ERR *change_security_level(int level); int time_stamp(void); int get_cach_flag(); }; /******************************* class AD_ALI container alignment *******************************/ class AD_ALI : public AD_READWRITE { friend class AD_CONT; AD_MAIN *ad_main; GBDATA *gb_ali; GBDATA *gb_aligned; GBDATA *gb_name; GBDATA *gb_len; GBDATA *gb_type; char *ad_name; long ad_len; char *ad_type; long ad_aligned; int count; int last; AD_ERR *initpntr(); AD_ERR *release(); public: AD_ALI(); ~AD_ALI(); AD_ERR *init(AD_MAIN *gbptr); AD_ERR *exit(); AD_ERR *find(char*name); AD_ERR *first(); AD_ERR *ddefault(); AD_ERR *next(); // AD_ERR *default(); AD_MAIN *get_ad_main() { return ad_main; }; int eof(); // 1 ,falls letztes alignment int aligned(); int len(); char *type(); char *name(); int time_stamp(); void operator = (AD_ALI& ); }; /********************************************** AD_SPECIES ***********************************************/ class CONTLIST; class AD_SPECIES; int AD_SPECIES_destroy(GBDATA *,AD_SPECIES *); int AD_SPECIES_name_change(GBDATA *,AD_SPECIES *); class AD_SPECIES : public AD_READWRITE { GBDATA *gb_spdata; // um lange Zeigerzugriffe zu vermeiden // kopie von AD_MAIN.speciesdata protected: AD_MAIN *ad_main; // fuer DB zugriff GBDATA *gb_species; // zeiger auf species GBDATA *gb_name; char *spname; // enthaelt kopie des namens int last; // 1 -> EOF int count; // zaehler fuer die daranhaengenden // container AD_ERR *error(); AD_ERR *ddefault(); class CONTLIST *container; friend class AD_CONT; friend int AD_SPECIES_destroy(GBDATA *,AD_SPECIES *); friend int AD_SPECIES_name_change(GBDATA *,AD_SPECIES *); // Funktion die callback behandelt void initpntr(); // internes Aufbereiten der Klasse void release(); // behandelt speicherverwaltung public: AD_SPECIES(); ~AD_SPECIES(); AD_ERR *init(AD_MAIN *); AD_ERR *exit(); AD_ERR *first(); AD_ERR *next(); AD_ERR *firstmarked(); AD_ERR *nextmarked(); AD_ERR *find(const char *name); AD_ERR *create(const char *name); void operator = (const AD_SPECIES&); // zum kopieren int time_stamp(); const char *name(); int flag(); const char *fullname(); int eof(); }; /********************************************** AD_SAI ***********************************************/ class AD_SAI : public AD_SPECIES { GBDATA *gb_main; // um lange Zeigerzugriffe zu vermeiden // kopie von AD_MAIN.speciesdata public: AD_SAI(); ~AD_SAI(); int flag(); AD_ERR *init(AD_MAIN *); AD_ERR *exit(); AD_ERR *first(); AD_ERR *next(); AD_ERR *firstmarked(); AD_ERR *nextmarked(); AD_ERR *find(char *); AD_ERR *create(char *name); char *fullname(); void operator = (const AD_SAI&); // zum kopieren char *name(); // liefert name zurueck }; /************************************* *AD_CONT ************************************/ class AD_CONT : public AD_READWRITE // Containerklasse in der die Sequenzinformationen fuer // ein Spezies gehalten und verwaltet wird // muss ein spezies und ein alignment objekt // beim initialisieren bekommen { AD_SPECIES *ad_species; AD_ALI *ad_ali; GBDATA *gb_species; // wird 0, wenn species deleted GBDATA *gb_ali; // pointer to ali_xxx container friend class AD_SEQ; friend class AD_STAT; // funktionen zum einfuegen in die AD_SPECIES Containerliste int con_insert(AD_SPECIES *,AD_ALI *); void con_remove(AD_SPECIES *,AD_ALI *); // gibt cach flag zurueck (implementiert um mehrfachzeiger int get_cach_flag(); public: AD_CONT(); ~AD_CONT(); AD_MAIN *get_ad_main() { return ad_ali->get_ad_main(); }; AD_ERR *init(AD_SPECIES *,AD_ALI *); AD_ERR *create(AD_SPECIES *,AD_ALI *); int eof(void); AD_ERR *exit(); }; // einfach verkettete Liste CONTLIST struct CLISTENTRY { AD_SPECIES *entry; // werden zum vergleich verwendet AD_ALI *entry2; CLISTENTRY *next; CLISTENTRY(); }; class CONTLIST { // einfach verkettete liste mit AD_CONT eintraegen // mit der nachgeprueft werden soll welche container // enthalten sind. CLISTENTRY *first; int anzahl; public: CONTLIST(); ~CONTLIST(); int insert(AD_SPECIES *,AD_ALI *); int element(AD_SPECIES *,AD_ALI *); void remove(AD_SPECIES *,AD_ALI *); }; /***************************** AD_STAT ****************************/ class AD_STAT; int AD_STAT_updatecall(GBDATA *,AD_STAT*); class AD_STAT // Sequenzklasse in der die Sequenz und ihre // markierung gespeichert ist { class AD_CONT *ad_cont; friend int AD_STAT_updatecall(GBDATA *,AD_STAT*); AD_TYPES marktype; char *markkey; char *markdata; // Markierungsdaten String float *markdatafloat; GB_UINT4 *markdataint; long nmark; // anzahl der floats` char c_0, c_1; // Zeichen fuer die markierung int last; int updated; // flag fuer aufgetretenen update int inited_object; // fuer init/exit ueberpruefung GBDATA *gb_mark; // Zeiger auf ali_xxx container GBDATA *gb_char_mark; GBDATA *GB_FLOAT_mark; GBDATA *GB_INT_mark; GBDATA *gb_markdata; // aktuelle markierung (aller 3 typen) AD_ERR *initpntr(); AD_ERR *release(); public: AD_STAT(); ~AD_STAT(); AD_ERR *init(AD_CONT *); AD_ERR *exit(); AD_ERR *first(); AD_ERR *first(AD_TYPES type); AD_ERR *next(); AD_ERR *next(AD_TYPES type); int *eof(); AD_TYPES type(); GB_UINT4 *getint(); char *getbits(); float *getfloat(); AD_ERR *put(); AD_ERR *put(char *markings, int len); AD_ERR *put(float *markings, int len); AD_ERR *put(GB_UINT4 *markings, int len); int time_stamp(); }; /********************************** AD SEQ *********************************/ class AD_SEQ: public AD_READWRITE // Sequenzklasse in der die Sequenz und ihre // markierung gespeichert ist { friend int AD_SEQ_updatecall(GBDATA *,AD_SEQ *); GBDATA *gb_seq; // zeiger auf ali_xxx container protected: int updated; // flag fuer aufgetretenen update int nseq_but_filter; // show filter, no sequence long seq_len; // hier steht die max laenge der sequenz char *seq; // Sequenzdata long timestamp; // Zeit des letzten zugriffs auf DB AD_CONT *ad_cont; AD_ERR *check_base(char chr,long position, int direction); AD_ERR *push(long position, int direction); AD_ERR *jump(long position, int direction); AD_ERR *fetch(long position, int direction); long get_next_base(long position, int direction); long get_next_gap(long position, int direction); public: AD_SEQ(); ~AD_SEQ(); AD_ERR *init(AD_CONT *); AD_ERR *exit(); AD_ERR *update(); // reread data froam database char *get(); // read the sequence AD_ERR *put(); // write the internal cash to the database AD_ERR *create(void); AD_ERR *changemode(AD_EDITMODI mod); AD_EDITMODI mode(); AD_MAIN *get_ad_main() { return ad_cont->get_ad_main(); }; int s_inited(); int time_stamp(void); int len(); // EDITIERFUNKTINEN // position ab 0 bis strlen(seq) // AD_ERR *insert(char *,long position, int direction); AD_ERR *remove(int len,long position, int direction); AD_ERR *replace(char *text,long position, int direction); AD_ERR *swap_gaps(long position, char ch); AD_ERR *command( AW_key_mod keymod, AW_key_code keycode, char key, int direction, long &cursorpos, int & changed_flag); }; #else #error arbdb++.hxx included twice #endif // ARBDBPP_HXX ./arbsrc_9167/ARBDBPP/liste.cxx0000644012664100000130000000265411440743001016056 0ustar arb_buildcoders#include #include #include "arbdb++.hxx" CLISTENTRY::CLISTENTRY() { entry = 0; entry2 = 0; next = 0; } CONTLIST::CONTLIST() { first = 0; anzahl = 0; } CONTLIST::~CONTLIST() { } int CONTLIST::insert(AD_SPECIES *ad_species,AD_ALI *ad_ali) { if (element(ad_species,ad_ali)) return 0; CLISTENTRY *newentry; newentry = new CLISTENTRY; newentry->entry = ad_species; newentry->entry2 = ad_ali; newentry->next = first; first = newentry; anzahl ++; return 1; } int CONTLIST::element(AD_SPECIES *ad_species,AD_ALI *ad_ali) { // testet ob ad_ptr in CONTLIST vorhanden CLISTENTRY *a; if (anzahl == 0) { return 0; } a = first; do { if (a->entry ==ad_species && a->entry2 ==ad_ali) return 1; a = a->next; } while ( a != 0); return 0; // nicht element der liste } void CONTLIST::remove(AD_SPECIES *ad_species,AD_ALI *ad_ali) { CLISTENTRY* a,*b; if (element(ad_species,ad_ali)) { if (first->entry ==ad_species && first->entry2 ==ad_ali) { first = first->next; delete first; } else { a = first; b = a->next; while (!(b->entry ==ad_species && b->entry2 ==ad_ali)) { a = b; b = b->next; } a->next = b->next; delete b; } anzahl --; } } ./arbsrc_9167/ARBDBPP/Makefile0000644012664100000130000001026611440743001015650 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend CPP_OBJECTS = adtsequence.o adt_edit.o adtali.o adextended.o adseq.o adspecies.o admain.o adali.o liste.o $(MAIN): $(CPP_OBJECTS) $(LINK_SHARED_LIB) $(@:.a=).$(SHARED_LIB_SUFFIX) $(CPP_OBJECTS) touch $@ .cxx.o: $(CPPLIB) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a *.so DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl adali.o: arbdb++.hxx adali.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adali.o: $(ARBHOME)/INCLUDE/ad_prot.h adali.o: $(ARBHOME)/INCLUDE/ad_t_prot.h adali.o: $(ARBHOME)/INCLUDE/arb_assert.h adali.o: $(ARBHOME)/INCLUDE/arbdb.h adali.o: $(ARBHOME)/INCLUDE/arbdb_base.h adali.o: $(ARBHOME)/INCLUDE/arbdbt.h adali.o: $(ARBHOME)/INCLUDE/attributes.h adali.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx adextended.o: arbdb++.hxx adextended.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adextended.o: $(ARBHOME)/INCLUDE/ad_prot.h adextended.o: $(ARBHOME)/INCLUDE/ad_t_prot.h adextended.o: $(ARBHOME)/INCLUDE/arb_assert.h adextended.o: $(ARBHOME)/INCLUDE/arbdb.h adextended.o: $(ARBHOME)/INCLUDE/arbdb_base.h adextended.o: $(ARBHOME)/INCLUDE/arbdbt.h adextended.o: $(ARBHOME)/INCLUDE/attributes.h adextended.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx admain.o: arbdb++.hxx admain.o: $(ARBHOME)/INCLUDE/ad_k_prot.h admain.o: $(ARBHOME)/INCLUDE/ad_prot.h admain.o: $(ARBHOME)/INCLUDE/ad_t_prot.h admain.o: $(ARBHOME)/INCLUDE/arb_assert.h admain.o: $(ARBHOME)/INCLUDE/arbdb.h admain.o: $(ARBHOME)/INCLUDE/arbdb_base.h admain.o: $(ARBHOME)/INCLUDE/arbdbt.h admain.o: $(ARBHOME)/INCLUDE/attributes.h admain.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx adseq.o: arbdb++.hxx adseq.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adseq.o: $(ARBHOME)/INCLUDE/ad_prot.h adseq.o: $(ARBHOME)/INCLUDE/ad_t_prot.h adseq.o: $(ARBHOME)/INCLUDE/arb_assert.h adseq.o: $(ARBHOME)/INCLUDE/arbdb.h adseq.o: $(ARBHOME)/INCLUDE/arbdb_base.h adseq.o: $(ARBHOME)/INCLUDE/arbdbt.h adseq.o: $(ARBHOME)/INCLUDE/attributes.h adseq.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx adspecies.o: arbdb++.hxx adspecies.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adspecies.o: $(ARBHOME)/INCLUDE/ad_prot.h adspecies.o: $(ARBHOME)/INCLUDE/ad_t_prot.h adspecies.o: $(ARBHOME)/INCLUDE/arb_assert.h adspecies.o: $(ARBHOME)/INCLUDE/arbdb.h adspecies.o: $(ARBHOME)/INCLUDE/arbdb_base.h adspecies.o: $(ARBHOME)/INCLUDE/arbdbt.h adspecies.o: $(ARBHOME)/INCLUDE/attributes.h adspecies.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx adt_edit.o: adtools.hxx adt_edit.o: arbdb++.hxx adt_edit.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adt_edit.o: $(ARBHOME)/INCLUDE/ad_prot.h adt_edit.o: $(ARBHOME)/INCLUDE/arb_assert.h adt_edit.o: $(ARBHOME)/INCLUDE/arbdb.h adt_edit.o: $(ARBHOME)/INCLUDE/arbdb_base.h adt_edit.o: $(ARBHOME)/INCLUDE/attributes.h adt_edit.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx adtali.o: adtools.hxx adtali.o: arbdb++.hxx adtali.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adtali.o: $(ARBHOME)/INCLUDE/ad_prot.h adtali.o: $(ARBHOME)/INCLUDE/arb_assert.h adtali.o: $(ARBHOME)/INCLUDE/arbdb.h adtali.o: $(ARBHOME)/INCLUDE/arbdb_base.h adtali.o: $(ARBHOME)/INCLUDE/attributes.h adtali.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx adtsequence.o: adtools.hxx adtsequence.o: arbdb++.hxx adtsequence.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adtsequence.o: $(ARBHOME)/INCLUDE/ad_prot.h adtsequence.o: $(ARBHOME)/INCLUDE/arb_assert.h adtsequence.o: $(ARBHOME)/INCLUDE/arbdb.h adtsequence.o: $(ARBHOME)/INCLUDE/arbdb_base.h adtsequence.o: $(ARBHOME)/INCLUDE/attributes.h adtsequence.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx liste.o: arbdb++.hxx liste.o: $(ARBHOME)/INCLUDE/ad_k_prot.h liste.o: $(ARBHOME)/INCLUDE/ad_prot.h liste.o: $(ARBHOME)/INCLUDE/arb_assert.h liste.o: $(ARBHOME)/INCLUDE/arbdb.h liste.o: $(ARBHOME)/INCLUDE/arbdb_base.h liste.o: $(ARBHOME)/INCLUDE/attributes.h liste.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx ./arbsrc_9167/ARBDBS/Makefile0000644012664100000130000003164111440743000015532 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend include AD_MOBJECTS.h OBJECTS = $(GB_O) $(GB_T) $(GB_PP) $(GB_X) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) $(POST_COMPILE) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ links: ln -s ../ARBDB/*.[ch] . # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ad_config.o: ad_config.h ad_config.o: ad_prot.h ad_config.o: ad_t_prot.h ad_config.o: arbdb.h ad_config.o: arbdbt.h ad_config.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_config.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_config.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_config.o: $(ARBHOME)/INCLUDE/attributes.h ad_core.o: ad_lpro.h ad_core.o: ad_prot.h ad_core.o: adlmacros.h ad_core.o: adlocal.h ad_core.o: adtune.h ad_core.o: arbdb.h ad_core.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_core.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_core.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_core.o: $(ARBHOME)/INCLUDE/attributes.h ad_load.o: ad_lpro.h ad_load.o: ad_prot.h ad_load.o: ad_t_lpro.h ad_load.o: ad_t_prot.h ad_load.o: adlmacros.h ad_load.o: adlocal.h ad_load.o: admap.h ad_load.o: adtune.h ad_load.o: arbdb.h ad_load.o: arbdbt.h ad_load.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_load.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_load.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_load.o: $(ARBHOME)/INCLUDE/attributes.h ad_save_load.o: ad_lpro.h ad_save_load.o: ad_prot.h ad_save_load.o: adlmacros.h ad_save_load.o: adlocal.h ad_save_load.o: admap.h ad_save_load.o: adtune.h ad_save_load.o: arbdb.h ad_save_load.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ad_save_load.o: $(ARBHOME)/INCLUDE/arb_assert.h ad_save_load.o: $(ARBHOME)/INCLUDE/arbdb_base.h ad_save_load.o: $(ARBHOME)/INCLUDE/attributes.h adali.o: ad_lpro.h adali.o: ad_prot.h adali.o: ad_t_lpro.h adali.o: ad_t_prot.h adali.o: adGene.h adali.o: adlmacros.h adali.o: adlocal.h adali.o: adtune.h adali.o: arbdb.h adali.o: arbdbt.h adali.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adali.o: $(ARBHOME)/INCLUDE/arb_assert.h adali.o: $(ARBHOME)/INCLUDE/arbdb_base.h adali.o: $(ARBHOME)/INCLUDE/attributes.h adChangeKey.o: ad_prot.h adChangeKey.o: ad_t_prot.h adChangeKey.o: arbdb.h adChangeKey.o: arbdbt.h adChangeKey.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adChangeKey.o: $(ARBHOME)/INCLUDE/arb_assert.h adChangeKey.o: $(ARBHOME)/INCLUDE/arbdb_base.h adChangeKey.o: $(ARBHOME)/INCLUDE/attributes.h adcolumns.o: ad_lpro.h adcolumns.o: ad_prot.h adcolumns.o: ad_t_lpro.h adcolumns.o: ad_t_prot.h adcolumns.o: adGene.h adcolumns.o: adlmacros.h adcolumns.o: adlocal.h adcolumns.o: adtune.h adcolumns.o: arbdb.h adcolumns.o: arbdbt.h adcolumns.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adcolumns.o: $(ARBHOME)/INCLUDE/arb_assert.h adcolumns.o: $(ARBHOME)/INCLUDE/arbdb_base.h adcolumns.o: $(ARBHOME)/INCLUDE/attributes.h adcomm.o: ad_lpro.h adcomm.o: ad_prot.h adcomm.o: adlmacros.h adcomm.o: adlocal.h adcomm.o: adtune.h adcomm.o: arbdb.h adcomm.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adcomm.o: $(ARBHOME)/INCLUDE/arb_assert.h adcomm.o: $(ARBHOME)/INCLUDE/arbdb_base.h adcomm.o: $(ARBHOME)/INCLUDE/attributes.h adcompr.o: ad_lpro.h adcompr.o: ad_prot.h adcompr.o: ad_t_lpro.h adcompr.o: ad_t_prot.h adcompr.o: adlmacros.h adcompr.o: adlocal.h adcompr.o: adtune.h adcompr.o: arbdb.h adcompr.o: arbdbt.h adcompr.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adcompr.o: $(ARBHOME)/INCLUDE/arb_assert.h adcompr.o: $(ARBHOME)/INCLUDE/arbdb_base.h adcompr.o: $(ARBHOME)/INCLUDE/attributes.h adExperiment.o: ad_prot.h adExperiment.o: ad_t_prot.h adExperiment.o: arbdb.h adExperiment.o: arbdbt.h adExperiment.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adExperiment.o: $(ARBHOME)/INCLUDE/arb_assert.h adExperiment.o: $(ARBHOME)/INCLUDE/arbdb_base.h adExperiment.o: $(ARBHOME)/INCLUDE/attributes.h adGene.o: ad_prot.h adGene.o: ad_t_prot.h adGene.o: adGene.h adGene.o: arbdb.h adGene.o: arbdbt.h adGene.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adGene.o: $(ARBHOME)/INCLUDE/arb_assert.h adGene.o: $(ARBHOME)/INCLUDE/arbdb_base.h adGene.o: $(ARBHOME)/INCLUDE/attributes.h adhash.o: ad_lpro.h adhash.o: ad_prot.h adhash.o: adlmacros.h adhash.o: adlocal.h adhash.o: adtune.h adhash.o: arbdb.h adhash.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adhash.o: $(ARBHOME)/INCLUDE/arb_assert.h adhash.o: $(ARBHOME)/INCLUDE/arbdb_base.h adhash.o: $(ARBHOME)/INCLUDE/attributes.h adhashtools.o: ad_lpro.h adhashtools.o: ad_prot.h adhashtools.o: ad_t_lpro.h adhashtools.o: ad_t_prot.h adhashtools.o: adlmacros.h adhashtools.o: adlocal.h adhashtools.o: adtune.h adhashtools.o: arbdb.h adhashtools.o: arbdbt.h adhashtools.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adhashtools.o: $(ARBHOME)/INCLUDE/arb_assert.h adhashtools.o: $(ARBHOME)/INCLUDE/arbdb_base.h adhashtools.o: $(ARBHOME)/INCLUDE/attributes.h adindex.o: ad_lpro.h adindex.o: ad_prot.h adindex.o: adlmacros.h adindex.o: adlocal.h adindex.o: adlundo.h adindex.o: adtune.h adindex.o: arbdb.h adindex.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adindex.o: $(ARBHOME)/INCLUDE/arb_assert.h adindex.o: $(ARBHOME)/INCLUDE/arbdb_base.h adindex.o: $(ARBHOME)/INCLUDE/attributes.h aditem.o: ad_lpro.h aditem.o: ad_prot.h aditem.o: ad_t_lpro.h aditem.o: ad_t_prot.h aditem.o: adlmacros.h aditem.o: adlocal.h aditem.o: adtune.h aditem.o: arbdb.h aditem.o: arbdbt.h aditem.o: $(ARBHOME)/INCLUDE/ad_k_prot.h aditem.o: $(ARBHOME)/INCLUDE/arb_assert.h aditem.o: $(ARBHOME)/INCLUDE/arbdb_base.h aditem.o: $(ARBHOME)/INCLUDE/attributes.h adlang1.o: ad_lpro.h adlang1.o: ad_prot.h adlang1.o: ad_t_lpro.h adlang1.o: ad_t_prot.h adlang1.o: adGene.h adlang1.o: adlmacros.h adlang1.o: adlocal.h adlang1.o: adtune.h adlang1.o: arbdb.h adlang1.o: arbdbt.h adlang1.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adlang1.o: $(ARBHOME)/INCLUDE/arb_assert.h adlang1.o: $(ARBHOME)/INCLUDE/arbdb_base.h adlang1.o: $(ARBHOME)/INCLUDE/attributes.h adlink.o: ad_lpro.h adlink.o: ad_prot.h adlink.o: adlmacros.h adlink.o: adlocal.h adlink.o: adtune.h adlink.o: arbdb.h adlink.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adlink.o: $(ARBHOME)/INCLUDE/arb_assert.h adlink.o: $(ARBHOME)/INCLUDE/arbdb_base.h adlink.o: $(ARBHOME)/INCLUDE/attributes.h admalloc.o: ad_lpro.h admalloc.o: ad_prot.h admalloc.o: adlmacros.h admalloc.o: adlocal.h admalloc.o: adtune.h admalloc.o: arbdb.h admalloc.o: $(ARBHOME)/INCLUDE/ad_k_prot.h admalloc.o: $(ARBHOME)/INCLUDE/arb_assert.h admalloc.o: $(ARBHOME)/INCLUDE/arbdb_base.h admalloc.o: $(ARBHOME)/INCLUDE/attributes.h admap.o: ad_lpro.h admap.o: ad_prot.h admap.o: adlmacros.h admap.o: adlocal.h admap.o: admap.h admap.o: adtune.h admap.o: arbdb.h admap.o: $(ARBHOME)/INCLUDE/ad_k_prot.h admap.o: $(ARBHOME)/INCLUDE/arb_assert.h admap.o: $(ARBHOME)/INCLUDE/arbdb_base.h admap.o: $(ARBHOME)/INCLUDE/attributes.h admatch.o: ad_lpro.h admatch.o: ad_prot.h admatch.o: adlmacros.h admatch.o: adlocal.h admatch.o: adtune.h admatch.o: arbdb.h admatch.o: $(ARBHOME)/INCLUDE/ad_k_prot.h admatch.o: $(ARBHOME)/INCLUDE/arb_assert.h admatch.o: $(ARBHOME)/INCLUDE/arbdb_base.h admatch.o: $(ARBHOME)/INCLUDE/attributes.h admath.o: ad_lpro.h admath.o: ad_prot.h admath.o: adlmacros.h admath.o: adlocal.h admath.o: adtune.h admath.o: arbdb.h admath.o: $(ARBHOME)/INCLUDE/ad_k_prot.h admath.o: $(ARBHOME)/INCLUDE/arb_assert.h admath.o: $(ARBHOME)/INCLUDE/arbdb_base.h admath.o: $(ARBHOME)/INCLUDE/attributes.h adname.o: ad_config.h adname.o: ad_lpro.h adname.o: ad_prot.h adname.o: ad_t_lpro.h adname.o: ad_t_prot.h adname.o: adlmacros.h adname.o: adlocal.h adname.o: adtune.h adname.o: arbdb.h adname.o: arbdbt.h adname.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adname.o: $(ARBHOME)/INCLUDE/arb_assert.h adname.o: $(ARBHOME)/INCLUDE/arbdb_base.h adname.o: $(ARBHOME)/INCLUDE/attributes.h adoptimize.o: ad_lpro.h adoptimize.o: ad_prot.h adoptimize.o: ad_t_lpro.h adoptimize.o: ad_t_prot.h adoptimize.o: adlmacros.h adoptimize.o: adlocal.h adoptimize.o: adtune.h adoptimize.o: arbdb.h adoptimize.o: arbdbt.h adoptimize.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adoptimize.o: $(ARBHOME)/INCLUDE/arb_assert.h adoptimize.o: $(ARBHOME)/INCLUDE/arbdb_base.h adoptimize.o: $(ARBHOME)/INCLUDE/attributes.h adperl.o: ad_prot.h adperl.o: arbdb.h adperl.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adperl.o: $(ARBHOME)/INCLUDE/arb_assert.h adperl.o: $(ARBHOME)/INCLUDE/arbdb_base.h adperl.o: $(ARBHOME)/INCLUDE/attributes.h adquery.o: ad_lpro.h adquery.o: ad_prot.h adquery.o: adlmacros.h adquery.o: adlocal.h adquery.o: adtune.h adquery.o: arbdb.h adquery.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adquery.o: $(ARBHOME)/INCLUDE/arb_assert.h adquery.o: $(ARBHOME)/INCLUDE/arbdb_base.h adquery.o: $(ARBHOME)/INCLUDE/attributes.h adRevCompl.o: ad_prot.h adRevCompl.o: ad_t_prot.h adRevCompl.o: arbdb.h adRevCompl.o: arbdbt.h adRevCompl.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adRevCompl.o: $(ARBHOME)/INCLUDE/arb_assert.h adRevCompl.o: $(ARBHOME)/INCLUDE/arbdb_base.h adRevCompl.o: $(ARBHOME)/INCLUDE/attributes.h adseqcompr.o: ad_lpro.h adseqcompr.o: ad_prot.h adseqcompr.o: ad_t_lpro.h adseqcompr.o: ad_t_prot.h adseqcompr.o: adlmacros.h adseqcompr.o: adlocal.h adseqcompr.o: adtune.h adseqcompr.o: arbdb.h adseqcompr.o: arbdbt.h adseqcompr.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adseqcompr.o: $(ARBHOME)/INCLUDE/arb_assert.h adseqcompr.o: $(ARBHOME)/INCLUDE/arbdb_base.h adseqcompr.o: $(ARBHOME)/INCLUDE/attributes.h adsocket.o: ad_lpro.h adsocket.o: ad_prot.h adsocket.o: adlmacros.h adsocket.o: adlocal.h adsocket.o: adtune.h adsocket.o: arbdb.h adsocket.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adsocket.o: $(ARBHOME)/INCLUDE/arb_assert.h adsocket.o: $(ARBHOME)/INCLUDE/arbdb_base.h adsocket.o: $(ARBHOME)/INCLUDE/attributes.h adsort.o: ad_prot.h adsort.o: arbdb.h adsort.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adsort.o: $(ARBHOME)/INCLUDE/arb_assert.h adsort.o: $(ARBHOME)/INCLUDE/arbdb_base.h adsort.o: $(ARBHOME)/INCLUDE/attributes.h adstring.o: ad_lpro.h adstring.o: ad_prot.h adstring.o: adlmacros.h adstring.o: adlocal.h adstring.o: adtune.h adstring.o: arbdb.h adstring.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adstring.o: $(ARBHOME)/INCLUDE/arb_assert.h adstring.o: $(ARBHOME)/INCLUDE/arbdb_base.h adstring.o: $(ARBHOME)/INCLUDE/attributes.h adsystem.o: ad_lpro.h adsystem.o: ad_prot.h adsystem.o: ad_t_lpro.h adsystem.o: ad_t_prot.h adsystem.o: adlmacros.h adsystem.o: adlocal.h adsystem.o: adtune.h adsystem.o: arbdb.h adsystem.o: arbdbt.h adsystem.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adsystem.o: $(ARBHOME)/INCLUDE/arb_assert.h adsystem.o: $(ARBHOME)/INCLUDE/arbdb_base.h adsystem.o: $(ARBHOME)/INCLUDE/attributes.h adtables.o: ad_lpro.h adtables.o: ad_prot.h adtables.o: ad_t_lpro.h adtables.o: ad_t_prot.h adtables.o: adlmacros.h adtables.o: adlocal.h adtables.o: adtune.h adtables.o: arbdb.h adtables.o: arbdbt.h adtables.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adtables.o: $(ARBHOME)/INCLUDE/arb_assert.h adtables.o: $(ARBHOME)/INCLUDE/arbdb_base.h adtables.o: $(ARBHOME)/INCLUDE/attributes.h adtcp.o: ad_lpro.h adtcp.o: ad_prot.h adtcp.o: ad_t_lpro.h adtcp.o: ad_t_prot.h adtcp.o: adlmacros.h adtcp.o: adlocal.h adtcp.o: adtune.h adtcp.o: arbdb.h adtcp.o: arbdbt.h adtcp.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adtcp.o: $(ARBHOME)/INCLUDE/arb_assert.h adtcp.o: $(ARBHOME)/INCLUDE/arbdb_base.h adtcp.o: $(ARBHOME)/INCLUDE/attributes.h adTest.o: ad_lpro.h adTest.o: ad_prot.h adTest.o: adlmacros.h adTest.o: adlocal.h adTest.o: admap.h adTest.o: adtune.h adTest.o: arbdb.h adTest.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adTest.o: $(ARBHOME)/INCLUDE/arb_assert.h adTest.o: $(ARBHOME)/INCLUDE/arbdb_base.h adTest.o: $(ARBHOME)/INCLUDE/attributes.h adtools.o: ad_lpro.h adtools.o: ad_prot.h adtools.o: ad_t_lpro.h adtools.o: ad_t_prot.h adtools.o: adlmacros.h adtools.o: adlocal.h adtools.o: adtune.h adtools.o: arbdb.h adtools.o: arbdbt.h adtools.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adtools.o: $(ARBHOME)/INCLUDE/arb_assert.h adtools.o: $(ARBHOME)/INCLUDE/arbdb_base.h adtools.o: $(ARBHOME)/INCLUDE/attributes.h adtree.o: ad_lpro.h adtree.o: ad_prot.h adtree.o: ad_t_lpro.h adtree.o: ad_t_prot.h adtree.o: adlmacros.h adtree.o: adlocal.h adtree.o: adtune.h adtree.o: arbdb.h adtree.o: arbdbt.h adtree.o: $(ARBHOME)/INCLUDE/ad_k_prot.h adtree.o: $(ARBHOME)/INCLUDE/arb_assert.h adtree.o: $(ARBHOME)/INCLUDE/arbdb_base.h adtree.o: $(ARBHOME)/INCLUDE/attributes.h adtune.o: adtune.h arbdb.o: ad_lpro.h arbdb.o: ad_prot.h arbdb.o: adlmacros.h arbdb.o: adlocal.h arbdb.o: adtune.h arbdb.o: arbdb.h arbdb.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arbdb.o: $(ARBHOME)/INCLUDE/arb_assert.h arbdb.o: $(ARBHOME)/INCLUDE/arbdb_base.h arbdb.o: $(ARBHOME)/INCLUDE/attributes.h arbdbpp.o: ad_prot.h arbdbpp.o: ad_t_prot.h arbdbpp.o: arbdb.h arbdbpp.o: arbdbt.h arbdbpp.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arbdbpp.o: $(ARBHOME)/INCLUDE/arb_assert.h arbdbpp.o: $(ARBHOME)/INCLUDE/arbdb_base.h arbdbpp.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/ARBDB/Synchronized_Alignments.txt0000644012664100000130000000436111440743000021347 0ustar arb_buildcoders *** This is just a draft, it's not implemented *** Automatic synchronization of DNA- and Protein-Alignments ======================================================== - An alignment ALI_1 may have a subitem named 'synced_alignment' which contains the name of an other alignment ALI_2 (datapath: /preset/ali_1/synced_alignment). In this case .. * .. ALI_2 has to have an 'synced_alignment'-entry containing the name of ALI_1 and .. * .. one of these alignments has to be a DNA-alignment, the other one has to be a protein-alignment (we call them ALI_DNA and ALI_PRO). Such alignments are called _synced alignments_. - Species-data residing below a synced alignment may have a 'sync_flag' (datapath: /species_data/species_xxx/ali_dna/sync_flag). sync_flag-value meaning -------------------------------------------------------------------------------- SYNC_NOT species should not be synchronized (this is the default value in case of missing sync_flag). SYNC_OK both alignments (ALI_DNA and ALI_PRO) are synchronized. SYNC_PRO ALI_PRO is not up to date and has to be re-translated. SYNC_DNA ALI_DNA is not up to date and has to be re-aligned. * If /species_data/species_xxx/ali_dna does not exist no synchronization will be done for this species!! - Changed read/write-mechanism for synchronized alignments (this affects only .../ali_xx/data): * reading ali_dna/data: if sync_flag==SYNC_DNA => re-align; read data; * reading ali_pro/data: if sync_flag==SYNC_PRO => translate; read data; * writing ali_dna/data: write data; if sync_flag!=SYNC_NOT => sf=SYNC_PRO; mc=ali_pro; * writing ali_pro/data: write data; if sync_flag!=SYNC_NOT => sf=SYNC_DNA; mc=ali_dna; sf= set sync_flag to mc= mark data below as changed (to force refresh in editor) - Due to performance issues it's possible to bypass the automatic synchronization: 1. force_synchronize(species); 2. ./arbsrc_9167/arb_DEBUG.txt0000644012664100000130000000226011213220016015336 0ustar arb_buildcoders Some tips for debugging ARB --------------------------- - if a file named 'gb_core' exists in $(ARBHOME) then ARB dumps a core file (that means it will interrupt the program when called from debugger) - Several variables/macros control how ARB performs several things: name default default what it does NDEBUG DEBUG -------------------------------------------------------------------------------- AUTO_FLUSH empty empty forces a flush after many motif drawing commands => drawing gets visible instantly. To activate this behavior uncomment the non-empty version of the macro. Normally it should be empty in DEBUG mode! ALWAYS it should be empty in NDEBUG mode!!! MEMORY_TEST 0 1 activates special fast-load-file compatible memory ./arbsrc_9167/ARB_GDE/GDE_arbdb_io.cxx0000644012664100000130000003736611440743001017177 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include "gde.hxx" #include "GDE_def.h" #include "GDE_menu.h" #include "GDE_extglob.h" #include "AW_rename.hxx" typedef unsigned int UINT; static int Arbdb_get_curelem(NA_Alignment *dataset) { int curelem; curelem = dataset->numelements++; if (curelem == 0) { dataset->element = (NA_Sequence *) Calloc(5, sizeof(NA_Sequence)); dataset->maxnumelements = 5; } else if (curelem == dataset->maxnumelements) { (dataset->maxnumelements) *= 2; dataset->element = (NA_Sequence *) Realloc((char *)dataset->element, dataset->maxnumelements * sizeof(NA_Sequence)); } return curelem; } extern int Default_PROColor_LKUP[],Default_NAColor_LKUP[]; static int InsertDatainGDE(NA_Alignment *dataset,GBDATA **the_species,unsigned char **the_names, unsigned char **the_sequences, unsigned long numberspecies, unsigned long maxalignlen, AP_filter *filter, GapCompression compress, bool cutoff_stop_codon) { GBDATA *gb_name; GBDATA *gb_species; GBDATA *gbd; int newfiltercreated = 0; NA_Sequence *this_elem; gde_assert((the_species==0) != (the_names==0)); if (filter==0) { filter = new AP_filter; filter->init(maxalignlen); newfiltercreated=1; } else { size_t fl = filter->filter_len; if (fl < maxalignlen) { aw_message("Warning: Your filter is shorter than the alignment len"); maxalignlen = fl; } } size_t *seqlen=(size_t *)calloc((unsigned int)numberspecies,sizeof(size_t)); // sequences may have different length { unsigned long i; for (i=0;ireal_len; unsigned long i; for (i=0;ifilter_mask[col]) && (c!='-') && (c!='.')) { sequfilt[i][newcount++] = c; } } } } else { if (compress==COMPRESS_VERTICAL_GAPS || // compress vertical gaps (and '.') compress == COMPRESS_NONINFO_COLUMNS) // and additionally all columns containing no info (only N or X) { size_t i; bool isInfo[256]; for (i=0; i<256; i++) isInfo[i] = true; isInfo[UINT('-')] = false; isInfo[UINT('.')] = false; if (compress == COMPRESS_NONINFO_COLUMNS) { GB_alignment_type type = GBT_get_alignment_type(dataset->gb_main, dataset->alignment_name); switch (type) { case GB_AT_RNA: case GB_AT_DNA: isInfo[UINT('N')] = false; isInfo[UINT('n')] = false; break; case GB_AT_AA: isInfo[UINT('X')] = false; isInfo[UINT('x')] = false; break; default: gde_assert(0); break; } } for (i=0; ifilter_mask[i]) { bool wantColumn = false; for (size_t n=0; n take column break; } } } if (!wantColumn) { filter->filter_mask[i] = 0; filter->real_len--; } } } } long len = filter->real_len; size_t i; for (i=0;ifilter_mask[col]) { sequfilt[i][newcount++] = filter->simplify[c]; } } } } { GB_transaction dummy(GLOBAL_gb_main); char *str = filter->to_string(); GB_ERROR error = GBT_write_string(GLOBAL_gb_main, AWAR_GDE_EXPORT_FILTER, str); delete [] str; if (error) aw_message(error); } free(seqlen); long number = 0; int curelem; int bad_names = 0; if (the_species) { for (gb_species = the_species[number]; gb_species; gb_species = the_species[++number] ) { if ((number/10)*10==number) { if (aw_status((double)number/(double)numberspecies)) { return 1; } } gb_name = GB_entry(gb_species,"name"); curelem = Arbdb_get_curelem(dataset); this_elem = &(dataset->element[curelem]); InitNASeq(this_elem,RNA); this_elem->attr = DEFAULT_X_ATTR; this_elem->gb_species = gb_species; strncpy(this_elem->short_name,GB_read_char_pntr(gb_name),31); if (AWTC_name_quality(this_elem->short_name) != 0) bad_names++; gbd = GB_entry(gb_species,"author"); if (gbd) strncpy(this_elem->authority,GB_read_char_pntr(gbd),79); gbd = GB_entry(gb_species,"full_name"); if (gbd) strncpy(this_elem->seq_name,GB_read_char_pntr(gbd),79); gbd = GB_entry(gb_species,"acc"); if (gbd) { strncpy(this_elem->id,GB_read_char_pntr(gbd),79); } { AppendNA((NA_Base *)sequfilt[number],strlen((const char *)sequfilt[number]),this_elem); freeset(sequfilt[number], 0); } this_elem->comments = strdup("no comments"); this_elem->comments_maxlen = 1 + (this_elem->comments_len = strlen(this_elem->comments)); // if (this_elem->rmatrix && // IS_REALLY_AA == false) { // if (IS_REALLY_AA == false) // Ascii2NA((char *)this_elem->sequence, // this_elem->seqlen, // this_elem->rmatrix); // else /* * Force the sequence to be AA */ { this_elem->elementtype = TEXT; this_elem->rmatrix = NULL; this_elem->tmatrix = NULL; this_elem->col_lut = Default_PROColor_LKUP; } // } } } else { // use the_names unsigned char *species_name; for (species_name=the_names[number]; species_name; species_name=the_names[++number]) { if ((number/10)*10==number) { if (aw_status((double)number/(double)numberspecies)) { return 1; } } curelem = Arbdb_get_curelem(dataset); this_elem = &(dataset->element[curelem]); InitNASeq(this_elem, RNA); this_elem->attr = DEFAULT_X_ATTR; this_elem->gb_species = 0; strncpy((char*)this_elem->short_name, (char*)species_name, 31); if (AWTC_name_quality(this_elem->short_name) != 0) bad_names++; this_elem->authority[0] = 0; this_elem->seq_name[0] = 0; this_elem->id[0] = 0; { AppendNA((NA_Base *)sequfilt[number],strlen((const char *)sequfilt[number]),this_elem); delete sequfilt[number]; sequfilt[number] = 0; } this_elem->comments = strdup("no comments"); this_elem->comments_maxlen = 1 + (this_elem->comments_len = strlen(this_elem->comments)); { this_elem->elementtype = TEXT; this_elem->rmatrix = NULL; this_elem->tmatrix = NULL; this_elem->col_lut = Default_PROColor_LKUP; } } } if (bad_names) { aw_message(GBS_global_string("Problematic names found: %i\n" "External program call may fail or produce invalid results.\n" "You might want to use 'Generate new names' and read the associated help.", bad_names)); } { unsigned long i; for (i=0;inumelements;i++) { dataset->maxlen = MAX(dataset->maxlen, dataset->element[i].seqlen+dataset->element[i].offset); } for (i=0;igb_main = GLOBAL_gb_main; GBDATA **the_species; long maxalignlen; long numberspecies = 0; uchar **the_sequences; uchar **the_names; char *error = gde_cgss.get_sequences(gde_cgss.THIS, the_species, the_names, the_sequences, numberspecies, maxalignlen); gde_assert((the_species==0) != (the_names==0)); if (error) { aw_message(error); return 1; } InsertDatainGDE(dataset,0,the_names,(unsigned char **)the_sequences,numberspecies,maxalignlen,filter,compress, cutoff_stop_codon); long i; for (i=0;igb_main = GLOBAL_gb_main; /* Alignment choosen ? */ gb_species_data = GB_entry(dataset->gb_main,"species_data"); ErrorOut5(gb_species_data!=0,"species_data not found"); long maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main,dataset->alignment_name); GBDATA **the_species; long numberspecies = 0; long missingdata = 0; if (marked) gb_species = GBT_first_marked_species_rel_species_data(gb_species_data); else gb_species = GBT_first_species_rel_species_data(gb_species_data); while(gb_species) { if (GBT_read_sequence(gb_species,dataset->alignment_name)) numberspecies++; else missingdata++; if (marked) gb_species = GBT_next_marked_species(gb_species); else gb_species = GBT_next_species(gb_species); } if (missingdata) { aw_message(GBS_global_string("Skipped %li species which did not contain data in '%s'", missingdata, dataset->alignment_name)); } the_species = (GBDATA**)calloc((unsigned int)numberspecies+1,sizeof(GBDATA*)); numberspecies = 0; if (marked) gb_species = GBT_first_marked_species_rel_species_data(gb_species_data); else gb_species = GBT_first_species_rel_species_data(gb_species_data); while(gb_species) { if (GBT_read_sequence(gb_species,dataset->alignment_name)) { the_species[numberspecies]=gb_species; numberspecies++; } if (marked) gb_species = GBT_next_marked_species(gb_species); else gb_species = GBT_next_species(gb_species); } maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main,dataset->alignment_name); char **the_sequences = (char**)calloc((unsigned int)numberspecies+1, sizeof(char*)); long i; for (i=0;the_species[i];i++) { the_sequences[i]= (char *)malloc((size_t)maxalignlen+1); the_sequences[i][maxalignlen] = 0; memset(the_sequences[i],'.',(size_t)maxalignlen); const char *data = GB_read_char_pntr( GBT_read_sequence(the_species[i],dataset->alignment_name)); int size = strlen(data); if (size > maxalignlen) size = (int)maxalignlen; strncpy(the_sequences[i],data,size); //printf("%s \n",the_sequences[i]); } InsertDatainGDE(dataset,the_species,0,(unsigned char **)the_sequences, numberspecies,maxalignlen,filter,compress, cutoff_stop_codon); for (i=0;iseqlen == 0) return -1; if (boffset || (b>a->offset+a->seqlen)) { switch(a->elementtype) { case DNA: case RNA: return 0; case PROTEIN: case TEXT: return '~'; case MASK: return '0'; default: return '-'; } } return a->sequence[b-a->offset]; } void putelem(NA_Sequence *a,int b,NA_Base c) { int j; NA_Base *temp; if (b>=(a->offset+a->seqmaxlen)) { Warning("Putelem:insert beyond end of sequence space ignored"); } else if (b >= (a->offset)) { a->sequence[b-(a->offset)] = c; } else { temp =(NA_Base*)Calloc(a->seqmaxlen+a->offset-b, sizeof(NA_Base)); switch (a->elementtype) { /* * Pad out with gap characters fron the point of insertion to the offset */ case MASK: for (j=b;joffset;j++) temp[j-b]='0'; break; case DNA: case RNA: for (j=b;joffset;j++) temp[j-b]='\0'; break; case PROTEIN: for (j=b;joffset;j++) temp[j-b]='-'; break; case TEXT: default: for (j=b;joffset;j++) temp[j-b]=' '; break; } for (j=0;jseqmaxlen;j++) temp[j+a->offset-b] = a->sequence[j]; Cfree((char*)a->sequence); a->sequence = temp; a->seqlen += (a->offset - b); a->seqmaxlen += (a->offset - b); a->offset = b; a->sequence[0] = c; } } ./arbsrc_9167/ARB_GDE/GDE_awars.h0000644012664100000130000000222511213220015016153 0ustar arb_buildcoders// =============================================================== // // // // File : GDE_awars.h // // Purpose : Declare AWARS used by ARB-GDE-interface // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2008 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef GDE_AWARS_H #define GDE_AWARS_H #define AWAR_GDE_ALIGNMENT "tmp/gde/alignment" #define AWAR_GDE_CUTOFF_STOPCODON "gde/cutoff_stop_codon" #define AWAR_GDE_SPECIES "gde/species" #define AWAR_GDE_COMPRESSION "gde/compress" #define AWAR_GDE_FILTER_NAME "gde/filter/name" #define AWAR_GDE_FILTER_FILTER "gde/filter/filter" #define AWAR_GDE_FILTER_ALIGNMENT "gde/filter/alignment" #else #error GDE_awars.h included twice #endif // GDE_AWARS_H ./arbsrc_9167/ARB_GDE/GDE.cxx0000644012664100000130000004724011440743001015346 0ustar arb_buildcoders#include #include #include #include #include #include // #include #include #include #include #include #include #include "gde.hxx" #include "GDE_menu.h" #include "GDE_def.h" #include "GDE_extglob.h" #include "GDE_awars.h" adfiltercbstruct *agde_filtercd = 0; Gmenu menu[GDEMAXMENU]; int num_menus = 0,repeat_cnt = 0; //Frame frame,pframe,infoframe; //Panel popup,infopanel; //Panel_item left_foot,right_foot; //Canvas EditCan,EditNameCan; int DisplayType; GmenuItem *current_item; NA_Alignment *DataSet = NULL; char GDEBLANK[] = "\0"; #define SLIDERWIDTH 5 // input field width for numbers static void GDE_showhelp_cb(AW_window *aw, GmenuItem *gmenuitem, AW_CL /*cd*/) { const char *help_file = gmenuitem->help; if (help_file) { char *agde_help_file = GBS_string_eval(help_file, "*.help=agde_*1.hlp", 0); AW_POPUP_HELP(aw, (AW_CL)agde_help_file); free(agde_help_file); } else { aw_message("Sorry - no help available (please report to devel@arb-home.de)"); } } char *GDE_makeawarname(GmenuItem *gmenuitem,long i) { char name[GB_KEY_LEN_MAX*4+5]; char *gmenu_label = GBS_string_2_key(gmenuitem->parent_menu->label); char *gmenuitem_label = GBS_string_2_key(gmenuitem->label); char *arg = GBS_string_2_key(gmenuitem->arg[i].symbol); sprintf(name,"gde/%s/%s/%s", gmenu_label, gmenuitem_label, arg); free(gmenu_label); free(gmenuitem_label); free(arg); return(strdup(name)); } static void GDE_slide_awar_int_cb(AW_window *aws, AW_CL cl_awar_name, AW_CL cd_diff) { int diff = (int)cd_diff; AW_awar *awar = aws->get_root()->awar((const char *)cl_awar_name); awar->write_int(awar->read_int()+diff); } static void GDE_slide_awar_float_cb(AW_window *aws, AW_CL cl_awar_name, AW_CL cd_diff) { double diff = *(double*)cd_diff; AW_awar *awar = aws->get_root()->awar((const char *)cl_awar_name); double new_val = awar->read_float()+diff; if (fabs(new_val) < 0.0001) new_val = 0.0; awar->write_float(new_val); // do it again (otherwise internal awar-range correction sometimes leads to 1+eXX values) new_val = awar->read_float(); if (fabs(new_val) < 0.0001) new_val = 0.0; awar->write_float(new_val); } static void GDE_create_infieldwithpm(AW_window *aws,char *newawar,long width) { char *awar=strdup(newawar); aws->create_input_field(newawar,(int)width); if (aws->get_root()->awar(newawar)->get_type() == AW_INT) { aws->button_length(3); aws->callback(GDE_slide_awar_int_cb,(AW_CL)awar,-1); aws->create_button(0,"-","-"); aws->callback(GDE_slide_awar_int_cb,(AW_CL)awar,+1); aws->create_button(0,"+","+"); } else if (aws->get_root()->awar(newawar)->get_type() == AW_FLOAT) { aws->button_length(3); aws->callback(GDE_slide_awar_float_cb,(AW_CL)awar,(AW_CL)new double(-0.1)); aws->create_button(0,"-","-"); aws->callback(GDE_slide_awar_float_cb,(AW_CL)awar,(AW_CL)new double(+0.1)); aws->create_button(0,"+","+"); } } static char *gde_filter_weights(GBDATA *gb_sai,AW_CL ){ char *ali_name = GBT_get_default_alignment(GB_get_root(gb_sai)); GBDATA *gb_ali = GB_entry(gb_sai,ali_name); char *result = 0; if (gb_ali) { GBDATA *gb_type = GB_entry(gb_ali, "_TYPE"); if (gb_type) { const char *type = GB_read_char_pntr(gb_type); if (GBS_string_matches( type,"PV?:*",GB_MIND_CASE)) { result = GBS_global_string_copy("%s: %s", GBT_read_name(gb_sai), type); } } } free(ali_name); return result; } static AW_window *GDE_menuitem_cb(AW_root *aw_root,GmenuItem *gmenuitem) { #define BUFSIZE 200 char bf[BUFSIZE+1]; #if defined(ASSERTION_USED) int printed = #endif // ASSERTION_USED sprintf(bf,"GDE / %s / %s",gmenuitem->parent_menu->label,gmenuitem->label); gb_assert(printed<=BUFSIZE); char seqtype = gmenuitem->seqtype; if (gmenuitem->aws == NULL) { AW_window_simple *aws = new AW_window_simple; aws->init(aw_root,bf,bf); switch (gde_cgss.wt) { case CGSS_WT_DEFAULT: { if (seqtype == '-') aws->load_xfig("gdeitem_simple.fig"); else aws->load_xfig("gdeitem.fig"); break; } case CGSS_WT_EDIT: gde_assert(seqtype != '-'); aws->load_xfig("gde2item.fig"); break; case CGSS_WT_EDIT4: gde_assert(seqtype != '-'); aws->load_xfig("gde3item.fig"); break; default: gde_assert(0); } aws->set_window_size(1000,2000); aws->button_length(10); aws->at(10,10); aws->auto_space(0,10); aws->at("help"); aws->callback((AW_CB2)GDE_showhelp_cb,(AW_CL)gmenuitem,0); aws->create_button("GDE_HELP","HELP...","H"); aws->at("start"); aws->callback((AW_CB2)GDE_startaction_cb,(AW_CL)gmenuitem,0); aws->create_button("GO", "GO","O"); aws->at("cancel"); aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CLOSE","C"); if (gmenuitem->numinputs>0) { switch (gde_cgss.wt) { case CGSS_WT_DEFAULT: { if (seqtype != '-') { // '-' means "skip sequence export" aws->at("which_alignment"); const char *ali_filter = seqtype == 'A' ? "pro=:ami=" : (seqtype == 'N' ? "dna=:rna=" : "*="); awt_create_selection_list_on_ad(GLOBAL_gb_main, (AW_window *)aws, AWAR_GDE_ALIGNMENT, ali_filter); aws->at( "which_species" ); aws->create_toggle_field(AWAR_GDE_SPECIES); aws->insert_toggle( "all", "a", 0 ); aws->insert_default_toggle( "marked", "m", 1 ); aws->update_toggle_field(); if (seqtype != 'N') { aws->at("stop_codon"); aws->label("Cut stop-codon"); aws->create_toggle(AWAR_GDE_CUTOFF_STOPCODON); } } break; } case CGSS_WT_EDIT: aws->at("bottom"); aws->create_toggle("gde/bottom_area"); aws->at("bottomsai"); aws->create_toggle("gde/bottom_area_sai"); aws->at("bottomh"); aws->create_toggle("gde/bottom_area_helix"); goto both_edits; case CGSS_WT_EDIT4: aws->at("topk"); aws->create_toggle("gde/top_area_kons"); aws->at("middlek"); aws->create_toggle("gde/middle_area_kons"); aws->at("topr"); aws->create_toggle("gde/top_area_remark"); aws->at("middler"); aws->create_toggle("gde/middle_area_remark"); goto both_edits; both_edits: aws->at("top"); aws->create_toggle("gde/top_area"); aws->at("topsai"); aws->create_toggle("gde/top_area_sai"); aws->at("toph"); aws->create_toggle("gde/top_area_helix"); aws->at("middle"); aws->create_toggle("gde/middle_area"); aws->at("middlesai"); aws->create_toggle("gde/middle_area_sai"); aws->at("middleh"); aws->create_toggle("gde/middle_area_helix"); break; } if (seqtype != '-') { aws->at("compression"); aws->create_option_menu(AWAR_GDE_COMPRESSION, "", ""); aws->insert_option("none", "n", COMPRESS_NONE); aws->insert_option("vertical gaps", "v", COMPRESS_VERTICAL_GAPS); aws->insert_default_option("columns w/o info", "i", COMPRESS_NONINFO_COLUMNS); aws->insert_option("all gaps", "g", COMPRESS_ALL); aws->update_option_menu(); aws->button_length(12); aws->at("filtername"); if (!agde_filtercd) { // create only one filter - used for all GDE calls agde_filtercd = awt_create_select_filter(aws->get_root(),GLOBAL_gb_main, AWAR_GDE_FILTER_NAME); } aws->callback((AW_CB2)AW_POPUP, (AW_CL)awt_create_select_filter_win, (AW_CL)agde_filtercd); aws->create_button("SELECT_FILTER", AWAR_GDE_FILTER_NAME); } aws->at("paramsb"); } else { aws->at("paramsb"); } int labellength = 1; long i; for (i=0;inumargs;i++) { if(!(gmenuitem->arg[i].label)) gmenuitem->arg[i].label = GDEBLANK; const char *label = gmenuitem->arg[i].label; const char *linefeed = strchr(label, '\n'); int lablen; while (linefeed) { lablen = linefeed-label; if (lablen>labellength) { labellength = lablen; } label = linefeed+1; linefeed = strchr(label, '\n'); } lablen = strlen(label); if (lablen>labellength) { labellength = lablen; } } aws->label_length(labellength); aws->auto_space(0,0); for (i=0;inumargs;i++) { GmenuItemArg itemarg=gmenuitem->arg[i]; if(itemarg.type==SLIDER) { char *newawar=GDE_makeawarname(gmenuitem,i); if ( int(gmenuitem->arg[i].fvalue) == gmenuitem->arg[i].fvalue && int(gmenuitem->arg[i].min) == gmenuitem->arg[i].min && int(gmenuitem->arg[i].max) == gmenuitem->arg[i].max){ aw_root->awar_int(newawar,(long)gmenuitem->arg[i].fvalue,AW_ROOT_DEFAULT); }else{ aw_root->awar_float(newawar,gmenuitem->arg[i].fvalue,AW_ROOT_DEFAULT); } aw_root->awar(newawar)->set_minmax(gmenuitem->arg[i].min,gmenuitem->arg[i].max); aws->label(gmenuitem->arg[i].label); GDE_create_infieldwithpm(aws,newawar,SLIDERWIDTH); // maybe bound checking // free(newawar); } else if(itemarg.type==CHOOSER) { char *defopt = itemarg.choice[0].method; char *newawar = GDE_makeawarname(gmenuitem,i); AW_awar *curr_awar = aw_root->awar_string(newawar,defopt,AW_ROOT_DEFAULT); char *curr_value = curr_awar->read_string(); bool curr_value_legal = false; aws->label(gmenuitem->arg[i].label); if ((strcasecmp(itemarg.choice[0].label,"no") == 0) || (strcasecmp(itemarg.choice[0].label,"yes") == 0)) { aws->create_toggle_field(newawar,1); } else { aws->create_toggle_field(newawar); } for(long j=0;jinsert_default_toggle(itemarg.choice[j].label,"1", itemarg.choice[j].method); } else { aws->insert_toggle(itemarg.choice[j].label,"1", itemarg.choice[j].method); } } if (!curr_value_legal) curr_awar->write_string(defopt); // if saved value no longer occurs in choice -> overwrite with default free(curr_value); aws->update_toggle_field(); free(newawar); } else if(itemarg.type==CHOICE_MENU) { char *defopt = itemarg.choice[itemarg.ivalue].method; char *newawar = GDE_makeawarname(gmenuitem,i); AW_awar *curr_awar = aw_root->awar_string(newawar,defopt,AW_ROOT_DEFAULT); char *curr_value = curr_awar->read_string(); bool curr_value_legal = false; aws->label(gmenuitem->arg[i].label); aws->create_option_menu(newawar,NULL,""); for(long j=0;jinsert_option(itemarg.choice[j].label,"1", itemarg.choice[j].method); } if (!curr_value_legal) curr_awar->write_string(defopt); // if saved value no longer occurs in choice -> overwrite with default free(curr_value); aws->update_option_menu(); free(newawar); } else if(itemarg.type==TEXTFIELD) { char *defopt = itemarg.textvalue; char *newawar = GDE_makeawarname(gmenuitem,i); aw_root->awar_string(newawar,defopt,AW_ROOT_DEFAULT); aws->label(gmenuitem->arg[i].label); aws->create_input_field(newawar,itemarg.textwidth/*TEXTFIELDWIDTH*/); free(newawar); } else if(itemarg.type==CHOICE_TREE) { char *defopt=itemarg.textvalue; char *newawar=GDE_makeawarname(gmenuitem,i); aw_root->awar_string(newawar,defopt,AW_ROOT_DEFAULT); aws->label(gmenuitem->arg[i].label); awt_create_selection_list_on_trees(GLOBAL_gb_main,aws,newawar); free(newawar); } else if(itemarg.type==CHOICE_SAI) { char *defopt=itemarg.textvalue; char *newawar=GDE_makeawarname(gmenuitem,i); aw_root->awar_string(newawar,defopt,AW_ROOT_DEFAULT); aws->label(gmenuitem->arg[i].label); awt_create_selection_list_on_extendeds(GLOBAL_gb_main,aws,newawar); free(newawar); } else if(itemarg.type==CHOICE_WEIGHTS) { char *defopt=itemarg.textvalue; char *newawar=GDE_makeawarname(gmenuitem,i); aw_root->awar_string(newawar,defopt,AW_ROOT_DEFAULT); aws->label(gmenuitem->arg[i].label); void *id = awt_create_selection_list_on_extendeds(GLOBAL_gb_main,aws,newawar,gde_filter_weights); free(newawar); aw_root->awar(AWAR_GDE_ALIGNMENT)->add_callback((AW_RCB1)awt_create_selection_list_on_extendeds_update,(AW_CL)id); } aws->at_newline(); // if((gmenuitem->numargs<8) || GDE_odd(i)) aws->at_newline(); // else aws->at_shift( 50,0 ); } aws->at_newline(); aws->window_fit(); gmenuitem->aws = aws; } return gmenuitem->aws; #undef BUFSIZE } void GDE_load_menu(AW_window *awm, AW_active mask, const char *menulabel, const char *menuitemlabel) { // Load GDE menu items. // // If 'menulabel' == NULL -> load all menus // Else -> load specified menu // // If 'menuitemlabel' == NULL -> load complete menu(s) // Else -> load only specific menu topic char buffer[1024]; char *help; long nitem,num_items; GmenuItem *menuitem; char hotkey[] = "x"; bool menuloaded = false; bool itemloaded = false; for (long nmenu = 0; nmenuinsert_sub_menu(menuname, hotkey); } } menuloaded = true; num_items = menu[nmenu].numitems; for (nitem=0; nitemlabel,menuitemlabel) == 0) { itemloaded = true; if (menuitem->help) { sprintf(buffer,"GDEHELP/%s",menuitem->help); help = strdup(buffer); } else { help = 0; } hotkey[0] = menuitem->meta; awm->insert_menu_topic(0,menuitem->label,hotkey, help, mask, AW_POPUP, (AW_CL)GDE_menuitem_cb, (AW_CL)menuitem); } } if (!menulabel){ awm->close_sub_menu(); } } if (!menuloaded && menulabel) { fprintf(stderr, "GDE-Warning: Could not find requested menu '%s'\n", menulabel); } if (!itemloaded && menuitemlabel) { if (menulabel) { fprintf(stderr, "GDE-Warning: Could not find requested topic '%s' in menu '%s'\n", menuitemlabel, menulabel); } else { fprintf(stderr, "GDE-Warning: Could not find requested topic '%s'\n", menuitemlabel); } } } struct choose_get_sequence_struct gde_cgss = { 0, CGSS_WT_DEFAULT, 0 }; void create_gde_var(AW_root *aw_root, AW_default aw_def, char *(*get_sequences)(void *THIS, GBDATA **&the_species, uchar **&the_names, uchar **&the_sequences, long &numberspecies,long &maxalignlen), gde_cgss_window_type wt, void *THIS) { gde_cgss.get_sequences= get_sequences; gde_cgss.wt = wt; gde_cgss.THIS= THIS; // aw_root->awar_string("tmp/gde/helptext", "help", aw_def); // only occurrence aw_root->awar_string(AWAR_GDE_ALIGNMENT, "", aw_def); switch (gde_cgss.wt) { case CGSS_WT_EDIT4: aw_root->awar_int("gde/top_area_kons",1,aw_def); aw_root->awar_int("gde/top_area_remark",1,aw_def); aw_root->awar_int("gde/middle_area_kons",1,aw_def); aw_root->awar_int("gde/middle_area_remark",1,aw_def); case CGSS_WT_EDIT: aw_root->awar_int("gde/top_area",1,aw_def); aw_root->awar_int("gde/top_area_sai",1,aw_def); aw_root->awar_int("gde/top_area_helix",1,aw_def); aw_root->awar_int("gde/middle_area",1,aw_def); aw_root->awar_int("gde/middle_area_sai",1,aw_def); aw_root->awar_int("gde/middle_area_helix",1,aw_def); aw_root->awar_int("gde/bottom_area",1,aw_def); aw_root->awar_int("gde/bottom_area_sai",1,aw_def); aw_root->awar_int("gde/bottom_area_helix",1,aw_def); default: break; } aw_root->awar_string("presets/use", "", GLOBAL_gb_main); aw_root->awar_string(AWAR_GDE_FILTER_NAME, "", aw_def); aw_root->awar_string(AWAR_GDE_FILTER_FILTER, "", aw_def); aw_root->awar_string(AWAR_GDE_FILTER_ALIGNMENT, "", aw_def); aw_root->awar_int(AWAR_GDE_CUTOFF_STOPCODON, 0, aw_def); aw_root->awar_int(AWAR_GDE_SPECIES, 1, aw_def); aw_root->awar_int(AWAR_GDE_COMPRESSION, COMPRESS_NONINFO_COLUMNS, aw_def); aw_root->awar(AWAR_GDE_ALIGNMENT)->map("presets/use"); aw_root->awar(AWAR_GDE_FILTER_ALIGNMENT)->map("presets/use"); DataSet = (NA_Alignment *) Calloc(1,sizeof(NA_Alignment)); DataSet->rel_offset = 0; ParseMenu(); } ./arbsrc_9167/ARB_GDE/GDE_def.h0000644012664100000130000001556011440743001015611 0ustar arb_buildcoders/* Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. All rights reserved. */ #define TRUTH 1 #define JUSTICE 2 #define BEAUTY 3 /* * Cursor directions */ #define RIGHT 1 #define LEFT 0 #define UP 0 #define DOWN 1 #ifndef TRUE #define TRUE 1 #define FALSE 0 #endif #define GBUFSIZ 4096 #define MAX_NA_DISPLAY_WIDTH 1024 #define MAX_NA_DISPLAY_HEIGHT 1024 #define MAX_STARTUP_CANVAS_HEIGHT 512 #define grey_height 8 #define grey_width 8 #define TEXTFIELDWIDTH 15 /* * Definable dialog types */ #define TEXTFIELD 0x1 #define SLIDER 0x2 #define CHOOSER 0x3 #define CHOICE_MENU 0x4 #define CHOICE_LIST 0x5 #define CHOICE_TREE 0x6 #define CHOICE_SAI 0x7 #define CHOICE_WEIGHTS 0x8 /* * File Formats */ #define GDE 0x100 #define GENBANK 0x101 #define NA_FLAT 0x102 #define COLORMASK 0x103 #define STATUS_FILE 0x104 #define ARBDB 0x105 /* * Protection bits */ #define PROT_BASE_CHANGES 0x1 /* Allow base changes */ #define PROT_GREY_SPACE 0x2 /* Allow greyspace modification */ #define PROT_WHITE_SPACE 0x4 /* Allow whitespace modification */ #define PROT_TRANSLATION 0x8 /* Allow translation */ #define PROT_REORIENTATION 0x10 /* Allow reorientation */ /* * File loading methods (must be 'OR/AND' able) */ #define NONE 0x0 #define DESTROY 0x1 #define LOAD 0x2 #define SAVE 0x4 #define SELECTED 0x8 #define ALL 0x10 #define SELECT_REGION 0x20 #define SELECT_ONE 0x30 /* * Sequence DISPLAY Types */ #define NASEQ_ALIGN 0x201 #define NASEQ 0x202 /* * Sequence Data Types */ #define DNA 0x300 #define RNA 0x301 #define TEXT 0x302 #define MASK 0x303 #define PROTEIN 0x304 /* * extended sequence attributes (true/false) */ #define IS_5_TO_3 0x01 /* 5prime to 3 prime */ #define IS_3_TO_5 0x02 /* 3 prime to 5 prime */ #define IS_CIRCULAR 0x04 /* circular dna */ #define IS_PRIMARY 0x10 /* on the primary strand */ #define IS_SECONDARY 0x20 /* on the secondary strand */ #define IS_MODIFIED 0x40 /* modification flag */ #define IS_ORIG_PRIMARY 0x80 /* Original sequence was primary */ #define IS_ORIG_SECONDARY 0x100 /* Original sequence was secondary */ #define IS_ORIG_5_TO_3 0x200 /* Original sequence was 5_to_3 */ #define IS_ORIG_3_TO_5 0x400 /* Original sequence was 3_to_5 */ #ifdef HGL #define DEFAULT_X_ATTR 0 #else #define DEFAULT_X_ATTR IS_5_TO_3+IS_PRIMARY; #endif /* * Other display attributed */ #define INVERTED 1 #define VSCROLL_LOCK 2 #define KEYCLICKS 4 #define GDE_MESSAGE_PANEL 8 /* * Coloring Methods */ #define COLOR_MONO 0x40 /* no color, simple black and white */ #define COLOR_LOOKUP 0x41 /* Use a simple value->color lookup */ #define COLOR_ALN_MASK 0x42 /* The alignment has a column by column color mask associated with it */ #define COLOR_SEQ_MASK 0x43 /* Each sequence has a color mask*/ #define COLOR_STRAND 0x44 /* Color based on original strandedness*/ /* * Data types */ typedef struct { int *valu; } NumList; typedef struct { struct { int yy; int mm; int dd; int hr; int mn; int sc; } origin,modify; } TimeStamp; typedef unsigned char NA_Base; typedef struct { char *name; int type; NumList *list; int listlen; int maxlen; } GMask; typedef struct NA_SeqStruct { char id[80]; /* sequence id (ACCESSION)*/ char seq_name[80]; /* Sequence name (ORGANISM) */ char short_name[32]; /* Name (LOCUS) */ char barcode[80]; char contig[80]; char membrane[80]; char description[80]; /* Description (DEFINITION)*/ char authority[80]; /* Author (or creator) */ char *comments; /* Stuff we can't parse */ int comments_len, comments_maxlen; NA_Base *sequence; /* List of bases */ TimeStamp t_stamp; /* Time stamp of origin/modification */ GMask *mask; /* List of masks(analysis/display) */ int offset; /* offset into alignment (left white) space */ int seqlen; /* Number of elements in sequence[] */ int seqmaxlen; /* Size sequence[] (for mem alloc) */ unsigned int protect; /* Protection mask */ int attr; /* Extended attributes */ size_t groupid; /* group id */ int *col_lut; /* character to color LUT */ struct NA_SeqStruct *groupb; /* Group link backward */ struct NA_SeqStruct *groupf; /* Group link forward */ int *cmask; /* color mask */ int selected; /* Selection flag */ int subselected; /* Sub selection flag */ int format; /* default file format */ int elementtype; /* what type of data are being aligned*/ char *baggage; /* unformatted comments*/ int baggage_len, baggage_maxlen; int *tmatrix; /* translation matrix (code->char) */ int *rmatrix; /* reverse translation matrix (char->code)*/ GBDATA *gb_species; } NA_Sequence; typedef struct { char *id; /* Alignment ID */ char *description; /* Description of the alignment*/ char *authority; /* Who generated the alignment*/ int *cmask; /* color mask */ int cmask_offset; /* color mask offset */ int cmask_len; /* color mask length */ int ref; /* reference sequence */ size_t numelements; /* number of data elements */ int maxnumelements; /* maximum number of data elements */ int nummasks; /* number of masks */ int maxlen; /* Maximum length of alignment */ int rel_offset; /* add this to every sequence offset */ /* to orient it back to 0 */ GMask *mask; /* masks */ NA_Sequence *element; /* alignment elements */ size_t numgroups; /* number of groups */ NA_Sequence **group; /* link to array of pointers into each group */ char *na_ddata; /* display data */ int format; /* default file format */ char *selection_mask; /* Sub sequence selection mask */ int selection_mask_len; /* Sub selection mask length */ int min_subselect; /* Leftmost coord of selection mask */ GBDATA *gb_main; char *alignment_name; } NA_Alignment; extern NA_Alignment *DataSet; #define getcmask(a,b) (b < ((a)->offset))?0:((a)->cmask[(b-(a)->offset)]) ./arbsrc_9167/ARB_GDE/GDE_event.cxx0000644012664100000130000005350411440743001016547 0ustar arb_buildcoders#include #include #include #include #include #include #include #include //#include //#include #include #include // #include #include #include #include #include #include #include #include #include "GDE_menu.h" #include "GDE_def.h" #include "GDE_extglob.h" #include "GDE_awars.h" #include #include using namespace std; #define DEFAULT_COLOR 8 extern adfiltercbstruct *agde_filtercd; /* ReplaceArgs(): Replace all command line arguements with the appropriate values stored for the chosen menu item. Copyright (c) 1989-1990, University of Illinois board of trustees. All rights reserved. Written by Steven Smith at the Center for Prokaryote Genome Analysis. Design and implementation guidance by Dr. Gary Olsen and Dr. Carl Woese. Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. All rights reserved. */ static char *ReplaceArgs(AW_root *awr,char *Action,GmenuItem *gmenuitem,int number) { /* * The basic idea is to replace all of the symbols in the method * string with the values picked in the dialog box. The method * is the general command line structure. All arguements have three * parts, a label, a method, and a value. The method never changes, and * is used to represent '-flag's for a given function. Values are the * associated arguements that some flags require. All symbols that * require argvalue replacement should have a '$' infront of the symbol * name in the itemmethod definition. All symbols without the '$' will * be replaced by their argmethod. There is currently no way to do a label * replacement, as the label is considered to be for use in the dialog * box only. An example command line replacement would be: * * itemmethod=> "lpr arg1 $arg1 $arg2" * * arglabel arg1=> "To printer?" * argmethod arg1=> "-P" * argvalue arg1=> "lw" * * arglabel arg2=> "File name?" * argvalue arg2=> "foobar" * argmethod arg2=> "" * * final command line: * * lpr -P lw foobar * * At this point, the chooser dialog type only supports the arglabel and * argmethod field. So if an argument is of type chooser, and * its symbol is "this", then "$this" has no real meaning in the * itemmethod definition. Its format in the .GDEmenu file is slighty * different as well. A choice from a chooser field looks like: * * argchoice:Argument_label:Argument_method * * */ const char *symbol=0; char *method=0; char *textvalue=0; char *temp; int i,newlen,type; symbol = gmenuitem->arg[number].symbol; //method = gmenuitem->arg[number]->method; //textvalue = gmenuitem->arg[number]->textvalue; type = gmenuitem->arg[number].type; if( (type == SLIDER) ) { char *awarname = GDE_makeawarname(gmenuitem,number); textvalue = (char*)malloc(GBUFSIZ); char *awalue = awr->awar(awarname)->read_as_string(); sprintf(textvalue,"%s",awalue); free(awalue); } else if((type == CHOOSER) || (type == CHOICE_TREE) || (type == CHOICE_SAI) || (type == CHOICE_MENU) || (type == CHOICE_LIST) || (type == CHOICE_WEIGHTS) || (type == TEXTFIELD)) { char *awarname=GDE_makeawarname(gmenuitem,number); method=awr->awar(awarname)->read_string(); textvalue=awr->awar(awarname)->read_string(); } if(textvalue == NULL) textvalue=(char *)calloc(1,sizeof(char)); if(method == NULL) method=(char *)calloc(1,sizeof(char)); if(symbol == NULL) symbol=""; setwarned_about; int conversion_warning = 0; int j = 0; for(; (i=Find2(Action+j,symbol)) != -1;) { i += j; ++j; if(i>0 && Action[i-1] == '$' ) { newlen = strlen(Action)-strlen(symbol) +strlen(textvalue); temp = (char *)calloc(newlen,1); if (temp == NULL) Error("ReplaceArgs():Error in calloc"); strncat(temp,Action,i-1); strncat(temp,textvalue,strlen(textvalue)); strcat( temp,&(Action[i+strlen(symbol)]) ); freeset(Action, temp); } else { if (warned_about.find(symbol) == warned_about.end()) { fprintf(stderr, "old arb version converted '%s' to '%s' (now only '$%s' is converted)\n", symbol, textvalue, symbol); conversion_warning++; warned_about.insert(symbol); } } } if (conversion_warning) { fprintf(stderr, "Conversion warnings occurred in Action:\n'%s'\n", Action); } free(textvalue); free(method); return(Action); } static long LMAX(long a,long b) { if(a>b) return a; return b; } static void GDE_free(void **p) { freeset(*p, NULL); } static char *ReplaceFile(char *Action,GfileFormat file) { char *symbol,*method,*temp; int i,newlen; symbol = file.symbol; method = file.name; for(; (i=Find2(Action,symbol)) != -1;) { newlen = strlen(Action)-strlen(symbol) + strlen(method)+1; temp = (char *)calloc(newlen,1); if (temp == NULL) Error("ReplaceFile():Error in calloc"); strncat(temp,Action,i); strncat(temp,method,strlen(method)); strcat( temp,&(Action[i+strlen(symbol)]) ); freeset(Action, temp); } return(Action); } static char *ReplaceString(char *Action,const char *old,const char *news) { const char *symbol; const char *method; char *temp; int i,newlen; symbol = old; method = news; for(; (i=Find2(Action,symbol)) != -1;) { newlen = strlen(Action)-strlen(symbol) + strlen(method)+1; temp = (char *)calloc(newlen,1); if (temp == NULL) Error("ReplaceFile():Error in calloc"); strncat(temp,Action,i); strncat(temp,method,strlen(method)); strcat( temp,&(Action[i+strlen(symbol)]) ); freeset(Action, temp); } return(Action); } static void GDE_freesequ(NA_Sequence *sequ) { if (sequ) { GDE_free((void**)&sequ->comments); GDE_free((void**)&sequ->cmask); GDE_free((void**)&sequ->baggage); GDE_free((void**)&sequ->sequence); } } static void GDE_freeali(NA_Alignment *dataset) { if (dataset) { GDE_free((void**)&dataset->id); GDE_free((void**)&dataset->description); GDE_free((void**)&dataset->authority); GDE_free((void**)&dataset->cmask); GDE_free((void**)&dataset->selection_mask); GDE_free((void**)&dataset->alignment_name); for (unsigned long i=0;inumelements;i++) { GDE_freesequ(dataset->element+i); } } } static void GDE_export(NA_Alignment *dataset, char *align, long oldnumelements) { GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); long maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main, align); long isdefaultalign = 0; if (maxalignlen <= 0 && !error) { align = GBT_get_default_alignment(GLOBAL_gb_main); if (!align) error = GB_await_error(); else { isdefaultalign = 1; maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main, align); } } long lotyp = 0; if (!error) { GB_alignment_type at = GBT_get_alignment_type(GLOBAL_gb_main, align); switch (at) { case GB_AT_DNA: lotyp = DNA; break; case GB_AT_RNA: lotyp = RNA; break; case GB_AT_AA: lotyp = PROTEIN; break; case GB_AT_UNKNOWN: lotyp = DNA; break; } } unsigned long i; int load_all = 0; for (i = oldnumelements; !error && i < dataset->numelements; i++) { NA_Sequence *sequ = dataset->element+i; int seqtyp, issame = 0; seqtyp = sequ->elementtype; if ((seqtyp == lotyp) || ((seqtyp == DNA) && (lotyp == RNA)) || ((seqtyp == RNA) && (lotyp == DNA))) { issame = 1; } else { aw_message(GBS_global_string("Warning: sequence type of species '%s' changed", sequ->short_name)); } if (sequ->tmatrix) { for (long j = 0; j < sequ->seqlen; j++) { sequ->sequence[j] = (char)sequ->tmatrix[sequ->sequence[j]]; } } char *savename = GBS_string_2_key(sequ->short_name); sequ->gb_species = 0; if (!issame) { /* save as extended */ GBDATA *gb_extended = GBT_find_or_create_SAI(GLOBAL_gb_main, savename); if (!gb_extended) error = GB_await_error(); else { sequ->gb_species = gb_extended; GBDATA *gb_data = GBT_add_data(gb_extended, align, "data", GB_STRING); if (!gb_data) error = GB_await_error(); else error = GBT_write_sequence(gb_data, align, maxalignlen, (char *)sequ->sequence); } } else { /* save as sequence */ GBDATA *gb_species_data = GB_search(GLOBAL_gb_main, "species_data", GB_CREATE_CONTAINER); if (!gb_species_data) error = GB_await_error(); else { GBDATA *gb_species = GBT_find_species_rel_species_data(gb_species_data, savename); GB_push_my_security(GLOBAL_gb_main); if (gb_species) { /* new element that already exists !!!! */ int select_mode; const char *msg = GBS_global_string("You are (re-)importing a species '%s'.\n" "That species already exists in your database!\n" "\n" "Possible actions:\n" "\n" " - delete and overwrite the existing species\n" " - skip - don't change the species\n" " - reimport only the sequence of the existing species\n" " - reimport all sequences (don't ask again)\n" "\n" "Note: After aligning it's recommended to choose 'reimport all'.", savename); if (!load_all) { select_mode = aw_question(msg, "delete existing," // 0 "skip," // 1 "reimport sequence," // 2 "reimport all" // 3 ); if (select_mode == 3) { // load all sequences load_all = 1; } } if (load_all) select_mode = 2; // reimport sequence gde_assert(select_mode >= 0 && select_mode <= 2); switch (select_mode) { case 1: // skip gb_species = 0; break; // continue with next species case 0: // delete existing species GB_delete(gb_species); // fall-through! case 2: // reimport sequence gb_species = GBT_find_or_create_species_rel_species_data(gb_species_data, savename); break; } } else { gb_species = GBT_find_or_create_species_rel_species_data(gb_species_data, savename); } if (gb_species) { sequ->gb_species = gb_species; GBDATA *gb_data = GBT_add_data(gb_species, align, "data", GB_STRING); // does only add if not already existing if (!gb_data) error = GB_await_error(); else { GBDATA *gb_old_data = GBT_read_sequence(gb_species, align); if (gb_old_data) { // we already have data -> compare checksums const char *old_seq = GB_read_char_pntr(gb_old_data); long old_checksum = GBS_checksum(old_seq, 1, "-."); long new_checksum = GBS_checksum((char *)sequ->sequence, 1, "-."); if (old_checksum != new_checksum) { aw_message(GBS_global_string("Warning: Sequence checksum for '%s' differs", savename)); } } error = GBT_write_sequence(gb_data, align, maxalignlen, (char *)sequ->sequence); } } GB_pop_my_security(GLOBAL_gb_main); } } free(savename); } /* colormasks */ for (i = 0; !error && i < dataset->numelements; i++) { NA_Sequence *sequ = &(dataset->element[i]); if (sequ->cmask) { maxalignlen = LMAX(maxalignlen, sequ->seqlen); char *resstring = (char *)calloc((unsigned int)maxalignlen + 1, sizeof(char)); char *dummy = resstring; for (long j = 0; j < maxalignlen - sequ->seqlen; j++) *resstring++ = DEFAULT_COLOR; for (long k = 0; k < sequ->seqlen; k++) *resstring++ = (char)sequ->cmask[i]; *resstring = '\0'; GBDATA *gb_ali = GB_search(sequ->gb_species, align, GB_CREATE_CONTAINER); if (!gb_ali) error = GB_await_error(); else { GBDATA *gb_color = GB_search(gb_ali, "colmask", GB_BYTES); if (!gb_color) error = GB_await_error(); else error = GB_write_bytes(gb_color, dummy, maxalignlen); } free(dummy); } } if (!error && dataset->cmask) { maxalignlen = LMAX(maxalignlen, dataset->cmask_len); char *resstring = (char *)calloc((unsigned int)maxalignlen + 1, sizeof(char)); char *dummy = resstring; long k; for (k = 0; k < maxalignlen - dataset->cmask_len; k++) *resstring++ = DEFAULT_COLOR; for (k = 0; k < dataset->cmask_len; k++) *resstring++ = (char)dataset->cmask[k]; *resstring = '\0'; GBDATA *gb_extended = GBT_find_or_create_SAI(GLOBAL_gb_main, "COLMASK"); if (!gb_extended) error = GB_await_error(); else { GBDATA *gb_color = GBT_add_data(gb_extended, align, "colmask", GB_BYTES); if (!gb_color) error = GB_await_error(); else error = GB_write_bytes(gb_color, dummy, maxalignlen); } free(dummy); } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); if (isdefaultalign) free(align); } static char *preCreateTempfile(const char *name) { // creates a tempfile and returns heapcopy of fullpath // exits in case of error char *fullname = GB_create_tempfile(name); if (!fullname) Error(GBS_global_string("preCreateTempfile: %s", GB_await_error())); // exits return fullname; } void GDE_startaction_cb(AW_window *aw,GmenuItem *gmenuitem,AW_CL cd) { long oldnumelements=0; AWUSE(cd); AW_root *aw_root=aw->get_root(); GapCompression compress = static_cast(aw_root->awar(AWAR_GDE_COMPRESSION)->read_int()); AP_filter *filter2 = awt_get_filter(aw_root,agde_filtercd); char *filter_name = 0; /* aw_root->awar(AWAR_GDE_FILTER_NAME)->read_string() */ char *alignment_name = strdup("ali_unknown"); bool marked = (aw_root->awar(AWAR_GDE_SPECIES)->read_int() != 0); long cutoff_stop_codon = aw_root->awar(AWAR_GDE_CUTOFF_STOPCODON)->read_int(); GmenuItem *current_item; current_item=gmenuitem; aw_openstatus(current_item->label); aw_status((double)0); int j; bool flag; char *Action,buffer[GBUFSIZ]; static int fileindx = 0; int select_mode = 0; int stop = 0; if (current_item->numinputs>0) { DataSet->gb_main = GLOBAL_gb_main; GB_begin_transaction(DataSet->gb_main); freeset(DataSet->alignment_name, GBT_get_default_alignment(DataSet->gb_main)); freedup(alignment_name, DataSet->alignment_name); aw_status("reading database"); if (gde_cgss.get_sequences) { stop = ReadArbdb2(DataSet, filter2, compress, cutoff_stop_codon); } else { stop = ReadArbdb(DataSet, marked, filter2, compress, cutoff_stop_codon); } GB_commit_transaction(DataSet->gb_main); if (!stop && DataSet->numelements==0) { aw_message("no sequences selected"); stop = 1; } } if (!stop) { flag = false; for(j=0;jnuminputs;j++) { if(current_item->input[j].format != STATUS_FILE) { flag = true; } } if(flag && DataSet) select_mode = ALL; // TestSelection(); int pid = getpid(); for(j=0;jnuminputs;j++) { GfileFormat& gfile = current_item->input[j]; sprintf(buffer,"gde%d_%d", pid, fileindx++); gfile.name = preCreateTempfile(buffer); switch(gfile.format) { case COLORMASK: WriteCMask (DataSet, gfile.name, select_mode, gfile.maskable); break; case GENBANK: WriteGen (DataSet, gfile.name, select_mode, gfile.maskable); break; case NA_FLAT: WriteNA_Flat(DataSet, gfile.name, select_mode, gfile.maskable); break; case STATUS_FILE: WriteStatus (DataSet, gfile.name, select_mode) ; break; case GDE: WriteGDE (DataSet, gfile.name, select_mode, gfile.maskable); break; default: break; } } for(j=0;jnumoutputs;j++) { sprintf(buffer,"gde%d_%d", pid, fileindx++); current_item->output[j].name = preCreateTempfile(buffer); } /* * Create the command line for external the function call */ Action = (char*)strdup(current_item->method); if(Action == NULL) Error("DO(): Error in duplicating method string"); while (1) { char *oldAction = strdup(Action); for(j=0;jnumargs;j++) Action = ReplaceArgs(aw_root,Action,gmenuitem,j); bool changed = strcmp(oldAction, Action) != 0; free(oldAction); if (!changed) break; } for(j=0;jnuminputs;j++) Action = ReplaceFile(Action,current_item->input[j]); for(j=0;jnumoutputs;j++) Action = ReplaceFile(Action,current_item->output[j]); filter_name = AWT_get_combined_filter_name(aw_root, "gde"); Action = ReplaceString(Action,"$FILTER",filter_name); /* * call and go... */ aw_status("calling external program"); printf("Action: %s\n",Action); system(Action); free(Action); oldnumelements=DataSet->numelements; BlockInput = false; for(j=0;jnumoutputs;j++) { if(current_item->output[j].overwrite) { if(current_item->output[j].format == GDE) OVERWRITE = true; else Warning("Overwrite mode only available for GDE format"); } switch(current_item->output[j].format) { /* * The LoadData routine must be reworked so that * OpenFileName uses it, and so I can remove the * major kluge in OpenFileName(). */ case GENBANK: case NA_FLAT: case GDE: /*ARB-change:*/ /*OpenFileName(current_item->output[j].name,NULL);*/ LoadData(current_item->output[j].name); break; case COLORMASK: ReadCMask(current_item->output[j].name); break; case STATUS_FILE: ReadStatus(current_item->output[j].name); break; default: break; } OVERWRITE = false; } for(j=0;jnumoutputs;j++) { if(!current_item->output[j].save) { unlink(current_item->output[j].name); } } for(j=0;jnuminputs;j++) { if(!current_item->input[j].save) { unlink(current_item->input[j].name); } } aw_closestatus(); GDE_export(DataSet,alignment_name,oldnumelements); } else { aw_closestatus(); } free(alignment_name); delete filter2; free(filter_name); GDE_freeali(DataSet); freeset(DataSet, (NA_Alignment *)Calloc(1,sizeof(NA_Alignment))); DataSet->rel_offset = 0; } ./arbsrc_9167/ARB_GDE/GDE_extglob.h0000644012664100000130000000430011440743001016505 0ustar arb_buildcoders// ================================================================ // // // // File : GDE_extglob.h // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef GDE_EXTGLOB_H #define GDE_EXTGLOB_H enum GapCompression { COMPRESS_NONE = 0, COMPRESS_VERTICAL_GAPS = 1, COMPRESS_ALL = 2, COMPRESS_NONINFO_COLUMNS = 3, }; #define GDEMAXMENU 100 class AP_filter; #ifndef GDE_PROTO_H #include "GDE_proto.h" #endif extern Gmenu menu[GDEMAXMENU]; extern int num_menus; extern GBDATA *GLOBAL_gb_main; /* global.h */ extern int DataType; extern int FileFormat,first_select; /*int Dirty,OldEditMode,EditMode = INSERT, EditDir = RIGHT;*/ extern int DisplayAttr,OVERWRITE; extern int SCALE; extern int BlockInput; #ifdef SeeAlloc int TotalCalloc = 0; int TotalRealloc = 0; #endif extern char FileName[80]; extern char current_dir[1024]; /* * Months of the year */ extern const char *GDEmonth[12]; /* * Tables for DNA/RNA <--> ASCII translation */ extern int Default_RNA_Trans[]; extern int Default_DNA_Trans[]; extern int Default_NA_RTrans[]; /* * RGB values for the simple palette */ /* * Character->color lookup table */ extern int Default_NAColor_LKUP[]; extern int Default_PROColor_LKUP[]; extern const char *vert_mito[512]; extern const char *mycoplasma[512]; extern const char *universal[512]; extern const char *yeast[512]; extern const char *three_to_one[23]; #if 0 extern unsigned char grey0; extern unsigned char grey1; extern unsigned char grey2; extern unsigned char grey3; extern unsigned char grey4; extern unsigned char grey5; extern unsigned char grey6; extern unsigned char grey7; extern unsigned char **greys; extern char **grey_pm; /*Pixmap instead of char !?!*/ #endif #else #error GDE_extglob.h included twice #endif // GDE_EXTGLOB_H ./arbsrc_9167/ARB_GDE/GDE_FileIO.cxx0000644012664100000130000007316311440743001016540 0ustar arb_buildcoders#include #include // #include #include #include #include #include #include #include #include #include "gde.hxx" #include "GDE_def.h" #include "GDE_menu.h" #include "GDE_extglob.h" int MAX(int a,int b) { if(a>b) return a; return b; } int MIN(int a,int b) { if(anumelements;j++) { alignment->element[j].groupf = NULL; alignment->element[j].groupb = NULL; } for (group = 1;group <= alignment->numgroups;group++) { last = -1; for(j=0;jnumelements;j++) if(alignment->element[j].groupid == group) { if(last != -1) { alignment->element[j].groupb = &(alignment->element[last]); alignment->element[last].groupf = &(alignment->element[j]); } last = j; } } return; } /* * Print error message, and die */ void ErrorOut5(int code,const char *string) { if (code == 0) { fprintf(stderr,"Error:%s\n",string); exit(1); } return; } /* * More robust memory management routines */ char *Calloc(int count,int size) { char *temp; size *= count; #ifdef SeeAlloc extern int TotalCalloc; TotalCalloc += count*size; fprintf(stderr,"Calloc %d %d\n",count*size,TotalCalloc); #endif temp = (char *)malloc(size); ErrorOut5(0!= temp,"Cannot allocate memory"); memset(temp,0,size); return(temp); } char *Realloc(char *block,int size) { char *temp; #ifdef SeeAlloc extern int TotalRealloc; TotalRealloc += size; fprintf(stderr,"Realloc %d\n",TotalRealloc); #endif temp = (char *)realloc(block,size); ErrorOut5(0 != temp,"Cannot change memory size"); return(temp); } void Cfree(char *block) { if (block) { /*if(cfree(block) == 0) Warning("Error in Cfree...");*/ free(block); } else Warning("Error in Cfree, NULL block"); return; } static void ReadNA_Flat(char *filename,char *dataset,int type) { size_t j; int i, jj, c, curelem=0,offset; char buffer[GBUFSIZ]; char in_line[GBUFSIZ]; char curname[GBUFSIZ]; i=0;c=0;type=0; NA_Sequence *this_elem; NA_Alignment *data; FILE *file; curname[0] = '\0'; data = (NA_Alignment*)dataset; file = fopen(filename,"r"); if(file == NULL) { fprintf(stderr,"Cannot open %s.\n",filename); return; } for(;fgets(in_line,GBUFSIZ,file) !=0;) { if (in_line[0] == '#' || in_line[0] == '%' || in_line[0] == '"' || in_line[0] == '@') { offset = 0; for(j=0;jnumelements++; if( curelem == 0 ) { data->element=(NA_Sequence*) Calloc(5,sizeof(NA_Sequence)); data->maxnumelements = 5; } else if (curelem==data->maxnumelements) { (data->maxnumelements) *= 2; data->element= (NA_Sequence*)Realloc((char*)data->element ,data->maxnumelements*sizeof(NA_Sequence)); } InitNASeq(&(data->element[curelem]), in_line[0] == '#'?DNA: in_line[0] == '%'?PROTEIN: in_line[0] == '"'?TEXT: in_line[0] == '@'?MASK:TEXT); this_elem= &(data->element[curelem]); if(in_line[strlen(in_line)-1] == '\n') in_line[strlen(in_line)-1] = '\0'; strncpy(this_elem->short_name,(char*)&(in_line[1]),31); this_elem->offset = offset; } else if(in_line[0] != '\n') { size_t strl = strlen(in_line); for(j=0,jj=0;jelement[curelem].rmatrix) Ascii2NA(buffer,jj,data->element[curelem].rmatrix); AppendNA((NA_Base*)buffer,jj,&(data->element[curelem])); } } for(j=0;jnumelements;j++) data->maxlen = MAX(data->maxlen,data->element[j].seqlen + data->element[j].offset); for(j=0;jnumelements;j++) if(data->element[j].seqlen==0) data->element[j].protect = PROT_BASE_CHANGES+ PROT_GREY_SPACE+ PROT_WHITE_SPACE+ PROT_TRANSLATION; NormalizeOffset(data); Regroup(data); return; } /* LoadFile(): Load the given filename into the given dataset. Handle any type conversion needed to get the data into the specified data type. This routine is used in situations where the format and datatype is known. Copyright (c) 1989-1990, University of Illinois board of trustees. All rights reserved. Written by Steven Smith at the Center for Prokaryote Genome Analysis. Design and implementation guidance by Dr. Gary Olsen and Dr. Carl Woese. Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. All rights reserved. */ static void LoadFile(char *filename,NA_Alignment *dataset,int type,int format) { if (DataType != type) fprintf(stderr,"Warning, datatypes do not match.\n"); /* Handle the overwrite/create/merge dialog here. */ switch(format) { case NA_FLAT: ReadNA_Flat(filename,(char*)dataset,type); ((NA_Alignment*)dataset)->format = GDE; break; case GENBANK: ReadGen(filename,dataset,type); ((NA_Alignment*)dataset)->format = GENBANK; break; case ARBDB: ReadArbdb_plain(filename,dataset,type); ((NA_Alignment*)dataset)->format = ARBDB; break; case GDE: ReadGDE(filename,dataset,type); ((NA_Alignment*)dataset)->format = GDE; break; case COLORMASK: ReadCMask(filename); default: break; } return; } static int FindType(char *name,int *dtype,int *ftype) { FILE *file; char in_line[GBUFSIZ]; file = fopen(name,"r"); *dtype=0; *ftype=0; if (file == NULL) return(1); /* * Is this a flat file? * Get the first non blank line, see if a type marker shows up. */ if (fgets(in_line,GBUFSIZ,file) == 0) { return 1; } for(;strlen(in_line)<2 && fgets(in_line,GBUFSIZ,file) != NULL;) ; if (in_line[0] == '#' || in_line[0] == '%' || in_line[0] == '"' || in_line[0] == '@' ) { *dtype=NASEQ_ALIGN; *ftype=NA_FLAT; } /* * Else, try genbank */ else { fclose(file); file = fopen(name,"r"); *dtype=0; *ftype=0; if (file == NULL) return(1); for(;fgets(in_line,GBUFSIZ,file) != NULL;) if(Find(in_line,"LOCUS")) { *dtype=NASEQ_ALIGN; *ftype=GENBANK; fclose(file); return(0); } /* * and last, try GDE */ else if(Find(in_line,"sequence")) { *dtype = NASEQ_ALIGN; *ftype = GDE; fclose(file); return(0); } else if(Find(in_line,"start:")) { *dtype = NASEQ_ALIGN; *ftype = COLORMASK; fclose(file); return(0); } } fclose(file); return(0); } /* LoadData(): Load a data set from the command line argument. Copyright (c) 1989, University of Illinois board of trustees. All rights reserved. Written by Steven Smith at the Center for Prokaryote Genome Analysis. Design and implementation guidance by Dr. Gary Olsen and Dr. Carl Woese. Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. All rights reserved. */ void LoadData(char *filen) { FILE *file; NA_Alignment *DataNaAln; char temp[1024]; /* * Get file name, determine the file type, and away we go.. */ if(Find2(filen,"gde")!=0) strcpy(FileName,filen); if (strstr(filen,".arb") || strchr(filen, ':')) { /* ARBDB TYPE */ if (DataSet == NULL) { DataSet = (NA_Alignment *) Calloc(1, sizeof(NA_Alignment)); DataNaAln = (NA_Alignment *) DataSet; DataSet->rel_offset = 0; } else{ DataNaAln = (NA_Alignment *) DataSet; } DataType = NASEQ_ALIGN; FileFormat = ARBDB; LoadFile(filen, DataNaAln, DataType, FileFormat); sprintf(temp,"Remote ARBDB access (%s)",filen); return; } if( (file=fopen(filen,"r"))!=0 ) { FindType(filen,&DataType,&FileFormat); switch(DataType) { case NASEQ_ALIGN: if(DataSet == NULL) { DataSet = (NA_Alignment*)Calloc(1, sizeof(NA_Alignment)); DataNaAln =(NA_Alignment*)DataSet; DataSet->rel_offset = 0; }else{ DataNaAln = (NA_Alignment*)DataSet; } LoadFile(filen,DataNaAln, DataType,FileFormat); break; default: aw_message(GBS_global_string("Internal error: unknown file type of file %s",filen)); break; } fclose(file); } sprintf(temp,"Genetic Data Environment 2.2 (%s)",FileName); return; } void AppendNA(NA_Base *buffer,int len,NA_Sequence *seq) { int curlen=0,j; NA_Base *temp; temp=0; if(seq->seqlen+len >= seq->seqmaxlen) { if(seq->seqlen>0) seq->sequence = (NA_Base*)Realloc((char*)seq->sequence, (seq->seqlen + len+GBUFSIZ) * sizeof(NA_Base)); else seq->sequence = (NA_Base*)Calloc(1,(seq->seqlen + len+GBUFSIZ) * sizeof(NA_Base)); seq->seqmaxlen = seq->seqlen + len+GBUFSIZ; } /* * seqlen is the length, and the index of the next free * base */ curlen = seq->seqlen + seq->offset; for(j=0;jseqlen += len; return; } void Ascii2NA(char *buffer,int len,int matrix[16]) { /* * if the translation matrix exists, use it to * encode the buffer. */ int i; if(matrix != NULL) { for(i=0;inumelements == 0) return(1); seqs = aln->element; file = fopen(filename,"w"); if(file == NULL) { Warning("Cannot open file for output"); return(1); } if(maskable && (method != SELECT_REGION)) { for(j=0;jnumelements;j++) if(seqs[j].elementtype == MASK && seqs[j].selected) mask = j; } /* Removed by OLIVER for(j=0;jnumelements;j++) { SeqNorm(&(seqs[j])); } */ for(j=0;jnumelements;j++) { if (method != SELECT_REGION) { offset = seqs[j].offset; } else { for(offset=seqs[j].offset; aln->selection_mask[offset] == '0'; offset++) ; } if(offset+aln->rel_offset != 0) sprintf(offset_str,"(%d)",offset+aln->rel_offset); else offset_str[0] = '\0'; if((((int)j!=mask) && (seqs[j].selected) && method != SELECT_REGION) || (method == SELECT_REGION && seqs[j].subselected) || method == ALL) { fprintf(file,"%c%s%s\n", seqs[j].elementtype == DNA?'#': seqs[j].elementtype == RNA?'#': seqs[j].elementtype == PROTEIN?'%': seqs[j].elementtype == TEXT?'"': seqs[j].elementtype == MASK?'@':'"', seqs[j].short_name, (offset+aln->rel_offset == 0)? "":offset_str); if(seqs[j].tmatrix) { if(mask == -1) for(k=0,kk=0;kk0) { buf[60] = '\0'; fputs(buf,file); putc('\n',file); } if(method == SELECT_REGION) { if(aln->selection_mask[kk+offset]=='1') { buf[k%60] =((char)seqs[j].tmatrix[ (int)getelem( &(seqs[j]),kk+offset) ]); k++; } } else { buf[k%60] =((char)seqs[j].tmatrix[ (int)getelem( &(seqs[j]),kk+offset) ]); k++; } } else for(k=0,kk=0;kk1) { buf[60] = '\0'; fputs(buf,file); putc('\n',file); } buf[k%60] = ((char)seqs[j].tmatrix [getelem(&(seqs[j]),kk+offset)]); } } } else { if(mask == -1) for(k=0,kk=0;kk0) { buf[60] = '\0'; fputs(buf,file); putc('\n',file); } if(method == SELECT_REGION) { if(aln->selection_mask[kk+offset]=='1') { buf[k%60] =(getelem( &(seqs[j]),kk+offset)); k++; } } else { buf[k%60] =( getelem( &(seqs[j]),kk+offset) ); k++; } } else for(k=0,kk=0;kk1) { buf[60] = '\0'; fputs(buf,file); putc('\n',file); } buf[k%60] =((char)getelem(&(seqs[j]), kk+offset)); } } } buf[(k%60)>0 ? (k%60):60] = '\0'; fputs(buf,file); putc('\n',file); } } fclose(file); return(0); } void Warning(const char *s) { /*extern Frame frame; extern Panel_item left_foot,right_foot; Beep(); xv_set(frame,FRAME_RIGHT_FOOTER,s,0); xv_set(right_foot,PANEL_LABEL_STRING,s,0);*/ aw_message(s); } void InitNASeq(NA_Sequence *seq,int type) { SetTime(&(seq->t_stamp.origin)); SetTime(&(seq->t_stamp.modify)); strncpy(seq->id,uniqueID(),79); seq->seq_name[0] = '\0'; seq->barcode[0] = '\0'; seq->contig[0] = '\0'; seq->membrane[0] = '\0'; seq->authority[0] = '\0'; seq->short_name[0] = '\0'; seq->sequence = NULL; seq->offset = 0; seq->baggage = NULL; seq->baggage_len = 0; seq->baggage_maxlen = 0; seq->comments = NULL; seq->comments_len = 0; seq->comments_maxlen = 0; seq->description[0] = '\0'; seq->mask = NULL; seq->seqlen = 0; seq->seqmaxlen = 0; seq->protect = PROT_WHITE_SPACE + PROT_TRANSLATION; #ifdef HGL seq->attr = 0; #else seq->attr = IS_5_TO_3 + IS_PRIMARY; #endif seq->elementtype = type; seq->groupid = 0; seq->groupb = NULL; seq->groupf = NULL; seq->cmask = NULL; seq->selected = 0; seq->subselected = 0; switch (type) { case DNA: seq->tmatrix = Default_DNA_Trans; seq->rmatrix = Default_NA_RTrans; seq->col_lut = Default_NAColor_LKUP; break; case RNA: seq->tmatrix = Default_RNA_Trans; seq->rmatrix = Default_NA_RTrans; seq->col_lut = Default_NAColor_LKUP; break; case PROTEIN: seq->tmatrix = NULL; seq->rmatrix = NULL; seq->col_lut = Default_PROColor_LKUP; break; case MASK: case TEXT: default: seq->tmatrix = NULL; seq->rmatrix = NULL; seq->col_lut = NULL; break; } return; } void ReadCMask(const char *filename) { char in_line[GBUFSIZ]; char head[GBUFSIZ]; char curname[GBUFSIZ]; char temp[GBUFSIZ]; bool IGNORE_DASH = false; int offset; /*NA_DisplayData *NAdd;*/ NA_Alignment *aln; size_t j; size_t curlen = 0; int *colors = 0,orig_ctype,jj,indx = 0; FILE *file; if(DataSet == NULL) return; /*NAdd = (NA_DisplayData*)((NA_Alignment*)DataSet)->na_ddata; if(NAdd == NULL) return; */ aln = (NA_Alignment*)DataSet; curname[0] = '\0'; orig_ctype = COLOR_MONO; file = fopen(filename,"r"); if(file == NULL) { Warning("File not found"); Warning(filename); return; } /*NAdd->color_type = COLOR_ALN_MASK;*/ for(;fgets(in_line,GBUFSIZ,file) !=0;) { if(Find(in_line,"offset:")) { crop(in_line,head,temp); sscanf(temp,"%d",&(aln->cmask_offset)); } else if(Find(in_line,"nodash:")) IGNORE_DASH = true; else if(Find(in_line,"dash:")) IGNORE_DASH = true; else if(Find(in_line,"name:")) { crop(in_line,head,curname); curname[strlen(curname)-1] = '\0'; for(j=0;jcolor_type = orig_ctype;*/ return; } if(strlen(curname) != 0) { indx = -1; for(j=0;jnumelements;j++) if(Find(aln->element[j].short_name,curname) || Find(aln->element[j].id,curname)) { if(aln->element[j].cmask != NULL) Cfree((char*)aln -> element[j].cmask); colors=(int*)Calloc(aln->element[j] .seqmaxlen+1+aln->element[j].offset ,sizeof(int)); aln->element[j].cmask = colors; /*NAdd->color_type = COLOR_SEQ_MASK;*/ indx = j; j = aln->numelements; } if(indx == -1) colors=NULL; } else { if(aln->cmask != NULL) Cfree((char*)aln->cmask); colors=(int*)Calloc(curlen,sizeof(int)); aln->cmask = colors; aln->cmask_len = curlen; /*NAdd->color_type = COLOR_ALN_MASK;*/ for(j=0;jelement[indx].seqlen);j++,jj++) { offset = aln->element[indx].offset; if(fgets(in_line,GBUFSIZ,file)==NULL) { Warning ("illegal format in colormask"); /*NAdd->color_type = orig_ctype;*/ return; } /* * Fixed so that the keyword nodash causes the colormask to be mapped * to the sequence, not the alignment. * * The allocated space is equal the seqlen of the matched sequence. * */ if(aln->element[indx].tmatrix) for(;(getelem(&(aln->element[indx]),jj +offset) ==(aln->element[indx].tmatrix['-']) || (getelem(&(aln->element[indx]),jj +offset) ==aln->element[indx].tmatrix['~'])) && jj < aln->element[indx].seqlen;) colors[jj++] = 12; else for(;getelem(&(aln->element[indx]),jj +offset) =='-' && jj < aln->element[indx].seqlen;) colors[jj++] = 12; sscanf(in_line,"%d",&(colors[jj])); } } else if((indx == -1) && (strlen(curname) != 0)) for(j=0;jcolor_type = orig_ctype;*/ return; } sscanf(in_line,"%d",&(colors[j])); } IGNORE_DASH = false; curname[0] = '\0'; } } /*RepaintAll(true);*/ return; } int WriteStatus(NA_Alignment *aln,char *filename,int method) { // extern int EditMode; // NA_DisplayData *NAdd; NA_Sequence *this_seq; int j; FILE *file; method=0;filename=0; if(DataSet == NULL) return(1); /* NAdd = (NA_DisplayData*)((NA_Alignment*)DataSet)->na_ddata; if(NAdd == NULL) return(1); */ file = fopen(filename,"w"); if (file == NULL) { Warning("Cannot open status file."); return(1); } fprintf(file,"File_format: %s\n",FileFormat==GENBANK?"genbank":"flat"); /* fprintf(file,"EditMode: %s\n",EditMode==INSERT?"insert": "check"); */ this_seq = &(aln->element[1]); /* Nadd->cursor !? */ if(this_seq->id != NULL) fprintf(file,"sequence-ID %s\n",this_seq->id); fprintf(file,"Column: %d\nPos:%d\n",1,1);/*NAdd->cursor_x,NAdd->position*/ switch(this_seq->elementtype) { case DNA: case RNA: fprintf(file,"#%s\n", this_seq->short_name); break; case PROTEIN: fprintf(file,"%%%s\n", this_seq->short_name); break; case MASK: fprintf(file,"@%s\n", this_seq->short_name); break; case TEXT: fprintf(file,"%c%s\n",'"', this_seq->short_name); break; default: break; } if(this_seq->tmatrix) for(j=0;jseqlen;j++) putc(this_seq->tmatrix[getelem(this_seq,j)],file); else for(j=0;jseqlen;j++) putc(getelem(this_seq,j),file); fclose(file); return(0); } void ReadStatus(char *filename) { filename=0; /* int i,j; FILE *file; filename=0; char in_line[GBUFSIZ],head[GBUFSIZ]; file = fopen(filename,"r"); for(;!DONE;) { fgets(in_line,GBUFSIZ,file); if(strlen(in_line) == 0) DONE = true; else { sscanf(in_line,"%s",head); if(strncmp(head,"Col",3) != 0) { sscanf(in_line,"%*s %d",head,&(DataSet->nadd-> cursor_x),&(DataSet->nadd->cursory); } else if(strncmp(head,"Pos",3) != 0) { } } } */ } void NormalizeOffset(NA_Alignment *aln) { int i; size_t j; int offset = 99999999; i=0; for(j=0;jnumelements;j++) offset = MIN(offset,aln->element[j].offset); for(j=0;jnumelements;j++) aln->element[j].offset -= offset; aln->maxlen = -999999999; for(j=0;jnumelements;j++) aln->maxlen = MAX(aln->element[j].seqlen+aln->element[j].offset, aln->maxlen); aln->rel_offset += offset; if(aln->numelements == 0) aln->rel_offset = 0; return; } int WriteCMask(NA_Alignment *aln,char *filename,int method,int maskable) { size_t j; int kk,mask = -1,k,offset; char offset_str[100]; int *buf; NA_Sequence *seqs; FILE *file; if(aln == NULL) return(1); if(aln->numelements == 0) return(1); seqs = aln->element; file = fopen(filename,"w"); if(file == NULL) { Warning("Cannot open file for output"); return(1); } if(maskable && (method != SELECT_REGION)) { for(j=0;jnumelements;j++) if(seqs[j].elementtype == MASK && seqs[j].selected) mask = j; } for(j=0;jnumelements;j++) { SeqNorm(&(seqs[j])); } for(j=0;jnumelements;j++) { if(method != SELECT_REGION) { offset = seqs[j].offset; } else { for(offset=seqs[j].offset; aln->selection_mask[offset] == '0'; offset++) ; } if(offset+aln->rel_offset != 0) { sprintf(offset_str,"(%d)",offset+aln->rel_offset); } else { offset_str[0] = '\0'; } if((((int)j!=mask) && (seqs[j].selected) && method != SELECT_REGION) || (method == SELECT_REGION && seqs[j].subselected) || method == ALL) { fprintf(file,"%c%s%s\n", seqs[j].elementtype == DNA?'#': seqs[j].elementtype == RNA?'#': seqs[j].elementtype == PROTEIN?'%': seqs[j].elementtype == TEXT?'"': seqs[j].elementtype == MASK?'@':'"', seqs[j].short_name, (offset+aln->rel_offset == 0)? "":offset_str); if(seqs[j].cmask != NULL) { buf =(int*) Calloc(seqs[j].seqlen,sizeof(int) ); if(mask == -1) { for(k=0,kk=0;kkselection_mask[kk+offset]=='1') buf[k++] = (getcmask( &(seqs[j]),kk+offset)); } else buf[k++] =( getcmask( &(seqs[j]),kk+offset) ); } } else { for(k=0,kk=0;kk #include // #include #include #include //#include //#include #include #include #include #include #include #include "gde.hxx" #include "GDE_menu.h" #include "GDE_def.h" #include "GDE_extglob.h" /* Copyright (c) 1989-1990, University of Illinois board of trustees. All rights reserved. Written by Steven Smith at the Center for Prokaryote Genome Analysis. Design and implementation guidance by Dr. Gary Olsen and Dr. Carl Woese. Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. all rights reserved. Copyright (c) 1993, Steven Smith, all rights reserved. */ /* * CheckType: Check base composition to see if the sequence * appears to be an amino acid sequence. If it is, pass back * TRUE, else FALSE. */ static int CheckType(char *seq,int len) { int j,count1 = 0,count2 = 0; for(j=0;j 'a')) { count1++; if(strchr("ACGTUNacgtun",seq[j]) == NULL) count2++; } return( (count2 > count1/4)?TRUE:FALSE); } // ARB typedef struct ARB_TIME_STRUCT { int yy; int mm; int dd; int hr; int mn; int sc; } ARB_TIME; static void AsciiTime(void *b,char *asciitime) { ARB_TIME *a=(ARB_TIME*)b; int j; char temp[GBUFSIZ]; //extern char month[12][6]; a->dd = 0; a->yy = 0; a->mm = 0; sscanf(asciitime,"%d%5c%d",&(a->dd),temp,&(a->yy)); temp[5] = '\0'; for(j=0;j<12;j++) if(strcmp(temp,GDEmonth[j]) == 0) a->mm = j+1; if(a->dd <0 || a->dd > 31 || a->yy < 0 || a->mm > 11) SetTime(a); return; } // ENDARB void ReadGen(char *filename,NA_Alignment *dataset,int type) { int done = FALSE; size_t len = 0; size_t j = 0; int count,IS_REALLY_AA = FALSE; char in_line[GBUFSIZ],c; char *buffer = 0,*gencomments = NULL,fields[8][GBUFSIZ]; size_t buflen = 0; int genclen = 0,curelem = 0,n = 0; int start_col = -1; type=0;count=0; NA_Sequence *this_elem =0; FILE *file; ErrorOut5(0 != (file = fopen(filename,"r")),"No such file"); for(;fgets(in_line,GBUFSIZ,file) != 0;) { if(in_line[strlen(in_line)-1] == '\n') in_line[strlen(in_line)-1] = '\0'; if(Find(in_line,"LOCUS")) { curelem = dataset->numelements++; if(curelem == 0) { dataset->element=(NA_Sequence*) Calloc(5,sizeof(NA_Sequence)); dataset->maxnumelements = 5; } else if (curelem==dataset->maxnumelements) { (dataset->maxnumelements) *= 2; dataset->element =(NA_Sequence*) Realloc((char*)dataset->element, dataset->maxnumelements * sizeof(NA_Sequence)); } this_elem = &(dataset->element[curelem]); n = sscanf(in_line,"%s %s %s %s %s %s %s %s", fields[0],fields[1],fields[2],fields[3],fields[4], fields[5],fields[6],fields[7]); if(IS_REALLY_AA) { InitNASeq(this_elem,PROTEIN); } else if(Find(in_line,"DNA")) { InitNASeq(this_elem,DNA); } else if(Find(in_line,"RNA")) { InitNASeq(this_elem,RNA); } else if(Find(in_line,"MASK")) { InitNASeq(this_elem,MASK); } else if(Find(in_line,"TEXT")) { InitNASeq(this_elem,TEXT); } else if(Find(in_line,"PROT")) { InitNASeq(this_elem,PROTEIN); } else InitNASeq(this_elem,DNA); strncpy(this_elem->short_name,fields[1],31); AsciiTime(&(this_elem->t_stamp.origin),fields[n-1]); this_elem->attr = DEFAULT_X_ATTR; if( Find(in_line, "Circular") ) this_elem->attr |= IS_CIRCULAR; gencomments = NULL; genclen = 0; } else if(Find(in_line,"DEFINITION")) strncpy(this_elem->description,&(in_line[12]),79); else if(Find(in_line,"AUTHOR")) strncpy(this_elem->authority,&(in_line[12]),79); else if(Find(in_line," ORGANISM")) strncpy(this_elem->seq_name,&(in_line[12]),79); else if(Find(in_line,"ACCESSION")) strncpy(this_elem->id,&(in_line[12]),79); else if(Find(in_line,"ORIGIN")) { done = FALSE; len = 0; for(;done == FALSE && fgets(in_line,GBUFSIZ,file) != 0;) { if(in_line[0] != '/') { if(buflen == 0) { buflen = GBUFSIZ; buffer = Calloc(sizeof(char) , buflen); } else if (len+strlen(in_line) >= buflen) { buflen += GBUFSIZ; buffer = Realloc((char*)buffer, sizeof(char)*buflen); for(j=buflen-GBUFSIZ ;j element[curelem])); for(j=0;jelement[curelem].comments = gencomments; dataset->element[curelem].comments_len= genclen - 1; dataset->element[curelem]. comments_maxlen = genclen; gencomments = NULL; genclen = 0; } } /* * Test if sequence should be converted by the translation table * If it looks like a protein... */ if(dataset->element[curelem].rmatrix && IS_REALLY_AA == FALSE) { IS_REALLY_AA = CheckType((char*)dataset->element[curelem]. sequence,dataset->element[curelem].seqlen); if(IS_REALLY_AA == FALSE) Ascii2NA((char*)dataset->element[curelem].sequence, dataset->element[curelem].seqlen, dataset->element[curelem].rmatrix); else /* * Force the sequence to be AA */ { dataset->element[curelem].elementtype = PROTEIN; dataset->element[curelem].rmatrix = NULL; dataset->element[curelem].tmatrix = NULL; dataset->element[curelem].col_lut = Default_PROColor_LKUP; } } } else if (Find(in_line,"ZZZZZ")) { Cfree(gencomments); genclen = 0; } else { if (gencomments == NULL) { gencomments = strdup(in_line); genclen = strlen(gencomments)+1; } else { genclen += strlen(in_line)+1; gencomments = Realloc((char*)gencomments,genclen * sizeof(char)); strncat(gencomments,in_line,GBUFSIZ); strncat(gencomments,"\n",GBUFSIZ); } } } Cfree(buffer); fclose(file); for(j=0;jnumelements;j++) dataset->maxlen = MAX(dataset->maxlen, dataset->element[j].seqlen+dataset->element[j].offset); //return; } int WriteGen(NA_Alignment *aln,char *filename,int method,int maskable) { int i; size_t j; int k,mask = -1; FILE *file; //extern char month[12][6]; NA_Sequence *this_elem; char c; if(aln == NULL) return(1); // ARB //if(aln->na_ddata == NULL) // return(1); file = fopen(filename,"w"); if(file == NULL) { Warning("Cannot open file for output"); return(1); } if(maskable && method != SELECT_REGION) for(j=0;jnumelements;j++) if(aln->element[j].elementtype == MASK && aln->element[j].selected) mask = j; for(j=0;jnumelements;j++) { this_elem = &(aln->element[j]); if ((aln->element[j].selected && (int)j!=mask && method != SELECT_REGION) ||(aln->element[j].subselected && method == SELECT_REGION) || (method == ALL)) { fprintf(file, "LOCUS %10s%8d bp %4s %10s %2d%5s%4d\n", this_elem->short_name,this_elem->seqlen+this_elem->offset, (this_elem->elementtype == DNA) ? "DNA": (this_elem->elementtype ==RNA)?"RNA": (this_elem->elementtype == MASK)?"MASK": (this_elem->elementtype == PROTEIN)?"PROT":"TEXT", this_elem->attr & IS_CIRCULAR?"Circular":"", this_elem->t_stamp.origin.dd, GDEmonth[this_elem->t_stamp.origin.mm-1], (this_elem->t_stamp.origin.yy>1900)?this_elem->t_stamp.origin.yy: this_elem->t_stamp.origin.yy+1900); if(this_elem->description[0]) fprintf(file,"DEFINITION %s\n",this_elem->description); if(this_elem->seq_name[0]) fprintf(file," ORGANISM %s\n",this_elem->seq_name); if(this_elem->id[0]) fprintf(file," ACCESSION %s\n",this_elem->id); if(this_elem->authority[0]) fprintf(file," AUTHORS %s\n",this_elem->authority); if(this_elem->comments) fprintf(file,"%s\n",this_elem->comments); fprintf(file,"ORIGIN"); if(this_elem->tmatrix) { if(mask == -1) { for(i=0,k=0;kseqlen+this_elem->offset;k++) { if(method == SELECT_REGION) { if(aln->selection_mask[k] == '1') { if(i%60 == 0) fprintf(file,"\n%9d",i+1); if(i%10 == 0) fprintf(file," "); fprintf(file,"%c",this_elem->tmatrix [getelem(this_elem,k)]); i++; } } else { if(i%60 == 0) fprintf(file,"\n%9d",i+1); if(i%10 == 0) fprintf(file," "); fprintf(file,"%c",this_elem->tmatrix [getelem(this_elem,k)]); i++; } } } else { for(k=0;kseqlen+this_elem->offset;k++) { c =(char)getelem(&(aln->element[mask]),k); if(c != '0' && c!= '-') { if(k%60 == 0) fprintf(file,"\n%9d",k+1); if(k%10 == 0) fprintf(file," "); fprintf(file,"%c",this_elem->tmatrix [getelem(this_elem,k)]); } } } } else { if(mask == -1) { for(i=0,k=0;kseqlen+this_elem->offset;k++) { if(method == SELECT_REGION) { if(aln->selection_mask[k] == '1') { if(i%60 == 0) fprintf(file,"\n%9d",i+1); if(i%10 == 0) fprintf(file," "); fprintf(file,"%c", getelem(this_elem,k)); i++; } } else { if(i%60 == 0) fprintf(file,"\n%9d",i+1); if(i%10 == 0) fprintf(file," "); fprintf(file,"%c",getelem(this_elem,k)); i++; } } } else { for(k=0;kseqlen+this_elem->offset;k++) { c =(char)getelem(&(aln->element[mask]),k); if(c != '0' && c!= '-') { if(k%60 == 0) fprintf(file,"\n%9d",k+1); if(k%10 == 0) fprintf(file," "); fprintf(file,"%c",getelem(this_elem,k)); } } } } fprintf(file,"\n//\n"); } } fclose(file); return(0); } void SetTime(void *b) { ARB_TIME *a=(ARB_TIME*)b; struct tm *tim; //*localtime(); time_t clock; clock = time(0); tim = localtime(&clock); a->yy = tim->tm_year; a->mm = tim->tm_mon+1; a->dd = tim->tm_mday; a->hr = tim->tm_hour; a->mn = tim->tm_min; a->sc = tim->tm_sec; return; } ./arbsrc_9167/ARB_GDE/GDE_global.h0000644012664100000130000002122311440743001016304 0ustar arb_buildcoders// ================================================================ // // // // File : GDE_global.h // // Purpose : Global data for GDE interface // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef GDE_GLOBAL_H #define GDE_GLOBAL_H /* global.h */ int DataType; int FileFormat,first_select = FALSE; /*int Dirty,OldEditMode,EditMode = INSERT, EditDir = RIGHT;*/ int DisplayAttr = 0,OVERWRITE = FALSE; int SCALE = 1; int BlockInput = FALSE; #ifdef SeeAlloc int TotalCalloc = 0; int TotalRealloc = 0; #endif char FileName[80]; char current_dir[1024]; /* * Months of the year */ const char *GDEmonth[] = { "-JAN-","-FEB-","-MAR-","-APR-","-MAY-","-JUN-", "-JUL-","-AUG-","-SEP-","-OCT-","-NOV-","-DEC-" }; /* * Tables for DNA/RNA <--> ASCII translation */ int Default_RNA_Trans[128] = { '-','A','C','M','G','R','S','V','U','W','Y','H','K','D','B','N',/*Upper*/ '.','a','c','m','g','r','s','v','u','w','y','h','k','d','b','n',/*lower*/ '-','A','C','M','G','R','S','V','U','W','Y','H','K','D','B','N',/*Upper select*/ '.','a','c','m','g','r','s','v','u','w','y','h','k','d','b','n',/*lwr select*/ '-','A','C','M','G','R','S','V','U','W','Y','H','K','D','B','N',/*extended*/ '~','a','c','m','g','r','s','v','u','w','y','h','k','d','b','n',/*extended*/ '-','A','C','M','G','R','S','V','U','W','Y','H','K','D','B','N',/*extended*/ '~','a','c','m','g','r','s','v','u','w','y','h','k','d','b','n',/*extended*/ }; int Default_DNA_Trans[128] = { '-','A','C','M','G','R','S','V','T','W','Y','H','K','D','B','N',/*Upper*/ '.','a','c','m','g','r','s','v','t','w','y','h','k','d','b','n',/*lower*/ '-','A','C','M','G','R','S','V','T','W','Y','H','K','D','B','N',/*Upper select*/ '.','a','c','m','g','r','s','v','t','w','y','h','k','d','b','n',/*lwr select*/ '-','A','C','M','G','R','S','V','T','W','Y','H','K','D','B','N',/*extended*/ '~','a','c','m','g','r','s','v','t','w','y','h','k','d','b','n',/*extended*/ '-','A','C','M','G','R','S','V','T','W','Y','H','K','D','B','N',/*extended*/ '~','a','c','m','g','r','s','v','t','w','y','h','k','d','b','n',/*extended*/ }; int Default_NA_RTrans[128] = { 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0x10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, /* Upper case alpha */ 0x01,0xe,0x02,0x0d,0,0,0x04,0x0b,0,0,0x0c,0,0x03,0x0f,0,0,0,0x05,0x06,0x08, 0x08,0x07,0x09,0x0f,0xa,0,0,0,0,0,0,0, /* Lower case alpha */ 0x11,0x1e,0x12,0x1d,0,0,0x14,0x1b,0,0,0x1c,0,0x13,0x1f,0,0,0,0x15,0x16,0x18, 0x18,0x17,0x19,0x1f,0x1a,0,0,0,0,0x10,0 }; /* * RGB values for the simple palette */ /* * Character->color lookup table */ int Default_NAColor_LKUP[128] = { 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13, 13,3,6,13,8,13,13,13,5,13,13,13,13,13,13,13 }; int Default_PROColor_LKUP[128] = { 12,12,12,12,12,12,12,12,12,12,12,12,12,12,12,12, 12,12,12,12,12,12,12,12,12,12,12,12,12,12,12,12, 12,12,12,12,12,12,12,12,12,12,12,12,12,12,12,12, 12,12,12,12,12,12,12,12,12,12,12,12,12,12,12,12, 12,2,8,3,8,8,6,2,4,5,12,4,5,5,8,12,2, 8,4,2,2,12,5,6,12,6,8,12,12,12,12,12,12, 2,8,3,8,8,6,2,4,5,12,4,5,5,8,12,2, 8,4,2,2,12,5,6,12,6,8,12,12,12,12,12 }; const char *vert_mito[512] = { "AAA","Lys", "AAC","Asn", "AAG","Lys", "AAT","Asn", "ACA","Thr", "ACC","Thr", "ACG","Thr", "ACT","Thr", "AGA","Ter", "AGC","Ser", "AGG","Ter", "AGT","Ser", "ATA","Met", "ATC","Ile", "ATG","Met", "ATT","Ile", "CAA","Gln", "CAC","His", "CAG","Gln", "CAT","His", "CCA","Pro", "CCC","Pro", "CCG","Pro", "CCT","Pro", "CGA","Arg", "CGC","Arg", "CGG","Arg", "CGT","Arg", "CTA","Leu", "CTC","Leu", "CTG","Leu", "CTT","Leu", "GAA","Glu", "GAC","Asp", "GAG","Glu", "GAT","Asp", "GCA","Ala", "GCC","Ala", "GCG","Ala", "GCT","Ala", "GGA","Gly", "GGC","Gly", "GGG","Gly", "GGT","Gly", "GTA","Val", "GTC","Val", "GTG","Val", "GTT","Val", "TAA","Ter", "TAC","Tyr", "TAG","Ter", "TAT","Tyr", "TCA","Ser", "TCC","Ser", "TCG","Ser", "TCT","Ser", "TGA","Trp", "TGC","Cys", "TGG","Trp", "TGT","Cys", "TTA","Leu", "TTC","Phe", "TTG","Leu", "TTT","Phe" }, *mycoplasma[512] = { "AAA","Lys", "AAC","Asn", "AAG","Lys", "AAT","Asn", "ACA","Thr", "ACC","Thr", "ACG","Thr", "ACT","Thr", "AGA","Arg", "AGC","Ser", "AGG","Arg", "AGT","Ser", "ATA","Ile", "ATC","Ile", "ATG","Met", "ATT","Ile", "CAA","Gln", "CAC","His", "CAG","Gln", "CAT","His", "CCA","Pro", "CCC","Pro", "CCG","Pro", "CCT","Pro", "CGA","Arg", "CGC","Arg", "CGG","Arg", "CGT","Arg", "CTA","Leu", "CTC","Leu", "CTG","Leu", "CTT","Leu", "GAA","Glu", "GAC","Asp", "GAG","Glu", "GAT","Asp", "GCA","Ala", "GCC","Ala", "GCG","Ala", "GCT","Ala", "GGA","Gly", "GGC","Gly", "GGG","Gly", "GGT","Gly", "GTA","Val", "GTC","Val", "GTG","Val", "GTT","Val", "TAA","Ter", "TAC","Tyr", "TAG","Ter", "TAT","Tyr", "TCA","Ser", "TCC","Ser", "TCG","Ser", "TCT","Ser", "TGA","Trp", "TGC","Cys", "TGG","Trp", "TGT","Cys", "TTA","Leu", "TTC","Phe", "TTG","Leu", "TTT","Phe" }, *universal[512] = { "AAA","Lys", "AAC","Asn", "AAG","Lys", "AAT","Asn", "ACA","Thr", "ACC","Thr", "ACG","Thr", "ACT","Thr", "AGA","Arg", "AGC","Ser", "AGG","Arg", "AGT","Ser", "ATA","Ile", "ATC","Ile", "ATG","Met", "ATT","Ile", "CAA","Gln", "CAC","His", "CAG","Gln", "CAT","His", "CCA","Pro", "CCC","Pro", "CCG","Pro", "CCT","Pro", "CGA","Arg", "CGC","Arg", "CGG","Arg", "CGT","Arg", "CTA","Leu", "CTC","Leu", "CTG","Leu", "CTT","Leu", "GAA","Glu", "GAC","Asp", "GAG","Glu", "GAT","Asp", "GCA","Ala", "GCC","Ala", "GCG","Ala", "GCT","Ala", "GGA","Gly", "GGC","Gly", "GGG","Gly", "GGT","Gly", "GTA","Val", "GTC","Val", "GTG","Val", "GTT","Val", "TAA","Ter", "TAC","Tyr", "TAG","Ter", "TAT","Tyr", "TCA","Ser", "TCC","Ser", "TCG","Ser", "TCT","Ser", "TGA","Ter", "TGC","Cys", "TGG","Trp", "TGT","Cys", "TTA","Leu", "TTC","Phe", "TTG","Leu", "TTT","Phe" }, *yeast[512] = { "AAA","Lys", "AAC","Asn", "AAG","Lys", "AAT","Asn", "ACA","Thr", "ACC","Thr", "ACG","Thr", "ACT","Thr", "AGA","Arg", "AGC","Ser", "AGG","Arg", "AGT","Ser", "ATA","Met", "ATC","Ile", "ATG","Met", "ATT","Ile", "CAA","Gln", "CAC","His", "CAG","Gln", "CAT","His", "CCA","Pro", "CCC","Pro", "CCG","Pro", "CCT","Pro", "CGA","Arg", "CGC","Arg", "CGG","Arg", "CGT","Arg", "CTA","Thr", "CTC","Thr", "CTG","Thr", "CTT","Thr", "GAA","Glu", "GAC","Asp", "GAG","Glu", "GAT","Asp", "GCA","Ala", "GCC","Ala", "GCG","Ala", "GCT","Ala", "GGA","Gly", "GGC","Gly", "GGG","Gly", "GGT","Gly", "GTA","Val", "GTC","Val", "GTG","Val", "GTT","Val", "TAA","Ter", "TAC","Tyr", "TAG","Ter", "TAT","Tyr", "TCA","Ser", "TCC","Ser", "TCG","Ser", "TCT","Ser", "TGA","Trp", "TGC","Cys", "TGG","Trp", "TGT","Cys", "TTA","Leu", "TTC","Phe", "TTG","Leu", "TTT","Phe" }; const char *three_to_one[23] = { "AlaA", "ArgR", "AsnN", "AspD", "AsxB", "CysC", "GlnQ", "GluE", "GlxZ", "GlyG", "HisH", "IleI", "LeuL", "LysK", "MetM", "PheF", "ProP", "SerS", "ThrT", "TrpW", "TyrY", "ValV", "Ter*" }; #if 0 static unsigned char grey0[] = {0,0,0,0,0,0,0,0}; static unsigned char grey1[] = {138,0,0,0,138,0,0,0}; static unsigned char grey2[] = {138,0,34,0,138,0,34,0}; static unsigned char grey3[] = {138,85,34,85,138,85,34,85}; static unsigned char grey4[] = {117,170,221,170,117,170,221,170}; static unsigned char grey5[] = {117,255,221,255,117,255,221,255}; static unsigned char grey6[] = {117,255,255,255,117,255,255,255}; static unsigned char grey7[] = {255,255,255,255,255,255,255,255}; unsigned char *greys[] = {grey1,grey3,grey3,grey1,grey2,grey3,grey0,grey3, grey0,grey1,grey2,grey3,grey4,grey5,grey6,grey7}; char *grey_pm[16]; /*Pixmap instead of char !?!*/ #endif #else #error GDE_global.h included twice #endif // GDE_GLOBAL_H ./arbsrc_9167/ARB_GDE/GDE_HGLfile.cxx0000644012664100000130000006524211440743001016702 0ustar arb_buildcoders#include #include #include // #include #include #include //#include //#include #include #include #include #include #include #include "gde.hxx" #include "GDE_menu.h" #include "GDE_def.h" #include "GDE_extglob.h" /* Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. All rights reserved. */ static void AdjustGroups(NA_Alignment *aln) { size_t i; size_t j; int c,done=FALSE; #ifdef HGL return; #else for(c=0;c<200 && !done;c++) { for(j=1;j<=aln->numgroups;j++) { done = FALSE; for(i=0;inumelements;i++) { if(aln->element[i].groupid == j) { if(aln->element[i].groupf!=NULL || aln->element[i].groupb!=NULL) done = TRUE; else aln->element[i].groupid = 0; } } if(done == FALSE) { for(i=0;inumelements;i++) if(aln->element[i].groupid == aln->numgroups) aln->element[i].groupid = j; aln->numgroups--; } } if(aln->numgroups == 0) done = TRUE; } return; #endif } static void StripSpecial(char *string) { int i,j,len; i=0; len = strlen(string); for(j=0;j=0 && (string[j]=='\n'||string[j]==' '); j--) { string[j] = '\0'; } //return; } /* * OverWrite(), overwrite all non-default data from a sequence entry * onto any entry with the same ID or short name. */ static int OverWrite(NA_Sequence *thiss,NA_Alignment *aln) { size_t j; int indx = -1; NA_Sequence *that; for(j=0;jnumelements;j++) { if(Find2(thiss->id,aln->element[j].id) != -1) if(Find2(aln->element[j].id,thiss->id) != -1) indx = j; } if(indx == -1) for(j=0;jnumelements;j++) { if(Find2(thiss->short_name,aln->element[j].short_name)!= -1) if(Find2(aln->element[j].short_name,thiss->short_name)!= -1) indx = j; } if(indx != -1) { that = &(aln->element[indx]); if(thiss->seq_name[0]) strcpy(that->seq_name,thiss->seq_name); if(thiss->barcode[0]) strcpy(that->barcode,thiss->barcode); if(thiss->contig[0]) strcpy(that->contig,thiss->contig); if(thiss->membrane[0]) strcpy(that->membrane,thiss->membrane); if(thiss->authority[0]) strcpy(that->authority,thiss->authority); if(thiss->short_name[0]) strcpy(that->short_name,thiss->short_name); if(thiss->description[0]) strcpy(that->description,thiss->description); if(thiss->sequence) { free((char*)that->sequence); that->sequence = thiss->sequence; that->seqlen = thiss->seqlen; that->seqmaxlen = thiss->seqmaxlen; } if(thiss->baggage) { that->baggage_len += thiss->baggage_len; that->baggage_maxlen += thiss->baggage_maxlen; if(that->baggage) that->baggage = Realloc(that->baggage,that->baggage_maxlen*sizeof(char)); else that->baggage = Calloc(that->baggage_maxlen,sizeof(char)); strncat(that->baggage,thiss->baggage,that->baggage_maxlen); } if(thiss->comments) { that->comments_len += thiss->comments_len; that->comments_maxlen += thiss->comments_maxlen; if(that->comments) that->comments = Realloc(that->comments,that->comments_maxlen*sizeof(char)); else that->comments = Calloc(that->comments_maxlen,sizeof(char)); strncat(that->comments,thiss->comments,that->comments_maxlen); } if(thiss->cmask) { free((char*)that->cmask); that->cmask = thiss->cmask; } if(thiss->offset != that->offset) that->offset = thiss->offset; if(thiss->attr != 0) that->attr = thiss->attr; if(thiss->groupid != 0) { that->groupid = thiss->groupid; } that->groupb = NULL; that->groupf = NULL; } return(indx); } void ReadGDE(char *filename,NA_Alignment *dataset,int type) { int done = FALSE; size_t len = 0, j=0; int success,count,temp = 0; char in_line[GBUFSIZ],c; char *buffer,*line; size_t buflen = GBUFSIZ; int genclen = 0,curelem = 0; NA_Sequence *this_elem = NULL,temp_elem; FILE *file; type=0;count=0;c=0; ErrorOut5(0!=(file = fopen(filename,"r")),"No such file"); for(;fgets(in_line,GBUFSIZ,file) != 0;) { for(line = in_line;line[0]==' ' || line[0] == '\t';line++) ; if(Find2(line,"{")==0) { this_elem = &temp_elem; InitNASeq(this_elem,DNA); this_elem->offset = -(dataset->rel_offset); } else if(Find2(line,"type")==0) { if(Find(line,"DNA")) { this_elem->elementtype = DNA; this_elem->tmatrix = Default_DNA_Trans; this_elem->rmatrix = Default_NA_RTrans; } else if(Find(line,"RNA")) { this_elem->elementtype = RNA; this_elem->tmatrix = Default_RNA_Trans; this_elem->rmatrix = Default_NA_RTrans; } else if(Find(line,"MASK")) { this_elem->elementtype = MASK; this_elem->rmatrix = NULL; this_elem->tmatrix = NULL; this_elem->col_lut = NULL; } else if(Find(line,"TEXT")) { this_elem->elementtype = TEXT; this_elem->rmatrix = NULL; this_elem->tmatrix = NULL; this_elem->col_lut = NULL; } else if(Find(line,"PROT")) { this_elem->elementtype = PROTEIN; this_elem->rmatrix = NULL; this_elem->tmatrix = NULL; this_elem->col_lut = Default_PROColor_LKUP; } /* this_elem->attr = DEFAULT_X_ATTR; */ } else if(Find2(line,"circular")==0) { sscanf(line,"%*s %d",&temp); if(temp == 1) { this_elem->attr |= IS_CIRCULAR; } else { this_elem->attr &= ~IS_CIRCULAR; } } else if(Find2(line,"orig_direction")==0) { sscanf(line,"%*s %d",&temp); if(temp == 1) { this_elem->attr |= IS_ORIG_5_TO_3; this_elem->attr &= ~IS_ORIG_3_TO_5; } else { this_elem->attr |= IS_ORIG_3_TO_5; this_elem->attr &= ~IS_ORIG_5_TO_3; } } else if(Find2(line,"direction")==0) { sscanf(line,"%*s %d",&temp); if(temp == 1) { this_elem->attr |= IS_5_TO_3; this_elem->attr &= ~IS_3_TO_5; } else { this_elem->attr |= IS_3_TO_5; this_elem->attr &= ~IS_5_TO_3; } } else if(Find2(line,"orig_strand")==0) { sscanf(line,"%*s %d",&temp); if(temp == 1) { this_elem->attr |= IS_ORIG_PRIMARY; this_elem->attr &= ~IS_ORIG_SECONDARY; } else { this_elem->attr |= IS_ORIG_SECONDARY; this_elem->attr &= ~IS_ORIG_PRIMARY; } } else if(Find2(line,"strandedness")==0) { sscanf(line,"%*s %d",&temp); if(temp == 1) { this_elem->attr |= IS_PRIMARY; this_elem->attr &= ~IS_SECONDARY; } else { this_elem->attr |= IS_SECONDARY; this_elem->attr &= ~IS_PRIMARY; } } else if(Find2(line,"creator")==0) { sscanf(line,"%*s %[^\n]",this_elem->authority); RemoveQuotes(this_elem->authority); } else if(Find2(line,"longname")==0) { sscanf(line,"%*s %[^\n]",this_elem->seq_name); RemoveQuotes(this_elem->seq_name); } else if(Find2(line,"descrip")==0) { sscanf(line,"%*s %[^\n]",this_elem->description); RemoveQuotes(this_elem->description); } else if(Find2(line,"name")==0) { sscanf(line,"%*s %[^\n]",this_elem->short_name); RemoveQuotes(this_elem->short_name); } else if(Find2(line,"group-ID")==0) { sscanf(line,"%*s %zu",&(this_elem->groupid)); dataset->numgroups = MAX(this_elem->groupid, dataset->numgroups); } else if(Find2(line,"sequence-ID")==0) { sscanf(line,"%*s %[^\n]",this_elem->id); RemoveQuotes(this_elem->id); } else if(Find2(line,"barcode")==0) { sscanf(line,"%*s %[^\n]",this_elem->barcode); RemoveQuotes(this_elem->barcode); } else if(Find2(line,"membrane")==0) { sscanf(line,"%*s %[^\n]",this_elem->membrane); RemoveQuotes(this_elem->membrane); } else if(Find2(line,"contig")==0) { sscanf(line,"%*s %[^\n]",this_elem->contig); RemoveQuotes(this_elem->contig); } else if(Find2(line,"creation-date")==0) { sscanf(line,"%*s %2d%*c%2d%*c%2d%*c%2d%*c%2d%*c%2d\n", &(this_elem->t_stamp.origin.mm), &(this_elem->t_stamp.origin.dd), &(this_elem->t_stamp.origin.yy), &(this_elem->t_stamp.origin.hr), &(this_elem->t_stamp.origin.mn), &(this_elem->t_stamp.origin.sc)); } else if(Find2(line,"offset")==0) { sscanf(line,"%*s %d",&(this_elem->offset)); this_elem->offset -= dataset->rel_offset; } else if(Find2(line,"comments")==0) { if(this_elem->comments_maxlen ==0) buflen = 2048; else buflen = this_elem->comments_maxlen; done = FALSE; len = this_elem->comments_len; for(;line[0] != '"';line++) if(line[0] == '\0') ErrorOut5(0,"Error in input file"); line++; buffer = Calloc(buflen,sizeof(char)); for(;!done;) { for(j=0;j= buflen) { buflen *=2; buffer = Realloc(buffer, buflen*sizeof(char)); } if(line[j] == '"') done = TRUE; else buffer[len++] = line[j]; } /* * Check pad with null */ buffer[len] = '\0'; if(!done) { if(fgets(in_line,GBUFSIZ,file) == 0) done = TRUE; line = in_line; } } this_elem->comments = buffer; this_elem->comments_len = strlen(buffer); this_elem->comments_maxlen = buflen; RemoveQuotes(this_elem->comments); } else if(Find2(line,"sequence")==0) { buflen = GBUFSIZ; done = FALSE; len = 0; buffer = Calloc(buflen,sizeof(char)); for(;line[0] != '"';line++) if(line[0] == '\0') ErrorOut5(0,"Error in input file"); line++; for(;!done;) { for(j=0;j= buflen) { buflen *=2; buffer = Realloc(buffer, buflen*sizeof(char)); } if(line[j] == '"') done = TRUE; else { /* * If not text, ignore spaces... */ if(this_elem->elementtype !=TEXT) { if(line[j]!=' ' && line[j] != '\t' && line[j] != '\n') buffer[len++] = line[j]; } else if(line[j] != '\t' && line[j] != '\n') buffer[len++] = line[j]; } } if(!done) { if(fgets(in_line,GBUFSIZ,file) == 0) done = TRUE; line = in_line; } } if(this_elem->rmatrix) { for(j=0;jrmatrix[(unsigned char)buffer[j]]; } } this_elem->sequence =(NA_Base*)buffer; this_elem->seqlen = len; this_elem->seqmaxlen = buflen; } else if (Find2(line,"}")==0) { if(this_elem->id[0] == '\0') strncpy(this_elem->id,uniqueID(),79); if(this_elem->short_name[0] == '\0') strncpy(this_elem->short_name,this_elem->id,79); if(this_elem->seqlen == 0) this_elem->protect= PROT_BASE_CHANGES+ PROT_GREY_SPACE+ PROT_WHITE_SPACE+ PROT_TRANSLATION; genclen = 0; /* * Make a new sequence entry... */ success = -1; if(OVERWRITE) success = OverWrite(this_elem,dataset); if(success == -1) { curelem = dataset->numelements++; if(curelem == 0) { dataset->element=(NA_Sequence*) Calloc(5,sizeof(NA_Sequence)); dataset->maxnumelements = 5; } else if (curelem==dataset->maxnumelements) { (dataset->maxnumelements) *= 2; dataset->element =(NA_Sequence*) Realloc((char*)dataset->element, dataset->maxnumelements * sizeof(NA_Sequence)); } dataset->element[curelem] = *this_elem; } } else if(this_elem != NULL) { if (this_elem->baggage == NULL) { this_elem->baggage = strdup(line); this_elem->baggage_maxlen = this_elem->baggage_len = strlen(this_elem->baggage)+1; } else { this_elem->baggage_len += strlen(line)+1; this_elem->baggage = Realloc( this_elem->baggage,this_elem->baggage_len * sizeof(char)); this_elem->baggage_maxlen = this_elem->baggage_len; strncat(this_elem->baggage,line,GBUFSIZ); } } } fclose(file); NormalizeOffset(dataset); Regroup(dataset); AdjustGroups(dataset); return; } int WriteGDE(NA_Alignment *aln,char *filename,int method,int maskable) { int i; size_t j; int k,mask = -1; FILE *file; NA_Sequence *this_elem; //extern char month[12][6]; if(aln == NULL) return(1); //ARB //if(aln->na_ddata == NULL) // return(1); //ARB END file = fopen(filename,"w"); if(file == NULL) { Warning("Cannot open file for output"); return(1); } if(maskable && method != SELECT_REGION) for(j=0;jnumelements;j++) if(aln->element[j].elementtype == MASK && aln->element[j].selected) mask = j; for(j=0;jnumelements;j++) { if((aln->element[j].selected && (int)j!=mask && method!=SELECT_REGION) || (method == ALL) || (aln->element[j].subselected && method == SELECT_REGION)) { this_elem = &(aln->element[j]); /*SeqNorm(this_elem);*/ fprintf(file,"{\n"); if(this_elem->short_name[0]) fprintf(file,"name \"%s\"\n",this_elem->short_name); switch(this_elem->elementtype) { case DNA: fprintf(file,"type \"DNA\"\n"); break; case RNA: fprintf(file,"type \"RNA\"\n"); break; case PROTEIN: fprintf(file,"type \"PROTEIN\"\n"); break; case MASK: fprintf(file,"type \"MASK\"\n"); break; case TEXT: fprintf(file,"type \"TEXT\"\n"); break; } if(this_elem->seq_name[0]) fprintf(file,"longname %s\n",this_elem->seq_name); if(this_elem->id[0]) fprintf(file,"sequence-ID \"%s\"\n",this_elem->id); RemoveQuotes(this_elem->barcode); RemoveQuotes(this_elem->contig); if(this_elem->barcode[0]) fprintf(file,"barcode \"%s\"\n",this_elem->barcode); if(this_elem->membrane[0]) fprintf(file,"membrane \"%s\"\n",this_elem->membrane); if(this_elem->contig[0]) fprintf(file,"contig \"%s\"\n",this_elem->contig); if(this_elem->description[0]) fprintf(file,"descrip \"%s\"\n",this_elem->description); if(this_elem->authority[0]) fprintf(file,"creator \"%s\"\n",this_elem->authority); if(this_elem->groupid) fprintf(file,"group-ID %zu\n", this_elem->groupid); if(this_elem->offset+aln->rel_offset && method!=SELECT_REGION) fprintf(file,"offset %d\n",this_elem->offset+aln->rel_offset); if(method == SELECT_REGION) { /* * If selecting a region, the offset should be moved to the first * non-'0' space in the mask. */ for(k=this_elem->offset;kselection_mask_len && aln->selection_mask[k] == '0';k++) ; fprintf(file,"offset %d\n", aln->rel_offset+k); } if(this_elem->t_stamp.origin.mm != 0) fprintf(file, "creation-date %2d/%2d/%2d %2d:%2d:%2d\n", this_elem->t_stamp.origin.mm, this_elem->t_stamp.origin.dd, (this_elem->t_stamp.origin.yy)>1900? (this_elem->t_stamp.origin.yy-1900): (this_elem->t_stamp.origin.yy), this_elem->t_stamp.origin.hr, this_elem->t_stamp.origin.mn, this_elem->t_stamp.origin.sc); if((this_elem->attr & IS_ORIG_5_TO_3) && ((this_elem->attr & IS_ORIG_3_TO_5) == 0)) fprintf(file,"orig_direction 1\n"); if((this_elem->attr & IS_CIRCULAR) ) fprintf(file,"circular 1\n"); if((this_elem->attr & IS_5_TO_3) && ((this_elem->attr & IS_3_TO_5) == 0)) fprintf(file,"direction 1\n"); if((this_elem->attr & IS_ORIG_3_TO_5) && ((this_elem->attr & IS_ORIG_5_TO_3) == 0)) fprintf(file,"orig_direction -1\n"); if((this_elem->attr & IS_3_TO_5) && ((this_elem->attr & IS_5_TO_3) == 0)) fprintf(file,"direction -1\n"); if((this_elem->attr & IS_ORIG_PRIMARY) && ((this_elem->attr & IS_ORIG_SECONDARY) == 0)) fprintf(file,"orig_strand 1\n"); if((this_elem->attr & IS_PRIMARY) && ((this_elem->attr & IS_SECONDARY) == 0)) fprintf(file,"strandedness 1\n"); if(((this_elem->attr & IS_ORIG_PRIMARY) == 0) && (this_elem->attr & IS_ORIG_SECONDARY)) fprintf(file,"orig_strand 2\n"); if(((this_elem->attr & IS_PRIMARY) == 0) && (this_elem->attr & IS_SECONDARY)) fprintf(file,"strandedness 2\n"); if(this_elem->comments != NULL) { StripSpecial(this_elem->comments); fprintf(file,"comments \"%s\"\n",this_elem->comments); } if(this_elem->baggage != NULL) { if(this_elem-> baggage[strlen(this_elem->baggage)-1] == '\n') fprintf(file,"%s",this_elem->baggage); else fprintf(file,"%s\n",this_elem->baggage); } fprintf(file,"sequence \""); if(this_elem->tmatrix) { if(mask == -1) { for(k=this_elem->offset;kseqlen+this_elem->offset;k++) { if(k%60 == 0) putc('\n',file); if(method == SELECT_REGION) { if(aln->selection_mask[k] == '1') putc(this_elem->tmatrix[getelem(this_elem,k)], file); } else putc(this_elem->tmatrix[getelem(this_elem,k)], file); } } else { for(i=0,k=this_elem->offset;kseqlen+this_elem->offset;k++) if(aln->element[mask].seqlen+this_elem->offset>k) if((char)getelem(&(aln->element[mask]),k) != '0' && ((char)getelem(&(aln->element[mask]),k) != '-')) { if(i%60 == 0) putc('\n',file); putc(this_elem->tmatrix[getelem(this_elem,k)], file); i++; } } fprintf(file,"\"\n"); } else { if(mask == -1) { for(k=this_elem->offset;kseqlen+this_elem->offset;k++) { if(k%60 == 0) putc('\n',file); if(method == SELECT_REGION) { if(aln->selection_mask[k] == '1') putc(getelem(this_elem,k),file); } else putc(getelem(this_elem,k),file); } } else { for(i=0,k=this_elem->offset;kseqlen+this_elem->offset;k++) if(((aln->element[mask].seqlen)+(aln->element[mask]. offset)) > k) if((char)getelem(&(aln->element[mask]),k) == '1') { if(i%60 == 0) putc('\n',file); putc(getelem(this_elem,k),file); i++; } } fprintf(file,"\"\n"); } fprintf(file,"}\n"); } } fclose(file); return(0); } /* * Normalize seq (remove leading indels in the sequence; */ void SeqNorm(NA_Sequence *seq) { int len,j,shift_width,trailer; char *sequence; len = seq->seqlen; sequence =(char*)seq->sequence; if(len == 0) return; if(seq->tmatrix) { for(shift_width=0; (shift_widthseqlen -= shift_width; seq->offset += shift_width; for (trailer=seq->seqlen-1; (sequence[trailer] =='-' || sequence[trailer] == '\0') && trailer>=0; trailer--) { sequence[trailer] = '\0'; } seq->seqlen = trailer+1; return; } /* ALWAYS COPY the result from uniqueID() to a char[32], * (strlen(hostname)+1+10). Memory is lost when the function * is finished. */ char *uniqueID() { static char vname[32]; time_t *tp; static int cnt = 0; tp = (time_t *)Calloc(1, sizeof(time_t)); time(tp); sprintf(vname, "host:%d:%ld", cnt, *tp); cnt++; Cfree((char*)tp); return(vname); } ./arbsrc_9167/ARB_GDE/gde.hxx0000644012664100000130000000255711440743001015515 0ustar arb_buildcoders// ================================================================ // // // // File : gde.hxx // // Purpose : external interface of GDE functionality // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef GDE_HXX #define GDE_HXX typedef unsigned char uchar; typedef enum { CGSS_WT_DEFAULT, CGSS_WT_EDIT, CGSS_WT_EDIT4 } gde_cgss_window_type; void create_gde_var(AW_root *aw_root, AW_default aw_def, char *(*get_sequences)(void *THIS, GBDATA **&the_species, uchar **&the_names, uchar **&the_sequences, long &numberspecies,long &maxalignlen)=0, gde_cgss_window_type wt=CGSS_WT_DEFAULT, void *THIS = 0); void GDE_load_menu(AW_window *awm,AW_active, const char *menulabel=0,const char *menuitemlabel=0 ); #else #error gde.hxx included twice #endif // GDE_HXX ./arbsrc_9167/ARB_GDE/GDE_menu.h0000644012664100000130000000627511440743001016022 0ustar arb_buildcoders #ifndef ARB_ASSERT_H #include #endif #define gde_assert(bed) arb_assert(bed) typedef struct GargChoicetype { char *label; /* name for display in dialog box */ char *method; /* value (if null, return choice number) */ } GargChoice; typedef struct GmenuItemArgtype { int optional; /* is this optional? */ int type; /* TEXT, SLIDER, CHOOSER, etc. */ int ivalue; double min; /* minimum range value */ double max; /* maximum range value */ double fvalue; /* default numeric value(or choice) */ int numchoices; /* number of choices */ char *textvalue; /* default text value */ int textwidth; /* text width used for input field */ char *label; /* description of arg function */ char *symbol; /* internal symbol table mapping */ char *method; /* commandline interpretation */ GargChoice *choice; /* choices */ /*ARB BEGIN*/ /* Panel_item X;*/ /* Xview menu item entry */ } GmenuItemArg; typedef struct GfileFormattype { int save; /* how should file be saved */ int overwrite; /* how should file be loaded */ int format; /* what format is each field */ int maskable; /* Can a write through mask be used? */ int select; /* what type of selection */ char *symbol; /* internal symbol table mapping */ char *name; /* file name */ } GfileFormat; typedef struct GmenuItemtype { int numargs; /* number of agruments to cmnd */ int numoutputs; /* number of outputs from cmnd */ int numinputs; /* number of input files to cmnd */ char *label; /* item name */ char *method; /* commandline produced */ GfileFormat *input; /* input definitions */ GfileFormat *output; /* output definitions */ GmenuItemArg *arg; /* arguement definitions */ char meta; /* Meta character for function */ char seqtype; /* A -> amino, N -> nucleotide, '-' -> no sequence, otherwise both */ char *help; /* commandline help */ /* ARB BEGIN */ /* Panel_item X; */ /* Xview panel */ struct Gmenutype *parent_menu; AW_window *aws; /* opened window */ } GmenuItem; typedef struct Gmenutype { int numitems; /* number of items in menu */ char *label; /* menu heading */ GmenuItem *item; /* menu items */ /* ARB BEGIN */ /* Panel_item button;*/ /* Button to activate menu */ /* Menu X;*/ /* XView menu structure */ char meta; /* Meta character for menu */ } Gmenu; // typedef unsigned char uchar; extern struct choose_get_sequence_struct { char *(*get_sequences)(void *THIS, GBDATA **&the_species, uchar **&the_names, uchar **&the_sequences, long &numberspecies,long &maxalignlen); gde_cgss_window_type wt; void *THIS; } gde_cgss; ./arbsrc_9167/ARB_GDE/GDE_ParseMenu.cxx0000644012664100000130000004525511440743001017331 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include #include #include #include "gde.hxx" #include "GDE_menu.h" #include "GDE_def.h" #include "GDE_global.h" #include "GDE_extglob.h" static int getline(FILE *file,char *string) { int c; int i; for(i=0;(c=getc(file))!='\n';i++){ if (c== EOF) break; if (i>= GBUFSIZ -2) break; string[i]=c; } string[i] = '\0'; if (i==0 && c==EOF) return (EOF); else return (0); } /* ParseMenus(): Read in the menu config file, and generate the internal menu structures used by the window system. Copyright (c) 1989, University of Illinois board of trustees. All rights reserved. Written by Steven Smith at the Center for Prokaryote Genome Analysis. Design and implementation guidance by Dr. Gary Olsen and Dr. Carl Woese. Copyright (c) 1990,1991,1992 Steven Smith at the Harvard Genome Laboratory. All rights reserved. Changed to fit into ARB by ARB development team. */ void ParseMenu() { int j,curmenu = -1,curitem = 0; int curchoice = 0 ,curarg = 0,curinput = 0, curoutput = 0; char in_line[GBUFSIZ],temp[GBUFSIZ],head[GBUFSIZ]; char tail[GBUFSIZ]; const char *home; Gmenu *thismenu = NULL; GmenuItem *thisitem = NULL; GmenuItemArg *thisarg = NULL; GfileFormat *thisinput = NULL; GfileFormat *thisoutput = NULL; FILE *file; char *resize; /* * Open the menu configuration file "$ARBHOME/GDEHELP/ARB_GDEmenus" * First search the local directory, then the home directory. */ memset((char*)&menu[0],0,sizeof(Gmenu)*GDEMAXMENU); home = GB_getenvARBHOME(); strcpy(temp,home); strcat(temp,"/GDEHELP/ARB_GDEmenus"); file=fopen(temp,"r"); if(file == NULL) Error("ARB_GDEmenus file not in the home, local, or $ARBHOME/GDEHELP directory"); /* * Read the ARB_GDEmenus file, and assemble an internal representation * of the menu/menu-item hierarchy. */ for(;getline(file,in_line) != EOF;) { /* * menu: chooses menu to use */ if (in_line[0] == '#' || (in_line[0] && in_line[1] == '#')) { ; // skip line } else if(Find(in_line,"menu:")) { crop(in_line,head,temp); curmenu = -1; for(j=0;jlabel = (char*)calloc(strlen(temp)+1,sizeof(char)); if(thismenu->label == NULL) Error("Calloc"); (void)strcpy(thismenu->label,temp); thismenu->numitems = 0; } } /* * item: chooses menu item to use */ else if(Find(in_line,"item:")) { curarg = -1; curinput = -1; curoutput = -1; crop(in_line,head,temp); curitem = thismenu->numitems++; /* * Resize the item list for this menu (add one item); */ if(curitem == 0) { resize = (char*)GB_calloc(1,sizeof(GmenuItem)); // @@@ calloc->GB_calloc avoids (rui) } else { resize = (char *)realloc((char *)thismenu->item, thismenu->numitems*sizeof(GmenuItem)); } if (resize == NULL) Error ("Calloc"); thismenu->item =(GmenuItem*)resize; thisitem = &(thismenu->item[curitem]); thisitem->label = strdup(temp); thisitem->meta = '\0'; thisitem->numinputs = 0; thisitem->numoutputs = 0; thisitem->numargs = 0; //thisitem->X = 0; thisitem->help = NULL; thisitem->parent_menu = thismenu; thisitem->aws = NULL; // no window opened yet } /* * itemmethod: generic command line generated by this item */ else if(Find(in_line,"itemmethod:")) { crop(in_line,head,temp); thisitem->method = (char*)calloc(strlen(temp)+1,sizeof(char)); if(thisitem->method == NULL) Error("Calloc"); { char *to = thisitem->method; char *from = temp; char last = 0; char c; do { c = *from++; if (c!=last || c!='\'') { /* replace '' with ' */ *to++ = c; last = c; } } while (c!=0); } //strcpy(thisitem->method,temp); } /* * Help file */ else if(Find(in_line,"itemhelp:")) { crop(in_line,head,temp); thisitem->help = (char*)calloc(strlen(temp)+1,sizeof(char)); if(thisitem->method == NULL) Error("Calloc"); (void)strcpy(thisitem->help,temp); } /* * Meta key equiv */ else if(Find(in_line,"itemmeta:")) { crop(in_line,head,temp); thisitem->meta = temp[0]; } else if(Find(in_line,"menumeta:")) { crop(in_line,head,temp); thismenu->meta = temp[0]; } /* * Sequence type restriction */ else if(Find(in_line,"seqtype:")) { crop(in_line,head,temp); thisitem->seqtype = toupper(temp[0]); /* 'A' -> amino acids, * 'N' -> nucleotides, * '-' -> don't select sequences, * otherwise any alignment */ } /* * arg: defines the symbol for a command line arguement. * this is used for substitution into the itemmethod * definition. */ else if(Find(in_line,"arg:")) { crop(in_line,head,temp); curarg=thisitem->numargs++; if(curarg == 0) resize = (char*)calloc(1,sizeof(GmenuItemArg)); else resize = (char *)realloc((char *)thisitem->arg, thisitem->numargs*sizeof(GmenuItemArg) ); memset((char *)resize + (thisitem->numargs-1)*sizeof(GmenuItemArg),0, sizeof(GmenuItemArg)); if(resize == NULL) Error("arg: Realloc"); (thisitem->arg) = (GmenuItemArg*)resize; thisarg = &(thisitem->arg[curarg]); thisarg->symbol = (char*)calloc(strlen(temp)+1, sizeof(char)); if(thisarg->symbol == NULL) Error("Calloc"); (void)strcpy(thisarg->symbol,temp); thisarg->optional = FALSE; thisarg->type = 0; thisarg->min = 0.0; thisarg->max = 0.0; thisarg->numchoices = 0; thisarg->choice = NULL; thisarg->textvalue = NULL; thisarg->ivalue = 0; thisarg->fvalue = 0.0; thisarg->label = 0; } /* * argtype: Defines the type of argument (menu,chooser, text, slider) */ else if(Find(in_line,"argtype:")) { crop(in_line,head,temp); int arglen = -1; if(strncmp(temp,"text", (arglen = 4)) == 0) { thisarg->type = TEXTFIELD; thisarg->textvalue = (char*)calloc(GBUFSIZ,sizeof(char)); if(thisarg->textvalue == NULL) Error("Out of memory"); if (temp[arglen] == 0) thisarg->textwidth = TEXTFIELDWIDTH; // only 'text' else { if (temp[arglen] != '(' || temp[strlen(temp)-1] != ')') { sprintf(head, "Unknown argtype '%s' -- syntax: text(width) e.g. text(20)", temp); Error(head); } thisarg->textwidth = atoi(temp+arglen+1); if (thisarg->textwidth<1) { sprintf(head, "Illegal textwidth specified in '%s'", temp); Error(head); } } } else if(strcmp(temp,"choice_list") == 0) thisarg->type=CHOICE_LIST; else if(strcmp(temp,"choice_menu") == 0) thisarg->type=CHOICE_MENU; else if(strcmp(temp,"chooser") == 0) thisarg->type=CHOOSER; else if(strcmp(temp,"tree") == 0) thisarg->type=CHOICE_TREE; else if(strcmp(temp,"sai") == 0) thisarg->type=CHOICE_SAI; else if(strcmp(temp,"weights") == 0) thisarg->type=CHOICE_WEIGHTS; else if(strcmp(temp,"slider") == 0) thisarg->type=SLIDER; else{ sprintf(head,"Unknown argtype '%s'",temp); Error(head); } } /* * argtext: The default text value of the symbol. * $argument is replaced by this value if it is not * changed in the dialog box by the user. */ else if(Find(in_line,"argtext:")) { crop(in_line,head,temp); (void)strcpy(thisarg->textvalue,temp); } /* * arglabel: Text label displayed in the dialog box for * this argument. It should be a discriptive label. */ else if(Find(in_line,"arglabel:")) { crop(in_line,head,temp); thisarg->label = GBS_string_eval(temp, "\\\\n=\\n", 0); } /* * Argument choice values use the following notation: * * argchoice:Displayed value:Method * * Where "Displayed value" is the label displayed in the dialog box * and "Method" is the value passed back on the command line. */ else if(Find(in_line,"argchoice:")) { crop(in_line,head,temp); crop(temp,head,tail); curchoice = thisarg->numchoices++; if(curchoice == 0) resize = (char*)calloc(1,sizeof(GargChoice)); else resize = (char *)realloc((char *)thisarg->choice, thisarg->numchoices*sizeof(GargChoice)); if(resize == NULL) Error("argchoice: Realloc"); thisarg->choice = (GargChoice*)resize; (thisarg->choice[curchoice].label) = NULL; (thisarg->choice[curchoice].method) = NULL; (thisarg->choice[curchoice].label) = (char*)calloc(strlen(head)+1,sizeof(char)); (thisarg->choice[curchoice].method) = (char*)calloc(strlen(tail)+1,sizeof(char)); if(thisarg->choice[curchoice].method == NULL || thisarg->choice[curchoice].label == NULL) Error("Calloc"); (void)strcpy(thisarg->choice[curchoice].label,head); (void)strcpy(thisarg->choice[curchoice].method,tail); } /* * argmin: Minimum value for a slider */ else if(Find(in_line,"argmin:")) { crop(in_line,head,temp); (void)sscanf(temp,"%lf",&(thisarg->min)); } /* * argmax: Maximum value for a slider */ else if(Find(in_line,"argmax:")) { crop(in_line,head,temp); (void)sscanf(temp,"%lf",&(thisarg->max)); } /* * argmethod: Command line flag associated with this argument. * Replaces argument in itemmethod description. */ else if(Find(in_line,"argmethod:")) { crop(in_line,head,temp); thisarg->method = (char*)calloc(GBUFSIZ,strlen(temp)); if(thisarg->method == NULL) Error("Calloc"); (void)strcpy(thisarg->method,tail); } /* * argvalue: default value for a slider */ else if(Find(in_line,"argvalue:")) { crop(in_line,head,temp); if(thisarg->type == TEXT){ strcpy(thisarg->textvalue,temp); }else{ (void)sscanf(temp,"%lf",&(thisarg->fvalue)); thisarg->ivalue = (int) thisarg->fvalue; } } /* * argoptional: Flag specifying that an arguement is optional */ else if(Find(in_line,"argoptional:")) thisarg->optional = TRUE; /* * in: Input file description */ else if(Find(in_line,"in:")) { crop(in_line,head,temp); curinput = (thisitem->numinputs)++; if(curinput == 0) resize = (char*)calloc(1,sizeof(GfileFormat)); else resize = (char *)realloc((char *)thisitem->input, (thisitem->numinputs)*sizeof(GfileFormat)); if(resize == NULL) Error("in: Realloc"); thisitem->input = (GfileFormat*)resize; thisinput = &(thisitem->input)[curinput]; thisinput->save = FALSE; thisinput->overwrite = FALSE; thisinput->maskable = FALSE; thisinput->format = 0; thisinput->symbol = strdup(temp); thisinput->name = NULL; thisinput->select = SELECTED; } /* * out: Output file description */ else if(Find(in_line,"out:")) { crop(in_line,head,temp); curoutput = (thisitem->numoutputs)++; if(curoutput == 0) resize = (char*)calloc(1,sizeof(GfileFormat)); else resize = (char *)realloc((char *)thisitem->output, (thisitem->numoutputs)*sizeof(GfileFormat)); if(resize == NULL) Error("out: Realloc"); thisitem->output = (GfileFormat*)resize; thisoutput = &(thisitem->output)[curoutput]; thisitem->output = (GfileFormat*)resize; thisoutput = &(thisitem->output)[curoutput]; thisoutput->save = FALSE; thisoutput->overwrite = FALSE; thisoutput->format = 0; thisoutput->symbol = strdup(temp); thisoutput->name = NULL; } else if(Find(in_line,"informat:")) { if(thisinput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); crop(in_line,head,tail); if(Find(tail,"genbank")) thisinput->format = GENBANK; else if(Find(tail,"gde")) thisinput->format = GDE; else if(Find(tail,"na_flat")) thisinput->format = NA_FLAT; else if(Find(tail,"colormask")) thisinput->format = COLORMASK; else if(Find(tail,"flat")) thisinput->format = NA_FLAT; else if(Find(tail,"status")) thisinput->format = STATUS_FILE; else fprintf(stderr,"Warning, unknown file format %s\n" ,tail); } else if(Find(in_line,"insave:")) { if(thisinput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); thisinput->save = TRUE; } else if(Find(in_line,"inselect:")) { if(thisinput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); crop(in_line,head,tail); if(Find(tail,"one")) thisinput->select = SELECT_ONE; else if(Find(tail,"region")) thisinput->select = SELECT_REGION; else if(Find(tail,"all")) thisinput->select = ALL; } else if(Find(in_line,"inmask:")) { if(thisinput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); thisinput->maskable = TRUE; } else if(Find(in_line,"outformat:")) { if(thisoutput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); crop(in_line,head,tail); if(Find(tail,"genbank")) thisoutput->format = GENBANK; else if(Find(tail,"gde")) thisoutput->format = GDE; else if(Find(tail,"na_flat")) thisoutput->format = NA_FLAT; else if(Find(tail,"flat")) thisoutput->format = NA_FLAT; else if(Find(tail,"status")) thisoutput->format = STATUS_FILE; else if(Find(tail,"colormask")) thisoutput->format = COLORMASK; else fprintf(stderr,"Warning, unknown file format %s\n" ,tail); } else if(Find(in_line,"outsave:")) { if(thisoutput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); thisoutput->save = TRUE; } else if(Find(in_line,"outoverwrite:")) { if(thisoutput == NULL) Error("Problem with $ARBHOME/GDEHELP/ARB_GDEmenus"); thisoutput->overwrite = TRUE; } } assert(num_menus>0); // if this fails, the file ARB_GDEmenus contained no menus (maybe file has zero size) return; } /* Find(): Search the target string for the given key */ int Find(const char *target,const char *key) { int i,j,len1,dif,flag = FALSE; dif = (strlen(target)) - (len1 = strlen(key)) +1; if(len1>0) for(j=0;j0) { for(j=0;joffset && isspace(input[end]); end--) ; for(j=0,i=offset;i<=end;i++,j++) { tail[j]=input[i]; } tail[j] = '\0'; return; } ./arbsrc_9167/ARB_GDE/GDE_proto.h0000644012664100000130000000511711440743001016213 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef GDE_PROTO_H #define GDE_PROTO_H /* define ARB attributes: */ #ifndef ATTRIBUTES_H # include #endif /* GDE_ParseMenu.cxx */ void ParseMenu(void); int Find(const char *target, const char *key); int Find2(const char *target, const char *key); void Error(const char *msg) __ATTR__NORETURN; void crop(char *input, char *head, char *tail); /* GDE.cxx */ char *GDE_makeawarname(GmenuItem *gmenuitem, long i); void GDE_load_menu(AW_window *awm, AW_active mask, const char *menulabel, const char *menuitemlabel); void create_gde_var(AW_root *aw_root, AW_default aw_def, char *(*get_sequences )(void *THIS, GBDATA **&the_species, uchar **&the_names, uchar **&the_sequences, long &numberspecies, long &maxalignlen ), gde_cgss_window_type wt, void *THIS); /* GDE_event.cxx */ void GDE_startaction_cb(AW_window *aw, GmenuItem *gmenuitem, AW_CL cd); /* GDE_arbdb_io.cxx */ void ReadArbdb_plain(char *filename, NA_Alignment *dataset, int type); int ReadArbdb2(NA_Alignment *dataset, AP_filter *filter, GapCompression compress, bool cutoff_stop_codon); int ReadArbdb(NA_Alignment *dataset, bool marked, AP_filter *filter, GapCompression compress, bool cutoff_stop_codon); int getelem(NA_Sequence *a, int b); void putelem(NA_Sequence *a, int b, NA_Base c); /* GDE_HGLfile.cxx */ void ReadGDE(char *filename, NA_Alignment *dataset, int type); int WriteGDE(NA_Alignment *aln, char *filename, int method, int maskable); void SeqNorm(NA_Sequence *seq); char *uniqueID(void); /* GDE_Genbank.cxx */ void ReadGen(char *filename, NA_Alignment *dataset, int type); int WriteGen(NA_Alignment *aln, char *filename, int method, int maskable); void SetTime(void *b); /* GDE_FileIO.cxx */ int MAX(int a, int b); int MIN(int a, int b); void Regroup(NA_Alignment *alignment); void ErrorOut5(int code, const char *string); char *Calloc(int count, int size); char *Realloc(char *block, int size); void Cfree(char *block); void LoadData(char *filen); void AppendNA(NA_Base *buffer, int len, NA_Sequence *seq); void Ascii2NA(char *buffer, int len, int matrix[16 ]); int WriteNA_Flat(NA_Alignment *aln, char *filename, int method, int maskable); void Warning(const char *s); void InitNASeq(NA_Sequence *seq, int type); void ReadCMask(const char *filename); int WriteStatus(NA_Alignment *aln, char *filename, int method); void ReadStatus(char *filename); void NormalizeOffset(NA_Alignment *aln); int WriteCMask(NA_Alignment *aln, char *filename, int method, int maskable); #else #error GDE_proto.h included twice #endif /* GDE_PROTO_H */ ./arbsrc_9167/ARB_GDE/Makefile0000644012664100000130000001504311440743001015657 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = GDE_ParseMenu.o GDE.o GDE_event.o \ GDE_arbdb_io.o GDE_HGLfile.o\ GDE_Genbank.o GDE_FileIO.o CPP_FILES=$(CPP_OBJECTS:.o=.cxx) $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) proto: GDE_proto.h GDE_proto.h: $(CPP_FILES) Makefile ../MAKEBIN/aisc_mkpt -G -A -E -w GDE_proto.h $(CPP_FILES) > GDE_proto.h.tmp ../SOURCE_TOOLS/mv_if_diff GDE_proto.h.tmp GDE_proto.h clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl GDE.o: gde.hxx GDE.o: GDE_awars.h GDE.o: GDE_def.h GDE.o: GDE_extglob.h GDE.o: GDE_menu.h GDE.o: GDE_proto.h GDE.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GDE.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE.o: $(ARBHOME)/INCLUDE/arbdb.h GDE.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE.o: $(ARBHOME)/INCLUDE/arbdbt.h GDE.o: $(ARBHOME)/INCLUDE/attributes.h GDE.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE.o: $(ARBHOME)/INCLUDE/awt.hxx GDE.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx GDE_arbdb_io.o: gde.hxx GDE_arbdb_io.o: GDE_def.h GDE_arbdb_io.o: GDE_extglob.h GDE_arbdb_io.o: GDE_menu.h GDE_arbdb_io.o: GDE_proto.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/arbdb.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/arbdbt.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/attributes.h GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_awars.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/AW_rename.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/awt.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx GDE_arbdb_io.o: $(ARBHOME)/INCLUDE/awt_tree.hxx GDE_event.o: gde.hxx GDE_event.o: GDE_awars.h GDE_event.o: GDE_def.h GDE_event.o: GDE_extglob.h GDE_event.o: GDE_menu.h GDE_event.o: GDE_proto.h GDE_event.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE_event.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE_event.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GDE_event.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE_event.o: $(ARBHOME)/INCLUDE/arbdb.h GDE_event.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE_event.o: $(ARBHOME)/INCLUDE/arbdbt.h GDE_event.o: $(ARBHOME)/INCLUDE/attributes.h GDE_event.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx GDE_event.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE_event.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE_event.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE_event.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE_event.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE_event.o: $(ARBHOME)/INCLUDE/awt.hxx GDE_event.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx GDE_event.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx GDE_event.o: $(ARBHOME)/INCLUDE/awt_tree.hxx GDE_FileIO.o: gde.hxx GDE_FileIO.o: GDE_def.h GDE_FileIO.o: GDE_extglob.h GDE_FileIO.o: GDE_menu.h GDE_FileIO.o: GDE_proto.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/arbdb.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/arbdbt.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/attributes.h GDE_FileIO.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE_FileIO.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE_FileIO.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE_FileIO.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE_FileIO.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE_FileIO.o: $(ARBHOME)/INCLUDE/awt.hxx GDE_Genbank.o: gde.hxx GDE_Genbank.o: GDE_def.h GDE_Genbank.o: GDE_extglob.h GDE_Genbank.o: GDE_menu.h GDE_Genbank.o: GDE_proto.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/arbdb.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/attributes.h GDE_Genbank.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE_Genbank.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE_Genbank.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE_Genbank.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE_Genbank.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE_Genbank.o: $(ARBHOME)/INCLUDE/awt.hxx GDE_HGLfile.o: gde.hxx GDE_HGLfile.o: GDE_def.h GDE_HGLfile.o: GDE_extglob.h GDE_HGLfile.o: GDE_menu.h GDE_HGLfile.o: GDE_proto.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/arbdb.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/attributes.h GDE_HGLfile.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE_HGLfile.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE_HGLfile.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE_HGLfile.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE_HGLfile.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE_HGLfile.o: $(ARBHOME)/INCLUDE/awt.hxx GDE_ParseMenu.o: gde.hxx GDE_ParseMenu.o: GDE_def.h GDE_ParseMenu.o: GDE_extglob.h GDE_ParseMenu.o: GDE_global.h GDE_ParseMenu.o: GDE_menu.h GDE_ParseMenu.o: GDE_proto.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/ad_prot.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/arb_assert.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/arbdb.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/arbdb_base.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/attributes.h GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/aw_device.hxx GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/aw_position.hxx GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/aw_root.hxx GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/aw_window.hxx GDE_ParseMenu.o: $(ARBHOME)/INCLUDE/awt.hxx ./arbsrc_9167/arb_install.sh0000755012664100000130000003440211440743001015765 0ustar arb_buildcoders#!/bin/bash # error message function err() { echo echo "********************************* ERROR ***********************" 1>&2 echo "`basename $0`: $@" 1>&2 echo "***************************** END OF ERROR ********************" 1>&2 echo "Please fix and then rerun script !!!" 1>&2 exit 1 } cont() { echo "Warning: $@" 1>&2 echo 'Do you want to continue [y]' read var case "$var" in n) err "Script aborted by user" ;; *) echo 'Continuing...' ;; esac } untar() { #remove old DEPOT BUG rm -f DEPOT/gde/bin if [ ! -r $cwd/$1 ]; then err "Cannot find or read file $cwd/$1" fi if gunzip --stdout $cwd/$1 | tar xfv -; then echo ">>> $1 uncompressed and untared" if [ ! -e bin/arb_ntree ]; then err "bin/arb_ntree not found" fi if [ ! -x bin/arb_ntree ]; then err "bin/arb_ntree not executable" fi else err "Error in uncompressing or untaring $1" fi } seperator() { echo '' echo ' *******************************************' } seperator echo 'Welcome to the ARB Package' seperator echo ' Note: - You may abort this script with ctrl-"C"' echo ' - You can rerun this script as often as you like' echo ' - Old ARB data will be kept if requested (in this case' echo ' you can simply change some options)' echo ' - Pressing will select the value in brackets' seperator echo 'Please answer some questions:' seperator echo 'Enter path where to install ARB ?' echo ' ARB is not a single program but a set of programs, datafiles ...' echo ' To install ARB correctly all files are stored in a single ' echo ' directory. This script creates such a directory and copies all' echo ' data into it, sets the correct permissions and optionally installs' echo ' some X11 stuff. Please enter the path of the directory where you want' echo ' to install ARB.' echo ' Notes: This script optionally creates the destination directory.' echo ' You should have write permission at the destination location.' echo ' - To install ARB in your home directory: Enter "'$HOME'/arb"' echo ' - Otherwise become root and rerun script.' echo ' - On Linux computers this script should be run under root' echo '' echo ' Example: If there is enough space (~50 MB) at your /usr partition and' echo ' you want to install arb at /usr/arb, enter "/usr/arb"' if [ "$ARBHOME" != "" ]; then if test -f $ARBHOME/lib/arb_tcp.dat; then echo " Note: I found an old arb program at $ARBHOME" fi fi echo "Enter full installation path: [${ARBHOME:-/usr/arb}]" read ARBHOMEI echo echo if [ "$ARBHOMEI" = "" ]; then ARBHOME="${ARBHOME:-/usr/arb}"; else ARBHOME="${ARBHOMEI}"; fi cwd=`pwd` if [ ! -f arb.tgz ]; then if [ -e arb.[36][24].*.tgz ]; then # link any arb.32.*.tgz or arb.64.*.tgz to arb.tgz ln -s arb.[36][24].*.tgz arb.tgz ls -al arb.tgz arb.[36][24].*.tgz if [ ! -L arb.tgz ]; then err "Failed to link any arb-tarball to arb.tgz (maybe there are multiple arb.32/64*.tgz in this directory)" fi else err "Expected arb.32.*.tgz or arb.64.*.tgz in current directory." fi else ls -al arb.tgz arb.[36][24].*.tgz fi if [ ! -f arb.tgz ]; then if [ -L arb.tgz ]; then rm arb.tgz err "arb.tgz does not link to a file - removed link" else err "arb.tgz is neighter file nor link - can't handle" fi fi if test -d $ARBHOME; then echo 'Creating backup copy of arb_tcp.dat ..' cp $ARBHOME/lib/arb_tcp.dat arb_tcp_`date +%Y%m%d`.dat if test -w $ARBHOME; then seperator echo 'The destination directory' echo " $ARBHOME" echo 'already exists!' echo ' You can delete the old directory before installing ARB' echo ' or only update/change options of the old version.' echo 'Delete old directory (y/n)[n]?' read delete_dir echo case "$delete_dir" in y) if rm -r $ARBHOME/* ;then echo ">>> all data in $ARBHOME deleted" else cont "cannot delete all data in $ARBHOME" fi;; *) if test -f $ARBHOME/lib/arb_tcp.dat; then bckup=$ARBHOME/lib/arb_tcp.dat.`date +%y%m%d%H%M%S` echo ">>>old $ARBHOME/lib/arb_tcp.dat found" echo ">>>backup to $bckup" cp $ARBHOME/lib/arb_tcp.dat $bckup fi echo ">>> old data not deleted";; esac else err "directory exists and is not writable"; fi else if mkdir -p $ARBHOME; then echo ">>> $ARBHOME created" else err "cannot create directory $ARBHOME"; fi fi cd $ARBHOME ARBHOME=`pwd` if test -d lib/pictures; then seperator echo "Old ARB package found (type n to change only some options)." echo " Do you want to update the old package: (y/n)[y]" read var; case "$var" in n) echo "Old version unchanged";; *) echo "updating ARB"; untar arb.tgz;; esac else untar arb.tgz; fi seperator echo 'Specify PT_SERVER files location' echo ' ARB needs a writeable directory to store the pt_server files. ' echo ' Those files are needed for fast database search' echo ' (by probe_design, probe_match and the automatic aligner)' echo ' and need a lot of disc space (up to several 100 mega bytes,' echo ' e.g. 4000 16S RNA sequences require about 40 MB).' echo ' This files are not created now. They can be build by any user via' echo ' ' echo ' You may define a special directory as the pt_server files location.' echo ' This prevents any loss of data installing a new version of ' echo ' ARB. ' echo 'Where do you want to put your pt_server data' echo ' 1. - (new installation of ARB)' echo ' for placing pt_server data within ARB directory tree' echo ' (Default location).' echo ' - (updating ARB)' echo ' using the previous location' echo ' 2. "Path" to link pt_server data directory to' echo " (if you choose this option you won't loose your PT-Servers when doing future software updates)" echo 'Enter path:' read pt_dir echo case "$pt_dir" in "") echo "installing the pt_server data in $ARBHOME/lib/pts" if test -h ${ARBHOME}/lib/pts ; then echo "Are you sure to delete " echo ">>> pt_server files at non default location:" ls -ld ${ARBHOME}/lib/pts else if test -d ${ARBHOME}/lib/pts; then echo ">>> pt_server files at default location: unchanged" else (cd lib;rm -f pts;mkdir pts;) fi fi;; *) echo "changing your pt_server file location" if test -h ${ARBHOME}/lib/pts; then echo ">>> non default location found: removing old link" rm lib/pts else if test -d ${ARBHOME}/lib/pts; then echo ">>> data in default location found" echo 'Do you want to remove old ptserver data (recommended)? [y]' read ANSWER case "$ANSWER" in n) echo 'data not deleted' ;; *) rm -r lib/pts echo 'data deleted' ;; esac fi fi if test ! -d $pt_dir; then echo ">>> Creating special PT_SERVER directory $pt_dir" if mkdir -p $pt_dir; then echo ">>> $pt_dir created" else err "Couldn't create $pt_dir" fi fi (cd lib;ln -s $pt_dir pts;) esac seperator echo 'Who is responsible for the PT_SERVER index files ?' echo ' Answer y: if you trust your users (less administration)' echo ' n: if YOU want to administrate all PT_SERVER files' echo ' or simply press return to keep the settings of an old installation.' echo 'Should everybody be allowed to build/update PT_SERVER files (y/n/dont_change)[dont_change]?' read var echo case "$var" in y) echo ">>> all users are allowed to update the PT_SERVER"; chmod 777 lib/pts chmod 666 lib/pts/* 2>/dev/null ;; n) echo ">>> only `whoami` is allowed to update the pt_server"; chmod 755 lib/pts chmod 644 lib/pts/* 2>/dev/null ;; *) echo ">>> flags unchanged";; esac seperator echo 'NameServer installation' echo ' The NameServer is a program, that synchronizes all species names' echo ' of the databases of different users.' echo ' Users that import foreign data into their database and want to' echo ' export those data to other ARB users should be allowed to change' echo ' the names file in $ARBHOME/lib/nas/names.dat' echo ' Answer y: if all users may import foreign databases' echo ' n: if there are some mean untrusty users' echo ' or simply press return to keep the old settings' echo 'Do you trust your users (y/n/dont_change)[dont_change]?' read var echo case "$var" in y) echo ">>> all user are allowed to change the names file"; chmod 777 lib/nas chmod 666 lib/nas/*;; n) echo ">>> only `whoami` is allowed to change the names file ${ARBHOME}/lib/nas/names.dat" chmod 755 lib/nas chmod 644 lib/nas/*;; *) echo ">>> flags unchanged";; esac seperator echo 'Networking' echo ' To speed up calculation one special host can be assigned as' echo ' the PT_SERVER host. That means that all database search is done' echo ' on that host. This saves computer resources as different users' echo ' may share one server.' echo ' To get the best results this host "H" should:' echo ' 1. be fast,' echo ' 2. have a lot of real memory (>=64 meg),' echo ' 3. have a lot of swap space (>=400 meg),' echo ' 4. allow all users to run "ssh H ...",' echo ' 5. contain the discs with the PT_SERVER files.' echo ' n You want to assign a special Network host' echo ' s You have a Stand alone computer' if test "X$bckup" != "X"; then echo ' o Use information of already installed ARB' echo 'Choose (s/n/o)[s]?' else echo 'Choose (s/n)[s]?' fi read var echo case "$var" in o) mv $bckup lib/arb_tcp.dat; echo ">>> old lib/arb_tcp.dat restored";; n) seperator echo "Enter the name of your host for the pt_server" read host echo "Checking connection to $host" if ssh $host ls >/dev/zero; then echo ">>> ssh $host ok" else err ">>> cannot run 'ssh $host'"; fi rm -f lib/arb_tcp.dat; cat lib/arb_tcp_org.dat |sed -e "/localhost\:/$host\:/g" >lib/arb_tcp.dat echo ">>> server installed";; *) cp lib/arb_tcp_org.dat lib/arb_tcp.dat echo ">>> server installed";; esac seperator echo ">>> Installation Complete" seperator SHELL_ANS=0 while [ "$SHELL_ANS" = "0" ]; do echo "Finally, you have to tell your system where to find arb." echo "First find out which shell you are using, by opening a new terminal window and typing" echo ' echo $SHELL' echo "" echo "Depending on what is your shell there are three choices:" echo "" echo " 1. Change your local .profile or .bashrc (if you are using ksh/bash, which" echo " is the default shell for Linux)" echo " 2. Change your local .cshrc file (if you are using csh/tcsh)" echo " 3. Create an alias for arb (any shell)" echo "" echo "Enter (1,2 or 3) to achieve further installation instructions:" read var echo ''; echo '**********************************************************************************************'; echo 'Follow the steps below with care!!!'; echo ''; case "$var" in 1) echo '******************************************************'; echo "add the following lines to your ~/.profile"; echo "or to your ~/.bashrc for bash-users"; echo '******************************************************'; echo " ARBHOME=$ARBHOME;export ARBHOME"; echo ' LD_LIBRARY_PATH=${ARBHOME}/lib:${LD_LIBRARY_PATH}'; echo ' export LD_LIBRARY_PATH'; echo ' PATH=${ARBHOME}/bin:${PATH}'; echo ' export PATH'; echo ' ' echo 'enter the following command:'; echo ' . ~/.profile' SHELL_ANS=1 ;; 2) echo '******************************************'; echo "add the following lines to your ~/.cshrc"; echo '******************************************'; echo " setenv ARBHOME $ARBHOME"; if test "X${LD_LIBRARY_PATH}" != "X"; then echo ' setenv LD_LIBRARY_PATH $ARBHOME/lib\:$LD_LIBRARY_PATH'; else echo ' setenv LD_LIBRARY_PATH $ARBHOME/lib'; fi echo ' setenv PATH $ARBHOME/bin\:$PATH'; echo ' ' echo 'enter the following command:'; echo ' source ~/.cshrc' SHELL_ANS=1 ;; 3) echo '**************************************************'; echo "add one of the following lines to your init file"; echo '**************************************************'; echo "# bash users add to ~/.bashrc:"; echo " alias arb=$ARBHOME/bin/arb"; echo "# tcsh users add to ~/.cshrc:"; echo " alias arb '$ARBHOME/bin/arb'"; SHELL_ANS=1 ;; *) echo 'Wrong answer';; esac done echo "" echo "Note for sysadmins:" echo " In order to provide arb for all users," echo " edit the global shell init file(s) in /etc" echo " (/etc/bash.bashrc, /etc/csh.cshrc or similar)" echo " in the same manner as described above for the" echo " local shell init files." echo "" echo "Please read the files" echo " $ARBHOME/arb_INSTALL.txt" echo " $ARBHOME/arb_UBUNTU.txt (if you're using ubuntu)" echo "about additional libraries and tools needed by ARB." echo "" echo "When you installed everything and performed the changes to your init file," echo "open a new terminal window and start arb by typing" echo "" echo " arb" echo "" echo "Have much fun using ARB" echo "ARB Team " echo "" unset host unset cwd unset ARBHOME unset delete_dir unset keep_debug unset pt_dir unset var ./arbsrc_9167/arb_INSTALL.txt0000644012664100000130000000707611656765615015666 0ustar arb_buildcoders================================================================================ To install a precompiled ARB ================================================================================ 1. download the needed files from our homepage http://www.arb-home.de/ and save them into a directory of your choice (i.e. ~/arb-install/ ) Files needed: 'arb.*.tgz' and 'arb_install.sh' (see arb_README.txt for details on different versions) 2. get root 3. run arb_install.sh and follow the instructions 4. Install packages needed by ARB: -------------------------------------------------------------------------------- 4a. If you're using Ubuntu please refer to: * the detailed list of packets to install for ARB: arb_UBUNTU.txt * the package-install-script for ubuntu: SH/arb_installubuntu4arb.sh -------------------------------------------------------------------------------- 4b. Otherwise use your package manager to install the software that is needed to run ARB: - (open)motif - bash - libpng - xterm Only needed for Open GL version: - OPENGL - libGLEW -- Open GL extensions library (see subdirectory lib/addlibs) Software that is useful together with ARB: - gnuplot - ghostview (gv) - xfig (+ fig2dev to print from xfig) - perl5 - treetool -------------------------------------------------------------------------------- Libraries needed to run 32-bit ARB on 64-bit machine: (checked on OpenSuSE 10.2) - openmotif-libs-32bit -------------------------------------------------------------------------------- If you get errors about missing libraries when calling arb, have a look if there are different versions of the missing libraries in /usr/lib and create a link there. Most likely you'll be missing libXm.so.4, so the following example describes how to solve the problem for that library: # as superuser: cd /usr/lib ln -s libXm.so.4 libXm.so.3 ================================================================================ To build ARB from source ================================================================================ 1. download the needed files from our homepage http://www.arb-home.de/ and save them into a directory of your choice (i.e. ~/arb-build/ ) Files needed: 'arbsrc*.tgz' 2. Unpack the source e.g. tar -zxvf arbsrc.tgz 3. Goto source dir e.g. cd arbsrc_6213 4. Set up compile environment if you're using bash: export ARBHOME=`pwd` export PATH=$ARBHOME/bin:$PATH export LD_LIBRARY_PATH=$ARBHOME/LIBLINK:$LD_LIBRARY_PATH 5. Now either a. run make all arb to run arb in compilation directory or a. run make tarfile ./arb_install.sh to install arb for all users and follow the instructions there (if any). Additional software that is needed to compile ARB: -------------------------------------------------- - expat, xmllint, sablotron 0.82-1.0 [needed for target 'help' only] - openmotif, openmotif-devel - xaw??? - libtiff-devel - java 1.3.1 or above [needed for arb_probe_library only] - lynx Additional software that is needed to compile open gl parts: ------------------------------------------------------------ - mesa - mesa-devel - mesaglw (opensuse) - mesaglw-devel (opensuse) - libpng - libglew - freeglut - freeglut-devel ---------------------------------------------------------------------- If we forgot something (or if your OS needs something special) please notify us (devel@arb-home.de). We will mention it here.. ---------------------------------------------------------------------- ./arbsrc_9167/arb_LICENSE.txt0000644012664100000130000002504611656765615015637 0ustar arb_buildcodersCopyrights ARB copyright and license information COPYRIGHTS The ARB software and documentation are not in the public domain. External programs distributed together with ARB are copyrighted by and are the property of their respective authors unless otherwise stated. All other copyrights are owned by Lehrstuhl fuer Mikrobiologie, TU Muenchen. USAGE LICENSE You have the right to use this version of ARB for free. Please read as well the attached copyright notices below whether you may or may not install this package. Since many of the included programs is free software and nobody is allowed to sell that software you may safely assume ARB will never become a commercial product. REDISTRIBUTION LICENSE This release of the ARB program and documentation may not be sold or incorporated into a commercial product, in whole or in part, without the expressed written consent of the Technical University of Munich and of its supervisors Ralf Westram or Wolfgang Ludwig. All interested parties may redistribute and modify ARB as long as all copies are accompanied by this license information and all copyright notices remain intact. Parties redistributing ARB must do so on a non-profit basis, charging only for cost of media or distribution. If you modify parts of ARB and redistribute these changes the 'Lehrstuhl fuer Mikrobiologie' of the TU Muenchen gains the right to incorporate these changes into ARB and to redistribute them with future versions of ARB. DEBIAN DISTRIBUTION Hereby anybody is granted the right to build debian-pakets of the ARB software package (http:://www.arb-home.de/) and publish them on debian mirrors (or any other way of debian-distribution). This includes any debian derivates like ubuntu. The ARB developers may (but most likely wont ever) revoke this granting. If really done so, it'll only affect ARB versions released after such a revocation. DISCLAIMER THE TU MUENCHEN AND THE VARIOUS AUTHORS OF ARB GIVE NO WARRANTIES, EXPRESSED OR IMPLIED FOR THE SOFTWARE AND DOCUMENTATION PROVIDED, INCLUDING, BUT NOT LIMITED TO WARRANTY OF MERCHANTABILITY AND WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE. User understands the software is a research tool for which no warranties as to capabilities or accuracy are made, and user accepts the software "as is." User assumes the entire risk as to the results and performance of the software and documentation. The above parties cannot be held liable for any direct, indirect, consequential or incidental damages with respect to any claim by user or any third party on account of, or arising from the use of software and associated materials. This disclaimer covers both the ARB core applications and all external programs used by ARB. Copyright notices for programs distributes together with ARB GDE The Genetic Data Environment (GDE) software and documentation are not in the public domain. Portions of this code are owned and copyrighted by the The Board of Trustees of the University of Illinois and by Steven Smith. External functions used by GDE are the property of their authors. This release of the GDE program and documentation may not be sold, or incorporated into a commercial product, in whole or in part without the expressed written consent of the University of Illinois and of its author, Steven Smith. All interested parties may redistribute the GDE as long as all copies are accompanied by this documentation, and all copyright notices remain intact. Parties interested in redistribution must do so on a non-profit basis, charging only for cost of media. Modifications to the GDE core editor should be forwarded to the author Steven Smith. External programs used by the GDE are copyrighted by, and are the property of their respective authors unless otherwise stated. PHYLIP (c) Copyright 1986-1993 by Joseph Felsenstein and the University of Washington. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed. LSADT LEAST SQUARES ALGORITHM FOR FITTING ADDITIVE TREES TO PROXIMITY DATA GEERT DE SOETE -- VERSION 1.01 - FEB. 1983 VERSION 1.02 - JUNE 1983 VERSION 1.03 - JULY 1983 - ´C´ version by Michael Macuikenas, University of Illinois REFERENCE: DE SOETE, G. A LEAST SQUARES ALGORITHM FOR FITTING ADDITIVE TREES TO PROXIMITY DATA. PSYCHOMETRIKA, 1983, 48, 621-626. DE SOETE, G. ADDITIVE TREE REPRESENTATIONS OF INCOMPLETE DISSIMILARITY DATA. QUALITY AND QUANTITY, 1984, 18, 387-393. - REMARKS ------ 1) THE PROGRAM USES SUBROUTINES FROM THE PORT LIBRARY FOR ERROR HANDLING, DYNAMIC STORAGE ALLOCATION AND SPECIFICA- TION OF MACHINE-DEPENDENT CONSTANTS. CF. FOX, P.A., HALL, A.D., & SCHRYER, N.L. THE PORT MATHEMATICAL SUBROUTINE LIBRAY. ACM TRANS. ON MATH. SOFTW., 1978, 4, 104-126. ALGORITHM 528. FRAMEWORK FOR A PORTABLE LIBRARY. ACM TRANS. ON MATH. SOFTW., 1978, 4, 177-188. 2) UNIFORMLY DISTRIBUTED RANDOM NUMBERS ARE GENERATED BY A PROCEDURE DUE TO SCHRAGE. CF. SCHRAGE, L. A MORE PORTABLE FORTRAN RANDOM NUMBER GENERATOR. ACM TRANS. ON MATH. SOFTW., 1979, 5, 132-138. 3) SUBROUTINES VA14AD AND VA14AC ARE ADAPTED FROM THE HARWELL SUBROUTINE LIBRARY (1979 EDITION). 4) ALTHOUGH THIS PROGRAM HAS BEEN CAREFULLY TESTED, THE AUTHOR DISCLAIMS ANY RESPONSABILITY FOR POSSIBLE ERRORS. BLAST /* =========================================================================== * * PUBLIC DOMAIN NOTICE * National Center for Biotechnology Information * * This software/database is a "United States Government Work" under the * terms of the United States Copyright Act. It was written as part of * the author´s official duties as a United States Government employee and * thus cannot be copyrighted. This software/database is freely available * to the public for use. The National Library of Medicine and the U.S. * Government have not placed any restriction on its use or reproduction. * * Although all reasonable efforts have been taken to ensure the accuracy * and reliability of the software and data, the NLM and the U.S. * Government do not and cannot warrant the performance or results that * may be obtained by using this software or data. The NLM and the U.S. * Government disclaim all warranties, express or implied, including * warranties of performance, merchantability or fitness for any particular * purpose. * * Please cite the author in any work or product based on this material. * * ===========================================================================*/ Warren Gish NCBI/NLM CONVERT_ALN convert_aln -- an alignment(or sequence) converter written by Wen-Min Kuan for the Ribosomal Database Project(RDP), April 28, 1992. fastdnaml fastDNAml, a program for estimation of phylogenetic trees from sequences. Copyright (C) 1998, 1999, 2000 by Gary J. Olsen This program is free software; you may redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. For any other enquiries write to Gary J. Olsen, Department of Microbiology, University of Illinois, Urbana, IL 61801, USA Or send E-mail to gary@phylo.life.uiuc.edu fastDNAml is based in part on the program dnaml by Joseph Felsenstein. Copyright notice from dnaml: version 3.3. (c) Copyright 1986, 1990 by the University of Washington and Joseph Felsenstein. Written by Joseph Felsenstein. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. When publishing work that based on results from fastDNAml please cite: Felsenstein, J. 1981. Evolutionary trees from DNA sequences: A maximum likelihood approach. J. Mol. Evol. 17: 368-376. and Olsen, G. J., Matsuda, H., Hagstrom, R., and Overbeek, R. 1994. fastDNAml: A tool for construction of phylogenetic trees of DNA sequences using maximum likelihood. Comput. Appl. Biosci. 10: 41-48. treepuzzle treepuzzle is published under the GPL (GNU GENERAL PUBLIC LICENSE) which is provided in 'lib/GPL.txt'. readseq ReadSeq -- 1 Feb 93 Reads and writes nucleic/protein sequences in various formats. Data files may have multiple sequences. Copyright 1990 by d.g.gilbert biology dept., indiana university, bloomington, in 47405 e-mail: gilbertd@bio.indiana.edu This program may be freely copied and used by anyone. Developers are encourged to incorporate parts in their programs, rather than devise their own private sequence format. This should compile and run with any ANSI C compiler. Please advise me of any bugs, additions or corrections. ./arbsrc_9167/arb_OS_X_MacPorts.txt0000644012664100000130000000056211440721071017144 0ustar arb_buildcodersProvided by: Matt Cottrell revised Sept 30, 2009 ARB is most easly installed on Mac OS X using MacPorts ------------------------------------------------------ Go to www.macports.org and follow the instructions to set up MacPorts. Then open a terminal window and type: sudo port install arb MacPorts will download and compile ARB and all the necessary dependencies. ./arbsrc_9167/arb_OS_X.txt0000644012664100000130000001304711440721071015336 0ustar arb_buildcodersProvided by: Matt Cottrell revised Sept 30, 2009 If you are looking for an easy way to install ARB on OS X, then see the instructions in the file ARB_OS_X_MacPorts.txt. There you will find instructions for installing ARB, including all of the necesary dependencies using MacPorts the easy way. Continue with the steps below only if you want to build ARB and its dependencies by hand the hard way. ______________________________________________________________________________________________________ Building 64-bit ARB on Mac OS X (Snow Leopard 10.6) Warning - installing the 64-bit version of ARB will break ARB installed by Fink! The cshrc shell is indicated by the % prompt. Downloads are placed on the Desktop and final installation will be in /usr/local/arb ------------------------------------------------------------------------------------ - If ARB was previously installed using Fink you must first remove ARB and then skip to step (XQuartz). % fink remove arb - If arb is not installed by fink start by installing the Developer Tools from the Leopard disc. Use the Mac OS X Snow Leopard DVD to install the developer tools - Install Fink Get it from (http://www.finkproject.org/) These instructions assume that you installed the source distribution. - Install sed, lynx and dos2unix using Fink %fink install sed lynx dos2unix xmkmf libsablot %sudo ln -s /sw/lib/xmkmf/bin/xmkmf /usr/X11/bin/xmkmf Note: The BSD flavor of sed provided with OS X will not work with ARB. You need the GNU sed provided by Fink. There are other ways to install GNU sed, lynx and dos2unix, but using Fink is probably the easiest. - Install the latest version of XQuartz Get it from (http://xquartz.macosforge.org/trac/wiki/Releases) Use the downloaded X11-*.*.*.dmg to install. - Download and install Open Motif from the IST web site Get it from (http://www.ist-inc.com/DOWNLOADS/motif_download.html) Download the version for Mac OS X 10.5 Universal (Leopard) Use the downloaded openmotif-compat-2.1.32_IST.macosx10.5.dmg to install - Download and install freeglut Get it from (http://freeglut.sourceforge.net/) % cd freeglut-2.4.0 % env CC=gcc\ -arch\ x86_64 LDFLAGS=-L/Developer/SDKs/MacOSX10.5.sdk/usr/X11/lib/ CPPFLAGS=-I/Developer/SDKs/MacOSX10.5.sdk/usr/X11/include/ ./configure --disable-warnings % make % sudo make install - Download the OpenGL Extension Wrangler Library (GLEW) Get it from (http://glew.sourceforge.net/install.html) % cd glew % dos2unix Makefile % dos2unix config/config.guess % chmod a+x config/config.guess % env LD=-arch\ x86_64 CFLAGS.EXTRA=-arch\ x86_64 make % sudo env GLEW_DEST=/usr/local make install - Build and install 64-bit libGLw provided by mesa Get it from (http://www.mesa3d.org/) Click on the Source Forge link and and then download MesaLib % cd Mesa-7.2 % env CFLAGS=-arch\ x86_64 CXXFLAGS=-arch\ x86_64 CPPFLAGS=-I/usr/OpenMotif/include/ LDFLAGS=-L/usr/OpenMotif/lib ./configure --enable-motif % make % sudo make install % cd src/glw % make % sudo make install - Build and install 64-bit tiff (v3.8.2) Get it from (http://dl.maptools.org/dl/libtiff/) % cd tiff-3.8.2 % env CFLAGS=-arch\ x86_64 CXXFLAGS=-arch\ x86_64 ./configure % make % sudo make install - Download the latest ARB build % mkdir ARB % cd ARB In your browser get arb from http://download.arb-home.de/release/latest/ % tar xzvf arbsrc.tgz or check out from svn % svn co --username coder --password gimmeARBsource http://svn.mikro.biologie.tu-muenchen.de/svn/branches/stable_5.0 ARB Create and edit config.makefile like this: % cp config.makefile.template config.makefile Change these lines in config.makefile From: ARB_64 := 0# compile 64bit ARB version (still very buggy!) To: ARB_64 := 1# compile 64bit ARB version (still very buggy!) From: MACH := LINUX# Linux g++ and gcc To: #MACH := LINUX# Linux g++ and gcc From: LINUX := 1 To: #LINUX := 1 From: #MACH := DARWIN# To: MACH := DARWIN# From: #DARWIN := 1 To: DARWIN := 1 Prepare by setting the ARBHOME and PATH environment variables % env ARBHOME=/Users//Desktop/ARB % env PATH=$PATH:/Users//Desktop/ARB Build ARB % make all After the compiler is finished you will be prompted to start ARB by typing "arb". Give it a try now, but then quit ARB and continue the installation steps below. - Install arb to /usr/local/arb % sudo mkdir -p /usr/local/arb % sudo cp -R bin /usr/local/arb % sudo cp -R lib /usr/local/arb % sudo cp -R GDEHELP /usr/local/arb % sudo cp -R PERL_SCRIPTS /usr/local/arb % sudo cp -R HELP_SOURCE/oldhelp/ /usr/local/arb/lib/help % sudo cp demo.arb /usr/local/arb % sudo cp -r SH /usr/local/arb - Fix the permissions on the pt_server directory % sudo chmod a+w /usr/local/arb/lib/pts - Edit your .cshrc file Add these lines setenv ARBHOME /usr/local/bin setenv PATH $PATH:/usr/local/bin - Update the loaded environment variables and path % source ~/.cshrc % rehash - Start ARB % arb end ./arbsrc_9167/arb_README.txt0000644012664100000130000001367712050705371015477 0ustar arb_buildcoders Welcome to the 'ARB' Sequence Database Tools System Requirements ------------------- ARB is currently developed on Linux PCs only. Compiling ARB using the gcc compiler (3.x and 4.x series) as well works on Mac OSX and Sun OS - but we do not publish or support these versions. Hardware Requirements (Linux): Good We use Real memory : 1 Gb 4 Gb Free discspace : 1 Gb more Computer speed : 2 GHz Cpu 2 GHz Dual Cpu Note : Memory is more important than a fast processor! Files needed to install ARB --------------------------- File 'arb_install.sh' // install script 'arb.*.tgz' // ARB program Available ARB versions: 'arb.32.*.tgz' // 32 bit versions 'arb.64.*.tgz' // 64 bit versions 'arb.*.OPENGL.tgz' // OPENGL version (contains RNA3D, a 3D-molecule-viewer) Choose a 32-bit-version, if your system is 32-bit, choose a 64-bit-version, if your system is 64-bit. You need only ONE of the available 'arb.*.tgz'! Install/Update ARB ------------------ ARB consists of more than 1200 files which are installed into a single directory. Creating this directory, copying all data into it, and setting the permissions correctly is done by the installation script 'arb_install.sh' Goto the directory, where the files 'arb_install.sh' // install script 'arb_README.txt' // this file 'arb.*.tgz' // your chosen ARB version are located and type '/bin/sh arb_install.sh' Answer all questions asked by the script. Notes:- The script will ask about a pt_server directory. This is a directory where arb will store big index files. You should enter a different path as you do not want to recreate those files after an ARB update. - Normally pressing enter will be a good choice. - You can rerun the script many times, it can be used to change an existing installation. Change your .cshrc/.profile files: Set the environment variable ARBHOME to the ARB installation directory Append $ARBHOME/bin to your PATH reread it, (logout+login ) goto a directory with a demo database 'eg demo.arb' and start 'ARB' with 'arb' Additional information ---------------------- * See arb_INSTALL.txt for additional software needed and/or useful together with ARB. PT_server --------- To Install 'ARB' you have to know that some modules use a so called 'pt_server' (prefix tree server). ARB needs a writeable directory to store the pt_server files. Those files are needed for fast database search (by probe_design, probe_match and the automatic aligner) and need a lot of disc space (up to several 100 mega bytes, e.g. 4000 16S RNA sequences require about 40 MB). This files are not created now. They can be build by any user via You may define a special directory as the pt_server files location. This prevents any loss of data installing a new version of ARB. To minimize the use of ressources in a workstation cluster only one pt_server for each database is started on a user defined host. The first user starts the pt_server, and all other users can connect to it. What you should know: Swap -------------------------- Arb needs a lot of virtual memory (about 50 Mbyte for 5000 Sequences, Length = 3000). You can find out about installed swap space by typing: Linux 'top' SunOS 1.x: 'pstat -s' System V / SGI 'swap -s' OSF 'swapon -sv' Call your system administrator or local guru to increase your swap. (If you don't have such a nice person, try to read the man pages: 'man -k swap') The Database ------------ In the current release a small dataset (demo.arb) is provided. This database contains a selection of artificial and real-life sequences. The intention of providing this small dataset first is to give you the opportunity to get familiar with the program and to test the performance of your computer system as well as the stability of ARB on your system. Bugs ---- ARB is running properly and stably on our systems. However, it may be that there are bugs never detected by us or never appearing on our systems. Please don't hesitate to inform us about any bugs. A detailed description of the steps performed before the problem was evident and of the number and types of modules running at the same time would be extremely helpful to our computer scientists. Please report bugs into our bug tracker at http://bugs.arb-home.de/ Support ------- Please send any comments, bug reports or questions to arb@arb-home.de Copyright Notice ---------------- Please see the file arb_LICENSE.txt in the ARB installation directory. Disclaimer ---------- THE AUTHORS OF ARB GIVE NO WARRANTIES, EXPRESSED OR IMPLIED FOR THE SOFTWARE AND DOCUMENTATION PROVIDED, INCLUDING, BUT NOT LIMITED TO WARRANTY OF MERCHANTABILITY AND WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE. Have fun! ./arbsrc_9167/arbsrc_README_gcc.txt0000644012664100000130000000257711440743001017012 0ustar arb_buildcoders Update: Support for gcc < 3.2 has been dropped. The instructions below work with all version when adapted appropriately. ********************* ARB will compile with several versions of gcc. Compilation was tested with gcc 2.95.3 and gcc versions higher or equal to gcc 3.3.3 (for most up-to-date details see the main Makefile). If you encounter problems compiling ARB (e.g. if Makefile reports a version as not supported or compilation simply does not work) you may want to install a different version of gcc. Here a short howto (using gcc.2.95.3 as example): - download (i.e.) - ftp://ftp.leo.org/pub/comp/os/unix/gnu/gcc/gcc-2.95.3/gcc-core-2.95.3.tar.gz (8.5 Mb) - ftp://ftp.leo.org/pub/comp/os/unix/gnu/gcc/gcc-2.95.3/gcc-g++-2.95.3.tar.gz (1.5 Mb) or - http://gd.tuwien.ac.at/gnu/sourceware/gcc/releases/gcc-2.95.3/gcc-core-2.95.3.tar.gz - http://gd.tuwien.ac.at/gnu/sourceware/gcc/releases/gcc-2.95.3/gcc-g++-2.95.3.tar.gz - unpack into directory 'your-gcc-source' - create directory 'your-gcc-objects' - configure gcc: cd your-gcc-objects ../your-gcc-source/configure --prefix=/opt/gcc-2.95 [If you'd like to see english error messages use '--disable-nls' ] - build gcc: make bootstrap su make install - prefix /opt/gcc-2.95/bin to your PATH environment variable. - compile ARB ./arbsrc_9167/arbsrc_README.txt0000644012664100000130000000032211440721071016163 0ustar arb_buildcoders Textfiles in $(ARBHOME) are separated into 2 groups: - arb_*.txt textfiles distributes with binary ARB version - arbsrc_*.txt textfiles for ARB source only ./arbsrc_9167/arb_UBUNTU.txt0000644012664100000130000000235511656765615015575 0ustar arb_buildcoders ARB requirements on Ubuntu 10.04 -------------------------------- [Note:] You may use the provided install script, e.g. sudo SH/arb_installubuntu4arb.sh 1) Package dependencies for running precompiled ARB 1a) Non OPENGL version - gnuplot - gv - libmotif3 - xfig - transfig - xterm 1b) OPENGL version - packets mentioned under 1a) - libpng12-0 2) Package dependencies for compiling ARB 2a) Non OPENGL version - packets mentioned under 1a) - g++ - libmotif-dev - libtiff4-dev - libx11-dev - libxaw7-dev - libxext-dev - libxml2-utils - libxpm-dev - libxt-dev - lynx - x11proto-print-dev - xsltproc - xutils-dev 2b) OPENGL version Add the following repository to your packet manager: deb http://dev.mikro.biologie.tu-muenchen.de/debian hardy non-free (replace 'hardy' with your ubuntu distribution; see http://dev.mikro.biologie.tu-muenchen.de/debian/dists/ for available distributions) Install the following packets: - libglw-mesa-arb - packets mentioned under 1b) - packets mentioned under 2a) - freeglut3-dev - libglew1.5-dev - libpng12-dev ./arbsrc_9167/AWT/AWT_advice.cxx0000644012664100000130000001524211440742777016305 0ustar arb_buildcoders// ==================================================================== // // // // File : awt_advice.cpp // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include "awt_advice.hxx" #include "awt.hxx" using namespace std; #define AWAR_ADVICE_TMP "/tmp/advices/" #define AWAR_ADVICE_TEXT AWAR_ADVICE_TMP "text" #define AWAR_ADVICE_UNDERSTOOD AWAR_ADVICE_TMP "understood" #define AWAR_ADVICE_DISABLED "/advices/disabled" // ------------------------- // internal data : // ------------------------- static bool initialized = false; static AW_root *advice_root = 0; static AW_default advice_props = 0; // -------------------------------------------------------- void init_Advisor(AW_root *awr, AW_default def) { awt_assert(!initialized); // can't init twice advice_root = awr; advice_props = def; advice_root->awar_string(AWAR_ADVICE_TEXT, "", advice_props); advice_root->awar_int(AWAR_ADVICE_UNDERSTOOD, 0, advice_props); initialized = true; } // ---------------------------- // disabled advices : // ---------------------------- static AW_awar *get_disabled_advices() { return advice_root->awar_string(AWAR_ADVICE_DISABLED, "", advice_props); } static bool advice_disabled(const char* id, AW_awar *var = 0) { if (!var) var = get_disabled_advices(); char *disabled_list = var->read_string(); bool is_disabled = strstr(disabled_list, GBS_global_string(";%s;", id)) != 0; free(disabled_list); return is_disabled; } static void disable_advice(const char* id) { AW_awar *var = get_disabled_advices(); if (!advice_disabled(id, var)) { char *disabled_list = var->read_string(); if (strlen(disabled_list)) var->write_string(GBS_global_string("%s%s;", disabled_list, id)); else var->write_string(GBS_global_string(";%s;", id)); free(disabled_list); } } // ------------------------------------------- static void advice_close_cb(AW_window *aww, AW_CL cl_id, AW_CL type) { int understood = advice_root->awar(AWAR_ADVICE_UNDERSTOOD)->read_int(); // switch to 'not understood'. Has to be checked by user for each advice. advice_root->awar(AWAR_ADVICE_UNDERSTOOD)->write_int(0); aww->hide(); if (understood) { const char *id = (const char *)cl_id; disable_advice(id); if (type & AWT_ADVICE_TOGGLE) { static bool in_advice = false; if (!in_advice) { in_advice = true; AWT_advice("You have disabled an advice.\n" "In order to disable it PERMANENTLY, save properties.", AWT_ADVICE_TOGGLE); in_advice = false; } } } } static void advice_hide_and_close_cb(AW_window *aww, AW_CL cl_id, AW_CL type) { advice_root->awar(AWAR_ADVICE_UNDERSTOOD)->write_int(1); advice_close_cb(aww, cl_id, type); } // ------------------------------------------- void AWT_reactivate_all_advices() { AW_awar *awar_disabled = get_disabled_advices(); char *disabled = awar_disabled->read_string(); char *nosemi = GBS_string_eval(disabled, ";=", NULL); int entries = strlen(disabled)-strlen(nosemi); if (entries>0) { awt_assert(entries>1); entries--; aw_message(GBS_global_string("Enabled %i advices", entries)); } else { aw_message("No advices were disabled yet."); } free(nosemi); free(disabled); awar_disabled->write_string(""); } void AWT_advice(const char *message, int type, const char *title, const char *corresponding_help) { awt_assert(initialized); size_t message_len = strlen(message); awt_assert(message_len>0); long crc32 = GB_checksum(message, message_len, true, " .,-!"); // checksum is used to test if advice was shown char *advice_id = GBS_global_string_copy("%lx", crc32); // do not delete (bound to cbs) bool show_advice = !advice_disabled(advice_id); if (show_advice) { AW_awar *understood = advice_root->awar(AWAR_ADVICE_UNDERSTOOD); understood->write_int(0); if (corresponding_help) type = AWT_Advice_Type(type|AWT_ADVICE_HELP); #if defined(ASSERTION_USED) else awt_assert((type & AWT_ADVICE_HELP) == 0); #endif // ASSERTION_USED AW_window_simple *aws = new AW_window_simple; // do not delete (ARB will crash) -- maybe reuse window for all advices? if (!title) title = "Please read carefully"; aws->init(advice_root, "advice", GBS_global_string("ARB: %s", title)); aws->load_xfig("awt/advice.fig"); bool has_help = type & AWT_ADVICE_HELP; bool help_pops_up = false; if (has_help) { aws->callback( AW_POPUP_HELP,(AW_CL)corresponding_help); aws->at("help"); aws->create_button(0, "HELP","H"); if (type & AWT_ADVICE_HELP_POPUP) help_pops_up = true; } aws->at("advice"); aws->create_text_field(AWAR_ADVICE_TEXT); advice_root->awar(AWAR_ADVICE_TEXT) ->write_string(has_help && !help_pops_up ? GBS_global_string("%s\n\nPlease refer to 'HELP' for more info.", message) : message); if (help_pops_up) AW_POPUP_HELP(aws, (AW_CL)corresponding_help); if (type & AWT_ADVICE_TOGGLE) { aws->label("Do not advice me again"); aws->at("understood"); aws->create_toggle(AWAR_ADVICE_UNDERSTOOD); } aws->at("ok"); if (type & AWT_ADVICE_TOGGLE) { aws->callback(advice_close_cb, (AW_CL)advice_id, type); aws->create_button(0, "OK", "O"); } else { aws->callback(advice_hide_and_close_cb, (AW_CL)advice_id, type); aws->create_autosize_button(0, "I understand", "O", 2); } aws->window_fit(); aws->show(); } } ./arbsrc_9167/AWT/awt_advice.hxx0000644012664100000130000000423111440742777016446 0ustar arb_buildcoders// ==================================================================== // // // // File : awt_advice.hxx // // Purpose : general user advices // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef AWT_ADVICE_HXX #define AWT_ADVICE_HXX class AW_root; #ifndef AW_ROOT_HXX #include #endif /// define type of @ref AWT_advice by or-ing values enum AWT_Advice_Type { AWT_ADVICE_SIMPLE = 0, // nothing of the following AWT_ADVICE_TOGGLE = 1, // visible toggle to switch off advice (otherwise advice appears only once) AWT_ADVICE_HELP = 2, // advice has corresponding help file AWT_ADVICE_HELP_POPUP = 4, // this helpfile should popup immidiately } ; /// has to be called one time (before calling AWT_advice) void init_Advisor(AW_root *awr, AW_default def); /** @brief Show a message box with an advice for the user @param message the text shown to the user @param title window title @param type type of advice @param corresponding_help name of corresponding ARB-helpfile @see init_Advisor */ void AWT_advice(const char *message, int type = AWT_ADVICE_SIMPLE, const char *title = 0, const char *corresponding_help = 0); /// reactivates all advices which were disabled by the user void AWT_reactivate_all_advices(); #else #error awt_advice.hxx included twice #endif // AWT_ADVICE_HXX ./arbsrc_9167/AWT/AWT_asciiprint.cxx0000644012664100000130000003526411440742777017225 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include "awt.hxx" #include "awt_asciiprint.hxx" double awt_aps_get_xy_ratio(AW_root *awr){ AWT_asciiprint_paper_size psize = (AWT_asciiprint_paper_size)awr->awar(AWAR_APRINT_PAPER_SIZE)->read_int(); AWT_asciiprint_orientation ori = AWT_asciiprint_orientation(awr->awar(AWAR_APRINT_ORIENTATION)->read_int()); double res = 1.0; switch (ori){ case AWT_APRINT_ORIENTATION_PORTRAIT: res = 112.0/90.0; break; case AWT_APRINT_ORIENTATION_LANDSCAPE: res = 112.0/50.0; break; case AWT_APRINT_ORIENTATION_DOUBLE_PORTRAIT: res = 103.0/90.0; break; } if (psize == AWT_APRINT_PAPERSIZE_US) { //res = res *.96; // ????? } return res; } int awt_aps_get_default_lines_per_page(AW_root *awr){ AWT_asciiprint_orientation ori = AWT_asciiprint_orientation(awr->awar(AWAR_APRINT_ORIENTATION)->read_int()); switch (ori){ case AWT_APRINT_ORIENTATION_PORTRAIT: return 80; case AWT_APRINT_ORIENTATION_LANDSCAPE: return 60; case AWT_APRINT_ORIENTATION_DOUBLE_PORTRAIT: return 80; } return -1; } void awt_aps_calc_pages_needed(AW_root *awr){ int mag = awr->awar(AWAR_APRINT_MAGNIFICATION)->read_int(); if (mag < 25) { awr->awar(AWAR_APRINT_MAGNIFICATION)->write_int(mag*2); return; } if (mag > 250 ) { awr->awar(AWAR_APRINT_MAGNIFICATION)->write_int(250); return; } int x = awr->awar(AWAR_APRINT_SX)->read_int() * mag / 100; int y = awr->awar(AWAR_APRINT_SY)->read_int() * mag / 100; int default_lpp = awt_aps_get_default_lines_per_page(awr); double xy_ratio = awt_aps_get_xy_ratio(awr); int default_cpp = int(default_lpp * xy_ratio); awr->awar(AWAR_APRINT_DX)->write_float(double(x)/default_cpp); awr->awar(AWAR_APRINT_DY)->write_float(double(y)/default_lpp); x += default_cpp-1; y += default_lpp-1; x /= default_cpp; y /= default_lpp; awr->awar(AWAR_APRINT_PAGES)->write_int(x* y); } void awt_aps_set_magnification_to_fit_xpage(AW_root *awr){ int x = awr->awar(AWAR_APRINT_SX)->read_int(); //int y = awr->awar(AWAR_APRINT_SY)->read_int(); int dx = int(awr->awar(AWAR_APRINT_DX)->read_float()+.5); if (dx < 1) dx = 1; if (dx > 99) dx = 99; int default_lpp = awt_aps_get_default_lines_per_page(awr); double xy_ratio = awt_aps_get_xy_ratio(awr); int default_cpp = int(default_lpp * xy_ratio); int mag = 100 * default_cpp * dx / x; awr->awar(AWAR_APRINT_MAGNIFICATION)->write_int(mag); awt_aps_calc_pages_needed(awr); } void awt_aps_set_magnification_to_fit_ypage(AW_root *awr){ //int x = awr->awar(AWAR_APRINT_SX)->read_int(); int y = awr->awar(AWAR_APRINT_SY)->read_int(); int dy = int(awr->awar(AWAR_APRINT_DY)->read_float()+.5); if (dy < 1) dy = 1; if (dy > 99) dy = 99; int default_lpp = awt_aps_get_default_lines_per_page(awr); int mag = 100 * default_lpp * dy / y; awr->awar(AWAR_APRINT_MAGNIFICATION)->write_int(mag); awt_aps_calc_pages_needed(awr); } void awt_aps_set_magnification_to_fit_xpage(AW_window *aww){ awt_aps_set_magnification_to_fit_xpage(aww->get_root()); } void awt_aps_set_magnification_to_fit_ypage(AW_window *aww){ awt_aps_set_magnification_to_fit_ypage(aww->get_root()); } void awt_aps_text_changed(AW_root *awr){ char *text = awr->awar(AWAR_APRINT_TEXT)->read_string(); { char *rtext = GBS_replace_tabs_by_spaces(text); delete text; text = rtext; } int maxx,y; maxx = 1;y = 0; char *s; char *ns; for (s = text;s;s=ns){ ns = strchr(s,'\n'); if (ns) { ns[0] = 0; ns++; } int slen = strlen(s); if (slen > maxx) { maxx = slen; } y++; } if (!y) y++; awr->awar(AWAR_APRINT_SX)->write_int(maxx); awr->awar(AWAR_APRINT_SY)->write_int(y); delete text; awt_aps_set_magnification_to_fit_xpage(awr); } void AWT_write_file(const char *filename,const char *file){ FILE *f = fopen(filename,"r"); if (f){ fclose(f); if (aw_question(GBS_global_string("File '%s' already exist",filename),"Overwrt,Cancel")){ return; } } f = fopen(filename,"w"); if (!f){ aw_message(GBS_global_string("Cannot write to '%s'",filename)); return; } fprintf(f,"%s",file); fclose(f); } void awt_aps_go(AW_window *aww){ AW_root *awr = aww->get_root(); char *text = awr->awar(AWAR_APRINT_TEXT)->read_string(); freeset(text, GBS_replace_tabs_by_spaces(text)); AWT_asciiprint_destination dest = (AWT_asciiprint_destination)awr->awar(AWAR_APRINT_PRINTTO)->read_int(); if (dest == AWT_APRINT_DEST_AFILE){ char *file = awr->awar(AWAR_APRINT_FILE)->read_string(); AWT_write_file(file,text); free(file); } else { char *tmp_file; FILE *tmpf; { char *name = GB_unique_filename("arb_aprint", "txt"); tmpf = GB_fopen_tempfile(name, "wt", &tmp_file); free(name); } GB_ERROR error = NULL; if (!tmpf){ error = GBS_global_string("awt_aps_go: %s", GB_await_error()); } else { char *y_begin = text; int last_y = 0; double xy_ratio = awt_aps_get_xy_ratio(awr); int mag = awr->awar(AWAR_APRINT_MAGNIFICATION)->read_int(); int default_lpp = awt_aps_get_default_lines_per_page(awr); int default_cpp = int(default_lpp * xy_ratio); default_cpp = default_cpp * 100 / mag; default_lpp = default_lpp * 100 / mag; int text_width = awr->awar(AWAR_APRINT_SX)->read_int(); int text_height = awr->awar(AWAR_APRINT_SY)->read_int(); int x; int y; for (y = 0; y < text_height; y+= default_lpp){ while(last_y < y){ last_y ++; y_begin = strchr(y_begin,'\n'); if (!y_begin) break; y_begin++; } if (!y_begin) break; for (x = 0; x < text_width; x+= default_cpp){ char *line = y_begin; int i; for (i=0;i x + default_cpp){ line_length = x + default_cpp; } if (line_length > x) { fwrite(line + x, sizeof(char), line_length - x, tmpf); } line = next_line; } fprintf(tmpf,"\n"); } } } fclose(tmpf); char *a2ps_call = 0; { AWT_asciiprint_orientation ori = AWT_asciiprint_orientation(awr->awar(AWAR_APRINT_ORIENTATION)->read_int()); const char *oristring = ""; switch (ori){ case AWT_APRINT_ORIENTATION_PORTRAIT: oristring = "-p -1 "; break; case AWT_APRINT_ORIENTATION_LANDSCAPE: oristring = "-l -1 "; break; case AWT_APRINT_ORIENTATION_DOUBLE_PORTRAIT: oristring = "-p -2 "; break; } char *header = awr->awar(AWAR_APRINT_TITLE)->read_string(); a2ps_call = GBS_global_string_copy("arb_a2ps -ns -nP '-H%s' %s -l%i %s", header, oristring, default_lpp, tmp_file); free(header); } const char *scall = 0; switch(dest){ case AWT_APRINT_DEST_PRINTER: { char *printer = awr->awar(AWAR_APRINT_PRINTER)->read_string(); scall = GBS_global_string("%s |%s; rm -f %s", a2ps_call, printer, tmp_file); free(printer); break; } case AWT_APRINT_DEST_FILE: { char *file = awr->awar(AWAR_APRINT_FILE)->read_string(); scall = GBS_global_string("%s >%s;rm -f %s", a2ps_call, file, tmp_file); free(file); break; } case AWT_APRINT_DEST_PREVIEW: { char *tmp_file2; { char *name_only; GB_split_full_path(tmp_file, NULL, NULL, &name_only, NULL); tmp_file2 = GB_create_tempfile(GBS_global_string("%s.ps", name_only)); free(name_only); } if (!tmp_file2) error = GB_await_error(); else { scall = GBS_global_string("%s >%s;(%s %s;rm -f %s %s)&", a2ps_call, tmp_file2, GB_getenvARB_GS(), tmp_file2, tmp_file,tmp_file2); free(tmp_file2); } break; } default: gb_assert(0); break; } if (scall) { GB_informationf("executing '%s'", scall); if (system(scall) != 0) error = GBS_global_string("Error while calling '%s'", scall); } free(a2ps_call); } if (error) aw_message(error); free(tmp_file); } free(text); } void AWT_create_ascii_print_window(AW_root *awr, const char *text_to_print,const char *title){ static AW_window_simple *aws = 0; awr->awar_string(AWAR_APRINT_TEXT)->write_string(text_to_print); if (title){ awr->awar_string(AWAR_APRINT_TITLE)->write_string(title); } if (aws) { awr->awar_float(AWAR_APRINT_DX)->write_float(1.0); } else { aws = new AW_window_simple(); aws->init(awr,"PRINT","PRINT"); aws->load_xfig("awt/ascii_print.fig"); awr->awar_string(AWAR_APRINT_TITLE); awr->awar_string(AWAR_APRINT_TEXT) ->add_callback(awt_aps_text_changed); awr->awar_int(AWAR_APRINT_PAPER_SIZE,(int)AWT_APRINT_PAPERSIZE_A4) ->add_callback(awt_aps_set_magnification_to_fit_xpage); awr->awar_int(AWAR_APRINT_MAGNIFICATION,100) ->add_callback(awt_aps_calc_pages_needed); awr->awar_int(AWAR_APRINT_PAGES,1); awr->awar_int(AWAR_APRINT_SX,1); awr->awar_int(AWAR_APRINT_SY,1); awr->awar_float(AWAR_APRINT_DX,1.0); awr->awar_float(AWAR_APRINT_DY,1.0); awr->awar_int(AWAR_APRINT_ORIENTATION,(int)AWT_APRINT_ORIENTATION_PORTRAIT)->add_callback(awt_aps_set_magnification_to_fit_xpage); awr->awar_int(AWAR_APRINT_PRINTTO,int(AWT_APRINT_DEST_PRINTER)); { char *print_command; if (getenv("PRINTER")){ print_command = GBS_eval_env("lpr -h -P$(PRINTER)"); }else{ print_command = strdup("lpr -h"); } awr->awar_string( AWAR_APRINT_PRINTER,print_command); delete print_command; } awr->awar_string(AWAR_APRINT_FILE,"print.ps"); awt_aps_text_changed(awr); aws->at("close"); aws->callback(AW_POPDOWN); aws->create_button("CLOSE", "CLOSE"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"asciiprint.hlp"); aws->create_button("HELP", "HELP"); aws->at("go"); aws->callback(awt_aps_go); aws->create_button("PRINT", "PRINT"); aws->at("title"); aws->create_input_field(AWAR_APRINT_TITLE); aws->at("text"); aws->create_text_field(AWAR_APRINT_TEXT); aws->button_length(5); aws->at("rows"); aws->create_button(0,AWAR_APRINT_SY); aws->at("columns"); aws->create_button(0,AWAR_APRINT_SX); aws->at("magnification"); aws->create_input_field(AWAR_APRINT_MAGNIFICATION,4); aws->at("paper_size"); { aws->create_toggle_field(AWAR_APRINT_PAPER_SIZE,1); aws->insert_toggle("A4","A",int(AWT_APRINT_PAPERSIZE_A4)); aws->insert_toggle("US","U",int(AWT_APRINT_PAPERSIZE_US)); aws->update_toggle_field(); } aws->at("orientation"); { aws->create_toggle_field(AWAR_APRINT_ORIENTATION,1); aws->insert_toggle("#print/portrait.bitmap","P",int(AWT_APRINT_ORIENTATION_PORTRAIT)); aws->insert_toggle("#print/landscape.bitmap","P",int(AWT_APRINT_ORIENTATION_LANDSCAPE)); aws->update_toggle_field(); } aws->at("pages"); aws->create_button(0,AWAR_APRINT_PAGES); aws->at("dcol"); aws->callback(awt_aps_set_magnification_to_fit_xpage); aws->create_input_field(AWAR_APRINT_DX,4); aws->at("drows"); aws->callback(awt_aps_set_magnification_to_fit_ypage); aws->create_input_field(AWAR_APRINT_DY,4); aws->at("printto"); aws->create_toggle_field( AWAR_APRINT_PRINTTO); aws->insert_toggle("Printer","P",int(AWT_APRINT_DEST_PRINTER)); aws->insert_toggle("File (Postscript)","F",int(AWT_APRINT_DEST_FILE)); aws->insert_toggle("File (ASCII)","A",int(AWT_APRINT_DEST_AFILE)); aws->insert_toggle("Preview","V",int(AWT_APRINT_DEST_PREVIEW)); aws->update_toggle_field(); aws->at("printer"); aws->create_input_field(AWAR_APRINT_PRINTER, 16); aws->at("filename"); aws->create_input_field(AWAR_APRINT_FILE, 16); } aws->activate(); } void AWT_show_file(AW_root *awr, const char *filename){ char *text = GB_read_file(filename); if (!text){ aw_message(GB_await_error()); } else { AWT_create_ascii_print_window(awr, text, filename); free(text); } } ./arbsrc_9167/AWT/awt_asciiprint.hxx0000644012664100000130000000360411440742777017363 0ustar arb_buildcoders// =========================================================== // // // // File : awt_asciiprint.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef AWT_ASCIIPRINT_HXX #define AWT_ASCIIPRINT_HXX #define AWAR_APRINT "tmp/aprint/" #define AWAR_APRINT_TITLE AWAR_APRINT "title" #define AWAR_APRINT_TEXT AWAR_APRINT "text" #define AWAR_APRINT_PAPER_SIZE AWAR_APRINT "paper_size" #define AWAR_APRINT_MAGNIFICATION AWAR_APRINT "magnification" #define AWAR_APRINT_SX AWAR_APRINT "source_coloumns" #define AWAR_APRINT_SY AWAR_APRINT "source_rows" #define AWAR_APRINT_DX AWAR_APRINT "dest_cols" #define AWAR_APRINT_DY AWAR_APRINT "dest_rows" #define AWAR_APRINT_ORIENTATION AWAR_APRINT "orientation" #define AWAR_APRINT_PAGES AWAR_APRINT "pages" #define AWAR_APRINT_PRINTTO AWAR_APRINT "printto" #define AWAR_APRINT_PRINTER AWAR_APRINT "printer" #define AWAR_APRINT_FILE AWAR_APRINT "file" enum AWT_asciiprint_orientation { AWT_APRINT_ORIENTATION_PORTRAIT, AWT_APRINT_ORIENTATION_LANDSCAPE, AWT_APRINT_ORIENTATION_DOUBLE_PORTRAIT }; enum AWT_asciiprint_paper_size { AWT_APRINT_PAPERSIZE_A4, AWT_APRINT_PAPERSIZE_US }; enum AWT_asciiprint_destination { AWT_APRINT_DEST_PRINTER, AWT_APRINT_DEST_FILE, AWT_APRINT_DEST_AFILE, AWT_APRINT_DEST_PREVIEW }; #else #error awt_asciiprint.hxx included twice #endif // AWT_ASCIIPRINT_HXX ./arbsrc_9167/AWT/AWT_attributes.cxx0000644012664100000130000000307311440742777017237 0ustar arb_buildcoders// ==================================================================== // // // // File : AWT_attributes.cxx // // Purpose : get attribute colors for species/genes // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include #include #include #include "awt_attributes.hxx" using namespace std; // faked attribute-interface (currently uses deprecated color groups) int AWT_gene_get_dominant_color(GBDATA *gb_gene) { return AW_find_color_group(gb_gene, false); } int AWT_species_get_dominant_color(GBDATA *gb_species) { return AW_find_color_group(gb_species, false); } bool AWT_gene_has_attribute(GBDATA *gb_gene, int attribute_nr) { return AW_find_color_group(gb_gene, true) == attribute_nr; } bool AWT_species_has_attribute(GBDATA *gb_species, int attribute_nr) { return AW_find_color_group(gb_species, true) == attribute_nr; } ./arbsrc_9167/AWT/awt_attributes.hxx0000644012664100000130000000277311440742777017412 0ustar arb_buildcoders// ==================================================================== // // // // File : awt_attributes.hxx // // Purpose : get attribute colors for species/genes // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef AWT_ATTRIBUTES_HXX #define AWT_ATTRIBUTES_HXX // find the color of the most dominant attribute of a gene/species // returns 0 if no such color exists (or if display of attributes is disabled) // returns 1..n otherwise int AWT_gene_get_dominant_color(GBDATA *gb_gene); int AWT_species_get_dominant_color(GBDATA *gb_species); // check whether a gene/species matches the requirement of an attribute bool AWT_gene_has_attribute(GBDATA *gb_gene, int attribute_nr); bool AWT_species_has_attribute(GBDATA *gb_gene, int attribute_nr); #else #error awt_attributes.hxx included twice #endif // AWT_ATTRIBUTES_HXX ./arbsrc_9167/AWT/AWT_automata.cxx0000644012664100000130000000166511440742777016671 0ustar arb_buildcoders#include #include #include "awt_automata.hxx" AWT_automata::AWT_automata(bool free_value){ memset((char *)this,0,sizefof(*this)); value_is_malloced = free_value; } // set gaps[gap] = 1 gaps[nogap] = 0 void AWT_automata::set_gaps(char *ga) { memset(gaps,0,256); while (*ga) gaps[*(ga++)] = 1; } void AWT_automata::get_fwd(char *str,int pos) { AWT_auto_states *state = this; AW_CL last_value = 0; unsigned char *p = (unsigned char *)str + pos; int b; for ( ; b=*p;p++) { if (gaps[b]) continue; // do not read gaps if (state->value) last_value = state->value; if (!state->children) return last_value; // that's it state = state->children[b]; // can we go deeper if (!state) return last_value; } return last_value; } char *AWT_automata::insert(char *str, AW_CL value){ }; ./arbsrc_9167/AWT/awt_automata.hxx0000644012664100000130000000260111440742777017025 0ustar arb_buildcoders// =========================================================== // // // // File : awt_automata.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef AWT_AUTOMATA_HXX #define AWT_AUTOMATA_HXX typedef long AW_CL; // generic client data type (void *) class AWT_auto_states { public: AWT_auto_states *children; int value_is_malloced; AW_CL value; AWT_auto_states(); ~AWT_auto_states(); }; class AWT_automata: protected AWT_auto_states { char gaps[256]; int value_is_malloced; public: AWT_automata(int free_value = 0); ~AWT_automata(); char *insert(char *str, AW_CL value); void set_gaps(char *gaps); // returns error msg AW_CL get_fwd(char *str, int pos); // returns val forward AW_CL get_bwd(char *str, int pos); // returns val backward } #else #error awt_automata.hxx included twice #endif // AWT_AUTOMATA_HXX ./arbsrc_9167/AWT/AWT_canio.cxx0000644012664100000130000006423711440742777016153 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include "awt_canvas.hxx" #include "awt.hxx" // -------------------------------------------------------------------------------- enum PrintDest { PDEST_PRINTER = 0, PDEST_POSTSCRIPT = 1, PDEST_PREVIEW = 2, }; // -------------------------------------------------------------------------------- static void awt_print_tree_check_size(void *, AW_CL cl_ntw) { AWT_canvas *ntw = (AWT_canvas*)cl_ntw; GB_transaction dummy2(ntw->gb_main); AW_world size; long what = ntw->aww->get_root()->awar(AWAR_PRINT_TREE_CLIP)->read_int(); AW_device *size_device = ntw->aww->get_size_device(AW_MIDDLE_AREA); if (what){ size_device->reset(); size_device->zoom(ntw->trans_to_fit); size_device->set_filter(AW_SCREEN); ntw->tree_disp->show(size_device); size_device->get_size_information(&size); }else{ size_device->get_area_size(&size); } ntw->aww->get_root()->awar(AWAR_PRINT_TREE_GSIZEX)->write_float((size.r-size.l + 30)/80); ntw->aww->get_root()->awar(AWAR_PRINT_TREE_GSIZEY)->write_float((size.b-size.t + 30)/80); } inline int xy2pages(double sx, double sy) { return (int(sx+0.99)*int(sy+0.99)); } void awt_page_size_check_cb(AW_root *awr) { bool landscape = awr->awar(AWAR_PRINT_TREE_LANDSCAPE)->read_int(); double px = awr->awar(AWAR_PRINT_TREE_PSIZEX)->read_float(); double py = awr->awar(AWAR_PRINT_TREE_PSIZEY)->read_float(); if (landscape != (px>py)) { awr->awar(AWAR_PRINT_TREE_PSIZEX)->write_float(py); // recalls this function awr->awar(AWAR_PRINT_TREE_PSIZEY)->write_float(px); return; } long magnification = awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->read_int(); double gx = awr->awar(AWAR_PRINT_TREE_GSIZEX)->read_float(); double gy = awr->awar(AWAR_PRINT_TREE_GSIZEY)->read_float(); double ox = (gx*magnification)/100; // resulting size of output in inches double oy = (gy*magnification)/100; double sx = 0; // resulting pages double sy = 0; bool useOverlap = awr->awar(AWAR_PRINT_TREE_OVERLAP)->read_int(); if (useOverlap) { double overlapAmount = awr->awar(AWAR_PRINT_TREE_OVERLAP_AMOUNT)->read_float(); if (overlapAmount >= px || overlapAmount >= py) { aw_message("Overlap amount bigger than paper size. Please fix!"); } else { while (ox>px) { ox = ox-px+overlapAmount; sx += 1.0; } while (oy>py) { oy = oy-py+overlapAmount; sy += 1.0; } sx += ox/px; sy += oy/py; } } else { sx = ox/px; sy = oy/py; } awr->awar(AWAR_PRINT_TREE_SIZEX)->write_float(sx); awr->awar(AWAR_PRINT_TREE_SIZEY)->write_float(sy); awr->awar(AWAR_PRINT_TREE_PAGES)->write_int(xy2pages(sx, sy)); } // -------------------------------------------------------------------------------- static bool export_awars_created = false; static bool print_awars_created = false; static void create_export_awars(AW_root *awr) { if (!export_awars_created) { AW_default def = AW_ROOT_DEFAULT; awr->awar_int(AWAR_PRINT_TREE_CLIP, 0, def); awr->awar_int(AWAR_PRINT_TREE_HANDLES, 1, def); awr->awar_int(AWAR_PRINT_TREE_COLOR, 1, def); awr->awar_string(AWAR_PRINT_TREE_FILE_NAME, "print.fig", def); awr->awar_string(AWAR_PRINT_TREE_FILE_DIR, "", def); awr->awar_string(AWAR_PRINT_TREE_FILE_FILTER, "fig", def); awr->awar_int(AWAR_PRINT_TREE_LANDSCAPE, 0, def); awr->awar_int(AWAR_PRINT_TREE_MAGNIFICATION, 100, def); // constraints: awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->set_minmax(1, 10000); export_awars_created = true; } } static void resetFiletype(AW_root *awr, const char *filter, const char *defaultFilename) { AW_awar *awar_filter = awr->awar(AWAR_PRINT_TREE_FILE_FILTER); char *current_filter = awar_filter->read_string(); if (strcmp(current_filter, filter) != 0) { awar_filter->write_string(filter); awr->awar(AWAR_PRINT_TREE_FILE_NAME)->write_string(defaultFilename); } free(current_filter); } static void create_print_awars(AW_root *awr, AWT_canvas *ntw) { create_export_awars(awr); if (!print_awars_created) { AW_default def = AW_ROOT_DEFAULT; awr->awar_int(AWAR_PRINT_TREE_PAGES, 1, def); awr->awar_int(AWAR_PRINT_TREE_OVERLAP, 1, def); awr->awar_float(AWAR_PRINT_TREE_OVERLAP_AMOUNT, 0.82, def); awr->awar_float(AWAR_PRINT_TREE_GSIZEX); awr->awar_float(AWAR_PRINT_TREE_GSIZEY); // default paper size (A4 = 8.27*11.69) // using 'preview' determined the following values (fitting 1 page!): awr->awar_float(AWAR_PRINT_TREE_PSIZEX, 7.5); awr->awar_float(AWAR_PRINT_TREE_PSIZEY, 10.5); awr->awar_float(AWAR_PRINT_TREE_SIZEX); awr->awar_float(AWAR_PRINT_TREE_SIZEY); awr->awar_int(AWAR_PRINT_TREE_DEST); { char *print_command; if (getenv("PRINTER")){ print_command = GBS_eval_env("lpr -h -P$(PRINTER)"); }else print_command = strdup("lpr -h"); awr->awar_string(AWAR_PRINT_TREE_PRINTER, print_command, def); free(print_command); } // constraints and automatics: awr->awar(AWAR_PRINT_TREE_PSIZEX)->set_minmax(0.1, 100); awr->awar(AWAR_PRINT_TREE_PSIZEY)->set_minmax(0.1, 100); awt_print_tree_check_size(0, (AW_CL)ntw); awr->awar(AWAR_PRINT_TREE_CLIP)->add_callback((AW_RCB1)awt_print_tree_check_size, (AW_CL)ntw); { // add callbacks for page recalculation const char *checked_awars[] = { AWAR_PRINT_TREE_MAGNIFICATION, AWAR_PRINT_TREE_LANDSCAPE, AWAR_PRINT_TREE_OVERLAP, AWAR_PRINT_TREE_OVERLAP_AMOUNT, AWAR_PRINT_TREE_PSIZEX, AWAR_PRINT_TREE_PSIZEY, AWAR_PRINT_TREE_GSIZEX, AWAR_PRINT_TREE_GSIZEY, 0 }; for (int ca = 0; checked_awars[ca]; ca++) { awr->awar(checked_awars[ca])->add_callback(awt_page_size_check_cb); } } awt_page_size_check_cb(awr); print_awars_created = true; } } // -------------------------------------------------------------------------------- const char *AWT_print_tree_to_file(AW_window *aww, AWT_canvas * ntw) { // export to xfig GB_transaction ta(ntw->gb_main); AW_root *awr = aww->get_root(); char *dest = awt_get_selected_fullname(awr, AWAR_PRINT_TREE_FILE_BASE); GB_ERROR error = 0; if (dest[0] == 0) { error = "Please enter a file name"; } else { long what = awr->awar(AWAR_PRINT_TREE_CLIP)->read_int(); long handles = awr->awar(AWAR_PRINT_TREE_HANDLES)->read_int(); int use_color = awr->awar(AWAR_PRINT_TREE_COLOR)->read_int(); AW_device *device = ntw->aww->get_print_device(AW_MIDDLE_AREA); AW_device *size_device = ntw->aww->get_size_device(AW_MIDDLE_AREA); device->reset(); device->set_color_mode(use_color==1); error = device->open(dest); device->line(0, 0, 0, 1, -1); // dummy point upper left corner if (what) { // draw all AW_world size; size_device->reset(); size_device->zoom(ntw->trans_to_fit); size_device->set_filter(AW_SCREEN); ntw->tree_disp->show(size_device); size_device->get_size_information(&size); size.l -= 50; size.t -= 40; // expand pic size.r += 20; size.b += 20; device->set_offset(AW::Vector(size.l, size.t) / -ntw->trans_to_fit); device->set_bottom_clip_border((int)(size.b-size.t), true); device->set_right_clip_border((int)(size.r-size.l), true); device->zoom(ntw->trans_to_fit); } else { ntw->init_device(device); // draw screen } if (!error) { if (handles) { device->set_filter(AW_PRINTER | AW_PRINTER_EXT); } else { device->set_filter(AW_PRINTER); } ntw->tree_disp->show(device); device->close(); awr->awar(AWAR_PRINT_TREE_FILE_DIR)->touch(); // reload dir !!! } } if (error) aw_message(error); free(dest); return error; } void AWT_print_tree_to_file_xfig(AW_window *aww, AW_CL cl_ntw){ AWT_canvas * ntw = (AWT_canvas*)cl_ntw; AW_root *awr = aww->get_root(); const char *error = AWT_print_tree_to_file(aww, ntw); if (!error) { char *dest = awt_get_selected_fullname(awr, AWAR_PRINT_TREE_FILE_BASE); system(GBS_global_string("xfig %s &", dest)); free(dest); } } void AWT_popup_tree_export_window(AW_window *parent_win, AW_CL cl_canvas, AW_CL) { static AW_window_simple *aws = 0; AW_root *awr = parent_win->get_root(); create_export_awars(awr); resetFiletype(awr, "fig", "print.fig"); if (!aws) { aws = new AW_window_simple; aws->init(awr, "EXPORT_TREE_AS_XFIG", "EXPORT TREE TO XFIG"); aws->load_xfig("awt/export.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CLOSE", "C"); aws->at("help");aws->callback(AW_POPUP_HELP, (AW_CL)"tree2file.hlp"); aws->create_button("HELP", "HELP", "H"); aws->label_length(15); awt_create_selection_box((AW_window *)aws, AWAR_PRINT_TREE_FILE_BASE); aws->at("what"); aws->label("Clip at Screen"); aws->create_toggle_field(AWAR_PRINT_TREE_CLIP, 1); aws->insert_toggle("#print/clipscreen.bitmap", "S", 0); aws->insert_toggle("#print/clipall.bitmap", "A", 1); aws->update_toggle_field(); aws->at("remove_root"); aws->label("Show Handles"); aws->create_toggle_field(AWAR_PRINT_TREE_HANDLES, 1); aws->insert_toggle("#print/nohandles.bitmap", "S", 0); aws->insert_toggle("#print/handles.bitmap", "A", 1); aws->update_toggle_field(); aws->at("color"); aws->label("Export colors"); aws->create_toggle(AWAR_PRINT_TREE_COLOR); aws->at("xfig");aws->callback(AWT_print_tree_to_file_xfig, cl_canvas); aws->create_button("START_XFIG", "GO XFIG", "X"); aws->at("cancel");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CANCEL", "C"); } aws->activate(); } /*------------------------------------- to export secondary structure to XFIG ---------------------------------------------*/ void AWT_popup_sec_export_window(AW_window *parent_win, AW_CL cl_canvas, AW_CL) { static AW_window_simple *aws = 0; AW_root *awr = parent_win->get_root(); create_export_awars(awr); resetFiletype(awr, "fig", "print.fig"); if (!aws) { aws = new AW_window_simple; aws->init(awr, "EXPORT_TREE_AS_XFIG", "EXPORT STRUCTURE TO XFIG"); aws->load_xfig("awt/secExport.fig"); aws->at("help");aws->callback(AW_POPUP_HELP, (AW_CL)"tree2file.hlp"); aws->create_button("HELP", "HELP", "H"); aws->label_length(15); awt_create_selection_box((AW_window *)aws, AWAR_PRINT_TREE_FILE_BASE); aws->at("what"); aws->label("Clip Options"); aws->create_option_menu(AWAR_PRINT_TREE_CLIP); aws->insert_option("Export screen only", "s", 0); aws->insert_default_option("Export complete structure", "c", 1); aws->update_option_menu(); aws->at("color"); aws->label("Export colors"); aws->create_toggle(AWAR_PRINT_TREE_COLOR); aws->at("xfig"); aws->callback(AWT_print_tree_to_file_xfig, cl_canvas); aws->create_button("START_XFIG", "EXPORT to XFIG", "X"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CLOSE", "C"); aws->at("cancel");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CANCEL", "C"); } aws->activate(); } /*------------------------------------------------------------------------------------------------------------------------------------------*/ void AWT_print_tree_to_printer(AW_window *aww, AW_CL cl_ntw) { AWT_canvas *ntw = (AWT_canvas*)cl_ntw; GB_transaction ta(ntw->gb_main); AW_root *awr = aww->get_root(); GB_ERROR error = 0; char *dest = 0; PrintDest printdest = (PrintDest)awr->awar(AWAR_PRINT_TREE_DEST)->read_int(); switch (printdest) { case PDEST_POSTSCRIPT: { dest = awt_get_selected_fullname(awr, AWAR_PRINT_TREE_FILE_BASE); FILE *out = fopen(dest, "w"); if (!out) error = GB_export_IO_error("writing", dest); else fclose(out); break; } default: { char *name = GB_unique_filename("arb_print", "ps"); dest = GB_create_tempfile(name); free(name); if (!dest) error = GB_await_error(); break; } } if (!error) { AW_device *device= ntw->aww->get_print_device(AW_MIDDLE_AREA); char *xfig; { char *name = GB_unique_filename("arb_print", "xfig"); xfig = GB_create_tempfile(name); free(name); } aw_openstatus("Printing"); if (!xfig) error = GB_await_error(); else { device->reset(); ntw->init_device(device); // draw screen aw_status("Get Picture Size"); device->reset(); device->set_color_mode(awr->awar(AWAR_PRINT_TREE_COLOR)->read_int() == 1); error = device->open(xfig); } if (!error) { device->line(0, 0, 0, 1, -1); // dummy point upper left corner if (awr->awar(AWAR_PRINT_TREE_CLIP)->read_int()) { // draw all AW_world size; AW_device *size_device = ntw->aww->get_size_device(AW_MIDDLE_AREA); size_device->reset(); size_device->zoom(ntw->trans_to_fit); size_device->set_filter(AW_SCREEN); ntw->tree_disp->show(size_device); size_device->get_size_information(&size); size.l -= 50; size.t -= 40; // expand pic size.r += 20; size.b += 20; device->set_offset(AW::Vector(size.l, size.t) / -ntw->trans_to_fit); device->set_bottom_clip_border((int)(size.b-size.t), true); device->set_right_clip_border((int)(size.r-size.l), true); device->zoom(ntw->trans_to_fit); } else { ntw->init_device(device); // draw screen } // ---------------------------------------- aw_status("Exporting Data"); device->set_filter(awr->awar(AWAR_PRINT_TREE_HANDLES)->read_int() ? AW_PRINTER | AW_PRINTER_EXT : AW_PRINTER); ntw->tree_disp->show(device); device->close(); gb_assert(GB_is_privatefile(xfig, GB_TRUE)); // ---------------------------------------- aw_status("Converting to Postscript"); { bool landscape = awr->awar(AWAR_PRINT_TREE_LANDSCAPE)->read_int(); bool useOverlap = awr->awar(AWAR_PRINT_TREE_OVERLAP)->read_int(); double magnification = awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->read_int() * 0.01; char *cmd_fig2ps = GBS_global_string_copy("fig2dev -L ps -M %s -m %f %s %s %s", (useOverlap ? "-O" : ""), magnification, (landscape ? "-l 0" : "-p 0"), xfig, dest); error = GB_system(cmd_fig2ps); free(cmd_fig2ps); } // if user saves to .ps -> no special file permissions are required gb_assert(printdest == PDEST_POSTSCRIPT || GB_is_privatefile(dest, GB_FALSE)); if (!error) { aw_status("Printing"); switch(printdest) { case PDEST_PREVIEW: { GB_CSTR gs = GB_getenvARB_GS(); GB_CSTR command = GBS_global_string("(%s %s;rm -f %s) &", gs, dest, dest); error = GB_system(command); break; } case PDEST_POSTSCRIPT: break; case PDEST_PRINTER: { char *prt = awr->awar(AWAR_PRINT_TREE_PRINTER)->read_string(); error = GB_system(GBS_global_string("%s %s", prt, dest)); free(prt); GB_unlink_or_warn(dest, &error); break; } } } } aw_closestatus(); GB_unlink_or_warn(xfig, &error); free(xfig); } free(dest); if (error) aw_message(error); } static long calc_mag_from_psize(AW_root *awr, double papersize, double gfxsize, double wantedpages) { bool useOverlap = awr->awar(AWAR_PRINT_TREE_OVERLAP)->read_int(); long mag = -1; double usableSize = 0; if (useOverlap) { double overlapAmount = awr->awar(AWAR_PRINT_TREE_OVERLAP_AMOUNT)->read_float(); if (wantedpages>1.0) { while (wantedpages>1.0) { usableSize += papersize-overlapAmount; wantedpages -= 1.0; } if (usableSize<0.1) aw_message("Usable size very low. Wrong overlap amount?"); } usableSize += papersize * wantedpages; // add (partial) page (don't subtract overlapAmount) } else { usableSize = wantedpages*papersize; } mag = (long)(usableSize*100/gfxsize); #if defined(DEBUG) fprintf(stderr, "usableSize=%f mag=%li\n", usableSize, mag); #endif // DEBUG return mag; } // called when resulting pages x-factor was changed by users void awt_calc_mag_from_psizex(AW_window *aww) { AW_root *awr = aww->get_root(); double papersize = awr->awar(AWAR_PRINT_TREE_PSIZEX)->read_float(); double gfxsize = awr->awar(AWAR_PRINT_TREE_GSIZEX)->read_float(); double wantedpages = awr->awar(AWAR_PRINT_TREE_SIZEX)->read_float(); long mag = calc_mag_from_psize(awr, papersize, gfxsize, wantedpages); awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->write_int(mag); } // called when resulting pages y-factor was changed by users void awt_calc_mag_from_psizey(AW_window *aww) { AW_root *awr = aww->get_root(); double papersize = awr->awar(AWAR_PRINT_TREE_PSIZEY)->read_float(); double gfxsize = awr->awar(AWAR_PRINT_TREE_GSIZEY)->read_float(); double wantedpages = awr->awar(AWAR_PRINT_TREE_SIZEY)->read_float(); long mag = calc_mag_from_psize(awr, papersize, gfxsize, wantedpages); awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->write_int(mag); } void awt_calc_best_fit(AW_window *aww) { int best_orientation = -1; const char *best_zoom_awar_name = 0; float best_zoom = 0; int best_magnification = 0; int best_pages = 0; AW_root *awr = aww->get_root(); int wanted_pages = awr->awar(AWAR_PRINT_TREE_PAGES)->read_int(); for (int o = 0; o <= 1; ++o) { awr->awar(AWAR_PRINT_TREE_LANDSCAPE)->write_int(o); // set orientation (calls awt_page_size_check_cb) for (int xy = 0; xy <= 1; ++xy) { const char *awar_name = xy == 0 ? AWAR_PRINT_TREE_SIZEX : AWAR_PRINT_TREE_SIZEY; for (int pcount = 1; pcount <= wanted_pages; pcount++) { double zoom = pcount*1.0; awr->awar(awar_name)->write_float(zoom); // set zoom (x or y) // calculate magnification : if (xy == 0) awt_calc_mag_from_psizex(aww); else awt_calc_mag_from_psizey(aww); int magnification = awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->read_int(); // read calculated magnification double sx = awr->awar(AWAR_PRINT_TREE_SIZEX)->read_float(); double sy = awr->awar(AWAR_PRINT_TREE_SIZEY)->read_float(); int pages = xy2pages(sx, sy); if (pages>wanted_pages) break; // pcount-loop #if defined(DEBUG) fprintf(stderr, "pages=%i sx=%f sy=%f mag=%i awar_name=%s landscape='%i'", pages, sx, sy, magnification, awar_name, o); #endif // DEBUG if (pages <= wanted_pages && pages >= best_pages && magnification>best_magnification) { // fits on wanted_pages and is best result yet best_magnification = magnification; best_orientation = o; best_zoom_awar_name = awar_name; best_zoom = zoom; best_pages = pages; #if defined(DEBUG) fprintf(stderr, " [best yet]"); #endif // DEBUG } #if defined(DEBUG) fprintf(stderr, "\n"); #endif // DEBUG } } } if (best_orientation != -1) { awt_assert(best_zoom_awar_name); // take the best found values : awr->awar(AWAR_PRINT_TREE_LANDSCAPE)->write_int(best_orientation); awr->awar(best_zoom_awar_name)->write_float(best_zoom); awr->awar(AWAR_PRINT_TREE_PAGES)->write_int(best_pages); awr->awar(AWAR_PRINT_TREE_MAGNIFICATION)->write_int(best_magnification); if (best_pages != wanted_pages) { aw_message(GBS_global_string("That didn't fit on %i page(s) - using %i page(s)", wanted_pages, best_pages)); } } else { aw_message(GBS_global_string("That didn't fit on %i page(s)", wanted_pages)); } } void AWT_popup_print_window(AW_window *parent_win, AW_CL cl_canvas, AW_CL) { AW_root *awr = parent_win->get_root(); AWT_canvas *ntw = (AWT_canvas*)cl_canvas; static AW_window_simple *aws = 0; create_print_awars(awr, ntw); resetFiletype(awr, "ps", "print.ps"); if (!aws) { aws = new AW_window_simple; aws->init(awr, "PRINT_CANVAS", "PRINT GRAPHIC"); aws->load_xfig("awt/print.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CLOSE", "C"); aws->at("help");aws->callback(AW_POPUP_HELP, (AW_CL)"tree2prt.hlp"); aws->create_button("HELP", "HELP", "H"); aws->at("orientation"); aws->create_toggle_field(AWAR_PRINT_TREE_LANDSCAPE, 1); aws->insert_toggle("#print/landscape.bitmap", "L", 1); aws->insert_toggle("#print/portrait.bitmap", "P", 0); aws->update_toggle_field(); aws->label_length(15); aws->at("magnification"); aws->create_input_field(AWAR_PRINT_TREE_MAGNIFICATION, 4); aws->at("what"); aws->label("Clip at Screen"); aws->create_toggle_field(AWAR_PRINT_TREE_CLIP, 1); aws->insert_toggle("#print/clipscreen.bitmap", "S", 0); aws->insert_toggle("#print/clipall.bitmap", "A", 1); aws->update_toggle_field(); aws->at("remove_root"); aws->label("Show Handles"); aws->create_toggle_field(AWAR_PRINT_TREE_HANDLES, 1); aws->insert_toggle("#print/nohandles.bitmap", "S", 0); aws->insert_toggle("#print/handles.bitmap", "A", 1); aws->update_toggle_field(); aws->at("color"); aws->label("Export colors"); aws->create_toggle(AWAR_PRINT_TREE_COLOR); aws->button_length(6); aws->at("gsizex"); aws->create_button(0, AWAR_PRINT_TREE_GSIZEX); aws->at("gsizey"); aws->create_button(0, AWAR_PRINT_TREE_GSIZEY); aws->button_length(8); aws->at("psizex"); aws->create_input_field(AWAR_PRINT_TREE_PSIZEX, 4); aws->at("psizey"); aws->create_input_field(AWAR_PRINT_TREE_PSIZEY, 4); aws->at("sizex"); aws->callback(awt_calc_mag_from_psizex); aws->create_input_field(AWAR_PRINT_TREE_SIZEX, 4); aws->at("sizey"); aws->callback(awt_calc_mag_from_psizey); aws->create_input_field(AWAR_PRINT_TREE_SIZEY, 4); aws->at("best_fit"); aws->callback(awt_calc_best_fit); aws->create_autosize_button(0, "Fit on"); aws->at("pages"); aws->create_input_field(AWAR_PRINT_TREE_PAGES, 3); aws->at("overlap"); aws->create_toggle(AWAR_PRINT_TREE_OVERLAP); aws->at("amount"); aws->create_input_field(AWAR_PRINT_TREE_OVERLAP_AMOUNT, 4); aws->at("printto"); aws->label_length(12); aws->label("Destination"); aws->create_toggle_field(AWAR_PRINT_TREE_DEST); aws->insert_toggle("Printer", "P", PDEST_PRINTER); aws->insert_toggle("File (Postscript)", "F", PDEST_POSTSCRIPT); aws->insert_toggle("Preview", "V", PDEST_PREVIEW); aws->update_toggle_field(); aws->at("printer"); aws->create_input_field(AWAR_PRINT_TREE_PRINTER, 16); aws->at("filename"); aws->create_input_field(AWAR_PRINT_TREE_FILE_NAME, 16); aws->at("go"); aws->highlight(); aws->callback(AWT_print_tree_to_printer, (AW_CL)ntw); aws->create_button("PRINT", "PRINT", "P"); aws->button_length(0); aws->at("getsize"); aws->callback((AW_CB1)awt_print_tree_check_size, (AW_CL)ntw); aws->create_button(0, "Get Graphic Size"); } awt_print_tree_check_size(0, (AW_CL)ntw); aws->activate(); } ./arbsrc_9167/AWT/AWT_canvas.cxx0000644012664100000130000006464611440742777016341 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include using namespace std; using namespace AW; void AWT_motion_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2); void AWT_clip_expose(AW_window *aww,AWT_canvas *ntw, int left_border, int right_border, int top_border, int bottom_border, int hor_overlap, int ver_overlap); void AWT_expose_cb(AW_window *dummy,AWT_canvas *ntw, AW_CL cl2); void AWT_resize_cb(AW_window *dummy,AWT_canvas *ntw, AW_CL cl2); void AWT_focus_cb(AW_window *dummy,AWT_canvas *ntw); void AWT_input_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2); void AWT_motion_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2); void AWT_scroll_vert_cb( AW_window *aww, AWT_canvas* ntw, AW_CL cl1); void AWT_scroll_hor_cb( AW_window *aww, AWT_canvas* ntw, AW_CL cl1); void AWT_graphic_exports::clear(){ zoom_reset = 0; resize = 0; refresh = 0; save = 0; structure_change = 0; } void AWT_graphic_exports::init() { clear(); dont_fit_x = 0; dont_fit_y = 0; dont_fit_larger = 0; dont_scroll = 0; } void AWT_canvas::set_horizontal_scrollbar_position(AW_window *, int pos) { int maxpos = int(worldsize.r-rect.r)-1; if (pos>maxpos) pos = maxpos; if (pos<0) pos = 0; aww->set_horizontal_scrollbar_position(pos); } void AWT_canvas::set_vertical_scrollbar_position(AW_window *, int pos) { int maxpos = int(worldsize.b-rect.b)-1; if (pos>maxpos) pos = maxpos; if (pos<0) pos = 0; aww->set_vertical_scrollbar_position(pos); } void AWT_canvas::set_scrollbars( ) // { AW_pos width = this->worldinfo.r - this->worldinfo.l; AW_pos height = this->worldinfo.b - this->worldinfo.t; worldsize.l = 0; worldsize.r = width*this->trans_to_fit + tree_disp->exports.left_offset + tree_disp->exports.right_offset; worldsize.t = 0; AW_pos scale = this->trans_to_fit; if (tree_disp->exports.dont_fit_y) { scale = 1.0; } worldsize.b = height*scale + tree_disp->exports.top_offset + tree_disp->exports.bottom_offset; aww->tell_scrolled_picture_size(worldsize); aww->calculate_scrollbars(); this->old_hor_scroll_pos = (int)((-this->worldinfo.l - this->shift_x_to_fit)* this->trans_to_fit + tree_disp->exports.left_offset); this->set_horizontal_scrollbar_position(this->aww, old_hor_scroll_pos); this->old_vert_scroll_pos = (int)((-this->worldinfo.t - this->shift_y_to_fit)* this->trans_to_fit+ tree_disp->exports.top_offset); this->set_vertical_scrollbar_position(this->aww, old_vert_scroll_pos); } void AWT_canvas::init_device(AW_device *device) { device->reset(); device->shift(AW::Vector(shift_x_to_fit, shift_y_to_fit)); device->zoom(this->trans_to_fit); } void AWT_canvas::zoom_reset( void ) { GB_transaction dummy(this->gb_main); AW_device *device = aww->get_size_device (AW_MIDDLE_AREA); device->set_filter(AW_SIZE); device->reset(); this->tree_disp->show(device); device->get_size_information(&(this->worldinfo)); AW_pos width = this->worldinfo.r - this->worldinfo.l; AW_pos height = this->worldinfo.b - this->worldinfo.t; device->get_area_size(&(this->rect)); // real world size (no offset) AW_pos net_window_width = rect.r - rect.l - (tree_disp->exports.left_offset + tree_disp->exports.right_offset); AW_pos net_window_height = rect.b - rect.t - (tree_disp->exports.top_offset + tree_disp->exports.bottom_offset); if (net_window_widthexports.dont_fit_larger) { if (width>height) { // like dont_fit_x = 1; dont_fit_y = 0; x_scale = y_scale; } else { // like dont_fit_y = 1; dont_fit_x = 0; y_scale = x_scale; } } else { if (tree_disp->exports.dont_fit_x) { if (tree_disp->exports.dont_fit_y) { x_scale = y_scale = 1.0; } else { x_scale = y_scale; } } else { if (tree_disp->exports.dont_fit_y) { y_scale = x_scale; } else { ; } // if (tree_disp->exports.dont_fit_y) { // Ralf: old version (IMHO wrong) // ; // }else{ // if (y_scale < x_scale) x_scale = y_scale; // } } } this->trans_to_fit = x_scale; // complete, upper left corner this->shift_x_to_fit = - this->worldinfo.l + tree_disp->exports.left_offset/x_scale; this->shift_y_to_fit = - this->worldinfo.t + tree_disp->exports.top_offset/x_scale; this->old_hor_scroll_pos = 0; this->old_vert_scroll_pos = 0; // scale this->set_scrollbars(); } void AWT_canvas::recalc_size( void ){ GB_transaction dummy(this->gb_main); AW_device *device = aww->get_size_device (AW_MIDDLE_AREA); device->set_filter(AW_SIZE); device->reset(); this->tree_disp->show(device); device->get_size_information(&(this->worldinfo)); device->get_area_size(&(this->rect)); // real world size (no offset) this->set_scrollbars(); } void AWT_canvas::zoom(AW_device *device, bool zoomIn, const Rectangle& wanted_part, const Rectangle& current_part) { // zooms the device. // // zoomIn == true -> wanted_part is zoomed to current_part // zoomIn == false -> current_part is zoomed to wanted_part // // If wanted_part is very small -> assume mistake (act like single click) // Single click zooms by 10% centering on click position init_device(device); AW_pos width = worldinfo.r-worldinfo.l; AW_pos height = worldinfo.b-worldinfo.t; if (widthexports.dont_fit_y) takey = false; if (tree_disp->exports.dont_fit_x) takex = false; if (tree_disp->exports.dont_fit_larger) { if (width>height) takey = false; else takex = false; } } if (!takex && !takey) { aw_message("Zoom does not work in this mode"); return; } Rectangle current(device->rtransform(current_part)); Rectangle wanted; bool isClick = false; if (takex) { if (takey) { if (wanted_part.line_vector().length()<40.0) isClick = true; } else { if (wanted_part.width()<30.0) isClick = true; } } else { if (wanted_part.height()<30.0) isClick = true; } if (isClick) { // very small part or single click // -> zomm by 10 % on click position Vector wanted_diagonal = current.diagonal()*0.45; Position clickPos = device->rtransform(wanted_part.centroid()); Position screenCenter = current.centroid(); Vector center2click(screenCenter, clickPos); Vector center2click_zoomed = center2click / 0.9; Position clickPos_zoomed = screenCenter+center2click_zoomed; Vector to_zoomed(clickPos, clickPos_zoomed); Position zoomedCenter = screenCenter+to_zoomed; // wanted = Rectangle(clickPos-wanted_diagonal, 2*wanted_diagonal); // zoom-rectangle around center wanted = Rectangle(zoomedCenter-wanted_diagonal, 2*wanted_diagonal); } else { wanted = Rectangle(device->rtransform(wanted_part)); } if (!zoomIn) { // calculate big rectangle (outside of viewport), which is zoomed into viewport if (takex && takey) { double factor = current.diagonal().length()/wanted.diagonal().length(); Vector curr2wanted(current.upper_left_corner(), wanted.upper_left_corner()); Rectangle big(current.upper_left_corner()+(curr2wanted*-factor), current.diagonal()*factor); wanted = big; } else { double factor; if (takex) { factor = current.width()/wanted.width(); } else { factor = current.height()/wanted.height(); awt_assert(takey); } Vector curr2wanted_start(current.upper_left_corner(), wanted.upper_left_corner()); Vector curr2wanted_end(current.lower_right_corner(), wanted.lower_right_corner()); Rectangle big(current.upper_left_corner()+(curr2wanted_start*-factor), current.lower_right_corner()+(curr2wanted_end*-factor)); wanted = big; } } // scroll shift_x_to_fit = takex ? -wanted.start().xpos() : (shift_x_to_fit+worldinfo.l)*trans_to_fit; shift_y_to_fit = takey ? -wanted.start().ypos() : (shift_y_to_fit+worldinfo.t)*trans_to_fit; // scale if ((rect.r-rect.l) max_trans_to_fit) { trans_to_fit = max_trans_to_fit; } // correct scrolling for "dont_fit"-direction if (takex == 0) shift_x_to_fit = (shift_x_to_fit/trans_to_fit)-worldinfo.l; if (takey == 0) shift_y_to_fit = (shift_y_to_fit/trans_to_fit)-worldinfo.t; set_scrollbars(); } inline void nt_draw_zoom_box(AW_device *device, int gc, AW_pos x1, AW_pos y1, AW_pos x2, AW_pos y2 ) { device->box(gc, false, x1, y1, x2-x1, y2-y1, AWT_F_ALL, 0, 0); } inline void nt_draw_zoom_box(AW_device *device, AWT_canvas *ntw) { nt_draw_zoom_box(device, ntw->drag_gc, ntw->zoom_drag_sx, ntw->zoom_drag_sy, ntw->zoom_drag_ex, ntw->zoom_drag_ey); } void AWT_clip_expose(AW_window *aww,AWT_canvas *ntw, int left_border, int right_border, int top_border, int bottom_border, int hor_overlap, int ver_overlap) { AW_device *device = aww->get_device (AW_MIDDLE_AREA); device->set_filter(AW_SCREEN); device->reset(); device->set_top_clip_border(top_border); device->set_bottom_clip_border(bottom_border); device->set_left_clip_border(left_border); device->set_right_clip_border(right_border); device->clear_part(left_border,top_border,right_border-left_border, bottom_border-top_border, -1); GB_transaction dummy(ntw->gb_main); if (ntw->tree_disp->check_update(ntw->gb_main)>0){ ntw->zoom_reset(); } ntw->init_device(device); if ( hor_overlap> 0.0) { device->set_right_clip_border(right_border + hor_overlap); } if ( hor_overlap< 0.0) { device->set_left_clip_border(left_border + hor_overlap); } if ( ver_overlap> 0.0) { device->set_bottom_clip_border(bottom_border + ver_overlap); } if ( ver_overlap< 0.0) { device->set_top_clip_border(top_border + ver_overlap); } ntw->tree_disp->show(device); } void AWT_expose_cb(AW_window *dummy,AWT_canvas *ntw, AW_CL){ AWUSE(dummy); ntw->refresh(); } void AWT_canvas::refresh( void ) { AW_device *device = this->aww->get_device (AW_MIDDLE_AREA); device->clear(-1); AWT_clip_expose(this->aww, this, this->rect.l, this->rect.r, this->rect.t, this->rect.b,0,0); } void AWT_resize_cb(AW_window *dummy,AWT_canvas *ntw, AW_CL) { AWUSE(dummy); ntw->zoom_reset(); AWT_expose_cb(ntw->aww, ntw, 0); } void AWT_focus_cb(AW_window *dummy,AWT_canvas *ntw){ AWUSE(dummy); if (!ntw->gb_main) return; ntw->tree_disp->push_transaction(ntw->gb_main); int flags = ntw->tree_disp->check_update(ntw->gb_main); if (flags){ ntw->recalc_size(); ntw->refresh(); } ntw->tree_disp->pop_transaction(ntw->gb_main); } static bool handleZoomEvent(AW_window *aww, AWT_canvas *ntw, AW_device *device, const AW_event& event) { bool handled = false; bool zoomIn = true; if (event.button == AWT_M_LEFT) { handled = true; } else if (event.button == AWT_M_RIGHT) { handled = true; zoomIn = false; } if (handled) { if (event.type == AW_Mouse_Press) { ntw->drag = 1; ntw->zoom_drag_sx = ntw->zoom_drag_ex = event.x; ntw->zoom_drag_sy = ntw->zoom_drag_ey = event.y; } else { /* delete last box */ nt_draw_zoom_box(device, ntw); ntw->drag = 0; Rectangle screen(ntw->rect); Rectangle drag(ntw->zoom_drag_sx, ntw->zoom_drag_sy, ntw->zoom_drag_ex, ntw->zoom_drag_ey); ntw->zoom(device, zoomIn, drag, screen); AWT_expose_cb(aww, ntw, 0); } } return handled; } void AWT_input_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2) { AWUSE(cd2); AW_event event; AW_device *device, *click_device; aww->get_event( &event ); device = aww->get_device (AW_MIDDLE_AREA ); device->set_filter(AW_SCREEN); device->reset(); ntw->tree_disp->exports.clear(); if (ntw->gb_main) ntw->tree_disp->push_transaction(ntw->gb_main); ntw->tree_disp->check_update(ntw->gb_main); /*** here appear all modes which must be handled right here ***/ bool event_handled = false; if (ntw->mode == AWT_MODE_ZOOM) { // zoom mode is identical for all applications, so handle it here event_handled = handleZoomEvent(aww, ntw, device, event); } if (!event_handled) { click_device = aww->get_click_device (AW_MIDDLE_AREA,event.x, event.y, AWT_CATCH_LINE, AWT_CATCH_TEXT, 0); click_device->set_filter(AW_CLICK); device->set_filter(AW_SCREEN); ntw->init_device(click_device); ntw->init_device(device); ntw->tree_disp->show(click_device); click_device->get_clicked_line(&ntw->clicked_line); click_device->get_clicked_text(&ntw->clicked_text); ntw->tree_disp->command(device, ntw->mode, event.button, event.keymodifier, event.keycode, event.character, event.type, event.x, event.y, &ntw->clicked_line, &ntw->clicked_text ); if (ntw->tree_disp->exports.save ) { // save it GB_ERROR error = ntw->tree_disp->save(ntw->gb_main, 0,0,0); if (error) { aw_message(error); ntw->tree_disp->load(ntw->gb_main, 0,0,0); } } if (ntw->gb_main) { ntw->tree_disp->update(ntw->gb_main); } if (ntw->tree_disp->exports.zoom_reset) { ntw->zoom_reset(); ntw->refresh(); } else if (ntw->tree_disp->exports.resize) { ntw->recalc_size(); ntw->refresh(); } else if (ntw->tree_disp->exports.refresh) { ntw->refresh(); } } ntw->zoom_drag_ex = event.x; ntw->zoom_drag_ey = event.y; if (ntw->gb_main) { ntw->tree_disp->pop_transaction(ntw->gb_main); } } void AWT_canvas::set_dragEndpoint(int dragx, int dragy) { bool fit_proportional = false; if (tree_disp) { bool dont_fit_x = tree_disp->exports.dont_fit_x; bool dont_fit_y = tree_disp->exports.dont_fit_y; if (tree_disp->exports.dont_fit_larger) { AW_pos width = worldinfo.r-worldinfo.l; AW_pos height = worldinfo.b-worldinfo.t; if (width>height) { // like dont_fit_x = 1; dont_fit_y = 0; dont_fit_x = true; } else { // like dont_fit_y = 1; dont_fit_x = 0; dont_fit_y = true; } } if (dont_fit_y) { zoom_drag_sy = rect.t; zoom_drag_ey = rect.b-1; zoom_drag_ex = dragx; } else if (dont_fit_x) { zoom_drag_sx = rect.l; zoom_drag_ex = rect.r-1; zoom_drag_ey = dragy; } else { fit_proportional = true; } } else { fit_proportional = true; } if (fit_proportional) { zoom_drag_ex = dragx; zoom_drag_ey = dragy; int drag_sx = zoom_drag_ex-zoom_drag_sx; int drag_sy = zoom_drag_ey-zoom_drag_sy; bool correct_x = false; bool correct_y = false; double factor; int scr_sx = rect.r-rect.l; int scr_sy = rect.b-rect.t; if (drag_sx == 0) { if (drag_sy != 0) { factor = double(drag_sy)/scr_sy; correct_x = true; } } else { if (drag_sy == 0) { factor = double(drag_sx)/scr_sx; correct_y = true; } else { double facx = double(drag_sx)/scr_sx; double facy = double(drag_sy)/scr_sy; if (fabs(facx)>fabs(facy)) { factor = facx; correct_y = true; } else { factor = facy; correct_x = true; } } } if (correct_x) { int width = int(scr_sx*factor) * ((drag_sx*drag_sy) < 0 ? -1 : 1); zoom_drag_ex = zoom_drag_sx+width; } else if (correct_y) { int height = int(scr_sy*factor) * ((drag_sx*drag_sy) < 0 ? -1 : 1); zoom_drag_ey = zoom_drag_sy+height; } } } void AWT_motion_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2) { AWUSE(cd2); AW_event event; AW_device *device,*click_device; int dx, dy; device = aww->get_device (AW_MIDDLE_AREA ); device->reset(); device->set_filter(AW_SCREEN); if (ntw->gb_main) ntw->tree_disp->push_transaction(ntw->gb_main); aww->get_event( &event ); if (event.button == AWT_M_MIDDLE) { // shift display in ALL modes dx = event.x - ntw->zoom_drag_ex; dy = event.y - ntw->zoom_drag_ey; ntw->zoom_drag_ex = event.x; ntw->zoom_drag_ey = event.y; /* display */ ntw->scroll(aww, -dx *3, -dy *3); } else { bool run_command = true; if (event.button == AWT_M_LEFT || event.button == AWT_M_RIGHT) { switch (ntw->mode) { case AWT_MODE_ZOOM: nt_draw_zoom_box(device, ntw); ntw->set_dragEndpoint(event.x, event.y); nt_draw_zoom_box(device, ntw); run_command = false; break; case AWT_MODE_SWAP2: if (event.button == AWT_M_RIGHT) break; // fall-through case AWT_MODE_MOVE: ntw->init_device(device); click_device = aww->get_click_device (AW_MIDDLE_AREA, event.x, event.y, AWT_CATCH_LINE, AWT_CATCH_TEXT, 0); click_device->set_filter(AW_CLICK_DRAG); ntw->init_device(click_device); ntw->tree_disp->show(click_device); click_device->get_clicked_line(&ntw->clicked_line); click_device->get_clicked_text(&ntw->clicked_text); run_command = false; break; default : break; } } if (run_command) { ntw->init_device(device); ntw->tree_disp->command(device, ntw->mode, event.button, event.keymodifier, event.keycode, event.character, AW_Mouse_Drag, event.x, event.y, &ntw->clicked_line, &ntw->clicked_text ); if (ntw->gb_main) { ntw->tree_disp->update(ntw->gb_main); } } } if (ntw->tree_disp->exports.zoom_reset) { ntw->zoom_reset(); ntw->refresh(); } else if (ntw->tree_disp->exports.resize) { ntw->recalc_size(); ntw->refresh(); } else if (ntw->tree_disp->exports.refresh) { ntw->refresh(); } if (ntw->gb_main) ntw->tree_disp->pop_transaction(ntw->gb_main); } void AWT_canvas::scroll( AW_window *dummy, int dx, int dy, bool dont_update_scrollbars) { AWUSE(dummy); int csx, cdx, cwidth, csy, cdy, cheight; AW_device *device; if (!dont_update_scrollbars) { this->old_hor_scroll_pos += dx; this->set_horizontal_scrollbar_position(aww, this->old_hor_scroll_pos); this->old_vert_scroll_pos += dy; this->set_vertical_scrollbar_position(aww, this->old_vert_scroll_pos); } device = aww->get_device (AW_MIDDLE_AREA); device->set_filter(AW_SCREEN); device->reset(); int screenwidth = this->rect.r-this->rect.l; int screenheight = this->rect.b-this->rect.t; /* compute move area params */ if(dx>0){ csx = dx; cdx = 0; cwidth = screenwidth-dx; }else{ csx = 0; cdx = -dx; cwidth = screenwidth+dx; } if(dy>0){ csy = dy; cdy = 0; cheight = screenheight-dy; }else{ csy = 0; cdy = -dy; cheight = screenheight+dy; } /* move area */ if (!tree_disp->exports.dont_scroll){ device->move_region( csx, csy, cwidth, cheight, cdx, cdy); /* redraw stripes */ this->shift_x_to_fit -= dx/this->trans_to_fit; this->shift_y_to_fit -= dy/this->trans_to_fit; // x-stripe if((int)dx>0){ AWT_clip_expose(aww, this, screenwidth-dx, screenwidth, 0, screenheight, -CLIP_OVERLAP , 0); } if((int)dx<0){ AWT_clip_expose(aww, this, 0, -dx, 0, screenheight, CLIP_OVERLAP,0); } // y-stripe if((int)dy>0){ AWT_clip_expose(aww, this, 0, screenwidth, screenheight-dy, screenheight, 0,-CLIP_OVERLAP); } if((int)dy<0){ AWT_clip_expose(aww, this, 0, screenwidth, 0, -dy, 0, CLIP_OVERLAP); } }else{ // redraw everything /* redraw stripes */ this->shift_x_to_fit -= dx/this->trans_to_fit; this->shift_y_to_fit -= dy/this->trans_to_fit; AWT_expose_cb(aww, this, 0); } this->refresh(); } void AWT_scroll_vert_cb( AW_window *aww, AWT_canvas* ntw, AW_CL cl1) { AWUSE(cl1); int delta_screen_y; int new_vert = aww->slider_pos_vertical; delta_screen_y = (new_vert - ntw->old_vert_scroll_pos) ; ntw->scroll(aww, 0, delta_screen_y, true); ntw->old_vert_scroll_pos = (int)new_vert; } void AWT_scroll_hor_cb( AW_window *aww, AWT_canvas* ntw, AW_CL cl1) { AWUSE(cl1); int delta_screen_x; int new_hor = aww->slider_pos_horizontal; delta_screen_x = (new_hor - ntw->old_hor_scroll_pos) ; ntw->scroll(aww, delta_screen_x, 0, true); ntw->old_hor_scroll_pos = new_hor; } AWT_canvas::AWT_canvas(GBDATA *gb_maini, AW_window *awwi, AWT_graphic *awd, AW_gc_manager &set_gc_manager, const char *user_awari) : user_awar(strdup(user_awari)) , shift_x_to_fit(0) , shift_y_to_fit(0) , gb_main(gb_maini) , aww(awwi) , awr(aww->get_root()) , tree_disp(awd) , gc_manager(tree_disp->init_devices(aww, aww->get_device (AW_MIDDLE_AREA), this, (AW_CL)0)) , drag_gc(aww->main_drag_gc) , mode(AWT_MODE_NONE) { tree_disp->drag_gc = drag_gc; set_gc_manager = gc_manager; memset((char *)&clicked_line,0,sizeof(clicked_line)); memset((char *)&clicked_text,0,sizeof(clicked_text)); AWT_resize_cb(aww, this, 0); aww->set_expose_callback (AW_MIDDLE_AREA, (AW_CB)AWT_expose_cb, (AW_CL)this, 0); aww->set_resize_callback (AW_MIDDLE_AREA,(AW_CB)AWT_resize_cb, (AW_CL)this, 0); aww->set_input_callback (AW_MIDDLE_AREA,(AW_CB)AWT_input_event,(AW_CL)this, 0 ); aww->set_focus_callback ((AW_CB)AWT_focus_cb,(AW_CL)this, 0 ); aww->set_motion_callback (AW_MIDDLE_AREA,(AW_CB)AWT_motion_event,(AW_CL)this, 0 ); aww->set_horizontal_change_callback((AW_CB)AWT_scroll_hor_cb,(AW_CL)this, 0 ); aww->set_vertical_change_callback((AW_CB)AWT_scroll_vert_cb,(AW_CL)this, 0 ); } // -------------------- // AWT_graphic // -------------------- AWT_graphic::AWT_graphic(void) { exports.init(); } AWT_graphic::~AWT_graphic(void) { } void AWT_graphic::pop_transaction(GBDATA *gb_main) { GB_pop_transaction(gb_main); } void AWT_graphic::push_transaction(GBDATA *gb_main) { GB_push_transaction(gb_main); } void AWT_graphic::command(AW_device *, AWT_COMMAND_MODE, int, AW_key_mod, AW_key_code, char, AW_event_type, AW_pos, AW_pos, AW_clicked_line *, AW_clicked_text *) { } void AWT_graphic::text(AW_device */*device*/, char */*text*/) { } // -------------------------- // AWT_nonDB_graphic // -------------------------- AWT_nonDB_graphic::~AWT_nonDB_graphic() {} GB_ERROR AWT_nonDB_graphic::load(GBDATA *, const char *, AW_CL, AW_CL) { return "AWT_nonDB_graphic cannot be loaded"; } GB_ERROR AWT_nonDB_graphic::save(GBDATA *, const char *, AW_CL, AW_CL) { return "AWT_nonDB_graphic cannot be saved"; } int AWT_nonDB_graphic::check_update(GBDATA *) { #if defined(DEBUG) printf("AWT_nonDB_graphic can't be check for update\n"); #endif // DEBUG return -1; } void AWT_nonDB_graphic::update(GBDATA *) { #if defined(DEBUG) printf("AWT_nonDB_graphic can't be updated\n"); #endif // DEBUG } ./arbsrc_9167/AWT/awt_canvas.hxx0000644012664100000130000001731111440742777016471 0ustar arb_buildcoders#ifndef AWT_CANVAS_HXX #define AWT_CANVAS_HXX #ifndef AW_ROOT_HXX #include #endif #ifndef AW_POSITION_HXX #include #endif #ifndef AW_WINDOW_HXX #include #endif class AWT_canvas; class AW_device; class AW_clicked_line; class AW_clicked_text; typedef enum { AWT_MODE_NONE, AWT_MODE_SELECT, AWT_MODE_MARK, AWT_MODE_GROUP, AWT_MODE_ZOOM, // no command AWT_MODE_LZOOM, AWT_MODE_MOD, // species info AWT_MODE_WWW, AWT_MODE_LINE, AWT_MODE_ROT, AWT_MODE_SPREAD, AWT_MODE_SWAP, AWT_MODE_LENGTH, AWT_MODE_SWAP2, AWT_MODE_MOVE, AWT_MODE_SETROOT, AWT_MODE_RESET, AWT_MODE_KERNINGHAN, AWT_MODE_NNI, AWT_MODE_OPTIMIZE, AWT_MODE_PROINFO, AWT_MODE_STRETCH } AWT_COMMAND_MODE; class AWT_graphic_exports { public: unsigned int zoom_reset:1; unsigned int resize:1; unsigned int refresh:1; unsigned int save:1; unsigned int structure_change:1; // maybe useless unsigned int dont_fit_x:1; unsigned int dont_fit_y:1; unsigned int dont_fit_larger:1; // if xsize>ysize -> dont_fit_x (otherwise dont_fit_y) unsigned int dont_scroll:1; void init(void); // like clear, but resets fit/scroll state void clear(void); short left_offset; short right_offset; short top_offset; short bottom_offset; }; class AWT_graphic { friend class AWT_canvas; protected: AW_rectangle extends; int drag_gc; public: AWT_graphic_exports exports; AWT_graphic(); virtual ~AWT_graphic(); // pure virtual interface (methods implemented by AWT_nonDB_graphic) virtual GB_ERROR load(GBDATA *gb_main, const char *name, AW_CL cd1, AW_CL cd2) = 0; virtual GB_ERROR save(GBDATA *gb_main, const char *name, AW_CL cd1, AW_CL cd2) = 0; virtual int check_update(GBDATA *gb_main) = 0; // check whether anything changed virtual void update(GBDATA *gb_main) = 0; // mark the database // pure virtual interface (rest) virtual void show(AW_device *device) = 0; virtual void info(AW_device *device, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct) = 0; /* double click */ virtual AW_gc_manager init_devices(AW_window *, AW_device *, AWT_canvas *ntw, AW_CL cd2) = 0; /* init gcs, if any gc is changed you may call AWT_expose_cb(aw_window, ntw, cd2); or AWT_resize_cb(aw_window, ntw, cd2); The function may return a pointer to a preset window */ // implemented interface (most are dummies doing nothing): virtual void push_transaction(GBDATA *gb_main); virtual void pop_transaction(GBDATA *gb_main); virtual void command(AW_device *device, AWT_COMMAND_MODE cmd, int button, AW_key_mod key_modifier, AW_key_code key_code, char key_char, AW_event_type type, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct); virtual void text(AW_device *device, char *text); }; // a partly implementation of AWT_graphic class AWT_nonDB_graphic : public AWT_graphic { public: AWT_nonDB_graphic() {} virtual ~AWT_nonDB_graphic(); // dummy functions, only spittings out warnings: GB_ERROR load(GBDATA *gb_main, const char *name, AW_CL cd1, AW_CL cd2) __ATTR__USERESULT; GB_ERROR save(GBDATA *gb_main, const char *name, AW_CL cd1, AW_CL cd2) __ATTR__USERESULT; int check_update(GBDATA *gb_main); void update(GBDATA *gb_main); }; #define EPS 0.0001 /*div zero check*/ #define AWT_F_ALL ((AW_active)-1) #define CLIP_OVERLAP 15 #define AWT_CATCH_LINE 50 /*pixel*/ #define AWT_CATCH_TEXT 5 /*pixel*/ #define AWT_ZOOM_OUT_STEP 40 /* (pixel) rand um screen */ #define AWT_MIN_WIDTH 100 /* Minimum center screen (= screen-offset) */ enum { AWT_M_LEFT = 1, AWT_M_MIDDLE = 2, AWT_M_RIGHT = 3 }; enum { AWT_d_screen = 1 }; class AWT_canvas { public: /** too many callbacks -> public **/ /** in fact: private **/ char *user_awar; void init_device(AW_device *device); AW_pos trans_to_fit; AW_pos shift_x_to_fit; AW_pos shift_y_to_fit; int old_hor_scroll_pos; int old_vert_scroll_pos; AW_rectangle rect; // screen coordinates AW_world worldinfo; // real coordinates without transform. AW_world worldsize; int zoom_drag_sx; int zoom_drag_sy; int zoom_drag_ex; int zoom_drag_ey; int drag; AW_clicked_line clicked_line; AW_clicked_text clicked_text; void set_scrollbars(); void set_dragEndpoint(int x, int y); void set_horizontal_scrollbar_position(AW_window *aww, int pos); void set_vertical_scrollbar_position(AW_window *aww, int pos); /************* Read only public section : ************/ GBDATA *gb_main; AW_window *aww; AW_root *awr; AWT_graphic *tree_disp; AW_gc_manager gc_manager; int drag_gc; AWT_COMMAND_MODE mode; /** the real public section **/ AWT_canvas(GBDATA *gb_main, AW_window *aww, AWT_graphic *awd, AW_gc_manager &gc_manager, const char *user_awar); // gc_manager is the preset window void refresh(); void recalc_size(); // Calculate the size of the sb void zoom_reset(); // Calculate all void zoom(AW_device *device, bool zoomIn, const AW::Rectangle& wanted_part, const AW::Rectangle& current_part); void set_mode(AWT_COMMAND_MODE mo) { mode = mo; } void scroll(AW_window *aww, int delta_x, int delta_y, bool dont_update_scrollbars = false); void scroll(AW_window *aw, const AW::Vector& delta, bool dont_update_scrollbars = false) { scroll(aw, int(delta.x()), int(delta.y()), dont_update_scrollbars); } }; void AWT_input_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2); void AWT_motion_event(AW_window *aww, AWT_canvas *ntw, AW_CL cd2); void AWT_expose_cb(AW_window *dummy,AWT_canvas *ntw, AW_CL cl2); void AWT_resize_cb(AW_window *dummy, AWT_canvas *ntw, AW_CL cl2); #define AWAR_PRINT_TREE "NT/print/" #define AWAR_PRINT_TREE_LANDSCAPE AWAR_PRINT_TREE "landscape" #define AWAR_PRINT_TREE_MAGNIFICATION AWAR_PRINT_TREE "magnification" #define AWAR_PRINT_TREE_CLIP AWAR_PRINT_TREE "clip" #define AWAR_PRINT_TREE_HANDLES AWAR_PRINT_TREE "handles" #define AWAR_PRINT_TREE_COLOR AWAR_PRINT_TREE "color" #define AWAR_PRINT_TREE_DEST AWAR_PRINT_TREE "dest" #define AWAR_PRINT_TREE_PRINTER AWAR_PRINT_TREE "printer" #define AWAR_PRINT_TREE_OVERLAP AWAR_PRINT_TREE "overlap" #define AWAR_PRINT_TREE_OVERLAP_AMOUNT AWAR_PRINT_TREE "amount" #define AWAR_PRINT_TREE_TMP "tmp/" AWAR_PRINT_TREE #define AWAR_PRINT_TREE_GSIZEX AWAR_PRINT_TREE_TMP "gsizex" // graphic size #define AWAR_PRINT_TREE_GSIZEY AWAR_PRINT_TREE_TMP "gsizey" #define AWAR_PRINT_TREE_PSIZEX AWAR_PRINT_TREE_TMP "psizex" // print size #define AWAR_PRINT_TREE_PSIZEY AWAR_PRINT_TREE_TMP "psizey" #define AWAR_PRINT_TREE_SIZEX AWAR_PRINT_TREE_TMP "sizex" // size in pages #define AWAR_PRINT_TREE_SIZEY AWAR_PRINT_TREE_TMP "sizey" #define AWAR_PRINT_TREE_PAGES AWAR_PRINT_TREE_TMP "pages" #define AWAR_PRINT_TREE_FILE_BASE AWAR_PRINT_TREE_TMP "file" #define AWAR_PRINT_TREE_FILE_NAME AWAR_PRINT_TREE_FILE_BASE "/file_name" #define AWAR_PRINT_TREE_FILE_DIR AWAR_PRINT_TREE_FILE_BASE "/directory" #define AWAR_PRINT_TREE_FILE_FILTER AWAR_PRINT_TREE_FILE_BASE "/filter" void AWT_popup_tree_export_window(AW_window *parent_win, AW_CL cl_canvas, AW_CL); void AWT_popup_sec_export_window (AW_window *parent_win, AW_CL cl_canvas, AW_CL); void AWT_popup_print_window (AW_window *parent_win, AW_CL cl_canvas, AW_CL); #endif ./arbsrc_9167/AWT/AWT_changekey.cxx0000644012664100000130000002327711440742777017017 0ustar arb_buildcoders// ==================================================================== // // // // File : AWT_changekey.cxx // // Purpose : changekey management // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2005 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include #include #include #include #include #include #include "awt.hxx" #include "awt_item_sel_list.hxx" static const char GENE_DATA_PATH[] = "gene_data/gene/"; static const char EXPERIMENT_DATA_PATH[] = "experiment_data/experiment/"; #define GENE_DATA_PATH_LEN (sizeof(GENE_DATA_PATH)-1) #define EXPERIMENT_DATA_PATH_LEN (sizeof(EXPERIMENT_DATA_PATH)-1) inline bool is_in_GENE_path(const char *fieldpath) { return strncmp(fieldpath, GENE_DATA_PATH, GENE_DATA_PATH_LEN) == 0; } inline bool is_in_EXPERIMENT_path(const char *fieldpath) { return strncmp(fieldpath, EXPERIMENT_DATA_PATH, EXPERIMENT_DATA_PATH_LEN) == 0; } inline bool is_in_reserved_path(const char *fieldpath) { return is_in_GENE_path(fieldpath) || is_in_EXPERIMENT_path(fieldpath); } // -------------------------------------------------------------------------------- static void awt_delete_unused_changekeys(GBDATA *gb_main, const char **names, const char *change_key_path) { // deletes all keys from 'change_key_path' which are not listed in 'names' GBDATA *gb_key_data = GB_search(gb_main, change_key_path, GB_CREATE_CONTAINER); GBDATA *gb_key = gb_key_data ? GB_entry(gb_key_data, CHANGEKEY) : 0; while (gb_key) { bool found = false; int key_type = *GBT_read_int(gb_key, CHANGEKEY_TYPE); const char *key_name = GBT_read_char_pntr(gb_key, CHANGEKEY_NAME); for (const char **name = names; *name; ++name) { if (strcmp(key_name, (*name)+1) == 0) { // key with this name exists if (key_type == (*name)[0]) { found = true; } // otherwise key exists, but type mismatches = > delete this key break; } } awt_assert(GB_has_key(gb_key, CHANGEKEY)); GBDATA *gb_next_key = GB_nextEntry(gb_key); if (!found) { if (key_type == GB_DB) { // it's a container // test if any subkey is used int keylen = strlen(key_name); for (const char **name = names; *name; ++name) { const char *n = (*name)+1; if (strncmp(key_name, n, keylen) == 0 && n[keylen] == '/') { // found a subkey -> do not delete found = true; break; } } } if (!found) { // key no longer exists = > delete from key list GB_delete(gb_key); } } gb_key = gb_next_key; } } static void awt_show_all_changekeys(GBDATA *gb_main, const char *change_key_path) { GBDATA *gb_key_data = GB_search(gb_main, change_key_path, GB_CREATE_CONTAINER); for (GBDATA *gb_key = gb_key_data ? GB_entry(gb_key_data, CHANGEKEY) : 0; gb_key; gb_key = GB_nextEntry(gb_key)) { GBDATA *gb_key_hidden = GB_entry(gb_key, CHANGEKEY_HIDDEN); if (gb_key_hidden) { if (GB_read_int(gb_key_hidden)) GB_write_int(gb_key_hidden, 0); // unhide } } } void awt_selection_list_rescan(GBDATA *gb_main, long bitfilter, awt_rescan_mode mode) { GB_push_transaction(gb_main); char **names; char **name; GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); names = GBT_scan_db(gb_species_data, 0); if (mode & AWT_RS_DELETE_UNUSED_FIELDS) awt_delete_unused_changekeys(gb_main, const_cast(names), CHANGE_KEY_PATH); if (mode & AWT_RS_SHOW_ALL) awt_show_all_changekeys(gb_main, CHANGE_KEY_PATH); if (mode & AWT_RS_SCAN_UNKNOWN_FIELDS) { GBT_add_new_changekey(gb_main,"name",GB_STRING); GBT_add_new_changekey(gb_main,"acc",GB_STRING); GBT_add_new_changekey(gb_main,"full_name",GB_STRING); GBT_add_new_changekey(gb_main,"group_name",GB_STRING); GBT_add_new_changekey(gb_main,"tmp",GB_STRING); for (name = names; *name; name++) { if ( (1<<(**name)) & bitfilter ) { // look if already exists if (!is_in_reserved_path((*name)+1)) { // ignore gene, experiment, ... entries GBT_add_new_changekey(gb_main,(*name)+1,(int)*name[0]); } } } } GBT_free_names(names); GB_pop_transaction(gb_main); } void awt_gene_field_selection_list_rescan(GBDATA *gb_main, long bitfilter, awt_rescan_mode mode) { GB_push_transaction(gb_main); char **names; char **name; GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); names = GBT_scan_db(gb_species_data, GENE_DATA_PATH); if (mode & AWT_RS_DELETE_UNUSED_FIELDS) awt_delete_unused_changekeys(gb_main, const_cast(names), CHANGE_KEY_PATH_GENES); if (mode & AWT_RS_SHOW_ALL) awt_show_all_changekeys(gb_main, CHANGE_KEY_PATH_GENES); if (mode & AWT_RS_SCAN_UNKNOWN_FIELDS) { GBT_add_new_gene_changekey(gb_main,"name", GB_STRING); GBT_add_new_gene_changekey(gb_main,"pos_start", GB_STRING); GBT_add_new_gene_changekey(gb_main,"pos_stop", GB_STRING); GBT_add_new_gene_changekey(gb_main,"pos_complement", GB_STRING); GBT_add_new_gene_changekey(gb_main,"pos_joined", GB_INT); GBT_add_new_gene_changekey(gb_main,"pos_certain", GB_STRING); for (name = names; *name; name++) { if ( (1<<(**name)) & bitfilter ) { // look if already exists GBT_add_new_gene_changekey(gb_main,(*name)+1,(int)*name[0]); } } } GBT_free_names(names); GB_pop_transaction(gb_main); } void awt_experiment_field_selection_list_rescan(GBDATA *gb_main, long bitfilter, awt_rescan_mode mode) { GB_push_transaction(gb_main); char **names; char **name; GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); names = GBT_scan_db(gb_species_data, EXPERIMENT_DATA_PATH); if (mode & AWT_RS_DELETE_UNUSED_FIELDS) awt_delete_unused_changekeys(gb_main, const_cast(names), CHANGE_KEY_PATH_EXPERIMENTS); if (mode & AWT_RS_SHOW_ALL) awt_show_all_changekeys(gb_main, CHANGE_KEY_PATH_EXPERIMENTS); if (mode & AWT_RS_SCAN_UNKNOWN_FIELDS) { GBT_add_new_experiment_changekey(gb_main,"name", GB_STRING); for (name = names; *name; name++) { if ( (1<<(**name)) & bitfilter ) { // look if already exists if (is_in_EXPERIMENT_path((*name)+1)) { GBT_add_new_experiment_changekey(gb_main,(*name)+1+EXPERIMENT_DATA_PATH_LEN,(int)*name[0]); } } } } GBT_free_names(names); GB_pop_transaction(gb_main); } void awt_selection_list_scan_unknown_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_selection_list_rescan(gb_main,bitfilter, AWT_RS_SCAN_UNKNOWN_FIELDS); } void awt_selection_list_delete_unused_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_selection_list_rescan(gb_main,bitfilter, AWT_RS_DELETE_UNUSED_FIELDS); } void awt_selection_list_unhide_all_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_selection_list_rescan(gb_main,bitfilter, AWT_RS_SHOW_ALL); } void awt_selection_list_update_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_selection_list_rescan(gb_main,bitfilter, AWT_RS_UPDATE_FIELDS); } void awt_gene_field_selection_list_scan_unknown_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_gene_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_SCAN_UNKNOWN_FIELDS); } void awt_gene_field_selection_list_delete_unused_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_gene_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_DELETE_UNUSED_FIELDS); } void awt_gene_field_selection_list_unhide_all_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_gene_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_SHOW_ALL); } void awt_gene_field_selection_list_update_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_gene_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_UPDATE_FIELDS); } void awt_experiment_field_selection_list_scan_unknown_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_experiment_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_SCAN_UNKNOWN_FIELDS); } void awt_experiment_field_selection_list_delete_unused_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_experiment_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_DELETE_UNUSED_FIELDS); } void awt_experiment_field_selection_list_unhide_all_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_experiment_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_SHOW_ALL); } void awt_experiment_field_selection_list_update_cb(AW_window *,GBDATA *gb_main, long bitfilter) { awt_experiment_field_selection_list_rescan(gb_main,bitfilter, AWT_RS_UPDATE_FIELDS); } ./arbsrc_9167/AWT/AWT_codon_table.cxx0000644012664100000130000007212711440742777017330 0ustar arb_buildcoders#include #include #include #include #include "awt_iupac.hxx" #include "awt_codon_table.hxx" // const int AWAR_PROTEIN_TYPE_bacterial_code_index = 8; #define EMBL_BACTERIAL_TABLE_INDEX 11 // Info about translation codes was taken from // http://www.ncbi.nlm.nih.gov/Taxonomy/Utils/wprintgc.cgi struct AWT_Codon_Code_Definition AWT_codon_def[AWT_CODON_TABLES+1] = { // 0000000001111111111222222222233333333334444444444555555555566666 // 1234567890123456789012345678901234567890123456789012345678901234 // "TTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCAAAAAAAAAAAAAAAAGGGGGGGGGGGGGGGG", base1 // "TTTTCCCCAAAAGGGGTTTTCCCCAAAAGGGGTTTTCCCCAAAAGGGGTTTTCCCCAAAAGGGG", base2 // "TCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAG" base3 { " (1) Standard code", "FFLLSSSSYY**CC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", // The first code in this table has to be 'Standard code'! "---M---------------M---------------M----------------------------", 1 }, { " (2) Vertebrate mitochondrial code", "FFLLSSSSYY**CCWWLLLLPPPPHHQQRRRRIIMMTTTTNNKKSS**VVVVAAAADDEEGGGG", "--------------------------------MMMM---------------M------------", 2 }, { " (3) Yeast mitochondrial code", "FFLLSSSSYY**CCWWTTTTPPPPHHQQRRRRIIMMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "----------------------------------MM----------------------------", 3 }, { " (4) Mold/Protozoan/Coelenterate mito. + Mycoplasma/Spiroplasma code", "FFLLSSSSYY**CCWWLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "--MM---------------M------------MMMM---------------M------------", 4 }, { " (5) Invertebrate mitochondrial code", "FFLLSSSSYY**CCWWLLLLPPPPHHQQRRRRIIMMTTTTNNKKSSSSVVVVAAAADDEEGGGG", "---M----------------------------MMMM---------------M------------", 5 }, { " (6) Ciliate, Dasycladacean and Hexamita nuclear code", "FFLLSSSSYYQQCC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "-----------------------------------M----------------------------", 6 }, { " (9) Echinoderm and Flatworm mitochondrial code", "FFLLSSSSYY**CCWWLLLLPPPPHHQQRRRRIIIMTTTTNNNKSSSSVVVVAAAADDEEGGGG", "-----------------------------------M---------------M------------", 9 }, { "(10) Euplotid nuclear code", "FFLLSSSSYY**CCCWLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "-----------------------------------M----------------------------", 10 }, // 0000000001111111111222222222233333333334444444444555555555566666 // 1234567890123456789012345678901234567890123456789012345678901234 // "TTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCAAAAAAAAAAAAAAAAGGGGGGGGGGGGGGGG", base1 // "TTTTCCCCAAAAGGGGTTTTCCCCAAAAGGGGTTTTCCCCAAAAGGGGTTTTCCCCAAAAGGGG", base2 // "TCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAGTCAG" base3 { "(11) Bacterial and Plant Plastid code", "FFLLSSSSYY**CC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "---M---------------M------------MMMM---------------M------------", 11 }, { "(12) Alternative Yeast nuclear code", "FFLLSSSSYY**CC*WLLLSPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "-------------------M---------------M----------------------------", 12 }, { "(13) Ascidian mitochondrial code", "FFLLSSSSYY**CCWWLLLLPPPPHHQQRRRRIIMMTTTTNNKKSSGGVVVVAAAADDEEGGGG", "---M------------------------------MM---------------M------------", 13 }, { "(14) Alternative Flatworm mitochondrial code", "FFLLSSSSYYY*CCWWLLLLPPPPHHQQRRRRIIIMTTTTNNNKSSSSVVVVAAAADDEEGGGG", "-----------------------------------M----------------------------", 14 }, { "(15) Blepharisma nuclear code", "FFLLSSSSYY*QCC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "-----------------------------------M----------------------------", 15 }, { "(16) Chlorophycean mitochondrial code", "FFLLSSSSYY*LCC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "-----------------------------------M----------------------------", 16 }, { "(21) Trematode mitochondrial code", "FFLLSSSSYY**CCWWLLLLPPPPHHQQRRRRIIMMTTTTNNNKSSSSVVVVAAAADDEEGGGG", "-----------------------------------M---------------M------------", 21 }, { "(22) Scenedesmus obliquus mitochondrial code", "FFLLSS*SYY*LCC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "-----------------------------------M----------------------------", 22 }, { "(23) Thraustochytrium mitochondrial code", "FF*LSSSSYY**CC*WLLLLPPPPHHQQRRRRIIIMTTTTNNKKSSRRVVVVAAAADDEEGGGG", "--------------------------------M--M---------------M------------", 23 }, { 0, 0, 0, 0 } // end of table-marker }; #define MAX_EMBL_TRANSL_TABLE_VALUE 23 // maximum known EMBL transl_table value int AWT_embl_transl_table_2_arb_code_nr(int embl_code_nr) { // returns -1 if embl_code_nr is not known by ARB static bool initialized = false; static int arb_code_nr_table[MAX_EMBL_TRANSL_TABLE_VALUE+1]; // key: embl_code_nr, value: arb_code_nr or -1 if (!initialized) { for (int embl = 0; embl <= MAX_EMBL_TRANSL_TABLE_VALUE; ++embl) { arb_code_nr_table[embl] = -1; // illegal table } for (int arb_code_nr = 0; arb_code_nr < AWT_CODON_TABLES; ++arb_code_nr) { arb_code_nr_table[AWT_codon_def[arb_code_nr].embl_feature_transl_table] = arb_code_nr; } // should be index of 'Bacterial and Plant Plastid code' // (otherwise maybe AWAR_PROTEIN_TYPE_bacterial_code_index is wrong) awt_assert(arb_code_nr_table[EMBL_BACTERIAL_TABLE_INDEX] == AWAR_PROTEIN_TYPE_bacterial_code_index); awt_assert(arb_code_nr_table[1] == 0); // Standard code has to be on index zero! initialized = true; } if (embl_code_nr<0 || embl_code_nr>MAX_EMBL_TRANSL_TABLE_VALUE) return -1; int arb_code_nr = arb_code_nr_table[embl_code_nr]; #ifdef DEBUG if (arb_code_nr != -1) { awt_assert(arb_code_nr >= 0 && arb_code_nr < AWT_CODON_TABLES); awt_assert(AWT_arb_code_nr_2_embl_transl_table(arb_code_nr) == embl_code_nr); } #endif return arb_code_nr; } int AWT_arb_code_nr_2_embl_transl_table(int arb_code_nr) { awt_assert(arb_code_nr >= 0 && arb_code_nr=1); memcpy(definite_translation, AWT_codon_def[0].aa, AWT_MAX_CODONS); // only one translation is really definite awt_assert(AWT_codon_def[AWT_CODON_TABLES].aa==NULL); // Error in AWT_codon_def or AWT_CODON_CODES for (code_nr=1; code_nr=0 && idx<4); return "TCAG"[idx]; } inline int calc_codon_nr(const char *dna) { int i1 = dna2idx(dna[0]); int i2 = dna2idx(dna[1]); int i3 = dna2idx(dna[2]); if (i1==4||i2==4||i3==4) return AWT_MAX_CODONS; // is not a codon int codon_nr = i1*16 + i2*4 + i3; awt_assert(codon_nr>=0 && codon_nr<=AWT_MAX_CODONS); return codon_nr; } inline void build_codon(int codon_nr, char *to_buffer) { awt_assert(codon_nr>=0 && codon_nr>4)&3); to_buffer[1] = idx2dna((codon_nr>>2)&3); to_buffer[2] = idx2dna(codon_nr&3); } const char* AWT_get_codon_code_name(int code) { awt_assert(code>=0 && code='A' && protein<='Z'); awt_assert(protein_name[protein-'A']!=0); return protein_name[protein-'A']; } #ifdef DEBUG inline char nextBase(char c) { switch (c) { case 'T': return 'C'; case 'C': return 'A'; case 'A': return 'G'; case 'G': return 0; default: awt_assert(0); } return 0; } void AWT_dump_codons() { AWT_allowedCode allowed_code; for (char c='*'; c<='Z'; c++) { printf("Codes for '%c': ", c); int first_line = 1; int found = 0; for (char b1='T'; b1; b1=nextBase(b1)) { for (char b2='T'; b2; b2=nextBase(b2)) { for (char b3='T'; b3; b3=nextBase(b3)) { char dna[4]; dna[0]=b1; dna[1]=b2; dna[2]=b3; dna[3]=0; AWT_allowedCode allowed_code_left; if (AWT_is_codon(c, dna, allowed_code, allowed_code_left)) { if (!first_line) printf("\n "); first_line = 0; printf("%s (", dna); int first=1; for (int code=0; code= 0 && arb_code_nr=0 && idx=0 && code_nr=0 && i<4; } inline void my_memcpy(char *dest, const char *source, size_t length) { for (size_t l=0; l try behind } if (!found) { my_memcpy(to_buffer, result, 3); to_buffer+=3; added++; } } } } return no_of_condons+added; } int Codon_Group::expand(char *to_buffer) const { int count = 0; int i; char *org_to_buffer = to_buffer; for (i=0; i done count = new_count; #if defined(DEBUG) && 0 to_buffer[0] = 0; printf("codons (expandedMore) = '%s'\n", org_to_buffer); #endif } awt_assert(count==(int(to_buffer-org_to_buffer)/3)); return count; } // -------------------------------------------------------------------------------- static Codon_Group *get_Codon_Group(char protein, int code_nr) { awt_assert(code_nr>=0 && code_nrexpand(buffer); awt_assert(offset= 3); memcpy(result, codons, 3); for (int off = 3; codons[off]; off += 3) { for (int base = 0; base<3; ++base) { result[base] = AWT_iupac_add(result[base], codons[off+base], GB_AT_DNA); } } return result; } static unsigned char protein_index_def[] = "ABCDEFGHIKLMNPQRSTVWXYZ.-*"; static char protein_index[256]; // index of protein in protein_2_iupac_table static bool protein_index_initialized = 0; // #define PROTEIN_TABLE_SIZE (26-3+3) // all chars - "JOU" + ".-*" #define PROTEIN_TABLE_SIZE sizeof(protein_index_def) static void initialize_protein_index() { memset(protein_index, char(-1), sizeof(protein_index)); for (int i = 0; protein_index_def[i]; ++i) { protein_index[protein_index_def[i]] = protein_index[tolower(protein_index_def[i])] = i*3; } protein_index_initialized = true; } static int protein_2_iupac_tables_initialized_4_code = -1; static char protein_2_iupac_table[3*PROTEIN_TABLE_SIZE]; static void initialize_protein_2_iupac_tables(int code_nr) { if (!protein_index_initialized) initialize_protein_index(); if (!codon_tables_initialized) AWT_initialize_codon_tables(); memset(protein_2_iupac_table, 0, sizeof(protein_2_iupac_table)); for (int i = 0; protein_index_def[i]; ++i) { char c = protein_index_def[i]; const char *expanded = AWT_get_protein_iupac(c, code_nr); size_t off = i*3; for (int j = 0; j<3; ++j) { protein_2_iupac_table[off+j] = expanded[j]; // write to table } } protein_2_iupac_tables_initialized_4_code = code_nr; } // -------------------------------------------------------------------------------- // converts a protein sequence to a DNA sequence containing IUPAC codes // Example for standard code : // 'ABCZ' -> 'GCN RAY TGY SRN' // if prot_len == 0 -> prot_len gets calculated char *AWT_proteinSeq_2_iupac(const char *proteinSeq, size_t prot_len, int code_nr) { if (protein_2_iupac_tables_initialized_4_code != code_nr) { initialize_protein_2_iupac_tables(code_nr); } if (prot_len == 0) prot_len = strlen(proteinSeq); size_t dna_len = prot_len*3; char *result = (char*)malloc(dna_len+1); size_t didx = 0; for (size_t pidx = 0; pidx #endif // -------------------------------------------------------------------------------- struct AWT_Codon_Code_Definition { const char *name; const char *aa; // amino-codes const char *starts; int embl_feature_transl_table; // number of transl_table-entry in EMBL/GENEBANK features list }; #define AWT_CODON_TABLES 17 // number of different Amino-Translation-Tables #define AWT_MAX_CODONS 64 // maximum of possible codon (= 4^3) extern struct AWT_Codon_Code_Definition AWT_codon_def[AWT_CODON_TABLES+1]; const int AWAR_PROTEIN_TYPE_bacterial_code_index = 8; // contains the index of the bacterial code table // -------------------------------------------------------------------------------- class AWT_allowedCode { char allowed[AWT_CODON_TABLES]; void copy(const AWT_allowedCode& other) { for (int a=0; a=AWT_CODON_TABLES) { *((char*)0)=0; // throw exception } } public: AWT_allowedCode() { set(1); } AWT_allowedCode(const AWT_allowedCode& other) { copy(other); } AWT_allowedCode& operator=(const AWT_allowedCode& other) { copy(other); return *this; } int is_allowed(int nr) const { legal(nr); return allowed[nr]!=0; } void allow(int nr) { legal(nr); allowed[nr]=1; } void forbid(int nr) { legal(nr); allowed[nr]=0; } void forbidAll() { set(0); } void allowAll() { set(1); } void forbidAllBut(int nr) { legal(nr); for (int a=0; a #include #include #include using namespace std; // -------------------------------- // class AWT_configuration // -------------------------------- class AWT_configuration { private: string id; AWT_store_config_to_string store; AWT_load_config_from_string load; AW_CL client1; // client data AW_CL client2; AW_window *last_client_aww; AW_default default_file; public: AWT_configuration(AW_window *aww, AW_default default_file_, const char *id_, AWT_store_config_to_string store_, AWT_load_config_from_string load_, AW_CL cl1, AW_CL cl2) { id = id_; store = store_; load = load_; client1 = cl1; client2 = cl2; last_client_aww = aww; default_file = default_file_; } virtual ~AWT_configuration() {} bool operator<(const AWT_configuration& other) const { return idget_root(); string awar_name = get_awar_name(subname); char *value = aw_root->awar_string(awar_name.c_str(), default_value, default_file)->read_string(); string result = value; free(value); return result; } void set_awar_value(const string& subname, const string& new_value) const { AW_root *aw_root = last_client_aww->get_root(); aw_root->awar_string(get_awar_name(subname).c_str(), "")->write_string(new_value.c_str()); } char *Store() const { return store(last_client_aww, client1, client2); } void Restore(const string& s) const { return load(last_client_aww, s.c_str(), client1, client2); } }; // --------------------------------------------------------------------------------- // void remove_from_configs(const string& config, string& existing_configs) // --------------------------------------------------------------------------------- void remove_from_configs(const string& config, string& existing_configs) { size_t start = -1U; printf("erasing '%s' from '%s'\n", config.c_str(), existing_configs.c_str()); while (1) { start = existing_configs.find(config, start+1); if (start == string::npos) break; // not found if (start == 0 || existing_configs[start-1] == ';') { // config starts with string size_t stop = start+config.length(); if (stop != existing_configs.length()) { if (stop>existing_configs.length()) break; // not found if (existing_configs[stop] != ';') continue; // name continues } existing_configs.erase(start, stop-start+1); if (existing_configs[existing_configs.length()-1] == ';') { existing_configs.erase(existing_configs.length()-1); } remove_from_configs(config, existing_configs); break; } } #if defined(DEBUG) printf("result: '%s'\n", existing_configs.c_str()); #endif // DEBUG } // --------------------------------------------------------- // static char *correct_key_name(const char *name) // --------------------------------------------------------- static char *correct_key_name(const char *name) { char *corrected = GBS_string_2_key(name); if (strcmp(corrected, "__") == 0) freedup(corrected, ""); return corrected; } // ------------------------------------------------------------------------------ // static void AWT_start_config_manager(AW_window *aww, AW_CL cl_config) // ------------------------------------------------------------------------------ static void AWT_start_config_manager(AW_window *aww, AW_CL cl_config) { AWT_configuration *config = (AWT_configuration*)cl_config; string existing_configs = config->get_awar_value("existing"); config->get_awar_value("current"); // create! bool reopen = false; char *title = GBS_global_string_copy("Configurations for '%s'", aww->window_name); const char *buttons = "RESTORE,STORE,DELETE,CLOSE,HELP"; char *result = aw_string_selection2awar(title, "Enter a new or select an existing config", config->get_awar_name("current").c_str(), existing_configs.c_str(), buttons, correct_key_name); int button = aw_string_selection_button(); if (button >= 0 && button <= 2) { // RESTORE, STORE and DELETE if (!result || !result[0]) { // did user specify a config-name ? aw_message("Please enter or select a config"); } else { string awar_name = string("cfg_")+result; switch (button) { case 0: { // RESTORE config->Restore(config->get_awar_value(awar_name)); config->set_awar_value("current", result); break; } case 1: { // STORE remove_from_configs(result, existing_configs); // remove existing config if (existing_configs.length()) existing_configs = string(result)+';'+existing_configs; else existing_configs = result; char *config_string = config->Store(); config->set_awar_value(awar_name, config_string); free(config_string); config->set_awar_value("current", result); config->set_awar_value("existing", existing_configs); reopen = true; break; } case 2: { // DELETE remove_from_configs(result, existing_configs); // remove existing config config->set_awar_value("current", ""); config->set_awar_value("existing", existing_configs); // config is not really deleted from properties reopen = true; break; } } } } else { if (button == 4) { // HELP AW_POPUP_HELP(aww, (AW_CL)"configurations.hlp"); } } free(title); free(result); // if (reopen) AWT_start_config_manager(aww, cl_config); // crashes! } void AWT_insert_config_manager(AW_window *aww, AW_default default_file_, const char *id, AWT_store_config_to_string store_cb, AWT_load_config_from_string load_cb, AW_CL cl1, AW_CL cl2, const char *macro_id) { AWT_configuration *config = new AWT_configuration(aww, default_file_, id, store_cb, load_cb, cl1, cl2); // config will not be freed!!! aww->button_length(0); // -> autodetect size by size of graphic aww->callback(AWT_start_config_manager, (AW_CL)config); aww->create_button(macro_id ? macro_id : "SAVELOAD_CONFIG", "#conf_save.xpm"); } static GB_ERROR decode_escapes(string& s) { string::iterator f = s.begin(); string::iterator t = s.begin(); for (; f != s.end(); ++f, ++t) { if (*f == '\\') { ++f; if (f == s.end()) return GBS_global_string("Trailing \\ in '%s'", s.c_str()); switch (*f) { case 'n': *t = '\n'; break; case 'r': *t = '\r'; break; case 't': *t = '\t'; break; default: *t = *f; break; } } else { *t = *f; } } s.erase(t, f); return 0; } static void encode_escapes(string& s, const char *to_escape) { string neu; neu.reserve(s.length()*2+1); for (string::iterator p = s.begin(); p != s.end(); ++p) { if (*p == '\\' || strchr(to_escape, *p) != 0) { neu = neu+'\\'+*p; } else if (*p == '\n') { neu = neu+"\\n"; } else if (*p == '\r') { neu = neu+"\\r"; } else if (*p == '\t') { neu = neu+"\\t"; } else { neu = neu+*p; } } s = neu; } typedef map config_map; struct AWT_config_mapping { config_map cmap; config_map::iterator entry(const string &e) { return cmap.find(e); } config_map::iterator begin() { return cmap.begin(); } config_map::const_iterator end() const { return cmap.end(); } config_map::iterator end() { return cmap.end(); } }; // --------------------------------------- // class AWT_config // --------------------------------------- AWT_config::AWT_config(const char *config_char_ptr) : mapping(new AWT_config_mapping) , parse_error(0) { // parse string in format "key1='value1';key2='value2'".. // and put values into a map. // assumes that keys are unique string configString(config_char_ptr); config_map& cmap = mapping->cmap; size_t pos = 0; while (!parse_error) { size_t equal = configString.find('=', pos); if (equal == string::npos) break; if (configString[equal+1] != '\'') { parse_error = "expected quote \"'\""; break; } size_t start = equal+2; size_t end = configString.find('\'', start); while (end != string::npos) { if (configString[end-1] != '\\') break; end = configString.find('\'', end+1); } if (end == string::npos) { parse_error = "could not find matching quote \"'\""; break; } string config_name = configString.substr(pos, equal-pos); string value = configString.substr(start, end-start); parse_error = decode_escapes(value); if (!parse_error) { cmap[config_name] = value; } pos = end+2; // skip ';' } } AWT_config::AWT_config(const AWT_config_mapping *cfgname_2_awar, AW_root *root) : mapping(new AWT_config_mapping) , parse_error(0) { const config_map& awarmap = cfgname_2_awar->cmap; config_map& valuemap = mapping->cmap; for (config_map::const_iterator c = awarmap.begin(); c != awarmap.end(); ++c) { const string& key(c->first); const string& awar_name(c->second); char *awar_value = root->awar(awar_name.c_str())->read_as_string(); valuemap[key] = awar_value; free(awar_value); } awt_assert(valuemap.size() == awarmap.size()); } AWT_config::~AWT_config() { delete mapping; } bool AWT_config::has_entry(const char *entry) const { awt_assert(!parse_error); return mapping->entry(entry) != mapping->end(); } const char *AWT_config::get_entry(const char *entry) const { awt_assert(!parse_error); config_map::iterator found = mapping->entry(entry); return (found == mapping->end()) ? 0 : found->second.c_str(); } void AWT_config::set_entry(const char *entry, const char *value) { awt_assert(!parse_error); mapping->cmap[entry] = value; } void AWT_config::delete_entry(const char *entry) { awt_assert(!parse_error); mapping->cmap.erase(entry); } char *AWT_config::config_string() const { awt_assert(!parse_error); string result; for (config_map::iterator e = mapping->begin(); e != mapping->end(); ++e) { const string& config_name(e->first); string value(e->second); encode_escapes(value, "\'"); string entry = config_name+"='"+value+'\''; if (result.empty()) { result = entry; } else { result = result+';'+entry; } } return strdup(result.c_str()); } GB_ERROR AWT_config::write_to_awars(const AWT_config_mapping *cfgname_2_awar, AW_root *root) const { GB_ERROR error = 0; GB_transaction *ta = 0; awt_assert(!parse_error); for (config_map::iterator e = mapping->begin(); !error && e != mapping->end(); ++e) { const string& config_name(e->first); const string& value(e->second); config_map::const_iterator found = cfgname_2_awar->cmap.find(config_name); if (found == cfgname_2_awar->end()) { error = GBS_global_string("config contains unmapped entry '%s'", config_name.c_str()); } else { const string& awar_name(found->second); AW_awar *awar = root->awar(awar_name.c_str()); if (!ta) { ta = new GB_transaction((GBDATA*)awar->gb_var); // do all awar changes in 1 transaction } awar->write_as_string(value.c_str()); } } if (ta) delete ta; // close transaction return error; } // ------------------------------------ // class AWT_config_definition // ------------------------------------ AWT_config_definition::AWT_config_definition(AW_root *aw_root) : root(aw_root) , config_mapping(new AWT_config_mapping) {} AWT_config_definition::AWT_config_definition(AW_root *aw_root, AWT_config_mapping_def *mdef) : root(aw_root) , config_mapping(new AWT_config_mapping) { add(mdef); } AWT_config_definition::~AWT_config_definition() { delete config_mapping; } void AWT_config_definition::add(const char *awar_name, const char *config_name) { config_mapping->cmap[config_name] = awar_name; } void AWT_config_definition::add(const char *awar_name, const char *config_name, int counter) { add(awar_name, GBS_global_string("%s%i", config_name, counter)); } void AWT_config_definition::add(AWT_config_mapping_def *mdef) { while (mdef->awar_name && mdef->config_name) { add(mdef->awar_name, mdef->config_name); mdef++; } } char *AWT_config_definition::read() const { // creates a string from awar values AWT_config current_state(config_mapping, root); return current_state.config_string(); } void AWT_config_definition::write(const char *config_char_ptr) const { // write values from string to awars // if the string contains unknown settings, they are silently ignored AWT_config wanted_state(config_char_ptr); GB_ERROR error = wanted_state.parseError(); if (!error) error = wanted_state.write_to_awars(config_mapping, root); if (error) aw_message(GBS_global_string("Error restoring configuration (%s)", error)); } ./arbsrc_9167/AWT/awt_config_manager.hxx0000644012664100000130000001043311440742777020153 0ustar arb_buildcoders// ==================================================================== // // // // File : awt_config_manager.hxx // // Purpose : general interface to store/restore // // a set of related awars // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef AWT_CONFIG_MANAGER_HXX #define AWT_CONFIG_MANAGER_HXX struct AWT_config_mapping; struct AWT_config_mapping_def { const char *awar_name; const char *config_name; }; // ---------------------------------------- // class AWT_config // ---------------------------------------- class AWT_config { // stores one specific configuration (key->value pairs) // // this class allows to modify the config_string before calling AWT_config_definition::write(). // This is e.g. neccessary if some config-entries change and you want to support // automatic conversion from old format to new format. AWT_config_mapping *mapping; GB_ERROR parse_error; // set by AWT_config(const char *) AWT_config(const AWT_config&); AWT_config& operator = (const AWT_config&); public: AWT_config(const char *config_string); AWT_config(const AWT_config_mapping *cfgname_2_awar, AW_root *root); // internal use (reads current awar values) ~AWT_config(); GB_ERROR parseError() const { return parse_error; } // props + modifiers bool has_entry(const char *entry) const; // returns true if mapping contains 'entry' const char *get_entry(const char *entry) const; // returns value of 'entry' void set_entry(const char *entry, const char *value); // sets a (new) entry to value void delete_entry(const char *entry); // deletes an existing 'entry' // result char *config_string() const; // return current state as config string GB_ERROR write_to_awars(const AWT_config_mapping *cfgname_2_awar, AW_root *root) const; // internal use (write config into awars) }; // ------------------------------------ // class AWT_config_definition // ------------------------------------ class AWT_config_definition { private: AW_root *root; AWT_config_mapping *config_mapping; // defines config-name -> awar-name relation AWT_config_definition(const AWT_config_definition&); AWT_config_definition& operator = (const AWT_config_definition&); public: AWT_config_definition(AW_root *aw_root); AWT_config_definition(AW_root *aw_root, AWT_config_mapping_def *mapping_definition); // simple definition virtual ~AWT_config_definition(); void add(const char *awar_name, const char *config_name); void add(const char *awar_name, const char *config_name, int counter); void add(AWT_config_mapping_def *mapping_definition); char *read() const; // awars -> config string (heap copy) void write(const char *config_string) const; // config string -> awars (use to restore a saved configuration) AW_root *get_root() const { return root; } }; // callbacks from config manager : typedef char *(*AWT_store_config_to_string)(AW_window *aww, AW_CL cl1, AW_CL cl2); typedef void (*AWT_load_config_from_string)(AW_window *aww, const char *stored_string, AW_CL cl1, AW_CL cl2); // the config manager itself -> adds button at cursor position when called (from a window generator function) void AWT_insert_config_manager(AW_window *aww, AW_default default_file_, const char *id, AWT_store_config_to_string store, AWT_load_config_from_string load, AW_CL cl1, AW_CL cl2, const char *macro_id = NULL); #else #error awt_config_manager.hxx included twice #endif // AWT_CONFIG_MANAGER_HXX ./arbsrc_9167/AWT/AWT_csp.cxx0000644012664100000130000002507311440742777015642 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include "awt.hxx" #include "awt_tree.hxx" #include "BI_helix.hxx" #include "awt_csp.hxx" #include "awt_sel_boxes.hxx" void awt_csp_rescan_sais(AW_root *awr, AW_CL csp_cd){ AWT_csp *csp = (AWT_csp *)csp_cd; GB_transaction dummy(csp->gb_main); free(csp->alignment_name); free(csp->type_path); csp->alignment_name = awr->awar(csp->awar_alignment)->read_string(); csp->type_path = GBS_string_eval(csp->alignment_name,"*=*1/_TYPE",0); if (csp->sai_sel_box_id) { awt_create_selection_list_on_extendeds_update(0,csp->sai_sel_box_id); } } AWT_csp::AWT_csp(GBDATA *gb_maini, AW_root *awri, const char *awar_template) { /* awar_template == ".../name" * -> generated ".../alignment" * ".../smooth" * ".../enable_helix" */ memset((char *)this,0,sizeof(AWT_csp)); this->gb_main = gb_maini; this->awr = awri; this->awar_name = GBS_string_eval(awar_template,AWT_CSP_AWAR_CSP_NAME,0); this->awar_alignment = GBS_string_eval(awar_template,AWT_CSP_AWAR_CSP_ALIGNMENT,0); this->awar_smooth = GBS_string_eval(awar_template,AWT_CSP_AWAR_CSP_SMOOTH,0); this->awar_enable_helix = GBS_string_eval(awar_template,AWT_CSP_AWAR_CSP_ENABLE_HELIX,0); awr->awar_string(awar_name, "NONE"); awr->awar_string(awar_alignment); awr->awar_int(awar_smooth); awr->awar_int(awar_enable_helix, 1); awr->awar(this->awar_alignment)->add_callback( awt_csp_rescan_sais, (AW_CL)this); awt_csp_rescan_sais(awr, (AW_CL)this); } void AWT_csp::exit(){ delete [] weights; weights = NULL; delete [] rates; rates = NULL; delete [] ttratio; ttratio = NULL; delete [] is_helix;is_helix= NULL; delete [] mut_sum; mut_sum = NULL; delete [] freq_sum;freq_sum= NULL; delete desc; desc = NULL; int i; for (i=0;i<256;i++){ delete [] frequency[i]; frequency[i] = NULL; } } AWT_csp::~AWT_csp(void){ this->exit(); delete awar_name; delete awar_alignment; delete awar_smooth; delete awar_enable_helix; } GB_ERROR AWT_csp::go(AP_filter *filter){ this->exit(); GB_transaction dummy(this->gb_main); long alignment_length = GBT_get_alignment_len(this->gb_main, alignment_name); GB_ERROR error = 0; if (alignment_length <= 1) return GB_export_errorf("Unknown Alignment Size: Name '%s'\n" " Select a Valid Alignment",alignment_name); if (filter && filter->filter_len != alignment_length) return GB_export_error( "Incompatible filter_len" ); seq_len = 0; char *sai_name = awr->awar(awar_name)->read_string(); GBDATA *gb_sai = GBT_find_SAI(this->gb_main, sai_name); if (!gb_sai) error= GB_export_error("Please select a valid Column Statistic"); GBDATA *gb_ali = 0; GBDATA *gb_freqs = 0; if (!error) { gb_ali = GB_entry(gb_sai,alignment_name); if (!gb_ali) error = GB_export_error("Please select a valid Column Statistic"); } if (!error) { gb_freqs = GB_entry(gb_ali,"FREQUENCIES"); if (!gb_ali) error = GB_export_error("Please select a valid Column Statistic"); } if (error) { free(sai_name); return error; } if (filter) seq_len = (size_t)filter->real_len; else seq_len = (size_t)alignment_length; unsigned long i; unsigned long j; delete [] weights; weights = new GB_UINT4[seq_len]; delete [] rates; rates = new float[seq_len]; delete [] ttratio; ttratio = new float[seq_len]; delete [] is_helix;is_helix = new unsigned char[seq_len]; delete [] mut_sum; mut_sum = new GB_UINT4[seq_len]; delete [] freq_sum;freq_sum = new GB_UINT4[seq_len]; delete desc; desc = 0; for (i=0;i<256;i++) { delete frequency[i];frequency[i]=0;} long use_helix = awr->awar(awar_enable_helix)->read_int(); for (j=i=0;igb_main,alignment_name); if (error){ aw_message(error); error = 0; goto no_helix; } error = 0; for (j=i=0;i<(unsigned long)alignment_length;i++) { if (!filter || filter->filter_mask[i]) { if (helix.pairtype(i) == HELIX_PAIR) { is_helix[j] = 1; weights[j] = 1; } else{ is_helix[j] = 0; weights[j] = 2; } j++; } } } no_helix: for (i=0;ifilter_mask[i]) continue; freq_sum[j] += freqi[wf][i]; mut_sum[j] = minmut[i]; j++; } } for (i=0;i max_freq_sum) max_freq_sum = freq_sum[i]; unsigned long min_freq_sum = DIST_MIN_SEQ(max_freq_sum); for (wf = 0; wf<256;wf++) { if (!freqi[wf]) continue; frequency[wf] = new float[seq_len]; for (j=i=0;i<(unsigned long)alignment_length;i++) { if (filter && !filter->filter_mask[i]) continue; if (freq_sum[j] > min_freq_sum) { frequency[wf][j] = freqi[wf][i]/(float)freq_sum[j]; }else{ frequency[wf][j] = 0; weights[j] = 0; } j++; } } for (j=i=0;i<(unsigned long)alignment_length;i++) { // ******* calculate rates if (filter && !filter->filter_mask[i]) continue; if (!weights[j]) { rates[j] = 1.0; ttratio[j] = 0.5; j++; continue; } rates[j] = (mut_sum[j] / (float)freq_sum[j]); if (transver[i] > 0) { ttratio[j] = (minmut[i] - transver[i]) / (float)transver[i]; }else{ ttratio[j] = 2.0; } if (ttratio[j] < 0.05) ttratio[j] = 0.05; if (ttratio[j] > 5.0) ttratio[j] = 5.0; j++; } // ****** normalize rates double sum_rates = 0; for (i=0;itype_path, GB_FIND); char *result = 0; if (gb_type) { const char *type = GB_read_char_pntr(gb_type); if (GBS_string_matches(type, "PV?:*", GB_MIND_CASE)) { GBS_strstruct *strstruct = GBS_stropen(100); GBS_strcat(strstruct, GBT_read_name(gb_extended)); GBS_strcat(strstruct, ": <"); GBS_strcat(strstruct, type); GBS_strcat(strstruct, ">"); result = GBS_strclose(strstruct); } } return result; } void create_selection_list_on_csp(AW_window *aws, AWT_csp *csp){ GB_transaction dummy(csp->gb_main); csp->sai_sel_box_id = awt_create_selection_list_on_extendeds(csp->gb_main, aws, csp->awar_name, awt_csp_sai_filter, (AW_CL)csp); } AW_window *create_csp_window(AW_root *aw_root, AWT_csp *csp){ GB_transaction dummy(csp->gb_main); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "SELECT_CSP", "Select Column Statistic"); aws->load_xfig("awt/col_statistic.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE", "CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"awt_csp.hlp"); aws->create_button("HELP", "HELP","H"); aws->at("box"); create_selection_list_on_csp(aws,csp); aws->at("smooth"); aws->create_toggle_field(csp->awar_smooth); aws->insert_toggle("Calculate each column (nearly) independently","D",0); aws->insert_toggle("Smooth parameter estimates a little","M",1); aws->insert_toggle("Smooth parameter estimates across columns","S",2); aws->update_toggle_field(); aws->at("helix"); aws->label("Use Helix Information (SAI 'HELIX')"); aws->create_toggle(csp->awar_enable_helix); return (AW_window *)aws; } ./arbsrc_9167/AWT/awt_csp.hxx0000644012664100000130000000423111440742777016000 0ustar arb_buildcoders// =========================================================== // // // // File : awt_csp.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef AWT_CSP_HXX #define AWT_CSP_HXX /* Create a window, that allows you to get weights from the sais 1. create AWT_csp 2. build button with callback create_csp_window 3. call csp->go( second_filter) 4. use csp->weights .... */ class AW_root; class AW_window; #define AWT_CSP_AWAR_CSP_NAME "/name=/name" #define AWT_CSP_AWAR_CSP_ALIGNMENT "/name=/alignment" #define AWT_CSP_AWAR_CSP_SMOOTH "/name=/smooth" #define AWT_CSP_AWAR_CSP_ENABLE_HELIX "/name=/enable_helix" #define DIST_MIN_SEQ(seq_anz) (seq_anz / 10) class AWT_csp { public: GBDATA *gb_main; AW_root *awr; char *awar_name; char *awar_alignment; char *alignment_name; char *type_path; char *awar_smooth; char *awar_enable_helix; void *sai_sel_box_id; /* real public */ size_t seq_len; // real length == 0 -> not valid GB_UINT4 *weights; // helix = 1, non helix == 2 float *rates; float *ttratio; float *frequency[256]; GB_UINT4 *mut_sum; GB_UINT4 *freq_sum; unsigned char *is_helix; // == 1 -> helix; == 0 -> loop region char *desc; AWT_csp(GBDATA *gb_main, AW_root *awr, const char *awar_template); ~AWT_csp(void); void exit(); GB_ERROR go(AP_filter *filter = 0); void print(void); }; AW_window *create_csp_window(AW_root *root, AWT_csp *csp); void create_selection_list_on_csp(AW_window *aww, AWT_csp *csp); #else #error awt_csp.hxx included twice #endif // AWT_CSP_HXX ./arbsrc_9167/AWT/AWT_db_browser.cxx0000644012664100000130000010367411440742777017211 0ustar arb_buildcoders// ==================================================================== // // // // File : AWT_db_browser.cxx // // Purpose : Simple database viewer // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include "awt.hxx" #include "awt_tree.hxx" #include #include #include #include #include #include #include // do includes above (otherwise depends depend on DEBUG) #if defined(DEBUG) using namespace std; // used AWARs : #define AWAR_DBB_BASE "/dbbrowser" #define AWAR_DBB_TMP_BASE "/tmp" AWAR_DBB_BASE #define AWAR_DBB_DB AWAR_DBB_BASE "/db" #define AWAR_DBB_ORDER AWAR_DBB_BASE "/order" #define AWAR_DBB_PATH AWAR_DBB_BASE "/path" #define AWAR_DBB_HISTORY AWAR_DBB_BASE "/history" #define AWAR_DBB_BROWSE AWAR_DBB_TMP_BASE "/browse" #define AWAR_DBB_INFO AWAR_DBB_TMP_BASE "/info" #define HISTORY_PSEUDO_PATH "*history*" #define ENTRY_MAX_LENGTH 1000 #define HISTORY_MAX_LENGTH 20000 enum SortOrder { SORT_NONE, SORT_NAME, SORT_NAME_DB, SORT_TYPE, SORT_CONTENT, SORT_COUNT }; const char *sort_order_name[SORT_COUNT] = { "None", "Name", "Name (DB)", "Type", "Content", }; // used to sort entries in list struct list_entry { const char *key_name; GB_TYPES type; int childCount; // -1 if only one child with key_name exists GBDATA *gbd; string content; static SortOrder sort_order; inline bool less_than_by_name(const list_entry& other) const { int cmp = ARB_stricmp(key_name, other.key_name); if (cmp != 0) return (cmp<0); // name differs! return childCount compare child count } inline int cmp_by_container(const list_entry& other) const { return int(type != GB_DB) - int(other.type != GB_DB); } inline bool less_than_by_name_container(const list_entry& other) const { int cmp = cmp_by_container(other); if (cmp == 0) return less_than_by_name(other); return cmp<0; } bool operator<(const list_entry& other) const { bool is_less = false; switch (sort_order) { case SORT_NONE: awt_assert(0); // not possible break; case SORT_NAME: is_less = less_than_by_name(other); break; case SORT_NAME_DB: is_less = less_than_by_name_container(other); break; case SORT_CONTENT: { int cmp = ARB_stricmp(content.c_str(), other.content.c_str()); if (cmp != 0) is_less = cmp<0; else is_less = less_than_by_name_container(other); break; } case SORT_TYPE: { int cmp = type-other.type; if (cmp == 0) is_less = less_than_by_name(other); else is_less = cmp<0; break; } default : awt_assert(0); // illegal 'sort_order' break; } return is_less; } }; SortOrder list_entry::sort_order = SORT_NONE; // --------------------- // create AWARs // --------------------- void AWT_create_db_browser_awars(AW_root *aw_root, AW_default aw_def) { aw_root->awar_int(AWAR_DBB_DB, 0, aw_def); // index to internal order of announced databases aw_root->awar_int(AWAR_DBB_ORDER, SORT_NAME_DB, aw_def); // sort order for "browse"-box aw_root->awar_string(AWAR_DBB_PATH, "/", aw_def); // path in database aw_root->awar_string(AWAR_DBB_BROWSE, "", aw_def); // selection in browser (= child name) aw_root->awar_string(AWAR_DBB_INFO, " OUTPUT)ashow 450 90 gm -0.22743 0.(in:INPUT)ashow 458 90 gm -0.21559 0.(informat:flat)ashow 474 90 gm -0.22111 0.(out:OUTPUT)ashow 482 90 gm -0.21430 0.(outformat:flat)ashow 501 90 gm {}mark T /Times-Roman /|______Times-Roman 0 rf 10 fz 2 F /|______Times-Roman fnt 0.06103 0. 32 0.00610 0.(In this example, no arguments are specified, and so no dialog box will appear. The command is not run in)awidthshow 512 90 gm -0.03242 0.(the background, so the GDE can clean up after itself automatically. The converted sequence is automatically)ashow 523 90 gm -0.07383 0.(loaded back into the current GDE window.)ashow 545 90 gm 0.02014 0. 32 0.00201 0.(In general, the easiest type of program to integrate into the GDE is a program completely driven from a)awidthshow 556 90 gm -0.00051 0.(Unix command line. Interactive programs can be tied in \(MFOLD for example\), however shell scripts must)ashow 567 90 gm -0.01737 0.(be used to drive the parameter entry for these programs. Programs of the form:)ashow 586 90 gm {}mark T /Courier /|______Courier 0 rf 7 fz 2 F /|______Courier fnt -0.20149 0.(program_name -a1 argument1 -a2 arguement2 -f inputfile -er errorfile > outputfile)ashow 608 90 gm {}mark T /Times-Roman /|______Times-Roman 0 rf 10 fz 2 F /|______Times-Roman fnt 0.06240 0. 32 0.00624 0.(can be specified in the .GDEmenus file directly. As this is the general form of most one Unix commands,)awidthshow 619 90 gm 0.06774 0. 32 0.00677 0.(these tend to be simpler to implement under the GDE.)awidthshow 641 90 gm 0.07995 0. 32 0.00799 0.(As functions grow in complexity, they may begin to need a user interface of their own. In these cases, the)awidthshow 652 90 gm -0.01388 0.(command line calling arguments are still necessary in order to allow the GDE to hand them the appropriate)ashow 663 90 gm -0.02767 0.(data, and possible retrieve results after some external manipulation.)ashow F T cp %%Page: ? 20 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (20)show 84 90 gm 14 fz 2 F /|______Times-Roman fnt 0.49774 0. 32 0.04977 0.(Appendix C, External functions)awidthshow 107 90 gm 10 fz 2 F /|______Times-Roman fnt 0.08163 0. 32 0.00816 0.(ClustalV - Cluster multiple sequence alignment)awidthshow 129 90 gm 0.30380 0. 32 0.03038 0.(Author: Des Higgins.)awidthshow 151 90 gm -0.25508 0.(Reference:)ashow 151 162 gm 0.14328 0. 32 0.01432 0.(Higgins,D.G. Bleasby,A.J. and Fuchs,R. \(1991\) CLUSTAL V: improved software)awidthshow 162 162 gm 0.13442 0. 32 0.01344 0.(for multiple sequence alignment. ms. submitted to CABIOS)awidthshow 183 90 gm -0.11924 0.(Parameters:)ashow 194 162 gm -0.07839 0.(k-tuple pairwise search)ashow 194 270 gm -0.07196 0.(Word size for pairwise comparisons)ashow 205 162 gm -0.14807 0.(Window size)ashow 205 270 gm 0.07278 0. 32 0.00727 0.(Smaller values give faster alignments,)awidthshow 216 270 gm -0.03422 0.(larger values are more sensitive.)ashow 227 162 gm -0.05999 0.(Transitions weighted)ashow 227 270 gm 0.19729 0. 32 0.01972 0.(Can weight transitions twice as high as)awidthshow 238 270 gm -0.01446 0.(transversions \(DNA only\).)ashow 249 162 gm -0.04051 0.(Fixed gap penalty)ashow 249 270 gm 0.06027 0. 32 0.00602 0.(Gap insertion penalty, lower value, more gaps)awidthshow 260 162 gm 0.20385 0. 32 0.02038 0.(Floating gap penalty)awidthshow 260 270 gm 0.02777 0. 32 0.00277 0.(Gap extension penalty, lower value, longer gaps)awidthshow 304 90 gm 0.11117 0.(Comments:)ashow 315 162 gm -0.01083 0.(ClustalV is a directed multiple sequence alignment algorithm that)ashow 326 162 gm 0.06652 0. 32 0.00665 0.(aligns a set of sequences based on their level of similarity. It first)awidthshow 337 162 gm 0.05584 0. 32 0.00558 0.(uses a Lipman Peasron pairwise similarity scoring to find "clusters")awidthshow 348 162 gm -0.06562 0.(of similar sequences, and pre-aligns those sequences. It then adds)ashow 359 162 gm 0.03463 0. 32 0.00346 0.(other sequences to the alignment in the order of their similarity so as)awidthshow 370 162 gm -0.02696 0.(to produce the cleanest alignment.)ashow 392 162 gm 0.09170 0. 32 0.00917 0.(Warning: ClustalV only uses unambiguous character codes. It will also)awidthshow 403 162 gm 0.04348 0. 32 0.00434 0.(convert all sequences to upper case in the process of aligning. Clustal)awidthshow 414 162 gm 0.04180 0. 32 0.00418 0.(does not pass back comments, author etc. Be sure to keep copies of your)awidthshow 425 162 gm 0.15106 0. 32 0.01510 0.(sequences if you do not wish to lose this information.)awidthshow F T cp %%Page: ? 21 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (21)show 81 90 gm 10 fz 2 F /|______Times-Roman fnt -0.08074 0.(MFOLD - RNA secondary prediction)ashow 103 90 gm -0.03694 0.(Author: Michael Zuker)ashow 125 90 gm -0.17959 0.(Reference: )ashow 125 162 gm 0.13900 0. 32 0.01390 0.(M. Zuker)awidthshow 136 162 gm 0.27359 0. 32 0.02735 0.(On Finding All Suboptimal Foldings of an RNA Molecule.)awidthshow 147 162 gm 0.16525 0. 32 0.01652 0.(Science, 244, 48-52, \(1989\))awidthshow 169 162 gm 0.12847 0. 32 0.01284 0.(J. A. Jaeger, D. H. Turner and M. Zuker)awidthshow 180 162 gm -0.06132 0.(Improved Predictions of Secondary Structures for RNA.)ashow 191 162 gm 0.25482 0. 32 0.02548 0.(Proc. Natl. Acad. Sci. USA, BIOCHEMISTRY, 86, 7706-7710, \(1989\))awidthshow 213 162 gm 0.12847 0. 32 0.01284 0.(J. A. Jaeger, D. H. Turner and M. Zuker)awidthshow 224 162 gm -0.01690 0.(Predicting Optimal and Suboptimal Secondary Structure for RNA.)ashow 235 162 gm 0.13473 0. 32 0.01347 0.(in "Molecular Evolution: Computer Analysis of Protein and)awidthshow 246 162 gm (Nucleic Acid Sequences", R. F. Doolittle ed.)show 257 162 gm 0.18035 0. 32 0.01803 0.(Methods in Enzymology, 183, 281-306 \(1989\))awidthshow 279 90 gm -0.11924 0.(Parameters:)ashow 290 162 gm -0.11352 0.(Linear/circular RNA fold)ashow 301 162 gm 0.25527 0. 32 0.02552 0.(ct File to save results)awidthshow 323 90 gm 0.11117 0.(Comments:)ashow 334 162 gm 0.06652 0. 32 0.00665 0.(MFOLD passes it's output to a program Zuk_to_gen that translates the secondary)awidthshow 345 162 gm -0.01971 0.(structure prediction to a nested bracket \([]\) notation. This notation can then be used)ashow 356 162 gm -0.00996 0.(in the Highlight Helix, and Draw Secondary structure \(LoopTool\) functions.)ashow 378 162 gm -0.01683 0.(MFOLD currently does not support much in the way of additional parameters.)ashow 389 162 gm -0.04089 0.(We hope to have all additional parameters available soon.)ashow F T cp %%Page: ? 22 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (22)show 92 90 gm 10 fz 2 F /|______Times-Roman fnt -0.01799 0.(Blast - Basic Local Alignment Search Tool)ashow 114 90 gm -0.25508 0.(Reference:)ashow 125 162 gm 0.16143 0. 32 0.01614 0.(Karlin, Samuel and Stephen F. Altschul \(1990\). Methods for)awidthshow 136 162 gm -0.04147 0.(assessing the statistical significance of molecular sequence)ashow 147 162 gm -0.01135 0.(features by using general scoring schemes, Proc. Natl. Acad.)ashow 158 162 gm 0.51742 0. 32 0.05174 0.(Sci. USA 87:2264-2268.)awidthshow 180 90 gm 0.46295 0. 32 0.04629 0.( )awidthshow 180 162 gm 0.27801 0. 32 0.02780 0.(Altschul, Stephen F., Warren Gish, Webb Miller, Eugene W.)awidthshow 191 90 gm 0.46295 0. 32 0.04629 0.( )awidthshow 191 162 gm 0.10040 0. 32 0.01004 0.(Myers, and David J. Lipman \(1990\). Basic local alignment)awidthshow 202 90 gm 0.46295 0. 32 0.04629 0.( )awidthshow 202 162 gm 0.45684 0. 32 0.04568 0.(search tool, J. Mol. Biol. 215:403-410.)awidthshow 224 90 gm 0.46875 0. 32 0.04687 0.( )awidthshow 224 162 gm 0.40649 0. 32 0.04064 0.(Altschul, Stephen F. \(1991\). Amino acid substitution)awidthshow 235 90 gm 0.46875 0. 32 0.04687 0.( )awidthshow 235 162 gm 0.10742 0. 32 0.01074 0.(matrices from an information theoretic perspective. J. Mol.)awidthshow 246 90 gm 0.46295 0. 32 0.04629 0.( )awidthshow 246 162 gm 0.43884 0. 32 0.04388 0.(Biol. 219:555-565.)awidthshow 290 90 gm -0.11924 0.(Parameters:)ashow 301 162 gm -0.13816 0.(Which Database)ashow 301 270 gm -0.09788 0.(Which nucleic or amino acid database)ashow 312 270 gm -0.03448 0.(to search.)ashow 334 162 gm -0.18505 0.(Word Size)ashow 334 270 gm 0.17608 0. 32 0.01760 0.(Length of initial hit. after locating a match of)awidthshow 345 270 gm 0.27908 0. 32 0.02790 0.(this length, alignment extension is attempted.)awidthshow 356 126 gm -0.11082 0.(Blastn)ashow 367 162 gm -0.11381 0.(Match score)ashow 367 270 gm -0.03680 0.(Score for matches in secondary alignment extension)ashow 378 162 gm -0.04492 0.(Mismatch score)ashow 378 270 gm -0.02404 0.(Score for mismatches in secondary alignment extension)ashow 400 126 gm 0.49514 0. 32 0.04951 0.(Blastx, tblastn, blastp, blast3)awidthshow 411 162 gm 0.69580 0. 32 0.06958 0.(Substitution Matrix)awidthshow 411 270 gm 0.38192 0. 32 0.03819 0.(PAM120 or PAM250)awidthshow 444 126 gm 0.11117 0.(Comments:)ashow 444 198 gm -0.01263 0.(The report is loaded into a text editor. This should be saved as a new file)ashow 455 198 gm -0.01432 0.(as the default file is removed after execution. The latest version of blast can)ashow 466 198 gm 0.30914 0. 32 0.03091 0.(be obtained via anonymous ftp to ncbi.nlm.nih.gov.)awidthshow F T cp %%Page: ? 23 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (23)show 81 90 gm 10 fz 2 F /|______Times-Roman fnt 0.14083 0. 32 0.01408 0.(FastA - Similarity search)awidthshow 103 126 gm -0.25508 0.(Reference:)ashow 114 162 gm 0.31677 0. 32 0.03167 0.(W. R. Pearson and D. J. Lipman \(1988\),)awidthshow 125 162 gm -0.00869 0.("Improved Tools for Biological Sequence Analysis", PNAS 85:2444-2448)ashow 147 162 gm 0.01358 0. 32 0.00135 0.(W. R. Pearson \(1990\) "Rapid and Sensitive Sequence)awidthshow 158 162 gm 0.26550 0. 32 0.02655 0.(Comparison with FASTP and FASTA" Methods in Enzymology 183:63-98)awidthshow 180 126 gm -0.11924 0.(Parameters:)ashow 191 162 gm -0.23434 0.(Database)ashow 191 306 gm -0.12551 0.(Which database to search)ashow 202 162 gm 0.05493 0. 32 0.00549 0.(Number of alignments to report)awidthshow 213 162 gm (SMATRIX)show 213 306 gm 0.26260 0. 32 0.02626 0.(Which similarity matrix to use)awidthshow 246 126 gm 0.11117 0.(Comments:)ashow 257 90 gm 0.47622 0. 32 0.04762 0.( )awidthshow 257 162 gm -0.05303 0.(The FastA package includes several additional programs for pairwise alignment.)ashow 268 162 gm -0.00224 0.(We have only included a bare bones link to FastA. We hope to include a more)ashow 279 162 gm -0.00607 0.(complete setup for the actual 2.2 release.)ashow F T cp %%Page: ? 24 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (24)show 81 90 gm 10 fz 2 F /|______Times-Roman fnt 0.38360 0. 32 0.03836 0.(Assemble Contigs - CAP Contig Assembly Program)awidthshow 103 126 gm -0.04878 0.(Author - Xiaoqiu Huang)ashow 114 162 gm -0.03823 0.(Department of Computer Science)ashow 125 162 gm -0.02279 0.(Michigan Technological University)ashow 136 162 gm 0.34759 0. 32 0.03475 0.(Houghton, MI 49931)awidthshow 147 162 gm -0.01989 0.(E-mail: huang@cs.mtu.edu)ashow 169 162 gm 0.31494 0. 32 0.03149 0.(Minor modifications for I/O by S. Smith)awidthshow 191 126 gm -0.23449 0.(Reference -)ashow 202 162 gm 0.05538 0. 32 0.00553 0.("A Contig Assembly Program Based on Sensitive Detection of)awidthshow 213 90 gm ( )show 213 162 gm 0.00946 0. 32 0.00094 0.(Fragment Overlaps" \(submitted to Genomics, 1991\))awidthshow 235 126 gm -0.11924 0.(Parameters:)ashow 246 162 gm 0.21423 0. 32 0.02142 0.(Minimum overlap)awidthshow 246 306 gm -0.11988 0.(Number of bases required for overlap)ashow 257 162 gm -0.01672 0.(Percent match within overlap)ashow 257 306 gm -0.10456 0.(Percentage match required in the overlap)ashow 268 306 gm -0.07734 0.(region before merge is alowwed.)ashow 290 126 gm 0.11117 0.(Comments:)ashow 312 162 gm -0.06814 0.(CAP returns the aligned sequences to the current editor window. The sequences are)ashow 323 162 gm 0.00427 0. 32 0.00042 0.(placed into contigs by setting the groupid. Cap does not change the order of the)awidthshow 334 162 gm -0.05079 0.(sequences, and so the results should be sorted by group and offset \(see sort under the)ashow 345 162 gm -0.02096 0.(Edit menu\).)ashow F T cp %%Page: ? 25 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (25)show 92 90 gm 10 fz 2 F /|______Times-Roman fnt -0.10661 0.(Lsadt - Least squares additive tree analysis)ashow 114 90 gm 0.18157 0. 32 0.01815 0.(Author: Geert De Soete, 'C' implementation by Mike Maciukenas University of Illinois)awidthshow 136 90 gm -0.00590 0.(Reference:LSADT, 1983 Psychometrika, 1984 Quality and Quantity)ashow 158 90 gm -0.11924 0.(Parameters:)ashow 169 162 gm -0.02085 0.(Distance correction to use in distance matrix calculations \(see count below\).)ashow 180 162 gm -0.03211 0.(What should be used for initial parameters estimates)ashow 191 162 gm -0.12921 0.(Random number seed)ashow 202 162 gm -0.05371 0.(Display method \(See TreeTool below\))ashow 224 90 gm 0.11117 0.(Comments:)ashow 235 162 gm -0.02113 0.(The program has been rewritten in 'C' and will be included with the rRNA Database)ashow 246 162 gm 0.03906 0. 32 0.00390 0.(phylogenetic package being written at the University of Illinois Department of)awidthshow 257 162 gm 0.04248 0.(Microbiology.)ashow 279 162 gm -0.01466 0.(Count is a short program to calculate a distance matrix from a sequence)ashow 290 162 gm -0.01652 0.(alignment \(see below\).)ashow 334 90 gm -0.00831 0.(Count - Distance matrix calculator)ashow 356 90 gm 0.45852 0. 32 0.04585 0.(Author: Steven Smith)awidthshow 378 90 gm -0.11924 0.(Parameters:)ashow 389 162 gm -0.07836 0.(Correction method)ashow 389 306 gm -0.01190 0.(Currently Jukes-Cantor or none)ashow 400 162 gm -0.17300 0.(Include dashed columns)ashow 411 162 gm -0.04403 0.(Match upper case to lower)ashow 444 90 gm 0.11117 0.(Comments:)ashow 455 162 gm -0.02917 0.(Passes back a distance matrix in a format readable by LSADT.)ashow 510 90 gm -0.06629 0.(Treetool - Tree drawing/manipulation)ashow 532 90 gm -0.01724 0.(Author:)ashow 532 126 gm 0.06912 0. 32 0.00691 0.(Michael Maciukenas, University of Illinois)awidthshow 554 90 gm 0.11117 0.(Comments:)ashow 565 162 gm -0.08711 0.(See included documentation for TreeTool usage.)ashow F T cp %%Page: ? 26 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (26)show 81 90 gm 10 fz 2 F /|______Times-Roman fnt -0.10578 0.(Readseq - format conversion program)ashow 103 90 gm -0.01724 0.(Author:)ashow 103 162 gm (Don Gilbert)show 125 90 gm -0.11924 0.(Parameters:)ashow 125 162 gm 0.05798 0. 32 0.00579 0.(Many, but can easily be run in interactive mdoe.)awidthshow 147 90 gm 0.11117 0.(Comments:)ashow 158 162 gm -0.02134 0.(Readseq is a very useful program for format conversion. The latest versionsupports over a)ashow 169 162 gm -0.01359 0.(dozen different file formats, as well as formating capabilities for publication. GDE makes)ashow 180 162 gm -0.02366 0.(of Readseq for importing and exporting seqeuences as well as a filtering tool to some)ashow 191 162 gm -0.02290 0.(external functions.)ashow 246 90 gm -0.10661 0.(Lsadt - Least squares additive tree analysis)ashow 268 90 gm 0.18157 0. 32 0.01815 0.(Author: Geert De Soete, 'C' implementation by Mike Maciukenas University of Illinois)awidthshow 290 90 gm -0.00590 0.(Reference:LSADT, 1983 Psychometrika, 1984 Quality and Quantity)ashow 312 90 gm -0.11924 0.(Parameters:)ashow 323 162 gm -0.02085 0.(Distance correction to use in distance matrix calculations \(see count below\).)ashow 334 162 gm -0.03211 0.(What should be used for initial parameters estimates)ashow 345 162 gm -0.12921 0.(Random number seed)ashow 356 162 gm -0.05371 0.(Display method \(See TreeTool below\))ashow 378 90 gm 0.11117 0.(Comments:)ashow 389 162 gm -0.02113 0.(The program has been rewritten in 'C' and will be included with the rRNA Database)ashow 400 162 gm 0.03906 0. 32 0.00390 0.(phylogenetic package being written at the University of Illinois Department of)awidthshow 411 162 gm 0.04248 0.(Microbiology.)ashow 433 162 gm -0.01466 0.(Count is a short program to calculate a distance matrix from a sequence)ashow 444 162 gm -0.01652 0.(alignment \(see below\).)ashow 488 90 gm -0.00831 0.(Count - Distance matrix calculator)ashow 510 90 gm 0.45852 0. 32 0.04585 0.(Author: Steven Smith)awidthshow 532 90 gm -0.11924 0.(Parameters:)ashow 543 162 gm -0.07836 0.(Correction method)ashow 543 306 gm -0.01190 0.(Currently Jukes-Cantor or none)ashow 554 162 gm -0.17300 0.(Include dashed columns)ashow 565 162 gm -0.04403 0.(Match upper case to lower)ashow 598 90 gm 0.11117 0.(Comments:)ashow 609 162 gm -0.02917 0.(Passes back a distance matrix in a format readable by LSADT.)ashow F T cp %%Page: ? 27 op 31 30 xl 1 1 pen 753 90 gm (nc 31 30 761 582 6 rc)kp 1 setTxMode 0 fs {}mark T /Times-Roman /|______Times-Roman 0 rf 7 fz 2 F /|______Times-Roman fnt 0.34057 0. 32 0.03405 0.(GDE2.0 rev1)awidthshow 753 300 gm 12 fz 2 F /|______Times-Roman fnt (27)show 92 90 gm -0.10993 0.(Copyright Notice)ashow 115 90 gm 10 fz 2 F /|______Times-Roman fnt -0.01510 0.(The Genetic Data Environment \(GDE\) software and documentation are not in the public domain. Portions)ashow 126 90 gm -0.04327 0.(of this code are owned and copyrighted by the The Board of Trustees of the University of Illinois and by)ashow 137 90 gm 0.04196 0. 32 0.00419 0.(Steven Smith. External functions used by GDE are the proporty of, their respective authors. This release of)awidthshow 148 90 gm -0.02386 0.(the GDE program and documentation may not be sold, or incorporated into a commercial product, in whole)ashow 159 90 gm 0.10650 0. 32 0.01065 0.(or in part without the expressed written consent of the University of Illinois and of its author, Steven)awidthshow 170 90 gm 0.32122 0.(Smith.)ashow 192 90 gm -0.01826 0.(All interested parties may redistribute the GDE as long as all copies are accompanied by this)ashow 203 90 gm 0.05432 0. 32 0.00543 0.(documentation, and all copyright notices remain intact. Parties interested in redistribution must do so on a)awidthshow 214 90 gm -0.03430 0.(non-profit basis, charging only for cost of media. Modifications to the GDE core editor should be forwarded)ashow 225 90 gm 0.05264 0. 32 0.00526 0.(to the author Steven Smith. External programs used by the GDE are copyright by, and are the property of)awidthshow 236 90 gm -0.03063 0.(their respective authors unless otherwise stated.)ashow 269 90 gm 0.02899 0. 32 0.00289 0.(While all attempts have been made to insure the integrity of these programs:)awidthshow 291 90 gm 12 fz 2 F /|______Times-Roman fnt -0.29307 0.(Disclaimer)ashow 314 90 gm 10 fz 2 F /|______Times-Roman fnt (THE UNIVERSITY OF ILLINOIS, HARVARD UNIVERSITY AND THE AUTHOR, STEVEN SMITH)show 325 90 gm 0.21240 0. 32 0.02124 0.(GIVE NO WARRANTIES, EXPRESSED OR IMPLIED FOR THE SOFTWARE AND)awidthshow 336 90 gm -0.03628 0.(DOCUMENTATION PROVIDED, INCLUDING, BUT NOT LIMITED TO WARRANTY OF)ashow 347 90 gm 0.20996 0. 32 0.02099 0.(MERCHANTABILITY AND WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE. User)awidthshow 358 90 gm -0.06015 0.(understands the software is a research tool for which no warranties as to capabilities or accuracy are made,)ashow 369 90 gm -0.01759 0.(and user accepts the software "as is." User assumes the entire risk as to the results and performance of the)ashow 380 90 gm -0.05845 0.(software and documentation. The above parties cannot be held liable for any direct, indirect, consequential)ashow 391 90 gm -0.00201 0.(or incidental damages with respect to any claim by user or any third party on account of, or arising from the)ashow 402 90 gm -0.05157 0.(use of software and associated materials. This disclaimer covers both the GDE core editor and all external)ashow 413 90 gm -0.01464 0.(programs used by the GDE.)ashow F T cp %%Trailer cd end %%Pages: 27 0 %%EOF ./arbsrc_9167/GDEHELP/GDE2.2_manual_text0000644012664100000130000014446711213220015017357 0ustar arb_buildcodersGDE2.2 rev1 1 Genetic Data Environment version 2.2 Table of Contents Introduction 2 What's New for this Release 2 System Requirements 2 Note to Motif users 2 Installing the GDE 3 Using the GDE 3 Data Types 7 Menu Functions File menu 7 Edit menu 9 DNA/RNA menu 9 External Functions 9 Bug reports/extensions 12 Acknowledgments 12 Appendix A, File Formats 13 Appendix B, Adding Functions 16 Appendix C, External functions 19 .c.Introduction The Genetic Data Environment is part of a growing set of programs for manipulating and analyzing "genetic" data. It differs in design from other analysis programs in that it is intended to be an expandable and customizable system, while still being easy to use. There are a tremendous number of publicly available programs for sequence analysis. Many of these programs have found their way into commercial packages which incorporate them into integrated, easy to use systems. The goal of the GDE is to minimize the amount of effort required to integrate sequence analysis functions into a common environment. The GDE takes care of the user interface issues, and allows the programmer to concentrate on the analysis itself. Existing programs can be tied into the GDE in a matter of hours (or minutes) as apposed to days or weeks. Programs may be written in any language, and still seamlessly be incorporated into the GDE. These programs are, and will continue to be, available at no charge. It is the hope that this system will grow in functionality as more and more people see the benefits of a modular analysis environment. Users are encouraged to make modifications to the system, and forward all changes and additions to Steven Smith at smith@bioimage.millipore.com. .c.What's New for this Release GDE 2.2 represents a maintainence release. Several small bugs have been fixed, as well as new editing features and user interface elements. Also, I have tried to update all of the contributed external programs to their latest release. Updated programs include: Phylip Treetool LoopTool Readseq Blast Fasta Improved versions of printing, and translate are included as well. As for new editing features, a useful "yanking" feature has been added by Scott Ferguson from Exxon Research, and the capability to export the colormap for a seqeunce (see appendicies A/C). Among the bugs fixed in this release are: Selection mask problems when exporting to Genbank (fixed in 2.1) Memory leaks (fixed in 2.1) Correct handling of circular sequences More liberal interpretation of Genbank formatted files. (not column dependent) .c.System Requirements GDE 2.2 currently runs on the Sun family of workstations. This includes the Sun3 and Sun4 (Sparcstation) systems. It was written in XView, and runs on Suns using OpenWindows 3.0 or MIT's X Windows. It runs in both monochrome, and color, and can be run remotely on any system capable of running X Windows Release 4. You should have at least 15 meg of free disk space available. The binay release for SparcStations was compiled under SunOS 4.1.2 and Openwindows 3.0. We are also supporting a DECStation version of GDE. This is running under XView 3.0/X11R5. We encourage interested people to port the programs to their favorite Unix platform. There are informal ports to the SGI line of unix machines. .c.Note to Motif users GDE2.2 can be run using different window managers. The most common alternative to olwm is the Motif window manager (mwm). The only problem in using another window manager is that the status line is not displayed. We have added a "Message panel" as an option under "File- >Properties" which displays all of the information contained on the status line. People using other window managers may also prefer using xterm, and xedit as default terminals and file editors. This can be accomplished by replacing all occurrences of 'shelltool' and 'textedit' with 'xterm -e' and 'xedit' in the $GDE_HELP_DIR/.GDEmenus file. .c.Installing the GDE Instructions for the source code release are included in the README.install file. The binary installations consist of creating a GDE directory, such as /usr/local/GDE, and un-taring the installation tarfile into the directory. If you are installing the GDE for your own use, then you can simply make a GDE subdirectory. There is no need to be superuser (root) to do the installation in your own directory. For example: demo% mkdir /usr/local/GDE demo% cp GDE2.2.tar /usr/local/GDE demo% cd /usr/local/GDE demo% tar -xf GDE2.2.tar After this, each new user will need to add two lines to their .cshrc file so that they can find the gde programs and files. demo% cat >> ~/.cshrc set path = ($path /usr/local/GDE/bin) setenv GDE_HELP_DIR /usr/local/GDE/help/ ^D You may wish to make a copy of the .GDEmenus file from the help directory into your home directory. This is only necessary if you wish to modify your menus. Copy the demo files from /usr/local/GDE/demo into your local directory, and you are now ready to use the GDE. FastA and Blast need to have the properly formatted databases installed in the $GDE_HELP_DIR under the directories FASTA/PIR, FASTA/GENBANK, BLAST/pir BLAST/genbank. For FASTA, simply copy a version of PIR and Genbank into the proper directory. Alternately, the PIR and GENBANK files can be symbolic links to copies of Genbank held elsewhere on your system. You may need to look at the .GDEmenus file in $GDE_HELP_DIR to verify that you are using the same divisions for these databases. Blast installation involves converting PIR and GENBANK to a temporary FASTA format (using pir2fasta and gb2fasta) and then using pressdb for nucleic acid, and setdb for amino acid to reformat the databases again into blast format. The .GDEmenus file is currently set up to search with blast using the following databases: pir, genpept, genupdate, and genbank. If you wish to divide these into subdivisions, then the .GDEmenus file will have to be edited. The most up to date release of blast can be obtained via anonymous ftp to ncbi.nlm.nih.gov. The most recent release of FASTA can be obtained via anonymous ftp to uvaarpa.virginia.edu. It is strongly recommended that you retrieve these copies, and become familiar with their setup. .c.Using the GDE It is assumed that the user is familiar with the Unix, and OpenWindows/Xwindows environments. It is also assumed that people running standard MIT X- Windows will be using the OpenLook window manager (olwm). Other window managers work with varied success. If you are not certain as to how your system is set up, please contact your systems administrator. Once the window system has started, and a terminal window (xterm, shelltool etc.) you can start up the GDE by typing: demo% gde tRNAs This should load the sample data set tRNAs into GDE, and the following window should appear: This is the sequence alignment editor. It consists of a color alignment display, a set of command menus, horizontal and vertical scroll bars to navigate the alignment, a list of short sequence names (usually the LOCUS of a Genbank entry), and a status line. The cursor is located in the upper left corner. Using the Mouse The mouse follow OpenLook standards for operation. The functions for each button are: The left mouse button is used for placing the cursor, selecting sequences by their short names, scrolling/paging, performing split screens, and resizing. The right button is used for pop up menus, and scrollbar menus. The middle button is used for extending a text selection. Cursor Movement The cursor can be moved using the arrow keys, or by clicking the mouse within a sequence. The cursors position is displayed on the status line in both sequence position and alignment column number. The right hand side of the status line shows the left and right column positions of the currently active display. Scrolling is controlled by the scrollbar elevator. By clicking (left mouse button) on one of the elevator arrows, the screen will scroll one character in that direction. By dragging the elevator center, the screen can be moved directly to any location. By clicking directly to one side of the elevator, the screen will scroll one full screen in that direction. And by clicking on the scrollbar anchor, the elevator will move to that anchor. Scrollbars also have menus associated with them giving other scroll options. Use the right mouse button to activate the menu. Selecting Sequences Sequence selection is necessary before most functions can be performed. Selecting sequences is accomplished by clicking or dragging (left button) over the short name associated with the sequence(s). The name of the sequence should become highlighted on the release of the mouse button. By holding down the shift key, you can toggle the selection on or off for any set of sequences. By clicking just to the right of any sequence short name, you will deselect all of them. Selecting Text Selecting text is accomplished in much the same way as selecting entire sequences. In the editing window, you can drag the mouse pointer over a rectangular region the select a block of text. By using the shift key (or the middle mouse button) you can adjust the selection to include other sequences, or other columns of text. If groups are enabled, GDE will automatically select all sequences in a group if any one sequence in a group is selected (See Sequence Editing). Sequence Protection All sequences can be individually protected against accidental modification. This is accomplished by selecting the set of sequences that you are interested in editing, and choosing the "Set protections" menu item under the File menu. Your choices are: Unambiguous modification Changing/adding/deleting regular characters Ambiguous changes Changing ambiguous codes ('N', 'X'...) Alignment modifications Changing alignment gaps ('-', '~') Sequence Editing Sequences can be edited by simply typing to insert, and using the delete or backspace key to delete characters. Sequences must have the proper protections set to allow the type of modifications that you are attempting. The default protection level only allows modification to the alignment, but not to the sequences themselves. The Sun function keys, cut, copy and paste are used to edit selected text. Text selections work in rectangular (possibly disjointed) regions. You can cut or copy a block of sequence text, and paste it to a new cursor location using these three keys. Sequence Yanking: Yanking referes to the "pulling" of a base to fill a gapped position like beads on an abacus. Place the cursor over a gap character, and type k to yank the character from the left into the current position. Type l to pull the character from the right. Repeat counts are honored ("20 l" will yank 20 characters from the right). Repeat Counts By typing a numeric value before an editing function you can insert, delete or move a number of characters at a time. The current repeat count is displayed on the status line, and can be cleared by clicking the left mouse button in the alignment window. In order to insert twenty gaps into a sequence, one would type "20-". In order to move down five sequences, one would type "5¯". This works with all sequence types, however the meta (diamond) key must be held down when the cursor is in a text or mask sequence. This is because numbers are valid characters in these sequences, and would otherwise be confused with repeat counts. Split Screen Split screen editing allows the viewing one region while editing another. This is very useful for aligning "downstream" regions by editing "upstream". The alignment window can be split horizontally into two or more windows into the alignment. These windows scroll independently of each other both horizontally and vertically. The short names displayed to the left of the alignment correspond to the window that was last scrolled or edited. Care should be taken in any modifications done in this mode so that edits are performed on the correct sequence. To avoid confusion during split screen operations, the vertical scroll bars may be locked so that all windows scroll together. In order to split a window into two views, grab (left button) the left or right anchor (small rectangle) at either end of the horizontal scrollbar and drag to the middle of the window. This should split the window into two views. To join two views, place the mouse pointer on the horizontal scroll bar use the menu (right button) . The views are NOT two copies of the alignment. Changes in one window are reflected in the other. Users should not be confused by this fact. Sequence Grouping Sequences can be grouped for editing functions. This is very helpful when trying to adjust several sub alignments. When grouped, all sequences within a group will be affected by editing in any member of the group. All sequences within a group must have protections set to allow modification before any one will be modified. In order to group sequences, select the names of the sequences that should fall within a group, and select Group under the Edit menu. A number will be placed at the left of the sequence representing its assigned group number. To any sequence or sequences, the user selects those sequences and uses the Ungroup command under the Edit menu. Special keys There are also a few special function keys used in the GDE. Some functions have meta key equivalences so that they can be called from the keyboard, instead of by the menu system. The "meta" key is a standard property of X windows, and may be remapped to a different key symbol for different keyboards. For example, meta on Sun workstations is represented with a à, where on a Macintosh running MacX it might be the "apple" key. The operation of the key is the same as the control or shift key, it is held down while pressing the second key in the sequence. Cut text, copy text and paste text are mapped to the Openlook equivalent keys (L10, L6, and L8 on Sun keyboards). Other meta keys are defined in the .GDEmenus file, and may be changed to suit your preferences. .c.Data Types The GDE supports several data types. The data types supported in 2.2 are DNA, RNA, protein (single letter codes), mask sequence, and text. DNA and RNA Nucleic acid sequences are tightly type cast, and can contain any IUPAC code (ACGTUM RSVWYHKDBN) as well as two alignment gap characters ('~' and '-'). Some keys are remapped to fit IUPAC codes. For example, 'X' is mapped to 'N'. All nonstandard characters get mapped to the alignment gap '-'. Upper and lower case are both supported, and the T/U characters are mapped based on whether you are working with DNA or RNA. The color coding for DNA and RNA is identical. The color for ambiguous characters, and for alignment gaps is grey. Amino Acid Sequence Amino acid sequences are loosely type cast, and can contain any valid ASCII character. The results of analysis on nonstandard characters is not guaranteed. The color for nonstandard amino acid characters, and for alignment gaps is grey. Text Sequence Any valid ASCII printable character can be entered into a text sequence. Care should be taken with using space characters, as these will only be saved properly in Genbank format, and not in flat file format. The characters @#% and " should be avoided as well, as these can confuse the reading of flat files if saved in that format. Mask Sequence Mask sequence is identical to text sequence with the following exceptions. Mask sequence can have the ability (function dependent) of masking out positions in an alignment for analysis. If a mask sequence is selected along with some other sequence(s) for an analysis function that permits masking, then all columns that contain a '0' in the mask sequence will be ignored by the function. The mask itself would not be passed to the analysis function either. Some functions allow masking, some do not. Refer to the instruction page for each function to see whether or not it supports sequence masking. Color Masks Color masks give color to a sequence on a position by position basis. Individual sequences can have color masks attached to them, or one color mask can be used for an entire alignment. Color masks are generated externally by some analysis functions, and are then passed back to the GDE. The file format for a colormask is described in Appendix A. .c.Menu Functions: File menu The GDE has several built-in menu functions under the File and Edit menus. These functions are unique in that they are part of the primary display editor, and are not described in the .GDEmenus file. Open... Selecting this will bring up the open file dialog box. Users can scroll through a list of files in the current directory, move up and down the directory tree, and open any individual data file. The sequence data in that file is loaded into the current editing window below any existing sequences. The open command will open any Genbank formatted file, or a GDE flat file. Save as... This function will save the entire alignment to a specified file in either Genbank or flat file format. The file will be saved in the local directory unless a relative or absolute path is specified. Properties... Properties controls the display settings. Those settings include character size, color type, and insert direction. The screen can also be inverted, vertical scroll lock and keyboard clicks (tactile feedback) can be turned on or off. Vertical scrollbar lock will cause all split views to scroll together in the vertical direction. Protections... This will display, and then set the default protections for all selected sequences. If two or more of the sequences differ in their current protection settings, a warning message will appear in the protection dialog box. The protections currently available are alignment gap protection, ambiguous character protection, unambiguous character protection, and translation protection. Get info... This option allows the viewing and setting of attributes associated with each individual sequence. These attributes include short name, full name, description, author, comments, and the sequence type. The attributes loosely correspond to fields in a Genbank entry. Comments can be included for each sequence in the comments field. .c2. Edit menu Select All Selects all sequences. This is helpful when you have several dozen sequences. Select by name... Select all sequences containing a given string in their short names field. No wild cards are allowed, and only selecting is allowed, not de-selecting. The search is started when the Return key is pressed, and multiple searches can be accumulated. Press Done when finished. Cut/Copy/Paste sequences Cut copy and paste are primarily useful for reordering sequences, and for making duplicate copies of a given sequence. They do not pass information to other programs. This capability will be implemented in a later release. Cut and copy will place the selected sequences on an internal clipboard. They can then be pasted back into the top of editing window (default) or under the last selected sequence. Group/Ungroup Assign a group number to the selected sequences. Edit operations in any one sequence within the group will be propagated to all within the group. Sequence protections from one group are also imposed upon all other sequence in the given group. If a given operation is illegal in one sequence in a group (i.e. alignment modification) then it will not work in any of the sequences in that group. Ungroup will remove the selected sequences from a given group. Compress Compress will remove gap characters from the selected sequences. The user has the option of removing all gaps, or simply all columns containing nothing but gaps. This is useful for minimizing the length of a subalignment. Reverse Sequence Reverses the selected sequences. Alignment gaps are reversed as well. The selected sequences will remain aligned after reversal. .c2. DNA/RNA menu Complement Sequence Converts DNA/RNA into its complement strand (keeping full IUPAC ambiguity). This function has no effect on text, protein, or mask sequence. Note that this function does not produce the reverse strand of DNA but merely converts A<->T and G<- >C. If the reverse strand is needed, remember to Complement and Reverse the sequence (Edit menu). .c.External Functions See appendix C for a full description of functions supported in GDE 2.2 All external functions are described in the configuration file .GDEmenus. Here is a brief description of some of the basic functions included. File menu New Sequence Create a new sequence. Prompts for sequence type, and short name. Import foreign format Export foreign format Load and save sequences using Readseq by Don Gilbert (see Appendix C). Save Selection Save the currently selected sequences in a specified file. Pretty print Print using the sequence formatter supplied by Readseq. Print Selection Print the selected sequences to the chosen printer. This function supports the Unix command enscript as well as lpr. The .GDEmenus file may need to be modified to add the names of local printers to the printer list. Edit menu sort... Sort the selected sequences by a primary and secondary key. Pass the new order to a new GDE window. Extract Extract the selected sequences into a new window. DNA/RNA Menu Translate Translate the selected sequences from DNA/RNA to Amino acid. The user can specify the desired reading frame, and the minimum open reading frame (stop codon to stop codon) to translate. The user can also choose between single letter code and triple letter codes. There is also an option to allow each ORF to to be entered as a seperate sequence. Dot plot Display a dotplot identity matrix for the selected sequence(s). If only one sequence is selected, then the dotplot is a self comparison. If two or more sequences are selected, then the first two sequences are compared. Clustal Align Align the selected sequences using the clustalv algorithm by Des Higgins. (See Appendix C) Find All Search and highlight the selected sequences for a given substring. A specified percent of mismatching can also be allowed. Variable Positions The selected sequences are scored column by column for conservation. The result is returned as a grey scale alignment color mask. This can be useful in selecting PCR primers. Sequence Consensus Return the consensus for the selected sequences. This can either be a majority consensus, or an ambiguity consensus using IUPAC coding. Distance Matrix Calculate a distance matrix for the selected sequences. (See Appendix C) MFOLD Fold the selected sequences using MFOLD by Michael Zuker. The resulting structure is returned as a nested bracket ('[]') representation of the secondary structure.(See appendix C.) Draw Secondary Struct Draw the selected sequence using the proposed secondary structure. Both the secondary structure prediction, and the RNA sequence should be selected before calling this function. The drawing program is LoopTool. (See Appendix C) Highlight Helix Show all violations to a proposed RNA secondary structure. The secondary structure represented must be selected, as well as the aligned sequences to be tested. The selected sequences will then be colored according to whether or not they support the proposed 2¡ structure. Standard Watson/Crick paring will be colored dark blue, G-U paring will be colored light blue, mismatches will be colored gold, and pairng to gaps will be red. Blastn/BlastX Search the selected sequence (select only one) against a given database with the BLAST searching tool written by Altschul, Gish, Miller, Myers, and Lipman. Blastn searches DNA against DNA databases, blastx searches DNA against AA databases by translating the sequence in all six reading frames. (See Appendix C) FastA Search the selected sequence (select only one) against a given database using the FASTA similarity search program written by Pearson and Lipman. (See Appendix C) Protein Menu Clustal Align Align the selected amino acid sequences using the clustal algorithm. (See Appendix C) Blastp, Tblastn, Blast3 Search the selected sequence (select only one) against a given database with the BLAST searching tool written by Altschul, Gish, Miller, Myers, and Lipman. Blastp searches AA against AA databases, tblastn searches AA against DNA databases by translating the database in all six reading frames. Blast3 finds three way alignments that are could not be found with only pairwise comparisons. (See Appendix C) Sequence Management Menu Assemble contigs Assemble the selected sequences into contigs using the program CAP (Contig Assemble Program) written by Xiaoqiu Huang. The resulting sequences are returned to the current GDE window, and they are grouped into contigs. The user can then sort the sequences by group, and offset to produce an ordered list of the contigs. (See Appendix C) Strategy view Pass out the selected sequences to StratView. This program will display contigs in a greatly reduced line drawing. This is very useful for large contigs. Restriction sites Search the selected sequences for the restriction enzymes specified in the given enzyme file. The restriction sites are then colored by enzyme. Phylogeny menu DeSoete Tree fit Calculate a phylogenetic tree using a least squares fitting algorithm on a distance matrix calculated from the selected sequences. The results can then be passed on to treetool for display and manipulation. (See Appendix C) Phylip 3.5 Pass the selected data to on of the treeing programs in Phylip, written by Joe Felsenstein. The chosen phylip program is started in it's own window, with the selected sequences already loaded. (See Appendix C) Citation of work We ask that any published work using any of the external functions in GDE cite the appropriate authors. Please see Appendix C for references. .c.Bug reports/extensions Any bug reports, request for enhancement, and useful extensions to the GDE should be forwarded by electronic mail to: smith@bioimage.millipore.com Please include as much detail as possible in bug reports so that the bug can be reproduced. Correspondence should be addressed to: Steven Smith Millipore Imaging Systems 777 E. Eisenhower Pkwy Ann Arbor, MI 48108 .c.Acknowledgments I would like to thank the following people for their input and assistance and code used in the development of the GDE: Carl Woese, Gary Olsen and Mike Maciukenas at University of Illinois Dept of Microbiology, Ross Overbeek at Argonne National Laboratories,Walter Gilbert, Patrick Gillevet, Chunwei Wang, Susan Russo and Erik Bunce at the Harvard Genome Laboratory. I would also like to personally thank the following people for their permission to include their software with this release of GDE. Tim Littlejohn Scott Ferguson Brian Fristensky Des Higgins David Lipman and the group at NCBI William Pearson Don Gilbert Xiaoqui Huang Joe Felsenstein Michael Zuker Geert DeSoete Many thanks to all the people who have directly and indirectly helped with the ongoing support of GDE. It is only by the generosity of these people that GDE has been successful. .c.Appendix A, File Formats The currently supported file formats include GDE data files, Genbank formatted files (with type extensions), a generic flat file format, and a color mask file. GDE format GDE format is a tagged field format used for storing all available information about a sequence. The format matches very closely the GDE internal structures for sequence data. The format consists of text records starting and ending with braces ('{}'). Between the open and close braces are several tagged field lines specifying different pieces of information about a given sequence. The tag values can be wrapped with double quote characters ('""') as needed. If quotes are not used, the first whitespace delimited string is taken as the value. The allowable fields are: { name "Short name for sequence" longname "Long (more descriptive) name for sequence" sequence-ID "Unique ID number" creation-date "mm/dd/yy hh:mm:ss" direction [-1|1] strandedness [1|2] type [DNA|RNA||PROTEIN|TEXT|MASK] offset (-999999,999999) group-ID (0,999) creator "Author's name" descrip "Verbose description" comments "Lines of comments that can be fairly arbitrary text about a sequence. Return characters are allowed, but no internal double quotes or brace characters. Remember to close with a double quote" sequence "gctagctagctagctagctcttagctgtagtcgtagctgatgc tagct gatgctagctagctagctagctgatcgatgctagctgatcgtagctgacg gactgatgctagctagctagctagctgtctagtgtcgtagtgcttattgc" } Any fields that are not specified are assumed to be the default values. Offsets can be negative as well as positive. Genbank entries written out in this format will have all (") converted to ('), and all ({}) converted to ([]) to avoid confusion in the parser. Leading and trailing gaps are removed prior to writing each sequence. This format is deliberately verbose in order to be simple to duplicate. Genbank format: GDE can read a concatenated list of Genbank entries, and extract certain fields from such files. The default method for storing nucleic acid, amino acid, masking sequences or text is in Genbank format. The following fields are recognized: LOCUS: Short name for this sequence (Maximum of 32 characters)  DEFINITION: Definition of sequence (Maximum of 80 characters) ORGANISM: Full name of organism (Maximum of 80 characters) AUTHORS: Authors of this sequence (Maximum of 80 characters) ACCESSION: ID Number for this sequence (Maximum of 80 characters) ORIGIN: Beginning of sequence data  // End of sequence data  All other lines are retained as comments. The LOCUS line also specifies what type of sequence follows. The form of this line is: LOCUS name size bp type date where name is the Genbank Locus name, size is total base count, type is one of DNA, RNA, PROTEIN, MASK, or TEXT and date is of the form dd-MON- yyyy. In this way, the standard Genbank format is extended to store all text, mask and protein data. The Genbank character set has also been extended in order to support these other data types. Valid characters are: DNA/RNA: Full IUPAC coding as well as '-' and '~' characters for alignment gaps Protein: All valid single letter codes plus '-' and '~'. Other ASCII characters may be inserted, however external functions may be confused by such characters. Mask: All legal printable ASCII characters. If used as a selection mask, all columns containing a '0' will be removed from any analysis. Text: All valid ASCII characters. Here is a valid Genbank entry for two E.coli tRNA's: LOCUS ECOTRNT4 76 bp RNA 28-JAN-1991 DEFINITION E. coli (T4 infected) vulnerable tRNA (A). ORGANISM Escherichia coli AUTHORS Amitsur,M., Levitz,R. and Kaufmann,G. FEATURES From To/Span Description tRNA 1 76 vulnerable tRNA(A) BASE COUNT ? ORIGIN 1 GGGUCGUUAG CUCAGUUGGU AGAGCAGUUG ACUUUUAAUC AAUUGGNCGC AGGUUCGAAU 61 CCUGCACGAC CCACCA // LOCUS ECOTRQ1 75 bp RNA 28-JAN-1991 DEFINITION E.coli Gln-tRNA-1. ORGANISM Escherichia coli AUTHORS Yaniv,M. and Folk,W.R. SOURCE -REFERENCE [1] JOURNAL J. Biol. Chem. 250, 3243-3253 (1975) FEATURES From To/Span Description tRNA 1 75 Gln-tRNA-1 (NAR: 0510) refnumbr 1 1 sequence not numbered in [1] BASE COUNT ? ORIGIN 1 UGGGGUAUCG CCAAGCGGUA AGGCACCGGU UUUUGAUACC GGCAUUCCCU GGUUCGAAUC 61 CAGGUACCCC AGCCA // Flat file format: This is a simplified format for importing sequence data, and passing it out to analysis functions. Very little information is actually retained in this format, and should be used carefully so as not to lose attribute information. It is defined as follow: type_character short_name sequence_data sequence_data sequence_data ... The type character is # for DNA/RNA, % for protein sequence, @ for mask sequence, and " for text. The short name is the same as the LOCUS line in Genbank. This is followed by lines of sequence, each ending with a return character.These lines are read until the next type character is encountered, or until the end of the file is reached. Care should be taken in using this format with text as space characters are stripped automatically. As of release 2.0, flat file format allows for an optional offset to be specified in parentheses after the sequence name. An offset represents how many leading gap characters should be placed before the start of a sequence. If this offset does not exist, then it is defined to be 0. Here is a sample flat file for two Ecoli tRNA's: #ECOTRNT4 GGGUCGUUAGCUCAGUUGGUAGAGCAGUUGACUUUUAAUCAAUUGGNCGCAG GUUCGAAU CCUGCACGACCCACCA #ECOTRQ1 UGGGGUAUCGCCAAGCGGUAAGGCACCGGUUUUUGAUACCGGCAUUCCCUGG UUCGAAUC CAGGUACCCCAGCCA Color mask: The format for a color mask has been kept simple to make implementation of color functions easy. The format optionally defines which sequence to color, whether or not to color alignment gaps in the existing sequence, and how long the following mask will be. It is then followed by a list of decimal color codes (range 0 to 15) for each position in the sequence. There are four keywords used in the color mask file. Those keywords are: name:short name If short name matches a currently loaded sequence, then impose this color mask on that sequence. If this line is omitted, then color all sequences this color, and the color mask is expected to start at the leftmost column on the screen. length:length The following list in length long nodash: Skip over dash characters when imposing this color mask on the named sequence. This allows an unaligned color mask to be placed over aligned sequence. start: Begin reading the color mask on the next line. Here is a sample color mask file: name:test_sequence length:10 nodash: start: 3 3 3 6 5 3 3 3 2 7 The colors in the default color lookup table are: 0 White 8 Black 1 Yellow 9 Grey 1 2 Violet 10 Grey 2 3 Red 11 Grey 3 4 Aqua 12 Grey 4 5 Lime Green 13 Grey 5 6 Blue 14 Grey 6 7 Purple 15 White .c.Appendix B, Adding Functions The GDE uses a menu description language to define what external programs it can call, and what parameters and data to pass to each function. This language allows users to customize their own environment to suite individual needs. The following is how the GDE handles external programs when selected from a menu: Each step in this process is described in a file .GDEmenus in the user's current or home directory. The language used in this file describes three phases to an external function call. The first phase describes the menu item as it will appear, and the Unix command line that is actually run when it is selected. The second phase describes how to prompt for the parameters needed by the function. The third phase describes what data needs to be passed as input to the external function, and what data (if any) needs to be read back from its output. The form of the language is a simple keyword/value list delimited by the colon (:) character. The language retains old values until new ones are set. For example, setting the menu name is done once for all items in that menu, and is only reset when the next menu is reached. The keywords for phase one are: menu:menu name Name of current menu item:item name Name of current menu item itemmeta:meta_key Meta key equivalence (quick keys) itemhelp:help_file Help file (either full path, or in GDE_HELP_DIR) itemmethod:Unix command The item method command is a bit more involved, it is the Unix command that will actually run the external program intended. It is one line long, and can be up to 256 characters in length. It can have embedded variable names (starting with a '$') that will be replaced with appropriate values later on. It can consist of multiple Unix commands separated by semi-colons (;), and may contain shell scripts and background processes as well as simple command names. Examples will be given later. The keywords for phase two are: arg:argument_variable_name Name of this variable. It will appear in the itemmethod: line with a dollar sign ($) in front of it. argtype:slider,chooser,choice_menu or text The type of graphic object representing this argument. arglabel:descriptive label A short description of what this argument represents argmin:minimum_value (integer) Used for sliders. argmax:maximum_value (integer) Used for sliders. argvalue:default_value (integer) It is the numeric value associated with sliders or the default choice in choosers, choice_menus, and choice_lists (the first choice is 0, the second is 1 etc.) argtext:default value Used for text fields. argchoice:displayed value:passed value Used for choosers and choice_menus. The first value is displayed on screen, and the second value is passed to the itemmethod line. The keywords for phase three are as follows: in:input_file GDE will replace this name with a randomly generated temporary file name. It will then write the selected data out to this file. informat:file_format Write data to this file for input to this function. Currently support values are Genbank, and flat. inmask: This data can be controlled by a selection mask. insave: Do not remove this file after running the external function. This is useful for functions put in the background. out:output_file GDE will replace this name with a randomly generated temporary file name. It is up to the external function to fill this file with any results that might be read back into the GDE. outformat:file_format The data in the output file will be in this format. Currently support values are colormask, Genbank, and flat. outsave: Do not remove this file after reading. This is useful for background tasks. outoverwrite: Overwrite existing sequences in the current GDE window. Currently supported with "gde" format only. Here is a sample dialog box, and it's entry in the .GDEmenus file: Using the default parameters given in the dialog box, the executed Unix command line would be: (tr '[a-z]' '[A-Z]' < .gde_001 >.gde_001.tmp ; mv .gde_001.tmp CAPS ; gde CAPS -Wx medium ; rm .gde_001 ) & where .gde_001 is the name of the temporary file generated by the GDE which contains the selected sequences in flat file format. Since the GDE runs this command in the background ('&' at the end) it is necessary to specify the insave: line, and to remove all temporary files manually. There is no output file specific because the data is not loaded back into the current GDE window, but rather a new GDE window is opened on the file. A simpler command that reloads the data after conversion might be: item:All caps itemmethod:tr '[a-z]' '[A-Z]' OUTPUT in:INPUT informat:flat out:OUTPUT outformat:flat In this example, no arguments are specified, and so no dialog box will appear. The command is not run in the background, so the GDE can clean up after itself automatically. The converted sequence is automatically loaded back into the current GDE window. In general, the easiest type of program to integrate into the GDE is a program completely driven from a Unix command line. Interactive programs can be tied in (MFOLD for example), however shell scripts must be used to drive the parameter entry for these programs. Programs of the form: program_name -a1 argument1 -a2 arguement2 -f inputfile -er errorfile > outputfile can be specified in the .GDEmenus file directly. As this is the general form of most one Unix commands, these tend to be simpler to implement under the GDE. As functions grow in complexity, they may begin to need a user interface of their own. In these cases, the command line calling arguments are still necessary in order to allow the GDE to hand them the appropriate data, and possible retrieve results after some external manipulation. .c.Appendix C, External functions ClustalV - Cluster multiple sequence alignment Author: Des Higgins. Reference: Higgins,D.G. Bleasby,A.J. and Fuchs,R. (1991) CLUSTAL V: improved software for multiple sequence alignment. ms. submitted to CABIOS Parameters: k-tuple pairwise search Word size for pairwise comparisons Window size Smaller values give faster alignments, larger values are more sensitive. Transitions weighted Can weight transitions twice as high as transversions (DNA only). Fixed gap penalty Gap insertion penalty, lower value, more gaps Floating gap penalty Gap extension penalty, lower value, longer gaps Comments: ClustalV is a directed multiple sequence alignment algorithm that aligns a set of sequences based on their level of similarity. It first uses a Lipman Peasron pairwise similarity scoring to find "clusters" of similar sequences, and pre- aligns those sequences. It then adds other sequences to the alignment in the order of their similarity so as to produce the cleanest alignment. Warning: ClustalV only uses unambiguous character codes. It will also convert all sequences to upper case in the process of aligning. Clustal does not pass back comments, author etc. Be sure to keep copies of your sequences if you do not wish to lose this information. MFOLD - RNA secondary prediction Author: Michael Zuker Reference: M. Zuker On Finding All Suboptimal Foldings of an RNA Molecule. Science, 244, 48-52, (1989) J. A. Jaeger, D. H. Turner and M. Zuker Improved Predictions of Secondary Structures for RNA. Proc. Natl. Acad. Sci. USA, BIOCHEMISTRY, 86, 7706-7710, (1989) J. A. Jaeger, D. H. Turner and M. Zuker Predicting Optimal and Suboptimal Secondary Structure for RNA. in "Molecular Evolution: Computer Analysis of Protein and Nucleic Acid Sequences", R. F. Doolittle ed. Methods in Enzymology, 183, 281-306 (1989) Parameters: Linear/circular RNA fold ct File to save results Comments: MFOLD passes it's output to a program Zuk_to_gen that translates the secondary structure prediction to a nested bracket ([]) notation. This notation can then be used in the Highlight Helix, and Draw Secondary structure (LoopTool) functions. MFOLD currently does not support much in the way of additional parameters. We hope to have all additional parameters available soon. Blast - Basic Local Alignment Search Tool Reference: Karlin, Samuel and Stephen F. Altschul (1990). Methods for assessing the statistical significance of molecular sequence features by using general scoring schemes, Proc. Natl. Acad. Sci. USA 87:2264-2268. Altschul, Stephen F., Warren Gish, Webb Miller, Eugene W. Myers, and David J. Lipman (1990). Basic local alignment search tool, J. Mol. Biol. 215:403-410. Altschul, Stephen F. (1991). Amino acid substitution matrices from an information theoretic perspective. J. Mol. Biol. 219:555-565. Parameters: Which Database Which nucleic or amino acid database to search. Word Size Length of initial hit. after locating a match of this length, alignment extension is attempted. Blastn Match score Score for matches in secondary alignment extension Mismatch score Score for mismatches in secondary alignment extension Blastx, tblastn, blastp, blast3 Substitution Matrix PAM120 or PAM250 Comments: The report is loaded into a text editor. This should be saved as a new file as the default file is removed after execution. The latest version of blast can be obtained via anonymous ftp to ncbi.nlm.nih.gov. FastA - Similarity search Reference: W. R. Pearson and D. J. Lipman (1988), "Improved Tools for Biological Sequence Analysis", PNAS 85:2444-2448 W. R. Pearson (1990) "Rapid and Sensitive Sequence Comparison with FASTP and FASTA" Methods in Enzymology 183:63-98 Parameters: Database Which database to search Number of alignments to report SMATRIX Which similarity matrix to use Comments: The FastA package includes several additional programs for pairwise alignment. We have only included a bare bones link to FastA. We hope to include a more complete setup for the actual 2.2 release. Assemble Contigs - CAP Contig Assembly Program Author - Xiaoqiu Huang Department of Computer Science Michigan Technological University Houghton, MI 49931 E-mail: huang@cs.mtu.edu Minor modifications for I/O by S. Smith Reference - "A Contig Assembly Program Based on Sensitive Detection of Fragment Overlaps" (submitted to Genomics, 1991) Parameters: Minimum overlap Number of bases required for overlap Percent match within overlap Percentage match required in the overlap region before merge is alowwed. Comments: CAP returns the aligned sequences to the current editor window. The sequences are placed into contigs by setting the groupid. Cap does not change the order of the sequences, and so the results should be sorted by group and offset (see sort under the Edit menu). Lsadt - Least squares additive tree analysis Author: Geert De Soete, 'C' implementation by Mike Maciukenas University of Illinois Reference:LSADT, 1983 Psychometrika, 1984 Quality and Quantity Parameters: Distance correction to use in distance matrix calculations (see count below). What should be used for initial parameters estimates Random number seed Display method (See TreeTool below) Comments: The program has been rewritten in 'C' and will be included with the rRNA Database phylogenetic package being written at the University of Illinois Department of Microbiology. Count is a short program to calculate a distance matrix from a sequence alignment (see below). Count - Distance matrix calculator Author: Steven Smith Parameters: Correction method Currently Jukes-Cantor or none Include dashed columns Match upper case to lower Comments: Passes back a distance matrix in a format readable by LSADT. Treetool - Tree drawing/manipulation Author: Michael Maciukenas, University of Illinois Comments: See included documentation for TreeTool usage. Readseq - format conversion program Author: Don Gilbert Parameters: Many, but can easily be run in interactive mdoe. Comments: Readseq is a very useful program for format conversion. The latest versionsupports over a dozen different file formats, as well as formating capabilities for publication. GDE makes of Readseq for importing and exporting seqeuences as well as a filtering tool to some external functions. Lsadt - Least squares additive tree analysis Author: Geert De Soete, 'C' implementation by Mike Maciukenas University of Illinois Reference:LSADT, 1983 Psychometrika, 1984 Quality and Quantity Parameters: Distance correction to use in distance matrix calculations (see count below). What should be used for initial parameters estimates Random number seed Display method (See TreeTool below) Comments: The program has been rewritten in 'C' and will be included with the rRNA Database phylogenetic package being written at the University of Illinois Department of Microbiology. Count is a short program to calculate a distance matrix from a sequence alignment (see below). Count - Distance matrix calculator Author: Steven Smith Parameters: Correction method Currently Jukes-Cantor or none Include dashed columns Match upper case to lower Comments: Passes back a distance matrix in a format readable by LSADT. Copyright Notice The Genetic Data Environment (GDE) software and documentation are not in the public domain. Portions of this code are owned and copyrighted by the The Board of Trustees of the University of Illinois and by Steven Smith. External functions used by GDE are the proporty of, their respective authors. This release of the GDE program and documentation may not be sold, or incorporated into a commercial product, in whole or in part without the expressed written consent of the University of Illinois and of its author, Steven Smith. All interested parties may redistribute the GDE as long as all copies are accompanied by this documentation, and all copyright notices remain intact. Parties interested in redistribution must do so on a non-profit basis, charging only for cost of media. Modifications to the GDE core editor should be forwarded to the author Steven Smith. External programs used by the GDE are copyright by, and are the property of their respective authors unless otherwise stated. While all attempts have been made to insure the integrity of these programs: Disclaimer THE UNIVERSITY OF ILLINOIS, HARVARD UNIVERSITY AND THE AUTHOR, STEVEN SMITH GIVE NO WARRANTIES, EXPRESSED OR IMPLIED FOR THE SOFTWARE AND DOCUMENTATION PROVIDED, INCLUDING, BUT NOT LIMITED TO WARRANTY OF MERCHANTABILITY AND WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE. User understands the software is a research tool for which no warranties as to capabilities or accuracy are made, and user accepts the software "as is." User assumes the entire risk as to the results and performance of the software and documentation. The above parties cannot be held liable for any direct, indirect, consequential or incidental damages with respect to any claim by user or any third party on account of, or arising from the use of software and associated materials. This disclaimer covers both the GDE core editor and all external programs used by the GDE.   Required field ./arbsrc_9167/GDEHELP/genhelp.sh0000755012664100000130000000101311440743001016155 0ustar arb_buildcoders#!/bin/bash if [ -z "$4" ] ; then echo "Usage: genhelp.sh outputfile title header inputtext" echo " Generates help pre-source 'outputfile' from 'inputtext'" exit 1 fi OUTPUTFILE=$1 TITLE=$2 HEADER=$3 INPUTTEXT=$4 if [ \! -f $HEADER ]; then echo "Header '$HEADER' not found" exit 1 fi if [ \! -f $INPUTTEXT ]; then echo "Input '$INPUTTEXT' not found" exit 1 fi write_help() { echo "$TITLE" echo "" cat $HEADER sed -e 's/^/ /' < $INPUTTEXT } write_help > $OUTPUTFILE ./arbsrc_9167/GDEHELP/genhelptree.sh0000755012664100000130000000212111213220015017027 0ustar arb_buildcoders#!/bin/bash if [ -z "$5" ] ; then # need at least 2 'inputtext's echo "Usage: genhelptree.sh outputfile title header [inputtext]+" echo " Generates help pre-sources 'outputfile_*' from several 'inputtext's" echo " Creates an index page." exit 1 fi INDEXFILE=$1 MAINTITLE=$2 HEADER=$3 shift;shift;shift BASE=`echo $INDEXFILE | sed -e 's/^.*\///' | sed -e 's/.help//'` PREFIX=`echo $INDEXFILE | sed -e 's/\/[^\/]*$//'` echo "BASE='$BASE' PREFIX='$PREFIX'" write_index() { echo "$BASE document index" echo "" echo "Documents provided with $BASE:" echo "" # cat $HEADER while [ \! -z "$1" ]; do SUBBASE=`echo $1 | sed -e 's/^.*\///'` ESCAPED_SUBBASE=`echo $SUBBASE | sed -e 's/\./_/'` echo " - LINK{agde_${BASE}_sub_${ESCAPED_SUBBASE}.hlp}" shift done } write_index $* > $INDEXFILE while [ \! -z "$1" ]; do SUBBASE=`echo $1 | sed -e 's/^.*\///'` ESCAPED_SUBBASE=`echo $SUBBASE | sed -e 's/\./_/'` ./genhelp.sh $PREFIX/${BASE}_sub_$ESCAPED_SUBBASE.help "$SUBBASE" $HEADER $1 shift done # exit 1 ./arbsrc_9167/GDEHELP/genmenu.header0000644012664100000130000000037411213220015017006 0ustar arb_buildcoders// -------------------------------------------------------------------------------- // This file has been generated from the corresponding *.menu file // DO NOT EDIT! // -------------------------------------------------------------------------------- ./arbsrc_9167/GDEHELP/HELP_PLAIN/CAP2.help0000644012664100000130000001570011440743001017216 0ustar arb_buildcoders CONTIG ASSEMBLY PROGRAM (CAP) copyright (c) 1991 Xiaoqiu Huang The distribution of the program is granted provided no charge is made and the copyright notice is included. Proper attribution of the author as the source of the software would be appreciated: "A Contig Assembly Program Based on Sensitive Detection of Fragment Overlaps" (submitted to Genomics, 1991) Xiaoqiu Huang Department of Computer Science Michigan Technological University Houghton, MI 49931 E-mail: huang@cs.mtu.edu The CAP program uses a dynamic programming algorithm to compute the maximal-scoring overlapping alignment between two fragments. Fragments in random orientations are assembled into contigs by a greedy approach in order of the overlap scores. CAP is efficient in computer memory: a large number of arbitrarily long fragments can be assembled. The time requirement is acceptable; for example, CAP took 4 hours to assemble 1015 fragments of a total of 252 kb nucleotides on a Sun SPARCstation SLC. The program is written in C and runs on Sun workstations. Below is a description of the parameters in the #define section of CAP. Two specially chosen sets of substitution scores and indel penalties are used by the dynamic programming algorithm: heavy set for regions of low sequencing error rates and light set for fragment ends of high sequencing error rates. (Use integers only.) Heavy set: Light set: MATCH = 2 MATCH = 2 MISMAT = -6 LTMISM = -3 EXTEND = 4 LTEXTEN = 2 In the initial assembly, any overlap must be of length at least OVERLEN, and any overlap/containment must be of identity percentage at least PERCENT. After the initial assembly, the program attempts to join contigs together using weak overlaps. Two contigs are merged if the score of the overlapping alignment is at least CUTOFF. The value for CUTOFF is chosen according to the value for MATCH. DELTA is a parameter in necessary conditions for overlap/containment. Those conditions are used to quickly reject pairs of fragments that could not possibly have an overlap/containment relationship. The dynamic programming algorithm is only applied to pairs of fragments that pass the screening. A large value for DELTA means stringent conditions, where the value for DELTA is a real number at least 8.0. POS5 and POS3 are fragment positions such that the 5' end between base 1 and base POS5, and the 3' end after base POS3 are of high sequencing error rates, say more than 5%. For mismatches and indels occurring in the two ends, light penalties are used. A file of input fragments looks like: >G019uabh ATACATCATAACACTACTTCCTACCCATAAGCTCCTTTTAACTTGTTAAA GTCTTGCTTGAATTAAAGACTTGTTTAAACACAAAAATTTAGAGTTTTAC TCAACAAAAGTGATTGATTGATTGATTGATTGATTGATGGTTTACAGTAG GACTTCATTCTAGTCATTATAGCTGCTGGCAGTATAACTGGCCAGCCTTT AATACATTGCTGCTTAGAGTCAAAGCATGTACTTAGAGTTGGTATGATTT ATCTTTTTGGTCTTCTATAGCCTCCTTCCCCATCCCCATCAGTCTTAATC AGTCTTGTTACGTTATGACTAATCTTTGGGGATTGTGCAGAATGTTATTT TAGATAAGCAAAACGAGCAAAATGGGGAGTTACTTATATTTCTTTAAAGC >G028uaah CATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTGAATTAAAGACTTGTT TAAACACAAAATTTAGACTTTTACTCAACAAAAGTGATTGATTGATTGAT TGATTGATTGATGGTTTACAGTAGGACTTCATTCTAGTCATTATAGCTGC TGGCAGTATAACTGGCCAGCCTTTAATACATTGCTGCTTAGAGTCAAAGC ATGTACTTAGAGTTGGTATGATTTATCTTTTTGGTCTTCTATAGCCTCCT TCCCCATCCCATCAGTCT >G022uabh TATTTTAGAGACCCAAGTTTTTGACCTTTTCCATGTTTACATCAATCCTG TAGGTGATTGGGCAGCCATTTAAGTATTATTATAGACATTTTCACTATCC CATTAAAACCCTTTATGCCCATACATCATAACACTACTTCCTACCCATAA GCTCCTTTTAACTTGTTAAAGTCTTGCTTGAATTAAAGACTTGTTTAAAC ACAAAATTTAGACTTTTACTCAACAAAAGTGATTGATTGATTGATTGATT GATTGAT >G023uabh AATAAATACCAAAAAAATAGTATATCTACATAGAATTTCACATAAAATAA ACTGTTTTCTATGTGAAAATTAACCTAAAAATATGCTTTGCTTATGTTTA AGATGTCATGCTTTTTATCAGTTGAGGAGTTCAGCTTAATAATCCTCTAC GATCTTAAACAAATAGGAAAAAAACTAAAAGTAGAAAATGGAAATAAAAT GTCAAAGCATTTCTACCACTCAGAATTGATCTTATAACATGAAATGCTTT TTAAAAGAAAATATTAAAGTTAAACTCCCCTATTTTGCTCGTTTTTGCTT ATCTAAAATACATTCTGCACAATCCCCAAAGATTGATCATACGTTAC >G006uaah ACATAAAATAAACTGTTTTCTATGTGAAAATTAACCTANNATATGCTTTG CTTATGTTTAAGATGTCATGCTTTTTATCAGTTGAGGAGTTCAGCTTAAT AATCCTCTAAGATCTTAAACAAATAGGAAAAAAACTAAAAGTAGAAAATG GAAATAAAATGTCAAAGCATTTCTACCACTCAGAATTGATCTTATAACAT GAAATGCTTTTTAAAAGAAAATATTAAAGTTAAACTCCCC A string after ">" is the name of the following fragment. Only the five upper-case letters A, C, G, T and N are allowed to appear in fragment data. No other characters are allowed. A common mistake is the use of lower case letters in a fragment. To run the program, type a command of form cap file_of_fragments The output goes to the terminal screen. So redirection of the output into a file is necessary. The output consists of three parts: overview of contigs at fragment level, detailed display of contigs at nucleotide level, and consensus sequences. '+' = direct orientation; '-' = reverse complement The output of CAP on the sample input data looks like: #Contig 1 #G022uabh+(0) TATTTTAGAGACCCAAGTTTTTGACCTTTTCCATGTTTACATCAATCCTGTAGGTGATTG GGCAGCCATTTAAGTATTATTATAGACATTTTCACTATCCCATTAAAACCCTTTATGCCC ATACATCATAACACTACTTCCTACCCATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTG AATTAAAGACTTGTTTAAACACAAAA-TTTAGACTTTTACTCAACAAAAGTGATTGATTG ATTGATTGATTGATTGAT #G028uaah+(145) CATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTGAATTAAAGACTTGTTTAAACACAAA A-TTTAGACTTTTACTCAACAAAAGTGATTGATTGATTGATTGATTGATTGATGGTTTAC AGTAGGACTTCATTCTAGTCATTATAGCTGCTGGCAGTATAACTGGCCAGCCTTTAATAC ATTGCTGCTTAGAGTCAAAGCATGTACTTAGAGTTGGTATGATTTATCTTTTTGGTCTTC TATAGCCTCCTTCCCCATCCC-ATCAGTCT #G019uabh+(120) ATACATCATAACACTACTTCCTACCCATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTG AATTAAAGACTTGTTTAAACACAAAAATTTAGAGTTTTACTCAACAAAAGTGATTGATTG ATTGATTGATTGATTGATGGTTTACAGTAGGACTTCATTCTAGTCATTATAGCTGCTGGC AGTATAACTGGCCAGCCTTTAATACATTGCTGCTTAGAGTCAAAGCATGTACTTAGAGTT GGTATGATTTATCTTTTTGGTCTTCTATAGCCTCCTTCCCCATCCCCATCAGTCTTAATC AGTCTTGTTACGTTATGACT-AATCTTTGGGGATTGTGCAGAATGTTATTTTAGATAAGC AAAA-CGAGCAAAAT-GGGGAGTT-A-CTT-A-TATTT-CTTT-AAA--GC #G023uabh-(426) GTAACGT-ATGA-TCAATCTTTGGGGATTGTGCAGAATGT-ATTTTAGATAAGCAAAAAC GAGCAAAATAGGGGAGTTTAACTTTAATATTTTCTTTTAAAAAGCATTTCATGTTATAAG ATCAATTCTGAGTGGTAGAAATGCTTTGACATTTTATTTCCATTTTCTACTTTTAGTTTT TTTCCTATTTGTTTAAGATCGTAGAGGATTATTAAGCTGAACTCCTCAACTGATAAAAAG CATGACATCTTAAACATAAGCAAAGCATATTTTTAGGTTAATTTTCACATAGAAAACAGT TTATTTTATGTGAAATTCTATGTAGATATACTATTTTTTTGGTATTTATT #G006uaah-(496) GGGGAGTTTAACTTTAATATTTTCTTTTAAAAAGCATTTCATGTTATAAGATCAATTCTG AGTGGTAGAAATGCTTTGACATTTTATTTCCATTTTCTACTTTTAGTTTTTTTCCTATTT GTTTAAGATCTTAGAGGATTATTAAGCTGAACTCCTCAACTGATAAAAAGCATGACATCT TAAACATAAGCAAAGCATATNNT-AGGTTAATTTTCACATAGAAAACAGTTTATTTTATG T Slight modifications by S. Smith on Mon Feb 17 10:18:34 EST 1992. These changes allow for command line arguments for several of the hard coded parameters, as well as a slight modification to the output routine to support GDE format. Changes are commented as: Mod by S.S. ./arbsrc_9167/GDEHELP/HELP_PLAIN/DNAml_rates.help0000644012664100000130000000671711213220015020663 0ustar arb_buildcoders DNAml_rates_1_0 Gary J. Olsen August 14, 1992 The DNAml_rates program takes a set of sequences and corresponding phylogenetic tree and produces and maximum likelihood estimate of the rate of nucleotides substitution at each sequence position. Input is read from standard input. The format is very much like that of the fastDNAml program. The first line of the input file gives the number of sequences and the number of bases per sequence. Also on this line are the requested program option letters. Any auxiliary data required by the options follow on subsequent lines. Either the user must specify the empirical base frequencies (F) option, or immediately preceding the data matrix there must be a line of data with the frequencies of A, C, G and T. Next, the program expects a data matrix. The first 10 characters of the first line of data for a given sequence in interpreted as the name (blanks are counted). Elsewhere in the data matrix, blanks and numbers are ignored. The default data matrix format is interleaved. If all the data for a sequence are on one input line, then interleaved and noninterleaved are equivalent. Following the data matrix there must be a line with the number of user-specified trees for which rates are to be estimated (as with the U option is fastDNAml). The rest of the input file is one or more user-specified trees with branch lengths (as with the U and L options in fastDNAml). The program writes to standard output. The output lists the estimated rate of change at every site in the sequence, or "Undefined" if there are not sufficient unambiguous data at the site. If the C option is specified, the program also categorizes the rates into the requested number of categories. The current categorization algorithm is rather crude, but is probably adequate if the number of categories is large enough. A weighting mask is also created in which sites with Undefined rates are assigned a weight of zero. If the Y option is specified, the program writes the weights and categories data to a file in a format appropriate for use by fastDNAml. Options summary: 1 - print data. Toggles print data option (default = noprint). C - write categories. Requires auxiliary line with a C and the desired number of categories. F - empirical base frequencies. Calculates base frequencies from data matrix, rather than expecting a base frequency input line. I - interleave. Toggles the data interleave option (default = interleave). L - userlengths. This is implicit in the program, so the option is ignored. M - minimum informative sequences. Requires an auxiliary data line with an M and the minimum number of sequences in which a sequence position (alignment column) must have unambiguous information in order for the rate at the site to be defined (default = 4). T - transitions/transversion ratio. Requires auxiliary line with a T and the ration of observed transitions to transversions (default = 2.0). U - user trees. This is implicit in the program, so the option is ignored. W - user weights. Requires weights auxiliary data. Y - categories file. Writes the weights and categories to a file. The option scripts usertree, weights, n_categories and categories_file are useful for adding the appropriate options to the input data matrix. The option script weights_categories is useful for adding the resulting outfile to a fastDNAml input file. ./arbsrc_9167/GDEHELP/HELP_PLAIN/lsadt.help0000644012664100000130000000352211440743001017637 0ustar arb_buildcodersDeSoete Tree fit This program uses a least squares fitting method to determine additive trees from a given distance matrix. The tree generated is passed back in Newick format. The prefered method of displaying the phylogenetic results is in TreeTool. LEAST SQUARES ALGORITHM FOR FITTING ADDITIVE TREES TO PROXIMITY DATA GEERT DE SOETE -- VERSION 1.01 - FEB. 1983 VERSION 1.02 - JUNE 1983 VERSION 1.03 - JULY 1983 'C' version by Michael Macuikenas, University of Illinois REFERENCE: DE SOETE, G. A LEAST SQUARES ALGORITHM FOR FITTING ADDITIVE TREES TO PROXIMITY DATA. PSYCHOMETRIKA, 1983, 48, 621-626. DE SOETE, G. ADDITIVE TREE REPRESENTATIONS OF INCOMPLETE DISSIMILARITY DATA. QUALITY AND QUANTITY, 1984, 18, 387-393. REMARKS ------- 1) THE PROGRAM USES SUBROUTINES FROM THE PORT LIBRARY FOR ERROR HANDLING, DYNAMIC STORAGE ALLOCATION AND SPECIFICA- TION OF MACHINE-DEPENDENT CONSTANTS. CF. FOX, P.A., HALL, A.D., & SCHRYER, N.L. - THE PORT MATHEMATICAL SUBROUTINE LIBRAY. ACM TRANS. ON MATH. SOFTW., 1978, 4, 104-126. - ALGORITHM 528. FRAMEWORK FOR A PORTABLE LIBRARY. ACM TRANS. ON MATH. SOFTW., 1978, 4, 177-188. 2) UNIFORMLY DISTRIBUTED RANDOM NUMBERS ARE GENERATED BY A PROCEDURE DUE TO SCHRAGE. CF. SCHRAGE, L. A MORE PORTABLE FORTRAN RANDOM NUMBER GENERATOR. ACM TRANS. ON MATH. SOFTW., 1979, 5, 132-138. 3) SUBROUTINES VA14AD AND VA14AC ARE ADAPTED FROM THE HARWELL SUBROUTINE LIBRARY (1979 EDITION). 4) ALTHOUGH THIS PROGRAM HAS BEEN CAREFULLY TESTED, THE AUTHOR DISCLAIMS ANY RESPONSABILITY FOR POSSIBLE ERRORS. ./arbsrc_9167/GDEHELP/HELP_PLAIN/Readme0000644012664100000130000000022111213220015016760 0ustar arb_buildcoders .help files in this directory are automatically linked into GDE menus if mentioned there They get a disclaimer-header! (see ../HELP_WRITTEN) ./arbsrc_9167/GDEHELP/HELP_WRITTEN/raxml.help0000644012664100000130000001602111215726616020157 0ustar arb_buildcodersRAxML DESCRIPTION RAxML (Randomized Axelerated Maximum Likelihood) is a program for sequential and parallel Maximum Likelihood-based inference of large phylogenetic trees. It has originally been derived from fastDNAml which in turn was derived from Joe Felsenteins dnaml which is part of the PHYLIP package. Author: Alexandros Stamatakis Ecole Polytechnique Federale de Lausanne School of Computer & Communication Sciences Laboratory for Computational Biology and Bioinformatics (LCBB) Alexandros.Stamatakis@epfl.ch Original documentation can be found at http://icwww.epfl.ch/~stamatak/index-Dateien/countManual7.0.0.php Several parts of this documentation have been used here. PARAMETERS Here we only describe the parameters adjustable via the ARB interface. Weighting mask Specify a weighting mask for the alignment. This increases penalty for mismatches in conservative regions and decreases it in variable regions of the alignment. Since RAxML only accepts natural numbers as weights, ARB has to multiply the weights of e.g. POS_VAR_BY_PARSIMONY, such that the smallest weight equals 1. As a consequence the likelyhood of the calculated tree is ~ 100000 times higher than w/o weighting mask. Base tree / Use as constraint tree / Generate random starting tree Specifying a base tree works different depending on several other parameters. Generally there are four different possibilities: - If you don't select a base tree (i.e. select '????') RAxML generates a starting tree using a Maximum Parsimony algorithm - If you additionally set 'Generate random starting tree' to 'Yes' RAxML generates a completely random starting tree. On smaller datasets (around 100-200 taxa) it has been observed that this might sometimes yield topologies of distinct local likelihood maxima which better correspond to empirical expectations. - If you select a base tree, RAxML adds all species which are marked but are not in tree to this base tree using Maximum Parsimony. The resulting tree is then optimized using the selected RAxML algorithm. - If you set 'Use as constraint tree' to 'Yes' the topology of the given base tree will not be changed, only the position of the added species will be rearranged. Notes: - All species contained in the 'Base tree' have to marked - otherwise RAxML will stop with an error. Nucleotide Substitution Model / Rate Distribution Model / AA Substitution Model Please refer to the original documentation for details on Substitution Models Number of rate categories (DNA GTRCAT only) This option allows you to specify the number of distinct rate categories, into which the individually optimized rates for each individual site are ?thrown? (Default = 25) Optimize branches/parameters Specifies that RAxML shall optimize branches and model parameters on bootstrapped trees as well as print out the optimized likelihood. Note, that this option only makes sense when used with the GTRMIX or GTRGAMMA models (or the respective AA models)! RAxML algorithm new rapid hill climbing RAxML will execute the new (as of version 2.2.1) and significantly faster rapid hill-climbing algorithm old hill climbing RAxML will execute the slower old search algorithm of version 2.1.3, this is essentially just for backward compatibility. optimize input tree RAxML will optimize the model parameters and branch lengths of the selected 'Base tree' under GTRGAMMA rapid bootstrap analysis tell RAxML to conduct a rapid Bootstrap analysis and search for the best-scoring ML tree in one single program run. Uses the seed specified at 'Random seed' advanced bootstrap + refinement of BS tree performs a really thorough standard bootstrap. RAxML will refine the final BS tree under GAMMA and a more exhaustive algorithm. add new sequences to input tree (MP) performs just pure stepwise MP addition of new sequences to an incomplete starting tree. You have to mark all species in tree AND all species which should be added to the tree. Note: RAxML has a bug in the tree-reader and rejects many trees as unrooted/multifurcated. You can to use 'Tree/Beautify Tree' and select the lowest mode (short branches first) as a workaround. randomized tree searches (fixed start tree) will perform several randomized tree searches (as specified at 'Number of runs'), that always start from one fixed starting tree. Random seed Used as random seed for 'rapid bootstrap analysis' Initial rearrangement setting This allows you to specify an initial rearrangement setting for the initial phase of the search algorithm. If you specify e.g. 10 the pruned subtrees will be inserted up to a distance of 10 nodes away from their original pruning point. If you don’t specify anything here, a "good" initial rearrangement setting will automatically be determined by RAxML. Number of runs Enter a number > 1 to run the selected algorithm multiple times. Specifying e.g. '10' will result in 10 generated trees. Select ## best trees If 'Number of runs' is > 1, this specifies how many of the generated tree shall be imported or merge using consense. The trees with the best likelyhood will be selected. What to do with selected trees? Import into ARB All selected trees will be imported into ARB Create consense tree Calls consense on all selected trees and imports the resulting consense tree into ARB. ./arbsrc_9167/GDEHELP/HELP_WRITTEN/Readme0000644012664100000130000000022411213220015017254 0ustar arb_buildcoders .help files in this directory are automatically linked into GDE menus if mentioned there They don't get a disclaimer-header! (see ../HELP_PLAIN) ./arbsrc_9167/GDEHELP/Makefile0000644012664100000130000000262412051173043015647 0ustar arb_buildcoders MENUS = ARB_GDEmenus MENUS_SRC = ARB_GDEmenus.source HELPFILELIST=helpfiles.lst GENHELPDEST=./HELP_GEN GENDOCDEST=./HELP_DOC_GEN SUBMENUS=$(wildcard MENUS/*.menu) GENMENUS=$(SUBMENUS:.menu=.genmenu) PPP:=./pp.pl CLEAN:=./cleanmenu.pl all: $(MENUS) help MENUS/%.genmenu : genmenu.header MENUS/%.genmenu : MENUS/%.menu ( cat genmenu.header; sed -e "s/^[ ]*//" ) < $< > $@ MENUS_DIRTY=$(MENUS).dirty $(MENUS_DIRTY) : $(MENUS_SRC) $(GENMENUS) Makefile $(PPP) $(PPP) -IMENUS $(MENUS_SRC) >$@ $(MENUS) : $(MENUS_DIRTY) $(CLEAN) -chmod a+w $@ $(CLEAN) <$(MENUS_DIRTY) >$@ rm $(MENUS_DIRTY) chmod a-w $@ # ------------------------------------------------------------ help: $(HELPFILELIST) @test -d $(GENHELPDEST) || mkdir $(GENHELPDEST) @test -d $(GENDOCDEST) || mkdir $(GENDOCDEST) @$(MAKE) -f Makefile.helpfiles "GENHELPDEST=$(GENHELPDEST)" "GENDOCDEST=$(GENDOCDEST)" "HELPFILELIST=$(HELPFILELIST)" $(HELPFILELIST): $(SUBMENUS) grep -i '^itemhelp:' < $< | sed -e 's/^itemhelp://' | sort | uniq > $@ # ------------------------------------------------------------ save: rm -f arbgdemenus*.tar.gz tar cvf - MENUS ARB_GDEmenus* |gzip >`date '+arbgdemnus_%d_%m_%y.tar.gz'` clean: rm -f $(GENMENUS) $(MENUS) $(HELPFILELIST) @$(MAKE) -f Makefile.helpfiles \ "GENHELPDEST=$(GENHELPDEST)" \ "GENDOCDEST=$(GENDOCDEST)" \ "HELPFILELIST=$(HELPFILELIST)" \ clean rm -f $(GENMENUS) $(MENUS) $(HELPFILELIST) ./arbsrc_9167/GDEHELP/Makefile.helpfiles0000644012664100000130000000705411656765615017651 0ustar arb_buildcoders# -*-Mode: Makefile;-*- (emacs! this is a makefile!) .SUFFIXES: .doc .help .html # GENHELPDEST, GENDOCDEST and HELPFILELIST are passed from 'Makefile' HELP_NAMES=$(shell cat $(HELPFILELIST)) HELP_TARGETS=$(addprefix $(GENHELPDEST)/,$(HELP_NAMES)) HELP_PLAIN=./HELP_PLAIN HELP_WRITTEN=./HELP_WRITTEN HEADER=arb_help.head all: info forcedoc $(HELP_TARGETS) info: @echo "----------------------------------------------------------------" @echo "Collecting documentation for external programs used in GDE menus" # @echo "HELP_TARGETS=$(HELP_TARGETS)" # ------------------------------------------------------------ # rules to generate helpfiles # we need rules here for each helpfile specified on an 'itemhelp' line in GDE menus. ARBHOME=.. GDE=$(ARBHOME)/GDE CLUSTALW=$(GDE)/CLUSTALW CLUSTALW_HELP=$(CLUSTALW)/clustalw_help CLUSTALW_DOC=$(CLUSTALW)/clustalw.doc $(GENHELPDEST)/clustalw.help: $(CLUSTALW_HELP) $(CLUSTALW_DOC) ./genhelptree.sh $@ "$(subst .help,,$(notdir $@))" $(HEADER) $^ AXML_HELP=$(GDE)/AxML/AxML.doc FASTDNAML_DOC=$(GDE)/FASTDNAML/fastDNAml.doc $(GENHELPDEST)/dnaml.help: $(AXML_HELP) $(FASTDNAML_DOC) ./genhelptree.sh $@ "$(subst .help,,$(notdir $@))" $(HEADER) $^ READSEQ=$(ARBHOME)/READSEQ READSEQ_DOC_NAMES=Readme Formats Readseq.help READSEQ_DOCS=$(addprefix $(READSEQ)/,$(READSEQ_DOC_NAMES)) $(GENHELPDEST)/readseq.help: $(READSEQ_DOCS) ./genhelptree.sh $@ "$(subst .help,,$(notdir $@))" $(HEADER) $^ PHYLIP_DISTANCE_HELP_NAMES=fitch kitsch neighbor dnadist protdist PHYLIP_DISTANCE_HELPS=$(addsuffix .doc,$(addprefix $(GENDOCDEST)/,$(PHYLIP_DISTANCE_HELP_NAMES))) $(GENHELPDEST)/phylip_distance.help: $(PHYLIP_DISTANCE_HELPS) ./genhelptree.sh $@ "$(subst .help,,$(notdir $@))" $(HEADER) $^ # all help files in ./HELP_PLAIN are automatically found $(GENHELPDEST)/%.help: $(HELP_PLAIN)/%.help $(HEADER) ./genhelp.sh $@ "$(subst .help,,$(notdir $@))" $(HEADER) $< # all help files in ./HELP_DOC_GEN are automatically found $(GENHELPDEST)/%.help: $(GENDOCDEST)/%.doc $(HEADER) ./genhelp.sh $@ "$(subst .help,,$(notdir $@))" $(HEADER) $< # ------------------------------------------------------------ # rules to generate plain doc from provided html files HELP_TREEPUZZLE=../GDE/TREEPUZZLE/doc HELP_PHYLIP=../GDE/PHYLIP/doc HELP_PHYML=../GDE/PHYML FORCED_DOC_NAMES=proml dnapars protpars phyml LYNX_PARA=-dump -nolist -display_charset=iso-8859-1 $(GENDOCDEST)/%.doc: $(HELP_PHYLIP)/%.html Makefile.helpfiles lynx $(LYNX_PARA) $< | sed -e 's/©/(C)/' > $@ test -s $@ || (echo $@ not generated or empty && rm $@ && false) $(GENDOCDEST)/treepuzzle.doc: $(HELP_TREEPUZZLE)/manual.html Makefile.helpfiles lynx $(LYNX_PARA) $< | sed -e 's/©/(C)/' > $@ test -s $@ || (echo $@ not generated or empty && rm $@ && false) $(GENDOCDEST)/phyml.doc: $(HELP_PHYML)/usersguide_phyliplike.html Makefile.helpfiles lynx $(LYNX_PARA) $< | sed -e 's/©/(C)/' > $@ test -s $@ || (echo $@ not generated or empty && rm $@ && false) FORCED_DOCS=$(addsuffix .doc,$(addprefix $(GENDOCDEST)/,$(FORCED_DOC_NAMES))) forcedoc: $(FORCED_DOCS) # ------------------------------------------------------------ # default rule to raise error if no rule is given to generate a helpfile. # dont warn if there's a help file in HELP_WRITTEN # (files there are processed by ../HELP_SOURCE/genhelp/Makefile ) $(GENHELPDEST)/%.help: @( test -f $(HELP_WRITTEN)/$(notdir $@) ) \ || \ ( \ echo "Makefile.helpfiles:18: Error: No rule to make $(notdir $@) (to which is referred to in a GDE menu)" ; \ grep -n $(notdir $@) MENUS/*.menu ; \ false ) clean: rm -f $(GENHELPDEST)/*.help rm -f $(GENDOCDEST)/*.doc ./arbsrc_9167/GDEHELP/MENUS/align.menu0000644012664100000130000002334111213220015017044 0ustar arb_buildcoders item:ClustalW automatic itemmeta: W itemmethod:(GOTO_LOCAL_DIR; \ tr '"%//' '>' clus_in; \ RUN_IN_WINDOW((clustalw -output=PIR -infile=clus_in -align ; \ cat clus_in.pir | sed "s/^>DL;/#/g" | sed "s/^>P1;/%/g" | sed "s/^\*$//g" >out1; )); \ RM_LOCAL_FILES(clus_in* in1)) itemhelp:clustalw.help in:in1 informat:flat insave: out:out1 outformat:flat // -------------------------------------------------------------------------------- item:Create ClustalW Profile 2 itemmeta: C itemmethod:(GOTO_LOCAL_DIR ; tr '"%//' '>' ../clus_prf ; RM_LOCAL_FILES(in1)) itemhelp:clustalw.help in:in1 informat:flat insave: // -------------------------------------------------------------------------------- item:ClustalW Profile Alignment itemmeta: P itemmethod:(GOTO_LOCAL_DIR; \ tr '"%//' '>' clus_in; \ RUN_IN_WINDOW((clustalw -output=PIR -profile1=clus_in -profile2=../clus_prf -align ; \ cat clus_in.pir | sed "s/^>DL;/#/g" | sed "s/^>P1;/%/g" | sed "s/^\*$//g" >out1; )); \ RM_LOCAL_FILES(clus_in* in1)) itemhelp:clustalw.help in:in1 informat:flat insave: out:out1 outformat:flat // -------------------------------------------------------------------------------- item:ClustalW DNA Alignment (fast) seqtype: N itemmeta: N itemmethod:(GOTO_LOCAL_DIR; \ tr '"%//' '>' clus_in ; \ RUN_IN_WINDOW((clustalw -output=PIR -infile=clus_in -align \ -quicktree $INTERACTIVE \ -ktuple=$KTUPLE -topdiags=$TOPDIAGS \ -window=$WINDOW -pairgap=$PAIRGAP \ -score=$SCORE \ -type=DNA -transweight=$TRANSWEIGHT \ -gapopen=$GOP -gapext=$GEP -maxdiv=$MAXDIV \ -dnamatrix=$DNAMATRIX; \ cat clus_in.pir | sed "s/^>DL;/#/g" | sed "s/^>P1;/%/g" | sed "s/^\*$//g" >out1; )) ; \ RM_LOCAL_FILES(clus_in* in1)) itemhelp:clustalw.help // parameters for fast pairwise alignment: arg:PAIRGAP arglabel:Gap penalty (pairwise ali) argtype:slider argmin:1 argmax:500 argvalue:5 arg:KTUPLE arglabel:K-tuple size argtype:slider argmin:1 argmax:4 argvalue:2 arg:TOPDIAGS arglabel:No. of top diagonals argtype:slider argmin:1 argmax:50 argvalue:4 arg:WINDOW arglabel:Window size argtype:slider argmin:1 argmax:50 argvalue:4 // parameters for multiple alignment: arg:DNAMATRIX argtype:choice_menu arglabel:Weighting matrix (multiple ali) argchoice:IUB:IUB argchoice:CLUSTALW:CLUSTALW arg:GOP argtype:slider arglabel:Gap Open Penalty argmin:0 argmax:100 argvalue:15 arg:GEP arglabel:Gap Extend Penalty argtype:slider argmin:0 argmax:10 argvalue:6.66 arg:MAXDIV arglabel:% identity for delay argtype:slider argmin:0 argmax:100 argvalue:30 arg:TRANSWEIGHT arglabel:Transition weight argtype:slider argmin:0.0 argmax:1.0 argvalue:0.5 arg:INTERACTIVE arglabel:Interactive argtype:choice_menu argchoice:No: argchoice:Yes:-interactive in:in1 informat:flat insave: out:out1 outformat:flat // -------------------------------------------------------------------------------- item:ClustalW DNA Alignment (slow & accurate) seqtype: N itemmeta: s itemmethod:(GOTO_LOCAL_DIR; \ tr '"%//' '>' clus_in ; \ RUN_IN_WINDOW((clustalw -output=PIR -infile=clus_in -align \ $INTERACTIVE \ -pwdnamatrix=$PWDNAMATRIX \ -pwgapopen=$PWGOP -pwgapext=$PWGEP \ -type=DNA -transweight=$TRANSWEIGHT \ -gapopen=$GOP -gapext=$GEP -maxdiv=$MAXDIV \ -dnamatrix=$DNAMATRIX; \ cat clus_in.pir | sed "s/^>DL;/#/g" | sed "s/^>P1;/%/g" | sed "s/^\*$//g" >out1; )) ; \ RM_LOCAL_FILES(clus_in* in1)) itemhelp:clustalw.help // parameters for pairwise alignment: arg:PWDNAMATRIX argtype:choice_menu arglabel:Weighting matrix (pairwise ali) argchoice:IUB:IUB argchoice:CLUSTALW:CLUSTALW arg:PWGOP argtype:slider arglabel:Gap Open Penalty argmin:0 argmax:100 argvalue:15 arg:PWGEP arglabel:Gap Extend Penalty argtype:slider argmin:0 argmax:10 argvalue:6.66 // parameters for multiple alignment: arg:DNAMATRIX argtype:choice_menu arglabel:Weighting matrix (multiple ali) argchoice:IUB:IUB argchoice:CLUSTALW:CLUSTALW arg:GOP argtype:slider arglabel:Gap Open Penalty argmin:0 argmax:100 argvalue:15 arg:GEP arglabel:Gap Extend Penalty argtype:slider argmin:0 argmax:10 argvalue:6.66 arg:MAXDIV arglabel:% identity for delay argtype:slider argmin:0 argmax:100 argvalue:30 arg:TRANSWEIGHT arglabel:Transition weight argtype:slider argmin:0.0 argmax:1.0 argvalue:0.5 arg:INTERACTIVE arglabel:Interactive argtype:choice_menu argchoice:No: argchoice:Yes:-interactive in:in1 informat:flat insave: out:out1 outformat:flat // -------------------------------------------------------------------------------- item:ClustalW Protein Alignment (fast) seqtype: A itemmeta: o itemmethod:(GOTO_LOCAL_DIR; \ tr '"%//' '>' clus_in ; \ RUN_IN_WINDOW((clustalw -output=PIR -infile=clus_in -align \ -quicktree $INTERACTIVE \ -ktuple=$KTUPLE -topdiags=$TOPDIAGS \ -window=$WINDOW -pairgap=$PAIRGAP \ -score=$SCORE \ -type=PROTEIN -transweight=$TRANSWEIGHT \ -gapopen=$GOP -gapext=$GEP -maxdiv=$MAXDIV \ -matrix=$MATRIX $NEGMATRIX; \ cat clus_in.pir | sed "s/^>DL;/#/g" | sed "s/^>P1;/%/g" | sed "s/^\*$//g" >out1; )) ; \ RM_LOCAL_FILES(clus_in* in1)) itemhelp:clustalw.help // parameters for fast pairwise alignment: arg:PAIRGAP arglabel:Gap penalty (pairwise ali) argtype:slider argmin:1 argmax:500 argvalue:3 arg:KTUPLE arglabel:K-tuple size argtype:slider argmin:1 argmax:2 argvalue:1 arg:TOPDIAGS arglabel:No. of top diagonals argtype:slider argmin:1 argmax:50 argvalue:5 arg:WINDOW arglabel:Window size argtype:slider argmin:1 argmax:50 argvalue:5 // parameters for multiple alignment: arg:MATRIX argtype:choice_menu arglabel:Weighting matrix (multiple ali) argchoice:Gonnet series:GONNET argchoice:Blosum series:BLOSUM argchoice:PAM series:PAM argchoice:ID matrix:ID arg:GOP argtype:slider arglabel:Gap Open Penalty argmin:0 argmax:100 argvalue:10 arg:GEP arglabel:Gap Extend Penalty argtype:slider argmin:0 argmax:10 argvalue:0.2 arg:MAXDIV arglabel:% identity for delay argtype:slider argmin:0 argmax:100 argvalue:30 arg:TRANSWEIGHT arglabel:Transition weight argtype:slider argmin:0.0 argmax:1.0 argvalue:0.5 arg:NEGMATRIX arglabel:Use negative matrix argtype:choice_menu argchoice:No: argchoice:Yes:-negative arg:INTERACTIVE arglabel:Interactive argtype:choice_menu argchoice:No: argchoice:Yes:-interactive in:in1 informat:flat insave: out:out1 outformat:flat // -------------------------------------------------------------------------------- item:ClustalW Protein Alignment (slow & accurate) seqtype: A itemmeta: l itemmethod:(GOTO_LOCAL_DIR; \ tr '"%//' '>' clus_in ; \ RUN_IN_WINDOW((clustalw -output=PIR -infile=clus_in -align \ $INTERACTIVE \ -pwmatrix=$PWMATRIX \ -pwgapopen=$PWGOP -pwgapext=$PWGEP \ -type=PROTEIN -transweight=$TRANSWEIGHT \ -gapopen=$GOP -gapext=$GEP -maxdiv=$MAXDIV \ -matrix=$MATRIX $NEGMATRIX; \ cat clus_in.pir | sed "s/^>DL;/#/g" | sed "s/^>P1;/%/g" | sed "s/^\*$//g" >out1; )) ; \ RM_LOCAL_FILES(clus_in* in1)) itemhelp:clustalw.help // parameters for pairwise alignment: arg:PWMATRIX argtype:choice_menu arglabel:Weighting matrix (pairwise ali) argchoice:Gonnet series:GONNET argchoice:Blosum series:BLOSUM argchoice:PAM series:PAM argchoice:ID matrix:ID arg:PWGOP argtype:slider arglabel:Gap Open Penalty argmin:0 argmax:100 argvalue:10 arg:PWGEP arglabel:Gap Extend Penalty argtype:slider argmin:0 argmax:10 argvalue:0.1 // parameters for multiple alignment: arg:MATRIX argtype:choice_menu arglabel:Weighting matrix (multiple ali) argchoice:Gonnet series:GONNET argchoice:Blosum series:BLOSUM argchoice:PAM series:PAM argchoice:ID matrix:ID arg:GOP argtype:slider arglabel:Gap Open Penalty argmin:0 argmax:100 argvalue:10 arg:GEP arglabel:Gap Extend Penalty argtype:slider argmin:0 argmax:10 argvalue:0.2 arg:MAXDIV arglabel:% identity for delay argtype:slider argmin:0 argmax:100 argvalue:30 arg:TRANSWEIGHT arglabel:Transition weight argtype:slider argmin:0.0 argmax:1.0 argvalue:0.5 arg:NEGMATRIX arglabel:Use negative matrix argtype:choice_menu argchoice:No: argchoice:Yes:-negative arg:INTERACTIVE arglabel:Interactive argtype:choice_menu argchoice:No: argchoice:Yes:-interactive in:in1 informat:flat insave: out:out1 outformat:flat // -------------------------------------------------------------------------------- item:Assemble Contigs itemmeta: g itemmethod: ( GOTO_LOCAL_DIR; \ tr '"%//' '>' in1.tmp; \ CAP2 in1.tmp $OVERLAP $PMATCH > out1; \ RM_LOCAL_FILES(in1 in1.tmp) ) itemhelp:CAP2.help arg:OVERLAP argtype:slider arglabel:Minimum overlap? argmin:5 argmax:100 argvalue:20 arg:PMATCH argtype:slider arglabel:Percent match required within overlap argmin:25 argmax:100 argvalue:90 in:in1 informat:flat out:out1 outformat:gde ./arbsrc_9167/GDEHELP/MENUS/desoete.menu0000644012664100000130000000203711213220015017401 0ustar arb_buildcodersitem:DeSoete Tree fit itemmeta: S itemmethod: (RUN_IN_WINDOW((arb_readseq -a -f8 in1>in1.flat;\ count -t $CORR in1.flat> in1.tmp;\ lsadt in1.out;\ $DISPLAY_FUNC));\ /bin/rm -f in1* )& itemhelp:lsadt.help in:in1 informat:genbank insave: inmask: arg:CORR arglabel:Dist. correction? argtype:choice_menu argchoice:Olsen:-c=olsen argchoice:Jukes/Cantor:-c=jukes argchoice:None:-c=none arg:INIT arglabel:Parameter estimate argtype:choice_menu argchoice:uniformly distributed random numbers:1 argchoice:error-perturbed data:2 argchoice:original distance data from input matrix:3 arg:SEED argtype:slider arglabel:Random nr. seed argmin:0 argmax:65535 argvalue:12345 arg:DISPLAY_FUNC argtype:choice_menu arglabel:View tree using argchoice:ARB ('tree_desoete'):arb_read_tree tree_desoete_$$ in1.out "PRG=DeSoete CORR=$CORR FILTER=$FILTER" argchoice:TextEdit:arb_textedit in1.out & argchoice:Treetool:treetool in1.out ./arbsrc_9167/GDEHELP/MENUS/dnamlrates.menu0000644012664100000130000000210012051173043020103 0ustar arb_buildcodersitem:Positional Variability by Olsons dnamlrates (max 5000 Species, 8000 seqlength) seqtype: N itemmeta: O itemmethod:(GOTO_LOCAL_DIR ; \ arb_export_rates "" "M $RESIDUES" "T $TTRATIO" "U" $LENGTHS "F" | \ arb_convert_aln -GenBank in1 -phylip2 in1.ph; \ echo 1 >>in1.ph; \ arb_export_tree $TREE >>in1.ph; \ RUN_IN_WINDOW((cat in1.ph |arb_dnarates)); \ RM_LOCAL_FILES(in1) )& itemhelp:DNAml_rates.help arg:TREE argtype:tree arglabel:Base Tree argchoice:tree_main arg:RESIDUES argtype:text arglabel:Number of informative residues argtext:10 arg:TTRATIO argtype:text arglabel:Transition/transversion ratio argtext:2.0 arg:LENGTHS argtype:choice_menu arglabel:Use branchlengths? argchoice:Yes:"L" argchoice:No: // arg:USERRATES // argtype:text(20) // arglabel:User frequency rates // argtext:F // arg:USERRATES // argtype:choice_menu // arglabel:Choose frequency rates // argchoice:Calculate frequencies:F // argchoice:Estimate equal frequencies:F 0.25 0.25 0.25 0.25 in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/export.menu0000644012664100000130000000127411213220015017274 0ustar arb_buildcodersitem:Export sequences to foreign format (Readseq) ... itemmeta: R itemmethod:arb_readseq in1 -pipe -all -form=$FORMAT > $OUTPUTFILE itemhelp:readseq.help arg:FORMAT argtype:choice_menu argchoice:GenBank:genbank argchoice:IG/Stanford:ig argchoice:NBRF:nbrf argchoice:EMBL:embl argchoice:GCG:gcg argchoice:DNA Strider:strider argchoice:Fitch:fitch argchoice:Pearson/Fasta:pearson argchoice:Zuker:zuker argchoice:Olsen:olsen argchoice:Phylip:phylip argchoice:Plain text:raw argchoice:ASN.1:asn argchoice:PIR:pir argchoice:MSF:msf argchoice:PAUP/NEXUS:paup argchoice:Pretty:pretty -nametop -nameleft=3 -numright -nameright -numtop arg:OUTPUTFILE argtype:text arglabel:Save as? in:in1 informat:genbank ./arbsrc_9167/GDEHELP/MENUS/fastdnaml.menu0000644012664100000130000000166311213220015017726 0ustar arb_buildcodersitem:AxML + FastdnaML seqtype: N itemmeta: A itemmethod:(GOTO_LOCAL_DIR ; \ arb_export_rates "$RATES" "T 2.0" "Y 1" "$QUICKADD" | \ arb_convert_aln -GenBank in1 -phylip2 infile; \ RUN_IN_WINDOW((cp infile last.infile; \ time arb_fastdnaml $PROGRAM;$DISPLAY_FUNC)); \ RM_LOCAL_FILES(in1 last.infile) )& itemhelp:dnaml.help arg:RATES argtype:weights arglabel:Select a Weighting Mask argchoice:POS_VAR_BY_PAR arg:PROGRAM argtype:choice_menu arglabel:Select program to use argchoice:AxML:axml argchoice:FastdnaML:fastdnaml arg:QUICKADD argtype:choice_menu arglabel:Use Quickadd argchoice:Yes: argchoice:No:Q arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_fml_//'):arb_read_tree tree_fml_$$ treefile "PRG=$PROGRAM FILTER=$FILTER RATE=$RATES"3 argchoice:Treetool:treetool treefile in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/import.menu0000644012664100000130000000035711213220015017266 0ustar arb_buildcodersitem:Import sequences using Readseq (slow) ... seqtype:- itemmeta: R itemmethod:arb_readseq $INPUTFILE -a -f2 > OUTPUTFILE itemhelp:readseq.help arg:INPUTFILE argtype:text arglabel:Name of foreign file? out:OUTPUTFILE outformat:genbank ./arbsrc_9167/GDEHELP/MENUS/inc_fastdnaml.menu0000644012664100000130000000173611213220015020560 0ustar arb_buildcodersitem:AxML + FastdnaML (max 500 Species) ... seqtype: N itemmeta: M itemmethod:(/bin/rm -f outfile infile treefile ;\ arb_export_rates "$RATES" "Y 1" "Q" "R" "G 0 0" "T 2.0" | \ arb_convert_aln -GenBank in1 -phylip2 infile;\ arb_export_tree $TREE >>infile;\ RUN_IN_WINDOW((time arb_fastdnaml $PROGRAM;\ $DISPLAY_FUNC));\ rm in1 )& itemhelp:dnaml.help arg:RATES argtype:weights arglabel:Select a Weighting Mask argchoice:POS_VAR_BY_PARS arg:TREE argtype:tree arglabel:Base Tree argchoice: arg:PROGRAM argtype:choice_menu arglabel:Select program to use argchoice:AxML:axml argchoice:FastdnaML:fastdnaml arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_fml_//'):arb_read_tree tree_fml_$$ treefile "PRG=$PROGRAM BASETREE=$TREE FILTER=$FILTER PKG=olsen/felsenstein RATE=$RATES" argchoice:Treetool:treetool treefile in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/phylip_dist.menu0000644012664100000130000000542011213220015020300 0ustar arb_buildcodersitem:Phylip Distance Methods (Simple GUI Based Interface) itemmeta: G itemmethod:(GEN_INFILE(in1);\ RUN_IN_WINDOW(($CORRECTION_PROT;$CORRECTION_DNA;$PROGRAM_SEL;\ $DPGM;\ mv infile infile.1; \ mv -f outfile infile;\ arb_echo $PROGRAM_FLAGS |$PROGRAM;\ $DISPLAY_FUNC));\ RM_LOCAL_FILES(in1 infile.1))& itemhelp:phylip_distance.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_ph_'):($CORRECTION_PROT;$CORRECTION_DNA;$PROGRAM_SEL;echo||$DPGM;arb_read_tree tree_ph_$$ outtree "PRG=$PROGRAM_NAME CORR=$TEXT FILTER=$FILTER PKG=phylip") argchoice:TextEdit:arb_textedit outfile & argchoice:Treetool:treetool outtree arg:PROGRAM_SEL arglabel:Which method? argtype:choice_menu argchoice:Neighbor: PROGRAM=neighbor; PROGRAM_FLAGS="y"; PROGRAM_NAME=neighbor argchoice:UPGMA: PROGRAM=neighbor; PROGRAM_FLAGS="n y"; PROGRAM_NAME=UPGMA argchoice:Fitch: PROGRAM=fitch; PROGRAM_FLAGS="y"; PROGRAM_NAME=fitch argchoice:Kitsch: PROGRAM=kitsch; PROGRAM_FLAGS="y"; PROGRAM_NAME=kitsch arg:DPGM arglabel:Treat data as.. argtype:choice_menu argchoice:DNA/RNA:(arb_echo $DNAFLAGS |dnadist);TEXT=$DNATEXT argchoice:AA:(arb_echo $PROFLAGS |protdist);TEXT=$PROTEXT arg:CORRECTION_DNA arglabel:Correction (DNA) argtype:choice_menu argchoice:F84: DNATEXT=F84; DNAFLAGS="y" argchoice:Kimura 2-parameter: DNATEXT=Kimura; DNAFLAGS="d y" argchoice:Jukes-Cantor: DNATEXT=Jukes-Cantor; DNAFLAGS="d d y" // the following options cause crash with all distance programs: // argchoice:LogDet: DNATEXT=LogDet; DNAFLAGS="d d d y" // argchoice:Manual: DNATEXT=User; DNAFLAGS="" arg:CORRECTION_PROT arglabel:Correction (PROT) argtype:choice_menu argchoice:Jones-Taylor-Thornton: PROTEXT=JTT; PROFLAGS="y" argchoice:Dayhoff PAM matrix: PROTEXT=Dayhoff; PROFLAGS="p y" argchoice:Kimura formula: PROTEXT=Kimura; PROFLAGS="p p y" argchoice:Manual: PROTEXT=User; PROFLAGS="" in:in1 informat:genbank inmask: insave: // -------------------------------------------------------------------------------- item:Phylip Distance Matrix itemmeta: M itemmethod: GEN_INFILE(in1) ; \ RUN_IN_WINDOW(( $PREEDIT \ $DPGM ; \ arb_textedit outfile & )) ; \ RM_LOCAL_FILES(in1) itemhelp:phylip_distance.help arg:DPGM arglabel:Treat data as.. argtype:choice_menu argchoice:DNA/RNA:dnadist argchoice:AA:protdist arg:PREEDIT argtype:choice_menu arglabel:Edit input before running? argchoice:No: argchoice:Yes:arb_textedit infile ; in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/phylip_dist_org.menu0000644012664100000130000000164511213220015021154 0ustar arb_buildcodersitem:Phylip Distance Methods (Original Phylip, Interactive) itemmeta: I itemmethod:(GEN_INFILE(in1);\ RUN_IN_WINDOW(($DPGM;\ mv -f outfile infile;\ ${ARB_XCMD:-cmdtool} $PROGRAM;\ $DISPLAY_FUNC));\ RM_LOCAL_FILES(in1))& itemhelp:phylip_distance.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_ph_xxx'):(arb_read_tree tree_ph_$$ outtree "PRG=$PROGRAM FILTER=$FILTER PKG=phylip (Interactive)") argchoice:TextEdit:arb_textedit outtree argchoice:Treetool:treetool outtree arg:PROGRAM arglabel:Which method? argtype:choice_menu argchoice:Fitch:fitch argchoice:Kitsch:kitsch argchoice:Neighbor:neighbor arg:DPGM arglabel:Treat data as.. argtype:choice_menu argchoice:RNA/DNA (dnadist):dnadist argchoice:AA (protdist):protdist in:in1 informat:genbank inmask:sdfgdfg insave: ./arbsrc_9167/GDEHELP/MENUS/phylip_help.menu0000644012664100000130000000243211213220015020265 0ustar arb_buildcodersitem:Phylip help itemmeta: h itemmethod:(arb_textedit $ARBHOME/GDEHELP/PHYLIP/$FILE)& itemhelp:phylip.help arg:FILE argtype:choice_menu arglabel:Which program? argchoice:clique:clique.doc argchoice:coallike:coallike.doc argchoice:consense:consense.doc argchoice:contchar:contchar.doc argchoice:contml:contml.doc argchoice:contrast:contrast.doc argchoice:discrete:discrete.doc argchoice:distance:distance.doc argchoice:dnacomp:dnacomp.doc argchoice:dnadist:dnadist.doc argchoice:dnainvar:dnainvar.doc argchoice:dnaml:dnaml.doc argchoice:dnamlk:dnamlk.doc argchoice:dnamove:dnamove.doc argchoice:dnapars:dnapars.doc argchoice:dnapenny:dnapenny.doc argchoice:dollop:dollop.doc argchoice:dolmove:dolmove.doc argchoice:dolpenny:dolpenny.doc argchoice:draw:draw.doc argchoice:drawgram:drawgram.doc argchoice:drawtree:drawtree.doc argchoice:factor:factor.doc argchoice:fitch:fitch.doc argchoice:gendist:gendist.doc argchoice:kitsch:kitsch.doc argchoice:main:main.doc argchoice:makeinf:makeinf.doc argchoice:mix:mix.doc argchoice:move:move.doc argchoice:neighbor:neighbor.doc argchoice:penny:penny.doc argchoice:protdist:protdist.doc argchoice:protml:protml.doc argchoice:protpars:protpars.doc argchoice:restml:restml.doc argchoice:retree:retree.doc argchoice:seqboot:seqboot.doc argchoice:sequence:sequence.doc ./arbsrc_9167/GDEHELP/MENUS/phylip_ml.menu0000644012664100000130000001062411213220015017747 0ustar arb_buildcoders item:PHYML (DNA) seqtype: N itemmeta: D itemmethod:( GEN_INFILE(in1); \ RUN_IN_WINDOW((arb_phyml infile DNA $MODEL $OPTFREQ $BASEFREQEST $TSTVRATIO $PINVAR $INTERACTIVE; \ $DISPLAY_FUNC )); \ )& itemhelp:phyml.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_phyml_'):arb_read_tree `/bin/cat arb_read_tree_args` tree_phyml_$$ outtree "PRG=phyml FILTER=$FILTER STYPE=DNA" argchoice:TextEdit:arb_textedit outfile & argchoice:Treetool:treetool outtree arg:MODEL argtype:choice_menu arglabel:Nuc. substitution model argchoice:HKY:0 argchoice:F84:1 argchoice:TN93:2 argchoice:GTR:3 argchoice:custom:4 argchoice:JC69:5 argchoice:KP2:6 argchoice:F81:7 arg:OPTFREQ argtype:choice_menu arglabel:Optimize equilibrium freq.? [custom] argchoice:No:0 argchoice:Yes:1 arg:BASEFREQEST argtype:choice_menu arglabel:Base frequency estimates argchoice:empirical:0 argchoice:ML:1 arg:TSTVRATIO argtype:choice_menu arglabel:Ts/tv ratio argchoice:fixed (4.00):0 argchoice:estimated:1 arg:PINVAR argtype:choice_menu arglabel:Proportion of invariable sites argchoice:fixed (0.00):0 argchoice:estimated:1 arg:INTERACTIVE argtype:choice_menu arglabel:Interactive? argchoice:No:0 argchoice:Yes:1 in:in1 informat:genbank inmask: insave: // -------------------------------------------------------------------------------- item:PHYML (Amino acids) seqtype: A itemmeta: M itemmethod:( GEN_INFILE(in1); \ RUN_IN_WINDOW((arb_phyml infile AA $MODEL $PINVAR $INTERACTIVE; \ $DISPLAY_FUNC )); \ )& itemhelp:phyml.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_phyml_'):arb_read_tree `/bin/cat arb_read_tree_args` tree_phyml_$$ outtree "PRG=phyml FILTER=$FILTER STYPE=AA" argchoice:TextEdit:arb_textedit outfile & argchoice:Treetool:treetool outtree arg:MODEL argtype:choice_menu arglabel:AA substitution model argchoice:JTT:0 argchoice:MtRev:1 argchoice:WAG:2 argchoice:DCMut:3 argchoice:RtREV:4 argchoice:CpREV:5 argchoice:VT:6 argchoice:Blosum62:7 argchoice:MtMam:8 argchoice:Dayhoff:9 arg:PINVAR argtype:choice_menu arglabel:Proportion of invariable sites argchoice:fixed (0.00):0 argchoice:estimated:1 arg:INTERACTIVE argtype:choice_menu arglabel:Interactive? argchoice:No:0 argchoice:Yes:1 in:in1 informat:genbank inmask: insave: // -------------------------------------------------------------------------------- item:Phylip PROML seqtype: A itemmeta: O itemmethod:(GEN_INFILE(in1);\ RUN_IN_WINDOW((arb_proml $BOOTSTRAP $MODEL $VIEWOUT $ANALYSIS $RANDOM $REARRANGE \ $RATE_VARIATION $VARIATION_COEFF $HMM_RATES $INV_FRACTION \ $INTERACTIVE; $DISPLAY_FUNC));\ RM_LOCAL_FILES(in1) )& itemhelp:proml.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_proml_'):arb_read_tree `/bin/cat arb_read_tree_args` tree_proml_$$ outtree "PRG=proml FILTER=$FILTER PKG=phylip BOOT=$BOOTSTRAP MODEL=$MODEL ANALYSIS=$ANALYSIS" argchoice:TextEdit:arb_textedit outfile & argchoice:Treetool:treetool outtree arg:MODEL argtype:choice_menu arglabel:Model argchoice:Jones-Taylor-Thornton:JTT argchoice:Dayhoff PAM:PAM arg:ANALYSIS argtype:choice_menu arglabel:Analysis argchoice:Rough & fast:rough argchoice:Fine & slow:fine arg:REARRANGE argtype:choice_menu arglabel:Global rearrangements argchoice:No:0 argchoice:Yes:1 arg:RANDOM argtype:choice_menu arglabel:Randomize sequence order argchoice:Yes:1 argchoice:No:0 arg:RATE_VARIATION argtype:choice_menu arglabel:Rate variation among sites? argchoice:Constant rate of change:0 argchoice:Gamma distributed rates:1 argchoice:Gamma+Invariant sites:2 arg:VARIATION_COEFF argtype:text arglabel:Variation coeff. (gamma only) argtext:4 arg:HMM_RATES argtype:text arglabel:Rates in HMM (gamma only) argtext:4 arg:INV_FRACTION argtype:text arglabel:Fraction of invariant sites argtext:0.1 arg:BOOTSTRAP argtype:choice_menu arglabel:How many bootstraps ? argchoice:Do not bootstrap:0 argchoice:10:10 argchoice:100:100 argchoice:500:500 argchoice:1000:1000 argchoice:5000:5000 argchoice:10000:10000 arg:VIEWOUT argtype:choice_menu arglabel:View report argchoice:No:0 argchoice:Yes:1 arg:INTERACTIVE argtype:choice_menu arglabel:Interactive? (no for bootstrap) argchoice:No:0 argchoice:Yes:1 in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/phylip_pars.menu0000644012664100000130000000561111213220015020304 0ustar arb_buildcodersitem:Phylip DNAPARS seqtype: N itemmeta: D itemmethod:(GEN_INFILE(in1);\ RUN_IN_WINDOW((arb_dnapars $BOOTSTRP $SEARCH $VIEWOUT $RANDOM $TRANSVERSION_PARS $THRESHOLD_PARS $INTERACTIVE;$DISPLAY_FUNC));\ RM_LOCAL_FILES(in1) )& itemhelp:dnapars.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_ph_'):arb_read_tree `/bin/cat arb_read_tree_args` tree_ph_$$ outtree "PRG=dnapars FILTER=$FILTER PKG=phylip BOOT=$BOOTSTRP" argchoice:TextEdit:arb_textedit outfile & argchoice:Treetool:treetool outtree arg:SEARCH argtype:choice_menu arglabel:Search depth argchoice:More thorough search:0 argchoice:Less thorough search:1 argchoice:Rearrange on one best tree:2 arg:RANDOM argtype:choice_menu arglabel:Randomize sequence order argchoice:Yes:1 argchoice:No:0 arg:TRANSVERSION_PARS argtype:choice_menu arglabel:Use transversion parsimony? argchoice:No:0 argchoice:Yes:1 arg:THRESHOLD_PARS argtype:text arglabel:Use threshold parsimony (0=no) argtext:0 arg:BOOTSTRP argtype:choice_menu arglabel:How many bootstraps ? argchoice:Do not bootstrap:0 argchoice:10:10 argchoice:100:100 argchoice:500:500 argchoice:1000:1000 argchoice:5000:5000 argchoice:10000:10000 arg:VIEWOUT argtype:choice_menu arglabel:View report argchoice:No:0 argchoice:Yes:1 arg:INTERACTIVE argtype:choice_menu arglabel:Interactive? (no for bootstrap) argchoice:No:0 argchoice:Yes:1 in:in1 informat:genbank inmask: insave: // -------------------------------------------------------------------------------- item:Phylip PROTPARS seqtype: A itemmeta: P itemmethod:(GEN_INFILE(in1);\ RUN_IN_WINDOW((arb_protpars $BOOTSTRP $GENETIC_CODE $VIEWOUT $RANDOM $THRESHOLD_PARS $INTERACTIVE;$DISPLAY_FUNC));\ RM_LOCAL_FILES(in1) )& itemhelp:protpars.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_ph_'):arb_read_tree `/bin/cat arb_read_tree_args` tree_ph_$$ outtree "PRG=protpars FILTER=$FILTER PKG=phylip BOOT=$BOOTSTRP CODE=$GENETIC_CODE" argchoice:TextEdit:arb_textedit outfile & argchoice:Treetool:treetool outtree arg:GENETIC_CODE argtype:choice_menu arglabel:Genetic code argchoice:Universal:U argchoice:Mitochondrial:M argchoice:Vertebrate mitochondrial:V argchoice:Fly mitochondrial:F argchoice:Yeast mitochondrial:Y arg:RANDOM argtype:choice_menu arglabel:Randomize sequence order argchoice:Yes:1 argchoice:No:0 arg:THRESHOLD_PARS argtype:text arglabel:Use threshold parsimony (0=no) argtext:0 arg:BOOTSTRP argtype:choice_menu arglabel:How many bootstraps ? argchoice:Do not bootstrap:0 argchoice:10:10 argchoice:100:100 argchoice:500:500 argchoice:1000:1000 argchoice:5000:5000 argchoice:10000:10000 arg:VIEWOUT argtype:choice_menu arglabel:View report argchoice:No:0 argchoice:Yes:1 arg:INTERACTIVE argtype:choice_menu arglabel:Interactive? (no for bootstrap) argchoice:No:0 argchoice:Yes:1 in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/pretty_print.menu0000644012664100000130000000263511213220015020520 0ustar arb_buildcoders/* dgg addition for new arb_readseq, 24 dec 92 */ item:Pretty print sequences (slow) ... itemmeta: P itemmethod: arb_readseq in1 -p -a -f=pretty $NAMELEFT $NAMERIGHT $NUMTOP $NUMBOT $NUMLEFT $NUMRIGHT -col=$COLS -width=$WIDTH $MATCH $GAPC > in1.pretty;\ (arb_textprint in1.pretty;\ /bin/rm -f in1 in1.pretty )& itemhelp:readseq.help in:in1 informat:genbank arg:NAMETOP argtype:choice_menu arglabel:Names at top ? argchoice:No: argchoice:Yes:-nametop arg:NAMELEFT argtype:choice_menu arglabel:Names at left ? argchoice:No: argchoice:Yes:-nameleft arg:NAMERIGHT argtype:choice_menu arglabel:Names at right? argchoice:Yes:-nameright argchoice:No: arg:NUMTOP argtype:choice_menu arglabel:Numbers at top ? argchoice:Yes:-numtop argchoice:No: arg:NUMBOT argtype:choice_menu arglabel:Numbers at tail ? argchoice:No: argchoice:Yes:-numbot arg:NUMLEFT argtype:choice_menu arglabel:Numbers at left ? argchoice:Yes:-numleft argchoice:No: arg:NUMRIGHT argtype:choice_menu arglabel:Numbers at right? argchoice:Yes:-numright argchoice:No: arg:MATCH argtype:choice_menu arglabel:Show difference to current species? argchoice:No: argchoice:Yes:-match arg:GAPC argtype:choice_menu arglabel:Count gap symbols? argchoice:No: argchoice:Yes:-gap arg:WIDTH argtype:slider arglabel:Sequence width? argmin:10 argmax:200 argvalue:100 arg:COLS argtype:slider arglabel:Column spacers? argmin:0 argmax:50 argvalue:10 ./arbsrc_9167/GDEHELP/MENUS/puzzle.menu0000644012664100000130000000077511213220015017311 0ustar arb_buildcodersitem:TREEPUZZLE ... itemmeta: T itemmethod:(GOTO_LOCAL_DIR; \ arb_convert_aln -GenBank in1 -phylip2 infile;\ RUN_IN_WINDOW((puzzle;$DISPLAY_FUNC));\ RM_LOCAL_FILES(in1 outdist) )& itemhelp:treepuzzle.help arg:DISPLAY_FUNC argtype:choice_menu arglabel:What to do with the tree? argchoice:ARB ('tree_puz_//'):arb_read_tree tree_puz_$$ outtree "PRG=PUZZLE FILTER=$FILTER PKG=strimmer/v. haeseler" argchoice:Treetool:treetool outtree in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/raxml.menu0000644012664100000130000001014611213220015017074 0ustar arb_buildcoders// this menu defines windows for two RAxml interfaces: DNA and PROTEIN // (depending on whether RAXML_DNA is defined or not) #define RAXML_CODE(_TYPE_,_PARAMS_) \ (GOTO_LOCAL_DIR ; \ arb_export_rates -r "$RATES" > weights; \ arb_convert_aln -GenBank in1 -phylip2 infile; \ RUN_IN_WINDOW(arb_raxml _TYPE_ infile weights "$TREE" $CONSTRAINT \ $RANDOMSTART $OPTIMIZEPARAMETERS $SEARCH \ "$INITIALREARRANGEMENT" "$SEED" \ "$NUMBEROFRUNS" "$TAKETREES" $CONSENSE \ _PARAMS_ \ ); \ RM_LOCAL_FILES(in1 last.infile treefile.in weights RAxML_info.treefile) )& #ifdef RAXML_DNA item:RAxML (DNA) itemmethod: RAXML_CODE(DNA,$RATEMODELNUC $NUMCATEGORIES) seqtype:N itemmeta:R #else item:RAxML (Protein) itemmethod: RAXML_CODE(PROTEIN,"$RATEMODELPROT" "$MATRIXNAME$EMPBFREQ") seqtype:A itemmeta:P #endif itemhelp:raxml.help arg:RATES argtype:weights arglabel:Select a Weighting Mask argchoice:POS_VAR_BY_PAR arg:TREE argtype:tree arglabel:Base tree argchoice:???? arg:CONSTRAINT argtype:choice_menu arglabel:Use as constraint tree argchoice:No:0 argchoice:Yes:1 arg:RANDOMSTART argtype:choice_menu arglabel:Generate random starting tree\n(if no tree selected) argchoice:No:0 argchoice:Yes:1 #ifdef RAXML_DNA arg:RATEMODELNUC argtype:choice_menu arglabel: Rate Distribution Model argchoice:GTRMIX:GTRMIX argchoice:GTRGAMMA:GTRGAMMA argchoice:GTRCAT:GTRCAT argchoice:GTRCAT_GAMMA:GTRCAT_GAMMA argchoice:GTRGAMMAI:GTRGAMMAI argchoice:GTRMIXI:GTRMIXI argchoice:GTRCAT_GAMMAI:GTRCAT_GAMMAI arg:NUMCATEGORIES argtype:text arglabel: # rate categories (GTRCAT only) argtext:25 #else arg:RATEMODELPROT argtype:choice_menu arglabel:Rate Distribution Model argchoice:PROTMIX:PROTMIX argchoice:PROTGAMMA:PROTGAMMA argchoice:PROTCAT:PROTCAT argchoice:PROTCAT_GAMMA:PROTCAT_GAMMA argchoice:PROTGAMMAI:PROTGAMMAI argchoice:PROTMIXI:PROTMIXI argchoice:PROTCAT_GAMMAI:PROTCAT_GAMMAI arg:MATRIXNAME argtype:choice_menu arglabel:AA Substitution Model argchoice:DAYHOFF:DAYHOFF argchoice:DCMUT:DCMUT argchoice:JTT:JTT argchoice:MTREV:MTREV argchoice:WAG:WAG argchoice:RTREV:RTREV argchoice:CPREV:CPREV argchoice:VT:VT argchoice:BLOSUM62:BLOSUM62 argchoice:MTMAM:MTMAM argchoice:GTR:GTR arg:EMPBFREQ arglabel:Use empirical base frequencies? argtype:choice_menu argchoice:No: argchoice:Yes:F #endif arg:OPTIMIZEPARAMETERS argtype:choice_menu #ifdef RAXML_DNA arglabel:Optimize branches/parameters\n(GTRMIX / GTRGAMMA only) #else arglabel:Optimize branches/parameters\n(PROTMIX / PROTGAMMA only) #endif argchoice:No:0 argchoice:Yes:1 arg:SEARCH argtype:choice_menu arglabel:Select RAxML algorithm argchoice:new rapid hill climbing:d argchoice:old hill climbing:o argchoice:optimize input tree:e argchoice:rapid bootstrap analysis:a argchoice:advanced bootstrap + refinement of BS tree:i argchoice:add new sequences to input tree (MP):p argchoice:randomized tree searches (fixed start tree):t // argchoice:optimize input tree (GAMMA/GAMMAI only):e // argchoice:advanced bootstrap + refinement of BS tree (GAMMA):i // argchoice:randomized tree searches on one fixed starting tree:t arg:SEED argtype:text arglabel:Random seed\n(empty=use time) argtext: arg:INITIALREARRANGEMENT argtype:text arglabel:Initial rearrangement setting\n(empty=autodetect) argtext: arg:NUMBEROFRUNS argtype:text arglabel:Number of runs argtext:1 arg:TAKETREES argtype:text arglabel:Select ## best trees argtext:1 arg:CONSENSE argtype:choice_menu arglabel:What to do with selected trees? argchoice:Import into ARB:import argchoice:Create consense tree:consense in:in1 informat:genbank inmask: insave: ./arbsrc_9167/GDEHELP/MENUS/start_arb.menu0000644012664100000130000000030711213220015017730 0ustar arb_buildcodersitem: Start a slave ARB on a foreign host ... seqtype:- itemmeta: A itemmethod:RUN_IN_WINDOW((DISPLAY=$dis:0;export DISPLAY;arb_ntree :)) & arg:dis argtype:text arglabel:hostname of slave host ? ./arbsrc_9167/GDEHELP/MENUS/warning.menu0000644012664100000130000000066411213220015017422 0ustar arb_buildcoders#define DEL # DEL DEL WARNING: this file is created automatically DEL edit ARB_GDEmenus.source and MENUS/xxx.menu instead DEL and run make in this directory DEL DEL To get more information read "GDE2.2_manual_text" DEL I added two new argtypes: DEL argtype:tree A list of trees in the database DEL argtype:weights A list of conservation profiles in the db DEL #undef DEL ./arbsrc_9167/GDEHELP/pp.pl0000755012664100000130000001770512050705371015200 0ustar arb_buildcoders#!/usr/bin/perl # ============================================================ # # # # File : pp.pl # # Purpose : a simple pseudo-C-preprocessor # # Motivation: # # The C-preprocessor behaves different on different # # systems (e.g. clang, suse) for ARB_GDEmenus. # # That resulted in various failures, # # some detected at compile-time, others at run-time. # # # # Coded by Ralf Westram (coder@reallysoft.de) in June 2012 # # Institute of Microbiology (Technical University Munich) # # http://www.arb-home.de/ # # # # ============================================================ # # Restrictions: # - '#if' unsupported # - comment parsing is error-prone use strict; use warnings; sub parseOneParam(\$) { my ($code_r) = @_; my $inside = ''; my @instack = (); my $param = ''; while ($$code_r =~ /[()[\],\"\']/o) { my ($before,$sep,$after) = ($`,$&,$'); if ($before =~ /\\$/o) { goto SHIFT; } if ($inside eq '"' or $inside eq '\'') { if ($sep eq $inside) { goto POP; } goto SHIFT; } if ($sep eq ',') { $$code_r = $after; return $param.$before; } if ($sep eq '\'' or $sep eq '"' or $sep eq '(' or $sep eq '[') { push @instack, $inside; $inside = $sep; goto SHIFT; } if ($sep eq ')') { if ($inside eq '') { $$code_r = $sep.$after; return $param.$before; } if ($inside ne '(') { die "Misplaced ')' in '$$code_r'\n"; } goto POP; } if ($sep eq ']') { if ($inside ne '[') { die "Misplaced ']' in '$$code_r'\n"; } POP: $inside = pop @instack; SHIFT: $param .= $before.$sep; $$code_r = $after; } else { die "unhandled separator: param='$param'\nbefore='$before'\nsep='$sep'\nafter='$after'\ncode_r='$$code_r'"; } } $param .= $$code_r; $$code_r = ''; return $param; } sub parseMacroParams($\@) { my ($code,$param_r) = @_; if (not $code =~ /^\(/o) { die "Expected '(', seen '$code'"; } $code = $'; PARAM: while (1) { $code =~ s/^\s+//o; if ($code =~ /^\)/o) { $code = $'; last PARAM; } if ($code eq '') { die "Missing or misplaced ')'"; } my $param = parseOneParam($code); push @$param_r, $param; } return $code; } sub apply_define($\@); sub apply_define($\@) { my ($line,$defr) = @_; my $name = $$defr[0]; if ($line =~ /\b$name\b/) { my ($prefix,$suffix) = ($`,$'); my $pcount = $$defr[1]; if ($pcount==0) { return $prefix.$$defr[2].apply_define($suffix,@$defr); } my @param = (); $suffix = parseMacroParams($suffix,@param); my $paramCount = scalar(@param); if ($paramCount ne $pcount) { die "Expected $pcount arguments for macro '$name' (found $paramCount)\n"; } my $expanded = $$defr[$pcount+2]; for (my $p=0; $p<$pcount; $p++) { my $search = $$defr[$p+2]; my $replace = $param[$p]; $expanded =~ s#$search#$replace#g; } return $prefix.$expanded.apply_define($suffix,@$defr); } return $line; } my @define = (); # list of defines (applied in order). contains array refs to [ name, pcount, [ pnames...,] content ] my %define = (); # known defines sub apply_defines($) { my ($line) = @_; foreach my $defr (@define) { $line = apply_define($line, @$defr); } return $line; } sub def_define { my @def = @_; unshift @define, \@def; $define{$def[0]} = 1; } sub add_define($) { my ($rest) = @_; if ($rest =~ /^[A-Z0-9_]+/io) { my ($name,$param) = ($&,$'); if ($param eq '') { def_define($name, 0, ''); } elsif ($param =~ /^\s+/o) { def_define($name, 0, apply_defines($')); } elsif ($param =~ /^\(([a-z0-9,_]+)\)\s+/io) { my ($args,$def) = ($1,$'); $args =~ s/\s+//oig; my @args = split /,/,$args; my $count = scalar(@args); my @array = ( $name, $count ); foreach (@args) { push @array, $_; } push @array, apply_defines($def); def_define(@array); } else { die "invalid macro parameter '$param'"; } } else { die "invalid define '$rest'\n"; } } sub rm_define($) { my ($rest) = @_; if ($rest =~ /^[A-Z0-9_]+/io) { my $name = $&; if (exists $define{$name}) { @define = map { my $def_r = $_; if ($$def_r[0] eq $name) { ; } else { $def_r; } } @define; delete $define{$name}; } else { die "'$name' has not been defined"; } } else { die "invalid undef '$rest'\n"; } } sub is_defined($) { my ($rest) = @_; if ($rest =~ /^[A-Z0-9_]+/io) { my $name = $&; exists $define{$name}; } else { die "invalid ifdef '$rest'\n"; } } my $inMultiLineComment = 0; sub remove_comments($); sub remove_comments($) { my ($line) = @_; if ($inMultiLineComment) { if ($line =~ /\*\//o) { $inMultiLineComment--; $line = $'; } if ($inMultiLineComment) { return ''; } } if ($line =~ /^[^'"]*\/\//o) { return $`."\n"; } if ($line =~ /\/\*/o) { $inMultiLineComment++; return remove_comments($'); } return $line; } sub preprocess($); my @include = (); # list of include directories sub include_via_ipath($) { my ($name) = @_; foreach (@include) { my $rel = $_.'/'.$name; if (-f $rel) { preprocess($rel); return; } } die "Could not find include file '$name'\n"; } sub include($) { my ($spec) = @_; if ($spec =~ /^\"([^\"]+)\"/o) { my $name = $1; if (-f $name) { preprocess($name); } else { include_via_ipath($name); } } elsif ($spec =~ /^<([^>]+)>/o) { my $name = $1; include_via_ipath($name); } else { die "no idea how to include '$spec'\n"; } } sub preprocess($) { my ($src) = @_; my $skip = 0; my @skipstack = (); open(my $IN,'<'.$src) || die "can't read '$src' (Reason: $!)"; my $line; while (defined($line=<$IN>)) { while ($line =~ /\\\n/o) { # concat multilines my ($body) = $`; my $nextLine = <$IN>; if (not defined $nextLine) { die "runaway multiline"; } $line = $body.$nextLine; } eval { if ($line =~ /^\s*[#]\s*([^\s]*)\s+/o) { my ($token,$rest) = ($1,$'); chomp($rest); if ($token eq 'define') { add_define($rest); } elsif ($token eq 'undef') { rm_define($rest); } elsif ($token eq 'include') { my $oline = $.; eval { include($rest); }; $. = $oline; if ($@) { die "included from here\n$@"; } } elsif ($token eq 'ifdef') { push @skipstack, $skip; $skip = is_defined($rest) ? 0 : 1; } elsif ($token eq 'else') { if (scalar(@skipstack)==0) { die "else w/o if\n"; } $skip = 1-$skip; } elsif ($token eq 'endif') { if (scalar(@skipstack)==0) { die "endif w/o if\n"; } $skip = pop @skipstack; } else { die "unknown preprocessor token='$token' rest='$rest'\n"; } } else { if ($skip==0) { $line = remove_comments($line); print apply_defines($line); } } }; if ($@) { die "$src:$.: $@\n"; } } if (scalar(@skipstack)!=0) { die "EOF reached while inside if\n"; } close($IN); } sub addIncludePaths($) { my ($pathlist) = @_; my @paths = split /;/, $pathlist; foreach (@paths) { push @include, $_; } } sub main() { eval { my $src = undef; foreach (@ARGV) { if ($_ =~ /^-I/) { addIncludePaths($'); } else { if (defined $src) { die "Multiple sources specified ('$src' and '$_')\n"; } $src = $_; } } preprocess($src); }; if ($@) { die "$@ (in pp.pl)\n"; } } main(); ./arbsrc_9167/GDE/Makefile0000644012664100000130000000451311656765614015222 0ustar arb_buildcoders ARCHS_ALL = \ CLUSTAL/CLUSTAL.dummy \ SUPPORT/SUPPORT.dummy \ AxML/AxML.dummy \ RAxML/RAxML.dummy \ PHYML/PHYML.dummy \ # -------------------------------------------------------------------------------- # If a package is available as debian package it should go here # # Note: I'm not sure whether this is a good idea. Due to limited manpower it often takes # longer until ARB works with newer (incompatible) versions of these tools. --ralf ARCHS_NON_DEBIAN = \ CLUSTALW/CLUSTALW.dummy \ PHYLIP/PHYLIP.dummy \ TREEPUZZLE/TREEPUZZLE.dummy \ FASTDNAML/FASTDNAML.dummy \ # -------------------------------------------------------------------------------- ifdef DEBIAN ARCHS = $(ARCHS_ALL) else ARCHS = $(ARCHS_ALL) $(ARCHS_NON_DEBIAN) endif # -------------------------------------------------------------------------------- # no warnings in this subtree RAISE_WARNINGS=0 ifeq ('$(RAISE_WARNINGS)','0') sub_cflags:=$(subst -W -Wall,-w,$(cflags)) else sub_cflags:=$(cflags) endif # -------------------------------------------------------------------------------- $(MAIN): ifeq ('$(RAISE_WARNINGS)','0') @echo ----------------- non-ARB code: warnings disabled endif $(MAKE) $(ARCHS) ifeq ('$(RAISE_WARNINGS)','0') @echo ----------------- warnings enabled again endif proto: @echo "Nothing to be done for proto" depends: $(ARCHS:.dummy=.depend) clean: $(ARCHS:.dummy=.clean) %.depend: @cp -p $(@D)/Makefile $(@D)/Makefile.old # save old Makefile @$(MAKE) -C $(@D) -r depends @grep "^# DO NOT DELETE" $(@D)/Makefile >/dev/null # check whether sub Makefile has dependencies @cat $(@D)/Makefile \ | ../SOURCE_TOOLS/fix_depends.pl \ >$(@D)/Makefile.2 @mv $(@D)/Makefile.old $(@D)/Makefile # restore old Makefile @$(ARBHOME)/SOURCE_TOOLS/mv_if_diff $(@D)/Makefile.2 $(@D)/Makefile # update Makefile if changed %.dummy: @(( \ $(MAKE) -C $(@D) -r \ "ARB = yes" \ "MAIN = $(@F:.dummy=.a)" \ "cflags = $(sub_cflags) -DIN_ARB_$(@D:/=)" \ >$(@D).$$ID.log 2>&1 && (cat $(@D).$$ID.log;rm $(@D).$$ID.log)) || (cat $(@D).$$ID.log;rm $(@D).$$ID.log;false)) %.clean: @$(MAKE) -C $(@D) \ "ARB = yes" \ clean # the end of the above command avoids that the output of parallel make calls gets mixed up # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ./arbsrc_9167/GDE/PHYLIP/clique.c0000644012664100000130000010665011213220011016160 0ustar arb_buildcoders#include "phylip.h" #include "disc.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Jerry Shurman, Hisashi Horino, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define FormWide 80 /* width of outfile page */ typedef boolean *aPtr; typedef long *SpPtr, *ChPtr; typedef struct vecrec { aPtr vec; struct vecrec *next; } vecrec; typedef vecrec **aDataPtr; typedef vecrec **Matrix; #ifndef OLDC /* function prototypes */ void clique_gnu(vecrec **); void clique_chuck(vecrec *); void nunode(node **); void getoptions(void); void clique_setuptree(void); void allocrest(void); void doinit(void); void clique_inputancestors(void); void clique_printancestors(void); void clique_inputfactors(void); void inputoptions(void); void clique_inputdata(void); boolean Compatible(long, long); void SetUp(vecrec **); void Intersect(boolean *, boolean *, boolean *); long CountStates(boolean *); void Gen1(long , long, boolean *, boolean *, boolean *); boolean Ingroupstate(long ); void makeset(void); void Init(long *, long *, long *, aPtr); void ChSort(long *, long *, long); void PrintClique(boolean *); void bigsubset(long *, long); void recontraverse(node **, long *, long, long); void reconstruct(long, long); void reroot(node *); void clique_coordinates(node *, long *, long); void clique_drawline(long); void clique_printree(void); void DoAll(boolean *, boolean *, boolean *, long); void Gen2(long, long, boolean *, boolean *, boolean *); void GetMaxCliques(vecrec **); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], outtreename[FNMLNGTH]; long ActualChars, Cliqmin, outgrno, col, ith, datasets, setsz; boolean ancvar, Clmin, Factors, outgropt, trout, weights, noroot, printcomp, progress, treeprint, mulsets, firstset; long nodes; aPtr ancone; Char *Factor; long *ActChar, *oldweight; aDataPtr Data; Matrix Comp; /* the character compatibility matrix */ node *root; long **grouping; pointptr treenode; /* pointers to all nodes in tree */ vecrec *garbage; /* these variables are to DoAll in the pascal Version. */ aPtr aChars; boolean *Rarer; long n, MaxChars; SpPtr SpOrder; ChPtr ChOrder; /* variables for GetMaxCliques: */ vecrec **Comp2; long tcount; aPtr Temp, Processed, Rarer2; void clique_gnu(vecrec **p) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (garbage != NULL) { *p = garbage; garbage = garbage->next; } else { *p = (vecrec *)Malloc((long)sizeof(vecrec)); (*p)->vec = (aPtr)Malloc((long)chars*sizeof(boolean)); } (*p)->next = NULL; } /* clique_gnu */ void clique_chuck(vecrec *p) { /* collect garbage on p -- put it on front of garbage list */ p->next = garbage; garbage = p; } /* clique_chuck */ void nunode(node **p) { /* replacement for NEW */ *p = (node *)Malloc((long)sizeof(node)); (*p)->next = NULL; (*p)->tip = false; } /* nunode */ void getoptions(void) { /* interactively set options */ long loopcount, loopcount2; Char ch; boolean done; fprintf(outfile, "\nLargest clique program, version %s\n\n",VERSION); putchar('\n'); ancvar = false; Clmin = false; Factors = false; outgrno = 1; outgropt = false; trout = true; weights = false; printdata = false; printcomp = false; progress = true; treeprint = true; loopcount = 0; do { cleerhome(); printf("\nLargest clique program, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" A Use ancestral states in input file? %s\n", (ancvar ? "Yes" : "No")); printf(" C Specify minimum clique size?"); if (Clmin) printf(" Yes, at size%3ld\n", Cliqmin); else printf(" No\n"); printf(" O Outgroup root? %s%3ld\n", (outgropt ? "Yes, at species number" : "No, use as outgroup species"),outgrno); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out compatibility matrix %s\n", (printcomp ? "Yes" : "No")); printf(" 4 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 5 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if (strchr("OACM012345",ch) != NULL){ switch (ch) { case 'A': ancvar = !ancvar; break; case 'C': Clmin = !Clmin; if (Clmin) { loopcount2 = 0; do { printf("Minimum clique size:\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &Cliqmin); getchar(); countup(&loopcount2, 10); } while (Cliqmin < 0); } break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': printcomp = !printcomp; break; case '4': treeprint = !treeprint; break; case '5': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } while (!done); } /* getoptions */ void clique_setuptree(void) { /* initialization of tree pointers, variables */ long i; treenode = (pointptr)Malloc((long)spp*sizeof(node *)); for (i = 0; i < spp; i++) { treenode[i] = (node *)Malloc((long)sizeof(node)); treenode[i]->next = NULL; treenode[i]->back = NULL; treenode[i]->index = i + 1; treenode[i]->tip = false; } } /* clique_setuptree */ void allocrest(void) { long i; Data = (aDataPtr)Malloc((long)spp*sizeof(vecrec *)); for (i = 0; i < (spp); i++) clique_gnu(&Data[i]); Comp = (Matrix)Malloc((long)chars*sizeof(vecrec *)); for (i = 0; i < (chars); i++) clique_gnu(&Comp[i]); setsz = (long)ceil(((double)spp+1.0)/(double)SETBITS); ancone = (aPtr)Malloc((long)chars*sizeof(boolean)); Factor = (Char *)Malloc((long)chars*sizeof(Char)); ActChar = (long *)Malloc((long)chars*sizeof(long)); oldweight = (long *)Malloc((long)chars*sizeof(long)); weight = (long *)Malloc((long)chars*sizeof(long)); nayme = (naym *)Malloc((long)spp*sizeof(naym)); } /* allocrest */ void doinit(void) { /* initializes variables */ inputnumbersold(&spp, &chars, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld characters\n", spp, chars); clique_setuptree(); allocrest(); } /* doinit */ void clique_inputancestors(void) { /* reads the ancestral states for each character */ long i; Char ch; for (i = 1; i < nmlngth; i++) gettc(infile); for (i = 0; i < (chars); i++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); } while (ch == ' '); switch (ch) { case '1': ancone[i] = true; break; case '0': ancone[i] = false; break; default: printf("BAD ANCESTOR STATE: %c AT CHARACTER %4ld\n", ch, i + 1); exxit(-1); } } scan_eoln(infile); } /* clique_inputancestors */ void clique_printancestors(void) { /* print out list of ancestral states */ long i; fprintf(outfile, "Ancestral states:\n"); for (i = 1; i <= nmlngth + 2; i++) putc(' ', outfile); for (i = 1; i <= (chars); i++) { newline(outfile, i, 55, (long)nmlngth + 1); if (ancone[i - 1]) putc('1', outfile); else putc('0', outfile); if (i % 5 == 0) putc(' ', outfile); } fprintf(outfile, "\n\n"); } /* clique_printancestors */ void clique_inputfactors(void) { /* reads the factor symbols */ long i; ActualChars = 1; for (i = 1; i < nmlngth; i++) gettc(infile); for (i = 1; i <= (chars); i++) { if (eoln(infile)) scan_eoln(infile); Factor[i - 1] = gettc(infile); if (i > 1) { if (Factor[i - 1] != Factor[i - 2]) ActualChars++; } ActChar[i - 1] = ActualChars; } scan_eoln(infile); Factors = true; } /* clique_inputfactors */ void inputoptions(void) { /* reads the species names and character data */ long i, Extranum; Char ch; boolean avar; if (!firstset) samenumsp(&chars, ith); avar = false; ActualChars = chars; for (i = 1; i <= (chars); i++) ActChar[i - 1] = i; for (i = 0; i < (chars); i++) oldweight[i] = 1; Extranum = 0; while (!(eoln(infile))) { ch = gettc(infile); uppercase(&ch); if (ch == 'A' || ch == 'F' || ch == 'W') Extranum++; else if (ch != ' ') { printf("BAD OPTION CHARACTER: %c\n", ch); putc('\n', outfile); exxit(-1); } } scan_eoln(infile); for (i = 1; i <= Extranum; i++) { ch = gettc(infile); uppercase(&ch); if (ch != 'A' && ch != 'F' && ch != 'W') { printf("\n\nERROR: Incorrect auxiliary options line"); printf(" which starts with %c\n\n", ch); } if (ch == 'A') { avar = true; if (!ancvar) { printf("\n\nERROR: Ancestor option not chosen in menu"); printf(" with option %c in input\n\n",ch); exxit(-1); } else clique_inputancestors(); } if (ch == 'F') clique_inputfactors(); if (ch == 'W') inputweightsold(chars, oldweight, &weights); } if (ancvar && !avar) { printf("\n\nERROR: Ancestor option chosen in menu"); printf(" with no option A in input\n\n"); exxit(-1); } if (weights && printdata) printweights(outfile, 0, ActualChars, oldweight, "Characters"); if (Factors) printfactors(outfile, chars, Factor, ""); if (ancvar && avar && printdata) clique_printancestors(); noroot = !(outgropt || (ancvar && avar)); } /* inputoptions */ void clique_inputdata(void) { long i, j; Char ch; j = chars / 2 + (chars / 5 - 1) / 2 - 5; if (j < 0) j = 0; if (j > 27) j = 27; if (printdata) { fprintf(outfile, "Species "); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "Character states\n"); fprintf(outfile, "------- "); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "--------- ------\n\n"); } for (i = 0; i < (spp); i++) { initname(i); if (printdata) for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); if (printdata) fprintf(outfile, " "); for (j = 1; j <= (chars); j++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); } while (ch == ' '); if (printdata) { putc(ch, outfile); newline(outfile, j, 55, (long)nmlngth + 1); if (j % 5 == 0) putc(' ', outfile); } if (ch != '0' && ch != '1') { printf("\n\nERROR: Bad character state: %c (not 0 or 1)", ch); printf(" at character %ld of species %ld\n\n", j, i + 1); exxit(-1); } Data[i]->vec[j - 1] = (ch == '1'); } scan_eoln(infile); if (printdata) putc('\n', outfile); } putc('\n', outfile); for (i = 0; i < (chars); i++) { if (i + 1 == 1 || !Factors) weight[i] = oldweight[i]; else if (Factor[i] != Factor[i - 1]) weight[ActChar[i] - 1] = oldweight[i]; } } /* clique_inputdata */ boolean Compatible(long ch1, long ch2) { /* TRUE if two characters ch1 < ch2 are compatible */ long i, j, k; boolean Compt, Done1, Done2; boolean Info[4]; Compt = true; j = 1; while (ch1 > ActChar[j - 1]) j++; Done1 = (ch1 != ActChar[j - 1]); while (!Done1) { k = j; while (ch2 > ActChar[k - 1]) k++; Done2 = (ch2 != ActChar[k - 1]); while (!Done2) { for (i = 0; i <= 3; i++) Info[i] = false; if (ancvar) { if (ancone[j - 1] && ancone[k - 1]) Info[0] = true; else if (ancone[j - 1] && !ancone[k - 1]) Info[1] = true; else if (!ancone[j - 1] && ancone[k - 1]) Info[2] = true; else Info[3] = true; } for (i = 0; i < (spp); i++) { if (Data[i]->vec[j - 1] && Data[i]->vec[k - 1]) Info[0] = true; else if (Data[i]->vec[j - 1] && !Data[i]->vec[k - 1]) Info[1] = true; else if (!Data[i]->vec[j - 1] && Data[i]->vec[k - 1]) Info[2] = true; else Info[3] = true; } Compt = (Compt && !(Info[0] && Info[1] && Info[2] && Info[3])); k++; Done2 = (k > chars); if (!Done2) Done2 = (ch2 != ActChar[k - 1]); } j++; Done1 = (j > chars); if (!Done1) Done1 = (ch1 != ActChar[j - 1]); } return Compt; } /* Compatible */ void SetUp(vecrec **Comp) { /* sets up the compatibility matrix */ long i, j; if (printcomp) { if (Factors) fprintf(outfile, " (For original multistate characters)\n"); fprintf(outfile, "Character Compatibility Matrix (1 if compatible)\n"); fprintf(outfile, "--------- ------------- ------ -- -- -----------\n\n"); } for (i = 0; i < (ActualChars); i++) { if (printcomp) { for (j = 1; j <= ((48 - ActualChars) / 2); j++) putc(' ', outfile); for (j = 1; j < i + 1; j++) { if (Comp[i]->vec[j - 1]) putc('1', outfile); else putc('.', outfile); newline(outfile, j, 70, (long)nmlngth + 1); } } Comp[i]->vec[i] = true; if (printcomp) putc('1', outfile); for (j = i + 1; j < (ActualChars); j++) { Comp[i]->vec[j] = Compatible(i + 1, j + 1); if (printcomp) { if (Comp[i]->vec[j]) putc('1', outfile); else putc('.', outfile); } Comp[j]->vec[i] = Comp[i]->vec[j]; } if (printcomp) putc('\n', outfile); } putc('\n', outfile); } /* SetUp */ void Intersect(boolean *V1, boolean *V2, boolean *V3) { /* takes the logical intersection V1 AND V2 */ long i; for (i = 0; i < (ActualChars); i++) V3[i] = (V1[i] && V2[i]); } /* Intersect */ long CountStates(boolean *V) { /* counts the 1's in V */ long i, TempCount; TempCount = 0; for (i = 0; i < (ActualChars); i++) { if (V[i]) TempCount += weight[i]; } return TempCount; } /* CountStates */ void Gen1(long i, long CurSize, boolean *aChars, boolean *Candidates, boolean *Excluded) { /* finds largest size cliques and prints them out */ long CurSize2, j, k, Actual, Possible; boolean Futile; vecrec *Chars2, *Cands2, *Excl2, *Cprime, *Exprime; clique_gnu(&Chars2); clique_gnu(&Cands2); clique_gnu(&Excl2); clique_gnu(&Cprime); clique_gnu(&Exprime); CurSize2 = CurSize; memcpy(Chars2->vec, aChars, chars*sizeof(boolean)); memcpy(Cands2->vec, Candidates, chars*sizeof(boolean)); memcpy(Excl2->vec, Excluded, chars*sizeof(boolean)); j = i; while (j <= ActualChars) { if (Cands2->vec[j - 1]) { Chars2->vec[j - 1] = true; Cands2->vec[j - 1] = false; CurSize2 += weight[j - 1]; Possible = CountStates(Cands2->vec); Intersect(Cands2->vec, Comp2[j - 1]->vec, Cprime->vec); Actual = CountStates(Cprime->vec); Intersect(Excl2->vec, Comp2[j - 1]->vec, Exprime->vec); Futile = false; for (k = 0; k <= j - 2; k++) { if (Exprime->vec[k] && !Futile) { Intersect(Cprime->vec, Comp2[k]->vec, Temp); Futile = (CountStates(Temp) == Actual); } } if (CurSize2 + Actual >= Cliqmin && !Futile) { if (Actual > 0) Gen1(j + 1,CurSize2,Chars2->vec,Cprime->vec,Exprime->vec); else if (CurSize2 > Cliqmin) { Cliqmin = CurSize2; if (tcount >= 0) tcount = 1; } else if (CurSize2 == Cliqmin) tcount++; } if (Possible > Actual) { Chars2->vec[j - 1] = false; Excl2->vec[j - 1] = true; CurSize2 -= weight[j - 1]; } else j = ActualChars; } j++; } clique_chuck(Chars2); clique_chuck(Cands2); clique_chuck(Excl2); clique_chuck(Cprime); clique_chuck(Exprime); } /* Gen1 */ boolean Ingroupstate(long i) { /* the ingroup state for the i-th character */ boolean outstate; if (noroot) { outstate = Data[0]->vec[i - 1]; return (!outstate); } if (ancvar) outstate = ancone[i - 1]; else outstate = Data[outgrno - 1]->vec[i - 1]; return (!outstate); } /* Ingroupstate */ void makeset(void) { /* make up set of species for given set of characters */ long i, j, k, m; boolean instate; long *st; st = (long *)Malloc(setsz*sizeof(long)); n = 0; for (i = 0; i < (MaxChars); i++) { for (j = 0; j < setsz; j++) st[j] = 0; instate = Ingroupstate(ChOrder[i]); for (j = 0; j < (spp); j++) { if (Data[SpOrder[j] - 1]->vec[ChOrder[i] - 1] == instate) { m = (long)(SpOrder[j]/SETBITS); st[m] = ((long)st[m]) | (1L << (SpOrder[j] % SETBITS)); } } memcpy(grouping[++n - 1], st, setsz*sizeof(long)); } for (i = 0; i < (spp); i++) { k = (long)(SpOrder[i]/SETBITS); grouping[++n - 1][k] = 1L << (SpOrder[i] % SETBITS); } free(st); } /* makeset */ void Init(long *ChOrder, long *Count, long *MaxChars, aPtr aChars) { /* initialize vectors and character count */ long i, j, temp; boolean instate; *MaxChars = 0; for (i = 1; i <= (chars); i++) { if (aChars[ActChar[i - 1] - 1]) { (*MaxChars)++; ChOrder[*MaxChars - 1] = i; instate = Ingroupstate(i); temp = 0; for (j = 0; j < (spp); j++) { if (Data[j]->vec[i - 1] == instate) temp++; } Count[i - 1] = temp; } } } /*Init */ void ChSort(long *ChOrder, long *Count, long MaxChars) { /* sorts the characters by number of ingroup states */ long j, temp; boolean ordered; ordered = false; while (!ordered) { ordered = true; for (j = 1; j < MaxChars; j++) { if (Count[ChOrder[j - 1] - 1] < Count[ChOrder[j] - 1]) { ordered = false; temp = ChOrder[j - 1]; ChOrder[j - 1] = ChOrder[j]; ChOrder[j] = temp; } } } } /* ChSort */ void PrintClique(boolean *aChars) { /* prints the characters in a clique */ long i, j; fprintf(outfile, "\n\n"); if (Factors) { fprintf(outfile, "Actual Characters: ("); j = 0; for (i = 1; i <= (ActualChars); i++) { if (aChars[i - 1]) { fprintf(outfile, "%3ld", i); j++; newline(outfile, j, (long)((FormWide - 22) / 3), (long)nmlngth + 1); } } fprintf(outfile, ")\n"); } if (Factors) fprintf(outfile, "Binary "); fprintf(outfile, "Characters: ("); j = 0; for (i = 1; i <= (chars); i++) { if (aChars[ActChar[i - 1] - 1]) { fprintf(outfile, "%3ld", i); j++; if (Factors) newline(outfile, j, (long)((FormWide - 22) / 3), (long)nmlngth + 1); else newline(outfile, j, (long)((FormWide - 15) / 3), (long)nmlngth + 1); } } fprintf(outfile, ")\n\n"); } /* PrintClique */ void bigsubset(long *st, long n) { /* find a maximal subset of st among the groupings */ long i, j; long *su; boolean max, same; su = (long *)Malloc(setsz*sizeof(long)); for (i = 0; i < setsz; i++) su[i] = 0; for (i = 0; i < n; i++) { max = true; for (j = 0; j < setsz; j++) if ((grouping[i][j] & ~st[j]) != 0) max = false; if (max) { same = true; for (j = 0; j < setsz; j++) if (grouping[i][j] != st[j]) same = false; if (!same) { for (j = 0; j < setsz; j++) if ((su[j] & ~grouping[i][j]) != 0) max = false; if (max) { same = true; for (j = 0; j < setsz; j++) if (grouping[i][j] != su[j]) same = false; if (!same) memcpy(su, grouping[i], setsz*sizeof(long)); } } } } memcpy(st, su, setsz*sizeof(long)); free(su); } /* bigsubset */ void recontraverse(node **p, long *st, long n, long MaxChars) { /* traverse to reconstruct the tree from the characters */ long i, j, k, maxpos; long *tempset, *st2; boolean found, zero, zero2, same; node *q; j = k = 0; for (i = 1; i <= (spp); i++) { if (((1L << (i % SETBITS)) & st[(long)(i / SETBITS)]) != 0) { k++; j = i; } } if (k == 1) { *p = treenode[j - 1]; (*p)->tip = true; (*p)->index = j; return; } nunode(p); (*p)->index = 0; tempset = (long*)Malloc(setsz*sizeof(long)); memcpy(tempset, st, setsz*sizeof(long)); q = *p; zero = true; for (i = 0; i < setsz; i++) if (tempset[i] != 0) zero = false; if (!zero) bigsubset(tempset, n); zero = true; zero2 = true; for (i = 0; i < setsz; i++) if (st[i] != 0) zero = false; if (!zero) { for (i = 0; i < setsz; i++) if (tempset[i] != 0) zero2 = false; } st2 = (long *)Malloc(setsz*sizeof(long)); memcpy(st2, st, setsz*sizeof(long)); while (!zero2) { nunode(&q->next); q = q->next; recontraverse(&q->back, tempset, n,MaxChars); i = 1; maxpos = 0; while (i <= MaxChars) { same = true; for (j = 0; j < setsz; j++) if (grouping[i - 1][j] != tempset[j]) same = false; if (same) maxpos = i; i++; } q->back->maxpos = maxpos; q->back->back = q; for (j = 0; j < setsz; j++) st2[j] &= ~tempset[j]; memcpy(tempset, st2, setsz*sizeof(long)); found = false; i = 1; while (!found && i <= n) { same = true; for (j = 0; j < setsz; j++) if (grouping[i - 1][j] != tempset[j]) same = false; if (same) found = true; else i++; } zero = true; for (j = 0; j < setsz; j++) if (tempset[j] != 0) zero = false; if (!zero && !found) bigsubset(tempset, n); zero = true; zero2 = true; for (j = 0; j < setsz; j++) if (st2[j] != 0) zero = false; if (!zero) for (j = 0; j < setsz; j++) if (tempset[j] != 0) zero2 = false; } q->next = *p; free(tempset); free(st2); } /* recontraverse */ void reconstruct(long n, long MaxChars) { /* reconstruct tree from the subsets */ long i; long *s; s = (long *)Malloc(setsz*sizeof(long)); for (i = 0; i < setsz; i++) { if (i+1 == setsz) { s[i] = 1L << ((spp % SETBITS) + 1); if (setsz > 1) s[i] -= 1; else s[i] -= 1L << 1; } else if (i == 0) { if (setsz > 1) s[i] = ~0L - 1; } else { if (setsz > 2) s[i] = ~0L; } } recontraverse(&root,s,n,MaxChars); free(s); } /* reconstruct */ void reroot(node *outgroup) { /* reorients tree, putting outgroup in desired position. */ long i; boolean nroot; node *p, *q; nroot = false; p = root->next; while (p != root) { if (outgroup->back == p) { nroot = true; p = root; } else p = p->next; } if (nroot) return; p = root; i = 0; while (p->next != root) { p = p->next; i++; } if (i == 2) { root->next->back->back = p->back; p->back->back = root->next->back; q = root->next; } else { p->next = root->next; nunode(&root->next); q = root->next; nunode(&q->next); p = q->next; p->next = root; q->tip = false; p->tip = false; } q->back = outgroup; p->back = outgroup->back; outgroup->back->back = p; outgroup->back = q; } /* reroot */ void clique_coordinates(node *p, long *tipy, long MaxChars) { /* establishes coordinates of nodes */ node *q, *first, *last; long maxx; if (p->tip) { p->xcoord = 0; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; return; } q = p->next; maxx = 0; while (q != p) { clique_coordinates(q->back, tipy, MaxChars); if (!q->back->tip) { if (q->back->xcoord > maxx) maxx = q->back->xcoord; } q = q->next; } first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (MaxChars - p->maxpos) * 3 - 2; if (p == root) p->xcoord += 2; p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* clique_coordinates */ void clique_drawline(long i) { /* draws one row of the tree diagram by moving up tree */ node *p, *q; long n, m, j, k, l, sumlocpos, size, locpos, branchpos; long *poslist; boolean extra, done, plus, found, same; node *r, *first = NULL, *last = NULL; poslist = (long *)Malloc((long)(spp + MaxChars)*sizeof(long)); branchpos = 0; p = root; q = root; fprintf(outfile, " "); extra = false; plus = false; do { if (!p->tip) { found = false; r = p->next; while (r != p && !found) { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; found = true; } else r = r->next; } first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; } done = (p->tip || p == q); n = p->xcoord - q->xcoord; m = n; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if (!q->tip) { putc('+', outfile); plus = true; j = 1; for (k = 1; k <= (q->maxpos); k++) { same = true; for (l = 0; l < setsz; l++) if (grouping[k - 1][l] != grouping[q->maxpos - 1][l]) same = false; if (same) { poslist[j - 1] = k; j++; } } size = j - 1; if (size == 0) { for (k = 1; k < n; k++) putc('-', outfile); sumlocpos = n; } else { sumlocpos = 0; j = 1; while (j <= size) { locpos = poslist[j - 1] * 3; if (j != 1) locpos -= poslist[j - 2] * 3; else locpos -= branchpos; for (k = 1; k < locpos; k++) putc('-', outfile); if (Rarer[ChOrder[poslist[j - 1] - 1] - 1]) putc('1', outfile); else putc('0', outfile); sumlocpos += locpos; j++; } for (j = sumlocpos + 1; j < n; j++) putc('-', outfile); putc('+', outfile); if (m > 0) branchpos += m; extra = true; } } else { if (!plus) { putc('+', outfile); plus = false; } else n++; j = 1; for (k = 1; k <= (q->maxpos); k++) { same = true; for (l = 0; l < setsz; l++) if (grouping[k - 1][l] != grouping[q->maxpos - 1][l]) same = false; if (same) { poslist[j - 1] = k; j++; } } size = j - 1; if (size == 0) { for (k = 1; k <= n; k++) putc('-', outfile); sumlocpos = n; } else { sumlocpos = 0; j = 1; while (j <= size) { locpos = poslist[j - 1] * 3; if (j != 1) locpos -= poslist[j - 2] * 3; else locpos -= branchpos; for (k = 1; k < locpos; k++) putc('-', outfile); if (Rarer[ChOrder[poslist[j - 1] - 1] - 1]) putc('1', outfile); else putc('0', outfile); sumlocpos += locpos; j++; } for (j = sumlocpos + 1; j <= n; j++) putc('-', outfile); if (m > 0) branchpos += m; } putc('-', outfile); } } else if (!p->tip && (long)last->ycoord > i && (long)first->ycoord < i && (i != (long)p->ycoord || p == root)) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); plus = false; if (m > 0) branchpos += m; } else { for (j = 1; j <= n; j++) putc(' ', outfile); plus = false; if (m > 0) branchpos += m; } if (q != p) p = q; } while (!done); if (p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); free(poslist); } /* clique_drawline */ void clique_printree(void) { /* prints out diagram of the tree */ long tipy, i; if (!treeprint) return; tipy = 1; clique_coordinates(root, &tipy, MaxChars); fprintf(outfile, "\n Tree and"); if (Factors) fprintf(outfile, " binary"); fprintf(outfile, " characters:\n\n"); fprintf(outfile, " "); for (i = 0; i < (MaxChars); i++) fprintf(outfile, "%3ld", ChOrder[i]); fprintf(outfile, "\n "); for (i = 0; i < (MaxChars); i++) { if (Rarer[ChOrder[i] - 1]) fprintf(outfile, "%3c", '1'); else fprintf(outfile, "%3c", '0'); } fprintf(outfile, "\n\n"); for (i = 1; i <= (tipy - down); i++) clique_drawline(i); fprintf(outfile, "\nremember: this is an unrooted tree!\n\n"); } /* clique_printree */ void DoAll(boolean *Chars_,boolean *Processed,boolean *Rarer_,long tcount) { /* print out a clique and its tree */ long i, j; ChPtr Count; aChars = (aPtr)Malloc((long)chars*sizeof(boolean)); SpOrder = (SpPtr)Malloc((long)spp*sizeof(long)); ChOrder = (ChPtr)Malloc((long)chars*sizeof(long)); Count = (ChPtr)Malloc((long)chars*sizeof(long)); memcpy(aChars, Chars_, chars*sizeof(boolean)); Rarer = Rarer_; Init(ChOrder, Count, &MaxChars, aChars); ChSort(ChOrder, Count, MaxChars); for (i = 1; i <= (spp); i++) SpOrder[i - 1] = i; for (i = 1; i <= (chars); i++) { if (aChars[ActChar[i - 1] - 1]) { if (!Processed[ActChar[i - 1] - 1]) { Rarer[i - 1] = Ingroupstate(i); Processed[ActChar[i - 1] - 1] = true; } } } PrintClique(aChars); grouping = (long **)Malloc((long)(spp + MaxChars)*sizeof(long *)); for (i = 0; i < spp + MaxChars; i++) { grouping[i] = (long *)Malloc(setsz*sizeof(long)); for (j = 0; j < setsz; j++) grouping[i][j] = 0; } makeset(); clique_setuptree(); reconstruct(n,MaxChars); if (noroot) reroot(treenode[outgrno - 1]); clique_printree(); if (trout) { col = 0; treeout(root, tcount+1, &col, root); } free(SpOrder); free(ChOrder); free(Count); for (i = 0; i < spp + MaxChars; i++) free(grouping[i]); free(grouping); } /* DoAll */ void Gen2(long i, long CurSize, boolean *aChars, boolean *Candidates, boolean *Excluded) { /* finds largest size cliques and prints them out */ long CurSize2, j, k, Actual, Possible; boolean Futile; vecrec *Chars2, *Cands2, *Excl2, *Cprime, *Exprime; clique_gnu(&Chars2); clique_gnu(&Cands2); clique_gnu(&Excl2); clique_gnu(&Cprime); clique_gnu(&Exprime); CurSize2 = CurSize; memcpy(Chars2->vec, aChars, chars*sizeof(boolean)); memcpy(Cands2->vec, Candidates, chars*sizeof(boolean)); memcpy(Excl2->vec, Excluded, chars*sizeof(boolean)); j = i; while (j <= ActualChars) { if (Cands2->vec[j - 1]) { Chars2->vec[j - 1] = true; Cands2->vec[j - 1] = false; CurSize2 += weight[j - 1]; Possible = CountStates(Cands2->vec); Intersect(Cands2->vec, Comp2[j - 1]->vec, Cprime->vec); Actual = CountStates(Cprime->vec); Intersect(Excl2->vec, Comp2[j - 1]->vec, Exprime->vec); Futile = false; for (k = 0; k <= j - 2; k++) { if (Exprime->vec[k] && !Futile) { Intersect(Cprime->vec, Comp2[k]->vec, Temp); Futile = (CountStates(Temp) == Actual); } } if (CurSize2 + Actual >= Cliqmin && !Futile) { if (Actual > 0) Gen2(j + 1,CurSize2,Chars2->vec,Cprime->vec,Exprime->vec); else DoAll(Chars2->vec,Processed,Rarer2,tcount); } if (Possible > Actual) { Chars2->vec[j - 1] = false; Excl2->vec[j - 1] = true; CurSize2 -= weight[j - 1]; } else j = ActualChars; } j++; } clique_chuck(Chars2); clique_chuck(Cands2); clique_chuck(Excl2); clique_chuck(Cprime); clique_chuck(Exprime); } /* Gen2 */ void GetMaxCliques(vecrec **Comp_) { /* recursively generates the largest cliques */ long i; aPtr aChars, Candidates, Excluded; Temp = (aPtr)Malloc((long)chars*sizeof(boolean)); Processed = (aPtr)Malloc((long)chars*sizeof(boolean)); Rarer2 = (aPtr)Malloc((long)chars*sizeof(boolean)); aChars = (aPtr)Malloc((long)chars*sizeof(boolean)); Candidates = (aPtr)Malloc((long)chars*sizeof(boolean)); Excluded = (aPtr)Malloc((long)chars*sizeof(boolean)); Comp2 = Comp_; putc('\n', outfile); if (Clmin) { fprintf(outfile, "Cliques with at least%3ld characters\n", Cliqmin); fprintf(outfile, "------- ---- -- ----- -- ----------\n"); } else { Cliqmin = 0; fprintf(outfile, "Largest Cliques\n"); fprintf(outfile, "------- -------\n"); for (i = 0; i < (ActualChars); i++) { aChars[i] = false; Excluded[i] = false; Candidates[i] = true; } tcount = 0; Gen1(1, 0, aChars, Candidates, Excluded); } for (i = 0; i < (ActualChars); i++) { aChars[i] = false; Candidates[i] = true; Processed[i] = false; Excluded[i] = false; } Gen2(1, 0, aChars, Candidates, Excluded); putc('\n', outfile); free(Temp); free(Processed); free(Rarer2); free(aChars); free(Candidates); free(Excluded); } /* GetMaxCliques */ int main(int argc, Char *argv[]) { /* Main Program */ #ifdef MAC argc = 1; /* macsetup("Clique","Clique"); */ argv[0] = "Clique"; #endif init(argc, argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; firstset = true; datasets = 1; doinit(); for (ith = 1; ith <= (datasets); ith++) { inputoptions(); clique_inputdata(); firstset = false; SetUp(Comp); if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } GetMaxCliques(Comp); if (progress) { printf("\nOutput written to file \"%s\"\n",outfilename); if (trout) printf("\nTree"); if (tcount > 1) printf("s"); printf(" written on file \"%s\"\n\n", outtreename); } } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif printf("Done.\n\n"); return 0; } ./arbsrc_9167/GDE/PHYLIP/cons.c0000644012664100000130000010114511213220011015632 0ustar arb_buildcoders#include "phylip.h" #include "cons.h" int tree_pairing; Char outfilename[FNMLNGTH], intreename[FNMLNGTH], intree2name[FNMLNGTH], outtreename[FNMLNGTH]; node *root; long numopts, outgrno, col, setsz; long maxgrp; /* max. no. of groups in all trees found */ boolean trout, firsttree, noroot, outgropt, didreroot, prntsets, progress, treeprint, goteof, strict, mr=false, mre=false, ml=false; /* initialized all false for Treedist */ pointarray nodep; pointarray treenode; group_type **grouping, **grping2, **group2;/* to store groups found */ long **order, **order2, lasti; group_type *fullset; node *grbg; long tipy; double **timesseen, **tmseen2, **times2 ; double trweight, ntrees, mlfrac; /* prototypes */ void censor(void); boolean compatible(long, long); void elimboth(long); void enternohash(group_type*, long*); void enterpartition (group_type*, long*); void initconsnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ long i; char c; boolean minusread; double valyew, divisor, fracchange; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; for (i=0; inayme[i] = '\0'; nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); (*p)->index = nodei; break; case tip: (*ntips)++; gnu(grbg, p); nodep[(*ntips) - 1] = *p; setupnode(*p, *ntips); (*p)->tip = true; strncpy ((*p)->nayme, str, MAXNCH); if (firsttree && prntsets) { fprintf(outfile, " %ld. ", *ntips); for (i = 0; i < len; i++) putc(str[i], outfile); putc('\n', outfile); if ((*ntips > 0) && (((*ntips) % 10) == 0)) putc('\n', outfile); } break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); fracchange = 1.0; (*p)->v = valyew / divisor / fracchange; break; case treewt: if (!eoln(intree)) { fscanf(intree, "%lf", &trweight); getch(ch, parens, intree); if (*ch != ']') { printf("\n\nERROR: Missing right square bracket\n\n"); exxit(-1); } else { getch(ch, parens, intree); if (*ch != ';') { printf("\n\nERROR: Missing semicolon after square brackets\n\n"); exxit(-1); } } } break; case unittrwt: /* This comes not only when seting trweight but also at the end of * any tree. The following code saves the current position in a * file and reads to a new line. If there is a new line then we're * at the end of tree, otherwise warn the user. This function should * really leave the file alone, so once we're done with 'intree' * we seek the position back so that it doesn't look like we did * anything */ trweight = 1.0 ; i = ftell (intree); c = ' '; while (c == ' ') { if (eoff(intree)) { fseek(intree,i,SEEK_SET); return; } c = gettc(intree); } fseek(intree,i,SEEK_SET); if ( c != '\n') printf("WARNING: Tree weight set to 1.0\n"); break; default: /* cases hslength, iter, hsnolength */ break; /* should there be an error message here?*/ } } /* initconsnode */ void censor(void) { /* delete groups that are too rare to be in the consensus tree */ long i; i = 1; do { if (timesseen[i-1]) if (!(mre || (mr && (2*(*timesseen[i-1]) > ntrees)) || (ml && ((*timesseen[i-1]) > mlfrac*ntrees)) || (strict && ((*timesseen[i-1]) == ntrees)))) { free(grouping[i - 1]); free(timesseen[i - 1]); grouping[i - 1] = NULL; timesseen[i - 1] = NULL; } i++; } while (i < maxgrp); } /* censor */ void compress(long *n) { /* push all the nonempty subsets to the front end of their array */ long i, j; i = 1; j = 1; do { while (grouping[i - 1] != NULL) i++; if (j <= i) j = i + 1; while ((grouping[j - 1] == NULL) && (j < maxgrp)) j++; if (j < maxgrp) { grouping[i - 1] = (group_type *)Malloc(setsz * sizeof(group_type)); timesseen[i - 1] = (double *)Malloc(sizeof(double)); memcpy(grouping[i - 1], grouping[j - 1], setsz * sizeof(group_type)); *timesseen[i - 1] = *timesseen[j - 1]; free(grouping[j - 1]); free(timesseen[j - 1]); grouping[j - 1] = NULL; timesseen[j - 1] = NULL; } } while (j != maxgrp); (*n) = i - 1; } /* compress */ void sort(long n) { /* Shell sort keeping grouping, timesseen in same order */ long gap, i, j; group_type *stemp; double rtemp; gap = n / 2; stemp = (group_type *)Malloc(setsz * sizeof(group_type)); while (gap > 0) { for (i = gap + 1; i <= n; i++) { j = i - gap; while (j > 0) { if (*timesseen[j - 1] < *timesseen[j + gap - 1]) { memcpy(stemp, grouping[j - 1], setsz * sizeof(group_type)); memcpy(grouping[j - 1], grouping[j + gap - 1], setsz * sizeof(group_type)); memcpy(grouping[j + gap - 1], stemp, setsz * sizeof(group_type)); rtemp = *timesseen[j - 1]; *timesseen[j - 1] = *timesseen[j + gap - 1]; *timesseen[j + gap - 1] = rtemp; } j -= gap; } } gap /= 2; } free(stemp); } /* sort */ boolean compatible(long i, long j) { /* are groups i and j compatible? */ boolean comp; long k; comp = true; for (k = 0; k < setsz; k++) if ((grouping[i][k] & grouping[j][k]) != 0) comp = false; if (!comp) { comp = true; for (k = 0; k < setsz; k++) if ((grouping[i][k] & ~grouping[j][k]) != 0) comp = false; if (!comp) { comp = true; for (k = 0; k < setsz; k++) if ((grouping[j][k] & ~grouping[i][k]) != 0) comp = false; if (!comp) { comp = noroot; if (comp) { for (k = 0; k < setsz; k++) if ((fullset[k] & ~grouping[i][k] & ~grouping[j][k]) != 0) comp = false; } } } } return comp; } /* compatible */ void eliminate(long *n, long *n2) { /* eliminate groups incompatible with preceding ones */ long i, j, k; boolean comp; for (i = 2; i <= (*n); i++) { comp = true; for (j = 0; comp && (j <= i - 2); j++) { if ((timesseen[j] != NULL) && *timesseen[j] > 0) { comp = compatible(i-1,j); if (!comp) { (*n2)++; times2[(*n2) - 1] = (double *)Malloc(sizeof(double)); group2[(*n2) - 1] = (group_type *)Malloc(setsz * sizeof(group_type)); *times2[(*n2) - 1] = *timesseen[i - 1]; memcpy(group2[(*n2) - 1], grouping[i - 1], setsz * sizeof(group_type)); *timesseen[i - 1] = 0.0; for (k = 0; k < setsz; k++) grouping[i - 1][k] = 0; } } } if (*timesseen[i - 1] == 0.0) { free(grouping[i - 1]); free(timesseen[i - 1]); timesseen[i - 1] = NULL; grouping[i - 1] = NULL; } } } /* eliminate */ void printset(long n) { /* print out the n sets of species */ long i, j, k, size; boolean noneprinted; fprintf(outfile, "\nSet (species in order) "); for (i = 1; i <= spp - 25; i++) putc(' ', outfile); fprintf(outfile, " How many times out of %7.2f\n\n", ntrees); noneprinted = true; for (i = 0; i < n; i++) { if ((timesseen[i] != NULL) && (*timesseen[i] > 0)) { size = 0; k = 0; for (j = 1; j <= spp; j++) { if (j == ((k+1)*SETBITS+1)) k++; if (((1L << (j - 1 - k*SETBITS)) & grouping[i][k]) != 0) size++; } if (size != 1 && !(noroot && size >= (spp-1))) { noneprinted = false; k = 0; for (j = 1; j <= spp; j++) { if (j == ((k+1)*SETBITS+1)) k++; if (((1L << (j - 1 - k*SETBITS)) & grouping[i][k]) != 0) putc('*', outfile); else putc('.', outfile); if (j % 10 == 0) putc(' ', outfile); } for (j = 1; j <= 23 - spp; j++) putc(' ', outfile); fprintf(outfile, " %5.2f\n", *timesseen[i]); } } } if (noneprinted) fprintf(outfile, " NONE\n"); } /* printset */ void bigsubset(group_type *st, long n) { /* Find a maximal subset of st among the n groupings, to be the set at the base of the tree. */ long i, j; group_type *su; boolean max, same; su = (group_type *)Malloc(setsz * sizeof(group_type)); for (i = 0; i < setsz; i++) su[i] = 0; for (i = 0; i < n; i++) { max = true; for (j = 0; j < setsz; j++) if ((grouping[i][j] & ~st[j]) != 0) max = false; if (max) { same = true; for (j = 0; j < setsz; j++) if (grouping[i][j] != st[j]) same = false; max = !same; } if (max) { for (j = 0; j < setsz; j ++) if ((su[j] & ~grouping[i][j]) != 0) max = false; if (max) { same = true; for (j = 0; j < setsz; j ++) if (su[j] != grouping[i][j]) same = false; max = !same; } if (max) memcpy(su, grouping[i], setsz * sizeof(group_type)); } } memcpy(st, su, setsz * sizeof(group_type)); free(su); } /* bigsubset */ void recontraverse(node **p, group_type *st, long n, long *nextnode) { /* traverse to add next node to consensus tree */ long i, j = 0, k = 0, l = 0; boolean found, same = 0, zero, zero2; group_type *tempset, *st2; node *q, *r; for (i = 1; i <= spp; i++) { /* count species in set */ if (i == ((l+1)*SETBITS+1)) l++; if (((1L << (i - 1 - l*SETBITS)) & st[l]) != 0) { k++; /* k is the number of species in the set */ j = i; /* j is set to last species in the set */ } } if (k == 1) { /* if only 1, set up that tip */ *p = nodep[j - 1]; (*p)->tip = true; (*p)->index = j; return; } gnu(&grbg, p); /* otherwise make interior node */ (*p)->tip = false; (*p)->index = *nextnode; nodep[*nextnode - 1] = *p; (*nextnode)++; (*p)->deltav = 0.0; for (i = 0; i < n; i++) { /* go through all sets */ same = true; /* to find one which is this one */ for (j = 0; j < setsz; j++) if (grouping[i][j] != st[j]) same = false; if (same) (*p)->deltav = *timesseen[i]; } tempset = (group_type *)Malloc(setsz * sizeof(group_type)); memcpy(tempset, st, setsz * sizeof(group_type)); q = *p; st2 = (group_type *)Malloc(setsz * sizeof(group_type)); memcpy(st2, st, setsz * sizeof(group_type)); zero = true; /* having made two copies of the set ... */ for (j = 0; j < setsz; j++) /* see if they are empty */ if (tempset[j] != 0) zero = false; if (!zero) bigsubset(tempset, n); /* find biggest set within it */ zero = zero2 = false; /* ... tempset is that subset */ while (!zero && !zero2) { zero = zero2 = true; for (j = 0; j < setsz; j++) { if (st2[j] != 0) zero = false; if (tempset[j] != 0) zero2 = false; } if (!zero && !zero2) { gnu(&grbg, &q->next); q->next->index = q->index; q = q->next; q->tip = false; r = *p; recontraverse(&q->back, tempset, n, nextnode); /* put it on tree */ *p = r; q->back->back = q; for (j = 0; j < setsz; j++) st2[j] &= ~tempset[j]; /* remove that subset from the set */ memcpy(tempset, st2, setsz * sizeof(group_type)); /* that becomes set */ found = false; i = 1; while (!found && i <= n) { if (grouping[i - 1] != 0) { same = true; for (j = 0; j < setsz; j++) if (grouping[i - 1][j] != tempset[j]) same = false; } if ((grouping[i - 1] != 0) && same) found = true; else i++; } zero = true; for (j = 0; j < setsz; j++) if (tempset[j] != 0) zero = false; if (!zero && !found) bigsubset(tempset, n); } } q->next = *p; free(tempset); free(st2); } /* recontraverse */ void reconstruct(long n) { /* reconstruct tree from the subsets */ long nextnode; group_type *s; nextnode = spp + 1; s = (group_type *)Malloc(setsz * sizeof(group_type)); memcpy(s, fullset, setsz * sizeof(group_type)); recontraverse(&root, s, n, &nextnode); free(s); } /* reconstruct */ void coordinates(node *p, long *tipy) { /* establishes coordinates of nodes */ node *q, *first, *last; long maxx; if (p->tip) { p->xcoord = 0; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; return; } q = p->next; maxx = 0; while (q != p) { coordinates(q->back, tipy); if (!q->back->tip) { if (q->back->xcoord > maxx) maxx = q->back->xcoord; } q = q->next; } first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = maxx + OVER; p->ycoord = (long)((first->ycoord + last->ycoord) / 2); p->ymin = first->ymin; p->ymax = last->ymax; } /* coordinates */ void drawline(long i) { /* draws one row of the tree diagram by moving up tree */ node *p, *q; long n, j; boolean extra, done, trif; node *r, *first = NULL, *last = NULL; boolean found; p = root; q = root; fprintf(outfile, " "); extra = false; trif = false; do { if (!p->tip) { found = false; r = p->next; while (r != p && !found) { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; found = true; } else r = r->next; } first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; } done = (p->tip || p == q); n = p->xcoord - q->xcoord; if (extra) { n--; extra = false; } if (q->ycoord == i && !done) { if (trif) putc('-', outfile); else putc('+', outfile); trif = false; if (!q->tip) { for (j = 1; j <= n - 7; j++) putc('-', outfile); if (noroot && (root->next->next->next == root) && (((root->next->back == q) && root->next->next->back->tip) || ((root->next->next->back == q) && root->next->back->tip))) fprintf(outfile, "------|"); else { if (!strict) { /* write number of times seen */ if (q->deltav >= 100) fprintf(outfile, "%5.1f-|", (double)q->deltav); else if (q->deltav >= 10) fprintf(outfile, "-%4.1f-|", (double)q->deltav); else fprintf(outfile, "--%3.1f-|", (double)q->deltav); } else fprintf(outfile, "------|"); } extra = true; trif = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip && last->ycoord > i && first->ycoord < i && (i != p->ycoord || p == root)) { putc('|', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); if (trif) trif = false; } if (q != p) p = q; } while (!done); if (p->ycoord == i && p->tip) { for (j = 0; (j < MAXNCH) && (p->nayme[j] != '\0'); j++) putc(p->nayme[j], outfile); } putc('\n', outfile); } /* drawline */ void printree() { /* prints out diagram of the tree */ long i; long tipy; if (treeprint) { fprintf(outfile, "\nCONSENSUS TREE:\n"); if (mr || mre || ml) { if (noroot) { fprintf(outfile, "the numbers on the branches indicate the number\n"); fprintf(outfile, "of times the partition of the species into the two sets\n"); fprintf(outfile, "which are separated by that branch occurred\n"); } else { fprintf(outfile, "the numbers forks indicate the number\n"); fprintf(outfile, "of times the group consisting of the species\n"); fprintf(outfile, "which are to the right of that fork occurred\n"); } fprintf(outfile, "among the trees, out of %6.2f trees\n", ntrees); if (ntrees <= 1.001) fprintf(outfile, "(trees had fractional weights)\n"); } tipy = 1; coordinates(root, &tipy); putc('\n', outfile); for (i = 1; i <= tipy - down; i++) drawline(i); putc('\n', outfile); } if (noroot) { fprintf(outfile, "\n remember:"); if (didreroot) fprintf(outfile, " (though rerooted by outgroup)"); fprintf(outfile, " this is an unrooted tree!\n"); } putc('\n', outfile); } /* printree */ void enternohash(group_type *s, long *n) { /* if set s is already there, enter it into groupings in the next slot (without hash-coding). n is number of sets stored there and is updated */ long i, j; boolean found; found = false; for (i = 0; i < (*n); i++) { /* go through looking whether it is there */ found = true; for (j = 0; j < setsz; j++) { /* check both parts of partition */ found = found && (grouping[i][j] == s[j]); found = found && (group2[i][j] == (fullset[j] & (~s[j]))); } if (found) break; } if (!found) { /* if not, add it to the slot after the end, which must be empty */ grouping[i] = (group_type *)Malloc(setsz * sizeof(group_type)); timesseen[i] = (double *)Malloc(sizeof(double)); group2[i] = (group_type *)Malloc(setsz * sizeof(group_type)); for (j = 0; j < setsz; j++) grouping[i][j] = s[j]; *timesseen[i] = 1; (*n)++; } } /* enternohash */ void enterpartition (group_type *s1, long *n) { /* try to put this partition in list of partitions. If implied by others, don't bother. If others implied by it, replace them. If this one vacuous because only one element in s1, forget it */ long i, j; boolean found; /* this stuff all to be rewritten but left here so pieces can be used */ found = false; for (i = 0; i < (*n); i++) { /* go through looking whether it is there */ found = true; for (j = 0; j < setsz; j++) { /* check both parts of partition */ found = found && (grouping[i][j] == s1[j]); found = found && (group2[i][j] == (fullset[j] & (~s1[j]))); } if (found) break; } if (!found) { /* if not, add it to the slot after the end, which must be empty */ grouping[i] = (group_type *)Malloc(setsz * sizeof(group_type)); timesseen[i] = (double *)Malloc(sizeof(double)); group2[i] = (group_type *)Malloc(setsz * sizeof(group_type)); for (j = 0; j < setsz; j++) grouping[i][j] = s1[j]; *timesseen[i] = 1; (*n)++; } } /* enterpartition */ void elimboth(long n) { /* for Adams case: eliminate pairs of groups incompatible with each other */ long i, j; boolean comp; for (i = 0; i < n-1; i++) { for (j = i+1; j < n; j++) { comp = compatible(i,j); if (!comp) { *timesseen[i] = 0.0; *timesseen[j] = 0.0; } } if (*timesseen[i] == 0.0) { free(grouping[i]); free(timesseen[i]); timesseen[i] = NULL; grouping[i] = NULL; } } if (*timesseen[n-1] == 0.0) { free(grouping[n-1]); free(timesseen[n-1]); timesseen[n-1] = NULL; grouping[n-1] = NULL; } } /* elimboth */ void consensus(pattern_elm ***pattern_array, long trees_in) { long i, n, n2, tipy; group2 = (group_type **) Malloc(maxgrp*sizeof(group_type *)); for (i = 0; i < maxgrp; i++) group2[i] = NULL; times2 = (double **)Malloc(maxgrp*sizeof(double *)); for (i = 0; i < maxgrp; i++) times2[i] = NULL; n2 = 0; censor(); /* drop groups that are too rare */ compress(&n); /* push everybody to front of array */ if (!strict) { /* drop those incompatible, if any */ sort(n); eliminate(&n, &n2); compress(&n); } reconstruct(n); tipy = 1; coordinates(root, &tipy); if (prntsets) { fprintf(outfile, "\nSets included in the consensus tree\n"); printset(n); for (i = 0; i < n2; i++) { if (!grouping[i]) { grouping[i] = (group_type *)Malloc(setsz * sizeof(group_type)); timesseen[i] = (double *)Malloc(sizeof(double)); } memcpy(grouping[i], group2[i], setsz * sizeof(group_type)); *timesseen[i] = *times2[i]; } n = n2; fprintf(outfile, "\n\nSets NOT included in consensus tree:"); if (n2 == 0) fprintf(outfile, " NONE\n"); else { putc('\n', outfile); printset(n); } } putc('\n', outfile); if (strict) fprintf(outfile, "\nStrict consensus tree\n"); if (mre) fprintf(outfile, "\nExtended majority rule consensus tree\n"); if (ml) { fprintf(outfile, "\nM consensus tree (l = %4.2f)\n", mlfrac); fprintf(outfile, " l\n"); } if (mr) fprintf(outfile, "\nMajority rule consensus tree\n"); printree(); free(nayme); for (i = 0; i < maxgrp; i++) free(grouping[i]); free(grouping); for (i = 0; i < maxgrp; i++) free(order[i]); free(order); for (i = 0; i < maxgrp; i++) if (timesseen[i] != NULL) free(timesseen[i]); free(timesseen); } /* consensus */ void rehash() { group_type *s; long i, j, k; double temp, ss, smult; boolean done; smult = (sqrt(5.0) - 1) / 2; s = (group_type *)Malloc(setsz * sizeof(group_type)); for (i = 0; i < maxgrp/2; i++) { k = *order[i]; memcpy(s, grouping[k], setsz * sizeof(group_type)); ss = 0.0; for (j = 0; j < setsz; j++) ss += s[j] /* pow(2, SETBITS*j)*/; temp = ss * smult; j = (long)(maxgrp * (temp - floor(temp))); done = false; while (!done) { if (!grping2[j]) { grping2[j] = (group_type *)Malloc(setsz * sizeof(group_type)); order2[i] = (long *)Malloc(sizeof(long)); tmseen2[j] = (double *)Malloc(sizeof(double)); memcpy(grping2[j], grouping[k], setsz * sizeof(group_type)); *tmseen2[j] = *timesseen[k]; *order2[i] = j; grouping[k] = NULL; timesseen[k] = NULL; order[i] = NULL; done = true; } else { j++; if (j >= maxgrp) j -= maxgrp; } } } free(s); } /* rehash */ void enternodeset(node *r) { /* enter a the set of species from a node into the hash table */ group_type *s; s = (group_type *)Malloc(setsz * sizeof(group_type)); memcpy(s, r->nodeset, setsz * sizeof(group_type)); enterset(s); free(s); } /* enternodeset */ void enterset(group_type *s) { /* enter a set of species into the hash table */ long i, j, start; double ss, n; boolean done, same; double times ; same = true; for (i = 0; i < setsz; i++) if (s[i] != fullset[i]) same = false; if (same) return; times = trweight; ss = 0.0; /* compute the hashcode for the set */ n = ((sqrt(5.0) - 1.0) / 2.0); /* use an irrational multiplier */ for (i = 0; i < setsz; i++) ss += s[i] * n; i = (long)(maxgrp * (ss - floor(ss))) + 1; /* use fractional part of code */ start = i; done = false; /* go through seeing if it is there */ while (!done) { if (grouping[i - 1]) { /* ... i.e. if group is absent, or */ same = false; /* (will be false if timesseen = 0) */ if (!(timesseen[i-1] == 0)) { /* ... if timesseen = 0 */ same = true; for (j = 0; j < setsz; j++) { if (s[j] != grouping[i - 1][j]) same = false; } } } if (grouping[i - 1] && same) { /* if it is there, increment timesseen */ *timesseen[i - 1] += times; done = true; } else if (!grouping[i - 1]) { /* if not there and slot empty ... */ grouping[i - 1] = (group_type *)Malloc(setsz * sizeof(group_type)); lasti++; order[lasti] = (long *)Malloc(sizeof(long)); timesseen[i - 1] = (double *)Malloc(sizeof(double)); memcpy(grouping[i - 1], s, setsz * sizeof(group_type)); *timesseen[i - 1] = times; *order[lasti] = i - 1; done = true; } else { /* otherwise look to put it in next slot ... */ i++; if (i > maxgrp) i -= maxgrp; } if (!done && i == start) { /* if no place to put it, expand hash table */ maxgrp = maxgrp*2; tmseen2 = (double **)Malloc(maxgrp*sizeof(double *)); for (j = 0; j < maxgrp; j++) tmseen2[j] = NULL; grping2 = (group_type **)Malloc(maxgrp*sizeof(group_type *)); for (j = 0; j < maxgrp; j++) grping2[j] = NULL; order2 = (long **)Malloc(maxgrp*sizeof(long *)); for (j = 0; j < maxgrp; j++) order2[j] = NULL; rehash(); free(timesseen); free(grouping); free(order); timesseen = tmseen2; grouping = grping2; order = order2; done = true; lasti = maxgrp/2 - 1; enterset(s); } } } /* enterset */ void accumulate(node *r_) { node *r; node *q; long i; r = r_; if (r->tip) { if (!r->nodeset) r->nodeset = (group_type *)Malloc(setsz * sizeof(group_type)); for (i = 0; i < setsz; i++) r->nodeset[i] = 0L; i = (r->index-1) / (long)SETBITS; r->nodeset[i] = 1L << (r->index - 1 - i*SETBITS); } else { q = r->next; while (q != r) { accumulate(q->back); q = q->next; } q = r->next; if (!r->nodeset) r->nodeset = (group_type *)Malloc(setsz * sizeof(group_type)); for (i = 0; i < setsz; i++) r->nodeset[i] = 0; while (q != r) { for (i = 0; i < setsz; i++) r->nodeset[i] |= q->back->nodeset[i]; q = q->next; } } if ((!r->tip && (r->next->next != r)) || r->tip) enternodeset(r); } /* accumulate */ void dupname2(Char *name, node *p, node *this) { /* search for a duplicate name recursively */ node *q; if (p->tip) { if (p != this) { if (strcmp(name,p->nayme) == 0) { printf("\n\nERROR in user tree: duplicate name found: "); puts(p->nayme); printf("\n\n"); exxit(-1); } } } else { q = p; while (p->next != q) { dupname2(name, p->next->back, this); p = p->next; } } } /* dupname2 */ void dupname(node *p) { /* search for a duplicate name in tree */ node *q; if (p->tip) dupname2(p->nayme, root, p); else { q = p; while (p->next != q) { dupname(p->next->back); p = p->next; } } } /* dupname */ void gdispose(node *p) { /* go through tree throwing away nodes */ node *q, *r; if (p->tip) { chuck(&grbg, p); return; } q = p->next; while (q != p) { gdispose(q->back); r = q; q = q->next; chuck(&grbg, r); } chuck(&grbg, q); } /* gdispose */ void initreenode(node *p) { /* traverse tree and assign species names to tip nodes */ node *q; if (p->tip) { memcpy(nayme[p->index - 1], p->nayme, MAXNCH); } else { q = p->next; while (q && q != p) { initreenode(q->back); q = q->next; } } } /* initreenode */ void reroot(node *outgroup, long *nextnode) { /* reorients tree, putting outgroup in desired position. */ long i; boolean nroot; node *p, *q; nroot = false; p = root->next; while (p != root) { if ((outgroup->back == p) && (root->next->next->next == root)) { nroot = true; p = root; } else p = p->next; } if (nroot) return; p = root; i = 0; while (p->next != root) { p = p->next; i++; } if (i == 2) { root->next->back->back = p->back; p->back->back = root->next->back; q = root->next; } else { p->next = root->next; nodep[root->index-1] = root->next; gnu(&grbg, &root->next); q = root->next; gnu(&grbg, &q->next); p = q->next; p->next = root; q->tip = false; p->tip = false; nodep[*nextnode] = root; (*nextnode)++; root->index = *nextnode; root->next->index = root->index; root->next->next->index = root->index; } q->back = outgroup; p->back = outgroup->back; outgroup->back->back = p; outgroup->back = q; } /* reroot */ void store_pattern (pattern_elm ***pattern_array, double *timesseen_changes, int trees_in_file) { /* put a tree's groups into a pattern array. Don't forget that when not Adams, grouping[] is not compressed. . . */ long i, total_groups=0, j=0, k; /* First, find out how many groups exist in the given tree. */ for (i = 0 ; i < maxgrp ; i++) if ((grouping[i] != NULL) && (*timesseen[i] > timesseen_changes[i])) /* If this is group exists and is present in the current tree, */ total_groups++ ; /* Then allocate a space to store the bit patterns. . . */ for (i = 0 ; i < setsz ; i++) { pattern_array[i][trees_in_file] = (pattern_elm *) Malloc(sizeof(pattern_elm)) ; pattern_array[i][trees_in_file]->apattern = (group_type *) Malloc (total_groups * sizeof (group_type)) ; pattern_array[i][trees_in_file]->patternsize = (long *)Malloc(sizeof(long)); } /* Then go through groupings again, and copy in each element appropriately. */ for (i = 0 ; i < maxgrp ; i++) if (grouping[i] != NULL) if (*timesseen[i] > timesseen_changes[i]) { for (k = 0 ; k < setsz ; k++) pattern_array[k][trees_in_file]->apattern[j] = grouping[i][k] ; j++ ; timesseen_changes[i] = *timesseen[i] ; } *pattern_array[0][trees_in_file]->patternsize = total_groups; } /* store_pattern */ boolean samename(naym name1, plotstring name2) { return !(strncmp(name1, name2, MAXNCH)); } /* samename */ void reordertips() { /* matchs tip nodes to species names first read in */ long i, j; boolean done; node *p, *q, *r; for (i = 0; i < spp; i++) { j = 0; done = false; do { if (samename(nayme[i], nodep[j]->nayme)) { done = true; if (i != j) { p = nodep[i]; q = nodep[j]; r = p->back; p->back->back = q; q->back->back = p; p->back = q->back; q->back = r; memcpy(q->nayme, p->nayme, MAXNCH); memcpy(p->nayme, nayme[i], MAXNCH); } } j++; } while (j < spp && !done); } } /* reordertips */ void read_groups (pattern_elm ****pattern_array,double *timesseen_changes, long *trees_in_1, FILE *intree) { /* read the trees. Accumulate sets. */ int i, j, k; boolean haslengths, initial; long nextnode; /* set up the groupings array and the timesseen array */ grouping = (group_type **) Malloc(maxgrp*sizeof(group_type *)); for (i = 0; i < maxgrp; i++) grouping[i] = NULL; order = (long **) Malloc(maxgrp*sizeof(long *)); for (i = 0; i < maxgrp; i++) order[i] = NULL; timesseen = (double **)Malloc(maxgrp*sizeof(double *)); for (i = 0; i < maxgrp; i++) timesseen[i] = NULL; firsttree = true; grbg = NULL; initial = true; while (!eoff(intree)) { /* go till end of input tree file */ goteof = false; nextnode = 0; haslengths = false; allocate_nodep(&nodep, &intree, &spp); if (firsttree) nayme = (naym *)Malloc(spp*sizeof(naym)); treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initconsnode); if (!initial) { reordertips(); } else { initial = false; dupname(root); initreenode(root); setsz = (long)ceil((double)spp/(double)SETBITS); if (tree_pairing != NO_PAIRING) { /* Now that we know setsz, we can malloc pattern_array and pattern_array[n] accordingly. */ (*pattern_array) = (pattern_elm ***)Malloc(setsz * sizeof(pattern_elm **)); /* For this assignment, let's assume that there will be no more than maxtrees. */ for (j = 0 ; j < setsz ; j++) (*pattern_array)[j] = (pattern_elm **)Malloc(maxtrees * sizeof(pattern_elm *)) ; } fullset = (group_type *)Malloc(setsz * sizeof(group_type)); for (j = 0; j < setsz; j++) fullset[j] = 0L; k = 0; for (j = 1; j <= spp; j++) { if (j == ((k+1)*SETBITS+1)) k++; fullset[k] |= 1L << (j - k*SETBITS - 1); } } if (goteof) continue; ntrees += trweight; if (noroot) { reroot(nodep[outgrno - 1], &nextnode); didreroot = outgropt; } accumulate(root); gdispose(root); for (j = 0; j < 2*(1+spp); j++) nodep[j] = NULL; free(nodep); /* Added by Dan F. */ if (tree_pairing != NO_PAIRING) { /* If we're computing pairing or need separate tree sets, store the current pattern as an element of it's trees array. */ store_pattern ((*pattern_array), timesseen_changes, (*trees_in_1)) ; (*trees_in_1)++ ; } } } /* read_groups */ ./arbsrc_9167/GDE/PHYLIP/consense.c0000644012664100000130000002363411213220011016513 0ustar arb_buildcoders#include "phylip.h" #include "cons.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Hisashi Horino, Akiko Fuseki, Dan Fineman, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* The following extern's refer to things declared in cons.c */ extern int tree_pairing; extern Char outfilename[FNMLNGTH], intreename[FNMLNGTH], intree2name[FNMLNGTH], outtreename[FNMLNGTH]; extern node *root; extern long numopts, outgrno, col, setsz; extern long maxgrp; /* max. no. of groups in all trees found */ extern boolean trout, firsttree, noroot, outgropt, didreroot, prntsets, progress, treeprint, goteof, strict, mr, mre, ml; extern pointarray nodep; /* pointers to all nodes in tree */ extern group_type **grouping, **grping2, **group2;/* to store groups found */ extern long **order, **order2, lasti; extern group_type *fullset; extern long tipy; extern double trweight, ntrees, mlfrac; #ifndef OLDC /* function prototypes */ void getoptions(void); void count_siblings(node **p); void treeout(node *); /* function prototypes */ #endif void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch; boolean done, done1; /* Initial settings */ ibmpc = IBMCRT; ansi = ANSICRT; didreroot = false; firsttree = true; spp = 0 ; col = 0 ; /* This is needed so functions in cons.c work */ tree_pairing = NO_PAIRING ; fprintf(outfile, "\nConsensus tree"); fprintf(outfile, " program, version %s\n\n", VERSION); putchar('\n'); strict = false; mr = false; mre = true; ml = false; mlfrac = 0.5; noroot = true; numopts = 0; outgrno = 1; outgropt = false; trout = true; prntsets = true; progress = true; treeprint = true; loopcount = 0; do { cleerhome(); printf("\nConsensus tree"); printf(" program, version %s\n\n", VERSION); printf("Settings for this run:\n"); printf(" C Consensus type (MRe, strict, MR, Ml):"); /* printf(" C Consensus type (MRe, strict, Adams, MR, Ml):"); debug */ if (strict) printf(" strict\n"); else if (mr) printf(" Majority rule\n"); else if (mre) printf(" Majority rule (extended)\n"); else if (ml) printf(" Ml\n"); else printf(" Adams\n"); if (noroot) { printf(" O Outgroup root:"); if (outgropt) printf(" Yes, at species number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); } printf(" R Trees to be treated as Rooted:"); if (noroot) printf(" No\n"); else printf(" Yes\n"); printf(" T Terminal type (IBM PC, ANSI, none):"); if (ibmpc) printf(" IBM PC\n"); if (ansi) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" 1 Print out the sets of species:"); if (prntsets) printf(" Yes\n"); else printf(" No\n"); printf(" 2 Print indications of progress of run: %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree:"); if (treeprint) printf(" Yes\n"); else printf(" No\n"); printf(" 4 Write out trees onto tree file:"); if (trout) printf(" Yes\n"); else printf(" No\n"); printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if ((noroot && (ch == 'O')) || strchr("CRT1234",ch) != NULL) { switch (ch) { case 'C': if (strict) { strict = false; mr = true; } else { if (ml) { ml = false; mre = true; } else { if (mre) { mre = false; strict = true; } else { if (mr) { mr = false; ml = true; } } } } break; case 'O': outgropt = !outgropt; if (outgropt) { numopts++; loopcount2 = 0; do { printf("Type number of the outgroup:\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &outgrno); getchar(); done1 = (outgrno >= 1); if (!done1) { printf("ERROR: Bad outgroup number: %ld\n", outgrno); printf(" Must be greater than zero\n"); } countup(&loopcount2, 10); } while (done1 != true); } break; case 'R': noroot = !noroot; break; case 'T': initterminal(&ibmpc, &ansi); break; case '1': prntsets = !prntsets; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); if (ml) { do { printf("\nFraction (l) of times a branch must appear\n"); scanf("%lf%*[^\n]", &mlfrac); getchar(); } while ((mlfrac < 0.5) || (mlfrac > 1.0)); } } /* getoptions */ void count_siblings(node **p) { node *tmp_node; int i; if (!(*p)) { /* This is a leaf, */ return; } else { tmp_node = (*p)->next; } for (i = 0 ; i < 1000; i++) { if (tmp_node == (*p)) { /* When we've gone through all the siblings, */ break; } else if (tmp_node) { tmp_node = tmp_node->next; } else { /* Should this be executed? */ return ; } } } /* count_siblings */ void treeout(node *p) { /* write out file with representation of final tree */ long i, n = 0; Char c; node *q; double x; count_siblings (&p); if (p->tip) { /* If we're at a node which is a leaf, figure out how long the name is and print it out. */ for (i = 1; i <= MAXNCH; i++) { if (p->nayme[i - 1] != '\0') n = i; } for (i = 0; i < n; i++) { c = p->nayme[i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { /* If we're at a furcation, print out the proper formatting, loop through all the children, calling the procedure recursively. */ putc('(', outtree); col++; q = p->next; while (q != p) { /* This should terminate when we've gone through all the siblings, */ treeout(q->back); q = q->next; if (q == p) break; putc(',', outtree); col++; if (col > 60) { putc('\n', outtree); col = 0; } } putc(')', outtree); col++; } if (p->tip) x = ntrees; else x = (double)p->deltav; if (p == root) { /* When we're all done with this tree, */ fprintf(outtree, ";\n"); return; } /* Figure out how many characters the branch length requires: */ else { if (!strict) { if (x >= 100.0) { fprintf(outtree, ":%5.1f", x); col += 4; } else if (x >= 10.0) { fprintf(outtree, ":%4.1f", x); col += 3; } else if (x >= 0.99) { fprintf(outtree, ":%3.1f", x); col += 2; } else { fprintf(outtree, ":%4.2f", x); col += 3; } } } } /* treeout */ int main(int argc, Char *argv[]) { /* Local variables added by Dan F. */ pattern_elm ***pattern_array; double *timesseen_changes = NULL; long trees_in = 0; long i, j; node *p, *q; #ifdef MAC argc = 1; /* macsetup("Consense", ""); */ argv[0] = "Consense"; #endif init(argc, argv); openfile(&intree, INTREE, "input tree file", "r", argv[0], intreename); openfile(&outfile, OUTFILE, "output file", "w", argv[0], outfilename); /* Initialize option-based variables, then ask for changes regarding their values. */ getoptions(); ntrees = 0.0; maxgrp = 32767; /* initial size of set hash table */ lasti = -1; if (trout) openfile(&outtree, OUTTREE, "output tree file", "w", argv[0], outtreename); if (prntsets) fprintf(outfile, "Species in order: \n\n"); /* Read the tree file and put together grouping, order, and timesseen */ read_groups (&pattern_array, timesseen_changes, &trees_in, intree); /* Compute the consensus tree. */ putc('\n', outfile); nodep = (pointarray)Malloc(2*(1+spp)*sizeof(node *)); for (i = 0; i < spp; i++) { nodep[i] = (node *)Malloc(sizeof(node)); for (j = 0; j < MAXNCH; j++) nodep[i]->nayme[j] = '\0'; strncpy(nodep[i]->nayme, nayme[i], MAXNCH); } for (i = spp; i < 2*(1+spp); i++) nodep[i] = NULL; consensus(pattern_array, trees_in); printf("\n"); if (trout) { treeout(root); if (progress) printf("Consensus tree written to file \"%s\"\n\n", outtreename); } if (progress) printf("Output written to file \"%s\"\n\n", outfilename); for (i = 0; i < spp; i++) free(nodep[i]); for (i = spp; i < 2*(1 + spp); i++) { if (nodep[i] != NULL) { p = nodep[i]->next; do { q = p->next; free(p); p = q; } while (p != nodep[i]); free(p); } } free(nodep); FClose(outtree); FClose(intree); FClose(outfile); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* main */ ./arbsrc_9167/GDE/PHYLIP/cons.h0000644012664100000130000000276111213220011015643 0ustar arb_buildcoders #define OVER 7 #define ADJACENT_PAIRS 1 #define CORR_IN_1_AND_2 2 #define ALL_IN_1_AND_2 3 #define NO_PAIRING 4 #define ALL_IN_FIRST 5 #define TREE1 8 #define TREE2 9 #define FULL_MATRIX 11 #define VERBOSE 22 #define SPARSE 33 #define maxtrees 1000 /* Number of columns per block in a matrix output */ #define COLUMNS_PER_BLOCK 10 typedef struct pattern_elm { group_type *apattern; long *patternsize; } pattern_elm; #ifndef OLDC /* function prototypes */ void initconsnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void compress(long *); void sort(long); void eliminate(long *, long *); void printset(long); void bigsubset(group_type *, long); void recontraverse(node **, group_type *, long, long *); void reconstruct(long); void coordinates(node *, long *); void drawline(long i); void printree(void); void consensus(pattern_elm ***, long); void rehash(void); void enternodeset(node *); void enterset(group_type *); void accumulate(node *); void dupname2(Char *, node *, node *); void dupname(node *); void gdispose(node *); void initreenode(node *); void reroot(node *, long *); void store_pattern (pattern_elm ***, double *, int); boolean samename(naym, plotstring); void reordertips(void); void read_groups (pattern_elm ****, double *, long *, FILE *); /* function prototypes */ #endif ./arbsrc_9167/GDE/PHYLIP/cont.c0000644012664100000130000001425511213220011015640 0ustar arb_buildcoders#include "phylip.h" #include "cont.h" /* version 3.6. (c) Copyright 1999-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ void alloctree(pointarray *treenode, long nonodes) { /* allocate treenode dynamically */ /* used in contml & contrast */ long i, j; node *p, *q; *treenode = (pointarray)Malloc(nonodes*sizeof(node *)); for (i = 0; i < spp; i++) (*treenode)[i] = (node *)Malloc(sizeof(node)); for (i = spp; i < nonodes; i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node *)Malloc(sizeof(node)); p->next = q; q = p; } p->next->next->next = p; (*treenode)[i] = p; } } /* alloctree */ void setuptree(tree *a, long nonodes) { /* initialize a tree */ /* used in contml & contrast */ long i, j; node *p; for (i = 1; i <= spp; i++) { a->nodep[i - 1]->back = NULL; a->nodep[i - 1]->tip = (i <= spp); a->nodep[i - 1]->iter = true; a->nodep[i - 1]->index = i; } for (i = spp + 1; i <= nonodes; i++) { p = a->nodep[i - 1]; for (j = 1; j <= 3; j++) { p->back = NULL; p->tip = false; p->iter = true; p->index = i; p = p->next; } } a->likelihood = -99999.0; a->start = a->nodep[0]; } /* setuptree */ void allocview(tree *a, long nonodes, long totalleles) { /* allocate view */ /* used in contml */ long i, j; node *p; for (i = 0; i < spp; i++) a->nodep[i]->view = (phenotype3)Malloc(totalleles*sizeof(double)); for (i = spp; i < nonodes; i++) { p = a->nodep[i]; for (j = 1; j <= 3; j++) { p->view = (phenotype3)Malloc(totalleles*sizeof(double)); p = p->next; } } } /* allocview */ void freeview(tree *a, long nonodes) { /* deallocate view */ /* used in contml */ long i, j; node *p; for (i = 0; i < spp; i++) free(a->nodep[i]->view); for (i = spp; i < nonodes; i++) { p = a->nodep[i]; for (j = 1; j <= 3; j++) { free(p->view); p = p->next; } } } /* freeview */ void standev2(long numtrees, long maxwhich, long a, long b, double maxlogl, double *l0gl, double **l0gf, longer seed) { /* compute and write standard deviation of user trees */ /* used in contml */ double **covar, *P, *f; long i, j, k; double sumw, sum, sum2, sd; double temp; #define SAMPLES 1000 #define MAXSHIMOTREES 1000 /* ????? if numtrees too big for Shimo, truncate */ if (numtrees == 2) { fprintf(outfile, "Kishino-Hasegawa-Templeton test\n\n"); fprintf(outfile, "Tree logL Diff logL Its S.D."); fprintf(outfile, " Significantly worse?\n\n"); i = 1; while (i <= numtrees) { fprintf(outfile, "%3ld%10.1f", i, l0gl[i - 1]); if (maxwhich == i) fprintf(outfile, " <------ best\n"); else { sumw = 0.0; sum = 0.0; sum2 = 0.0; for (j = a; j <= b; j++) { sumw += 1; temp = l0gf[i - 1][j] - l0gf[maxwhich - 1][j]; sum += temp; sum2 += temp * temp; } temp = sum / sumw; sd = sqrt(sumw / (sumw - 1.0) * (sum2 - temp * temp)); fprintf(outfile, "%10.1f%12.4f", (l0gl[i - 1])-maxlogl, sd); if (sum > 1.95996 * sd) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } i++; } fprintf(outfile, "\n\n"); } else { /* Shimodaira-Hasegawa test using normal approximation */ fprintf(outfile, "Shimodaira-Hasegawa test\n\n"); covar = (double **)Malloc(numtrees*sizeof(double *)); sumw = b-a+1; for (i = 0; i < numtrees; i++) covar[i] = (double *)Malloc(numtrees*sizeof(double)); for (i = 0; i < numtrees; i++) { /* compute covariances of trees */ sum = l0gl[i]/sumw; for (j = 0; j <=i; j++) { sum2 = l0gl[j]/sumw; temp = 0.0; for (k = a; k <= b ; k++) { temp = temp + (l0gf[i][k]-sum)*(l0gf[j][k]-sum2); } covar[i][j] = temp; if (i != j) covar[j][i] = temp; } } for (i = 0; i < numtrees; i++) { /* in-place Cholesky decomposition of trees x trees covariance matrix */ sum = 0.0; for (j = 0; j <= i-1; j++) sum = sum + covar[i][j] * covar[i][j]; temp = sqrt(covar[i][i] - sum); covar[i][i] = temp; for (j = i+1; j < numtrees; j++) { sum = 0.0; for (k = 0; k < i; k++) sum = sum + covar[i][k] * covar[j][k]; if (fabs(temp) < 1.0E-12) covar[j][i] = 0.0; else covar[j][i] = (covar[j][i] - sum)/temp; } } f = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ P = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ for (i = 0; i < numtrees; i++) P[i] = 0.0; for (i = 1; i < SAMPLES; i++) { /* loop over resampled trees */ for (j = 0; j < numtrees; j++) { /* draw vectors */ sum = 0.0; for (k = 0; k <= j; k++) sum += normrand(seed)*covar[j][k]; f[j] = sum; } sum = f[1]; for (j = 1; j < numtrees; j++) /* get max of vector */ if (f[j] > sum) sum = f[j]; for (j = 0; j < numtrees; j++) /* accumulate P's */ if (maxlogl-l0gl[j] < sum-f[j]) P[j] += 1.0/SAMPLES; } fprintf(outfile, "Tree logL Diff logL P value"); fprintf(outfile, " Significantly worse?\n\n"); for (i = 0; i < numtrees; i++) { fprintf(outfile, "%3ld%10.1f", i+1, l0gl[i]); if ((maxwhich-1) == i) fprintf(outfile, " <------ best\n"); else { fprintf(outfile, " %9.1f %10.3f", l0gl[i]-maxlogl, P[i]); if (P[i] < 0.05) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } } fprintf(outfile, "\n"); free(P); /* free the variables we Malloc'ed */ free(f); for (i = 0; i < numtrees; i++) free(covar[i]); free(covar); } } /* standev */ ./arbsrc_9167/GDE/PHYLIP/cont.h0000644012664100000130000000116511213220011015641 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* cont.h: included in contml & contrast */ #ifndef OLDC /*function prototypes*/ void alloctree(pointarray *, long); void setuptree(tree *, long); void allocview(tree *, long, long); void freeview(tree *, long); void standev2(long, long, long, long, double, double *, double **, longer); /*function prototypes*/ #endif ./arbsrc_9167/GDE/PHYLIP/contml.c0000644012664100000130000010042211213220011016161 0ustar arb_buildcoders#include "phylip.h" #include "cont.h" /* version 3.6. (c) Copyright 1993-2001 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define epsilon1 0.000001 /* small number */ #define epsilon2 0.02 /* not such a small number */ #define smoothings 4 /* number of passes through smoothing algorithm */ #define maxtrees 10 /* maximum number of user trees in KHT test */ #define over 60 #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void getalleles(void); void inputdata(void); void getinput(void); void sumlikely(node *, node *, double *); double evaluate(tree *); double distance(node *, node *); void makedists(node *); void makebigv(node *, boolean *); void correctv(node *); void littlev(node *); void nuview(node *); void update(node *); void smooth(node *); void insert_(node *, node *); void copynode(node *, node *); void copy_(tree *, tree *); void inittip(long, tree *); void buildnewtip(long, tree *, long); void buildsimpletree(tree *); void addtraverse(node *, node *, boolean); void re_move(node **, node **); void rearrange(node *); void coordinates(node *, double, long *, double *); void drawline(long, double); void printree(void); void treeout(node *); void describe(node *, double, double); void summarize(void); void nodeinit(node *); void initrav(node *); void treevaluate(void); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH]; long nonodes2, loci, totalleles, df, outgrno, col, datasets, ith, njumble, jumb=0; long inseed; long *alleles, *locus, *weight; phenotype3 *x; boolean all, contchars, global, jumble, lengths, outgropt, trout, usertree, printdata, progress, treeprint, mulsets, firstset; longer seed; long *enterorder; tree curtree, priortree, bestree, bestree2; long nextsp,numtrees,which,maxwhich; /* From maketree, propogated to global */ boolean succeeded; double maxlogl; double l0gl[maxtrees]; double *l0gf[maxtrees]; Char ch; char *progname; double trweight; /* added to make treeread happy */ boolean goteof; boolean haslengths; /* end of ones added to make treeread happy */ void getoptions() { /* interactively set options */ long inseed0, loopcount; Char ch; boolean done; fprintf(outfile, "\nContinuous character Maximum Likelihood"); fprintf(outfile, " method version %s\n\n",VERSION); putchar('\n'); global = false; jumble = false; njumble = 1; lengths = false; outgrno = 1; outgropt = false; all = false; contchars = false; trout = true; usertree = false; printdata = false; progress = true; treeprint = true; loopcount = 0; do { cleerhome(); printf("\nContinuous character Maximum Likelihood"); printf(" method version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input" : "Yes")); if (usertree) { printf(" L Use lengths from user trees?%s\n", (lengths ? " Yes" : " No")); } printf(" C Gene frequencies or continuous characters? %s\n", (contchars ? "Continuous characters" : "Gene frequencies")); if (!contchars) printf(" A Input file has all alleles at each locus? %s\n", (all ? "Yes" : "No, one allele missing at each")); printf(" O Outgroup root? %s %ld\n", (outgropt ? "Yes, at species number" : "No, use as outgroup species"),outgrno); if (!usertree) { printf(" G Global rearrangements? %s\n", (global ? "Yes" : "No")); printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (seed=%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if (strchr("JLOUGACM12340",ch) != NULL){ switch (ch) { case 'A': if (!contchars) all = !all; break; case 'C': contchars = !contchars; break; case 'G': global = !global; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lengths = !lengths; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); } /* getoptions */ void allocrest() { alleles = (long *)Malloc(loci*sizeof(long)); if (contchars) locus = (long *)Malloc(loci*sizeof(long)); x = (phenotype3 *)Malloc(spp*sizeof(phenotype3)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &loci, &nonodes2, 2); getoptions(); if (printdata) fprintf(outfile, "\n%4ld Populations, %4ld Loci\n", spp, loci); alloctree(&curtree.nodep, nonodes2); if (!usertree) { alloctree(&bestree.nodep, nonodes2); alloctree(&priortree.nodep, nonodes2); if (njumble > 1) { alloctree(&bestree2.nodep, nonodes2); } } allocrest(); } /* doinit */ void getalleles() { /* set up number of alleles at loci */ long i, j; if (!firstset) samenumsp(&loci, ith); if (contchars ) { totalleles = loci; for (i = 1; i <= loci; i++) { locus[i - 1] = i; alleles[i - 1] = 2; } df = loci; } else { totalleles = 0; scan_eoln(infile); if (printdata) { fprintf(outfile, "\nNumbers of alleles at the loci:\n"); fprintf(outfile, "------- -- ------- -- --- -----\n\n"); } for (i = 1; i <= loci; i++) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld", &alleles[i - 1]); if (alleles[i - 1] <= 0) { printf("ERROR: Bad number of alleles: %ld at locus %ld\n", alleles[i-1], i); exxit(-1); } totalleles += alleles[i - 1]; if (printdata) fprintf(outfile, "%4ld", alleles[i - 1]); } locus = (long *)Malloc(totalleles*sizeof(long)); totalleles = 0; for (i = 1; i <= loci; i++) { for (j = totalleles; j < (totalleles + alleles[i - 1]); j++) locus[j] = i; totalleles += alleles[i - 1]; } df = totalleles - loci; } allocview(&curtree, nonodes2, totalleles); if (!usertree) { allocview(&bestree, nonodes2, totalleles); allocview(&priortree, nonodes2, totalleles); if (njumble > 1) allocview(&bestree2, nonodes2, totalleles); } for (i = 0; i < spp; i++) x[i] = (phenotype3)Malloc(totalleles*sizeof(double)); if (usertree) for (i = 0; i < maxtrees; i++) l0gf[i] = (double *)Malloc(totalleles*sizeof(double)); if (printdata) putc('\n', outfile); } /* getalleles */ void inputdata() { /* read species data */ long i, j, k, l, m, n, p; double sum; if (printdata) { fprintf(outfile, "\nName"); if (contchars) fprintf(outfile, " Phenotypes\n"); else fprintf(outfile, " Gene Frequencies\n"); fprintf(outfile, "----"); if (contchars) fprintf(outfile, " ----------\n"); else fprintf(outfile, " ---- -----------\n"); putc('\n', outfile); if (!contchars) { for (j = 1; j <= nmlngth - 8; j++) putc(' ', outfile); fprintf(outfile, "locus:"); p = 1; for (j = 1; j <= loci; j++) { if (all) n = alleles[j - 1]; else n = alleles[j - 1] - 1; for (k = 1; k <= n; k++) { fprintf(outfile, "%10ld", j); if (p % 6 == 0 && (all || p < df)) { putc('\n', outfile); for (l = 1; l <= nmlngth - 2; l++) putc(' ', outfile); } p++; } } fprintf(outfile, "\n\n"); } } for (i = 0; i < spp; i++) { scan_eoln(infile); initname(i); if (printdata) for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); m = 1; p = 1; for (j = 1; j <= loci; j++) { sum = 0.0; if (contchars) n = 1; else if (all) n = alleles[j - 1]; else n = alleles[j - 1] - 1; for (k = 1; k <= n; k++) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%lf", &x[i][m - 1]); sum += x[i][m - 1]; if (!contchars && x[i][m - 1] < 0.0) { printf("\n\nERROR: locus %ld in species %ld: an allele", j, i+1); printf(" frequency is negative\n"); exxit(-1); } if (printdata) { fprintf(outfile, "%10.5f", x[i][m - 1]); if (p % 6 == 0 && (all || p < df)) { putc('\n', outfile); for (l = 1; l <= nmlngth; l++) putc(' ', outfile); } } if (!contchars) { if (x[i][m - 1] >= epsilon1) x[i][m - 1] = sqrt(x[i][m - 1]); } p++; m++; } if (all && fabs(sum - 1.0) > epsilon2) { printf( "\n\nERROR: Locus %ld in species %ld: frequencies do not add up to 1\n\n", j, i + 1); exxit(-1); } if (!all && !contchars) { x[i][m - 1] = 1.0 - sum; if (x[i][m - 1] >= epsilon1) x[i][m - 1] = sqrt(x[i][m - 1]); if (x[i][m - 1] < 0.0) { if (x[i][m - 1] > -epsilon2) { for (l = 0; l <= m - 2; l++) x[i][l] /= sqrt(sum); x[i][m - 1] = 0.0; } else { printf("\n\nERROR: Locus %ld in species %ld: ", j, i + 1); printf("frequencies add up to more than 1\n\n"); exxit(-1); } } m++; } } if (printdata) putc('\n', outfile); } scan_eoln(infile); if (printdata) putc('\n', outfile); } /* inputdata */ void getinput() { /* reads the input data */ getalleles(); inputdata(); } /* getinput */ void sumlikely(node *p, node *q, double *sum) { /* sum contribution to likelihood over forks in tree */ long i; double term, sumsq, vee; double TEMP; if (!p->tip) sumlikely(p->next->back, p->next->next->back, sum); if (!q->tip) sumlikely(q->next->back, q->next->next->back, sum); if (p->back == q) vee = p->v; else vee = p->v + q->v; vee += p->deltav + q->deltav; if (vee <= 1.0e-10) { printf("ERROR: check for two identical species "); printf("and eliminate one from the data\n"); exxit(-1); } sumsq = 0.0; if (usertree && which <= maxtrees) { for (i = 0; i < loci; i++) l0gf[which - 1] [i] += (1 - alleles[i]) * log(vee) / 2.0; } for (i = 0; i < totalleles; i++) { TEMP = p->view[i] - q->view[i]; term = TEMP * TEMP; if (usertree && which <= maxtrees) l0gf[which - 1] [locus[i] - 1] -= term / (2.0 * vee); sumsq += term; } (*sum) += df * log(vee) / -2.0 - sumsq / (2.0 * vee); } /* sumlikely */ double evaluate(tree *t) { /* evaluate likelihood of a tree */ long i; double sum; sum = 0.0; if (usertree && which <= maxtrees) { for (i = 0; i < loci; i++) l0gf[which - 1][i] = 0.0; } sumlikely(t->start->back, t->start, &sum); if (usertree) { l0gl[which - 1] = sum; if (which == 1) { maxwhich = 1; maxlogl = sum; } else if (sum > maxlogl) { maxwhich = which; maxlogl = sum; } } t->likelihood = sum; return sum; } /* evaluate */ double distance(node *p, node *q) { /* distance between two nodes */ long i; double sum; double TEMP; sum = 0.0; for (i = 0; i < totalleles; i++) { TEMP = p->view[i] - q->view[i]; sum += TEMP * TEMP; } return sum; } /* distance */ void makedists(node *p) { long i; node *q; /* compute distances among three neighbors of a node */ for (i = 1; i <= 3; i++) { q = p->next; p->dist = distance(p->back, q->back); p = q; } } /* makedists */ void makebigv(node *p, boolean *negatives) { /* make new branch length */ long i; node *temp, *q, *r; q = p->next; r = q->next; *negatives = false; for (i = 1; i <= 3; i++) { p->bigv = p->v + p->back->deltav; if (p->iter) { p->bigv = (p->dist + r->dist - q->dist) / (df * 2); p->back->bigv = p->bigv; if (p->bigv < p->back->deltav) *negatives = true; } temp = p; p = q; q = r; r = temp; } } /* makebigv */ void correctv(node *p) { /* iterate branch lengths if some are to be zero */ node *q, *r, *temp; long i, j; double f1, f2, vtot; q = p->next; r = q->next; for (i = 1; i <= smoothings; i++) { for (j = 1; j <= 3; j++) { vtot = q->bigv + r->bigv; if (vtot > 0.0) f1 = q->bigv / vtot; else f1 = 0.5; f2 = 1.0 - f1; p->bigv = (f1 * r->dist + f2 * p->dist - f1 * f2 * q->dist) / df; p->bigv -= vtot * f1 * f2; if (p->bigv < p->back->deltav) p->bigv = p->back->deltav; p->back->bigv = p->bigv; temp = p; p = q; q = r; r = temp; } } } /* correctv */ void littlev(node *p) { /* remove part of it that belongs to other barnches */ long i; for (i = 1; i <= 3; i++) { if (p->iter) p->v = p->bigv - p->back->deltav; if (p->back->iter) p->back->v = p->v; p = p->next; } } /* littlev */ void nuview(node *p) { /* renew information about subtrees */ long i, j; node *q, *r, *a, *b, *temp; double v1, v2, vtot, f1, f2; q = p->next; r = q->next; for (i = 1; i <= 3; i++) { a = q->back; b = r->back; v1 = q->bigv; v2 = r->bigv; vtot = v1 + v2; if (vtot > 0.0) f1 = v2 / vtot; else f1 = 0.5; f2 = 1.0 - f1; for (j = 0; j view[j] = f1 * a->view[j] + f2 * b->view[j]; p->deltav = v1 * f1; temp = p; p = q; q = r; r = temp; } } /* nuview */ void update(node *p) { /* update branch lengths around a node */ boolean negatives; if (p->tip) return; makedists(p); makebigv(p,&negatives); if (negatives) correctv(p); littlev(p); nuview(p); } /* update */ void smooth(node *p) { /* go through tree getting new branch lengths and views */ if (p->tip) return; update(p); smooth(p->next->back); smooth(p->next->next->back); } /* smooth */ void insert_(node *p, node *q) { /* put p and q together and iterate info. on resulting tree */ long i; hookup(p->next->next, q->back); hookup(p->next, q); for (i = 1; i <= smoothings; i++) { smooth(p); smooth(p->back); } } /* insert_ */ void copynode(node *c, node *d) { /* make a copy of a node */ memcpy(d->view, c->view, totalleles*sizeof(double)); d->v = c->v; d->iter = c->iter; d->deltav = c->deltav; d->bigv = c->bigv; d->dist = c->dist; d->xcoord = c->xcoord; d->ycoord = c->ycoord; d->ymin = c->ymin; d->ymax = c->ymax; } /* copynode */ void copy_(tree *a, tree *b) { /* make a copy of a tree */ long i, j; node *p, *q; for (i = 0; i < spp; i++) { copynode(a->nodep[i], b->nodep[i]); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes2; i++) { p = a->nodep[i]; q = b->nodep[i]; for (j = 1; j <= 3; j++) { copynode(p, q); if (p->back) { if (p->back == a->nodep[p->back->index - 1]) q->back = b->nodep[p->back->index - 1]; else if (p->back == a->nodep[p->back->index - 1]->next) q->back = b->nodep[p->back->index - 1]->next; else q->back = b->nodep[p->back->index - 1]->next->next; } else q->back = NULL; p = p->next; q = q->next; } } b->likelihood = a->likelihood; b->start = a->start; } /* copy_ */ void inittip(long m, tree *t) { /* initialize branch lengths and views in a tip */ node *tmp; tmp = t->nodep[m - 1]; memcpy(tmp->view, x[m - 1], totalleles*sizeof(double)); tmp->deltav = 0.0; tmp->v = 0.0; } /* inittip */ void buildnewtip(long m, tree *t, long nextsp) { /* initialize and hook up a new tip */ node *p; inittip(m, t); p = t->nodep[nextsp + spp - 3]; hookup(t->nodep[m - 1], p); } /* buildnewtip */ void buildsimpletree(tree *t) { /* make and initialize a three-species tree */ inittip(enterorder[0], t); inittip(enterorder[1], t); hookup(t->nodep[enterorder[0] - 1], t->nodep[enterorder[1] - 1]); buildnewtip(enterorder[2], t, nextsp); insert_(t->nodep[enterorder[2] - 1]->back, t->nodep[enterorder[0] - 1]); } /* buildsimpletree */ void addtraverse(node *p, node *q, boolean contin) { /* traverse through a tree, finding best place to add p */ insert_(p, q); numtrees++; if (evaluate(&curtree) > bestree.likelihood) copy_(&curtree, &bestree); copy_(&priortree, &curtree); if (!q->tip && contin) { addtraverse(p, q->next->back, contin); addtraverse(p, q->next->next->back, contin); } } /* addtraverse */ void re_move(node **p, node **q) { /* remove p and record in q where it was */ *q = (*p)->next->back; hookup(*q, (*p)->next->next->back); (*p)->next->back = NULL; (*p)->next->next->back = NULL; update(*q); update((*q)->back); } /* re_move */ void rearrange(node *p) { /* rearranges the tree, globally or locally */ node *q, *r; if (!p->tip && !p->back->tip) { r = p->next->next; re_move(&r, &q ); copy_(&curtree, &priortree); addtraverse(r, q->next->back, (boolean)(global && (nextsp == spp))); addtraverse(r, q->next->next->back, (boolean)(global && (nextsp == spp))); copy_(&bestree, &curtree); if (global && nextsp == spp && progress) { putchar('.'); fflush(stdout); } if (global && nextsp == spp && !succeeded) { if (r->back->tip) { r = r->next->next; re_move(&r, &q ); q = q->back; copy_(&curtree, &priortree); if (!q->tip) { addtraverse(r, q->next->back, true); addtraverse(r, q->next->next->back, true); } q = q->back; if (!q->tip) { addtraverse(r, q->next->back, true); addtraverse(r, q->next->next->back, true); } copy_(&bestree, &curtree); } } } if (!p->tip) { rearrange(p->next->back); rearrange(p->next->next->back); } } /* rearrange */ void coordinates(node *p, double lengthsum, long *tipy, double *tipmax) { /* establishes coordinates of nodes */ node *q, *first, *last; if (p->tip) { p->xcoord = lengthsum; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; return; } q = p->next; do { coordinates(q->back, lengthsum + q->v, tipy,tipmax); q = q->next; } while ((p == curtree.start || p != q) && (p != curtree.start || p->next != q)); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = lengthsum; if (p == curtree.start) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* coordinates */ void drawline(long i, double scale) { /* draws one row of the tree diagram by moving up tree */ node *p, *q; long n, j; boolean extra; node *r, *first = NULL, *last = NULL; boolean done; p = curtree.start; q = curtree.start; extra = false; if (i == (long)p->ycoord && p == curtree.start) { if (p->index - spp >= 10) fprintf(outfile, " %2ld", p->index - spp); else fprintf(outfile, " %ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= (long)r->back->ymin && i <= (long)r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || (p != curtree.start && r == p) || (p == curtree.start && r == p->next))); first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; if (p == curtree.start) last = p->back; } done = (p->tip || p == q); n = (long)(scale * (q->xcoord - p->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if ((long)p->ycoord != (long)q->ycoord) putc('+', outfile); else putc('-', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (q != p) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* drawline */ void printree() { /* prints out diagram of the tree */ long i; long tipy; double tipmax,scale; if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; coordinates(curtree.start, 0.0, &tipy,&tipmax); scale = over / (tipmax + 0.0001); for (i = 1; i <= (tipy - down); i++) drawline(i,scale); putc('\n', outfile); } /* printree */ void treeout(node *p) { /* write out file with representation of final tree */ long i, n, w; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { putc('(', outtree); col++; treeout(p->next->back); putc(',', outtree); col++; if (col > 55) { putc('\n', outtree); col = 0; } treeout(p->next->next->back); if (p == curtree.start) { putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } treeout(p->back); } putc(')', outtree); col++; } x = p->v; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p == curtree.start) fprintf(outtree, ";\n"); else { fprintf(outtree, ":%*.5f", (int)w + 7, x); col += w + 8; } } /* treeout */ void describe(node *p, double chilow, double chihigh) { /* print out information for one branch */ long i; node *q; double bigv, delta; q = p->back; fprintf(outfile, "%3ld ", q->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, "%15.5f", q->v); delta = p->deltav + p->back->deltav; bigv = p->v + delta; if (p->iter) fprintf(outfile, " (%12.5f,%12.5f)", chilow * bigv - delta, chihigh * bigv - delta); fprintf(outfile, "\n"); if (!p->tip) { describe(p->next->back, chilow,chihigh); describe(p->next->next->back, chilow,chihigh); } } /* describe */ void summarize(void) { /* print out branch lengths etc. */ double chilow,chihigh; fprintf(outfile, "\nremember: "); if (outgropt) fprintf(outfile, "(although rooted by outgroup) "); fprintf(outfile, "this is an unrooted tree!\n\n"); fprintf(outfile, "Ln Likelihood = %11.5f\n", curtree.likelihood); if (df == 1) { chilow = 0.000982; chihigh = 5.02389; } else if (df == 2) { chilow = 0.05064; chihigh = 7.3777; } else { chilow = 1.0 - 2.0 / (df * 9); chihigh = chilow; chilow -= 1.95996 * sqrt(2.0 / (df * 9)); chihigh += 1.95996 * sqrt(2.0 / (df * 9)); chilow *= chilow * chilow; chihigh *= chihigh * chihigh; } fprintf(outfile, "\nBetween And Length"); fprintf(outfile, " Approx. Confidence Limits\n"); fprintf(outfile, "------- --- ------"); fprintf(outfile, " ------- ---------- ------\n"); describe(curtree.start->next->back, chilow,chihigh); describe(curtree.start->next->next->back, chilow,chihigh); describe(curtree.start->back, chilow, chihigh); fprintf(outfile, "\n\n"); if (trout) { col = 0; treeout(curtree.start); } } /* summarize */ void nodeinit(node *p) { /* initialize a node */ node *q, *r; long i; if (p->tip) return; q = p->next->back; r = p->next->next->back; nodeinit(q); nodeinit(r); for (i = 0; i < totalleles; i++) p->view[i] = 0.5 * q->view[i] + 0.5 * r->view[i]; if (p->iter) p->v = 0.1; if (p->back->iter) p->back->v = 0.1; } /* nodeinit */ void initrav(node *p) { /* traverse to initialize */ if (p->tip) nodeinit(p->back); else { initrav(p->next->back); initrav(p->next->next->back); } } /* initrav */ void treevaluate() { /* evaluate user-defined tree, iterating branch lengths */ long i; initrav(curtree.start); initrav(curtree.start->back); for (i = 1; i <= smoothings * 4; i++) smooth(curtree.start); evaluate(&curtree); } /* treevaluate */ void maketree() { /* construct the tree */ long i; if (usertree) { openfile(&intree,INTREE,"input tree file", "r",progname,intreename); numtrees = countsemic(&intree); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); putc('\n', outfile); } setuptree(&curtree, nonodes2); for (which = 1; which <= spp; which++) inittip(which, &curtree); which = 1; while (which <= numtrees) { treeread2 (intree, &curtree.start, curtree.nodep, lengths, &trweight, &goteof, &haslengths, &spp); curtree.start = curtree.nodep[outgrno - 1]->back; treevaluate(); printree(); summarize(); which++; } FClose(intree); if (numtrees > 1 && loci > 1 ) { weight = (long *)Malloc(loci*sizeof(long)); for (i = 0; i < loci; i++) weight[i] = 1; standev2(numtrees, maxwhich, 0, loci-1, maxlogl, l0gl, l0gf, seed); free(weight); fprintf(outfile, "\n\n"); } } else { if (jumb == 1) { setuptree(&curtree, nonodes2); setuptree(&priortree, nonodes2); setuptree(&bestree, nonodes2); if (njumble > 1) setuptree(&bestree2, nonodes2); } for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); nextsp = 3; buildsimpletree(&curtree); curtree.start = curtree.nodep[enterorder[0] - 1]->back; if (jumb == 1) numtrees = 1; nextsp = 4; if (progress) { printf("Adding species:\n"); writename(0, 3, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } while (nextsp <= spp) { buildnewtip(enterorder[nextsp - 1], &curtree, nextsp); copy_(&curtree, &priortree); bestree.likelihood = -99999.0; addtraverse(curtree.nodep[enterorder[nextsp - 1] - 1]->back, curtree.start, true ); copy_(&bestree, &curtree); if (progress) { writename(nextsp - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } if (global && nextsp == spp) { if (progress) { printf("\nDoing global rearrangements\n"); printf(" !"); for (i = 1; i <= spp - 2; i++) putchar('-'); printf("!\n"); printf(" "); } } succeeded = true; while (succeeded) { succeeded = false; rearrange(curtree.start); if (global && nextsp == spp) putc('\n', outfile); } if (global && nextsp == spp && progress) putchar('\n'); if (njumble > 1) { if (jumb == 1 && nextsp == spp) copy_(&bestree, &bestree2); else if (nextsp == spp) { if (bestree2.likelihood < bestree.likelihood) copy_(&bestree, &bestree2); } } if (nextsp == spp && jumb == njumble) { if (njumble > 1) copy_(&bestree2, &curtree); curtree.start = curtree.nodep[outgrno - 1]->back; printree(); summarize(); } nextsp++; } } if ( jumb < njumble) return; if (progress) { printf("\n\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Tree also written onto file \"%s\"\n\n", outtreename); } freeview(&curtree, nonodes2); if (!usertree) { freeview(&bestree, nonodes2); freeview(&priortree, nonodes2); } for (i = 0; i < spp; i++) free(x[i]); if (!contchars) free(locus); if (usertree) for (i = 0; i < maxtrees; i++) free(l0gf[i]); } /* maketree */ int main(int argc, Char *argv[]) { /* main program */ #ifdef MAC argc = 1; /* macsetup("Contml",""); */ argv[0] = "Contml"; #endif init(argc, argv); progname = argv[0]; openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; firstset = true; datasets = 1; doinit(); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); for (ith = 1; ith <= datasets; ith++) { getinput(); if (ith == 1) firstset = false; if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n\n", ith); if (progress) printf("\nData set # %ld:\n", ith); } for (jumb = 1; jumb <= njumble; jumb++) maketree(); } FClose(outfile); FClose(outtree); FClose(infile); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } ./arbsrc_9167/GDE/PHYLIP/contrast.c0000644012664100000130000006516211213220011016535 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #include "phylip.h" #include "cont.h" #ifndef OLDC /* function prototypes */ void getoptions(void); void getdata(void); void allocrest(void); void doinit(void); void contwithin(void); void contbetween(node *, node *); void nuview(node *); void makecontrasts(node *); void writecontrasts(void); void regressions(void); double logdet(double **); void invert(double **); void initcovars(boolean); double normdiff(boolean); void matcopy(double **, double **); void newcovars(boolean); void printcovariances(boolean); void emiterate(boolean); void initcontrastnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH]; long nonodes, chars, numtrees; long *sample, contnum; phenotype3 **x, **cntrast, *ssqcont; double **vara, **vare, **oldvara, **oldvare, **Bax, **Bex, **temp1, **temp2, **temp3; double logL, logLvara, logLnovara; boolean nophylo, printdata, progress, reg, mulsets, varywithin, writecont, bifurcating; Char ch; long contno; node *grbg; /* Local variables for maketree, propagated globally for c version: */ tree curtree; /* Variables declared just to make treeread happy */ boolean haslengths, goteof, first; double trweight; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch; boolean done, done1; mulsets = false; nophylo = true; printdata = false; progress = true; varywithin = false; writecont = false; loopcount = 0; do { cleerhome(); printf("\nContinuous character comparative analysis, version %s\n\n", VERSION); printf("Settings for this run:\n"); printf(" W within-population variation in data?"); if (varywithin) printf(" Yes, multiple individuals\n"); else { printf(" No, species values are means\n"); printf(" R Print out correlations and regressions? %s\n", (reg ? "Yes" : "No")); } printf(" A LRT test of no phylogenetic component?"); if (nophylo) printf(" Yes, with and without VarA\n"); else printf(" No, just assume it is there\n"); if (!varywithin) printf(" C Print out contrasts? %s\n", (writecont? "Yes" : "No")); printf(" M Analyze multiple trees?"); if (mulsets) printf(" Yes, %2ld trees\n", numtrees); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); done = (ch == 'Y'); if (!done) { if (strchr("RAMWC120", ch) != NULL) { switch (ch) { case 'R': reg = !reg; break; case 'A': nophylo = !nophylo; break; case 'M': mulsets = !mulsets; if (mulsets) { loopcount2 = 0; do { printf("How many trees?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &numtrees); getchar(); done1 = (numtrees >= 1); if (!done1) printf("BAD TREES NUMBER: it must be greater than 1\n"); countup(&loopcount2, 10); } while (done1 != true); } break; case 'C': writecont = !writecont; break; case 'W': varywithin = !varywithin; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); } /* getoptions */ void getdata() { /* read species data */ long i, j, k, l; if (printdata) { fprintf(outfile, "\nContinuous character contrasts analysis, version %s\n\n",VERSION); fprintf(outfile, "%4ld Populations, %4ld Characters\n\n", spp, chars); fprintf(outfile, "Name"); fprintf(outfile, " Phenotypes\n"); fprintf(outfile, "----"); fprintf(outfile, " ----------\n\n"); } x = (phenotype3 **)Malloc((long)spp*sizeof(phenotype3 *)); cntrast = (phenotype3 **)Malloc((long)spp*sizeof(phenotype3 *)); ssqcont = (phenotype3 *)Malloc((long)spp*sizeof(phenotype3 *)); contnum = spp-1; for (i = 0; i < spp; i++) { scan_eoln(infile); initname(i); if (varywithin) { fscanf(infile, "%ld", &sample[i]); contnum += sample[i]-1; scan_eoln(infile); } else sample[i] = 1; if (printdata) for(j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); x[i] = (phenotype3 *)Malloc((long)sample[i]*sizeof(phenotype3)); cntrast[i] = (phenotype3 *)Malloc((long)(sample[i]*sizeof(phenotype3))); ssqcont[i] = (double *)Malloc((long)(sample[i]*sizeof(double))); for (k = 0; k <= sample[i]-1; k++) { x[i][k] = (phenotype3)Malloc((long)chars*sizeof(double)); cntrast[i][k] = (phenotype3)Malloc((long)chars*sizeof(double)); for (j = 1; j <= chars; j++) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%lf", &x[i][k][j - 1]); if (printdata) { fprintf(outfile, "%10.5f", x[i][k][j - 1]); if (j % 6 == 0) { putc('\n', outfile); for (l = 1; l <= nmlngth; l++) putc(' ', outfile); } } } } if (printdata) putc('\n', outfile); } scan_eoln(infile); if (printdata) putc('\n', outfile); } /* getdata */ void allocrest() { long i; /* otherwise if individual variation, these are allocated in getdata */ sample = (long *)Malloc((long)spp*sizeof(long)); nayme = (naym *)Malloc((long)spp*sizeof(naym)); vara = (double **)Malloc((long)chars*sizeof(double *)); oldvara = (double **)Malloc((long)chars*sizeof(double *)); vare = (double **)Malloc((long)chars*sizeof(double *)); oldvare = (double **)Malloc((long)chars*sizeof(double *)); Bax = (double **)Malloc((long)chars*sizeof(double *)); Bex = (double **)Malloc((long)chars*sizeof(double *)); temp1 = (double **)Malloc((long)chars*sizeof(double *)); temp2 = (double **)Malloc((long)chars*sizeof(double *)); temp3 = (double **)Malloc((long)chars*sizeof(double *)); for (i = 0; i < chars; i++) { vara[i] = (double *)Malloc((long)chars*sizeof(double)); oldvara[i] = (double *)Malloc((long)chars*sizeof(double)); vare[i] = (double *)Malloc((long)chars*sizeof(double)); oldvare[i] = (double *)Malloc((long)chars*sizeof(double)); Bax[i] = (double *)Malloc((long)chars*sizeof(double)); Bex[i] = (double *)Malloc((long)chars*sizeof(double)); temp1[i] = (double *)Malloc((long)chars*sizeof(double)); temp2[i] = (double *)Malloc((long)chars*sizeof(double)); temp3[i] = (double *)Malloc((long)chars*sizeof(double)); } } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); getoptions(); allocrest(); } /* doinit */ void contwithin() { /* compute the within-species contrasts, if any */ long i, j, k; double *sumphen; sumphen = (double *)Malloc((long)chars*sizeof(double)); for (i = 0; i <= spp-1 ; i++) { for (j = 0; j < chars; j++) sumphen[j] = 0.0; for (k = 0; k <= (sample[i]-1); k++) { for (j = 0; j < chars; j++) { if (k > 0) cntrast[i][k][j] = (sumphen[j] - k*x[i][k][j])/sqrt((double)(k*(k+1))); sumphen[j] += x[i][k][j]; if (k == (sample[i]-1)) curtree.nodep[i]->view[j] = sumphen[j]/sample[i]; x[i][0][j] = sumphen[j]/sample[i]; } if (k == 0) curtree.nodep[i]->ssq = 1.0/sample[i]; /* sum of squares for sp. i */ else ssqcont[i][k] = 1.0; /* if a within contrast */ } } contno = 1; } /* contwithin */ void contbetween(node *p, node *q) { /* compute one contrast */ long i; double v1, v2; for (i = 0; i < chars; i++) cntrast[contno - 1][0][i] = (p->view[i] - q->view[i])/sqrt(p->ssq+q->ssq); v1 = q->v + q->deltav; if (p->back != q) v2 = p->v + p->deltav; else v2 = p->deltav; ssqcont[contno - 1][0] = (v1 + v2)/(p->ssq + q->ssq); /* this is really the variance of the contrast */ contno++; } /* contbetween */ void nuview(node *p) { /* renew information about subtrees */ long j; node *q, *r; double v1, v2, vtot, f1, f2; q = p->next->back; r = p->next->next->back; v1 = q->v + q->deltav; v2 = r->v + r->deltav; vtot = v1 + v2; if (vtot > 0.0) f1 = v2 / vtot; else f1 = 0.5; f2 = 1.0 - f1; for (j = 0; j < chars; j++) p->view[j] = f1 * q->view[j] + f2 * r->view[j]; p->deltav = v1 * f1; p->ssq = f1*f1*q->ssq + f2*f2*r->ssq; } /* nuview */ void makecontrasts(node *p) { /* compute the contrasts, recursively */ if (p->tip) return; makecontrasts(p->next->back); makecontrasts(p->next->next->back); nuview(p); contbetween(p->next->back, p->next->next->back); } /* makecontrasts */ void writecontrasts() { /* write out the contrasts */ long i, j; if (printdata || reg) { fprintf(outfile, "\nContrasts (columns are different characters)\n"); fprintf(outfile, "--------- -------- --- --------- -----------\n\n"); } for (i = 0; i <= contno - 2; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.5f", cntrast[i][0][j]); putc('\n', outfile); } } /* writecontrasts */ void regressions() { /* compute regressions and correlations among contrasts */ long i, j, k; double **sumprod; sumprod = (double **)Malloc((long)chars*sizeof(double *)); for (i = 0; i < chars; i++) { sumprod[i] = (double *)Malloc((long)chars*sizeof(double)); for (j = 0; j < chars; j++) sumprod[i][j] = 0.0; } for (i = 0; i <= contno - 2; i++) { for (j = 0; j < chars; j++) { for (k = 0; k < chars; k++) sumprod[j][k] += cntrast[i][0][j] * cntrast[i][0][k]; } } fprintf(outfile, "\nCovariance matrix\n"); fprintf(outfile, "---------- ------\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) sumprod[i][j] /= contno - 1; } for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", sumprod[i][j]); putc('\n', outfile); } fprintf(outfile, "\nRegressions (columns on rows)\n"); fprintf(outfile, "----------- -------- -- -----\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", sumprod[i][j] / sumprod[i][i]); putc('\n', outfile); } fprintf(outfile, "\nCorrelations\n"); fprintf(outfile, "------------\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", sumprod[i][j] / sqrt(sumprod[i][i] * sumprod[j][j])); putc('\n', outfile); } for (i = 0; i < chars; i++) free(sumprod[i]); free(sumprod); } /* regressions */ double logdet(double **a) { /* Gauss-Jordan log determinant calculation. in place, overwriting previous contents of a. On exit, matrix a contains the inverse. Works only for positive definite A */ long i, j, k; double temp, sum; sum = 0.0; for (i = 0; i < chars; i++) { if (a[i][i] == 0.0) { /* debug make fabs() < 1.0E-37 instead? */ printf("ERROR: tried to invert singular matrix.\n"); exxit(-1); } sum += log(a[i][i]); temp = 1.0 / a[i][i]; a[i][i] = 1.0; for (j = 0; j < chars; j++) a[i][j] *= temp; for (j = 0; j < chars; j++) { if (j != i) { temp = a[j][i]; a[j][i] = 0.0; for (k = 0; k < chars; k++) a[j][k] -= temp * a[i][k]; } } } return(sum); } /* lodget */ void invert(double **a) { /* Gauss-Jordan reduction -- invert chars x chars matrix a in place, overwriting previous contents of a. On exit, matrix a contains the inverse.*/ long i, j, k; double temp; for (i = 0; i < chars; i++) { if (a[i][i] == 0.0) { /* debug make fabs() < 1.0E-37 instead? */ printf("ERROR: tried to invert singular matrix.\n"); exxit(-1); } temp = 1.0 / a[i][i]; a[i][i] = 1.0; for (j = 0; j < chars; j++) a[i][j] *= temp; for (j = 0; j < chars; j++) { if (j != i) { temp = a[j][i]; a[j][i] = 0.0; for (k = 0; k < chars; k++) a[j][k] -= temp * a[i][k]; } } } } /*invert*/ void initcovars(boolean novara) { /* Initialize covariance estimates */ long i, j, k, l, contswithin; /* zero the matrices */ for (i = 0; i < chars; i++) for (j = 0; j < chars; j++) { vara[i][j] = 0.0; vare[i][j] = 0.0; } /* estimate VE from within contrasts -- unbiasedly */ contswithin = 0; for (i = 0; i < spp; i++) { for (j = 1; j < sample[i]; j++) { contswithin++; for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) vare[k][l] += cntrast[i][j][k]*cntrast[i][j][l]; } } /* estimate VA from between contrasts -- biasedly: does not take out VE */ if (!novara) { /* leave VarA = 0 if no A component assumed present */ for (i = 0; i < spp-1; i++) { for (j = 0; j < chars; j++) for (k = 0; k < chars; k++) if (ssqcont[i][0] <= 0.0) vara[j][k] += cntrast[i][0][j]*cntrast[i][0][k]; else vara[j][k] += cntrast[i][0][j]*cntrast[i][0][k] / ((long)(spp-1)*ssqcont[i][0]); } } for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) if (contswithin > 0) vare[k][l] /= contswithin; else { if (!novara) { vara[k][l] = 0.5 * vara[k][l]; vare[k][l] = vara[k][l]; } } } /* initcovars */ double normdiff(boolean novara) { /* Get relative norm of difference between old, new covariances */ double s; long i, j; s = 0.0; for (i = 0; i < chars; i++) for (j = 0; j < chars; j++) { if (!novara) { if (fabs(oldvara[i][j]) <= 0.00000001) s += vara[i][j]; else s += fabs(vara[i][j]/oldvara[i][j]-1.0); } if (fabs(oldvare[i][j]) <= 0.00000001) s += vare[i][j]; else s += fabs(vare[i][j]/oldvare[i][j]-1.0); } return s/((double)(chars*chars)); } /* normdiff */ void matcopy(double **a, double **b) { /* Copy matrices chars x chars: a to b */ long i; for (i = 0; i < chars; i++) { memcpy(b[i], a[i], chars*sizeof(double)); } } /* matcopy */ void newcovars(boolean novara) { /* one EM update of covariances, compute old likelihood too */ long i, j, k, l, m; double sum, sum2, sum3, sqssq; if (!novara) matcopy(vara, oldvara); matcopy(vare, oldvare); sum2 = 0.0; /* log likelihood of old parameters accumulates here */ for (i = 0; i < chars; i++) /* zero out vara and vare */ for (j = 0; j < chars; j++) { if (!novara) vara[i][j] = 0.0; vare[i][j] = 0.0; } for (i = 0; i < spp-1; i++) { /* accumulate over contrasts ... */ if (i <= spp-2) { /* E(aa'|x) and E(ee'|x) for "between" contrasts */ sqssq = sqrt(ssqcont[i][0]); for (k = 0; k < chars; k++) /* compute (dA+E) for this contrast */ for (l = 0; l < chars; l++) if (!novara) temp1[k][l] = ssqcont[i][0] * oldvara[k][l] + oldvare[k][l]; else temp1[k][l] = oldvare[k][l]; matcopy(temp1, temp2); invert(temp2); /* compute (dA+E)^(-1) */ /* sum of - x (dA+E)^(-1) x'/2 for old A, E */ for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) sum2 -= cntrast[i][0][k]*temp2[k][l]*cntrast[i][0][l]/2.0; matcopy(temp1, temp3); sum2 -= 0.5 * logdet(temp3); /* log determinant term too */ if (!novara) { for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { sum = 0.0; for (j = 0; j < chars; j++) sum += temp2[k][j] * sqssq * oldvara[j][l]; Bax[k][l] = sum; /* Bax = (dA+E)^(-1) * sqrt(d) * A */ } } for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { sum = 0.0; for (j = 0; j < chars; j++) sum += temp2[k][j] * oldvare[j][l]; Bex[k][l] = sum; /* Bex = (dA+E)^(-1) * E */ } if (!novara) { for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { sum = 0.0; for (m = 0; m < chars; m++) sum += Bax[m][k] * (cntrast[i][0][m]*cntrast[i][0][l] -temp1[m][l]); temp2[k][l] = sum; /* Bax'*(xx'-(dA+E)) ... */ } for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { sum = 0.0; for (m = 0; m < chars; m++) sum += temp2[k][m] * Bax[m][l]; vara[k][l] += sum; /* ... * Bax */ } } for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { sum = 0.0; for (m = 0; m < chars; m++) sum += Bex[m][k] * (cntrast[i][0][m]*cntrast[i][0][l] -temp1[m][l]); temp2[k][l] = sum; /* Bex'*(xx'-(dA+E)) ... */ } for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { sum = 0.0; for (m = 0; m < chars; m++) sum += temp2[k][m] * Bex[m][l]; vare[k][l] += sum; /* ... * Bex */ } } } matcopy(oldvare, temp2); invert(temp2); /* get E^(-1) */ matcopy(oldvare, temp3); sum3 = 0.5 * logdet(temp3); /* get 1/2 log det(E) */ for (i = 0; i < spp; i++) { if (sample[i] > 1) { for (j = 1; j < sample[i]; j++) { /* E(aa'|x) (invisibly) and E(ee'|x) for within contrasts */ for (k = 0; k < chars; k++) for (l = 0; l < chars; l++) { vare[k][l] += cntrast[i][j][k] * cntrast[i][j][l] - oldvare[k][l]; sum2 -= cntrast[i][j][k] * temp2[k][l] * cntrast[i][j][l] / 2.0; /* accumulate - x*E^(-1)*x'/2 for old E */ } sum2 -= sum3; /* log determinant term too */ } } } for (i = 0; i < chars; i++) /* complete EM by dividing by denom ... */ for (j = 0; j < chars; j++) { /* ... and adding old VA, VE */ if (!novara) { vara[i][j] /= (double)contnum; vara[i][j] += oldvara[i][j]; } vare[i][j] /= (double)contnum; vare[i][j] += oldvare[i][j]; } logL = sum2; /* log likelihood for old values */ } /* newcovars */ void printcovariances(boolean novara) { /* print out ML covariances and regressions in the error-covariance case */ long i, j; fprintf(outfile, "\n\n"); if (novara) fprintf(outfile, "Estimates when VarA is not in the model\n\n"); else fprintf(outfile, "Estimates when VarA is in the model\n\n"); if (!novara) { fprintf(outfile, "Estimate of VarA\n"); fprintf(outfile, "-------- -- ----\n"); fprintf(outfile, "\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, " %12.6f ", vara[i][j]); fprintf(outfile, "\n"); } fprintf(outfile, "\n"); } fprintf(outfile, "Estimate of VarE\n"); fprintf(outfile, "-------- -- ----\n"); fprintf(outfile, "\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, " %12.6f ", vare[i][j]); fprintf(outfile, "\n"); } fprintf(outfile, "\n"); if (!novara) { fprintf(outfile, "VarA Regressions (columns on rows)\n"); fprintf(outfile, "---- ----------- -------- -- -----\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", vara[i][j] / vara[i][i]); putc('\n', outfile); } fprintf(outfile, "\n"); fprintf(outfile, "VarA Correlations\n"); fprintf(outfile, "---- ------------\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", vara[i][j] / sqrt(vara[i][i] * vara[j][j])); putc('\n', outfile); } fprintf(outfile, "\n"); } fprintf(outfile, "VarE Regressions (columns on rows)\n"); fprintf(outfile, "---- ----------- -------- -- -----\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", vare[i][j] / vare[i][i]); putc('\n', outfile); } fprintf(outfile, "\n"); fprintf(outfile, "\nVarE Correlations\n"); fprintf(outfile, "---- ------------\n\n"); for (i = 0; i < chars; i++) { for (j = 0; j < chars; j++) fprintf(outfile, "%10.4f", vare[i][j] / sqrt(vare[i][i] * vare[j][j])); putc('\n', outfile); } fprintf(outfile, "\n\n"); } /* printcovariances */ void emiterate(boolean novara) { /* EM iteration of error and phylogenetic covariances */ /* How to handle missing values? */ long its; double relnorm; initcovars(novara); its = 1; do { newcovars(novara); relnorm = normdiff(novara); if (its % 100 == 0) printf("Iteration no. %ld: ln L = %f, Norm = %f\n", its, logL, relnorm); its++; } while ((relnorm > 0.00001) && (its < 10000)); if (its == 10000) { printf("\nWARNING: Iterations did not converge."); printf(" Results may be unreliable.\n"); } } /* emiterate */ void initcontrastnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; nodep[(*p)->index - 1] = (*p); (*p)->view = (phenotype3)Malloc((long)chars*sizeof(double)); break; case nonbottom: gnu(grbg, p); (*p)->index = nodei; (*p)->view = (phenotype3)Malloc((long)chars*sizeof(double)); break; case tip: match_names_to_data (str, nodep, p, spp); (*p)->view = (phenotype3)Malloc((long)chars*sizeof(double)); (*p)->deltav = 0.0; break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); (*p)->v = valyew / divisor; (*p)->iter = false; if ((*p)->back != NULL) { (*p)->back->v = (*p)->v; (*p)->back->iter = false; } break; default: /* cases of hslength,iter,hsnolength,treewt,unittrwt*/ break; /* not handled */ } } /* initcontrastnode */ void maketree() { /* set up the tree and use it */ long which, nextnode; node *q, *r; alloctree(&curtree.nodep, nonodes); setuptree(&curtree, nonodes); which = 1; while (which <= numtrees) { if ((printdata || reg) && numtrees > 1) { fprintf(outfile, "Tree number%4ld\n", which); fprintf(outfile, "==== ====== ====\n\n"); } nextnode = 0; treeread (intree, &curtree.start, curtree.nodep, &goteof, &first, curtree.nodep, &nextnode, &haslengths, &grbg, initcontrastnode); q = curtree.start; r = curtree.start; while (!(q->next == curtree.start)) q = q->next; q->next = curtree.start->next; curtree.start = q; chuck(&grbg, r); curtree.nodep[spp] = q; bifurcating = (curtree.start->next->next == curtree.start); contwithin(); makecontrasts(curtree.start); if (!bifurcating) { makecontrasts(curtree.start->back); contbetween(curtree.start, curtree.start->back); } if (!varywithin) { if (writecont) writecontrasts(); if (reg) regressions(); putc('\n', outfile); } else { emiterate(false); printcovariances(false); if (nophylo) { logLvara = logL; emiterate(nophylo); printcovariances(nophylo); logLnovara = logL; fprintf(outfile, "\n\n\n Likelihood Ratio Test"); fprintf(outfile, " of no VarA component\n"); fprintf(outfile, " ---------- ----- ----"); fprintf(outfile, " -- -- ---- ---------\n\n"); fprintf(outfile, " Log likelihood with varA = %13.5f,", logLvara); fprintf(outfile, " %ld parameters\n\n", chars*(chars+1)); fprintf(outfile, " Log likelihood without varA = %13.5f,", logLnovara); fprintf(outfile, " %ld parameters\n\n", chars*(chars+1)/2); fprintf(outfile, " difference = %13.5f\n\n", logLvara-logLnovara); fprintf(outfile, " Chi-square value = %13.5f, ", 2.0*(logLvara-logLnovara)); fprintf(outfile, " %ld degrees of freedom\n\n", chars*(chars+1)/2); } } which++; } if (progress) printf("\nOutput written to file \"%s\"\n\n", outfilename); } /* maketree */ int main(int argc, Char *argv[]) { /* main program */ #ifdef MAC argc = 1; /* macsetup("Contrast","Contrast"); */ argv[0] = "Contrast"; #endif init(argc, argv); openfile(&infile,INFILE,"input data","r",argv[0],infilename); openfile(&intree,INTREE,"input tree", "r",argv[0],intreename); openfile(&outfile,OUTFILE,"output", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; reg = true; numtrees = 1; doinit(); getdata(); maketree(); FClose(infile); FClose(outfile); FClose(intree); printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } ./arbsrc_9167/GDE/PHYLIP/disc.c0000644012664100000130000006161211213220011015616 0ustar arb_buildcoders#include "phylip.h" #include "disc.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ long chars, nonodes, nextree, which; /* nonodes = number of nodes in tree * * chars = number of binary characters * * words = number of words needed to represent characters of one organism */ steptr weight, extras; boolean printdata; void inputdata(pointptr treenode,boolean dollo,boolean printdata,FILE *outfile) { /* input the names and character state data for species */ /* used in Dollop, Dolpenny, Dolmove, & Move */ long i, j, l; char k; Char charstate; /* possible states are '0', '1', 'P', 'B', and '?' */ if (printdata) headings(chars, "Characters", "----------"); for (i = 0; i < (chars); i++) extras[i] = 0; for (i = 1; i <= spp; i++) { initname(i-1); if (printdata) { for (j = 0; j < nmlngth; j++) putc(nayme[i - 1][j], outfile); fprintf(outfile, " "); } for (j = 0; j < (words); j++) { treenode[i - 1]->stateone[j] = 0; treenode[i - 1]->statezero[j] = 0; } for (j = 1; j <= (chars); j++) { k = (j - 1) % bits + 1; l = (j - 1) / bits + 1; do { if (eoln(infile)) scan_eoln(infile); charstate = gettc(infile); } while (charstate == ' '); if (charstate == 'b') charstate = 'B'; if (charstate == 'p') charstate = 'P'; if (charstate != '0' && charstate != '1' && charstate != '?' && charstate != 'P' && charstate != 'B') { printf("\n\nERROR: Bad character state: %c ",charstate); printf("at character %ld of species %ld\n\n", j, i); exxit(-1); } if (printdata) { newline(outfile, j, 55, nmlngth + 3); putc(charstate, outfile); if (j % 5 == 0) putc(' ', outfile); } if (charstate == '1') treenode[i - 1]->stateone[l - 1] = ((long)treenode[i - 1]->stateone[l - 1]) | (1L << k); if (charstate == '0') treenode[i - 1]->statezero[l - 1] = ((long)treenode[i - 1]->statezero[l - 1]) | (1L << k); if (charstate == 'P' || charstate == 'B') { if (dollo) extras[j - 1] += weight[j - 1]; else { treenode[i - 1]->stateone[l - 1] = ((long)treenode[i - 1]->stateone[l - 1]) | (1L << k); treenode[i - 1]->statezero[l - 1] = ((long)treenode[i - 1]->statezero[l - 1]) | (1L << k); } } } scan_eoln(infile); if (printdata) putc('\n', outfile); } if (printdata) fprintf(outfile, "\n\n"); } /* inputdata */ void inputdata2(pointptr2 treenode) { /* input the names and character state data for species */ /* used in Mix & Penny */ long i, j, l; char k; Char charstate; /* possible states are '0', '1', 'P', 'B', and '?' */ if (printdata) headings(chars, "Characters", "----------"); for (i = 0; i < (chars); i++) extras[i] = 0; for (i = 1; i <= spp; i++) { initname(i-1); if (printdata) { for (j = 0; j < nmlngth; j++) putc(nayme[i - 1][j], outfile); } fprintf(outfile, " "); for (j = 0; j < (words); j++) { treenode[i - 1]->fulstte1[j] = 0; treenode[i - 1]->fulstte0[j] = 0; treenode[i - 1]->empstte1[j] = 0; treenode[i - 1]->empstte0[j] = 0; } for (j = 1; j <= (chars); j++) { k = (j - 1) % bits + 1; l = (j - 1) / bits + 1; do { if (eoln(infile)) scan_eoln(infile); charstate = gettc(infile); if (charstate == '\n') charstate = ' '; } while (charstate == ' '); if (charstate == 'b') charstate = 'B'; if (charstate == 'p') charstate = 'P'; if (charstate != '0' && charstate != '1' && charstate != '?' && charstate != 'P' && charstate != 'B') { printf("\n\nERROR: Bad character state: %c ",charstate); printf("at character %ld of species %ld\n\n", j, i); exxit(-1); } if (printdata) { newline(outfile, j, 55, nmlngth + 3); putc(charstate, outfile); if (j % 5 == 0) putc(' ', outfile); } if (charstate == '1') { treenode[i-1]->fulstte1[l-1] = ((long)treenode[i-1]->fulstte1[l-1]) | (1L << k); treenode[i-1]->empstte1[l-1] = treenode[i-1]->fulstte1[l-1]; } if (charstate == '0') { treenode[i-1]->fulstte0[l-1] = ((long)treenode[i-1]->fulstte0[l-1]) | (1L << k); treenode[i-1]->empstte0[l-1] = treenode[i-1]->fulstte0[l-1]; } if (charstate == 'P' || charstate == 'B') extras[j-1] += weight[j-1]; } scan_eoln(infile); if (printdata) putc('\n', outfile); } fprintf(outfile, "\n\n"); } /* inputdata2 */ void alloctree(pointptr *treenode) { /* allocate tree nodes dynamically */ /* used in dollop, dolmove, dolpenny, & move */ long i, j; node *p, *q; (*treenode) = (pointptr)Malloc(nonodes*sizeof(node *)); for (i = 0; i < (spp); i++) { (*treenode)[i] = (node *)Malloc(sizeof(node)); (*treenode)[i]->stateone = (bitptr)Malloc(words*sizeof(long)); (*treenode)[i]->statezero = (bitptr)Malloc(words*sizeof(long)); } for (i = spp; i < (nonodes); i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node *)Malloc(sizeof(node)); p->stateone = (bitptr)Malloc(words*sizeof(long)); p->statezero = (bitptr)Malloc(words*sizeof(long)); p->next = q; q = p; } p->next->next->next = p; (*treenode)[i] = p; } } /* alloctree */ void alloctree2(pointptr2 *treenode) { /* allocate tree nodes dynamically */ /* used in mix & penny */ long i, j; node2 *p, *q; (*treenode) = (pointptr2)Malloc(nonodes*sizeof(node2 *)); for (i = 0; i < (spp); i++) { (*treenode)[i] = (node2 *)Malloc(sizeof(node2)); (*treenode)[i]->fulstte1 = (bitptr)Malloc(words*sizeof(long)); (*treenode)[i]->fulstte0 = (bitptr)Malloc(words*sizeof(long)); (*treenode)[i]->empstte1 = (bitptr)Malloc(words*sizeof(long)); (*treenode)[i]->empstte0 = (bitptr)Malloc(words*sizeof(long)); (*treenode)[i]->fulsteps = (bitptr)Malloc(words*sizeof(long)); (*treenode)[i]->empsteps = (bitptr)Malloc(words*sizeof(long)); } for (i = spp; i < (nonodes); i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node2 *)Malloc(sizeof(node2)); p->fulstte1 = (bitptr)Malloc(words*sizeof(long)); p->fulstte0 = (bitptr)Malloc(words*sizeof(long)); p->empstte1 = (bitptr)Malloc(words*sizeof(long)); p->empstte0 = (bitptr)Malloc(words*sizeof(long)); p->fulsteps = (bitptr)Malloc(words*sizeof(long)); p->empsteps = (bitptr)Malloc(words*sizeof(long)); p->next = q; q = p; } p->next->next->next = p; (*treenode)[i] = p; } } /* alloctree2 */ void setuptree(pointptr treenode) { /* initialize tree nodes */ /* used in dollop, dolmove, dolpenny, & move */ long i; node *p; for (i = 1; i <= (nonodes); i++) { treenode[i-1]->back = NULL; treenode[i-1]->tip = (i <= spp); treenode[i-1]->index = i; if (i > spp) { p = treenode[i-1]->next; while (p != treenode[i-1]) { p->back = NULL; p->tip = false; p->index = i; p = p->next; } } } } /* setuptree */ void setuptree2(pointptr2 treenode) { /* initialize tree nodes */ /* used in mix & penny */ long i; node2 *p; for (i = 1; i <= (nonodes); i++) { treenode[i-1]->back = NULL; treenode[i-1]->tip = (i <= spp); treenode[i-1]->index = i; if (i > spp) { p = treenode[i-1]->next; while (p != treenode[i-1]) { p->back = NULL; p->tip = false; p->index = i; p = p->next; } } } } /* setuptree2 */ void inputancestors(boolean *anczero0, boolean *ancone0) { /* reads the ancestral states for each character */ /* used in dollop, dolmove, dolpenny, mix, move, & penny */ long i; Char ch; for (i = 1; i < nmlngth; i++) gettc(infile); for (i = 0; i < (chars); i++) { anczero0[i] = true; ancone0[i] = true; do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); if (ch == '\n') ch = ' '; } while (ch == ' '); if (ch == 'p') ch = 'P'; if (ch == 'b') ch = 'B'; if (strchr("10PB?",ch) != NULL){ anczero0[i] = (ch == '1') ? false : anczero0[i]; ancone0[i] = (ch == '0') ? false : ancone0[i]; } else { printf("BAD ANCESTOR STATE: %cAT CHARACTER %4ld\n", ch, i + 1); exxit(-1); } } scan_eoln(infile); } /* inputancestors */ void inputancestorsnew(boolean *anczero0, boolean *ancone0) { /* reads the ancestral states for each character */ /* used in dollop, dolmove, dolpenny, mix, move, & penny */ long i; Char ch; for (i = 0; i < (chars); i++) { anczero0[i] = true; ancone0[i] = true; do { if (eoln(ancfile)) scan_eoln(ancfile); ch = gettc(ancfile); if (ch == '\n') ch = ' '; } while (ch == ' '); if (ch == 'p') ch = 'P'; if (ch == 'b') ch = 'B'; if (strchr("10PB?",ch) != NULL){ anczero0[i] = (ch == '1') ? false : anczero0[i]; ancone0[i] = (ch == '0') ? false : ancone0[i]; } else { printf("BAD ANCESTOR STATE: %cAT CHARACTER %4ld\n", ch, i + 1); exxit(-1); } } scan_eoln(ancfile); } /* inputancestorsnew */ void printancestors(FILE *filename, boolean *anczero, boolean *ancone) { /* print out list of ancestral states */ /* used in dollop, dolmove, dolpenny, mix, move, & penny */ long i; fprintf(filename, " Ancestral states:\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', filename); for (i = 1; i <= (chars); i++) { newline(filename, i, 55, nmlngth + 3); if (ancone[i-1] && anczero[i-1]) putc('?', filename); else if (ancone[i-1]) putc('1', filename); else putc('0', filename); if (i % 5 == 0) putc(' ', filename); } fprintf(filename, "\n\n"); } /* printancestor */ void add(node *below, node *newtip, node *newfork, node **root, pointptr treenode) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant. The global variable root is also updated */ /* used in dollop & dolpenny */ if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (*root == below) *root = newfork; } /* add */ void add2(node *below, node *newtip, node *newfork, node **root, boolean restoring, boolean wasleft, pointptr treenode) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant */ /* used in move & dolmove */ boolean putleft; node *leftdesc, *rtdesc; if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; putleft = true; if (restoring) putleft = wasleft; if (putleft) { leftdesc = newtip; rtdesc = below; } else { leftdesc = below; rtdesc = newtip; } rtdesc->back = newfork->next->next; newfork->next->next->back = rtdesc; newfork->next->back = leftdesc; leftdesc->back = newfork->next; if (*root == below) *root = newfork; (*root)->back = NULL; } /* add2 */ void add3(node2 *below, node2 *newtip, node2 *newfork, node2 **root, pointptr2 treenode) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant. The global variable root is also updated */ /* used in mix & penny */ node2 *p; if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (*root == below) *root = newfork; (*root)->back = NULL; p = newfork; do { p->visited = false; p = p->back; if (p != NULL) p = treenode[p->index - 1]; } while (p != NULL); } /* add3 */ void re_move(node **item, node **fork, node **root, pointptr treenode) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork. The global variable root is also updated */ /* used in dollop & dolpenny */ node *p, *q; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = treenode[(*item)->back->index - 1]; if (*root == *fork) { if (*item == (*fork)->next->back) *root = (*fork)->next->next->back; else *root = (*fork)->next->back; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; } /* re_move */ void re_move2(node **item, node **fork, node **root, boolean *wasleft, pointptr treenode) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork */ /* used in move & dolmove */ node *p, *q; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = treenode[(*item)->back->index - 1]; if (*item == (*fork)->next->back) { if (*root == *fork) *root = (*fork)->next->next->back; (*wasleft) = true; } else { if (*root == *fork) *root = (*fork)->next->back; (*wasleft) = false; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; } /* re_move2 */ void re_move3(node2 **item, node2 **fork, node2 **root, pointptr2 treenode) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork. The global variable *root is also updated */ /* used in mix & penny */ node2 *p, *q; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = treenode[(*item)->back->index - 1]; if (*root == *fork) { if (*item == (*fork)->next->back) *root = (*fork)->next->next->back; else *root = (*fork)->next->back; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; q = (*fork)->back; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; if (q != NULL) q = treenode[q->index - 1]; while (q != NULL) { q-> visited = false; q = q->back; if (q != NULL) q = treenode[q->index - 1]; } } /* re_move3 */ void coordinates(node *p, long *tipy, double f, long *fartemp) { /* establishes coordinates of nodes */ /* used in dollop, dolpenny, dolmove, & move */ node *q, *first, *last; if (p->tip) { p->xcoord = 0; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; *tipy += down; return; } q = p->next; do { coordinates(q->back, tipy, f, fartemp); q = q->next; } while (p != q); first = p->next->back; q = p->next; while (q->next != p) q = q->next; last = q->back; p->xcoord = (last->ymax - first->ymin) * f; p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; if (p->xcoord > *fartemp) *fartemp = p->xcoord; } /* coordinates */ void coordinates2(node2 *p, long *tipy) { /* establishes coordinates2 of nodes */ node2 *q, *first, *last; if (p->tip) { p->xcoord = 0; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; return; } q = p->next; do { coordinates2(q->back, tipy); q = q->next; } while (p != q); first = p->next->back; q = p->next; while (q->next != p) q = q->next; last = q->back; p->xcoord = last->ymax - first->ymin; p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* coordinates2 */ void treeout(node *p, long nextree, long *col, node *root) { /* write out file with representation of final tree */ /* used in dollop, dolmove, dolpenny, & move */ long i, n; Char c; node *q; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { q = p->next; putc('(', outtree); (*col)++; while (q != p) { treeout(q->back, nextree, col, root); q = q->next; if (q == p) break; putc(',', outtree); (*col)++; if (*col > 65) { putc('\n', outtree); *col = 0; } } putc(')', outtree); (*col)++; } if (p != root) return; if (nextree > 2) fprintf(outtree, "[%6.4f];\n", 1.0 / (nextree - 1)); else fprintf(outtree, ";\n"); } /* treeout */ void treeout2(node2 *p, long *col, node2 *root) { /* write out file with representation of final tree */ /* used in mix & penny */ long i, n; Char c; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { putc('(', outtree); (*col)++; treeout2(p->next->back, col, root); putc(',', outtree); (*col)++; if (*col > 65) { putc('\n', outtree); *col = 0; } treeout2(p->next->next->back, col, root); putc(')', outtree); (*col)++; } if (p != root) return; if (nextree > 2) fprintf(outtree, "[%6.4f];\n", 1.0 / (nextree - 1)); else fprintf(outtree, ";\n"); } /* treeout2 */ void standev(long numtrees, long minwhich, double minsteps, double *nsteps, double **fsteps, longer seed) { /* compute and write standard deviation of user trees */ /* used in pars */ long i, j, k; double wt, sumw, sum, sum2, sd; double temp; double **covar, *P, *f; #define SAMPLES 1000 #define MAXSHIMOTREES 1000 /* ????? if numtrees too big for Shimo, truncate */ if (numtrees > maxuser) { printf("TOO MANY USER-DEFINED TREES"); printf(" test only performed in the first %ld of them\n", (long)maxuser); } else if (numtrees == 2) { fprintf(outfile, "Kishino-Hasegawa-Templeton test\n\n"); fprintf(outfile, "Tree Steps Diff Steps Its S.D."); fprintf(outfile, " Significantly worse?\n\n"); which = 1; while (which <= numtrees) { fprintf(outfile, "%3ld%10.1f", which, nsteps[which - 1]); if (minwhich == which) fprintf(outfile, " <------ best\n"); else { sumw = 0.0; sum = 0.0; sum2 = 0.0; for (i = 0; i < chars; i++) { if (weight[i] > 0) { wt = weight[i]; sumw += wt; temp = (fsteps[which - 1][i] - fsteps[minwhich - 1][i]); sum += temp; sum2 += temp * temp / wt; } } temp = sum / sumw; sd = sqrt(sumw / (sumw - 1.0) * (sum2 - temp * temp)); fprintf(outfile, "%10.1f%12.4f", (nsteps[which - 1] - minsteps) / 10, sd); if (sum > 1.95996 * sd) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } which++; } fprintf(outfile, "\n\n"); } else { /* Shimodaira-Hasegawa test using normal approximation */ fprintf(outfile, "Shimodaira-Hasegawa test\n\n"); covar = (double **)Malloc(numtrees*sizeof(double *)); for (i = 0; i < numtrees; i++) covar[i] = (double *)Malloc(numtrees*sizeof(double)); sumw = 0.0; for (i = 0; i < chars; i++) sumw += weight[i]; for (i = 0; i < numtrees; i++) { /* compute covariances of trees */ sum = nsteps[i]/sumw; for (j = 0; j <=i; j++) { sum2 = nsteps[j]/sumw; temp = 0.0; for (k = 0; k < chars; k++) { if (weight[k] > 0) temp = temp + weight[k]*(fsteps[i][k]-sum) *(fsteps[j][k]-sum2); } covar[i][j] = temp; if (i != j) covar[j][i] = temp; } } for (i = 0; i < numtrees; i++) { /* in-place Cholesky decomposition of trees x trees covariance matrix */ sum = 0.0; for (j = 0; j <= i-1; j++) sum = sum + covar[i][j] * covar[i][j]; if (covar[i][i]-sum <= 0.0) temp = 0.0; else temp = sqrt(covar[i][i] - sum); covar[i][i] = temp; for (j = i+1; j < numtrees; j++) { sum = 0.0; for (k = 0; k < i; k++) sum = sum + covar[i][k] * covar[j][k]; if (fabs(temp) < 1.0E-12) covar[j][i] = 0.0; else covar[j][i] = (covar[j][i] - sum)/temp; } } f = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ P = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ for (i = 0; i < numtrees; i++) P[i] = 0.0; sum2 = nsteps[0]; /* sum2 will be smallest # of steps */ for (i = 1; i < numtrees; i++) if (sum2 > nsteps[i]) sum2 = nsteps[i]; for (i = 1; i < SAMPLES; i++) { /* loop over resampled trees */ for (j = 0; j < numtrees; j++) { /* draw vectors */ sum = 0.0; for (k = 0; k <= j; k++) sum += normrand(seed)*covar[j][k]; f[j] = sum; } sum = f[1]; for (j = 1; j < numtrees; j++) /* get min of vector */ if (f[j] < sum) sum = f[j]; for (j = 0; j < numtrees; j++) /* accumulate P's */ if (nsteps[j]-sum2 < f[j] - sum) P[j] += 1.0/SAMPLES; } fprintf(outfile, "Tree Steps Diff Steps P value"); fprintf(outfile, " Significantly worse?\n\n"); for (i = 0; i < numtrees; i++) { fprintf(outfile, "%3ld%10.1f", i+1, nsteps[i]); if ((minwhich-1) == i) fprintf(outfile, " <------ best\n"); else { fprintf(outfile, " %9.1f %10.3f", nsteps[i]-sum2, P[i]); if (P[i] < 0.05) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } } fprintf(outfile, "\n"); free(P); /* free the variables we Malloc'ed */ free(f); for (i = 0; i < numtrees; i++) free(covar[i]); free(covar); } } /* standev */ void guesstates(Char *guess) { /* write best guesses of ancestral states */ /* used in dollop, dolpenny, mix, & penny */ long i, j; fprintf(outfile, "best guesses of ancestral states:\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%2ld", i); fprintf(outfile, "\n *--------------------\n"); for (i = 0; i <= (chars / 10); i++) { fprintf(outfile, "%5ld!", i * 10); for (j = 0; j <= 9; j++) { if (i * 10 + j == 0 || i * 10 + j > chars) fprintf(outfile, " "); else fprintf(outfile, " %c", guess[i * 10 + j - 1]); } putc('\n', outfile); } putc('\n', outfile); } /* guesstates */ void freegarbage(gbit **garbage) { /* used in dollop, dolpenny, mix, & penny */ gbit *p; while (*garbage) { p = *garbage; *garbage = (*garbage)->next; free(p->bits_); free(p); } } /* freegarbage */ void disc_gnu(gbit **p, gbit **grbg) { /* this is a do-it-yourself garbage collectors for move Make a new node or pull one off the garbage list */ if (*grbg != NULL) { *p = *grbg; *grbg = (*grbg)->next; } else { *p = (gbit *)Malloc(sizeof(gbit)); (*p)->bits_ = (bitptr)Malloc(words*sizeof(long)); } (*p)->next = NULL; } /* disc_gnu */ void disc_chuck(gbit *p, gbit **grbg) { /* collect garbage on p -- put it on front of garbage list */ p->next = *grbg; *grbg = p; } /* disc_chuck */ ./arbsrc_9167/GDE/PHYLIP/disc.h0000644012664100000130000000525011213220011015617 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* disc.h: included in mix, move, penny, dollop, dolmove, dolpenny, & clique */ /* node and pointptr used in Dollop, Dolmove, Dolpenny, Move, & Clique */ typedef node **pointptr; /* node and pointptr used in Mix & Penny */ typedef struct node2 { /* describes a tip species or an ancestor */ struct node2 *next, *back; long index; boolean tip, bottom,visited;/* present species are tips of tree */ bitptr fulstte1, fulstte0; /* see in PROCEDURE fillin */ bitptr empstte1, empstte0; /* see in PROCEDURE fillin */ bitptr fulsteps,empsteps; long xcoord, ycoord, ymin; /* used by printree */ long ymax; } node2; typedef node2 **pointptr2; typedef struct gbit { bitptr bits_; struct gbit *next; } gbit; typedef struct htrav_vars { node *r; boolean bottom, nonzero; gbit *zerobelow, *onebelow; } htrav_vars; typedef struct htrav_vars2 { node2 *r; boolean bottom, maybe, nonzero; gbit *zerobelow, *onebelow; } htrav_vars2; extern long chars, nonodes, nextree, which; /* nonodes = number of nodes in tree * * chars = number of binary characters */ extern steptr weight, extras; extern boolean printdata; #ifndef OLDC /*function prototypes*/ void inputdata(pointptr, boolean, boolean, FILE *); void inputdata2(pointptr2); void alloctree(pointptr *); void alloctree2(pointptr2 *); void setuptree(pointptr); void setuptree2(pointptr2); void inputancestors(boolean *, boolean *); void inputancestorsnew(boolean *, boolean *); void printancestors(FILE *, boolean *, boolean *); void add(node *, node *, node *, node **, pointptr); void add2(node *, node *, node *, node **, boolean, boolean, pointptr); void add3(node2 *, node2 *, node2 *, node2 **, pointptr2); void re_move(node **, node **, node **, pointptr); void re_move2(node **, node **, node **, boolean *, pointptr); void re_move3(node2 **, node2 **, node2 **, pointptr2); void coordinates(node *, long *, double , long *); void coordinates2(node2 *, long *); void treeout(node *, long, long *, node *); void treeout2(node2 *, long *, node2 *); void standev(long, long, double, double *, double **, longer); void guesstates(Char *); void freegarbage(gbit **); void disc_gnu(gbit **, gbit **); void disc_chuck(gbit *, gbit **); /*function prototypes*/ #endif ./arbsrc_9167/GDE/PHYLIP/discrete.c0000644012664100000130000023555011213220011016502 0ustar arb_buildcoders#include "phylip.h" #include "discrete.h" /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ long nonodes, endsite, outgrno, nextree, which; boolean interleaved, printdata, outgropt, treeprint, dotdiff; steptr weight, category, alias, location, ally; sequence y, convtab; void inputdata(long chars) { /* input the names and sequences for each species */ /* used by pars */ long i, j, k, l; long basesread=0, basesnew=0, nsymbol=0, convsymboli=0; Char charstate; boolean allread, done, found; if (printdata) headings(chars, "Sequences", "---------"); basesread = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp) { if ((interleaved && basesread == 0) || !interleaved) initname(i - 1); j = (interleaved) ? basesread : 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < chars && !(eoln(infile) || eoff(infile))) { charstate = gettc(infile); if (charstate == '\n') charstate = ' '; if (charstate == ' ') continue; if ((strchr("!\"#$%&'()*+,-./0123456789:;<=>?@\ ABCDEFGHIJKLMNOPQRSTUVWXYZ[\\]^_`\ abcdefghijklmnopqrstuvwxyz{|}~",charstate)) == NULL){ printf( "\n\nERROR: Bad base: %c at position %ld of species %ld\n\n", charstate, j+1, i); exxit(-1); } j++; y[i - 1][j - 1] = charstate; } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) basesnew = j; scan_eoln(infile); if ((interleaved && j != basesnew) || (!interleaved && j != chars)) { printf("\n\nERROR: Sequences out of alignment at position %ld\n\n", j); exxit(-1); } i++; } if (interleaved) { basesread = basesnew; allread = (basesread == chars); } else allread = (i > spp); } if (printdata) { for (i = 1; i <= ((chars - 1) / 60 + 1); i++) { for (j = 1; j <= spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j - 1][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > chars) l = chars; for (k = (i - 1) * 60 + 1; k <= l; k++) { if (dotdiff && (j > 1 && y[j - 1][k - 1] == y[0][k - 1])) charstate = '.'; else charstate = y[j - 1][k - 1]; putc(charstate, outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } for (i = 1; i <= chars; i++) { nsymbol = 0; for (j = 1; j <= spp; j++) { if ((nsymbol == 0) && (y[j - 1][i - 1] != '?')) { nsymbol = 1; convsymboli = 1; convtab[0][i-1] = y[j-1][i-1]; } else if (y[j - 1][i - 1] != '?'){ found = false; for (k = 1; k <= nsymbol; k++) { if (convtab[k - 1][i - 1] == y[j - 1][i - 1]) { found = true; convsymboli = k; } } if (!found) { nsymbol++; convtab[nsymbol-1][i - 1] = y[j - 1][i - 1]; convsymboli = nsymbol; } } if (nsymbol <= 8) { if (y[j - 1][i - 1] != '?') y[j - 1][i - 1] = (Char)('0' + (convsymboli - 1)); } else { printf( "\n\nERROR: More than maximum of 8 symbols in column %ld\n\n", i); exxit(-1); } } } } /* inputdata */ void alloctree(pointarray *treenode, long nonodes, boolean usertree) { /* allocate treenode dynamically */ /* used in pars */ long i, j; node *p, *q; *treenode = (pointarray)Malloc(nonodes*sizeof(node *)); for (i = 0; i < spp; i++) { (*treenode)[i] = (node *)Malloc(sizeof(node)); (*treenode)[i]->tip = true; (*treenode)[i]->index = i+1; (*treenode)[i]->iter = true; (*treenode)[i]->branchnum = i+1; (*treenode)[i]->initialized = true; } if (!usertree) for (i = spp; i < nonodes; i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node *)Malloc(sizeof(node)); p->tip = false; p->index = i+1; p->iter = true; p->branchnum = i+1; p->initialized = false; p->next = q; q = p; } p->next->next->next = p; (*treenode)[i] = p; } } /* alloctree */ void setuptree(pointarray treenode, long nonodes, boolean usertree) { /* initialize treenodes */ long i; node *p; for (i = 1; i <= nonodes; i++) { if (i <= spp || !usertree) { treenode[i-1]->back = NULL; treenode[i-1]->tip = (i <= spp); treenode[i-1]->index = i; treenode[i-1]->numdesc = 0; treenode[i-1]->iter = true; treenode[i-1]->initialized = true; } } if (!usertree) { for (i = spp + 1; i <= nonodes; i++) { p = treenode[i-1]->next; while (p != treenode[i-1]) { p->back = NULL; p->tip = false; p->index = i; p->numdesc = 0; p->iter = true; p->initialized = false; p = p->next; } } } } /* setuptree */ void alloctip(node *p, long *zeros, unsigned char *zeros2) { /* allocate a tip node */ /* used by pars */ p->numsteps = (steptr)Malloc(endsite*sizeof(long)); p->oldnumsteps = (steptr)Malloc(endsite*sizeof(long)); p->discbase = (discbaseptr)Malloc(endsite*sizeof(unsigned char)); p->olddiscbase = (discbaseptr)Malloc(endsite*sizeof(unsigned char)); memcpy(p->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(p->numsteps, zeros, endsite*sizeof(long)); memcpy(p->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(p->oldnumsteps, zeros, endsite*sizeof(long)); } /* alloctip */ void sitesort(long chars, steptr weight) { /* Shell sort keeping sites, weights in same order */ /* used in pars */ long gap, i, j, jj, jg, k, itemp; boolean flip, tied; gap = chars / 2; while (gap > 0) { for (i = gap + 1; i <= chars; i++) { j = i - gap; flip = true; while (j > 0 && flip) { jj = alias[j - 1]; jg = alias[j + gap - 1]; tied = true; k = 1; while (k <= spp && tied) { flip = (y[k - 1][jj - 1] > y[k - 1][jg - 1]); tied = (tied && y[k - 1][jj - 1] == y[k - 1][jg - 1]); k++; } if (!flip) break; itemp = alias[j - 1]; alias[j - 1] = alias[j + gap - 1]; alias[j + gap - 1] = itemp; itemp = weight[j - 1]; weight[j - 1] = weight[j + gap - 1]; weight[j + gap - 1] = itemp; j -= gap; } } gap /= 2; } } /* sitesort */ void sitecombine(long chars) { /* combine sites that have identical patterns */ /* used in pars */ long i, j, k; boolean tied; i = 1; while (i < chars) { j = i + 1; tied = true; while (j <= chars && tied) { k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i - 1] - 1] == y[k - 1][alias[j - 1] - 1]); k++; } if (tied) { weight[i - 1] += weight[j - 1]; weight[j - 1] = 0; ally[alias[j - 1] - 1] = alias[i - 1]; } j++; } i = j - 1; } } /* sitecombine */ void sitescrunch(long chars) { /* move so one representative of each pattern of sites comes first */ /* used in pars */ long i, j, itemp; boolean done, found; done = false; i = 1; j = 2; while (!done) { if (ally[alias[i - 1] - 1] != alias[i - 1]) { if (j <= i) j = i + 1; if (j <= chars) { found = false; do { found = (ally[alias[j - 1] - 1] == alias[j - 1]); j++; } while (!(found || j > chars)); if (found) { j--; itemp = alias[i - 1]; alias[i - 1] = alias[j - 1]; alias[j - 1] = itemp; itemp = weight[i - 1]; weight[i - 1] = weight[j - 1]; weight[j - 1] = itemp; } else done = true; } else done = true; } i++; done = (done || i >= chars); } } /* sitescrunch */ void makevalues(pointarray treenode, long *zeros, unsigned char *zeros2, boolean usertree) { /* set up fractional likelihoods at tips */ /* used by pars */ long i, j; unsigned char ns=0; node *p; setuptree(treenode, nonodes, usertree); for (i = 0; i < spp; i++) alloctip(treenode[i], zeros, zeros2); if (!usertree) { for (i = spp; i < nonodes; i++) { p = treenode[i]; do { allocdiscnontip(p, zeros, zeros2, endsite); p = p->next; } while (p != treenode[i]); } } for (j = 0; j < endsite; j++) { for (i = 0; i < spp; i++) { switch (y[i][alias[j] - 1]) { case '0': ns = 1 << zero; break; case '1': ns = 1 << one; break; case '2': ns = 1 << two; break; case '3': ns = 1 << three; break; case '4': ns = 1 << four; break; case '5': ns = 1 << five; break; case '6': ns = 1 << six; break; case '7': ns = 1 << seven; break; case '?': ns = (1 << zero) | (1 << one) | (1 << two) | (1 << three) | (1 << four) | (1 << five) | (1 << six) | (1 << seven); break; } treenode[i]->discbase[j] = ns; treenode[i]->numsteps[j] = 0; } } } /* makevalues */ void fillin(node *p, node *left, node *rt) { /* sets up for each node in the tree the base sequence at that point and counts the changes. */ long i, j, k, n; node *q; if (!left) { memcpy(p->discbase, rt->discbase, endsite*sizeof(unsigned char)); memcpy(p->numsteps, rt->numsteps, endsite*sizeof(long)); q = rt; } else if (!rt) { memcpy(p->discbase, left->discbase, endsite*sizeof(unsigned char)); memcpy(p->numsteps, left->numsteps, endsite*sizeof(long)); q = left; } else { for (i = 0; i < endsite; i++) { p->discbase[i] = left->discbase[i] & rt->discbase[i]; p->numsteps[i] = left->numsteps[i] + rt->numsteps[i]; if (p->discbase[i] == 0) { p->discbase[i] = left->discbase[i] | rt->discbase[i]; p->numsteps[i] += weight[i]; } } q = rt; } if (left && rt) n = 2; else n = 1; for (i = 0; i < endsite; i++) for (j = (long)zero; j <= (long)seven; j++) p->discnumnuc[i][j] = 0; for (k = 1; k <= n; k++) { if (k == 2) q = left; for (i = 0; i < endsite; i++) { for (j = (long)zero; j <= (long)seven; j++) { if (q->discbase[i] & (1 << j)) p->discnumnuc[i][j]++; } } } } /* fillin */ long getlargest(long *discnumnuc) { /* find the largest in array numnuc */ long i, largest; largest = 0; for (i = (long)zero; i <= (long)seven; i++) if (discnumnuc[i] > largest) largest = discnumnuc[i]; return largest; } /* getlargest */ void multifillin(node *p, node *q, long dnumdesc) { /* sets up for each node in the tree the base sequence at that point and counts the changes according to the changes in q's base */ long i, j, largest, descsteps; unsigned char b; memcpy(p->olddiscbase, p->discbase, endsite*sizeof(unsigned char)); memcpy(p->oldnumsteps, p->numsteps, endsite*sizeof(long)); for (i = 0; i < endsite; i++) { descsteps = 0; for (j = (long)zero; j <= (long)seven; j++) { b = 1 << j; if ((descsteps == 0) && (p->discbase[i] & b)) descsteps = p->numsteps[i] - (p->numdesc - dnumdesc - p->discnumnuc[i][j]) * weight[i]; } if (dnumdesc == -1) descsteps -= q->oldnumsteps[i]; else if (dnumdesc == 0) descsteps += (q->numsteps[i] - q->oldnumsteps[i]); else descsteps += q->numsteps[i]; if (q->olddiscbase[i] != q->discbase[i]) { for (j = (long)zero; j <= (long)seven; j++) { b = 1 << j; if ((q->olddiscbase[i] & b) && !(q->discbase[i] & b)) p->discnumnuc[i][j]--; else if (!(q->olddiscbase[i] & b) && (q->discbase[i] & b)) p->discnumnuc[i][j]++; } } largest = getlargest(p->discnumnuc[i]); if (q->olddiscbase[i] != q->discbase[i]) { p->discbase[i] = 0; for (j = (long)zero; j <= (long)seven; j++) { if (p->discnumnuc[i][j] == largest) p->discbase[i] |= (1 << j); } } p->numsteps[i] = (p->numdesc - largest) * weight[i] + descsteps; } } /* multifillin */ void sumnsteps(node *p, node *left, node *rt, long a, long b) { /* sets up for each node in the tree the base sequence at that point and counts the changes. */ long i; unsigned char ns, rs, ls; if (!left) { memcpy(p->numsteps, rt->numsteps, endsite*sizeof(long)); memcpy(p->discbase, rt->discbase, endsite*sizeof(unsigned char)); } else if (!rt) { memcpy(p->numsteps, left->numsteps, endsite*sizeof(long)); memcpy(p->discbase, left->discbase, endsite*sizeof(unsigned char)); } else for (i = a; i < b; i++) { ls = left->discbase[i]; rs = rt->discbase[i]; ns = ls & rs; p->numsteps[i] = left->numsteps[i] + rt->numsteps[i]; if (ns == 0) { ns = ls | rs; p->numsteps[i] += weight[i]; } p->discbase[i] = ns; } } /* sumnsteps */ void sumnsteps2(node *p, node *left, node *rt, long a, long b, long *threshwt) { /* counts the changes at each node. */ long i, steps; unsigned char ns, rs, ls; long term; if (a == 0) p->sumsteps = 0.0; if (!left) memcpy(p->numsteps, rt->numsteps, endsite*sizeof(long)); else if (!rt) memcpy(p->numsteps, left->numsteps, endsite*sizeof(long)); else for (i = a; i < b; i++) { ls = left->discbase[i]; rs = rt->discbase[i]; ns = ls & rs; p->numsteps[i] = left->numsteps[i] + rt->numsteps[i]; if (ns == 0) p->numsteps[i] += weight[i]; } for (i = a; i < b; i++) { steps = p->numsteps[i]; if ((long)steps <= threshwt[i]) term = steps; else term = threshwt[i]; p->sumsteps += (double)term; } } /* sumnsteps2 */ void multisumnsteps(node *p, node *q, long a, long b, long *threshwt) { /* sets up for each node in the tree the base sequence at that point and counts the changes according to the changes in q's base */ long i, j, steps, largest, descsteps; long term; if (a == 0) p->sumsteps = 0.0; for (i = a; i < b; i++) { largest = getlargest(p->discnumnuc[i]); descsteps = 0; for (j = (long)zero; j <= (long)seven; j++) { if ((descsteps == 0) && (p->discbase[i] & (1 << j))) descsteps = p->numsteps[i] - (p->numdesc - 1 - p->discnumnuc[i][j]) * weight[i]; } descsteps += q->numsteps[i]; largest = 0; for (j = (long)zero; j <= (long)seven; j++) { if (q->discbase[i] & (1 << j)) p->discnumnuc[i][j]++; if (p->discnumnuc[i][j] > largest) largest = p->discnumnuc[i][j]; } steps = ((p->numdesc - largest) * weight[i] + descsteps); if ((long)steps <= threshwt[i]) term = steps; else term = threshwt[i]; p->sumsteps += (double)term; } } /* multisumnsteps */ void multisumnsteps2(node *p) { /* counts the changes at each multi-way node. Sums up steps of all descendants */ long i, j, largest; node *q; discbaseptr b; for (i = 0; i < endsite; i++) { p->numsteps[i] = 0; q = p->next; while (q != p) { if (q->back) { p->numsteps[i] += q->back->numsteps[i]; b = q->back->discbase; for (j = (long)zero; j <= (long)seven; j++) if (b[i] & (1 << j)) p->discnumnuc[i][j]++; } q = q->next; } largest = getlargest(p->discnumnuc[i]); p->numsteps[i] += ((p->numdesc - largest) * weight[i]); p->discbase[i] = 0; for (j = (long)zero; j <= (long)seven; j++) { if (p->discnumnuc[i][j] == largest) p->discbase[i] |= (1 << j); } } } /* multisumnsteps2 */ boolean alltips(node *forknode, node *p) { /* returns true if all descendants of forknode except p are tips; false otherwise. */ node *q, *r; boolean tips; tips = true; r = forknode; q = forknode->next; do { if (q->back && q->back != p && !q->back->tip) tips = false; q = q->next; } while (tips && q != r); return tips; } /* alltips */ void gdispose(node *p, node **grbg, pointarray treenode) { /* go through tree throwing away nodes */ node *q, *r; p->back = NULL; if (p->tip) return; treenode[p->index - 1] = NULL; q = p->next; while (q != p) { gdispose(q->back, grbg, treenode); q->back = NULL; r = q; q = q->next; chucktreenode(grbg, r); } chucktreenode(grbg, q); } /* gdispose */ void preorder(node *p, node *r, node *root, node *removing, node *adding, node *changing, long dnumdesc) { /* recompute number of steps in preorder taking both ancestoral and descendent steps into account. removing points to a node being removed, if any */ node *q, *p1, *p2; if (p && !p->tip && p != adding) { q = p; do { if (p->back != r) { if (p->numdesc > 2) { if (changing) multifillin (p, r, dnumdesc); else multifillin (p, r, 0); } else { p1 = p->next; if (!removing) while (!p1->back) p1 = p1->next; else while (!p1->back || p1->back == removing) p1 = p1->next; p2 = p1->next; if (!removing) while (!p2->back) p2 = p2->next; else while (!p2->back || p2->back == removing) p2 = p2->next; p1 = p1->back; p2 = p2->back; if (p->back == p1) p1 = NULL; else if (p->back == p2) p2 = NULL; memcpy(p->olddiscbase, p->discbase, endsite*sizeof(unsigned char)); memcpy(p->oldnumsteps, p->numsteps, endsite*sizeof(long)); fillin(p, p1, p2); } } p = p->next; } while (p != q); q = p; do { preorder(p->next->back, p->next, root, removing, adding, NULL, 0); p = p->next; } while (p->next != q); } } /* preorder */ void updatenumdesc(node *p, node *root, long n) { /* set p's numdesc to n. If p is the root, numdesc of p's descendants are set to n-1. */ node *q; q = p; if (p == root && n > 0) { p->numdesc = n; n--; q = q->next; } do { q->numdesc = n; q = q->next; } while (q != p); } void add(node *below, node *newtip, node *newfork, node **root, boolean recompute, pointarray treenode, node **grbg, long *zeros, unsigned char *zeros2) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant. if newfork is NULL, newtip is added as below's sibling */ /* used in pars */ node *p; if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (newfork) { if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (*root == below) *root = newfork; updatenumdesc(newfork, *root, 2); } else { gnudisctreenode(grbg, &p, below->index, endsite, zeros, zeros2); p->back = newtip; newtip->back = p; p->next = below->next; below->next = p; updatenumdesc(below, *root, below->numdesc + 1); } if (!newtip->tip) updatenumdesc(newtip, *root, newtip->numdesc); (*root)->back = NULL; if (!recompute) return; if (!newfork) { memcpy(newtip->back->discbase, below->discbase, endsite*sizeof(unsigned char)); memcpy(newtip->back->numsteps, below->numsteps, endsite*sizeof(long)); memcpy(newtip->back->discnumnuc, below->discnumnuc, endsite*sizeof(discnucarray)); if (below != *root) { memcpy(below->back->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(below->back->oldnumsteps, zeros, endsite*sizeof(long)); multifillin(newtip->back, below->back, 1); } if (!newtip->tip) { memcpy(newtip->back->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(newtip->back->oldnumsteps, zeros, endsite*sizeof(long)); preorder(newtip, newtip->back, *root, NULL, NULL, below, 1); } memcpy(newtip->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(newtip->oldnumsteps, zeros, endsite*sizeof(long)); preorder(below, newtip, *root, NULL, newtip, below, 1); if (below != *root) preorder(below->back, below, *root, NULL, NULL, NULL, 0); } else { fillin(newtip->back, newtip->back->next->back, newtip->back->next->next->back); if (!newtip->tip) { memcpy(newtip->back->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(newtip->back->oldnumsteps, zeros, endsite*sizeof(long)); preorder(newtip, newtip->back, *root, NULL, NULL, newfork, 1); } if (newfork != *root) { memcpy(below->back->discbase, newfork->back->discbase, endsite*sizeof(unsigned char)); memcpy(below->back->numsteps, newfork->back->numsteps, endsite*sizeof(long)); preorder(newfork, newtip, *root, NULL, newtip, NULL, 0); } else { fillin(below->back, newtip, NULL); fillin(newfork, newtip, below); memcpy(below->back->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(below->back->oldnumsteps, zeros, endsite*sizeof(long)); preorder(below, below->back, *root, NULL, NULL, newfork, 1); } if (newfork != *root) { memcpy(newfork->olddiscbase, below->discbase, endsite*sizeof(unsigned char)); memcpy(newfork->oldnumsteps, below->numsteps, endsite*sizeof(long)); preorder(newfork->back, newfork, *root, NULL, NULL, NULL, 0); } } } /* add */ void findbelow(node **below, node *item, node *fork) { /* decide which of fork's binary children is below */ if (fork->next->back == item) *below = fork->next->next->back; else *below = fork->next->back; } /* findbelow */ void re_move(node *item, node **fork, node **root, boolean recompute, pointarray treenode, node **grbg, long *zeros, unsigned char *zeros2) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork. If item belongs to a node with more than 2 descendants, fork will not be deleted */ /* used in pars */ node *p, *q, *other, *otherback = NULL; if (item->back == NULL) { *fork = NULL; return; } *fork = treenode[item->back->index - 1]; if ((*fork)->numdesc == 2) { updatenumdesc(*fork, *root, 0); findbelow(&other, item, *fork); otherback = other->back; if (*root == *fork) { if (other->tip) *root = NULL; else { *root = other; updatenumdesc(other, *root, other->numdesc); } } p = item->back->next->back; q = item->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } } else { updatenumdesc(*fork, *root, (*fork)->numdesc - 1); p = *fork; while (p->next != item->back) p = p->next; p->next = item->back->next; } if (!item->tip) { updatenumdesc(item, item, item->numdesc); if (recompute) { memcpy(item->back->olddiscbase, item->back->discbase, endsite*sizeof(unsigned char)); memcpy(item->back->oldnumsteps, item->back->numsteps, endsite*sizeof(long)); memcpy(item->back->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(item->back->numsteps, zeros, endsite*sizeof(long)); preorder(item, item->back, *root, item->back, NULL, item, -1); } } if ((*fork)->numdesc >= 2) chucktreenode(grbg, item->back); item->back = NULL; if (!recompute) return; if ((*fork)->numdesc == 0) { memcpy(otherback->olddiscbase, otherback->discbase, endsite*sizeof(unsigned char)); memcpy(otherback->oldnumsteps, otherback->numsteps, endsite*sizeof(long)); if (other == *root) { memcpy(otherback->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(otherback->numsteps, zeros, endsite*sizeof(long)); } else { memcpy(otherback->discbase, other->back->discbase, endsite*sizeof(unsigned char)); memcpy(otherback->numsteps, other->back->numsteps, endsite*sizeof(long)); } p = other->back; other->back = otherback; if (other == *root) preorder(other, otherback, *root, otherback, NULL, other, -1); else preorder(other, otherback, *root, NULL, NULL, NULL, 0); other->back = p; if (other != *root) { memcpy(other->olddiscbase,(*fork)->discbase, endsite*sizeof(unsigned char)); memcpy(other->oldnumsteps,(*fork)->numsteps, endsite*sizeof(long)); preorder(other->back, other, *root, NULL, NULL, NULL, 0); } } else { memcpy(item->olddiscbase, item->discbase, endsite*sizeof(unsigned char)); memcpy(item->oldnumsteps, item->numsteps, endsite*sizeof(long)); memcpy(item->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(item->numsteps, zeros, endsite*sizeof(long)); preorder(*fork, item, *root, NULL, NULL, *fork, -1); if (*fork != *root) preorder((*fork)->back, *fork, *root, NULL, NULL, NULL, 0); memcpy(item->discbase, item->olddiscbase, endsite*sizeof(unsigned char)); memcpy(item->numsteps, item->oldnumsteps, endsite*sizeof(long)); } } /* re_move */ void postorder(node *p) { /* traverses an n-ary tree, suming up steps at a node's descendants */ /* used in pars */ node *q; if (p->tip) return; q = p->next; while (q != p) { postorder(q->back); q = q->next; } zerodiscnumnuc(p, endsite); if (p->numdesc > 2) multisumnsteps2(p); else fillin(p, p->next->back, p->next->next->back); } /* postorder */ void getnufork(node **nufork, node **grbg, pointarray treenode, long *zeros, unsigned char *zeros2) { /* find a fork not used currently */ long i; i = spp; while (treenode[i] && treenode[i]->numdesc > 0) i++; if (!treenode[i]) gnudisctreenode(grbg, &treenode[i], i, endsite, zeros, zeros2); *nufork = treenode[i]; } /* getnufork */ void reroot(node *outgroup, node *root) { /* reorients tree, putting outgroup in desired position. used if the root is binary. */ /* used in pars */ node *p, *q; if (outgroup->back->index == root->index) return; p = root->next; q = root->next->next; p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; outgroup->back->back = q; outgroup->back = p; } /* reroot */ void reroot2(node *outgroup, node *root) { /* reorients tree, putting outgroup in desired position. */ /* used in pars */ node *p; p = outgroup->back->next; while (p->next != outgroup->back) p = p->next; root->next = outgroup->back; p->next = root; } /* reroot2 */ void reroot3(node *outgroup,node *root,node *root2,node *lastdesc,node **grbg) { /* reorients tree, putting back outgroup in original position. */ /* used in pars */ node *p; p = root->next; while (p->next != root) p = p->next; chucktreenode(grbg, root); p->next = outgroup->back; root2->next = lastdesc->next; lastdesc->next = root2; } /* reroot3 */ void savetraverse(node *p) { /* sets BOOLEANs that indicate which way is down */ node *q; p->bottom = true; if (p->tip) return; q = p->next; while (q != p) { q->bottom = false; savetraverse(q->back); q = q->next; } } /* savetraverse */ void newindex(long i, node *p) { /* assigns index i to node p */ while (p->index != i) { p->index = i; p = p->next; } } /* newindex */ void flipindexes(long nextnode, pointarray treenode) { /* flips index of nodes between nextnode and last node. */ long last; node *temp; last = nonodes; while (treenode[last - 1]->numdesc == 0) last--; if (last > nextnode) { temp = treenode[nextnode - 1]; treenode[nextnode - 1] = treenode[last - 1]; treenode[last - 1] = temp; newindex(nextnode, treenode[nextnode - 1]); newindex(last, treenode[last - 1]); } } /* flipindexes */ boolean parentinmulti(node *anode) { /* sees if anode's parent has more than 2 children */ node *p; while (!anode->bottom) anode = anode->next; p = anode->back; while (!p->bottom) p = p->next; return (p->numdesc > 2); } /* parentinmulti */ long sibsvisited(node *anode, long *place) { /* computes the number of nodes which are visited earlier than anode among its siblings */ node *p; long nvisited; while (!anode->bottom) anode = anode->next; p = anode->back->next; nvisited = 0; do { if (!p->bottom && place[p->back->index - 1] != 0) nvisited++; p = p->next; } while (p != anode->back); return nvisited; } /* sibsvisited */ long smallest(node *anode, long *place) { /* finds the smallest index of sibling of anode */ node *p; long min; while (!anode->bottom) anode = anode->next; p = anode->back->next; if (p->bottom) p = p->next; min = nonodes; do { if (p->back && place[p->back->index - 1] != 0) { if (p->back->index <= spp) { if (p->back->index < min) min = p->back->index; } else { if (place[p->back->index - 1] < min) min = place[p->back->index - 1]; } } p = p->next; if (p->bottom) p = p->next; } while (p != anode->back); return min; } /* smallest */ void bintomulti(node **root, node **binroot, node **grbg, long *zeros, unsigned char *zeros2) { /* attaches root's left child to its right child and makes the right child new root */ node *left, *right, *newnode, *temp; right = (*root)->next->next->back; left = (*root)->next->back; if (right->tip) { (*root)->next = right->back; (*root)->next->next = left->back; temp = left; left = right; right = temp; right->back->next = *root; } gnudisctreenode(grbg, &newnode, right->index, endsite, zeros, zeros2); newnode->next = right->next; newnode->back = left; left->back = newnode; right->next = newnode; (*root)->next->back = (*root)->next->next->back = NULL; *binroot = *root; (*binroot)->numdesc = 0; *root = right; (*root)->numdesc++; (*root)->back = NULL; } /* bintomulti */ void backtobinary(node **root, node *binroot, node **grbg) { /* restores binary root */ node *p; binroot->next->back = (*root)->next->back; (*root)->next->back->back = binroot->next; p = (*root)->next; (*root)->next = p->next; binroot->next->next->back = *root; (*root)->back = binroot->next->next; chucktreenode(grbg, p); (*root)->numdesc--; *root = binroot; (*root)->numdesc = 2; } /* backtobinary */ boolean outgrin(node *root, node *outgrnode) { /* checks if outgroup node is a child of root */ node *p; p = root->next; while (p != root) { if (p->back == outgrnode) return true; p = p->next; } return false; } /* outgrin */ void flipnodes(node *nodea, node *nodeb) { /* flip nodes */ node *backa, *backb; backa = nodea->back; backb = nodeb->back; backa->back = nodeb; backb->back = nodea; nodea->back = backb; nodeb->back = backa; } /* flipnodes */ void moveleft(node *root, node *outgrnode, node **flipback) { /* makes outgroup node to leftmost child of root */ node *p; boolean done; p = root->next; done = false; while (p != root && !done) { if (p->back == outgrnode) { *flipback = p; flipnodes(root->next->back, p->back); done = true; } p = p->next; } } /* moveleft */ void savetree(node *root, long *place, pointarray treenode, node **grbg, long *zeros, unsigned char *zeros2) { /* record in place where each species has to be added to reconstruct this tree */ /* used by pars */ long i, j, nextnode, nvisited; node *p, *q, *r = NULL, *rute, *root2, *lastdesc, *outgrnode, *binroot, *flipback; boolean done, newfork, newnode; rute = root->next->back; binroot = NULL; lastdesc = NULL; root2 = NULL; flipback = NULL; outgrnode = treenode[outgrno - 1]; if (root->numdesc == 2) bintomulti(&root, &binroot, grbg, zeros, zeros2); if (outgrin(root, outgrnode)) { if (outgrnode != root->next->back) moveleft(root, outgrnode, &flipback); } else { root2 = root; lastdesc = root->next; while (lastdesc->next != root) lastdesc = lastdesc->next; lastdesc->next = root->next; gnudisctreenode(grbg, &root, outgrnode->back->index, endsite, zeros, zeros2); root->numdesc = root2->numdesc; reroot2(outgrnode, root); } savetraverse(root); nextnode = spp + 1; for (i = nextnode; i <= nonodes; i++) if (treenode[i - 1]->numdesc == 0) flipindexes(i, treenode); for (i = 0; i < nonodes; i++) place[i] = 0; place[root->index - 1] = 1; for (i = 1; i <= spp; i++) { p = treenode[i - 1]; while (place[p->index - 1] == 0) { place[p->index - 1] = i; while (!p->bottom) p = p->next; r = p; p = p->back; } if (i > 1) { q = treenode[i - 1]; newfork = true; newnode = true; nvisited = sibsvisited(q, place); if (nvisited == 0) { if (parentinmulti(r)) { nvisited = sibsvisited(r, place); if (nvisited == 0) place[i - 1] = place[p->index - 1]; else if (nvisited == 1) place[i - 1] = smallest(r, place); else { place[i - 1] = -smallest(r, place); newfork = false; } } else place[i - 1] = place[p->index - 1]; } else if (nvisited == 1) { place[i - 1] = place[p->index - 1]; } else { place[i - 1] = -smallest(q, place); newfork = false; } if (newfork) { j = place[p->index - 1]; done = false; while (!done) { place[p->index - 1] = nextnode; while (!p->bottom) p = p->next; p = p->back; done = (p == NULL); if (!done) done = (place[p->index - 1] != j); if (done) { nextnode++; } } } } } if (flipback) flipnodes(outgrnode, flipback->back); else { if (root2) { reroot3(outgrnode, root, root2, lastdesc, grbg); root = root2; } } if (binroot) backtobinary(&root, binroot, grbg); } /* savetree */ void addnsave(node *p, node *item, node *nufork, node **root, node **grbg, boolean multf, pointarray treenode, long *place, long *zeros, unsigned char *zeros2) { /* adds item to tree and save it. Then removes item. */ node *dummy; if (!multf) add(p, item, nufork, root, false, treenode, grbg, zeros, zeros2); else add(p, item, NULL, root, false, treenode, grbg, zeros, zeros2); savetree(*root, place, treenode, grbg, zeros, zeros2); if (!multf) re_move(item, &nufork, root, false, treenode, grbg, zeros, zeros2); else re_move(item, &dummy, root, false, treenode, grbg, zeros, zeros2); } /* addnsave */ void addbestever(long *pos, long *nextree, long maxtrees, boolean collapse, long *place, bestelm *bestrees) { /* adds first best tree */ *pos = 1; *nextree = 1; initbestrees(bestrees, maxtrees, true); initbestrees(bestrees, maxtrees, false); addtree(*pos, nextree, collapse, place, bestrees); } /* addbestever */ void addtiedtree(long pos, long *nextree, long maxtrees, boolean collapse, long *place, bestelm *bestrees) { /* add tied tree */ if (*nextree <= maxtrees) addtree(pos, nextree, collapse, place, bestrees); } /* addtiedtree */ void clearcollapse(pointarray treenode) { /* clears collapse status at a node */ long i; node *p; for (i = 0; i < nonodes; i++) { treenode[i]->collapse = undefined; if (!treenode[i]->tip) { p = treenode[i]->next; while (p != treenode[i]) { p->collapse = undefined; p = p->next; } } } } /* clearcollapse */ void clearbottom(pointarray treenode) { /* clears boolean bottom at a node */ long i; node *p; for (i = 0; i < nonodes; i++) { treenode[i]->bottom = false; if (!treenode[i]->tip) { p = treenode[i]->next; while (p != treenode[i]) { p->bottom = false; p = p->next; } } } } /* clearbottom */ void collabranch(node *collapfrom, node *tempfrom, node *tempto) { /* collapse branch from collapfrom */ long i, j, largest, descsteps; boolean done; unsigned char b; for (i = 0; i < endsite; i++) { largest = getlargest(collapfrom->discnumnuc[i]); descsteps = 0; for (j = (long)zero; j <= (long)seven; j++) { b = 1 << j; if ((descsteps == 0) && (collapfrom->discbase[i] & b)) descsteps = tempfrom->oldnumsteps[i] - (collapfrom->numdesc - collapfrom->discnumnuc[i][j]) * weight[i]; } largest = getlargest(tempto->discnumnuc[i]); done = false; for (j = (long)zero; j <= (long)seven; j++) { b = 1 << j; if (!done && (tempto->discbase[i] & b)) { descsteps += (tempto->numsteps[i] - (tempto->numdesc - collapfrom->numdesc - tempto->discnumnuc[i][j]) * weight[i]); done = true; } } for (j = (long)zero; j <= (long)seven; j++) tempto->discnumnuc[i][j] += collapfrom->discnumnuc[i][j]; largest = getlargest(tempto->discnumnuc[i]); tempto->discbase[i] = 0; for (j = (long)zero; j <= (long)seven; j++) { if (tempto->discnumnuc[i][j] == largest) tempto->discbase[i] |= (1 << j); } tempto->numsteps[i] = (tempto->numdesc - largest) * weight[i] + descsteps; } } /* collabranch */ boolean allcommonbases(node *a, node *b, boolean *allsame) { /* see if bases are common at all sites for nodes a and b */ long i; boolean allcommon; allcommon = true; *allsame = true; for (i = 0; i < endsite; i++) { if ((a->discbase[i] & b->discbase[i]) == 0) allcommon = false; else if (a->discbase[i] != b->discbase[i]) *allsame = false; } return allcommon; } /* allcommonbases */ void findbottom(node *p, node **bottom) { /* find a node with field bottom set at node p */ node *q; if (p->bottom) *bottom = p; else { q = p->next; while(!q->bottom && q != p) q = q->next; *bottom = q; } } /* findbottom */ boolean moresteps(node *a, node *b) { /* see if numsteps of node a exceeds those of node b */ long i; for (i = 0; i < endsite; i++) if (a->numsteps[i] > b->numsteps[i]) return true; return false; } /* moresteps */ boolean passdown(node *desc, node *parent, node *start, node *below, node *item, node *added, node *total, node *tempdsc, node *tempprt, boolean multf) { /* track down to node start to see if an ancestor branch can be collapsed */ node *temp; boolean done, allsame; done = (parent == start); while (!done) { desc = parent; findbottom(parent->back, &parent); if (multf && start == below && parent == below) parent = added; memcpy(tempdsc->discbase, tempprt->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->numsteps, tempprt->numsteps, endsite*sizeof(long)); memcpy(tempdsc->olddiscbase, desc->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->oldnumsteps, desc->numsteps, endsite*sizeof(long)); memcpy(tempprt->discbase, parent->discbase, endsite*sizeof(unsigned char)); memcpy(tempprt->numsteps, parent->numsteps, endsite*sizeof(long)); memcpy(tempprt->discnumnuc, parent->discnumnuc, endsite*sizeof(discnucarray)); tempprt->numdesc = parent->numdesc; multifillin(tempprt, tempdsc, 0); if (!allcommonbases(tempprt, parent, &allsame)) return false; else if (moresteps(tempprt, parent)) return false; else if (allsame) return true; if (parent == added) parent = below; done = (parent == start); if (done && ((start == item) || (!multf && start == below))) { memcpy(tempdsc->discbase, tempprt->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->numsteps, tempprt->numsteps, endsite*sizeof(long)); memcpy(tempdsc->olddiscbase, start->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->oldnumsteps, start->numsteps, endsite*sizeof(long)); multifillin(added, tempdsc, 0); tempprt = added; } } temp = tempdsc; if (start == below || start == item) fillin(temp, tempprt, below->back); else fillin(temp, tempprt, added); return !moresteps(temp, total); } /* passdown */ boolean trycollapdesc(node *desc, node *parent, node *start, node *below, node *item, node *added, node *total, node *tempdsc, node *tempprt, boolean multf,long *zeros, unsigned char *zeros2) { /* see if branch between nodes desc and parent can be collapsed */ boolean allsame; if (desc->numdesc == 1) return true; if (multf && start == below && parent == below) parent = added; memcpy(tempdsc->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(tempdsc->numsteps, zeros, endsite*sizeof(long)); memcpy(tempdsc->olddiscbase, desc->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->oldnumsteps, desc->numsteps, endsite*sizeof(long)); memcpy(tempprt->discbase, parent->discbase, endsite*sizeof(unsigned char)); memcpy(tempprt->numsteps, parent->numsteps, endsite*sizeof(long)); memcpy(tempprt->discnumnuc, parent->discnumnuc, endsite*sizeof(discnucarray)); tempprt->numdesc = parent->numdesc - 1; multifillin(tempprt, tempdsc, -1); tempprt->numdesc += desc->numdesc; collabranch(desc, tempdsc, tempprt); if (!allcommonbases(tempprt, parent, &allsame) || moresteps(tempprt, parent)) { if (parent != added) { desc->collapse = nocollap; parent->collapse = nocollap; } return false; } else if (allsame) { if (parent != added) { desc->collapse = tocollap; parent->collapse = tocollap; } return true; } if (parent == added) parent = below; if ((start == item && parent == item) || (!multf && start == below && parent == below)) { memcpy(tempdsc->discbase, tempprt->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->numsteps, tempprt->numsteps, endsite*sizeof(long)); memcpy(tempdsc->olddiscbase, start->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->oldnumsteps, start->numsteps, endsite*sizeof(long)); memcpy(tempprt->discbase, added->discbase, endsite*sizeof(unsigned char)); memcpy(tempprt->numsteps, added->numsteps, endsite*sizeof(long)); memcpy(tempprt->discnumnuc, added->discnumnuc, endsite*sizeof(discnucarray)); tempprt->numdesc = added->numdesc; multifillin(tempprt, tempdsc, 0); if (!allcommonbases(tempprt, added, &allsame)) return false; else if (moresteps(tempprt, added)) return false; else if (allsame) return true; } return passdown(desc, parent, start, below, item, added, total, tempdsc, tempprt, multf); } /* trycollapdesc */ void setbottom(node *p) { /* set field bottom at node p */ node *q; p->bottom = true; q = p->next; do { q->bottom = false; q = q->next; } while (q != p); } /* setbottom */ boolean zeroinsubtree(node *subtree, node *start, node *below, node *item, node *added, node *total, node *tempdsc, node *tempprt, boolean multf, node* root, long *zeros, unsigned char *zeros2) { /* sees if subtree contains a zero length branch */ node *p; if (!subtree->tip) { setbottom(subtree); p = subtree->next; do { if (p->back && !p->back->tip && !((p->back->collapse == nocollap) && (subtree->collapse == nocollap)) && (subtree->numdesc != 1)) { if ((p->back->collapse == tocollap) && (subtree->collapse == tocollap) && multf && (subtree != below)) return true; /* when root->numdesc == 2 * there is no mandatory step at the root, * instead of checking at the root we check around it * we only need to check p because the first if * statement already gets rid of it for the subtree */ else if ((p->back->index != root->index || root->numdesc > 2) && trycollapdesc(p->back, subtree, start, below, item, added, total, tempdsc, tempprt, multf, zeros, zeros2)) return true; else if ((p->back->index == root->index && root->numdesc == 2) && !(root->next->back->tip) && !(root->next->next->back->tip) && trycollapdesc(root->next->back, root->next->next->back, start, below, item, added, total, tempdsc, tempprt, multf, zeros, zeros2)) return true; } p = p->next; } while (p != subtree); p = subtree->next; do { if (p->back && !p->back->tip) { if (zeroinsubtree(p->back, start, below, item, added, total, tempdsc, tempprt, multf, root, zeros, zeros2)) return true; } p = p->next; } while (p != subtree); } return false; } /* zeroinsubtree */ boolean collapsible(node *item, node *below, node *temp, node *temp1, node *tempdsc, node *tempprt, node *added, node *total, boolean multf, node *root, long *zeros, unsigned char *zeros2, pointarray treenode) { /* sees if any branch can be collapsed */ node *belowbk; boolean allsame; if (multf) { memcpy(tempdsc->discbase, item->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->numsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempdsc->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(tempdsc->oldnumsteps, zeros, endsite*sizeof(long)); memcpy(added->discbase, below->discbase, endsite*sizeof(unsigned char)); memcpy(added->numsteps, below->numsteps, endsite*sizeof(long)); memcpy(added->discnumnuc, below->discnumnuc, endsite*sizeof(discnucarray)); added->numdesc = below->numdesc + 1; multifillin(added, tempdsc, 1); } else { fillin(added, item, below); added->numdesc = 2; } fillin(total, added, below->back); clearbottom(treenode); if (below->back) { if (zeroinsubtree(below->back, below->back, below, item, added, total, tempdsc, tempprt, multf, root, zeros, zeros2)) return true; } if (multf) { if (zeroinsubtree(below, below, below, item, added, total, tempdsc, tempprt, multf, root, zeros, zeros2)) return true; } else if (!below->tip) { if (zeroinsubtree(below, below, below, item, added, total, tempdsc, tempprt, multf, root, zeros, zeros2)) return true; } if (!item->tip) { if (zeroinsubtree(item, item, below, item, added, total, tempdsc, tempprt, multf, root, zeros, zeros2)) return true; } if (multf && below->back && !below->back->tip) { memcpy(tempdsc->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(tempdsc->numsteps, zeros, endsite*sizeof(long)); memcpy(tempdsc->olddiscbase, added->discbase, endsite*sizeof(unsigned char)); memcpy(tempdsc->oldnumsteps, added->numsteps, endsite*sizeof(long)); if (below->back == treenode[below->back->index - 1]) belowbk = below->back->next; else belowbk = treenode[below->back->index - 1]; memcpy(tempprt->discbase, belowbk->discbase, endsite*sizeof(unsigned char)); memcpy(tempprt->numsteps, belowbk->numsteps, endsite*sizeof(long)); memcpy(tempprt->discnumnuc, belowbk->discnumnuc, endsite*sizeof(discnucarray)); tempprt->numdesc = belowbk->numdesc - 1; multifillin(tempprt, tempdsc, -1); tempprt->numdesc += added->numdesc; collabranch(added, tempdsc, tempprt); if (!allcommonbases(tempprt, belowbk, &allsame)) return false; else if (allsame && !moresteps(tempprt, belowbk)) return true; else if (belowbk->back) { fillin(temp, tempprt, belowbk->back); fillin(temp1, belowbk, belowbk->back); return !moresteps(temp, temp1); } } return false; } /* collapsible */ void replaceback(node **oldback, node *item, node *forknode, node **grbg, long *zeros, unsigned char *zeros2) { /* replaces back node of item with another */ node *p; p = forknode; while (p->next->back != item) p = p->next; *oldback = p->next; gnudisctreenode(grbg, &p->next, forknode->index, endsite, zeros, zeros2); p->next->next = (*oldback)->next; p->next->back = (*oldback)->back; p->next->back->back = p->next; (*oldback)->next = (*oldback)->back = NULL; } /* replaceback */ void putback(node *oldback, node *item, node *forknode, node **grbg) { /* restores node to back of item */ node *p, *q; p = forknode; while (p->next != item->back) p = p->next; q = p->next; oldback->next = p->next->next; p->next = oldback; oldback->back = item; item->back = oldback; oldback->index = forknode->index; chucktreenode(grbg, q); } /* putback */ void savelocrearr(node *item, node *forknode, node *below, node *tmp, node *tmp1, node *tmp2, node *tmp3, node *tmprm, node *tmpadd, node **root, long maxtrees, long *nextree, boolean multf, boolean bestever, boolean *saved, long *place, bestelm *bestrees, pointarray treenode, node **grbg, long *zeros, unsigned char *zeros2) { /* saves tied or better trees during local rearrangements by removing item from forknode and adding to below */ node *other, *otherback=NULL, *oldfork, *nufork, *oldback; long pos; boolean found, collapse; if (forknode->numdesc == 2) { findbelow(&other, item, forknode); otherback = other->back; oldback = NULL; } else { other = NULL; replaceback(&oldback, item, forknode, grbg, zeros, zeros2); } re_move(item, &oldfork, root, false, treenode, grbg, zeros, zeros2); if (!multf) getnufork(&nufork, grbg, treenode, zeros, zeros2); else nufork = NULL; addnsave(below, item, nufork, root, grbg, multf, treenode, place, zeros, zeros2); pos = 0; findtree(&found, &pos, *nextree, place, bestrees); if (other) { add(other, item, oldfork, root, false, treenode, grbg, zeros, zeros2); if (otherback->back != other) flipnodes(item, other); } else add(forknode, item, NULL, root, false, treenode, grbg, zeros, zeros2); *saved = false; if (found) { if (oldback) putback(oldback, item, forknode, grbg); } else { if (oldback) chucktreenode(grbg, oldback); re_move(item, &oldfork, root, true, treenode, grbg, zeros, zeros2); collapse = collapsible(item, below, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, multf, *root, zeros, zeros2, treenode); if (!collapse) { if (bestever) addbestever(&pos, nextree, maxtrees, collapse, place, bestrees); else addtiedtree(pos, nextree, maxtrees, collapse, place, bestrees); } if (other) add(other, item, oldfork, root, true, treenode, grbg, zeros, zeros2); else add(forknode, item, NULL, root, true, treenode, grbg, zeros, zeros2); *saved = !collapse; } } /* savelocrearr */ void clearvisited(pointarray treenode) { /* clears boolean visited at a node */ long i; node *p; for (i = 0; i < nonodes; i++) { treenode[i]->visited = false; if (!treenode[i]->tip) { p = treenode[i]->next; while (p != treenode[i]) { p->visited = false; p = p->next; } } } } /* clearvisited */ void hyprint(long b1,long b2,struct LOC_hyptrav *htrav,pointarray treenode) { /* print out states in sites b1 through b2 at node */ long i, j, k; boolean dot, found; if (htrav->bottom) { if (!outgropt) fprintf(outfile, " "); else fprintf(outfile, "root "); } else fprintf(outfile, "%4ld ", htrav->r->back->index - spp); if (htrav->r->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[htrav->r->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", htrav->r->index - spp); if (htrav->bottom) fprintf(outfile, " "); else if (htrav->nonzero) fprintf(outfile, " yes "); else if (htrav->maybe) fprintf(outfile, " maybe "); else fprintf(outfile, " no "); for (i = b1; i <= b2; i++) { j = location[ally[i - 1] - 1]; htrav->tempset = htrav->r->discbase[j - 1]; htrav->anc = htrav->hypset[j - 1]; if (!htrav->bottom) htrav->anc = treenode[htrav->r->back->index - 1]->discbase[j - 1]; dot = dotdiff && (htrav->tempset == htrav->anc && !htrav->bottom); if (dot) putc('.', outfile); else { found = false; k = (long)zero; do { if (htrav->tempset == (1 << k)) { putc(convtab[k][i - 1], outfile); found = true; } k++; } while (!found && k <= (long)seven); if (!found) putc('?', outfile); } if (i % 10 == 0) putc(' ', outfile); } putc('\n', outfile); } /* hyprint */ void gnubase(gbases **p, gbases **garbage, long endsite) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (*garbage != NULL) { *p = *garbage; *garbage = (*garbage)->next; } else { *p = (gbases *)Malloc(sizeof(gbases)); (*p)->discbase = (discbaseptr)Malloc(endsite*sizeof(unsigned char)); } (*p)->next = NULL; } /* gnubase */ void chuckbase(gbases *p, gbases **garbage) { /* collect garbage on p -- put it on front of garbage list */ p->next = *garbage; *garbage = p; } /* chuckbase */ void hyptrav(node *r_, discbaseptr hypset_, long b1, long b2, boolean bottom_, pointarray treenode, gbases **garbage) { /* compute, print out states at one interior node */ struct LOC_hyptrav Vars; long i, j, k; long largest; gbases *ancset; discnucarray *tempnuc; node *p, *q; Vars.bottom = bottom_; Vars.r = r_; Vars.hypset = hypset_; gnubase(&ancset, garbage, endsite); tempnuc = (discnucarray *)Malloc(endsite*sizeof(discnucarray)); Vars.maybe = false; Vars.nonzero = false; if (!Vars.r->tip) zerodiscnumnuc(Vars.r, endsite); for (i = b1 - 1; i < b2; i++) { j = location[ally[i] - 1]; Vars.anc = Vars.hypset[j - 1]; if (!Vars.r->tip) { p = Vars.r->next; for (k = (long)zero; k <= (long)seven; k++) if (Vars.anc & (1 << k)) Vars.r->discnumnuc[j - 1][k]++; do { for (k = (long)zero; k <= (long)seven; k++) if (p->back->discbase[j - 1] & (1 << k)) Vars.r->discnumnuc[j - 1][k]++; p = p->next; } while (p != Vars.r); largest = getlargest(Vars.r->discnumnuc[j - 1]); Vars.tempset = 0; for (k = (long)zero; k <= (long)seven; k++) { if (Vars.r->discnumnuc[j - 1][k] == largest) Vars.tempset |= (1 << k); } Vars.r->discbase[j - 1] = Vars.tempset; } if (!Vars.bottom) Vars.anc = treenode[Vars.r->back->index - 1]->discbase[j - 1]; Vars.nonzero = (Vars.nonzero || (Vars.r->discbase[j - 1] & Vars.anc) == 0); Vars.maybe = (Vars.maybe || Vars.r->discbase[j - 1] != Vars.anc); } hyprint(b1, b2, &Vars, treenode); Vars.bottom = false; if (!Vars.r->tip) { memcpy(tempnuc, Vars.r->discnumnuc, endsite*sizeof(discnucarray)); q = Vars.r->next; do { memcpy(Vars.r->discnumnuc, tempnuc, endsite*sizeof(discnucarray)); for (i = b1 - 1; i < b2; i++) { j = location[ally[i] - 1]; for (k = (long)zero; k <= (long)seven; k++) if (q->back->discbase[j - 1] & (1 << k)) Vars.r->discnumnuc[j - 1][k]--; largest = getlargest(Vars.r->discnumnuc[j - 1]); ancset->discbase[j - 1] = 0; for (k = (long)zero; k <= (long)seven; k++) if (Vars.r->discnumnuc[j - 1][k] == largest) ancset->discbase[j - 1] |= (1 << k); if (!Vars.bottom) Vars.anc = ancset->discbase[j - 1]; } hyptrav(q->back, ancset->discbase, b1, b2, Vars.bottom, treenode, garbage); q = q->next; } while (q != Vars.r); } chuckbase(ancset, garbage); } /* hyptrav */ void hypstates(long chars, node *root, pointarray treenode, gbases **garbage) { /* fill in and describe states at interior nodes */ /* used in pars */ long i, n; discbaseptr nothing; fprintf(outfile, "\nFrom To Any Steps? State at upper node\n"); fprintf(outfile, " "); if (dotdiff) fprintf(outfile, " ( . means same as in the node below it on tree)\n"); nothing = (discbaseptr)Malloc(endsite*sizeof(unsigned char)); for (i = 0; i < endsite; i++) nothing[i] = 0; for (i = 1; i <= ((chars - 1) / 40 + 1); i++) { putc('\n', outfile); n = i * 40; if (n > chars) n = chars; hyptrav(root, nothing, i * 40 - 39, n, true, treenode, garbage); } free(nothing); } /* hypstates */ void initbranchlen(node *p) { node *q; p->v = 0.0; if (p->back) p->back->v = 0.0; if (p->tip) return; q = p->next; while (q != p) { initbranchlen(q->back); q = q->next; } q = p->next; while (q != p) { q->v = 0.0; q = q->next; } } /* initbranchlen */ void initmin(node *p, long sitei, boolean internal) { long i; if (internal) { for (i = (long)zero; i <= (long)seven; i++) { p->disccumlengths[i] = 0; p->discnumreconst[i] = 1; } } else { for (i = (long)zero; i <= (long)seven; i++) { if (p->discbase[sitei - 1] & (1 << i)) { p->disccumlengths[i] = 0; p->discnumreconst[i] = 1; } else { p->disccumlengths[i] = -1; p->discnumreconst[i] = 0; } } } } /* initmin */ void initbase(node *p, long sitei) { /* traverse tree to initialize base at internal nodes */ node *q; long i, largest; if (p->tip) return; q = p->next; while (q != p) { if (q->back) { memcpy(q->discnumnuc, p->discnumnuc, endsite*sizeof(discnucarray)); for (i = (long)zero; i <= (long)seven; i++) { if (q->back->discbase[sitei - 1] & (1 << i)) q->discnumnuc[sitei - 1][i]--; } if (p->back) { for (i = (long)zero; i <= (long)seven; i++) { if (p->back->discbase[sitei - 1] & (1 << i)) q->discnumnuc[sitei - 1][i]++; } } largest = getlargest(q->discnumnuc[sitei - 1]); q->discbase[sitei - 1] = 0; for (i = (long)zero; i <= (long)seven; i++) { if (q->discnumnuc[sitei - 1][i] == largest) q->discbase[sitei - 1] |= (1 << i); } } q = q->next; } q = p->next; while (q != p) { initbase(q->back, sitei); q = q->next; } } /* initbase */ void inittreetrav(node *p, long sitei) { /* traverse tree to clear boolean initialized and set up base */ node *q; if (p->tip) { initmin(p, sitei, false); p->initialized = true; return; } q = p->next; while (q != p) { inittreetrav(q->back, sitei); q = q->next; } initmin(p, sitei, true); p->initialized = false; q = p->next; while (q != p) { initmin(q, sitei, true); q->initialized = false; q = q->next; } } /* inittreetrav */ void compmin(node *p, node *desc) { /* computes minimum lengths up to p */ long i, j, minn, cost, desclen, descrecon=0, maxx; maxx = 10 * spp; for (i = (long)zero; i <= (long)seven; i++) { minn = maxx; for (j = (long)zero; j <= (long)seven; j++) { if (i == j) cost = 0; else cost = 1; if (desc->disccumlengths[j] == -1) { desclen = maxx; } else { desclen = desc->disccumlengths[j]; } if (minn > cost + desclen) { minn = cost + desclen; descrecon = 0; } if (minn == cost + desclen) { descrecon += desc->discnumreconst[j]; } } p->disccumlengths[i] += minn; p->discnumreconst[i] *= descrecon; } p->initialized = true; } /* compmin */ void minpostorder(node *p, pointarray treenode) { /* traverses an n-ary tree, computing minimum steps at each node */ node *q; if (p->tip) { return; } q = p->next; while (q != p) { if (q->back) minpostorder(q->back, treenode); q = q->next; } if (!p->initialized) { q = p->next; while (q != p) { if (q->back) compmin(p, q->back); q = q->next; } } } /* minpostorder */ void branchlength(node *subtr1, node *subtr2, double *brlen, pointarray treenode) { /* computes a branch length between two subtrees for a given site */ long i, j, minn, cost, nom, denom; node *temp; if (subtr1->tip) { temp = subtr1; subtr1 = subtr2; subtr2 = temp; } if (subtr1->index == outgrno) { temp = subtr1; subtr1 = subtr2; subtr2 = temp; } minpostorder(subtr1, treenode); minpostorder(subtr2, treenode); minn = 10 * spp; nom = 0; denom = 0; for (i = (long)zero; i <= (long)seven; i++) { for (j = (long)zero; j <= (long)seven; j++) { if (i == j) cost = 0; else cost = 1; if (subtr1->disccumlengths[i] != -1 && (subtr2->disccumlengths[j] != -1)) { if (subtr1->disccumlengths[i] + cost + subtr2->disccumlengths[j] < minn) { minn = subtr1->disccumlengths[i] + cost + subtr2->disccumlengths[j]; nom = 0; denom = 0; } if (subtr1->disccumlengths[i] + cost + subtr2->disccumlengths[j] == minn) { nom += subtr1->discnumreconst[i] * subtr2->discnumreconst[j] * cost; denom += subtr1->discnumreconst[i] * subtr2->discnumreconst[j]; } } } } *brlen = (double)nom/(double)denom; } /* branchlength */ void printbranchlengths(node *p) { node *q; long i; if (p->tip) return; q = p->next; do { fprintf(outfile, "%6ld ",q->index - spp); if (q->back->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[q->back->index - 1][i], outfile); } else fprintf(outfile, "%6ld ", q->back->index - spp); fprintf(outfile, " %.2f\n",q->v); if (q->back) printbranchlengths(q->back); q = q->next; } while (q != p); } /* printbranchlengths */ void branchlentrav(node *p, node *root, long sitei, long chars, double *brlen, pointarray treenode) { /* traverses the tree computing tree length at each branch */ node *q; if (p->tip) return; if (p->index == outgrno) p = p->back; q = p->next; do { if (q->back) { branchlength(q, q->back, brlen, treenode); q->v += ((weight[sitei - 1] / 10.0) * (*brlen)); q->back->v += ((weight[sitei - 1] / 10.0) * (*brlen)); if (!q->back->tip) branchlentrav(q->back, root, sitei, chars, brlen, treenode); } q = q->next; } while (q != p); } /* branchlentrav */ void treelength(node *root, long chars, pointarray treenode) { /* calls branchlentrav at each site */ long sitei; double trlen; initbranchlen(root); for (sitei = 1; sitei <= endsite; sitei++) { trlen = 0.0; initbase(root, sitei); inittreetrav(root, sitei); branchlentrav(root, root, sitei, chars, &trlen, treenode); } } /* treelength */ void coordinates(node *p, long *tipy, double f, long *fartemp) { /* establishes coordinates of nodes for display without lengths */ node *q, *first, *last, *mid1 = NULL, *mid2 = NULL; long numbranches, numb2; if (p->tip) { p->xcoord = 0; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; return; } numbranches = 0; q = p->next; do { coordinates(q->back, tipy, f, fartemp); numbranches += 1; q = q->next; } while (p != q); first = p->next->back; q = p->next; while (q->next != p) q = q->next; last = q->back; numb2 = 1; q = p->next; while (q != p) { if (numb2 == (numbranches + 1)/2) mid1 = q->back; if (numb2 == (numbranches/2 + 1)) mid2 = q->back; numb2 += 1; q = q->next; } p->xcoord = (long)((double)(last->ymax - first->ymin) * f); p->ycoord = (long)((mid1->ycoord + mid2->ycoord) / 2); p->ymin = first->ymin; p->ymax = last->ymax; if (p->xcoord > *fartemp) *fartemp = p->xcoord; } /* coordinates */ void drawline(long i, double scale, node *root) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first = NULL, *last = NULL; long n, j; boolean extra, done, noplus; p = root; q = root; extra = false; noplus = false; if (i == (long)p->ycoord && p == root) { if (p->index - spp >= 10) fprintf(outfile, " %2ld", p->index - spp); else fprintf(outfile, " %ld", p->index - spp); extra = true; noplus = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)(scale * (p->xcoord - q->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if (noplus) { putc('-', outfile); noplus = false; } else putc('+', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; noplus = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } noplus = false; } else { for (j = 1; j <= n; j++) putc(' ', outfile); noplus = false; } if (p != q) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* drawline */ void printree(node *root, double f) { /* prints out diagram of the tree */ /* used in pars */ long i, tipy, dummy; double scale; putc('\n', outfile); if (!treeprint) return; putc('\n', outfile); tipy = 1; dummy = 0; coordinates(root, &tipy, f, &dummy); scale = 1.5; putc('\n', outfile); for (i = 1; i <= (tipy - down); i++) drawline(i, scale, root); fprintf(outfile, "\n remember:"); if (outgropt) fprintf(outfile, " (although rooted by outgroup)"); fprintf(outfile, " this is an unrooted tree!\n\n"); } /* printree */ void writesteps(long chars, boolean weights, steptr oldweight, node *root) { /* used in pars */ long i, j, k, l; putc('\n', outfile); if (weights) fprintf(outfile, "weighted "); fprintf(outfile, "steps in each site:\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%4ld", i); fprintf(outfile, "\n *------------------------------------"); fprintf(outfile, "-----\n"); for (i = 0; i <= (chars / 10); i++) { fprintf(outfile, "%5ld", i * 10); putc('|', outfile); for (j = 0; j <= 9; j++) { k = i * 10 + j; if (k == 0 || k > chars) fprintf(outfile, " "); else { l = location[ally[k - 1] - 1]; if (oldweight[k - 1] > 0) fprintf(outfile, "%4ld", oldweight[k - 1] * (root->numsteps[l - 1] / weight[l - 1])); else fprintf(outfile, " 0"); } } putc('\n', outfile); } } /* writesteps */ void treeout(node *p, long nextree, long *col, node *root) { /* write out file with representation of final tree */ /* used in pars */ node *q; long i, n; Char c; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { putc('(', outtree); (*col)++; q = p->next; while (q != p) { treeout(q->back, nextree, col, root); q = q->next; if (q == p) break; putc(',', outtree); (*col)++; if (*col > 60) { putc('\n', outtree); *col = 0; } } putc(')', outtree); (*col)++; } if (p != root) return; if (nextree > 2) fprintf(outtree, "[%6.4f];\n", 1.0 / (nextree - 1)); else fprintf(outtree, ";\n"); } /* treeout */ void treeout3(node *p, long nextree, long *col, node *root) { /* write out file with representation of final tree */ /* used in dnapars -- writes branch lengths */ node *q; long i, n, w; double x; Char c; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { putc('(', outtree); (*col)++; q = p->next; while (q != p) { treeout3(q->back, nextree, col, root); q = q->next; if (q == p) break; putc(',', outtree); (*col)++; if (*col > 60) { putc('\n', outtree); *col = 0; } } putc(')', outtree); (*col)++; } x = p->v; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p != root) { fprintf(outtree, ":%*.2f", (int)(w + 4), x); col += w + 8; } if (p != root) return; if (nextree > 2) fprintf(outtree, "[%6.4f];\n", 1.0 / (nextree - 1)); else fprintf(outtree, ";\n"); } /* treeout3 */ void drawline3(long i, double scale, node *start) { /* draws one row of the tree diagram by moving up tree */ /* used in pars */ node *p, *q; long n, j; boolean extra; node *r, *first = NULL, *last = NULL; boolean done; p = start; q = start; extra = false; if (i == (long)p->ycoord) { if (p->index - spp >= 10) fprintf(outfile, " %2ld", p->index - spp); else fprintf(outfile, " %ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || (r == p))); first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; } done = (p->tip || p == q); n = (long)(scale * (q->xcoord - p->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if ((long)p->ycoord != (long)q->ycoord) putc('+', outfile); else putc('-', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && (i != (long)p->ycoord || p == start)) { putc('|', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (q != p) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index-1][j], outfile); } putc('\n', outfile); } /* drawline3 */ void standev(long chars, long numtrees, long minwhich, double minsteps, double *nsteps, long **fsteps, longer seed) { /* compute and write standard deviation of user trees */ /* used in pars */ long i, j, k; double wt, sumw, sum, sum2, sd; double temp; double **covar, *P, *f; #define SAMPLES 1000 #define MAXSHIMOTREES 1000 /* ????? if numtrees too big for Shimo, truncate */ if (numtrees == 2) { fprintf(outfile, "Kishino-Hasegawa-Templeton test\n\n"); fprintf(outfile, "Tree Steps Diff Steps Its S.D."); fprintf(outfile, " Significantly worse?\n\n"); which = 1; while (which <= numtrees) { fprintf(outfile, "%3ld%10.1f", which, nsteps[which - 1] / 10); if (minwhich == which) fprintf(outfile, " <------ best\n"); else { sumw = 0.0; sum = 0.0; sum2 = 0.0; for (i = 0; i < chars; i++) { if (weight[i] > 0) { wt = weight[i] / 10.0; sumw += wt; temp = (fsteps[which - 1][i] - fsteps[minwhich - 1][i]) / 10.0; sum += temp; sum2 += temp * temp / wt; } } temp = sum / sumw; sd = sqrt(sumw / (sumw - 1.0) * (sum2 - temp * temp)); fprintf(outfile, "%10.1f%12.4f", (nsteps[which - 1] - minsteps) / 10, sd); if (sum > 1.95996 * sd) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } which++; } fprintf(outfile, "\n\n"); } else { /* Shimodaira-Hasegawa test using normal approximation */ fprintf(outfile, "Shimodaira-Hasegawa test\n\n"); covar = (double **)Malloc(numtrees*sizeof(double *)); for (i = 0; i < numtrees; i++) covar[i] = (double *)Malloc(numtrees*sizeof(double)); sumw = 0.0; for (i = 0; i < chars; i++) sumw += weight[i]; for (i = 0; i < numtrees; i++) { /* compute covariances of trees */ sum = nsteps[i]/(10.0*sumw); for (j = 0; j <=i; j++) { sum2 = nsteps[j]/(10.0*sumw); temp = 0.0; for (k = 0; k < chars; k++) { wt = weight[k]/10.0; if (weight[k] > 0) { temp = temp + wt*(fsteps[i][k]/(10.0*wt)-sum) *(fsteps[j][k]/(10.0*wt)-sum2); } } covar[i][j] = temp; if (i != j) covar[j][i] = temp; } } for (i = 0; i < numtrees; i++) { /* in-place Cholesky decomposition of trees x trees covariance matrix */ sum = 0.0; for (j = 0; j <= i-1; j++) sum = sum + covar[i][j] * covar[i][j]; if (covar[i][i]-sum <= 0.0) temp = 0.0; else temp = sqrt(covar[i][i] - sum); covar[i][i] = temp; for (j = i+1; j < numtrees; j++) { sum = 0.0; for (k = 0; k < i; k++) sum = sum + covar[i][k] * covar[j][k]; if (fabs(temp) < 1.0E-23) covar[j][i] = 0.0; else covar[j][i] = (covar[j][i] - sum)/temp; } } f = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ P = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ for (i = 0; i < numtrees; i++) P[i] = 0.0; sum2 = nsteps[0]/10.0; /* sum2 will be smallest # of steps */ for (i = 1; i < numtrees; i++) if (sum2 > nsteps[i]/10.0) sum2 = nsteps[i]/10.0; for (i = 1; i < SAMPLES; i++) { /* loop over resampled trees */ for (j = 0; j < numtrees; j++) { /* draw vectors */ sum = 0.0; for (k = 0; k <= j; k++) sum += normrand(seed)*covar[j][k]; f[j] = sum; } sum = f[1]; for (j = 1; j < numtrees; j++) /* get min of vector */ if (f[j] < sum) sum = f[j]; for (j = 0; j < numtrees; j++) /* accumulate P's */ if (nsteps[j]/10.0-sum2 < f[j] - sum) P[j] += 1.0/SAMPLES; } fprintf(outfile, "Tree Steps Diff Steps P value"); fprintf(outfile, " Significantly worse?\n\n"); for (i = 0; i < numtrees; i++) { fprintf(outfile, "%3ld%10.1f", i+1, nsteps[i]/10); if ((minwhich-1) == i) fprintf(outfile, " <------ best\n"); else { fprintf(outfile, " %9.1f %10.3f", nsteps[i]/10.0-sum2, P[i]); if (P[i] < 0.05) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } } fprintf(outfile, "\n"); free(P); /* free the variables we Malloc'ed */ free(f); for (i = 0; i < numtrees; i++) free(covar[i]); free(covar); } } /* standev */ void freetip(node *anode) { /* used in pars */ free(anode->numsteps); free(anode->oldnumsteps); free(anode->discbase); free(anode->olddiscbase); } /* freetip */ void freenontip(node *anode) { /* used in pars */ free(anode->numsteps); free(anode->oldnumsteps); free(anode->discbase); free(anode->olddiscbase); free(anode->discnumnuc); } /* freenontip */ void freenodes(long nonodes, pointarray treenode) { /* used in pars */ long i; node *p; for (i = 0; i < spp; i++) freetip(treenode[i]); for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]->next; do { freenontip(p); p = p->next; } while (p != treenode[i]); freenontip(p); } } } /* freenodes */ void freenode(node **anode) { /* used in pars */ freenontip(*anode); free(*anode); } /* freenode */ void freetree(long nonodes, pointarray treenode) { /* used in pars */ long i; node *p, *q; for (i = 0; i < spp; i++) free(treenode[i]); for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]->next; do { q = p->next; free(p); p = q; } while (p != treenode[i]); free(p); } } free(treenode); } /* freetree */ void freegarbage(gbases **garbage) { /* used in pars */ gbases *p; while (*garbage) { p = *garbage; *garbage = (*garbage)->next; free(p->discbase); free(p); } } /* freegarbage */ void freegrbg(node **grbg) { /* used in pars */ node *p; while (*grbg) { p = *grbg; *grbg = (*grbg)->next; freenontip(p); free(p); } } /*freegrbg */ ./arbsrc_9167/GDE/PHYLIP/discrete.h0000644012664100000130000001263311213220011016502 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* discrete.h: included in pars */ typedef struct gbases { discbaseptr discbase; struct gbases *next; } gbases; struct LOC_hyptrav { boolean bottom; node *r; discbaseptr hypset; boolean maybe, nonzero; unsigned char tempset, anc; } ; extern long nonodes, endsite, outgrno, nextree, which; extern boolean interleaved, printdata, outgropt, treeprint, dotdiff; extern steptr weight, category, alias, location, ally; extern sequence y, convtab; #ifndef OLDC /*function prototypes*/ void inputdata(long); void alloctree(pointarray *, long, boolean); void setuptree(pointarray, long, boolean); void alloctip(node *, long *, unsigned char *); void sitesort(long, steptr); void sitecombine(long); void sitescrunch(long); void makevalues(pointarray, long *, unsigned char *, boolean); void fillin(node *, node *, node *); long getlargest(long *); void multifillin(node *, node *, long); void sumnsteps(node *, node *, node *, long, long); void sumnsteps2(node *, node *, node *, long, long, long *); void multisumnsteps(node *, node *, long, long, long *); void multisumnsteps2(node *); void findoutgroup(node *, boolean *); boolean alltips(node *, node *); void gdispose(node *, node **, pointarray); void preorder(node *, node *, node *, node *, node *, node *, long ); void updatenumdesc(node *, node *, long); void add(node *, node *, node *, node **, boolean, pointarray, node **, long *, unsigned char *); void findbelow(node **, node *, node *); void re_move(node *, node **, node **, boolean, pointarray, node **, long *, unsigned char *); void postorder(node *); void getnufork(node **, node **, pointarray, long *, unsigned char *); void reroot(node *, node *); void reroot2(node *, node *); void reroot3(node *, node *, node *, node *, node **); void savetraverse(node *); void newindex(long, node *); void flipindexes(long, pointarray); boolean parentinmulti(node *); long sibsvisited(node *, long *); long smallest(node *, long *); void bintomulti(node **, node **, node **, long *, unsigned char *); void backtobinary(node **, node *, node **); boolean outgrin(node *, node *); void flipnodes(node *, node *); void moveleft(node *, node *, node **); void savetree(node *, long *, pointarray, node **, long *, unsigned char *); void addnsave(node *, node *, node *, node **, node **, boolean multf, pointarray , long *, long *, unsigned char *); void addbestever(long *, long *, long, boolean, long *, bestelm *); void addtiedtree(long, long *, long, boolean, long *, bestelm *); void clearcollapse(pointarray); void clearbottom(pointarray); void collabranch(node *,node *,node *); boolean allcommonbases(node *, node *, boolean *); void findbottom(node *, node **); boolean moresteps(node *, node *); boolean passdown(node *, node *, node *, node *, node *, node *, node *, node *, node *, boolean); boolean trycollapdesc(node *, node *, node *, node *, node *, node *, node *, node *, node *, boolean ,long *, unsigned char *); void setbottom(node *); boolean zeroinsubtree(node *, node *, node *, node *, node *, node *, node *, node *, boolean , node *, long *, unsigned char *); boolean collapsible(node *, node *, node *, node *, node *, node *, node *, node *, boolean , node *, long *, unsigned char *, pointarray); void replaceback(node **,node *,node *,node **,long *,unsigned char *); void putback(node *, node *, node *, node **); void savelocrearr(node *, node *, node *, node *, node *, node *, node *, node *, node *, node **, long, long *, boolean, boolean, boolean *, long *, bestelm *, pointarray, node **, long *, unsigned char *); void clearvisited(pointarray); void hyprint(long,long,struct LOC_hyptrav *, pointarray); void gnubase(gbases **, gbases **, long); void chuckbase(gbases *, gbases **); void hyptrav(node *, discbaseptr, long, long, boolean, pointarray, gbases **); void hypstates(long, node *, pointarray, gbases **); void initbranchlen(node *); void initmin(node *, long, boolean); void initbase(node *, long); void inittreetrav(node *, long); void compmin(node *, node *); void minpostorder(node *, pointarray); void branchlength(node *, node *, double *, pointarray); void printbranchlengths(node *); void branchlentrav(node *, node *, long, long, double *, pointarray); void treelength(node *, long, pointarray); void coordinates(node *, long *, double , long *); void drawline(long, double, node *); void printree(node *, double); void writesteps(long, boolean, steptr, node *); void treeout(node *, long, long *, node *); void drawline3(long, double, node *); void standev(long, long, long, double, double *, long **, longer); void freetip(node *); void freenontip(node *); void freenodes(long, pointarray); void freenode(node **); void freetree(long, pointarray); void freegarbage(gbases **); void freegrbg(node **); void treeout3(node *p, long nextree, long *col, node *root); /*function prototypes*/ #endif ./arbsrc_9167/GDE/PHYLIP/dist.c0000644012664100000130000002541411213220011015637 0ustar arb_buildcoders#include "phylip.h" #include "dist.h" /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ void alloctree(pointptr *treenode, long nonodes) { /* allocate treenode dynamically */ /* used in fitch, kitsch & neighbor */ long i, j; node *p, *q; *treenode = (pointptr)Malloc(nonodes*sizeof(node *)); for (i = 0; i < spp; i++) (*treenode)[i] = (node *)Malloc(sizeof(node)); for (i = spp; i < nonodes; i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node *)Malloc(sizeof(node)); p->next = q; q = p; } p->next->next->next = p; (*treenode)[i] = p; } } /* alloctree */ void allocd(long nonodes, pointptr treenode) { /* used in fitch & kitsch */ long i, j; node *p; for (i = 0; i < (spp); i++) { treenode[i]->d = (vector)Malloc(nonodes*sizeof(double)); } for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->d = (vector)Malloc(nonodes*sizeof(double)); p = p->next; } } } void allocw(long nonodes, pointptr treenode) { /* used in fitch & kitsch */ long i, j; node *p; for (i = 0; i < (spp); i++) { treenode[i]->w = (vector)Malloc(nonodes*sizeof(double)); } for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->w = (vector)Malloc(nonodes*sizeof(double)); p = p->next; } } } void setuptree(tree *a, long nonodes) { /* initialize a tree */ /* used in fitch, kitsch, & neighbor */ long i=0; node *p; for (i = 1; i <= nonodes; i++) { a->nodep[i - 1]->back = NULL; a->nodep[i - 1]->tip = (i <= spp); a->nodep[i - 1]->iter = true; a->nodep[i - 1]->index = i; a->nodep[i - 1]->t = 0.0; a->nodep[i - 1]->sametime = false; a->nodep[i - 1]->v = 0.0; if (i > spp) { p = a->nodep[i-1]->next; while (p != a->nodep[i-1]) { p->back = NULL; p->tip = false; p->iter = true; p->index = i; p->t = 0.0; p->sametime = false; p = p->next; } } } a->likelihood = -1.0; a->start = a->nodep[0]; a->root = NULL; } /* setuptree */ void inputdata(boolean replicates, boolean printdata, boolean lower, boolean upper, vector *x, intvector *reps) { /* read in distance matrix */ /* used in fitch & neighbor */ long i=0, j=0, k=0, columns=0; boolean skipit=false, skipother=false; if (replicates) columns = 4; else columns = 6; if (printdata) { fprintf(outfile, "\nName Distances"); if (replicates) fprintf(outfile, " (replicates)"); fprintf(outfile, "\n---- ---------"); if (replicates) fprintf(outfile, "-------------"); fprintf(outfile, "\n\n"); } for (i = 0; i < spp; i++) { x[i][i] = 0.0; scan_eoln(infile); initname(i); for (j = 0; j < spp; j++) { skipit = ((lower && j + 1 >= i + 1) || (upper && j + 1 <= i + 1)); skipother = ((lower && i + 1 >= j + 1) || (upper && i + 1 <= j + 1)); if (!skipit) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%lf", &x[i][j]); if (replicates) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld", &reps[i][j]); } else reps[i][j] = 1; } if (!skipit && skipother) { x[j][i] = x[i][j]; reps[j][i] = reps[i][j]; } } } scan_eoln(infile); if (!printdata) return; for (i = 0; i < spp; i++) { for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); putc(' ', outfile); for (j = 1; j <= spp; j++) { fprintf(outfile, "%10.5f", x[i][j - 1]); if (replicates) fprintf(outfile, " (%3ld)", reps[i][j - 1]); if (j % columns == 0 && j < spp) { putc('\n', outfile); for (k = 1; k <= nmlngth + 1; k++) putc(' ', outfile); } } putc('\n', outfile); } putc('\n', outfile); } /* inputdata */ void coordinates(node *p, double lengthsum, long *tipy, double *tipmax, node *start, boolean njoin) { /* establishes coordinates of nodes */ node *q, *first, *last; if (p->tip) { p->xcoord = (long)(over * lengthsum + 0.5); p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; if (lengthsum > *tipmax) *tipmax = lengthsum; return; } q = p->next; do { if (q->back) coordinates(q->back, lengthsum + q->v, tipy,tipmax, start, njoin); q = q->next; } while ((p == start || p != q) && (p != start || p->next != q)); first = p->next->back; q = p; while (q->next != p && q->next->back) /* is this right ? */ q = q->next; last = q->back; p->xcoord = (long)(over * lengthsum + 0.5); if (p == start) { if (njoin) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (p->next->back->ycoord + p->next->next->back->ycoord) / 2; } else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* coordinates */ void drawline(long i, double scale, node *start, boolean rooted) { /* draws one row of the tree diagram by moving up tree */ node *p, *q; long n=0, j=0; boolean extra=false, trif=false; node *r, *first =NULL, *last =NULL; boolean done=false; p = start; q = start; extra = false; trif = false; if (i == (long)p->ycoord && p == start) { /* display the root */ if (rooted) { if (p->index - spp >= 10) fprintf(outfile, "-"); else fprintf(outfile, "--"); } else { if (p->index - spp >= 10) fprintf(outfile, " "); else fprintf(outfile, " "); } if (p->index - spp >= 10) fprintf(outfile, "%2ld", p->index - spp); else fprintf(outfile, "%ld", p->index - spp); extra = true; trif = true; } else fprintf(outfile, " "); do { if (!p->tip) { /* internal nodes */ r = p->next; done = false; /* r->back here is going to the same node. */ do { if (!r->back) { r = r->next; continue; } if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; break; } r = r->next; } while (!((p != start && r == p) || (p == start && r == p->next))); first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; if (!rooted && (p == start)) last = p->back; } /* end internal node case... */ /* draw the line: */ done = (p->tip || p == q); n = (long)(scale * (q->xcoord - p->xcoord) + 0.5); if (!q->tip) { if ((n < 3) && (q->index - spp >= 10)) n = 3; if ((n < 2) && (q->index - spp < 10)) n = 2; } if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if (p->ycoord != q->ycoord) putc('+', outfile); if (trif) { n++; trif = false; } if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); trif = false; } } if (q != p) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* drawline */ void printree(node *start, boolean treeprint, boolean njoin, boolean rooted) { /* prints out diagram of the tree */ /* used in fitch & neighbor */ long i; long tipy; double scale,tipmax; if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; coordinates(start, 0.0, &tipy, &tipmax, start, njoin); scale = 1.0 / (long)(tipmax + 1.000); for (i = 1; i <= (tipy - down); i++) drawline(i, scale, start, rooted); putc('\n', outfile); } /* printree */ void treeoutr(node *p, long *col, tree *curtree) { /* write out file with representation of final tree. * Rooted case. Used in kitsch and neighbor. */ long i, n, w; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } (*col) += n; } else { putc('(', outtree); (*col)++; treeoutr(p->next->back,col,curtree); putc(',', outtree); (*col)++; if ((*col) > 55) { putc('\n', outtree); (*col) = 0; } treeoutr(p->next->next->back,col,curtree); putc(')', outtree); (*col)++; } x = p->v; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p == curtree->root) fprintf(outtree, ";\n"); else { fprintf(outtree, ":%*.5f", (int)(w + 7), x); (*col) += w + 8; } } /* treeoutr */ void treeout(node *p, long *col, double m, boolean njoin, node *start) { /* write out file with representation of final tree */ /* used in fitch & neighbor */ long i=0, n=0, w=0; Char c; double x=0.0; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { putc('(', outtree); (*col)++; treeout(p->next->back, col, m, njoin, start); putc(',', outtree); (*col)++; if (*col > 55) { putc('\n', outtree); *col = 0; } treeout(p->next->next->back, col, m, njoin, start); if (p == start && njoin) { putc(',', outtree); treeout(p->back, col, m, njoin, start); } putc(')', outtree); (*col)++; } x = p->v; if (x > 0.0) w = (long)(m * log(x)); else if (x == 0.0) w = 0; else w = (long)(m * log(-x)) + 1; if (w < 0) w = 0; if (p == start) fprintf(outtree, ";\n"); else { fprintf(outtree, ":%*.5f", (int) w + 7, x); *col += w + 8; } } /* treeout */ ./arbsrc_9167/GDE/PHYLIP/dist.h0000644012664100000130000000171011213220011015635 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* dist.h: included in fitch, kitsch, & neighbor */ #define over 60 typedef long *intvector; typedef node **pointptr; #ifndef OLDC /*function prototypes*/ void alloctree(pointptr *, long); void allocd(long, pointptr); void allocw(long, pointptr); void setuptree(tree *, long); void inputdata(boolean, boolean, boolean, boolean, vector *, intvector *); void coordinates(node *, double, long *, double *, node *, boolean); void drawline(long, double, node *, boolean); void printree(node *, boolean, boolean, boolean); void treeoutr(node *, long *, tree *); void treeout(node *, long *, double, boolean, node *); /*function prototypes*/ #endif ./arbsrc_9167/GDE/PHYLIP/dnacomp.c0000644012664100000130000007476611213220011016333 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of tied trees stored */ typedef boolean *boolptr; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void initdnacompnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void makeweights(void); void doinput(void); void mincomp(long ); void evaluate(node *); void localsavetree(void); void tryadd(node *, node *, node *); void addpreorder(node *, node *, node *); void tryrearr(node *, boolean *); void repreorder(node *, boolean *); void rearrange(node **); void describe(void); void initboolnames(node *, boolean *); void maketree(void); void freerest(void); void standev3(long, long, long, double, double *, long **, longer); void reallocchars(void); /* function prototypes */ #endif extern sequence y; Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH]; node *root, *p; long chars, col, ith, njumble, jumb, msets; long inseed, inseed0; boolean jumble, usertree, trout, weights, progress, stepbox, ancseq, firstset, mulsets, justwts; steptr oldweight, necsteps; pointarray treenode; /* pointers to all nodes in tree */ long *enterorder; Char basechar[32]="ACMGRSVTWYHKDBNO???????????????"; bestelm *bestrees; boolean dummy; longer seed; gbases *garbage; Char ch; Char progname[20]; long *zeros; /* Local variables for maketree, propogated globally for C version: */ long maxwhich; double like, maxsteps, bestyet, bestlike, bstlike2; boolean lastrearr, recompute; double nsteps[maxuser]; long **fsteps; node *there; long *place; boolptr in_tree; baseptr nothing; node *temp, *temp1; node *grbg; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nDNA compatibility algorithm, version %s\n\n",VERSION); putchar('\n'); jumble = false; njumble = 1; outgrno = 1; outgropt = false; trout = true; usertree = false; weights = false; justwts = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nDNA compatibility algorithm, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (!usertree) { printf(" J Randomize input order of sequences?"); if (jumble) { printf( " Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); } else printf(" No. Use input order\n"); } printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at sequence number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Print steps & compatibility at sites %s\n", (stepbox ? "Yes" : "No")); printf(" 5 Print sequences at all nodes of tree %s\n", (ancseq ? "Yes" : "No")); printf(" 6 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if (strchr("WJOTUMI1234560",ch) != NULL){ switch (ch) { case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'I': interleaved = !interleaved; break; case 'W': weights = !weights; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void reallocchars(void) {/* The amount of chars can change between runs this function reallocates all the variables whose size depends on the amount of chars */ long i; for (i = 0; i < spp; i++) { free(y[i]); y[i] = (Char *)Malloc(chars*sizeof(Char)); } free(weight); free(oldweight); free(enterorder); free(necsteps); free(alias); free(ally); free(location); free(in_tree); weight = (steptr)Malloc(chars*sizeof(long)); oldweight = (steptr)Malloc(chars*sizeof(long)); enterorder = (long *)Malloc(spp*sizeof(long)); necsteps = (steptr)Malloc(chars*sizeof(long)); alias = (steptr)Malloc(chars*sizeof(long)); ally = (steptr)Malloc(chars*sizeof(long)); location = (steptr)Malloc(chars*sizeof(long)); in_tree = (boolptr)Malloc(chars*sizeof(boolean)); } void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(chars*sizeof(Char)); bestrees = (bestelm *) Malloc(maxtrees*sizeof(bestelm)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1].btree = (long *)Malloc(nonodes*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); weight = (steptr)Malloc(chars*sizeof(long)); oldweight = (steptr)Malloc(chars*sizeof(long)); enterorder = (long *)Malloc(spp*sizeof(long)); necsteps = (steptr)Malloc(chars*sizeof(long)); alias = (steptr)Malloc(chars*sizeof(long)); ally = (steptr)Malloc(chars*sizeof(long)); location = (steptr)Malloc(chars*sizeof(long)); place = (long *)Malloc((2*spp-1)*sizeof(long)); in_tree = (boolptr)Malloc(chars*sizeof(boolean)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, chars); alloctree(&treenode, nonodes, usertree); allocrest(); } /* doinit */ void initdnacompnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnutreenode(grbg, p, nodei, endsite, zeros); treenode[nodei - 1] = *p; break; case nonbottom: gnutreenode(grbg, p, nodei, endsite, zeros); break; case tip: match_names_to_data (str, treenode, p, spp); break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); /* process and discard lengths */ default: break; } } /* initdnacompnode */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= chars; i++) { alias[i - 1] = i; oldweight[i - 1] = weight[i - 1]; ally[i - 1] = i; } sitesort(chars, weight); sitecombine(chars); sitescrunch(chars); endsite = 0; for (i = 1; i <= chars; i++) { if (ally[i - 1] == i) endsite++; } for (i = 1; i <= endsite; i++) location[alias[i - 1] - 1] = i; zeros = (long *)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) zeros[i] = 0; } /* makeweights */ void doinput() { /* reads the input data */ long i; if (justwts) { if (firstset) inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; inputweights(chars, weight, &weights); if (justwts) { fprintf(outfile, "\n\nWeights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } else { if (!firstset){ samenumsp(&chars, ith); reallocchars(); } inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; if (weights) { inputweights(chars, weight, &weights); if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } } makeweights(); makevalues(treenode, zeros, usertree); allocnode(&temp, zeros, endsite); allocnode(&temp1, zeros, endsite); } /* doinput */ void mincomp(long n) { /* computes for each site the minimum number of steps necessary to accomodate those species already in the analysis, adding in species n */ long i, j, k, l, m; bases b; long s; boolean allowable, deleted; in_tree[n - 1] = true; for (i = 0; i < endsite; i++) necsteps[i] = 3; for (m = 0; m <= 31; m++) { s = 0; l = -1; k = m; for (b = A; (long)b <= (long)O; b = (bases)((long)b + 1)) { if ((k & 1) == 1) { s |= 1L << ((long)b); l++; } k /= 2; } for (j = 0; j < endsite; j++) { allowable = true; i = 1; while (allowable && i <= spp) { if (in_tree[i - 1] && treenode[i - 1]->base[j] != 0) { if ((treenode[i - 1]->base[j] & s) == 0) allowable = false; } i++; } if (allowable) { if (l < necsteps[j]) necsteps[j] = l; } } } for (j = 0; j < endsite; j++) { deleted = false; for (i = 0; i < spp; i++) { if (in_tree[i] && treenode[i]->base[j] == 0) deleted = true; } if (deleted) necsteps[j]++; } for (i = 0; i < endsite; i++) necsteps[i] *= weight[i]; } /* mincomp */ void evaluate(node *r) { /* determines the number of steps needed for a tree. this is the minimum number of steps needed to evolve sequences on this tree */ long i, term; double sum; sum = 0.0; for (i = 0; i < endsite; i++) { if (r->numsteps[i] == necsteps[i]) term = weight[i]; else term = 0; sum += term; if (usertree && which <= maxuser) fsteps[which - 1][i] = term; } if (usertree && which <= maxuser) { nsteps[which - 1] = sum; if (which == 1) { maxwhich = 1; maxsteps = sum; } else if (sum > maxsteps) { maxwhich = which; maxsteps = sum; } } like = sum; } /* evaluate */ void localsavetree() { /* record in place where each species has to be added to reconstruct this tree */ long i, j; node *p; boolean done; reroot(treenode[outgrno - 1], root); savetraverse(root); for (i = 0; i < nonodes; i++) place[i] = 0; place[root->index - 1] = 1; for (i = 1; i <= spp; i++) { p = treenode[i - 1]; while (place[p->index - 1] == 0) { place[p->index - 1] = i; while (!p->bottom) p = p->next; p = p->back; } if (i > 1) { place[i - 1] = place[p->index - 1]; j = place[p->index - 1]; done = false; while (!done) { place[p->index - 1] = spp + i - 1; while (!p->bottom) p = p->next; p = p->back; done = (p == NULL); if (!done) done = (place[p->index - 1] != j); } } } } /* localsavetree */ void tryadd(node *p, node *item, node *nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ long pos; boolean found; node *rute, *q; if (p == root) fillin(temp, item, p); else { fillin(temp1, item, p); fillin(temp, temp1, p->back); } evaluate(temp); if (lastrearr) { if (like < bestlike) { if (item == nufork->next->next->back) { q = nufork->next; nufork->next = nufork->next->next; nufork->next->next = q; q->next = nufork; } } else if (like >= bstlike2) { recompute = false; add(p, item, nufork, &root, recompute, treenode, &grbg, zeros); rute = root->next->back; localsavetree(); reroot(rute, root); if (like > bstlike2) { bestlike = bstlike2 = like; pos = 1; nextree = 1; addtree(pos, &nextree, dummy, place, bestrees); } else { pos = 0; findtree(&found, &pos, nextree, place, bestrees); if (!found) { if (nextree <= maxtrees) addtree(pos, &nextree, dummy, place, bestrees); } } re_move(item, &nufork, &root, recompute, treenode, &grbg, zeros); recompute = true; } } if (like > bestyet) { bestyet = like; there = p; } } /* tryadd */ void addpreorder(node *p, node *item, node *nufork) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ if (p == NULL) return; tryadd(p, item, nufork); if (!p->tip) { addpreorder(p->next->back, item, nufork); addpreorder(p->next->next->back, item, nufork); } } /* addpreorder */ void tryrearr(node *p, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success := TRUE and keeps the new tree. otherwise, restores the old tree */ node *frombelow, *whereto, *forknode, *q; double oldlike; if (p->back == NULL) return; forknode = treenode[p->back->index - 1]; if (forknode->back == NULL) return; oldlike = bestyet; if (p->back->next->next == forknode) frombelow = forknode->next->next->back; else frombelow = forknode->next->back; whereto = treenode[forknode->back->index - 1]; if (whereto->next->back == forknode) q = whereto->next->next->back; else q = whereto->next->back; fillin(temp1, frombelow, q); fillin(temp, temp1, p); fillin(temp1, temp, whereto->back); evaluate(temp1); if (like <= oldlike) { if (p != forknode->next->next->back) return; q = forknode->next; forknode->next = forknode->next->next; forknode->next->next = q; q->next = forknode; return; } recompute = false; re_move(p, &forknode, &root, recompute, treenode, &grbg, zeros); fillin(whereto, whereto->next->back, whereto->next->next->back); recompute = true; add(whereto, p, forknode, &root, recompute, treenode, &grbg, zeros); *success = true; bestyet = like; } /* tryrearr */ void repreorder(node *p, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p,success); if (!p->tip) { repreorder(p->next->back,success); repreorder(p->next->next->back,success); } } /* repreorder */ void rearrange(node **r) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ boolean success=true; while (success) { success = false; repreorder(*r,&success); } } /* rearrange */ void describe() { /* prints ancestors, steps and table of numbers of steps in each site and table of compatibilities */ long i, j, k; if (treeprint) { fprintf(outfile, "\ntotal number of compatible sites is "); fprintf(outfile, "%10.1f\n", like); } if (stepbox) { writesteps(chars, weights, oldweight, root); fprintf(outfile, "\n compatibility (Y or N) of each site with this tree:\n\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%ld", i); fprintf(outfile, "\n *----------\n"); for (i = 0; i <= (chars / 10); i++) { putc(' ', outfile); fprintf(outfile, "%3ld !", i * 10); for (j = 0; j <= 9; j++) { k = i * 10 + j; if (k > 0 && k <= chars) { if (root->numsteps[location[ally[k - 1] - 1] - 1] == necsteps[location[ally[k - 1] - 1] - 1]) { if (oldweight[k - 1] > 0) putc('Y', outfile); else putc('y', outfile); } else { if (oldweight[k - 1] > 0) putc('N', outfile); else putc('n', outfile); } } else putc(' ', outfile); } putc('\n', outfile); } } if (ancseq) { hypstates(chars, root, treenode, &garbage, basechar); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout(root, nextree, &col, root); } } /* describe */ void initboolnames(node *p, boolean *names) { /* sets BOOLEANs that indicate tips */ node *q; if (p->tip) { names[p->index - 1] = true; return; } q = p->next; while (q != p) { initboolnames(q->back, names); q = q->next; } } /* initboolnames */ void standev3(long chars, long numtrees, long maxwhich, double maxsteps, double *nsteps, long **fsteps, longer seed) { /* compute and write standard deviation of user trees */ long i, j, k; double wt, sumw, sum, sum2, sd; double temp; double **covar, *P, *f; #define SAMPLES 1000 #define MAXSHIMOTREES 1000 /* ????? if numtrees too big for Shimo, truncate */ if (numtrees == 2) { fprintf(outfile, "Kishino-Hasegawa-Templeton test\n\n"); fprintf(outfile, "Tree Compatible Difference Its S.D."); fprintf(outfile, " Significantly worse?\n\n"); which = 1; while (which <= numtrees) { fprintf(outfile, "%3ld %11.1f", which, nsteps[which - 1]); if (maxwhich == which) fprintf(outfile, " <------ best\n"); else { sumw = 0.0; sum = 0.0; sum2 = 0.0; for (i = 0; i < chars; i++) { if (weight[i] > 0) { wt = weight[i]; sumw += wt; temp = (fsteps[which - 1][i] - fsteps[maxwhich - 1][i]); sum += temp; sum2 += temp * temp / wt; } } temp = sum / sumw; sd = sqrt(sumw / (sumw - 1.0) * (sum2 - temp * temp)); fprintf(outfile, " %10.1f %11.4f", (maxsteps-nsteps[which - 1]), sd); if (sum > 1.95996 * sd) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } which++; } fprintf(outfile, "\n\n"); } else { /* Shimodaira-Hasegawa test using normal approximation */ fprintf(outfile, "Shimodaira-Hasegawa test\n\n"); covar = (double **)Malloc(numtrees*sizeof(double *)); sumw = 0.0; for (i = 0; i < chars; i++) sumw += weight[i]; for (i = 0; i < numtrees; i++) covar[i] = (double *)Malloc(numtrees*sizeof(double)); for (i = 0; i < numtrees; i++) { /* compute covariances of trees */ sum = nsteps[i]/sumw; for (j = 0; j <=i; j++) { sum2 = nsteps[j]/sumw; temp = 0.0; for (k = 0; k < chars; k++) { if (weight[k] > 0) { wt = weight[k]; temp = temp + wt*(fsteps[i][k]/wt-sum) *(fsteps[j][k]/wt-sum2); } } covar[i][j] = temp; if (i != j) covar[j][i] = temp; } } for (i = 0; i < numtrees; i++) { /* in-place Cholesky decomposition of trees x trees covariance matrix */ sum = 0.0; for (j = 0; j <= i-1; j++) sum = sum + covar[i][j] * covar[i][j]; temp = sqrt(covar[i][i] - sum); covar[i][i] = temp; for (j = i+1; j < numtrees; j++) { sum = 0.0; for (k = 0; k < i; k++) sum = sum + covar[i][k] * covar[j][k]; if (fabs(temp) < 1.0E-12) covar[j][i] = 0.0; else covar[j][i] = (covar[j][i] - sum)/temp; } } f = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ P = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ for (i = 0; i < numtrees; i++) P[i] = 0.0; sum2 = nsteps[0]; /* sum2 will be largest # of compat. sites */ for (i = 1; i < numtrees; i++) if (sum2 < nsteps[i]) sum2 = nsteps[i]; for (i = 1; i < SAMPLES; i++) { /* loop over resampled trees */ for (j = 0; j < numtrees; j++) { /* draw vectors */ sum = 0.0; for (k = 0; k <= j; k++) sum += normrand(seed)*covar[j][k]; f[j] = sum; } sum = f[1]; for (j = 1; j < numtrees; j++) /* get max of vector */ if (f[j] > sum) sum = f[j]; for (j = 0; j < numtrees; j++) /* accumulate P's */ if (sum2-nsteps[j] < sum-f[j]) P[j] += 1.0/SAMPLES; } fprintf(outfile, "Tree Compatible Difference P value"); fprintf(outfile, " Significantly worse?\n\n"); for (i = 0; i < numtrees; i++) { fprintf(outfile, "%3ld %10.1f", i+1, nsteps[i]); if ((maxwhich-1) == i) fprintf(outfile, " <------ best\n"); else { fprintf(outfile, " %10.1f %10.3f", sum2-nsteps[i], P[i]); if (P[i] < 0.05) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } } fprintf(outfile, "\n"); free(P); /* free the variables we Malloc'ed */ free(f); for (i = 0; i < numtrees; i++) free(covar[i]); free(covar); } } /* standev */ void maketree() { /* constructs a binary tree from the pointers in treenode. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, numtrees, nextnode; boolean firsttree, goteof, haslengths; double gotlike; node *item, *nufork, *dummy; pointarray nodep; boolean *names; if (!usertree) { recompute = true; for (i = 0; i < spp; i++) in_tree[i] = false; for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); root = treenode[enterorder[0] - 1]; add(treenode[enterorder[0] - 1], treenode[enterorder[1] - 1], treenode[spp], &root, recompute, treenode, &grbg, zeros); if (progress) { printf("Adding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } in_tree[0] = true; in_tree[1] = true; lastrearr = false; for (i = 3; i <= spp; i++) { mincomp(i); bestyet = -350.0 * spp * chars; item = treenode[enterorder[i - 1] - 1]; nufork = treenode[spp + i - 2]; there = root; addpreorder(root, item, nufork); add(there, item, nufork, &root, recompute, treenode, &grbg, zeros); like = bestyet; rearrange(&root); if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = (i == spp); if (lastrearr) { if (progress) { printf("\nDoing global rearrangements\n"); printf(" !"); for (j = 1; j <= nonodes; j++) putchar('-'); printf("!\n"); #ifdef WIN32 phyFillScreenColor(); #endif } bestlike = bestyet; if (jumb == 1) { bstlike2 = bestlike; nextree = 1; } do { if (progress) printf(" "); gotlike = bestlike; for (j = 0; j < nonodes; j++) { bestyet = -10.0 * spp * chars; item = treenode[j]; there = root; if (item != root) { re_move(item, &nufork, &root, recompute, treenode, &grbg, zeros); there = root; addpreorder(root, item, nufork); add(there, item, nufork, &root, recompute, treenode, &grbg, zeros); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) putchar('\n'); } while (bestlike > gotlike); } } if (progress) putchar('\n'); for (i = spp - 1; i >= 1; i--) re_move(treenode[i], &dummy, &root, recompute, treenode, &grbg, zeros); if (jumb == njumble) { if (treeprint) { putc('\n', outfile); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); recompute = false; for (i = 0; i <= (nextree - 2); i++) { root = treenode[0]; add(treenode[0], treenode[1], treenode[spp], &root, recompute, treenode, &grbg, zeros); for (j = 3; j <= spp; j++) add(treenode[bestrees[i].btree[j - 1] - 1], treenode[j - 1], treenode[spp + j - 2], &root, recompute, treenode, &grbg, zeros); reroot(treenode[outgrno - 1], root); postorder(root); evaluate(root); printree(root, 1.0); describe(); for (j = 1; j < spp; j++) re_move(treenode[j], &dummy, &root, recompute, treenode, &grbg, zeros); } } } else { openfile(&intree, INTREE, "input tree file", "r", progname, intreename); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n"); } fsteps = (long **)Malloc(maxuser*sizeof(long *)); for (j = 1; j <= maxuser; j++) fsteps[j - 1] = (long *)Malloc(endsite*sizeof(long)); names = (boolean *)Malloc(spp*sizeof(boolean)); nodep = NULL; maxsteps = 0.0; which = 1; while (which <= numtrees) { firsttree = true; nextnode = 0; haslengths = true; treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdnacompnode); for (j = 0; j < spp; j++) names[j] = false; initboolnames(root, names); for (j = 0; j < spp; j++) in_tree[j] = names[j]; j = 1; while (!in_tree[j - 1]) j++; mincomp(j); if (outgropt) reroot(treenode[outgrno - 1], root); postorder(root); evaluate(root); printree(root, 1.0); describe(); which++; } FClose(intree); putc('\n', outfile); if (numtrees > 1 && chars > 1 ) { standev3(chars, numtrees, maxwhich, maxsteps, nsteps, fsteps, seed); } for (j = 1; j <= maxuser; j++) free(fsteps[j - 1]); free(fsteps); free(names); } if (jumb == njumble) { if (progress) { printf("Output written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n\n", outtreename); } } } /* maketree */ void freerest() { if (!usertree) { freenode(&temp); freenode(&temp1); } freegrbg(&grbg); if (ancseq) freegarbage(&garbage); free(zeros); freenodes(nonodes, treenode); } /* freerest */ int main(int argc, Char *argv[]) { /* DNA compatibility by uphill search */ /* reads in spp, chars, and the data. Then calls maketree to construct the tree */ #ifdef MAC argc = 1; /* macsetup("Dnacomp",""); */ argv[0]="Dnacomp"; #endif init(argc, argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); mulsets = false; garbage = NULL; grbg = NULL; ibmpc = IBMCRT; ansi = ANSICRT; msets = 1; firstset = true; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); for (ith = 1; ith <= msets; ith++) { doinput(); if (ith == 1) firstset = false; if (msets > 1 && !justwts) { fprintf(outfile, "Data set # %ld:\n\n", ith); if (progress) printf("Data set # %ld:\n\n", ith); } for (jumb = 1; jumb <= njumble; jumb++) maketree(); freerest(); } freetree(nonodes, treenode); FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif exxit(0); return 0; } /* DNA compatibility by uphill search */ ./arbsrc_9167/GDE/PHYLIP/dnadist.c0000644012664100000130000010550211213220011016317 0ustar arb_buildcoders#include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define iterationsd 100 /* number of iterates of EM for each distance */ typedef struct valrec { double rat, ratxv, z1, y1, z1zz, z1yy, z1xv; } valrec; extern sequence y; Char infilename[FNMLNGTH], outfilename[FNMLNGTH], catfilename[FNMLNGTH], weightfilename[FNMLNGTH]; long sites, categs, weightsum, datasets, ith, rcategs; boolean freqsfrom, jukes, kimura, logdet, gama, invar, similarity, lower, f84, weights, progress, ctgry, mulsets, justwts, firstset, baddists; node **nodep; double xi, xv, ttratio, ttratio0, freqa, freqc, freqg, freqt, freqr, freqy, freqar, freqcy, freqgr, freqty, cvi, invarfrac, sumrates, fracchange; steptr oldweight; double rate[maxcategs]; double **d; double sumweightrat; /* these values were propagated */ double *weightrat; /* to global values from */ valrec tbl[maxcategs]; /* function makedists. */ #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void reallocsites(void); void doinit(void); void inputcategories(void); void printcategories(void); void inputoptions(void); void dnadist_sitesort(void); void dnadist_sitecombine(void); void dnadist_sitescrunch(void); void makeweights(void); void dnadist_makevalues(void); void dnadist_empiricalfreqs(void); void getinput(void); void inittable(void); double lndet(double (*a)[4]); void makev(long, long, double *); void makedists(void); void writedists(void); /* function prototypes */ #endif void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; boolean ttr; ctgry = false; categs = 1; cvi = 1.0; rcategs = 1; rate[0] = 1.0; freqsfrom = true; gama = false; invar = false; invarfrac = 0.0; jukes = false; justwts = false; kimura = false; logdet = false; f84 = true; lower = false; similarity = false; ttratio = 2.0; ttr = false; weights = false; printdata = false; progress = true; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nNucleic acid sequence Distance Matrix program,"); printf(" version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" D Distance (F84, Kimura, Jukes-Cantor, LogDet)? %s\n", kimura ? "Kimura 2-parameter" : jukes ? "Jukes-Cantor" : logdet ? "LogDet" : similarity ? "Similarity table" : "F84"); if (kimura || f84 || jukes) { printf(" G Gamma distributed rates across sites? "); if (gama) printf("Yes\n"); else { if (invar) printf("Gamma+Invariant\n"); else printf("No\n"); } } if (kimura || f84) { printf(" T Transition/transversion ratio?"); if (!ttr) printf(" 2.0\n"); else printf("%8.4f\n", ttratio); } if (!logdet && !similarity && !gama && !invar) { printf(" C One category of substitution rates?"); if (!ctgry || categs == 1) printf(" Yes\n"); else printf(" %ld categories\n", categs); } printf(" W Use weights for sites?"); if (weights) printf(" Yes\n"); else printf(" No\n"); if (f84) printf(" F Use empirical base frequencies? %s\n", (freqsfrom ? "Yes" : "No")); printf(" L Form of distance matrix? %s\n", (lower ? "Lower-triangular" : "Square")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", datasets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if ((f84 && (strchr("CFGWLDTMI012",ch) != NULL)) || (kimura && (strchr("CGWLDTMI012",ch) != NULL)) || (jukes && (strchr("CGWLDMI012",ch) != NULL)) || ((logdet || similarity) && (strchr("WLDMI012",ch)) != NULL) || (ctgry && (strchr("CFWLDTMI012",ch) != NULL))) { switch (ch) { case 'D': if (kimura) { kimura = false; jukes = true; freqsfrom = false; } else if (f84) { f84 = false; kimura = true; freqsfrom = false; } else if (logdet) { logdet = false; similarity = true; } else if (similarity) { similarity = false; f84 = true; freqsfrom = true; } else { jukes = false; logdet = true; freqsfrom = false; } break; case 'G': if (!(gama || invar)) gama = true; else { if (gama) { gama = false; invar = true; } else { if (invar) invar = false; } } break; case 'C': ctgry = !ctgry; if (ctgry) { initcatn(&categs); initcategs(categs, rate); } break; case 'F': freqsfrom = !freqsfrom; if (!freqsfrom) initfreqs(&freqa, &freqc, &freqg, &freqt); break; case 'W': weights = !weights; break; case 'L': lower = !lower; break; case 'T': ttr = !ttr; if (ttr) initratio(&ttratio); break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); uppercase(&ch2); getchar(); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&datasets); else initdatasets(&datasets); } break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; } } else { if (strchr("CFGWLDTMI012",ch) == NULL) printf("Not a possible option!\n"); else printf("That option not allowed with these settings\n"); printf("\nPress Enter or Return key to continue\n"); getchar(); } countup(&loopcount, 100); } if (gama || invar) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among sites (must be positive)\n"); printf( " In gamma distribution parameters, this is 1/(square root of alpha)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &cvi); getchar(); countup(&loopcount, 10); } while (cvi <= 0.0); cvi = 1.0 / (cvi * cvi); } if (invar) { loopcount = 0; do { printf("Fraction of invariant sites?\n"); scanf("%lf%*[^\n]", &invarfrac); getchar(); countup (&loopcount, 10); } while ((invarfrac <= 0.0) || (invarfrac >= 1.0)); } if (!printdata) return; fprintf(outfile, "\nNucleic acid sequence Distance Matrix program,"); fprintf(outfile, " version %s\n\n",VERSION); } /* getoptions */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); nodep = (node **)Malloc(spp*sizeof(node *)); for (i = 0; i < spp; i++) { y[i] = (Char *)Malloc(sites*sizeof(Char)); nodep[i] = (node *)Malloc(sizeof(node)); } d = (double **)Malloc(spp*sizeof(double *)); for (i = 0; i < spp; i++) d[i] = (double*)Malloc(spp*sizeof(double)); nayme = (naym *)Malloc(spp*sizeof(naym)); category = (steptr)Malloc(sites*sizeof(long)); oldweight = (steptr)Malloc(sites*sizeof(long)); weight = (steptr)Malloc(sites*sizeof(long)); alias = (steptr)Malloc(sites*sizeof(long)); ally = (steptr)Malloc(sites*sizeof(long)); location = (steptr)Malloc(sites*sizeof(long)); weightrat = (double *)Malloc(sites*sizeof(double)); } /* allocrest */ void reallocsites() {/* The amount of sites can change between runs this function reallocates all the variables whose size depends on the amount of sites */ long i; for (i = 0; i < spp; i++) { free(y[i]); y[i] = (Char *)Malloc(sites*sizeof(Char)); } free(category); free(oldweight); free(weight); free(alias); free(ally); free(location); free(weightrat); category = (steptr)Malloc(sites*sizeof(long)); oldweight = (steptr)Malloc(sites*sizeof(long)); weight = (steptr)Malloc(sites*sizeof(long)); alias = (steptr)Malloc(sites*sizeof(long)); ally = (steptr)Malloc(sites*sizeof(long)); location = (steptr)Malloc(sites*sizeof(long)); weightrat = (double *)Malloc(sites*sizeof(double)); } /* reallocsites */ void doinit() { /* initializes variables */ inputnumbers(&spp, &sites, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites); allocrest(); } /* doinit */ void inputcategories() { /* reads the categories for each site */ long i; Char ch; for (i = 1; i < nmlngth; i++) gettc(infile); for (i = 0; i < sites; i++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); } while (ch == ' '); category[i] = ch - '0'; } scan_eoln(infile); } /* inputcategories */ void printcategories() { /* print out list of categories of sites */ long i, j; fprintf(outfile, "Rate categories\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 1; i <= sites; i++) { fprintf(outfile, "%ld", category[i - 1]); if (i % 60 == 0) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } else if (i % 10 == 0) putc(' ', outfile); } fprintf(outfile, "\n\n"); } /* printcategories */ void inputoptions() { /* read options information */ long i; if (!firstset && !justwts) { samenumsp(&sites, ith); reallocsites(); } for (i = 0; i < sites; i++) { category[i] = 1; oldweight[i] = 1; } if (justwts || weights) inputweights(sites, oldweight, &weights); if (printdata) putc('\n', outfile); if (jukes && printdata) fprintf(outfile, " Jukes-Cantor Distance\n"); if (kimura && printdata) fprintf(outfile, " Kimura 2-parameter Distance\n"); if (f84 && printdata) fprintf(outfile, " F84 Distance\n"); if (similarity) fprintf(outfile, " \n Table of similarity between sequences\n"); if (firstset && printdata && (kimura || f84)) fprintf(outfile, "\nTransition/transversion ratio = %10.6f\n", ttratio); if (ctgry && categs > 1) { inputcategs(0, sites, category, categs, "DnaDist"); if (printdata) printcategs(outfile, sites, category, "Site categories"); } else if (printdata && (categs > 1)) { fprintf(outfile, "\nSite category Rate of change\n\n"); for (i = 1; i <= categs; i++) fprintf(outfile, "%12ld%13.3f\n", i, rate[i - 1]); putc('\n', outfile); printcategories(); } if ((jukes || kimura || logdet) && freqsfrom) { printf(" WARNING: CANNOT USE EMPIRICAL BASE FREQUENCIES"); printf(" WITH JUKES-CANTOR, KIMURA, JIN/NEI OR LOGDET DISTANCES\n"); exxit(-1); } if (jukes) ttratio = 0.5000001; if (weights && printdata) printweights(outfile, 0, sites, oldweight, "Sites"); } /* inputoptions */ void dnadist_sitesort() { /* Shell sort of sites lexicographically */ long gap, i, j, jj, jg, k, itemp; boolean flip, tied; gap = sites / 2; while (gap > 0) { for (i = gap + 1; i <= sites; i++) { j = i - gap; flip = true; while (j > 0 && flip) { jj = alias[j - 1]; jg = alias[j + gap - 1]; tied = (oldweight[jj - 1] == oldweight[jg - 1]); flip = (oldweight[jj - 1] < oldweight[jg - 1] || (tied && category[jj - 1] > category[jg - 1])); tied = (tied && category[jj - 1] == category[jg - 1]); k = 1; while (k <= spp && tied) { flip = (y[k - 1][jj - 1] > y[k - 1][jg - 1]); tied = (tied && y[k - 1][jj - 1] == y[k - 1][jg - 1]); k++; } if (!flip) break; itemp = alias[j - 1]; alias[j - 1] = alias[j + gap - 1]; alias[j + gap - 1] = itemp; j -= gap; } } gap /= 2; } } /* dnadist_sitesort */ void dnadist_sitecombine() { /* combine sites that have identical patterns */ long i, j, k; boolean tied; i = 1; while (i < sites) { j = i + 1; tied = true; while (j <= sites && tied) { tied = (oldweight[alias[i - 1] - 1] == oldweight[alias[j - 1] - 1] && category[alias[i - 1] - 1] == category[alias[j - 1] - 1]); k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i - 1] - 1] == y[k - 1][alias[j - 1] - 1]); k++; } if (!tied) break; ally[alias[j - 1] - 1] = alias[i - 1]; j++; } i = j; } } /* dnadist_sitecombine */ void dnadist_sitescrunch() { /* move so one representative of each pattern of sites comes first */ long i, j, itemp; boolean done, found, completed; done = false; i = 1; j = 2; while (!done) { if (ally[alias[i - 1] - 1] != alias[i - 1]) { if (j <= i) j = i + 1; if (j <= sites) { do { found = (ally[alias[j - 1] - 1] == alias[j - 1]); j++; completed = (j > sites); if (j <= sites) completed = (oldweight[alias[j - 1] - 1] == 0); } while (!(found || completed)); if (found) { j--; itemp = alias[i - 1]; alias[i - 1] = alias[j - 1]; alias[j - 1] = itemp; } else done = true; } else done = true; } i++; done = (done || i >= sites); } } /* dnadist_sitescrunch */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i - 1] = i; ally[i - 1] = i; weight[i - 1] = 0; } dnadist_sitesort(); dnadist_sitecombine(); dnadist_sitescrunch(); endsite = 0; for (i = 1; i <= sites; i++) { if (ally[i - 1] == i && oldweight[i - 1] > 0) endsite++; } for (i = 1; i <= endsite; i++) location[alias[i - 1] - 1] = i; weightsum = 0; for (i = 0; i < sites; i++) weightsum += oldweight[i]; sumrates = 0.0; for (i = 0; i < sites; i++) sumrates += oldweight[i] * rate[category[i] - 1]; for (i = 0; i < categs; i++) rate[i] *= weightsum / sumrates; for (i = 0; i < sites; i++) weight[location[ally[i] - 1] - 1] += oldweight[i]; } /* makeweights */ void dnadist_makevalues() { /* set up fractional likelihoods at tips */ long i, j, k; bases b; for (i = 0; i < spp; i++) { nodep[i]->x = (phenotype)Malloc(endsite*sizeof(ratelike)); for (j = 0; j < endsite; j++) nodep[i]->x[j] = (ratelike)Malloc(rcategs*sizeof(sitelike)); } for (k = 0; k < endsite; k++) { j = alias[k]; for (i = 0; i < spp; i++) { for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) nodep[i]->x[k][0][(long)b - (long)A] = 0.0; switch (y[i][j - 1]) { case 'A': nodep[i]->x[k][0][0] = 1.0; break; case 'C': nodep[i]->x[k][0][(long)C - (long)A] = 1.0; break; case 'G': nodep[i]->x[k][0][(long)G - (long)A] = 1.0; break; case 'T': nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'U': nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'M': nodep[i]->x[k][0][0] = 1.0; nodep[i]->x[k][0][(long)C - (long)A] = 1.0; break; case 'R': nodep[i]->x[k][0][0] = 1.0; nodep[i]->x[k][0][(long)G - (long)A] = 1.0; break; case 'W': nodep[i]->x[k][0][0] = 1.0; nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'S': nodep[i]->x[k][0][(long)C - (long)A] = 1.0; nodep[i]->x[k][0][(long)G - (long)A] = 1.0; break; case 'Y': nodep[i]->x[k][0][(long)C - (long)A] = 1.0; nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'K': nodep[i]->x[k][0][(long)G - (long)A] = 1.0; nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'B': nodep[i]->x[k][0][(long)C - (long)A] = 1.0; nodep[i]->x[k][0][(long)G - (long)A] = 1.0; nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'D': nodep[i]->x[k][0][0] = 1.0; nodep[i]->x[k][0][(long)G - (long)A] = 1.0; nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'H': nodep[i]->x[k][0][0] = 1.0; nodep[i]->x[k][0][(long)C - (long)A] = 1.0; nodep[i]->x[k][0][(long)T - (long)A] = 1.0; break; case 'V': nodep[i]->x[k][0][0] = 1.0; nodep[i]->x[k][0][(long)C - (long)A] = 1.0; nodep[i]->x[k][0][(long)G - (long)A] = 1.0; break; case 'N': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) nodep[i]->x[k][0][(long)b - (long)A] = 1.0; break; case 'X': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) nodep[i]->x[k][0][(long)b - (long)A] = 1.0; break; case '?': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) nodep[i]->x[k][0][(long)b - (long)A] = 1.0; break; case 'O': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) nodep[i]->x[k][0][(long)b - (long)A] = 1.0; break; case '-': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) nodep[i]->x[k][0][(long)b - (long)A] = 1.0; break; } } } } /* dnadist_makevalues */ void dnadist_empiricalfreqs() { /* Get empirical base frequencies from the data */ long i, j, k; double sum, suma, sumc, sumg, sumt, w; freqa = 0.25; freqc = 0.25; freqg = 0.25; freqt = 0.25; for (k = 1; k <= 8; k++) { suma = 0.0; sumc = 0.0; sumg = 0.0; sumt = 0.0; for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) { w = weight[j]; sum = freqa * nodep[i]->x[j][0][0]; sum += freqc * nodep[i]->x[j][0][(long)C - (long)A]; sum += freqg * nodep[i]->x[j][0][(long)G - (long)A]; sum += freqt * nodep[i]->x[j][0][(long)T - (long)A]; suma += w * freqa * nodep[i]->x[j][0][0] / sum; sumc += w * freqc * nodep[i]->x[j][0][(long)C - (long)A] / sum; sumg += w * freqg * nodep[i]->x[j][0][(long)G - (long)A] / sum; sumt += w * freqt * nodep[i]->x[j][0][(long)T - (long)A] / sum; } } sum = suma + sumc + sumg + sumt; freqa = suma / sum; freqc = sumc / sum; freqg = sumg / sum; freqt = sumt / sum; } } /* dnadist_empiricalfreqs */ void getinput() { /* reads the input data */ inputoptions(); if ((!freqsfrom) && !logdet && !similarity) { if (kimura || jukes) { freqa = 0.25; freqc = 0.25; freqg = 0.25; freqt = 0.25; } getbasefreqs(freqa, freqc, freqg, freqt, &freqr, &freqy, &freqar, &freqcy, &freqgr, &freqty, &ttratio, &xi, &xv, &fracchange, freqsfrom, printdata); if (freqa < 0.00000001) { freqa = 0.000001; freqc = 0.999999*freqc; freqg = 0.999999*freqg; freqt = 0.999999*freqt; } if (freqc < 0.00000001) { freqa = 0.999999*freqa; freqc = 0.000001; freqg = 0.999999*freqg; freqt = 0.999999*freqt; } if (freqg < 0.00000001) { freqa = 0.999999*freqa; freqc = 0.999999*freqc; freqg = 0.000001; freqt = 0.999999*freqt; } if (freqt < 0.00000001) { freqa = 0.999999*freqa; freqc = 0.999999*freqc; freqg = 0.999999*freqg; freqt = 0.000001; } } if (!justwts || firstset) inputdata(sites); makeweights(); dnadist_makevalues(); if (freqsfrom) { dnadist_empiricalfreqs(); getbasefreqs(freqa, freqc, freqg, freqt, &freqr, &freqy, &freqar, &freqcy, &freqgr, &freqty, &ttratio, &xi, &xv, &fracchange, freqsfrom, printdata); } } /* getinput */ void inittable() { /* Define a lookup table. Precompute values and store in a table */ long i; for (i = 0; i < categs; i++) { tbl[i].rat = rate[i]; tbl[i].ratxv = rate[i] * xv; } } /* inittable */ double lndet(double (*a)[4]) { long i, j, k; double temp, ld; /*Gauss-Jordan reduction -- invert matrix a in place, overwriting previous contents of a. On exit, matrix a contains the inverse, lndet contains the log of the determinant */ ld = 1.0; for (i = 0; i < 4; i++) { ld *= a[i][i]; temp = 1.0 / a[i][i]; a[i][i] = 1.0; for (j = 0; j < 4; j++) a[i][j] *= temp; for (j = 0; j < 4; j++) { if (j != i) { temp = a[j][i]; a[j][i] = 0.0; for (k = 0; k < 4; k++) a[j][k] -= temp * a[i][k]; } } } if (ld <= 0.0) return(99.0); else return(log(ld)); } /* lndet */ void makev(long m, long n, double *v) { /* compute one distance */ long i, j, k, l, it, num1, num2, idx; long numerator = 0, denominator = 0; double sum, sum1, sum2, sumyr, lz, aa, bb, cc, vv=0, p1, p2, p3, q1, q2, q3, tt, delta, slope, xx1freqa, xx1freqc, xx1freqg, xx1freqt; double *prod, *prod2, *prod3; boolean quick, jukesquick, kimquick, logdetquick; bases b; node *p, *q; sitelike xx1, xx2; double basetable[4][4]; /* for quick logdet */ double basefreq1[4], basefreq2[4]; p = nodep[m - 1]; q = nodep[n - 1]; quick = (!ctgry || categs == 1); if (jukes || kimura || logdet || similarity) { numerator = 0; denominator = 0; for (i = 0; i < endsite; i++) { memcpy(xx1, p->x[i][0], sizeof(sitelike)); memcpy(xx2, q->x[i][0], sizeof(sitelike)); sum = 0.0; sum1 = 0.0; sum2 = 0.0; for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) { sum1 += xx1[(long)b - (long)A]; sum2 += xx2[(long)b - (long)A]; sum += xx1[(long)b - (long)A] * xx2[(long)b - (long)A]; } quick = (quick && (sum1 == 1.0 || sum1 == 4.0) && (sum2 == 1.0 || sum2 == 4.0)); if (sum1 == 1.0 && sum2 == 1.0) { numerator += (long)(weight[i] * sum); denominator += weight[i]; } } } jukesquick = ((jukes || similarity) && quick); kimquick = (kimura && quick); logdetquick = (logdet && quick); if (logdet && !quick) { printf(" WARNING: CANNOT CALCULATE LOGDET DISTANCE\n"); printf(" WITH PRESENT PROGRAM IF PARTIALLY AMBIGUOUS NUCLEOTIDES\n"); baddists = true; } if (jukesquick && jukes && (numerator * 4 <= denominator)) { printf("\nWARNING: INFINITE DISTANCE BETWEEN "); printf(" SPECIES %3ld AND %3ld\n", m, n); baddists = true; } if (jukesquick && invar && (4 * (((double)numerator / denominator) - invarfrac) <= (1.0 - invarfrac))) { printf("\nWARNING: DIFFERENCE BETWEEN SPECIES %3ld AND %3ld", m, n); printf(" TOO LARGE FOR INVARIABLE SITES\n"); baddists = true; } if (jukesquick) { if (similarity) vv = (double)numerator / denominator; else { if (!gama && !invar) vv = -0.75 * log((4.0*((double)numerator / denominator) - 1.0) / 3.0); else if (!invar) vv = 0.75 * cvi * (exp(-(1/cvi)* log((4.0 * ((double)numerator / denominator) - 1.0) / 3.0)) - 1.0); else vv = 0.75 * cvi * (exp(-(1/cvi)* log((4.0 * ((double)numerator / denominator - invarfrac)/ (1.0-invarfrac) - 1.0) / 3.0)) - 1.0); } } if (kimquick) { num1 = 0; num2 = 0; denominator = 0; for (i = 0; i < endsite; i++) { memcpy(xx1, p->x[i][0], sizeof(sitelike)); memcpy(xx2, q->x[i][0], sizeof(sitelike)); sum = 0.0; sum1 = 0.0; sum2 = 0.0; for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) { sum1 += xx1[(long)b - (long)A]; sum2 += xx2[(long)b - (long)A]; sum += xx1[(long)b - (long)A] * xx2[(long)b - (long)A]; } sumyr = (xx1[0] + xx1[(long)G - (long)A]) * (xx2[0] + xx2[(long)G - (long)A]) + (xx1[(long)C - (long)A] + xx1[(long)T - (long)A]) * (xx2[(long)C - (long)A] + xx2[(long)T - (long)A]); if (sum1 == 1.0 && sum2 == 1.0) { num1 += (long)(weight[i] * sum); num2 += (long)(weight[i] * (sumyr - sum)); denominator += weight[i]; } } tt = ((1.0 - (double)num1 / denominator)-invarfrac)/(1.0-invarfrac); if (tt > 0.0) { delta = 0.1; tt = delta; it = 0; while (fabs(delta) > 0.00002 && it < iterationsd) { it++; if (!gama) { p1 = exp(-tt); p2 = exp(-xv * tt) - exp(-tt); p3 = 1.0 - exp(-xv * tt); } else { p1 = exp(-cvi * log(1 + tt / cvi)); p2 = exp(-cvi * log(1 + xv * tt / cvi)) - exp(-cvi * log(1 + tt / cvi)); p3 = 1.0 - exp(-cvi * log(1 + xv * tt / cvi)); } q1 = p1 + p2 / 2.0 + p3 / 4.0; q2 = p2 / 2.0 + p3 / 4.0; q3 = p3 / 2.0; q1 = q1 * (1.0-invarfrac) + invarfrac; q2 *= (1.0 - invarfrac); q3 *= (1.0 - invarfrac); if (!gama && !invar) slope = 0.5 * exp(-tt) * (num2 / q2 - num1 / q1) + 0.25 * xv * exp(-xv * tt) * ((denominator - num1 - num2) * 2 / q3 - num2 / q2 - num1 / q1); else slope = 0.5 * (1 / (1 + tt / cvi)) * exp(-cvi * log(1 + tt / cvi)) * (num2 / q2 - num1 / q1) + 0.25 * (xv / (1 + xv * tt / cvi)) * exp(-cvi * log(1 + xv * tt / cvi)) * ((denominator - num1 - num2) * 2 / q3 - num2 / q2 - num1 / q1); slope *= (1.0-invarfrac); if (slope < 0.0) delta = fabs(delta) / -2.0; else delta = fabs(delta); tt += delta; } } if ((delta >= 0.1) && (!similarity)) { printf("\nWARNING: DIFFERENCE BETWEEN SPECIES %3ld AND %3ld", m, n); if (invar) printf(" TOO LARGE FOR INVARIABLE SITES\n"); else printf(" TOO LARGE TO ESTIMATE DISTANCE\n"); baddists = true; } vv = fracchange * tt; } if (!(jukesquick || kimquick || logdet)) { prod = (double *)Malloc(sites*sizeof(double)); prod2 = (double *)Malloc(sites*sizeof(double)); prod3 = (double *)Malloc(sites*sizeof(double)); for (i = 0; i < endsite; i++) { memcpy(xx1, p->x[i][0], sizeof(sitelike)); memcpy(xx2, q->x[i][0], sizeof(sitelike)); xx1freqa = xx1[0] * freqa; xx1freqc = xx1[(long)C - (long)A] * freqc; xx1freqg = xx1[(long)G - (long)A] * freqg; xx1freqt = xx1[(long)T - (long)A] * freqt; sum1 = xx1freqa + xx1freqc + xx1freqg + xx1freqt; sum2 = freqa * xx2[0] + freqc * xx2[(long)C - (long)A] + freqg * xx2[(long)G - (long)A] + freqt * xx2[(long)T - (long)A]; prod[i] = sum1 * sum2; prod2[i] = (xx1freqa + xx1freqg) * (xx2[0] * freqar + xx2[(long)G - (long)A] * freqgr) + (xx1freqc + xx1freqt) * (xx2[(long)C - (long)A] * freqcy + xx2[(long)T - (long)A] * freqty); prod3[i] = xx1freqa * xx2[0] + xx1freqc * xx2[(long)C - (long)A] + xx1freqg * xx2[(long)G - (long)A] + xx1freqt * xx2[(long)T - (long)A]; } tt = 0.1; delta = 0.1; it = 1; while (it < iterationsd && fabs(delta) > 0.00002) { slope = 0.0; if (tt > 0.0) { lz = -tt; for (i = 0; i < categs; i++) { if (!gama) { tbl[i].z1 = exp(tbl[i].ratxv * lz); tbl[i].z1zz = exp(tbl[i].rat * lz); } else { tbl[i].z1 = exp(-cvi*log(1.0-tbl[i].ratxv * lz/cvi)); tbl[i].z1zz = exp(-cvi*log(1.0-tbl[i].rat * lz/cvi)); } tbl[i].y1 = 1.0 - tbl[i].z1; tbl[i].z1yy = tbl[i].z1 - tbl[i].z1zz; tbl[i].z1xv = tbl[i].z1 * xv; } for (i = 0; i < endsite; i++) { idx = category[alias[i] - 1]; cc = prod[i]; bb = prod2[i]; aa = prod3[i]; if (!gama && !invar) slope += weightrat[i] * (tbl[idx - 1].z1zz * (bb - aa) + tbl[idx - 1].z1xv * (cc - bb)) / (aa * tbl[idx - 1].z1zz + bb * tbl[idx - 1].z1yy + cc * tbl[idx - 1].y1); else slope += (1.0-invarfrac) * weightrat[i] * ( ((tbl[idx-1].rat)/(1.0-tbl[idx-1].rat * lz/cvi)) * tbl[idx - 1].z1zz * (bb - aa) + ((tbl[idx-1].ratxv)/(1.0-tbl[idx-1].ratxv * lz/cvi)) * tbl[idx - 1].z1 * (cc - bb)) / (aa * ((1.0-invarfrac)*tbl[idx - 1].z1zz + invarfrac) + bb * (1.0-invarfrac)*tbl[idx - 1].z1yy + cc * (1.0-invarfrac)*tbl[idx - 1].y1); } } if (slope < 0.0) delta = fabs(delta) / -2.0; else delta = fabs(delta); tt += delta; it++; } if ((delta >= 0.1) && (!similarity)) { printf("\nWARNING: DIFFERENCE BETWEEN SPECIES %3ld AND %3ld", m, n); if (invar) printf(" TOO LARGE FOR INVARIABLE SITES\n"); else printf(" TOO LARGE TO ESTIMATE DISTANCE\n"); baddists = true; } vv = tt * fracchange; free(prod); free(prod2); free(prod3); } if (logdetquick) { /* compute logdet when no ambiguous nucleotides */ for (i = 0; i < 4; i++) { basefreq1[i] = 0.0; basefreq2[i] = 0.0; for (j = 0; j < 4; j++) basetable[i][j] = 0.0; } for (i = 0; i < endsite; i++) { for (k = 0; p->x[i][0][k] == 0.0; k++); basefreq1[k] += weight[i]; for (l = 0; q->x[i][0][l] == 0.0; l++); basefreq2[l] += weight[i]; basetable[k][l] += weight[i]; } vv = lndet(basetable); if (vv == 99.0) { printf("\nNegative or zero determinant for distance between species"); printf(" %ld and %ld\n", m, n); baddists = true; } vv = -0.25*(vv - 0.5*(log(basefreq1[0])+log(basefreq1[1]) +log(basefreq1[2])+log(basefreq1[3]) +log(basefreq2[0])+log(basefreq2[1]) +log(basefreq2[2])+log(basefreq2[3]))); } *v = vv; } /* makev */ void makedists() { /* compute distance matrix */ long i, j; double v; inittable(); for (i = 0; i < endsite; i++) weightrat[i] = weight[i] * rate[category[alias[i] - 1] - 1]; if (progress) { printf("Distances calculated for species\n"); #ifdef WIN32 phyFillScreenColor(); #endif } for (i = 0; i < spp; i++) if (similarity) d[i][i] = 1.0; else d[i][i] = 0.0; baddists = false; for (i = 1; i < spp; i++) { if (progress) { printf(" "); for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); printf(" "); } for (j = i + 1; j <= spp; j++) { makev(i, j, &v); d[i - 1][j - 1] = v; d[j - 1][i - 1] = v; if (progress) { putchar('.'); fflush(stdout); } } if (progress) { putchar('\n'); #ifdef WIN32 phyFillScreenColor(); #endif } } if (baddists) exxit(-1); if (progress) { printf(" "); for (j = 0; j < nmlngth; j++) putchar(nayme[spp - 1][j]); putchar('\n'); } for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) free(nodep[i]->x[j]); free(nodep[i]->x); } } /* makedists */ void writedists() { /* write out distances */ long i, j, k, n; if (!printdata && !similarity) fprintf(outfile, "%5ld\n", spp); else fprintf(outfile, "\n"); if (!similarity) { for (i = 0; i < spp; i++) { for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); if (lower) k = i; else k = spp; for (j = 1; j <= k; j++) { fprintf(outfile, "%8.4f", d[i][j - 1]); if ((j + 1) % 9 == 0 && j < k) putc('\n', outfile); } putc('\n', outfile); } } else { for (i = 0; i < spp; i += 8) { if ((i+8) < spp) n = i+8; else n = spp; fprintf(outfile, " "); for (j = i; j < n ; j++) { for (k = 0; k < (nmlngth-3); k++) putc(nayme[j][k], outfile); putc(' ', outfile); } putc('\n', outfile); for (j = 0; j < spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j][k], outfile); if ((i+8) < spp) n = i+8; else n = spp; for (k = i; k < n ; k++) fprintf(outfile, "%8.4f", d[j][k]); putc('\n', outfile); } putc('\n', outfile); } } if (progress) printf("\nDistances written to file \"%s\"\n\n", outfilename); } /* writedists */ int main(int argc, Char *argv[]) { /* DNA Distances by Maximum Likelihood */ #ifdef MAC argc = 1; /* macsetup("Dnadist",""); */ argv[0] = "Dnadist"; #endif init(argc, argv); openfile(&infile,INFILE,"input file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; datasets = 1; firstset = true; doinit(); ttratio0 = ttratio; if (ctgry) openfile(&catfile,CATFILE,"categories file","r",argv[0],catfilename); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); for (ith = 1; ith <= datasets; ith++) { ttratio = ttratio0; getinput(); if (ith == 1) firstset = false; if (datasets > 1 && progress) printf("Data set # %ld:\n\n",ith); makedists(); writedists(); } FClose(infile); FClose(outfile); #ifdef MAC fixmacfile(outfilename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* DNA Distances by Maximum Likelihood */ ./arbsrc_9167/GDE/PHYLIP/dnainvar.c0000644012664100000130000006004511213220011016475 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxsp 4 /* maximum number of species -- must be 4 */ typedef enum { xx, yy, zz, ww } simbol; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void dnainvar_sitecombine(void); void makeweights(void); void doinput(void); void prntpatterns(void); void makesymmetries(void); void prntsymbol(simbol); void prntsymmetries(void); void tabulate(long,long,long,long,double *,double *,double *,double *); void dnainvar_writename(long); void writetree(long, long, long, long); void exacttest(long, long); void invariants(void); void makeinv(void); void reallocsites(void); /* function prototypes */ #endif extern sequence y; Char infilename[FNMLNGTH], outfilename[FNMLNGTH], weightfilename[FNMLNGTH]; long sites, msets, ith; boolean weights, progress, prntpat, printinv, mulsets, firstset, justwts; steptr aliasweight; long f[(long)ww - (long)xx + 1][(long)ww - (long)xx + 1] [(long)ww - (long)xx + 1]; /* made global from being local to makeinv */ void getoptions() { /* interactively set options */ long loopcount, loopcount2; boolean done; Char ch, ch2; fprintf(outfile, "\nNucleic acid sequence Invariants "); fprintf(outfile, "method, version %s\n\n",VERSION); putchar('\n'); printdata = false; weights = false; dotdiff = true; progress = true; prntpat = true; printinv = true; interleaved = true; loopcount = 0; do { cleerhome(); printf("\nNucleic acid sequence Invariants "); printf("method, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved?"); if (interleaved) printf(" Yes\n"); else printf(" No, sequential\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)?"); if (ibmpc) printf(" IBM PC\n"); if (ansi) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" 1 Print out the data at start of run"); if (printdata) printf(" Yes\n"); else printf(" No\n"); if (printdata) printf(" . Use dot-differencing to display them %s\n", dotdiff ? "Yes" : "No"); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out the counts of patterns"); if (prntpat) printf(" Yes\n"); else printf(" No\n"); printf(" 4 Print out the invariants"); if (printinv) printf(" Yes\n"); else printf(" No\n"); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if (strchr("WMI01.234",ch) != NULL) { switch (ch) { case 'W': weights = !weights; break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); } break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '.': dotdiff = !dotdiff; break; case '2': progress = !progress; break; case '3': prntpat = !prntpat; break; case '4': printinv = !printinv; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); } /* getoptions */ void reallocsites(void) { long i; for (i=0; i < spp; i++) { free(y[i]); y[i] = (Char *)Malloc(sites*sizeof(Char)); } free(weight); free(alias); free(aliasweight); weight = (steptr)Malloc(sites * sizeof(long)); alias = (steptr)Malloc(sites * sizeof(long)); aliasweight = (steptr)Malloc(sites * sizeof(long)); } void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(sites*sizeof(Char)); nayme = (naym *)Malloc(maxsp * sizeof(naym)); weight = (steptr)Malloc(sites * sizeof(long)); alias = (steptr)Malloc(sites * sizeof(long)); aliasweight = (steptr)Malloc(sites * sizeof(long)); } void doinit() { /* initializes variables */ inputnumbers(&spp, &sites, &nonodes, 1); if (spp > maxsp){ printf("TOO MANY SPECIES: only 4 allowed\n"); exxit(-1);} getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites); allocrest(); } /* doinit*/ void dnainvar_sitecombine() { /* combine sites that have identical patterns */ long i, j, k; boolean tied; i = 1; while (i < sites) { j = i + 1; tied = true; while (j <= sites && tied) { k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i - 1] - 1] == y[k - 1][alias[j - 1] - 1]); k++; } if (tied && aliasweight[j - 1] > 0) { aliasweight[i - 1] += aliasweight[j - 1]; aliasweight[j - 1] = 0; } j++; } i = j - 1; } } /* dnainvar_sitecombine */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i - 1] = i; aliasweight[i - 1] = weight[i - 1]; } sitesort(sites, aliasweight); dnainvar_sitecombine(); sitescrunch2(sites, 1, 2, aliasweight); for (i = 1; i <= sites; i++) { weight[i - 1] = aliasweight[i - 1]; if (weight[i - 1] > 0) endsite = i; } } /* makeweights */ void doinput() { /* reads the input data */ long i; if (justwts) { if (firstset) inputdata(sites); for (i = 0; i < sites; i++) weight[i] = 1; inputweights(sites, weight, &weights); if (justwts) { fprintf(outfile, "\n\nWeights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata) printweights(outfile, 0, sites, weight, "Sites"); } else { if (!firstset){ samenumsp(&sites, ith); reallocsites(); } inputdata(sites); for (i = 0; i < sites; i++) weight[i] = 1; if (weights) { inputweights(sites, weight, &weights); if (printdata) printweights(outfile, 0, sites, weight, "Sites"); } } makeweights(); } /* doinput */ void prntpatterns() { /* print out patterns */ long i, j; fprintf(outfile, "\n Pattern"); if (prntpat) fprintf(outfile, " Number of times"); fprintf(outfile, "\n\n"); for (i = 0; i < endsite; i++) { fprintf(outfile, " "); for (j = 0; j < spp; j++) putc(y[j][alias[i] - 1], outfile); if (prntpat) fprintf(outfile, " %8ld", weight[i]); putc('\n', outfile); } putc('\n', outfile); } /* prntpatterns */ void makesymmetries() { /* get frequencies of symmetrized patterns */ long i, j; boolean drop, usedz; Char ch, ch1, zchar; simbol s1, s2, s3; simbol t[maxsp - 1]; for (s1 = xx; (long)s1 <= (long)ww; s1 = (simbol)((long)s1 + 1)) { for (s2 = xx; (long)s2 <= (long)ww; s2 = (simbol)((long)s2 + 1)) { for (s3 = xx; (long)s3 <= (long)ww; s3 = (simbol)((long)s3 + 1)) f[(long)s1 - (long)xx][(long)s2 - (long)xx] [(long)s3 - (long)xx] = 0; } } for (i = 0; i < endsite; i++) { drop = false; for (j = 0; j < spp; j++) { ch = y[j][alias[i] - 1]; drop = (drop || (ch != 'A' && ch != 'C' && ch != 'G' && ch != 'T' && ch != 'U')); } ch1 = y[0][alias[i] - 1]; if (!drop) { usedz = false; zchar = ' '; for (j = 2; j <= spp; j++) { ch = y[j - 1][alias[i] - 1]; if (ch == ch1) t[j - 2] = xx; else if ((ch1 == 'A' && ch == 'G') || (ch1 == 'G' && ch == 'A') || (ch1 == 'C' && (ch == 'T' || ch == 'U')) || ((ch1 == 'T' || ch1 == 'U') && ch == 'C')) t[j - 2] = yy; else if (!usedz) { t[j - 2] = zz; usedz = true; zchar = ch; } else if (usedz && ch == zchar) t[j - 2] = zz; else if (usedz && ch != zchar) t[j - 2] = ww; } f[(long)t[0] - (long)xx][(long)t[1] - (long)xx] [(long)t[2] - (long)xx] += weight[i]; } } } /* makesymmetries */ void prntsymbol(simbol s) { /* print 1, 2, 3, 4 as appropriate */ switch (s) { case xx: putc('1', outfile); break; case yy: putc('2', outfile); break; case zz: putc('3', outfile); break; case ww: putc('4', outfile); break; } } /* prntsymbol */ void prntsymmetries() { /* print out symmetrized pattern numbers */ simbol s1, s2, s3; fprintf(outfile, "\nSymmetrized patterns (1, 2 = the two purines "); fprintf(outfile, "and 3, 4 = the two pyrimidines\n"); fprintf(outfile, " or 1, 2 = the two pyrimidines "); fprintf(outfile, "and 3, 4 = the two purines)\n\n"); for (s1 = xx; (long)s1 <= (long)ww; s1 = (simbol)((long)s1 + 1)) { for (s2 = xx; (long)s2 <= (long)ww; s2 = (simbol)((long)s2 + 1)) { for (s3 = xx; (long)s3 <= (long)ww; s3 = (simbol)((long)s3 + 1)) { if (f[(long)s1 - (long)xx][(long)s2 - (long)xx] [(long)s3 - (long)xx] > 0) { fprintf(outfile, " 1"); prntsymbol(s1); prntsymbol(s2); prntsymbol(s3); if (prntpat) fprintf(outfile, " %7ld", f[(long)s1 - (long)xx][(long)s2 - (long)xx] [(long)s3 - (long)xx]); putc('\n', outfile); } } } } } /* prntsymmetries */ void tabulate(long mm, long nn, long pp, long qq, double *mr, double *nr, double *pr, double *qr) { /* make quadratic invariant, table, chi-square */ long total; double k, TEMP; fprintf(outfile, "\n Contingency Table\n\n"); fprintf(outfile, "%7ld%6ld\n", mm, nn); fprintf(outfile, "%7ld%6ld\n\n", pp, qq); *mr = (long)(mm); *nr = (long)(nn); *pr = (long)pp; *qr = (long)qq; total = mm + nn + pp + qq; if (printinv) fprintf(outfile, " Quadratic invariant = %15.1f\n\n", (*nr) * (*pr) - (*mr) * (*qr)); fprintf(outfile, " Chi-square = "); TEMP = (*mr) * (*qr) - (*nr) * (*pr); k = total * (TEMP * TEMP) / (((*mr) + (*nr)) * ((*mr) + (*pr)) * ((*nr) + (*qr)) * ((*pr) + (*qr))); fprintf(outfile, "%10.5f", k); if ((*mr) * (*qr) > (*nr) * (*pr) && k > 2.71) fprintf(outfile, " (P < 0.05)\n"); else fprintf(outfile, " (not significant)\n"); fprintf(outfile, "\n\n"); } /* tabulate */ void dnainvar_writename(long m) { /* write out a species name */ long i, n; n = nmlngth; while (nayme[m - 1][n - 1] == ' ') n--; if (n == 0) n = 1; for (i = 0; i < n; i++) putc(nayme[m - 1][i], outfile); } /* dnainvar_writename */ void writetree(long i, long j, long k, long l) { /* write out tree topology ((i,j),(k,l)) using names */ fprintf(outfile, "(("); dnainvar_writename(i); putc(',', outfile); dnainvar_writename(j); fprintf(outfile, "),("); dnainvar_writename(k); putc(',', outfile); dnainvar_writename(l); fprintf(outfile, "))\n"); } /* writetree */ void exacttest(long m, long n) { /* exact binomial test that m <= n */ long i; double p, sum; p = 1.0; for (i = 1; i <= m + n; i++) p /= 2.0; sum = p; for (i = 1; i <= n; i++) { p = p * (m + n - i + 1) / i; sum += p; } fprintf(outfile, " %7.4f", sum); if (sum <= 0.05) fprintf(outfile, " yes\n"); else fprintf(outfile, " no\n"); } /* exacttest */ void invariants() { /* compute invariants */ long m, n, p, q; double L1, L2, L3; double mr,nr,pr,qr; fprintf(outfile, "\nTree topologies (unrooted): \n\n"); fprintf(outfile, " I: "); writetree(1, 2, 3, 4); fprintf(outfile, " II: "); writetree(1, 3, 2, 4); fprintf(outfile, " III: "); writetree(1, 4, 2, 3); fprintf(outfile, "\n\nLake's linear invariants\n"); fprintf(outfile, " (these are expected to be zero for the two incorrect tree topologies.\n"); fprintf(outfile, " This is tested by testing the equality of the two parts\n"); fprintf(outfile, " of each expression using a one-sided exact binomial test.\n"); fprintf(outfile, " The null hypothesis is that the first part is no larger than the second.)\n\n"); fprintf(outfile, " Tree "); fprintf(outfile, " Exact test P value Significant?\n\n"); m = f[(long)yy - (long)xx][(long)zz - (long)xx] [(long)ww - (long)xx] + f[0][(long)zz - (long)xx] [(long)zz - (long)xx]; n = f[(long)yy - (long)xx][(long)zz - (long)xx] [(long)zz - (long)xx] + f[0][(long)zz - (long)xx] [(long)ww - (long)xx]; fprintf(outfile, " I %5ld - %5ld = %5ld", m, n, m - n); exacttest(m, n); m = f[(long)zz - (long)xx][(long)yy - (long)xx] [(long)ww - (long)xx] + f[(long)zz - (long)xx][0] [(long)zz - (long)xx]; n = f[(long)zz - (long)xx][(long)yy - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx][0] [(long)ww - (long)xx]; fprintf(outfile, " II %5ld - %5ld = %5ld", m, n, m - n); exacttest(m, n); m = f[(long)zz - (long)xx][(long)ww - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx] [(long)zz - (long)xx][0]; n = f[(long)zz - (long)xx][(long)zz - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx] [(long)ww - (long)xx][0]; fprintf(outfile, " III%5ld - %5ld = %5ld", m, n, m - n); exacttest(m, n); fprintf(outfile, "\n\nCavender's quadratic invariants (type L)"); fprintf(outfile, " using purines vs. pyrimidines\n"); fprintf(outfile, " (these are expected to be zero, and thus have a nonsignificant\n"); fprintf(outfile, " chi-square, for the correct tree topology)\n"); fprintf(outfile, "They will be misled if there are substantially\n"); fprintf(outfile, "different evolutionary rate between sites, or\n"); fprintf(outfile, "different purine:pyrimidine ratios from 1:1.\n\n"); fprintf(outfile, " Tree I:\n"); m = f[0][0][0] + f[0][(long)yy - (long)xx] [(long)yy - (long)xx] + f[0][(long)zz - (long)xx] [(long)zz - (long)xx]; n = f[0][0][(long)yy - (long)xx] + f[0][0] [(long)zz - (long)xx] + f[0][(long)yy - (long)xx][0] + f[0] [(long)yy - (long)xx][(long)zz - (long)xx] + f[0] [(long)zz - (long)xx][0] + f[0][(long)zz - (long)xx] [(long)yy - (long)xx] + f[0][(long)zz - (long)xx] [(long)ww - (long)xx]; p = f[(long)yy - (long)xx][0][0] + f[(long)yy - (long)xx] [(long)yy - (long)xx] [(long)yy - (long)xx] + f[(long)yy - (long)xx] [(long)zz - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx][0] [0] + f[(long)zz - (long)xx][(long)yy - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx] [(long)zz - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)ww - (long)xx][(long)ww - (long)xx]; q = f[(long)yy - (long)xx][0][(long)yy - (long)xx] + f[(long)yy - (long)xx][0][(long)zz - (long)xx] + f[(long)yy - (long)xx][(long)yy - (long)xx][0] + f[(long)yy - (long)xx][(long)yy - (long)xx][(long)zz - (long)xx] + f[(long)yy - (long)xx][(long)zz - (long)xx][0] + f[(long)yy - (long)xx][(long)zz - (long)xx][(long)yy - (long)xx] + f[(long)yy - (long)xx][(long)zz - (long)xx][(long)ww - (long)xx] + f[(long)zz - (long)xx][0][(long)yy - (long)xx] + f[(long)zz - (long)xx][0][(long)zz - (long)xx] + f[(long)zz - (long)xx][0][(long)ww - (long)xx] + f[(long)zz - (long)xx][(long)yy - (long)xx][0] + f[(long)zz - (long)xx][(long)yy - (long)xx][(long)zz - (long)xx] + f[(long)zz - (long)xx][(long)yy - (long)xx][(long)ww - (long)xx] + f[(long)zz - (long)xx][(long)zz - (long)xx][0] + f[(long)zz - (long)xx][(long)zz - (long)xx][(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)zz - (long)xx][(long)ww - (long)xx] + f[(long)zz - (long)xx][(long)ww - (long)xx][0] + f[(long)zz - (long)xx][(long)ww - (long)xx][(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)ww - (long)xx][(long)zz - (long)xx]; nr = n; pr = p; mr = m; qr = q; L1 = nr * pr - mr * qr; tabulate(m, n, p, q, &mr,&nr,&pr,&qr); fprintf(outfile, " Tree II:\n"); m = f[0][0][0] + f[(long)yy - (long)xx][0] [(long)yy - (long)xx] + f[(long)zz - (long)xx][0] [(long)zz - (long)xx]; n = f[0][0][(long)yy - (long)xx] + f[0][0] [(long)zz - (long)xx] + f[(long)yy - (long)xx][0] [0] + f[(long)yy - (long)xx][0] [(long)zz - (long)xx] + f[(long)zz - (long)xx][0] [0] + f[(long)zz - (long)xx][0] [(long)yy - (long)xx] + f[(long)zz - (long)xx][0] [(long)ww - (long)xx]; p = f[0][(long)yy - (long)xx][0] + f[(long)yy - (long)xx] [(long)yy - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx] [(long)yy - (long)xx][(long)zz - (long)xx] + f[0] [(long)zz - (long)xx][0] + f[(long)yy - (long)xx] [(long)zz - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx] [(long)zz - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)ww - (long)xx][(long)zz - (long)xx]; q = f[0][(long)yy - (long)xx][(long)yy - (long)xx] + f[0] [(long)yy - (long)xx][(long)zz - (long)xx] + f[(long)yy - (long)xx][(long)yy - (long)xx][0] + f[(long)yy - (long)xx][(long)yy - (long)xx][(long)zz - (long)xx] + f[(long)zz - (long)xx][(long)yy - (long)xx][0] + f[(long)zz - (long)xx][(long)yy - (long)xx][(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)yy - (long)xx][(long)ww - (long)xx] + f[0][(long)zz - (long)xx][(long)yy - (long)xx] + f[0] [(long)zz - (long)xx][(long)zz - (long)xx] + f[0] [(long)zz - (long)xx][(long)ww - (long)xx] + f[(long)yy - (long)xx][(long)zz - (long)xx][0] + f[(long)yy - (long)xx][(long)zz - (long)xx][(long)zz - (long)xx] + f[(long)yy - (long)xx][(long)zz - (long)xx][(long)ww - (long)xx] + f[(long)zz - (long)xx][(long)zz - (long)xx][0] + f[(long)zz - (long)xx][(long)zz - (long)xx][(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)zz - (long)xx][(long)ww - (long)xx] + f[(long)zz - (long)xx][(long)ww - (long)xx][0] + f[(long)zz - (long)xx][(long)ww - (long)xx][(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)ww - (long)xx][(long)ww - (long)xx]; nr = n; pr = p; mr = m; qr = q; L2 = nr * pr - mr * qr; tabulate(m, n, p, q, &mr,&nr,&pr,&qr); fprintf(outfile, " Tree III:\n"); m = f[0][0][0] + f[(long)yy - (long)xx][(long)yy - (long)xx] [0] + f[(long)zz - (long)xx][(long)zz - (long)xx][0]; n = f[(long)yy - (long)xx][0][0] + f[(long)zz - (long)xx][0] [0] + f[0][(long)yy - (long)xx][0] + f[(long)zz - (long)xx] [(long)yy - (long)xx][0] + f[0][(long)zz - (long)xx] [0] + f[(long)yy - (long)xx][(long)zz - (long)xx] [0] + f[(long)zz - (long)xx][(long)ww - (long)xx][0]; p = f[0][0][(long)yy - (long)xx] + f[(long)yy - (long)xx] [(long)yy - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx] [(long)zz - (long)xx][(long)yy - (long)xx] + f[0][0] [(long)zz - (long)xx] + f[(long)yy - (long)xx] [(long)yy - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)zz - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)zz - (long)xx][(long)ww - (long)xx]; q = f[(long)yy - (long)xx][0][(long)yy - (long)xx] + f[(long)zz - (long)xx] [0][(long)yy - (long)xx] + f[0][(long)yy - (long)xx][(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)yy - (long)xx][(long)yy - (long)xx] + f[0][(long)zz - (long)xx] [(long)yy - (long)xx] + f[(long)yy - (long)xx][(long)zz - (long)xx] [(long)yy - (long)xx] + f[(long)zz - (long)xx][(long)ww - (long)xx] [(long)yy - (long)xx] + f[(long)yy - (long)xx][0] [(long)zz - (long)xx] + f[(long)zz - (long)xx][0] [(long)zz - (long)xx] + f[0][(long)zz - (long)xx] [(long)ww - (long)xx] + f[0][(long)yy - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)yy - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)yy - (long)xx][(long)ww - (long)xx] + f[0] [(long)zz - (long)xx] [(long)zz - (long)xx] + f[(long)yy - (long)xx] [(long)zz - (long)xx] [(long)zz - (long)xx] + f[(long)zz - (long)xx] [(long)ww - (long)xx] [(long)ww - (long)xx] + f[(long)zz - (long)xx][0] [(long)ww - (long)xx] + f[(long)yy - (long)xx] [(long)zz - (long)xx][(long)ww - (long)xx] + f[(long)zz - (long)xx][(long)ww - (long)xx][(long)zz - (long)xx]; nr = n; pr = p; mr = m; qr = q; L3 = nr * pr - mr * qr; tabulate(m, n, p, q, &mr,&nr,&pr,&qr); fprintf(outfile, "\n\nCavender's quadratic invariants (type K)"); fprintf(outfile, " using purines vs. pyrimidines\n"); fprintf(outfile, " (these are expected to be zero for the correct tree topology)\n"); fprintf(outfile, "They will be misled if there are substantially\n"); fprintf(outfile, "different evolutionary rate between sites, or\n"); fprintf(outfile, "different purine:pyrimidine ratios from 1:1.\n"); fprintf(outfile, "No statistical test is done on them here.\n\n"); fprintf(outfile, " Tree I: %15.1f\n", L2 - L3); fprintf(outfile, " Tree II: %15.1f\n", L3 - L1); fprintf(outfile, " Tree III: %15.1f\n\n", L1 - L2); } /* invariants */ void makeinv() { /* print out patterns and compute invariants */ prntpatterns(); makesymmetries(); prntsymmetries(); if (printinv) invariants(); } /* makeinv */ int main(int argc, Char *argv[]) { /* DNA Invariants */ #ifdef MAC argc = 1; /* macsetup("Dnainvar",""); */ argv[0] = "Dnainvar"; #endif init(argc,argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; firstset = true; msets = 1; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); for (ith = 1; ith <= msets; ith++) { doinput(); if (ith == 1) firstset = false; if (msets > 1 && !justwts) { if (progress) printf("\nData set # %ld:\n",ith); fprintf(outfile, "Data set # %ld:\n\n",ith); } makeinv(); } if (progress) { putchar('\n'); printf("Output written to output file \"%s\"\n", outfilename); putchar('\n'); } FClose(outfile); FClose(infile); #ifdef MAC fixmacfile(outfilename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* DNA Invariants */ ./arbsrc_9167/GDE/PHYLIP/dnaml.c0000644012664100000130000020164411213220011015770 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, Andrew Keeffe, Dan Fineman, and Patrick Colacurcio. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ typedef struct valrec { double rat, ratxi, ratxv, orig_zz, z1, y1, z1zz, z1yy, xiz1, xiy1xv; double *ww, *zz, *wwzz, *vvzz; } valrec; typedef long vall[maxcategs]; typedef double contribarr[maxcategs]; #ifndef OLDC /* function prototypes */ void dnamlcopy(tree *, tree *, long, long); void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void makeweights(void); void getinput(void); void inittable_for_usertree(FILE *); void inittable(void); double evaluate(node *, boolean); void alloc_nvd (long, nuview_data *); void free_nvd (nuview_data *); void nuview(node *); void slopecurv(node *, double, double *, double *, double *); void makenewv(node *); void update(node *); void smooth(node *); void insert_(node *, node *, boolean); void dnaml_re_move(node **, node **); void buildnewtip(long, tree *); void buildsimpletree(tree *); void addtraverse(node *, node *, boolean); void rearrange(node *, node *); void initdnamlnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void dnaml_coordinates(node *, double, long *, double *); void dnaml_printree(void); void sigma(node *, double *, double *, double *); void describe(node *); void reconstr(node *, long); void rectrav(node *, long, long); void summarize(void); void dnaml_treeout(node *); void inittravtree(node *); void treevaluate(void); void maketree(void); void clean_up(void); void reallocsites(void); /* function prototypes */ #endif extern sequence y; double fracchange; long rcategs; boolean haslengths; Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], catfilename[FNMLNGTH], weightfilename[FNMLNGTH]; double *rate, *rrate, *probcat; long nonodes2, sites, weightsum, categs, datasets, ith, njumble, jumb; long parens; boolean freqsfrom, global, jumble, weights, trout, usertree, reconsider, ctgry, rctgry, auto_, hypstate, ttr, progress, mulsets, justwts, firstset, improve, smoothit, polishing, lngths, gama, invar; tree curtree, bestree, bestree2, priortree; node *qwhere, *grbg; double xi, xv, ttratio, ttratio0, freqa, freqc, freqg, freqt, freqr, freqy, freqar, freqcy, freqgr, freqty, cv, alpha, lambda, invarfrac, bestyet; long *enterorder, inseed, inseed0; steptr aliasweight; contribarr *contribution, like, nulike, clai; double **term, **slopeterm, **curveterm; longer seed; Char* progname; char basechar[16]="acmgrsvtwyhkdbn"; /* Local variables for maketree, propagated globally for c version: */ long k, nextsp, numtrees, maxwhich, mx, mx0, mx1; double dummy, maxlogl; boolean succeeded, smoothed; double **l0gf; double *l0gl; valrec ***tbl; Char ch, ch2; long col; vall *mp=NULL; void dnamlcopy(tree *a, tree *b, long nonodes, long categs) { /* used in dnaml & dnamlk */ long i, j; node *p, *q; for (i = 0; i < spp; i++) { copynode(a->nodep[i], b->nodep[i], categs); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes; i++) { p = a->nodep[i]; q = b->nodep[i]; for (j = 1; j <= 3; j++) { copynode(p, q, categs); if (p->back) { if (p->back == a->nodep[p->back->index - 1]) q->back = b->nodep[p->back->index - 1]; else if (p->back == a->nodep[p->back->index - 1]->next) q->back = b->nodep[p->back->index - 1]->next; else q->back = b->nodep[p->back->index - 1]->next->next; } else q->back = NULL; p = p->next; q = q->next; } } b->likelihood = a->likelihood; b->start = a->start; /* start used in dnaml only */ b->root = a->root; /* root used in dnamlk only */ } /* dnamlcopy plc*/ void getoptions() { /* interactively set options */ long i, loopcount, loopcount2; Char ch; boolean didchangecat, didchangercat; double probsum; fprintf(outfile, "\nNucleic acid sequence Maximum Likelihood"); fprintf(outfile, " method, version %s\n\n",VERSION); putchar('\n'); ctgry = false; didchangecat = false; rctgry = false; didchangercat = false; categs = 1; rcategs = 1; auto_ = false; freqsfrom = true; gama = false; global = false; hypstate = false; improve = false; invar = false; jumble = false; njumble = 1; lngths = false; lambda = 1.0; outgrno = 1; outgropt = false; reconsider = false; trout = true; ttratio = 2.0; ttr = false; usertree = false; weights = false; printdata = false; progress = true; treeprint = true; interleaved = true; loopcount = 0; for (;;){ cleerhome(); printf("Nucleic acid sequence Maximum Likelihood"); printf(" method, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (usertree) { printf(" L Use lengths from user trees? %s\n", (lngths ? "Yes" : "No")); } printf(" T Transition/transversion ratio:%8.4f\n", (ttr ? ttratio : 2.0)); printf(" F Use empirical base frequencies? %s\n", (freqsfrom ? "Yes" : "No")); printf(" C One category of sites?"); if (!ctgry || categs == 1) printf(" Yes\n"); else printf(" %ld categories of sites\n", categs); printf(" R Rate variation among sites?"); if (!rctgry) printf(" constant rate\n"); else { if (gama) printf(" Gamma distributed rates\n"); else { if (invar) printf(" Gamma+Invariant sites\n"); else printf(" user-defined HMM of rates\n"); } printf(" A Rates at adjacent sites correlated?"); if (!auto_) printf(" No, they are independent\n"); else printf(" Yes, mean block length =%6.1f\n", 1.0 / lambda); } printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); if ((!usertree) || reconsider) { printf(" S Speedier but rougher analysis? %s\n", (improve ? "No, not rough" : "Yes")); printf(" G Global rearrangements? %s\n", (global ? "Yes" : "No")); } if (!usertree) { printf(" J Randomize input order of sequences?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } else printf(" V Rearrange starting with user tree? %s\n", (reconsider ? "Yes" : "No")); printf(" O Outgroup root? %s%3ld\n", (outgropt ? "Yes, at sequence number" : "No, use as outgroup species"),outgrno); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", datasets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf(" 5 Reconstruct hypothetical sequences? %s\n", (hypstate ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("ULTFCRAWSGJVOMI012345",ch) != NULL){ switch (ch) { case 'F': freqsfrom = !freqsfrom; if (!freqsfrom) { initfreqs(&freqa, &freqc, &freqg, &freqt); } break; case 'C': ctgry = !ctgry; if (ctgry) { printf("\nSitewise user-assigned categories:\n\n"); initcatn(&categs); if (rate){ free(rate); } rate = (double *) Malloc(categs * sizeof(double)); didchangecat = true; initcategs(categs, rate); } break; case 'R': if (!rctgry) { rctgry = true; gama = true; } else { if (gama) { gama = false; invar = true; } else { if (invar) invar = false; else rctgry = false; } } break; case 'A': auto_ = !auto_; if (auto_) initlambda(&lambda); break; case 'W': weights = !weights; break; case 'S': improve = !improve; break; case 'G': global = !global; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lngths = !lngths; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'T': ttr = !ttr; if (ttr) { initratio(&ttratio); } break; case 'U': usertree = !usertree; break; case 'V': reconsider = !reconsider; break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&datasets); else initdatasets(&datasets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; case '5': hypstate = !hypstate; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } if (gama || invar) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among sites (must be positive)\n"); printf( " In gamma distribution parameters, this is 1/(square root of alpha)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &cv); getchar(); countup(&loopcount, 10); } while (cv <= 0.0); alpha = 1.0 / (cv * cv); } if (!rctgry) auto_ = false; if (rctgry) { printf("\nRates in HMM"); if (invar) printf(" (including one for invariant sites)"); printf(":\n"); initcatn(&rcategs); if (probcat){ free(probcat); free(rrate); } probcat = (double *) Malloc(rcategs * sizeof(double)); rrate = (double *) Malloc(rcategs * sizeof(double)); didchangercat = true; if (gama) initgammacat(rcategs, alpha, rrate, probcat); else { if (invar) { loopcount = 0; do { printf("Fraction of invariant sites?\n"); scanf("%lf%*[^\n]", &invarfrac); getchar(); countup (&loopcount, 10); } while ((invarfrac <= 0.0) || (invarfrac >= 1.0)); initgammacat(rcategs-1, alpha, rrate, probcat); for (i = 0; i < rcategs-1; i++) probcat[i] = probcat[i]*(1.0-invarfrac); probcat[rcategs-1] = invarfrac; rrate[rcategs-1] = 0.0; } else { initcategs(rcategs, rrate); initprobcat(rcategs, &probsum, probcat); } } } if (!didchangercat){ rrate = (double *) Malloc(rcategs*sizeof(double)); probcat = (double *) Malloc(rcategs*sizeof(double)); rrate[0] = 1.0; probcat[0] = 1.0; } if (!didchangecat){ rate = (double *) Malloc(categs*sizeof(double)); rate[0] = 1.0; } } /* getoptions */ void reallocsites(void) { long i; for (i=0; i < spp; i++) { free(y[i]); y[i] = (Char *) Malloc(sites*sizeof(Char)); } free(category); free(weight); free(alias); free(ally); free(location); free(aliasweight); category = (long *) Malloc(sites*sizeof(long)); weight = (long *) Malloc(sites*sizeof(long)); alias = (long *) Malloc(sites*sizeof(long)); ally = (long *) Malloc(sites*sizeof(long)); location = (long *) Malloc(sites*sizeof(long)); aliasweight = (long *) Malloc(sites*sizeof(long)); } void allocrest() { long i; y = (Char **) Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *) Malloc(sites*sizeof(Char)); nayme = (naym *) Malloc(spp*sizeof(naym));; enterorder = (long *) Malloc(spp*sizeof(long)); category = (long *) Malloc(sites*sizeof(long)); weight = (long *) Malloc(sites*sizeof(long)); alias = (long *) Malloc(sites*sizeof(long)); ally = (long *) Malloc(sites*sizeof(long)); location = (long *) Malloc(sites*sizeof(long)); aliasweight = (long *) Malloc(sites*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &sites, &nonodes2, 2); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites); alloctree(&curtree.nodep, nonodes2, usertree); allocrest(); if (usertree && !reconsider) return; alloctree(&bestree.nodep, nonodes2, 0); alloctree(&priortree.nodep, nonodes2, 0); if (njumble <= 1) return; alloctree(&bestree2.nodep, nonodes2, 0); } /* doinit */ void inputoptions() { long i; if (!firstset && !justwts) { samenumsp(&sites, ith); reallocsites(); } for (i = 0; i < sites; i++) category[i] = 1; for (i = 0; i < sites; i++) weight[i] = 1; if (justwts || weights) inputweights(sites, weight, &weights); weightsum = 0; for (i = 0; i < sites; i++) weightsum += weight[i]; if (ctgry && categs > 1) { inputcategs(0, sites, category, categs, "DnaML"); if (printdata) printcategs(outfile, sites, category, "Site categories"); } if (weights && printdata) printweights(outfile, 0, sites, weight, "Sites"); } /* inputoptions */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i - 1] = i; ally[i - 1] = 0; aliasweight[i - 1] = weight[i - 1]; location[i - 1] = 0; } sitesort2 (sites, aliasweight); sitecombine2(sites, aliasweight); sitescrunch2(sites, 1, 2, aliasweight); for (i = 1; i <= sites; i++) { if (aliasweight[i - 1] > 0) endsite = i; } for (i = 1; i <= endsite; i++) { location[alias[i - 1] - 1] = i; ally[alias[i - 1] - 1] = alias[i - 1]; } term = (double **) Malloc( endsite * sizeof(double *)); for (i = 0; i < endsite; i++) term[i] = (double *) Malloc( rcategs * sizeof(double)); slopeterm = (double **) Malloc( endsite * sizeof(double *)); for (i = 0; i < endsite; i++) slopeterm[i] = (double *) Malloc( rcategs * sizeof(double)); curveterm = (double **) Malloc(endsite * sizeof(double *)); for (i = 0; i < endsite; i++) curveterm[i] = (double *) Malloc( rcategs * sizeof(double)); mp = (vall *) Malloc( sites*sizeof(vall)); contribution = (contribarr *) Malloc( endsite*sizeof(contribarr)); } /* makeweights */ void getinput() { /* reads the input data */ inputoptions(); if (!freqsfrom) getbasefreqs(freqa, freqc, freqg, freqt, &freqr, &freqy, &freqar, &freqcy, &freqgr, &freqty, &ttratio, &xi, &xv, &fracchange, freqsfrom, true); if (!justwts || firstset) inputdata(sites); makeweights(); setuptree2(curtree); if (!usertree || reconsider) { setuptree2(bestree); setuptree2(priortree); if (njumble > 1) setuptree2(bestree2); } allocx(nonodes2, rcategs, curtree.nodep, usertree); if (!usertree || reconsider) { allocx(nonodes2, rcategs, bestree.nodep, 0); allocx(nonodes2, rcategs, priortree.nodep, 0); if (njumble > 1) allocx(nonodes2, rcategs, bestree2.nodep, 0); } makevalues2(rcategs, curtree.nodep, endsite, spp, y, alias); if (freqsfrom) { empiricalfreqs(&freqa, &freqc, &freqg, &freqt, aliasweight, curtree.nodep); getbasefreqs(freqa, freqc, freqg, freqt, &freqr, &freqy, &freqar, &freqcy, &freqgr, &freqty, &ttratio, &xi, &xv, &fracchange, freqsfrom, true); } if (!justwts || firstset) fprintf(outfile, "\nTransition/transversion ratio = %10.6f\n\n", ttratio); } /* getinput */ void inittable_for_usertree(FILE *intree) { /* If there's a user tree, then the ww/zz/wwzz/vvzz elements need to be allocated appropriately. */ long num_comma; long i, j; /* First, figure out the largest possible furcation, i.e. the number of commas plus one */ countcomma(&intree, &num_comma); num_comma++; for (i = 0; i < rcategs; i++) { for (j = 0; j < categs; j++) { /* Free the stuff allocated assuming bifurcations */ free (tbl[i][j]->ww); free (tbl[i][j]->zz); free (tbl[i][j]->wwzz); free (tbl[i][j]->vvzz); /* Then allocate for worst-case multifurcations */ tbl[i][j]->ww = (double *) Malloc( num_comma * sizeof (double)); tbl[i][j]->zz = (double *) Malloc( num_comma * sizeof (double)); tbl[i][j]->wwzz = (double *) Malloc( num_comma * sizeof (double)); tbl[i][j]->vvzz = (double *) Malloc( num_comma * sizeof (double)); } } } /* inittable_for_usertree */ void inittable() { /* Define a lookup table. Precompute values and print them out in tables */ long i, j; double sumrates; tbl = (valrec ***) Malloc(rcategs * sizeof(valrec **)); for (i = 0; i < rcategs; i++) { tbl[i] = (valrec **) Malloc(categs*sizeof(valrec *)); for (j = 0; j < categs; j++) tbl[i][j] = (valrec *) Malloc(sizeof(valrec)); } for (i = 0; i < rcategs; i++) { for (j = 0; j < categs; j++) { tbl[i][j]->rat = rrate[i]*rate[j]; tbl[i][j]->ratxi = tbl[i][j]->rat * xi; tbl[i][j]->ratxv = tbl[i][j]->rat * xv; /* Allocate assuming bifurcations, will be changed later if neccesarry (i.e. there's a user tree) */ tbl[i][j]->ww = (double *) Malloc( 2 * sizeof (double)); tbl[i][j]->zz = (double *) Malloc( 2 * sizeof (double)); tbl[i][j]->wwzz = (double *) Malloc( 2 * sizeof (double)); tbl[i][j]->vvzz = (double *) Malloc( 2 * sizeof (double)); } } if (!lngths) { /* restandardize rates */ sumrates = 0.0; for (i = 0; i < endsite; i++) { for (j = 0; j < rcategs; j++) sumrates += aliasweight[i] * probcat[j] * tbl[j][category[alias[i] - 1] - 1]->rat; } sumrates /= (double)sites; for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->rat /= sumrates; tbl[i][j]->ratxi /= sumrates; tbl[i][j]->ratxv /= sumrates; } } if (rcategs > 1) { if (gama) { fprintf(outfile, "\nDiscrete approximation to gamma distributed rates\n"); fprintf(outfile, " Coefficient of variation of rates = %f (alpha = %f)\n", cv, alpha); } fprintf(outfile, "\nState in HMM Rate of change Probability\n\n"); for (i = 0; i < rcategs; i++) if (probcat[i] < 0.0001) fprintf(outfile, "%9ld%16.3f%20.6f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.001) fprintf(outfile, "%9ld%16.3f%19.5f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.01) fprintf(outfile, "%9ld%16.3f%18.4f\n", i+1, rrate[i], probcat[i]); else fprintf(outfile, "%9ld%16.3f%17.3f\n", i+1, rrate[i], probcat[i]); putc('\n', outfile); if (auto_) fprintf(outfile, "Expected length of a patch of sites having the same rate = %8.3f\n", 1/lambda); putc('\n', outfile); } if (categs > 1) { fprintf(outfile, "\nSite category Rate of change\n\n"); for (i = 0; i < categs; i++) fprintf(outfile, "%9ld%16.3f\n", i+1, rate[i]); } if ((rcategs > 1) || (categs >> 1)) fprintf(outfile, "\n\n"); } /* inittable */ double evaluate(node *p, boolean saveit) { contribarr tterm; double sum, sum2, sumc, y, lz, y1, z1zz, z1yy, prod12, prod1, prod2, prod3, sumterm, lterm; long i, j, k, lai; node *q; sitelike x1, x2; sum = 0.0; q = p->back; y = p->v; lz = -y; for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->orig_zz = exp(tbl[i][j]->ratxi * lz); tbl[i][j]->z1 = exp(tbl[i][j]->ratxv * lz); tbl[i][j]->z1zz = tbl[i][j]->z1 * tbl[i][j]->orig_zz; tbl[i][j]->z1yy = tbl[i][j]->z1 - tbl[i][j]->z1zz; } for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { if (y > 0.0) { y1 = 1.0 - tbl[j][k]->z1; z1zz = tbl[j][k]->z1zz; z1yy = tbl[j][k]->z1yy; } else { y1 = 0.0; z1zz = 1.0; z1yy = 0.0; } memcpy(x1, p->x[i][j], sizeof(sitelike)); prod1 = freqa * x1[0] + freqc * x1[(long)C - (long)A] + freqg * x1[(long)G - (long)A] + freqt * x1[(long)T - (long)A]; memcpy(x2, q->x[i][j], sizeof(sitelike)); prod2 = freqa * x2[0] + freqc * x2[(long)C - (long)A] + freqg * x2[(long)G - (long)A] + freqt * x2[(long)T - (long)A]; prod3 = (x1[0] * freqa + x1[(long)G - (long)A] * freqg) * (x2[0] * freqar + x2[(long)G - (long)A] * freqgr) + (x1[(long)C - (long)A] * freqc + x1[(long)T - (long)A] * freqt) * (x2[(long)C - (long)A] * freqcy + x2[(long)T - (long)A] * freqty); prod12 = freqa * x1[0] * x2[0] + freqc * x1[(long)C - (long)A] * x2[(long)C - (long)A] + freqg * x1[(long)G - (long)A] * x2[(long)G - (long)A] + freqt * x1[(long)T - (long)A] * x2[(long)T - (long)A]; tterm[j] = z1zz * prod12 + z1yy * prod3 + y1 * prod1 * prod2; } sumterm = 0.0; for (j = 0; j < rcategs; j++) sumterm += probcat[j] * tterm[j]; lterm = log(sumterm); for (j = 0; j < rcategs; j++) clai[j] = tterm[j] / sumterm; memcpy(contribution[i], clai, rcategs*sizeof(double)); if (saveit && !auto_ && usertree) l0gf[which - 1][i] = lterm; sum += aliasweight[i] * lterm; } for (j = 0; j < rcategs; j++) like[j] = 1.0; for (i = 0; i < sites; i++) { sumc = 0.0; for (k = 0; k < rcategs; k++) sumc += probcat[k] * like[k]; sumc *= lambda; if ((ally[i] > 0) && (location[ally[i]-1] > 0)) { lai = location[ally[i] - 1]; memcpy(clai, contribution[lai - 1], rcategs*sizeof(double)); for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc) * clai[j]; } else { for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc); } memcpy(like, nulike, rcategs*sizeof(double)); } sum2 = 0.0; for (i = 0; i < rcategs; i++) sum2 += probcat[i] * like[i]; sum += log(sum2); curtree.likelihood = sum; if (!saveit || auto_ || !usertree) return sum; l0gl[which - 1] = sum; if (which == 1) { maxwhich = 1; maxlogl = sum; return sum; } if (sum > maxlogl) { maxwhich = which; maxlogl = sum; } return sum; } /* evaluate */ void alloc_nvd (long num_sibs, nuview_data *local_nvd) { /* Allocate blocks of memory appropriate for the number of siblings a given node has */ local_nvd->yy = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->wwzz = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->vvzz = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->vzsumr = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->vzsumy = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->sum = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->sumr = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->sumy = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->xx = (sitelike *) Malloc( num_sibs * sizeof (sitelike)); } /* alloc_nvd */ void free_nvd (nuview_data *local_nvd) { /* The natural complement to the alloc version */ free (local_nvd->yy); free (local_nvd->wwzz); free (local_nvd->vvzz); free (local_nvd->vzsumr); free (local_nvd->vzsumy); free (local_nvd->sum); free (local_nvd->sumr); free (local_nvd->sumy); free (local_nvd->xx); } /* free_nvd */ void nuview(node *p) { long i, j, k, num_sibs, sib_index; nuview_data *local_nvd; node *sib_ptr, *sib_back_ptr; sitelike p_xx; double lw; /* Figure out how many siblings the current node has */ num_sibs = count_sibs (p); /* Recursive calls, should be called for all children */ sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (!sib_back_ptr->tip && !sib_back_ptr->initialized) nuview (sib_back_ptr); } /* Allocate the structure and blocks therein for variables used in this function */ local_nvd = (nuview_data *) Malloc( sizeof (nuview_data)); alloc_nvd (num_sibs, local_nvd); /* Loop 1: makes assignments to tbl based on some combination of what's already in tbl and the children's value of v */ sib_ptr = p; for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; lw = - (sib_back_ptr->v); for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->ww[sib_index] = exp(tbl[i][j]->ratxi * lw); tbl[i][j]->zz[sib_index] = exp(tbl[i][j]->ratxv * lw); tbl[i][j]->wwzz[sib_index] = tbl[i][j]->ww[sib_index] * tbl[i][j]->zz[sib_index]; tbl[i][j]->vvzz[sib_index] = (1.0 - tbl[i][j]->ww[sib_index]) * tbl[i][j]->zz[sib_index]; } } /* Loop 2: */ for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { /* Loop 2.1 */ sib_ptr = p; for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; local_nvd->wwzz[sib_index] = tbl[j][k]->wwzz[sib_index]; local_nvd->vvzz[sib_index] = tbl[j][k]->vvzz[sib_index]; local_nvd->yy[sib_index] = 1.0 - tbl[j][k]->zz[sib_index]; memcpy(local_nvd->xx[sib_index], sib_back_ptr->x[i][j], sizeof(sitelike)); } /* Loop 2.2 */ for (sib_index=0; sib_index < num_sibs; sib_index++) { local_nvd->sum[sib_index] = local_nvd->yy[sib_index] * (freqa * local_nvd->xx[sib_index][(long)A] + freqc * local_nvd->xx[sib_index][(long)C] + freqg * local_nvd->xx[sib_index][(long)G] + freqt * local_nvd->xx[sib_index][(long)T]); local_nvd->sumr[sib_index] = freqar * local_nvd->xx[sib_index][(long)A] + freqgr * local_nvd->xx[sib_index][(long)G]; local_nvd->sumy[sib_index] = freqcy * local_nvd->xx[sib_index][(long)C] + freqty * local_nvd->xx[sib_index][(long)T]; local_nvd->vzsumr[sib_index] = local_nvd->vvzz[sib_index] * local_nvd->sumr[sib_index]; local_nvd->vzsumy[sib_index] = local_nvd->vvzz[sib_index] * local_nvd->sumy[sib_index]; } /* Initialize to one, multiply incremental values for every sibling a node has */ p_xx[(long)A] = 1 ; p_xx[(long)C] = 1 ; p_xx[(long)G] = 1 ; p_xx[(long)T] = 1 ; for (sib_index=0; sib_index < num_sibs; sib_index++) { p_xx[(long)A] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)A] + local_nvd->vzsumr[sib_index]; p_xx[(long)C] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)C] + local_nvd->vzsumy[sib_index]; p_xx[(long)G] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)G] + local_nvd->vzsumr[sib_index]; p_xx[(long)T] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)T] + local_nvd->vzsumy[sib_index]; } /* And the final point of this whole function: */ memcpy(p->x[i][j], p_xx, sizeof(sitelike)); } } p->initialized = true; free_nvd (local_nvd); free (local_nvd); } /* nuview */ void slopecurv(node *p,double y,double *like,double *slope,double *curve) { /* compute log likelihood, slope and curvature at node p */ long i, j, k, lai; double sum, sumc, sumterm, lterm, sumcs, sumcc, sum2, slope2, curve2, temp; double lz, zz, z1, zzs, z1s, zzc, z1c, aa, bb, cc, prod1, prod2, prod12, prod3; contribarr thelike, nulike, nuslope, nucurve, theslope, thecurve, clai, cslai, cclai; node *q; sitelike x1, x2; q = p->back; sum = 0.0; lz = -y; for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->orig_zz = exp(tbl[i][j]->rat * lz); tbl[i][j]->z1 = exp(tbl[i][j]->ratxv * lz); } for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { if (y > 0.0) { zz = tbl[j][k]->orig_zz; z1 = tbl[j][k]->z1; } else { zz = 1.0; z1 = 1.0; } zzs = -tbl[j][k]->rat * zz ; z1s = -tbl[j][k]->ratxv * z1 ; temp = tbl[j][k]->rat; zzc = temp * temp * zz; temp = tbl[j][k]->ratxv; z1c = temp * temp * z1; memcpy(x1, p->x[i][j], sizeof(sitelike)); prod1 = freqa * x1[0] + freqc * x1[(long)C - (long)A] + freqg * x1[(long)G - (long)A] + freqt * x1[(long)T - (long)A]; memcpy(x2, q->x[i][j], sizeof(sitelike)); prod2 = freqa * x2[0] + freqc * x2[(long)C - (long)A] + freqg * x2[(long)G - (long)A] + freqt * x2[(long)T - (long)A]; prod3 = (x1[0] * freqa + x1[(long)G - (long)A] * freqg) * (x2[0] * freqar + x2[(long)G - (long)A] * freqgr) + (x1[(long)C - (long)A] * freqc + x1[(long)T - (long)A] * freqt) * (x2[(long)C - (long)A] * freqcy + x2[(long)T - (long)A] * freqty); prod12 = freqa * x1[0] * x2[0] + freqc * x1[(long)C - (long)A] * x2[(long)C - (long)A] + freqg * x1[(long)G - (long)A] * x2[(long)G - (long)A] + freqt * x1[(long)T - (long)A] * x2[(long)T - (long)A]; aa = prod12 - prod3; bb = prod3 - prod1*prod2; cc = prod1 * prod2; term[i][j] = zz * aa + z1 * bb + cc; slopeterm[i][j] = zzs * aa + z1s * bb; curveterm[i][j] = zzc * aa + z1c * bb; } sumterm = 0.0; for (j = 0; j < rcategs; j++) sumterm += probcat[j] * term[i][j]; lterm = log(sumterm); for (j = 0; j < rcategs; j++) { term[i][j] = term[i][j] / sumterm; slopeterm[i][j] = slopeterm[i][j] / sumterm; curveterm[i][j] = curveterm[i][j] / sumterm; } sum += aliasweight[i] * lterm; } for (i = 0; i < rcategs; i++) { thelike[i] = 1.0; theslope[i] = 0.0; thecurve[i] = 0.0; } for (i = 0; i < sites; i++) { sumc = 0.0; sumcs = 0.0; sumcc = 0.0; for (k = 0; k < rcategs; k++) { sumc += probcat[k] * thelike[k]; sumcs += probcat[k] * theslope[k]; sumcc += probcat[k] * thecurve[k]; } sumc *= lambda; sumcs *= lambda; sumcc *= lambda; if ((ally[i] > 0) && (location[ally[i]-1] > 0)) { lai = location[ally[i] - 1]; memcpy(clai, term[lai - 1], rcategs*sizeof(double)); memcpy(cslai, slopeterm[lai - 1], rcategs*sizeof(double)); memcpy(cclai, curveterm[lai - 1], rcategs*sizeof(double)); if (weight[i] > 1) { for (j = 0; j < rcategs; j++) { if (clai[j] > 0.0) clai[j] = exp(weight[i]*log(clai[j])); else clai[j] = 0.0; if (cslai[j] > 0.0) cslai[j] = exp(weight[i]*log(cslai[j])); else cslai[j] = 0.0; if (cclai[j] > 0.0) cclai[j] = exp(weight[i]*log(cclai[j])); else cclai[j] = 0.0; } } for (j = 0; j < rcategs; j++) { nulike[j] = ((1.0 - lambda) * thelike[j] + sumc) * clai[j]; nuslope[j] = ((1.0 - lambda) * theslope[j] + sumcs) * clai[j] + ((1.0 - lambda) * thelike[j] + sumc) * cslai[j]; nucurve[j] = ((1.0 - lambda) * thecurve[j] + sumcc) * clai[j] + 2.0 * ((1.0 - lambda) * theslope[j] + sumcs) * cslai[j] + ((1.0 - lambda) * thelike[j] + sumc) * cclai[j]; } } else { for (j = 0; j < rcategs; j++) { nulike[j] = ((1.0 - lambda) * thelike[j] + sumc); nuslope[j] = ((1.0 - lambda) * theslope[j] + sumcs); nucurve[j] = ((1.0 - lambda) * thecurve[j] + sumcc); } } memcpy(thelike, nulike, rcategs*sizeof(double)); memcpy(theslope, nuslope, rcategs*sizeof(double)); memcpy(thecurve, nucurve, rcategs*sizeof(double)); } sum2 = 0.0; slope2 = 0.0; curve2 = 0.0; for (i = 0; i < rcategs; i++) { sum2 += probcat[i] * thelike[i]; slope2 += probcat[i] * theslope[i]; curve2 += probcat[i] * thecurve[i]; } sum += log(sum2); (*like) = sum; (*slope) = slope2 / sum2; (*curve) = (curve2 - slope2 * slope2 / sum2) / sum2; } /* slopecurv */ void makenewv(node *p) { /* Newton-Raphson algorithm improvement of a branch length */ long it, ite; double y, yold=0, yorig, like, slope, curve, oldlike=0; boolean done, firsttime, better; node *q; q = p->back; y = p->v; yorig = y; done = false; firsttime = true; it = 1; ite = 0; while ((it < iterations) && (ite < 20) && (!done)) { slopecurv (p, y, &like, &slope, &curve); better = false; if (firsttime) { yold = y; oldlike = like; firsttime = false; better = true; } else { if (like > oldlike) { yold = y; oldlike = like; better = true; it++; } } if (better) { y = y + slope/fabs(curve); if (yold < epsilon) yold = epsilon; } else { if (fabs(y - yold) < epsilon) ite = 20; y = (y + 19*yold) / 20.0; } ite++; done = fabs(y-yold) < epsilon; } smoothed = (fabs(yold-yorig) < epsilon) && (yorig > 1000.0*epsilon); p->v = yold; q->v = yold; curtree.likelihood = oldlike; } /* makenewv */ void update(node *p) { long num_sibs, i; node *sib_ptr; if (!p->tip && !p->initialized) nuview(p); if (!p->back->tip && !p->back->initialized) nuview(p->back); if ((!usertree) || (usertree && !lngths) || p->iter) { makenewv(p); if (!p->tip) { num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->initialized = false; } } if (!p->back->tip) { num_sibs = count_sibs (p->back); sib_ptr = p->back; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->initialized = false; } } } } /* update */ void smooth(node *p) { long i, num_sibs; node *sib_ptr; smoothed = false; update (p); if (p->tip) return; num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; if (polishing || (smoothit && !smoothed)) { smooth(sib_ptr->back); p->initialized = false; sib_ptr->initialized = false; } } } /* smooth */ void insert_(node *p, node *q, boolean dooinit) { /* Insert q near p */ long i, j, num_sibs; node *r, *sib_ptr; r = p->next->next; hookup(r, q->back); hookup(p->next, q); q->v = 0.5 * q->v; q->back->v = q->v; r->v = q->v; r->back->v = r->v; p->initialized = false; p->next->initialized = false; p->next->next->initialized = false; if (dooinit) { inittrav(p); inittrav(q); inittrav(q->back); } i = 1; while (i <= smoothings) { smooth (p); if (!smoothit) { if (!p->tip) { num_sibs = count_sibs (p); sib_ptr = p; for (j=0; j < num_sibs; j++) { smooth (sib_ptr->next->back); sib_ptr = sib_ptr->next; } } } else smooth(p->back); i++; } } /* insert_ */ void dnaml_re_move(node **p, node **q) { /* remove p and record in q where it was */ long i; /** assumes bifurcations */ *q = (*p)->next->back; hookup(*q, (*p)->next->next->back); (*p)->next->back = NULL; (*p)->next->next->back = NULL; inittrav((*q)); inittrav((*q)->back); i = 1; while (i <= smoothings) { smooth(*q); if (smoothit) smooth((*q)->back); i++; } } /* dnaml_re_move */ void buildnewtip(long m, tree *tr) { node *p; p = tr->nodep[nextsp + spp - 3]; hookup(tr->nodep[m - 1], p); p->v = initialv; p->back->v = initialv; } /* buildnewtip */ void buildsimpletree(tree *tr) { hookup(tr->nodep[enterorder[0] - 1], tr->nodep[enterorder[1] - 1]); tr->nodep[enterorder[0] - 1]->v = 0.1; tr->nodep[enterorder[0] - 1]->back->v = 0.1; tr->nodep[enterorder[1] - 1]->v = 0.1; tr->nodep[enterorder[1] - 1]->back->v = 0.1; buildnewtip(enterorder[2], tr); insert_(tr->nodep[enterorder[2] - 1]->back, tr->nodep[enterorder[0] - 1], false); } /* buildsimpletree2 */ void addtraverse(node *p, node *q, boolean contin) { /* try adding p at q, proceed recursively through tree */ long i, num_sibs; double like, vsave = 0; node *qback = NULL, *sib_ptr; if (!smoothit) { vsave = q->v; qback = q->back; } insert_(p, q, false); like = evaluate(p, false); if (like > bestyet || bestyet == UNDEFINED) { bestyet = like; if (smoothit) dnamlcopy(&curtree, &bestree, nonodes2, rcategs); else qwhere = q; succeeded = true; } if (smoothit) dnamlcopy(&priortree, &curtree, nonodes2, rcategs); else { hookup (q, qback); q->v = vsave; q->back->v = vsave; curtree.likelihood = bestyet; } if (!q->tip && contin) { num_sibs = count_sibs (q); if (q == curtree.start) num_sibs++; sib_ptr = q; for (i=0; i < num_sibs; i++) { addtraverse(p, sib_ptr->next->back, contin); sib_ptr = sib_ptr->next; } } } /* addtraverse */ void rearrange(node *p, node *pp) { /* rearranges the tree, globally or locally moving pp around near p */ long i, num_sibs; double v3 = 0, v4 = 0, v5 = 0; node *q, *r, *sib_ptr; if (!p->tip && !p->back->tip) { curtree.likelihood = bestyet; if (p->back->next != pp) r = p->back->next; else r = p->back->next->next; /* assumes bifurcations? */ if (!smoothit) { v3 = r->v; v4 = r->next->v; v5 = r->next->next->v; } else dnamlcopy(&curtree, &bestree, nonodes2, rcategs); dnaml_re_move(&r, &q); if (smoothit) dnamlcopy(&curtree, &priortree, nonodes2, rcategs); else qwhere = q; num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; addtraverse(r, sib_ptr->back, (boolean)(global && (nextsp == spp))); } if (global && nextsp == spp && !succeeded) { p = p->back; if (!p->tip) { num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; addtraverse(r, sib_ptr->back,(boolean)(global && (nextsp == spp))); } } p = p->back; } if (smoothit) dnamlcopy(&bestree, &curtree, nonodes2, rcategs); else { insert_(r, qwhere, true); if (qwhere == q) { r->v = v3; r->back->v = v3; r->next->v = v4; r->next->back->v = v4; r->next->next->v = v5; r->next->next->back->v = v5; curtree.likelihood = bestyet; } else { smoothit = true; for (i = 1; i<=smoothings; i++) { smooth (r); smooth (r->back); } smoothit = false; dnamlcopy(&curtree, &bestree, nonodes2, rcategs); } } if (global && nextsp == spp && progress) { putchar('.'); fflush(stdout); } } if (!p->tip) { num_sibs = count_sibs (p); if (p == curtree.start) num_sibs++; sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; rearrange(sib_ptr->back, p); } } } /* rearrange */ void initdnamlnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; malloc_pheno((*p), endsite, rcategs); nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); malloc_pheno(*p, endsite, rcategs); (*p)->index = nodei; break; case tip: match_names_to_data (str, nodep, p, spp); break; case iter: (*p)->initialized = false; (*p)->v = initialv; (*p)->iter = true; if ((*p)->back != NULL) (*p)->back->iter = true; break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); (*p)->v = valyew / divisor / fracchange; (*p)->iter = false; if ((*p)->back != NULL) { (*p)->back->v = (*p)->v; (*p)->back->iter = false; } break; case hsnolength: haslengths = false; break; default: /* cases hslength, treewt, unittrwt */ break; /* should never occur */ } } /* initdnamlnode */ void dnaml_coordinates(node *p, double lengthsum, long *tipy, double *tipmax) { /* establishes coordinates of nodes */ node *q, *first, *last; double xx; if (p->tip) { p->xcoord = (long)(over * lengthsum + 0.5); p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; return; } q = p->next; do { xx = fracchange * q->v; if (xx > 100.0) xx = 100.0; dnaml_coordinates(q->back, lengthsum + xx, tipy,tipmax); q = q->next; } while ((p == curtree.start || p != q) && (p != curtree.start || p->next != q)); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (long)(over * lengthsum + 0.5); if (p == curtree.start) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* dnaml_coordinates */ void dnaml_printree() { /* prints out diagram of the tree2 */ long tipy; double scale, tipmax; long i; if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; dnaml_coordinates(curtree.start, 0.0, &tipy, &tipmax); scale = 1.0 / (long)(tipmax + 1.000); for (i = 1; i <= (tipy - down); i++) drawline2(i, scale, curtree); putc('\n', outfile); } /* dnaml_printree */ void sigma(node *p, double *sumlr, double *s1, double *s2) { /* compute standard deviation */ double tt, aa, like, slope, curv; slopecurv (p, p->v, &like, &slope, &curv); tt = p->v; p->v = epsilon; p->back->v = epsilon; aa = evaluate(p, false); p->v = tt; p->back->v = tt; (*sumlr) = evaluate(p, false) - aa; if (curv < -epsilon) { (*s1) = p->v + (-slope - sqrt(slope * slope - 3.841 * curv)) / curv; (*s2) = p->v + (-slope + sqrt(slope * slope - 3.841 * curv)) / curv; } else { (*s1) = -1.0; (*s2) = -1.0; } } /* sigma */ void describe(node *p) { /* print out information for one branch */ long i, num_sibs; node *q, *sib_ptr; double sumlr, sigma1, sigma2; if (!p->tip && !p->initialized) nuview(p); if (!p->back->tip && !p->back->initialized) nuview(p->back); q = p->back; if (q->tip) { fprintf(outfile, " "); for (i = 0; i < nmlngth; i++) putc(nayme[q->index-1][i], outfile); fprintf(outfile, " "); } else fprintf(outfile, " %4ld ", q->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index-1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, "%15.5f", q->v * fracchange); if (!usertree || (usertree && !lngths) || p->iter) { sigma(q, &sumlr, &sigma1, &sigma2); if (sigma1 <= sigma2) fprintf(outfile, " ( zero, infinity)"); else { fprintf(outfile, " ("); if (sigma2 <= 0.0) fprintf(outfile, " zero"); else fprintf(outfile, "%9.5f", sigma2 * fracchange); fprintf(outfile, ",%12.5f", sigma1 * fracchange); putc(')', outfile); } if (sumlr > 1.9205) fprintf(outfile, " *"); if (sumlr > 2.995) putc('*', outfile); } putc('\n', outfile); if (!p->tip) { num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; describe(sib_ptr->back); } } } /* describe */ void reconstr(node *p, long n) { /* reconstruct and print out base at site n+1 at node p */ long i, j, k, m, first, second, num_sibs; double f, sum, xx[4]; node *q; if ((ally[n] == 0) || (location[ally[n]-1] == 0)) putc('.', outfile); else { j = location[ally[n]-1] - 1; for (i = 0; i < 4; i++) { f = p->x[j][mx-1][i]; num_sibs = count_sibs(p); q = p; for (k = 0; k < num_sibs; k++) { q = q->next; f *= q->x[j][mx-1][i]; } f = sqrt(f); xx[i] = f; } xx[0] *= freqa; xx[1] *= freqc; xx[2] *= freqg; xx[3] *= freqt; sum = xx[0]+xx[1]+xx[2]+xx[3]; for (i = 0; i < 4; i++) xx[i] /= sum; first = 0; for (i = 1; i < 4; i++) if (xx [i] > xx[first]) first = i; if (first == 0) second = 1; else second = 0; for (i = 0; i < 4; i++) if ((i != first) && (xx[i] > xx[second])) second = i; m = 1 << first; if (xx[first] < 0.4999995) m = m + (1 << second); if (xx[first] > 0.95) putc(toupper(basechar[m - 1]), outfile); else putc(basechar[m - 1], outfile); if (rctgry && rcategs > 1) mx = mp[n][mx - 1]; else mx = 1; } } /* reconstr */ void rectrav(node *p, long m, long n) { /* print out segment of reconstructed sequence for one branch */ long i; putc(' ', outfile); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index-1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, " "); mx = mx0; for (i = m; i <= n; i++) { if ((i % 10 == 0) && (i != m)) putc(' ', outfile); if (p->tip) putc(y[p->index-1][i], outfile); else reconstr(p, i); } putc('\n', outfile); if (!p->tip) { rectrav(p->next->back, m, n); rectrav(p->next->next->back, m, n); } mx1 = mx; } /* rectrav */ void summarize() { /* print out branch length information and node numbers */ long i, j, mm, num_sibs; double mode, sum; double like[maxcategs], nulike[maxcategs]; double **marginal; node *sib_ptr; if (!treeprint) return; fprintf(outfile, "\nremember: "); if (outgropt) fprintf(outfile, "(although rooted by outgroup) "); fprintf(outfile, "this is an unrooted tree!\n\n"); fprintf(outfile, "Ln Likelihood = %11.5f\n", curtree.likelihood); fprintf(outfile, "\n Between And Length"); if (!(usertree && lngths && haslengths)) fprintf(outfile, " Approx. Confidence Limits"); fprintf(outfile, "\n"); fprintf(outfile, " ------- --- ------"); if (!(usertree && lngths && haslengths)) fprintf(outfile, " ------- ---------- ------"); fprintf(outfile, "\n\n"); for (i = spp; i < nonodes2; i++) { /* So this works with arbitrary multifurcations */ if (curtree.nodep[i]) { num_sibs = count_sibs (curtree.nodep[i]); sib_ptr = curtree.nodep[i]; for (j = 0; j < num_sibs; j++) { sib_ptr->initialized = false; sib_ptr = sib_ptr->next; } } } describe(curtree.start->back); /* So this works with arbitrary multifurcations */ num_sibs = count_sibs (curtree.start); sib_ptr = curtree.start; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; describe(sib_ptr->back); } fprintf(outfile, "\n"); if (!(usertree && lngths && haslengths)) { fprintf(outfile, " * = significantly positive, P < 0.05\n"); fprintf(outfile, " ** = significantly positive, P < 0.01\n\n"); } dummy = evaluate(curtree.start, false); if (rctgry && rcategs > 1) { for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j]; mp[i][j] = j + 1; for (k = 1; k <= rcategs; k++) { if (k != j + 1) { if (lambda * probcat[k - 1] * like[k - 1] > nulike[j]) { nulike[j] = lambda * probcat[k - 1] * like[k - 1]; mp[i][j] = k; } } } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); } mode = 0.0; mx = 1; for (i = 1; i <= rcategs; i++) { if (probcat[i - 1] * like[i - 1] > mode) { mx = i; mode = probcat[i - 1] * like[i - 1]; } } mx0 = mx; fprintf(outfile, "Combination of categories that contributes the most to the likelihood:\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 1; i <= sites; i++) { fprintf(outfile, "%ld", mx); if (i % 10 == 0) putc(' ', outfile); if (i % 60 == 0 && i != sites) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } mx = mp[i - 1][mx - 1]; } fprintf(outfile, "\n\n"); marginal = (double **) Malloc( sites*sizeof(double *)); for (i = 0; i < sites; i++) marginal[i] = (double *) Malloc( rcategs*sizeof(double)); for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) { nulike[j] /= sum; marginal[i][j] = nulike[j]; } memcpy(like, nulike, rcategs * sizeof(double)); } for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } marginal[i][j] *= like[j] * probcat[j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); sum = 0.0; for (j = 0; j < rcategs; j++) sum += marginal[i][j]; for (j = 0; j < rcategs; j++) marginal[i][j] /= sum; } fprintf(outfile, "Most probable category at each site if > 0.95 probability (\".\" otherwise)\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) if (marginal[i][j] > sum) { sum = marginal[i][j]; mm = j; } if (sum >= 0.95) fprintf(outfile, "%ld", mm+1); else putc('.', outfile); if ((i+1) % 60 == 0) { if (i != 0) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } } else if ((i+1) % 10 == 0) putc(' ', outfile); } putc('\n', outfile); for (i = 0; i < sites; i++) free(marginal[i]); free(marginal); } putc('\n', outfile); if (hypstate) { fprintf(outfile, "Probable sequences at interior nodes:\n\n"); fprintf(outfile, " node "); for (i = 0; (i < 13) && (i < ((sites + (sites-1)/10 - 39) / 2)); i++) putc(' ', outfile); fprintf(outfile, "Reconstructed sequence (caps if > 0.95)\n\n"); if (!rctgry || (rcategs == 1)) mx0 = 1; for (i = 0; i < sites; i += 60) { k = i + 59; if (k >= sites) k = sites - 1; rectrav(curtree.start, i, k); rectrav(curtree.start->back, i, k); putc('\n', outfile); mx0 = mx1; } } } /* summarize */ void dnaml_treeout(node *p) { /* write out file with representation of final tree2 */ /* Only works for bifurcations! */ long i, n, w; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index-1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index-1][i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { putc('(', outtree); col++; dnaml_treeout(p->next->back); putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } dnaml_treeout(p->next->next->back); if (p == curtree.start) { putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } dnaml_treeout(p->back); } putc(')', outtree); col++; } x = p->v * fracchange; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p == curtree.start) fprintf(outtree, ";\n"); else { fprintf(outtree, ":%*.5f", (int)(w + 7), x); col += w + 8; } } /* dnaml_treeout */ void inittravtree(node *p) { /* traverse tree to set initialized and v to initial values */ p->initialized = false; p->back->initialized = false; if (!p->tip) { inittravtree(p->next->back); inittravtree(p->next->next->back); } } /* inittravtree */ void treevaluate() { /* evaluate a user tree */ long i; inittravtree(curtree.start); polishing = true; smoothit = true; for (i = 1; i <= smoothings * 4; i++) smooth (curtree.start); dummy = evaluate(curtree.start, true); } /* treevaluate */ void maketree() { long i, j; boolean dummy_first, goteof; pointarray dummy_treenode=NULL; long nextnode; node *root, *q, *r; inittable(); if (usertree) { openfile(&intree,INTREE,"input tree file", "r",progname,intreename); inittable_for_usertree (intree); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); l0gl = (double *) Malloc(numtrees * sizeof(double)); l0gf = (double **) Malloc(numtrees * sizeof(double *)); for (i=0; i < numtrees; ++i) l0gf[i] = (double *) Malloc(endsite * sizeof(double)); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } which = 1; /* This taken out of tree read, used to be [spp-1], but referring to [0] produces output identical to what the pre-modified dnaml produced. */ while (which <= numtrees) { /* These initializations required each time through the loop since multiple trees require re-initialization */ haslengths = true; nextnode = 0; dummy_first = true; goteof = false; treeread(intree, &root, dummy_treenode, &goteof, &dummy_first, curtree.nodep, &nextnode, &haslengths, &grbg, initdnamlnode); q = root; r = root; while (!(q->next == root)) q = q->next; q->next = root->next; root = q; chuck(&grbg, r); curtree.nodep[spp] = q; if (goteof && (which <= numtrees)) { /* if we hit the end of the file prematurely */ printf ("\n"); printf ("ERROR: trees missing at end of file.\n"); printf ("\tExpected number of trees:\t\t%ld\n", numtrees); printf ("\tNumber of trees actually in file:\t%ld.\n\n", which - 1); exxit(-1); } curtree.start = curtree.nodep[0]->back; treevaluate(); if (reconsider) { bestyet = UNDEFINED; succeeded = true; while (succeeded) { succeeded = false; rearrange(curtree.start, curtree.start->back); } treevaluate(); } dnaml_printree(); summarize(); if (trout) { col = 0; dnaml_treeout(curtree.start); } which++; } FClose(intree); putc('\n', outfile); if (!auto_ && numtrees > 1 && weightsum > 1 ) standev2(numtrees, maxwhich, 0, endsite-1, maxlogl, l0gl, l0gf, aliasweight, seed); } else { /* If there's no input user tree, */ for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); if (progress) { printf("\nAdding species:\n"); writename(0, 3, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } nextsp = 3; polishing = false; buildsimpletree(&curtree); curtree.start = curtree.nodep[enterorder[0] - 1]->back; smoothit = improve; nextsp = 4; while (nextsp <= spp) { buildnewtip(enterorder[nextsp - 1], &curtree); bestyet = UNDEFINED; if (smoothit) dnamlcopy(&curtree, &priortree, nonodes2, rcategs); addtraverse(curtree.nodep[enterorder[nextsp - 1] - 1]->back, curtree.start, true); if (smoothit) dnamlcopy(&bestree, &curtree, nonodes2, rcategs); else { insert_(curtree.nodep[enterorder[nextsp - 1] - 1]->back, qwhere, true); smoothit = true; for (i = 1; i<=smoothings; i++) { smooth (curtree.start); smooth (curtree.start->back); } smoothit = false; dnamlcopy(&curtree, &bestree, nonodes2, rcategs); bestyet = curtree.likelihood; } if (progress) { writename(nextsp - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } if (global && nextsp == spp && progress) { printf("Doing global rearrangements\n"); printf(" !"); for (j = 1; j <= (spp - 3); j++) putchar('-'); printf("!\n"); } succeeded = true; while (succeeded) { succeeded = false; if (global && nextsp == spp && progress) { printf(" "); fflush(stdout); } rearrange(curtree.start, curtree.start->back); if (global && nextsp == spp && progress) putchar('\n'); } for (i = spp; i < nextsp + spp - 2; i++) { curtree.nodep[i]->initialized = false; curtree.nodep[i]->next->initialized = false; curtree.nodep[i]->next->next->initialized = false; } if (!smoothit) { smoothit = true; for (i = 1; i<=smoothings; i++) { smooth (curtree.start); smooth (curtree.start->back); } smoothit = false; dnamlcopy(&curtree, &bestree, nonodes2, rcategs); bestyet = curtree.likelihood; } nextsp++; } if (global && progress) { putchar('\n'); fflush(stdout); } if (njumble > 1) { if (jumb == 1) dnamlcopy(&bestree, &bestree2, nonodes2, rcategs); else if (bestree2.likelihood < bestree.likelihood) dnamlcopy(&bestree, &bestree2, nonodes2, rcategs); } if (jumb == njumble) { if (njumble > 1) dnamlcopy(&bestree2, &curtree, nonodes2, rcategs); curtree.start = curtree.nodep[outgrno - 1]->back; for (i = 0; i < nonodes2; i++) { if (i < spp) curtree.nodep[i]->initialized = false; else { curtree.nodep[i]->initialized = false; curtree.nodep[i]->next->initialized = false; curtree.nodep[i]->next->next->initialized = false; } } treevaluate(); dnaml_printree(); summarize(); if (trout) { col = 0; dnaml_treeout(curtree.start); } } } if (usertree) { free(l0gl); for (i=0; i < numtrees; i++) free(l0gf[i]); free(l0gf); } for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) free(tbl[i][j]); for (i = 0; i < rcategs; i++) free(tbl[i]); free(tbl); if (jumb < njumble) return; free(contribution); free(mp); for (i=0; i < endsite; i++) free(term[i]); free(term); for (i=0; i < endsite; i++) free(slopeterm[i]); free(slopeterm); for (i=0; i < endsite; i++) free(curveterm[i]); free(curveterm); free_all_x_in_array (nonodes2, curtree.nodep); if (!usertree || reconsider) { free_all_x_in_array (nonodes2, bestree.nodep); free_all_x_in_array (nonodes2, priortree.nodep); if (njumble > 1) free_all_x_in_array (nonodes2, bestree2.nodep); } if (progress) { printf("\n\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Tree also written onto file \"%s\"\n", outtreename); putchar('\n'); } } /* maketree */ void clean_up() { /* Free and/or close stuff */ long i; free (rrate); free (probcat); free (rate); /* Seems to require freeing every time... */ for (i = 0; i < spp; i++) { free (y[i]); } free (y); free (nayme); free (enterorder); free (category); free (weight); free (alias); free (ally); free (location); free (aliasweight); #if 0 /* ???? debug ???? */ freetree2(curtree.nodep, nonodes2); if (! (usertree && !reconsider)) { freetree2(bestree.nodep, nonodes2); freetree2(priortree.nodep, nonodes2); } if (! (njumble <= 1)) freetree2(bestree2.nodep, nonodes2); #endif FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif } /* clean_up */ int main(int argc, Char *argv[]) { /* DNA Maximum Likelihood */ #ifdef MAC argc = 1; /* macsetup("DnaML",""); */ argv[0] = "DnaML"; #endif init(argc,argv); progname = argv[0]; openfile(&infile,INFILE,"input file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); mulsets = false; datasets = 1; firstset = true; ibmpc = IBMCRT; ansi = ANSICRT; grbg = NULL; doinit(); ttratio0 = ttratio; if (ctgry) openfile(&catfile,CATFILE,"categories file","r",argv[0],catfilename); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file","w",argv[0],outtreename); for (ith = 1; ith <= datasets; ith++) { if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n", ith); printf("\nData set # %ld:\n", ith); } ttratio = ttratio0; getinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); } clean_up(); printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* DNA Maximum Likelihood */ ./arbsrc_9167/GDE/PHYLIP/dnamlk.c0000644012664100000130000020532311213220011016141 0ustar arb_buildcoders#include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1986-2002 by the University of Washington and by Joseph Felsenstein. Written by Joseph Felsenstein. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define epsilon 0.0001 /* used in makenewv, getthree, update */ #define over 60 typedef struct valrec { double rat, ratxi, ratxv, orig_zz, z1, y1, z1zz, z1yy, xiz1, xiy1xv; double *ww, *zz, *wwzz, *vvzz; } valrec; typedef double contribarr[maxcategs]; extern sequence y; valrec ***tbl; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void makeweights(void); void getinput(void); void inittable_for_usertree (FILE *); void inittable(void); void exmake(double, long); void alloc_nvd(long, nuview_data *); void free_nvd(nuview_data *); void nuview(node *); double evaluate(node *); void getthree(node *p, double thigh, double tlow); void makenewv(node *); void update(node *); void smooth(node *); void restoradd(node *, node *, node *, double); void dnamlk_add(node *, node *, node *); void dnamlk_re_move(node **, node **, boolean); void tryadd(node *, node **, node **); void addpreorder(node *, node *, node *, boolean, boolean); void tryrearr(node *, boolean *); void repreorder(node *, boolean *); void rearrange(node **); void initdnamlnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void tymetrav(node *, double *); void dnamlk_coordinates(node *, long *); void dnamlk_drawline(long, double); void dnamlk_printree(void); void describe(node *); void reconstr(node *, long); void rectrav(node *, long, long); void summarize(void); void dnamlk_treeout(node *); void nodeinit(node *); void initrav(node *); void travinit(node *); void travsp(node *); void treevaluate(void); void maketree(void); void reallocsites(void); void save_tree_tyme(tree* save_tree, double tymes[]); void restore_saved_tyme(tree *load_tree, double tymes[]); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], catfilename[FNMLNGTH], weightfilename[FNMLNGTH]; double *rrate; long sites, weightsum, categs, datasets, ith, njumble, jumb, numtrees; /* sites = number of sites in actual sequences numtrees = number of user-defined trees */ long inseed, inseed0, mx, mx0, mx1; boolean freqsfrom, global, global2=0, jumble, lngths, trout, usertree, weights, rctgry, ctgry, ttr, auto_, progress, mulsets, firstset, hypstate, reconsider, smoothit, polishing, justwts, gama, invar; tree curtree, bestree, bestree2, priortree; node *qwhere, *grbg; double *tymes; double xi, xv, ttratio, ttratio0, freqa, freqc, freqg, freqt, freqr, freqy, freqar, freqcy, freqgr, freqty, fracchange, sumrates, cv, alpha, lambda, lambda1, invarfrac; long *enterorder; steptr aliasweight; double *rate; double **term, **slopeterm, **curveterm; longer seed; double *probcat; contribarr *contribution; char *progname; long rcategs, nonodes2; long **mp; char basechar[16]="acmgrsvtwyhkdbn"; /* Local variables for maketree, propagated globally for C version: */ long k, maxwhich, col; double like, bestyet, tdelta, lnlike, slope, curv, maxlogl; boolean lastsp, smoothed, succeeded; double *l0gl; double x[3], lnl[3]; double expon1i[maxcategs], expon1v[maxcategs], expon2i[maxcategs], expon2v[maxcategs]; node *there; double **l0gf; Char ch, ch2; void save_tree_tyme(tree* save_tree, double tymes[]) { int i; for ( i = spp ; i < nonodes ; i++) { tymes[i - spp] = save_tree->nodep[i]->tyme; } } void restore_saved_tyme(tree *load_tree, double tymes[]) { int i; for ( i = spp ; i < nonodes ; i++) { load_tree->nodep[i]->tyme = tymes[i - spp]; } } void getoptions() { /* interactively set options */ long i, loopcount, loopcount2; Char ch; boolean done; boolean didchangecat, didchangercat; double probsum; fprintf(outfile, "\nNucleic acid sequence\n"); fprintf(outfile, " Maximum Likelihood method with molecular "); fprintf(outfile, "clock, version %s\n\n", VERSION); putchar('\n'); auto_ = false; ctgry = false; didchangecat = false; rctgry = false; didchangercat = false; categs = 1; rcategs = 1; freqsfrom = true; gama = false; invar = false; global = false; hypstate = false; jumble = false; njumble = 1; lambda = 1.0; lambda1 = 0.0; lngths = false; trout = true; ttratio = 2.0; ttr = false; usertree = false; weights = false; printdata = false; progress = true; treeprint = true; interleaved = true; loopcount = 0; do { cleerhome(); printf("\nNucleic acid sequence\n"); printf(" Maximum Likelihood method with molecular clock, version %s\n\n", VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree?"); if (usertree) printf(" No, use user trees in input file\n"); else printf(" Yes\n"); if (usertree) { printf(" L Use lengths from user tree?"); if (lngths) printf(" Yes\n"); else printf(" No\n"); } printf(" T Transition/transversion ratio:"); if (!ttr) printf(" 2.0\n"); else printf(" %8.4f\n", ttratio); printf(" F Use empirical base frequencies?"); if (freqsfrom) printf(" Yes\n"); else printf(" No\n"); printf(" C One category of substitution rates?"); if (!ctgry) printf(" Yes\n"); else printf(" %ld categories\n", categs); printf(" R Rate variation among sites?"); if (!rctgry) printf(" constant rate\n"); else { if (gama) printf(" Gamma distributed rates\n"); else { if (invar) printf(" Gamma+Invariant sites\n"); else printf(" user-defined HMM of rates\n"); } printf(" A Rates at adjacent sites correlated?"); if (!auto_) printf(" No, they are independent\n"); else printf(" Yes, mean block length =%6.1f\n", 1.0 / lambda); } if (!usertree) { printf(" G Global rearrangements?"); if (global) printf(" Yes\n"); else printf(" No\n"); } printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); if (!usertree) { printf(" J Randomize input order of sequences?"); if (jumble) printf(" Yes (seed = %8ld, %3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", datasets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved?"); if (interleaved) printf(" Yes\n"); else printf(" No, sequential\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)?"); if (ibmpc) printf(" IBM PC\n"); if (ansi) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" 1 Print out the data at start of run"); if (printdata) printf(" Yes\n"); else printf(" No\n"); printf(" 2 Print indications of progress of run"); if (progress) printf(" Yes\n"); else printf(" No\n"); printf(" 3 Print out tree"); if (treeprint) printf(" Yes\n"); else printf(" No\n"); printf(" 4 Write out trees onto tree file?"); if (trout) printf(" Yes\n"); else printf(" No\n"); printf(" 5 Reconstruct hypothetical sequences? %s\n", (hypstate ? "Yes" : "No")); printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); done = (ch == 'Y'); if (!done) { uppercase(&ch); if (strchr("JUCRAFWGLTMI012345", ch) != NULL){ switch (ch) { case 'C': ctgry = !ctgry; if (ctgry) { printf("\nSitewise user-assigned categories:\n\n"); initcatn(&categs); if (rate){ free(rate); } rate = (double *) Malloc( categs * sizeof(double)); didchangecat = true; initcategs(categs, rate); } break; case 'R': if (!rctgry) { rctgry = true; gama = true; } else { if (gama) { gama = false; invar = true; } else { if (invar) invar = false; else rctgry = false; } } break; case 'A': auto_ = !auto_; if (auto_) { initlambda(&lambda); lambda1 = 1.0 - lambda; } break; case 'F': freqsfrom = !freqsfrom; if (!freqsfrom) initfreqs(&freqa, &freqc, &freqg, &freqt); break; case 'G': global = !global; break; case 'W': weights = !weights; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lngths = !lngths; break; case 'T': ttr = !ttr; if (ttr) initratio(&ttratio); break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&datasets); else initdatasets(&datasets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; case '5': hypstate = !hypstate; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); if (gama || invar) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among sites (must be positive)\n"); printf( " In gamma distribution parameters, this is 1/(square root of alpha)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &cv); getchar(); countup(&loopcount, 10); } while (cv <= 0.0); alpha = 1.0 / (cv * cv); } if (!rctgry) auto_ = false; if (rctgry) { printf("\nRates in HMM"); if (invar) printf(" (including one for invariant sites)"); printf(":\n"); initcatn(&rcategs); if (probcat){ free(probcat); free(rrate); } probcat = (double *) Malloc(rcategs * sizeof(double)); rrate = (double *) Malloc(rcategs * sizeof(double)); didchangercat = true; if (gama) initgammacat(rcategs, alpha, rrate, probcat); else { if (invar) { loopcount = 0; do { printf("Fraction of invariant sites?\n"); scanf("%lf%*[^\n]", &invarfrac); getchar(); countup(&loopcount, 10); } while ((invarfrac <= 0.0) || (invarfrac >= 1.0)); initgammacat(rcategs-1, alpha, rrate, probcat); for (i = 0; i < rcategs-1; i++) probcat[i] = probcat[i]*(1.0-invarfrac); probcat[rcategs-1] = invarfrac; rrate[rcategs-1] = 0.0; } else { initcategs(rcategs, rrate); initprobcat(rcategs, &probsum, probcat); } } } if (!didchangercat){ rrate = Malloc( rcategs*sizeof(double)); probcat = Malloc( rcategs*sizeof(double)); rrate[0] = 1.0; probcat[0] = 1.0; } if (!didchangecat){ rate = Malloc( categs*sizeof(double)); rate[0] = 1.0; } } /* getoptions */ void reallocsites(void) { long i; for (i = 0; i < spp; i++) { free(y[i]); y[i] = (char *)Malloc(sites * sizeof(char)); } free(weight); free(category); free(alias); free(aliasweight); free(ally); free(location); weight = (long *)Malloc(sites*sizeof(long)); category = (long *)Malloc(sites*sizeof(long)); alias = (long *)Malloc(sites*sizeof(long)); aliasweight = (long *)Malloc(sites*sizeof(long)); ally = (long *)Malloc(sites*sizeof(long)); location = (long *)Malloc(sites*sizeof(long)); } void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); nayme = (naym *)Malloc(spp*sizeof(naym)); for (i = 0; i < spp; i++) y[i] = (char *)Malloc(sites * sizeof(char)); enterorder = (long *)Malloc(spp*sizeof(long)); weight = (long *)Malloc(sites*sizeof(long)); category = (long *)Malloc(sites*sizeof(long)); alias = (long *)Malloc(sites*sizeof(long)); aliasweight = (long *)Malloc(sites*sizeof(long)); ally = (long *)Malloc(sites*sizeof(long)); location = (long *)Malloc(sites*sizeof(long)); tymes = (double *)Malloc((nonodes - spp) * sizeof(double)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &sites, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites); alloctree(&curtree.nodep, nonodes, usertree); allocrest(); if (usertree) return; alloctree(&bestree.nodep, nonodes, 0); if (njumble <= 1) return; alloctree(&bestree2.nodep, nonodes, 0); } /* doinit */ void inputoptions() { long i; if (!firstset && !justwts) { samenumsp(&sites, ith); reallocsites(); } for (i = 0; i < sites; i++) category[i] = 1; for (i = 0; i < sites; i++) weight[i] = 1; if (justwts || weights) inputweights(sites, weight, &weights); weightsum = 0; for (i = 0; i < sites; i++) weightsum += weight[i]; if (ctgry && categs > 1) { inputcategs(0, sites, category, categs, "DnaMLK"); if (printdata) printcategs(outfile, sites, category, "Site categories"); } if (weights && printdata) printweights(outfile, 0, sites, weight, "Sites"); } /* inputoptions */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i - 1] = i; ally[i - 1] = 0; aliasweight[i - 1] = weight[i - 1]; location[i - 1] = 0; } sitesort2(sites, aliasweight); sitecombine2(sites, aliasweight); sitescrunch2(sites, 1, 2, aliasweight); for (i = 1; i <= sites; i++) { if (aliasweight[i - 1] > 0) endsite = i; } for (i = 1; i <= endsite; i++) { ally[alias[i - 1] - 1] = alias[i - 1]; location[alias[i - 1] - 1] = i; } contribution = (contribarr *) Malloc( endsite*sizeof(contribarr)); } /* makeweights */ void getinput() { /* reads the input data */ inputoptions(); if (!freqsfrom) getbasefreqs(freqa, freqc, freqg, freqt, &freqr, &freqy, &freqar, &freqcy, &freqgr, &freqty, &ttratio, &xi, &xv, &fracchange, freqsfrom, true); if (!justwts || firstset) inputdata(sites); makeweights(); setuptree2(curtree); if (!usertree) { setuptree2(bestree); if (njumble > 1) setuptree2(bestree2); } allocx(nonodes, rcategs, curtree.nodep, usertree); if (!usertree) { allocx(nonodes, rcategs, bestree.nodep, 0); if (njumble > 1) allocx(nonodes, rcategs, bestree2.nodep, 0); } makevalues2(rcategs, curtree.nodep, endsite, spp, y, alias); if (freqsfrom) { empiricalfreqs(&freqa, &freqc, &freqg, &freqt, aliasweight, curtree.nodep); getbasefreqs(freqa, freqc, freqg, freqt, &freqr, &freqy, &freqar, &freqcy, &freqgr, &freqty, &ttratio, &xi, &xv, &fracchange, freqsfrom, true); } if (!justwts || firstset) fprintf(outfile, "\nTransition/transversion ratio = %10.6f\n\n", ttratio); } /* getinput */ void inittable_for_usertree (FILE *intree) { /* If there's a user tree, then the ww/zz/wwzz/vvzz elements need to be allocated appropriately. */ long num_comma; long i, j; /* First, figure out the largest possible furcation, i.e. the number of commas plus one */ countcomma (&intree, &num_comma); num_comma++; for (i = 0; i < rcategs; i++) { for (j = 0; j < categs; j++) { /* Free the stuff allocated assuming bifurcations */ free (tbl[i][j]->ww); free (tbl[i][j]->zz); free (tbl[i][j]->wwzz); free (tbl[i][j]->vvzz); /* Then allocate for worst-case multifurcations */ tbl[i][j]->ww = (double *) Malloc( num_comma * sizeof (double)); tbl[i][j]->zz = (double *) Malloc( num_comma * sizeof (double)); tbl[i][j]->wwzz = (double *) Malloc( num_comma * sizeof (double)); tbl[i][j]->vvzz = (double *) Malloc( num_comma * sizeof (double)); } } } /* inittable_for_usertree */ void inittable() { /* Define a lookup table. Precompute values and print them out in tables */ long i, j; double sumrates; tbl = (valrec ***) Malloc( rcategs * sizeof(valrec **)); for (i = 0; i < rcategs; i++) { tbl[i] = (valrec **) Malloc( categs*sizeof(valrec *)); for (j = 0; j < categs; j++) tbl[i][j] = (valrec *) Malloc( sizeof(valrec)); } for (i = 0; i < rcategs; i++) { for (j = 0; j < categs; j++) { tbl[i][j]->rat = rrate[i]*rate[j]; tbl[i][j]->ratxi = tbl[i][j]->rat * xi; tbl[i][j]->ratxv = tbl[i][j]->rat * xv; /* Allocate assuming bifurcations, will be changed later if neccesarry (i.e. there's a user tree) */ tbl[i][j]->ww = (double *) Malloc( 2 * sizeof (double)); tbl[i][j]->zz = (double *) Malloc( 2 * sizeof (double)); tbl[i][j]->wwzz = (double *) Malloc( 2 * sizeof (double)); tbl[i][j]->vvzz = (double *) Malloc( 2 * sizeof (double)); } } sumrates = 0.0; for (i = 0; i < endsite; i++) { for (j = 0; j < rcategs; j++) sumrates += aliasweight[i] * probcat[j] * tbl[j][category[alias[i] - 1] - 1]->rat; } sumrates /= (double)sites; for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->rat /= sumrates; tbl[i][j]->ratxi /= sumrates; tbl[i][j]->ratxv /= sumrates; } if (gama || invar) { fprintf(outfile, "\nDiscrete approximation to gamma distributed rates\n"); fprintf(outfile, " Coefficient of variation of rates = %f (alpha = %f)\n", cv, alpha); } if (rcategs > 1) { fprintf(outfile, "\nState in HMM Rate of change Probability\n\n"); for (i = 0; i < rcategs; i++) if (probcat[i] < 0.0001) fprintf(outfile, "%9ld%16.3f%20.6f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.001) fprintf(outfile, "%9ld%16.3f%19.5f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.01) fprintf(outfile, "%9ld%16.3f%18.4f\n", i+1, rrate[i], probcat[i]); else fprintf(outfile, "%9ld%16.3f%17.3f\n", i+1, rrate[i], probcat[i]); putc('\n', outfile); if (auto_) { fprintf(outfile, "Expected length of a patch of sites having the same rate = %8.3f\n", 1/lambda); putc('\n', outfile); } } if (categs > 1) { fprintf(outfile, "\nSite category Rate of change\n\n"); for (i = 0; i < categs; i++) fprintf(outfile, "%9ld%16.3f\n", i+1, rate[i]); fprintf(outfile, "\n\n"); } } /* inittable */ void exmake(double lz, long n) { /* pretabulate tables of exponentials so need not do for each site */ long i; double rat; for (i = 0; i < categs; i++) { rat = rate[i]; switch (n) { case 1: expon1i[i] = exp(rat * xi * lz); expon1v[i] = exp(rat * xv * lz); break; case 2: expon2i[i] = exp(rat * xi * lz); expon2v[i] = exp(rat * xv * lz); break; } } } /* exmake */ void alloc_nvd(long num_sibs, nuview_data *local_nvd) { /* Allocate blocks of memory appropriate for the number of siblings a given node has */ local_nvd->yy = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->wwzz = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->vvzz = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->vzsumr = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->vzsumy = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->sum = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->sumr = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->sumy = (double *) Malloc( num_sibs * sizeof (double)); local_nvd->xx = (sitelike *) Malloc( num_sibs * sizeof (sitelike)); } /* alloc_nvd */ void free_nvd(nuview_data *local_nvd) { /* The natural complement to the alloc version */ free (local_nvd->yy); free (local_nvd->wwzz); free (local_nvd->vvzz); free (local_nvd->vzsumr); free (local_nvd->vzsumy); free (local_nvd->sum); free (local_nvd->sumr); free (local_nvd->sumy); free (local_nvd->xx); } /* free_nvd */ void nuview(node *p) /* current (modified dnaml) nuview */ { long i, j, k, num_sibs, sib_index; nuview_data *local_nvd; node *sib_ptr, *sib_back_ptr; sitelike p_xx; double lw; /* Figure out how many siblings the current node has */ num_sibs = count_sibs (p); /* Recursive calls, should be called for all children */ sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (!(sib_back_ptr == NULL)) if (!sib_back_ptr->tip && !sib_back_ptr->initialized) nuview (sib_back_ptr); } /* Allocate the structure and blocks therein for variables used in this function */ local_nvd = (nuview_data *) Malloc( sizeof (nuview_data)); alloc_nvd (num_sibs, local_nvd); /* Loop 1: makes assignments to tbl based on some combination of what's already in tbl and the children's value of v */ sib_ptr = p; for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr != NULL) lw = -fabs(p->tyme - sib_back_ptr->tyme); else lw = 0.0; for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->ww[sib_index] = exp(tbl[i][j]->ratxi * lw); tbl[i][j]->zz[sib_index] = exp(tbl[i][j]->ratxv * lw); tbl[i][j]->wwzz[sib_index] = tbl[i][j]->ww[sib_index] * tbl[i][j]->zz[sib_index]; tbl[i][j]->vvzz[sib_index] = (1.0 - tbl[i][j]->ww[sib_index]) * tbl[i][j]->zz[sib_index]; } } /* Loop 2: */ for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { /* Loop 2.1 */ sib_ptr = p; for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; local_nvd->wwzz[sib_index] = tbl[j][k]->wwzz[sib_index]; local_nvd->vvzz[sib_index] = tbl[j][k]->vvzz[sib_index]; local_nvd->yy[sib_index] = 1.0 - tbl[j][k]->zz[sib_index]; if (sib_back_ptr != NULL) memcpy(local_nvd->xx[sib_index], sib_back_ptr->x[i][j], sizeof(sitelike)); else { local_nvd->xx[sib_index][0] = 1.0; local_nvd->xx[sib_index][(long)C - (long)A] = 1.0; local_nvd->xx[sib_index][(long)G - (long)A] = 1.0; local_nvd->xx[sib_index][(long)T - (long)A] = 1.0; } } /* Loop 2.2 */ for (sib_index=0; sib_index < num_sibs; sib_index++) { local_nvd->sum[sib_index] = local_nvd->yy[sib_index] * (freqa * local_nvd->xx[sib_index][(long)A] + freqc * local_nvd->xx[sib_index][(long)C] + freqg * local_nvd->xx[sib_index][(long)G] + freqt * local_nvd->xx[sib_index][(long)T]); local_nvd->sumr[sib_index] = freqar * local_nvd->xx[sib_index][(long)A] + freqgr * local_nvd->xx[sib_index][(long)G]; local_nvd->sumy[sib_index] = freqcy * local_nvd->xx[sib_index][(long)C] + freqty * local_nvd->xx[sib_index][(long)T]; local_nvd->vzsumr[sib_index] = local_nvd->vvzz[sib_index] * local_nvd->sumr[sib_index]; local_nvd->vzsumy[sib_index] = local_nvd->vvzz[sib_index] * local_nvd->sumy[sib_index]; } /* Initialize to one, multiply incremental values for every sibling a node has */ p_xx[(long)A] = 1 ; p_xx[(long)C] = 1 ; p_xx[(long)G] = 1 ; p_xx[(long)T] = 1 ; for (sib_index=0; sib_index < num_sibs; sib_index++) { p_xx[(long)A] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)A] + local_nvd->vzsumr[sib_index]; p_xx[(long)C] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)C] + local_nvd->vzsumy[sib_index]; p_xx[(long)G] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)G] + local_nvd->vzsumr[sib_index]; p_xx[(long)T] *= local_nvd->sum[sib_index] + local_nvd->wwzz[sib_index] * local_nvd->xx[sib_index][(long)T] + local_nvd->vzsumy[sib_index]; } /* And the final point of this whole function: */ memcpy(p->x[i][j], p_xx, sizeof(sitelike)); } } p->initialized = true; free_nvd (local_nvd); free (local_nvd); } /* nuview */ double evaluate(node *p) { contribarr tterm; static contribarr like, nulike, clai; double sum, sum2, sumc=0, y, lz, y1, z1zz, z1yy, prod12, prod1, prod2, prod3, sumterm, lterm; long i, j, k, lai; node *q, *r; sitelike x1, x2; sum = 0.0; if (p == curtree.root && (count_sibs(p) == 2)) { r = p->next->back; q = p->next->next->back; y = r->tyme + q->tyme - 2 * p->tyme; if (!r->tip && !r->initialized) nuview (r); if (!q->tip && !q->initialized) nuview (q); } else if (p == curtree.root) { /* the next two lines copy tyme and x to p->next. Normally they are not initialized for an internal node. */ /* assumes bifurcation */ p->next->tyme = p->tyme; nuview(p->next); r = p->next; q = p->next->back; y = fabs(p->next->tyme - q->tyme); } else { r = p; q = p->back; if (!r->tip && !r->initialized) nuview (r); if (!q->tip && !q->initialized) nuview (q); y = fabs(r->tyme - q->tyme); } lz = -y; for (i = 0; i < rcategs; i++) for (j = 0; j < categs; j++) { tbl[i][j]->orig_zz = exp(tbl[i][j]->ratxi * lz); tbl[i][j]->z1 = exp(tbl[i][j]->ratxv * lz); tbl[i][j]->z1zz = tbl[i][j]->z1 * tbl[i][j]->orig_zz; tbl[i][j]->z1yy = tbl[i][j]->z1 - tbl[i][j]->z1zz; } for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { if (y > 0.0) { y1 = 1.0 - tbl[j][k]->z1; z1zz = tbl[j][k]->z1zz; z1yy = tbl[j][k]->z1yy; } else { y1 = 0.0; z1zz = 1.0; z1yy = 0.0; } memcpy(x1, r->x[i][j], sizeof(sitelike)); prod1 = freqa * x1[0] + freqc * x1[(long)C - (long)A] + freqg * x1[(long)G - (long)A] + freqt * x1[(long)T - (long)A]; memcpy(x2, q->x[i][j], sizeof(sitelike)); prod2 = freqa * x2[0] + freqc * x2[(long)C - (long)A] + freqg * x2[(long)G - (long)A] + freqt * x2[(long)T - (long)A]; prod3 = (x1[0] * freqa + x1[(long)G - (long)A] * freqg) * (x2[0] * freqar + x2[(long)G - (long)A] * freqgr) + (x1[(long)C - (long)A] * freqc + x1[(long)T - (long)A] * freqt) * (x2[(long)C - (long)A] * freqcy + x2[(long)T - (long)A] * freqty); prod12 = freqa * x1[0] * x2[0] + freqc * x1[(long)C - (long)A] * x2[(long)C - (long)A] + freqg * x1[(long)G - (long)A] * x2[(long)G - (long)A] + freqt * x1[(long)T - (long)A] * x2[(long)T - (long)A]; tterm[j] = z1zz * prod12 + z1yy * prod3 + y1 * prod1 * prod2; } sumterm = 0.0; for (j = 0; j < rcategs; j++) sumterm += probcat[j] * tterm[j]; lterm = log(sumterm); for (j = 0; j < rcategs; j++) clai[j] = tterm[j] / sumterm; memcpy(contribution[i], clai, sizeof(contribarr)); if (!auto_ && usertree) l0gf[which - 1][i] = lterm; sum += aliasweight[i] * lterm; } if (auto_) { for (j = 0; j < rcategs; j++) like[j] = 1.0; for (i = 0; i < sites; i++) { if ((ally[i] > 0) && (location[ally[i]-1] > 0)) { sumc = 0.0; for (k = 0; k < rcategs; k++) sumc += probcat[k] * like[k]; sumc *= lambda; lai = location[ally[i] - 1]; memcpy(clai, contribution[lai - 1], sizeof(contribarr)); for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc) * clai[j]; } else { for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc); } memcpy(like, nulike, sizeof(contribarr)); } sum2 = 0.0; for (i = 0; i < rcategs; i++) sum2 += probcat[i] * like[i]; sum += log(sum2); } curtree.likelihood = sum; if (auto_ || !usertree) return sum; l0gl[which - 1] = sum; if (which == 1) { maxwhich = 1; maxlogl = sum; return sum; } if (sum > maxlogl) { maxwhich = which; maxlogl = sum; } return sum; } /* evaluate */ void getthree(node *p, double thigh, double tlow) { /* compute likelihood at a new triple of points */ int i; double tt = p->tyme; double td = fabs(tdelta); x[0] = tt - td; x[1] = tt; x[2] = tt + td; if ( x[0] < tlow + epsilon ) { x[0] = tlow + epsilon; x[1] = ( x[0] + x[2] ) / 2; } if ( x[2] > thigh - epsilon ) { x[2] = thigh - epsilon; x[1] = ( x[0] + x[2] ) / 2; } for ( i = 0 ; i < 3 ; i++ ) { p->tyme = x[i]; nuview(p); lnl[i] = evaluate(p); } } /* getthree */ void makenewv(node *p) { /* improve a node time */ long it, imin, imax, i, num_sibs; double tt, tfactor, tlow, thigh, oldlike, oldx, ymin, ymax, s32, s21, yold; boolean done, already; node *s, *sdown, *sib_ptr, *sib_back_ptr; s = curtree.nodep[p->index - 1]; oldx = s->tyme; oldlike = curtree.likelihood; sdown = s->back; if (s == curtree.root) tlow = -10.0; else tlow = sdown->tyme; sib_ptr = s; num_sibs = count_sibs(p); thigh = s->next->back->tyme; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr->tyme < thigh) thigh = sib_back_ptr->tyme; } done = (thigh - tlow < 4.0*epsilon); it = 1; if (s != curtree.root) tdelta = (thigh - tlow) / 10.0; else tdelta = (thigh - s->tyme) / 5.0; tfactor = 1.0; if (!done) getthree(s, thigh, tlow); while (it < iterations && !done) { ymax = lnl[0]; imax = 1; for (i = 2; i <= 3; i++) { if (lnl[i - 1] > ymax) { ymax = lnl[i - 1]; imax = i; } } if (imax != 2) { ymax = x[1]; x[1] = x[imax - 1]; x[imax - 1] = ymax; ymax = lnl[1]; lnl[1] = lnl[imax - 1]; lnl[imax - 1] = ymax; } tt = x[1]; yold = tt; s32 = (lnl[2] - lnl[1]) / (x[2] - x[1]); s21 = (lnl[1] - lnl[0]) / (x[1] - x[0]); if (fabs(x[2] - x[0]) > epsilon) curv = (s32 - s21) / ((x[2] - x[0]) / 2); else curv = 0.0; slope = (s32 + s21) / 2 - curv * (x[2] - 2 * x[1] + x[0]) / 4; if (curv >= 0.0) { if (slope < 0) tdelta = -fabs(tdelta); else tdelta = fabs(tdelta); } else tdelta = -(tfactor * slope / curv); if (tt + tdelta <= tlow + epsilon) tdelta = tlow + epsilon - tt; if (tt + tdelta >= thigh - epsilon) tdelta = thigh - epsilon - tt; tt += tdelta; done = (fabs(yold - tt) < epsilon || fabs(tdelta) < epsilon); s->tyme = tt; nuview(s); lnlike = evaluate(s); ymin = lnl[0]; imin = 1; for (i = 2; i <= 3; i++) { if (lnl[i - 1] < ymin) { ymin = lnl[i - 1]; imin = i; } } already = (tt == x[0]) || (tt == x[1]) || (tt == x[2]); if (!already && ymin < lnlike) { x[imin - 1] = tt; lnl[imin - 1] = lnlike; } if (already || lnlike < oldlike) { tt = oldx; s->tyme = oldx; x[1] = oldx; lnl[1] = oldlike; tfactor /= 2; tdelta /= 2; curtree.likelihood = oldlike; lnlike = oldlike; } else tfactor = 1.0; if (!done) { sib_ptr = p; num_sibs = count_sibs(p); p->tyme = tt; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->tyme = tt; } sib_ptr = p; nuview(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; nuview(sib_ptr); } } it++; } sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; inittrav (sib_ptr); } smoothed = smoothed && done; } /* makenewv */ void update(node *p) { node *sib_ptr, *sib_back_ptr; long i, num_sibs; /* improve time and recompute views at a node */ if (p == NULL) return; if (p->back != NULL) { if (!p->back->tip && !p->back->initialized) nuview(p->back); } sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr != NULL) { if (!sib_back_ptr->tip && !sib_back_ptr->initialized) nuview(sib_back_ptr); } } if ((!usertree) || (usertree && !lngths) || p->iter) { makenewv(p); return; } nuview(p); sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; nuview(sib_ptr); } } /* update */ void smooth(node *p) { node *sib_ptr; long i, num_sibs; if (p == NULL) return; if (p->tip) return; update(p); smoothed = false; sib_ptr = p; num_sibs = count_sibs(p); for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; if (polishing || (smoothit && !smoothed)) { smooth(sib_ptr->back); p->initialized = false; sib_ptr->initialized = false; } update(p); } } /* smooth */ void restoradd(node *below, node *newtip, node *newfork, double prevtyme) { /* restore "new" tip and fork to place "below". restore tymes */ /* assumes bifurcation */ hookup(newfork, below->back); hookup(newfork->next, below); hookup(newtip, newfork->next->next); curtree.nodep[newfork->index-1] = newfork; newfork->tyme = prevtyme; /* assumes bifurcations */ newfork->next->tyme = prevtyme; newfork->next->next->tyme = prevtyme; } /* restoradd */ void dnamlk_add(node *below, node *newtip, node *newfork) { /* inserts the nodes newfork and its descendant, newtip, into the tree. */ long i; boolean done; node *p; below = curtree.nodep[below->index - 1]; newfork = curtree.nodep[newfork->index-1]; newtip = curtree.nodep[newtip->index-1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (newtip->tyme < below->tyme) p = newtip; else p = below; newfork->tyme = p->tyme; if (curtree.root == below) curtree.root = newfork; if (newfork->back != NULL) { if (p->tyme > newfork->back->tyme) newfork->tyme = (p->tyme + newfork->back->tyme) / 2.0; else newfork->tyme = p->tyme - epsilon; newfork->next->tyme = newfork->tyme; newfork->next->next->tyme = newfork->tyme; do { p = curtree.nodep[p->back->index - 1]; done = (p == curtree.root); if (!done) done = (curtree.nodep[p->back->index - 1]->tyme < p->tyme - epsilon); if (!done) { curtree.nodep[p->back->index - 1]->tyme = p->tyme - epsilon; curtree.nodep[p->back->index - 1]->next->tyme = p->tyme - epsilon; curtree.nodep[p->back->index - 1]->next->next->tyme = p->tyme - epsilon; } } while (!done); } else { newfork->tyme = newfork->tyme - 2*epsilon; newfork->next->tyme = newfork->tyme; newfork->next->next->tyme = newfork->tyme; } inittrav(newtip); inittrav(newtip->back); smoothed = false; i = 1; while (i < smoothings && !smoothed) { smoothed = true; smooth(newfork); smooth(newfork->back); i++; } } /* dnamlk_add */ void dnamlk_re_move(node **item, node **fork, boolean tempadd) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork */ node *p, *q; long i; if ((*item)->back == NULL) { *fork = NULL; return; } *item = curtree.nodep[(*item)->index-1]; *fork = curtree.nodep[(*item)->back->index - 1]; if (curtree.root == *fork) { if (*item == (*fork)->next->back) curtree.root = (*fork)->next->next->back; else curtree.root = (*fork)->next->back; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; /* debug replace by hookup calls? Does that have NULL protection? */ if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; inittrav(p); inittrav(q); if (tempadd) return; i = 1; while (i <= smoothings) { smooth(q); if (smoothit) smooth(q->back); i++; } } /* dnamlk_re_move */ void tryadd(node *p, node **item, node **nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater likelihood than other locations tested up to that time, then keeps that location as there */ dnamlk_add(p, *item, *nufork); like = evaluate(p); if (lastsp) { if (like >= bestree.likelihood || bestree.likelihood == UNDEFINED) { copy_(&curtree, &bestree, nonodes, rcategs); if (global2) save_tree_tyme(&curtree,tymes); } } if (like > bestyet || bestyet == UNDEFINED) { bestyet = like; there = p; } dnamlk_re_move(item, nufork, true); if ( global2 ) { restore_saved_tyme(&curtree,tymes); } } /* tryadd */ void addpreorder(node *p, node *item_, node *nufork_, boolean contin, boolean continagain) { /* traverses a binary tree, calling function tryadd at a node before calling tryadd at its descendants */ node *item, *nufork; item = item_; nufork = nufork_; if (p == NULL) return; tryadd(p, &item, &nufork); contin = continagain; if ((!p->tip) && contin) { addpreorder(p->next->back, item, nufork, contin, continagain); addpreorder(p->next->next->back, item, nufork, contin, continagain); } } /* addpreorder */ void tryrearr(node *p, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater likelihood than the old one sets success = TRUE and keeps the new tree. otherwise, restores the old tree */ node *frombelow, *whereto, *forknode; double oldlike, prevtyme; boolean wasonleft; if (p == curtree.root) return; forknode = curtree.nodep[p->back->index - 1]; if (forknode == curtree.root) return; oldlike = bestyet; prevtyme = forknode->tyme; /* the following statement presumes bifurcating tree */ if (forknode->next->back == p) { frombelow = forknode->next->next->back; wasonleft = true; } else { frombelow = forknode->next->back; wasonleft = false; } whereto = curtree.nodep[forknode->back->index - 1]; dnamlk_re_move(&p, &forknode, true); dnamlk_add(whereto, p, forknode); like = evaluate(p); if (like <= oldlike && oldlike != UNDEFINED) { dnamlk_re_move(&p, &forknode, true); restoradd(frombelow, p, forknode, prevtyme); if (wasonleft && (forknode->next->next->back == p)) { hookup (forknode->next->back, forknode->next->next); hookup (forknode->next, p); } curtree.likelihood = oldlike; inittrav(forknode); inittrav(forknode->next); inittrav(forknode->next->next); } else { (*success) = true; bestyet = like; } } /* tryrearr */ void repreorder(node *p, boolean *success) { /* traverses a binary tree, calling function tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p, success); if (p->tip) return; if (!(*success)) repreorder(p->next->back, success); if (!(*success)) repreorder(p->next->next->back, success); } /* repreorder */ void rearrange(node **r) { /* traverses the tree (preorder), finding any local rearrangement which increases the likelihood. if traversal succeeds in increasing the tree's likelihood, function rearrange runs traversal again */ boolean success; success = true; while (success) { success = false; repreorder(*r, &success); } } /* rearrange */ void initdnamlnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; malloc_pheno((*p), endsite, rcategs); nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); malloc_pheno(*p, endsite, rcategs); (*p)->index = nodei; break; case tip: match_names_to_data (str, nodep, p, spp); break; case iter: (*p)->initialized = false; (*p)->v = initialv; (*p)->iter = true; if ((*p)->back != NULL) (*p)->back->iter = true; break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); (*p)->v = valyew / divisor / fracchange; (*p)->iter = false; if ((*p)->back != NULL) { (*p)->back->v = (*p)->v; (*p)->back->iter = false; } break; case hslength: break; case hsnolength: break; case treewt: break; case unittrwt: curtree.nodep[spp]->iter = false; break; } } /* initdnamlnode */ void tymetrav(node *p, double *x) { /* set up times of nodes */ node *sib_ptr, *q; long i, num_sibs; double xmax; xmax = 0.0; if (!p->tip) { sib_ptr = p; num_sibs = count_sibs(p); for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; tymetrav(sib_ptr->back, x); if (xmax > (*x)) xmax = (*x); } } else (*x) = 0.0; p->tyme = xmax; if (!p->tip) { q = p; while (q->next != p) { q = q->next; q->tyme = p->tyme; } } (*x) = p->tyme - p->v; } /* tymetrav */ void dnamlk_coordinates(node *p, long *tipy) { /* establishes coordinates of nodes */ node *q, *first, *last, *pp1 =NULL, *pp2 =NULL; long num_sibs, p1, p2, i; if (p->tip) { p->xcoord = 0; p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; return; } q = p->next; do { dnamlk_coordinates(q->back, tipy); q = q->next; } while (p != q); num_sibs = count_sibs(p); p1 = (long)((num_sibs+1)/2.0); p2 = (long)((num_sibs+2)/2.0); i = 1; q = p->next; first = q->back; do { if (i == p1) pp1 = q->back; if (i == p2) pp2 = q->back; last = q->back; q = q->next; i++; } while (q != p); p->xcoord = (long)(0.5 - over * p->tyme); p->ycoord = (pp1->ycoord + pp2->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* dnamlk_coordinates */ void dnamlk_drawline(long i, double scale) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j; boolean extra, done; p = curtree.root; q = curtree.root; extra = false; if ((long)(p->ycoord) == i) { if (p->index - spp >= 10) fprintf(outfile, "-%2ld", p->index - spp); else fprintf(outfile, "--%ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)(scale * ((long)(p->xcoord) - (long)(q->xcoord)) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)(q->ycoord) == i && !done) { if (p->ycoord != q->ycoord) putc('+', outfile); else putc('-', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)(last->ycoord) > i && (long)(first->ycoord) < i && i != (long)(p->ycoord)) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (p != q) p = q; } while (!done); if ((long)(p->ycoord) == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* dnamlk_drawline */ void dnamlk_printree() { /* prints out diagram of the tree */ long tipy; double scale; long i; node *p; if (!treeprint) return; putc('\n', outfile); tipy = 1; dnamlk_coordinates(curtree.root, &tipy); p = curtree.root; while (!p->tip) p = p->next->back; scale = 1.0 / (long)(p->tyme - curtree.root->tyme + 1.000); putc('\n', outfile); for (i = 1; i <= tipy - down; i++) dnamlk_drawline(i, scale); putc('\n', outfile); } /* dnamlk_printree */ void describe(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; double v; if (p == curtree.root) fprintf(outfile, " root "); else fprintf(outfile, "%4ld ", p->back->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); if (p != curtree.root) { fprintf(outfile, "%11.5f", fracchange * (p->tyme - curtree.root->tyme)); v = fracchange * (p->tyme - curtree.nodep[p->back->index - 1]->tyme); fprintf(outfile, "%13.5f", v); } putc('\n', outfile); if (!p->tip) { sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; describe(sib_back_ptr); } } } /* describe */ void reconstr(node *p, long n) { /* reconstruct and print out base at site n+1 at node p */ long i, j, k, m, first, second, num_sibs; double f, sum, xx[4]; node *q; if ((ally[n] == 0) || (location[ally[n]-1] == 0)) putc('.', outfile); else { j = location[ally[n]-1] - 1; for (i = 0; i < 4; i++) { f = p->x[j][mx-1][i]; num_sibs = count_sibs(p); q = p; for (k = 0; k < num_sibs; k++) { q = q->next; f *= q->x[j][mx-1][i]; } f = sqrt(f); xx[i] = f; } xx[0] *= freqa; xx[1] *= freqc; xx[2] *= freqg; xx[3] *= freqt; sum = xx[0]+xx[1]+xx[2]+xx[3]; for (i = 0; i < 4; i++) xx[i] /= sum; first = 0; for (i = 1; i < 4; i++) if (xx [i] > xx[first]) first = i; if (first == 0) second = 1; else second = 0; for (i = 0; i < 4; i++) if ((i != first) && (xx[i] > xx[second])) second = i; m = 1 << first; if (xx[first] < 0.4999995) m = m + (1 << second); if (xx[first] > 0.95) putc(toupper(basechar[m - 1]), outfile); else putc(basechar[m - 1], outfile); if (rctgry && rcategs > 1) mx = mp[n][mx - 1]; else mx = 1; } } /* reconstr */ void rectrav(node *p, long m, long n) { /* print out segment of reconstructed sequence for one branch */ long num_sibs, i; node *sib_ptr; putc(' ', outfile); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index-1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, " "); mx = mx0; for (i = m; i <= n; i++) { if ((i % 10 == 0) && (i != m)) putc(' ', outfile); if (p->tip) putc(y[p->index-1][i], outfile); else reconstr(p, i); } putc('\n', outfile); if (!p->tip) { num_sibs = count_sibs(p); sib_ptr = p; for (i = 0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; rectrav(sib_ptr->back, m, n); } } mx1 = mx; } /* rectrav */ void summarize() { long i, j, mm; double mode, sum; double like[maxcategs], nulike[maxcategs]; double **marginal; mp = (long **)Malloc(sites * sizeof(long *)); for (i = 0; i <= sites-1; ++i) mp[i] = (long *)Malloc(sizeof(long)*rcategs); fprintf(outfile, "\nLn Likelihood = %11.5f\n\n", curtree.likelihood); fprintf(outfile, " Ancestor Node Node Height Length\n"); fprintf(outfile, " -------- ---- ---- ------ ------\n"); describe(curtree.root); putc('\n', outfile); if (rctgry && rcategs > 1) { for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (lambda1 + lambda * probcat[j]) * like[j]; mp[i][j] = j + 1; for (k = 1; k <= rcategs; k++) { if (k != j + 1) { if (lambda * probcat[k - 1] * like[k - 1] > nulike[j]) { nulike[j] = lambda * probcat[k - 1] * like[k - 1]; mp[i][j] = k; } } } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); } mode = 0.0; mx = 1; for (i = 1; i <= rcategs; i++) { if (probcat[i - 1] * like[i - 1] > mode) { mx = i; mode = probcat[i - 1] * like[i - 1]; } } mx0 = mx; fprintf(outfile, "Combination of categories that contributes the most to the likelihood:\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 1; i <= sites; i++) { fprintf(outfile, "%ld", mx); if (i % 10 == 0) putc(' ', outfile); if (i % 60 == 0 && i != sites) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } mx = mp[i - 1][mx - 1]; } fprintf(outfile, "\n\n"); marginal = (double **) Malloc( sites*sizeof(double *)); for (i = 0; i < sites; i++) marginal[i] = (double *) Malloc( rcategs*sizeof(double)); for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (lambda1 + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) { nulike[j] /= sum; marginal[i][j] = nulike[j]; } memcpy(like, nulike, rcategs * sizeof(double)); } for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (lambda1 + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } marginal[i][j] *= like[j] * probcat[j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); sum = 0.0; for (j = 0; j < rcategs; j++) sum += marginal[i][j]; for (j = 0; j < rcategs; j++) marginal[i][j] /= sum; } fprintf(outfile, "Most probable category at each site if > 0.95 probability (\".\" otherwise)\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) if (marginal[i][j] > sum) { sum = marginal[i][j]; mm = j; } if (sum >= 0.95) fprintf(outfile, "%ld", mm+1); else putc('.', outfile); if ((i+1) % 60 == 0) { if (i != 0) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } } else if ((i+1) % 10 == 0) putc(' ', outfile); } putc('\n', outfile); for (i = 0; i < sites; i++) free(marginal[i]); free(marginal); } putc('\n', outfile); putc('\n', outfile); if (hypstate) { fprintf(outfile, "Probable sequences at interior nodes:\n\n"); fprintf(outfile, " node "); for (i = 0; (i < 13) && (i < ((sites + (sites-1)/10 - 39) / 2)); i++) putc(' ', outfile); fprintf(outfile, "Reconstructed sequence (caps if > 0.95)\n\n"); if (!rctgry || (rcategs == 1)) mx0 = 1; for (i = 0; i < sites; i += 60) { k = i + 59; if (k >= sites) k = sites - 1; rectrav(curtree.root, i, k); putc('\n', outfile); mx0 = mx1; } } for (i = 0; i < sites; ++i) free(mp[i]); free(mp); } /* summarize */ void dnamlk_treeout(node *p) { /* write out file with representation of final tree */ node *sib_ptr; long i, n, w, num_sibs; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { sib_ptr = p; num_sibs = count_sibs(p); putc('(', outtree); col++; for (i=0; i < (num_sibs - 1); i++) { sib_ptr = sib_ptr->next; dnamlk_treeout(sib_ptr->back); putc(',', outtree); col++; if (col > 55) { putc('\n', outtree); col = 0; } } sib_ptr = sib_ptr->next; dnamlk_treeout(sib_ptr->back); putc(')', outtree); col++; } if (p == curtree.root) { fprintf(outtree, ";\n"); return; } x = fracchange * (p->tyme - curtree.nodep[p->back->index - 1]->tyme); if (x > 0.0) w = (long)(0.4342944822 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.4342944822 * log(-x)) + 1; if (w < 0) w = 0; fprintf(outtree, ":%*.5f", (int)(w + 7), x); col += w + 8; } /* dnamlk_treeout */ void nodeinit(node *p) { /* set up times at one node */ node *sib_ptr, *sib_back_ptr; long i, num_sibs; double lowertyme; sib_ptr = p; num_sibs = count_sibs(p); /* lowertyme = lowest of children's times */ lowertyme = p->next->back->tyme; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr->tyme < lowertyme) lowertyme = sib_back_ptr->tyme; } p->tyme = lowertyme - 0.1; sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; sib_ptr->tyme = p->tyme; sib_back_ptr->v = sib_back_ptr->tyme - p->tyme; sib_ptr->v = sib_back_ptr->v; } } /* nodeinit */ void initrav(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; /* traverse to set up times throughout tree */ if (p->tip) return; sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; initrav(sib_back_ptr); } nodeinit(p); } /* initrav */ void travinit(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; /* traverse to set up initial values */ if (p == NULL) return; if (p->tip) return; if (p->initialized) return; sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; travinit(sib_back_ptr); } nuview(p); p->initialized = true; } /* travinit */ void travsp(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; /* traverse to find tips */ if (p == curtree.root) travinit(p); if (p->tip) travinit(p->back); else { sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; travsp(sib_back_ptr); } } } /* travsp */ void treevaluate() { /* evaluate likelihood of tree, after iterating branch lengths */ long i, j, num_sibs; node *sib_ptr; polishing = true; smoothit = true; if (lngths == 0 && usertree == 1) { for (i = 0; i < spp; i++) curtree.nodep[i]->initialized = false; for (i = spp; i < nonodes; i++) { sib_ptr = curtree.nodep[i]; sib_ptr->initialized = false; num_sibs = count_sibs(sib_ptr); for (j=0 ; j < num_sibs; j++) { sib_ptr = sib_ptr->next; sib_ptr->initialized = false; } } initrav(curtree.root); travsp(curtree.root); } for (i = 1; i <= smoothings * 4; i++) smooth(curtree.root); evaluate(curtree.root); } /* treevaluate */ void maketree() { /* constructs a binary tree from the pointers in curtree.nodep, adds each node at location which yields highest likelihood then rearranges the tree for greatest likelihood */ long i, j, numtrees; double x; node *item, *nufork, *dummy, *q, *root=NULL; boolean dummy_haslengths, dummy_first, goteof; long nextnode; pointarray dummy_treenode=NULL; double oldbest; node *tmp; int succeded = false; inittable(); if (!usertree) { for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); curtree.root = curtree.nodep[spp]; curtree.root->back = NULL; for (i = 0; i < spp; i++) curtree.nodep[i]->back = NULL; for (i = spp; i < nonodes; i++) { q = curtree.nodep[i]; q->back = NULL; while ((q = q->next) != curtree.nodep[i]) q->back = NULL; } polishing = false; dnamlk_add(curtree.nodep[enterorder[0] - 1], curtree.nodep[enterorder[1] - 1], curtree.nodep[spp]); if (progress) { printf("\nAdding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastsp = false; smoothit = false; for (i = 3; i <= spp; i++) { bestree.likelihood = UNDEFINED; bestyet = UNDEFINED; there = curtree.root; item = curtree.nodep[enterorder[i - 1] - 1]; nufork = curtree.nodep[spp + i - 2]; lastsp = (i == spp); addpreorder(curtree.root, item, nufork, true, true); dnamlk_add(there, item, nufork); like = evaluate(curtree.root); copy_(&curtree, &bestree, nonodes, rcategs); rearrange(&curtree.root); if (curtree.likelihood > bestree.likelihood) { copy_(&curtree, &bestree, nonodes, rcategs); } if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } if (lastsp && global) { if (progress) { printf("Doing global rearrangements\n"); printf(" !"); for (j = 1; j <= nonodes; j++) putchar('-'); printf("!\n"); } global2 = true; do { succeded = false; if (progress) printf(" "); save_tree_tyme(&curtree, tymes); for (j = 0; j < nonodes; j++) { oldbest = bestree.likelihood; bestyet = UNDEFINED; item = curtree.nodep[j]; if (item != curtree.root) { nufork = curtree.nodep[curtree.nodep[j]->back->index - 1]; if (nufork != curtree.root) { tmp = nufork->next->back; if (tmp == item) tmp = nufork->next->next->back; /* can't figure out why we never get here */ } else { if (nufork->next->back != item) tmp = nufork->next->back; else tmp = nufork->next->next->back; } /* if we add item at tmp we have done nothing */ dnamlk_re_move(&item, &nufork, false); there = curtree.root; addpreorder(curtree.root, item, nufork, true, true); if ( tmp != there && bestree.likelihood > oldbest) succeded = true; dnamlk_add(there, item, nufork); restore_saved_tyme(&curtree,tymes); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) putchar('\n'); } while ( succeded ); } } if (njumble > 1 && lastsp) { for (i = 0; i < spp; i++ ) dnamlk_re_move(&curtree.nodep[i], &dummy, false); if (jumb == 1 || bestree2.likelihood < bestree.likelihood) copy_(&bestree, &bestree2, nonodes, rcategs); } if (jumb == njumble) { if (njumble > 1) copy_(&bestree2, &curtree, nonodes, rcategs); else copy_(&bestree, &curtree, nonodes, rcategs); fprintf(outfile, "\n\n"); treevaluate(); curtree.likelihood = evaluate(curtree.root); dnamlk_printree(); summarize(); if (trout) { col = 0; dnamlk_treeout(curtree.root); } } } else { openfile(&intree, INTREE, "input tree file", "r", progname, intreename); inittable_for_usertree (intree); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); l0gl = (double *)Malloc(numtrees * sizeof(double)); l0gf = (double **)Malloc(numtrees * sizeof(double *)); for (i=0; i < numtrees; ++i) l0gf[i] = (double *)Malloc(endsite * sizeof(double)); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } fprintf(outfile, "\n\n"); which = 1; while (which <= numtrees) { /* These initializations required each time through the loop since multiple trees require re-initialization */ dummy_haslengths = true; nextnode = 0; dummy_first = true; goteof = false; treeread(intree, &root, dummy_treenode, &goteof, &dummy_first, curtree.nodep, &nextnode, &dummy_haslengths, &grbg, initdnamlnode); nonodes = nextnode; root = curtree.nodep[root->index - 1]; curtree.root = root; if (lngths) tymetrav(curtree.root, &x); if (goteof && (which <= numtrees)) { /* if we hit the end of the file prematurely */ printf ("\n"); printf ("ERROR: trees missing at end of file.\n"); printf ("\tExpected number of trees:\t\t%ld\n", numtrees); printf ("\tNumber of trees actually in file:\t%ld.\n\n", which - 1); exxit(-1); } curtree.start = curtree.nodep[0]->back; treevaluate(); dnamlk_printree(); summarize(); if (trout) { col = 0; dnamlk_treeout(curtree.root); } which++; } FClose(intree); if (!auto_ && numtrees > 1 && weightsum > 1 ) standev2(numtrees, maxwhich, 0, endsite, maxlogl, l0gl, l0gf, aliasweight, seed); } if (jumb == njumble) { if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Tree also written onto file \"%s\"\n\n", outtreename); } free(contribution); freex(nonodes, curtree.nodep); if (!usertree) { freex(nonodes, bestree.nodep); if (njumble > 1) freex(nonodes, bestree2.nodep); } } free(root); } /* maketree */ /*?? Dnaml has a clean-up function for freeing memory, closing files, etc. Put one here too? */ int main(int argc, Char *argv[]) { /* DNA Maximum Likelihood with molecular clock */ #ifdef MAC argc = 1; /* macsetup("Dnamlk", "Dnamlk"); */ argv[0] = "Dnamlk"; #endif init(argc,argv); progname = argv[0]; openfile(&infile, INFILE, "input file", "r", argv[0], infilename); openfile(&outfile, OUTFILE, "output file", "w", argv[0], outfilename); ibmpc = IBMCRT; ansi = ANSICRT; datasets = 1; mulsets = false; firstset = true; doinit(); ttratio0 = ttratio; if (trout) openfile(&outtree, OUTTREE, "output tree file", "w", argv[0], outtreename); if (ctgry) openfile(&catfile, CATFILE, "categories file", "r", argv[0], catfilename); if (weights || justwts) openfile(&weightfile, WEIGHTFILE, "weights file", "r", argv[0], weightfilename); for (ith = 1; ith <= datasets; ith++) { ttratio = ttratio0; if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n\n", ith); if (progress) printf("\nData set # %ld:\n", ith); } getinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* DNA Maximum Likelihood with molecular clock */ ./arbsrc_9167/GDE/PHYLIP/dnamove.c0000644012664100000130000013364511213220011016333 0ustar arb_buildcoders #include "phylip.h" #include "moves.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define overr 4 #define which 1 typedef enum { horiz, vert, up, overt, upcorner, downcorner, aa, cc, gg, tt, question } chartype; typedef enum { rearr, flipp, reroott, none } rearrtype; typedef struct gbase2 { baseptr2 base2; struct gbase2 *next; } gbase2; typedef enum { arb, use, spec } howtree; typedef node **pointptr; #ifndef OLDC /* function prototypes */ void dnamove_gnu(gbase2 **); void dnamove_chuck(gbase2 *); void getoptions(void); void inputoptions(void); void dnamove_inputdata(void); void allocrest(void); void doinput(void); void configure(void); void prefix(chartype); void postfix(chartype); void makechar(chartype); void dnamove_add(node *, node *, node *); void dnamove_re_move(node **, node **); void dnamove_fillin(node *); void dnamove_postorder(node *); void evaluate(node *); void dnamove_reroot(node *); void dnamove_ancestset(long, long, long *); void firstrav(node *, long); void dnamove_hyptrav(node *, long *, long, boolean *); void dnamove_hypstates(void); void grwrite(chartype, long, long *); void dnamove_drawline(long); void dnamove_printree(void); void arbitree(void); void yourtree(void); void initdnamovenode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void buildtree(void); void setorder(void); void mincomp(void); void rearrange(void); void dnamove_nextinc(void); void dnamove_nextchar(void); void dnamove_prevchar(void); void dnamove_show(void); void tryadd(node *, node **, node **, double *); void addpreorder(node *, node *, node *, double *); void try(void); void undo(void); void treewrite(boolean); void clade(void); void flip(void); void changeoutgroup(void); void redisplay(void); void treeconstruct(void); /* function prototypes */ #endif char infilename[FNMLNGTH],intreename[FNMLNGTH],outtreename[FNMLNGTH], weightfilename[FNMLNGTH]; node *root; long chars, screenlines, col, treelines, leftedge, topedge, vmargin, hscroll, vscroll, scrollinc, screenwidth, farthest; boolean weights, thresh, waswritten; boolean usertree, goteof, firsttree, haslengths; /*treeread variables*/ pointarray nodep; /*treeread variables*/ node *grbg = NULL; /*treeread variables*/ long *zeros; /*treeread variables*/ pointptr treenode; /* pointers to all nodes in tree */ double threshold; double *threshwt; boolean reversed[11]; boolean graphic[11]; unsigned char chh[11]; howtree how; gbase2 *garbage; char *progname; /* Local variables for treeconstruct, propogated global for C version: */ long dispchar, atwhat, what, fromwhere, towhere, oldoutgrno, compatible; double like, bestyet, gotlike; boolean display, newtree, changed, subtree, written, oldwritten, restoring, wasleft, oldleft, earlytree; steptr necsteps; boolean *in_tree; long sett[31]; steptr numsteps; node *nuroot; rearrtype lastop; Char ch; boolean *names; void dnamove_gnu(gbase2 **p) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (garbage != NULL) { *p = garbage; garbage = garbage->next; } else { *p = (gbase2 *)Malloc(sizeof(gbase2)); (*p)->base2 = (baseptr2)Malloc(chars*sizeof(long)); } (*p)->next = NULL; } /* dnamove_gnu */ void dnamove_chuck(gbase2 *p) { /* collect garbage on p -- put it on front of garbage list */ p->next = garbage; garbage = p; } /* dnamove_chuck */ void getoptions() { /* interactively set options */ Char ch; boolean done, gotopt; long loopcount; how = arb; usertree = false; goteof = false; outgrno = 1; outgropt = false; thresh = false; weights = false; interleaved = true; loopcount = 0; do { cleerhome(); printf("\nInteractive DNA parsimony, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at sequence number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count up to%4.1f per site\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" U Initial tree (arbitrary, user, specify)? %s\n", (how == arb) ? "Arbitrary" : (how == use) ? "User tree from tree file" : "Tree you specify"); printf(" 0 Graphics type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC\n" : ansi ? "ANSI" : "(none)"); printf(" S Width of terminal screen?"); printf("%4ld\n", screenwidth); printf(" L Number of lines on screen?%4ld\n",screenlines); printf("\nAre these settings correct? "); printf("(type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); gotopt = (strchr("SOTIU0WL",ch) != NULL) ? true : false; if (gotopt) { switch (ch) { case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'I': interleaved = !interleaved; break; case 'W': weights = !weights; break; case 'U': if (how == arb){ how = use; usertree = 1;} else if (how == use){ how = spec; usertree = 0;} else how = arb; break; case '0': initterminal(&ibmpc, &ansi); break; case 'S': screenwidth= readlong("Width of terminal screen (in characters)?\n"); break; case 'L': initnumlines(&screenlines); break; } } if (!(gotopt || done)) printf("Not a possible option!\n"); countup(&loopcount, 100); } while (!done); if (scrollinc < screenwidth / 2.0) hscroll = scrollinc; else hscroll = screenwidth / 2; if (scrollinc < screenlines / 2.0) vscroll = scrollinc; else vscroll = screenlines / 2; } /* getoptions */ void inputoptions() { /* input the information on the options */ long i; for (i = 0; i < (chars); i++) weight[i] = 1; if (weights){ inputweights(chars, weight, &weights); printweights(stdout, 0, chars, weight, "Sites"); } if (!thresh) threshold = spp; for (i = 0; i < (chars); i++) threshwt[i] = threshold * weight[i]; } /* inputoptions */ void dnamove_inputdata() { /* input the names and sequences for each species */ long i,j, basesread, basesnew=0; Char charstate; boolean allread, done; long ns = 0; /* temporary base set for input */ basesread = 0; allread = false; while (!(allread)) { if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp ) { if ((interleaved && basesread == 0) || !interleaved) initname(i - 1); if (interleaved) j = basesread; else j = 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < chars && !(eoln(infile) || eoff(infile))) { charstate = gettc(infile); if (ch == '\n') ch = ' '; if (charstate == ' ' || (charstate >= '0' && charstate <= '9')) continue; uppercase(&charstate); if ((strchr("ABCDGHKMNRSTUVWXY?O-",charstate)) == NULL){ printf("ERROR: bad base: %c at site %5ld of species %3ld\n", charstate, j+1, i); if (charstate == '.') { printf(" Periods (.) may not be used as gap characters.\n"); printf(" The correct gap character is (-)\n"); } exxit(-1); } j++; switch (charstate) { case 'A': ns = 1L << ((long)A); break; case 'C': ns = 1L << ((long)C); break; case 'G': ns = 1L << ((long)G); break; case 'U': ns = 1L << ((long)T); break; case 'T': ns = 1L << ((long)T); break; case 'M': ns = (1L << ((long)A)) | (1L << ((long)C)); break; case 'R': ns = (1L << ((long)A)) | (1L << ((long)G)); break; case 'W': ns = (1L << ((long)A)) | (1L << ((long)T)); break; case 'S': ns = (1L << ((long)C)) | (1L << ((long)G)); break; case 'Y': ns = (1L << ((long)C)) | (1L << ((long)T)); break; case 'K': ns = (1L << ((long)G)) | (1L << ((long)T)); break; case 'B': ns = (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)); break; case 'D': ns = (1L << ((long)A)) | (1L << ((long)G)) | (1L << ((long)T)); break; case 'H': ns = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)T)); break; case 'V': ns = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)); break; case 'N': ns = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)); break; case 'X': ns = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)); break; case '?': ns = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)) | (1L << ((long)O)); break; case 'O': ns = 1L << ((long)O); break; case '.': ns = treenode[0]->base2[j - 1]; break; case '-': ns = 1L << ((long)O); break; } treenode[i - 1]->base2[j - 1] = ns; } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) basesnew = j; scan_eoln(infile); if ((interleaved && j != basesnew) || ((!interleaved) && j != chars)){ printf("ERROR: sequences out of alignment\n"); exxit(-1);} i++; } if (interleaved) { basesread = basesnew; allread = (basesread == chars); } else allread = (i > spp); } root = NULL; printf("\n\n"); } /* dnamove_inputdata */ void allocrest() { nayme = (naym *)Malloc(spp*sizeof(naym)); in_tree = (boolean *)Malloc(nonodes*sizeof(boolean)); weight = (steptr)Malloc(chars*sizeof(long)); numsteps = (steptr)Malloc(chars*sizeof(long)); necsteps = (steptr)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); } /* allocrest */ void doinput() { /* reads the input data */ long i, j; node *p; inputnumbers(&spp, &chars, &nonodes, 1); printf("%2ld species, %3ld sites\n", spp, chars); getoptions(); printf("\nReading input file ...\n\n"); if (weights) openfile(&weightfile,WEIGHTFILE,"weights file","r",progname,weightfilename); allocrest(); inputoptions(); alloctree(&treenode, nonodes, usertree); for (i = 0; i < (spp); i++) treenode[i]->base2 = (baseptr2)Malloc(chars*sizeof(long)); if(!usertree) { for (i = spp; i < (nonodes); i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->base2 = (baseptr2)Malloc(chars*sizeof(long)); p = p->next; } } } setuptree(treenode, nonodes, usertree); dnamove_inputdata(); } /* doinput */ void configure() { /* configure to machine -- set up special characters */ chartype a; for (a = horiz; (long)a <= (long)question; a = (chartype)((long)a + 1)) reversed[(long)a] = false; for (a = horiz; (long)a <= (long)question; a = (chartype)((long)a + 1)) graphic[(long)a] = false; if (ibmpc) { chh[(long)horiz] = 205; graphic[(long)horiz] = true; chh[(long)vert] = 186; graphic[(long)vert] = true; chh[(long)up] = 186; graphic[(long)up] = true; chh[(long)overt] = 205; graphic[(long)overt] = true; chh[(long)upcorner] = 200; graphic[(long)upcorner] = true; chh[(long)downcorner] = 201; graphic[(long)downcorner] = true; chh[(long)aa] = 176; chh[(long)cc] = 178; chh[(long)gg] = 177; chh[(long)tt] = 219; chh[(long)question] = '\001'; return; } if (ansi) { chh[(long)horiz] = ' '; reversed[(long)horiz] = true; chh[(long)vert] = chh[(long)horiz]; reversed[(long)vert] = true; chh[(long)up] = 'x'; graphic[(long)up] = true; chh[(long)overt] = 'q'; graphic[(long)overt] = true; chh[(long)upcorner] = 'm'; graphic[(long)upcorner] = true; chh[(long)downcorner] = 'l'; graphic[(long)downcorner] = true; chh[(long)aa] = 'a'; reversed[(long)aa] = true; chh[(long)cc] = 'c'; reversed[(long)cc] = true; chh[(long)gg] = 'g'; reversed[(long)gg] = true; chh[(long)tt] = 't'; reversed[(long)tt] = true; chh[(long)question] = '?'; reversed[(long)question] = true; return; } chh[(long)horiz] = '='; chh[(long)vert] = ' '; chh[(long)up] = '!'; chh[(long)upcorner] = '`'; chh[(long)downcorner] = ','; chh[(long)overt] = '-'; chh[(long)aa] = 'a'; chh[(long)cc] = 'c'; chh[(long)gg] = 'g'; chh[(long)tt] = 't'; chh[(long)question] = '.'; } /* configure */ void prefix(chartype a) { /* give prefix appropriate for this character */ if (reversed[(long)a]) prereverse(ansi); if (graphic[(long)a]) pregraph2(ansi); } /* prefix */ void postfix(chartype a) { /* give postfix appropriate for this character */ if (reversed[(long)a]) postreverse(ansi); if (graphic[(long)a]) postgraph2(ansi); } /* postfix */ void makechar(chartype a) { /* print out a character with appropriate prefix or postfix */ prefix(a); putchar(chh[(long)a]); postfix(a); } /* makechar */ void dnamove_add(node *below, node *newtip, node *newfork) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant */ boolean putleft; node *leftdesc, *rtdesc; if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; putleft = true; if (restoring) putleft = wasleft; if (putleft) { leftdesc = newtip; rtdesc = below; } else { leftdesc = below; rtdesc = newtip; } rtdesc->back = newfork->next->next; newfork->next->next->back = rtdesc; newfork->next->back = leftdesc; leftdesc->back = newfork->next; if (root == below) root = newfork; root->back = NULL; } /* dnamove_add */ void dnamove_re_move(node **item, node **fork) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork */ node *p, *q; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = treenode[(*item)->back->index - 1]; if (*item == (*fork)->next->back) { if (root == *fork) root = (*fork)->next->next->back; wasleft = true; } else { if (root == *fork) root = (*fork)->next->back; wasleft = false; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; } /* dnamove_re_move */ void dnamove_fillin(node *p) { /* sets up for each node in the tree the base sequence at that point and counts the changes. The program spends much of its time in this PROCEDURE */ long i; long ns, rs, ls; for (i = 0; i < (chars); i++) { ls = p->next->back->base2[i]; rs = p->next->next->back->base2[i]; ns = ls & rs; if (ns == 0) { ns = ls | rs; numsteps[i] += weight[i]; } p->base2[i] = ns; } } /* dnamove_fillin */ void dnamove_postorder(node *p) { /* traverses a binary tree, calling PROCEDURE fillin at a node's descendants before calling fillin at the node */ if (p->tip) return; dnamove_postorder(p->next->back); dnamove_postorder(p->next->next->back); dnamove_fillin(p); } /* dnamove_postorder */ void evaluate(node *r) { /* determines the number of steps needed for a tree. this is the minimum number of steps needed to evolve sequences on this tree */ long i, steps; double sum; compatible = 0; sum = 0.0; for (i = 0; i < (chars); i++) numsteps[i] = 0; dnamove_postorder(r); for (i = 0; i < (chars); i++) { steps = numsteps[i]; if (steps <= threshwt[i]) sum += steps; else sum += threshwt[i]; if (steps <= necsteps[i] && !earlytree) compatible += weight[i]; } like = -sum; /*printf("like: %f\n",like);*/ } /* evaluate */ void dnamove_reroot(node *outgroup) { /* reorients tree, putting outgroup in desired position. */ node *p, *q, *newbottom, *oldbottom; boolean onleft; if (outgroup->back->index == root->index) return; newbottom = outgroup->back; p = treenode[newbottom->index - 1]->back; while (p->index != root->index) { oldbottom = treenode[p->index - 1]; treenode[p->index - 1] = p; p = oldbottom->back; } onleft = (p == root->next); if (restoring) if (!onleft && wasleft){ p = root->next->next; q = root->next; } else { p = root->next; q = root->next->next; } else { if (onleft) oldoutgrno = root->next->next->back->index; else oldoutgrno = root->next->back->index; wasleft = onleft; p = root->next; q = root->next->next; } p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; if (restoring) { if (!onleft && wasleft) { outgroup->back->back = root->next; outgroup->back = root->next->next; } else { outgroup->back->back = root->next->next; outgroup->back = root->next; } } else { outgroup->back->back = root->next->next; outgroup->back = root->next; } treenode[newbottom->index - 1] = newbottom; } /* dnamove_reroot */ void dnamove_ancestset(long a, long b, long *c) { /* make the set of ancestral states below nodes whose base sets are a and b */ *c = a & b; if (*c == 0) *c = a | b; } /* dnamove_ancestset */ void firstrav(node *r, long i) { /* initial traverse for hypothetical states */ if (r->tip) return; firstrav(r->next->back, i); firstrav(r->next->next->back, i); dnamove_ancestset(r->next->back->base2[i - 1], r->next->next->back->base2[i - 1], &r->base2[i - 1]); } /* firstrav */ void dnamove_hyptrav(node *r, long *hypset, long i, boolean *bottom) { /* compute, print out state at one interior node */ long tempset, left, rt, anc; gbase2 *temparray, *ancset; dnamove_gnu(&ancset); dnamove_gnu(&temparray); anc = hypset[i - 1]; if (!r->tip) { left = r->next->back->base2[i - 1]; rt = r->next->next->back->base2[i - 1]; tempset = left & rt & anc; if (tempset == 0) { tempset = (left & rt) | (left & anc) | (rt & anc); if (tempset == 0) tempset = left | rt | anc; } r->base2[i - 1] = tempset; } r->state = '?'; if (r->base2[dispchar - 1] == 1L << ((long)A)) r->state = 'A'; if (r->base2[dispchar - 1] == 1L << ((long)C)) r->state = 'C'; if (r->base2[dispchar - 1] == 1L << ((long)G)) r->state = 'G'; if (r->base2[dispchar - 1] == 1L << ((long)T)) r->state = 'T'; *bottom = false; if (!r->tip) { memcpy(temparray->base2, r->next->back->base2, chars*sizeof(long)); dnamove_ancestset(hypset[i - 1], r->next->next->back->base2[i - 1], &ancset->base2[i - 1]); dnamove_hyptrav(r->next->back, ancset->base2, i,bottom); dnamove_ancestset(hypset[i - 1], temparray->base2[i - 1], &ancset->base2[i - 1]); dnamove_hyptrav(r->next->next->back, ancset->base2, i,bottom); } dnamove_chuck(temparray); dnamove_chuck(ancset); } /* dnamove_hyptrav */ void dnamove_hypstates() { /* fill in and describe states at interior nodes */ long i; boolean bottom; baseptr2 nothing; i = dispchar; nothing = (baseptr2)Malloc(chars*sizeof(long)); nothing[i - 1] = 0; bottom = true; firstrav(root, i); dnamove_hyptrav(root, nothing, i,&bottom); free(nothing); } /* dnamove_hypstates */ void grwrite(chartype c, long num, long *pos) { long i; prefix(c); for (i = 1; i <= num; i++) { if ((*pos) >= leftedge && (*pos) - leftedge + 1 < screenwidth) putchar(chh[(long)c]); (*pos)++; } postfix(c); } /* grwrite */ void dnamove_drawline(long i) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j, pos; boolean extra, done; Char st; chartype c, d; pos = 1; p = nuroot; q = nuroot; extra = false; if (i == p->ycoord && (p == root || subtree)) { extra = true; c = overt; if (display) { switch (p->state) { case 'A': c = aa; break; case 'C': c = cc; break; case 'G': c = gg; break; case 'T': c = tt; break; case '?': c = question; break; } } if ((subtree)) stwrite("Subtree:", 8, &pos, leftedge, screenwidth); if (p->index >= 100) nnwrite(p->index, 3, &pos, leftedge, screenwidth); else if (p->index >= 10) { grwrite(c, 1, &pos); nnwrite(p->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(p->index, 1, &pos, leftedge, screenwidth); } } else { if ((subtree)) stwrite(" ", 10, &pos, leftedge, screenwidth); else stwrite(" ", 2, &pos, leftedge, screenwidth); } do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = p->xcoord - q->xcoord; if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if (q->ycoord == i && !done) { if (q->ycoord > p->ycoord) d = upcorner; else d = downcorner; c = overt; if (display) { switch (q->state) { case 'A': c = aa; break; case 'C': c = cc; break; case 'G': c = gg; break; case 'T': c = tt; break; case '?': c = question; break; } d = c; } if (n > 1) { grwrite(d, 1, &pos); grwrite(c, n - 3, &pos); } if (q->index >= 100) nnwrite(q->index, 3, &pos, leftedge, screenwidth); else if (q->index >= 10) { grwrite(c, 1, &pos); nnwrite(q->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(q->index, 1, &pos, leftedge, screenwidth); } extra = true; } else if (!q->tip) { if (last->ycoord > i && first->ycoord < i && i != p->ycoord) { c = up; if (i < p->ycoord) st = p->next->back->state; else st = p->next->next->back->state; if (display) { switch (st) { case 'A': c = aa; break; case 'C': c = cc; break; case 'G': c = gg; break; case 'T': c = tt; break; case '?': c = question; break; } } grwrite(c, 1, &pos); chwrite(' ', n - 1, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); if (p != q) p = q; } while (!done); if (p->ycoord == i && p->tip) { n = 0; for (j = 1; j <= nmlngth; j++) { if (nayme[p->index - 1][j - 1] != '\0') n = j; } chwrite(':', 1, &pos, leftedge, screenwidth); for (j = 0; j < n; j++) chwrite(nayme[p->index - 1][j], 1, &pos, leftedge, screenwidth); } putchar('\n'); } /* dnamove_drawline */ void dnamove_printree() { /* prints out diagram of the tree */ long tipy; long i, dow; if (!subtree) nuroot = root; if (changed || newtree) evaluate(root); if (display) dnamove_hypstates(); printf((ansi || ibmpc) ? "\033[2J\033[H" : "\n"); tipy = 1; dow = down; if (spp * dow > screenlines && !subtree) dow--; printf("(unrooted)"); if (display) { printf(" "); makechar(aa); printf(":A "); makechar(cc); printf(":C "); makechar(gg); printf(":G "); makechar(tt); printf(":T "); makechar(question); printf(":?"); } else printf(" "); if (!earlytree) { printf("%10.1f Steps", -like); } if (display) printf(" SITE%4ld", dispchar); else printf(" "); if (!earlytree) { printf(" %3ld sites compatible\n", compatible); } printf(" "); if (changed && !earlytree) { if (-like < bestyet) { printf(" BEST YET!"); bestyet = -like; } else if (fabs(-like - bestyet) < 0.000001) printf(" (as good as best)"); else { if (-like < gotlike) printf(" better"); else if (-like > gotlike) printf(" worse!"); } } printf("\n"); farthest = 0; coordinates(nuroot, &tipy, 1.5, &farthest); vmargin = 4; treelines = tipy - dow; if (topedge != 1) { printf("** %ld lines above screen **\n", topedge - 1); vmargin++; } if ((treelines - topedge + 1) > (screenlines - vmargin)) vmargin++; for (i = 1; i <= treelines; i++) { if (i >= topedge && i < topedge + screenlines - vmargin) dnamove_drawline(i); } if ((treelines - topedge + 1) > (screenlines - vmargin)) { printf("** %ld", treelines - (topedge - 1 + screenlines - vmargin)); printf(" lines below screen **\n"); } if (treelines - topedge + vmargin + 1 < screenlines) putchar('\n'); gotlike = -like; changed = false; } /* dnamove_printree */ void arbitree() { long i; root = treenode[0]; dnamove_add(treenode[0], treenode[1], treenode[spp]); for (i = 3; i <= (spp); i++) dnamove_add(treenode[spp + i - 3], treenode[i - 1], treenode[spp + i - 2]); for (i = 0; i < (nonodes); i++) in_tree[i] = true; } /* arbitree */ void yourtree() { long i, j; boolean ok; root = treenode[0]; dnamove_add(treenode[0], treenode[1], treenode[spp]); i = 2; do { i++; dnamove_printree(); printf("Add species%3ld: ", i); for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); do { printf("\n before node (type number): "); inpnum(&j, &ok); ok = (ok && ((j >= 1 && j < i) || (j > spp && j < spp + i - 1))); if (!ok) printf("Impossible number. Please try again:\n"); } while (!ok); dnamove_add(treenode[j - 1], treenode[i - 1], treenode[spp + i - 2]); } while (i != spp); for (i = 0; i < (nonodes); i++) in_tree[i] = true; } /* yourtree */ void initdnamovenode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ /* LM 7/27 I added this function and the commented lines around */ /* treeread() to get the program running, but all 4 move programs*/ /* are improperly integrated into the v4.0 support files. As is */ /* endsite = chars and this is a patchwork function */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnutreenode(grbg, p, nodei, endsite, zeros); treenode[nodei - 1] = *p; break; case nonbottom: gnutreenode(grbg, p, nodei, endsite, zeros); break; case tip: match_names_to_data (str, treenode, p, spp); break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); /* process lengths and discard */ default: /*cases hslength,hsnolength,treewt,unittrwt,iter,*/ break; } } /* initdnamovenode */ void buildtree() { long i, nextnode; node *p; long j; changed = false; newtree = false; switch (how) { case arb: arbitree(); break; case use: openfile(&intree,intreename,"input tree file", "r",progname,intreename); names = (boolean *)Malloc(spp*sizeof(boolean)); firsttree = true; /**/ nodep = NULL; /**/ nextnode = 0; /**/ haslengths = 0; /**/ endsite = chars; /*debug*/ zeros = (long *)Malloc(endsite*sizeof(long)); /**/ for (i = 0; i < endsite; i++) /**/ zeros[i] = 0; /**/ treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdnamovenode); /*debug*/ for (i = spp; i < (nonodes); i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->base2 = (baseptr2)Malloc(chars*sizeof(long)); p = p->next; } } /* debug: see comment at initdnamovenode() */ for (i = 0; i < (spp); i++) in_tree[i] = names[i]; free(names); FClose(intree); break; case spec: yourtree(); break; } if (!outgropt) outgrno = root->next->back->index; if (outgropt && in_tree[outgrno - 1]) dnamove_reroot(treenode[outgrno - 1]); } /* buildtree */ void setorder() { /* sets in order of number of members */ sett[0] = 1L << ((long)A); sett[1] = 1L << ((long)C); sett[2] = 1L << ((long)G); sett[3] = 1L << ((long)T); sett[4] = 1L << ((long)O); sett[5] = (1L << ((long)A)) | (1L << ((long)C)); sett[6] = (1L << ((long)A)) | (1L << ((long)G)); sett[7] = (1L << ((long)A)) | (1L << ((long)T)); sett[8] = (1L << ((long)A)) | (1L << ((long)O)); sett[9] = (1L << ((long)C)) | (1L << ((long)G)); sett[10] = (1L << ((long)C)) | (1L << ((long)T)); sett[11] = (1L << ((long)C)) | (1L << ((long)O)); sett[12] = (1L << ((long)G)) | (1L << ((long)T)); sett[13] = (1L << ((long)G)) | (1L << ((long)O)); sett[14] = (1L << ((long)T)) | (1L << ((long)O)); sett[15] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)); sett[16] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)T)); sett[17] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)O)); sett[18] = (1L << ((long)A)) | (1L << ((long)G)) | (1L << ((long)T)); sett[19] = (1L << ((long)A)) | (1L << ((long)G)) | (1L << ((long)O)); sett[20] = (1L << ((long)A)) | (1L << ((long)T)) | (1L << ((long)O)); sett[21] = (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)); sett[22] = (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)O)); sett[23] = (1L << ((long)C)) | (1L << ((long)T)) | (1L << ((long)O)); sett[24] = (1L << ((long)G)) | (1L << ((long)T)) | (1L << ((long)O)); sett[25] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)); sett[26] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)O)); sett[27] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)T)) | (1L << ((long)O)); sett[28] = (1L << ((long)A)) | (1L << ((long)G)) | (1L << ((long)T)) | (1L << ((long)O)); sett[29] = (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)) | (1L << ((long)O)); sett[30] = (1L << ((long)A)) | (1L << ((long)C)) | (1L << ((long)G)) | (1L << ((long)T)) | (1L << ((long)O)); } /* setorder */ void mincomp() { /* computes for each site the minimum number of steps necessary to accomodate those species already in the analysis */ long i, j, k; boolean done; for (i = 0; i < (chars); i++) { done = false; j = 0; while (!done) { j++; done = true; k = 1; do { if (in_tree[k - 1]) done = (done && (treenode[k - 1]->base2[i] & sett[j - 1]) != 0); k++; } while (k <= spp && done); } if (j == 31) necsteps[i] = 4; if (j <= 30) necsteps[i] = 3; if (j <= 25) necsteps[i] = 2; if (j <= 15) necsteps[i] = 1; if (j <= 5) necsteps[i] = 0; necsteps[i] *= weight[i]; } } /* mincomp */ void rearrange() { long i, j; boolean ok1, ok2; node *p, *q; printf("Remove everything to the right of which node? "); inpnum(&i, &ok1); ok1 = (ok1 && i >= 1 && i < spp * 2 && i != root->index); if (ok1) { printf("Add before which node? "); inpnum(&j, &ok2); ok2 = (ok2 && j >= 1 && j < spp * 2); if (ok2) { ok2 = (treenode[j - 1] != treenode[treenode[i - 1]->back->index - 1]); p = treenode[j - 1]; while (p != root) { ok2 = (ok2 && p != treenode[i - 1]); p = treenode[p->back->index - 1]; } if (ok1 && ok2) { what = i; q = treenode[treenode[i - 1]->back->index - 1]; if (q->next->back->index == i) fromwhere = q->next->next->back->index; else fromwhere = q->next->back->index; towhere = j; dnamove_re_move(&treenode[i - 1], &q); dnamove_add(treenode[j - 1], treenode[i - 1], q); } lastop = rearr; } } changed = (ok1 && ok2); dnamove_printree(); if (!(ok1 && ok2)) printf("Not a possible rearrangement. Try again: \n"); else { oldwritten = written; written = false; } } /* rearrange */ void dnamove_nextinc() { /* show next incompatible site */ long disp0; boolean done; display = true; disp0 = dispchar; done = false; do { dispchar++; if (dispchar > chars) { dispchar = 1; done = (disp0 == 0); } } while (!(necsteps[dispchar - 1] != numsteps[dispchar - 1] || dispchar == disp0 || done)); dnamove_printree(); } /* dnamove_nextinc */ void dnamove_nextchar() { /* show next site */ display = true; dispchar++; if (dispchar > chars) dispchar = 1; dnamove_printree(); } /* dnamove_nextchar */ void dnamove_prevchar() { /* show previous site */ display = true; dispchar--; if (dispchar < 1) dispchar = chars; dnamove_printree(); } /* dnamove_prevchar */ void dnamove_show() { long i; boolean ok; do { printf("SHOW: (Character number or 0 to see none)? "); inpnum(&i, &ok); ok = (ok && (i == 0 || (i >= 1 && i <= chars))); if (ok && i != 0) { display = true; dispchar = i; } if (ok && i == 0) display = false; } while (!ok); dnamove_printree(); } /* dnamove_show */ void tryadd(node *p, node **item, node **nufork, double *place) { /* temporarily adds one fork and one tip to the tree. Records scores in ARRAY place */ dnamove_add(p, *item, *nufork); evaluate(root); place[p->index - 1] = -like; dnamove_re_move(item, nufork); } /* tryadd */ void addpreorder(node *p, node *item_, node *nufork_, double *place) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ node *item, *nufork; item = item_; nufork = nufork_; if (p == NULL) return; tryadd(p,&item,&nufork,place); if (!p->tip) { addpreorder(p->next->back, item,nufork,place); addpreorder(p->next->next->back,item,nufork,place); } } /* addpreorder */ void try() { /* Remove node, try it in all possible places */ double *place; long i, j, oldcompat; double current; node *q, *dummy, *rute; boolean tied, better, ok; printf("Try other positions for which node? "); inpnum(&i, &ok); if (!(ok && i >= 1 && i <= nonodes && i != root->index)) { printf("Not a possible choice! "); return; } printf("WAIT ...\n"); place = (double *)Malloc(nonodes*sizeof(double)); for (j = 0; j < (nonodes); j++) place[j] = -1.0; evaluate(root); current = -like; oldcompat = compatible; what = i; q = treenode[treenode[i - 1]->back->index - 1]; if (q->next->back->index == i) fromwhere = q->next->next->back->index; else fromwhere = q->next->back->index; rute = root; if (root == treenode[treenode[i - 1]->back->index - 1]) { if (treenode[treenode[i - 1]->back->index - 1]->next->back == treenode[i - 1]) rute = treenode[treenode[i - 1]->back->index - 1]->next->next->back; else rute = treenode[treenode[i - 1]->back->index - 1]->next->back; } dnamove_re_move(&treenode[i - 1], &dummy); oldleft = wasleft; root = rute; addpreorder(root, treenode[i - 1], dummy, place); wasleft = oldleft; restoring = true; dnamove_add(treenode[fromwhere - 1], treenode[what - 1], q); like = -current; compatible = oldcompat; restoring = false; better = false; printf(" BETTER: "); for (j = 1; j <= (nonodes); j++) { if (place[j - 1] < current && place[j - 1] >= 0.0) { printf("%3ld:%6.2f", j, place[j - 1]); better = true; } } if (!better) printf(" NONE"); printf("\n TIED: "); tied = false; for (j = 1; j <= (nonodes); j++) { if (fabs(place[j - 1] - current) < 1.0e-6 && j != fromwhere) { if (j < 10) printf("%2ld", j); else printf("%3ld", j); tied = true; } } if (tied) printf(":%6.2f\n", current); else printf("NONE\n"); changed = true; free(place); } /* try */ void undo() { /* restore to tree before last rearrangement */ long temp; boolean btemp; node *q; switch (lastop) { case rearr: restoring = true; oldleft = wasleft; dnamove_re_move(&treenode[what - 1], &q); btemp = wasleft; wasleft = oldleft; dnamove_add(treenode[fromwhere - 1], treenode[what - 1],q); wasleft = btemp; restoring = false; temp = fromwhere; fromwhere = towhere; towhere = temp; changed = true; break; case flipp: q = treenode[atwhat - 1]->next->back; treenode[atwhat - 1]->next->back =treenode[atwhat - 1]->next->next->back; treenode[atwhat - 1]->next->next->back = q; treenode[atwhat - 1]->next->back->back = treenode[atwhat - 1]->next; treenode[atwhat - 1]->next->next->back->back = treenode[atwhat - 1]->next->next; break; case reroott: restoring = true; temp =oldoutgrno; oldoutgrno = outgrno; outgrno = temp; dnamove_reroot(treenode[outgrno - 1]); restoring = false; break; case none: /* blank case */ break; } dnamove_printree(); if (lastop == none) { printf("No operation to undo! "); return; } btemp = oldwritten; oldwritten = written; written = btemp; } /* undo */ void treewrite(boolean done) { /* write out tree to a file */ Char ch; treeoptions(waswritten, &ch, &outtree, outtreename, progname); if (!done) dnamove_printree(); if (waswritten && ch != 'A' && ch != 'R') return; col = 0; treeout(root, 1, &col, root); printf("\nTree written to file \"%s\"\n\n", outtreename); waswritten = true; written = true; FClose(outtree); #ifdef MAC fixmacfile(outtreename); #endif } /* treewrite */ void clade() { /* pick a subtree and show only that on screen */ long i; boolean ok; printf("Select subtree rooted at which node (0 for whole tree)? "); inpnum(&i, &ok); ok = (ok && ((unsigned)i) <= ((unsigned)nonodes)); if (ok) { subtree = (i > 0); if (subtree) nuroot = treenode[i - 1]; else nuroot = root; } dnamove_printree(); if (!ok) printf("Not possible to use this node. "); } /* clade */ void flip() { /* flip at a node left-right */ long i; boolean ok; node *p; printf("Flip branches at which node? "); inpnum(&i, &ok); ok = (ok && i > spp && i <= nonodes); if (ok) { p = treenode[i - 1]->next->back; treenode[i - 1]->next->back = treenode[i - 1]->next->next->back; treenode[i - 1]->next->next->back = p; treenode[i - 1]->next->back->back = treenode[i - 1]->next; treenode[i - 1]->next->next->back->back = treenode[i - 1]->next->next; atwhat = i; lastop = flipp; } dnamove_printree(); if (ok) { oldwritten = written; written = false; return; } if (i >= 1 && i <= spp) printf("Can't flip there. "); else printf("No such node. "); } /* flip */ void changeoutgroup() { long i; boolean ok; oldoutgrno = outgrno; do { printf("Which node should be the new outgroup? "); inpnum(&i, &ok); ok = (ok && in_tree[i - 1] && i >= 1 && i <= nonodes && i != root->index); if (ok) outgrno = i; } while (!ok); if (in_tree[outgrno - 1]) dnamove_reroot(treenode[outgrno - 1]); changed = true; lastop = reroott; dnamove_printree(); oldwritten = written; written = false; } /* changeoutgroup */ void redisplay() { boolean done = false; waswritten = false; do { printf("NEXT? (Options: R # + - S . T U W O F H J K L C ? X Q) "); printf("(? for Help) "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (strchr("HJKLCFORSTUXQ+#-.W?",ch) != NULL){ switch (ch) { case 'R': rearrange(); break; case '#': dnamove_nextinc(); break; case '+': dnamove_nextchar(); break; case '-': dnamove_prevchar(); break; case 'S': dnamove_show(); break; case '.': dnamove_printree(); break; case 'T': try(); break; case 'U': undo(); break; case 'W': treewrite(done); break; case 'O': changeoutgroup(); break; case 'F': flip(); break; case 'H': window(left, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dnamove_printree(); break; case 'J': window(downn, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dnamove_printree(); break; case 'K': window(upp, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dnamove_printree(); break; case 'L': window(right, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dnamove_printree(); break; case 'C': clade(); break; case '?': help("site"); dnamove_printree(); break; case 'X': done = true; break; case 'Q': done = true; break; } } } while (!done); if (written) return; do { printf("Do you want to write out the tree to a file? (Y or N) "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == 'Y' || ch == 'y') treewrite(done); } while (ch != 'Y' && ch != 'y' && ch != 'N' && ch != 'n'); } /* redisplay */ void treeconstruct() { /* constructs a binary tree from the pointers in treenode. */ restoring = false; subtree = false; display = false; dispchar = 0; earlytree = true; waswritten = false; buildtree(); printf("\nComputing steps needed for compatibility in sites ...\n\n"); setorder(); mincomp(); newtree = true; earlytree = false; dnamove_printree(); bestyet = -like; gotlike = -like; lastop = none; newtree = false; written = false; redisplay(); } /* treeconstruct */ int main(int argc, Char *argv[]) { /* Interactive DNA parsimony */ /* reads in spp, chars, and the data. Then calls treeconstruct to construct the tree and query the user */ #ifdef MAC argc = 1; /* macsetup("Dnamove",""); */ argv[0] = "Dnamove"; #endif init(argc, argv); progname = argv[0]; strcpy(infilename,INFILE); strcpy(intreename,INTREE); strcpy(outtreename,OUTTREE); openfile(&infile,infilename,"input file", "r",argv[0],infilename); openfile(&outtree,outtreename,"output file", "w",argv[0],outtreename); garbage = NULL; screenlines = 24; scrollinc = 20; screenwidth = 80; topedge = 1; leftedge = 1; ibmpc = IBMCRT; ansi = ANSICRT; doinput(); configure(); treeconstruct(); FClose(infile); FClose(outtree); #ifdef MAC fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Interactive DNA parsimony */ ./arbsrc_9167/GDE/PHYLIP/dnapars.c0000644012664100000130000013617211213220011016330 0ustar arb_buildcoders#include "phylip.h" #include "seq.h" /* version 3.6 (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define MAXNUMTREES 1000000 /* bigger than number of user trees can be */ extern sequence y; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void reallocchars(void); void doinit(void); void makeweights(void); void doinput(void); void initdnaparsnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void evaluate(node *); void tryadd(node *, node *, node *); void addpreorder(node *, node *, node *); void trydescendants(node *, node *, node *, node *, boolean); void trylocal(node *, node *); void trylocal2(node *, node *, node *); void tryrearr(node *, boolean *); void repreorder(node *, boolean *); void rearrange(node **); void describe(void); void dnapars_coordinates(node *, double, long *, double *); void dnapars_printree(void); void globrearrange(void); void grandrearr(void); void maketree(void); void freerest(void); void load_tree(long treei); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH]; char basechar[32]="ACMGRSVTWYHKDBNO???????????????"; node *root; long chars, col, msets, ith, njumble, jumb, maxtrees; /* chars = number of sites in actual sequences */ long inseed, inseed0; double threshold; boolean jumble, usertree, thresh, weights, thorough, rearrfirst, trout, progress, stepbox, ancseq, mulsets, justwts, firstset, mulf, multf; steptr oldweight; longer seed; pointarray treenode; /* pointers to all nodes in tree */ long *enterorder; long *zeros; /* local variables for Pascal maketree, propagated globally for C version: */ long minwhich; double like, minsteps, bestyet, bestlike, bstlike2; boolean lastrearr, recompute; double nsteps[maxuser]; long **fsteps; node *there, *oldnufork; long *place; bestelm *bestrees; long *threshwt; baseptr nothing; gbases *garbage; node *temp, *temp1, *temp2, *tempsum, *temprm, *tempadd, *tempf, *tmp, *tmp1, *tmp2, *tmp3, *tmprm, *tmpadd; boolean *names; node *grbg; char *progname; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nDNA parsimony algorithm, version %s\n\n",VERSION); jumble = false; njumble = 1; outgrno = 1; outgropt = false; thresh = false; thorough = true; transvp = false; rearrfirst = false; maxtrees = 10000; trout = true; usertree = false; weights = false; mulsets = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; dotdiff = true; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nDNA parsimony algorithm, version %s\n\n",VERSION); printf("Setting for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (!usertree) { printf(" S Search option? "); if (thorough) printf("More thorough search\n"); else if (rearrfirst) printf("Rearrange on one best tree\n"); else printf("Less thorough\n"); printf(" V Number of trees to save? %ld\n", maxtrees); printf(" J Randomize input order of sequences?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at sequence number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per site\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" N Use Transversion parsimony?"); if (transvp) printf(" Yes, count only transversions\n"); else printf(" No, count all steps\n"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", progress ? "Yes" : "No"); printf(" 3 Print out tree %s\n", treeprint ? "Yes" : "No"); printf(" 4 Print out steps in each site %s\n", stepbox ? "Yes" : "No"); printf(" 5 Print sequences at all nodes of tree %s\n", ancseq ? "Yes" : "No"); if (ancseq || printdata) printf(" . Use dot-differencing to display them %s\n", dotdiff ? "Yes" : "No"); printf(" 6 Write out trees onto tree file? %s\n", trout ? "Yes" : "No"); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("WSVJOTNUMI12345.60",ch) != NULL){ switch (ch) { case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'N': transvp = !transvp; break; case 'W': weights = !weights; break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'U': usertree = !usertree; break; case 'S': thorough = !thorough; if (!thorough) printf("Rearrange on just one best tree?"); loopcount2 = 0; do { printf(" (type Y or N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'Y') && (ch2 != 'N')); rearrfirst = (ch2 == 'Y'); break; case 'V': loopcount2 = 0; do { printf("type the number of trees to save\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &maxtrees); if (maxtrees > MAXNUMTREES) maxtrees = MAXNUMTREES; getchar(); countup(&loopcount2, 10); } while (maxtrees < 1); break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '.': dotdiff = !dotdiff; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } if (transvp) fprintf(outfile, "Transversion parsimony\n\n"); } /* getoptions */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(chars*sizeof(Char)); bestrees = (bestelm *)Malloc(maxtrees*sizeof(bestelm)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1].btree = (long *)Malloc(nonodes*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); place = (long *)Malloc(nonodes*sizeof(long)); weight = (long *)Malloc(chars*sizeof(long)); oldweight = (long *)Malloc(chars*sizeof(long)); alias = (long *)Malloc(chars*sizeof(long)); ally = (long *)Malloc(chars*sizeof(long)); location = (long *)Malloc(chars*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n\n", spp, chars); alloctree(&treenode, nonodes, usertree); } /* doinit */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= chars; i++) { alias[i - 1] = i; oldweight[i - 1] = weight[i - 1]; ally[i - 1] = i; } sitesort(chars, weight); sitecombine(chars); sitescrunch(chars); endsite = 0; for (i = 1; i <= chars; i++) { if (ally[i - 1] == i) endsite++; } for (i = 1; i <= endsite; i++) location[alias[i - 1] - 1] = i; if (!thresh) threshold = spp; threshwt = (long *)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) { weight[i] *= 10; threshwt[i] = (long)(threshold * weight[i] + 0.5); } zeros = (long *)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) zeros[i] = 0; } /* makeweights */ void doinput() { /* reads the input data */ long i; if (justwts) { if (firstset) inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; inputweights(chars, weight, &weights); if (justwts) { fprintf(outfile, "\n\nWeights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } else { if (!firstset){ samenumsp(&chars, ith); reallocchars(); } inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; if (weights) { inputweights(chars, weight, &weights); if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } } makeweights(); makevalues(treenode, zeros, usertree); if (!usertree) { allocnode(&temp, zeros, endsite); allocnode(&temp1, zeros, endsite); allocnode(&temp2, zeros, endsite); allocnode(&tempsum, zeros, endsite); allocnode(&temprm, zeros, endsite); allocnode(&tempadd, zeros, endsite); allocnode(&tempf, zeros, endsite); allocnode(&tmp, zeros, endsite); allocnode(&tmp1, zeros, endsite); allocnode(&tmp2, zeros, endsite); allocnode(&tmp3, zeros, endsite); allocnode(&tmprm, zeros, endsite); allocnode(&tmpadd, zeros, endsite); } } /* doinput */ void initdnaparsnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnutreenode(grbg, p, nodei, endsite, zeros); treenode[nodei - 1] = *p; break; case nonbottom: gnutreenode(grbg, p, nodei, endsite, zeros); break; case tip: match_names_to_data (str, treenode, p, spp); break; case length: /* if there is a length, read it and discard value */ processlength(&valyew, &divisor, ch, &minusread, intree, parens); break; default: /*cases hslength,hsnolength,treewt,unittrwt,iter,*/ break; } } /* initdnaparsnode */ void evaluate(node *r) { /* determines the number of steps needed for a tree. this is the minimum number of steps needed to evolve sequences on this tree */ long i, steps; long term; double sum; sum = 0.0; for (i = 0; i < endsite; i++) { steps = r->numsteps[i]; if ((long)steps <= threshwt[i]) term = steps; else term = threshwt[i]; sum += (double)term; if (usertree && which <= maxuser) fsteps[which - 1][i] = term; } if (usertree && which <= maxuser) { nsteps[which - 1] = sum; if (which == 1) { minwhich = 1; minsteps = sum; } else if (sum < minsteps) { minwhich = which; minsteps = sum; } } like = -sum; } /* evaluate */ void tryadd(node *p, node *item, node *nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ long pos; double belowsum, parentsum; boolean found, collapse, changethere, trysave; if (!p->tip) { memcpy(temp->base, p->base, endsite*sizeof(long)); memcpy(temp->numsteps, p->numsteps, endsite*sizeof(long)); memcpy(temp->numnuc, p->numnuc, endsite*sizeof(nucarray)); temp->numdesc = p->numdesc + 1; if (p->back) { multifillin(temp, tempadd, 1); sumnsteps2(tempsum, temp, p->back, 0, endsite, threshwt); } else { multisumnsteps(temp, tempadd, 0, endsite, threshwt); tempsum->sumsteps = temp->sumsteps; } if (tempsum->sumsteps <= -bestyet) { if (p->back) sumnsteps2(tempsum, temp, p->back, endsite+1, endsite, threshwt); else { multisumnsteps(temp, temp1, endsite+1, endsite, threshwt); tempsum->sumsteps = temp->sumsteps; } } p->sumsteps = tempsum->sumsteps; } if (p == root) sumnsteps2(temp, item, p, 0, endsite, threshwt); else { sumnsteps(temp1, item, p, 0, endsite); sumnsteps2(temp, temp1, p->back, 0, endsite, threshwt); } if (temp->sumsteps <= -bestyet) { if (p == root) sumnsteps2(temp, item, p, endsite+1, endsite, threshwt); else { sumnsteps(temp1, item, p, endsite+1, endsite); sumnsteps2(temp, temp1, p->back, endsite+1, endsite, threshwt); } } belowsum = temp->sumsteps; multf = false; like = -belowsum; if (!p->tip && belowsum >= p->sumsteps) { multf = true; like = -p->sumsteps; } trysave = true; if (!multf && p != root) { parentsum = treenode[p->back->index - 1]->sumsteps; if (belowsum >= parentsum) trysave = false; } if (lastrearr) { changethere = true; if (like >= bstlike2 && trysave) { if (like > bstlike2) found = false; else { addnsave(p, item, nufork, &root, &grbg, multf, treenode, place, zeros); pos = 0; findtree(&found, &pos, nextree, place, bestrees); } if (!found) { collapse = collapsible(item, p, temp, temp1, temp2, tempsum, temprm, tmpadd, multf, root, zeros, treenode); if (!thorough) changethere = !collapse; if (thorough || !collapse || like > bstlike2) { if (like > bstlike2) { addnsave(p, item, nufork, &root, &grbg, multf, treenode, place, zeros); bestlike = bstlike2 = like; addbestever(&pos, &nextree, maxtrees, collapse, place, bestrees); } else addtiedtree(pos, &nextree, maxtrees, collapse, place, bestrees); } } } if (like >= bestyet) { if (like > bstlike2) bstlike2 = like; if (changethere && trysave) { bestyet = like; there = p; mulf = multf; } } } else if ((like > bestyet) || (like >= bestyet && trysave)) { bestyet = like; there = p; mulf = multf; } } /* tryadd */ void addpreorder(node *p, node *item, node *nufork) { /* traverses a n-ary tree, calling function tryadd at a node before calling tryadd at its descendants */ node *q; if (p == NULL) return; tryadd(p, item, nufork); if (!p->tip) { q = p->next; while (q != p) { addpreorder(q->back, item, nufork); q = q->next; } } } /* addpreorder */ void trydescendants(node *item, node *forknode, node *parent, node *parentback, boolean trybelow) { /* tries rearrangements at parent and below parent's descendants */ node *q, *tempblw; boolean bestever=0, belowbetter, multf=0, saved, trysave; double parentsum=0, belowsum; memcpy(temp->base, parent->base, endsite*sizeof(long)); memcpy(temp->numsteps, parent->numsteps, endsite*sizeof(long)); memcpy(temp->numnuc, parent->numnuc, endsite*sizeof(nucarray)); temp->numdesc = parent->numdesc + 1; multifillin(temp, tempadd, 1); sumnsteps2(tempsum, parentback, temp, 0, endsite, threshwt); belowbetter = true; if (lastrearr) { parentsum = tempsum->sumsteps; if (-tempsum->sumsteps >= bstlike2) { belowbetter = false; bestever = false; multf = true; if (-tempsum->sumsteps > bstlike2) bestever = true; savelocrearr(item, forknode, parent, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = parent; mulf = true; } } } else if (-tempsum->sumsteps >= like) { there = parent; mulf = true; like = -tempsum->sumsteps; } if (trybelow) { sumnsteps(temp, parent, tempadd, 0, endsite); sumnsteps2(tempsum, temp, parentback, 0, endsite, threshwt); if (lastrearr) { belowsum = tempsum->sumsteps; if (-tempsum->sumsteps >= bstlike2 && belowbetter && (forknode->numdesc > 2 || (forknode->numdesc == 2 && parent->back->index != forknode->index))) { trysave = false; memcpy(temp->base, parentback->base, endsite*sizeof(long)); memcpy(temp->numsteps, parentback->numsteps, endsite*sizeof(long)); memcpy(temp->numnuc, parentback->numnuc, endsite*sizeof(nucarray)); temp->numdesc = parentback->numdesc + 1; multifillin(temp, tempadd, 1); sumnsteps2(tempsum, parent, temp, 0, endsite, threshwt); if (-tempsum->sumsteps < bstlike2) { multf = false; bestever = false; trysave = true; } if (-belowsum > bstlike2) { multf = false; bestever = true; trysave = true; } if (trysave) { if (treenode[parent->index - 1] != parent) tempblw = parent->back; else tempblw = parent; savelocrearr(item, forknode, tempblw, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -belowsum; there = tempblw; mulf = false; } } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { if (treenode[parent->index - 1] != parent) tempblw = parent->back; else tempblw = parent; there = tempblw; mulf = false; } } } q = parent->next; while (q != parent) { if (q->back && q->back != item) { memcpy(temp1->base, q->base, endsite*sizeof(long)); memcpy(temp1->numsteps, q->numsteps, endsite*sizeof(long)); memcpy(temp1->numnuc, q->numnuc, endsite*sizeof(nucarray)); temp1->numdesc = q->numdesc; multifillin(temp1, parentback, 0); if (lastrearr) belowbetter = (-parentsum < bstlike2); if (!q->back->tip) { memcpy(temp->base, q->back->base, endsite*sizeof(long)); memcpy(temp->numsteps, q->back->numsteps, endsite*sizeof(long)); memcpy(temp->numnuc, q->back->numnuc, endsite*sizeof(nucarray)); temp->numdesc = q->back->numdesc + 1; multifillin(temp, tempadd, 1); sumnsteps2(tempsum, temp1, temp, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { belowbetter = false; bestever = false; multf = true; if (-tempsum->sumsteps > bstlike2) bestever = true; savelocrearr(item, forknode, q->back, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = q->back; mulf = true; } } } else if (-tempsum->sumsteps >= like) { like = -tempsum->sumsteps; there = q->back; mulf = true; } } sumnsteps(temp, q->back, tempadd, 0, endsite); sumnsteps2(tempsum, temp, temp1, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { trysave = false; multf = false; if (belowbetter) { bestever = false; trysave = true; } if (-tempsum->sumsteps > bstlike2) { bestever = true; trysave = true; } if (trysave) { if (treenode[q->back->index - 1] != q->back) tempblw = q; else tempblw = q->back; savelocrearr(item, forknode, tempblw, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = tempblw; mulf = false; } } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { if (treenode[q->back->index - 1] != q->back) tempblw = q; else tempblw = q->back; there = tempblw; mulf = false; } } } q = q->next; } } /* trydescendants */ void trylocal(node *item, node *forknode) { /* rearranges below forknode, below descendants of forknode when there are more than 2 descendants, then unroots the back of forknode and rearranges on its descendants */ node *q; boolean bestever, multf, saved; memcpy(temprm->base, zeros, endsite*sizeof(long)); memcpy(temprm->numsteps, zeros, endsite*sizeof(long)); memcpy(temprm->oldbase, item->base, endsite*sizeof(long)); memcpy(temprm->oldnumsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempf->base, forknode->base, endsite*sizeof(long)); memcpy(tempf->numsteps, forknode->numsteps, endsite*sizeof(long)); memcpy(tempf->numnuc, forknode->numnuc, endsite*sizeof(nucarray)); tempf->numdesc = forknode->numdesc - 1; multifillin(tempf, temprm, -1); if (!forknode->back) { sumnsteps2(tempsum, tempf, tempadd, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps > bstlike2) { bestever = true; multf = false; savelocrearr(item, forknode, forknode, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = forknode; mulf = false; } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = forknode; mulf = false; } } } else { sumnsteps(temp, tempf, tempadd, 0, endsite); sumnsteps2(tempsum, temp, forknode->back, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps > bstlike2) { bestever = true; multf = false; savelocrearr(item, forknode, forknode, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = forknode; mulf = false; } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = forknode; mulf = false; } } trydescendants(item, forknode, forknode->back, tempf, false); } q = forknode->next; while (q != forknode) { if (q->back != item) { memcpy(temp2->base, q->base, endsite*sizeof(long)); memcpy(temp2->numsteps, q->numsteps, endsite*sizeof(long)); memcpy(temp2->numnuc, q->numnuc, endsite*sizeof(nucarray)); temp2->numdesc = q->numdesc - 1; multifillin(temp2, temprm, -1); if (!q->back->tip) { trydescendants(item, forknode, q->back, temp2, true); } else { sumnsteps(temp1, q->back, tempadd, 0, endsite); sumnsteps2(tempsum, temp1, temp2, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps > bstlike2) { multf = false; bestever = true; savelocrearr(item, forknode, q->back, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = q->back; mulf = false; } } } else if ((-tempsum->sumsteps) > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = q->back; mulf = false; } } } } q = q->next; } } /* trylocal */ void trylocal2(node *item, node *forknode, node *other) { /* rearranges below forknode, below descendants of forknode when there are more than 2 descendants, then unroots the back of forknode and rearranges on its descendants. Used if forknode has binary descendants */ node *q; boolean bestever=0, multf, saved, belowbetter, trysave; memcpy(tempf->base, other->base, endsite*sizeof(long)); memcpy(tempf->numsteps, other->numsteps, endsite*sizeof(long)); memcpy(tempf->oldbase, forknode->base, endsite*sizeof(long)); memcpy(tempf->oldnumsteps, forknode->numsteps, endsite*sizeof(long)); tempf->numdesc = other->numdesc; if (forknode->back) trydescendants(item, forknode, forknode->back, tempf, false); if (!other->tip) { memcpy(temp->base, other->base, endsite*sizeof(long)); memcpy(temp->numsteps, other->numsteps, endsite*sizeof(long)); memcpy(temp->numnuc, other->numnuc, endsite*sizeof(nucarray)); temp->numdesc = other->numdesc + 1; multifillin(temp, tempadd, 1); if (forknode->back) sumnsteps2(tempsum, forknode->back, temp, 0, endsite, threshwt); else sumnsteps2(tempsum, NULL, temp, 0, endsite, threshwt); belowbetter = true; if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { belowbetter = false; bestever = false; multf = true; if (-tempsum->sumsteps > bstlike2) bestever = true; savelocrearr(item, forknode, other, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = other; mulf = true; } } } else if (-tempsum->sumsteps >= like) { there = other; mulf = true; like = -tempsum->sumsteps; } if (forknode->back) { memcpy(temprm->base, forknode->back->base, endsite*sizeof(long)); memcpy(temprm->numsteps, forknode->back->numsteps, endsite*sizeof(long)); } else { memcpy(temprm->base, zeros, endsite*sizeof(long)); memcpy(temprm->numsteps, zeros, endsite*sizeof(long)); } memcpy(temprm->oldbase, other->back->base, endsite*sizeof(long)); memcpy(temprm->oldnumsteps, other->back->numsteps, endsite*sizeof(long)); q = other->next; while (q != other) { memcpy(temp2->base, q->base, endsite*sizeof(long)); memcpy(temp2->numsteps, q->numsteps, endsite*sizeof(long)); memcpy(temp2->numnuc, q->numnuc, endsite*sizeof(nucarray)); if (forknode->back) { temp2->numdesc = q->numdesc; multifillin(temp2, temprm, 0); } else { temp2->numdesc = q->numdesc - 1; multifillin(temp2, temprm, -1); } if (!q->back->tip) trydescendants(item, forknode, q->back, temp2, true); else { sumnsteps(temp1, q->back, tempadd, 0, endsite); sumnsteps2(tempsum, temp1, temp2, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { trysave = false; multf = false; if (belowbetter) { bestever = false; trysave = true; } if (-tempsum->sumsteps > bstlike2) { bestever = true; trysave = true; } if (trysave) { savelocrearr(item, forknode, q->back, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = q->back; mulf = false; } } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = q->back; mulf = false; } } } q = q->next; } } } /* trylocal2 */ void tryrearr(node *p, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success = TRUE and keeps the new tree. otherwise, restores the old tree */ node *forknode, *newfork, *other, *oldthere; double oldlike; boolean oldmulf; if (p->back == NULL) return; forknode = treenode[p->back->index - 1]; if (!forknode->back && forknode->numdesc <= 2 && alltips(forknode, p)) return; oldlike = bestyet; like = -10.0 * spp * chars; memcpy(tempadd->base, p->base, endsite*sizeof(long)); memcpy(tempadd->numsteps, p->numsteps, endsite*sizeof(long)); memcpy(tempadd->oldbase, zeros, endsite*sizeof(long)); memcpy(tempadd->oldnumsteps, zeros, endsite*sizeof(long)); if (forknode->numdesc > 2) { oldthere = there = forknode; oldmulf = mulf = true; trylocal(p, forknode); } else { findbelow(&other, p, forknode); oldthere = there = other; oldmulf = mulf = false; trylocal2(p, forknode, other); } if ((like <= oldlike) || (there == oldthere && mulf == oldmulf)) return; recompute = true; re_move(p, &forknode, &root, recompute, treenode, &grbg, zeros); if (mulf) add(there, p, NULL, &root, recompute, treenode, &grbg, zeros); else { if (forknode->numdesc > 0) getnufork(&newfork, &grbg, treenode, zeros); else newfork = forknode; add(there, p, newfork, &root, recompute, treenode, &grbg, zeros); } if (like > oldlike) { *success = true; bestyet = like; } } /* tryrearr */ void repreorder(node *p, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ node *q, *this; if (p == NULL) return; if (!p->visited) { tryrearr(p, success); p->visited = true; } if (!p->tip) { q = p; while (q->next != p) { this = q->next->back; repreorder(q->next->back,success); if (q->next->back == this) q = q->next; } } } /* repreorder */ void rearrange(node **r) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ boolean success=true; while (success) { success = false; clearvisited(treenode); repreorder(*r, &success); } } /* rearrange */ void describe() { /* prints ancestors, steps and table of numbers of steps in each site */ if (treeprint) { fprintf(outfile, "\nrequires a total of %10.3f\n", like / -10.0); fprintf(outfile, "\n between and length\n"); fprintf(outfile, " ------- --- ------\n"); printbranchlengths(root); } if (stepbox) writesteps(chars, weights, oldweight, root); if (ancseq) { hypstates(chars, root, treenode, &garbage, basechar); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout3(root, nextree, &col, root); } } /* describe */ void dnapars_coordinates(node *p, double lengthsum, long *tipy, double *tipmax) { /* establishes coordinates of nodes */ node *q, *first, *last; double xx; if (p == NULL) return; if (p->tip) { p->xcoord = (long)(over * lengthsum + 0.5); p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; return; } q = p->next; do { xx = q->v; if (xx > 100.0) xx = 100.0; dnapars_coordinates(q->back, lengthsum + xx, tipy,tipmax); q = q->next; } while (p != q); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (long)(over * lengthsum + 0.5); if ((p == root) || count_sibs(p) > 2) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* dnapars_coordinates */ void dnapars_printree() { /* prints out diagram of the tree2 */ long tipy; double scale, tipmax; long i; if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; dnapars_coordinates(root, 0.0, &tipy, &tipmax); scale = 1.0 / (long)(tipmax + 1.000); for (i = 1; i <= (tipy - down); i++) drawline3(i, scale, root); putc('\n', outfile); } /* dnapars_printree */ void globrearrange() { /* does global rearrangements */ long j; double gotlike; boolean frommulti; node *item, *nufork; recompute = true; do { printf(" "); gotlike = bstlike2 = bestlike; for (j = 0; j < nonodes; j++) { bestyet = -10.0 * spp * chars; if (j < spp) item = treenode[enterorder[j] -1]; else item = treenode[j]; if ((item != root) && ((j < spp) || ((j >= spp) && (item->numdesc > 0))) && !((item->back->index == root->index) && (root->numdesc == 2) && alltips(root, item))) { re_move(item, &nufork, &root, recompute, treenode, &grbg, zeros); frommulti = (nufork->numdesc > 0); clearcollapse(treenode); there = root; memcpy(tempadd->base, item->base, endsite*sizeof(long)); memcpy(tempadd->numsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempadd->oldbase, zeros, endsite*sizeof(long)); memcpy(tempadd->oldnumsteps, zeros, endsite*sizeof(long)); if (frommulti){ oldnufork = nufork; getnufork(&nufork, &grbg, treenode, zeros); } addpreorder(root, item, nufork); if (frommulti) oldnufork = NULL; if (!mulf) add(there, item, nufork, &root, recompute, treenode, &grbg, zeros); else add(there, item, NULL, &root, recompute, treenode, &grbg, zeros); } if (progress) { if (j % ((nonodes / 72) + 1) == 0) putchar('.'); fflush(stdout); } } if (progress) { putchar('\n'); #ifdef WIN32 phyFillScreenColor(); #endif } } while (bestlike > gotlike); } /* globrearrange */ void load_tree(long treei) { /* restores a tree from bestrees */ long j, nextnode; boolean recompute = false; node *dummy; for (j = spp - 1; j >= 1; j--) re_move(treenode[j], &dummy, &root, recompute, treenode, &grbg, zeros); root = treenode[0]; recompute = true; add(treenode[0], treenode[1], treenode[spp], &root, recompute, treenode, &grbg, zeros); nextnode = spp + 2; for (j = 3; j <= spp; j++) { if (bestrees[treei].btree[j - 1] > 0) add(treenode[bestrees[treei].btree[j - 1] - 1], treenode[j - 1], treenode[nextnode++ - 1], &root, recompute, treenode, &grbg, zeros); else add(treenode[treenode[-bestrees[treei].btree[j-1]-1]->back->index-1], treenode[j - 1], NULL, &root, recompute, treenode, &grbg, zeros); } } void grandrearr() { /* calls global rearrangement on best trees */ long treei; boolean done; done = false; do { treei = findunrearranged(bestrees, nextree, true); if (treei < 0) done = true; else bestrees[treei].gloreange = true; if (!done) { load_tree(treei); globrearrange(); done = rearrfirst; } } while (!done); } /* grandrearr */ void maketree() { /* constructs a binary tree from the pointers in treenode. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, numtrees, nextnode; boolean done, firsttree, goteof, haslengths; node *item, *nufork, *dummy; pointarray nodep; if (!usertree) { for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); recompute = true; root = treenode[enterorder[0] - 1]; add(treenode[enterorder[0] - 1], treenode[enterorder[1] - 1], treenode[spp], &root, recompute, treenode, &grbg, zeros); if (progress) { printf("Adding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = false; oldnufork = NULL; for (i = 3; i <= spp; i++) { bestyet = -10.0 * spp * chars; item = treenode[enterorder[i - 1] - 1]; getnufork(&nufork, &grbg, treenode, zeros); there = root; memcpy(tempadd->base, item->base, endsite*sizeof(long)); memcpy(tempadd->numsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempadd->oldbase, zeros, endsite*sizeof(long)); memcpy(tempadd->oldnumsteps, zeros, endsite*sizeof(long)); addpreorder(root, item, nufork); if (!mulf) add(there, item, nufork, &root, recompute, treenode, &grbg, zeros); else add(there, item, NULL, &root, recompute, treenode, &grbg, zeros); like = bestyet; rearrange(&root); if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = (i == spp); if (lastrearr) { bestlike = bestyet; if (jumb == 1) { bstlike2 = bestlike; nextree = 1; initbestrees(bestrees, maxtrees, true); initbestrees(bestrees, maxtrees, false); } if (progress) { printf("\nDoing global rearrangements"); if (rearrfirst) printf(" on the first of the trees tied for best\n"); else printf(" on all trees tied for best\n"); printf(" !"); for (j = 0; j < nonodes; j++) if (j % ((nonodes / 72) + 1) == 0) putchar('-'); printf("!\n"); #ifdef WIN32 phyFillScreenColor(); #endif } globrearrange(); } } done = false; while (!done && findunrearranged(bestrees, nextree, true) >= 0) { grandrearr(); done = rearrfirst; } if (progress) putchar('\n'); recompute = false; for (i = spp - 1; i >= 1; i--) re_move(treenode[i], &dummy, &root, recompute, treenode, &grbg, zeros); if (jumb == njumble) { if (thorough && (nextree > 2)) reducebestrees(bestrees, &nextree); if (treeprint) { putc('\n', outfile); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first %4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i <= (nextree - 2); i++) { root = treenode[0]; add(treenode[0], treenode[1], treenode[spp], &root, recompute, treenode, &grbg, zeros); nextnode = spp + 2; for (j = 3; j <= spp; j++) { if (bestrees[i].btree[j - 1] > 0) add(treenode[bestrees[i].btree[j - 1] - 1], treenode[j - 1], treenode[nextnode++ - 1], &root, recompute, treenode, &grbg, zeros); else add(treenode[treenode[-bestrees[i].btree[j - 1]-1]->back->index-1], treenode[j - 1], NULL, &root, recompute, treenode, &grbg, zeros); } reroot(treenode[outgrno - 1], root); postorder(root); evaluate(root); treelength(root, chars, treenode); dnapars_printree(); describe(); for (j = 1; j < spp; j++) re_move(treenode[j], &dummy, &root, recompute, treenode, &grbg, zeros); } } } else { openfile(&intree,INTREE,"input tree", "r",progname,intreename); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); if (numtrees > MAXNUMTREES) { printf("\nERROR: number of input trees is read incorrectly from %s\n", intreename); exxit(-1); } if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n"); } fsteps = (long **)Malloc(maxuser*sizeof(long *)); for (j = 1; j <= maxuser; j++) fsteps[j - 1] = (long *)Malloc(endsite*sizeof(long)); if (trout) fprintf(outtree, "%ld\n", numtrees); nodep = NULL; which = 1; while (which <= numtrees) { firsttree = true; nextnode = 0; haslengths = true; treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdnaparsnode); if (treeprint) fprintf(outfile, "\n\n"); if (outgropt) reroot(treenode[outgrno - 1], root); postorder(root); evaluate(root); treelength(root, chars, treenode); dnapars_printree(); describe(); if (which < numtrees) gdispose(root, &grbg, treenode); which++; } FClose(intree); putc('\n', outfile); if (numtrees > 1 && chars > 1 ) standev(chars, numtrees, minwhich, minsteps, nsteps, fsteps, seed); for (j = 1; j <= maxuser; j++) free(fsteps[j - 1]); free(fsteps); } if (jumb == njumble) { if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) { printf("Tree"); if (numtrees > 1) printf("s"); printf(" also written onto file \"%s\"\n\n", outtreename); } } } } /* maketree */ void reallocchars() { /* The amount of chars can change between runs this function reallocates all the variables whose size depends on the amount of chars */ long i; for (i=0; i < spp; i++){ free(y[i]); y[i] = (Char *)Malloc(chars*sizeof(Char)); } free(weight); free(oldweight); free(alias); free(ally); free(location); weight = (long *)Malloc(chars*sizeof(long)); oldweight = (long *)Malloc(chars*sizeof(long)); alias = (long *)Malloc(chars*sizeof(long)); ally = (long *)Malloc(chars*sizeof(long)); location = (long *)Malloc(chars*sizeof(long)); } void freerest() { /* free variables that are allocated each data set */ long i; if (!usertree) { freenode(&temp); freenode(&temp1); freenode(&temp2); freenode(&tempsum); freenode(&temprm); freenode(&tempadd); freenode(&tempf); freenode(&tmp); freenode(&tmp1); freenode(&tmp2); freenode(&tmp3); freenode(&tmprm); freenode(&tmpadd); } for (i = 0; i < spp; i++) free(y[i]); free(y); for (i = 1; i <= maxtrees; i++) free(bestrees[i - 1].btree); free(bestrees); free(nayme); free(enterorder); free(place); free(weight); free(oldweight); free(alias); free(ally); free(location); freegrbg(&grbg); if (ancseq) freegarbage(&garbage); free(threshwt); free(zeros); freenodes(nonodes, treenode); } /* freerest */ int main(int argc, Char *argv[]) { /* DNA parsimony by uphill search */ /* reads in spp, chars, and the data. Then calls maketree to construct the tree */ #ifdef MAC argc = 1; /* macsetup("Dnapars",""); */ argv[0] = "Dnapars"; #endif init(argc, argv); progname = argv[0]; openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; msets = 1; firstset = true; garbage = NULL; grbg = NULL; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); for (ith = 1; ith <= msets; ith++) { if (!(justwts && !firstset)) allocrest(); if (msets > 1 && !justwts) { fprintf(outfile, "\nData set # %ld:\n\n", ith); if (progress) printf("\nData set # %ld:\n\n", ith); } doinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); if (!justwts) freerest(); } freetree(nonodes, treenode); FClose(infile); FClose(outfile); if (weights || justwts) FClose(weightfile); if (trout) FClose(outtree); if (usertree) FClose(intree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif if (progress) printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* DNA parsimony by uphill search */ ./arbsrc_9167/GDE/PHYLIP/dnapenny.c0000644012664100000130000005414511213220011016513 0ustar arb_buildcoders#include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of trees to be printed out */ #define often 100 /* how often to notify how many trees examined */ #define many 1000 /* how many multiples of howoften before stop */ typedef node **pointptr; typedef long *treenumbers; typedef double *valptr; typedef long *placeptr; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void makeweights(void); void doinput(void); void supplement(node *); void evaluate(node *); void addtraverse(node *, node *, node *, long *, long *, valptr, placeptr); void addit(long ); void dnapenny_reroot(node *); void describe(void); void maketree(void); void reallocchars(void); /* function prototypes */ #endif extern sequence y; Char infilename[FNMLNGTH],outfilename[FNMLNGTH],outtreename[FNMLNGTH], weightfilename[FNMLNGTH]; node *root, *p; long *zeros=NULL; long chars, howmany, howoften, col, msets, ith; boolean weights, thresh, simple, trout, progress, stepbox, ancseq, mulsets, firstset, justwts; double threshold; steptr oldweight; pointptr treenode; /* pointers to all nodes in tree */ double fracdone, fracinc; boolean *added; gbases *garbage; node **grbg; Char basechar[]="ACMGRSVTWYHKDBNO???????????????"; /* Variables for maketree, propagated globally for C version: */ long examined, mults; boolean firsttime, done, recompute; double like, bestyet; treenumbers *bestorders, *bestrees; treenumbers current, order; long *threshwt; baseptr nothing; node *temp, *temp1; long suppno[] = { 0,0,0,0,0,1,1,1,1,1,1,1,1,1,1,2,2,2,2,2,2,2,2,2,2,3,3,3,3,3,4}; long suppset[] = /* this was previously a function. */ { /* in C, it doesn't need to be. */ 1 << ((long)A), 1 << ((long)C), 1 << ((long)G), 1 << ((long)T), 1 << ((long)O), (1 << ((long)A)) | (1 << ((long)C)), (1 << ((long)A)) | (1 << ((long)G)), (1 << ((long)A)) | (1 << ((long)T)), (1 << ((long)A)) | (1 << ((long)O)), (1 << ((long)C)) | (1 << ((long)G)), (1 << ((long)C)) | (1 << ((long)T)), (1 << ((long)C)) | (1 << ((long)O)), (1 << ((long)G)) | (1 << ((long)T)), (1 << ((long)G)) | (1 << ((long)O)), (1 << ((long)T)) | (1 << ((long)O)), (1 << ((long)A)) | (1 << ((long)C)) | (1 << ((long)G)), (1 << ((long)A)) | (1 << ((long)C)) | (1 << ((long)T)), (1 << ((long)A)) | (1 << ((long)C)) | (1 << ((long)O)), (1 << ((long)A)) | (1 << ((long)G)) | (1 << ((long)T)), (1 << ((long)A)) | (1 << ((long)G)) | (1 << ((long)O)), (1 << ((long)A)) | (1 << ((long)T)) | (1 << ((long)O)), (1 << ((long)C)) | (1 << ((long)G)) | (1 << ((long)T)), (1 << ((long)C)) | (1 << ((long)G)) | (1 << ((long)O)), (1 << ((long)C)) | (1 << ((long)T)) | (1 << ((long)O)), (1 << ((long)G)) | (1 << ((long)T)) | (1 << ((long)O)), (1 << ((long)A))|(1 << ((long)C))|(1 << ((long)G))|(1 << ((long)T)), (1 << ((long)A))|(1 << ((long)C))|(1 << ((long)G))|(1 << ((long)O)), (1 << ((long)A))|(1 << ((long)C))|(1 << ((long)T))|(1 << ((long)O)), (1 << ((long)A))|(1 << ((long)G))|(1 << ((long)T))|(1 << ((long)O)), (1 << ((long)C))|(1 << ((long)G))|(1 << ((long)T)) | (1 << ((long)O)), (1 << ((long)A))|(1 << ((long)C))|(1 << ((long)G)) | (1 << ((long)T)) | (1 << ((long)O))}; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nPenny algorithm for DNA, version %s\n",VERSION); fprintf(outfile, " branch-and-bound to find all"); fprintf(outfile, " most parsimonious trees\n\n"); howoften = often; howmany = many; outgrno = 1; outgropt = false; simple = true; thresh = false; threshold = spp; trout = true; weights = false; justwts = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nPenny algorithm for DNA, version %s\n",VERSION); printf(" branch-and-bound to find all most parsimonious trees\n\n"); printf("Settings for this run:\n"); printf(" H How many groups of %4ld trees:%6ld\n", howoften, howmany); printf(" F How often to report, in trees: %4ld\n", howoften); printf(" S Branch and bound is simple? %s\n", (simple ? "Yes" : "No. reconsiders order of species")); printf(" O Outgroup root? %s%3ld\n", (outgropt ? "Yes, at sequence number" : "No, use as outgroup species"),outgrno); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per site\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Print out steps in each site %s\n", (stepbox ? "Yes" : "No" )); printf(" 5 Print sequences at all nodes of tree %s\n", (ancseq ? "Yes" : "No")); printf(" 6 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); if(weights && justwts){ printf("WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; uppercase(&ch); if ((strchr("WHMSOFTI1234560",ch)) != NULL){ switch (ch) { case 'H': inithowmany(&howmany, howoften); break; case 'W': weights = !weights; break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); } break; case 'F': inithowoften(&howoften); break; case 'S': simple = !simple; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); else outgrno = 1; break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(chars*sizeof(Char)); weight = (long *)Malloc(chars*sizeof(long)); oldweight = (long *)Malloc(chars*sizeof(long)); alias = (steptr)Malloc(chars*sizeof(long)); ally = (steptr)Malloc(chars*sizeof(long)); location = (steptr)Malloc(chars*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); bestorders = (treenumbers *)Malloc(maxtrees*sizeof(treenumbers)); for (i = 1; i <= maxtrees; i++) bestorders[i - 1] = (treenumbers)Malloc(spp*sizeof(long)); bestrees = (treenumbers *)Malloc(maxtrees*sizeof(treenumbers)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1] = (treenumbers)Malloc(spp*sizeof(long)); current = (treenumbers)Malloc(spp*sizeof(long)); order = (treenumbers)Malloc(spp*sizeof(long)); added = (boolean *)Malloc(nonodes*sizeof(boolean)); } /* allocrest */ void reallocchars(void) {/* The amount of chars can change between runs this function reallocates all the variables whose size depends on the amount of chars */ long i; for (i = 0; i < spp; i++) { free(y[i]); y[i] = (Char *)Malloc(chars*sizeof(Char)); } free(weight); free(oldweight); free(alias); free(ally); free(location); weight = (long *)Malloc(chars*sizeof(long)); oldweight = (long *)Malloc(chars*sizeof(long)); alias = (steptr)Malloc(chars*sizeof(long)); ally = (steptr)Malloc(chars*sizeof(long)); location = (steptr)Malloc(chars*sizeof(long)); } /* reallocchars */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, chars); alloctree(&treenode, nonodes, false); allocrest(); } /* doinit */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= chars; i++) { alias[i - 1] = i; oldweight[i - 1] = weight[i - 1]; ally[i - 1] = i; } sitesort(chars, weight); sitecombine(chars); sitescrunch(chars); endsite = 0; for (i = 1; i <= chars; i++) { if (ally[i - 1] == i) endsite++; } for (i = 1; i <= endsite; i++) location[alias[i - 1] - 1] = i; if (!thresh) threshold = spp; threshwt = (long *)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) { weight[i] *= 10; threshwt[i] = (long)(threshold * weight[i] + 0.5); } if ( zeros != NULL ) free(zeros); zeros = (long *)Malloc(endsite*sizeof(long)); /*in makeweights()*/ for (i = 0; i < endsite; i++) zeros[i] = 0; } /* makeweights */ void doinput() { /* reads the input data */ long i; if (justwts) { if (firstset) inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; inputweights(chars, weight, &weights); if (justwts) { fprintf(outfile, "\n\nWeights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } else { if (!firstset){ samenumsp(&chars, ith); reallocchars(); } inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; if (weights) { inputweights(chars, weight, &weights); if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } } makeweights(); makevalues(treenode, zeros, false); alloctemp(&temp, zeros, endsite); alloctemp(&temp1, zeros, endsite); } /* doinput */ void supplement(node *r) { /* determine minimum number of steps more which will be added when rest of species are put in tree */ long i, j, k, sum, sumall=0, sumadded=0; boolean doneadded, allhave, addedhave, has; long supps; for (i = 0; i < endsite; i++) { sum = 3; j = 1; doneadded = false; do { allhave = true; addedhave = true; supps = suppset[j-1]; for (k = 0; k < spp; k++) { has = ((treenode[k]->base[i] & supps) != 0); if (added[k] && !doneadded) addedhave = (addedhave && has); allhave = (allhave && has); } if (allhave) sumall = suppno[j - 1]; if (addedhave) sumadded = suppno[j - 1]; doneadded = (doneadded || addedhave); j++; } while (!(j > 31 || (allhave && doneadded))); if (addedhave && allhave) sum = sumall - sumadded; r->numsteps[i] += sum * weight[i]; } } /* supplement */ void evaluate(node *r) { /* determines the number of steps needed for a tree. this is the minimum number of steps needed to evolve sequences on this tree */ long i, steps; double sum; sum = 0.0; supplement(r); for (i = 0; i < endsite; i++) { steps = r->numsteps[i]; if ((long)steps <= threshwt[i]) sum += steps; else sum += threshwt[i]; } if (examined == 0 && mults == 0) bestyet = -1.0; like = sum; } /* evaluate */ void addtraverse(node *p, node *item, node *fork, long *m, long *n, valptr valyew, placeptr place) { /* traverse all places to add item */ if (done) return; if (*m <= 2 || (p != root && p != root->next->back)) { if (p == root) fillin(temp, item, p); else { fillin(temp1, item, p); fillin(temp, temp1, p->back); } (*n)++; evaluate(temp); examined++; if (examined == howoften) { examined = 0; mults++; if (mults == howmany) done = true; if (progress) { printf("%7ld", mults); if (bestyet >= 0) printf("%16.1f", bestyet / 10.0); else printf(" - "); printf("%17ld%20.2f\n", nextree - 1, fracdone * 100); #ifdef WIN32 phyFillScreenColor(); #endif } } valyew[(*n) - 1] = like; place[(*n) - 1] = p->index; } if (!p->tip) { addtraverse(p->next->back, item, fork, m,n,valyew,place); addtraverse(p->next->next->back, item, fork,m,n,valyew,place); } } /* addtraverse */ void addit(long m) { /* adds the species one by one, recursively */ long n; valptr valyew; placeptr place; long i, j, n1, besttoadd=0; valptr bestval; placeptr bestplace; double oldfrac, oldfdone, sum, bestsum; valyew = (valptr)Malloc(nonodes*sizeof(double)); bestval = (valptr)Malloc(nonodes*sizeof(double)); place = (placeptr)Malloc(nonodes*sizeof(long)); bestplace = (placeptr)Malloc(nonodes*sizeof(long)); if (simple && !firsttime) { n = 0; added[order[m - 1] - 1] = true; addtraverse(root, treenode[order[m - 1] - 1], treenode[spp + m - 2], &m,&n,valyew,place); besttoadd = order[m - 1]; memcpy(bestplace, place, nonodes*sizeof(long)); memcpy(bestval, valyew, nonodes*sizeof(double)); } else { bestsum = -1.0; for (i = 1; i <= spp; i++) { if (!added[i - 1]) { n = 0; added[i - 1] = true; addtraverse(root, treenode[i - 1], treenode[spp + m - 2], &m,&n,valyew,place); added[i - 1] = false; sum = 0.0; for (j = 0; j < n; j++) sum += valyew[j]; if (sum > bestsum) { bestsum = sum; besttoadd = i; memcpy(bestplace, place, nonodes*sizeof(long)); memcpy(bestval, valyew, nonodes*sizeof(double)); } } } } order[m - 1] = besttoadd; memcpy(place, bestplace, nonodes*sizeof(long)); memcpy(valyew, bestval, nonodes*sizeof(double)); shellsort(valyew, place, n); oldfrac = fracinc; oldfdone = fracdone; n1 = 0; for (i = 0; i < n; i++) { if (valyew[i] <= bestyet || bestyet < 0.0) n1++; } if (n1 > 0) fracinc /= n1; for (i = 0; i < n; i++) { if (valyew[i] <= bestyet || bestyet < 0.0) { current[m - 1] = place[i]; recompute = (m < spp); add(treenode[place[i] - 1], treenode[besttoadd - 1], treenode[spp + m - 2], &root, recompute, treenode, grbg, zeros); added[besttoadd - 1] = true; if (m < spp) addit(m + 1); else { if (valyew[i] < bestyet || bestyet < 0.0) { nextree = 1; bestyet = valyew[i]; } if (nextree <= maxtrees) { memcpy(bestorders[nextree - 1], order, spp*sizeof(long)); memcpy(bestrees[nextree - 1], current, spp*sizeof(long)); } nextree++; firsttime = false; } recompute = (m < spp); re_move(treenode[besttoadd - 1], &treenode[spp + m - 2], &root, recompute, treenode, grbg, zeros); added[besttoadd - 1] = false; } fracdone += fracinc; } fracinc = oldfrac; fracdone = oldfdone; free(valyew); free(bestval); free(place); free(bestplace); } /* addit */ void dnapenny_reroot(node *outgroup) { /* reorients tree, putting outgroup in desired position. */ node *p, *q, *newbottom, *oldbottom; if (outgroup->back->index == root->index) return; newbottom = outgroup->back; p = treenode[newbottom->index - 1]->back; while (p->index != root->index) { oldbottom = treenode[p->index - 1]; treenode[p->index - 1] = p; p = oldbottom->back; } p = root->next; q = root->next->next; p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; outgroup->back->back = root->next->next; outgroup->back = root->next; treenode[newbottom->index - 1] = newbottom; } /* dnapenny_reroot */ void describe() { /* prints ancestors, steps and table of numbers of steps in each site */ if (stepbox) writesteps(chars, weights, oldweight, root); if (ancseq) { hypstates(chars, root, treenode, &garbage, basechar); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout(root, nextree, &col, root); } } /* describe */ void maketree() { /* tree construction recursively by branch and bound */ long i, j, k; node *dummy; if (progress) { printf("\nHow many\n"); printf("trees looked Approximate\n"); printf("at so far Length of How many percentage\n"); printf("(multiples longest tree trees this long searched\n"); printf("of %4ld): found so far found so far so far\n", howoften); printf("---------- ------------ ------------ ------------\n"); } #ifdef WIN32 phyFillScreenColor(); #endif done = false; mults = 0; examined = 0; nextree = 1; root = treenode[0]; firsttime = true; for (i = 0; i < spp; i++) added[i] = false; added[0] = true; order[0] = 1; k = 2; fracdone = 0.0; fracinc = 1.0; bestyet = -1.0; recompute = true; addit(k); if (done) { if (progress) { printf("Search broken off! Not guaranteed to\n"); printf(" have found the most parsimonious trees.\n"); } if (treeprint) { fprintf(outfile, "Search broken off! Not guaranteed to\n"); fprintf(outfile, " have found the most parsimonious\n"); fprintf(outfile, " trees, but here is what we found:\n"); } } if (treeprint) { fprintf(outfile, "\nrequires a total of %18.3f\n\n", bestyet / 10.0); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i < spp; i++) added[i] = true; for (i = 0; i <= nextree - 2; i++) { root = treenode[0]; for (j = k; j <= spp; j++) add(treenode[bestrees[i][j - 1] - 1], treenode[bestorders[i][j - 1] - 1], treenode[spp + j - 2], &root, recompute, treenode, grbg, zeros); dnapenny_reroot(treenode[outgrno - 1]); postorder(root); evaluate(root); printree(root, 1.0); describe(); for (j = k - 1; j < spp; j++) re_move(treenode[bestorders[i][j] - 1], &dummy, &root, recompute, treenode, grbg, zeros); } if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n\n", outtreename); } freetemp(&temp); freetemp(&temp1); if (ancseq) freegarbage(&garbage); } /* maketree */ int main(int argc, Char *argv[]) { /* Penny's branch-and-bound method for DNA sequences */ #ifdef MAC argc = 1; /* macsetup("Dnapenny",""); */ argv[0] = "Dnapenny"; #endif init(argc, argv); /* Reads in the number of species, number of characters, options and data. Then finds all most parsimonious trees */ openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; garbage = NULL; msets = 1; firstset = true; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); for (ith = 1; ith <= msets; ith++) { doinput(); if (ith == 1) firstset = false; if (msets > 1 && !justwts) { fprintf(outfile, "\nData set # %ld:\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } maketree(); free(threshwt); freenodes(nonodes,treenode); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Penny's branch-and-bound method for DNA sequences */ ./arbsrc_9167/GDE/PHYLIP/doc/clique.html0000644012664100000130000002213111213220011017436 0ustar arb_buildcoders clique
version 3.6

CLIQUE -- Compatibility Program

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

Note: Clique is an Old Style program. This means that it takes some of its options information, notably the Weights, Ancestral states and Factors options from the input file rather than from separate files of their own as the New Style programs in this version of PHYLIP do.

This program uses the compatibility method for unrooted two-state characters to obtain the largest cliques of characters and the trees which they suggest. This approach originated in the work of Le Quesne (1969), though the algorithms were not precisely specified until the later work of Estabrook, Johnson, and McMorris (1976a, 1976b). These authors proved the theorem that a group of two-state characters which were pairwise compatible would be jointly compatible. This program uses an algorithm inspired by the Kent Fiala - George Estabrook program CLINCH, though closer in detail to the algorithm of Bron and Kerbosch (1973). I am indebted to Kent Fiala for pointing out that paper to me, and to David Penny for decribing to me his branch-and-bound approach to finding largest cliques, from which I have also borrowed. I am particularly grateful to Kent Fiala for catching a bug in versions 2.0 and 2.1 which resulted in those versions failing to find all of the cliques which they should. The program computes a compatibility matrix for the characters, then uses a recursive procedure to examine all possible cliques of characters.

After one pass through all possible cliques, the program knows the size of the largest clique, and during a second pass it prints out the cliques of the right size. It also, along with each clique, prints out a the tree suggested by that clique.

INPUT, OUTPUT, AND OPTIONS

Input to the algorithm is standard, but the "?", "P", and "B" states are not allowed. This is a serious limitation of this program. If you want to find large cliques in data that has "?" states, I recommend that you use MIX instead with the T (Threshold) option and the value of the threshold set to 2.0. The theory underlying this is given in my paper on character weighting (Felsenstein, 1981b).

The options are chosen from a menu, which looks like this:


Largest clique program, version 3.6a3

Settings for this run:
  A   Use ancestral states in input file?  No
  C          Specify minimum clique size?  No
  O                        Outgroup root?  No, use as outgroup species  1
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  none
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3        Print out compatibility matrix  No
  4                        Print out tree  Yes
  5       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

The A (Ancestors), O (Outgroup) and M (Multiple Data Sets) options are the usual ones, described in the main documentation file. However, Clique being an Old Style program, the options information for the Ancestors, Factors, and Weights options must be specified, not in separate files, but in the input data file. This is done by putting the letters A, F, or W on the first line of the input file, separated by blanks from the number of characters. The options information then follows, with the first line of each option's information starting with its letter, followed by at least 9 spaces or other characters to fill out to the length of a species name before the options information occurs: You can continue to a new line within the options information at any time. Here is a simple example:

     5    6 FAW
WEIGHTS   111101
ANCESTORS 001111
FACTORS   112234
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110

If you use option A (Ancestors) you should also choose it in the menu. The compatibility matrix calculation in effect assumes if the Ancestors option is invoked that there is in the data another species that has all the ancestral states. This changes the compatibility patterns in the proper way. The Ancestors option also requires information on the ancestral states of each character to be in the input file.

The Outgroup option will take effect only if the tree is not rooted by the Ancestral States option.

The C (Clique Size) option indicates that you wish to specify a minimum clique size and print out all cliques (and their associated trees) greater than or equal to than that size. The program prompts you for the minimum clique size.

Note that this allows you to list all cliques (each with its tree) by simply setting the minimum clique size to 1. If you do one run and find that the largest clique has 23 characters, you can do another run with the minimum clique size set at 18, thus listing all cliques within 5 characters of the largest one.

Output involves a compatibility matrix (using the symbols "." and "1") and the cliques and trees.

If you have used the F option there will be two lists of characters for each clique, one the original multistate characters and the other the binary characters. It is the latter that are shown on the tree. When the F option is not used the output and the cliques reflect only the binary characters.

The trees produced have it indicated on each branch the points at which derived character states arise in the characters that define the clique. There is a legend above the tree showing which binary character is involved. Of course if the tree is unrooted you can read the changes as going in either direction.

The program runs very quickly but if the maximum number of characters is large it will need a good deal of storage, since the compatibility matrix requires ActualChars x ActualChars boolean variables, where ActualChars is the number of characters (in the case of the factors option the total number of true multistate characters.

ASSUMPTIONS

Basically the following assumptions are made:

  1. Each character evolves independently.
  2. Different lineages evolve independently.
  3. The ancestral state is not known.
  4. Each character has a small chance of being one which evolves so rapidly, or is so thoroughly misinterpreted, that it provides no information on the tree.
  5. The probability of a single change in a character (other than in the high rate characters) is low but not as low as the probability of being one of these "bad" characters.
  6. The probability of two changes in a low-rate character is much less than the probability that it is a high-rate character.
  7. The true tree has segments which are not so unequal in length that two changes in a long are as easy to envisage as one change in a short segment.

The assumptions of compatibility methods have been treated in several of my papers (1978b, 1979, 1981b, 1988b), especially the 1981 paper. For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

A constant available for alteration at the beginning of the program is the form width, "FormWide", which you may want to change to make it as large as possible consistent with the page width available on your output device, so as to avoid the output of cliques and of trees getting wrapped around unnecessarily.


TEST DATA SET

     5    6
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110


TEST SET OUTPUT (with all numerical options on)


Largest clique program, version 3.6a3


Character Compatibility Matrix (1 if compatible)
--------- ------------- ------ -- -- -----------

                     111..1
                     111..1
                     111..1
                     ...111
                     ...111
                     111111


Largest Cliques
------- -------


Characters: (  1  2  3  6)


  Tree and characters:

     2  1  3  6
     0  0  1  1

             +1-Delta     
       +0--1-+
  +--0-+     +--Epsilon   
  !    !
  !    +--------Gamma     
  !
  +-------------Alpha     
  !
  +-------------Beta      

remember: this is an unrooted tree!


./arbsrc_9167/GDE/PHYLIP/doc/consense.html0000644012664100000130000003120111213220011017767 0ustar arb_buildcoders consense

version 3.6

CONSENSE -- Consensus tree program

© Copyright 1986-2000 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

CONSENSE reads a file of computer-readable trees and prints out (and may also write out onto a file) a consensus tree. At the moment it carries out a family of consensus tree methods called the Ml methods (Margush and McMorris, 1981). These include strict consensus and majority rule consensus. Basically the consensus tree consists of monophyletic groups that occur as often as possible in the data. If a group occurs in more than a fraction l of all the input trees it will definitely appear in the consensus tree.

The tree printed out has at each fork a number indicating how many times the group which consists of the species to the right of (descended from) the fork occurred. Thus if we read in 15 trees and find that a fork has the number 15, that group occurred in all of the trees. The strict consensus tree consists of all groups that occurred 100% of the time, the rest of the resolution being ignored. The tree printed out here includes groups down to 50%, and below it until the tree is fully resolved.

The majority rule consensus tree consists of all groups that occur more than 50% of the time. Any other percentage level between 50% and 100% can also be used, and that is why the program in effect carries out a family of methods. You have to decide on the percentage level, figure out for yourself what number of occurrences that would be (e.g. 15 in the above case for 100%), and resolutely ignore any group below that number. Do not use numbers at or below 50%, because some groups occurring (say) 35% of the time will not be shown on the tree. The collection of all groups that occur 35% or more of the time may include two groups that are mutually self contradictory and cannot appear in the same tree. In this program, as the default method I have included groups that occur less than 50% of the time, working downwards in their frequency of occurrence, as long as they continue to resolve the tree and do not contradict more frequent groups. In this respect the method is similar to the Nelson consensus method (Nelson, 1979) as explicated by Page (1989) although it is not identical to it.

The program can also carry out Strict consensus, Majority Rule consensus without the extension which adds groups until the tree is fully resolved, and other members of the Ml family, where the user supplied the fraction of times the group must appear in the input trees to be included in the consensus tree. For the moment the program cannot carry out any other consensus tree method, such as Adams consensus (Adams, 1972, 1986) or methods based on quadruples of species (Estabrook, McMorris, and Meacham, 1985).

INPUT, OUTPUT, AND OPTIONS

Input is a tree file (called intree) which contains a series of trees in the Newick standard form -- the form used when many of the programs in this package write out tree files. Each tree starts on a new line. Each tree can have a weight, which is a real number and is located in comment brackets "[" and "]" just before the final ";" which ends the description of the tree. When the input trees have weights (like [0.01000]) then the total number of trees will be the total of those weights, which is often a number like 1.00. When the a tree doesn't have a weight it will each be assigned a weight of 1. This means that when we have tied trees (as from a parsimony program) three alternative tied trees will be counted as if each was 1/3 of a tree.

Note that this program can correctly read trees whether or not they are bifurcating: in fact they can be multifurcating at any level in the tree.

The options are selected from a menu, which looks like this:


Majority-rule and strict consensus tree program, version 3.6

Settings for this run:
 C   Consensus type (strict, MR, MRe, Ml)  Majority Rule (extended)
 O                         Outgroup root:  No, use as outgroup species  1
 R         Trees to be treated as Rooted:  No
 T    Terminal type (IBM PC, ANSI, none):  none
 1         Print out the sets of species:  Yes
 2  Print indications of progress of run:  Yes
 3                        Print out tree:  Yes
 4        Write out trees onto tree file:  Yes

Are these settings correct? (type Y or the letter for one to change)

Option C (Consensus method) selects which of four methods the program uses. The program defaults to using the extended Majority Rule method. Each time the C option is chosen the program moves on to another method, the others being in order Strict, Majority Rule, and Ml. Here are descriptions of the methods. In each case the fraction of times a set appears among the input trees is counted by weighting by the weights of the trees (the numbers like [0.6000] that appear at the ends of trees in some cases).

Strict
A set of species must appear in all input trees to be included in the strict consensus tree.

Majority Rule (extended)
Any set of species that appears in more than 50% of the trees is included. The program then considers the other sets of species in order of the frequency with which they have appeared, adding to the consensus tree any which are compatible with it until the tree is fully resolved. This is the default setting.

Ml
The user is asked for a fraction between 0.5 and 1, and the program then includes in the consensus tree any set of species that occurs among the input trees more than that fraction of then time. The Strict consensus and the Majority Rule consensus are extreme cases of the Ml consensus, being for fractions of 1 and 0.5 respectively.

Majority Rule
A set of species is included in the consensus tree if it is present in more than half of the input trees.

Option R (Rooted) toggles between the default assumption that the input trees are unrooted trees and the selection that specifies that the tree is to be treated as a rooted tree and not re-rooted. Otherwise the tree will be treated as outgroup-rooted and will be re-rooted automatically at the first species encountered on the first tree (or at a species designated by the Outgroup option).

Option O is the usual Outgroup rooting option. It is in effect only if the Rooted option selection is not in effect. The trees will be re-rooted with a species of your choosing. You will be asked for the number of the species that is to be the outgroup. If we want to outgroup-root the tree on the line leading to a species which appears as the third species (counting left-to-right) in the first computer-readable tree in the input file, we would invoke select menu option O and specify species 3.

Output is a list of the species (in the order in which they appear in the first tree, which is the numerical order used in the program), a list of the subsets that appear in the consensus tree, a list of those that appeared in one or another of the individual trees but did not occur frequently enough to get into the consensus tree, followed by a diagram showing the consensus tree. The lists of subsets consists of a row of symbols, each either "." or "*". The species that are in the set are marked by "*". Every ten species there is a blank, to help you keep track of the alignment of columns. The order of symbols corresponds to the order of species in the species list. Thus a set that consisted of the second, seventh, and eighth out of 13 species would be represented by:

	  .*....**.. ...

Note that if the trees are unrooted the final tree will have one group, consisting of every species except the Outgroup (which by default is the first species encountered on the first tree), which always appears. It will not be listed in either of the lists of sets, but it will be shown in the final tree as occurring all of the time. This is hardly surprising: in telling the program that this species is the outgroup we have specified that the set consisting of all of the others is always a monophyletic set. So this is not to be taken as interesting information, despite its dramatic appearance.

Option 2 in the menu gives you the option of turning off the writing of these sets into the output file. This may be useful if you are primarily interested in getting the tree file.

Option 3 is the usual tree file option. If this is on (it is by default) then the final tree will be written onto an output tree file (whose default name is "outtree"). Note that the lengths on the tree on the output tree file are not branch lengths but the number of times that each group appeared in the input trees. This number is the sum of the weights of the trees in which it appeared, so that if there are 11 trees, ten of them having weight 0.1 and one weight 1.0, a group that appeared in the last tree and in 6 others would be shown as appearing 1.6 times and its branch length will be 1.6.

CONSTANTS

The program uses the consensus tree algorithm originally designed for the bootstrap programs. It is quite fast, and execution time is unlikely to be limiting for you (assembling the input file will be much more of a limiting step). In the future, if possible, more consensus tree methods will be incorporated (although the current methods are the ones needed for the component analysis of bootstrap estimates of phylogenies, and in other respects I also think that the present ones are among the best).


TEST DATA SET

(A,(B,(H,(D,(J,(((G,E),(F,I)),C))))));
(A,(B,(D,((J,H),(((G,E),(F,I)),C)))));
(A,(B,(D,(H,(J,(((G,E),(F,I)),C))))));
(A,(B,(E,(G,((F,I),((J,(H,D)),C))))));
(A,(B,(E,(G,((F,I),(((J,H),D),C))))));
(A,(B,(E,((F,I),(G,((J,(H,D)),C))))));
(A,(B,(E,((F,I),(G,(((J,H),D),C))))));
(A,(B,(E,((G,(F,I)),((J,(H,D)),C)))));
(A,(B,(E,((G,(F,I)),(((J,H),D),C)))));


TEST SET OUTPUT


Majority-rule and strict consensus tree program, version 3.6

Species in order: 

  A
  B
  H
  D
  J
  G
  E
  F
  I
  C


Sets included in the consensus tree

Set (species in order)     How many times out of    9.00

.......**.                   9.00
..********                   9.00
..***....*                   6.00
..****.***                   6.00
..***.....                   6.00
..*.*.....                   4.00
..***..***                   2.00


Sets NOT included in consensus tree:

Set (species in order)     How many times out of    9.00

.....**...                   3.00
.....****.                   3.00
..**......                   3.00
.....*****                   3.00
..*.******                   2.00
.....*.**.                   2.00
..****...*                   2.00
....******                   2.00
...*******                   1.00


Majority rule consensus (extended to resolve tree)

CONSENSUS TREE:
the numbers at the forks indicate the number
of times the group consisting of the species
which are to the right of that fork occurred
among the trees, out of   9.00 trees

  +-------------------------------------------------------A
  |
  |             +-----------------------------------------E
  |             |
  |             |                                  +------I
  |             |             +----------------9.0-|
  |             |             |                    +------F
  |      +--9.0-|             |
  |      |      |      +--2.0-|             +-------------D
  |      |      |      |      |      +--6.0-|
  |      |      |      |      |      |      |      +------J
  |      |      |      |      +--6.0-|      +--4.0-|
  +------|      +--6.0-|             |             +------H
         |             |             |
         |             |             +--------------------C
         |             |
         |             +----------------------------------G
         |
         +------------------------------------------------B


  remember: this is an unrooted tree!

./arbsrc_9167/GDE/PHYLIP/doc/contchar.html0000644012664100000130000001644311213220011017766 0ustar arb_buildcoders contchar

version 3.6

Gene Frequencies and Continuous Character Data Programs

© Copyright 1986-2000 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

The programs in this group use gene frequencies and quantitative character values. One (CONTML) constructs maximum likelihood estimates of the phylogeny, another (GENDIST) computes genetic distances for use in the distance matrix programs, and the third (CONTRAST) examines correlation of traits as they evolve along a given phylogeny.

When the gene frequencies data are used in CONTML or GENDIST, this involves the following assumptions:

  1. Different lineages evolve independently.
  2. After two lineages split, their characters change independently.
  3. Each gene frequency changes by genetic drift, with or without mutation (this varies from method to method).
  4. Different loci or characters drift independently.

How these assumptions affect the methods will be seen in my papers on inference of phylogenies from gene frequency and continuous character data (Felsenstein, 1973b, 1981c, 1985c).

The input formats are fairly similar to the discrete-character programs, but with one difference. When CONTML is used in the gene-frequency mode (its usual, default mode), or when GENDIST is used, the first line contains the number of species (or populations) and the number of loci and the options information. There then follows a line which gives the numbers of alleles at each locus, in order. This must be the full number of alleles, not the number of alleles which will be input: i. e. for a two-allele locus the number should be 2, not 1. There then follow the species (population) data, each species beginning on a new line. The first 10 characters are taken as the name, and thereafter the values of the individual characters are read free-format, preceded and separated by blanks. They can go to a new line if desired, though of course not in the middle of a number. Missing data is not allowed - an important limitation. In the default configuration, for each locus, the numbers should be the frequencies of all but one allele. The menu option A (All) signals that the frequencies of all alleles are provided in the input data -- the program will then automatically ignore the last of them. So without the A option, for a three-allele locus there should be two numbers, the frequencies of two of the alleles (and of course it must always be the same two!). Here is a typical data set without the A option:

     5    3
2 3 2
Alpha      0.90 0.80 0.10 0.56
Beta       0.72 0.54 0.30 0.20
Gamma      0.38 0.10 0.05  0.98
Delta      0.42 0.40 0.43 0.97
Epsilon    0.10 0.30 0.70 0.62

whereas here is what it would have to look like if the A option were invoked:

     5    3
2 3 2
Alpha      0.90 0.10 0.80 0.10 0.10 0.56 0.44
Beta       0.72 0.28 0.54 0.30 0.16 0.20 0.80
Gamma      0.38 0.62 0.10 0.05 0.85  0.98 0.02
Delta      0.42 0.58 0.40 0.43 0.17 0.97 0.03
Epsilon    0.10 0.90 0.30 0.70 0.00 0.62 0.38

The first line has the number of species (or populations) and the number of loci. The second line has the number of alleles for each of the 3 loci. The species lines have names (filled out to 10 characters with blanks) followed by the gene frequencies of the 2 alleles for the first locus, the 3 alleles for the second locus, and the 2 alleles for the third locus. You can start a new line after any of these allele frequencies, and continue to give the frequencies on that line (without repeating the species name).

If all alleles of a locus are given, it is important to have them add up to 1. Roundoff of the frequencies may cause the program to conclude that the numbers do not sum to 1, and stop with an error message.

While many compilers may be more tolerant, it is probably wise to make sure that each number, including the first, is preceded by a blank, and that there are digits both preceding and following any decimal points.

CONTML and CONTRAST also treat quantitative characters (the continuous-characters mode in CONTML, which is option C). It is assumed that each character is evolving according to a Brownian motion model, at the same rate, and independently. In reality it is almost always impossible to guarantee this. The issue is discussed at length in my review article in Annual Review of Ecology and Systematics (Felsenstein, 1988a), where I point out the difficulty of transforming the characters so that they are not only genetically independent but have independent selection acting on them. If you are going to use CONTML to model evolution of continuous characters, then you should at least make some attempt to remove genetic correlations between the characters (usually all one can do is remove phenotypic correlations by transforming the characters so that there is no within-population covariance and so that the within-population variances of the characters are equal -- this is equivalent to using Canonical Variates). However, this will only guarantee that one has removed phenotypic covariances between characters. Genetic covariances could only be removed by knowing the coheritabilities of the characters, which would require genetic experiments, and selective covariances (covariances due to covariation of selection pressures) would require knowledge of the sources and extent of selection pressure in all variables.

CONTRAST is a program designed to infer, for a given phylogeny that is provided to the program, the covariation between characters in a data set. Thus we have a program in this set that allow us to take information about the covariation and rates of evolution of characters and make an estimate of the phylogeny (CONTML), and a program that takes an estimate of the phylogeny and infers the variances and covariances of the character changes. But we have no program that infers both the phylogenies and the character covariation from the same data set.

In the quantitative characters mode, a typical small data set would be:

     5   6
Alpha      0.345 0.467 1.213  2.2  -1.2 1.0
Beta       0.457 0.444 1.1    1.987 -0.2 2.678
Gamma      0.6 0.12 0.97 2.3  -0.11 1.54
Delta      0.68  0.203 0.888 2.0  1.67
Epsilon    0.297  0.22 0.90 1.9 1.74

Note that in the latter case, there is no line giving the numbers of alleles at each locus. In this latter case no square-root transformation of the coordinates is done: each is assumed to give directly the position on the Brownian motion scale.

For further discussion of options and modifiable constants in CONTML, GENDIST, and CONTRAST see the documentation files for those programs. ./arbsrc_9167/GDE/PHYLIP/doc/contml.html0000644012664100000130000003233711213220011017461 0ustar arb_buildcoders contml

version 3.6

CONTML - Gene Frequencies and Continuous Characters Maximum Likelihood method

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program estimates phylogenies by the restricted maximum likelihood method based on the Brownian motion model. It is based on the model of Edwards and Cavalli-Sforza (1964; Cavalli-Sforza and Edwards, 1967). Gomberg (1966), Felsenstein (1973b, 1981c) and Thompson (1975) have done extensive further work leading to efficient algorithms. CONTML uses restricted maximum likelihood estimation (REML), which is the criterion used by Felsenstein (1973b). The actual algorithm is an iterative EM Algorithm (Dempster, Laird, and Rubin, 1977) which is guaranteed to always give increasing likelihoods. The algorithm is described in detail in a paper of mine (Felsenstein, 1981c), which you should definitely consult if you are going to use this program. Some simulation tests of it are given by Rohlf and Wooten (1988) and Kim and Burgman (1988).

The default (gene frequency) mode treats the input as gene frequencies at a series of loci, and square-root-transforms the allele frequencies (constructing the frequency of the missing allele at each locus first). This enables us to use the Brownian motion model on the resulting coordinates, in an approximation equivalent to using Cavalli-Sforza and Edwards's (1967) chord measure of genetic distance and taking that to give distance between particles undergoing pure Brownian motion. It assumes that each locus evolves independently by pure genetic drift.

The alternative continuous characters mode (menu option C) treats the input as a series of coordinates of each species in N dimensions. It assumes that we have transformed the characters to remove correlations and to standardize their variances.

The input file is as described in the continuous characters documentation file above. Options are selected using a menu:


Continuous character Maximum Likelihood method version 3.6a3

Settings for this run:
  U                       Search for best tree?  Yes
  C  Gene frequencies or continuous characters?  Gene frequencies
  A   Input file has all alleles at each locus?  No, one allele missing at each
  O                              Outgroup root?  No, use as outgroup species 1
  G                      Global rearrangements?  No
  J           Randomize input order of species?  No. Use input order
  M                 Analyze multiple data sets?  No
  0         Terminal type (IBM PC, ANSI, none)?  (none)
  1          Print out the data at start of run  No
  2        Print indications of progress of run  Yes
  3                              Print out tree  Yes
  4             Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

Option U is the usual User Tree option. Options C (Continuous Characters) and A (All alleles present) have been described in the Gene Frequencies and Continuous Characters Programs documentation file. The options G, J, O and M are the usual Global Rearrangements, Jumble order of species, Outgroup root, and Multiple Data Sets options.

The M (Multiple data sets) option does not allow multiple sets of weights instead of multiple data sets, as there are no weights in this program.

The G and J options have no effect if the User Tree option is selected. User trees are given with a trifurcation (three-way split) at the base. They can start from any interior node. Thus the tree:

     A
     !
     *--B
     !
     *-----C
     !
     *--D
     !
     E

can be represented by any of the following:

     (A,B,(C,(D,E)));
     ((A,B),C,(D,E));
     (((A,B),C),D,E);

(there are of course 69 other representations as well obtained from these by swapping the order of branches at an interior node).

The output has a standard appearance. The topology of the tree is given by an unrooted tree diagram. The lengths (in time or in expected amounts of variance) are given in a table below the topology, and a rough confidence interval given for each length. Negative lower bounds on length indicate that rearrangements may be acceptable.

The units of length are amounts of expected accumulated variance (not time). The log likelihood (natural log) of each tree is also given, and it is indicated how many topologies have been tried. The tree does not necessarily have all tips contemporary, and the log likelihood may be either positive or negative (this simply corresponds to whether the density function does or does not exceed 1) and a negative log likelihood does not indicate any error. The log likelihood allows various formal likelihood ratio hypothesis tests. The description of the tree includes approximate standard errors on the lengths of segments of the tree. These are calculated by considering only the curvature of the likelihood surface as the length of the segment is varied, holding all other lengths constant. As such they are most probably underestimates of the variance, and hence may give too much confidence in the given tree.

One should use caution in interpreting the likelihoods that are printed out. If the model is wrong, it will not be possible to use the likelihoods to make formal statistical statements. Thus, if gene frequencies are being analyzed, but the gene frequencies change not only by genetic drift, but also by mutation, the model is not correct. It would be as well-justified in this case to use GENDIST to compute the Nei (1972) genetic distance and then use FITCH, KITSCH or NEIGHBOR to make a tree. If continuous characters are being analyzed, but if the characters have not been transformed to new coordinates that evolve independently and at equal rates, then the model is also violated and no statistical analysis is possible.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of log-likelihood differences between trees, taken across loci. If the two trees means are more than 1.96 standard deviations different then the trees are declared significantly different. This use of the empirical variance of log-likelihood differences is more robust and nonparametric than the classical likelihood ratio test, and may to some extent compensate for the any lack of realism in the model underlying this program.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. The version used here is a multivariate normal approximation to their test; it is due to Shimodaira (1998). The variances and covariances of the sum of log likelihoods across loci are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected log-likelihood, log-likelihoods for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest log-likelihood exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the log-likelihoods of each tree, the differences of each from the highest one, the variance of that quantity as determined by the log-likelihood differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one.

One problem which sometimes arises is that the program is fed two species (or populations) with identical transformed gene frequencies: this can happen if sample sizes are small and/or many loci are monomorphic. In this case the program "gets its knickers in a twist" and can divide by zero, usually causing a crash. If you suspect that this has happened, check for two species with identical coordinates. If you find them, eliminate one from the problem: the two must always show up as being at the same point on the tree anyway.

The constants available for modification at the beginning of the program include "epsilon1", a small quantity used in the iterations of branch lengths, "epsilon2", another not quite so small quantity used to check whether gene frequencies that were fed in for all alleles do not add up to 1, "smoothings", the number of passes through a given tree in the iterative likelihood maximization for a given topology, "maxtrees", the maximum number of user trees that will be used for the Kishino-Hasegawa-Templeton test, and "namelength", the length of species names. There is no provision in this program for saving multiple trees that are tied for having the highest likelihood, mostly because an exact tie is unlikely anyway.

The algorithm does not run as quickly as the discrete character methods but is not enormously slower. Like them, its execution time should rise as the cube of the number of species.

TEST DATA SET

This data set was compiled by me from the compilation of human gene frequencies by Mourant (1976). It appeared in a paper of mine (Felsenstein, 1981c) on maximum likelihood phylogenies from gene frequencies. The names of the loci and alleles are given in that paper.

    5    10
2 2 2 2 2 2 2 2 2 2
European   0.2868 0.5684 0.4422 0.4286 0.3828 0.7285 0.6386 0.0205
0.8055 0.5043
African    0.1356 0.4840 0.0602 0.0397 0.5977 0.9675 0.9511 0.0600
0.7582 0.6207
Chinese    0.1628 0.5958 0.7298 1.0000 0.3811 0.7986 0.7782 0.0726
0.7482 0.7334
American   0.0144 0.6990 0.3280 0.7421 0.6606 0.8603 0.7924 0.0000
0.8086 0.8636
Australian 0.1211 0.2274 0.5821 1.0000 0.2018 0.9000 0.9837 0.0396
0.9097 0.2976


TEST SET OUTPUT (WITH ALL NUMERICAL OPTIONS TURNED ON)


Continuous character Maximum Likelihood method version 3.6a3


   5 Populations,   10 Loci

Numbers of alleles at the loci:
------- -- ------- -- --- -----

   2   2   2   2   2   2   2   2   2   2

Name                 Gene Frequencies
----                 ---- -----------

  locus:         1         2         3         4         5         6
                 7         8         9        10

European     0.28680   0.56840   0.44220   0.42860   0.38280   0.72850
             0.63860   0.02050   0.80550   0.50430
African      0.13560   0.48400   0.06020   0.03970   0.59770   0.96750
             0.95110   0.06000   0.75820   0.62070
Chinese      0.16280   0.59580   0.72980   1.00000   0.38110   0.79860
             0.77820   0.07260   0.74820   0.73340
American     0.01440   0.69900   0.32800   0.74210   0.66060   0.86030
             0.79240   0.00000   0.80860   0.86360
Australian   0.12110   0.22740   0.58210   1.00000   0.20180   0.90000
             0.98370   0.03960   0.90970   0.29760


  +----------------------------------African   
  !  
  !              +--------American  
  1--------------2  
  !              !                    +-----------------------Australian
  !              +--------------------3  
  !                                   +Chinese   
  !  
  +--European  


remember: this is an unrooted tree!

Ln Likelihood =    33.29060

Between     And             Length      Approx. Confidence Limits
-------     ---             ------      ------- ---------- ------
  1       African           0.08464   (     0.02351,     0.17917)
  1          2              0.03569   (    -0.00262,     0.09493)
  2       American          0.02094   (    -0.00904,     0.06731)
  2          3              0.05098   (     0.00555,     0.12124)
  3       Australian        0.05959   (     0.01775,     0.12430)
  3       Chinese           0.00221   (    -0.02034,     0.03710)
  1       European          0.00624   (    -0.01948,     0.04601)


./arbsrc_9167/GDE/PHYLIP/doc/contrast.html0000644012664100000130000002544711213220011020026 0ustar arb_buildcoders contchar

version 3.6

CONTRAST -- Computes contrasts for comparative method


© Copyright 1991-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the contrasts calculation described in my 1985 paper on the comparative method (Felsenstein, 1985d). It reads in a data set of the standard quantitative characters sort, and also a tree from the treefile. It then forms the contrasts between species that, according to that tree, are statistically independent. This is done for each character. The contrasts are all standardized by branch lengths (actually, square roots of branch lengths).

The method is explained in the 1985 paper. It assumes a Brownian motion model. This model was introduced by Edwards and Cavalli-Sforza (1964; Cavalli-Sforza and Edwards, 1967) as an approximation to the evolution of gene frequencies. I have discussed (Felsenstein, 1973b, 1981c, 1985d, 1988b) the difficulties inherent in using it as a model for the evolution of quantitative characters. Chief among these is that the characters do not necessarily evolve independently or at equal rates. This program allows one to evaluate this, if there is independent information on the phylogeny. You can compute the variance of the contrasts for each character, as a measure of the variance accumulating per unit branch length. You can also test covariances of characters.

The input file is as described in the continuous characters documentation file above, for the case of continuous quantitative characters (not gene frequencies). Options are selected using a menu:


Continuous character comparative analysis, version 3.6a3

Settings for this run:
  W        within-population variation in data?  No, species values are means
  R     Print out correlations and regressions?  Yes
  A      LRT test of no phylogenetic component?  Yes, with and without VarA
  C                        Print out contrasts?  No
  M                     Analyze multiple trees?  No
  0         Terminal type (IBM PC, ANSI, none)?  (none)
  1          Print out the data at start of run  No
  2        Print indications of progress of run  Yes

  Y to accept these or type the letter for one to change

Option W makes the program expect not means of the phenotypes in each species, but phenotypes of individual specimens. The details of the input file format in that case are given below. In that case the program estimates the covariances of the phenotypic change, as well as covariances of within-species phenotypic variation. The model used is similar to (but not identical to) that of Lynch (1990). The algorithms used differ from the ones he gives in that paper. They will be described in a forthcoming paper by me. In the case that has within-species samples contrasts are used by the program, but it does not make sense to write them out to an output file for direct analysis. They are of two kinds, contrasts within species and contrasts between species. The former are affected only by the within-species phenotypic covariation, but the latter are affected by both within- and between-species covariation. CONTRAST infers these two kinds of covariances and writes the estimates out.

M is similar to the usual multiple data sets input option, but is used here to allow multiple trees to be read from the treefile, not multiple data sets to be read from the input file. In this way you can use bootstrapping on the data that estimated these trees, get multiple bootstrap estimates of the tree, and then use the M option to make multiple analyses of the contrasts and the covariances, correlations, and regressions. In this way (Felsenstein, 1988b) you can assess the effect of the inaccuracy of the trees on your estimates of these statistics.

R allows you to turn off or on the printing out of the statistics. If it is off only the contrasts will be printed out (unless option 1 is selected). With only the contrasts printed out, they are in a simple array that is in a form that many statistics packages should be able to read. The contrasts are rows, and each row has one contrast for each character. Any multivariate statistics package should be able to analyze these (but keep in mind that the contrasts have, by virtue of the way they are generated, expectation zero, so all regressions must pass through the origin). If the W option has been set to analyze within-species as well as between-species variation, the R option does not appear in the menu as the regression and correlation statistics should always be computed in that case.

As usual, the tree file has the default name intree. It should contain the desired tree or trees. These can be either in bifurcating form, or may have the bottommost fork be a trifurcation (it should not matter which of these ways you present the tree). The tree must, of course, have branch lengths.

If you have a molecular data set (for example) and also, on the same species, quantitative measurements, here is how you can allow for the uncertainty of yor estimate of the tree. Use SEQBOOT to generate multiple data sets from your molecular data. Then, whichever method you use to analyze it (the relevant ones are those that produce estimates of the branch lengths: DNAML, DNAMLK, FITCH, KITSCH, and NEIGHBOR -- the latter three require you to use DNADIST to turn the bootstrap data sets into multiple distance matrices), you should use the Multiple Data Sets option of that program. This will result in a tree file with many trees on it. Then use this tree file with the input file containing your continuous quantitative characters, choosing the Multiple Trees (M) option. You will get one set of contrasts and statistics for each tree in the tree file. At the moment there is no overall summary: you will have to tabulate these by hand. A similar process can be followed if you have restriction sites data (using RESTML) or gene frequencies data.

The statistics that are printed out include the covariances between all pairs of characters, the regressions of each character on each other (column j is regressed on row i), and the correlations between all pairs of characters. In assessing degress of freedom it is important to realize that each contrast was taken to have expectation zero, which is known because each contrast could as easily have been computed xi-xj instead of xj-xi. Thus there is no loss of a degree of freedom for estimation of a mean. The degrees of freedom is thus the same as the number of contrasts, namely one less than the number of species (tips). If you feed these contrasts into a multivariate statistics program make sure that it knows that each variable has expectation exactly zero.

Within-species variation

With the W option selected, CONTRAST analyzes data sets with variation within species, using a model like that proposed by Michael Lynch (1990). If you select the W option for within-species variation, the data set should have this structure (on the left are the data, on the right my comments:

   10    5              
Alpha        2          
 2.01 5.3 1.5  -3.41 0.3
 1.98 4.3 2.1  -2.98 0.45
Gammarus     3
 6.57 3.1 2.0  -1.89 0.6
 7.62 3.4 1.9  -2.01 0.7
 6.02 3.0 1.9  -2.03 0.6
...
number of species, number of characters
name of 1st species, # of individuals
data for individual #1
data for individual #2
name of 2nd species, # of individuals
data for individual #1
data for individual #2
data for individual #3
(and so on)

The covariances, correlations, and regressions for the "additive" (between-species evolutionary variation) and "environmental" (within-species phenotypic variation) are printed out (the maximum likelihood estimates of each). The program also estimates the within-species phenotypic variation in the case where the between-species evolutionary covariances are forced to be zero. The log-likelihoods of these two cases are compared and a likelihood ratio test (LRT) is carried out. The program prints the result of this test as a chi-square variate, and gives the number of degrees of freedom of the LRT. You have to look up the chi-square variable on a table of the chi-square distribution.

The log-likelihood of the data under the models with and without between-species For the moment the program cannot handle the case where within-species variation is to be taken into account but where only species means are available. (It can handle cases where some species have only one member in their sample).

We hope to fix this soon. We are also on our way to incorporating full-sib, half-sib, or clonal groups within species, so as to do one analysis for within-species genetic and between-species phylogenetic variation.

The data set used as an example below is the example from a paper by Michael Lynch (1990), his characters having been log-transformed. In the case where there is only one specimen per species, Lynch's model is identical to our model of within-species variation (for multiple individuals per species it is not a subcase of his model).


TEST SET INPUT

    5   2
Homo        4.09434  4.74493
Pongo       3.61092  3.33220
Macaca      2.37024  3.36730
Ateles      2.02815  2.89037
Galago     -1.46968  2.30259


TEST SET INPUT TREEFILE

((((Homo:0.21,Pongo:0.21):0.28,Macaca:0.49):0.13,Ateles:0.62):0.38,Galago:1.00);


TEST SET OUTPUT (with all numerical options on )


Continuous character contrasts analysis, version 3.6a3

   5 Populations,    2 Characters

Name                       Phenotypes
----                       ----------

Homo         4.09434   4.74493
Pongo        3.61092   3.33220
Macaca       2.37024   3.36730
Ateles       2.02815   2.89037
Galago      -1.46968   2.30259


Covariance matrix
---------- ------

    4.1991    1.3844
    1.3844    0.7125

Regressions (columns on rows)
----------- -------- -- -----

    1.0000    0.3297
    1.9430    1.0000

Correlations
------------

    1.0000    0.8004
    0.8004    1.0000

./arbsrc_9167/GDE/PHYLIP/doc/discrete.html0000644012664100000130000005015111213220011017761 0ustar arb_buildcoders discrete

version 3.6

DOCUMENTATION FOR (0,1) DISCRETE CHARACTER PROGRAMS

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

These programs are intended for the use of morphological systematists who are dealing with discrete characters, or by molecular evolutionists dealing with presence-absence data on restriction sites. One of the programs (PARS) allows multistate characters, with up to 8 states, plus the unknown state symbol "?". For the others, the characters are assumed to be coded into a series of (0,1) two-state characters. For most of the programs there are two other states possible, "P", which stands for the state of Polymorphism for both states (0 and 1), and "?", which stands for the state of ignorance: it is the state "unknown", or "does not apply". The state "P" can also be denoted by "B", for "both".

There is a method invented by Sokal and Sneath (1963) for linear sequences of character states, and fully developed for branching sequences of character states by Kluge and Farris (1969) for recoding a multistate character into a series of two-state (0,1) characters. Suppose we had a character with four states whose character-state tree had the rooted form:

               1 ---> 0 ---> 2
                      |
                      |
                      V
                      3

so that 1 is the ancestral state and 0, 2 and 3 derived states. We can represent this as three two-state characters:

                Old State           New States
                --- -----           --- ------
                    0                  001
                    1                  000
                    2                  011
                    3                  101

The three new states correspond to the three arrows in the above character state tree. Possession of one of the new states corresponds to whether or not the old state had that arrow in its ancestry. Thus the first new state corresponds to the bottommost arrow, which only state 3 has in its ancestry, the second state to the rightmost of the top arrows, and the third state to the leftmost top arrow. This coding will guarantee that the number of times that states arise on the tree (in programs MIX, MOVE, PENNY and BOOT) or the number of polymorphic states in a tree segment (in the Polymorphism option of DOLLOP, DOLMOVE, DOLPENNY and DOLBOOT) will correctly correspond to what would have been the case had our programs been able to take multistate characters into account. Although I have shown the above character state tree as rooted, the recoding method works equally well on unrooted multistate characters as long as the connections between the states are known and contain no loops.

However, in the default option of programs DOLLOP, DOLMOVE, DOLPENNY and DOLBOOT the multistate recoding does not necessarily work properly, as it may lead the program to reconstruct nonexistent state combinations such as 010. An example of this problem is given in my paper on alternative phylogenetic methods (1979).

If you have multistate character data where the states are connected in a branching "character state tree" you may want to do the binary recoding yourself. Thanks to Christopher Meacham, the package contains a program, FACTOR, which will do the recoding itself. For details see the documentation file for FACTOR.

We now also have the program PARS, which can do parsimony for unordered character states.

COMPARISON OF METHODS

The methods used in these programs make different assumptions about evolutionary rates, probabilities of different kinds of events, and our knowledge about the characters or about the character state trees. Basic references on these assumptions are my 1979, 1981b and 1983b papers, particularly the latter. The assumptions of each method are briefly described in the documentation file for the corresponding program. In most cases my assertions about what are the assumptions of these methods are challenged by others, whose papers I also cite at that point. Personally, I believe that they are wrong and I am right. I must emphasize the importance of understanding the assumptions underlying the methods you are using. No matter how fancy the algorithms, how maximum the likelihood or how minimum the number of steps, your results can only be as good as the correspondence between biological reality and your assumptions!

INPUT FORMAT

The input format is as described in the general documentation file. The input starts with a line containing the number of species and the number of characters.

In PARS, each character can have up to 8 states plus a "?" state. In any character, the first 8 symbols encountered will be taken to represent these states. Any of the digits 0-9, letters A-Z and a-z, and even symbols such as + and -, can be used (and in fact which 8 symbols are used can be different in different characters).

In the other discrete characters programs the allowable states are, 0, 1, P, B, and ?. Blanks may be included between the states (i. e. you can have a species whose data is DISCOGLOSS0 1 1 0 1 1 1). It is possible for extraneous information to follow the end of the character state data on the same line. For example, if there were 7 characters in the data set, a line of species data could read "DISCOGLOSS0110111 Hello there").

The discrete character data can continue to a new line whenever needed. The characters are not in the "aligned" or "interleaved" format used by the molecular sequence programs: they have the name and entire set of characters for one species, then the name and entire set of characters for the next one, and so on. This is known as the sequential format. Be particularly careful when you use restriction sites data, which can be in either the aligned or the sequential format for use in RESTML but must be in the sequential format for these discrete character programs.

For PARS the discrete character data can be in either Sequential or Interleaved format; the latter is the default.

Errors in the input data will often be detected by the programs, and this will cause them to issue an error message such as 'BAD OUTGROUP NUMBER: ' together with information as to which species, character, or in this case outgroup number is the incorrect one. The program will them terminate; you will have to look at the data and figure out what went wrong and fix it. Often an error in the data causes a lack of synchronization between what is in the data file and what the program thinks is to be there. Thus a missing character may cause the program to read part of the next species name as a character and complain about its value. In this type of case you should look for the error earlier in the data file than the point about which the program is complaining.

OPTIONS GENERALLY AVAILABLE

Specific information on options will be given in the documentation file associated with each program. However, some options occur in many programs. Options are selected from the menu in each program, but the Old Style programs CLIQUE and FACTOR require information to be put into the beginning of the input file (Particularly the Ancestors, Factors, Weights, and Mixtures options). The options information described here is for the other programs. See the documentation page for CLIQUE and FACTOR to find out how they get their options information.

  • The A (Ancestral states) option. This indicates that we are specifying the ancestral states for each character. In the menu the ancestors (A) option must be selected. An ancestral states input file is read, whose default name is ancestors. It contains a line or lines giving the ancestral states for each character. These may be 0, 1 or ?, the latter indicating that the ancestral state is unknown.

    An example is:

    001??11

    The ancestor information can be continued to a new line and can have blanks between any of the characters in the same way that species character data can. In the program CLIQUE the ancestor is instead to be included as a regular species and no A option is available.

  • The F (Factors) option. This is used in programs MOVE, DOLMOVE, and FACTOR. It specifies which binary characters correspond to which multistate characters. To use the F option you choose the F option in the program menu. After that the program will read a factors file (default name factors Which consists of a line or lines containing a symbol for each binary character. The symbol can be anything, provided that it is the same for binary characters that correspond to the same multistate character, and changes between multistate characters. A good practice is to make it the lower-order digit of the number of the multistate character.

    For example, if there were 20 binary characters that had been generated by nine multistate characters having respectively 4, 3, 3, 2, 1, 2, 2, 2, and 1 binary factors you would make the factors file be:

    11112223334456677889

    although it could equivalently be:

    aaaabbbaaabbabbaabba

    All that is important is that the symbol for each binary character change only when adjacent binary characters correspond to different mutlistate characters. The factors file contents can continue to a new line at any time except during the initial characters filling out the length of a species name.

    In programs CLIQUE and FACTOR the factors information is given in the Old Style system of putting that information into the input data file. The method for doing so is described in the documentation files for these programs. We hope to change this in the next release to use an input factors file.

  • The J (Jumble) option. This causes the species to be entered into the tree in a random order rather than in their order in the input file. The program prompts you for a random number seed. This option is described in the main documentation file.

  • The M (Multiple data sets) option. This has also been described in the main documentation file. It is not to be confused with the M option specified in the input file, which is the Mixture of methods option (yes, I know this is confusing).

  • The O (outgroup) option. This has also already been discussed in the general documentation file. It specifies the number of the particular species which will be used as the outgroup in rerooting the final tree when it is printed out. It will not have any effect if the tree is already rooted or is a user-defined tree. This option is not available in DOLLOP, DOLMOVE, or DOLPENNY, which always infer a rooted tree, or CLIQUE, which requires you to work out the rerooting by hand. The menu selection will cause you to be prompted for the number of the outgroup.

  • The T (threshold) option. This sets a threshold such that if the number of steps counted in a character is higher than the threshold, it will be taken to be the threshold value rather than the actual number of steps. This option has already been described in the main documentation file. The user is prompted for the threshold value. My 1981 paper (Felsenstein, 1981b) explains the logic behind the Threshold option, which is an attarctive alternative to successive weighting of characters.

  • The U (User tree) option. This has already been described in the main documentation file. For all of these programs user trees are to be specified as bifurcating trees, even in the cases where the tree that is inferred by the programs is to be regarded as unrooted.

  • The W (Weights) option. This allows us to specify weights on the characters, including the possibility of omitting characters from the analysis. It has already been described in the main documentation file. If the Weights option is used there must be a W on the first line of the input file.

  • The X (miXture) option. In the programs MIX, MOVE, and PENNY the user can specify for each character which parsimony method is in effect. This is done by selecting menu option X (not M) and having an input mixture file, whose default name is mixture. It contains a line or lines with and one letter for each character. These letters are C or S if the character is to be reconstructed according to Camin-Sokal parsimony, W or ? if the character is to be reconstructed according to Wagner parsimony. So if there are 20 characters the line giving the mixture might look like this:

    WWWCC WWCWC
    

    Note that blanks in the seqence of characters (after the first ones that are as long as the species names) will be ignored, and the information can go on to a new line at any point. So this could equally well have been specified by

    WW
    CCCWWCWC
    

30! 1 2 1 1 1 2 1 3 1 1 40! 1

The numbers across the top and down the side indicate which character is being referred to. Thus character 23 is column "3" of row "20" and has 2 steps in this case.

I cannot emphasize too strongly that just because the tree diagram which the program prints out contains a particular branch DOES NOT MEAN THAT WE HAVE EVIDENCE THAT THE BRANCH IS OF NONZERO LENGTH. In program PARS the branches have lengths estimated and there can be trifurcations, but in all other discrete characters programs the procedure which prints out the tree cannot cope with a trifurcation, nor can the internal data structures used in my programs. Therefore, even when we have no resolution and a multifurcation, successive bifurcations will be printed out, although some of the branches shown will in fact actually be of zero length. To find out which, you will have to work out character by character where the placements of the changes on the tree are, under all possible ways that the changes can be placed on that tree.

In PARS the trees are truly multifurcating, and the search is over both bifurcating and multifurcating trees. A branch is retained in a tree only if there is at least one character, under at least one possible most parsimonious reconstruction of the placement of changes, that has a change in that branch. This means that two branches can both be present which are, however, not both in existence at the same time (in that there is no most parsimonious reconstruction of changes n the characters that has changes in both these branches at the same time).

In PARS, MIX, PENNY, DOLLOP, and DOLPENNY the trees will be (if the user selects the option to see them) accompanied by tables showing the reconstructed states of the characters in the hypothetical ancestral nodes in the interior of the tree. This will enable you to reconstruct where the changes were in each of the characters. In some cases the state shown in an interior node will be "?", which means that either 0 or 1 would be possible at that point. In such cases you have to work out the ambiguity by hand. A unique assignment of locations of changes is often not possible in the case of the Wagner parsimony method. There may be multiple ways of assigning changes to segments of the tree with that method. Printing only one would be misleading, as it might imply that certain segments of the tree had no change, when another equally valid assignment would put changes there. It must be emphasized that all these multiple assignments have exactly equal numbers of total changes, so that none is preferred over any other.

I have followed the convention of having a "." printed out in the table of character states of the hypothetical ancestral nodes whenever a state is 0 or 1 and its immediate ancestor is the same. This has the effect of highlighting the places where changes might have occurred and making it easy for the user to reconstruct all the alternative patterns of the characters states in the hypothetical ancestral nodes. In PARS you can, using the menu, turn off this dot-differencing convention and see all states at all hypothetical ancestral nodes of the tree.

On the line in that table corresponding to each branch of the tree will also be printed "yes", "no" or "maybe" as an answer to the question of whether this branch is of nonzero length. If there is no evidence that any character has changed in that branch, then "no" will be printed. If there is definite evidence that one has changed, then "yes" will be printed. If the matter is ambiguous, then "maybe" will be printed. You should keep in mind that all of these conclusions assume that we are only interested in the assignment of states that requires the least amount of change. In reality, the confidence limit on tree topology usually includes many different topologies, and presumably also then the confidence limits on amounts of change in branches are also very broad.

In addition to the table showing numbers of events, a table may be printed out showing which ancestral state causes the fewest events for each occurred and making it easy for the user to reconstruct all the alternative patterns of the characters states in the hypothetical ancestral nodes. In PARS you can, using the menu, turn off this dot-differencing convention and see all states at all hypothetical ancestral nodes of the tree.

On the line in that table corresponding to each branch of the tree will also be printed "yes", "no" or "maybe" as an answer to the question of whether this branch is of nonzero length. If there is no evidence that any character has changed in that branch, then "no" will be printed. If there is definite evidence that one has changed, then "yes" will be printed. If the matter is ambiguous, then "maybe" will be printed. You should keep in mind that all of these conclusions assume that we are only interested in the assignment of states that requires the least amount of change. In reality, the confidence limit on tree topology usually includes many different topologies, and presumably also then the confidence limits on amounts of change in branches are also very broad.

In addition to the table showing numbers of events, a table may be printed out showing which ancestral state causes the fewest events for each character. This will not always be done, but only when the tree is rooted and some ancestral states are unknown. This can be used to infer states of ancestors. For example, if you use the O (Outgroup) and A (Ancestral states) options together, with at least some of the ancestral states being given as "?", then inferences will be made for those characters, as the outgroup makes the tree rooted if it was not already.

In programs MIX and PENNY, if you are using the Camin-Sokal parsimony option with ancestral state "?" and it turns out that the program cannot decide between ancestral states 0 and 1, it will fail to even attempt reconstruction of states of the hypothetical ancestors, printing them all out as "." for those characters. This is done for internal bookkeeping reasons -- to reconstruct their changes would require a fair amount of additional code and additional data structures. It is not too hard to reconstruct the internal states by hand, trying the two possible ancestral states one after the other. A similar comment applies to the use of ancestral state "?" in the Dollo or Polymorphism parsimony methods (programs DOLLOP and DOLPENNY) which also can result in a similar hesitancy to print the estimate of the states of the hypothetical ancestors. In all of these cases the program will print "?" rather than "no" when it describes whether there are any changes in a branch, since there might or might not be changes in those characters which are not reconstructed.

For further information see the documentation files for the individual programs. ./arbsrc_9167/GDE/PHYLIP/doc/distance.html0000644012664100000130000004034411213220011017754 0ustar arb_buildcoders distance

version 3.6

Distance matrix programs

© Copyright 1986-2000 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

The programs FITCH, KITSCH, and NEIGHBOR are for dealing with data which comes in the form of a matrix of pairwise distances between all pairs of taxa, such as distances based on molecular sequence data, gene frequency genetic distances, amounts of DNA hybridization, or immunological distances. In analyzing these data, distance matrix programs implicitly assume that:

  1. Each distance is measured independently from the others: no item of data contributes to more than one distance.
  2. The distance between each pair of taxa is drawn from a distribution with an expectation which is the sum of values (in effect amounts of evolution) along the tree from one tip to the other. The variance of the distribution is proportional to a power p of the expectation.

These assumptions can be traced in the least squares methods of programs FITCH and KITSCH but it is not quite so easy to see them in operation in the Neighbor-Joining method of NEIGHBOR, where the independence assumptions is less obvious.

THESE TWO ASSUMPTIONS ARE DUBIOUS IN MOST CASES: independence will not be expected to be true in most kinds of data, such as genetic distances from gene frequency data. For genetic distance data in which pure genetic drift without mutation can be assumed to be the mechanism of change CONTML may be more appropriate. However, FITCH, KITSCH, and NEIGHBOR will not give positively misleading results (they will not make a statistically inconsistent estimate) provided that additivity holds, which it will if the distance is computed from the original data by a method which corrects for reversals and parallelisms in evolution. If additivity is not expected to hold, problems are more severe. A short discussion of these matters will be found in a review article of mine (1984a). For detailed, if sometimes irrelevant, controversy see the papers by Farris (1981, 1985, 1986) and myself (1986, 1988b).

For genetic distances from gene frequencies, FITCH, KITSCH, and NEIGHBOR may be appropriate if a neutral mutation model can be assumed and Nei's genetic distance is used, or if pure drift can be assumed and either Cavalli-Sforza's chord measure or Reynolds, Weir, and Cockerham's (1983) genetic distance is used. However, in the latter case (pure drift) CONTML should be better.

Restriction site and restriction fragment data can be treated by distance matrix methods if a distance such as that of Nei and Li (1979) is used. Distances of this sort can be computed in PHYLIp by the program RESTDIST.

For nucleic acid sequences, the distances computed in DNADIST allow correction for multiple hits (in different ways) and should allow one to analyse the data under the presumption of additivity. In all of these cases independence will not be expected to hold. DNA hybridization and immunological distances may be additive and independent if transformed properly and if (and only if) the standards against which each value is measured are independent. (This is rarely exactly true).

FITCH and the Neighbor-Joining option of NEIGHBOR fit a tree which has the branch lengths unconstrained. KITSCH and the UPGMA option of NEIGHBOR, by contrast, assume that an "evolutionary clock" is valid, according to which the true branch lengths from the root of the tree to each tip are the same: the expected amount of evolution in any lineage is proportional to elapsed time.

The input format for distance data is straightforward. The first line of the input file contains the number of species. There follows species data, starting, as with all other programs, with a species name. The species name is ten characters long, and must be padded out with blanks if shorter. For each species there then follows a set of distances to all the other species (options selected in the programs' menus allow the distance matrix to be upper or lower triangular or square). The distances can continue to a new line after any of them. If the matrix is lower-triangular, the diagonal entries (the distances from a species to itself) will not be read by the programs. If they are included anyway, they will be ignored by the programs, except for the case where one of them starts a new line, in which case the program will mistake it for a species name and get very confused.

For example, here is a sample input matrix, with a square matrix:

     5
Alpha      0.000 1.000 2.000 3.000 3.000
Beta       1.000 0.000 2.000 3.000 3.000
Gamma      2.000 2.000 0.000 3.000 3.000
Delta      3.000 3.000 0.000 0.000 1.000
Epsilon    3.000 3.000 3.000 1.000 0.000

and here is a sample lower-triangular input matrix with distances continuing to new lines as needed:

   14
Mouse     
Bovine      1.7043
Lemur       2.0235  1.1901
Tarsier     2.1378  1.3287  1.2905
Squir Monk  1.5232  1.2423  1.3199  1.7878
Jpn Macaq   1.8261  1.2508  1.3887  1.3137  1.0642
Rhesus Mac  1.9182  1.2536  1.4658  1.3788  1.1124  0.1022
Crab-E.Mac  2.0039  1.3066  1.4826  1.3826  0.9832  0.2061  0.2681
BarbMacaq   1.9431  1.2827  1.4502  1.4543  1.0629  0.3895  0.3930  0.3665
Gibbon      1.9663  1.3296  1.8708  1.6683  0.9228  0.8035  0.7109  0.8132
  0.7858
Orang       2.0593  1.2005  1.5356  1.6606  1.0681  0.7239  0.7290  0.7894
  0.7140  0.7095
Gorilla     1.6664  1.3460  1.4577  1.5935  0.9127  0.7278  0.7412  0.8763
  0.7966  0.5959  0.4604
Chimp       1.7320  1.3757  1.7803  1.7119  1.0635  0.7899  0.8742  0.8868
  0.8288  0.6213  0.5065  0.3502
Human       1.7101  1.3956  1.6661  1.7599  1.0557  0.6933  0.7118  0.7589
  0.8542  0.5612  0.4700  0.3097  0.2712

Note that the name "Mouse" in this matrix must be padded out by blanks to the full length of 10 characters.

In general the distances are assumed to all be present: at the moment there is only one way we can have missing entries in the distance matrix. If the S option (which allows the user to specify the degree of replication of each distance) is invoked, with some of the entries having degree of replication zero, if the U (User Tree) option is in effect, and if the tree being examined is such that every branch length can be estimated from the data, it will be possible to solve for the branch lengths and sum of squares when there is some missing data. You may not get away with this if the U option is not in effect, as a tree may be tried on which the program will calculate a branch length by dividing zero by zero, and get upset.

The present version of NEIGHBOR does allow the Subreplication option to be used and the number of replicates to be in the input file, but it actally does nothing with this information except read it in. It makes use of the average distances in the cells of the input data matrix. This means that you cannot use the S option to treat zero cells. We hope to modify NEIGHBOR in the future to allow Subreplication. Of course the U (User tree) option is not available in NEIGHBOR in any case.

The present versions of FITCH and KITSCH will do much better on missing values than did previous versions, but you will still have to be careful about them. Nevertheless you might (just) be able to explore relevant alternative tree topologies one at a time using the U option when there is missing data.

Alternatively, if the missing values in one cell always correspond to a cell with non-missing values on the opposite side of the main diagonal (i.e., if D(i,j) missing implies that D(j,i) is not missing), then use of the S option will always be sufficient to cope with missing values. When it is used, the missing distances should be entered as if present (any number can be used) and the degree of replication for them should be given as 0.

Note that the algorithm for searching among topologies in FITCH and KITSCH is the same one used in other programs, so that it is necessary to try different orders of species in the input data. The J (Jumble) menu option may be sufficient for most purposes.

The programs FITCH and KITSCH carry out the method of Fitch and Margoliash (1967) for fitting trees to distance matrices. They also are able to carry out the least squares method of Cavalli-Sforza and Edwards (1967), plus a variety of other methods of the same family (see the discussion of the P option below). They can also be set to use the Minimum Evolution method (Nei and Rzhetsky, 1993; Kidd and Sgaramella-Zonta, 1971).

The objective of these methods is to find that tree which minimizes

                      __  __
                      \   \    nij ( Dij  - dij)2  
  Sum of squares  =   /_  /_  ------------------
                       i   j       Dijp

(the symbol made up of \, / and _ characters is of course a summation sign) where D is the observed distance between species i and j and d is the expected distance, computed as the sum of the lengths (amounts of evolution) of the segments of the tree from species i to species j. The quantity n is the number of times each distance has been replicated. In simple cases this is taken to be one, but the user can, as an option, specify the degree of replication for each distance. The distance is then assumed to be a mean of those replicates. The power P is what distinguished the various methods. For the Fitch- Margoliash method, which is the default method with this program, P is 2.0. For the Cavalli-Sforza and Edwards least squares method it should be set to 0 (so that the denominator is always 1). An intermediate method is also available in which P is 1.0, and any other value of P, such as 4.0 or -2.3, can also be used. This generates a whole family of methods.

The P (Power) option is not available in the Neighbor-Joining program NEIGHBOR. Implicitly, in this program P is 0.0 (though it is hard to prove this). The UPGMA option of NEIGHBOR will assign the same branch lengths to the particular tree topology that it finds as will KITSCH when given the same tree and Power = 0.0.

All these methods make the assumptions of additivity and independent errors. The difference between the methods is how they weight departures of observed from expected. In effect, these methods differ in how they assume that the variance of measurement of a distance will rise as a function of the expected value of the distance.

These methods assume that the variance of the measurement error is proportional to the P-th power of the expectation (hence the standard deviation will be proportional to the P/2-th power of the expectation). If you have reason to think that the measurement error of a distance is the same for small distances as it is for large, then you should set P=0 and use the least squares method, but if you have reason to think that the relative (percentage) error is more nearly constant than the absolute error, you should use P=2, the Fitch-Margoliash method. In between, P=1 would be appropriate if the sizes of the errors were proportional to the square roots of the expected distance.

One question which arises frequently is what the units of branch length are in the resulting trees. In general, they are not time but units of distance. Thus if two species have a distance 0.3 between them, they will tend to be separated by branches whose total length is about 0.3. In the case of DNA distances, for example, the unit of branch length will be subsxtitutions per base. (In the case of protein distances, it will be amino acid substitutions per amino acid posiiton. tend to be sd

OPTIONS

Here are the options available in all three programs. They are selected using the menu of options.

U
the User tree option. The trees in FITCH are regarded as unrooted, and are specified with a trifurcation (three-way split) at their base: e. g.:

((A,B),C,(D,E));

while in KITSCH they are to be regarded as rooted and have a bifurcation at the base:

((A,B),(C,(D,E)));

Be careful not to move User trees from FITCH to KITSCH without changing their form appropriately (you can use RETREE to do this). User trees are not available in NEIGHBOR. In FITCH if you specify the branch lengths on one or more branches, you can select the L (use branch Lengths) option to avoid having those branches iterated, so that the tree is evaluated with their lengths fixed.

P
indicates that you are going to set the Power (P in the above formula). The default value is 2 (the Fitch-Margoliash method). The power, a real number such as 1.0, is prompted for by the programs. This option is not available in NEIGHBOR.

-
indicates that negative segment lengths are to be allowed in the tree (default is to require that all branch lengths be nonnegative). This option is not available in NEIGHBOR.

O
is the usual Outgroup option, available in FITCH and NEIGHBOR but not in KITSCH, nor when the UPGMA option of NEIGHBOR is used.

L
indicates that the distance matrix is input in Lower-triangular form (the lower-left half of the distance matrix only, without the zero diagonal elements).

R
indicates that the distance matrix is input in uppeR-triangular form (the upper-right half of the distance matrix only, without the zero diagonal elements).

S
is the Subreplication option. It informs the program that after each distance will be provided an integer indicating that the distance is a mean of that many replicates. There is no auxiliary information, but the presence of the S option indicates that the data will be in a different form. Each distance must be followed by an integer indicating the number of replicates, so that a line of data looks like this:

Delta      3.00 5  3.21 3  1.84 9

the 5, 3, and 9 being the number of times the measurement was replicated. When the number of replicates is zero, a distance value must still be provided, although its vale will not afect the result. This option is not available in NEIGHBOR.

G
is the usual Global branch-swapping option. It is available in FITCH and KITSCH but is not relevant to NEIGHBOR.

J
indicates the usual J (Jumble) option for entering species in a random order. In FITCH and KITSCH if you do multiple jumbles in one run the program will print out the best tree found overall.

M
is the usal Multiple data sets option, available in all of these programs. It allows us (when the output tree file is analyzed in CONSENSE) to do a bootstrap (or delete-half-jackknife) analysis with the distance matrix{ programs.

The numerical options are the usual ones and should be clear from the menu.

Note that when the options L or R are used one of the species, the first or last one, will have its name on an otherwise empty line. Even so, the name should be padded out to full length with blanks. Here is a sample lower- triangular data set.

     5
Alpha      
Beta       1.00
Gamma      3.00 3.00
Delta      3.00 3.00 2.00
Epsilon    3.00 3.00 2.00 1.00
<--- note: five blanks should follow the name "Alpha"



Be careful if you are using lower- or upper-triangular trees to make the corresponding selection from the menu (L or R), as the program may get horribly confused otherwise, but it still gives a result even though the result is then meaningless. With the menu option selected all should be well. ./arbsrc_9167/GDE/PHYLIP/doc/dnacomp.html0000644012664100000130000002704511213220011017606 0ustar arb_buildcoders dnacomp

version 3.6

DNACOMP -- DNA Compatibility Program

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the compatibility method for DNA sequence data. For a four-state character without a character-state tree, as in DNA sequences, the usual clique theorems cannot be applied. The approach taken in this program is to directly evaluate each tree topology by counting how many substitutions are needed in each site, comparing this to the minimum number that might be needed (one less than the number of bases observed at that site), and then evaluating the number of sites which achieve the minimum number. This is the evaluation of the tree (the number of compatible sites), and the topology is chosen so as to maximize that number.

Compatibility methods originated with Le Quesne's (1969) suggestion that one ought to look for trees supported by the largest number of perfectly fitting (compatible) characters. Fitch (1975) showed by counterexample that one could not use the pairwise compatibility methods used in CLIQUE to discover the largest clique of jointly compatible characters.

The assumptions of this method are similar to those of CLIQUE. In a paper in the Biological Journal of the Linnean Society (1981b) I discuss this matter extensively. In effect, the assumptions are that:

  1. Each character evolves independently.
  2. Different lineages evolve independently.
  3. The ancestral base at each site is unknown.
  4. The rates of change in most sites over the time spans involved in the the divergence of the group are very small.
  5. A few of the sites have very high rates of change.
  6. We do not know in advance which are the high and which the low rate sites.

That these are the assumptions of compatibility methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that arguments such as mine are invalid and that parsimony (and perhaps compatibility) methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b, 1988), but also read the exchange between Felsenstein and Sober (1986).

There is, however, some reason to believe that the present criterion is not the proper way to correct for the presence of some sites with high rates of change in nucleotide sequence data. It can be argued that sites showing more than two nucleotide states, even if those are compatible with the other sites, are also candidates for sites with high rates of change. It might then be more proper to use DNAPARS with the Threshold option with a threshold value of 2.

Change from an occupied site to a gap is counted as one change. Reversion from a gap to an occupied site is allowed and is also counted as one change. Note that this in effect assumes that a gap N bases long is N separate events. This may be an overcorrection. When we have nonoverlapping gaps, we could instead code a gap as a single event by changing all but the first "-" in the gap into "?" characters. In this way only the first base of the gap causes the program to infer a change.

The input data is standard. The first line of the input file contains the number of species and the number of sites.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:


DNA compatibility algorithm, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4  Print steps & compatibility at sites  No
  5  Print sequences at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options U, J, O, W, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The O (outgroup) option has no effect if the U (user-defined tree) option is in effect. The user-defined trees (option U) fed in must be strictly bifurcating, with a two-way split at their base.

The interpretation of weights (option W) in the case of a compatibility method is that they count how many times the character (in this case the site) is counted in the analysis. Thus a character can be dropped from the analysis by assigning it zero weight. On the other hand, giving it a weight of 5 means that in any clique it is in, it is counted as 5 characters when the size of the clique is evaluated. Generally, weights other than 0 or 1 do not have much meaning when dealing with DNA sequences.

Output is standard: if option 1 is toggled on, the data is printed out, with the convention that "." means "the same as in the first species". Then comes a list of equally parsimonious trees, and (if option 2 is toggled on) a table of the number of changes of state required in each character. If option 5 is toggled on, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" or one of the IUB ambiguity symbols, there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand. A "?" in the reconstructed states means that in addition to one or more bases, a gap may or may not be present. If option 6 is left in its default state the trees found will be written to a tree file, so that they are available to be used in other programs.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of weighted compatibility differences between trees, taken across sites. If the two trees compatibilities are more than 1.96 standard deviations different then the trees are declared significantly different.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sum of weighted compatibilities of sites are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected compatibility, compatibilities for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest compatibility exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the compatibility of each tree, the differences of each from the highest one, the variance of that quantity as determined by the compatibility differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one.

The algorithm is a straightforward modification of DNAPARS, but with some extra machinery added to calculate, as each species is added, how many base changes are the minimum which could be required at that site. The program runs fairly quickly.

The constants which can be changed at the beginning of the program are: the name length "nmlngth", "maxtrees", the maximum number of trees which the program will store for output, and "maxuser", the maximum number of user trees that can be used in the paired sites test.


TEST DATA SET

    5   13
Alpha     AACGUGGCCAAAU
Beta      AAGGUCGCCAAAC
Gamma     CAUUUCGUCACAA
Delta     GGUAUUUCGGCCU
Epsilon   GGGAUCUCGGCCC

CONTENTS OF OUTPUT FILE (if all numerical options are turned on)


DNA compatibility algorithm, version 3.6a3

 5 species,  13  sites

Name            Sequences
----            ---------

Alpha        AACGUGGCCA AAU
Beta         AAGGUCGCCA AAC
Gamma        CAUUUCGUCA CAA
Delta        GGUAUUUCGG CCU
Epsilon      GGGAUCUCGG CCC



One most parsimonious tree found:




           +--Epsilon   
        +--4  
     +--3  +--Delta     
     !  !  
  +--2  +-----Gamma     
  !  !  
  1  +--------Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


total number of compatible sites is       11.0

steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       2   1   3   2   0   2   1   1   1
   10|   1   1   1   3                        

 compatibility (Y or N) of each site with this tree:

      0123456789
     *----------
   0 ! YYNYYYYYY
  10 !YYYN      

From    To     Any Steps?    State at upper node
                            
          1                AABGTSGCCA AAY
   1      2        maybe   AABGTCGCCA AAY
   2      3         yes    VAKDTCGCCA CAY
   3      4         yes    GGKATCTCGG CCY
   4   Epsilon     maybe   GGGATCTCGG CCC
   4   Delta        yes    GGTATTTCGG CCT
   3   Gamma        yes    CATTTCGTCA CAA
   2   Beta        maybe   AAGGTCGCCA AAC
   1   Alpha       maybe   AACGTGGCCA AAT


./arbsrc_9167/GDE/PHYLIP/doc/dnadist.html0000644012664100000130000005760611213220011017621 0ustar arb_buildcoders dnadist

version 3.6

DNADIST -- Program to compute distance matrix
from nucleotide sequences

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program uses nucleotide sequences to compute a distance matrix, under four different models of nucleotide substitution. It can also compute a table of similarity between the nucleotide sequences. The distance for each pair of species estimates the total branch length between the two species, and can be used in the distance matrix programs FITCH, KITSCH or NEIGHBOR. This is an alternative to use of the sequence data itself in the maximum likelihood program DNAML or the parsimony program DNAPARS.

The program reads in nucleotide sequences and writes an output file containing the distance matrix, or else a table of similarity between sequences. The four models of nucleotide substitution are those of Jukes and Cantor (1969), Kimura (1980), the F84 model (Kishino and Hasegawa, 1989; Felsenstein and Churchill, 1996), and the model underlying the LogDet distance (Barry and Hartigan, 1987; Lake, 1994; Steel, 1994; Lockhart et. al., 1994). All except the LogDet distance can be made to allow for for unequal rates of substitution at different sites, as Jin and Nei (1990) did for the Jukes-Cantor model. The program correctly takes into account a variety of sequence ambiguities, although in cases where they exist it can be slow.

Jukes and Cantor's (1969) model assumes that there is independent change at all sites, with equal probability. Whether a base changes is independent of its identity, and when it changes there is an equal probability of ending up with each of the other three bases. Thus the transition probability matrix (this is a technical term from probability theory and has nothing to do with transitions as opposed to transversions) for a short period of time dt is:

              To:    A        G        C        T
                   ---------------------------------
               A  | 1-3a      a         a       a
       From:   G  |  a       1-3a       a       a
               C  |  a        a        1-3a     a
               T  |  a        a         a      1-3a

where a is u dt, the product of the rate of substitution per unit time (u) and the length dt of the time interval. For longer periods of time this implies that the probability that two sequences will differ at a given site is:

      p = 3/4 ( 1 - e- 4/3 u t)

and hence that if we observe p, we can compute an estimate of the branch length ut by inverting this to get

     ut = - 3/4 loge ( 1 - 4/3 p )

The Kimura "2-parameter" model is almost as symmetric as this, but allows for a difference between transition and transversion rates. Its transition probability matrix for a short interval of time is:

              To:     A        G        C        T
                   ---------------------------------
               A  | 1-a-2b     a         b       b
       From:   G  |   a      1-a-2b      b       b
               C  |   b        b       1-a-2b    a
               T  |   b        b         a     1-a-2b

where a is u dt, the product of the rate of transitions per unit time and dt is the length dt of the time interval, and b is v dt, the product of half the rate of transversions (i.e., the rate of a specific transversion) and the length dt of the time interval.

The F84 model incorporates different rates of transition and transversion, but also allowing for different frequencies of the four nucleotides. It is the model which is used in DNAML, the maximum likelihood nucelotide sequence phylogenies program in this package. You will find the model described in the document for that program. The transition probabilities for this model are given by Kishino and Hasegawa (1989), and further explained in a paper by me and Gary Churchill (1996).

The LogDet distance allows a fairly general model of substitution. It computes the distance from the determinant of the empirically observed matrix of joint probabilities of nucleotides in the two species. An explanation of it is available in the chapter by Swofford et, al. (1996).

The first three models are closely related. The DNAML model reduces to Kimura's two-parameter model if we assume that the equilibrium frequencies of the four bases are equal. The Jukes-Cantor model in turn is a special case of the Kimura 2-parameter model where a = b. Thus each model is a special case of the ones that follow it, Jukes-Cantor being a special case of both of the others.

The Jin and Nei (1990) correction for variation in rate of evolution from site to site can be adapted to all of the first three models. It assumes that the rate of substitution varies from site to site according to a gamma distribution, with a coefficient of variation that is specified by the user. The user is asked for it when choosing this option in the menu.

Each distance that is calculated is an estimate, from that particular pair of species, of the divergence time between those two species. For the Jukes- Cantor model, the estimate is computed using the formula for ut given above, as long as the nucleotide symbols in the two sequences are all either A, C, G, T, U, N, X, ?, or - (the latter four indicate a deletion or an unknown nucleotide. This estimate is a maximum likelihood estimate for that model. For the Kimura 2-parameter model, with only these nucleotide symbols, formulas special to that estimate are also computed. These are also, in effect, computing the maximum likelihood estimate for that model. In the Kimura case it depends on the observed sequences only through the sequence length and the observed number of transition and transversion differences between those two sequences. The calculation in that case is a maximum likelihood estimate and will differ somewhat from the estimate obtained from the formulas in Kimura's original paper. That formula was also a maximum likelihood estimate, but with the transition/transversion ratio estimated empirically, separately for each pair of sequences. In the present case, one overall preset transition/transversion ratio is used which makes the computations harder but achieves greater consistency between different comparisons.

For the F84 model, or for any of the models where one or both sequences contain at least one of the other ambiguity codons such as Y, R, etc., a maximum likelihood calculation is also done using code which was originally written for DNAML. Its disadvantage is that it is slow. The resulting distance is in effect a maximum likelihood estimate of the divergence time (total branch length between) the two sequences. However the present program will be much faster than versions earlier than 3.5, because I have speeded up the iterations.

The LogDet model computes the distance from the determinant of the matrix of co-occurrence of nucleotides in the two species, according to the formula

   D  = - 1/4(loge(|F|) - 1/2loge(fA1fC1fG1fT1fA2fC2fG2fT2))
Where F is a matrix whose (i,j) element is the fraction of sites at which base i occurs in one species and base j occurs in the other. fji is the fraction of sites at which species i has base j. The LogDet distance cannot cope with ambiguity codes. It must have completely defined sequences. One limitation of the LogDet distance is that it may be infinite sometimes, if there are too many changes between certain pairs of nucleotides. This can be particularly noticeable with distances computed from bootstrapped sequences.

Note that there is an assumption that we are looking at all sites, including those that have not changed at all. It is important not to restrict attention to some sites based on whether or not they have changed; doing that would bias the distances by making them too large, and that in turn would cause the distances to misinterpret the meaning of those sites that had changed.

For all of these distance methods, the program allows us to specify that "third position" bases have a different rate of substitution than first and second positions, that introns have a different rate than exons, and so on. The Categories option which does this allows us to make up to 9 categories of sites and specify different rates of change for them.

In addition to the four distance calculations, the program can also compute a table of similarities between nucleotide sequences. These values are the fractions of sites identical between the sequences. The diagonal values are 1.0000. No attempt is made to count similarity of nonidentical nucleotides, so that no credit is given for having (for example) different purines at corresponding sites in the two sequences. This option has been requested by many users, who need it for descriptive purposes. It is not intended that the table be used for inferring the tree.

INPUT FORMAT AND OPTIONS

Input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of sites.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion -- neither is dot (".").

The options are selected using an interactive menu. The menu looks like this:


Nucleic acid sequence Distance Matrix program, version 3.6a3

Settings for this run:
  D  Distance (F84, Kimura, Jukes-Cantor, LogDet)?  F84
  G          Gamma distributed rates across sites?  No
  T                 Transition/transversion ratio?  2.0
  C            One category of substitution rates?  Yes
  W                         Use weights for sites?  No
  F                Use empirical base frequencies?  Yes
  L                       Form of distance matrix?  Square
  M                    Analyze multiple data sets?  No
  I                   Input sequences interleaved?  Yes
  0            Terminal type (IBM PC, ANSI, none)?  (none)
  1             Print out the data at start of run  No
  2           Print indications of progress of run  Yes

  Y to accept these or type the letter for one to change

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The D option selects one of the four distance methods, or the similarity table. It toggles among the five methods. The default method, if none is specified, is the F84 model.

If the G (Gamma distribution) option is selected, the user will be asked to supply the coefficient of variation of the rate of substitution among sites. This is different from the parameters used by Nei and Jin but related to them: their parameter a is also known as "alpha", the shape parameter of the Gamma distribution. It is related to the coefficient of variation by

     CV = 1 / a1/2

or

     a = 1 / (CV)2

(their parameter b is absorbed here by the requirement that time is scaled so that the mean rate of evolution is 1 per unit time, which means that a = b). As we consider cases in which the rates are less variable we should set a larger and larger, as CV gets smaller and smaller.

The F (Frequencies) option appears when the Maximum Likelihood distance is selected. This distance requires that the program be provided with the equilibrium frequencies of the four bases A, C, G, and T (or U). Its default setting is one which may save users much time. If you want to use the empirical frequencies of the bases, observed in the input sequences, as the base frequencies, you simply use the default setting of the F option. These empirical frequencies are not really the maximum likelihood estimates of the base frequencies, but they will often be close to those values (what they are is maximum likelihood estimates under a "star" or "explosion" phylogeny). If you change the setting of the F option you will be prompted for the frequencies of the four bases. These must add to 1 and are to be typed on one line separated by blanks, not commas.

The T option in this program does not stand for Threshold, but instead is the Transition/transversion option. The user is prompted for a real number greater than 0.0, as the expected ratio of transitions to transversions. Note that this is not the ratio of the first to the second kinds of events, but the resulting expected ratio of transitions to transversions. The exact relationship between these two quantities depends on the frequencies in the base pools. The default value of the T parameter if you do not use the T option is 2.0.

The C option allows user-defined rate categories. The user is prompted for the number of user-defined rates, and for the rates themselves, which cannot be negative but can be zero. These numbers, which must be nonnegative (some could be 0), are defined relative to each other, so that if rates for three categories are set to 1 : 3 : 2.5 this would have the same meaning as setting them to 2 : 6 : 5. The assignment of rates to sites is then made by reading a file whose default name is "categories". It should contain a string of digits 1 through 9. A new line or a blank can occur after any character in this string. Thus the categories file might look like this:

122231111122411155
1155333333444

The L option specifies that the output file is to have the distance matrix in lower triangular form.

The W (Weights) option is invoked in the usual way, with only weights 0 and 1 allowed. It selects a set of sites to be analyzed, ignoring the others. The sites selected are those with weight 1. If the W option is not invoked, all sites are analyzed. The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file.

The M (multiple data sets) option will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets from the input file. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights. Note also that when we use multiple weights for bootstrapping we can also then maintain different rate categories for different sites in a meaningful way. You should not use the multiple data sets option without using multiple weights, you should not at the same time use the user-defined rate categories option (option C).

The options 0 is the usual one. It is described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

OUTPUT FORMAT

As the distances are computed, the program prints on your screen or terminal the names of the species in turn, followed by one dot (".") for each other species for which the distance to that species has been computed. Thus if there are ten species, the first species name is printed out, followed by nine dots, then on the next line the next species name is printed out followed by eight dots, then the next followed by seven dots, and so on. The pattern of dots should form a triangle. When the distance matrix has been written out to the output file, the user is notified of that.

The output file contains on its first line the number of species. The distance matrix is then printed in standard form, with each species starting on a new line with the species name, followed by the distances to the species in order. These continue onto a new line after every nine distances. If the L option is used, the matrix or distances is in lower triangular form, so that only the distances to the other species that precede each species are printed. Otherwise the distance matrix is square with zero distances on the diagonal. In general the format of the distance matrix is such that it can serve as input to any of the distance matrix programs.

If the option to print out the data is selected, the output file will precede the data by more complete information on the input and the menu selections. The output file begins by giving the number of species and the number of characters, and the identity of the distance measure that is being used.

If the C (Categories) option is used a table of the relative rates of expected substitution at each category of sites is printed, and a listing of the categories each site is in.

There will then follow the equilibrium frequencies of the four bases. If the Jukes-Cantor or Kimura distances are used, these will necessarily be 0.25 : 0.25 : 0.25 : 0.25. The output then shows the transition/transversion ratio that was specified or used by default. In the case of the Jukes-Cantor distance this will always be 0.5. The transition-transversion parameter (as opposed to the ratio) is also printed out: this is used within the program and can be ignored. There then follow the data sequences, with the base sequences printed in groups of ten bases along the lines of the Genbank and EMBL formats.

The distances printed out are scaled in terms of expected numbers of substitutions, counting both transitions and transversions but not replacements of a base by itself, and scaled so that the average rate of change, averaged over all sites analyzed, is set to 1.0 if there are multiple categories of sites. This means that whether or not there are multiple categories of sites, the expected fraction of change for very small branches is equal to the branch length. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes may occur in the same site and overlie or even reverse each other. The branch lengths estimates here are in terms of the expected underlying numbers of changes. That means that a branch of length 0.26 is 26 times as long as one which would show a 1% difference between the nucleotide sequences at the beginning and end of the branch. But we would not expect the sequences at the beginning and end of the branch to be 26% different, as there would be some overlaying of changes.

One problem that can arise is that two or more of the species can be so dissimilar that the distance between them would have to be infinite, as the likelihood rises indefinitely as the estimated divergence time increases. For example, with the Jukes-Cantor model, if the two sequences differ in 75% or more of their positions then the estimate of dovergence time would be infinite. Since there is no way to represent an infinite distance in the output file, the program regards this as an error, issues an error message indicating which pair of species are causing the problem, and stops. It might be that, had it continued running, it would have also run into the same problem with other pairs of species. If the Kimura distance is being used there may be no error message; the program may simply give a large distance value (it is iterating towards infinity and the value is just where the iteration stopped). Likewise some maximum likelihood estimates may also become large for the same reason (the sequences showing more divergence than is expected even with infinite branch length). I hope in the future to add more warning messages that would alert the user the this.

If the similarity table is selected, the table that is produced is not in a format that can be used as input to the distance matrix programs. it has a heading, and the species names are also put at the tops of the columns of the table (or rather, the first 8 characters of each species name is there, the other two characters omitted to save space). There is not an option to put the table into a format that can be read by the distance matrix programs, nor is there one to make it into a table of fractions of difference by subtracting the similarity values from 1. This is done deliberately to make it more difficult for the use to use these values to construct trees. The similarity values are not corrected for multiple changes, and their use to construct trees (even after converting them to fractions of difference) would be wrong, as it would lead to severe conflict between the distant pairs of sequences and the close pairs of sequences.

PROGRAM CONSTANTS

The constants that are available to be changed by the user at the beginning of the program include "maxcategories", the maximum number of site categories, "iterations", which controls the number of times the program iterates the EM algorithm that is used to do the maximum likelihood distance, "namelength", the length of species names in characters, and "epsilon", a parameter which controls the accuracy of the results of the iterations which estimate the distances. Making "epsilon" smaller will increase run times but result in more decimal places of accuracy. This should not be necessary.

The program spends most of its time doing real arithmetic. The algorithm, with separate and independent computations occurring for each pattern, lends itself readily to parallel processing.


TEST DATA SET

   5   13
Alpha     AACGTGGCCACAT
Beta      AAGGTCGCCACAC
Gamma     CAGTTCGCCACAA
Delta     GAGATTTCCGCCT
Epsilon   GAGATCTCCGCCC


CONTENTS OF OUTPUT FILE (with all numerical options on)

(Note that when the options for displaying the input data are turned off, the output is in a form suitable for use as an input file in the distance matrix programs).


Nucleic acid sequence Distance Matrix program, version 3.6a3

 5 species,  13  sites

  F84 Distance

Transition/transversion ratio =   2.000000

Name            Sequences
----            ---------

Alpha        AACGTGGCCA CAT
Beta         AAGGTCGCCA CAC
Gamma        CAGTTCGCCA CAA
Delta        GAGATTTCCG CCT
Epsilon      GAGATCTCCG CCC



Empirical Base Frequencies:

   A       0.24615
   C       0.36923
   G       0.21538
  T(U)     0.16923

Alpha       0.0000  0.3039  0.8575  1.1589  1.5429
Beta        0.3039  0.0000  0.3397  0.9135  0.6197
Gamma       0.8575  0.3397  0.0000  1.6317  1.2937
Delta       1.1589  0.9135  1.6317  0.0000  0.1659
Epsilon     1.5429  0.6197  1.2937  0.1659  0.0000
./arbsrc_9167/GDE/PHYLIP/doc/dnainvar.html0000644012664100000130000004037111213220011017764 0ustar arb_buildcoders dnainvar

version 3.6

DNAINVAR -- Program to compute Lake's and Cavender's
phylogenetic invariants from nucleotide sequences

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program reads in nucleotide sequences for four species and computes the phylogenetic invariants discovered by James Cavender (Cavender and Felsenstein, 1987) and James Lake (1987). Lake's method is also called by him "evolutionary parsimony". I prefer Cavender's more mathematically precise term "invariants", as the method bears somewhat more relationship to likelihood methods than to parsimony. The invariants are mathematical formulas (in the present case linear or quadratic) in the EXPECTED frequencies of site patterns which are zero for all trees of a given tree topology, irrespective of branch lengths. We can consider at a given site that if there are no ambiguities, we could have for four species the nucleotide patterns (considering the same site across all four species) AAAA, AAAC, AAAG, ... through TTTT, 256 patterns in all.

The invariants are formulas in the expected pattern frequencies, not the observed pattern frequencies. When they are computed using the observed pattern frequencies, we will usually find that they are not precisely zero even when the model is correct and we have the correct tree topology. Only as the number of nucleotides scored becomes infinite will the observed pattern frequencies approach their expectations; otherwise, we must do a statistical test of the invariants.

Some explanation of invariants will be found in the above papers, and also in my recent review article on statistical aspects of inferring phylogenies (Felsenstein, 1988b). Although invariants have some important advantages, their validity also depends on symmetry assumptions that may not be satisfied. In the discussion below suppose that the possible unrooted phylogenies are I: ((A,B),(C,D)), II: ((A,C),(B,D)), and III: ((A,D),(B,C)).

Lake's Invariants, Their Testing and Assumptions

Lake's invariants are fairly simple to describe: the patterns involved are only those in which there are two purines and two pyrimidines at a site. Thus a site with AACT would affect the invariants, but a site with AAGG would not. Let us use (as Lake does) the symbols 1, 2, 3, and 4, with the proviso that 1 and 2 are either both of the purines or both of the pyrimidines; 3 and 4 are the other two nucleotides. Thus 1 and 2 always differ by a transition; so do 3 and 4. Lake's invariants, expressed in terms of expected frequencies, are the three quantities:

(1)      P(1133) + P(1234) - P(1134) - P(1233),

(2)      P(1313) + P(1324) - P(1314) - P(1323),

(3)      P(1331) + P(1342) - P(1341) - P(1332),

He showed that invariants (2) and (3) are zero under Topology I, (1) and (3) are zero under topology II, and (1) and (2) are zero under Topology III. If, for example, we see a site with pattern ACGC, we can start by setting 1=A. Then 2 must be G. We can then set 3=C (so that 4 is T). Thus its pattern type, making those substitutions, is 1323. P(1323) is the expected probability of the type of pattern which includes ACGC, TGAG, GTAT, etc.

Lake's invariants are easily tested with observed frequencies. For example, the first of them is a test of whether there are as many sites of types 1133 and 1234 as there are of types 1134 and 1233; this is easily tested with a chi-square test or, as in this program, with an exact binomial test. Note that with several invariants to test, we risk overestimating the significance of results if we simply accept the nominal 95% levels of significance (Li and Guoy, 1990).

Lake's invariants assume that each site is evolving independently, and that starting from any base a transversion is equally likely to end up at each of the two possible bases (thus, an A undergoing a transversion is equally likely to end up as a C or a T, and similarly for the other four bases from which one could start. Interestingly, Lake's results do not assume that rates of evolution are the same at all sites. The result that the total of 1133 and 1234 is expected to be the same as the total of 1134 and 1233 is unaffected by the fact that we may have aggregated the counts over classes of sites evolving at different rates.

Cavender's Invariants, Their Testing and Assumptions

Cavender's invariants (Cavender and Felsenstein, 1987) are for the case of a character with two states. In the nucleic acid case we can classify nucleotides into two states, R and Y (Purine and Pyrimidine) and then use the two-state results. Cavender starts, as before, with the pattern frequencies. Coding purines as R and pyrimidines as Y, the patterns types are RRRR, RRRY, and so on until YYYY, a total of 16 types. Cavender found quadratic functions of the expected frequencies of these 16 types that were expected to be zero under a given phylogeny, irrespective of branch lengths. Two invariants (called K and L) were found for each tree topology. The L invariants are particularly easy to understand. If we have the tree topology ((A,B),(C,D)), then in the case of two symmetric states, the event that A and B have the same state should be independent of whether C and D have the same state, as the events determining these happen in different parts of the tree. We can set up a contingency table:

                                 C = D         C =/= D
                           ------------------------------
                          |
                   A = B  |   YYYY, YYRR,     YYYR, YYRY,
                          |   RRRR, RRYY      RRYR, RRRY
                          |
                 A =/= B  |   YRYY, YRRR,     YRYR, YRRY,
                          |   RYYY, RYRR      RYYR, RYRY

and we expect that the events C = D and A = B will be independent. Cavender's L invariant for this tree topology is simply the negative of the crossproduct difference,

      P(A=/=B and C=D) P(A=B and C=/=D) - P(A=B and C=D) P(A=/=B and C=/=D).

One of these L invariants is defined for each of the three tree topologies. They can obviously be tested simply by doing a chi-square test on the contingency table. The one corresponding to the correct topology should be statistically indistinguishable from zero. Again, there is a possible multiple tests problem if all three are tested at a nominal value of 95%.

The K invariants are differences between the L invariants. When one of the tables is expected to have crossproduct difference zero, the other two are expected to be nonzero, and also to be equal. So the difference of their crossproduct differences can be taken; this is the K invariant. It is not so easily tested.

The assumptions of Cavender's invariants are different from those of Lake's. One obviously need not assume anything about the frequencies of, or transitions among, the two different purines or the two different pyrimidines. However one does need to assume independent events at each site, and one needs to assume that the Y and R states are symmetric, that the probability per unit time that a Y changes into an R is the same as the probability that an R changes into a Y, so that we expect equal frequencies of the two states. There is also an assumption that all sites are changing between these two states at the same expected rate. This assumption is not needed for Lake's invariants, since expectations of sums are equal to sums of expectations, but for Cavender's it is, since products of expectations are not equal to expectations of products.

It is helpful to have both sorts of invariants available; with further work we may appreciate what other invaraints there are for various models of nucleic acid change.

INPUT FORMAT

The input data for DNAINVAR is standard. The first line of the input file contains the number of species (which must always be 4 for this version of DNAINVAR) and the number of sites.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:


Nucleic acid sequence Invariants method, version 3.6a3

Settings for this run:
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3      Print out the counts of patterns  Yes
  4              Print out the invariants  Yes

  Y to accept these or type the letter for one to change

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options W, M and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

OUTPUT FORMAT

The output consists first (if option 1 is selected) of a reprinting of the input data, then (if option 2 is on) tables of observed pattern frequencies and pattern type frequencies. A table will be printed out, in alphabetic order AAAA through TTTT of all the patterns that appear among the sites and the number of times each appears. This table will be invaluable for computation of any other invariants. There follows another table, of pattern types, using the 1234 notation, in numerical order 1111 through 1234, of the number of times each type of pattern appears. In this computation all sites at which there are any ambiguities or deletions are omitted. Cavender's invariants could actually be computed from sites that have only Y or R ambiguities; this will be done in the next release of this program.

If option 3 is on the invariants are then printed out, together with their statistical tests. For Lake's invariants the two sums which are expected to be equal are printed out, and then the result of an one-tailed exact binomial test which tests whether the difference is expected to be this positive or more. The P level is given (but remember the multiple-tests problem!).

For Cavender's L invariants the contingency tables are given. Each is tested with a one-tailed chi-square test. It is possible that the expected numbers in some categories could be too small for valid use of this test; the program does not check for this. It is also possible that the chi-square could be significant but in the wrong direction; this is not tested in the current version of the program. To check it beware of a chi-square greater than 3.841 but with a positive invariant. The invariants themselves are computed, as the difference of cross-products. Their absolute magnitudes are not important, but which one is closest to zero may be indicative. Significantly nonzero invariants should be negative if the model is valid. The K invariants, which are simply differences among the L invariants, are also printed out without any test on them being conducted. Note that it is possible to use the bootstrap utility SEQBOOT to create multiple data sets, and from the output from sunning all of these get the empirical variability of these quadratic invariants.

PROGRAM CONSTANTS

The constants that are defined at the beginning of the program include "maxsp", which must always be 4 and should not be changed.

The program is very fast, as it has rather little work to do; these methods are just a little bit beyond the reach of hand tabulation. Execution speed should never be a limiting factor.

FUTURE OF THE PROGRAM

In a future version I hope to allow for Y and R codes in the calculation of the Cavender invariants, and to check for significantly negative cross-product differences in them, which would indicate violation of the model. By then there should be more known about invariants for larger number of species, and any such advances will also be incorporated.


TEST DATA SET

   4   13
Alpha     AACGTGGCCAAAT
Beta      AAGGTCGCCAAAC
Gamma     CATTTCGTCACAA
Delta     GGTATTTCGGCCT


TEST SET OUTPUT (run with all numerical options turned on)


Nucleic acid sequence Invariants method, version 3.6a3

 4 species,  13  sites

Name            Sequences
----            ---------

Alpha        AACGTGGCCA AAT
Beta         ..G..C.... ..C
Gamma        C.TT.C.T.. C.A
Delta        GGTA.TT.GG CC.



   Pattern   Number of times

     AAAC         1
     AAAG         2
     AACC         1
     AACG         1
     CCCG         1
     CCTC         1
     CGTT         1
     GCCT         1
     GGGT         1
     GGTA         1
     TCAT         1
     TTTT         1


Symmetrized patterns (1, 2 = the two purines  and  3, 4 = the two pyrimidines
                  or  1, 2 = the two pyrimidines  and  3, 4 = the two purines)

     1111         1
     1112         2
     1113         3
     1121         1
     1132         2
     1133         1
     1231         1
     1322         1
     1334         1

Tree topologies (unrooted): 

    I:  ((Alpha,Beta),(Gamma,Delta))
   II:  ((Alpha,Gamma),(Beta,Delta))
  III:  ((Alpha,Delta),(Beta,Gamma))


Lake's linear invariants
 (these are expected to be zero for the two incorrect tree topologies.
  This is tested by testing the equality of the two parts
  of each expression using a one-sided exact binomial test.
  The null hypothesis is that the first part is no larger than the second.)

 Tree                             Exact test P value    Significant?

   I      1    -     0   =     1       0.5000               no
   II     0    -     0   =     0       1.0000               no
   III    0    -     0   =     0       1.0000               no


Cavender's quadratic invariants (type L) using purines vs. pyrimidines
 (these are expected to be zero, and thus have a nonsignificant
  chi-square, for the correct tree topology)
They will be misled if there are substantially
different evolutionary rate between sites, or
different purine:pyrimidine ratios from 1:1.

  Tree I:

   Contingency Table

      2     8
      1     2

   Quadratic invariant =             4.0

   Chi-square =    0.23111 (not significant)


  Tree II:

   Contingency Table

      1     5
      1     6

   Quadratic invariant =            -1.0

   Chi-square =    0.01407 (not significant)


  Tree III:

   Contingency Table

      1     2
      6     4

   Quadratic invariant =             8.0

   Chi-square =    0.66032 (not significant)




Cavender's quadratic invariants (type K) using purines vs. pyrimidines
 (these are expected to be zero for the correct tree topology)
They will be misled if there are substantially
different evolutionary rate between sites, or
different purine:pyrimidine ratios from 1:1.
No statistical test is done on them here.

  Tree I:              -9.0
  Tree II:              4.0
  Tree III:             5.0

./arbsrc_9167/GDE/PHYLIP/doc/dnaml.html0000644012664100000130000011053111213220011017251 0ustar arb_buildcoders dnaml

version 3.6

DnaML -- DNA Maximum Likelihood program

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the maximum likelihood method for DNA sequences. The present version is faster than earlier versions of DNAML. Details of the algorithm are published in the paper by Felsenstein and Churchill (1996). The model of base substitution allows the expected frequencies of the four bases to be unequal, allows the expected frequencies of transitions and transversions to be unequal, and has several ways of allowing different rates of evolution at different sites.

The assumptions of the present model are:

  1. Each site in the sequence evolves independently.
  2. Different lineages evolve independently.
  3. Each site undergoes substitution at an expected rate which is chosen from a series of rates (each with a probability of occurrence) which we specify.
  4. All relevant sites are included in the sequence, not just those that have changed or those that are "phylogenetically informative".
  5. A substitution consists of one of two sorts of events:
    (a)
    The first kind of event consists of the replacement of the existing base by a base drawn from a pool of purines or a pool of pyrimidines (depending on whether the base being replaced was a purine or a pyrimidine). It can lead either to no change or to a transition.
    (b)
    The second kind of event consists of the replacement of the existing base by a base drawn at random from a pool of bases at known frequencies, independently of the identity of the base which is being replaced. This could lead either to a no change, to a transition or to a transversion.

    The ratio of the two purines in the purine replacement pool is the same as their ratio in the overall pool, and similarly for the pyrimidines.

    The ratios of transitions to transversions can be set by the user. The substitution process can be diagrammed as follows: Suppose that you specified A, C, G, and T base frequencies of 0.24, 0.28, 0.27, and 0.21.

    • First kind of event:

      1. Determine whether the existing base is a purine or a pyrimidine.
      2. Draw from the proper pool:

              Purine pool:                Pyrimidine pool:
        
             |               |            |               |
             |   0.4706 A    |            |   0.5714 C    |
             |   0.5294 G    |            |   0.4286 T    |
             | (ratio is     |            | (ratio is     |
             |  0.24 : 0.27) |            |  0.28 : 0.21) |
             |_______________|            |_______________|
        

    • Second kind of event:

      Draw from the overall pool:

      
                    |                  |
                    |      0.24 A      |
                    |      0.28 C      |
                    |      0.27 G      |
                    |      0.21 T      |
                    |__________________|
      

    Note that if the existing base is, say, an A, the first kind of event has a 0.4706 probability of "replacing" it by another A. The second kind of event has a 0.24 chance of replacing it by another A. This rather disconcerting model is used because it has nice mathematical properties that make likelihood calculations far easier. A closely similar, but not precisely identical model having different rates of transitions and transversions has been used by Hasegawa et. al. (1985b). The transition probability formulas for the current model were given (with my permission) by Kishino and Hasegawa (1989). Another explanation is available in the paper by Felsenstein and Churchill (1996).

Note the assumption that we are looking at all sites, including those that have not changed at all. It is important not to restrict attention to some sites based on whether or not they have changed; doing that would bias branch lengths by making them too long, and that in turn would cause the method to misinterpret the meaning of those sites that had changed.

This program uses a Hidden Markov Model (HMM) method of inferring different rates of evolution at different sites. This was described in a paper by me and Gary Churchill (1996). It allows us to specify to the program that there will be a number of different possible evolutionary rates, what the prior probabilities of occurrence of each is, and what the average length of a patch of sites all having the same rate. The rates can also be chosen by the program to approximate a Gamma distribution of rates, or a Gamma distribution plus a class of invariant sites. The program computes the the likelihood by summing it over all possible assignments of rates to sites, weighting each by its prior probability of occurrence.

For example, if we have used the C and A options (described below) to specify that there are three possible rates of evolution, 1.0, 2.4, and 0.0, that the prior probabilities of a site having these rates are 0.4, 0.3, and 0.3, and that the average patch length (number of consecutive sites with the same rate) is 2.0, the program will sum the likelihood over all possibilities, but giving less weight to those that (say) assign all sites to rate 2.4, or that fail to have consecutive sites that have the same rate.

The Hidden Markov Model framework for rate variation among sites was independently developed by Yang (1993, 1994, 1995). We have implemented a general scheme for a Hidden Markov Model of rates; we allow the rates and their prior probabilities to be specified arbitrarily by the user, or by a discrete approximation to a Gamma distribution of rates (Yang, 1995), or by a mixture of a Gamma distribution and a class of invariant sites.

This feature effectively removes the artificial assumption that all sites have the same rate, and also means that we need not know in advance the identities of the sites that have a particular rate of evolution.

Another layer of rate variation also is available. The user can assign categories of rates to each site (for example, we might want first, second, and third codon positions in a protein coding sequence to be three different categories. This is done with the categories input file and the C option. We then specify (using the menu) the relative rates of evolution of sites in the different categories. For example, we might specify that first, second, and third positions evolve at relative rates of 1.0, 0.8, and 2.7.

If both user-assigned rate categories and Hidden Markov Model rates are allowed, the program assumes that the actual rate at a site is the product of the user-assigned category rate and the Hidden Markov Model regional rate. (This may not always make perfect biological sense: it would be more natural to assume some upper bound to the rate, as we have discussed in the Felsenstein and Churchill paper). Nevertheless you may want to use both types of rate variation.

INPUT FORMAT AND OPTIONS

Subject to these assumptions, the program is a correct maximum likelihood method. The input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of sites.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:

Nucleic acid sequence Maximum Likelihood method, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  T        Transition/transversion ratio:  2.0000
  F       Use empirical base frequencies?  Yes
  C                One category of sites?  Yes
  R           Rate variation among sites?  constant rate
  W                       Sites weighted?  No
  S        Speedier but rougher analysis?  Yes
  G                Global rearrangements?  No
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes
  5   Reconstruct hypothetical sequences?  No

  Y to accept these or type the letter for one to change

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options U, W, J, O, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The T option in this program does not stand for Threshold, but instead is the Transition/transversion option. The user is prompted for a real number greater than 0.0, as the expected ratio of transitions to transversions. Note that this is not the ratio of the first to the second kinds of events, but the resulting expected ratio of transitions to transversions. The exact relationship between these two quantities depends on the frequencies in the base pools. The default value of the T parameter if you do not use the T option is 2.0.

The F (Frequencies) option is one which may save users much time. If you want to use the empirical frequencies of the bases, observed in the input sequences, as the base frequencies, you simply use the default setting of the F option. These empirical frequencies are not really the maximum likelihood estimates of the base frequencies, but they will often be close to those values (what they are is maximum likelihood estimates under a "star" or "explosion" phylogeny). If you change the setting of the F option you will be prompted for the frequencies of the four bases. These must add to 1 and are to be typed on one line separated by blanks, not commas.

The R (Hidden Markov Model rates) option allows the user to approximate a Gamma distribution of rates among sites, or a Gamma distribution plus a class of invariant sites, or to specify how many categories of substitution rates there will be in a Hidden Markov Model of rate variation, and what are the rates and probabilities for each. By repeatedly selecting the R option one toggles among no rate variation, the Gamma, Gamma+I, and general HMM possibilities.

If you choose Gamma or Gamma+I the program will ask how many rate categories you want. If you have chosen Gamma+I, keep in mind that one rate category will be set aside for the invariant class and only the remaining ones used to approximate the Gamma distribution. For the approximation we do not use the quantile method of Yang (1995) but instead use a quadrature method using generalized Laguerre polynomials. This should give a good approximation to the Gamma distribution with as few as 5 or 6 categories.

In the Gamma and Gamma+I cases, the user will be asked to supply the coefficient of variation of the rate of substitution among sites. This is different from the parameters used by Nei and Jin (1990) but related to them: their parameter a is also known as "alpha", the shape parameter of the Gamma distribution. It is related to the coefficient of variation by

     CV = 1 / a1/2

or

     a = 1 / (CV)2

(their parameter b is absorbed here by the requirement that time is scaled so that the mean rate of evolution is 1 per unit time, which means that a = b). As we consider cases in which the rates are less variable we should set a larger and larger, as CV gets smaller and smaller.

If the user instead chooses the general Hidden Markov Model option, they are first asked how many HMM rate categories there will be (for the moment there is an upper limit of 9, which should not be restrictive). Then the program asks for the rates for each category. These rates are only meaningful relative to each other, so that rates 1.0, 2.0, and 2.4 have the exact same effect as rates 2.0, 4.0, and 4.8. Note that an HMM rate category can have rate of change 0, so that this allows us to take into account that there may be a category of sites that are invariant. Note that the run time of the program will be proportional to the number of HMM rate categories: twice as many categories means twice as long a run. Finally the program will ask for the probabilities of a random site falling into each of these regional rate categories. These probabilities must be nonnegative and sum to 1. Default for the program is one category, with rate 1.0 and probability 1.0 (actually the rate does not matter in that case).

If more than one HMM rate category is specified, then another option, A, becomes visible in the menu. This allows us to specify that we want to assume that sites that have the same HMM rate category are expected to be clustered so that there is autocorrelation of rates. The program asks for the value of the average patch length. This is an expected length of patches that have the same rate. If it is 1, the rates of successive sites will be independent. If it is, say, 10.25, then the chance of change to a new rate will be 1/10.25 after every site. However the "new rate" is randomly drawn from the mix of rates, and hence could even be the same. So the actual observed length of patches with the same rate will be a bit larger than 10.25. Note below that if you choose multiple patches, there will be an estimate in the output file as to which combination of rate categories contributed most to the likelihood.

Note that the autocorrelation scheme we use is somewhat different from Yang's (1995) autocorrelated Gamma distribution. I am unsure whether this difference is of any importance -- our scheme is chosen for the ease with which it can be implemented.

The C option allows user-defined rate categories. The user is prompted for the number of user-defined rates, and for the rates themselves, which cannot be negative but can be zero. These numbers, which must be nonnegative (some could be 0), are defined relative to each other, so that if rates for three categories are set to 1 : 3 : 2.5 this would have the same meaning as setting them to 2 : 6 : 5. The assignment of rates to sites is then made by reading a file whose default name is "categories". It should contain a string of digits 1 through 9. A new line or a blank can occur after any character in this string. Thus the categories file might look like this:

122231111122411155
1155333333444

With the current options R, A, and C the program has gained greatly in its ability to infer different rates at different sites and estimate phylogenies under a more realistic model. Note that Likelihood Ratio Tests can be used to test whether one combination of rates is significantly better than another, provided one rate scheme represents a restriction of another with fewer parameters. The number of parameters needed for rate variation is the number of regional rate categories, plus the number of user-defined rate categories less 2, plus one if the regional rate categories have a nonzero autocorrelation.

The G (global search) option causes, after the last species is added to the tree, each possible group to be removed and re-added. This improves the result, since the position of every species is reconsidered. It approximately triples the run-time of the program.

The User tree (option U) is read from a file whose default name is intree. The trees can be multifurcating.

If the U (user tree) option is chosen another option appears in the menu, the L option. If it is selected, it signals the program that it should take any branch lengths that are in the user tree and simply evaluate the likelihood of that tree, without further altering those branch lengths. This means that if some branches have lengths and others do not, the program will estimate the lengths of those that do not have lengths given in the user tree. Note that the program RETREE can be used to add and remove lengths from a tree.

The U option can read a multifurcating tree. This allows us to test the hypothesis that a certain branch has zero length (we can also do this by using RETREE to set the length of that branch to 0.0 when it is present in the tree). By doing a series of runs with different specified lengths for a branch we can plot a likelihood curve for its branch length while allowing all other branches to adjust their lengths to it. If all branches have lengths specified, none of them will be iterated. This is useful to allow a tree produced by another method to have its likelihood evaluated. The L option has no effect and does not appear in the menu if the U option is not used.

The W (Weights) option is invoked in the usual way, with only weights 0 and 1 allowed. It selects a set of sites to be analyzed, ignoring the others. The sites selected are those with weight 1. If the W option is not invoked, all sites are analyzed. The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file.

The M (multiple data sets) option will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets from the input file. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights. Note also that when we use multiple weights for bootstrapping we can also then maintain different rate categories for different sites in a meaningful way. You should not use the multiple data sets option without using multiple weights, you should not at the same time use the user-defined rate categories option (option C).

The algorithm used for searching among trees is faster than it was in version 3.5, thanks to using a technique invented by David Swofford and J. S. Rogers. This involves not iterating most branch lengths on most trees when searching among tree topologies, This is of necessity a "quick-and-dirty" search but it saves much time. There is a menu option (option S) which can turn off this search and revert to the earlier search method which iterated branch lengths in all topologies. This will be substantially slower but will also be a bit more likely to find the tree topology of highest likelihood.

OUTPUT FORMAT

The output starts by giving the number of species, the number of sites, and the base frequencies for A, C, G, and T that have been specified. It then prints out the transition/transversion ratio that was specified or used by default. It also uses the base frequencies to compute the actual transition/transversion ratio implied by the parameter.

If the R (HMM rates) option is used a table of the relative rates of expected substitution at each category of sites is printed, as well as the probabilities of each of those rates.

There then follow the data sequences, if the user has selected the menu option to print them out, with the base sequences printed in groups of ten bases along the lines of the Genbank and EMBL formats. The trees found are printed as an unrooted tree topology (possibly rooted by outgroup if so requested). The internal nodes are numbered arbitrarily for the sake of identification. The number of trees evaluated so far and the log likelihood of the tree are also given. Note that the trees printed out have a trifurcation at the base. The branch lengths in the diagram are roughly proportional to the estimated branch lengths, except that very short branches are printed out at least three characters in length so that the connections can be seen.

A table is printed showing the length of each tree segment (in units of expected nucleotide substitutions per site), as well as (very) rough confidence limits on their lengths. If a confidence limit is negative, this indicates that rearrangement of the tree in that region is not excluded, while if both limits are positive, rearrangement is still not necessarily excluded because the variance calculation on which the confidence limits are based results in an underestimate, which makes the confidence limits too narrow.

In addition to the confidence limits, the program performs a crude Likelihood Ratio Test (LRT) for each branch of the tree. The program computes the ratio of likelihoods with and without this branch length forced to zero length. This done by comparing the likelihoods changing only that branch length. A truly correct LRT would force that branch length to zero and also allow the other branch lengths to adjust to that. The result would be a likelihood ratio closer to 1. Therefore the present LRT will err on the side of being too significant. YOU ARE WARNED AGAINST TAKING IT TOO SERIOUSLY. If you want to get a better likelihood curve for a branch length you can do multiple runs with different prespecified lengths for that branch, as discussed above in the discussion of the L option.

One should also realize that if you are looking not at a previously-chosen branch but at all branches, that you are seeing the results of multiple tests. With 20 tests, one is expected to reach significance at the P = .05 level purely by chance. You should therefore use a much more conservative significance level, such as .05 divided by the number of tests. The significance of these tests is shown by printing asterisks next to the confidence interval on each branch length. It is important to keep in mind that both the confidence limits and the tests are very rough and approximate, and probably indicate more significance than they should. Nevertheless, maximum likelihood is one of the few methods that can give you any indication of its own error; most other methods simply fail to warn the user that there is any error! (In fact, whole philosophical schools of taxonomists exist whose main point seems to be that there isn't any error, that the "most parsimonious" tree is the best tree by definition and that's that).

The log likelihood printed out with the final tree can be used to perform various likelihood ratio tests. One can, for example, compare runs with different values of the expected transition/transversion ratio to determine which value is the maximum likelihood estimate, and what is the allowable range of values (using a likelihood ratio test, which you will find described in mathematical statistics books). One could also estimate the base frequencies in the same way. Both of these, particularly the latter, require multiple runs of the program to evaluate different possible values, and this might get expensive.

If the U (User Tree) option is used and more than one tree is supplied, and the program is not told to assume autocorrelation between the rates at different sites, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of log-likelihood differences between trees, taken across sites. If the two trees' means are more than 1.96 standard deviations different then the trees are declared significantly different. This use of the empirical variance of log-likelihood differences is more robust and nonparametric than the classical likelihood ratio test, and may to some extent compensate for the any lack of realism in the model underlying this program.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sum of log likelihoods across sites are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected log-likelihood, log-likelihoods for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest log-likelihood exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the log-likelihoods of each tree, the differences of each from the highest one, the variance of that quantity as determined by the log-likelihood differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. However the test is not available if we assume that there is autocorrelation of rates at neighboring sites (option A) and is not done in those cases.

The branch lengths printed out are scaled in terms of expected numbers of substitutions, counting both transitions and transversions but not replacements of a base by itself, and scaled so that the average rate of change, averaged over all sites analyzed, is set to 1.0 if there are multiple categories of sites. This means that whether or not there are multiple categories of sites, the expected fraction of change for very small branches is equal to the branch length. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes occur in the same site and overlie or even reverse each other. The branch length estimates here are in terms of the expected underlying numbers of changes. That means that a branch of length 0.26 is 26 times as long as one which would show a 1% difference between the nucleotide sequences at the beginning and end of the branch. But we would not expect the sequences at the beginning and end of the branch to be 26% different, as there would be some overlaying of changes.

Confidence limits on the branch lengths are also given. Of course a negative value of the branch length is meaningless, and a confidence limit overlapping zero simply means that the branch length is not necessarily significantly different from zero. Because of limitations of the numerical algorithm, branch length estimates of zero will often print out as small numbers such as 0.00001. If you see a branch length that small, it is really estimated to be of zero length. Note that versions 2.7 and earlier of this program printed out the branch lengths in terms of expected probability of change, so that they were scaled differently.

Another possible source of confusion is the existence of negative values for the log likelihood. This is not really a problem; the log likelihood is not a probability but the logarithm of a probability. When it is negative it simply means that the corresponding probability is less than one (since we are seeing its logarithm). The log likelihood is maximized by being made more positive: -30.23 is worse than -29.14.

At the end of the output, if the R option is in effect with multiple HMM rates, the program will print a list of what site categories contributed the most to the final likelihood. This combination of HMM rate categories need not have contributed a majority of the likelihood, just a plurality. Still, it will be helpful as a view of where the program infers that the higher and lower rates are. Note that the use in this calculations of the prior probabilities of different rates, and the average patch length, gives this inference a "smoothed" appearance: some other combination of rates might make a greater contribution to the likelihood, but be discounted because it conflicts with this prior information. See the example output below to see what this printout of rate categories looks like. A second list will also be printed out, showing for each site which rate accounted for the highest fraction of the likelihood. If the fraction of the likelihood accounted for is less than 95%, a dot is printed instead.

Option 3 in the menu controls whether the tree is printed out into the output file. This is on by default, and usually you will want to leave it this way. However for runs with multiple data sets such as bootstrapping runs, you will primarily be interested in the trees which are written onto the output tree file, rather than the trees printed on the output file. To keep the output file from becoming too large, it may be wisest to use option 3 to prevent trees being printed onto the output file.

Option 4 in the menu controls whether the tree estimated by the program is written onto a tree file. The default name of this output tree file is "outtree". If the U option is in effect, all the user-defined trees are written to the output tree file.

Option 5 in the menu controls whether ancestral states are estimated at each node in the tree. If it is in effect, a table of ancestral sequences is printed out (including the sequences in the tip species which are the input sequences). In that table, if a site has a base which accounts for more than 95% of the likelihood, it is printed in capital letters (A rather than a). If the best nucleotide accounts for less than 50% of the likelihood, the program prints out an ambiguity code (such as M for "A or C") for the set of nucleotides which, taken together, account for more half of the likelihood. The ambiguity codes are listed in the sequence programs documentation file. One limitation of the current version of the program is that when there are multiple HMM rates (option R) the reconstructed nucleotides are based on only the single assignment of rates to sites which accounts for the largest amount of the likelihood. Thus the assessment of 95% of the likelihood, in tabulating the ancestral states, refers to 95% of the likelihood that is accounted for by that particular combination of rates.

PROGRAM CONSTANTS

The constants defined at the beginning of the program include "maxtrees", the maximum number of user trees that can be processed. It is small (100) at present to save some further memory but the cost of increasing it is not very great. Other constants include "maxcategories", the maximum number of site categories, "namelength", the length of species names in characters, and three others, "smoothings", "iterations", and "epsilon", that help "tune" the algorithm and define the compromise between execution speed and the quality of the branch lengths found by iteratively maximizing the likelihood. Reducing iterations and smoothings, and increasing epsilon, will result in faster execution but a worse result. These values will not usually have to be changed.

The program spends most of its time doing real arithmetic. The algorithm, with separate and independent computations occurring for each pattern, lends itself readily to parallel processing.

PAST AND FUTURE OF THE PROGRAM

This program, which in version 2.6 replaced the old version of DNAML, is not derived directly from it but instead was developed by modifying CONTML, with which it shares many of its data structures and much of its strategy. It was speeded up by two major developments, the use of aliasing of nucleotide sites (version 3.1) and pretabulation of some exponentials (added by Akiko Fuseki in version 3.4). In version 3.5 the Hidden Markov Model code was added and the method of iterating branch lengths was changed from an EM algorithm to direct search. The Hidden Markov Model code slows things down, especially if there is autocorrelation between sites, so this version is slower than version 3.4. Nevertheless we hope that the sacrifice is worth it.

One change that is needed in the future is to put in some way of allowing for base composition of nucleotide sequences in different parts of the phylogeny.


TEST DATA SET

   5   13
Alpha     AACGTGGCCAAAT
Beta      AAGGTCGCCAAAC
Gamma     CATTTCGTCACAA
Delta     GGTATTTCGGCCT
Epsilon   GGGATCTCGGCCC


CONTENTS OF OUTPUT FILE (with all numerical options on)

(It was run with HMM rates having gamma-distributed rates approximated by 5 rate categories, with coefficient of variation of rates 1.0, and with patch length parameter = 1.5. Two user-defined rate categories were used, one for the first 6 sites, the other for the last 7, with rates 1.0 : 2.0. Weights were used, with sites 1 and 13 given weight 0, and all others weight 1.)


Nucleic acid sequence Maximum Likelihood method, version 3.6a3

 5 species,  13  sites

    Site categories are:

             1111112222 222


    Sites are weighted as follows:

             0111111111 111


Name            Sequences
----            ---------

Alpha        AACGTGGCCA AAT
Beta         AAGGTCGCCA AAC
Gamma        CATTTCGTCA CAA
Delta        GGTATTTCGG CCT
Epsilon      GGGATCTCGG CCC



Empirical Base Frequencies:

   A       0.23333
   C       0.30000
   G       0.23333
  T(U)     0.23333

Transition/transversion ratio =   2.000000


Discrete approximation to gamma distributed rates
 Coefficient of variation of rates = 1.000000  (alpha = 1.000000)

State in HMM    Rate of change    Probability

        1           0.264            0.522
        2           1.413            0.399
        3           3.596            0.076
        4           7.086            0.0036
        5          12.641            0.000023

Expected length of a patch of sites having the same rate =    1.500


Site category   Rate of change

        1           1.000
        2           2.000



  +Beta      
  |  
  |                                                         +Epsilon   
  |  +------------------------------------------------------3  
  1--2                                                      +--Delta     
  |  |  
  |  +--------Gamma     
  |  
  +--Alpha     


remember: this is an unrooted tree!

Ln Likelihood =   -66.19167

 Between        And            Length      Approx. Confidence Limits
 -------        ---            ------      ------- ---------- ------

     1          Alpha             0.49468     (     zero,     1.23032) **
     1          Beta              0.00006     (     zero,     0.62569)
     1             2              0.22531     (     zero,     2.28474)
     2             3              8.20666     (     zero,    23.52785) **
     3          Epsilon           0.00006     (     zero,     0.65419)
     3          Delta             0.44668     (     zero,     1.10233) **
     2          Gamma             1.34187     (     zero,     3.46288) **

     *  = significantly positive, P < 0.05
     ** = significantly positive, P < 0.01

Combination of categories that contributes the most to the likelihood:

             1122121111 112

Most probable category at each site if > 0.95 probability ("." otherwise)

             .......... ...

Probable sequences at interior nodes:

  node       Reconstructed sequence (caps if > 0.95)

    1        .AGGTCGCCA AAC
 Beta        AAGGTCGCCA AAC
    2        .AggTcGcCA aAc
    3        .GGATCTCGG CCC
 Epsilon     GGGATCTCGG CCC
 Delta       GGTATTTCGG CCT
 Gamma       CATTTCGTCA CAA
 Alpha       AACGTGGCCA AAT

./arbsrc_9167/GDE/PHYLIP/doc/dnamlk.html0000644012664100000130000010463011213220011017427 0ustar arb_buildcoders dnamlk

version 3.6

DnaMLK -- DNA Maximum Likelihood program
with molecular clock

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the maximum likelihood method for DNA sequences under the constraint that the trees estimated must be consistent with a molecular clock. The molecular clock is the assumption that the tips of the tree are all equidistant, in branch length, from its root. This program is indirectly related to DNAML. Details of the algorithm are not yet published, but many aspects of it are similar to DNAML, and these are published in the paper by Felsenstein and Churchill (1996). The model of base substitution allows the expected frequencies of the four bases to be unequal, allows the expected frequencies of transitions and transversions to be unequal, and has several ways of allowing different rates of evolution at different sites.

The assumptions of the model are:

  1. Each site in the sequence evolves independently.
  2. Different lineages evolve independently.
  3. There is a molecular clock.
  4. Each site undergoes substitution at an expected rate which is chosen from a series of rates (each with a probability of occurrence) which we specify.
  5. All relevant sites are included in the sequence, not just those that have changed or those that are "phylogenetically informative".
  6. A substitution consists of one of two sorts of events:
    (a)
    The first kind of event consists of the replacement of the existing base by a base drawn from a pool of purines or a pool of pyrimidines (depending on whether the base being replaced was a purine or a pyrimidine). It can lead either to no change or to a transition.
    (b)
    The second kind of event consists of the replacement of the existing base by a base drawn at random from a pool of bases at known frequencies, independently of the identity of the base which is being replaced. This could lead either to a no change, to a transition or to a transversion.

    The ratio of the two purines in the purine replacement pool is the same as their ratio in the overall pool, and similarly for the pyrimidines.

    The ratios of transitions to transversions can be set by the user. The substitution process can be diagrammed as follows: Suppose that you specified A, C, G, and T base frequencies of 0.24, 0.28, 0.27, and 0.21.

    • First kind of event:

      1. Determine whether the existing base is a purine or a pyrimidine.
      2. Draw from the proper pool:

              Purine pool:                Pyrimidine pool:
        
             |               |            |               |
             |   0.4706 A    |            |   0.5714 C    |
             |   0.5294 G    |            |   0.4286 T    |
             | (ratio is     |            | (ratio is     |
             |  0.24 : 0.27) |            |  0.28 : 0.21) |
             |_______________|            |_______________|
        

    • Second kind of event:

      Draw from the overall pool:

      
                    |                  |
                    |      0.24 A      |
                    |      0.28 C      |
                    |      0.27 G      |
                    |      0.21 T      |
                    |__________________|
      

    Note that if the existing base is, say, an A, the first kind of event has a 0.4706 probability of "replacing" it by another A. The second kind of event has a 0.24 chance of replacing it by another A. This rather disconcerting model is used because it has nice mathematical properties that make likelihood calculations far easier. A closely similar, but not precisely identical model having different rates of transitions and transversions has been used by Hasegawa et. al. (1985b). The transition probability formulas for the current model were given (with my permission) by Kishino and Hasegawa (1989). Another explanation is available in the paper by Felsenstein and Churchill (1996).

Note the assumption that we are looking at all sites, including those that have not changed at all. It is important not to restrict attention to some sites based on whether or not they have changed; doing that would bias branch lengths by making them too long, and that in turn would cause the method to misinterpret the meaning of those sites that had changed.

This program uses a Hidden Markov Model (HMM) method of inferring different rates of evolution at different sites. This was described in a paper by me and Gary Churchill (1996). It allows us to specify to the program that there will be a number of different possible evolutionary rates, what the prior probabilities of occurrence of each is, and what the average length of a patch of sites all having the same rate. The rates can also be chosen by the program to approximate a Gamma distribution of rates, or a Gamma distribution plus a class of invariant sites. The program computes the the likelihood by summing it over all possible assignments of rates to sites, weighting each by its prior probability of occurrence.

For example, if we have used the C and A options (described below) to specify that there are three possible rates of evolution, 1.0, 2.4, and 0.0, that the prior probabilities of a site having these rates are 0.4, 0.3, and 0.3, and that the average patch length (number of consecutive sites with the same rate) is 2.0, the program will sum the likelihood over all possibilities, but giving less weight to those that (say) assign all sites to rate 2.4, or that fail to have consecutive sites that have the same rate.

The Hidden Markov Model framework for rate variation among sites was independently developed by Yang (1993, 1994, 1995). We have implemented a general scheme for a Hidden Markov Model of rates; we allow the rates and their prior probabilities to be specified arbitrarily by the user, or by a discrete approximation to a Gamma distribution of rates (Yang, 1995), or by a mixture of a Gamma distribution and a class of invariant sites.

This feature effectively removes the artificial assumption that all sites have the same rate, and also means that we need not know in advance the identities of the sites that have a particular rate of evolution.

Another layer of rate variation also is available. The user can assign categories of rates to each site (for example, we might want first, second, and third codon positions in a protein coding sequence to be three different categories. This is done with the categories input file and the C option. We then specify (using the menu) the relative rates of evolution of sites in the different categories. For example, we might specify that first, second, and third positions evolve at relative rates of 1.0, 0.8, and 2.7.

If both user-assigned rate categories and Hidden Markov Model rates are allowed, the program assumes that the actual rate at a site is the product of the user-assigned category rate and the Hidden Markov Model regional rate. (This may not always make perfect biological sense: it would be more natural to assume some upper bound to the rate, as we have discussed in the Felsenstein and Churchill paper). Nevertheless you may want to use both types of rate variation.

INPUT FORMAT AND OPTIONS

Subject to these assumptions, the program is a correct maximum likelihood method. The input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of sites.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:


Nucleic acid sequence
   Maximum Likelihood method with molecular clock, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  T        Transition/transversion ratio:  2.0
  F       Use empirical base frequencies?  Yes
  C   One category of substitution rates?  Yes
  R           Rate variation among sites?  constant rate
  G                Global rearrangements?  No
  W                       Sites weighted?  No
  J   Randomize input order of sequences?  No. Use input order
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes
  5   Reconstruct hypothetical sequences?  No

Are these settings correct? (type Y or the letter for one to change)
  

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options U, W, J, O, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The T option in this program does not stand for Threshold, but instead is the Transition/transversion option. The user is prompted for a real number greater than 0.0, as the expected ratio of transitions to transversions. Note that this is not the ratio of the first to the second kinds of events, but the resulting expected ratio of transitions to transversions. The exact relationship between these two quantities depends on the frequencies in the base pools. The default value of the T parameter if you do not use the T option is 2.0.

The F (Frequencies) option is one which may save users much time. If you want to use the empirical frequencies of the bases, observed in the input sequences, as the base frequencies, you simply use the default setting of the F option. These empirical frequencies are not really the maximum likelihood estimates of the base frequencies, but they will often be close to those values (what they are is maximum likelihood estimates under a "star" or "explosion" phylogeny). If you change the setting of the F option you will be prompted for the frequencies of the four bases. These must add to 1 and are to be typed on one line separated by blanks, not commas.

The R (Hidden Markov Model rates) option allows the user to approximate a Gamma distribution of rates among sites, or a Gamma distribution plus a class of invariant sites, or to specify how many categories of substitution rates there will be in a Hidden Markov Model of rate variation, and what are the rates and probabilities for each. By repeatedly selecting the R option one toggles among no rate variation, the Gamma, Gamma+I, and general HMM possibilities.

If you choose Gamma or Gamma+I the program will ask how many rate categories you want. If you have chosen Gamma+I, keep in mind that one rate category will be set aside for the invariant class and only the remaining ones used to approximate the Gamma distribution. For the approximation we do not use the quantile method of Yang (1995) but instead use a quadrature method using generalized Laguerre polynomials. This should give a good approximation to the Gamma distribution with as few as 5 or 6 categories.

In the Gamma and Gamma+I cases, the user will be asked to supply the coefficient of variation of the rate of substitution among sites. This is different from the parameters used by Nei and Jin (1990) but related to them: their parameter a is also known as "alpha", the shape parameter of the Gamma distribution. It is related to the coefficient of variation by

     CV = 1 / a1/2

or

     a = 1 / (CV)2

(their parameter b is absorbed here by the requirement that time is scaled so that the mean rate of evolution is 1 per unit time, which means that a = b). As we consider cases in which the rates are less variable we should set a larger and larger, as CV gets smaller and smaller.

If the user instead chooses the general Hidden Markov Model option, they are first asked how many HMM rate categories there will be (for the moment there is an upper limit of 9, which should not be restrictive). Then the program asks for the rates for each category. These rates are only meaningful relative to each other, so that rates 1.0, 2.0, and 2.4 have the exact same effect as rates 2.0, 4.0, and 4.8. Note that an HMM rate category can have rate of change 0, so that this allows us to take into account that there may be a category of sites that are invariant. Note that the run time of the program will be proportional to the number of HMM rate categories: twice as many categories means twice as long a run. Finally the program will ask for the probabilities of a random site falling into each of these regional rate categories. These probabilities must be nonnegative and sum to 1. Default for the program is one category, with rate 1.0 and probability 1.0 (actually the rate does not matter in that case).

If more than one HMM rate category is specified, then another option, A, becomes If more than one category is specified, then another option, A, becomes visible in the menu. This allows us to specify that we want to assume that sites that have the same HMM rate category are expected to be clustered so that there is autocorrelation of rates. The program asks for the value of the average patch length. This is an expected length of patches that have the same rate. If it is 1, the rates of successive sites will be independent. If it is, say, 10.25, then the chance of change to a new rate will be 1/10.25 after every site. However the "new rate" is randomly drawn from the mix of rates, and hence could even be the same. So the actual observed length of patches with the same rate will be a bit larger than 10.25. Note below that if you choose multiple patches, there will be an estimate in the output file as to which combination of rate categories contributed most to the likelihood.

Note that the autocorrelation scheme we use is somewhat different from Yang's (1995) autocorrelated Gamma distribution. I am unsure whether this difference is of any importance -- our scheme is chosen for the ease with which it can be implemented.

The C option allows user-defined rate categories. The user is prompted for the number of user-defined rates, and for the rates themselves, which cannot be negative but can be zero. These numbers, which must be nonnegative (some could be 0), are defined relative to each other, so that if rates for three categories are set to 1 : 3 : 2.5 this would have the same meaning as setting them to 2 : 6 : 5. The assignment of rates to sites is then made by reading a file whose default name is "categories". It should contain a string of digits 1 through 9. A new line or a blank can occur after any character in this string. Thus the categories file might look like this:

122231111122411155
1155333333444

With the current options R, A, and C the program has gained greatly in its ability to infer different rates at different sites and estimate phylogenies under a more realistic model. Note that Likelihood Ratio Tests can be used to test whether one combination of rates is significantly better than another, provided one rate scheme represents a restriction of another with fewer parameters. The number of parameters needed for rate variation is the number of regional rate categories, plus the number of user-defined rate categories less 2, plus one if the regional rate categories have a nonzero autocorrelation.

The G (global search) option causes, after the last species is added to the tree, each possible group to be removed and re-added. This improves the result, since the position of every species is reconsidered. It approximately triples the run-time of the program.

The User tree (option U) is read from a file whose default name is intree. The trees can be multifurcating. This allows us to test the hypothesis that a given branch has zero length.

If the U (user tree) option is chosen another option appears in the menu, the L option. If it is selected, it signals the program that it should take any branch lengths that are in the user tree and simply evaluate the likelihood of that tree, without further altering those branch lengths. In the case of a clock, if some branches have lengths and others do not, the program does not estimate the lengths of those that do not have lengths given in the user tree. If any of the branches do not have lengths, the program re-estimates the lengths of all of them. This is done because estimating some and not others is hard in the case of a clock.

The W (Weights) option is invoked in the usual way, with only weights 0 and 1 allowed. It selects a set of sites to be analyzed, ignoring the others. The sites selected are those with weight 1. If the W option is not invoked, all sites are analyzed. The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file.

The M (multiple data sets) option will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets from the input file. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights. Note also that when we use multiple weights for bootstrapping we can also then maintain different rate categories for different sites in a meaningful way. You should not use the multiple data sets option without using multiple weights, you should not at the same time use the user-defined rate categories option (option C).

The algorithm used for searching among trees is faster than it was in version 3.5, thanks to using a technique invented by David Swofford and J. S. Rogers. This involves not iterating most branch lengths on most trees when searching among tree topologies, This is of necessity a "quick-and-dirty" search but it saves much time.

OUTPUT FORMAT

The output starts by giving the number of species, the number of sites, and the base frequencies for A, C, G, and T that have been specified. It then prints out the transition/transversion ratio that was specified or used by default. It also uses the base frequencies to compute the actual transition/transversion ratio implied by the parameter.

If the R (HMM rates) option is used a table of the relative rates of expected substitution at each category of sites is printed, as well as the probabilities of each of those rates.

There then follow the data sequences, if the user has selected the menu option to print them out, with the base sequences printed in groups of ten bases along the lines of the Genbank and EMBL formats. The trees found are printed as a rooted tree topology. The internal nodes are numbered arbitrarily for the sake of identification. The number of trees evaluated so far and the log likelihood of the tree are also given. The branch lengths in the diagram are roughly proportional to the estimated branch lengths, except that very short branches are printed out at least three characters in length so that the connections can be seen.

A table is printed showing the length of each tree segment, and the time (in units of expected nucleotide substitutions per site) of each fork in the tree, measured from the root of the tree. I have not attempted in include code for approximate confidence limits on branch points, as I have done for branch lengths in DNAML, both because of the extreme crudeness of that test, and because the variation of times for different forks would be highly correlated.

The log likelihood printed out with the final tree can be used to perform various likelihood ratio tests. One can, for example, compare runs with different values of the expected transition/transversion ratio to determine which value is the maximum likelihood estimate, and what is the allowable range of values (using a likelihood ratio test, which you will find described in mathematical statistics books). One could also estimate the base frequencies in the same way. Both of these, particularly the latter, require multiple runs of the program to evaluate different possible values, and this might get expensive.

This program makes possible a (reasonably) legitimate statistical test of the molecular clock. To do such a test, run DNAML and DNAMLK on the same data. If the trees obtained are of the same topology (when considered as unrooted), it is legitimate to compare their likelihoods by the likelihood ratio test. In DNAML the likelihood has been computed by estimating 2n-3 branch lengths, if their are n tips on the tree. In DNAMLK it has been computed by estimating n-1 branching times (in effect, n-1 branch lengths). The difference in the number of parameters is (2n-3)-(n-1) = n-2. To perform the test take the difference in log likelihoods between the two runs (DNAML should be the higher of the two, barring numerical iteration difficulties) and double it. Look this up on a chi-square distribution with n-2 degrees of freedom. If the result is significant, the log likelihood has been significantly increased by allowing all 2n-3 branch lengths to be estimated instead of just n-1, and molecular clock may be rejected.

If the U (User Tree) option is used and more than one tree is supplied, and the program is not told to assume autocorrelation between the rates at different sites, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of log-likelihood differences between trees, taken across sites. If the two trees' means are more than 1.96 standard deviations different then the trees are declared significantly different. This use of the empirical variance of log-likelihood differences is more robust and nonparametric than the classical likelihood ratio test, and may to some extent compensate for the any lack of realism in the model underlying this program.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sum of log likelihoods across sites are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected log-likelihood, log-likelihoods for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest log-likelihood exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the log-likelihoods of each tree, the differences of each from the highest one, the variance of that quantity as determined by the log-likelihood differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. However the test is not available if we assume that there is autocorrelation of rates at neighboring sites (option A) and is not done in those cases.

The branch lengths printed out are scaled in terms of expected numbers of substitutions, counting both transitions and transversions but not replacements of a base by itself, and scaled so that the average rate of change, averaged over all sites analyzed, is set to 1.0 if there are multiple categories of sites. This means that whether or not there are multiple categories of sites, the expected fraction of change for very small branches is equal to the branch length. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes occur in the same site and overlie or even reverse each other. The branch length estimates here are in terms of the expected underlying numbers of changes. That means that a branch of length 0.26 is 26 times as long as one which would show a 1% difference between the nucleotide sequences at the beginning and end of the branch. But we would not expect the sequences at the beginning and end of the branch to be 26% different, as there would be some overlaying of changes.

Because of limitations of the numerical algorithm, branch length estimates of zero will often print out as small numbers such as 0.00001. If you see a branch length that small, it is really estimated to be of zero length.

Another possible source of confusion is the existence of negative values for the log likelihood. This is not really a problem; the log likelihood is not a probability but the logarithm of a probability. When it is negative it simply means that the corresponding probability is less than one (since we are seeing its logarithm). The log likelihood is maximized by being made more positive: -30.23 is worse than -29.14.

At the end of the output, if the R option is in effect with multiple HMM rates, the program will print a list of what site categories contributed the most to the final likelihood. This combination of HMM rate categories need not have contributed a majority of the likelihood, just a plurality. Still, it will be helpful as a view of where the program infers that the higher and lower rates are. Note that the use in this calculations of the prior probabilities of different rates, and the average patch length, gives this inference a "smoothed" appearance: some other combination of rates might make a greater contribution to the likelihood, but be discounted because it conflicts with this prior information. See the example output below to see what this printout of rate categories looks like.

A second list will also be printed out, showing for each site which rate accounted for the highest fraction of the likelihood. If the fraction of the likelihood accounted for is less than 95%, a dot is printed instead.

Option 3 in the menu controls whether the tree is printed out into the output file. This is on by default, and usually you will want to leave it this way. However for runs with multiple data sets such as bootstrapping runs, you will primarily be interested in the trees which are written onto the output tree file, rather than the trees printed on the output file. To keep the output file from becoming too large, it may be wisest to use option 3 to prevent trees being printed onto the output file.

Option 4 in the menu controls whether the tree estimated by the program is written onto a tree file. The default name of this output tree file is "outtree". If the U option is in effect, all the user-defined trees are written to the output tree file.

Option 5 in the menu controls whether ancestral states are estimated at each node in the tree. If it is in effect, a table of ancestral sequences is printed out (including the sequences in the tip species which are the input sequences). In that table, if a site has a base which accounts for more than 95% of the likelihood, it is printed in capital letters (A rather than a). If the best nucleotide accounts for less than 50% of the likelihood, the program prints out an ambiguity code (such as M for "A or C") for the set of nucleotides which, taken together, account for more half of the likelihood. The ambiguity codes are listed in the sequence programs documentation file. One limitation of the current version of the program is that when there are multiple HMM rates (option R) the reconstructed nucleotides are based on only the single assignment of rates to sites which accounts for the largest amount of the likelihood. Thus the assessment of 95% of the likelihood, in tabulating the ancestral states, refers to 95% of the likelihood that is accounted for by that particular combination of rates.

PROGRAM CONSTANTS

The constants defined at the beginning of the program include "maxtrees", the maximum number of user trees that can be processed. It is small (100) at present to save some further memory but the cost of increasing it is not very great. Other constants include "maxcategories", the maximum number of site categories, "namelength", the length of species names in characters, and three others, "smoothings", "iterations", and "epsilon", that help "tune" the algorithm and define the compromise between execution speed and the quality of the branch lengths found by iteratively maximizing the likelihood. Reducing iterations and smoothings, and increasing epsilon, will result in faster execution but a worse result. These values will not usually have to be changed.

The program spends most of its time doing real arithmetic. The algorithm, with separate and independent computations occurring for each pattern, lends itself readily to parallel processing.

PAST AND FUTURE OF THE PROGRAM

This program was developed in 1989 by combining code from DNAPARS and from DNAML. It was speeded up by two major developments, the use of aliasing of nucleotide sites (version 3.1) and pretabulation of some exponentials (added by Akiko Fuseki in version 3.4). In version 3.5 the Hidden Markov Model code was added and the method of iterating branch lengths was changed from an EM algorithm to direct search. The Hidden Markov Model code slows things down, especially if there is autocorrelation between sites, so this version is slower than version 3.4. Nevertheless we hope that the sacrifice is worth it.

One change that is needed in the future is to put in some way of allowing for base composition of nucleotide sequences in different parts of the phylogeny.


TEST DATA SET

   5   13
Alpha     AACGTGGCCAAAT
Beta      AAGGTCGCCAAAC
Gamma     CATTTCGTCACAA
Delta     GGTATTTCGGCCT
Epsilon   GGGATCTCGGCCC


CONTENTS OF OUTPUT FILE (with all numerical options on)

(It was run with HMM rates having gamma-distributed rates approximated by 5 rate categories, with coefficient of variation of rates 1.0, and with patch length parameter = 1.5. Two user-defined rate categories were used, one for the first 6 sites, the other for the last 7, with rates 1.0 : 2.0. Weights were used, with sites 1 and 13 given weight 0, and all others weight 1.)


Nucleic acid sequence
   Maximum Likelihood method with molecular clock, version 3.6a3

 5 species,  13  sites

    Site categories are:

             1111112222 222


    Sites are weighted as follows:

             0111111111 111


Name            Sequences
----            ---------

Alpha        AACGTGGCCA AAT
Beta         AAGGTCGCCA AAC
Gamma        CATTTCGTCA CAA
Delta        GGTATTTCGG CCT
Epsilon      GGGATCTCGG CCC



Empirical Base Frequencies:

   A       0.23333
   C       0.30000
   G       0.23333
  T(U)     0.23333

Transition/transversion ratio =   2.000000


Discrete approximation to gamma distributed rates
 Coefficient of variation of rates = 1.000000  (alpha = 1.000000)

State in HMM    Rate of change    Probability

        1           0.264            0.522
        2           1.413            0.399
        3           3.596            0.076
        4           7.086            0.0036
        5          12.641            0.000023

Expected length of a patch of sites having the same rate =    1.500


Site category   Rate of change

        1           1.000
        2           2.000






                                                   +-----Epsilon   
  +------------------------------------------------4  
  !                                                +-----Delta     
--3  
  !                                           +----------Gamma     
  +-------------------------------------------2  
                                              !       +--Beta      
                                              +-------1  
                                                      +--Alpha     


Ln Likelihood =   -68.25148

 Ancestor      Node      Node Height     Length
 --------      ----      ---- ------     ------
 root            3      
   3             4          4.37769      4.37769
   4          Epsilon       4.92983      0.55214
   4          Delta         4.92983      0.55214
   3             2          3.97954      3.97954
   2          Gamma         4.92983      0.95029
   2             1          4.64910      0.66957
   1          Beta          4.92983      0.28073
   1          Alpha         4.92983      0.28073

Combination of categories that contributes the most to the likelihood:

             1122121111 112

Most probable category at each site if > 0.95 probability ("." otherwise)

             .......... ...


Probable sequences at interior nodes:

  node       Reconstructed sequence (caps if > 0.95)

    3        .rymtyscsr ymy
    4        .GkaTcTCGG CCy
 Epsilon     GGGATCTCGG CCC
 Delta       GGTATTTCGG CCT
    2        .AykTcGcCA mAy
 Gamma       CATTTCGTCA CAA
    1        .AcGTcGCCA AAy
 Beta        AAGGTCGCCA AAC
 Alpha       AACGTGGCCA AAT

./arbsrc_9167/GDE/PHYLIP/doc/dnamove.html0000644012664100000130000003465311213220011017621 0ustar arb_buildcoders dnamove

version 3.6

DNAMOVE - Interactive DNA parsimony

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DNAMOVE is an interactive DNA parsimony program, inspired by Wayne Maddison and David and Wayne Maddison's marvellous program MacClade, which is written for Macintosh computers. DNAMOVE reads in a data set which is prepared in almost the same format as one for the DNA parsimony program DNAPARS. It allows the user to choose an initial tree, and displays this tree on the screen. The user can look at different sites and the way the nucleotide states are distributed on that tree, given the most parsimonious reconstruction of state changes for that particular tree. The user then can specify how the tree is to be rearraranged, rerooted or written out to a file. By looking at different rearrangements of the tree the user can manually search for the most parsimonious tree, and can get a feel for how different sites are affected by changes in the tree topology.

This program uses graphic characters that show the tree to best advantage on some computer systems. Its graphic characters will work best on MSDOS systems or MSDOS windows in Windows, and to any system whose screen or terminals emulate ANSI standard terminals such as old Digital VT100 terminals, Telnet programs, or VT100-compatible windows in the X windowing system. For any other screen types, (such as Macintosh windows) there is a generic option which does not make use of screen graphics characters. The program will work well in those cases, but the tree it displays will look a bit uglier.

The input data file is set up almost identically to the data files for DNAPARS. The code for nucleotide sequences is the standard one, as described in the molecular sequence programs document. The user trees are contained in the input tree file which is used for input of the starting tree (if desired). The output tree file is used for the final tree.

The user interaction starts with the program presenting a menu. The menu looks like this:


Interactive DNA parsimony, version 3.6a3

Settings for this run:
  O                             Outgroup root?  No, use as outgroup species  1
  W                            Sites weighted?  No
  T                   Use Threshold parsimony?  No, use ordinary parsimony
  I               Input sequences interleaved?  Yes
  U   Initial tree (arbitrary, user, specify)?  Arbitrary
  0        Graphics type (IBM PC, ANSI, none)?  (none)
  S                  Width of terminal screen?  80
  L                 Number of lines on screen?  24

Are these settings correct? (type Y or the letter for one to change)

The O (Outgroup), W (Weights), T (Threshold), and 0 (Graphics type) options are the usual ones and are described in the main documentation file. The I (Interleaved) option is the usual one and is described in the main documentation file and the molecular sequences programs documentation file. The U (initial tree) option allows the user to choose whether the initial tree is to be arbitrary, interactively specified by the user, or read from a tree file. Typing U causes the program to change among the three possibilities in turn. I would recommend that for a first run, you allow the tree to be set up arbitrarily (the default), as the "specify" choice is difficult to use and the "user tree" choice requires that you have available a tree file with the tree topology of the initial tree, which must be a rooted tree. Its default name is intree. The program will ask you for its name if it looks for the input tree file and does not find one of this name. If you wish to set up some particular tree you can also do that by the rearrangement commands specified below.

The W (Weights) option allows only weights of 0 or 1.

The T (threshold) option allows a continuum of methods between parsimony and compatibility. Thresholds less than or equal to 1.0 do not have any meaning and should not be used: they will result in a tree dependent only on the input order of species and not at all on the data!

The L (screen Lines) option allows the user to change the height of the screen (in lines of characters) that is assumed to be available on the display. This may be particularly helpful when displaying large trees on terminals that have more than 24 lines per screen, or on workstation or X-terminal screens that can emulate the ANSI terminals with more than 24 lines.

After the initial menu is displayed and the choices are made, the program then sets up an initial tree and displays it. Below it will be a one-line menu of possible commands, which looks like this:

NEXT? (Options: R # + - S . T U W O F C H ? X Q) (H or ? for Help) 

If you type H or ? you will get a single screen showing a description of each of these commands in a few words. Here are slightly more detailed descriptions:

R ("Rearrange")
This command asks for the number of a node which is to be removed from the tree. It and everything to the right of it on the tree is to be removed (by breaking the branch immediately below it). The command also asks for the number of a node below which that group is to be inserted. If an impossible number is given, the program refuses to carry out the rearrangement and asks for a new command. The rearranged tree is displayed: it will often have a different number of steps than the original. If you wish to undo a rearrangement, use the Undo command, for which see below.
#
This command, and the +, - and S commands described below, determine which site has its states displayed on the branches of the trees. The initial tree displayed by the program does not show states of sites. When # is typed, the program does not ask the user which site is to be shown but automatically shows the states of the next site that is not compatible with the tree (the next site that does not perfectly fit the current tree). The search for this site "wraps around" so that if it reaches the last site without finding one that is not compatible with the tree, the search continues at the first site; if no incompatible site is found the current site is shown again, and if no current site is being shown then the first site is shown. The display takes the form of different symbols or textures on the branches of the tree. The state of each branch is actually the state of the node above it. A key of the symbols or shadings used for states A, C, G, T (U) and ? are shown next to the tree. State ? means that more than one possible nucleotide could exist at that point on the tree, and that the user may want to consider the different possibilities, which are usually apparent by inspection.
+
This command is the same as \# except that it goes forward one site, showing the states of the next site. If no site has been shown, using + will cause the first site to be shown. Once the last site has been reached, using + again will show the first site.

-
This command is the same as + except that it goes backwards, showing the states of the previous site. If no site has been shown, using - will cause the last site to be shown. Once site number 1 has been reached, using - again will show the last site.
S ("Show").
This command is the same as + and - except that it causes the program to ask you for the number of a site. That site is the one whose states will be displayed. If you give the site number as 0, the program will go back to not showing the states of the sites.
. (dot)
This command simply causes the current tree to be redisplayed. It is of use when the tree has partly disappeared off of the top of the screen owing to too many responses to commands being printed out at the bottom of the screen.

T ("Try rearrangements").
This command asks for the name of a node. The part of the tree at and above that node is removed from the tree. The program tries to re-insert it in each possible location on the tree (this may take some time, and the program reminds you to wait). Then it prints out a summary. For each possible location the program prints out the number of the node to the right of the place of insertion and the number of steps required in each case. These are divided into those that are better then or tied with the current tree. Once this summary is printed out, the group that was removed is reinserted into its original position. It is up to you to use the R command to actually carry out any of the arrangements that have been tried.
U ("Undo").
This command reverses the effect of the most recent rearrangement, outgroup re-rooting, or flipping of branches. It returns to the previous tree topology. It will be of great use when rearranging the tree and when a rearrangement proves worse than the preceding one -- it permits you to abandon the new one and return to the previous one without remembering its topology in detail.
W ("Write").
This command writes out the current tree onto a tree output file. If the file already has been written to by this run of DNAMOVE, it will ask you whether you want to replace the contents of the file, add the tree to the end of the file, or not write out the tree to the file. The tree is written in the standard format used by PHYLIP (a subset of the Newick standard). It is in the proper format to serve as the User-Defined Tree for setting up the initial tree in a subsequent run of the program. Note that if you provided the initial tree topology in a tree file and replace its contents, that initial tree will be lost.
O ("Outgroup").
This asks for the number of a node which is to be the outgroup. The tree will be redisplayed with that node as the left descendant of the bottom fork. Note that it is possible to use this to make a multi-species group the outgroup (i.e., you can give the number of an interior node of the tree as the outgroup, and the program will re-root the tree properly with that on the left of the bottom fork.
F ("Flip").
This asks for a node number and then flips the two branches at that node, so that the left-right order of branches at that node is changed. This does not actually change the tree topology (or the number of steps on that tree) but it does change the appearance of the tree.
C ("Clade").
When the data consist of more than 12 species (or more than half the number of lines on the screen if this is not 24), it may be difficult to display the tree on one screen. In that case the tree will be squeezed down to one line per species. This is too small to see all the interior states of the tree. The C command instructs the program to print out only that part of the tree (the "clade") from a certain node on up. The program will prompt you for the number of this node. Remember that thereafter you are not looking at the whole tree. To go back to looking at the whole tree give the C command again and enter "0" for the node number when asked. Most users will not want to use this option unless forced to.
H ("Help").
Prints a one-screen summary of what the commands do, a few words for each command.
? ("huh?").
A synonym for H. Same as Help command.
X ("Exit").
Exit from program. If the current tree has not yet been saved into a file, the program will first ask you whether it should be saved.
Q ("Quit").
A synonym for X. Same as the eXit command.

ADAPTING THE PROGRAM TO YOUR COMPUTER AND TO YOUR TERMINAL

As we have seen, the initial menu of the program allows you to choose among three screen types (PCDOS, Ansi, and none). We have tried to have the default values be correct for PC, Macintosh, and Unix screens. If the setting is "none" (which is necessary on Macintosh screens), the special graphics characters will not be used to indicate nucleotide states, but only letters will be used for the four nucleotides. This is less easy to look at.

MORE ABOUT THE PARSIMONY CRITERION

This program carries out unrooted parsimony (analogous to Wagner trees) (Eck and Dayhoff, 1966; Kluge and Farris, 1969) on DNA sequences. The method of Fitch (1971) is used to count the number of changes of base needed on a given tree. The assumptions of this method are exactly analogous to those of MIX:

  1. Each site evolves independently.
  2. Different lineages evolve independently.
  3. The probability of a base substitution at a given site is small over the lengths of time involved in a branch of the phylogeny.
  4. The expected amounts of change in different branches of the phylogeny do not vary by so much that two changes in a high-rate branch are more probable than one change in a low-rate branch.
  5. The expected amounts of change do not vary enough among sites that two changes in one site are more probable than one change in another.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

Change from an occupied site to a deletion is counted as one change. Reversion from a deletion to an occupied site is allowed and is also counted as one change.

Below is a test data set, but we cannot show the output it generates because of the interactive nature of the program.


DATA SET

   5   13
Alpha     AACGUGGCCA AAU
Beta      AAGGUCGCCA AAC
Gamma     CAUUUCGUCA CAA
Delta     GGUAUUUCGG CCU
Epsilon   GGGAUCUCGG CCC
./arbsrc_9167/GDE/PHYLIP/doc/dnapars.html0000644012664100000130000003320111213220011017604 0ustar arb_buildcoders main

version 3.6

DNAPARS -- DNA Parsimony Program

© Copyright 1986-2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program carries out unrooted parsimony (analogous to Wagner trees) (Eck and Dayhoff, 1966; Kluge and Farris, 1969) on DNA sequences. The method of Fitch (1971) is used to count the number of changes of base needed on a given tree. The assumptions of this method are analogous to those of MIX:

  1. Each site evolves independently.
  2. Different lineages evolve independently.
  3. The probability of a base substitution at a given site is small over the lengths of time involved in a branch of the phylogeny.
  4. The expected amounts of change in different branches of the phylogeny do not vary by so much that two changes in a high-rate branch are more probable than one change in a low-rate branch.
  5. The expected amounts of change do not vary enough among sites that two changes in one site are more probable than one change in another.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b, 1988), but also read the exchange between Felsenstein and Sober (1986).

Change from an occupied site to a deletion is counted as one change. Reversion from a deletion to an occupied site is allowed and is also counted as one change. Note that this in effect assumes that a deletion N bases long is N separate events.

Dnapars can handle both bifurcating and multifurcating trees. In doing its search for most parsimonious trees, it adds species not only by creating new forks in the middle of existing branches, but it also tries putting them at the end of new branches which are added to existing forks. Thus it searches among both bifurcating and multifurcating trees. If a branch in a tree does not have any characters which might change in that branch in the most parsimonious tree, it does not save that tree. Thus in any tree that results, a branch exists only if some character has a most parsimonious reconstruction that would involve change in that branch.

It also saves a number of trees tied for best (you can alter the number it saves using the V option in the menu). When rearranging trees, it tries rearrangements of all of the saved trees. This makes the algorithm slower than earlier versions of Dnapars.

The input data is standard. The first line of the input file contains the number of species and the number of sites.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:


DNA parsimony algorithm, version 3.6a3

Setting for this run:
  U                 Search for best tree?  Yes
  S                        Search option?  More thorough search
  V              Number of trees to save?  100
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  T              Use Threshold parsimony?  No, use ordinary parsimony
  N           Use Transversion parsimony?  No, count all steps
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4          Print out steps in each site  No
  5  Print sequences at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The N option allows you to choose transversion parsimony, which counts only transversions (changes between one of the purines A or G and one of the pyrimidines C or T). This setting is turned off by default.

The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file, with integer weights from 0 to 35 allowed by using the characters 0, 1, 2, ..., 9 and A, B, ... Z.

The User tree (option U) is read from a file whose default name is intree. The trees can be multifurcating. They must be preceded in the file by a line giving the number of trees in the file.

The options J, O, T, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The M (multiple data sets option) will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights.

The O (outgroup) option will have no effect if the U (user-defined tree) option is in effect. The T (threshold) option allows a continuum of methods between parsimony and compatibility. Thresholds less than or equal to 1.0 do not have any meaning and should not be used: they will result in a tree dependent only on the input order of species and not at all on the data!

Output is standard: if option 1 is toggled on, the data is printed out, with the convention that "." means "the same as in the first species". Then comes a list of equally parsimonious trees. Each tree has branch lengths. These are computed using an algorithm published by Hochbaum and Pathria (1997) which I first heard of from Wayne Maddison who invented it independently of them. This algorithm averages the number of reconstructed changes of state over all sites a over all possible most parsimonious placements of the changes of state among branches. Note that it does not correct in any way for multiple changes that overlay each other.

If option 2 is toggled on a table of the number of changes of state required in each character is also printed. If option 5 is toggled on, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. This is a reconstruction of the ancestral sequences in the tree. If you choose option 5, a menu item D appears which gives you the opportunity to turn off dot-differencing so that complete ancestral sequences are shown. If the inferred state is a "?" or one of the IUB ambiguity symbols, there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand. A "?" in the reconstructed states means that in addition to one or more bases, a deletion may or may not be present. If option 6 is left in its default state the trees found will be written to a tree file, so that they are available to be used in other programs.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the best tree. This test, which is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences due to Kishino and Hasegawa (1989), and uses the mean and variance of step differences between trees, taken across sites. If the mean is more than 1.96 standard deviations different then the trees are declared significantly different. The program prints out a table of the steps for each tree, the differences of each from the best one, the variance of that quantity as determined by the step differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. If the U (User Tree) option is used and more than one tree is supplied, and the program is not told to assume autocorrelation between the rates at different sites, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, this is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences due to Kishino and Hasegawa (1989) It uses the mean and variance of the differences in the number of steps between trees, taken across sites. If the two trees' means are more than 1.96 standard deviations different, then the trees are declared significantly different.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sums of steps across sites are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected number of steps, numbers of steps for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the lowest number of steps exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the number of steps for each tree, the differences of each from the lowest one, the variance of that quantity as determined by the differences of the numbers of steps at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one.

Option 6 in the menu controls whether the tree estimated by the program is written onto a tree file. The default name of this output tree file is "outtree". If the U option is in effect, all the user-defined trees are written to the output tree file.

The program is a straightforward relative of MIX and runs reasonably quickly, especially with many sites and few species.


TEST DATA SET

 
   5   13
Alpha     AACGUGGCCAAAU
Beta      AAGGUCGCCAAAC
Gamma     CAUUUCGUCACAA
Delta     GGUAUUUCGGCCU
Epsilon   GGGAUCUCGGCCC


CONTENTS OF OUTPUT FILE (if all numerical options are on)


DNA parsimony algorithm, version 3.6a3

 5 species,  13  sites


Name            Sequences
----            ---------

Alpha        AACGUGGCCA AAU
Beta         ..G..C.... ..C
Gamma        C.UU.C.U.. C.A
Delta        GGUA.UU.GG CC.
Epsilon      GGGA.CU.GG CCC



One most parsimonious tree found:


                                            +-----Epsilon   
               +----------------------------3  
  +------------2                            +-------Delta     
  |            |  
  |            +----------------Gamma     
  |  
  1----Beta      
  |  
  +---------Alpha     


requires a total of     19.000

  between      and       length
  -------      ---       ------
     1           2       0.217949
     2           3       0.487179
     3      Epsilon      0.096154
     3      Delta        0.134615
     2      Gamma        0.275641
     1      Beta         0.076923
     1      Alpha        0.173077

steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       2   1   3   2   0   2   1   1   1
   10|   1   1   1   3                        

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                AABGTCGCCA AAY
   1      2         yes    V.KD...... C..
   2      3         yes    GG.A..T.GG .C.
   3   Epsilon     maybe   ..G....... ..C
   3   Delta        yes    ..T..T.... ..T
   2   Gamma        yes    C.TT...T.. ..A
   1   Beta        maybe   ..G....... ..C
   1   Alpha        yes    ..C..G.... ..T


./arbsrc_9167/GDE/PHYLIP/doc/dnapenny.html0000644012664100000130000007505411213220011020004 0ustar arb_buildcoders dnapenny

version 3.6

DNAPENNY - Branch and bound to find
all most parsimonious trees
for nucleic acid sequence parsimony criteria

© Copyright 1986-2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DNAPENNY is a program that will find all of the most parsimonious trees implied by your data when the nucleic acid sequence parsimony criterion is employed. It does so not by examining all possible trees, but by using the more sophisticated "branch and bound" algorithm, a standard computer science search strategy first applied to phylogenetic inference by Hendy and Penny (1982). (J. S. Farris [personal communication, 1975] had also suggested that this strategy, which is well-known in computer science, might be applied to phylogenies, but he did not publish this suggestion).

There is, however, a price to be paid for the certainty that one has found all members of the set of most parsimonious trees. The problem of finding these has been shown (Graham and Foulds, 1982; Day, 1983) to be NP-complete, which is equivalent to saying that there is no fast algorithm that is guaranteed to solve the problem in all cases (for a discussion of NP-completeness, see the Scientific American article by Lewis and Papadimitriou, 1978). The result is that this program, despite its algorithmic sophistication, is VERY SLOW.

The program should be slower than the other tree-building programs in the package, but useable up to about ten species. Above this it will bog down rapidly, but exactly when depends on the data and on how much computer time you have (it may be more effective in the hands of someone who can let a microcomputer grind all night than for someone who has the "benefit" of paying for time on the campus mainframe computer). IT IS VERY IMPORTANT FOR YOU TO GET A FEEL FOR HOW LONG THE PROGRAM WILL TAKE ON YOUR DATA. This can be done by running it on subsets of the species, increasing the number of species in the run until you either are able to treat the full data set or know that the program will take unacceptably long on it. (Making a plot of the logarithm of run time against species number may help to project run times).

The Algorithm

The search strategy used by DNAPENNY starts by making a tree consisting of the first two species (the first three if the tree is to be unrooted). Then it tries to add the next species in all possible places (there are three of these). For each of the resulting trees it evaluates the number of base substitutions. It adds the next species to each of these, again in all possible spaces. If this process would continue it would simply generate all possible trees, of which there are a very large number even when the number of species is moderate (34,459,425 with 10 species). Actually it does not do this, because the trees are generated in a particular order and some of them are never generated.

This is because the order in which trees are generated is not quite as implied above, but is a "depth-first search". This means that first one adds the third species in the first possible place, then the fourth species in its first possible place, then the fifth and so on until the first possible tree has been produced. For each tree the number of steps is evaluated. Then one "backtracks" by trying the alternative placements of the last species. When these are exhausted one tries the next placement of the next-to-last species. The order of placement in a depth-first search is like this for a four-species case (parentheses enclose monophyletic groups):

     Make tree of first two species:     (A,B)
          Add C in first place:     ((A,B),C)
               Add D in first place:     (((A,D),B),C)
               Add D in second place:     ((A,(B,D)),C)
               Add D in third place:     (((A,B),D),C)
               Add D in fourth place:     ((A,B),(C,D))
               Add D in fifth place:     (((A,B),C),D)
          Add C in second place:     ((A,C),B)
               Add D in first place:     (((A,D),C),B)
               Add D in second place:     ((A,(C,D)),B)
               Add D in third place:     (((A,C),D),B)
               Add D in fourth place:     ((A,C),(B,D))
               Add D in fifth place:     (((A,C),B),D)
          Add C in third place:     (A,(B,C))
               Add D in first place:     ((A,D),(B,C))
               Add D in second place:     (A,((B,D),C))
               Add D in third place:     (A,(B,(C,D)))
               Add D in fourth place:     (A,((B,C),D))
               Add D in fifth place:     ((A,(B,C)),D)

Among these fifteen trees you will find all of the four-species rooted trees, each exactly once (the parentheses each enclose a monophyletic group). As displayed above, the backtracking depth-first search algorithm is just another way of producing all possible trees one at a time. The branch and bound algorithm consists of this with one change. As each tree is constructed, including the partial trees such as (A,(B,C)), its number of steps is evaluated. In addition a prediction is made as to how many steps will be added, at a minimum, as further species are added.

This is done by counting how many sites which are invariant in the data up the most recent species added will ultimately show variation when further species are added. Thus if 20 sites vary among species A, B, and C and their root, and if tree ((A,C),B) requires 24 steps, then if there are 8 more sites which will be seen to vary when species D is added, we can immediately say that no matter how we add D, the resulting tree can have no less than 24 + 8 = 32 steps. The point of all this is that if a previously-found tree such as ((A,B),(C,D)) required only 30 steps, then we know that there is no point in even trying to add D to ((A,C),B). We have computed the bound that enables us to cut off a whole line of inquiry (in this case five trees) and avoid going down that particular branch any farther.

The branch-and-bound algorithm thus allows us to find all most parsimonious trees without generating all possible trees. How much of a saving this is depends strongly on the data. For very clean (nearly "Hennigian") data, it saves much time, but on very messy data it will still take a very long time.

The algorithm in the program differs from the one outlined here in some essential details: it investigates possibilities in the order of their apparent promise. This applies to the order of addition of species, and to the places where they are added to the tree. After the first two-species tree is constructed, the program tries adding each of the remaining species in turn, each in the best possible place it can find. Whichever of those species adds (at a minimum) the most additional steps is taken to be the one to be added next to the tree. When it is added, it is added in turn to places which cause the fewest additional steps to be added. This sounds a bit complex, but it is done with the intention of eliminating regions of the search of all possible trees as soon as possible, and lowering the bound on tree length as quickly as possible. This process of evaluating which species to add in which order goes on the first time the search makes a tree; thereafter it uses that order.

The program keeps a list of all the most parsimonious trees found so far. Whenever it finds one that has fewer losses than these, it clears out the list and restarts it with that tree. In the process the bound tightens and fewer possibilities need be investigated. At the end the list contains all the shortest trees. These are then printed out. It should be mentioned that the program CLIQUE for finding all largest cliques also works by branch-and-bound. Both problems are NP-complete but for some reason CLIQUE runs far faster. Although their worst-case behavior is bad for both programs, those worst cases occur far more frequently in parsimony problems than in compatibility problems.

Controlling Run Times

Among the quantities available to be set from the menu of DNAPENNY, two (howoften and howmany) are of particular importance. As DNAPENNY goes along it will keep count of how many trees it has examined. Suppose that howoften is 100 and howmany is 1000, the default settings. Every time 100 trees have been examined, DNAPENNY will print out a line saying how many multiples of 100 trees have now been examined, how many steps the most parsimonious tree found so far has, how many trees of with that number of steps have been found, and a very rough estimate of what fraction of all trees have been looked at so far.

When the number of these multiples printed out reaches the number howmany (say 1000), the whole algorithm aborts and prints out that it has not found all most parsimonious trees, but prints out what is has got so far anyway. These trees need not be any of the most parsimonious trees: they are simply the most parsimonious ones found so far. By setting the product (howoften times howmany) large you can make the algorithm less likely to abort, but then you risk getting bogged down in a gigantic computation. You should adjust these constants so that the program cannot go beyond examining the number of trees you are reasonably willing to pay for (or wait for). In their initial setting the program will abort after looking at 100,000 trees. Obviously you may want to adjust howoften in order to get more or fewer lines of intermediate notice of how many trees have been looked at so far. Of course, in small cases you may never even reach the first multiple of howoften, and nothing will be printed out except some headings and then the final trees.

The indication of the approximate percentage of trees searched so far will be helpful in judging how much farther you would have to go to get the full search. Actually, since that fraction is the fraction of the set of all possible trees searched or ruled out so far, and since the search becomes progressively more efficient, the approximate fraction printed out will usually be an underestimate of how far along the program is, sometimes a serious underestimate.

A constant at the beginning of the program that affects the result is "maxtrees", which controls the maximum number of trees that can be stored. Thus if maxtrees is 25, and 32 most parsimonious trees are found, only the first 25 of these are stored and printed out. If maxtrees is increased, the program does not run any slower but requires a little more intermediate storage space. I recommend that maxtrees be kept as large as you can, provided you are willing to look at an output with that many trees on it! Initially, maxtrees is set to 100 in the distribution copy.

Method and Options

The counting of the length of trees is done by an algorithm nearly identical to the corresponding algorithms in DNAPARS, and thus the remainder of this document will be nearly identical to the DNAPARS document.

This program carries out unrooted parsimony (analogous to Wagner trees) (Eck and Dayhoff, 1966; Kluge and Farris, 1969) on DNA sequences. The method of Fitch (1971) is used to count the number of changes of base needed on a given tree. The assumptions of this method are exactly analogous to those of DNAPARS:

  1. Each site evolves independently.
  2. Different lineages evolve independently.
  3. The probability of a base substitution at a given site is small over the lengths of time involved in a branch of the phylogeny.
  4. The expected amounts of change in different branches of the phylogeny do not vary by so much that two changes in a high-rate branch are more probable than one change in a low-rate branch.
  5. The expected amounts of change do not vary enough among sites that two changes in one site are more probable than one change in another.

Change from an occupied site to a deletion is counted as one change. Reversion from a deletion to an occupied site is allowed and is also counted as one change.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

Change from an occupied site to a deletion is counted as one change. Reversion from a deletion to an occupied site is allowed and is also counted as one change. Note that this in effect assumes that a deletion N bases long is N separate events.

The input data is standard. The first line of the input file contains the number of species and the number of sites. If the Weights option is being used, there must also be a W in this first line to signal its presence. There are only two options requiring information to be present in the input file, W (Weights) and U (User tree). All options other than W (including U) are invoked using the menu.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:


Penny algorithm for DNA, version 3.6a3
 branch-and-bound to find all most parsimonious trees

Settings for this run:
  H        How many groups of  100 trees:  1000
  F        How often to report, in trees:   100
  S           Branch and bound is simple?  Yes
  O                        Outgroup root?  No, use as outgroup species  1
  T              Use Threshold parsimony?  No, use ordinary parsimony
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4          Print out steps in each site  No
  5  Print sequences at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options O, T, W, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The T (threshold) option allows a continuum of methods between parsimony and compatibility. Thresholds less than or equal to 1.0 do not have any meaning and should not be used: they will result in a tree dependent only on the input order of species and not at all on the data!

The W (Weights) option allows only weights of 0 or 1.

The M (Multiple data sets) option for this program does not allow multiple sets of weights. We hope to change this soon.

The options H, F, and S are not found in the other molecular sequence programs. H (How many) allows the user to set the quantity howmany, which we have already seen controls number of times that the program will report on its progress. F allows the user to set the quantity howoften, which sets how often it will report -- after scanning how many trees.

The S (Simple) option alters a step in DNAPENNY which reconsiders the order in which species are added to the tree. Normally the decision as to what species to add to the tree next is made as the first tree is being constructed; that ordering of species is not altered subsequently. The S option causes it to be continually reconsidered. This will probably result in a substantial increase in run time, but on some data sets of intermediate messiness it may help. It is included in case it might prove of use on some data sets.

Output is standard: if option 1 is toggled on, the data is printed out, with the convention that "." means "the same as in the first species". Then comes a list of equally parsimonious trees, and (if option 2 is toggled on) a table of the number of changes of state required in each character. If option 5 is toggled on, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" or one of the IUB ambiguity symbols, there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand. A "?" in the reconstructed states means that in addition to one or more bases, a deletion may or may not be present. If option 6 is left in its default state the trees found will be written to a tree file, so that they are available to be used in other programs.


TEST DATA SET

    8    6
Alpha1    AAGAAG
Alpha2    AAGAAG
Beta1     AAGGGG
Beta2     AAGGGG
Gamma1    AGGAAG
Gamma2    AGGAAG
Delta     GGAGGA
Epsilon   GGAAAG


CONTENTS OF OUTPUT FILE (if all numerical options are on)


Penny algorithm for DNA, version 3.6a3
 branch-and-bound to find all most parsimonious trees


requires a total of              8.000

     9 trees in all found




  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !              +--3  
  !           +--7  +--Epsilon   
  1           !  !  
  !     +-----6  +-----Gamma2    
  !     !     !  
  !  +--4     +--------Gamma1    
  !  !  !  
  !  !  !           +--Beta2     
  +--2  +-----------5  
     !              +--Beta1     
     !  
     +-----------------Alpha2    

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      2         no     AAGAAG
   2      4         no     AAGAAG
   4      6         yes    AGGAAG
   6      7         no     AGGAAG
   7      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   7   Gamma2       no     AGGAAG
   6   Gamma1       no     AGGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG
   2   Alpha2       no     AAGAAG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !           +-----3  
  !           !     +--Epsilon   
  1     +-----6  
  !     !     !     +--Gamma2    
  !     !     +-----7  
  !  +--4           +--Gamma1    
  !  !  !  
  !  !  !           +--Beta2     
  +--2  +-----------5  
     !              +--Beta1     
     !  
     +-----------------Alpha2    

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      2         no     AAGAAG
   2      4         no     AAGAAG
   4      6         yes    AGGAAG
   6      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   6      7         no     AGGAAG
   7   Gamma2       no     AGGAAG
   7   Gamma1       no     AGGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG
   2   Alpha2       no     AAGAAG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !              +--3  
  !           +--6  +--Epsilon   
  1           !  !  
  !     +-----7  +-----Gamma1    
  !     !     !  
  !  +--4     +--------Gamma2    
  !  !  !  
  !  !  !           +--Beta2     
  +--2  +-----------5  
     !              +--Beta1     
     !  
     +-----------------Alpha2    

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      2         no     AAGAAG
   2      4         no     AAGAAG
   4      7         yes    AGGAAG
   7      6         no     AGGAAG
   6      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   6   Gamma1       no     AGGAAG
   7   Gamma2       no     AGGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG
   2   Alpha2       no     AAGAAG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !              +--3  
  1           +--7  +--Epsilon   
  !           !  !  
  !  +--------6  +-----Gamma2    
  !  !        !  
  !  !        +--------Gamma1    
  +--2  
     !              +--Beta2     
     !           +--5  
     +-----------4  +--Beta1     
                 !  
                 +-----Alpha2    

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      2         no     AAGAAG
   2      6         yes    AGGAAG
   6      7         no     AGGAAG
   7      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   7   Gamma2       no     AGGAAG
   6   Gamma1       no     AGGAAG
   2      4         no     AAGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG
   4   Alpha2       no     AAGAAG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !           +-----3  
  1           !     +--Epsilon   
  !  +--------6  
  !  !        !     +--Gamma2    
  !  !        +-----7  
  +--2              +--Gamma1    
     !  
     !              +--Beta2     
     !           +--5  
     +-----------4  +--Beta1     
                 !  
                 +-----Alpha2    

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      2         no     AAGAAG
   2      6         yes    AGGAAG
   6      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   6      7         no     AGGAAG
   7   Gamma2       no     AGGAAG
   7   Gamma1       no     AGGAAG
   2      4         no     AAGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG
   4   Alpha2       no     AAGAAG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !              +--3  
  1           +--6  +--Epsilon   
  !           !  !  
  !  +--------7  +-----Gamma1    
  !  !        !  
  !  !        +--------Gamma2    
  +--2  
     !              +--Beta2     
     !           +--5  
     +-----------4  +--Beta1     
                 !  
                 +-----Alpha2    

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      2         no     AAGAAG
   2      7         yes    AGGAAG
   7      6         no     AGGAAG
   6      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   6   Gamma1       no     AGGAAG
   7   Gamma2       no     AGGAAG
   2      4         no     AAGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG
   4   Alpha2       no     AAGAAG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !              +--3  
  !           +--7  +--Epsilon   
  1           !  !  
  !        +--6  +-----Gamma2    
  !        !  !  
  !  +-----2  +--------Gamma1    
  !  !     !  
  +--4     +-----------Alpha2    
     !  
     !              +--Beta2     
     +--------------5  
                    +--Beta1     

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      4         no     AAGAAG
   4      2         no     AAGAAG
   2      6         yes    AGGAAG
   6      7         no     AGGAAG
   7      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   7   Gamma2       no     AGGAAG
   6   Gamma1       no     AGGAAG
   2   Alpha2       no     AAGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !           +-----3  
  !           !     +--Epsilon   
  1        +--6  
  !        !  !     +--Gamma2    
  !  +-----2  +-----7  
  !  !     !        +--Gamma1    
  !  !     !  
  +--4     +-----------Alpha2    
     !  
     !              +--Beta2     
     +--------------5  
                    +--Beta1     

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      4         no     AAGAAG
   4      2         no     AAGAAG
   2      6         yes    AGGAAG
   6      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   6      7         no     AGGAAG
   7   Gamma2       no     AGGAAG
   7   Gamma1       no     AGGAAG
   2   Alpha2       no     AAGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG





  +--------------------Alpha1    
  !  
  !                 +--Delta     
  !              +--3  
  !           +--6  +--Epsilon   
  1           !  !  
  !        +--7  +-----Gamma1    
  !        !  !  
  !  +-----2  +--------Gamma2    
  !  !     !  
  +--4     +-----------Alpha2    
     !  
     !              +--Beta2     
     +--------------5  
                    +--Beta1     

  remember: this is an unrooted tree!


steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                            
          1                AAGAAG
   1   Alpha1       no     AAGAAG
   1      4         no     AAGAAG
   4      2         no     AAGAAG
   2      7         yes    AGGAAG
   7      6         no     AGGAAG
   6      3         yes    GGAAAG
   3   Delta        yes    GGAGGA
   3   Epsilon      no     GGAAAG
   6   Gamma1       no     AGGAAG
   7   Gamma2       no     AGGAAG
   2   Alpha2       no     AAGAAG
   4      5         yes    AAGGGG
   5   Beta2        no     AAGGGG
   5   Beta1        no     AAGGGG


./arbsrc_9167/GDE/PHYLIP/doc/dollop.html0000644012664100000130000003275111213220011017456 0ustar arb_buildcoders dollop

version 3.6

DOLLOP -- Dollo and Polymorphism Parsimony Program

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program carries out the Dollo and polymorphism parsimony methods. The Dollo parsimony method was first suggested in print in verbal form by Le Quesne (1974) and was first well-specified by Farris (1977). The method is named after Louis Dollo since he was one of the first to assert that in evolution it is harder to gain a complex feature than to lose it. The algorithm explains the presence of the state 1 by allowing up to one forward change 0-->1 and as many reversions 1-->0 as are necessary to explain the pattern of states seen. The program attempts to minimize the number of 1-->0 reversions necessary.

The assumptions of this method are in effect:

  1. We know which state is the ancestral one (state 0).
  2. The characters are evolving independently.
  3. Different lineages evolve independently.
  4. The probability of a forward change (0-->1) is small over the evolutionary times involved.
  5. The probability of a reversion (1-->0) is also small, but still far larger than the probability of a forward change, so that many reversions are easier to envisage than even one extra forward change.
  6. Retention of polymorphism for both states (0 and 1) is highly improbable.
  7. The lengths of the segments of the true tree are not so unequal that two changes in a long segment are as probable as one in a short segment.

One problem can arise when using additive binary recoding to represent a multistate character as a series of two-state characters. Unlike the Camin-Sokal, Wagner, and Polymorphism methods, the Dollo method can reconstruct ancestral states which do not exist. An example is given in my 1979 paper. It will be necessary to check the output to make sure that this has not occurred.

The polymorphism parsimony method was first used by me, and the results published (without a clear specification of the method) by Inger (1967). The method was independently published by Farris (1978a) and by me (1979). The method assumes that we can explain the pattern of states by no more than one origination (0-->1) of state 1, followed by retention of polymorphism along as many segments of the tree as are necessary, followed by loss of state 0 or of state 1 where necessary. The program tries to minimize the total number of polymorphic characters, where each polymorphism is counted once for each segment of the tree in which it is retained.

The assumptions of the polymorphism parsimony method are in effect:

  1. The ancestral state (state 0) is known in each character.
  2. The characters are evolving independently of each other.
  3. Different lineages are evolving independently.
  4. Forward change (0-->1) is highly improbable over the length of time involved in the evolution of the group.
  5. Retention of polymorphism is also improbable, but far more probable that forward change, so that we can more easily envisage much polymorhism than even one additional forward change.
  6. Once state 1 is reached, reoccurrence of state 0 is very improbable, much less probable than multiple retentions of polymorphism.
  7. The lengths of segments in the true tree are not so unequal that we can more easily envisage retention events occurring in both of two long segments than one retention in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

The input format is the standard one, with "?", "P", "B" states allowed. The options are selected using a menu:


Dollo and polymorphism parsimony algorithm, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  P                     Parsimony method?  Dollo
  J     Randomize input order of species?  No. Use input order
  T              Use Threshold parsimony?  No, use ordinary parsimony
  A   Use ancestral states in input file?  No
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4     Print out steps in each character  No
  5     Print states at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The options U, J, T, A, and M are the usual User Tree, Jumble, Ancestral States, and Multiple Data Sets options, described either in the main documentation file or in the Discrete Characters Programs documentation file. The A (Ancestral States) option allows implementation of the unordered Dollo parsimony and unordered polymorphism parsimony methods which I have described elsewhere (1984b). When the A option is used the ancestor is not to be counted as one of the species. The O (outgroup) option is not available since the tree produced is already rooted. Since the Dollo and polymorphism methods produce a rooted tree, the user-defined trees required by the U option have two-way forks at each level.

The P (Parsimony Method) option is the one that toggles between polymorphism parsimony and Dollo parsimony. The program defaults to Dollo parsimony.

The T (Threshold) option has already been described in the Discrete Characters programs documentation file. Setting T at or below 1.0 but above 0 causes the criterion to become compatibility rather than polymorphism parsimony, although there is no advantage to using this program instead of MIX to do a compatibility method. Setting the threshold value higher brings about an intermediate between the Dollo or polymorphism parsimony methods and the compatibility method, so that there is some rationale for doing that. Since the Dollo and polymorphism methods produces a rooted tree, the user-defined trees required by the U option have two-way forks at each level.

Using a threshold value of 1.0 or lower, but above 0, one can obtain a rooted (or, if the A option is used with ancestral states of "?", unrooted) compatibility criterion, but there is no particular advantage to using this program for that instead of MIX. Higher threshold values are of course meaningful and provide intermediates between Dollo and compatibility methods.

The X (Mixed parsimony methods) option is not available in this program. The Factors option is also not available in this program, as it would have no effect on the result even if that information were provided in the input file.

Output is standard: a list of equally parsimonious trees, and, if the user selects menu option 4, a table of the numbers of reversions or retentions of polymorphism necessary in each character. If any of the ancestral states has been specified to be unknown, a table of reconstructed ancestral states is also provided. When reconstructing the placement of forward changes and reversions under the Dollo method, keep in mind that each polymorphic state in the input data will require one "last minute" reversion. This is included in the tabulated counts. Thus if we have both states 0 and 1 at a tip of the tree the program will assume that the lineage had state 1 up to the last minute, and then state 0 arose in that population by reversion, without loss of state 1.

If the user selects menu option 5, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" there may be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand.

If the A option is used, then the program will infer, for any character whose ancestral state is unknown ("?") whether the ancestral state 0 or 1 will give the best tree. If these are tied, then it may not be possible for the program to infer the state in the internal nodes, and these will all be printed as ".". If this has happened and you want to know more about the states at the internal nodes, you will find helpful to use DOLMOVE to display the tree and examine its interior states, as the algorithm in DOLMOVE shows all that can be known in this case about the interior states, including where there is and is not amibiguity. The algorithm in DOLLOP gives up more easily on displaying these states.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the best tree. This test, which is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences invented by Kishino and Hasegawa (1989), and uses the mean and variance of step differences between trees, taken across characters. If the mean is more than 1.96 standard deviations different then the trees are declared significantly different. The program prints out a table of the steps for each tree, the differences of each from the highest one, the variance of that quantity as determined by the step differences at individual characters, and a conclusion as to whether that tree is or is not significantly worse than the best one. It is important to understand that the test assumes that all the binary characters are evolving independently, which is unlikely to be true for many suites of morphological characters.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sums of steps across characters are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected number of steps, numbers of steps for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the lowest number of steps exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the number of steps for each tree, the differences of each from the lowest one, the variance of that quantity as determined by the differences of the numbers of steps at individual characters, and a conclusion as to whether that tree is or is not significantly worse than the best one.

At the beginning of the program is the constant "maxtrees", the maximum number of trees which the program will store for output.

The algorithm is a fairly simple adaptation of the one used in the program SOKAL, which was formerly in this package and has been superseded by MIX. It requires two passes through each tree to count the numbers of reversions.


TEST DATA SET

     5    6
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110


TEST SET OUTPUT (with all numerical options on)


Dollo and polymorphism parsimony algorithm, version 3.6a3

 5 species,   6  characters

Dollo parsimony method


Name         Characters
----         ----------

Alpha        11011 0
Beta         11000 0
Gamma        10011 0
Delta        00100 1
Epsilon      00111 0



One most parsimonious tree found:




  +-----------Delta     
--3  
  !  +--------Epsilon   
  +--4  
     !  +-----Gamma     
     +--2  
        !  +--Beta      
        +--1  
           +--Alpha     


requires a total of      3.000

 reversions in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       0   0   1   1   1   0            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

root      3         yes    ..1.. .
  3    Delta        yes    ..... 1
  3       4         yes    ...11 .
  4    Epsilon      no     ..... .
  4       2         yes    1.0.. .
  2    Gamma        no     ..... .
  2       1         yes    .1... .
  1    Beta         yes    ...00 .
  1    Alpha        no     ..... .


./arbsrc_9167/GDE/PHYLIP/doc/dolmove.html0000644012664100000130000004466711213220011017643 0ustar arb_buildcoders dolmove

version 3.6

DOLMOVE -- Interactive Dollo and Polymorphism Parsimony

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DOLMOVE is an interactive parsimony program which uses the Dollo and Polymorphism parsimony criteria. It is inspired on Wayne Maddison and David Maddison's marvellous program MacClade, which is written for Apple MacIntosh computers. DOLMOVE reads in a data set which is prepared in almost the same format as one for the Dollo and polymorhism parsimony program DOLLOP. It allows the user to choose an initial tree, and displays this tree on the screen. The user can look at different characters and the way their states are distributed on that tree, given the most parsimonious reconstruction of state changes for that particular tree. The user then can specify how the tree is to be rearraranged, rerooted or written out to a file. By looking at different rearrangements of the tree the user can manually search for the most parsimonious tree, and can get a feel for how different characters are affected by changes in the tree topology.

This program is compatible with fewer computer systems than the other programs in PHYLIP. It can be adapted to PCDOS systems or to any system whose screen or terminals emulate DEC VT100 terminals (such as Telnet programs for logging in to remote computers over a TCP/IP network, VT100-compatible windows in the X windowing system, and any terminal compatible with ANSI standard terminals). For any other screen types, there is a generic option which does not make use of screen graphics characters to display the character states. This will be less effective, as the states will be less easy to see when displayed.

The input data file is set up almost identically to the data files for DOLLOP.

The user interaction starts with the program presenting a menu. The menu looks like this:


Interactive Dollo or polymorphism parsimony, version 3.6a3

Settings for this run:
  P                        Parsimony method?  Dollo
  A                     Use ancestral states?  No
  F                  Use factors information?  No
  W                           Sites weighted?  No
  T                 Use Threshold parsimony?  No, use ordinary parsimony
  A      Use ancestral states in input file?  No
  U Initial tree (arbitrary, user, specify)?  Arbitrary
  0      Graphics type (IBM PC, ANSI, none)?  (none)
  L               Number of lines on screen?  24
  S                Width of terminal screen?  80


Are these settings correct? (type Y or the letter for one to change)

The P (Parsimony Method) option is the one that toggles between polymorphism parsimony and Dollo parsimony. The program defaults to Dollo parsimony.

The T (Threshold), F (Factors), A (Ancestors), and 0 (Graphics type) options are the usual ones and are described in the main documentation page and in the Discrete Characters Program documentation page. (Note: at present DOLMOVE actully does not use the A (Ancestral states) information). The F (Factors) option is used to inform the program which groups of characters are to be counted together in computing the number of characters compatible with the tree. Thus if three binary characters are all factors of the same multistate character, the multistate character will be counted as compatible with the tree only if all three factors are compatible with it.

The L option allows the program to take advantage of larger screens if available. The X (Mixed Methods option is not available in DOLMOVE. The U (initial tree) option allows the user to choose whether the initial tree is to be arbitrary, interactively specified by the user, or read from a tree file. Typing U causes the program to change among the three possibilities in turn. I would recommend that for a first run, you allow the tree to be set up arbitrarily (the default), as the "specify" choice is difficult to use and the "user tree" choice requires that you have available a tree file with the tree topology of the initial tree. Its default name is intree. The program will ask you for its name if it looks for the input tree file and does not find one of this name. If you wish to set up some particular tree you can also do that by the rearrangement commands specified below. The T (threshold) option allows a continuum of methods between parsimony and compatibility. Thresholds less than or equal to 0 do not have any meaning and should not be used: they will result in a tree dependent only on the input order of species and not at all on the data! Note that the usual W (Weights) option is not available in MOVE. We hope to add it soon.

After the initial menu is displayed and the choices are made, the program then sets up an initial tree and displays it. Below it will be a one-line menu of possible commands, which looks like this:

NEXT? (Options: R # + - S . T U W O F C H ? X Q) (H or ? for Help)

If you type H or ? you will get a single screen showing a description of each of these commands in a few words. Here are slightly more detailed descriptions:

R
("Rearrange"). This command asks for the number of a node which is to be removed from the tree. It and everything to the right of it on the tree is to be removed (by breaking the branch immediately below it). The command also asks for the number of a node below which that group is to be inserted. If an impossible number is given, the program refuses to carry out the rearrangement and asks for a new command. The rearranged tree is displayed: it will often have a different number of steps than the original. If you wish to undo a rearrangement, use the Undo command, for which see below.

#
This command, and the +, - and S commands described below, determine which character has its states displayed on the branches of the trees. The initial tree displayed by the program does not show states of sites. When # is typed, the program does not ask the user which character is to be shown but automatically shows the states of the next binary character that is not compatible with the tree (the next character that does not perfectly fit the current tree). The search for this character "wraps around" so that if it reaches the last character without finding one that is not compatible with the tree, the search continues at the first character; if no incompatible character is found the current character is shown, and if no current character is shown then the first character is shown. If the last character has been reached, using + again causes the first character to be shown. The display takes the form of different symbols or textures on the branches of the tree. The state of each branch is actually the state of the node above it. A key of the symbols or shadings used for states 0, 1 and ? are shown next to the tree. State ? means that either state 0 or state 1 could exist at that point on the tree, and that the user may want to consider the different possibilities, which are usually apparent by inspection.
+
This command is the same as # except that it goes forward one character, showing the states of the next character. If no character has been shown, using + will cause the first character to be shown. Once the last character has been reached, using + again will show the first character.

-
This command is the same as + except that it goes backwards, showing the states of the previous character. If no character has been shown, using - will cause the last character to be shown. Once character number 1 has been reached, using - again will show the last character.

S
("Show"). This command is the same as + and - except that it causes the program to ask you for the number of a character. That character is the one whose states will be displayed. If you give the character number as 0, the program will go back to not showing the states of the characters.

. (dot)
This command simply causes the current tree to be redisplayed. It is of use when the tree has partly disappeared off of the top of the screen owing to too many responses to commands being printed out at the bottom of the screen.

T
("Try rearrangements"). This command asks for the name of a node. The part of the tree at and above that node is removed from the tree. The program tries to re-insert it in each possible location on the tree (this may take some time, and the program reminds you to wait). Then it prints out a summary. For each possible location the program prints out the number of the node to the right of the place of insertion and the number of steps required in each case. These are divided into those that are better, tied, or worse than the current tree. Once this summary is printed out, the group that was removed is inserted into its original position. It is up to you to use the R command to actually carry out any the arrangements that have been tried.

U
("Undo"). This command reverses the effect of the most recent rearrangement, outgroup re-rooting, or flipping of branches. It returns to the previous tree topology. It will be of great use when rearranging the tree and when a rearrangement proves worse than the preceding one -- it permits you to abandon the new one and return to the previous one without remembering its topology in detail.

W
("Write"). This command writes out the current tree onto a tree output file. If the file already has been written to by this run of DOLMOVE, it will ask you whether you want to replace the contents of the file, add the tree to the end of the file, or not write out the tree to the file. The tree is written in the standard format used by PHYLIP (a subset of the Newick standard). It is in the proper format to serve as the User-Defined Tree for setting up the initial tree in a subsequent run of the program.

O
("Outgroup"). This asks for the number of a node which is to be the outgroup. The tree will be redisplayed with that node as the left descendant of the bottom fork. The number of steps required on the tree may change on re-rooting. Note that it is possible to use this to make a multi-species group the outgroup (i.e., you can give the number of an interior node of the tree as the outgroup, and the program will re-root the tree properly with that on the left of the bottom fork).

F
("Flip"). This asks for a node number and then flips the two branches at that, so that the left-right order of branches at that node is changed. This does not actually change the tree topology (or the number of steps on that tree) but it does change the appearance of the tree.

C
("Clade"). When the data consist of more than 12 species (or more than half the number of lines on the screen if this is not 24), it may be difficult to display the tree on one screen. In that case the tree will be squeezed down to one line per species. This is too small to see all the interior states of the tree. The C command instructs the program to print out only that part of the tree (the "clade") from a certain node on up. The program will prompt you for the number of this node. Remember that thereafter you are not looking at the whole tree. To go back to looking at the whole tree give the C command again and enter "0" for the node number when asked. Most users will not want to use this option unless forced to.

H
("Help"). Prints a one-screen summary of what the commands do, a few words for each command.

?
("huh?"). A synonym for H. Same as Help command.

X
("Exit"). Exit from program. If the current tree has not yet been saved into a file, the program will ask you whether it should be saved.

Q
("Quit"). A synonym for X. Same as the eXit command.

OUTPUT

If the A option is used, then the program will infer, for any character whose ancestral state is unknown ("?") whether the ancestral state 0 or 1 will give the fewest changes (according to the criterion in use). If these are tied, then it may not be possible for the program to infer the state in the internal nodes, and many of these will be shown as "?". If the A option is not used, then the program will assume 0 as the ancestral state.

When reconstructing the placement of forward changes and reversions under the Dollo method, keep in mind that each polymorphic state in the input data will require one "last minute" reversion. This is included in the counts. Thus if we have both states 0 and 1 at a tip of the tree the program will assume that the lineage had state 1 up to the last minute, and then state 0 arose in that population by reversion, without loss of state 1.

When DOLMOVE calculates the number of characters compatible with the tree, it will take the F option into account and count the multistate characters as units, counting a character as compatible with the tree only when all of the binary characters corresponding to it are compatible with the tree.

ADAPTING THE PROGRAM TO YOUR COMPUTER AND TO YOUR TERMINAL

As we have seen, the initial menu of the program allows you to choose among three screen types (PC, ANSI, and none). If you want to avoid having to make this choice every time, you can change some of the constants in the file phylip.h to have the terminal type initialize itself in the proper way, and recompile. The constants that need attention are ANSICRT and IBMCRT. Currently these are both set to "false" on Macintosh and on Unix/Linux systems, and IBMCRT is set to "true" on Windows systems. If your system has an ANSI compatible terminal, you might want to find the definition of ANSICRT in phylip.h and set it to "true", and IBMCRT to "false".

MORE ABOUT THE PARSIMONY CRITERION

DOLMOVE uses as its numerical criterion the Dollo and polymorphism parsimony methods. The program defaults to carrying out Dollo parsimony.

The Dollo parsimony method was first suggested in print in verbal form by Le Quesne (1974) and was first well-specified by Farris (1977). The method is named after Louis Dollo since he was one of the first to assert that in evolution it is harder to gain a complex feature than to lose it. The algorithm explains the presence of the state 1 by allowing up to one forward change 0-->1 and as many reversions 1-->0 as are necessary to explain the pattern of states seen. The program attempts to minimize the number of 1-->0 reversions necessary.

The assumptions of this method are in effect:

  1. We know which state is the ancestral one (state 0).
  2. The characters are evolving independently.
  3. Different lineages evolve independently.
  4. The probability of a forward change (0-->1) is small over the evolutionary times involved.
  5. The probability of a reversion (1-->0) is also small, but still far larger than the probability of a forward change, so that many reversions are easier to envisage than even one extra forward change.
  6. Retention of polymorphism for both states (0 and 1) is highly improbable.
  7. The lengths of the segments of the true tree are not so unequal that two changes in a long segment are as probable as one in a short segment.

One problem can arise when using additive binary recoding to represent a multistate character as a series of two-state characters. Unlike the Camin-Sokal, Wagner, and Polymorphism methods, the Dollo method can reconstruct ancestral states which do not exist. An example is given in my 1979 paper. It will be necessary to check the output to make sure that this has not occurred.

The polymorphism parsimony method was first used by me, and the results published (without a clear specification of the method) by Inger (1967). The method was published by Farris (1978a) and by me (1979). The method assumes that we can explain the pattern of states by no more than one origination (0-->1) of state 1, followed by retention of polymorphism along as many segments of the tree as are necessary, followed by loss of state 0 or of state 1 where necessary. The program tries to minimize the total number of polymorphic characters, where each polymorphism is counted once for each segment of the tree in which it is retained.

The assumptions of the polymorphism parsimony method are in effect:

  1. The ancestral state (state 0) is known in each character.
  2. The characters are evolving independently of each other.
  3. Different lineages are evolving independently.
  4. Forward change (0-->1) is highly improbable over the length of time involved in the evolution of the group.
  5. Retention of polymorphism is also improbable, but far more probable that forward change, so that we can more easily envisage much polymorhism than even one additional forward change.
  6. Once state 1 is reached, reoccurrence of state 0 is very improbable, much less probable than multiple retentions of polymorphism.
  7. The lengths of segments in the true tree are not so unequal that we can more easily envisage retention events occurring in both of two long segments than one retention in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

Below is a test data set, but we cannot show the output it generates because of the interactive nature of the program.


TEST DATA SET

     5    6
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110
./arbsrc_9167/GDE/PHYLIP/doc/dolpenny.html0000644012664100000130000006363311213220011020020 0ustar arb_buildcoders dolpenny

version 3.6

DOLPENNY - Branch and bound
to find all most parsimonious trees
for Dollo, polymorphism parsimony criteria

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DOLPENNY is a program that will find all of the most parsimonious trees implied by your data when the Dollo or polymorphism parsimony criteria are employed. It does so not by examining all possible trees, but by using the more sophisticated "branch and bound" algorithm, a standard computer science search strategy first applied to phylogenetic inference by Hendy and Penny (1982). (J. S. Farris [personal communication, 1975] had also suggested that this strategy, which is well-known in computer science, might be applied to phylogenies, but he did not publish this suggestion).

There is, however, a price to be paid for the certainty that one has found all members of the set of most parsimonious trees. The problem of finding these has been shown (Graham and Foulds, 1982; Day, 1983) to be NP-complete, which is equivalent to saying that there is no fast algorithm that is guaranteed to solve the problem in all cases (for a discussion of NP-completeness, see the Scientific American article by Lewis and Papadimitriou, 1978). The result is that this program, despite its algorithmic sophistication, is VERY SLOW.

The program should be slower than the other tree-building programs in the package, but useable up to about ten species. Above this it will bog down rapidly, but exactly when depends on the data and on how much computer time you have (it may be more effective in the hands of someone who can let a microcomputer grind all night than for someone who has the "benefit" of paying for time on the campus mainframe computer). IT IS VERY IMPORTANT FOR YOU TO GET A FEEL FOR HOW LONG THE PROGRAM WILL TAKE ON YOUR DATA. This can be done by running it on subsets of the species, increasing the number of species in the run until you either are able to treat the full data set or know that the program will take unacceptably long on it. (Making a plot of the logarithm of run time against species number may help to project run times).

The Algorithm

The search strategy used by DOLPENNY starts by making a tree consisting of the first two species (the first three if the tree is to be unrooted). Then it tries to add the next species in all possible places (there are three of these). For each of the resulting trees it evaluates the number of losses. It adds the next species to each of these, again in all possible spaces. If this process would continue it would simply generate all possible trees, of which there are a very large number even when the number of species is moderate (34,459,425 with 10 species). Actually it does not do this, because the trees are generated in a particular order and some of them are never generated.

Actually the order in which trees are generated is not quite as implied above, but is a "depth-first search". This means that first one adds the third species in the first possible place, then the fourth species in its first possible place, then the fifth and so on until the first possible tree has been produced. Its number of steps is evaluated. Then one "backtracks" by trying the alternative placements of the last species. When these are exhausted one tries the next placement of the next-to-last species. The order of placement in a depth-first search is like this for a four-species case (parentheses enclose monophyletic groups):

     Make tree of first two species     (A,B)
          Add C in first place     ((A,B),C)
               Add D in first place     (((A,D),B),C)
               Add D in second place     ((A,(B,D)),C)
               Add D in third place     (((A,B),D),C)
               Add D in fourth place     ((A,B),(C,D))
               Add D in fifth place     (((A,B),C),D)
          Add C in second place: ((A,C),B)
               Add D in first place     (((A,D),C),B)
               Add D in second place     ((A,(C,D)),B)
               Add D in third place     (((A,C),D),B)
               Add D in fourth place     ((A,C),(B,D))
               Add D in fifth place     (((A,C),B),D)
          Add C in third place     (A,(B,C))
               Add D in first place     ((A,D),(B,C))
               Add D in second place     (A,((B,D),C))
               Add D in third place     (A,(B,(C,D)))
               Add D in fourth place     (A,((B,C),D))
               Add D in fifth place     ((A,(B,C)),D)

Among these fifteen trees you will find all of the four-species rooted bifurcating trees, each exactly once (the parentheses each enclose a monophyletic group). As displayed above, the backtracking depth-first search algorithm is just another way of producing all possible trees one at a time. The branch and bound algorithm consists of this with one change. As each tree is constructed, including the partial trees such as (A,(B,C)), its number of losses (or retentions of polymorphism) is evaluated.

The point of this is that if a previously-found tree such as ((A,B),(C,D)) required fewer losses, then we know that there is no point in even trying to add D to ((A,C),B). We have computed the bound that enables us to cut off a whole line of inquiry (in this case five trees) and avoid going down that particular branch any farther.

The branch-and-bound algorithm thus allows us to find all most parsimonious trees without generating all possible trees. How much of a saving this is depends strongly on the data. For very clean (nearly "Hennigian") data, it saves much time, but on very messy data it will still take a very long time.

The algorithm in the program differs from the one outlined here in some essential details: it investigates possibilities in the order of their apparent promise. This applies to the order of addition of species, and to the places where they are added to the tree. After the first two-species tree is constructed, the program tries adding each of the remaining species in turn, each in the best possible place it can find. Whichever of those species adds (at a minimum) the most additional steps is taken to be the one to be added next to the tree. When it is added, it is added in turn to places which cause the fewest additional steps to be added. This sounds a bit complex, but it is done with the intention of eliminating regions of the search of all possible trees as soon as possible, and lowering the bound on tree length as quickly as possible.

The program keeps a list of all the most parsimonious trees found so far. Whenever it finds one that has fewer losses than these, it clears out the list and restarts the list with that tree. In the process the bound tightens and fewer possibilities need be investigated. At the end the list contains all the shortest trees. These are then printed out. It should be mentioned that the program CLIQUE for finding all largest cliques also works by branch-and-bound. Both problems are NP-complete but for some reason CLIQUE runs far faster. Although their worst-case behavior is bad for both programs, those worst cases occur far more frequently in parsimony problems than in compatibility problems.

Controlling Run Times

Among the quantities available to be set at the beginning of a run of DOLPENNY, two (howoften and howmany) are of particular importance. As DOLPENNY goes along it will keep count of how many trees it has examined. Suppose that howoften is 100 and howmany is 300, the default settings. Every time 100 trees have been examined, DOLPENNY will print out a line saying how many multiples of 100 trees have now been examined, how many steps the most parsimonious tree found so far has, how many trees of with that number of steps have been found, and a very rough estimate of what fraction of all trees have been looked at so far.

When the number of these multiples printed out reaches the number howmany (say 1000), the whole algorithm aborts and prints out that it has not found all most parsimonious trees, but prints out what is has got so far anyway. These trees need not be any of the most parsimonious trees: they are simply the most parsimonious ones found so far. By setting the product (howoften X howmany) large you can make the algorithm less likely to abort, but then you risk getting bogged down in a gigantic computation. You should adjust these constants so that the program cannot go beyond examining the number of trees you are reasonably willing to pay for (or wait for). In their initial setting the program will abort after looking at 100,000 trees. Obviously you may want to adjust howoften in order to get more or fewer lines of intermediate notice of how many trees have been looked at so far. Of course, in small cases you may never even reach the first multiple of howoften and nothing will be printed out except some headings and then the final trees.

The indication of the approximate percentage of trees searched so far will be helpful in judging how much farther you would have to go to get the full search. Actually, since that fraction is the fraction of the set of all possible trees searched or ruled out so far, and since the search becomes progressively more efficient, the approximate fraction printed out will usually be an underestimate of how far along the program is, sometimes a serious underestimate.

A constant that affects the result is "maxtrees", which controls the maximum number of trees that can be stored. Thus if "maxtrees" is 25, and 32 most parsimonious trees are found, only the first 25 of these are stored and printed out. If "maxtrees" is increased, the program does not run any slower but requires a little more intermediate storage space. I recommend that "maxtrees" be kept as large as you can, provided you are willing to look at an output with that many trees on it! Initially, "maxtrees" is set to 100 in the distribution copy.

Methods and Options

The counting of the length of trees is done by an algorithm nearly identical to the corresponding algorithms in DOLLOP, and thus the remainder of this document will be nearly identical to the DOLLOP document. The Dollo parsimony method was first suggested in print in verbal form by Le Quesne (1974) and was first well-specified by Farris (1977). The method is named after Louis Dollo since he was one of the first to assert that in evolution it is harder to gain a complex feature than to lose it. The algorithm explains the presence of the state 1 by allowing up to one forward change 0-->1 and as many reversions 1-->0 as are necessary to explain the pattern of states seen. The program attempts to minimize the number of 1-->0 reversions necessary.

The assumptions of this method are in effect:

  1. We know which state is the ancestral one (state 0).
  2. The characters are evolving independently.
  3. Different lineages evolve independently.
  4. The probability of a forward change (0-->1) is small over the evolutionary times involved.
  5. The probability of a reversion (1-->0) is also small, but still far larger than the probability of a forward change, so that many reversions are easier to envisage than even one extra forward change.
  6. Retention of polymorphism for both states (0 and 1) is highly improbable.
  7. The lengths of the segments of the true tree are not so unequal that two changes in a long segment are as probable as one in a short segment.

That these are the assumptions is established in several of my papers (1973a, 1978b, 1979, 1981b, 1983). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

One problem can arise when using additive binary recoding to represent a multistate character as a series of two-state characters. Unlike the Camin-Sokal, Wagner, and Polymorphism methods, the Dollo method can reconstruct ancestral states which do not exist. An example is given in my 1979 paper. It will be necessary to check the output to make sure that this has not occurred.

The polymorphism parsimony method was first used by me, and the results published (without a clear specification of the method) by Inger (1967). The method was published by Farris (1978a) and by me (1979). The method assumes that we can explain the pattern of states by no more than one origination (0-->1) of state 1, followed by retention of polymorphism along as many segments of the tree as are necessary, followed by loss of state 0 or of state 1 where necessary. The program tries to minimize the total number of polymorphic characters, where each polymorphism is counted once for each segment of the tree in which it is retained.

The assumptions of the polymorphism parsimony method are in effect:

  1. The ancestral state (state 0) is known in each character.
  2. The characters are evolving independently of each other.
  3. Different lineages are evolving independently.
  4. Forward change (0-->1) is highly improbable over the length of time involved in the evolution of the group.
  5. Retention of polymorphism is also improbable, but far more probable that forward change, so that we can more easily envisage much polymorhism than even one additional forward change.
  6. Once state 1 is reached, reoccurrence of state 0 is very improbable, much less probable than multiple retentions of polymorphism.
  7. The lengths of segments in the true tree are not so unequal that we can more easily envisage retention events occurring in both of two long segments than one retention in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

The input format is the standard one, with "?", "P", "B" states allowed. Most of the options are selected using a menu:


Penny algorithm for Dollo or polymorphism parsimony, version 3.6a3
 branch-and-bound to find all most parsimonious trees

Settings for this run:
  P                     Parsimony method?  Dollo
  H        How many groups of  100 trees:  1000
  F        How often to report, in trees:  100
  S           Branch and bound is simple?  Yes
  T              Use Threshold parsimony?  No, use ordinary parsimony
  A                 Use ancestral states?  No
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4     Print out steps in each character  No
  5     Print states at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The P option toggles between the Polymorphism parsimony method and the default Dollo parsimony method.

The options T, A, and M are the usual Threshold, Ancestral States, and Multiple Data Sets options. They are described in the Main documentation file and in the Discrete Characters Programs documentation file.

Options F and H reset the variables howoften (F) and howmany (H). The user is prompted for the new values. By setting these larger the program will report its progress less often (howoften) and will run longer (howmany times howoften). These values default to 100 and 1000 which guarantees a search of 100,000 trees, but these can be changed. Note that option F in this program is not the Factors option available in some of the other programs in this section of the package.

The use of the A option allows implementation of the unordered Dollo parsimony and unordered polymorphism parsimony methods which I have described elsewhere (1984b). When the A option is used the ancestor is not to be counted as one of the species. The O (outgroup) option is not available since the tree produced is already rooted.

Setting T at or below 1.0 but above 0 causes the criterion to become compatibility rather than polymorphism parsimony, although there is no advantage to using this program instead of PENNY to do a compatibility method. Setting the threshold value higher brings about an intermediate between the Dollo or polymorphism parsimony methods and the compatibility method, so that there is some rationale for doing that.

Using a threshold value of 1.0 or lower, but above 0, one can obtain a rooted (or, if the A option is used with ancestral states of "?", unrooted) compatibility criterion, but there is no particular advantage to using this program for that instead of MIX. Higher threshold values are of course meaningful and provide intermediates between Dollo and compatibility methods.

The S (Simple) option alters a step in DOLPENNY which reconsiders the order in which species are added to the tree. Normally the decision as to what species to add to the tree next is made as the first tree is being constructucted; that ordering of species is not altered subsequently. The R option causes it to be continually reconsidered. This will probably result in a substantial increase in run time, but on some data sets of intermediate messiness it may help. It is included in case it might prove of use on some data sets.

The Factors option is not available in this program, as it would have no effect on the result even if that information were provided in the input file.

The output format is also standard. It includes a rooted tree and, if the user selects option 4, a table of the numbers of reversions or retentions of polymorphism necessary in each character. If any of the ancestral states has been specified to be unknown, a table of reconstructed ancestral states is also provided. When reconstructing the placement of forward changes and reversions under the Dollo method, keep in mind that each polymorphic state in the input data will require one "last minute" reversion. This is included in the tabulated counts. Thus if we have both states 0 and 1 at a tip of the tree the program will assume that the lineage had state 1 up to the last minute, and then state 0 arose in that population by reversion, without loss of state 1.

A table is available to be printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand.

If the A option is used, then the program will infer, for any character whose ancestral state is unknown ("?") whether the ancestral state 0 or 1 will give the best tree. If these are tied, then it may not be possible for the program to infer the state in the internal nodes, and these will all be printed as ".". If this has happened and you want to know more about the states at the internal nodes, you will find helpful to use DOLMOVE to display the tree and examine its interior states, as the algorithm in DOLMOVE shows all that can be known in this case about the interior states, including where there is and is not amibiguity. The algorithm in DOLPENNY gives up more easily on displaying these states.

At the beginning of the program are a series of constants, which can be changed to help adapt the program to different computer systems. Two are the initial values of howmany and howoften, constants "often" and "many". Constant "maxtrees" is the maximum number of tied trees that will be stored.


TEST DATA SET

    7    6
Alpha1    110110
Alpha2    110110
Beta1     110000
Beta2     110000
Gamma1    100110
Delta     001001
Epsilon   001110


TEST SET OUTPUT (with all numerical options turned on)


Penny algorithm for Dollo or polymorphism parsimony, version 3.6a3
 branch-and-bound to find all most parsimonious trees

 7 species,   6 characters
Dollo parsimony method


Name         Characters
----         ----------

Alpha1       11011 0
Alpha2       11011 0
Beta1        11000 0
Beta2        11000 0
Gamma1       10011 0
Delta        00100 1
Epsilon      00111 0



requires a total of              3.000

    3 trees in all found




  +-----------------Delta     
  !  
--2  +--------------Epsilon   
  !  !  
  +--3  +-----------Gamma1    
     !  !  
     +--6  +--------Alpha2    
        !  !  
        +--1     +--Beta2     
           !  +--5  
           +--4  +--Beta1     
              !  
              +-----Alpha1    


 reversions in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       0   0   1   1   1   0            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

root      2         yes    ..1.. .
  2    Delta        yes    ..... 1
  2       3         yes    ...11 .
  3    Epsilon      no     ..... .
  3       6         yes    1.0.. .
  6    Gamma1       no     ..... .
  6       1         yes    .1... .
  1    Alpha2       no     ..... .
  1       4         no     ..... .
  4       5         yes    ...00 .
  5    Beta2        no     ..... .
  5    Beta1        no     ..... .
  4    Alpha1       no     ..... .





  +-----------------Delta     
  !  
--2  +--------------Epsilon   
  !  !  
  +--3  +-----------Gamma1    
     !  !  
     +--6        +--Beta2     
        !  +-----5  
        !  !     +--Beta1     
        +--4  
           !     +--Alpha2    
           +-----1  
                 +--Alpha1    


 reversions in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       0   0   1   1   1   0            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

root      2         yes    ..1.. .
  2    Delta        yes    ..... 1
  2       3         yes    ...11 .
  3    Epsilon      no     ..... .
  3       6         yes    1.0.. .
  6    Gamma1       no     ..... .
  6       4         yes    .1... .
  4       5         yes    ...00 .
  5    Beta2        no     ..... .
  5    Beta1        no     ..... .
  4       1         no     ..... .
  1    Alpha2       no     ..... .
  1    Alpha1       no     ..... .





  +-----------------Delta     
  !  
--2  +--------------Epsilon   
  !  !  
  +--3  +-----------Gamma1    
     !  !  
     !  !        +--Beta2     
     +--6     +--5  
        !  +--4  +--Beta1     
        !  !  !  
        +--1  +-----Alpha2    
           !  
           +--------Alpha1    


 reversions in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       0   0   1   1   1   0            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

root      2         yes    ..1.. .
  2    Delta        yes    ..... 1
  2       3         yes    ...11 .
  3    Epsilon      no     ..... .
  3       6         yes    1.0.. .
  6    Gamma1       no     ..... .
  6       1         yes    .1... .
  1       4         no     ..... .
  4       5         yes    ...00 .
  5    Beta2        no     ..... .
  5    Beta1        no     ..... .
  4    Alpha2       no     ..... .
  1    Alpha1       no     ..... .


./arbsrc_9167/GDE/PHYLIP/doc/drawgram.html0000644012664100000130000004142711213220011017771 0ustar arb_buildcoders drawgram

version 3.6

DRAWGRAM

© Copyright 1990-2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DRAWGRAM interactively plots a cladogram- or phenogram-like rooted tree diagram, with many options including orientation of tree and branches, style of tree, label sizes and angles, tree depth, margin sizes, stem lengths, and placement of nodes in the tree. Particularly if you can use your computer to preview the plot, you can very effectively adjust the details of the plotting to get just the kind of plot you want.

To understand the working of DRAWGRAM and DRAWTREE, you should first read the Tree Drawing Programs web page in this documentation.

As with DRAWTREE, to run DRAWGRAM you need a compiled copy of the program, a font file, and a tree file. The tree file has a default name of intree. The font file has a default name of "fontfile". If there is no file of that name, the program will ask you for the name of a font file (we provide ones that have the names font1 through font6). Once you decide on a favorite one of these, you could make a copy of it and call it fontfile, and it will then be used by default. Note that the program will get confused if the input tree file has the number of trees on the first line of the file, so that numbr may have to be removed.

Once these choices have been made you will see the central menu of the program, which looks like this:


Rooted tree plotting program version 3.6a3

Here are the settings: 
 0  Screen type (IBM PC, ANSI):  (none)
 P       Final plotting device:  Postscript printer
 V           Previewing device:  X Windows display
 H                  Tree grows:  Horizontally
 S                  Tree style:  Phenogram
 B          Use branch lengths:  Yes
 L             Angle of labels:  90.0
 R      Scale of branch length:  Automatically rescaled
 D       Depth/Breadth of tree:  0.53
 T      Stem-length/tree-depth:  0.05
 C    Character ht / tip space:  0.3333
 A             Ancestral nodes:  Weighted
 F                        Font:  Times-Roman
 M          Horizontal margins:  1.65 cm
 M            Vertical margins:  2.16 cm
 #              Pages per tree:  one page per tree

 Y to accept these or type the letter for one to change

These are the settings that control the appearance of the tree, which has already been read in. You can either accept these as is, in which case you would answer Y to the question and press the Return or Enter key, or you can answer N if you want to change one, or simply type the character corresponding to the one you want to change (if you answer N it will just immediately ask you for that number anyway).

For a first run, particularly if previewing is available, you might accept these default values and see what the result looks like. The program will then tell you it is about to preview the tree and ask you to press Return or Enter when you are ready to see this (you will probably have to press it twice). If you are on a Windows system (and have its graphics selected as your previewing option), on a Unix or Linux system and are using X windows for previewing, or are on a Macintosh system, a new window will open with the preview in it. If you are using the Tektronix preview option the preview will appear in the window where the menu was.

On X Windows, Macintosh, and Windows you can resize the preview window, though for some of these you may have to ask the system to redraw the preview to see it at the new window size.

Once you are finished looking at the preview, you will want to specify whether the program should make the final plot or change some of the settings. This is done differently on the different previews:

  • In X Windows you should make the menu window the active window. You may need to move the mouse over it, or click in it, or click on its top bar. You do not need to try to close the preview window yourself, and usually if you do this will cause trouble.
  • In Windows use the File menu in the preview window and choose either the Change Parameters menu item, or if you are ready to make the final plot, choose the Plot menu item.
  • On a Macintosh system, you can simply use the little box in the corner of the preview window to close it. The text window for the menu will then be active.
  • In PC graphics press on the Enter key. The screen with the preview should disappear and the settings menu reappear.
  • With a Tektronix preview, you may need to change your screen from a Tektronix-compatible mode to see the menu again.

Except with the Macintosh preview, the program will now ask you if the tree is now ready to be plotted. If you answer Y (for Yes) (or choose this option in the File menu of the preview window in the case of Windows) the program will usually write a plot file (with some plot options it will draw the tree on the screen). Then it will terminate.

But if you do not say that you are ready to plot the tree, it will go back to the above menu, allow you to change more options, and go through the whole process again. The easiest way to learn the meaning of the options is to try them, particularly if previewing is available. Below I will describe them one by one; you may prefer to skip reading this unless you are puzzled about one of them.

THE OPTIONS

O
This is an option that allows you to change the menu window to be an ANSI terminal or an IBM PC terminal. Generally you will not want to change this.

P
This allows you to choose the Plotting device or file format. We have discussed the possible choices in the draw programs documentation web page.

V
This allows you to change the type of preView window (or even turn off previewing. We have discussed the different possible choices in the draw programs documentation web page.

H
Whether the tree grows Horizontally or vertically. The horizontal growth will be from left to right. This option is self explanatory. The other options are designed so that when we switch this direction of growth the tree still looks the same, except for orientation and overall size. This option is toggled, that is, when it is chosen the orientation changes, going back and forth between Vertical and Horizontal. The default orientation is Horizontal.

S
The Style of the tree. There are six styles possible: Cladogram, Phenogram, Curvogram, Eurogram, Swoopogram, and Circular Tree. These are chosen by the letters C, P, V, E, S and O. These take a little explaining.

In spite of the words "cladogram" and "phenogram", there is no implication of the extent to which you consider these diagrams as being genealogies or phenetic clustering diagrams. The names refer to pictorial style, not your own intended final use for the diagram. The six styles can be described as follows (assuming a vertically growing tree):

Cladogram
nodes are connected to other nodes and to tips by straight lines going directly from one to the other. This gives a V-shaped appearance. The default settings if there are no branch lengths are designed to yield a V-shaped tree with a 90-degree angle at the base.

Phenogram
nodes are connected to other nodes and to other tips by a horizontal and then a vertical line. This gives a particularly precise idea of horizontal levels.

Curvogram
nodes are connected to other nodes and to tips by a curve which is one fourth of an ellipse, starting out horizontally and then curving upwards to become vertical. This pattern was suggested by Joan Rudd.

Eurogram
so-called because it is a version of cladogram diagram popular in Europe. Nodes are connected to other nodes and to tips by a diagonal line that goes outwards and goes at most one-third of the way up to the next node, then turns sharply straight upwards and is vertical. Unfortunately it is nearly impossible to guarantee, when branch lengths are used, that the angles of divergence of lines are the same.

Swoopogram
this option connects two nodes or a node and a tip using two curves that are actually each one-quarter of an ellipse. The first part starts out vertical and then bends over to become horizontal. The second part, which is at least two-thirds of the total, starts out horizontal and then bends up to become vertical. The effect is that two lineages split apart gradually, then more rapidly, then both turn upwards.

Circular Tree
This is a style introduced by David Swofford in PAUP*. The tree grows outward from a central point, being essentially a Phenogram style tree in polar coordinates. The tips form a 360-degree circle. The "vertical" lines run outward radially from the center, and the "horizontal" lines are arcs of circles centered on it.

You should experiment with these and decide which you want -- it depends very much on the effect you want.

B
Whether the tree has Branch lengths that are being used in the diagram. If the tree that was read in had a full set of branch lengths, it will be assumed as a default that you want to use them in the diagram, but you can specify that they are not to be used. If the tree does not have a full set of branch lengths then this will be indicated, and if you try to use branch lengths the program will refuse to allow you to do so. Note that when you change option B, the node position option A may change as well.

L
The angle of the Labels. The angle is always calculated relative to a vertical tree; whether the tree is horizontal or vertical, if the labels are at an angle of 90 degrees they run parallel to direction of tree growth. The default value is 90 degrees. The option allows you to choose any angle from 0 to 90 degrees.

R
How the branch lengths will be translated into distances on the output device. Note that when branch lengths have not been provided, there are implicit branch lengths specified by the type of tree being drawn. This option will toggle back and forth between automatic adjustment of branch lengths so that the diagram will just fit into the margins, and you specifying how many centimeters there will be per unit branch length. This is included so that you can plot different trees to a common scale, showing which ones have longer or shorter branches than others. Note that if you choose too large a value for centimeters per unit branch length, the tree will be so big it will overrun the plotting area and may cause failure of the diagram to display properly. Too small a value will cause the tree to be a nearly invisible dot.

D
The ratio between the Depth and the breadth of the tree. It is initially set near 0.5, to approximate a V-shaped tree, but you may want to try a larger value to get a longer and narrower tree. Depth and breadth are described as if the tree grew vertically, so that depth is always measured from the root to the tips (not including the length of the labels).

T
The length of the sTem of the tree as a fraction of the depth of the tree. You may want to either lengthen the stem or remove it entirely by giving a value of zero.

C
The Character height, measured as a fraction of the tip spacing. If the labels are rotated to a shallow angle, the character height will be automatically adjusted in hopes of avoiding collision of labels at different tips. This option allows you to change the size of the labels yourself. On output devices where line thicknesses can be varied, the thickness of the tree lines will automatically be adjusted to be proportional to the character height, which is an additional reason you may want to change character height.

A
Controls the positions of the Ancestral (interior) nodes. This can greatly affect the appearance of the tree. The vertical positions (these descriptions assume a a tree growing vertically) are not under your control except insofar as you specify the use or non-use of branch lengths. If you choose to change this option you will see the menu:

Should interior node positions:
 be Intermediate between their immediate descendants,
    Weighted average of tip positions
    Centered among their ultimate descendants
    iNnermost of immediate descendants
 or so that tree is V-shaped
 (type I, W, C, N or V):

The five methods (Intermediate, Weighted, Centered, Innermost, and V-shaped) are different horizontal positionings of the interior nodes. It will be helpful to you to try these out and see which you like best. Intermediate places the node halfway between its immediate descendants (horizontally), Weighted places it closer to that descendant who is closer vertically as well, and Centered centers the node below the horizontal positions of the tips that are descended from that node. You may want to choose that option that prevents lines from crossing each other.

V-shaped is another option, one designed, if there are no branch lengths being used, to yield a v-shaped tree of regular appearance. With branch lengths it will not necessarily do so. "Innermost" is the most unusual option: it chooses a center for the tree, and always places interior nodes below the innermost of their immediate descendants. This leads to a tree that has vertical lines in the center, like a tree with a trunk.

If the tree you are plotting has a full set of lengths, then when it is read in the node position option is automatically set to "intermediate", which is the setting with the least likelihood of lines in the tree crossing. If it does not have lengths the option is set to "V-shaped". If you change option B which tells the program whether to try to use the branch lengths, then the node position option will automatically be reset to the appropriate one of these defaults. This may be confusing if you do not realise that it is happening.

F
Allows you to select the name of the Font that you will use for the species names. This is allowed for some of the plotter drivers (this menu item does not appear for the others). You can select the name of any font that is available for your plotter, for example "Courier-Bold" or "Helvetica". The label will then be printed using that font rather than being drawn line-by-line as it is in the default Hershey font. In the preview of the tree, the Hershey font is always used (which means that it may look different from the final font). The size of the characters in the species names is scaled according to the label heights you have selected in the menu, whether plotter fonts or the Hershey font are used. Note that for some plotter drivers (particular Xfig and PICT) fonts can be used only if the species labels are horizontal or vertical (at angles of 0 degrees or 90 degrees).

M
The horizontal and vertical Margins in centimeters. You can enter new margins (you must enter new values for both horizontal and vertical margins, though these need not be different from the old values). For the moment I do not allow you to specify left and right margins separately, or top and bottom margins separately. In a future release I hope to do so.

#
The number of pages per tree. Defaults to one, but if you need a physically large tree you may want to choose a larger number. For example, to make a big tree for a poster, choose a larger number of pages horizontally and vertically (the program will ask you for these numbers), get out your scissors and paste or tape, and go to work.

I recommend that you try all of these options (particularly if you can preview the trees). It is of particular use to try combinations of the style of tree (option S) with the different methods of placing interior nodes (option A). You will find that a wide variety of effects can be achieved.

I would appreciate suggestions for improvements in DRAWGRAM, but please be aware that the source code is already very large and I may not be able to implement all suggestions. ./arbsrc_9167/GDE/PHYLIP/doc/draw.html0000644012664100000130000012321111213220011017112 0ustar arb_buildcoders main

version 3.6

DRAWTREE and DRAWGRAM

© Copyright 1986-2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DRAWTREE and DRAWGRAM are interactive tree-plotting programs that take a tree description in a file and read it, and then let you interactively make various settings and then plot the tree on a laser printer, plotter, or dot matrix printer. In many cases (with Macintosh or PC graphics, with X windows, or with a Tektronix-compatible graphics terminal) you can preview the resulting tree. This allows you to modify the tree until you like the result, then plot the result. DRAWTREE plots unrooted trees and DRAWGRAM plots rooted cladograms and phenograms. On good laser printers or as files for good drawing programs both can produce fully publishable results. On dot matrix printers the results look grainy but are good enough for overhead transparencies or slides for presentations.

These programs are descended from PLOTGRAM and PLOTREE written by Christopher Meacham. I have incorporated his code for fonts and his plotter drivers, and in DRAWTREE have used some of his code for drawing unrooted trees. In both programs I have also included some plotter driver code by David Swofford, Julian Humphries and George D.F. "Buz" Wilson, to all of whom I am very grateful. Mostly, however, they consist of my own code and that of my programmers. The font files are printable-character recodings of the public-domain Hershey fonts, recoded by Christopher Meacham.

This document will describe the features common to both programs. The documents for DRAWTREE and DRAWGRAM describe the particular choices you can make in each of those programs. The Appendix to this documentation file contains some pieces of C code that can be inserted to make the program handle another plotting device -- the plotters by Calcomp.

A Short Introduction

To use DRAWTREE and DRAWGRAM, you must have

(1)
The compiled version of the program. If you have not obtained a version of PHYLIP precompiled for your machine, you will have to take the source code given here and modify it for your C compiler and then compile it. This is not too hard: it is discussed below.

(2)
A tree file. Trees are described in the nested-parenthesis notation used throughout PHYLIP and standardized in an informal meeting of program authors in Durham, New Hampshire in June, 1986. Trees for both programs may be either bifurcating or multifurcating, and may either have or not have branch lengths. Tree files produced by the PHYLIP programs are in this form. There is further description of the tree file format later in this document.

(3)
A font file. There are six font files distributed with PHYLIP: these consist of three Roman, two Italic, and one Russian Cyrillic font, all from the public-domain Hershey Fonts, in ASCII readable form. The details of font representation need not concern you; all you need to do is to copy the font file corresponding to the font you want into the appropriate directory under the appropriate file name, and let the program use it. Or you can let the program ask you for the name of the font file, which it will do if it does not find one itself. The six fonts are, respectively, a one- and a two-stroke sans-serif Roman font, a three-stroke serifed Roman font, a two- and a three- stroke serifed Italic font, and a two-stroke Cyrillic font for the Russian language. If this is not clear just try them all. Note that for some printers several built-in fonts such as Times-Roman and Courier can be used too.

(4)
A plotting device, and if possible a screen on which you can preview the plot. The programs work with Postscript-compatible laser printers, laser printers compatible with the PCL printer language of the Hewlett-Packard Laserjet series, IBM PC graphics screens, the PICT format for the MacDraw drawing program, the PCX file format for the PC Paintbrush painting program, the file format for the freeware X-windows drawing programs xfig and idraw, the X Bitmap format for X-windows, plotters including Hewlett-Packard models, dot matrix printers including models by Epson and Apple, graphics terminals from DEC and Tektronix, the input format for the freeware ray-tracing (3-dimensional rendering) programs POV and rayshade, and, strangest and most wonderful of all, the Virtual Reality Markup Language (VRML) which is a file format that is used by freely-available virtual reality programs like Cosmo Player. You can choose the plotting and previewing devices from a menu at run time, and these can be different. There are places in the source code for the program where you can insert code for a new plotter, should you want to do that.

Once you have all these, the programs should be fairly self explanatory, particular if you can preview your plots so that you can discover the meaning of the different options by trying them out.

Once you have a compiled version of the appropriate program, say DRAWGRAM, and a file called (say) treefile with the tree in it, and a font file (say font2 which you have copied as a file called fontfile), all you do is run the program DRAWGRAM. It should automatically read the font and tree files, and will allow you to change the graphics devices. Then it will let you see the options it has chosen, and ask you if you want to change these. Once you have modified those that you want to, you can tell it to accept those. The program will then allow you to preview the tree on your screen, if you have told it that you have an appropriate graphics screen. After previewing the tree, the program will want to know whether you are ready to plot the tree. In Windows you answer this using the File menu of the preview window. In X Windows and Macintosh systems you can close the preview window by clicking on its corner. Whether or not you close it, if you get back to the text window that had the menus, and it accepts typing in that window, you will be asked whether you want to accept the plot as is. If you say no, it will once again allow you to change options and will the allow you to preview the tree again, and so on as many times as you want. If you say yes, then it will write a file called (say) plotfile. If you then copy this file to your printer or plotter, it should result in a beautifully plotted tree. If the final plotting device is a Macintosh or PC graphics screen, it may not write a plot file but will plot directly on the screen.

Having read the above, you may be ready to run the program. Below you Will find more information about representation of trees in the tree file, on the different kinds of graphics devices supported by this program, and on how to recompile these programs.

Trees

The Newick Standard for representing trees in computer-readable form makes use of the correspondence between trees and nested parentheses, noticed in 1857 by the famous English mathematician Arthur Cayley. If we have this rooted tree:

                         A                 D
                          \         E     /
                           \   C   /     /
                            \  !  /     /
                             \ ! /     /
                        B     \!/     /
                         \     o     /
                          \    !    /
                           \   !   /
                            \  !  /
                             \ ! /
                              \!/
                               o
                               !
                               !

then in the tree file it is represented by the following sequence of printable characters, starting at the beginning of the file:

(B,(A,C,E),D);

The tree ends with a semicolon. Everything after the semicolon in the input file is ignored, including any other trees. The bottommost node in the tree is an interior node, not a tip. Interior nodes are represented by a pair of matched parentheses. Between them are representations of the nodes that are immediately descended from that node, separated by commas. In the above tree, the immediate descendants are B, another interior node, and D. The other interior node is represented by a pair of parentheses, enclosing representations of its immediate descendants, A, C, and E.

Tips are represented by their names. A name can be any string of printable characters except blanks, colons, semcolons, parentheses, and square brackets. In the programs a maximum of 20 characters are allowed for names: this limit can easily be increased by recompiling the program and changing the constant declaration for "MAXNCH" in phylip.h.

Because you may want to include a blank in a name, it is assumed that an underscore character ("_") stands for a blank; any of these in a name will be converted to a blank when it is read in. Any name may also be empty: a tree like

(,(,,),);

is allowed. Trees can be multifurcating at any level (while in many of the programs multifurcations of user-defined trees are not allowed or restricted to a trifurcation at the bottommost level, these programs do make any such restriction).

Branch lengths can be incorporated into a tree by putting a real number, with or without decimal point, after a node and preceded by a colon. This represents the length of the branch immediately below that node. Thus the above tree might have lengths represented as:

(B:6.0,(A:5.0,C:3.0,E:4.0):5.0,D:11.0);

These programs will be able to make use of this information only if lengths exist for every branch, except the one at the bottom of the tree.

The tree starts on the first line of the file, and can continue to subsequent lines. It is best to proceed to a new line, if at all, immediately after a comma. Blanks can be inserted at any point except in the middle of a species name or a branch length.

The above description is of a subset of the Newick Standard. For example, interior nodes can have names in that standard, but if any are included the present programs will omit them.

To help you understand this tree representation, here are some trees in the above form:

((raccoon:19.19959,bear:6.80041):0.84600,((sea_lion:11.99700,
seal:12.00300):7.52973,((monkey:100.85930,cat:47.14069):20.59201,
weasel:18.87953):2.09460):3.87382,dog:25.46154);

(Bovine:0.69395,(Gibbon:0.36079,(Orang:0.33636,(Gorilla:0.17147,(Chimp:0.19268, Human:0.11927):0.08386):0.06124):0.15057):0.54939,Mouse:1.21460);

(Bovine:0.69395,(Hylobates:0.36079,(Pongo:0.33636,(G._Gorilla:0.17147, (P._paniscus:0.19268,H._sapiens:0.11927):0.08386):0.06124):0.15057):0.54939, Rodent:1.21460);

();

((A,B),(C,D));

(Alpha,Beta,Gamma,Delta,,Epsilon,,,);

The Newick Standard was adopted June 26, 1986 by an informal committee meeting during the Society for the Study of Evolution meetings in Durham, New Hampshire and consisting of James Archie, William H.E. Day, Wayne Maddison, Christopher Meacham, F. James Rohlf, David Swofford, and myself. A web page describing it will be found at http://evolution.gs.washington.edu/phylip/newicktree.html.

Plotter file formats

When the programs run they have a menu which allows you to set (on its option P) the final plotting device, and another menu which allows you to set the type of preview screen. The choices for previewing are a subset of those available for plotting, and they can be different (the most useful combination will usually be a previewing graphics screen with a hard-copy plotter or a drawing program graphics file format).

The plotting device menu looks like this:

   type:       to choose one compatible with:

        L         Postscript printer file format
        M         PICT format (for drawing programs)
        J         HP Laserjet PCL file format
        W         MS-Windows Bitmap
        F         FIG 2.0 drawing program format          
        A         Idraw drawing program format            
        Z         VRML Virtual Reality Markup Language file
        P         PCX file format (for drawing programs)
        K         TeKtronix 4010 graphics terminal
        X         X Bitmap format
        V         POVRAY 3D rendering program file
        R         Rayshade 3D rendering program file
        H         Hewlett-Packard pen plotter (HPGL file format)
        D         DEC ReGIS graphics (VT240 terminal)
        E         Epson MX-80 dot-matrix printer
        C         Prowriter/Imagewriter dot-matrix printer
        T         Toshiba 24-pin dot-matrix printer
        O         Okidata dot-matrix printer
        B         Houston Instruments plotter
        U         other: one you have inserted code for
 Choose one: 

Here are the choices, with some comments on each:

Postscript printer file format. This means that the program will generate a file containing Postscript commands as its plot file. This can be printed on any Postscript-compatible laser printer. The page size is assumed to be 8.5 by 11 inches, but as plotting is within this limit A4 metric paper should work well too. This is the best quality output option. For this printer the menu options in DRAWGRAM and DRAWTREE that allow you to select one of the built-in fonts will work. The programs default to Times-Roman when this plotting option is in effect. I have been able to use fonts Courier, Times-Roman, and Helvetica. The others have eluded me for some reason known only to those who really understand Postscript.

If your laser printer, supposedly Postcript-compatible, refuses to print the plot file, you might consider whether the first line of the plot file, which starts with %! needs to be altered somehow or eliminated. If your Laserwriter is hooked to a Macintosh it will be necessary to persuade it to print the plot file. In recent versions of the Macintosh operating systems this can supposedly be done by dragging the file icon onto the printer icon on the desktop. In earlier versions of the MacOS operating system you might have to use a utility called the Laserwriter Font Utility, which was distributed with the operating system.

PICT format (for drawing programs). This file format is read by many drawing programs (an early example was MacDraw). It has support for some fonts, though if fonts are used the species names can only be drawn horizontally or vertically, not at other angles in between. The control over line widths is a bit rough also, so that some lines at different angles may turn out to be different widths when you do not want them to be. If you are working on a Macintosh system and have not been able to persuade it to print a Postscript file, this option may be the best solution, as you could then read the file into a drawing program and then order it to print the resulting screen. The PICT file format has font support, and the default font for this plotting option is set to Times. You can also choose font attributes for the labels such as Bold, Italic, Outline, and Shadowed.

HP Laserjet PCL file format. Hewlett-Packard's extremely popular line of laser printers has been emulated by many other brands of laser printer, so that this format is compatible with more printers than any other. One limitation of the PCL4 command language for these printers is that it does not have primitive operations for drawing arbitrary diagonal lines. This means that they must be treated by these programs as if they were dot matrix printers with a great many dots. This makes output files large, and output can be slow. The user will be asked to choose the dot resoluton (75, 150, or 300 dots per inch). The 300 dot per inch setting should not be used if the laser printer's memory is less than 512k bytes. The quality of output is also not as good as it might be so that the Postscript file format will usually produce better results even at the same resolution. I am grateful to Kevin Nixon for inadvertently pointing out that on Laserjets one does not have to dump the complete bitmap of a page to plot a tree.

MS-Windows Bitmap. This file format is used by most Windows drawing and paint programs, including Windows Paint which comes with the Windows operating system. It asks you to choose the height and width of the graphic image in pixels. For the moment, the image is set to be a monochrome image which can only be black or white. We hope to change that soon, but note that by pasting the image into a copy of Paint that is set to have a color image of the appropriate size, one can get a version whose color can be changed. Note also that Windows Bitmap files can be used as "wallpaper" images for the background of a desktop.

IBM PC graphics screens. The code for this in the programs is available in the precompiled PC executables or if you compile the programs yourself in C. The graphics modes supported are CGA, EGA, VGA, Hercules, and AT&T (Olivetti). This option is also available for previewing plots, and in either previewing or final plotting it draws directly on the screen and does not make a plot file.

FIG 2.0 drawing program format. This is the file format of the free drawing program Xfig, available for X-windows systems on Unix or Linux systems. Xfig can be obtained from http://duke.usask.ca/~macphed/soft/fig/

You should also get transfig, which contains the fig2dev program which converts xfig output to the various printer languages. Transfig is on the same machine in

    /contrib/R5fixes/transfig-patches/transfig.2.1.6.tar.Z.

The present format does not write the species labels in fonts recognized by Xfig but draws them with lines. This often makes the names look rather bumpy. We hope to change this soon.

Idraw drawing program format. Idraw is a free drawing program for X windows systems (such as Unix and Linux systems). Its interface is loosely based on MacDraw, and I find it much more useable than Xfig. Though it was unsupported for a number of years, it has more recently been actively supported by Scott Johnston, of Vectaport, Inc. (http://www.vectaport.com). He has produced, in his ivtools package, a number of specialized versions of Idraw, and he also distributes the original Idraw as part of it. Linux executables for all these are available from Vectaport, or from various archive machines.

The Idraw file format that our programs produce can be read into Idraw, or can be imported into the other Ivtools programs. The file format saved from Idraw (or which can be exported from the other Ivtools programs) is Postscript, and if one does not print directly from Idraw one can simply send the file to the printer. But the format we produce is missing some of the header information and will not work directly as a Postscript file. However if you read it into Idraw and then save it (or import it into one of the other Ivtools programs and then export it) you will get a Postscript version that is fully useable.

DRAWGRAM and DRAWTREE have font support in their Idraw file format options. The default font is Times-Bold but you can also enter the name of any other font that is supported by your Postscript printer. Idraw labels can be rotated to any angle.

VRML Virtual Reality Markup Language file. This is by far the most interesting plotting file format. VRML files describe objects in 3-dimensional space with lighting on them. A number of freely available "virtual reality browsers" such as Cosmo Player can read VRML files. A list of available virtual reality browsers and browser plugins can be found at http://www.web3d.org/vrml/browpi.htm. These allow you to wander around looking at the tree from various angles, including from behind! At the moment our VRML output is primitive, with labels that always look the same no matter what angle you look at them from, and with a "sun" that is always behind you. The tree is made of three-dimensional tubes but is basically flat. We hope to change these soon. What's next? Trees whose branches stick out in three dimensions? Animated trees whose forks rotate slowly? A video game involving combat among schools of systematists?

PCX file format (for drawing programs). A bitmap format that was formerly much used on the PC platform, this has been largely superseded by the Windows Bitmap (BMP) format, but it is still useful. This file format is simple and is read by many other programs as well. The user must choose one of three resolutions for the file, 640x480, 800x600, or 1024x768. The file is a monochrome paint file. Our PCX format is correct but is not read correctly by versions of Microsoft Paint (PBrush) that are running on systems that have loaded Word97.

Tektronix 4010 graphics terminal. The plot file will contain commands for driving the Tektronix series of graphics terminals. Other graphics terminals were compatible with the Tektronix 4010 and its immediate descendants. The PCDOS version of the public domain communications program Kermit, versions 2.30 and later, can emulate a Tektronix graphics terminal if the command "set terminal tek" is given. Of course that assumes that you are communicating with another computer. There are also similar terminal emulation programs for Macintoshes that emulate Tektronix graphics. On workstations with X windows you can use one option of the "xterm" utility to create a Tektronix-compatible window. On Sun workstations there used to be a Tektronix emulator you can run called "tektool" which can be used to view the trees. The Tektronix option is also available in our programs for previewing the plots, in which case the plotting commands will be not be written into a file but will be sent directly to your terminal.

X Bitmap format. This produces an X-bitmap for the X Windows system on Unix or Linux systems, which can be displayed on X screens. You will be asked for the size of the bitmap (e.g., 16x16, or 256x256, etc.). This format cannot be printed out without further format conversion but is usable for backgrounds of windows ("wallpaper"). This can be a very bulky format if you choose a large bitmap. The bitmap is a structure that can actually be compiled into a C program (and thus built in to it), if you should have some reason for doing that.

POVRAY 3D rendering program file. This produces a file for the free ray-tracing program POVRay (Persistence of Vision Raytracer), which is available at http://www.povray.org/. It shows a tree floating above a flat landscape. The tree is flat but made out of tubes (as are the letters of the species names). It casts a realistic shadow across the landscape. lit from over the left shoulder of the viewer. You will be asked to confirm the colors of the tree branches, the species names, the background, and the bottom plane. These default to Blue, Yellow, White, and White respectively.

Rayshade 3D rendering program file. The input format for the free ray-tracing program "rayshade" which is available at http://www-graphics.stanford.edu/~cek/rayshade/rayshade.html for many kinds of systems. Rayshade takes files of this format and turns them into color scenes in "raw" raster format (also called "MTV" format after a raytracing program of that name). If you get the pbmplus package (available from http://sourceforge.net/projects/netpbm/). and compile it on your system you can use the "mtvtoppm" and "ppmtogif" programs to convert this into the widely-used GIF raster format. (the pbmplus package will also allow you to convert into tiff, pcx and many other formats) The resultant image will show a tree floating above a landscape, rendered in a real-looking 3-dimensional scene with shadows and illumination. It is possible to use Rayshade to make two scenes that together are a stereo pair. When producing output for Rayshade you will be asked by the DRAWGRAM or DRAWTREE whether you want to reset the values for the colors you want for the tree, the species names, the background, and the desired resolution.

Hewlett-Packard pen plotter (HPGL file format). This means that the program will generate a file as its plot file which uses the HPGL graphics language. Hewlett-Packard 7470, 7475, and many other plotters are compatible with this. The paper size is again assumed to be 8.5 by 11 inches (again, A4 should work well too). It is assumed that there are two pens, a finer one for drawing names, and the HPGL commands will call for switching between these. The Hewlett-Packard Laserjet III printer can emulate an HP plotter, and this feature is included in its PCL5 command language (but not in the PCL4 command languages of earlier Hewlett-Packard models). As plotters are now rare the main use of HPGL will be when they are emulated by laser printers, but other file formats such as PCL and Postscript will be better choices in those cases.

DEC ReGIS graphics (VT240 terminal). The DEC ReGIS standard is used by the VT240 and VT340 series terminals by DEC (Digital Equipment Corporation). There used to be many graphics terminals that emulate the VT240 or VT340 as well. The DECTerm windows in many versions of Digital's (now Compaq's) DECWindows windowing system do so. This option is available in our programs for previewing trees as well. In preview mode it does not write a plot file but sends the commands directly to the screen; in final mode it writes a plot file. In DEC's version of Unix, Ultrix version 4.1 and later, the windowing system allows DEC ReGIS graphics as a default.

Epson MX-80 dot-matrix printer. This file format is for the dot-matrix printers by Epson (starting with the MX80 and continuing on to many other models), as well as the IBM Graphics printers. The code here plots in double-density graphics mode. Many of the later models are capable of higher-density graphics but not with every dot printed. This density was chosen for reasonably wide compatibility. Many other dot-matrix printers on the market have graphics modes compatible with the Epson printers. I cannot guarantee that the plot files generated by these programs will be compatible with all of these, but they do work on Epsons. They have also worked, in our hands, on IBM Graphics Printers. There used to be many printers that claimed compatibility with these too, but I do not know whether it will work on all of them. If you have trouble with any of these you might consider trying in the epson option of procedure initplotter to put in a fprintf statement that writes to plotfile an escape sequence that changes line spacing. As dot matrix printers are rare these days, I suspect this option will not get much testing.

Prowriter/Imagewriter dot-matrix printer. The trading firm C. Itoh distributed this line of dot-matrix printers, which was made by Tokyo Electric (TEC) and also was sold by NEC under the product number PC8023. These were 9-pin dot matrix printers. In a slightly modified form they were also the Imagewriter printer sold by Apple for their Macintosh line. The same escape codes seem to work on both machines, the Apple version being a serial interface version. They are not related to the IBM Proprinter, despite the name.

Toshiba 24-pin dot-matrix printer. The 24-pin printers from Toshiba were covered by this option. These included the P1340, P1350, P1351, P351, 321, and later models. For a 24-pin printer the plot file can get fairly large as it contains a bit map of the image and there are more bits with a 24-pin image. Printing was usually slow.

Okidata dot-matrix printer. The ML81, 82, 83 and ML181, 182, 183 line of dot-matrix printers from Okidata had their own graphics codes and those are dealt with by this option. The later Okidata ML190 series emulated IBM Graphics Printers so that you would not want to use this option for them but the option for that printer.

Houston Instruments plotter. The Houston Instruments line of plotters were also known as Bausch and Lomb plotters. The code in the programs for these has not been tested recently; I would appreciate anyone who tries it out telling me whether it works. I do not have access to such a plotter myself, and doubt most users will come across one.

Conversion from these formats to others is also possible. There is a free program by Jef Poskanzer called "PBMPLUS" that interconverts many bitmap formats (see above under Rayshade).

Drivers for Preview of Plots

Plots may be previewed in a number of formats which are chosen using the menu option. Previewing defaults to different drivers depending on which kind of system you are running the programs on. For Unix or Linux systems it defaults to X Windows, for Windows systems to Windows graphics, and for Macintosh systems to macintosh graphics screens.

We have already mentioned (above) some of the options that are also used for previewing. These include:

MSDOS Graphics Screens. These were mentioned above as possible output images.

Macintosh graphics screens. Using the windowing features of Codewarrior C from Metrowerks, our Macintosh executables open a graphics window and draw preview trees in it. We have not provided this option for final plotting of the tree. The window is about 2/3 the height of the desktop screen and has the tree drawn in black on a white background. After the preview appears, you can dismiss the window by closing it using the usual little box in its corner, or by typing Command-Q.

X Windows display. Our Unix and Linux code tries to do previews in X Windows. We hope that the Unix/Linux Makefle will find the correct libraries to link from. An X window appears with the preview of the tree in it. To dismiss this window one needs to put the mouse over the text window that had the menus in it (or click on them) and then type Y or N to plot the tree or return to the menu.

MS Windows display. The executables produced using the Cygwin Gnu C++ compiler should produce this graphics preview window. The preview window can be dismissed using its File menu. In its menu the Change Parameters otion will lead you back to the text menu to make more changes, and the Plot option will cause the final plot file to be written. The Quit option will interrupt the program, causing no plot file to b produced. Normally you will not want to use that option.

Tektronix 4010 graphics terminal. This previewing option was described above as a final plot option.

DEC ReGIS graphics (VT240 terminal). This previewing option was described above as a final plot option.

Problems Copying Files to Printers

A problem may arose in how to get the plot files to the plotting device or printer. One has to copy them directly, but one should be careful to not let your serial or parallel port strip off the high-order bits in the bytes if you are using one of the options that generate nonprintable characters. This will be true for most of the dot matrix printers and for bitmaps dumped to an HP Laserjet-compatible printer. This can be a problem under Unix or MSDOS. If, for example, you have a dot-matrix printer connected to a parallel port under PCDOS, to copy the file PLOTFILE to the printer without losing the high-order bits, you must use the /B switch on the COPY command:

  COPY/B PLOTFILE PRN:

The VAX VMS Line Length Problem

A problem that may occur under some operating systems, particularly the VMS operating system for Digital VAXes, is having a plot file with lines that exceed some operating system limit such as 255 characters. This can happen if you are using the Tektronix option. You should set your terminal type with the command

   $ SET TERM/NOWRAP/ESCAPE

which will allow Tektronix and DEC ReGIS plots to successfully appear on your terminal. That way, if you have a terminal capable of plotting one of these kinds of plots, the operating system will not interfere with the process. It will not be possible to use files of Tektronix commands as final plot files, however, as the TYPE command usually used to get them to appear on the screen does not allow lines longer than 2048 bytes, and Tektronix plots are single lines longer than that.

Other problems and opportunities

Another problem is adding labels (such as vertical scales and branch lengths) to the plots produced by this program. This may require you to use the BMP, PICT, Idrawm, Xfig, PCX or Postscript file format and use a draw or paint program to add them.

I would like to add more fonts. The present fonts are recoded versions of the Hershey fonts. They are legally publicly distributable. Most other font families on the market are not public domain and I cannot afford to license them for distribution. Some people have noticed that the Hershey fonts, which are drawn by a series of straight lines, have noticeable angles in what are supposed to be curves, when they are printed on modern laser printers and looked at closely. This is less a problem than one might think since, fortunately, when scientific journals print a tree it is usually shrunk so small that these imperfections (and often the tree itself) are hard to see!

One more font that could be added from the Hershey font collection would be a Greek font. If Greek users would find that useful I could add it, but my impression is that they publish mostly in English anyway.

Writing Code for a new Plotter, Printer or File Format

The C version of these programs consists of two C programs, "drawgram.c" and "drawtree.c". Each of these has common sections of code compiled into it called "draw.c", "draw2.c" and a common header file, "draw.h". In addition the Macintosh version requires two more files, "interface.c" and "interface.h". All of the graphics commands that are common to both programs will be found in "draw.c" and "draw2.c". The following instructions for writing your own code to drive a different kind of printer, plotter, or graphics file format, require you only to make changes in "drawgraphics.c". The two programs can then be recompiled.

If you want to write code for other printers, plotters, or vector file formats, this is not too hard. The plotter option "U" is provided as a place for you to insert your own code. Chris Meacham's system was to draw everything, including the characters in the names and all curves, by drawing a series of straight lines. Thus you need only master your plotter's commands for drawing straight lines. In function "plotrparms" you must set up the values of variables "xunitspercm" and "yunitspercm", which are the number of units in the x and y directions per centimeter, as well as variables "xsize" and "ysize" which are the size of the plotting area in centimeters in the x direction and the y direction. A variable "penchange" of a user-defined type is set to "yes" or "no" depending on whether the commands to change the pen must be issued when switching between plotting lines and drawing characters. Even though dot-matrix printers do not have pens, penchange should be set to "yes" for them. In function "plot" you must issue commands to draw a line from the current position (which is at (xnow, ynow) in the plotter's units) to the position (xabs, yabs), under the convention that the lower-left corner of the plotting area is (0.0, 0.0). In functions "initplotter" and "finishplotter" you must issue commands to initialize the plotter and to finish plotting, respectively. If the pen is to be changed an appropriate piece of code must be inserted in function "penchange".

For dot matrix printers and raster graphics matters are a bit more complex. The functions "plotrparms", "initplotter", "finishplotter" and "plot" still respectively set up the parameters for the plotter, initialize it, finish a plot, and plot one line. But now the plotting consists of drawing dots into a two-dimensional array called "stripe". Once the plot is finished this array is printed out. In most cases the array is not as tall as a full plot: instead it is a rectangular strip across it. When the program has finished drawing in ther strip, it prints it out and then moves down the plot to the next strip. For example, for Hewlett-Packard Laserjets we have defined the strip as 2550 dots wide and 20 dots deep. When the program goes to draw a line, it draws it into the strip and ignores any part of it that falls outside the strip. Thus the program does a complete plotting into the strip, then prints it, then moves down the diagram by (in this case) 20 dots, then does a complete plot into that strip, and so on.

To work with a new raster or dot matrix format, you will have to define the desired width of a strip ("strpwide"), the desired depth ("strpdeep"), and how many lines of bytes must be printed out to print a strip. For example Toshiba P351 printers in graphics mode print strips of dots 1350 bits wide by 24 bits deep, each column of 24 bits printing out as consecutive four bytes with 6 bits each. In that case, one prints out a strip by printing up to 1350 groups of 4 bytes. "strpdiv" is 4, and "strpwide" is 1350, and "strpdeep" is 24. Procedure "striprint" is the one that prints out a strip, and has special-case code for the different printers and file formats. For file formats, all of which print out a single row of dots at a time, the variable "strpdiv" is not used. The variable "dotmatrix" is set to "true" or "false" in function "plotrparms" according to whether or not "strpdiv" is to be used. Procedure "plotdot" sets a single dot in the array "strip" to 1 at position (xabs, yabs). The coordinates run from 1 at the top of the plot to larger numbers as we proceed down the page. Again, there is special-case code for different printers and file formats in that function. You will probably want to read the code for some of the dot matrix or file format options if you want to write code for one of them. Many of them have provision for printing only part of a line, ignoring parts of it that have no dots to print.

I would be happy to obtain the resulting code from you to consider adding it to this listing so we can cover more kinds of plotters, printers, and file formats.


APPENDIX 1.

Code to drive some other graphics devices. These pieces of code are to be inserted in the places reserved for the "Y" plotter option. The variables necessary to run this have already been incorporated into the programs.

Calcomp plotters:

Calcomp's industrial-strength plotters are not as much a fixture of University computer centers as they one were, but just in case you need to use one, this code should work:

A global declaration needed near the front of drawtree.c:

Char cchex[16];

Code to be inserted into function plotrparms:

  case 'Y':
    plotter = other;
    xunitspercm = 39.37;
    yunitspercm = 39.37;
    xsize = 25.0;
    ysize = 25.0;
    xposition = 12.5;
    yposition = 0.0;
    xoption = center;
    yoption = above;
    rotation = 0.0;
    break;

Code to be inserted into function plot:

Declare these variables at the beginning of the function:

long n, inc, xinc, yinc, xlast, ylast, xrel,
   yrel, xhigh, yhigh, xlow, ylow;
Char quadrant;

and insert this into the switch statement:

  case other:
    if (penstatus == pendown)
      putc('H', plotfile);
    else
      putc('D', plotfile);
    xrel = (long)floor(xabs + 0.5) - xnow;
    yrel = (long)floor(yabs + 0.5) - ynow;
    xnow = (long)floor(xabs + 0.5);
    ynow = (long)floor(yabs + 0.5);
    if (xrel > 0) {
      if (yrel > 0)
	quadrant = 'P';
      else
	quadrant = 'T';
    } else if (yrel > 0)
      quadrant = 'X';
    else
      quadrant = '1';
    xrel = labs(xrel);
    yrel = labs(yrel);
    if (xrel > yrel)
      n = xrel / 255 + 1;
    else
      n = yrel / 255 + 1;
    xinc = xrel / n;
    yinc = yrel / n;
    xlast = xrel % n;
    ylast = yrel % n;
    xhigh = xinc / 16;
    yhigh = yinc / 16;
    xlow = xinc & 15;
    ylow = yinc & 15;
    for (i = 1; i <= n; i++)
      fprintf(plotfile, "%c%c%c%c%c",
	      quadrant, cchex[xhigh - 1], cchex[xlow - 1], cchex[yhigh - 1],
	      cchex[ylow - 1]);
    if (xlast != 0 || ylast != 0)
      fprintf(plotfile, "%c%c%c%c%c",
	      quadrant, cchex[-1], cchex[xlast - 1], cchex[-1],
	      cchex[ylast - 1]);
    break;

Code to be inserted into function initplotter:

  case other:
    cchex[-1] = 'C';
    cchex[0] = 'D';
    cchex[1] = 'H';
    cchex[2] = 'L';
    cchex[3] = 'P';
    cchex[4] = 'T';
    cchex[5] = 'X';
    cchex[6] = '1';
    cchex[7] = '5';
    cchex[8] = '9';
    cchex[9] = '/';
    cchex[10] = '=';
    cchex[11] = '#';
    cchex[12] = '"';
    cchex[13] = '\'';
    cchex[14] = '^';
    xnow = 0.0;
    ynow = 0.0;
    fprintf(plotfile, "CCCCCCCCCC");
    break;

Code to be inserted into function finishplotter:

  case other:
    plot(penup, 0.0, yrange + 50.0);
    break;
./arbsrc_9167/GDE/PHYLIP/doc/drawtree.html0000644012664100000130000003773111213220011020005 0ustar arb_buildcoders drawtree
version 3.6

DRAWTREE

© Copyright 1990-2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

DRAWTREE interactively plots an unrooted tree diagram, with many options including orientation of tree and branches, label sizes and angles, margin sizes. Particularly if you can use your computer screen to preview the plot, you can very effectively adjust the details of the plotting to get just the kind of plot you want.

To understand the working of DRAWGRAM and DRAWTREE, you should first read the Tree Drawing Programs web page in this documentation.

As with DRAWGRAM, to run DRAWTREE you need a compiled copy of the program, a font file, and a tree file. The tree file has a default name of intree. The font file has a default name of "fontfile". If there is no file of that name, the program will ask you for the name of a font file (we provide ones that have the names font1 through font6). Once you decide on a favorite one of these, you could make a copy of it and call it fontfile, and it will then be used by default. Note that the program will get confused if the input tree file has the number of trees on the first line of the file, so that numbr may have to be removed.

Once these choices have been made you will see the central menu of the program, which looks like this:


Unrooted tree plotting program version 3.6a3

Here are the settings: 

 0  Screen type (IBM PC, ANSI)?  (none)
 P       Final plotting device:  Postscript printer
 V           Previewing device:  X Windows display
 B          Use branch lengths:  Yes
 L             Angle of labels:  branch points to Middle of label
 R            Rotation of tree:  90.0
 A       Angle of arc for tree:  360.0
 I     Iterate to improve tree:  Equal-Daylight algorithm
 D  Try to avoid label overlap?  No
 S      Scale of branch length:  Automatically rescaled
 C   Relative character height:  0.3333
 F                        Font:  Times-Roman
 M          Horizontal margins:  1.65 cm
 M            Vertical margins:  2.16 cm
 #           Page size submenu:  one page per tree

 Y to accept these or type the letter for one to change

These are the settings that control the appearance of the tree, which has already been read in. You can either accept these as is, in which case you would answer Y to the question and press the Return or Enter key, or you can answer N if you want to change one, or simply type the character corresponding to the one you want to change (if you answer N it will just immediately ask you for that number anyway).

For a first run, particularly if previewing is available, you might accept these default values and see what the result looks like. The program will then tell you it is about to preview the tree and ask you to press Return or Enter when you are ready to see this (you will probably have to press it twice). If you are on a Windows system (and have its graphics selected as your previewing option), on a Unix or Linux system and are using X windows for previewing, or are on a Macintosh system, a new window will open with the preview in it. If you are using the Tektronix preview option the preview will appear in the window where the menu was.

On X Windows, Macintosh, and Windows you can resize the preview window, though for some of these you may have to ask the system to redraw the preview to see it at the new window size.

Once you are finished looking at the preview, you will want to specify whether the program should make the final plot or change some of the settings. This is done differently on the different previews:

  • In X Windows you should make the menu window the active window. You may need to move the mouse over it, or click in it, or click on its top bar. You do not need to try to close the preview window yourself, and usually if you do this will cause trouble.
  • In Windows use the File menu in the preview window and choose either the Change Parameters menu item, or if you are ready to make the final plot, choose the Plot menu item.
  • On a Macintosh system, you can simply use the little box in the corner of the preview window to close it. The text window for the menu will then be active.
  • In PC graphics press on the Enter key. The screen with the preview should disappear and the settings menu reappear.
  • With a Tektronix preview, you may need to change your screen from a Tektronix-compatible mode to see the menu again.

Except with the Macintosh preview, the program will now ask you if the tree is now ready to be plotted. If you answer Y (for Yes) (or choose this option in the File menu of the preview window in the case of Windows) the program will usually write a plot file (with some plot options it will draw the tree on the screen). Then it will terminate.

But if you do not say that you are ready to plot the tree, it will go back to the above menu, allow you to change more options, and go through the whole process again. The easiest way to learn the meaning of the options is to try them, particularly if previewing is available. Below I will describe them one by one; you may prefer to skip reading this unless you are puzzled about one of them.

THE OPTIONS

O
This is an option that allows you to change the menu window to be an ANSI terminal or an IBM PC terminal. Generally you will not want to change this.

P
This allows you to choose the Plotting device or file format. We have discussed the possible choices in the draw programs documentation web page.

V
This allows you to change the type of preView window (or even turn off previewing. We have discussed the different possible choices in the draw programs documentation web page.

B
Whether the tree has Branch lengths that are being used in the diagram. If the tree that was read in had a full set of branch lengths, it will be assumed as a default that you want to use them in the diagram, but you can specify that they are not to be used. If the tree does not have a full set of branch lengths then this will be indicated, and if you try to use branch lengths the program will refuse to allow you to do so.

L
The angle of the Labels. Initially the branches connected to the tips will point to the middles of the labels. If you want to change the way the labels are drawn, the program will offer you a choice between Fixed, Middle, Radial, and Along as the ways the angles of the labels are to be determined. If you choose Fixed (the default), you will be asked if you want labels to be at some fixed angle, between 90.0 and -90.0 degrees, you can specify that. You may have to try different angles to find one that keeps the labels from colliding: I have not guarded against this. However there are additional options. The other systems for determining angles of labels are Middle (M), Radial (R) and Along (A). Middle has the branch connected to that tip point to the midpoint of the label. Radial indicates that the labels are all aligned to as to point toward the root node of the tree. Along aligns them to have the same angle as the branch connected to that tip. This is particularly likely to keep the labels from colliding, but it may give a misleading impression that the final branch is long. Note that with the Radial option, if you do not like the point from which the labels appear to radiate, you might try re-rooting the tree (option 7).

R
The rotation of the tree. This is initially 90.0 degrees. The angle is read out counterclockwise from the right side of the tree, so that increasing this angle will rotate the tree counterclockwise, and decreasing it will rotate it clockwise. The meaning of this angle is explained further under option A. As you rotate the tree, the appearance (and size) may change, but the labels will not rotate if they are drawn at a Fixed angle.

A
The Angle through which the tree is plotted. This is by default 360.0 degrees. The tree is in the shape of an old-fashioned hand fan. The tree fans out from its root node, each of the subtrees being allocated part of this angle, a part proportional to how many tips the subtree contains. If the rotation of the tree is (say) 90.0 degrees (the default under option R), the fan starts at +270 degrees and runs clockwise around to -90 degrees (i.e., it starts at the bottom of the plot and runs clockwise around until it returns to the bottom. Thus the center of the fan runs from the root upwards (which is why we say it is rotated to 90.0 degrees). By changing option R we can change the direction of the fan, and by changing option A we can change the width of the fan without changing its center line. If you want the tree to fan out in a semicircle, a value of a bit greater than 180 degrees would be appropriate, as the tree will not completely fill the fan. Note that using either of the iterative improvement methods mentioned below is impossible if the angle is not 360 degrees.

I
Whether the tree angles will be Iteratively improved. There are three methods available:

Equal Arc
This method, invented by Christopher Meacham in PLOTREE, the predecessor to this program, starts from the root of the tree and allocates arcs of angle to each subtree proportional to the number of tips in it. This continues as one moves out to other nodes of the tree and subdivides the angle allocated to them into angles for each of that node's dependent subtrees. This method is fast, and never results in lines of the tree crossing. It is the method used to make a starting tree for the other two methods.

Equal Daylight
This iteratively improves an initial tree by successively going to each interior node, looking at the subtrees (often there are 3 of them) visible from there, and swinging them so that the arcs of "daylight" visible between them are equal. This is not as fast as Equal Arc but should never result in lines crossing. It gives particularly good-looking trees, and it is the default method for this program. It will be described in a future paper by me. This method has also been licensed to David Swofford for use in his program PAUP*

N-Body
This assumes that there are electrical charges located at the ends of all the branches, and that they repel each other with a force that varies (as electrical repulsion would) as the inverse square of the distance between them. The tree adjusts its shape until the forces balance. This can be computationally slow, and can result in lines crossing. I find the trees inferior to Equal Daylight, but it is worth a try.

D
Whether the program tries to avoiD overlap of the labels. We have left this off by default, because it is a rather feeble option that is frequently unsuccessful, and often make the trees look wierd. Nevertheless it may be worth a try.

S
On what Scale the branch lengths will be translated into distances on the output device. Note that when branch lengths have not been provided, there are implicit branch lengths of 1.0 per branch. This option will toggle back and forth between automatic adjustment of branch lengths so that the diagram will just fit into the margins, and you specifying how many centimeters there will be per unit branch length. This is included so that you can plot different trees to a common scale, showing which ones have longer or shorter branches than others. Note that if you choose too large a value for centimeters per unit branch length, the tree will be so big it will overrun the plotting area and may cause failure of the diagram to display properly. Too small a value will cause the tree to be a nearly invisible dot.

C
The Character height, measured as a fraction of a quantity which is the horizontal space available for the tree, divided by one less than the number of tips. You need not worry about exactly what this is: you can always change the value (which is initially 0.3333) to make the labels larger or smaller. On output devices where line thicknesses can be varied, the thickness of the tree lines will automatically be adjusted to be proportional to the character height, which is an additional reason you may want to change character height.

F
Allows you to select the name of the Font that you will use for the species names. This is allowed for some of the plotter drivers (this menu item does not appear for the others). You can select the name of any font that is available for your plotter, for example "Courier-Bold" or "Helvetica". The label will then be printed using that font rather than being drawn line-by-line as it is in the default Hershey font. In the preview of the tree, the Hershey font is always used (which means that it may look different from the final font). The size of the characters in the species names is scaled according to the label heights you have selected in the menu, whether plotter fonts or the Hershey font are used. Note that for some plotter drivers (particular Xfig and PICT) fonts can be used only if the species labels are horizontal or vertical (at angles of 0 degrees or 90 degrees).

M
The horizontal and vertical Margins in centimeters. You can enter new margins (you must enter new values for both horizontal and vertical margins, though these need not be different from the old values). For the moment I do not allow you to specify left and right margins separately, or top and bottom margins separately. In a future release I hope to do so.

G
If iterative improvement is not turned on in option I (so that we are employing the Equal Arc method), this option appears in the menu. It controls whether the angles of lines will be "regularized". Regularization is on by default. It takes the angles of the branches coming out from each node, and changes them so that they are "rounded off". This process (which I will not fully describe) will make the lines vertical if they are close to vertical, horizontal if they are close to horizontal, 45 degrees if they are close to that, and so on. It will lead to a tree in which angles look very regular. You may or may not want that. If you are unhappy with the appearance of the tree when using this option, you could try rotating it slightly (option R) as that may cause some branches to change their angle by a large amount, by having the angles be "rounded off" to a different value.

#
The number of pages per tree. Defaults to one, but if you need a physically large tree you may want to choose a larger number. For example, to make a big tree for a poster, choose a larger number of pages horizontally and vertically (the program will ask you for these numbers), get out your scissors and paste or tape, and go to work.

I recommend that you try all of these options (particularly if you can preview the trees). It is of particular use to try trees with different iteration methods (option I) and with regularization (option G). You will find that variety of effects can be achieved.

I would appreciate suggestions for improvements in DRAWTREE, but please be aware that the source code is already very large and I may not be able to implement all suggestions. ./arbsrc_9167/GDE/PHYLIP/doc/factor.html0000644012664100000130000003112411213220011017434 0ustar arb_buildcoders factor

version 3.6

FACTOR - Program to factor multistate characters.

© Copyright 1986-2002 by The University of Washington. Written by Christopher Meacham and Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

Note: Factor is an Old Style program. This means that it takes some of its options information, notably the Ancestral states and Factors options from the input file rather than from separate files of their own as the New Style programs in this version of PHYLIP do.

Programmed by C. Meacham, Botany, Univ. of Georgia, Athens, Georgia .ce (current address: University of California, Berkeley, California 94720) .ce additional code and documentation by Joe Felsenstein

This program factors a data set that contains multistate characters, creating a data set consisting entirely of binary (0,1) characters that, in turn, can be used as input to any of the other discrete character programs in this package, except for PARS. Besides this primary function, FACTOR also provides an easy way of deleting characters from a data set. The input format for FACTOR is very similar to the input format for the other discrete character programs except for the addition of character-state tree descriptions.

Note that this program has no way of converting an unordered multistate character into binary characters. This is a weakness of the Old Style discrete characters programs in this package. Fortunately, PARS has joined the package, and it enables unordered multistate characters, in which any state can change to any other in one step, to be analyzed with parsimony.

FACTOR is really for a different case, that in which there are multiple states related on a "character state tree", which specifies for each state which other states it can change to. That graph of states is assumed to be a tree, with no loops in it.

The first line of the input file should contain the number of species and the number of multistate characters. This first line is followed by the lines describing the character-state trees, one description per line. The species information constitutes the last part of the file. Any number of lines may be used for a single species.

FIRST LINE

The first line is free format with the number of species first, separated by at least one blank (space) from the number of multistate characters, which in turn is separated by at least one blank from the options, if present.

OPTIONS

The options are selected from a menu that looks like this:


Factor -- multistate to binary recoding program, version 3.6a3

Settings for this run:
  A      put ancestral states in output file?  No
  F   put factors information in output file?  No
  0       Terminal type (IBM PC, ANSI, none)?  (none)
  1      Print indications of progress of run  Yes

Are these settings correct? (type Y or the letter for one to change)

The options particular to this program are:

A
Choosing the A (Ancestors) options toggles on and off the setting that causes a line to be written in the output that describes the states of the ancestor as indicated by the character-state tree descriptions (see below). If the ancestral state is not specified by a particular character-state tree, a "?" signifying an unknown character state will be written. The multistate characters are factored in such a way that the ancestral state in the factored data set will always be "0". The ancestor line does not get counted as a species.

F
Choosing the F (Factors) option toggles on and off a setting that will cause a "FACTORS" line to be written in the output. This line will indicate to other programs which factors came from the same multistate character. Of the programs currently in the package only SEQBOOT, MOVE, and DOLMOVE use this information.

CHARACTER-STATE TREE DESCRIPTIONS

The character-state trees are described in free format. The character number of the multistate character is given first followed by the description of the tree itself. Each description must be completed on a single line. Each character that is to be factored must have a description, and the characters must be described in the order that they occur in the input, that is, in numerical order.

The tree is described by listing the pairs of character states that are adjacent to each other in the character-state tree. The two character states in each adjacent pair are separated by a colon (":"). If character fifteen has this character state tree for possible states "A", "B", "C", and "D":

                         A ---- B ---- C
                                |
                                |
                                |
                                D

then the character-state tree description would be

                        15  A:B B:C D:B

Note that either symbol may appear first. The ancestral state is identified, if desired, by putting it "adjacent" to a period. If we wanted to root character fifteen at state C:

                         A <--- B <--- C
                                |
                                |
                                V
                                D

we could write

                      15  B:D A:B C:B .:C

Both the order in which the pairs are listed and the order of the symbols in each pair are arbitrary. However, each pair may only appear once in the list. Any symbols may be used for a character state in the input except the character that signals the connection between two states (in the distribution copy this is set to ":"), ".", and, of course, a blank. Blanks are ignored completely in the tree description so that even B:DA:BC:B.:C or B : DA : BC : B. : C would be equivalent to the above example. However, at least one blank must separate the character number from the tree description.

DELETING CHARACTERS FROM A DATA SET

If no description line appears in the input for a particular character, then that character will be omitted from the output. If the character number is given on the line, but no character-state tree is provided, then the symbol for the character in the input will be copied directly to the output without change. This is useful for characters that are already coded "0" and "1". Characters can be deleted from a data set simply by listing only those that are to appear in the output.

TERMINATING THE LIST OF TREE DESCRIPTIONS

The last character-state tree description should be followed by a line containing the number "999". This terminates processing of the trees and indicates the beginning of the species information.

SPECIES INFORMATION

The format for the species information is basically identical to the other discrete character programs. The first ten character positions are allotted to the species name (this value may be changed by altering the value of the constant nmlngth at the beginning of the program). The character states follow and may be continued to as many lines as desired. There is no current method for indicating polymorphisms. It is possible to either put blanks between characters or not.

There is a method for indicating uncertainty about states. There is one character value that stands for "unknown". If this appears in the input data then "?" is written out in all the corresponding positions in the output file. The character value that designates "unknown" is given in the constant unkchar at the beginning of the program, and can be changed by changing that constant. It is set to "?" in the distribution copy.

OUTPUT

The first line of output will contain the number of species and the number of binary characters in the factored data set followed by the letter "A" if the A option was specified in the input. If option F was specified, the next line will begin "FACTORS". If option A was specified, the line describing the ancestor will follow next. Finally, the factored characters will be written for each species in the format required for input by the other discrete programs in the package. The maximum length of the output lines is 80 characters, but this maximum length can be changed prior to compilation.

In fact, the format of the output file for the A and F options is not correct for the current release of PHYLIP. We need to change their output to write a factors file and an ancestors file instead of putting the Factors and Ancestors information into the data file.

ERRORS

The output should be checked for error messages. Errors will occur in the character-state tree descriptions if the format is incorrect (colons in the wrong place, etc.), if more than one root is specified, if the tree contains loops (and hence is not a tree), and if the tree is not connected, e.g.

                             A:B B:C D:E

describes

                  A ---- B ---- C          D ---- E

This "tree" is in two unconnected pieces. An error will also occur if a symbol appears in the data set that is not in the tree description for that character. Blanks at the end of lines when the species information is continued to a new line will cause this kind of error.

CONSTANTS AVAILABLE TO BE CHANGED

At the beginning of the program a number of are available to be changed to accomodate larger data sets. These are "maxstates", "maxoutput", "sizearray", "factchar" and "unkchar". The constant "maxstates" gives the maximum number of states per character (set at 20 in the distribution copy). The constant "maxoutput" gives the maximum width of a line in the output file (80 in the distribution copy). The constant "sizearray" must be less than the sum of squares of the numbers of states in the characters. It is initially set to set to 2000, so that although 20 states are allowed (at the initial setting of maxstates) per character, there cannot be 20 states in all of 100 characters.

Particularly important constants are "factchar" and "unkchar" which are not numerical values but a character. Initially set to the colon ":", "factchar" is the character that will be used to separate states in the input of character state trees. It can be changed by changing this constant. (We could have used a hyphen ("-") but didn't because that would make the minus-sign ("-") unavailable as a character state in +/- characters). The constant "unkchar" is the character value in the input data that indicates that the state is unknown. It is set to "?" in the distribution copy. If your computer is one that lacks the colon ":" in its character set or uses a nonstandard character code such as EBCDIC, you will want to change the constant "factchar".

INPUT AND OUTPUT FILES

The input file for the program has the default file name "infile" and the output file, the one that has the binary character state data, has the name "outfile".

----SAMPLE INPUT----- -----Comments (not part of input file) -----
 
   4   6  A
1 A:B B:C        
2 A:B B:.        
4                
5 0:1 1:2 .:0    
6 .:# #:$ #:%    
999              
Alpha     CAW00# 
Beta      BBX01%
Gamma     ABY12#
Epsilon   CAZ01$


     4 species; 6 characters; A option on
     A ---- B ---- C
     B ---> A
     Character 3 deleted; 4 unchanged
     0 ---> 1 ---> 2
     % <--- # ---> $
     Signals end of trees
     Species information begins

     
    
---SAMPLE OUTPUT----- -----Comments (not part of output file) -----
    5    8    A
ANCESTOR  ??0?0000
Alpha     11100000
Beta      10001001
Gamma     00011100
Epsilon   11101010
 
     5 species (incl. anc.); 8 factors
     Chars. 1 and 2 come from old number 1
     Char. 3 comes from old number 2
     Char. 4 is old number 4
     Chars. 5 and 6 come from old number 5
     Chars. 7 and 8 come from old number 6
./arbsrc_9167/GDE/PHYLIP/doc/fitch.html0000644012664100000130000002257611213220011017266 0ustar arb_buildcoders fitch

version 3.6

FITCH -- Fitch-Margoliash and Least-Squares Distance Methods

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program carries out Fitch-Margoliash, Least Squares, and a number of similar methods as described in the documentation file for distance methods.

The options for FITCH are selected through the menu, which looks like this:


Fitch-Margoliash method version 3.6a3

Settings for this run:
  D      Method (F-M, Minimum Evolution)?  Fitch-Margoliash
  U                 Search for best tree?  Yes
  P                                Power?  2.00000
  -      Negative branch lengths allowed?  No
  O                        Outgroup root?  No, use as outgroup species  1
  L         Lower-triangular data matrix?  No
  R         Upper-triangular data matrix?  No
  S                        Subreplicates?  No
  G                Global rearrangements?  No
  J     Randomize input order of species?  No. Use input order
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

Most of the input options (U, P, -, O, L, R, S, J, and M) are as given in the documentation page for distance matrix programs, and their input format is the same as given there. The U (User Tree) option has one additional feature when the N (Lengths) option is used. This menu option will appear only if the U (User Tree) option is selected. If N (Lengths) is set to "Yes" then if any branch in the user tree has a branch length, that branch will not have its length iterated. Thus you can prevent all branches from having their lengths changed by giving them all lengths in the user tree, or hold only one length unchanged by giving only that branch a length (such as, for example, 0.00). You may find program RETREE useful for adding and removing branch lengths from a tree. This option can also be used to compute the Average Percent Standard Deviation for a tree obtained from NEIGHBOR, for comparison with trees obtained by FITCH or KITSCH.

The D (methods) option allows choice between the Fitch-Margoliash criterion and the Minimum Evolution method (Kidd and Sgaramella-Zonta, 1971; Rzhetsky and Nei, 1993). Minimum Evolution (not to be confused with parsimony) uses the Fitch-Margoliash criterion to fit branch lengths to each topology, but then chooses topologies based on their total branch length (rather than the goodness of fit sum of squares). There is no constraint on negative branch lengths in the Minimum Evolution method; it sometimes gives rather strange results, as it can like solutions that have large negative branch lengths, as these reduce the total sum of branch lengths!

Another input option available in FITCH that is not available in KITSCH or NEIGHBOR is the G (Global) option. G is the Global search option. This causes, after the last species is added to the tree, each possible group to be removed and re-added. This improves the result, since the position of every species is reconsidered. It approximately triples the run-time of the program. It is not an option in KITSCH because it is the default and is always in force there. The O (Outgroup) option is described in the main documentation file of this package. The O option has no effect if the tree is a user-defined tree (if the U option is in effect). The U (User Tree) option requires an unrooted tree; that is, it require that the tree have a trifurcation at its base:

     ((A,B),C,(D,E));

The output consists of an unrooted tree and the lengths of the interior segments. The sum of squares is printed out, and if P = 2.0 Fitch and Margoliash's "average percent standard deviation" is also computed and printed out. This is the sum of squares, divided by N-2, and then square-rooted and then multiplied by 100 (n is the number of species on the tree):

     APSD = ( SSQ / (N-2) )1/2 x 100.

where N is the total number of off-diagonal distance measurements that are in the (square) distance matrix. If the S (subreplication) option is in force it is instead the sum of the numbers of replicates in all the non-diagonal cells of the distance matrix. But if the L or R option is also in effect, so that the distance matrix read in is lower- or upper-triangular, then the sum of replicates is only over those cells actually read in. If S is not in force, the number of replicates in each cell is assumed to be 1, so that N is n(n-1), where n is the number of species. The APSD gives an indication of the average percentage error. The number of trees examined is also printed out.

The constants available for modification at the beginning of the program are: "smoothings", which gives the number of passes through the algorithm which adjusts the lengths of the segments of the tree so as to minimize the sum of squares, "delta", which controls the size of improvement in sum of squares that is used to control the number of iterations improving branch lengths, and "epsilonf", which defines a small quantity needed in some of the calculations. There is no feature saving multiply trees tied for best, partly because we do not expect exact ties except in cases where the branch lengths make the nature of the tie obvious, as when a branch is of zero length.

The algorithm can be slow. As the number of species rises, so does the number of distances from each species to the others. The speed of this algorithm will thus rise as the fourth power of the number of species, rather than as the third power as do most of the others. Hence it is expected to get very slow as the number of species is made larger.


TEST DATA SET

    7
Bovine      0.0000  1.6866  1.7198  1.6606  1.5243  1.6043  1.5905
Mouse       1.6866  0.0000  1.5232  1.4841  1.4465  1.4389  1.4629
Gibbon      1.7198  1.5232  0.0000  0.7115  0.5958  0.6179  0.5583
Orang       1.6606  1.4841  0.7115  0.0000  0.4631  0.5061  0.4710
Gorilla     1.5243  1.4465  0.5958  0.4631  0.0000  0.3484  0.3083
Chimp       1.6043  1.4389  0.6179  0.5061  0.3484  0.0000  0.2692
Human       1.5905  1.4629  0.5583  0.4710  0.3083  0.2692  0.0000


OUTPUT FROM TEST DATA SET (with all numerical options on)


   7 Populations

Fitch-Margoliash method version 3.6a3

                  __ __             2
                  \  \   (Obs - Exp)
Sum of squares =  /_ /_  ------------
                                2
                   i  j      Obs

Negative branch lengths not allowed


Name                       Distances
----                       ---------

Bovine        0.00000   1.68660   1.71980   1.66060   1.52430   1.60430
              1.59050
Mouse         1.68660   0.00000   1.52320   1.48410   1.44650   1.43890
              1.46290
Gibbon        1.71980   1.52320   0.00000   0.71150   0.59580   0.61790
              0.55830
Orang         1.66060   1.48410   0.71150   0.00000   0.46310   0.50610
              0.47100
Gorilla       1.52430   1.44650   0.59580   0.46310   0.00000   0.34840
              0.30830
Chimp         1.60430   1.43890   0.61790   0.50610   0.34840   0.00000
              0.26920
Human         1.59050   1.46290   0.55830   0.47100   0.30830   0.26920
              0.00000


  +---------------------------------------------Mouse     
  ! 
  !                                +------Human     
  !                             +--5 
  !                           +-4  +--------Chimp     
  !                           ! ! 
  !                        +--3 +---------Gorilla   
  !                        !  ! 
  1------------------------2  +-----------------Orang     
  !                        ! 
  !                        +---------------------Gibbon    
  ! 
  +------------------------------------------------------Bovine    


remember: this is an unrooted tree!

Sum of squares =     0.01375

Average percent standard deviation =     1.85418

Between        And            Length
-------        ---            ------
   1          Mouse             0.76985
   1             2              0.41983
   2             3              0.04986
   3             4              0.02121
   4             5              0.03695
   5          Human             0.11449
   5          Chimp             0.15471
   4          Gorilla           0.15680
   3          Orang             0.29209
   2          Gibbon            0.35537
   1          Bovine            0.91675


./arbsrc_9167/GDE/PHYLIP/doc/gendist.html0000644012664100000130000003157011213220011017620 0ustar arb_buildcoders gendist

version 3.6

GENDIST - Compute genetic distances from gene frequencies

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program computes any one of three measures of genetic distance from a set of gene frequencies in different populations (or species). The three are Nei's genetic distance (Nei, 1972), Cavalli-Sforza's chord measure (Cavalli- Sforza and Edwards, 1967) and Reynolds, Weir, and Cockerham's (1983) genetic distance. These are written to an output file in a format that can be read by the distance matrix phylogeny programs FITCH and KITSCH.

The three measures have somewhat different assumptions. All assume that all differences between populations arise from genetic drift. Nei's distance is formulated for an infinite isoalleles model of mutation, in which there is a rate of neutral mutation and each mutant is to a completely new alleles. It is assumed that all loci have the same rate of neutral mutation, and that the genetic variability initially in the population is at equilibrium between mutation and genetic drift, with the effective population size of each population remaining constant.

Nei's distance is:

                                      __  __
                                      \   \
                                      /_  /_  p1mi   p2mi
                                       m   i
           D  =  - ln  ( ------------------------------------- ).
                           __  __              __  __             
                           \   \               \   \
                         [ /_  /_  p1mi2]1/2   [ /_  /_  p2mi2]1/2     
                            m   i                m   i

where m is summed over loci, i over alleles at the m-th locus, and where

     p1mi

is the frequency of the i-th allele at the m-th locus in population 1. Subject to the above assumptions, Nei's genetic distance is expected, for a sample of sufficiently many equivalent loci, to rise linearly with time.

The other two genetic distances assume that there is no mutation, and that all gene frequency changes are by genetic drift alone. However they do not assume that population sizes have remained constant and equal in all populations. They cope with changing population size by having expectations that rise linearly not with time, but with the sum over time of 1/N, where N is the effective population size. Thus if population size doubles, genetic drift will be taking place more slowly, and the genetic distance will be expected to be rising only half as fast with respect to time. Both genetic distances are different estimators of the same quantity under the same model.

Cavalli-Sforza's chord distance is given by

                   __              __                     __
                   \               \                      \
     D2    =    4  /_  [  1   -    /_   p1mi1/2 p 2mi1/2]  /  /_  (am  - 1)
                    m               i                        m

where m indexes the loci, where i is summed over the alleles at the m-th locus, and where a is the number of alleles at the m-th locus. It can be shown that this distance always satisfies the triangle inequality. Note that as given here it is divided by the number of degrees of freedom, the sum of the numbers of alleles minus one. The quantity which is expected to rise linearly with amount of genetic drift (sum of 1/N over time) is D squared, the quantity computed above, and that is what is written out into the distance matrix.

Reynolds, Weir, and Cockerham's (1983) genetic distance is


                       __   __
                       \    \
                       /_   /_  [ p1mi     -  p2mi]2
                        m    i                  
       D2     =      --------------------------------------
                         __              __
                         \               \
                      2  /_   [  1   -   /_  p1mi    p2mi ]
                          m               i 

where the notation is as before and D2 is the quantity that is expected to rise linearly with cumulated genetic drift.

Having computed one of these genetic distances, one which you feel is appropriate to the biology of the situation, you can use it as the input to the programs FITCH, KITSCH or NEIGHBOR. Keep in mind that the statistical model in those programs implicitly assumes that the distances in the input table have independent errors. For any measure of genetic distance this will not be true, as bursts of random genetic drift, or sampling events in drawing the sample of individuals from each population, cause fluctuations of gene frequency that affect many distances simultaneously. While this is not expected to bias the estimate of the phylogeny, it does mean that the weighing of evidence from all the different distances in the table will not be done with maximal efficiency. One issue is which value of the P (Power) parameter should be used. This depends on how the variance of a distance rises with its expectation. For Cavalli-Sforza's chord distance, and for the Reynolds et. al. distance it can be shown that the variance of the distance will be proportional to the square of its expectation; this suggests a value of 2 for P, which the default value for FITCH and KITSCH (there is no P option in NEIGHBOR).

If you think that the pure genetic drift model is appropriate, and are thus tempted to use the Cavalli-Sforza or Reynolds et. al. distances, you might consider using the maximum likelihood program CONTML instead. It will correctly weigh the evidence in that case. Like those genetic distances, it uses approximations that break down as loci start to drift all the way to fixation. Although Nei's distance will not break down in that case, it makes other assumptions about equality of substitution rates at all loci and constancy of population sizes.

The most important thing to remember is that genetic distance is not an abstract, idealized measure of "differentness". It is an estimate of a parameter (time or cumulated inverse effective population size) of the model which is thought to have generated the differences we see. As an estimate, it has statistical properties that can be assessed, and we should never have to choose between genetic distances based on their aesthetic properties, or on the personal prestige of their originators. Considering them as estimates focuses us on the questions which genetic distances are intended to answer, for if there are none there is no reason to compute them. For further perspective on genetic distances, I recommend my own paper evaluating Reynolds, Weir, and Cockerham (1983), and the material in Nei's book (Nei, 1987).

INPUT FORMAT

The input to this program is standard and is as described in the Gene Frequencies and Continuous Characters Programs documentation file above. It consists of the number of populations (or species), the number of loci, and after that a line containing the numbers of alleles at each of the loci. Then the gene frequencies follow in standard format.

The options are selected using a menu:


Genetic Distance Matrix program, version 3.6a3

Settings for this run:
  A   Input file contains all alleles at each locus?  One omitted at each locus
  N                        Use Nei genetic distance?  Yes
  C                Use Cavalli-Sforza chord measure?  No
  R                   Use Reynolds genetic distance?  No
  L                         Form of distance matrix?  Square
  M                      Analyze multiple data sets?  No
  0              Terminal type (IBM PC, ANSI, none)?  (none)
  1            Print indications of progress of run?  Yes

  Y to accept these or type the letter for one to change

The A (All alleles) option is described in the Gene Frequencies and Continuous Characters Programs documentation file. As with CONTML, it is the signal that all alleles are represented in the gene frequency input, without one being left out per locus. C, N, and R are the signals to use the Cavalli-Sforza, Nei, or Reynolds et. al. genetic distances respectively. The Nei distance is the default, and it will be computed if none of these options is explicitly invoked. The L option is the signal that the distance matrix is to be written out in Lower triangular form. The M option is the usual Multiple Data Sets option, useful for doing bootstrap analyses with the distance matrix programs. It allows multiple data sets, but does not allow multiple sets of weights (since there is no provision for weighting in this program).

OUTPUT FORMAT

The output file simply contains on its first line the number of species (or populations). Each species (or population) starts a new line, with its name printed out first, and then and there are up to nine genetic distances printed on each line, in the standard format used as input by the distance matrix programs. The output, in its default form, is ready to be used in the distance matrix programs.

CONSTANTS

The constants available to be changed by the user if the program is recompiled are "namelength" the length of a species name, set to 10 in the distribution and "epsilon" which defines a small quantity that is used when checking whether allele frequencies at a locus sum to more than one: if all alleles are input (option A) and the sum differs from 1 by more than epsilon, or if not all alleles are input and the sum is greater than 1 by more then epsilon, the program will see this as an error and stop. You may find this causes difficulties if you gene frequencies have been rounded. I have tried to keep epsilon from being too small to prevent such problems.

RUN TIMES

The program is quite fast and the user should effectively never be limited by the amount of time it takes. All that the program has to do is read in the gene frequency data and then, for each pair of species, compute a genetic distance formula for each pair of species. This should require an amount of effort proportional to the total number of alleles over loci, and to the square of the number of populations.

FUTURE OF THIS PROGRAM

The main change that will be made to this program in the future is to add provisions for taking into account the sample size for each population. The genetic distance formulas have been modified by their inventors to correct for the inaccuracy of the estimate of the genetic distances, which on the whole should artificially increase the distance between populations by a small amount dependent on the sample sizes. The main difficulty with doing this is that I have not yet settled on a format for putting the sample size in the input data along with the gene frequency data for a species or population.

I may also include other distance measures, but only if I think their use is justified. There are many very arbitrary genetic distances, and I am reluctant to include most of them.


TEST DATA SET

    5    10
2 2 2 2 2 2 2 2 2 2
European   0.2868 0.5684 0.4422 0.4286 0.3828 0.7285 0.6386 0.0205
0.8055 0.5043
African    0.1356 0.4840 0.0602 0.0397 0.5977 0.9675 0.9511 0.0600
0.7582 0.6207
Chinese    0.1628 0.5958 0.7298 1.0000 0.3811 0.7986 0.7782 0.0726
0.7482 0.7334
American   0.0144 0.6990 0.3280 0.7421 0.6606 0.8603 0.7924 0.0000
0.8086 0.8636
Australian 0.1211 0.2274 0.5821 1.0000 0.2018 0.9000 0.9837 0.0396
0.9097 0.2976


TEST SET OUTPUT

    5
European    0.0000  0.0780  0.0807  0.0668  0.1030
African     0.0780  0.0000  0.2347  0.1050  0.2273
Chinese     0.0807  0.2347  0.0000  0.0539  0.0633
American    0.0668  0.1050  0.0539  0.0000  0.1348
Australian  0.1030  0.2273  0.0633  0.1348  0.0000

./arbsrc_9167/GDE/PHYLIP/doc/kitsch.html0000644012664100000130000003421111213220011017443 0ustar arb_buildcoders kitsch

version 3.6

KITSCH -- Fitch-Margoliash and Least Squares Methods
with Evolutionary Clock

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program carries out the Fitch-Margoliash and Least Squares methods, plus a variety of others of the same family, with the assumption that all tip species are contemporaneous, and that there is an evolutionary clock (in effect, a molecular clock). This means that branches of the tree cannot be of arbitrary length, but are constrained so that the total length from the root of the tree to any species is the same. The quantity minimized is the same weighted sum of squares described in the Distance Matrix Methods documentation file.

The options are set using the menu:


Fitch-Margoliash method with contemporary tips, version 3.6a3

Settings for this run:
  D      Method (F-M, Minimum Evolution)?  Fitch-Margoliash
  U                 Search for best tree?  Yes
  P                                Power?  2.00000
  -      Negative branch lengths allowed?  No
  L         Lower-triangular data matrix?  No
  R         Upper-triangular data matrix?  No
  S                        Subreplicates?  No
  J     Randomize input order of species?  No. Use input order
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

Most of the options are described in the Distance Matrix Programs documentation file.

The D (methods) option allows choice between the Fitch-Margoliash criterion and the Minimum Evolution method (Kidd and Sgaramella-Zonta, 1971; Rzhetsky and Nei, 1993). Minimum Evolution (not to be confused with parsimony) uses the Fitch-Margoliash criterion to fit branch lengths to each topology, but then chooses topologies based on their total branch length (rather than the goodness of fit sum of squares). There is no constraint on negative branch lengths in the Minimum Evolution method; it sometimes gives rather strange results, as it can like solutions that have large negative branch lengths, as these reduce the total sum of branch lengths!

Note that the User Trees (used by option U) must be rooted trees (with a bifurcation at their base). If you take a user tree from FITCH and try to evaluate it in KITSCH, it must first be rooted. This can be done using RETREE. Of the options available in FITCH, the O option is not available, as KITSCH estimates a rooted tree which cannot be rerooted, and the G option is not available, as global rearrangement is the default condition anyway. It is also not possible to specify that specific branch lengths of a user tree be retained when it is read into KITSCH, unless all of them are present. In that case the tree should be properly clocklike. Readers who wonder why we have not provided the feature of holding some of the user tree branch lengths constant while iterating others are invited to tell us how they would do it. As you consider particular possible patterns of branch lengths you will find that the matter is not at all simple.

If you use a User Tree (option U) with branch lengths with KITSCH, and the tree is not clocklike, when two branch lengths give conflicting positions for a node, KITSCH will use the first of them and ignore the other. Thus the user tree:

     ((A:0.1,B:0.2):0.4,(C:0.06,D:0.01):43);

is nonclocklike, so it will be treated as if it were actually the tree:

     ((A:0.1,B:0.1):0.4,(C:0.06,D:0.06):44);

The input is exactly the same as described in the Distance Matrix Methods documentation file. The output is a rooted tree, together with the sum of squares, the number of tree topologies searched, and, if the power P is at its default value of 2.0, the Average Percent Standard Deviation is also supplied. The lengths of the branches of the tree are given in a table, that also shows for each branch the time at the upper end of the branch. "Time" here really means cumulative branch length from the root, going upwards (on the printed diagram, rightwards). For each branch, the "time" given is for the node at the right (upper) end of the branch. It is important to realize that the branch lengths are not exactly proportional to the lengths drawn on the printed tree diagram! In particular, short branches are exaggerated in the length on that diagram so that they are more visible.

The method may be considered as providing an estimate of the phylogeny. Alternatively, it can be considered as a phenetic clustering of the tip species. This method minimizes an objective function, the sum of squares, not only setting the levels of the clusters so as to do so, but rearranging the hierarchy of clusters to try to find alternative clusterings that give a lower overall sum of squares. When the power option P is set to a value of P = 0.0, so that we are minimizing a simple sum of squares of the differences between the observed distance matrix and the expected one, the method is very close in spirit to Unweighted Pair Group Arithmetic Average Clustering (UPGMA), also called Average-Linkage Clustering. If the topology of the tree is fixed and there turn out to be no branches of negative length, its result should be the same as UPGMA in that case. But since it tries alternative topologies and (unless the N option is set) it combines nodes that otherwise could result in a reversal of levels, it is possible for it to give a different, and better, result than simple sequential clustering. Of course UPGMA itself is available as an option in program NEIGHBOR.

The U (User Tree) option requires a bifurcating tree, unlike FITCH, which requires an unrooted tree with a trifurcation at its base. Thus the tree shown below would be written:

     ((D,E),(C,(A,B)));

If a tree with a trifurcation at the base is by mistake fed into the U option of KITSCH then some of its species (the entire rightmost furc, in fact) will be ignored and too small a tree read in. This should result in an error message and the program should stop. It is important to understand the difference between the User Tree formats for KITSCH and FITCH. You may want to use RETREE to convert a user tree that is suitable for FITCH into one suitable for KITSCH or vice versa.

An important use of this method will be to do a formal statistical test of the evolutionary clock hypothesis. This can be done by comparing the sums of squares achieved by FITCH and by KITSCH, BUT SOME CAVEATS ARE NECESSARY. First, the assumption is that the observed distances are truly independent, that no original data item contributes to more than one of them (not counting the two reciprocal distances from i to j and from j to i). THIS WILL NOT HOLD IF THE DISTANCES ARE OBTAINED FROM GENE FREQUENCIES, FROM MORPHOLOGICAL CHARACTERS, OR FROM MOLECULAR SEQUENCES. It may be invalid even for immunological distances and levels of DNA hybridization, provided that the use of common standard for all members of a row or column allows an error in the measurement of the standard to affect all these distances simultaneously. It will also be invalid if the numbers have been collected in experimental groups, each measured by taking differences from a common standard which itself is measured with error. Only if the numbers in different cells are measured from independent standards can we depend on the statistical model. The details of the test and the assumptions are discussed in my review paper on distance methods (Felsenstein, 1984a). For further and sometimes irrelevant controversy on these matters see the papers by Farris (1981, 1985, 1986) and myself (Felsenstein, 1986, 1988b).

A second caveat is that the distances must be expected to rise linearly with time, not according to any other curve. Thus it may be necessary to transform the distances to achieve an expected linearity. If the distances have an upper limit beyond which they could not go, this is a signal that linearity may not hold. It is also VERY important to choose the power P at a value that results in the standard deviation of the variation of the observed from the expected distances being the P/2-th power of the expected distance.

To carry out the test, fit the same data with both FITCH and KITSCH, and record the two sums of squares. If the topology has turned out the same, we have N = n(n-1)/2 distances which have been fit with 2n-3 parameters in FITCH, and with n-1 parameters in KITSCH. Then the difference between S(K) and S(F) has d1 = n-2 degrees of freedom. It is statistically independent of the value of S(F), which has d2 = N-(2n-3) degrees of freedom. The ratio of mean squares

      [S(K)-S(F)]/d1
     ----------------
          S(F)/d2

should, under the evolutionary clock, have an F distribution with n-2 and N-(2n-3) degrees of freedom respectively. The test desired is that the F ratio is in the upper tail (say the upper 5%) of its distribution. If the S (subreplication) option is in effect, the above degrees of freedom must be modified by noting that N is not n(n-1)/2 but is the sum of the numbers of replicates of all cells in the distance matrix read in, which may be either square or triangular. A further explanation of the statistical test of the clock is given in a paper of mine (Felsenstein, 1986).

The program uses a similar tree construction method to the other programs in the package and, like them, is not guaranteed to give the best-fitting tree. The assignment of the branch lengths for a given topology is a least squares fit, subject to the constraints against negative branch lengths, and should not be able to be improved upon. KITSCH runs more quickly than FITCH.

The constant available for modification at the beginning of the program is "epsilon", which defines a small quantity needed in some of the calculations. There is no feature saving multiply trees tied for best, because exact ties are not expected, except in cases where it should be obvious from the tree printed out what is the nature of the tie (as when an interior branch is of length zero).


TEST DATA SET

    7
Bovine      0.0000  1.6866  1.7198  1.6606  1.5243  1.6043  1.5905
Mouse       1.6866  0.0000  1.5232  1.4841  1.4465  1.4389  1.4629
Gibbon      1.7198  1.5232  0.0000  0.7115  0.5958  0.6179  0.5583
Orang       1.6606  1.4841  0.7115  0.0000  0.4631  0.5061  0.4710
Gorilla     1.5243  1.4465  0.5958  0.4631  0.0000  0.3484  0.3083
Chimp       1.6043  1.4389  0.6179  0.5061  0.3484  0.0000  0.2692
Human       1.5905  1.4629  0.5583  0.4710  0.3083  0.2692  0.0000


TEST SET OUTPUT FILE (with all numerical options on)


   7 Populations

Fitch-Margoliash method with contemporary tips, version 3.6a3

                  __ __             2
                  \  \   (Obs - Exp)
Sum of squares =  /_ /_  ------------
                                2
                   i  j      Obs

negative branch lengths not allowed


Name                       Distances
----                       ---------

Bovine        0.00000   1.68660   1.71980   1.66060   1.52430   1.60430
              1.59050
Mouse         1.68660   0.00000   1.52320   1.48410   1.44650   1.43890
              1.46290
Gibbon        1.71980   1.52320   0.00000   0.71150   0.59580   0.61790
              0.55830
Orang         1.66060   1.48410   0.71150   0.00000   0.46310   0.50610
              0.47100
Gorilla       1.52430   1.44650   0.59580   0.46310   0.00000   0.34840
              0.30830
Chimp         1.60430   1.43890   0.61790   0.50610   0.34840   0.00000
              0.26920
Human         1.59050   1.46290   0.55830   0.47100   0.30830   0.26920
              0.00000


                                           +-------Human     
                                         +-6 
                                    +----5 +-------Chimp     
                                    !    ! 
                                +---4    +---------Gorilla   
                                !   ! 
       +------------------------3   +--------------Orang     
       !                        ! 
  +----2                        +------------------Gibbon    
  !    ! 
--1    +-------------------------------------------Mouse     
  ! 
  +------------------------------------------------Bovine    


Sum of squares =      0.107

Average percent standard deviation =   5.16213

From     To            Length          Height
----     --            ------          ------

   6   Human           0.13460         0.81285
   5      6            0.02836         0.67825
   6   Chimp           0.13460         0.81285
   4      5            0.07638         0.64990
   5   Gorilla         0.16296         0.81285
   3      4            0.06639         0.57352
   4   Orang           0.23933         0.81285
   2      3            0.42923         0.50713
   3   Gibbon          0.30572         0.81285
   1      2            0.07790         0.07790
   2   Mouse           0.73495         0.81285
   1   Bovine          0.81285         0.81285

./arbsrc_9167/GDE/PHYLIP/doc/main.html0000644012664100000130000072200211213220011017104 0ustar arb_buildcoders main

PHYLIP

Phylogeny Inference Package

PHYLIP Logo

Version 3.6(alpha3)

July, 2002

by Joseph Felsenstein


Department of Genome Sciences
University of Washington
Box 357730
Seattle, WA   98195-7730
USA

E-mail address: joe@gs.washington.edu


Contents of this document


Contents of this document
A Brief Description of the Programs
Copyright Notice for PHYLIP
The Documentation Files and How to Read Them
What The Programs Do
Running the Programs
      A word about input files
      Running the programs on a Windows machine
      Running the programs on a Macintosh
      Running the programs on a Unix system
      Running the programs in MSDOS
      Running the programs in background or under control of a command file
Preparing Input Files
      Input and output files
      Data file format
The Menu
The Output File
The Tree File
The Options and How To Invoke Them
      Common options in the menu
        The U (User tree) option
        The G (Global) option
        The J (Jumble) option
        The O (Outgroup) option
        The T (Threshold) option
        The M (Multiple data sets) option
        The W (Weights) option
        The option to write out the trees into a tree file
        The (0) terminal type option
The Algorithm for Constructing Trees
      Local Rearrangements
      Global Rearrangements
      Multiple Jumbles
      Saving multiple tied trees
      Strategy for Finding the Best Tree
A Warning on Interpreting Results
Relative Speed of Different Programs and Machines
      Relative speed of the different programs
      Speed with different numbers of species
      Relative speed of different machines
General Comments on Adapting the Package to Different Computer Systems
Compiling the programs
      Unix and Linux
      Macintosh PowerMacs
           Compiling with Metrowerks Codewarrior
      On Windows systems
           Compiling with Microsoft Visual C++
           Compiling with Borland C++
           Compiling with Metrowerks Codewarrior for Windows
           Compiling with Cygnus Gnu C++
      VMS VAX systems
      Parallel computers
      Other computer systems
Frequently Asked Questions
      How to make it do various things
      Background information needed:
      Questions about distribution and citation:
      Questions about documentation
      Additional Frequently Asked Questions, or: "Why didn't it occur to you to ...
      (Fortunately) obsolete questions
New Features in This Version
Coming Attractions, Future Plans
Endorsements
      From the pages of Cladistics
      ... and in the pages of other journals:
References for the Documentation Files
Credits
Other Phylogeny Programs Available Elsewhere
      PAUP*
      MacClade
      MEGA
      MOLPHY
      PAML
      TREE-PUZZLE
      DAMBE
      Hennig86
      RnA
      NONA
      TNT
How You Can Help Me
In Case of Trouble


A Brief Description of the Programs

PHYLIP, the Phylogeny Inference Package, is a package of programs for inferring phylogenies (evolutionary trees). It has been distributed since 1980, and has over 10,000 registered users, making it the most widely distributed package of phylogeny programs. It is available free, from its web site:

PHYLIP is available as source code in C, and also as executables for some common computer systems. It can infer phylogenies by parsimony, compatibility, distance matrix methods, and likelihood. It can also compute consensus trees, compute distances between trees, draw trees, resample data sets by bootstrapping or jackknifing, edit trees, and compute distance matrices. It can handle data that are nucleotide sequences, protein sequences, gene frequencies, restriction sites, restriction fragments, distances, discrete characters, and continuous characters.



Copyright Notice for PHYLIP

The following copyright notice is intended to cover all source code, all documentation, and all executable programs of the PHYLIP package.

© Copyright 1980-2002. University of Washington and Joseph Felsenstein. All rights reserved. Permission is granted to reproduce, perform, and modify these programs and documentation files. Permission is granted to distribute or provide access to these programs provided that this copyright notice is not removed, the programs are not integrated with or called by any product or service that generates revenue, and that your distribution of these materials program are free. Any modified versions of these materials that are distributed or accessible shall indicate that they are based on these program. Institutions of higher education are granted permission to distribute this material to their students and staff for a fee to recover distribution costs. Permission requests for any other distribution of this program should be directed to license@u.washington.edu.



The Documentation Files and How to Read Them

PHYLIP comes with an extensive set of documentation files. These include the main documentation file (this one), which you should read fairly completely. In addition there are files for groups of programs, including ones for the molecular sequence programs, the distance matrix programs, the gene frequency and continuous characters programs, the discrete characters programs, and the tree drawing programs. Finally, each program has its own documentation file. References for the documentation files are all gathered together in this main documentation file. A good strategy is to:

  1. Read this main documentation file.
  2. Tentatively decide which programs are of interest to you.
  3. Read the documentation files for the groups of programs that contain those.
  4. Read the documentation files for those individual programs.


What The Programs Do

Here is a short description of each of the programs. For more detailed discussion you should definitely read the documentation file for the individual program and the documentation file for the group of programs it is in. In this list the name of each program is a link which will take you to the documentation file for that program. Note that there is no program in the PHYLIP package called PHYLIP.

PROTPARS
Estimates phylogenies from protein sequences (input using the standard one-letter code for amino acids) using the parsimony method, in a variant which counts only those nucleotide changes that change the amino acid, on the assumption that silent changes are more easily accomplished.
DNAPARS
Estimates phylogenies by the parsimony method using nucleic acid sequences. Allows use the full IUB ambiguity codes, and estimates ancestral nucleotide states. Gaps treated as a fifth nucleotide state. Can use 0/1 weights, reconstruct ancestral states, and infer branch lengths.
DNAMOVE
Interactive construction of phylogenies from nucleic acid sequences, with their evaluation by parsimony and compatibility and the display of reconstructed ancestral bases. This can be used to find parsimony or compatibility estimates by hand.
DNAPENNY
Finds all most parsimonious phylogenies for nucleic acid sequences by branch-and-bound search. This may not be practical (depending on the data) for more than 15 species or so.
DNACOMP
Estimates phylogenies from nucleic acid sequence data using the compatibility criterion, which searches for the largest number of sites which could have all states (nucleotides) uniquely evolved on the same tree. Compatibility is particularly appropriate when sites vary greatly in their rates of evolution, but we do not know in advance which are the less reliable ones.
DNAINVAR
For nucleic acid sequence data on four species, computes Lake's and Cavender's phylogenetic invariants, which test alternative tree topologies. The program also tabulates the frequencies of occurrence of the different nucleotide patterns. Lake's invariants are the method which he calls "evolutionary parsimony".
DNAML
Estimates phylogenies from nucleotide sequences by maximum likelihood. The model employed allows for unequal expected frequencies of the four nucleotides, for unequal rates of transitions and transversions, and for different (prespecified) rates of change in different categories of sites, with the program inferring which sites have which rates. It also allows different rates of change at known sites.
DNAMLK
Same as DNAML but assumes a molecular clock. The use of the two programs together permits a likelihood ratio test of the molecular clock hypothesis to be made.
PROML
Estimates phylogenies from protein amino acid sequences by maximum likelihood. The PAM or JTTF models can be employed. The program can allow for different (prespecified) rates of change in different categories of amino acid positions, with the program inferring which posiitons have which rates. It also allows different rates of change at known sites.
PROMLK
Same as PROML but assumes a molecular clock. The use of the two programs together permits a likelihood ratio test of the molecular clock hypothesis to be made.
DNADIST
Computes four different distances between species from nucleic acid sequences. The distances can then be used in the distance matrix programs. The distances are the Jukes-Cantor formula, one based on Kimura's 2-parameter method, Jin and Nei's distance which allows for rate variation from site to site, and a maximum likelihood method using the model employed in DNAML. The latter method of computing distances can be very slow.
PROTDIST
Computes a distance measure for protein sequences, using maximum likelihood estimates based on the Dayhoff PAM matrix, Kimura's 1983 approximation to it, or a model based on the genetic code plus a constraint on changing to a different category of amino acid. Rate variation from site to site is also allowed. The distances can be used in the distance matrix programs.
RESTDIST
Distances calculated from restriction sites data or restriction fragments data. The restriction sites option is the one to use to also make distances for RAPDs or AFLPs.
RESTML
Estimation of phylogenies by maximum likelihood using restriction sites data (not restriction fragments but presence/absence of individual sites). It employs the Jukes-Cantor symmetrical model of nucleotide change, which does not allow for differences of rate between transitions and transversions. This program is very slow.
SEQBOOT
Reads in a data set, and produces multiple data sets from it by bootstrap resampling. Since most programs in the current version of the package allow processing of multiple data sets, this can be used together with the consensus tree program CONSENSE to do bootstrap (or delete-half-jackknife) analyses with most of the methods in this package. This program also allows the Archie/Faith technique of permutation of species within characters. It can also rewrite a data set to convert it from between the PHYLIP Interleaved and Sequential forms, and into a preliminary version of a new XML sequence alignment format which is under development.
FITCH
Estimates phylogenies from distance matrix data under the "additive tree model" according to which the distances are expected to equal the sums of branch lengths between the species. Uses the Fitch-Margoliash criterion and some related least squares criteria. Does not assume an evolutionary clock. This program will be useful with distances computed from molecular sequences, restriction sites or fragments distances, with DNA hybridization measurements, and with genetic distances computed from gene frequencies.
KITSCH
Estimates phylogenies from distance matrix data under the "ultrametric" model which is the same as the additive tree model except that an evolutionary clock is assumed. The Fitch-Margoliash criterion and other least squares criteria are assumed. This program will be useful with distances computed from molecular sequences, restriction sites or fragments distances, with distances from DNA hybridization measurements, and with genetic distances computed from gene frequencies.
NEIGHBOR
An implementation by Mary Kuhner and John Yamato of Saitou and Nei's "Neighbor Joining Method," and of the UPGMA (Average Linkage clustering) method. Neighbor Joining is a distance matrix method producing an unrooted tree without the assumption of a clock. UPGMA does assume a clock. The branch lengths are not optimized by the least squares criterion but the methods are very fast and thus can handle much larger data sets.
CONTML
Estimates phylogenies from gene frequency data by maximum likelihood under a model in which all divergence is due to genetic drift in the absence of new mutations. Does not assume a molecular clock. An alternative method of analyzing this data is to compute Nei's genetic distance and use one of the distance matrix programs. This program can also do maximum likelihoodn analysis of continuous charactersn that evolve by a Brownian Motion model, but it assumes that the characters evolve at equal rates and in an uncorrelated fashion, so that it does not take into account the usual correlations of characters.
GENDIST
Computes one of three different genetic distance formulas from gene frequency data. The formulas are Nei's genetic distance, the Cavalli-Sforza chord measure, and the genetic distance of Reynolds et. al. The former is appropriate for data in which new mutations occur in an infinite isoalleles neutral mutation model, the latter two for a model without mutation and with pure genetic drift. The distances are written to a file in a format appropriate for input to the distance matrix programs.
CONTRAST
Reads a tree from a tree file, and a data set with continuous characters data, and produces the independent contrasts for those characters, for use in any multivariate statistics package. Will also produce covariances, regressions and correlations between characters for those contrasts. Can also correct for within-species sampling variation when individual phenotypes are available within a population.
PARS
Multistate discrete-characters parsimony method. Up to 8 states (as well as "?") are allowed. Cannot do Camin-Sokal or Dollo Parsimony. Can reconstruct ancestral states, use character weights, and infer branch lengths.
MIX
Estimates phylogenies by some parsimony methods for discrete character data with two states (0 and 1). Allows use of the Wagner parsimony method, the Camin-Sokal parsimony method, or arbitrary mixtures of these. Also reconstructs ancestral states and allows weighting of characters (does not infer branch lengths).
MOVE
Interactive construction of phylogenies from discrete character data with two states (0 and 1). Evaluates parsimony and compatibility criteria for those phylogenies and displays reconstructed states throughout the tree. This can be used to find parsimony or compatibility estimates by hand.
PENNY
Finds all most parsimonious phylogenies for discrete-character data with two states, for the Wagner, Camin-Sokal, and mixed parsimony criteria using the branch-and-bound method of exact search. May be impractical (depending on the data) for more than 10-11 species.
DOLLOP
Estimates phylogenies by the Dollo or polymorphism parsimony criteria for discrete character data with two states (0 and 1). Also reconstructs ancestral states and allows weighting of characters. Dollo parsimony is particularly appropriate for restriction sites data; with ancestor states specified as unknown it may be appropriate for restriction fragments data.
DOLMOVE
Interactive construction of phylogenies from discrete character data with two states (0 and 1) using the Dollo or polymorphism parsimony criteria. Evaluates parsimony and compatibility criteria for those phylogenies and displays reconstructed states throughout the tree. This can be used to find parsimony or compatibility estimates by hand.
DOLPENNY
Finds all most parsimonious phylogenies for discrete-character data with two states, for the Dollo or polymorphism parsimony criteria using the branch-and-bound method of exact search. May be impractical (depending on the data) for more than 10-11 species.
CLIQUE
Finds the largest clique of mutually compatible characters, and the phylogeny which they recommend, for discrete character data with two states. The largest clique (or all cliques within a given size range of the largest one) are found by a very fast branch and bound search method. The method does not allow for missing data. For such cases the T (Threshold) option of PARS or MIX may be a useful alternative. Compatibility methods are particular useful when some characters are of poor quality and the rest of good quality, but when it is not known in advance which ones are which.
FACTOR
Takes discrete multistate data with character state trees and produces the corresponding data set with two states (0 and 1). Written by Christopher Meacham. This program was formerly used to accomodate multistate characters in MIX, but this is less necessary now that PARS is available.
DRAWGRAM
Plots rooted phylogenies, cladograms, and phenograms in a wide variety of user-controllable formats. The program is interactive and allows previewing of the tree on PC or Macintosh graphics screens, and Tektronix or Digital graphics terminals. Final output can be to a file formatted for one of the drawing programs, on a laser printer (such as Postscript or PCL-compatible printers), on graphics screens or terminals, on pen plotters (Hewlett-Packard or Houston Instruments) or on dot matrix printers capable of graphics (Epson, Okidata, Imagewriter, or Toshiba).
DRAWTREE
Similar to DRAWGRAM but plots unrooted phylogenies.
TREEDIST
Computes the Robinson-Foulds symmetric difference distance between trees, which allows for differences in tree topology (but does not use branch lengths).
CONSENSE
Computes consensus trees by the majority-rule consensus tree method, which also allows one to easily find the strict consensus tree. Is not able to compute the Adams consensus tree. Trees are input in a tree file in standard nested-parenthesis notation, which is produced by many of the tree estimation programs in the package. This program can be used as the final step in doing bootstrap analyses for many of the methods in the package.
RETREE
Reads in a tree (with branch lengths if necessary) and allows you to reroot the tree, to flip branches, to change species names and branch lengths, and then write the result out. Can be used to convert between rooted and unrooted trees, and to write the tree into a preliminary version of a new XML tree file format which is under development.


Running the Programs

This section assumes that you have obtained PHYLIP as compiled executables (for Windows, Macintosh, or DOS), or have obtained the source code and compiled it yourself (for Linux, Unix, or OpenVMS). For machines for which compiled executables are available, there will usually be no need for you to have a compiler or compile the programs yourself. This section describes how to run the programs. Later in this document we will discuss how to download and install PHYLIP (in case you are somehow reading this without yet having done that). Normally you will only read this document after downloading and installing PHYLIP.

A word about input files.

For all of these types of machines, it is important to have the input files for the programs (typically data files) prepared in advance. They can be prepared in any editor, but it is important that they be saved in Text Only ("flat ASCII") format, not in the format that word processors such as Microsoft Word want to write. It is up to you to read the PHYLIP documentation files which describe the files formats that are needed. There is a partial description in the next section of this document. The input files can also be obtained by running a program that produces output files in PHYLIP format (some of these programs do, and so do programs by others such as sequence alignment programs such as ClustalW and sequence format conversion programs such as Readseq). There is not any input file editor available in any program in PHYLIP (you should not simply start running one of the programs and then expect to click a mouse somewhere to start creating a data file).

When they start running, the programs look first for input files with particular names (such as infile, treefile, intree, or fontfile). Exactly which file names they look for varies a bit from program to program, and you should read the documentation file for the particular program to find out. If you have files with those names the programs will use them and not ask you for the file name. If they do not find files of those names, the programs will say that they cannot find a file of that name, and ask you to type in the file name. For example, if DnaML looks for the file infile and does not find one of that name, it prints the message:

dnaml: can't find input file "infile"
Please enter a new file name>

This does not mean that an error has occurred. All you need to do is to type in the name of the file.

The program looks for the input files in the same directory that the program is in (a directory is the same thing as a "folder"). In Windows, Linux, Unix, or MSDOS, if you are asked for the file name you can type in the path to the file, as part of the name (thus, if the file is in the directory above the current one, you can type in a file name such as ../myfile.dna). If you do not know what a "directory" is, or what "above" means, then you are a member of the new generation who just clicks the mouse and assumes that a list of file names will magically appear. (Typically members of this generation have no idea where the files are on their system, and accumulate enormous amounts of unnecessary clutter in their file systems.) In this case you should ask someone to explain directories to you.

Running the programs on a Windows machine.

Double-click on the icon for the program. A window should open with a menu in it. Further dialog with the program occurs by typing on the keyboard in response to what you see in the window. The programs can be interrupted either by typing Control-C (which means to press down on the Ctrl key while typing the letter C), or by using the mouse to open the File menu in the upper-left corner of the program's window area and then select Quit. Other than this, most PHYLIP programs make no use of the mouse. The tree-drawing programs Drawtree and Drawgram do allow use of the mouse to select some options.

Running the programs on a Macintosh.

Double-click on the icon for the program. A window should open. Further dialog with the program occurs by typing on the keyboard in response to what you see in the window. The programs can be interrupted by using the mouse to open the File menu in the upper-left corner of the program's window area and then select Quit. Alternatively, you can use the Command-Q key combination.

When you use Quit, the program will ask you whether you want to save a file whose name is the program name (often followed by .out -- for example, if you are using DNAML it will ask you if you want to save file Dnaml.out. This file is simply a record of everything that displayed on the program window, and you usually will not want to save it. Pressing the Enter key or selecting the Do Not Save button with the mouse will keep this from being saved.

If you encounter memory limitations on a Macintosh, and determine that this is not due to a problem with the format of the input file, as it often will be, you may be able to solve it by raising the limits of the stack and heap sizes of the program. To do this click on the program and then select Get Info from the Finder File menu. This will open a window which can be made to show the memory limits of the program. These can be changed by selecting them and typing in larger numbers. This may relieve nagging memory problems. If it does not, consult your local documentation and suspect problems with your input file format.

Running the programs on a Unix system.

Type the name of the program in lower-case letters (such as dnaml). To interrupt the program while it is running, type Control-C (which means to press down on the Ctrl key while typing the letter C).

Running the programs in MSDOS.

Type the name of the program in lower-case letters (such as dnaml). To interrupt the program while it is running, type Control-C (which means to press down on the Ctrl key while typing the letter C).

Running the programs in background or under control of a command file

In running the programs, you may sometimes want to put them in background so you can proceed with other work. On systems with a windowing environment they can be put in their own window, and commands like the Unix and Linux nice command used to make them have lower priority so that they do not interfere with interactive applications in other windows. This part of the discussion will assume either a Windows system or a Unix or Linux system. I will note when the commands work on one of these systems but not the other. Running jobs in background on Macintosh systems is an arcane art into whose mysteries I have not been initiated (or perhaps no one has been initiated).

If there is no windowing environment, on a Unix or Linux system you will want to use an ampersand (&) after the command file name when invoking it to put the job in the background. You will have to put all the responses to the interactive menu of the program into a file and tell the background job to take its input from that file. On Windows systems there is no & or nice command but input and output redirection and command files work fine, with the sole difference that the a file of commands must have a name ending in .BAT, such as FOOFILE.BAT.

For example: suppose you want to run DNAPARS in a background, taking its input data from a file called sequences.dat, putting its interactive output to file called screenout, and using a file called input as the place to store the interactive input. The file input need only contain two lines:

sequences.dat
Y

which is what you would have typed to run the program interactively, in response to the program's request for an input file name if it did not find a file named infile, in in response the the menu.

To run the program in background, in Unix or Linux you would simply give the command:

dnapars < input > screenout &

These run the program with input responses coming from input and interactive output being put into file screenout. The usual output file and tree file will also be created by this run (keep that in mind as if you run any other PHYLIP program from the same directory while this one is running in background you may overwrite the output file from one program with that from the other!).

If you wanted to give the program lower priority, so that it would not interfere with other work, and you have Berkeley Unix type job control facilities in your Unix or Linux (and you usually do), you can use the nice command:

nice +10 dnapars < input > screenout &

which lowers the priority of the run. To also time the run and put the timing at the end of screenout, you can do this:

nice +10 ( time dnapars < input ) >& screenout &

which I will not attempt to explain.

On Unix or Linux systems you may also want to explore putting the interactive output into the null file /dev/null so as to not be bothered with it (but then you cannot look at it to see why something went wrong). If you have problems with creating output files that are too large, you may want to explore carefully the turning off of options in the programs you run.

If you are doing several runs in one, as for example when you do a bootstrap analysis using SEQBOOT, DNAPARS (say), and CONSENSE, you can use an editor to create a "command file" with these commands:

seqboot < input1 > screenout
mv outfile infile
dnapars < input2 >> screenout
mv outtree intree
consense < input3 >> screenout

This is the Unix or Linux version -- in the MSDOS version, the renaming of files and the appending of output to the file screenout is handled differently.

On Unix or Linux the command file might be named something like foofile, and on Windows systems might be named foofile.bat.

On Unix or Linux the command file must be given execute permission by using the command chmod +x foofile followed by the command rehash. The job that foofile describes can be run in background on Unix or Linux by giving the command

foofile &

On Windows systems it can be run by clicking on the icon of the command file. Its icon will have a little gear symbol.

Note that you must also have the interactive input commands for SEQBOOT (including the random number seed), DNAPARS, and CONSENSE in the separate files input1, input2, and input3. Note that when PHYLIP programs attempt to open a new output file (such as outfile, outtree, or plotfile, if they see a file of that name already in existence they will ask you if you want to overwrite it, and offer alternatives including writing to another file, appending information to that file, or quitting the program without writing to the file. This means that in writing batch files it is important to know whether there will be a prompt of this sort. You must know in advance whether the file will exist. You may want to put in your batch file a command that tests for the existence of a pre-existing output file and if so, removes it. You might even want to put in a command that creates a file of that name, so that you can be sure it is there! Either way, you will then know whether to put into your file of keyboard responses the proper response to the inquiry about overwriting that output file.


Preparing Input Files

The input files for PHYLIP programs must be prepared separately - there is no data editor within PHYLIP. You can use a word processor (or text editor) to prepare them yourself, or you can use a program that produces a PHYLIP-format output. Sequence alignment programs such as ClustalW commonly have an option to produce PHYLIP files as output, and some other phylogeny programs, such as MacClade and TreeView, are capable of producing a PHYLIP-format file.

The format of the input files is discussed below, and you should also read the other PHYLIP documentation relevant to the particular type of data that you are using, and the particular programs you want to run, as there will be more details there.

It is very important that the input files be in "Text Only" or "flat ASCII" format. This means that they contain only printable ASCII/ISO characters, and not any unprintable characters. Many word processors such as Microsoft Word save their files in a format that contains unprintable characters, unless you tell them not to. For Microsoft Word you can select Save As from its File menu, and choose Text Only as the file format. This can also be done in WordPad utility in Windows . Other word processors will have equivalent options. Text editors such as the vi and emacs editors on Unix and Linux, Windows Notepad, the SimpleText editor in MacOS, or the pico editor that comes with the pine mailer program, produce their files in Text Only format and should not cause any trouble.

Input and output files

For most of the PHYLIP programs, information comes from a series of input files, and ends up in a series of output files:

                   -------------------
                  |                   |
infile ---------> |                   |
                  |                   |
intree ---------> |                   | -----------> outfile
                  |                   |
weights --------> |      program      | -----------> outtree
                  |                   |
categories -----> |                   | -----------> plotfile
                  |                   |
fonftile -------> |                   |
                  |                   |
                   -------------------

The programs interact with the user by presenting a menu. Aside from the user's choices from the menu, they read all other input from files. These files have default names. The program will try to find a file of that name - if it does not, it will ask the user to supply the name of that file. Input data such as DNA sequences comes from a file whose default name is infile. If the user supplies a tree, this is in a file whose default name is intree. Values of weights for the characters are in weights, and the tree plotting program need some digitized fonts which are supplied in fontfile (all these are default names).

For example, if DnaML looks for the file infile and does not find one of that name, it prints the message:

dnaml: can't find input file "infile"
Please enter a new file name>

This simply means that it wants you to type in the name of the input file.

Two programs in the package works differently according to an older ("Old Style") system. These are CLIQUE and FACTOR. The information on ancestral states is supplied in the data file whose default name is infile, and for FACTOR the Factors information is written into the output file rather than being put into a separate file called factors. See the documentation page for CLIQUE and the documentation page for FACTOR for information on these differences. By the time of the final 3.6 release we hope to have these last Old Style programs converted to the new system.

Data file format

I have tried to adhere to a rather stereotyped input and output format. For the parsimony, compatibility and maximum likelihood programs, excluding the distance matrix methods, the simplest version of the input data file looks something like this:

   6   13
Archaeopt CGATGCTTAC CGC
HesperorniCGTTACTCGT TGT
BaluchitheTAATGTTAAT TGT
B. virginiTAATGTTCGT TGT
BrontosaurCAAAACCCAT CAT
B.subtilisGGCAGCCAAT CAC

The first line of the input file contains the number of species and the number of characters (in this case sites). These are in free format, separated by blanks. The information for each species follows, starting with a ten-character species name (which can include blanks and some punctuation marks), and continuing with the characters for that species. The name should be on the same line as the first character of the data for that species. (I will use the term "species" for the tips of the trees, recognizing that in some cases these will actually be populations or individual gene sequences).

The name should be ten characters in length, filled out to the full ten characters by blanks if shorter. Any printable ASCII/ISO character is allowed in the name, except for parentheses ("(" and ")"), square brackets ("[" and "]"), colon (":"), semicolon (";") and comma (","). If you forget to extend the names to ten characters in length by blanks, the program will get out of synchronization with the contents of the data file, and an error message will result.

In the discrete-character programs, DNA sequence programs and protein sequence programs the characters are each a single letter or digit, sometimes separated by blanks. In the continuous-characters programs they are real numbers with decimal points, separated by blanks:

Latimeria 2.03 3.457 100.2 0.0 -3.7

The conventions about continuing the data beyond one line per species are different between the molecular sequence programs and the others. The molecular sequence programs can take the data in "aligned" or "interleaved" format, in which we first have some lines giving the first part of each of the sequences, then some lines giving the next part of each, and so on. Thus the sequences might look like this:

    6   39
Archaeopt CGATGCTTAC CGCCGATGCT
HesperorniCGTTACTCGT TGTCGTTACT
BaluchitheTAATGTTAAT TGTTAATGTT
B. virginiTAATGTTCGT TGTTAATGTT
BrontosaurCAAAACCCAT CATCAAAACC
B.subtilisGGCAGCCAAT CACGGCAGCC

TACCGCCGAT GCTTACCGC
CGTTGTCGTT ACTCGTTGT
AATTGTTAAT GTTAATTGT
CGTTGTTAAT GTTCGTTGT
CATCATCAAA ACCCATCAT
AATCACGGCA GCCAATCAC

Note that in these sequences we have a blank every ten sites to make them easier to read: any such blanks are allowed. The blank line which separates the two groups of lines (the ones containing sites 1-20 and ones containing sites 21-39) may or may not be present, but if it is, it should be a line of zero length and not contain any extra blank characters (this is because of a limitation of the current versions of the programs). It is important that the number of sites in each group be the same for all species (i.e., it will not be possible to run the programs successfully if the first species line contains 20 bases, but the first line for the second species contains 21 bases).

Alternatively, an option can be selected in the menu to take the data in "sequential" format, with all of the data for the first species, then all of the characters for the next species, and so on. This is also the way that the discrete characters programs and the gene frequencies and quantitative characters programs want to read the data. They do not allow the interleaved format.

In the sequential format, the character data can run on to a new line at any time (except in the middle of a species name or, in the case of continuous character and distance matrix programs where you cannot go to a new line in the middle of a real number). Thus it is legal to have:

Archaeopt 001100
1101

or even:

Archaeopt
0011001101

though note that the full ten characters of the species name must then be present: in the above case there must be a blank after the "t". In all cases it is possible to put internal blanks between any of the character values, so that

Archaeopt 0011001101 0111011100

is allowed.

Note that you can convert molecular sequence data between the interleaved and the sequential data formats by using the Rewrite option of the D menu item in SEQBOOT.

If you make an error in the format of the input file, the programs can sometimes detect that they have been fed an illegal character or illegal numerical value and issue an error message such as BAD CHARACTER STATE:, often printing out the bad value, and sometimes the number of the species and character in which it occurred. The program will then stop shortly after. One of the things which can lead to a bad value is the omission of something earlier in the file, or the insertion of something superfluous, which cause the reading of the file to get out of synchronization. The program then starts reading things it didn't expect, and concludes that they are in error. So if you see this error message, you may also want to look for the earlier problem that may have led to the program becoming confused about what it is reading.

Some options are described below, but you should also read the documentation for the groups of the programs and for the individual programs.


The Menu

The menu is straightforward. It typically looks like this (this one is for DNAPARS):

DNA parsimony algorithm, version 3.6

Setting for this run:
  U                 Search for best tree?  Yes
  S                        Search option?  More thorough search
  V              Number of trees to save?  100
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  T              Use Threshold parsimony?  No, use ordinary parsimony
  N           Use Transversion parsimony?  No, count all steps
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4          Print out steps in each site  No
  5  Print sequences at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

If you want to accept the default settings (they are shown in the above case) you can simply type Y followed by pressing on the Enter key. If you want to change any of the options, you should type the letter shown to the left of its entry in the menu. For example, to set a threshold type T. Lower-case letters will also work. For many of the options the program will ask for supplementary information, such as the value of the threshold.

Note the Terminal type entry, which you will find on all menus. It allows you to specify which type of terminal your screen is. The options are an IBM PC screen, an ANSI standard terminal, or none. Choosing zero (0) toggles among these three options in cyclical order, changing each time the 0 option is chosen. If one of them is right for your terminal the screen will be cleared before the menu is displayed. If none works, the none option should probably be chosen. The programs should start with a terminal option appropriate for your computer, but if they do not, you can change the terminal type manually. This is particularly important in program RETREE where a tree is displayed on the screen - if the terminal type is set to the wrong value, the tree can look very strange.

The other numbered options control which information the program will display on your screen or on the output files. The option to Print indications of progress of run will show information such as the names of the species as they are successively added to the tree, and the progress of rearrangements. You will usually want to see these as reassurance that the program is running and to help you estimate how long it will take. But if you are running the program "in background" as can be done on multitasking and multiuser systems, and do not have the program running in its own window, you may want to turn this option off so that it does not disturb your use of the computer while the program is running.


The Output File


Most of the programs write their output onto a file called (usually) outfile, and a representation of the trees found onto a file called outtree.

The exact contents of the output file vary from program to program and also depend on which menu options you have selected. For many programs, if you select all possible output information, the output will consist of (1) the name of the program and its version number, (2) some of the input information printed out, and (3) a series of phylogenies, some with associated information indicating how much change there was in each character or on each part of the tree. A typical rooted tree looks like this:

                                     +-------------------Gibbon
        +----------------------------2
        !                            !      +------------------Orang
        !                            +------4
        !                                   !  +---------Gorilla
  +-----3                                   +--6
  !     !                                      !    +---------Chimp
  !     !                                      +----5
--1     !                                           +-----Human
  !     !
  !     +-----------------------------------------------Mouse
  !
  +------------------------------------------------Bovine

The interpretation of the tree is fairly straightforward: it "grows" from left to right. The numbers at the forks are arbitrary and are used (if present) merely to identify the forks. For many of the programs the tree produced is unrooted. Rooted and unrooted trees are printed in nearly the same form, but the unrooted ones are accompanied by the warning message:

remember: this is an unrooted tree!

to indicate that this is an unrooted tree and to warn against taking the position of its root too seriously. Mathematicians still call an unrooted tree a tree, though some systematists unfortunately use the term "network" for an unrooted tree. This conflicts with standard mathematical usage, which reserves the name "network" for a completely different kind of graph). The root of this tree could be anywhere, say on the line leading immediately to Mouse. As an exercise, see if you can tell whether the following tree is or is not a different one from the above:

             +-----------------------------------------------Mouse
             !
   +---------4                                   +------------------Orang
   !         !                            +------3
   !         !                            !      !       +---------Chimp
---6         +----------------------------1      !  +----2
   !                                      !      +--5    +-----Human
   !                                      !         !
   !                                      !         +---------Gorilla
   !                                      !
   !                                      +-------------------Gibbon
   !
   +-------------------------------------------Bovine

   remember: this is an unrooted tree!

(it is not different). It is important also to realize that the lengths of the segments of the printed tree may not be significant: some may actually represent branches of zero length, in the sense that there is no evidence that those branches are nonzero in length. Some of the diagrams of trees attempt to print branches approximately proportional to estimated branch lengths, while in others the lengths are purely conventional and are presented just to make the topology visible. You will have to look closely at the documentation that accompanies each program to see what it presents and what is known about the lengths of the branches on the tree. The above tree attempts to represent branch lengths approximately in the diagram. But even in those cases, some of the smaller branches are likely to be artificially lengthened to make the tree topology clearer. Here is what a tree from DNAPARS looks like, when no attempt is made to make the lengths of branches in the diagram proportional to estimated branch lengths:

                 +--Human
              +--5
           +--4  +--Chimp
           !  !
        +--3  +-----Gorilla
        !  !
     +--2  +--------Orang
     !  !
  +--1  +-----------Gibbon
  !  !
--6  +--------------Mouse
  !
  +-----------------Bovine

  remember: this is an unrooted tree!

When a tree has branch lengths, it will be accompanied by a table showing for each branch the numbers (or names) of the nodes at each end of the branch, and the length of that branch. For the first tree shown above, the corresponding table is:

 Between        And            Length      Approx. Confidence Limits
 -------        ---            ------      ------- ---------- ------

    1          Bovine            0.90216     (  0.50346,     1.30086) **
    1          Mouse             0.79240     (  0.42191,     1.16297) **
    1             2              0.48553     (  0.16602,     0.80496) **
    2             3              0.12113     (     zero,     0.24676) *
    3             4              0.04895     (     zero,     0.12668)
    4             5              0.07459     (  0.00735,     0.14180) **
    5          Human             0.10563     (  0.04234,     0.16889) **
    5          Chimp             0.17158     (  0.09765,     0.24553) **
    4          Gorilla           0.15266     (  0.07468,     0.23069) **
    3          Orang             0.30368     (  0.18735,     0.41999) **
    2          Gibbon            0.33636     (  0.19264,     0.48009) **

      *  = significantly positive, P < 0.05
      ** = significantly positive, P < 0.01

Ignoring the asterisks and the approximate confidence limits, which will be described in the documentation file for DNAML, we can see that the table gives a more precise idea of what the lengths of all the branches are. Similar tables exist in distance matrix and likelihood programs, as well as in the parsimony programs DNAPARS and PARS.

Some of the parsimony programs in the package can print out a table of the number of steps that different characters (or sites) require on the tree. This table may not be obvious at first. A typical example looks like this:

 steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       2   2   2   2   1   1   2   2   1
   10!   1   2   3   1   1   1   1   1   1   2
   20!   1   2   2   1   2   2   1   1   1   2
   30!   1   2   1   1   1   2   1   3   1   1
   40!   1

The numbers across the top and down the side indicate which site is being referred to. Thus site 23 is column "3" of row "20" and has 1 step in this case.

There are many other kinds of information that can appear in the output file, They vary from program to program, and we leave their description to the documentation files for the specific programs.


The Tree File

In output from most programs, a representation of the tree is also written into the tree file outtree. The tree is specified by nested pairs of parentheses, enclosing names and separated by commas. We will describe how this works below. If there are any blanks in the names, these must be replaced by the underscore character "_". Trailing blanks in the name may be omitted. The pattern of the parentheses indicates the pattern of the tree by having each pair of parentheses enclose all the members of a monophyletic group. The tree file could look like this:

((Mouse,Bovine),(Gibbon,(Orang,(Gorilla,(Chimp,Human)))));

In this tree the first fork separates the lineage leading to Mouse and Bovine from the lineage leading to the rest. Within the latter group there is a fork separating Gibbon from the rest, and so on. The entire tree is enclosed in an outermost pair of parentheses. The tree ends with a semicolon. In some programs such as DNAML, FITCH, and CONTML, the tree will be unrooted. An unrooted tree should have its bottommost fork have a three-way split, with three groups separated by two commas:

(A,(B,(C,D)),(E,F));

Here the three groups at the bottom node are A, (B,C,D), and (E,F). The single three-way split corresponds to one of the interior nodes of the unrooted tree (it can be any interior node of the tree). The remaining forks are encountered as you move out from that first node. In newer programs, some are able to tolerate these other forks being multifurcations (multi-way splits). You should check the documentation files for the particular programs you are using to see in which of these forms you can expect the user tree to be in. Note that many of the programs that actually estimate an unrooted tree (such as DNAPARS) produce trees in the treefile in rooted form! This is done for reasons of arbitrary internal bookkeeping. The placement of the root is arbitrary. We are working toward having all programs be able to read all trees, whether rooted or unrooted, multifurcating or bifurcating, and having them do the right thing with them. But this is a long-term goal and it is not yet achieved.

For programs that infer branch lengths, these are given in the trees in the tree file as real numbers following a colon, and placed immediately after the group descended from that branch. Here is a typical tree with branch lengths:

((cat:47.14069,(weasel:18.87953,((dog:25.46154,(raccoon:19.19959,
bear:6.80041):0.84600):3.87382,(sea_lion:11.99700,
seal:12.00300):7.52973):2.09461):20.59201):25.0,monkey:75.85931);

Note that the tree may continue to a new line at any time except in the middle of a name or the middle of a branch length, although in trees written to the tree file this will only be done after a comma.

These representations of trees are a subset of the standard adopted on 24 June 1986 at the annual meetings of the Society for the Study of Evolution by an informal committee (its final session in Newick's lobster restaurant - hence its name, the Newick standard) consisting of Wayne Maddison (author of MacClade), David Swofford (PAUP), F. James Rohlf (NTSYS-PC), Chris Meacham (COMPROB and the original PHYLIP tree drawing programs), James Archie, William H.E. Day, and me. This standard is a generalization of PHYLIP's format, itself based on a well-known representation of trees in terms of parenthesis patterns which is due to the famous mathematician Arthur Cayley, and which has been around for over a century. The standard is now employed by most phylogeny computer programs but unfortunately has yet to be decribed in a formal published description. Other descriptions by me and by Gary Olsen can be accessed using the Web at:


The Options and How To Invoke Them

Most of the programs allow various options that alter the amount of information the program is provided or what is done with the information. Options are selected in the menu.

Common options in the menu

A number of the options from the menu, the U (User tree), G (Global), J (Jumble), O (Outgroup), W (Weights), T (Threshold), M (multiple data sets), and the tree output options, are used so widely that it is best to discuss them in this document.

The U (User tree) option. This option toggles between the default setting, which allows the program to search for the best tree, and the User tree setting, which reads a tree or trees ("user trees") from the input tree file and evaluates them. The input tree file's default name is intree. In a few cases the trees should be preceded by a line giving the number of trees:

   3
((Alligator,Bear),((Cow,(Dog,Elephant)),Ferret));
((Alligator,Bear),(((Cow,Dog),Elephant),Ferret));
((Alligator,Bear),((Cow,Dog),(Elephant,Ferret)));

while in most cases the initial line with the number of trees is not required. This is an inconsistency in the programs that we are intending to eliminate soon. Some programs require rooted trees, some unrooted trees, and some can handle multifurcating trees. You should read the documentation for the particular program to find out which it requires. Program RETREE can be used to convert trees among these forms (on saving a tree from RETREE, you are asked whether you want it to be rooted or unrooted).

In using the user tree option, check the pattern of parentheses carefully. The programs do not always detect whether the tree makes sense, and if it does not there will probably be a crash (hopefully, but not inevitably, with an error message indicating the nature of the problem). Trees written out by programs are typically in the proper form.

Some of the programs require that the user trees be preceded by line with the number of user trees. Some require that they not be preceded by this line, and many can tolerate either. I have tried to note for each of these programs which of these forms of the user tree file is appropriate. We hope to bring all programs to the same user tree file format as soon as possible.

The G (Global) option. In the programs which construct trees (except for NEIGHBOR, the "...PENNY" programs and CLIQUE, and of course the "...MOVE" programs where you construct the trees yourself), after all species have been added to the tree a rearrangements phase ensues. In most of these programs the rearrangements are automatically global, which in this case means that subtrees will be removed from the tree and put back on in all possible ways so as to have a better chance of finding a better tree. Since this can be time consuming (it roughly triples the time taken for a run) it is left as an option in some of the programs, specifically CONTML, FITCH, and DNAML. In these programs the G menu option toggles between the default of local rearrangement and global rearrangement. The rearrangements are explained more below.

The J (Jumble) option. In most of the tree construction programs (except for the "...PENNY" programs and CLIQUE), the exact details of the search of different trees depend on the order of input of species. In these programs J option enables you to tell the program to use a random number generator to choose the input order of species. This option is toggled on and off by selecting option J in the menu. The program will then prompt you for a "seed" for the random number generator. The seed should be an integer between 1 and 32767, and should of form 4n+1, which means that it must give a remainder of 1 when divided by 4. This can be judged by looking at the last two digits of the number. Each different seed leads to a different sequence of addition of species. By simply changing the random number seed and re-running the programs one can look for other, and better trees. If the seed entered is not odd, the program will not proceed, but will prompt for another seed.

The Jumble option also causes the program to ask you how many times you want to restart the process. If you answer 10, the program will try ten different orders of species in constructing the trees, and the results printed out will reflect this entire search process (that is, the best trees found among all 10 runs will be printed out, not the best trees from each individual run).

Some people have asked what are good values of the random number seed. The random number seed is used to start a process of choosing "random" (actually pseudorandom) numbers, which behave as if they were unpredictably randomly chosen between 0 and 232-1 (which is 4,294,967,296). You could put in the number 133 and find that the next random number was 1,876,973,009. As they are effectively unpredictable, there is no such thing as a choice that is better than any other, provided that the numbers are of the form 4n+1. However if you re-use a random number seed, the sequence of random numbers that result will be the same as before, resulting in exactly the same series of choices, which may not be what you want.

The O (Outgroup) option. This specifies which species is to be used to root the tree by having it become the outgroup. This option is toggled on and off by choosing O in the menu (the alphabetic character O, not the digit 0). When it is on, the program will then prompt for the number of the outgroup (the species being taken in the numerical order that they occur in the input file). Responding by typing 6 and then an Enter character indicates that the sixth species in the data is the outgroup. Outgroup-rooting will not be attempted if the data have already established a root for the tree from some other consideration, and may not be if it is a user-defined tree, despite your invoking the option. Thus programs such as DOLLOP that produce only rooted trees do not allow the Outgroup option. It is also not available in KITSCH, DNAMLK, or CLIQUE. When it is used, the tree as printed out is still listed as being an unrooted tree, though the outgroup is connected to the bottommost node so that it is easy to visually convert the tree into rooted form.

The T (Threshold) option. This sets a threshold forn the parsimony programs such that if the number of steps counted in a character is higher than the threshold, it will be taken to be the threshold value rather than the actual number of steps. The default is a threshold so high that it will never be surpassed (in which case the steps whill simply be counted). The T menu option toggles on and off asking the user to supply a threshold. The use of thresholds to obtain methods intermediate between parsimony and compatibility methods is described in my 1981b paper. When the T option is in force, the program will prompt for the numerical threshold value. This will be a positive real number greater than 1. In programs MIX, MOVE, PENNY, PROTPARS, DNAPARS, DNAMOVE, and DNAPENNY, do not use threshold values less than or equal to 1.0, as they have no meaning and lead to a tree which depends only on considerations such as the input order of species and not at all on the character state data! In programs DOLLOP, DOLMOVE, and DOLPENNY the threshold should never be 0.0 or less, for the same reason. The T option is an important and underutilized one: it is, for example, the only way in this package (except for program DNACOMP) to do a compatibility analysis when there are missing data. It is a method of de-weighting characters that evolve rapidly. I wish more people were aware of its properties.

The M (Multiple data sets) option. In menu programs there is an M menu option which allows one to toggle on the multiple data sets option. The program will ask you how many data sets it should expect. The data sets have the same format as the first data set. Here is a (very small) input file with two five-species data sets:

      5    6
Alpha     CCACCA
Beta      CCAAAA
Gamma     CAACCA
Delta     AACAAC
Epsilon   AACCCA
5    6
Alpha     CACACA
Beta      CCAACC
Gamma     CAACAC
Delta     GCCTGG
Epsilon   TGCAAT

The main use of this option will be to allow all of the methods in these programs to be bootstrapped. Using the program SEQBOOT one can take any DNA, protein, restriction sites, gene frequency or binary character data set and make multiple data sets by bootstrapping. Trees can be produced for all of these using the M option. They will be written on the tree output file if that option is left in force. Then the program CONSENSE can be used with that tree file as its input file. The result is a majority rule consensus tree which can be used to make confidence intervals. The present version of the package allows, with the use of SEQBOOT and CONSENSE and the M option, bootstrapping of many of the methods in the package.

Programs DNAML, DNAPARS and PARS can also take multiple weights instead of multiple data sets. They can then do bootstrapping by reading in one data set, together with a file of weights that show how the characters (or sites) are reweighted in each bootstrap sample. Thus a site that is omitted in a bootstrap sample has effectively been given weight 0, while a site that has been duplicated has effectively been given weight 2. SEQBOOT has a menu selection to produce the file of weights information automatically, instead of producing a file of multiple data sets.

The W (Weights) option. This signals the program that, in addition to the data set, you want to read in a series of weights that tell how many times each character is to be counted. If the weight for a character is zero (0) then that character is in effect to be omitted when the tree is evaluated. If it is (1) the character is to be counted once. Some programs allow weights greater than 1 as well. These have the effect that the character is counted as if it were present that many times, so that a weight of 4 means that the character is counted 4 times. The values 0-9 give weights 0 through 9, and the values A-Z give weights 10 through 35. By use of the weights we can give overwhelming weight to some characters, and drop others from the analysis. In the molecular sequence programs only two values of the weights, 0 or 1 are allowed.

The weights are used to analyze subsets of the characters, and also can be used for resampling of the data as in bootstrap and jackknife resampling. For those programs that allow weights to be greater than 1, they can also be used to emphasize information from some characters more strongly than others. Of course, you must have some rationale for doing this.

The weights are provided as a sequence of digits. Thus they might be

10011111100010100011110001100

The weights are to be provided in an input file whose default name is weights. In programs such as SEQBOOT that can also output a file of weights, the input weights have a default file name of inweights, and the output file name has a default file name of outweights.

Weights can be used to analyze different subsets of characters (by weighting the rest as zero). Alternatively, in the discrete characters programs they can be used to force a certain group to appear on the phylogeny (in effect confining consideration to only phylogenies containing that group). This is done by adding an imaginary character that has 1's for the members of the group, and 0's for all the other species. That imaginary character is then given the highest weight possible: the result will be that any phylogeny that does not contain that group will be penalized by such a heavy amount that it will not (except in the most unusual circumstances) be considered. Of course, the new character brings extra steps to the tree, but the number of these can be calculated in advance and subtracted out of the total when reporting the results. This use of weights is an important one, and one sadly ignored by many users who could profit from it. In the case of molecular sequences we cannot use weights this way, so that to force a given group to appear we have to add a large extra segment of sites to the molecule, with (say) A's for that group and C's for every other species.

The option to write out the trees into a tree file. This specifies that you want the program to write out the tree not only on its usual output, but also onto a file in nested-parenthesis notation (as described above). This option is sufficiently useful that it is turned on by default in all programs that allow it. You can optionally turn it off if you wish, by typing the appropriate number from the menu (it varies from program to program). This option is useful for creating tree files that can be directly read into the programs, including the consensus tree and tree distance programs, and the tree plotting programs.

The output tree file has a default name of outtree.

The (0) terminal type option . (This is the digit 0, not the alphabetic character O). The program will default to one particular assumption about your terminal (except in the case of Macintoshes, the default will be an ANSI compatible terminal). You can alternatively select it to be either an IBM PC, or nothing. This affects the ability of the programs to clear the screen when they display their menus, and the graphics characters used to display trees in the programs DNAMOVE, MOVE, DOLMOVE, and RETREE. If you are running an MSDOS system and have the ANSI.SYS driver installed in your CONFIG.SYS file, you may find that the screen clears correctly even with the default setting of ANSI.


The Algorithm for Constructing Trees

All of the programs except FACTOR, DNADIST, GENDIST, DNAINVAR, SEQBOOT, CONTRAST, RETREE, and the plotting and consensus tree programs act to construct an estimate of a phylogeny. MOVE, DOLMOVE, and DNAMOVE let you construct it yourself by hand. All of the rest but NEIGHBOR, the "...PENNY" programs and CLIQUE make use of a common approach involving additions and rearrangements. They are trying to minimize or maximize some quantity over the space of all possible evolutionary trees. Each program contains a part that, given the topology of the tree, evaluates the quantity that is being minimized or maximized. The straightforward approach would be to evaluate all possible tree topologies one after another and pick the one which, according to the criterion being used, is best. This would not be possible for more than a small number of species, since the number of possible tree topologies is enormous. A review of the literature on the counting of evolutionary trees will be found one of my papers (Felsenstein, 1978a).

Since we cannot search all topologies, these programs are not guaranteed to always find the best tree, although they seem to do quite well in practice. The strategy they employ is as follows: the species are taken in the order in which they appear in the input file. The first two (in some programs the first three) are taken and a tree constructed containing only those. There is only one possible topology for this tree. Then the next species is taken, and we consider where it might be added to the tree. If the initial tree is (say) a rooted tree with two species and we want the resulting three-species tree to be a bifurcating tree, there are only three places where we could add the third species. Each of these is tried, and each time the resulting tree is evaluated according to the criterion. The best one is chosen to be the basis for further operations. Now we consider adding the fourth species, again at each of the five possible places that would result in a bifurcating tree. Again, the best of these is accepted.

Local Rearrangements

The process continues in this manner, with one important exception. After each species is added, and before the next is added, a number of rearrangements of the tree are tried, in an effort to improve it. The algorithms move through the tree, making all possible local rearrangements of the tree. A local rearrangement involves an internal segment of the tree in the following manner. Each internal segment of the tree is of this form (where T1, T2, and T3 are subtrees - parts of the tree that can contain further forks and tips):

            T1      T2       T3
             \      /        /
              \    /        /
               \  /        /
                \/        /
                 *       /
                  *     /
                   *   /
                    * /
                     *
                     !
                     !

the segment we are discussing being indicated by the asterisks. A local rearrangement consists of switching the subtrees T1 and T3 or T2 and T3, so as to obtain one of the following:

          T3       T2      T1            T1       T3      T2
           \       /       /              \       /       /
            \     /       /                \     /       /
             \   /       /                  \   /       /
              \ /       /                    \ /       /
               \       /                      \       /
                \     /                        \     /
                 \   /                          \   /
                  \ /                            \ /
                   !                              !
                   !                              !
                   !                              !

Each time a local rearrangement is successful in finding a better tree, the new arrangement is accepted. The phase of local rearrangements does not end until the program can traverse the entire tree, attempting local rearrangements, without finding any that improve the tree.

This strategy of adding species and making local rearrangements will look at about  (n-1)x(2n-3)  different topologies, though if rearrangements are frequently successful the number may be larger. I have been describing the strategy when rooted trees are being considered. For unrooted trees there is a precisely similar strategy, though the first tree constructed may be a three-species tree and the rearrangements may not start until after the addition of the fifth species.

Though we are not guaranteed to have found the best tree topology, we are guaranteed that no nearby topology (i. e. none accessible by a single local rearrangement) is better. In this sense we have reached a local optimum of our criterion. Note that the whole process is dependent on the order in which the species are present in the input file. We can try to find a different and better solution by reordering the species in the input file and running the program again (or, more easily, by using the J option). If none of these attempts finds a better solution, then we have some indication that we may have found the best topology, though we can never be certain of this.

Note also that a new topology is never accepted unless it is better than the previous one, so that the rearrangement process can never fall into an endless loop. This is also the way ties in our criterion are resolved, namely by sticking with the tree found first. However, the tree construction programs other than CLIQUE, CONTML, FITCH, and DNAML do keep a record of all trees found that are tied with the best one found. This gives you some immediate idea of which parts of the tree can be altered without affecting the quality of the result.

Global Rearrangements

A feature of most of the programs, such as PROTPARS, DNAPARS, DNACOMP, DNAML, DNAMLK, RESTML, KITSCH, FITCH, CONTML, MIX, and DOLLOP, is "global" optimization of the tree. In four of these (CONTML, FITCH, DNAML and DNAMLK) this is an option, G. In the others it automatically applies. When it is present there is an additional stage to the search for the best tree. Each possible subtree is removed from the tree from the tree and added back in all possible places. This process continues until all subtrees can be removed and added again without any improvement in the tree. The purpose of this extra rearrangement is to make it less likely that one or more a species gets "stuck" in a suboptimal region of the space of all possible trees. The use of global optimization results in approximately a tripling (3 x ) of the run-time, which is why I have left it as an option in some of the slower programs.

What PHYLIP calls "global" rearrangements are more properly called SPR (subtree pruning and regrafting) by Swofford et. al. (1996) as distinct from the NNI (nearest neighbor interchange) rearrangements that PHYLIP also uses, and the TBR (tree bisection and reconnection) rearrangements that it does not use.

The programs doing global optimization print out a dot "." after each group is removed and re-added to the tree, to give the user some sign that the rearrangements are proceeding. A new line of dots is started whenever a new round of global rearrangements is started following an improvement in the tree. On the line before the dots are printed there is printed a bar of the form "!---------------!" to show how many dots to expect. The dots will not be printed out at a uniform rate, but the later dots, which represent removal of larger groups from the tree and trying them consequently in fewer places, will print out more quickly. With some compilers each row of dots may not be printed out until it is complete.

It should be noted that PENNY, DOLPENNY, DNAPENNY and CLIQUE use a more sophisticated strategy of "depth-first search" with a "branch and bound" search method that guarantees that all of the best trees will be found. In the case of PENNY, DOLPENNY and DNAPENNY there can be a considerable sacrifice of computer time if the number of species is greater than about ten: it is a matter for you to consider whether it is worth it for you to guarantee finding all the most parsimonious trees, and that depends on how much free computer time you have! CLIQUE finds all largest cliques, and does so without undue burning of computer time. Although all of these problems that have been investigated fall into the category of "NP-hard" problems that in effect do not have a rapid solution, the cases that cause this trouble for the largest-cliques algorithm in CLIQUE apparently are not biologically realistic and do not occur in actual data.

Multiple Jumbles

As just mentioned, for most of these programs the search depends on the order in which the species are entered into the tree. Using the J (Jumble) option you can supply a random number seed which will allow the program to put the species in in a random order. Jumbling can be done multiple times. For example, if you tell the program to do it 10 times, it will go through the tree-building process 10 times, each with a different random order of adding species. It will keep a record of the trees tied for best over the whole process. In other words, it does not just record the best trees from each of the 10 runs, but records the best ones overall. Of course this is slow, taking 10 times longer than a single run. But it does give us a much greater chance of finding all of the most parsimonious trees. In the terminology of Maddison (1991) it can find different "islands" of trees. The present algorithms do not guarantee us to find all trees in a given "island" from a single run, so multiple runs also help explore those "islands" that are found.

Saving multiple tied trees

For the parsimony and compatibility programs, one can have a perfect tie between two or more trees. In these programs these trees are all saved. For the newer parsimony programs such as DNAPARS and PARS, global rearrangement is carried out on all of these tied trees. This can be turned off in the menu.

For trees with criteria which are real numbers, such as the distance matrix programs FITCH and KITSCH, and the likelihood programs DNAML, DNAMLK, CONTML, and RESTML, it is difficult to get an exact tie between trees. Consequently these programs save only the single best tree (even though the others may be only a tiny bit worse).

Strategy for Finding the Best Tree

In practice, it is advisable to use the Jumble option to evaluate many different orderings of the input species. It is advisable to use the Jumble option and specify that it be done many times (as many as ten) to use different orderings of the input species).

People who want a magic "black box" program whose results they do not have to question (or think about) often are upset that these programs give results that are dependent on the order in which the species are entered in the data. To me this property is an advantage, for it permits you to try different searches for better trees, simply by varying the input order of species. If you do not use the multiple Jumble option, but do multiple individual runs instead, you can easily decide which to pay most attention to - the one or ones that are best according to the criterion employed (for example, with parsimony, the one out of the runs that results in the tree with the fewest changes).

In practice, in a single run, it usually seems best to put species that are likely to be sources of confusion in the topology last, as by the time they are added the arrangement of the earlier species will have stabilized into a good configuration, and then the last few species will by fitted into that topology. There will be less chance this way of a poor initial topology that would affect all subsequent parts of the search. However, a variety of arrangements of the input order of species should be tried, as can be done if the J option is used, and no species should be kept in a fixed place in the order of input. Note that the results of the "...PENNY" programs and CLIQUE are not sensitive to the input order of species, and NEIGHBOR is only slightly sensistive to it, so that multiple Jumbling is not possible with those programs. Note also that with global search, which is standard in many programs and in others is an option, each group (including each individual species) will be removed and re-added in all possible positions, so that a species causing confusion will have more chance of moving to a new location than it would without global rearrangement.


A Warning on Interpreting Results

Probably the most important thing to keep in mind while running any of the parsimony or compatibility programs is not to overinterpret the result. Many users treat the set of most parsimonious trees as if it were a confidence interval. If a group appears in all of the most parsimonious trees then they treat it as well established. Unfortunately the confidence interval on phylogenies appears to be much larger than the set of all most parsimonious trees (Felsenstein, 1985b). Likewise, variation of result among different methods will not be a good indicator of the size of the confidence interval. Consider a simple data set in which, out of 100 binary characters, 51 recommend the unrooted tree ((A,B),(C,D)) and 49 the tree ((A,D),(B,C)). Many different methods will all give the same result on such a data set: they will estimate the tree as ((A,B),(C,D)). Nevertheless it is clear that the 51:49 margin by which this tree is favored is not statistically significantly different from 50:50. So consistency among different methods is a poor guide to statistical significance.


Relative Speed of Different
Programs and Machines

Relative speed of the different programs

C compilers differ in efficiency of the code they generate, and some deal with some features of the language better than with others. Thus a program which is unusually fast on one computer may be unusually slow on another. Nevertheless, as a rough guide to relative execution speeds, I have tested the programs on three data sets, each of which has 10 species and 40 characters. The first is an imaginary one in which all characters are compatible - ("The Willi Hennig Memorial Data Set" as J. S. Farris once called ones like it). The second is the binary recoded form of the fossil horses data set of Camin and Sokal (1965). The third data set has data that is completely random: 10 species and 20 characters that have a 50% chance that each character state is 0 or 1 (or A or G). The data sets thus range from a completely compatible one in which there is no homoplasy (paralellism or convergence), through the horses data set, which requires 29 steps where the possible minimum number would be 20, to the random data set, which requires 49 steps. We can thus see how this increasing messiness of the data affects running times. The three data sets have all had 20 sites of A's added to the end of each sequence, so as to prevent likelihood or distance matrix programs from having infinite branch lengths (the test data sets used for timing previous versions of PHYLIP wsere the same except that they lacked these 20 extra sites).

Here are the nucleotide sequence versions of the three data sets:

    10   40
A         CACACACAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAA
B         CACACAACAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAA
C         CACAACAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAA
D         CAACAAAACAAAAAAAAACAAAAAAAAAAAAAAAAAAAAA
E         CAACAAAAACAAAAAAAACAAAAAAAAAAAAAAAAAAAAA
F         ACAAAAAAAACACACAAAACAAAAAAAAAAAAAAAAAAAA
G         ACAAAAAAAACACAACAAACAAAAAAAAAAAAAAAAAAAA
H         ACAAAAAAAACAACAAAAACAAAAAAAAAAAAAAAAAAAA
I         ACAAAAAAAAACAAAACAACAAAAAAAAAAAAAAAAAAAA
J         ACAAAAAAAAACAAAAACACAAAAAAAAAAAAAAAAAAAA

    10   40
MesohippusAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
HypohippusAAACCCCCCCAAAAAAAAACAAAAAAAAAAAAAAAAAAAA
ArchaeohipCAAAAAAAAAAAAAAAACACAAAAAAAAAAAAAAAAAAAA
ParahippusCAAACAACAACAAAAAAAACAAAAAAAAAAAAAAAAAAAA
MerychippuCCAACCACCACCCCACACCCAAAAAAAAAAAAAAAAAAAA
M. secunduCCAACCACCACCCACACCCCAAAAAAAAAAAAAAAAAAAA
Nannipus  CCAACCACAACCCCACACCCAAAAAAAAAAAAAAAAAAAA
NeohippariCCAACCCCCCCCCCACACCCAAAAAAAAAAAAAAAAAAAA
Calippus  CCAACCACAACCCACACCCCAAAAAAAAAAAAAAAAAAAA
PliohippusCCCACCCCCCCCCACACCCCAAAAAAAAAAAAAAAAAAAA

    10   40
A         CACACAACCAAACAAACCACAAAAAAAAAAAAAAAAAAAA
B         AAACCACACACACAAACCCAAAAAAAAAAAAAAAAAAAAA
C         ACAAAACCAAACCACCCACAAAAAAAAAAAAAAAAAAAAA
D         AAAAACACAACACACCAAACAAAAAAAAAAAAAAAAAAAA
E         AAACAACCACACACAACCAAAAAAAAAAAAAAAAAAAAAA
F         CCCAAACACCCCCAAAAAACAAAAAAAAAAAAAAAAAAAA
G         ACACCCCCACACCCACCAACAAAAAAAAAAAAAAAAAAAA
H         AAAACAACAACCACCCCACCAAAAAAAAAAAAAAAAAAAA
I         ACACAACAACACAAACAACCAAAAAAAAAAAAAAAAAAAA
J         CCAAAAACACCCAACCCAACAAAAAAAAAAAAAAAAAAAA

Here are the timings of many of the version 3.6 programs on these three data sets as run after being compiled by Gnu C and run on a 266 MHz Pentium MMX computer under Linux.

  Hennigian Data Horses Data Random Data
PROTPARS 0.133 0.167 0.308
DNAPARS 0.163 0.191 0.573
DNAPENNY 0.300 0.196 36.68
DNACOMP 0.081 0.073 0.127
DNAML 2.19 2.53 2.73
DNAMLK 5.40 6.13 7.21
PROML 44.79 90.46 68.49
PROMLK 171.01 183.61 239.34
DNAML 2.19 2.53 2.73
DNAINVAR 0.002 0.002 0.002
DNADIST 0.029 0.024 0.033
PROTDIST 1.095 1.089 1.107
RESTML 3.55 3.18 5.15
RESTDIST 0.012 0.010 0.010
FITCH 0.20 0.31 0.24
KITSCH 0.055 0.061 0.058
NEIGHBOR 0.003 0.004 0.005
CONTML 0.380 0.368 0.396
GENDIST 0.008 0.009 0.008
PARS 0.201 0.263 0.729
MIX 0.064 0.078 0.123
PENNY 0.038 0.087 15.93
DOLLOP 0.134 0.141 0.233
DOLPENNY 0.051 0.241 101.29
CLIQUE 0.010 0.015 0.020


In all cases the programs were run under the default options without compiler switches, except as specified here. The data sets used for the discrete characters programs have 0's and 1's instead of A's and C's. For CONTML the A's and C's were made into 0.0's and 1.0's and considered as 40 2-allele loci. For the distance programs 10 x 10 distance matrices were computed from the three data sets. For the restriction sites programs A and C were changed into + and -. It does not make much sense to benchmark MOVE, DOLMOVE, or DNAMOVE, although when there are many characters and many species the response time after each alteration of the tree should be proportional to the product of the number of species and the number of characters. For DNAML and DNAMLK the frequencies of the four bases were set to be equal rather than determined empirically as is the default. For RESTML the number of enzymes was set to 1.

In most cases, the benchmark was made more accurate by analyzing 10 data sets using the M (Multiple data sets) option and dividing the resulting time by 10. Times were determined as user times using the Linux time command. Several patterns will be apparent from this. The algorithms (MIX, DOLLOP, CONTML, FITCH, KITSCH, PROTPARS, DNAPARS, DNACOMP, and DNAML, DNAMLK, RESTML) that use the above-described addition strategy have run times that do not depend strongly on the messiness of the data. The only exception to this is that if a data set such as the Random data requires extra rounds of global rearrangements it takes longer. The programs differ greatly in run time: the likelihood programs RESTML, DNAML and CONTML are quite a bit slower than the others. The protein sequence parsimony program, which has to do a considerable amount of bookkeeping to keep track of which amino acids can mutate to each other, is also relatively slow.

Another class of algorithms includes PENNY, DOLPENNY, DNAPENNY and CLIQUE. These are branch-and-bound methods: in principle they should have execution times that rise exponentially with the number of species and/or characters, and they might be much more sensitive to messy data. This is apparent with PENNY, DOLPENNY, and DNAPENNY, which go from being reasonably fast with clean data to very slow with messy data. DOLPENNY is particularly slow on messy data - this is because this algorithm cannot make use of some of the lower-bound calculations that are possible with DNAPENNY and PENNY. CLIQUE is very fast on all data sets. Although in theory it should bog down if the number of cliques in the data is very large, that does not happen with random data, which in fact has few cliques and those small ones. Apparently the "worst-case" data sets that cause exponential run time are much rarer for CLIQUE than for the other branch-and-bound methods.

NEIGHBOR is quite fast compared to FITCH and KITSCH, and should make it possible to run much larger cases, although the results are expected to be a bit rougher than with those programs.

Speed with different numbers of species

How will the speed depend on the number of species and the number of characters? For the sequential-addition algorithms, the speed should be proportional to somewhere between the cube of the number of species and the square of the number of species, and to the number of characters. Thus a case that has, instead of 10 species and 20 characters, 20 species and 50 characters would take (in the cubic case) 2 x 2 x 2 x 2.5 = 20 times as long. This implies that cases with more than 20 species will be slow, and cases with more than 40 species very slow. This places a premium on working on small subproblems rather than just dumping a whole large data set into the programs.

An exception to these rules will be some of the DNA programs that use an aliasing device to save execution time. In these programs execution time will not necessarily increase proportional to the number of sites, as sites that show the same pattern of nucleotides will be detected as identical and the calculations for them will be done only once, which does not lead to more execution time. This is particularly likely to happen with few species and many sites, or with data sets that have small amounts of evolutionary divergence.

For programs FITCH and KITSCH, the distance matrix is square, so that when we double the number of species we also double the number of "characters", so that running times will go up as the fourth power of the number of species rather than the third power. Thus a 20-species case with FITCH is expected to run sixteen times more slowly than a 10-species case.

For programs like PENNY and CLIQUE the run times will rise faster than the cube of the number of species (in fact, they can rise faster than any power since these algorithms are not guaranteed to work in polynomial time). In practice, PENNY will frequently bog down above 11 species, while CLIQUE easily deals with larger numbers.

For NEIGHBOR the speed should vary only as the square of the number of species, so a case twice as large will take only four times as long. This will make it an attractive alternative to FITCH and KITSCH for large data sets.

Note: If you are unsure of how long a program will take, try it first on a few species, then work your way up until you get a feel for the speed and for what size programs you can afford to run.

Execution time is not the most important criterion for a program, particularly as computer time gets much cheaper than your time or a programmer's time. With workstations on which background jobs can be run all night, execution speed is not overwhelmingly relevant. Some of us have been conditioned by an earlier era of computing to consider execution speed paramount. But ease of use, ease of adaptation to your computer system, and ease of modification are much more important in practice, and in these respects I think these programs are adequate. Only if you are engaged in 1960's style mainframe computing, or if you have very large amounts of data is minimization of execution time paramount.

Nevertheless it would have been nice to have made the programs faster. The present speeds are a compromise between speed and effectiveness: by making them slower and trying more rearrangements in the trees, or by enumerating all possible trees, I could have made the programs more likely to find the best tree. By trying fewer rearrangements I could have speeded them up, but at the cost of finding worse trees. I could also have speeded them up by writing critical sections in assembly language, but this would have sacrificed ease of distribution to new computer systems. There are also some options included in these programs that make it harder to adopt some of the economies of bookkeeping that make other programs faster. However to some extent I have simply made the decision not to spend time trying to speed up program bookkeeping when there were new likelihood and statistical methods to be developed.

Relative speed of different machines

It is interesting to compare different machines using DNAPARS as the standard task. One can rate a machine on the DNAPARS benchmark by summing the times for all three of the data sets. Here are relative total timings over all three data sets (done with various versions of DNAPARS) for some machines, taking a Pentium MMX 266 notebook computer running Linux with gcc as the standard. Benchmarks from versions 3.4 and 3.5 of the program are included (respectively the Pascal and C versions whose timings are in parentheses. They are compared only with each other and are scaled to the rest of the timings using the joint runs on the 386SX and the Pentium MMX 266. This use of separate standards is necessary not because of different languages but because different versions of the package are being compared. Thus, the "Time" is the ratio of the Total to that for the Pentium, adjusted by the scalings of machines using 3.4 and 3.5 when appropriate. The Relative Speed is the reciprocal of the Time.

Machine Operating
System
Compiler Total Time Relative
Speed
Toshiba T1100+ MSDOS Turbo Pascal 3.01A (269) 1758.2 0.0005688
Apple Mac Plus MacOS Lightspeed Pascal 2 (175.84) 1149.3 0.0008701
Toshiba T1100+ MSDOS Turbo Pascal 5.0 (162) 1058.9 0.0009443
Macintosh Classic MacOS Think Pascal 3 (160) 1045.8 0.0009562
Macintosh Classic MacOS Think C (43.0) 795.6 0.0012569
IBM PS2/60 MSDOS Turbo Pascal 5.0 (58.76) 384.00 0.002604
80286 (12 Mhz) MSDOS Turbo Pascal 5.0 (47.09) 307.77 0.003249
Apple Mac IIcx MacOS Think Pascal 3 (42) 274.44 0.003644
Apple Mac SE/30 MacOS Think Pascal 3 (42) 274.44 0.003644
Apple Mac IIcx MacOS Lightspeed Pascal 2 (39.84) 260.44 0.003840
Apple Mac IIcx MacOS Lightspeed Pascal 2# (39.69) 259.33 0.003856
Zenith Z386 (16MHz) MSDOS Turbo Pascal 5.0 (38.27) 256.67 0.003896
Macintosh SE/30 MacOS Think C (13.6) 251.56 0.003975
386SX (16 MHz) MSDOS Turbo Pascal 6.0 (34) 222.41 0.004496
386SX (16 MHz) MSDOS Microsoft Quick C (12.01) 222.41 0.004496
Sequent-S81 DYNIX Silicon Valley Pascal (13.0) 84.89 0.011780
VAX 11/785 Unix Berkeley Pascal (11.9) 77.77 0.012857
80486-33 MSDOS Turbo Pascal 6.0 (11.46) 74.89 0.013353
Sun 3/60 SunOS Sun C (3.93) 72.67 0.013761
NeXT Cube (68030) Mach Gnu C (2.608) 48.256 0.02072
Sequent S-81 DYNIX Sequent Symmetry C (2.604) 48.182 0.02075
VAXstation 3500 Unix Berkeley Pascal (7.3) 47.777 0.02093
Sequent S-81 DYNIX Berkeley Pascal (5.6) 36.600 0.02732
Unisys 7000/40 Unix Berkeley Pascal (5.24) 34.244 0.02920
VAX 8600 VMS DEC VAX Pascal (3.96) 25.889 0.03863
Sun SPARC IPX SunOS Gnu C version 2.1 (1.28) 23.689 0.04221
VAX 6000-530 VMS DEC C (0.858) 15.867 0.06303
VAXstation 4000 VMS DEC C (0.809) 14.978 0.06677
IBM RS/6000 540 AIX XLP Pascal (2.276) 14.866 0.06726
NeXTstation(040/25) Mach Gnu C (0.75) 13.867 0.07212
Sun SPARC IPX SunOS Sun C (0.68) 12.580 0.07951
486DX (33 MHz) Linux Gnu C # (0.63) 11.666 0.08571
Sun SPARCstation-1 Unix Sun Pascal (1.7) 11.111 0.09000
DECstation 5000/200 Unix DEC Ultrix C (0.45) 8.333 0.12000
Sun SPARC 1+ SunOS Sun C (0.40) 7.400 0.13513
DECstation 3100 Unix DEC Ultrix Pascal (0.77) 5.022 0.1991
IBM 3090-300E AIX Metaware High C (0.27) 5.000 0.2000
DECstation 5000/125 Unix DEC Ultrix C (0.267) 4.933 0.2027
DECstation 5000/200 Unix DEC Ultrix C (0.256) 4.733 0.2113
Sun SPARC 4/50 SunOS Sun C (0.249) 4.607 0.2171
DEC 3000/400 AXP Unix DEC C (0.224) 4.144 0.2413
DECstation 5000/240 Unix DEC Ultrix C (0.1889) 3.496 0.2861
SGI Iris R4000 Unix SGI C (0.184) 3.404 0.2937
IBM 3090-300E VM Pascal VS (0.464) 3.022 0.3309
DECstation 5000/200 Unix DEC Ultrix Pascal (0.39) 2.533 0.3947
Pentium 120 Linux Gnu C 1.848 1.994 0.5016
Pentium Pro 180 Linux Gnu C 1.009 1.088 0.9353
Pentium 266 MMX Linux Gnu C (PHYLIP 3.5) (0.054) 1.0 1.0
Pentium 266 MMX Linux Gnu C 0.927 1.0 1.0
Pentium 200 Linux Gnu C 0.853 0.9202 1.2647
SGI PowerChallenge Irix Gnu C 0.844 0.9297 1.0756
DEC Alpha 400 4/233 DUNIX Digital C (cc -fast) 0.730 0.7875 1.2699
Pentium II 500 Linux Gnu C 0.368 0.4053 2.467
Compaq/Digital Alpha 500au DUNIX Digital C (cc -fast) 0.167 0.1805 5.541

This benchmark not only reflects integer performance of these machines (as DNAPARS has few floating-point operations) but also the efficiency of the compilers. Some of the machines (the DEC 3000/400 AXP and the IBM RS/6000, in particular) are much faster than this benchmark would indicate. The numerical programs benchmark below gives them a fairer test. The Compaq/Digital Alpha 500au times are exaggerated because, although their compiles are optimized for that processor, the Pentium compiles are not similarly optimized.

Note that parallel machines like the Sequent and the SGI PowerChallenge are not really as slow as indicated by the data here, as these runs did nothing to take advantage of their parallelism.

These benchmarks have now extended over 13 years, and in the DNAPARS benchmark they extend over a range of 8000-fold in speed! The experience of our laboratory, which seems typical, is that computer power grows by a factor of about 1.85 per year. This is roughly consistent with these benchmarks.

For a picture of speeds for a more numerically intensive program, here are benchmarks using DNAML, with the Pentium MMX 266 as the standard. Some of the timings, the ones in parentheses, are using PHYLIP version 3.5, and those are compared to that version run on the Pentium 266. Runs using the PHYLIP 3.4 Pascal version are adjusted using the 386SX timings where both were run. Numbers are total run times (total user time in the case of Unix) over all three data sets.

Machine Operating
System
Compiler Seconds Time Relative
Speed
386SX 16 Mhz PCDOS Turbo Pascal 6 (7826) 181.18 0.005519
386SX 16 Mhz PCDOS Quick C (6549.79) 181.18 0.005519
Compudyne 486DX/33 Linux Gnu C (1599.9) 44.26 0.022595
SUN Sparcstation 1+ SunOS Sun C (1402.8) 38.805 0.025770
Everex STEP 386/20 PCDOS Turbo Pascal 5.5 (1440.8) 33.356 0.029980
486DX/33 PCDOS Turbo C++ (1107.2) 30.628 0.032650
Compudyne 486DX/33 PCDOS Waterloo C/386 (1045.78) 28.929 0.034567
Sun SPARCstation IPX SunOS Gnu C (960.2) 26.562 0.037648
NeXTstation(68040/25) Mach Gnu C (916.6) 25.355 0.039439
486DX/33 PCDOS Waterloo C/386 (861.0) 23.817 0.041986
Sun SPARCstation IPX SunOS Sun C (787.7) 21.790 0.045893
486DX/33 PCDOS Gnu C (650.9) 18.006 0.05554
VAX 6000-530 VMS DEC C (637.0) 17.621 0.05675
DECstation 5000/200 Unix DEC Ultrix RISC C (423.3) 11.710 0.08540
IBM 3090-300E AIX Metaware High C (201.8) 5.582 0.17914
Convex C240/1024 Unix C (101.6) 2.8105 0.35581
DEC 3000/400 AXP Unix DEC C (98.29) 2.7189 0.36779
Pentium 120 Linux Gnu C 25.26 3.3906 0.29493
Pentium Pro 180 Linux Gnu C 18.88 2.5342 0.3946
Pentium 200 Linux Gnu C 16.51 2.2161 0.4512
SGI PowerChallenge IRIX Gnu C 12.446 1.6706 0.5985
Pentium MMX 266 Linux Gnu C (PHYLIP 3.5) (36.15) 1.0 1.0
DEC Alpha 400 4/233 Linux Gnu C (cc -fast) 8.0418 1.0792 0.9266
Pentium MMX 266 Linux Gnu C 7.45 1.0 1.0
Pentium II 500 Linux Gnu C 6.02 0.8081 1.2375
Compaq/Digital Alpha 500au Linux Gnu C (cc -fast) 0.9383 0.1259 7.940

As before, the parallel machines such as the Convex and the SGI PowerChallenge were only run using one processor, which does not take into account the gain that could be obtained by parallelizing the programs. The speed of the Compaq/Digital Alpha 500au is exaggerated because it was compiled in a way optimized for its processor, while the Pentium compiles were not.

You are invited to send me figures for your machine for inclusion in future tables. Use the data sets above and compute the total times for DNAPARS and for DNAML for the three data sets (setting the frequencies of the four bases to 0.25 each for the DNAML runs). Be sure to tell me the name and version of your compiler, and the version of PHYLIP you tested. If the times are too small to be measured accurately, obtain the times for ten data sets (the Multiple data sets option) and divide by 10.


General Comments on Adapting
the Package to Different Computer Systems

In the sections following you will find instructions on how to adapt the programs to different computers and compilers. The programs should compile without alteration on most versions of C. They use the "malloc" library or "calloc" function to allocate memory so that the upper limits on how many species or how many sites or characters they can run is set by the system memory available to that memory-allocation function.

In the document file for each program, I have supplied a small input example, and the output it produces, to help you check whether the programs are running properly.


Compiling the programs

If you have not been able to get executables for PHYLIP, you should be able to make your own. This is easy under Unix and Linux, but more difficult if you have a Macintosh or a Windows system. If you have the latter, we stringly recommend you download and use the PowerMac and Windows executables that we distribute. If you do that, you will not need to have any compiler or to do any compiling. I get a certain number of inquiries each year from confused users who are not sure what a compiler is but think they need one. After downloading the executables they contact me and complain that they did not find a compiler included in the package, and would I please e-mail them the compiler. What they really need to do is use the executables and forget about compiling them.

Some users may also need to compile the programs in order to modify them. The instructions below will help with this.

I will discuss how to compile PHYLIP using one of a number of widely-used compilers. After these I will comment on compiling PHYLIP on other, less widely-used systems.

Unix and Linux

In Unix and Linux (which is Unix in all important functional respects, if not in all legal respects) it is easy to compile PHYLIP yourself, which is why we have generally not bothered to distribute executables for Unix. Unix (and Linux) systems generally have a C compiler and have the make utility. We distribute with the PHYLIP source code a Unix-compatible Makefile.

After you have finished unpacking the Documentation and Source Code archive, you will find that you have created a directory phylip in which there are three subdirectories, called exe, src, and doc. There is also an HTML web page, phylip.html. The exe directory will be empty, src contains the source code files, including the Makefile. Directory doc contains the documentation files.

Enter the src directory. Before you compile, you will want to look at the makefile and see whether you want to alter the compilation command. There are careful instructions in the Makefile telling you how to do this. To compile all the programs just type:

make install

You will then see the compiling commands as they happen, with occasional warning messages. If these are warnings, rather than errors, they are not too serious. A typical warning would be like this:

dnaml.c:1204: warning: static declaration for re_move follows non-static

After a time the compiler will finish compiling. If you have done a make install the system will then move the executables into the exe subdirectory and also save space by erasing all the relocatable object files that were produced in the process. You should be left with useable executables in the exe directory, and the src directory should be as before. To run the executables, go into the exe directory and type the program name (say dnaml). The names of the executables will be the same as the names of the C programs, but without the .c suffix. Thus dnaml.c compiles to make an executable called dnaml.

A typical Unix or Linux installation would put the directory phylip in /usr/local. The name of the executables directory EXEDIR could be changed to be /usr/local/bin, so that the make install command puts the executables there. If the users have /usr/local/bin in their paths, the programs would be found when their names are typed. The font files font1 through font6 could also be placed there. A batch script containing the lines

      ln -s /usr/local/bin/font1 font1
      ln -s /usr/local/bin/font2 font2
      ln -s /usr/local/bin/font3 font3
      ln -s /usr/local/bin/font4 font4
      ln -s /usr/local/bin/font5 font5
      ln -s /usr/local/bin/font6 font6

could be used to establish links in the user's working directory so that Drawtree and Drawgram would find these font files when users type a name such as font1 when the program asks them for a font file name. The documentation web pages are in subdirectory doc of the main PHYLIP directory, except for one, phylip.html which is in the main PHYLIP directory. It has a table of all of the documentation pages, including this one. If users create a bookmark to that page it can be used to access all of the other documentation pages.

To compile just one program, such as DNAML, type:

make dnaml

After this compilation, dnaml will be in the src subdirectory. So will some rrelocatable object code files that were used to create the executable. These have names ending in .o - they can safely be deleted.

If you have problems with the compilation command, you can edit the Makefile. It has careful explanations at its front of how you might want to do so. For example, you might want to change the C compiler name cc to the name of the Gnu C compiler, gcc. This can be done by removing the comment character # from the front of one line, and placing it at the front of a nearby line. How to do so should be clear from the material at the beginning of the Makefile. We have included sample lines for using the gcc compiler and for using the Cygwin Gnu C++ environment on Windows, as well as the default of cc.

Some older C compilers (notably the Berkeley C compiler which is included free with some Sun systems) do not adhere to the ANSI C standard (because they were written before it was set down). They have trouble with the function prototypes which are in our programs. We have included an #ifndef preprocessor command to eliminate the problem, if you use the switch -DOLDC when compiling. Thus with these compilers you need only use this in your C flags (in the Makefile) and compilers such as Berkeley C will cause no trouble.

Macintosh PowerMacs

Compiling with Metrowerks Codewarrior on Macintosh PowerMacs...

We shall assume that you have a recent version of the Metrowerks Codewarrior C++ compiler. This description, and the project files that we provide, assume Codewarrior 5.3. We also assume some familiarity with the use of the Codewarrior compiler and its Integrated Development Environment (IDE).

Start with our src directory (folder) that contains the C source code files such as dnaml.c and also the Codewarrior resource files such as dnaml.rsrc, which are provided by us.

Creating the project file. We will use DnaML as our example. We have provided a full set of project files in the self-extracting Macintosh archive. If you have them then you do not need to do the items on the following list:

  1. Start up the Codewarrior IDE integrated development environment.
  2. Create a new project file by choosing New... on the File menu.
  3. Type in the project name dnaml.proj
  4. On the Project menu on the left side of the New window, double-click on MacOS C/C++ Stationery
  5. In the New project window that opens, click on the triangle to the left of Standard Console.
  6. Move the slider at the right of the window down until you reach SIOUX-WASTE
  7. Click on the triangle to the left of SIOUX-WASTE. This opens another list of choices below.
  8. Click on the menu item SIOUX-WASTE C PPC. Press the OK button. After a bit a window dnaml.proj will open.
  9. Click on the triangle to the left of the Sources menu item. A template item called HelloWorld.c will open.
  10. Select HelloWorld.c.
  11. Open the Edit menu at the top of the Mac screen and select Clear. A box will open asking if you want to remove HelloWorld.c from the project.
  12. Select OK.
  13. If the dnaml.c file came from the self-extracting Macintosh archive that we distribute, it should show a yellow-and-back-striped Metrowerks icon (if not, as when you get it from some other form of our distribution, you may have to pass it through a program like Microsoft Word, making sure to save it as a Text Only file, to get Metrowerks to be able to see it as a potential source code file).
  14. Drag the dnaml.c file onto the Sources item in your dnaml.proj window.
  15. Drop it onto Sources so that it appears under the Sources choice. This may take a few tries -- if it appears above Sources grab it and move it again.
  16. Now add the other files that must be compiled with dnaml.c. These can be identified by looking at our Makefile -- for DnaML they are seq.c, phylip.c, seq.h, and phylip.h. Each of them needs to be added to the project file in the same way that dnaml.c was.
  17. Drag dnaml.rsrc into Sources in the same way. It doesn't matter whether it appears before or after dnaml.c.
  18. Go to the Edit menu and select the PPC Std C SIOUX-WASTE Settings item. A window of that name will then open.
  19. Under the Target item you will see a PPC Target item. Select it. A PPC Target window will open to the right.
  20. Change the name in the File Name box to be PHYLIP
  21. Change the ???? in the Creator box to (say) PHYD
  22. Change the Preferred Heap Size to 1024.
  23. Under Language Settings in the left-hand menu of the window, select C/C++ Language. A window called C/C++ Language will open to the immediate right.
  24. Click on Require Function Prototypes to deselect that setting.
  25. Click on the Save button at the lower-right of the project settings window.
  26. Close the PPC Std C SIOUX-WASTE Settings window using the usual box in the upper-left corner.
  27. On your Desktop you should now find a folder PHYLIP. If it has a file called HelloWorld.c you may want to discard that file.
  28. In that PHYLIP folder you will find a file dnaml.proj.
  29. Double-click on that project file. If the Metrowerks is not already open, it should open now.
  30. If a window called Project Messages opens and there is a complaint in it about access paths being wrong, you should fix these by selecting the Reset project entry paths item in the Project menu.
  31. Select the Make item in the Project menu.
  32. In the Project menu, select Make
Compiling a program once its resource file is available.. If the resource files are all available (as they should be), you did not need to do any of the above. Usually users will have no need to compile the programs, but occasionally they may want to change a setting or add a feature. In that case the Metrowerks Codewarrior compiler can be used. We have provided support for compiling the programs in its most recent version, version 5.3. The following discussion will assume that you have obtained and installed the compiler.

You should find in the source code directory src a subdirectory called mac which contains the Metrowerks Codewarrior compiler "project files" (with names ending in .proj, as well as the resource files (which end in .rsrc for each program. You can get into this subdirectory, activate the Metrowerks compiler, and open the appropriate project file. To compile the program, simply make sure that the project file is an active window, and type Command-M (which is to say, hold down the Command key while typing M). Alternatively, pull down the Project window and select Make. The program should then compile, possibly with ignorable warning messages.

Windows systems

Compiling with Microsoft Visual C++

Microsoft Visual C++ is used to compile the executables we distribute Windows. It can compile using a Makefile. We have supplied this in the source code distrubution as Makefile.msvc. You will need to preserve the Unix Makefile by renaming it to, say, Makefile.unix, then make a copy of Makefile.msvc and call it Makefile.

Setting the path. Before using nmake you will need to have the paths set properly. For this, use the Start menu to open Command or a Dos Prompt first. To set the path type

set MSVC=Path
where Path is where Microsoft Visual Studio is installed (e.g. it might be in c:\Microsoft Visual Studio). However the path you type should not have any spaces in it. This means that you may have to use the directory's DOS filename. In general to get a DOS name you take the first six letters of the directory name and follow them by ~1. For example, Microsoft Visual Studio will have a DOS name Micros~1, Program Files will be Progra~1). Depending on what other file are in the directory the DOS name may be the first six letters followed by ~2,~3,~4, etc... (e.g. Micros~3 or Progra~5). It may take some experimentation to figure it out. With older Versions of Windows (pre-win2000) it may be possible to just right click on the directory icon and select Properties to get the DOS name.

Once you have set MSVC, type

PATH=%PATH%;%MSVC%\VC98\bin
Then the Makefile will need to be edited. The line
MSVCPATH=c:\Micros~1\VC98
will need to be changed so that It points to whereever Microsoft Visual Studio is installed followed by \VC98.

Using the Makefile. The Makefile is invoked using the nmake command. If you simply type nmake you will get a list of possible make commands. For example, to compile a single program such as Dnaml but not install it, type make dnaml. To compile and install all programs type make install. We have supplied all the support files and icons needed for the compilations. They are in subdirectory msvc of the main source code directory.

Compiling with Borland C++

Borland C++ can be downloaded for free from Inprise (Borland) (see their site http://www.borland.com It can compile using a Makefile. We have supplied this in the source code distrubution as Makefile.bcc. You will need to preserve the Unix Makefile by renaming it to, say, Makefile.unix, then make a copy of Makefile.bcc and call it Makefile. The Makefile is invoked using the make command. If you simply type make you will get a list of possible make commands. For example, to compile a single program such as Dnaml but not install it, type make dnaml. To compile and install all programs type make install. We have supplied all the the support files and icons needed for the compilations. They are in subdirectory bcc of the main source code directory. We have had to supply a complete second set of the resource files with names *.brc because Borland resource files have a minor incompatibility with Microsoft Visual C++ resource files.

If this does not work the PATH may need to be set manually. This can be done by opening a Command or DOS window using the Start menu. To set the path, type

set BORLAND=Path
Where Path is where Borland is installed, such as C:\Progra~1\Borland. Then type
PATH=%PATH%;%BORLAND%\CBUILD~1\Bin

Compiling with Metrowerks Codewarrior for Windows

As with Macintosh systems, Metrowerks Codewarrior requires you to have project files for each program you compile. For Metrowerks Codewarrior for Windows we are not providing the projects themselves, but we are providing projects which have been exported as XML files. To open one of these one cannot just click on File/Open but instead on the menu option File/Import Project. Metrowerks will then ask you for the project name. Type in the name of the program (e.g. dnaml). Once this is done Metrowerks will act like this is a regular project file.

We have supplied a complete set of these XML project files in the source code distribution. They are in subdirectory metro of the main source code directory. This is supplied with the source code distribution for Windows (it is not in the source code distributions for other platforms). For Metrowerks Codewarrior for Windows we are not providing the projects themselves, but we are providing projects which have been exported as XML files. To open one of these one cannot just click on File/Open but instead on the menu option File/Import Project. Metrowerks will then ask you for the project name. Type in the name of the program (e.g. dnaml). Once this is done Metrowerks will act like this is a regular project file.

To compile the program pull down the Project menu and select Make. The program should then compile, possibly with ignorable warning messages.

For the moment we are not giving here the details of how to create these projects yourself -- you usually will not need to, as you have the project files we have supplied.

Compiling with Cygnus Gnu C++

Cygnus Solutions (now a part of Red Hat, Inc.) has adapted the Gnu C compiler to Windows systems and provided an environment, CygWin, which mimics Unix for compiling. This is available for purchase from them, and they also make it available to be downloaded for free. The download is large. To get it, go to their download site at http://sources.redhat.com/cygwin/download.html and follow the instructions there. It is a bit difficult to figure out how to download it -- you need to download their setup.exe program and then it will download the rest when it is run. You will need a lot of disk space for it.

Once you have installed the free Cygnus environment and the associated Gnu C compiler on your Windows system, compiling PHYLIP is essentially identical to what one does for Unix or Linux. In PHYLIP's src directory, change the name of our Unix Makefile to something like Makefile.unx (so as to keep it around). There is a special Makefile for the Cygwin compiler called Makefile.cyg. Make a copy of it called Makefile.

This Makefile should contain a compiling command:

CC = gcc

Now enter the Cygwin environment (which you can do using the Windows Start menu and its Programs menu item. There should be a Cygnus menu choice within that submenu, which you can use to start the Cygnus environment. This puts you in an imitation of a Unix shell.

On entering the CygWin environment you will find yourself in one of the subdirectories of the CygWin directory. Change to the directory where the PHYLIP programs have been put (for example by issuing the command

cd c:/phylip

You should then be able to compile PHYLIP by issuing the appropriate make command, such as make install. If you have modified one of our source code files such as dnaml.c, it would be wise to have saved the original version of it first as, say, dnaml.c0. To associate an icon with a program (say DnaML), you need an icon file (say dna.ico which contains the icon in standard format. There should also be a file called dnaml.rc which contains the single line:

dnaml ICON "dna.ico"

We have provided a subdirectory icons in the src subdirectory, containing a full set of icons and a full set of resource files (*.rc). Our Cygwin Makefile will automatically invoke them.

VMS VAX systems

We have not tried to compile version 3.6 on an OpenVMS system but the following instructions should work. On the OpenVMS operating system with DEC VAX VMS C the programs will compile without alteration. The commands for compiling a typical program (DNAPARS, which depends on the separately compiled files phylip.c and seq.c) are:

$ DEFINE LNK$LIBRARY SYS$LIBRARY:VAXCRTL
$ CC DNAPARS.C
$ CC PHYLIP.C
$ CC SEQ.C
$ LINK DNAPARS,PHYLIP,SEQ

Once you use this $ DEFINE statement during a given interactive session, you need not repeat it again as the symbol LNK$LIBRARY is thereafter properly defined. The compilation process leaves a file DNAPARS.OBJ in your directory: this can be discarded. The executable program is named DNAPARS.EXE. To run the program one then uses the command:

$ R DNAPARS

The compiler defaults to the filenames INFILE., OUTFILE., and TREEFILE.. If the input file INFILE. does not exist the program will prompt you to type in its name. Note that some commands on VMS such as TYPE OUTFILE will fail because the name of the file that it will attempt to type out will be not OUTFILE. but OUTFILE.LIS. To get it to type the write file you would have to instead issue the command TYPE OUTFILE..

When you are using the interactive previewing feature of DRAWGRAM (or DRAWTREE) on a Tektronix or DEC ReGIS compatible terminal, you will want before running the program to have issued the command:

$ SET TERM/NOWRAP/ESCAPE

so that you do not run into trouble from the VMS line length limit of 255 characters or the filtering of escape characters.

To know which files to compile together, look at the entries in the Makefile.

VMS systems are rapidly disappearing, so we will not devote much effort to get PHYLIP working on them.

Parallel computers

As parallel computers become more common, the issue of how to compile PHYLIP for them has become more pressing. People have been compiling PHYLIP for vector machines and parallel machines for many years. We have not made a version for parallel machines because there is still no standard parallel programming environment on such machines (or rather, there are many standards, so that one cannot find one that makes a parallel execution version of PHYLIP practical). However the MPI Message Passing Interface is spreading rapidly, and we will probably support it in future versions of PHYLIP.

Although the underlying algorithms of most programs, which treat sites independently, should be amenable to vector and parallel processors, there are details of the code which might best be changed. In certain of the programs (Dnaml, Dnamlk, Proml, Promlk) I have put a special comment statement next to the loops in the program where the program will spend most of its time, and which are the places most likely to benefit from parallelization. This comment statement is:

           /* parallelize here */
In particular within these innermost loops of the programs there are often scalar quantities that are used for temporary bookkeeping. These quantities, such as sum1, sum2, zz, z1, yy, y1, aa, bb, cc, sum, and denom in procedure makenewv of DNAML (and similar quantities in procedure nuview) are there to minimize the number of array references. For vectorizing and parallelizing compilers it will be better to replace them by arrays so that processing can occur simultaneously.

If you succeed in making a parallel version of PHYLIP we would like to know how you did it. In particular, if you can prepare a web page which describes how to do it for your computer system, we would like to have it for inclusion in our PHYLIP web pages. Please e-mail it to me. We hope to have a set of pages that give detailed instructions on how to make parallel version of PHYLIP on various kinds of machines. Alternatively, if we are given your modified version of the program we may be able to figure out how to make modifications to our source code to allow users to compile the program in a way which makes those modifications.

Other computer systems

As you can see from the variety of different systems on which these programs have been successfully run, there are no serious incompatibility problems with most computer systems. PHYLIP in various past Pascal versions has also been compiled on 8080 and Z80 CP/M Systems, Apple II systems running UCSD Pascal, a variety of minicomputer systems such as DEC PDP-11's and HP 1000's, on 1970's era mainframes such as CDC Cyber systems, and so on. In a later era it was also compiled on IBM 370 mainframes, and of course on DOS and Windows systems and on Macintosh and PowerMacintosh systems. We have gradually accumulated experience on a wider variety of C compilers. If you succeed in compiling the C version of PHYLIP on a different machine or a different compiler, I would like to hear the details so that I can consider including the instructions in a future version of this manual.


Frequently Asked Questions

This set of Frequently Asked Questions, and their answers, is from the PHYLIP web site. A more up-to-date version can be found there, at:

"It doesn't work! It doesn't work!! It says can't find infile.
Actually, it's working just fine. Many of the programs look for an input file called infile, and if one of that name is not present in the current directory, they then ask you to type in the name of the input file. That's all that it's doing. This is done so that you can get the program to read the file without you having to type in its name, by making a copy of your input file and calling it infile. If you don't do that, then the program issues this message. It looks alarming, but really all that it is trying to do is to get you to type in the name of the input file. Try giving it the name of the input file.
"The program reads my data file and then says it's has a memory allocation error!"
This is what tends to happen if there is a problem with the format of the data file, so that the programs get confused and think they need to set aside memory for 1,000,000 species or so. The result is a "memory allocation error". Check the data file format against the documentation: make sure that the data files have not been saved in the format of your word processor (such as Microsoft Word) but in a "flat ASCII" or "text only" mode. Note that adding memory to your computer is not the way to solve this problem -- you probably have plenty of memory to run the program once the data file is in the correct format.
"On our Macintosh, larger data files fail to run."
We have set the memory allowances on the Macintosh executables to be generous, but not too big. You therefore may need to increase them. Use the Get Info item on the Finder File menu.
"I opened the program but I don't see where to create a data file!"
The programs (there are more than one) use data files that have been created outside of the program. They do not have any data editor within them. You can create a data file by using an editor, such as Microsoft Word, EMACS, vi, SimpleText, Notepad, etc. But be sure not to save the file in Microsoft Word's own format. It should be saved in Text Only format. You can use the documentation files, including the examples at the end of those files, to figure out the format of the input file. Documentation files such as main.html, sequence.html, distance.html and many others should be consulted. Many users create their data files by having their alignment program (such as ClustalW), output its alignments in PHYLIP format. Many alignment programs have options to do that. menu while the program is selected.
"I ran PHYLIP, and all it did was say it was extracting a bunch of files!"
There is no executable program named PHYLIP in the PHYLIP package! But in some cases (especially the Windows distribution) there is a file called phylip.exe. That file is an archive of documentation and source code. Once you have run it and extracted the files in it, so that they are in the directory, running it again will just do the extraction again, which is unnecessary. Similarly for the archive files for the Windows executables, which have names like phylipwx.exe and phylipwy.exe. They are run only once to extract their contents.
"One program makes an output file and then the next program crashes while reading it!"
Did you rename the file? If a program makes a file called outfile, and then the next program is told to use outfile as its input file, terrible things will happen. The second program first opens outfile as an output file, thus erasing it. When it then tries to read from this empty outfile a psychological crisis ensues. The solution is simply to rename outfile before trying to use it as an input file.
"I make a file called infile and then the program can't find it!"
Let me guess. You are using Windows, right? You made your file in Word or in Notepad or WordPad, right? If you made a file in one of these editors, and saved it, not in Word format, but in Text Only format, then you were doing the right thing. But when you told the operating system to save the file as infile, it actually didn't. It saved it as infile.txt. Then just to make life harder for you, the operating system is set up by default to not show that three-letter extension to the file name. Next to its icon it will show the name infile. So you think, quite reasonably, that there is a file called infile. But there isn't a file of that name, so the program, quite reasonably, can't find a file called infile. If you want to check what the actual file name is, use the Properties menu item of the File item on your folder (in Windows versions, anyway). You should be able to get the program to work by telling it that the file name is INFILE.TXT.
"Consense gives wierd branch lengths! How do I get more reasonable ones?"
Consense gives branch lengths which are simply the numbers of replicates that support the branch. This is not a good reflection of how long those branches are estimated to be. The best way to put better branch lengths on a consensus tree is to use it as a User Tree in a program that will estimate branch lengths for it. You may need to convert it to being an unrooted tree, using Retree, first. If the original program you were using was a parsimony program, which does not estimate branch lengths, you may instead have to make some distances between your species (using, for example, DnaDist), and use Fitch to put branch lengths on the user tree. Here is the sequence of steps you should go through:
  1. Take the tree and use Retree to make sure it is Unrooted (just read it into Retree and then save it, specifying Unrooted)
  2. Use the unrooted tree as a User Tree (option U) in one of our programs (such as Fitch or DnaML). If you use Fitch, you also need to use one of the distance programs such as DnaDist to compute a set of distances to serve as its input.
  3. Specify that the branch lengths of the tree are not to be used but should be re-estimated. This is actually the default.
"DrawTree (or DrawGram) doesn't work: it can't find the font file!"
Six font files, called font1 through font6, are distributed with the executables (and with the source code too). The program looks for a copy of one of them called fontfile. If you haven't made such a copy called fontfile it then asks you for the name of the font file. If they are in the current directory, just type one of font1 through font6. The reason for having the program look for fontfile is so that you can copy your favorite font file, call the copy fontfile, and then it will be found automatically without you having to type the name of the font file each time.
"Can DrawGram draw a scale beside the tree? Print the branch lengths as numbers?"
It can't do either of these. Doing so would make the program more complex, and it is not obvious how to fit the branch length numbers into a tree that has many very short internal branches. If you want these scales or numbers, choose an output plot file format (such as Postscript, PICT or PCX) that can be read by a drawing program such as Adobe Illustrator, Freehand, Canvas, CorelDraw, or MacDraw. Then you can add the scales and branch length numbers yourself by hand. Note the menu option in DrawTree and DrawGram that specifies the tree size to be a given number of centimeters per unit branch length.
"How can I get DrawGram or DrawTree to print the bootstrap values next to the branches?"
When you do bootstrapping and use Consense, it prints the bootstrap values in its output file (both in a table of sets, and on the diagram of the tree which it makes). These are also in the output tree file of Consense. There they are in place of branch lengths. So to get them to be on the output of DrawGram or DrawTree, you must write the tree in the format of a drawing program and use it to put the values in by hand, as mentioned in the answer to the previous question.
"I have an HP Laserjet and can't get DrawGram to print on it"
DRAWGRAM and DRAWTREE produce a plot file (called plotfile): they do not send it to the printer. It is up to you to get the plot file to the printer. If you are running Windows or DOS this can probably be done with the MSDOS command COPY/B PLOTFILE PRN:, unless your printer is a networked printer. The /B is important. If it is omitted the copy command will strip off the highest bit of each byte, which can cause the printing to fail or produce garbage.
"DNAML won't read the treefile that is produced by DNAPARS!"
That's because the DnaPars tree file is a rooted tree, and DnaML wants an unrooted tree. Try using Retree to change the file to be an unrooted tree file.
"In bootstrapping, SEQBOOT makes too large a file"
If there are 1000 bootstrap replicates, it will make a file 1000 times as long as your original data set. But for many methods there is another way that uses much less file space. You can use SEQBOOT to make a file of multiple sets of weights, and use those together with the original data set to do bootstrapping.
"In bootstrapping, the output file gets too big."
When running a program such as NEIGHBOR or DNAPARS with multiple data sets (or multiple weights) for purposes of bootstrapping, the output file is usually not needed, as it is the output tree file that is used next. You can use the menu of the program to turn off the writing of trees into the output file. The trees will still be written into the tree file.
"Why doesn't NEIGHBOR read my DNA sequences correctly?"
Because it wants to have as input a distance matrix, not sequences. You have to use DNADIST to make the distance matrix first.

How to make it do various things

"How do I bootstrap?"
The general method of bootstrapping involves running SEQBOOT to make multiple bootstrapped data sets out of your one data set, then running one of the tree-making programs with the Multiple data sets option to analyze them all, then running CONSENSE to make a majority rule consensus tree from the resulting tree file. Read the documentation of SEQBOOT to get further information. Before, only parsimony methods could be bootstrapped. With this new system almost any of the tree-making methods in the package can be bootstrapped. It is somewhat more tedious but you will find it much more rewarding.
"How do I specify a multi-species outgroup with your parsimony programs?"
It's not a feature but is not too hard to do in many of the programs. In parsimony programs like MIX, for which the W (Weights) and A (Ancestral states) options are available, and weights can be larger than 1, all you need to do is:
(a)
In MIX, make up an extra character with states 0 for all the outgroups and 1 for all the ingroups. If using DNAPARS the ingroup can have (say) G and the outgroup A.
(b)
Assign this character an enormous weight (such as Z for 35) using the W option, all other characters getting weight 1, or whatever weight they had before.
(c)
If it is available, Use the A (Ancestral states) option to designate that for that new character the state found in the outgroup is the ancestral state.
(d)
In MIX do not use the O (Outgroup) option.
(e)
After the tree is found, the designated ingroup should have been held together by the fake character. The tree will be rooted somewhere in the outgroup (the program may or may not have a preference for one place in the outgroup over another). Make sure that you subtract from the total number of steps on the tree all steps in the new character.

In programs like DNAPARS, you cannot use this method as weights of sites cannot be greater than 1. But you do an analogous trick, by adding a largish number of extra sites to the data, with one nucleotide state ("A") for the ingroup and another ("G") for the outgroup. You will then have to use RETREE to manually reroot the tree in the desired place.

"How do I force certain groups to remain monophyletic in your parsimony programs?"
By the same method as in the previous question, using multiple fake characters, any number of groups of species can be forced to be monophyletic. In MOVE, DOLMOVE, and DNAMOVE you can specify whatever outgroups you want without going to this trouble.
"How can I reroot one of the trees written out by PHYLIP?"
Use the program RETREE. But keep in mind whether the tree inferred by the original program was already rooted, or whether you are free to reroot it.
"What do I do about deletions and insertions in my sequences?"
The molecular sequence programs will accept sequences that have gaps (the "-" character). They do various things with them, mostly not optimal. DNAPARS counts "gap" as if it were a fifth nucleotide state (in addition to A, C, G, and T). Each site counts one change when a gap arises or disappears. The disadvantage of this treatment is that a long gap will be overweighted, with one event per gapped site. So a gap of 10 nucleotides will count as being as much evidence as 10 single site nucleotide substitutions. If there are not overlapping gaps, one way to correct this is to recode the first site in the gap as "-" but make all the others be "?" so the gap only counts as one event. Other programs such as DNAML and DNADIST count gaps as equivalent to unknown nucleotides (or unknown amino acids) on the grounds that we don't know what would be there if something were there. This completely leaves out the information from the presence or absence of the gap itself, but does not bias the gapped sequence to be close to or far from other gapped or ungapped sequences. So it is not necessary to remove gapped regions from your sequences, unless the presence of gaps indicates that the region is badly aligned.
"How can I produce distances for my data set which has 0's and 1's?"
You can't do it in a simple and general way, for a straightforward reason. Distance methods must correct the distances for superimposed changes. Unless we know specifically how to do this for your particular characters, we cannot accomplish the correction. There are many formulas we could use, but we can't choose among them without much more information. There are issues of superimposed changes, as well as heterogeneity of rates of change in different characters. Thus we have not provided a distance program for 0/1 data. It is up to you to figure out what is an appropriate stochastic model for your data and to find the right distance formulas.
"I have RFLP fragment data: which programs should I use?"
This is more difficult question than you may imagine. Here is quick tour of the issues:
  • You can code fragments are 0 and 1 and use a parsimony program. It is not obvious in advance whether 0 or 1 is ancestral, though it is likely that change in one direction is more likely than change in the other for each fragment. One can use either Wagner parsimony (programs MIX, PENNY or MOVE) or use Dollo parsimony (DOLLOP, DOLPENNY or DOLMOVE) with the ancestral states all set as unknown ("?").
  • You can use a distance matrix method using the RFLP distance of Nei and Li (1979). Their restriction fragment distance is available in our program RestDist.
  • You should be very hesitant to bootstrap RFLP's. The individual fragments do not evolve independently: a single nucleotide substitution can eliminate one fragment and create two (or vice versa).
For restriction sites (rather than fragments) life is a bit easier: they evolve nearly independently so bootstrapping is possible and RESTML can be used. Also directionality of change is less ambiguous when parsimony is used.
"Why don't your parsimony programs print out branch lengths?"
Well, DNAPARS and PARS can. The others have not yet been upgraded to the same level. The longer answer is that it is because there are problems defining the branch lengths. If you look closely at the reconstructions of the states of the hypothetical ancestral nodes for almost any data set and almost any parsimony method you will find some ambiguous states on those nodes. There is then usually an ambiguity as to which branch the change is actually on. Other parsimony programs resolve this in one or another arbitrary fashion, sometimes with the user specifying how (for example, methods that push the changes up the tree as far as possible or down it as far as possible). Our older programs leave it to the user to do this. In DNAPARS and PARS we use an algorithm discovered by Hochbaum and Pathria (1997) (and independently by Wayne Maddison) to compute branch lengths that average over all possible placements of the changes. But these branch lengths, as nice as they are, do not correct for mulitple superimposed changes. Few programs available from others currently correct the branch lengths for multiple changes of state that may have overlain each other. One possible way to get branch lengths with nucleotide sequence data is to take the tree topology that you got, use RETREE to convert it to be unrooted, prepare a distance matrix from your data using DNADIST, and then use FITCH with that tree as User Tree and see what branch lengths it estimates.
"Why can't your programs handle unordered multistate characters?"
In this 3.6 release there is a program PARS which does parsimony for undordered multistate characters with up to 8 states, plus ?. The other the discrete characters parsimony programs can only handle two states, 0 and 1. This is mostly because I have not yet had time to modify them to do so - the modifications would have to be extensive. Ultimately I hope to get these done. If you have four or fewer states and need a feature that is not in PARS, you could recode your states to look like nucleotides and use the parsimony programs in the molecular sequence section of PHYLIP, or you could use one of the excellent parsimony programs produced by others.

Background information needed:

"What file format do I use for the sequences?"
"How do I use the programs? I can't find any documentation!"
These are discussed in the documentation files. Do you have them? If you have a copy of this page you probably do. They are in a separate archive from the executables (they are in the Documentation and Sources archives, which you should definitely fetch). Input file formats are discussed in main.html, in sequence.html, distance.html, contchar.html, discrete.html, and the documentation files for the individual programs.
"Where can I find out how to infer phylogenies?
There are few books yet. For molecular data you could use one of these:
  • Graur, D. and W.-H. Li. 2000. Fundamentals of Molecular Evolution. Sinauer Associates, Sunderland, Massachusetts. (or the earlier edition by Li and Graur).
  • Page, R. D. P. and E. C. Holmes. 1998. Molecular Evolution: A Phylogenetic Approach. Blackwell, Oxford.
  • Nei, M. and S. Kumar. 2000. Molecular Evolution and Phylogenetics. Oxford University Press, Oxford.
  • Li, W.-H. 1999. Molecular Evolution. Sinauer Associates, Sunderland, Massachusetts.
In addition, one of these three review articles may help:
  • Swofford, D. L., G. J. Olsen, P. J. Waddell, and D. M. Hillis. 1996. Phylogenetic inference. pp. 407-514 in Molecular Systematics, 2nd ed., ed. D. M. Hillis, C. Moritz, and B. K. Mable. Sinauer Associates, Sunderland, Massachusetts.
  • Felsenstein, J. 1988. Phylogenies from molecular sequences: inference and reliability. Annual Review of Genetics 22: 521-565.
  • Felsenstein, J. 1988. Phylogenies and quantitative characters. Annual Review of Ecology and Systematics 19: 445-471.
My own book on phylogenies is due to be published in late 2002. It will be called "Inferring Phylogenies". For information on whether it has been published you should check the Sinauer Associates web site.

Questions about distribution and citation:

"If I copied PHYLIP from a friend without you knowing, should I try to keep you from finding out?"
No. It is to your advantage and mine for you to let me know. If you did not get PHYLIP "officially" from me or from someone authorized by me, but copied a friend's version, you are not in my database of users. You may also have an old version which has since been substantially improved. I don't mind you "bootlegging" PHYLIP (it's free anyway), but you should realize that you may have copied an outdated version. If you are reading this Web page, you can get the latest version just as quickly over Internet. It will help both of us if you get onto my mailing list. If you are on it, then I will give your name to other nearby users when they ask for the names of nearby users, and they are urged to contact you and update your copy. (I benefit by getting a better feel for how many distributions there have been, and having a better mailing list to use to give other users local people to contact). Use the registration form which can be accessed through our web site's registration page.
"How do I make a citation to the PHYLIP package in the paper I am writing?"
One way is like this:

Felsenstein, J. 2002. PHYLIP (Phylogeny Inference Package) version 3.6a3. Distributed by the author. Department of Genome Sciences, University of Washington, Seattle.

or if the editor for whom you are writing insists that the citation must be to a printed publication, you could cite a notice for version 3.2 published in Cladistics:

Felsenstein, J. 1989. PHYLIP - Phylogeny Inference Package (Version 3.2). Cladistics 5: 164-166.

For a while a printed version of the PHYLIP documentation was available and one could cite that. This is no longer true. Other than that, this is difficult, because I have never written a paper announcing PHYLIP! My 1985b paper in Evolution on the bootstrap method contains a one-paragraph Appendix describing the availability of this package, and that can also be cited as a reference for the package, although it was distributed since 1980 while the bootstrap paper is 1985. A paper on PHYLIP is needed mostly to give people something to cite, as word-of-mouth, references in other people's papers, and electronic newsgroup postings have spread the word about PHYLIP's existence quite effectively.

"Can I make copies of PHYLIP available to the students in my class?"
Generally, yes. Read the Copyright notice near the front of this main documentation page. If you charge money for PHYLIP, or use it in a service for which you charge money, you will need to negotiate a royalty. But you can make it freely available and you do not need to get any special permission from us to do so.
"How many copies of PHYLIP have been distributed?"
On 27 September, 1996 we reached 5,000 registered installations worldwide. (By now we are well over 15,000 but have lost count for the moment). Of course there are many more people who have got copies from friends. PHYLIP is the most widely distributed phylogeny package. (This situation may reverse itself rapidly once PAUP* is fully released. During the years it was in full distribution, PAUP was ahead in phylogenies published, and the availability of distance and likelihood methods in PAUP* are making it very popular.) In recent years magnetic tape distribution and e-mail distribution of PHYLIP have disappeared, and there has been a big decrease of diskette distributions (down to only one or two per year). But all this has been more than offset by, first, an explosion of distributions by anonymous ftp over Internet, and then a bigger explosion of World Wide Web distributions and registrations (about 6 registrations per day at the moment).

Questions about documentation

"Where can I get a printed version of the PHYLIP documents?"
For the moment, you can only get a printed version by printing it yourself. For versions 3.1 to 3.3 a printed version was sold by Christopher Meacham and Tom Duncan, then at the University Herbarium of the University of California at Berkeley. But they have had to discontinue this as it was too much work. You should be able to print out the documentation files on almost any printer and make yourself a printed version of whichever of them you need.
"Why have I been dropped from your newsletter mailing list?"
You haven't. The newsletter was dropped. It simply was too hard to mail it out to such a large mailing list. The last issue of the newsletter was Number 9 in May, 1987. The Listserver News Bulletins that we tried for a while have also been dropped as too hard to keep up to date. I am hoping that our World Wide Web site will take their place.

Additional Frequently Asked Questions, or: "Why didn't it occur to you to ...

... allow the options to be set on the command line?
We could in Unix and Linux, or somewhat differently in Windows. But there are so many options that this would be difficult, especially when the options require additional information to be supplied such as rates of evolution for many categories of sites. You may be asking this question because you want to automate the operation of PHYLIP programs using batch files (command files) to run in background. If that is the issue, see the section of this main documentation page on "Running the programs in background or under control of a command file". It explains how to set the options using input redirection and a file that has the menu responses as keystrokes.
... write these programs in Pascal?"
These programs started out in Pascal in 1980. In 1993 we released both Pascal and C versions. The present version (3.6) and future versions will be C-only. I make fewer mistakes in Pascal and do like the language better than C, but C has overtaken Pascal and Pascal compilers are starting to be hard to find on some machines. Also C is a bit better standardized which makes the number of modifications a user has to make to adapt the programs to their system much less.
... write these programs in Java?"
Well, we might. It is not completely clear which of two contenders, C++ and Java, will become more widespread, and which one will gradually fade away. Whichever one is more successful, we will probably want to use for future versions of PHYLIP. As the C compilers that are used to compile PHYLIP are usually also able to compile C++, we will be moving in that direction, but with constant worrying about whether to convert PHYLIP to Java instead.
... forgot about all those inferior systems and just develop PHYLIP for Unix?"
This is self-answering, since the same people first said I should just develop it for Apple II's, then for CP/M Z-80's, then for IBM PCDOS, then for Macintoshes or for Sun workstations, and then for Windows. If I had listened to them and done any one of these, I would have had a very hard time adapting the package to any of the other ones once these folks changed their mind (and most of them did)!
... write these programs in PROLOG (or Ada, or Modula-2, or SIMULA, or BCPL, or PL/I, or APL, or LISP)?"
These are all languages I have considered. All have advantages, but they are not really widespread (as are C and C++).
... include in the package a program to do the Distance Wagner method, (or successive approximations character weighting, or transformation series analysis)?"
In most cases where I have not included other methods, it is because I decided that they had no substantial advantages over methods that were included (such as the programs FITCH, KITSCH, NEIGHBOR, the T option of MIX and DOLLOP, and the "?" ancestral states option of the discrete characters parsimony programs).
... include in the package ordination methods and more clustering algorithms?"
Because this is not a clustering package, it's a package for phylogeny estimation. Those are different tasks with different objectives and mostly different methods. Mary Kuhner and Jon Yamato have, however, included in NEIGHBOR an option for UPGMA clustering, which will be very similar to KITSCH in results.
... include in the package a program to do nucleotide sequence alignment?"
Well, yes, I should have, and this is scheduled to be in future releases. But multiple sequence alignment programs, in the era after Sankoff, Morel, and Cedergren's 1973 classic paper, need to use substantial computer horsepower to estimate the alignment and the tree together (but see Karl Nicholas's program GeneDoc or Ward Wheeler and David Gladstein's MALIGN, as well as more approximate methods of tree-based alignment used in ClustalW or TreeAlign).

(Fortunately) obsolete questions

(The following four questions, once common, have finally disappeared, I am pleased to report).

"Why didn't it occur to you to ...

... let me log in to your computer in Seattle and copy the files out over a phone line?"
No thanks. It would cost you for a lot of long-distance telephone time, plus a half hour of my time and yours in which I had to explain to you how to log in and do the copying.
... send me a listing of your program?"
Damn it, it's not "a program", it's 35 programs, in a great many files. What were you thinking of doing, having 1800-line programs typed in by slaves at your end? If you were going to go to all that trouble why not try network transfer? If you have these then you can print out all the listings you want to and add them to the huge stack of printed output in the corner of your office.
... write a magnetic tape in our computer center's favorite format (inverted Lithuanian EBCDIC at 998 bpi)?"
Because the ANSI standard format is the most widely used one, and even though your computer center may pretend it can't read a tape written this way, if you sniff around you will find a utility to read it. It's just a lot easier for me to let you do that work. If I tried to put the tape into your format, I would probably get it wrong anyway.
... give us a version of these in FORTRAN?"
Because the programs are far easier to write and debug in C or Pascal, and cannot easily be rewritten into FORTRAN (they make extensive use of recursive calls and of records and pointers). In any case, C is widely available. If you don't have a C compiler or don't know how to use it, you are going to have to learn a language like C or Pascal sooner or later, and the sooner the better.


New Features in This Version

Version 3.6 has many new features:

  • Faster (well, less, slow) likelihood programs.
  • The DNA and protein likelihood and distance programs allow for rate variation between sites using a gamma distribution of rates among sites, or using a gamma distribution plus a given fraction of sites which are assumed invariant.
  • A new multistate discrete characters parsimony program, PARS, that handles unordered multistate characters.
  • The DNAPARS and PARS parsimony programs can infer multifurcating trees, which sensibly reduces the number of tied trees they find.
  • A new protein sequence likelihood program, PROML, and also a version, PROMLK which assumes a molecular clock.
  • A new restriction sites and restriction fragments distance program, RESTDIST, that can also be used to compute distances for RAPD and AFLP data. It also allows for gamma-distributed rate variation among DNA sites.
  • In the DNA likelihood programs, you can now specify different categories of rates of change (such as rates for first, second, and third positions of a coding sequence) and assign them to specific sites. This is in addition to the ability of the program to use the Hidden Markov Model mechanism to allow rates of change to vary across sites in a way that does not ask you to assign which rate goes with which site.
  • The input files for many of the programs are now simpler, in that they do not contain options information such as specification of weights and categories. That information is now provided in separete files with default names such as weights and categories.
  • The DNA likelihood programs can now evaluate multifurcating user trees (option U).
  • All programs that read in user-defined trees now do so from a separate file, whose default name is intree, rather than requiring them to be in the input file as before.
  • The DNA likelihood programs can infer the sequence at ancestral nodes in the interior of the tree.
  • DNAPARS can now do transversion parsimony.
  • The bootstrapping program SEQBOOT now can, instead of producing a large file containing multiple data sets, be asked instead to produce a weights file with multiple sets of weights. Many programs in this release can analyze those multiple weights together with the original data set, which saves disk space.
  • The bootstrapping program SEQBOOT can pass weights and categories information through to a multiple weights file or a multiple categories file.
  • SEQBOOT can also convert sequence files from Interleaved to Sequential form, or back.
  • SEQBOOT can also write a sequence data file into a preliminary version of a new XML format which is being defined for sequence alignments, for use by programs that need XML input (none of the current PHYLIP programs yet need this format, but it will be useful in the future).
  • RETREE can now write tree out into a preliminary version of a new XML tree file format which is in the process of being defined.
  • The Kishino-Hasegawa-Templeton (KHT) test which compares user-defined trees (option U) is now joined by the Shimodaira-Hasegawa (SH) test (Shimodaira and Hasegawa, 1999) which corrects for comparisons among multiple tests. This avoids a statistical problem with multiple user trees.
  • CONTRAST can now carry out an analysis that takes into account within-species variation, according to a model similar (but not identical) to that introduced by Michael Lynch (1990)
  • A new program, TREEDIST, computes the Robinson-Foulds symmetric difference distance among trees. This measures the number of branches in the trees that are present in one but not the other.
  • FITCH and KITSCH now have an option to make trees by the minimum evolution distance matrix method.
  • The protein parsimony program PROTPARS now allows you to choose among a number of different genetic codes such as mitochondrial codes.
  • The consensus tree program CONSENSE can compute the Ml family of consensus tree methods, which generalize the Majority Rule consensus tree method. It can also compute our extended Majority Rule consensus (which is Majority Rule with some additional groups added to resolve the tree more completely), and it can also compute the original Majority Rule consensus tree method which does not add these extra groups. It can also compute the Strict consensus.
  • The tree-drawing programs DRAWGRAM and DRAWTREE have a number of new options of kinds of file they can produce, including Windows Bitmap files, files for the Idraw and FIG X windows drawing programs, the POV ray-tracer, and even VRML Virtual Reality Markup Language files that will enable you to wander around the tree using a VRML plugin for your browser, such as Cosmo Player.
  • DRAWTREE now uses my new Equal Daylight Algorithm to draw unrooted trees. This gives a much better-looking tree. Of course, competing programs such as TREEVIEW and PAUP draw trees that look just as good - because they too have started to use my method (with my encouragement). DRAWTREE also can use another algorithm, the n-body method.
  • The tree-drawing programs can now produce trees across multiple pages, which is handy for looking at trees with very large numbers of tips, and for producing giant diagrams by pasting together multiple sheets of paper.

There are many more, lesser features added as well.


Coming Attractions, Future Plans

There are some obvious deficiencies in this version. Some of these holes will be filled in the next few releases (leading to version 4.0). They include:

  1. A program to align molecular sequences on a predefined User Tree may ultimately be included. This will allow alignment and phylogeny reconstruction to procede iteratively by successive runs of two programs, one aligning on a tree and the other finding a better tree based on that alignment. In the shorter run a simple two-sequence alignment program may be included.
  2. An interactive "likelihood explorer" for DNA sequences will be written. This will allow, either with or without the assumption of a molecular clock, trees to be varied interactively so that the user can get a much better feel for the shape of the likelihood surface. Likelihood will be able to be plotted against branch lengths for any branch.
  3. If possible we will find some way of correcting for purine/pyrimidine richness variations among species, within the framework of the maximum likelihood programs. That they maximum likelihood programs do not allow for base composition variation is their major limitation at the moment.
  4. The Hidden Markov Model (regional rates) option of DNAML and DNAMLK will be generalized to allow for rates at sites to gradually change as one moves along the tree, in an attempt to implement Fitch and Markowitz's (1970) notion of "covarions".
  5. Obviously we need to start thinking about a more visual mouse/windows interface, but only if that can be used on X windows, Macintoshes, and Windows.
  6. Program PENNY and its relatives will improved so as to run faster and find all most parsimonious trees more quickly.
  7. A more sophisticated compatibility program should be included, if I can find one.
  8. An "evolutionary clock" version of CONTML will be done, and the same may also be done for RESTML.
  9. We are gradually generalizing the tree structures in the programs to infer multifurcating trees as well as bifurcating ones. We should be able to have any program read any tree and know what to do with it, without the user having to fret about whether an unrooted tree was fed to a program that needs a rooted tree.
  10. We are economizing on the size of the source code, and enforcing some standardization of it, by putting frequently used routines in separate files which can be linked into various programs. This will enforce a rather complete standardization of our code.
  11. We will move our code to an object-oriented language, most lkely C++. One could describe the language that version 3.4 was written in as "Pascal", version 3.5 as "Pascal written in C", version 3.6 as "C written in C", and maybe version 4.0 as "C++ written in C" and then 4.1 as "C++ written in C++". At least that scenario is one possibility.

Much of the future development of the package will be in the DNA and protein likelihood programs and the distance matrix programs. This is for several reasons. First, I am more interested in those problems. Second, collection of molecular data is increasing rapidly, and those programs have the most promise for future development for those data.


Endorsements

Here are some comments people have made in print about PHYLIP. Explanatory material in square brackets is my own. They fall naturally into two groups:

From the pages of Cladistics:

"Under no circumstances can we recommend PHYLIP/WAG [their name for the Wagner parsimony option of MIX]."
Luckow, M. and R. A. Pimentel (1985)

"PHYLIP has not proven very effective in implementing parsimony (Luckow and Pimentel, 1985)."
J. Carpenter (1987a)

"... PHYLIP. This is the computer program where every newsletter concerning it is mostly bug-catching, some of which have been put there by previous corrections. As Platnick (1987) documents, through dint of much labor useful results may be attained with this program, but I would suggest an easier way: FORMAT b:"
J. Carpenter (1987b)

"PHYLIP is bug-infested and both less effective and orders of magnitude slower than other programs ...."
"T. N. Nayenizgani" [J. S. Farris] (1990)

"Hennig86 [by J. S. Farris] provides such substantial improvements over previously available programs (for both mainframes and microcomputers) that it should now become the tool of choice for practising systematists."
N. Platnick (1989)

... and in the pages of other journals:

"The availability, within PHYLIP of distance, compatibility, maximum likelihood, and generalized `invariants' algorithms (Cavender and Felsenstein, 1987) sets it apart from other packages .... One of the strengths of PHYLIP is its documentation ...."
Michael J. Sanderson (1990)
(Sanderson also criticizes PHYLIP for slowness and inflexibility of its parsimony algorithms, and compliments other packages on their strengths).

"This package of programs has gradually become a basic necessity to anyone working seriously on various aspects of phylogenetic inference .... The package includes more programs than any other known phylogeny package. But it is not just a collection of cladistic and related programs. The package has great value added to the whole, and for this it is unique and of extreme importance .... its various strengths are in the great array of methods provided ...."
Bernard R. Baum (1989)

(note also W. Fink's critical remarks (1986) on version 2.8 of PHYLIP).


References for the Documentation Files

In the documentation files that follow I frequently refer to papers in the literature. In order to centralize the references they are given in this section. The chapter by David Swofford, Gary Olsen, Peter Waddell, and David Hillis (1996) is also an excellent review of the issues in phylogeny reconstruction. If you want to find further papers beyond these, my Quarterly Review of Biology review of 1982 and my Annual Review of Genetics review of 1988 list many further references.

Adams, E. N. 1972. Consensus techniques and the comparison of taxonomic trees. Systematic Zoology 21: 390-397.

Adams, E. N. 1986. N-trees as nestings: complexity, similarity, and consensus. Journal of Classification 3: 299-317.

Archie, J. W. 1989. A randomization test for phylogenetic information in systematic data. Systematic Zoology 38: 219-252.

Barry, D., and J. A. Hartigan. 1987. Statistical analysis of hominoid molecular evolution. Statistical Science 2: 191-210.

Baum, B. R. 1989. PHYLIP: Phylogeny Inference Package. Version 3.2. (Software review). Quarterly Review of Biology 64: 539-541.

Bron, C., and J. Kerbosch. 1973. Algorithm 457: Finding all cliques of an undirected graph. Communications of the Association for Computing Machinery 16: 575-577.

Camin, J. H., and R. R. Sokal. 1965. A method for deducing branching sequences in phylogeny. Evolution 19: 311-326.

Carpenter, J. 1987a. A report on the Society for the Study of Evolution workshop "Computer Programs for Inferring Phylogenies". Cladistics 3: 363-375.

Carpenter, J. 1987b. Cladistics of cladists. Cladistics 3: 363-375.

Cavalli-Sforza, L. L., and A. W. F. Edwards. 1967. Phylogenetic analysis: models and estimation procedures. Evolution 32: 550-570 (also American Journal of Human Genetics 19: 233-257).

Cavender, J. A. and J. Felsenstein. 1987. Invariants of phylogenies in a simple case with discrete states. Journal of Classification 4: 57-71.

Churchill, G.A. 1989. Stochastic models for heterogeneous DNA sequences. Bulletin of Mathematical Biology 51: 79-94.

Conn, E. E. and P. K. Stumpf. 1963. Outlines of Biochemistry. John Wiley and Sons, New York.

Day, W. H. E. 1983. Computationally difficult parsimony problems in phylogenetic systematics. Journal of Theoretical Biology 103: 429-438.

Dayhoff, M. O. and R. V. Eck. 1968. Atlas of Protein Sequence and Structure 1967-1968. National Biomedical Research Foundation, Silver Spring, Maryland.

Dayhoff, M. O., R. M. Schwartz, and B. C. Orcutt. 1979. A model of evolutionary change in proteins. pp. 345-352 in Atlas of Protein Sequence and Structure, volume 5, supplement 3, 1978, ed. M. O. Dayhoff. National Biomedical Research Foundation, Silver Spring, Maryland .

Dayhoff, M. O. 1979. Atlas of Protein Sequence and Structure, Volume 5, Supplement 3, 1978. National Biomedical Research Foundation, Washington, D.C.

DeBry, R. W. and N. A. Slade. 1985. Cladistic analysis of restriction endonuclease cleavage maps within a maximum-likelihood framework. Systematic Zoology 34: 21-34.

Dempster, A. P., N. M. Laird, and D. B. Rubin. 1977. Maximum likelihood from incomplete data via the EM algorithm. Journal of the Royal Statistical Society B 39: 1-38.

Eck, R. V., and M. O. Dayhoff. 1966. Atlas of Protein Sequence and Structure 1966. National Biomedical Research Foundation, Silver Spring, Maryland.

Edwards, A. W. F., and L. L. Cavalli-Sforza. 1964. Reconstruction of evolutionary trees. pp. 67-76 in Phenetic and Phylogenetic Classification, ed. V. H. Heywood and J. McNeill. Systematics Association Volume No. 6. Systematics Association, London.

Estabrook, G. F., C. S. Johnson, Jr., and F. R. McMorris. 1976a. A mathematical foundation for the analysis of character compatibility. Mathematical Biosciences 23: 181-187.

Estabrook, G. F., C. S. Johnson, Jr., and F. R. McMorris. 1976b. An algebraic analysis of cladistic characters. Discrete Mathematics 16: 141-147.

Estabrook, G. F., F. R. McMorris, and C. A. Meacham. 1985. Comparison of undirected phylogenetic trees based on subtrees of four evolutionary units. Systematic Zoology 34: 193-200.

Faith, D. P. 1990. Chance marsupial relationships. Nature345: 393-394.

Faith, D. P. and P. S. Cranston. 1991. Could a cladogram this short have arisen by chance alone?: On permutation tests for cladistic structure. Cladistics 7: 1-28.

Farris, J. S. 1977. Phylogenetic analysis under Dollo's Law. Systematic Zoology 26: 77-88.

Farris, J. S. 1978a. Inferring phylogenetic trees from chromosome inversion data. Systematic Zoology 27: 275-284.

Farris, J. S. 1981. Distance data in phylogenetic analysis. pp. 3-23 in Advances in Cladistics: Proceedings of the first meeting of the Willi Hennig Society, ed. V. A. Funk and D. R. Brooks. New York Botanical Garden, Bronx, New York.

Farris, J. S. 1983. The logical basis of phylogenetic analysis. pp. 1-47 in Advances in Cladistics, Volume 2, Proceedings of the Second Meeting of the Willi Hennig Society. ed. Norman I. Platnick and V. A. Funk. Columbia University Press, New York.

Farris, J. S. 1985. Distance data revisited. Cladistics 1: 67-85.

Farris, J. S. 1986. Distances and statistics. Cladistics 2: 144-157.

Farris, J. S. ["T. N. Nayenizgani"]. 1990. The systematics association enters its golden years (review of Prospects in Systematics, ed. D. Hawksworth). Cladistics 6: 307-314.

Felsenstein, J. 1973a. Maximum likelihood and minimum-steps methods for estimating evolutionary trees from data on discrete characters. Systematic Zoology 22: 240-249.

Felsenstein, J. 1973b. Maximum-likelihood estimation of evolutionary trees from continuous characters. American Journal of Human Genetics 25: 471-492.

Felsenstein, J. 1978a. The number of evolutionary trees. Systematic Zoology 27: 27-33.

Felsenstein, J. 1978b. Cases in which parsimony and compatibility methods will be positively misleading. Systematic Zoology 27: 401-410.

Felsenstein, J. 1979. Alternative methods of phylogenetic inference and their interrelationship. Systematic Zoology 28: 49-62.

Felsenstein, J. 1981a. Evolutionary trees from DNA sequences: a maximum likelihood approach. Journal of Molecular Evolution 17: 368-376.

Felsenstein, J. 1981b. A likelihood approach to character weighting and what it tells us about parsimony and compatibility. Biological Journal of the Linnean Society 16: 183-196.

Felsenstein, J. 1981c. Evolutionary trees from gene frequencies and quantitative characters: finding maximum likelihood estimates. Evolution 35: 1229-1242.

Felsenstein, J. 1982. Numerical methods for inferring evolutionary trees. Quarterly Review of Biology 57: 379-404.

Felsenstein, J. 1983b. Parsimony in systematics: biological and statistical issues. Annual Review of Ecology and Systematics 14: 313-333.

Felsenstein, J. 1984a. Distance methods for inferring phylogenies: a justification. Evolution 38: 16-24.

Felsenstein, J. 1984b. The statistical approach to inferring evolutionary trees and what it tells us about parsimony and compatibility. pp. 169-191 in: Cladistics: Perspectives in the Reconstruction of Evolutionary History, edited by T. Duncan and T. F. Stuessy. Columbia University Press, New York.

Felsenstein, J. 1985a. Confidence limits on phylogenies with a molecular clock. Systematic Zoology 34: 152-161.

Felsenstein, J. 1985b. Confidence limits on phylogenies: an approach using the bootstrap. Evolution 39: 783-791.

Felsenstein, J. 1985c. Phylogenies from gene frequencies: a statistical problem. Systematic Zoology 34: 300-311.

Felsenstein, J. 1985d. Phylogenies and the comparative method. American Naturalist 125: 1-12.

Felsenstein, J. 1986. Distance methods: a reply to Farris. Cladistics 2: 130-144.

Felsenstein, J. and E. Sober. 1986. Parsimony and likelihood: an exchange. Systematic Zoology 35: 617-626.

Felsenstein, J. 1988a. Phylogenies and quantitative characters. Annual Review of Ecology and Systematics 19: 445-471.

Felsenstein, J. 1988b. Phylogenies from molecular sequences: inference and reliability. Annual Review of Genetics 22: 521-565.

Felsenstein, J. 1992. Phylogenies from restriction sites, a maximum likelihood approach. Evolution 46: 159-173.

Felsenstein, J. and G. A. Churchill. 1996. A hidden Markov model approach to variation among sites in rate of evolution Molecular Biology and Evolution 13: 93-104.

Fink, W. L. 1986. Microcomputers and phylogenetic analysis. Science 234: 1135-1139.

Fitch, W. M., and E. Markowitz. 1970. An improved method for determining codon variability in a gene and its application to the rate of fixation of mutations in evolution. Biochemical Genetics 4: 579-593.

Fitch, W. M., and E. Margoliash. 1967. Construction of phylogenetic trees. Science 155: 279-284.

Fitch, W. M. 1971. Toward defining the course of evolution: minimum change for a specified tree topology. Systematic Zoology 20: 406-416.

Fitch, W. M. 1975. Toward finding the tree of maximum parsimony. pp. 189-230 in Proceedings of the Eighth International Conference on Numerical Taxonomy, ed. G. F. Estabrook. W. H. Freeman, San Francisco.

Fitch, W. M. and E. Markowitz. 1970. An improved method for determining codon variability and its application to the rate of fixation of mutations in evolution. Biochemical Genetics 4: 579-593.

George, D. G., L. T. Hunt, and W. C. Barker. 1988. Current methods in sequence comparison and analysis. pp. 127-149 in Macromolecular Sequencing and Synthesis, ed. D. H. Schlesinger. Alan R. Liss, New York.

Gomberg, D. 1966. "Bayesian" post-diction in an evolution process. unpublished manuscript: University of Pavia, Italy.

Graham, R. L., and L. R. Foulds. 1982. Unlikelihood that minimal phylogenies for a realistic biological study can be constructed in reasonable computational time. Mathematical Biosciences 60: 133-142.

Hasegawa, M. and T. Yano. 1984a. Maximum likelihood method of phylogenetic inference from DNA sequence data. Bulletin of the Biometric Society of Japan No. 5: 1-7.

Hasegawa, M. and T. Yano. 1984b. Phylogeny and classification of Hominoidea as inferred from DNA sequence data. Proceedings of the Japan Academy 60 B: 389-392.

Hasegawa, M., Y. Iida, T. Yano, F. Takaiwa, and M. Iwabuchi. 1985a. Phylogenetic relationships among eukaryotic kingdoms as inferred from ribosomal RNA sequences. Journal of Molecular Evolution 22: 32-38.

Hasegawa, M., H. Kishino, and T. Yano. 1985b. Dating of the human-ape splitting by a molecular clock of mitochondrial DNA. Journal of Molecular Evolution 22: 160-174.

Hendy, M. D., and D. Penny. 1982. Branch and bound algorithms to determine minimal evolutionary trees. Mathematical Biosciences 59: 277-290.

Higgins, D. G. and P. M. Sharp. 1989. Fast and sensitive multiple sequence alignments on a microcomputer. Computer Applications in the Biological Sciences (CABIOS) 5: 151-153.

Hochbaum, D. S. and A. Pathria. 1997. Path costs in evolutionary tree reconstruction. Journal of Computational Biology 4: 163-175.

Holmquist, R., M. M. Miyamoto, and M. Goodman. 1988. Higher-primate phylogeny - why can't we decide? Molecular Biology and Evolution 5: 201-216.

Inger, R. F. 1967. The development of a phylogeny of frogs. Evolution 21: 369-384.

Jin, L. and M. Nei. 1990. Limitations of the evolutionary parsimony method of phylogenetic analysis. Molecular Biology and Evolution 7: 82-102.

Jones, D. T., W. R. Taylor and J. M. Thornton. 1992. The rapid generation of mutation data matrices from protein sequences. Computer Applications in the Biosciences (CABIOS) 8: 275-282.

Jukes, T. H. and C. R. Cantor. 1969. Evolution of protein molecules. pp. 21-132 in Mammalian Protein Metabolism, ed. H. N. Munro. Academic Press, New York.

Kidd, K. K. and L. A. Sgaramella-Zonta. 1971. Phylogenetic analysis: concepts and methods. American Journal of Human Genetics 23: 235-252.

Kim, J. and M. A. Burgman. 1988. Accuracy of phylogenetic-estimation methods using simulated allele-frequency data. Evolution 42: 596-602.

Kimura, M. 1980. A simple model for estimating evolutionary rates of base substitutions through comparative studies of nucleotide sequences. Journal of Molecular Evolution 16: 111-120.

Kimura, M. 1983. The Neutral Theory of Molecular Evolution. Cambridge University Press, Cambridge.

Kingman, J. F. C. 1982a. The coalescent. Stochastic Processes and Their Applications 13: 235-248.

Kingman, J. F. C. 1982b. On the genealogy of large populations. Journal of Applied Probability 19A: 27-43.

Kishino, H. and M. Hasegawa. 1989. Evaluation of the maximum likelihood estimate of the evolutionary tree topologies from DNA sequence data, and the branching order in Hominoidea. Journal of Molecular Evolution 29: 170-179.

Kluge, A. G., and J. S. Farris. 1969. Quantitative phyletics and the evolution of anurans. Systematic Zoology 18: 1-32.

Kuhner, M. K. and J. Felsenstein. 1994. A simulation comparison of phylogeny algorithms under equal and unequal evolutionary rates. Molecular Biology and Evolution 11: 459-468 (Erratum 12: 525  1995).

Künsch, H. R. 1989. The jackknife and the bootstrap for general stationary observations. Annals of Statistics 17: 1217-1241.

Lake, J. A. 1987. A rate-independent technique for analysis of nucleic acid sequences: evolutionary parsimony. Molecular Biology and Evolution 4: 167-191.

Lake, J. A. 1994. Reconstructing evolutionary trees from DNA and protein sequences: paralinear distances. Proceedings of the Natonal Academy of Sciences, USA 91: 1455-1459.

Le Quesne, W. J. 1969. A method of selection of characters in numerical taxonomy. Systematic Zoology 18: 201-205.

Le Quesne, W. J. 1974. The uniquely evolved character concept and its cladistic application. Systematic Zoology 23: 513-517.

Lewis, H. R., and C. H. Papadimitriou. 1978. The efficiency of algorithms. Scientific American 238: 96-109 (January issue)

Lockhart, P. J., M. A. Steel, M. D. Hendy, and D. Penny. 1994. Recovering evolutionary trees under a more realistic model of sequence evolution. Molecular Biology and Evolution 11: 605-612.

López-Martínez, N.; Álvarez-Sierra, M. A. & García Moreno, E. 1986. Paleontología y Bioestratigrafía (Micromamíferos) del Mioceno medio-superior del Sector Central de la Cuenca del Duero. Stvdia Geologica Salmanticensia 22: 146-191.

Luckow, M. and D. Pimentel. 1985. An empirical comparison of numerical Wagner computer programs. Cladistics 1: 47-66.

Lynch, M. 1990. Methods for the analysis of comparative data in evolutionary biology. Evolution 45: 1065-1080.

Maddison, D. R. 1991. The discovery and importance of multiple islands of most-parsimonious trees. Systematic Zoology 40: 315-328.

Margush, T. and F. R. McMorris. 1981. Consensus n-trees. Bulletin of Mathematical Biology 43: 239-244.

Nelson, G. 1979. Cladistic analysis and synthesis: principles and definitions, with a historical note on Adanson's Familles des Plantes (1763-1764). Systematic Zoology 28: 1-21.

Nei, M. 1972. Genetic distance between populations. American Naturalist 106: 283-292.

Nei, M. and W.-H. Li. 1979. Mathematical model for studying genetic variation in terms of restriction endonucleases. Proceedings of the National Academy of Sciences, USA 76: 5269-5273.

Page, R. D. M. 1989. Comments on component-compatibility in historical biogeography. Cladistics 5: 167-182.

Penny, D. and M. D. Hendy. 1985. Testing methods of evolutionary tree construction. Cladistics 1: 266-278.

Platnick, N. 1987. An empirical comparison of microcomputer parsimony programs. Cladistics 3: 121-144.

Platnick, N. 1989. An empirical comparison of microcomputer parsimony programs. II. Cladistics 5: 145-161.

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Robinson, D. F. and L. R. Foulds. 1981. Comparison of phylogenetic trees. Mathematical Biosciences 53: 131-147.

Rohlf, F. J. and M. C. Wooten. 1988. Evaluation of the restricted maximum likelihood method for estimating phylogenetic trees using simulated allele- frequency data. Evolution 42: 581-595.

Rzhetsky, A., and M. Nei. 1992. Statistical properties of the ordinary least-squares, generalized least-squares, and minimum-evolution methods of phylogenetic inference. Journal of Molecular Evolution 35: 367-375 .

Saitou, N., Nei, M. 1987. The neighbor-joining method: a new method for reconstructing phylogenetic trees. Molecular Biology and Evolution 4: 406-425.

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Credits

Over the years various granting agencies have contributed to the support of the PHYLIP project (at first without knowing it). They are:

Years Agency Grant or Contract Number
1999-2002 NSF BIR-9527687
1999-2002 NIH NIGMS R01 GM51929-04
1999-2001 NIH NIMH R01 HG01989-01
1995-1999 NIH NIGMS R01 GM51929-01
1992-1995 National Science Foundation DEB-9207558
1992-1994 NIH NIGMS Shannon Award 2 R55 GM41716-04
1989-1992 NIH NIGMS 1 R01-GM41716-01
1990-1992 National Science Foundation BSR-8918333
1987-1990 National Science Foundation BSR-8614807
1979-1987 U.S. Department of Energy DE-AM06-76RLO2225 TA DE-AT06-76EV71005

I am particularly grateful to program administrators William Moore, Irene Eckstrand, Peter Arzberger, and Conrad Istock, who have gone beyond the call of duty to make sure that PHYLIP continued.

Booby prizes for funding are awarded to:

  • The people at the U.S. Department of Energy who, in 1987, decided they were "not interested in phylogenies",
  • The members of the Systematics Panel of NSF who twice (in 1989 and 1992) positively recommended that my applications not be funded. I am very grateful to program director William Moore for courageously overruling their decision the first time. The 1992 NSF Systematics Panel could claim no credit for PHYLIP whatsoever.
  • The members of the 1992 Genetics Study Section of NIH who rated my proposal in the 53rd percentile (I don't know if that's 53rd from the top or the bottom, but does it matter?), thus denying it funding. I am, however, grateful to the NIGMS administrators, especially Irene Eckstrand, who supported giving me a "Shannon award" partially funding my work for a period in spite of this rating.

The original Camin-Sokal parsimony program and the polymorphism parsimony program were written by me in 1977 and 1978. They were Pascal versions of earlier FORTRAN programs I wrote in 1966 and 1967 using the same algorithm to infer phylogenies under the Camin-Sokal and polymorphism parsimony criteria. Harvey Motulsky worked for me as a programmer in 1971 and wrote FORTRAN programs to carry out the Camin-Sokal, Dollo, and polymorphism methods (he is known these days as the author of the scientific graphing package GraphPad). But most of the early work on PHYLIP other than my own was by Jerry Shurman and Mark Moehring. Jerry Shurman worked for me in the summers of 1979 and 1980, and Mark Moehring worked for me in the summers of 1980 and 1981. Both wrote original versions of many of the other programs, based on the original versions of my Camin-Sokal parsimony program and POLYM. These formed the basis of Version 1 of the Package, first distributed in October, 1980.

Version 2, released in the spring of 1982, involved a fairly complete rewrite by me of many of those programs. Hisashi Horino for version 3.3 reworked some parts of the programs CLIQUE and CONSENSE to make their output more comprehensible, and has added some code to the tree-drawing programs DRAWGRAM and DRAWTREE as well. He also worked on some of the Drawtree and Drawgram driver code.

My more recent part-time programmers Akiko Fuseki, Sean Lamont, Andrew Keeffe, Daniel Yek, Dan Fineman, Patrick Colacurcio, Mike Palczewski, and Doug Buxton gave me substantial help with the current release, and their excellent work is greatly appreciated. Akiko in particular did much of the hard work of adding new features and changing old ones in the 3.4 and 3.5 releases, centralized many of the C routines in support files, and is responsible for the new versions of DNAPARS and PARS. Andrew prepared the Macintosh version, wrote RETREE, added the ray-tracing and PICT code to the DRAW programs and has since done much other work. Sean was central to the conversion to C, and tested it extensively. My postdoctoral fellow Mary Kuhner and her associate Jon Yamato created NEIGHBOR, the neighbor-joining and UPGMA program, for the current release, for which I am also grateful (Naruya Saitou and Li Jin kindly encouraged us to use some of the code from their own implementation of this method).

I am very grateful to over 200 users for algorithmic suggestions, complaints about features (or lack of features), and information about the behavior of their operating systems and compilers. A list of some of their names will be found at the credits page on the PHYLIP web site.

A major contribution to this package has been made by others writing programs or parts of programs. Chris Meacham contributed the important program FACTOR, long demanded by users, and the even more important ones PLOTREE and PLOTGRAM. Important parts of the code in DRAWGRAM and DRAWTREE were taken over from those two programs. Kent Fiala wrote function "reroot" to do outgroup-rooting, which was an essential part of many programs in earlier versions. Someone at the Western Australia Institute of Technology suggested the name PHYLIP (by writing it the label on the outside of a magnetic tape), but they all seem to deny having done so (and I've lost the relevant letter).

The distribution of the package also owes much to Buz Wilson and Willem Ellis, who put a lot of effort into the early distributions of the PCDOS and Macintosh versions respectively. Christopher Meacham and Tom Duncan for three versions distributed a printed version of these documentation files (they are no longer able to do so), and I am very grateful to them for those efforts. William H.E. Day and F. James Rohlf have been very helpful in setting up the listserver news bulletin service which succeeded the PHYLIP newsletter for a time.

I also wish to thank the people who have made computer resources available to me, mostly in the loan of use of microcomputers. These include Jeremy Field, Clem Furlong, Rick Garber, Dan Jacobson, Rochelle Kochin, Monty Slatkin, Jim Archie, Jim Thomas, and George Gilchrist.

I should also note the computers used to develop this package: These include a CDC 6400, two DECSystem 1090s, my trusty old SOL-20, my old Osborne-1, a VAX 11/780, a VAX 8600, a MicroVAX I, a DECstation 3100, my old Toshiba 1100+, my DECstation 5000/200, a DECstation 5000/125, a Compudyne 486DX/33, a Trinity Genesis 386SX, a Zenith Z386, a Mac Classic, a DEC Alphastation 400 4/233, a Pentium 120, a Pentium 200, a PowerMac 6100, and a Macintosh G3. (One of the reasons we have been successful in achieving compatibility between different computer systems is that I have had to run them myself under so many different operating systems and compilers).


Other Phylogeny Programs Available Elsewhere

A comprehensive list of phylogeny programs is maintained at the PHYLIP web site on the Phylogeny Programs pages:

Here we will simply mention some of the major general-purpose programs. For many more and much more, see those web pages.

PAUP*   A comprehensive program with parsimony, likelihood, and distance matrix methods. It competes with PHYLIP to be responsible for the most trees published. Written by David Swofford and distributed by Sinauer Associates of Sunderland, Massachusetts. It is described in a web pages for the Macintosh version, the Windows version, and the Unix/OpenVMS version. Current prices are $100 for the Macintosh version, $85 for the Windows version, and $150 for Unix versions for many kinds of workstations.

MacClade   An interactive Macintosh and PowerMac program to rearrange trees and watch the changes in the fit of the trees to data as judged by parsimony. MacClade has a great many features including a spreadsheet data editor and many different descriptive statistics for different kinds of data. It is particularly designed to export and import data to and from PAUP*. MacClade is available for $100 from Sinauer Associates, of Sunderland, Massachusetts. It is described in a web page at http://www.sinauer.com/detail.php?id=4707. MacClade is also described on its Web page, at http://phylogeny.arizona.edu/macclade/macclade.html.

MEGA   A Windows and DOS program by Sudhir Kumar of Arizona State University (written together with Koichiro Tamura and Masatoshi Nei while he was a student in Nei's lab at Pennsylvania State University). It can carry out parsimony and distance matrix methods for DNA sequence data. Version 2.1 for Windows can be downloaded from the MEGA web site at http://www.megasoftware.net.

PAML   Ziheng Yang of the Department of Genetics and Biometry at University College, London has written this package of programs to carry out likelihood analysis of DNA and protein sequence data. PAML is particularly strong in the options for coping with variability of rates of evolution from site to site, though it is less able than some other packages to search effectively for the best tree. It is available as C source code and as PowerMac and Windows executables from its web site at http://abacus.gene.ucl.ac.uk/software/paml.html.

TREE-PUZZLE   This package by Korbinian Strimmer and Arndt von Haeseler was begun when they were at the Uviversität Munchen in Germany. TREE-PUZZLE can carry out likelihood methods for DNA and protein data, searching by the strategy of "quartet puzzling" which they invented. It can also compute distances. It superimposes trees estimated from many quartets of species. TREE-PUZZLE is available for Unix, Macintoshes, or Windows from their web site at http://www.tree-puzzle.de/.

DAMBE    A package written by Xuhua Xia, then of the Department of Ecology and Biodiversity of the University of Hong Kong. Its initials stand for Data Analysis in Molecular Biology and Evolution. DAMBE is a general-purpose package for DNA and protein sequence phylogenies. It can read and convert a number of file formats, and has many features for descriptive statistics, and can compute a number of commonly-used distance matrix measures and infer phylogenies by parsimony, distance, or likelihood methods, including bootstrapping and jackknifing. There are a number of kinds of statistical tests of trees available and it can also display phylogenies. DAMBE includes a copy of ClustalW as well; DAMBE consists of Windows95 executables. It is available from its web site at http://web.hku.hk/~xxia/software/software.htm. Xia has now moved to the Department of Biology of the University of Ottawa, Canada, and I suspect the DAMBE web site will soon follow him there.

MOLPHY   A package of programs for carrying out likelihood analysis of DNA and protein data, written by Jun Adachi and Masami Hasegawa of the Institute of Statistical Mathematics in Tokyo, Japan. The source code is available from them at the MOLPHY web site at http://www.ism.ac.jp/software/ismlib/softother.e.html, and Windows executables are available from Russell Malmberg's web site at http://dogwood.botany.uga.edu/malmberg/software.html.

Hennig86   A fast parsimony program by J. S. Farris of the Naturhistoriska Riksmuseet in Stockholm, Sweden for discrete characters data (it can handle DNA if its states are recoded to be digits). Reputed to be faster than PAUP*. The program is distributed as an executable and costs $50, plus $5 mailing costs ($10 outside of of the U.S.). The user's name should be stated, as copies are personalized as a copy-protection measure. It is distributed by Arnold Kluge, Amphibians and Reptiles, Museum of Zoology, University of Michigan, Ann Arbor, Michigan 48109-1079, U.S.A. (akluge@umich.edu) and by Diana Lipscomb at George Washington University (BIODL@gwuvm.gwu.edu).

RnA   J. S. Farris's very fast program which uses parsimony to carry out jackknifing resampling of DNA sequence data. This would be nearly equivalent in properties to bootstrapping if the jackknifing were sampling random halves of the data, but Farris prefers to have each jackknife sample delete a fraction 1/e of the data, which will give most groups too much support (he would disagree with this statement). RnA is available from Arnold Kluge, Amphibians and Reptiles, Museum of Zoology, University of Michigan, Ann Arbor, Michigan 48109-1079, U.S.A. (akluge@umich.edu) and Diana Lipscomb at George Washington University (BIODL@gwuvm.gwu.edu) who may be contacted for details. The cost is about $30 US.

NONA   Pablo Goloboff, of the Instituto Miguel Lillo in Tucuman, Argentina has written these very fast parsimony programs, capable of some relevant forms of weighted parsimony, which can handle either DNA sequence data or discrete characters. It is available as shareware from http://www.cladistics.com/aboutNona.htm There is a 30 day free trial, after which NONA must be purchased separately by sending a check for $40.00 to either directly to the the author, or to: James M. Carpenter, Attn: NONA, Division of Invertebrate Zoology, American Museum of Natural History, Central Park West at 79th Street, New York, NY 10024.

TNT This program, by Pablo Goloboff, J. S. Farris, and Kevin Nixon, is for searching large data sets for most parsimonious trees. The authors are respectively at the Instituto Miguel Lillo in Tucuman, Argentina, the Naturhistoriska Riksmuseet in Stockholm, Sweden, and the Hortorium, Cornell University, Ithaca, New York. TNT is described as faster than other methods, though not faster than NONA for small to medium data sets. Its distribution status is somewhat uncertain. The site http://www.cladistics.com/aboutTNT.html describes it as unavailable, while the web site http://www.cladistics.com/webtnt.html makes a beta version available for download. The program downloaded is free but needs a password to function, which the user should obtain from Pablo Goloboff (see the latter web page for details).

These are only a few of the more than 194 different phylogeny packages that are now available (as of January, 2001 - the number keeps increasing). The others are described (and web links and ftp addresses provided) at my Phylogeny Programs web pages at the address given above.


How You Can Help Me

Simply let me know of any problems you have had adapting the programs to your computer. I can often make "transparent" changes that, by making the code avoid the wilder, woolier, and less standard parts of C, not only help others who have your machine but even improve the chance of the programs functioning on new machines. I would like fairly detailed information on what gave trouble, on what operating system, machine, and (if relevant) compiler, and what had to be done to make the programs work. I am sometimes able to do some over-the-telephone trouble-shooting, particularly if I don't have to pay for the call, but electronic mail is a the best way for me to be asked about problems, as you can include your input and output files so I can see what is going on (please do not send them as Attachments, but as part of the body of a message). I'd really like these programs to be able to run with only routine changes on absolutely everything, down to and possibly including the Amana Touchmatic Radarange Microwave Oven which was an Intel 8080 system (in fact, early versions of this package did run successfully on Intel 8080 systems running the CP/M operating system). A PalmPilot version is contemplated too.

I would also like to know timings of programs from the package, when run on the three test input files provided above, for various computer and compiler combinations, so that I can provide this information in the section on speeds of this document.

For the phylogeny plotting programs DRAWGRAM and DRAWTREE, I am particularly interested in knowing what has to be done to adapt them for other graphic file formats.

You can also be helpful to PHYLIP users in your part of the world by helping them get the latest version of PHYLIP from our web site and by helping them with any problems they may have in getting PHYLIP working on their data.

Your help is appreciated. I am always happy to hear suggestions for features and programs that ought to be incorporated in the package, but please do not be upset if I turn out to have already considered the particular possibility you suggest and decided against it.


In Case of Trouble

Read The (documentation) Files Meticulously ("RTFM"). If that doesn't solve the problem, please check the Frequently Asked Questions web page at the PHYLIP web site:

http://evolution.gs.washington.edu/phylip/faq.html

and the PHYLIP Bugs web page at that site:

http://evolution.gs.washington.edu/phylip/bugs.html

If none of these answers your question, get in touch with me. My electronic mail address is given below. If you do ask about a problem, please specify the program name, version of the package, computer operating system, and send me your data file so I can test the problem. Do not send your data file as an e-mail Attachment but instead as the body of a message. I read the e-mail on a Unix system, which makes it impossible to read some formats of attachments without running around to other machines and moving the files there. This is one of my least favorite activities, so please do not use attachments. Also it will help if you have the relevant output and documentation files so that you can refer to them in any correspondence. I can also be reached by telephone by calling me in my office: +1-(206)-543-0150, or at home: +1-(206)-526-9057 (how's that for user support!). If I cannot be reached at either place, a message can be left at the office of the Department of Genome Sciences, (206)-221-7377 but I prefer strongly that I not call you, as in any phone consultation the least you can do is pay the phone bill. Better yet, use electronic mail.

Particularly if you are in a part of the world distant from me, you may also want to try to get in touch with other users of PHYLIP nearby. I can also, if requested, provide a list of nearby users.

Joe Felsenstein
Department of Genome Sciences
University of Washington
Box 357730
Seattle, Washington 98195-7730, U.S.A.

Electronic mail addresses:      joe@gs.washington.edu


./arbsrc_9167/GDE/PHYLIP/doc/mix.html0000644012664100000130000003611111213220011016754 0ustar arb_buildcoders mix
version 3.6

MIX - Mixed method discrete characters parsimony

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

MIX is a general parsimony program which carries out the Wagner and Camin-Sokal parsimony methods in mixture, where each character can have its method specified separately. The program defaults to carrying out Wagner parsimony.

The Camin-Sokal parsimony method explains the data by assuming that changes 0 --> 1 are allowed but not changes 1 --> 0. Wagner parsimony allows both kinds of changes. (This under the assumption that 0 is the ancestral state, though the program allows reassignment of the ancestral state, in which case we must reverse the state numbers 0 and 1 throughout this discussion). The criterion is to find the tree which requires the minimum number of changes. The Camin-Sokal method is due to Camin and Sokal (1965) and the Wagner method to Eck and Dayhoff (1966) and to Kluge and Farris (1969).

Here are the assumptions of these two methods:

  1. Ancestral states are known (Camin-Sokal) or unknown (Wagner).
  2. Different characters evolve independently.
  3. Different lineages evolve independently.
  4. Changes 0 --> 1 are much more probable than changes 1 --> 0 (Camin-Sokal) or equally probable (Wagner).
  5. Both of these kinds of changes are a priori improbable over the evolutionary time spans involved in the differentiation of the group in question.
  6. Other kinds of evolutionary event such as retention of polymorphism are far less probable than 0 --> 1 changes.
  7. Rates of evolution in different lineages are sufficiently low that two changes in a long segment of the tree are far less probable than one change in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

INPUT FORMAT

The input for MIX is the standard input for discrete characters programs, described above in the documentation file for the discrete-characters programs. States "?", "P", and "B" are allowed.

The options are selected using a menu:


Mixed parsimony algorithm, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  X                     Use Mixed method?  No
  P                     Parsimony method?  Wagner
  J     Randomize input order of species?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  T              Use Threshold parsimony?  No, use ordinary parsimony
  A   Use ancestral states in input file?  No
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4     Print out steps in each character  No
  5     Print states at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The options U, X, J, O, T, A, and M are the usual User Tree, miXed methods, Jumble, Outgroup, Ancestral States, and Multiple Data Sets options, described either in the main documentation file or in the Discrete Characters Programs documentation file. The user-defined trees supplied if you use the U option must be given as rooted trees with two-way splits (bifurcations). The O option is acted upon only if the final tree is unrooted and is not a user-defined tree. One of the important uses of the the O option is to root the tree so that if there are any characters in which the ancestral states have not been specified, the program will print out a table showing which ancestral states require the fewest steps. Note that when any of the characters has Camin-Sokal parsimony assumed for it, the tree is rooted and the O option will have no effect.

The option P toggles between the Camin-Sokal parsimony criterion and the default Wagner parsimony criterion. Option X invokes mixed-method parsimony. If the A option is invoked, the ancestor is not to be counted as one of the species.

The F (Factors) option is not available in this program, as it would have no effect on the result even if that information were provided in the input file.

OUTPUT FORMAT

Output is standard: a list of equally parsimonious trees, which will be printed as rooted or unrooted depending on which is appropriate, and, if the user chooses, a table of the number of changes of state required in each character. If the Wagner option is in force for a character, it may not be possible to unambiguously locate the places on the tree where the changes occur, as there may be multiple possibilities. If the user selects menu option 5, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand.

If the Camin-Sokal parsimony method is invoked and the Ancestors option is also used, then the program will infer, for any character whose ancestral state is unknown ("?") whether the ancestral state 0 or 1 will give the fewest state changes. If these are tied, then it may not be possible for the program to infer the state in the internal nodes, and these will all be printed as ".". If this has happened and you want to know more about the states at the internal nodes, you will find helpful to use MOVE to display the tree and examine its interior states, as the algorithm in MOVE shows all that can be known in this case about the interior states, including where there is and is not amibiguity. The algorithm in MIX gives up more easily on displaying these states.

If the A option is not used, then the program will assume 0 as the ancestral state for those characters following the Camin-Sokal method, and will assume that the ancestral state is unknown for those characters following Wagner parsimony. If any characters have unknown ancestral states, and if the resulting tree is rooted (even by outgroup), a table will also be printed out showing the best guesses of which are the ancestral states in each character. You will find it useful to understand the difference between the Camin-Sokal parsimony criterion with unknown ancestral state and the Wagner parsimony criterion.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the best tree. This test, which is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences invented by Kishino and Hasegawa (1989), and uses the mean and variance of step differences between trees, taken across characters. If the mean is more than 1.96 standard deviations different then the trees are declared significantly different. The program prints out a table of the steps for each tree, the differences of each from the highest one, the variance of that quantity as determined by the step differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. It is important to understand that the test assumes that all the binary characters are evolving independently, which is unlikely to be true for many suites of morphological characters.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the best tree. This test, which is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences invented by Kishino and Hasegawa (1989), and uses the mean and variance of step differences between trees, taken across characters. If the mean is more than 1.96 standard deviations different then the trees are declared significantly different. The program prints out a table of the steps for each tree, the differences of each from the highest one, the variance of that quantity as determined by the step differences at individual characters, and a conclusion as to whether that tree is or is not significantly worse than the best one. It is important to understand that the test assumes that all the binary characters are evolving independently, which is unlikely to be true for many suites of morphological characters.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sums of steps across characters are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected number of steps, numbers of steps for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the lowest number of steps exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the number of steps for each tree, the differences of each from the lowest one, the variance of that quantity as determined by the differences of the numbers of steps at individual characters, and a conclusion as to whether that tree is or is not significantly worse than the best one.

At the beginning of the program is a constant, maxtrees, the maximum number of trees which the program will store for output.

The program is descended from earlier programs SOKAL and WAGNER which have long since been removed from the PHYLIP package, since MIX has all their capabilites and more.


TEST DATA SET

     5    6
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110


TEST SET OUTPUT (with all numerical options on)


Mixed parsimony algorithm, version 3.6a3

5 species, 6 characters

Wagner parsimony method


Name         Characters
----         ----------

Alpha        11011 0
Beta         11000 0
Gamma        10011 0
Delta        00100 1
Epsilon      00111 0



     4 trees in all found




           +--Epsilon   
     +-----4  
     !     +--Gamma     
  +--2  
  !  !     +--Delta     
--1  +-----3  
  !        +--Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of      9.000

steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       2   2   2   1   1   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                1?011 0
  1       2         no     .?... .
  2       4        maybe   .0... .
  4    Epsilon      yes    0.1.. .
  4    Gamma        no     ..... .
  2       3         yes    .?.00 .
  3    Delta        yes    001.. 1
  3    Beta        maybe   .1... .
  1    Alpha       maybe   .1... .





     +--------Gamma     
     !  
  +--2     +--Epsilon   
  !  !  +--4  
  !  +--3  +--Delta     
--1     !  
  !     +-----Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of      9.000

steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       1   2   1   2   2   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                1?011 0
  1       2         no     .?... .
  2    Gamma       maybe   .0... .
  2       3        maybe   .?.?? .
  3       4         yes    001?? .
  4    Epsilon     maybe   ...11 .
  4    Delta        yes    ...00 1
  3    Beta        maybe   .1.00 .
  1    Alpha       maybe   .1... .





     +--------Epsilon   
  +--4  
  !  !  +-----Gamma     
  !  +--2  
--1     !  +--Delta     
  !     +--3  
  !        +--Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of      9.000

steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       2   2   2   1   1   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                1?011 0
  1       4        maybe   .0... .
  4    Epsilon      yes    0.1.. .
  4       2         no     ..... .
  2    Gamma        no     ..... .
  2       3         yes    ...00 .
  3    Delta        yes    0.1.. 1
  3    Beta         yes    .1... .
  1    Alpha       maybe   .1... .





     +--------Gamma     
  +--2  
  !  !  +-----Epsilon   
  !  +--4  
--1     !  +--Delta     
  !     +--3  
  !        +--Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of      9.000

steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       2   2   2   1   1   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                1?011 0
  1       2        maybe   .0... .
  2    Gamma        no     ..... .
  2       4        maybe   ?.?.. .
  4    Epsilon     maybe   0.1.. .
  4       3         yes    ?.?00 .
  3    Delta        yes    0.1.. 1
  3    Beta         yes    110.. .
  1    Alpha       maybe   .1... .


./arbsrc_9167/GDE/PHYLIP/doc/move.html0000644012664100000130000003706311213220011017134 0ustar arb_buildcoders move

version 3.6

MOVE - Interactive mixed method parsimony

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

MOVE is an interactive parsimony program, inspired by Wayne Maddison and David Maddison's marvellous program MacClade, which is written for Apple Macintosh computers. MOVE reads in a data set which is prepared in almost the same format as one for the mixed method parsimony program MIX. It allows the user to choose an initial tree, and displays this tree on the screen. The user can look at different characters and the way their states are distributed on that tree, given the most parsimonious reconstruction of state changes for that particular tree. The user then can specify how the tree is to be rearraranged, rerooted or written out to a file. By looking at different rearrangements of the tree the user can manually search for the most parsimonious tree, and can get a feel for how different characters are affected by changes in the tree topology.

This program is compatible with fewer computer systems than the other programs in PHYLIP. It can be adapted to PCDOS systems or to any system whose screen or terminals emulate DEC VT100 terminals (such as Telnet programs for logging in to remote computers over a TCP/IP network, VT100-compatible windows in the X windowing system, and any terminal compatible with ANSI standard terminals). For any other screen types, there is a generic option which does not make use of screen graphics characters to display the character states. This will be less effective, as the states will be less easy to see when displayed.

The input data file is set up almost identically to the data files for MIX.

The user interaction starts with the program presenting a menu. The menu looks like this:


Interactive mixed parsimony algorithm, version 3.6a3

Settings for this run:
  X                         Use Mixed method?  No
  P                         Parsimony method?  Wagner
  A                     Use ancestral states?  No
  F                  Use factors information?  No
  O                            Outgroup root?  No, use as outgroup species   1
  W                           Sites weighted?  No
  T                  Use Threshold parsimony?  No, use ordinary parsimony
  U  Initial tree (arbitrary, user, specify)?  Arbitrary
  0       Graphics type (IBM PC, ANSI, none)?  (none)
  S                 Width of terminal screen?  80
  L                Number of lines on screen?  24

Are these settings correct? (type Y or the letter for one to change)

The P (Parsimony method) option selects among Wagner parsimony and Camin-Sokal parsimony. If X (miXed methods) is selected the P menu item disappears, as it is then irrelevant.

The X (miXed methods), A (Ancestors), F (Factors), O (Outgroup), T (Threshold), and 0 (Graphics type) options are the usual ones and are described in the main documentation page and in the discrete characters program documentation page. The L option allows the program to take advantage of larger screens if available. The U (initial tree) option allows the user to choose whether the initial tree is to be arbitrary, interactively specified by the user, or read from a tree file. Typing U causes the program to change among the three possibilities in turn. I would recommend that for a first run, you allow the tree to be set up arbitrarily (the default), as the "specify" choice is difficult to use and the "user tree" choice requires that you have available a tree file with the tree topology of the initial tree. Its default name is intree. The program will ask you for its name if it looks for the input tree file and does not find one of this name. If you wish to set up some particular tree you can also do that by the rearrangement commands specified below. The T (threshold) option allows a continuum of methods between parsimony and compatibility. Thresholds less than or equal to 1.0 do not have any meaning and should not be used: they will result in a tree dependent only on the input order of species and not at all on the data! Note that the usual W (Weights) option is not available in MOVE. We hope to add it soon. The F (Factors) option is available in this program. It is only used to inform the program which groups of characters are to be counted together in computing the number of characters compatible with the tree. Thus if three binary characters are all factors of the same multistate character, the multistate character will be counted as compatible with the tree only if all three factors are compatible with it.

After the initial menu is displayed and the choices are made, the program then sets up an initial tree and displays it. Below it will be a one-line menu of possible commands, which looks like this:

NEXT? (Options: R # + - S . T U W O F C H ? X Q) (H or ? for Help)

If you type H or ? you will get a single screen showing a description of each of these commands in a few words. Here are slightly more detailed descriptions:

R
("Rearrange"). This command asks for the number of a node which is to be removed from the tree. It and everything to the right of it on the tree is to be removed (by breaking the branch immediately below it). The command also asks for the number of a node below which that group is to be inserted. If an impossible number is given, the program refuses to carry out the rearrangement and asks for a new command. The rearranged tree is displayed: it will often have a different number of steps than the original. If you wish to undo a rearrangement, use the Undo command, for which see below.

#
This command, and the +, - and S commands described below, determine which character has its states displayed on the branches of the trees. The initial tree displayed by the program does not show states of sites. When # is typed, the program does not ask the user which character is to be shown but automatically shows the states of the next binary character that is not compatible with the tree (the next character that does not perfectly fit the current tree). The search for this character "wraps around" so that if it reaches the last character without finding one that is not compatible with the tree, the search continues at the first character; if no incompatible character is found the current character is shown, and if no current character is shown then the first character is shown. The display takes the form of different symbols or textures on the branches of the tree. The state of each branch is actually the state of the node above it. A key of the symbols or shadings used for states 0, 1 and ? are shown next to the tree. State ? means that either state 0 or state 1 could exist at that point on the tree, and that the user may want to consider the different possibilities, which are usually apparent by inspection.

+
This command is the same as # except that it goes forward one character, showing the states of the next character. If no character has been shown, using + will cause the first character to be shown. Once the last character has been reached, using + again will show the first character.

-
This command is the same as + except that it goes backwards, showing the states of the previous character. If no character has been shown, using - will cause the last character to be shown. Once character number 1 has been reached, using - again will show the last character.

S
("Show"). This command is the same as + and - except that it causes the program to ask you for the number of a character. That character is the one whose states will be displayed. If you give the character number as 0, the program will go back to not showing the states of the characters.

. (dot)
This command simply causes the current tree to be redisplayed. It is of use when the tree has partly disappeared off of the top of the screen owing to too many responses to commands being printed out at the bottom of the screen.

T
("Try rearrangements"). This command asks for the name of a node. The part of the tree at and above that node is removed from the tree. The program tries to re-insert it in each possible location on the tree (this may take some time, and the program reminds you to wait). Then it prints out a summary. For each possible location the program prints out the number of the node to the right of the place of insertion and the number of steps required in each case. These are divided into those that are better, tied, or worse than the current tree. Once this summary is printed out, the group that was removed is inserted into its original position. It is up to you to use the R command to actually carry out any the arrangements that have been tried.

U
("Undo"). This command reverses the effect of the most recent rearrangement, outgroup re-rooting, or flipping of branches. It returns to the previous tree topology. It will be of great use when rearranging the tree and when a rearrangement proves worse than the preceding one -- it permits you to abandon the new one and return to the previous one without remembering its topology in detail.

W
("Write"). This command writes out the current tree onto a tree output file. If the file already has been written to by this run of MOVE, it will ask you whether you want to replace the contents of the file, add the tree to the end of the file, or not write out the tree to the file. The tree is written in the standard format used by PHYLIP (a subset of the Newick standard). It is in the proper format to serve as the User-Defined Tree for setting up the initial tree in a subsequent run of the program. Note that if you provided the initial tree topology in a tree file and replace its contents, that initial tree will be lost.

O
("Outgroup"). This asks for the number of a node which is to be the outgroup. The tree will be redisplayed with that node as the left descendant of the bottom fork. Under some options (for example the Camin-Sokal parsimony method or the Ancestor state options), the number of steps required on the tree may change on re-rooting. Note that it is possible to use this to make a multi-species group the outgroup (i.e., you can give the number of an interior node of the tree as the outgroup, and the program will re-root the tree properly with that on the left of the bottom fork).

F
("Flip"). This asks for a node number and then flips the two branches at that node, so that the left-right order of branches at that node is changed. This does not actually change the tree topology (or the number of steps on that tree) but it does change the appearance of the tree.
.br
C
("Clade"). When the data consist of more than 12 species (or more than half the number of lines on the screen if this is not 24), it may be difficult to display the tree on one screen. In that case the tree will be squeezed down to one line per species. This is too small to see all the interior states of the tree. The C command instructs the program to print out only that part of the tree (the "clade") from a certain node on up. The program will prompt you for the number of this node. Remember that thereafter you are not looking at the whole tree. To go back to looking at the whole tree give the C command again and enter "0" for the node number when asked. Most users will not want to use this option unless forced to.

H
("Help"). Prints a one-screen summary of what the commands do, a few words for each command.

?
("huh?"). A synonym for H. Same as Help command.

X
("Exit"). Exit from program. If the current tree has not yet been saved into a file, the program will ask you whether it should be saved.

Q
("Quit"). A synonym for X. Same as the eXit command.

ADAPTING THE PROGRAM TO YOUR COMPUTER AND TO YOUR TERMINAL

As we have seen, the initial menu of the program allows you to choose among three screen types (PC, ANSI, and none). If you want to avoid having to make this choice every time, you can change some of the constants in the file phylip.h to have the terminal type initialize itself in the proper way, and recompile. The constants that need attention are ANSICRT and IBMCRT. Currently these are both set to "false" on Macintosh and on Unix/Linux systems, and IBMCRT is set to "true" on Windows systems. If your system has an ANSI compatible terminal, you might want to find the definition of ANSICRT in phylip.h and set it to "true", and IBMCRT to "false".

MORE ABOUT THE PARSIMONY CRITERION

MOVE uses as its numerical criterion the Wagner and Camin-Sokal parsimony methods in mixture, where each character can have its method specified separately. The program defaults to carrying out Wagner parsimony.

The Camin-Sokal parsimony method explains the data by assuming that changes 0 --> 1 are allowed but not changes 1 --> 0. Wagner parsimony allows both kinds of changes. (This under the assumption that 0 is the ancestral state, though the program allows reassignment of the ancestral state, in which case we must reverse the state numbers 0 and 1 throughout this discussion). The criterion is to find the tree which requires the minimum number of changes. The Camin- Sokal method is due to Camin and Sokal (1965) and the Wagner method to Eck and Dayhoff (1966) and to Kluge and Farris (1969).

Here are the assumptions of these two methods:

  1. Ancestral states are known (Camin-Sokal) or unknown (Wagner).
  2. Different characters evolve independently.
  3. Different lineages evolve independently.
  4. Changes 0 --> 1 are much more probable than changes 1 --> 0 (Camin-Sokal) or equally probable (Wagner).
  5. Both of these kinds of changes are a priori improbable over the evolutionary time spans involved in the differentiation of the group in question.
  6. Other kinds of evolutionary event such as retention of polymorphism are far less probable than 0 --> 1 changes.
  7. Rates of evolution in different lineages are sufficiently low that two changes in a long segment of the tree are far less probable than one change in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

Below is a test data set, but we cannot show the output it generates because of the interactive nature of the program.


TEST DATA SET

     5    6
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110
./arbsrc_9167/GDE/PHYLIP/doc/neighbor.html0000644012664100000130000002033011213220011017750 0ustar arb_buildcoders neighbor

version 3.6

NEIGHBOR -- Neighbor-Joining and UPGMA methods

© Copyright 1991-2000 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the Neighbor-Joining method of Nei and Saitou (1987) and the UPGMA method of clustering. The program was written by Mary Kuhner and Jon Yamato, using some code from program FITCH. An important part of the code was translated from FORTRAN code from the neighbor-joining program written by Naruya Saitou and by Li Jin, and is used with the kind permission of Drs. Saitou and Jin.

NEIGHBOR constructs a tree by successive clustering of lineages, setting branch lengths as the lineages join. The tree is not rearranged thereafter. The tree does not assume an evolutionary clock, so that it is in effect an unrooted tree. It should be somewhat similar to the tree obtained by FITCH. The program cannot evaluate a User tree, nor can it prevent branch lengths from becoming negative. However the algorithm is far faster than FITCH or KITSCH. This will make it particularly effective in their place for large studies or for bootstrap or jackknife resampling studies which require runs on multiple data sets.

The UPGMA option constructs a tree by successive (agglomerative) clustering using an average-linkage method of clustering. It has some relationship to KITSCH, in that when the tree topology turns out the same, the branch lengths with UPGMA will turn out to be the same as with the P = 0 option of KITSCH.

The options for NEIGHBOR are selected through the menu, which looks like this:


Neighbor-Joining/UPGMA method version 3.6a3

Settings for this run:
  N       Neighbor-joining or UPGMA tree?  Neighbor-joining
  O                        Outgroup root?  No, use as outgroup species  1
  L         Lower-triangular data matrix?  No
  R         Upper-triangular data matrix?  No
  S                        Subreplicates?  No
  J     Randomize input order of species?  No. Use input order
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes


  Y to accept these or type the letter for one to change

Most of the input options (L, R, S, J, and M) are as given in the Distance Matrix Programs documentation file, that file, and their input format is the same as given there. The O (Outgroup) option is described in the main documentation file of this package. It is not available when the UPGMA option is selected. The Jumble option (J) does not allow multiple jumbles (as most of the other programs that have it do), as there is no objective way of choosing which of the multiple results is best, there being no explicit criterion for optimality of the tree.

Option N chooses between the Neighbor-Joining and UPGMA methods. Option S is the usual Subreplication option. Here, however, it is present only to allow NEIGHBOR to read the input data: the number of replicates is actually ignored, even though it is read in. Note that this means that one cannot use it to have missing data in the input file, if NEIGHBOR is to be used.

The output consists of an tree (rooted if UPGMA, unrooted if Neighbor-Joining) and the lengths of the interior segments. The Average Percent Standard Deviation is not computed or printed out. If the tree found by Neighbor is fed into FITCH as a User Tree, it will compute this quantity if one also selects the N option of FITCH to ensure that none of the branch lengths is re-estimated.

As NEIGHBOR runs it prints out an account of the successive clustering levels, if you allow it to. This is mostly for reassurance and can be suppressed using menu option 2. In this printout of cluster levels the word "OTU" refers to a tip species, and the word "NODE" to an interior node of the resulting tree.

The constants available for modification at the beginning of the program are "namelength" which gives the length of a species name, and the usual boolean constants that initiliaze the terminal type. There is no feature saving multiply trees tied for best, partly because we do not expect exact ties except in cases where the branch lengths make the nature of the tie obvious, as when a branch is of zero length.

The major advantage of NEIGHBOR is its speed: it requires a time only proportional to the square of the number of species. It is significantly faster than version 3.5 of this program. By contrast FITCH and KITSCH require a time that rises as the fourth power of the number of species. Thus NEIGHBOR is well-suited to bootstrapping studies and to analysis of very large trees. Our simulation studies (Kuhner and Felsenstein, 1994) show that, contrary to statements in the literature by others, NEIGHBOR does not get as accurate an estimate of the phylogeny as does FITCH. However it does nearly as well, and in view of its speed this will make it a quite useful program.


TEST DATA SET

    7
Bovine      0.0000  1.6866  1.7198  1.6606  1.5243  1.6043  1.5905
Mouse       1.6866  0.0000  1.5232  1.4841  1.4465  1.4389  1.4629
Gibbon      1.7198  1.5232  0.0000  0.7115  0.5958  0.6179  0.5583
Orang       1.6606  1.4841  0.7115  0.0000  0.4631  0.5061  0.4710
Gorilla     1.5243  1.4465  0.5958  0.4631  0.0000  0.3484  0.3083
Chimp       1.6043  1.4389  0.6179  0.5061  0.3484  0.0000  0.2692
Human       1.5905  1.4629  0.5583  0.4710  0.3083  0.2692  0.0000


OUTPUT FROM TEST DATA SET (with all numerical options on)


   7 Populations

Neighbor-Joining/UPGMA method version 3.6a3


 Neighbor-joining method

 Negative branch lengths allowed


Name                       Distances
----                       ---------

Bovine        0.00000   1.68660   1.71980   1.66060   1.52430   1.60430
              1.59050
Mouse         1.68660   0.00000   1.52320   1.48410   1.44650   1.43890
              1.46290
Gibbon        1.71980   1.52320   0.00000   0.71150   0.59580   0.61790
              0.55830
Orang         1.66060   1.48410   0.71150   0.00000   0.46310   0.50610
              0.47100
Gorilla       1.52430   1.44650   0.59580   0.46310   0.00000   0.34840
              0.30830
Chimp         1.60430   1.43890   0.61790   0.50610   0.34840   0.00000
              0.26920
Human         1.59050   1.46290   0.55830   0.47100   0.30830   0.26920
              0.00000


  +---------------------------------------------Mouse     
  ! 
  !                        +---------------------Gibbon    
  1------------------------2 
  !                        !  +----------------Orang     
  !                        +--5 
  !                           ! +--------Gorilla   
  !                           +-4 
  !                             ! +--------Chimp     
  !                             +-3 
  !                               +------Human     
  ! 
  +------------------------------------------------------Bovine    


remember: this is an unrooted tree!

Between        And            Length
-------        ---            ------
   1          Mouse           0.76891
   1             2            0.42027
   2          Gibbon          0.35793
   2             5            0.04648
   5          Orang           0.28469
   5             4            0.02696
   4          Gorilla         0.15393
   4             3            0.03982
   3          Chimp           0.15167
   3          Human           0.11753
   1          Bovine          0.91769


./arbsrc_9167/GDE/PHYLIP/doc/pars.html0000644012664100000130000002535411213220011017133 0ustar arb_buildcoders pars

version 3.6

PARS - Discrete character parsimony

© Copyright 1986-2000 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

PARS is a general parsimony program which carries out the Wagner parsimony method with multiple states. Wagner parsimony allows changes among all states. The criterion is to find the tree which requires the minimum number of changes. The Wagner method was originated by Eck and Dayhoff (1966) and by Kluge and Farris (1969). Here are its assumptions:

  1. Ancestral states are unknown unknown.
  2. Different characters evolve independently.
  3. Different lineages evolve independently.
  4. Changes to all other states are equally probable (Wagner).
  5. These changes are a priori improbable over the evolutionary time spans involved in the differentiation of the group in question.
  6. Other kinds of evolutionary event such as retention of polymorphism are far less probable than these state changes.
  7. Rates of evolution in different lineages are sufficiently low that two changes in a long segment of the tree are far less probable than one change in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

INPUT FORMAT

The input for PARS is the standard input for discrete characters programs, described above in the documentation file for the discrete-characters programs, except that multiple states (up to 9 of them) are allowed. Any characters other than "?" are allowed as states, up to a maximum of 9 states. In fact, one can use different symbols in different columns of the data matrix, although it is rather unlikely that you would want to do that. The symbols you can use are:

  • The digits 0-9,
  • The letters A-Z and a-z,
  • The symbols "!\"#$%&'()*+,-./:;<=>?@\[\\]^_`\{|}~
    (of these, probably only + and - will be of interest to most users).
But note that these do not include blank (" "). Blanks in the input data are simply skipped by the program, so that they can be used to make characters into groups for ease of viewing. The "?" (question mark) symbol has special meaning. It is allowed in the input but is not available as the symbol of a state. Rather, it means that the state is unknown.

PARS can handle both bifurcating and multifurcating trees. In doing its search for most parsimonious trees, it adds species not only by creating new forks in the middle of existing branches, but it also tries putting them at the end of new branches which are added to existing forks. Thus it searches among both bifurcating and multifurcating trees. If a branch in a tree does not have any characters which might change in that branch in the most parsimonious tree, it does not save that tree. Thus in any tree that results, a branch exists only if some character has a most parsimonious reconstruction that would involve change in that branch.

It also saves a number of trees tied for best (you can alter the number it saves using the V option in the menu). When rearranging trees, it tries rearrangements of all of the saved trees. This makes the algorithm slower than earlier programs such as MIX.

The options are selected using a menu:


Discrete character parsimony algorithm, version 3.6

Setting for this run:
  U                 Search for best tree?  Yes
  S                        Search option?  More thorough search
  V              Number of trees to save?  100
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  T              Use Threshold parsimony?  No, use ordinary parsimony
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4          Print out steps in each site  No
  5  Print character at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file, with integer weights from 0 to 35 allowed by using the characters 0, 1, 2, ..., 9 and A, B, ... Z.

The User tree (option U) is read from a file whose default name is intree. The trees can be multifurcating. They must be preceded in the file by a line giving the number of trees in the file.

The options J, O, T, and M are the usual Jumble, Outgroup, Threshold parsimony, and Multiple Data Sets options, described either in the main documentation file or in the Discrete Characters Programs documentation file.

The M (multiple data sets option) will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights.

The O (outgroup) option will have no effect if the U (user-defined tree) option is in effect. The T (threshold) option allows a continuum of methods between parsimony and compatibility. Thresholds less than or equal to 1.0 do not have any meaning and should not be used: they will result in a tree dependent only on the input order of species and not at all on the data!

OUTPUT FORMAT

Output is standard: if option 1 is toggled on, the data is printed out, with the convention that "." means "the same as in the first species". Then comes a list of equally parsimonious trees. Each tree has branch lengths. These are computed using an algorithm published by Hochbaum and Pathria (1997) which I first heard of from Wayne Maddison who invented it independently of them. This algorithm averages the number of reconstructed changes of state over all sites a over all possible most parsimonious placements of the changes of state among branches. Note that it does not correct in any way for multiple changes that overlay each other.

If option 2 is toggled on a table of the number of changes of state required in each character is also printed. If option 5 is toggled on, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. This is a reconstruction of the ancestral sequences in the tree. If you choose option 5, a menu item D appears which gives you the opportunity to turn off dot-differencing so that complete ancestral sequences are shown. If the inferred state is a "?", there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand. If option 6 is left in its default state the trees found will be written to a tree file, so that they are available to be used in other programs.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the best tree. This test, which is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences due to Kishino and Hasegawa (1989), and uses the mean and variance of step differences between trees, taken across sites. If the mean is more than 1.96 standard deviations different then the trees are declared significantly different. The program prints out a table of the steps for each tree, the differences of each from the best one, the variance of that quantity as determined by the step differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. It is important to understand that the test assumes that all the discrete characters are evolving independently, which is unlikely to be true for many suites of morphological characters.

Option 6 in the menu controls whether the tree estimated by the program is written onto a tree file. The default name of this output tree file is "outtree". If the U option is in effect, all the user-defined trees are written to the output tree file.


TEST DATA SET

     5    6
Alpha     110110
Beta      110000
Gamma     100110
Delta     001001
Epsilon   001110


TEST SET OUTPUT (with all numerical options on)


Discrete character parsimony algorithm, version 3.6


One most parsimonious tree found:


                 +Epsilon   
       +---------3  
  +----2         +--------------Delta     
  |    |  
  |    +Gamma     
  |  
  1---------Beta      
  |  
  +Alpha     


requires a total of      8.000

  between      and       length
  -------      ---       ------
     1           2       0.166667
     2           3       0.333333
     3      Epsilon      0.000000
     3      Delta        0.500000
     2      Gamma        0.000000
     1      Beta         0.333333
     1      Alpha        0.000000

steps in each site:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0|       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                110110
   1      2         yes    .0....
   2      3         yes    0.1...
   3   Epsilon      no     ......
   3   Delta        yes    ...001
   2   Gamma        no     ......
   1   Beta         yes    ...00.
   1   Alpha        no     ......


./arbsrc_9167/GDE/PHYLIP/doc/penny.html0000644012664100000130000006110111213220011017305 0ustar arb_buildcoders penny

version 3.6

PENNY - Branch and bound to find
all most parsimonious trees

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

PENNY is a program that will find all of the most parsimonious trees implied by your data. It does so not by examining all possible trees, but by using the more sophisticated "branch and bound" algorithm, a standard computer science search strategy first applied to phylogenetic inference by Hendy and Penny (1982). (J. S. Farris [personal communication, 1975] had also suggested that this strategy, which is well-known in computer science, might be applied to phylogenies, but he did not publish this suggestion).

There is, however, a price to be paid for the certainty that one has found all members of the set of most parsimonious trees. The problem of finding these has been shown (Graham and Foulds, 1982; Day, 1983) to be NP-complete, which is equivalent to saying that there is no fast algorithm that is guaranteed to solve the problem in all cases (for a discussion of NP-completeness, see the Scientific American article by Lewis and Papadimitriou, 1978). The result is that this program, despite its algorithmic sophistication, is VERY SLOW.

The program should be slower than the other tree-building programs in the package, but useable up to about ten species. Above this it will bog down rapidly, but exactly when depends on the data and on how much computer time you have (it may be more effective in the hands of someone who can let a microcomputer grind all night than for someone who has the "benefit" of paying for time on the campus mainframe computer). IT IS VERY IMPORTANT FOR YOU TO GET A FEEL FOR HOW LONG THE PROGRAM WILL TAKE ON YOUR DATA. This can be done by running it on subsets of the species, increasing the number of species in the run until you either are able to treat the full data set or know that the program will take unacceptably long on it. (Making a plot of the logarithm of run time against species number may help to project run times).

The Algorithm

The search strategy used by PENNY starts by making a tree consisting of the first two species (the first three if the tree is to be unrooted). Then it tries to add the next species in all possible places (there are three of these). For each of the resulting trees it evaluates the number of steps. It adds the next species to each of these, again in all possible spaces. If this process would continue it would simply generate all possible trees, of which there are a very large number even when the number of species is moderate (34,459,425 with 10 species). Actually it does not do this, because the trees are generated in a particular order and some of them are never generated.

Actually the order in which trees are generated is not quite as implied above, but is a "depth-first search". This means that first one adds the third species in the first possible place, then the fourth species in its first possible place, then the fifth and so on until the first possible tree has been produced. Its number of steps is evaluated. Then one "backtracks" by trying the alternative placements of the last species. When these are exhausted one tries the next placement of the next-to-last species. The order of placement in a depth-first search is like this for a four-species case (parentheses enclose monophyletic groups):

     Make tree of first two species     (A,B)
          Add C in first place     ((A,B),C)
               Add D in first place     (((A,D),B),C)
               Add D in second place     ((A,(B,D)),C)
               Add D in third place     (((A,B),D),C)
               Add D in fourth place     ((A,B),(C,D))
               Add D in fifth place     (((A,B),C),D)
          Add C in second place: ((A,C),B)
               Add D in first place     (((A,D),C),B)
               Add D in second place     ((A,(C,D)),B)
               Add D in third place     (((A,C),D),B)
               Add D in fourth place     ((A,C),(B,D))
               Add D in fifth place     (((A,C),B),D)
          Add C in third place     (A,(B,C))
               Add D in first place     ((A,D),(B,C))
               Add D in second place     (A,((B,D),C))
               Add D in third place     (A,(B,(C,D)))
               Add D in fourth place     (A,((B,C),D))
               Add D in fifth place     ((A,(B,C)),D)

Among these fifteen trees you will find all of the four-species rooted bifurcating trees, each exactly once (the parentheses each enclose a monophyletic group). As displayed above, the backtracking depth-first search algorithm is just another way of producing all possible trees one at a time. The branch and bound algorithm consists of this with one change. As each tree is constructed, including the partial trees such as (A,(B,C)), its number of steps is evaluated. In addition a prediction is made as to how many steps will be added, at a minimum, as further species are added.

This is done by counting how many binary characters which are invariant in the data up the species most recently added will ultimately show variation when further species are added. Thus if 20 characters vary among species A, B, and C and their root, and if tree ((A,C),B) requires 24 steps, then if there are 8 more characters which will be seen to vary when species D is added, we can immediately say that no matter how we add D, the resulting tree can have no less than 24 + 8 = 32 steps. The point of all this is that if a previously-found tree such as ((A,B),(C,D)) required only 30 steps, then we know that there is no point in even trying to add D to ((A,C),B). We have computed the bound that enables us to cut off a whole line of inquiry (in this case five trees) and avoid going down that particular branch any farther.

The branch-and-bound algorithm thus allows us to find all most parsimonious trees without generating all possible trees. How much of a saving this is depends strongly on the data. For very clean (nearly "Hennigian") data, it saves much time, but on very messy data it will still take a very long time.

The algorithm in the program differs from the one outlined here in some essential details: it investigates possibilities in the order of their apparent promise. This applies to the order of addition of species, and to the places where they are added to the tree. After the first two-species tree is constructed, the program tries adding each of the remaining species in turn, each in the best possible place it can find. Whichever of those species adds (at a minimum) the most additional steps is taken to be the one to be added next to the tree. When it is added, it is added in turn to places which cause the fewest additional steps to be added. This sounds a bit complex, but it is done with the intention of eliminating regions of the search of all possible trees as soon as possible, and lowering the bound on tree length as quickly as possible.

The program keeps a list of all the most parsimonious trees found so far. Whenever it finds one that has fewer steps than these, it clears out the list and restarts the list with that tree. In the process the bound tightens and fewer possibilities need be investigated. At the end the list contains all the shortest trees. These are then printed out. It should be mentioned that the program CLIQUE for finding all largest cliques also works by branch-and-bound. Both problems are NP-complete but for some reason CLIQUE runs far faster. Although their worst-case behavior is bad for both programs, those worst cases occur far more frequently in parsimony problems than in compatibility problems.

Controlling Run Times

Among the quantities available to be set at the beginning of a run of PENNY, two (howoften and howmany) are of particular importance. As PENNY goes along it will keep count of how many trees it has examined. Suppose that howoften is 100 and howmany is 1000, the default settings. Every time 100 trees have been examined, PENNY will print out a line saying how many multiples of 100 trees have now been examined, how many steps the most parsimonious tree found so far has, how many trees of with that number of steps have been found, and a very rough estimate of what fraction of all trees have been looked at so far.

When the number of these multiples printed out reaches the number howmany (say 1000), the whole algorithm aborts and prints out that it has not found all most parsimonious trees, but prints out what is has got so far anyway. These trees need not be any of the most parsimonious trees: they are simply the most parsimonious ones found so far. By setting the product (howoften times howmany) large you can make the algorithm less likely to abort, but then you risk getting bogged down in a gigantic computation. You should adjust these constants so that the program cannot go beyond examining the number of trees you are reasonably willing to wait for. In their initial setting the program will abort after looking at 100,000 trees. Obviously you may want to adjust howoften in order to get more or fewer lines of intermediate notice of how many trees have been looked at so far. Of course, in small cases you may never even reach the first multiple of howoften and nothing will be printed out except some headings and then the final trees.

The indication of the approximate percentage of trees searched so far will be helpful in judging how much farther you would have to go to get the full search. Actually, since that fraction is the fraction of the set of all possible trees searched or ruled out so far, and since the search becomes progressively more efficient, the approximate fraction printed out will usually be an underestimate of how far along the program is, sometimes a serious underestimate.

A constant that affects the result is "maxtrees", which controls the maximum number of trees that can be stored. Thus if "maxtrees" is 25, and 32 most parsimonious trees are found, only the first 25 of these are stored and printed out. If "maxtrees" is increased, the program does not run any slower but requires a little more intermediate storage space. I recommend that "maxtrees" be kept as large as you can, provided you are willing to look at an output with that many trees on it! Initially, "maxtrees" is set to 100 in the distribution copy.

Methods and Options

The counting of the length of trees is done by an algorithm nearly identical to the corresponding algorithms in MIX, and thus the remainder of this document will be nearly identical to the MIX document. MIX is a general parsimony program which carries out the Wagner and Camin-Sokal parsimony methods in mixture, where each character can have its method specified. The program defaults to carrying out Wagner parsimony.

The Camin-Sokal parsimony method explains the data by assuming that changes 0 --> 1 are allowed but not changes 1 --> 0. Wagner parsimony allows both kinds of changes. (This under the assumption that 0 is the ancestral state, though the program allows reassignment of the ancestral state, in which case we must reverse the state numbers 0 and 1 throughout this discussion). The criterion is to find the tree which requires the minimum number of changes. The Camin-Sokal method is due to Camin and Sokal (1965) and the Wagner method to Eck and Dayhoff (1966) and to Kluge and Farris (1969).

Here are the assumptions of these two methods:

  1. Ancestral states are known (Camin-Sokal) or unknown (Wagner).
  2. Different characters evolve independently.
  3. Different lineages evolve independently.
  4. Changes 0 --> 1 are much more probable than changes 1 --> 0 (Camin-Sokal) or equally probable (Wagner).
  5. Both of these kinds of changes are a priori improbable over the evolutionary time spans involved in the differentiation of the group in question.
  6. Other kinds of evolutionary event such as retention of polymorphism are far less probable than 0 --> 1 changes.
  7. Rates of evolution in different lineages are sufficiently low that two changes in a long segment of the tree are far less probable than one change in a short segment.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the papers by Farris (1983) and Sober (1983a, 1983b), but also read the exchange between Felsenstein and Sober (1986).

The input for PENNY is the standard input for discrete characters programs, described above in the documentation file for the discrete-characters programs. States "?", "P", and "B" are allowed.

Most of the options are selected using a menu:


Penny algorithm, version 3.6a3
 branch-and-bound to find all most parsimonious trees

Settings for this run:
  X                     Use Mixed method?  No
  P                     Parsimony method?  Wagner
  F        How often to report, in trees:  100
  H        How many groups of  100 trees:  1000
  O                        Outgroup root?  No, use as outgroup species  1
  S           Branch and bound is simple?  Yes
  T              Use Threshold parsimony?  No, use ordinary parsimony
  A   Use ancestral states in input file?  No
  W                       Sites weighted?  No
  M           Analyze multiple data sets?  No
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4     Print out steps in each character  No
  5     Print states at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The options X, O, T, A, and M are the usual Mixed Methods, Outgroup, Threshold, Ancestral States, and Multiple Data Sets options. They are described in the Main documentation file and in the Discrete Characters Programs documentation file. The O option is only acted upon if the final tree is unrooted.

The option P toggles between the Camin-Sokal parsimony criterion and the Wagner parsimony criterion. Options F and H reset the variables howoften (F) and howmany (H). The user is prompted for the new values. By setting these larger the program will report its progress less often (howoften) and will run longer (howmany times howoften). These values default to 100 and 1000 which guarantees a search of 100,000 trees, but these can be changed. Note that option F in this program is not the Factors option available in some of the other programs in this section of the package.

The A (Ancestral states) option works in the usual way, described in the Discrete Characters Programs documentation file. If the A option is not used, then the program will assume 0 as the ancestral state for those characters following the Camin-Sokal method, and will assume that the ancestral state is unknown for those characters following Wagner parsimony. If any characters have unknown ancestral states, and if the resulting tree is rooted (even by outgroup), a table will be printed out showing the best guesses of which are the ancestral states in each character.

The S (Simple) option alters a step in PENNY which reconsiders the order in which species are added to the tree. Normally the decision as to what species to add to the tree next is made as the first tree is being constructed; that ordering of species is not altered subsequently. The S option causes it to be continually reconsidered. This will probably result in a substantial increase in run time, but on some data sets of intermediate messiness it may help. It is included in case it might prove of use on some data sets.

The F (Factors) option is not available in this program, as it would have no effect on the result even if that information were provided in the input file.

The final output is standard: a set of trees, which will be printed as rooted or unrooted depending on which is appropriate, and if the user elects to see them, tables of the number of changes of state required in each character. If the Wagner option is in force for a character, it may not be possible to unambiguously locate the places on the tree where the changes occur, as there may be multiple possibilities. A table is available to be printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand.

If the Camin-Sokal parsimony method (option C or S) is invoked and the A option is also used, then the program will infer, for any character whose ancestral state is unknown ("?") whether the ancestral state 0 or 1 will give the fewest state changes. If these are tied, then it may not be possible for the program to infer the state in the internal nodes, and these will all be printed as ".". If this has happened and you want to know more about the states at the internal nodes, you will find helpful to use MOVE to display the tree and examine its interior states, as the algorithm in MOVE shows all that can be known in this case about the interior states, including where there is and is not amibiguity. The algorithm in PENNY gives up more easily on displaying these states.

If the A option is not used, then the program will assume 0 as the ancestral state for those characters following the Camin-Sokal method, and will assume that the ancestral state is unknown for those characters following Wagner parsimony. If any characters have unknown ancestral states, and if the resulting tree is rooted (even by outgroup), a table will be printed out showing the best guesses of which are the ancestral states in each character. You will find it useful to understand the difference between the Camin-Sokal parsimony criterion with unknown ancestral state and the Wagner parsimony criterion.

At the beginning of the program are a series of constants, which can be changed to help adapt the program to different computer systems. Two are the initial values of howmany and howoften, constants "often" and "many". Constant "maxtrees" is the maximum number of tied trees that will be stored.


TEST DATA SET

    7    6
Alpha1    110110
Alpha2    110110
Beta1     110000
Beta2     110000
Gamma1    100110
Delta     001001
Epsilon   001110


TEST SET OUTPUT (with all numerical options turned on)


Penny algorithm, version 3.6a3
 branch-and-bound to find all most parsimonious trees

 7 species,   6 characters
Wagner parsimony method


Name         Characters
----         ----------

Alpha1       11011 0
Alpha2       11011 0
Beta1        11000 0
Beta2        11000 0
Gamma1       10011 0
Delta        00100 1
Epsilon      00111 0



requires a total of              8.000

    3 trees in all found




  +-----------------Alpha1    
  !  
  !        +--------Alpha2    
--1        !  
  !  +-----4     +--Epsilon   
  !  !     !  +--6  
  !  !     +--5  +--Delta     
  +--2        !  
     !        +-----Gamma1    
     !  
     !           +--Beta2     
     +-----------3  
                 +--Beta1     

  remember: this is an unrooted tree!


steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                11011 0
  1    Alpha1       no     ..... .
  1       2         no     ..... .
  2       4         no     ..... .
  4    Alpha2       no     ..... .
  4       5         yes    .0... .
  5       6         yes    0.1.. .
  6    Epsilon      no     ..... .
  6    Delta        yes    ...00 1
  5    Gamma1       no     ..... .
  2       3         yes    ...00 .
  3    Beta2        no     ..... .
  3    Beta1        no     ..... .




  +-----------------Alpha1    
  !  
--1  +--------------Alpha2    
  !  !  
  !  !           +--Epsilon   
  +--2        +--6  
     !  +-----5  +--Delta     
     !  !     !  
     +--4     +-----Gamma1    
        !  
        !        +--Beta2     
        +--------3  
                 +--Beta1     

  remember: this is an unrooted tree!


steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                11011 0
  1    Alpha1       no     ..... .
  1       2         no     ..... .
  2    Alpha2       no     ..... .
  2       4         no     ..... .
  4       5         yes    .0... .
  5       6         yes    0.1.. .
  6    Epsilon      no     ..... .
  6    Delta        yes    ...00 1
  5    Gamma1       no     ..... .
  4       3         yes    ...00 .
  3    Beta2        no     ..... .
  3    Beta1        no     ..... .




  +-----------------Alpha1    
  !  
  !           +-----Alpha2    
--1  +--------2  
  !  !        !  +--Beta2     
  !  !        +--3  
  +--4           +--Beta1     
     !  
     !           +--Epsilon   
     !        +--6  
     +--------5  +--Delta     
              !  
              +-----Gamma1    

  remember: this is an unrooted tree!


steps in each character:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       1   1   1   2   2   1            

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)

          1                11011 0
  1    Alpha1       no     ..... .
  1       4         no     ..... .
  4       2         no     ..... .
  2    Alpha2       no     ..... .
  2       3         yes    ...00 .
  3    Beta2        no     ..... .
  3    Beta1        no     ..... .
  4       5         yes    .0... .
  5       6         yes    0.1.. .
  6    Epsilon      no     ..... .
  6    Delta        yes    ...00 1
  5    Gamma1       no     ..... .

./arbsrc_9167/GDE/PHYLIP/doc/phylip.gif0000644012664100000130000000163611213220011017271 0ustar arb_buildcodersGIF87a€€ñÿÿQQûÿÿÿ,€€þœ©Ëí£œ´Ú+Þû† G≦Î&òjí‹1Í÷ î|Äâp ⣓¦ÉE…ͧSH Ú³z OJ—é¨äˆ×™nÚüžÙtÆ´ŒÈë|Å=¯$—5HXÒòèUÈÈxˆ˜¤è%ØXùˆ'©¹©v‰É)èù‰•9šÚ9g ©ú:ÔŠùš+ëJ«¹w{”«(È›BöKÊ"<Œú+(€¬òUì"à<ÚÊ\ͤª½ÝÓ-*× N$lnT9X¾nDÙ&?HMŸ¯¿ÏßïÏ6ˆBÀ1Y(Ø«3°!‚ %¤“0BÄ'<XQ! þ#\\3ñAÈ!|3rDI‘+œ “’ÁK’$Þyli%æ‚UlºÌ‚Ï!Î':Øói4 Òò–æÚàèÏN§öDU%U™E¹ÖÄÚ°‚;öXÜ 1+Ív1È š eWsµ²-eQž]5 êrQËò{mð{0EK ÊUü7lcG Æ›X2S (¯5'b©'<ÛA{ÙìaÈH‹0íGíÌÌW'ðäûšu_¥&E£Žpô)ÍƬ›6¸ƒ“¯6nõXËÅ¿–†.‘÷Yë¨o'îVwpÊò;*ä²U{·k˜{nðÓÇNn³óèÂþ è±ßÜ<˜”À\ wR`x…Ì'_/Ò§à~d¥§ßƒª‰0ÛpmÉ`Þ‚ÖH¸vÞ• ƒZP"тڙ(âu'ªâi5Ƈ[1z"77Z4ãã!ác2JÇ!…‹mèƒw)°ÅÙ1)Ãy3( $•W¾˜Œ‘"©"–6j™dƒrydŽg’¹%šzYž”ÀYÙ™œîX&žbÙy”O˜×%›ºIĘ]`a¢„a^~)š¨£E.º'¤‘ÒÑ¡¤ÇYúŒh:&§öñé}¢VªŽ…¤JשøµR*¢®ÂêS´Ê g?±V§æ?›ÖÆ ¾Ææá£ý Kz,€KöŠlj`þÚl°Jå'æ>¨VU­µ³m¨¢vkÁ¬à†{길Bj®†¦‹^¢ì¶b®ïJ{ì¼íÊkï²õæK.¾ü¦öoþœ,³÷+ìÁÆr«ð” 7Œã¾<ñ¹W1ÇøðÆ¡ q¶‹ü/ÉüšìC;./arbsrc_9167/GDE/PHYLIP/doc/proml.html0000644012664100000130000010221711213220011017311 0ustar arb_buildcoders dnaml

version 3.6

ProML -- Protein Maximum Likelihood program

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the maximum likelihood method for protein amino acid sequences. It uses the either the Jones-Taylor-Thornton or the Dayhoff probability model of change between amino acids. The assumptions of these present models are:

  1. Each position in the sequence evolves independently.
  2. Different lineages evolve independently.
  3. Each position undergoes substitution at an expected rate which is chosen from a series of rates (each with a probability of occurrence) which we specify.
  4. All relevant positions are included in the sequence, not just those that have changed or those that are "phylogenetically informative".
  5. The probabilities of change between amino acids are given by the model of Jones, Taylor, and Thornton (1992) or by the PAM model of Dayhoff (Dayhoff and Eck, 1968; Dayhoff et. al., 1979).

Note the assumption that we are looking at all positions, including those that have not changed at all. It is important not to restrict attention to some positions based on whether or not they have changed; doing that would bias branch lengths by making them too long, and that in turn would cause the method to misinterpret the meaning of those positions that had changed.

This program uses a Hidden Markov Model (HMM) method of inferring different rates of evolution at different amino acid positions. This was described in a paper by me and Gary Churchill (1996). It allows us to specify to the program that there will be a number of different possible evolutionary rates, what the prior probabilities of occurrence of each is, and what the average length of a patch of positions all having the same rate. The rates can also be chosen by the program to approximate a Gamma distribution of rates, or a Gamma distribution plus a class of invariant positions. The program computes the the likelihood by summing it over all possible assignments of rates to positions, weighting each by its prior probability of occurrence.

For example, if we have used the C and A options (described below) to specify that there are three possible rates of evolution, 1.0, 2.4, and 0.0, that the prior probabilities of a position having these rates are 0.4, 0.3, and 0.3, and that the average patch length (number of consecutive positions with the same rate) is 2.0, the program will sum the likelihood over all possibilities, but giving less weight to those that (say) assign all positions to rate 2.4, or that fail to have consecutive positions that have the same rate.

The Hidden Markov Model framework for rate variation among positions was independently developed by Yang (1993, 1994, 1995). We have implemented a general scheme for a Hidden Markov Model of rates; we allow the rates and their prior probabilities to be specified arbitrarily by the user, or by a discrete approximation to a Gamma distribution of rates (Yang, 1995), or by a mixture of a Gamma distribution and a class of invariant positions.

This feature effectively removes the artificial assumption that all positions have the same rate, and also means that we need not know in advance the identities of the positions that have a particular rate of evolution.

Another layer of rate variation also is available. The user can assign categories of rates to each positions (for example, we might want amino acid positions in the active site of a protein to change more slowly than other positions. This is done with the categories input file and the C option. We then specify (using the menu) the relative rates of evolution of amino acid positions in the different categories. For example, we might specify that positions in the active site evolve at relative rates of 0.2 compared to 1.0 at other positions. If we are assuming that a particular position maintains a cysteine bridge to another, we may want to put it in a category of positions (including perhaps the initial position of the protein sequence which maintains methionine) which changes at a rate of 0.0.

If both user-assigned rate categories and Hidden Markov Model rates are allowed, the program assumes that the actual rate at a position is the product of the user-assigned category rate and the Hidden Markov Model regional rate. (This may not always make perfect biological sense: it would be more natural to assume some upper bound to the rate, as we have discussed in the Felsenstein and Churchill paper). Nevertheless you may want to use both types of rate variation.

INPUT FORMAT AND OPTIONS

Subject to these assumptions, the program is a correct maximum likelihood method. The input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of amino acid positions.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter amino acid code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:

Amino acid sequence Maximum Likelihood method, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  P   JTT or PAM amino acid change model?  Jones-Taylor-Thornton model
  C                One category of sites?  Yes
  R           Rate variation among sites?  constant rate of change
  W                       Sites weighted?  No
  S        Speedier but rougher analysis?  Yes
  G                Global rearrangements?  No
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes
  5   Reconstruct hypothetical sequences?  No

  Y to accept these or type the letter for one to change

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options U, W, J, O, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The P option toggles between two models of amino acid change. One is the Jones-Taylor-Thornton model, the other the Dayhoff PAM matrix model. These are both based on Margaret Dayhoff's (Dayhoff and Eck, 1968; Dayhoff et. al., 1979) method of empirical tabulation of changes of amino acid sequences, and conversion of these to a probability model of amino acid change which is used to make a transition probability matrix which allows prediction of the probability of changing from any one amino acid to any other, and also predicts equilibrium amino acid composition.

The default method is that of Jones, Taylor, and Thornton (1992). This is similar to the Dayhoff PAM model, except that it is based on a recounting of the number of observed changes in amino acids, using a much larger sample of protein sequences than did Dayhoff. Because its sample is so much larger this model is to be preferred over the original Dayhoff PAM model. The Dayhoff model uses Dayhoff's PAM 001 matrix from Dayhoff et. al. (1979), page 348.

The R (Hidden Markov Model rates) option allows the user to approximate a Gamma distribution of rates among positions, or a Gamma distribution plus a class of invariant positions, or to specify how many categories of substitution rates there will be in a Hidden Markov Model of rate variation, and what are the rates and probabilities for each. By repeatedly selecting the R option one toggles among no rate variation, the Gamma, Gamma+I, and general HMM possibilities.

If you choose Gamma or Gamma+I the program will ask how many rate categories you want. If you have chosen Gamma+I, keep in mind that one rate category will be set aside for the invariant class and only the remaining ones used to approximate the Gamma distribution. For the approximation we do not use the quantile method of Yang (1995) but instead use a quadrature method using generalized Laguerre polynomials. This should give a good approximation to the Gamma distribution with as few as 5 or 6 categories.

In the Gamma and Gamma+I cases, the user will be asked to supply the coefficient of variation of the rate of substitution among positions. This is different from the parameters used by Nei and Jin (1990) but related to them: their parameter a is also known as "alpha", the shape parameter of the Gamma distribution. It is related to the coefficient of variation by

     CV = 1 / a1/2

or

     a = 1 / (CV)2

(their parameter b is absorbed here by the requirement that time is scaled so that the mean rate of evolution is 1 per unit time, which means that a = b). As we consider cases in which the rates are less variable we should set a larger and larger, as CV gets smaller and smaller.

If the user instead chooses the general Hidden Markov Model option, they are first asked how many HMM rate categories there will be (for the moment there is an upper limit of 9, which should not be restrictive). Then the program asks for the rates for each category. These rates are only meaningful relative to each other, so that rates 1.0, 2.0, and 2.4 have the exact same effect as rates 2.0, 4.0, and 4.8. Note that an HMM rate category can have rate of change 0, so that this allows us to take into account that there may be a category of amino acid positions that are invariant. Note that the run time of the program will be proportional to the number of HMM rate categories: twice as many categories means twice as long a run. Finally the program will ask for the probabilities of a random amino acid position falling into each of these regional rate categories. These probabilities must be nonnegative and sum to 1. Default for the program is one category, with rate 1.0 and probability 1.0 (actually the rate does not matter in that case).

If more than one HMM rate category is specified, then another option, A, becomes visible in the menu. This allows us to specify that we want to assume that positions that have the same HMM rate category are expected to be clustered so that there is autocorrelation of rates. The program asks for the value of the average patch length. This is an expected length of patches that have the same rate. If it is 1, the rates of successive positions will be independent. If it is, say, 10.25, then the chance of change to a new rate will be 1/10.25 after every position. However the "new rate" is randomly drawn from the mix of rates, and hence could even be the same. So the actual observed length of patches with the same rate will be a bit larger than 10.25. Note below that if you choose multiple patches, there will be an estimate in the output file as to which combination of rate categories contributed most to the likelihood.

Note that the autocorrelation scheme we use is somewhat different from Yang's (1995) autocorrelated Gamma distribution. I am unsure whether this difference is of any importance -- our scheme is chosen for the ease with which it can be implemented.

The C option allows user-defined rate categories. The user is prompted for the number of user-defined rates, and for the rates themselves, which cannot be negative but can be zero. These numbers, which must be nonnegative (some could be 0), are defined relative to each other, so that if rates for three categories are set to 1 : 3 : 2.5 this would have the same meaning as setting them to 2 : 6 : 5. The assignment of rates to amino acid positions is then made by reading a file whose default name is "categories". It should contain a string of digits 1 through 9. A new line or a blank can occur after any character in this string. Thus the categories file might look like this:

122231111122411155
1155333333444

With the current options R, A, and C the program has a good ability to infer different rates at different positions and estimate phylogenies under a more realistic model. Note that Likelihood Ratio Tests can be used to test whether one combination of rates is significantly better than another, provided one rate scheme represents a restriction of another with fewer parameters. The number of parameters needed for rate variation is the number of regional rate categories, plus the number of user-defined rate categories less 2, plus one if the regional rate categories have a nonzero autocorrelation.

The G (global search) option causes, after the last species is added to the tree, each possible group to be removed and re-added. This improves the result, since the position of every species is reconsidered. It approximately triples the run-time of the program.

The User tree (option U) is read from a file whose default name is intree. The trees can be multifurcating. They must be preceded in the file by a line giving the number of trees in the file.

If the U (user tree) option is chosen another option appears in the menu, the L option. If it is selected, it signals the program that it should take any branch lengths that are in the user tree and simply evaluate the likelihood of that tree, without further altering those branch lengths. This means that if some branches have lengths and others do not, the program will estimate the lengths of those that do not have lengths given in the user tree. Note that the program RETREE can be used to add and remove lengths from a tree.

The U option can read a multifurcating tree. This allows us to test the hypothesis that a certain branch has zero length (we can also do this by using RETREE to set the length of that branch to 0.0 when it is present in the tree). By doing a series of runs with different specified lengths for a branch we can plot a likelihood curve for its branch length while allowing all other branches to adjust their lengths to it. If all branches have lengths specified, none of them will be iterated. This is useful to allow a tree produced by another method to have its likelihood evaluated. The L option has no effect and does not appear in the menu if the U option is not used.

The W (Weights) option is invoked in the usual way, with only weights 0 and 1 allowed. It selects a set of positions to be analyzed, ignoring the others. The positions selected are those with weight 1. If the W option is not invoked, all positions are analyzed. The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file.

The M (multiple data sets) option will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets from the input file. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights. Note also that when we use multiple weights for bootstrapping we can also then maintain different rate categories for different positions in a meaningful way. You should not use the multiple data sets option without using multiple weights, you should not at the same time use the user-defined rate categories option (option C).

The algorithm used for searching among trees uses a technique invented by David Swofford and J. S. Rogers. This involves not iterating most branch lengths on most trees when searching among tree topologies, This is of necessity a "quick-and-dirty" search but it saves much time. There is a menu option (option S) which can turn off this search and revert to the earlier search method which iterated branch lengths in all topologies. This will be substantially slower but will also be a bit more likely to find the tree topology of highest likelihood. If the Swofford/Rogers search finds the best tree topology, the branch lengths inferred will be almost precisely the same as they would be with the more thorough search, as the maximization of likelihood with respect to branch lengths for the final tree is not different in the two kinds of search.

OUTPUT FORMAT

The output starts by giving the number of species and the number of amino acid positions.

If the R (HMM rates) option is used a table of the relative rates of expected substitution at each category of positions is printed, as well as the probabilities of each of those rates.

There then follow the data sequences, if the user has selected the menu option to print them, with the sequences printed in groups of ten amino acids. The trees found are printed as an unrooted tree topology (possibly rooted by outgroup if so requested). The internal nodes are numbered arbitrarily for the sake of identification. The number of trees evaluated so far and the log likelihood of the tree are also given. Note that the trees printed out have a trifurcation at the base. The branch lengths in the diagram are roughly proportional to the estimated branch lengths, except that very short branches are printed out at least three characters in length so that the connections can be seen. The unit of branch length is the expected fraction of amino acids changed (so that 1.0 is 100 PAMs).

A table is printed showing the length of each tree segment (in units of expected amino acid substitutions per position), as well as (very) rough confidence limits on their lengths. If a confidence limit is negative, this indicates that rearrangement of the tree in that region is not excluded, while if both limits are positive, rearrangement is still not necessarily excluded because the variance calculation on which the confidence limits are based results in an underestimate, which makes the confidence limits too narrow.

In addition to the confidence limits, the program performs a crude Likelihood Ratio Test (LRT) for each branch of the tree. The program computes the ratio of likelihoods with and without this branch length forced to zero length. This done by comparing the likelihoods changing only that branch length. A truly correct LRT would force that branch length to zero and also allow the other branch lengths to adjust to that. The result would be a likelihood ratio closer to 1. Therefore the present LRT will err on the side of being too significant. YOU ARE WARNED AGAINST TAKING IT TOO SERIOUSLY. If you want to get a better likelihood curve for a branch length you can do multiple runs with different prespecified lengths for that branch, as discussed above in the discussion of the L option.

One should also realize that if you are looking not at a previously-chosen branch but at all branches, that you are seeing the results of multiple tests. With 20 tests, one is expected to reach significance at the P = .05 level purely by chance. You should therefore use a much more conservative significance level, such as .05 divided by the number of tests. The significance of these tests is shown by printing asterisks next to the confidence interval on each branch length. It is important to keep in mind that both the confidence limits and the tests are very rough and approximate, and probably indicate more significance than they should. Nevertheless, maximum likelihood is one of the few methods that can give you any indication of its own error; most other methods simply fail to warn the user that there is any error! (In fact, whole philosophical schools of taxonomists exist whose main point seems to be that there isn't any error, that the "most parsimonious" tree is the best tree by definition and that's that).

The log likelihood printed out with the final tree can be used to perform various likelihood ratio tests. One can, for example, compare runs with different values of the relative rate of change in the active site and in the rest of the protein to determine which value is the maximum likelihood estimate, and what is the allowable range of values (using a likelihood ratio test, which you will find described in mathematical statistics books). One could also estimate the base frequencies in the same way. Both of these, particularly the latter, require multiple runs of the program to evaluate different possible values, and this might get expensive.

If the U (User Tree) option is used and more than one tree is supplied, and the program is not told to assume autocorrelation between the rates at different amino acid positions, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of log-likelihood differences between trees, taken across amino acid positions. If the two trees' means are more than 1.96 standard deviations different then the trees are declared significantly different. This use of the empirical variance of log-likelihood differences is more robust and nonparametric than the classical likelihood ratio test, and may to some extent compensate for the any lack of realism in the model underlying this program.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sum of log likelihoods across amino acid positions are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected log-likelihood, log-likelihoods for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest log-likelihood exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the log-likelihoods of each tree, the differences of each from the highest one, the variance of that quantity as determined by the log-likelihood differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. However the test is not available if we assume that there is autocorrelation of rates at neighboring positions (option A) and is not done in those cases.

The branch lengths printed out are scaled in terms of expected numbers of amino acid substitutions, scaled so that the average rate of change, averaged over all the positions analyzed, is set to 1.0. if there are multiple categories of positions. This means that whether or not there are multiple categories of positions, the expected fraction of change for very small branches is equal to the branch length. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes occur in the same position and overlie or even reverse each other. The branch length estimates here are in terms of the expected underlying numbers of changes. That means that a branch of length 0.26 is 26 times as long as one which would show a 1% difference between the amino acid sequences at the beginning and end of the branch. But we would not expect the sequences at the beginning and end of the branch to be 26% different, as there would be some overlaying of changes.

Confidence limits on the branch lengths are also given. Of course a negative value of the branch length is meaningless, and a confidence limit overlapping zero simply means that the branch length is not necessarily significantly different from zero. Because of limitations of the numerical algorithm, branch length estimates of zero will often print out as small numbers such as 0.00001. If you see a branch length that small, it is really estimated to be of zero length.

Another possible source of confusion is the existence of negative values for the log likelihood. This is not really a problem; the log likelihood is not a probability but the logarithm of a probability. When it is negative it simply means that the corresponding probability is less than one (since we are seeing its logarithm). The log likelihood is maximized by being made more positive: -30.23 is worse than -29.14.

At the end of the output, if the R option is in effect with multiple HMM rates, the program will print a list of what amino acid position categories contributed the most to the final likelihood. This combination of HMM rate categories need not have contributed a majority of the likelihood, just a plurality. Still, it will be helpful as a view of where the program infers that the higher and lower rates are. Note that the use in this calculations of the prior probabilities of different rates, and the average patch length, gives this inference a "smoothed" appearance: some other combination of rates might make a greater contribution to the likelihood, but be discounted because it conflicts with this prior information. See the example output below to see what this printout of rate categories looks like. A second list will also be printed out, showing for each position which rate accounted for the highest fraction of the likelihood. If the fraction of the likelihood accounted for is less than 95%, a dot is printed instead.

Option 3 in the menu controls whether the tree is printed out into the output file. This is on by default, and usually you will want to leave it this way. However for runs with multiple data sets such as bootstrapping runs, you will primarily be interested in the trees which are written onto the output tree file, rather than the trees printed on the output file. To keep the output file from becoming too large, it may be wisest to use option 3 to prevent trees being printed onto the output file.

Option 4 in the menu controls whether the tree estimated by the program is written onto a tree file. The default name of this output tree file is "outtree". If the U option is in effect, all the user-defined trees are written to the output tree file.

Option 5 in the menu controls whether ancestral states are estimated at each node in the tree. If it is in effect, a table of ancestral sequences is printed out (including the sequences in the tip species which are the input sequences). The symbol printed out is for the amino acid which accounts for the largest fraction of the likelihood at that position. In that table, if a position has an amino acid which accounts for more than 95% of the likelihood, its symbol printed in capital letters (W rather than w). One limitation of the current version of the program is that when there are multiple HMM rates (option R) the reconstructed amino acids are based on only the single assignment of rates to positions which accounts for the largest amount of the likelihood. Thus the assessment of 95% of the likelihood, in tabulating the ancestral states, refers to 95% of the likelihood that is accounted for by that particular combination of rates.

PROGRAM CONSTANTS

The constants defined at the beginning of the program include "maxtrees", the maximum number of user trees that can be processed. It is small (100) at present to save some further memory but the cost of increasing it is not very great. Other constants include "maxcategories", the maximum number of position categories, "namelength", the length of species names in characters, and three others, "smoothings", "iterations", and "epsilon", that help "tune" the algorithm and define the compromise between execution speed and the quality of the branch lengths found by iteratively maximizing the likelihood. Reducing iterations and smoothings, and increasing epsilon, will result in faster execution but a worse result. These values will not usually have to be changed.

The program spends most of its time doing real arithmetic. The algorithm, with separate and independent computations occurring for each pattern, lends itself readily to parallel processing.

PAST AND FUTURE OF THE PROGRAM

This program is derived in version 3.6 by Lucas Mix from DNAML, with which it shares many of its data structures and much of its strategy.


TEST DATA SET

(Note that although these may look like DNA sequences, they are being treated as protein sequences consisting entirely of alanine, cystine, glycine, and threonine).

   5   13
Alpha     AACGTGGCCAAAT
Beta      AAGGTCGCCAAAC
Gamma     CATTTCGTCACAA
Delta     GGTATTTCGGCCT
Epsilon   GGGATCTCGGCCC


CONTENTS OF OUTPUT FILE (with all numerical options on)

(It was run with HMM rates having gamma-distributed rates approximated by 5 rate categories, with coefficient of variation of rates 1.0, and with patch length parameter = 1.5. Two user-defined rate categories were used, one for the first 6 positions, the other for the last 7, with rates 1.0 : 2.0. Weights were used, with sites 1 and 13 given weight 0, and all others weight 1.)


Amino acid sequence Maximum Likelihood method, version 3.6a3

 5 species,  13  sites

    Site categories are:

             1111112222 222


    Sites are weighted as follows:

             0111111111 111

Jones-Taylor-Thornton model of amino acid change


Name            Sequences
----            ---------

Alpha        AACGTGGCCA AAT
Beta         ..G..C.... ..C
Gamma        C.TT.C.T.. C.A
Delta        GGTA.TT.GG CC.
Epsilon      GGGA.CT.GG CCC



Discrete approximation to gamma distributed rates
 Coefficient of variation of rates = 1.000000  (alpha = 1.000000)

States in HMM   Rate of change    Probability

        1           0.264            0.522
        2           1.413            0.399
        3           3.596            0.076
        4           7.086            0.0036
        5          12.641            0.000023



Site category   Rate of change

        1           1.000
        2           2.000



  +Beta      
  |  
  |                                       +Epsilon   
  |         +-----------------------------3  
  1---------2                             +-------------------Delta     
  |         |  
  |         +--------------------------Gamma     
  |  
  +-----------------Alpha     


remember: this is an unrooted tree!

Ln Likelihood =  -121.49044

 Between        And            Length      Approx. Confidence Limits
 -------        ---            ------      ------- ---------- ------

     1          Alpha            60.18362     (     zero,   135.65380) **
     1          Beta              0.00010     (     zero,    infinity)
     1             2             32.56292     (     zero,    96.08019) *
     2             3            141.85557     (     zero,   304.10906) **
     3          Epsilon           0.00010     (     zero,    infinity)
     3          Delta            68.68682     (     zero,   151.95402) **
     2          Gamma            89.79037     (     zero,   198.93830) **

     *  = significantly positive, P < 0.05
     ** = significantly positive, P < 0.01

Combination of categories that contributes the most to the likelihood:

             1122121111 112

Most probable category at each site if > 0.95 probability ("." otherwise)

             ....1..... ...

Probable sequences at interior nodes:

  node       Reconstructed sequence (caps if > 0.95)

    1        .AGGTCGCCA AAC
 Beta        AAGGTCGCCA AAC
    2        .AggTCGCCA CAC
    3        .GGATCTCGG CCC
 Epsilon     GGGATCTCGG CCC
 Delta       GGTATTTCGG CCT
 Gamma       CATTTCGTCA CAA
 Alpha       AACGTGGCCA AAT

./arbsrc_9167/GDE/PHYLIP/doc/promlk.html0000644012664100000130000007341211213220011017470 0ustar arb_buildcoders dnamlk

version 3.6

ProMLK -- Protein maximum likelihood program
with molecular clock

© Copyright 2000-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements the maximum likelihood method for protein amino acid sequences under the constraint that the trees estimated must be consistent with a molecular clock. The molecular clock is the assumption that the tips of the tree are all equidistant, in branch length, from its root. This program is indirectly related to PROML. It uses the Dayhoff probability model of change between amino acids. Its algorithmic details are not yet published, but many of them are similar to DNAMLK.

The assumptions of the model are:

  1. Each position in the sequence evolves independently.
  2. Different lineages evolve independently.
  3. Each position undergoes substitution at an expected rate which is chosen from a series of rates (each with a probability of occurrence) which we specify.
  4. All relevant positions are included in the sequence, not just those that have changed or those that are "phylogenetically informative".
  5. The probabilities of change between amino acids are given by the model of Dayhoff (Dayhoff and Eck, 1968; Dayhoff et. al., 1979).

Note the assumption that we are looking at all positions, including those that have not changed at all. It is important not to restrict attention to some positions based on whether or not they have changed; doing that would bias branch lengths by making them too long, and that in turn would cause the method to misinterpret the meaning of those positions that had changed.

This program uses a Hidden Markov Model (HMM) method of inferring different rates of evolution at different amino acid positions. This was described in a paper by me and Gary Churchill (1996). It allows us to specify to the program that there will be a number of different possible evolutionary rates, what the prior probabilities of occurrence of each is, and what the average length of a patch of positions all having the same rate. The rates can also be chosen by the program to approximate a Gamma distribution of rates, or a Gamma distribution plus a class of invariant positions. The program computes the likelihood by summing it over all possible assignments of rates to positions, weighting each by its prior probability of occurrence.

For example, if we have used the C and A options (described below) to specify that there are three possible rates of evolution, 1.0, 2.4, and 0.0, that the prior probabilities of a position having these rates are 0.4, 0.3, and 0.3, and that the average patch length (number of consecutive positions with the same rate) is 2.0, the program will sum the likelihood over all possibilities, but giving less weight to those that (say) assign all positions to rate 2.4, or that fail to have consecutive positions that have the same rate.

The Hidden Markov Model framework for rate variation among positions was independently developed by Yang (1993, 1994, 1995). We have implemented a general scheme for a Hidden Markov Model of rates; we allow the rates and their prior probabilities to be specified arbitrarily by the user, or by a discrete approximation to a Gamma distribution of rates (Yang, 1995), or by a mixture of a Gamma distribution and a class of invariant positions.

This feature effectively removes the artificial assumption that all positions have the same rate, and also means that we need not know in advance the identities of the positions that have a particular rate of evolution.

Another layer of rate variation also is available. The user can assign categories of rates to each positions (for example, we might want amino acid positions in the active site of a protein to change more slowly than other positions. This is done with the categories input file and the C option. We then specify (using the menu) the relative rates of evolution of amino acid positions in the different categories. For example, we might specify that positions in the active site evolve at relative rates of 0.2 compared to 1.0 at other positions. If we are assuming that a particular position maintains a cysteine bridge to another, we may want to put it in a category of positions (including perhaps the initial position of the protein sequence which maintains methionine) which changes at a rate of 0.0.

If both user-assigned rate categories and Hidden Markov Model rates are allowed, the program assumes that the actual rate at a position is the product of the user-assigned category rate and the Hidden Markov Model regional rate. (This may not always make perfect biological sense: it would be more natural to assume some upper bound to the rate, as we have discussed in the Felsenstein and Churchill paper). Nevertheless you may want to use both types of rate variation.

INPUT FORMAT AND OPTIONS

Subject to these assumptions, the program is a correct maximum likelihood method. The input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of amino acid positions.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter amino acid code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The options are selected using an interactive menu. The menu looks like this:


Amino acid sequence
   Maximum Likelihood method with molecular clock, version 3.6a3

Settings for this run:
  U                 Search for best tree?  Yes
  P   JTT or PAM amino acid change model?  Jones-Taylor-Thornton model
  C   One category of substitution rates?  Yes
  R           Rate variation among sites?  constant rate of change
  G                Global rearrangements?  No
  W                       Sites weighted?  No
  J   Randomize input order of sequences?  No. Use input order
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes
  5   Reconstruct hypothetical sequences?  No

Are these settings correct? (type Y or the letter for one to change)

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options U, W, J, O, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The R (Hidden Markov Model rates) option allows the user to approximate a Gamma distribution of rates among positions, or a Gamma distribution plus a class of invariant positions, or to specify how many categories of substitution rates there will be in a Hidden Markov Model of rate variation, and what are the rates and probabilities for each. By repeatedly selecting the R option one toggles among no rate variation, the Gamma, Gamma+I, and general HMM possibilities.

If you choose Gamma or Gamma+I the program will ask how many rate categories you want. If you have chosen Gamma+I, keep in mind that one rate category will be set aside for the invariant class and only the remaining ones used to approximate the Gamma distribution. For the approximation we do not use the quantile method of Yang (1995) but instead use a quadrature method using generalized Laguerre polynomials. This should give a good approximation to the Gamma distribution with as few as 5 or 6 categories.

In the Gamma and Gamma+I cases, the user will be asked to supply the coefficient of variation of the rate of substitution among positions. This is different from the parameters used by Nei and Jin (1990) but related to them: their parameter a is also known as "alpha", the shape parameter of the Gamma distribution. It is related to the coefficient of variation by

     CV = 1 / a1/2

or

     a = 1 / (CV)2

(their parameter b is absorbed here by the requirement that time is scaled so that the mean rate of evolution is 1 per unit time, which means that a = b). As we consider cases in which the rates are less variable we should set a larger and larger, as CV gets smaller and smaller.

If the user instead chooses the general Hidden Markov Model option, they are first asked how many HMM rate categories there will be (for the moment there is an upper limit of 9, which should not be restrictive). Then the program asks for the rates for each category. These rates are only meaningful relative to each other, so that rates 1.0, 2.0, and 2.4 have the exact same effect as rates 2.0, 4.0, and 4.8. Note that an HMM rate category can have rate of change 0, so that this allows us to take into account that there may be a category of amino acid positions that are invariant. Note that the run time of the program will be proportional to the number of HMM rate categories: twice as many categories means twice as long a run. Finally the program will ask for the probabilities of a random amino acid position falling into each of these regional rate categories. These probabilities must be nonnegative and sum to 1. Default for the program is one category, with rate 1.0 and probability 1.0 (actually the rate does not matter in that case).

If more than one HMM rate category is specified, then another option, A, becomes visible in the menu. This allows us to specify that we want to assume that positions that have the same HMM rate category are expected to be clustered so that there is autocorrelation of rates. The program asks for the value of the average patch length. This is an expected length of patches that have the same rate. If it is 1, the rates of successive positions will be independent. If it is, say, 10.25, then the chance of change to a new rate will be 1/10.25 after every position. However the "new rate" is randomly drawn from the mix of rates, and hence could even be the same. So the actual observed length of patches with the same rate will be a bit larger than 10.25. Note below that if you choose multiple patches, there will be an estimate in the output file as to which combination of rate categories contributed most to the likelihood.

Note that the autocorrelation scheme we use is somewhat different from Yang's (1995) autocorrelated Gamma distribution. I am unsure whether this difference is of any importance -- our scheme is chosen for the ease with which it can be implemented.

The C option allows user-defined rate categories. The user is prompted for the number of user-defined rates, and for the rates themselves, which cannot be negative but can be zero. These numbers, which must be nonnegative (some could be 0), are defined relative to each other, so that if rates for three categories are set to 1 : 3 : 2.5 this would have the same meaning as setting them to 2 : 6 : 5. The assignment of rates to amino acid positions is then made by reading a file whose default name is "categories". It should contain a string of digits 1 through 9. A new line or a blank can occur after any character in this string. Thus the categories file might look like this:

122231111122411155
1155333333444

With the current options R, A, and C the program has a good ability to infer different rates at different positions and estimate phylogenies under a more realistic model. Note that Likelihood Ratio Tests can be used to test whether one combination of rates is significantly better than another, provided one rate scheme represents a restriction of another with fewer parameters. The number of parameters needed for rate variation is the number of regional rate categories, plus the number of user-defined rate categories less 2, plus one if the regional rate categories have a nonzero autocorrelation.

The G (global search) option causes, after the last species is added to the tree, each possible group to be removed and re-added. This improves the result, since the position of every species is reconsidered. It approximately triples the run-time of the program.

The User tree (option U) is read from a file whose default name is intree. The trees can be multifurcating. This allows us to test the hypothesis that a given branch has zero length.

If the U (user tree) option is chosen another option appears in the menu, the L option. If it is selected, it signals the program that it should take any branch lengths that are in the user tree and simply evaluate the likelihood of that tree, without further altering those branch lengths. In the case of a clock, if some branches have lengths and others do not, the program does not estimate the lengths of those that do not have lengths given in the user tree. If any of the branches do not have lengths, the program re-estimates the lengths of all of them. This is done because estimating some and not others is hard in the case of a clock.

The W (Weights) option is invoked in the usual way, with only weights 0 and 1 allowed. It selects a set of positions to be analyzed, ignoring the others. The positions selected are those with weight 1. If the W option is not invoked, all positions are analyzed. The Weights (W) option takes the weights from a file whose default name is "weights". The weights follow the format described in the main documentation file.

The M (multiple data sets) option will ask you whether you want to use multiple sets of weights (from the weights file) or multiple data sets from the input file. The ability to use a single data set with multiple weights means that much less disk space will be used for this input data. The bootstrapping and jackknifing tool Seqboot has the ability to create a weights file with multiple weights. Note also that when we use multiple weights for bootstrapping we can also then maintain different rate categories for different positions in a meaningful way. You should not use the multiple data sets option without using multiple weights, you should not at the same time use the user-defined rate categories option (option C).

The algorithm used for searching among trees is faster than it was in version 3.5, thanks to using a technique invented by David Swofford and J. S. Rogers. This involves not iterating most branch lengths on most trees when searching among tree topologies, This is of necessity a "quick-and-dirty" search but it saves much time.

OUTPUT FORMAT

The output starts by giving the number of species, the number of amino acid positions.

If the R (HMM rates) option is used a table of the relative rates of expected substitution at each category of positions is printed, as well as the probabilities of each of those rates.

There then follow the data sequences, if the user has selected the menu option to print them out, with the base sequences printed in groups of ten amino acids. The trees found are printed as a rooted tree topology. The internal nodes are numbered arbitrarily for the sake of identification. The number of trees evaluated so far and the log likelihood of the tree are also given. The branch lengths in the diagram are roughly proportional to the estimated branch lengths, except that very short branches are printed out at least three characters in length so that the connections can be seen.

A table is printed showing the length of each tree segment, and the time (in units of expected amino acid substitutions per position) of each fork in the tree, measured from the root of the tree. I have not attempted in include code for approximate confidence limits on branch points, as I have done for branch lengths in PROML, both because of the extreme crudeness of that test, and because the variation of times for different forks would be highly correlated.

The log likelihood printed out with the final tree can be used to perform various likelihood ratio tests. One can, for example, compare runs with different values of the relative rate of change in the active site and in the rest of the protein to determine which value is the maximum likelihood estimate, and what is the allowable range of values (using a likelihood ratio test, which you will find described in mathematical statistics books). One could also estimate the base frequencies in the same way. Both of these, particularly the latter, require multiple runs of the program to evaluate different possible values, and this might get expensive.

This program makes possible a (reasonably) legitimate statistical test of the molecular clock. To do such a test, run PROML and PROMLK on the same data. If the trees obtained are of the same topology (when considered as unrooted), it is legitimate to compare their likelihoods by the likelihood ratio test. In PROML the likelihood has been computed by estimating 2n-3 branch lengths, if their are n tips on the tree. In PROMLK it has been computed by estimating n-1 branching times (in effect, n-1 branch lengths). The difference in the number of parameters is (2n-3)-(n-1) = n-2. To perform the test take the difference in log likelihoods between the two runs (PROML should be the higher of the two, barring numerical iteration difficulties) and double it. Look this up on a chi-square distribution with n-2 degrees of freedom. If the result is significant, the log likelihood has been significantly increased by allowing all 2n-3 branch lengths to be estimated instead of just n-1, and molecular clock may be rejected.

If the U (User Tree) option is used and more than one tree is supplied, and the program is not told to assume autocorrelation between the rates at different amino acid positions, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of log-likelihood differences between trees, taken across amino acid positions. If the two trees' means are more than 1.96 standard deviations different then the trees are declared significantly different. This use of the empirical variance of log-likelihood differences is more robust and nonparametric than the classical likelihood ratio test, and may to some extent compensate for the any lack of realism in the model underlying this program.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sum of log likelihoods across amino acid positions are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected log-likelihood, log-likelihoods for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest log-likelihood exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the log-likelihoods of each tree, the differences of each from the highest one, the variance of that quantity as determined by the log-likelihood differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one. However the test is not available if we assume that there is autocorrelation of rates at neighboring positions (option A) and is not done in those cases.

The branch lengths printed out are scaled in terms of expected numbers of amino acid substitutions, scaled so that the average rate of change, averaged over all the positions analyzed, is set to 1.0. if there are multiple categories of positions. This means that whether or not there are multiple categories of positions, the expected fraction of change for very small branches is equal to the branch length. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes occur in the same position and overlie or even reverse each other. The branch length estimates here are in terms of the expected underlying numbers of changes. That means that a branch of length 0.26 is 26 times as long as one which would show a 1% difference between the amino acid sequences at the beginning and end of the branch. But we would not expect the sequences at the beginning and end of the branch to be 26% different, as there would be some overlaying of changes.

Because of limitations of the numerical algorithm, branch length estimates of zero will often print out as small numbers such as 0.00001. If you see a branch length that small, it is really estimated to be of zero length.

Another possible source of confusion is the existence of negative values for the log likelihood. This is not really a problem; the log likelihood is not a probability but the logarithm of a probability. When it is negative it simply means that the corresponding probability is less than one (since we are seeing its logarithm). The log likelihood is maximized by being made more positive: -30.23 is worse than -29.14.

At the end of the output, if the R option is in effect with multiple HMM rates, the program will print a list of what amino acid position categories contributed the most to the final likelihood. This combination of HMM rate categories need not have contributed a majority of the likelihood, just a plurality. Still, it will be helpful as a view of where the program infers that the higher and lower rates are. Note that the use in this calculations of the prior probabilities of different rates, and the average patch length, gives this inference a "smoothed" appearance: some other combination of rates might make a greater contribution to the likelihood, but be discounted because it conflicts with this prior information. See the example output below to see what this printout of rate categories looks like. A second list will also be printed out, showing for each position which rate accounted for the highest fraction of the likelihood. If the fraction of the likelihood accounted for is less than 95%, a dot is printed instead.

Option 3 in the menu controls whether the tree is printed out into the output file. This is on by default, and usually you will want to leave it this way. However for runs with multiple data sets such as bootstrapping runs, you will primarily be interested in the trees which are written onto the output tree file, rather than the trees printed on the output file. To keep the output file from becoming too large, it may be wisest to use option 3 to prevent trees being printed onto the output file.

Option 4 in the menu controls whether the tree estimated by the program is written onto a tree file. The default name of this output tree file is "outtree". If the U option is in effect, all the user-defined trees are written to the output tree file.

Option 5 in the menu controls whether ancestral states are estimated at each node in the tree. If it is in effect, a table of ancestral sequences is printed out (including the sequences in the tip species which are the input sequences). The symbol printed out is for the amino acid which accounts for the largest fraction of the likelihood at that position. In that table, if a position has an amino acid which accounts for more than 95% of the likelihood, its symbol printed in capital letters (W rather than w). One limitation of the current version of the program is that when there are multiple HMM rates (option R) the reconstructed amino acids are based on only the single assignment of rates to positions which accounts for the largest amount of the likelihood. Thus the assessment of 95% of the likelihood, in tabulating the ancestral states, refers to 95% of the likelihood that is accounted for by that particular combination of rates.

PROGRAM CONSTANTS

The constants defined at the beginning of the program include "maxtrees", the maximum number of user trees that can be processed. It is small (100) at present to save some further memory but the cost of increasing it is not very great. Other constants include "maxcategories", the maximum number of position categories, "namelength", the length of species names in characters, and three others, "smoothings", "iterations", and "epsilon", that help "tune" the algorithm and define the compromise between execution speed and the quality of the branch lengths found by iteratively maximizing the likelihood. Reducing iterations and smoothings, and increasing epsilon, will result in faster execution but a worse result. These values will not usually have to be changed.

The program spends most of its time doing real arithmetic. The algorithm, with separate and independent computations occurring for each pattern, lends itself readily to parallel processing.

PAST AND FUTURE OF THE PROGRAM

This program was developed in version 3.6 by Lucas Mix by combining code from DNAMLK and from PROML.


TEST DATA SET

   5   13
Alpha     AACGTGGCCAAAT
Beta      AAGGTCGCCAAAC
Gamma     CATTTCGTCACAA
Delta     GGTATTTCGGCCT
Epsilon   GGGATCTCGGCCC


CONTENTS OF OUTPUT FILE (with all numerical options on)

(It was run with HMM rates having gamma-distributed rates approximated by 5 rate categories, with coefficient of variation of rates 1.0, and with patch length parameter = 1.5. Two user-defined rate categories were used, one for the first 6 positions, the other for the last 7, with rates 1.0 : 2.0. Weights were used, with sites 1 and 13 given weight 0, and all others weight 1.)


Amino acid sequence
   Maximum Likelihood method with molecular clock, version 3.6a3

 5 species,  13  sites

    Site categories are:

             1111112222 222


    Sites are weighted as follows:

             0111111111 111

Jones-Taylor-Thornton model of amino acid change


Name            Sequences
----            ---------

Alpha        AACGTGGCCA AAT
Beta         ..G..C.... ..C
Gamma        C.TT.C.T.. C.A
Delta        GGTA.TT.GG CC.
Epsilon      GGGA.CT.GG CCC



Discrete approximation to gamma distributed rates
 Coefficient of variation of rates = 1.000000  (alpha = 1.000000)

State in HMM    Rate of change    Probability

        1           0.264            0.522
        2           1.413            0.399
        3           3.596            0.076
        4           7.086            0.0036
        5          12.641            0.000023

Expected length of a patch of sites having the same rate =    1.500


Site category   Rate of change

        1           1.000
        2           2.000






                                               +-----------------Epsilon   
     +-----------------------------------------4  
  +--3                                         +-----------------Delta     
  !  !  
--2  +-----------------------------------------------------------Gamma     
  !  
  !                                +--------------------------Beta      
  +--------------------------------1  
                                   +--------------------------Alpha     


Ln Likelihood =  -138.46858

 Ancestor      Node      Node Height     Length
 --------      ----      ---- ------     ------
 root            2      
   2             3          0.00010      0.00010
   3             4          6.92817      6.92807
   4          Epsilon       9.99990      3.07173
   4          Delta         9.99990      3.07173
   3          Gamma         9.99990      9.99980
   2             1          5.47444      5.47444
   1          Beta          9.99990      4.52546
   1          Alpha         9.99990      4.52546

Combination of categories that contributes the most to the likelihood:

             3333333333 333

Most probable category at each site if > 0.95 probability ("." otherwise)

             .......... ...



Probable sequences at interior nodes:

  node       Reconstructed sequence (caps if > 0.95)

    2        .AeDesDDdd eSe
    3        .AeDesDDDd eSe
    4        .GEDssDEDD ESs
 Epsilon     GGGATCTCGG CCC
 Delta       GGTATTTCGG CCT
 Gamma       CATTTCGTCA CAA
    1        .AeDEdDDds sSE
 Beta        AAGGTCGCCA AAC
 Alpha       AACGTGGCCA AAT

./arbsrc_9167/GDE/PHYLIP/doc/protdist.html0000644012664100000130000004547511213220011020044 0ustar arb_buildcoders protdist

version 3.6

PROTDIST -- Program to compute distance matrix
from protein sequences

© Copyright 1993, 2000-2002 by the University of Washington. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program uses protein sequences to compute a distance matrix, under four different models of amino acid replacement. It can also compute a table of similarity between the amino acid sequences. The distance for each pair of species estimates the total branch length between the two species, and can be used in the distance matrix programs FITCH, KITSCH or NEIGHBOR. This is an alternative to use of the sequence data itself in the parsimony program PROTPARS.

The program reads in protein sequences and writes an output file containing the distance matrix or similarity table. The four models of amino acid substitution are one which is based on the Jones, Taylor and Thornton (1992) model of amino acid change, one based on the PAM matrixes of Margaret Dayhoff, one due to Kimura (1983) which approximates it based simply on the fraction of similar amino acids, and one based on a model in which the amino acids are divided up into groups, with change occurring based on the genetic code but with greater difficulty of changing between groups. The program correctly takes into account a variety of sequence ambiguities.

The four methods are:

(1) The Dayhoff PAM matrix. This uses Dayhoff's PAM 001 matrix from Dayhoff (1979), page 348. The PAM model is an empirical one that scales probabilities of change from one amino acid to another in terms of a unit which is an expected 1% change between two amino acid sequences. The PAM 001 matrix is used to make a transition probability matrix which allows prediction of the probability of changing from any one amino acid to any other, and also predicts equilibrium amino acid composition. The program assumes that these probabilities are correct and bases its computations of distance on them. The distance that is computed is scaled in units of expected fraction of amino acids changed. This is a unit of 100 PAM's.

(2) The Jones-Taylor-Thornton model. This is similar to the Dayhoff PAM model, except that it is based on a recounting of the number of observed changes in amino acids by Jones, Taylor, and Thornton (1992). They used a much larger sample of protein sequences than did Dayhoff. The distance is scaled in units of the expected fraction of amino acids changed (100 PAM's). Because its sample is so much larger this model is to be preferred over the original Dayhoff PAM model. It is the default model in this program.

(3) Kimura's distance. This is a rough-and-ready distance formula for approximating PAM distance by simply measuring the fraction of amino acids, p, that differs between two sequences and computing the distance as (Kimura, 1983)

     D = - loge ( 1 - p - 0.2 p2 ).

This is very quick to do but has some obvious limitations. It does not take into account which amino acids differ or to what amino acids they change, so some information is lost. The units of the distance measure are fraction of amino acids differing, as also in the case of the PAM distance. If the fraction of amino acids differing gets larger than 0.8541 the distance becomes infinite.

(4) The Categories distance. This is my own concoction. I imagined a nucleotide sequence changing according to Kimura's 2-parameter model, with the exception that some changes of amino acids are less likely than others. The amino acids are grouped into a series of categories. Any base change that does not change which category the amino acid is in is allowed, but if an amino acid changes category this is allowed only a certain fraction of the time. The fraction is called the "ease" and there is a parameter for it, which is 1.0 when all changes are allowed and near 0.0 when changes between categories are nearly impossible.

In this option I have allowed the user to select the Transition/Transversion ratio, which of several genetic codes to use, and which categorization of amino acids to use. There are three of them, a somewhat random sample:

(a)
The George-Hunt-Barker (1988) classification of amino acids,
(b)
A classification provided by my colleague Ben Hall when I asked him for one,
(c)
One I found in an old "baby biochemistry" book (Conn and Stumpf, 1963), which contains most of the biochemistry I was ever taught, and all that I ever learned.

Interestingly enough, all of them are consisten with the same linear ordering of amino acids, which they divide up in different ways. For the Categories model I have set as default the George/Hunt/Barker classification with the "ease" parameter set to 0.457 which is approximately the value implied by the empirical rates in the Dayhoff PAM matrix.

The method uses, as I have noted, Kimura's (1980) 2-parameter model of DNA change. The Kimura "2-parameter" model allows for a difference between transition and transversion rates. Its transition probability matrix for a short interval of time is:

              To:     A        G        C        T
                   ---------------------------------
               A  | 1-a-2b     a         b       b
       From:   G  |   a      1-a-2b      b       b
               C  |   b        b       1-a-2b    a
               T  |   b        b         a     1-a-2b

where a is u dt, the product of the rate of transitions per unit time and dt is the length dt of the time interval, and b is v dt, the product of half the rate of transversions (i.e., the rate of a specific transversion) and the length dt of the time interval.

Each distance that is calculated is an estimate, from that particular pair of species, of the divergence time between those two species. The Kimura distance is straightforward to compute. The other two are considerably slower, and they look at all positions, and find that distance which makes the likelihood highest. This likelihood is in effect the length of the internal branch in a two-species tree that connects these two species. Its likelihood is just the product, under the model, of the probabilities of each position having the (one or) two amino acids that are actually found. This is fairly slow to compute.

The computation proceeds from an eigenanalysis (spectral decomposition) of the transition probability matrix. In the case of the PAM 001 matrix the eigenvalues and eigenvectors are precomputed and are hard-coded into the program in over 400 statements. In the case of the Categories model the program computes the eigenvalues and eigenvectors itself, which will add a delay. But the delay is independent of the number of species as the calculation is done only once, at the outset.

The actual algorithm for estimating the distance is in both cases a bisection algorithm which tries to find the point at which the derivative os the likelihood is zero. Some of the kinds of ambiguous amino acids like "glx" are correctly taken into account. However, gaps are treated as if they are unkown nucleotides, which means those positions get dropped from that particular comparison. However, they are not dropped from the whole analysis. You need not eliminate regions containing gaps, as long as you are reasonably sure of the alignment there.

Note that there is an assumption that we are looking at all positions, including those that have not changed at all. It is important not to restrict attention to some positions based on whether or not they have changed; doing that would bias the distances by making them too large, and that in turn would cause the distances to misinterpret the meaning of those positions that had changed.

The program can now correct distances for unequal rates of change at different amino acid positions. This correction, which was introduced for DNA sequences by Jin and Nei (1990), assumes that the distribution of rates of change among amino acid positions follows a Gamma distribution. The user is asked for the value of a parameter that determines the amount of variation of rates among amino acid positions. Instead of the more widely-known coefficient alpha, PROTDIST uses the coefficient of variation (ratio of the standard deviation to the mean) of rates among amino acid positions. . So if there is 20% variation in rates, the CV is is 0.20. The square of the C.V. is also the reciprocal of the better-known "shape parameter", alpha, of the Gamma distribution, so in this case the shape parameter alpha = 1/(0.20*0.20) = 25. If you want to achieve a particular value of alpha, such as 10, you will want to use a CV of 1/sqrt(100) = 1/10 = 0.1.

In addition to the four distance calculations, the program can also compute a table of similarities between amino acid sequences. These values are the fractions of amino acid positions identical between the sequences. The diagonal values are 1.0000. No attempt is made to count similarity of nonidentical amino acids, so that no credit is given for having (for example) different hydrophobic amino acids at the corresponding positions in the two sequences. This option has been requested by many users, who need it for descriptive purposes. It is not intended that the table be used for inferring the tree.

INPUT FORMAT AND OPTIONS

Input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of sites. There follows the character W if the Weights option is being used.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

After that are the lines (if any) containing the information for the W option, as described below.

The options are selected using an interactive menu. The menu looks like this:


Protein distance algorithm, version 3.6a3

Settings for this run:
  P     Use JTT, PAM, Kimura or categories model?  Jones-Taylor-Thornton matrix
  G  Gamma distribution of rates among positions?  No
  C           One category of substitution rates?  Yes
  W                    Use weights for positions?  No
  M                   Analyze multiple data sets?  No
  I                  Input sequences interleaved?  Yes
  0                 Terminal type (IBM PC, ANSI)?  (none)
  1            Print out the data at start of run  No
  2          Print indications of progress of run  Yes

Are these settings correct? (type Y or the letter for one to change)

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The G option chooses Gamma distributed rates of evolution across amino acid psoitions. The program will pronmpt you for the Coefficient of Variation of rates. As is noted above, thi is 1/sqrt(alpha) if alpha is the more familiar "shape coefficient" of the Gamma distribution. If the G option is not selected, the program defaults to having no variation of rates among sites.

The options M and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs.

The P option selects one of the four distance methods, or the similarity table. It toggles among these five methods. The default method, if none is specified, is the Jones-Taylor-Thornton model. If the Categories distance is selected another menu option, T, will appear allowing the user to supply the Transition/Transversion ratio that should be assumed at the underlying DNA level, and another one, C, which allows the user to select among various nuclear and mitochondrial genetic codes.i The transition/transversion ratio can be any number from 0.5 upwards.

The W (Weights) option is invoked in the usual way, with only weights 0 and 1 allowed. It selects a set of sites to be analyzed, ignoring the others. The sites selected are those with weight 1. If the W option is not invoked, all sites are analyzed.

OUTPUT FORMAT

As the distances are computed, the program prints on your screen or terminal the names of the species in turn, followed by one dot (".") for each other species for which the distance to that species has been computed. Thus if there are ten species, the first species name is printed out, followed by one dot, then on the next line the next species name is printed out followed by two dots, then the next followed by three dots, and so on. The pattern of dots should form a triangle. When the distance matrix has been written out to the output file, the user is notified of that.

The output file contains on its first line the number of species. The distance matrix is then printed in standard form, with each species starting on a new line with the species name, followed by the distances to the species in order. These continue onto a new line after every nine distances. The distance matrix is square with zero distances on the diagonal. In general the format of the distance matrix is such that it can serve as input to any of the distance matrix programs.

If the similarity table is selected, the table that is produced is not in a format that can be used as input to the distance matrix programs. it has a heading, and the species names are also put at the tops of the columns of the table (or rather, the first 8 characters of each species name is there, the other two characters omitted to save space). There is not an option to put the table into a format that can be read by the distance matrix programs, nor is there one to make it into a table of fractions of difference by subtracting the similarity values from 1. This is done deliberately to make it more difficult for the use to use these values to construct trees. The similarity values are not corrected for multiple changes, and their use to construct trees (even after converting them to fractions of difference) would be wrong, as it would lead to severe conflict between the distant pairs of sequences and the close pairs of sequences.

If the option to print out the data is selected, the output file will precede the data by more complete information on the input and the menu selections. The output file begins by giving the number of species and the number of characters, and the identity of the distance measure that is being used.

In the Categories model of substitution, the distances printed out are scaled in terms of expected numbers of substitutions, counting both transitions and transversions but not replacements of a base by itself, and scaled so that the average rate of change is set to 1.0. For the Dayhoff PAM and Kimura models the distance are scaled in terms of the expected numbers of amino acid substitutions per site. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes may occur in the same site and overlie or even reverse each other. The branch lengths estimates here are in terms of the expected underlying numbers of changes. That means that a branch of length 0.26 is 26 times as long as one which would show a 1% difference between the protein (or nucleotide) sequences at the beginning and end of the branch. But we would not expect the sequences at the beginning and end of the branch to be 26% different, as there would be some overlaying of changes.

One problem that can arise is that two or more of the species can be so dissimilar that the distance between them would have to be infinite, as the likelihood rises indefinitely as the estimated divergence time increases. For example, with the Kimura model, if the two sequences differ in 85.41% or more of their positions then the estimate of divergence time would be infinite. Since there is no way to represent an infinite distance in the output file, the program regards this as an error, issues a warning message indicating which pair of species are causing the problem, and computes a distance of -1.0.

PROGRAM CONSTANTS

The constants that are available to be changed by the user at the beginning of the program include "namelength", the length of species names in characters, and "epsilon", a parameter which controls the accuracy of the results of the iterations which estimate the distances. Making "epsilon" smaller will increase run times but result in more decimal places of accuracy. This should not be necessary.

The program spends most of its time doing real arithmetic. Any software or hardware changes that speed up that arithmetic will speed it up by a nearly proportional amount.


TEST DATA SET

(Note that although these may look like DNA sequences, they are being treated as protein sequences consisting entirely of alanine, cystine, glycine, and threonine).

   5   13
Alpha     AACGTGGCCACAT
Beta      AAGGTCGCCACAC
Gamma     CAGTTCGCCACAA
Delta     GAGATTTCCGCCT
Epsilon   GAGATCTCCGCCC


CONTENTS OF OUTPUT FILE (with all numerical options on )

(Note that when the numerical options are not on, the output file produced is in the correct format to be used as an input file in the distance matrix programs).


  Jones-Taylor-Thornton model distance

Name            Sequences
----            ---------

Alpha        AACGTGGCCA CAT
Beta         ..G..C.... ..C
Gamma        C.GT.C.... ..A
Delta        G.GA.TT..G .C.
Epsilon      G.GA.CT..G .CC



Alpha       0.0000  0.3304  0.6257  1.0320  1.3541
Beta        0.3304  0.0000  0.3756  1.0963  0.6776
Gamma       0.6257  0.3756  0.0000  0.9758  0.8616
Delta       1.0320  1.0963  0.9758  0.0000  0.2267
Epsilon     1.3541  0.6776  0.8616  0.2267  0.0000
./arbsrc_9167/GDE/PHYLIP/doc/protpars.html0000644012664100000130000003336511213220011020041 0ustar arb_buildcoders protpars

version 3.6

PROTPARS -- Protein Sequence Parsimony Method

© Copyright 1986-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program infers an unrooted phylogeny from protein sequences, using a new method intermediate between the approaches of Eck and Dayhoff (1966) and Fitch (1971). Eck and Dayhoff (1966) allowed any amino acid to change to any other, and counted the number of such changes needed to evolve the protein sequences on each given phylogeny. This has the problem that it allows replacements which are not consistent with the genetic code, counting them equally with replacements that are consistent. Fitch, on the other hand, counted the minimum number of nucleotide substitutions that would be needed to achieve the given protein sequences. This counts silent changes equally with those that change the amino acid.

The present method insists that any changes of amino acid be consistent with the genetic code so that, for example, lysine is allowed to change to methionine but not to proline. However, changes between two amino acids via a third are allowed and counted as two changes if each of the two replacements is individually allowed. This sometimes allows changes that at first sight you would think should be outlawed. Thus we can change from phenylalanine to glutamine via leucine in two steps total. Consulting the genetic code, you will find that there is a leucine codon one step away from a phenylalanine codon, and a leucine codon one step away from glutamine. But they are not the same leucine codon. It actually takes three base substitutions to get from either of the phenylalanine codons TTT and TTC to either of the glutamine codons CAA or CAG. Why then does this program count only two? The answer is that recent DNA sequence comparisons seem to show that synonymous changes are considerably faster and easier than ones that change the amino acid. We are assuming that, in effect, synonymous changes occur so much more readily that they need not be counted. Thus, in the chain of changes TTT (Phe) --> CTT (Leu) --> CTA (Leu) --> CAA (Glu), the middle one is not counted because it does not change the amino acid (leucine).

To maintain consistency with the genetic code, it is necessary for the program internally to treat serine as two separate states (ser1 and ser2) since the two groups of serine codons are not adjacent in the code. Changes to the state "deletion" are counted as three steps to prevent the algorithm from assuming unnecessary deletions. The state "unknown" is simply taken to mean that the amino acid, which has not been determined, will in each part of a tree that is evaluated be assumed be whichever one causes the fewest steps.

The assumptions of this method (which has not been described in the literature), are thus something like this:

  1. Change in different sites is independent.
  2. Change in different lineages is independent.
  3. The probability of a base substitution that changes the amino acid sequence is small over the lengths of time involved in a branch of the phylogeny.
  4. The expected amounts of change in different branches of the phylogeny do not vary by so much that two changes in a high-rate branch are more probable than one change in a low-rate branch.
  5. The expected amounts of change do not vary enough among sites that two changes in one site are more probable than one change in another.
  6. The probability of a base change that is synonymous is much higher than the probability of a change that is not synonymous.

That these are the assumptions of parsimony methods has been documented in a series of papers of mine: (1973a, 1978b, 1979, 1981b, 1983b, 1988b). For an opposing view arguing that the parsimony methods make no substantive assumptions such as these, see the works by Farris (1983) and Sober (1983a, 1983b, 1988), but also read the exchange between Felsenstein and Sober (1986).

The input for the program is fairly standard. The first line contains the number of species and the number of amino acid positions (counting any stop codons that you want to include).

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats described in the Molecular Sequence Programs document. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The protein sequences are given by the one-letter code used by described in the Molecular Sequence Programs documentation file. Note that if two polypeptide chains are being used that are of different length owing to one terminating before the other, they should be coded as (say)

             HIINMA*????
             HIPNMGVWABT

since after the stop codon we do not definitely know that there has been a deletion, and do not know what amino acid would have been there. If DNA studies tell us that there is DNA sequence in that region, then we could use "X" rather than "?". Note that "X" means an unknown amino acid, but definitely an amino acid, while "?" could mean either that or a deletion. The distinction is often significant in regions where there are deletions: one may want to encode a six-base deletion as "-?????" since that way the program will only count one deletion, not six deletion events, when the deletion arises. However, if there are overlapping deletions it may not be so easy to know what coding is correct.

One will usually want to use "?" after a stop codon, if one does not know what amino acid is there. If the DNA sequence has been observed there, one probably ought to resist putting in the amino acids that this DNA would code for, and one should use "X" instead, because under the assumptions implicit in this parsimony method, changes to any noncoding sequence are much easier than changes in a coding region that change the amino acid, so that they shouldn't be counted anyway!

The form of this information is the standard one described in the main documentation file. For the U option the tree provided must be a rooted bifurcating tree, with the root placed anywhere you want, since that root placement does not affect anything.

The options are selected using an interactive menu. The menu looks like this:

Protein parsimony algorithm, version 3.6

Setting for this run:
  U                 Search for best tree?  Yes
  J   Randomize input order of sequences?  No. Use input order
  O                        Outgroup root?  No, use as outgroup species  1
  T              Use Threshold parsimony?  No, use ordinary parsimony
  C               Use which genetic code?  Universal
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, VT52, ANSI)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4          Print out steps in each site  No
  5  Print sequences at all nodes of tree  No
  6       Write out trees onto tree file?  Yes

Are these settings correct? (type Y or the letter for one to change)

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The options U, J, O, T, W, M, and 0 are the usual ones. They are described in the main documentation file of this package. Option I is the same as in other molecular sequence programs and is described in the documentation file for the sequence programs. Option C allows the user to select among various nuclear and mitochondrial genetic codes. There is no provision for coping with data where different genetic codes have been used in different organisms.

In the U (User tree) option, the trees should not be preceded by a line with the number of trees on it.

Output is standard: if option 1 is toggled on, the data is printed out, with the convention that "." means "the same as in the first species". Then comes a list of equally parsimonious trees, and (if option 2 is toggled on) a table of the number of changes of state required in each position. If option 5 is toggled on, a table is printed out after each tree, showing for each branch whether there are known to be changes in the branch, and what the states are inferred to have been at the top end of the branch. If the inferred state is a "?" there will be multiple equally-parsimonious assignments of states; the user must work these out for themselves by hand. If option 6 is left in its default state the trees found will be written to a tree file, so that they are available to be used in other programs.

If the U (User Tree) option is used and more than one tree is supplied, the program also performs a statistical test of each of these trees against the best tree. This test, which is a version of the test proposed by Alan Templeton (1983) and evaluated in a test case by me (1985a). It is closely parallel to a test using log likelihood differences due to Kishino and Hasegawa (1989), and uses the mean and variance of step differences between trees, taken across positions. If the mean is more than 1.96 standard deviations different then the trees are declared significantly different. The program prints out a table of the steps for each tree, the differences of each from the best one, the variance of that quantity as determined by the step differences at individual positions, and a conclusion as to whether that tree is or is not significantly worse than the best one.

The program is derived from MIX but has had some rather elaborate bookkeeping using sets of bits installed. It is not a very fast program but is speeded up substantially over version 3.2.


TEST DATA SET

     5    10
Alpha     ABCDEFGHIK
Beta      AB--EFGHIK
Gamma     ?BCDSFG*??
Delta     CIKDEFGHIK
Epsilon   DIKDEFGHIK


CONTENTS OF OUTPUT FILE (with all numerical options on)


Protein parsimony algorithm, version 3.6



     3 trees in all found




     +--------Gamma     
     !  
  +--2     +--Epsilon   
  !  !  +--4  
  !  +--3  +--Delta     
  1     !  
  !     +-----Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of     16.000

steps in each position:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       3   1   5   3   2   0   0   2   0
   10!   0                                    

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)


         1                ANCDEFGHIK 
  1      2         no     .......... 
  2   Gamma        yes    ?B..S..*?? 
  2      3         yes    ..?....... 
  3      4         yes    ?IK....... 
  4   Epsilon     maybe   D......... 
  4   Delta        yes    C......... 
  3   Beta         yes    .B--...... 
  1   Alpha       maybe   .B........ 





           +--Epsilon   
        +--4  
     +--3  +--Delta     
     !  !  
  +--2  +-----Gamma     
  !  !  
  1  +--------Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of     16.000

steps in each position:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       3   1   5   3   2   0   0   2   0
   10!   0                                    

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)


         1                ANCDEFGHIK 
  1      2         no     .......... 
  2      3        maybe   ?......... 
  3      4         yes    .IK....... 
  4   Epsilon     maybe   D......... 
  4   Delta        yes    C......... 
  3   Gamma        yes    ?B..S..*?? 
  2   Beta         yes    .B--...... 
  1   Alpha       maybe   .B........ 





           +--Epsilon   
     +-----4  
     !     +--Delta     
  +--3  
  !  !     +--Gamma     
  1  +-----2  
  !        +--Beta      
  !  
  +-----------Alpha     

  remember: this is an unrooted tree!


requires a total of     16.000

steps in each position:
         0   1   2   3   4   5   6   7   8   9
     *-----------------------------------------
    0!       3   1   5   3   2   0   0   2   0
   10!   0                                    

From    To     Any Steps?    State at upper node
                             ( . means same as in the node below it on tree)


         1                ANCDEFGHIK 
  1      3         no     .......... 
  3      4         yes    ?IK....... 
  4   Epsilon     maybe   D......... 
  4   Delta        yes    C......... 
  3      2         no     .......... 
  2   Gamma        yes    ?B..S..*?? 
  2   Beta         yes    .B--...... 
  1   Alpha       maybe   .B........ 


./arbsrc_9167/GDE/PHYLIP/doc/restdist.html0000644012664100000130000004216711213220011020030 0ustar arb_buildcoders restdist

version 3.6

RESTDIST -- Program to compute distance matrix
from restriction sites or fragments

© Copyright 2000-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

Restdist reads the same restriction sites format as RESTML and computes a restriction sites distance. It can also compute a restriction fragments distance. The original restriction fragments and restriction sites distance methods were introduced by Nei and Li (1979). Their original method for restriction fragments is also available in this program, although its default methods are my modifications of the original Nei and Li methods.

These two distances assume that the restriction sites are accidental byproducts of random change of nucleotide sequences. For my restriction sites distance the DNA sequences are assumed to be changing according to the Kimura 2-parameter model of DNA change (Kimura, 1980). The user can set the transition/transversion rate for the model. For my restriction fragments distance there is there is an implicit assumption of a Jukes-Cantor (1969) model of change, The user can also set the parameter of a correction for unequal rates of evolution between sites in the DNA sequences, using a Gamma distribution of rates among sites. The Jukes-Cantor model is also implicit in the restriction fragments distance of Nei and Li(1979). It does not allow us to correct for a Gamma distribution of rates among sites.

Restriction Sites Distance

The restriction sites distances use data coded for the presence of absence of individual restriction sites (usually as + and - or 0 and 1). My distance is based on the proportion, out of all sites observed in one species or the other, which are present in both species. This is done to correct for the ascertainment of sites, for the fact that we are not aware of many sites because they do not appear in any species.

My distance starts by computing from the particular pair of species the fraction

                 n++
   f =  ---------------------
         n++ + 1/2 (n+- + n-+)
where n++ is the number of sites contained in both species, n+- is the number of sites contained in the first of the two species but not in the second, and n-+ is the number of sites contained in the second of the two species but not in the first. This is the fraction of sites that are present in one species which are present in both. Since the number of sites present in the two species will often differ, the denominator is the average of the number of sites found in the two species.

If each restriction site is s nucleotides long, the probability that a restriction site is present in the other species, given that it is present in a species, is

      Qs,
where Q is the probability that a nucleotide has no net change as one goes from the one species to the other. It may have changed in between; we are interested in the probability that that nucleotide site is in the same base in both species, irrespective of what has happened in between.

The distance is then computed by finding the branch length of a two-species tree (connecting these two species with a single branch) such that Q equals the s-th root of f. For this the program computes Q for various values of branch length, iterating them by a Newton-Raphson algorithm until the two quantities are equal.

The resulting distance should be numerically close to the original restriction sites distance of Nei and Li (1979). It is inspired by theirs, but theirs differs by implicitly assuming a symmetric Jukes-Cantor (1969) model of nucleotide change, and theirs does not include a correction for Gamma distribution of rate of change among nucleotide sites.

Restriction Fragments Distance

For restriction fragments data we use a different distance. If we average over all restriction fragment lengths, each at its own expected frequency, the probability that the fragment will still be in existence after a certain amount of branch length, we must take into account the probability that the two restriction sites at the ends of the fragment do not mutate, and the probability that no new restriction site occurs within the fragment in that amount of branch length. The result for a restriction site length of s is:

                Q2s
          f = --------
               2 - Qs
(The details of the derivation will be given in my forthcoming book Inferring Phylogenies (to be published by Sinauer Associates in 2001). Given the observed fraction of restriction sites retained, f, we can solve a quadratic equation from the above expression for Qs. That makes it easy to obtain a value of Q, and the branch length can then be estimated by adjusting it so the probability of a base not changing is equal to that value.

Alternatively, if we use the Nei and Li (1979) restriction fragments distance, this involves solving for g in the nonlinear equation

       g  =  [ f (3 - 2g) ]1/4
and then the distance is given by
       d  =  - (2/r) loge(g)
where r is the length of the restriction site.

Comparing these two restriction fragments distances in a case where their underlying DNA model is the same (which is when the transition/transversion ratio of the modified model is set to 0.5), you will find that they are very close to each other, differing very little at small distances, with the modified distance become smaller than the Nei/Li distance at larger distances. It will therefore matter very little which one you use.

A Comment About RAPDs and AFLPs

Although these distances are designed for restriction sites and restriction fragments data, they can be applied to RAPD and AFLP data as well. RAPD (Randomly Amplified Polymorphic DNA) and AFLP (Amplified Fragment Length Polymorphism) data consist of presence or absence of individual bands on a gel. The bands are segments of DNA with PCR primers at each end. These primers are defined sequences of known length (often about 10 nucleotides each). For AFLPs the reolevant length is the primer length, plus three nucleotides. Mutation in these sequences makes them no longer be primers, just as in the case of restriction sites. Thus a pair of 10-nucleotide primers will behave much the same as a 20-nucleotide restriction site. You can use the restriction sites distance as the distance between RAPD or AFLP patterns if you set the proper value for the total length of the site to the total length of the primers (plus 6 in the case of AFLPs). Of course there are many possible sources of noise in these data, including confusing fragments of similar length for each other and having primers near each other in the genome, and these are not taken into account in the statistical model used here.

INPUT FORMAT AND OPTIONS

The input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of sites, but there is also a third number, which is the number of different restriction enzymes that were used to detect the restriction sites. Thus a data set with 10 species and 35 different sites, representing digestion with 4 different enzymes, would have the first line of the data file look like this:

   10   35    4

The site data are in standard form. Each species starts with a species name whose maximum length is given by the constant "nmlngth" (whose value in the program as distributed is 10 characters). The name should, as usual, be padded out to that length with blanks if necessary. The sites data then follows, one character per site (any blanks will be skipped and ignored). Like the DNA and protein sequence data, the restriction sites data may be either in the "interleaved" form or the "sequential" form. Note that if you are analyzing restriction sites data with the programs DOLLOP or MIX or other discrete character programs, at the moment those programs do not use the "aligned" or "interleaved" data format. Therefore you may want to avoid that format when you have restriction sites data that you will want to feed into those programs.

The presence of a site is indicated by a "+" and the absence by a "-". I have also allowed the use of "1" and "0" as synonyms for "+" and "-", for compatibility with MIX and DOLLOP which do not allow "+" and "-". If the presence of the site is unknown (for example, if the DNA containing it has been deleted so that one does not know whether it would have contained the site) then the state "?" can be used to indicate that the state of this site is unknown.

The options are selected using an interactive menu. The menu looks like this:


Restriction site or fragment distances, version 3.6a3

Settings for this run:
  R           Restriction sites or fragments?  Sites
  G  Gamma distribution of rates among sites?  No
  T            Transition/transversion ratio?  2.000000
  S                              Site length?  6.0
  L                  Form of distance matrix?  Square
  M               Analyze multiple data sets?  No
  I              Input sequences interleaved?  Yes
  0       Terminal type (IBM PC, ANSI, none)?  (none)
  1       Print out the data at start of run?  No
  2     Print indications of progress of run?  Yes

  Y to accept these or type the letter for one to change

The user either types "Y" (followed, of course, by a carriage-return) if the settings shown are to be accepted, or the letter or digit corresponding to an option that is to be changed.

The R option toggles between a restriction sites distance, which is the default setting, and a restriction fragments distance. In the latter case, another option appears, the N (Nei/Li) option. This allows the user to choose the original Nei and Li (1979) restriction fragments distance rather than my modified Nei/Li distance, which is the default.

If the G (Gamma distribution) option is selected, the user will be asked to supply the coefficient of variation of the rate of substitution among sites. This is different from the parameters used by Nei and Jin, who introduced Gamma distribution of rates in DNA distances, but related to their parameters: their parameter a is also known as "alpha", the shape parameter of the Gamma distribution. It is related to the coefficient of variation by

     CV = 1 / a1/2

or

     a = 1 / (CV)2

(their parameter b is absorbed here by the requirement that time is scaled so that the mean rate of evolution is 1 per unit time, which means that a = b). As we consider cases in which the rates are less variable we should set a larger and larger, as CV gets smaller and smaller.

The Gamma distribution option is not available when using the original Nei/Li restriction fragments distance.

The T option is the Transition/transversion option. The user is prompted for a real number greater than 0.0, as the expected ratio of transitions to transversions. Note that this is the resulting expected ratio of transitions to transversions. The default value of the T parameter if you do not use the T option is 2.0. The T option is not available when you choose the original Nei/Li restriction fragment distance, which assumes a Jukes-Cantor (1969) model of DNA change, for which the transition/transversion ratio is in effect fixed at 0.5.

The S option selects the site length. This is set to a default value of 6. It can be set to any positive integer. While in the RESTML program there is an upper limit on the restriction site length (set by memory limitations), in RESTDIST there is no effective limit on the size of the restriction sites. A value of 20, which might be appropriate in many cases for RAPD or AFLP data, is typically not practical in RESTML, but it is useable in RESTDIST.

Option L specifies that the output file will have a square matrix of distances. It can be used to change to lower-triangular data matrices. This will usually not be necessary, but if the distance matrices are going to be very large, this alternative can reduce their size by half. The programs which are to use them should then of course be informed that they can expect lower-triangular distance matrices.

The M, I, and 0 options are the usual Multiple data set, Interleaved input, and screen terminal type options. These are described in the main documentation file.

Option 1 specifies that the input data will be written out on the output file before the distances. This is off by default. If it is done, it will make the output file unusable as input to our distance matrix programs.

Option 2 turns off or on the indications of the progress of the run. The program prints out a row of dots (".") indicating the calculation of individual distances. Since the distance matrix is symmetrical, the program only computes the distances for the upper triangle of the distance matrix, and then duplicates the distance to the other corner of the matrix. Thus the rows of dots start out of full length, and then egt shorter and shorter.

OUTPUT FORMAT

The output file contains on its first line the number of species. The distance matrix is then printed in standard form, with each species starting on a new line with the species name, followed by the distances to the species in order. These continue onto a new line after every nine distances. If the L option is used, the matrix or distances is in lower triangular form, so that only the distances to the other species that precede each species are printed. Otherwise the distance matrix is square with zero distances on the diagonal. In general the format of the distance matrix is such that it can serve as input to any of the distance matrix programs.

If the option to print out the data is selected, the output file will precede the data by more complete information on the input and the menu selections. The output file begins by giving the number of species and the number of characters.

The distances printed out are scaled in terms of expected numbers of substitutions per DNA site, counting both transitions and transversions but not replacements of a base by itself, and scaled so that the average rate of change, averaged over all sites analyzed, is set to 1.0. Thus when the G option is used, the rate of change at one site may be higher than at another, but their mean is expected to be 1.

PROGRAM CONSTANTS

The constants available to be changed are "initialv" and "iterationsr". The constant "initialv" is the starting value of the distance in the iterations. This will typically not need to be changed. The constant "iterationsr" is the number of times that the Newton-Raphson method which is used to solve the equations for the distances is iterated. The program can be speeded up by reducing the number of iterations from the default value of 20, but at the possible risk of computing the distance less accurately.

FUTURE OF THE PROGRAM

The present program does not compute the original distance of Nei and Li (1979) for restriction sites (though it does have an option to compute their original distance for restriction fragments). I hope to add their restriction sites distance in the near future.


TEST DATA SET

   5   13   2
Alpha     ++-+-++--+++-
Beta      ++++--+--+++-
Gamma     -+--+-++-+-++
Delta     ++-+----++---
Epsilon   ++++----++---


CONTENTS OF OUTPUT FILE (with all numerical options on)

(Note that when the options for displaying the input data are turned off, the output is in a form suitable for use as an input file in the distance matrix programs).


    5 Species,   13 Sites

Name            Sites
----            -----

Alpha        ++-+-++--+ ++-
Beta         ++++--+--+ ++-
Gamma        -+--+-++-+ -++
Delta        ++-+----++ ---
Epsilon      ++++----++ ---


Alpha       0.0000  0.0224  0.1077  0.0688  0.0826
Beta        0.0224  0.0000  0.1077  0.0688  0.0442
Gamma       0.1077  0.1077  0.0000  0.1765  0.1925
Delta       0.0688  0.0688  0.1765  0.0000  0.0197
Epsilon     0.0826  0.0442  0.1925  0.0197  0.0000
./arbsrc_9167/GDE/PHYLIP/doc/restml.html0000644012664100000130000005006311213220011017467 0ustar arb_buildcoders restml

version 3.6

RESTML -- Restriction sites Maximum Likelihood program

© Copyright 1986-2000 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program implements a maximum likelihood method for restriction sites data (not restriction fragment data). This program is one of the slowest programs in this package, and can be very tedious to run. It is possible to have the program search for the maximum likelihood tree. It will be more practical for some users (those that do not have fast machines) to use the U (User Tree) option, which takes less run time, optimizing branch lengths and computing likelihoods for particular tree topologies suggested by the user. The model used here is essentially identical to that used by Smouse and Li (1987) who give explicit expressions for computing the likelihood for three-species trees. It does not place prior probabilities on trees as they do. The present program extends their approach to multiple species by a technique which, while it does not give explicit expressions for likelihoods, does enable their computation and the iterative improvement of branch lengths. It also allows for multiple restriction enzymes. The algorithm has been described in a paper (Felsenstein, 1992). Another relevant paper is that of DeBry and Slade (1985).

The assumptions of the present model are:

  1. Each restriction site evolves independently.
  2. Different lineages evolve independently.
  3. Each site undergoes substitution at an expected rate which we specify.
  4. Substitutions consist of replacement of a nucleotide by one of the other three nucleotides, chosen at random.

Note that if the existing base is, say, an A, the chance of it being replaced by a G is 1/3, and so is the chance that it is replaced by a T. This means that there can be no difference in the (expected) rate of transitions and transversions. Users who are upset at this might ponder the fact that a version allowing different rates of transitions and transversions would run an estimated 16 times slower. If it also allowed for unequal frequencies of the four bases, it would run about 300,000 times slower! For the moment, until a better method is available, I guess I'll stick with this one!

INPUT FORMAT AND OPTIONS

Subject to these assumptions, the program is an approximately correct maximum likelihood method. The input is fairly standard, with one addition. As usual the first line of the file gives the number of species and the number of sites, but there is also a third number, which is the number of different restriction enzymes that were used to detect the restriction sites. Thus a data set with 10 species and 35 different sites, representing digestion with 4 different enzymes, would have the first line of the data file look like this:

   10   35    4

The first line of the data file will also contain a letter W following these numbers (and separated from them by a space) if the Weights option is being used. As with all programs using the weights option, a line or lines must then follow, before the data, with the weights for each site.

The site data are in standard form. Each species starts with a species name whose maximum length is given by the constant "nmlngth" (whose value in the program as distributed is 10 characters). The name should, as usual, be padded out to that length with blanks if necessary. The sites data then follows, one character per site (any blanks will be skipped and ignored). Like the DNA and protein sequence data, the restriction sites data may be either in the "interleaved" form or the "sequential" form. Note that if you are analyzing restriction sites data with the programs DOLLOP or MIX or other discrete character programs, at the moment those programs do not use the "aligned" or "interleaved" data format. Therefore you may want to avoid that format when you have restriction sites data that you will want to feed into those programs.

The presence of a site is indicated by a "+" and the absence by a "-". I have also allowed the use of "1" and "0" as synonyms for "+" and "-", for compatibility with MIX and DOLLOP which do not allow "+" and "-". If the presence of the site is unknown (for example, if the DNA containing it has been deleted so that one does not know whether it would have contained the site) then the state "?" can be used to indicate that the state of this site is unknown.

User-defined trees may follow the data in the usual way. The trees must be unrooted, which means that at their base they must have a trifurcation.

The options are selected by a menu, which looks like this:


Restriction site Maximum Likelihood method, version 3.6

Settings for this run:
  U                 Search for best tree?  Yes
  A               Are all sites detected?  No
  S        Speedier but rougher analysis?  Yes
  G                Global rearrangements?  No
  J   Randomize input order of sequences?  No. Use input order
  L                          Site length?  6
  O                        Outgroup root?  No, use as outgroup species  1
  M           Analyze multiple data sets?  No
  I          Input sequences interleaved?  Yes
  0   Terminal type (IBM PC, ANSI, none)?  (none)
  1    Print out the data at start of run  No
  2  Print indications of progress of run  Yes
  3                        Print out tree  Yes
  4       Write out trees onto tree file?  Yes

  Y to accept these or type the letter for one to change

The U, J, O, M, and 0 options are the usual ones, described in the main documentation file. The user trees for option U are read from a file whose default name is intree. The I option selects between Interleaved and Sequential input data formats, and is described in the documentation file for the molecular sequences programs.

The G (global search) option causes, after the last species is added to the tree, each possible group to be removed and re-added. This improves the result, since the position of every species is reconsidered. It approximately triples the run-time of the program.

The two options specific to this program are the A, and L options. The L (Length) option allows the user to specify the length in bases of the restriction sites. Allowed values are 1 to 8 (the constant "maxcutter" in file phylip.h controls the maximum allowed value). At the moment the program assumes that all sites have the same length (for example, that all enzymes are 6-base-cutters). The default value for this parameter is 6, which will be used if the L option is not invoked. A desirable future development for the package would be allowing the L parameter to be different for every site. It would also be desirable to allow for ambiguities in the recognition site, since some enzymes recognize 2 or 4 sequences. Both of these would require fairly complicated programming or else slower execution times.

The A (All) option specifies that all sites are detected, even those for which all of the species have the recognition sequence absent (character state "-"). The default condition is that it is assumed that such sites will not occur in the data. The likelihood computed when the A option is not used is the probability of the pattern of sites given that tree and conditional on the pattern not being all absences. This will be realistic for most data, except for cases in which the data are extracted from sites data for a larger number of species, in which case some of the site positions could have all absences in the subset of species. In such cases an effective way of analyzing the data would be to omit those sites and not use the A option, as such positions, even if not absolutely excluded, are nevertheless less likely than random to have been incorporated in the data set.

The W (Weights) option, which is invoked in the input file rather than in the menu, allows the user to select a subset of sites to be analyzed. It is invoked in the usual way, except that only weights 0 and 1 are allowed. If the W option is not used, all sites will be analyzed. If the Weights option is used, there must be a W in the first line of the input file.

OUTPUT FORMAT

The output starts by giving the number of species, and the number of sites. If the default condition is used instead of the A option the program states that it is assuming that sites absent in all species have been omitted. The value of the site length (6 bases, for example) is also given.

If option 2 (print out data) has been selected, there then follow the restriction site sequences, printed in groups of ten sites. The trees found are printed as an unrooted tree topology (possibly rooted by outgroup if so requested). The internal nodes are numbered arbitrarily for the sake of identification. The number of trees evaluated so far and the log likelihood of the tree are also given.

A table is printed showing the length of each tree segment, as well as (very) rough confidence limits on the length. As with DNAML, if a confidence limit is negative, this indicates that rearrangement of the tree in that region is not excluded, while if both limits are positive, rearrangement is still not necessarily excluded because the variance calculation on which the confidence limits are based results in an underestimate, which makes the confidence limits too narrow.

In addition to the confidence limits, the program performs a crude Likelihood Ratio Test (LRT) for each branch of the tree. The program computes the ratio of likelihoods with and without this branch length forced to zero length. This done by comparing the likelihoods changing only that branch length. A truly correct LRT would force that branch length to zero and also allow the other branch lengths to adjust to that. The result would be a likelihood ratio closer to 1. Therefore the present LRT will err on the side of being too significant.

One should also realize that if you are looking not at a previously-chosen branch but at all branches, that you are seeing the results of multiple tests. With 20 tests, one is expected to reach significance at the P = .05 level purely by chance. You should therefore use a much more conservative significance level, such as .05 divided by the number of tests. The significance of these tests is shown by printing asterisks next to the confidence interval on each branch length. It is important to keep in mind that both the confidence limits and the tests are very rough and approximate, and probably indicate more significance than they should. Nevertheless, maximum likelihood is one of the few methods that can give you any indication of its own error; most other methods simply fail to warn the user that there is any error! (In fact, whole philosophical schools of taxonomists exist whose main point seems to be that there isn't any error, that the "most parsimonious" tree is the best tree by definition and that's that).

The log likelihood printed out with the final tree can be used to perform various likelihood ratio tests. Remember that testing one tree topology against another is not a simple matter, because two different tree topologies are not hypotheses that are nested one within the other. If the trees differ by only one branch swap, it seems to be conservative to test the difference between their likelihoods with one degree of freedom, but other than that little is known and more work on this is needed.

If the U (User Tree) option is used and more than one tree is supplied, and the program is not told to assume autocorrelation between the rates at different sites, the program also performs a statistical test of each of these trees against the one with highest likelihood. If there are two user trees, the test done is one which is due to Kishino and Hasegawa (1989), a version of a test originally introduced by Templeton (1983). In this implementation it uses the mean and variance of log-likelihood differences between trees, taken across sites. If the two trees' means are more than 1.96 standard deviations different then the trees are declared significantly different. This use of the empirical variance of log-likelihood differences is more robust and nonparametric than the classical likelihood ratio test, and may to some extent compensate for the any lack of realism in the model underlying this program.

If there are more than two trees, the test done is an extension of the KHT test, due to Shimodaira and Hasegawa (1999). They pointed out that a correction for the number of trees was necessary, and they introduced a resampling method to make this correction. In the version used here the variances and covariances of the sum of log likelihoods across sites are computed for all pairs of trees. To test whether the difference between each tree and the best one is larger than could have been expected if they all had the same expected log-likelihood, log-likelihoods for all trees are sampled with these covariances and equal means (Shimodaira and Hasegawa's "least favorable hypothesis"), and a P value is computed from the fraction of times the difference between the tree's value and the highest log-likelihood exceeds that actually observed. Note that this sampling needs random numbers, and so the program will prompt the user for a random number seed if one has not already been supplied. With the two-tree KHT test no random numbers are used.

In either the KHT or the SH test the program prints out a table of the log-likelihoods of each tree, the differences of each from the highest one, the variance of that quantity as determined by the log-likelihood differences at individual sites, and a conclusion as to whether that tree is or is not significantly worse than the best one.

The branch lengths printed out are scaled in terms of expected numbers of base substitutions, not counting replacements of a base by itself. Of course, when a branch is twice as long this does not mean that there will be twice as much net change expected along it, since some of the changes occur in the same site and overlie or even reverse each other. Confidence limits on the branch lengths are also given. Of course a negative value of the branch length is meaningless, and a confidence limit overlapping zero simply means that the branch length is not necessarily significantly different from zero. Because of limitations of the numerical algorithm, branch length estimates of zero will often print out as small numbers such as 0.00001. If you see a branch length that small, it is really estimated to be of zero length.

Another possible source of confusion is the existence of negative values for the log likelihood. This is not really a problem; the log likelihood is not a probability but the logarithm of a probability, and since probabilities never exceed 1.0 this logarithm will typically be negative. The log likelihood is maximized by being made more positive: -30.23 is worse than -29.14. The log likelihood will not always be negative since a combinatorial constant has been left out of the expression for the likelihood. This does not affect the tree found or the likelihood ratios (or log likelihood differences) between trees.

THE ALGORITHM

The program uses a Newton-Raphson algorithm to update one branch length at a time. This is faster than the EM algorithm which was described in my paper on restriction sites maximum likelihood (Felsenstein, 1992). The likelihood that is being maximized is the same one used by Smouse and Li (1987) extended for multiple species. moving down on the likelihood surface. You may have to "tune" the value of extrapol to suit your data.

PROGRAM CONSTANTS

The constants include "maxcutter" (set in phylip.h), the maximum length of an enzyme recognition site. The memory used by the program will be approximately proportional to this value, which is 8 in the distribution copy. The program also uses constants "iterations" and "smoothings", and decreasing "epsilon". Reducing "iterations" and "smoothings" or increasing "epsilon" will result in faster execution but a worse result. These values will not usually have to be changed.

The program spends most of its time doing real arithmetic. The algorithm, with separate and independent computations occurring at each site, lends itself readily to parallel processing.

A feature of the algorithm is that it saves time by recognizing sites at which the pattern of presence/absence is the same, and does that computation only once. Thus if we have only four species but a large number of sites, there are only about (ignoring ambiguous bases) 16 different patterns of presence/absence (2 x 2 x 2 x 2) that can occur. The program automatically counts occurrences of each and does the computation for each pattern only once, so that it only needs to do as much computation as would be needed with at most 16 sites, even though the number of sites is actually much larger. Thus the program will run very effectively with few species and many sites.

PAST AND FUTURE OF THE PROGRAM

This program was developed by modifying DNAML version 3.1 and also adding some of the modifications that were added to DNAML version 3.2, with which it shares many of its data structures and much of its strategy. Version 3.6 changed from EM iterations of branch lengths, which involved arbitrary extrapolation factors, to the Newton-Raphson algorithm, which improved the speed of the program (though only from "very slow" to "slow").

There are a number of obvious directions in which the program needs to be modified in the future. Extension to allow for different rates of transition and transversion is straightforward, but would slow down the program considerably, as I have mentioned above. I have not included in the program any provision for saving and printing out multiple trees tied for highest likelihood, in part because an exact tie is unlikely.


TEST DATA SET

   5   13   2
Alpha     ++-+-++--+++-
Beta      ++++--+--+++-
Gamma     -+--+-++-+-++
Delta     ++-+----++---
Epsilon   ++++----++---


CONTENTS OF OUTPUT FILE (if all numerical options are on)


Restriction site Maximum Likelihood method, version 3.6

   5 Species,   13 Sites,   2 Enzymes

  Recognition sequences all 6 bases long

Sites absent from all species are assumed to have been omitted


Name            Sites
----            -----

Alpha        ++-+-++--+ ++-
Beta         ++++--+--+ ++-
Gamma        -+--+-++-+ -++
Delta        ++-+----++ ---
Epsilon      ++++----++ ---





  +----Gamma     
  |  
  |     +Epsilon   
  |  +--3  
  1--2  +Delta     
  |  |  
  |  +Beta      
  |  
  +Alpha     


remember: this is an unrooted tree!

Ln Likelihood =   -40.34358

 
 Between        And            Length      Approx. Confidence Limits
 -------        ---            ------      ------- ---------- ------
   1          Gamma           0.10813     (  0.01154,     0.21901) **
   1             2            0.01156     (     zero,     0.04578)
   2             3            0.05885     (     zero,     0.12697) **
   3          Epsilon         0.00100     (     zero,     0.00617)
   3          Delta           0.01460     (     zero,     0.05036)
   2          Beta            0.00100     (     zero,    infinity)
   1          Alpha           0.01310     (     zero,     0.04806)

     *  = significantly positive, P < 0.05
     ** = significantly positive, P < 0.01


./arbsrc_9167/GDE/PHYLIP/doc/retree.html0000644012664100000130000004521411213220011017451 0ustar arb_buildcoders retree

version 3.6

RETREE -- Interactive Tree Rearrangement

© Copyright 1993-2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

RETREE is a tree editor. It reads in a tree, or allows the user to construct one, and displays this tree on the screen. The user then can specify how the tree is to be rearraranged, rerooted or written out to a file.

The input trees are in one file (with default file name intree), the output trees are written into another (outtree). The user can reroot, flip branches, change names of species, change or remove branch lengths, and move around to look at various parts of the tree if it is too large to fit on the screen. The trees can be multifurcating at any level, although the user is warned that many PHYLIP programs still cannot handle multifurcations above the root, or even at the root.

A major use for this program will be to change rootedness of trees so that a rooted tree derived from one program can be fed in as an unrooted tree to another (you are asked about this when you give the command to write out the tree onto the tree output file). It will also be useful for specifying the length of a branch in a tree where you want a program like DNAML, DNAMLK, FITCH, or CONTML to hold that branch length constant (see the L suboption of the User Tree option in those programs. It will also be useful for changing the order of species for purely cosmetic reasons for DRAWGRAM and DRAWTREE, including using the Midpoint method of rooting the tree. It can also be used to write out a tree file in the Nexus format used by Paup and MacClade or in our XML tree file format.

This program uses graphic characters that show the tree to best advantage on some computer systems. Its graphic characters will work best on MSDOS systems or MSDOS windows in Windows, and to any system whose screen or terminals emulate ANSI standard terminals such as old Digitial VT100 terminals, Telnet programs, or VT100-compatible windows in the X windowing system. For any other screen types, (such as Macintosh windows) there is a generic option which does not make use of screen graphics characters. The program will work well in those cases, but the tree it displays will look a bit uglier.

The user interaction starts with the program presenting a menu. The menu looks like this:


Tree Rearrangement, version 3.6a3

Settings for this run:
  U          Initial tree (arbitrary, user, specify)?  User tree from tree file
  N   Format to write out trees (PHYLIP, Nexus, XML)?  PHYLIP
  0                     Graphics type (IBM PC, ANSI)?  (none)
  W       Width of terminal screen, of plotting area?  80, 80
  L                        Number of lines on screen?  24

Are these settings correct? (type Y or the letter for one to change)

The 0 (Graphics type) option is the usual one and is described in the main documentation file. The U (initial tree) option allows the user to choose whether the initial tree is to be arbitrary, interactively specified by the user, or read from a tree file. Typing U causes the program to change among the three possibilities in turn. Usually we will want to use a User Tree from a file. It requires that you have available a tree file with the tree topology of the initial tree. If you wish to set up some other particular tree you can either use the "specify" choice in the initial tree option (which is somewhat clumsy to use) or rearrange a User Tree of an arbitrary tree into the shape you want by using the rearrangement commands given below.

The L (screen Lines) option allows the user to change the height of the screen (in lines of characters) that is assumed to be available on the display. This may be particularly helpful when displaying large trees on displays that have more than 24 lines per screen, or on workstation or X-terminal screens that can emulate the ANSI terminals with more than 24 lines.

The N (output file format) option allows the user to specify that the tree files that are written by the program will be in one of three formats:

  1. The PHYLIP default file format (the Newick standard) used by the programs in this package.
  2. The Nexus format defined by David Swofford and by Wayne Maddison and David Maddison for their programs PAUP and MacClade. A tree file written in Nexus format should be directly readable by those programs (They also have options to read a regular PHYLIP tree file as well).
  3. An XML tree file format which we have defined.

The XML tree file format is fairly simple. Each tree is included in tags <PHYLOGENY> ... </PHYLOGENY>. Each branch of the tree is enclosed in a pair of tags <BRANCH> ... </BRANCH>, which enclose the branch and all its descendants. If the branch has a length, this is given by the LENGTH attribute of the BRANCH tag, so that the pair of tags looks like this:

<BRANCH LENGTH=0.09362> ... </BRANCH>

A tip of the tree is at the end of a branch (and hence enclosed in a pair of <BRANCH> ... </BRANCH> tags. Its name is enclosed by <NAME> ... </NAME> tags. Here is an XML tree:

<phylogeny>
  <branch>
    <branch length=0.87231><name>Mouse</name></branch>
    <branch length=0.49807><name>Bovine</name></branch>
    <branch length=0.39538>
      <branch length=0.25930><name>Gibbon</name></branch>
      <branch length=0.10815>
        <branch length=0.24166><name>Orang</name></branch>
        <branch length=0.04405>
          <branch length=0.12322><name>Gorilla</name></branch>
          <branch length=0.06026>
            <branch length=0.13846><name>Chimp</name></branch>
            <branch length=0.0857><name>Human</name></branch>
          </branch>
        </branch>
      </branch>
    </branch>
  </branch>
</phylogeny>

The indentation is for readability but is not part of the XML tree standard, which ignores that kind of white space.

What programs can read an XML tree? None right now, not even PHYLIP programs. But soon our lab's LAMARC package will have programs that can read an XML tree. XML is rapidly becoming the standard for representing and interchanging complex data -- it is time to have an XML tree standard. Certain extensions are obvious (to represent the bootstrap proportion for a branch, use BOOTP=0.83 in the BRANCH tag, for example).

The W (screen and window Width) option specifies the width in characters of the area which the trees will be plotted to fit into. This is by default 80 characters so that they will fit on a normal width terminal. The actual width of the display on the terminal (normally 80 characters) will be regarded as a window displaying part of the tree. Thus you could set the "plotting area" to 132 characters, and inform the program that the screen width is 80 characters. Then the program will display only part of the tree at any one time. Below we will show how to move the "window" and see other parts of the tree.

After the initial menu is displayed and the choices are made, the program then sets up an initial tree and displays it. Below it will be a one-line menu of possible commands. Here is what the tree and the menu look like (this is the tree specified by the example input tree given at the bottom of this page, as it displays when the terminal type is "none"):

                                      ,>>1:Human
                                   ,>22  
                                ,>21  `>>2:Chimp
                                !  !  
                             ,>20  `>>>>>3:Gorilla
                             !  !  
                 ,>>>>>>>>>>19  `>>>>>>>>4:Orang
                 !           !  
              ,>18           `>>>>>>>>>>>5:Gibbon
              !  !  
              !  !              ,>>>>>>>>6:Barbary Ma
              !  `>>>>>>>>>>>>>23  
              !                 !  ,>>>>>7:Crab-e. Ma
     ,>>>>>>>17                 `>24  
     !        !                    !  ,>>8:Rhesus Mac
     !        !                    `>25  
     !        !                       `>>9:Jpn Macaq
  ,>16        !  
  !  !        `>>>>>>>>>>>>>>>>>>>>>>>>>10:Squir. Mon
  !  !  
  !  !                                ,>11:Tarsier
** 7 lines below screen **

NEXT? (Options: R . U W O T F D B N H J K L C + ? X Q) (? for Help) 

The tree that was read in had no branch lengths on its branches. The absence of a branch length is indicated by drawing the branch with ">" characters (>>>>>>>). When branches have branch lengths, they are drawn with "-" characters (-------) and their lengths on the screen are approximately proportional to the branch length.

If you type "?" you will get a single screen showing a description of each of these commands in a few words. Here are slightly more detailed descriptions of the commands:

R
("Rearrange"). This command asks for the number of a node which is to be removed from the tree. It and everything to the right of it on the tree is to be removed (by breaking the branch immediately below it). (This is also everything "above" it on the tree when the tree grows upwards, but as the tree grows from left to right on the screen we use "right" rather than "above"). The command also asks whether that branch is to be inserted At a node or Before a node. The first will insert it as an additional branch coming out of an existing node (creating a more multifurcating tree), and the second will insert it so that a new internal node is created in the tree, located in the branch that precedes the node (to the left of it), with the branch that is inserted coming off from that new node. In both cases the program asks you for the number of a node at (or before) which that group is to be inserted. If an impossible number is given, the program refuses to carry out the rearrangement and asks for a new command. The rearranged tree is displayed: it will often have a different number of steps than the original. If you wish to undo a rearrangement, use the Undo command, for which see below.

.
(dot) This command simply causes the current tree to be redisplayed. It is of use when the tree has partly disappeared off of the top of the screen owing to too many responses to commands being printed out at the bottom of the screen.

=
(toggle display of branch lengths). This option is available whenever the tree has a full set of branch lengths. It toggles on and off whether the tree displayed on the screen is shown with the relative branch lengths roughly correct. (It cannot be better than roughly correct because the display is in units of length of whole character widths on the screen). It does not actually remove any branch lengths from the tree: if the tree showing on the screen seems to have no branch lengths after use of the "=" option, if it were written out at that point, it would still have a full] set of branch lengths.

U
("Undo"). This command reverses the effect of the most recent rearrangement, outgroup re-rooting, or flipping of branches. It returns to the previous tree topology. It will be of great use when rearranging the tree and when one -- it permits you to abandon the new one and return to the previous one without remembering its topology in detail. Some operations, such as the simultaneous removal of lengths from all branches, cannot be reversed.

W
("Write"). This command writes out the current tree onto a tree output file. If the file already has been written to by this run of RETREE, it will ask you whether you want to replace the contents of the file, add the tree to the end of the file, or not write out the tree to the file. It will also ask you whether you want the tree to written out as Rooted or Unrooted. If you choose Unrooted, it will write the outermost split of the tree as a three-way split with the three branches being those that issue from one of the nodes. This node will be the left (upper) interior node which is next to the root, or the other one if there is no interior node to the left (above) the root. The tree is written in the standard format used by PHYLIP (a subset of the Newick standard), in the Nexus format, or in an XML tree file format. A normal PHYLIP tree is in the proper format to serve as the User-Defined Tree for setting up the initial tree in a subsequent run of the program. However, some programs also require a line in the tree input file that gives the number of trees in the file. You may have to add this line using an editor such as vi, Emacs, Windows Notepad, or MacOS's Simpletext.

O
("Outgroup"). This asks for the number of a node which is to be the outgroup. The tree will be redisplayed with that node as the left descendant of the bottom fork. Note that it is possible to use this to make a multi-species group the outgroup (i.e., you can give the number of an interior node of the tree as the outgroup, and the program will re-root the tree properly with that on the left of the bottom fork.

M
("Midpoint root"). This reroots a tree that has a complete set of branches using the Midpoint rooting method. That rooting method finds the centroid of the tree -- the point that is equidistant from the two farthest points of the tree, and roots the tree there. This is the point in the middle of the longest path from one tip to another in the tree. This has the effect of making the two farthest tips stick out an equal distance to the right. Note that as the tree is rerooted, the scale may change on the screen so that it looks like it ahas suddenly gotted a bit longer. It will not have actually changed in total length. This option is not in the menu if the tree does not have a full set of branch lengths.

T
("Transpose"). This asks for a node number and then flips the two branches at that node, so that the left-right order of branches at that node is changed. This also does not actually change the tree topology but it does change the appearance of the tree. However, unlike the F option discussed below, the individual subtrees defined by those branches do not have the order of any branches reversed in them.

F
("Flip"). This asks for a node number and then flips the entire subtree at that node, so that the left-right order of branches in the whole subtree is changed. This does not actually change the tree topology but it does change the appearance of the tree. Note that it works differently than the F option in the programs MOVE, DNAMOVE, and DOLMOVE, which is actually like the T option mentioned above.

B
("Branch length"). This asks you for the number of a node which is at the end of a branch length, then asks you whether you want to enter a branch length for that branch, change the branch length for that branch (if there is one already) or remove the branch length from the branch.

N
("Name"). This asks you which species you want to change the name for (referring to it by the number for that branch), then gives you the option of either removing the name, typing a new name, or leaving the name as is. Be sure not to try to enter a parentheses ("(" or ")"), a colon (":"), a comma (",") or a semicolon (";") in a name, as those may be mistaken for structural information about the tree when the tree file is read by another program.

H, J, K, or L.
These are the movement commands for scrolling the "window" across a tree. H moves the "window" leftwards (though not beyond column 1, J moves it down, K up, and L right. The "window" will move 20 columns or rows at a time, and the tree will be redrawn in the new "window". Note that this amount of movement is not a full screen.

C
("Clade"). The C command instructs the program to print out only that part of the tree (the "clade") from a certain node on up. The program will prompt you for the number of this node. Remember that thereafter you are not looking at the whole tree. To go back to looking at the whole tree give the C command again and enter "0" for the node number when asked. Most users will not want to use this option unless forced to, as much can be accomplished with the window movement commands H, J, K, and L.

+
("next tree"). This causes the program to read in the next tree in the input file, if there is one. Currently the program does not detect gracefully that it has come to the end of the input tree file, and may crash with a "segmentation fault" if it does. However usually it will not lose any tree file that it has written. On Unix or Linux systems the crash may produce a useless "core dump" (a big file named "core") which you will want to delete.

?
("Help"). Prints a one-screen summary of what the commands do, a few words for each command.

X
("Exit"). Exit from program. If the current tree has not yet been saved into a file, the program will first ask you whether it should be saved.

Q
("Quit"). A synonym for X. Same as the eXit command.

The program was written by Andrew Keeffe, using some code from DNAMOVE, which he also wrote.

Below is a test tree file. We have already showed (above), what the resulting tree display looks like when the terminal type is "none". For ANSI or IBM PC screens it will look better, using the graphics characters of those screens, which we do not attempt to show here.


TEST INPUT TREE FILE

((((((((Human,Chimp),Gorilla),Orang),Gibbon),(Barbary_Ma,(Crab-e._Ma,
(Rhesus_Mac,Jpn_Macaq)))),Squir._Mon),((Tarsier,Lemur),Bovine)),Mouse);
./arbsrc_9167/GDE/PHYLIP/doc/seqboot.html0000644012664100000130000004460711213220011017644 0ustar arb_buildcoders seqboot

version 3.6

SEQBOOT -- Bootstrap, Jackknife, or Permutation Resampling
of Molecular Sequence, Restriction Site,
Gene Frequency or Character Data

© Copyright 1991-2002 by the University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

SEQBOOT is a general bootstrapping and data set translation tool. It is intended to allow you to generate multiple data sets that are resampled versions of the input data set. Since almost all programs in the package can analyze these multiple data sets, this allows almost anything in this package to be bootstrapped, jackknifed, or permuted. SEQBOOT can handle molecular sequences, binary characters, restriction sites, or gene frequencies. It can also convert data sets between Sequential and Interleaved format, and into NEXUS and a new XML sequence alignment format.

To carry out a bootstrap (or jackknife, or permutation test) with some method in the package, you may need to use three programs. First, you need to run SEQBOOT to take the original data set and produce a large number of bootstrapped or jackknifed data sets (somewhere between 100 and 1000 is usually adequate). Then you need to find the phylogeny estimate for each of these, using the particular method of interest. For example, if you were using DNAPARS you would first run SEQBOOT and make a file with 100 bootstrapped data sets. Then you would give this file the proper name to have it be the input file for DNAPARS. Running DNAPARS with the M (Multiple Data Sets) menu choice and informing it to expect 100 data sets, you would generate a big output file as well as a treefile with the trees from the 100 data sets. This treefile could be renamed so that it would serve as the input for CONSENSE. When CONSENSE is run the majority rule consensus tree will result, showing the outcome of the analysis.

This may sound tedious, but the run of CONSENSE is fast, and that of SEQBOOT is fairly fast, so that it will not actually take any longer than a run of a single bootstrap program with the same original data and the same number of replicates. This is not very hard and allows bootstrapping on many of the methods in this package. The same steps are necessary with all of them. Doing things this way some of the intermediate files (the tree file from the DNAPARS run, for example) can be used to summarize the results of the bootstrap in other ways than the majority rule consensus method does.

If you are using the Distance Matrix programs, you will have to add one extra step to this, calculating distance matrices from each of the replicate data sets, using DNADIST or GENDIST. So (for example) you would run SEQBOOT, then run DNADIST using the output of SEQBOOT as its input, then run (say) NEIGHBOR using the output of DNADIST as its input, and then run CONSENSE using the tree file from NEIGHBOR as its input.

The resampling methods available are three:

  • The bootstrap. Bootstrapping was invented by Bradley Efron in 1979, and its use in phylogeny estimation was introduced by me (Felsenstein, 1985b; see also Penny and Hendy, 1985). It involves creating a new data set by sampling N characters randomly with replacement, so that the resulting data set has the same size as the original, but some characters have been left out and others are duplicated. The random variation of the results from analyzing these bootstrapped data sets can be shown statistically to be typical of the variation that you would get from collecting new data sets. The method assumes that the characters evolve independently, an assumption that may not be realistic for many kinds of data.

  • Block-bootstrapping. One pattern of departure from indeopendence of character evolution is correlation of evolution in adjacent characters. When this is thought to have occurred, we can correct for it by samopling, not individual characters, but blocks of adjacent characters. This is called a block bootstrap and was introduced by Künsch (1989). If the correlations are believed to extend over some number of characters, you choose a block size, B, that is larger than this, and choose N/B blocks of size B. In its implementation here the block bootstrap "wraps around" at the end of the characters (so that if a block starts in the last  B-1 characters, it continues by wrapping around to the first character after it reaches the last character). Note also that if you have a DNA sequence data set of an exon of a coding region, you can ensure that equal numbers of first, second, and third coding positions are sampled by using the block bootstrap with B = 3.

  • Delete-half-jackknifing. This alternative to the bootstrap involves sampling a random half of the characters, and including them in the data but dropping the others. The resulting data sets are half the size of the original, and no characters are duplicated. The random variation from doing this should be very similar to that obtained from the bootstrap. The method is advocated by Wu (1986). It was mentioned by me in my bootstrapping paper (Felsenstein, 1985b), and has been available for many years in this program as an option. Jackknifing is advocated by Farris et. al. (1996) but as deleting a fraction 1/e (1/2.71828). This retains too many characters and will lead to overconfidence in the resulting groups.

  • Permuting species within characters. This method of resampling (well, OK, it may not be best to call it resampling) was introduced by Archie (1989) and Faith (1990; see also Faith and Cranston, 1991). It involves permuting the columns of the data matrix separately. This produces data matrices that have the same number and kinds of characters but no taxonomic structure. It is used for different purposes than the bootstrap, as it tests not the variation around an estimated tree but the hypothesis that there is no taxonomic structure in the data: if a statistic such as number of steps is significantly smaller in the actual data than it is in replicates that are permuted, then we can argue that there is some taxonomic structure in the data (though perhaps it might be just a pair of sibling species).

The data input file is of standard form for molecular sequences (either in interleaved or sequential form), restriction sites, gene frequencies, or binary morphological characters.

When the program runs it first asks you for a random number seed. This should be an integer greater than zero (and probably less than 32767) and which is of the form 4n+1, that is, it leaves a remainder of 1 when divided by 4. This can be judged by looking at the last two digits of the integer (for instance 7651 is not of form 4n+1 as 51, when divided by 4, leaves the remainder 3). The random number seed is used to start the random number generator. If the randum number seed is not odd, the program will request it again. Any odd number can be used, but may result in a random number sequence that repeats itself after less than the full one billion numbers. Usually this is not a problem. As the random numbers appear to be unpredictable, there is no such thing as a "good" seed -- the numbers produced from one seed are indistinguishable from those produced by another, and it is not true that the numbers produced from one seed (say 4533) are similar to those produced from a nearby seed (say 4537).

Then the program shows you a menu to allow you to choose options. The menu looks like this:


Bootstrapping algorithm, version 3.6a3

Settings for this run:
  D      Sequence, Morph, Rest., Gene Freqs?  Molecular sequences
  J  Bootstrap, Jackknife, Permute, Rewrite?  Bootstrap
  B      Block size for block-bootstrapping?  1 (regular bootstrap)
  R                     How many replicates?  100
  W              Read weights of characters?  No
  C                Read categories of sites?  No
  F     Write out data sets or just weights?  Data sets
  I             Input sequences interleaved?  Yes
  0      Terminal type (IBM PC, ANSI, none)?  (none)
  1       Print out the data at start of run  No
  2     Print indications of progress of run  Yes

  Y to accept these or type the letter for one to change

The user selects options by typing one of the letters in the left column, and continues to do so until all options are correctly set. Then the program can be run by typing Y.

It is important to select the correct data type (the D selection). Each time D is typed the program will change data type, proceeding successively through Molecular Sequences, Discrete Morphological Characters, Restriction Sites, and Gene Frequencies. Some of these will cause additional entries to appear in the menu. If Molecular Sequences or Restriction Sites settings and chosen the I (Interleaved) option appears in the menu (and as Molecular Sequences are also the default, it therefore appears in the first menu). It is the usual I option discussed in the Molecular Sequences document file and in the main documentation files for the package, and is on by default.

If the Restriction Sites option is chosen the menu option E appears, which asks whether the input file contains a third number on the first line of the file, for the number of restriction enzymes used to detect these sites. This is necessary because data sets for RESTML need this third number, but other programs do not, and SEQBOOT needs to know what to expect.

If the Gene Frequencies option is chosen an menu option A appears which allows the user to specify that all alleles at each locus are in the input file. The default setting is that one allele is absent at each locus.

The J option allows the user to select Bootstrapping, Delete-Half-Jackknifing, or the Archie-Faith permutation of species within characters. It changes successively among these three each time J is typed.

The B option selects the Block Bootstrap. When you select option B the program will ask you to enter the block length. When the block length is 1, this means that we are doing regular bootstrapping rather than block-bootstrapping.

The R option allows the user to set the number of replicate data sets. This defaults to 100. Most statisticians would be happiest with 1000 to 10,000 replicates in a bootstrap, but 100 gives a rough picture. You will have to decide this based on how long a running time you are willing to tolerate.

The W (Weights) option allows weights to be read from a file whose default name is "weights". The weights follow the format described in the main documentation file. Weights can only be 0 or 1, and act to select the characters (or sites) that will be used in the resampling, the others being ignored and always omitted from the output data sets. Note: At present, if you use W together with the F (just weights) option, you write a file of weights, but with only weights for the sites that had input weights of 1, the others being omitted. Thus if you had 100 characters, and gave 60 of them weights of 1, when you produce the output weights these will only have 60 weights, not 100. Thus they could only be used together with a data file that had been edited to remove the sites that you gave 0 weights to. This is clumsy and we need to correct it.

The C (Categories) option can be used with molecular sequence programs to allow assignment of sites or amino acid positions to user-defined rate categories. The assignment of rates to sites is then made by reading a file whose default name is "categories". It should contain a string of digits 1 through 9. A new line or a blank can occur after any character in this string. Thus the categories file might look like this:

122231111122411155
1155333333444

The only use of the Categories information in SEQBOOT is that they are sampled along with the sites (or amino acid positions) and are written out onto a file whose default name is "outcategories", which has one set of categories information for each bootstrap or jackknife replicate.

The F option is a particularly important one. It is used whether to produce multiple output files or multiple weights. If your data set is large, a file with (say) 1000 such data sets can be very large and may use up too much space on your system. If you choose the F option, the program will instead produce a weights file with multiple sets of weights. The default name of this file is "outweights". Except for some programs that cannot handle multiple sets of weights, the programs have an M (multiple data sets) option that asks the user whether to use multiple data sets or multiple sets of weights. If the latter is selected when running those programs, they read one data set, but analyze it multiple times, each time reading a new set of weights. As both bootstrapping and jackknifing can be thought of as reweighting the characters, this accomplishes the same thing (the multiple weights option is not available for Archie/Faith permutation). As the file with multiple sets of weights is much smaller than a file with multiple data sets, this can be an attractive way to save file space. When multiple sets of weights is chosen, they reflect the sampling as well as any set of weights that was read in, so that you can use SEQBOOT's W option as well.

The 0 (Terminal type) option is the usual one.

Input File

The data files read by SEQBOOT are the standard ones for the various kinds of data. For molecular sequences the sequences may be either interleaved or sequential, and similarly for restriction sites. Restriction sites data may either have or not have the third argument, the number of restriction enzymes used. Discrete morphological characters are always assumed to be in sequential format. Gene frequencies data start with the number of species and the number of loci, and then follow that by a line with the number of alleles at each locus. The data for each locus may either have one entry for each allele, or omit one allele at each locus. The details of the formats are given in the main documentation file, and in the documentation files for the groups of programs.

The only option that can be present in the input file is F (Factors), the latter only in the case of binary (0,1) characters. The Factors option allows us to specify that groups of binary characters represent one multistate character. When sampling is done they will be sampled or omitted together, and when permutations of species are done they will all have the same permutation, as would happen if they really were just one column in the data matrix. For futher description of the F (Factors) option see the Discrete Characters Programs documentation file.

Output

The output file will contain the data sets generated by the resampling process. Note that, when Gene Frequencies data is used or when Discrete Morphological characters with the Factors option are used, the number of characters in each data set may vary. It may also vary if there are an odd number of characters or sites and the Delete-Half-Jackknife resampling method is used, for then there will be a 50% chance of choosing (n+1)/2 characters and a 50% chance of choosing (n-1)/2 characters.

The order of species in the data sets in the output file will vary randomly. This is a precaution to help the programs that analyze these data avoid any result which is sensitive to the input order of species from showing up repeatedly and thus appearing to have evidence in its favor.

The numerical options 1 and 2 in the menu also affect the output file. If 1 is chosen (it is off by default) the program will print the original input data set on the output file before the resampled data sets. I cannot actually see why anyone would want to do this. Option 2 toggles the feature (on by default) that prints out up to 20 times during the resampling process a notification that the program has completed a certain number of data sets. Thus if 100 resampled data sets are being produced, every 5 data sets a line is printed saying which data set has just been completed. This option should be turned off if the program is running in background and silence is desirable. At the end of execution the program will always (whatever the setting of option 2) print a couple of lines saying that output has been written to the output file.

Size and Speed

The program runs moderately quickly, though more slowly when the Permutation resampling method is used than with the others.

Future

I hope in the future to include code to pass on the Ancestors option from the input file (for use in programs MIX and DOLLOP) to the output file, a serious omission in the current version.


TEST DATA SET

    5    6
Alpha     AACAAC
Beta      AACCCC
Gamma     ACCAAC
Delta     CCACCA
Epsilon   CCAAAC


CONTENTS OF OUTPUT FILE

(If Replicates are set to 10 and seed to 4333)

    5     6
Alpha     ACAAAC
Beta      ACCCCC
Gamma     ACAAAC
Delta     CACCCA
Epsilon   CAAAAC
    5     6
Alpha     AAAACC
Beta      AACCCC
Gamma     CCAACC
Delta     CCCCAA
Epsilon   CCAACC
    5     6
Alpha     ACAAAC
Beta      ACCCCC
Gamma     CCAAAC
Delta     CACCCA
Epsilon   CAAAAC
    5     6
Alpha     ACCAAA
Beta      ACCCCC
Gamma     ACCAAA
Delta     CAACCC
Epsilon   CAAAAA
    5     6
Alpha     ACAAAC
Beta      ACCCCC
Gamma     ACAAAC
Delta     CACCCA
Epsilon   CAAAAC
    5     6
Alpha     AAAACA
Beta      AAAACC
Gamma     AAACCA
Delta     CCCCAC
Epsilon   CCCCAA
    5     6
Alpha     AAACCC
Beta      CCCCCC
Gamma     AAACCC
Delta     CCCAAA
Epsilon   AAACCC
    5     6
Alpha     AAAACC
Beta      AACCCC
Gamma     AAAACC
Delta     CCCCAA
Epsilon   CCAACC
    5     6
Alpha     AAAAAC
Beta      AACCCC
Gamma     CCAAAC
Delta     CCCCCA
Epsilon   CCAAAC
    5     6
Alpha     AACCAC
Beta      AACCCC
Gamma     AACCAC
Delta     CCAACA
Epsilon   CCAAAC

./arbsrc_9167/GDE/PHYLIP/doc/sequence.html0000644012664100000130000004005611213220011017772 0ustar arb_buildcoders sequence

version 3.6

Molecular Sequence Programs

(c) Copyright 1986-2000 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

These programs estimate phylogenies from protein sequence or nucleic acid sequence data. PROTPARS uses a parsimony method intermediate between Eck and Dayhoff's method (1966) of allowing transitions between all amino acids and counting those, and Fitch's (1971) method of counting the number of nucleotide changes that would be needed to evolve the protein sequence. DNAPARS uses the parsimony method allowing changes between all bases and counting the number of those. DNAMOVE is an interactive parsimony program allowing the user to rearrange trees by hand and see where characters states change. DNAPENNY uses the branch-and-bound method to search for all most parsimonious trees in the nucleic acid sequence case. DNACOMP adapts to nucleotide sequences the compatibility (largest clique) approach. DNAINVAR does not directly estimate a phylogeny, but computes Lake's (1987) and Cavender's (Cavender and Felsenstein, 1987) phylogenetic invariants, which are quantities whose values depend on the phylogeny. DNAML does a maximum likelihood estimate of the phylogeny (Felsenstein, 1981a). DNAMLK is similar to DNAML but assumes a molecular clock. DNADIST computes distance measures between pairs of species from nucleotide sequences, distances that can then be used by the distance matrix programs FITCH and KITSCH. RESTML does a maximum likelihood estimate from restriction sites data. SEQBOOT allows you to read in a data set and then produce multiple data sets from it by bootstrapping, delete-half jackknifing, or by permuting within sites. This then allows most of these methods to be bootstrapped or jackknifed, and for the Permutation Tail Probability Test of Archie (1989) and Faith and Cranston (1991) to be carried out.

The input and output format for RESTML is described in its document files. In general its input format is similar to those described here, except that the one-letter codes for restriction sites is specific to that program and is described in that document file. Since the input formats for the eight DNA sequence and two protein sequence programs apply to more than one program, they are described here. Their input formats are standard, making use of the IUPAC standards. .sp 2 .ce INTERLEAVED AND SEQUENTIAL FORMATS

The sequences can continue over multiple lines; when this is done the sequences must be either in "interleaved" format, similar to the output of alignment programs, or "sequential" format. These are described in the main document file. In sequential format all of one sequence is given, possibly on multiple lines, before the next starts. In interleaved format the first part of the file should contain the first part of each of the sequences, then possibly a line containing nothing but a carriage-return character, then the second part of each sequence, and so on. Only the first parts of the sequences should be preceded by names. Here is a hypothetical example of interleaved format:

  5    42
Turkey    AAGCTNGGGC ATTTCAGGGT
Salmo gairAAGCCTTGGC AGTGCAGGGT
H. SapiensACCGGTTGGC CGTTCAGGGT
Chimp     AAACCCTTGC CGTTACGCTT
Gorilla   AAACCCTTGC CGGTACGCTT

GAGCCCGGGC AATACAGGGT AT
GAGCCGTGGC CGGGCACGGT AT
ACAGGTTGGC CGTTCAGGGT AA
AAACCGAGGC CGGGACACTC AT
AAACCATTGC CGGTACGCTT AA

while in sequential format the same sequences would be:

  5    42
Turkey    AAGCTNGGGC ATTTCAGGGT
GAGCCCGGGC AATACAGGGT AT
Salmo gairAAGCCTTGGC AGTGCAGGGT
GAGCCGTGGC CGGGCACGGT AT
H. SapiensACCGGTTGGC CGTTCAGGGT
ACAGGTTGGC CGTTCAGGGT AA
Chimp     AAACCCTTGC CGTTACGCTT
AAACCGAGGC CGGGACACTC AT
Gorilla   AAACCCTTGC CGGTACGCTT
AAACCATTGC CGGTACGCTT AA

Note, of course, that a portion of a sequence like this:

300 AAGCGTGAAC GTTGTACTAA TRCAG

is perfectly legal, assuming that the species name has gone before, and is filled out to full length by blanks. The above digits and blanks will be ignored, the sequence being taken as starting at the first base symbol (in this case an A). This should enable you to use output from many multiple-sequence alignment programs with only minimal editing.

In interleaved format the present versions of the programs may sometimes have difficulties with the blank lines between groups of lines, and if so you might want to retype those lines, making sure that they have only a carriage-return and no blank characters on them, or you may perhaps have to eliminate them. The symptoms of this problem are that the programs complain that the sequences are not properly aligned, and you can find no other cause for this complaint.

INPUT FOR THE DNA SEQUENCE PROGRAMS

The input format for the DNA sequence programs is standard: the data have A's, G's, C's and T's (or U's). The first line of the input file contains the number of species and the number of sites. As with the other programs, options information may follow this. Following this, each species starts on a new line. The first 10 characters of that line are the species name. There then follows the base sequence of that species, each character being one of the letters A, B, C, D, G, H, K, M, N, O, R, S, T, U, V, W, X, Y, ?, or - (a period was also previously allowed but it is no longer allowed, because it sometimes is used in different senses in other programs). Blanks will be ignored, and so will numerical digits. This allows GENBANK and EMBL sequence entries to be read with minimum editing.

These characters can be either upper or lower case. The algorithms convert all input characters to upper case (which is how they are treated). The characters constitute the IUPAC (IUB) nucleic acid code plus some slight extensions. They enable input of nucleic acid sequences taking full account of any ambiguities in the sequence.

SymbolMeaning
AAdenine
GGuanine
CCytosine
TThymine
UUracil
YpYrimidine(C or T)
RpuRine(A or G)
W"Weak"(A or T)
S"Strong"(C or G)
K"Keto"(T or G)
M"aMino"(C or A)
Bnot A(C or G or T)
Dnot C(A or G or T)
Hnot G(A or C or T)
Vnot T(A or C or G)
X,N,?unknown(A or C or G or T)
Odeletion
-deletion

INPUT FOR THE PROTEIN SEQUENCE PROGRAMS

The input for the protein sequence programs is fairly standard. The first line contains the number of species and the number of amino acid positions (counting any stop codons that you want to include). These are followed on the same line by the options. The only options which need information in the input file are U (User Tree) and W (Weights). They are as described in the main documentation file. If the W (Weights) option is used there must be a W in the first line of the input file.

Next come the species data. Each sequence starts on a new line, has a ten-character species name that must be blank-filled to be of that length, followed immediately by the species data in the one-letter code. The sequences must either be in the "interleaved" or "sequential" formats. The I option selects between them. The sequences can have internal blanks in the sequence but there must be no extra blanks at the end of the terminated line. Note that a blank is not a valid symbol for a deletion.

The protein sequences are given by the one-letter code used by the late Margaret Dayhoff's group in the Atlas of Protein Sequences, and consistent with the IUB standard abbreviations. In the present version it is:

SymbolStands for
Aala
Basx
Ccys
Dasp
Eglu
Fphe
Ggly
Hhis
Iileu
J(not used)
Klys
Lleu
Mmet
Nasn
O(not used)
Ppro
Qgln
Rarg
Sser
Tthr
U(not used)
Vval
Wtrp
Xunknown amino acid
Ytyr
Zglx
*nonsense (stop)
?unknown amino acid or deletion
-deletion

where "nonsense", and "unknown" mean respectively a nonsense (chain termination) codon and an amino acid whose identity has not been determined. The state "asx" means "either asn or asp", and the state "glx" means "either gln or glu" and the state "deletion" means that alignment studies indicate a deletion has happened in the ancestry of this position, so that it is no longer present. Note that if two polypeptide chains are being used that are of different length owing to one terminating before the other, they can be coded as (say)

             HIINMA*????
             HIPNMGVWABT
since after the stop codon we do not definitely know that there has been a deletion, and do not know what amino acid would have been there. If DNA studies tell us that there is DNA sequence in that region, then we could use "X" rather than "?". Note that "X" means an unknown amino acid, but definitely an amino acid, while "?" could mean either that or a deletion. Otherwise one will usually want to use "?" after a stop codon, if one does not know what amino acid is there. If the DNA sequence has been observed there, one probably ought to resist putting in the amino acids that this DNA would code for, and one should use "X" instead, because under the assumptions implicit in this either the parsimony or the distance methods, changes to any noncoding sequence are much easier than changes in a coding region that change the amino acid

Here are the same one-letter codes tabulated the other way 'round:

Amino acidOne-letter code
alaA
argR
asnN
aspD
asxB
cysC
glnQ
gluE
glyG
glxZ
hisH
ileuI
leuL
lysK
metM
pheF
proP
serS
thrT
trpW
tyrY
valV
deletion-
nonsense (stop)*
unknown amino acidX
unknown (incl. deletion)?

THE OPTIONS

The programs allow options chosen from their menus. Many of these are as described in the main documentation file, particularly the options J, O, U, T, W, and Y. (Although T has a different meaning in the programs DNAML and DNADIST than in the others).

The U option indicates that user-defined trees are provided at the end of the input file. This happens in the usual way, except that for PROTPARS, DNAPARS, DNACOMP, and DNAMLK, the trees must be strictly bifurcating, containing only two-way splits, e. g.: ((A,B),(C,(D,E)));. For DNAML and RESTML it must have a trifurcation at its base, e. g.: ((A,B),C,(D,E));. The root of the tree may in those cases be placed arbitrarily, since the trees needed are actually unrooted, though they look different when printed out. The program RETREE should enable you to reroot the trees without having to hand-edit or retype them. For DNAMOVE the U option is not available (although there is an equivalent feature which uses rooted user trees).

A feature of the nucleotide sequence programs other than DNAMOVE is that they save time and computer memory space by recognizing sites at which the pattern of bases is the same, and doing their computation only once. Thus if we have only four species but a large number of sites, there are (ignoring ambiguous bases) only about 256 different patterns of nucleotides (4 x 4 x 4 x 4) that can occur. The programs automatically count how many occurrences there are of each and then only needs to do as much computation as would be needed with 256 sites, even though the number of sites is actually much larger. If there are ambiguities (such as Y or R nucleotides), these are also handled correctly, and do not cause trouble. The programs store the full sequences but reserve other space for bookkeeping only for the distinct patterns. This saves space. Thus the programs will run very effectively with few species and many sites. On larger numbers of species, if rates of evolution are small, many of the sites will be invariant (such as having all A's) and thus will mostly have one of four patterns. The programs will in this way automatically avoid doing duplicate computations for such sites. ./arbsrc_9167/GDE/PHYLIP/doc/treedist.html0000644012664100000130000002746611213220011020017 0ustar arb_buildcoders treedist

version 3.6

TREEDIST -- distances between trees

© Copyright 2002 by The University of Washington. Written by Joseph Felsenstein. Permission is granted to copy this document provided that no fee is charged for it and that this copyright notice is not removed.

This program computes distances between trees. The distance that is computed is the Symmetric Distance of Robinson and Foulds (1981). This does not use branch length information, only the tree topologies. It must also be borne in mind that the distance does not have any immediate statistical interpretation -- we cannot say whether a larger distance is significantly larger than a smaller one.

The Symmetric Distance is computed by considering each of the branches of the two trees. Each branch divides the set of species into two groups -- the ones connected to one end of the branch and the ones connected to the other. This makes a partition of the full set of species. (in Newick notation)

  ((A,C),(D,(B,E))) 
has two internal branches. One induces the partition {A, C  |  B, D, E} and the other induces the partition {A, C, D  |  B, E}. A different tree with the same set of species,
  (((A,D),C),(B,E))) 
has internal branches that correspond to the two partitions {A, C, D  |  B, E} and {A, D  |  B, C, E}. Note that the other branches, all of which are external branches, induce partitions that separate one species from all the others. Thus there are 5 partitions like this: {C  |  A, B, D, E} on each of these trees. These are always present on all trees, provided that each tree has each species at the end of its own branch.

The Symmetric Distance is simply a count of how many partitions there are, among the two trees, that are on one tree and not on the other. In the example above there are two partitions, {A, C  |  B, D, E} and {A, D  |  B, C, E}, each of which is present on only one of the two trees. The Symmetric Distance between the two trees is therefore 2. When the two trees are fully resolved bifurcating trees, their symmetric distance must be an even number; it can range from 0 to twice the number of internal branches, which for n species is 4n-6.

We have assumed that nothing is lost if the trees are treated as unrooted trees. It is easy to define a counterpart to the Symmetric Distance for rooted trees. each branch then defines a set of species, namely the clade defined by that branch. Thus if the first of the two trees above were considered as a rooted tree it would define the three clades {A, C}, {B, D, E}, and {B, E}. The symmetric distance between two rooted trees is simply the count of the number of clades that are defined by one but not by the other. For the second tree the clades would be {A, D}, {B, C, E}, and {B, E}. The Symmetric Distance between thee two rooted trees would then be 4.

Although the examples we have discussed have involved fully bifurcating trees, the input trees can have multifurcations. This can lead to distances that are odd numbers.

INPUT AND OPTIONS

The program reads one or two input tree files. If there is one input tree file, its default name is intree. If there are two their default names are intree and intree2. The tree files may either have the number of trees on their first line, or not. If the number of trees is given, it is actually ignored and all trees in the tree file are considered, even if there are more trees than indicated by the number. (This is a bug and it will be fixed in the future).

The options are selected from a menu, which looks like this:


Tree distance program, version 3.6a3

Settings for this run:
 O                         Outgroup root:  No, use as outgroup species  1
 R         Trees to be treated as Rooted:  No
 T    Terminal type (IBM PC, ANSI, none):  (none)
 1  Print indications of progress of run:  Yes
 2                 Tree distance submenu:  Distance between adjacent pairs

Are these settings correct? (type Y or the letter for one to change)

The O option allows you to root the trees using an outgroup. It is specified by giving its number, where the species are numbered in the order they appear in the first tree. Outgroup-rooting all the trees does not affect the unrooted Symmetric Distance, and if it is done and trees are treated as rooted, the distances turn out to be the same as the unrooted ones. Thus it is unlikely that you will find this option of interest.

The R option controls whether the Summetric Distance that is computed is to treat the trees as unrooted or rooted. Unrooted is the default.

The terminal type (0) and progress (1) options do not need description here.

Option 2 controls how many tree files are read in, which trees are to be compared, and how the output is to be presented. It causes another menu to appear:

Tree Pairing Submenu:
 A     Distances between adjacent pairs in tree file.
 P     Distances between all possible pairs in tree file.
 C     Distances between corresponding pairs in one tree file and another.
 L     Distances between all pairs in one tree file and another.

Option A computes the distances between successive pairs of trees in the tree input file -- between trees 1 and 2, trees 3 and 4, trees 5 and 6, and so on. If there are an odd number of trees in the input tree file the last tree will be ignored and a warning message printed to remind the user that nothing was done with it.

Option P computes distances between all pairs of trees in the input tree file. Thus with 10 trees 10 x 10 = 100 distances will be computed, including distances between each tree and itself.

Option C takes input from two tree files and cmputes distances between corresponding members of the two tree files. Thus distances will be computed between tree 1 of the first tree file and tree 1 of the second one, between tree 2 of the first file and tree 2 of the second one, and so on. If the number of trees in the two files differs, the extra trees in the file that has more of them are ignored and a warning is printed out.

Option L computes distances between all pairs of trees, where one tree is taken from one tree file and the other from the other tree file. Thus if the first tree file has 7 trees and the second has 5 trees, 7 x 5 = 35 different distances will be computed. Note -- this option seems not to work at the moment. We hope to fix this soon.

If option 2 is not selected, the program defaults to looking at one tree file and computing distances of adjacent pairs (so that option A is the default).

OUTPUT

The results of the analysis are written onto an output file whose default file name is outfile.

If any of the four types of analysis are selected, the program asks the user how they want the results presented. Here is that menu for options P or L:


Distances output options:
 F     Full matrix.
 V     One pair per line, verbose.
 S     One pair per line, sparse.

 Choose one: (F,V,S)

The Full matrix (choice F) is a table showing all distances. It is written onto the output file. The table is presented as groups of 10 columns. Here is the Full matrix for the 12 trees in the input tree file which is given as an example at the end of this page.


Tree distance program, version 3.6

Symmetric differences between all pairs of trees in tree file:

          1     2     3     4     5     6     7     8     9    10    
      \------------------------------------------------------------
    1 |   0     4     2    10    10    10    10    10    10    10  
    2 |   4     0     2    10     8    10     8    10     8    10  
    3 |   2     2     0    10    10    10    10    10    10    10  
    4 |  10    10    10     0     2     2     4     2     4     0  
    5 |  10     8    10     2     0     4     2     4     2     2  
    6 |  10    10    10     2     4     0     2     2     4     2  
    7 |  10     8    10     4     2     2     0     4     2     4  
    8 |  10    10    10     2     4     2     4     0     2     2  
    9 |  10     8    10     4     2     4     2     2     0     4  
   10 |  10    10    10     0     2     2     4     2     4     0  
   11 |   2     2     0    10    10    10    10    10    10    10  
   12 |  10    10    10     2     4     2     4     0     2     2  


         11    12    
      \------------
    1 |   2    10  
    2 |   2    10  
    3 |   0    10  
    4 |  10     2  
    5 |  10     4  
    6 |  10     2  
    7 |  10     4  
    8 |  10     0  
    9 |  10     2  
   10 |  10     2  
   11 |   0    10  
   12 |  10     0  


The Full matrix is only available for analyses P and L (not for A or C).

Option V (Verbose) writes one distance per line. The Verbose output is the default. Here it is for the example data set given below:


Tree distance program, version 3.6a3

Symmetric differences between adjacent pairs of trees:

Trees 1 and 2:    4
Trees 3 and 4:    10
Trees 5 and 6:    4
Trees 7 and 8:    4
Trees 9 and 10:    4
Trees 11 and 12:    10

Option S (Sparse or terse) is similar except that all that is given on each line are the numbers of the two trees and the distance, separated by blanks. This may be a convenient format if you want to write a program to read these numbers in, and you want to spare yourself the effort of having the program wade through the words on each line in the Verbose output. The first four lines of the Sparse output are titles that your program would want to skip past. Here is the Sparse output for the example trees.


Tree distance program, version 3.6

Symmetric differences between adjacent pairs of trees:

1 2 4
3 4 10
5 6 4
7 8 4
9 10 4
11 12 10

CREDITS AND FUTURE

TREEDIST was written by Dan Fineman. In the future we hope to expand it to consider a distance based on branch lengths as well as tree topologies. The Branch Score distance defined by Kuhner and Felsenstein (1994) is the one we have in mind (the Branch Score defined by them is actually the square of the distance). We also hope to compute a distance based on quartets shared and not shared by trees (implicit in the work of Estabrook, McMorris, and Meacham, 1985).


TEST DATA SET

(A,(B,(H,(D,(J,(((G,E),(F,I)),C))))));
(A,(B,(D,((J,H),(((G,E),(F,I)),C)))));
(A,(B,(D,(H,(J,(((G,E),(F,I)),C))))));
(A,(B,(E,(G,((F,I),((J,(H,D)),C))))));
(A,(B,(E,(G,((F,I),(((J,H),D),C))))));
(A,(B,(E,((F,I),(G,((J,(H,D)),C))))));
(A,(B,(E,((F,I),(G,(((J,H),D),C))))));
(A,(B,(E,((G,(F,I)),((J,(H,D)),C)))));
(A,(B,(E,((G,(F,I)),(((J,H),D),C)))));
(A,(B,(E,(G,((F,I),((J,(H,D)),C))))));
(A,(B,(D,(H,(J,(((G,E),(F,I)),C))))));
(A,(B,(E,((G,(F,I)),((J,(H,D)),C)))));

The output from default settings for this test set is given above (it is the Verbose output example). ./arbsrc_9167/GDE/PHYLIP/dollo.c0000644012664100000130000002503211213220011016001 0ustar arb_buildcoders#include "phylip.h" #include "disc.h" #include "dollo.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ void correct(node *p, long fullset, boolean dollo, bitptr zeroanc, pointptr treenode) { /* get final states for intermediate nodes */ long i; long z0, z1, s0, s1, temp; if (p->tip) return; for (i = 0; i < (words); i++) { if (p->back == NULL) { s0 = zeroanc[i]; s1 = fullset & (~zeroanc[i]); } else { s0 = treenode[p->back->index - 1]->statezero[i]; s1 = treenode[p->back->index - 1]->stateone[i]; } z0 = (s0 & p->statezero[i]) | (p->next->back->statezero[i] & p->next->next->back->statezero[i]); z1 = (s1 & p->stateone[i]) | (p->next->back->stateone[i] & p->next->next->back->stateone[i]); if (dollo) { temp = z0 & (~(zeroanc[i] & z1)); z1 &= ~(fullset & (~zeroanc[i]) & z0); z0 = temp; } temp = fullset & (~z0) & (~z1); p->statezero[i] = z0 | (temp & s0 & (~s1)); p->stateone[i] = z1 | (temp & s1 & (~s0)); } } /* correct */ void fillin(node *p) { /* Sets up for each node in the tree two statesets. stateone and statezero are the sets of character states that must be 1 or must be 0, respectively, in a most parsimonious reconstruction, based on the information at or above this node. Note that this state assignment may change based on information further down the tree. If a character is in both sets it is in state "P". If in neither, it is "?". */ long i; for (i = 0; i < words; i++) { p->stateone[i] = p->next->back->stateone[i] | p->next->next->back->stateone[i]; p->statezero[i] = p->next->back->statezero[i] | p->next->next->back->statezero[i]; } } /* fillin */ void postorder(node *p) { /* traverses a binary tree, calling PROCEDURE fillin at a node's descendants before calling fillin at the node */ /* used in dollop, dolmove, & move */ if (p->tip) return; postorder(p->next->back); postorder(p->next->next->back); fillin(p); } /* postorder */ void count(long *stps, bitptr zeroanc, steptr numszero, steptr numsone) { /* counts the number of steps in a branch of the tree. The program spends much of its time in this PROCEDURE */ /* used in dolpenny & move */ long i, j, l; j = 1; l = 0; for (i = 0; i < (chars); i++) { l++; if (l > bits) { l = 1; j++; } if (((1L << l) & stps[j - 1]) != 0) { if (((1L << l) & zeroanc[j - 1]) != 0) numszero[i] += weight[i]; else numsone[i] += weight[i]; } } } /* count */ void filltrav(node *r) { /* traverse to fill in interior node states */ if (r->tip) return; filltrav(r->next->back); filltrav(r->next->next->back); fillin(r); } /* filltrav */ void hyprint(struct htrav_vars *Hyptrav, boolean *unknown, bitptr dohyp, Char *guess) { /* print out states at node */ long i, j, k; char l; boolean dot, a0, a1, s0, s1; if (Hyptrav->bottom) fprintf(outfile, "root "); else fprintf(outfile, "%3ld ", Hyptrav->r->back->index - spp); if (Hyptrav->r->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[Hyptrav->r->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", Hyptrav->r->index - spp); if (Hyptrav->nonzero) fprintf(outfile, " yes "); else if (*unknown) fprintf(outfile, " ? "); else fprintf(outfile, " no "); for (j = 1; j <= (chars); j++) { newline(outfile, j, 40, nmlngth + 17); k = (j - 1) / bits + 1; l = (j - 1) % bits + 1; dot = (((1L << l) & dohyp[k - 1]) == 0 && guess[j - 1] == '?'); s0 = (((1L << l) & Hyptrav->r->statezero[k - 1]) != 0); s1 = (((1L << l) & Hyptrav->r->stateone[k - 1]) != 0); a0 = (((1L << l) & Hyptrav->zerobelow->bits_[k - 1]) != 0); a1 = (((1L << l) & Hyptrav->onebelow->bits_[k - 1]) != 0); dot = (dot || (a1 == s1 && a0 == s0)); if (dot) putc('.', outfile); else { if (s0) { if (s1) putc('P', outfile); else putc('0', outfile); } else if (s1) putc('1', outfile); else putc('?', outfile); } if (j % 5 == 0) putc(' ', outfile); } putc('\n', outfile); } /* hyprint */ void hyptrav(node *r_, boolean *unknown, bitptr dohyp, long fullset, boolean dollo, Char *guess, pointptr treenode, gbit *garbage, bitptr zeroanc, bitptr oneanc) { /* compute, print out states at one interior node */ struct htrav_vars HypVars; long i; HypVars.r = r_; disc_gnu(&HypVars.zerobelow, &garbage); disc_gnu(&HypVars.onebelow, &garbage); if (!HypVars.r->tip) correct(HypVars.r, fullset, dollo, zeroanc, treenode); HypVars.bottom = (HypVars.r->back == NULL); HypVars.nonzero = false; if (HypVars.bottom) { memcpy(HypVars.zerobelow->bits_, zeroanc, words*sizeof(long)); memcpy(HypVars.onebelow->bits_, oneanc, words*sizeof(long)); } else { memcpy(HypVars.zerobelow->bits_, treenode[HypVars.r->back->index - 1]->statezero, words*sizeof(long)); memcpy(HypVars.onebelow->bits_, treenode[HypVars.r->back->index - 1]->stateone, words*sizeof(long)); } for (i = 0; i < (words); i++) HypVars.nonzero = (HypVars.nonzero || ((HypVars.r->stateone[i] & HypVars.zerobelow->bits_[i]) | (HypVars.r->statezero[i] & HypVars.onebelow->bits_[i])) != 0); hyprint(&HypVars,unknown,dohyp, guess); if (!HypVars.r->tip) { hyptrav(HypVars.r->next->back, unknown,dohyp, fullset, dollo, guess, treenode, garbage, zeroanc, oneanc); hyptrav(HypVars.r->next->next->back, unknown,dohyp, fullset, dollo, guess, treenode, garbage, zeroanc, oneanc); } disc_chuck(HypVars.zerobelow, &garbage); disc_chuck(HypVars.onebelow, &garbage); } /* hyptrav */ void hypstates(long fullset, boolean dollo, Char *guess, pointptr treenode, node *root, gbit *garbage, bitptr zeroanc, bitptr oneanc) { /* fill in and describe states at interior nodes */ /* used in dollop & dolpenny */ boolean unknown = false; bitptr dohyp; long i, j, k; for (i = 0; i < (words); i++) { zeroanc[i] = 0; oneanc[i] = 0; } for (i = 0; i < (chars); i++) { j = i / bits + 1; k = i % bits + 1; if (guess[i] == '0') zeroanc[j - 1] = ((long)zeroanc[j - 1]) | (1L << k); if (guess[i] == '1') oneanc[j - 1] = ((long)oneanc[j - 1]) | (1L << k); unknown = (unknown || guess[i] == '?'); } dohyp = (bitptr)Malloc(words*sizeof(long)); for (i = 0; i < words; i++) dohyp[i] = zeroanc[i] | oneanc[i]; filltrav(root); fprintf(outfile, "From To Any Steps?"); fprintf(outfile, " State at upper node\n"); fprintf(outfile, " "); fprintf(outfile, " ( . means same as in the node below it on tree)\n\n"); hyptrav(root, &unknown,dohyp, fullset, dollo, guess, treenode, garbage, zeroanc, oneanc); free(dohyp); } /* hypstates */ void drawline(long i, double scale, node *root) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j; boolean extra, done; p = root; q = root; extra = false; if (i == (long)p->ycoord && p == root) { if (p->index - spp >= 10) fprintf(outfile, "-%2ld", p->index - spp); else fprintf(outfile, "--%ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)(scale * (p->xcoord - q->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { putc('+', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (p != q) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* drawline */ void printree(double f, boolean treeprint, node *root) { /* prints out diagram of the tree */ /* used in dollop & dolpenny */ long i, tipy, dummy; double scale; putc('\n', outfile); if (!treeprint) return; putc('\n', outfile); tipy = 1; dummy = 0; coordinates(root, &tipy, f, &dummy); scale = 1.5; putc('\n', outfile); for (i = 1; i <= (tipy - down); i++) drawline(i, scale, root); putc('\n', outfile); } /* printree */ void writesteps(boolean weights, boolean dollo, steptr numsteps) { /* write number of steps */ /* used in dollop & dolpenny */ long i, j, k; if (weights) fprintf(outfile, "weighted"); if (dollo) fprintf(outfile, " reversions "); else fprintf(outfile, " polymorphisms "); fprintf(outfile, "in each character:\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%4ld", i); fprintf(outfile, "\n *-----------------------------------------\n"); for (i = 0; i <= (chars / 10); i++) { fprintf(outfile, "%5ld", i * 10); putc('!', outfile); for (j = 0; j <= 9; j++) { k = i * 10 + j; if (k == 0 || k > chars) fprintf(outfile, " "); else fprintf(outfile, "%4ld", numsteps[k - 1] + extras[k - 1]); } putc('\n', outfile); } putc('\n', outfile); } /* writesteps */ ./arbsrc_9167/GDE/PHYLIP/dollo.h0000644012664100000130000000177211213220011016013 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* dollo.h: included in dollop, dolmove & dolpenny */ #ifndef OLDC /* function prototypes */ void correct(node *, long, boolean, bitptr, pointptr); void fillin(node *); void postorder(node *); void count(long *, bitptr, steptr, steptr); void filltrav(node *); void hyprint(struct htrav_vars *, boolean *, bitptr, Char *); void hyptrav(node *, boolean *, bitptr, long, boolean, Char *, pointptr, gbit *, bitptr, bitptr); void hypstates(long, boolean, Char *, pointptr, node *, gbit *, bitptr, bitptr); void drawline(long, double, node *); void printree(double, boolean, node *); void writesteps(boolean, boolean, steptr); /* function prototypes */ #endif ./arbsrc_9167/GDE/PHYLIP/dollop.c0000644012664100000130000006411011213220011016161 0ustar arb_buildcoders #include "phylip.h" #include "disc.h" #include "dollo.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of tied trees stored */ #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void doinput(void); void dollop_count(node *, steptr, steptr); void preorder(node *, steptr, steptr, long, boolean, long, bitptr, pointptr); void evaluate(node *); void savetree(void); void dollop_addtree(long *); void tryadd(node *, node **, node **); void addpreorder(node *, node *, node *); void tryrearr(node *, node **, boolean *); void repreorder(node *, node **, boolean *); void rearrange(node **); void describe(void); void initdollopnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH], ancfilename[FNMLNGTH]; node *root; long col, msets, ith, j, l, njumble, jumb; long inseed, inseed0; boolean jumble, usertree, weights, thresh, ancvar, questions, dollo, trout, progress, treeprint, stepbox, ancseq, mulsets, firstset, justwts; boolean *ancone, *anczero, *ancone0, *anczero0; pointptr treenode; /* pointers to all nodes in tree */ double threshold; double *threshwt; longer seed; long *enterorder; double **fsteps; steptr numsteps; bestelm *bestrees; Char *guess; gbit *garbage; char *progname; /* Variables for treeread */ boolean goteof, firsttree, haslengths, phirst; pointarray nodep; node *grbg; long *zeros; /* Local variables for maketree, propagated globally for C version: */ long minwhich; double like, bestyet, bestlike, bstlike2, minsteps; boolean lastrearr; double nsteps[maxuser]; node *there; long fullset; bitptr zeroanc, oneanc; long *place; Char ch; boolean *names; steptr numsone, numszero; bitptr steps; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile,"\nDollo and polymorphism parsimony algorithm,"); fprintf(outfile," version %s\n\n",VERSION); putchar('\n'); ancvar = false; dollo = true; jumble = false; njumble = 1; thresh = false; threshold = spp; trout = true; usertree = false; goteof = false; weights = false; justwts = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; loopcount = 0; for (;;) { cleerhome(); printf("\nDollo and polymorphism parsimony algorithm, version %s\n\n", VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); printf(" P Parsimony method? %s\n", dollo ? "Dollo" : "Polymorphism"); if (!usertree) { printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per char.\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" A Use ancestral states in input file? %s\n", ancvar ? "Yes" : "No"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", printdata ? "Yes" : "No"); printf(" 2 Print indications of progress of run %s\n", progress ? "Yes" : "No"); printf(" 3 Print out tree %s\n", treeprint ? "Yes" : "No"); printf(" 4 Print out steps in each character %s\n", stepbox ? "Yes" : "No"); printf(" 5 Print states at all nodes of tree %s\n", ancseq ? "Yes" : "No"); printf(" 6 Write out trees onto tree file? %s\n", trout ? "Yes" : "No"); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\nAre these settings correct? "); printf("(type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if (strchr("WAPJTUM1234560",ch) != NULL){ switch (ch) { case 'A': ancvar = !ancvar; break; case 'P': dollo = !dollo; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'W': weights = !weights; break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void allocrest() { long i; extras = (steptr)Malloc(chars*sizeof(long)); weight = (steptr)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); if (usertree) { fsteps = (double **)Malloc(maxuser*sizeof(double *)); for (i = 1; i <= maxuser; i++) fsteps[i - 1] = (double *)Malloc(chars*sizeof(double)); } bestrees = (bestelm *) Malloc(maxtrees*sizeof(bestelm)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1].btree = (long *)Malloc(nonodes*sizeof(long)); numsteps = (steptr)Malloc(chars*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); place = (long *)Malloc(nonodes*sizeof(long)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); numsone = (steptr)Malloc(chars*sizeof(long)); numszero = (steptr)Malloc(chars*sizeof(long)); guess = (Char *)Malloc(chars*sizeof(Char)); zeroanc = (bitptr)Malloc(words*sizeof(long)); oneanc = (bitptr)Malloc(words*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); words = chars / bits + 1; getoptions(); // if (printdata) // fprintf(outfile, "%2ld species, %3ld characters\n\n", spp, chars); alloctree(&treenode); setuptree(treenode); allocrest(); } /* doinit */ void inputoptions() { /* input the information on the options */ long i; if(justwts){ if(firstset){ scan_eoln(infile); if (ancvar) { inputancestorsnew(anczero0, ancone0); } } for (i = 0; i < (chars); i++) weight[i] = 1; inputweights(chars, weight, &weights); } else { if (!firstset) samenumsp(&chars, ith); scan_eoln(infile); for (i = 0; i < (chars); i++) weight[i] = 1; if (ancvar) inputancestorsnew(anczero0, ancone0); if (weights) inputweights(chars, weight, &weights); } if ((weights || justwts) && printdata) printweights(outfile, 0, chars, weight, "Characters"); for (i = 0; i < (chars); i++) { if (!ancvar) { anczero[i] = true; ancone[i] = false; } else { anczero[i] = anczero0[i]; ancone[i] = ancone0[i]; } } if (ancvar && printdata) printancestors(outfile, anczero, ancone); questions = false; for (i = 0; i < (chars); i++) { questions = (questions || (ancone[i] && anczero[i])); threshwt[i] = threshold * weight[i]; } } /* inputoptions */ void doinput() { /* reads the input data */ inputoptions(); if(!justwts || firstset) inputdata(treenode, dollo, printdata, outfile); } /* doinput */ void dollop_count(node *p, steptr numsone, steptr numszero) { /* counts the number of steps in a fork of the tree. The program spends much of its time in this PROCEDURE */ long i, j, l; if (dollo) { for (i = 0; i < (words); i++) steps[i] = (treenode[p->back->index - 1]->stateone[i] & p->statezero[i] & zeroanc[i]) | (treenode[p->back->index - 1]->statezero[i] & p->stateone[i] & fullset & (~zeroanc[i])); } else { for (i = 0; i < (words); i++) steps[i] = treenode[p->back->index - 1]->stateone[i] & treenode[p->back->index - 1]->statezero[i] & p->stateone[i] & p->statezero[i]; } j = 1; l = 0; for (i = 0; i < (chars); i++) { l++; if (l > bits) { l = 1; j++; } if (((1L << l) & steps[j - 1]) != 0) { if (((1L << l) & zeroanc[j - 1]) != 0) numszero[i] += weight[i]; else numsone[i] += weight[i]; } } } /* dollop_count */ void preorder(node *p, steptr numsone, steptr numszero, long words, boolean dollo, long fullset, bitptr zeroanc, pointptr treenode) { /* go back up tree setting up and counting interior node states */ if (!p->tip) { correct(p, fullset, dollo, zeroanc, treenode); preorder(p->next->back, numsone,numszero, words, dollo, fullset, zeroanc, treenode); preorder(p->next->next->back, numsone,numszero, words, dollo, fullset, zeroanc, treenode); } if (p->back != NULL) dollop_count(p, numsone,numszero); } /* preorder */ void evaluate(node *r) { /* Determines the number of losses or polymorphisms needed for a tree. This is the minimum number needed to evolve chars on this tree */ long i, stepnum, smaller; double sum, term; sum = 0.0; for (i = 0; i < (chars); i++) { numszero[i] = 0; numsone[i] = 0; } for (i = 0; i < (words); i++) zeroanc[i] = fullset; postorder(r); preorder(r, numsone, numszero, words, dollo, fullset, zeroanc, treenode); for (i = 0; i < (words); i++) zeroanc[i] = 0; postorder(r); preorder(r, numsone, numszero, words, dollo, fullset, zeroanc, treenode); for (i = 0; i < (chars); i++) { smaller = spp * weight[i]; numsteps[i] = smaller; if (anczero[i]) { numsteps[i] = numszero[i]; smaller = numszero[i]; } if (ancone[i] && numsone[i] < smaller) numsteps[i] = numsone[i]; stepnum = numsteps[i] + extras[i]; if (stepnum <= threshwt[i]) term = stepnum; else term = threshwt[i]; sum += term; if (usertree && which <= maxuser) fsteps[which - 1][i] = term; guess[i] = '?'; if (!ancone[i] || (anczero[i] && numszero[i] < numsone[i])) guess[i] = '0'; else if (!anczero[i] || (ancone[i] && numsone[i] < numszero[i])) guess[i] = '1'; } if (usertree && which <= maxuser) { nsteps[which - 1] = sum; if (which == 1) { minwhich = 1; minsteps = sum; } else if (sum < minsteps) { minwhich = which; minsteps = sum; } } like = -sum; } /* evaluate */ void savetree() { /* record in place where each species has to be added to reconstruct this tree */ long i, j; node *p; boolean done; for (i = 0; i < (nonodes); i++) place[i] = 0; place[root->index - 1] = 1; for (i = 1; i <= (spp); i++) { p = treenode[i - 1]; while (place[p->index - 1] == 0) { place[p->index - 1] = i; p = p->back; if (p != NULL) p = treenode[p->index - 1]; } if (i > 1) { place[i - 1] = place[p->index - 1]; j = place[p->index - 1]; done = false; while (!done) { place[p->index - 1] = spp + i - 1; p = treenode[p->index - 1]; p = p->back; done = (p == NULL); if (!done) done = (place[p->index - 1] != j); } } } } /* savetree */ void dollop_addtree(long *pos) { /*puts tree from ARRAY place in its proper position in ARRAY bestrees */ long i; for (i =nextree - 1; i >= (*pos); i--) { memcpy(bestrees[i].btree, bestrees[i - 1].btree, spp*sizeof(long)); bestrees[i].gloreange = bestrees[i - 1].gloreange; bestrees[i].locreange = bestrees[i - 1].locreange; bestrees[i].collapse = bestrees[i - 1].collapse; } for (i = 0; i < (spp); i++) bestrees[(*pos) - 1].btree[i] = place[i]; nextree++; } /* dollop_addtree */ void tryadd(node *p, node **item, node **nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ long pos; boolean found; add(p, *item, *nufork, &root, treenode); evaluate(root); if (lastrearr) { if (like >= bstlike2) { savetree(); if (like > bstlike2) { bestlike = bstlike2 = like; pos = 1; nextree = 1; dollop_addtree(&pos); } else { pos = 0; findtree(&found, &pos, nextree, place, bestrees); /* findtree calls for a bestelm* but is getting */ /* a long**, LM */ if (!found) { if (nextree <= maxtrees) dollop_addtree(&pos); } } } } if (like > bestyet) { bestyet = like; there = p; } re_move(item, nufork, &root, treenode); } /* tryadd */ void addpreorder(node *p, node *item_, node *nufork_) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ node *item= item_; node *nufork = nufork_; if (p == NULL) return; tryadd(p, &item,&nufork); if (!p->tip) { addpreorder(p->next->back, item, nufork); addpreorder(p->next->next->back, item, nufork); } } /* addpreorder */ void tryrearr(node *p, node **r, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success := TRUE and keeps the new tree. otherwise, restores the old tree */ node *frombelow, *whereto, *forknode; double oldlike; if (p->back == NULL) return; forknode = treenode[p->back->index - 1]; if (forknode->back == NULL) return; oldlike = bestyet; if (p->back->next->next == forknode) frombelow = forknode->next->next->back; else frombelow = forknode->next->back; whereto = forknode->back; re_move(&p, &forknode, &root, treenode); add(whereto, p, forknode, &root, treenode); evaluate(*r); if (like <= oldlike) { re_move(&p, &forknode, &root, treenode); add(frombelow, p, forknode, &root, treenode); } else { (*success) = true; bestyet = like; } } /* tryrearr */ void repreorder(node *p, node **r, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p, r,success); if (!p->tip) { repreorder(p->next->back, r,success); repreorder(p->next->next->back, r,success); } } /* repreorder */ void rearrange(node **r_) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ node **r = r_; boolean success = true; while (success) { success = false; repreorder(*r, r,&success); } } /* rearrange */ void describe() { /* prints ancestors, steps and table of numbers of steps in each character */ if (treeprint) fprintf(outfile, "\nrequires a total of %10.3f\n", -like); if (stepbox) { putc('\n', outfile); writesteps(weights, dollo, numsteps); } if (questions) guesstates(guess); if (ancseq) { hypstates(fullset, dollo, guess, treenode, root, garbage, zeroanc, oneanc); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout(root, nextree, &col, root); } } /* describe */ void initdollopnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ /* LM 7/27 I added this function and the commented lines around */ /* treeread() to get the program running, but all 4 move programs*/ /* are improperly integrated into the v4.0 support files. As is */ /* this is a patchwork function */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnutreenode(grbg, p, nodei, chars, zeros); treenode[nodei - 1] = *p; break; case nonbottom: gnutreenode(grbg, p, nodei, chars, zeros); break; case tip: match_names_to_data (str, treenode, p, spp); break; case length: /* if there is a length, read it and discard value */ processlength(&valyew, &divisor, ch, &minusread, intree, parens); break; default: /*cases hslength,hsnolength,treewt,unittrwt,iter,*/ break; } } /* initdollopnode */ void maketree() { /* constructs a binary tree from the pointers in treenode. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, numtrees, nextnode; double gotlike; node *item, *nufork, *dummy, *p; steps = (bitptr)Malloc(words*sizeof(long)); fullset = (1L << (bits + 1)) - (1L << 1); if (!usertree) { for (i = 1; i <= (spp); i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); root = treenode[enterorder[0] - 1]; add(treenode[enterorder[0] - 1], treenode[enterorder[1] - 1], treenode[spp], &root, treenode); if (progress) { printf("Adding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = false; for (i = 3; i <= (spp); i++) { bestyet = -350.0 * spp * chars; item = treenode[enterorder[i - 1] - 1]; nufork = treenode[spp + i - 2]; addpreorder(root, item, nufork); add(there, item, nufork, &root, treenode); like = bestyet; rearrange(&root); if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = (i == spp); if (lastrearr) { if (progress) { printf("\nDoing global rearrangements\n"); printf(" !"); for (j = 1; j <= (nonodes); j++) putchar('-'); printf("!\n"); #ifdef WIN32 phyFillScreenColor(); #endif } bestlike = bestyet; if (jumb == 1) { bstlike2 = bestlike; nextree = 1; } do { if (progress) printf(" "); gotlike = bestlike; for (j = 0; j < (nonodes); j++) { bestyet = - 350.0 * spp * chars; item = treenode[j]; if (item != root) { nufork = treenode[j]->back; re_move(&item, &nufork, &root, treenode); there = root; addpreorder(root, item, nufork); add(there, item, nufork, &root, treenode); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) { putchar('\n'); #ifdef WIN32 phyFillScreenColor(); #endif } } while (bestlike > gotlike); } } if (progress) putchar('\n'); for (i = spp - 1; i >= 1; i--) re_move(&treenode[i], &dummy, &root, treenode); if (jumb == njumble) { if (treeprint) { putc('\n', outfile); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i <= (nextree - 2); i++) { root = treenode[0]; add(treenode[0], treenode[1], treenode[spp], &root, treenode); for (j = 3; j <= spp; j++) { add(treenode[bestrees[i].btree[j - 1] - 1], treenode[j - 1], treenode[spp + j - 2], &root, treenode);} evaluate(root); printree(1.0, treeprint, root); describe(); for (j = 1; j < (spp); j++) re_move(&treenode[j], &dummy, &root, treenode); } } } else { openfile(&intree,INTREE,"input tree file", "r",progname,intreename); fscanf(intree, "%ld%*[^\n]", &numtrees); getc(intree); if (numtrees > 2) { initseed(&inseed, &inseed0, seed); printf("\n"); } if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n"); } names = (boolean *)Malloc(spp*sizeof(boolean)); which = 1; firsttree = true; /**/ nodep = NULL; /**/ nextnode = 0; /**/ haslengths = 0; /**/ phirst = 0; /**/ zeros = (long *)Malloc(chars*sizeof(long)); /**/ for (i = 0; i < chars; i++) /**/ zeros[i] = 0; /**/ while (which <= numtrees) { treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdollopnode); /*debug*/ for (i = spp; i < (nonodes); i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->stateone = (bitptr)Malloc(words*sizeof(long)); p->statezero = (bitptr)Malloc(words*sizeof(long)); p = p->next; } } /* debug: see comment at initdollopnode() */ if (treeprint) fprintf(outfile, "\n\n"); evaluate(root); printree(1.0, treeprint, root); describe(); which++; } FClose(intree); fprintf(outfile, "\n\n"); if (numtrees > 1 && chars > 1) standev(numtrees, minwhich, minsteps, nsteps, fsteps, seed); free(names); } if (jumb == njumble) { if (progress) { printf("Output written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n\n", outtreename); } free(steps); if (ancseq) freegarbage(&garbage); } } /* maketree */ int main(int argc, Char *argv[]) { /* Dollo or polymorphism parsimony by uphill search */ #ifdef MAC argc = 1; /* macsetup("Dollop",""); */ argv[0] = "Dollop"; #endif init(argc, argv); /* reads in spp, chars, and the data. Then calls maketree to construct the tree */ progname = argv[0]; openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; garbage = NULL; mulsets = false; msets = 1; firstset = true; bits = 8*sizeof(long) - 1; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); if(ancvar) openfile(&ancfile,ANCFILE,"ancestors file", "r",argv[0],ancfilename); if (dollo) fprintf(outfile, "Dollo"); else fprintf(outfile, "Polymorphism"); fprintf(outfile, " parsimony method\n\n"); if (printdata && justwts) fprintf(outfile, "%2ld species, %3ld characters\n\n", spp, chars); for (ith = 1; ith <= (msets); ith++) { if (msets > 1 && !justwts) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } if (justwts){ fprintf(outfile, "Weights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata && !justwts) fprintf(outfile, "%2ld species, %3ld characters\n\n", spp, chars); doinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Dollo or polymorphism parsimony by uphill search */ ./arbsrc_9167/GDE/PHYLIP/dolmove.c0000644012664100000130000011423211213220011016336 0ustar arb_buildcoders#include "phylip.h" #include "moves.h" #include "disc.h" #include "dollo.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define overr 4 #define which 1 typedef enum { horiz, vert, up, overt, upcorner, downcorner, onne, zerro, question, polym } chartype; typedef enum { rearr, flipp, reroott, none } rearrtype; typedef enum { arb, use, spec } howtree; #ifndef OLDC /* function prototypes */ void getoptions(void); void inputoptions(void); void allocrest(void); void doinput(void); void configure(void); void prefix(chartype); void postfix(chartype); void makechar(chartype); void dolmove_correct(node *); void dolmove_count(node *); void preorder(node *); void evaluate(node *); void reroot(node *); void dolmove_hyptrav(node *); void dolmove_hypstates(void); void grwrite(chartype, long, long *); void dolmove_drawline(long); void dolmove_printree(void); void arbitree(void); void yourtree(void); void initdolmovenode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void buildtree(void); void rearrange(void); void tryadd(node *, node **, node **, double *); void addpreorder(node *, node *, node *, double *); void try(void); void undo(void); void treewrite(boolean); void clade(void); void flip(void); void changeoutgroup(void); void redisplay(void); void treeconstruct(void); /* function prototypes */ #endif Char infilename[FNMLNGTH],intreename[FNMLNGTH],outtreename[FNMLNGTH], ancfilename[FNMLNGTH], factfilename[FNMLNGTH], weightfilename[FNMLNGTH]; node *root; long outgrno, col, screenlines, screenwidth, scrollinc,treelines, leftedge,topedge,vmargin,hscroll,vscroll,farthest; /* outgrno indicates outgroup */ boolean weights, thresh, ancvar, questions, dollo, factors, waswritten; boolean *ancone, *anczero, *ancone0, *anczero0; Char *factor; pointptr treenode; /* pointers to all nodes in tree */ double threshold; double *threshwt; unsigned char cha[10]; boolean reversed[10]; boolean graphic[10]; howtree how; char *progname; char ch; /* Variables for treeread */ boolean usertree, goteof, firsttree, haslengths; pointarray nodep; node *grbg; long *zeros; /* Local variables for treeconstruct, propagated globally for c version: */ long dispchar, dispword, dispbit, atwhat, what, fromwhere, towhere, oldoutgrno, compatible; double like, bestyet, gotlike; Char *guess; boolean display, newtree, changed, subtree, written, oldwritten, restoring, wasleft, oldleft, earlytree; boolean *in_tree; steptr numsteps; long fullset; bitptr zeroanc, oneanc; node *nuroot; rearrtype lastop; steptr numsone, numszero; boolean *names; void getoptions() { /* interactively set options */ long loopcount; Char ch; boolean done, gotopt; char input[100]; how = arb; usertree = false; goteof = false; thresh = false; threshold = spp; weights = false; ancvar = false; factors = false; dollo = true; loopcount = 0; do { cleerhome(); printf("\nInteractive Dollo or polymorphism parsimony,"); printf(" version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" P Parsimony method?"); printf(" %s\n",(dollo ? "Dollo" : "Polymorphism")); printf(" A Use ancestral states? %s\n", ancvar ? "Yes" : "No"); printf(" F Use factors information? %s\n", factors ? "Yes" : "No"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" A Use ancestral states in input file?"); printf(" %s\n",(ancvar ? "Yes" : "No")); printf(" U Initial tree (arbitrary, user, specify)?"); printf(" %s\n",(how == arb) ? "Arbitrary" : (how == use) ? "User tree from tree file" : "Tree you specify"); printf(" 0 Graphics type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" L Number of lines on screen?%4ld\n",screenlines); printf(" S Width of terminal screen?%4ld\n",screenwidth); printf( "\n\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); ch = input[0]; uppercase(&ch); done = (ch == 'Y'); gotopt = (strchr("SFTPULA0W",ch) != NULL) ? true : false; if (gotopt) { switch (ch) { case 'A': ancvar = !ancvar; break; case 'F': factors = !factors; break; case 'W': weights = !weights; break; case 'P': dollo = !dollo; break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'U': if (how == arb) how = use; else if (how == use) how = spec; else how = arb; break; case '0': initterminal(&ibmpc, &ansi); break; case 'L': initnumlines(&screenlines); break; case 'S': screenwidth = readlong("Width of terminal screen (in characters)?\n"); } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } while (!done); if (scrollinc < screenwidth / 2.0) hscroll = scrollinc; else hscroll = screenwidth / 2; if (scrollinc < screenlines / 2.0) vscroll = scrollinc; else vscroll = screenlines / 2; } /* getoptions */ void inputoptions() { /* input the information on the options */ long i; scan_eoln(infile); for (i = 0; i < (chars); i++) weight[i] = 1; if (ancvar) inputancestorsnew(anczero0, ancone0); if (factors) inputfactorsnew(chars, factor, &factors); if (weights) inputweights(chars, weight, &weights); putchar('\n'); if (weights) printweights(stdout, 0, chars, weight, "Characters"); if (factors) printfactors(stdout, chars, factor, ""); for (i = 0; i < (chars); i++) { if (!ancvar) { anczero[i] = true; ancone[i] = false; } else { anczero[i] = anczero0[i]; ancone[i] = ancone0[i]; } } if (ancvar) printancestors(stdout, anczero, ancone); if (!thresh) threshold = spp; questions = false; for (i = 0; i < (chars); i++) { questions = (questions || (ancone[i] && anczero[i])); threshwt[i] = threshold * weight[i]; } } /* inputoptions */ void allocrest() { nayme = (naym *)Malloc(spp*sizeof(naym)); in_tree = (boolean *)Malloc(nonodes*sizeof(boolean)); extras = (steptr)Malloc(chars*sizeof(long)); weight = (steptr)Malloc(chars*sizeof(long)); numszero = (steptr)Malloc(chars*sizeof(long)); numsone = (steptr)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); factor = (Char *)Malloc(chars*sizeof(Char)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); zeroanc = (bitptr)Malloc(words*sizeof(long)); oneanc = (bitptr)Malloc(words*sizeof(long)); } /* allocrest */ void doinput() { /* reads the input data */ inputnumbers(&spp, &chars, &nonodes, 1); words = chars / bits + 1; printf("%2ld species, %3ld characters\n", spp, chars); printf("\nReading input file ...\n\n"); getoptions(); if (weights) openfile(&weightfile,WEIGHTFILE,"weights file","r",progname,weightfilename); if(ancvar) openfile(&ancfile,ANCFILE,"ancestors file", "r",progname,ancfilename); if(factors) openfile(&factfile,FACTFILE,"factors file", "r",progname,factfilename); alloctree(&treenode); setuptree(treenode); allocrest(); inputoptions(); inputdata(treenode, dollo, false, stdout); } /* doinput */ void configure() { /* configure to machine -- set up special characters */ chartype a; for (a = horiz; (long)a <= (long)polym; a = (chartype)((long)a + 1)) reversed[(long)a] = false; for (a = horiz; (long)a <= (long)polym; a = (chartype)((long)a + 1)) graphic[(long)a] = false; if (ibmpc) { cha[(long)horiz] = 205; graphic[(long)horiz] = true; cha[(long)vert] = 186; graphic[(long)vert] = true; cha[(long)up] = 186; graphic[(long)up] = true; cha[(long)overt] = 205; graphic[(long)overt] = true; cha[(long)onne] = 219; reversed[(long)onne] = true; cha[(long)zerro] = 176; graphic[(long)zerro] = true; cha[(long)question] = 178; /* or try CHR(177) */ cha[(long)polym] = '\001'; reversed[(long)polym] = true; cha[(long)upcorner] = 200; graphic[(long)upcorner] = true; cha[(long)downcorner] = 201; graphic[(long)downcorner] = true; graphic[(long)question] = true; return; } if (ansi) { cha[(long)onne] = ' '; reversed[(long)onne] = true; cha[(long)horiz] = cha[(long)onne]; reversed[(long)horiz] = true; cha[(long)vert] = cha[(long)onne]; reversed[(long)vert] = true; cha[(long)up] = 'x'; graphic[(long)up] = true; cha[(long)overt] = 'q'; graphic[(long)overt] = true; cha[(long)zerro] = 'a'; graphic[(long)zerro] = true; reversed[(long)zerro] = true; cha[(long)question] = '?'; cha[(long)question] = '?'; reversed[(long)question] = true; cha[(long)polym] = '%'; reversed[(long)polym] = true; cha[(long)upcorner] = 'm'; graphic[(long)upcorner] = true; cha[(long)downcorner] = 'l'; graphic[(long)downcorner] = true; return; } cha[(long)horiz] = '='; cha[(long)vert] = ' '; cha[(long)up] = '!'; cha[(long)overt] = '-'; cha[(long)onne] = '*'; cha[(long)zerro] = '='; cha[(long)question] = '.'; cha[(long)polym] = '%'; cha[(long)upcorner] = '`'; cha[(long)downcorner] = ','; } /* configure */ void prefix(chartype a) { /* give prefix appropriate for this character */ if (reversed[(long)a]) prereverse(ansi); if (graphic[(long)a]) pregraph(ansi); } /* prefix */ void postfix(chartype a) { /* give postfix appropriate for this character */ if (reversed[(long)a]) postreverse(ansi); if (graphic[(long)a]) postgraph(ansi); } /* postfix */ void makechar(chartype a) { /* print out a character with appropriate prefix or postfix */ prefix(a); putchar(cha[(long)a]); postfix(a); } /* makechar */ void dolmove_correct(node *p) { /* get final states for intermediate nodes */ long i; long z0, z1, s0, s1, temp; if (p->tip) return; for (i = 0; i < (words); i++) { if (p->back == NULL) { s0 = zeroanc[i]; s1 = oneanc[i]; } else { s0 = treenode[p->back->index - 1]->statezero[i]; s1 = treenode[p->back->index - 1]->stateone[i]; } z0 = (s0 & p->statezero[i]) | (p->next->back->statezero[i] & p->next->next->back->statezero[i]); z1 = (s1 & p->stateone[i]) | (p->next->back->stateone[i] & p->next->next->back->stateone[i]); if (dollo) { temp = z0 & (~(zeroanc[i] & z1)); z1 &= ~(oneanc[i] & z0); z0 = temp; } temp = fullset & (~z0) & (~z1); p->statezero[i] = z0 | (temp & s0 & (~s1)); p->stateone[i] = z1 | (temp & s1 & (~s0)); } } /* dolmove_correct */ void dolmove_count(node *p) { /* counts the number of steps in a fork of the tree. The program spends much of its time in this PROCEDURE */ long i, j, l; bitptr steps; steps = (bitptr)Malloc(words*sizeof(long)); if (dollo) { for (i = 0; i < (words); i++) steps[i] = (treenode[p->back->index - 1]->stateone[i] & p->statezero[i] & zeroanc[i]) | (treenode[p->back->index - 1]->statezero[i] & p->stateone[i] & oneanc[i]); } else { for (i = 0; i < (words); i++) steps[i] = treenode[p->back->index - 1]->stateone[i] & treenode[p->back->index - 1]->statezero[i] & p->stateone[i] & p->statezero[i]; } j = 1; l = 0; for (i = 0; i < (chars); i++) { l++; if (l > bits) { l = 1; j++; } if (((1L << l) & steps[j - 1]) != 0) { if (((1L << l) & zeroanc[j - 1]) != 0) numszero[i] += weight[i]; else numsone[i] += weight[i]; } } free(steps); } /* dolmove_count */ void preorder(node *p) { /* go back up tree setting up and counting interior node states */ if (!p->tip) { dolmove_correct(p); preorder(p->next->back); preorder(p->next->next->back); } if (p->back != NULL) dolmove_count(p); } /* preorder */ void evaluate(node *r) { /* Determines the number of losses or polymorphisms needed for a tree. This is the minimum number needed to evolve chars on this tree */ long i, stepnum, smaller; double sum; boolean nextcompat, thiscompat, done; sum = 0.0; for (i = 0; i < (chars); i++) { numszero[i] = 0; numsone[i] = 0; } for (i = 0; i < (words); i++) { zeroanc[i] = fullset; oneanc[i] = 0; } compatible = 0; nextcompat = true; postorder(r); preorder(r); for (i = 0; i < (words); i++) { zeroanc[i] = 0; oneanc[i] = fullset; } postorder(r); preorder(r); for (i = 0; i < (chars); i++) { smaller = spp * weight[i]; numsteps[i] = smaller; if (anczero[i]) { numsteps[i] = numszero[i]; smaller = numszero[i]; } if (ancone[i] && numsone[i] < smaller) numsteps[i] = numsone[i]; stepnum = numsteps[i] + extras[i]; if (stepnum <= threshwt[i]) sum += stepnum; else sum += threshwt[i]; thiscompat = (stepnum <= weight[i]); if (factors) { done = (i + 1 == chars); if (!done) done = (factor[i + 1] != factor[i]); nextcompat = (nextcompat && thiscompat); if (done) { if (nextcompat) compatible += weight[i]; nextcompat = true; } } else if (thiscompat) compatible += weight[i]; guess[i] = '?'; if (!ancone[i] || (anczero[i] && numszero[i] < numsone[i])) guess[i] = '0'; else if (!anczero[i] || (ancone[i] && numsone[i] < numszero[i])) guess[i] = '1'; } like = -sum; } /* evaluate */ void reroot(node *outgroup) { /* reorients tree, putting outgroup in desired position. */ node *p, *q, *newbottom, *oldbottom; boolean onleft; if (outgroup->back->index == root->index) return; newbottom = outgroup->back; p = treenode[newbottom->index - 1]->back; while (p->index != root->index) { oldbottom = treenode[p->index - 1]; treenode[p->index - 1] = p; p = oldbottom->back; } onleft = (p == root->next); if (restoring) if (!onleft && wasleft){ p = root->next->next; q = root->next; } else { p = root->next; q = root->next->next; } else { if (onleft) oldoutgrno = root->next->next->back->index; else oldoutgrno = root->next->back->index; wasleft = onleft; p = root->next; q = root->next->next; } p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; if (restoring) { if (!onleft && wasleft) { outgroup->back->back = root->next; outgroup->back = root->next->next; } else { outgroup->back->back = root->next->next; outgroup->back = root->next; } } else { outgroup->back->back = root->next->next; outgroup->back = root->next; } treenode[newbottom->index - 1] = newbottom; } /* reroot */ void dolmove_hyptrav(node *r) { /* compute states at interior nodes for one character */ if (!r->tip) dolmove_correct(r); if (((1L << dispbit) & r->stateone[dispword - 1]) != 0) { if (((1L << dispbit) & r->statezero[dispword - 1]) != 0) { if (dollo) r->state = '?'; else r->state = 'P'; } else r->state = '1'; } else { if (((1L << dispbit) & r->statezero[dispword - 1]) != 0) r->state = '0'; else r->state = '?'; } if (!r->tip) { dolmove_hyptrav(r->next->back); dolmove_hyptrav(r->next->next->back); } } /* dolmove_hyptrav */ void dolmove_hypstates() { /* fill in and describe states at interior nodes */ long i, j, k; for (i = 0; i < (words); i++) { zeroanc[i] = 0; oneanc[i] = 0; } for (i = 0; i < (chars); i++) { j = i / bits + 1; k = i % bits + 1; if (guess[i] == '0') zeroanc[j - 1] = ((long)zeroanc[j - 1]) | (1L << k); if (guess[i] == '1') oneanc[j - 1] = ((long)oneanc[j - 1]) | (1L << k); } filltrav(root); dolmove_hyptrav(root); } /* dolmove_hypstates */ void grwrite(chartype c, long num, long *pos) { int i; prefix(c); for (i = 1; i <= num; i++) { if ((*pos) >= leftedge && (*pos) - leftedge + 1 < screenwidth) putchar(cha[(long)c]); (*pos)++; } postfix(c); } /* grwrite */ void dolmove_drawline(long i) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j, pos; boolean extra, done; Char s, cc; chartype c, d; pos = 1; p = nuroot; q = nuroot; extra = false; if (i == (long)p->ycoord && (p == root || subtree)) { c = overt; if (p == root) cc = guess[dispchar - 1]; else cc = p->state; if (display) { switch (cc) { case '1': c = onne; break; case '0': c = zerro; break; case '?': c = question; break; case 'P': c = polym; break; } } if ((subtree)) stwrite("Subtree:", 8, &pos, leftedge, screenwidth); if (p->index >= 100) nnwrite(p->index, 3, &pos, leftedge, screenwidth); else if (p->index >= 10) { grwrite(c, 1, &pos); nnwrite(p->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(p->index, 1, &pos, leftedge, screenwidth); } extra = true; } else { if (subtree) stwrite(" ", 10, &pos, leftedge, screenwidth); else stwrite(" ", 2, &pos, leftedge, screenwidth); } do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)p->xcoord - (long)q->xcoord; if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if ((long)q->ycoord > (long)p->ycoord) d = upcorner; else d = downcorner; c = overt; s = q->state; if (s == 'P' && p->state != 'P') s = p->state; if (display) { switch (s) { case '1': c = onne; break; case '0': c = zerro; break; case '?': c = question; break; case 'P': c = polym; break; } d = c; } if (n > 1) { grwrite(d, 1, &pos); grwrite(c, n - 3, &pos); } if (q->index >= 100) nnwrite(q->index, 3, &pos, leftedge, screenwidth); else if (q->index >= 10) { grwrite(c, 1, &pos); nnwrite(q->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(q->index, 1, &pos, leftedge, screenwidth); } extra = true; } else if (!q->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { c = up; if (i < (long)p->ycoord) s = p->next->back->state; else s = p->next->next->back->state; if (s == 'P' && p->state != 'P') s = p->state; if (display) { switch (s) { case '1': c = onne; break; case '0': c = zerro; break; case '?': c = question; break; case 'P': c = polym; break; } } grwrite(c, 1, &pos); chwrite(' ', n - 1, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); if (p != q) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { n = 0; for (j = 1; j <= nmlngth; j++) { if (nayme[p->index - 1][j - 1] != '\0') n = j; } chwrite(':', 1, &pos, leftedge, screenwidth); for (j = 0; j < n; j++) chwrite(nayme[p->index - 1][j], 1, &pos, leftedge, screenwidth); } putchar('\n'); } /* dolmove_drawline */ void dolmove_printree() { /* prints out diagram of the tree */ long tipy; long i, dow; if (!subtree) nuroot = root; if (changed || newtree) evaluate(root); if (display) dolmove_hypstates(); if (ansi || ibmpc) printf("\033[2J\033[H"); else putchar('\n'); tipy = 1; dow = down; if (spp * dow > screenlines && !subtree) dow--; printf("(unrooted)"); if (display) { printf(" "); makechar(onne); printf(":1 "); makechar(question); printf(":? "); makechar(zerro); printf(":0 "); makechar(polym); printf(":0/1"); } else printf(" "); if (!earlytree) { printf("%10.1f Steps", -like); } if (display) printf(" SITE%4ld", dispchar); else printf(" "); if (!earlytree) { printf(" %3ld chars compatible\n", compatible); } printf("%-20s",dollo ? "Dollo" : "Polymorphism"); if (changed && !earlytree) { if (-like < bestyet) { printf(" BEST YET!"); bestyet = -like; } else if (fabs(-like - bestyet) < 0.000001) printf(" (as good as best)"); else { if (-like < gotlike) printf(" better"); else if (-like > gotlike) printf(" worse!"); } } printf("\n"); farthest = 0; coordinates(nuroot, &tipy, 1.5, &farthest); vmargin = 5; treelines = tipy - dow; if (topedge != 1){ printf("** %ld lines above screen **\n", topedge - 1); vmargin++;} if ((treelines - topedge + 1) > (screenlines - vmargin)) vmargin++; for (i = 1; i <= treelines; i++) { if (i >= topedge && i < topedge + screenlines - vmargin) dolmove_drawline(i); } if ((treelines - topedge + 1) > (screenlines - vmargin)) printf("** %ld lines below screen **\n", treelines - (topedge - 1 + screenlines - vmargin)); if (treelines - topedge + vmargin + 1 < screenlines) putchar('\n'); gotlike = -like; changed = false; } /* dolmove_printree */ void arbitree() { long i; root = treenode[0]; add2(treenode[0], treenode[1], treenode[spp], &root, restoring, wasleft, treenode); for (i = 3; i <= (spp); i++) add2(treenode[spp + i - 3], treenode[i - 1], treenode[spp + i - 2], &root, restoring, wasleft, treenode); for (i = 0; i < (nonodes); i++) in_tree[i] = true; } /* arbitree */ void yourtree() { long i, j; boolean ok; root = treenode[0]; add2(treenode[0], treenode[1], treenode[spp], &root, restoring, wasleft, treenode); i = 2; do { i++; dolmove_printree(); printf("Add species%3ld: ", i); for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); do { printf("\nbefore node (type number): "); inpnum(&j, &ok); ok = (ok && ((j >= 1 && j < i) || (j > spp && j < spp + i - 1))); if (!ok) printf("Impossible number. Please try again:\n"); } while (!ok); add2(treenode[j - 1], treenode[i - 1], treenode[spp + i - 2], &root, restoring, wasleft, treenode); } while (i != spp); for (i = 0; i < (nonodes); i++) in_tree[i] = true; } /* yourtree */ void initdolmovenode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ /* LM 7/27 I added this function and the commented lines around */ /* treeread() to get the program running, but all 4 move programs*/ /* are improperly integrated into the v4.0 support files. As is */ /* this is a patchwork function */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnutreenode(grbg, p, nodei, chars, zeros); treenode[nodei - 1] = *p; break; case nonbottom: gnutreenode(grbg, p, nodei, chars, zeros); break; case tip: match_names_to_data (str, treenode, p, spp); break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); /* process lengths and discard */ default: /*cases hslength,hsnolength,treewt,unittrwt,iter,*/ break; /*length should never occur */ } } /* initdolmovenode */ void buildtree() { long i, j, nextnode; node *p; changed = false; newtree = false; switch (how) { case arb: arbitree(); break; case use: openfile(&intree,INTREE,"input tree file", "r",progname,intreename); names = (boolean *)Malloc(spp*sizeof(boolean)); firsttree = true; /**/ nodep = NULL; /**/ nextnode = 0; /**/ haslengths = 0; /**/ zeros = (long *)Malloc(chars*sizeof(long)); /**/ for (i = 0; i < chars; i++) /**/ zeros[i] = 0; /**/ treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdolmovenode); /*debug*/ for (i = spp; i < (nonodes); i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->stateone = (bitptr)Malloc(words*sizeof(long)); p->statezero = (bitptr)Malloc(words*sizeof(long)); p = p->next; } } /* debug: see comment at initdolmovenode() */ /*treeread(which, ch, &root, treenode, names);*/ for (i = 0; i < (spp); i++) in_tree[i] = names[i]; free(names); FClose(intree); break; case spec: yourtree(); break; } outgrno = root->next->back->index; if (in_tree[outgrno - 1]) reroot(treenode[outgrno - 1]); } /* buildtree */ void rearrange() { long i, j; boolean ok1, ok2; node *p, *q; printf("Remove everything to the right of which node? "); inpnum(&i, &ok1); ok1 = (ok1 && i >= 1 && i < spp * 2 && i != root->index); if (ok1) { printf("Add before which node? "); inpnum(&j, &ok2); ok2 = (ok2 && j >= 1 && j < spp * 2); if (ok2) { ok2 = (treenode[j - 1] != treenode[treenode[i - 1]->back->index - 1]); p = treenode[j - 1]; while (p != root) { ok2 = (ok2 && p != treenode[i - 1]); p = treenode[p->back->index - 1]; } if (ok1 && ok2) { what = i; q = treenode[treenode[i - 1]->back->index - 1]; if (q->next->back->index == i) fromwhere = q->next->next->back->index; else fromwhere = q->next->back->index; towhere = j; re_move2(&treenode[i - 1], &q, &root, &wasleft, treenode); add2(treenode[j - 1], treenode[i - 1], q, &root, restoring, wasleft, treenode); } lastop = rearr; } } changed = (ok1 && ok2); dolmove_printree(); if (!(ok1 && ok2)) printf("Not a possible rearrangement. Try again: \n"); else { oldwritten = written; written = false; } } /* rearrange */ void tryadd(node *p, node **item, node **nufork, double *place) { /* temporarily adds one fork and one tip to the tree. Records scores in ARRAY place */ add2(p, *item, *nufork, &root, restoring, wasleft, treenode); evaluate(root); place[p->index - 1] = -like; re_move2(item, nufork, &root, &wasleft, treenode); } /* tryadd */ void addpreorder(node *p, node *item_, node *nufork_, double *place) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ node *item, *nufork; item = item_; nufork = nufork_; if (p == NULL) return; tryadd(p, &item,&nufork,place); if (!p->tip) { addpreorder(p->next->back, item,nufork,place); addpreorder(p->next->next->back,item,nufork,place); } } /* addpreorder */ void try() { /* Remove node, try it in all possible places */ double *place; long i, j, oldcompat; double current; node *q, *dummy, *rute; boolean tied, better, ok; printf("Try other positions for which node? "); inpnum(&i, &ok); if (!(ok && i >= 1 && i <= nonodes && i != root->index)) { printf("Not a possible choice! "); return; } printf("WAIT ...\n"); place = (double *)Malloc(nonodes*sizeof(double)); for (j = 0; j < (nonodes); j++) place[j] = -1.0; evaluate(root); current = -like; oldcompat = compatible; what = i; q = treenode[treenode[i - 1]->back->index - 1]; if (q->next->back->index == i) fromwhere = q->next->next->back->index; else fromwhere = q->next->back->index; rute = root; if (root->index == treenode[i - 1]->back->index) { if (treenode[treenode[i - 1]->back->index - 1]->next->back == treenode[i - 1]) rute = treenode[treenode[i - 1]->back->index - 1]->next->next->back; else rute = treenode[treenode[i - 1]->back->index - 1]->next->back; } re_move2(&treenode[i - 1], &dummy, &root, &wasleft, treenode); oldleft = wasleft; root = rute; addpreorder(root, treenode[i - 1], dummy, place); wasleft = oldleft; restoring = true; add2(treenode[fromwhere - 1], treenode[what - 1], dummy, &root, restoring, wasleft, treenode); like = -current; compatible = oldcompat; restoring = false; better = false; printf(" BETTER: "); for (j = 1; j <= (nonodes); j++) { if (place[j - 1] < current && place[j - 1] >= 0.0) { printf("%3ld:%6.2f", j, place[j - 1]); better = true; } } if (!better) printf(" NONE"); printf("\n TIED: "); tied = false; for (j = 1; j <= (nonodes); j++) { if (fabs(place[j - 1] - current) < 1.0e-6 && j != fromwhere) { if (j < 10) printf("%2ld", j); else printf("%3ld", j); tied = true; } } if (tied) printf(":%6.2f\n", current); else printf("NONE\n"); changed = true; free(place); } /* try */ void undo() { /* restore to tree before last rearrangement */ long temp; boolean btemp; node *q; switch (lastop) { case rearr: restoring = true; oldleft = wasleft; re_move2(&treenode[what - 1], &q, &root, &wasleft, treenode); btemp = wasleft; wasleft = oldleft; add2(treenode[fromwhere - 1], treenode[what - 1], q, &root, restoring, wasleft, treenode); wasleft = btemp; restoring = false; temp = fromwhere; fromwhere = towhere; towhere = temp; changed = true; break; case flipp: q = treenode[atwhat - 1]->next->back; treenode[atwhat - 1]->next->back = treenode[atwhat - 1]->next->next->back; treenode[atwhat - 1]->next->next->back = q; treenode[atwhat - 1]->next->back->back = treenode[atwhat - 1]->next; treenode[atwhat - 1]->next->next->back->back = treenode[atwhat - 1]->next->next; break; case reroott: restoring = true; temp = oldoutgrno; oldoutgrno = outgrno; outgrno = temp; reroot(treenode[outgrno - 1]); restoring = false; break; case none: /* blank case */ break; } dolmove_printree(); if (lastop == none) { printf("No operation to undo! "); return; } btemp = oldwritten; oldwritten = written; written = btemp; } /* undo */ void treewrite(boolean done) { /* write out tree to a file */ Char ch; treeoptions(waswritten, &ch, &outtree, outtreename, progname); if (!done) dolmove_printree(); if (waswritten && ch == 'N') return; col = 0; treeout(root, 1, &col, root); printf("\nTree written to file \"%s\"\n\n", outtreename); waswritten = true; written = true; FClose(outtree); #ifdef MAC fixmacfile(outtreename); #endif } /* treewrite */ void clade() { /* pick a subtree and show only that on screen */ long i; boolean ok; printf("Select subtree rooted at which node (0 for whole tree)? "); inpnum(&i, &ok); ok = (ok && ((unsigned)i) <= ((unsigned)nonodes)); if (ok) { subtree = (i > 0); if (subtree) nuroot = treenode[i - 1]; else nuroot = root; } dolmove_printree(); if (!ok) printf("Not possible to use this node. "); } /* clade */ void flip() { /* flip at a node left-right */ long i; boolean ok; node *p; printf("Flip branches at which node? "); inpnum(&i, &ok); ok = (ok && i > spp && i <= nonodes); if (ok) { p = treenode[i - 1]->next->back; treenode[i - 1]->next->back = treenode[i - 1]->next->next->back; treenode[i - 1]->next->next->back = p; treenode[i - 1]->next->back->back = treenode[i - 1]->next; treenode[i - 1]->next->next->back->back = treenode[i - 1]->next->next; atwhat = i; lastop = flipp; } dolmove_printree(); if (ok) { oldwritten = written; written = false; return; } if (i >= 1 && i <= spp) printf("Can't flip there. "); else printf("No such node. "); } /* flip */ void changeoutgroup() { long i; boolean ok; oldoutgrno = outgrno; do { printf("Which node should be the new outgroup? "); inpnum(&i, &ok); ok = (ok && in_tree[i - 1] && i >= 1 && i <= nonodes && i != root->index); if (ok) outgrno = i; } while (!ok); if (in_tree[outgrno - 1]) reroot(treenode[outgrno - 1]); changed = true; lastop = reroott; dolmove_printree(); oldwritten = written; written = false; } /* changeoutgroup */ void redisplay() { boolean done; char input[100]; done = false; waswritten = false; do { printf("NEXT? (Options: R # + - S . T U W O F H J K L C ? X Q) "); printf("(? for Help) "); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); ch = input[0]; uppercase(&ch); if (strchr("RSWH#.O?+TFX-UCQHJKL",ch) != NULL){ switch (ch) { case 'R': rearrange(); break; case '#': nextinc(&dispchar, &dispword, &dispbit, chars, bits, &display, numsteps, weight); dolmove_printree(); break; case '+': nextchar(&dispchar, &dispword, &dispbit, chars, bits, &display); dolmove_printree(); break; case '-': prevchar(&dispchar, &dispword, &dispbit, chars, bits, &display); dolmove_printree(); break; case 'S': show(&dispchar, &dispword, &dispbit, chars, bits, &display); dolmove_printree(); break; case '.': dolmove_printree(); break; case 'T': try(); break; case 'U': undo(); break; case 'W': treewrite(done); break; case 'O': changeoutgroup(); break; case 'F': flip(); break; case 'H': window(left, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dolmove_printree(); break; case 'J': window(downn, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dolmove_printree(); break; case 'K': window(upp, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dolmove_printree(); break; case 'L': window(right, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); dolmove_printree(); break; case 'C': clade(); break; case '?': help("character"); dolmove_printree(); break; case 'X': done = true; break; case 'Q': done = true; break; } } } while (!done); if (!written) { do { printf("Do you want to write out the tree to a file? (Y or N) "); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); ch = input[0]; } while (ch != 'Y' && ch != 'y' && ch != 'N' && ch != 'n'); } if (ch == 'Y' || ch == 'y') treewrite(done); } /* redisplay */ void treeconstruct() { /* constructs a binary tree from the pointers in treenode. */ restoring = false; subtree = false; display = false; dispchar = 0; fullset = (1L << (bits + 1)) - (1L << 1); guess = (Char *)Malloc(chars*sizeof(Char)); numsteps = (steptr)Malloc(chars*sizeof(long)); earlytree = true; buildtree(); waswritten = false; printf("\nComputing steps needed for compatibility in sites ...\n\n"); newtree = true; earlytree = false; dolmove_printree(); bestyet = -like; gotlike = -like; lastop = none; newtree = false; written = false; lastop = none; redisplay(); } /* treeconstruct */ int main(int argc, Char *argv[]) { /* Interactive Dollo/polymorphism parsimony */ /* reads in spp, chars, and the data. Then calls treeconstruct to construct the tree and query the user */ #ifdef MAC argc = 1; /* macsetup("Dolmove",""); */ argv[0] = "Dolmove"; #endif init(argc, argv); progname = argv[0]; strcpy(infilename,INFILE); strcpy(outtreename,OUTTREE); strcpy(intreename,INTREE); openfile(&infile,infilename,"input file", "r",argv[0],infilename); screenlines = 24; scrollinc = 20; screenwidth = 80; topedge = 1; leftedge = 1; ibmpc = IBMCRT; ansi = ANSICRT; root = NULL; bits = 8*sizeof(long) - 1; doinput(); configure(); treeconstruct(); if (waswritten) { FClose(outtree); #ifdef MAC fixmacfile(outtreename); #endif } FClose(infile); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Interactive Dollo/polymorphism parsimony */ ./arbsrc_9167/GDE/PHYLIP/dolpenny.c0000644012664100000130000004667211213220011016535 0ustar arb_buildcoders#include "phylip.h" #include "disc.h" #include "dollo.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of trees to be printed out */ #define often 100 /* how often to notify how many trees examined */ #define many 1000 /* how many multiples of howoften before stop */ typedef long *treenumbers; typedef double *valptr; typedef long *placeptr; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void doinput(void); void preorder(node *); void evaluate(node *); void addtraverse(node *, node *, node *, placeptr, valptr, long *); void addit(long); void describe(void); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH], ancfilename[FNMLNGTH]; node *root; long howmany, howoften, col, msets, ith; boolean weights, thresh, ancvar, questions, dollo, simple, trout, progress, treeprint, stepbox, ancseq, mulsets, firstset, justwts; boolean *ancone, *anczero, *ancone0, *anczero0; pointptr treenode; /* pointers to all nodes in tree */ double fracdone, fracinc; double threshold; double *threshwt; boolean *added; Char *guess; steptr numsteps, numsone, numszero; gbit *garbage; long **bestorders, **bestrees; /* Local variables for maketree, propagated globally for C version: */ long examined, mults; boolean firsttime, done; double like, bestyet; treenumbers current, order; long fullset; bitptr zeroanc, oneanc; bitptr stps; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; boolean done; fprintf(outfile, "\nPenny algorithm for Dollo or polymorphism"); fprintf(outfile, " parsimony, version %s\n",VERSION); fprintf(outfile, " branch-and-bound to find all"); fprintf(outfile, " most parsimonious trees\n\n"); howoften = often; howmany = many; simple = true; thresh = false; threshold = spp; trout = true; weights = false; justwts = false; ancvar = false; dollo = true; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; loopcount = 0; do { cleerhome(); printf("\nPenny algorithm for Dollo or polymorphism parsimony,"); printf(" version %s\n",VERSION); printf(" branch-and-bound to find all most parsimonious trees\n\n"); printf("Settings for this run:\n"); printf(" P Parsimony method? %s\n", (dollo ? "Dollo" : "Polymorphism")); printf(" H How many groups of %4ld trees:%6ld\n",howoften,howmany); printf(" F How often to report, in trees:%5ld\n",howoften); printf(" S Branch and bound is simple? %s\n", (simple ? "Yes" : "No. Reconsiders order of species")); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per char.\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" A Use ancestral states? %s\n", (ancvar ? "Yes" : "No")); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "no")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes": "No")); printf(" 4 Print out steps in each character %s\n", (stepbox ? "Yes" : "No")); printf(" 5 Print states at all nodes of tree %s\n", (ancseq ? "Yes" : "No")); printf(" 6 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if (strchr("WHMSTAPF1234560",ch) != NULL){ switch (ch) { case 'W': weights = !weights; break; case 'H': inithowmany(&howmany, howoften); break; case 'F': inithowoften(&howoften); break; case 'A': ancvar = !ancvar; break; case 'P': dollo = !dollo; break; case 'S': simple = !simple; break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); } break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); } /* getoptions */ void allocrest() { long i; extras = (long *)Malloc(chars*sizeof(long)); weight = (long *)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); guess = (Char *)Malloc(chars*sizeof(Char)); numsteps = (long *)Malloc(chars*sizeof(long)); numszero = (long *)Malloc(chars*sizeof(long)); numsone = (long *)Malloc(chars*sizeof(long)); bestorders = (long **)Malloc(maxtrees*sizeof(long *)); bestrees = (long **)Malloc(maxtrees*sizeof(long *)); for (i = 1; i <= maxtrees; i++) { bestorders[i - 1] = (long *)Malloc(spp*sizeof(long)); bestrees[i - 1] = (long *)Malloc(spp*sizeof(long)); } current = (treenumbers)Malloc(spp*sizeof(long)); order = (treenumbers)Malloc(spp*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); added = (boolean *)Malloc(nonodes*sizeof(boolean)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); zeroanc = (bitptr)Malloc(words*sizeof(long)); oneanc = (bitptr)Malloc(words*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); words = chars / bits + 1; getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld characters\n", spp, chars); alloctree(&treenode); setuptree(treenode); allocrest(); } /* doinit */ void inputoptions() { /* input the information on the options */ long i; if(justwts){ if(firstset){ scan_eoln(infile); if (ancvar) { inputancestorsnew(anczero0, ancone0); } } for (i = 0; i < (chars); i++) weight[i] = 1; inputweights(chars, weight, &weights); } else { if (!firstset) samenumsp(&chars, ith); scan_eoln(infile); for (i = 0; i < (chars); i++) weight[i] = 1; if (ancvar) inputancestorsnew(anczero0, ancone0); if (weights) inputweights(chars, weight, &weights); } for (i = 0; i < (chars); i++) { if (!ancvar) { anczero[i] = true; ancone[i] = false; } else { anczero[i] = anczero0[i]; ancone[i] = ancone0[i]; } } questions = false; if (!thresh) threshold = spp; for (i = 0; i < (chars); i++) { questions = (questions || (ancone[i] && anczero[i])); threshwt[i] = threshold * weight[i]; } } /* inputoptions */ void doinput() { /* reads the input data */ inputoptions(); if(!justwts || firstset) inputdata(treenode, dollo, printdata, outfile); } /* doinput */ void preorder(node *p) { /* go back up tree setting up and counting interior node states */ long i; if (!p->tip) { correct(p, fullset, dollo, zeroanc, treenode); preorder(p->next->back); preorder(p->next->next->back); } if (p->back == NULL) return; if (dollo) { for (i = 0; i < (words); i++) stps[i] = (treenode[p->back->index - 1]->stateone[i] & p->statezero[i] & zeroanc[i]) | (treenode[p->back->index - 1]->statezero[i] & p->stateone[i] & fullset & (~zeroanc[i])); } else { for (i = 0; i < (words); i++) stps[i] = treenode[p->back->index - 1]->stateone[i] & treenode[p->back->index - 1]->statezero[i] & p->stateone[i] & p->statezero[i]; } count(stps, zeroanc, numszero, numsone); } /* preorder */ void evaluate(node *r) { /* Determines the number of losses or polymorphisms needed for a tree. This is the minimum number needed to evolve chars on this tree */ long i, stepnum, smaller; double sum; sum = 0.0; for (i = 0; i < (chars); i++) { numszero[i] = 0; numsone[i] = 0; } for (i = 0; i < (words); i++) zeroanc[i] = fullset; postorder(r); preorder(r); for (i = 0; i < (words); i++) zeroanc[i] = 0; postorder(r); preorder(r); for (i = 0; i < (chars); i++) { smaller = spp * weight[i]; numsteps[i] = smaller; if (anczero[i]) { numsteps[i] = numszero[i]; smaller = numszero[i]; } if (ancone[i] && numsone[i] < smaller) numsteps[i] = numsone[i]; stepnum = numsteps[i] + extras[i]; if (stepnum <= threshwt[i]) sum += stepnum; else sum += threshwt[i]; guess[i] = '?'; if (!ancone[i] || (anczero[i] && numszero[i] < numsone[i])) guess[i] = '0'; else if (!anczero[i] || (ancone[i] && numsone[i] < numszero[i])) guess[i] = '1'; } if (examined == 0 && mults == 0) bestyet = -1.0; like = sum; } /* evaluate */ void addtraverse(node *a, node *b, node *c, placeptr place, valptr valyew, long *n) { /* traverse all places to add b */ if (done) return; add(a, b, c, &root, treenode); (*n)++; evaluate(root); examined++; if (examined == howoften) { examined = 0; mults++; if (mults == howmany) done = true; if (progress) { printf("%6ld",mults); if (bestyet >= 0) printf("%18.5f", bestyet); else printf(" - "); printf("%17ld%20.2f\n", nextree - 1, fracdone * 100); #ifdef WIN32 phyFillScreenColor(); #endif } } valyew[*n - 1] = like; place[*n - 1] = a->index; re_move(&b, &c, &root, treenode); if (!a->tip) { addtraverse(a->next->back, b, c, place,valyew,n); addtraverse(a->next->next->back, b, c, place,valyew,n); } } /* addtraverse */ void addit(long m) { /* adds the species one by one, recursively */ long n; valptr valyew; placeptr place; long i, j, n1, besttoadd = 0; valptr bestval; placeptr bestplace; double oldfrac, oldfdone, sum, bestsum; valyew = (valptr)Malloc(nonodes*sizeof(double)); bestval = (valptr)Malloc(nonodes*sizeof(double)); place = (placeptr)Malloc(nonodes*sizeof(long)); bestplace = (placeptr)Malloc(nonodes*sizeof(long)); if (simple && !firsttime) { n = 0; added[order[m - 1] - 1] = true; addtraverse(root, treenode[order[m - 1] - 1], treenode[spp + m - 2], place, valyew, &n); besttoadd = order[m - 1]; memcpy(bestplace, place, nonodes*sizeof(long)); memcpy(bestval, valyew, nonodes*sizeof(double)); } else { bestsum = -1.0; for (i = 1; i <= (spp); i++) { if (!added[i - 1]) { n = 0; added[i - 1] = true; addtraverse(root, treenode[i - 1], treenode[spp + m - 2], place, valyew, &n); added[i - 1] = false; sum = 0.0; for (j = 0; j < n; j++) sum += valyew[j]; if (sum > bestsum) { bestsum = sum; besttoadd = i; memcpy(bestplace, place, nonodes*sizeof(long)); memcpy(bestval, valyew, nonodes*sizeof(double)); } } } } order[m - 1] = besttoadd; memcpy(place, bestplace, nonodes*sizeof(long)); memcpy(valyew, bestval, nonodes*sizeof(double)); shellsort(valyew, place, n); oldfrac = fracinc; oldfdone = fracdone; n1 = 0; for (i = 0; i < (n); i++) { if (valyew[i] <= bestyet || bestyet < 0.0) n1++; } if (n1 > 0) fracinc /= n1; for (i = 0; i < n; i++) { if (valyew[i] <=bestyet ||bestyet < 0.0) { current[m - 1] = place[i]; add(treenode[place[i] - 1], treenode[besttoadd - 1], treenode[spp + m - 2], &root, treenode); added[besttoadd - 1] = true; if (m < spp) addit(m + 1); else { if (valyew[i] < bestyet || bestyet < 0.0) { nextree = 1; bestyet = valyew[i]; } if (nextree <= maxtrees) { memcpy(bestorders[nextree - 1], order, spp*sizeof(long)); memcpy(bestrees[nextree - 1], current, spp*sizeof(long)); } nextree++; firsttime = false; } re_move(&treenode[besttoadd - 1], &treenode[spp + m - 2], &root, treenode); added[besttoadd - 1] = false; } fracdone += fracinc; } fracinc = oldfrac; fracdone = oldfdone; free(valyew); free(bestval); free(place); free(bestplace); } /* addit */ void describe() { /* prints ancestors, steps and table of numbers of steps in each character */ if (stepbox) { putc('\n', outfile); writesteps(weights, dollo, numsteps); } if (questions) guesstates(guess); if (ancseq) { hypstates(fullset, dollo, guess, treenode, root, garbage, zeroanc, oneanc); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout(root, nextree, &col, root); } } /* describe */ void maketree() { /* tree construction recursively by branch and bound */ long i, j, k; node *dummy; fullset = (1L << (bits + 1)) - (1L << 1); if (progress) { printf("\nHow many\n"); printf("trees looked Approximate\n"); printf("at so far Length of How many percentage\n"); printf("(multiples shortest tree trees this long searched\n"); printf("of %4ld): found so far found so far so far\n", howoften); printf("---------- ------------ ------------ ------------\n"); #ifdef WIN32 phyFillScreenColor(); #endif } done = false; mults = 0; examined = 0; nextree = 1; root = treenode[0]; firsttime = true; for (i = 0; i < (spp); i++) added[i] = false; added[0] = true; order[0] = 1; k = 2; fracdone = 0.0; fracinc = 1.0; bestyet = -1.0; stps = (bitptr)Malloc(words*sizeof(long)); addit(k); if (done) { if (progress) { printf("Search broken off! Not guaranteed to\n"); printf(" have found the most parsimonious trees.\n"); } if (treeprint) { fprintf(outfile, "Search broken off! Not guaranteed to\n"); fprintf(outfile, " have found the most parsimonious\n"); fprintf(outfile, " trees, but here is what we found:\n"); } } if (treeprint) { fprintf(outfile, "\nrequires a total of %18.3f\n\n", bestyet); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%5ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i < (spp); i++) added[i] = true; for (i = 0; i <= (nextree - 2); i++) { for (j = k; j <= (spp); j++) add(treenode[bestrees[i][j - 1] - 1], treenode[bestorders[i][j - 1] - 1], treenode[spp + j - 2], &root, treenode); evaluate(root); printree(1.0, treeprint, root); describe(); for (j = k - 1; j < (spp); j++) re_move(&treenode[bestorders[i][j] - 1], &dummy, &root, treenode); } if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n\n", outtreename); } free(stps); if (ancseq) freegarbage(&garbage); } /* maketree */ int main(int argc, Char *argv[]) { /* branch-and-bound method for Dollo, polymorphism parsimony */ /* Reads in the number of species, number of characters, options and data. Then finds all most parsimonious trees */ #ifdef MAC argc = 1; /* macsetup("Dolpenny",""); */ argv[0] = "Dolpenny"; #endif init(argc, argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; garbage = NULL; mulsets = false; msets = 1; firstset = true; bits = 8*sizeof(long) - 1; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); if(ancvar) openfile(&ancfile,ANCFILE,"ancestors file", "r",argv[0],ancfilename); fprintf(outfile,"%s parsimony method\n\n",dollo ? "Dollo" : "Polymorphism"); for (ith = 1; ith <= msets; ith++) { doinput(); if (msets > 1 && !justwts) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } if (justwts){ fprintf(outfile, "Weights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata){ if (weights || justwts) printweights(outfile, 0, chars, weight, "Characters"); if (ancvar) printancestors(outfile, anczero, ancone); } if (ith == 1) firstset = false; maketree(); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* branch-and-bound method for Dollo, polymorphism parsimony */ ./arbsrc_9167/GDE/PHYLIP/draw2.c0000644012664100000130000015530611213220011015717 0ustar arb_buildcoders #include /* Metrowerks for windows defines WIN32 here */ #define swap_m(x,y) temp = y,y=x,x=temp; extern long winheight; extern long winwidth; #ifdef WIN32 #include HDC hdc; /******* Menu Defines *******/ #define IDM_ABOUT 1000 #define IDM_PLOT 1001 #define IDM_CHANGE 1002 #define IDM_QUIT 1003 #define XWINPERCENT 0.66 #define YWINPERCENT 0.66 #endif #ifdef QUICKC extern struct videoconfig myscreen; #endif #include "draw.h" static long eb[]={ 0 , 1 ,2 ,3 ,55,45,46,47,22,5,37,11,12,13,14,15,16,17,18,19,60,61,50,38, 24, 25,63,39,28,29,30,31,64,90,127,123,91,108,80,125,77,93,92,78,107,96, 75,97,240,241,242,243,244,245,246,247,248,249,122,94,76,126,110,111, 124, 193,194,195,196,197,198,199,200,201,209,210,211, 212,213,214,215,216,217, 226,227,228,229,230,231,232,233,173,224,189, 95,109,121,129,130,131,132, 133,134,135,136,137,145,146,147,148,149,150, 151, 152,153,162,163,164,165, 166,167,168,169,192,79,208,161,7}; double oldxreal, oldyreal; boolean didenter, didexit, curvetrue; extern long vrmlplotcolor; extern double oldx, oldy ; /*xx only here for debugging */ extern node *root; extern long nmoves, oldpictint ; extern long rootmatrix[51][51]; extern long strpbottom,strptop,strpwide,strpdeep; extern boolean dotmatrix, empty, previewing; extern double ynow, ysize, xsize, yunitspercm; extern FILE *plotfile; extern plottertype plotter; extern striptype stripe; extern long vrmltreecolor, vrmlnamecolor, vrmlskycolorfar, vrmlskycolornear, vrmlgroundcolorfar, vrmlgroundcolornear; extern colortype colors[7]; extern vrmllighttype vrmllights[3]; extern double pie; double pie = 3.141592654; /* Added by Dan F. for the new previewing paradigm */ extern double labelline,linewidth,oldxhigh,oldxlow,oldyhigh,oldylow, vrmllinewidth, raylinewidth,treeline,oldxsize,oldysize,oldxunitspercm, oldyunitspercm,oldxcorner,oldycorner,clipx0,clipx1,clipy0,clipy1; /* func. protocol added for vrml - danieyek 981111 */ extern long strpdiv,hpresolution; extern boolean preview,pictbold,pictitalic, pictshadow,pictoutline; extern double expand,xcorner,xnow,xscale,xunitspercm, ycorner,yscale,labelrotation, labelheight,ymargin,pagex,pagey,paperx,papery,hpmargin,vpmargin; extern long filesize; extern growth grows; extern enum {yes,no} penchange,oldpenchange; extern plottertype oldplotter,previewer; extern char resopts; extern winactiontype winaction; #ifndef OLDC /* function prototypes */ void plotdot(long, long); void circlepoints(int, int, int, int); void drawpen(long, long, long); void drawfatline(long, long, long, long, long); void idellipse(double, double); void splyne(double,double,double,double,boolean,long,boolean,boolean); static void putshort(FILE *, int); static void putint(FILE *, int); void reverse_bits (byte *, int); void makebox_no_interaction(char *, double *, double *, double *, long); void void_func(void); /* function prototypes */ #endif void plotdot(long ix, long iy) { /* plot one dot at ix, iy */ long ix0, iy0, iy1 = 0, iy2 = 0; iy0 = strptop - iy; if ((unsigned)iy0 > strpdeep || ix <= 0 || ix > strpwide) return; empty = false; ix0 = ix; switch (plotter) { case citoh: iy1 = 1; iy2 = iy0; break; case epson: iy1 = 1; iy2 = 7 - iy0; break; case oki: iy1 = 1; iy2 = 7 - iy0; break; case toshiba: iy1 = iy0 / 6 + 1; iy2 = 5 - iy0 % 6; break; case pcx: iy1 = iy0 + 1; ix0 = (ix - 1) / 8 + 1; iy2 = 7 - ((ix - 1) & 7); break; case pcl: iy1 = iy0 + 1; ix0 = (ix - 1) / 8 + 1; iy2 = 7 - ((ix - 1) & 7); break; case bmp: iy1 = iy0 + 1; ix0 = (ix - 1) / 8 + 1; iy2 = 7 - ((ix - 1) & 7); case xbm: case gif: iy1 = iy0 + 1; ix0 = (ix - 1) / 8 + 1; iy2 = (ix - 1) & 7; break; case lw: case hp: case tek: case mac: case houston: case decregis: case fig: case pict: case ray: case pov: case idraw: case ibm: case other: break; default: /* cases xpreview and vrml not handled */ break; /* code for making dot array for a new printer goes here */ } stripe[iy1 - 1][ix0 - 1] |= (unsigned char)1< x){ if (d < 0) { d = d + deltaE; deltaE += 2; deltaSE += 2; x++; } else { d+=deltaSE; deltaE += 2; deltaSE += 4; x++; y--; } circlepoints(x,y,x0,y0); } } /* drawpen */ void drawfatline(long ixabs, long iyabs, long ixnow, long iynow, long penwide) { long temp, xdiff, ydiff, err, x1, y1; didenter = false; didexit = false; if (ixabs < ixnow) { temp = ixnow; ixnow = ixabs; ixabs = temp; temp = iynow; iynow = iyabs; iyabs = temp; } xdiff = ixabs - ixnow; ydiff = iyabs - iynow; if (ydiff >= 0) { if (xdiff >= ydiff) { err = -(xdiff / 2); x1 = ixnow; while (x1 <= ixabs && !(didenter && didexit)) { drawpen(x1, iynow, penwide); err += ydiff; if (err > 0) { iynow++; err -= xdiff; } x1++; } return; } err = -(ydiff / 2); y1 = iynow; while (y1 < iyabs && !(didenter && didexit)) { drawpen(ixnow, y1, penwide); err += xdiff; if (err > 0) { ixnow++; err -= ydiff; } y1++; } return; } if (xdiff < -ydiff) { err = ydiff / 2; y1 = iynow; while (y1 >= iyabs && !(didenter && didexit)) { drawpen(ixnow, y1, penwide); err += xdiff; if (err > 0) { ixnow++; err += ydiff; } y1--; } return; } err = -(xdiff / 2); x1 = ixnow; while (x1 <= ixabs && !(didenter && didexit)) { drawpen(x1, iynow, penwide); err -= ydiff; if (err > 0) { iynow--; err -= xdiff; } x1++; } } /* drawfatline */ void plot(pensttstype pen, double xabs, double yabs) { long xhigh, yhigh, xlow, ylow, ixnow, iynow, ixabs, iyabs, cdx, cdy, temp, i; long pictint; double newx, newy, dx, dy, lscale, dxreal, dyreal; Char picthi, pictlo; /* added to give every line a name in vrml! - danieyek 981110 */ static long lineCount = 0; /* Record the first node as the coordinate for viewpoint! */ static int firstNodeP=1; double distance, angle; double episilon = 1.0e-10; /* For povray, added by Dan F. */ char texture_string[7]; /* remember to respect & translate for clipping region, clip{x,y}{0,1} */ if (!dotmatrix || previewing) { switch (plotter) { case xpreview: if (pen == pendown) { #ifdef X XDrawLine(display,mainwin,gc1,(long)oldx,(long)(height-oldy), (long)xabs,(long)(height-yabs)); #endif } oldx = xabs; oldy = yabs; break; case winpreview: #ifdef WIN32 if (pen == pendown) { LineTo(hdc, (int) xabs, (int)(winheight-yabs)); } else { MoveToEx(hdc, (int) xabs, (int) (winheight-yabs), (LPPOINT) NULL); } #endif break; case tek: if (pen == penup) { if (previewing) putchar('\035'); else putc('\035', plotfile); } ixnow = (long)floor(xabs + 0.5); iynow = (long)floor(yabs + 0.5); xhigh = ixnow / 32; yhigh = iynow / 32; xlow = ixnow & 31; ylow = iynow & 31; if (!ebcdic) { if (yhigh != oldyhigh) { if (previewing) putchar(yhigh + 32); else putc(yhigh + 32, plotfile); } if (ylow != oldylow || xhigh != oldxhigh) { if (previewing) putchar(ylow + 96); else putc(ylow + 96, plotfile); } if (xhigh != oldxhigh) { if (previewing) putchar(xhigh + 32); else putc(xhigh + 32, plotfile); } if (previewing) putchar(xlow + 64); else putc(xlow + 64, plotfile); } else { /* DLS/JMH -- for systems that use EBCDIC coding */ if (yhigh != oldyhigh) { if (previewing) putchar(eb[yhigh + 32]); else putc(eb[yhigh + 32], plotfile); } if (ylow != oldylow || xhigh != oldxhigh) { if (previewing) putchar(eb[ylow + 96]); else putc(eb[ylow + 96], plotfile); } if (xhigh != oldxhigh) { if (previewing) putchar(eb[xhigh + 32]); else putc(eb[xhigh + 32], plotfile); } if (previewing) putchar(eb[xlow + 64]); else putc(eb[xlow + 64], plotfile); } oldxhigh = xhigh; oldxlow = xlow; oldyhigh = yhigh; oldylow = ylow; break; case hp: if (pen == pendown) fprintf(plotfile, "PD"); else fprintf(plotfile, "PU"); pout((long)floor(xabs + 0.5)); putc(',', plotfile); pout((long)floor(yabs + 0.5)); fprintf(plotfile, ";\n"); break; case pict: newx = floor(xabs + 0.5); newy = floor(ysize * yunitspercm - yabs + 0.5); if (pen == pendown) { if (linewidth > 5) { dxreal = xabs - oldxreal; dyreal = yabs - oldyreal; lscale = sqrt(dxreal * dxreal + dyreal * dyreal) / (fabs(dxreal) + fabs(dyreal)); pictint = (long)(lscale * linewidth + 0.5); if (pictint == 0) pictint = 1; if (pictint != oldpictint) { picthi = (Char)(pictint / 256); pictlo = (Char)(pictint & 255); fprintf(plotfile, "\007%c%c%c%c", picthi, pictlo, picthi, pictlo); } oldpictint = pictint; } fprintf(plotfile, " %c%c%c%c", (Char)((long) oldy / 256), (Char)((long) oldy & 255), (Char)((long) oldx / 256), (Char)((long) oldx & 255)); fprintf(plotfile, "%c%c%c%c", (Char)((long)newy / 256), (Char)((long)newy & 255), (Char)((long)newx / 256), (Char)((long)newx & 255)); } oldxreal = xabs; oldyreal = yabs; oldx = newx; oldy = newy; break; case ray: if (pen == pendown) { if (linewidth != treeline) { if (raylinewidth > labelline) { raylinewidth = labelline; fprintf(plotfile, "end\n\n"); fprintf(plotfile, "name species_names\n"); fprintf(plotfile, "grid 22 22 22\n"); } } if (oldxreal != xabs || oldyreal != yabs) { raylinewidth *= 0.99999; fprintf(plotfile, "cylinder %8.7f %6.3f 0 %6.3f %6.3f 0 %6.3f\n", raylinewidth, oldxreal, oldyreal, xabs, yabs); fprintf(plotfile, "sphere %8.7f %6.3f 0 %6.3f\n", raylinewidth, xabs, yabs); } } oldxreal = xabs; oldyreal = yabs; break; case pov: /* Default to writing out tree texture... */ strcpy (texture_string, TREE_TEXTURE); if (pen == pendown) { if (linewidth != treeline) { /* Change the texture to name texture */ strcpy (texture_string, NAME_TEXTURE); if (raylinewidth > labelline) { raylinewidth = labelline; fprintf(plotfile, "\n// Now, the species names:\n\n"); } } if (oldxreal != xabs || oldyreal != yabs) { raylinewidth *= 0.99999; fprintf(plotfile, "cylinder { <%6.3f, 0, %6.3f,>, <%6.3f, 0, %6.3f>, %8.7f \n", oldxreal, oldyreal, xabs, yabs, raylinewidth); fprintf(plotfile, "\ttexture { %s } }\n", texture_string); fprintf(plotfile, "sphere { <%6.3f, 0, %6.3f>, %8.7f \n", xabs, yabs, raylinewidth); fprintf(plotfile, "\ttexture { %s } }\n", texture_string); } } oldxreal = xabs; oldyreal = yabs; break; case lw: if (pen == pendown){ /* If there's NO possibility that the line interesects the page, * leave it out. Otherwise, let postscript clip it to the page. */ if (!((xabs > clipx1*xunitspercm && oldx > clipx1*xunitspercm) || (xabs < clipx0*xunitspercm && oldx < clipx0*xunitspercm) || (yabs > clipy1*yunitspercm && oldy > clipy1*yunitspercm) || (yabs < clipy0*yunitspercm && oldy < clipy0*yunitspercm))) fprintf(plotfile, "%8.2f %8.2f %8.2f %8.2f l\n", oldx-(clipx0*xunitspercm), oldy-(clipy0*yunitspercm), xabs-(clipx0*xunitspercm), yabs-(clipy0*yunitspercm)); } oldx = xabs, oldy = yabs; break; case idraw: if (pen == pendown) { fprintf(plotfile, "Begin %%I Line\n"); fprintf(plotfile, "%%I b 65535\n"); fprintf(plotfile, "%d 0 0 [] 0 SetB\n", ((linewidth>=1.0) ? (int)linewidth : 1)); fprintf(plotfile, "%%I cfg Black\n"); fprintf(plotfile, "0 0 0 SetCFg\n"); fprintf(plotfile, "%%I cbg White\n"); fprintf(plotfile, "1 1 1 SetCBg\n"); fprintf(plotfile, "%%I p\n"); fprintf(plotfile, "0 SetP\n"); fprintf(plotfile, "%%I t\n"); fprintf(plotfile, "[ 0.01 0 0 0.01 216 285 ] concat\n"); fprintf(plotfile, "%%I\n"); fprintf(plotfile, "%ld %ld %ld %ld Line\n", (long)(100.0 * (oldxreal+0.5)), (long)(100.0 * (oldyreal+0.5)), (long)(100.0 * (xabs+0.5)), (long)(100.0 * (yabs+0.5))); fprintf(plotfile, "End\n\n"); if (linewidth >= 4.0) { fprintf(plotfile, "Begin %%I Elli\n"); fprintf(plotfile, "%%I b 65535\n"); fprintf(plotfile, "1 0 0 [] 0 SetB\n"); fprintf(plotfile, "%%I cfg Black\n"); fprintf(plotfile, "0 0 0 SetCFg\n"); fprintf(plotfile, "%%I cbg White\n"); fprintf(plotfile, "1 1 1 SetCBg\n"); fprintf(plotfile, "%%I p\n"); fprintf(plotfile, "0 SetP\n"); fprintf(plotfile, "%%I t\n"); fprintf(plotfile, "[ 0.01 0 0 0.01 216 285 ] concat\n"); fprintf(plotfile, "%%I\n"); fprintf(plotfile, "%ld %ld %ld %ld Elli\n", (long)(100.0 * (oldxreal+0.5)), (long)(100.0 * (oldyreal+0.5)), (long)(100.0 * (linewidth/2)) - 100, (long)(100.0 * (linewidth/2)) - 100); fprintf(plotfile, "End\n"); fprintf(plotfile, "Begin %%I Elli\n"); fprintf(plotfile, "%%I b 65535\n"); fprintf(plotfile, "1 0 0 [] 0 SetB\n"); fprintf(plotfile, "%%I cfg Black\n"); fprintf(plotfile, "0 0 0 SetCFg\n"); fprintf(plotfile, "%%I cbg White\n"); fprintf(plotfile, "1 1 1 SetCBg\n"); fprintf(plotfile, "%%I p\n"); fprintf(plotfile, "0 SetP\n"); fprintf(plotfile, "%%I t\n"); fprintf(plotfile, "[ 0.01 0 0 0.01 216 285 ] concat\n"); fprintf(plotfile, "%%I\n"); fprintf(plotfile, "%ld %ld %ld %ld Elli\n", (long)(100.0 * (xabs+0.5)), (long)(100.0 * (yabs+0.5)), (long)(100.0 * (linewidth/2)) - 100, (long)(100.0 * (linewidth/2)) - 100); fprintf(plotfile, "End\n"); } } oldxreal = xabs; oldyreal = yabs; break; case ibm: #ifdef TURBOC newx = floor(xabs + 0.5); newy = fabs(floor(yabs) - getmaxy()); if (pen == pendown) line((long)oldx,(long)oldy,(long)newx,(long)newy); oldx = newx; oldy = newy; #endif #ifdef QUICKC newx = floor(xabs + 0.5); newy = fabs(floor(yabs) - myscreen.numypixels); if (pen == pendown) _lineto((long)newx,(long)newy); else _moveto((long)newx,(long)newy); oldx = newx; oldy = newy; #endif break; case mac: #ifdef MAC if (pen == pendown){ LineTo((int)floor((double)xabs + 0.5), winheight - (long)floor((double)yabs + 0.5)+MAC_OFFSET);} else{ MoveTo((int)floor((double)xabs + 0.5), winheight - (long)floor((double)yabs + 0.5)+MAC_OFFSET);} #endif break; case houston: if (pen == pendown) fprintf(plotfile, "D "); else fprintf(plotfile, "U "); pout((long)((long)floor(xabs + 0.5))); putc(',', plotfile); pout((long)((long)floor(yabs + 0.5))); putc('\n', plotfile); break; case decregis: newx = floor(xabs + 0.5); newy = fabs(floor(yabs + 0.5) - 479); if (pen == pendown) { if (previewing) { printf("P["); pout((long)oldx); putchar(','); pout((long)oldy); printf("]V["); pout((long)newx); putchar(','); pout((long)newy); putchar(']'); } else { fprintf(plotfile, "P["); pout((long)oldx); putc(',', plotfile); pout((long)oldy); fprintf(plotfile, "]V["); pout((long)newx); putc(',', plotfile); pout((long)newy); putc(']', plotfile); } nmoves++; if (nmoves == 3) { nmoves = 0; if (previewing) putchar('\n'); else putc('\n', plotfile); } } oldx = newx; oldy = newy; break; case fig: newx = floor(xabs + 0.5); newy = floor(yabs + 0.5); if (pen == pendown) { fprintf(plotfile, "2 1 0 %5ld 0 0 0 0 0.000 0 0\n", (long)floor(linewidth + 0.5) + 1); fprintf(plotfile, "%5ld%5ld%5ld%5ld 9999 9999\n", (long)oldx, 606 - (long) oldy, (long)newx, 606 - (long)newy); fprintf(plotfile, "1 3 0 1 0 0 0 21 0.00 1 0.0 %5ld%5ld%5ld %5ld %5ld%5ld%5ld 349\n", (long)oldx, 606 - (long) oldy, (long)floor(linewidth / 2 + 0.5), (long)floor(linewidth / 2 + 0.5), (long)oldx, 606 - (long)oldy, 606 - (long)oldy); fprintf(plotfile, "1 3 0 1 0 0 0 21 0.00 1 0.0 %5ld%5ld%5ld %5ld %5ld%5ld%5ld 349\n", (long)newx, 606 - (long)newy, (long)floor(linewidth / 2 + 0.5), (long)floor(linewidth / 2 + 0.5), (long)newx, 606 - (long)newy, 606 - (long)newy); } oldx = newx; oldy = newy; break; case vrml: newx = xabs; newy = yabs; /* if this is the root node, use the coordinates to define the view point */ if (firstNodeP-- == 1) { fprintf(plotfile, "#VRML V2.0 utf8\n"); fprintf(plotfile, " NavigationInfo {\n"); fprintf(plotfile, " headlight FALSE\n"); fprintf(plotfile, " }\n"); fprintf(plotfile, " Viewpoint\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " position %f %f %f\n", xsize/2, ysize/2, ysize*1.2); fprintf(plotfile, " description \"Entry View\"\n"); fprintf(plotfile, " }\n"); for (i=0; i<3; i++) { fprintf(plotfile, " PointLight {\n"); fprintf(plotfile, " on TRUE\n"); fprintf(plotfile, " intensity %f\n", vrmllights[i].intensity); fprintf(plotfile, " ambientIntensity 0.0\n"); fprintf(plotfile, " color 1.0 1.0 1.0\n"); fprintf(plotfile, " location %f %f %f\n", vrmllights[i].x, vrmllights[i].y, vrmllights[i].z); fprintf(plotfile, " attenuation 0.0 0.0 0.0\n"); fprintf(plotfile, " radius 200.0\n"); fprintf(plotfile, " }\n"); } fprintf(plotfile, " Background\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " skyAngle [1.75]\n"); fprintf(plotfile, " skyColor [%f %f %f, %f %f %f]\n", colors[vrmlskycolornear-1].red, colors[vrmlskycolornear-1].green, colors[vrmlskycolornear-1].blue, colors[vrmlskycolorfar-1].red, colors[vrmlskycolorfar-1].green, colors[vrmlskycolorfar-1].blue); fprintf(plotfile, " groundAngle[0 1.57 3.14]\n"); fprintf(plotfile, " groundColor [0.9 0.9 0.9, 0.7 0.7 0.7, %f %f %f]\n", colors[vrmlgroundcolorfar-1].red, colors[vrmlgroundcolorfar-1].green, colors[vrmlgroundcolorfar-1].blue); fprintf(plotfile, " }\n"); } if (pen == penup) {/* pen down = beginning of a new path */ } else if (pen == pendown) {/* pen up = continue, line may not end yet. */ if (linewidth != treeline) { if (vrmllinewidth > labelline) { vrmllinewidth = labelline; vrmlplotcolor = vrmlnamecolor; } } distance = sqrt((newy - oldy)*(newy - oldy) + (newx - oldx)*(newx - oldx)); angle = computeAngle(oldx, oldy, newx, newy); if (distance >= episilon) { fprintf(plotfile, " DEF Line%ld Transform\n", lineCount++); fprintf(plotfile, " {\n"); fprintf(plotfile, " rotation 0 0 1 %f\n", angle); fprintf(plotfile, " translation %f %f 0\n", oldx, oldy); fprintf(plotfile, " children\n"); fprintf(plotfile, " [\n"); fprintf(plotfile, " Shape\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " appearance Appearance\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " material Material { diffuseColor %f %f %f}\n", colors[vrmlplotcolor-1].red, colors[vrmlplotcolor-1].green, colors[vrmlplotcolor-1].blue); fprintf(plotfile, " }\n"); fprintf(plotfile, " geometry Sphere\n"); fprintf(plotfile, " {\n"); /* vrmllinewidth *= 0.99999; */ fprintf(plotfile, " radius %f\n", vrmllinewidth); fprintf(plotfile, " }\n"); fprintf(plotfile, " }\n"); fprintf(plotfile, " Transform\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " rotation 0 0 1 -1.570796327\n" ); fprintf(plotfile, " translation %f 0 0\n", distance/2); fprintf(plotfile, " children\n"); fprintf(plotfile, " [\n"); fprintf(plotfile, " Shape\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " appearance Appearance\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " material Material { diffuseColor %f %f %f}\n", colors[vrmlplotcolor-1].red, colors[vrmlplotcolor-1].green, colors[vrmlplotcolor-1].blue ); fprintf(plotfile, " }\n"); fprintf(plotfile, " geometry Cylinder\n"); fprintf(plotfile, " {\n"); /* line radius affects end sphere's size */ /* vrmllinewidth *= 0.99999; */ fprintf(plotfile, " radius %f\n", vrmllinewidth); fprintf(plotfile, " height %f\n", distance); fprintf(plotfile, " }\n"); fprintf(plotfile, " }\n"); fprintf(plotfile, " ]\n"); fprintf(plotfile, " }\n"); fprintf(plotfile, " Transform\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " translation %f 0 0\n", distance); fprintf(plotfile, " children\n"); fprintf(plotfile, " [\n"); fprintf(plotfile, " Shape\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " appearance Appearance\n"); fprintf(plotfile, " {\n"); fprintf(plotfile, " material Material { diffuseColor %f %f %f}\n", colors[vrmlplotcolor-1].red, colors[vrmlplotcolor-1].green, colors[vrmlplotcolor-1].blue ); fprintf(plotfile, " }\n"); fprintf(plotfile, " geometry Sphere\n"); fprintf(plotfile, " {\n"); /* radius affects line size */ /* vrmllinewidth *= 0.99999; */ fprintf(plotfile, " radius %f\n", vrmllinewidth); fprintf(plotfile, " }\n"); fprintf(plotfile, " }\n"); fprintf(plotfile, " ]\n"); fprintf(plotfile, " }\n"); fprintf(plotfile, " ]\n"); fprintf(plotfile, " }\n"); } } else { fprintf(stderr, "ERROR: Programming error in plot()."); } oldx = newx; oldy = newy; break; case epson: case oki: case citoh: case toshiba: case pcx: case pcl: case bmp: case xbm: case gif: case other: break; /* code for a pen move on a new plotter goes here */ } return; } if (pen == pendown) { ixabs = (long)floor(xabs + 0.5); iyabs = (long)floor(yabs + 0.5); ixnow = (long)floor(xnow + 0.5); iynow = (long)floor(ynow + 0.5); if (ixnow > ixabs) { temp = ixnow; ixnow = ixabs; ixabs = temp; temp = iynow; iynow = iyabs; iyabs = temp; } dx = ixabs - ixnow; dy = iyabs - iynow; /* if (dx + fabs(dy) <= 0.0) c = 0.0; else c = 0.5 * linewidth / sqrt(dx * dx + dy * dy); */ cdx = (long)floor(linewidth + 0.5); cdy = (long)floor(linewidth + 0.5); if ((iyabs + cdx >= strpbottom || iynow + cdx >= strpbottom) && (iyabs - cdx <= strptop || iynow - cdx <= strptop)) { drawfatline(ixnow,iynow,ixabs,iyabs,(long)floor(linewidth+0.5)); } } xnow = xabs; ynow = yabs; /* Bitmap Code to plot (xnow,ynow) to (xabs,yabs) */ } /* plot */ void idellipse(double x, double y) { fprintf(plotfile, "Begin %%I Elli\n"); fprintf(plotfile, "%%I b 65535\n"); fprintf(plotfile, "1 0 0 [] 0 SetB\n"); fprintf(plotfile, "%%I cfg Black\n"); fprintf(plotfile, "0 0 0 SetCFg\n"); fprintf(plotfile, "%%I cbg White\n"); fprintf(plotfile, "1 1 1 SetCBg\n"); fprintf(plotfile, "%%I p\n"); fprintf(plotfile, "0 SetP\n"); fprintf(plotfile, "%%I t\n"); fprintf(plotfile, "[ 0.01 0 0 0.01 216 285 ] concat\n"); fprintf(plotfile, "%%I\n"); fprintf(plotfile, "%ld %ld %ld %ld Elli\n", (long)(100.0 * (x+0.5)),(long)(100.0 * (y+0.5)), (long)(100.0 * (linewidth/2)) - 100, (long)(100.0 * (linewidth/2)) - 100); fprintf(plotfile, "End\n"); } /* idellipse */ void splyne(double x1, double y1, double x2, double y2, boolean sense, long segs, boolean head, boolean tail) { /* sense is true if line departing from x1,y1 is tangential to x, false if tangential to y */ long i,fromx,fromy,tox,toy; double f, g, h, x3, y3; long ptop, pleft, pbottom, pright, startangle, arcangle; double dtheta; double sintheta,costheta,sindtheta,cosdtheta,newsintheta,newcostheta; double rx,ry; /* axes of ellipse */ double ox,oy; /* center of ellipse */ double prevx,prevy; long pictint; x1 = x1 - (clipx0 * xunitspercm); x2 = x2 - (clipx0 * xunitspercm); y1 = y1 - (clipy0 * yunitspercm); y2 = y2 - (clipy0 * yunitspercm); /* adjust by clipping region */ switch (plotter) { case lw: fprintf(plotfile,"stroke %8.2f %8.2f moveto\n",x1,y1); if (sense) fprintf(plotfile,"%8.2f %8.2f %8.2f %8.2f %8.2f %8.2f curveto\n", (x1+(0.55*(x2-x1))), y1, x2, (y1+(0.45*(y2-y1))), x2, y2); else fprintf(plotfile,"%8.2f %8.2f %8.2f %8.2f %8.2f %8.2f curveto\n", x1, (y1+(0.55*(y2-y1))), (x1+(0.45*(x2-x1))), y2, x2, y2); break; case pict: { double dtop, dleft, dbottom, dright,temp; if (x1 == x2 || y1 == y2) { plot(penup, x1, y1); plot(pendown, x2, y2); } else { if (x2 > x1 && y2 < y1){ swap_m(x2,x1); swap_m(y2,y1); sense = !sense; } y1 = (ysize * yunitspercm) - y1; y2 = (ysize * yunitspercm) - y2; if (sense) { if (x2 > x1) { dtop = y2 - y1 + y2; dleft = x1 - x2 + x1; dbottom = y1; dright = x2; startangle = 90; } else { dtop = y2 - y1 + y2; dleft = x2; dbottom = y1; dright = x1 + (x1 - x2); startangle = 180; } } else { if (x2 > x1) { dtop = y1 + (y1 - y2); dleft = x1; dbottom = y2; dright = x2 + (x2 - x1); startangle = 270; } else { dtop = y2; dleft = x1; dbottom = y1 + y1 - y2;; dright = x2 + (x2 - x1); startangle = 0; } } arcangle = 90; if (dbottom < dtop) {swap_m(dbottom,dtop);} if (dleft> dright) {swap_m(dleft,dright);} ptop = (long)floor((dtop - 0) + 0.5); pleft = (long)floor(dleft + 0.5); pbottom = (long)floor(dbottom + 0.5) + (long)floor(linewidth + 0.5); pright = (long)floor(dright + 0.5) + (long)floor(linewidth + 0.5); if (!sense) pbottom++; else if (x2 < x1) pright++; else pleft--; pictint = 1; fprintf(plotfile,"\140%c%c%c%c%c%c%c%c%c%c%c%c", (Char)(ptop / 256), (Char)(ptop % 256), (Char)(pleft / 256), (Char)(pleft % 256), (Char)(pbottom / 256), (Char)(pbottom % 256), (Char)(pright / 256), (Char)(pright % 256), (Char)(startangle / 256), (Char)(startangle % 256), (Char)(arcangle / 256), (Char)(arcangle % 256)); } } break; case fig: fromx = (long)floor(x1 + 0.5); fromy = (long)floor(y1 + 0.5); tox = (long)floor(x2 + 0.5); toy = (long)floor(y2 + 0.5); fprintf(plotfile, "3 0 0 %5ld 0 0 0 0 0.000 0 0\n", (long)floor(linewidth + 0.5) + 1); if (sense) fprintf(plotfile, "%5ld%5ld%5ld%5ld%5ld%5ld%5ld%5ld 9999 9999\n", fromx, 606 - fromy, (long)floor((x1+(0.55*(x2-x1))) + 0.5), 606 - fromy, tox, 606 - (long)floor((y1+(0.45*(y2-y1))) + 0.5), tox, 606 - toy); else fprintf(plotfile, "%5ld%5ld%5ld%5ld%5ld%5ld%5ld%5ld 9999 9999\n", fromx, 606 - fromy, fromx, 606 - (long)floor((y1+(0.55*(y2-y1))) + 0.5), (long)floor((x1+(0.45*(x2-x1))) + 0.5), 606 - toy, tox, 606 - toy); fprintf(plotfile, "1 3 0 1 0 0 0 21 0.00 1 0.0 "); fprintf(plotfile, "%5ld%5ld%5ld %5ld %5ld%5ld%5ld 349\n", fromx, 606 - fromy, (long)floor(linewidth / 2 + 0.5), (long)floor(linewidth / 2 + 0.5), fromx, 606 - fromy, 606 - fromy); fprintf(plotfile, "1 3 0 1 0 0 0 21 0.00 1 0.0 "); fprintf(plotfile, "%5ld%5ld%5ld %5ld %5ld%5ld%5ld 349\n", tox, 606 - toy, (long)floor(linewidth / 2 + 0.5), (long)floor(linewidth / 2 + 0.5), tox, 606 - toy, 606 - toy); break; case idraw: if (head){ fprintf(plotfile,"Begin %%I Pict\n%%I b u\n%%I cfg u\n%%I cbg u\n"); fprintf(plotfile,"%%I f u\n%%I p u \n%%I t u\n\n"); idellipse(x1,y1); fprintf(plotfile, "Begin %%I BSpl\n"); fprintf(plotfile, "%%I b 65535\n"); fprintf(plotfile, "%ld 0 0 [] 0 SetB\n", ((linewidth>=1.0) ? (long)linewidth : 1)); fprintf(plotfile, "%%I cfg Black\n"); fprintf(plotfile, "0 0 0 SetCFg\n"); fprintf(plotfile, "%%I cbg White\n"); fprintf(plotfile, "1 1 1 SetCBg\n"); fprintf(plotfile, "none SetP %%I p n\n"); fprintf(plotfile, "%%I t\n"); fprintf(plotfile, "[ 0.01 0 0 0.01 216 285 ] concat\n"); if (tail) fprintf(plotfile,"%%I %ld\n",segs+1); else fprintf(plotfile,"%%I %ld\n",(segs*2)+1); fprintf(plotfile, "%ld %ld\n", (long)(100.0 * (x1+0.5)), (long)(100.0 * (y1+0.5))); } rx = (fabs(x2 - x1)); ry = (fabs(y2 - y1)); if (!sense){ if (x2 < x1) sintheta = 0.0, costheta = 1.0, dtheta = 90.0 / ((double)segs), ox = x2, oy = y1; else sintheta = 0.0, costheta = -1.0, dtheta = -90.0 / ((double)segs), ox = x2, oy = y1; } else{ if (x2 < x1) sintheta = -1.0, costheta = 0.0, dtheta = -90.0 / ((double)segs), ox = x1, oy = y2; else sintheta = -1.0, costheta = 0.0, dtheta = 90.0 / ((double)segs), ox = x1, oy = y2; } x3 = x1; y3 = y1; sindtheta = sin(dtheta * (3.1415926535897932384626433 / 180.0)); cosdtheta = cos(dtheta * (3.1415926535897932384626433 / 180.0)); for (i = 1; i <= segs; i++) { prevx = x3; prevy = y3; newsintheta = (sintheta * cosdtheta) + (costheta * sindtheta); newcostheta = (costheta * cosdtheta) - (sintheta * sindtheta); sintheta = newsintheta; costheta = newcostheta; x3 = ox + (costheta * rx); y3 = oy + (sintheta * ry); /* adjust spline for better aesthetics: */ if (i == 1){ if (sense) y3 = (y3 + prevy) / 2.0; else x3 = (x3 + prevx) / 2.0;} else if (i == segs - 1){ if (sense) x3 = (x3 + x2) / 2.0; else y3 = (y2 + y3) / 2.0; } fprintf(plotfile, "%ld %ld\n", (long)(100.0 * (x3+0.5)), (long)(100.0 * (y3+0.5))); } if (head && tail) fprintf(plotfile," BSpl\nEnd\n\n"); /* changed for gcc */ /*fprintf(plotfile,"%ld BSpl\nEnd\n\n"); This is the original */ else if (tail) fprintf(plotfile," BSpl \nEnd\n\n"); /* changed for gcc */ /*fprintf(plotfile,"%ld BSpl\nEnd\n\n"); This is the original */ if (tail) idellipse(x2,y2), fprintf(plotfile,"\nEnd %%I eop\n\n"); break; case hp: plot(penup,x1,y1); if (sense){ if (x2 > x1) fprintf(plotfile,"PD;AA%ld,%ld,90,1;\n",(long)x1,(long)y2); else fprintf(plotfile,"PD;AA%ld,%ld,-90,1;\n",(long)x1,(long)y2); } else { if (x2 > x1) fprintf(plotfile,"PD;AA%ld,%ld,-90,1;\n",(long)x2,(long)y1); else fprintf(plotfile,"PD;AA%ld,%ld,90,1;\n",(long)x2,(long)y1); } plot(penup,x2,y2); fprintf(plotfile,"PD;PU;"); /* else fprintf(plotfile,"PD;AA%ld,%ld,90,1;\n",(long)x2,(int)y1); */ plot(penup,x2,y2); break; default: for (i = 1; i <= 2*segs; i++) { f = (double)i / (2*segs); g = (double)i / (2*segs); h = 1.0 - sqrt(1.0 - g * g); if (sense) { x3 = x1 * (1.0 - f) + x2 * f; y3 = y1 + (y2 - y1) * h; } else { x3 = x1 + (x2 - x1) * h; y3 = y1 * (1.0 - f) + y2 * f; } plot(pendown, x3, y3); } break; } } /* splyne */ void swoopspline(double x1, double y1, double x2, double y2, double x3, double y3, boolean sense, long segs) { splyne(x1,y1,x2,y2,sense,segs/4,true,false); splyne(x2,y2,x3,y3,(boolean)(!sense),segs/4,false,true); } /* swoopspline */ void curvespline(double x1, double y1, double x2, double y2, boolean sense, long segs) { splyne(x1,y1,x2,y2,sense,segs/2,true,true); } /* curvespline */ /*******************************************/ static void putshort(FILE *fp, int i) { int c, c1; c = ((unsigned int ) i) & 0xff; c1 = (((unsigned int) i)>>8) & 0xff; putc(c, fp); putc(c1,fp); } /* putshort */ /*******************************************/ static void putint(FILE *fp, int i) { int c, c1, c2, c3; c = ((unsigned int ) i) & 0xff; c1 = (((unsigned int) i)>>8) & 0xff; c2 = (((unsigned int) i)>>16) & 0xff; c3 = (((unsigned int) i)>>24) & 0xff; putc(c, fp); putc(c1,fp); putc(c2,fp); putc(c3,fp); } /* ptint */ void write_bmp_header (FILE *plotfile,int width,int height) { /* * write a 1-bit image header * */ byte r1[2],g1[2],b1[2] ; int i, bperlin; r1[0] = (long) 255; /* Black */ g1[0] = (long) 255; b1[0] = (long) 255; r1[1] = 0; g1[1] = 0; b1[1] = 0; bperlin = ((width + 31) / 32) * 4; /* # bytes written per line */ putc('B', plotfile); putc('M', plotfile); /* BMP file magic number */ /* compute filesize and write it */ i = 14 + /* size of bitmap file header */ 40 + /* size of bitmap info header */ 8 + /* size of colormap */ bperlin * height; /* size of image data */ putint(plotfile, i); putshort(plotfile, 0); /* reserved1 */ putshort(plotfile, 0); /* reserved2 */ putint(plotfile, 14 + 40 + 8); /* offset from BOfile to BObitmap */ putint(plotfile, 40); /* biSize: size of bitmap info header */ putint(plotfile, width); /* Width */ putint(plotfile, height); /* Height */ putshort(plotfile, 1); /* Planes: must be '1' */ putshort(plotfile, 1); /* BitCount: 1 */ putint(plotfile, 0); /* Compression: BI_RGB = 0 */ putint(plotfile, bperlin*height);/* SizeImage: size of raw image data */ putint(plotfile, 75 * 39); /* XPelsPerMeter: (75dpi * 39 in. per meter) */ putint(plotfile, 75 * 39); /* YPelsPerMeter: (75dpi * 39 in. per meter) */ putint(plotfile, 2); /* ClrUsed: # of colors used in cmap */ putint(plotfile, 2); /* ClrImportant: same as above */ /* write out the colormap */ for (i = 0 ; i < 2 ; i++) { putc(b1[i],plotfile); putc(g1[i],plotfile); putc(r1[i],plotfile); putc(0, plotfile); } } /* write_bmp_header */ void reverse_bits (byte *full_pic, int location) { /* Reverse all the bits at location */ int i, loop_end ; byte orig, reversed; /* initialize...*/ orig = full_pic[location] ; reversed = (byte) '\0'; loop_end = sizeof (byte) * 8 ; if (orig == (byte) '\0') { /* No need to do anything for 0 bytes, */ return ; } else { for (i = 0 ; i < loop_end ; i++) { reversed = (reversed << 1) | (orig & 1) ; orig >>= 1 ; } full_pic[location] = reversed ; } } /* reverse_bits */ void turn_rows (byte *full_pic, int padded_width, int height) { int i, j; int midpoint = padded_width / 2 ; byte temp ; /* For the swap call */ for (j = 0 ; j < height ; j++) { for (i = 0 ; i < midpoint ; i++) { reverse_bits (full_pic, (j * padded_width) + i); reverse_bits (full_pic, (j * padded_width) + (padded_width - i)); swap_m (full_pic[(j * padded_width) + i], full_pic[(j * padded_width) + (padded_width - i)]) ; } /* Then do the midpoint */ reverse_bits (full_pic, (j * padded_width) + midpoint); } } /* turn_rows */ void translate_stripe_to_bmp(striptype *stripe, byte *full_pic, int increment, int width, int div, int *total_bytes) { int padded_width, i, j, offset, pad_size, total_stripes, last_stripe_offset, truncated_stripe_height ; if (div == 0) /* For some reason this is called once without valid data */ return ; else if (div == DEFAULT_STRIPE_HEIGHT) { /* For a non-last-stripe, figure out if the last stripe is going to be shorter than the others, to know how far from the bottom things should be offset. */ truncated_stripe_height = (int) ysize % DEFAULT_STRIPE_HEIGHT; if (truncated_stripe_height != 0) /* The last stripe isn't default height */ last_stripe_offset = DEFAULT_STRIPE_HEIGHT - ((int) ysize % DEFAULT_STRIPE_HEIGHT) ; else /* Stripes are all default height */ last_stripe_offset = 0 ; } else { /* For the last stripe, */ last_stripe_offset = 0 ; } /* just for debugging... */ total_stripes = (int) ceil (ysize / (double) DEFAULT_STRIPE_HEIGHT); /* width, padded to be a multiple of 32 bits, or 4 bytes */ padded_width = ((width + 3)/4) * 4; pad_size = padded_width - width; /* Include pad_size here, as it'll be turned horizontally later */ offset = ((total_stripes - increment) * (padded_width * DEFAULT_STRIPE_HEIGHT)) - (padded_width * last_stripe_offset) + pad_size ; for (j = div; j >= 0; j--) { for (i = 0; i < width; i++) { full_pic[offset + (((div-j) * padded_width) + (width-i))] = (byte) (*stripe)[j][i]; (*total_bytes)++ ; } /* Take into account the padding */ (*total_bytes) += pad_size ; } } /* translate_stripe_to_bmp */ void write_full_pic(byte *full_pic, int total_bytes) { int i ; for (i = 0; i < total_bytes; i++) { putc (full_pic[i], plotfile); } } /* write_full_pic */ void makebox_no_interaction(char *fn, double *xo, double *yo, double *scale, long ntips) /* fn--fontname xo,yo--x and y offsets */ { /* draw the box on screen which represents plotting area. */ long xpag,ypag,i,j; oldpenchange = penchange; oldxsize = xsize; oldysize = ysize; oldxunitspercm = xunitspercm; oldyunitspercm = yunitspercm; oldxcorner = xcorner; oldycorner = ycorner; oldplotter = plotter; plotrparms(ntips); xcorner += 0.05 * xsize; ycorner += 0.05 * ysize; xsize *= 0.9; ysize *= 0.9; (*scale) = ysize / oldysize; if (xsize / oldxsize < (*scale)) (*scale) = xsize / oldxsize; (*xo) = (xcorner + (xsize - oldxsize * (*scale)) / 2.0) / (*scale); (*yo) = (ycorner + (ysize - oldysize * (*scale)) / 2.0) / (*scale); xscale = (*scale) * xunitspercm; yscale = (*scale) * yunitspercm; initplotter(ntips,fn); plot(penup, xscale * (*xo), yscale * (*yo)); plot(pendown, xscale * (*xo), yscale * ((*yo) + oldysize)); plot(pendown, xscale * ((*xo) + oldxsize), yscale * ((*yo) + oldysize)); plot(pendown, xscale * ((*xo) + oldxsize), yscale * (*yo)); plot(pendown, xscale * (*xo), yscale * (*yo)); /* we've done the extent, now draw the dividing lines: */ xpag = (int)((pagex-hpmargin-0.01)/(paperx - hpmargin))+1; ypag = (int)((pagey-vpmargin-0.01)/(papery - vpmargin))+1; for (i=0;i\n"); fprintf(plotfile, "#declare C_White_trans = color rgbt<1, 1, 1, 0.7>\n"); fprintf(plotfile, "#declare C_Red = color rgb<1, 0, 0>\n"); fprintf(plotfile, "#declare C_Yellow = color rgb<1, 1, 0>\n"); fprintf(plotfile, "#declare C_Green = color rgb<0, 1, 0>\n"); fprintf(plotfile, "#declare C_Black = color rgb<0, 0, 0>\n"); fprintf(plotfile, "#declare C_Blue = color rgb<0, 0, 1>\n"); fprintf(plotfile, "\n// Declare the textures\n\n"); fprintf(plotfile, "#declare T_White = texture { pigment { C_White }}\n"); fprintf(plotfile, "#declare T_White_trans = texture { pigment { C_White_trans }}\n"); fprintf(plotfile, "#declare T_Red = texture { pigment { C_Red }\n"); fprintf(plotfile, "\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "#declare T_Red_trans = texture { pigment { C_Red filter 0.7 }\n"); fprintf(plotfile, "\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "#declare T_Green = texture { pigment { C_Green }\n"); fprintf(plotfile, "\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "#declare T_Green_trans = texture { \n"); fprintf(plotfile, "\tpigment { C_Green filter 0.7 }\n"); fprintf(plotfile, "\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "#declare T_Blue = texture { pigment { C_Blue }\n"); fprintf(plotfile, "\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "#background { color rgb<1, 1, 1> }\n"); } /* void_func */ /* added for vrml - danieyek 981111 */ /* Returned angle in radian */ /* A related function is "double angleBetVectors(Xu, Yu, Xv, Yv)" in drawtree.c */ double computeAngle(double oldx, double oldy, double newx, double newy) { double angle; if ((newx-oldx) == 0 ) { /* pi/2 or -pi/2! */ if (newy > oldy) angle = pie/2; else if (newy < oldy) angle = -pie/2; else { /* added - danieyek 990130 */ /* newx = oldx; newy = oldy; one point on top of the other! If new and old correspond to 2 points, changes are that the 2 coordinates are not identical under double precision value. */ fprintf(stderr, "ERROR: Angle can't be computed, 2 points on top of each other in computeAngle()!\n"); angle = 0; } } else { angle = atan( (newy-oldy)/(newx-oldx) ); if (newy >= oldy && newx >= oldx) { /* First quardrant - no adjustment */ } else if (newx <= oldx) { /* Second (angle = negative) and third (angle = positive) quardrant */ angle = pie + angle; } else if (newy <= oldy && newx >= oldx) { /* Fourth quardrant; "angle" is negative! */ angle = 2*pie + angle; } else { /* Should never get here. */ fprintf(stderr, "ERROR: Programming error in computeAngle()!\n"); } } return angle; } /* computeAngle */ #ifdef WIN32 #include /********************* Prototypes ***********************/ LRESULT WINAPI MainWndProc( HWND, UINT, WPARAM, LPARAM ); LRESULT WINAPI AboutDlgProc( HWND, UINT, WPARAM, LPARAM ); /******************* Global Variables ********************/ extern void winplotpreviewcore(); HANDLE ghInstance; HPEN hPenTree, hPenLabel, hPenBackground, hPenOld; /********************************************************************\ * Comments: Register window class, create and display the main * * window, and enter message loop. * \********************************************************************/ winplotpreview() { WNDCLASS wc; MSG msg; HWND hWnd; int screenXres, screenYres, winXres, winYres; winaction = quitnow; wc.lpszClassName = "GenericAppClass"; wc.lpfnWndProc = MainWndProc; wc.style = CS_OWNDC | CS_VREDRAW | CS_HREDRAW; wc.hInstance = NULL; wc.hIcon = LoadIcon( NULL, IDI_APPLICATION ); wc.hCursor = LoadCursor( NULL, IDC_ARROW ); wc.hbrBackground = (HBRUSH)( COLOR_WINDOW+1 ); wc.lpszMenuName = "GenericAppMenu"; wc.cbClsExtra = 0; wc.cbWndExtra = 0; RegisterClass( &wc ); ghInstance = NULL; screenXres = GetSystemMetrics(SM_CXSCREEN); winXres = (int)((float)(screenXres)*XWINPERCENT); screenYres = GetSystemMetrics(SM_CYSCREEN); winYres = (int)((float)(screenYres)*YWINPERCENT); hWnd = CreateWindow( "GenericAppClass", "Tree Preview", WS_OVERLAPPEDWINDOW, 0, 0, winXres, winYres, NULL, NULL, NULL, NULL ); ShowWindow( hWnd, SW_SHOWNORMAL ); while( GetMessage( &msg, NULL, 0, 0 ) ) { TranslateMessage( &msg ); DispatchMessage( &msg ); } return msg.wParam; } /********************* * * * * Comments: The following messages are processed * * * * WM_PAINT * * WM_COMMAND * * WM_DESTROY * * * * * \********************************************************************/ LRESULT CALLBACK MainWndProc( HWND hWnd, UINT msg, WPARAM wParam, LPARAM lParam ) { PAINTSTRUCT ps; LOGBRUSH lb; HBRUSH bgbrush; RECT lpRect; int windowwidth, windowheight; switch( msg ) { /**************************************************************\ * WM_ACTIVATE: * \**************************************************************/ case WM_ACTIVATE: if (wParam != WA_INACTIVE) BringWindowToTop(hWnd); break; /**************************************************************\ * WM_PAINT: * \**************************************************************/ case WM_PAINT: hdc = BeginPaint( hWnd, &ps ); /* Initialize the pen's brush. */ lb.lbStyle = BS_SOLID; lb.lbColor = RGB(0,0,0); lb.lbHatch = 0; /* 2 pixel pen for the tree */ hPenTree = ExtCreatePen(PS_GEOMETRIC | PS_SOLID | PS_ENDCAP_ROUND, (DWORD)2, &lb, 0, NULL); /* 1 pixel pen for labels */ hPenLabel = ExtCreatePen(PS_GEOMETRIC | PS_SOLID | PS_ENDCAP_ROUND, (DWORD)1, &lb, 0, NULL); /* light blue pen for outline of background rectangle */ lb.lbColor = RGB(204,255,255); hPenBackground = ExtCreatePen(PS_GEOMETRIC | PS_SOLID, (DWORD)1, &lb, 0, NULL); /* light blue brush for interior of background rectangle */ bgbrush = CreateSolidBrush(RGB(204,255,255)); /* GetClientRect returns the size of that part of the window that is actually ours to draw in. */ GetClientRect(hWnd, &lpRect); windowwidth = lpRect.right; windowheight = lpRect.bottom; /* select background pen and brush */ SelectObject(hdc, hPenBackground); SelectObject(hdc, bgbrush); /* fill background */ Rectangle(hdc, 0, 0, windowwidth, windowheight); /* select tree pen */ hPenOld = SelectObject(hdc, hPenTree); /* winplotpreviewcore calls makebox, plottree, plotlabels and finishplotter */ winplotpreviewcore(windowwidth, windowheight); /* delete pens to recover memory */ DeleteObject(hPenTree); DeleteObject(hPenLabel); DeleteObject(hPenBackground); DeleteObject(bgbrush); EndPaint( hWnd, &ps ); break; /**************************************************************\ * WM_COMMAND: * \**************************************************************/ case WM_COMMAND: switch( wParam ) { case IDM_ABOUT: DialogBox( ghInstance, "AboutDlg", hWnd, (DLGPROC) AboutDlgProc ); break; case IDM_PLOT: // "Plot" menu item winaction = plotnow; DestroyWindow(hWnd); break; case IDM_CHANGE: // "Change Parameters" menu item winaction = changeparms; DestroyWindow(hWnd); break; case IDM_QUIT: // "Quit" menu item winaction = quitnow; DestroyWindow(hWnd); break; } break; /**************************************************************\ * WM_DESTROY: PostQuitMessage() is called * \**************************************************************/ case WM_DESTROY: PostQuitMessage( 0 ); break; /**************************************************************\ * Let the default window proc handle all other messages * \**************************************************************/ default: return( DefWindowProc( hWnd, msg, wParam, lParam )); } return 0; } /********************************************************************\ * Function: LRESULT CALLBACK AboutDlgProc(HWND, UINT, WPARAM, LPARAM)* * * * Purpose: Processes "About" Dialog Box Messages * * * * Comments: The About dialog box is displayed when the user clicks * * About from the Help menu. * * * \********************************************************************/ LRESULT CALLBACK AboutDlgProc( HWND hDlg, UINT uMsg, WPARAM wParam, LPARAM lParam ) { switch( uMsg ) { case WM_INITDIALOG: return TRUE; case WM_COMMAND: switch( wParam ) { case IDOK: EndDialog( hDlg, TRUE ); return TRUE; } break; } return FALSE; } #endif ./arbsrc_9167/GDE/PHYLIP/draw.c0000644012664100000130000030576211213220011015640 0ustar arb_buildcoders#ifdef WIN32 #include #endif #include "draw.h" #ifdef QUICKC struct videoconfig myscreen; void setupgraphics(); #endif #ifdef WIN32 extern HDC hdc; extern HPEN hPenTree; extern HPEN hPenLabel; extern void winplotpreview(); struct winpreviewparms_t { char * fn; double *xo, *yo, *scale; long nt; node *root; }; struct winpreviewparms_t winpreviewparms; #endif #ifdef X struct { char* fn; double *xo, *yo, *scale; long nt; node *root; } xpreviewparms; Atom wm_delete_window; Atom wm_delete_window2; Widget dialog; Widget shell=NULL; Window mainwin=0; void init_x(void); void redraw(Widget w,XtPointer client, XExposeEvent *ev); void plot_callback(Widget w,XtPointer client, XtPointer call); void change_callback(Widget w,XtPointer client, XtPointer call); void about_callback(Widget w,XtPointer client, XtPointer call); void quit_callback(Widget w,XtPointer client, XtPointer call); void close_x(void); void do_dialog(void); void delete_callback(Widget w, XEvent* event, String *params, int *num_params); void dismiss_dialog(void); #endif long winheight; long winwidth; extern winactiontype winaction; colortype colors[7] = { {"White ",1.0,1.0,1.0}, {"Red ",1.0,0.3,0.3}, {"Orange ",1.0,0.6,0.6}, {"Yellow ",1.0,0.9,0.4}, {"Green ",0.3,0.8,0.3}, {"Blue ",0.5,0.5,1.0}, {"Violet ",0.6,0.4,0.8}, }; vrmllighttype vrmllights[3] = { {1.0, -100.0, 100.0, 100.0}, {0.5, 100.0, -100.0, -100.0}, {0.3, 0.0, -100.0, 100.0}, }; long vrmltreecolor, vrmlnamecolor, vrmlskycolornear, vrmlskycolorfar, vrmlgroundcolornear, vrmlgroundcolorfar, vrmlplotcolor; char fontname[LARGE_BUF_LENGTH]; /* format of matrix: capheight, length[32],length[33],..length[256]*/ byte *full_pic ; int increment = 0 ; int total_bytes = 0 ; short unknown_metric[256]; static short helvetica_metric[] = { 718, 278,278,355,556,556,889,667,222,333,333,389,584,278,333,278,278,556,556,556, 556,556,556,556,556,556,556,278,278,584,584,584,556,1015,667,667,722,722,667, 611,778,722,278,500,667,556,833,722,778,667,778,722,667,611,722,667,944,667, 667,611,278,278,278,469,556,222,556,556,500,556,556,278,556,556,222,222,500, 222,833,556,556,556,556,333,500,278,556,500,722,500,500,500,334,260,334,584, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,556, 556,167,556,556,556,556,191,333,556,333,333,500,500,0,556,556,556,278,0,537, 350,222,333,333,556,1000,1000,0,611,0,333,333,333,333,333,333,333,333,0,333, 333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1000,0,370,0,0,0,0,556, 778,1000,365,0,0,0,0,0,889,0,0,0,278,0,0,222,611,944,611,0,0,0}; static short helveticabold_metric[] = {718, /* height */ 278,333,474,556,556,889,722,278,333,333,389,584,278,333,278,278,556,556,556, 556,556,556,556,556,556,556,333,333,584,584,584,611,975,722,722,722,722,667, 611,778,722,278,556,722,611,833,722,778,667,778,722,667,611,722,667,944,667, 667,611,333,278,333,584,556,278,556,611,556,611,556,333,611,611,278,278,556, 278,889,611,611,611,611,389,556,333,611,556,778,556,556,500,389,280,389,584, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,556, 556,167,556,556,556,556,238,500,556,333,333,611,611,0,556,556,556,278,0,556, 350,278,500,500,556,1000,1000,0,611,0,333,333,333,333,333,333,333,333,0,333, 333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1000,0,370,0,0,0,0,611, 778,1000,365,0,0,0,0,0,889,0,0,0,278,0,0,278,611,944,611,0,0,0}; static short timesroman_metric[] = {662, 250,333,408,500,500,833,778,333,333,333,500,564,250,333,250,278,500,500,500, 500,500,500,500,500,500,500,278,278,564,564,564,444,921,722,667,667,722,611, 556,722,722,333,389,722,611,889,722,722,556,722,667,556,611,722,722,944,722, 722,611,333,278,333,469,500,333,444,500,444,500,444,333,500,500,278,278,500, 278,778,500,500,500,500,333,389,278,500,500,722,500,500,444,480,200,480,541, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,500, 500,167,500,500,500,500,180,444,500,333,333,556,556,0,500,500,500,250,0,453, 350,333,444,444,500,1000,1000,0,444,0,333,333,333,333,333,333,333,333,0,333, 333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,889,0,276,0,0,0,0,611, 722,889,310,0,0,0,0,0,667,0,0,0,278,0,0,278,500,722,500,0,0,0}; static short timesitalic_metric[] = {660, /* height */ 250,333,420,500,500,833,778,333,333,333,500,675,250,333,250,278,500,500,500, 500,500,500,500,500,500,500,333,333,675,675,675,500,920,611,611,667,722,611, 611,722,722,333,444,667,556,833,667,722,611,722,611,500,556,722,611,833,611, 556,556,389,278,389,422,500,333,500,500,444,500,444,278,500,500,278,278,444, 278,722,500,500,500,500,389,389,278,500,444,667,444,444,389,400,275,400,541, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,389,500, 500,167,500,500,500,500,214,556,500,333,333,500,500,0,500,500,500,250,0,523, 350,333,556,556,500,889,1000,0,500,0,333,333,333,333,333,333,333,333,0,333, 333,0,333,333,333,889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,889,0,276,0,0,0,0,556, 722,944,310,0,0,0,0,0,667,0,0,0,278,0,0,278,500,667,500,0,0,0}; static short timesbold_metric[] = {681, /* height */ 250,333,555,500,500,1000,833,333,333,333,500,570,250,333,250,278,500,500,500, 500,500,500,500,500,500,500,333,333,570,570,570,500,930,722,667,722,722,667, 611,778,778,389,500,778,667,944,722,778,611,778,722,556,667,722,722,1000,722, 722,667,333,278,333,581,500,333,500,556,444,556,444,333,500,556,278,333,556, 278,833,556,500,556,556,444,389,333,556,500,722,500,500,444,394,220,394,520,0, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,500,500, 167,500,500,500,500,278,500,500,333,333,556,556,0,500,500,500,250,0,540,350, 333,500,500,500,1000,1000,0,500,0,333,333,333,333,333,333,333,333,0,333,333, 0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1000,0,300,0,0,0,0,667,778, 1000,330,0,0,0,0,0,722,0,0,0,278,0,0,278,500,722,556,0,0,0}; static short timesbolditalic_metric[] = {662, /* height */ 250,389,555,500,500,833,778,333,333,333,500,570,250,333,250,278,500,500,500, 500,500,500,500,500,500,500,333,333,570,570,570,500,832,667,667,667,722,667, 667,722,778,389,500,667,611,889,722,722,611,722,667,556,611,722,667,889,667, 611,611,333,278,333,570,500,333,500,500,444,500,444,333,500,556,278,278,500, 278,778,556,500,500,500,389,389,278,556,444,667,500,444,389,348,220,348,570, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,389,500, 500,167,500,500,500,500,278,500,500,333,333,556,556,0,500,500,500,250,0,500, 350,333,500,500,500,1000,1000,0,500,0,333,333,333,333,333,333,333,333,0,333, 333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,944,0,266,0,0,0,0,611 ,722,944,300,0,0,0,0,0,722,0,0,0,278,0,0,278,500,722,500,0,0,0}; static const char *figfonts[] = {"Times-Roman","Times-Italic","Times-Bold","Times-BoldItalic", "AvantGarde-Book","AvantGarde-BookOblique","AvantGarde-Demi","AvantGarde-DemiOblique", "Bookman-Light","Bookman-LightItalic","Bookman-Demi","Bookman-DemiItalic", "Courier","Courier-Italic","Courier-Bold","Courier-BoldItalic", "Helvetica","Helvetica-Oblique","Helvetica-Bold","Helvetica-BoldOblique", "Helvetica-Narrow","Helvetica-Narrow-Oblique","Helvetica-Narrow-Bold","Helvetica-Narrow-BoldOblique", "NewCenturySchlbk-Roman","NewCenturySchlbk-Italic","NewCenturySchlbk-Bold","NewCenturySchlbk-BoldItalic", "Palatino-Roman","Palatino-Italic","Palatino-Bold","Palatino-BoldItalic", "Symbol","ZapfChancery-MediumItalic","ZapfDingbats"}; double oldx, oldy; boolean didloadmetric; long nmoves,oldpictint,pagecount; double labelline,linewidth,oldxhigh,oldxlow,oldyhigh,oldylow, vrmllinewidth, raylinewidth,treeline,oldxsize,oldysize,oldxunitspercm, oldyunitspercm,oldxcorner,oldycorner,oldxmargin,oldymargin, oldhpmargin,oldvpmargin,clipx0,clipx1,clipy0,clipy1,userxsize,userysize; long rootmatrix[51][51]; long HiMode,GraphDriver,GraphMode,LoMode,bytewrite; /* externals should move to .h file later. */ extern long strpbottom,strptop,strpwide,strpdeep,strpdiv,hpresolution; extern boolean dotmatrix,empty,preview,previewing,pictbold,pictitalic, pictshadow,pictoutline; extern double expand,xcorner,xnow,xsize,xscale,xunitspercm, ycorner,ynow,ysize,yscale,yunitspercm,labelrotation, labelheight,xmargin,ymargin,pagex,pagey,paperx,papery, hpmargin,vpmargin; extern long filesize; extern growth grows; extern enum {yes,no} penchange,oldpenchange; extern FILE *plotfile; extern plottertype plotter,oldplotter,previewer; extern striptype stripe; extern char resopts; pentype lastpen; extern char pltfilename[FNMLNGTH]; extern char progname[FNMLNGTH]; #define NO_PLANE 666 /* To make POVRay happy */ #ifndef OLDC /* function prototypes */ int pointinrect(double, double, double, double, double, double); int rectintersects(double, double, double, double, double, double, double, double); long upbyte(long); long lobyte(long); void pictoutint(FILE *, long); Local long SFactor(void); long DigitsInt(long); Local boolean IsColumnEmpty(striparray *, long, long); void Skip(long Amount); Local long FirstBlack(striparray *, long, long); Local long FirstWhite(striparray *, long, long); Local boolean IsBlankStrip(striparray *mystripe, long deep); void striprint(long, long); long showvrmlparms(long vrmltreecolor, long vrmlnamecolor, long vrmlskycolornear, long vrmlskycolorfar, long vrmlgroundcolornear); void getvrmlparms(long *vrmltreecolor, long *vrmlnamecolor, long *vrmlskycolornear,long *vrmlskycolorfar, long *vrmlgroundcolornear,long *vrmlgroundcolorfar, long numtochange); #ifdef QUICKC void setupgraphics(void); #endif long showrayparms(long, long, long, long, long, long); void getrayparms(long *, long *, long *, long *, long *,long *, long); int readafmfile(char *, short *); void metricforfont(char *, short *); void plotchar(long *, struct LOC_plottext *); void swap_charptr(char **, char **); void plotpb(void); char *findXfont(char *, double, double *, int *); int macfontid(char *); int figfontid(char *fontname); void makebox(char *, double *, double *, double *, long); /* function prototypes */ #endif int pointinrect(double x,double y,double x0,double y0,double x1,double y1) { double tmp; if (x0 > x1) tmp = x0, x0 = x1, x1 = tmp; if (y0 > y1) tmp = y0, y0 = y1, y1 = tmp; return ((x >= x0 && x <= x1) && (y >= y0 && y <= y1)); } /* pointinrect */ int rectintersects(double xmin1,double ymin1,double xmax1,double ymax1, double xmin2,double ymin2,double xmax2,double ymax2) { double temp; /* check if any of the corners of either square are contained within the * * other one. This catches MOST cases, the last one (two) is two thin * * bands crossing each other (like a '+' ) */ if (xmin1 > xmax1){ temp = xmin1; xmin1 = xmax1; xmax1 = temp;} if (xmin2 > xmax2){ temp = xmin2; xmin2 = xmax2; xmax2 = temp;} if (ymin1 > ymax1){ temp = ymin1; ymin1 = ymax1; ymax1 = temp;} if (ymin2 > ymax2){ temp = ymin2; ymin2 = ymax2; ymax2 = temp;} return (pointinrect(xmin1,ymin1,xmin2,ymin2,xmax2,ymax2) || pointinrect(xmax1,ymin1,xmin2,ymin2,xmax2,ymax2) || pointinrect(xmin1,ymax1,xmin2,ymin2,xmax2,ymax2) || pointinrect(xmax1,ymax1,xmin2,ymin2,xmax2,ymax2) || pointinrect(xmin2,ymin2,xmin1,ymin1,xmax1,ymax1) || pointinrect(xmax2,ymin2,xmin1,ymin1,xmax1,ymax1) || pointinrect(xmin2,ymax2,xmin1,ymin1,xmax1,ymax1) || pointinrect(xmax2,ymax2,xmin1,ymin1,xmax1,ymax1) || (xmin1 >= xmin2 && xmax1 <= xmax2 && ymin2 >= ymin1 && ymax2 <= ymax1) || (xmin2 >= xmin1 && xmax2 <= xmax1 && ymin1 >= ymin2 && ymax1 <= ymax2)); } /* rectintersects */ void clearit() { long i; if (previewer == tek) printf("%c\f", escape); else if (ansi || ibmpc) printf("\033[2J\033[H"); else { for (i = 1; i <= 24; i++) putchar('\n'); } #ifdef WIN32 phyClearScreen(); #endif } /* clearit */ boolean isfigfont(char *fontname) { int i; if (strcmp(fontname,"Hershey") == 0) return 1; for (i=0;i<34;++i) if (strcmp(fontname,figfonts[i]) == 0) break; return (i < 34); } /* isfigfont */ int figfontid(char *fontname) { int i; for (i=0;i<34;++i) if (strcmp(fontname,figfonts[i]) == 0) return i; return -1; } /* figfontid */ const char *figfontname(int id) { return figfonts[id]; } /* figfontname */ void getpreview() { long loopcount; Char ch; clearit(); printf("\nWhich type of screen will it be previewed on?\n\n"); printf(" type: to choose one compatible with:\n\n"); printf(" N will not be previewed\n"); #ifdef DOS printf(" I MSDOS graphics screens\n"); #endif #ifdef MAC printf(" M Macintosh screens\n"); #endif #ifdef X printf(" X X Windows display\n"); #endif #ifdef WIN32 printf(" W MS Windows display\n"); #endif printf(" K TeKtronix 4010 graphics terminal\n"); printf(" D DEC ReGIS graphics (VT240 terminal)\n"); printf(" U other: one you have inserted code for\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); countup(&loopcount, 10); } #undef FOO #ifdef DOS #define FOO while (strchr("NIKDU",ch) == NULL); #endif #ifdef MAC #define FOO while (strchr("NMKDU",ch) == NULL); #endif #ifdef X #define FOO while (strchr("NXKDU",ch) == NULL); #endif #ifdef WIN32 #define FOO while (strchr("NWKDU",ch) == NULL); #endif #ifndef FOO while (strchr("NKDU",ch) == NULL); #endif preview = true; switch (ch) { case 'N': preview = false; previewer = other; /* Added by Dan F. */ break; case 'I': previewer = ibm; break; case 'M': previewer = mac; break; case 'X': previewer = xpreview; break; case 'W': previewer = winpreview; break; case 'K': previewer = tek; break; case 'D': previewer = decregis; break; case 'U': previewer = other; break; } printf("\n\n\n"); } /* getpreview */ void pout(long n) { #ifdef MAC if (previewing) printf("%*ld", (int)((long)(0.434295 * log((double)n) + 0.0001)), n); else fprintf(plotfile, "%*ld", (int)((long)(0.434295 * log((double)n) + 0.0001)), n); #endif #ifndef MAC if (previewing) printf("%*ld", (int)((long)(0.434295 * log((double)n) + 0.0001)), n); else fprintf(plotfile, "%*ld", (int)((long)(0.434295 * log((double)n) + 0.0001)), n); #endif } /* pout */ long upbyte(long num) { /* get upper nibble of byte */ long Result = 0, i, j, bytenum, nibcount; boolean done; bytenum = 0; done = false; nibcount = 0; i = num / 16; i /= 16; j = 1; while (!done) { bytenum += (i & 15) * j; nibcount++; if (nibcount == 2) { Result = bytenum; done = true; } else { j *= 16; i /= 16; } } return Result; } /* upbyte */ long lobyte(long num) { /* get low order nibble of byte */ long Result = 0, i, j, bytenum, nibcount; boolean done; bytenum = 0; done = false; nibcount = 0; i = num; j = 1; while (!done) { bytenum += (i & 15) * j; nibcount++; if (nibcount == 2) { Result = bytenum; done = true; } else { j *= 16; i /= 16; } } return Result; } /* lobyte */ void pictoutint(FILE *file, long pictint) { char picthi, pictlo; picthi = (char)(pictint / 256); pictlo = (char)(pictint % 256); fprintf(file, "%c%c", picthi, pictlo); } void initplotter(long ntips, char *fontname) { long i,j, hres, vres; Char picthi, pictlo; long pictint; int padded_width, byte_width; unsigned int dummy1, dummy2; treeline = 0.18 * labelheight * yscale * expand; labelline = 0.06 * labelheight * yscale * expand; linewidth = treeline; if (dotmatrix ) { for (i = 0; i <= 50; i++) { /* for fast circle calculations */ for (j = 0; j <= 50; j++){ rootmatrix[i][j] = (long)floor(sqrt((double)(i * i + j * j)) + 0.5);} } } switch (plotter) { case xpreview: #ifdef X XGetGeometry(display,mainwin, &DefaultRootWindow(display),&x,&y,&width,&height,&dummy1,&dummy2); XClearWindow(display,mainwin); #endif break; case tek: oldxhigh = -1.0; oldxlow = -1.0; oldyhigh = -1.0; oldylow = -1.0; nmoves = 0; /* DLS/JMH -- See function PLOT */ if (previewing) /* DLS/JMH */ printf("%c\f", escape); /* DLS/JMH */ else fprintf(plotfile, "%c\f", escape); break; case hp: fprintf(plotfile, "IN;SP1;VS10.0;\n"); break; case ray: treeline = 0.27 * labelheight * yscale * expand; linewidth = treeline; raylinewidth = treeline; if (grows == vertical) fprintf(plotfile, "plane backcolor 0 0 %2.4f 0 0 1\n", ymargin); else fprintf(plotfile, "plane backcolor 0 0 %2.4f 0 0 1\n", ymargin - ysize / (ntips - 1)); fprintf(plotfile, "\nname tree\n"); fprintf(plotfile, "grid 22 22 22\n"); break; case pov: treeline = 0.27 * labelheight * yscale * expand; linewidth = treeline; raylinewidth = treeline; fprintf(plotfile, "\n// First, the tree\n\n"); break; case vrml: vrmllinewidth = treeline; break; case pict: plotfile = freopen(pltfilename,"wb",plotfile); for (i=0;i<512;++i) putc('\000',plotfile); pictoutint(plotfile,1000); /* size...replaced later with seek */ pictoutint(plotfile,1); /* bbx0 */ pictoutint(plotfile,1); /* bby0 */ pictoutint(plotfile,612); /* bbx1 */ pictoutint(plotfile,792); /* bby1 */ fprintf(plotfile,"%c%c",0x11,0x01); /* version "1" (B&W) pict */ fprintf(plotfile,"%c%c%c",0xa0,0x00,0x82); fprintf(plotfile,"%c",1); /* clip rect */ pictoutint(plotfile,10); /* region size, bytes. */ pictoutint(plotfile,1); /* clip x0 */ pictoutint(plotfile,1); /* clip y0 */ pictoutint(plotfile,612); /* clip x1 */ pictoutint(plotfile,792); /* clip y1 */ bytewrite+=543; oldpictint = 0; pictint = (long)(linewidth + 0.5); if (pictint == 0) pictint = 1; picthi = (Char)(pictint / 256); pictlo = (Char)(pictint % 256); fprintf(plotfile, "\007%c%c%c%c", picthi, pictlo, picthi, pictlo); /* Set pen size for drawing tree. */ break; case bmp: plotfile = freopen(pltfilename,"wb",plotfile); write_bmp_header(plotfile, (int)(xsize*xunitspercm), (int)(ysize*yunitspercm)); byte_width = (int) ceil (xsize / 8.0); padded_width = ((byte_width + 3) / 4) * 4 ; full_pic = (byte *) Malloc ((padded_width *2) * (int) ysize) ; break ; case xbm: /* what a completely verbose data representation format! */ fprintf(plotfile, "#define drawgram_width %5ld\n", (long)(xunitspercm * xsize)); fprintf(plotfile, "#define drawgram_height %5ld\n", (long)(yunitspercm * ysize)); fprintf(plotfile, "static char drawgram_bits[] = {\n"); /*filesize := 53; */ break; case lw: /* write conforming postscript */ fprintf(plotfile,"%%!PS-Adobe-2.0\n"); fprintf(plotfile,"%%%%Title: Phylip Tree Output\n"); fprintf(plotfile,"%%%%DocumentFonts: (atend)\n"); fprintf(plotfile,"%%%%Pages: %d 1\n", ((int)((pagex-hpmargin-0.01)/(paperx-hpmargin))+1)* ((int)((pagey-vpmargin-0.01)/papery-vpmargin)+1)); fprintf(plotfile,"%%%%BoundingBox: 0 0 612 792\n"); fprintf(plotfile,"%%%%DocumentPaperSizes: Letter\n"); /* this may not be right */ fprintf(plotfile,"%%%%Orientation: Portrait\n"); fprintf(plotfile,"%%%%EndComments\n"); fprintf(plotfile,"/l {newpath moveto lineto stroke} def\n"); fprintf(plotfile,"%%%%EndProlog\n%%%%\n"); fprintf(plotfile,"%%%%Page: 1 1\n"); fprintf(plotfile,"%%%%PageBoundingBox: 0 0 %d %d\n", (int)(xunitspercm*paperx),(int)(yunitspercm*papery)); fprintf(plotfile,"%%%%PageFonts: (atend)\n%%%%BeginPageSetup\n"); fprintf(plotfile,"%%%%PaperSize: Letter\n"); fprintf(plotfile," 1 setlinecap \n 1 setlinejoin \n"); fprintf(plotfile, "%8.2f setlinewidth newpath \n", treeline); break; case idraw: fprintf(plotfile, "%%I Idraw 9 Grid 8 \n\n"); fprintf(plotfile,"%%%%Page: 1 1\n\n"); fprintf(plotfile,"Begin\n"); fprintf(plotfile,"%%I b u\n"); fprintf(plotfile,"%%I cfg u\n"); fprintf(plotfile,"%%I cbg u\n"); fprintf(plotfile,"%%I f u\n"); fprintf(plotfile,"%%I p u\n"); fprintf(plotfile,"%%I t\n"); fprintf(plotfile,"[ 0.679245 0 0 0.679245 0 0 ] concat\n"); fprintf(plotfile,"/originalCTM matrix currentmatrix def\n\n"); break; case ibm: #ifdef TURBOC initgraph(&GraphDriver,&HiMode,""); #endif #ifdef QUICKC setupgraphics(); #endif break; case mac: #ifdef MAC gfxmode(); pictint=(long)(linewidth + 0.5); #endif break; case houston: break; case decregis: oldx = (double) 300; oldy = (double) 1; nmoves = 0; if (previewing) printf("%c[2J%cPpW(I3);S(A[0,0][799,479]);S(I(W))S(E);S(C0);W(I(D))\n", escape,escape); else fprintf(plotfile, "%c[2J%cPpW(I3);S(A[0,0][799,479]);S(I(W))S(E);S(C0);W(I(D))\n", escape,escape); break; case epson: plotfile = freopen(pltfilename,"wb",plotfile); fprintf(plotfile, "\0333\030"); break; case oki: plotfile = freopen(pltfilename,"wb",plotfile); fprintf(plotfile, "\033%%9\020"); break; case citoh: plotfile = freopen(pltfilename,"wb",plotfile); fprintf(plotfile, "\033T16"); break; case toshiba: /* reopen in binary since we always need \n\r on the file */ /* and dos in text mode puts it, but unix does not */ plotfile = freopen(pltfilename,"wb",plotfile); fprintf(plotfile, "\033\032I\n\r\n\r"); fprintf(plotfile, "\033L06\n\r"); break; case pcl: plotfile = freopen(pltfilename,"wb",plotfile); /* debug omit next statement for Deskjet? Push current cursor fprintf(plotfile, "\033&f0S"); debug */ if (hpresolution == 150 || hpresolution == 300) fprintf(plotfile, "\033*t%3ldR", hpresolution); else if (hpresolution == 75) fprintf(plotfile, "\033*t75R"); break; case pcx: plotfile = freopen(pltfilename,"wb",plotfile); fprintf(plotfile,"\012\003\001\001%c%c%c%c",0,0,0,0); /* Manufacturer version (1 byte) version (1 byte), encoding (1 byte), bits per pixel (1 byte), xmin (2 bytes) ymin (2 bytes), Version */ hres = strpwide; vres = (long)floor(yunitspercm * ysize + 0.5); fprintf(plotfile, "%c%c", (unsigned char)lobyte(hres - 1), (unsigned char)upbyte(hres - 1)); /* Xmax */ fprintf(plotfile, "%c%c", (unsigned char)lobyte(vres - 1), (unsigned char)upbyte(vres - 1)); /* Ymax */ fprintf(plotfile, "%c%c", (unsigned char)lobyte(hres), (unsigned char)upbyte(hres)); /* Horizontal resolution */ fprintf(plotfile, "%c%c", (unsigned char)lobyte(vres), (unsigned char)upbyte(vres)); /* Vertical resolution */ for (i = 1; i <= 48; i++) /* Color Map */ putc('\000', plotfile); putc('\000', plotfile); putc('\001', plotfile); /* Num Planes */ putc(hres / 8, plotfile); /* Bytes per line */ putc('\000',plotfile); for (i = 1; i <= 60; i++) /* Filler */ putc('\000',plotfile); break; case fig: fprintf(plotfile, "#FIG 2.0\n"); fprintf(plotfile, "80 2\n"); break; case gif: case other: break; default: /* case vrml not handled */ break; /* initialization code for a new plotter goes here */ } } /* initplotter */ void finishplotter() { int padded_width, byte_width; /* For bmp code */ switch (plotter) { case xpreview: #ifdef X plotter=oldplotter; redraw(NULL,NULL,NULL); XtAppMainLoop(appcontext); #endif break; case tek: if (previewing) { scanf("%*c%*[^\n]"); getchar(); printf("%c\f", escape); } else { putc('\n', plotfile); plot(penup, 1.0, 1.0); } break; case hp: plot(penup, 1.0, 1.0); fprintf(plotfile, "SP;\n"); break; case ray: fprintf(plotfile,"end\n\nobject treecolor tree\n"); fprintf(plotfile,"object namecolor species_names\n"); break; case pov: break; case pict: fprintf(plotfile,"%c%c%c%c%c",0xa0,0x00,0x82,0xff,0x00); bytewrite+=5; fseek(plotfile,512L,SEEK_SET); pictoutint(plotfile,bytewrite); break; case lw: fprintf(plotfile, "stroke showpage \n\n"); fprintf(plotfile,"%%%%PageTrailer\n"); fprintf(plotfile,"%%%%PageFonts: %s\n", (strcmp(fontname,"Hershey") == 0) ? "" : fontname); fprintf(plotfile,"%%%%Trailer\n"); fprintf(plotfile,"%%%%DocumentFonts: %s\n", (strcmp(fontname,"Hershey") == 0) ? "" : fontname); break; case idraw: fprintf(plotfile, "\nEnd %%I eop\n\n"); fprintf(plotfile, "showpage\n\n"); fprintf(plotfile, "%%%%Trailer\n\n"); fprintf(plotfile, "end\n"); break; case ibm: #ifdef TURBOC getchar(); restorecrtmode(); #endif #ifdef QUICKC getchar(); _clearscreen(_GCLEARSCREEN); _setvideomode(_DEFAULTMODE); #endif break; case mac: #ifdef MAC plotter=oldplotter; eventloop(); #endif break; case houston: break; case decregis: plot(penup, 1.0, 1.0); if (previewing) printf("%c\\", escape); else fprintf(plotfile, "%c\\", escape); if (previewing) { getchar(); printf("%c[2J",escape); } break; case epson: fprintf(plotfile, "\0333$"); break; case oki: /* blank case */ break; case citoh: fprintf(plotfile, "\033A"); break; case toshiba: fprintf(plotfile, "\033\032I\n\r"); break; case pcl: /* debug omit next statement for Deskjet? pop cursor fprintf(plotfile, "\033&f1S"); debug */ fprintf(plotfile, "\033*rB"); /* Exit graphics mode */ putc('\f', plotfile); /* just to make sure? */ break; case pcx: /* blank case */ break; case bmp: byte_width = (int) ceil (xsize / 8.0); padded_width = ((byte_width + 3) / 4) * 4 ; turn_rows (full_pic, padded_width, (int) ysize); write_full_pic(full_pic, total_bytes); free (full_pic) ; break; case xbm: fprintf(plotfile, "}\n"); break; case fig: /* blank case */ break; case gif: case other: break; default: /* case vrml not handled */ break; /* termination code for a new plotter goes here */ } } /* finishplotter */ Local long SFactor() { /* the dot-skip is resolution-independent. */ /* this makes all the point-skip instructions skip the same # of dots. */ long Result = 0; if (hpresolution == 150) Result = 2; if (hpresolution == 300) Result = 1; if (hpresolution == 75) return 4; return Result; } /* SFactor */ long DigitsInt(long x) { if (x < 10) return 1; else if (x >= 10 && x < 100) return 2; else return 3; } /* DigistInt */ Local boolean IsColumnEmpty(striparray *mystripe, long pos, long deep) { long j; boolean ok; ok = true; j = 1; while (ok && j <= deep) { ok = (ok && mystripe[j - 1][pos - 1] == null); j++; } return ok; } /* IsColumnEmpty */ void Skip(long Amount) { /* assume we're not in gfx mode. */ fprintf(plotfile, "\033&f1S"); /* Pop the graphics cursor */ #ifdef MAC fprintf(plotfile, "\033*p+%*ldX", (int)DigitsInt(Amount * SFactor()), Amount * SFactor()); #endif #ifndef MAC fprintf(plotfile, "\033*p+%*ldX", (int)DigitsInt(Amount * SFactor()), Amount * SFactor()); #endif fprintf(plotfile, "\033&f0S"); /* Push the cursor to new location */ filesize += 15 + DigitsInt(Amount * SFactor()); } /* Skip */ Local long FirstBlack(striparray *mystripe, long startpos, long deep) { /* returns, given a strip and a position, next x with some y's nonzero */ long i; boolean columnempty; i = startpos; columnempty = true; while (columnempty && i < strpwide / 8) { columnempty = (columnempty && IsColumnEmpty(mystripe, i,deep)); if (columnempty) i++; } return i; } /* FirstBlack */ Local long FirstWhite(striparray *mystripe, long startpos, long deep) { /* returns, given a strip and a position, the next x with all y's zero */ long i; boolean columnempty; i = startpos; columnempty = false; while (!columnempty && i < strpwide / 8) { columnempty = IsColumnEmpty(mystripe, i,deep); if (!columnempty) i++; } return i; } /* FirstWhite */ Local boolean IsBlankStrip(striparray *mystripe, long deep) { long i, j; boolean ok; ok = true; i = 1; while (ok && i <= strpwide / 8) { for (j = 0; j < (deep); j++) ok = (ok && mystripe[j][i - 1] == '\0'); i++; } return ok; } /* IsBlankStrip */ void striprint(long div, long deep) { long i, j, t, x, theend, width; unsigned char counter; boolean done; done = false; width = strpwide; if (plotter != pcx && plotter != pcl && plotter != bmp && plotter != xbm) { while (!done) { for (i = 0; i < div; i++) done = done || (stripe[i] && (stripe[i][width - 1] != null)); if (!done) width--; done = (done || width == 0); } } switch (plotter) { case epson: if (!empty) { fprintf(plotfile, "\033L%c%c", (char) width & 255, (char) width / 256); for (i = 0; i < width; i++) putc(stripe[0][i], plotfile); filesize += width + 4; } putc('\n', plotfile); putc('\r', plotfile); break; case oki: if (!empty) { fprintf(plotfile, "\033%%1%c%c", (char) width / 128, (char) width & 127); for (i = 0; i < width; i++) putc(stripe[0][i], plotfile); filesize += width + 5; } putc('\n', plotfile); putc('\r', plotfile); break; case citoh: if (!empty) { fprintf(plotfile, "\033S%04ld",width); for (i = 0; i < width; i++) putc(stripe[0][i], plotfile); filesize += width + 6; } putc('\n', plotfile); putc('\r', plotfile); break; case toshiba: if (!empty) { for (i = 0; i < width; i++) { for (j = 0; j <= 3; j++) stripe[j][i] += 64; } fprintf(plotfile, "\033;%04ld",width); for (i = 0; i < width; i++) fprintf(plotfile, "%c%c%c%c", stripe[0][i], stripe[1][i], stripe[2][i], stripe[3][i]); filesize += width * 4 + 6; } putc('\n', plotfile); putc('\r', plotfile); break; case pcx: width = strpwide / 8; for (j = 0; j < div; j++) { t = 1; while (1) { i = 0; /* i == RLE count ???? */ while ((stripe[j][t + i - 1]) == (stripe[j][t + i]) && t + i < width && i < 63) i++; if (i > 0) { counter = 192; counter += i; putc(counter, plotfile); putc(255 - stripe[j][t - 1], plotfile); t += i; filesize += 2; } else { if (255 - (stripe[j][t - 1] & 255) >= 192) { putc(193, plotfile); filesize++; } putc(255 - stripe[j][t - 1], plotfile); t++; filesize++; } if (t >width) break; } } break; case pcl: width = strpwide / 8; if (IsBlankStrip(stripe,deep)) { #ifdef MAC fprintf(plotfile, "\033&f1S\033*p0X\033*p+%*ldY\033&f0S", (int)DigitsInt(deep * SFactor()), deep * SFactor()); #endif #ifndef MAC fprintf(plotfile, "\033&f1S\033*p0X\033*p+%*dY\033&f0S", (int)DigitsInt(deep * SFactor()), (int) (deep * SFactor())); #endif filesize += DEFAULT_STRIPE_HEIGHT + DigitsInt(deep * SFactor()); } else { /* plotting the actual strip as bitmap data */ x = 1; theend = 1; while (x < width) { x = FirstBlack(stripe, x,deep); /* all-black strip is now */ Skip((x - theend - 1) * 8); /* x..theend */ theend = FirstWhite(stripe, x,deep) - 1;/* like lastblack */ fprintf(plotfile, "\033*r1A"); /* enter gfx mode */ for (j = 0; j < div; j++) { #ifdef MAC fprintf(plotfile, "\033*b%*ldW", (int)DigitsInt(theend - x + 1), theend - x + 1); #endif #ifndef MAC fprintf(plotfile, "\033*b%*dW", (int)DigitsInt(theend - x + 1), (int) (theend - x + 1)); #endif /* dump theend-x+1 bytes */ for (t = x - 1; t < theend; t++) putc(stripe[j][t], plotfile); filesize += theend - x + DigitsInt(theend - x + 1) + 5; } fprintf(plotfile, "\033*rB"); /* end gfx mode */ Skip((theend - x + 1) * 8); filesize += 9; x = theend + 1; } fprintf(plotfile, "\033&f1S"); /* Pop cursor */ #ifdef MAC fprintf(plotfile, "\033*p0X\033*p+%*ldY", (int)DigitsInt(deep * SFactor()), deep * SFactor()); #endif #ifndef MAC fprintf(plotfile, "\033*p0X\033*p+%*dY", (int)DigitsInt(deep * SFactor()), (int) (deep * SFactor())); #endif filesize += DEFAULT_STRIPE_HEIGHT + DigitsInt(deep * SFactor()); fprintf(plotfile, "\033&f0S"); /* Push cursor */ } break; /* case for hpcl code */ case bmp: width = ((strpwide -1) / 8) +1; translate_stripe_to_bmp (&stripe, full_pic, increment++, width, div, &total_bytes) ; break; /* case for bmp code */ case xbm: x = 0; /* count up # of bytes so we can put returns. */ width = ((strpwide -1) / 8) +1; for (j = 0; j < div; j++) { for (i = 0; i < width; i++) { fprintf(plotfile, "0x%02x,",(unsigned char)stripe[j][i]); filesize += 5; x++; if ((x % 15) == 0) { putc('\n', plotfile); filesize++; } } } putc('\n',plotfile); break; case lw: case hp: case xpreview: case winpreview: case tek: case ibm: case mac: case houston: case decregis: case fig: case pict: case ray: case pov: case gif: case idraw: case other: break; default: /* case vrml not handled */ break; /* graphics print code for a new printer goes here */ } } /* striprint */ #ifdef QUICKC void setupgraphics() { _getvideoconfig(&myscreen); #ifndef WATCOM switch(myscreen.adapter){ case _CGA: case _OCGA: _setvideomode(_HRESBW); break; case _EGA: case _OEGA: _setvideomode(_ERESNOCOLOR); case _VGA: case _OVGA: case _MCGA: _setvideomode(_VRES2COLOR); break; case _HGC: _setvideomode(_HERCMONO); break; default: printf("Your display hardware is unsupported by this program.\n"); break; } #endif #ifdef WATCOM switch(myscreen.adapter){ case _VGA: case _SVGA: _setvideomode(_VRES16COLOR); break; case _MCGA: _setvideomode(_MRES256COLOR); break; case _EGA: _setvideomode(_ERESNOCOLOR); break; case _CGA: _setvideomode(_MRES4COLOR); break; case _HERCULES: _setvideomode(_HERCMONO); break; default: printf("Your display hardware is unsupported by this program.\n"); exxit(-1); break; } #endif _getvideoconfig(&myscreen); _setlinestyle(0xffff); xunitspercm=myscreen.numxpixels / 25; yunitspercm=myscreen.numypixels / 17.5; xsize = 25.0; ysize = 17.5; } /* setupgraphics */ #endif void loadfont(short *font, char *application) { FILE *fontfile; long i, charstart = 0, dummy; Char ch = 'A'; i=0; openfile(&fontfile,FONTFILE,"font file","r",application,NULL); while (!(eoff(fontfile) || ch == ' ')) { charstart = i + 1; fscanf(fontfile, "%c%c%ld%hd%hd", &ch, &ch, &dummy, &font[charstart + 1], &font[charstart + 2]); font[charstart] = ch; i = charstart + 3; do { if ((i - charstart - 3) % 10 == 0) scan_eoln(fontfile); i++; fscanf(fontfile, "%hd", &font[i - 1]); } while (abs(font[i - 1]) < 10000); scan_eoln(fontfile); font[charstart - 1] = i + 1; } font[charstart - 1] = 0; FClose(fontfile); } /* loadfont */ long showrayparms(long treecolor, long namecolor, long backcolor, long bottomcolor, long rx, long ry) { long i, loopcount; Char ch,input[32]; long numtochange; if (previewer == tek) printf("%c\f", escape); else { for (i = 1; i <= 24; i++) putchar('\n'); } if (plotter == ray) { printf("Settings for Rayshade file: \n\n"); printf(" (1) Tree color: %.10s\n",colors[treecolor-1].name); printf(" (2) Species names color: %.10s\n",colors[namecolor-1].name); printf(" (3) Background color: %.10s\n",colors[backcolor-1].name); printf(" (4) Resolution: %2ld X %2ld\n\n",rx,ry); } else if (plotter == pov) { printf("Settings for POVray file: \n\n"); printf(" (1) Tree color: %.10s\n",colors[treecolor-1].name); printf(" (2) Species names color: %.10s\n",colors[namecolor-1].name); printf(" (3) Background color: %.10s\n",colors[backcolor-1].name); printf(" (4) Bottom plane: %.10s\n", bottomcolor == NO_PLANE ? "(none)\0" : colors[bottomcolor-1].name); } printf(" Do you want to accept these? (Yes or No)\n"); loopcount = 0; for (;;) { printf(" Type Y or N or the number (1-4) of the one to change: \n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); numtochange=atoi(input); uppercase(&input[0]); ch=input[0]; if (ch == 'Y' || ch == 'N' || (numtochange >= 1 && numtochange <= 4)) break; countup(&loopcount, 10); } return (ch == 'Y') ? -1 : numtochange; } /* showrayparms */ void getrayparms(long *treecolor, long *namecolor, long *backcolor, long *bottomcolor, long *rx,long *ry, long numtochange) { Char ch; long i, loopcount; if (numtochange == 0) { loopcount = 0; do { printf(" Type the number of one that you want to change (1-4):\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &numtochange); getchar(); countup(&loopcount, 10); } while (numtochange < 1 || numtochange > 10); } switch (numtochange) { case 1: printf("\nWhich of these colors will the tree be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*treecolor) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*treecolor) = i; return; } } countup(&loopcount, 10); } while ((*treecolor) == 0); break; case 2: printf("\nWhich of these colors will the species names be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*namecolor) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*namecolor) = i; return; } } countup(&loopcount, 10); } while ((*namecolor) == 0); break; case 3: printf("\nWhich of these colors will the background be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*backcolor) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*backcolor) = i; return; } } countup(&loopcount, 10); } while ((*backcolor) == 0); break; case 4: /* Dimensions for rayshade, bottom plane for povray */ if (plotter == pov) { printf("\nWhich of these colors will the bottom plane be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, Violet, or None (no plane)\n"); printf(" (W, R, O, Y, G, B, V, or N)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); /* If the user doesn't want a bottom plane. . . */ if (ch == 'N') { (*bottomcolor) = NO_PLANE; return; } else { (*bottomcolor) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*bottomcolor) = i; return; } } } countup(&loopcount, 10); } while ((*bottomcolor) == 0); } else if (plotter == ray) { printf("\nEnter the X resolution:\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", rx); getchar(); printf("Enter the Y resolution:\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]",ry); getchar(); } break; } } /* getrayparms */ long showvrmlparms(long vrmltreecolor, long vrmlnamecolor, long vrmlskycolornear, long vrmlskycolorfar, long vrmlgroundcolornear) { long i, loopcount; Char ch,input[32]; long numtochange; if (previewer == tek) printf("%c\f", escape); else { for (i = 1; i <= 24; i++) putchar('\n'); } printf("Settings for VRML file: \n\n"); printf(" (1) Tree color: %.10s\n",colors[vrmltreecolor-1].name); printf(" (2) Species names color: %.10s\n",colors[vrmlnamecolor-1].name); printf(" (3) Horizon color: %.10s\n",colors[vrmlskycolorfar-1].name); printf(" (4) Zenith color: %.10s\n",colors[vrmlskycolornear-1].name); printf(" (5) Ground color: %.10s\n",colors[vrmlgroundcolornear-1].name); printf(" Do you want to accept these? (Yes or No)\n"); loopcount = 0; for (;;) { printf(" Type Y or N or the number (1-5) of the one to change: \n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); numtochange=atoi(input); uppercase(&input[0]); ch=input[0]; if (ch == 'Y' || ch == 'N' || (numtochange >= 1 && numtochange <= 5)) break; countup(&loopcount, 10); } return (ch == 'Y') ? -1 : numtochange; } /* showvrmlparms */ void getvrmlparms(long *vrmltreecolor, long *vrmlnamecolor, long *vrmlskycolornear, long *vrmlskycolorfar, long *vrmlgroundcolornear, long *vrmlgroundcolorfar, long numtochange) { Char ch; long i, loopcount; if (numtochange == 0) { loopcount = 0; do { printf(" Type the number of one that you want to change (1-4):\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &numtochange); getchar(); countup(&loopcount, 10); } while (numtochange < 1 || numtochange > 10); } switch (numtochange) { case 1: printf("\nWhich of these colors will the tree be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*vrmltreecolor) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*vrmltreecolor) = i; return; } } countup(&loopcount, 10); } while ((*vrmltreecolor) == 0); break; case 2: printf("\nWhich of these colors will the species names be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*vrmlnamecolor) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*vrmlnamecolor) = i; return; } } countup(&loopcount, 10); } while ((*vrmlnamecolor) == 0); break; case 3: printf("\nWhich of these colors will the horizon be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*vrmlskycolorfar) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*vrmlskycolorfar) = i; return; } } countup(&loopcount, 10); } while ((*vrmlskycolorfar) == 0); break; case 4: printf("\nWhich of these colors will the zenith be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*vrmlskycolornear) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*vrmlskycolornear) = i; return; } } countup(&loopcount, 10); } while ((*vrmlskycolornear) == 0); break; case 5: printf("\nWhich of these colors will the ground be?:\n"); printf(" White, Red, Orange, Yellow, Green, Blue, or Violet\n"); printf(" (W, R, O, Y, G, B, or V)\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); (*vrmlgroundcolornear) = 0; for (i = 1; i <= 7; i++) { if (ch == colors[i - 1].name[0]) { (*vrmlgroundcolornear) = i; (*vrmlgroundcolorfar) = i; return; } } countup(&loopcount, 10); } while ((*vrmlgroundcolornear) == 0); break; } } /* gevrmlparms */ void plotrparms(long ntips) { /* set up initial characteristics of plotter or printer */ long treecolor, namecolor, backcolor, bottomcolor, rayresx, rayresy; double viewangle; long n, loopcount; double xsizehold, ysizehold; xsizehold = xsize; ysizehold = ysize; penchange = no; xcorner = 0.0; ycorner = 0.0; if (dotmatrix && (!previewing)) strpdiv = 1; switch (plotter) { case ray: penchange = yes; xunitspercm = 1.0; yunitspercm = 1.0; xsize = 10.0; ysize = 10.0; rayresx = 512; rayresy = 512; treecolor = 6; namecolor = 4; backcolor = 1; /* MSVC gave warning that bottomcolor was uninitialized. Unsure what this should be */ bottomcolor = 1; loopcount = 0; do { n=showrayparms(treecolor,namecolor,backcolor,bottomcolor,rayresx,rayresy); if (n != -1) getrayparms(&treecolor,&namecolor,&backcolor,&bottomcolor,&rayresx,&rayresy,n); countup(&loopcount, 10); } while (n != -1); xsize = rayresx; ysize = rayresy; fprintf(plotfile, "report verbose\n"); fprintf(plotfile, "screen %ld %ld\n", rayresx, rayresy); if (ysize >= xsize) { viewangle = 2 * atan(ysize / (2 * 1.21 * xsize)) * 180 / pi; fprintf(plotfile, "fov 45 %3.1f\n", viewangle); fprintf(plotfile, "light 1 point 0 %6.2f %6.2f\n", -xsize * 1.8, xsize * 1.5); fprintf(plotfile, "eyep %6.2f %6.2f %6.2f\n", xsize * 0.5, -xsize * 1.21, ysize * 0.55); } else { viewangle = 2 * atan(xsize / (2 * 1.21 * ysize)) * 180 / pi; fprintf(plotfile, "fov %3.1f 45\n", viewangle); fprintf(plotfile, "light 1 point 0 %6.2f %6.2f\n", -ysize * 1.8, ysize * 1.5); fprintf(plotfile, "eyep %6.2f %6.2f %6.2f\n", xsize * 0.5, -ysize * 1.21, ysize * 0.55); } fprintf(plotfile, "lookp %6.2f 0 %6.2f\n", xsize * 0.5, ysize * 0.5); fprintf(plotfile, "/* %.10s */\n", colors[treecolor - 1].name); fprintf(plotfile, "surface treecolor diffuse %5.2f%5.2f%5.2f specular 1 1 1 specpow 30\n", colors[treecolor - 1].red, colors[treecolor - 1].green, colors[treecolor - 1].blue); fprintf(plotfile, "/* %.10s */\n", colors[namecolor - 1].name); fprintf(plotfile, "surface namecolor diffuse %5.2f%5.2f%5.2f specular 1 1 1 specpow 30\n", colors[namecolor - 1].red, colors[namecolor - 1].green, colors[namecolor - 1].blue); fprintf(plotfile, "/* %.10s */\n", colors[backcolor - 1].name); fprintf(plotfile, "surface backcolor diffuse %5.2f%5.2f%5.2f\n\n", colors[backcolor - 1].red, colors[backcolor - 1].green, colors[backcolor - 1].blue); break; case pov: penchange = yes; xunitspercm = 1.0; yunitspercm = 1.0; xsize = 10.0; ysize = 10.0; rayresx = 512; rayresy = 512; treecolor = 6; namecolor = 4; backcolor = 1; bottomcolor = 1; loopcount = 0; do { n=showrayparms(treecolor,namecolor,backcolor,bottomcolor,rayresx,rayresy); if (n != -1) getrayparms(&treecolor,&namecolor,&backcolor,&bottomcolor,&rayresx,&rayresy,n); countup(&loopcount, 10); } while (n != -1); xsize = rayresx; ysize = rayresy; fprintf(plotfile, "// Declare the colors\n\n"); fprintf(plotfile, "#declare C_Tree = color rgb<%6.2f, %6.2f, %6.2f>\n", colors[treecolor-1].red, colors[treecolor-1].green, colors[treecolor-1].blue); fprintf(plotfile, "#declare C_Name = color rgb<%6.2f, %6.2f, %6.2f>\n\n", colors[namecolor-1].red, colors[namecolor-1].green, colors[namecolor-1].blue); fprintf(plotfile, "// Declare the textures\n\n"); fprintf(plotfile, "#declare %s = texture { pigment { C_Tree }\n", TREE_TEXTURE); fprintf(plotfile, "\t\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "#declare %s = texture { pigment { C_Name }\n", NAME_TEXTURE); fprintf(plotfile, "\t\tfinish { phong 1 phong_size 100 }}\n"); fprintf(plotfile, "\n#global_settings { assumed_gamma 2.2 }\n\n"); fprintf(plotfile, "light_source { <0, %6.2f, %6.2f> color <1,1,1> }\n\n", xsize * 1.8, xsize * 1.5); /* The camera location */ fprintf(plotfile, "camera {\n"); if (ysize >= xsize) { fprintf(plotfile, "\tlocation <%6.2f, %6.2f, %6.2f>\n", -xsize * 0.5, -xsize * 1.21, ysize * 0.55); } else { fprintf(plotfile, "\tlocation <%6.2f, %6.2f, %6.2f>\n", -xsize * 0.5, -ysize * 1.21, ysize * 0.55); } fprintf(plotfile, "\tlook_at <%6.2f, 0, %6.2f>\n", -xsize * 0.5, ysize * 0.5); /* Handily, we can rotate since the rayshade paradigm ain't exactly congruent to the povray paradigm */ fprintf(plotfile, "\trotate z*180\n"); fprintf(plotfile, "}\n\n"); fprintf(plotfile, "#background { color rgb <%6.2f, %6.2f, %6.2f> }\n\n", colors[backcolor-1].red, colors[backcolor-1].green, colors[backcolor-1].blue); if (bottomcolor != NO_PLANE) { /* The user wants a plane on the bottom... */ if (grows == vertical) fprintf(plotfile, "plane { z, %2.4f\n", 0.0 /*ymargin*/); else fprintf(plotfile, "plane { z, %2.4f\n", ymargin - ysize / (ntips - 1)); fprintf(plotfile, "\tpigment {color rgb <%6.2f, %6.2f, %6.2f> }}\n\n", colors[bottomcolor-1].red, colors[bottomcolor-1].green, colors[bottomcolor-1].blue); } break; case vrml: #ifndef MAC penchange = yes; xunitspercm = 1.0; yunitspercm = 1.0; xsize = 10.0; ysize = 10.0; vrmltreecolor = 6; vrmlnamecolor = 4; vrmlskycolornear = 7; vrmlskycolorfar = 2; vrmlgroundcolornear = 1; vrmlgroundcolorfar = 1; vrmlplotcolor = vrmltreecolor; loopcount = 0; do { n=showvrmlparms(vrmltreecolor, vrmlnamecolor, vrmlskycolornear, vrmlskycolorfar, vrmlgroundcolornear); if (n != -1) getvrmlparms(&vrmltreecolor, &vrmlnamecolor, &vrmlskycolornear, &vrmlskycolorfar, &vrmlgroundcolornear, &vrmlgroundcolorfar, n); countup(&loopcount, 10); } while (n != -1); break; #endif case pict: strcpy(fontname,"Times"); penchange = yes; xunitspercm = 28.346456693; yunitspercm = 28.346456693; /*7.5 x 10 inch default PICT page size*/ xsize = 19.05; ysize = 25.40; break; case lw: penchange = yes; xunitspercm = 28.346456693; yunitspercm = 28.346456693; xsize = pagex; ysize = pagey; break; case idraw: penchange = yes; xunitspercm = 28.346456693; yunitspercm = 28.346456693; xsize = 21.59; ysize = 27.94; break; case hp: penchange = no; xunitspercm = 400.0; yunitspercm = 400.0; xsize = 24.0; ysize = 18.0; break; #ifdef X case xpreview: xunitspercm = 39.37; yunitspercm = 39.37; xsize = width * 0.0254; ysize = height * 0.0254; break; #endif #ifdef WIN32 case winpreview: penchange = yes; xunitspercm = 28.346456693; yunitspercm = 28.346456693; xsize = winwidth / xunitspercm; ysize = winheight / yunitspercm; break; #endif case tek: xunitspercm = 50.0; yunitspercm = 50.0; xsize = 20.46; ysize = 15.6; break; case ibm: #ifdef TURBOC GraphDriver = 0; detectgraph(&GraphDriver,&GraphMode); getmoderange(GraphDriver,&LoMode,&HiMode); initgraph(&GraphDriver,&HiMode,""); xunitspercm = getmaxx()/25; yunitspercm = getmaxy() / 17.5; restorecrtmode(); xsize = 25.0; ysize = 17.5; #endif #ifdef QUICKC setupgraphics(); #endif break; case mac: penchange = yes; penchange = yes; xunitspercm = 28.346456693; yunitspercm = 28.346456693; xsize = winwidth / xunitspercm; ysize = winheight / yunitspercm; break; case houston: penchange = yes; xunitspercm = 100.0; yunitspercm = 100.0; xsize = 24.5; ysize = 17.5; break; case decregis: xunitspercm = 30.0; yunitspercm = 30.0; xsize = 25.0; ysize = 15.0; break; case epson: penchange = yes; xunitspercm = 47.244; yunitspercm = 28.346; xsize = 18.70; ysize = 22.0; strpwide = 960; strpdeep = 8; strpdiv = 1; break; case oki: penchange = yes; xunitspercm = 56.692; yunitspercm = 28.346; xsize = 19.0; ysize = 22.0; strpwide = 1100; strpdeep = 8; strpdiv = 1; break; case citoh: penchange = yes; xunitspercm = 28.346; yunitspercm = 28.346; xsize = 22.3; ysize = 26.0; strpwide = 640; strpdeep = 8; strpdiv = 1; break; case toshiba: penchange = yes; xunitspercm = 70.866; yunitspercm = 70.866; xsize = 19.0; ysize = 25.0; strpwide = 1350; strpdeep = 24; strpdiv = 4; break; case pcl: penchange = yes; xsize = 21.59; ysize = 27.94; xunitspercm = 118.11023622; /* 300 DPI = 118.1 DPC */ yunitspercm = 118.11023622; strpwide = 2550; /* 8.5 * 300 DPI */ strpdeep = DEFAULT_STRIPE_HEIGHT; /* height of the strip */ strpdiv = DEFAULT_STRIPE_HEIGHT; /* in this case == strpdeep */ /* this is information for 300 DPI resolution */ switch (hpresolution) { case 75: strpwide /= 4; xunitspercm /= 4.0; yunitspercm /= 4.0; break; case 150: strpwide /= 2; xunitspercm /= 2.0; yunitspercm /= 2.0; break; case 300: break; } break; case bmp: /* since it's resolution dependent, make 1x1 pixels */ penchange = yes; /* per square cm for easier math. */ xunitspercm = 1.0; yunitspercm = 1.0; xsize = userxsize / xunitspercm; ysize = userysize / yunitspercm; strpdeep = DEFAULT_STRIPE_HEIGHT; strpdiv = DEFAULT_STRIPE_HEIGHT; strpwide = (long)(xsize * xunitspercm); break; case xbm: /* since it's resolution dependent, make 1x1 pixels */ penchange = yes; /* per square cm for easier math. */ xunitspercm = 1.0; yunitspercm = 1.0; xsize = userxsize / xunitspercm; ysize = userysize / yunitspercm; strpdeep = 10; strpdiv = 10; strpwide = (long)(xsize*xunitspercm); break; case pcx: penchange = yes; xsize = 21.16; ysize = 15.88; strpdeep = 10; strpdiv = 10; xunitspercm = strpwide / xsize; switch (resopts) { case 1: strpwide = 640; yunitspercm = 350 / ysize; break; case 2: strpwide = 800; yunitspercm = 600 / ysize; break; case 3: strpwide = 1024; yunitspercm = 768 / ysize; break; } break; case fig: penchange = yes; xunitspercm = 31.011; yunitspercm = 29.78; xsize = 25.4; ysize = 20.32; break; case gif: case other: break; default: break; /* initial parameter settings for a new plotter go here */ } if (xsizehold != 0.0 && ysizehold != 0.0) { xmargin = xmargin * xsize / xsizehold; ymargin = ymargin * ysize / ysizehold; } if (previewing) return; } /* plotrparms */ void getplotter() { long loopcount; Char ch,input[100]; clearit() ; printf("\nWhich plotter or printer will the tree be drawn on?\n"); printf("(many other brands or models are compatible with these)\n\n"); printf(" type: to choose one compatible with:\n\n"); printf(" L Postscript printer file format\n"); printf(" M PICT format (for drawing programs)\n"); printf(" J HP Laserjet PCL file format\n"); printf(" W MS-Windows Bitmap\n"); #ifdef DOS printf(" I IBM PC graphics screens\n"); #endif printf(" F FIG 2.0 drawing program format \n"); printf(" A Idraw drawing program format \n"); printf(" Z VRML Virtual Reality Markup Language file\n"); printf(" P PCX file format (for drawing programs)\n"); printf(" K TeKtronix 4010 graphics terminal\n"); printf(" X X Bitmap format\n"); printf(" V POVRAY 3D rendering program file\n"); printf(" R Rayshade 3D rendering program file\n"); printf(" H Hewlett-Packard pen plotter (HPGL file format)\n"); printf(" D DEC ReGIS graphics (VT240 terminal)\n"); printf(" E Epson MX-80 dot-matrix printer\n"); printf(" C Prowriter/Imagewriter dot-matrix printer\n"); printf(" T Toshiba 24-pin dot-matrix printer\n"); printf(" O Okidata dot-matrix printer\n"); printf(" B Houston Instruments plotter\n"); printf(" U other: one you have inserted code for\n"); loopcount = 0; do { printf(" Choose one: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); countup(&loopcount, 10); } #ifdef DOS while (strchr("LJKHIDBECOTUAZPXRMFWV",ch) == NULL); #endif #ifndef DOS while (strchr("LJKHDBECOTAZUPXRMFWV",ch) == NULL); #endif switch (ch) { case 'L': plotter = lw; strcpy(fontname, "Times-Roman"); break; case 'A': plotter = idraw; strcpy(fontname, "Times-Bold"); break; case 'M': plotter = pict; strcpy(fontname, "Times"); break; case 'R': plotter = ray; strcpy(fontname, "Hershey"); break; case 'V': plotter = pov; strcpy(fontname, "Hershey"); break; case 'Z': plotter = vrml; strcpy(fontname, "Hershey"); break; case 'J': plotter = pcl; strcpy(fontname, "Hershey"); printf("Please select Laserjet resolution\n\n"); printf("1: 75 DPI\n2: 150 DPI\n3: 300 DPI\n\n"); loopcount = 0; do { #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); ch = atoi(input); countup(&loopcount, 10); } while (ch != 1 && ch != 2 && ch != 3); hpresolution = 75*(1<<(ch-1)); /* following pcl init code copied here from plotrparms */ xunitspercm = 118.11023622; /* 300 DPI = 118.1 DPC */ yunitspercm = 118.11023622; strpwide = 2550; /* 8.5 * 300 DPI */ strpdeep = DEFAULT_STRIPE_HEIGHT; /* height of the strip */ strpdiv = DEFAULT_STRIPE_HEIGHT; /* in this case == strpdeep */ /* this is information for 300 DPI resolution */ switch (hpresolution) { case 75: strpwide /= 4; xunitspercm /= 4.0; yunitspercm /= 4.0; break; case 150: strpwide /= 2; xunitspercm /= 2.0; yunitspercm /= 2.0; break; case 300: break; } break; case 'K': plotter = tek; strcpy(fontname, "Hershey"); break; case 'H': plotter = hp; strcpy(fontname, "Hershey"); break; case 'I': plotter = ibm; strcpy(fontname, "Hershey"); break; case 'D': plotter = decregis; strcpy(fontname, "Hershey"); break; case 'B': plotter = houston; strcpy(fontname, "Hershey"); break; case 'E': plotter = epson; strcpy(fontname, "Hershey"); break; case 'C': plotter = citoh; strcpy(fontname, "Hershey"); break; case 'O': plotter = oki; strcpy(fontname, "Hershey"); break; case 'T': plotter = toshiba; strcpy(fontname, "Hershey"); break; case 'P': plotter = pcx; strcpy(fontname, "Hershey"); printf("Please select the PCX file resolution\n\n"); printf("1: EGA 640 X 350\n"); printf("2: VGA 800 X 600\n"); printf("3: VGA 1024 X 768\n\n"); loopcount = 0; do { #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); ch = (char)atoi(input); uppercase(&ch); countup(&loopcount, 10); } while (ch != 1 && ch != 2 && ch != 3); switch (ch) { case 1: strpwide = 640; yunitspercm = 350 / ysize; resopts = 1; break; case 2: strpwide = 800; yunitspercm = 600 / ysize; resopts = 2; break; case 3: strpwide = 1024; yunitspercm = 768 / ysize; resopts = 3; break; } break; case 'W': plotter = bmp; strcpy(fontname, "Hershey"); printf("Please select the MS-Windows bitmap file resolution\n"); printf("X resolution?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &userxsize); getchar(); printf("Y resolution?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &userysize); getchar(); xunitspercm = 1.0; yunitspercm = 1.0; /* Assuming existing reasonable margin values, set the margins to be the same as those in the previous output mode/resolution. This corrects the problem of the tree being hard up against the border when large resolutions are entered. */ xmargin = userxsize / xsize * xmargin; ymargin = userysize / ysize * ymargin; xsize = userxsize; ysize = userysize; strpdeep = DEFAULT_STRIPE_HEIGHT; strpdiv = DEFAULT_STRIPE_HEIGHT; strpwide = (long)xsize; break; case 'X': plotter = xbm; strcpy(fontname, "Hershey"); printf("Please select the X-bitmap file resolution\n"); printf("X resolution?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &userxsize); getchar(); printf("Y resolution?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &userysize); getchar(); xunitspercm = 1.0; yunitspercm = 1.0; /* Assuming existing reasonable margin values, set the margins to be the same as those in the previous output mode/resolution. This corrects the problem of the tree being hard up against the border when large resolutions are entered. */ xmargin = userxsize / xsize * xmargin; ymargin = userysize / ysize * ymargin; xsize = userxsize; ysize = userysize; strpdeep = DEFAULT_STRIPE_HEIGHT; strpdiv = DEFAULT_STRIPE_HEIGHT; strpwide = (long)xsize; break; case 'F': plotter = fig; strcpy(fontname, "Times-Roman"); break; case 'U': plotter = other; break; } dotmatrix = (plotter == epson || plotter == oki || plotter == citoh || plotter == toshiba || plotter == pcx || plotter == pcl || plotter == xbm || plotter == bmp); } /* getplotter */ void changepen(pentype pen) { Char picthi, pictlo; long pictint; lastpen = pen; switch (pen) { case treepen: linewidth = treeline; if (plotter == hp) fprintf(plotfile, "SP1;\n"); if (plotter == lw) { fprintf(plotfile, "stroke %8.2f setlinewidth \n", treeline); fprintf(plotfile, " 1 setlinecap 1 setlinejoin \n"); } #ifdef WIN32 if (plotter == winpreview) SelectObject(hdc, hPenTree); #endif break; case labelpen: linewidth = labelline; if (plotter == hp) fprintf(plotfile, "SP2;\n"); if (plotter == lw) { fprintf(plotfile, " stroke%8.2f setlinewidth \n", labelline); fprintf(plotfile, "1 setlinecap 1 setlinejoin \n"); } #ifdef WIN32 if (plotter == winpreview) SelectObject(hdc, hPenLabel); #endif break; } #ifdef MAC if (plotter == mac){ pictint = ( long)(linewidth + 0.5); if (pictint ==0) pictint = 1; } #endif if (plotter != pict) return; pictint = ( long)(linewidth + 0.5); if (pictint == 0) pictint = 1; picthi = (Char)(pictint / 256); pictlo = (Char)(pictint & 255); fprintf(plotfile, "\007%c%c%c%c", picthi, pictlo, picthi, pictlo); bytewrite += 5; } /* changepen */ int readafmfile(char *filename, short *metric) { char line[256], word1[100], word2[100]; int scanned, nmetrics=0, inmetrics, charnum, charlen, i, capheight=0; FILE *fp; fp = fopen(filename,"r"); if (!fp) return 0; inmetrics = 0; for (i=0;i<256;metric[i++]=(short)0); for (;;){ scanned = fscanf(fp,"%[^\n]\n",line); if (scanned != 1 ) break; scanned=sscanf(line,"%s %s",word1,word2); if (scanned == 2 && strcmp(word1,"CapHeight") == 0) capheight = atoi(word2); if (inmetrics){ sscanf(line,"%*s %s %*s %*s %s",word1,word2); charnum = atoi(word1); charlen = atoi(word2); nmetrics--; if (nmetrics == 0) break; if (charnum != -1 && charnum >= 32) metric[charnum-31] = charlen; } else if (scanned == 2 && strcmp(word1,"StartCharMetrics") == 0) nmetrics = atoi(word2), inmetrics = 1; if ((strcmp(word1,"EndCharMetrics") == 0) || (feof(fp))) break; } FClose(fp); metric[0] = capheight; return 1; } /* readafmfile */ void metricforfont(char *fontname, short *fontmetric) { int i; long loopcount; char afmfile[FNMLNGTH]; if ((strcmp(fontname,"Helvetica") == 0) || (strcmp(fontname,"Helvetica-Oblique") == 0)) for (i=31;i<256;++i) fontmetric[i-31] = helvetica_metric[i-31]; else if ((strcmp(fontname,"Helvetica-Bold") == 0) || (strcmp(fontname,"Helvetica-BoldOblique") == 0)) for (i=31;i<256;++i) fontmetric[i-31] = helveticabold_metric[i-31]; else if (strcmp(fontname,"Times-Roman") == 0) for (i=31;i<256;++i) fontmetric[i-31] = timesroman_metric[i-31]; else if (strcmp(fontname,"Times") == 0) for (i=31;i<256;++i) fontmetric[i-31] = timesroman_metric[i-31]; else if (strcmp(fontname,"Times-Italic") == 0) for (i=31;i<256;++i) fontmetric[i-31] = timesitalic_metric[i-31]; else if (strcmp(fontname,"Times-Bold") == 0) for (i=31;i<256;++i) fontmetric[i-31] = timesbold_metric[i-31]; else if (strcmp(fontname,"Times-BoldItalic") == 0) for (i=31;i<256;++i) fontmetric[i-31] = timesbolditalic_metric[i-31]; else if (strncmp(fontname,"Courier",7) == 0){ fontmetric[0] = 562; for (i=32;i<256;++i) fontmetric[i-31] = (short)600; } else { if (didloadmetric){ for (i=31;i<256;++i) fontmetric[i-31] = unknown_metric[i-31];} else { didloadmetric = 1; sprintf(afmfile,"%s.afm",fontname); /* search current dir */ if (readafmfile(afmfile,unknown_metric)){ for (i=31;i<256;++i) fontmetric[i-31] = unknown_metric[i-31]; return;} sprintf(afmfile,"%s%s.afm",AFMDIR,fontname); /* search afm dir */ if (readafmfile(afmfile,unknown_metric)){ for (i=31;i<256;++i) fontmetric[i-31] = unknown_metric[i-31]; return;} #ifdef NeXT sprintf(afmfile,"%s/Library/Fonts/%s.font/%s.afm",getenv("HOME"), fontname,fontname); if (readafmfile(afmfile,unknown_metric)){ for (i=31;i<256;++i) fontmetric[i-31] = unknown_metric[i-31]; return;} sprintf(afmfile,"/LocalLibrary/Fonts/%s.font/%s.afm",fontname,fontname); if (readafmfile(afmfile,unknown_metric)){ for (i=31;i<256;++i) fontmetric[i-31] = unknown_metric[i-31]; return;} #endif loopcount = 0; for (;;){ printf("Enter the path of the %s.afm file, or \"none\" for best guess:", fontname); getstryng(afmfile); if (strcmp(afmfile,"none") == 0){ for (i=31;i<256;++i) fontmetric[i-31] = timesroman_metric[i-31], unknown_metric[i-31] = timesroman_metric[i-31], didloadmetric =1; return; } else { if (readafmfile(afmfile,unknown_metric)){ for (i=31;i<256;++i) fontmetric[i-31] = unknown_metric[i-31]; return;} else printf("Can't read that file. Please re-enter.\n"); } countup(&loopcount, 10); } } } } /* metricforfont */ double heighttext(fonttype font, char *fontname) { short afmetric[256]; #ifdef MAC FontInfo info; #endif if (strcmp(fontname,"Hershey") == 0) return (double)font[2]; #ifdef MAC else if (((plotter == pict || plotter == mac) && (((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0))))){ TextFont(macfontid(fontname)); TextSize((int)(1000)); TextFace((int)((pictbold ? 1: 0) | (pictitalic ? 2 : 0)| (pictoutline ? 8 : 0)|(pictshadow ? 16 : 0))); GetFontInfo(&info); TextFont(macfontid("courier")); TextSize(10); TextFace(0); return (double)info.ascent; } #endif else if (strcmp(fontname,"Hershey") == 0) return (double)font[2]; else{ metricforfont(fontname,afmetric); return (double)afmetric[0];} } /* heighttext */ double lengthtext(char *pstring, long nchars, char *fontname, fonttype font) { /* lengthext */ long i, j, code; static double sumlength; long sumbigunits; short afmetric[256]; sumlength = 0.0; if (strcmp(fontname,"Hershey") == 0) { for (i = 0; i < nchars; i++) { code = pstring[i]; j = 1; while (font[j] != code && font[j - 1] != 0) j = font[j - 1]; if (font[j] == code) sumlength += font[j + 2]; } return sumlength; } #ifdef MAC else if (((plotter == pict || plotter == mac) && (((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0))))){ TextFont(macfontid(fontname)); TextSize((int)(1000)); TextFace((int)((pictbold ? 1: 0) | (pictitalic ? 2 : 0)| (pictoutline ? 8 : 0)|(pictshadow ? 16 : 0))); sumbigunits = 0; for (i = 0; i < nchars; i++) sumbigunits += (long)CharWidth(pstring[i]); TextFace(0); TextSize(10); TextFont(macfontid("courier")); return (double)sumbigunits; } #endif else { metricforfont(fontname,afmetric); sumbigunits = 0; for (i = 0; i < nchars; i++) sumbigunits += afmetric[(int)(1+(unsigned char)pstring[i] - 32)]; sumlength = (double)sumbigunits; } return sumlength; } /* lengthtext */ void plotchar(long *place, struct LOC_plottext *text) { text->heightfont = text->font[*place + 1]; text->yfactor = text->height / text->heightfont; text->xfactor = text->yfactor; *place += 3; do { (*place)++; text->coord = text->font[*place - 1]; if (text->coord > 0) text->penstatus = pendown; else text->penstatus = penup; text->coord = abs(text->coord); text->coord %= 10000; text->xfont = (text->coord / 100 - xstart) * text->xfactor; text->yfont = (text->coord % 100 - ystart) * text->yfactor; text->xplot = text->xx + (text->xfont * text->cosslope + text->yfont * text->sinslope) * text->compress; text->yplot = text->yy - text->xfont * text->sinslope + text->yfont * text->cosslope; plot(text->penstatus, text->xplot, text->yplot); } while (abs(text->font[*place - 1]) < 10000); text->xx = text->xplot; text->yy = text->yplot; } /* plotchar */ void swap_charptr(char **one, char **two) { char *tmp = (*one); (*one)= (*two); (*two) = tmp; } /* swap */ void plotpb() { pagecount++; fprintf(plotfile,"\n showpage \n%%%%PageTrailer\n"); fprintf(plotfile,"%%%%DocumentFonts: %s\n", (strcmp(fontname,"Hershey") == 0) ? "" : fontname); fprintf(plotfile,"%%%%\n%%%%Page: %ld %ld\n",pagecount,pagecount); fprintf(plotfile,"%%%%PageBoundingBox: 0 0 %d %d\n", (int)(xunitspercm*paperx),(int)(yunitspercm*papery)); fprintf(plotfile,"%%%%PageFonts: (atend)\n%%%%BeginPageSetup\n%%%%PaperSize: Letter\n"); fprintf(plotfile,"0 0 moveto\n"); /* hack to make changepen work w/o errors */ changepen(lastpen); } /* plotpb */ void drawit(char *fontname, double *xoffset, double *yoffset, long numlines, node *root) { long i, j, line, xpag, ypag; long test_long ; /* To get a division out of a loop */ (*xoffset) = 0.0; (*yoffset) = 0.0; xpag = (int)((pagex-hpmargin-0.01)/(paperx - hpmargin))+1; ypag = (int)((pagey-vpmargin-0.01)/(papery - vpmargin))+1; if (dotmatrix){ strptop = (long)(ysize * yunitspercm); strpbottom = numlines*strpdeep + 1; } else { pagecount = 1; for (j=0; j DEFAULT_STRIPE_HEIGHT){ /* large stripe, do in DEFAULT_STRIPE_HEIGHT (20)-line */ for (i=0;i b) ? a : b) #ifdef min #undef min #endif #define min(a,b) ((a > b) ? b : a) #define max4(a,b,c,d) (max(max(a,b),max(c,d))) #define min4(a,b,c,d) (min(min(a,b),min(c,d))) struct LOC_plottext text; long i, j, code; double pointsize; int epointsize; /* effective pointsize before scale in idraw matrix */ double iscale; double textlen; double px0,py0,px1,py1; /* square bounding box of text */ text.heightfont = font_[2]; pointsize = (((height_ / xunitspercm) / 2.54) * 72.0); if (strcmp(fontname,"Hershey") !=0) pointsize *= ((double)1000.0 / heighttext(font_,fontname)); text.height = height_; text.compress = cmpress2; text.font = font_; text.xx = x; text.yy = y; text.sinslope = sin(pi * slope / 180.0); text.cosslope = cos(pi * slope / 180.0); if ((strcmp(fontname,"Hershey") == 0)|| (previewing && (!(((plotter == pict) || (plotter == mac)) && (((grows == vertical) && (labelrotation == 0.0)) || ((grows == horizontal) && (labelrotation == 90.0)) ))))){ for (i = 0; i < nchars; i++) { code = pstring[i]; j = 1; while (text.font[j] != code && text.font[j - 1] != 0) j = text.font[j - 1]; plotchar(&j, &text); } } /* print native font. idraw, PS, pict, and fig. */ else if (plotter == fig) { fprintf(plotfile,"4 0 %d %d 0 -1 0 %1.5f 4 19 163 %d %d %s\001\n", figfontid(fontname), /* font ID */ (int)pointsize, /* font size */ (double)0.0, /* font rotation */ (int)x, /* x position */ (int)(606.0 - y), /* y position */ pstring); } else if (plotter == lw) { /* If there's NO possibility that the line intersects the square bounding * box of the font, leave it out. Otherwise, let postscript clip to region. * Compute text boundary, be REAL generous. */ textlen = (lengthtext(pstring,nchars,fontname,font_)/1000)*pointsize; px0 = min4(x + (text.cosslope * pointsize), x - (text.cosslope * pointsize), x + (text.cosslope * pointsize) + (text.sinslope * textlen), x - (text.cosslope * pointsize) + (text.sinslope * textlen)) /28.346; px1 = max4(x + (text.cosslope * pointsize), x - (text.cosslope * pointsize), x + (text.cosslope * pointsize) + (text.sinslope * textlen), x - (text.cosslope * pointsize) + (text.sinslope * textlen)) /28.346; py0 = min4(y + (text.sinslope * pointsize), y - (text.sinslope * pointsize), y + (text.sinslope * pointsize) + (text.cosslope * textlen), y - (text.sinslope * pointsize) + (text.cosslope * textlen)) /28.346; py1 = max4(y + (text.sinslope * pointsize), y - (text.sinslope * pointsize), y + (text.sinslope * pointsize) + (text.cosslope * textlen), y - (text.sinslope * pointsize) + (text.cosslope * textlen)) /28.346; /* if rectangles intersect, print it. */ if (rectintersects(px0,py0,px1,py1,clipx0,clipy0,clipx1,clipy1)) { fprintf(plotfile,"gsave\n"); fprintf(plotfile,"/%s findfont %f scalefont setfont\n",fontname, pointsize); fprintf(plotfile,"%f %f translate %f rotate\n", x-(clipx0*xunitspercm),y-(clipy0*xunitspercm),-slope); fprintf(plotfile,"0 0 moveto\n"); fprintf(plotfile,"(%s) show\n",pstring); fprintf(plotfile,"grestore\n"); } } else if (plotter == idraw) { iscale = pointsize / 12.0; y += text.height * text.cosslope; x += text.height * text.sinslope; fprintf(plotfile, "Begin %%I Text\n"); fprintf(plotfile, "%%I cfg Black\n"); fprintf(plotfile, "0 0 0 SetCFg\n"); fprintf(plotfile, "%%I f %s\n", findXfont(fontname,pointsize,&iscale,&epointsize)); fprintf(plotfile,"%s %d SetF\n",fontname,epointsize); fprintf(plotfile, "%%I t\n"); fprintf(plotfile, "[ %f %f %f %f %f %f ] concat\n", text.cosslope*iscale, -text.sinslope*iscale, text.sinslope*iscale, text.cosslope*iscale, x+216.0 ,y+285.0); fprintf(plotfile, "%%I\n"); fprintf(plotfile, "[\n(%s)\n] Text\nEnd\n\n",pstring); } else if (plotter == pict || plotter == mac) { if (previewing){ #ifdef MAC TextFont(macfontid(fontname)); TextSize((int)(pointsize+0.5)); TextFace((int)((pictbold ? 1: 0) | (pictitalic ? 2 : 0)| (pictoutline ? 8 : 0)|(pictshadow ? 16 : 0))); MoveTo((int)floor((double)x + 0.5), winheight - (long)floor((double)y + 0.5)+MAC_OFFSET); putstring(pstring); TextFont(macfontid("courier")); TextSize(10); TextFace(0); #endif } else { /* txfont: */ fprintf(plotfile,"%c",(unsigned char)3); pictoutint(plotfile,macfontid(fontname)); /* txsize: */ fprintf(plotfile,"%c",13); pictoutint(plotfile,(int)(pointsize+0.5)); /* txface: */ fprintf(plotfile,"%c%c",4, (int)((pictbold ? 1: 0) | (pictitalic ? 2 : 0)| (pictoutline ? 8 : 0)|(pictshadow ? 16 : 0))); /* txfloc: */ fprintf(plotfile,"%c",40); pictoutint(plotfile,(int)floor(ysize * yunitspercm - y + 0.5)); pictoutint(plotfile,(int)(x+0.5)); fprintf(plotfile,"%c%s",(char)strlen(pstring),pstring); bytewrite+=(14+strlen(pstring)); } } } /* plottext */ void makebox(char *fn,double *xo,double *yo,double *scale,long ntips) /* fn--fontname| xo,yo--x and y offsets */ { /* draw the box on screen which represents plotting area. */ char ch; long xpag,ypag,i,j; double xpagecorrection, ypagecorrection; if (previewer != winpreview && previewer != mac && previewer != xpreview) { printf("\nWe now will preview the tree. The box that will be\n"); printf("plotted on the screen represents the boundary of the\n"); printf("final plotting surface. To see the preview, press on\n"); printf("the ENTER or RETURN key (you may need to do it twice).\n"); printf("When finished viewing it, press on that key again.\n"); } oldpenchange = penchange; oldxsize = xsize; oldysize = ysize; oldxunitspercm = xunitspercm; oldyunitspercm = yunitspercm; oldxcorner = xcorner; oldycorner = ycorner; oldxmargin = xmargin; oldymargin = ymargin; oldhpmargin = hpmargin; oldvpmargin = vpmargin; oldplotter = plotter; plotter = previewer; if (previewer != winpreview && previewer != mac && previewer != xpreview) { #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); (void)getchar(); if (ch == '\n') ch = ' '; } plotrparms(ntips); initplotter(ntips,fn); xcorner += 0.05 * xsize; ycorner += 0.05 * ysize; xsize *= 0.9; ysize *= 0.9; (*scale) = ysize / oldysize; if (xsize / oldxsize < (*scale)) (*scale) = xsize / oldxsize; xpagecorrection = oldxsize / pagex; ypagecorrection = oldysize / pagey; (*xo) = (xcorner + (xsize - oldxsize * (*scale)) / 2.0) / (*scale); (*yo) = (ycorner + (ysize - oldysize * (*scale)) / 2.0) / (*scale); xscale = (*scale) * xunitspercm; yscale = (*scale) * yunitspercm; xmargin *= (*scale); ymargin *= (*scale); hpmargin *= (*scale); vpmargin *= (*scale); xpag = (int)((pagex-hpmargin-0.01)/(paperx - hpmargin))+1; ypag = (int)((pagey-vpmargin-0.01)/(papery - vpmargin))+1; /* draw the outer borders */ plot(penup, xscale * (*xo), yscale * (*yo)); plot(pendown, xscale * (*xo), yscale * ((*yo) + pagey * ypagecorrection)); plot(pendown, xscale * ((*xo) + pagex * xpagecorrection), yscale * ((*yo) + pagey * ypagecorrection)); plot(pendown, xscale * ((*xo) + pagex * xpagecorrection), yscale * (*yo)); plot(pendown, xscale * (*xo), yscale * (*yo)); /* we've done the extent, now draw the dividing lines: */ for (i=0; itype != ClientMessage || event->xclient.data.l[0] != wm_delete_window) return; winaction=changeparms; close_x(); } void close_x() { shell=NULL; XtAppSetExitFlag(appcontext); XtUnrealizeWidget(toplevel); XtDestroyWidget(toplevel); XtCloseDisplay(display); } void dismiss_dialog() { XtDestroyWidget(shell); shell=NULL; } void do_dialog() { if (shell != NULL) return; shell=XtCreatePopupShell("About",transientShellWidgetClass, toplevel,NULL,0); dialog=XtCreateManagedWidget("dialog",dialogWidgetClass,shell,NULL,0); XawDialogAddButton(dialog,"Dismiss",(XtCallbackProc)dismiss_dialog ,NULL); XtRealizeWidget(shell); wm_delete_window2 = XInternAtom(XtDisplay(shell), "WM_DELETE_WINDOW",0); XSetWMProtocols(XtDisplay(shell),XtWindow(shell), &wm_delete_window2,1); XtMapWidget(shell); } static XtActionsRec draw_actions[] = { { "quit", (XtActionProc)delete_callback }, }; void init_x() { Widget paned; Widget menubar; Widget menuButton; Widget menu; Widget entry; Widget drawing_area; XSetWindowAttributes winAttr; Arg wargs[7]; unsigned int dummy1,dummy2; Window dummy3; XGCValues values; toplevel=XtAppInitialize(&appcontext,"phylip",NULL,0,&nargc,nargv,res, NULL,0); /* make the top level window*/ /* this is for closing the window*/ XtAppAddActions(appcontext,draw_actions,1); XtOverrideTranslations(toplevel, XtParseTranslationTable ("WM_PROTOCOLS: quit()")); /* create a form add it to toplevel */ paned = XtCreateManagedWidget("paned",formWidgetClass,toplevel,NULL,0); /* create a menubar add it to the form*/ menubar = XtCreateManagedWidget("menubar",boxWidgetClass,paned,NULL,0); /* create an area to draw in with a size relative to the size of the screen*/ XGetGeometry(XtDisplay(toplevel),XDefaultRootWindow(XtDisplay(toplevel)), &dummy3,&x,&y,&width,&height,&dummy1,&dummy2); height *= 0.7; width = 0.75 * height; XtSetArg(wargs[0],XtNwidth,width); XtSetArg(wargs[1],XtNheight,height); drawing_area = XtCreateManagedWidget("drawing_area",coreWidgetClass, paned,wargs,2); /* create a menubuton add it to the menubar*/ menuButton = XtCreateManagedWidget ("File",menuButtonWidgetClass, menubar,NULL,0); /* create a menu add it to the menubutton */ menu = XtCreatePopupShell("menu",simpleMenuWidgetClass,menuButton,NULL,0); entry=XtCreateManagedWidget("Plot",smeBSBObjectClass,menu,NULL,0); XtAddCallback(entry,XtNcallback,plot_callback,NULL); entry=XtCreateManagedWidget("Change Parameters",smeBSBObjectClass, menu,NULL,0); XtAddCallback(entry,XtNcallback,change_callback,NULL); entry=XtCreateManagedWidget("Quit",smeBSBObjectClass,menu,NULL,0); XtAddCallback(entry,XtNcallback,quit_callback,NULL); menuButton = XtCreateManagedWidget("Help",menuButtonWidgetClass, menubar,NULL,0); menu = XtCreatePopupShell("menu",simpleMenuWidgetClass,menuButton,NULL,0); entry=XtCreateManagedWidget("About",smeBSBObjectClass,menu,NULL,0); XtAddCallback(entry,XtNcallback,about_callback,NULL); /* realize the widgets */ XtRealizeWidget(toplevel); wm_delete_window = XInternAtom(XtDisplay(toplevel), "WM_DELETE_WINDOW",0); XSetWMProtocols(XtDisplay(toplevel),XtWindow(toplevel), &wm_delete_window,1); values.foreground=BlackPixel(XtDisplay(toplevel),0); gc1=XCreateGC (XtDisplay (toplevel), XtWindow (drawing_area), GCForeground,&values); mainwin=XtWindow(drawing_area); XtAddEventHandler(drawing_area,ExposureMask ,FALSE, (XtEventHandler)redraw,NULL); XtAddEventHandler(toplevel,StructureNotifyMask,FALSE, (XtEventHandler)redraw,NULL); display=XtDisplay(toplevel); winAttr.backing_store = Always; winAttr.save_under=1; XChangeWindowAttributes(display,mainwin,CWBackingStore|CWSaveUnder,&winAttr); XGetGeometry(display,mainwin,&DefaultRootWindow(display), &x,&y,&width,&height,&dummy1,&dummy2); } #endif ./arbsrc_9167/GDE/PHYLIP/drawgram.c0000644012664100000130000013144211213220011016477 0ustar arb_buildcoders #include "draw.h" /* Version 3.6. Copyright (c) 1986-2002 by Joseph Felsenstein and Christopher A. Meacham. Additional code written by Hisashi Horino, Sean Lamont, Andrew Keefe, Daniel Fineman, and Akiko Fuseki. Permission is granted to copy, distribute, and modify this program provided that (1) this copyright message is not removed and (2) no fee is charged for this program. */ #define gap 0.5 /* distance in character heights between the end of a branch and the start of the name */ FILE *plotfile; char pltfilename[FNMLNGTH]; char trefilename[FNMLNGTH]; char *progname; long nextnode, strpwide, strpdeep, strpdiv, strptop, strpbottom, payge, numlines, hpresolution, iteration; boolean preview, previewing, dotmatrix, haslengths, uselengths, empty, rescaled, firstscreens, pictbold, pictitalic, pictshadow, pictoutline, multiplot, finished; double xmargin, ymargin, topoflabels, bottomoflabels, rightoflabels, leftoflabels, tipspacing,maxheight, scale, xscale, yscale, xoffset, yoffset, nodespace, stemlength, treedepth, xnow, ynow, xunitspercm, yunitspercm, xsize, ysize, xcorner, ycorner, labelheight,labelrotation,expand, rootx, rooty, bscale, xx0, yy0, fontheight, maxx, minx, maxy, miny; double pagex, pagey, paperx, papery, hpmargin, vpmargin; double *textlength, *firstlet; striptype stripe; plottertype plotter, oldplotter, previewer; growth grows; treestyle style; node *root; pointarray nodep; pointarray treenode; fonttype font; long filesize; Char ch, resopts; double trweight; /* starting here, needed to make sccs version happy */ boolean goteof; node *grbg; long *zeros; /* ... down to here */ enum {yes, no} penchange, oldpenchange; static enum {weighted, intermediate, centered, inner, vshaped} nodeposition; winactiontype winaction; #ifdef X String res[]= { "*.input: True", "*.menubar.orientation: horizontal", "*.menubar.borderWidth: 0", "*.drawing_area.background: #CCFFFF", "*.drawing_area.foreground: #000000", "*.menubar.right: ChainLeft", "*.menubar.bottom: ChainTop", "*.menubar.top: ChainTop", "*.menubar.left: ChainLeft", "*.drawing_area.fromVert: menubar", "*.drawing_area.top: ChainTop", "*.drawing_area.bottom: ChainBottom", "*.drawing_area.left: ChainLeft", "*.drawing_area.right: ChainRight", "*.dialog.label: Drawgram -- Rooted tree plotting program\\n\\n\\nPHYLIP version 3.6. (c) Copyright 1993-2002 by The University of Washington.\\nWritten by Joseph Felsenstein, Andrew Keeffe, Akiko Fuseki, Sean Lamont\\nand Dan Fineman\\nPermission is granted to copy and use this program provided no fee is\\ncharged for it and provided that this copyright notice is not removed.", NULL }; #endif #ifndef OLDC /* function prototypes */ void initdrawgramnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void initialparms(void); char showparms(void); void getparms(char); void calctraverse(node *, double, double *); void calculate(void); void rescale(void); void setup_environment(Char *argv[], boolean *); void user_loop(boolean *); /* function prototypes */ #endif void initdrawgramnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ long i; boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; for (i=0;inayme[i] = '\0'; nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); (*p)->index = nodei; break; case tip: (*ntips)++; gnu(grbg, p); nodep[(*ntips) - 1] = *p; setupnode(*p, *ntips); (*p)->tip = true; (*p)->naymlength = len ; strncpy ((*p)->nayme, str, MAXNCH); break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); if (!minusread) (*p)->oldlen = valyew / divisor; else (*p)->oldlen = 0.0; break; case hsnolength: haslengths = false; break; default: /* cases hslength,treewt,unittrwt,iter */ break; /* should never occur */ } } /* initdrawgramnode */ void initialparms() { /* initialize parameters */ plotter = DEFPLOTTER; previewer = DEFPREV; paperx=20.6375; pagex=20.6375; papery=26.9875; pagey=26.9875; strcpy(fontname,"Times-Roman"); plotrparms(spp); /* initial, possibly bogus, parameters */ style = phenogram; grows = horizontal; labelrotation = 90.0; nodespace = 3.0; stemlength = 0.05; treedepth = 0.5 / 0.95; rescaled = true; bscale = 1.0; uselengths = haslengths; if (uselengths) nodeposition = weighted; else nodeposition = centered; xmargin = 0.08 * xsize; ymargin = 0.08 * ysize; preview = true; hpmargin = 0.02*pagex; vpmargin = 0.02*pagey; } /* initialparms */ char showparms() { char input[32]; Char ch; char cstr[32]; if (!firstscreens) clearit(); printf("\nRooted tree plotting program version %s\n\n", VERSION); printf("Here are the settings: \n"); printf(" 0 Screen type (IBM PC, ANSI): %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" P Final plotting device: "); switch (plotter) { case lw: printf(" Postscript printer\n"); break; case pcl: printf(" HP Laserjet compatible printer (%d DPI)\n", (int) hpresolution); break; case epson: printf(" Epson dot-matrix printer\n"); break; case pcx: printf(" PCX file for PC Paintbrush drawing program (%s)\n", (resopts == 1) ? "EGA 640x350" : (resopts == 2) ? "VGA 800x600" : "VGA 1024x768"); break; case pict: printf(" Macintosh PICT file for drawing program\n"); break; case idraw: printf(" Idraw drawing program\n"); break; case fig: printf(" Xfig drawing program\n"); break; case hp: printf(" HPGL graphics language for HP plotters\n"); break; case xbm: printf(" X Bitmap file format (%d by %d resolution)\n",(int)xsize,(int)ysize); break; case bmp: printf(" MS-Windows Bitmap (%d by %d resolution)\n",(int)xsize,(int)ysize); break; case gif: printf(" Compuserve GIF format (%d by %d)\n",(int)xsize,(int)ysize); break; case ibm: printf(" IBM PC graphics (CGA, EGA, or VGA)\n"); break; case tek: printf(" Tektronix graphics screen\n"); break; case decregis: printf(" DEC ReGIS graphics (VT240 or DECTerm)\n"); break; case houston: printf(" Houston Instruments plotter\n"); break; case toshiba: printf(" Toshiba 24-pin dot matrix printer\n"); break; case citoh: printf(" Imagewriter or C.Itoh/TEC/NEC 9-pin dot matrix printer\n"); break; case oki: printf(" old Okidata 9-pin dot matrix printer\n"); break; case ray: printf(" Rayshade ray-tracing program file format\n"); break; case pov: printf(" POV ray-tracing program file format\n"); break; case vrml: printf(" VRML, Virtual Reality Markup Language\n"); break; case mac: case other: printf(" (Current output device unannounced)\n"); break; default: /*case xpreview not handled */ break; } printf(" V Previewing device: "); if (!preview) printf(" (none)\n"); else { switch (previewer) { case ibm: printf(" IBM PC graphics (CGA, EGA, or VGA)\n"); break; case xpreview: printf(" X Windows display\n"); break; case tek: printf(" Tektronix graphics screen\n"); break; case mac: printf(" Macintosh graphics screen\n"); break; case decregis: printf(" DEC ReGIS graphics (VT240 or DECTerm)\n"); break; case winpreview: printf(" MS Windows display\n"); break; case other: printf(" (Current previewing device unannounced)\n"); break; default: /* all other cases */ break; } } printf(" H Tree grows: "); printf((grows == vertical) ? "Vertically\n" : "Horizontally\n"); printf(" S Tree style: %s\n", (style == cladogram) ? "Cladogram" : (style == phenogram) ? "Phenogram" : (style == curvogram) ? "Curvogram" : (style == eurogram) ? "Eurogram" : (style == swoopogram) ? "Swoopogram" : "Circular"); printf(" B Use branch lengths: "); if (haslengths) { if (uselengths) printf("Yes\n"); else printf("No\n"); } else printf("(no branch lengths available)\n"); if (style != circular) { printf(" L Angle of labels:"); if (labelrotation < 10.0) printf("%5.1f\n", labelrotation); else printf("%6.1f\n", labelrotation); } printf(" R Scale of branch length:"); if (rescaled) printf(" Automatically rescaled\n"); else printf(" Fixed:%6.2f cm per unit branch length\n", bscale); printf(" D Depth/Breadth of tree:%6.2f\n", treedepth); printf(" T Stem-length/tree-depth:%6.2f\n", stemlength); printf(" C Character ht / tip space:%8.4f\n", 1.0 / nodespace); printf(" A Ancestral nodes: %s\n", (nodeposition == weighted) ? "Weighted" : (nodeposition == intermediate) ? "Intermediate" : (nodeposition == centered) ? "Centered" : (nodeposition == inner) ? "Inner" : "So tree is V-shaped"); if (plotter == lw || plotter == idraw || (plotter == fig && (labelrotation == 90.0 || labelrotation == 180.0 || labelrotation == 270.0 || labelrotation == 0.0)) || (plotter == pict && ((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0)))) printf(" F Font: %s\n",fontname); if ((plotter == pict && ((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0))) && (strcmp(fontname,"Hershey") != 0)) printf(" Q Pict Font Attributes: %s, %s, %s, %s\n", (pictbold ? "Bold" : "Medium"), (pictitalic ? "Italic" : "Regular"), (pictshadow ? "Shadowed": "Unshadowed"), (pictoutline ? "Outlined" : "Unoutlined")); if (plotter == ray) { printf(" M Horizontal margins:%6.2f pixels\n", xmargin); printf(" M Vertical margins:%6.2f pixels\n", ymargin); } else { printf(" M Horizontal margins:%6.2f cm\n", xmargin); printf(" M Vertical margins:%6.2f cm\n", ymargin); } printf(" # Pages per tree: "); /* Add 0.5 to clear up truncation problems. */ if (((int) ((pagex / paperx) + 0.5) == 1) && ((int) ((pagey / papery) + 0.5) == 1)) /* If we're only using one page per tree, */ printf ("one page per tree\n") ; else printf ("%.0f by %.0f pages per tree\n", (pagey-vpmargin) / (papery-vpmargin), (pagex-hpmargin) / (paperx-hpmargin)) ; for (;;) { printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); uppercase(&input[0]); ch=input[0]; if (plotter == idraw || plotter == lw) strcpy(cstr,"#Y0PVHSBLMRDTCAF"); else if (((plotter == fig) && (labelrotation == 0.0)) || (labelrotation == 90.0 ) || (labelrotation == 180.0) || (labelrotation == 270.0)) strcpy(cstr,"#Y0PVHSBLMRDTCAFQ"); else if (plotter == pict){ if (((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0))) strcpy(cstr,"#Y0PVHSBLMRDTCAFQ"); else strcpy(cstr,"#Y0PVHSBLMRDTCA"); } else strcpy(cstr,"#Y0PVHSBLMRDTCA"); if (strchr(cstr,ch)) break; printf(" That letter is not one of the menu choices. Type\n"); } return ch; } /* showparms */ void getparms(char numtochange) { /* get from user the relevant parameters for the plotter and diagram */ long loopcount; Char ch; char input[100]; boolean ok; int i, m, n; n = (int)((pagex-hpmargin-0.01)/(paperx-hpmargin)+1.0); m = (int)((pagey-vpmargin-0.01)/(papery-vpmargin)+1.0); switch (numtochange) { case '0': initterminal(&ibmpc, &ansi); break; case 'P': getplotter(); break; case 'V': getpreview(); break; case 'H': if (grows == vertical) grows = horizontal; else grows = vertical; break; case 'S': clearit() ; printf("What style tree is this to be (currently set to %s):\n", (style == cladogram) ? "Cladogram" : (style == phenogram) ? "Phenogram" : (style == curvogram) ? "Curvogram" : (style == eurogram) ? "Eurogram" : (style == swoopogram) ? "Swoopogram" : "Circular") ; printf(" C Cladogram -- v-shaped \n") ; printf(" P Phenogram -- branches are square\n") ; printf(" V Curvogram -- branches are 1/4 of an ellipse\n") ; printf(" E Eurogram -- branches angle outward, then up\n"); printf(" S Swoopogram -- branches curve outward then reverse\n") ; printf(" O Circular tree\n"); do { printf("\n Type letter of style to change to (C, P, V, E, S or O):\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); } while (ch != 'C' && ch != 'P' && ch != 'V' && ch != 'E' && ch != 'S' && ch != 'O'); switch (ch) { case 'C': style = cladogram; break; case 'P': style = phenogram; break; case 'E': style = eurogram; break; case 'S': style = swoopogram; break; case 'V': style = curvogram; break; case 'O': style = circular; treedepth = 1.0; break; } break; case 'B': if (haslengths) { uselengths = !uselengths; if (!uselengths) nodeposition = weighted; else nodeposition = intermediate; } else { printf("Cannot use lengths since not all of them exist\n"); uselengths = false; } break; case 'L': clearit(); printf("\n(Considering the tree as if it \"grew\" vertically:)\n"); printf("Are the labels to be plotted vertically (90),\n"); printf(" horizontally (0), or at a 45-degree angle?\n"); loopcount = 0; do { printf(" Choose an angle in degrees from 90 to 0:\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &labelrotation); getchar(); uppercase(&ch); countup(&loopcount, 10); } while (labelrotation < 0.0 && labelrotation > 90.0); break; case 'M': clearit(); printf("\nThe tree will be drawn to fit in a rectangle which has \n"); printf(" margins in the horizontal and vertical directions of:\n"); if (plotter == ray) { printf( "%6.2f pixels (horizontal margin) and%6.2f pixels (vertical margin)\n", xmargin, ymargin); } else { printf("%6.2f cm (horizontal margin) and%6.2f cm (vertical margin)\n", xmargin, ymargin); } putchar('\n'); loopcount = 0; do { if (plotter == ray) printf(" New value (in pixels) of horizontal margin?\n"); else printf(" New value (in cm) of horizontal margin?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &xmargin); getchar(); ok = ((unsigned)xmargin < xsize / 2.0); if (!ok) printf(" Impossible value. Please retype it.\n"); countup(&loopcount, 10); } while (!ok); loopcount = 0; do { if (plotter == ray) printf(" New value (in pixels) of vertical margin?\n"); else printf(" New value (in cm) of vertical margin?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &ymargin); getchar(); ok = ((unsigned)ymargin < ysize / 2.0); if (!ok) printf(" Impossible value. Please retype it.\n"); countup(&loopcount, 10); } while (!ok); break; case 'R': rescaled = !rescaled; if (!rescaled) { printf("Centimeters per unit branch length?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &bscale); getchar(); } break; case 'D': printf("New value of depth of tree as fraction of its breadth?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &treedepth); getchar(); break; case 'T': loopcount = 0; do { printf("New value of stem length as fraction of tree depth?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &stemlength); getchar(); countup(&loopcount, 10); } while ((unsigned)stemlength >= 0.9); break; case 'C': printf("New value of character height as fraction of tip spacing?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &nodespace); getchar(); nodespace = 1.0 / nodespace; break; case '#': loopcount = 0; for (;;){ clearit(); printf(" Page Specifications Submenu\n\n"); printf(" L Output size in pages: %.0f down by %.0f across\n", (pagey / papery), (pagex / paperx)); printf(" P Physical paper size: %1.5f by %1.5f cm\n",paperx,papery); printf(" O Overlap Region: %1.5f %1.5f cm\n",hpmargin,vpmargin); printf(" M main menu\n"); getstryng(input); ch = input[0]; uppercase(&ch); switch (ch){ case 'L': printf("Number of pages in height:\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); m = atoi(input); printf("Number of pages in width:\n"); getstryng(input); n = atoi(input); break; case 'P': printf("Paper Width (in cm):\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); paperx = atof(input); printf("Paper Height (in cm):\n"); getstryng(input); papery = atof(input); break; case 'O': printf("Horizontal Overlap (in cm):"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); hpmargin = atof(input); printf("Vertical Overlap (in cm):"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); vpmargin = atof(input); case 'M': break; default: printf("Please enter L, P, O , or M.\n"); break; } pagex = ((double)n * (paperx-hpmargin)+hpmargin); pagey = ((double)m * (papery-vpmargin)+vpmargin); if (ch == 'M') break; countup(&loopcount, 10); } break; case 'A': clearit(); printf("Should interior node positions:\n"); printf(" be Intermediate between their immediate descendants,\n"); printf(" Weighted average of tip positions\n"); printf(" Centered among their ultimate descendants\n"); printf(" iNnermost of immediate descendants\n"); printf(" or so that tree is V-shaped\n"); loopcount = 0; do { printf(" (type I, W, C, N or V):\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); countup(&loopcount, 10); } while (ch != 'I' && ch != 'W' && ch != 'C' && ch != 'N' && ch != 'V'); switch (ch) { case 'W': nodeposition = weighted; break; case 'I': nodeposition = intermediate; break; case 'C': nodeposition = centered; break; case 'N': nodeposition = inner; break; case 'V': nodeposition = vshaped; break; } break; case 'F': if (plotter == fig){ for (i=0;i<34;++i) printf("%s\n",figfontname(i)); loopcount = 0; for (;;){ printf("Fontname:"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(fontname); if (isfigfont(fontname)) break; printf("Invalid font name for fig.\n"); printf("Enter one of the following fonts or \"Hershey\" for default font\n"); countup(&loopcount, 10); } } else { printf("Enter font name or \"Hershey\" for the default font\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(fontname); } break; case 'Q': clearit(); loopcount = 0; do { printf("Italic? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictitalic = (input[0] == 'Y'); loopcount = 0; do { printf("Bold? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictbold = (input[0] == 'Y'); loopcount = 0; do { printf("Shadow? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictshadow = (input[0] == 'Y'); loopcount = 0; do { printf("Outline? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictoutline = (input[0] == 'Y');break; } } /* getparms */ void calctraverse(node *p, double lengthsum, double *tipx) { /* traverse to establish initial node coordinates */ double x1, y1, x2, y2, x3, x4, x5, w1, w2, sumwx, sumw, nodeheight; node *pp, *plast, *panc; if (p == root) nodeheight = 0.0; else if (uselengths) nodeheight = lengthsum + fabs(p->oldlen); else nodeheight = 1.0; if (nodeheight > maxheight) maxheight = nodeheight; if (p->tip) { p->xcoord = *tipx; p->tipsabove = 1; if (uselengths) p->ycoord = nodeheight; else p->ycoord = 1.0; *tipx += tipspacing; return; } sumwx = 0.0; sumw = 0.0; p->tipsabove = 0; pp = p->next; x3 = 0.0; do { calctraverse(pp->back, nodeheight, tipx); p->tipsabove += pp->back->tipsabove; sumw += pp->back->tipsabove; sumwx += pp->back->tipsabove * pp->back->xcoord; if (fabs(pp->back->xcoord - 0.5) < fabs(x3 - 0.5)) x3 = pp->back->xcoord; plast = pp; pp = pp->next; } while (pp != p); x1 = p->next->back->xcoord; x2 = plast->back->xcoord; y1 = p->next->back->ycoord; y2 = plast->back->ycoord; switch (nodeposition) { case weighted: w1 = y1 - p->ycoord; w2 = y2 - p->ycoord; if (w1 + w2 <= 0.0) p->xcoord = (x1 + x2) / 2.0; else p->xcoord = (w2 * x1 + w1 * x2) / (w1 + w2); break; case intermediate: p->xcoord = (x1 + x2) / 2.0; break; case centered: p->xcoord = sumwx / sumw; break; case inner: p->xcoord = x3; break; case vshaped: if (iteration > 1) { if (!(p == root)) { panc = nodep[p->back->index-1]; w1 = p->ycoord - panc->ycoord; w2 = y1 - p->ycoord; if (w1+w2 < 0.000001) x4 = (x1+panc->xcoord)/2.0; else x4 = (w1*x1+w2*panc->xcoord)/(w1+w2); w2 = y2 - p->ycoord; if (w1+w2 < 0.000001) x5 = (x2+panc->xcoord)/2.0; else x5 = (w1*x2+w2*panc->xcoord)/(w1+w2); if (panc->xcoord < p->xcoord) p->xcoord = x5; else p->xcoord = x4; /* debug if (p->xcoord < x1) p->xcoord = x1; else if (p->xcoord > x2) p->xcoord = x2; debug */ } else { if ((y1-2*p->ycoord+y2) < 0.000001) p->xcoord = (x1+x2)/2; else p->xcoord = ((y2-p->ycoord)*x1+(y1-p->ycoord))/(y1-2*p->ycoord+y2); } } break; } if (uselengths) { p->ycoord = nodeheight; return; } if (nodeposition != inner) { p->ycoord = (y1 + y2 - sqrt((y1 + y2) * (y1 + y2) - 4 * (y1 * y2 - (x2 - p->xcoord) * (p->xcoord - x1)))) / 2.0; /* this formula comes from the requirement that the vector from (x,y) to (x1,y1) be at right angles to that from (x,y) to (x2,y2) */ return; } if (fabs(x1 - 0.5) > fabs(x2 - 0.5)) { p->ycoord = y1 + x1 - x2; w1 = y2 - p->ycoord; } else { p->ycoord = y2 + x1 - x2; w1 = y1 - p->ycoord; } if (w1 < epsilon) p->ycoord -= fabs(x1 - x2); } /* calctraverse */ void calculate() { /* compute coordinates for tree */ double tipx; double sum, temp, maxtextlength, maxfirst=0, leftfirst, angle; double lef = 0.0, rig = 0.0, top = 0.0, bot = 0.0; double *firstlet, *textlength; long i; firstlet = (double *)Malloc(nextnode*sizeof(double)); textlength = (double *)Malloc(nextnode*sizeof(double)); for (i = 0; i < nextnode; i++) { nodep[i]->xcoord = 0.0; nodep[i]->ycoord = 0.0; if (nodep[i]->naymlength > 0) firstlet[i] = lengthtext(nodep[i]->nayme, 1L,fontname,font); else firstlet[i] = 0.0; } i = 0; do i++; while (!nodep[i]->tip); leftfirst = firstlet[i]; maxheight = 0.0; maxtextlength = 0.0; for (i = 0; i < nextnode; i++) { if (nodep[i]->tip) { textlength[i] = lengthtext(nodep[i]->nayme, nodep[i]->naymlength, fontname, font); if (textlength[i]-0.5*firstlet[i] > maxtextlength) { maxtextlength = textlength[i]-0.5*firstlet[i]; maxfirst = firstlet[i]; } } } maxtextlength = maxtextlength + 0.5*maxfirst; fontheight = heighttext(font,fontname); if (style == circular) { if (grows == vertical) angle = pi / 2.0; else angle = 2.0*pi; } else angle = pi * labelrotation / 180.0; maxtextlength /= fontheight; maxfirst /= fontheight; leftfirst /= fontheight; for (i = 0; i < nextnode; i++) { if (nodep[i]->tip) { textlength[i] /= fontheight; firstlet[i] /= fontheight; } } if (spp > 1) labelheight = 1.0 / (nodespace * (spp - 1)); else labelheight = 1.0 / nodespace; /* if (style == circular) labelheight = pi * labelheight; debug */ if (angle < pi / 6.0) tipspacing = (nodespace + cos(angle) * (maxtextlength - 0.5*maxfirst)) * labelheight; else if (spp > 1) { if (style == circular) { tipspacing = 1.0 / spp; } else tipspacing = 1.0 / (spp - 1.0); } else tipspacing = 1.0; finished = false; iteration = 1; do { if (style == circular) tipx = 1.0/(2.0*(double)spp); else tipx = 0.0; sum = 0.0; calctraverse(root, sum, &tipx); iteration++; } while ((nodeposition == vshaped) && (iteration < 4*spp)); rooty = root->ycoord; labelheight *= 1.0 - stemlength; for (i = 0; i < nextnode; i++) { if (rescaled) { if (style != circular) nodep[i]->xcoord *= 1.0 - stemlength; nodep[i]->ycoord = stemlength * treedepth + (1.0 - stemlength) * treedepth * (nodep[i]->ycoord - rooty) / (maxheight - rooty); nodep[i]->oldtheta = angle; } else { nodep[i]->xcoord = nodep[i]->xcoord * (maxheight - rooty) / treedepth; nodep[i]->ycoord = stemlength / (1 - stemlength) * (maxheight - rooty) + nodep[i]->ycoord; nodep[i]->oldtheta = angle; } } topoflabels = 0.0; bottomoflabels = 0.0; leftoflabels = 0.0; rightoflabels = 0.0; if (style == circular) { for (i = 0; i < nextnode; i++) { temp = nodep[i]->xcoord; if (grows == vertical) { nodep[i]->xcoord = (1.0+nodep[i]->ycoord * cos((1.5-2.0*temp)*pi)/treedepth)/2.0; nodep[i]->ycoord = (1.0+nodep[i]->ycoord * sin((1.5-2.0*temp)*pi)/treedepth)/2.0; nodep[i]->oldtheta = (1.5-2.0*temp)*pi; } else { nodep[i]->xcoord = (1.0+nodep[i]->ycoord * cos((1.0-2.0*temp)*pi)/treedepth)/2.0; nodep[i]->ycoord = (1.0+nodep[i]->ycoord * sin((1.0-2.0*temp)*pi)/treedepth)/2.0; nodep[i]->oldtheta = (1.0-2.0*temp)*pi; } } tipspacing *= 2.0*pi; } maxx = nodep[0]->xcoord; maxy = nodep[0]->ycoord; minx = nodep[0]->xcoord; if (style == circular) miny = nodep[0]->ycoord; else miny = 0.0; for (i = 1; i < nextnode; i++) { if (nodep[i]->xcoord > maxx) maxx = nodep[i]->xcoord; if (nodep[i]->ycoord > maxy) maxy = nodep[i]->ycoord; if (nodep[i]->xcoord < minx) minx = nodep[i]->xcoord; if (nodep[i]->ycoord < miny) miny = nodep[i]->ycoord; } if (style == circular) { for (i = 0; i < nextnode; i++) { if (nodep[i]->tip) { angle = nodep[i]->oldtheta; if (cos(angle) < 0.0) angle -= pi; top = (nodep[i]->ycoord - maxy) / labelheight + sin(nodep[i]->oldtheta); rig = (nodep[i]->xcoord - maxx) / labelheight + cos(nodep[i]->oldtheta); bot = (miny - nodep[i]->ycoord) / labelheight - sin(nodep[i]->oldtheta); lef = (minx - nodep[i]->xcoord) / labelheight - cos(nodep[i]->oldtheta); if (cos(nodep[i]->oldtheta) > 0) { if (sin(angle) > 0.0) top += sin(angle) * textlength[i]; top += sin(angle - 1.25 * pi) * gap * firstlet[i]; if (sin(angle) < 0.0) bot -= sin(angle) * textlength[i]; bot -= sin(angle - 0.75 * pi) * gap * firstlet[i]; if (sin(angle) > 0.0) rig += cos(angle - 0.75 * pi) * gap * firstlet[i]; else rig += cos(angle - 1.25 * pi) * gap * firstlet[i]; rig += cos(angle) * textlength[i]; if (sin(angle) > 0.0) lef -= cos(angle - 1.25 * pi) * gap * firstlet[i]; else lef -= cos(angle - 0.75 * pi) * gap * firstlet[i]; } else { if (sin(angle) < 0.0) top -= sin(angle) * textlength[i]; top += sin(angle + 0.25 * pi) * gap * firstlet[i]; if (sin(angle) > 0.0) bot += sin(angle) * textlength[i]; bot -= sin(angle - 0.25 * pi) * gap * firstlet[i]; if (sin(angle) > 0.0) rig += cos(angle - 0.25 * pi) * gap * firstlet[i]; else rig += cos(angle + 0.25 * pi) * gap * firstlet[i]; if (sin(angle) < 0.0) rig += cos(angle) * textlength[i]; if (sin(angle) > 0.0) lef -= cos(angle + 0.25 * pi) * gap * firstlet[i]; else lef -= cos(angle - 0.25 * pi) * gap * firstlet[i]; lef += cos(angle) * textlength[i]; } } if (top > topoflabels) topoflabels = top; if (bot > bottomoflabels) bottomoflabels = bot; if (rig > rightoflabels) rightoflabels = rig; if (lef > leftoflabels) leftoflabels = lef; } topoflabels *= labelheight; bottomoflabels *= labelheight; leftoflabels *= labelheight; rightoflabels *= labelheight; } if (style != circular) { topoflabels = labelheight * (1.0 + sin(angle) * (maxtextlength - 0.5 * maxfirst) + cos(angle) * 0.5 * maxfirst); rightoflabels = labelheight * (cos(angle) * (textlength[nextnode-1] - 0.5 * maxfirst) + sin(angle) * 0.5); leftoflabels = labelheight * (cos(angle) * leftfirst * 0.5 + sin(angle) * 0.5); } rooty = miny; free(firstlet); free(textlength); } /* calculate */ void rescale() { /* compute coordinates of tree for plot or preview device */ long i; double treeheight, treewidth, extrax, extray, temp; treeheight = maxy - miny; treewidth = maxx - minx; if (style == circular) { treewidth = 1.0; treeheight = 1.0; if (!rescaled) { if (uselengths) { labelheight *= (maxheight - rooty) / treedepth; topoflabels *= (maxheight - rooty) / treedepth; bottomoflabels *= (maxheight - rooty) / treedepth; leftoflabels *= (maxheight - rooty) / treedepth; rightoflabels *= (maxheight - rooty) / treedepth; treewidth *= (maxheight - rooty) / treedepth; } } } treewidth += rightoflabels + leftoflabels; treeheight += topoflabels + bottomoflabels; if (grows == vertical) { if (!rescaled) expand = bscale; else { expand = (xsize - 2 * xmargin) / treewidth; if ((ysize - 2 * ymargin) / treeheight < expand) expand = (ysize - 2 * ymargin) / treeheight; } extrax = (xsize - 2 * xmargin - treewidth * expand) / 2.0; extray = (ysize - 2 * ymargin - treeheight * expand) / 2.0; } else { if (!rescaled) expand = bscale; else { expand = (ysize - 2 * ymargin) / treewidth; if ((xsize - 2 * xmargin) / treeheight < expand) expand = (xsize - 2 * xmargin) / treeheight; } extrax = (xsize - 2 * xmargin - treeheight * expand) / 2.0; extray = (ysize - 2 * ymargin - treewidth * expand) / 2.0; } for (i = 0; i < nextnode; i++) { nodep[i]->xcoord = expand * (nodep[i]->xcoord + leftoflabels); nodep[i]->ycoord = expand * (nodep[i]->ycoord + bottomoflabels); if ((style != circular) && (grows == horizontal)) { temp = nodep[i]->ycoord; nodep[i]->ycoord = expand * treewidth - nodep[i]->xcoord; nodep[i]->xcoord = temp; } nodep[i]->xcoord += xmargin + extrax; nodep[i]->ycoord += ymargin + extray; } if (style == circular) { xx0 = xmargin+extrax+expand*(leftoflabels + 0.5); yy0 = ymargin+extray+expand*(bottomoflabels + 0.5); } else if (grows == vertical) rooty = ymargin + extray; else rootx = xmargin + extrax; } /* rescale */ void plottree(node *p, node *q) { /* plot part or all of tree on the plotting device */ long i; double x00=0, y00=0, x1, y1, x2, y2, x3, y3, x4, y4, cc, ss, f, g, fract=0, minny, miny; node *pp; x2 = xscale * (xoffset + p->xcoord); y2 = yscale * (yoffset + p->ycoord); if (style == circular) { x00 = xscale * (xx0 + xoffset); y00 = yscale * (yy0 + yoffset); } if (p != root) { x1 = xscale * (xoffset + q->xcoord); y1 = yscale * (yoffset + q->ycoord); switch (style) { case cladogram: plot(penup, x1, y1); plot(pendown, x2, y2); break; case phenogram: plot(penup, x1, y1); if (grows == vertical) plot(pendown, x2, y1); else plot(pendown, x1, y2); plot(pendown, x2, y2); break; case curvogram: plot(penup, x1, y1) ; curvespline(x1,y1,x2,y2,(boolean)(grows == vertical),20); break; case eurogram: plot(penup, x1, y1); if (grows == vertical) plot(pendown, x2, (2 * y1 + y2) / 3); else plot(pendown, (2 * x1 + x2) / 3, y2); plot(pendown, x2, y2); break; case swoopogram: plot(penup, x1, y1); if ((grows == vertical && fabs(y1 - y2) >= epsilon) || (grows == horizontal && fabs(x1 - x2) >= epsilon)) { if (grows == vertical) miny = p->ycoord; else miny = p->xcoord; pp = q->next; while (pp != q) { if (grows == vertical) minny = pp->back->ycoord; else minny = pp->back->xcoord; if (minny < miny) miny = minny; pp = pp->next; } if (grows == vertical) miny = yscale * (yoffset + miny); else miny = xscale * (xoffset + miny); if (grows == vertical) fract = 0.3333 * (miny - y1) / (y2 - y1); else fract = 0.3333 * (miny - x1) / (x2 - x1); } if ((grows == vertical && fabs(y1 - y2) >= epsilon) || (grows == horizontal && fabs(x1 - x2) >= epsilon)) { if (grows == vertical) miny = p->ycoord; else miny = p->xcoord; pp = q->next; while (pp != q) { if (grows == vertical) minny = pp->back->ycoord; else minny = pp->back->xcoord; if (minny < miny) miny = minny; pp = pp->next; } if (grows == vertical) miny = yscale * (yoffset + miny); else miny = xscale * (xoffset + miny); if (grows == vertical) fract = 0.3333 * (miny - y1) / (y2 - y1); else fract = 0.3333 * (miny - x1) / (x2 - x1); } swoopspline(x1,y1,x1+fract*(x2-x1),y1+fract*(y2-y1), x2,y2,(boolean)(grows != vertical),segments); break; case circular: plot(penup, x1, y1); if (fabs(x1-x00)+fabs(y1-y00) > 0.00001) { g = ((x1-x00)*(x2-x00)+(y1-y00)*(y2-y00)) /sqrt(((x1-x00)*(x1-x00)+(y1-y00)*(y1-y00)) *((x2-x00)*(x2-x00)+(y2-y00)*(y2-y00))); if (g > 1.0) g = 1.0; if (g < -1.0) g = -1.0; f = acos(g); if ((x2-x00)*(y1-y00)>(x1-x00)*(y2-y00)) f = -f; if (fabs(g-1.0) > 0.0001) { cc = cos(f/segments); ss = sin(f/segments); x3 = x1; y3 = y1; for (i = 1; i <= segments; i++) { x4 = x00 + cc*(x3-x00) - ss*(y3-y00); y4 = y00 + ss*(x3-x00) + cc*(y3-y00); x3 = x4; y3 = y4; plot(pendown, x3, y3); } } } plot(pendown, x2, y2); break; } } else { if (style == circular) { x1 = x00; y1 = y00; } else { if (grows == vertical) { x1 = xscale * (xoffset + p->xcoord); y1 = yscale * (yoffset + rooty); } else { x1 = xscale * (xoffset + rootx); y1 = yscale * (yoffset + p->ycoord); } } plot(penup, x1, y1); plot(pendown, x2, y2); } if (p->tip) return; pp = p->next; while (pp != p) { plottree(pp->back, p); pp = pp->next; } } /* plottree */ void plotlabels(char *fontname) { long i; double compr, dx = 0, dy = 0, labangle, cosl, sinl, cosv, sinv, vec; boolean left, right; node *lp; double *firstlet; firstlet = (double *)Malloc(nextnode*sizeof(double)); textlength = (double *)Malloc(nextnode*sizeof(double)); compr = xunitspercm / yunitspercm; if (penchange == yes) changepen(labelpen); for (i = 0; i < nextnode; i++) { if (nodep[i]->tip) { lp = nodep[i]; firstlet[i] = lengthtext(nodep[i]->nayme,1L,fontname,font) /fontheight; textlength[i] = lengthtext(nodep[i]->nayme, nodep[i]->naymlength, fontname, font)/fontheight; labangle = nodep[i]->oldtheta; if (cos(labangle) < 0.0) labangle += pi; cosl = cos(labangle); sinl = sin(labangle); vec = sqrt(1.0+firstlet[i]*firstlet[i]); cosv = firstlet[i]/vec; sinv = 1.0/vec; if (style == circular) { right = cos(nodep[i]->oldtheta) > 0.0; left = !right; if (right) { dx = labelheight * expand * cos(nodep[i]->oldtheta); dy = labelheight * expand * sin(nodep[i]->oldtheta); dx -= labelheight * expand * 0.5 * vec * (cosl*sinv-sinl*cosv); dy -= labelheight * expand * 0.5 * vec * (sinl*sinv+cosl*cosv); } if (left) { dx = labelheight * expand * cos(nodep[i]->oldtheta); dy = labelheight * expand * sin(nodep[i]->oldtheta); dx -= labelheight * expand * textlength[i] * cosl; dy -= labelheight * expand * textlength[i] * sinl; dx += labelheight * expand * 0.5 * vec * (cosl*cosv+sinl*sinv); dy -= labelheight * expand * 0.5 * vec * (-sinl*cosv+cosl*sinv); } } else { dx = labelheight * expand * cos(nodep[i]->oldtheta); dy = labelheight * expand * sin(nodep[i]->oldtheta); dx += labelheight * expand * 0.5 * vec * (cosl*cosv+sinl*sinv); dy += labelheight * expand * 0.5 * vec * (-sinl*cosv+cosl*sinv); } if (style == circular) { plottext(lp->nayme, lp->naymlength, labelheight * expand * xscale / compr, compr, xscale * (lp->xcoord + dx + xoffset), yscale * (lp->ycoord + dy + yoffset), 180 * (-labangle) / pi, font,fontname); } else { if (grows == vertical) plottext(lp->nayme, lp->naymlength, labelheight * expand * xscale / compr, compr, xscale * (lp->xcoord + dx + xoffset), yscale * (lp->ycoord + dy + yoffset), -labelrotation, font,fontname); else plottext(lp->nayme, lp->naymlength, labelheight * expand * yscale, compr, xscale * (lp->xcoord + dy + xoffset), yscale * (lp->ycoord - dx + yoffset), 90.0 - labelrotation, font,fontname); } } } if (penchange == yes) changepen(treepen); free(firstlet); free(textlength); } /* plotlabels */ void setup_environment(Char *argv[], boolean *canbeplotted) { boolean firsttree; /* Set up all kinds of fun stuff */ #ifdef MAC OSErr retcode; FInfo fndrinfo; macsetup("Drawgram","Preview"); #endif #ifdef TURBOC if ((registerbgidriver(EGAVGA_driver) <0) || (registerbgidriver(Herc_driver) <0) || (registerbgidriver(CGA_driver) <0)){ printf("Graphics error: %s ",grapherrormsg(graphresult())); exit(-1);} #endif openfile(&plotfile,PLOTFILE,"plot file", "w",argv[0],pltfilename); openfile(&intree,INTREE,"input tree file", "r",argv[0],trefilename); printf("DRAWGRAM from PHYLIP version %s\n",VERSION); printf("Reading tree ... \n"); firsttree = true; allocate_nodep(&nodep, &intree, &spp); treeread (intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdrawgramnode); root->oldlen = 0.0; printf("Tree has been read.\n"); printf("Loading the font .... \n"); loadfont(font,argv[0]); printf("Font loaded.\n"); previewing = false; ansi = ANSICRT; ibmpc = IBMCRT; firstscreens = true; initialparms(); (*canbeplotted) = false; } /* setup_environment */ void user_loop(boolean *canbeplotted) { char input_char; long stripedepth; while (!(*canbeplotted)) { do { input_char=showparms(); firstscreens = false; if (input_char != 'Y') getparms(input_char); } while (input_char != 'Y'); if (dotmatrix) { stripedepth = allocstripe(stripe,(strpwide/8), ((long)(yunitspercm * ysize))); strpdeep = stripedepth; strpdiv = stripedepth; } plotrparms(spp); numlines = dotmatrix ? ((long)floor(yunitspercm * ysize + 0.5) / strpdeep) :1; xscale = xunitspercm; yscale = yunitspercm; calculate(); rescale(); (*canbeplotted) = true; if (preview) { previewing = true; (*canbeplotted) = plotpreview(fontname,&xoffset,&yoffset, &scale,spp,root); } else { /*(*canbeplotted) = plot_without_preview(fontname,&xoffset,&yoffset, &scale,spp,root);*/ (*canbeplotted)=true; } if ((previewer == winpreview || previewer == xpreview || previewer == mac) && (winaction == quitnow)) { (*canbeplotted) = true; } } } /* user_loop */ int main(int argc, Char *argv[]) { boolean canbeplotted; #ifdef MAC OSErr retcode; FInfo fndrinfo; SIOUXSetTitle("\pPHYLIP: Drawtree"); argv[0] = "Drawgram"; #endif grbg = NULL; progname = argv[0]; #ifdef X nargc=argc; nargv=argv; #endif init(argc, argv); setup_environment(argv, &canbeplotted); user_loop(&canbeplotted); if (!((previewer == winpreview || previewer == xpreview || previewer == mac) && (winaction == quitnow))) { previewing = false; initplotter(spp,fontname); numlines = dotmatrix ? ((long)floor(yunitspercm * ysize + 0.5)/strpdeep) : 1; if (plotter != ibm) printf("\nWriting plot file ...\n"); drawit(fontname,&xoffset,&yoffset,numlines,root); finishplotter(); } printf("\nPlot written to file \"%s\"\n\n", pltfilename); FClose(plotfile); FClose(intree); #ifdef MAC if (plotter == pict){ retcode=GetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo); fndrinfo.fdType='PICT'; fndrinfo.fdCreator='MDRW'; retcode=SetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo);} if (plotter == lw){ retcode=GetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo); fndrinfo.fdType='TEXT'; retcode=SetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo);} #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif exit(0); } ./arbsrc_9167/GDE/PHYLIP/draw.h0000644012664100000130000001211011213220011015623 0ustar arb_buildcoders #include "phylip.h" #ifdef X #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #endif #ifdef MAC #include "interface.h" #endif /* Added by Dan F. for bmp code */ #include "math.h" #define DEFAULT_STRIPE_HEIGHT 20 #define maxnodes 1200 #define minus '-' #define stripewidth 3000L #define maxstripedepth 3500 #define fontsize 3800 #define pi 3.1415926535897932384626433 #define epsilond 0.00001 #define ebcdic EBCDIC #define segments 40 #define xstart 10 #define ystart 35 #define LF 10 #define CR 13 #define escape (ebcdic ? '\'' : '\033') #define null '\000' #define AFMDIR "/usr/lib/transcript/" /* note trailing slash */ typedef unsigned char byte; /*typedef char byte; */ typedef enum {treepen, labelpen} pentype; typedef enum {lw,hp,tek,ibm,mac,houston,decregis,epson,oki,fig, citoh,toshiba,pcx,pcl,pict,ray,pov,xpreview,xbm,bmp, gif,idraw,vrml,winpreview,other} plottertype; typedef enum {vertical, horizontal} growth; typedef enum {cladogram,phenogram,curvogram, eurogram,swoopogram,circular} treestyle; typedef enum {penup,pendown} pensttstype; typedef enum {plotnow, changeparms, quitnow} winactiontype; typedef short fonttype[fontsize]; typedef Char *striparray; typedef striparray striptype[maxstripedepth]; struct LOC_plottext { /* Local variables for plottext: */ double height, compress; short *font; short coord; double heightfont, xfactor, yfactor, xfont, yfont, xplot, yplot, sinslope, cosslope, xx, yy; pensttstype penstatus; } ; typedef struct colortype { const char *name; double red, green, blue; } colortype; typedef struct vrmllighttype { double intensity, x, y, z; } vrmllighttype; double lengthtext(char *, long, char *, fonttype); double heighttext(fonttype, char *); void plotrparms(long ntips); void clearit(void); void getplotter(void); void getpreview(void); const char *figfontname(int id); boolean isfigfont(char *); void plot(pensttstype, double, double); void curvespline(double, double, double, double, boolean, long); void swoopspline(double x1, double y1, double x2, double y2, double x3, double y3, boolean sense, long segs); void changepen(pentype pen); void plottext(Char *pstring,long nchars,double height_,double cmpress2, double x,double y,double slope,short *font_,char *fontname); void loadfont(short *font, char *application); long allocstripe(striptype stripe, long x, long y); boolean plotpreview(char *, double *, double *, double *, long , node *); void initplotter(long ntips, char *fontname); void drawit(char *fontname, double *xoffset, double *yoffset, long numlines, node *root); void finishplotter(void); void write_bmp_header(FILE *, int, int); void turn_rows(byte *, int, int); void write_full_pic(byte *, int); void translate_stripe_to_bmp(striptype *stripe, byte *full_pic, int increment, int width, int div, int *total_bytes); void plottree(node *, node *); void plotlabels(char *fontname); void pout(long); double computeAngle(double oldx, double oldy, double newx, double newy); boolean plot_without_preview(char *, double *, double *, double *, long, node *); /* For povray, added by Dan F. */ #define TREE_TEXTURE "T_Tree\0" #define NAME_TEXTURE "T_Name\0" #ifdef X Display *display; /* the X display */ extern Window mainwin; /* the main display window */ int x, y; /* the corner of the window */ unsigned int width, height; /* the width and height of the window */ #define FONT "-*-new century schoolbook-medium-r-*-*-14-*" char *fontrsc; /* the font resource */ XFontStruct *fontst; /* the font strcture for the font */ XGCValues gcv; /* graphics context values */ GC gc1; /* a graphics context */ XtAppContext appcontext; Widget toplevel; int nargc; char** nargv; extern String res[16]; #define DEFGEOMETRY "600x400+20+50" #endif #define LARGE_BUF_LENGTH 500 extern char fontname[LARGE_BUF_LENGTH]; /* the font name to use */ #ifdef WIN32 #define DEFPLOTTER lw #define DEFPREV winpreview #endif #ifdef DOS #define DEFPLOTTER lw #define DEFPREV ibm #endif #ifdef MAC #define DEFPLOTTER pict #define DEFPREV mac #endif #ifdef VMS #define DEFPLOTTER lw #define DEFPREV decregis #endif #ifndef DOS #ifndef MAC #ifndef VMS #ifndef WIN32 #define DEFPLOTTER lw #ifdef X #define DEFPREV xpreview #endif #ifndef X #define DEFPREV tek #endif #endif #endif #endif #endif /* Define SEEK_SET (needed for fseek()) for machines that haven't got it already, */ #ifndef SEEK_SET #define SEEK_SET 0 #endif ./arbsrc_9167/GDE/PHYLIP/drawtree.c0000644012664100000130000022645411213220011016520 0ustar arb_buildcoders #include "draw.h" /* Version 3.6. Copyright (c) 1986-2002 by the University of Washington and Written by Joseph Felsenstein and Christopher A. Meacham. Additional code written by Sean Lamont, Andrew Keefe, Hisashi Horino and Akiko Fuseki. Permission is granted to copy, distribute, and modify this program provided that (1) this copyright message is not removed and (2) no fee is charged for this program. */ #define GAP 0.5 #define MAXITERATIONS 100 #define MINIMUMCHANGE 0.0001 /* added - danieyek 990129 */ /* When 2 Nodes are on top of each other, this is the max. force that's allowed. */ #ifdef INFINITY #undef INFINITY #endif #define INFINITY (double) 9999999999.0 #ifdef MAC #undef maxnodes #define maxnodes 500 /* debug should this be 250? for 68k Macs? */ #endif typedef enum {fixed, radial, along, middle} labelorient; FILE *plotfile; char pltfilename[FNMLNGTH]; long nextnode, strpwide, strpdeep, strptop, strpbottom, payge, numlines,hpresolution; double xmargin, ymargin, topoflabels, rightoflabels, leftoflabels, bottomoflabels, ark, maxx, maxy, minx, miny, scale, xscale, yscale, xoffset, yoffset, charht, xnow, ynow, xunitspercm, yunitspercm, xsize, ysize, xcorner, ycorner,labelheight, labelrotation, treeangle, expand, bscale, maxchange; boolean canbeplotted, preview, previewing, dotmatrix,haslengths, uselengths, regular, rotate, empty, rescaled, notfirst, improve, nbody, firstscreens, labelavoid; boolean pictbold,pictitalic,pictshadow,pictoutline; double textlength[maxnodes], firstlet[maxnodes]; striptype stripe; plottertype plotter, oldplotter, previewer; growth grows; labelorient labeldirec; node *root, *where; pointarray nodep; fonttype font; enum { yes, no } penchange, oldpenchange; char ch,resopts; char *progname; long filesize; long strpdiv; double pagex,pagey,paperx,papery,hpmargin,vpmargin; double trweight; /* starting here, needed to make sccs version happy */ boolean goteof; node *grbg; winactiontype winaction; /* added - danieyek 990226 */ long maxNumOfIter; /* added - danieyek 990203 */ extern double pie; /* added - danieyek 990204 */ struct stackElem { /* This is actually equivalent to a reversed link list; pStackElemBack point toward the direction of the bottom of the stack */ struct stackElem *pStackElemBack; node *pNode; }; typedef struct stackElem stackElemType; #ifdef X String res[]= { "*.input: True", "*.menubar.orientation: horizontal", "*.menubar.borderWidth: 0", "*.drawing_area.background: #CCFFFF", "*.drawing_area.foreground: #000000", "*.menubar.right: ChainLeft", "*.menubar.bottom: ChainTop", "*.menubar.top: ChainTop", "*.menubar.left: ChainLeft", "*.drawing_area.fromVert: menubar", "*.drawing_area.top: ChainTop", "*.drawing_area.bottom: ChainBottom", "*.drawing_area.left: ChainLeft", "*.drawing_area.right: ChainRight", "*.dialog.label: Drawtree -- Unrooted tree plotting program\\n\\n\\nPHYLIP version 3.6. (c) Copyright 1993-2002 by The University of Washington.\\nWritten by Joseph Felsenstein, Andrew Keeffe, Akiko Fuseki, Sean Lamont\\nand Dan Fineman\\nPermission is granted to copy and use this program provided no fee is\\ncharged for it and provided that this copyright notice is not removed.", NULL }; #endif #ifndef OLDC /* function prototypes */ void initdrawtreenode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void initialparms(void); char showparms(void); void getparms(char); void getwidth(node *); void plrtrans(node *, double, double, double); void coordtrav(node *, double *, double *); double angleof(double , double ); void polartrav(node *, double, double, double, double, double *, double *, double *, double *); void tilttrav(node *, double *, double *, double *, double *); void leftrightangle(node *, double, double); void improvtrav(node *); void force_1to1(node *, node *, double *, double *, double); void totalForceOnNode(node *, node *, double *, double *, double); double dotProduct(double, double, double, double ); double capedAngle(double); double angleBetVectors(double, double, double, double); double signOfMoment(double, double, double, double); double forcePerpendicularOnNode(node *, node *, double); void polarizeABranch(node *, double *, double *); void pushNodeToStack(stackElemType **, node *); void popNodeFromStack(stackElemType **, node **); double medianOfDistance(node *, boolean); void leftRightLimits(node *, double *, double *); void branchLRHelper(node *, node *, double *, double *); void branchLeftRightAngles(node *, double *, double *); void improveNodeAngle(node *, double); void improvtravn(node *); void coordimprov(double *, double *); void calculate(void); void rescale(void); void user_loop(void); void setup_environment(int argc, Char *argv[]); void polarize(node *p, double *xx, double *yy); double vCounterClkwiseU(double Xu, double Yu, double Xv, double Yv); /* function prototypes */ #endif void initdrawtreenode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ long i; boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; for (i=0;inayme[i] = '\0'; nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); (*p)->index = nodei; break; case tip: (*ntips)++; gnu(grbg, p); nodep[(*ntips) - 1] = *p; setupnode(*p, *ntips); (*p)->tip = true; (*p)->naymlength = len ; strncpy ((*p)->nayme, str, MAXNCH); break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); if (!minusread) (*p)->oldlen = valyew / divisor; else (*p)->oldlen = 0.0; if ((*p)->back != NULL) (*p)->back->oldlen = (*p)->oldlen; break; case hsnolength: haslengths = false; break; default: /* cases hslength,iter,treewt,unitrwt */ break; /* should not occur */ } } /* initdrawtreenode */ void initialparms() { /* initialize parameters */ paperx = 20.6375; pagex = 20.6375; papery = 26.9875; pagey = 26.9875; strcpy(fontname,"Times-Roman"); plotrparms(spp); grows = vertical; treeangle = pi / 2.0; ark = 2 * pi; improve = true; nbody = false; regular = false; rescaled = true; bscale = 1.0; labeldirec = middle; xmargin = 0.08 * xsize; ymargin = 0.08 * ysize; labelrotation = 0.0; charht = 0.3333; preview = true; plotter = DEFPLOTTER; previewer = DEFPREV; hpmargin = 0.02*pagex; vpmargin = 0.02*pagey; labelavoid = false; uselengths = haslengths; } /* initialparms */ char showparms() { long loopcount; char numtochange; Char ch,input[64]; double treea; char options[32]; strcpy(options,"#YN0OPVBLRAIDSMC"); if (strcmp(fontname,"Hershey") !=0 && (((plotter == pict || plotter == mac) && (((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0)))))) strcat(options,"Q"); if (plotter == lw || plotter == idraw || plotter == pict || plotter == mac) strcat(options,"F"); if (!improve) strcat(options,"G"); if (!firstscreens) clearit(); printf("\nUnrooted tree plotting program version %s\n", VERSION); putchar('\n'); printf("Here are the settings: \n\n"); printf(" 0 Screen type (IBM PC, ANSI)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" P Final plotting device: "); switch (plotter) { case lw: printf(" Postscript printer\n"); break; case pcl: printf(" HP Laserjet compatible printer (%d DPI)\n", (int) hpresolution); break; case epson: printf(" Epson dot-matrix printer\n"); break; case pcx: printf(" PCX file for PC Paintbrush drawing program (%s)\n", (resopts == 1) ? "EGA 640x350" : (resopts == 2) ? "VGA 800x600" : "VGA 1024x768"); break; case pict: printf(" Macintosh PICT file for drawing program\n"); break; case idraw: printf(" Idraw drawing program\n"); break; case fig: printf(" Xfig drawing program\n"); break; case hp: printf(" HPGL graphics language for HP plotters\n"); break; case bmp: printf(" MS-Windows Bitmap (%d by %d resolution)\n", (int)xsize,(int)ysize); break; case xbm: printf(" X Bitmap file format (%d by %d resolution)\n", (int)xsize,(int)ysize); break; case ibm: printf(" IBM PC graphics (CGA, EGA, or VGA)\n"); break; case tek: printf(" Tektronix graphics screen\n"); break; case decregis: printf(" DEC ReGIS graphics (VT240 or DECTerm)\n"); break; case houston: printf(" Houston Instruments plotter\n"); break; case toshiba: printf(" Toshiba 24-pin dot matrix printer\n"); break; case citoh: printf(" Imagewriter or C.Itoh/TEC/NEC 9-pin dot matrix printer\n"); break; case oki: printf(" old Okidata 9-pin dot matrix printer\n"); break; case ray: printf(" Rayshade ray-tracing program file format\n"); break; case pov: printf(" POV ray-tracing program file format\n"); break; case vrml: printf(" VRML, Virtual Reality Markup Language\n"); case mac: case gif: case other: break ; default: /* case xpreview not handled */ break; } printf(" V Previewing device: "); if (!preview) printf(" (none)\n"); else { switch (previewer) { case ibm: printf(" IBM PC graphics (CGA, EGA, or VGA)\n"); break; case xpreview: printf(" X Windows display\n"); break; case tek: printf(" Tektronix graphics screen\n"); break; case mac: printf(" Macintosh graphics screen\n"); break; case decregis: printf(" DEC ReGIS graphics (VT240 or DECTerm)\n"); break; case winpreview: printf(" MS Windows display\n"); break; case lw: case hp: case houston: case epson: case oki: case fig: case citoh: case toshiba: case pcx: case pcl: case pict: case ray: case pov: case bmp: case xbm: case gif: case idraw: case other: break ; default: /* case vrml not handled */ break; } } printf(" B Use branch lengths: "); if (haslengths) printf("%s\n",uselengths ? "Yes" : "No"); else printf("(no branch lengths available)\n"); printf(" L Angle of labels:"); if (labeldirec == fixed) { printf(" Fixed angle of"); if (labelrotation >= 10.0) printf("%6.1f", labelrotation); else if (labelrotation <= -10.0) printf("%7.1f", labelrotation); else if (labelrotation < 0.0) printf("%6.1f", labelrotation); else printf("%5.1f", labelrotation); printf(" degrees\n"); } else if (labeldirec == radial) printf(" Radial\n"); else if (labeldirec == middle) printf(" branch points to Middle of label\n"); else printf(" Along branches\n"); printf(" R Rotation of tree:"); treea = treeangle * 180 / pi; if (treea >= 100.0) printf("%7.1f\n", treea); else if (treea >= 10.0) printf("%6.1f\n", treea); else if (treea <= -100.0) printf("%8.1f\n", treea); else if (treea <= -10.0) printf("%7.1f\n", treea); else if (treea < 0.0) printf("%6.1f\n", treea); else printf("%5.1f\n", treea); printf(" A Angle of arc for tree:"); treea = 180 * ark / pi; if (treea >= 100.0) printf("%7.1f\n", treea); else if (treea >= 10.0) printf("%6.1f\n", treea); else if (treea <= -100.0) printf("%8.1f\n", treea); else if (treea <= -10.0) printf("%7.1f\n", treea); else if (treea < 0.0) printf("%6.1f\n", treea); else printf("%5.1f\n", treea); /* printf(" I Iterate to improve tree: %s\n", (improve ? "Yes" : "No")); */ printf(" I Iterate to improve tree: "); if (improve) { if (nbody) printf("n-Body algorithm\n"); else printf("Equal-Daylight algorithm\n"); } else printf("No\n"); if (improve) printf(" D Try to avoid label overlap? %s\n", (labelavoid? "Yes" : "No")); printf(" S Scale of branch length:"); if (rescaled) printf(" Automatically rescaled\n"); else printf(" Fixed:%6.2f cm per unit branch length\n", bscale); if (!improve) { printf(" G Regularize the angles: %s\n", (regular ? "Yes" : "No")); } printf(" C Relative character height:%8.4f\n", charht); if ((((plotter == pict || plotter == mac) && (((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0)))))) printf(" F Font: %s\n Q Pict Font Attributes: %s, %s, %s, %s\n", fontname, (pictbold ? "Bold" : "Medium"), (pictitalic ? "Italic" : "Regular"), (pictshadow ? "Shadowed": "Unshadowed"), (pictoutline ? "Outlined" : "Unoutlined")); else if (plotter == lw || plotter == idraw) printf(" F Font: %s\n",fontname); if (plotter == ray) { printf(" M Horizontal margins:%6.2f pixels\n", xmargin); printf(" M Vertical margins:%6.2f pixels\n", ymargin); } else { printf(" M Horizontal margins:%6.2f cm\n", xmargin); printf(" M Vertical margins:%6.2f cm\n", ymargin); } printf(" # Page size submenu: "); /* Add 0.5 to clear up truncation problems. */ if (((int) ((pagex / paperx) + 0.5) == 1) && ((int) ((pagey / papery) + 0.5) == 1)) /* If we're only using one page per tree, */ printf ("one page per tree\n") ; else printf ("%.0f by %.0f pages per tree\n", (pagey-vpmargin) / (papery-vpmargin), (pagex-hpmargin) / (paperx-hpmargin)) ; loopcount = 0; for (;;) { printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); uppercase(&input[0]); ch=input[0]; if (strchr(options,ch)) { numtochange = ch; break; } printf(" That letter is not one of the menu choices. Type\n"); countup(&loopcount, 100); } return numtochange; } /* showparms */ void getparms(char numtochange) { /* get from user the relevant parameters for the plotter and diagram */ long loopcount, loopcount2; Char ch; boolean ok; char options[32]; char line[32]; char input[100]; int m, n; n = (int)((pagex-hpmargin-0.01)/(paperx-hpmargin)+1.0); m = (int)((pagey-vpmargin-0.01)/(papery-vpmargin)+1.0); strcpy(options,"YNOPVBLRAIDSMC"); if ((((plotter == pict || plotter == mac) && (((grows == vertical && labelrotation == 0.0) || (grows == horizontal && labelrotation == 90.0)))))) strcat(options,"Q"); if (plotter == lw || plotter == idraw) strcat(options,"F"); if (!improve) strcat(options,"G"); if (numtochange == '*') { do { printf(" Type the number of one that you want to change:\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(line); numtochange = line[0]; } while (strchr(options,numtochange)); } switch (numtochange) { case '0': initterminal(&ibmpc, &ansi); break; case 'P': getplotter(); break; case 'V': getpreview(); break; case '#': loopcount2 = 0; for (;;){ clearit(); printf(" Page Specifications Submenu\n\n"); printf(" L Output size in pages: %.0f down by %.0f across\n", (pagey / papery), (pagex / paperx)); printf(" P Physical paper size: %1.5f by %1.5f cm\n",paperx,papery); printf(" O Overlap Region: %1.5f %1.5f cm\n",hpmargin,vpmargin); printf(" M main menu\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); ch = input[0]; uppercase(&ch); switch (ch){ case 'L': printf("Number of pages in height:\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); m = atoi(input); printf("Number of pages in width:\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); n = atoi(input); break; case 'P': printf("Paper Width (in cm):\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); paperx = atof(input); printf("Paper Height (in cm):\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); papery = atof(input); break; case 'O': printf("Horizontal Overlap (in cm):"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); hpmargin = atof(input); printf("Vertical Overlap (in cm):"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); vpmargin = atof(input); case 'M': break; default: printf("Please enter L, P, O , or M.\n"); break; } pagex = ((double)n * (paperx-hpmargin)+hpmargin); pagey = ((double)m * (papery-vpmargin)+vpmargin); if (ch == 'M') break; countup(&loopcount2, 20); } break; case 'B': if (haslengths) uselengths = !uselengths; else { printf("Cannot use lengths since not all of them exist\n"); uselengths = false; } break; case 'L': printf("\nDo you want labels to be Fixed angle, Radial, Along,"); printf(" or Middle?\n"); loopcount2 = 0; do { printf(" Type F, R, A, or M\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); (void)getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); countup(&loopcount2, 10); } while (ch != 'F' && ch != 'R' && ch != 'A' && ch != 'M'); switch (ch) { case 'A': labeldirec = along; break; case 'F': labeldirec = fixed; break; case 'R': labeldirec = radial; break; case 'M': labeldirec = middle; break; } if (labeldirec == fixed) { printf("Are the labels to be plotted vertically (90),\n"); printf(" horizontally (0), or downwards (-90) ?\n"); loopcount2 = 0; do { printf(" Choose an angle in degrees from 90 to -90: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &labelrotation); (void)getchar(); countup(&loopcount2, 10); } while ((labelrotation < -90.0 || labelrotation > 90.0) && labelrotation != -99.0); } break; case 'R': printf("\n At what angle is the tree to be plotted?\n"); loopcount2 = 0; do { printf(" Choose an angle in degrees from 360 to -360: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &treeangle); (void)getchar(); uppercase(&ch); countup(&loopcount2, 10); } while (treeangle < -360.0 && treeangle > 360.0); treeangle = treeangle * pi / 180; break; case 'A': printf(" How many degrees (up to 360) of arc\n"); printf(" should the tree occupy? (Currently it is %5.1f)\n", 180 * ark / pi); loopcount2 = 0; do { printf("Enter a number of degrees from 0 up to 360)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &ark); (void)getchar(); countup(&loopcount2, 10); } while (ark <= 0.0 || ark > 360.0); ark = ark * pi / 180; break; case 'I': if (nbody) { improve = false; nbody = false; } else { if (improve) nbody = true; else improve = true; } break; case 'D': labelavoid = !labelavoid; break; case 'S': rescaled = !rescaled; if (!rescaled) { printf("Centimeters per unit branch length?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &bscale); (void)getchar(); } break; case 'M': clearit(); printf("\nThe tree will be drawn to fit in a rectangle which has \n"); printf(" margins in the horizontal and vertical directions of:\n"); if (plotter == ray) { printf( "%6.2f pixels (horizontal margin) and%6.2f pixels (vertical margin)\n", xmargin, ymargin); } else { printf("%6.2f cm (horizontal margin) and%6.2f cm (vertical margin)\n", xmargin, ymargin); } loopcount2 = 0; do { printf(" New value (in cm) of horizontal margin?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &xmargin); (void)getchar(); ok = ((unsigned)xmargin < xsize / 2.0); if (!ok) printf(" Impossible value. Please retype it.\n"); countup(&loopcount2, 10); } while (!ok); loopcount2 = 0; do { printf(" New value (in cm) of vertical margin?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &ymargin); (void)getchar(); ok = ((unsigned)ymargin < ysize / 2.0); if (!ok) printf(" Impossible value. Please retype it.\n"); countup(&loopcount2, 10); } while (!ok); break; case 'C': printf("New value of character height?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &charht); (void)getchar(); break; case 'F': printf("Enter font name or \"Hershey\" for default font\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(fontname); break; case 'G': regular = !regular; break; case 'Q': clearit(); loopcount2 = 0; do { printf("Italic? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount2, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictitalic = (input[0] == 'Y'); loopcount2 = 0; do { printf("Bold? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount2, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictbold = (input[0] == 'Y'); loopcount2 = 0; do { printf("Shadow? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount2, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictshadow = (input[0] == 'Y'); loopcount2 = 0; do { printf("Outline? (Y/N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); input[0] = toupper(input[0]); countup(&loopcount2, 10); } while (input[0] != 'Y' && input[0] != 'N'); pictoutline = (input[0] == 'Y'); break; countup(&loopcount, 100); } } /* getparms */ void getwidth(node *p) { /* get width and depth beyond each node */ double nw, nd; node *pp, *qq; nd = 0.0; if (p->tip) nw = 1.0; else { nw = 0.0; qq = p; pp = p->next; do { getwidth(pp->back); nw += pp->back->width; if (pp->back->depth > nd) nd = pp->back->depth; pp = pp->next; } while (((p != root) && (pp != qq)) || ((p == root) && (pp != p->next))); } p->depth = nd + p->length; p->width = nw; } /* getwidth */ void plrtrans(node *p, double theta, double lower, double upper) { /* polar coordinates of a node relative to start */ long num; double nn, pr, ptheta, angle, angle2, subangle, len; node *pp, *qq; nn = p->width; angle = theta; subangle = (upper - lower) / nn; qq = p; pp = p->next; if (p->tip) return; angle = upper; do { angle -= pp->back->width / 2.0 * subangle; pr = p->r; ptheta = p->theta; if (regular) { num = 1; while (num * subangle < 2 * pi) num *= 2; if (angle >= 0.0) angle2 = 2 * pi / num * (long)(num * angle / (2 * pi) + 0.5); else angle2 = 2 * pi / num * (long)(num * angle / (2 * pi) - 0.5); } else angle2 = angle; if (uselengths) len = fabs(pp->back->oldlen); else len = 1.0; pp->back->r = sqrt(len * len + pr * pr + 2 * len * pr * cos(angle2 - ptheta)); if (fabs(pr * cos(ptheta) + len * cos(angle2)) > epsilon) pp->back->theta = atan((pr * sin(ptheta) + len * sin(angle2)) / (pr * cos(ptheta) + len * cos(angle2))); else if (pr * sin(ptheta) + len * sin(angle2) >= 0.0) pp->back->theta = pi / 2; else pp->back->theta = 1.5 * pi; if (pr * cos(ptheta) + len * cos(angle2) < -epsilon) pp->back->theta += pi; if (!pp->back->tip) plrtrans(pp->back, pp->back->theta, angle - pp->back->width * subangle / 2.0, angle + pp->back->width * subangle / 2.0); else pp->back->oldtheta = angle2; angle -= pp->back->width / 2.0 * subangle; pp = pp->next; } while (((p != root) && (pp != qq)) || ((p == root) && (pp != p->next))); } /* plrtrans */ void coordtrav(node *p, double *xx, double *yy) { /* compute x and y coordinates */ node *pp; if (!p->tip) { pp = p->next; while (pp != p) { coordtrav(pp->back, xx, yy); pp = pp->next; if (p == root) coordtrav(p->back, xx, yy); } } (*xx) = p->r * cos(p->theta); (*yy) = p->r * sin(p->theta); if ((*xx) > maxx) maxx = (*xx); if ((*xx) < minx) minx = (*xx); if ((*yy) > maxy) maxy = (*yy); if ((*yy) < miny) miny = (*yy); p->xcoord = (*xx); p->ycoord = (*yy); } /* coordtrav */ double angleof(double x, double y) { /* compute the angle of a vector */ double theta; if (fabs(x) > epsilon) theta = atan(y / x); else if (y >= 0.0) theta = pi / 2; else theta = 1.5 * pi; if (x < -epsilon) theta = pi + theta; while (theta > 2 * pi) theta -= 2 * pi; while (theta < 0.0) theta += 2 * pi; return theta; } /* angleof */ void polartrav(node *p, double xx, double yy, double firstx, double firsty, double *leftx, double *lefty, double *rightx, double *righty) { /* go through subtree getting left and right vectors */ double x, y, xxx, yyy, labangle = 0; boolean lookatit; node *pp; lookatit = true; if (!p->tip) lookatit = (p->next->next != p || p->index != root->index); if (lookatit) { x = nodep[p->index - 1]->xcoord; y = nodep[p->index - 1]->ycoord; if (p->tip) { if (labeldirec == fixed) { labangle = pi * labelrotation / 180.0; if (cos(p->oldtheta) < 0.0) labangle = labangle - pi; } if (labeldirec == radial) labangle = p->theta; else if (labeldirec == along) labangle = p->oldtheta; else if (labeldirec == middle) labangle = 0.0; xxx = x; yyy = y; if (labelavoid) { if (labeldirec == middle) { xxx += GAP * labelheight * cos(p->oldtheta); yyy += GAP * labelheight * sin(p->oldtheta); xxx += labelheight * cos(labangle) * textlength[p->index - 1]; if (textlength[p->index - 1] * sin(p->oldtheta) < 1.0) xxx += labelheight * cos(labangle) * textlength[p->index - 1]; else xxx += 0.5 * labelheight * cos(labangle) * textlength[p->index - 1]; yyy += labelheight * sin(labangle) * textlength[p->index - 1]; } else { xxx += GAP * labelheight * cos(p->oldtheta); yyy += GAP * labelheight * sin(p->oldtheta); xxx -= labelheight * cos(labangle) * 0.5 * firstlet[p->index - 1]; yyy -= labelheight * sin(labangle) * 0.5 * firstlet[p->index - 1]; xxx += labelheight * cos(labangle) * textlength[p->index - 1]; yyy += labelheight * sin(labangle) * textlength[p->index - 1]; } } if ((yyy - yy) * firstx - (xxx - xx) * firsty < 0.0) { if ((yyy - yy) * (*rightx) - (xxx - xx) * (*righty) < 0.0) { (*rightx) = xxx - xx; (*righty) = yyy - yy; } } if ((yyy - yy) * firstx - (xxx - xx) * firsty > 0.0) { if ((yyy - yy) * (*leftx) - (xxx - xx) * (*lefty) > 0.0) { (*leftx) = xxx - xx; (*lefty) = yyy - yy; } } } if ((y - yy) * firstx - (x - xx) * firsty < 0.0) { if ((y - yy) * (*rightx) - (x - xx) * (*righty) < 0.0) { (*rightx) = x - xx; (*righty) = y - yy; } } if ((y - yy) * firstx - (x - xx) * firsty > 0.0) { if ((y - yy) * (*leftx) - (x - xx) * (*lefty) > 0.0) { (*leftx) = x - xx; (*lefty) = y - yy; } } } if (p->tip) return; pp = p->next; while (pp != p) { if (pp != NULL) polartrav(pp->back,xx,yy,firstx,firsty,leftx,lefty,rightx,righty); pp = pp->next; } } /* polartrav */ void tilttrav(node *q, double *xx, double *yy, double *sinphi, double *cosphi) { /* traverse to move successive nodes */ double x, y; node *pp; pp = nodep[q->index - 1]; x = pp->xcoord; y = pp->ycoord; pp->xcoord = (*xx) + (x - (*xx)) * (*cosphi) + ((*yy) - y) * (*sinphi); pp->ycoord = (*yy) + (x - (*xx)) * (*sinphi) + (y - (*yy)) * (*cosphi); if (q->tip) return; pp = q->next; while (pp != q) { /* if (pp != root) */ if (pp->back != NULL) tilttrav(pp->back,xx,yy,sinphi,cosphi); pp = pp->next; } } /* tilttrav */ void polarize(node *p, double *xx, double *yy) { double TEMP, TEMP1; if (fabs(p->xcoord - (*xx)) > epsilon) p->oldtheta = atan((p->ycoord - (*yy)) / (p->xcoord - (*xx))); else if (p->ycoord - (*yy) > epsilon) p->oldtheta = pi / 2; if (p->xcoord - (*xx) < -epsilon) p->oldtheta += pi; if (fabs(p->xcoord - root->xcoord) > epsilon) p->theta = atan((p->ycoord - root->ycoord) / (p->xcoord - root->xcoord)); else if (p->ycoord - root->ycoord > 0.0) p->theta = pi / 2; else p->theta = 1.5 * pi; if (p->xcoord - root->xcoord < -epsilon) p->theta += pi; TEMP = p->xcoord - root->xcoord; TEMP1 = p->ycoord - root->ycoord; p->r = sqrt(TEMP * TEMP + TEMP1 * TEMP1); } /* polarize */ void leftrightangle(node *p, double xx, double yy) { /* get leftmost and rightmost angle of subtree, put them in node p */ double firstx, firsty, leftx, lefty, rightx, righty; double langle, rangle; firstx = nodep[p->back->index-1]->xcoord - xx; firsty = nodep[p->back->index-1]->ycoord - yy; leftx = firstx; lefty = firsty; rightx = firstx; righty = firsty; if (p->back != NULL) polartrav(p->back,xx,yy,firstx,firsty,&leftx,&lefty,&rightx,&righty); if ((fabs(leftx) < epsilon) && (fabs(lefty) < epsilon)) langle = p->back->oldtheta; else langle = angleof(leftx, lefty); if ((fabs(rightx) < epsilon) && (fabs(righty) < epsilon)) rangle = p->back->oldtheta; else rangle = angleof(rightx, righty); while (langle - rangle > 2*pi) langle -= 2 * pi; while (rangle > langle) langle += 2 * pi; p->lefttheta = langle; p->righttheta = rangle; } /* leftrightangle */ void improvtrav(node *p) { /* traverse tree trying different tiltings at each node */ double xx, yy, cosphi, sinphi; double langle, rangle, sumrot, olddiff; node *pp, *qq, *ppp;; if (p->tip) return; xx = p->xcoord; yy = p->ycoord; pp = p->next; do { leftrightangle(pp, xx, yy); pp = pp->next; } while ((pp != p->next)); if (p == root) { pp = p->next; do { qq = pp; pp = pp->next; } while (pp != root); /* debug ?? */ p->righttheta = qq->righttheta; p->lefttheta = p->next->lefttheta; } qq = p; pp = p->next; ppp = p->next->next; do { langle = qq->righttheta - pp->lefttheta; rangle = pp->righttheta - ppp->lefttheta; /* if (langle > pi) langle -= 2*pi; if (langle < -pi) langle += 2*pi; if (rangle > pi) rangle -= 2*pi; if (rangle < -pi) rangle += 2*pi; */ while (langle > pi) langle -= 2*pi; while (langle < -pi) langle += 2*pi; while (rangle > pi) rangle -= 2*pi; while (rangle < -pi) rangle += 2*pi; olddiff = fabs(langle-rangle); sumrot = (langle - rangle) /2.0; if (sumrot > langle) sumrot = langle; if (sumrot < -rangle) sumrot = -rangle; cosphi = cos(sumrot); sinphi = sin(sumrot); /* if ((p != root) || ((p == root) && (root->next->next->next != root))) { */ if (p != root) { if (fabs(sumrot) > maxchange) maxchange = fabs(sumrot); pp->back->oldtheta += sumrot; tilttrav(pp->back,&xx,&yy,&sinphi,&cosphi); polarize(pp->back,&xx,&yy); leftrightangle(pp, xx, yy); langle = qq->righttheta - pp->lefttheta; rangle = pp->righttheta - ppp->lefttheta; /* if (langle > pi) langle -= 2*pi; if (langle < -pi) langle += 2*pi; if (rangle > pi) rangle -= 2*pi; if (rangle < -pi) rangle += 2*pi; */ while (langle > pi) langle -= 2*pi; while (langle < -pi) langle += 2*pi; while (rangle > pi) rangle -= 2*pi; while (rangle < -pi) rangle += 2*pi; while ((fabs(langle-rangle) > olddiff) && (fabs(sumrot) > 0.01)) { sumrot = sumrot /2.0; cosphi = cos(-sumrot); sinphi = sin(-sumrot); pp->back->oldtheta -= sumrot; tilttrav(pp->back,&xx,&yy,&sinphi,&cosphi); polarize(pp->back,&xx,&yy); leftrightangle(pp, xx, yy); langle = qq->righttheta - pp->lefttheta; rangle = pp->righttheta - ppp->lefttheta; if (langle > pi) langle -= 2*pi; if (langle < -pi) langle += 2*pi; if (rangle > pi) rangle -= 2*pi; if (rangle < -pi) rangle += 2*pi; } } qq = pp; pp = pp->next; ppp = ppp->next; } while (((p == root) && (pp != p->next)) || ((p != root) && (pp != p))); pp = p->next; do { improvtrav(pp->back); pp = pp->next; } while (((p == root) && (pp != p->next)) || ((p != root) && (pp != p))); } /* improvtrav */ void force_1to1(node *pFromSubNode, node *pToSubNode, double *pForce, double *pAngle, double medianDistance) { /* calculate force acting between 2 nodes and return the force in pForce. Remember to pass the index subnodes to this function if needed. Force should always be positive for repelling. Angle changes to indicate the direction of the force. The value of INFINITY is the cap to the value of Force. There might have problem (error msg.) if pFromSubNode and pToSubNode are the same node or the coordinates are identical even with double precision. */ double distanceX, distanceY, distance, norminalDistance; distanceX = pFromSubNode->xcoord - pToSubNode->xcoord; distanceY = pFromSubNode->ycoord - pToSubNode->ycoord; distance = sqrt( distanceX*distanceX + distanceY*distanceY ); norminalDistance = distance/medianDistance; if (norminalDistance < epsilon) { *pForce = INFINITY; } else { *pForce = (double)1 / (norminalDistance * norminalDistance); if (*pForce > INFINITY) *pForce = INFINITY; } *pAngle = computeAngle(pFromSubNode->xcoord, pFromSubNode->ycoord, pToSubNode->xcoord, pToSubNode->ycoord); return; } /* force_1to1 */ void totalForceOnNode(node *pPivotSubNode, node *pToSubNode, double *pTotalForce, double *pAngle, double medianDistance) { /* pToSubNode is where all the relevent nodes apply forces to. All branches are visited except the branch contains pToSubNode. pToSubNode must be one of the branch out of the current Node (= out of one of the subnode in the current subnodes set.) Most likely pPivotSubNode is not the index subNode! In any case, only the leafs are consider in repelling force; so, no worry about index subNode. pTotalForce and pAngle must be set to 0 before calling this function for the first time, or the result will be invalid. pPivotSubNode is named for external interface. When calling totalForceOnNode() recursively, pPivotSubNode should be thought of as pFromSubNode. */ node *pSubNode; double force, angle, forceX, forceY, prevForceX, prevForceY; pSubNode = pPivotSubNode; /* visit the rest of the branches of current node; the branch attaches to the current subNode may be visited in the code down below. */ while (pSubNode->next != NULL && pSubNode->next != pPivotSubNode) { pSubNode = pSubNode->next; if ( pSubNode->back != NULL && pSubNode->back != pToSubNode) totalForceOnNode(pSubNode->back, pToSubNode, pTotalForce, pAngle, medianDistance); } /* visit this branch; You need to visit it for the first time - at root only! */ /* Modified so that all nodes are visited and calculated forces, instead of just the leafs only. */ /* use pPivotSubNode instead of pSubNode here because pSubNode stop short just before pPivotSubNode (the entry node) */ if ( pPivotSubNode == root && pPivotSubNode->back != NULL && pPivotSubNode->back != pToSubNode) totalForceOnNode(pPivotSubNode->back, pToSubNode, pTotalForce, pAngle, medianDistance); /* Break down the previous sum of forces to components form */ prevForceX = *pTotalForce * cos(*pAngle); prevForceY = *pTotalForce * sin(*pAngle); force_1to1(nodep[pPivotSubNode->index-1], pToSubNode, &force, &angle, medianDistance); /* force between 2 nodes */ forceX = force * cos(angle); forceY = force * sin(angle); /* Combined force */ forceX = forceX + prevForceX; forceY = forceY + prevForceY; /* Write to output parameters */ *pTotalForce = sqrt( forceX*forceX + forceY*forceY ); *pAngle = computeAngle((double)0, (double)0, forceX, forceY); return; } /* totalForceOnNode */ double dotProduct(double Xu, double Yu, double Xv, double Yv) { return Xu * Xv + Yu * Yv; } /* dotProduct */ double capedAngle(double angle) { /* Return the equivalent value of angle that is within 0 to 2*pie */ while (angle < 0 || angle >= 2*pie) { if(angle < 0) { angle = angle + 2*pie; } else if (angle >= 2*pie) { angle = angle - 2*pie; } } return angle; } /* capedAngle */ double angleBetVectors(double Xu, double Yu, double Xv, double Yv) { /* Calculate angle between 2 vectors; use capedAngle() if needed to get the equivalent angle in positive value. - I guess it is never necessary. Use vCounterClkwiseU() to get the relative position of the vectors. */ double dotProd, cosTheta, theta, lengthsProd; /*double angleU, angleV, angleUToV;*/ dotProd = dotProduct(Xu, Yu, Xv, Yv); lengthsProd = sqrt(Xu*Xu+Yu*Yu) * sqrt(Xv*Xv+Yv*Yv); if (lengthsProd < epsilon) { printf("ERROR: drawtree - division by zero in angleBetVectors()!\n"); printf("Xu %f Yu %f Xv %f Yv %f\n", Xu, Yu, Xv, Yv); exxit(0); } cosTheta = dotProd / lengthsProd; if (cosTheta > 1 || cosTheta < -1) { printf("ERROR: drawtree - acos of an invalid value in angleBetVectors()!\n"); exxit(0); } theta = acos(cosTheta); if (theta < 0) { printf("ERROR: theta not supposed to be negative in angleBetVectors()!\n"); printf("theta = %f\n", theta); exxit(1); } return theta; } /* angleBetVectors */ double signOfMoment(double xReferenceVector, double yReferenceVector, double xForce, double yForce) { /* it return the sign of the moment caused by the force, applied to the tip of the refereceVector; the root of the refereceVector is the pivot. */ double angleReference, angleForce, sign; angleReference = computeAngle((double)0, (double)0, xReferenceVector, yReferenceVector); angleForce = computeAngle((double)0, (double)0, xForce, yForce); angleForce = capedAngle(angleForce); angleReference = capedAngle(angleReference); /* reduce angleReference to 0 */ angleForce = angleForce - angleReference; angleForce = capedAngle(angleForce); angleReference = 0; if (angleForce > 0 && angleForce < pie) { /* positive sign - force pointing toward the left of the reference line/vector. */ sign = 1; } else { /* negative sign */ sign = -1; } return sign; } /* signOfMoment */ double vCounterClkwiseU(double Xu, double Yu, double Xv, double Yv) { /* Return 1 if vector v is counter clockwise from u */ /* signOfMoment() is doing just that! */ return signOfMoment(Xu, Yu, Xv, Yv); } /* vCounterClkwiseU */ double forcePerpendicularOnNode(node *pPivotSubNode, node *pToSubNode, double medianDistance) { /* Read comment for totalForceOnNode */ /* It supposed to return a positive value to indicate that it has a positive moment; and negative return value to indicate negative moment. force perpendicular at norminal distance 1 is taken to be 1. medianDistance is the median of Distances in this graph. */ /* / Force / | ToNode o > alpha | \ yDelta | \ theta = pie/2 + alpha | beta = vector (or angle) from Pivot to ToNode Pivot o----------- xDelta alpha = theta + beta */ double totalForce, forceAngle, xDelta, yDelta, beta; double alpha, theta, forcePerpendicular, sinForceAngle, cosForceAngle; totalForce = (double)0; forceAngle = (double)0; totalForceOnNode(pPivotSubNode, pToSubNode, &totalForce, &forceAngle, medianDistance); xDelta = nodep[pToSubNode->index-1]->xcoord - nodep[pPivotSubNode->index-1]->xcoord; yDelta = nodep[pToSubNode->index-1]->ycoord - nodep[pPivotSubNode->index-1]->ycoord; /* Try to avoid the case where 2 nodes are on top of each other. */ /* if (xDelta < 0) tempx = -xDelta; else tempx = xDelta; if (yDelta < 0) tempy = -yDelta; else tempy = yDelta; if (tempx < epsilon && tempy < epsilon) { return; } */ sinForceAngle = sin(forceAngle); cosForceAngle = cos(forceAngle); beta = computeAngle((double)0, (double)0, yDelta, -xDelta); theta = angleBetVectors(xDelta, yDelta, cosForceAngle, sinForceAngle); if (theta > pie/2) { alpha = theta - pie/2; } else { alpha = pie/2 - theta; } forcePerpendicular = totalForce * cos(alpha); if (forcePerpendicular < -epsilon) { printf("ERROR: drawtree - forcePerpendicular applied at an angle should not be less than zero (in forcePerpendicularOnNode()). \n"); printf("alpha = %f\n", alpha); exxit(1); } /* correct the sign of the moment */ forcePerpendicular = signOfMoment(xDelta, yDelta, cosForceAngle, sinForceAngle) * forcePerpendicular; return forcePerpendicular; } /* forcePerpendicularOnNode */ void polarizeABranch(node *pStartingSubNode, double *xx, double *yy) { /* added - danieyek 990128 */ /* After calling tilttrav(), if you don't polarize all the nodes on the branch to convert the x-y coordinates to theta and radius, you won't get result on the plot! This function takes a subnode and branch out of all other subnode except the starting subnode (where the parent is), thus converting the x-y to polar coordinates for the branch only. xx and yy are purely "inherited" features of polarize(). They should have been passed as values not addresses. */ node *pSubNode; pSubNode = pStartingSubNode; /* convert the current node (note: not subnode) to polar coordinates. */ polarize( nodep[pStartingSubNode->index - 1], xx, yy); /* visit the rest of the branches of current node */ while (pSubNode->next != NULL && pSubNode->next != pStartingSubNode) { pSubNode = pSubNode->next; if ( pSubNode->tip != true ) polarizeABranch(pSubNode->back, xx, yy); } return; } /* polarizeABranch */ void pushNodeToStack(stackElemType **ppStackTop, node *pNode) { /* added - danieyek 990204 */ /* pStackTop must be the current top element of the stack, where we add another element on top of it. ppStackTop must be the location where we can find pStackTop. This function "returns" the revised top (element) of the stack through the output parameter, ppStackTop. The last element on the stack has the "back" (pStackElemBack) pointer set to NULL. So, when the last element is poped, ppStackTop will be automatically set to NULL. If popNodeFromStack() is called with ppStackTop = NULL, we assume that it is the error caused by over popping the stack. */ stackElemType *pStackElem; if (ppStackTop == NULL) { /* NULL can be stored in the location, but the location itself can't be NULL! */ printf("ERROR: drawtree - error using pushNodeToStack(); ppStackTop is NULL.\n"); exxit(1); } pStackElem = (stackElemType*)Malloc( sizeof(stackElemType) ); pStackElem->pStackElemBack = *ppStackTop; /* push an element onto the stack */ pStackElem->pNode = pNode; *ppStackTop = pStackElem; return; } /* pushNodeToStack */ void popNodeFromStack(stackElemType **ppStackTop, node **ppNode) { /* added - danieyek 990205 */ /* pStackTop must be the current top element of the stack, where we pop an element from the top of it. ppStackTop must be the location where we can find pStackTop. This function "returns" the revised top (element) of the stack through the output parameter, ppStackTop. The last element on the stack has the "back" (pStackElemBack) pointer set to NULL. So, when the last element is poped, ppStackTop will be automatically set to NULL. If popNodeFromStack() is called with ppStackTop = NULL, we assume that it is the error caused by over popping the stack. */ stackElemType *pStackT; if (ppStackTop == NULL) { printf("ERROR: drawtree - a call to pop while the stack is empty.\n"); exxit(1); } pStackT = *ppStackTop; *ppStackTop = pStackT->pStackElemBack; *ppNode = pStackT->pNode; free(pStackT); return; } /* popNodeFromStack */ double medianOfDistance(node *pRootSubNode, boolean firstRecursiveCallP) { /* added - danieyek 990208 */ /* Find the median of the distance; used to compute the angle to rotate in proportion to the size of the graph and forces. It is assumed that pRootSubNode is also the pivot (during the first call to this function) - the center, with respect to which node the distances are calculated. If there are only 3 element, element #2 is returned, ie. (2+1)/2. This function now finds the median of distances of all nodes, not only the leafs! */ node *pSubNode; double xDelta, yDelta, distance; long i, j; struct dblLinkNode { double value; /* Implement reverse Linked List */ struct dblLinkNode *pBack; } *pLink, *pBackElem, *pMidElem, *pFrontElem, junkLink; /* must use static to retain values over calls */ static node *pReferenceNode; static long count; static struct dblLinkNode *pFrontOfLinkedList; /* Remember the reference node so that it doesn't have to be passed arround in the function parameter. */ if (firstRecursiveCallP == true) { pReferenceNode = pRootSubNode; pFrontOfLinkedList = NULL; count = 0; } pSubNode = pRootSubNode; /* visit the rest of the branches of current node; the branch attaches to the current subNode may be visited in the code further down below. */ while (pSubNode->next != NULL && pSubNode->next != pRootSubNode) { pSubNode = pSubNode->next; if ( pSubNode->back != NULL) medianOfDistance(pSubNode->back, false); } /* visit this branch; You need to visit it for the first time - at root only! */ /* use pRootSubNode instead of pSubNode here because pSubNode stop short just before pRootSubNode (the entry node) */ if ( firstRecursiveCallP == true && pRootSubNode->back != NULL) medianOfDistance(pRootSubNode->back, false); /* Why only leafs count? Modifying it! */ xDelta = nodep[pSubNode->index-1]->xcoord - nodep[pReferenceNode->index-1]->xcoord; yDelta = nodep[pSubNode->index-1]->ycoord - nodep[pReferenceNode->index-1]->ycoord; distance = sqrt( xDelta*xDelta + yDelta*yDelta ); /* Similar to pushing onto the stack */ pLink = (struct dblLinkNode*) Malloc( sizeof(struct dblLinkNode) ); if (pLink == NULL) { printf("Fatal ERROR: drawtree - Insufficient Memory in medianOfDistance()!\n"); exxit(1); } pLink->value = distance; pLink->pBack = pFrontOfLinkedList; pFrontOfLinkedList = pLink; count = count + 1; if (firstRecursiveCallP == true) { if (count == 0) { return (double)0; } else if (count == 1) { distance = pFrontOfLinkedList->value; free(pFrontOfLinkedList); return distance; } else if (count == 2) { distance = (pFrontOfLinkedList->value + pFrontOfLinkedList->pBack->value)/(double)2; free(pFrontOfLinkedList->pBack); free(pFrontOfLinkedList); return distance; } else { junkLink.pBack = pFrontOfLinkedList; /* SORT first - use bubble sort; we start with at least 3 elements here. */ /* We are matching backward when sorting the list and comparing MidElem and BackElem along the path; junkLink is there just to make a symmetric operation at the front end. */ for (j = 0; j < count - 1; j++) { pFrontElem = &junkLink; pMidElem = junkLink.pBack; pBackElem = junkLink.pBack->pBack; for (i = j; i < count - 1; i++) { if(pMidElem->value < pBackElem->value) { /* Swap - carry the smaller value to the root of the linked list. */ pMidElem->pBack = pBackElem->pBack; pBackElem->pBack = pMidElem; pFrontElem->pBack = pBackElem; /* Correct the order of pFrontElem, pMidElem, pBackElem and match one step */ pFrontElem = pBackElem; pBackElem = pMidElem->pBack; } else { pFrontElem = pMidElem; pMidElem = pBackElem; pBackElem = pBackElem->pBack; } } pFrontOfLinkedList = junkLink.pBack; } /* Sorted; now get the middle element. */ for (i = 1; i < (count + 1)/(long) 2; i++) { /* Similar to Poping the stack */ pLink = pFrontOfLinkedList; pFrontOfLinkedList = pLink->pBack; free(pLink); } /* Get the return value!! - only the last return value is the valid one. */ distance = pFrontOfLinkedList->value; /* Continue from the same i value left off by the previous for loop! */ for (; i <= count; i++) { /* Similar to Poping the stack */ pLink = pFrontOfLinkedList; pFrontOfLinkedList = pLink->pBack; free(pLink); } } } return distance; } /* medianOfDistance */ void leftRightLimits(node *pToSubNode, double *pLeftLimit, double *pRightLimit) /* As usual, pToSubNode->back is the angle leftLimit is the max angle you can rotate on the left and rightLimit vice versa. *pLeftLimit and *pRightLimit must be initialized to 0; without initialization, it would introduce bitter bugs into the program; they are initialized in this routine. */ { /* pPivotNode is nodep[pToSubNode->back->index-1], not pPivotSubNode which is just pToSubNode->back! */ node *pLeftSubNode, *pRightSubNode, *pPivotNode, *pSubNode; double leftLimit, rightLimit, xToNodeVector, yToNodeVector, xLeftVector, yLeftVector, xRightVector, yRightVector, lengthsProd; *pLeftLimit = 0; *pRightLimit = 0; /* Make an assumption first - guess "pToSubNode->back->next" is the right and the opposite direction is the left! */ /* It shouldn't be pivoted at a left, but just checking. */ if (pToSubNode->back->tip == true) { /* Logically this should not happen. But we actually can return pi as the limit. */ printf("ERROR: In leftRightLimits() - Pivoted at a leaf! Unable to calculate left and right limit.\n"); exxit(1); } else if (pToSubNode->back->next->next == pToSubNode->back) { printf("ERROR: leftRightLimits() - 2-branches-only case not handled!!"); exxit(1); } /* Else, do this */ pPivotNode = nodep[pToSubNode->back->index-1]; /* 3 or more branches - the regular case. */ /* First, initialize the pRightSubNode - non-repeative portion of the code */ pRightSubNode = pToSubNode->back; pLeftSubNode = pToSubNode->back; xToNodeVector = nodep[pToSubNode->index-1]->xcoord - pPivotNode->xcoord; yToNodeVector = nodep[pToSubNode->index-1]->ycoord - pPivotNode->ycoord; /* If both x and y are 0, then the length must be 0; but this check is not enough yet, we need to check the product of length also. */ if ( fabs(xToNodeVector) < epsilon && fabs(yToNodeVector) < epsilon ) { /* If the branch to rotate is too short, don't rotate it. */ *pLeftLimit = 0; *pRightLimit = 0; return; } while( nodep[pRightSubNode->index-1]->tip != true ) { /* Repeative code */ pRightSubNode = pRightSubNode->next->back; xRightVector = nodep[pRightSubNode->index-1]->xcoord - pPivotNode->xcoord; yRightVector = nodep[pRightSubNode->index-1]->ycoord - pPivotNode->ycoord; lengthsProd = sqrt(xToNodeVector*xToNodeVector+yToNodeVector*yToNodeVector) * sqrt(xRightVector*xRightVector+yRightVector*yRightVector); if ( lengthsProd < epsilon ) { continue; } rightLimit = angleBetVectors(xToNodeVector, yToNodeVector, xRightVector, yRightVector); if ( (*pRightLimit) < rightLimit) *pRightLimit = rightLimit; } while( nodep[pLeftSubNode->index-1]->tip != true ) { /* First, let pSubNode be 1 subnode after rightSubNode. */ pSubNode = pLeftSubNode->next->next; /* Then, loop until the last subNode before getting back to the pivot */ while (pSubNode->next != pLeftSubNode) { pSubNode = pSubNode->next; } pLeftSubNode = pSubNode->back; xLeftVector = nodep[pLeftSubNode->index-1]->xcoord - pPivotNode->xcoord; yLeftVector = nodep[pLeftSubNode->index-1]->ycoord - pPivotNode->ycoord; lengthsProd = sqrt(xToNodeVector*xToNodeVector+yToNodeVector*yToNodeVector) * sqrt(xLeftVector*xLeftVector+yLeftVector*yLeftVector); if ( lengthsProd < epsilon ) { continue; } leftLimit = angleBetVectors(xToNodeVector, yToNodeVector, xLeftVector, yLeftVector); if ( (*pLeftLimit) < leftLimit) *pLeftLimit = leftLimit; } return; } /* leftRightLimits */ void branchLRHelper(node *pPivotSubNode, node *pCurSubNode, double *pBranchL, double *pBranchR) { /* added - danieyek 990226 */ /* Recursive helper function for branchLeftRightAngles(). pPivotSubNode->back is the pToNode, to which node you apply the forces! */ /* Abandoned as it is similar to day-light algorithm; the first part is done implementing but not tested, the second part yet to be implemented if necessary. */ double xCurNodeVector, yCurNodeVector, xPivotVector, yPivotVector; /* Base case : a leaf - return 0 & 0. */ if ( nodep[pCurSubNode->index-1]->tip == true ) { xPivotVector = nodep[pPivotSubNode->back->index-1]->xcoord - nodep[pPivotSubNode->index-1]->xcoord; yPivotVector = nodep[pPivotSubNode->back->index-1]->ycoord - nodep[pPivotSubNode->index-1]->ycoord; xCurNodeVector = nodep[pCurSubNode->index-1]->xcoord - nodep[pPivotSubNode->index-1]->xcoord; yCurNodeVector = nodep[pCurSubNode->index-1]->ycoord - nodep[pPivotSubNode->index-1]->ycoord; if ( vCounterClkwiseU(xPivotVector, yPivotVector, xCurNodeVector, yCurNodeVector) == 1) { /* Relevant to Left Angle */ *pBranchL = angleBetVectors(xPivotVector, yPivotVector, xCurNodeVector, yCurNodeVector); *pBranchR = (double)0; } else { /* Relevant to Right Angle */ *pBranchR = angleBetVectors(xPivotVector, yPivotVector, xCurNodeVector, yCurNodeVector); *pBranchL = (double)0; } return; } else { /* not a leaf */ } } /* branchLRHelper */ void improveNodeAngle(node *pToNode, double medianDistance) { /* added - danieyek 990204 */ /* Assume calling pToNode->back will bring me to the Pivot! */ double forcePerpendicular, distance, xDistance, yDistance, angleRotate, sinAngleRotate, cosAngleRotate, norminalDistance, leftLimit, rightLimit, limitFactor; node *pPivot; /* Limit factor determinte how close the rotation can approach the absolute limit before colliding with other branches */ limitFactor = (double)4 / (double)5; pPivot = pToNode->back; xDistance = nodep[pPivot->index-1]->xcoord - nodep[pToNode->index-1]->xcoord; yDistance = nodep[pPivot->index-1]->ycoord - nodep[pToNode->index-1]->ycoord; distance = sqrt( xDistance*xDistance + yDistance*yDistance ); /* convert distance to absolute value and test if it is zero */ if ( fabs(distance) < epsilon) { forcePerpendicular = (double)0; angleRotate = (double)0; } else { leftRightLimits(pToNode, &leftLimit, &rightLimit); norminalDistance = distance / medianDistance; forcePerpendicular = forcePerpendicularOnNode(pPivot, pToNode, medianDistance); angleRotate = forcePerpendicular / norminalDistance; /* Limiting the angle of rotation */ if ( angleRotate > 0 && angleRotate > limitFactor * leftLimit) { /* Left */ angleRotate = limitFactor * leftLimit; } else if ( -angleRotate > limitFactor * rightLimit ) /* angleRotate < 0 && */ { /* Right */ angleRotate = - limitFactor * rightLimit; } } angleRotate = (double).1 * angleRotate; sinAngleRotate = sin(angleRotate); cosAngleRotate = cos(angleRotate); tilttrav(pToNode, &(nodep[pPivot->index - 1]->xcoord), &(nodep[pPivot->index - 1]->ycoord), &sinAngleRotate, &cosAngleRotate); polarizeABranch(pToNode, &(nodep[pPivot->index - 1]->xcoord), &(nodep[pPivot->index - 1]->ycoord)); } /* improveNodeAngle */ void improvtravn(node *pStartingSubNode) { /* function modified - danieyek 990125 */ /* improvtrav for n-body. */ /* POPStack is the stack that is currently being used (popped); PUSHStack is the stack that is for the use of the next round (is pushed now) */ stackElemType *pPUSHStackTop, *pPOPStackTop, *pTempStack; node *pSubNode, *pBackStartNode, *pBackSubNode; double sinphi, cosphi, phi, medianDistance; long noOfIteration; /* Stack starts with no element on it */ pPUSHStackTop = NULL; pPOPStackTop = NULL; phi = (double)1.0; sinphi = sin(phi); cosphi = cos(phi); /* Get the median to relate force to angle proportionally. */ medianDistance = medianOfDistance(root, true); /* Set max. number of iteration */ noOfIteration = (long)0; while( noOfIteration++ < maxNumOfIter) { /* First, push all subNodes in the root node onto the stack-to-be-used to kick up the process */ pSubNode = pStartingSubNode; pushNodeToStack(&pPUSHStackTop, pSubNode); while(pSubNode->next != pStartingSubNode) { pSubNode = pSubNode->next; pushNodeToStack(&pPUSHStackTop, pSubNode); } while (true) { /* Finishes with the current POPStack; swap the function of the stacks if PUSHStack is not empty */ if (pPUSHStackTop == NULL) { /* Exit infinity loop here if empty. */ break; } else { /* swap */ pTempStack = pPUSHStackTop; pPUSHStackTop = pPOPStackTop; pPOPStackTop = pTempStack; } while (pPOPStackTop != NULL) { /* We always push the pivot subNode onto the stack! That's when we pop that pivot subNode, subNode.back is the node we apply the force to (ToNode). Also, when we pop a pivot subNode, always push all pivot subNodes in the same ToNode onto the stack. */ popNodeFromStack(&pPOPStackTop, &pSubNode); pBackStartNode = pSubNode->back; if (pBackStartNode->tip == true) { /* tip indicates if a node is a leaf */ improveNodeAngle(pSubNode->back, medianDistance); } else { /* Push all subNodes in this pSubNode->back onto the stack-to-be-used, after poping a pivot subNode. If pSubNode->back is a leaf, no push on stack. */ pBackSubNode = pBackStartNode; /* Do not push this pBackStartNode onto the stack! Or the process will never stop. */ while(pBackSubNode->next != pBackStartNode) { pBackSubNode = pBackSubNode->next; pushNodeToStack(&pPOPStackTop, pBackSubNode); } /* improve the node even if it is not a leaf */ improveNodeAngle(pSubNode->back, medianDistance); } } } } } /* improvtravn */ void coordimprov(double *xx, double *yy) { /* use angles calculation to improve node coordinate placement */ long i, its; if (nbody) { /* n-body algorithm */ /* modified - danieyek 990125 */ /* its = 5; */ its = 1; /* modified - danieyek 990125 */ /* why its = 5 ?? - to be modified as equal-daylight below - introduce a condition to stop */ /* for (i=1; i++; i<=its) improvtravn(root); */ for (i=1; i<=its; i++) improvtravn(root); } else { /* equal-daylight algorithm */ i = 0; do { maxchange = 0.0; improvtrav(root); i++; } while ((i < MAXITERATIONS) && (maxchange > MINIMUMCHANGE)); } } /* coordimprov */ void calculate() { /* compute coordinates for tree */ double xx, yy; long i; double nttot, fontheight, labangle=0, top, bot, rig, lef; for (i = 0; i < nextnode; i++) nodep[i]->width = 1.0; for (i = 0; i < nextnode; i++) nodep[i]->xcoord = 0.0; for (i = 0; i < nextnode; i++) nodep[i]->ycoord = 0.0; if (!uselengths) { for (i = 0; i < nextnode; i++) nodep[i]->length = 1.0; } else { for (i = 0; i < nextnode; i++) nodep[i]->length = fabs(nodep[i]->oldlen); } getwidth(root); nttot = root->width; for (i = 0; i < nextnode; i++) nodep[i]->width = nodep[i]->width * spp / nttot; plrtrans(root, treeangle, treeangle - ark / 2.0, treeangle + ark / 2.0); maxx = 0.0; minx = 0.0; maxy = 0.0; miny = 0.0; coordtrav(root, &xx,&yy); fontheight = heighttext(font,fontname); if (labeldirec == fixed) labangle = pi * labelrotation / 180.0; for (i = 0; i < nextnode; i++) { if (nodep[i]->tip) { textlength[i] = lengthtext(nodep[i]->nayme, nodep[i]->naymlength, fontname,font); textlength[i] /= fontheight; firstlet[i] = lengthtext(nodep[i]->nayme,1L,fontname,font) / fontheight; } } if (spp > 1) labelheight = charht * (maxx - minx) / (spp - 1); else labelheight = charht * (maxx - minx); if (improve) { coordimprov(&xx,&yy); maxx = 0.0; minx = 0.0; maxy = 0.0; miny = 0.0; coordtrav(root, &xx,&yy); } topoflabels = 0.0; bottomoflabels = 0.0; rightoflabels = 0.0; leftoflabels = 0.0; for (i = 0; i < nextnode; i++) { if (nodep[i]->tip) { if (labeldirec == radial) labangle = nodep[i]->theta; else if (labeldirec == along) labangle = nodep[i]->oldtheta; else if (labeldirec == middle) labangle = 0.0; if (cos(labangle) < 0.0 && labeldirec != fixed) labangle -= pi; firstlet[i] = lengthtext(nodep[i]->nayme,1L,fontname,font) / fontheight; top = (nodep[i]->ycoord - maxy) / labelheight + sin(nodep[i]->oldtheta); rig = (nodep[i]->xcoord - maxx) / labelheight + cos(nodep[i]->oldtheta); bot = (miny - nodep[i]->ycoord) / labelheight - sin(nodep[i]->oldtheta); lef = (minx - nodep[i]->xcoord) / labelheight - cos(nodep[i]->oldtheta); if (cos(labangle) * cos(nodep[i]->oldtheta) + sin(labangle) * sin(nodep[i]->oldtheta) > 0.0) { if (sin(labangle) > 0.0) top += sin(labangle) * textlength[i]; top += sin(labangle - 1.25 * pi) * GAP * firstlet[i]; if (sin(labangle) < 0.0) bot -= sin(labangle) * textlength[i]; bot -= sin(labangle - 0.75 * pi) * GAP * firstlet[i]; if (sin(labangle) > 0.0) rig += cos(labangle - 0.75 * pi) * GAP * firstlet[i]; else rig += cos(labangle - 1.25 * pi) * GAP * firstlet[i]; rig += cos(labangle) * textlength[i]; if (sin(labangle) > 0.0) lef -= cos(labangle - 1.25 * pi) * GAP * firstlet[i]; else lef -= cos(labangle - 0.75 * pi) * GAP * firstlet[i]; } else { if (sin(labangle) < 0.0) top -= sin(labangle) * textlength[i]; top += sin(labangle + 0.25 * pi) * GAP * firstlet[i]; if (sin(labangle) > 0.0) bot += sin(labangle) * textlength[i]; bot -= sin(labangle - 0.25 * pi) * GAP * firstlet[i]; if (sin(labangle) > 0.0) rig += cos(labangle - 0.25 * pi) * GAP * firstlet[i]; else rig += cos(labangle + 0.25 * pi) * GAP * firstlet[i]; if (sin(labangle) < 0.0) rig += cos(labangle) * textlength[i]; if (sin(labangle) > 0.0) lef -= cos(labangle + 0.25 * pi) * GAP * firstlet[i]; else lef -= cos(labangle - 0.25 * pi) * GAP * firstlet[i]; lef += cos(labangle) * textlength[i]; } if (top > topoflabels) topoflabels = top; if (bot > bottomoflabels) bottomoflabels = bot; if (rig > rightoflabels) rightoflabels = rig; if (lef > leftoflabels) leftoflabels = lef; } } topoflabels *= labelheight; bottomoflabels *= labelheight; leftoflabels *= labelheight; rightoflabels *= labelheight; } /* calculate */ void rescale() { /* compute coordinates of tree for plot or preview device */ long i; double treeheight, treewidth, extrax, extray, temp; treeheight = maxy - miny + topoflabels + bottomoflabels; treewidth = maxx - minx + rightoflabels + leftoflabels; if (grows == vertical) { if (!rescaled) expand = bscale; else { expand = (xsize - 2 * xmargin) / treewidth; if ((ysize - 2 * ymargin) / treeheight < expand) expand = (ysize - 2 * ymargin) / treeheight; } extrax = (xsize - 2 * xmargin - treewidth * expand) / 2.0; extray = (ysize - 2 * ymargin - treeheight * expand) / 2.0; } else { if (!rescaled) expand = bscale; else { expand = (ysize - 2 * ymargin) / treewidth; if ((xsize - 2 * xmargin) / treeheight < expand) expand = (xsize - 2 * xmargin) / treeheight; } extrax = (xsize - 2 * xmargin - treeheight * expand) / 2.0; extray = (ysize - 2 * ymargin - treewidth * expand) / 2.0; } for (i = 0; i < (nextnode); i++) { nodep[i]->xcoord = expand * (nodep[i]->xcoord - minx + leftoflabels); nodep[i]->ycoord = expand * (nodep[i]->ycoord - miny + bottomoflabels); if (grows == horizontal) { temp = nodep[i]->ycoord; nodep[i]->ycoord = expand * treewidth - nodep[i]->xcoord; nodep[i]->xcoord = temp; } nodep[i]->xcoord += xmargin + extrax; nodep[i]->ycoord += ymargin + extray; } } /* rescale */ void plottree(node *p, node *q) { /* plot part or all of tree on the plotting device */ double x1, y1, x2, y2; node *pp; x2 = xscale * (xoffset + p->xcoord); y2 = yscale * (yoffset + p->ycoord); if (p != root) { x1 = xscale * (xoffset + q->xcoord); y1 = yscale * (yoffset + q->ycoord); plot(penup, x1, y1); plot(pendown, x2, y2); } if (p->tip) return; pp = p->next; do { plottree(pp->back, p); pp = pp->next; } while (((p == root) && (pp != p->next)) || ((p != root) && (pp != p))); } /* plottree */ void plotlabels(char *fontname) { long i; double compr, dx = 0, dy = 0, labangle, sino, coso, cosl, sinl, cosv, sinv, vec; boolean left, right; node *lp; compr = xunitspercm / yunitspercm; if (penchange == yes) changepen(labelpen); for (i = 0; i < (nextnode); i++) { if (nodep[i]->tip) { lp = nodep[i]; labangle = labelrotation * pi / 180.0; if (labeldirec == radial) labangle = nodep[i]->theta; else if (labeldirec == along) labangle = nodep[i]->oldtheta; else if (labeldirec == middle) labangle = 0.0; if (cos(labangle) < 0.0) labangle -= pi; sino = sin(nodep[i]->oldtheta); coso = cos(nodep[i]->oldtheta); cosl = cos(labangle); sinl = sin(labangle); right = ((coso*cosl+sino*sinl) > 0.0) || (labeldirec == middle); left = !right; vec = sqrt(1.0+firstlet[i]*firstlet[i]); cosv = firstlet[i]/vec; sinv = 1.0/vec; if (labeldirec == middle) { if ((textlength[i]+1.0)*fabs(tan(nodep[i]->oldtheta)) > 2.0) { dx = -0.5 * textlength[i] * labelheight * expand; if (sino > 0.0) { dy = 0.5 * labelheight * expand; if (fabs(nodep[i]->oldtheta - pi/2.0) > 1000.0) dx += labelheight * expand / (2.0*tan(nodep[i]->oldtheta)); } else { dy = -1.5 * labelheight * expand; if (fabs(nodep[i]->oldtheta - pi/2.0) > 1000.0) dx += labelheight * expand / (2.0*tan(nodep[i]->oldtheta)); } } else { if (coso > 0.0) { dx = 0.5 * labelheight * expand; dy = (-0.5 + (0.5*textlength[i]+0.5)*tan(nodep[i]->oldtheta)) * labelheight * expand; } else { dx = -(textlength[i]+0.5) * labelheight * expand; dy = (-0.5 - (0.5*textlength[i]+0.5)*tan(nodep[i]->oldtheta)) * labelheight * expand; } } } else { if (right) { dx = labelheight * expand * coso; dy = labelheight * expand * sino; dx += labelheight * expand * 0.5 * vec * (-cosl*cosv+sinl*sinv); dy += labelheight * expand * 0.5 * vec * (-sinl*cosv-cosl*sinv); } else { dx = labelheight * expand * coso; dy = labelheight * expand * sino; dx += labelheight * expand * 0.5 * vec * (cosl*cosv+sinl*sinv); dy += labelheight * expand * 0.5 * vec * (sinl*cosv-cosl*sinv); dx -= textlength[i] * labelheight * expand * cosl; dy -= textlength[i] * labelheight * expand * sinl; } } plottext(lp->nayme, lp->naymlength, labelheight * expand * xscale / compr, compr, xscale * (lp->xcoord + dx + xoffset), yscale * (lp->ycoord + dy + yoffset), -180 * labangle / pi, font,fontname); } } if (penchange == yes) changepen(treepen); } /* plotlabels */ void user_loop() { /* loop to make preview window and decide what to do with it */ long loopcount; char input_char; while (!canbeplotted) { loopcount = 0; do { input_char=showparms(); firstscreens = false; if ( input_char != 'Y') getparms(input_char); countup(&loopcount, 10); } while (input_char != 'Y'); xscale = xunitspercm; yscale = yunitspercm; plotrparms(spp); numlines = dotmatrix ? ((long)floor(yunitspercm * ysize + 0.5) / strpdeep):1; calculate(); rescale(); canbeplotted = true; if (preview) canbeplotted=plotpreview(fontname,&xoffset,&yoffset,&scale,spp,root); else canbeplotted=plot_without_preview(fontname,&xoffset,&yoffset, &scale,spp,root); if ((previewer == winpreview || previewer == xpreview || previewer == mac) && (winaction == quitnow)) canbeplotted = true; } } /* user_loop */ void setup_environment(int argc, Char *argv[]) { /* Set up all kinds of fun stuff */ node *q, *r; char *pChar; double i; boolean firsttree; pointarray treenode = NULL; #ifdef MAC OSErr retcode; FInfo fndrinfo; macsetup("Drawtree","Preview"); #endif #ifdef TURBOC if ((registerbgidriver(EGAVGA_driver) <0) || (registerbgidriver(Herc_driver) <0) || (registerbgidriver(CGA_driver) <0)){ fprintf(stderr,"Graphics error: %s ",grapherrormsg(graphresult())); exxit(-1);} #endif printf("DRAWTREE from PHYLIP version %s\n", VERSION); openfile(&plotfile,PLOTFILE,"plot file", "w",argv[0],pltfilename); openfile(&intree,INTREE,"input tree file", "r",argv[0],NULL); printf("Reading tree ... \n"); firsttree = true; allocate_nodep(&nodep, &intree, &spp); treeread (intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initdrawtreenode); q = root; r = root; while (!(q->next == root)) q = q->next; q->next = root->next; root = q; chuck(&grbg, r); nodep[spp] = q; where = root; rotate = true; printf("Tree has been read.\n"); printf("Loading the font ... \n"); loadfont(font,argv[0]); printf("Font loaded.\n"); previewing = false; ansi = ANSICRT; ibmpc = IBMCRT; firstscreens = true; initialparms(); canbeplotted = false; if (argc > 1) { pChar = argv[1]; for (i = 0; i < strlen(pChar); i++) { if ( ! isdigit(*pChar) ) { /* set to default if the 2nd. parameter is not a number */ maxNumOfIter = 50; return; } else if ( isspace(*pChar) ) { printf("ERROR: Number of iteration should not contain space!\n"); exxit(1); } } sscanf(argv[1], "%li", &maxNumOfIter); } else { /* 2nd. argument is not entered; use default. */ maxNumOfIter = 50; } return; } /* setup_environment */ int main(int argc, Char *argv[]) { long stripedepth; #ifdef MAC char filename1[FNMLNGTH]; OSErr retcode; FInfo fndrinfo; SIOUXSetTitle("\pPHYLIP: Drawtree"); argv[0] = "Drawtree"; #endif #ifdef X nargc=argc; nargv=argv; #endif init(argc,argv); progname = argv[0]; grbg = NULL; setup_environment(argc, argv); user_loop(); if (dotmatrix) { stripedepth = allocstripe(stripe,(strpwide/8), ((long)(yunitspercm * ysize))); strpdeep = stripedepth; strpdiv = stripedepth; } if (!((previewer == winpreview || previewer == xpreview || previewer == mac) && (winaction == quitnow))) { previewing = false; initplotter(spp,fontname); numlines = dotmatrix ? ((long)floor(yunitspercm * ysize + 0.5)/strpdeep):1; if (plotter != ibm) printf("\nWriting plot file ...\n"); drawit(fontname,&xoffset,&yoffset,numlines,root); finishplotter(); } FClose(intree); FClose(plotfile); printf("\nPlot written to file \"%s\"\n\n", pltfilename); printf("Done.\n\n"); #ifdef MAC if (plotter == pict){ strcpy(filename1, pltfilename); retcode=GetFInfo(CtoPstr(filename1),0,&fndrinfo); fndrinfo.fdType='PICT'; fndrinfo.fdCreator='MDRW'; strcpy(filename1, pltfilename); retcode=SetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo);} if (plotter == lw){ retcode=GetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo); fndrinfo.fdType='TEXT'; retcode=SetFInfo(CtoPstr(PLOTFILE),0,&fndrinfo);} #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif exxit(0); return 1; } ./arbsrc_9167/GDE/PHYLIP/factor.c0000644012664100000130000003563711213220011016162 0ustar arb_buildcoders #include "phylip.h" /* version 3.6. (c) Copyright 1988-2002 by the University of Washington. A program to factor multistate character trees. Originally version 29 May 1983 by C. A. Meacham, Botany Department, University of Georgia Additional code by Joe Felsenstein, 1988-1991 C version code by Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxstates 20 /* Maximum number of states in multi chars */ #define maxoutput 80 /* Maximum length of output line */ #define sizearray 5000 /* Size of symbarray; must be >= the sum of */ /* squares of the number of states in each multi*/ /* char to be factored */ #define factchar ':' /* character to indicate state connections */ #define unkchar '?' /* input character to indicate state unknown */ typedef struct statenode { /* Node of multifurcating tree */ struct statenode *ancstr, *sibling, *descendant; Char state; /* Symbol of character state */ long edge; /* Number of subtending edge */ } statenode; #ifndef OLDC /* function prototypes */ void getoptions(void); void nextch(Char *ch); void readtree(void); void attachnodes(statenode *, Char *); void maketree(statenode *, Char *); void construct(void); void numberedges(statenode *, long *); void factortree(void); void dotrees(void); void writech(Char ch, long *); void writefactors(long *); void writeancestor(long *); void doeu(long *, long); void dodatamatrix(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH]; long neus, nchars, charindex, lastindex; Char ch; boolean ancstrrequest, factorrequest, rooted, progress; Char symbarray[sizearray]; /* Holds multi symbols and their factored equivs */ long *charnum; /* Multis */ long *chstart; /* Position of each */ long *numstates; /* Number of states */ Char *ancsymbol; /* Ancestral state */ /* local variables for dotrees, propagated to global level. */ long npairs, offset, charnumber, nstates; statenode *root; Char pair[maxstates][2]; statenode *nodes[maxstates]; void getoptions() { /* interactively set options */ Char ch; ibmpc = IBMCRT; ansi = ANSICRT; progress = true; factorrequest = false; ancstrrequest = false; putchar('\n'); for (;;){ printf(ansi ? "\033[2J\033[H" : "\n"); printf("\nFactor -- multistate to binary recoding program, version %s\n\n" ,VERSION); printf("Settings for this run:\n"); printf(" A put ancestral states in output file? %s\n", ancstrrequest ? "Yes" : "No"); printf(" F put factors information in output file? %s\n", factorrequest ? "Yes" : "No"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if (strchr("AF01", ch) != NULL) { switch (ch) { case 'A': ancstrrequest = !ancstrrequest; break; case 'F': factorrequest = !factorrequest; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': progress = !progress; break; } } else printf("Not a possible option!\n"); } } /* getoptions */ void nextch(Char *ch) { *ch = ' '; while (*ch == ' ' && !eoln(infile)) *ch = gettc(infile); } /* nextch */ void readtree() { /* Reads a single character-state tree; puts adjacent symbol pairs into array 'pairs' */ npairs = 0; while (!eoln(infile)) { nextch(&ch); if (eoln(infile)) break; npairs++; pair[npairs - 1][0] = ch; nextch(&ch); if (eoln(infile) || (ch != factchar)) { printf("\n\nERROR: Character %ld: bad character state tree format\n\n", charnumber); exxit(-1);} nextch(&pair[npairs - 1][1]); if (eoln(infile) && pair[npairs - 1][1] == ' '){ printf("\n\nERROR: Character %ld: bad character state tree format\n\n", charnumber); exxit(-1);} } scan_eoln(infile); } /* readtree */ void attachnodes(statenode *poynter, Char *otherone) { /* Makes linked list of all nodes to which passed node is ancestral. First such node is 'descendant'; second such node is 'sibling' of first; third such node is sibling of second; etc. */ statenode *linker, *ptr; long i, j, k; linker = poynter; for (i = 0; i < (npairs); i++) { for (j = 1; j <= 2; j++) { if (poynter->state == pair[i][j - 1]) { if (j == 1) *otherone = pair[i][1]; else *otherone = pair[i][0]; if (*otherone != '.' && *otherone != poynter->ancstr->state) { k = offset + 1; while (*otherone != symbarray[k - 1]) k++; if (nodes[k - offset - 1] != NULL) exxit(-1); ptr = (statenode *)Malloc(sizeof(statenode)); ptr->ancstr = poynter; ptr->descendant = NULL; ptr->sibling = NULL; ptr->state = *otherone; if (linker == poynter) /* If not first */ poynter->descendant = ptr; /* If first */ else linker->sibling = ptr; nodes[k - offset - 1] = ptr; /* Save pntr to node */ linker = ptr; } } } } } /* attachnodes */ void maketree(statenode *poynter, Char *otherone) { /* Recursively attach nodes */ if (poynter == NULL) return; attachnodes(poynter, otherone); maketree(poynter->descendant, otherone); maketree(poynter->sibling, otherone); } /* maketree */ void construct() { /* Puts tree together from array 'pairs' */ Char rootstate; long i, j, k; boolean done; statenode *poynter; char otherone; rooted = false; ancsymbol[charindex - 1] = '?'; rootstate = pair[0][0]; nstates = 0; for (i = 0; i < (npairs); i++) { for (j = 1; j <= 2; j++) { k = 1; done = false; while (!done) { if (k > nstates) { done = true; break; } if (pair[i][j - 1] == symbarray[offset + k - 1]) done = true; else k++; } if (k > nstates) { if (pair[i][j - 1] == '.') { if (rooted) exxit(-1); rooted = true; ancsymbol[charindex - 1] = '0'; if (j == 1) rootstate = pair[i][1]; else rootstate = pair[i][0]; } else { nstates++; symbarray[offset + nstates - 1] = pair[i][j - 1]; } } } } if ((rooted && nstates != npairs) || (!rooted && nstates != npairs + 1)) exxit(-1); root = (statenode *)Malloc(sizeof(statenode)); root->state = ' '; root->descendant = (statenode *)Malloc(sizeof(statenode)); root->descendant->ancstr = root; root = root->descendant; root->descendant = NULL; root->sibling = NULL; root->state = rootstate; for (i = 0; i < (nstates); i++) nodes[i] = NULL; i = 1; while (symbarray[offset + i - 1] != rootstate) i++; nodes[i - 1] = root; maketree(root, &otherone); for (i = 0; i < (nstates); i++) { if (nodes[i] != root) { if (nodes[i] == NULL){ printf( "\n\nERROR: Character %ld: invalid character state tree description\n", charnumber); exxit(-1);} else { poynter = nodes[i]->ancstr; while (poynter != root && poynter != nodes[i]) poynter = poynter->ancstr; if (poynter != root){ printf( "ERROR: Character %ld: invalid character state tree description\n\n", charnumber); exxit(-1);} } } } } /* construct */ void numberedges(statenode *poynter, long *edgenum) { /* Assign to each node a number for the edge below it. The root is zero */ if (poynter == NULL) return; poynter->edge = *edgenum; (*edgenum)++; numberedges(poynter->descendant, edgenum); numberedges(poynter->sibling, edgenum); } /* numberedges */ void factortree() { /* Generate the string of 0's and 1's that will be substituted for each symbol of the multistate char. */ long i, j, place, factoroffset; statenode *poynter; long edgenum=0; numberedges(root, &edgenum); factoroffset = offset + nstates; for (i = 0; i < (nstates); i++) { place = factoroffset + (nstates - 1) * i; for (j = place; j <= (place + nstates - 2); j++) symbarray[j] = '0'; poynter = nodes[i]; while (poynter != root) { symbarray[place + poynter->edge - 1] = '1'; poynter = poynter->ancstr; } } } /* factortree */ void dotrees() { /* Process character-state trees */ long lastchar; charindex = 0; lastchar = 0; offset = 0; charnumber = 0; fscanf(infile, "%ld", &charnumber); while (charnumber < 999) { if (charnumber < lastchar) { printf("\n\nERROR: Character state tree"); printf(" for character %ld: out of order\n\n", charnumber); exxit(-1); } charindex++; lastindex = charindex; readtree(); /* Process character-state tree */ if (npairs > 0) { construct(); /* Link tree together */ factortree(); } else { nstates = 0; ancsymbol[charindex - 1] = '?'; } lastchar = charnumber; charnum[charindex - 1] = charnumber; chstart[charindex - 1] = offset; numstates[charindex - 1] = nstates; offset += nstates * nstates; fscanf(infile, "%ld", &charnumber); } scan_eoln(infile); /* each multistate character */ /* symbol */ } /* dotrees */ void writech(Char ch, long *chposition) { /* Writes a single character to output */ if (*chposition > maxoutput) { putc('\n', outfile); *chposition = 1; } putc(ch, outfile); (*chposition)++; } /* writech */ void writefactors(long *chposition) { /* Writes 'FACTORS' line */ long i, charindex; Char symbol; fprintf(outfile, "FACTORS "); *chposition = 11; symbol = '-'; for (charindex = 0; charindex < (lastindex); charindex++) { if (symbol == '-') symbol = '+'; else symbol = '-'; if (numstates[charindex] == 0) writech(symbol, chposition); else { for (i = 1; i < (numstates[charindex]); i++) writech(symbol, chposition); } } putc('\n', outfile); } /* writefactors */ void writeancestor(long *chposition) { /* Writes 'ANCESTOR' line */ long i, charindex; charindex = 1; while (ancsymbol[charindex - 1] == '?') charindex++; if (charindex > lastindex) return; fprintf(outfile, "ANCESTOR "); *chposition = 11; for (charindex = 0; charindex < (lastindex); charindex++) { if (numstates[charindex] == 0) writech(ancsymbol[charindex], chposition); else { for (i = 1; i < (numstates[charindex]); i++) writech(ancsymbol[charindex], chposition); } } putc('\n', outfile); } /* writeancestor */ void doeu(long *chposition, long eu) { /* Writes factored data for a single species */ long i, charindex, place; Char *multichar; for (i = 1; i <= nmlngth; i++) { ch = gettc(infile); putc(ch, outfile); if ((ch == '(') || (ch == ')') || (ch == ':') || (ch == ',') || (ch == ';') || (ch == '[') || (ch == ']')) { printf( "\n\nERROR: Species name may not contain characters ( ) : ; , [ ] \n"); printf(" In name of species number %ld there is character %c\n\n", i+1, ch); exxit(-1); } } multichar = (Char *)Malloc(nchars*sizeof(Char)); *chposition = 11; for (i = 0; i < (nchars); i++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); } while (ch == ' '); multichar[i] = ch; } scan_eoln(infile); for (charindex = 0; charindex < (lastindex); charindex++) { if (numstates[charindex] == 0) writech(multichar[charnum[charindex] - 1], chposition); else { i = 1; while (symbarray[chstart[charindex] + i - 1] != multichar[charnum[charindex] - 1] && i <= numstates[charindex]) i++; if (i > numstates[charindex]) { if( multichar[charnum[charindex] - 1] == unkchar){ for (i = 1; i < (numstates[charindex]); i++) writech('?', chposition); } else { putc('\n', outfile); printf("\n\nERROR: In species %ld, multistate character %ld: ", eu, charnum[charindex]); printf("'%c' is not a documented state\n\n", multichar[charnum[charindex] - 1]); exxit(-1); } } else { place = chstart[charindex] + numstates[charindex] + (numstates[charindex] - 1) * (i - 1); for (i = 0; i <= (numstates[charindex] - 2); i++) writech(symbarray[place + i], chposition); } } } putc('\n', outfile); free(multichar); } /* doeu */ void dodatamatrix() { /* Reads species information and write factored data set */ long charindex, totalfactors, eu, chposition; totalfactors = 0; for (charindex = 0; charindex < (lastindex); charindex++) { if (numstates[charindex] == 0) totalfactors++; else totalfactors += numstates[charindex] - 1; } if (rooted && ancstrrequest) fprintf(outfile, "%5ld %4ld A\n", neus + 1, totalfactors); else fprintf(outfile, "%5ld %4ld\n", neus, totalfactors); if (factorrequest) writefactors(&chposition); if (ancstrrequest) writeancestor(&chposition); eu = 1; while (eu <= neus) { eu++; doeu(&chposition, eu); } if (progress) printf("\nData matrix written on file \"%s\"\n\n", outfilename); } /* dodatamatrix */ int main(int argc, Char *argv[]) { #ifdef MAC argc = 1; /* macsetup("Factor",""); */ argv[0] = "Factor"; #endif init(argc,argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); getoptions(); fscanf(infile, "%ld%ld%*[^\n]", &neus, &nchars); gettc(infile); charnum = (long *)Malloc(nchars*sizeof(long)); chstart = (long *)Malloc(nchars*sizeof(long)); numstates = (long *)Malloc(nchars*sizeof(long)); ancsymbol = (Char *)Malloc(nchars*sizeof(Char)); dotrees(); /* Read and factor character-state trees */ dodatamatrix(); FClose(infile); FClose(outfile); #ifdef MAC fixmacfile(outfilename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* factor */ ./arbsrc_9167/GDE/PHYLIP/fitch.c0000644012664100000130000006641411213220011015776 0ustar arb_buildcoders #include "phylip.h" #include "dist.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define smoothings 4 /* number of zero-branch correction iterations */ #define epsilonf 0.000001 /* a very small but not too small number */ #define delta 0.01 /* a not quite so small number */ #define MAXNUMTREES 1000000 /* a number bigger than conceivable numtrees */ #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void fitch_getinput(void); void secondtraverse(node *, double , long *, double *); void firsttraverse(node *, long *, double *); double evaluate(tree *); void nudists(node *, node *); void makedists(node *); void makebigv(node *); void correctv(node *); void alter(node *, node *); void nuview(node *); void update(node *); void smooth(node *); void filltraverse(node *, node *, boolean); void fillin(node *, node *, boolean); void insert_(node *, node *, boolean); void copynode(node *, node *); void copy_(tree *, tree *); void setuptipf(long, tree *); void buildnewtip(long , tree *, long); void buildsimpletree(tree *, long); void addtraverse(node *, node *, boolean, long *, boolean *); void re_move(node **, node **); void rearrange(node *, long *, long *, boolean *); void describe(node *); void summarize(long); void nodeinit(node *); void initrav(node *); void treevaluate(void); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH]; long nonodes2, outgrno, nums, col, datasets, ith, njumble, jumb=0; long inseed; vector *x; intvector *reps; boolean minev, global, jumble, lengths, usertree, lower, upper, negallowed, outgropt, replicates, trout, printdata, progress, treeprint, mulsets, firstset; double power; double trweight; /* to make treeread happy */ boolean goteof, haslengths; /* ditto ... */ boolean first; /* ditto ... */ longer seed; long *enterorder; tree curtree, priortree, bestree, bestree2; Char ch; char *progname; void getoptions() { /* interactively set options */ long inseed0=0, loopcount; Char ch; boolean done=false; putchar('\n'); minev = false; global = false; jumble = false; njumble = 1; lengths = false; lower = false; negallowed = false; outgrno = 1; outgropt = false; power = 2.0; replicates = false; trout = true; upper = false; usertree = false; printdata = false; progress = true; treeprint = true; loopcount = 0; do { cleerhome(); printf("\nFitch-Margoliash method version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" D Method (F-M, Minimum Evolution)? %s\n", (minev ? "Minimum Evolution" : "Fitch-Margoliash")); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (usertree) { printf(" N Use lengths from user trees? %s\n", (lengths ? "Yes" : "No")); } printf(" P Power?%9.5f\n",power); printf(" - Negative branch lengths allowed? %s\n", negallowed ? "Yes" : "No"); printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at species number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" L Lower-triangular data matrix?"); if (lower) printf(" Yes\n"); else printf(" No\n"); printf(" R Upper-triangular data matrix?"); if (upper) printf(" Yes\n"); else printf(" No\n"); printf(" S Subreplicates?"); if (replicates) printf(" Yes\n"); else printf(" No\n"); if (!usertree) { printf(" G Global rearrangements?"); if (global) printf(" Yes\n"); else printf(" No\n"); printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)?"); if (ibmpc) printf(" IBM PC\n"); if (ansi) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" 1 Print out the data at start of run"); if (printdata) printf(" Yes\n"); else printf(" No\n"); printf(" 2 Print indications of progress of run"); if (progress) printf(" Yes\n"); else printf(" No\n"); printf(" 3 Print out tree"); if (treeprint) printf(" Yes\n"); else printf(" No\n"); printf(" 4 Write out trees onto tree file?"); if (trout) printf(" Yes\n"); else printf(" No\n"); printf( "\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if (strchr("DJOUNPG-LRSM01234",ch) != NULL) { switch (ch) { case 'D': minev = !minev; if (minev && (!negallowed)) negallowed = true; break; case '-': negallowed = !negallowed; break; case 'G': global = !global; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lower = !lower; break; case 'N': lengths = !lengths; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'P': initpower(&power); break; case 'R': upper = !upper; break; case 'S': replicates = !replicates; break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); if (lower && upper) { printf("ERROR: Data matrix cannot be both uppeR and Lower triangular\n"); exxit(-1); } } /* getoptions */ void allocrest() { long i; x = (vector *)Malloc(spp*sizeof(vector)); reps = (intvector *)Malloc(spp*sizeof(intvector)); for (i=0;i 1) { alloctree(&bestree2.nodep, nonodes2); allocd(nonodes2, bestree2.nodep); allocw(nonodes2, bestree2.nodep); } } allocrest(); } /* doinit */ void inputoptions() { /* print options information */ if (!firstset) samenumsp2(ith); fprintf(outfile, "\nFitch-Margoliash method version %s\n\n",VERSION); if (minev) fprintf(outfile, "Minimum evolution method option\n\n"); fprintf(outfile, " __ __ 2\n"); fprintf(outfile, " \\ \\ (Obs - Exp)\n"); fprintf(outfile, "Sum of squares = /_ /_ ------------\n"); fprintf(outfile, " "); if (power == (long)power) fprintf(outfile, "%2ld\n", (long)power); else fprintf(outfile, "%4.1f\n", power); fprintf(outfile, " i j Obs\n\n"); fprintf(outfile, "Negative branch lengths "); if (!negallowed) fprintf(outfile, "not "); fprintf(outfile, "allowed\n\n"); if (global) fprintf(outfile, "global optimization\n\n"); } /* inputoptions */ void fitch_getinput() { /* reads the input data */ inputoptions(); } /* fitch_getinput */ void secondtraverse(node *q, double y, long *nx, double *sum) { /* from each of those places go back to all others */ /* nx comes from firsttraverse */ /* sum comes from evaluate via firsttraverse */ double z=0.0, TEMP=0.0; z = y + q->v; if (q->tip) { TEMP = q->d[(*nx) - 1] - z; *sum += q->w[(*nx) - 1] * (TEMP * TEMP); } else { secondtraverse(q->next->back, z, nx, sum); secondtraverse(q->next->next->back, z, nx,sum); } } /* secondtraverse */ void firsttraverse(node *p, long *nx, double *sum) { /* go through tree calculating branch lengths */ if (minev && (p != curtree.start)) *sum += p->v; if (p->tip) { if (!minev) { *nx = p->index; secondtraverse(p->back, 0.0, nx, sum); } } else { firsttraverse(p->next->back, nx,sum); firsttraverse(p->next->next->back, nx,sum); } } /* firsttraverse */ double evaluate(tree *t) { double sum=0.0; long nx=0; /* evaluate likelihood of a tree */ firsttraverse(t->start->back ,&nx, &sum); firsttraverse(t->start, &nx, &sum); if ((!minev) && replicates && (lower || upper)) sum /= 2; t->likelihood = -sum; return (-sum); } /* evaluate */ void nudists(node *x, node *y) { /* compute distance between an interior node and tips */ long nq=0, nr=0, nx=0, ny=0; double dil=0, djl=0, wil=0, wjl=0, vi=0, vj=0; node *qprime, *rprime; qprime = x->next; rprime = qprime->next->back; qprime = qprime->back; ny = y->index; dil = qprime->d[ny - 1]; djl = rprime->d[ny - 1]; wil = qprime->w[ny - 1]; wjl = rprime->w[ny - 1]; vi = qprime->v; vj = rprime->v; x->w[ny - 1] = wil + wjl; if (wil + wjl <= 0.0) x->d[ny - 1] = 0.0; else x->d[ny - 1] = ((dil - vi) * wil + (djl - vj) * wjl) / (wil + wjl); nx = x->index; nq = qprime->index; nr = rprime->index; dil = y->d[nq - 1]; djl = y->d[nr - 1]; wil = y->w[nq - 1]; wjl = y->w[nr - 1]; y->w[nx - 1] = wil + wjl; if (wil + wjl <= 0.0) y->d[nx - 1] = 0.0; else y->d[nx - 1] = ((dil - vi) * wil + (djl - vj) * wjl) / (wil + wjl); } /* nudists */ void makedists(node *p) { /* compute distances among three neighbors of a node */ long i=0, nr=0, ns=0; node *q, *r, *s; r = p->back; nr = r->index; for (i = 1; i <= 3; i++) { q = p->next; s = q->back; ns = s->index; if (s->w[nr - 1] + r->w[ns - 1] <= 0.0) p->dist = 0.0; else p->dist = (s->w[nr - 1] * s->d[nr - 1] + r->w[ns - 1] * r->d[ns - 1]) / (s->w[nr - 1] + r->w[ns - 1]); p = q; r = s; nr = ns; } } /* makedists */ void makebigv(node *p) { /* make new branch length */ long i=0; node *temp, *q, *r; q = p->next; r = q->next; for (i = 1; i <= 3; i++) { if (p->iter) { p->v = (p->dist + r->dist - q->dist) / 2.0; p->back->v = p->v; } temp = p; p = q; q = r; r = temp; } } /* makebigv */ void correctv(node *p) { /* iterate branch lengths if some are to be zero */ node *q, *r, *temp; long i=0, j=0, n=0, nq=0, nr=0, ntemp=0; double wq=0.0, wr=0.0; q = p->next; r = q->next; n = p->back->index; nq = q->back->index; nr = r->back->index; for (i = 1; i <= smoothings; i++) { for (j = 1; j <= 3; j++) { if (p->iter) { wr = r->back->w[n - 1] + p->back->w[nr - 1]; wq = q->back->w[n - 1] + p->back->w[nq - 1]; if (wr + wq <= 0.0 && !negallowed) p->v = 0.0; else p->v = ((p->dist - q->v) * wq + (r->dist - r->v) * wr) / (wr + wq); if (p->v < 0 && !negallowed) p->v = 0.0; p->back->v = p->v; } temp = p; p = q; q = r; r = temp; ntemp = n; n = nq; nq = nr; nr = ntemp; } } } /* correctv */ void alter(node *x, node *y) { /* traverse updating these views */ nudists(x, y); if (!y->tip) { alter(x, y->next->back); alter(x, y->next->next->back); } } /* alter */ void nuview(node *p) { /* renew information about subtrees */ long i=0; node *q, *r, *pprime, *temp; q = p->next; r = q->next; for (i = 1; i <= 3; i++) { temp = p; pprime = p->back; alter(p, pprime); p = q; q = r; r = temp; } } /* nuview */ void update(node *p) { /* update branch lengths around a node */ if (p->tip) return; makedists(p); if (p->iter || p->next->iter || p->next->next->iter) { makebigv(p); correctv(p); } nuview(p); } /* update */ void smooth(node *p) { /* go through tree getting new branch lengths and views */ if (p->tip) return; update(p); smooth(p->next->back); smooth(p->next->next->back); } /* smooth */ void filltraverse(node *pb, node *qb, boolean contin) { if (qb->tip) return; if (contin) { filltraverse(pb, qb->next->back,contin); filltraverse(pb, qb->next->next->back,contin); nudists(qb, pb); return; } if (!qb->next->back->tip) nudists(qb->next->back, pb); if (!qb->next->next->back->tip) nudists(qb->next->next->back, pb); } /* filltraverse */ void fillin(node *pa, node *qa, boolean contin) { if (!pa->tip) { fillin(pa->next->back, qa, contin); fillin(pa->next->next->back, qa, contin); } filltraverse(pa, qa, contin); } /* fillin */ void insert_(node *p, node *q, boolean contin_) { /* put p and q together and iterate info. on resulting tree */ double x=0.0, oldlike, dummy; hookup(p->next->next, q->back); hookup(p->next, q); x = q->v / 2.0; p->v = 0.0; p->back->v = 0.0; p->next->v = x; p->next->back->v = x; p->next->next->back->v = x; p->next->next->v = x; fillin(p->back, p, contin_); dummy = evaluate(&curtree); do { oldlike = curtree.likelihood; smooth(p); smooth(p->back); dummy = evaluate(&curtree); } while (fabs(curtree.likelihood - oldlike) > delta); } /* insert_ */ void copynode(node *c, node *d) { /* make a copy of a node */ memcpy(d->d, c->d, nonodes2*sizeof(double)); memcpy(d->w, c->w, nonodes2*sizeof(double)); d->v = c->v; d->iter = c->iter; d->dist = c->dist; d->xcoord = c->xcoord; d->ycoord = c->ycoord; d->ymin = c->ymin; d->ymax = c->ymax; } /* copynode */ void copy_(tree *a, tree *b) { /* make a copy of a tree */ long i, j=0; node *p, *q; for (i = 0; i < spp; i++) { copynode(a->nodep[i], b->nodep[i]); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes2; i++) { p = a->nodep[i]; q = b->nodep[i]; for (j = 1; j <= 3; j++) { copynode(p, q); if (p->back) { if (p->back == a->nodep[p->back->index - 1]) q->back = b->nodep[p->back->index - 1]; else if (p->back == a->nodep[p->back->index - 1]->next) q->back = b->nodep[p->back->index - 1]->next; else q->back = b->nodep[p->back->index - 1]->next->next; } else q->back = NULL; p = p->next; q = q->next; } } b->likelihood = a->likelihood; b->start = a->start; } /* copy_ */ void setuptipf(long m, tree *t) { /* initialize branch lengths and views in a tip */ long i=0; intvector n=(long *)Malloc(spp * sizeof(long)); node *WITH; WITH = t->nodep[m - 1]; memcpy(WITH->d, x[m - 1], (nonodes2 * sizeof(double))); memcpy(n, reps[m - 1], (spp * sizeof(long))); for (i = 0; i < spp; i++) { if (i + 1 != m && n[i] > 0) { if (WITH->d[i] < epsilonf) WITH->d[i] = epsilonf; WITH->w[i] = n[i] / exp(power * log(WITH->d[i])); } else { WITH->w[m - 1] = 0.0; WITH->d[m - 1] = 0.0; } } for (i = spp; i < nonodes2; i++) { WITH->w[i] = 1.0; WITH->d[i] = 0.0; } WITH->index = m; if (WITH->iter) WITH->v = 0.0; free(n); } /* setuptipf */ void buildnewtip(long m, tree *t, long nextsp) { /* initialize and hook up a new tip */ node *p; setuptipf(m, t); p = t->nodep[nextsp + spp - 3]; hookup(t->nodep[m - 1], p); } /* buildnewtip */ void buildsimpletree(tree *t, long nextsp) { /* make and initialize a three-species tree */ curtree.start=curtree.nodep[enterorder[0] - 1]; setuptipf(enterorder[0], t); setuptipf(enterorder[1], t); hookup(t->nodep[enterorder[0] - 1], t->nodep[enterorder[1] - 1]); buildnewtip(enterorder[2], t, nextsp); insert_(t->nodep[enterorder[2] - 1]->back, t->nodep[enterorder[0] - 1], false); } /* buildsimpletree */ void addtraverse(node *p, node *q, boolean contin, long *numtrees, boolean *succeeded) { /* traverse through a tree, finding best place to add p */ insert_(p, q, true); (*numtrees)++; if (evaluate(&curtree) > bestree.likelihood){ copy_(&curtree, &bestree); (*succeeded)=true; } copy_(&priortree, &curtree); if (!q->tip && contin) { addtraverse(p, q->next->back, contin,numtrees,succeeded); addtraverse(p, q->next->next->back, contin,numtrees,succeeded); } } /* addtraverse */ void re_move(node **p, node **q) { /* re_move p and record in q where it was */ *q = (*p)->next->back; hookup(*q, (*p)->next->next->back); (*p)->next->back = NULL; (*p)->next->next->back = NULL; update(*q); update((*q)->back); } /* re_move */ void rearrange(node *p, long *numtrees, long *nextsp, boolean *succeeded) { node *q, *r; if (!p->tip && !p->back->tip) { r = p->next->next; re_move(&r, &q); copy_(&curtree, &priortree); addtraverse(r, q->next->back, (boolean)(global && ((*nextsp) == spp)), numtrees,succeeded); addtraverse(r, q->next->next->back, (boolean)(global && ((*nextsp) == spp)), numtrees,succeeded); copy_(&bestree, &curtree); if (global && ((*nextsp) == spp)) { putchar('.'); fflush(stdout); } if (global && ((*nextsp) == spp) && !(*succeeded)) { if (r->back->tip) { r = r->next->next; re_move(&r, &q); q = q->back; copy_(&curtree, &priortree); if (!q->tip) { addtraverse(r, q->next->back, true, numtrees,succeeded); addtraverse(r, q->next->next->back, true, numtrees,succeeded); } q = q->back; if (!q->tip) { addtraverse(r, q->next->back, true, numtrees,succeeded); addtraverse(r, q->next->next->back, true, numtrees,succeeded); } copy_(&bestree, &curtree); } } } if (!p->tip) { rearrange(p->next->back, numtrees,nextsp,succeeded); rearrange(p->next->next->back, numtrees,nextsp,succeeded); } } /* rearrange */ void describe(node *p) { /* print out information for one branch */ long i=0; node *q; q = p->back; fprintf(outfile, "%4ld ", q->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, "%15.5f\n", q->v); if (!p->tip) { describe(p->next->back); describe(p->next->next->back); } } /* describe */ void summarize(long numtrees) { /* print out branch lengths etc. */ long i, j, totalnum; fprintf(outfile, "\nremember:"); if (outgropt) fprintf(outfile, " (although rooted by outgroup)"); fprintf(outfile, " this is an unrooted tree!\n\n"); if (!minev) fprintf(outfile, "Sum of squares = %11.5f\n\n", -curtree.likelihood); else fprintf(outfile, "Sum of branch lengths = %11.5f\n\n", -curtree.likelihood); if ((power == 2.0) && !minev) { totalnum = 0; for (i = 1; i <= nums; i++) { for (j = 1; j <= nums; j++) { if (i != j) totalnum += reps[i - 1][j - 1]; } } fprintf(outfile, "Average percent standard deviation = "); fprintf(outfile, "%11.5f\n\n", 100 * sqrt(-curtree.likelihood / (totalnum - 2))); } fprintf(outfile, "Between And Length\n"); fprintf(outfile, "------- --- ------\n"); describe(curtree.start->next->back); describe(curtree.start->next->next->back); describe(curtree.start->back); fprintf(outfile, "\n\n"); if (trout) { col = 0; treeout(curtree.start, &col, 0.43429445222, true, curtree.start); } } /* summarize */ void nodeinit(node *p) { /* initialize a node */ long i, j; for (i = 1; i <= 3; i++) { for (j = 0; j < nonodes2; j++) { p->w[j] = 1.0; p->d[j] = 0.0; } p = p->next; } if (p->iter) p->v = 1.0; if (p->back->iter) p->back->v = 1.0; } /* nodeinit */ void initrav(node *p) { /* traverse to initialize */ if (p->tip) return; nodeinit(p); initrav(p->next->back); initrav(p->next->next->back); } /* initrav */ void treevaluate() { /* evaluate user-defined tree, iterating branch lengths */ long i; double dummy, oldlike; for (i = 1; i <= spp; i++) setuptipf(i, &curtree); initrav(curtree.start); if (curtree.start->back != NULL) { initrav(curtree.start->back); dummy = evaluate(&curtree); do { oldlike = curtree.likelihood; smooth(curtree.start); dummy = evaluate(&curtree); } while (fabs(curtree.likelihood - oldlike) > delta); } dummy = evaluate(&curtree); } /* treevaluate */ void maketree() { /* contruct the tree */ long nextsp,numtrees; boolean succeeded=false; long i, j, which; if (usertree) { inputdata(replicates, printdata, lower, upper, x, reps); setuptree(&curtree, nonodes2); for (which = 1; which <= spp; which++) setuptipf(which, &curtree); if (eoln(infile)) scan_eoln(infile); openfile(&intree,INTREE,"input tree file","r",progname,intreename); numtrees = countsemic(&intree); if (numtrees > MAXNUMTREES) { printf("\nERROR: number of input trees is read incorrectly from %s\n", intreename); exxit(-1); } if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } first = true; which = 1; while (which <= numtrees) { treeread2 (intree, &curtree.start, curtree.nodep, lengths, &trweight, &goteof, &haslengths, &spp); nums = spp; curtree.start = curtree.nodep[outgrno - 1]->back; treevaluate(); printree(curtree.start, treeprint, false, false); summarize(numtrees); which++; } FClose(intree); } else { if (jumb == 1) { inputdata(replicates, printdata, lower, upper, x, reps); setuptree(&curtree, nonodes2); setuptree(&priortree, nonodes2); setuptree(&bestree, nonodes2); if (njumble > 1) setuptree(&bestree2, nonodes2); } for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); nextsp = 3; buildsimpletree(&curtree, nextsp); curtree.start = curtree.nodep[enterorder[0] - 1]->back; if (jumb == 1) numtrees = 1; nextsp = 4; if (progress) { printf("Adding species:\n"); writename(0, 3, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } while (nextsp <= spp) { nums = nextsp; buildnewtip(enterorder[nextsp - 1], &curtree, nextsp); copy_(&curtree, &priortree); bestree.likelihood = -99999.0; addtraverse(curtree.nodep[enterorder[nextsp - 1] - 1]->back, curtree.start, true, &numtrees,&succeeded); copy_(&bestree, &curtree); if (progress) { writename(nextsp - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } if (global && nextsp == spp) { if (progress) { printf("Doing global rearrangements\n"); printf(" !"); for (j = 1; j <= (spp - 2); j++) putchar('-'); printf("!\n"); printf(" "); } } succeeded = true; while (succeeded) { succeeded = false; rearrange(curtree.start, &numtrees,&nextsp,&succeeded); if (global && ((nextsp) == spp) && progress) printf("\n "); } if (global && nextsp == spp) { putc('\n', outfile); if (progress) putchar('\n'); } if (njumble > 1) { if (jumb == 1 && nextsp == spp) copy_(&bestree, &bestree2); else if (nextsp == spp) { if (bestree2.likelihood < bestree.likelihood) copy_(&bestree, &bestree2); } } if (nextsp == spp && jumb == njumble) { if (njumble > 1) copy_(&bestree2, &curtree); curtree.start = curtree.nodep[outgrno - 1]->back; printree(curtree.start, treeprint, true, false); summarize(numtrees); } nextsp++; } } if (jumb == njumble && progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) { printf("Tree also written onto file \"%s\"\n", outtreename); putchar('\n'); } } } /* maketree */ int main(int argc, Char *argv[]) { int i; #ifdef MAC argc = 1; /* macsetup("Fitch",""); */ argv[0]="Fitch"; #endif init(argc,argv); progname = argv[0]; openfile(&infile,INFILE,"input file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; datasets = 1; firstset = true; doinit(); if (trout) openfile(&outtree,OUTTREE,"output tree file","w",argv[0],outtreename); for (i=0;i 1) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("\nData set # %ld:\n\n",ith); } fitch_getinput(); for (jumb = 1; jumb <= njumble; jumb++) maketree(); firstset = false; if (eoln(infile) && (ith < datasets)) scan_eoln(infile); } if (trout) FClose(outtree); FClose(outfile); FClose(infile); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } ./arbsrc_9167/GDE/PHYLIP/gendist.c0000644012664100000130000002072011213220011016324 0ustar arb_buildcoders#include "phylip.h" /* version 3.6. (c) Copyright 1993-1997 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define epsilong 0.02 /* a small number */ #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void getalleles(void); void inputdata(void); void getinput(void); void makedists(void); void writedists(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH]; long loci, totalleles, df, datasets, ith; long nonodes; long *alleles; phenotype3 *x; double **d; boolean all, cavalli, lower, nei, reynolds, mulsets, firstset, progress; void getoptions() { /* interactively set options */ long loopcount; Char ch; all = false; cavalli = false; lower = false; nei = true; reynolds = false; lower = false; progress = true; loopcount = 0; for (;;) { cleerhome(); printf("\nGenetic Distance Matrix program, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" A Input file contains all alleles at each locus? %s\n", all ? "Yes" : "One omitted at each locus"); printf(" N Use Nei genetic distance? %s\n", nei ? "Yes" : "No"); printf(" C Use Cavalli-Sforza chord measure? %s\n", cavalli ? "Yes" : "No"); printf(" R Use Reynolds genetic distance? %s\n", reynolds ? "Yes" : "No"); printf(" L Form of distance matrix? %s\n", lower ? "Lower-triangular" : "Square"); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print indications of progress of run? %s\n", progress ? "Yes" : "No"); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if (strchr("ACNMRL01", ch) != NULL) { switch (ch) { case 'A': all = !all; break; case 'C': cavalli = true; nei = false; reynolds = false; break; case 'N': cavalli = false; nei = true; reynolds = false; break; case 'R': reynolds = true; cavalli = false; nei = false; break; case 'L': lower = !lower; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case '0': initterminal(&ibmpc, &ansi); break; case '1': progress = !progress; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } putchar('\n'); } /* getoptions */ void allocrest() { long i; x = (phenotype3 *)Malloc(spp*sizeof(phenotype3)); d = (double **)Malloc(spp*sizeof(double *)); for (i = 0; i < (spp); i++) d[i] = (double *)Malloc(spp*sizeof(double)); alleles = (long *)Malloc(loci*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &loci, &nonodes, 1); getoptions(); allocrest(); } /* doinit */ void getalleles() { long i; if (!firstset) samenumsp(&loci, ith); totalleles = 0; scan_eoln(infile); for (i = 0; i < (loci); i++) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld", &alleles[i]); totalleles += alleles[i]; } df = totalleles - loci; } /* getalleles */ void inputdata() { /* read allele frequencies */ long i, j, k, m, n, p; double sum; for (i = 0; i < spp; i++) x[i] = (phenotype3)Malloc(totalleles*sizeof(double)); for (i = 1; i <= (spp); i++) { scan_eoln(infile); initname(i-1); m = 1; p = 1; for (j = 1; j <= (loci); j++) { sum = 0.0; if (all) n = alleles[j - 1]; else n = alleles[j - 1] - 1; for (k = 1; k <= n; k++) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%lf", &x[i - 1][m - 1]); sum += x[i - 1][m - 1]; if (x[i - 1][m - 1] < 0.0) { printf("\n\nERROR: Locus %ld in species %ld: an allele", j, i); printf(" frequency is negative\n\n"); exxit(-1); } p++; m++; } if (all && fabs(sum - 1.0) > epsilong) { printf( "\n\nERROR: Locus %ld in species %ld: frequencies do not add up to 1\n\n", j, i); exxit(-1); } if (!all) { x[i - 1][m - 1] = 1.0 - sum; if (x[i-1][m-1] < -epsilong) { printf("\n\nERROR: Locus %ld in species %ld: ",j,i); printf("frequencies add up to more than 1\n\n"); exxit(-1); } m++; } } } } /* inputdata */ void getinput() { /* read the input data */ getalleles(); inputdata(); } /* getinput */ void makedists() { long i, j, k; double s, s1, s2, s3, f; double TEMP; if (progress) printf("Distances calculated for species\n"); for (i = 0; i < spp; i++) d[i][i] = 0.0; for (i = 1; i <= spp; i++) { if (progress) { #ifdef WIN32 phyFillScreenColor(); #endif printf(" "); for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); printf(" "); } for (j = 0; j <= i - 1; j++) { if (cavalli) { s = 0.0; for (k = 0; k < (totalleles); k++) { f = x[i - 1][k] * x[j][k]; if (f > 0.0) s += sqrt(f); else f = 0.0; } d[i - 1][j] = 4 * (loci - s) / df; } if (nei) { s1 = 0.0; s2 = 0.0; s3 = 0.0; for (k = 0; k < (totalleles); k++) { s1 += x[i - 1][k] * x[j][k]; TEMP = x[i - 1][k]; s2 += TEMP * TEMP; TEMP = x[j][k]; s3 += TEMP * TEMP; } if (s1 <= 1.0e-20) { d[i - 1][j] = -1.0; printf("\nWARNING: INFINITE DISTANCE BETWEEN SPECIES "); printf("%ld AND %ld; -1.0 WAS WRITTEN\n", i, j); } else d[i - 1][j] = fabs(-log(s1 / sqrt(s2 * s3))); } if (reynolds) { s1 = 0.0; s2 = 0.0; for (k = 0; k < (totalleles); k++) { TEMP = x[i - 1][k] - x[j][k]; s1 += TEMP * TEMP; s2 += x[i - 1][k] * x[j][k]; } d[i - 1][j] = s1 / (loci * 2 - 2 * s2); } if (progress) { putchar('.'); fflush(stdout); } d[j][i - 1] = d[i - 1][j]; } if (progress) { putchar('\n'); fflush(stdout); } } if (progress) { putchar('\n'); fflush(stdout); } } /* makedists */ void writedists() { long i, j, k; fprintf(outfile, "%5ld\n", spp); for (i = 0; i < (spp); i++) { for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); if (lower) k = i; else k = spp; for (j = 1; j <= k; j++) { fprintf(outfile, "%8.4f", d[i][j - 1]); if ((j + 1) % 9 == 0 && j < k) putc('\n', outfile); } putc('\n', outfile); } if (progress) printf("Distances written to file \"%s\"\n\n", outfilename); } /* writedists */ int main(int argc, Char *argv[]) { /* main program */ #ifdef MAC argc = 1; /* macsetup("Gendist",""); */ argv[0] = "Gendist"; #endif init(argc, argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; firstset = true; datasets = 1; doinit(); for (ith = 1; ith <= (datasets); ith++) { getinput(); firstset = false; if ((datasets > 1) && progress) printf("\nData set # %ld:\n\n",ith); makedists(); writedists(); } FClose(infile); FClose(outfile); #ifdef MAC fixmacfile(outfilename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } ./arbsrc_9167/GDE/PHYLIP/hermite.c0000644012664100000130000003370511213220011016333 0ustar arb_buildcodersFrom beerli@genetics.washington.edu Tue Mar 13 15:47:38 2001 Received: from darwin.genetics.washington.edu (darwin.genetics.washington.edu [128.95.144.42]) by evolution.genetics.washington.edu (8.9.3/8.9.3) with ESMTP id PAA17484 for ; Tue, 13 Mar 2001 15:47:38 -0800 (PST) Received: from localhost (beerli@localhost) by darwin.genetics.washington.edu (8.9.3/8.9.3) with ESMTP id PAA10268 for ; Tue, 13 Mar 2001 15:47:38 -0800 X-Authentication-Warning: darwin.genetics.washington.edu: beerli owned process doing -bs Date: Tue, 13 Mar 2001 15:47:38 -0800 (PST) From: Peter Beerli To: Felsenstein Joe Subject: hermite a fini laguerre Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Status: RO I have two files included below, and you certainly need to adapt them for phylip. the hermit stuff contains the word hermite and its main function is inthermitcat() I ripped the initgammacat into a simple driver. laguerre.c contains a simple test program that can be compiled using gcc -DLAGUERRE_TEST laguerre.c -o laguerretest -lm Peter -- /* laguerre.h */ #ifndef _LAGUERRE_H_ #define _LAGUERRE_H_ /*------------------------------------------------------ Maximum likelihood estimation of migration rate and effectice population size using a Metropolis-Hastings Monte Carlo algorithm ------------------------------------------------------- Laguerre integration R O U T I N E S Peter Beerli 2000, Seattle beerli@genetics.washington.edu $Id: hermite.c 5458 2008-07-16 15:24:20Z baderk $ -------------------------------------------------------*/ extern void integrate_laguerre(long categs, double *rate, double *probcat, double (*func)(double, helper_fmt *), helper_fmt *helper, double *result, double *rmax); extern void initgammacat (long categs, double alpha, double theta1, double *rate, double *probcat); #endif /* laguerre.c */ /* (mutation) rates following a Gamma distribution using orthogonal polynomials for finding rates and LOG(probabilities) [based on initgammacat of Joe Felsenstein] - Generalized Laguerre (routine by Joe Felsenstein 2000) defining points for a Gamma distribution with shape parameter alpha and location parameter beta=1/alpha [mean=1, std = 1/alpha^2] - Hermite (approximates a normal and is activated when the shape parameter alpha is > 100.) Part of Migrate (Lamarc package) http://evolution.genetics.washington.edu/lamarc.html Peter Beerli, Seattle 2001 $Id: hermite.c 5458 2008-07-16 15:24:20Z baderk $ */ #include "migration.h" #include "laguerre.h" #include "tools.h" #define SQRTPI 1.7724538509055160273 #define SQRT2 1.4142135623730950488 /*this triggers the test main() and is called with gcc -DLAGUERRE_TEST -g laguerre.c -o laguerre -lm*/ #ifdef LAGUERRE_TEST /* at the end is a test main to help test if the root/weights finding is OK*/ /* if machine has lgamma() use it otherwise use lgamma from tools.h*/ #undef LGAMMA #define LGAMMA lgamma /* for migrate this is defined in tools.h */ double logfac (long n) { /* log(n!) values were calculated with Mathematica with a precision of 30 digits */ switch (n) { case 0: return 0.; case 1: return 0.; case 2: return 0.693147180559945309417232121458; case 3: return 1.791759469228055000812477358381; case 4: return 3.1780538303479456196469416013; case 5: return 4.78749174278204599424770093452; case 6: return 6.5792512120101009950601782929; case 7: return 8.52516136106541430016553103635; case 8: return 10.60460290274525022841722740072; case 9: return 12.80182748008146961120771787457; case 10: return 15.10441257307551529522570932925; case 11: return 17.50230784587388583928765290722; case 12: return 19.98721449566188614951736238706; default: return LGAMMA(n + 1.); } } #endif /* prototypes */ double hermite(long n, double x); void root_hermite(long n, double *hroot); double halfroot(double (*func)(long m, double x), long n, double startx, double delta); void hermite_weight(long n, double * hroot, double * weights); void inithermitcat(long categs, double alpha, double theta1, double *rate, double *probcat); double glaguerre (long m, double b, double x); void initlaguerrecat(long categs, double alpha, double theta1, double *rate, double *probcat); void roots_laguerre(long m, double b, double **lgroot); void initgammacat (long categs, double alpha, double theta1, double *rate, double *probcat); void integrate_laguerre(long categs, double *rate, double *probcat, double (*func)(double theta, helper_fmt * b), helper_fmt *helper, double *result, double *rmax); /*------------------------------------------------------ Generalized Laguerre polynomial computed recursively. For use by initgammacat */ double glaguerre (long m, double b, double x) { long i; double gln, glnm1, glnp1; /* L_n, L_(n-1), L_(n+1) */ if (m == 0) return 1.0; else { if (m == 1) return 1.0 + b - x; else { gln = 1.0 + b - x; glnm1 = 1.0; for (i = 2; i <= m; i++) { glnp1 = ((2 * (i - 1) + b + 1.0 - x) * gln - (i - 1 + b) * glnm1) / i; glnm1 = gln; gln = glnp1; } return gln; } } } /* glaguerre */ /* calculates hermite polynomial with degree n and parameter x */ /* seems to be unprecise for n>13 -> root finder does not converge*/ double hermite(long n, double x) { double h1 = 1.; double h2 = 2. * x; double xx = 2. * x; long i; for(i = 1; i < n; i++) { xx = 2. * x * h2 - 2. * (i) * h1; h1 = h2; h2 = xx; } return xx; } void root_hermite(long n, double *hroot) { long z=0; long ii; long start; if(n % 2 == 0) { start = n/2; z = 1; } else { start = n/2 + 1; z=2; hroot[start-1] = 0.0; } for(ii=start; ii EPSILON) { /* is root outside of our bracket?*/ if((fu<0.0 && fl<0.0) || (fu>0.0 && fl > 0.0)) { xu += delta; fu = (*func)(n, xu); fl = (*func)(n, xl); gradient = (fl-fu)/(xl-xu); down = gradient < 0 ? TRUE : FALSE; } else { xm = xl - fl / gradient; fm = (*func)(n, xm); if(down) { if(fm > 0.) { xl = xm; fl = fm; } else { xu = xm; fu = fm; } } else { if(fm > 0.) { xu = xm; fu = fm; } else { xl = xm; fl = fm; } } gradient = (fl-fu)/(xl-xu); } } return xm; } // calculate the weights for the hermite polynomial // at the roots // using formula Abramowitz and Stegun chapter 25.4.46 p.890 void hermite_weight(long n, double * hroot, double * weights) { long i; double hr2; double nominator = exp(LOG2 * ( n-1.) + logfac(n)) * SQRTPI / (n*n); for(i=0;i 0.0)) || ((!dwn) && (y < 0.0))); upper = x; } while (upper - lower > 0.000000001) { x = (upper + lower) / 2.0; if ((tmp=glaguerre (m, b, x)) > 0.0) { if (dwn) lower = x; else upper = x; } else { if (dwn) upper = x; else lower = x; } } lgroot[m][i] = (lower + upper) / 2.0; dwn = !dwn; /* switch for next one */ } } } /* root_laguerre */ void initgammacat (long categs, double alpha, double theta1, double *rate, double *probcat) { /* calculate rates and probabilities to approximate Gamma distribution of rates with "categs" categories and shape parameter "alpha" using rates and weights from Generalized Laguerre quadrature */ if(alpha>=100.) { inithermitcat(categs, alpha, theta1, rate, probcat); } else { initlaguerrecat(categs, alpha, theta1, rate, probcat); } } void initlaguerrecat(long categs, double alpha, double theta1, double *rate, double *probcat) { long i; double **lgroot; /* roots of GLaguerre polynomials */ double f, x, xi, y; lgroot = (double **) calloc(categs+1,sizeof(double*)); lgroot[0] = (double *) calloc((categs+1)*(categs+1),sizeof(double)); for(i=1;isign; if(temp[i] > *rmax) *rmax = temp[i]; } for(i=0;i #include #include #include #include #include "draw.h" #include "interface.h" #define MAX(a,b) (a) > (b) ? (a) : (b) #define TEXT 0 #define GFX 1 extern winactiontype winaction; extern long winheight; extern long winwidth; Rect rect = { 0, 0, 16000, 16000 }; /* a nice big rect very convenient */ /* These are all external variables from other files that this program needs to access in order to draw and resize */ #define boolean char extern long strpbottom,strptop,strpwide,strpdeep,strpdiv,hpresolution; extern boolean dotmatrix,empty,preview,previewing,pictbold,pictitalic, pictshadow,pictoutline; extern double expand,xcorner,xnow,xsize,xscale,xunitspercm, ycorner,ynow,ysize,yscale,yunitspercm,labelrotation, labelheight,xmargin,ymargin,pagex,pagey,paperx,papery, hpmargin,vpmargin; extern long filesize; extern growth grows; extern enum {yes,no} penchange,oldpenchange; extern FILE *plotfile; extern plottertype plotter,oldplotter,previewer; extern striptype stripe; extern char resopts; extern double oldx, oldy; extern boolean didloadmetric; extern long nmoves,oldpictint,pagecount; extern double labelline,linewidth,oldxhigh,oldxlow,oldyhigh,oldylow, raylinewidth,treeline,oldxsize,oldysize,oldxunitspercm, oldyunitspercm,oldxcorner,oldycorner,oldxmargin,oldymargin, oldhpmargin,oldvpmargin,clipx0,clipx1,clipy0,clipy1,userxsize,userysize; extern long rootmatrix[51][51]; extern long HiMode,GraphDriver,GraphMode,LoMode,bytewrite; void handlemouse(WindowPtr win,EventRecord ev); /* Global variables used in many functions*/ int mode = TEXT; int quitmac; WindowPtr gfx_window; ControlHandle plot_button; ControlHandle change_button; ControlHandle quit_button; ControlHandle about_button; Rect gfxBounds = { 50, 10, 400, 260 }; /* position and size of gfx_window */ Rect resizeBounds = {100+MAC_OFFSET,340,16000,16000}; /* how much the window can be resized*/ RGBColor background; RGBColor foreground; /* saved parameters needed to make a call to makebox*/ mpreviewparams macpreviewparms; /* initialize general stuff*/ void macsetup (char *tname, char *gname) { Str255 buf1, buf2; Str255 title = ""; Rect plot_rec={10,10,30,110}; Rect change_rec={10,120,60,220}; Rect quit_rec={40,10,60,110}; Rect about_rec={10,230,30,330}; unsigned char* plot=(unsigned char*)"\4Plot"; unsigned char* change=(unsigned char*)"\7Change\rParameters"; unsigned char* quit=(unsigned char*)"\4Quit"; unsigned char* about=(unsigned char*)"\5About"; change[0]=0x11; background.red=0xcc00; /* #ccffff phylip color */ background.green=0xffff; background.blue=0xffff; #undef fontsize SIOUXSettings.fontsize= log(qd.screenBits.bounds.right); SIOUXSettings.autocloseonquit = true; putchar('\n'); /* initialize sioux and let sioux initialize the toolbox and menus*/ strcpy ((char *) buf1 + 1, tname); strcpy ((char *) buf2 + 1, gname); buf1[0] = strlen (tname); buf2[0] = strlen (gname); gfxBounds.bottom=qd.screenBits.bounds.bottom*.7; gfxBounds.right=MAX((gfxBounds.bottom-MAC_OFFSET)*.7,340); winheight=gfxBounds.bottom-gfxBounds.top-MAC_OFFSET; winwidth=gfxBounds.right-gfxBounds.left; gfx_window = NewCWindow (0L, &gfxBounds, buf2, false, documentProc, (WindowPtr) - 1L, true, 0); plot_button = NewControl(gfx_window,&plot_rec,plot,1,0,0,1,pushButProc,0); change_button = NewControl(gfx_window,&change_rec,change,1,0,0,1,pushButProc,0); quit_button = NewControl(gfx_window,&quit_rec,quit,1,0,0,1,pushButProc,0); about_button = NewControl(gfx_window,&about_rec,about,1,0,0,1,pushButProc,0); foreground.red=0x0000; /* black foreground */ foreground.green=0x0000; foreground.blue=0x0000; } /* event loop for the preview window */ void eventloop () { int status=1; quitmac=0; while (status > 0 && quitmac == 0) { status = handleevent (); if (status <= 0 || quitmac) textmode(); } } /* event handler */ int handleevent () { EventRecord ev; WindowPtr win; int SIOUXDidEvent,where, ok; ok = GetNextEvent (everyEvent, &ev); if (!ok) return 1; where = FindWindow (ev.where, &win); if (win != gfx_window || where == inMenuBar) { SIOUXDidEvent = SIOUXHandleOneEvent(&ev); if (SIOUXDidEvent) return 1; } if (win != gfx_window) return 1; if ((ev.what == keyDown) && (ev.modifiers & cmdKey) && (toupper ((char) (ev.message & charCodeMask)) == 'W')) return 0; else if (ev.what == activateEvt) { InvalRect(&rect); } else if (ev.what == updateEvt && win == gfx_window ) paint_gfx_window(); else if (ev.what == mouseDown && where == inContent) handlemouse(win,ev); else if (ev.what == mouseDown && where == inSysWindow) SystemClick (&ev, win); else if (ev.what == mouseDown && where == inDrag) DragWindow (win, ev.where, &rect); else if (ev.what == mouseDown && where == inGrow) resize_gfx_window(ev); else if (ev.what == mouseDown && where == inGoAway) if ( TrackGoAway( win, ev.where ) ) { winaction = changeparms; return 0; } if (ev.what == mouseDown ) { SelectWindow(win); } return 1; } /*Handle mouse down event */ void handlemouse(WindowPtr win,EventRecord ev) { Point mouse; ControlHandle control; int part; mouse=ev.where; GlobalToLocal(&mouse); part=FindControl(mouse,win,&control); if (part != 10) return; TrackControl(control,mouse,NULL); if (control == plot_button) { quitmac=1; winaction=plotnow; } else if (control == quit_button){ quitmac=1; winaction=quitnow; } else if (control == change_button) { winaction = changeparms; quitmac=1; } } /* Draw a string to the graphics window */ void putstring (string) char *string; { unsigned char buf[256]; strncpy ((char *) buf + 1, string, 253); buf[0] = strlen (string); DrawString (buf); } /* go into text mode */ void textmode () { HideWindow (gfx_window); mode = TEXT; } /* go into graphics mode */ void gfxmode () { InitCursor(); SetPort (gfx_window); ShowWindow (gfx_window); SelectWindow (gfx_window); mode = GFX; } /*call this function to paint the graphics window*/ void paint_gfx_window () { BeginUpdate(gfx_window); RGBBackColor(&background); RGBForeColor(&foreground); EraseRect(&rect); PenSize(1,1); makebox(macpreviewparms.fn, macpreviewparms.xo, macpreviewparms.yo, macpreviewparms.scale, macpreviewparms.nt); PenSize(linewidth/5,linewidth/5); plottree(macpreviewparms.root, macpreviewparms.root); plotlabels(macpreviewparms.fn); UpdateControls(gfx_window,gfx_window->visRgn); EndUpdate(gfx_window); penchange = oldpenchange; xsize = oldxsize; ysize = oldysize; xunitspercm = oldxunitspercm; yunitspercm = oldyunitspercm; xscale = xunitspercm; yscale = yunitspercm; plotter = oldplotter; xcorner = oldxcorner; ycorner = oldycorner; xmargin = oldxmargin; ymargin = oldymargin; hpmargin = oldhpmargin; vpmargin = oldvpmargin; } /* resize the graphics window*/ void resize_gfx_window(EventRecord ev) { long windowsize; windowsize=GrowWindow(gfx_window,ev.where,&resizeBounds); if (windowsize != 0 ) { SizeWindow(gfx_window,LoWord(windowsize),HiWord(windowsize),TRUE); winheight=HiWord(windowsize)-MAC_OFFSET; winwidth=LoWord(windowsize); InvalRect(&rect); } } ./arbsrc_9167/GDE/PHYLIP/interface.h0000644012664100000130000000156611213220011016643 0ustar arb_buildcoders #ifndef _INTERFACE_H_ #define _INTERFACE_H_ /* interface.h: access to interface.c, a 2 window text/graphics environment, with a scrolling text window and c-like I/O functions. This also sets up some defines for the standard c stuff. */ /* function prototypes */ void macsetup(char *,char *); void queryevent(); void eventloop(); void process_window_closure(); int handleevent(); void textmode(); void gfxmode(); pascal void scroll(); int process_char(); void paint_gfx_window(); void resize_gfx_window(EventRecord ev); void menu_select(long what); /*debug void fixmacfile(char *);*/ typedef struct { char* fn; double* xo; double* yo; double* scale; long nt; void* root; } mpreviewparams; extern mpreviewparams macpreviewparms; /* function prototypes */ #ifdef __MWERKS__ #define MAC #endif #endif ./arbsrc_9167/GDE/PHYLIP/io.h0000644012664100000130000000014211213220011015277 0ustar arb_buildcoders#define MAC_OFFSET 60 #include #include #include #define DRAW ./arbsrc_9167/GDE/PHYLIP/kitsch.c0000644012664100000130000006272711213220011016171 0ustar arb_buildcoders #include "phylip.h" #include "dist.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define epsilonk 0.000001 /* a very small but not too small number */ #ifndef OLDC /* function prototypes */ void getoptions(void); void doinit(void); void inputoptions(void); void getinput(void); void input_data(void); void add(node *, node *, node *); void re_move(node **, node **); void scrunchtraverse(node *, node **, double *); void combine(node *, node *); void scrunch(node *); void secondtraverse(node *, node *, node *, node *, long, long, long , double *); void firstraverse(node *, node *, double *); void sumtraverse(node *, double *); void evaluate(node *); void tryadd(node *, node **, node **); void addpreorder(node *, node *, node *); void tryrearr(node *, node **, boolean *); void repreorder(node *, node **, boolean *); void rearrange(node **); void dtraverse(node *); void describe(void); void copynode(node *, node *); void copy_(tree *, tree *); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH]; long nonodes, numtrees, col, datasets, ith, njumble, jumb; /* numtrees is used by usertree option part of maketree */ long inseed; tree curtree, bestree; /* pointers to all nodes in tree */ boolean minev, jumble, usertree, lower, upper, negallowed, replicates, trout, printdata, progress, treeprint, mulsets, firstset; longer seed; double power; long *enterorder; /* Local variables for maketree, propagated globally for C version: */ long examined; double like, bestyet; node *there; boolean *names; Char ch; char *progname; double trweight; /* to make treeread happy */ boolean goteof, haslengths, lengths; /* ditto ... */ void getoptions() { /* interactively set options */ long inseed0, loopcount; Char ch; minev = false; jumble = false; njumble = 1; lower = false; negallowed = false; power = 2.0; replicates = false; upper = false; usertree = false; trout = true; printdata = false; progress = true; treeprint = true; loopcount = 0; for(;;) { cleerhome(); printf("\nFitch-Margoliash method "); printf("with contemporary tips, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" D Method (F-M, Minimum Evolution)? %s\n", (minev ? "Minimum Evolution" : "Fitch-Margoliash")); printf(" U Search for best tree? %s\n", usertree ? "No, use user trees in input file" : "Yes"); printf(" P Power?%9.5f\n",power); printf(" - Negative branch lengths allowed? %s\n", (negallowed ? "Yes" : "No")); printf(" L Lower-triangular data matrix? %s\n", (lower ? "Yes" : "No")); printf(" R Upper-triangular data matrix? %s\n", (upper ? "Yes" : "No")); printf(" S Subreplicates? %s\n", (replicates ? "Yes" : "No")); if (!usertree) { printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("DJUP-LRSM12340",ch) != NULL){ switch (ch) { case 'D': minev = !minev; if (!negallowed) negallowed = true; break; case '-': negallowed = !negallowed; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lower = !lower; break; case 'P': initpower(&power); break; case 'R': upper = !upper; break; case 'S': replicates = !replicates; break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } if (upper && lower) { printf("ERROR: Data matrix cannot be both uppeR and Lower triangular\n"); exxit(-1); } } /* getoptions */ void doinit() { /* initializes variables */ inputnumbers2(&spp, &nonodes, 1); getoptions(); alloctree(&curtree.nodep, nonodes); allocd(nonodes, curtree.nodep); allocw(nonodes, curtree.nodep); if (!usertree && njumble > 1) { alloctree(&bestree.nodep, nonodes); allocd(nonodes, bestree.nodep); allocw(nonodes, bestree.nodep); } nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); } /* doinit */ void inputoptions() { /* print options information */ if (!firstset) samenumsp2(ith); fprintf(outfile, "\nFitch-Margoliash method "); fprintf(outfile, "with contemporary tips, version %s\n\n",VERSION); if (minev) fprintf(outfile, "Minimum evolution method option\n\n"); fprintf(outfile, " __ __ 2\n"); fprintf(outfile, " \\ \\ (Obs - Exp)\n"); fprintf(outfile, "Sum of squares = /_ /_ ------------\n"); fprintf(outfile, " "); if (power == (long)power) fprintf(outfile, "%2ld\n", (long)power); else fprintf(outfile, "%4.1f\n", power); fprintf(outfile, " i j Obs\n\n"); fprintf(outfile, "negative branch lengths"); if (!negallowed) fprintf(outfile, " not"); fprintf(outfile, " allowed\n\n"); } /* inputoptions */ void getinput() { /* reads the input data */ inputoptions(); } /* getinput */ void input_data() { /* read in distance matrix */ long i, j, k, columns, n; boolean skipit, skipother; double x; columns = replicates ? 4 : 6; if (printdata) { fprintf(outfile, "\nName Distances"); if (replicates) fprintf(outfile, " (replicates)"); fprintf(outfile, "\n---- ---------"); if (replicates) fprintf(outfile, "-------------"); fprintf(outfile, "\n\n"); } setuptree(&curtree, nonodes); if (!usertree && njumble > 1) setuptree(&bestree, nonodes); for (i = 0; i < (spp); i++) { curtree.nodep[i]->d[i] = 0.0; curtree.nodep[i]->w[i] = 0.0; curtree.nodep[i]->weight = 0.0; scan_eoln(infile); initname(i); for (j = 1; j <= (spp); j++) { skipit = ((lower && j >= i + 1) || (upper && j <= i + 1)); skipother = ((lower && i + 1 >= j) || (upper && i + 1 <= j)); if (!skipit) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%lf", &x); curtree.nodep[i]->d[j - 1] = x; if (replicates) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld", &n); } else n = 1; if (n > 0 && x < 0) { printf("NEGATIVE DISTANCE BETWEEN SPECIES%5ld AND %5ld\n", i + 1, j); exxit(-1); } curtree.nodep[i]->w[j - 1] = n; if (skipother) { curtree.nodep[j - 1]->d[i] = curtree.nodep[i]->d[j - 1]; curtree.nodep[j - 1]->w[i] = curtree.nodep[i]->w[j - 1]; } } } } scan_eoln(infile); if (printdata) { for (i = 0; i < (spp); i++) { for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); putc(' ', outfile); for (j = 1; j <= (spp); j++) { fprintf(outfile, "%10.5f", curtree.nodep[i]->d[j - 1]); if (replicates) fprintf(outfile, " (%3ld)", (long)curtree.nodep[i]->w[j - 1]); if (j % columns == 0 && j < spp) { putc('\n', outfile); for (k = 1; k <= nmlngth + 1; k++) putc(' ', outfile); } } putc('\n', outfile); } putc('\n', outfile); } for (i = 0; i < (spp); i++) { for (j = 0; j < (spp); j++) { if (i + 1 != j + 1) { if (curtree.nodep[i]->d[j] < epsilonk) curtree.nodep[i]->d[j] = epsilonk; curtree.nodep[i]->w[j] /= exp(power * log(curtree.nodep[i]->d[j])); } } } } /* inputdata */ void add(node *below, node *newtip, node *newfork) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant */ if (below != curtree.nodep[below->index - 1]) below = curtree.nodep[below->index - 1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (curtree.root == below) curtree.root = newfork; curtree.root->back = NULL; } /* add */ void re_move(node **item, node **fork) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork */ node *p, *q; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = curtree.nodep[(*item)->back->index - 1]; if (curtree.root == *fork) { if (*item == (*fork)->next->back) curtree.root = (*fork)->next->next->back; else curtree.root = (*fork)->next->back; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; } /* remove */ void scrunchtraverse(node *u, node **closest, double *tmax) { /* traverse to find closest node to the current one */ if (!u->sametime) { if (u->t > *tmax) { *closest = u; *tmax = u->t; } return; } u->t = curtree.nodep[u->back->index - 1]->t; if (!u->tip) { scrunchtraverse(u->next->back, closest,tmax); scrunchtraverse(u->next->next->back, closest,tmax); } } /* scrunchtraverse */ void combine(node *a, node *b) { /* put node b into the set having the same time as a */ if (a->weight + b->weight <= 0.0) a->t = 0.0; else a->t = (a->t * a->weight + b->t * b->weight) / (a->weight + b->weight); a->weight += b->weight; b->sametime = true; } /* combine */ void scrunch(node *s) { /* see if nodes can be combined to prevent negative lengths */ double tmax; node *closest; boolean found; closest = NULL; tmax = -1.0; do { if (!s->tip) { scrunchtraverse(s->next->back, &closest,&tmax); scrunchtraverse(s->next->next->back, &closest,&tmax); } found = (tmax > s->t); if (found) combine(s, closest); tmax = -1.0; } while (found); } /* scrunch */ void secondtraverse(node *a, node *q, node *u, node *v, long i, long j, long k, double *sum) { /* recalculate distances, add to sum */ long l; double wil, wjl, wkl, wli, wlj, wlk, TEMP; if (!(a->processed || a->tip)) { secondtraverse(a->next->back, q,u,v,i,j,k,sum); secondtraverse(a->next->next->back, q,u,v,i,j,k,sum); return; } if (!(a != q && a->processed)) return; l = a->index; wil = u->w[l - 1]; wjl = v->w[l - 1]; wkl = wil + wjl; wli = a->w[i - 1]; wlj = a->w[j - 1]; wlk = wli + wlj; q->w[l - 1] = wkl; a->w[k - 1] = wlk; if (wkl <= 0.0) q->d[l - 1] = 0.0; else q->d[l - 1] = (wil * u->d[l - 1] + wjl * v->d[l - 1]) / wkl; if (wlk <= 0.0) a->d[k - 1] = 0.0; else a->d[k - 1] = (wli * a->d[i - 1] + wlj * a->d[j - 1]) / wlk; if (minev) return; if (wkl > 0.0) { TEMP = u->d[l - 1] - v->d[l - 1]; (*sum) += wil * wjl / wkl * (TEMP * TEMP); } if (wlk > 0.0) { TEMP = a->d[i - 1] - a->d[j - 1]; (*sum) += wli * wlj / wlk * (TEMP * TEMP); } } /* secondtraverse */ void firstraverse(node *q_, node *r, double *sum) { /* firsttraverse */ /* go through tree calculating branch lengths */ node *q; long i, j, k; node *u, *v; q = q_; if (q == NULL) return; q->sametime = false; if (!q->tip) { firstraverse(q->next->back, r,sum); firstraverse(q->next->next->back, r,sum); } q->processed = true; if (q->tip) return; u = q->next->back; v = q->next->next->back; i = u->index; j = v->index; k = q->index; if (u->w[j - 1] + v->w[i - 1] <= 0.0) q->t = 0.0; else q->t = (u->w[j - 1] * u->d[j - 1] + v->w[i - 1] * v->d[i - 1]) / (2.0 * (u->w[j - 1] + v->w[i - 1])); q->weight = u->weight + v->weight + u->w[j - 1] + v->w[i - 1]; if (!negallowed) scrunch(q); u->v = q->t - u->t; v->v = q->t - v->t; u->back->v = u->v; v->back->v = v->v; secondtraverse(r,q,u,v,i,j,k,sum); } /* firstraverse */ void sumtraverse(node *q, double *sum) { /* traverse to finish computation of sum of squares */ long i, j; node *u, *v; double TEMP, TEMP1; if (minev && (q != curtree.root)) *sum += q->v; if (q->tip) return; sumtraverse(q->next->back, sum); sumtraverse(q->next->next->back, sum); if (!minev) { u = q->next->back; v = q->next->next->back; i = u->index; j = v->index; TEMP = u->d[j - 1] - 2.0 * q->t; TEMP1 = v->d[i - 1] - 2.0 * q->t; (*sum) += u->w[j - 1] * (TEMP * TEMP) + v->w[i - 1] * (TEMP1 * TEMP1); } } /* sumtraverse */ void evaluate(node *r) { /* fill in times and evaluate sum of squares for tree */ double sum; long i; sum = 0.0; for (i = 0; i < (nonodes); i++) curtree.nodep[i]->processed = curtree.nodep[i]->tip; firstraverse(r, r,&sum); sumtraverse(r, &sum); examined++; if (replicates && (lower || upper)) sum /= 2; like = -sum; } /* evaluate */ void tryadd(node *p, node **item, node **nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ add(p, *item, *nufork); evaluate(curtree.root); if (like > bestyet) { bestyet = like; there = p; } re_move(item, nufork); } /* tryadd */ void addpreorder(node *p, node *item, node *nufork) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ if (p == NULL) return; tryadd(p, &item,&nufork); if (!p->tip) { addpreorder(p->next->back, item, nufork); addpreorder(p->next->next->back, item, nufork); } } /* addpreorder */ void tryrearr(node *p, node **r, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success := TRUE and keeps the new tree. otherwise, restores the old tree */ node *frombelow, *whereto, *forknode; double oldlike; if (p->back == NULL) return; forknode = curtree.nodep[p->back->index - 1]; if (forknode->back == NULL) return; oldlike = like; if (p->back->next->next == forknode) frombelow = forknode->next->next->back; else frombelow = forknode->next->back; whereto = forknode->back; re_move(&p, &forknode); add(whereto, p, forknode); if ((*r)->back != NULL) *r = curtree.nodep[(*r)->back->index - 1]; evaluate(*r); if (like > oldlike) { bestyet = like; *success = true; return; } re_move(&p, &forknode); add(frombelow, p, forknode); if ((*r)->back != NULL) *r = curtree.nodep[(*r)->back->index - 1]; like = oldlike; } /* tryrearr */ void repreorder(node *p, node **r, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p,r,success); if (!p->tip) { repreorder(p->next->back,r,success); repreorder(p->next->next->back,r,success); } } /* repreorder */ void rearrange(node **r_) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ node **r; boolean success; r = r_; success = true; while (success) { success = false; repreorder(*r,r,&success); } } /* rearrange */ void dtraverse(node *q) { /* print table of lengths etc. */ long i; if (!q->tip) dtraverse(q->next->back); if (q->back != NULL) { fprintf(outfile, "%4ld ", q->back->index - spp); if (q->index <= spp) { for (i = 0; i < nmlngth; i++) putc(nayme[q->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", q->index - spp); fprintf(outfile, "%13.5f", curtree.nodep[q->back->index - 1]->t - q->t); fprintf(outfile, "%16.5f\n", curtree.root->t - q->t); } if (!q->tip) dtraverse(q->next->next->back); } /* dtraverse */ void describe() { /* prints table of lengths, times, sum of squares, etc. */ long i, j; double totalnum; double TEMP; if (!minev) fprintf(outfile, "\nSum of squares = %10.3f\n\n", -like); else fprintf(outfile, "Sum of branch lengths = %10.3f\n\n", -like); if ((fabs(power - 2) < 0.01) && !minev) { totalnum = 0.0; for (i = 0; i < (spp); i++) { for (j = 0; j < (spp); j++) { if (i + 1 != j + 1 && curtree.nodep[i]->d[j] > 0.0) { TEMP = curtree.nodep[i]->d[j]; totalnum += curtree.nodep[i]->w[j] * (TEMP * TEMP); } } } totalnum -= 2; if (replicates && (lower || upper)) totalnum /= 2; fprintf(outfile, "Average percent standard deviation ="); fprintf(outfile, "%10.5f\n\n", 100 * sqrt(-(like / totalnum))); } fprintf(outfile, "From To Length Height\n"); fprintf(outfile, "---- -- ------ ------\n\n"); dtraverse(curtree.root); putc('\n', outfile); if (trout) { col = 0; treeoutr(curtree.root,&col,&curtree); /* treeout(curtree.root); */ } } /* describe */ void copynode(node *c, node *d) { /* make a copy of a node */ memcpy(d->d, c->d, nonodes*sizeof(double)); memcpy(d->w, c->w, nonodes*sizeof(double)); d->t = c->t; d->sametime = c->sametime; d->weight = c->weight; d->processed = c->processed; d->xcoord = c->xcoord; d->ycoord = c->ycoord; d->ymin = c->ymin; d->ymax = c->ymax; } /* copynode */ void copy_(tree *a, tree *b) { /* make a copy of a tree */ long i, j=0; node *p, *q; for (i = 0; i < spp; i++) { copynode(a->nodep[i], b->nodep[i]); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes; i++) { p = a->nodep[i]; q = b->nodep[i]; for (j = 1; j <= 3; j++) { copynode(p, q); if (p->back) { if (p->back == a->nodep[p->back->index - 1]) q->back = b->nodep[p->back->index - 1]; else if (p->back == a->nodep[p->back->index - 1]->next) q->back = b->nodep[p->back->index - 1]->next; else q->back = b->nodep[p->back->index - 1]->next->next; } else q->back = NULL; p = p->next; q = q->next; } } b->root = a->root; } /* copy */ void maketree() { /* constructs a binary tree from the pointers in curtree.nodep. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, which; double bestlike, bstlike2=0, gotlike; boolean lastrearr; node *item, *nufork; if (!usertree) { if (jumb == 1) { input_data(); examined = 0; } for (i = 1; i <= (spp); i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); curtree.root = curtree.nodep[enterorder[0] - 1]; add(curtree.nodep[enterorder[0] - 1], curtree.nodep[enterorder[1] - 1], curtree.nodep[spp]); if (progress) { printf("Adding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = false; for (i = 3; i <= (spp); i++) { bestyet = -10000000.0; item = curtree.nodep[enterorder[i - 1] - 1]; nufork = curtree.nodep[spp + i - 2]; addpreorder(curtree.root, item, nufork); add(there, item, nufork); like = bestyet; rearrange(&curtree.root); evaluate(curtree.root); examined--; if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = (i == spp); if (lastrearr) { if (progress) { printf("\nDoing global rearrangements\n"); printf(" !"); for (j = 1; j <= (nonodes); j++) putchar('-'); printf("!\n"); #ifdef WIN32 phyFillScreenColor(); #endif } bestlike = bestyet; do { gotlike = bestlike; if (progress) printf(" "); for (j = 0; j < (nonodes); j++) { there = curtree.root; bestyet = -32000.0; item = curtree.nodep[j]; if (item != curtree.root) { re_move(&item, &nufork); there = curtree.root; addpreorder(curtree.root, item, nufork); add(there, item, nufork); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) { putchar('\n'); #ifdef WIN32 phyFillScreenColor(); #endif } } while (bestlike > gotlike); if (njumble > 1) { if (jumb == 1 || (jumb > 1 && bestlike > bstlike2)) { copy_(&curtree, &bestree); bstlike2 = bestlike; } } } } if (njumble == jumb) { if (njumble > 1) copy_(&bestree, &curtree); evaluate(curtree.root); printree(curtree.root, treeprint, false, true); describe(); } } else { input_data(); openfile(&intree,INTREE,"input tree file","r",progname,intreename); numtrees = countsemic(&intree); if (treeprint) fprintf(outfile, "\n\nUser-defined trees:\n\n"); names = (boolean *)Malloc(spp*sizeof(boolean)); which = 1; while (which <= numtrees ) { treeread2 (intree, &curtree.root, curtree.nodep, lengths, &trweight, &goteof, &haslengths, &spp); evaluate(curtree.root); printree(curtree.root, treeprint, false, true); describe(); which++; } FClose(intree); free(names); } if (jumb == njumble && progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Tree also written onto file \"%s\"\n", outtreename); putchar('\n'); } } /* maketree */ int main(int argc, Char *argv[]) { /* Fitch-Margoliash criterion with contemporary tips */ #ifdef MAC argc = 1; /* macsetup("Kitsch",""); */ argv[0] = "Kitsch"; #endif init(argc,argv); /* reads in spp, options, and the data, then calls maketree to construct the tree */ progname = argv[0]; openfile(&infile,INFILE,"input file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; firstset = true; datasets = 1; doinit(); openfile(&outtree,OUTTREE,"output tree file","w",argv[0],outtreename); for (ith = 1; ith <= datasets; ith++) { if (datasets > 1) { fprintf(outfile, "\nData set # %ld:\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } getinput(); for (jumb = 1; jumb <= njumble; jumb++) maketree(); firstset = false; if (eoln(infile) && (ith < datasets)) scan_eoln(infile); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif printf("Done.\n\n"); return 0; } /* Fitch-Margoliash criterion with contemporary tips */ ./arbsrc_9167/GDE/PHYLIP/macface.c0000644012664100000130000000404411213220011016247 0ustar arb_buildcoders #include "macface.h" /* version 3.6 Copyright 1997-2002 by the University of Washington. * mac interfacing * this is only included and used for macs/powermacs * and needs to be used in conjunction with the customized LAMARC-library * which is a modification of the Metrowerks custom library. * fixmacfile() was written by Sean Lamont 1994. * * Peter Beerli 1997 * beerli@genetics.washington.edu */ #include #include "SIOUXGlobals.h" #include "SIOUXMenus.h" #include "SIOUXWindows.h" #include #include #include #include #include #include /*//bkoz*/ #include #include #include #include /*//defined in unix.c ...*/ #ifdef __cplusplus extern "C" { #endif int __system7present(void); long __myraise(long signal); #ifdef __cplusplus } #endif #include #include "SIOUXGlobals.h" #include "SIOUXMenus.h" #include "SIOUXWindows.h" #include #include #include #include #include #include /*//bkoz*/ #include #include #include #include /*// defined in unix.c ...*/ #ifdef __cplusplus extern "C" { #endif int __system7present(void); long __myraise(long signal); #ifdef __cplusplus } #endif #include #include "phylip.h" void fixmacfile(char *filename) { FInfo fndrinfo; char filename1[FNMLNGTH]; char filename2[FNMLNGTH]; strcpy(filename1,filename); strcpy(filename2,filename); getfinfo(filename1,0,&fndrinfo); fndrinfo.fdType='TEXT'; fndrinfo.fdCreator='MSWD'; setfinfo(filename2,0,&fndrinfo); } /* new fixmacfile from interface.c is more versatile and may be desireable here LM 7/27*/ /* void fixmacfile(char *filename, long type, long creator) { FInfo fndrinfo; char filename1[FNMLNGTH]; char filename2[FNMLNGTH]; strcpy(filename1,filename); strcpy(filename2,filename); getfinfo(filename1,0,&fndrinfo); fndrinfo.fdType=type; fndrinfo.fdCreator=creator; setfinfo(filename2,0,&fndrinfo); } */ ./arbsrc_9167/GDE/PHYLIP/macface.h0000644012664100000130000000122211213220011016247 0ustar arb_buildcoders #ifndef LAMARC_MAC_INTERFACE #define LAMARC_MAC_INTERFACE /* version 3.6. (c) Copyright 1997-2000 by the University of Washington. * mac interfacing * this is only inlcuded and used for macs/powermacs * and needs to be used in conjunction with the customized LAMARC-library * which is a modification of the Metrowerks custom library v10. * This file defines a function to fix the outputfiles which was written by * Sean Lamont 1994. * * Peter Beerli 1997 * beerli@genetics.washington.edu */ #endif /*LAMARC_MAC_INTERFACE*/ #ifndef OLDC /* function prototypes */ void fixmacfile(char *); void eventloop(void); /* function prototypes */ #endif ./arbsrc_9167/GDE/PHYLIP/Makefile0000644012664100000130000001507311213220011016170 0ustar arb_buildcoders.SUFFIXES: .o .c .depend LIBS = -lm -lc PROGS_old = clique consense contml contrast dnacomp dnadist \ dnainvar dnaml dnamlk dnamove dnapars dnapenny \ dolmove dollop dolpenny drawgram drawtree factor \ fitch gendist kitsch mix move neighbor penny \ protdist protpars restml retree seqboot PROGS = clique consense contml contrast dnacomp dnadist \ dnainvar dnaml dnamlk dnamove dnapars dnapenny \ dolmove dollop dolpenny factor fitch gendist kitsch \ mix move neighbor pars penny proml promlk protdist \ protpars restdist restml retree seqboot treedist \ drawgram drawtree BIN=$(ARBHOME)/bin BINARIES=$(addprefix $(BIN)/,$(PROGS)) DLIBS=$(LIBS) $(XLIBS) -lXaw all: $(BINARIES) $(BIN)/clique: clique.o disc.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/consense: consense.o phylip.o cons.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/contml: contml.o cont.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/contrast: contrast.o cont.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnacomp: dnacomp.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnadist: dnadist.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnainvar: dnainvar.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnaml: dnaml.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnamlk: dnamlk.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnamove: dnamove.o seq.o moves.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnapenny: dnapenny.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dnapars: dnapars.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dolmove: dolmove.o disc.o moves.o dollo.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dollop: dollop.o disc.o dollo.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/dolpenny: dolpenny.o disc.o dollo.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/drawgram: drawgram.o draw.o draw2.o phylip.o $(ACC) $(cflags) -o $@ $^ $(DLIBS) $(BIN)/drawtree: drawtree.o draw.o draw2.o phylip.o $(ACC) $(cflags) -o $@ $^ $(DLIBS) $(BIN)/factor: factor.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/fitch: fitch.o dist.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/gendist: gendist.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/kitsch: kitsch.o dist.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/mix: mix.o disc.o wagner.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/move: move.o disc.o moves.o wagner.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/neighbor: neighbor.o dist.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/pars: pars.o discrete.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/penny: penny.o disc.o wagner.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/proml: proml.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/promlk: promlk.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/protdist: protdist.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/protpars: protpars.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/restdist: restdist.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/restml: restml.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/retree: retree.o moves.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/seqboot: seqboot.o seq.o phylip.o $(ACC) $(cflags) -o $@ $^ $(LIBS) $(BIN)/treedist: treedist.o phylip.o cons.o $(ACC) $(cflags) -o $@ $^ $(LIBS) #$(BIN)/clique: clique.o disc.o phylip.o # $(ACC) $(cflags) -o $@ $^ $(LIBS) #$(BIN)/dnaml: dnaml.o seq.o phylip.o # $(ACC) $(cflags) -o $@ $^ $(LIBS) #../../bin/dnaml: dnaml.o dnaml2.o # $(ACC) $(cflags) -o $@ dnaml.o dnaml2.o $(LIBS) #../../bin/dnamlk: dnamlk.o dnamlk2.o # $(ACC) $(cflags) -o $@ dnamlk.o dnamlk2.o $(LIBS) #../../bin/drawgram: drawgram.o drawgraphics.o # $(ACC) $(cflags) -o $@ drawgram.o drawgraphics.o $(LIBS) #../../bin/drawtree: drawtree.o drawgraphics.o # $(ACC) $(cflags) -o $@ drawtree.o drawgraphics.o $(LIBS) #../../bin/mix: mix.o mix2.o # $(ACC) $(cflags) -o $@ mix.o mix2.o $(LIBS) #../../bin/restml: restml.o restml2.o # $(ACC) $(cflags) -o $@ restml.o restml2.o $(LIBS) #../../bin/protml: protml.o p2clib.o # $(ACC) $(cflags) -o $@ protml.o p2clib.o $(LIBS) #$(BIN)/%: %.c # $(ACC) $(cflags) -o $@ $^ $(LIBS) .c.o : $(ACC) -c $(cflags) $< DEPENDS = $(notdir $(PROGS:%=%.depend)) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ clean: rm -f $(BINARIES) *.o # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl clique.o: disc.h clique.o: phylip.h consense.o: cons.h consense.o: phylip.h contml.o: cont.h contml.o: phylip.h contrast.o: cont.h contrast.o: phylip.h dnacomp.o: phylip.h dnacomp.o: seq.h dnadist.o: phylip.h dnadist.o: seq.h dnainvar.o: phylip.h dnainvar.o: seq.h dnaml.o: phylip.h dnaml.o: seq.h dnamlk.o: phylip.h dnamlk.o: seq.h dnamove.o: moves.h dnamove.o: phylip.h dnamove.o: seq.h dnapars.o: phylip.h dnapars.o: seq.h dnapenny.o: phylip.h dnapenny.o: seq.h dollop.o: disc.h dollop.o: dollo.h dollop.o: phylip.h dolmove.o: disc.h dolmove.o: dollo.h dolmove.o: moves.h dolmove.o: phylip.h dolpenny.o: disc.h dolpenny.o: dollo.h dolpenny.o: phylip.h drawgram.o: draw.h drawgram.o: phylip.h drawtree.o: draw.h drawtree.o: phylip.h factor.o: phylip.h fitch.o: dist.h fitch.o: phylip.h gendist.o: phylip.h kitsch.o: dist.h kitsch.o: phylip.h mix.o: disc.h mix.o: phylip.h mix.o: wagner.h move.o: disc.h move.o: moves.h move.o: phylip.h move.o: wagner.h neighbor.o: dist.h neighbor.o: phylip.h pars.o: discrete.h pars.o: phylip.h penny.o: disc.h penny.o: phylip.h penny.o: wagner.h proml.o: phylip.h proml.o: seq.h promlk.o: phylip.h promlk.o: seq.h protdist.o: phylip.h protdist.o: seq.h protpars.o: phylip.h protpars.o: seq.h restdist.o: phylip.h restdist.o: seq.h restml.o: phylip.h restml.o: seq.h retree.o: moves.h retree.o: phylip.h seqboot.o: phylip.h seqboot.o: seq.h treedist.o: cons.h treedist.o: phylip.h ./arbsrc_9167/GDE/PHYLIP/mix.c0000644012664100000130000007242511213220011015475 0ustar arb_buildcoders #include "phylip.h" #include "disc.h" #include "wagner.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of tied trees stored */ typedef long *placeptr; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void doinput(void); void evaluate(node2 *); void reroot(node2 *); void savetraverse(node2 *); void savetree(void); void mix_addtree(long *pos); void mix_findtree(boolean *, long *, long, long *, long **); void tryadd(node2 *, node2 **, node2 **); void addpreorder(node2 *, node2 *, node2 *); void tryrearr(node2 *, node2 **, boolean *); void repreorder(node2 *, node2 **, boolean *); void rearrange(node2 **r); void mix_addelement(node2 **, long *, long *, boolean *); void mix_treeread(void); void describe(void); void maketree(void); void reallocchars(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH], ancfilename[FNMLNGTH], mixfilename[FNMLNGTH]; node2 *root; long outgrno, msets, ith, njumble, jumb; /* outgrno indicates outgroup */ long inseed, inseed0; boolean jumble, usertree, weights, thresh, ancvar, questions, allsokal, allwagner, mixture, trout, noroot, outgropt, didreroot, progress, treeprint, stepbox, ancseq, mulsets, firstset, justwts; boolean *ancone, *anczero, *ancone0, *anczero0; pointptr2 treenode; /* pointers to all nodes in tree */ double threshold; double *threshwt; bitptr wagner, wagner0; longer seed; long *enterorder; double **fsteps; char *guess; long **bestrees; steptr numsteps, numsone, numszero; gbit *garbage; char ch; char *progname; /* Local variables for maketree: */ long minwhich; double like, bestyet, bestlike, bstlike2, minsteps; boolean lastrearr,full; double nsteps[maxuser]; node2 *there; long fullset; bitptr steps, zeroanc, oneanc, fulzeroanc, empzeroanc; long *place, col; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nMixed parsimony algorithm, version %s\n\n",VERSION); putchar('\n'); jumble = false; njumble = 1; outgrno = 1; outgropt = false; thresh = false; threshold = spp; trout = true; usertree = false; weights = false; justwts = false; ancvar = false; allsokal = false; allwagner = true; mixture = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; loopcount = 0; for (;;) { cleerhome(); printf("\nMixed parsimony algorithm, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); printf(" X Use Mixed method? %s\n", (mixture ? "Yes" : "No")); printf(" P Parsimony method?"); if (!mixture) { printf(" %s\n",(allwagner ? "Wagner" : "Camin-Sokal")); } else printf(" (methods in mixture)\n"); if (!usertree) { printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at species number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per char.\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" A Use ancestral states in input file? %s\n", (ancvar ? "Yes" : "No")); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Print out steps in each character %s\n", (stepbox ? "Yes" : "No")); printf(" 5 Print states at all nodes of tree %s\n", (ancseq ? "Yes" : "No")); printf(" 6 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\nAre these settings correct? "); printf("(type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("WJOTUMPAX1234560",ch) != NULL){ switch (ch) { case 'W': weights = !weights; break; case 'U': usertree = !usertree; break; case 'X': mixture = !mixture; break; case 'P': allwagner = !allwagner; break; case 'A': ancvar = !ancvar; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } allsokal = (!allwagner && !mixture); } /* getoptions */ void reallocchars() { long i; if (usertree) { for (i = 0; i < maxuser; i++) { free (fsteps[i]); fsteps[i] = (double *)Malloc(chars*sizeof(double)); } } free(extras); free(weight); free(threshwt); free(numsteps); free(numszero); free(numsone); free(guess); free(ancone); free(anczero); free(ancone0); free(anczero0); extras = (steptr)Malloc(chars*sizeof(long)); weight = (steptr)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); numsteps = (steptr)Malloc(chars*sizeof(long)); numszero = (steptr)Malloc(chars*sizeof(long)); numsone = (steptr)Malloc(chars*sizeof(long)); guess = (Char *)Malloc(chars*sizeof(Char)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); } void allocrest() { long i; if (usertree) { fsteps = (double **)Malloc(maxuser*sizeof(double *)); for (i = 0; i < maxuser; i++) fsteps[i] = (double *)Malloc(chars*sizeof(double)); } bestrees = (long **)Malloc(maxtrees*sizeof(long *)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1] = (long *)Malloc(spp*sizeof(long)); extras = (steptr)Malloc(chars*sizeof(long)); weight = (steptr)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); numsteps = (steptr)Malloc(chars*sizeof(long)); numszero = (steptr)Malloc(chars*sizeof(long)); numsone = (steptr)Malloc(chars*sizeof(long)); guess = (Char *)Malloc(chars*sizeof(Char)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); wagner = (bitptr)Malloc(words*sizeof(long)); wagner0 = (bitptr)Malloc(words*sizeof(long)); place = (long *)Malloc(nonodes*sizeof(long)); steps = (bitptr)Malloc(words*sizeof(long)); zeroanc = (bitptr)Malloc(words*sizeof(long)); oneanc = (bitptr)Malloc(words*sizeof(long)); fulzeroanc = (bitptr)Malloc(words*sizeof(long)); empzeroanc = (bitptr)Malloc(words*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); words = chars / bits + 1; getoptions(); if (printdata) fprintf(outfile, "%ld species, %ld characters\n\n", spp, chars); alloctree2(&treenode); setuptree2(treenode); allocrest(); } /* doinit */ void inputoptions() { /* input the information on the options */ long i; if(justwts){ if(firstset){ scan_eoln(infile); if (ancvar) inputancestorsnew(anczero0, ancone0); if (mixture) inputmixturenew(wagner0); } for (i = 0; i < (chars); i++) weight[i] = 1; inputweights(chars, weight, &weights); for (i = 0; i < (words); i++) { if (mixture) wagner[i] = wagner0[i]; else if (allsokal) wagner[i] = 0; else wagner[i] = (1L << (bits + 1)) - (1L << 1); } } else { if (!firstset) { samenumsp(&chars, ith); reallocchars(); } scan_eoln(infile); for (i = 0; i < (chars); i++) weight[i] = 1; if (ancvar) inputancestorsnew(anczero0, ancone0); if (mixture) inputmixturenew(wagner0); if (weights) inputweights(chars, weight, &weights); for (i = 0; i < (words); i++) { if (mixture) wagner[i] = wagner0[i]; else if (allsokal) wagner[i] = 0; else wagner[i] = (1L << (bits + 1)) - (1L << 1); } } for (i = 0; i < (chars); i++) { if (!ancvar) { anczero[i] = true; ancone[i] = (((1L << (i % bits + 1)) & wagner[i / bits]) != 0); } else { anczero[i] = anczero0[i]; ancone[i] = ancone0[i]; } } noroot = true; questions = false; for (i = 0; i < (chars); i++) { if (weight[i] > 0) { noroot = (noroot && ancone[i] && anczero[i] && ((((1L << (i % bits + 1)) & wagner[i / bits]) != 0) || threshold <= 2.0)); } questions = (questions || (ancone[i] && anczero[i])); threshwt[i] = threshold * weight[i]; } } /* inputoptions */ void doinput() { /* reads the input data */ inputoptions(); if(!justwts || firstset) inputdata2(treenode); } /* doinput */ void evaluate(node2 *r) { /* Determines the number of steps needed for a tree. This is the minimum number needed to evolve chars on this tree */ long i, stepnum, smaller; double sum, term; sum = 0.0; for (i = 0; i < (chars); i++) { numszero[i] = 0; numsone[i] = 0; } full = true; for (i = 0; i < (words); i++) zeroanc[i] = fullset; postorder(r, fullset, full, wagner, zeroanc); cpostorder(r, full, zeroanc, numszero, numsone); count(r->fulstte1, zeroanc, numszero, numsone); for (i = 0; i < (words); i++) zeroanc[i] = 0; full = false; postorder(r, fullset, full, wagner, zeroanc); cpostorder(r, full, zeroanc, numszero, numsone); count(r->empstte0, zeroanc, numszero, numsone); for (i = 0; i < (chars); i++) { smaller = spp * weight[i]; numsteps[i] = smaller; if (anczero[i]) { numsteps[i] = numszero[i]; smaller = numszero[i]; } if (ancone[i] && numsone[i] < smaller) numsteps[i] = numsone[i]; stepnum = numsteps[i] + extras[i]; if (stepnum <= threshwt[i]) term = stepnum; else term = threshwt[i]; sum += term; if (usertree && which <= maxuser) fsteps[which - 1][i] = term; guess[i] = '?'; if (!ancone[i] || (anczero[i] && numszero[i] < numsone[i])) guess[i] = '0'; else if (!anczero[i] || (ancone[i] && numsone[i] < numszero[i])) guess[i] = '1'; } if (usertree && which <= maxuser) { nsteps[which - 1] = sum; if (which == 1) { minwhich = 1; minsteps = sum; } else if (sum < minsteps) { minwhich = which; minsteps = sum; } } like = -sum; } /* evaluate */ void reroot(node2 *outgroup) { /* reorients tree, putting outgroup in desired position. */ node2 *p, *q; if (outgroup->back->index == root->index) return; p = root->next; q = root->next->next; p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; outgroup->back->back = q; outgroup->back = p; } /* reroot */ void savetraverse(node2 *p) { /* sets BOOLEANs that indicate which way is down */ p->bottom = true; if (p->tip) return; p->next->bottom = false; savetraverse(p->next->back); p->next->next->bottom = false; savetraverse(p->next->next->back); } /* savetraverse */ void savetree() { /* record in place where each species has to be added to reconstruct this tree */ long i, j; node2 *p; boolean done; if (noroot) reroot(treenode[outgrno - 1]); savetraverse(root); for (i = 0; i < (nonodes); i++) place[i] = 0; place[root->index - 1] = 1; for (i = 1; i <= (spp); i++) { p = treenode[i - 1]; while (place[p->index - 1] == 0) { place[p->index - 1] = i; while (!p->bottom) p = p->next; p = p->back; } if (i > 1) { place[i - 1] = place[p->index - 1]; j = place[p->index - 1]; done = false; while (!done) { place[p->index - 1] = spp + i - 1; while (!p->bottom) p = p->next; p = p->back; done = (p == NULL); if (!done) done = (place[p->index - 1] != j); } } } } /* savetree */ void mix_addtree(long *pos) { /* puts tree from ARRAY place in its proper position in ARRAY bestrees */ long i; for (i =nextree - 1; i >= (*pos); i--) memcpy(bestrees[i], bestrees[i - 1], spp*sizeof(long)); for (i = 0; i < (spp); i++) bestrees[(*pos) - 1][i] = place[i]; nextree++; } /* mix_addtree */ void mix_findtree(boolean *found, long *pos, long nextree, long *place, long **bestrees) { /* finds tree given by ARRAY place in ARRAY bestrees by binary search */ /* used by dnacomp, dnapars, dollop, mix, & protpars */ long i, lower, upper; boolean below, done; below = false; lower = 1; upper = nextree - 1; (*found) = false; while (!(*found) && lower <= upper) { (*pos) = (lower + upper) / 2; i = 3; done = false; while (!done) { done = (i > spp); if (!done) done = (place[i - 1] != bestrees[(*pos) - 1][i - 1]); if (!done) i++; } (*found) = (i > spp); below = (place[i - 1] < bestrees[(*pos )- 1][i - 1]); if (*found) break; if (below) upper = (*pos) - 1; else lower = (*pos) + 1; } if (!(*found) && !below) (*pos)++; } /* mix_findtree */ void tryadd(node2 *p, node2 **item, node2 **nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ long pos; boolean found; node2 *rute; add3(p, *item, *nufork, &root, treenode); evaluate(root); if (lastrearr) { if (like >= bstlike2) { rute = root->next->back; savetree(); reroot(rute); if (like > bstlike2) { bestlike = bstlike2 = like; pos = 1; nextree = 1; mix_addtree(&pos); } else { pos = 0; mix_findtree(&found, &pos, nextree, place, bestrees); if (!found) { if (nextree <= maxtrees) mix_addtree(&pos); } } } } if (like > bestyet) { bestyet = like; there = p; } re_move3(item, nufork, &root, treenode); } /* tryadd */ void addpreorder(node2 *p, node2 *item, node2 *nufork) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ if (p == NULL) return; tryadd(p, &item, &nufork); if (!p->tip) { addpreorder(p->next->back, item, nufork); addpreorder(p->next->next->back, item, nufork); } } /* addpreorder */ void tryrearr(node2 *p, node2 **r, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success := TRUE and keeps the new tree. otherwise, restores the old tree */ node2 *frombelow, *whereto, *forknode; double oldlike; if (p->back == NULL) return; forknode = treenode[p->back->index - 1]; if (forknode->back == NULL) return; oldlike = bestyet; if (p->back->next->next == forknode) frombelow = forknode->next->next->back; else frombelow = forknode->next->back; whereto = treenode[forknode->back->index - 1]; re_move3(&p, &forknode, &root, treenode); add3(whereto, p, forknode, &root, treenode); evaluate(*r); if (like <= oldlike) { re_move3(&p, &forknode, &root, treenode); add3(frombelow, p, forknode, &root, treenode); } else { *success = true; bestyet = like; } } /* tryrearr */ void repreorder(node2 *p, node2 **r, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p, r, success); if (!p->tip) { repreorder(p->next->back, r,success); repreorder(p->next->next->back, r,success); } } /* repreorder */ void rearrange(node2 **r) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ boolean success=true; while (success) { success = false; repreorder(*r,r,&success); } } /* rearrange */ void mix_addelement(node2 **p, long *nextnode, long *lparens, boolean *names) { /* recursive procedure adds nodes to user-defined tree */ node2 *q; long i, n; boolean found; Char str[nmlngth]; getch(&ch, lparens, intree); if (ch == '(' ) { if ((*lparens) >= spp) { printf("\n\nERROR IN USER TREE: Too many left parentheses\n\n"); exxit(-1); } (*nextnode)++; q = treenode[(*nextnode) - 1]; mix_addelement(&q->next->back, nextnode, lparens, names); q->next->back->back = q->next; findch(',', &ch, which); mix_addelement(&q->next->next->back, nextnode, lparens, names); q->next->next->back->back = q->next->next; findch(')', &ch, which); *p = q; return; } for (i = 0; i < nmlngth; i++) str[i] = ' '; n = 1; do { if (ch == '_') ch = ' '; str[n - 1] =ch; if (eoln(intree)) scan_eoln(intree); ch = gettc(intree); if (ch == '\n') ch = ' '; n++; } while (ch != ',' && ch != ')' && ch != ':' && n <= nmlngth); n = 1; do { found = true; for (i = 0; i < nmlngth; i++) found = (found && ((str[i] == nayme[n - 1][i]) || ((nayme[n - 1][i] == '_') && (str[i] == ' ')))); if (found) { if (names[n - 1] == false) { *p = treenode[n - 1]; names[n - 1] = true; } else { printf("\n\nERROR IN USER TREE: Duplicate name found: "); for (i = 0; i < nmlngth; i++) putchar(nayme[n - 1][i]); printf("\n\n"); exxit(-1); } } else n++; } while (!(n > spp || found )); if (n <= spp) return; printf("CANNOT FIND SPECIES: "); for (i = 0; i < nmlngth; i++) putchar(str[i]); putchar('\n'); } /* mix_addelement */ void mix_treeread() { /* read in user-defined tree and set it up */ long nextnode, lparens, i; boolean *names; root = treenode[spp]; nextnode = spp; root->back = NULL; names = (boolean *)Malloc(spp*sizeof(boolean)); for (i = 0; i < (spp); i++) names[i] = false; lparens = 0; mix_addelement(&root, &nextnode, &lparens, names); if (ch == '[') { do ch = gettc(intree); while (ch != ']'); ch = gettc(intree); } findch(';', &ch, which); if (progress) printf("."); scan_eoln(intree); free(names); } /* mix_treeread */ void describe() { /* prints ancestors, steps and table of numbers of steps in each character */ if (treeprint) fprintf(outfile, "\nrequires a total of %10.3f\n", -like); putc('\n', outfile); if (stepbox) writesteps(weights, numsteps); if (questions && (!noroot || didreroot)) guesstates(guess); if (ancseq) { hypstates(fullset, full, noroot, didreroot, root, wagner, zeroanc, oneanc, treenode, guess, garbage); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout2(root, &col, root); } } /* describe */ void maketree() { /* constructs a binary tree from the pointers in treenode. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, numtrees; double gotlike; node2 *item, *nufork, *dummy; fullset = (1L << (bits + 1)) - (1L << 1); for (i=0 ; i gotlike); } } if (progress) putchar('\n'); for (i = spp - 1; i >= 1; i--) re_move3(&treenode[i], &dummy, &root, treenode); if (jumb == njumble) { if (treeprint) { putc('\n', outfile); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n",(long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i <= (nextree - 2); i++) { root = treenode[0]; add3(treenode[0], treenode[1], treenode[spp], &root, treenode); for (j = 3; j <= (spp); j++) add3(treenode[bestrees[i][j - 1] - 1], treenode[j - 1], treenode[spp + j - 2], &root, treenode); if (noroot) reroot(treenode[outgrno - 1]); didreroot = (outgropt && noroot); evaluate(root); printree(treeprint, noroot, didreroot, root); describe(); for (j = 1; j < (spp); j++) re_move3(&treenode[j], &dummy, &root, treenode); } } } else { openfile(&intree,INTREE,"input tree file", "r",progname,intreename); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } which = 1; if (progress) printf(" "); while (which <= numtrees ) { mix_treeread(); didreroot = (outgropt && noroot); if (noroot) reroot(treenode[outgrno - 1]); evaluate(root); printree(treeprint, noroot, didreroot, root); describe(); which++; } if (progress) printf("\n"); FClose(intree); fprintf(outfile, "\n\n"); if (numtrees > 2 && chars > 1 ) { if (progress) printf(" sampling for SH test\n"); standev(numtrees, minwhich, minsteps, nsteps, fsteps, seed); } } if (jumb == njumble) { if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n", outtreename); putchar('\n'); } } if (ancseq) freegarbage(&garbage); } /* maketree */ int main(int argc, Char *argv[]) { /* Mixed parsimony by uphill search */ #ifdef MAC argc = 1; /* macsetup("Mix",""); */ argv[0] = "Mix"; #endif init(argc, argv); progname = argv[0]; openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; msets = 1; firstset = true; garbage = NULL; bits = 8*sizeof(long) - 1; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); if(ancvar) openfile(&ancfile,ANCFILE,"ancestors file", "r",argv[0],ancfilename); if(mixture) openfile(&mixfile,MIXFILE,"mixture file", "r",argv[0],mixfilename); for (ith = 1; ith <= msets; ith++) { if(firstset){ if (allsokal && !mixture) fprintf(outfile, "Camin-Sokal parsimony method\n\n"); if (allwagner && !mixture) fprintf(outfile, "Wagner parsimony method\n\n"); } doinput(); if (msets > 1 && !justwts) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } if (justwts){ if(firstset && mixture && printdata) printmixture(outfile, wagner); fprintf(outfile, "Weights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } else if (mixture && printdata) printmixture(outfile, wagner); if (printdata){ if (weights || justwts) printweights(outfile, 0, chars, weight, "Characters"); if (ancvar) printancestors(outfile, anczero, ancone); } if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); } free(place); free(steps); free(zeroanc); free(oneanc); free(fulzeroanc); free(empzeroanc); FClose(outfile); FClose(infile); FClose(outtree); #ifdef MAC fixmacfile(outtreename); fixmacfile(outfilename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Mixed parsimony by uphill search */ ./arbsrc_9167/GDE/PHYLIP/move.c0000644012664100000130000011742011213220011015641 0ustar arb_buildcoders #include "phylip.h" #include "disc.h" #include "moves.h" #include "wagner.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define overr 4 #define which 1 typedef enum { horiz, vert, up, overt, upcorner, downcorner, onne, zerro, question } chartype; typedef enum { arb, use, spec } howtree; typedef enum { rearr, flipp, reroott, none } rearrtype; #ifndef OLDC /*function prototypes */ void getoptions(void); void inputoptions(void); void allocrest(void); void doinput(void); void configure(void); void prefix(chartype); void postfix(chartype); void makechar(chartype); void move_fillin(node *); void move_postorder(node *); void evaluate(node *); void reroot(node *); void move_filltrav(node *); void move_hyptrav(node *); void move_hypstates(void); void grwrite(chartype, long, long *); void move_drawline(long, long); void move_printree(void); void arbitree(void); void yourtree(void); void initmovenode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void buildtree(void); void rearrange(void); void tryadd(node *, node *, node *, double *); void addpreorder(node *, node *, node *, double *); void try(void); void undo(void); void treewrite(boolean); void clade(void); void flip(void); void changeoutgroup(void); void redisplay(void); void treeconstruct(void); /*function prototypes */ #endif char infilename[FNMLNGTH],intreename[FNMLNGTH],outtreename[FNMLNGTH], weightfilename[FNMLNGTH], ancfilename[FNMLNGTH], mixfilename[FNMLNGTH], factfilename[FNMLNGTH]; node *root; long outgrno, screenlines, col, treelines, leftedge, topedge, vmargin, hscroll, vscroll, scrollinc, screenwidth, farthest; /* outgrno indicates outgroup */ boolean weights, thresh, outgropt, ancvar, questions, allsokal, allwagner, mixture, factors, noroot, waswritten; boolean *ancone, *anczero, *ancone0, *anczero0; Char *factor; pointptr treenode; /* pointers to all nodes in tree */ double threshold; double *threshwt; bitptr wagner, wagner0; unsigned char che[9]; boolean reversed[9]; boolean graphic[9]; howtree how; gbit *garbage; char* progname; Char ch; /* Variables for treeread */ boolean usertree, goteof, firsttree, haslengths; pointarray nodep; node *grbg; long *zeros; /* Local variables for treeconstruct, propagated globally for C vesion: */ long dispchar, dispword, dispbit, atwhat, what, fromwhere, towhere, oldoutgrno, compatible; double like, bestyet, gotlike; Char *guess; boolean display, newtree, changed, subtree, written, oldwritten, restoring, wasleft, oldleft, earlytree; boolean *in_tree; steptr numsteps, numsone, numszero; long fullset; bitptr steps, zeroanc, oneanc; node *nuroot; rearrtype lastop; boolean *names; void getoptions() { /* interactively set options */ long loopcount; Char ch; boolean done, gotopt; how = arb; usertree = false; goteof = false; outgrno = 1; outgropt = false; thresh = false; threshold = spp; weights = false; ancvar = false; allsokal = false; allwagner = true; mixture = false; factors = false; loopcount = 0; do { printf((ansi || ibmpc) ? "\033[2J\033[H" : "\n"); printf("\n\nInteractive mixed parsimony algorithm, version %s\n\n", VERSION); printf("Settings for this run:\n"); printf(" X Use Mixed method? %s\n", mixture ? "Yes" : "No"); printf(" P Parsimony method? %s\n", (allwagner && !mixture) ? "Wagner" : (!(allwagner || mixture)) ? "Camin-Sokal" : "(methods in mixture)"); printf(" A Use ancestral states? %s\n", ancvar ? "Yes" : "No"); printf(" F Use factors information? %s\n", factors ? "Yes" : "No"); printf(" O Outgroup root? %s %3ld\n", outgropt ? "Yes, at species number" : "No, use as outgroup species", outgrno); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" U Initial tree (arbitrary, user, specify)? %s\n", (how == arb) ? "Arbitrary" : (how == use) ? "User tree from tree file" : "Tree you specify"); printf(" 0 Graphics type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" S Width of terminal screen?"); printf("%4ld\n", screenwidth); printf(" L Number of lines on screen?%4ld",screenlines); printf("\n\nAre these settings correct?"); printf(" (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); done = (ch == 'Y'); gotopt = (strchr("SFOTXPAU0WL",ch) != NULL) ? true : false; if (gotopt) { switch (ch) { case 'F': factors = !factors; break; case 'X': mixture = !mixture; break; case 'W': weights = !weights; break; case 'P': allwagner = !allwagner; break; case 'A': ancvar = !ancvar; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'U': if (how == arb) how = use; else if (how == use) how = spec; else how = arb; break; case '0': initterminal(&ibmpc, &ansi); break; case 'S': screenwidth= readlong("Width of terminal screen (in characters)?\n"); break; case 'L': initnumlines(&screenlines); break; } } if (!(gotopt || done)) printf("Not a possible option!\n"); countup(&loopcount, 100); } while (!done); allsokal = (!allwagner && !mixture); if (scrollinc < screenwidth / 2.0) hscroll = scrollinc; else hscroll = screenwidth / 2; if (scrollinc < screenlines / 2.0) vscroll = scrollinc; else vscroll = screenlines / 2; } /* getoptions */ void inputoptions() { /* input the information on the options */ long i; scan_eoln(infile); for (i = 0; i < (chars); i++) weight[i] = 1; if (ancvar) inputancestorsnew(anczero0, ancone0); if (factors) { factor = (Char *)Malloc(chars*sizeof(Char)); inputfactorsnew(chars, factor, &factors); } if (mixture) inputmixturenew(wagner0); if (weights) inputweights(chars, weight, &weights); putchar('\n'); if (weights) printweights(stdout, 0, chars, weight, "Characters"); for (i = 0; i < (words); i++) { if (mixture) wagner[i] = wagner0[i]; else if (allsokal) wagner[i] = 0; else wagner[i] = (1L << (bits + 1)) - (1L << 1); } if (allsokal && !mixture) printf("Camin-Sokal parsimony method\n\n"); if (allwagner && !mixture) printf("Wagner parsimony method\n\n"); if (mixture) printmixture(stdout, wagner); for (i = 0; i < (chars); i++) { if (!ancvar) { anczero[i] = true; ancone[i] = (((1L << (i % bits + 1)) & wagner[i / bits]) != 0); } else { anczero[i] = anczero0[i]; ancone[i] = ancone0[i]; } } if (factors) printfactors(stdout, chars, factor, ""); if (ancvar) printancestors(stdout, anczero, ancone); noroot = true; questions = false; for (i = 0; i < (chars); i++) { if (weight[i] > 0) { noroot = (noroot && ancone[i] && anczero[i] && ((((1L << (i % bits + 1)) & wagner[i / bits]) != 0) || threshold <= 2.0)); } questions = (questions || (ancone[i] && anczero[i])); threshwt[i] = threshold * weight[i]; } } /* inputoptions */ void allocrest() { nayme = (naym *)Malloc(spp*sizeof(naym)); in_tree = (boolean *)Malloc(nonodes*sizeof(boolean)); extras = (steptr)Malloc(chars*sizeof(long)); weight = (steptr)Malloc(chars*sizeof(long)); numsteps = (steptr)Malloc(chars*sizeof(long)); numsone = (steptr)Malloc(chars*sizeof(long)); numszero = (steptr)Malloc(chars*sizeof(long)); threshwt = (double *)Malloc(chars*sizeof(double)); guess = (Char *)Malloc(chars*sizeof(Char)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); wagner = (bitptr)Malloc(words*sizeof(long)); wagner0 = (bitptr)Malloc(words*sizeof(long)); steps = (bitptr)Malloc(words*sizeof(long)); zeroanc = (bitptr)Malloc(words*sizeof(long)); oneanc = (bitptr)Malloc(words*sizeof(long)); } /* allocrest */ void doinput() { /* reads the input data */ inputnumbers(&spp, &chars, &nonodes, 1); words = chars / bits + 1; printf("%2ld species, %3ld characters\n", spp, chars); printf("\nReading input file ...\n\n"); getoptions(); if (weights) openfile(&weightfile,WEIGHTFILE,"weights file","r",progname,weightfilename); if(ancvar) openfile(&ancfile,ANCFILE,"ancestors file", "r",progname,ancfilename); if(mixture) openfile(&mixfile,MIXFILE,"mixture file", "r",progname,mixfilename); if(factors) openfile(&factfile,FACTFILE,"factors file", "r",progname,factfilename); alloctree(&treenode); setuptree(treenode); allocrest(); inputoptions(); inputdata(treenode, true, false, stdout); } /* doinput */ void configure() { /* configure to machine -- set up special characters */ chartype a; for (a = horiz; (long)a <= (long)question; a = (chartype)((long)a + 1)) reversed[(long)a] = false; for (a = horiz; (long)a <= (long)question; a = (chartype)((long)a + 1)) graphic[(long)a] = false; if (ibmpc) { che[(long)horiz] = 205; graphic[(long)horiz] = true; che[(long)vert] = 186; graphic[(long)vert] = true; che[(long)up] = 186; graphic[(long)up] = true; che[(long)overt] = 205; graphic[(long)overt] = true; che[(long)onne] = 219; reversed[(long)onne] = true; che[(long)zerro] = 176; graphic[(long)zerro] = true; che[(long)question] = 178; /* or try CHR(177) */ graphic[(long)question] = true; che[(long)upcorner] = 200; graphic[(long)upcorner] = true; che[(long)downcorner] = 201; graphic[(long)downcorner] = true; return; } if (ansi) { che[(long)onne] = ' '; reversed[(long)onne] = true; che[(long)horiz] = che[(long)onne]; reversed[(long)horiz] = true; che[(long)vert] = che[(long)onne]; reversed[(long)vert] = true; che[(long)up] = 'x'; graphic[(long)up] = true; che[(long)overt] = 'q'; graphic[(long)overt] = true; che[(long)zerro] = 'a'; graphic[(long)zerro] = true; reversed[(long)zerro] = true; che[(long)question] = '?'; reversed[(long)question] = true; che[(long)upcorner] = 'm'; graphic[(long)upcorner] = true; che[(long)downcorner] = 'l'; graphic[(long)downcorner] = true; return; } che[(long)horiz] = '='; che[(long)vert] = ' '; che[(long)up] = '!'; che[(long)overt] = '-'; che[(long)onne] = '*'; che[(long)zerro] = '='; che[(long)question] = '.'; che[(long)upcorner] = '`'; che[(long)downcorner] = ','; } /* configure */ void prefix(chartype a) { /* give prefix appropriate for this character */ if (reversed[(long)a]) prereverse(ansi); if (graphic[(long)a]) pregraph(ansi); } /* prefix */ void postfix(chartype a) { /* give postfix appropriate for this character */ if (reversed[(long)a]) postreverse(ansi); if (graphic[(long)a]) postgraph(ansi); } /* postfix */ void makechar(chartype a) { /* print out a character with appropriate prefix or postfix */ prefix(a); putchar(che[(long)a]); postfix(a); } /* makechar */ void move_fillin(node *p) { /* Sets up for each node in the tree two statesets. stateone and statezero are the sets of character states that must be 1 or must be 0, respectively, in a most parsimonious reconstruction, based on the information at or above this node. Note that this state assignment may change based on information further down the tree. If a character is in both sets it is in state "P". If in neither, it is "?". */ long i; long l0, l1, r0, r1, st, wa, za, oa; for (i = 0; i < (words); i++) { l0 = p->next->back->statezero[i]; l1 = p->next->back->stateone[i]; r0 = p->next->next->back->statezero[i]; r1 = p->next->next->back->stateone[i]; wa = wagner[i]; za = zeroanc[i]; oa = oneanc[i]; st = (l1 & r0) | (l0 & r1); steps[i] = st; p->stateone[i] = (l1 | r1) & (~(st & (wa | za))); p->statezero[i] = (l0 | r0) & (~(st & (wa | oa))); } } /* move_fillin */ void move_postorder(node *p) { /* traverses a binary tree, calling function fillin at a node's descendants before calling fillin at the node */ if (p->tip) return; move_postorder(p->next->back); move_postorder(p->next->next->back); move_fillin(p); count(steps, zeroanc, numszero, numsone); } /* move_postorder */ void evaluate(node *r) { /* Determines the number of steps needed for a tree. This is the minimum number needed to evolve chars on this tree */ long i, stepnum, smaller; double sum; boolean nextcompat, thiscompat, done; sum = 0.0; for (i = 0; i < (chars); i++) { numszero[i] = 0; numsone[i] = 0; } for (i = 0; i < (words); i++) { zeroanc[i] = fullset; oneanc[i] = 0; } compatible = 0; nextcompat = true; move_postorder(r); count(r->stateone, zeroanc, numszero, numsone); for (i = 0; i < (words); i++) { zeroanc[i] = 0; oneanc[i] = fullset; } move_postorder(r); count(r->statezero, zeroanc, numszero, numsone); for (i = 0; i < (chars); i++) { smaller = spp * weight[i]; numsteps[i] = smaller; if (anczero[i]) { numsteps[i] = numszero[i]; smaller = numszero[i]; } if (ancone[i] && numsone[i] < smaller) numsteps[i] = numsone[i]; stepnum = numsteps[i] + extras[i]; if (stepnum <= threshwt[i]) sum += stepnum; else sum += threshwt[i]; thiscompat = (stepnum <= weight[i]); if (factors) { done = (i + 1 == chars); if (!done) done = (factor[i + 1] != factor[i]); nextcompat = (nextcompat && thiscompat); if (done) { if (nextcompat) compatible += weight[i]; nextcompat = true; } } else if (thiscompat) compatible += weight[i]; guess[i] = '?'; if (!ancone[i] || (anczero[i] && numszero[i] < numsone[i])) guess[i] = '0'; else if (!anczero[i] || (ancone[i] && numsone[i] < numszero[i])) guess[i] = '1'; } like = -sum; } /* evaluate */ void reroot(node *outgroup) { /* reorients tree, putting outgroup in desired position. */ node *p, *q, *newbottom, *oldbottom; boolean onleft; if (outgroup->back->index == root->index) return; newbottom = outgroup->back; p = treenode[newbottom->index - 1]->back; while (p->index != root->index) { oldbottom = treenode[p->index - 1]; treenode[p->index - 1] = p; p = oldbottom->back; } onleft = (p == root->next); if (restoring) if (!onleft && wasleft){ p = root->next->next; q = root->next; } else { p = root->next; q = root->next->next; } else { if (onleft) oldoutgrno = root->next->next->back->index; else oldoutgrno = root->next->back->index; wasleft = onleft; p = root->next; q = root->next->next; } p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; if (restoring) { if (!onleft && wasleft) { outgroup->back->back = root->next; outgroup->back = root->next->next; } else { outgroup->back->back = root->next->next; outgroup->back = root->next; } } else { outgroup->back->back = root->next->next; outgroup->back = root->next; } treenode[newbottom->index - 1] = newbottom; } /* reroot */ void move_filltrav(node *r) { /* traverse to fill in interior node states */ if (r->tip) return; move_filltrav(r->next->back); move_filltrav(r->next->next->back); move_fillin(r); } /* move_filltrav */ void move_hyptrav(node *r) { /* compute states at one interior node */ long i; boolean bottom; long l0, l1, r0, r1, s0, s1, a0, a1, temp, wa; gbit *zerobelow = NULL, *onebelow = NULL; disc_gnu(&zerobelow, &garbage); disc_gnu(&onebelow, &garbage); bottom = (r->back == NULL); if (bottom) { memcpy(zerobelow->bits_, zeroanc, words*sizeof(long)); memcpy(onebelow->bits_, oneanc, words*sizeof(long)); } else { memcpy(zerobelow->bits_, treenode[r->back->index - 1]->statezero, words*sizeof(long)); memcpy(onebelow->bits_, treenode[r->back->index - 1]->stateone, words*sizeof(long)); } for (i = 0; i < (words); i++) { s0 = r->statezero[i]; s1 = r->stateone[i]; a0 = zerobelow->bits_[i]; a1 = onebelow->bits_[i]; if (!r->tip) { wa = wagner[i]; l0 = r->next->back->statezero[i]; l1 = r->next->back->stateone[i]; r0 = r->next->next->back->statezero[i]; r1 = r->next->next->back->stateone[i]; s0 = (wa & ((a0 & l0) | (a0 & r0) | (l0 & r0))) | (fullset & (~wa) & s0); s1 = (wa & ((a1 & l1) | (a1 & r1) | (l1 & r1))) | (fullset & (~wa) & s1); temp = fullset & (~(s0 | s1 | l1 | l0 | r1 | r0)); s0 |= temp & a0; s1 |= temp & a1; r->statezero[i] = s0; r->stateone[i] = s1; } } if (((1L << dispbit) & r->stateone[dispword - 1]) != 0) { if (((1L << dispbit) & r->statezero[dispword - 1]) != 0) r->state = '?'; else r->state = '1'; } else { if (((1L << dispbit) & r->statezero[dispword - 1]) != 0) r->state = '0'; else r->state = '?'; } if (!r->tip) { move_hyptrav(r->next->back); move_hyptrav(r->next->next->back); } disc_chuck(zerobelow, &garbage); disc_chuck(onebelow, &garbage); } /* move_hyptrav */ void move_hypstates() { /* fill in and describe states at interior nodes */ long i, j, k; for (i = 0; i < (words); i++) { zeroanc[i] = 0; oneanc[i] = 0; } for (i = 0; i < (chars); i++) { j = i / bits + 1; k = i % bits + 1; if (guess[i] == '0') zeroanc[j - 1] = ((long)zeroanc[j - 1]) | (1L << k); if (guess[i] == '1') oneanc[j - 1] = ((long)oneanc[j - 1]) | (1L << k); } move_filltrav(root); move_hyptrav(root); } /* move_hypstates */ void grwrite(chartype c, long num, long *pos) { long i; prefix(c); for (i = 1; i <= num; i++) { if ((*pos) >= leftedge && (*pos) - leftedge + 1 < screenwidth) putchar(che[(long)c]); (*pos)++; } postfix(c); } /* grwrite */ void move_drawline(long i, long lastline) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j, pos; boolean extra, done; Char st; chartype c, d; pos = 1; p = nuroot; q = nuroot; extra = false; if (i == (long)p->ycoord && (p == root || subtree)) { extra = true; c = overt; if (display) { switch (p->state) { case '1': c = onne; break; case '0': c = zerro; break; case '?': c = question; break; } } if ((subtree)) stwrite("Subtree:", 8, &pos, leftedge, screenwidth); if (p->index >= 100) nnwrite(p->index, 3, &pos, leftedge, screenwidth); else if (p->index >= 10) { grwrite(c, 1, &pos); nnwrite(p->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(p->index, 1, &pos, leftedge, screenwidth); } } else { if (subtree) stwrite(" ", 10, &pos, leftedge, screenwidth); else stwrite(" ", 2, &pos, leftedge, screenwidth); } do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)p->xcoord - (long)q->xcoord; if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if ((long)q->ycoord > (long)p->ycoord) d = upcorner; else d = downcorner; c = overt; if (display) { switch (q->state) { case '1': c = onne; break; case '0': c = zerro; break; case '?': c = question; break; } d = c; } if (n > 1) { grwrite(d, 1, &pos); grwrite(c, n - 3, &pos); } if (q->index >= 100) nnwrite(q->index, 3, &pos, leftedge, screenwidth); else if (q->index >= 10) { grwrite(c, 1, &pos); nnwrite(q->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(q->index, 1, &pos, leftedge, screenwidth); } extra = true; } else if (!q->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { c = up; if (i < (long)p->ycoord) st = p->next->back->state; else st = p->next->next->back->state; if (display) { switch (st) { case '1': c = onne; break; case '0': c = zerro; break; case '?': c = question; break; } } grwrite(c, 1, &pos); chwrite(' ', n - 1, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); if (p != q) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { n = 0; for (j = 1; j <= nmlngth; j++) { if (nayme[p->index - 1][j - 1] != '\0') n = j; } chwrite(':', 1, &pos, leftedge, screenwidth); for (j = 0; j < n; j++) chwrite(nayme[p->index - 1][j], 1, &pos, leftedge, screenwidth); } putchar('\n'); } /* move_drawline */ void move_printree() { /* prints out diagram of the tree */ long tipy, i, rover, dow; if (!subtree) nuroot = root; if (changed || newtree) evaluate(root); if (display) move_hypstates(); if (ansi || ibmpc) printf("\033[2J\033[H"); else putchar('\n'); tipy = 1; rover = 100 / spp; if (rover > overr) rover = overr; dow = down; if (spp * dow > screenlines && !subtree) { dow--; rover--; } if (noroot) printf("(unrooted)"); if (display) { printf(" "); makechar(onne); printf(":1 "); makechar(question); printf(":? "); makechar(zerro); printf(":0 "); } else printf(" "); if (!earlytree) { printf("%10.1f Steps", -like); } if (display) printf(" CHAR%3ld", dispchar); else printf(" "); if (!earlytree) { printf(" %3ld chars compatible\n", compatible); } printf(" "); if (changed && !earlytree) { if (-like < bestyet) { printf(" BEST YET!"); bestyet = -like; } else if (fabs(-like - bestyet) < 0.000001) printf(" (as good as best)"); else { if (-like < gotlike) printf(" better"); else if (-like > gotlike) printf(" worse!"); } } printf("\n"); farthest = 0; coordinates(nuroot, &tipy, 1.5, &farthest); vmargin = 4; treelines = tipy - dow; if (topedge != 1) { printf("** %ld lines above screen **\n", topedge - 1); vmargin++; } if ((treelines - topedge + 1) > (screenlines - vmargin)) vmargin++; for (i = 1; i <= treelines; i++) { if (i >= topedge && i < topedge + screenlines - vmargin) move_drawline(i, treelines); } if ((treelines - topedge + 1) > (screenlines - vmargin)) { printf("** %ld", treelines - (topedge - 1 + screenlines - vmargin)); printf(" lines below screen **\n"); } if (treelines - topedge + vmargin + 1 < screenlines) putchar('\n'); gotlike = -like; changed = false; } /* move_printree */ void arbitree() { long i; root = treenode[0]; add2(treenode[0], treenode[1], treenode[spp], &root, restoring, wasleft, treenode); for (i = 3; i <= (spp); i++) add2(treenode[spp+ i - 3], treenode[i - 1], treenode[spp + i - 2], &root, restoring, wasleft, treenode); for (i = 0; i < (nonodes); i++) in_tree[i] = true; } /* arbitree */ void yourtree() { long i, j; boolean ok; root = treenode[0]; add2(treenode[0], treenode[1], treenode[spp], &root, restoring, wasleft, treenode); i = 2; do { i++; move_printree(); printf("\nAdd species%3ld: \n", i); printf(" \n"); for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); do { printf("\nbefore node (type number): "); inpnum(&j, &ok); ok = (ok && ((j >= 1 && j < i) || (j > spp && j < spp + i - 1))); if (!ok) printf("Impossible number. Please try again:\n"); } while (!ok); add2(treenode[j - 1], treenode[i - 1], treenode[spp + i - 2], &root, restoring, wasleft, treenode); } while (i != spp); for (i = 0; i < (nonodes); i++) in_tree[i] = true; } /* yourtree */ void initmovenode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ /* LM 7/27 I added this function and the commented lines around */ /* treeread() to get the program running, but all 4 move programs*/ /* are improperly integrated into the v4.0 support files. As is */ /* this is a patchwork function */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnutreenode(grbg, p, nodei, chars, zeros); treenode[nodei - 1] = *p; break; case nonbottom: gnutreenode(grbg, p, nodei, chars, zeros); break; case tip: match_names_to_data (str, treenode, p, spp); break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); /* process lengths and discard */ default: /*cases hslength,hsnolength,treewt,unittrwt,iter,*/ break; } } /* initmovenode */ void buildtree() { long i, j, nextnode; node *p; changed = false; newtree = false; switch (how) { case arb: arbitree(); break; case use: openfile(&intree,INTREE,"input tree file", "r",progname,intreename); names = (boolean *)Malloc(spp*sizeof(boolean)); firsttree = true; /**/ nodep = NULL; /**/ nextnode = 0; /**/ haslengths = 0; /**/ zeros = (long *)Malloc(chars*sizeof(long)); /**/ for (i = 0; i < chars; i++) /**/ zeros[i] = 0; /**/ treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initmovenode); /*debug*/ for (i = spp; i < (nonodes); i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->stateone = (bitptr)Malloc(words*sizeof(long)); p->statezero = (bitptr)Malloc(words*sizeof(long)); p = p->next; } } /* debug: see comment at initmovenode() */ /* treeread(which, ch, &root, treenode, names);*/ for (i = 0; i < (spp); i++) in_tree[i] = names[i]; free(names); FClose(intree); break; case spec: yourtree(); break; } if (!outgropt) outgrno = root->next->back->index; if (outgropt && in_tree[outgrno - 1]) reroot(treenode[outgrno - 1]); } /* buildtree */ void rearrange() { long i, j; boolean ok1, ok2; node *p, *q; printf("Remove everything to the right of which node? "); inpnum(&i, &ok1); ok1 = (ok1 && i >= 1 && i < spp * 2 && i != root->index); if (ok1) { printf("Add before which node? "); inpnum(&j, &ok2); ok2 = (ok2 && j >= 1 && j < spp * 2); if (ok2) { ok2 = (treenode[j - 1] != treenode[treenode[i - 1]->back->index - 1]); p = treenode[j - 1]; while (p != root) { ok2 = (ok2 && p != treenode[i - 1]); p = treenode[p->back->index - 1]; } if (ok1 && ok2) { what = i; q = treenode[treenode[i - 1]->back->index - 1]; if (q->next->back->index == i) fromwhere = q->next->next->back->index; else fromwhere = q->next->back->index; towhere = j; re_move2(&treenode[i - 1], &q, &root, &wasleft, treenode); add2(treenode[j - 1], treenode[i - 1], q, &root, restoring, wasleft, treenode); } lastop = rearr; } } changed = (ok1 && ok2); move_printree(); if (!(ok1 && ok2)) printf("Not a possible rearrangement. Try again: "); else { oldwritten =written; written = false; } } /* rearrange */ void tryadd(node *p, node *item, node *nufork, double *place) { /* temporarily adds one fork and one tip to the tree. Records scores in array place */ add2(p, item, nufork, &root, restoring, wasleft, treenode); evaluate(root); place[p->index - 1] = -like; re_move2(&item, &nufork, &root, &wasleft, treenode); } /* tryadd */ void addpreorder(node *p, node *item, node *nufork, double *place) { /* traverses a binary tree, calling function tryadd at a node before calling tryadd at its descendants */ if (p == NULL) return; tryadd(p,item,nufork,place); if (!p->tip) { addpreorder(p->next->back, item, nufork, place); addpreorder(p->next->next->back, item, nufork, place); } } /* addpreorder */ void try() { /* Remove node, try it in all possible places */ double *place; long i, j, oldcompat; double current; node *q, *dummy, *rute; boolean tied, better, ok; printf("Try other positions for which node? "); inpnum(&i, &ok); if (!(ok && i >= 1 && i <= nonodes && i != root->index)) { printf("Not a possible choice! "); return; } printf("WAIT ...\n"); place = (double *)Malloc(nonodes*sizeof(double)); for (j = 0; j < (nonodes); j++) place[j] = -1.0; evaluate(root); current = -like; oldcompat = compatible; what = i; q = treenode[treenode[i - 1]->back->index - 1]; if (q->next->back->index == i) fromwhere = q->next->next->back->index; else fromwhere = q->next->back->index; rute = root; if (root->index == treenode[i - 1]->back->index) { if (treenode[treenode[i - 1]->back->index - 1]->next->back == treenode[i - 1]) rute = treenode[treenode[i - 1]->back->index - 1]->next->next->back; else rute = treenode[treenode[i - 1]->back->index - 1]->next->back; } re_move2(&treenode[i - 1], &dummy, &root, &wasleft, treenode); oldleft = wasleft; root = rute; addpreorder(root, treenode[i - 1], dummy, place); wasleft =oldleft; restoring = true; add2(treenode[fromwhere - 1], treenode[what - 1],dummy, &root, restoring, wasleft, treenode); like = -current; compatible = oldcompat; restoring = false; better = false; printf(" BETTER: "); for (j = 1; j <= (nonodes); j++) { if (place[j - 1] < current && place[j - 1] >= 0.0) { printf("%3ld:%6.2f", j, place[j - 1]); better = true; } } if (!better) printf(" NONE"); printf("\n TIED: "); tied = false; for (j = 1; j <= (nonodes); j++) { if (fabs(place[j - 1] - current) < 1.0e-6 && j != fromwhere) { if (j < 10) printf("%2ld", j); else printf("%3ld", j); tied = true; } } if (tied) printf(":%6.2f\n", current); else printf("NONE\n"); changed = true; free(place); } /* try */ void undo() { /* restore to tree before last rearrangement */ long temp; boolean btemp; node *q; switch (lastop) { case rearr: restoring = true; oldleft = wasleft; re_move2(&treenode[what - 1], &q, &root, &wasleft, treenode); btemp = wasleft; wasleft = oldleft; add2(treenode[fromwhere - 1], treenode[what - 1],q, &root, restoring, wasleft, treenode); wasleft = btemp; restoring = false; temp = fromwhere; fromwhere = towhere; towhere = temp; changed = true; break; case flipp: q = treenode[atwhat - 1]->next->back; treenode[atwhat - 1]->next->back = treenode[atwhat - 1]->next->next->back; treenode[atwhat - 1]->next->next->back = q; treenode[atwhat - 1]->next->back->back = treenode[atwhat - 1]->next; treenode[atwhat - 1]->next->next->back->back = treenode[atwhat - 1]->next->next; break; case reroott: restoring = true; temp = oldoutgrno; oldoutgrno = outgrno; outgrno = temp; reroot(treenode[outgrno - 1]); restoring = false; break; case none: /* blank case */ break; } move_printree(); if (lastop == none) { printf("No operation to undo! \n"); return; } btemp = oldwritten; oldwritten = written; written = btemp; } /* undo */ void treewrite(boolean done) { /* write out tree to a file */ Char ch; treeoptions(waswritten, &ch, &outtree, outtreename, progname); if (!done) move_printree(); if (waswritten && ch == 'N') return; col = 0; treeout(root, 1, &col, root); printf("\nTree written to file \"%s\"\n\n", outtreename); waswritten = true; written = true; FClose(outtree); #ifdef MAC fixmacfile(outtreename); #endif } /* treewrite */ void clade() { /* pick a subtree and show only that on screen */ long i; boolean ok; printf("Select subtree rooted at which node (0 for whole tree)? "); inpnum(&i, &ok); ok = (ok && (unsigned)i <= nonodes); if (ok) { subtree = (i > 0); if (subtree) nuroot = treenode[i - 1]; else nuroot = root; } move_printree(); if (!ok) printf("Not possible to use this node. "); } /* clade */ void flip() { /* flip at a node left-right */ long i; boolean ok; node *p; printf("Flip branches at which node? "); inpnum(&i, &ok); ok = (ok && i > spp && i <= nonodes); if (ok) { p = treenode[i - 1]->next->back; treenode[i - 1]->next->back = treenode[i - 1]->next->next->back; treenode[i - 1]->next->next->back = p; treenode[i - 1]->next->back->back = treenode[i - 1]->next; treenode[i - 1]->next->next->back->back = treenode[i - 1]->next->next; atwhat = i; lastop = flipp; } move_printree(); if (ok) { oldwritten = written; written = false; return; } if (i >= 1 && i <= spp) printf("Can't flip there. "); else printf("No such node. "); } /* flip */ void changeoutgroup() { long i; boolean ok; oldoutgrno = outgrno; do { printf("Which node should be the new outgroup? "); inpnum(&i, &ok); ok = (ok && in_tree[i - 1] && i >= 1 && i <= nonodes && i != root->index); if (ok) outgrno = i; } while (!ok); if (in_tree[outgrno - 1]) reroot(treenode[outgrno - 1]); changed = true; lastop = reroott; move_printree(); oldwritten = written; written = false; } /* changeoutgroup */ void redisplay() { boolean done=false; waswritten = false; do { printf("\nNEXT? (Options: R # + - S . T U W O F H J K L C ? X Q) "); printf("(? for Help) "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (strchr("R#+-S.TUWOFHJKLC?XQ",ch) != NULL){ switch (ch) { case 'R': rearrange(); break; case '#': nextinc(&dispchar, &dispword, &dispbit, chars, bits, &display, numsteps, weight); move_printree(); break; case '+': nextchar(&dispchar, &dispword, &dispbit, chars, bits, &display); move_printree(); break; case '-': prevchar(&dispchar, &dispword, &dispbit, chars, bits, &display); move_printree(); break; case 'S': show(&dispchar, &dispword, &dispbit, chars, bits, &display); move_printree(); break; case '.': move_printree(); break; case 'T': try(); break; case 'U': undo(); break; case 'W': treewrite(done); break; case 'O': changeoutgroup(); break; case 'F': flip(); break; case 'H': window(left, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); move_printree(); break; case 'J': window(downn, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); move_printree(); break; case 'K': window(upp, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); move_printree(); break; case 'L': window(right, &leftedge, &topedge, hscroll, vscroll, treelines, screenlines, screenwidth, farthest, subtree); move_printree(); break; case 'C': clade(); break; case '?': help("character"); move_printree(); break; case 'X': done = true; break; case 'Q': done = true; break; } } } while (!done); if (!written) { do { printf("Do you want to write out the tree to a file? (Y or N) "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; } while (ch != 'Y' && ch != 'y' && ch != 'N' && ch != 'n'); } if (ch == 'Y' || ch == 'y') treewrite(done); } /* redisplay */ void treeconstruct() { /* constructs a binary tree from the pointers in treenode. */ restoring = false; subtree = false; display = false; dispchar = 0; fullset = (1L << (bits + 1)) - (1L << 1); earlytree = true; buildtree(); waswritten = false; printf("\nComputing steps needed for compatibility in characters...\n\n"); newtree = true; earlytree = false; move_printree(); bestyet = -like; gotlike = -like; lastop = none; newtree = false; written = false; redisplay(); } /* treeconstruct */ int main(int argc, Char *argv[]) { /* Interactive mixed parsimony */ /* reads in spp, chars, and the data. Then calls treeconstruct to */ /* construct the tree and query the user */ #ifdef MAC argc = 1; /* macsetup("Move",""); */ argv[0] = "Move"; #endif init(argc, argv); progname = argv[0]; strcpy(infilename,INFILE); strcpy(intreename,INTREE); strcpy(outtreename,OUTTREE); openfile(&infile,infilename,"input file", "r",argv[0],infilename); screenlines = 24; scrollinc = 20; screenwidth = 80; topedge = 1; leftedge = 1; ibmpc = IBMCRT; ansi = ANSICRT; root = NULL; bits = 8*sizeof(long) - 1; doinput(); configure(); treeconstruct(); FClose(outtree); #ifdef MAC fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Interactive mixed parsimony */ ./arbsrc_9167/GDE/PHYLIP/moves.c0000644012664100000130000001626111213220011016025 0ustar arb_buildcoders #include "phylip.h" #include "moves.h" void inpnum(long *n, boolean *success) { /* used by dnamove, dolmove, move, & retree */ int fields; char line[100]; #ifdef WIN32 phyFillScreenColor(); #endif getstryng(line); *n = atof(line); fields = sscanf(line,"%ld",n); *success = (fields == 1); } /* inpnum */ void prereverse(boolean ansi) { /* turn on reverse video */ printf(ansi ? "\033[7m": ""); } /* prereverse */ void postreverse(boolean ansi) { /* turn off reverse video */ printf(ansi ? "\033[0m" : ""); } /* postreverse */ void chwrite(Char ch, long num, long *pos, long leftedge, long screenwidth) { long i; for (i = 1; i <= num; i++) { if ((*pos) >= leftedge && (*pos) - leftedge + 1 < screenwidth) putchar(ch); (*pos)++; } } /* chwrite */ void nnwrite(long nodenum,long num,long *pos,long leftedge,long screenwidth) { long i, leftx; leftx = leftedge - (*pos); if ((*pos) >= leftedge && (*pos) - leftedge + num < screenwidth) printf("%*ld", (int)num, nodenum); else if (leftx > 0 && leftx < 3) for(i=0;i= leftedge && (*pos) - leftedge + 1 < screenwidth) printf("%*s", (int)length, s); (*pos) += length; } /* stwrite */ void help(const char *letters) { /* display help information */ char input[100]; printf("\n\nR Rearrange a tree by moving a node or group\n"); printf("# Show the states of the next %s that doesn't fit tree\n", letters); printf("+ Show the states of the next %s\n", letters); printf("- ... of the previous %s\n", letters); printf("S Show the states of a given %s\n", letters); printf(". redisplay the same tree again\n"); printf("T Try all possible positions of a node or group\n"); printf("U Undo the most recent rearrangement\n"); printf("W Write tree to a file\n"); printf("O select an Outgroup for the tree\n"); printf("F Flip (rotate) branches at a node\n"); printf("H Move viewing window to the left\n"); printf("J Move viewing window downward\n"); printf("K Move viewing window upward\n"); printf("L Move viewing window to the right\n"); printf("C show only one Clade (subtree) (useful if tree is too big)\n"); printf("? Help (this screen)\n"); printf("Q (Quit) Exit from program\n"); printf("X Exit from program\n\n\n"); printf("TO CONTINUE, PRESS ON THE Return OR Enter KEY"); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); } /* help */ void treeoptions(boolean waswritten, Char *ch, FILE **outtree, Char *outtreename, Char *progname) { /* interactively get options for writing a tree */ char input[100]; if (waswritten) { printf("\nTree file already was open.\n"); printf(" A Add to this tree to tree file\n"); printf(" R Replace tree file contents by this tree\n"); printf(" F Write out tree to a different tree file\n"); printf(" N Do Not write out this tree\n"); do { printf("Which should we do? "); #ifdef WIN32 phyFillScreenColor(); #endif getstryng(input); *ch = input[0]; uppercase(ch); } while (*ch != 'A' && *ch != 'R' && *ch != 'N' && *ch != 'F'); } if (*ch == 'F'){ outtreename[0] = '\0'; while (outtreename[0] =='\0'){ printf("Please enter a tree file name>"); #ifdef MAC fixmacfile(outtreename); #endif #ifdef WIN32 phyFillScreenColor(); #endif getstryng(outtreename); } FClose(*outtree); } if (*ch == 'R' || *ch == 'A' || *ch == 'F' || !waswritten){ openfile(outtree,outtreename,"output tree file", (*ch == 'A' && waswritten) ? "a" : "w", progname,outtreename); } } /* treeoptions */ void window(adjwindow action, long *leftedge, long *topedge, long hscroll, long vscroll, long treelines, long screenlines, long screenwidth, long farthest, boolean subtree) { /* move viewing window of tree */ switch (action) { case left: if (*leftedge != 1) *leftedge -= hscroll; break; case downn: /* The 'topedge + 6' is needed to allow downward scrolling when part of the tree is above the screen and only 1 or 2 lines are below it. */ if (treelines - *topedge + 6 >= screenlines) *topedge += vscroll; break; case upp: if (*topedge != 1) *topedge -= vscroll; break; case right: if ((farthest + 6 + nmlngth + ((subtree) ? 8 : 0)) > (*leftedge + screenwidth)) *leftedge += hscroll; break; } } /* window */ void pregraph(boolean ansi) { /* turn on graphic characters */ /* used in move & dolmove */ printf(ansi ? "\033(0" : ""); } /* pregraph */ void pregraph2(boolean ansi) { /* turn on graphic characters */ /* used in dnamove & retree */ if (ansi) { printf("\033(0"); printf("\033[10m"); } } /* pregraph2 */ void postgraph(boolean ansi) { /* turn off graphic characters */ /* used in move & dolmove */ printf(ansi ? "\033(B" : ""); } /* postgraph */ void postgraph2(boolean ansi) { /* turn off graphic characters */ /* used in dnamove & retree */ if (ansi) { printf("\033[11m"); printf("\033(B"); } } /* postgraph2 */ void nextinc(long *dispchar, long *dispword, long *dispbit, long chars, long bits, boolean *display, steptr numsteps, steptr weight) { /* show next incompatible character */ /* used in move & dolmove */ long disp0; boolean done; *display = true; disp0 = *dispchar; done = false; do { (*dispchar)++; if (*dispchar > chars) { *dispchar = 1; done = (disp0 == 0); } } while (!(numsteps[*dispchar - 1] > weight[*dispchar - 1] || *dispchar == disp0 || done)); *dispword = (*dispchar - 1) / bits + 1; *dispbit = (*dispchar - 1) % bits + 1; } /* nextinc */ void nextchar(long *dispchar, long *dispword, long *dispbit, long chars, long bits, boolean *display) { /* show next character */ /* used in move & dolmove */ *display = true; (*dispchar)++; if (*dispchar > chars) *dispchar = 1; *dispword = (*dispchar - 1) / bits + 1; *dispbit = (*dispchar - 1) % bits + 1; } /* nextchar */ void prevchar(long *dispchar, long *dispword, long *dispbit, long chars, long bits, boolean *display) { /* show previous character */ /* used in move & dolmove */ *display = true; (*dispchar)--; if (*dispchar < 1) *dispchar = chars; *dispword = (*dispchar - 1) / bits + 1; *dispbit = (*dispchar - 1) % bits + 1; } /* prevchar */ void show(long *dispchar, long *dispword, long *dispbit, long chars, long bits, boolean *display) { /* used in move & dolmove */ long i; boolean ok; do { printf("SHOW: (Character number or 0 to see none)? "); inpnum(&i, &ok); ok = (ok && (i == 0 || (i >= 1 && i <= chars))); if (ok && i != 0) { *display = true; *dispchar = i; *dispword = (i - 1) / bits + 1; *dispbit = (i - 1) % bits + 1; } if (ok && i == 0) *display = false; } while (!ok); } /* show */ ./arbsrc_9167/GDE/PHYLIP/moves.h0000644012664100000130000000176711213220011016037 0ustar arb_buildcoders /* moves.h: included in dnamove, move, dolmove, & retree */ typedef enum { left, downn, upp, right } adjwindow; #ifndef OLDC /* function prototypes */ void inpnum(long *, boolean *); void prereverse(boolean); void postreverse(boolean); void chwrite(Char, long, long *, long, long); void nnwrite(long, long, long *, long, long); void stwrite(const char *,long,long *,long,long); void help(const char *); void treeoptions(boolean, Char *, FILE **, Char *, Char *); void window(adjwindow, long *, long *, long, long, long, long, long, long, boolean); void pregraph(boolean); void pregraph2(boolean); void postgraph(boolean); void postgraph2(boolean); void nextinc(long *, long *, long *, long, long, boolean *, steptr, steptr); void nextchar(long *, long *, long *, long, long, boolean *); void prevchar(long *, long *, long *, long, long, boolean *); void show(long *, long *, long *, long, long, boolean *); /* function prototypes */ #endif ./arbsrc_9167/GDE/PHYLIP/neighbor.c0000644012664100000130000003554111213220011016473 0ustar arb_buildcoders #include "phylip.h" #include "dist.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Mary Kuhner, Jon Yamato, Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void getinput(void); void describe(node *, double); void summarize(void); void nodelabel(boolean); void jointree(void); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], outtreename[FNMLNGTH]; long nonodes2, outgrno, col, datasets, ith; long inseed; vector *x; intvector *reps; boolean jumble, lower, upper, outgropt, replicates, trout, printdata, progress, treeprint, mulsets, njoin; tree curtree; longer seed; long *enterorder; Char progname[20]; /* variables for maketree, propagated globally for C version: */ node **cluster; void getoptions() { /* interactively set options */ long inseed0 = 0, loopcount; Char ch; fprintf(outfile, "\nNeighbor-Joining/UPGMA method version %s\n\n",VERSION); putchar('\n'); jumble = false; lower = false; outgrno = 1; outgropt = false; replicates = false; trout = true; upper = false; printdata = false; progress = true; treeprint = true; njoin = true; loopcount = 0; for(;;) { cleerhome(); printf("\nNeighbor-Joining/UPGMA method version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" N Neighbor-joining or UPGMA tree? %s\n", (njoin ? "Neighbor-joining" : "UPGMA")); if (njoin) { printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at species number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); } printf(" L Lower-triangular data matrix? %s\n", (lower ? "Yes" : "No")); printf(" R Upper-triangular data matrix? %s\n", (upper ? "Yes" : "No")); printf(" S Subreplicates? %s\n", (replicates ? "Yes" : "No")); printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (random number seed =%8ld)\n", inseed0); else printf(" No. Use input order\n"); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf("\n\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("NJOULRSM01234",ch) != NULL){ switch (ch) { case 'J': jumble = !jumble; if (jumble) initseed(&inseed, &inseed0, seed); break; case 'L': lower = !lower; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); else outgrno = 1; break; case 'R': upper = !upper; break; case 'S': replicates = !replicates; break; case 'N': njoin = !njoin; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); jumble = true; if (jumble) initseed(&inseed, &inseed0, seed); break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void allocrest() { long i; x = (vector *)Malloc(spp*sizeof(vector)); for (i = 0; i < spp; i++) x[i] = (vector)Malloc(spp*sizeof(double)); reps = (intvector *)Malloc(spp*sizeof(intvector)); for (i = 0; i < spp; i++) reps[i] = (intvector)Malloc(spp*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); cluster = (node **)Malloc(spp*sizeof(node *)); } /* allocrest */ void doinit() { /* initializes variables */ node *p; inputnumbers2(&spp, &nonodes2, 2); nonodes2 += (njoin ? 0 : 1); getoptions(); alloctree(&curtree.nodep, nonodes2+1); p = curtree.nodep[nonodes2]->next->next; curtree.nodep[nonodes2]->next = curtree.nodep[nonodes2]; free(p); allocrest(); } /* doinit */ void inputoptions() { /* read options information */ if (ith != 1) samenumsp2(ith); putc('\n', outfile); if (njoin) fprintf(outfile, " Neighbor-joining method\n"); else fprintf(outfile, " UPGMA method\n"); fprintf(outfile, "\n Negative branch lengths allowed\n\n"); } /* inputoptions */ void describe(node *p, double height) { /* print out information for one branch */ long i; node *q; q = p->back; if (njoin) fprintf(outfile, "%4ld ", q->index - spp); else fprintf(outfile, "%4ld ", q->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index - 1][i], outfile); putc(' ', outfile); } else { if (njoin) fprintf(outfile, "%4ld ", p->index - spp); else { fprintf(outfile, "%4ld ", p->index - spp); } } if (njoin) fprintf(outfile, "%12.5f\n", q->v); else fprintf(outfile, "%10.5f %10.5f\n", q->v, q->v+height); if (!p->tip) { describe(p->next->back, height+q->v); describe(p->next->next->back, height+q->v); } } /* describe */ void summarize() { /* print out branch lengths etc. */ putc('\n', outfile); if (njoin) { fprintf(outfile, "remember:"); if (outgropt) fprintf(outfile, " (although rooted by outgroup)"); fprintf(outfile, " this is an unrooted tree!\n"); } if (njoin) { fprintf(outfile, "\nBetween And Length\n"); fprintf(outfile, "------- --- ------\n"); } else { fprintf(outfile, "From To Length Height\n"); fprintf(outfile, "---- -- ------ ------\n"); } describe(curtree.start->next->back, 0.0); describe(curtree.start->next->next->back, 0.0); if (njoin) describe(curtree.start->back, 0.0); fprintf(outfile, "\n\n"); } /* summarize */ void nodelabel(boolean isnode) { if (isnode) printf("node"); else printf("species"); } /* nodelabel */ void jointree() { /* calculate the tree */ long nc, nextnode, mini=0, minj=0, i, j, ia, ja, ii, jj, nude, iter; double fotu2, total, tmin, dio, djo, bi, bj, bk, dmin=0, da; long el[3]; vector av; intvector oc; double *R; /* added in revisions by Y. Ina */ R = (double *)Malloc(spp * sizeof(double)); for (i = 0; i <= spp - 2; i++) { for (j = i + 1; j < spp; j++) { da = (x[i][j] + x[j][i]) / 2.0; x[i][j] = da; x[j][i] = da; } } /* First initialization */ fotu2 = spp - 2.0; nextnode = spp + 1; av = (vector)Malloc(spp*sizeof(double)); oc = (intvector)Malloc(spp*sizeof(long)); for (i = 0; i < spp; i++) { av[i] = 0.0; oc[i] = 1; } /* Enter the main cycle */ if (njoin) iter = spp - 3; else iter = spp - 1; for (nc = 1; nc <= iter; nc++) { for (j = 2; j <= spp; j++) { for (i = 0; i <= j - 2; i++) x[j - 1][i] = x[i][j - 1]; } tmin = 99999.0; /* Compute sij and minimize */ if (njoin) { /* many revisions by Y. Ina from here ... */ for (i = 0; i < spp; i++) R[i] = 0.0; for (ja = 2; ja <= spp; ja++) { jj = enterorder[ja - 1]; if (cluster[jj - 1] != NULL) { for (ia = 0; ia <= ja - 2; ia++) { ii = enterorder[ia]; if (cluster[ii - 1] != NULL) { R[ii - 1] += x[ii - 1][jj - 1]; R[jj - 1] += x[ii - 1][jj - 1]; } } } } } /* ... to here */ for (ja = 2; ja <= spp; ja++) { jj = enterorder[ja - 1]; if (cluster[jj - 1] != NULL) { for (ia = 0; ia <= ja - 2; ia++) { ii = enterorder[ia]; if (cluster[ii - 1] != NULL) { if (njoin) { total = fotu2 * x[ii - 1][jj - 1] - R[ii - 1] - R[jj - 1]; /* this statement part of revisions by Y. Ina */ } else total = x[ii - 1][jj - 1]; if (total < tmin) { tmin = total; mini = ii; minj = jj; } } } } } /* compute lengths and print */ if (njoin) { dio = 0.0; djo = 0.0; for (i = 0; i < spp; i++) { dio += x[i][mini - 1]; djo += x[i][minj - 1]; } dmin = x[mini - 1][minj - 1]; dio = (dio - dmin) / fotu2; djo = (djo - dmin) / fotu2; bi = (dmin + dio - djo) * 0.5; bj = dmin - bi; bi -= av[mini - 1]; bj -= av[minj - 1]; } else { bi = x[mini - 1][minj - 1] / 2.0 - av[mini - 1]; bj = x[mini - 1][minj - 1] / 2.0 - av[minj - 1]; av[mini - 1] += bi; } if (progress) { printf("Cycle %3ld: ", iter - nc + 1); if (njoin) nodelabel((boolean)(av[mini - 1] > 0.0)); else nodelabel((boolean)(oc[mini - 1] > 1.0)); printf(" %ld (%10.5f) joins ", mini, bi); if (njoin) nodelabel((boolean)(av[minj - 1] > 0.0)); else nodelabel((boolean)(oc[minj - 1] > 1.0)); printf(" %ld (%10.5f)\n", minj, bj); #ifdef WIN32 phyFillScreenColor(); #endif } hookup(curtree.nodep[nextnode - 1]->next, cluster[mini - 1]); hookup(curtree.nodep[nextnode - 1]->next->next, cluster[minj - 1]); cluster[mini - 1]->v = bi; cluster[minj - 1]->v = bj; cluster[mini - 1]->back->v = bi; cluster[minj - 1]->back->v = bj; cluster[mini - 1] = curtree.nodep[nextnode - 1]; cluster[minj - 1] = NULL; nextnode++; if (njoin) av[mini - 1] = dmin * 0.5; /* re-initialization */ fotu2 -= 1.0; for (j = 0; j < spp; j++) { if (cluster[j] != NULL) { if (njoin) { da = (x[mini - 1][j] + x[minj - 1][j]) * 0.5; if (mini - j - 1 < 0) x[mini - 1][j] = da; if (mini - j - 1 > 0) x[j][mini - 1] = da; } else { da = x[mini - 1][j] * oc[mini - 1] + x[minj - 1][j] * oc[minj - 1]; da /= oc[mini - 1] + oc[minj - 1]; x[mini - 1][j] = da; x[j][mini - 1] = da; } } } for (j = 0; j < spp; j++) { x[minj - 1][j] = 0.0; x[j][minj - 1] = 0.0; } oc[mini - 1] += oc[minj - 1]; } /* the last cycle */ nude = 1; for (i = 1; i <= spp; i++) { if (cluster[i - 1] != NULL) { el[nude - 1] = i; nude++; } } if (!njoin) { curtree.start = cluster[el[0] - 1]; curtree.start->back = NULL; free(av); free(oc); return; } bi = (x[el[0] - 1][el[1] - 1] + x[el[0] - 1][el[2] - 1] - x[el[1] - 1] [el[2] - 1]) * 0.5; bj = x[el[0] - 1][el[1] - 1] - bi; bk = x[el[0] - 1][el[2] - 1] - bi; bi -= av[el[0] - 1]; bj -= av[el[1] - 1]; bk -= av[el[2] - 1]; if (progress) { printf("last cycle:\n"); putchar(' '); nodelabel((boolean)(av[el[0] - 1] > 0.0)); printf(" %ld (%10.5f) joins ", el[0], bi); nodelabel((boolean)(av[el[1] - 1] > 0.0)); printf(" %ld (%10.5f) joins ", el[1], bj); nodelabel((boolean)(av[el[2] - 1] > 0.0)); printf(" %ld (%10.5f)\n", el[2], bk); #ifdef WIN32 phyFillScreenColor(); #endif } hookup(curtree.nodep[nextnode - 1], cluster[el[0] - 1]); hookup(curtree.nodep[nextnode - 1]->next, cluster[el[1] - 1]); hookup(curtree.nodep[nextnode - 1]->next->next, cluster[el[2] - 1]); cluster[el[0] - 1]->v = bi; cluster[el[1] - 1]->v = bj; cluster[el[2] - 1]->v = bk; cluster[el[0] - 1]->back->v = bi; cluster[el[1] - 1]->back->v = bj; cluster[el[2] - 1]->back->v = bk; curtree.start = cluster[el[0] - 1]->back; free(av); free(oc); } /* jointree */ void maketree() { /* construct the tree */ long i ; inputdata(replicates, printdata, lower, upper, x, reps); if (njoin && (spp < 3)) { printf("\nERROR: Neighbor-Joining runs must have at least 3 species\n\n"); exxit(-1); } if (progress) putchar('\n'); if (ith == 1) setuptree(&curtree, nonodes2 + 1); for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); for (i = 0; i < spp; i++) cluster[i] = curtree.nodep[i]; jointree(); if (njoin) curtree.start = curtree.nodep[outgrno - 1]->back; printree(curtree.start, treeprint, njoin, (boolean)(!njoin)); if (treeprint) summarize(); if (trout) { col = 0; if (njoin) treeout(curtree.start, &col, 0.43429448222, njoin, curtree.start); else curtree.root = curtree.start, treeoutr(curtree.start,&col,&curtree); } if (progress) { printf("\nOutput written on file \"%s\"\n\n", outfilename); if (trout) printf("Tree written on file \"%s\"\n\n", outtreename); } } /* maketree */ int main(int argc, Char *argv[]) { /* main program */ #ifdef MAC argc = 1; /* macsetup("Neighbor",""); */ argv[0] = "Neighbor"; #endif init(argc, argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; datasets = 1; doinit(); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); ith = 1; while (ith <= datasets) { if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n",ith); if (progress) printf("Data set # %ld:\n",ith); } inputoptions(); maketree(); if (eoln(infile) && (ith < datasets)) scan_eoln(infile); ith++; } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } ./arbsrc_9167/GDE/PHYLIP/pars.c0000644012664100000130000013571211213220011015644 0ustar arb_buildcoders #include "phylip.h" #include "discrete.h" /* version 3.6 (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define MAXNUMTREES 1000000 /* bigger than number of user trees can be */ #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void makeweights(void); void doinput(void); void initparsnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void evaluate(node *); void tryadd(node *, node *, node *); void addpreorder(node *, node *, node *); void trydescendants(node *, node *, node *, node *, boolean); void trylocal(node *, node *); void trylocal2(node *, node *, node *); void tryrearr(node *p, boolean *); void repreorder(node *p, boolean *); void rearrange(node **); void describe(void); void pars_coordinates(node *, double, long *, double *); void pars_printree(void); void globrearrange(void); void grandrearr(void); void maketree(void); void freerest(void); void load_tree(long treei); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH]; node *root; long chars, col, msets, ith, njumble, jumb, maxtrees; /* chars = number of sites in actual sequences */ long inseed, inseed0; double threshold; boolean jumble, usertree, thresh, weights, thorough, rearrfirst, trout, progress, stepbox, ancseq, mulsets, justwts, firstset, mulf, multf; steptr oldweight; longer seed; pointarray treenode; /* pointers to all nodes in tree */ long *enterorder; Char progname[20]; long *zeros; unsigned char *zeros2; /* local variables for Pascal maketree, propagated globally for C version: */ long minwhich; double like, minsteps, bestyet, bestlike, bstlike2; boolean lastrearr, recompute; double nsteps[maxuser]; long **fsteps; node *there, *oldnufork; long *place; bestelm *bestrees; long *threshwt; discbaseptr nothing; gbases *garbage; node *temp, *temp1, *temp2, *tempsum, *temprm, *tempadd, *tempf, *tmp, *tmp1, *tmp2, *tmp3, *tmprm, *tmpadd; boolean *names; node *grbg; void getoptions() { /* interactively set options */ long inseed0, loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nDiscrete character parsimony algorithm, version %s\n\n", VERSION); jumble = false; njumble = 1; outgrno = 1; outgropt = false; thresh = false; thorough = true; rearrfirst = false; maxtrees = 100; trout = true; usertree = false; weights = false; mulsets = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; dotdiff = true; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nDiscrete character parsimony algorithm, version %s\n\n",VERSION); printf("Setting for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (!usertree) { printf(" S Search option? "); if (thorough) printf("More thorough search\n"); else if (rearrfirst) printf("Rearrange on one best tree\n"); else printf("Less thorough\n"); printf(" V Number of trees to save? %ld\n", maxtrees); printf(" J Randomize input order of species?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at species number %ld\n", outgrno); else printf(" No, use as outgroup species %ld\n", outgrno); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per site\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input species interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", progress ? "Yes" : "No"); printf(" 3 Print out tree %s\n", treeprint ? "Yes" : "No"); printf(" 4 Print out steps in each site %s\n", stepbox ? "Yes" : "No"); printf(" 5 Print character at all nodes of tree %s\n", ancseq ? "Yes" : "No"); if (ancseq || printdata) printf(" . Use dot-differencing to display them %s\n", dotdiff ? "Yes" : "No"); printf(" 6 Write out trees onto tree file? %s\n", trout ? "Yes" : "No"); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("WSVJOTUMI12345.60",ch) != NULL){ switch (ch) { case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'W': weights = !weights; break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'U': usertree = !usertree; break; case 'S': thorough = !thorough; if (!thorough) printf("Rearrange on just one best tree?"); loopcount2 = 0; do { printf(" (type Y or N)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'Y') && (ch2 != 'N')); rearrfirst = (ch2 == 'Y'); break; case 'V': loopcount2 = 0; do { printf("type the number of trees to save\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &maxtrees); if (maxtrees > MAXNUMTREES) maxtrees = MAXNUMTREES; getchar(); countup(&loopcount2, 10); } while (maxtrees < 1); break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '.': dotdiff = !dotdiff; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(chars*sizeof(Char)); convtab = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) convtab[i] = (Char *)Malloc(chars*sizeof(Char)); bestrees = (bestelm *)Malloc(maxtrees*sizeof(bestelm)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1].btree = (long *)Malloc(nonodes*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); place = (long *)Malloc(nonodes*sizeof(long)); weight = (long *)Malloc(chars*sizeof(long)); oldweight = (long *)Malloc(chars*sizeof(long)); alias = (long *)Malloc(chars*sizeof(long)); ally = (long *)Malloc(chars*sizeof(long)); location = (long *)Malloc(chars*sizeof(long)); } /* alocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n\n", spp, chars); alloctree(&treenode, nonodes, usertree); allocrest(); } /* doinit */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= chars; i++) { alias[i - 1] = i; oldweight[i - 1] = weight[i - 1]; ally[i - 1] = i; } sitesort(chars, weight); sitecombine(chars); sitescrunch(chars); endsite = 0; for (i = 1; i <= chars; i++) { if (ally[i - 1] == i) endsite++; } for (i = 1; i <= endsite; i++) location[alias[i - 1] - 1] = i; if (!thresh) threshold = spp; threshwt = (long *)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) { weight[i] *= 10; threshwt[i] = (long)(threshold * weight[i] + 0.5); } zeros = (long *)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) zeros[i] = 0; zeros2 = (unsigned char *)Malloc(endsite*sizeof(unsigned char)); for (i = 0; i < endsite; i++) zeros2[i] = 0; } /* makeweights */ void doinput() { /* reads the input data */ long i; if (justwts) { if (firstset) inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; inputweights(chars, weight, &weights); if (justwts) { fprintf(outfile, "\n\nWeights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } else { if (!firstset) samenumsp(&chars, ith); inputdata(chars); for (i = 0; i < chars; i++) weight[i] = 1; if (weights) { inputweights(chars, weight, &weights); if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } } makeweights(); makevalues(treenode, zeros, zeros2, usertree); if (!usertree) { allocdiscnode(&temp, zeros, zeros2, endsite); allocdiscnode(&temp1, zeros, zeros2, endsite); allocdiscnode(&temp2, zeros, zeros2, endsite); allocdiscnode(&tempsum, zeros, zeros2, endsite); allocdiscnode(&temprm, zeros, zeros2, endsite); allocdiscnode(&tempadd, zeros, zeros2, endsite); allocdiscnode(&tempf, zeros, zeros2, endsite); allocdiscnode(&tmp, zeros, zeros2, endsite); allocdiscnode(&tmp1, zeros, zeros2, endsite); allocdiscnode(&tmp2, zeros, zeros2, endsite); allocdiscnode(&tmp3, zeros, zeros2, endsite); allocdiscnode(&tmprm, zeros, zeros2, endsite); allocdiscnode(&tmpadd, zeros, zeros2, endsite); } } /* doinput */ void initparsnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ switch (whichinit) { case bottom: gnudisctreenode(grbg, p, nodei, endsite, zeros, zeros2); treenode[nodei - 1] = *p; break; case nonbottom: gnudisctreenode(grbg, p, nodei, endsite, zeros, zeros2); break; case tip: match_names_to_data (str, treenode, p, spp); break; default: /*cases hslength,hsnolength,treewt,unittrwt,iter,*/ break; /*length should never occur */ } } /* initparsnode */ void evaluate(node *r) { /* determines the number of steps needed for a tree. this is the minimum number of steps needed to evolve sequences on this tree */ long i, steps; long term; double sum; sum = 0.0; for (i = 0; i < endsite; i++) { steps = r->numsteps[i]; if ((long)steps <= threshwt[i]) term = steps; else term = threshwt[i]; sum += (double)term; if (usertree && which <= maxuser) fsteps[which - 1][i] = term; } if (usertree && which <= maxuser) { nsteps[which - 1] = sum; if (which == 1) { minwhich = 1; minsteps = sum; } else if (sum < minsteps) { minwhich = which; minsteps = sum; } } like = -sum; } /* evaluate */ void tryadd(node *p, node *item, node *nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ long pos; double belowsum, parentsum; boolean found, collapse, changethere, trysave; if (!p->tip) { memcpy(temp->discbase, p->discbase, endsite*sizeof(unsigned char)); memcpy(temp->numsteps, p->numsteps, endsite*sizeof(long)); memcpy(temp->discnumnuc, p->discnumnuc, endsite*sizeof(discnucarray)); temp->numdesc = p->numdesc + 1; if (p->back) { multifillin(temp, tempadd, 1); sumnsteps2(tempsum, temp, p->back, 0, endsite, threshwt); } else { multisumnsteps(temp, tempadd, 0, endsite, threshwt); tempsum->sumsteps = temp->sumsteps; } if (tempsum->sumsteps <= -bestyet) { if (p->back) sumnsteps2(tempsum, temp, p->back, endsite+1, endsite, threshwt); else { multisumnsteps(temp, temp1, endsite+1, endsite, threshwt); tempsum->sumsteps = temp->sumsteps; } } p->sumsteps = tempsum->sumsteps; } if (p == root) sumnsteps2(temp, item, p, 0, endsite, threshwt); else { sumnsteps(temp1, item, p, 0, endsite); sumnsteps2(temp, temp1, p->back, 0, endsite, threshwt); } if (temp->sumsteps <= -bestyet) { if (p == root) sumnsteps2(temp, item, p, endsite+1, endsite, threshwt); else { sumnsteps(temp1, item, p, endsite+1, endsite); sumnsteps2(temp, temp1, p->back, endsite+1, endsite, threshwt); } } belowsum = temp->sumsteps; multf = false; like = -belowsum; if (!p->tip && belowsum >= p->sumsteps) { multf = true; like = -p->sumsteps; } trysave = true; if (!multf && p != root) { parentsum = treenode[p->back->index - 1]->sumsteps; if (belowsum >= parentsum) trysave = false; } if (lastrearr) { changethere = true; if (like >= bstlike2 && trysave) { if (like > bstlike2) found = false; else { addnsave(p, item, nufork, &root, &grbg, multf, treenode, place, zeros, zeros2); pos = 0; findtree(&found, &pos, nextree, place, bestrees); } if (!found) { collapse = collapsible(item, p, temp, temp1, temp2, tempsum, temprm, tmpadd, multf, root, zeros, zeros2, treenode); if (!thorough) changethere = !collapse; if (thorough || !collapse || like > bstlike2) { if (like > bstlike2) { addnsave(p, item, nufork, &root, &grbg, multf, treenode, place, zeros, zeros2); bestlike = bstlike2 = like; addbestever(&pos, &nextree, maxtrees, collapse, place, bestrees); } else addtiedtree(pos, &nextree, maxtrees, collapse, place, bestrees); } } } if (like >= bestyet) { if (like > bstlike2) bstlike2 = like; if (changethere && trysave) { bestyet = like; there = p; mulf = multf; } } } else if ((like > bestyet) || (like >= bestyet && trysave)) { bestyet = like; there = p; mulf = multf; } } /* tryadd */ void addpreorder(node *p, node *item, node *nufork) { /* traverses a n-ary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ node *q; if (p == NULL) return; tryadd(p, item, nufork); if (!p->tip) { q = p->next; while (q != p) { addpreorder(q->back, item, nufork); q = q->next; } } } /* addpreorder */ void trydescendants(node *item, node *forknode, node *parent, node *parentback, boolean trybelow) { /* tries rearrangements at parent and below parent's descendants */ node *q, *tempblw; boolean bestever=0, belowbetter, multf=0, saved, trysave; double parentsum=0, belowsum; memcpy(temp->discbase, parent->discbase, endsite*sizeof(unsigned char)); memcpy(temp->numsteps, parent->numsteps, endsite*sizeof(long)); memcpy(temp->discnumnuc, parent->discnumnuc, endsite*sizeof(discnucarray)); temp->numdesc = parent->numdesc + 1; multifillin(temp, tempadd, 1); sumnsteps2(tempsum, parentback, temp, 0, endsite, threshwt); belowbetter = true; if (lastrearr) { parentsum = tempsum->sumsteps; if (-tempsum->sumsteps >= bstlike2) { belowbetter = false; bestever = false; multf = true; if (-tempsum->sumsteps > bstlike2) bestever = true; savelocrearr(item, forknode, parent, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = parent; mulf = true; } } } else if (-tempsum->sumsteps >= like) { there = parent; mulf = true; like = -tempsum->sumsteps; } if (trybelow) { sumnsteps(temp, parent, tempadd, 0, endsite); sumnsteps2(tempsum, temp, parentback, 0, endsite, threshwt); if (lastrearr) { belowsum = tempsum->sumsteps; if (-tempsum->sumsteps >= bstlike2 && belowbetter && (forknode->numdesc > 2 || (forknode->numdesc == 2 && parent->back->index != forknode->index))) { trysave = false; memcpy(temp->discbase, parentback->discbase, endsite*sizeof(unsigned char)); memcpy(temp->numsteps, parentback->numsteps, endsite*sizeof(long)); memcpy(temp->discnumnuc, parentback->discnumnuc, endsite*sizeof(discnucarray)); temp->numdesc = parentback->numdesc + 1; multifillin(temp, tempadd, 1); sumnsteps2(tempsum, parent, temp, 0, endsite, threshwt); if (-tempsum->sumsteps < bstlike2) { multf = false; bestever = false; trysave = true; } if (-belowsum > bstlike2) { multf = false; bestever = true; trysave = true; } if (trysave) { if (treenode[parent->index - 1] != parent) tempblw = parent->back; else tempblw = parent; savelocrearr(item, forknode, tempblw, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -belowsum; there = tempblw; mulf = false; } } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { if (treenode[parent->index - 1] != parent) tempblw = parent->back; else tempblw = parent; there = tempblw; mulf = false; } } } q = parent->next; while (q != parent) { if (q->back && q->back != item) { memcpy(temp1->discbase, q->discbase, endsite*sizeof(unsigned char)); memcpy(temp1->numsteps, q->numsteps, endsite*sizeof(long)); memcpy(temp1->discnumnuc, q->discnumnuc, endsite*sizeof(discnucarray)); temp1->numdesc = q->numdesc; multifillin(temp1, parentback, 0); if (lastrearr) belowbetter = (-parentsum < bstlike2); if (!q->back->tip) { memcpy(temp->discbase, q->back->discbase, endsite*sizeof(unsigned char)); memcpy(temp->numsteps, q->back->numsteps, endsite*sizeof(long)); memcpy(temp->discnumnuc, q->back->discnumnuc, endsite*sizeof(discnucarray)); temp->numdesc = q->back->numdesc + 1; multifillin(temp, tempadd, 1); sumnsteps2(tempsum, temp1, temp, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { belowbetter = false; bestever = false; multf = true; if (-tempsum->sumsteps > bstlike2) bestever = true; savelocrearr(item, forknode, q->back, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = q->back; mulf = true; } } } else if (-tempsum->sumsteps >= like) { like = -tempsum->sumsteps; there = q->back; mulf = true; } } sumnsteps(temp, q->back, tempadd, 0, endsite); sumnsteps2(tempsum, temp, temp1, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { trysave = false; multf = false; if (belowbetter) { bestever = false; trysave = true; } if (-tempsum->sumsteps > bstlike2) { bestever = true; trysave = true; } if (trysave) { if (treenode[q->back->index - 1] != q->back) tempblw = q; else tempblw = q->back; savelocrearr(item, forknode, tempblw, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = tempblw; mulf = false; } } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { if (treenode[q->back->index - 1] != q->back) tempblw = q; else tempblw = q->back; there = tempblw; mulf = false; } } } q = q->next; } } /* trydescendants */ void trylocal(node *item, node *forknode) { /* rearranges below forknode, below descendants of forknode when there are more than 2 descendants, then unroots the back of forknode and rearranges on its descendants */ node *q; boolean bestever, multf, saved; memcpy(temprm->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(temprm->numsteps, zeros, endsite*sizeof(long)); memcpy(temprm->olddiscbase, item->discbase, endsite*sizeof(unsigned char)); memcpy(temprm->oldnumsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempf->discbase, forknode->discbase, endsite*sizeof(unsigned char)); memcpy(tempf->numsteps, forknode->numsteps, endsite*sizeof(long)); memcpy(tempf->discnumnuc, forknode->discnumnuc, endsite*sizeof(discnucarray)); tempf->numdesc = forknode->numdesc - 1; multifillin(tempf, temprm, -1); if (!forknode->back) { sumnsteps2(tempsum, tempf, tempadd, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps > bstlike2) { bestever = true; multf = false; savelocrearr(item, forknode, forknode, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = forknode; mulf = false; } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = forknode; mulf = false; } } } else { sumnsteps(temp, tempf, tempadd, 0, endsite); sumnsteps2(tempsum, temp, forknode->back, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps > bstlike2) { bestever = true; multf = false; savelocrearr(item, forknode, forknode, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = forknode; mulf = false; } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = forknode; mulf = false; } } trydescendants(item, forknode, forknode->back, tempf, false); } q = forknode->next; while (q != forknode) { if (q->back != item) { memcpy(temp2->discbase, q->discbase, endsite*sizeof(unsigned char)); memcpy(temp2->numsteps, q->numsteps, endsite*sizeof(long)); memcpy(temp2->discnumnuc, q->discnumnuc, endsite*sizeof(discnucarray)); temp2->numdesc = q->numdesc - 1; multifillin(temp2, temprm, -1); if (!q->back->tip) { trydescendants(item, forknode, q->back, temp2, true); } else { sumnsteps(temp1, q->back, tempadd, 0, endsite); sumnsteps2(tempsum, temp1, temp2, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps > bstlike2) { multf = false; bestever = true; savelocrearr(item, forknode, q->back, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = q->back; mulf = false; } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = q->back; mulf = false; } } } } q = q->next; } } /* trylocal */ void trylocal2(node *item, node *forknode, node *other) { /* rearranges below forknode, below descendants of forknode when there are more than 2 descendants, then unroots the back of forknode and rearranges on its descendants. Used if forknode has binary descendants */ node *q; boolean bestever=0, multf, saved, belowbetter, trysave; memcpy(tempf->discbase, other->discbase, endsite*sizeof(unsigned char)); memcpy(tempf->numsteps, other->numsteps, endsite*sizeof(long)); memcpy(tempf->olddiscbase, forknode->discbase, endsite*sizeof(unsigned char)); memcpy(tempf->oldnumsteps, forknode->numsteps, endsite*sizeof(long)); tempf->numdesc = other->numdesc; if (forknode->back) trydescendants(item, forknode, forknode->back, tempf, false); if (!other->tip) { memcpy(temp->discbase, other->discbase, endsite*sizeof(unsigned char)); memcpy(temp->numsteps, other->numsteps, endsite*sizeof(long)); memcpy(temp->discnumnuc, other->discnumnuc, endsite*sizeof(discnucarray)); temp->numdesc = other->numdesc + 1; multifillin(temp, tempadd, 1); if (forknode->back) sumnsteps2(tempsum, forknode->back, temp, 0, endsite, threshwt); else sumnsteps2(tempsum, NULL, temp, 0, endsite, threshwt); belowbetter = true; if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { belowbetter = false; bestever = false; multf = true; if (-tempsum->sumsteps > bstlike2) bestever = true; savelocrearr(item, forknode, other, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = other; mulf = true; } } } else if (-tempsum->sumsteps >= like) { there = other; mulf = true; like = -tempsum->sumsteps; } if (forknode->back) { memcpy(temprm->discbase, forknode->back->discbase, endsite*sizeof(unsigned char)); memcpy(temprm->numsteps, forknode->back->numsteps, endsite*sizeof(long)); } else { memcpy(temprm->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(temprm->numsteps, zeros, endsite*sizeof(long)); } memcpy(temprm->olddiscbase, other->back->discbase, endsite*sizeof(unsigned char)); memcpy(temprm->oldnumsteps, other->back->numsteps, endsite*sizeof(long)); q = other->next; while (q != other) { memcpy(temp2->discbase, q->discbase, endsite*sizeof(unsigned char)); memcpy(temp2->numsteps, q->numsteps, endsite*sizeof(long)); memcpy(temp2->discnumnuc, q->discnumnuc, endsite*sizeof(discnucarray)); if (forknode->back) { temp2->numdesc = q->numdesc; multifillin(temp2, temprm, 0); } else { temp2->numdesc = q->numdesc - 1; multifillin(temp2, temprm, -1); } if (!q->back->tip) trydescendants(item, forknode, q->back, temp2, true); else { sumnsteps(temp1, q->back, tempadd, 0, endsite); sumnsteps2(tempsum, temp1, temp2, 0, endsite, threshwt); if (lastrearr) { if (-tempsum->sumsteps >= bstlike2) { trysave = false; multf = false; if (belowbetter) { bestever = false; trysave = true; } if (-tempsum->sumsteps > bstlike2) { bestever = true; trysave = true; } if (trysave) { savelocrearr(item, forknode, q->back, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, &root, maxtrees, &nextree, multf, bestever, &saved, place, bestrees, treenode, &grbg, zeros, zeros2); if (saved) { like = bstlike2 = -tempsum->sumsteps; there = q->back; mulf = false; } } } } else if (-tempsum->sumsteps > like) { like = -tempsum->sumsteps; if (-tempsum->sumsteps > bestyet) { there = q->back; mulf = false; } } } q = q->next; } } } /* trylocal2 */ void tryrearr(node *p, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success = TRUE and keeps the new tree. otherwise, restores the old tree */ node *forknode, *newfork, *other, *oldthere; double oldlike; boolean oldmulf; if (p->back == NULL) return; forknode = treenode[p->back->index - 1]; if (!forknode->back && forknode->numdesc <= 2 && alltips(forknode, p)) return; oldlike = bestyet; like = -10.0 * spp * chars; memcpy(tempadd->discbase, p->discbase, endsite*sizeof(unsigned char)); memcpy(tempadd->numsteps, p->numsteps, endsite*sizeof(long)); memcpy(tempadd->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(tempadd->oldnumsteps, zeros, endsite*sizeof(long)); if (forknode->numdesc > 2) { oldthere = there = forknode; oldmulf = mulf = true; trylocal(p, forknode); } else { findbelow(&other, p, forknode); oldthere = there = other; oldmulf = mulf = false; trylocal2(p, forknode, other); } if ((like <= oldlike) || (there == oldthere && mulf == oldmulf)) return; recompute = true; re_move(p, &forknode, &root, recompute, treenode, &grbg, zeros, zeros2); if (mulf) add(there, p, NULL, &root, recompute, treenode, &grbg, zeros, zeros2); else { if (forknode->numdesc > 0) getnufork(&newfork, &grbg, treenode, zeros, zeros2); else newfork = forknode; add(there, p, newfork, &root, recompute, treenode, &grbg, zeros, zeros2); } if (like > oldlike) { *success = true; bestyet = like; } } /* tryrearr */ void repreorder(node *p, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ node *q, *this; if (p == NULL) return; if (!p->visited) { tryrearr(p, success); p->visited = true; } if (!p->tip) { q = p; while (q->next != p) { this = q->next->back; repreorder(q->next->back,success); if (q->next->back == this) q = q->next; } } } /* repreorder */ void rearrange(node **r) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ boolean success=true; while (success) { success = false; clearvisited(treenode); repreorder(*r, &success); } } /* rearrange */ void describe() { /* prints ancestors, steps and table of numbers of steps in each site */ if (treeprint) { fprintf(outfile, "\nrequires a total of %10.3f\n", like / -10.0); fprintf(outfile, "\n between and length\n"); fprintf(outfile, " ------- --- ------\n"); printbranchlengths(root); } if (stepbox) writesteps(chars, weights, oldweight, root); if (ancseq) { hypstates(chars, root, treenode, &garbage); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout3(root, nextree, &col, root); } } /* describe */ void pars_coordinates(node *p, double lengthsum, long *tipy, double *tipmax) { /* establishes coordinates of nodes */ node *q, *first, *last; double xx; if (p == NULL) return; if (p->tip) { p->xcoord = (long)(over * lengthsum + 0.5); p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; return; } q = p->next; do { xx = q->v; if (xx > 100.0) xx = 100.0; pars_coordinates(q->back, lengthsum + xx, tipy,tipmax); q = q->next; } while (p != q); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (long)(over * lengthsum + 0.5); if ((p == root) || count_sibs(p) > 2) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* pars_coordinates */ void pars_printree() { /* prints out diagram of the tree2 */ long tipy; double scale, tipmax; long i; if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; pars_coordinates(root, 0.0, &tipy, &tipmax); scale = 1.0 / (long)(tipmax + 1.000); for (i = 1; i <= (tipy - down); i++) drawline3(i, scale, root); putc('\n', outfile); } /* pars_printree */ void globrearrange() { /* does global rearrangements */ long j; double gotlike; boolean frommulti; node *item, *nufork; recompute = true; do { printf(" "); gotlike = bestlike; for (j = 0; j < nonodes; j++) { bestyet = -10.0 * spp * chars; if (j < spp) item = treenode[enterorder[j] -1]; else item = treenode[j]; if ((item != root) && ((j < spp) || ((j >= spp) && (item->numdesc > 0))) && !((item->back->index == root->index) && (root->numdesc == 2) && alltips(root, item))) { re_move(item, &nufork, &root, recompute, treenode, &grbg, zeros, zeros2); frommulti = (nufork->numdesc > 0); clearcollapse(treenode); there = root; memcpy(tempadd->discbase, item->discbase, endsite*sizeof(unsigned char)); memcpy(tempadd->numsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempadd->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(tempadd->oldnumsteps, zeros, endsite*sizeof(long)); if (frommulti){ oldnufork = nufork; getnufork(&nufork, &grbg, treenode, zeros, zeros2); } addpreorder(root, item, nufork); if (frommulti) oldnufork = NULL; if (!mulf) add(there, item, nufork, &root, recompute, treenode, &grbg, zeros, zeros2); else add(there, item, NULL, &root, recompute, treenode, &grbg, zeros, zeros2); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) putchar('\n'); } while (bestlike > gotlike); } /* globrearrange */ void load_tree(long treei) { /* restores a tree from bestrees */ long j, nextnode; boolean recompute = false; node *dummy; for (j = spp - 1; j >= 1; j--) re_move(treenode[j], &dummy, &root, recompute, treenode, &grbg, zeros, zeros2); root = treenode[0]; recompute = true; add(treenode[0], treenode[1], treenode[spp], &root, recompute, treenode, &grbg, zeros, zeros2); nextnode = spp + 2; for (j = 3; j <= spp; j++) { if (bestrees[treei].btree[j - 1] > 0) add(treenode[bestrees[treei].btree[j - 1] - 1], treenode[j - 1], treenode[nextnode++ - 1], &root, recompute, treenode, &grbg, zeros, zeros2); else add(treenode[treenode[-bestrees[treei].btree[j-1]-1]->back->index-1], treenode[j - 1], NULL, &root, recompute, treenode, &grbg, zeros, zeros2); } } void grandrearr() { /* calls either global rearrangement or local rearrangement on best trees */ long treei; boolean done; done = false; do { treei = findunrearranged(bestrees, nextree, true); if (treei < 0) done = true; else bestrees[treei].gloreange = true; if (!done) { load_tree(treei); globrearrange(); done = rearrfirst; } } while (!done); } /* grandrearr */ void maketree() { /* constructs a binary tree from the pointers in treenode. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, numtrees, nextnode; boolean done, firsttree, goteof, haslengths; node *item, *nufork, *dummy; pointarray nodep; if (!usertree) { for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); recompute = true; root = treenode[enterorder[0] - 1]; add(treenode[enterorder[0] - 1], treenode[enterorder[1] - 1], treenode[spp], &root, recompute, treenode, &grbg, zeros, zeros2); if (progress) { printf("Adding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = false; oldnufork = NULL; for (i = 3; i <= spp; i++) { bestyet = -10.0 * spp * chars; item = treenode[enterorder[i - 1] - 1]; getnufork(&nufork, &grbg, treenode, zeros, zeros2); there = root; memcpy(tempadd->discbase, item->discbase, endsite*sizeof(unsigned char)); memcpy(tempadd->numsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempadd->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(tempadd->oldnumsteps, zeros, endsite*sizeof(long)); addpreorder(root, item, nufork); if (!mulf) add(there, item, nufork, &root, recompute, treenode, &grbg, zeros, zeros2); else add(there, item, NULL, &root, recompute, treenode, &grbg, zeros, zeros2); like = bestyet; rearrange(&root); if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastrearr = (i == spp); if (lastrearr) { bestlike = bestyet; if (jumb == 1) { bstlike2 = bestlike; nextree = 1; initbestrees(bestrees, maxtrees, true); initbestrees(bestrees, maxtrees, false); } if (progress) { printf("\nDoing global rearrangements"); if (rearrfirst) printf(" on the first of the trees tied for best\n"); else printf(" on all trees tied for best\n"); printf(" !"); for (j = 1; j <= nonodes; j++) putchar('-'); printf("!\n"); #ifdef WIN32 phyFillScreenColor(); #endif } globrearrange(); rearrange(&root); } } done = false; while (!done && findunrearranged(bestrees, nextree, true) >= 0) { grandrearr(); done = rearrfirst; } if (progress) { putchar('\n'); #ifdef WIN32 phyFillScreenColor(); #endif } recompute = false; for (i = spp - 1; i >= 1; i--) re_move(treenode[i], &dummy, &root, recompute, treenode, &grbg, zeros, zeros2); if (jumb == njumble) { if (thorough && (nextree > 2)) reducebestrees(bestrees, &nextree); if (treeprint) { putc('\n', outfile); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first %4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i <= (nextree - 2); i++) { root = treenode[0]; add(treenode[0], treenode[1], treenode[spp], &root, recompute, treenode, &grbg, zeros, zeros2); nextnode = spp + 2; for (j = 3; j <= spp; j++) { if (bestrees[i].btree[j - 1] > 0) add(treenode[bestrees[i].btree[j - 1] - 1], treenode[j - 1], treenode[nextnode++ - 1], &root, recompute, treenode, &grbg, zeros, zeros2); else add(treenode[treenode[-bestrees[i].btree[j - 1]-1]->back->index-1], treenode[j - 1], NULL, &root, recompute, treenode, &grbg, zeros, zeros2); } reroot(treenode[outgrno - 1], root); postorder(root); evaluate(root); treelength(root, chars, treenode); pars_printree(); describe(); for (j = 1; j < spp; j++) re_move(treenode[j], &dummy, &root, recompute, treenode, &grbg, zeros, zeros2); } } } else { openfile(&intree,INTREE,"input tree", "r",progname,intreename); fscanf(intree, "%ld%*[^\n]", &numtrees); getc(intree); if (numtrees > MAXNUMTREES) { printf( "\n\nERROR: number of input trees is read incorrectly from %s\n\n", intreename); exxit(-1); } if (numtrees > 2) initseed(&inseed, &inseed0, seed); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n"); } fsteps = (long **)Malloc(maxuser*sizeof(long *)); for (j = 1; j <= maxuser; j++) fsteps[j - 1] = (long *)Malloc(endsite*sizeof(long)); nodep = NULL; which = 1; while (which <= numtrees) { firsttree = true; nextnode = 0; haslengths = true; treeread(intree, &root, treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initparsnode); if (treeprint) fprintf(outfile, "\n\n"); if (outgropt) reroot(treenode[outgrno - 1], root); postorder(root); evaluate(root); treelength(root, chars, treenode); pars_printree(); describe(); if (which < numtrees) gdispose(root, &grbg, treenode); which++; } FClose(intree); putc('\n', outfile); if (numtrees > 1 && chars > 1 ) standev(chars, numtrees, minwhich, minsteps, nsteps, fsteps, seed); for (j = 1; j <= maxuser; j++) free(fsteps[j - 1]); free(fsteps); } if (jumb == njumble) { if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) { printf("Tree"); if (numtrees > 1) printf("s"); printf(" also written onto file \"%s\"\n\n", outtreename); } } } } /* maketree */ void freerest() { if (!usertree) { freenode(&temp); freenode(&temp1); freenode(&temp2); freenode(&tempsum); freenode(&temprm); freenode(&tempadd); freenode(&tempf); freenode(&tmp); freenode(&tmp1); freenode(&tmp2); freenode(&tmp3); freenode(&tmprm); freenode(&tmpadd); } freegrbg(&grbg); if (ancseq) freegarbage(&garbage); free(threshwt); free(zeros); free(zeros2); freenodes(nonodes, treenode); } /* freerest*/ int main(int argc, Char *argv[]) { /* Discrete character parsimony by uphill search */ /* reads in spp, chars, and the data. Then calls maketree to construct the tree */ #ifdef MAC argc = 1; /* macsetup("Pars",""); */ argv[0]="Pars"; #endif init(argc, argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; msets = 1; firstset = true; garbage = NULL; grbg = NULL; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); for (ith = 1; ith <= msets; ith++) { if (msets > 1 && !justwts) { fprintf(outfile, "\nData set # %ld:\n\n", ith); if (progress) printf("\nData set # %ld:\n\n", ith); } doinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); freerest(); } /* freetree(nonodes, treenode); debug */ FClose(infile); FClose(outfile); if (weights || justwts) FClose(weightfile); if (trout) FClose(outtree); if (usertree) FClose(intree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif if (progress) printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Discrete character parsimony by uphill search */ ./arbsrc_9167/GDE/PHYLIP/penny.c0000644012664100000130000005537011213220011016031 0ustar arb_buildcoders #include "phylip.h" #include "disc.h" #include "wagner.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of trees to be printed out */ #define often 100 /* how often to notify how many trees examined */ #define many 1000 /* how many multiples of howoften before stop */ typedef long *treenumbers; typedef double *valptr; typedef long *placeptr; #ifndef OLDC /* function prototypes */ void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void doinput(void); void supplement(bitptr); void evaluate(node2 *); void addtraverse(node2 *,node2 *,node2 *,long *,long *,valptr,placeptr); void addit(long); void reroot(node2 *); void describe(void); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH], ancfilename[FNMLNGTH], mixfilename[FNMLNGTH]; node2 *root; long outgrno, rno, howmany, howoften, col, msets, ith; /* outgrno indicates outgroup */ boolean weights, thresh, ancvar, questions, allsokal, allwagner, mixture, simple, trout, noroot, didreroot, outgropt, progress, treeprint, stepbox, ancseq, mulsets, firstset; boolean *ancone, *anczero, *ancone0, *anczero0, justwts; pointptr2 treenode; /* pointers to all nodes in tree */ double fracdone, fracinc; double threshold; double *threshwt; bitptr wagner, wagner0; boolean *added; Char *guess; steptr numsteps; long **bestorders, **bestrees; steptr numsone, numszero; gbit *garbage; long examined, mults; boolean firsttime, done, full; double like, bestyet; treenumbers current, order; long fullset; bitptr zeroanc, oneanc; bitptr suppsteps; void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nPenny algorithm, version %s\n",VERSION); fprintf(outfile, " branch-and-bound to find all"); fprintf(outfile, " most parsimonious trees\n\n"); howoften = often; howmany = many; outgrno = 1; outgropt = false; simple = true; thresh = false; threshold = spp; trout = true; weights = false; justwts = false; ancvar = false; allsokal = false; allwagner = true; mixture = false; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; loopcount = 0; for(;;) { cleerhome(); printf("\nPenny algorithm, version %s\n",VERSION); printf(" branch-and-bound to find all most parsimonious trees\n\n"); printf("Settings for this run:\n"); printf(" X Use Mixed method? %s\n", mixture ? "Yes" : "No"); printf(" P Parsimony method? %s\n", (allwagner && !mixture) ? "Wagner" : (!(allwagner || mixture)) ? "Camin-Sokal" : "(methods in mixture)"); printf(" F How often to report, in trees:%5ld\n",howoften); printf(" H How many groups of%5ld trees:%6ld\n",howoften,howmany); printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at species number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" S Branch and bound is simple? %s\n", simple ? "Yes" : "No. reconsiders order of species"); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per char.\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" A Use ancestral states in input file? %s\n", ancvar ? "Yes" : "No"); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", printdata ? "Yes" : "No"); printf(" 2 Print indications of progress of run %s\n", progress ? "Yes" : "No"); printf(" 3 Print out tree %s\n", treeprint ? "Yes" : "No"); printf(" 4 Print out steps in each character %s\n", stepbox ? "Yes" : "No"); printf(" 5 Print states at all nodes of tree %s\n", ancseq ? "Yes" : "No"); printf(" 6 Write out trees onto tree file? %s\n", trout ? "Yes" : "No"); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf("\nAre these settings correct?"); printf(" (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if (strchr("WHFSOMPATX1234560",ch) != NULL){ switch (ch) { case 'X': mixture = !mixture; break; case 'P': allwagner = !allwagner; break; case 'A': ancvar = !ancvar; break; case 'H': inithowmany(&howmany, howoften); break; case 'F': inithowoften(&howoften); break; case 'S': simple = !simple; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); else outgrno = 1; break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'W': weights = !weights; break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); } break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } allsokal = (!allwagner && !mixture); } /* getoptions */ void allocrest() { long i; weight = (steptr)Malloc(chars*sizeof(steptr)); threshwt = (double *)Malloc(chars*sizeof(double)); bestorders = (long **)Malloc(maxtrees*sizeof(long *)); bestrees = (long **)Malloc(maxtrees*sizeof(long *)); for (i = 1; i <= maxtrees; i++) { bestorders[i - 1] = (long *)Malloc(spp*sizeof(long)); bestrees[i - 1] = (long *)Malloc(spp*sizeof(long)); } numsteps = (steptr)Malloc(chars*sizeof(steptr)); guess = (Char *)Malloc(chars*sizeof(Char)); numszero = (steptr)Malloc(chars*sizeof(steptr)); numsone = (steptr)Malloc(chars*sizeof(steptr)); current = (treenumbers)Malloc(spp*sizeof(long)); order = (treenumbers)Malloc(spp*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); added = (boolean *)Malloc(nonodes*sizeof(boolean)); ancone = (boolean *)Malloc(chars*sizeof(boolean)); anczero = (boolean *)Malloc(chars*sizeof(boolean)); ancone0 = (boolean *)Malloc(chars*sizeof(boolean)); anczero0 = (boolean *)Malloc(chars*sizeof(boolean)); wagner = (bitptr)Malloc(words*sizeof(long)); wagner0 = (bitptr)Malloc(words*sizeof(long)); zeroanc = (bitptr)Malloc(words*sizeof(long)); oneanc = (bitptr)Malloc(words*sizeof(long)); suppsteps = (bitptr)Malloc(words*sizeof(long)); extras = (steptr)Malloc(chars*sizeof(steptr)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); words = chars / bits + 1; getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld characters\n", spp, chars); alloctree2(&treenode); setuptree2(treenode); allocrest(); } /* doinit */ void inputoptions() { /* input the information on the options */ long i; if(justwts){ if(firstset){ scan_eoln(infile); if (ancvar) { inputancestorsnew(anczero0, ancone0); } if (mixture) { inputmixturenew(wagner0); } } for (i = 0; i < (chars); i++) weight[i] = 1; inputweights(chars, weight, &weights); for (i = 0; i < (words); i++) { if (mixture) wagner[i] = wagner0[i]; else if (allsokal) wagner[i] = 0; else wagner[i] = (1L << (bits + 1)) - (1L << 1); } } else { if (!firstset) { samenumsp(&chars, ith); } scan_eoln(infile); for (i = 0; i < (chars); i++) weight[i] = 1; if (ancvar) { inputancestorsnew(anczero0, ancone0); } if (mixture) { inputmixturenew(wagner0); } if (weights) inputweights(chars, weight, &weights); for (i = 0; i < (words); i++) { if (mixture) wagner[i] = wagner0[i]; else if (allsokal) wagner[i] = 0; else wagner[i] = (1L << (bits + 1)) - (1L << 1); } } for (i = 0; i < (chars); i++) { if (!ancvar) { anczero[i] = true; ancone[i] = (((1L << (i % bits + 1)) & wagner[i / bits]) != 0); } else { anczero[i] = anczero0[i]; ancone[i] = ancone0[i]; } } noroot = true; questions = false; for (i = 0; i < (chars); i++) { if (weight[i] > 0) { noroot = (noroot && ancone[i] && anczero[i] && ((((1L << (i % bits + 1)) & wagner[i / bits]) != 0) || threshold <= 2.0)); } questions = (questions || (ancone[i] && anczero[i])); threshwt[i] = threshold * weight[i]; } } /* inputoptions */ void doinput() { /* reads the input data */ inputoptions(); if(!justwts || firstset) inputdata2(treenode); } /* doinput */ void supplement(bitptr suppsteps) { /* determine minimum number of steps more which will be added when rest of species are put in tree */ long i, j, k, l; long defone, defzero, a; k = 0; for (i = 0; i < (words); i++) { defone = 0; defzero = 0; a = 0; for (l = 1; l <= bits; l++) { k++; if (k <= chars) { if (!ancone[k - 1]) defzero = ((long)defzero) | (1L << l); if (!anczero[k - 1]) defone = ((long)defone) | (1L << l); } } for (j = 0; j < (spp); j++) { defone |= treenode[j]->empstte1[i] & (~treenode[j]->empstte0[i]); defzero |= treenode[j]->empstte0[i] & (~treenode[j]->empstte1[i]); if (added[j]) a |= defone & defzero; } suppsteps[i] = defone & defzero & (~a); } } /* supplement */ void evaluate(node2 *r) { /* Determines the number of steps needed for a tree. This is the minimum number needed to evolve chars on this tree */ long i, stepnum, smaller; double sum; sum = 0.0; for (i = 0; i < (chars); i++) { numszero[i] = 0; numsone[i] = 0; } supplement(suppsteps); for (i = 0; i < (words); i++) zeroanc[i] =fullset; full = true; postorder(r, fullset, full, wagner, zeroanc); cpostorder(r, full, zeroanc, numszero, numsone); count(r->fulstte1, zeroanc, numszero, numsone); count(suppsteps, zeroanc, numszero, numsone); for (i = 0; i < (words); i++) zeroanc[i] = 0; full = false; postorder(r, fullset, full, wagner, zeroanc); cpostorder(r, full, zeroanc, numszero, numsone); count(r->empstte0, zeroanc, numszero, numsone); count(suppsteps, zeroanc, numszero, numsone); for (i = 0; i < (chars); i++) { smaller = spp * weight[i]; numsteps[i] = smaller; if (anczero[i]) { numsteps[i] = numszero[i]; smaller = numszero[i]; } if (ancone[i] && numsone[i] < smaller) numsteps[i] = numsone[i]; stepnum = numsteps[i] + extras[i]; if (stepnum <= threshwt[i]) sum += stepnum; else sum += threshwt[i]; guess[i] = '?'; if (!ancone[i] || (anczero[i] && numszero[i] < numsone[i])) guess[i] = '0'; else if (!anczero[i] || (ancone[i] && numsone[i] < numszero[i])) guess[i] = '1'; } if (examined == 0 && mults == 0) bestyet = -1.0; like = sum; } /* evaluate */ void addtraverse(node2 *a, node2 *b, node2 *c, long *m, long *n, valptr valyew, placeptr place) { /* traverse all places to add b */ if (done) return; if ((*m) <= 2 || !(noroot && (a == root || a == root->next->back))) { add3(a, b, c, &root, treenode); (*n)++; evaluate(root); examined++; if (examined == howoften) { examined = 0; mults++; if (mults == howmany) done = true; if (progress) { printf("%6ld", mults); if (bestyet >= 0) printf("%18.5f", bestyet); else printf(" - "); printf("%17ld%20.2f\n", nextree - 1, fracdone * 100); #ifdef WIN32 phyFillScreenColor(); #endif } } valyew[(*n) - 1] = like; place[(*n) - 1] = a->index; re_move3(&b, &c, &root, treenode); } if (!a->tip) { addtraverse(a->next->back, b, c, m,n,valyew,place); addtraverse(a->next->next->back, b, c, m,n,valyew,place); } } /* addtraverse */ void addit(long m) { /* adds the species one by one, recursively */ long n; valptr valyew; placeptr place; long i, j, n1, besttoadd = 0; valptr bestval; placeptr bestplace; double oldfrac, oldfdone, sum, bestsum; valyew = (valptr)Malloc(nonodes*sizeof(double)); bestval = (valptr)Malloc(nonodes*sizeof(double)); place = (placeptr)Malloc(nonodes*sizeof(long)); bestplace = (placeptr)Malloc(nonodes*sizeof(long)); if (simple && !firsttime) { n = 0; added[order[m - 1] - 1] = true; addtraverse(root, treenode[order[m - 1] - 1], treenode[spp + m - 2], &m,&n,valyew,place); besttoadd = order[m - 1]; memcpy(bestplace, place, nonodes*sizeof(long)); memcpy(bestval, valyew, nonodes*sizeof(double)); } else { bestsum = -1.0; for (i = 1; i <= (spp); i++) { if (!added[i - 1]) { n = 0; added[i - 1] = true; addtraverse(root, treenode[i - 1], treenode[spp + m - 2], &m, &n,valyew,place); added[i - 1] = false; sum = 0.0; for (j = 0; j < (n); j++) sum += valyew[j]; if (sum > bestsum) { bestsum = sum; besttoadd = i; memcpy(bestplace, place, nonodes*sizeof(long)); memcpy(bestval, valyew, nonodes*sizeof(double)); } } } } order[m - 1] = besttoadd; memcpy(place, bestplace, nonodes*sizeof(long)); memcpy(valyew, bestval, nonodes*sizeof(double)); shellsort(valyew, place, n); oldfrac = fracinc; oldfdone = fracdone; n1 = 0; for (i = 0; i < (n); i++) { if (valyew[i] <= bestyet || bestyet < 0.0) n1++; } if (n1 > 0) fracinc /= n1; for (i = 0; i < (n); i++) { if (valyew[i] <= bestyet || bestyet < 0.0) { current[m - 1] = place[i]; add3(treenode[place[i] - 1], treenode[besttoadd - 1], treenode[spp + m - 2], &root, treenode); added[besttoadd - 1] = true; if (m < spp) addit(m + 1); else { if (valyew[i] < bestyet || bestyet < 0.0) { nextree = 1; bestyet = valyew[i]; } if (nextree <= maxtrees) { memcpy(bestorders[nextree - 1], order, spp*sizeof(long)); memcpy(bestrees[nextree - 1], current, spp*sizeof(long)); } nextree++; firsttime = false; } re_move3(&treenode[besttoadd - 1], &treenode[spp + m - 2], &root, treenode); added[besttoadd - 1] = false; } fracdone += fracinc; } fracinc = oldfrac; fracdone = oldfdone; free(valyew); free(bestval); free(place); free(bestplace); } /* addit */ void reroot(node2 *outgroup) { /* reorients tree, putting outgroup in desired position. */ node2 *p, *q, *newbottom, *oldbottom; if (outgroup->back->index == root->index) return; newbottom = outgroup->back; p = treenode[newbottom->index - 1]->back; while (p->index != root->index) { oldbottom = treenode[p->index - 1]; treenode[p->index - 1] = p; p = oldbottom->back; } p = root->next; q = root->next->next; p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; outgroup->back->back = root->next->next; outgroup->back = root->next; treenode[newbottom->index - 1] = newbottom; } /* reroot */ void describe() { /* prints ancestors, steps and table of numbers of steps in each character */ if (stepbox) { putc('\n', outfile); writesteps(weights, numsteps); } if (questions && (!noroot || didreroot)) guesstates(guess); if (ancseq) { hypstates(fullset, full, noroot, didreroot, root, wagner, zeroanc, oneanc, treenode, guess, garbage); putc('\n', outfile); } if (trout) { col = 0; treeout2(root, &col, root); } } /* describe */ void maketree() { /* tree construction recursively by branch and bound */ long i, j, k; node2 *dummy; fullset = (1L << (bits + 1)) - (1L << 1); if (progress) { printf("\nHow many\n"); printf("trees looked Approximate\n"); printf("at so far Length of How many percentage\n"); printf("(multiples shortest tree trees this long searched\n"); printf("of %4ld): found so far found so far so far\n", howoften); printf("---------- ------------ ------------ ------------\n"); #ifdef WIN32 phyFillScreenColor(); #endif } done = false; mults = 0; examined = 0; nextree = 1; root = treenode[0]; firsttime = true; for (i = 0; i < (spp); i++) added[i] = false; added[0] = true; order[0] = 1; k = 2; fracdone = 0.0; fracinc = 1.0; bestyet = -1.0; addit(k); if (done) { if (progress) { printf("Search broken off! Not guaranteed to\n"); printf(" have found the most parsimonious trees.\n"); } if (treeprint) { fprintf(outfile, "Search broken off! Not guaranteed to\n"); fprintf(outfile, " have found the most parsimonious\n"); fprintf(outfile, " trees, but here is what we found:\n"); } } if (treeprint) { fprintf(outfile, "\nrequires a total of %18.3f\n\n", bestyet); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%5ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); for (i = 0; i < (spp); i++) added[i] = true; for (i = 0; i <= (nextree - 2); i++) { for (j = k; j <= (spp); j++) add3(treenode[bestrees[i][j - 1] - 1], treenode[bestorders[i][j - 1] - 1], treenode[spp + j - 2], &root, treenode); if (noroot) reroot(treenode[outgrno - 1]); didreroot = (outgropt && noroot); evaluate(root); printree(treeprint, noroot, didreroot, root); describe(); for (j = k - 1; j < (spp); j++) re_move3(&treenode[bestorders[i][j] - 1], &dummy, &root, treenode); } if (progress) { printf("\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n\n", outtreename); } if (ancseq) freegarbage(&garbage); } /* maketree */ int main(int argc, Char *argv[]) { /* Penny's branch-and-bound method */ /* Reads in the number of species, number of characters, options and data. Then finds all most parsimonious trees */ #ifdef MAC argc = 1; /* macsetup("Penny",""); */ argv[0] = "Penny"; #endif init(argc,argv); openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; msets = 1; firstset = true; garbage = NULL; bits = 8*sizeof(long) - 1; doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); if(ancvar) openfile(&ancfile,ANCFILE,"ancestors file", "r",argv[0],ancfilename); if(mixture) openfile(&mixfile,MIXFILE,"mixture file", "r",argv[0],mixfilename); for (ith = 1; ith <= msets; ith++) { if(firstset){ if (allsokal && !mixture) fprintf(outfile, "Camin-Sokal parsimony method\n\n"); if (allwagner && !mixture) fprintf(outfile, "Wagner parsimony method\n\n"); } doinput(); if (msets > 1 && !justwts) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } if (justwts){ if(firstset && mixture && printdata) printmixture(outfile, wagner); fprintf(outfile, "Weights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } else if (mixture && printdata) printmixture(outfile, wagner); if (printdata){ if (weights || justwts) printweights(outfile, 0, chars, weight, "Characters"); if (ancvar) printancestors(outfile, anczero, ancone); } if (ith == 1) firstset = false; maketree(); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Penny's branch-and-bound method */ ./arbsrc_9167/GDE/PHYLIP/phylip.c0000644012664100000130000020363511213220011016204 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, Andrew Keeffe, and Dan Fineman. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #include #include #ifdef WIN32 #include /* for console code (clear screen, text color settings) */ CONSOLE_SCREEN_BUFFER_INFO savecsbi; HANDLE hConsoleOutput; void phyClearScreen(); void phySaveConsoleAttributes(); void phySetConsoleAttributes(); void phyRestoreConsoleAttributes(); void phyFillScreenColor(); #endif #include "phylip.h" #ifndef OLDC static void crash_handler(int signum); #endif FILE *infile, *outfile, *intree, *intree2, *outtree, *weightfile, *catfile, *ancfile, *mixfile, *factfile; long spp, words, bits; boolean ibmpc, ansi, tranvsp; naym *nayme; /* names of species */ static void crash_handler(int sig_num) { /* when we crash, lets print out something usefull */ printf("ERROR: "); switch(sig_num) { #ifdef SIGSEGV case SIGSEGV: puts("This program has caused a Segmentation fault."); break; #endif /* SIGSEGV */ #ifdef SIGFPE case SIGFPE: puts("This program has caused a Floating Point Exception"); break; #endif /* SIGFPE */ #ifdef SIGILL case SIGILL: puts("This program has attempted an illegal instruction"); break; #endif /* SIGILL */ #ifdef SIGPIPE case SIGPIPE: puts("This program tried to write to a broken pipe"); break; #endif /* SIGPIPE */ #ifdef SIGBUS case SIGBUS: puts("This program had a bus error"); break; #endif /* SIGBUS */ } if (sig_num == SIGSEGV) { puts(" This may have been caused by an incorrectly formatted"); puts(" input tree file or input file. You should check those"); puts(" files carefully."); puts(" If this seems to be a bug, please mail joe@gs.washington.edu"); } else { puts(" Most likely, you have encountered a bug in the program."); puts(" Since this seems to be a bug, please mail joe@gs.washington.edu"); } puts(" with the name of the program, your computer system type,"); puts(" a full description of the problem, and with the input data file."); puts(" (which should be in the body of the message, not as an Attachment)."); #ifdef WIN32 puts ("Hit Enter or Return to close program."); puts(" You may have to hit Enter or Return twice."); getchar (); getchar (); phyRestoreConsoleAttributes(); #endif abort(); } void init(int argc, char** argv) { /* initialization routine for all programs * anything done at the beginig for every program should be done here */ /* set up signal handler for * segfault,floating point exception, illeagal instruction, bad pipe, bus error * there are more signals that can cause a crash, but these are the most common * even these aren't found on all machines. */ #ifdef SIGSEGV signal(SIGSEGV, crash_handler); #endif /* SIGSEGV */ #ifdef SIGFPE signal(SIGFPE, crash_handler); #endif /* SIGFPE */ #ifdef SIGILL signal(SIGILL, crash_handler); #endif /* SIGILL */ #ifdef SIGPIPE signal(SIGPIPE, crash_handler); #endif /* SIGPIPE */ #ifdef SIGBUS signal(SIGBUS, crash_handler); #endif /* SIGBUS */ #ifdef WIN32 phySetConsoleAttributes(); phyClearScreen(); #endif } void scan_eoln(FILE *f) { /* eat everything to the end of line or eof*/ char ch; while (!eoff(f) && !eoln(f)) gettc(f); if (!eoff(f)) ch = gettc(f); if (ch == '\r' && !eoff(f) && eoln(f)) gettc(f); } boolean eoff(FILE *f) { /* check for end of file */ int ch; if (feof(f)) return true; ch = getc(f); if (ch == EOF) { ungetc(ch, f); return true; } ungetc(ch, f); return false; } /*eoff*/ boolean eoln(FILE *f) { /* check for end of line or eof*/ register int ch; ch = getc(f); if (ch == EOF) return true; ungetc(ch, f); return ((ch == '\n') || (ch == '\r')); } /*eoln*/ int filexists(char *filename) { /* check whether file already exists */ FILE *fp; fp =fopen(filename,"r"); if (fp) { fclose(fp); return 1; } else return 0; } /*filexists*/ const char* get_command_name (const char *vektor) { /* returns the name of the program from vektor without the whole path */ char *last_slash; /* Point to the last slash... */ last_slash = strrchr (vektor, DELIMITER); if (last_slash) /* If there was a last slash, return the character after it */ return last_slash + 1; else /* If not, return the vector */ return vektor; } /*get_command_name*/ void getstryng(char *fname) { /* read in a file name from stdin and take off newline if any */ fname = fgets(fname, 100, stdin); if (strchr(fname, '\n') != NULL) *strchr(fname, '\n') = '\0'; } /* getstryng */ void countup(long *loopcount, long maxcount) { /* count how many times this loop has tried to read data, bail out if exceeds maxcount */ (*loopcount)++; if ((*loopcount) >= maxcount) { printf("\nERROR: Made %ld attempts to read input in loop. Aborting run.\n", *loopcount); exxit(-1); } } /* countup */ void openfile(FILE **fp,const char *filename,const char *filedesc, const char *mode,const char *application, char *perm) { /* open a file, testing whether it exists etc. */ FILE *of; char file[FNMLNGTH]; char filemode[2]; char input[FNMLNGTH]; char ch; const char *progname_without_path; long loopcount, loopcount2; progname_without_path = get_command_name(application); strcpy(file,filename); strcpy(filemode,mode); loopcount = 0; while (1){ if (filemode[0] == 'w' && filexists(file)){ printf("\n%s: the file \"%s\" that you wanted to\n", progname_without_path, file); printf(" use as %s already exists.\n", filedesc); printf(" Do you want to Replace it, Append to it,\n"); printf(" write to a new File, or Quit?\n"); loopcount2 = 0; do { printf(" (please type R, A, F, or Q) \n"); #ifdef WIN32 phyFillScreenColor(); #endif fgets(input, sizeof(input), stdin); ch = input[0]; uppercase(&ch); countup(&loopcount2, 10); } while (ch != 'A' && ch != 'R' && ch != 'F' && ch != 'Q'); if (ch == 'Q') exxit(-1); if (ch == 'A') { strcpy(filemode,"a"); continue; } else if (ch == 'F') { file[0] = '\0'; loopcount2 = 0; while (file[0] =='\0') { printf("Please enter a new file name> "); getstryng(file); countup(&loopcount2, 10); } strcpy(filemode,"w"); continue; } } of = fopen(file,filemode); if (of) break; else { switch (filemode[0]){ case 'r': printf("%s: can't find %s \"%s\"\n", progname_without_path, filedesc, file); file[0] = '\0'; loopcount2 = 0; while (file[0] =='\0'){ printf("Please enter a new file name> "); countup(&loopcount2, 10); getstryng(file);} break; case 'w': case 'a': printf("%s: can't write %s file %s\n", progname_without_path, filedesc, file); file[0] = '\0'; loopcount2 = 0; while (file[0] =='\0'){ printf("Please enter a new file name> "); countup(&loopcount2, 10); getstryng(file);} continue; default: printf("There is some error in the call of openfile. Unknown mode.\n"); exxit(-1); } } countup(&loopcount, 20); } *fp = of; if (perm != NULL) strcpy(perm,file); } /* openfile */ void cleerhome() { /* home cursor and clear screen, if possible */ printf("%s", ((ibmpc || ansi) ? ("\033[2J\033[H") : "\n\n")); } /* cleerhome */ double randum(longer seed) { /* random number generator -- slow but machine independent This is a multiplicative congruential 32-bit generator x(t+1) = 1664525 * x(t) mod 2^32, one that passes the Coveyou-Macpherson and Lehmer tests, see Knuth ACP vol. 2 */ long i, j, k, sum; longer mult, newseed; double x; mult[0] = 13; /* these four statements set the multiplier */ mult[1] = 24; /* -- they are its "digits" in a base-64 */ mult[2] = 22; /* notation: 1664525 = 13*64^3+24*64^2 */ mult[3] = 6; /* +22*64+6 */ for (i = 0; i <= 5; i++) newseed[i] = 0; for (i = 0; i <= 5; i++) { sum = newseed[i]; k = i; if (i > 3) k = 3; for (j = 0; j <= k; j++) sum += mult[j] * seed[i - j]; newseed[i] = sum; for (j = i; j <= 4; j++) { newseed[j + 1] += newseed[j] / 64; newseed[j] &= 63; } } memcpy(seed, newseed, sizeof(longer)); seed[5] &= 3; x = 0.0; for (i = 0; i <= 5; i++) x = x / 64.0 + seed[i]; x /= 4.0; return x; } /* randum */ void randumize(longer seed, long *enterorder) { /* randomize input order of species */ long i, j, k; for (i = 0; i < spp; i++) { j = (long)(randum(seed) * (i+1)); k = enterorder[j]; enterorder[j] = enterorder[i]; enterorder[i] = k; } } /* randumize */ double normrand(longer seed) {/* standardized Normal random variate */ double x; x = randum(seed)+randum(seed)+randum(seed)+randum(seed) + randum(seed)+randum(seed)+randum(seed)+randum(seed) + randum(seed)+randum(seed)+randum(seed)+randum(seed)-6.0; return(x); } /* normrand */ long readlong(const char *prompt) { /* read a long */ long res, loopcount; char string[100]; loopcount = 0; do { printf("%s",prompt); getstryng(string); if (sscanf(string,"%ld",&res) == 1) break; countup(&loopcount, 10); } while (1); return res; } /* readlong */ void uppercase(Char *ch) { /* convert ch to upper case */ *ch = (islower (*ch) ? toupper(*ch) : (*ch)); } /* uppercase */ void initseed(long *inseed, long *inseed0, longer seed) { /* input random number seed */ long i, loopcount; loopcount = 0; do { printf("Random number seed (must be odd)?\n"); scanf("%ld%*[^\n]", inseed); getchar(); countup(&loopcount, 10); } while (((*inseed) < 0) || ((*inseed) & 1) == 0); *inseed0 = *inseed; for (i = 0; i <= 5; i++) seed[i] = 0; i = 0; do { seed[i] = *inseed & 63; *inseed /= 64; i++; } while (*inseed != 0); } /*initseed*/ void initjumble(long *inseed, long *inseed0, longer seed, long *njumble) { /* input number of jumblings for jumble option */ long loopcount; initseed(inseed, inseed0, seed); loopcount = 0; do { printf("Number of times to jumble?\n"); scanf("%ld%*[^\n]", njumble); getchar(); countup(&loopcount, 10); } while ((*njumble) < 1); } /*initjumble*/ void initoutgroup(long *outgrno, long spp) { /* input outgroup number */ long loopcount; boolean done; loopcount = 0; do { printf("Type number of the outgroup:\n"); scanf("%ld%*[^\n]", outgrno); getchar(); done = (*outgrno >= 1 && *outgrno <= spp); if (!done) { printf("BAD OUTGROUP NUMBER: %ld\n", *outgrno); printf(" Must be in range 1 - %ld\n", spp); } countup(&loopcount, 10); } while (done != true); } /*initoutgroup*/ void initthreshold(double *threshold) { /* input threshold for threshold parsimony option */ long loopcount; boolean done; loopcount = 0; do { printf("What will be the threshold value?\n"); scanf("%lf%*[^\n]", threshold); getchar(); done = (*threshold >= 1.0); if (!done) printf("BAD THRESHOLD VALUE: it must be greater than 1\n"); else *threshold = (long)(*threshold * 10.0 + 0.5) / 10.0; countup(&loopcount, 10); } while (done != true); } /*initthreshold*/ void initcatn(long *categs) { /* initialize category number for rate categories */ long loopcount; loopcount = 0; do { printf("Number of categories (1-%d)?\n", maxcategs); scanf("%ld%*[^\n]", categs); getchar(); countup(&loopcount, 10); } while (*categs > maxcategs || *categs < 1); } /*initcatn*/ void initcategs(long categs, double *rate) { /* initialize category rates for HMM rates */ long i, loopcount, scanned; char line[100], rest[100]; boolean done; loopcount = 0; for (;;){ printf("Rate for each category? (use a space to separate)\n"); getstryng(line); done = true; for (i = 0; i < categs; i++){ scanned = sscanf(line,"%lf %[^\n]", &rate[i],rest); if ((scanned < 2 && i < (categs - 1)) || (scanned < 1 && i == (categs - 1))){ printf("Please enter exactly %ld values.\n",categs); done = false; break; } strcpy(line,rest); } if (done) break; countup(&loopcount, 100); } } /*initcategs*/ void initprobcat(long categs, double *probsum, double *probcat) { /* input probabilities of rate categores for HMM rates */ long i, loopcount, scanned; boolean done; char line[100], rest[100]; loopcount = 0; do { printf("Probability for each category?"); printf(" (use a space to separate)\n"); getstryng(line); done = true; for (i = 0; i < categs; i++){ scanned = sscanf(line,"%lf %[^\n]",&probcat[i],rest); if ((scanned < 2 && i < (categs - 1)) || (scanned < 1 && i == (categs - 1))){ done = false; printf("Please enter exactly %ld values.\n",categs); break;} strcpy(line,rest); } if (!done) continue; *probsum = 0.0; for (i = 0; i < categs; i++) *probsum += probcat[i]; if (fabs(1.0 - (*probsum)) > 0.001) { done = false; printf("Probabilities must add up to"); printf(" 1.0, plus or minus 0.001.\n"); } countup(&loopcount, 100); } while (!done); } /*initprobcat*/ void lgr(long m, double b, raterootarray lgroot) { /* For use by initgammacat. Get roots of m-th Generalized Laguerre polynomial, given roots of (m-1)-th, these are to be stored in lgroot[m][] */ long i; double upper, lower, x, y; boolean dwn; /* is function declining in this interval? */ if (m == 1) { lgroot[1][1] = 1.0+b; } else { dwn = true; for (i=1; i<=m; i++) { if (i < m) { if (i == 1) lower = 0.0; else lower = lgroot[m-1][i-1]; upper = lgroot[m-1][i]; } else { /* i == m, must search above */ lower = lgroot[m-1][i-1]; x = lgroot[m-1][m-1]; do { x = 2.0*x; y = glaguerre(m, b,x); } while ((dwn && (y > 0.0)) || ((!dwn) && (y < 0.0))); upper = x; } while (upper-lower > 0.000000001) { x = (upper+lower)/2.0; if (glaguerre(m, b, x) > 0.0) { if (dwn) lower = x; else upper = x; } else { if (dwn) upper = x; else lower = x; } } lgroot[m][i] = (lower+upper)/2.0; dwn = !dwn; /* switch for next one */ } } } /* lgr */ double logfac (long n) { /* log(n!) values were calculated with Mathematica with a precision of 30 digits */ long i; double x; switch (n) { case 0: return 0.; case 1: return 0.; case 2: return 0.693147180559945309417232121458; case 3: return 1.791759469228055000812477358381; case 4: return 3.1780538303479456196469416013; case 5: return 4.78749174278204599424770093452; case 6: return 6.5792512120101009950601782929; case 7: return 8.52516136106541430016553103635; case 8: return 10.60460290274525022841722740072; case 9: return 12.80182748008146961120771787457; case 10: return 15.10441257307551529522570932925; case 11: return 17.50230784587388583928765290722; case 12: return 19.98721449566188614951736238706; default: x = 19.98721449566188614951736238706; for (i = 13; i <= n; i++) x += log(i); return x; } } double glaguerre(long m, double b, double x) { /* Generalized Laguerre polynomial computed recursively. For use by initgammacat */ long i; double gln, glnm1, glnp1; /* L_n, L_(n-1), L_(n+1) */ if (m == 0) return 1.0; else { if (m == 1) return 1.0 + b - x; else { gln = 1.0+b-x; glnm1 = 1.0; for (i=2; i <= m; i++) { glnp1 = ((2*(i-1)+b+1.0-x)*gln - (i-1+b)*glnm1)/i; glnm1 = gln; gln = glnp1; } return gln; } } } /* glaguerre */ void initlaguerrecat(long categs, double alpha, double *rate, double *probcat) { /* calculate rates and probabilities to approximate Gamma distribution of rates with "categs" categories and shape parameter "alpha" using rates and weights from Generalized Laguerre quadrature */ long i; raterootarray lgroot; /* roots of GLaguerre polynomials */ double f, x, xi, y; alpha = alpha - 1.0; lgroot[1][1] = 1.0+alpha; for (i = 2; i <= categs; i++) lgr(i, alpha, lgroot); /* get roots for L^(a)_n */ /* here get weights */ /* Gamma weights are (1+a)(1+a/2) ... (1+a/n)*x_i/((n+1)^2 [L_{n+1}^a(x_i)]^2) */ f = 1; for (i = 1; i <= categs; i++) f *= (1.0+alpha/i); for (i = 1; i <= categs; i++) { xi = lgroot[categs][i]; y = glaguerre(categs+1, alpha, xi); x = f*xi/((categs+1)*(categs+1)*y*y); rate[i-1] = xi/(1.0+alpha); probcat[i-1] = x; } } /* initlaguerrecat */ double hermite(long n, double x) { /* calculates hermite polynomial with degree n and parameter x */ /* seems to be unprecise for n>13 -> root finder does not converge*/ double h1 = 1.; double h2 = 2. * x; double xx = 2. * x; long i; for (i = 1; i < n; i++) { xx = 2. * x * h2 - 2. * (i) * h1; h1 = h2; h2 = xx; } return xx; } /* hermite */ void root_hermite(long n, double *hroot) { /* find roots of Hermite polynmials */ long z; long ii; long start; if (n % 2 == 0) { start = n/2; z = 1; } else { start = n/2 + 1; z=2; hroot[start-1] = 0.0; } for (ii = start; ii < n; ii++) { /* search only upwards*/ hroot[ii] = halfroot(hermite,n,hroot[ii-1]+EPSILON, 1./n); hroot[start - z] = -hroot[ii]; z++; } } /* root_hermite */ double halfroot(double (*func)(long m, double x), long n, double startx, double delta) { /* searches from the bound (startx) only in one direction (by positive or negative delta, which results in other-bound=startx+delta) delta should be small. (*func) is a function with two arguments */ double xl; double xu; double xm; double fu; double fl; double fm = 100000.; double gradient; boolean dwn; /* decide if we search above or below startx and escapes to trace back to the starting point that most often will be the root from the previous calculation */ if (delta < 0) { xu = startx; xl = xu + delta; } else { xl = startx; xu = xl + delta; } delta = fabs(delta); fu = (*func)(n, xu); fl = (*func)(n, xl); gradient = (fl-fu)/(xl-xu); while(fabs(fm) > EPSILON) { /* is root outside of our bracket?*/ if ((fu<0.0 && fl<0.0) || (fu>0.0 && fl > 0.0)) { xu += delta; fu = (*func)(n, xu); fl = (*func)(n, xl); gradient = (fl-fu)/(xl-xu); dwn = (gradient < 0.0) ? true : false; } else { xm = xl - fl / gradient; fm = (*func)(n, xm); if (dwn) { if (fm > 0.) { xl = xm; fl = fm; } else { xu = xm; fu = fm; } } else { if (fm > 0.) { xu = xm; fu = fm; } else { xl = xm; fl = fm; } } gradient = (fl-fu)/(xl-xu); } } return xm; } /* halfroot */ void hermite_weight(long n, double * hroot, double * weights) { /* calculate the weights for the hermite polynomial at the roots using formula Abramowitz and Stegun chapter 25.4.46 p.890 */ long i; double hr2; double numerator; numerator = exp(0.6931471805599 * ( n-1.) + logfac(n)) / (n*n); for (i = 0; i < n; i++) { hr2 = hermite(n-1, hroot[i]); weights[i] = numerator / (hr2*hr2); } } /* hermiteweight */ void inithermitcat(long categs, double alpha, double *rate, double *probcat) { /* calculates rates and probabilities */ long i; double *hroot; double std; std = SQRT2 /sqrt(alpha); hroot = (double *) Malloc((categs+1) * sizeof(double)); root_hermite(categs, hroot); /* calculate roots */ hermite_weight(categs, hroot, probcat); /* set weights */ for (i=0; i= 100.0) inithermitcat(categs, alpha, rate, probcat); else initlaguerrecat(categs, alpha, rate, probcat); } /* initgammacat */ void inithowmany(long *howmany, long howoften) {/* input how many cycles */ long loopcount; loopcount = 0; do { printf("How many cycles of %4ld trees?\n", howoften); scanf("%ld%*[^\n]", howmany); getchar(); countup(&loopcount, 10); } while (*howmany <= 0); } /*inithowmany*/ void inithowoften(long *howoften) { /* input how many trees per cycle */ long loopcount; loopcount = 0; do { printf("How many trees per cycle?\n"); scanf("%ld%*[^\n]", howoften); getchar(); countup(&loopcount, 10); } while (*howoften <= 0); } /*inithowoften*/ void initlambda(double *lambda) { /* input patch length parameter for autocorrelated HMM rates */ long loopcount; loopcount = 0; do { printf("Mean block length of sites having the same rate (greater than 1)?\n"); scanf("%lf%*[^\n]", lambda); getchar(); countup(&loopcount, 10); } while (*lambda <= 1.0); *lambda = 1.0 / *lambda; } /*initlambda*/ void initfreqs(double *freqa, double *freqc, double *freqg, double *freqt) { /* input frequencies of the four bases */ char input[100]; long scanned, loopcount; printf("Base frequencies for A, C, G, T/U (use blanks to separate)?\n"); loopcount = 0; do { getstryng(input); scanned = sscanf(input,"%lf%lf%lf%lf%*[^\n]", freqa, freqc, freqg, freqt); if (scanned == 4) break; else printf("Please enter exactly 4 values.\n"); countup(&loopcount, 100); } while (1); } /* initfreqs */ void initratio(double *ttratio) { /* input transition/transversion ratio */ long loopcount; loopcount = 0; do { printf("Transition/transversion ratio?\n"); scanf("%lf%*[^\n]", ttratio); getchar(); countup(&loopcount, 10); } while (*ttratio < 0.0); } /* initratio */ void initpower(double *power) { printf("New power?\n"); scanf("%lf%*[^\n]", power); getchar(); } /*initpower*/ void initdatasets(long *datasets) { /* handle multi-data set option */ long loopcount; boolean done; loopcount = 0; do { printf("How many data sets?\n"); scanf("%ld%*[^\n]", datasets); getchar(); done = (*datasets > 1); if (!done) printf("Bad data sets number: it must be greater than 1\n"); countup(&loopcount, 10); } while (!done); } /* initdatasets */ void justweights(long *datasets) { /* handle multi-data set option by weights */ long loopcount; boolean done; loopcount = 0; do { printf("How many sets of weights?\n"); scanf("%ld%*[^\n]", datasets); getchar(); done = (*datasets >= 1); if (!done) printf("BAD NUMBER: it must be greater than 1\n"); countup(&loopcount, 10); } while (!done); } /* justweights */ void initterminal(boolean *ibmpc, boolean *ansi) { /* handle terminal option */ if (*ibmpc) { *ibmpc = false; *ansi = true; } else if (*ansi) *ansi = false; else *ibmpc = true; } /*initterminal*/ void initnumlines(long *screenlines) { long loopcount; loopcount = 0; do { *screenlines = readlong("Number of lines on screen?\n"); countup(&loopcount, 10); } while (*screenlines <= 12); } /*initnumlines*/ void initbestrees(bestelm *bestrees, long maxtrees, boolean glob) { /* initializes either global or local field of each array in bestrees */ long i; if (glob) for (i = 0; i < maxtrees; i++) bestrees[i].gloreange = false; else for (i = 0; i < maxtrees; i++) bestrees[i].locreange = false; } /* initbestrees */ void newline(FILE *filename, long i, long j, long k) { /* go to new line if i is a multiple of j, indent k spaces */ long m; if ((i - 1) % j != 0 || i <= 1) return; putc('\n', filename); for (m = 1; m <= k; m++) putc(' ', filename); } /* newline */ void inputnumbersold(long *spp, long *chars, long *nonodes, long n) { /* input the numbers of species and of characters */ if (fscanf(infile, "%ld%ld", spp, chars) != 2 || *spp <= 0 || *chars <= 0) { printf( "ERROR: Unable to read the number of species or characters in data set\n"); printf( "The input file is incorrect (perhaps it was not saved text only).\n"); } *nonodes = *spp * 2 - n; } /* inputnumbersold */ void inputnumbers(long *spp, long *chars, long *nonodes, long n) { /* input the numbers of species and of characters */ if (fscanf(infile, "%ld%ld", spp, chars) != 2 || *spp <= 0 || *chars <= 0) { printf( "ERROR: Unable to read the number of species or characters in data set\n"); printf( "The input file is incorrect (perhaps it was not saved text only).\n"); } fscanf(infile, "%*[^\n]"); *nonodes = *spp * 2 - n; } /* inputnumbers */ void inputnumbers2(long *spp, long *nonodes, long n) { /* read species number */ if (fscanf(infile, "%ld", spp) != 1 || *spp <= 0) { printf("ERROR: Unable to read the number of species in data set\n"); printf( "The input file is incorrect (perhaps it was not saved text only).\n"); } fscanf(infile, "%*[^\n]"); fprintf(outfile, "\n%4ld Populations\n", *spp); *nonodes = *spp * 2 - n; } /* inputnumbers2 */ void inputnumbers3(long *spp, long *chars) { /* input the numbers of species and of characters */ if (fscanf(infile, "%ld%ld", spp, chars) != 2 || *spp <= 0 || *chars <= 0) { printf( "ERROR: Unable to read the number of species or characters in data set\n"); printf( "The input file is incorrect (perhaps it was not saved text only).\n"); exxit(-1); } } /* inputnumbers3 */ void samenumsp(long *chars, long ith) { /* check if spp is same as the first set in other data sets */ long cursp, curchs; if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld%ld", &cursp, &curchs); if (cursp != spp) { printf( "\n\nERROR: Inconsistent number of species in data set %ld\n\n", ith); exxit(-1); } *chars = curchs; } /* samenumsp */ void samenumsp2(long ith) { /* check if spp is same as the first set in other data sets */ long cursp; if (eoln(infile)) scan_eoln(infile); if (fscanf(infile, "%ld", &cursp) != 1) { printf("\n\nERROR: Unable to read number of species in data set %ld\n", ith); printf( "The input file is incorrect (perhaps it was not saved text only).\n"); exxit(-1); } if (cursp != spp) { printf( "\n\nERROR: Inconsistent number of species in data set %ld\n\n", ith); exxit(-1); } } /* samenumsp2 */ void readoptions(long *extranum, const char *options) { /* read option characters from input file */ Char ch; while (!(eoln(infile))) { ch = gettc(infile); uppercase(&ch); if (strchr(options, ch) != NULL) (* extranum)++; else if (!(ch == ' ' || ch == '\t')) { printf("BAD OPTION CHARACTER: %c\n", ch); exxit(-1); } } scan_eoln(infile); } /* readoptions */ void matchoptions(Char *ch, const char *options) { /* match option characters to those in auxiliary options line */ *ch = gettc(infile); uppercase(ch); if (strchr(options, *ch) == NULL) { printf("ERROR: Incorrect auxiliary options line"); printf(" which starts with %c\n", *ch); exxit(-1); } } /* matchoptions */ void inputweightsold(long chars, steptr weight, boolean *weights) { Char ch; int i; for (i = 1; i < nmlngth ; i++) getc(infile); for (i = 0; i < chars; i++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); if (ch == '\n') ch = ' '; } while (ch == ' '); weight[i] = 1; if (isdigit(ch)) weight[i] = ch - '0'; else if (isalpha(ch)) { uppercase(&ch); weight[i] = ch - 'A' + 10; } else { printf("\n\nERROR: Bad weight character: %c\n\n", ch); exxit(-1); } } scan_eoln(infile); *weights = true; } /*inputweightsold*/ void inputweights(long chars, steptr weight, boolean *weights) { /* input the character weights, 0-9 and A-Z for weights 0 - 35 */ Char ch; long i; for (i = 0; i < chars; i++) { do { if (eoln(weightfile)) scan_eoln(weightfile); ch = gettc(weightfile); if (ch == '\n') ch = ' '; } while (ch == ' '); weight[i] = 1; if (isdigit(ch)) weight[i] = ch - '0'; else if (isalpha(ch)) { uppercase(&ch); weight[i] = ch - 'A' + 10; } else { printf("\n\nERROR: Bad weight character: %c\n\n", ch); exxit(-1); } } scan_eoln(weightfile); *weights = true; } /* inputweights */ void inputweights2(long a, long b, long *weightsum, steptr weight, boolean *weights, const char *prog) { /* input the character weights, 0 or 1 */ Char ch; long i; *weightsum = 0; for (i = a; i < b; i++) { do { if (eoln(weightfile)) scan_eoln(weightfile); ch = gettc(weightfile); } while (ch == ' '); weight[i] = 1; if (ch == '0' || ch == '1') weight[i] = ch - '0'; else { printf("\n\nERROR: Bad weight character: %c -- ", ch); printf("weights in %s must be 0 or 1\n", prog); exxit(-1); } *weightsum += weight[i]; } *weights = true; scan_eoln(weightfile); } /* inputweights2 */ void printweights(FILE *filename, long inc, long chars, steptr weight, const char *letters) { /* print out the weights of sites */ long i, j; boolean letterweights; letterweights = false; for (i = 0; i < chars; i++) if (weight[i] > 9) letterweights = true; fprintf(filename, "\n %s are weighted as follows:",letters); if (letterweights) fprintf(filename, " (A = 10, B = 11, etc.)\n"); else putc('\n', filename); for (i = 0; i < chars; i++) { if (i % 60 == 0) { putc('\n', filename); for (j = 1; j <= nmlngth + 3; j++) putc(' ', filename); } if (weight[i+inc] < 10) fprintf(filename, "%ld", weight[i + inc]); else fprintf(filename, "%c", 'A'-10+(int)weight[i + inc]); if ((i+1) % 5 == 0 && (i+1) % 60 != 0) putc(' ', filename); } fprintf(filename, "\n\n"); } /* printweights */ void inputcategs(long a, long b, steptr category, long categs,const char *prog) { /* input the categories, 1-9 */ Char ch; long i; for (i = a; i < b; i++) { do { if (eoln(catfile)) scan_eoln(catfile); ch = gettc(catfile); } while (ch == ' '); if ((ch >= '1') && (ch <= ('0'+categs))) category[i] = ch - '0'; else { printf("\n\nERROR: Bad category character: %c", ch); printf(" -- categories in %s are currently 1-%ld\n", prog, categs); exxit(-1); } } scan_eoln(catfile); } /* inputcategs */ void printcategs(FILE *filename, long chars, steptr category, const char *letters) { /* print out the sitewise categories */ long i, j; fprintf(filename, "\n %s are:\n",letters); for (i = 0; i < chars; i++) { if (i % 60 == 0) { putc('\n', filename); for (j = 1; j <= nmlngth + 3; j++) putc(' ', filename); } fprintf(filename, "%ld", category[i]); if ((i+1) % 10 == 0 && (i+1) % 60 != 0) putc(' ', filename); } fprintf(filename, "\n\n"); } /* printcategs */ void inputfactors(long chars, Char *factor, boolean *factors) { /* reads the factor symbols */ long i; for (i = 1; i < nmlngth; i++) gettc(infile); for (i = 0; i < (chars); i++) { if (eoln(infile)) scan_eoln(infile); factor[i] = gettc(infile); if (factor[i] == '\n') factor[i] = ' '; } scan_eoln(infile); *factors = true; } /* inputfactors */ void inputfactorsnew(long chars, Char *factor, boolean *factors) { /* reads the factor symbols */ long i; for (i = 0; i < (chars); i++) { if (eoln(factfile)) scan_eoln(factfile); factor[i] = gettc(factfile); if (factor[i] == '\n') factor[i] = ' '; } scan_eoln(factfile); *factors = true; } /* inputfactorsnew */ void printfactors(FILE *filename, long chars, Char *factor, const char *letters) { /* print out list of factor symbols */ long i; fprintf(filename, "Factors%s:\n\n", letters); for (i = 1; i <= nmlngth - 5; i++) putc(' ', filename); for (i = 1; i <= (chars); i++) { newline(filename, i, 55, nmlngth + 3); putc(factor[i - 1], filename); if (i % 5 == 0) putc(' ', filename); } putc('\n', filename); } /* printfactors */ void headings(long chars, const char *letters1, const char *letters2) { long i, j; putc('\n', outfile); j = nmlngth + (chars + (chars - 1) / 10) / 2 - 5; if (j < nmlngth - 1) j = nmlngth - 1; if (j > 37) j = 37; fprintf(outfile, "Name"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "%s\n", letters1); fprintf(outfile, "----"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "%s\n\n", letters2); } /* headings */ void initname(long i) { /* read in species name */ long j; for (j = 0; j < nmlngth; j++) { if (eoff(infile) || eoln(infile)) { int j2; if (eoff(infile)) { printf("\n\nERROR: end-of-file"); } else { printf("\n\nERROR: end-of-line"); } printf(" in the middle of species name for species %ld (got '", i+1); for (j2 = 0; j2 spp); if (!done) done = (place[i - 1] != bestrees[(*pos) - 1].btree[i - 1]); if (!done) i++; } (*found) = (i > spp); if (*found) break; below = (place[i - 1] < bestrees[(*pos )- 1].btree[i - 1]); if (below) upper = (*pos) - 1; else lower = (*pos) + 1; } if (!(*found) && !below) (*pos)++; } /* findtree */ void addtree(long pos,long *nextree,boolean collapse,long *place,bestelm *bestrees) { /* puts tree from array place in its proper position in array bestrees */ /* used by dnacomp, dnapars, dollop, mix, & protpars */ long i; for (i = *nextree - 1; i >= pos; i--){ memcpy(bestrees[i].btree, bestrees[i - 1].btree, spp * sizeof(long)); bestrees[i].gloreange = bestrees[i - 1].gloreange; bestrees[i - 1].gloreange = false; bestrees[i].locreange = bestrees[i - 1].locreange; bestrees[i - 1].locreange = false; bestrees[i].collapse = bestrees[i - 1].collapse; } for (i = 0; i < spp; i++) bestrees[pos - 1].btree[i] = place[i]; bestrees[pos - 1].collapse = collapse; (*nextree)++; } /* addtree */ long findunrearranged(bestelm *bestrees, long nextree, boolean glob) { /* finds bestree with either global or local field false */ long i; if (glob) { for (i = 0; i < nextree - 1; i++) if (!bestrees[i].gloreange) return i; } else { for (i = 0; i < nextree - 1; i++) if (!bestrees[i].locreange) return i; } return -1; } /* findunrearranged */ boolean torearrange(bestelm *bestrees, long nextree) { /* sees if any best tree is yet to be rearranged */ if (findunrearranged(bestrees, nextree, true) >= 0) return true; else if (findunrearranged(bestrees, nextree, false) >= 0) return true; else return false; } /* torearrange */ void reducebestrees(bestelm *bestrees, long *nextree) { /* finds best trees with collapsible branches and deletes them */ long i, j; i = 0; j = *nextree - 2; do { while (!bestrees[i].collapse && i < *nextree - 1) i++; while (bestrees[j].collapse && j >= 0) j--; if (i < j) { memcpy(bestrees[i].btree, bestrees[j].btree, spp * sizeof(long)); bestrees[i].gloreange = bestrees[j].gloreange; bestrees[i].locreange = bestrees[j].locreange; bestrees[i].collapse = false; bestrees[j].collapse = true; } } while (i < j); *nextree = i + 1; } /* reducebestrees */ void shellsort(double *a, long *b, long n) { /* Shell sort keeping a, b in same order */ /* used by dnapenny, dolpenny, & penny */ long gap, i, j, itemp; double rtemp; gap = n / 2; while (gap > 0) { for (i = gap + 1; i <= n; i++) { j = i - gap; while (j > 0) { if (a[j - 1] > a[j + gap - 1]) { rtemp = a[j - 1]; a[j - 1] = a[j + gap - 1]; a[j + gap - 1] = rtemp; itemp = b[j - 1]; b[j - 1] = b[j + gap - 1]; b[j + gap - 1] = itemp; } j -= gap; } } gap /= 2; } } /* shellsort */ void getch(Char *c, long *parens, FILE *treefile) { /* get next nonblank character */ do { if (eoln(treefile)) scan_eoln(treefile); (*c) = gettc(treefile); if ((*c) == '\n' || (*c) == '\t') (*c) = ' '; } while ( *c == ' ' && !eoff(treefile) ); if ((*c) == '(') (*parens)++; if ((*c) == ')') (*parens)--; } /* getch */ void getch2(Char *c, long *parens) { /* get next nonblank character */ do { if (eoln(intree)) scan_eoln(intree); *c = gettc(intree); if (*c == '\n' || *c == '\t') *c = ' '; } while (!(*c != ' ' || eoff(intree))); if (*c == '(') (*parens)++; if (*c == ')') (*parens)--; } /* getch2 */ void findch(Char c, Char *ch, long which) { /* scan forward until find character c */ boolean done; long dummy_parens; done = false; while (!done) { if (c == ',') { if (*ch == '(' || *ch == ')' || *ch == ';') { printf( "\n\nERROR in user tree %ld: unmatched parenthesis or missing comma\n\n", which); exxit(-1); } else if (*ch == ',') done = true; } else if (c == ')') { if (*ch == '(' || *ch == ',' || *ch == ';') { printf("\n\nERROR in user tree %ld: ", which); printf("unmatched parenthesis or non-bifurcated node\n\n"); exxit(-1); } else { if (*ch == ')') done = true; } } else if (c == ';') { if (*ch != ';') { printf("\n\nERROR in user tree %ld: ", which); printf("unmatched parenthesis or missing semicolon\n\n"); exxit(-1); } else done = true; } if (*ch != ')' && done) continue; getch(ch, &dummy_parens, intree); } } /* findch */ void findch2(Char c, long *lparens, long *rparens, Char *ch) { /* skip forward in user tree until find character c */ boolean done; long dummy_parens; done = false; while (!done) { if (c == ',') { if (*ch == '(' || *ch == ')' || *ch == ':' || *ch == ';') { printf("\n\nERROR in user tree: "); printf("unmatched parenthesis, missing comma"); printf(" or non-trifurcated base\n\n"); exxit(-1); } else if (*ch == ',') done = true; } else if (c == ')') { if (*ch == '(' || *ch == ',' || *ch == ':' || *ch == ';') { printf( "\n\nERROR in user tree: unmatched parenthesis or non-bifurcated node\n\n"); exxit(-1); } else if (*ch == ')') { (*rparens)++; if ((*lparens) > 0 && (*lparens) == (*rparens)) { if ((*lparens) == spp - 2) { getch(ch, &dummy_parens, intree); if (*ch != ';') { printf( "\n\nERROR in user tree: "); printf("unmatched parenthesis or missing semicolon\n\n"); exxit(-1); } } } done = true; } } if (*ch != ')' && done) continue; if (*ch == ')') getch(ch, &dummy_parens, intree); } } /* findch2 */ void processlength(double *valyew, double *divisor, Char *ch, boolean *minusread, FILE *treefile, long *parens) { /* read a branch length from a treefile */ long digit, ordzero; boolean pointread; ordzero = '0'; *minusread = false; pointread = false; *valyew = 0.0; *divisor = 1.0; getch(ch, parens, treefile); digit = (long)(*ch - ordzero); while ( ((digit <= 9) && (digit >= 0)) || *ch == '.' || *ch == '-') { if (*ch == '.' ) pointread = true; else if (*ch == '-' ) *minusread = true; else { *valyew = *valyew * 10.0 + digit; if (pointread) *divisor *= 10.0; } getch(ch, parens, treefile); digit = (long)(*ch - ordzero); } if (*minusread) *valyew = -(*valyew); } /* processlength */ void writename(long start, long n, long *enterorder) { /* write species name and number in entry order */ long i, j; for (i = start; i < start+n; i++) { printf(" %3ld. ", i+1); for (j = 0; j < nmlngth; j++) putchar(nayme[enterorder[i] - 1][j]); putchar('\n'); fflush(stdout); } } /* writename */ void memerror() { printf("Error allocating memory\n"); exxit(-1); } /* memerror */ void odd_malloc(long x) { /* error message if attempt to malloc too little or too much memory */ printf ("ERROR: a function asked for an inappropriate amount of memory:"); printf (" %ld bytes\n", x); printf (" This can mean one of two things:\n"); printf (" 1. The input file is incorrect"); printf (" (perhaps it was not saved as Text Only),\n"); printf (" 2. There is a bug in the program.\n"); printf (" Please check your input file carefully.\n"); printf (" If it seems to be a bug, please mail joe@gs.washington.edu\n"); printf (" with the name of the program, your computer system type,\n"); printf (" a full description of the problem, and with the input data file.\n"); printf (" (which should be in the body of the message, not as an Attachment).\n"); /* abort() can be used to crash * for debugging */ exxit(-1); } MALLOCRETURN *mymalloc(long x) { /* wrapper for malloc, allowing error message if too little, too much */ MALLOCRETURN *new_block; if ((x <= 0) || (x > TOO_MUCH_MEMORY)) odd_malloc(x); new_block = (MALLOCRETURN *)calloc(1,x); if (!new_block) { memerror(); return (MALLOCRETURN *) new_block; } else return (MALLOCRETURN *) new_block; } /* mymalloc */ void gnu(node **grbg, node **p) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (*grbg != NULL) { *p = *grbg; *grbg = (*grbg)->next; } else *p = (node *)Malloc(sizeof(node)); (*p)->back = NULL; (*p)->next = NULL; (*p)->tip = false; (*p)->times_in_tree = 0.0; (*p)->r = 0.0; (*p)->theta = 0.0; (*p)->x = NULL; (*p)->protx = NULL; /* for the sake of proml */ } /* gnu */ void chuck(node **grbg, node *p) { /* collect garbage on p -- put it on front of garbage list */ p->back = NULL; p->next = *grbg; *grbg = p; } /* chuck */ void zeronumnuc(node *p, long endsite) { long i,j; for (i = 0; i < endsite; i++) for (j = (long)A; j <= (long)O; j++) p->numnuc[i][j] = 0; } /* zeronumnuc */ void zerodiscnumnuc(node *p, long endsite) { long i,j; for (i = 0; i < endsite; i++) for (j = (long)zero; j <= (long)seven; j++) p->discnumnuc[i][j] = 0; } /* zerodiscnumnuc */ void allocnontip(node *p, long *zeros, long endsite) { /* allocate an interior node */ /* used by dnacomp, dnapars, & dnapenny */ p->numsteps = (steptr)Malloc(endsite*sizeof(long)); p->oldnumsteps = (steptr)Malloc(endsite*sizeof(long)); p->base = (baseptr)Malloc(endsite*sizeof(long)); p->oldbase = (baseptr)Malloc(endsite*sizeof(long)); p->numnuc = (nucarray *)Malloc(endsite*sizeof(nucarray)); memcpy(p->base, zeros, endsite*sizeof(long)); memcpy(p->numsteps, zeros, endsite*sizeof(long)); memcpy(p->oldbase, zeros, endsite*sizeof(long)); memcpy(p->oldnumsteps, zeros, endsite*sizeof(long)); zeronumnuc(p, endsite); } /* allocnontip */ void allocdiscnontip(node *p, long *zeros, unsigned char *zeros2, long endsite) { /* allocate an interior node */ /* used by pars */ p->numsteps = (steptr)Malloc(endsite*sizeof(long)); p->oldnumsteps = (steptr)Malloc(endsite*sizeof(long)); p->discbase = (discbaseptr)Malloc(endsite*sizeof(unsigned char)); p->olddiscbase = (discbaseptr)Malloc(endsite*sizeof(unsigned char)); p->discnumnuc = (discnucarray *)Malloc(endsite*sizeof(discnucarray)); memcpy(p->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy(p->numsteps, zeros, endsite*sizeof(long)); memcpy(p->olddiscbase, zeros2, endsite*sizeof(unsigned char)); memcpy(p->oldnumsteps, zeros, endsite*sizeof(long)); zerodiscnumnuc(p, endsite); } /* allocdiscnontip */ void allocnode(node **anode, long *zeros, long endsite) { /* allocate a node */ /* used by dnacomp, dnapars, & dnapenny */ *anode = (node *)Malloc(sizeof(node)); allocnontip(*anode, zeros, endsite); } /* allocnode */ void allocdiscnode(node **anode, long *zeros, unsigned char *zeros2, long endsite) { /* allocate a node */ /* used by pars */ *anode = (node *)Malloc(sizeof(node)); allocdiscnontip(*anode, zeros, zeros2, endsite); } /* allocdiscnontip */ void gnutreenode(node **grbg, node **p, long i, long endsite, long *zeros) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (*grbg != NULL) { *p = *grbg; *grbg = (*grbg)->next; memcpy((*p)->numsteps, zeros, endsite*sizeof(long)); memcpy((*p)->oldnumsteps, zeros, endsite*sizeof(long)); memcpy((*p)->base, zeros, endsite*sizeof(long)); memcpy((*p)->oldbase, zeros, endsite*sizeof(long)); zeronumnuc(*p, endsite); } else allocnode(p, zeros, endsite); (*p)->back = NULL; (*p)->next = NULL; (*p)->tip = false; (*p)->visited = false; (*p)->index = i; (*p)->numdesc = 0; (*p)->sumsteps = 0.0; } /* gnutreenode */ void gnudisctreenode(node **grbg, node **p, long i, long endsite, long *zeros, unsigned char *zeros2) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (*grbg != NULL) { *p = *grbg; *grbg = (*grbg)->next; memcpy((*p)->numsteps, zeros, endsite*sizeof(long)); memcpy((*p)->oldnumsteps, zeros, endsite*sizeof(long)); memcpy((*p)->discbase, zeros2, endsite*sizeof(unsigned char)); memcpy((*p)->olddiscbase, zeros2, endsite*sizeof(unsigned char)); zerodiscnumnuc(*p, endsite); } else allocdiscnode(p, zeros, zeros2, endsite); (*p)->back = NULL; (*p)->next = NULL; (*p)->tip = false; (*p)->visited = false; (*p)->index = i; (*p)->numdesc = 0; (*p)->sumsteps = 0.0; } /* gnudisctreenode */ void chucktreenode(node **grbg, node *p) { /* collect garbage on p -- put it on front of garbage list */ p->back = NULL; p->next = *grbg; *grbg = p; } /* chucktreenode */ void setupnode(node *p, long i) { /* initialization of node pointers, variables */ p->next = NULL; p->back = NULL; p->times_in_tree = (double) i * 1.0; p->index = i; p->tip = false; } /* setupnode */ long count_sibs (node *p) { /* Count the number of nodes in a ring, return the total number of */ /* nodes excluding the one passed into the function (siblings) */ node *q; long return_int = 0; if (p->tip) { printf ("Error: the function count_sibs called on a tip. This is a bug.\n"); exxit (-1); } q = p->next; while (q != p) { if (q == NULL) { printf ("Error: a loop of nodes was not closed.\n"); exxit (-1); } else { return_int++; q = q->next; } } return return_int; } /* count_sibs */ void inittrav (node *p) { /* traverse to set pointers uninitialized on inserting */ long i, num_sibs; node *sib_ptr; if (p == NULL) return; if (p->tip) return; num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->initialized = false; inittrav(sib_ptr->back); } } /* inittrav */ void commentskipper(FILE ***intree, long *bracket) { /* skip over comment bracket contents in reading tree */ char c; c = gettc(**intree); while (c != ']') { if(feof(**intree)) { printf("\n\nERROR: Unmatched comment brackets\n\n"); exxit(-1); } if(c == '[') { (*bracket)++; commentskipper(intree, bracket); } c = gettc(**intree); } (*bracket)--; } /* commentskipper */ long countcomma(FILE **treefile, long *comma) { /* Modified by Dan F. 11/10/96 */ /* The next line inserted so this function leaves the file pointing to where it found it, not just re-winding it. */ long orig_position = ftell (*treefile); Char c; long lparen = 0; long bracket = 0; (*comma) = 0; for (;;){ c = getc(*treefile); if (feof(*treefile)) break; if (c == ';') break; if (c == ',') (*comma)++; if (c == '(') lparen++; if (c == '[') { bracket++; commentskipper(&treefile, &bracket); } } /* Don't just rewind, */ /* rewind (*treefile); */ /* Re-set to where it pointed when the function was called */ fseek (*treefile, orig_position, SEEK_SET); return lparen + (*comma); } /*countcomma*/ /* countcomma rewritten so it passes back both lparen+comma to allocate nodep and a pointer to the comma variable. This allows the tree to know how many species exist, and the tips to be placed in the front of the nodep array */ long countsemic(FILE **treefile) { /* Used to determine the number of user trees. Return either a: the number of semicolons in the file outside comments or b: the first integer in the file */ Char c; long return_val, semic = 0; long bracket = 0; /* Eat all whitespace */ c = gettc(*treefile); while ((c == ' ') || (c == '\t') || (c == '\n')) { c = gettc(*treefile); } /* Then figure out if the first non-white character is a digit; if so, return it */ if (isdigit (c)) { return_val = atoi(&c); } else { /* Loop past all characters, count the number of semicolons outside of comments */ for (;;){ c = fgetc(*treefile); if (feof(*treefile)) break; if (c == ';') semic++; if (c == '[') { bracket++; commentskipper(&treefile, &bracket); } } return_val = semic; } rewind (*treefile); return return_val; } /* countsemic */ void hookup(node *p, node *q) { /* hook together two nodes */ p->back = q; q->back = p; } /* hookup */ void link_trees(long local_nextnum, long nodenum, long local_nodenum, pointarray nodep) { if(local_nextnum == 0) hookup(nodep[nodenum],nodep[local_nodenum]); else if(local_nextnum == 1) hookup(nodep[nodenum], nodep[local_nodenum]->next); else if(local_nextnum == 2) hookup(nodep[nodenum],nodep[local_nodenum]->next->next); else printf("Error in Link_Trees()"); } /* link_trees() */ void allocate_nodep(pointarray *nodep, FILE **treefile, long *precalc_tips) { /* pre-compute space and allocate memory for nodep */ long numnodes; /* returns number commas & ( */ long numcom = 0; /* returns number commas */ numnodes = countcomma(treefile, &numcom) + 1; *nodep = (pointarray)Malloc(2*numnodes*sizeof(node *)); (*precalc_tips) = numcom + 1; /* this will be used in placing the tip nodes in the front region of nodep. Used for species check? */ } /* allocate_nodep -plc */ void malloc_pheno (node *p, long endsite, long rcategs) { /* Allocate the phenotype arrays; used by dnaml */ long i; p->x = (phenotype)Malloc(endsite*sizeof(ratelike)); for (i = 0; i < endsite; i++) p->x[i] = (ratelike)Malloc(rcategs*sizeof(sitelike)); } /* malloc_pheno */ void malloc_ppheno (node *p,long endsite, long rcategs) { /* Allocate the phenotype arrays; used by proml */ long i; p->protx = (pphenotype)Malloc(endsite*sizeof(pratelike)); for (i = 0; i < endsite; i++) p->protx[i] = (pratelike)Malloc(rcategs*sizeof(psitelike)); } /* malloc_ppheno */ long take_name_from_tree (Char *ch, Char *str, FILE *treefile) { /* This loop takes in the name from the tree. Return the length of the name string. */ long name_length = 0; do { if ((*ch) == '_') (*ch) = ' '; str[name_length++] = (*ch); if (eoln(treefile)) scan_eoln(treefile); (*ch) = gettc(treefile); if (*ch == '\n') *ch = ' '; } while ((*ch) != ':' && (*ch) != ',' && (*ch) != ')' && (*ch) != '[' && (*ch) != ';' && name_length <= MAXNCH); return name_length; } /* take_name_from_tree */ void match_names_to_data (Char *str, pointarray treenode, node **p, long spp) { /* This loop matches names taken from treefile to indexed names in the data file */ boolean found; long i, n; n = 1; do { found = true; for (i = 0; i < nmlngth; i++) { found = (found && ((str[i] == nayme[n - 1][i]) || (((nayme[n - 1][i] == '_') && (str[i] == ' ')) || ((nayme[n - 1][i] == ' ') && (str[i] == '\0'))))); } if (found) *p = treenode[n - 1]; else n++; } while (!(n > spp || found)); if (n > spp) { printf("\n\nERROR: Cannot find species: "); for (i = 0; (str[i] != '\0') && (i < MAXNCH); i++) putchar(str[i]); printf(" in data file\n\n"); exxit(-1); } } /* match_names_to_data */ void addelement(node **p, node *q, Char *ch, long *parens, FILE *treefile, pointarray treenode, boolean *goteof, boolean *first, pointarray nodep, long *nextnode, long *ntips, boolean *haslengths, node **grbg, initptr initnode) { /* Recursive procedure adds nodes to user-defined tree This is the main (new) tree-reading procedure */ node *pfirst; long i, len = 0, nodei = 0; boolean notlast; Char str[MAXNCH]; node *r; if ((*ch) == '(') { (*nextnode)++; /* get ready to use new interior node */ nodei = *nextnode; /* do what needs to be done at bottom */ (*initnode)(p, grbg, q, len, nodei, ntips, parens, bottom, treenode, nodep, str, ch, treefile); pfirst = (*p); notlast = true; while (notlast) { /* loop through immediate descendants */ (*initnode)(&(*p)->next, grbg, q, len, nodei, ntips, parens, nonbottom, treenode, nodep, str, ch, treefile); /* ... doing what is done before each */ r = (*p)->next; getch(ch, parens, treefile); /* look for next character */ addelement(&(*p)->next->back, (*p)->next, ch, parens, treefile, treenode, goteof, first, nodep, nextnode, ntips, haslengths, grbg, initnode); /* call self recursively */ (*initnode)(&r, grbg, q, len, nodei, ntips, parens, hslength, treenode, nodep, str, ch, treefile); /* do what is done after each about length */ pfirst->numdesc++; /* increment number of descendants */ *p = r; /* make r point back to p */ if ((*ch) == ')') { notlast = false; do { getch(ch, parens, treefile); } while ((*ch) != ',' && (*ch) != ')' && (*ch) != '[' && (*ch) != ';' && (*ch) != ':'); } } (*p)->next = pfirst; (*p) = pfirst; } else if ((*ch) != ')') { /* if it's a species name */ for (i = 0; i < MAXNCH; i++) /* fill string with nulls */ str[i] = '\0'; len = take_name_from_tree (ch, str, treefile); /* get the name */ if ((*ch) == ')') (*parens)--; /* decrement count of open parentheses */ (*initnode)(p, grbg, q, len, nodei, ntips, parens, tip, treenode, nodep, str, ch, treefile); /* do what needs to be done at a tip */ } else getch(ch, parens, treefile); if (q != NULL) hookup(q, (*p)); /* now hook up */ (*initnode)(p, grbg, q, len, nodei, ntips, parens, iter, treenode, nodep, str, ch, treefile); if ((*ch) == ':') (*initnode)(p, grbg, q, len, nodei, ntips, parens, length, treenode, nodep, str, ch, treefile); /* do what needs to be done with length */ else if ((*ch) != ';' && (*ch) != '[') (*initnode)(p, grbg, q, len, nodei, ntips, parens, hsnolength, treenode, nodep, str, ch, treefile); /* ... or what needs to be done when no length */ if ((*ch) == '[') (*initnode)(p, grbg, q, len, nodei, ntips, parens, treewt, treenode, nodep, str, ch, treefile); /* ... for processing a tree weight */ else if ((*ch) == ';') /* ... and at end of tree */ (*initnode)(p, grbg, q, len, nodei, ntips, parens, unittrwt, treenode, nodep, str, ch, treefile); } /* addelement */ void treeread (FILE *treefile, node **root, pointarray treenode, boolean *goteof, boolean *first, pointarray nodep, long *nextnode, boolean *haslengths, node **grbg, initptr initnode) { /* read in user-defined tree and set it up */ char ch; long parens = 0; long ntips = 0; (*goteof) = false; (*nextnode) = spp; /* eat blank lines */ while (eoln(treefile) && !eoff(treefile)) scan_eoln(treefile); if (eoff(treefile)) { (*goteof) = true; return; } getch(&ch, &parens, treefile); while (ch != '(') { /* Eat everything in the file (i.e. digits, tabs) until you encounter an open-paren */ getch(&ch, &parens, treefile); } (*haslengths) = true; addelement(root, NULL, &ch, &parens, treefile, treenode, goteof, first, nodep, nextnode, &ntips, haslengths, grbg, initnode); /* Eat blank lines and end of current line*/ do { scan_eoln(treefile); } while (eoln(treefile) && !eoff(treefile)); (*first) = false; if (parens != 0) { printf("\n\nERROR in tree file: unmatched parentheses\n\n"); exxit(-1); } } /* treeread */ void addelement2(node *q, Char *ch, long *parens, FILE *treefile, pointarray treenode, boolean lngths, double *trweight, boolean *goteof, long *nextnode, long *ntips, long no_species, boolean *haslengths) { /* recursive procedure adds nodes to user-defined tree -- old-style bifurcating-only version */ node *pfirst = NULL, *p; long i, len, current_loop_index; boolean notlast, minusread; Char str[MAXNCH]; double valyew, divisor; if ((*ch) == '(') { current_loop_index = (*nextnode) + spp; (*nextnode)++; /* This is an assignment of an interior node */ p = treenode[current_loop_index]; pfirst = p; notlast = true; while (notlast) { /* This while loop goes through a circle (triad for bifurcations) of nodes */ p = p->next; /* added to ensure that non base nodes in loops have indices */ p->index = current_loop_index + 1; getch(ch, parens, treefile); addelement2(p, ch, parens, treefile, treenode, lngths, trweight, goteof, nextnode, ntips, no_species, haslengths); if ((*ch) == ')') { notlast = false; do { getch(ch, parens, treefile); } while ((*ch) != ',' && (*ch) != ')' && (*ch) != '[' && (*ch) != ';' && (*ch) != ':'); } } } else if ((*ch) != ')') { for (i = 0; i < MAXNCH; i++) str[i] = '\0'; len = take_name_from_tree (ch, str, treefile); match_names_to_data (str, treenode, &p, spp); pfirst = p; if ((*ch) == ')') (*parens)--; (*ntips)++; strncpy (p->nayme, str, len); } else getch(ch, parens, treefile); if ((*ch) == '[') { /* getting tree weight from last comment field */ if (!eoln(treefile)) { fscanf(treefile, "%lf", trweight); getch(ch, parens, treefile); if (*ch != ']') { printf("\n\nERROR: Missing right square bracket\n\n"); exxit(-1); } else { getch(ch, parens, treefile); if (*ch != ';') { printf("\n\nERROR: Missing semicolon after square brackets\n\n"); exxit(-1); } } } } else if ((*ch) == ';') { (*trweight) = 1.0 ; if (!eoln(treefile)) printf("WARNING: tree weight set to 1.0\n"); } else (*haslengths) = ((*haslengths) && q == NULL); if (q != NULL) hookup(q, pfirst); if (q != NULL) { if (q->branchnum < pfirst->branchnum) pfirst->branchnum = q->branchnum; else q->branchnum = pfirst->branchnum; } if ((*ch) == ':') { processlength(&valyew, &divisor, ch, &minusread, treefile, parens); if (q != NULL) { if (!minusread) q->oldlen = valyew / divisor; else q->oldlen = 0.0; if (lngths) { q->v = valyew / divisor; q->back->v = q->v; q->iter = false; q->back->iter = false; q->back->iter = false; } } } } /* addelement2 */ void treeread2 (FILE *treefile, node **root, pointarray treenode, boolean lngths, double *trweight, boolean *goteof, boolean *haslengths, long *no_species) { /* read in user-defined tree and set it up -- old-style bifurcating-only version */ char ch; long parens = 0; long ntips = 0; long nextnode; (*goteof) = false; nextnode = 0; /* Eats all blank lines at start of file */ while (eoln(treefile) && !eoff(treefile)) scan_eoln(treefile); if (eoff(treefile)) { (*goteof) = true; return; } getch(&ch, &parens, treefile); while (ch != '(') { /* Eat everything in the file (i.e. digits, tabs) until you encounter an open-paren */ getch(&ch, &parens, treefile); } addelement2(NULL, &ch, &parens, treefile, treenode, lngths, trweight, goteof, &nextnode, &ntips, (*no_species), haslengths); (*root) = treenode[*no_species]; /*eat blank lines */ while (eoln(treefile) && !eoff(treefile)) scan_eoln(treefile); (*root)->oldlen = 0.0; if (parens != 0) { printf("\n\nERROR in tree file: unmatched parentheses\n\n"); exxit(-1); } } /* treeread2 */ void exxit(int exitcode) { #ifdef WIN32 if (exitcode == 0) #endif exit (exitcode); #ifdef WIN32 else { puts ("Hit Enter or Return to close program."); puts(" You may have to hit Enter or Return twice."); getchar (); getchar (); phyRestoreConsoleAttributes(); exit (exitcode); } #endif } /* exxit */ char gettc(FILE* file) { /* catch eof's so that other functions not expecting an eof * won't have to worry about it */ int ch; ch = getc(file); if (ch == EOF ) { puts("Unexpected End of File"); exxit(-1); } /* printf("ch='%c'\n", (char)ch); */ return ch; } /* gettc */ #ifdef WIN32 void phySaveConsoleAttributes() { GetConsoleScreenBufferInfo( hConsoleOutput, &savecsbi ); } /* PhySaveConsoleAttributes */ void phySetConsoleAttributes() { hConsoleOutput = GetStdHandle(STD_OUTPUT_HANDLE); phySaveConsoleAttributes(); SetConsoleTextAttribute(hConsoleOutput, BACKGROUND_GREEN | BACKGROUND_BLUE | BACKGROUND_INTENSITY); } /* phySetConsoleAttributes */ void phyRestoreConsoleAttributes() { COORD coordScreen = { 0, 0 }; DWORD cCharsWritten; DWORD dwConSize; dwConSize = savecsbi.dwSize.X * savecsbi.dwSize.Y; SetConsoleTextAttribute(hConsoleOutput, savecsbi.wAttributes); FillConsoleOutputAttribute( hConsoleOutput, savecsbi.wAttributes, dwConSize, coordScreen, &cCharsWritten ); } /* phyRestoreConsoleAttributes */ void phyFillScreenColor() { COORD coordScreen = { 0, 0 }; DWORD cCharsWritten; CONSOLE_SCREEN_BUFFER_INFO csbi; /* to get buffer info */ DWORD dwConSize; GetConsoleScreenBufferInfo( hConsoleOutput, &csbi ); dwConSize = csbi.dwSize.X * csbi.dwSize.Y; FillConsoleOutputAttribute( hConsoleOutput, csbi.wAttributes, dwConSize, coordScreen, &cCharsWritten ); } /* PhyFillScreenColor */ void phyClearScreen() { COORD coordScreen = { 0, 0 }; /* here's where we'll home the cursor */ DWORD cCharsWritten; CONSOLE_SCREEN_BUFFER_INFO csbi; /* to get buffer info */ DWORD dwConSize; /* number of character cells in the current buffer */ /* get the number of character cells in the current buffer */ GetConsoleScreenBufferInfo( hConsoleOutput, &csbi ); dwConSize = csbi.dwSize.X * csbi.dwSize.Y; /* fill the entire screen with blanks */ FillConsoleOutputCharacter( hConsoleOutput, (TCHAR) ' ', dwConSize, coordScreen, &cCharsWritten ); /* get the current text attribute */ GetConsoleScreenBufferInfo( hConsoleOutput, &csbi ); /* now set the buffer's attributes accordingly */ FillConsoleOutputAttribute( hConsoleOutput, csbi.wAttributes, dwConSize, coordScreen, &cCharsWritten ); /* put the cursor at (0, 0) */ SetConsoleCursorPosition( hConsoleOutput, coordScreen ); return; } /* PhyClearScreen */ #endif ./arbsrc_9167/GDE/PHYLIP/phylip.h0000644012664100000130000004736211213220011016214 0ustar arb_buildcoders#ifndef _PHYLIP_H_ #define _PHYLIP_H_ /* version 3.6a3. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, Andrew Keeffe, Mike Palczewski, Doug Buxton and Dan Fineman. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define VERSION "3.6a3" /* machine-specific stuff: based on a number of factors in the library stdlib.h, we will try to determine what kind of machine/compiler this program is being built on. However, it doesn't always succeed. However, if you have ANSI conforming C, it will probably work. We will try to figure out machine type based on defines in stdio, and compiler-defined things as well.: */ #include #include #ifdef WIN32 #include void phyClearScreen(void); void phySaveConsoleAttributes(void); void phySetConsoleAttributes(void); void phyRestoreConsoleAttributes(void); void phyFillScreenColor(void); #endif #ifndef WIN32 #include /* Contains the close(FILE *f) declaration */ #endif #ifdef GNUDOS #define DJGPP #define DOS #endif #ifdef THINK_C #define MAC #endif #ifdef __MWERKS__ #ifndef WIN32 #define MAC #endif #endif #ifdef __CMS_OPEN #define CMS #define EBCDIC true #define INFILE "infile data" #define OUTFILE "outfile data" #define FONTFILE "fontfile data" #define PLOTFILE "plotfile data" #define INTREE "intree data" #define INTREE2 "intree data 2" #define OUTTREE "outtree data" #define CATFILE "categories data" #define WEIGHTFILE "weights data" #define ANCFILE "ancestors data" #define MIXFILE "mixture data" #define FACTFILE "factors data" #else #define EBCDIC false #define INFILE "infile" #define OUTFILE "outfile" #define FONTFILE "fontfile" /* on unix this might be /usr/local/lib/fontfile */ #define PLOTFILE "plotfile" #define INTREE "intree" #define INTREE2 "intree2" #define OUTTREE "outtree" #define CATFILE "categories" #define WEIGHTFILE "weights" #define ANCFILE "ancestors" #define MIXFILE "mixture" #define FACTFILE "factors" #endif #ifdef L_ctermid /* try and detect for sysV or V7. */ #define SYSTEM_FIVE #endif #ifdef sequent #define SYSTEM_FIVE #endif #ifndef SYSTEM_FIVE #include # if defined(_STDLIB_H_) || defined(_H_STDLIB) || defined(H_SCCSID) || defined(unix) # define UNIX # define MACHINE_TYPE "BSD Unix C" # endif #endif #ifdef __STDIO_LOADED #define VMS #define MACHINE_TYPE "VAX/VMS C" #endif #ifdef __WATCOMC__ #define QUICKC #define WATCOM #define DOS #include "graph.h" #endif /* watcom-c has graphics library calls that are almost identical to * * quick-c, so the "QUICKC" symbol name stays. */ #ifdef _QC #define MACHINE_TYPE "MS-DOS / Quick C" #define QUICKC #include "graph.h" #define DOS #endif #ifdef _DOS_MODE #define MACHINE_TYPE "MS-DOS /Microsoft C " #define DOS /* DOS is always defined if on a DOS machine */ #define MSC /* MSC is defined for microsoft C */ #endif #ifdef __MSDOS__ /* TURBO c compiler, ONLY (no other DOS C compilers) */ #define DOS #define TURBOC #include #include #endif #ifdef DJGPP /* DJ Delorie's original gnu C/C++ port */ #include #endif #ifndef MACHINE_TYPE #define MACHINE_TYPE "ANSI C" #endif #ifdef DOS #define MALLOCRETURN void #else #define MALLOCRETURN void #endif #ifdef VMS #define signed /* signed doesn't exist in VMS */ #endif /* default screen types */ /* if on a DOS but not a Windows system can use IBM PC screen controls */ #ifdef DOS #ifndef WIN32 #define IBMCRT true #define ANSICRT false #endif #endif /* if on a Mac cannot use screen controls */ #ifdef MAC #define IBMCRT false #define ANSICRT false #endif /* if on a Windows system cannot use screen controls */ #ifdef WIN32 #define IBMCRT false #define ANSICRT false #endif /* otherwise, let's assume we are on a Linux or Unix system with no ANSI terminal controls */ #ifndef MAC #ifndef DOS #ifndef WIN32 #define IBMCRT false #define ANSICRT false #endif #endif #endif #ifdef DJGPP #undef MALLOCRETURN #define MALLOCRETURN void #endif /* includes: */ #ifdef UNIX #include #else #include #endif #include #include #ifdef MAC /* debug beerli */ #ifdef DRAW #include "interface.h" #else #include "macface.h" #endif #define getch gettch #endif /* directory delimiters */ #ifdef MAC #define DELIMITER ':' #else #ifdef WIN32 #define DELIMITER '\\' #else #define DELIMITER '/' #endif #endif #define FClose(file) if (file) fclose(file) ; file=NULL #define Malloc(x) mymalloc((long)x) typedef void *Anyptr; #define Signed signed #define Const const #define Volatile volatile #define Char char /* Characters (not bytes) */ #define Static static /* Private global funcs and vars */ #define Local static /* Nested functions */ typedef unsigned char boolean; #define true 1 #define false 0 #define SETBITS 31 MALLOCRETURN *mymalloc(long); #define FNMLNGTH 200 /* length of array to store a file name */ #define MAXNCH 20 #define nmlngth 10 /* number of characters in species name */ #define maxcategs 9 /* maximum number of site types */ #define maxcategs2 11 /* maximum number of site types + 2 */ #define point "." #define pointe '.' #define down 2 #define smoothings 4 /* number of passes through smoothing algorithm */ #define iterations 4 /* number of iterates for each branch */ #define epsilon 0.0001 /* small number used in makenewv */ #define EPSILON 0.00001 /* small number used in hermite root-finding */ #define initialv 0.1 /* starting branch length unless otherwise */ #define over 60 /* maximum width all branches of tree on screen */ #define SQRTPI 1.7724538509055160273 #define SQRT2 1.4142135623730950488 typedef long *steptr; typedef long longer[6]; typedef char naym[MAXNCH]; typedef long *bitptr; typedef double raterootarray[maxcategs2][maxcategs2]; typedef struct bestelm { long *btree; boolean gloreange; boolean locreange; boolean collapse; } bestelm; extern FILE *infile, *outfile, *intree, *intree2, *outtree, *weightfile, *catfile, *ancfile, *mixfile, *factfile; extern long spp, words, bits; extern boolean ibmpc, ansi, tranvsp; extern naym *nayme; /* names of species */ #define ebcdic EBCDIC typedef Char plotstring[MAXNCH]; /* Approx. 1GB, used to test for memory request errors */ #define TOO_MUCH_MEMORY 1000000000 /* The below pre-processor commands define the type used to store group arrays. We can't use #elif for metrowerks, so we use cascaded if statements */ #include /* K&R says that there should be a plus in front of the number, but no machine we've seen actually uses one; we'll include it just in case. */ #define MAX_32BITS 2147483647 #define MAX_32BITS_PLUS +2147483647 /* If ints are 4 bytes, use them */ #if INT_MAX == MAX_32BITS typedef int group_type; #else #if INT_MAX == MAX_32BITS_PLUS typedef int group_type; #else /* Else, if longs are 4 bytes, use them */ #if LONG_MAX == MAX_32BITS typedef long group_type; #else #if LONG_MAX == MAX_32BITS_PLUS typedef long group_type; /* Default to longs */ #else typedef long group_type; #endif #endif #endif #endif /* for restml */ #define maxcutter 8 /* maximum number of bases in a site in restml */ /* for many programs */ #define maxuser 1000 /* maximum number of user-defined trees */ typedef Char **sequence; typedef enum { A, C, G, T, O } bases; typedef enum { alanine, arginine, asparagine, aspartic, cysteine, glutamine, glutamic, glycine, histidine, isoleucine, leucine, lysine, methionine, phenylalanine, proline, serine, threonine, tryptophan, tyrosine, valine } acids; /* for Pars */ typedef enum { zero = 0, one, two, three, four, five, six, seven } discbases; /* for Protpars */ typedef enum { ala, arg, asn, asp, cys, gln, glu, gly, his, ileu, leu, lys, met, phe, pro, ser1, ser2, thr, trp, tyr, val, del, stop, asx, glx, ser, unk, quest } aas; typedef double sitelike[(long)T - (long)A + 1]; /* used in dnaml, dnadist */ typedef double psitelike[(long)valine - (long)alanine + 1]; /* used in proml */ typedef long *baseptr; /* baseptr used in dnapars, dnacomp & dnapenny */ typedef long *baseptr2; /* baseptr used in dnamove */ typedef unsigned char *discbaseptr; /* discbaseptr used in pars */ typedef sitelike *ratelike; /* used in dnaml ... */ typedef psitelike *pratelike; /* used in proml */ typedef ratelike *phenotype; /* phenotype used in dnaml, dnamlk, dnadist */ typedef pratelike *pphenotype; /* phenotype used in proml */ typedef double sitelike2[maxcutter + 1]; typedef sitelike2 *phenotype2; /* phenotype2 used in restml */ typedef double *phenotype3; /* for continuous char programs */ typedef double *vector; /* used in distance programs */ typedef long nucarray[(long)O - (long)A + 1]; typedef long discnucarray[(long)seven - (long)zero + 1]; typedef enum { nocollap, tocollap, undefined } collapstates; typedef enum { bottom, nonbottom, hslength, tip, iter, length, hsnolength, treewt, unittrwt } initops; typedef double **transmatrix; typedef transmatrix *transptr; /* transptr used in restml */ typedef long sitearray[3]; typedef sitearray *seqptr; /* seqptr used in protpars */ typedef struct node { struct node *next, *back; plotstring nayme; long naymlength, tipsabove, index; double times_in_tree; /* Previously known as cons_index */ double xcoord, ycoord; long long_xcoord, long_ycoord; /* for use in cons. */ double oldlen, length, r, theta, oldtheta, width, depth, tipdist, lefttheta, righttheta; group_type *nodeset; /* used by accumulate -plc */ long ymin, ymax; /* used by printree -plc */ boolean haslength; /* haslength used in dnamlk */ boolean iter; /* iter used in dnaml, fitch & restml */ boolean initialized; /* initialized used in dnamlk & restml */ long branchnum; /* branchnum used in restml */ phenotype x; /* x used in dnaml, dnamlk, dnadist */ phenotype2 x2; /* x2 used in restml */ phenotype3 view; /* contml etc */ pphenotype protx; /* protx used in proml */ aas *seq; /* the sequence used in protpars */ seqptr siteset; /* temporary storage for aa's used in protpars*/ double v, deltav, ssq; /* ssq used only in contrast */ double bigv; /* bigv used in contml */ double tyme, oldtyme; /* used in dnamlk */ double t; /* time in kitsch */ boolean sametime; /* bookkeeps scrunched nodes in kitsch */ double weight; /* weight of node used by scrunch in kitsch */ boolean processed; /* used by evaluate in kitsch */ boolean deleted; /* true if node is deleted (retree) */ boolean hasname; /* true if tip has a name (retree) */ double beyond; /* distance beyond this node to most distant tip */ /* (retree) */ boolean deadend; /* true if no undeleted nodes beyond this node */ /* (retree) */ boolean onebranch; /* true if there is one undeleted node beyond */ /* this node (retree) */ struct node *onebranchnode; /* if there is, a pointer to that node (retree)*/ double onebranchlength; /* if there is, the distance from here to there*/ /* (retree) */ boolean onebranchhaslength; /* true if there is a valid combined length*/ /* from here to there (retree) */ collapstates collapse; /* used in dnapars & dnacomp */ boolean tip; boolean bottom; /* used in dnapars & dnacomp, disc char */ boolean visited; /* used in dnapars & dnacomp disc char */ baseptr base; /* the sequence in dnapars/comp/penny */ discbaseptr discbase; /* the sequence in pars */ baseptr2 base2; /* the sequence in dnamove */ baseptr oldbase; /* record previous sequence */ discbaseptr olddiscbase; /* record previous sequence */ long numdesc; /* number of immediate descendants */ nucarray *numnuc; /* bookkeeps number of nucleotides */ discnucarray *discnumnuc; /* bookkeeps number of nucleotides */ steptr numsteps; /* bookkeeps steps */ steptr oldnumsteps; /* record previous steps */ double sumsteps; /* bookkeeps sum of steps */ nucarray cumlengths; /* bookkeeps cummulative minimum lengths */ discnucarray disccumlengths; /* bookkeeps cummulative minimum lengths */ nucarray numreconst; /* bookkeeps number of reconstructions */ discnucarray discnumreconst; /* bookkeeps number of reconstructions */ vector d, w; /* for distance matrix programs */ double dist; /* dist used in fitch */ bitptr stateone, statezero; /* discrete char programs */ long maxpos; /* maxpos used in Clique */ Char state; /* state used in Dnamove, Dolmove & Move */ } node; typedef node **pointarray; typedef struct tree { pointarray nodep; double likelihood; transptr trans, transprod; /* trans and transprod used in restml */ node *start; /* start used in dnaml & restml */ node *root; /* root used in dnamlk */ } tree; typedef void (*initptr)(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); #ifndef OLDC /* function prototypes */ void scan_eoln(FILE *); boolean eoff(FILE *); boolean eoln(FILE *); int filexists(char *); const char* get_command_name (const char *); void getstryng(char *); void openfile(FILE **,const char *,const char *,const char *,const char *, char *); void cleerhome(void); void loopcount(long *, long); double randum(longer); void randumize(longer, long *); double normrand(longer); long readlong(const char *); void uppercase(Char *); void initseed(long *, long *, longer); void initjumble(long *, long *, longer, long *); void initoutgroup(long *, long); void initthreshold(double *); void initcatn(long *); void initcategs(long, double *); void initprobcat(long, double *, double *); double logfac (long); double halfroot(double (*func)(long , double), long, double, double); double hermite(long, double); void initlaguerrecat(long, double, double *, double *); void root_hermite(long, double *); void hermite_weight(long, double *, double *); void inithermitcat(long, double, double *, double *); void lgr(long, double, raterootarray); double glaguerre(long, double, double); void initgammacat(long, double, double *, double *); void inithowmany(long *, long); void inithowoften(long *); void initlambda(double *); void initfreqs(double *, double *, double *, double *); void initratio(double *); void initpower(double *); void initdatasets(long *); void justweights(long *); void initterminal(boolean *, boolean *); void initnumlines(long *); void initbestrees(bestelm *, long, boolean); void newline(FILE *, long, long, long); void inputnumbers(long *, long *, long *, long); void inputnumbersold(long *, long *, long *, long); void inputnumbers2(long *, long *, long n); void inputnumbers3(long *, long *); void samenumsp(long *, long); void samenumsp2(long); void readoptions(long *, const char *); void matchoptions(Char *, const char *); void inputweights(long, steptr, boolean *); void inputweightsold(long, steptr, boolean *); void inputweights2(long, long, long *, steptr, boolean *, const char *); void printweights(FILE *, long, long, steptr, const char *); void inputcategs(long, long, steptr, long, const char *); void printcategs(FILE *, long, steptr, const char *); void inputfactors(long, Char *, boolean *); void inputfactorsnew(long, Char *, boolean *); void printfactors(FILE *, long, Char *, const char *); void headings(long, const char *, const char *); void initname(long); void findtree(boolean *,long *,long,long *,bestelm *); void addtree(long,long *,boolean,long *,bestelm *); long findunrearranged(bestelm *, long, boolean); boolean torearrange(bestelm *, long); void reducebestrees(bestelm *, long *); void shellsort(double *, long *, long); void getch(Char *, long *, FILE *); void getch2(Char *, long *); void findch(Char, Char *, long); void findch2(Char, long *, long *, Char *); void findch3(Char, Char *, long, long); void processlength(double *,double *,Char *,boolean *,FILE *,long *); void writename(long, long, long *); void memerror(void); void odd_malloc(long); void gnu(node **, node **); void chuck(node **, node *); void zeronumnuc(node *, long); void zerodiscnumnuc(node *, long); void allocnontip(node *, long *, long); void allocdiscnontip(node *, long *, unsigned char *, long ); void allocnode(node **, long *, long); void allocdiscnode(node **, long *, unsigned char *, long ); void gnutreenode(node **, node **, long, long, long *); void gnudisctreenode(node **, node **, long , long, long *, unsigned char *); void chucktreenode(node **, node *); void setupnode(node *, long); long count_sibs (node *); void inittrav (node *); void commentskipper(FILE ***, long *); long countcomma(FILE **, long *); long countsemic(FILE **); void hookup(node *, node *); void link_trees(long, long , long, pointarray); void allocate_nodep(pointarray *, FILE **, long *); void malloc_pheno(node *, long, long); void malloc_ppheno(node *, long, long); long take_name_from_tree (Char *, Char *, FILE *); void match_names_to_data (Char *, pointarray, node **, long); void addelement(node **, node *, Char *, long *, FILE *, pointarray, boolean *, boolean *, pointarray, long *, long *, boolean *, node **, initptr); void treeread (FILE *, node **, pointarray, boolean *, boolean *, pointarray, long *, boolean *, node **, initptr); void addelement2(node *, Char *, long *, FILE *, pointarray, boolean, double *, boolean *, long *, long *, long, boolean *); void treeread2 (FILE *, node **, pointarray, boolean, double *, boolean *, boolean *, long *); void exxit (int); void countup(long *loopcount, long maxcount); char gettc(FILE* file); void init(int argc, char** argv); #endif /* OLDC */ #endif /* _PHYLIP_H_ */ ./arbsrc_9167/GDE/PHYLIP/phylip.html0000644012664100000130000001646211213220011016726 0ustar arb_buildcoders phylip

v3.6

PHYLIP programs and documentation

PHYLIP, the PHYLogeny Inference Package, consists of 34 programs. There are documentation files for each program, in the form of web pages in HTML 3.2. There are also documentation web pages for each group of programs, and a main documentation file that is the basic introduction to the package. Before running any of the programs you should read it.

Below you will find a list of the programs and the documentation files. The names of the documentation files are highlighted as links that will take you to those documentation files.

Introduction to PHYLIP

     main documentation file

Molecular sequence methods

molecular sequence programs documentation file
protparsprotein parsimony documentation file
dnaparsDNA sequence parsimony documentation file
dnapennyDNA parsimony branch and bound documentation file
dnamoveinteractive DNA parsimony documentation file
dnacompDNA compatibility documentation file
dnamlDNA maximum likelihood documentation file
dnamlkDNA maximum likelihood with clock documentation file
promlProtein sequence maximum likelihood documentation file
promlkProtein sequence maximum likelihood with clock documentation file
dnainvarDNA invariants documentation file
dnadistDNA distance documentation file
protdistProtein sequence distance documentation file
restdistRestriction sites and fragments distances documentation file
seqbootBootstrapping/Jackknifing documentation file

Distance matrix methods

Distance matrix programs documentation file
fitchFitch-Margoliash distance matrix method documentation file
kitschFitch-Margoliash distance matrix with clock documentation file
neighborNeighbor-Joining and UPGMA method documentation file

Gene frequencies and continuous characters

Continuous characters and gene frequencies documentation file
contmlMaximum likelihood continuous characters and gene frequencies documentation file
contrastContrast method documentation file
gendistGenetic distance documentation file

Discrete characters methods

Discrete characters methods documentation file
parsUnordered multistate parsimony documentation file
mixMixed method parsimony documentation file
pennyBranch and bound mixed method parsimony documentation file
moveInteractive mixed method parsimony documentation file
dollopDollo and polymorphism parsimony documentation file
dolpennyDollo and polymorphism branch and bound parsimony documentation file
dolmoveDollo and polymorphism interactive parsimony documentation file
clique0/1 characters compatibility method documentation file
factorCharacter recoding program documentation file

Tree drawing, consensus, tree editing, tree distances

Tree drawing programs documentation file
drawgramRooted tree drawing program documentation file
drawtreeUnrooted tree drawing program documentation file
  
consenseConsensus tree program documentation file
treedistTree distance program documentation file
retreeinteractive tree rearrangement program documentation file

./arbsrc_9167/GDE/PHYLIP/proml.c0000644012664100000130000024373711213220011016037 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Lucas Mix, Akiko Fuseki, Sean Lamont, Andrew Keeffe, Dan Fineman, and Patrick Colacurcio. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ typedef long vall[maxcategs]; typedef double contribarr[maxcategs]; #ifndef OLDC /* function prototypes */ void init_protmats(void); void getoptions(void); void makeprotfreqs(void); void allocrest(void); void doinit(void); void inputoptions(void); void input_protdata(long); void makeweights(void); void prot_makevalues(long, pointarray, long, long, sequence, steptr); void prot_inittable(void); void alloc_pmatrix(long); void getinput(void); void inittravtree(node *); void prot_nuview(node *); void prot_slopecurv(node *, double, double *, double *, double *); void makenewv(node *); void update(node *); void smooth(node *); void make_pmatrix(double **, double **, double **, long, double, double, double *, double **); double prot_evaluate(node *, boolean); void treevaluate(void); void promlcopy(tree *, tree *, long, long); void proml_re_move(node **, node **); void insert_(node *, node *, boolean); void addtraverse(node *, node *, boolean); void rearrange(node *, node *); void proml_coordinates(node *, double, long *, double *); void proml_printree(void); void sigma(node *, double *, double *, double *); void describe(node *); void prot_reconstr(node *, long); void rectrav(node *, long, long); void summarize(void); void initpromlnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void dnaml_treeout(node *); void buildnewtip(long, tree *); void buildsimpletree(tree *); void free_all_protx (long, pointarray); void maketree(void); void clean_up(void); /* function prototypes */ #endif extern sequence y; long rcategs; Char infilename[100], outfilename[100], intreename[100], outtreename[100], catfilename[100], weightfilename[100]; double *rate, *rrate, *probcat; long nonodes2, sites, weightsum, categs, datasets, ith, njumble, jumb; long inseed, inseed0, parens; boolean global, jumble, weights, trout, usertree, reconsider, ctgry, rctgry, auto_, hypstate, progress, mulsets, justwts, firstset, improve, smoothit, polishing, lngths, gama, invar, usepam, usejtt; tree curtree, bestree, bestree2, priortree; node *qwhere, *grbg; double cv, alpha, lambda, invarfrac, bestyet; long *enterorder; steptr aliasweight; contribarr *contribution, like, nulike, clai; double **term, **slopeterm, **curveterm; longer seed; char *progname; char aachar[26]="ARNDCQEGHILKMFPSTWYVBZX?*-"; /* Local variables for maketree, propagated globally for c version: */ long k, nextsp, numtrees, maxwhich, mx, mx0, mx1; double dummy, maxlogl; boolean succeeded, smoothed; double **l0gf; double *l0gl; double **tbl; Char ch, ch2; long col; vall *mp; /* Variables introduced to allow for protein probability calculations */ long max_num_sibs; /* maximum number of siblings used in a */ /* nuview calculation. determines size */ /* final size of pmatrices */ double *eigmat; /* eig matrix variable */ double **probmat; /* prob matrix variable */ double ****dpmatrix; /* derivative of pmatrix */ double ****ddpmatrix; /* derivative of xpmatrix */ double *****pmatrices; /* matrix of probabilities of protien */ /* conversion. The 5 subscripts refer */ /* to sibs, rcategs, categs, final and */ /* initial states, respectively. */ double freqaa[20]; /* amino acid frequencies */ static double pameigmat[20] = { -0.022091252,-0.019297602, 0.000004760,-0.017477817, -0.016575549,-0.015504543,-0.002112213,-0.002685727, -0.002976402,-0.013440755,-0.012926992,-0.004293227, -0.005356688,-0.011064786,-0.010480731,-0.008760449, -0.007142318,-0.007381851,-0.007806557,-0.008127024 }; static double pamprobmat[20][20] = { {-0.01522976,-0.00746819,-0.13934468, 0.11755315,-0.00212101, 0.01558456,-0.07408235,-0.00322387, 0.01375826, 0.00448826, 0.00154174, 0.02013313,-0.00159183,-0.00069275,-0.00399898, 0.08414055,-0.01188178,-0.00029870, 0.00220371, 0.00042546}, {-0.07765582,-0.00712634,-0.03683209,-0.08065755,-0.00462872, -0.03791039, 0.10642147,-0.00912185, 0.01436308,-0.00133243, 0.00166346, 0.00624657,-0.00003363,-0.00128729,-0.00690319, 0.17442028,-0.05373336,-0.00078751,-0.00038151, 0.01382718}, {-0.08810973,-0.04081786,-0.04066004,-0.04736004,-0.03275406, -0.03761164,-0.05047487,-0.09086213,-0.03269598,-0.03558015, -0.08407966,-0.07970977,-0.01504743,-0.04011920,-0.05182232, -0.07026991,-0.05846931,-0.01016998,-0.03047472,-0.06280511}, { 0.02513756,-0.00578333, 0.09865453, 0.01322314,-0.00310665, 0.05880899,-0.09252443,-0.02986539,-0.03127460, 0.01007539, -0.00360119,-0.01995024, 0.00094940,-0.00145868,-0.01388816, 0.11358341,-0.12127513,-0.00054696,-0.00055627, 0.00417284}, { 0.16517316,-0.00254742,-0.03318745,-0.01984173, 0.00031890, -0.02817810, 0.02661678,-0.01761215, 0.01665112, 0.10513343, -0.00545026, 0.01827470,-0.00207616,-0.00763758,-0.01322808, -0.02202576,-0.07434204, 0.00020593, 0.00119979,-0.10827873}, { 0.16088826, 0.00056313,-0.02579303,-0.00319655, 0.00037228, -0.03193150, 0.01655305,-0.03028640, 0.01367746,-0.11248153, 0.00778371, 0.02675579, 0.00243718, 0.00895470,-0.01729803, -0.02686964,-0.08262584, 0.00011794,-0.00225134, 0.09415650}, {-0.01739295, 0.00572017,-0.00712592,-0.01100922,-0.00870113, -0.00663461,-0.01153857,-0.02248432,-0.00382264,-0.00358612, -0.00139345,-0.00971460,-0.00133312, 0.01927783,-0.01053838, -0.00911362,-0.01010908, 0.09417598, 0.01763850,-0.00955454}, { 0.01728888, 0.01344211, 0.01200836, 0.01857259,-0.17088517, 0.01457592, 0.01997839, 0.02844884, 0.00839403, 0.00196862, 0.01391984, 0.03270465, 0.00347173,-0.01940984, 0.01233979, 0.00542887, 0.01008836, 0.00126491,-0.02863042, 0.00449764}, {-0.02881366,-0.02184155,-0.01566086,-0.02593764,-0.04050907, -0.01539603,-0.02576729,-0.05089606,-0.00597430, 0.02181643, 0.09835597,-0.04040940, 0.00873512, 0.12139434,-0.02427882, -0.02945238,-0.01566867,-0.01606503, 0.09475319, 0.02238670}, { 0.04080274,-0.02869626,-0.05191093,-0.08435843, 0.00021141, 0.13043842, 0.00871530, 0.00496058,-0.02797641,-0.00636933, 0.02243277, 0.03640362,-0.05735517, 0.00196918,-0.02218934, -0.00608972, 0.02872922, 0.00047619, 0.00151285, 0.00883489}, {-0.02623824, 0.00331152, 0.03640692, 0.04260231,-0.00038223, -0.07480340,-0.01022492,-0.00426473, 0.01448116, 0.01456847, 0.05786680, 0.03368691,-0.10126924,-0.00147454, 0.01275395, 0.00017574,-0.01585206,-0.00015767,-0.00231848, 0.02310137}, {-0.00846258,-0.01508106,-0.01967505,-0.02772004, 0.01248253, -0.01331243,-0.02569382,-0.04461524,-0.02207075, 0.04663443, 0.19347923,-0.02745691, 0.02288515,-0.04883849,-0.01084597, -0.01947187,-0.00081675, 0.00516540,-0.07815919, 0.08035585}, {-0.06553111, 0.09756831, 0.00524326,-0.00885098, 0.00756653, 0.02783099,-0.00427042,-0.16680359, 0.03951331,-0.00490540, 0.01719610, 0.15018204, 0.00882722,-0.00423197,-0.01919217, -0.02963619,-0.01831342,-0.00524338, 0.00011379,-0.02566864}, {-0.07494341,-0.11348850, 0.00241343,-0.00803016, 0.00492438, 0.00711909,-0.00829147, 0.05793337, 0.02734209, 0.02059759, -0.02770280, 0.14128338, 0.01532479, 0.00364307, 0.05968116, -0.06497960,-0.08113941, 0.00319445,-0.00104222, 0.03553497}, { 0.05948223,-0.08959930, 0.03269977,-0.03272374,-0.00365667, -0.03423294,-0.06418925,-0.05902138, 0.05746317,-0.02580596, 0.01259572, 0.05848832, 0.00672666, 0.00233355,-0.05145149, 0.07348503, 0.11427955, 0.00142592,-0.01030651,-0.04862799}, {-0.01606880, 0.05200845,-0.01212967,-0.06824429,-0.00234304, 0.01094203,-0.07375538, 0.08808629, 0.12394822, 0.02231351, -0.03608265,-0.06978045,-0.00618360, 0.00274747,-0.01921876, -0.01541969,-0.02223856,-0.00107603,-0.01251777, 0.05412534}, { 0.01688843, 0.05784728,-0.02256966,-0.07072251,-0.00422551, -0.06261233,-0.08502830, 0.08925346,-0.08529597, 0.01519343, -0.05008258, 0.10931873, 0.00521033, 0.02593305,-0.00717855, 0.02291527, 0.02527388,-0.00266188,-0.00871160, 0.02708135}, {-0.04233344, 0.00076379, 0.01571257, 0.04003092, 0.00901468, 0.00670577, 0.03459487, 0.12420216,-0.00067366,-0.01515094, 0.05306642, 0.04338407, 0.00511287, 0.01036639,-0.17867462, -0.02289440,-0.03213205, 0.00017924,-0.01187362,-0.03933874}, { 0.01284817,-0.01685622, 0.00724363, 0.01687952,-0.00882070, -0.00555957, 0.01676246,-0.05560456,-0.00966893, 0.06197684, -0.09058758, 0.00880607, 0.00108629,-0.08308956,-0.08056832, -0.00413297, 0.02973107, 0.00092948, 0.07010111, 0.13007418}, { 0.00700223,-0.01347574, 0.00691332, 0.03122905, 0.00310308, 0.00946862, 0.03455040,-0.06712536,-0.00304506, 0.04267941, -0.10422292,-0.01127831,-0.00549798, 0.11680505,-0.03352701, -0.00084536, 0.01631369, 0.00095063,-0.09570217, 0.06480321} }; /* this jtt matrix decomposition due to Elisabeth Tillier */ static double jtteigmat[] = {0.0, -0.007031123, -0.006484345, -0.006086499, -0.005514432, -0.00772664, -0.008643413, -0.010620756, -0.009965552, -0.011671808, -0.012222418,-0.004589201, -0.013103714, -0.014048038, -0.003170582, -0.00347935, -0.015311677, -0.016021194, -0.017991454, -0.018911888}; static double jttprobmat[20][20] = {{0.076999996, 0.051000003, 0.043000004, 0.051999998, 0.019999996, 0.041, 0.061999994, 0.073999997, 0.022999999, 0.052000004, 0.090999997, 0.058999988, 0.024000007, 0.04, 0.050999992, 0.069, 0.059000006, 0.014000008, 0.032000004, 0.066000005}, {0.015604455, -0.068062363, 0.020106264, 0.070723273, 0.011702977, 0.009674053, 0.074000798, -0.169750458, 0.005560808, -0.008208636, -0.012305869, -0.063730179, -0.005674643, -0.02116828, 0.104586169, 0.016480839, 0.016765139, 0.005936994, 0.006046367, -0.0082877}, {-0.049778281, -0.007118197, 0.003801272, 0.070749616, 0.047506147, 0.006447017, 0.090522425, -0.053620432, -0.008508175, 0.037170603, 0.051805545, 0.015413608, 0.019939916, -0.008431976, -0.143511376, -0.052486072, -0.032116542, -0.000860626, -0.02535993, 0.03843545}, {-0.028906423, 0.092952047, -0.009615343, -0.067870117, 0.031970392, 0.048338335, -0.054396304, -0.135916654, 0.017780083, 0.000129242, 0.031267424, 0.116333586, 0.007499746, -0.032153596, 0.033517051, -0.013719269, -0.00347293, -0.003291821, -0.02158326, -0.008862168}, {0.037181176, -0.023106564, -0.004482225, -0.029899635, 0.118139633, -0.032298569, -0.04683198, 0.05566988, -0.012622847, 0.002023096, -0.043921088, -0.04792557, -0.003452711, -0.037744513, 0.020822974, 0.036580187, 0.02331425, -0.004807711, -0.017504496, 0.01086673}, {0.044754061, -0.002503471, 0.019452517, -0.015611487, -0.02152807, -0.013131425, -0.03465365, -0.047928912, 0.020608851, 0.067843095, -0.122130014, 0.002521499, 0.013021646, -0.082891087, -0.061590119, 0.016270856, 0.051468938, 0.002079063, 0.081019713, 0.082927944}, {0.058917882, 0.007320741, 0.025278141, 0.000357541, -0.002831285, -0.032453034, -0.010177288, -0.069447924, -0.034467324, 0.011422358, -0.128478324, 0.04309667, -0.015319944, 0.113302422, -0.035052393, 0.046885372, 0.06185183, 0.00175743, -0.06224497, 0.020282093}, {-0.014562092, 0.022522921, -0.007094389, 0.03480089, -0.000326144, -0.124039037, 0.020577906, -0.005056454, -0.081841576, -0.004381786, 0.030826152, 0.091261631, 0.008878828, -0.02829487, 0.042718836, -0.011180886, -0.012719227, -0.000753926, 0.048062375, -0.009399129}, {0.033789571, -0.013512235, 0.088010984, 0.017580292, -0.006608005, -0.037836971, -0.061344686, -0.034268357, 0.018190209, -0.068484614, 0.120024744, -0.00319321, -0.001349477, -0.03000546, -0.073063759, 0.081912399, 0.0635245, 0.000197, -0.002481798, -0.09108114}, {-0.113947615, 0.019230545, 0.088819683, 0.064832765, 0.001801467, -0.063829682, -0.072001633, 0.018429333, 0.057465965, 0.043901014, -0.048050874, -0.001705918, 0.022637173, 0.017404665, 0.043877902, -0.017089594, -0.058489485, 0.000127498, -0.029357194, 0.025943972}, {0.01512923, 0.023603725, 0.006681954, 0.012360216, -0.000181447, -0.023011838, -0.008960024, -0.008533239, 0.012569835, 0.03216118, 0.061986403, -0.001919083, -0.1400832, -0.010669741, -0.003919454, -0.003707024, -0.026806029, -0.000611603, -0.001402648, 0.065312824}, {-0.036405351, 0.020816769, 0.011408213, 0.019787053, 0.038897829, 0.017641789, 0.020858533, -0.006067252, 0.028617353, -0.064259496, -0.081676567, 0.024421823, -0.028751676, 0.07095096, -0.024199434, -0.007513119, -0.028108766, -0.01198095, 0.111761119, -0.076198809}, {0.060831772, 0.144097327, -0.069151377, 0.023754576, -0.003322955, -0.071618574, 0.03353154, -0.02795295, 0.039519769, -0.023453968, -0.000630308, -0.098024591, 0.017672997, 0.003813378, -0.009266499, -0.011192111, 0.016013873, -0.002072968, -0.010022044, -0.012526904}, {-0.050776604, 0.092833081, 0.044069596, 0.050523021, -0.002628417, 0.076542572, -0.06388631, -0.00854892, -0.084725311, 0.017401063, -0.006262541, -0.094457679, -0.002818678, -0.0044122, -0.002883973, 0.028729685, -0.004961596, -0.001498627, 0.017994575, -0.000232779}, {-0.01894566, -0.007760205, -0.015160993, -0.027254587, 0.009800903, -0.013443561, -0.032896517, -0.022734138, -0.001983861, 0.00256111, 0.024823166, -0.021256768, 0.001980052, 0.028136263, -0.012364384, -0.013782446, -0.013061091, 0.111173981, 0.021702122, 0.00046654}, {-0.009444193, -0.042106824, -0.02535015, -0.055125574, 0.006369612, -0.02945416, -0.069922064, -0.067221068, -0.003004999, 0.053624311, 0.128862984, -0.057245803, 0.025550508, 0.087741073, -0.001119043, -0.012036202, -0.000913488, -0.034864475, 0.050124813, 0.055534723}, {0.145782464, -0.024348311, -0.031216873, 0.106174443, 0.00202862, 0.02653866, -0.113657267, -0.00755018, 0.000307232, -0.051241158, 0.001310685, 0.035275877, 0.013308898, 0.002957626, -0.002925034, -0.065362319, -0.071844582, 0.000475894, -0.000112419, 0.034097762}, {0.079840455, 0.018769331, 0.078685899, -0.084329807, -0.00277264, -0.010099754, 0.059700608, -0.019209715, -0.010442992, -0.042100476, -0.006020556, -0.023061786, 0.017246106, -0.001572858, -0.006703785, 0.056301316, -0.156787357, -0.000303638, 0.001498195, 0.051363455}, {0.049628261, 0.016475144, 0.094141653, -0.04444633, 0.005206131, -0.001827555, 0.02195624, 0.013066683, -0.010415582, -0.022338403, 0.007837197, -0.023397671, -0.002507095, 0.005177694, 0.017109561, -0.202340113, 0.069681441, 0.000120736, 0.002201146, 0.004670849}, {0.089153689, 0.000233354, 0.010826822, -0.004273519, 0.001440618, 0.000436077, 0.001182351, -0.002255508, -0.000700465, 0.150589876, -0.003911914, -0.00050154, -0.004564983, 0.00012701, -0.001486973, -0.018902754, -0.054748555, 0.000217377, -0.000319302, -0.162541651}}; void init_protmats() { long l, m; eigmat = (double *) Malloc (20 * sizeof(double)); for (l = 0; l <= 19; l++) if (usejtt) eigmat[l] = jtteigmat[l]; else eigmat[l] = pameigmat[l]; probmat = (double **) Malloc (20 * sizeof(double *)); for (l = 0; l < 20; l++) probmat[l] = (double *) Malloc (20 * sizeof(double)); for (l = 0; l <= 19; l++) for (m= 0; m <= 19; m++) if (usejtt) probmat[l][m] = jttprobmat[l][m]; else probmat[l][m] = pamprobmat[l][m]; } /* init_protmats */ void getoptions() { /* interactively set options */ long i, loopcount, loopcount2; Char ch; boolean didchangecat, didchangercat; double probsum; fprintf(outfile, "\nAmino acid sequence Maximum Likelihood"); fprintf(outfile, " method, version %s\n\n",VERSION); putchar('\n'); ctgry = false; didchangecat = false; rctgry = false; didchangercat = false; categs = 1; rcategs = 1; auto_ = false; gama = false; global = false; hypstate = false; improve = false; invar = false; jumble = false; njumble = 1; lngths = false; lambda = 1.0; outgrno = 1; outgropt = false; reconsider = false; trout = true; usertree = false; weights = false; printdata = false; progress = true; treeprint = true; usepam = false; usejtt = true; interleaved = true; init_protmats(); loopcount = 0; for (;;){ cleerhome(); printf("Amino acid sequence Maximum Likelihood"); printf(" method, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (usertree) { printf(" L Use lengths from user trees? %s\n", (lngths ? "Yes" : "No")); } printf(" P JTT or PAM amino acid change model? %s\n", (usejtt ? "Jones-Taylor-Thornton model" : "Dayhoff PAM model")); printf(" C One category of sites?"); if (!ctgry || categs == 1) printf(" Yes\n"); else printf(" %ld categories of sites\n", categs); printf(" R Rate variation among sites?"); if (!rctgry) printf(" constant rate of change\n"); else { if (gama) printf(" Gamma distributed rates\n"); else { if (invar) printf(" Gamma+Invariant sites\n"); else printf(" user-defined HMM of rates\n"); } printf(" A Rates at adjacent sites correlated?"); if (!auto_) printf(" No, they are independent\n"); else printf(" Yes, mean block length =%6.1f\n", 1.0 / lambda); } printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); if ((!usertree) || reconsider) { printf(" S Speedier but rougher analysis? %s\n", (improve ? "No, not rough" : "Yes")); printf(" G Global rearrangements? %s\n", (global ? "Yes" : "No")); } if (!usertree) { printf(" J Randomize input order of sequences?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } else printf(" V Rearrange starting with user tree? %s\n", (reconsider ? "Yes" : "No")); printf(" O Outgroup root? %s%3ld\n", (outgropt ? "Yes, at sequence number" : "No, use as outgroup species"),outgrno); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", datasets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf(" 5 Reconstruct hypothetical sequences? %s\n", (hypstate ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("UPLCRAWSGJVOMI012345",ch) != NULL){ switch (ch) { case 'C': ctgry = !ctgry; if (ctgry) { printf("\nSitewise user-assigned categories:\n\n"); initcatn(&categs); if (rate){ free(rate); } rate = (double *) Malloc(categs * sizeof(double)); didchangecat = true; initcategs(categs, rate); } break; case 'P': if (usejtt) { usejtt = false; usepam = true; } else { usepam = false; usejtt = true; } break; case 'R': if (!rctgry) { rctgry = true; gama = true; } else { if (gama) { gama = false; invar = true; } else { if (invar) invar = false; else rctgry = false; } } break; case 'A': auto_ = !auto_; if (auto_) initlambda(&lambda); break; case 'W': weights = !weights; break; case 'S': improve = !improve; break; case 'G': global = !global; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lngths = !lngths; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); break; case 'U': usertree = !usertree; break; case 'V': reconsider = !reconsider; break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&datasets); else initdatasets(&datasets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; case '5': hypstate = !hypstate; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } if (gama || invar) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among sites (must be positive)\n"); printf( " In gamma distribution parameters, this is 1/(square root of alpha)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &cv); getchar(); countup(&loopcount, 10); } while (cv <= 0.0); alpha = 1.0 / (cv * cv); } if (!rctgry) auto_ = false; if (rctgry) { printf("\nRates in HMM"); if (invar) printf(" (including one for invariant sites)"); printf(":\n"); initcatn(&rcategs); if (probcat){ free(probcat); free(rrate); } probcat = (double *) Malloc(rcategs * sizeof(double)); rrate = (double *) Malloc(rcategs * sizeof(double)); didchangercat = true; if (gama) initgammacat(rcategs, alpha, rrate, probcat); else { if (invar) { loopcount = 0; do { printf("Fraction of invariant sites?\n"); scanf("%lf%*[^\n]", &invarfrac); getchar(); countup (&loopcount, 10); } while ((invarfrac <= 0.0) || (invarfrac >= 1.0)); initgammacat(rcategs-1, alpha, rrate, probcat); for (i = 0; i < rcategs-1; i++) probcat[i] = probcat[i]*(1.0-invarfrac); probcat[rcategs-1] = invarfrac; rrate[rcategs-1] = 0.0; } else { initcategs(rcategs, rrate); initprobcat(rcategs, &probsum, probcat); } } } if (!didchangercat){ rrate = (double *) Malloc(rcategs*sizeof(double)); probcat = (double *) Malloc(rcategs*sizeof(double)); rrate[0] = 1.0; probcat[0] = 1.0; } if (!didchangecat) { rate = (double *) Malloc(categs*sizeof(double)); rate[0] = 1.0; } } /* getoptions */ void makeprotfreqs() { /* calculate amino acid frequencies based on eigmat */ long i, mineig; mineig = 0; for (i = 0; i <= 19; i++) if (fabs(eigmat[i]) < fabs(eigmat[mineig])) mineig = i; memcpy(freqaa, probmat[mineig], 20 * sizeof(double)); for (i = 0; i <= 19; i++) freqaa[i] = fabs(freqaa[i]); } /* makeprotfreqs */ void allocrest() { long i; y = (Char **) Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *) Malloc(sites*sizeof(Char)); nayme = (naym *) Malloc(spp*sizeof(naym)); enterorder = (long *) Malloc(spp*sizeof(long)); category = (long *) Malloc(sites*sizeof(long)); weight = (long *) Malloc(sites*sizeof(long)); alias = (long *) Malloc(sites*sizeof(long)); ally = (long *) Malloc(sites*sizeof(long)); location = (long *) Malloc(sites*sizeof(long)); aliasweight = (long *) Malloc(sites*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &sites, &nonodes2, 2); getoptions(); makeprotfreqs(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites); alloctree(&curtree.nodep, nonodes2, usertree); allocrest(); if (usertree && !reconsider) return; alloctree(&bestree.nodep, nonodes2, 0); alloctree(&priortree.nodep, nonodes2, 0); if (njumble <= 1) return; alloctree(&bestree2.nodep, nonodes2, 0); } /* doinit */ void inputoptions() { long i; if (!firstset) samenumsp(&sites, ith); if (firstset) { for (i = 0; i < sites; i++) category[i] = 1; for (i = 0; i < sites; i++) weight[i] = 1; } if (justwts || weights) inputweights(sites, weight, &weights); weightsum = 0; for (i = 0; i < sites; i++) weightsum += weight[i]; if ((ctgry && categs > 1) && (firstset || !justwts)) { inputcategs(0, sites, category, categs, "ProML"); if (printdata) printcategs(outfile, sites, category, "Site categories"); } if (weights && printdata) printweights(outfile, 0, sites, weight, "Sites"); fprintf(outfile, "%s model of amino acid change\n\n", (usejtt ? "Jones-Taylor-Thornton" : "Dayhoff PAM")); } /* inputoptions */ void input_protdata(long chars) { /* input the names and sequences for each species */ /* used by proml */ long i, j, k, l, basesread, basesnew; Char charstate; boolean allread, done; if (printdata) headings(chars, "Sequences", "---------"); basesread = 0; basesnew = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp) { if ((interleaved && basesread == 0) || !interleaved) initname(i - 1); j = (interleaved) ? basesread : 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < chars && !(eoln(infile) || eoff(infile))) { charstate = gettc(infile); if (charstate == '\n') charstate = ' '; if (charstate == ' ' || (charstate >= '0' && charstate <= '9')) continue; uppercase(&charstate); if ((strchr("ABCDEFGHIKLMNPQRSTVWXYZ*?-", charstate)) == NULL) { printf("ERROR: bad amino acid: %c at position %ld of species %ld\n", charstate, j+1, i); if (charstate == '.') { printf(" Periods (.) may not be used as gap characters.\n"); printf(" The correct gap character is (-)\n"); } exxit(-1); } j++; y[i - 1][j - 1] = charstate; } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) basesnew = j; scan_eoln(infile); if ((interleaved && j != basesnew) || (!interleaved && j != chars)) { printf("ERROR: SEQUENCES OUT OF ALIGNMENT AT POSITION %ld.\n", j); exxit(-1); } i++; } if (interleaved) { basesread = basesnew; allread = (basesread == chars); } else allread = (i > spp); } if (!printdata) return; for (i = 1; i <= ((chars - 1) / 60 + 1); i++) { for (j = 1; j <= spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j - 1][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > chars) l = chars; for (k = (i - 1) * 60 + 1; k <= l; k++) { if (j > 1 && y[j - 1][k - 1] == y[0][k - 1]) charstate = '.'; else charstate = y[j - 1][k - 1]; putc(charstate, outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } /* input_protdata */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i - 1] = i; ally[i - 1] = 0; aliasweight[i - 1] = weight[i - 1]; location[i - 1] = 0; } sitesort2 (sites, aliasweight); sitecombine2(sites, aliasweight); sitescrunch2(sites, 1, 2, aliasweight); for (i = 1; i <= sites; i++) { if (aliasweight[i - 1] > 0) endsite = i; } for (i = 1; i <= endsite; i++) { location[alias[i - 1] - 1] = i; ally[alias[i - 1] - 1] = alias[i - 1]; } term = (double **) Malloc(endsite * sizeof(double *)); for (i = 0; i < endsite; i++) term[i] = (double *) Malloc(rcategs * sizeof(double)); slopeterm = (double **) Malloc(endsite * sizeof(double *)); for (i = 0; i < endsite; i++) slopeterm[i] = (double *) Malloc(rcategs * sizeof(double)); curveterm = (double **) Malloc(endsite * sizeof(double *)); for (i = 0; i < endsite; i++) curveterm[i] = (double *) Malloc(rcategs * sizeof(double)); mp = (vall *) Malloc(sites*sizeof(vall)); contribution = (contribarr *) Malloc(endsite*sizeof(contribarr)); } /* makeweights */ void prot_makevalues(long categs, pointarray treenode, long endsite, long spp, sequence y, steptr alias) { /* set up fractional likelihoods at tips */ /* a version of makevalues2 found in seq.c */ /* used by proml */ long i, j, k, l; long b; for (k = 0; k < endsite; k++) { j = alias[k]; for (i = 0; i < spp; i++) { for (l = 0; l < categs; l++) { memset(treenode[i]->protx[k][l], 0, sizeof(double)*20); switch (y[i][j - 1]) { case 'A': treenode[i]->protx[k][l][0] = 1.0; break; case 'R': treenode[i]->protx[k][l][(long)arginine - (long)alanine] = 1.0; break; case 'N': treenode[i]->protx[k][l][(long)asparagine - (long)alanine] = 1.0; break; case 'D': treenode[i]->protx[k][l][(long)aspartic - (long)alanine] = 1.0; break; case 'C': treenode[i]->protx[k][l][(long)cysteine - (long)alanine] = 1.0; break; case 'Q': treenode[i]->protx[k][l][(long)glutamine - (long)alanine] = 1.0; break; case 'E': treenode[i]->protx[k][l][(long)glutamic - (long)alanine] = 1.0; break; case 'G': treenode[i]->protx[k][l][(long)glycine - (long)alanine] = 1.0; break; case 'H': treenode[i]->protx[k][l][(long)histidine - (long)alanine] = 1.0; break; case 'I': treenode[i]->protx[k][l][(long)isoleucine - (long)alanine] = 1.0; break; case 'L': treenode[i]->protx[k][l][(long)leucine - (long)alanine] = 1.0; break; case 'K': treenode[i]->protx[k][l][(long)lysine - (long)alanine] = 1.0; break; case 'M': treenode[i]->protx[k][l][(long)methionine - (long)alanine] = 1.0; break; case 'F': treenode[i]->protx[k][l][(long)phenylalanine - (long)alanine] = 1.0; break; case 'P': treenode[i]->protx[k][l][(long)proline - (long)alanine] = 1.0; break; case 'S': treenode[i]->protx[k][l][(long)serine - (long)alanine] = 1.0; break; case 'T': treenode[i]->protx[k][l][(long)threonine - (long)alanine] = 1.0; break; case 'W': treenode[i]->protx[k][l][(long)tryptophan - (long)alanine] = 1.0; break; case 'Y': treenode[i]->protx[k][l][(long)tyrosine - (long)alanine] = 1.0; break; case 'V': treenode[i]->protx[k][l][(long)valine - (long)alanine] = 1.0; break; case 'B': treenode[i]->protx[k][l][(long)asparagine - (long)alanine] = 1.0; treenode[i]->protx[k][l][(long)aspartic - (long)alanine] = 1.0; break; case 'Z': treenode[i]->protx[k][l][(long)glutamine - (long)alanine] = 1.0; treenode[i]->protx[k][l][(long)glutamic - (long)alanine] = 1.0; break; case 'X': /* unknown aa */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; case '?': /* unknown aa */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; case '*': /* stop codon symbol */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; case '-': /* deletion event-absent data or aa */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; } } } } } /* prot_makevalues */ void alloc_pmatrix(long sib) { /* Allocate memory for a new pmatrix. Called iff num_sibs>max_num_sibs */ long j, k, l; double ****temp_matrix; temp_matrix = (double ****) Malloc (rcategs * sizeof(double ***)); for (j = 0; j < rcategs; j++) { temp_matrix[j] = (double ***) Malloc(categs * sizeof(double **)); for (k = 0; k < categs; k++) { temp_matrix[j][k] = (double **) Malloc(20 * sizeof (double *)); for (l = 0; l < 20; l++) temp_matrix[j][k][l] = (double *) Malloc(20 * sizeof(double)); } } pmatrices[sib] = temp_matrix; max_num_sibs++; } /* alloc_pmatrix */ void prot_inittable() { /* Define a lookup table. Precompute values and print them out in tables */ /* Allocate memory for the pmatrices, dpmatices and ddpmatrices */ long i, j, k, l; double sumrates; /* Allocate memory for pmatrices, the array of pointers to pmatrices */ pmatrices = (double *****) Malloc ( spp * sizeof(double ****)); /* Allocate memory for the first 2 pmatrices, the matrix of conversion */ /* probabilities, but only once per run (aka not on the second jumble. */ alloc_pmatrix(0); alloc_pmatrix(1); /* Allocate memory for one dpmatrix, the first derivative matrix */ dpmatrix = (double ****) Malloc( rcategs * sizeof(double ***)); for (j = 0; j < rcategs; j++) { dpmatrix[j] = (double ***) Malloc( categs * sizeof(double **)); for (k = 0; k < categs; k++) { dpmatrix[j][k] = (double **) Malloc( 20 * sizeof(double *)); for (l = 0; l < 20; l++) dpmatrix[j][k][l] = (double *) Malloc( 20 * sizeof(double)); } } /* Allocate memory for one ddpmatrix, the second derivative matrix */ ddpmatrix = (double ****) Malloc( rcategs * sizeof(double ***)); for (j = 0; j < rcategs; j++) { ddpmatrix[j] = (double ***) Malloc( categs * sizeof(double **)); for (k = 0; k < categs; k++) { ddpmatrix[j][k] = (double **) Malloc( 20 * sizeof(double *)); for (l = 0; l < 20; l++) ddpmatrix[j][k][l] = (double *) Malloc( 20 * sizeof(double)); } } /* Allocate memory and assign values to tbl, the matrix of possible rates*/ tbl = (double **) Malloc( rcategs * sizeof(double *)); for (j = 0; j < rcategs; j++) tbl[j] = (double *) Malloc( categs * sizeof(double)); for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) tbl[j][k] = rrate[j]*rate[k]; sumrates = 0.0; for (i = 0; i < endsite; i++) { for (j = 0; j < rcategs; j++) sumrates += aliasweight[i] * probcat[j] * tbl[j][category[alias[i] - 1] - 1]; } sumrates /= (double)sites; for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) { tbl[j][k] /= sumrates; } if (gama) { fprintf(outfile, "\nDiscrete approximation to gamma distributed rates\n"); fprintf(outfile, " Coefficient of variation of rates = %f (alpha = %f)\n", cv, alpha); } if (rcategs > 1) { fprintf(outfile, "\nStates in HMM Rate of change Probability\n\n"); for (i = 0; i < rcategs; i++) if (probcat[i] < 0.0001) fprintf(outfile, "%9ld%16.3f%20.6f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.001) fprintf(outfile, "%9ld%16.3f%19.5f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.01) fprintf(outfile, "%9ld%16.3f%18.4f\n", i+1, rrate[i], probcat[i]); else fprintf(outfile, "%9ld%16.3f%17.3f\n", i+1, rrate[i], probcat[i]); putc('\n', outfile); if (auto_) fprintf(outfile, "Expected length of a patch of sites having the same rate = %8.3f\n", 1/lambda); putc('\n', outfile); } if (categs > 1) { fprintf(outfile, "\nSite category Rate of change\n\n"); for (k = 0; k < categs; k++) fprintf(outfile, "%9ld%16.3f\n", k+1, rate[k]); } if ((rcategs > 1) || (categs >> 1)) fprintf(outfile, "\n\n"); } /* prot_inittable */ void getinput() { /* reads the input data */ if (!justwts || firstset) inputoptions(); if (!justwts || firstset) input_protdata(sites); makeweights(); setuptree2(curtree); if (!usertree || reconsider) { setuptree2(bestree); setuptree2(priortree); if (njumble > 1) setuptree2(bestree2); } prot_allocx(nonodes2, rcategs, curtree.nodep, usertree); if (!usertree || reconsider) { prot_allocx(nonodes2, rcategs, bestree.nodep, 0); prot_allocx(nonodes2, rcategs, priortree.nodep, 0); if (njumble > 1) prot_allocx(nonodes2, rcategs, bestree2.nodep, 0); } prot_makevalues(rcategs, curtree.nodep, endsite, spp, y, alias); } /* getinput */ void inittravtree(node *p) { /* traverse tree to set initialized and v to initial values */ p->initialized = false; p->back->initialized = false; if (!p->tip) { inittravtree(p->next->back); inittravtree(p->next->next->back); } } /* inittravtree */ void prot_nuview(node *p) { long i, j, k, l, m, num_sibs, sib_index; node *sib_ptr, *sib_back_ptr; psitelike prot_xx, x2; double lw, prod7; double **pmat; /* Figure out how many siblings the current node has */ /* and be sure that pmatrices is large enough */ num_sibs = count_sibs(p); for (i = 0; i < num_sibs; i++) if (pmatrices[i] == NULL) alloc_pmatrix(i); /* Recursive calls, should be called for all children */ sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (!sib_back_ptr->tip && !sib_back_ptr->initialized) prot_nuview(sib_back_ptr); } /* Make pmatrices for all possible combinations of category, rcateg */ /* and sib */ sib_ptr = p; /* return to p */ for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; lw = sib_back_ptr->v; for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) make_pmatrix(pmatrices[sib_index][j][k], NULL, NULL, 0, lw, tbl[j][k], eigmat, probmat); } for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { /* initialize to 1 all values of prot_xx */ for (m = 0; m <= 19; m++) prot_xx[m] = 1; sib_ptr = p; /* return to p */ /* loop through all sibs and calculate likelihoods for all possible*/ /* amino acid combinations */ for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; memcpy(x2, sib_back_ptr->protx[i][j], sizeof(psitelike)); pmat = pmatrices[sib_index][j][k]; for (m = 0; m <= 19; m++) { prod7 = 0; for (l = 0; l <= 19; l++) prod7 += (pmat[m][l] * x2[l]); prot_xx[m] *= prod7; } } /* And the final point of this whole function: */ memcpy(p->protx[i][j], prot_xx, sizeof(psitelike)); } } p->initialized = true; } /* prot_nuview */ void prot_slopecurv(node *p,double y,double *like,double *slope,double *curve) { /* compute log likelihood, slope and curvature at node p */ long i, j, k, l, m, lai; double sum, sumc, sumterm, lterm, sumcs, sumcc, sum2, slope2, curve2; double frexm = 0; /* frexm = freqaa[m]*x1[m] */ /* frexml = frexm*x2[l] */ double prod4m, prod5m, prod6m; /* elements of prod4-5 for */ /* each m */ double **pmat, **dpmat, **ddpmat; /* local pointers to global*/ /* matrices */ double prod4, prod5, prod6; contribarr thelike, nulike, nuslope, nucurve, theslope, thecurve, clai, cslai, cclai; node *q; psitelike x1, x2; q = p->back; sum = 0.0; for (j = 0; j < rcategs; j++) { for (k = 0; k < categs; k++) { make_pmatrix(pmatrices[0][j][k], dpmatrix[j][k], ddpmatrix[j][k], 2, y, tbl[j][k], eigmat, probmat); } } for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { memcpy(x1, p->protx[i][j], sizeof(psitelike)); memcpy(x2, q->protx[i][j], sizeof(psitelike)); pmat = pmatrices[0][j][k]; dpmat = dpmatrix[j][k]; ddpmat = ddpmatrix[j][k]; prod4 = 0.0; prod5 = 0.0; prod6 = 0.0; for (m = 0; m <= 19; m++) { prod4m = 0.0; prod5m = 0.0; prod6m = 0.0; frexm = x1[m] * freqaa[m]; for (l = 0; l <= 19; l++) { prod4m += x2[l] * pmat[m][l]; prod5m += x2[l] * dpmat[m][l]; prod6m += x2[l] * ddpmat[m][l]; } prod4 += frexm * prod4m; prod5 += frexm * prod5m; prod6 += frexm * prod6m; } term[i][j] = prod4; slopeterm[i][j] = prod5; curveterm[i][j] = prod6; } sumterm = 0.0; for (j = 0; j < rcategs; j++) sumterm += probcat[j] * term[i][j]; if (sumterm < 0.0) sumterm = 0.00000001; /* ??? */ lterm = log(sumterm); for (j = 0; j < rcategs; j++) { term[i][j] = term[i][j] / sumterm; slopeterm[i][j] = slopeterm[i][j] / sumterm; curveterm[i][j] = curveterm[i][j] / sumterm; } sum += (aliasweight[i] * lterm); } for (i = 0; i < rcategs; i++) { thelike[i] = 1.0; theslope[i] = 0.0; thecurve[i] = 0.0; } for (i = 0; i < sites; i++) { sumc = 0.0; sumcs = 0.0; sumcc = 0.0; for (k = 0; k < rcategs; k++) { sumc += probcat[k] * thelike[k]; sumcs += probcat[k] * theslope[k]; sumcc += probcat[k] * thecurve[k]; } sumc *= lambda; sumcs *= lambda; sumcc *= lambda; if ((ally[i] > 0) && (location[ally[i]-1] > 0)) { lai = location[ally[i] - 1]; memcpy(clai, term[lai - 1], rcategs*sizeof(double)); memcpy(cslai, slopeterm[lai - 1], rcategs*sizeof(double)); memcpy(cclai, curveterm[lai - 1], rcategs*sizeof(double)); if (weight[i] > 1) { for (j = 0; j < rcategs; j++) { if (clai[j] > 0.0) clai[j] = exp(weight[i]*log(clai[j])); else clai[j] = 0.0; if (cslai[j] > 0.0) cslai[j] = exp(weight[i]*log(cslai[j])); else cslai[j] = 0.0; if (cclai[j] > 0.0) cclai[j] = exp(weight[i]*log(cclai[j])); else cclai[j] = 0.0; } } for (j = 0; j < rcategs; j++) { nulike[j] = ((1.0 - lambda) * thelike[j] + sumc) * clai[j]; nuslope[j] = ((1.0 - lambda) * theslope[j] + sumcs) * clai[j] + ((1.0 - lambda) * thelike[j] + sumc) * cslai[j]; nucurve[j] = ((1.0 - lambda) * thecurve[j] + sumcc) * clai[j] + 2.0 * ((1.0 - lambda) * theslope[j] + sumcs) * cslai[j] + ((1.0 - lambda) * thelike[j] + sumc) * cclai[j]; } } else { for (j = 0; j < rcategs; j++) { nulike[j] = ((1.0 - lambda) * thelike[j] + sumc); nuslope[j] = ((1.0 - lambda) * theslope[j] + sumcs); nucurve[j] = ((1.0 - lambda) * thecurve[j] + sumcc); } } memcpy(thelike, nulike, rcategs*sizeof(double)); memcpy(theslope, nuslope, rcategs*sizeof(double)); memcpy(thecurve, nucurve, rcategs*sizeof(double)); } sum2 = 0.0; slope2 = 0.0; curve2 = 0.0; for (i = 0; i < rcategs; i++) { sum2 += probcat[i] * thelike[i]; slope2 += probcat[i] * theslope[i]; curve2 += probcat[i] * thecurve[i]; } sum += log(sum2); (*like) = sum; (*slope) = slope2 / sum2; (*curve) = (curve2 - slope2 * slope2 / sum2) / sum2; } /* prot_slopecurv */ void makenewv(node *p) { /* Newton-Raphson algorithm improvement of a branch length */ long it, ite; double y, yold=0, yorig, like, slope, curve, oldlike=0; boolean done, firsttime, better; node *q; q = p->back; y = p->v; yorig = y; done = false; firsttime = true; it = 1; ite = 0; while ((it < iterations) && (ite < 20) && (!done)) { prot_slopecurv(p, y, &like, &slope, &curve); better = false; if (firsttime) { yold = y; oldlike = like; firsttime = false; better = true; } else { if (like > oldlike) { yold = y; oldlike = like; better = true; it++; } } if (better) { y = y + slope/fabs(curve); if (y < epsilon) y = epsilon; } else { if (fabs(y - yold) < epsilon) ite = 20; y = (y + (7 * yold)) / 8; } ite++; done = fabs(y-yold) < epsilon; } smoothed = (fabs(yold-yorig) < epsilon) && (yorig > 1000.0*epsilon); p->v = yold; q->v = yold; curtree.likelihood = oldlike; } /* makenewv */ void update(node *p) { long num_sibs, i; node *sib_ptr; if (!p->tip && !p->initialized) prot_nuview(p); if (!p->back->tip && !p->back->initialized) prot_nuview(p->back); if (p->iter) { makenewv(p); if (!p->tip) { num_sibs = count_sibs(p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->initialized = false; } } if (!p->back->tip) { num_sibs = count_sibs(p->back); sib_ptr = p->back; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->initialized = false; } } } } /* update */ void smooth(node *p) { long i, num_sibs; node *sib_ptr; smoothed = false; update(p); if (p->tip) return; num_sibs = count_sibs(p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; if (polishing || (smoothit && !smoothed)) { smooth(sib_ptr->back); p->initialized = false; sib_ptr->initialized = false; } } } /* smooth */ void make_pmatrix(double **matrix, double **dmat, double **ddmat, long derivative, double lz, double rat, double *eigmat, double **probmat) { /* Computes the R matrix such that matrix[m][l] is the joint probability */ /* of m and l. */ /* Computes a P matrix such that matrix[m][l] is the conditional */ /* probability of m given l. This is accomplished by dividing all terms */ /* in the R matrix by freqaa[m], the frequency of l. */ long k, l, m; /* (l) original character state */ /* (m) final character state */ /* (k) lambda counter */ double p0, p1, p2, q; double elambdat[20], delambdat[20], ddelambdat[20]; /* exponential term for matrix */ /* and both derivative matrices */ for (k = 0; k <= 19; k++) { elambdat[k] = exp(lz * rat * eigmat[k]); if(derivative != 0) { delambdat[k] = (elambdat[k] * rat * eigmat[k]); ddelambdat[k] = (delambdat[k] * rat * eigmat[k]); } } for (m = 0; m <= 19; m++) { for (l = 0; l <= 19; l++) { p0 = 0.0; p1 = 0.0; p2 = 0.0; for (k = 0; k <= 19; k++) { q = probmat[k][m] * probmat[k][l]; p0 += (q * elambdat[k]); if(derivative !=0) { p1 += (q * delambdat[k]); p2 += (q * ddelambdat[k]); } } matrix[m][l] = p0 / freqaa[m]; if(derivative != 0) { dmat[m][l] = p1 / freqaa[m]; ddmat[m][l] = p2 / freqaa[m]; } } } } /* make_pmatrix */ double prot_evaluate(node *p, boolean saveit) { contribarr tterm; double sum, sum2, sumc, y, prod4, prodl, frexm, sumterm, lterm; double **pmat; long i, j, k, l, m, lai; node *q; psitelike x1, x2; sum = 0.0; q = p->back; y = p->v; for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) make_pmatrix(pmatrices[0][j][k],NULL,NULL,0,y,tbl[j][k],eigmat,probmat); for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { memcpy(x1, p->protx[i][j], sizeof(psitelike)); memcpy(x2, q->protx[i][j], sizeof(psitelike)); prod4 = 0.0; pmat = pmatrices[0][j][k]; for (m = 0; m <= 19; m++) { prodl = 0.0; for (l = 0; l <= 19; l++) prodl += (pmat[m][l] * x2[l]); frexm = x1[m] * freqaa[m]; prod4 += (prodl * frexm); } tterm[j] = prod4; } sumterm = 0.0; for (j = 0; j < rcategs; j++) sumterm += probcat[j] * tterm[j]; if (sumterm < 0.0) sumterm = 0.00000001; /* ??? */ lterm = log(sumterm); for (j = 0; j < rcategs; j++) clai[j] = tterm[j] / sumterm; memcpy(contribution[i], clai, rcategs*sizeof(double)); if (saveit && !auto_ && usertree) l0gf[which - 1][i] = lterm; sum += aliasweight[i] * lterm; } for (j = 0; j < rcategs; j++) like[j] = 1.0; for (i = 0; i < sites; i++) { sumc = 0.0; for (k = 0; k < rcategs; k++) sumc += probcat[k] * like[k]; sumc *= lambda; if ((ally[i] > 0) && (location[ally[i]-1] > 0)) { lai = location[ally[i] - 1]; memcpy(clai, contribution[lai - 1], rcategs*sizeof(double)); for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc) * clai[j]; } else { for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc); } memcpy(like, nulike, rcategs*sizeof(double)); } sum2 = 0.0; for (i = 0; i < rcategs; i++) sum2 += probcat[i] * like[i]; sum += log(sum2); curtree.likelihood = sum; if (!saveit || auto_ || !usertree) return sum; l0gl[which - 1] = sum; if (which == 1) { maxwhich = 1; maxlogl = sum; return sum; } if (sum > maxlogl) { maxwhich = which; maxlogl = sum; } return sum; } /* prot_evaluate */ void treevaluate() { /* evaluate a user tree */ long i; inittravtree(curtree.start); polishing = true; smoothit = true; for (i = 1; i <= smoothings * 4; i++) smooth (curtree.start); dummy = prot_evaluate(curtree.start, true); } /* treevaluate */ void promlcopy(tree *a, tree *b, long nonodes, long categs) { /* used in proml */ long i, j=0; node *p, *q; for (i = 0; i < spp; i++) { prot_copynode(a->nodep[i], b->nodep[i], categs); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next ) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes; i++) { p = a->nodep[i]; q = b->nodep[i]; for (j = 1; j <= 3; j++) { prot_copynode(p, q, categs); if (p->back) { if (p->back == a->nodep[p->back->index - 1]) q->back = b->nodep[p->back->index - 1]; else if (p->back == a->nodep[p->back->index - 1]->next) q->back = b->nodep[p->back->index - 1]->next; else q->back = b->nodep[p->back->index - 1]->next->next; } else q->back = NULL; p = p->next; q = q->next; } } b->likelihood = a->likelihood; b->start = a->start; /* start used in dnaml only */ b->root = a->root; /* root used in dnamlk only */ } /* promlcopy */ void proml_re_move(node **p, node **q) { /* remove p and record in q where it was */ long i; /** assumes bifurcations */ *q = (*p)->next->back; hookup(*q, (*p)->next->next->back); (*p)->next->back = NULL; (*p)->next->next->back = NULL; inittrav((*q)); inittrav((*q)->back); i = 1; while (i <= smoothings) { smooth(*q); if (smoothit) smooth((*q)->back); i++; } } /* proml_re_move */ void insert_(node *p, node *q, boolean dooinit) { /* Insert q near p */ long i, j, num_sibs; node *r, *sib_ptr; r = p->next->next; hookup(r, q->back); hookup(p->next, q); q->v = 0.5 * q->v; q->back->v = q->v; r->v = q->v; r->back->v = r->v; p->initialized = false; p->next->initialized = false; p->next->next->initialized = false; if (dooinit) { inittrav(p); inittrav(q); inittrav(q->back); } i = 1; while (i <= smoothings) { smooth(p); if (!smoothit) { if (!p->tip) { num_sibs = count_sibs(p); sib_ptr = p; for (j=0; j < num_sibs; j++) { smooth(sib_ptr->next->back); sib_ptr = sib_ptr->next; } } } else smooth(p->back); i++; } } /* insert_ */ void addtraverse(node *p, node *q, boolean contin) { /* try adding p at q, proceed recursively through tree */ long i, num_sibs; double like, vsave = 0; node *qback = NULL, *sib_ptr; if (!smoothit) { vsave = q->v; qback = q->back; } insert_(p, q, false); like = prot_evaluate(p, false); if (like > bestyet || bestyet == UNDEFINED) { bestyet = like; if (smoothit) promlcopy(&curtree, &bestree, nonodes2, rcategs); else qwhere = q; succeeded = true; } if (smoothit) promlcopy(&priortree, &curtree, nonodes2, rcategs); else { hookup (q, qback); q->v = vsave; q->back->v = vsave; curtree.likelihood = bestyet; } if (!q->tip && contin) { num_sibs = count_sibs(q); if (q == curtree.start) num_sibs++; sib_ptr = q; for (i=0; i < num_sibs; i++) { addtraverse(p, sib_ptr->next->back, contin); sib_ptr = sib_ptr->next; } } } /* addtraverse */ void rearrange(node *p, node *pp) { /* rearranges the tree, globally or locally moving pp around near p */ long i, num_sibs; double v3 = 0, v4 = 0, v5 = 0; node *q, *r, *sib_ptr; if (!p->tip && !p->back->tip) { curtree.likelihood = bestyet; if (p->back->next != pp) r = p->back->next; else r = p->back->next->next; /* assumes bifurcations? */ if (!smoothit) { v3 = r->v; v4 = r->next->v; v5 = r->next->next->v; } else promlcopy(&curtree, &bestree, nonodes2, rcategs); proml_re_move(&r, &q); if (smoothit) promlcopy(&curtree, &priortree, nonodes2, rcategs); else qwhere = q; num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; addtraverse(r, sib_ptr->back, (boolean)(global && (nextsp == spp))); } if (global && nextsp == spp && !succeeded) { p = p->back; if (!p->tip) { num_sibs = count_sibs (p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; addtraverse(r, sib_ptr->back, (boolean)(global && (nextsp == spp))); } } p = p->back; } if (smoothit) promlcopy(&bestree, &curtree, nonodes2, rcategs); else { insert_(r, qwhere, true); if (qwhere == q) { r->v = v3; r->back->v = v3; r->next->v = v4; r->next->back->v = v4; r->next->next->v = v5; r->next->next->back->v = v5; curtree.likelihood = bestyet; } else { smoothit = true; for (i = 1; i<=smoothings; i++) { smooth(r); smooth(r->back); } smoothit = false; promlcopy(&curtree, &bestree, nonodes2, rcategs); } } if (global && nextsp == spp && progress) { putchar('.'); fflush(stdout); } } if (!p->tip) { num_sibs = count_sibs(p); if (p == curtree.start) num_sibs++; sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; rearrange(sib_ptr->back, p); } } } /* rearrange */ void proml_coordinates(node *p, double lengthsum, long *tipy, double *tipmax) { /* establishes coordinates of nodes */ node *q, *first, *last; double xx; if (p->tip) { p->xcoord = (long)(over * lengthsum + 0.5); p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; return; } q = p->next; do { xx = q->v; if (xx > 100.0) xx = 100.0; proml_coordinates(q->back, lengthsum + xx, tipy,tipmax); q = q->next; } while ((p == curtree.start || p != q) && (p != curtree.start || p->next != q)); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (long)(over * lengthsum + 0.5); if (p == curtree.start) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* proml_coordinates */ void proml_printree() { /* prints out diagram of the tree2 */ long tipy; double scale, tipmax; long i; if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; proml_coordinates(curtree.start, 0.0, &tipy, &tipmax); scale = 1.0 / (long)(tipmax + 1.000); for (i = 1; i <= (tipy - down); i++) drawline2(i, scale, curtree); putc('\n', outfile); } /* proml_printree */ void sigma(node *p, double *sumlr, double *s1, double *s2) { /* compute standard deviation */ double tt, aa, like, slope, curv; prot_slopecurv(p, p->v, &like, &slope, &curv); tt = p->v; p->v = epsilon; p->back->v = epsilon; aa = prot_evaluate(p, false); p->v = tt; p->back->v = tt; (*sumlr) = prot_evaluate(p, false) - aa; if (curv < -epsilon) { (*s1) = p->v + (-slope - sqrt(slope * slope - 3.841 * curv)) / curv; (*s2) = p->v + (-slope + sqrt(slope * slope - 3.841 * curv)) / curv; } else { (*s1) = -1.0; (*s2) = -1.0; } } /* sigma */ void describe(node *p) { /* print out information for one branch */ long i, num_sibs; node *q, *sib_ptr; double sumlr, sigma1, sigma2; if (!p->tip && !p->initialized) prot_nuview(p); if (!p->back->tip && !p->back->initialized) prot_nuview(p->back); q = p->back; if (q->tip) { fprintf(outfile, " "); for (i = 0; i < nmlngth; i++) putc(nayme[q->index-1][i], outfile); fprintf(outfile, " "); } else fprintf(outfile, " %4ld ", q->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index-1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, "%15.5f", q->v); if (p->iter) { sigma(q, &sumlr, &sigma1, &sigma2); if (sigma1 <= sigma2) fprintf(outfile, " ( zero, infinity)"); else { fprintf(outfile, " ("); if (sigma2 <= 0.0) fprintf(outfile, " zero"); else fprintf(outfile, "%9.5f", sigma2); fprintf(outfile, ",%12.5f", sigma1); putc(')', outfile); } if (sumlr > 1.9205) fprintf(outfile, " *"); if (sumlr > 2.995) putc('*', outfile); } putc('\n', outfile); if (!p->tip) { num_sibs = count_sibs(p); sib_ptr = p; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; describe(sib_ptr->back); } } } /* describe */ void prot_reconstr(node *p, long n) { /* reconstruct and print out acid at site n+1 at node p */ long i, j, k, first, num_sibs = 0; double f, sum, xx[20]; node *q = NULL; if (p->tip) putc(y[p->index-1][n], outfile); else { num_sibs = count_sibs(p); if ((ally[n] == 0) || (location[ally[n]-1] == 0)) putc('.', outfile); else { j = location[ally[n]-1] - 1; sum = 0; for (i = 0; i <= 19; i++) { f = p->protx[j][mx-1][i]; if (!p->tip) { q = p; for (k = 0; k < num_sibs; k++) { q = q->next; f *= q->protx[j][mx-1][i]; } } f = sqrt(f); xx[i] = f * freqaa[i]; sum += xx[i]; } for (i = 0; i <= 19; i++) xx[i] /= sum; first = 0; for (i = 0; i <= 19; i++) if (xx[i] > xx[first]) first = i; if (xx[first] > 0.95) putc(aachar[first], outfile); else putc(tolower(aachar[first]), outfile); if (rctgry && rcategs > 1) mx = mp[n][mx - 1]; else mx = 1; } } } /* prot_reconstr */ void rectrav(node *p, long m, long n) { /* print out segment of reconstructed sequence for one branch */ long i; putc(' ', outfile); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index-1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, " "); mx = mx0; for (i = m; i <= n; i++) { if ((i % 10 == 0) && (i != m)) putc(' ', outfile); prot_reconstr(p, i); } putc('\n', outfile); if (!p->tip) { rectrav(p->next->back, m, n); rectrav(p->next->next->back, m, n); } mx1 = mx; } /* rectrav */ void summarize() { /* print out branch length information and node numbers */ long i, j, mm, num_sibs; double mode, sum; double like[maxcategs],nulike[maxcategs]; double **marginal; node *sib_ptr; if (!treeprint) return; fprintf(outfile, "\nremember: "); if (outgropt) fprintf(outfile, "(although rooted by outgroup) "); fprintf(outfile, "this is an unrooted tree!\n\n"); fprintf(outfile, "Ln Likelihood = %11.5f\n", curtree.likelihood); fprintf(outfile, "\n Between And Length"); if (!(usertree && lngths)) fprintf(outfile, " Approx. Confidence Limits"); fprintf(outfile, "\n"); fprintf(outfile, " ------- --- ------"); if (!(usertree && lngths)) fprintf(outfile, " ------- ---------- ------"); fprintf(outfile, "\n\n"); for (i = spp; i < nonodes2; i++) { /* So this works with arbitrary multifurcations */ if (curtree.nodep[i]) { num_sibs = count_sibs (curtree.nodep[i]); sib_ptr = curtree.nodep[i]; for (j = 0; j < num_sibs; j++) { sib_ptr->initialized = false; sib_ptr = sib_ptr->next; } } } describe(curtree.start->back); /* So this works with arbitrary multifurcations */ num_sibs = count_sibs(curtree.start); sib_ptr = curtree.start; for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; describe(sib_ptr->back); } fprintf(outfile, "\n"); if (!(usertree && lngths)) { fprintf(outfile, " * = significantly positive, P < 0.05\n"); fprintf(outfile, " ** = significantly positive, P < 0.01\n\n"); } dummy = prot_evaluate(curtree.start, false); if (rctgry && rcategs > 1) { for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j]; mp[i][j] = j + 1; for (k = 1; k <= rcategs; k++) { if (k != j + 1) { if (lambda * probcat[k - 1] * like[k - 1] > nulike[j]) { nulike[j] = lambda * probcat[k - 1] * like[k - 1]; mp[i][j] = k; } } } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); } mode = 0.0; mx = 1; for (i = 1; i <= rcategs; i++) { if (probcat[i - 1] * like[i - 1] > mode) { mx = i; mode = probcat[i - 1] * like[i - 1]; } } mx0 = mx; fprintf(outfile, "Combination of categories that contributes the most to the likelihood:\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 1; i <= sites; i++) { fprintf(outfile, "%ld", mx); if (i % 10 == 0) putc(' ', outfile); if (i % 60 == 0 && i != sites) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } mx = mp[i - 1][mx - 1]; } fprintf(outfile, "\n\n"); marginal = (double **) Malloc(sites*sizeof(double *)); for (i = 0; i < sites; i++) marginal[i] = (double *) Malloc(rcategs*sizeof(double)); for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) { nulike[j] /= sum; marginal[i][j] = nulike[j]; } memcpy(like, nulike, rcategs * sizeof(double)); } for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } marginal[i][j] *= like[j] * probcat[j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); sum = 0.0; for (j = 0; j < rcategs; j++) sum += marginal[i][j]; for (j = 0; j < rcategs; j++) marginal[i][j] /= sum; } fprintf(outfile, "Most probable category at each site if > 0.95"); fprintf(outfile, " probability (\".\" otherwise)\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) if (marginal[i][j] > sum) { sum = marginal[i][j]; mm = j; } if (sum >= 0.95) fprintf(outfile, "%ld", mm+1); else putc('.', outfile); if ((i+1) % 60 == 0) { if (i != 0) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } } else if ((i+1) % 10 == 0) putc(' ', outfile); } putc('\n', outfile); for (i = 0; i < sites; i++) free(marginal[i]); free(marginal); } putc('\n', outfile); if (hypstate) { fprintf(outfile, "Probable sequences at interior nodes:\n\n"); fprintf(outfile, " node "); for (i = 0; (i < 13) && (i < ((sites + (sites-1)/10 - 39) / 2)); i++) putc(' ', outfile); fprintf(outfile, "Reconstructed sequence (caps if > 0.95)\n\n"); if (!rctgry || (rcategs == 1)) mx0 = 1; for (i = 0; i < sites; i += 60) { k = i + 59; if (k >= sites) k = sites - 1; rectrav(curtree.start, i, k); rectrav(curtree.start->back, i, k); putc('\n', outfile); mx0 = mx1; } } } /* summarize */ void initpromlnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; malloc_ppheno((*p), endsite, rcategs); nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); malloc_ppheno(*p, endsite, rcategs); (*p)->index = nodei; break; case tip: match_names_to_data(str, nodep, p, spp); break; case iter: (*p)->initialized = false; (*p)->v = initialv; (*p)->iter = true; if ((*p)->back != NULL) (*p)->back->iter = true; break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); (*p)->v = valyew / divisor; (*p)->iter = false; if ((*p)->back != NULL) { (*p)->back->v = (*p)->v; (*p)->back->iter = false; } break; default: /* cases hslength, hsnolength, treewt, unittrwt */ break; /* should never occur */ } } /* initpromlnode */ void dnaml_treeout(node *p) { /* write out file with representation of final tree2 */ /* Only works for bifurcations! */ long i, n, w; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index-1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index-1][i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { putc('(', outtree); col++; dnaml_treeout(p->next->back); putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } dnaml_treeout(p->next->next->back); if (p == curtree.start) { putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } dnaml_treeout(p->back); } putc(')', outtree); col++; } x = p->v; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p == curtree.start) fprintf(outtree, ";\n"); else { fprintf(outtree, ":%*.5f", (int)(w + 7), x); col += w + 8; } } /* dnaml_treeout */ void buildnewtip(long m, tree *tr) { node *p; p = tr->nodep[nextsp + spp - 3]; hookup(tr->nodep[m - 1], p); p->v = initialv; p->back->v = initialv; } /* buildnewtip */ void buildsimpletree(tree *tr) { hookup(tr->nodep[enterorder[0] - 1], tr->nodep[enterorder[1] - 1]); tr->nodep[enterorder[0] - 1]->v = 1.0; tr->nodep[enterorder[0] - 1]->back->v = 1.0; tr->nodep[enterorder[1] - 1]->v = 1.0; tr->nodep[enterorder[1] - 1]->back->v = 1.0; buildnewtip(enterorder[2], tr); insert_(tr->nodep[enterorder[2] - 1]->back, tr->nodep[enterorder[0] - 1], false); } /* buildsimpletree */ void free_all_protx (long nonodes, pointarray treenode) { /* used in proml */ long i, j, k; node *p; /* Zero thru spp are tips, */ for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) free(treenode[i]->protx[j]); free(treenode[i]->protx); } /* The rest are rings (i.e. triads) */ for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]; for (j = 1; j <= 3; j++) { for (k = 0; k < endsite; k++) free(p->protx[k]); free(p->protx); p = p->next; } } } } /* free_all_protx */ void maketree() { long i, j, k, l; long num_sibs; boolean dummy_haslengths, dummy_first, goteof; pointarray dummy_treenode=NULL; long nextnode; node *root, *q, *r; prot_inittable(); if (usertree) { openfile(&intree,INTREE,"input tree file", "r",progname,intreename); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); l0gl = (double *) Malloc(numtrees * sizeof(double)); l0gf = (double **) Malloc(numtrees * sizeof(double *)); for (i=0; i < numtrees; ++i) l0gf[i] = (double *) Malloc(endsite * sizeof(double)); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } which = 1; /* This taken out of tree read, used to be [spp-1], but referring to [0] produces output identical to what the pre-modified dnaml produced. */ while (which <= numtrees) { /* These initializations required each time through the loop since multiple trees require re-initialization */ dummy_haslengths = true; nextnode = 0; dummy_first = true; goteof = false; treeread(intree, &root, dummy_treenode, &goteof, &dummy_first, curtree.nodep, &nextnode, &dummy_haslengths, &grbg, initpromlnode); q = root; r = root; while (!(q->next == root)) q = q->next; q->next = root->next; root = q; chuck(&grbg, r); curtree.nodep[spp] = q; if (goteof && (which <= numtrees)) { /* if we hit the end of the file prematurely */ printf ("\n"); printf ("ERROR: trees missing at end of file.\n"); printf ("\tExpected number of trees:\t\t%ld\n", numtrees); printf ("\tNumber of trees actually in file:\t%ld.\n\n", which - 1); exxit (-1); } curtree.start = curtree.nodep[0]->back; treevaluate(); if (reconsider) { bestyet = UNDEFINED; succeeded = true; while (succeeded) { succeeded = false; rearrange(curtree.start, curtree.start->back); } treevaluate(); } proml_printree(); summarize(); if (trout) { col = 0; dnaml_treeout(curtree.start); } which++; } FClose(intree); putc('\n', outfile); if (!auto_ && numtrees > 1 && weightsum > 1 ) standev2(numtrees, maxwhich, 0, endsite-1, maxlogl, l0gl, l0gf, aliasweight, seed); } else { /* If there's no input user tree, */ for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); if (progress) { printf("\nAdding species:\n"); writename(0, 3, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } nextsp = 3; polishing = false; buildsimpletree(&curtree); curtree.start = curtree.nodep[enterorder[0] - 1]->back; smoothit = improve; nextsp = 4; while (nextsp <= spp) { buildnewtip(enterorder[nextsp - 1], &curtree); bestyet = UNDEFINED; if (smoothit) promlcopy(&curtree, &priortree, nonodes2, rcategs); addtraverse(curtree.nodep[enterorder[nextsp - 1] - 1]->back, curtree.start, true); if (smoothit) promlcopy(&bestree, &curtree, nonodes2, rcategs); else { insert_(curtree.nodep[enterorder[nextsp - 1] - 1]->back, qwhere, true); smoothit = true; for (i = 1; i<=smoothings; i++) { smooth(curtree.start); smooth(curtree.start->back); } smoothit = false; promlcopy(&curtree, &bestree, nonodes2, rcategs); bestyet = curtree.likelihood; } if (progress) { writename(nextsp - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } if (global && nextsp == spp && progress) { printf("Doing global rearrangements\n"); printf(" !"); for (j = 1; j <= (spp - 3); j++) putchar('-'); printf("!\n"); #ifdef WIN32 phyFillScreenColor(); #endif } succeeded = true; while (succeeded) { succeeded = false; if (global && nextsp == spp && progress) { printf(" "); fflush(stdout); } rearrange(curtree.start, curtree.start->back); if (global && nextsp == spp && progress) putchar('\n'); } for (i = spp; i < nextsp + spp - 2; i++) { curtree.nodep[i]->initialized = false; curtree.nodep[i]->next->initialized = false; curtree.nodep[i]->next->next->initialized = false; } if (!smoothit) { smoothit = true; for (i = 1; i<=smoothings; i++) { smooth(curtree.start); smooth(curtree.start->back); } smoothit = false; promlcopy(&curtree, &bestree, nonodes2, rcategs); bestyet = curtree.likelihood; } nextsp++; } if (global && progress) { putchar('\n'); fflush(stdout); #ifdef WIN32 phyFillScreenColor(); #endif } if (njumble > 1) { if (jumb == 1) promlcopy(&bestree, &bestree2, nonodes2, rcategs); else if (bestree2.likelihood < bestree.likelihood) promlcopy(&bestree, &bestree2, nonodes2, rcategs); } if (jumb == njumble) { if (njumble > 1) promlcopy(&bestree2, &curtree, nonodes2, rcategs); curtree.start = curtree.nodep[outgrno - 1]->back; for (i = 0; i < nonodes2; i++) { if (i < spp) curtree.nodep[i]->initialized = false; else { curtree.nodep[i]->initialized = false; curtree.nodep[i]->next->initialized = false; curtree.nodep[i]->next->next->initialized = false; } } treevaluate(); proml_printree(); summarize(); if (trout) { col = 0; dnaml_treeout(curtree.start); } } } if (usertree) { free(l0gl); for (i=0; i < numtrees; i++) free(l0gf[i]); free(l0gf); } for (num_sibs = 0; num_sibs < max_num_sibs; num_sibs++) { for (j = 0; j < rcategs; j++) { for (k = 0; k < categs; k++) { for (l = 0; l < 20; l++) { free(pmatrices[num_sibs][j][k][l]); } free(pmatrices[num_sibs][j][k]); } free(pmatrices[num_sibs][j]); } free(pmatrices[num_sibs]); } if (jumb < njumble) return; free(contribution); free(mp); for (i=0; i < endsite; i++) free(term[i]); free(term); for (i=0; i < endsite; i++) free(slopeterm[i]); free(slopeterm); for (i=0; i < endsite; i++) free(curveterm[i]); free(curveterm); free_all_protx(nonodes2, curtree.nodep); if (!usertree || reconsider) { free_all_protx(nonodes2, bestree.nodep); free_all_protx(nonodes2, priortree.nodep); if (njumble > 1) free_all_protx(nonodes2, bestree2.nodep); } if (progress) { printf("\n\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Tree also written onto file \"%s\"\n", outtreename); putchar('\n'); } } /* maketree */ void clean_up() { /* Free and/or close stuff */ long i; free (rrate); free (probcat); free (rate); /* Seems to require freeing every time... */ for (i = 0; i < spp; i++) { free (y[i]); } free (y); free (nayme); free (enterorder); free (category); free (weight); free (alias); free (ally); free (location); free (aliasweight); free (probmat); free (eigmat); #if 0 /* ???? debug ???? */ freetree2(curtree.nodep, nonodes2); if (! (usertree && !reconsider)) { freetree2(bestree.nodep, nonodes2); freetree2(priortree.nodep, nonodes2); } if (! (njumble <= 1)) freetree2(bestree2.nodep, nonodes2); #endif FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif } /* clean_up */ int main(int argc, Char *argv[]) { /* Protein Maximum Likelihood */ #ifdef MAC argc = 1; /* macsetup("ProML",""); */ argv[0] = "ProML"; #endif init(argc,argv); progname = argv[0]; openfile(&infile,INFILE,"input file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); mulsets = false; datasets = 1; firstset = true; ibmpc = IBMCRT; ansi = ANSICRT; grbg = NULL; doinit(); if (ctgry) openfile(&catfile,CATFILE,"categories file","r",argv[0],catfilename); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file","w",argv[0],outtreename); for (ith = 1; ith <= datasets; ith++) { if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n", ith); printf("\nData set # %ld:\n", ith); } getinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) { max_num_sibs = 0; maketree(); } } clean_up(); printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Protein Maximum Likelihood */ ./arbsrc_9167/GDE/PHYLIP/promlk.c0000644012664100000130000024732411213220011016206 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1986-2000 by the University of Washington and by Joseph Felsenstein. Written by Joseph Felsenstein and Lucas Mix. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define epsilon 0.0001 /* used in makenewv, getthree, update */ #define over 60 typedef long vall[maxcategs]; typedef double contribarr[maxcategs]; #ifndef OLDC /* function prototypes */ void init_protmats(void); void getoptions(void); void makeprotfreqs(void); void allocrest(void); void doinit(void); void inputoptions(void); void input_protdata(long); void makeweights(void); void prot_makevalues(long, pointarray, long, long, sequence, steptr); void getinput(void); void prot_inittable(void); void alloc_pmatrix(long); void make_pmatrix(double **, double **, double **, long, double, double, double *, double **); void prot_nuview(node *); void getthree(node *p, double thigh, double tlow); void makenewv(node *); void update(node *); void smooth(node *); void promlk_add(node *, node *, node *, boolean); void promlk_re_move(node **, node **, boolean); double prot_evaluate(node *); void tryadd(node *, node **, node **); void addpreorder(node *, node *, node *, boolean, boolean); void restoradd(node *, node *, node *, double); void tryrearr(node *, boolean *); void repreorder(node *, boolean *); void rearrange(node **); void nodeinit(node *); void initrav(node *); void travinit(node *); void travsp(node *); void treevaluate(void); void promlk_coordinates(node *, long *); void promlk_drawline(long, double); void promlk_printree(void); void describe(node *); void prot_reconstr(node *, long); void rectrav(node *, long, long); void summarize(void); void promlk_treeout(node *); void initpromlnode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void tymetrav(node *, double *); void free_all_protx(long, pointarray); void maketree(void); void clean_up(void); /* function prototypes */ #endif extern sequence y; double **tbl; Char infilename[100], outfilename[100], intreename[100], outtreename[100], catfilename[100], weightfilename[100]; double *rrate; long sites, weightsum, categs, datasets, ith, njumble, jumb, numtrees; /* sites = number of sites in actual sequences numtrees = number of user-defined trees */ long inseed, inseed0, mx, mx0, mx1; boolean global, jumble, lngths, trout, usertree, weights, rctgry, ctgry, auto_, progress, mulsets, firstset, hypstate, reconsider, smoothit, polishing, justwts, gama, invar, usepam, usejtt; tree curtree, bestree, bestree2; node *qwhere, *grbg; double sumrates, cv, alpha, lambda, lambda1, invarfrac; long *enterorder; steptr aliasweight; double *rate; longer seed; double *probcat; contribarr *contribution; char aachar[26]="ARNDCQEGHILKMFPSTWYVBZX?*-"; char *progname; long rcategs, nonodes2; /* Local variables for maketree, propagated globally for C version: */ long k, maxwhich, col; double like, bestyet, tdelta, lnlike, slope, curv, maxlogl; boolean lastsp, smoothed, succeeded; double *l0gl; double x[3], lnl[3]; double expon1i[maxcategs], expon1v[maxcategs], expon2i[maxcategs], expon2v[maxcategs]; node *there; double **l0gf; Char ch, ch2; vall *mp; /* Variables introduced to allow for protein probability calculations */ long max_num_sibs; /* maximum number of siblings used in a */ /* nuview calculation. determines size */ /* final size of pmatrices */ double *eigmat; /* eig matrix variable */ double **probmat; /* prob matrix variable */ double ****dpmatrix; /* derivative of pmatrix */ double ****ddpmatrix; /* derivative of xpmatrix */ double *****pmatrices; /* matrix of probabilities of protien */ /* conversion. The 5 subscripts refer */ /* to sibs, rcategs, categs, final and */ /* initial states, respectively. */ double freqaa[20]; /* amino acid frequencies */ static double pameigmat[20] = { -0.022091252,-0.019297602, 0.000004760,-0.017477817, -0.016575549,-0.015504543,-0.002112213,-0.002685727, -0.002976402,-0.013440755,-0.012926992,-0.004293227, -0.005356688,-0.011064786,-0.010480731,-0.008760449, -0.007142318,-0.007381851,-0.007806557,-0.008127024 }; static double pamprobmat[20][20] = { {-0.01522976,-0.00746819,-0.13934468, 0.11755315,-0.00212101, 0.01558456,-0.07408235,-0.00322387, 0.01375826, 0.00448826, 0.00154174, 0.02013313,-0.00159183,-0.00069275,-0.00399898, 0.08414055,-0.01188178,-0.00029870, 0.00220371, 0.00042546}, {-0.07765582,-0.00712634,-0.03683209,-0.08065755,-0.00462872, -0.03791039, 0.10642147,-0.00912185, 0.01436308,-0.00133243, 0.00166346, 0.00624657,-0.00003363,-0.00128729,-0.00690319, 0.17442028,-0.05373336,-0.00078751,-0.00038151, 0.01382718}, {-0.08810973,-0.04081786,-0.04066004,-0.04736004,-0.03275406, -0.03761164,-0.05047487,-0.09086213,-0.03269598,-0.03558015, -0.08407966,-0.07970977,-0.01504743,-0.04011920,-0.05182232, -0.07026991,-0.05846931,-0.01016998,-0.03047472,-0.06280511}, { 0.02513756,-0.00578333, 0.09865453, 0.01322314,-0.00310665, 0.05880899,-0.09252443,-0.02986539,-0.03127460, 0.01007539, -0.00360119,-0.01995024, 0.00094940,-0.00145868,-0.01388816, 0.11358341,-0.12127513,-0.00054696,-0.00055627, 0.00417284}, { 0.16517316,-0.00254742,-0.03318745,-0.01984173, 0.00031890, -0.02817810, 0.02661678,-0.01761215, 0.01665112, 0.10513343, -0.00545026, 0.01827470,-0.00207616,-0.00763758,-0.01322808, -0.02202576,-0.07434204, 0.00020593, 0.00119979,-0.10827873}, { 0.16088826, 0.00056313,-0.02579303,-0.00319655, 0.00037228, -0.03193150, 0.01655305,-0.03028640, 0.01367746,-0.11248153, 0.00778371, 0.02675579, 0.00243718, 0.00895470,-0.01729803, -0.02686964,-0.08262584, 0.00011794,-0.00225134, 0.09415650}, {-0.01739295, 0.00572017,-0.00712592,-0.01100922,-0.00870113, -0.00663461,-0.01153857,-0.02248432,-0.00382264,-0.00358612, -0.00139345,-0.00971460,-0.00133312, 0.01927783,-0.01053838, -0.00911362,-0.01010908, 0.09417598, 0.01763850,-0.00955454}, { 0.01728888, 0.01344211, 0.01200836, 0.01857259,-0.17088517, 0.01457592, 0.01997839, 0.02844884, 0.00839403, 0.00196862, 0.01391984, 0.03270465, 0.00347173,-0.01940984, 0.01233979, 0.00542887, 0.01008836, 0.00126491,-0.02863042, 0.00449764}, {-0.02881366,-0.02184155,-0.01566086,-0.02593764,-0.04050907, -0.01539603,-0.02576729,-0.05089606,-0.00597430, 0.02181643, 0.09835597,-0.04040940, 0.00873512, 0.12139434,-0.02427882, -0.02945238,-0.01566867,-0.01606503, 0.09475319, 0.02238670}, { 0.04080274,-0.02869626,-0.05191093,-0.08435843, 0.00021141, 0.13043842, 0.00871530, 0.00496058,-0.02797641,-0.00636933, 0.02243277, 0.03640362,-0.05735517, 0.00196918,-0.02218934, -0.00608972, 0.02872922, 0.00047619, 0.00151285, 0.00883489}, {-0.02623824, 0.00331152, 0.03640692, 0.04260231,-0.00038223, -0.07480340,-0.01022492,-0.00426473, 0.01448116, 0.01456847, 0.05786680, 0.03368691,-0.10126924,-0.00147454, 0.01275395, 0.00017574,-0.01585206,-0.00015767,-0.00231848, 0.02310137}, {-0.00846258,-0.01508106,-0.01967505,-0.02772004, 0.01248253, -0.01331243,-0.02569382,-0.04461524,-0.02207075, 0.04663443, 0.19347923,-0.02745691, 0.02288515,-0.04883849,-0.01084597, -0.01947187,-0.00081675, 0.00516540,-0.07815919, 0.08035585}, {-0.06553111, 0.09756831, 0.00524326,-0.00885098, 0.00756653, 0.02783099,-0.00427042,-0.16680359, 0.03951331,-0.00490540, 0.01719610, 0.15018204, 0.00882722,-0.00423197,-0.01919217, -0.02963619,-0.01831342,-0.00524338, 0.00011379,-0.02566864}, {-0.07494341,-0.11348850, 0.00241343,-0.00803016, 0.00492438, 0.00711909,-0.00829147, 0.05793337, 0.02734209, 0.02059759, -0.02770280, 0.14128338, 0.01532479, 0.00364307, 0.05968116, -0.06497960,-0.08113941, 0.00319445,-0.00104222, 0.03553497}, { 0.05948223,-0.08959930, 0.03269977,-0.03272374,-0.00365667, -0.03423294,-0.06418925,-0.05902138, 0.05746317,-0.02580596, 0.01259572, 0.05848832, 0.00672666, 0.00233355,-0.05145149, 0.07348503, 0.11427955, 0.00142592,-0.01030651,-0.04862799}, {-0.01606880, 0.05200845,-0.01212967,-0.06824429,-0.00234304, 0.01094203,-0.07375538, 0.08808629, 0.12394822, 0.02231351, -0.03608265,-0.06978045,-0.00618360, 0.00274747,-0.01921876, -0.01541969,-0.02223856,-0.00107603,-0.01251777, 0.05412534}, { 0.01688843, 0.05784728,-0.02256966,-0.07072251,-0.00422551, -0.06261233,-0.08502830, 0.08925346,-0.08529597, 0.01519343, -0.05008258, 0.10931873, 0.00521033, 0.02593305,-0.00717855, 0.02291527, 0.02527388,-0.00266188,-0.00871160, 0.02708135}, {-0.04233344, 0.00076379, 0.01571257, 0.04003092, 0.00901468, 0.00670577, 0.03459487, 0.12420216,-0.00067366,-0.01515094, 0.05306642, 0.04338407, 0.00511287, 0.01036639,-0.17867462, -0.02289440,-0.03213205, 0.00017924,-0.01187362,-0.03933874}, { 0.01284817,-0.01685622, 0.00724363, 0.01687952,-0.00882070, -0.00555957, 0.01676246,-0.05560456,-0.00966893, 0.06197684, -0.09058758, 0.00880607, 0.00108629,-0.08308956,-0.08056832, -0.00413297, 0.02973107, 0.00092948, 0.07010111, 0.13007418}, { 0.00700223,-0.01347574, 0.00691332, 0.03122905, 0.00310308, 0.00946862, 0.03455040,-0.06712536,-0.00304506, 0.04267941, -0.10422292,-0.01127831,-0.00549798, 0.11680505,-0.03352701, -0.00084536, 0.01631369, 0.00095063,-0.09570217, 0.06480321} }; /* this jtt matrix decomposition due to Elisabeth Tillier */ static double jtteigmat[] = {0.0, -0.007031123, -0.006484345, -0.006086499, -0.005514432, -0.00772664, -0.008643413, -0.010620756, -0.009965552, -0.011671808, -0.012222418,-0.004589201, -0.013103714, -0.014048038, -0.003170582, -0.00347935, -0.015311677, -0.016021194, -0.017991454, -0.018911888}; static double jttprobmat[20][20] = {{0.076999996, 0.051000003, 0.043000004, 0.051999998, 0.019999996, 0.041, 0.061999994, 0.073999997, 0.022999999, 0.052000004, 0.090999997, 0.058999988, 0.024000007, 0.04, 0.050999992, 0.069, 0.059000006, 0.014000008, 0.032000004, 0.066000005}, {0.015604455, -0.068062363, 0.020106264, 0.070723273, 0.011702977, 0.009674053, 0.074000798, -0.169750458, 0.005560808, -0.008208636, -0.012305869, -0.063730179, -0.005674643, -0.02116828, 0.104586169, 0.016480839, 0.016765139, 0.005936994, 0.006046367, -0.0082877}, {-0.049778281, -0.007118197, 0.003801272, 0.070749616, 0.047506147, 0.006447017, 0.090522425, -0.053620432, -0.008508175, 0.037170603, 0.051805545, 0.015413608, 0.019939916, -0.008431976, -0.143511376, -0.052486072, -0.032116542, -0.000860626, -0.02535993, 0.03843545}, {-0.028906423, 0.092952047, -0.009615343, -0.067870117, 0.031970392, 0.048338335, -0.054396304, -0.135916654, 0.017780083, 0.000129242, 0.031267424, 0.116333586, 0.007499746, -0.032153596, 0.033517051, -0.013719269, -0.00347293, -0.003291821, -0.02158326, -0.008862168}, {0.037181176, -0.023106564, -0.004482225, -0.029899635, 0.118139633, -0.032298569, -0.04683198, 0.05566988, -0.012622847, 0.002023096, -0.043921088, -0.04792557, -0.003452711, -0.037744513, 0.020822974, 0.036580187, 0.02331425, -0.004807711, -0.017504496, 0.01086673}, {0.044754061, -0.002503471, 0.019452517, -0.015611487, -0.02152807, -0.013131425, -0.03465365, -0.047928912, 0.020608851, 0.067843095, -0.122130014, 0.002521499, 0.013021646, -0.082891087, -0.061590119, 0.016270856, 0.051468938, 0.002079063, 0.081019713, 0.082927944}, {0.058917882, 0.007320741, 0.025278141, 0.000357541, -0.002831285, -0.032453034, -0.010177288, -0.069447924, -0.034467324, 0.011422358, -0.128478324, 0.04309667, -0.015319944, 0.113302422, -0.035052393, 0.046885372, 0.06185183, 0.00175743, -0.06224497, 0.020282093}, {-0.014562092, 0.022522921, -0.007094389, 0.03480089, -0.000326144, -0.124039037, 0.020577906, -0.005056454, -0.081841576, -0.004381786, 0.030826152, 0.091261631, 0.008878828, -0.02829487, 0.042718836, -0.011180886, -0.012719227, -0.000753926, 0.048062375, -0.009399129}, {0.033789571, -0.013512235, 0.088010984, 0.017580292, -0.006608005, -0.037836971, -0.061344686, -0.034268357, 0.018190209, -0.068484614, 0.120024744, -0.00319321, -0.001349477, -0.03000546, -0.073063759, 0.081912399, 0.0635245, 0.000197, -0.002481798, -0.09108114}, {-0.113947615, 0.019230545, 0.088819683, 0.064832765, 0.001801467, -0.063829682, -0.072001633, 0.018429333, 0.057465965, 0.043901014, -0.048050874, -0.001705918, 0.022637173, 0.017404665, 0.043877902, -0.017089594, -0.058489485, 0.000127498, -0.029357194, 0.025943972}, {0.01512923, 0.023603725, 0.006681954, 0.012360216, -0.000181447, -0.023011838, -0.008960024, -0.008533239, 0.012569835, 0.03216118, 0.061986403, -0.001919083, -0.1400832, -0.010669741, -0.003919454, -0.003707024, -0.026806029, -0.000611603, -0.001402648, 0.065312824}, {-0.036405351, 0.020816769, 0.011408213, 0.019787053, 0.038897829, 0.017641789, 0.020858533, -0.006067252, 0.028617353, -0.064259496, -0.081676567, 0.024421823, -0.028751676, 0.07095096, -0.024199434, -0.007513119, -0.028108766, -0.01198095, 0.111761119, -0.076198809}, {0.060831772, 0.144097327, -0.069151377, 0.023754576, -0.003322955, -0.071618574, 0.03353154, -0.02795295, 0.039519769, -0.023453968, -0.000630308, -0.098024591, 0.017672997, 0.003813378, -0.009266499, -0.011192111, 0.016013873, -0.002072968, -0.010022044, -0.012526904}, {-0.050776604, 0.092833081, 0.044069596, 0.050523021, -0.002628417, 0.076542572, -0.06388631, -0.00854892, -0.084725311, 0.017401063, -0.006262541, -0.094457679, -0.002818678, -0.0044122, -0.002883973, 0.028729685, -0.004961596, -0.001498627, 0.017994575, -0.000232779}, {-0.01894566, -0.007760205, -0.015160993, -0.027254587, 0.009800903, -0.013443561, -0.032896517, -0.022734138, -0.001983861, 0.00256111, 0.024823166, -0.021256768, 0.001980052, 0.028136263, -0.012364384, -0.013782446, -0.013061091, 0.111173981, 0.021702122, 0.00046654}, {-0.009444193, -0.042106824, -0.02535015, -0.055125574, 0.006369612, -0.02945416, -0.069922064, -0.067221068, -0.003004999, 0.053624311, 0.128862984, -0.057245803, 0.025550508, 0.087741073, -0.001119043, -0.012036202, -0.000913488, -0.034864475, 0.050124813, 0.055534723}, {0.145782464, -0.024348311, -0.031216873, 0.106174443, 0.00202862, 0.02653866, -0.113657267, -0.00755018, 0.000307232, -0.051241158, 0.001310685, 0.035275877, 0.013308898, 0.002957626, -0.002925034, -0.065362319, -0.071844582, 0.000475894, -0.000112419, 0.034097762}, {0.079840455, 0.018769331, 0.078685899, -0.084329807, -0.00277264, -0.010099754, 0.059700608, -0.019209715, -0.010442992, -0.042100476, -0.006020556, -0.023061786, 0.017246106, -0.001572858, -0.006703785, 0.056301316, -0.156787357, -0.000303638, 0.001498195, 0.051363455}, {0.049628261, 0.016475144, 0.094141653, -0.04444633, 0.005206131, -0.001827555, 0.02195624, 0.013066683, -0.010415582, -0.022338403, 0.007837197, -0.023397671, -0.002507095, 0.005177694, 0.017109561, -0.202340113, 0.069681441, 0.000120736, 0.002201146, 0.004670849}, {0.089153689, 0.000233354, 0.010826822, -0.004273519, 0.001440618, 0.000436077, 0.001182351, -0.002255508, -0.000700465, 0.150589876, -0.003911914, -0.00050154, -0.004564983, 0.00012701, -0.001486973, -0.018902754, -0.054748555, 0.000217377, -0.000319302, -0.162541651}}; void init_protmats() { long l, m; eigmat = (double *) Malloc (20 * sizeof(double)); for (l = 0; l <= 19; l++) if (usejtt) eigmat[l] = jtteigmat[l]; else eigmat[l] = pameigmat[l]; probmat = (double **) Malloc (20 * sizeof(double *)); for (l = 0; l < 20; l++) probmat[l] = (double *) Malloc (20 * sizeof(double)); for (l = 0; l <= 19; l++) for (m= 0; m <= 19; m++) if (usejtt) probmat[l][m] = jttprobmat[l][m]; else probmat[l][m] = pamprobmat[l][m]; } /* init_protmats */ void getoptions() { /* interactively set options */ long i, loopcount, loopcount2; Char ch; boolean done; boolean didchangecat, didchangercat; double probsum; fprintf(outfile, "\nAmino acid sequence\n"); fprintf(outfile, " Maximum Likelihood method with molecular "); fprintf(outfile, "clock, version %s\n\n", VERSION); putchar('\n'); auto_ = false; ctgry = false; didchangecat = false; rctgry = false; didchangercat = false; categs = 1; rcategs = 1; gama = false; global = false; hypstate = false; invar = false; jumble = false; njumble = 1; lambda = 1.0; lambda1 = 0.0; lngths = false; trout = true; usepam = false; usejtt = true; usertree = false; weights = false; printdata = false; progress = true; treeprint = true; interleaved = true; init_protmats(); loopcount = 0; do { cleerhome(); printf("\nAmino acid sequence\n"); printf(" Maximum Likelihood method with molecular clock, version %s\n\n", VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree?"); if (usertree) printf(" No, use user trees in input file\n"); else printf(" Yes\n"); printf(" P JTT or PAM amino acid change model? %s\n", (usejtt ? "Jones-Taylor-Thornton model" : "Dayhoff PAM model")); if (usertree) { printf(" L Use lengths from user tree?"); if (lngths) printf(" Yes\n"); else printf(" No\n"); } printf(" C One category of substitution rates?"); if (!ctgry) printf(" Yes\n"); else printf(" %ld categories\n", categs); printf(" R Rate variation among sites?"); if (!rctgry) printf(" constant rate of change\n"); else { if (gama) printf(" Gamma distributed rates\n"); else { if (invar) printf(" Gamma+Invariant sites\n"); else printf(" user-defined HMM of rates\n"); } printf(" A Rates at adjacent sites correlated?"); if (!auto_) printf(" No, they are independent\n"); else printf(" Yes, mean block length =%6.1f\n", 1.0 / lambda); } if (!usertree) { printf(" G Global rearrangements?"); if (global) printf(" Yes\n"); else printf(" No\n"); } printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); if (!usertree) { printf(" J Randomize input order of sequences?"); if (jumble) printf(" Yes (seed = %8ld, %3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", datasets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved?"); if (interleaved) printf(" Yes\n"); else printf(" No, sequential\n"); printf(" 0 Terminal type (IBM PC, ANSI, none)?"); if (ibmpc) printf(" IBM PC\n"); if (ansi) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" 1 Print out the data at start of run"); if (printdata) printf(" Yes\n"); else printf(" No\n"); printf(" 2 Print indications of progress of run"); if (progress) printf(" Yes\n"); else printf(" No\n"); printf(" 3 Print out tree"); if (treeprint) printf(" Yes\n"); else printf(" No\n"); printf(" 4 Write out trees onto tree file?"); if (trout) printf(" Yes\n"); else printf(" No\n"); printf(" 5 Reconstruct hypothetical sequences? %s\n", (hypstate ? "Yes" : "No")); printf("\nAre these settings correct? "); printf("(type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); done = (ch == 'Y'); if (!done) { uppercase(&ch); if (strchr("UPCRJAFWGLTMI012345", ch) != NULL){ switch (ch) { case 'C': ctgry = !ctgry; if (ctgry) { printf("\nSitewise user-assigned categories:\n\n"); initcatn(&categs); if (rate){ free(rate); } rate = (double *) Malloc( categs * sizeof(double)); didchangecat = true; initcategs(categs, rate); } break; case 'P': if (usejtt) { usejtt = false; usepam = true; } else { usepam = false; usejtt = true; } break; case 'R': if (!rctgry) { rctgry = true; gama = true; } else { if (gama) { gama = false; invar = true; } else { if (invar) invar = false; else rctgry = false; } } break; case 'A': auto_ = !auto_; if (auto_) { initlambda(&lambda); lambda1 = 1.0 - lambda; } break; case 'G': global = !global; break; case 'W': weights = !weights; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': lngths = !lngths; break; case 'U': usertree = !usertree; break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&datasets); else initdatasets(&datasets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; case '5': hypstate = !hypstate; break; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); if (gama || invar) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among sites (must be positive)\n"); printf( " In gamma distribution parameters, this is 1/(square root of alpha)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%lf%*[^\n]", &cv); getchar(); countup(&loopcount, 10); } while (cv <= 0.0); alpha = 1.0 / (cv * cv); } if (!rctgry) auto_ = false; if (rctgry) { printf("\nRates in HMM"); if (invar) printf(" (including one for invariant sites)"); printf(":\n"); initcatn(&rcategs); if (probcat){ free(probcat); free(rrate); } probcat = (double *) Malloc(rcategs * sizeof(double)); rrate = (double *) Malloc(rcategs * sizeof(double)); didchangercat = true; if (gama) initgammacat(rcategs, alpha, rrate, probcat); else { if (invar) { loopcount = 0; do { printf("Fraction of invariant sites?\n"); scanf("%lf%*[^\n]", &invarfrac); getchar(); countup (&loopcount, 10); } while ((invarfrac <= 0.0) || (invarfrac >= 1.0)); initgammacat(rcategs-1, alpha, rrate, probcat); for (i = 0; i < rcategs-1; i++) probcat[i] = probcat[i]*(1.0-invarfrac); probcat[rcategs-1] = invarfrac; rrate[rcategs-1] = 0.0; } else { initcategs(rcategs, rrate); initprobcat(rcategs, &probsum, probcat); } } } if (!didchangercat){ rrate = Malloc( rcategs*sizeof(double)); probcat = Malloc( rcategs*sizeof(double)); rrate[0] = 1.0; probcat[0] = 1.0; } if (!didchangecat){ rate = Malloc( categs*sizeof(double)); rate[0] = 1.0; } } /* getoptions */ void makeprotfreqs() { /* calculate amino acid frequencies based on eigmat */ long i, mineig; mineig = 0; for (i = 0; i <= 19; i++) if (fabs(eigmat[i]) < fabs(eigmat[mineig])) mineig = i; memcpy(freqaa, probmat[mineig], 20 * sizeof(double)); for (i = 0; i <= 19; i++) freqaa[i] = fabs(freqaa[i]); } /* makeprotfreqs */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); nayme = (naym *)Malloc(spp*sizeof(naym)); for (i = 0; i < spp; i++) y[i] = (char *)Malloc(sites * sizeof(char)); enterorder = (long *)Malloc(spp*sizeof(long)); weight = (long *)Malloc(sites*sizeof(long)); category = (long *)Malloc(sites*sizeof(long)); alias = (long *)Malloc(sites*sizeof(long)); aliasweight = (long *)Malloc(sites*sizeof(long)); ally = (long *)Malloc(sites*sizeof(long)); location = (long *)Malloc(sites*sizeof(long)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &sites, &nonodes, 1); getoptions(); makeprotfreqs(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites); alloctree(&curtree.nodep, nonodes, usertree); allocrest(); if (usertree) return; alloctree(&bestree.nodep, nonodes, 0); if (njumble <= 1) return; alloctree(&bestree2.nodep, nonodes, 0); } /* doinit */ void inputoptions() { long i; if (!firstset) samenumsp(&sites, ith); if (firstset) { for (i = 0; i < sites; i++) category[i] = 1; for (i = 0; i < sites; i++) weight[i] = 1; } if (justwts || weights) inputweights(sites, weight, &weights); weightsum = 0; for (i = 0; i < sites; i++) weightsum += weight[i]; if ((ctgry && categs > 1) && (firstset || !justwts)) { inputcategs(0, sites, category, categs, "ProMLK"); if (printdata) printcategs(outfile, sites, category, "Site categories"); } if (weights && printdata) printweights(outfile, 0, sites, weight, "Sites"); fprintf(outfile, "%s model of amino acid change\n\n", (usejtt ? "Jones-Taylor-Thornton" : "Dayhoff PAM")); } /* inputoptions */ void input_protdata(long chars) { /* input the names and sequences for each species */ /* used by proml */ long i, j, k, l, basesread, basesnew; Char charstate; boolean allread, done; if (printdata) headings(chars, "Sequences", "---------"); basesread = 0; basesnew = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp) { if ((interleaved && basesread == 0) || !interleaved) initname(i - 1); j = (interleaved) ? basesread : 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < chars && !(eoln(infile) || eoff(infile))) { charstate = gettc(infile); if (charstate == '\n') charstate = ' '; if (charstate == ' ' || (charstate >= '0' && charstate <= '9')) continue; uppercase(&charstate); if ((strchr("ABCDEFGHIKLMNPQRSTVWXYZ*?-", charstate)) == NULL){ printf("ERROR: bad amino acid: %c at position %ld of species %ld\n", charstate, j, i); if (charstate == '.') { printf(" Periods (.) may not be used as gap characters.\n"); printf(" The correct gap character is (-)\n"); } exxit(-1); } j++; y[i - 1][j - 1] = charstate; } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) basesnew = j; scan_eoln(infile); if ((interleaved && j != basesnew) || (!interleaved && j != chars)) { printf("ERROR: SEQUENCES OUT OF ALIGNMENT AT POSITION %ld.\n", j); exxit(-1); } i++; } if (interleaved) { basesread = basesnew; allread = (basesread == chars); } else allread = (i > spp); } if (!printdata) return; for (i = 1; i <= ((chars - 1) / 60 + 1); i++) { for (j = 1; j <= spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j - 1][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > chars) l = chars; for (k = (i - 1) * 60 + 1; k <= l; k++) { if (j > 1 && y[j - 1][k - 1] == y[0][k - 1]) charstate = '.'; else charstate = y[j - 1][k - 1]; putc(charstate, outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } /* input_protdata */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i - 1] = i; ally[i - 1] = 0; aliasweight[i - 1] = weight[i - 1]; location[i - 1] = 0; } sitesort2(sites, aliasweight); sitecombine2(sites, aliasweight); sitescrunch2(sites, 1, 2, aliasweight); for (i = 1; i <= sites; i++) { if (aliasweight[i - 1] > 0) endsite = i; } for (i = 1; i <= endsite; i++) { ally[alias[i - 1] - 1] = alias[i - 1]; location[alias[i - 1] - 1] = i; } mp = (vall *) Malloc(sites*sizeof(vall)); contribution = (contribarr *) Malloc( endsite*sizeof(contribarr)); } /* makeweights */ void prot_makevalues(long categs, pointarray treenode, long endsite, long spp, sequence y, steptr alias) { /* set up fractional likelihoods at tips */ /* a version of makevalues2 found in seq.c */ /* used by proml */ long i, j, k, l; long b; for (k = 0; k < endsite; k++) { j = alias[k]; for (i = 0; i < spp; i++) { for (l = 0; l < categs; l++) { memset(treenode[i]->protx[k][l], 0, sizeof(double)*20); switch (y[i][j - 1]) { case 'A': treenode[i]->protx[k][l][0] = 1.0; break; case 'R': treenode[i]->protx[k][l][(long)arginine - (long)alanine] = 1.0; break; case 'N': treenode[i]->protx[k][l][(long)asparagine - (long)alanine] = 1.0; break; case 'D': treenode[i]->protx[k][l][(long)aspartic - (long)alanine] = 1.0; break; case 'C': treenode[i]->protx[k][l][(long)cysteine - (long)alanine] = 1.0; break; case 'Q': treenode[i]->protx[k][l][(long)glutamine - (long)alanine] = 1.0; break; case 'E': treenode[i]->protx[k][l][(long)glutamic - (long)alanine] = 1.0; break; case 'G': treenode[i]->protx[k][l][(long)glycine - (long)alanine] = 1.0; break; case 'H': treenode[i]->protx[k][l][(long)histidine - (long)alanine] = 1.0; break; case 'I': treenode[i]->protx[k][l][(long)isoleucine - (long)alanine] = 1.0; break; case 'L': treenode[i]->protx[k][l][(long)leucine - (long)alanine] = 1.0; break; case 'K': treenode[i]->protx[k][l][(long)lysine - (long)alanine] = 1.0; break; case 'M': treenode[i]->protx[k][l][(long)methionine - (long)alanine] = 1.0; break; case 'F': treenode[i]->protx[k][l][(long)phenylalanine - (long)alanine] = 1.0; break; case 'P': treenode[i]->protx[k][l][(long)proline - (long)alanine] = 1.0; break; case 'S': treenode[i]->protx[k][l][(long)serine - (long)alanine] = 1.0; break; case 'T': treenode[i]->protx[k][l][(long)threonine - (long)alanine] = 1.0; break; case 'W': treenode[i]->protx[k][l][(long)tryptophan - (long)alanine] = 1.0; break; case 'Y': treenode[i]->protx[k][l][(long)tyrosine - (long)alanine] = 1.0; break; case 'V': treenode[i]->protx[k][l][(long)valine - (long)alanine] = 1.0; break; case 'B': treenode[i]->protx[k][l][(long)asparagine - (long)alanine] = 1.0; treenode[i]->protx[k][l][(long)aspartic - (long)alanine] = 1.0; break; case 'Z': treenode[i]->protx[k][l][(long)glutamine - (long)alanine] = 1.0; treenode[i]->protx[k][l][(long)glutamic - (long)alanine] = 1.0; break; case 'X': /* unknown aa */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; case '?': /* unknown aa */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; case '*': /* stop codon symbol */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; case '-': /* deletion event-absent data or aa */ for (b = 0; b <= 19; b++) treenode[i]->protx[k][l][b] = 1.0; break; } } } } } /* prot_makevalues */ void getinput() { long grcategs; /* reads the input data */ if (!justwts || firstset) inputoptions(); if (!justwts || firstset) input_protdata(sites); makeweights(); setuptree2(curtree); if (!usertree) { setuptree2(bestree); if (njumble > 1) setuptree2(bestree2); } grcategs = (categs > rcategs) ? categs : rcategs; prot_allocx(nonodes, grcategs, curtree.nodep, usertree); if (!usertree) { prot_allocx(nonodes, grcategs, bestree.nodep, 0); if (njumble > 1) prot_allocx(nonodes, grcategs, bestree2.nodep, 0); } prot_makevalues(rcategs, curtree.nodep, endsite, spp, y, alias); } /* getinput */ void prot_inittable() { /* Define a lookup table. Precompute values and print them out in tables */ /* Allocate memory for the pmatrices, dpmatices and ddpmatrices */ long i, j, k, l; double sumrates; /* Allocate memory for pmatrices, the array of pointers to pmatrices */ pmatrices = (double *****) Malloc (spp * sizeof(double ****)); /* Allocate memory for the first 2 pmatrices, the matrix of conversion */ /* probabilities, but only once per run (aka not on the second jumble. */ alloc_pmatrix(0); alloc_pmatrix(1); /* Allocate memory for one dpmatrix, the first derivative matrix */ dpmatrix = (double ****) Malloc( rcategs * sizeof(double ***)); for (j = 0; j < rcategs; j++) { dpmatrix[j] = (double ***) Malloc( categs * sizeof(double **)); for (k = 0; k < categs; k++) { dpmatrix[j][k] = (double **) Malloc( 20 * sizeof(double *)); for (l = 0; l < 20; l++) dpmatrix[j][k][l] = (double *) Malloc( 20 * sizeof(double)); } } /* Allocate memory for one ddpmatrix, the second derivative matrix */ ddpmatrix = (double ****) Malloc( rcategs * sizeof(double ***)); for (j = 0; j < rcategs; j++) { ddpmatrix[j] = (double ***) Malloc( categs * sizeof(double **)); for (k = 0; k < categs; k++) { ddpmatrix[j][k] = (double **) Malloc( 20 * sizeof(double *)); for (l = 0; l < 20; l++) ddpmatrix[j][k][l] = (double *) Malloc( 20 * sizeof(double)); } } /* Allocate memory and assign values to tbl, the matrix of possible rates*/ tbl = (double **) Malloc( rcategs * sizeof(double *)); for (j = 0; j < rcategs; j++) tbl[j] = (double *) Malloc( categs * sizeof(double)); for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) tbl[j][k] = rrate[j]*rate[k]; sumrates = 0.0; for (i = 0; i < endsite; i++) { for (j = 0; j < rcategs; j++) sumrates += aliasweight[i] * probcat[j] * tbl[j][category[alias[i] - 1] - 1]; } sumrates /= (double)sites; for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) { tbl[j][k] /= sumrates; } if (gama || invar) { fprintf(outfile, "\nDiscrete approximation to gamma distributed rates\n"); fprintf(outfile, " Coefficient of variation of rates = %f (alpha = %f)\n", cv, alpha); } if (rcategs > 1) { fprintf(outfile, "\nState in HMM Rate of change Probability\n\n"); for (i = 0; i < rcategs; i++) if (probcat[i] < 0.0001) fprintf(outfile, "%9ld%16.3f%20.6f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.001) fprintf(outfile, "%9ld%16.3f%19.5f\n", i+1, rrate[i], probcat[i]); else if (probcat[i] < 0.01) fprintf(outfile, "%9ld%16.3f%18.4f\n", i+1, rrate[i], probcat[i]); else fprintf(outfile, "%9ld%16.3f%17.3f\n", i+1, rrate[i], probcat[i]); putc('\n', outfile); if (auto_) { fprintf(outfile, "Expected length of a patch of sites having the same rate = %8.3f\n", 1/lambda); putc('\n', outfile); } } if (categs > 1) { fprintf(outfile, "\nSite category Rate of change\n\n"); for (k = 0; k < categs; k++) fprintf(outfile, "%9ld%16.3f\n", k+1, rate[k]); fprintf(outfile, "\n\n"); } } /* prot_inittable */ void alloc_pmatrix(long sib) { /* Allocate memory for a new pmatrix. Called iff num_sibs>max_num_sibs */ long j, k, l; double ****temp_matrix; temp_matrix = (double ****) Malloc (rcategs * sizeof(double ***)); for (j = 0; j < rcategs; j++) { temp_matrix[j] = (double ***) Malloc(categs * sizeof(double **)); for (k = 0; k < categs; k++) { temp_matrix[j][k] = (double **) Malloc(20 * sizeof (double *)); for (l = 0; l < 20; l++) temp_matrix[j][k][l] = (double *) Malloc(20 * sizeof(double)); } } pmatrices[sib] = temp_matrix; max_num_sibs++; } /* alloc_pmatrix */ void make_pmatrix(double **matrix, double **dmat, double **ddmat, long derivative, double lz, double rat, double *eigmat, double **probmat) { /* Computes the R matrix such that matrix[m][l] is the joint probability */ /* of m and l. */ /* Computes a P matrix such that matrix[m][l] is the conditional */ /* probability of m given l. This is accomplished by dividing all terms */ /* in the R matrix by freqaa[m], the frequency of l. */ long k, l, m; /* (l) original character state */ /* (m) final character state */ /* (k) lambda counter */ double p0, p1, p2, q; double elambdat[20], delambdat[20], ddelambdat[20]; /* exponential term for matrix */ /* and both derivative matrices */ for (k = 0; k <= 19; k++) { elambdat[k] = exp(lz * rat * eigmat[k]); if(derivative != 0) { delambdat[k] = (elambdat[k] * rat * eigmat[k]); ddelambdat[k] = (delambdat[k] * rat * eigmat[k]); } } for (m = 0; m <= 19; m++) { for (l = 0; l <= 19; l++) { p0 = 0.0; p1 = 0.0; p2 = 0.0; for (k = 0; k <= 19; k++) { q = probmat[k][m] * probmat[k][l]; p0 += (q * elambdat[k]); if(derivative !=0) { p1 += (q * delambdat[k]); p2 += (q * ddelambdat[k]); } } matrix[m][l] = p0 / freqaa[m]; if(derivative != 0) { dmat[m][l] = p1 / freqaa[m]; ddmat[m][l] = p2 / freqaa[m]; } } } } /* make_pmatrix */ void prot_nuview(node *p) { long b, i, j, k, l, m, num_sibs, sib_index; node *sib_ptr, *sib_back_ptr; psitelike prot_xx, x2; double lw, prod7; double **pmat; /* Figure out how many siblings the current node has */ /* and be sure that pmatrices is large enough */ num_sibs = count_sibs(p); for (i = 0; i < num_sibs; i++) if (pmatrices[i] == NULL) alloc_pmatrix(i); /* Recursive calls, should be called for all children */ sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (!(sib_back_ptr == NULL)) if (!sib_back_ptr->tip && !sib_back_ptr->initialized) prot_nuview(sib_back_ptr); } /* Make pmatrices for all possible combinations of category, rcateg */ /* and sib */ sib_ptr = p; /* return to p */ for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr != NULL) lw = fabs(p->tyme - sib_back_ptr->tyme); else lw = 0.0; for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) make_pmatrix(pmatrices[sib_index][j][k], NULL, NULL, 0, lw, tbl[j][k], eigmat, probmat); } for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { /* initialize to 1 all values of prot_xx */ for (m = 0; m <= 19; m++) prot_xx[m] = 1; sib_ptr = p; /* return to p */ /* loop through all sibs and calculate likelihoods for all possible*/ /* amino acid combinations */ for (sib_index=0; sib_index < num_sibs; sib_index++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr != NULL) memcpy(x2, sib_back_ptr->protx[i][j], sizeof(psitelike)); else for (b = 0; b <= 19; b++) x2[b] = 1.0; pmat = pmatrices[sib_index][j][k]; for (m = 0; m <= 19; m++) { prod7 = 0; for (l = 0; l <= 19; l++) prod7 += (pmat[m][l] * x2[l]); prot_xx[m] *= prod7; } } /* And the final point of this whole function: */ memcpy(p->protx[i][j], prot_xx, sizeof(psitelike)); } } p->initialized = true; } /* prot_nuview */ void getthree(node *p, double thigh, double tlow) { /* compute likelihood at a new triple of points */ int i; double tt = p->tyme; double td = fabs(tdelta); x[0] = tt - td; x[1] = tt; x[2] = tt + td; if ( x[0] < tlow + epsilon ) { x[0] = tlow + epsilon; x[1] = ( x[0] + x[2] ) / 2; } if ( x[2] > thigh - epsilon ) { x[2] = thigh - epsilon; x[1] = ( x[0] + x[2] ) / 2; } for ( i = 0 ; i < 3 ; i++ ) { p->tyme = x[i]; prot_nuview(p); lnl[i] = prot_evaluate(p); } } /* getthree */ void makenewv(node *p) { /* improve a node time */ long it, imin, imax, i, num_sibs; double tt, tfactor, tlow, thigh, oldlike, ymin, ymax, s32, s21, yold; boolean done, already; node *s, *sdown, *sib_ptr, *sib_back_ptr; s = curtree.nodep[p->index - 1]; sdown = s->back; if (s == curtree.root) tlow = -10.0; else tlow = sdown->tyme; sib_ptr = s; num_sibs = count_sibs(p); thigh = s->next->back->tyme; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr->tyme < thigh) thigh = sib_back_ptr->tyme; } done = (thigh - tlow < 4.0*epsilon); it = 1; if (s != curtree.root) tdelta = (thigh - tlow) / 10.0; else tdelta = (thigh - s->tyme) / 5.0; tfactor = 1.0; if (!done) getthree(s, thigh, tlow); while (it < iterations && !done) { tt = s->tyme; ymax = lnl[0]; imax = 1; for (i = 2; i <= 3; i++) { if (lnl[i - 1] > ymax) { ymax = lnl[i - 1]; imax = i; } } if (imax != 2) { ymax = x[1]; x[1] = x[imax - 1]; x[imax - 1] = ymax; ymax = lnl[1]; lnl[1] = lnl[imax - 1]; lnl[imax - 1] = ymax; } tt = x[1]; oldlike = lnl[1]; yold = tt; s32 = (lnl[2] - lnl[1]) / (x[2] - x[1]); s21 = (lnl[1] - lnl[0]) / (x[1] - x[0]); if (fabs(x[2] - x[0]) > epsilon) curv = (s32 - s21) / ((x[2] - x[0]) / 2); else curv = 0.0; slope = (s32 + s21) / 2 - curv * (x[2] - 2 * x[1] + x[0]) / 4; if (curv >= 0.0) { if (slope < 0) tdelta = -fabs(tdelta); else tdelta = fabs(tdelta); } else tdelta = -(tfactor * slope / curv); if (tt + tdelta <= tlow + epsilon) tdelta = tlow + epsilon - tt; if (tt + tdelta >= thigh - epsilon) tdelta = thigh - epsilon - tt; tt += tdelta; done = (fabs(yold - tt) < epsilon || fabs(tdelta) < epsilon); s->tyme = tt; prot_nuview(s); lnlike = prot_evaluate(s); ymin = lnl[0]; imin = 1; for (i = 2; i <= 3; i++) { if (lnl[i - 1] < ymin) { ymin = lnl[i - 1]; imin = i; } } already = (tt == x[0]) || (tt == x[1]) || (tt == x[2]); if (!already && ymin < lnlike) { x[imin - 1] = tt; lnl[imin - 1] = lnlike; } if (already || lnlike < oldlike) { tt = x[1]; tfactor /= 2; tdelta /= 2; curtree.likelihood = oldlike; lnlike = oldlike; } else tfactor = 1.0; if (!done) { sib_ptr = p; num_sibs = count_sibs(p); p->tyme = tt; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_ptr->tyme = tt; } sib_ptr = p; prot_nuview(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; prot_nuview(sib_ptr); } } it++; } sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; inittrav (sib_ptr); } smoothed = smoothed && done; } /* makenewv */ void update(node *p) { node *sib_ptr, *sib_back_ptr; long i, num_sibs; /* improve time and recompute views at a node */ if (p == NULL) return; if (p->back != NULL) { if (!p->back->tip && !p->back->initialized) prot_nuview(p->back); } sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr != NULL) { if (!sib_back_ptr->tip && !sib_back_ptr->initialized) prot_nuview(sib_back_ptr); } } if ((!usertree) || (usertree && !lngths) || p->iter) { makenewv(p); return; } prot_nuview(p); sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; prot_nuview(sib_ptr); } } /* update */ void smooth(node *p) { node *sib_ptr; long i, num_sibs; if (p == NULL) return; if (p->tip) return; update(p); smoothed = false; sib_ptr = p; num_sibs = count_sibs(p); for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; if (polishing || (smoothit && !smoothed)) { smooth(sib_ptr->back); p->initialized = false; sib_ptr->initialized = false; } update(p); } } /* smooth */ void promlk_add(node *below, node *newtip, node *newfork, boolean tempadd) { /* inserts the nodes newfork and its descendant, newtip, into the tree. */ long i; boolean done; node *p; below = curtree.nodep[below->index - 1]; newfork = curtree.nodep[newfork->index-1]; newtip = curtree.nodep[newtip->index-1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (newtip->tyme < below->tyme) p = newtip; else p = below; newfork->tyme = p->tyme; if (curtree.root == below) curtree.root = newfork; if (newfork->back != NULL) { if (p->tyme > newfork->back->tyme) newfork->tyme = (p->tyme + newfork->back->tyme) / 2.0; else newfork->tyme = p->tyme - epsilon; newfork->next->tyme = newfork->tyme; newfork->next->next->tyme = newfork->tyme; do { p = curtree.nodep[p->back->index - 1]; done = (p == curtree.root); if (!done) done = (curtree.nodep[p->back->index - 1]->tyme < p->tyme - epsilon); if (!done) { curtree.nodep[p->back->index - 1]->tyme = p->tyme - epsilon; curtree.nodep[p->back->index - 1]->next->tyme = p->tyme - epsilon; curtree.nodep[p->back->index - 1]->next->next->tyme = p->tyme - epsilon; } } while (!done); } else { newfork->tyme = newfork->tyme - 2*epsilon; newfork->next->tyme = newfork->tyme; newfork->next->next->tyme = newfork->tyme; } inittrav(newtip); inittrav(newtip->back); smoothed = false; i = 1; while (i < smoothings && !smoothed) { smoothed = true; smooth(newfork); smooth(newfork->back); i++; } } /* promlk_add */ void promlk_re_move(node **item, node **fork, boolean tempadd) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork */ node *p, *q; long i; if ((*item)->back == NULL) { *fork = NULL; return; } *item = curtree.nodep[(*item)->index-1]; *fork = curtree.nodep[(*item)->back->index - 1]; if (curtree.root == *fork) { if (*item == (*fork)->next->back) curtree.root = (*fork)->next->next->back; else curtree.root = (*fork)->next->back; } p = (*item)->back->next->back; q = (*item)->back->next->next->back; /* debug replace by hookup calls? Does that have NULL protection? */ if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; inittrav(p); inittrav(q); if (tempadd) return; i = 1; while (i <= smoothings) { smooth(q); if (smoothit) smooth(q->back); i++; } } /* promlk_re_move */ double prot_evaluate(node *p) { contribarr tterm; static contribarr like, nulike, clai; double sum, sum2, sumc=0, y, prod4, prodl, frexm, sumterm, lterm; double **pmat; long i, j, k, l, m, lai; node *q, *r; psitelike x1, x2; sum = 0.0; if (p == curtree.root && (count_sibs(p) == 2)) { r = p->next->back; q = p->next->next->back; y = r->tyme + q->tyme - 2 * p->tyme; if (!r->tip && !r->initialized) prot_nuview (r); if (!q->tip && !q->initialized) prot_nuview (q); } else if (p == curtree.root) { /* the next two lines copy tyme and x to p->next. Normally they are not initialized for an internal node. */ /* assumes bifurcation */ p->next->tyme = p->tyme; prot_nuview(p->next); r = p->next; q = p->next->back; y = fabs(p->next->tyme - q->tyme); } else { r = p; q = p->back; if (!r->tip && !r->initialized) prot_nuview (r); if (!q->tip && !q->initialized) prot_nuview (q); y = fabs(r->tyme - q->tyme); } for (j = 0; j < rcategs; j++) for (k = 0; k < categs; k++) make_pmatrix(pmatrices[0][j][k],NULL,NULL,0,y,tbl[j][k],eigmat,probmat); for (i = 0; i < endsite; i++) { k = category[alias[i]-1] - 1; for (j = 0; j < rcategs; j++) { memcpy(x1, r->protx[i][j], sizeof(psitelike)); memcpy(x2, q->protx[i][j], sizeof(psitelike)); prod4 = 0.0; pmat = pmatrices[0][j][k]; for (m = 0; m <= 19; m++) { prodl = 0.0; for (l = 0; l <= 19; l++) prodl += (pmat[m][l] * x2[l]); frexm = x1[m] * freqaa[m]; prod4 += (prodl * frexm); } tterm[j] = prod4; } sumterm = 0.0; for (j = 0; j < rcategs; j++) sumterm += probcat[j] * tterm[j]; if (sumterm < 0.0) sumterm = 0.00000001; /* ??? */ lterm = log(sumterm); for (j = 0; j < rcategs; j++) clai[j] = tterm[j] / sumterm; memcpy(contribution[i], clai, rcategs * sizeof(double)); if (!auto_ && usertree) l0gf[which - 1][i] = lterm; sum += aliasweight[i] * lterm; } if (auto_) { for (j = 0; j < rcategs; j++) like[j] = 1.0; for (i = 0; i < sites; i++) { if ((ally[i] > 0) && (location[ally[i]-1] > 0)) { sumc = 0.0; for (k = 0; k < rcategs; k++) sumc += probcat[k] * like[k]; sumc *= lambda; lai = location[ally[i] - 1]; memcpy(clai, contribution[lai - 1], rcategs*sizeof(double)); for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc) * clai[j]; } else { for (j = 0; j < rcategs; j++) nulike[j] = ((1.0 - lambda) * like[j] + sumc); } memcpy(like, nulike, rcategs * sizeof(double)); } sum2 = 0.0; for (i = 0; i < rcategs; i++) sum2 += probcat[i] * like[i]; sum += log(sum2); } curtree.likelihood = sum; if (auto_ || !usertree) return sum; l0gl[which - 1] = sum; if (which == 1) { maxwhich = 1; maxlogl = sum; return sum; } if (sum > maxlogl) { maxwhich = which; maxlogl = sum; } return sum; } /* prot_evaluate */ void tryadd(node *p, node **item, node **nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater likelihood than other locations tested up to that time, then keeps that location as there */ long grcategs; grcategs = (categs > rcategs) ? categs : rcategs; promlk_add(p, *item, *nufork, true); like = prot_evaluate(p); if (lastsp) { if (like >= bestyet || bestyet == UNDEFINED) prot_copy_(&curtree, &bestree, nonodes, grcategs); } if (like > bestyet || bestyet == UNDEFINED) { bestyet = like; there = p; } promlk_re_move(item, nufork, true); } /* tryadd */ void addpreorder(node *p, node *item_, node *nufork_, boolean contin, boolean continagain) { /* traverses a binary tree, calling function tryadd at a node before calling tryadd at its descendants */ node *item, *nufork; item = item_; nufork = nufork_; if (p == NULL) return; tryadd(p, &item, &nufork); contin = continagain; if ((!p->tip) && contin) { addpreorder(p->next->back, item, nufork, contin, continagain); addpreorder(p->next->next->back, item, nufork, contin, continagain); } } /* addpreorder */ void restoradd(node *below, node *newtip, node *newfork, double prevtyme) { /* restore "new" tip and fork to place "below". restore tymes */ /* assumes bifurcation */ hookup(newfork, below->back); hookup(newfork->next, below); hookup(newtip, newfork->next->next); curtree.nodep[newfork->index-1] = newfork; newfork->tyme = prevtyme; /* assumes bifurcations */ newfork->next->tyme = prevtyme; newfork->next->next->tyme = prevtyme; } /* restoradd */ void tryrearr(node *p, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater likelihood than the old one sets success = TRUE and keeps the new tree. otherwise, restores the old tree */ node *frombelow, *whereto, *forknode; double oldlike, prevtyme; boolean wasonleft; if (p == curtree.root) return; forknode = curtree.nodep[p->back->index - 1]; if (forknode == curtree.root) return; oldlike = bestyet; prevtyme = forknode->tyme; /* the following statement presumes bifurcating tree */ if (forknode->next->back == p) { frombelow = forknode->next->next->back; wasonleft = true; } else { frombelow = forknode->next->back; wasonleft = false; } whereto = curtree.nodep[forknode->back->index - 1]; promlk_re_move(&p, &forknode, true); promlk_add(whereto, p, forknode, true); like = prot_evaluate(p); if (like <= oldlike && oldlike != UNDEFINED) { promlk_re_move(&p, &forknode, true); restoradd(frombelow, p, forknode, prevtyme); if (wasonleft && (forknode->next->next->back == p)) { hookup (forknode->next->back, forknode->next->next); hookup (forknode->next, p); } curtree.likelihood = oldlike; inittrav(forknode); inittrav(forknode->next); inittrav(forknode->next->next); } else { (*success) = true; bestyet = like; } } /* tryrearr */ void repreorder(node *p, boolean *success) { /* traverses a binary tree, calling function tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p, success); if (p->tip) return; if (!(*success)) repreorder(p->next->back, success); if (!(*success)) repreorder(p->next->next->back, success); } /* repreorder */ void rearrange(node **r) { /* traverses the tree (preorder), finding any local rearrangement which increases the likelihood. if traversal succeeds in increasing the tree's likelihood, function rearrange runs traversal again */ boolean success; success = true; while (success) { success = false; repreorder(*r, &success); } } /* rearrange */ void nodeinit(node *p) { /* set up times at one node */ node *sib_ptr, *sib_back_ptr; long i, num_sibs; double lowertyme; sib_ptr = p; num_sibs = count_sibs(p); /* lowertyme = lowest of children's times */ lowertyme = p->next->back->tyme; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; if (sib_back_ptr->tyme < lowertyme) lowertyme = sib_back_ptr->tyme; } p->tyme = lowertyme - 0.1; sib_ptr = p; for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; sib_ptr->tyme = p->tyme; sib_back_ptr->v = sib_back_ptr->tyme - p->tyme; sib_ptr->v = sib_back_ptr->v; } } /* nodeinit */ void initrav(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; /* traverse to set up times throughout tree */ if (p->tip) return; sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; initrav(sib_back_ptr); } nodeinit(p); } /* initrav */ void travinit(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; /* traverse to set up initial values */ if (p == NULL) return; if (p->tip) return; if (p->initialized) return; sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; travinit(sib_back_ptr); } prot_nuview(p); p->initialized = true; } /* travinit */ void travsp(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; /* traverse to find tips */ if (p == curtree.root) travinit(p); if (p->tip) travinit(p->back); else { sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; travsp(sib_back_ptr); } } } /* travsp */ void treevaluate() { /* evaluate likelihood of tree, after iterating branch lengths */ long i, j, num_sibs; node *sib_ptr, *sib_back_ptr; double dummy; polishing = true; smoothit = true; for (i = 0; i < spp; i++) curtree.nodep[i]->initialized = false; for (i = spp; i < nonodes; i++) { sib_ptr = curtree.nodep[i]; sib_ptr->initialized = false; num_sibs = count_sibs(sib_ptr); for (j=0 ; j < num_sibs; j++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; sib_ptr->initialized = false; } } if (!lngths) initrav(curtree.root); travsp(curtree.root); for (i = 1; i <= smoothings * 4; i++) smooth(curtree.root); dummy = prot_evaluate(curtree.root); } /* treevaluate */ void promlk_coordinates(node *p, long *tipy) { /* establishes coordinates of nodes */ node *q, *first, *last, *pp1 =NULL, *pp2 =NULL; long num_sibs, p1, p2, i; if (p->tip) { p->xcoord = 0; p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; return; } q = p->next; do { promlk_coordinates(q->back, tipy); q = q->next; } while (p != q); num_sibs = count_sibs(p); p1 = (long)((num_sibs+1)/2.0); p2 = (long)((num_sibs+2)/2.0); i = 1; q = p->next; first = q->back; do { if (i == p1) pp1 = q->back; if (i == p2) pp2 = q->back; last = q->back; q = q->next; i++; } while (q != p); p->xcoord = (long)(0.5 - over * p->tyme); p->ycoord = (pp1->ycoord + pp2->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* promlk_coordinates */ void promlk_drawline(long i, double scale) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j; boolean extra, done; p = curtree.root; q = curtree.root; extra = false; if ((long)(p->ycoord) == i) { if (p->index - spp >= 10) fprintf(outfile, "-%2ld", p->index - spp); else fprintf(outfile, "--%ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)(scale * ((long)(p->xcoord) - (long)(q->xcoord)) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)(q->ycoord) == i && !done) { if (p->ycoord != q->ycoord) putc('+', outfile); else putc('-', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)(last->ycoord) > i && (long)(first->ycoord) < i && i != (long)(p->ycoord)) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (p != q) p = q; } while (!done); if ((long)(p->ycoord) == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* promlk_drawline */ void promlk_printree() { /* prints out diagram of the tree */ long tipy; double scale; long i; node *p; if (!treeprint) return; putc('\n', outfile); tipy = 1; promlk_coordinates(curtree.root, &tipy); p = curtree.root; while (!p->tip) p = p->next->back; scale = 1.0 / (long)(p->tyme - curtree.root->tyme + 1.000); putc('\n', outfile); for (i = 1; i <= tipy - down; i++) promlk_drawline(i, scale); putc('\n', outfile); } /* promlk_printree */ void describe(node *p) { long i, num_sibs; node *sib_ptr, *sib_back_ptr; double v; if (p == curtree.root) fprintf(outfile, " root "); else fprintf(outfile, "%4ld ", p->back->index - spp); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); if (p != curtree.root) { fprintf(outfile, "%11.5f", (p->tyme - curtree.root->tyme)); v = (p->tyme - curtree.nodep[p->back->index - 1]->tyme); fprintf(outfile, "%13.5f", v); } putc('\n', outfile); if (!p->tip) { sib_ptr = p; num_sibs = count_sibs(p); for (i=0 ; i < num_sibs; i++) { sib_ptr = sib_ptr->next; sib_back_ptr = sib_ptr->back; describe(sib_back_ptr); } } } /* describe */ void prot_reconstr(node *p, long n) { /* reconstruct and print out acid at site n+1 at node p */ long i, j, k, first, num_sibs = 0; double f, sum, xx[20]; node *q = NULL; if (p->tip) putc(y[p->index-1][n], outfile); else { num_sibs = count_sibs(p); if ((ally[n] == 0) || (location[ally[n]-1] == 0)) putc('.', outfile); else { j = location[ally[n]-1] - 1; sum = 0; for (i = 0; i <= 19; i++) { f = p->protx[j][mx-1][i]; if (!p->tip) { q = p; for (k = 0; k < num_sibs; k++) { q = q->next; f *= q->protx[j][mx-1][i]; } } f = sqrt(f); xx[i] = f * freqaa[i]; sum += xx[i]; } for (i = 0; i <= 19; i++) xx[i] /= sum; first = 0; for (i = 0; i <= 19; i++) if (xx[i] > xx[first]) first = i; if (xx[first] > 0.95) putc(aachar[first], outfile); else putc(tolower(aachar[first]), outfile); if (rctgry && rcategs > 1) mx = mp[n][mx - 1]; else mx = 1; } } } /* prot_reconstr */ void rectrav(node *p, long m, long n) { /* print out segment of reconstructed sequence for one branch */ long num_sibs, i; node *sib_ptr; putc(' ', outfile); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index-1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); fprintf(outfile, " "); mx = mx0; for (i = m; i <= n; i++) { if ((i % 10 == 0) && (i != m)) putc(' ', outfile); prot_reconstr(p, i); } putc('\n', outfile); if (!p->tip) { num_sibs = count_sibs(p); sib_ptr = p; for (i = 0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; rectrav(sib_ptr->back, m, n); } } mx1 = mx; } /* rectrav */ void summarize() { long i, j, mm; double mode, sum; double like[maxcategs], nulike[maxcategs]; double **marginal; long **mp; mp = (long **)Malloc(sites * sizeof(long *)); for (i = 0; i <= sites-1; ++i) mp[i] = (long *)Malloc(sizeof(long)*rcategs); fprintf(outfile, "\nLn Likelihood = %11.5f\n\n", curtree.likelihood); fprintf(outfile, " Ancestor Node Node Height Length\n"); fprintf(outfile, " -------- ---- ---- ------ ------\n"); describe(curtree.root); putc('\n', outfile); if (rctgry && rcategs > 1) { for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (lambda1 + lambda * probcat[j]) * like[j]; mp[i][j] = j + 1; for (k = 1; k <= rcategs; k++) { if (k != j + 1) { if (lambda * probcat[k - 1] * like[k - 1] > nulike[j]) { nulike[j] = lambda * probcat[k - 1] * like[k - 1]; mp[i][j] = k; } } } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); } mode = 0.0; mx = 1; for (i = 1; i <= rcategs; i++) { if (probcat[i - 1] * like[i - 1] > mode) { mx = i; mode = probcat[i - 1] * like[i - 1]; } } mx0 = mx; fprintf(outfile, "Combination of categories that contributes the most to the likelihood:\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 1; i <= sites; i++) { fprintf(outfile, "%ld", mx); if (i % 10 == 0) putc(' ', outfile); if (i % 60 == 0 && i != sites) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } mx = mp[i - 1][mx - 1]; } fprintf(outfile, "\n\n"); marginal = (double **) Malloc( sites*sizeof(double *)); for (i = 0; i < sites; i++) marginal[i] = (double *) Malloc( rcategs*sizeof(double)); for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = sites - 1; i >= 0; i--) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (lambda1 + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } if ((ally[i] > 0) && (location[ally[i]-1] > 0)) nulike[j] *= contribution[location[ally[i] - 1] - 1][j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) { nulike[j] /= sum; marginal[i][j] = nulike[j]; } memcpy(like, nulike, rcategs * sizeof(double)); } for (i = 0; i < rcategs; i++) like[i] = 1.0; for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) { nulike[j] = (lambda1 + lambda * probcat[j]) * like[j]; for (k = 1; k <= rcategs; k++) { if (k != j + 1) nulike[j] += lambda * probcat[k - 1] * like[k - 1]; } marginal[i][j] *= like[j] * probcat[j]; sum += nulike[j]; } for (j = 0; j < rcategs; j++) nulike[j] /= sum; memcpy(like, nulike, rcategs * sizeof(double)); sum = 0.0; for (j = 0; j < rcategs; j++) sum += marginal[i][j]; for (j = 0; j < rcategs; j++) marginal[i][j] /= sum; } fprintf(outfile, "Most probable category at each site if > 0.95"); fprintf(outfile, " probability (\".\" otherwise)\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 0; i < sites; i++) { sum = 0.0; for (j = 0; j < rcategs; j++) if (marginal[i][j] > sum) { sum = marginal[i][j]; mm = j; } if (sum >= 0.95) fprintf(outfile, "%ld", mm+1); else putc('.', outfile); if ((i+1) % 60 == 0) { if (i != 0) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } } else if ((i+1) % 10 == 0) putc(' ', outfile); } putc('\n', outfile); for (i = 0; i < sites; i++) free(marginal[i]); free(marginal); } putc('\n', outfile); putc('\n', outfile); putc('\n', outfile); if (hypstate) { fprintf(outfile, "Probable sequences at interior nodes:\n\n"); fprintf(outfile, " node "); for (i = 0; (i < 13) && (i < ((sites + (sites-1)/10 - 39) / 2)); i++) putc(' ', outfile); fprintf(outfile, "Reconstructed sequence (caps if > 0.95)\n\n"); if (!rctgry || (rcategs == 1)) mx0 = 1; for (i = 0; i < sites; i += 60) { k = i + 59; if (k >= sites) k = sites - 1; rectrav(curtree.root, i, k); putc('\n', outfile); mx0 = mx1; } } } /* summarize */ void promlk_treeout(node *p) { /* write out file with representation of final tree */ node *sib_ptr; long i, n, w, num_sibs; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { sib_ptr = p; num_sibs = count_sibs(p); putc('(', outtree); col++; for (i=0; i < (num_sibs - 1); i++) { sib_ptr = sib_ptr->next; promlk_treeout(sib_ptr->back); putc(',', outtree); col++; if (col > 55) { putc('\n', outtree); col = 0; } } sib_ptr = sib_ptr->next; promlk_treeout(sib_ptr->back); putc(')', outtree); col++; } if (p == curtree.root) { fprintf(outtree, ";\n"); return; } x = (p->tyme - curtree.nodep[p->back->index - 1]->tyme); if (x > 0.0) w = (long)(0.4342944822 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.4342944822 * log(-x)) + 1; if (w < 0) w = 0; fprintf(outtree, ":%*.5f", (int)(w + 7), x); col += w + 8; } /* promlk_treeout */ void initpromlnode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; malloc_ppheno((*p), endsite, rcategs); nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); malloc_ppheno(*p, endsite, rcategs); (*p)->index = nodei; break; case tip: match_names_to_data(str, nodep, p, spp); break; case iter: (*p)->initialized = false; (*p)->v = initialv; (*p)->iter = true; if ((*p)->back != NULL) (*p)->back->iter = true; break; case length: processlength(&valyew, &divisor, ch, &minusread, intree, parens); (*p)->v = valyew / divisor; (*p)->iter = false; if ((*p)->back != NULL) { (*p)->back->v = (*p)->v; (*p)->back->iter = false; } break; case unittrwt: curtree.nodep[spp]->iter = false; break; default: /* cases hslength, hsnolength, treewt */ break; /* should never occur */ } } /* initpromlnode */ void tymetrav(node *p, double *x) { /* set up times of nodes */ node *sib_ptr, *q; long i, num_sibs; double xmax; xmax = 0.0; if (!p->tip) { sib_ptr = p; num_sibs = count_sibs(p); for (i=0; i < num_sibs; i++) { sib_ptr = sib_ptr->next; tymetrav(sib_ptr->back, x); if (xmax > (*x)) xmax = (*x); } } else (*x) = 0.0; p->tyme = xmax; if (!p->tip) { q = p; while (q->next != p) { q = q->next; q->tyme = p->tyme; } } (*x) = p->tyme - p->v; } /* tymetrav */ void free_all_protx (long nonodes, pointarray treenode) { /* used in proml */ long i, j, k; node *p; /* Zero thru spp are tips, */ for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) free(treenode[i]->protx[j]); free(treenode[i]->protx); } /* The rest are rings (i.e. triads) */ for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]; for (j = 1; j <= 3; j++) { for (k = 0; k < endsite; k++) free(p->protx[k]); free(p->protx); p = p->next; } } } } /* free_all_protx */ void maketree() { /* constructs a binary tree from the pointers in curtree.nodep, adds each node at location which yields highest likelihood then rearranges the tree for greatest likelihood */ long i, j, k, l; long numtrees = 0, num_sibs; double bestlike, gotlike, x; node *item, *nufork, *dummy, *q, *root=NULL; boolean dummy_haslengths, dummy_first, goteof; long nextnode; long grcategs; pointarray dummy_treenode=NULL; grcategs = (categs > rcategs) ? categs : rcategs; prot_inittable(); if (!usertree) { for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); curtree.root = curtree.nodep[spp]; curtree.root->back = NULL; for (i = 0; i < spp; i++) curtree.nodep[i]->back = NULL; for (i = spp; i < nonodes; i++) { q = curtree.nodep[i]; q->back = NULL; while ((q = q->next) != curtree.nodep[i]) q->back = NULL; } polishing = false; promlk_add(curtree.nodep[enterorder[0]-1], curtree.nodep[enterorder[1]-1], curtree.nodep[spp], false); if (progress) { printf("\nAdding species:\n"); writename(0, 2, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } lastsp = false; smoothit = false; for (i = 3; i <= spp; i++) { bestyet = UNDEFINED; bestree.likelihood = bestyet; there = curtree.root; item = curtree.nodep[enterorder[i - 1] - 1]; nufork = curtree.nodep[spp + i - 2]; lastsp = (i == spp); addpreorder(curtree.root, item, nufork, true, true); promlk_add(there, item, nufork, false); like = prot_evaluate(curtree.root); rearrange(&curtree.root); if (curtree.likelihood > bestree.likelihood) { prot_copy_(&curtree, &bestree, nonodes, grcategs); } if (progress) { writename(i - 1, 1, enterorder); #ifdef WIN32 phyFillScreenColor(); #endif } if (lastsp && global) { if (progress) { printf("Doing global rearrangements\n"); printf(" !"); for (j = 1; j <= nonodes; j++) putchar('-'); printf("!\n"); } bestlike = bestyet; do { if (progress) printf(" "); gotlike = bestlike; for (j = 0; j < nonodes; j++) { bestyet = UNDEFINED; item = curtree.nodep[j]; if (item != curtree.root) { nufork = curtree.nodep[curtree.nodep[j]->back->index - 1]; promlk_re_move(&item, &nufork, false); there = curtree.root; addpreorder(curtree.root, item, nufork, true, true); promlk_add(there, item, nufork, false); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) putchar('\n'); } while (bestlike < gotlike); } } if (njumble > 1 && lastsp) { for (i = 0; i < spp; i++ ) promlk_re_move(&curtree.nodep[i], &dummy, false); if (jumb == 1 || bestree2.likelihood < bestree.likelihood) prot_copy_(&bestree, &bestree2, nonodes, grcategs); } if (jumb == njumble) { if (njumble > 1) prot_copy_(&bestree2, &curtree, nonodes, grcategs); else prot_copy_(&bestree, &curtree, nonodes, grcategs); fprintf(outfile, "\n\n"); treevaluate(); curtree.likelihood = prot_evaluate(curtree.root); promlk_printree(); summarize(); if (trout) { col = 0; promlk_treeout(curtree.root); } } } else { openfile(&intree, INTREE, "input tree file", "r", progname, intreename); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); l0gl = (double *)Malloc(numtrees * sizeof(double)); l0gf = (double **)Malloc(numtrees * sizeof(double *)); for (i=0;i 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } fprintf(outfile, "\n\n"); which = 1; while (which <= numtrees) { /* These initializations required each time through the loop since multiple trees require re-initialization */ dummy_haslengths = true; nextnode = 0; dummy_first = true; goteof = false; treeread(intree, &root, dummy_treenode, &goteof, &dummy_first, curtree.nodep, &nextnode, &dummy_haslengths, &grbg, initpromlnode); nonodes = nextnode; root = curtree.nodep[root->index - 1]; curtree.root = root; if (lngths) tymetrav(curtree.root, &x); if (goteof && (which <= numtrees)) { /* if we hit the end of the file prematurely */ printf ("\n"); printf ("ERROR: trees missing at end of file.\n"); printf ("\tExpected number of trees:\t\t%ld\n", numtrees); printf ("\tNumber of trees actually in file:\t%ld.\n\n", which - 1); exxit(-1); } curtree.start = curtree.nodep[0]->back; treevaluate(); promlk_printree(); summarize(); if (trout) { col = 0; promlk_treeout(curtree.root); } which++; } FClose(intree); if (!auto_ && numtrees > 1 && weightsum > 1 ) standev2(numtrees, maxwhich, 0, endsite, maxlogl, l0gl, l0gf, aliasweight, seed); } if (usertree) { free(l0gl); for (i=0; i < numtrees; i++) free(l0gf[i]); free(l0gf); } for (num_sibs = 0; num_sibs < max_num_sibs; num_sibs++) { for (j = 0; j < rcategs; j++) { for (k = 0; k < categs; k++) { for (l = 0; l < 20; l++) { free(pmatrices[num_sibs][j][k][l]); } free(pmatrices[num_sibs][j][k]); } free(pmatrices[num_sibs][j]); } free(pmatrices[num_sibs]); } if (jumb < njumble) return; free(contribution); free(mp); free_all_protx(nonodes2, curtree.nodep); if (!usertree || reconsider) { free_all_protx(nonodes2, bestree.nodep); if (njumble > 1) free_all_protx(nonodes2, bestree2.nodep); } if (progress) { printf("\n\nOutput written to file \"%s\"\n\n", outfilename); if (trout) printf("Tree also written onto file \"%s\"\n", outtreename); putchar('\n'); } free(root); } /* maketree */ void clean_up() { /* Free and/or close stuff */ long i; free (rrate); free (probcat); free (rate); /* Seems to require freeing every time... */ for (i = 0; i < spp; i++) { free (y[i]); } free (y); free (nayme); free (enterorder); free (category); free (weight); free (alias); free (ally); free (location); free (aliasweight); free (probmat); free (eigmat); if (! (njumble <= 1)) freetree2(bestree2.nodep, nonodes2); FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif } /* clean_up */ int main(int argc, Char *argv[]) { /* Protein Maximum Likelihood with molecular clock */ #ifdef MAC argc = 1; /* macsetup("Promlk", ""); */ argv[0] = "Promlk"; #endif init(argc,argv); progname = argv[0]; openfile(&infile, INFILE, "input file", "r", argv[0], infilename); openfile(&outfile, OUTFILE, "output file", "w", argv[0], outfilename); ibmpc = IBMCRT; ansi = ANSICRT; datasets = 1; mulsets = false; firstset = true; doinit(); if (trout) openfile(&outtree,OUTTREE,"output tree file","w",argv[0],outtreename); if (ctgry) openfile(&catfile,CATFILE,"categories file","r",argv[0],catfilename); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); for (ith = 1; ith <= datasets; ith++) { if (datasets > 1) { fprintf(outfile, "Data set # %ld:\n\n", ith); if (progress) printf("\nData set # %ld:\n", ith); } getinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++){ max_num_sibs = 0; maketree(); } } clean_up(); printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } /* Protein Maximum Likelihood with molecular clock */ ./arbsrc_9167/GDE/PHYLIP/protdist.c0000644012664100000130000016127511213220011016552 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2001 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define nmlngth 10 /* number of characters in species name */ typedef long *steparray; typedef enum { universal, ciliate, mito, vertmito, flymito, yeastmito } codetype; typedef enum { chemical, hall, george } cattype; typedef double matrix[20][20]; #ifndef OLDC /* function prototypes */ void protdist_uppercase(Char *); void protdist_inputnumbers(void); void getoptions(void); void transition(void); void doinit(void); void printcategories(void); void inputoptions(void); void protdist_inputdata(void); void doinput(void); void code(void); void protdist_cats(void); void maketrans(void); void givens(matrix, long, long, long, double, double, boolean); void coeffs(double, double, double *, double *, double); void tridiag(matrix, long, double); void shiftqr(matrix, long, double); void qreigen(matrix, long); void pameigen(void); void jtteigen(void); void predict(long, long, long); void makedists(void); /* function prototypes */ #endif long chars, datasets, ith, ctgry, categs; /* spp = number of species chars = number of positions in actual sequences */ double freqa, freqc, freqg, freqt, cvi, invarfrac, ttratio, xi, xv, ease, fracchange; extern boolean printdata, interleaved; boolean usepam, weights, mulsets, similarity, justwts, basesequal, firstset, kimura, invar, progress, gama, usejtt; codetype whichcode; cattype whichcat; steptr oldweight; double rate[maxcategs]; aas **gnode; aas trans[4][4][4]; double pie[20]; long cat[(long)ser - (long)ala + 1], numaa[(long)ser - (long)ala + 1]; double eig[20]; matrix prob, eigvecs; double **d; char infilename[100], outfilename[100], catfilename[100], weightfilename[100]; /* Local variables for makedists, propagated globally for c version: */ double tt, p, dp, d2p, q, elambdat; static double pameigs[] = {0.0, -0.002350753691875762, -0.002701991863800379, -0.002931612442853115, -0.004262492032364507, -0.005395980482561625, -0.007141172690079523, -0.007392844756151318, -0.007781761342200766, -0.00810032066366362, -0.00875299712761124, -0.01048227332164386, -0.01109594097332267, -0.01298616073142234, -0.01342036228188581, -0.01552599145527578, -0.01658762802054814, -0.0174893445623765, -0.01933280832903272, -0.02206353522613025}; static double pamprobs[20][20] = {{0.087683339901135, 0.04051291829598762, 0.04087846315185977, 0.04771603459744777, 0.03247095396561266, 0.03784612688594957, 0.0504933695604875, 0.0898249006830755, 0.03285885059543713, 0.0357514442352119, 0.0852464099207521, 0.07910313444070642, 0.01488243946396588, 0.04100101908956829, 0.05158026947089499, 0.06975497205982451, 0.05832757042475474, 0.00931264523877807, 0.03171540880870517, 0.06303972920984541}, {0.01943453646811026, -0.004492574160484092, 0.007694891061220776, 0.01278399096887701, 0.0106157418450234, 0.007542140341575122, 0.01326994069032819, 0.02615565199894889, 0.003123125764490066, 0.002204507682495444, -0.004782898215768979, 0.01204241965177619, 0.0007847400096924341, -0.03043626073172116, 0.01221202591902536, 0.01100527004684405, 0.01116495631339549, -0.0925364931988571, -0.02622065387931562, 0.00843494142432107}, {0.01855357100209072, 0.01493642835763868, 0.0127983090766285, 0.0200533250704364, -0.1681898360107787, 0.01551657969909255, 0.02128060163107209, 0.03100633591848964, 0.00845480845269879, 0.000927149370785571, 0.00937207565817036, 0.03490557769673472, 0.00300443019551563, -0.02590837220264415, 0.01329376859943192, 0.006854110889741407, 0.01102593860528263, 0.003360844186685888, -0.03459712356647764, 0.003351477369404443}, {0.02690642688200102, 0.02131745801890152, 0.0143626616005213, 0.02405101425725929, 0.05041008641436849, 0.01430925051050233, 0.02362114036816964, 0.04688381789373886, 0.005250115453626377, -0.02040112168595516, -0.0942720776915669, 0.03773004996758644, -0.00822831940782616, -0.1164872809439224, 0.02286281877257392, 0.02849551240669926, 0.01468856796295663, 0.02377110964207936, -0.094380545436577, -0.02089068498518036}, {0.00930172577225213, 0.01493463068441099, 0.020186920775608, 0.02892154953912524, -0.01224593358361567, 0.01404228329986624, 0.02671186617119041, 0.04537535161795231, 0.02229995804098249, -0.04635704133961575, -0.1966910360247138, 0.02796648065439046, -0.02263484732621436, 0.0440490503242072, 0.01148782948302166, 0.01989170531824069, 0.001306805142981245, -0.005676690969116321, 0.07680476281625202, -0.07967537039721849}, {0.06602274245435476, -0.0966661981471856, -0.005241648783844579, 0.00859135188171146, -0.007762129660943368, -0.02888965572526196, 0.003592291525888222, 0.1668410669287673, -0.04082039290551406, 0.005233775047553415, -0.01758244726137135, -0.1493955762326898, -0.00855819137835548, 0.004211419253492328, 0.01929306335052688, 0.03008056746359405, 0.0190444422412472, 0.005577189741419315, 0.0000874156155112068, 0.02634091459108298}, {0.01933897472880726, 0.05874583569377844, -0.02293534606228405, -0.07206314017962175, -0.004580681581546643, -0.0628814337610561, -0.0850783812795136, 0.07988417636610614, -0.0852798990133397, 0.01649047166155952, -0.05416647263757423, 0.1089834536254064, 0.005093403979413865, 0.02520300254161142, 0.0005951431406455604, 0.02441251821224675, 0.02796099482240553, -0.002574933994926502, -0.007172237553012804, 0.03002455129086954}, {0.04041118479094272, -0.002476225672095412, -0.01494505811263243, -0.03759443758599911, -0.00892246902492875, -0.003634714029239211, -0.03085671837973749, -0.126176309029931, 0.005814031139083794, 0.01313561962646063, -0.04760487162503322, -0.0490563712725484, -0.005082243450421558, -0.01213634309383557, 0.1806666927079249, 0.02111663336185495, 0.02963486860587087, -0.0000175020101657785, 0.01197155383597686, 0.0357526792184636}, {-0.01184769557720525, 0.01582776076338872, -0.006570708266564639, -0.01471915653734024, 0.00894343616503608, 0.00562664968033149, -0.01465878888356943, 0.05365282692645818, 0.00893509735776116, -0.05879312944436473, 0.0806048683392995, -0.007722897986905326, -0.001819943882718859, 0.0942535573077267, 0.07483883782251654, 0.004354639673913651, -0.02828804845740341, -0.001318222184691827, -0.07613149604246563, -0.1251675867732172}, {0.00834167031558193, -0.01509357596974962, 0.007098172811092488, 0.03127677418040319, 0.001992448468465455, 0.00915441566808454, 0.03430175973499201, -0.0730648147535803, -0.001402707145575659, 0.04780949194330815, -0.1115035603461273, -0.01292297197609604, -0.005056270550868528, 0.1112053349612027, -0.03801929822379964, -0.001191241001736563, 0.01872874622910247, 0.0005314214903865993, -0.0882576318311789, 0.07607183599610171}, {-0.01539460099727769, 0.04988596184297883, -0.01187240760647617, -0.06987843637091853, -0.002490472846497859, 0.01009857892494956, -0.07473588067847209, 0.0906009925879084, 0.1243612446505172, 0.02152806401345371, -0.03504879644860233, -0.06680752427613573, -0.005574485153629651, 0.001518282948127752, -0.01999168507510701, -0.01478606199529457, -0.02203749419458996, -0.00132680708294333, -0.01137505997867614, 0.05332658773667142}, {-0.06104378736432388, 0.0869446603393548, -0.03298331234537257, 0.03128515657456024, 0.003906358569208259, 0.03578694104193928, 0.06241936133189683, 0.06182827284921748, -0.05566564263245907, 0.02640868588189002, -0.01349751243059039, -0.05507866642582638, -0.006671347738489326, -0.001470096466016046, 0.05185743641479938, -0.07494697511168257, -0.1175185439057584, -0.001188074094105709, 0.00937934805737347, 0.05024773745437657}, {-0.07252555582124737, -0.116554459356382, 0.003605361887406413, -0.00836518656029184, 0.004615715410745561, 0.005105376617651312, -0.00944938657024391, 0.05602449420950007, 0.02722719610561933, 0.01959357494748446, -0.0258655103753962, 0.1440733975689835, 0.01446782819722976, 0.003718896062070054, 0.05825843045655135, -0.06230154142733073, -0.07833704962300169, 0.003160836143568724, -0.001169873777936648, 0.03471745590503304}, {-0.03204352258752698, 0.01019272923862322, 0.04509668708733181, 0.05756522429120813, -0.0004601149081726732, -0.0984718150777423, -0.01107826100664925, -0.005680277810520585, 0.01962359392320817, 0.01550006899131986, 0.05143956925922197, 0.02462476682588468, -0.0888843861002653, -0.00171553583659411, 0.01606331750661664, 0.001176847743518958, -0.02070972978912828, -0.000341523293579971, -0.002654732745607882, 0.02075709428885848}, {0.03595199666430258, -0.02800219615234468, -0.04341570015493925, -0.0748275906176658, 0.0001051403676377422, 0.1137431321746627, 0.005852087565974318, 0.003443037513847801, -0.02481931657706633, -0.003651181839831423, 0.03195794176786321, 0.04135411406392523, -0.07562030263210619, 0.001769332364699, -0.01984381173403915, -0.005029750745010152, 0.02649253902476472, 0.000518085571702734, 0.001062936684474851, 0.01295950668914449}, {-0.16164552322896, -0.0006050035060464324, 0.0258380054414968, 0.003188424740960557, -0.0002058911341821877, 0.03157555987384681, -0.01678913462596107, 0.03096216145389774, -0.0133791110666919, 0.1125249625204277, -0.00769017706442472, -0.02653938062180483, -0.002555329863523985, -0.00861833362947954, 0.01775148884754278, 0.02529310679774722, 0.0826243417011238, -0.0001036728183032624, 0.001963562313294209, -0.0935900561309786}, {0.1652394174588469, -0.002814245280784351, -0.0328982001821263, -0.02000104712964131, 0.0002208121995725443, -0.02733462178511839, 0.02648078162927627, -0.01788316626401427, 0.01630747623755998, 0.1053849023838147, -0.005447706553811218, 0.01810876922536839, -0.001808914710282444, -0.007687912115607397, -0.01332593672114388, -0.02110750894891371, -0.07456116592983384, 0.000219072589592394, 0.001270886972191055, -0.1083616930749109}, {0.02453279389716254, -0.005820072356487439, 0.100260287284095, 0.01277522280305745, -0.003184943445296999, 0.05814689527984152, -0.0934012278200201, -0.03017986487349484, -0.03136625380994165, 0.00988668352785117, -0.00358900410973142, -0.02017443675004764, 0.000915384582922184, -0.001460963415183106, -0.01370112443251124, 0.1130040979284457, -0.1196161771323699, -0.0005800211204222045, -0.0006153403201024954, 0.00416806428223025}, {-0.0778089244252535, -0.007055161182430869, -0.0349307504860869, -0.0811915584276571, -0.004689825871599125, -0.03726108871471753, 0.1072225647141469, -0.00917015113070944, 0.01381628985996913, -0.00123227881492089, 0.001815954515275675, 0.005708744099349901, -0.0001448985044877925, -0.001306578795561384, -0.006992743514185243, 0.1744720240732789, -0.05353628497814023, -0.0007613684227234787, -0.0003550282315997644, 0.01340106423804634}, {-0.0159527329868513, -0.007622151568160798, -0.1389875105184963, 0.1165051999914764, -0.002217810389087748, 0.01550003226513692, -0.07427664222230566, -0.003371438498619264, 0.01385754771325365, 0.004759020167383304, 0.001624078805220564, 0.02011638303109029, -0.001717827082842178, -0.0007424036708598594, -0.003978884451898934, 0.0866418927301209, -0.01280817739158123, -0.00023039242454603, 0.002309205802479111, 0.0005926106991001195}}; /* this jtt matrix decomposition due to Elisabeth Tillier */ static double jtteigs[] = {0.0, -0.007031123, -0.006484345, -0.006086499, -0.005514432, -0.00772664, -0.008643413, -0.010620756, -0.009965552, -0.011671808, -0.012222418,-0.004589201, -0.013103714, -0.014048038, -0.003170582, -0.00347935, -0.015311677, -0.016021194, -0.017991454, -0.018911888}; static double jttprobs[20][20] = {{0.076999996, 0.051000003, 0.043000004, 0.051999998, 0.019999996, 0.041, 0.061999994, 0.073999997, 0.022999999, 0.052000004, 0.090999997, 0.058999988, 0.024000007, 0.04, 0.050999992, 0.069, 0.059000006, 0.014000008, 0.032000004, 0.066000005}, {0.015604455, -0.068062363, 0.020106264, 0.070723273, 0.011702977, 0.009674053, 0.074000798, -0.169750458, 0.005560808, -0.008208636, -0.012305869, -0.063730179, -0.005674643, -0.02116828, 0.104586169, 0.016480839, 0.016765139, 0.005936994, 0.006046367, -0.0082877}, {-0.049778281, -0.007118197, 0.003801272, 0.070749616, 0.047506147, 0.006447017, 0.090522425, -0.053620432, -0.008508175, 0.037170603, 0.051805545, 0.015413608, 0.019939916, -0.008431976, -0.143511376, -0.052486072, -0.032116542, -0.000860626, -0.02535993, 0.03843545}, {-0.028906423, 0.092952047, -0.009615343, -0.067870117, 0.031970392, 0.048338335, -0.054396304, -0.135916654, 0.017780083, 0.000129242, 0.031267424, 0.116333586, 0.007499746, -0.032153596, 0.033517051, -0.013719269, -0.00347293, -0.003291821, -0.02158326, -0.008862168}, {0.037181176, -0.023106564, -0.004482225, -0.029899635, 0.118139633, -0.032298569, -0.04683198, 0.05566988, -0.012622847, 0.002023096, -0.043921088, -0.04792557, -0.003452711, -0.037744513, 0.020822974, 0.036580187, 0.02331425, -0.004807711, -0.017504496, 0.01086673}, {0.044754061, -0.002503471, 0.019452517, -0.015611487, -0.02152807, -0.013131425, -0.03465365, -0.047928912, 0.020608851, 0.067843095, -0.122130014, 0.002521499, 0.013021646, -0.082891087, -0.061590119, 0.016270856, 0.051468938, 0.002079063, 0.081019713, 0.082927944}, {0.058917882, 0.007320741, 0.025278141, 0.000357541, -0.002831285, -0.032453034, -0.010177288, -0.069447924, -0.034467324, 0.011422358, -0.128478324, 0.04309667, -0.015319944, 0.113302422, -0.035052393, 0.046885372, 0.06185183, 0.00175743, -0.06224497, 0.020282093}, {-0.014562092, 0.022522921, -0.007094389, 0.03480089, -0.000326144, -0.124039037, 0.020577906, -0.005056454, -0.081841576, -0.004381786, 0.030826152, 0.091261631, 0.008878828, -0.02829487, 0.042718836, -0.011180886, -0.012719227, -0.000753926, 0.048062375, -0.009399129}, {0.033789571, -0.013512235, 0.088010984, 0.017580292, -0.006608005, -0.037836971, -0.061344686, -0.034268357, 0.018190209, -0.068484614, 0.120024744, -0.00319321, -0.001349477, -0.03000546, -0.073063759, 0.081912399, 0.0635245, 0.000197, -0.002481798, -0.09108114}, {-0.113947615, 0.019230545, 0.088819683, 0.064832765, 0.001801467, -0.063829682, -0.072001633, 0.018429333, 0.057465965, 0.043901014, -0.048050874, -0.001705918, 0.022637173, 0.017404665, 0.043877902, -0.017089594, -0.058489485, 0.000127498, -0.029357194, 0.025943972}, {0.01512923, 0.023603725, 0.006681954, 0.012360216, -0.000181447, -0.023011838, -0.008960024, -0.008533239, 0.012569835, 0.03216118, 0.061986403, -0.001919083, -0.1400832, -0.010669741, -0.003919454, -0.003707024, -0.026806029, -0.000611603, -0.001402648, 0.065312824}, {-0.036405351, 0.020816769, 0.011408213, 0.019787053, 0.038897829, 0.017641789, 0.020858533, -0.006067252, 0.028617353, -0.064259496, -0.081676567, 0.024421823, -0.028751676, 0.07095096, -0.024199434, -0.007513119, -0.028108766, -0.01198095, 0.111761119, -0.076198809}, {0.060831772, 0.144097327, -0.069151377, 0.023754576, -0.003322955, -0.071618574, 0.03353154, -0.02795295, 0.039519769, -0.023453968, -0.000630308, -0.098024591, 0.017672997, 0.003813378, -0.009266499, -0.011192111, 0.016013873, -0.002072968, -0.010022044, -0.012526904}, {-0.050776604, 0.092833081, 0.044069596, 0.050523021, -0.002628417, 0.076542572, -0.06388631, -0.00854892, -0.084725311, 0.017401063, -0.006262541, -0.094457679, -0.002818678, -0.0044122, -0.002883973, 0.028729685, -0.004961596, -0.001498627, 0.017994575, -0.000232779}, {-0.01894566, -0.007760205, -0.015160993, -0.027254587, 0.009800903, -0.013443561, -0.032896517, -0.022734138, -0.001983861, 0.00256111, 0.024823166, -0.021256768, 0.001980052, 0.028136263, -0.012364384, -0.013782446, -0.013061091, 0.111173981, 0.021702122, 0.00046654}, {-0.009444193, -0.042106824, -0.02535015, -0.055125574, 0.006369612, -0.02945416, -0.069922064, -0.067221068, -0.003004999, 0.053624311, 0.128862984, -0.057245803, 0.025550508, 0.087741073, -0.001119043, -0.012036202, -0.000913488, -0.034864475, 0.050124813, 0.055534723}, {0.145782464, -0.024348311, -0.031216873, 0.106174443, 0.00202862, 0.02653866, -0.113657267, -0.00755018, 0.000307232, -0.051241158, 0.001310685, 0.035275877, 0.013308898, 0.002957626, -0.002925034, -0.065362319, -0.071844582, 0.000475894, -0.000112419, 0.034097762}, {0.079840455, 0.018769331, 0.078685899, -0.084329807, -0.00277264, -0.010099754, 0.059700608, -0.019209715, -0.010442992, -0.042100476, -0.006020556, -0.023061786, 0.017246106, -0.001572858, -0.006703785, 0.056301316, -0.156787357, -0.000303638, 0.001498195, 0.051363455}, {0.049628261, 0.016475144, 0.094141653, -0.04444633, 0.005206131, -0.001827555, 0.02195624, 0.013066683, -0.010415582, -0.022338403, 0.007837197, -0.023397671, -0.002507095, 0.005177694, 0.017109561, -0.202340113, 0.069681441, 0.000120736, 0.002201146, 0.004670849}, {0.089153689, 0.000233354, 0.010826822, -0.004273519, 0.001440618, 0.000436077, 0.001182351, -0.002255508, -0.000700465, 0.150589876, -0.003911914, -0.00050154, -0.004564983, 0.00012701, -0.001486973, -0.018902754, -0.054748555, 0.000217377, -0.000319302, -0.162541651}}; void protdist_uppercase(Char *ch) { (*ch) = (isupper(*ch) ? (*ch) : toupper(*ch)); } /* protdist_uppercase */ void protdist_inputnumbers() { /* input the numbers of species and of characters */ long i; fscanf(infile, "%ld%ld", &spp, &chars); if (printdata) fprintf(outfile, "%2ld species, %3ld positions\n\n", spp, chars); gnode = (aas **)Malloc(spp * sizeof(aas *)); if (firstset) { for (i = 0; i < spp; i++) gnode[i] = (aas *)Malloc(chars * sizeof(aas )); } weight = (steparray)Malloc(chars*sizeof(long)); oldweight = (steparray)Malloc(chars*sizeof(long)); category = (steparray)Malloc(chars*sizeof(long)); d = (double **)Malloc(spp*sizeof(double *)); nayme = (naym *)Malloc(spp*sizeof(naym)); for (i = 0; i < spp; ++i) d[i] = (double *)Malloc(spp*sizeof(double)); } /* protdist_inputnumbers */ void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; Char in[100]; boolean done; if (printdata) fprintf(outfile, "\nProtein distance algorithm, version %s\n\n",VERSION); putchar('\n'); weights = false; printdata = false; progress = true; interleaved = true; similarity = false; ttratio = 2.0; whichcode = universal; whichcat = george; basesequal = true; freqa = 0.25; freqc = 0.25; freqg = 0.25; freqt = 0.25; usejtt = true; usepam = false; kimura = false; gama = false; invar = false; invarfrac = 0.0; ease = 0.457; loopcount = 0; do { cleerhome(); printf("\nProtein distance algorithm, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" P Use JTT, PAM, Kimura or categories model? %s\n", usejtt ? "Jones-Taylor-Thornton matrix" : usepam ? "Dayhoff PAM matrix" : kimura ? "Kimura formula" : similarity ? "Similarity table" : "Categories model"); if (!kimura && !similarity) { printf(" G Gamma distribution of rates among positions?"); if (gama) printf(" Yes\n"); else { if (invar) printf(" Gamma+Invariant\n"); else printf(" No\n"); } } printf(" C One category of substitution rates?"); if (!ctgry || categs == 1) printf(" Yes\n"); else printf(" %ld categories\n", categs); printf(" W Use weights for positions?"); if (weights) printf(" Yes\n"); else printf(" No\n"); if (!(usejtt || usepam || kimura || similarity)) { printf(" U Use which genetic code? %s\n", (whichcode == universal) ? "Universal" : (whichcode == ciliate) ? "Ciliate" : (whichcode == mito) ? "Universal mitochondrial" : (whichcode == vertmito) ? "Vertebrate mitochondrial" : (whichcode == flymito) ? "Fly mitochondrial\n" : (whichcode == yeastmito) ? "Yeast mitochondrial" : ""); printf(" A Which categorization of amino acids? %s\n", (whichcat == chemical) ? "Chemical" : (whichcat == george) ? "George/Hunt/Barker" : "Hall"); printf(" E Prob change category (1.0=easy):%8.4f\n",ease); printf(" T Transition/transversion ratio:%7.3f\n",ttratio); printf(" F Base Frequencies:"); if (basesequal) printf(" Equal\n"); else printf("%7.3f%6.3f%6.3f%6.3f\n", freqa, freqc, freqg, freqt); } printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", datasets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", progress ? "Yes" : "No"); printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); in[0] = '\0'; getstryng(in); ch=in[0]; if (ch == '\n') ch = ' '; protdist_uppercase(&ch); done = (ch == 'Y'); if (!done) { if (((strchr("CPGMWI120",ch) != NULL) && (usejtt || usepam)) || ((strchr("CPMWI120",ch) != NULL) && (kimura || similarity)) || ((strchr("CUAPGETFMWI120",ch) != NULL) && (! (usejtt || usepam || kimura || similarity)))) { switch (ch) { case 'U': printf("Which genetic code?\n"); printf(" type for\n\n"); printf(" U Universal\n"); printf(" M Mitochondrial\n"); printf(" V Vertebrate mitochondrial\n"); printf(" F Fly mitochondrial\n"); printf(" Y Yeast mitochondrial\n\n"); loopcount2 = 0; do { printf("type U, M, V, F, or Y\n"); scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; protdist_uppercase(&ch); countup(&loopcount2, 10); } while (ch != 'U' && ch != 'M' && ch != 'V' && ch != 'F' && ch != 'Y'); switch (ch) { case 'U': whichcode = universal; break; case 'M': whichcode = mito; break; case 'V': whichcode = vertmito; break; case 'F': whichcode = flymito; break; case 'Y': whichcode = yeastmito; break; } break; case 'A': printf( "Which of these categorizations of amino acids do you want to use:\n\n"); printf( " all have groups: (Glu Gln Asp Asn), (Lys Arg His), (Phe Tyr Trp)\n"); printf(" plus:\n"); printf("George/Hunt/Barker:"); printf(" (Cys), (Met Val Leu Ileu), (Gly Ala Ser Thr Pro)\n"); printf("Chemical: "); printf(" (Cys Met), (Val Leu Ileu Gly Ala Ser Thr), (Pro)\n"); printf("Hall: "); printf(" (Cys), (Met Val Leu Ileu), (Gly Ala Ser Thr), (Pro)\n\n"); printf("Which do you want to use (type C, H, or G)\n"); loopcount2 = 0; do { scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; protdist_uppercase(&ch); countup(&loopcount2, 10); } while (ch != 'C' && ch != 'H' && ch != 'G'); switch (ch) { case 'C': whichcat = chemical; break; case 'H': whichcat = hall; break; case 'G': whichcat = george; break; } break; case 'C': ctgry = !ctgry; if (ctgry) { initcatn(&categs); initcategs(categs, rate); } break; case 'W': weights = !weights; break; case 'P': if (usejtt) { usejtt = false; usepam = true; } else { if (usepam) { usepam = false; kimura = true; } else { if (kimura) { kimura = false; similarity = true; } else { if (similarity) similarity = false; else usejtt = true; } } } break; case 'G': if (!(gama || invar)) gama = true; else { if (gama) { gama = false; invar = true; } else { if (invar) invar = false; } } break; case 'E': printf("Ease of changing category of amino acid?\n"); loopcount2 = 0; do { printf(" (1.0 if no difficulty of changing,\n"); printf(" less if less easy. Can't be negative\n"); scanf("%lf%*[^\n]", &ease); getchar(); countup(&loopcount2, 10); } while (ease > 1.0 || ease < 0.0); break; case 'T': loopcount2 = 0; do { printf("Transition/transversion ratio?\n"); scanf("%lf%*[^\n]", &ttratio); getchar(); countup(&loopcount2, 10); } while (ttratio < 0.0); break; case 'F': loopcount2 = 0; do { basesequal = false; printf("Frequencies of bases A,C,G,T ?\n"); scanf("%lf%lf%lf%lf%*[^\n]", &freqa, &freqc, &freqg, &freqt); getchar(); if (fabs(freqa + freqc + freqg + freqt - 1.0) >= 1.0e-3) printf("FREQUENCIES MUST SUM TO 1\n"); countup(&loopcount2, 10); } while (fabs(freqa + freqc + freqg + freqt - 1.0) >= 1.0e-3); break; case 'M': mulsets = !mulsets; if (mulsets) { printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&datasets); else initdatasets(&datasets); } break; case 'I': interleaved = !interleaved; break; case '0': if (ibmpc) { ibmpc = false; ansi = true; } else if (ansi) ansi = false; else ibmpc = true; break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; } } else { if (strchr("CUAPGETFMWI120",ch) == NULL) printf("Not a possible option!\n"); else printf("That option not allowed with these settings\n"); printf("\nPress Enter or Return key to continue\n"); getchar(); } } countup(&loopcount, 100); } while (!done); if (gama || invar) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among positions (must be positive)\n"); printf( " In gamma distribution parameters, this is 1/(square root of alpha)\n"); scanf("%lf%*[^\n]", &cvi); getchar(); countup(&loopcount, 10); } while (cvi <= 0.0); cvi = 1.0 / (cvi * cvi); } if (invar) { loopcount = 0; do { printf("Fraction of invariant positions?\n"); scanf("%lf%*[^\n]", &invarfrac); getchar(); countup (&loopcount, 10); } while ((invarfrac <= 0.0) || (invarfrac >= 1.0)); } } /* getoptions */ void transition() { /* calculations related to transition-transversion ratio */ double aa, bb, freqr, freqy, freqgr, freqty; freqr = freqa + freqg; freqy = freqc + freqt; freqgr = freqg / freqr; freqty = freqt / freqy; aa = ttratio * freqr * freqy - freqa * freqg - freqc * freqt; bb = freqa * freqgr + freqc * freqty; xi = aa / (aa + bb); xv = 1.0 - xi; if (xi <= 0.0 && xi >= -epsilon) xi = 0.0; if (xi < 0.0){ printf("THIS TRANSITION-TRANSVERSION RATIO IS IMPOSSIBLE WITH"); printf(" THESE BASE FREQUENCIES\n"); exxit(-1);} } /* transition */ void doinit() { /* initializes variables */ protdist_inputnumbers(); getoptions(); transition(); } /* doinit*/ void printcategories() { /* print out list of categories of positions */ long i, j; fprintf(outfile, "Rate categories\n\n"); for (i = 1; i <= nmlngth + 3; i++) putc(' ', outfile); for (i = 1; i <= chars; i++) { fprintf(outfile, "%ld", category[i - 1]); if (i % 60 == 0) { putc('\n', outfile); for (j = 1; j <= nmlngth + 3; j++) putc(' ', outfile); } else if (i % 10 == 0) putc(' ', outfile); } fprintf(outfile, "\n\n"); } /* printcategories */ void inputoptions() { /* input the information on the options */ long i; if (!firstset) samenumsp(&chars, ith); if (firstset) { for (i = 0; i < chars; i++) { category[i] = 1; oldweight[i] = 1; weight[i] = 1; } } if (!justwts && weights) inputweights(chars, oldweight, &weights); if (printdata) putc('\n', outfile); if (usejtt && printdata) fprintf(outfile, " Jones-Taylor-Thornton model distance\n"); if (usepam && printdata) fprintf(outfile, " Dayhoff PAM model distance\n"); if (kimura && printdata) fprintf(outfile, " Kimura protein distance\n"); if (!(usejtt || usepam || kimura || similarity) && printdata) fprintf(outfile, " Categories model distance\n"); if (similarity) fprintf(outfile, " \n Table of similarity between sequences\n"); if ((ctgry && categs > 1) && (firstset || !justwts)) { inputcategs(0, chars, category, categs, "ProtDist"); if (printdata) printcategs(outfile, chars, category, "Position categories"); } else if (printdata && (categs > 1)) { fprintf(outfile, "\nPosition category Rate of change\n\n"); for (i = 1; i <= categs; i++) fprintf(outfile, "%15ld%13.3f\n", i, rate[i - 1]); putc('\n', outfile); printcategories(); } if (weights && printdata) printweights(outfile, 0, chars, oldweight, "Positions"); } /* inputoptions */ void protdist_inputdata() { /* input the names and sequences for each species */ long i, j, k, l, aasread=0, aasnew=0; Char charstate; boolean allread, done; aas aa=0; /* temporary amino acid for input */ if (progress) putchar('\n'); j = nmlngth + (chars + (chars - 1) / 10) / 2 - 5; if (j < nmlngth - 1) j = nmlngth - 1; if (j > 37) j = 37; if (printdata) { fprintf(outfile, "\nName"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "Sequences\n"); fprintf(outfile, "----"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "---------\n\n"); } aasread = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp) { if ((interleaved && aasread == 0) || !interleaved) initname(i-1); if (interleaved) j = aasread; else j = 0; done = false; while (((!done) && (!(eoln(infile) | eoff(infile))))) { if (interleaved) done = true; while (((j < chars) & (!(eoln(infile) | eoff(infile))))) { charstate = gettc(infile); if (charstate == '\n') charstate = ' '; if (charstate == ' ' || (charstate >= '0' && charstate <= '9')) continue; protdist_uppercase(&charstate); if ((!isalpha(charstate) && charstate != '.' && charstate != '?' && charstate != '-' && charstate != '*') || charstate == 'J' || charstate == 'O' || charstate == 'U' || charstate == '.') { printf("ERROR -- bad amino acid: %c at position %ld of species %3ld\n", charstate, j, i); if (charstate == '.') { printf(" Periods (.) may not be used as gap characters.\n"); printf(" The correct gap character is (-)\n"); } exxit(-1); } j++; switch (charstate) { case 'A': aa = ala; break; case 'B': aa = asx; break; case 'C': aa = cys; break; case 'D': aa = asp; break; case 'E': aa = glu; break; case 'F': aa = phe; break; case 'G': aa = gly; break; case 'H': aa = his; break; case 'I': aa = ileu; break; case 'K': aa = lys; break; case 'L': aa = leu; break; case 'M': aa = met; break; case 'N': aa = asn; break; case 'P': aa = pro; break; case 'Q': aa = gln; break; case 'R': aa = arg; break; case 'S': aa = ser; break; case 'T': aa = thr; break; case 'V': aa = val; break; case 'W': aa = trp; break; case 'X': aa = unk; break; case 'Y': aa = tyr; break; case 'Z': aa = glx; break; case '*': aa = stop; break; case '?': aa = quest; break; case '-': aa = del; break; } gnode[i - 1][j - 1] = aa; } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) aasnew = j; scan_eoln(infile); if ((interleaved && j != aasnew) || ((!interleaved) && j != chars)){ printf("ERROR: SEQUENCES OUT OF ALIGNMENT\n"); exxit(-1);} i++; } if (interleaved) { aasread = aasnew; allread = (aasread == chars); } else allread = (i > spp); } if ( printdata) { for (i = 1; i <= ((chars - 1) / 60 + 1); i++) { for (j = 1; j <= spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j - 1][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > chars) l = chars; for (k = (i - 1) * 60 + 1; k <= l; k++) { if (j > 1 && gnode[j - 1][k - 1] == gnode[0][k - 1]) charstate = '.'; else { switch (gnode[j - 1][k - 1]) { case ala: charstate = 'A'; break; case asx: charstate = 'B'; break; case cys: charstate = 'C'; break; case asp: charstate = 'D'; break; case glu: charstate = 'E'; break; case phe: charstate = 'F'; break; case gly: charstate = 'G'; break; case his: charstate = 'H'; break; case ileu: charstate = 'I'; break; case lys: charstate = 'K'; break; case leu: charstate = 'L'; break; case met: charstate = 'M'; break; case asn: charstate = 'N'; break; case pro: charstate = 'P'; break; case gln: charstate = 'Q'; break; case arg: charstate = 'R'; break; case ser: charstate = 'S'; break; case thr: charstate = 'T'; break; case val: charstate = 'V'; break; case trp: charstate = 'W'; break; case tyr: charstate = 'Y'; break; case glx: charstate = 'Z'; break; case del: charstate = '-'; break; case stop: charstate = '*'; break; case unk: charstate = 'X'; break; case quest: charstate = '?'; break; default: /*cases ser1 and ser2 cannot occur*/ break; } } putc(charstate, outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } if (printdata) putc('\n', outfile); } /* protdist_inputdata */ void doinput() { /* reads the input data */ long i; double sumrates, weightsum; inputoptions(); protdist_inputdata(); if (!ctgry) { categs = 1; rate[0] = 1.0; } weightsum = 0; for (i = 0; i < chars; i++) weightsum += oldweight[i]; sumrates = 0.0; for (i = 0; i < chars; i++) sumrates += oldweight[i] * rate[category[i] - 1]; for (i = 0; i < categs; i++) rate[i] *= weightsum / sumrates; } /* doinput */ void code() { /* make up table of the code 1 = u, 2 = c, 3 = a, 4 = g */ long n; aas b; trans[0][0][0] = phe; trans[0][0][1] = phe; trans[0][0][2] = leu; trans[0][0][3] = leu; trans[0][1][0] = ser; trans[0][1][1] = ser; trans[0][1][2] = ser; trans[0][1][3] = ser; trans[0][2][0] = tyr; trans[0][2][1] = tyr; trans[0][2][2] = stop; trans[0][2][3] = stop; trans[0][3][0] = cys; trans[0][3][1] = cys; trans[0][3][2] = stop; trans[0][3][3] = trp; trans[1][0][0] = leu; trans[1][0][1] = leu; trans[1][0][2] = leu; trans[1][0][3] = leu; trans[1][1][0] = pro; trans[1][1][1] = pro; trans[1][1][2] = pro; trans[1][1][3] = pro; trans[1][2][0] = his; trans[1][2][1] = his; trans[1][2][2] = gln; trans[1][2][3] = gln; trans[1][3][0] = arg; trans[1][3][1] = arg; trans[1][3][2] = arg; trans[1][3][3] = arg; trans[2][0][0] = ileu; trans[2][0][1] = ileu; trans[2][0][2] = ileu; trans[2][0][3] = met; trans[2][1][0] = thr; trans[2][1][1] = thr; trans[2][1][2] = thr; trans[2][1][3] = thr; trans[2][2][0] = asn; trans[2][2][1] = asn; trans[2][2][2] = lys; trans[2][2][3] = lys; trans[2][3][0] = ser; trans[2][3][1] = ser; trans[2][3][2] = arg; trans[2][3][3] = arg; trans[3][0][0] = val; trans[3][0][1] = val; trans[3][0][2] = val; trans[3][0][3] = val; trans[3][1][0] = ala; trans[3][1][1] = ala; trans[3][1][2] = ala; trans[3][1][3] = ala; trans[3][2][0] = asp; trans[3][2][1] = asp; trans[3][2][2] = glu; trans[3][2][3] = glu; trans[3][3][0] = gly; trans[3][3][1] = gly; trans[3][3][2] = gly; trans[3][3][3] = gly; if (whichcode == mito) trans[0][3][2] = trp; if (whichcode == vertmito) { trans[0][3][2] = trp; trans[2][3][2] = stop; trans[2][3][3] = stop; trans[2][0][2] = met; } if (whichcode == flymito) { trans[0][3][2] = trp; trans[2][0][2] = met; trans[2][3][2] = ser; } if (whichcode == yeastmito) { trans[0][3][2] = trp; trans[1][0][2] = thr; trans[2][0][2] = met; } n = 0; for (b = ala; (long)b <= (long)val; b = (aas)((long)b + 1)) { if (b != ser2) { n++; numaa[(long)b - (long)ala] = n; } } numaa[(long)ser - (long)ala] = (long)ser1 - (long)(ala); } /* code */ void protdist_cats() { /* define categories of amino acids */ aas b; /* fundamental subgroups */ cat[0] = 1; /* for alanine */ cat[(long)cys - (long)ala] = 1; cat[(long)met - (long)ala] = 2; cat[(long)val - (long)ala] = 3; cat[(long)leu - (long)ala] = 3; cat[(long)ileu - (long)ala] = 3; cat[(long)gly - (long)ala] = 4; cat[0] = 4; cat[(long)ser - (long)ala] = 4; cat[(long)thr - (long)ala] = 4; cat[(long)pro - (long)ala] = 5; cat[(long)phe - (long)ala] = 6; cat[(long)tyr - (long)ala] = 6; cat[(long)trp - (long)ala] = 6; cat[(long)glu - (long)ala] = 7; cat[(long)gln - (long)ala] = 7; cat[(long)asp - (long)ala] = 7; cat[(long)asn - (long)ala] = 7; cat[(long)lys - (long)ala] = 8; cat[(long)arg - (long)ala] = 8; cat[(long)his - (long)ala] = 8; if (whichcat == george) { /* George, Hunt and Barker: sulfhydryl, small hydrophobic, small hydrophilic, aromatic, acid/acid-amide/hydrophilic, basic */ for (b = ala; (long)b <= (long)val; b = (aas)((long)b + 1)) { if (cat[(long)b - (long)ala] == 3) cat[(long)b - (long)ala] = 2; if (cat[(long)b - (long)ala] == 5) cat[(long)b - (long)ala] = 4; } } if (whichcat == chemical) { /* Conn and Stumpf: monoamino, aliphatic, heterocyclic, aromatic, dicarboxylic, basic */ for (b = ala; (long)b <= (long)val; b = (aas)((long)b + 1)) { if (cat[(long)b - (long)ala] == 2) cat[(long)b - (long)ala] = 1; if (cat[(long)b - (long)ala] == 4) cat[(long)b - (long)ala] = 3; } } /* Ben Hall's personal opinion */ if (whichcat != hall) return; for (b = ala; (long)b <= (long)val; b = (aas)((long)b + 1)) { if (cat[(long)b - (long)ala] == 3) cat[(long)b - (long)ala] = 2; } } /* protdist_cats */ void maketrans() { /* Make up transition probability matrix from code and category tables */ long i, j, k, m, n, s, nb1, nb2; double x, sum; long sub[3], newsub[3]; double f[4], g[4]; aas b1, b2; double TEMP, TEMP1, TEMP2, TEMP3; for (i = 0; i <= 19; i++) { pie[i] = 0.0; for (j = 0; j <= 19; j++) prob[i][j] = 0.0; } f[0] = freqt; f[1] = freqc; f[2] = freqa; f[3] = freqg; g[0] = freqc + freqt; g[1] = freqc + freqt; g[2] = freqa + freqg; g[3] = freqa + freqg; TEMP = f[0]; TEMP1 = f[1]; TEMP2 = f[2]; TEMP3 = f[3]; fracchange = xi * (2 * f[0] * f[1] / g[0] + 2 * f[2] * f[3] / g[2]) + xv * (1 - TEMP * TEMP - TEMP1 * TEMP1 - TEMP2 * TEMP2 - TEMP3 * TEMP3); sum = 0.0; for (i = 0; i <= 3; i++) { for (j = 0; j <= 3; j++) { for (k = 0; k <= 3; k++) { if (trans[i][j][k] != stop) sum += f[i] * f[j] * f[k]; } } } for (i = 0; i <= 3; i++) { sub[0] = i + 1; for (j = 0; j <= 3; j++) { sub[1] = j + 1; for (k = 0; k <= 3; k++) { sub[2] = k + 1; b1 = trans[i][j][k]; for (m = 0; m <= 2; m++) { s = sub[m]; for (n = 1; n <= 4; n++) { memcpy(newsub, sub, sizeof(long) * 3L); newsub[m] = n; x = f[i] * f[j] * f[k] / (3.0 * sum); if (((s == 1 || s == 2) && (n == 3 || n == 4)) || ((n == 1 || n == 2) && (s == 3 || s == 4))) x *= xv * f[n - 1]; else x *= xi * f[n - 1] / g[n - 1] + xv * f[n - 1]; b2 = trans[newsub[0] - 1][newsub[1] - 1][newsub[2] - 1]; if (b1 != stop) { nb1 = numaa[(long)b1 - (long)ala]; pie[nb1 - 1] += x; if (b2 != stop) { nb2 = numaa[(long)b2 - (long)ala]; if (cat[(long)b1 - (long)ala] != cat[(long)b2 - (long)ala]) { prob[nb1 - 1][nb2 - 1] += x * ease; prob[nb1 - 1][nb1 - 1] += x * (1.0 - ease); } else prob[nb1 - 1][nb2 - 1] += x; } else prob[nb1 - 1][nb1 - 1] += x; } } } } } } for (i = 0; i <= 19; i++) prob[i][i] -= pie[i]; for (i = 0; i <= 19; i++) { for (j = 0; j <= 19; j++) prob[i][j] /= sqrt(pie[i] * pie[j]); } /* computes pi^(1/2)*B*pi^(-1/2) */ } /* maketrans */ void givens(double (*a)[20], long i, long j, long n, double ctheta, double stheta, boolean left) { /* Givens transform at i,j for 1..n with angle theta */ long k; double d; for (k = 0; k < n; k++) { if (left) { d = ctheta * a[i - 1][k] + stheta * a[j - 1][k]; a[j - 1][k] = ctheta * a[j - 1][k] - stheta * a[i - 1][k]; a[i - 1][k] = d; } else { d = ctheta * a[k][i - 1] + stheta * a[k][j - 1]; a[k][j - 1] = ctheta * a[k][j - 1] - stheta * a[k][i - 1]; a[k][i - 1] = d; } } } /* givens */ void coeffs(double x, double y, double *c, double *s, double accuracy) { /* compute cosine and sine of theta */ double root; root = sqrt(x * x + y * y); if (root < accuracy) { *c = 1.0; *s = 0.0; } else { *c = x / root; *s = y / root; } } /* coeffs */ void tridiag(double (*a)[20], long n, double accuracy) { /* Givens tridiagonalization */ long i, j; double s, c; for (i = 2; i < n; i++) { for (j = i + 1; j <= n; j++) { coeffs(a[i - 2][i - 1], a[i - 2][j - 1], &c, &s,accuracy); givens(a, i, j, n, c, s, true); givens(a, i, j, n, c, s, false); givens(eigvecs, i, j, n, c, s, true); } } } /* tridiag */ void shiftqr(double (*a)[20], long n, double accuracy) { /* QR eigenvalue-finder */ long i, j; double approx, s, c, d, TEMP, TEMP1; for (i = n; i >= 2; i--) { do { TEMP = a[i - 2][i - 2] - a[i - 1][i - 1]; TEMP1 = a[i - 1][i - 2]; d = sqrt(TEMP * TEMP + TEMP1 * TEMP1); approx = a[i - 2][i - 2] + a[i - 1][i - 1]; if (a[i - 1][i - 1] < a[i - 2][i - 2]) approx = (approx - d) / 2.0; else approx = (approx + d) / 2.0; for (j = 0; j < i; j++) a[j][j] -= approx; for (j = 1; j < i; j++) { coeffs(a[j - 1][j - 1], a[j][j - 1], &c, &s, accuracy); givens(a, j, j + 1, i, c, s, true); givens(a, j, j + 1, i, c, s, false); givens(eigvecs, j, j + 1, n, c, s, true); } for (j = 0; j < i; j++) a[j][j] += approx; } while (fabs(a[i - 1][i - 2]) > accuracy); } } /* shiftqr */ void qreigen(double (*prob)[20], long n) { /* QR eigenvector/eigenvalue method for symmetric matrix */ double accuracy; long i, j; accuracy = 1.0e-6; for (i = 0; i < n; i++) { for (j = 0; j < n; j++) eigvecs[i][j] = 0.0; eigvecs[i][i] = 1.0; } tridiag(prob, n, accuracy); shiftqr(prob, n, accuracy); for (i = 0; i < n; i++) eig[i] = prob[i][i]; for (i = 0; i <= 19; i++) { for (j = 0; j <= 19; j++) prob[i][j] = sqrt(pie[j]) * eigvecs[i][j]; } /* prob[i][j] is the value of U' times pi^(1/2) */ } /* qreigen */ void pameigen() { /* eigenanalysis for PAM matrix, precomputed */ memcpy(prob,pamprobs,sizeof(pamprobs)); memcpy(eig,pameigs,sizeof(pameigs)); fracchange = 0.01; } /* pameigen */ void jtteigen() { /* eigenanalysis for JTT matrix, precomputed */ memcpy(prob,jttprobs,sizeof(jttprobs)); memcpy(eig,jtteigs,sizeof(jtteigs)); fracchange = 0.01; } /* jtteigen */ void predict(long nb1, long nb2, long cat) { /* make contribution to prediction of this aa pair */ long m; double TEMP; for (m = 0; m <= 19; m++) { if (gama || invar) elambdat = exp(-cvi*log(1.0-rate[cat-1]*tt*(eig[m]/(1.0-invarfrac))/cvi)); else elambdat = exp(rate[cat-1]*tt * eig[m]); q = prob[m][nb1 - 1] * prob[m][nb2 - 1] * elambdat; p += q; if (!gama && !invar) dp += rate[cat-1]*eig[m] * q; else dp += (rate[cat-1]*eig[m]/(1.0-rate[cat-1]*tt*(eig[m]/(1.0-invarfrac))/cvi)) * q; TEMP = eig[m]; if (!gama && !invar) d2p += TEMP * TEMP * q; else d2p += (rate[cat-1]*rate[cat-1]*eig[m]*eig[m]*(1.0+1.0/cvi)/ ((1.0-rate[cat-1]*tt*eig[m]/cvi) *(1.0-rate[cat-1]*tt*eig[m]/cvi))) * q; } if (nb1 == nb2) { p *= (1.0 - invarfrac); p += invarfrac; } dp *= (1.0 - invarfrac); d2p *= (1.0 - invarfrac); } /* predict */ void makedists() { /* compute the distances */ long i, j, k, m, n, itterations, nb1, nb2, cat; double delta, lnlike, slope, curv; boolean neginfinity, inf; aas b1, b2; if (!(printdata || similarity)) fprintf(outfile, "%5ld\n", spp); if (progress) printf("Computing distances:\n"); for (i = 1; i <= spp; i++) { if (progress) printf(" "); if (progress) { for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); } if (progress) { printf(" "); fflush(stdout); } if (similarity) d[i-1][i-1] = 1.0; else d[i-1][i-1] = 0.0; for (j = 0; j <= i - 2; j++) { if (!(kimura || similarity)) { if (usejtt || usepam) tt = 10.0; else tt = 1.0; delta = tt / 2.0; itterations = 0; inf = false; do { lnlike = 0.0; slope = 0.0; curv = 0.0; neginfinity = false; for (k = 0; k < chars; k++) { if (oldweight[k] > 0) { cat = category[k]; b1 = gnode[i - 1][k]; b2 = gnode[j][k]; if (b1 != stop && b1 != del && b1 != quest && b1 != unk && b2 != stop && b2 != del && b2 != quest && b2 != unk) { p = 0.0; dp = 0.0; d2p = 0.0; nb1 = numaa[(long)b1 - (long)ala]; nb2 = numaa[(long)b2 - (long)ala]; if (b1 != asx && b1 != glx && b2 != asx && b2 != glx) predict(nb1, nb2, cat); else { if (b1 == asx) { if (b2 == asx) { predict(3L, 3L, cat); predict(3L, 4L, cat); predict(4L, 3L, cat); predict(4L, 4L, cat); } else { if (b2 == glx) { predict(3L, 6L, cat); predict(3L, 7L, cat); predict(4L, 6L, cat); predict(4L, 7L, cat); } else { predict(3L, nb2, cat); predict(4L, nb2, cat); } } } else { if (b1 == glx) { if (b2 == asx) { predict(6L, 3L, cat); predict(6L, 4L, cat); predict(7L, 3L, cat); predict(7L, 4L, cat); } else { if (b2 == glx) { predict(6L, 6L, cat); predict(6L, 7L, cat); predict(7L, 6L, cat); predict(7L, 7L, cat); } else { predict(6L, nb2, cat); predict(7L, nb2, cat); } } } else { if (b2 == asx) { predict(nb1, 3L, cat); predict(nb1, 4L, cat); predict(nb1, 3L, cat); predict(nb1, 4L, cat); } else if (b2 == glx) { predict(nb1, 6L, cat); predict(nb1, 7L, cat); predict(nb1, 6L, cat); predict(nb1, 7L, cat); } } } } if (p <= 0.0) neginfinity = true; else { lnlike += oldweight[k]*log(p); slope += oldweight[k]*dp / p; curv += oldweight[k]*(d2p / p - dp * dp / (p * p)); } } } } itterations++; if (!neginfinity) { if (curv < 0.0) { tt -= slope / curv; if (tt > 10000.0) { printf("\nWARNING: INFINITE DISTANCE BETWEEN SPECIES %ld AND %ld; -1.0 WAS WRITTEN\n", i, j); tt = -1.0/fracchange; inf = true; itterations = 20; } } else { if ((slope > 0.0 && delta < 0.0) || (slope < 0.0 && delta > 0.0)) delta /= -2; tt += delta; } } else { delta /= -2; tt += delta; } if (tt < epsilon && !inf) tt = epsilon; } while (itterations != 20); } else { m = 0; n = 0; for (k = 0; k < chars; k++) { b1 = gnode[i - 1][k]; b2 = gnode[j][k]; if ((long)b1 <= (long)val && (long)b2 <= (long)val) { if (b1 == b2) m++; n++; } } p = 1 - (double)m / n; if (kimura) { dp = 1.0 - p - 0.2 * p * p; if (dp < 0.0) { printf( "\nDISTANCE BETWEEN SEQUENCES %3ld AND %3ld IS TOO LARGE FOR KIMURA FORMULA\n", i, j + 1); tt = -1.0; } else tt = -log(dp); } else { /* if similarity */ tt = 1.0 - p; } } d[i - 1][j] = fracchange * tt; d[j][i - 1] = d[i - 1][j]; if (progress) { putchar('.'); fflush(stdout); } } if (progress) { putchar('\n'); fflush(stdout); } } if (!similarity) { for (i = 0; i < spp; i++) { for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); k = spp; for (j = 1; j <= k; j++) { fprintf(outfile, "%8.4f", d[i][j - 1]); if ((j + 1) % 9 == 0 && j < k) putc('\n', outfile); } putc('\n', outfile); } } else { for (i = 0; i < spp; i += 7) { if ((i+7) < spp) n = i+7; else n = spp; fprintf(outfile, " "); for (j = i; j < n ; j++) { for (k = 0; k < (nmlngth-2); k++) putc(nayme[j][k], outfile); putc(' ', outfile); } putc('\n', outfile); for (j = 0; j < spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j][k], outfile); if ((i+7) < spp) n = i+7; else n = spp; for (k = i; k < n ; k++) fprintf(outfile, "%9.5f", d[j][k]); putc('\n', outfile); } putc('\n', outfile); } } if (progress) printf("\nOutput written to file \"%s\"\n\n", outfilename); } /* makedists */ int main(int argc, Char *argv[]) { /* ML Protein distances by PAM, JTT or categories model */ #ifdef MAC argc = 1; /* macsetup("Protdist",""); */ argv[0] = "Protdist"; #endif init(argc, argv); openfile(&infile,INFILE,"input file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; datasets = 1; firstset = true; doinit(); if (!(kimura || similarity)) code(); if (!(usejtt || usepam || kimura || similarity)) { protdist_cats(); maketrans(); qreigen(prob, 20L); } else { if (kimura || similarity) fracchange = 1.0; else { if (usejtt) jtteigen(); else pameigen(); } } if (ctgry) openfile(&catfile,CATFILE,"categories file","r",argv[0],catfilename); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); for (ith = 1; ith <= datasets; ith++) { doinput(); if (ith == 1) firstset = false; if ((datasets > 1) && progress) printf("\nData set # %ld:\n\n", ith); makedists(); } FClose(outfile); FClose(infile); #ifdef MAC fixmacfile(outfilename); #endif return 0; } /* Protein distances */ ./arbsrc_9167/GDE/PHYLIP/protpars.c0000644012664100000130000014302611213220011016546 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxtrees 100 /* maximum number of tied trees stored */ typedef enum { universal, ciliate, mito, vertmito, flymito, yeastmito } codetype; /* nodes will form a binary tree */ typedef struct gseq { seqptr seq; struct gseq *next; } gseq; #ifndef OLDC /* function prototypes */ void protgnu(gseq **); void protchuck(gseq *); void code(void); void setup(void); void getoptions(void); void protalloctree(void); void allocrest(void); void doinit(void); void protinputdata(void); void protmakevalues(void); void doinput(void); void protfillin(node *, node *, node *); void protpreorder(node *); void protadd(node *, node *, node *); void protre_move(node **, node **); void evaluate(node *); void protpostorder(node *); void protreroot(node *); void protsavetraverse(node *, long *, boolean *); void protsavetree(long *, boolean *); void tryadd(node *, node **, node **); void addpreorder(node *, node *, node *); void tryrearr(node *, boolean *); void repreorder(node *, boolean *); void rearrange(node **); void protgetch(Char *); void protaddelement(node **, long *, long *, boolean *); void prottreeread(void); void protancestset(long *, long *, long *, long *, long *); void prothyprint(long , long , boolean *, node *, boolean *, boolean *); void prothyptrav(node *, sitearray *, long, long, long *, boolean *, sitearray); void prothypstates(long *); void describe(void); void maketree(void); void reallocnode(node* p); void reallocchars(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH], weightfilename[FNMLNGTH]; node *root; long chars, col, msets, ith, njumble, jumb; /* chars = number of sites in actual sequences */ long inseed, inseed0; boolean jumble, usertree, weights, thresh, trout, progress, stepbox, justwts, ancseq, mulsets, firstset; codetype whichcode; long fullset, fulldel; pointarray treenode; /* pointers to all nodes in tree */ double threshold; steptr threshwt; longer seed; long *enterorder; sitearray translate[(long)quest - (long)ala + 1]; aas trans[4][4][4]; long **fsteps; bestelm *bestrees; boolean dummy; gseq *garbage; node *temp, *temp1; Char ch; aas tmpa; char *progname; /* Local variables for maketree, propagated globally for c version: */ long minwhich; double like, bestyet, bestlike, minsteps, bstlike2; boolean lastrearr, recompute; node *there; double nsteps[maxuser]; long *place; boolean *names; void protgnu(gseq **p) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (garbage != NULL) { *p = garbage; free((*p)->seq); (*p)->seq = (seqptr)Malloc(chars*sizeof(sitearray)); garbage = garbage->next; } else { *p = (gseq *)Malloc(sizeof(gseq)); (*p)->seq = (seqptr)Malloc(chars*sizeof(sitearray)); } (*p)->next = NULL; } /* protgnu */ void protchuck(gseq *p) { /* collect garbage on p -- put it on front of garbage list */ p->next = garbage; garbage = p; } /* protchuck */ void code() { /* make up table of the code 1 = u, 2 = c, 3 = a, 4 = g */ trans[0][0][0] = phe; trans[0][0][1] = phe; trans[0][0][2] = leu; trans[0][0][3] = leu; trans[0][1][0] = ser; trans[0][1][1] = ser1; trans[0][1][2] = ser1; trans[0][1][3] = ser1; trans[0][2][0] = tyr; trans[0][2][1] = tyr; trans[0][2][2] = stop; trans[0][2][3] = stop; trans[0][3][0] = cys; trans[0][3][1] = cys; trans[0][3][2] = stop; trans[0][3][3] = trp; trans[1][0][0] = leu; trans[1][0][1] = leu; trans[1][0][2] = leu; trans[1][0][3] = leu; trans[1][1][0] = pro; trans[1][1][1] = pro; trans[1][1][2] = pro; trans[1][1][3] = pro; trans[1][2][0] = his; trans[1][2][1] = his; trans[1][2][2] = gln; trans[1][2][3] = gln; trans[1][3][0] = arg; trans[1][3][1] = arg; trans[1][3][2] = arg; trans[1][3][3] = arg; trans[2][0][0] = ileu; trans[2][0][1] = ileu; trans[2][0][2] = ileu; trans[2][0][3] = met; trans[2][1][0] = thr; trans[2][1][1] = thr; trans[2][1][2] = thr; trans[2][1][3] = thr; trans[2][2][0] = asn; trans[2][2][1] = asn; trans[2][2][2] = lys; trans[2][2][3] = lys; trans[2][3][0] = ser2; trans[2][3][1] = ser2; trans[2][3][2] = arg; trans[2][3][3] = arg; trans[3][0][0] = val; trans[3][0][1] = val; trans[3][0][2] = val; trans[3][0][3] = val; trans[3][1][0] = ala; trans[3][1][1] = ala; trans[3][1][2] = ala; trans[3][1][3] = ala; trans[3][2][0] = asp; trans[3][2][1] = asp; trans[3][2][2] = glu; trans[3][2][3] = glu; trans[3][3][0] = gly; trans[3][3][1] = gly; trans[3][3][2] = gly; trans[3][3][3] = gly; if (whichcode == mito) trans[0][3][2] = trp; if (whichcode == vertmito) { trans[0][3][2] = trp; trans[2][3][2] = stop; trans[2][3][3] = stop; trans[2][0][2] = met; } if (whichcode == flymito) { trans[0][3][2] = trp; trans[2][0][2] = met; trans[2][3][2] = ser2; } if (whichcode == yeastmito) { trans[0][3][2] = trp; trans[1][0][2] = thr; trans[2][0][2] = met; } } /* code */ void setup() { /* set up set table to get aasets from aas */ aas a, b; long i, j, k, l, s; for (a = ala; (long)a <= (long)stop; a = (aas)((long)a + 1)) { translate[(long)a - (long)ala][0] = 1L << ((long)a); translate[(long)a - (long)ala][1] = 1L << ((long)a); } for (i = 0; i <= 3; i++) { for (j = 0; j <= 3; j++) { for (k = 0; k <= 3; k++) { for (l = 0; l <= 3; l++) { translate[(long)trans[i][j][k]][1] |= (1L << (long)trans[l][j][k]); translate[(long)trans[i][j][k]][1] |= (1L << (long)trans[i][l][k]); translate[(long)trans[i][j][k]][1] |= (1L << (long)trans[i][j][l]); } } } } translate[(long)del - (long)ala][1] = 1L << ((long)del); fulldel = (1L << ((long)stop + 1)) - (1L << ((long)ala)); fullset = fulldel & (~(1L << ((long)del))); translate[(long)asx - (long)ala][0] = (1L << ((long)asn)) | (1L << ((long)asp)); translate[(long)glx - (long)ala][0] = (1L << ((long)gln)) | (1L << ((long)glu)); translate[(long)ser - (long)ala][0] = (1L << ((long)ser1)) | (1L << ((long)ser2)); translate[(long)unk - (long)ala][0] = fullset; translate[(long)quest - (long)ala][0] = fulldel; translate[(long)asx - (long)ala][1] = translate[(long)asn - (long)ala][1] | translate[(long)asp - (long)ala][1]; translate[(long)glx - (long)ala][1] = translate[(long)gln - (long)ala][1] | translate[(long)glu - (long)ala][1]; translate[(long)ser - (long)ala][1] = translate[(long)ser1 - (long)ala][1] | translate[(long)ser2 - (long)ala][1]; translate[(long)unk - (long)ala][1] = fullset; translate[(long)quest - (long)ala][1] = fulldel; for (a = ala; (long)a <= (long)quest; a = (aas)((long)a + 1)) { s = 0; for (b = ala; (long)b <= (long)stop; b = (aas)((long)b + 1)) { if (((1L << ((long)b)) & translate[(long)a - (long)ala][1]) != 0) s |= translate[(long)b - (long)ala][1]; } translate[(long)a - (long)ala][2] = s; } } /* setup */ void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch, ch2; fprintf(outfile, "\nProtein parsimony algorithm, version %s\n\n",VERSION); putchar('\n'); jumble = false; njumble = 1; outgrno = 1; outgropt = false; thresh = false; trout = true; usertree = false; weights = false; whichcode = universal; printdata = false; progress = true; treeprint = true; stepbox = false; ancseq = false; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nProtein parsimony algorithm, version %s\n\n",VERSION); printf("Setting for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (!usertree) { printf(" J Randomize input order of sequences?"); if (jumble) printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf(" No. Use input order\n"); } printf(" O Outgroup root?"); if (outgropt) printf(" Yes, at sequence number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); printf(" T Use Threshold parsimony?"); if (thresh) printf(" Yes, count steps up to%4.1f per site\n", threshold); else printf(" No, use ordinary parsimony\n"); printf(" C Use which genetic code? %s\n", (whichcode == universal) ? "Universal" : (whichcode == ciliate) ? "Ciliate" : (whichcode == mito) ? "Universal mitochondrial" : (whichcode == vertmito) ? "Vertebrate mitochondrial" : (whichcode == flymito) ? "Fly mitochondrial" : (whichcode == yeastmito) ? "Yeast mitochondrial" : ""); printf(" W Sites weighted? %s\n", (weights ? "Yes" : "No")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld %s\n", msets, (justwts ? "sets of weights" : "data sets")); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)")); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Print out steps in each site %s\n", (stepbox ? "Yes" : "No")); printf(" 5 Print sequences at all nodes of tree %s\n", (ancseq ? "Yes" : "No")); printf(" 6 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); if(weights && justwts){ printf( "WARNING: W option and Multiple Weights options are both on. "); printf( "The W menu option is unnecessary and has no additional effect. \n"); } printf( "\nAre these settings correct? (type Y or the letter for one to change)\n"); scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if (strchr("WCJOTUMI1234560",ch) != NULL){ switch (ch) { case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'W': weights = !weights; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); else outgrno = 1; break; case 'T': thresh = !thresh; if (thresh) initthreshold(&threshold); break; case 'C': printf("\nWhich genetic code?\n"); printf(" type for\n\n"); printf(" U Universal\n"); printf(" M Mitochondrial\n"); printf(" V Vertebrate mitochondrial\n"); printf(" F Fly mitochondrial\n"); printf(" Y Yeast mitochondrial\n\n"); loopcount2 = 0; do { printf("type U, M, V, F, or Y\n"); scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); countup(&loopcount2, 10); } while (ch != 'U' && ch != 'M' && ch != 'V' && ch != 'F' && ch != 'Y'); switch (ch) { case 'U': whichcode = universal; break; case 'M': whichcode = mito; break; case 'V': whichcode = vertmito; break; case 'F': whichcode = flymito; break; case 'Y': whichcode = yeastmito; break; } break; case 'M': mulsets = !mulsets; if (mulsets){ printf("Multiple data sets or multiple weights?"); loopcount2 = 0; do { printf(" (type D or W)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch2); getchar(); if (ch2 == '\n') ch2 = ' '; uppercase(&ch2); countup(&loopcount2, 10); } while ((ch2 != 'W') && (ch2 != 'D')); justwts = (ch2 == 'W'); if (justwts) justweights(&msets); else initdatasets(&msets); if (!jumble) { jumble = true; initjumble(&inseed, &inseed0, seed, &njumble); } } break; case 'I': interleaved = !interleaved; break; case 'U': usertree = !usertree; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': stepbox = !stepbox; break; case '5': ancseq = !ancseq; break; case '6': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void protalloctree() { /* allocate treenode dynamically */ long i, j; node *p, *q; treenode = (pointarray)Malloc(nonodes*sizeof(node *)); for (i = 0; i < (spp); i++) { treenode[i] = (node *)Malloc(sizeof(node)); treenode[i]->numsteps = (steptr)Malloc(chars*sizeof(long)); treenode[i]->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); treenode[i]->seq = (aas *)Malloc(chars*sizeof(aas)); } for (i = spp; i < (nonodes); i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node *)Malloc(sizeof(node)); p->numsteps = (steptr)Malloc(chars*sizeof(long)); p->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); p->seq = (aas *)Malloc(chars*sizeof(aas)); p->next = q; q = p; } p->next->next->next = p; treenode[i] = p; } } /* protalloctree */ void reallocnode(node* p) { free(p->numsteps); free(p->siteset); free(p->seq); p->numsteps = (steptr)Malloc(chars*sizeof(long)); p->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); p->seq = (aas *)Malloc(chars*sizeof(aas)); } void reallocchars(void) { /* reallocates variables that are dependand on the number of chars * do we need to reallocate the garbage list too? */ long i; node *p; if (usertree) for (i = 0; i < maxuser; i++) { free(fsteps[i]); fsteps[i] = (long *)Malloc(chars*sizeof(long)); } for (i = 0; i < nonodes; i++) { reallocnode(treenode[i]); if (i >= spp) { p=treenode[i]->next; while (p != treenode[i]) { reallocnode(p); p = p->next; } } } free(weight); free(threshwt); free(temp->numsteps); free(temp->siteset); free(temp->seq); free(temp1->numsteps); free(temp1->siteset); free(temp1->seq); weight = (steptr)Malloc(chars*sizeof(long)); threshwt = (steptr)Malloc(chars*sizeof(long)); temp->numsteps = (steptr)Malloc(chars*sizeof(long)); temp->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); temp->seq = (aas *)Malloc(chars*sizeof(aas)); temp1->numsteps = (steptr)Malloc(chars*sizeof(long)); temp1->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); temp1->seq = (aas *)Malloc(chars*sizeof(aas)); } void allocrest() { /* allocate remaining global arrays and variables dynamically */ long i; if (usertree) { fsteps = (long **)Malloc(maxuser*sizeof(long *)); for (i = 0; i < maxuser; i++) fsteps[i] = (long *)Malloc(chars*sizeof(long)); } bestrees = (bestelm *)Malloc(maxtrees*sizeof(bestelm)); for (i = 1; i <= maxtrees; i++) bestrees[i - 1].btree = (long *)Malloc(spp*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); place = (long *)Malloc(nonodes*sizeof(long)); weight = (steptr)Malloc(chars*sizeof(long)); threshwt = (steptr)Malloc(chars*sizeof(long)); temp = (node *)Malloc(sizeof(node)); temp->numsteps = (steptr)Malloc(chars*sizeof(long)); temp->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); temp->seq = (aas *)Malloc(chars*sizeof(aas)); temp1 = (node *)Malloc(sizeof(node)); temp1->numsteps = (steptr)Malloc(chars*sizeof(long)); temp1->siteset = (seqptr)Malloc(chars*sizeof(sitearray)); temp1->seq = (aas *)Malloc(chars*sizeof(aas)); } /* allocrest */ void doinit() { /* initializes variables */ inputnumbers(&spp, &chars, &nonodes, 1); getoptions(); if (printdata) fprintf(outfile, "%2ld species, %3ld sites\n\n", spp, chars); protalloctree(); allocrest(); } /* doinit*/ void protinputdata() { /* input the names and sequences for each species */ long i, j, k, l, aasread, aasnew = 0; Char charstate; boolean allread, done; aas aa; /* temporary amino acid for input */ if (printdata) headings(chars, "Sequences", "---------"); aasread = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) { fscanf(infile, "%*[^\n]"); gettc(infile); } i = 1; while (i <= spp) { if ((interleaved && aasread == 0) || !interleaved) initname(i - 1); j = interleaved ? aasread : 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < chars && !(eoln(infile) || eoff(infile))) { charstate = gettc(infile); if (charstate == ' ' || (charstate >= '0' && charstate <= '9')) continue; uppercase(&charstate); if ((!isalpha(charstate) && charstate != '?' && charstate != '-' && charstate != '*') || charstate == 'J' || charstate == 'O' || charstate == 'U') { printf("WARNING -- BAD AMINO ACID:%c",charstate); printf(" AT POSITION%5ld OF SPECIES %3ld\n",j,i); exxit(-1); } j++; aa = (charstate == 'A') ? ala : (charstate == 'B') ? asx : (charstate == 'C') ? cys : (charstate == 'D') ? asp : (charstate == 'E') ? glu : (charstate == 'F') ? phe : (charstate == 'G') ? gly : aa; aa = (charstate == 'H') ? his : (charstate == 'I') ? ileu : (charstate == 'K') ? lys : (charstate == 'L') ? leu : (charstate == 'M') ? met : (charstate == 'N') ? asn : (charstate == 'P') ? pro : (charstate == 'Q') ? gln : (charstate == 'R') ? arg : aa; aa = (charstate == 'S') ? ser : (charstate == 'T') ? thr : (charstate == 'V') ? val : (charstate == 'W') ? trp : (charstate == 'X') ? unk : (charstate == 'Y') ? tyr : (charstate == 'Z') ? glx : (charstate == '*') ? stop : (charstate == '?') ? quest: (charstate == '-') ? del : aa; treenode[i - 1]->seq[j - 1] = aa; memcpy(treenode[i - 1]->siteset[j - 1], translate[(long)aa - (long)ala], sizeof(sitearray)); } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) aasnew = j; scan_eoln(infile); if ((interleaved && j != aasnew) || ((!interleaved) && j != chars)){ printf("ERROR: SEQUENCES OUT OF ALIGNMENT\n"); exxit(-1);} i++; } if (interleaved) { aasread = aasnew; allread = (aasread == chars); } else allread = (i > spp); } if (printdata) { for (i = 1; i <= ((chars - 1) / 60 + 1); i++) { for (j = 1; j <= (spp); j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j - 1][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > chars) l = chars; for (k = (i - 1) * 60 + 1; k <= l; k++) { if (j > 1 && treenode[j - 1]->seq[k - 1] == treenode[0]->seq[k - 1]) charstate = '.'; else { tmpa = treenode[j-1]->seq[k-1]; charstate = (tmpa == ala) ? 'A' : (tmpa == asx) ? 'B' : (tmpa == cys) ? 'C' : (tmpa == asp) ? 'D' : (tmpa == glu) ? 'E' : (tmpa == phe) ? 'F' : (tmpa == gly) ? 'G' : (tmpa == his) ? 'H' : (tmpa ==ileu) ? 'I' : (tmpa == lys) ? 'K' : (tmpa == leu) ? 'L' : charstate; charstate = (tmpa == met) ? 'M' : (tmpa == asn) ? 'N' : (tmpa == pro) ? 'P' : (tmpa == gln) ? 'Q' : (tmpa == arg) ? 'R' : (tmpa == ser) ? 'S' : (tmpa ==ser1) ? 'S' : (tmpa ==ser2) ? 'S' : charstate; charstate = (tmpa == thr) ? 'T' : (tmpa == val) ? 'V' : (tmpa == trp) ? 'W' : (tmpa == unk) ? 'X' : (tmpa == tyr) ? 'Y' : (tmpa == glx) ? 'Z' : (tmpa == del) ? '-' : (tmpa ==stop) ? '*' : (tmpa==quest) ? '?' : charstate; } putc(charstate, outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } /* protinputdata */ void protmakevalues() { /* set up fractional likelihoods at tips */ long i, j; node *p; for (i = 1; i <= nonodes; i++) { treenode[i - 1]->back = NULL; treenode[i - 1]->tip = (i <= spp); treenode[i - 1]->index = i; for (j = 0; j < (chars); j++) treenode[i - 1]->numsteps[j] = 0; if (i > spp) { p = treenode[i - 1]->next; while (p != treenode[i - 1]) { p->back = NULL; p->tip = false; p->index = i; for (j = 0; j < (chars); j++) p->numsteps[j] = 0; p = p->next; } } } } /* protmakevalues */ void doinput() { /* reads the input data */ long i; if (justwts) { if (firstset) protinputdata(); for (i = 0; i < chars; i++) weight[i] = 1; inputweights(chars, weight, &weights); if (justwts) { fprintf(outfile, "\n\nWeights set # %ld:\n\n", ith); if (progress) printf("\nWeights set # %ld:\n\n", ith); } if (printdata) printweights(outfile, 0, chars, weight, "Sites"); } else { if (!firstset){ samenumsp(&chars, ith); reallocchars(); } for (i = 0; i < chars; i++) weight[i] = 1; if (weights) { inputweights(chars, weight, &weights); } if (weights) printweights(outfile, 0, chars, weight, "Sites"); protinputdata(); } if(!thresh) threshold = spp * 3.0; for(i = 0 ; i < (chars) ; i++){ weight[i]*=10; threshwt[i] = (long)(threshold * weight[i] + 0.5); } protmakevalues(); } /* doinput */ void protfillin(node *p, node *left, node *rt) { /* sets up for each node in the tree the aa set for site m at that point and counts the changes. The program spends much of its time in this function */ boolean counted; aas aa; long s = 0; sitearray ls, rs, qs; long i, m, n; for (m = 0; m < chars; m++) { if (left != NULL) memcpy(ls, left->siteset[m], sizeof(sitearray)); if (rt != NULL) memcpy(rs, rt->siteset[m], sizeof(sitearray)); if (left == NULL) { n = rt->numsteps[m]; memcpy(qs, rs, sizeof(sitearray)); } else if (rt == NULL) { n = left->numsteps[m]; memcpy(qs, ls, sizeof(sitearray)); } else { n = left->numsteps[m] + rt->numsteps[m]; if (ls[0] == rs[0]) { qs[0] = ls[0]; qs[1] = ls[1]; qs[2] = ls[2]; } else { counted = false; for (i = 0; (!counted) && (i <= 3); i++) { switch (i) { case 0: s = ls[0] & rs[0]; break; case 1: s = (ls[0] & rs[1]) | (ls[1] & rs[0]); break; case 2: s = (ls[0] & rs[2]) | (ls[1] & rs[1]) | (ls[2] & rs[0]); break; case 3: s = ls[0] | (ls[1] & rs[2]) | (ls[2] & rs[1]) | rs[0]; break; } if (s != 0) { qs[0] = s; counted = true; } else n += weight[m]; } qs[1] = 0; qs[2] = 0; for (i = 0; i <= 1; i++) { for (aa = ala; (long)aa <= (long)stop; aa = (aas)((long)aa + 1)) { if (((1L << ((long)aa)) & qs[i]) != 0) qs[i+1] |= translate[(long)aa - (long)ala][1]; } } } } p->numsteps[m] = n; memcpy(p->siteset[m], qs, sizeof(sitearray)); } } /* protfillin */ void protpreorder(node *p) { /* recompute number of steps in preorder taking both ancestoral and descendent steps into account */ if (p != NULL && !p->tip) { protfillin (p->next, p->next->next->back, p->back); protfillin (p->next->next, p->back, p->next->back); protpreorder (p->next->back); protpreorder (p->next->next->back); } } /* protpreorder */ void protadd(node *below, node *newtip, node *newfork) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant */ if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (root == below) root = newfork; root->back = NULL; if (recompute) { protfillin (newfork, newfork->next->back, newfork->next->next->back); protpreorder(newfork); if (newfork != root) protpreorder(newfork->back); } } /* protadd */ void protre_move(node **item, node **fork) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork */ node *p, *q, *other; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = treenode[(*item)->back->index - 1]; if ((*item) == (*fork)->next->back) other = (*fork)->next->next->back; else other = (*fork)->next->back; if (root == *fork) root = other; p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; do { p->back = NULL; p = p->next; } while (p != (*fork)); (*item)->back = NULL; if (recompute) { protpreorder(other); if (other != root) protpreorder(other->back); } } /* protre_move */ void evaluate(node *r) { /* determines the number of steps needed for a tree. this is the minimum number of steps needed to evolve sequences on this tree */ long i, steps, term; double sum; sum = 0.0; for (i = 0; i < (chars); i++) { steps = r->numsteps[i]; if (steps <= threshwt[i]) term = steps; else term = threshwt[i]; sum += term; if (usertree && which <= maxuser) fsteps[which - 1][i] = term; } if (usertree && which <= maxuser) { nsteps[which - 1] = sum; if (which == 1) { minwhich = 1; minsteps = sum; } else if (sum < minsteps) { minwhich = which; minsteps = sum; } } like = -sum; } /* evaluate */ void protpostorder(node *p) { /* traverses a binary tree, calling PROCEDURE fillin at a node's descendants before calling fillin at the node */ if (p->tip) return; protpostorder(p->next->back); protpostorder(p->next->next->back); protfillin(p, p->next->back, p->next->next->back); } /* protpostorder */ void protreroot(node *outgroup) { /* reorients tree, putting outgroup in desired position. */ node *p, *q; if (outgroup->back->index == root->index) return; p = root->next; q = root->next->next; p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; outgroup->back->back = q; outgroup->back = p; } /* protreroot */ void protsavetraverse(node *p, long *pos, boolean *found) { /* sets BOOLEANs that indicate which way is down */ p->bottom = true; if (p->tip) return; p->next->bottom = false; protsavetraverse(p->next->back, pos,found); p->next->next->bottom = false; protsavetraverse(p->next->next->back, pos,found); } /* protsavetraverse */ void protsavetree(long *pos, boolean *found) { /* record in place where each species has to be added to reconstruct this tree */ long i, j; node *p; boolean done; protreroot(treenode[outgrno - 1]); protsavetraverse(root, pos,found); for (i = 0; i < (nonodes); i++) place[i] = 0; place[root->index - 1] = 1; for (i = 1; i <= (spp); i++) { p = treenode[i - 1]; while (place[p->index - 1] == 0) { place[p->index - 1] = i; while (!p->bottom) p = p->next; p = p->back; } if (i > 1) { place[i - 1] = place[p->index - 1]; j = place[p->index - 1]; done = false; while (!done) { place[p->index - 1] = spp + i - 1; while (!p->bottom) p = p->next; p = p->back; done = (p == NULL); if (!done) done = (place[p->index - 1] != j); } } } } /* protsavetree */ void tryadd(node *p, node **item, node **nufork) { /* temporarily adds one fork and one tip to the tree. if the location where they are added yields greater "likelihood" than other locations tested up to that time, then keeps that location as there */ long pos; boolean found; node *rute, *q; if (p == root) protfillin(temp, *item, p); else { protfillin(temp1, *item, p); protfillin(temp, temp1, p->back); } evaluate(temp); if (lastrearr) { if (like < bestlike) { if ((*item) == (*nufork)->next->next->back) { q = (*nufork)->next; (*nufork)->next = (*nufork)->next->next; (*nufork)->next->next = q; q->next = (*nufork); } } else if (like >= bstlike2) { recompute = false; protadd(p, (*item), (*nufork)); rute = root->next->back; protsavetree(&pos,&found); protreroot(rute); if (like > bstlike2) { bestlike = bstlike2 = like; pos = 1; nextree = 1; addtree(pos, &nextree, dummy, place, bestrees); } else { pos = 0; findtree(&found, &pos, nextree, place, bestrees); if (!found) { if (nextree <= maxtrees) addtree(pos, &nextree, dummy, place, bestrees); } } protre_move (item, nufork); recompute = true; } } if (like > bestyet) { bestyet = like; there = p; } } /* tryadd */ void addpreorder(node *p, node *item, node *nufork) { /* traverses a binary tree, calling PROCEDURE tryadd at a node before calling tryadd at its descendants */ if (p == NULL) return; tryadd(p, &item,&nufork); if (!p->tip) { addpreorder(p->next->back, item, nufork); addpreorder(p->next->next->back, item, nufork); } } /* addpreorder */ void tryrearr(node *p, boolean *success) { /* evaluates one rearrangement of the tree. if the new tree has greater "likelihood" than the old one sets success := TRUE and keeps the new tree. otherwise, restores the old tree */ node *frombelow, *whereto, *forknode, *q; double oldlike; if (p->back == NULL) return; forknode = treenode[p->back->index - 1]; if (forknode->back == NULL) return; oldlike = bestyet; if (p->back->next->next == forknode) frombelow = forknode->next->next->back; else frombelow = forknode->next->back; whereto = treenode[forknode->back->index - 1]; if (whereto->next->back == forknode) q = whereto->next->next->back; else q = whereto->next->back; protfillin(temp1, frombelow, q); protfillin(temp, temp1, p); protfillin(temp1, temp, whereto->back); evaluate(temp1); if (like <= oldlike) { if (p == forknode->next->next->back) { q = forknode->next; forknode->next = forknode->next->next; forknode->next->next = q; q->next = forknode; } } else { recompute = false; protre_move(&p, &forknode); protfillin(whereto, whereto->next->back, whereto->next->next->back); recompute = true; protadd(whereto, p, forknode); *success = true; bestyet = like; } } /* tryrearr */ void repreorder(node *p, boolean *success) { /* traverses a binary tree, calling PROCEDURE tryrearr at a node before calling tryrearr at its descendants */ if (p == NULL) return; tryrearr(p,success); if (!p->tip) { repreorder(p->next->back,success); repreorder(p->next->next->back,success); } } /* repreorder */ void rearrange(node **r) { /* traverses the tree (preorder), finding any local rearrangement which decreases the number of steps. if traversal succeeds in increasing the tree's "likelihood", PROCEDURE rearrange runs traversal again */ boolean success = true; while (success) { success = false; repreorder(*r, &success); } } /* rearrange */ void protgetch(Char *c) { /* get next nonblank character */ do { if (eoln(intree)) scan_eoln(intree); *c = gettc(intree); if (*c == '\n' || *c == '\t') *c = ' '; } while (!(*c != ' ' || eoff(intree))); } /* protgetch */ void protaddelement(node **p,long *nextnode,long *lparens,boolean *names) { /* recursive procedure adds nodes to user-defined tree */ node *q; long i, n; boolean found; Char str[nmlngth]; protgetch(&ch); if (ch == '(' ) { if ((*lparens) >= spp - 1) { printf("\nERROR IN USER TREE: TOO MANY LEFT PARENTHESES\n"); exxit(-1); } (*nextnode)++; (*lparens)++; q = treenode[(*nextnode) - 1]; protaddelement(&q->next->back, nextnode,lparens,names); q->next->back->back = q->next; findch(',', &ch, which); protaddelement(&q->next->next->back, nextnode,lparens,names); q->next->next->back->back = q->next->next; findch(')', &ch, which); *p = q; return; } for (i = 0; i < nmlngth; i++) str[i] = ' '; n = 1; do { if (ch == '_') ch = ' '; str[n - 1] = ch; if (eoln(intree)) scan_eoln(intree); ch = gettc(intree); n++; } while (ch != ',' && ch != ')' && ch != ':' && n <= nmlngth); n = 1; do { found = true; for (i = 0; i < nmlngth; i++) found = (found && ((str[i] == nayme[n - 1][i]) || ((nayme[n - 1][i] == '_') && (str[i] == ' ')))); if (found) { if (names[n - 1] == false) { *p = treenode[n - 1]; names[n - 1] = true; } else { printf("\nERROR IN USER TREE: DUPLICATE NAME FOUND -- "); for (i = 0; i < nmlngth; i++) putchar(nayme[n - 1][i]); putchar('\n'); exxit(-1); } } else n++; } while (!(n > spp || found)); if (n <= spp) return; printf("CANNOT FIND SPECIES: "); for (i = 0; i < nmlngth; i++) putchar(str[i]); putchar('\n'); } /* protaddelement */ void prottreeread() { /* read in user-defined tree and set it up */ long nextnode, lparens, i; root = treenode[spp]; nextnode = spp; root->back = NULL; names = (boolean *)Malloc(spp*sizeof(boolean)); for (i = 0; i < (spp); i++) names[i] = false; lparens = 0; protaddelement(&root, &nextnode,&lparens,names); if (ch == '[') { do ch = gettc(intree); while (ch != ']'); ch = gettc(intree); } findch(';', &ch, which); if (progress) printf("\n\n"); fscanf(intree, "%*[^\n]"); gettc(intree); free(names); } /* prottreeread */ void protancestset(long *a, long *b, long *c, long *d, long *k) { /* sets up the aa set array. */ aas aa; long s, sa, sb; long i, j, m, n; boolean counted; counted = false; *k = 0; for (i = 0; i <= 5; i++) { if (*k < 3) { s = 0; if (i > 3) n = i - 3; else n = 0; for (j = n; j <= (i - n); j++) { if (j < 3) sa = a[j]; else sa = fullset; for (m = n; m <= (i - j - n); m++) { if (m < 3) sb = sa & b[m]; else sb = sa; if (i - j - m < 3) sb &= c[i - j - m]; s |= sb; } } if (counted || s != 0) { d[*k] = s; (*k)++; counted = true; } } } for (i = 0; i <= 1; i++) { for (aa = ala; (long)aa <= (long)stop; aa = (aas)((long)aa + 1)) { if (((1L << ((long)aa)) & d[i]) != 0) { for (j = i + 1; j <= 2; j++) d[j] |= translate[(long)aa - (long)ala][j - i]; } } } } /* protancestset */ void prothyprint(long b1, long b2, boolean *bottom, node *r, boolean *nonzero, boolean *maybe) { /* print out states in sites b1 through b2 at node */ long i; boolean dot; Char ch = 0; aas aa; if (*bottom) { if (!outgropt) fprintf(outfile, " "); else fprintf(outfile, "root "); } else fprintf(outfile, "%3ld ", r->back->index - spp); if (r->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[r->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", r->index - spp); if (*bottom) fprintf(outfile, " "); else if (*nonzero) fprintf(outfile, " yes "); else if (*maybe) fprintf(outfile, " maybe "); else fprintf(outfile, " no "); for (i = b1 - 1; i < b2; i++) { aa = r->seq[i]; switch (aa) { case ala: ch = 'A'; break; case asx: ch = 'B'; break; case cys: ch = 'C'; break; case asp: ch = 'D'; break; case glu: ch = 'E'; break; case phe: ch = 'F'; break; case gly: ch = 'G'; break; case his: ch = 'H'; break; case ileu: ch = 'I'; break; case lys: ch = 'K'; break; case leu: ch = 'L'; break; case met: ch = 'M'; break; case asn: ch = 'N'; break; case pro: ch = 'P'; break; case gln: ch = 'Q'; break; case arg: ch = 'R'; break; case ser: ch = 'S'; break; case ser1: ch = 'S'; break; case ser2: ch = 'S'; break; case thr: ch = 'T'; break; case trp: ch = 'W'; break; case tyr: ch = 'Y'; break; case val: ch = 'V'; break; case glx: ch = 'Z'; break; case del: ch = '-'; break; case stop: ch = '*'; break; case unk: ch = 'X'; break; case quest: ch = '?'; break; } if (!(*bottom)) dot = (r->siteset[i] [0] == treenode[r->back->index - 1]->siteset[i][0] || ((r->siteset[i][0] & (~((1L << ((long)ser1)) | (1L << ((long)ser2)) | (1L << ((long)ser))))) == 0 && (treenode[r->back->index - 1]->siteset[i] [0] & (~((1L << ((long)ser1)) | (1L << ((long)ser2)) | (1L << ((long)ser))))) == 0)); else dot = false; if (dot) putc('.', outfile); else putc(ch, outfile); if ((i + 1) % 10 == 0) putc(' ', outfile); } putc('\n', outfile); } /* prothyprint */ void prothyptrav(node *r, sitearray *hypset, long b1, long b2, long *k, boolean *bottom, sitearray nothing) { boolean maybe, nonzero; long i; aas aa; long anc = 0, hset; gseq *ancset, *temparray; protgnu(&ancset); protgnu(&temparray); maybe = false; nonzero = false; for (i = b1 - 1; i < b2; i++) { if (!r->tip) { protancestset(hypset[i], r->next->back->siteset[i], r->next->next->back->siteset[i], temparray->seq[i], k); memcpy(r->siteset[i], temparray->seq[i], sizeof(sitearray)); } if (!(*bottom)) anc = treenode[r->back->index - 1]->siteset[i][0]; if (!r->tip) { hset = r->siteset[i][0]; r->seq[i] = quest; for (aa = ala; (long)aa <= (long)stop; aa = (aas)((long)aa + 1)) { if (hset == 1L << ((long)aa)) r->seq[i] = aa; } if (hset == ((1L << ((long)asn)) | (1L << ((long)asp)))) r->seq[i] = asx; if (hset == ((1L << ((long)gln)) | (1L << ((long)gly)))) r->seq[i] = glx; if (hset == ((1L << ((long)ser1)) | (1L << ((long)ser2)))) r->seq[i] = ser; if (hset == fullset) r->seq[i] = unk; } nonzero = (nonzero || (r->siteset[i][0] & anc) == 0); maybe = (maybe || r->siteset[i][0] != anc); } prothyprint(b1, b2,bottom,r,&nonzero,&maybe); *bottom = false; if (!r->tip) { memcpy(temparray->seq, r->next->back->siteset, chars*sizeof(sitearray)); for (i = b1 - 1; i < b2; i++) protancestset(hypset[i], r->next->next->back->siteset[i], nothing, ancset->seq[i], k); prothyptrav(r->next->back, ancset->seq, b1, b2,k,bottom,nothing ); for (i = b1 - 1; i < b2; i++) protancestset(hypset[i], temparray->seq[i], nothing, ancset->seq[i],k); prothyptrav(r->next->next->back, ancset->seq, b1, b2, k,bottom,nothing); } protchuck(temparray); protchuck(ancset); } /* prothyptrav */ void prothypstates(long *k) { /* fill in and describe states at interior nodes */ boolean bottom; sitearray nothing; long i, n; seqptr hypset; fprintf(outfile, "\nFrom To Any Steps? State at upper node\n"); fprintf(outfile, " "); fprintf(outfile, "( . means same as in the node below it on tree)\n\n"); memcpy(nothing, translate[(long)quest - (long)ala], sizeof(sitearray)); hypset = (seqptr)Malloc(chars*sizeof(sitearray)); for (i = 0; i < (chars); i++) memcpy(hypset[i], nothing, sizeof(sitearray)); bottom = true; for (i = 1; i <= ((chars - 1) / 40 + 1); i++) { putc('\n', outfile); n = i * 40; if (n > chars) n = chars; bottom = true; prothyptrav(root, hypset, i * 40 - 39, n, k,&bottom,nothing); } free(hypset); } /* prothypstates */ void describe() { /* prints ancestors, steps and table of numbers of steps in each site */ long i,j,k; if (treeprint) fprintf(outfile, "\nrequires a total of %10.3f\n", like / -10); if (stepbox) { putc('\n', outfile); if (weights) fprintf(outfile, "weighted "); fprintf(outfile, "steps in each position:\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%4ld", i); fprintf(outfile, "\n *-----------------------------------------\n"); for (i = 0; i <= (chars / 10); i++) { fprintf(outfile, "%5ld", i * 10); putc('!', outfile); for (j = 0; j <= 9; j++) { k = i * 10 + j; if (k == 0 || k > chars) fprintf(outfile, " "); else fprintf(outfile, "%4ld", root->numsteps[k - 1] / 10); } putc('\n', outfile); } } if (ancseq) { prothypstates(&k); putc('\n', outfile); } putc('\n', outfile); if (trout) { col = 0; treeout(root, nextree, &col, root); } } /* describe */ void maketree() { /* constructs a binary tree from the pointers in treenode. adds each node at location which yields highest "likelihood" then rearranges the tree for greatest "likelihood" */ long i, j, numtrees; double gotlike; node *item, *nufork, *dummy; if (!usertree) { for (i = 1; i <= (spp); i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); root = treenode[enterorder[0] - 1]; recompute = true; protadd(treenode[enterorder[0] - 1], treenode[enterorder[1] - 1], treenode[spp]); if (progress) { printf("\nAdding species:\n"); writename(0, 2, enterorder); } lastrearr = false; for (i = 3; i <= (spp); i++) { bestyet = -30.0*spp*chars; there = root; item = treenode[enterorder[i - 1] - 1]; nufork = treenode[spp + i - 2]; addpreorder(root, item, nufork); protadd(there, item, nufork); like = bestyet; rearrange(&root); if (progress) writename(i - 1, 1, enterorder); lastrearr = (i == spp); if (lastrearr) { if (progress) { printf("\nDoing global rearrangements\n"); printf(" !"); for (j = 1; j <= nonodes; j++) putchar('-'); printf("!\n"); } bestlike = bestyet; if (jumb == 1) { bstlike2 = bestlike; nextree = 1; } do { if (progress) printf(" "); gotlike = bestlike; for (j = 0; j < (nonodes); j++) { bestyet = -30.0*spp*chars; item = treenode[j]; if (item != root) { nufork = treenode[treenode[j]->back->index - 1]; protre_move(&item, &nufork); there = root; addpreorder(root, item, nufork); protadd(there, item, nufork); } if (progress) { putchar('.'); fflush(stdout); } } if (progress) putchar('\n'); } while (bestlike > gotlike); } } if (progress) putchar('\n'); for (i = spp - 1; i >= 1; i--) protre_move(&treenode[i], &dummy); if (jumb == njumble) { if (treeprint) { putc('\n', outfile); if (nextree == 2) fprintf(outfile, "One most parsimonious tree found:\n"); else fprintf(outfile, "%6ld trees in all found\n", nextree - 1); } if (nextree > maxtrees + 1) { if (treeprint) fprintf(outfile, "here are the first%4ld of them\n", (long)maxtrees); nextree = maxtrees + 1; } if (treeprint) putc('\n', outfile); recompute = false; for (i = 0; i <= (nextree - 2); i++) { root = treenode[0]; protadd(treenode[0], treenode[1], treenode[spp]); for (j = 3; j <= (spp); j++) protadd(treenode[bestrees[i].btree[j - 1] - 1], treenode[j - 1], treenode[spp + j - 2]); protreroot(treenode[outgrno - 1]); protpostorder(root); evaluate(root); printree(root, 1.0); describe(); for (j = 1; j < (spp); j++) protre_move(&treenode[j], &dummy); } } } else { openfile(&intree,INTREE,"input tree file", "r",progname,intreename); numtrees = countsemic(&intree); if (treeprint) { fprintf(outfile, "User-defined tree"); if (numtrees > 1) putc('s', outfile); fprintf(outfile, ":\n\n\n\n"); } which = 1; while (which <= numtrees) { prottreeread(); if (outgropt) protreroot(treenode[outgrno - 1]); protpostorder(root); evaluate(root); printree(root, 1.0); describe(); which++; } FClose(intree); putc('\n', outfile); if (numtrees > 1 && chars > 1 ) standev(chars, numtrees, minwhich, minsteps, nsteps, fsteps, seed); } if (jumb == njumble && progress) { printf("Output written to file \"%s\"\n\n", outfilename); if (trout) printf("Trees also written onto file \"%s\"\n\n", outtreename); } } /* maketree */ int main(int argc, Char *argv[]) { /* Protein parsimony by uphill search */ #ifdef MAC argc = 1; /* macsetup("Protpars",""); */ argv[0] = "Protpars"; #endif init(argc,argv); progname = argv[0]; openfile(&infile,INFILE,"input file", "r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file", "w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; garbage = NULL; mulsets = false; msets = 1; firstset = true; code(); setup(); doinit(); if (weights || justwts) openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename); if (trout) openfile(&outtree,OUTTREE,"output tree file", "w",argv[0],outtreename); for (ith = 1; ith <= msets; ith++) { doinput(); if (ith == 1) firstset = false; if (msets > 1 && !justwts) { fprintf(outfile, "Data set # %ld:\n\n",ith); if (progress) printf("Data set # %ld:\n\n",ith); } for (jumb = 1; jumb <= njumble; jumb++) maketree(); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif return 0; } /* Protein parsimony by uphill search */ ./arbsrc_9167/GDE/PHYLIP/restdist.c0000644012664100000130000003641611213220011016541 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1994-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define initialv 0.1 /* starting value of branch length */ #define iterationsr 20 /* how many Newton iterations per distance */ extern sequence y; #ifndef OLDC /* function prototypes */ void restdist_inputnumbers(void); void getoptions(void); void allocrest(void); void doinit(void); void inputoptions(void); void restdist_inputdata(void); void restdist_sitesort(void); void restdist_sitecombine(void); void makeweights(void); void makev(long, long, double *); void makedists(void); void writedists(void); void getinput(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH]; long sites, weightsum, datasets, ith; boolean restsites, neili, gama, weights, lower, progress, mulsets, firstset; double ttratio, fracchange, cvi, sitelength, xi, xv; double **d; steptr aliasweight; char *progname; Char ch; void restdist_inputnumbers() { /* read and print out numbers of species and sites */ fscanf(infile, "%ld%ld", &spp, &sites); } /* restdist_inputnumbers */ void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch; putchar('\n'); sitelength = 6.0; neili = false; gama = false; cvi = 0.0; weights = false; lower = false; printdata = false; progress = true; restsites = true; interleaved = true; ttratio = 2.0; loopcount = 0; for (;;) { cleerhome(); printf("\nRestriction site or fragment distances, "); printf("version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" R Restriction sites or fragments? %s\n", (restsites ? "Sites" : "Fragments")); if (!restsites) printf(" N Original or modified Nei/Li model? %s\n", (neili ? "Original" : "Modified")); if (restsites || !neili) { printf(" G Gamma distribution of rates among sites?"); if (!gama) printf(" No\n"); else printf(" Yes\n"); printf(" T Transition/transversion ratio? %f\n", ttratio); } printf(" S Site length? %4.1f\n",sitelength); printf(" L Form of distance matrix? %s\n", (lower ? "Lower-triangular" : "Square")); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run? %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run? %s\n", (progress ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("RDNGTSLMI012",ch) != NULL){ switch (ch) { case 'R': restsites = !restsites; break; case 'G': if (restsites || !neili) gama = !gama; break; case 'N': if (!restsites) neili = !neili; break; case 'T': if (restsites || !neili) initratio(&ttratio); break; case 'S': loopcount2 = 0; do { printf("New Sitelength?\n"); scanf("%lf%*[^\n]", &sitelength); getchar(); if (sitelength < 1.0) printf("BAD RESTRICTION SITE LENGTH: %f\n", sitelength); countup(&loopcount2, 10); } while (sitelength < 1.0); break; case 'L': lower = !lower; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } if (gama) { loopcount = 0; do { printf( "\nCoefficient of variation of substitution rate among sites (must be positive)?\n"); scanf("%lf%*[^\n]", &cvi); getchar(); countup(&loopcount, 100); } while (cvi <= 0.0); cvi = 1.0 / (cvi * cvi); printf("\n"); } xi = (ttratio - 0.5)/(ttratio + 0.5); xv = 1.0 - xi; fracchange = xi*0.5 + xv*0.75; } /* getoptions */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(sites*sizeof(Char)); nayme = (naym *)Malloc(spp*sizeof(naym)); weight = (steptr)Malloc((sites+1)*sizeof(long)); alias = (steptr)Malloc((sites+1)*sizeof(long)); aliasweight = (steptr)Malloc((sites+1)*sizeof(long)); d = (double **)Malloc(spp*sizeof(double *)); for (i = 0; i < spp; i++) d[i] = (double*)Malloc(spp*sizeof(double)); } /* allocrest */ void doinit() { /* initializes variables */ restdist_inputnumbers(); getoptions(); if (printdata) fprintf(outfile, "\n %4ld Species, %4ld Sites\n", spp, sites); allocrest(); } /* doinit */ void inputoptions() { /* read the options information */ Char ch; long i, extranum, cursp, curst; if (!firstset) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld%ld", &cursp, &curst); if (cursp != spp) { printf("\nERROR: INCONSISTENT NUMBER OF SPECIES IN DATA SET %4ld\n", ith); exxit(-1); } sites = curst; } for (i = 1; i <= sites; i++) weight[i] = 1; weightsum = sites; extranum = 0; fscanf(infile, "%*[ 0-9]"); readoptions(&extranum, "W"); for (i = 1; i <= extranum; i++) { matchoptions(&ch, "W"); inputweights2(1, sites+1, &weightsum, weight, &weights, "RESTDIST"); } } /* inputoptions */ void restdist_inputdata() { /* read the species and sites data */ long i, j, k, l, sitesread = 0, sitesnew = 0; Char ch; boolean allread, done; if (printdata) putc('\n', outfile); j = nmlngth + (sites + (sites - 1) / 10) / 2 - 5; if (j < nmlngth - 1) j = nmlngth - 1; if (j > 39) j = 39; if (printdata) { fprintf(outfile, "Name"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "Sites\n"); fprintf(outfile, "----"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "-----\n\n"); } sitesread = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp ) { if ((interleaved && sitesread == 0) || !interleaved) initname(i - 1); if (interleaved) j = sitesread; else j = 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < sites && !(eoln(infile) || eoff(infile))) { ch = gettc(infile); if (ch == '\n') ch = ' '; if (ch == ' ') continue; uppercase(&ch); if (ch != '1' && ch != '0' && ch != '+' && ch != '-' && ch != '?') { printf(" ERROR -- Bad symbol %c",ch); printf(" at position %ld of species %ld\n", j+1, i); exxit(-1); } if (ch == '1') ch = '+'; if (ch == '0') ch = '-'; j++; y[i - 1][j - 1] = ch; } if (interleaved) continue; if (j < sites) scan_eoln(infile); else if (j == sites) done = true; } if (interleaved && i == 1) sitesnew = j; scan_eoln(infile); if ((interleaved && j != sitesnew ) || ((!interleaved) && j != sites)){ printf("ERROR: SEQUENCES OUT OF ALIGNMENT\n"); exxit(-1);} i++; } if (interleaved) { sitesread = sitesnew; allread = (sitesread == sites); } else allread = (i > spp); } if (printdata) { for (i = 1; i <= ((sites - 1) / 60 + 1); i++) { for (j = 0; j < spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > sites) l = sites; for (k = (i - 1) * 60 + 1; k <= l; k++) { putc(y[j][k - 1], outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } } /* restdist_inputdata */ void restdist_sitesort() { /* Shell sort keeping alias, aliasweight in same order */ long gap, i, j, jj, jg, k, itemp; boolean flip, tied; gap = sites / 2; while (gap > 0) { for (i = gap + 1; i <= sites; i++) { j = i - gap; flip = true; while (j > 0 && flip) { jj = alias[j]; jg = alias[j + gap]; flip = false; tied = true; k = 1; while (k <= spp && tied) { flip = (y[k - 1][jj - 1] > y[k - 1][jg - 1]); tied = (tied && y[k - 1][jj - 1] == y[k - 1][jg - 1]); k++; } if (tied) { aliasweight[j] += aliasweight[j + gap]; aliasweight[j + gap] = 0; } if (!flip) break; itemp = alias[j]; alias[j] = alias[j + gap]; alias[j + gap] = itemp; itemp = aliasweight[j]; aliasweight[j] = aliasweight[j + gap]; aliasweight[j + gap] = itemp; j -= gap; } } gap /= 2; } } /* restdist_sitesort */ void restdist_sitecombine() { /* combine sites that have identical patterns */ long i, j, k; boolean tied; i = 1; while (i < sites) { j = i + 1; tied = true; while (j <= sites && tied) { k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i] - 1] == y[k - 1][alias[j] - 1]); k++; } if (tied && aliasweight[j] > 0) { aliasweight[i] += aliasweight[j]; aliasweight[j] = 0; alias[j] = alias[i]; } j++; } i = j - 1; } } /* restdist_sitecombine */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i] = i; aliasweight[i] = weight[i]; } restdist_sitesort(); restdist_sitecombine(); sitescrunch2(sites + 1, 2, 3, aliasweight); for (i = 1; i <= sites; i++) { weight[i] = aliasweight[i]; if (weight[i] > 0) endsite = i; } weight[0] = 1; } /* makeweights */ void makev(long m, long n, double *v) { /* compute one distance */ long i, ii, it, numerator, denominator; double f, g=0, h, p1, p2, p3, q1, pp, tt, delta, vv, slope; numerator = 0; denominator = 0; for (i = 0; i < endsite; i++) { ii = alias[i]; if ((y[m-1][ii-1] == '+') || (y[n-1][ii-1] == '+')) { denominator += weight[i]; if ((y[m-1][ii-1] == '+') && (y[n-1][ii-1] == '+')) { numerator += weight[i]; } } } f = 2*numerator/(double)(denominator+numerator); if (restsites) { if (exp(-sitelength*1.38629436) > f) { printf("\nERROR: Infinite distance between "); printf(" species %3ld and %3ld\n", m, n); exxit(-1); } } if (!restsites) { if (!neili) { f = (sqrt(f*(f+8.0))-f)/2.0; } else { g = initialv; h = g; delta = g; it = 0; while (fabs(delta) > 0.00002 && it < iterationsr) { it++; h = g; g = exp(0.25*log(f * (3-2*g))); delta = g - h; } } } if ((!restsites) && neili) vv = - (2.0/sitelength) * log(g); else { pp = exp(log(f)/sitelength); delta = initialv; tt = delta; it = 0; while (fabs(delta) > 0.00002 && it < iterationsr) { it++; if (gama) { p1 = exp(-cvi * log(1 + tt / cvi)); p2 = exp(-cvi * log(1 + xv * tt / cvi)) - exp(-cvi * log(1 + tt / cvi)); p3 = 1.0 - exp(-cvi * log(1 + xv * tt / cvi)); } else { p1 = exp(-tt); p2 = exp(-xv * tt) - exp(-tt); p3 = 1.0 - exp(-xv * tt); } q1 = p1 + p2 / 2.0 + p3 / 4.0; g = q1 - pp; if (gama) slope = - 0.5 * (1 / (1 + tt / cvi)) * exp(-cvi * log(1 + tt / cvi)) - 0.25 * (xv / (1 + xv * tt / cvi)) * exp(-cvi * log(1 + xv * tt / cvi)); else slope = - 0.5*exp(-tt) - 0.25*exp(-xv*tt); if (g < 0.0) delta = fabs(delta) / -2.0; else delta = fabs(delta); tt += delta; } vv = fracchange * tt; } *v = vv; } /* makev */ void makedists() { /* compute distance matrix */ long i, j; double v; if (progress) printf("Distances calculated for species\n"); for (i = 0; i < spp; i++) d[i][i] = 0.0; for (i = 1; i < spp; i++) { if (progress) { printf(" "); for (j = 0; j < nmlngth; j++) putchar(nayme[i - 1][j]); printf(" "); } for (j = i + 1; j <= spp; j++) { makev(i, j, &v); d[i - 1][j - 1] = v; d[j - 1][i - 1] = v; if (progress) putchar('.'); } if (progress) putchar('\n'); } if (progress) { printf(" "); for (j = 0; j < nmlngth; j++) putchar(nayme[spp - 1][j]); putchar('\n'); } } /* makedists */ void writedists() { /* write out distances */ long i, j, k; if (!printdata) fprintf(outfile, "%5ld\n", spp); for (i = 0; i < spp; i++) { for (j = 0; j < nmlngth; j++) putc(nayme[i][j], outfile); if (lower) k = i; else k = spp; for (j = 1; j <= k; j++) { fprintf(outfile, "%8.4f", d[i][j - 1]); if ((j + 1) % 9 == 0 && j < k) putc('\n', outfile); } putc('\n', outfile); } if (progress) printf("\nDistances written to file \"%s\"\n\n", outfilename); } /* writedists */ void getinput() { /* reads the input data */ inputoptions(); restdist_inputdata(); makeweights(); } /* getinput */ int main(int argc, Char *argv[]) { /* distances from restriction sites or fragments */ #ifdef MAC argc = 1; /* macsetup("Restdist",""); */ argv[0] = "Restdist"; #endif init(argc,argv); progname = argv[0]; openfile(&infile,INFILE,"input data file","r",argv[0],infilename); openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename); ibmpc = IBMCRT; ansi = ANSICRT; mulsets = false; datasets = 1; firstset = true; doinit(); for (ith = 1; ith <= datasets; ith++) { getinput(); if (ith == 1) firstset = false; if (datasets > 1 && progress) printf("\nData set # %ld:\n\n",ith); makedists(); writedists(); } FClose(infile); FClose(outfile); #ifdef MAC fixmacfile(outfilename); #endif printf("Done.\n\n"); return 0; } /* distances from restriction sites or fragments */ ./arbsrc_9167/GDE/PHYLIP/restml.c0000644012664100000130000013775111213220011016212 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #include "phylip.h" #include "seq.h" #define initialv 0.1 /* starting value of branch length */ #define over 60 /* maximum width of a tree on screen */ extern sequence y; #ifndef OLDC /* function prototypes */ void restml_inputnumbers(void); void getoptions(void); void allocrest(void); void setuppie(void); void doinit(void); void inputoptions(void); void restml_inputdata(void); void restml_sitesort(void); void restml_sitecombine(void); void makeweights(void); void restml_makevalues(void); void getinput(void); void copymatrix(transmatrix, transmatrix); void maketrans(double, boolean); void branchtrans(long, double); double evaluate(tree *, node *); void nuview(node *); void makenewv(node *); void update(node *); void smooth(node *); void insert_(node *p, node *); void restml_re_move(node **, node **); void restml_copynode(node *, node *); void restml_copy_(tree *, tree *); void buildnewtip(long , tree *); void buildsimpletree(tree *); void addtraverse(node *, node *, boolean); void rearrange(node *, node *); void restml_coordinates(node *, double, long *,double *, double *); void restml_printree(void); double sigma(node *, double *); void describe(node *); void summarize(void); void restml_treeout(node *); void inittravtree(node *); void treevaluate(void); void maketree(void); /* function prototypes */ #endif Char infilename[FNMLNGTH], outfilename[FNMLNGTH], intreename[FNMLNGTH], outtreename[FNMLNGTH]; long nonodes2, sites, enzymes, weightsum, sitelength, datasets, ith, njumble, jumb=0; long inseed, inseed0; boolean global, jumble, lengths, weights, trout, trunc8, usertree, reconsider, progress, mulsets, firstset, improve, smoothit; double bestyet; tree curtree, priortree, bestree, bestree2; longer seed; long *enterorder; steptr aliasweight; char *progname; node *qwhere; /* Local variables for maketree, propagated globally for C version: */ long nextsp, numtrees, maxwhich, col; double maxlogl; boolean succeeded, smoothed; transmatrix tempmatrix, temp2matrix, temp3matrix, temp4matrix, temp5matrix, tempslope, tempcurve; sitelike2 pie; double *l0gl; double **l0gf; Char ch; /* variables added to keep treeread2() happy */ boolean goteof; double trweight; boolean haslengths; void restml_inputnumbers() { /* read and print out numbers of species and sites */ fscanf(infile, "%ld%ld%ld", &spp, &sites, &enzymes); nonodes2 = spp * 2 - 2; } /* restml_inputnumbers */ void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch; fprintf(outfile, "\nRestriction site Maximum Likelihood"); fprintf(outfile, " method, version %s\n\n",VERSION); putchar('\n'); sitelength = 6; trunc8 = true; global = false; improve = false; jumble = false; njumble = 1; lengths = false; outgrno = 1; outgropt = false; reconsider = false; trout = true; usertree = false; weights = false; printdata = false; progress = true; treeprint = true; interleaved = true; loopcount = 0; for (;;) { cleerhome(); printf("\nRestriction site Maximum Likelihood"); printf(" method, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Search for best tree? %s\n", (usertree ? "No, use user trees in input file" : "Yes")); if (usertree) { printf(" N Use lengths from user trees? %s\n", (lengths ? "Yes" : "No")); } printf(" A Are all sites detected? %s\n", (trunc8 ? "No" : "Yes")); if (!usertree) { printf(" S Speedier but rougher analysis? %s\n", (improve ? "No, not rough" : "Yes")); printf(" G Global rearrangements? %s\n", (global ? "Yes" : "No")); printf(" J Randomize input order of sequences? "); if (jumble) printf("Yes (seed =%8ld,%3ld times)\n", inseed0, njumble); else printf("No. Use input order\n"); } else printf(" V Rearrange starting with user tree? %s\n", (reconsider ? "Yes" : "No")); printf(" L Site length?%3ld\n",sitelength); printf(" O Outgroup root? %s%3ld\n", (outgropt ? "Yes, at sequence number" : "No, use as outgroup species"),outgrno); printf(" M Analyze multiple data sets?"); if (mulsets) printf(" Yes, %2ld sets\n", datasets); else printf(" No\n"); printf(" I Input sequences interleaved? %s\n", (interleaved ? "Yes" : "No, sequential")); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", (printdata ? "Yes" : "No")); printf(" 2 Print indications of progress of run %s\n", (progress ? "Yes" : "No")); printf(" 3 Print out tree %s\n", (treeprint ? "Yes" : "No")); printf(" 4 Write out trees onto tree file? %s\n", (trout ? "Yes" : "No")); printf("\n Y to accept these or type the letter for one to change\n"); scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; uppercase(&ch); if (ch == 'Y') break; if (strchr("UNASGJVLOTMI01234",ch) != NULL){ switch (ch) { case 'A': trunc8 = !trunc8; break; case 'S': improve = !improve; break; case 'G': global = !global; break; case 'J': jumble = !jumble; if (jumble) initjumble(&inseed, &inseed0, seed, &njumble); else njumble = 1; break; case 'L': loopcount2 = 0; do { printf("New Sitelength?\n"); scanf("%ld%*[^\n]", &sitelength); getchar(); if (sitelength < 1) printf("BAD RESTRICTION SITE LENGTH: %ld\n", sitelength); countup(&loopcount2, 10); } while (sitelength < 1); break; case 'N': lengths = !lengths; break; case 'O': outgropt = !outgropt; if (outgropt) initoutgroup(&outgrno, spp); else outgrno = 1; break; case 'U': usertree = !usertree; break; case 'V': reconsider = !reconsider; break; case 'M': mulsets = !mulsets; if (mulsets) initdatasets(&datasets); break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '2': progress = !progress; break; case '3': treeprint = !treeprint; break; case '4': trout = !trout; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } } /* getoptions */ void allocrest() { long i; y = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < spp; i++) y[i] = (Char *)Malloc(sites*sizeof(Char)); nayme = (naym *)Malloc(spp*sizeof(naym)); enterorder = (long *)Malloc(spp*sizeof(long)); weight = (steptr)Malloc((sites+1)*sizeof(long)); alias = (steptr)Malloc((sites+1)*sizeof(long)); aliasweight = (steptr)Malloc((sites+1)*sizeof(long)); } /* allocrest */ void setuppie() { /* set up equilibrium probabilities of being a given number of bases away from a restriction site */ long i; double sum; pie[0] = 1.0; sum = pie[0]; for (i = 1; i <= sitelength; i++) { pie[i] = 3 * pie[i - 1] * (sitelength - i + 1) / i; sum += pie[i]; } for (i = 0; i <= sitelength; i++) pie[i] /= sum; } /* setuppie */ void doinit() { /* initializes variables */ long i; restml_inputnumbers(); getoptions(); if (printdata) fprintf(outfile, "%4ld Species, %4ld Sites,%4ld Enzymes\n", spp, sites, enzymes); tempmatrix = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) tempmatrix[i] = (double *)Malloc((sitelength+1) * sizeof(double)); temp2matrix = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) temp2matrix[i] = (double *)Malloc((sitelength+1) * sizeof(double)); temp3matrix = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) temp3matrix[i] = (double *)Malloc((sitelength+1) * sizeof(double)); temp4matrix = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) temp4matrix[i] = (double *)Malloc((sitelength+1) * sizeof(double)); temp5matrix = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) temp5matrix[i] = (double *)Malloc((sitelength+1) * sizeof(double)); tempslope = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) tempslope[i] = (double *)Malloc((sitelength+1) * sizeof(double)); tempcurve = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; i++) tempcurve[i] = (double *)Malloc((sitelength+1) * sizeof(double)); setuppie(); alloctrans(&curtree.trans, nonodes2, sitelength); alloctree(&curtree.nodep, nonodes2, false); allocrest(); if (usertree && !reconsider) return; alloctrans(&bestree.trans, nonodes2, sitelength); alloctree(&bestree.nodep, nonodes2, 0); alloctrans(&priortree.trans, nonodes2, sitelength); alloctree(&priortree.nodep, nonodes2, 0); if (njumble == 1) return; alloctrans(&bestree2.trans, nonodes2, sitelength); alloctree(&bestree2.nodep, nonodes2, 0); } /* doinit */ void inputoptions() { /* read the options information */ Char ch; long i, extranum, cursp, curst, curenz; if (!firstset) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld%ld%ld", &cursp, &curst, &curenz); if (cursp != spp) { printf("\nERROR: INCONSISTENT NUMBER OF SPECIES IN DATA SET %4ld\n", ith); exxit(-1); } if (curenz != enzymes) { printf("\nERROR: INCONSISTENT NUMBER OF ENZYMES IN DATA SET %4ld\n", ith); exxit(-1); } sites = curst; } for (i = 1; i <= sites; i++) weight[i] = 1; weightsum = sites; extranum = 0; readoptions(&extranum, "W"); for (i = 1; i <= extranum; i++) { matchoptions(&ch, "W"); if (ch == 'W') inputweights2(1, sites+1, &weightsum, weight, &weights, "RESTML"); } fprintf(outfile, "\n Recognition sequences all%2ld bases long\n", sitelength); if (trunc8) fprintf(outfile, "\nSites absent from all species are assumed to have been omitted\n\n"); if (weights) printweights(outfile, 1, sites, weight, "Sites"); } /* inputoptions */ void restml_inputdata() { /* read the species and sites data */ long i, j, k, l, sitesread, sitesnew=0; Char ch; boolean allread, done; if (printdata) putc('\n', outfile); j = nmlngth + (sites + (sites - 1) / 10) / 2 - 5; if (j < nmlngth - 1) j = nmlngth - 1; if (j > 39) j = 39; if (printdata) { fprintf(outfile, "Name"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "Sites\n"); fprintf(outfile, "----"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "-----\n\n"); } sitesread = 0; allread = false; while (!(allread)) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp ) { if ((interleaved && sitesread == 0) || !interleaved) initname(i - 1); if (interleaved) j = sitesread; else j = 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < sites && !(eoln(infile) || eoff(infile))) { ch = gettc(infile); if (ch == '\n') ch = ' '; if (ch == ' ') continue; uppercase(&ch); if (ch != '1' && ch != '0' && ch != '+' && ch != '-' && ch != '?') { printf(" ERROR: Bad symbol %c", ch); printf(" at position %ld of species %ld\n", j+1, i); exxit(-1); } if (ch == '1') ch = '+'; if (ch == '0') ch = '-'; j++; y[i - 1][j - 1] = ch; } if (interleaved) continue; if (j < sites) scan_eoln(infile); else if (j == sites) done = true; } if (interleaved && i == 1) sitesnew = j; scan_eoln(infile); if ((interleaved && j != sitesnew ) || ((!interleaved) && j != sites)){ printf("ERROR: SEQUENCES OUT OF ALIGNMENT\n"); exxit(-1);} i++; } if (interleaved) { sitesread = sitesnew; allread = (sitesread == sites); } else allread = (i > spp); } if (printdata) { for (i = 1; i <= ((sites - 1) / 60 + 1); i++) { for (j = 0; j < spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > sites) l = sites; for (k = (i - 1) * 60 + 1; k <= l; k++) { putc(y[j][k - 1], outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } /* restml_inputdata */ void restml_sitesort() { /* Shell sort keeping alias, aliasweight in same order */ long gap, i, j, jj, jg, k, itemp; boolean flip, tied; gap = sites / 2; while (gap > 0) { for (i = gap + 1; i <= sites; i++) { j = i - gap; flip = true; while (j > 0 && flip) { jj = alias[j]; jg = alias[j + gap]; flip = false; tied = true; k = 1; while (k <= spp && tied) { flip = (y[k - 1][jj - 1] > y[k - 1][jg - 1]); tied = (tied && y[k - 1][jj - 1] == y[k - 1][jg - 1]); k++; } if (tied) { aliasweight[j] += aliasweight[j + gap]; aliasweight[j + gap] = 0; } if (!flip) break; itemp = alias[j]; alias[j] = alias[j + gap]; alias[j + gap] = itemp; itemp = aliasweight[j]; aliasweight[j] = aliasweight[j + gap]; aliasweight[j + gap] = itemp; j -= gap; } } gap /= 2; } } /* restml_sitesort */ void restml_sitecombine() { /* combine sites that have identical patterns */ long i, j, k; boolean tied; i = 1; while (i < sites) { j = i + 1; tied = true; while (j <= sites && tied) { k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i] - 1] == y[k - 1][alias[j] - 1]); k++; } if (tied && aliasweight[j] > 0) { aliasweight[i] += aliasweight[j]; aliasweight[j] = 0; alias[j] = alias[i]; } j++; } i = j - 1; } } /* restml_sitecombine */ void makeweights() { /* make up weights vector to avoid duplicate computations */ long i; for (i = 1; i <= sites; i++) { alias[i] = i; aliasweight[i] = weight[i]; } restml_sitesort(); restml_sitecombine(); sitescrunch2(sites + 1, 2, 3, aliasweight); for (i = 1; i <= sites; i++) { weight[i] = aliasweight[i]; if (weight[i] > 0) endsite = i; } weight[0] = 1; } /* makeweights */ void restml_makevalues() { /* set up fractional likelihoods at tips */ long i, j, k, l, m; boolean found; for (k = 1; k <= endsite; k++) { j = alias[k]; for (i = 0; i < spp; i++) { for (l = 0; l <= sitelength; l++) curtree.nodep[i]->x2[k][l] = 1.0; switch (y[i][j - 1]) { case '+': for (m = 1; m <= sitelength; m++) curtree.nodep[i]->x2[k][m] = 0.0; break; case '-': curtree.nodep[i]->x2[k][0] = 0.0; break; case '?': /* blank case */ break; } } } for (i = 0; i < spp; i++) { for (k = 1; k <= sitelength; k++) curtree.nodep[i]->x2[0][k] = 1.0; curtree.nodep[i]->x2[0][0] = 0.0; } if (trunc8) return; found = false; i = 1; while (!found && i <= endsite) { found = true; for (k = 0; k < spp; k++) found = (found && y[k][alias[i] - 1] == '-'); if (!found) i++; } if (found) { weightsum += (enzymes - 1) * weight[i]; weight[i] *= enzymes; } } /* restml_makevalues */ void getinput() { /* reads the input data */ inputoptions(); restml_inputdata(); makeweights(); setuptree2(curtree); if (!usertree || reconsider) { setuptree2(priortree); setuptree2(bestree); if (njumble > 1) setuptree2(bestree2); } allocx2(nonodes2, endsite+1, sitelength, curtree.nodep, false); if (!usertree || reconsider) { allocx2(nonodes2, endsite+1, sitelength, priortree.nodep, 0); allocx2(nonodes2, endsite+1, sitelength, bestree.nodep, 0); if (njumble > 1) allocx2(nonodes2, endsite+1, sitelength, bestree2.nodep, 0); } restml_makevalues(); } /* getinput */ void copymatrix(transmatrix tomat, transmatrix frommat) { /* copy a matrix the size of transition matrix */ int i,j; for (i=0;i<=sitelength;++i){ for (j=0;j<=sitelength;++j) tomat[i][j] = frommat[i][j]; } } /* copymatrix */ void maketrans(double p, boolean nr) { /* make transition matrix, product matrix with change probability p. Put the results in tempmatrix, tempslope, tempcurve */ long i, j, k, m1, m2; double sump, sums=0, sumc=0, pover3, pijk, term; double binom1[maxcutter + 1], binom2[maxcutter + 1]; pover3 = p / 3; for (i = 0; i <= sitelength; i++) { if (p > 1.0 - epsilon) p = 1.0 - epsilon; if (p < epsilon) p = epsilon; binom1[0] = exp((sitelength - i) * log(1 - p)); for (k = 1; k <= sitelength - i; k++) binom1[k] = binom1[k - 1] * (p / (1 - p)) * (sitelength - i - k + 1) / k; binom2[0] = exp(i * log(1 - pover3)); for (k = 1; k <= i; k++) binom2[k] = binom2[k - 1] * (pover3 / (1 - pover3)) * (i - k + 1) / k; for (j = 0; j <= sitelength; ++j) { sump = 0.0; if (nr) { sums = 0.0; sumc = 0.0; } if (i - j > 0) m1 = i - j; else m1 = 0; if (sitelength - j < i) m2 = sitelength - j; else m2 = i; for (k = m1; k <= m2; k++) { pijk = binom1[j - i + k] * binom2[k]; sump += pijk; if (nr) { term = (j-i+2*k)/p - (sitelength-j-k)/(1.0-p) - (i-k)/(3.0-p); sums += pijk * term; sumc += pijk * (term * term - (j-i+2*k)/(p*p) - (sitelength-j-k)/((1.0-p)*(1.0-p)) - (i-k)/((3.0-p)*(3.0-p)) ); } } tempmatrix[i][j] = sump; if (nr) { tempslope[i][j] = sums; tempcurve[i][j] = sumc; } } } } /* maketrans */ void branchtrans(long i, double p) { /* make branch transition matrix for branch i with probability of change p */ boolean nr; nr = false; maketrans(p, nr); copymatrix(curtree.trans[i - 1], tempmatrix); } /* branchtrans */ double evaluate(tree *tr, node *p) { /* evaluates the likelihood, using info. at one branch */ double sum, sum2, y, liketerm, like0, lnlike0=0, term; long i, j, k; node *q; sitelike2 x1, x2; boolean nr; sum = 0.0; q = p->back; y = p->v; nr = false; maketrans(y, nr); memcpy(x1, p->x2[0], sizeof(sitelike2)); memcpy(x2, q->x2[0], sizeof(sitelike2)); if (trunc8) { like0 = 0.0; for (j = 0; j <= sitelength; j++) { liketerm = pie[j] * x1[j]; for (k = 0; k <= sitelength; k++) like0 += liketerm * tempmatrix[j][k] * x2[k]; } lnlike0 = log(enzymes * (1.0 - like0)); } for (i = 1; i <= endsite; i++) { memcpy(x1, p->x2[i], sizeof(sitelike2)); memcpy(x2, q->x2[i], sizeof(sitelike2)); sum2 = 0.0; for (j = 0; j <= sitelength; j++) { liketerm = pie[j] * x1[j]; for (k = 0; k <= sitelength; k++) sum2 += liketerm * tempmatrix[j][k] * x2[k]; } term = log(sum2); if (trunc8) term -= lnlike0; if (usertree) l0gf[which - 1][i - 1] = term; sum += weight[i] * term; } /* *** debug put a variable "saveit" in evaluate as third argument as to whether to save the KHT suff */ if (usertree) { l0gl[which - 1] = sum; if (which == 1) { maxwhich = 1; maxlogl = sum; } else if (sum > maxlogl) { maxwhich = which; maxlogl = sum; } } tr->likelihood = sum; return sum; } /* evaluate */ void nuview(node *p) { /* recompute fractional likelihoods for one part of tree */ long i, j, k, lowlim; double sumq, sumr; node *q, *r; sitelike2 xq, xr, xp; transmatrix tempq, tempr; double *tq, *tr; if (!p->next->back->tip && !p->next->back->initialized) nuview (p->next->back); if (!p->next->next->back->tip && !p->next->next->back->initialized) nuview (p->next->next->back); tempq = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); tempr = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0;i<=sitelength;++i){ tempq[i] = (double *)Malloc((sitelength+1) * sizeof (double)); tempr[i] = (double *)Malloc((sitelength+1) * sizeof (double)); } if (trunc8) lowlim = 0; else lowlim = 1; q = p->next->back; r = p->next->next->back; copymatrix(tempq,curtree.trans[q->branchnum - 1]); copymatrix(tempr,curtree.trans[r->branchnum - 1]); for (i = lowlim; i <= endsite; i++) { memcpy (xq, q->x2[i], sizeof(sitelike2)); memcpy (xr, r->x2[i], sizeof(sitelike2)); for (j = 0; j <= sitelength; j++) { sumq = 0.0; sumr = 0.0; tq = tempq[j]; tr = tempr[j]; for (k = 0; k <= sitelength; k++) { sumq += tq[k] * xq[k]; sumr += tr[k] * xr[k]; } xp[j] = sumq * sumr; } memcpy(p->x2[i], xp, sizeof(sitelike2)); } for (i=0;i<=sitelength;++i){ free(tempq[i]); free(tempr[i]); } free(tempq); free(tempr); p->initialized = true; } /* nuview */ void makenewv(node *p) { /* Newton-Raphson algorithm improvement of a branch length */ long i, j, k, lowlim, it, ite; double sum, sums, sumc, like, slope, curve, liketerm, liket, y, yold=0, yorig, like0=0, slope0=0, curve0=0, oldlike=0, temp; boolean done, nr, firsttime, better; node *q; sitelike2 xx1, xx2; double *tm, *ts, *tc; q = p->back; y = p->v; yorig = y; if (trunc8) lowlim = 0; else lowlim = 1; done = false; nr = true; firsttime = true; it = 1; ite = 0; while ((it < iterations) && (ite < 20) && (!done)) { like = 0.0; slope = 0.0; curve = 0.0; maketrans(y, nr); for (i = lowlim; i <= endsite; i++) { memcpy(xx1, p->x2[i], sizeof(sitelike2)); memcpy(xx2, q->x2[i], sizeof(sitelike2)); sum = 0.0; sums = 0.0; sumc = 0.0; for (j = 0; j <= sitelength; j++) { liket = xx1[j] * pie[j]; tm = tempmatrix[j]; ts = tempslope[j]; tc = tempcurve[j]; for (k = 0; k <= sitelength; k++) { liketerm = liket * xx2[k]; sum += tm[k] * liketerm; sums += ts[k] * liketerm; sumc += tc[k] * liketerm; } } if (i == 0) { like0 = sum; slope0 = sums; curve0 = sumc; } else { like += weight[i] * log(sum); slope += weight[i] * sums/sum; temp = sums/sum; curve += weight[i] * (sumc/sum-temp*temp); } } if (trunc8 && fabs(like0 - 1.0) > 1.0e-10) { like -= weightsum * log(enzymes * (1.0 - like0)); slope += weightsum * slope0 /(1.0 - like0); curve += weightsum * (curve0 /(1.0 - like0) + slope0*slope0/((1.0 - like0)*(1.0 - like0))); } better = false; if (firsttime) { yold = y; oldlike = like; firsttime = false; better = true; } else { if (like > oldlike) { yold = y; oldlike = like; better = true; it++; } } if (better) { y = y + slope/fabs(curve); if (y < epsilon) y = 10.0 * epsilon; if (y > 0.75) y = 0.75; } else { if (fabs(y - yold) < epsilon) ite = 20; y = (y + yold) / 2.0; } ite++; done = fabs(y-yold) < epsilon; } smoothed = (fabs(yold-yorig) < epsilon) && (yorig > 1000.0*epsilon); p->v = yold; q->v = yold; branchtrans(p->branchnum, yold); curtree.likelihood = oldlike; } /* makenewv */ void update(node *p) { /* improve branch length and views for one branch */ if (!p->tip && !p->initialized) nuview(p); if (!p->back->tip && !p->back->initialized) nuview(p->back); if (p->iter) { makenewv(p); if (!p->tip) { p->next->initialized = false; p->next->next->initialized = false; } if (!p->back->tip) { p->back->next->initialized = false; p->back->next->next->initialized = false; } } } /* update */ void smooth(node *p) { /* update nodes throughout the tree, recursively */ smoothed = false; update(p); if (!p->tip) { if (smoothit && !smoothed) { smooth(p->next->back); p->initialized = false; p->next->next->initialized = false; } if (smoothit && !smoothed) { smooth(p->next->next->back); p->initialized = false; p->next->initialized = false; } } } /* smooth */ void insert_(node *p, node *q) { /* insert a subtree into a branch, improve lengths in tree */ long i, m, n; node *r; r = p->next->next; hookup(r, q->back); hookup(p->next, q); if (q->v >= 0.75) q->v = 0.75; else q->v = 0.75 * (1 - sqrt(1 - 1.333333 * q->v)); q->back->v = q->v; r->v = q->v; r->back->v = r->v; if (q->branchnum == q->index) { m = q->branchnum; n = r->index; } else { m = r->index; n = q->branchnum; } q->branchnum = m; q->back->branchnum = m; r->branchnum = n; r->back->branchnum = n; branchtrans(q->branchnum, q->v); branchtrans(r->branchnum, r->v); p->initialized = false; p->next->initialized = false; p->next->next->initialized = false; i = 1; while (i <= smoothings) { smooth(p); if (!smoothit) { if (!p->tip) { smooth (p->next->back); smooth (p->next->next->back); } } else smooth(p->back); i++; } } /* insert */ void restml_re_move(node **p, node **q) { /* remove p and record in q where it was */ long i; *q = (*p)->next->back; hookup(*q, (*p)->next->next->back); (*q)->back->branchnum = (*q)->branchnum; branchtrans((*q)->branchnum, 0.75*(1 - (1 - 1.333333*(*q)->v) * (1 - 1.333333*(*p)->next->v))); (*p)->next->back = NULL; (*p)->next->next->back = NULL; if (!(*q)->tip) { (*q)->next->initialized = false; (*q)->next->next->initialized = false; } if (!(*q)->back->tip) { (*q)->back->next->initialized = false; (*q)->back->next->next->initialized = false; } i = 1; while (i <= smoothings) { smooth(*q); if (smoothit) smooth((*q)->back); i++; } } /* restml_re_move */ void restml_copynode(node *c, node *d) { /* copy a node */ d->branchnum = c->branchnum; memcpy(d->x2, c->x2, (endsite+1)*sizeof(sitelike2)); d->v = c->v; d->iter = c->iter; d->xcoord = c->xcoord; d->ycoord = c->ycoord; d->ymin = c->ymin; d->ymax = c->ymax; d->initialized = c->initialized; } /* restml_copynode */ void restml_copy_(tree *a, tree *b) { /* copy a tree */ long i,j; node *p, *q; for (i = 0; i < spp; i++) { restml_copynode(a->nodep[i], b->nodep[i]); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes2; i++) { p = a->nodep[i]; q = b->nodep[i]; for (j = 1; j <= 3; j++) { restml_copynode(p, q); if (p->back) { if (p->back == a->nodep[p->back->index - 1]) q->back = b->nodep[p->back->index - 1]; else if (p->back == a->nodep[p->back->index - 1]->next) q->back = b->nodep[p->back->index - 1]->next; else q->back = b->nodep[p->back->index - 1]->next->next; } else q->back = NULL; p = p->next; q = q->next; } } b->likelihood = a->likelihood; for (i=0;itrans[i],a->trans[i]); b->start = a->start; } /* restml_copy */ void buildnewtip(long m, tree *tr) { /* set up a new tip and interior node it is connected to */ node *p; long i, j; p = tr->nodep[nextsp + spp - 3]; for (i = 0; i < endsite; i++) { for (j = 0; j < sitelength; j++) { p->x2[i][j] = 1.0; p->next->x2[i][j] = 1.0; p->next->next->x2[i][j] = 1.0; } } hookup(tr->nodep[m - 1], p); p->v = initialv; p->back->v = initialv; branchtrans(m, initialv); p->branchnum = m; p->next->branchnum = p->index; p->next->next->branchnum = p->index; p->back->branchnum = m; } /* buildnewtip */ void buildsimpletree(tree *tr) { /* set up and adjust branch lengths of a three-species tree */ hookup(tr->nodep[enterorder[0] - 1], tr->nodep[enterorder[1] - 1]); tr->nodep[enterorder[0] - 1]->v = initialv; tr->nodep[enterorder[1] - 1]->v = initialv; branchtrans(enterorder[1], initialv); tr->nodep[enterorder[0] - 1]->branchnum = 2; tr->nodep[enterorder[1] - 1]->branchnum = 2; buildnewtip(enterorder[2], tr); insert_(tr->nodep[enterorder[2] - 1]->back, tr->nodep[enterorder[1] - 1]); tr->start = tr->nodep[enterorder[2]-1]->back; } /* buildsimpletree */ void addtraverse(node *p, node *q, boolean contin) { /* try adding p at q, proceed recursively through tree */ long oldnum = 0; double like, vsave = 0; node *qback =NULL; if (!smoothit) { oldnum = q->branchnum; copymatrix (temp2matrix, curtree.trans[oldnum-1]); vsave = q->v; qback = q->back; } insert_(p, q); like = evaluate(&curtree, p); if (like > bestyet) { bestyet = like; if (smoothit) restml_copy_(&curtree, &bestree); else qwhere = q; succeeded = true; } if (smoothit) restml_copy_(&priortree, &curtree); else { hookup (q, qback); q->v = vsave; q->back->v = vsave; q->branchnum = oldnum; q->back->branchnum = oldnum; copymatrix (curtree.trans[oldnum-1], temp2matrix); curtree.likelihood = bestyet; } if (!q->tip && contin) { addtraverse(p, q->next->back, contin); addtraverse(p, q->next->next->back, contin); } } /* addtraverse */ void rearrange(node *p, node *pp) { /* rearranges the tree, globally or locally */ long i, oldnum3=0, oldnum4=0, oldnum5=0; double v3=0, v4=0, v5=0; node *q, *r; if (!p->tip && !p->back->tip) { bestyet = curtree.likelihood; if (p->back->next != pp) r = p->back->next; else r = p->back->next->next; if (!smoothit) { oldnum3 = r->branchnum; copymatrix (temp3matrix, curtree.trans[oldnum3-1]); v3 = r->v; oldnum4 = r->next->branchnum; copymatrix (temp4matrix, curtree.trans[oldnum4-1]); v4 = r->next->v; oldnum5 = r->next->next->branchnum; copymatrix (temp5matrix, curtree.trans[oldnum5-1]); v5 = r->next->next->v; } else restml_copy_(&curtree, &bestree); restml_re_move(&r, &q); if (smoothit) restml_copy_(&curtree, &priortree); else qwhere = q; addtraverse(r, p->next->back, (boolean)(global && (nextsp == spp))); addtraverse(r, p->next->next->back, (boolean)(global && (nextsp == spp))); if (global && nextsp == spp && !succeeded) { p = p->back; if (!p->tip) { addtraverse(r, p->next->back, (boolean)(global && (nextsp == spp))); addtraverse(r, p->next->next->back, (boolean)(global && (nextsp == spp))); } p = p->back; } if (smoothit) restml_copy_(&bestree, &curtree); else { insert_(r, qwhere); if (qwhere == q) { r->v = v3; r->back->v = v3; r->branchnum = oldnum3; r->back->branchnum = oldnum3; copymatrix (curtree.trans[oldnum3-1], temp3matrix); r->next->v = v4; r->next->back->v = v4; r->next->branchnum = oldnum4; r->next->back->branchnum = oldnum4; copymatrix (curtree.trans[oldnum4-1], temp4matrix); r->next->next->v = v5; r->next->next->back->v = v5; r->next->next->branchnum = oldnum5; r->next->next->back->branchnum = oldnum5; copymatrix (curtree.trans[oldnum5-1], temp5matrix); curtree.likelihood = bestyet; } else { smoothit = true; for (i = 1; i<=smoothings; i++) { smooth (r); smooth (r->back); } smoothit = false; restml_copy_(&curtree, &bestree); } } if (global && nextsp == spp && progress) { putchar('.'); fflush(stdout); } } if (!p->tip) { rearrange(p->next->back, p); rearrange(p->next->next->back, p); } } /* rearrange */ void restml_coordinates(node *p, double lengthsum, long *tipy, double *tipmax, double *x) { /* establishes coordinates of nodes */ node *q, *first, *last; if (p->tip) { p->xcoord = (long)(over * lengthsum + 0.5); p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; return; } q = p->next; do { (*x) = -0.75 * log(1.0 - 1.333333 * q->v); restml_coordinates(q->back, lengthsum + (*x),tipy,tipmax,x); q = q->next; } while ((p == curtree.start || p != q) && (p != curtree.start || p->next != q)); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (long)(over * lengthsum + 0.5); if (p == curtree.start) p->ycoord = p->next->next->back->ycoord; else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* restml_coordinates */ void restml_printree() { /* prints out diagram of the tree */ long tipy,i; double scale, tipmax, x; putc('\n', outfile); if (!treeprint) return; putc('\n', outfile); tipy = 1; tipmax = 0.0; restml_coordinates(curtree.start, 0.0, &tipy,&tipmax,&x); scale = 1.0 / (tipmax + 1.000); for (i = 1; i <= tipy - down; i++) drawline2(i, scale, curtree); putc('\n', outfile); } /* restml_printree */ double sigma(node *q, double *sumlr) { /* get 1.95996 * approximate standard error of branch length */ double sump, sumr, sums, sumc, p, pover3, pijk, Qjk, liketerm, f; double slopef,curvef; long i, j, k, m1, m2; double binom1[maxcutter + 1], binom2[maxcutter + 1]; transmatrix Prob, slopeP, curveP; node *r; sitelike2 x1, x2; double term, TEMP; Prob = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); slopeP = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); curveP = (transmatrix)Malloc((sitelength+1) * sizeof(double *)); for (i=0; i<=sitelength; ++i) { Prob[i] = (double *)Malloc((sitelength+1) * sizeof(double)); slopeP[i] = (double *)Malloc((sitelength+1) * sizeof(double)); curveP[i] = (double *)Malloc((sitelength+1) * sizeof(double)); } p = q->v; pover3 = p / 3; for (i = 0; i <= sitelength; i++) { binom1[0] = exp((sitelength - i) * log(1 - p)); for (k = 1; k <= (sitelength - i); k++) binom1[k] = binom1[k - 1] * (p / (1 - p)) * (sitelength - i - k + 1) / k; binom2[0] = exp(i * log(1 - pover3)); for (k = 1; k <= i; k++) binom2[k] = binom2[k - 1] * (pover3 / (1 - pover3)) * (i - k + 1) / k; for (j = 0; j <= sitelength; j++) { sump = 0.0; sums = 0.0; sumc = 0.0; if (i - j > 0) m1 = i - j; else m1 = 0; if (sitelength - j < i) m2 = sitelength - j; else m2 = i; for (k = m1; k <= m2; k++) { pijk = binom1[j - i + k] * binom2[k]; sump += pijk; term = (j-i+2*k)/p - (sitelength-j-k)/(1.0-p) - (i-k)/(3.0-p); sums += pijk * term; sumc += pijk * (term * term - (j-i+2*k)/(p*p) - (sitelength-j-k)/((1.0-p)*(1.0-p)) - (i-k)/((3.0-p)*(3.0-p)) ); } Prob[i][j] = sump; slopeP[i][j] = sums; curveP[i][j] = sumc; } } (*sumlr) = 0.0; sumc = 0.0; sums = 0.0; r = q->back; for (i = 1; i <= endsite; i++) { f = 0.0; slopef = 0.0; curvef = 0.0; sumr = 0.0; memcpy(x1, q->x2[i], sizeof(sitelike2)); memcpy(x2, r->x2[i], sizeof(sitelike2)); for (j = 0; j <= sitelength; j++) { liketerm = pie[j] * x1[j]; sumr += liketerm * x2[j]; for (k = 0; k <= sitelength; k++) { Qjk = liketerm * x2[k]; f += Qjk * Prob[j][k]; slopef += Qjk * slopeP[j][k]; curvef += Qjk * curveP[j][k]; } } (*sumlr) += weight[i] * log(f / sumr); sums += weight[i] * slopef / f; TEMP = slopef / f; sumc += weight[i] * (curvef / f - TEMP * TEMP); } if (trunc8) { f = 0.0; slopef = 0.0; curvef = 0.0; sumr = 0.0; memcpy(x1, q->x2[0], sizeof(sitelike2)); memcpy(x2, r->x2[0], sizeof(sitelike2)); for (j = 0; j <= sitelength; j++) { liketerm = pie[j] * x1[j]; sumr += liketerm * x2[j]; for (k = 0; k <= sitelength; k++) { Qjk = liketerm * x2[k]; f += Qjk * Prob[j][k]; slopef += Qjk * slopeP[j][k]; curvef += Qjk * curveP[j][k]; } } (*sumlr) += weightsum * log((1.0 - sumr) / (1.0 - f)); sums += weightsum * slopef / (1.0 - f); TEMP = slopef / (1.0 - f); sumc += weightsum * (curvef / (1.0 - f) + TEMP * TEMP); } for (i=0;iback; fprintf(outfile, "%4ld ", q->index - spp); fprintf(outfile, " "); if (p->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[p->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", p->index - spp); if (q->v >= 0.75) fprintf(outfile, " infinity"); else fprintf(outfile, "%13.5f", -0.75 * log(1 - 1.333333 * q->v)); if (p->iter) { s = sigma(q, &sumlr); if (s < 0.0) fprintf(outfile, " ( zero, infinity)"); else { fprintf(outfile, " ("); if (q->v - s <= 0.0) fprintf(outfile, " zero"); else fprintf(outfile, "%9.5f", -0.75 * log(1 - 1.333333 * (q->v - s))); putc(',', outfile); if (q->v + s >= 0.75) fprintf(outfile, " infinity"); else fprintf(outfile, "%12.5f", -0.75 * log(1 - 1.333333 * (q->v + s))); putc(')', outfile); } if (sumlr > 1.9205) fprintf(outfile, " *"); if (sumlr > 2.995) putc('*', outfile); } else fprintf(outfile, " (not varied)"); putc('\n', outfile); if (!p->tip) { describe(p->next->back); describe(p->next->next->back); } } /* describe */ void summarize() { /* print out information on branches of tree */ fprintf(outfile, "\nremember: "); if (outgropt) fprintf(outfile, "(although rooted by outgroup) "); fprintf(outfile, "this is an unrooted tree!\n\n"); fprintf(outfile, "Ln Likelihood = %11.5f\n\n", curtree.likelihood); fprintf(outfile, " \n"); fprintf(outfile, " Between And Length"); fprintf(outfile, " Approx. Confidence Limits\n"); fprintf(outfile, " ------- --- ------"); fprintf(outfile, " ------- ---------- ------\n"); describe(curtree.start->next->back); describe(curtree.start->next->next->back); describe(curtree.start->back); fprintf(outfile, "\n * = significantly positive, P < 0.05\n"); fprintf(outfile, " ** = significantly positive, P < 0.01\n\n\n"); } /* summarize */ void restml_treeout(node *p) { /* write out file with representation of final tree */ long i, n, w; Char c; double x; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; } else { putc('(', outtree); col++; restml_treeout(p->next->back); putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } restml_treeout(p->next->next->back); if (p == curtree.start) { putc(',', outtree); col++; if (col > 45) { putc('\n', outtree); col = 0; } restml_treeout(p->back); } putc(')', outtree); col++; } if (p->v >= 0.75) x = -1.0; else x = -0.75 * log(1 - 1.333333 * p->v); if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p == curtree.start) fprintf(outtree, ";\n"); else { fprintf(outtree, ":%*.5f", (int)(w + 7), x); col += w + 8; } } /* restml_treeout */ void inittravtree(node *p) { /* traverse tree to set initialized and v to initial values */ if (p->index < p->back->index) p->branchnum = p->index; else p->branchnum = p->back->index; branchtrans(p->branchnum, initialv); p->initialized = false; p->back->initialized = false; p->v = initialv; p->back->v = initialv; if (!p->tip) { inittravtree(p->next->back); inittravtree(p->next->next->back); } } /* inittravtree */ void treevaluate() { /* find maximum likelihood branch lengths of user tree */ long i; double dummy; inittravtree(curtree.start); smoothit = true; for (i = 1; i <= smoothings * 4; i++) smooth (curtree.start); dummy = evaluate(&curtree, curtree.start); } /* treevaluate */ void maketree() { /* construct and rearrange tree */ long i; if (usertree) { openfile(&intree,INTREE,"input tree file","r",progname,intreename); numtrees = countsemic(&intree); if (numtrees > 2) initseed(&inseed, &inseed0, seed); l0gl = (double *)Malloc(numtrees * sizeof(double)); l0gf = (double **)Malloc(numtrees * sizeof(double *)); for (i=0;i 1) putc('s', outfile); fprintf(outfile, ":\n\n"); } which = 1; while (which <= numtrees) { treeread2 (intree, &curtree.start, curtree.nodep, lengths, &trweight, &goteof, &haslengths, &spp); treevaluate(); if (reconsider) { bestyet = - nextsp*sites*sitelength*log(4.0); succeeded = true; while (succeeded) { succeeded = false; rearrange(curtree.start, curtree.start->back); } treevaluate(); } restml_printree(); summarize(); if (trout) { col = 0; restml_treeout(curtree.start); } which++; } FClose(intree); if (numtrees > 1 && weightsum > 1 ) standev2(numtrees, maxwhich, 1, endsite, maxlogl, l0gl, l0gf, aliasweight, seed); } else { for (i = 1; i <= spp; i++) enterorder[i - 1] = i; if (jumble) randumize(seed, enterorder); if (progress) { printf("\nAdding species:\n"); writename(0, 3, enterorder); } nextsp = 3; buildsimpletree(&curtree); curtree.start = curtree.nodep[enterorder[0] - 1]->back; smoothit = improve; nextsp = 4; while (nextsp <= spp) { buildnewtip(enterorder[nextsp - 1], &curtree); bestyet = - nextsp*sites*sitelength*log(4.0); if (smoothit) restml_copy_(&curtree, &priortree); addtraverse(curtree.nodep[enterorder[nextsp - 1] - 1]->back, curtree.start, true); if (smoothit) restml_copy_(&bestree, &curtree); else { insert_(curtree.nodep[enterorder[nextsp - 1] - 1]->back, qwhere); smoothit = true; for (i = 1; i<=smoothings; i++) { smooth (curtree.start); smooth (curtree.start->back); } smoothit = false; restml_copy_(&curtree, &bestree); bestyet = curtree.likelihood; } if (progress) writename(nextsp - 1, 1, enterorder); if (global && nextsp == spp) { if (progress) { printf("Doing global rearrangements\n"); printf(" "); } } succeeded = true; while (succeeded) { succeeded = false; rearrange(curtree.start, curtree.start->back); } for (i = spp; i < nonodes2; i++) { curtree.nodep[i]->initialized = false; curtree.nodep[i]->next->initialized = false; curtree.nodep[i]->next->next->initialized = false; } if (!smoothit) { smoothit = true; for (i = 1; i<=smoothings; i++) { smooth (curtree.start); smooth (curtree.start->back); } smoothit = false; restml_copy_(&curtree, &bestree); } nextsp++; } if (global && progress) { putchar('\n'); fflush(stdout); } if (njumble > 1) { if (jumb == 1) restml_copy_(&bestree, &bestree2); else if (bestree2.likelihood < bestree.likelihood) restml_copy_(&bestree, &bestree2); } if (jumb == njumble) { if (njumble > 1) restml_copy_(&bestree2, &curtree); curtree.start = curtree.nodep[outgrno - 1]->back; restml_printree(); summarize(); if (trout) { col = 0; restml_treeout(curtree.start); } } } freex2(nonodes2, curtree.nodep); if (!usertree) { freex2(nonodes2, priortree.nodep); freex2(nonodes2, bestree.nodep); if (njumble > 1) freex2(nonodes2, bestree2.nodep); } else { free(l0gl); for (i=0;i 1) { fprintf(outfile, "Data set # %ld:\n",ith); if (progress) printf("\nData set # %ld:\n",ith); } getinput(); if (ith == 1) firstset = false; for (jumb = 1; jumb <= njumble; jumb++) maketree(); } FClose(infile); FClose(outfile); FClose(outtree); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif printf("Done.\n\n"); return 0; } /* maximum likelihood phylogenies from restriction sites */ ./arbsrc_9167/GDE/PHYLIP/retree.c0000644012664100000130000023333311213220011016163 0ustar arb_buildcoders #include "phylip.h" #include "moves.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Joseph Felsenstein and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ #define maxsp 500 /* maximum number of species */ #define maxsz 999 /* size of pointer array. >= 2*maxsp - 1 */ /* this can be large without eating memory */ #define overr 4 #define which 1 typedef enum {valid, remoov, quit} reslttype; typedef enum { horiz, vert, up, updel, ch_over, upcorner, midcorner, downcorner, aa, cc, gg, tt, deleted } chartype; typedef struct treeset_t { node *root; pointarray nodep; long nonodes; boolean waswritten, hasmult, haslengths, nolengths, initialized; } treeset_t; treeset_t treesets[2]; treeset_t simplifiedtree; typedef enum { arb, use, spec } howtree; typedef enum {beforenode, atnode} movet; movet fromtype; #ifndef OLDC /* function prototypes */ void initretreenode(node **, node **, node *, long, long, long *, long *, initops, pointarray, pointarray, Char *, Char *, FILE *); void gdispose(node *); void maketriad(node **, long); void maketip(node **, long); void copynode(node *, node *); node *copytrav(node *); void copytree(void); void getoptions(void); void configure(void); void prefix(chartype); void postfix(chartype); void ltrav(node *, boolean *); boolean ifhaslengths(void); void add_at(node *, node *, node *); void add_before(node *, node *); void add_child(node *, node *); void re_move(node **, node **); void reroot(node *); void ltrav_(node *, double, double, double *, long *, long *); void precoord(node *, boolean *, double *, long *); void coordinates(node *, double, long *, long *, double *); void flatcoordinates(node *, long *); void grwrite(chartype, long, long *); void drawline(long, node *, boolean *); void printree(void); void togglelengths(void); void arbitree(void); void yourtree(void); void buildtree(void); void unbuildtree(void); void retree_help(void); void consolidatetree(long); void rearrange(void); boolean any_deleted(node *); void fliptrav(node *, boolean); void flip(long); void transpose(long); void ifdeltrav(node *, boolean *); double oltrav(node *); void outlength(void); void midpoint(void); void deltrav(node *, boolean ); void reg_del(node *, boolean); boolean isdeleted(long); void deletebranch(void); void restorebranch(void); void del_or_restore(void); void undo(void); void treetrav(node *); void simcopynode(node *, node *); node *simcopytrav(node *); void simcopytree(void); void writebranchlength(double); void treeout(node *, boolean, double, long); void maketemptriad(node **, long); void roottreeout(boolean *); void notrootedtorooted(void); void rootedtonotrooted(void); void treewrite(boolean *); void retree_window(adjwindow); void getlength(double *, reslttype *, boolean *); void changelength(void); void changename(void); void clade(void); void changeoutgroup(void); void redisplay(void); void treeconstruct(void); /* function prototypes */ #endif node *root, *garbage; long nonodes, outgrno, screenwidth, vscreenwidth, screenlines, col, treenumber, leftedge, topedge, treelines, hscroll, vscroll, scrollinc, whichtree, othertree, numtrees, treesread; double trweight; boolean waswritten, hasmult, haslengths, nolengths, nexus, xmltree; node **treeone, **treetwo; pointarray nodep; /* pointers to all nodes in current tree */ node *grbg; boolean reversed[14]; boolean graphic[14]; unsigned char cch[14]; howtree how; char intreename[FNMLNGTH],outtreename[FNMLNGTH]; boolean subtree, written, readnext; node *nuroot; Char ch; boolean delarray[maxsz]; void initretreenode(node **p, node **grbg, node *q, long len, long nodei, long *ntips, long *parens, initops whichinit, pointarray treenode, pointarray nodep, Char *str, Char *ch, FILE *intree) { /* initializes a node */ long i; boolean minusread; double valyew, divisor; switch (whichinit) { case bottom: gnu(grbg, p); (*p)->index = nodei; (*p)->tip = false; (*p)->deleted=false; (*p)->deadend=false; (*p)->onebranch=false; (*p)->onebranchhaslength=false; for (i=0;inayme[i] = '\0'; nodep[(*p)->index - 1] = (*p); break; case nonbottom: gnu(grbg, p); (*p)->index = nodei; break; case hslength: if ((*p)->back) { (*p)->back->back = *p; (*p)->haslength = (*p)->back->haslength; if ((*p)->haslength) (*p)->length = (*p)->back->length; } break; case tip: (*ntips)++; gnu(grbg, p); nodep[(*ntips) - 1] = *p; (*p)->index = *ntips; (*p)->tip = true; (*p)->hasname = true; strncpy ((*p)->nayme, str, MAXNCH); break; case length: (*p)->haslength = true; if ((*p)->back != NULL) (*p)->back->haslength = (*p)->haslength; processlength(&valyew, &divisor, ch, &minusread, intree, parens); if (!minusread) (*p)->length = valyew / divisor; else (*p)->length = 0.0; (*p)->back = q; if (haslengths && q != NULL) { (*p)->back->haslength = (*p)->haslength; (*p)->back->length = (*p)->length; } break; case hsnolength: haslengths = (haslengths && q == NULL); (*p)->haslength = false; (*p)->back = q; break; default: /*cases iter, treewt, unttrwt */ break; /*should not occur */ } } /* initretreenode */ void gdispose(node *p) { /* go through tree throwing away nodes */ node *q, *r; if (p->tip) return; q = p->next; while (q != p) { gdispose(q->back); q->tip = false; q->hasname = false; q->haslength = false; r = q; q = q->next; chuck(&grbg, r); } q->tip = false; q->hasname = false; q->haslength = false; chuck(&grbg, q); } /* gdispose */ void maketriad(node **p, long index) { /* Initiate an internal node with stubs for two children */ long i, j; node *q; q = NULL; for (i = 1; i <= 3; i++) { gnu(&grbg, p); (*p)->index = index; (*p)->hasname = false; (*p)->haslength = false; (*p)->deleted=false; (*p)->deadend=false; (*p)->onebranch=false; (*p)->onebranchhaslength=false; for (j=0;jnayme[j] = '\0'; (*p)->next = q; q = *p; } (*p)->next->next->next = *p; q = (*p)->next; while (*p != q) { (*p)->back = NULL; (*p)->tip = false; *p = (*p)->next; } nodep[index - 1] = *p; } /* maketriad */ void maketip(node **p, long index) { /* Initiate a tip node */ gnu(&grbg, p); (*p)->index = index; (*p)->tip = true; (*p)->hasname = false; (*p)->haslength = false; nodep[index - 1] = *p; } /* maketip */ void copynode(node *fromnode, node *tonode) { /* Copy the contents of a node from fromnode to tonode. */ int i; tonode->index = fromnode->index; tonode->deleted = fromnode->deleted; tonode->tip = fromnode->tip; tonode->hasname = fromnode->hasname; if (fromnode->hasname) for (i=0;inayme[i] = fromnode->nayme[i]; tonode->haslength = fromnode->haslength; if (fromnode->haslength) tonode->length = fromnode->length; } /* copynode */ node *copytrav(node *p) { /* Traverse the tree from p on down, copying nodes to the other tree */ node *q, *newnode, *newnextnode, *temp; gnu(&grbg, &newnode); copynode(p,newnode); if (nodep[p->index-1] == p) treesets[othertree].nodep[p->index-1] = newnode; /* if this is a tip, return now */ if (p->tip) return newnode; /* go around the ring, copying as we go */ q = p->next; gnu(&grbg, &newnextnode); copynode(q, newnextnode); newnode->next = newnextnode; do { newnextnode->back = copytrav(q->back); newnextnode->back->back = newnextnode; q = q->next; if (q == p) newnextnode->next = newnode; else { temp = newnextnode; gnu(&grbg, &newnextnode); copynode(q, newnextnode); temp->next = newnextnode; } } while (q != p); return newnode; } /* copytrav */ void copytree() { /* Make a complete copy of the current tree for undo purposes */ if (whichtree == 1) othertree = 0; else othertree = 1; treesets[othertree].root = copytrav(root); treesets[othertree].nonodes = nonodes; treesets[othertree].waswritten = waswritten; treesets[othertree].hasmult = hasmult; treesets[othertree].haslengths = haslengths; treesets[othertree].nolengths = nolengths; treesets[othertree].initialized = true; } /* copytree */ void getoptions() { /* interactively set options */ long loopcount; Char ch; boolean done, gotopt; long maxinput; how = use; outgrno = 1; maxinput = 1; loopcount = 0; do { cleerhome(); printf("\nTree Rearrangement, version %s\n\n",VERSION); printf("Settings for this run:\n"); printf(" U Initial tree (arbitrary, user, specify)?"); if (how == arb) printf(" Arbitrary\n"); else if (how == use) printf(" User tree from tree file\n"); else printf(" Tree you specify\n"); printf(" N Format to write out trees (PHYLIP, Nexus, XML)?"); if (nexus) printf(" Nexus\n"); else { if (xmltree) printf(" XML\n"); else printf(" PHYLIP\n"); } printf(" 0 Graphics type (IBM PC, ANSI)?"); if (ibmpc) printf(" IBM PC\n"); if (ansi ) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" W Width of terminal screen, of plotting area?"); printf("%4ld, %2ld\n", screenwidth, vscreenwidth); printf(" L Number of lines on screen?"); printf("%4ld\n", screenlines); printf("\nAre these settings correct?"); printf(" (type Y or the letter for one to change)\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; ch = (isupper(ch)) ? ch : toupper(ch); done = (ch == 'Y'); gotopt = (ch == 'U' || ch == 'N' || ch == '0' || ch == 'L' || ch == 'W'); if (gotopt) { switch (ch) { case 'U': if (how == arb) how = use; else if (how == use) how = spec; else how = arb; break; case 'N': if (nexus) { nexus = false; xmltree = true; } else if (xmltree) xmltree = false; else nexus = true; break; case '0': initterminal(&ibmpc, &ansi); break; case 'L': initnumlines(&screenlines); break; case 'W': screenwidth= readlong("Width of terminal screen (in characters)?\n"); vscreenwidth=readlong("Width of plotting area (in characters)?\n"); break; } } if (!(gotopt || done)) printf("Not a possible option!\n"); countup(&loopcount, 100); } while (!done); if (scrollinc < screenwidth / 2.0) hscroll = scrollinc; else hscroll = screenwidth / 2; if (scrollinc < screenlines / 2.0) vscroll = scrollinc; else vscroll = screenlines / 2; } /* getoptions */ void configure() { /* configure to machine -- set up special characters */ chartype a; for (a = horiz; (long)a <= (long)deleted; a = (chartype)((long)a + 1)) reversed[(long)a] = false; for (a = horiz; (long)a <= (long)deleted; a = (chartype)((long)a + 1)) graphic[(long)a] = false; cch[(long)deleted] = '.'; cch[(long)updel] = ':'; if (ibmpc) { cch[(long)horiz] = '>'; cch[(long)vert] = 186; graphic[(long)vert] = true; cch[(long)up] = 186; graphic[(long)up] = true; cch[(long)ch_over] = 205; graphic[(long)ch_over] = true; cch[(long)upcorner] = 200; graphic[(long)upcorner] = true; cch[(long)midcorner] = 204; graphic[(long)midcorner] = true; cch[(long)downcorner] = 201; graphic[(long)downcorner] = true; return; } if (ansi) { cch[(long)horiz] = '>'; cch[(long)vert] = cch[(long)horiz]; reversed[(long)vert] = true; cch[(long)up] = 'x'; graphic[(long)up] = true; cch[(long)ch_over] = 'q'; graphic[(long)ch_over] = true; cch[(long)upcorner] = 'm'; graphic[(long)upcorner] = true; cch[(long)midcorner] = 't'; graphic[(long)midcorner] = true; cch[(long)downcorner] = 'l'; graphic[(long)downcorner] = true; return; } cch[(long)horiz] = '>'; cch[(long)vert] = ' '; cch[(long)up] = '!'; cch[(long)upcorner] = '`'; cch[(long)midcorner] = '+'; cch[(long)downcorner] = ','; cch[(long)ch_over] = '-'; } /* configure */ void prefix(chartype a) { /* give prefix appropriate for this character */ if (reversed[(long)a]) prereverse(ansi); if (graphic[(long)a]) pregraph2(ansi); } /* prefix */ void postfix(chartype a) { /* give postfix appropriate for this character */ if (reversed[(long)a]) postreverse(ansi); if (graphic[(long)a]) postgraph2(ansi); } /* postfix */ void ltrav(node *p, boolean *localhl) { /* Traversal function for ifhaslengths() */ node *q; if (p->tip) { (*localhl) = ((*localhl) && p->haslength); return; } q = p->next; do { (*localhl) = ((*localhl) && q->haslength); if ((*localhl)) ltrav(q->back, localhl); q = q->next; } while (p != q); } /* ltrav */ boolean ifhaslengths() { /* return true if every branch in tree has a length */ boolean localhl; localhl = true; ltrav(root, &localhl); return localhl; } /* ifhaslengths */ void add_at(node *below, node *newtip, node *newfork) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant */ node *leftdesc, *rtdesc; double length; if (below != nodep[below->index - 1]) below = nodep[below->index - 1]; if (newfork == NULL) { nonodes++; maketriad (&newfork, nonodes); if (haslengths) { newfork->haslength = true; newfork->next->haslength = true; newfork->next->next->haslength = true; } } if (below->back != NULL) { below->back->back = newfork; } newfork->back = below->back; leftdesc = newtip; rtdesc = below; rtdesc->back = newfork->next->next; newfork->next->next->back = rtdesc; newfork->next->back = leftdesc; leftdesc->back = newfork->next; if (root == below) root = newfork; root->back = NULL; if (!haslengths) return; if (newfork->back != NULL) { length = newfork->back->length / 2.0; newfork->length = length; newfork->back->length = length; below->length = length; below->back->length = length; } else { length = newtip->length / 2.0; newtip->length = length; newtip->back->length = length; below->length = length; below->back->length = length; below->haslength = true; } newtip->back->length = newtip->length; } /* add_at */ void add_before(node *atnode, node *newtip) { /* inserts the node newtip together with its ancestral fork into the tree next to the node atnode. */ /*xx ?? debug what to do if no ancestral node -- have to create one */ /*xx this case is handled by add_at. However, add_at does not account for when there is more than one sibling for the relocated newtip */ node *q; if (atnode != nodep[atnode->index - 1]) atnode = nodep[atnode->index - 1]; q = nodep[newtip->index-1]->back; if (q != NULL) { q = nodep[q->index-1]; if (newtip == q->next->next->back) { q->next->back = newtip; newtip->back = q->next; q->next->next->back = NULL; } } if (newtip->back != NULL) { add_at(atnode, newtip, nodep[newtip->back->index-1]); } else { add_at(atnode, newtip, NULL); } } /* add_before */ void add_child(node *parent, node *newchild) { /* adds the node newchild into the tree as the last child of parent */ int i; node *newnode, *q; if (parent != nodep[parent->index - 1]) parent = nodep[parent->index - 1]; gnu(&grbg, &newnode); newnode->tip = false; newnode->deleted=false; newnode->deadend=false; newnode->onebranch=false; newnode->onebranchhaslength=false; for (i=0;inayme[i] = '\0'; newnode->index = parent->index; q = parent; do { q = q->next; } while (q->next != parent); newnode->next = parent; q->next = newnode; newnode->back = newchild; newchild->back = newnode; if (newchild->haslength) { newnode->length = newchild->length; newnode->haslength = true; } else newnode->haslength = false; } /* add_child */ void re_move(node **item, node **fork) { /* Removes node item from the tree. If item has one sibling, removes its ancestor, fork, from the tree as well and attach item's sib to fork's ancestor. In this case, it returns a pointer to the removed fork node which is still attached to item. */ node *p =NULL, *q; int nodecount; if ((*item)->back == NULL) { *fork = NULL; return; } *fork = nodep[(*item)->back->index - 1]; nodecount = 0; if ((*fork)->next->back == *item) p = *fork; q = (*fork)->next; do { nodecount++; if (q->next->back == *item) p = q; q = q->next; } while (*fork != q); if (nodecount > 2) { fromtype = atnode; p->next = (*item)->back->next; chuck(&grbg, (*item)->back); (*item)->back = NULL; /*xx*/ *fork = NULL; } else { /* traditional (binary tree) remove code */ if (*item == (*fork)->next->back) { if (root == *fork) root = (*fork)->next->next->back; } else { if (root == *fork) root = (*fork)->next->back; } fromtype = beforenode; /* stitch nodes together, leaving out item */ p = (*item)->back->next->back; q = (*item)->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; if (haslengths) { if (p != NULL && q != NULL) { p->length += q->length; q->length = p->length; } else (*item)->length = (*fork)->next->length + (*fork)->next->next->length; } (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } (*item)->back = NULL; } /* endif nodecount > 2 else */ } /* re_move */ void reroot(node *outgroup) { /* Reorient tree so that outgroup is by itself on the left of the root */ node *p, *q, *r; long nodecount = 0; double templen; q = root->next; do { /* when this loop exits, p points to the internal */ p = q; /* node to the right of root */ nodecount++; q = p->next; } while (q != root); r = p; /* There is no point in proceeding if 1. outgroup is a child of root, and 2. the tree bifurcates at the root. */ if((outgroup->back->index == root->index) && !(nodecount > 2)) return; /* reorient nodep array The nodep array must point to the ring member of each ring that is closest to the root. The while loop changes the ring member pointed to by nodep[] for those nodes that will have their orientation changed by the reroot operation. */ p = outgroup->back; while (p->index != root->index) { q = nodep[p->index - 1]->back; nodep[p->index - 1] = p; p = q; } if (nodecount > 2) nodep[p->index - 1] = p; /* If nodecount > 2, the current node ring to which root is pointing will remain in place and root will point somewhere else. */ /* detach root from old location */ if (nodecount > 2) { r->next = root->next; root->next = NULL; nonodes++; maketriad(&root, nonodes); if (haslengths) { /* root->haslength remains false, or else treeout() will generate a bogus extra length */ root->next->haslength = true; root->next->next->haslength = true; } } else { /* if (nodecount > 2) else */ q = root->next; q->back->back = r->back; r->back->back = q->back; if (haslengths) { r->back->length = r->back->length + q->back->length; q->back->length = r->back->length; } } /* if (nodecount > 2) endif */ /* tie root into new location */ root->next->back = outgroup; root->next->next->back = outgroup->back; outgroup->back->back = root->next->next; outgroup->back = root->next; /* place root equidistant between left child (outgroup) and right child by deviding outgroup's length */ if (haslengths) { templen = outgroup->length / 2.0; outgroup->length = templen; outgroup->back->length = templen; root->next->next->length = templen; root->next->next->back->length = templen; } } /* reroot */ void ltrav_(node *p, double lengthsum, double lmin, double *tipmax, long *across, long *maxchar) { node *q; long rchar, nl; double sublength; if (p->tip) { if (lengthsum > (*tipmax)) (*tipmax) = lengthsum; if (lmin == 0.0) return; rchar = (long)(lengthsum / (*tipmax) * (*across) + 0.5); nl = strlen(nodep[p->index - 1]->nayme); if (rchar + nl > (*maxchar)) (*across) = (*maxchar) - (long)(nl * (*tipmax) / lengthsum + 0.5); return; } q = p->next; do { if (q->length >= lmin) sublength = q->length; else sublength = lmin; ltrav_(q->back, lengthsum + sublength, lmin, tipmax, across, maxchar); q = q->next; } while (p != q); } /* ltrav */ void precoord(node *nuroot,boolean *subtree,double *tipmax,long *across) { /* set tipmax and across so that tree is scaled to screenwidth */ double oldtipmax, minimum; long i, maxchar; (*tipmax) = 0.0; if ((*subtree)) maxchar = vscreenwidth - 13; else maxchar = vscreenwidth - 5; (*across) = maxchar; ltrav_(nuroot, 0.0, 0.0, tipmax, across, &maxchar); i = 0; do { oldtipmax = (*tipmax); minimum = 3.0 / (*across) * (*tipmax); ltrav_(nuroot, 0.0, minimum, tipmax, across, &maxchar); i++; } while (fabs((*tipmax) - oldtipmax) > 0.01 * oldtipmax && i <= 40); } /* precoord */ void coordinates(node *p, double lengthsum, long *across, long *tipy, double *tipmax) { /* establishes coordinates of nodes for display with lengths */ node *q, *first, *last; if (p->tip) { p->xcoord = (long)((*across) * lengthsum / (*tipmax) + 0.5); p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; return; } q = p->next; do { coordinates(q->back, lengthsum + q->length, across, tipy, tipmax); q = q->next; } while (p != q); first = p->next->back; q = p; while (q->next != p) q = q->next; last = q->back; p->xcoord = (long)((*across) * lengthsum / (*tipmax) + 0.5); if (p == root) { if (root->next->next->next == root) p->ycoord = (first->ycoord + last->ycoord) / 2; else p->ycoord = p->next->next->back->ycoord; } else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* coordinates */ void flatcoordinates(node *p, long *tipy) { /* establishes coordinates of nodes for display without lengths */ node *q, *first, *last; if (p->tip) { p->xcoord = 0; p->ycoord = (*tipy); p->ymin = (*tipy); p->ymax = (*tipy); (*tipy) += down; return; } q = p->next; do { flatcoordinates(q->back, tipy); q = q->next; } while (p != q); first = p->next->back; q = p->next; while (q->next != p) q = q->next; last = q->back; p->xcoord = (last->ymax - first->ymin) * 3 / 2; if (p == root) { if (root->next->next->next == root) p->ycoord = (first->ycoord + last->ycoord) / 2; else p->ycoord = p->next->next->back->ycoord; } else p->ycoord = (first->ycoord + last->ycoord) / 2; p->ymin = first->ymin; p->ymax = last->ymax; } /* flatcoordinates */ void grwrite(chartype c, long num, long *pos) { long i; prefix(c); for (i = 1; i <= num; i++) { if ((*pos) >= leftedge && (*pos) - leftedge + 1 < screenwidth) putchar(cch[(long)c]); (*pos)++; } postfix(c); } /* grwrite */ void drawline(long i, node *nuroot, boolean *subtree) { /* draws one row of the tree diagram by moving up tree */ long pos; node *p, *q, *r, *s, *first =NULL, *last =NULL; long n, j; long up_nondel, down_nondel; boolean extra, done; chartype c, d; pos = 1; p = nuroot; q = nuroot; extra = false; if (i == (long)p->ycoord && (p == root || (*subtree))) { c = ch_over; if ((*subtree)) stwrite("Subtree:", 8, &pos, leftedge, screenwidth); if (p->index >= 100) nnwrite(p->index, 3, &pos, leftedge, screenwidth); else if (p->index >= 10) { grwrite(c, 1, &pos); nnwrite(p->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(p->index, 1, &pos, leftedge, screenwidth); } extra = true; } else { if ((*subtree)) stwrite(" ", 10, &pos, leftedge, screenwidth); else stwrite(" ", 2, &pos, leftedge, screenwidth); } do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); if (haslengths && !nolengths) n = (long)(q->xcoord - p->xcoord); else n = (long)(p->xcoord - q->xcoord); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { c = ch_over; if (!haslengths && !q->haslength) c = horiz; if (q->deleted) c = deleted; if (q == first) d = downcorner; else if (q == last) d = upcorner; else if ((long)q->ycoord == (long)p->ycoord) d = c; else d = midcorner; if (n > 1 || q->tip) { grwrite(d, 1, &pos); grwrite(c, n - 3, &pos); } if (q->index >= 100) nnwrite(q->index, 3, &pos, leftedge, screenwidth); else if (q->index >= 10) { grwrite(c, 1, &pos); nnwrite(q->index, 2, &pos, leftedge, screenwidth); } else { grwrite(c, 2, &pos); nnwrite(q->index, 1, &pos, leftedge, screenwidth); } extra = true; } else if (!q->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { c = up; if(p->deleted) c = updel; if (!p->tip) { up_nondel = 0; down_nondel = 0; r = p->next; do { s = r->back; if ((long)s->ycoord < (long)p->ycoord && !s->deleted) up_nondel = (long)s->ycoord; if (s->ycoord > p->ycoord && !s->deleted && (down_nondel == 0)) down_nondel = (long)s->ycoord; if (i < (long)p->ycoord && s->deleted && i > (long)s->ycoord) c = updel; if (i > (long)p->ycoord && s->deleted && i < (long)s->ycoord) c = updel; r = r->next; } while (r != p); if ((up_nondel != 0) && i < (long)p->ycoord && i > up_nondel) c = up; if ((down_nondel != 0) && i > (long)p->ycoord && i < down_nondel) c = up; } grwrite(c, 1, &pos); chwrite(' ', n - 1, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); } else chwrite(' ', n, &pos, leftedge, screenwidth); if (p != q) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { if (p->hasname) { n = 0; for (j = 1; j <= MAXNCH; j++) { if (nodep[p->index - 1]->nayme[j - 1] != '\0') n = j; } chwrite(':', 1, &pos, leftedge, screenwidth); for (j = 0; j < n; j++) chwrite(nodep[p->index - 1]->nayme[j], 1, &pos, leftedge, screenwidth); } } putchar('\n'); } /* drawline */ void printree() { /* prints out diagram of the tree */ long across; long tipy; double tipmax; long i, rover, dow, vmargin; haslengths = ifhaslengths(); if (!subtree) nuroot = root; cleerhome(); tipy = 1; rover = 100 / spp; if (rover > overr) rover = overr; dow = down; if (spp * dow > screenlines && !subtree) { dow--; rover--; } if (haslengths && !nolengths) { precoord(nuroot, &subtree, &tipmax, &across); /* protect coordinates() from div/0 errors if user decides to examine a tip as a subtree */ if (tipmax == 0) tipmax = 0.01; coordinates(nuroot, 0.0, &across, &tipy, &tipmax); } else flatcoordinates(nuroot, &tipy); vmargin = 2; treelines = tipy - dow; if (topedge != 1) { printf("** %ld lines above screen **\n", topedge - 1); vmargin++; } if ((treelines - topedge + 1) > (screenlines - vmargin)) vmargin++; for (i = 1; i <= treelines; i++) { if (i >= topedge && i < topedge + screenlines - vmargin) drawline(i, nuroot,&subtree); } if (leftedge > 1) printf("** %ld characters to left of screen ", leftedge); if ((treelines - topedge + 1) > (screenlines - vmargin)) { printf("** %ld", treelines - (topedge - 1 + screenlines - vmargin)); printf(" lines below screen **\n"); } if (treelines - topedge + vmargin + 1 < screenlines) putchar('\n'); } /* printree */ void togglelengths() { nolengths = !nolengths; printree(); } /* togglengths */ void arbitree() { long i, maxinput; node *newtip, *newfork; maxinput = 1; do { spp = readlong("How many species?\n"); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing species\n"); exxit(-1); } } while (spp <= 0); nonodes = spp * 2 - 1; maketip(&root, 1); maketip(&newtip, 2); maketriad(&newfork, spp + 1); add_at(root, newtip, newfork); for (i = 3; i <= spp; i++) { maketip(&newtip, i); maketriad(&newfork, spp + i - 1); add_at(nodep[spp + i - 3], newtip, newfork); } } /* arbitree */ void yourtree() { long uniquearray[maxsz]; long uniqueindex = 0; long i, j, k, k_max, maxinput; boolean ok, done; node *newtip, *newfork; Char ch; for (i = 0; i < maxsz; i++) uniquearray[i] = 0; spp = 2; nonodes = spp * 2 - 1; maketip(&root, 1); maketip(&newtip, 2); maketriad(&newfork, spp + 3); add_at(root, newtip, newfork); i = 2; maxinput = 1; do { i++; printree(); printf("Enter 0 to stop building tree.\n"); printf("Add species%3ld", i); do { printf("\n at or before which node (type number): "); inpnum(&j, &ok); ok = (ok && ((unsigned long)j < i || (j > spp + 2 && j < spp + i + 1))); if (!ok) printf("Impossible number. Please try again:\n"); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing number\n"); exxit(-1); } } while (!ok); maxinput = 1; if (j >= i) { /* has user chosen a non-tip? if so, offer choice */ do { printf(" Insert at node (A) or before node (B)? "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; ch = isupper(ch) ? ch : toupper(ch); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (ch != 'A' && ch != 'B'); } else ch = 'B'; /* if user has chosen a tip, set Before */ if (j != 0) { if (ch == 'A') { if (!nodep[j - 1]->tip) { maketip(&newtip, i); add_child(nodep[j - 1], nodep[i - 1]); } } else { maketip(&newtip, i); maketriad(&newfork, spp + i + 1); nodep[i-1]->back = newfork; newfork->back = nodep[i-1]; add_before(nodep[j - 1], nodep[i - 1]); } /* endif (before or at node) */ } done = (j == 0); if (!done) { if (ch == 'B') k = spp * 2 + 3; else k = spp * 2 + 2; k_max = k; do { if (nodep[k - 2] != NULL) { nodep[k - 1] = nodep[k - 2]; nodep[k - 1]->index = k; nodep[k - 1]->next->index = k; nodep[k - 1]->next->next->index = k; } k--; } while (k != spp + 3); if (j > spp + 1) j++; spp++; nonodes = spp * 2 - 1; } } while (!done); for (i = spp + 1; i <= k_max; i++) { if ((nodep[i - 1] != nodep[i]) && (nodep[i - 1] != NULL)) { uniquearray[uniqueindex++] = i; } } for (i = 0; i < uniqueindex; i++) { nodep[spp + i] = nodep[uniquearray[i] - 1]; nodep[spp + i]->index = spp + i + 1; nodep[spp + i]->next->index = spp + i + 1; nodep[spp + i]->next->next->index = spp + i + 1; } for (i = spp + uniqueindex; i <= k_max; i++) nodep[i] = NULL; nonodes = spp * 2 - 1; } /* yourtree */ void buildtree() { /* variables needed to be passed to treeread() */ long nextnode = 0; pointarray dummy_treenode=NULL; /* Ignore what happens to this */ boolean goteof = false; boolean haslengths = false; boolean firsttree; node *p, *q; long nodecount = 0; /* These assignments moved from treeconstruct -- they seem to happen only here. */ /*xx treeone & treetwo assignments should probably happen in treeconstruct. Memory leak if user reads multiple trees. */ treeone = (node **)Malloc(maxsz*sizeof(node *)); treetwo = (node **)Malloc(maxsz*sizeof(node *)); simplifiedtree.nodep = (node **)Malloc(maxsz*sizeof(node *)); subtree = false; topedge = 1; leftedge = 1; switch (how) { case arb: nodep = treeone; treesets[othertree].nodep = treetwo; arbitree(); break; case use: printf("\nReading tree file ...\n\n"); if (!readnext) { /* This is the first time through here, act accordingly */ firsttree = true; openfile(&intree,INTREE,"input tree file", "r","retree",intreename); numtrees = countsemic(&intree); treesread = 0; } else { /* This isn't the first time through here ... */ firsttree = false; } allocate_nodep(&nodep, &intree, &spp); /*xx*/treesets[whichtree].nodep = nodep; if (firsttree) nayme = (naym *)Malloc(spp*sizeof(naym)); treeread(intree, &root, dummy_treenode, &goteof, &firsttree, nodep, &nextnode, &haslengths, &grbg, initretreenode); nonodes = nextnode; treesread++; treesets[othertree].nodep = treetwo; break; case spec: nodep = treeone; treesets[othertree].nodep = treetwo; yourtree(); break; } q = root->next; do { p = q; nodecount++; q = p->next; } while (q != root); outgrno = root->next->back->index; if(!(nodecount > 2)) { reroot(nodep[outgrno - 1]); } } /* buildtree */ void unbuildtree() { /* throw all nodes of the tree onto the garbage heap */ long i; gdispose(root); for (i = 0; i < nonodes; i++) nodep[i] = NULL; } /* unbuildtree */ void retree_help() { /* display help information */ char tmp[100]; printf("\n\n . Redisplay the same tree again\n"); if (haslengths) { printf(" = Redisplay the same tree with"); if (!nolengths) printf("out/with"); else printf("/without"); printf(" lengths\n"); } printf(" U Undo the most recent change in the tree\n"); printf(" W Write tree to a file\n"); printf(" + Read next tree from file (may blow up if none is there)\n"); printf("\n"); printf(" R Rearrange a tree by moving a node or group\n"); printf(" O select an Outgroup for the tree\n"); if (haslengths) printf(" M Midpoint root the tree\n"); printf(" T Transpose immediate branches at a node\n"); printf(" F Flip (rotate) subtree at a node\n"); printf(" D Delete or restore nodes\n"); printf(" B Change or specify the length of a branch\n"); printf(" N Change or specify the name(s) of tip(s)\n"); printf("\n"); printf(" H Move viewing window to the left\n"); printf(" J Move viewing window downward\n"); printf(" K Move viewing window upward\n"); printf(" L Move viewing window to the right\n"); printf(" C show only one Clade (subtree) (might be useful if tree is "); printf("too big)\n"); printf(" ? Help (this screen)\n"); printf(" Q (Quit) Exit from program\n"); printf(" X Exit from program\n\n"); printf(" TO CONTINUE, PRESS ON THE Return OR Enter KEY"); getstryng(tmp); printree(); } /* retree_help */ void consolidatetree(long index) { node *start, *r, *q; int i; start = nodep[index - 1]; q = start->next; while (q != start) { r = q; q = q->next; chuck(&grbg, r); } chuck(&grbg, q); i = index; while (nodep[i-1] != NULL) { r = nodep[i - 1]; if (!(r->tip)) r->index--; if (!(r->tip)) { q = r->next; do { q->index--; q = q->next; } while (r != q && q != NULL); } nodep[i - 1] = nodep[i]; i++; } nonodes--; } /* consolidatetree */ void rearrange() { long i, j, maxinput; boolean ok1, ok2; node *p, *q; char ch; printf("Remove everything to the right of which node? "); inpnum(&i, &ok1); ok1 = (ok1 && i >= 1 && i <= (spp * 2 - 1) && i != root->index); if (ok1) ok1 = !nodep[i - 1]->deleted; if (ok1) { printf("Add at or before which node? "); inpnum(&j, &ok2); ok2 = (ok2 && j >= 1 && j <= (spp * 2 - 1)); if (ok2) { if (j != root->index) ok2 = !nodep[nodep[j - 1]->back->index - 1]->deleted; } if (ok2) { /*xx This edit says "j must not be i's parent." Is this necessary anymore? */ /* ok2 = (nodep[j - 1] != nodep[nodep[i - 1]->back->index - 1]);*/ p = nodep[j - 1]; /* make sure that j is not a descendent of i */ while (p != root) { ok2 = (ok2 && p != nodep[i - 1]); p = nodep[p->back->index - 1]; } if (ok1 && ok2) { maxinput = 1; do { printf("Insert at node (A) or before node (B)? "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; ch = isupper(ch) ? ch : toupper(ch); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (ch != 'A' && ch != 'B'); if (ch == 'A') { if (!(nodep[j - 1]->deleted) && !nodep[j - 1]->tip) { copytree(); re_move(&nodep[i - 1], &q); add_child(nodep[j - 1], nodep[i - 1]); if (fromtype == beforenode) consolidatetree(q->index); } else ok2 = false; } else { if (j != root->index) { /* can't insert at root */ copytree(); printf("Insert before node %ld\n",j); re_move(&nodep[i - 1], &q); if (q != NULL) { nodep[q->index-1]->next->back = nodep[i-1]; nodep[i-1]->back = nodep[q->index-1]->next; } add_before(nodep[j - 1], nodep[i - 1]); } else ok2 = false; } /* endif (before or at node) */ } /* endif (ok to do move) */ } /* endif (destination node ok) */ } /* endif (from node ok) */ printree(); if (!(ok1 && ok2)) printf("Not a possible rearrangement. Try again: \n"); else { written = false; } } /* rearrange */ boolean any_deleted(node *p) { /* return true if there are any deleted branches from branch on down */ boolean localdl; localdl = false; ifdeltrav(p, &localdl); return localdl; } /* any_deleted */ void fliptrav(node *p, boolean recurse) { node *q, *temp, *r =NULL, *rprev =NULL, *l, *lprev; boolean lprevflag; int nodecount, loopcount, i; if (p->tip) return; q = p->next; l = q; lprev = p; nodecount = 0; do { nodecount++; if (q->next->next == p) { rprev = q; r = q->next; } q = q->next; } while (p != q); if (nodecount == 1) return; loopcount = nodecount / 2; for (i=0; inext = r; rprev->next = l; temp = r->next; r->next = l->next; l->next = temp; if (i < (loopcount - 1)) { lprevflag = false; q = p->next; do { if (q == lprev->next && !lprevflag) { lprev = q; l = q->next; lprevflag = true; } if (q->next == rprev) { rprev = q; r = q->next; } q = q->next; } while (p != q); } } if (recurse) { q = p->next; do { fliptrav(q->back, true); q = q->next; } while (p != q); } } /* fliptrav */ void flip(long atnode) { /* flip at a node left-right */ long i; boolean ok; if (atnode == 0) { printf("Flip branches at which node? "); inpnum(&i, &ok); ok = (ok && i > spp && i <= nonodes); if (ok) ok = !any_deleted(nodep[i - 1]); } else { i = atnode; ok = true; } if (ok) { copytree(); fliptrav(nodep[i - 1], true); } if (atnode == 0) printree(); if (ok) { written = false; return; } if ((i >= 1 && i <= spp) || (i > spp && i <= nonodes && any_deleted(nodep[i - 1]))) printf("Can't flip there. "); else printf("No such node. "); } /* flip */ void transpose(long atnode) { /* flip at a node left-right */ long i; boolean ok; if (atnode == 0) { printf("Transpose branches at which node? "); inpnum(&i, &ok); ok = (ok && i > spp && i <= nonodes); if (ok) ok = !nodep[i - 1]->deleted; } else { i = atnode; ok = true; } if (ok) { copytree(); fliptrav(nodep[i - 1], false); } if (atnode == 0) printree(); if (ok) { written = false; return; } if ((i >= 1 && i <= spp) || (i > spp && i <= nonodes && nodep[i - 1]->deleted)) printf("Can't transpose there. "); else printf("No such node. "); } /* transpose */ void ifdeltrav(node *p, boolean *localdl) { node *q; if (*localdl) return; if (p->tip) { (*localdl) = ((*localdl) || p->deleted); return; } q = p->next; do { (*localdl) = ((*localdl) || q->deleted); ifdeltrav(q->back, localdl); q = q->next; } while (p != q); } /* ifdeltrav */ double oltrav(node *p) { node *q; double maxlen, templen; if (p->deleted) return 0.0; if (p->tip) { p->beyond = 0.0; return 0.0; } else { q = p->next; maxlen = 0; do { templen = q->back->deleted ? 0.0 : q->length + oltrav(q->back); maxlen = (maxlen > templen) ? maxlen : templen; q->beyond = templen; q = q->next; } while (p != q); p->beyond = maxlen; return (maxlen); } } /* oltrav */ void outlength() { /* compute the farthest combined length out from each node */ double dummy; dummy = oltrav(root); } /* outlength */ void midpoint() { /* midpoint root the tree */ double balance, greatlen, lesslen, grlen, lslen, maxlen; node *maxnode, *grnode, *lsnode =NULL; boolean ok = true; boolean changed = false; node *p, *q; long nodecount = 0; boolean multi = false; copytree(); p = root; outlength(); q = p->next; greatlen = 0; grnode = q->back; lesslen = 0; q = root->next; do { p = q; nodecount++; q = p->next; } while (q != root); if (nodecount > 2) multi = true; /* Find the two greatest lengths reaching from root to tips. Also find the lengths and node pointers of the first nodes in the direction of those two greatest lengths. */ p = root; q = root->next; do { if (greatlen <= q->beyond) { lesslen = greatlen; lsnode = grnode; greatlen = q->beyond; grnode = q->back; } if ((greatlen > q->beyond) && (q->beyond > lesslen)) { lesslen = q->beyond; lsnode = q->back; } q = q->next; } while (p != q); /* If we don't have two non-deleted nodes to balance between then we can't midpoint root the tree */ if (grnode->deleted || lsnode->deleted || grnode == lsnode) ok = false; balance = greatlen - (greatlen + lesslen) / 2.0; grlen = grnode->length; lslen = lsnode->length; while ((balance > grlen) && ok) { /* First, find the most distant immediate child of grnode and reroot to it. */ p = grnode; q = p->next; maxlen = 0; maxnode = q->back; do { if (maxlen <= q->beyond) { maxlen = q->beyond; maxnode = q->back; } q = q->next; } while (p != q); reroot(maxnode); changed = true; /* Reassess the situation, using the same "find the two greatest lengths" code as occurs before the while loop. If another reroot is necessary, this while loop will repeat. */ p = root; outlength(); q = p->next; greatlen = 0; grnode = q->back; lesslen = 0; do { if (greatlen <= q->beyond) { lesslen = greatlen; lsnode = grnode; greatlen = q->beyond; grnode = q->back; } if ((greatlen > q->beyond) && (q->beyond > lesslen)) { lesslen = q->beyond; lsnode = q->back; } q = q->next; } while (p != q); if (grnode->deleted || lsnode->deleted || grnode == lsnode) ok = false; balance = greatlen - (greatlen + lesslen) / 2.0; grlen = grnode->length; lslen = lsnode->length; }; /* end of while ((balance > grlen) && ok) */ if (ok) { /*xx the following ignores deleted nodes */ /* this may be ok because deleted nodes are omitted from length calculations */ if (multi) { reroot(grnode); /*xx need length corrections */ p = root; outlength(); q = p->next; greatlen = 0; grnode = q->back; lesslen = 0; do { if (greatlen <= q->beyond) { lesslen = greatlen; lsnode = grnode; greatlen = q->beyond; grnode = q->back; } if ((greatlen > q->beyond) && (q->beyond > lesslen)) { lesslen = q->beyond; lsnode = q->back; } q = q->next; } while (p != q); balance = greatlen - (greatlen + lesslen) / 2.0; } grnode->length -= balance; grnode->back->length = grnode->length; lsnode->length += balance; lsnode->back->length = lsnode->length; } printree(); if (ok) { if (any_deleted(root)) printf("Deleted nodes were not used in midpoint calculations.\n"); } else { printf("Can't perform midpoint because of deleted branches.\n"); if (changed) { undo(); printf("Tree restored to original state. Undo information lost.\n"); } } } /* midpoint */ void deltrav(node *p, boolean value) { /* register p and p's children as deleted or extant, depending on value */ node *q; p->deleted = value; if (p->tip) return; q = p->next; do { deltrav(q->back, value); q = q->next; } while (p != q); } /* deltrav */ void reg_del(node *delp, boolean value) { /* register delp and all of delp's children as deleted */ deltrav(delp, value); } /* reg_del */ boolean isdeleted(long nodenum) { /* true if nodenum is a node number in a deleted branch */ return(nodep[nodenum - 1]->deleted); } /* isdeleted */ void deletebranch() { /* delete a node */ long i; boolean ok1; printf("Delete everything to the right of which node? "); inpnum(&i, &ok1); ok1 = (ok1 && i >= 1 && i <= nonodes && i != root->index && !isdeleted(i)); if (ok1) { copytree(); reg_del(nodep[i - 1],true); } printree(); if (!ok1) printf("Not a possible deletion. Try again.\n"); else { written = false; } } /* deletebranch */ void restorebranch() { /* restore deleted branches */ long i; boolean ok1; printf("Restore everything to the right of which node? "); inpnum(&i, &ok1); ok1 = (ok1 && i >= 1 && i < spp * 2 && i != root->index && isdeleted(i) && !nodep[nodep[i - 1]->back->index - 1]->deleted); if (ok1) { reg_del(nodep[i - 1],false); } printree(); if (!ok1) printf("Not a possible restoration. Try again: \n"); else { written = false; } } /* restorebranch */ void del_or_restore() { /* delete or restore a branch */ long maxinput; Char ch; if (any_deleted(root)) { maxinput = 1; do { printf("Enter D to delete a branch\n"); printf("OR enter R to restore a branch: "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; ch = (isupper(ch)) ? ch : toupper(ch); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (ch != 'D' && ch != 'R'); if (ch == 'R') restorebranch(); else deletebranch(); } else deletebranch(); } /* del_or_restore */ void undo() { /* don't undo to an uninitialized tree */ if (!treesets[othertree].initialized) { printree(); printf("Nothing to undo.\n"); return; } treesets[whichtree].root = root; treesets[whichtree].nodep = nodep; treesets[whichtree].nonodes = nonodes; treesets[whichtree].waswritten = waswritten; treesets[whichtree].hasmult = hasmult; treesets[whichtree].haslengths = haslengths; treesets[whichtree].nolengths = nolengths; treesets[whichtree].initialized = true; whichtree = othertree; root = treesets[whichtree].root; nodep = treesets[whichtree].nodep; nonodes = treesets[whichtree].nonodes; waswritten = treesets[whichtree].waswritten; hasmult = treesets[whichtree].hasmult; haslengths = treesets[whichtree].haslengths; nolengths = treesets[whichtree].nolengths; if (othertree == 0) othertree = 1; else othertree = 0; printree(); } /* undo */ /* These attributes of nodes in the tree are modified by treetrav() in preparation for writing a tree to disk. boolean deadend This node is not deleted but all of its children are, so this node will be treated as such when the tree is written or displayed. boolean onebranch This node has only one valid child, so that this node will not be written and its child will be written as a child of its grandparent with the appropriate summing of lengths. nodep *onebranchnode Used if onebranch is true. Onebranchnode points to the one valid child. This child may be one or more generations down from the current node. double onebranchlength Used if onebranch is true. Onebranchlength is the length from the current node to the valid child. */ void treetrav(node *p) { long branchcount = 0; node *q, *onebranchp =NULL; /* Count the non-deleted branches hanging off of this node into branchcount. If there is only one such branch, onebranchp points to that branch. */ if (p->tip) return; q = p->next; do { if (!q->back->deleted) { if (!q->back->tip) treetrav(q->back); if (!q->back->deadend && !q->back->deleted) { branchcount++; onebranchp = q->back; } } q = q->next; } while (p != q); if (branchcount == 0) p->deadend = true; else p->deadend = false; p->onebranch = false; if (branchcount == 1 && onebranchp->tip) { p->onebranch = true; p->onebranchnode = onebranchp; p->onebranchhaslength = (p->haslength || (p == root)) && onebranchp->haslength; if (p->onebranchhaslength) p->onebranchlength = onebranchp->length + p->length; } if (branchcount == 1 && !onebranchp->tip) { p->onebranch = true; if (onebranchp->onebranch) { p->onebranchnode = onebranchp->onebranchnode; p->onebranchhaslength = (p->haslength || (p == root)) && onebranchp->onebranchhaslength; if (p->onebranchhaslength) p->onebranchlength = onebranchp->onebranchlength + p->length; } else { p->onebranchnode = onebranchp; p->onebranchhaslength = p->haslength && onebranchp->haslength; if (p->onebranchhaslength) p->onebranchlength = onebranchp->length + p->length; } } } /* treetrav */ void simcopynode(node *fromnode, node *tonode) { /* Copy the contents of a node from fromnode to tonode. */ int i; tonode->index = fromnode->index; tonode->deleted = fromnode->deleted; tonode->tip = fromnode->tip; tonode->hasname = fromnode->hasname; if (fromnode->hasname) for (i=0;inayme[i] = fromnode->nayme[i]; tonode->haslength = fromnode->haslength; if (fromnode->haslength) tonode->length = fromnode->length; } /* simcopynode */ node *simcopytrav(node *p) { /* Traverse the tree from p on down, copying nodes to the other tree */ node *q, *newnode, *newnextnode, *temp; long lastnodeidx = 0; gnu(&grbg, &newnode); simcopynode(p, newnode); if (nodep[p->index - 1] == p) simplifiedtree.nodep[p->index - 1] = newnode; /* if this is a tip, return now */ if (p->tip) return newnode; if (p->onebranch && p->onebranchnode->tip) { simcopynode(p->onebranchnode, newnode); if (p->onebranchhaslength) newnode->length = p->onebranchlength; return newnode; } else if (p->onebranch && !p->onebranchnode->tip) { /* recurse down p->onebranchnode */ p->onebranchnode->length = p->onebranchlength; p->onebranchnode->haslength = p->onebranchnode->haslength; return simcopytrav(p->onebranchnode); } else { /* Multiple non-deleted branch case: go round the node recursing down the branches. Don't go down deleted branches or dead ends. */ q = p->next; while (q != p) { if (!q->back->deleted && !q->back->deadend) lastnodeidx = q->back->index; q = q->next; } q = p->next; gnu(&grbg, &newnextnode); simcopynode(q, newnextnode); newnode->next = newnextnode; do { /* If branch is deleted or is a dead end, do not recurse down the branch. */ if (!q->back->deleted && !q->back->deadend) { newnextnode->back = simcopytrav(q->back); newnextnode->back->back = newnextnode; q = q->next; if (newnextnode->back->index == lastnodeidx) { newnextnode->next = newnode; break; } if (q == p) { newnextnode->next = newnode; } else { temp = newnextnode; gnu(&grbg, &newnextnode); simcopynode(q, newnextnode); temp->next = newnextnode; } } else { /*xx this else and q=q->next are experimental (seems to be working) */ q = q->next; } } while (q != p); } return newnode; } /* simcopytrav */ void simcopytree() { /* Make a simplified copy of the current tree for rooting/unrooting on output. Deleted notes are removed and lengths are consolidated. */ simplifiedtree.root = simcopytrav(root); /*xx If there are deleted nodes, nonodes will be different. However, nonodes is not used in the simplified tree. */ simplifiedtree.nonodes = nonodes; simplifiedtree.waswritten = waswritten; simplifiedtree.hasmult = hasmult; simplifiedtree.haslengths = haslengths; simplifiedtree.nolengths = nolengths; simplifiedtree.initialized = true; } /* simcopytree */ void writebranchlength(double x) { long w; /* write branch length onto output file, keeping track of what column of line you are in, and writing to correct precision */ if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if ((long)(100000*x) == 100000*(long)x) { if (!xmltree) putc(':', outtree); fprintf(outtree, "%*.1f", (int)(w + 2), x); col += w + 3; } else { if ((long)(100000*x) == 10000*(long)(10*x)) { if (!xmltree) putc(':', outtree); fprintf(outtree, "%*.1f", (int)(w + 3), x); col += w + 4; } else { if ((long)(100000*x) == 1000*(long)(100*x)) { if (!xmltree) putc(':', outtree); fprintf(outtree, "%*.2f", (int)(w + 4), x); col += w + 5; } else { if ((long)(100000*x) == 100*(long)(1000*x)) { if (!xmltree) putc(':', outtree); fprintf(outtree, "%*.3f", (int)(w + 5), x); col += w + 6; } else { if ((long)(100000*x) == 10*(long)(10000*x)) { if (!xmltree) putc(':', outtree); fprintf(outtree, "%*.4f", (int)(w + 6), x); col += w + 7; } else { if (!xmltree) putc(':', outtree); fprintf(outtree, "%*.5f", (int)(w + 7), x); col += w + 8; } } } } } } /* writebranchlength */ void treeout(node *p, boolean writeparens, double addlength, long indent) { /* write out file with representation of final tree */ long i, n, lastnodeidx = 0; Char c; double x; boolean comma; node *q; /* If this is a tip or there are no non-deleted branches from this node, render this node as a tip (write its name). */ if (p == root) { indent = 0; if (xmltree) { fprintf(outtree, ""); /* assumes no length at root! */ } else putc('(', outtree); } if (p->tip) { if (p->hasname) { n = 0; for (i = 1; i <= MAXNCH; i++) { if ((nodep[p->index - 1]->nayme[i - 1] != '\0') && (nodep[p->index - 1]->nayme[i - 1] != ' ')) n = i; } indent += 2; if (xmltree) { putc('\n', outtree); for (i = 1; i <= indent; i++) putc(' ', outtree); fprintf(outtree, "haslength) { fprintf(outtree, " length=\""); x = p->length; writebranchlength(x); fprintf(outtree, "\""); } putc('>', outtree); fprintf(outtree, ""); } for (i = 0; i < n; i++) { c = nodep[p->index - 1]->nayme[i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; if (xmltree) fprintf(outtree, ""); } } else if (p->onebranch && p->onebranchnode->tip) { if (p->onebranchnode->hasname) { n = 0; for (i = 1; i <= MAXNCH; i++) { if ((nodep[p->index - 1]->nayme[i - 1] != '\0') && (nodep[p->index - 1]->nayme[i - 1] != ' ')) n = i; indent += 2; if (xmltree) { putc('\n', outtree); for (i = 1; i <= indent; i++) putc(' ', outtree); fprintf(outtree, "haslength && writeparens) || p->onebranch) { if (!(p->onebranch && !p->onebranchhaslength)) { fprintf(outtree, " length="); if (p->onebranch) x = p->onebranchlength; else x = p->length; x += addlength; writebranchlength(x); } fprintf(outtree, ""); } } for (i = 0; i < n; i++) { c = p->onebranchnode->nayme[i]; if (c == ' ') c = '_'; putc(c, outtree); } col += n; if (xmltree) fprintf(outtree, ""); } } } else if (p->onebranch && !p->onebranchnode->tip) { treeout(p->onebranchnode, true, 0.0, indent); } else { /* Multiple non-deleted branch case: go round the node recursing down the branches. */ if (xmltree) { putc('\n', outtree); indent += 2; for (i = 1; i <= indent; i++) putc(' ', outtree); if (p == root) fprintf(outtree, ""); } if (p != root) { if (xmltree) { fprintf(outtree, "haslength && writeparens) || p->onebranch) { if (!(p->onebranch && !p->onebranchhaslength)) { fprintf(outtree, " length="); if (p->onebranch) x = p->onebranchlength; else x = p->length; x += addlength; writebranchlength(x); } } fprintf(outtree, ">"); } else putc('(', outtree); } (col)++; q = p->next; while (q != p) { if (!q->back->deleted && !q->back->deadend) lastnodeidx = q->back->index; q = q->next; } q = p->next; while (q != p) { comma = true; /* If branch is deleted or is a dead end, do not recurse down the branch and do not write a comma afterwards. */ if (!q->back->deleted && !q->back->deadend) treeout(q->back, true, 0.0, indent); else comma = false; if (q->back->index == lastnodeidx) comma = false; q = q->next; if (q == p) break; if ((q->next == p) && (q->back->deleted || q->back->deadend)) break; if (comma && !xmltree) putc(',', outtree); (col)++; if ((!xmltree) && col > 65) { putc('\n', outtree); col = 0; } } /* The right paren ')' closes off this level of recursion. */ if (p != root) { if (xmltree) { fprintf(outtree, "\n"); for (i = 1; i <= indent; i++) putc(' ', outtree); } if (xmltree) { fprintf(outtree, ""); } else putc(')', outtree); indent -= 2; } (col)++; } if (!xmltree) if ((p->haslength && writeparens) || p->onebranch) { if (!(p->onebranch && !p->onebranchhaslength)) { if (p->onebranch) x = p->onebranchlength; else x = p->length; x += addlength; writebranchlength(x); } } if (p == root) { if (xmltree) { fprintf(outtree, "\n \n\n"); } else putc(')', outtree); } } /* treeout */ void maketemptriad(node **p, long index) { /* Initiate an internal node with stubs for two children */ long i, j; node *q; q = NULL; for (i = 1; i <= 3; i++) { gnu(&grbg, p); (*p)->index = index; (*p)->hasname = false; (*p)->haslength = false; (*p)->deleted=false; (*p)->deadend=false; (*p)->onebranch=false; (*p)->onebranchhaslength=false; for (j=0;jnayme[j] = '\0'; (*p)->next = q; q = *p; } (*p)->next->next->next = *p; q = (*p)->next; while (*p != q) { (*p)->back = NULL; (*p)->tip = false; *p = (*p)->next; } } /* maketemptriad */ void roottreeout(boolean *userwantsrooted) { /* write out file with representation of final tree */ long trnum, trnumwide; boolean treeisrooted = false; treetrav(root); simcopytree(); /* Prepare a copy of the going tree without deleted branches */ treesets[whichtree].root = root; /* Store the current root */ if (nexus) { trnum = treenumber; trnumwide = 1; while (trnum >= 10) { trnum /= 10; trnumwide++; } fprintf(outtree, "TREE PHYLIP_%*ld = ", (int)trnumwide, treenumber); if (!(*userwantsrooted)) fprintf(outtree, "[&U] "); else fprintf(outtree, "[&R] "); col += 15; } root = simplifiedtree.root; /* Point root at simplified tree */ root->haslength = false; /* Root should not have a length */ if (root->tip) treeisrooted = true; else { if (root->next->next->next == root) treeisrooted = true; else treeisrooted = false; } if (*userwantsrooted && !treeisrooted) notrootedtorooted(); if (!(*userwantsrooted) && treeisrooted) rootedtonotrooted(); if ((*userwantsrooted && treeisrooted) || (!(*userwantsrooted) && !treeisrooted)) { treeout(root,true,0.0, 0); } root = treesets[whichtree].root; /* Point root at original (real) tree */ if (!xmltree) { if (hasmult) fprintf(outtree, "[%6.4f];\n", trweight); else fprintf(outtree, ";\n"); } } /* roottreeout */ void notrootedtorooted() { node *newbase, *temp; /* root halfway along leftmost branch of unrooted tree */ /* create a new triad for the new base */ maketemptriad(&newbase,nonodes+1); /* Take left branch and make it the left branch of newbase */ newbase->next->back = root->next->back; newbase->next->next->back = root; /* If needed, divide length between left and right branches */ if (newbase->next->back->haslength) { newbase->next->back->length /= 2.0; newbase->next->next->back->length = newbase->next->back->length; newbase->next->next->back->haslength = true; } /* remove leftmost ring node from old base ring */ temp = root->next->next; chuck(&grbg, root->next); root->next = temp; /* point root at new base and write the tree */ root = newbase; treeout(root,true,0.0, 0); /* (since tree mods are to simplified tree and will not be used for general purpose tree editing, much initialization can be skipped.) */ } /* notrootedtorooted */ void rootedtonotrooted() { node *q, *r, *temp, *newbase; boolean sumhaslength = false; double sumlength = 0; /* Use the leftmost non-tip immediate descendant of the root, root at that, write a multifurcation with that as the base. If both descendants are tips, write tree as is. */ root = simplifiedtree.root; /* first, search for leftmost non-tip immediate descendent of root */ q = root->next->back; r = root->next->next->back; if (q->tip && r->tip) { treeout(root,true,0.0, 0); } else if (!(q->tip)) { /* allocate new base pointer */ gnu(&grbg,&newbase); newbase->next = q->next; q->next = newbase; q->back = r; r->back = q; if (q->haslength && r->haslength) { sumlength = q->length + r->length; sumhaslength = true; } if (sumhaslength) { q->length = sumlength; q->back->length = sumlength; } else { q->haslength = false; r->haslength = false; } chuck(&grbg, root->next->next); chuck(&grbg, root->next); chuck(&grbg, root); root = newbase; treeout(root, true, 0.0, 0); } else if (q-tip && !(r->tip)) { temp = r; do { temp = temp->next; } while (temp->next != r); gnu(&grbg,&newbase); newbase->next = temp->next; temp->next = newbase; q->back = r; r->back = q; if (q->haslength && r->haslength) { sumlength = q->length + r->length; sumhaslength = true; } if (sumhaslength) { q->length = sumlength; q->back->length = sumlength; } else { q->haslength = false; r->haslength = false; } chuck(&grbg, root->next->next); chuck(&grbg, root->next); chuck(&grbg, root); root = newbase; treeout(root, true, 0.0, 0); } } /* rootedtonotrooted */ void treewrite(boolean *done) { /* write out tree to a file */ long maxinput; boolean rooted; openfile(&outtree,OUTTREE,"output tree file","w","retree",outtreename); if (nexus) { fprintf(outtree, "#NEXUS\n"); fprintf(outtree, "BEGIN TREES\n"); fprintf(outtree, "TRANSLATE;\n"); /* MacClade needs this */ } maxinput = 1; do { printf("Enter R if the tree is to be rooted\n"); printf("OR enter U if the tree is to be unrooted: "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; ch = (isupper(ch)) ? ch : toupper(ch); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (ch != 'R' && ch != 'U'); col = 0; rooted = (ch == 'R'); roottreeout(&rooted); treenumber++; printf("\nTree written to file \"%s\"\n\n", outtreename); waswritten = true; written = true; if (!(*done)) printree(); if (!readnext && nexus) fprintf(outtree, "END;\n"); FClose(outtree); } /* treewrite */ void retree_window(adjwindow action) { /* move viewing window of tree */ switch (action) { case left: if (leftedge != 1) leftedge -= hscroll; break; case downn: /* The 'topedge + 3' is needed to allow downward scrolling when part of the tree is above the screen and only 1 or 2 lines are below it. */ if (treelines - topedge + 3 >= screenlines) topedge += vscroll; break; case upp: if (topedge != 1) topedge -= vscroll; break; case right: if (leftedge < vscreenwidth) leftedge += hscroll; break; } printree(); } /* retree_window */ void getlength(double *length, reslttype *reslt, boolean *hslngth) { long maxinput; double valyew; char tmp[100]; valyew = 0.0; maxinput = 1; do { printf("\nEnter the new branch length\n"); printf("OR enter U to leave the length unchanged\n"); if (*hslngth) printf("OR enter R to remove the length from this branch: \n"); getstryng(tmp); if (tmp[0] == 'u' || tmp[0] == 'U'){ *reslt = quit; break; } else if (tmp[0] == 'r' || tmp[0] == 'R') { (*reslt) = remoov; break;} else if (sscanf(tmp,"%lf",&valyew) == 1){ (*reslt) = valid; break;} maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (1); (*length) = valyew; } /* getlength */ void changelength() { /* change or specify the length of a tip */ boolean hslngth; boolean ok; long i, w, maxinput; double length, x; Char ch; reslttype reslt; node *p; maxinput = 1; do { printf("Specify length of which branch (0 = all branches)? "); inpnum(&i, &ok); ok = (ok && (unsigned long)i <= nonodes); if (ok && (i != 0)) ok = (ok && !nodep[i - 1]->deleted); if (i == 0) ok = (nodep[i - 1] != root); maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (!ok); if (i != 0) { p = nodep[i - 1]; putchar('\n'); if (p->haslength) { x = p->length; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; printf("The current length of this branch is %*.5f\n", (int)(w + 7), x); } else printf("This branch does not have a length\n"); hslngth = p->haslength; getlength(&length, &reslt, &hslngth); switch (reslt) { case valid: copytree(); p->length = length; p->haslength = true; if (p->back != NULL) { p->back->length = length; p->back->haslength = true; } break; case remoov: copytree(); p->haslength = false; if (p->back != NULL) p->back->haslength = false; break; case quit: /* blank case */ break; } } else { printf("\n (this operation cannot be undone)\n"); maxinput = 1; do { printf("\n enter U to leave the lengths unchanged\n"); printf("OR enter R to remove the lengths from all branches: \n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (ch != 'U' && ch != 'u' && ch != 'R' && ch != 'r'); if (ch == 'R' || ch == 'r') { copytree(); for (i = 0; i < spp; i++) nodep[i]->haslength = false; for (i = spp; i < nonodes; i++) { if (nodep[i] != NULL) { nodep[i]->haslength = false; nodep[i]->next->haslength = false; nodep[i]->next->next->haslength = false; } } } } printree(); } /* changelength */ void changename() { /* change or specify the name of a tip */ boolean ok; long i, n, tipno; char tipname[100]; for(;;) { for(;;) { printf("Specify name of which tip? (enter its number or 0 to quit): "); inpnum(&i, &ok); if (i > 0 && ((unsigned long)i <= spp) && ok) if (!nodep[i - 1]->deleted) { tipno = i; break; } if (i == 0) { tipno = 0; break; } } if (tipno == 0) break; if (nodep[tipno - 1]->hasname) { n = 0; /* this is valid because names are padded out to MAXNCH with nulls */ for (i = 1; i <= MAXNCH; i++) { if (nodep[tipno - 1]->nayme[i - 1] != '\0') n = i; } printf("The current name of tip %ld is \"", tipno); for (i = 0; i < n; i++) putchar(nodep[tipno - 1]->nayme[i]); printf("\"\n"); } copytree(); for (i = 0; i < MAXNCH; i++) nodep[tipno - 1]->nayme[i] = ' '; printf("Enter new tip name: "); i = 1; getstryng(tipname); strncpy(nodep[tipno-1]->nayme,tipname,MAXNCH); nodep[tipno - 1]->hasname = true; printree(); } printree(); } /* changename */ void clade() { /* pick a subtree and show only that on screen */ long i; boolean ok; printf("Select subtree rooted at which node (0 for whole tree)? "); inpnum(&i, &ok); ok = (ok && (unsigned long)i <= nonodes); if (ok) { subtree = (i > 0); if (subtree) nuroot = nodep[i - 1]; else nuroot = root; } printree(); if (!ok) printf("Not possible to use this node. "); } /* clade */ void changeoutgroup() { long i, maxinput; boolean ok; maxinput = 1; do { printf("Which node should be the new outgroup? "); inpnum(&i, &ok); ok = (ok && i >= 1 && i <= nonodes && i != root->index); if (ok) ok = (ok && !nodep[i - 1]->deleted); if (ok) ok = !nodep[nodep[i - 1]->back->index - 1]->deleted; if (ok) outgrno = i; maxinput++; if (maxinput == 100) { printf("ERROR: too many tries at choosing option\n"); exxit(-1); } } while (!ok); copytree(); reroot(nodep[outgrno - 1]); printree(); written = false; } /* changeoutgroup */ void redisplay() { long maxinput; boolean done; char ch; done = false; maxinput = 1; do { printf("\nNEXT? (Options: R . "); if (haslengths) printf("= "); printf("U W O "); if (haslengths) printf("M "); printf("T F D B N H J K L C + ? X Q) (? for Help) "); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); if (ch == '\n') ch = ' '; ch = isupper(ch) ? ch : toupper(ch); if (ch == 'C' || ch == 'F' || ch == 'O' || ch == 'R' || ch == 'U' || ch == 'X' || ch == 'Q' || ch == '.' || ch == 'W' || ch == 'B' || ch == 'N' || ch == '?' || ch == 'H' || ch == 'J' || ch == 'K' || ch == 'L' || ch == '+' || ch == 'T' || ch == 'D' || (haslengths && ch == 'M') || (haslengths && ch == '=')) { switch (ch) { case 'R': rearrange(); break; case '.': printree(); break; case '=': togglelengths(); break; case 'U': undo(); break; case 'W': treewrite(&done); break; case 'O': changeoutgroup(); break; case 'M': midpoint(); break; case 'T': transpose(0); break; case 'F': flip(0); break; case 'C': clade(); break; case 'D': del_or_restore(); break; case 'B': changelength(); break; case 'N': changename(); break; case 'H': retree_window(left); break; case 'J': retree_window(downn); break; case 'K': retree_window(upp); break; case 'L': retree_window(right); break; case '?': retree_help(); break; case '+': if (treesread 1) printf(" B Block size for block-bootstrapping? %ld\n", blocksize); else printf(" B Block size for block-bootstrapping? %ld (regular bootstrap)\n", blocksize); } if (bootstrap || jackknife || permute) printf(" R How many replicates? %ld\n", reps); if (jackknife || bootstrap || permute) { printf(" W Read weights of characters? %s\n", (weights ? "Yes" : "No")); if (data == seqs) printf(" C Read categories of sites? %s\n", (categories ? "Yes" : "No")); if ((!permute)) { printf(" F Write out data sets or just weights? %s\n", (justwts ? "Just weights" : "Data sets")); } } if (data == seqs || data == restsites) printf(" I Input sequences interleaved? %s\n", interleaved ? "Yes" : "No, sequential"); printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n", ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"); printf(" 1 Print out the data at start of run %s\n", printdata ? "Yes" : "No"); if (printdata) printf(" . Use dot-differencing to display them %s\n", dotdiff ? "Yes" : "No"); printf(" 2 Print indications of progress of run %s\n", progress ? "Yes" : "No"); printf("\n Y to accept these or type the letter for one to change\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (ch == 'Y') break; if ((bootstrap && (strchr("ABCDEFJPRWI1.20",ch) != NULL)) || ((jackknife || permute) && (strchr("ACDEFJPRWI1.20",ch) != NULL)) || (((!bootstrap) && (!jackknife) && (!permute)) && ((!xml && (strchr("ADEJPI1.20",ch) != NULL)) || (xml && (strchr("ADEJPSI1.20",ch) != NULL))))) { switch (ch) { case 'D': if (data == genefreqs) data = seqs; else data = (datatype)((long)data + 1); break; case 'A': all = !all; break; case 'E': enzymes = !enzymes; break; case 'J': if (permute) permute = false; else if (jackknife) { jackknife = false; permute = true; } else if (bootstrap) { bootstrap = false; jackknife = true; } else bootstrap = true; break; case 'P': xml = !xml; break; case 'S': switch (seq) { case (dna): seq = rna; break; case (rna): seq = protein; break; case (protein): seq = dna; break; } break; case 'B': loopcount2 = 0; do { printf("Block size?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &blocksize); getchar(); done1 = (blocksize > 0); if (!done1) { printf("BAD NUMBER: must be positive\n"); } countup(&loopcount2, 10); } while (done1 != true); break; case 'R': done1 = true; reps0 = reps; loopcount2 = 0; do { printf("Number of replicates?\n"); #ifdef WIN32 phyFillScreenColor(); #endif scanf("%ld%*[^\n]", &reps); getchar(); done1 = (reps > 0); if (!done1) { printf("BAD NUMBER: must be positive\n"); reps = reps0; } countup(&loopcount2, 10); } while (done1 != true); break; case 'W': weights = !weights; break; case 'C': categories = !categories; break; case 'F': justwts = !justwts; break; case 'I': interleaved = !interleaved; break; case '0': initterminal(&ibmpc, &ansi); break; case '1': printdata = !printdata; break; case '.': dotdiff = !dotdiff; break; case '2': progress = !progress; break; } } else printf("Not a possible option!\n"); countup(&loopcount, 100); } if (bootstrap || jackknife || permute) initseed(&inseed, &inseed0, seed); xml = xml && (data == seqs); } /* getoptions */ void seqboot_inputnumbers() { /* read numbers of species and of sites */ long i; fscanf(infile, "%ld%ld", &spp, &sites); loci = sites; maxalleles = 1; if (data == restsites && enzymes) fscanf(infile, "%ld", &nenzymes); if (data == genefreqs) { alleles = (long *)Malloc(sites*sizeof(long)); scan_eoln(infile); sites = 0; for (i = 0; i < (loci); i++) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%ld", &alleles[i]); if (alleles[i] > maxalleles) maxalleles = alleles[i]; if (all) sites += alleles[i]; else sites += alleles[i] - 1; } if (!all) maxalleles--; } } /* seqboot_inputnumbers */ void seqboot_inputfactors() { long i, j; Char ch, prevch; for (i = 2; i <= nmlngth; i++) ch = gettc(infile); prevch = ' '; j = 0; for (i = 0; i < (sites); i++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); } while (ch == ' '); if (ch != prevch) j++; prevch = ch; factorr[i] = j; } scan_eoln(infile); factors = true; } /* seqboot_inputfactors */ void inputoptions() { /* input the information on the options */ Char ch; long extranum, weightsum, i, j, k, l, m; factors = false; if (data == genefreqs) { k = 0; l = 0; for (i = 0; i < (loci); i++) { if (all) m = alleles[i]; else m = alleles[i] - 1; k++; for (j = 1; j <= m; j++) { l++; factorr[l - 1] = k; } } } else { for (i = 1; i <= (sites); i++) factorr[i - 1] = i; } for (i = 0; i < (sites); i++) oldweight[i] = 1; if (weights) inputweights2(1, sites, &weightsum, oldweight, &weights, "seqboot"); extranum = 0; readoptions(&extranum, "F"); for (i = 1; i <= extranum; i++) { matchoptions(&ch, "F"); if (ch == 'F') seqboot_inputfactors(); } if (factors && printdata) { for(i = 0; i < sites; i++) factor[i] = (char)('0' + (factorr[i]%10)); printfactors(outfile, sites, factor, " (least significant digit)"); } if (weights && printdata) printweights(outfile, 0, sites, oldweight, "Sites"); for (i = 0; i < (loci); i++) how_many[i] = 0; for (i = 0; i < (loci); i++) where[i] = 0; for (i = 1; i <= (sites); i++) { how_many[factorr[i - 1] - 1]++; if (where[factorr[i - 1] - 1] == 0) where[factorr[i - 1] - 1] = i; } groups = factorr[sites - 1]; newgroups = 0; newsites = 0; for (i = 0; i < (groups); i++) { if (oldweight[where[i] - 1] > 0) { newgroups++; newsites += how_many[i]; newwhere[newgroups - 1] = where[i]; newhowmany[newgroups - 1] = how_many[i]; } } } /* inputoptions */ void seqboot_inputdata() { /* input the names and sequences for each species */ long i, j, k, l, m, n, basesread, basesnew=0; double x; Char charstate; boolean allread, done; if (data == genefreqs) { nodef = (double **)Malloc(spp*sizeof(double *)); for (i = 0; i < (spp); i++) nodef[i] = (double *)Malloc(sites*sizeof(double)); } else { nodep = (Char **)Malloc(spp*sizeof(Char *)); for (i = 0; i < (spp); i++) nodep[i] = (Char *)Malloc(sites*sizeof(Char)); } j = nmlngth + (sites + (sites - 1) / 10) / 2 - 5; if (j < nmlngth - 1) j = nmlngth - 1; if (j > 37) j = 37; if (printdata) { fprintf(outfile, "\nBootstrapping algorithm, version %s\n\n\n",VERSION); if (data == genefreqs) fprintf(outfile, "%3ld species, %3ld loci\n\n", spp, loci); else fprintf(outfile, "%3ld species, %3ld sites\n\n", spp, sites); fprintf(outfile, "Name"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "Data\n"); fprintf(outfile, "----"); for (i = 1; i <= j; i++) putc(' ', outfile); fprintf(outfile, "----\n\n"); } interleaved = (interleaved && ((data == seqs) || (data == restsites))); if (data == genefreqs) { for (i = 1; i <= (spp); i++) { initname(i - 1); j = 1; while (j <= sites && !eoff(infile)) { if (eoln(infile)) scan_eoln(infile); fscanf(infile, "%lf", &x); if ((unsigned)x > 1.0) { printf("GENE FREQ OUTSIDE [0,1], species%3ld\n", i); exxit(-1); } else { nodef[i - 1][j - 1] = x; j++; } } scan_eoln(infile); } return; } basesread = 0; allread = false; while (!allread) { allread = true; if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp) { if ((interleaved && basesread == 0) || !interleaved) initname(i-1); j = interleaved ? basesread : 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < sites && !(eoln(infile) ||eoff(infile))) { charstate = gettc(infile); if (charstate == ' ' || (data == seqs && charstate >= '0' && charstate <= '9')) continue; uppercase(&charstate); j++; if (charstate == '.') charstate = nodep[0][j-1]; nodep[i-1][j-1] = charstate; } if (interleaved) continue; if (j < sites) scan_eoln(infile); else if (j == sites) done = true; } if (interleaved && i == 1) basesnew = j; scan_eoln(infile); if ((interleaved && j != basesnew) || ((!interleaved) && j != sites)){ printf("\n\nERROR: sequences out of alignment at site %ld", j+1); printf(" of species %ld\n\n", i); exxit(-1);} i++; } if (interleaved) { basesread = basesnew; allread = (basesread == sites); } else allread = (i > spp); } if (!printdata) return; if (data == genefreqs) m = (sites - 1) / 8 + 1; else m = (sites - 1) / 60 + 1; for (i = 1; i <= m; i++) { for (j = 0; j < (spp); j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j][k], outfile); fprintf(outfile, " "); if (data == genefreqs) l = i * 8; else l = i * 60; if (l > sites) l = sites; if (data == genefreqs) n = (i - 1) * 8; else n = (i - 1) * 60; for (k = n; k < l; k++) { if (data == genefreqs) fprintf(outfile, "%8.5f", nodef[j][k]); else { if (j + 1 > 1 && nodep[j][k] == nodep[0][k]) charstate = '.'; else charstate = nodep[j][k]; putc(charstate, outfile); if ((k + 1) % 10 == 0 && (k + 1) % 60 != 0) putc(' ', outfile); } } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } /* seqboot_inputdata */ void allocrest() { oldweight = (steptr)Malloc(sites*sizeof(long)); weight = (steptr)Malloc(sites*sizeof(long)); if (categories) category = (steptr)Malloc(sites*sizeof(long)); where = (steptr)Malloc(loci*sizeof(long)); how_many = (steptr)Malloc(loci*sizeof(long)); factor = (Char *)Malloc(sites*sizeof(Char)); factorr = (steptr)Malloc(sites*sizeof(long)); newwhere = (steptr)Malloc(loci*sizeof(long)); newhowmany = (steptr)Malloc(loci*sizeof(long)); newerwhere = (steptr)Malloc(loci*sizeof(long)); newerhowmany = (steptr)Malloc(loci*sizeof(long)); newerfactor = (steptr)Malloc(loci*maxalleles*sizeof(long)); nayme = (naym *)Malloc(spp*sizeof(naym)); } /* allocrest */ void doinput(int argc, Char *argv[]) { /* reads the input data */ getoptions(); seqboot_inputnumbers(); allocrest(); if (weights) openfile(&weightfile,WEIGHTFILE,"input weight file", "r",argv[0],weightfilename); if (categories) { openfile(&catfile,CATFILE,"input category file","r",argv[0],catfilename); openfile(&outcatfile,"outcategories","output category file","w",argv[0], outcatfilename); inputcategs(0, sites, category, 9, "SeqBoot"); } if (justwts && !permute) openfile(&outweightfile,"outweights","output weight file", "w",argv[0],outweightfilename); else { if (weights) openfile(&outweightfile,"outweights","output weight file", "w",argv[0],outweightfilename); openfile(&outfile,OUTFILE,"output data file","w",argv[0],outfilename); } inputoptions(); seqboot_inputdata(); } /* doinput */ void bootweights() { /* sets up weights by resampling data */ long i, j, k, blocks; double p, q, r; ws = newgroups; for (i = 0; i < (ws); i++) weight[i] = 0; if (jackknife) { if (newgroups & 1) { if (randum(seed) < 0.5) q = (newgroups - 1.0) / 2; else q = (newgroups + 1.0) / 2; } else q = newgroups / 2.0; r = newgroups; p = q / r; ws = 0; for (i = 0; i < (newgroups); i++) { if (randum(seed) < p) { weight[i]++; ws++; q--; } r--; if (i + 1 < newgroups) p = q / r; } } else if (permute) { for (i = 0; i < (newgroups); i++) weight[i] = 1; } else if (bootstrap) { blocks = newgroups / blocksize; for (i = 1; i <= (blocks); i++) { j = (long)(newgroups * randum(seed)) + 1; for (k = 0; k < blocksize; k++) { weight[j - 1]++; j++; if (j > newgroups) j = 1; } } } else /* case of rewriting data */ for (i = 0; i < (newgroups); i++) weight[i] = 1; for (i = 0; i < (newgroups); i++) newerwhere[i] = 0; for (i = 0; i < (newgroups); i++) newerhowmany[i] = 0; newergroups = 0; newersites = 0; for (i = 0; i < (newgroups); i++) { for (j = 1; j <= (weight[i]); j++) { newergroups++; for (k = 1; k <= (newhowmany[i]); k++) { newersites++; newerfactor[newersites - 1] = newergroups; } newerwhere[newergroups - 1] = newwhere[i]; newerhowmany[newergroups - 1] = newhowmany[i]; } } } /* bootweights */ void sppermute(long n) { long i, j, k; for (i = 1; i <= (spp - 1); i++) { k = (long)((i+1) * randum(seed)); j = sppord[n - 1][i]; sppord[n - 1][i] = sppord[n - 1][k]; sppord[n - 1][k] = j; } } /* sppermute */ void writedata() { /* write out one set of bootstrapped sequences */ long i, j, k, l, m, n, n2; double x; Char charstate; sppord = (long **)Malloc(newergroups*sizeof(long *)); for (i = 0; i < (newergroups); i++) sppord[i] = (long *)Malloc(spp*sizeof(long)); for (j = 1; j <= spp; j++) sppord[0][j - 1] = j; for (i = 1; i < newergroups; i++) { for (j = 1; j <= (spp); j++) sppord[i][j - 1] = sppord[i - 1][j - 1]; } if (!justwts || permute) { if (data == restsites && enzymes) fprintf(outfile, "%5ld %5ld% 4ld\n", spp, newergroups, nenzymes); else if (data == genefreqs) fprintf(outfile, "%5ld %5ld\n", spp, newergroups); else { if ((data == seqs) && !(bootstrap || jackknife || permute) && xml) fprintf(outfile, "\n"); else fprintf(outfile, "%5ld %5ld\n", spp, newersites); } if (data == genefreqs) { for (i = 0; i < (newergroups); i++) fprintf(outfile, " %3ld", alleles[factorr[newerwhere[i] - 1] - 1]); putc('\n', outfile); } } l = 1; if ((!(bootstrap || jackknife || permute)) && ((data == seqs) || (data == restsites))) { interleaved = !interleaved; if (!(bootstrap || jackknife || permute) && xml) interleaved = false; } if (interleaved) m = 60; else m = newergroups; do { if (m > newergroups) m = newergroups; for (j = 0; j < spp; j++) { n = 0; if (l == 1) { if (!(bootstrap || jackknife || permute) && xml) { fprintf(outfile, " \n"); fprintf(outfile, " "); } n2 = nmlngth-1; if (!(bootstrap || jackknife || permute) && xml) { while (nayme[sppord[0][j] - 1][n2] == ' ') n2--; } for (k = 0; k <= n2; k++) putc(nayme[sppord[0][j] - 1][k], outfile); if (!(bootstrap || jackknife || permute) && xml) fprintf(outfile, "\n "); } else { if (!(bootstrap || jackknife || permute) && xml) { fprintf(outfile, " "); } else { for (k = 1; k <= nmlngth; k++) putc(' ', outfile); } } for (k = l - 1; k < m; k++) { if (permute && j + 1 == 1) sppermute(newerfactor[n]); for (n2 = -1; n2 <= (newerhowmany[k] - 2); n2++) { n++; if (data == genefreqs) { if (n > 1 && (n & 7) == 1) fprintf(outfile, "\n "); x = nodef[sppord[newerfactor[n - 1] - 1][j] - 1][newerwhere[k] + n2]; fprintf(outfile, "%8.5f", x); } else { if (!(bootstrap || jackknife || permute) && xml && (n > 1) && (n % 60 == 1)) fprintf(outfile, "\n "); else if (!interleaved && (n > 1) && (n % 60 == 1)) fprintf(outfile, "\n "); charstate = nodep[sppord[newerfactor[n - 1] - 1][j] - 1][newerwhere[k] + n2]; putc(charstate, outfile); if (n % 10 == 0 && n % 60 != 0) putc(' ', outfile); } } } if (!(bootstrap || jackknife || permute) && xml) { fprintf(outfile, "\n \n"); } putc('\n', outfile); } if (interleaved) { if ((m <= newersites) && (newersites > 60)) putc('\n', outfile); l += 60; m += 60; } } while (interleaved && l <= newersites); if ((data == seqs) && (!(bootstrap || jackknife || permute) && xml)) fprintf(outfile, "\n"); for (i = 0; i < (newergroups); i++) free(sppord[i]); free(sppord); } /* writedata */ void writeweights() { /* write out one set of post-bootstrapping weights */ long k, l, m, n; l = 1; if (interleaved) m = 60; else m = newergroups; do { if (m > newergroups) m = newergroups; n = 0; for (k = l - 1; k < m; k++) { if (weight[k] < 10) fprintf(outweightfile, "%c", (char)('0'+weight[k])); else fprintf(outweightfile, "%c", (char)('A'+weight[k]-10)); n++; if (!interleaved && n > 1 && n % 60 == 1) { fprintf(outweightfile, "\n"); if (n % 10 == 0 && n % 60 != 0) putc(' ', outweightfile); } } putc('\n', outweightfile); if (interleaved) { l += 60; m += 60; } } while (interleaved && l <= newersites); } /* writeweights */ void writecategories() { /* write out categories for the bootstrapped sequences */ long k, l, m, n, n2; Char charstate; l = 1; if (interleaved) m = 60; else m = newergroups; do { if (m > newergroups) m = newergroups; n = 0; for (k = l - 1; k < m; k++) { for (n2 = -1; n2 <= (newerhowmany[k] - 2); n2++) { n++; if (!interleaved && n > 1 && n % 60 == 1) fprintf(outcatfile, "\n "); charstate = '0' + category[newerwhere[k] + n2]; putc(charstate, outcatfile); if (n % 10 == 0 && n % 60 != 0) putc(' ', outcatfile); } } if (interleaved) { l += 60; m += 60; } } while (interleaved && l <= newersites); fprintf(outcatfile, "\n "); } /* writecategories */ void bootwrite() { /* does bootstrapping and writes out data sets */ long rr, repdiv10; if (!(bootstrap || jackknife || permute)) reps = 1; repdiv10 = reps / 10; if (repdiv10 < 1) repdiv10 = 1; if (progress) putchar('\n'); for (rr = 1; rr <= (reps); rr++) { bootweights(); if (!justwts || permute) writedata(); if (justwts && !permute) writeweights(); if (categories) writecategories(); if (progress && (bootstrap || jackknife || permute) && rr % repdiv10 == 0) { printf("completed replicate number %4ld\n", rr); #ifdef WIN32 phyFillScreenColor(); #endif } } if (progress) { if (justwts) printf("\nOutput weights written to file \"%s\"\n\n", outweightfilename); else printf("\nOutput written to file \"%s\"\n\n", outfilename); } } /* bootwrite */ int main(int argc, Char *argv[]) { /* Read in sequences or frequencies and bootstrap or jackknife them */ #ifdef MAC argc = 1; /* macsetup("SeqBoot",""); */ argv[0] = "SeqBoot"; #endif init(argc,argv); openfile(&infile,INFILE,"input file","r",argv[0],infilename); ibmpc = IBMCRT; ansi = ANSICRT; doinput(argc, argv); bootwrite(); FClose(infile); if (weights) FClose(weightfile); if (categories) { FClose(catfile); FClose(outcatfile); } if (justwts && !permute) { FClose(outweightfile); } else FClose(outfile); #ifdef MAC fixmacfile(outfilename); if (justwts && !permute) fixmacfile(outweightfilename); if (categories) fixmacfile(outcatfilename); #endif printf("Done.\n\n"); #ifdef WIN32 phyRestoreConsoleAttributes(); #endif return 0; } ./arbsrc_9167/GDE/PHYLIP/seq.c0000644012664100000130000032251311213220011015464 0ustar arb_buildcoders #include "phylip.h" #include "seq.h" /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ long nonodes, endsite, outgrno, nextree, which; boolean printdata, outgropt, treeprint, dotdiff, transvp, interleaved; steptr weight, category, alias, location, ally; sequence y; void free_all_x_in_array (long nonodes, pointarray treenode) { /* used in dnaml & dnamlk */ long i, j, k; node *p; /* Zero thru spp are tips, */ for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) free(treenode[i]->x[j]); free(treenode[i]->x); } /* The rest are rings (i.e. triads) */ for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]; for (j = 1; j <= 3; j++) { for (k = 0; k < endsite; k++) free(p->x[k]); free(p->x); p = p->next; } } } } /* free_all_x_in_array */ void free_all_x2_in_array (long nonodes, pointarray treenode) { /* used in restml */ long i, j; node *p; /* Zero thru spp are tips */ for (i = 0; i < spp; i++) free(treenode[i]->x2); /* The rest are rings (i.e. triads) */ for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { free(p->x2); p = p->next; } } } /* free_all_x2_in_array */ void alloctemp(node **temp, long *zeros, long endsite) { /*used in dnacomp and dnapenny */ *temp = (node *)Malloc(sizeof(node)); (*temp)->numsteps = (steptr)Malloc(endsite*sizeof(long)); (*temp)->base = (baseptr)Malloc(endsite*sizeof(long)); (*temp)->numnuc = (nucarray *)Malloc(endsite*sizeof(nucarray)); memcpy((*temp)->base, zeros, endsite*sizeof(long)); memcpy((*temp)->numsteps, zeros, endsite*sizeof(long)); zeronumnuc(*temp, endsite); } /* alloctemp */ void freetemp(node **temp) { /* used in dnacomp, dnapars, & dnapenny */ free((*temp)->numsteps); free((*temp)->base); free((*temp)->numnuc); free(*temp); } /* freetemp */ void freetree2 (pointarray treenode, long nonodes) { /* The natural complement to alloctree2. Free all elements of all the rings (normally triads) in treenode */ long i; node *p, *q; /* The first spp elements are just nodes, not rings */ for (i = 0; i < spp; i++) free (treenode[i]); /* The rest are rings */ for (i = spp; i < nonodes; i++) { p = treenode[i]->next; while (p != treenode[i]) { q = p->next; free (p); p = q; } /* p should now point to treenode[i], which has yet to be freed */ free (p); } free (treenode); } /* freetree2 */ void inputdata(long chars) { /* input the names and sequences for each species */ /* used by dnacomp, dnadist, dnainvar, dnaml, dnamlk, dnapars, & dnapenny */ long i, j, k, l, basesread, basesnew=0; Char charstate; boolean allread, done; if (printdata) headings(chars, "Sequences", "---------"); basesread = 0; allread = false; while (!(allread)) { if (eoln(infile)) scan_eoln(infile); i = 1; while (i <= spp) { if ((interleaved && basesread == 0) || !interleaved) initname(i-1); j = (interleaved) ? basesread : 0; done = false; while (!done && !eoff(infile)) { if (interleaved) done = true; while (j < chars && !(eoln(infile) || eoff(infile))) { charstate = gettc(infile); if (charstate == '\n') charstate = ' '; if (charstate == ' ' || (charstate >= '0' && charstate <= '9')) continue; uppercase(&charstate); if ((strchr("ABCDGHKMNRSTUVWXY?O-",charstate)) == NULL){ printf("ERROR: bad base: %c at site %5ld of species %3ld\n", charstate, j+1, i); if (charstate == '.') { printf(" Periods (.) may not be used as gap characters.\n"); printf(" The correct gap character is (-)\n"); } exxit(-1); } j++; y[i - 1][j - 1] = charstate; } if (interleaved) continue; if (j < chars) scan_eoln(infile); else if (j == chars) done = true; } if (interleaved && i == 1) basesnew = j; scan_eoln(infile); if ((interleaved && j != basesnew) || (!interleaved && j != chars)) { printf("\nERROR: sequences out of alignment at position %ld", j+1); printf(" of species %ld\n\n", i); exxit(-1); } i++; } if (interleaved) { basesread = basesnew; allread = (basesread == chars); } else allread = (i > spp); } if (!printdata) return; for (i = 1; i <= ((chars - 1) / 60 + 1); i++) { for (j = 1; j <= spp; j++) { for (k = 0; k < nmlngth; k++) putc(nayme[j - 1][k], outfile); fprintf(outfile, " "); l = i * 60; if (l > chars) l = chars; for (k = (i - 1) * 60 + 1; k <= l; k++) { if (dotdiff && (j > 1 && y[j - 1][k - 1] == y[0][k - 1])) charstate = '.'; else charstate = y[j - 1][k - 1]; putc(charstate, outfile); if (k % 10 == 0 && k % 60 != 0) putc(' ', outfile); } putc('\n', outfile); } putc('\n', outfile); } putc('\n', outfile); } /* inputdata */ void alloctree(pointarray *treenode, long nonodes, boolean usertree) { /* allocate treenode dynamically */ /* used in dnapars, dnacomp, dnapenny & dnamove */ long i, j; node *p, *q; *treenode = (pointarray)Malloc(nonodes*sizeof(node *)); for (i = 0; i < spp; i++) { (*treenode)[i] = (node *)Malloc(sizeof(node)); (*treenode)[i]->tip = true; (*treenode)[i]->index = i+1; (*treenode)[i]->iter = true; (*treenode)[i]->branchnum = i+1; (*treenode)[i]->initialized = true; } if (!usertree) for (i = spp; i < nonodes; i++) { q = NULL; for (j = 1; j <= 3; j++) { p = (node *)Malloc(sizeof(node)); p->tip = false; p->index = i+1; p->iter = true; p->branchnum = i+1; p->initialized = false; p->next = q; q = p; } p->next->next->next = p; (*treenode)[i] = p; } } /* alloctree */ void allocx(long nonodes, long rcategs, pointarray treenode, boolean usertree) { /* allocate x dynamically */ /* used in dnaml & dnamlk */ long i, j, k; node *p; for (i = 0; i < spp; i++){ treenode[i]->x = (phenotype)Malloc(endsite*sizeof(ratelike)); for (j = 0; j < endsite; j++) treenode[i]->x[j] = (ratelike)Malloc(rcategs*sizeof(sitelike)); } if (!usertree) { for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->x = (phenotype)Malloc(endsite*sizeof(ratelike)); for (k = 0; k < endsite; k++) p->x[k] = (ratelike)Malloc(rcategs*sizeof(sitelike)); p = p->next; } } } } /* allocx */ void prot_allocx(long nonodes, long rcategs, pointarray treenode, boolean usertree) { /* allocate x dynamically */ /* used in proml */ long i, j, k; node *p; for (i = 0; i < spp; i++){ treenode[i]->protx = (pphenotype)Malloc(endsite*sizeof(pratelike)); for (j = 0; j < endsite; j++) treenode[i]->protx[j] = (pratelike)Malloc(rcategs*sizeof(psitelike)); } if (!usertree) { for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->protx = (pphenotype)Malloc(endsite*sizeof(pratelike)); for (k = 0; k < endsite; k++) p->protx[k] = (pratelike)Malloc(rcategs*sizeof(psitelike)); p = p->next; } } } } /* prot_allocx */ void allocx2(long nonodes, long endsite, long sitelength, pointarray treenode, boolean usertree) { /* allocate x2 dynamically */ /* used in restml */ long i, j, k, l; node *p; for (i = 0; i < spp; i++) treenode[i]->x2 = (phenotype2)Malloc(endsite*sizeof(sitelike2)); if (!usertree) { for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { p->x2 = (phenotype2)Malloc(endsite*sizeof(sitelike2)); for (k = 0; k < endsite; k++) for (l = 0; l < sitelength; l++) p->x2[k][l] = 1.0; p = p->next; } } } } /* allocx2 */ void setuptree(pointarray treenode, long nonodes, boolean usertree) { /* initialize treenodes */ long i; node *p; for (i = 1; i <= nonodes; i++) { if (i <= spp || !usertree) { treenode[i-1]->back = NULL; treenode[i-1]->tip = (i <= spp); treenode[i-1]->index = i; treenode[i-1]->numdesc = 0; treenode[i-1]->iter = true; treenode[i-1]->initialized = true; treenode[i-1]->tyme = 0.0; } } if (!usertree) { for (i = spp + 1; i <= nonodes; i++) { p = treenode[i-1]->next; while (p != treenode[i-1]) { p->back = NULL; p->tip = false; p->index = i; p->numdesc = 0; p->iter = true; p->initialized = false; p->tyme = 0.0; p = p->next; } } } } /* setuptree */ void setuptree2(tree a) { /* initialize a tree */ /* used in dnaml, dnamlk, & restml */ a.likelihood = -999999.0; a.start = a.nodep[0]->back; a.root = NULL; } /* setuptree2 */ void alloctip(node *p, long *zeros) { /* allocate a tip node */ /* used by dnacomp, dnapars, & dnapenny */ p->numsteps = (steptr)Malloc(endsite*sizeof(long)); p->oldnumsteps = (steptr)Malloc(endsite*sizeof(long)); p->base = (baseptr)Malloc(endsite*sizeof(long)); p->oldbase = (baseptr)Malloc(endsite*sizeof(long)); memcpy(p->base, zeros, endsite*sizeof(long)); memcpy(p->numsteps, zeros, endsite*sizeof(long)); memcpy(p->oldbase, zeros, endsite*sizeof(long)); memcpy(p->oldnumsteps, zeros, endsite*sizeof(long)); } /* alloctip */ void alloctrans(transptr *trans, long nonodes, long sitelength) { /* used by restml */ long i, j; *trans = (transptr)Malloc(nonodes*sizeof(transmatrix)); for (i = 0; i < nonodes; ++i){ (*trans)[i] = (transmatrix)Malloc((sitelength + 1) * sizeof(double *)); for (j = 0;j < sitelength + 1; ++j) (*trans)[i][j] = (double *)Malloc((sitelength + 1) * sizeof(double)); } } /* alloctrans */ void getbasefreqs(double freqa, double freqc, double freqg, double freqt, double *freqr, double *freqy, double *freqar, double *freqcy, double *freqgr, double *freqty, double *ttratio, double *xi, double *xv, double *fracchange, boolean freqsfrom, boolean printdata) { /* used by dnadist, dnaml, & dnamlk */ double aa, bb; if (printdata) { putc('\n', outfile); if (freqsfrom) fprintf(outfile, "Empirical "); fprintf(outfile, "Base Frequencies:\n\n"); fprintf(outfile, " A %10.5f\n", freqa); fprintf(outfile, " C %10.5f\n", freqc); fprintf(outfile, " G %10.5f\n", freqg); fprintf(outfile, " T(U) %10.5f\n", freqt); } *freqr = freqa + freqg; *freqy = freqc + freqt; *freqar = freqa / *freqr; *freqcy = freqc / *freqy; *freqgr = freqg / *freqr; *freqty = freqt / *freqy; aa = *ttratio * (*freqr) * (*freqy) - freqa * freqg - freqc * freqt; bb = freqa * (*freqgr) + freqc * (*freqty); *xi = aa / (aa + bb); *xv = 1.0 - *xi; if (*xi < 0.0) { printf("\n WARNING: This transition/transversion ratio\n"); printf(" is impossible with these base frequencies!\n"); *xi = 0.0; *xv = 1.0; (*ttratio) = (freqa*freqg+freqc*freqt)/((*freqr)*(*freqy)); printf(" Transition/transversion parameter reset\n"); printf(" so transition/transversion ratio is %10.6f\n\n", (*ttratio)); } if (freqa <= 0.0) freqa = 0.000001; if (freqc <= 0.0) freqc = 0.000001; if (freqg <= 0.0) freqg = 0.000001; if (freqt <= 0.0) freqt = 0.000001; *fracchange = (*xi) * (2 * freqa * (*freqgr) + 2 * freqc * (*freqty)) + (*xv) * (1.0 - freqa * freqa - freqc * freqc - freqg * freqg - freqt * freqt); } /* getbasefreqs */ void empiricalfreqs(double *freqa, double *freqc, double *freqg, double *freqt, steptr weight, pointarray treenode) { /* Get empirical base frequencies from the data */ /* used in dnaml & dnamlk */ long i, j, k; double sum, suma, sumc, sumg, sumt, w; *freqa = 0.25; *freqc = 0.25; *freqg = 0.25; *freqt = 0.25; for (k = 1; k <= 8; k++) { suma = 0.0; sumc = 0.0; sumg = 0.0; sumt = 0.0; for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) { w = weight[j]; sum = (*freqa) * treenode[i]->x[j][0][0]; sum += (*freqc) * treenode[i]->x[j][0][(long)C - (long)A]; sum += (*freqg) * treenode[i]->x[j][0][(long)G - (long)A]; sum += (*freqt) * treenode[i]->x[j][0][(long)T - (long)A]; suma += w * (*freqa) * treenode[i]->x[j][0][0] / sum; sumc += w * (*freqc) * treenode[i]->x[j][0][(long)C - (long)A] / sum; sumg += w * (*freqg) * treenode[i]->x[j][0][(long)G - (long)A] / sum; sumt += w * (*freqt) * treenode[i]->x[j][0][(long)T - (long)A] / sum; } } sum = suma + sumc + sumg + sumt; *freqa = suma / sum; *freqc = sumc / sum; *freqg = sumg / sum; *freqt = sumt / sum; } if (*freqa <= 0.0) *freqa = 0.000001; if (*freqc <= 0.0) *freqc = 0.000001; if (*freqg <= 0.0) *freqg = 0.000001; if (*freqt <= 0.0) *freqt = 0.000001; } /* empiricalfreqs */ void sitesort(long chars, steptr weight) { /* Shell sort keeping sites, weights in same order */ /* used in dnainvar, dnapars, dnacomp & dnapenny */ long gap, i, j, jj, jg, k, itemp; boolean flip, tied; gap = chars / 2; while (gap > 0) { for (i = gap + 1; i <= chars; i++) { j = i - gap; flip = true; while (j > 0 && flip) { jj = alias[j - 1]; jg = alias[j + gap - 1]; tied = true; k = 1; while (k <= spp && tied) { flip = (y[k - 1][jj - 1] > y[k - 1][jg - 1]); tied = (tied && y[k - 1][jj - 1] == y[k - 1][jg - 1]); k++; } if (!flip) break; itemp = alias[j - 1]; alias[j - 1] = alias[j + gap - 1]; alias[j + gap - 1] = itemp; itemp = weight[j - 1]; weight[j - 1] = weight[j + gap - 1]; weight[j + gap - 1] = itemp; j -= gap; } } gap /= 2; } } /* sitesort */ void sitecombine(long chars) { /* combine sites that have identical patterns */ /* used in dnapars, dnapenny, & dnacomp */ long i, j, k; boolean tied; i = 1; while (i < chars) { j = i + 1; tied = true; while (j <= chars && tied) { k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i - 1] - 1] == y[k - 1][alias[j - 1] - 1]); k++; } if (tied) { weight[i - 1] += weight[j - 1]; weight[j - 1] = 0; ally[alias[j - 1] - 1] = alias[i - 1]; } j++; } i = j - 1; } } /* sitecombine */ void sitescrunch(long chars) { /* move so one representative of each pattern of sites comes first */ /* used in dnapars & dnacomp */ long i, j, itemp; boolean done, found; done = false; i = 1; j = 2; while (!done) { if (ally[alias[i - 1] - 1] != alias[i - 1]) { if (j <= i) j = i + 1; if (j <= chars) { do { found = (ally[alias[j - 1] - 1] == alias[j - 1]); j++; } while (!(found || j > chars)); if (found) { j--; itemp = alias[i - 1]; alias[i - 1] = alias[j - 1]; alias[j - 1] = itemp; itemp = weight[i - 1]; weight[i - 1] = weight[j - 1]; weight[j - 1] = itemp; } else done = true; } else done = true; } i++; done = (done || i >= chars); } } /* sitescrunch */ void sitesort2(long sites, steptr aliasweight) { /* Shell sort keeping sites, weights in same order */ /* used in dnaml & dnamnlk */ long gap, i, j, jj, jg, k, itemp; boolean flip, tied, samewt; gap = sites / 2; while (gap > 0) { for (i = gap + 1; i <= sites; i++) { j = i - gap; flip = true; while (j > 0 && flip) { jj = alias[j - 1]; jg = alias[j + gap - 1]; samewt = ((weight[jj - 1] != 0) && (weight[jg - 1] != 0)) || ((weight[jj - 1] == 0) && (weight[jg - 1] == 0)); tied = samewt && (category[jj - 1] == category[jg - 1]); flip = ((!samewt) && (weight[jj - 1] == 0)) || (samewt && (category[jj - 1] > category[jg - 1])); k = 1; while (k <= spp && tied) { flip = (y[k - 1][jj - 1] > y[k - 1][jg - 1]); tied = (tied && y[k - 1][jj - 1] == y[k - 1][jg - 1]); k++; } if (!flip) break; itemp = alias[j - 1]; alias[j - 1] = alias[j + gap - 1]; alias[j + gap - 1] = itemp; itemp = aliasweight[j - 1]; aliasweight[j - 1] = aliasweight[j + gap - 1]; aliasweight[j + gap - 1] = itemp; j -= gap; } } gap /= 2; } } /* sitesort2 */ void sitecombine2(long sites, steptr aliasweight) { /* combine sites that have identical patterns */ /* used in dnaml & dnamlk */ long i, j, k; boolean tied, samewt; i = 1; while (i < sites) { j = i + 1; tied = true; while (j <= sites && tied) { samewt = ((aliasweight[i - 1] != 0) && (aliasweight[j - 1] != 0)) || ((aliasweight[i - 1] == 0) && (aliasweight[j - 1] == 0)); tied = samewt && (category[alias[i - 1] - 1] == category[alias[j - 1] - 1]); k = 1; while (k <= spp && tied) { tied = (tied && y[k - 1][alias[i - 1] - 1] == y[k - 1][alias[j - 1] - 1]); k++; } if (!tied) break; aliasweight[i - 1] += aliasweight[j - 1]; aliasweight[j - 1] = 0; ally[alias[j - 1] - 1] = alias[i - 1]; j++; } i = j; } } /* sitecombine2 */ void sitescrunch2(long sites, long i, long j, steptr aliasweight) { /* move so positively weighted sites come first */ /* used by dnainvar, dnaml, dnamlk, & restml */ long itemp; boolean done, found; done = false; while (!done) { if (aliasweight[i - 1] > 0) i++; else { if (j <= i) j = i + 1; if (j <= sites) { do { found = (aliasweight[j - 1] > 0); j++; } while (!(found || j > sites)); if (found) { j--; itemp = alias[i - 1]; alias[i - 1] = alias[j - 1]; alias[j - 1] = itemp; itemp = aliasweight[i - 1]; aliasweight[i - 1] = aliasweight[j - 1]; aliasweight[j - 1] = itemp; } else done = true; } else done = true; } done = (done || i >= sites); } } /* sitescrunch2 */ void makevalues(pointarray treenode, long *zeros, boolean usertree) { /* set up fractional likelihoods at tips */ /* used by dnacomp, dnapars, & dnapenny */ long i, j; char ns = 0; node *p; setuptree(treenode, nonodes, usertree); for (i = 0; i < spp; i++) alloctip(treenode[i], zeros); if (!usertree) { for (i = spp; i < nonodes; i++) { p = treenode[i]; do { allocnontip(p, zeros, endsite); p = p->next; } while (p != treenode[i]); } } for (j = 0; j < endsite; j++) { for (i = 0; i < spp; i++) { switch (y[i][alias[j] - 1]) { case 'A': ns = 1 << A; break; case 'C': ns = 1 << C; break; case 'G': ns = 1 << G; break; case 'U': ns = 1 << T; break; case 'T': ns = 1 << T; break; case 'M': ns = (1 << A) | (1 << C); break; case 'R': ns = (1 << A) | (1 << G); break; case 'W': ns = (1 << A) | (1 << T); break; case 'S': ns = (1 << C) | (1 << G); break; case 'Y': ns = (1 << C) | (1 << T); break; case 'K': ns = (1 << G) | (1 << T); break; case 'B': ns = (1 << C) | (1 << G) | (1 << T); break; case 'D': ns = (1 << A) | (1 << G) | (1 << T); break; case 'H': ns = (1 << A) | (1 << C) | (1 << T); break; case 'V': ns = (1 << A) | (1 << C) | (1 << G); break; case 'N': ns = (1 << A) | (1 << C) | (1 << G) | (1 << T); break; case 'X': ns = (1 << A) | (1 << C) | (1 << G) | (1 << T); break; case '?': ns = (1 << A) | (1 << C) | (1 << G) | (1 << T) | (1 << O); break; case 'O': ns = 1 << O; break; case '-': ns = 1 << O; break; } treenode[i]->base[j] = ns; treenode[i]->numsteps[j] = 0; } } } /* makevalues */ void makevalues2(long categs, pointarray treenode, long endsite, long spp, sequence y, steptr alias) { /* set up fractional likelihoods at tips */ /* used by dnaml & dnamlk */ long i, j, k, l; bases b; for (k = 0; k < endsite; k++) { j = alias[k]; for (i = 0; i < spp; i++) { for (l = 0; l < categs; l++) { for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) treenode[i]->x[k][l][(long)b - (long)A] = 0.0; switch (y[i][j - 1]) { case 'A': treenode[i]->x[k][l][0] = 1.0; break; case 'C': treenode[i]->x[k][l][(long)C - (long)A] = 1.0; break; case 'G': treenode[i]->x[k][l][(long)G - (long)A] = 1.0; break; case 'T': treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'U': treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'M': treenode[i]->x[k][l][0] = 1.0; treenode[i]->x[k][l][(long)C - (long)A] = 1.0; break; case 'R': treenode[i]->x[k][l][0] = 1.0; treenode[i]->x[k][l][(long)G - (long)A] = 1.0; break; case 'W': treenode[i]->x[k][l][0] = 1.0; treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'S': treenode[i]->x[k][l][(long)C - (long)A] = 1.0; treenode[i]->x[k][l][(long)G - (long)A] = 1.0; break; case 'Y': treenode[i]->x[k][l][(long)C - (long)A] = 1.0; treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'K': treenode[i]->x[k][l][(long)G - (long)A] = 1.0; treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'B': treenode[i]->x[k][l][(long)C - (long)A] = 1.0; treenode[i]->x[k][l][(long)G - (long)A] = 1.0; treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'D': treenode[i]->x[k][l][0] = 1.0; treenode[i]->x[k][l][(long)G - (long)A] = 1.0; treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'H': treenode[i]->x[k][l][0] = 1.0; treenode[i]->x[k][l][(long)C - (long)A] = 1.0; treenode[i]->x[k][l][(long)T - (long)A] = 1.0; break; case 'V': treenode[i]->x[k][l][0] = 1.0; treenode[i]->x[k][l][(long)C - (long)A] = 1.0; treenode[i]->x[k][l][(long)G - (long)A] = 1.0; break; case 'N': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) treenode[i]->x[k][l][(long)b - (long)A] = 1.0; break; case 'X': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) treenode[i]->x[k][l][(long)b - (long)A] = 1.0; break; case '?': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) treenode[i]->x[k][l][(long)b - (long)A] = 1.0; break; case 'O': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) treenode[i]->x[k][l][(long)b - (long)A] = 1.0; break; case '-': for (b = A; (long)b <= (long)T; b = (bases)((long)b + 1)) treenode[i]->x[k][l][(long)b - (long)A] = 1.0; break; } } } } } /* makevalues2 */ void fillin(node *p, node *left, node *rt) { /* sets up for each node in the tree the base sequence at that point and counts the changes. */ long i, j, k, n, purset, pyrset; node *q; purset = (1 << (long)A) + (1 << (long)G); pyrset = (1 << (long)C) + (1 << (long)T); if (!left) { memcpy(p->base, rt->base, endsite*sizeof(long)); memcpy(p->numsteps, rt->numsteps, endsite*sizeof(long)); q = rt; } else if (!rt) { memcpy(p->base, left->base, endsite*sizeof(long)); memcpy(p->numsteps, left->numsteps, endsite*sizeof(long)); q = left; } else { for (i = 0; i < endsite; i++) { p->base[i] = left->base[i] & rt->base[i]; p->numsteps[i] = left->numsteps[i] + rt->numsteps[i]; if (p->base[i] == 0) { p->base[i] = left->base[i] | rt->base[i]; if (transvp) { if (!((p->base[i] == purset) || (p->base[i] == pyrset))) p->numsteps[i] += weight[i]; } else p->numsteps[i] += weight[i]; } } q = rt; } if (left && rt) n = 2; else n = 1; for (i = 0; i < endsite; i++) for (j = (long)A; j <= (long)O; j++) p->numnuc[i][j] = 0; for (k = 1; k <= n; k++) { if (k == 2) q = left; for (i = 0; i < endsite; i++) { for (j = (long)A; j <= (long)O; j++) { if (q->base[i] & (1 << j)) p->numnuc[i][j]++; } } } } /* fillin */ long getlargest(long *numnuc) { /* find the largest in array numnuc */ long i, largest; largest = 0; for (i = (long)A; i <= (long)O; i++) if (numnuc[i] > largest) largest = numnuc[i]; return largest; } /* getlargest */ void multifillin(node *p, node *q, long dnumdesc) { /* sets up for each node in the tree the base sequence at that point and counts the changes according to the changes in q's base */ long i, j, b, largest, descsteps, purset, pyrset; memcpy(p->oldbase, p->base, endsite*sizeof(long)); memcpy(p->oldnumsteps, p->numsteps, endsite*sizeof(long)); purset = (1 << (long)A) + (1 << (long)G); pyrset = (1 << (long)C) + (1 << (long)T); for (i = 0; i < endsite; i++) { descsteps = 0; for (j = (long)A; j <= (long)O; j++) { b = 1 << j; if ((descsteps == 0) && (p->base[i] & b)) descsteps = p->numsteps[i] - (p->numdesc - dnumdesc - p->numnuc[i][j]) * weight[i]; } if (dnumdesc == -1) descsteps -= q->oldnumsteps[i]; else if (dnumdesc == 0) descsteps += (q->numsteps[i] - q->oldnumsteps[i]); else descsteps += q->numsteps[i]; if (q->oldbase[i] != q->base[i]) { for (j = (long)A; j <= (long)O; j++) { b = 1 << j; if (transvp) { if (b & purset) b = purset; if (b & pyrset) b = pyrset; } if ((q->oldbase[i] & b) && !(q->base[i] & b)) p->numnuc[i][j]--; else if (!(q->oldbase[i] & b) && (q->base[i] & b)) p->numnuc[i][j]++; } } largest = getlargest(p->numnuc[i]); if (q->oldbase[i] != q->base[i]) { p->base[i] = 0; for (j = (long)A; j <= (long)O; j++) { if (p->numnuc[i][j] == largest) p->base[i] |= (1 << j); } } p->numsteps[i] = (p->numdesc - largest) * weight[i] + descsteps; } } /* multifillin */ void sumnsteps(node *p, node *left, node *rt, long a, long b) { /* sets up for each node in the tree the base sequence at that point and counts the changes. */ long i; long ns, rs, ls, purset, pyrset; if (!left) { memcpy(p->numsteps, rt->numsteps, endsite*sizeof(long)); memcpy(p->base, rt->base, endsite*sizeof(long)); } else if (!rt) { memcpy(p->numsteps, left->numsteps, endsite*sizeof(long)); memcpy(p->base, left->base, endsite*sizeof(long)); } else { purset = (1 << (long)A) + (1 << (long)G); pyrset = (1 << (long)C) + (1 << (long)T); for (i = a; i < b; i++) { ls = left->base[i]; rs = rt->base[i]; ns = ls & rs; p->numsteps[i] = left->numsteps[i] + rt->numsteps[i]; if (ns == 0) { ns = ls | rs; if (transvp) { if (!((ns == purset) || (ns == pyrset))) p->numsteps[i] += weight[i]; } else p->numsteps[i] += weight[i]; } p->base[i] = ns; } } } /* sumnsteps */ void sumnsteps2(node *p,node *left,node *rt,long a,long b,long *threshwt) { /* counts the changes at each node. */ long i, steps; long ns, rs, ls, purset, pyrset; long term; if (a == 0) p->sumsteps = 0.0; if (!left) memcpy(p->numsteps, rt->numsteps, endsite*sizeof(long)); else if (!rt) memcpy(p->numsteps, left->numsteps, endsite*sizeof(long)); else { purset = (1 << (long)A) + (1 << (long)G); pyrset = (1 << (long)C) + (1 << (long)T); for (i = a; i < b; i++) { ls = left->base[i]; rs = rt->base[i]; ns = ls & rs; p->numsteps[i] = left->numsteps[i] + rt->numsteps[i]; if (ns == 0) { ns = ls | rs; if (transvp) { if (!((ns == purset) || (ns == pyrset))) p->numsteps[i] += weight[i]; } else p->numsteps[i] += weight[i]; } } } for (i = a; i < b; i++) { steps = p->numsteps[i]; if ((long)steps <= threshwt[i]) term = steps; else term = threshwt[i]; p->sumsteps += (double)term; } } /* sumnsteps2 */ void multisumnsteps(node *p, node *q, long a, long b, long *threshwt) { /* computes the number of steps between p and q */ long i, j, steps, largest, descsteps, purset, pyrset, b1; long term; if (a == 0) p->sumsteps = 0.0; purset = (1 << (long)A) + (1 << (long)G); pyrset = (1 << (long)C) + (1 << (long)T); for (i = a; i < b; i++) { descsteps = 0; for (j = (long)A; j <= (long)O; j++) { if ((descsteps == 0) && (p->base[i] & (1 << j))) descsteps = p->numsteps[i] - (p->numdesc - 1 - p->numnuc[i][j]) * weight[i]; } descsteps += q->numsteps[i]; largest = 0; for (j = (long)A; j <= (long)O; j++) { b1 = (1 << j); if (transvp) { if (b1 & purset) b1 = purset; if (b1 & pyrset) b1 = pyrset; } if (q->base[i] & b1) p->numnuc[i][j]++; if (p->numnuc[i][j] > largest) largest = p->numnuc[i][j]; } steps = (p->numdesc - largest) * weight[i] + descsteps; if ((long)steps <= threshwt[i]) term = steps; else term = threshwt[i]; p->sumsteps += (double)term; } } /* multisumnsteps */ void multisumnsteps2(node *p) { /* counts the changes at each multi-way node. Sums up steps of all descendants */ long i, j, largest, purset, pyrset, b1; node *q; baseptr b; purset = (1 << (long)A) + (1 << (long)G); pyrset = (1 << (long)C) + (1 << (long)T); for (i = 0; i < endsite; i++) { p->numsteps[i] = 0; q = p->next; while (q != p) { if (q->back) { p->numsteps[i] += q->back->numsteps[i]; b = q->back->base; for (j = (long)A; j <= (long)O; j++) { b1 = (1 << j); if (transvp) { if (b1 & purset) b1 = purset; if (b1 & pyrset) b1 = pyrset; } if (b[i] & b1) p->numnuc[i][j]++; } } q = q->next; } largest = getlargest(p->numnuc[i]); p->base[i] = 0; for (j = (long)A; j <= (long)O; j++) { if (p->numnuc[i][j] == largest) p->base[i] |= (1 << j); } p->numsteps[i] += ((p->numdesc - largest) * weight[i]); } } /* multisumnsteps2 */ boolean alltips(node *forknode, node *p) { /* returns true if all descendants of forknode except p are tips; false otherwise. */ node *q, *r; boolean tips; tips = true; r = forknode; q = forknode->next; do { if (q->back && q->back != p && !q->back->tip) tips = false; q = q->next; } while (tips && q != r); return tips; } /* alltips */ void gdispose(node *p, node **grbg, pointarray treenode) { /* go through tree throwing away nodes */ node *q, *r; p->back = NULL; if (p->tip) return; treenode[p->index - 1] = NULL; q = p->next; while (q != p) { gdispose(q->back, grbg, treenode); q->back = NULL; r = q; q = q->next; chucktreenode(grbg, r); } chucktreenode(grbg, q); } /* gdispose */ void preorder(node *p, node *r, node *root, node *removing, node *adding, node *changing, long dnumdesc) { /* recompute number of steps in preorder taking both ancestoral and descendent steps into account. removing points to a node being removed, if any */ node *q, *p1, *p2; if (p && !p->tip && p != adding) { q = p; do { if (p->back != r) { if (p->numdesc > 2) { if (changing) multifillin (p, r, dnumdesc); else multifillin (p, r, 0); } else { p1 = p->next; if (!removing) while (!p1->back) p1 = p1->next; else while (!p1->back || p1->back == removing) p1 = p1->next; p2 = p1->next; if (!removing) while (!p2->back) p2 = p2->next; else while (!p2->back || p2->back == removing) p2 = p2->next; p1 = p1->back; p2 = p2->back; if (p->back == p1) p1 = NULL; else if (p->back == p2) p2 = NULL; memcpy(p->oldbase, p->base, endsite*sizeof(long)); memcpy(p->oldnumsteps, p->numsteps, endsite*sizeof(long)); fillin(p, p1, p2); } } p = p->next; } while (p != q); q = p; do { preorder(p->next->back, p->next, root, removing, adding, NULL, 0); p = p->next; } while (p->next != q); } } /* preorder */ void updatenumdesc(node *p, node *root, long n) { /* set p's numdesc to n. If p is the root, numdesc of p's descendants are set to n-1. */ node *q; q = p; if (p == root && n > 0) { p->numdesc = n; n--; q = q->next; } do { q->numdesc = n; q = q->next; } while (q != p); } /* updatenumdesc */ void add(node *below,node *newtip,node *newfork,node **root, boolean recompute,pointarray treenode,node **grbg,long *zeros) { /* inserts the nodes newfork and its left descendant, newtip, to the tree. below becomes newfork's right descendant. if newfork is NULL, newtip is added as below's sibling */ /* used in dnacomp & dnapars */ node *p; if (below != treenode[below->index - 1]) below = treenode[below->index - 1]; if (newfork) { if (below->back != NULL) below->back->back = newfork; newfork->back = below->back; below->back = newfork->next->next; newfork->next->next->back = below; newfork->next->back = newtip; newtip->back = newfork->next; if (*root == below) *root = newfork; updatenumdesc(newfork, *root, 2); } else { gnutreenode(grbg, &p, below->index, endsite, zeros); p->back = newtip; newtip->back = p; p->next = below->next; below->next = p; updatenumdesc(below, *root, below->numdesc + 1); } if (!newtip->tip) updatenumdesc(newtip, *root, newtip->numdesc); (*root)->back = NULL; if (!recompute) return; if (!newfork) { memcpy(newtip->back->base, below->base, endsite*sizeof(long)); memcpy(newtip->back->numsteps, below->numsteps, endsite*sizeof(long)); memcpy(newtip->back->numnuc, below->numnuc, endsite*sizeof(nucarray)); if (below != *root) { memcpy(below->back->oldbase, zeros, endsite*sizeof(long)); memcpy(below->back->oldnumsteps, zeros, endsite*sizeof(long)); multifillin(newtip->back, below->back, 1); } if (!newtip->tip) { memcpy(newtip->back->oldbase, zeros, endsite*sizeof(long)); memcpy(newtip->back->oldnumsteps, zeros, endsite*sizeof(long)); preorder(newtip, newtip->back, *root, NULL, NULL, below, 1); } memcpy(newtip->oldbase, zeros, endsite*sizeof(long)); memcpy(newtip->oldnumsteps, zeros, endsite*sizeof(long)); preorder(below, newtip, *root, NULL, newtip, below, 1); if (below != *root) preorder(below->back, below, *root, NULL, NULL, NULL, 0); } else { fillin(newtip->back, newtip->back->next->back, newtip->back->next->next->back); if (!newtip->tip) { memcpy(newtip->back->oldbase, zeros, endsite*sizeof(long)); memcpy(newtip->back->oldnumsteps, zeros, endsite*sizeof(long)); preorder(newtip, newtip->back, *root, NULL, NULL, newfork, 1); } if (newfork != *root) { memcpy(below->back->base, newfork->back->base, endsite*sizeof(long)); memcpy(below->back->numsteps, newfork->back->numsteps, endsite*sizeof(long)); preorder(newfork, newtip, *root, NULL, newtip, NULL, 0); } else { fillin(below->back, newtip, NULL); fillin(newfork, newtip, below); memcpy(below->back->oldbase, zeros, endsite*sizeof(long)); memcpy(below->back->oldnumsteps, zeros, endsite*sizeof(long)); preorder(below, below->back, *root, NULL, NULL, newfork, 1); } if (newfork != *root) { memcpy(newfork->oldbase, below->base, endsite*sizeof(long)); memcpy(newfork->oldnumsteps, below->numsteps, endsite*sizeof(long)); preorder(newfork->back, newfork, *root, NULL, NULL, NULL, 0); } } } /* add */ void findbelow(node **below, node *item, node *fork) { /* decide which of fork's binary children is below */ if (fork->next->back == item) *below = fork->next->next->back; else *below = fork->next->back; } /* findbelow */ void re_move(node *item, node **fork, node **root, boolean recompute, pointarray treenode, node **grbg, long *zeros) { /* removes nodes item and its ancestor, fork, from the tree. the new descendant of fork's ancestor is made to be fork's second descendant (other than item). Also returns pointers to the deleted nodes, item and fork. If item belongs to a node with more than 2 descendants, fork will not be deleted */ /* used in dnacomp & dnapars */ node *p, *q, *other = NULL, *otherback = NULL; if (item->back == NULL) { *fork = NULL; return; } *fork = treenode[item->back->index - 1]; if ((*fork)->numdesc == 2) { updatenumdesc(*fork, *root, 0); findbelow(&other, item, *fork); otherback = other->back; if (*root == *fork) { *root = other; if (!other->tip) updatenumdesc(other, *root, other->numdesc); } p = item->back->next->back; q = item->back->next->next->back; if (p != NULL) p->back = q; if (q != NULL) q->back = p; (*fork)->back = NULL; p = (*fork)->next; while (p != *fork) { p->back = NULL; p = p->next; } } else { updatenumdesc(*fork, *root, (*fork)->numdesc - 1); p = *fork; while (p->next != item->back) p = p->next; p->next = item->back->next; } if (!item->tip) { updatenumdesc(item, item, item->numdesc); if (recompute) { memcpy(item->back->oldbase, item->back->base, endsite*sizeof(long)); memcpy(item->back->oldnumsteps, item->back->numsteps, endsite*sizeof(long)); memcpy(item->back->base, zeros, endsite*sizeof(long)); memcpy(item->back->numsteps, zeros, endsite*sizeof(long)); preorder(item, item->back, *root, item->back, NULL, item, -1); } } if ((*fork)->numdesc >= 2) chucktreenode(grbg, item->back); item->back = NULL; if (!recompute) return; if ((*fork)->numdesc == 0) { memcpy(otherback->oldbase, otherback->base, endsite*sizeof(long)); memcpy(otherback->oldnumsteps, otherback->numsteps, endsite*sizeof(long)); if (other == *root) { memcpy(otherback->base, zeros, endsite*sizeof(long)); memcpy(otherback->numsteps, zeros, endsite*sizeof(long)); } else { memcpy(otherback->base, other->back->base, endsite*sizeof(long)); memcpy(otherback->numsteps, other->back->numsteps, endsite*sizeof(long)); } p = other->back; other->back = otherback; if (other == *root) preorder(other, otherback, *root, otherback, NULL, other, -1); else preorder(other, otherback, *root, NULL, NULL, NULL, 0); other->back = p; if (other != *root) { memcpy(other->oldbase,(*fork)->base, endsite*sizeof(long)); memcpy(other->oldnumsteps,(*fork)->numsteps, endsite*sizeof(long)); preorder(other->back, other, *root, NULL, NULL, NULL, 0); } } else { memcpy(item->oldbase, item->base, endsite*sizeof(long)); memcpy(item->oldnumsteps, item->numsteps, endsite*sizeof(long)); memcpy(item->base, zeros, endsite*sizeof(long)); memcpy(item->numsteps, zeros, endsite*sizeof(long)); preorder(*fork, item, *root, NULL, NULL, *fork, -1); if (*fork != *root) preorder((*fork)->back, *fork, *root, NULL, NULL, NULL, 0); memcpy(item->base, item->oldbase, endsite*sizeof(long)); memcpy(item->numsteps, item->oldnumsteps, endsite*sizeof(long)); } } /* remove */ void postorder(node *p) { /* traverses an n-ary tree, suming up steps at a node's descendants */ /* used in dnacomp, dnapars, & dnapenny */ node *q; if (p->tip) return; q = p->next; while (q != p) { postorder(q->back); q = q->next; } zeronumnuc(p, endsite); if (p->numdesc > 2) multisumnsteps2(p); else fillin(p, p->next->back, p->next->next->back); } /* postorder */ void getnufork(node **nufork,node **grbg,pointarray treenode,long *zeros) { /* find a fork not used currently */ long i; i = spp; while (treenode[i] && treenode[i]->numdesc > 0) i++; if (!treenode[i]) gnutreenode(grbg, &treenode[i], i, endsite, zeros); *nufork = treenode[i]; } /* getnufork */ void reroot(node *outgroup, node *root) { /* reorients tree, putting outgroup in desired position. used if the root is binary. */ /* used in dnacomp & dnapars */ node *p, *q; if (outgroup->back->index == root->index) return; p = root->next; q = root->next->next; p->back->back = q->back; q->back->back = p->back; p->back = outgroup; q->back = outgroup->back; outgroup->back->back = q; outgroup->back = p; } /* reroot */ void reroot2(node *outgroup, node *root) { /* reorients tree, putting outgroup in desired position. */ /* used in dnacomp & dnapars */ node *p; p = outgroup->back->next; while (p->next != outgroup->back) p = p->next; root->next = outgroup->back; p->next = root; } /* reroot2 */ void reroot3(node *outgroup, node *root, node *root2, node *lastdesc, node **grbg) { /* reorients tree, putting back outgroup in original position. */ /* used in dnacomp & dnapars */ node *p; p = root->next; while (p->next != root) p = p->next; chucktreenode(grbg, root); p->next = outgroup->back; root2->next = lastdesc->next; lastdesc->next = root2; } /* reroot3 */ void savetraverse(node *p) { /* sets BOOLEANs that indicate which way is down */ node *q; p->bottom = true; if (p->tip) return; q = p->next; while (q != p) { q->bottom = false; savetraverse(q->back); q = q->next; } } /* savetraverse */ void newindex(long i, node *p) { /* assigns index i to node p */ while (p->index != i) { p->index = i; p = p->next; } } /* newindex */ void flipindexes(long nextnode, pointarray treenode) { /* flips index of nodes between nextnode and last node. */ long last; node *temp; last = nonodes; while (treenode[last - 1]->numdesc == 0) last--; if (last > nextnode) { temp = treenode[nextnode - 1]; treenode[nextnode - 1] = treenode[last - 1]; treenode[last - 1] = temp; newindex(nextnode, treenode[nextnode - 1]); newindex(last, treenode[last - 1]); } } /* flipindexes */ boolean parentinmulti(node *anode) { /* sees if anode's parent has more than 2 children */ node *p; while (!anode->bottom) anode = anode->next; p = anode->back; while (!p->bottom) p = p->next; return (p->numdesc > 2); } /* parentinmulti */ long sibsvisited(node *anode, long *place) { /* computes the number of nodes which are visited earlier than anode among its siblings */ node *p; long nvisited; while (!anode->bottom) anode = anode->next; p = anode->back->next; nvisited = 0; do { if (!p->bottom && place[p->back->index - 1] != 0) nvisited++; p = p->next; } while (p != anode->back); return nvisited; } /* sibsvisited */ long smallest(node *anode, long *place) { /* finds the smallest index of sibling of anode */ node *p; long min; while (!anode->bottom) anode = anode->next; p = anode->back->next; if (p->bottom) p = p->next; min = nonodes; do { if (p->back && place[p->back->index - 1] != 0) { if (p->back->index <= spp) { if (p->back->index < min) min = p->back->index; } else { if (place[p->back->index - 1] < min) min = place[p->back->index - 1]; } } p = p->next; if (p->bottom) p = p->next; } while (p != anode->back); return min; } /* smallest */ void bintomulti(node **root, node **binroot, node **grbg, long *zeros) { /* attaches root's left child to its right child and makes the right child new root */ node *left, *right, *newnode, *temp; right = (*root)->next->next->back; left = (*root)->next->back; if (right->tip) { (*root)->next = right->back; (*root)->next->next = left->back; temp = left; left = right; right = temp; right->back->next = *root; } gnutreenode(grbg, &newnode, right->index, endsite, zeros); newnode->next = right->next; newnode->back = left; left->back = newnode; right->next = newnode; (*root)->next->back = (*root)->next->next->back = NULL; *binroot = *root; (*binroot)->numdesc = 0; *root = right; (*root)->numdesc++; (*root)->back = NULL; } /* bintomulti */ void backtobinary(node **root, node *binroot, node **grbg) { /* restores binary root */ node *p; binroot->next->back = (*root)->next->back; (*root)->next->back->back = binroot->next; p = (*root)->next; (*root)->next = p->next; binroot->next->next->back = *root; (*root)->back = binroot->next->next; chucktreenode(grbg, p); (*root)->numdesc--; *root = binroot; (*root)->numdesc = 2; } /* backtobinary */ boolean outgrin(node *root, node *outgrnode) { /* checks if outgroup node is a child of root */ node *p; p = root->next; while (p != root) { if (p->back == outgrnode) return true; p = p->next; } return false; } /* outgrin */ void flipnodes(node *nodea, node *nodeb) { /* flip nodes */ node *backa, *backb; backa = nodea->back; backb = nodeb->back; backa->back = nodeb; backb->back = nodea; nodea->back = backb; nodeb->back = backa; } /* flipnodes */ void moveleft(node *root, node *outgrnode, node **flipback) { /* makes outgroup node to leftmost child of root */ node *p; boolean done; p = root->next; done = false; while (p != root && !done) { if (p->back == outgrnode) { *flipback = p; flipnodes(root->next->back, p->back); done = true; } p = p->next; } } /* moveleft */ void savetree(node *root, long *place, pointarray treenode, node **grbg, long *zeros) { /* record in place where each species has to be added to reconstruct this tree */ /* used by dnacomp & dnapars */ long i, j, nextnode, nvisited; node *p, *q, *r = NULL, *root2, *lastdesc, *outgrnode, *binroot, *flipback; boolean done, newfork; binroot = NULL; lastdesc = NULL; root2 = NULL; flipback = NULL; outgrnode = treenode[outgrno - 1]; if (root->numdesc == 2) bintomulti(&root, &binroot, grbg, zeros); if (outgrin(root, outgrnode)) { if (outgrnode != root->next->back) moveleft(root, outgrnode, &flipback); } else { root2 = root; lastdesc = root->next; while (lastdesc->next != root) lastdesc = lastdesc->next; lastdesc->next = root->next; gnutreenode(grbg, &root, outgrnode->back->index, endsite, zeros); root->numdesc = root2->numdesc; reroot2(outgrnode, root); } savetraverse(root); nextnode = spp + 1; for (i = nextnode; i <= nonodes; i++) if (treenode[i - 1]->numdesc == 0) flipindexes(i, treenode); for (i = 0; i < nonodes; i++) place[i] = 0; place[root->index - 1] = 1; for (i = 1; i <= spp; i++) { p = treenode[i - 1]; while (place[p->index - 1] == 0) { place[p->index - 1] = i; while (!p->bottom) p = p->next; r = p; p = p->back; } if (i > 1) { q = treenode[i - 1]; newfork = true; nvisited = sibsvisited(q, place); if (nvisited == 0) { if (parentinmulti(r)) { nvisited = sibsvisited(r, place); if (nvisited == 0) place[i - 1] = place[p->index - 1]; else if (nvisited == 1) place[i - 1] = smallest(r, place); else { place[i - 1] = -smallest(r, place); newfork = false; } } else place[i - 1] = place[p->index - 1]; } else if (nvisited == 1) { place[i - 1] = place[p->index - 1]; } else { place[i - 1] = -smallest(q, place); newfork = false; } if (newfork) { j = place[p->index - 1]; done = false; while (!done) { place[p->index - 1] = nextnode; while (!p->bottom) p = p->next; p = p->back; done = (p == NULL); if (!done) done = (place[p->index - 1] != j); if (done) { nextnode++; } } } } } if (flipback) flipnodes(outgrnode, flipback->back); else { if (root2) { reroot3(outgrnode, root, root2, lastdesc, grbg); root = root2; } } if (binroot) backtobinary(&root, binroot, grbg); } /* savetree */ void addnsave(node *p, node *item, node *nufork, node **root, node **grbg, boolean multf, pointarray treenode, long *place, long *zeros) { /* adds item to tree and save it. Then removes item. */ node *dummy; if (!multf) add(p, item, nufork, root, false, treenode, grbg, zeros); else add(p, item, NULL, root, false, treenode, grbg, zeros); savetree(*root, place, treenode, grbg, zeros); if (!multf) re_move(item, &nufork, root, false, treenode, grbg, zeros); else re_move(item, &dummy, root, false, treenode, grbg, zeros); } /* addnsave */ void addbestever(long *pos, long *nextree, long maxtrees, boolean collapse, long *place, bestelm *bestrees) { /* adds first best tree */ *pos = 1; *nextree = 1; initbestrees(bestrees, maxtrees, true); initbestrees(bestrees, maxtrees, false); addtree(*pos, nextree, collapse, place, bestrees); } /* addbestever */ void addtiedtree(long pos, long *nextree, long maxtrees, boolean collapse, long *place, bestelm *bestrees) { /* add tied tree */ if (*nextree <= maxtrees) addtree(pos, nextree, collapse, place, bestrees); } /* addtiedtree */ void clearcollapse(pointarray treenode) { /* clears collapse status at a node */ long i; node *p; for (i = 0; i < nonodes; i++) { treenode[i]->collapse = undefined; if (!treenode[i]->tip) { p = treenode[i]->next; while (p != treenode[i]) { p->collapse = undefined; p = p->next; } } } } /* clearcollapse */ void clearbottom(pointarray treenode) { /* clears boolean bottom at a node */ long i; node *p; for (i = 0; i < nonodes; i++) { treenode[i]->bottom = false; if (!treenode[i]->tip) { p = treenode[i]->next; while (p != treenode[i]) { p->bottom = false; p = p->next; } } } } /* clearbottom */ void collabranch(node *collapfrom, node *tempfrom, node *tempto) { /* collapse branch from collapfrom */ long i, j, b, largest, descsteps; boolean done; for (i = 0; i < endsite; i++) { descsteps = 0; for (j = (long)A; j <= (long)O; j++) { b = 1 << j; if ((descsteps == 0) && (collapfrom->base[i] & b)) descsteps = tempfrom->oldnumsteps[i] - (collapfrom->numdesc - collapfrom->numnuc[i][j]) * weight[i]; } done = false; for (j = (long)A; j <= (long)O; j++) { b = 1 << j; if (!done && (tempto->base[i] & b)) { descsteps += (tempto->numsteps[i] - (tempto->numdesc - collapfrom->numdesc - tempto->numnuc[i][j]) * weight[i]); done = true; } } for (j = (long)A; j <= (long)O; j++) tempto->numnuc[i][j] += collapfrom->numnuc[i][j]; largest = getlargest(tempto->numnuc[i]); tempto->base[i] = 0; for (j = (long)A; j <= (long)O; j++) { if (tempto->numnuc[i][j] == largest) tempto->base[i] |= (1 << j); } tempto->numsteps[i] = (tempto->numdesc - largest) * weight[i] + descsteps; } } /* collabranch */ boolean allcommonbases(node *a, node *b, boolean *allsame) { /* see if bases are common at all sites for nodes a and b */ long i; boolean allcommon; allcommon = true; *allsame = true; for (i = 0; i < endsite; i++) { if ((a->base[i] & b->base[i]) == 0) allcommon = false; else if (a->base[i] != b->base[i]) *allsame = false; } return allcommon; } /* allcommonbases */ void findbottom(node *p, node **bottom) { /* find a node with field bottom set at node p */ node *q; if (p->bottom) *bottom = p; else { q = p->next; while(!q->bottom && q != p) q = q->next; *bottom = q; } } /* findbottom */ boolean moresteps(node *a, node *b) { /* see if numsteps of node a exceeds those of node b */ long i; for (i = 0; i < endsite; i++) if (a->numsteps[i] > b->numsteps[i]) return true; return false; } /* moresteps */ boolean passdown(node *desc, node *parent, node *start, node *below, node *item, node *added, node *total, node *tempdsc, node *tempprt, boolean multf) { /* track down to node start to see if an ancestor branch can be collapsed */ node *temp; boolean done, allsame; done = (parent == start); while (!done) { desc = parent; findbottom(parent->back, &parent); if (multf && start == below && parent == below) parent = added; memcpy(tempdsc->base, tempprt->base, endsite*sizeof(long)); memcpy(tempdsc->numsteps, tempprt->numsteps, endsite*sizeof(long)); memcpy(tempdsc->oldbase, desc->base, endsite*sizeof(long)); memcpy(tempdsc->oldnumsteps, desc->numsteps, endsite*sizeof(long)); memcpy(tempprt->base, parent->base, endsite*sizeof(long)); memcpy(tempprt->numsteps, parent->numsteps, endsite*sizeof(long)); memcpy(tempprt->numnuc, parent->numnuc, endsite*sizeof(nucarray)); tempprt->numdesc = parent->numdesc; multifillin(tempprt, tempdsc, 0); if (!allcommonbases(tempprt, parent, &allsame)) return false; else if (moresteps(tempprt, parent)) return false; else if (allsame) return true; if (parent == added) parent = below; done = (parent == start); if (done && ((start == item) || (!multf && start == below))) { memcpy(tempdsc->base, tempprt->base, endsite*sizeof(long)); memcpy(tempdsc->numsteps, tempprt->numsteps, endsite*sizeof(long)); memcpy(tempdsc->oldbase, start->base, endsite*sizeof(long)); memcpy(tempdsc->oldnumsteps, start->numsteps, endsite*sizeof(long)); multifillin(added, tempdsc, 0); tempprt = added; } } temp = tempdsc; if (start == below || start == item) fillin(temp, tempprt, below->back); else fillin(temp, tempprt, added); return !moresteps(temp, total); } /* passdown */ boolean trycollapdesc(node *desc, node *parent, node *start, node *below, node *item, node *added, node *total, node *tempdsc, node *tempprt, boolean multf, long *zeros) { /* see if branch between nodes desc and parent can be collapsed */ boolean allsame; if (desc->numdesc == 1) return true; if (multf && start == below && parent == below) parent = added; memcpy(tempdsc->base, zeros, endsite*sizeof(long)); memcpy(tempdsc->numsteps, zeros, endsite*sizeof(long)); memcpy(tempdsc->oldbase, desc->base, endsite*sizeof(long)); memcpy(tempdsc->oldnumsteps, desc->numsteps, endsite*sizeof(long)); memcpy(tempprt->base, parent->base, endsite*sizeof(long)); memcpy(tempprt->numsteps, parent->numsteps, endsite*sizeof(long)); memcpy(tempprt->numnuc, parent->numnuc, endsite*sizeof(nucarray)); tempprt->numdesc = parent->numdesc - 1; multifillin(tempprt, tempdsc, -1); tempprt->numdesc += desc->numdesc; collabranch(desc, tempdsc, tempprt); if (!allcommonbases(tempprt, parent, &allsame) || moresteps(tempprt, parent)) { if (parent != added) { desc->collapse = nocollap; parent->collapse = nocollap; } return false; } else if (allsame) { if (parent != added) { desc->collapse = tocollap; parent->collapse = tocollap; } return true; } if (parent == added) parent = below; if ((start == item && parent == item) || (!multf && start == below && parent == below)) { memcpy(tempdsc->base, tempprt->base, endsite*sizeof(long)); memcpy(tempdsc->numsteps, tempprt->numsteps, endsite*sizeof(long)); memcpy(tempdsc->oldbase, start->base, endsite*sizeof(long)); memcpy(tempdsc->oldnumsteps, start->numsteps, endsite*sizeof(long)); memcpy(tempprt->base, added->base, endsite*sizeof(long)); memcpy(tempprt->numsteps, added->numsteps, endsite*sizeof(long)); memcpy(tempprt->numnuc, added->numnuc, endsite*sizeof(nucarray)); tempprt->numdesc = added->numdesc; multifillin(tempprt, tempdsc, 0); if (!allcommonbases(tempprt, added, &allsame)) return false; else if (moresteps(tempprt, added)) return false; else if (allsame) return true; } return passdown(desc, parent, start, below, item, added, total, tempdsc, tempprt, multf); } /* trycollapdesc */ void setbottom(node *p) { /* set field bottom at node p */ node *q; p->bottom = true; q = p->next; do { q->bottom = false; q = q->next; } while (q != p); } /* setbottom */ boolean zeroinsubtree(node *subtree, node *start, node *below, node *item, node *added, node *total, node *tempdsc, node *tempprt, boolean multf, node* root, long *zeros) { /* sees if subtree contains a zero length branch */ node *p; if (!subtree->tip) { setbottom(subtree); p = subtree->next; do { if (p->back && !p->back->tip && !((p->back->collapse == nocollap) && (subtree->collapse == nocollap)) && (subtree->numdesc != 1)) { if ((p->back->collapse == tocollap) && (subtree->collapse == tocollap) && multf && (subtree != below)) return true; /* when root->numdesc == 2 * there is no mandatory step at the root, * instead of checking at the root we check around it * we only need to check p because the first if * statement already gets rid of it for the subtree */ else if ((p->back->index != root->index || root->numdesc > 2) && trycollapdesc(p->back, subtree, start, below, item, added, total, tempdsc, tempprt, multf, zeros)) return true; else if ((p->back->index == root->index && root->numdesc == 2) && !(root->next->back->tip) && !(root->next->next->back->tip) && trycollapdesc(root->next->back, root->next->next->back, start, below, item,added, total, tempdsc, tempprt, multf, zeros)) return true; } p = p->next; } while (p != subtree); p = subtree->next; do { if (p->back && !p->back->tip) { if (zeroinsubtree(p->back, start, below, item, added, total, tempdsc, tempprt, multf, root, zeros)) return true; } p = p->next; } while (p != subtree); } return false; } /* zeroinsubtree */ boolean collapsible(node *item, node *below, node *temp, node *temp1, node *tempdsc, node *tempprt, node *added, node *total, boolean multf, node *root, long *zeros, pointarray treenode) { /* sees if any branch can be collapsed */ node *belowbk; boolean allsame; if (multf) { memcpy(tempdsc->base, item->base, endsite*sizeof(long)); memcpy(tempdsc->numsteps, item->numsteps, endsite*sizeof(long)); memcpy(tempdsc->oldbase, zeros, endsite*sizeof(long)); memcpy(tempdsc->oldnumsteps, zeros, endsite*sizeof(long)); memcpy(added->base, below->base, endsite*sizeof(long)); memcpy(added->numsteps, below->numsteps, endsite*sizeof(long)); memcpy(added->numnuc, below->numnuc, endsite*sizeof(nucarray)); added->numdesc = below->numdesc + 1; multifillin(added, tempdsc, 1); } else { fillin(added, item, below); added->numdesc = 2; } fillin(total, added, below->back); clearbottom(treenode); if (below->back) { if (zeroinsubtree(below->back, below->back, below, item, added, total, tempdsc, tempprt, multf, root, zeros)) return true; } if (multf) { if (zeroinsubtree(below, below, below, item, added, total, tempdsc, tempprt, multf, root, zeros)) return true; } else if (!below->tip) { if (zeroinsubtree(below, below, below, item, added, total, tempdsc, tempprt, multf, root, zeros)) return true; } if (!item->tip) { if (zeroinsubtree(item, item, below, item, added, total, tempdsc, tempprt, multf, root, zeros)) return true; } if (multf && below->back && !below->back->tip) { memcpy(tempdsc->base, zeros, endsite*sizeof(long)); memcpy(tempdsc->numsteps, zeros, endsite*sizeof(long)); memcpy(tempdsc->oldbase, added->base, endsite*sizeof(long)); memcpy(tempdsc->oldnumsteps, added->numsteps, endsite*sizeof(long)); if (below->back == treenode[below->back->index - 1]) belowbk = below->back->next; else belowbk = treenode[below->back->index - 1]; memcpy(tempprt->base, belowbk->base, endsite*sizeof(long)); memcpy(tempprt->numsteps, belowbk->numsteps, endsite*sizeof(long)); memcpy(tempprt->numnuc, belowbk->numnuc, endsite*sizeof(nucarray)); tempprt->numdesc = belowbk->numdesc - 1; multifillin(tempprt, tempdsc, -1); tempprt->numdesc += added->numdesc; collabranch(added, tempdsc, tempprt); if (!allcommonbases(tempprt, belowbk, &allsame)) return false; else if (allsame && !moresteps(tempprt, belowbk)) return true; else if (belowbk->back) { fillin(temp, tempprt, belowbk->back); fillin(temp1, belowbk, belowbk->back); return !moresteps(temp, temp1); } } return false; } /* collapsible */ void replaceback(node **oldback, node *item, node *forknode, node **grbg, long *zeros) { /* replaces back node of item with another */ node *p; p = forknode; while (p->next->back != item) p = p->next; *oldback = p->next; gnutreenode(grbg, &p->next, forknode->index, endsite, zeros); p->next->next = (*oldback)->next; p->next->back = (*oldback)->back; p->next->back->back = p->next; (*oldback)->next = (*oldback)->back = NULL; } /* replaceback */ void putback(node *oldback, node *item, node *forknode, node **grbg) { /* restores node to back of item */ node *p, *q; p = forknode; while (p->next != item->back) p = p->next; q = p->next; oldback->next = p->next->next; p->next = oldback; oldback->back = item; item->back = oldback; oldback->index = forknode->index; chucktreenode(grbg, q); } /* putback */ void savelocrearr(node *item, node *forknode, node *below, node *tmp, node *tmp1, node *tmp2, node *tmp3, node *tmprm, node *tmpadd, node **root, long maxtrees, long *nextree, boolean multf, boolean bestever, boolean *saved, long *place, bestelm *bestrees, pointarray treenode, node **grbg, long *zeros) { /* saves tied or better trees during local rearrangements by removing item from forknode and adding to below */ node *other, *otherback = NULL, *oldfork, *nufork, *oldback; long pos; boolean found, collapse; if (forknode->numdesc == 2) { findbelow(&other, item, forknode); otherback = other->back; oldback = NULL; } else { other = NULL; replaceback(&oldback, item, forknode, grbg, zeros); } re_move(item, &oldfork, root, false, treenode, grbg, zeros); if (!multf) getnufork(&nufork, grbg, treenode, zeros); else nufork = NULL; addnsave(below, item, nufork, root, grbg, multf, treenode, place, zeros); pos = 0; findtree(&found, &pos, *nextree, place, bestrees); if (other) { add(other, item, oldfork, root, false, treenode, grbg, zeros); if (otherback->back != other) flipnodes(item, other); } else add(forknode, item, NULL, root, false, treenode, grbg, zeros); *saved = false; if (found) { if (oldback) putback(oldback, item, forknode, grbg); } else { if (oldback) chucktreenode(grbg, oldback); re_move(item, &oldfork, root, true, treenode, grbg, zeros); collapse = collapsible(item, below, tmp, tmp1, tmp2, tmp3, tmprm, tmpadd, multf, *root, zeros, treenode); if (!collapse) { if (bestever) addbestever(&pos, nextree, maxtrees, collapse, place, bestrees); else addtiedtree(pos, nextree, maxtrees, collapse, place, bestrees); } if (other) add(other, item, oldfork, root, true, treenode, grbg, zeros); else add(forknode, item, NULL, root, true, treenode, grbg, zeros); *saved = !collapse; } } /* savelocrearr */ void clearvisited(pointarray treenode) { /* clears boolean visited at a node */ long i; node *p; for (i = 0; i < nonodes; i++) { treenode[i]->visited = false; if (!treenode[i]->tip) { p = treenode[i]->next; while (p != treenode[i]) { p->visited = false; p = p->next; } } } } /* clearvisited */ void hyprint(long b1, long b2, struct LOC_hyptrav *htrav, pointarray treenode, Char *basechar) { /* print out states in sites b1 through b2 at node */ long i, j, k, n; boolean dot; bases b; if (htrav->bottom) { if (!outgropt) fprintf(outfile, " "); else fprintf(outfile, "root "); } else fprintf(outfile, "%4ld ", htrav->r->back->index - spp); if (htrav->r->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[htrav->r->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", htrav->r->index - spp); if (htrav->bottom) fprintf(outfile, " "); else if (htrav->nonzero) fprintf(outfile, " yes "); else if (htrav->maybe) fprintf(outfile, " maybe "); else fprintf(outfile, " no "); for (i = b1; i <= b2; i++) { j = location[ally[i - 1] - 1]; htrav->tempset = htrav->r->base[j - 1]; htrav->anc = htrav->hypset[j - 1]; if (!htrav->bottom) htrav->anc = treenode[htrav->r->back->index - 1]->base[j - 1]; dot = dotdiff && (htrav->tempset == htrav->anc && !htrav->bottom); if (dot) putc('.', outfile); else if (htrav->tempset == (1 << A)) putc('A', outfile); else if (htrav->tempset == (1 << C)) putc('C', outfile); else if (htrav->tempset == (1 << G)) putc('G', outfile); else if (htrav->tempset == (1 << T)) putc('T', outfile); else if (htrav->tempset == (1 << O)) putc('-', outfile); else { k = 1; n = 0; for (b = A; b <= O; b = b + 1) { if (((1 << b) & htrav->tempset) != 0) n += k; k += k; } putc(basechar[n - 1], outfile); } if (i % 10 == 0) putc(' ', outfile); } putc('\n', outfile); } /* hyprint */ void gnubase(gbases **p, gbases **garbage, long endsite) { /* this and the following are do-it-yourself garbage collectors. Make a new node or pull one off the garbage list */ if (*garbage != NULL) { *p = *garbage; *garbage = (*garbage)->next; } else { *p = (gbases *)Malloc(sizeof(gbases)); (*p)->base = (baseptr)Malloc(endsite*sizeof(long)); } (*p)->next = NULL; } /* gnubase */ void chuckbase(gbases *p, gbases **garbage) { /* collect garbage on p -- put it on front of garbage list */ p->next = *garbage; *garbage = p; } /* chuckbase */ void hyptrav(node *r_, long *hypset_, long b1, long b2, boolean bottom_, pointarray treenode, gbases **garbage, Char *basechar) { /* compute, print out states at one interior node */ struct LOC_hyptrav Vars; long i, j, k; long largest; gbases *ancset; nucarray *tempnuc; node *p, *q; Vars.bottom = bottom_; Vars.r = r_; Vars.hypset = hypset_; gnubase(&ancset, garbage, endsite); tempnuc = (nucarray *)Malloc(endsite*sizeof(nucarray)); Vars.maybe = false; Vars.nonzero = false; if (!Vars.r->tip) zeronumnuc(Vars.r, endsite); for (i = b1 - 1; i < b2; i++) { j = location[ally[i] - 1]; Vars.anc = Vars.hypset[j - 1]; if (!Vars.r->tip) { p = Vars.r->next; for (k = (long)A; k <= (long)O; k++) if (Vars.anc & (1 << k)) Vars.r->numnuc[j - 1][k]++; do { for (k = (long)A; k <= (long)O; k++) if (p->back->base[j - 1] & (1 << k)) Vars.r->numnuc[j - 1][k]++; p = p->next; } while (p != Vars.r); largest = getlargest(Vars.r->numnuc[j - 1]); Vars.tempset = 0; for (k = (long)A; k <= (long)O; k++) { if (Vars.r->numnuc[j - 1][k] == largest) Vars.tempset |= (1 << k); } Vars.r->base[j - 1] = Vars.tempset; } if (!Vars.bottom) Vars.anc = treenode[Vars.r->back->index - 1]->base[j - 1]; Vars.nonzero = (Vars.nonzero || (Vars.r->base[j - 1] & Vars.anc) == 0); Vars.maybe = (Vars.maybe || Vars.r->base[j - 1] != Vars.anc); } hyprint(b1, b2, &Vars, treenode, basechar); Vars.bottom = false; if (!Vars.r->tip) { memcpy(tempnuc, Vars.r->numnuc, endsite*sizeof(nucarray)); q = Vars.r->next; do { memcpy(Vars.r->numnuc, tempnuc, endsite*sizeof(nucarray)); for (i = b1 - 1; i < b2; i++) { j = location[ally[i] - 1]; for (k = (long)A; k <= (long)O; k++) if (q->back->base[j - 1] & (1 << k)) Vars.r->numnuc[j - 1][k]--; largest = getlargest(Vars.r->numnuc[j - 1]); ancset->base[j - 1] = 0; for (k = (long)A; k <= (long)O; k++) if (Vars.r->numnuc[j - 1][k] == largest) ancset->base[j - 1] |= (1 << k); if (!Vars.bottom) Vars.anc = ancset->base[j - 1]; } hyptrav(q->back, ancset->base, b1, b2, Vars.bottom, treenode, garbage, basechar); q = q->next; } while (q != Vars.r); } chuckbase(ancset, garbage); } /* hyptrav */ void hypstates(long chars, node *root, pointarray treenode, gbases **garbage, Char *basechar) { /* fill in and describe states at interior nodes */ /* used in dnacomp, dnapars, & dnapenny */ long i, n; baseptr nothing; fprintf(outfile, "\nFrom To Any Steps? State at upper node\n"); fprintf(outfile, " "); if (dotdiff) fprintf(outfile, " ( . means same as in the node below it on tree)\n"); nothing = (baseptr)Malloc(endsite*sizeof(long)); for (i = 0; i < endsite; i++) nothing[i] = 0; for (i = 1; i <= ((chars - 1) / 40 + 1); i++) { putc('\n', outfile); n = i * 40; if (n > chars) n = chars; hyptrav(root, nothing, i * 40 - 39, n, true, treenode, garbage, basechar); } free(nothing); } /* hypstates */ void initbranchlen(node *p) { node *q; p->v = 0.0; if (p->back) p->back->v = 0.0; if (p->tip) return; q = p->next; while (q != p) { initbranchlen(q->back); q = q->next; } q = p->next; while (q != p) { q->v = 0.0; q = q->next; } } /* initbranchlen */ void initmin(node *p, long sitei, boolean internal) { long i; if (internal) { for (i = (long)A; i <= (long)O; i++) { p->cumlengths[i] = 0; p->numreconst[i] = 1; } } else { for (i = (long)A; i <= (long)O; i++) { if (p->base[sitei - 1] & (1 << i)) { p->cumlengths[i] = 0; p->numreconst[i] = 1; } else { p->cumlengths[i] = -1; p->numreconst[i] = 0; } } } } /* initmin */ void initbase(node *p, long sitei) { /* traverse tree to initialize base at internal nodes */ node *q; long i, largest; if (p->tip) return; q = p->next; while (q != p) { if (q->back) { memcpy(q->numnuc, p->numnuc, endsite*sizeof(nucarray)); for (i = (long)A; i <= (long)O; i++) { if (q->back->base[sitei - 1] & (1 << i)) q->numnuc[sitei - 1][i]--; } if (p->back) { for (i = (long)A; i <= (long)O; i++) { if (p->back->base[sitei - 1] & (1 << i)) q->numnuc[sitei - 1][i]++; } } largest = getlargest(q->numnuc[sitei - 1]); q->base[sitei - 1] = 0; for (i = (long)A; i <= (long)O; i++) { if (q->numnuc[sitei - 1][i] == largest) q->base[sitei - 1] |= (1 << i); } } q = q->next; } q = p->next; while (q != p) { initbase(q->back, sitei); q = q->next; } } /* initbase */ void inittreetrav(node *p, long sitei) { /* traverse tree to clear boolean initialized and set up base */ node *q; if (p->tip) { initmin(p, sitei, false); p->initialized = true; return; } q = p->next; while (q != p) { inittreetrav(q->back, sitei); q = q->next; } initmin(p, sitei, true); p->initialized = false; q = p->next; while (q != p) { initmin(q, sitei, true); q->initialized = false; q = q->next; } } /* inittreetrav */ void compmin(node *p, node *desc) { /* computes minimum lengths up to p */ long i, j, minn, cost, desclen, descrecon=0, maxx; maxx = 10 * spp; for (i = (long)A; i <= (long)O; i++) { minn = maxx; for (j = (long)A; j <= (long)O; j++) { if (transvp) { if ( ( ((i == (long)A) || (i == (long)G)) && ((j == (long)A) || (j == (long)G)) ) || ( ((j == (long)C) || (j == (long)T)) && ((i == (long)C) || (i == (long)T)) ) ) cost = 0; else cost = 1; } else { if (i == j) cost = 0; else cost = 1; } if (desc->cumlengths[j] == -1) { desclen = maxx; } else { desclen = desc->cumlengths[j]; } if (minn > cost + desclen) { minn = cost + desclen; descrecon = 0; } if (minn == cost + desclen) { descrecon += desc->numreconst[j]; } } p->cumlengths[i] += minn; p->numreconst[i] *= descrecon; } p->initialized = true; } /* compmin */ void minpostorder(node *p, pointarray treenode) { /* traverses an n-ary tree, computing minimum steps at each node */ node *q; if (p->tip) { return; } q = p->next; while (q != p) { if (q->back) minpostorder(q->back, treenode); q = q->next; } if (!p->initialized) { q = p->next; while (q != p) { if (q->back) compmin(p, q->back); q = q->next; } } } /* minpostorder */ void branchlength(node *subtr1, node *subtr2, double *brlen, pointarray treenode) { /* computes a branch length between two subtrees for a given site */ long i, j, minn, cost, nom, denom; node *temp; if (subtr1->tip) { temp = subtr1; subtr1 = subtr2; subtr2 = temp; } if (subtr1->index == outgrno) { temp = subtr1; subtr1 = subtr2; subtr2 = temp; } minpostorder(subtr1, treenode); minpostorder(subtr2, treenode); minn = 10 * spp; nom = 0; denom = 0; for (i = (long)A; i <= (long)O; i++) { for (j = (long)A; j <= (long)O; j++) { if (transvp) { if ( ( ((i == (long)A) || (i == (long)G)) && ((j == (long)A) || (j == (long)G)) ) || ( ((j == (long)C) || (j == (long)T)) && ((i == (long)C) || (i == (long)T)) ) ) cost = 0; else cost = 1; } else { if (i == j) cost = 0; else cost = 1; } if (subtr1->cumlengths[i] != -1 && (subtr2->cumlengths[j] != -1)) { if (subtr1->cumlengths[i] + cost + subtr2->cumlengths[j] < minn) { minn = subtr1->cumlengths[i] + cost + subtr2->cumlengths[j]; nom = 0; denom = 0; } if (subtr1->cumlengths[i] + cost + subtr2->cumlengths[j] == minn) { nom += subtr1->numreconst[i] * subtr2->numreconst[j] * cost; denom += subtr1->numreconst[i] * subtr2->numreconst[j]; } } } } *brlen = (double)nom/(double)denom; } /* branchlength */ void printbranchlengths(node *p) { node *q; long i; if (p->tip) return; q = p->next; do { fprintf(outfile, "%6ld ",q->index - spp); if (q->back->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[q->back->index - 1][i], outfile); } else fprintf(outfile, "%6ld ", q->back->index - spp); fprintf(outfile, " %f\n",q->v); if (q->back) printbranchlengths(q->back); q = q->next; } while (q != p); } /* printbranchlengths */ void branchlentrav(node *p, node *root, long sitei, long chars, double *brlen, pointarray treenode) { /* traverses the tree computing tree length at each branch */ node *q; if (p->tip) return; if (p->index == outgrno) p = p->back; q = p->next; do { if (q->back) { branchlength(q, q->back, brlen, treenode); q->v += ((weight[sitei - 1] / 10.0) * (*brlen)/chars); q->back->v += ((weight[sitei - 1] / 10.0) * (*brlen)/chars); if (!q->back->tip) branchlentrav(q->back, root, sitei, chars, brlen, treenode); } q = q->next; } while (q != p); } /* branchlentrav */ void treelength(node *root, long chars, pointarray treenode) { /* calls branchlentrav at each site */ long sitei; double trlen; initbranchlen(root); for (sitei = 1; sitei <= endsite; sitei++) { trlen = 0.0; initbase(root, sitei); inittreetrav(root, sitei); branchlentrav(root, root, sitei, chars, &trlen, treenode); } } /* treelength */ void coordinates(node *p, long *tipy, double f, long *fartemp) { /* establishes coordinates of nodes for display without lengths */ node *q, *first, *last; node *mid1 = NULL, *mid2 = NULL; long numbranches, numb2; if (p->tip) { p->xcoord = 0; p->ycoord = *tipy; p->ymin = *tipy; p->ymax = *tipy; (*tipy) += down; return; } numbranches = 0; q = p->next; do { coordinates(q->back, tipy, f, fartemp); numbranches += 1; q = q->next; } while (p != q); first = p->next->back; q = p->next; while (q->next != p) q = q->next; last = q->back; numb2 = 1; q = p->next; while (q != p) { if (numb2 == (long)(numbranches + 1)/2) mid1 = q->back; if (numb2 == (long)(numbranches/2 + 1)) mid2 = q->back; numb2 += 1; q = q->next; } p->xcoord = (long)((double)(last->ymax - first->ymin) * f); p->ycoord = (long)((mid1->ycoord + mid2->ycoord) / 2); p->ymin = first->ymin; p->ymax = last->ymax; if (p->xcoord > *fartemp) *fartemp = p->xcoord; } /* coordinates */ void drawline(long i, double scale, node *root) { /* draws one row of the tree diagram by moving up tree */ node *p, *q, *r, *first =NULL, *last =NULL; long n, j; boolean extra, done, noplus; p = root; q = root; extra = false; noplus = false; if (i == (long)p->ycoord && p == root) { if (p->index - spp >= 10) fprintf(outfile, " %2ld", p->index - spp); else fprintf(outfile, " %ld", p->index - spp); extra = true; noplus = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)(scale * (p->xcoord - q->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if (noplus) { putc('-', outfile); noplus = false; } else putc('+', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; noplus = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && i != (long)p->ycoord) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } noplus = false; } else { for (j = 1; j <= n; j++) putc(' ', outfile); noplus = false; } if (p != q) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* drawline */ void printree(node *root, double f) { /* prints out diagram of the tree */ /* used in dnacomp, dnapars, & dnapenny */ long i, tipy, dummy; double scale; putc('\n', outfile); if (!treeprint) return; putc('\n', outfile); tipy = 1; dummy = 0; coordinates(root, &tipy, f, &dummy); scale = 1.5; putc('\n', outfile); for (i = 1; i <= (tipy - down); i++) drawline(i, scale, root); fprintf(outfile, "\n remember:"); if (outgropt) fprintf(outfile, " (although rooted by outgroup)"); fprintf(outfile, " this is an unrooted tree!\n\n"); } /* printree */ void writesteps(long chars,boolean weights,steptr oldweight,node *root) { /* used in dnacomp, dnapars, & dnapenny */ long i, j, k, l; putc('\n', outfile); if (weights) fprintf(outfile, "weighted "); fprintf(outfile, "steps in each site:\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%4ld", i); fprintf(outfile, "\n *------------------------------------"); fprintf(outfile, "-----\n"); for (i = 0; i <= (chars / 10); i++) { fprintf(outfile, "%5ld", i * 10); putc('|', outfile); for (j = 0; j <= 9; j++) { k = i * 10 + j; if (k == 0 || k > chars) fprintf(outfile, " "); else { l = location[ally[k - 1] - 1]; if (oldweight[k - 1] > 0) fprintf(outfile, "%4ld", oldweight[k - 1] * (root->numsteps[l - 1] / weight[l - 1])); else fprintf(outfile, " 0"); } } putc('\n', outfile); } } /* writesteps */ void treeout(node *p, long nextree, long *col, node *root) { /* write out file with representation of final tree */ /* used in dnacomp, dnamove, dnapars, & dnapenny */ node *q; long i, n; Char c; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { putc('(', outtree); (*col)++; q = p->next; while (q != p) { treeout(q->back, nextree, col, root); q = q->next; if (q == p) break; putc(',', outtree); (*col)++; if (*col > 60) { putc('\n', outtree); *col = 0; } } putc(')', outtree); (*col)++; } if (p != root) return; if (nextree > 2) fprintf(outtree, "[%6.4f];\n", 1.0 / (nextree - 1)); else fprintf(outtree, ";\n"); } /* treeout */ void treeout3(node *p, long nextree, long *col, node *root) { /* write out file with representation of final tree */ /* used in dnapars -- writes branch lengths */ node *q; long i, n, w; double x; Char c; if (p->tip) { n = 0; for (i = 1; i <= nmlngth; i++) { if (nayme[p->index - 1][i - 1] != ' ') n = i; } for (i = 0; i < n; i++) { c = nayme[p->index - 1][i]; if (c == ' ') c = '_'; putc(c, outtree); } *col += n; } else { putc('(', outtree); (*col)++; q = p->next; while (q != p) { treeout3(q->back, nextree, col, root); q = q->next; if (q == p) break; putc(',', outtree); (*col)++; if (*col > 60) { putc('\n', outtree); *col = 0; } } putc(')', outtree); (*col)++; } x = p->v; if (x > 0.0) w = (long)(0.43429448222 * log(x)); else if (x == 0.0) w = 0; else w = (long)(0.43429448222 * log(-x)) + 1; if (w < 0) w = 0; if (p != root) { fprintf(outtree, ":%*.5f", (int)(w + 7), x); *col += w + 8; } if (p != root) return; if (nextree > 2) fprintf(outtree, "[%6.4f];\n", 1.0 / (nextree - 1)); else fprintf(outtree, ";\n"); } /* treeout3 */ void drawline2(long i, double scale, tree curtree) { /* draws one row of the tree diagram by moving up tree */ /* used in dnaml & restml */ node *p, *q; long n, j; boolean extra; node *r, *first =NULL, *last =NULL; boolean done; p = curtree.start; q = curtree.start; extra = false; if (i == (long)p->ycoord && p == curtree.start) { /* debug why 2nd clause? */ if (p->index - spp >= 10) fprintf(outfile, " %2ld", p->index - spp); else fprintf(outfile, " %ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || (p != curtree.start && r == p) || (p == curtree.start && r == p->next))); first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; if (p == curtree.start) last = p->back; } done = (p->tip || p == q); n = (long)(scale * (q->xcoord - p->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if ((long)p->ycoord != (long)q->ycoord) putc('+', outfile); else putc('-', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && (i != (long)p->ycoord || p == curtree.start)) { putc('|', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (q != p) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index-1][j], outfile); } putc('\n', outfile); } /* drawline2 */ void drawline3(long i, double scale, node *start) { /* draws one row of the tree diagram by moving up tree */ /* used in dnapars */ node *p, *q; long n, j; boolean extra; node *r, *first =NULL, *last =NULL; boolean done; p = start; q = start; extra = false; if (i == (long)p->ycoord) { if (p->index - spp >= 10) fprintf(outfile, " %2ld", p->index - spp); else fprintf(outfile, " %ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || (r == p))); first = p->next->back; r = p; while (r->next != p) r = r->next; last = r->back; } done = (p->tip || p == q); n = (long)(scale * (q->xcoord - p->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if ((long)q->ycoord == i && !done) { if ((long)p->ycoord != (long)q->ycoord) putc('+', outfile); else putc('-', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if ((long)last->ycoord > i && (long)first->ycoord < i && (i != (long)p->ycoord || p == start)) { putc('|', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (q != p) p = q; } while (!done); if ((long)p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index-1][j], outfile); } putc('\n', outfile); } /* drawline3 */ void copynode(node *c, node *d, long categs) { long i, j; for (i = 0; i < endsite; i++) for (j = 0; j < categs; j++) memcpy(d->x[i][j], c->x[i][j], sizeof(sitelike)); d->tyme = c->tyme; d->v = c->v; d->xcoord = c->xcoord; d->ycoord = c->ycoord; d->ymin = c->ymin; d->ymax = c->ymax; d->iter = c->iter; /* iter used in dnaml only */ d->haslength = c->haslength; /* haslength used in dnamlk only */ d->initialized = c->initialized; /* initialized used in dnamlk only */ } /* copynode */ void prot_copynode(node *c, node *d, long categs) { /* a version of copynode for proml */ long i, j; for (i = 0; i < endsite; i++) for (j = 0; j < categs; j++) memcpy(d->protx[i][j], c->protx[i][j], sizeof(psitelike)); d->tyme = c->tyme; d->v = c->v; d->xcoord = c->xcoord; d->ycoord = c->ycoord; d->ymin = c->ymin; d->ymax = c->ymax; d->iter = c->iter; /* iter used in dnaml only */ d->haslength = c->haslength; /* haslength used in dnamlk only */ d->initialized = c->initialized; /* initialized used in dnamlk only */ } /* prot_copynode */ void copy_(tree *a, tree *b, long nonodes, long categs) { /* used in dnamlk */ long i; node *p, *q, *r, *s, *t; for (i = 0; i < spp; i++) { copynode(a->nodep[i], b->nodep[i], categs); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes; i++) { if (a->nodep[i]) { p = a->nodep[i]; q = b->nodep[i]; r = p; do { copynode(p, q, categs); if (p->back) { s = a->nodep[p->back->index - 1]; t = b->nodep[p->back->index - 1]; if (s->tip) { if(p->back == s) q->back = t; } else { do { if (p->back == s) q->back = t; s = s->next; t = t->next; } while (s != a->nodep[p->back->index - 1]); } } else q->back = NULL; p = p->next; q = q->next; } while (p != r); } } b->likelihood = a->likelihood; b->start = a->start; /* start used in dnaml only */ b->root = a->root; /* root used in dnamlk only */ } /* copy_ */ void prot_copy_(tree *a, tree *b, long nonodes, long categs) { /* used in promlk */ /* identical to copy_() except for calls to prot_copynode rather */ /* than copynode. */ long i; node *p, *q, *r, *s, *t; for (i = 0; i < spp; i++) { prot_copynode(a->nodep[i], b->nodep[i], categs); if (a->nodep[i]->back) { if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]; else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next ) b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next; else b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next; } else b->nodep[i]->back = NULL; } for (i = spp; i < nonodes; i++) { if (a->nodep[i]) { p = a->nodep[i]; q = b->nodep[i]; r = p; do { prot_copynode(p, q, categs); if (p->back) { s = a->nodep[p->back->index - 1]; t = b->nodep[p->back->index - 1]; if (s->tip) { if(p->back == s) q->back = t; } else { do { if (p->back == s) q->back = t; s = s->next; t = t->next; } while (s != a->nodep[p->back->index - 1]); } } else q->back = NULL; p = p->next; q = q->next; } while (p != r); } } b->likelihood = a->likelihood; b->start = a->start; /* start used in dnaml only */ b->root = a->root; /* root used in dnamlk only */ } /* prot_copy_ */ void standev(long chars, long numtrees, long minwhich, double minsteps, double *nsteps, long **fsteps, longer seed) { /* compute and write standard deviation of user trees */ /* used in dnapars & protpars */ long i, j, k; double wt, sumw, sum, sum2, sd; double temp; double **covar, *P, *f; #define SAMPLES 1000 #define MAXSHIMOTREES 1000 /* ????? if numtrees too big for Shimo, truncate */ if (numtrees == 2) { fprintf(outfile, "Kishino-Hasegawa-Templeton test\n\n"); fprintf(outfile, "Tree Steps Diff Steps Its S.D."); fprintf(outfile, " Significantly worse?\n\n"); which = 1; while (which <= numtrees) { fprintf(outfile, "%3ld%10.1f", which, nsteps[which - 1] / 10); if (minwhich == which) fprintf(outfile, " <------ best\n"); else { sumw = 0.0; sum = 0.0; sum2 = 0.0; for (i = 0; i < chars; i++) { if (weight[i] > 0) { wt = weight[i] / 10.0; sumw += wt; temp = (fsteps[which - 1][i] - fsteps[minwhich - 1][i]) / 10.0; sum += temp; sum2 += temp * temp / wt; } } temp = sum / sumw; sd = sqrt(sumw / (sumw - 1.0) * (sum2 - temp * temp)); fprintf(outfile, "%10.1f%12.4f", (nsteps[which - 1] - minsteps) / 10, sd); if (sum > 1.95996 * sd) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } which++; } fprintf(outfile, "\n\n"); } else { /* Shimodaira-Hasegawa test using normal approximation */ fprintf(outfile, "Shimodaira-Hasegawa test\n\n"); covar = (double **)Malloc(numtrees*sizeof(double *)); sumw = 0.0; for (i = 0; i < chars; i++) sumw += weight[i]; for (i = 0; i < numtrees; i++) covar[i] = (double *)Malloc(numtrees*sizeof(double)); for (i = 0; i < numtrees; i++) { /* compute covariances of trees */ sum = nsteps[i]/(10.0*sumw); for (j = 0; j <=i; j++) { sum2 = nsteps[j]/(10.0*sumw); temp = 0.0; for (k = 0; k < chars; k++) { if (weight[k] > 0) { wt = weight[k]/10.0; temp = temp + wt*(fsteps[i][k]/(10.0*wt)-sum) *(fsteps[j][k]/(10.0*wt)-sum2); } } covar[i][j] = temp; if (i != j) covar[j][i] = temp; } } for (i = 0; i < numtrees; i++) { /* in-place Cholesky decomposition of trees x trees covariance matrix */ sum = 0.0; for (j = 0; j <= i-1; j++) sum = sum + covar[i][j] * covar[i][j]; temp = sqrt(covar[i][i] - sum); covar[i][i] = temp; for (j = i+1; j < numtrees; j++) { sum = 0.0; for (k = 0; k < i; k++) sum = sum + covar[i][k] * covar[j][k]; if (fabs(temp) < 1.0E-12) covar[j][i] = 0.0; else covar[j][i] = (covar[j][i] - sum)/temp; } } f = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ P = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ for (i = 0; i < numtrees; i++) P[i] = 0.0; sum2 = nsteps[0]/10.0; /* sum2 will be smallest # of steps */ for (i = 1; i < numtrees; i++) if (sum2 > nsteps[i]/10.0) sum2 = nsteps[i]/10.0; for (i = 1; i < SAMPLES; i++) { /* loop over resampled trees */ for (j = 0; j < numtrees; j++) { /* draw vectors */ sum = 0.0; for (k = 0; k <= j; k++) sum += normrand(seed)*covar[j][k]; f[j] = sum; } sum = f[1]; for (j = 1; j < numtrees; j++) /* get min of vector */ if (f[j] < sum) sum = f[j]; for (j = 0; j < numtrees; j++) /* accumulate P's */ if (nsteps[j]/10.0-sum2 < f[j] - sum) P[j] += 1.0/SAMPLES; } fprintf(outfile, "Tree Steps Diff Steps P value"); fprintf(outfile, " Significantly worse?\n\n"); for (i = 0; i < numtrees; i++) { fprintf(outfile, "%3ld%10.1f", i+1, nsteps[i]/10); if ((minwhich-1) == i) fprintf(outfile, " <------ best\n"); else { fprintf(outfile, " %9.1f %10.3f", nsteps[i]/10.0-sum2, P[i]); if (P[i] < 0.05) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } } fprintf(outfile, "\n"); free(P); /* free the variables we Malloc'ed */ free(f); for (i = 0; i < numtrees; i++) free(covar[i]); free(covar); } } /* standev */ void standev2(long numtrees, long maxwhich, long a, long b, double maxlogl, double *l0gl, double **l0gf, steptr aliasweight, longer seed) { /* compute and write standard deviation of user trees */ /* used in dnaml, dnamlk, proml, promlk, and restml */ double **covar, *P, *f; long i, j, k; double wt, sumw, sum, sum2, sd; double temp; #define SAMPLES 1000 #define MAXSHIMOTREES 1000 /* ????? if numtrees too big for Shimo, truncate */ if (numtrees == 2) { fprintf(outfile, "Kishino-Hasegawa-Templeton test\n\n"); fprintf(outfile, "Tree logL Diff logL Its S.D."); fprintf(outfile, " Significantly worse?\n\n"); which = 1; while (which <= numtrees) { fprintf(outfile, "%3ld %9.1f", which, l0gl[which - 1]); if (maxwhich == which) fprintf(outfile, " <------ best\n"); else { sumw = 0.0; sum = 0.0; sum2 = 0.0; for (i = a; i <= b; i++) { if (aliasweight[i] > 0) { wt = aliasweight[i]; sumw += wt; temp = l0gf[which - 1][i] - l0gf[maxwhich - 1][i]; sum += temp; sum2 += temp * temp / wt; } } temp = sum / sumw; sd = sqrt(sumw / (sumw - 1.0) * (sum2 - temp * temp)); fprintf(outfile, "%10.1f %11.4f", (l0gl[which - 1])-maxlogl, sd); if ((-sum) > 1.95996 * sd) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } which++; } fprintf(outfile, "\n\n"); } else { /* Shimodaira-Hasegawa test using normal approximation */ fprintf(outfile, "Shimodaira-Hasegawa test\n\n"); covar = (double **)Malloc(numtrees*sizeof(double *)); sumw = 0.0; for (i = a; i <= b; i++) sumw += aliasweight[i]; for (i = 0; i < numtrees; i++) covar[i] = (double *)Malloc(numtrees*sizeof(double)); for (i = 0; i < numtrees; i++) { /* compute covariances of trees */ sum = l0gl[i]/sumw; for (j = 0; j <=i; j++) { sum2 = l0gl[j]/sumw; temp = 0.0; for (k = a; k <= b ; k++) { if (aliasweight[k] > 0) { wt = aliasweight[k]; temp = temp + wt*(l0gf[i][k]/(10.0*wt)-sum) *(l0gf[j][k]/(10.0*wt)-sum2); } } covar[i][j] = temp; if (i != j) covar[j][i] = temp; } } for (i = 0; i < numtrees; i++) { /* in-place Cholesky decomposition of trees x trees covariance matrix */ sum = 0.0; for (j = 0; j <= i-1; j++) sum = sum + covar[i][j] * covar[i][j]; temp = sqrt(covar[i][i] - sum); covar[i][i] = temp; for (j = i+1; j < numtrees; j++) { sum = 0.0; for (k = 0; k < i; k++) sum = sum + covar[i][k] * covar[j][k]; if (fabs(temp) < 1.0E-12) covar[j][i] = 0.0; else covar[j][i] = (covar[j][i] - sum)/temp; } } f = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ P = (double *)Malloc(numtrees*sizeof(double)); /* vector of P's of trees */ for (i = 0; i < numtrees; i++) P[i] = 0.0; for (i = 1; i < SAMPLES; i++) { /* loop over resampled trees */ for (j = 0; j < numtrees; j++) { /* draw vectors */ sum = 0.0; for (k = 0; k <= j; k++) sum += normrand(seed)*covar[j][k]; f[j] = sum; } sum = f[1]; for (j = 1; j < numtrees; j++) /* get max of vector */ if (f[j] > sum) sum = f[j]; for (j = 0; j < numtrees; j++) /* accumulate P's */ if (maxlogl-l0gl[j] < sum-f[j]) P[j] += 1.0/SAMPLES; } fprintf(outfile, "Tree logL Diff logL P value"); fprintf(outfile, " Significantly worse?\n\n"); for (i = 0; i < numtrees; i++) { fprintf(outfile, "%3ld%10.1f", i+1, l0gl[i]); if ((maxwhich-1) == i) fprintf(outfile, " <------ best\n"); else { fprintf(outfile, " %9.1f %10.3f", l0gl[i]-maxlogl, P[i]); if (P[i] < 0.05) fprintf(outfile, " Yes\n"); else fprintf(outfile, " No\n"); } } fprintf(outfile, "\n"); free(P); /* free the variables we Malloc'ed */ free(f); for (i = 0; i < numtrees; i++) free(covar[i]); free(covar); } } /* standev */ void freetip(node *anode) { /* used in dnacomp, dnapars, & dnapenny */ free(anode->numsteps); free(anode->oldnumsteps); free(anode->base); free(anode->oldbase); } /* freetip */ void freenontip(node *anode) { /* used in dnacomp, dnapars, & dnapenny */ free(anode->numsteps); free(anode->oldnumsteps); free(anode->base); free(anode->oldbase); free(anode->numnuc); } /* freenontip */ void freenodes(long nonodes, pointarray treenode) { /* used in dnacomp, dnapars, & dnapenny */ long i; node *p; for (i = 0; i < spp; i++) freetip(treenode[i]); for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]->next; do { freenontip(p); p = p->next; } while (p != treenode[i]); freenontip(p); } } } /* freenodes */ void freenode(node **anode) { /* used in dnacomp, dnapars, & dnapenny */ freenontip(*anode); free(*anode); } /* freenode */ void freetree(long nonodes, pointarray treenode) { /* used in dnacomp, dnapars, & dnapenny */ long i; node *p, *q; for (i = 0; i < spp; i++) free(treenode[i]); for (i = spp; i < nonodes; i++) { if (treenode[i] != NULL) { p = treenode[i]->next; do { q = p->next; free(p); p = q; } while (p != treenode[i]); free(p); } } free(treenode); } /* freetree */ void freex(long nonodes, pointarray treenode) { /* used in dnaml & dnamlk */ long i, j; node *p; for (i = 0; i < spp; i++) { for (j = 0; j < endsite; j++) free(treenode[i]->x[j]); free(treenode[i]->x); } for (i = spp; i < nonodes; i++) { p = treenode[i]; do { for (j = 0; j < endsite; j++) free(p->x[j]); free(p->x); p = p->next; } while (p != treenode[i]); } } /* freex */ void freex2(long nonodes, pointarray treenode) { /* used in restml */ long i, j; node *p; for (i = 0; i < spp; i++) free(treenode[i]->x2); for (i = spp; i < nonodes; i++) { p = treenode[i]; for (j = 1; j <= 3; j++) { free(p->x2); p = p->next; } } } /* freex2 */ void freegarbage(gbases **garbage) { /* used in dnacomp, dnapars, & dnapenny */ gbases *p; while (*garbage) { p = *garbage; *garbage = (*garbage)->next; free(p->base); free(p); } } /*freegarbage */ void freegrbg(node **grbg) { /* used in dnacomp, dnapars, & dnapenny */ node *p; while (*grbg) { p = *grbg; *grbg = (*grbg)->next; freenontip(p); free(p); } } /*freegrbg */ ./arbsrc_9167/GDE/PHYLIP/seq.h0000644012664100000130000001660511213220011015473 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* seq.h: included in dnacomp, dnadist, dnainvar, dnaml, dnamlk, dnamove, dnapars, dnapenny, protdist, protpars, & restml */ #define maxcutter 8 /* maximum number of bases in a site in restml */ /* move */ /* All the below moved here in the Great TreeRead Migration of '96 */ #define ebcdic EBCDIC #define MAXNCH 20 /* All of this came over from cons.h -plc*/ #define OVER 7 #define ADJACENT_PAIRS 1 #define CORR_IN_1_AND_2 2 #define ALL_IN_1_AND_2 3 #define NO_PAIRING 4 #define ALL_IN_FIRST 5 #define TREE1 8 #define TREE2 9 #define FULL_MATRIX 11 #define VERBOSE 22 #define SPARSE 33 /* Used in proml, promlk, dnaml, dnamlk for undefined bestyet*/ #define UNDEFINED 1.0 /* Number of columns per block in a matrix output */ #define COLUMNS_PER_BLOCK 10 /*end move*/ typedef struct gbases { baseptr base; struct gbases *next; } gbases; typedef struct nuview_data { /* A big 'ol collection of pointers used in nuview */ double *yy, *wwzz, *vvzz, *vzsumr, *vzsumy, *sum, *sumr, *sumy; sitelike *xx; } nuview_data; struct LOC_hyptrav { boolean bottom; node *r; long *hypset; boolean maybe, nonzero; long tempset, anc; } ; extern long nonodes, endsite, outgrno, nextree, which; extern boolean interleaved, printdata, outgropt, treeprint, dotdiff, transvp; extern steptr weight, category, alias, location, ally; #ifndef OLDC /* function prototypes */ void free_all_x_in_array (long, pointarray); void free_all_x2_in_array (long, pointarray); void alloctemp(node **, long *, long); void freetemp(node **); void freetree2 (pointarray, long); void inputdata(long); void alloctree(pointarray *, long, boolean); void allocx(long, long, pointarray, boolean); void prot_allocx(long, long, pointarray, boolean); void allocx2(long, long, long, pointarray, boolean); void setuptree(pointarray, long, boolean); void setuptree2(tree); void alloctip(node *, long *); void alloctrans(transptr *, long, long); void getbasefreqs(double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *xi, double *, double *, boolean, boolean); void empiricalfreqs(double *,double *,double *,double *,steptr,pointarray); void sitesort(long, steptr); void sitecombine(long); void sitescrunch(long); void sitesort2(long, steptr); void sitecombine2(long, steptr); void sitescrunch2(long, long, long, steptr); void makevalues(pointarray, long *, boolean); void makevalues2(long, pointarray, long, long, sequence, steptr); void fillin(node *, node *, node *); long getlargest(long *); void multifillin(node *, node *, long); void sumnsteps(node *, node *, node *, long, long); void sumnsteps2(node *, node *, node *, long, long, long *); void multisumnsteps(node *, node *, long, long, long *); void multisumnsteps2(node *); boolean alltips(node *, node *); void gdispose(node *, node **, pointarray); void preorder(node *, node *, node *, node *, node *, node *, long); void updatenumdesc(node *, node *, long); void add(node *,node *,node *,node **,boolean,pointarray,node **,long *); void findbelow(node **below, node *item, node *fork); void re_move(node *item, node **fork, node **root, boolean recompute, pointarray, node **, long *); void postorder(node *p); void getnufork(node **, node **, pointarray, long *); void reroot(node *, node *); void reroot2(node *, node *); void reroot3(node *, node *, node *, node *, node **); void savetraverse(node *); void newindex(long, node *); void flipindexes(long, pointarray); boolean parentinmulti(node *); long sibsvisited(node *, long *); long smallest(node *, long *); void bintomulti(node **, node **, node **, long *); void backtobinary(node **, node *, node **); boolean outgrin(node *, node *); void flipnodes(node *, node *); void moveleft(node *, node *, node **); void savetree(node *, long *, pointarray, node **, long *); void addnsave(node *, node *, node *, node **, node **,boolean, pointarray, long *, long *); void addbestever(long *, long *, long, boolean, long *, bestelm *); void addtiedtree(long, long *, long, boolean,long *, bestelm *); void clearcollapse(pointarray); void clearbottom(pointarray); void collabranch(node *, node *, node *); boolean allcommonbases(node *, node *, boolean *); void findbottom(node *, node **); boolean moresteps(node *, node *); boolean passdown(node *, node *, node *, node *, node *, node *, node *, node *, node *, boolean); boolean trycollapdesc(node *, node *, node *, node *, node *, node *, node *, node *, node *, boolean , long *); void setbottom(node *); boolean zeroinsubtree(node *, node *, node *, node *, node *, node *, node *, node *, boolean, node *, long *); boolean collapsible(node *, node *, node *, node *, node *, node *, node *, node *, boolean, node *, long *, pointarray); void replaceback(node **, node *, node *, node **, long *); void putback(node *, node *, node *, node **); void savelocrearr(node *, node *, node *, node *, node *, node *, node *, node *, node *, node **, long, long *, boolean, boolean , boolean *, long *, bestelm *, pointarray , node **, long *); void clearvisited(pointarray); void hyprint(long, long, struct LOC_hyptrav *,pointarray, Char *); void gnubase(gbases **, gbases **, long); void chuckbase(gbases *, gbases **); void hyptrav(node *, long *, long, long, boolean,pointarray, gbases **, Char *); void hypstates(long , node *, pointarray, gbases **, Char *); void initbranchlen(node *p); void initmin(node *, long, boolean); void initbase(node *, long); void inittreetrav(node *, long); void compmin(node *, node *); void minpostorder(node *, pointarray); void branchlength(node *,node *,double *,pointarray); void printbranchlengths(node *); void branchlentrav(node *,node *,long,long,double *,pointarray); void treelength(node *, long, pointarray); void coordinates(node *, long *, double, long *); void drawline(long, double, node *); void printree(node *, double); void writesteps(long, boolean, steptr, node *); void treeout(node *, long, long *, node *); void treeout3(node *, long, long *, node *); void drawline2(long, double, tree); void drawline3(long, double, node *); void copynode(node *, node *, long); void prot_copynode(node *, node *, long); void copy_(tree *, tree *, long, long); void prot_copy_(tree *, tree *, long, long); void standev(long, long, long, double, double *, long **, longer); void standev2(long, long, long, long, double, double *, double **, steptr, longer); void freetip(node *); void freenontip(node *); void freenodes(long, pointarray); void freenode(node **); void freetree(long, pointarray); void freex(long, pointarray); void freex2(long, pointarray); void freegarbage(gbases **); void freegrbg(node **); /*function prototypes*/ #endif ./arbsrc_9167/GDE/PHYLIP/treedist.c0000644012664100000130000007315711213220011016526 0ustar arb_buildcoders #include "phylip.h" #include "cons.h" /* version 3.6. (c) Copyright 1993-2002 by the University of Washington. Written by Dan Fineman, Joseph Felsenstein, Hisashi Horino, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ long output_scheme ; extern long tree_pairing ; /* The following extern's refer to things declared in cons.c */ extern Char outfilename[FNMLNGTH], intreename[FNMLNGTH], intree2name[FNMLNGTH], outtreename[FNMLNGTH]; extern node *root; extern long numopts, outgrno, col, setsz; extern long maxgrp; /* max. no. of groups in all trees found */ extern boolean trout, firsttree, noroot, outgropt, didreroot, prntsets, progress, treeprint, goteof; extern pointarray treenode, nodep; extern group_type **grouping, **grping2, **group2;/* to store groups found */ extern long **order, **order2, lasti; extern group_type *fullset; extern node *grbg; extern long tipy; extern double **timesseen, **tmseen2, **times2 ; extern double trweight, ntrees ; #ifndef OLDC /* function prototpes */ void assign_tree(group_type **, pattern_elm ***, long, long *); boolean group_is_null(group_type **, long); long tree_diff(group_type **, group_type **, long, long); void compute_distances(pattern_elm ***, long, long, long *); void free_patterns(pattern_elm ***, long); void produce_square_matrix(long, long *); void produce_full_matrix(long, long, long *); void output_distances(long, long, long *); void output_submenu(void); void pairing_submenu(void); void read_second_file(pattern_elm ***, double *, long *, long *); void getoptions(void); /* function prototpes */ #endif void assign_tree(group_type **treeN, pattern_elm ***pattern_array, long tree_index, long *pattern_size) { /* set treeN to be the tree_index-th tree in pattern_elm */ long i ; for (i = 0 ; i < setsz ; i++) { treeN[i] = pattern_array[i][tree_index]->apattern ; } *pattern_size = *pattern_array[0][tree_index]->patternsize; } /* assign_tree */ boolean group_is_null(group_type **treeN, long index) { /* Check to see if a given index to a tree array points to an empty group */ long i ; for (i = 0 ; i < setsz ; i++) if (treeN[i][index] != (group_type) 0) return false ; /* If we've gotten this far, then the index is to an empty group in the tree. */ return true ; } /* group_is_null */ long tree_diff(group_type **tree1, group_type **tree2, long patternsz1, long patternsz2) { /* Compute the symmetric difference between 2 given trees. Return that value as a long. */ long index1, index2, return_value = 0 ; boolean match_found ; long i; if (group_is_null (tree1, 0) || group_is_null (tree2, 0)) { printf ("Error computing tree difference.\n") ; return 0; } for (index1 = 0 ; index1 < patternsz1 ; index1++) { /* For every element in the first tree, see if there's a match to it in the second tree. */ match_found = false ; if (group_is_null (tree1, index1)) { /* When we've gone over all the elements in tree1, greater number of elements in tree2 will constitute that much more of a difference... */ while (! group_is_null (tree2, index1)) { return_value++ ; index1++ ; /* printf ("Found null group %ld, return value at %ld. . .\n", index1-1, return_value) ; */ } break ; } for (index2 = 0 ; index2 < patternsz2 ; index2++) { /* For every element in the second tree, see if any match the current element in the first tree. */ if (group_is_null (tree2, index2)) { /* When we've gone over all the elements in tree2 */ match_found = false ; break ; } else { /* Tentatively set match_found; will be changed later if neccessary. . . */ match_found = true ; for (i = 0 ; i < setsz ; i++) { /* See if we've got a match, */ if (tree1[i][index1] != tree2[i][index2]) match_found = false ; } if (match_found == true) /* If the previous loop ran from 0 to setsz without setting match_found to false, */ break ; } } if (match_found == false) { return_value++ ; } } return return_value ; } /* tree_diff */ void compute_distances(pattern_elm ***pattern_array, long trees_in_1, long trees_in_2, long *diff_array) { /* Compute symmetric distances between arrays of trees */ long i, tree_index, diff1, diff2, end_tree, index1, index2, diff_index ; group_type **treeA, **treeB ; long patternsz1, patternsz2; diff_index = 0 ; /* Put together space for treeA and treeB */ treeA = (group_type **) Malloc (setsz * sizeof (group_type *)) ; treeB = (group_type **) Malloc (setsz * sizeof (group_type *)) ; for (i=0 ; i index2) { /* No need to re-compute something we've already done, */ diff_array[diff_index++] = diff_array[(index2 * trees_in_1) + index1] ; } else { assign_tree (treeB, pattern_array, index2, &patternsz2) ; diff1 = tree_diff (treeB, treeA, patternsz2, patternsz1) ; diff2 = tree_diff (treeA, treeB, patternsz1, patternsz2) ; diff_array[diff_index++] = diff1 + diff2 ; } } } break ; case (CORR_IN_1_AND_2) : if (trees_in_1 != trees_in_2) { /* Print something out to the outfile and to the terminal. */ fprintf (outfile, "\n\n") ; fprintf (outfile, "*** Warning: differing number of trees in first and second\n") ; fprintf (outfile, "*** tree files. Only computing %ld pairs.\n\n", trees_in_1 > trees_in_2 ? trees_in_2 : trees_in_1) ; printf ("\n *** Warning: differing number of trees in first and second\n") ; printf (" *** tree files. Only computing %ld pairs.\n\n", trees_in_1 > trees_in_2 ? trees_in_2 : trees_in_1) ; /* Set end tree to the smaller of the two totals. */ end_tree = trees_in_1 > trees_in_2 ? trees_in_2 : trees_in_1 ; } else end_tree = trees_in_1 ; for (tree_index = 0 ; tree_index < end_tree ; tree_index++) { /* For every tree, compute the distance between it and the tree at the parallel location in the other file; do this in both directions */ assign_tree (treeA, pattern_array, tree_index, &patternsz1) ; /* (tree_index + trees_in_1) will be the corresponding tree in the second file. */ assign_tree (treeB, pattern_array, tree_index + trees_in_1, &patternsz2) ; diff1 = tree_diff (treeB, treeA, patternsz2, patternsz1) ; diff2 = tree_diff (treeA, treeB, patternsz1, patternsz2) ; diff_array[tree_index] = diff1 + diff2 ; } break ; case (ALL_IN_1_AND_2) : end_tree = trees_in_1 + trees_in_2 ; for (tree_index = 0 ; tree_index < trees_in_1 ; tree_index++) { /* For every tree in the first file, compute the distance between it and every tree in the second file. */ assign_tree (treeA, pattern_array, tree_index, &patternsz1) ; for (index2 = trees_in_1 ; index2 < end_tree ; index2++) { assign_tree (treeB, pattern_array, index2, &patternsz2) ; diff1 = tree_diff (treeB, treeA, patternsz2, patternsz1) ; diff2 = tree_diff (treeA, treeB, patternsz1, patternsz2) ; diff_array[diff_index++] = diff1 + diff2 ; } } for ( ; tree_index < end_tree ; tree_index++) { /* For every tree in the second file, compute the distance between it and every tree in the first file. */ assign_tree (treeA, pattern_array, tree_index, &patternsz1) ; for (index2 = 0 ; index2 < trees_in_1 ; index2++) { assign_tree (treeB, pattern_array, index2, &patternsz2) ; diff1 = tree_diff (treeB, treeA, patternsz2, patternsz1) ; diff2 = tree_diff (treeA, treeB, patternsz1, patternsz2) ; diff_array[diff_index++] = diff1 + diff2 ; } } break ; } /* Free up treeA and treeB */ for (i=0 ; iapattern) ; free (pattern_array[i][j]->patternsize) ; } free (pattern_array[i]) ; } free (pattern_array) ; } /* free_patterns */ void produce_square_matrix(long trees_in_1, long *diff_array) { long i, j ; long block_start, block_end, block_index, end_block ; end_block = (int) ceil ((double) trees_in_1 / (double) COLUMNS_PER_BLOCK) ; block_start = 0 ; block_end = 0 ; for (block_index = 0 ; block_index < end_block; block_index++) { block_start = block_index * COLUMNS_PER_BLOCK ; block_end = block_start + COLUMNS_PER_BLOCK ; if (block_end > trees_in_1) block_end = trees_in_1 ; /* Leading spaces in the top line */ fprintf (outfile, " ") ; /* Here's the top line index, */ for (i = block_start ; i < block_end ; i++) fprintf (outfile,"%2ld ", i+1) ; /* And then a delimiting line. */ fprintf (outfile,"\n \\") ; for (i=block_start ; i < block_end ; i++) fprintf (outfile,"------") ; fprintf (outfile,"\n") ; for (i = 0 ; i < trees_in_1 ; i++) { fprintf (outfile," %4ld |", i+1) ; /* The row indicator, */ for (j = 0 ; j < block_end - block_start ; j++) { fprintf (outfile, "%4ld ", diff_array [(i * trees_in_1) + (block_index * COLUMNS_PER_BLOCK) + j]) ; } fprintf (outfile,"\n") ; } fprintf (outfile,"\n\n") ; } } /* produce_square_matrix */ void produce_full_matrix(long trees_in_1, long trees_in_2, long *diff_array) { long i, j, block_start, block_end, block_index, end_block ; end_block = ((double) trees_in_2 / (double) COLUMNS_PER_BLOCK) + 1 ; block_start = trees_in_1 ; block_end = 0 ; /* Print out the top row, */ fprintf (outfile,"\n\n") ; fprintf (outfile, "First\\ Second tree file:\n") ; fprintf (outfile, "tree \\\n") ; fprintf (outfile, "file: \\ ") ; for (block_index = 0 ; block_index < end_block; block_index++) { block_start += block_index * COLUMNS_PER_BLOCK ; block_end = block_start + COLUMNS_PER_BLOCK ; if (block_end > (trees_in_1 + trees_in_2)) block_end = (trees_in_1 + trees_in_2) ; /* This is the top row for the block, listing trees in the second file. */ if (block_start != trees_in_1) /* For blocks beyond the first, */ fprintf (outfile," ") ; /* Here's the top line index, */ for (i=block_start ; i < block_end ; i++) fprintf (outfile,"%2ld ", (i+1) - trees_in_1) ; /* And then a delimiting line. */ fprintf (outfile,"\n \\") ; for (i=block_start ; i < block_end ; i++) fprintf (outfile,"------") ; fprintf (outfile,"\n") ; for (i = 0 ; i < trees_in_1 ; i++) { fprintf (outfile," %2ld |", i+1) ; /* The row indicator, */ for (j = 0 ; j < block_end - block_start ; j++) { fprintf (outfile, "%4ld ", diff_array [(i * trees_in_2) + (block_index * COLUMNS_PER_BLOCK) + j]) ; } fprintf (outfile,"\n") ; } fprintf (outfile,"\n\n") ; } } /* produce_full_matrix */ void output_distances(long trees_in_1, long trees_in_2, long *diff_array) { long i, j, end_tree, diff_index ; diff_index = 0 ; switch (tree_pairing) { case (ADJACENT_PAIRS) : end_tree = trees_in_1 - 1 ; if (output_scheme == VERBOSE) { fprintf(outfile, "\nTree distance program, version %s\n\n", VERSION); fprintf (outfile, "Symmetric differences between adjacent pairs of trees:\n\n"); for (i = 0 ; i < end_tree ; i += 2) fprintf (outfile, "Trees %ld and %ld: %ld\n", i+1, i+2, diff_array[diff_index++]) ; fprintf(outfile, "\n"); } else if (output_scheme == SPARSE) { for (i = 0 ; i < end_tree ; i += 2) fprintf (outfile, "%ld %ld %ld\n", i+1, i+2, diff_array[diff_index++]) ; } else printf ("Error -- cannot output adjacent pairs into a full matrix.\n") ; break ; case (ALL_IN_FIRST) : end_tree = trees_in_1 ; if (output_scheme == VERBOSE) { fprintf(outfile, "\nTree distance program, version %s\n\n", VERSION); fprintf (outfile, "Symmetric differences between all pairs of trees in tree file:\n\n"); for (i=0; i trees_in_2 ? trees_in_2 : trees_in_1 ; else end_tree = trees_in_1 ; if (output_scheme == VERBOSE) { fprintf(outfile, "\nTree distance program, version %s\n\n", VERSION); fprintf (outfile, "Symmetric differences between corresponding pairs of trees\n"); fprintf (outfile, " from first and second tree files:\n\n"); for (i = 0 ; i < end_tree ; i++) fprintf (outfile, "Tree pair %ld: %ld\n", i+1, diff_array[i]) ; fprintf(outfile, "\n"); } else if (output_scheme == SPARSE) { for (i = 0 ; i < end_tree ; i++) fprintf (outfile, "%ld %ld\n", i+1, diff_array[i]) ; } else printf ("Error -- cannot output corresponding pairs into a full matrix.\n") ; break ; case (ALL_IN_1_AND_2) : end_tree = trees_in_1 + trees_in_2 ; switch (output_scheme) { case (VERBOSE) : fprintf(outfile, "\nTree distance program, version %s\n\n", VERSION); fprintf (outfile, "Symmetric differences between all pairs of trees\n"); fprintf (outfile, " from first and second tree files:\n\n"); for (i = 0 ; i < trees_in_1 ; i++) for (j = trees_in_1 ; j < end_tree ; j++) { fprintf (outfile, "Trees %ld and %ld: %ld\n", i+1, j+1, diff_array[diff_index++]) ; } for (i = trees_in_1; i < end_tree ; i++) for (j = 0 ; j < trees_in_1 ; j++) { fprintf (outfile, "Trees %ld and %ld: %ld\n", i+1, j+1, diff_array[diff_index++]) ; } fprintf(outfile, "\n"); break ; case (SPARSE) : for (i = 0 ; i < trees_in_1 ; i++) for (j = trees_in_1 ; j < end_tree ; j++) { fprintf (outfile, "%ld %ld %ld\n", i+1, j+1, diff_array[diff_index++]) ; } for (i = trees_in_1; i < end_tree ; i++) for (j = 0 ; j < trees_in_1 ; j++) { fprintf (outfile, "%ld %ld %ld\n", i+1, j+1, diff_array[diff_index++]) ; } break ; case (FULL_MATRIX) : fprintf(outfile, "\nTree distance program, version %s\n\n", VERSION); produce_full_matrix (trees_in_1, trees_in_2, diff_array) ; break ; } break ; } } /* output_distances */ void output_submenu() { /* this allows the user to select a different output of distances scheme. */ long loopcount; boolean done = false; Char ch ; if (tree_pairing == NO_PAIRING) return ; loopcount = 0; while (!done) { printf ("\nDistances output options:\n") ; if ((tree_pairing == ALL_IN_1_AND_2) || (tree_pairing == ALL_IN_FIRST)) printf (" F Full matrix.\n") ; printf (" V One pair per line, verbose.\n") ; printf (" S One pair per line, sparse.\n") ; if ((tree_pairing == ALL_IN_1_AND_2) || (tree_pairing == ALL_IN_FIRST)) printf ("\n Choose one: (F,V,S)\n") ; else printf ("\n Choose one: (V,S)\n") ; scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (strchr("FVS",ch) != NULL) { switch (ch) { case 'F': if ((tree_pairing == ALL_IN_1_AND_2) || (tree_pairing == ALL_IN_FIRST)) output_scheme = FULL_MATRIX ; else /* If this can't be a full matrix... */ continue ; break ; case 'V': output_scheme = VERBOSE ; break ; case 'S': output_scheme = SPARSE ; break ; } done = true ; } countup(&loopcount, 10); } } /* output_submenu */ void pairing_submenu() { /* this allows the user to select a different tree pairing scheme. */ long loopcount; boolean done = false; Char ch ; loopcount = 0; while (!done) { cleerhome(); printf ("Tree Pairing Submenu:\n") ; printf (" A Distances between adjacent pairs in tree file.\n") ; printf (" P Distances between all possible pairs in tree file.\n") ; printf (" C Distances between corresponding pairs in one tree file and another.\n") ; printf (" L Distances between all pairs in one tree file and another.\n") ; printf ("\n Choose one: (A,P,C,L)\n") ; scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); if (strchr("APCL",ch) != NULL) { switch (ch) { case 'A': tree_pairing = ADJACENT_PAIRS ; break ; case 'P': tree_pairing = ALL_IN_FIRST ; break ; case 'C': tree_pairing = CORR_IN_1_AND_2 ; break ; case 'L': tree_pairing = ALL_IN_1_AND_2 ; break ; } output_submenu() ; done = true ; } countup(&loopcount, 10); } } /* pairing_submenu */ void read_second_file(pattern_elm ***pattern_array, double *timesseen_changes, long *trees_in_1, long *trees_in_2) { boolean firsttree2, haslengths, initial; long nextnode; long j; firsttree2 = true; grbg = NULL; initial = true; while (!eoff(intree2)) { goteof = false; nextnode = 0; haslengths = false; allocate_nodep(&nodep, &intree2, &spp); if (firsttree2) nayme = (naym *)Malloc(spp*sizeof(naym)); treeread(intree2, &root, treenode, &goteof, &firsttree2, nodep, &nextnode, &haslengths, &grbg, initconsnode); if (!initial) { reordertips(); } else { initial = false; dupname(root); initreenode(root); } if (goteof) continue; ntrees += trweight; if (noroot) { reroot(nodep[outgrno - 1], &nextnode); didreroot = outgropt; } accumulate(root); gdispose(root); for (j = 0; j < 2*(1 + spp); j++) nodep[j] = NULL; free(nodep); store_pattern (pattern_array, timesseen_changes, (*trees_in_1) + (*trees_in_2)) ; (*trees_in_2)++ ; } free(nayme); } /* read_second_file */ void getoptions() { /* interactively set options */ long loopcount, loopcount2; Char ch; boolean done, done1; /* Initial settings */ tree_pairing = ADJACENT_PAIRS ; output_scheme = VERBOSE ; ibmpc = IBMCRT; ansi = ANSICRT; didreroot = false; spp = 0 ; grbg = NULL; col = 0 ; putchar('\n'); noroot = true; numopts = 0; outgrno = 1; outgropt = false; progress = true; /* The following are not used by treedist, but may be used in functions in cons.c, so we set them here. */ treeprint = false; trout = false; prntsets = false; loopcount = 0; do { cleerhome(); printf("\nTree distance program, version %s\n\n", VERSION); printf("Settings for this run:\n"); if (noroot) { printf(" O Outgroup root:"); if (outgropt) printf(" Yes, at species number%3ld\n", outgrno); else printf(" No, use as outgroup species%3ld\n", outgrno); } printf(" R Trees to be treated as Rooted:"); if (noroot) printf(" No\n"); else printf(" Yes\n"); printf(" T Terminal type (IBM PC, ANSI, none):"); if (ibmpc) printf(" IBM PC\n"); if (ansi) printf(" ANSI\n"); if (!(ibmpc || ansi)) printf(" (none)\n"); printf(" 1 Print indications of progress of run: %s\n", (progress ? "Yes" : "No")); /* Added by Dan F. */ printf(" 2 Tree distance submenu:") ; switch (tree_pairing) { case NO_PAIRING: printf("\n\nERROR: Unallowable option!\n\n") ; exxit(-1); break ; case ADJACENT_PAIRS: printf(" Distance between adjacent pairs\n") ; break ; case CORR_IN_1_AND_2: printf(" Distances between corresponding \n") ; printf(" pairs in first and second tree files\n") ; break ; case ALL_IN_FIRST: printf(" Distances between all possible\n") ; printf(" pairs in tree file.\n") ; break ; case ALL_IN_1_AND_2: printf(" Distances between all pairs in\n") ; printf(" first and second tree files\n") ; break ; } printf("\nAre these settings correct? (type Y or the letter for one to change)\n"); scanf("%c%*[^\n]", &ch); getchar(); uppercase(&ch); done = (ch == 'Y'); if (!done) { if ((noroot && (ch == 'O')) || strchr("RT12",ch) != NULL) { switch (ch) { case 'O': outgropt = !outgropt; if (outgropt) { numopts++; done1 = true; loopcount2 = 0; do { printf("Type number of the outgroup:\n"); scanf("%ld%*[^\n]", &outgrno); getchar(); done1 = (outgrno >= 1); if (!done1) { printf("\n\nERROR: Bad outgroup number: %ld", outgrno); printf(" (must be greater than zero)\n\n"); } countup(&loopcount2, 10); } while (done1 != true); } break; case 'R': noroot = !noroot; break; case 'T': initterminal(&ibmpc, &ansi); break; case '1': progress = !progress; break; case '2': pairing_submenu() ; break ; } } else printf("Not a possible option!\n"); } countup(&loopcount, 100); } while (!done); } /* getoptions */ int main(int argc, Char *argv[]) { /* Local variables added by Dan F. */ pattern_elm ***pattern_array ; double *timesseen_changes ; long trees_in_1 = 0, trees_in_2 = 0 ; long *diff_array ; #ifdef MAC argc = 1; /* macsetup("Treedist", ""); */ argv[0] = "Treedist"; #endif init(argc, argv); openfile(&intree, INTREE, "input tree file", "r", argv[0], intreename); openfile(&outfile, OUTFILE, "output file", "w", argv[0], outfilename); /* Initialize option-based variables, then ask for changes regarding their values. */ getoptions(); ntrees = 0.0; maxgrp = 10000; lasti = -1; if ((tree_pairing == ALL_IN_1_AND_2) || (tree_pairing == CORR_IN_1_AND_2)) /* If another intree file should exist, */ openfile(&intree2, INTREE2, "input tree file 2", "r", argv[0], intree2name); if (tree_pairing != NO_PAIRING){ timesseen_changes = (double *)Malloc(maxgrp * sizeof(double)) ; } /* Read the (first) tree file and put together grouping, order, and timesseen */ read_groups (&pattern_array, timesseen_changes, &trees_in_1, intree); if ((tree_pairing == ADJACENT_PAIRS) || (tree_pairing == ALL_IN_FIRST)) { trees_in_2 = 0 ; /* Just to avoid problems. . .*/ /* Here deal with the adjacent or all-in-first pairing difference computation */ if (tree_pairing == ADJACENT_PAIRS) diff_array = (long *) Malloc (trees_in_1 * sizeof (long *)) ; else if (tree_pairing == ALL_IN_FIRST) diff_array = (long *) Malloc ((trees_in_1 * trees_in_1) * sizeof (long *)) ; compute_distances (pattern_array, trees_in_1, trees_in_2, diff_array) ; output_distances (trees_in_1, trees_in_2, diff_array) ; /* Free all the buffers needed to compute the differences. */ free (diff_array) ; free (timesseen_changes) ; /* Patterns need to be freed in a more complex fashion. */ /* This removed 'cause it was causing problems */ /* free_patterns (pattern_array, trees_in_1 + trees_in_2) ;*/ } else if ((tree_pairing == CORR_IN_1_AND_2) || (tree_pairing == ALL_IN_1_AND_2)) { /* Here, open the other tree file, parse it, and then put together the difference array */ read_second_file (pattern_array, timesseen_changes, &trees_in_1, &trees_in_2) ; /* Allocate a proper amount of space for the diff_array, */ if (tree_pairing == CORR_IN_1_AND_2) diff_array = (long *) Malloc ((trees_in_1 + trees_in_2) * sizeof (long *)) ; else if (tree_pairing == ALL_IN_1_AND_2) diff_array = (long *) Malloc ((trees_in_1 * trees_in_2) * 2 * sizeof (long *)) ; compute_distances (pattern_array, trees_in_1, trees_in_2, diff_array) ; output_distances (trees_in_1, trees_in_2, diff_array) ; /* Free all the buffers needed to compute the differences. */ free (diff_array) ; free (timesseen_changes) ; /* Patterns need to be freed in a more complex fashion. */ /* This removed 'cause it was causing problems */ /* free_patterns (pattern_array, trees_in_1 + trees_in_2) ; */ } else if (tree_pairing == NO_PAIRING) { /* Compute the consensus tree. */ putc('\n', outfile); /* consensus(); Reserved for future development */ } if (progress) printf("\nOutput written to file \"%s\"\n\n", outfilename); FClose(outtree); FClose(intree); FClose(outfile); if ((tree_pairing == ALL_IN_1_AND_2) || (tree_pairing == CORR_IN_1_AND_2)) FClose(intree2) ; printf("Done.\n\n"); #ifdef MAC fixmacfile(outfilename); fixmacfile(outtreename); #endif return 0; } /* main */ ./arbsrc_9167/GDE/PHYLIP/wagner.c0000644012664100000130000003520511213220011016156 0ustar arb_buildcoders #include "phylip.h" #include "disc.h" #include "wagner.h" /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ void inputmixture(bitptr wagner0) { /* input mixture of methods */ /* used in mix, move, & penny */ long i, j, k; Char ch; boolean wag; for (i = 1; i < nmlngth; i++) { ch = gettc(infile); if (ch == '\n') ch = ' '; } for (i = 0; i < (words); i++) wagner0[i] = 0; j = 0; k = 1; for (i = 1; i <= (chars); i++) { do { if (eoln(infile)) scan_eoln(infile); ch = gettc(infile); if (ch == '\n') ch = ' '; } while (ch == ' '); uppercase(&ch); wag = false; if (ch == 'W' || ch == '?') wag = true; else if (ch == 'S' || ch == 'C') wag = false; else { printf("BAD METHOD: %c\n", ch); exxit(-1); } j++; if (j > bits) { j = 1; k++; } if (wag) wagner0[k - 1] = (long)wagner0[k - 1] | (1L << j); } scan_eoln(infile); } /* inputmixture */ void inputmixturenew(bitptr wagner0) { /* input mixture of methods */ /* used in mix, move, & penny */ long i, j, k; Char ch; boolean wag; for (i = 0; i < (words); i++) wagner0[i] = 0; j = 0; k = 1; for (i = 1; i <= (chars); i++) { do { if (eoln(mixfile)) scan_eoln(mixfile); ch = gettc(mixfile); if (ch == '\n') ch = ' '; } while (ch == ' '); uppercase(&ch); wag = false; if (ch == 'W' || ch == '?') wag = true; else if (ch == 'S' || ch == 'C') wag = false; else { printf("BAD METHOD: %c\n", ch); exxit(-1); } j++; if (j > bits) { j = 1; k++; } if (wag) wagner0[k - 1] = (long)wagner0[k - 1] | (1L << j); } scan_eoln(mixfile); } /* inputmixture */ void printmixture(FILE *filename, bitptr wagner) { /* print out list of parsimony methods */ /* used in mix, move, & penny */ long i, k, l; fprintf(filename, "Parsimony methods:\n"); l = 0; k = 1; for (i = 1; i <= nmlngth + 3; i++) putc(' ', filename); for (i = 1; i <= (chars); i++) { newline(filename, i, 55, nmlngth + 3); l++; if (l > bits) { l = 1; k++; } if (((1L << l) & wagner[k - 1]) != 0) putc('W', filename); else putc('S', filename); if (i % 5 == 0) putc(' ', filename); } fprintf(filename, "\n\n"); } /* printmixture */ void fillin(node2 *p,long fullset,boolean full,bitptr wagner,bitptr zeroanc) { /* Sets up for each node in the tree two statesets. stateone and statezero are the sets of character states that must be 1 or must be 0, respectively, in a most parsimonious reconstruction, based on the information at or above this node. Note that this state assignment may change based on information further down the tree. If a character is in both sets it is in state "P". If in neither, it is "?". */ long i; long l0, l1, r0, r1, st, wa, za; for (i = 0; i < (words); i++) { if (full) { l0 = p->next->back->fulstte0[i]; l1 = p->next->back->fulstte1[i]; r0 = p->next->next->back->fulstte0[i]; r1 = p->next->next->back->fulstte1[i]; } else { l0 = p->next->back->empstte0[i]; l1 = p->next->back->empstte1[i]; r0 = p->next->next->back->empstte0[i]; r1 = p->next->next->back->empstte1[i]; } st = (l1 & r0) | (l0 & r1); wa = wagner[i]; za = zeroanc[i]; if (full) { p->fulstte1[i] = (l1 | r1) & (~(st & (wa | za))); p->fulstte0[i] = (l0 | r0) & (~(st & (wa | (fullset & (~za))))); p->fulsteps[i] = st; } else { p->empstte1[i] = (l1 | r1) & (~(st & (wa | za))); p->empstte0[i] = (l0 | r0) & (~(st & (wa | (fullset & (~za))))); p->empsteps[i] = st; } } } /* fillin */ void count(long *stps, bitptr zeroanc, steptr numszero, steptr numsone) { /* counts the number of steps in a fork of the tree. The program spends much of its time in this PROCEDURE */ /* used in mix & penny */ long i, j, l; j = 1; l = 0; for (i = 0; i < (chars); i++) { l++; if (l > bits) { l = 1; j++; } if (((1L << l) & stps[j - 1]) != 0) { if (((1L << l) & zeroanc[j - 1]) != 0) numszero[i] += weight[i]; else numsone[i] += weight[i]; } } } /* count */ void postorder(node2 *p, long fullset, boolean full, bitptr wagner, bitptr zeroanc) { /* traverses a binary tree, calling PROCEDURE fillin at a node's descendants before calling fillin at the node2 */ /* used in mix & penny */ if (p->tip) return; postorder(p->next->back, fullset, full, wagner, zeroanc); postorder(p->next->next->back, fullset, full, wagner, zeroanc); if (!p->visited) { fillin(p, fullset, full, wagner, zeroanc); if (!full) p->visited = true; } } /* postorder */ void cpostorder(node2 *p, boolean full, bitptr zeroanc, steptr numszero, steptr numsone) { /* traverses a binary tree, calling PROCEDURE count at a node's descendants before calling count at the node2 */ /* used in mix & penny */ if (p->tip) return; cpostorder(p->next->back, full, zeroanc, numszero, numsone); cpostorder(p->next->next->back, full, zeroanc, numszero, numsone); if (full) count(p->fulsteps, zeroanc, numszero, numsone); else count(p->empsteps, zeroanc, numszero, numsone); } /* cpostorder */ void filltrav(node2 *r, long fullset, boolean full, bitptr wagner, bitptr zeroanc) { /* traverse to fill in interior node states */ if (r->tip) return; filltrav(r->next->back, fullset, full, wagner, zeroanc); filltrav(r->next->next->back, fullset, full, wagner, zeroanc); fillin(r, fullset, full, wagner, zeroanc); } /* filltrav */ void hyprint(struct htrav_vars2 *htrav, boolean unknown, boolean noroot, boolean didreroot, bitptr wagner, Char *guess) { /* print out states at node2 */ long i, j, k; char l; boolean dot, a0, a1, s0, s1; if (htrav->bottom) { if (noroot && !didreroot) fprintf(outfile, " "); else fprintf(outfile, "root "); } else fprintf(outfile, "%3ld ", htrav->r->back->index - spp); if (htrav->r->tip) { for (i = 0; i < nmlngth; i++) putc(nayme[htrav->r->index - 1][i], outfile); } else fprintf(outfile, "%4ld ", htrav->r->index - spp); if (htrav->bottom && noroot && !didreroot) fprintf(outfile, " "); else if (htrav->nonzero) fprintf(outfile, " yes "); else if (unknown) fprintf(outfile, " ? "); else if (htrav->maybe) fprintf(outfile, " maybe "); else fprintf(outfile, " no "); for (j = 1; j <= (chars); j++) { newline(outfile, j, 40, nmlngth + 17); k = (j - 1) / bits + 1; l = (j - 1) % bits + 1; dot = (((1L << l) & wagner[k - 1]) == 0 && guess[j - 1] == '?'); s0 = (((1L << l) & htrav->r->empstte0[k - 1]) != 0); s1 = (((1L << l) & htrav->r->empstte1[k - 1]) != 0); a0 = (((1L << l) & htrav->zerobelow->bits_[k - 1]) != 0); a1 = (((1L << l) & htrav->onebelow->bits_[k - 1]) != 0); dot = (dot || ((!htrav->bottom || !noroot || didreroot) && a1 == s1 && a0 == s0 && s0 != s1)); if (dot) putc('.', outfile); else { if (s0) putc('0', outfile); else if (s1) putc('1', outfile); else putc('?', outfile); } if (j % 5 == 0) putc(' ', outfile); } putc('\n', outfile); } /* hyprint */ void hyptrav(node2 *r_, boolean unknown, bitptr dohyp, long fullset, boolean noroot, boolean didreroot, bitptr wagner, bitptr zeroanc, bitptr oneanc, pointptr2 treenode, Char *guess, gbit *garbage) { /* compute, print out states at one interior node2 */ /* used in mix & penny */ struct htrav_vars2 vars; long i; long l0, l1, r0, r1, s0, s1, a0, a1, temp, dh, wa; vars.r = r_; disc_gnu(&vars.zerobelow, &garbage); disc_gnu(&vars.onebelow, &garbage); vars.bottom = (vars.r->back == NULL); vars.maybe = false; vars.nonzero = false; if (vars.bottom) { memcpy(vars.zerobelow->bits_, zeroanc, words*sizeof(long)); memcpy(vars.onebelow->bits_, oneanc, words*sizeof(long)); } else { memcpy(vars.zerobelow->bits_, treenode[vars.r->back->index - 1]->empstte0, words*sizeof(long)); memcpy(vars.onebelow->bits_, treenode[vars.r->back->index - 1]->empstte1, words*sizeof(long)); } for (i = 0; i < (words); i++) { dh = dohyp[i]; s0 = vars.r->empstte0[i]; s1 = vars.r->empstte1[i]; a0 = vars.zerobelow->bits_[i]; a1 = vars.onebelow->bits_[i]; if (!vars.r->tip) { wa = wagner[i]; l0 = vars.r->next->back->empstte0[i]; l1 = vars.r->next->back->empstte1[i]; r0 = vars.r->next->next->back->empstte0[i]; r1 = vars.r->next->next->back->empstte1[i]; s0 = (wa & ((a0 & l0) | (a0 & r0) | (l0 & r0))) | (dh & fullset & (~wa) & s0); s1 = (wa & ((a1 & l1) | (a1 & r1) | (l1 & r1))) | (dh & fullset & (~wa) & s1); temp = fullset & (~(s0 | s1 | l1 | l0 | r1 | r0)); s0 |= temp & a0; s1 |= temp & a1; vars.r->empstte0[i] = s0; vars.r->empstte1[i] = s1; } vars.maybe = (vars.maybe || (dh & (s0 | s1)) != (a0 | a1)); vars.nonzero = (vars.nonzero || ((s1 & a0) | (s0 & a1)) != 0); } hyprint(&vars,unknown, noroot, didreroot, wagner, guess); if (!vars.r->tip) { hyptrav(vars.r->next->back,unknown,dohyp, fullset, noroot,didreroot, wagner, zeroanc, oneanc, treenode, guess, garbage); hyptrav(vars.r->next->next->back, unknown,dohyp, fullset, noroot, didreroot, wagner, zeroanc, oneanc, treenode, guess, garbage); } disc_chuck(vars.zerobelow, &garbage); disc_chuck(vars.onebelow, &garbage); } /* hyptrav */ void hypstates(long fullset, boolean full, boolean noroot, boolean didreroot, node2 *root, bitptr wagner, bitptr zeroanc, bitptr oneanc, pointptr2 treenode, Char *guess, gbit *garbage) { /* fill in and describe states at interior nodes */ /* used in mix & penny */ boolean unknown; bitptr dohyp; long i, j, k; for (i = 0; i < (words); i++) { zeroanc[i] = 0; oneanc[i] = 0; } unknown = false; for (i = 0; i < (chars); i++) { j = i / bits + 1; k = i % bits + 1; if (guess[i] == '0') zeroanc[j - 1] = ((long)zeroanc[j - 1]) | (1L << k); if (guess[i] == '1') oneanc[j - 1] = ((long)oneanc[j - 1]) | (1L << k); unknown = (unknown || ((((1L << k) & wagner[j - 1]) == 0) && guess[i] == '?')); } dohyp = (bitptr)Malloc(words*sizeof(long)); for (i = 0; i < (words); i++) dohyp[i] = wagner[i] | zeroanc[i] | oneanc[i]; filltrav(root, fullset, full, wagner, zeroanc); fprintf(outfile, "From To Any Steps? "); fprintf(outfile, "State at upper node\n"); fprintf(outfile, " "); fprintf(outfile, "( . means same as in the node below it on tree)\n\n"); hyptrav(root,unknown,dohyp, fullset, noroot, didreroot, wagner, zeroanc, oneanc, treenode, guess, garbage); free(dohyp); } /* hypstates */ void drawline(long i, double scale, node2 *root) { /* draws one row of the tree diagram by moving up tree */ node2 *p, *q, *r, *first =NULL, *last =NULL; long n, j; boolean extra, done; p = root; q = root; extra = false; if (i == p->ycoord && p == root) { if (p->index - spp >= 10) fprintf(outfile, "-%2ld", p->index - spp); else fprintf(outfile, "--%ld", p->index - spp); extra = true; } else fprintf(outfile, " "); do { if (!p->tip) { r = p->next; done = false; do { if (i >= r->back->ymin && i <= r->back->ymax) { q = r->back; done = true; } r = r->next; } while (!(done || r == p)); first = p->next->back; r = p->next; while (r->next != p) r = r->next; last = r->back; } done = (p == q); n = (long)(scale * (p->xcoord - q->xcoord) + 0.5); if (n < 3 && !q->tip) n = 3; if (extra) { n--; extra = false; } if (q->ycoord == i && !done) { putc('+', outfile); if (!q->tip) { for (j = 1; j <= n - 2; j++) putc('-', outfile); if (q->index - spp >= 10) fprintf(outfile, "%2ld", q->index - spp); else fprintf(outfile, "-%ld", q->index - spp); extra = true; } else { for (j = 1; j < n; j++) putc('-', outfile); } } else if (!p->tip) { if (last->ycoord > i && first->ycoord < i && i != p->ycoord) { putc('!', outfile); for (j = 1; j < n; j++) putc(' ', outfile); } else { for (j = 1; j <= n; j++) putc(' ', outfile); } } else { for (j = 1; j <= n; j++) putc(' ', outfile); } if (p != q) p = q; } while (!done); if (p->ycoord == i && p->tip) { for (j = 0; j < nmlngth; j++) putc(nayme[p->index - 1][j], outfile); } putc('\n', outfile); } /* drawline */ void printree(boolean treeprint,boolean noroot,boolean didreroot,node2 *root) { /* prints out diagram of the tree */ /* used in mix & penny */ long tipy, i; double scale; putc('\n', outfile); if (!treeprint) return; putc('\n', outfile); tipy = 1; coordinates2(root, &tipy); scale = 1.5; putc('\n', outfile); for (i = 1; i <= (tipy - down); i++) drawline(i, scale, root); if (noroot) { fprintf(outfile, "\n remember:"); if (didreroot) fprintf(outfile, " (although rooted by outgroup)"); fprintf(outfile, " this is an unrooted tree!\n"); } putc('\n', outfile); } /* printree */ void writesteps(boolean weights, steptr numsteps) { /* write number of steps */ /* used in mix & penny */ long i, j, k; if (weights) fprintf(outfile, "weighted "); fprintf(outfile, "steps in each character:\n"); fprintf(outfile, " "); for (i = 0; i <= 9; i++) fprintf(outfile, "%4ld", i); fprintf(outfile, "\n *-----------------------------------------\n"); for (i = 0; i <= (chars / 10); i++) { fprintf(outfile, "%5ld", i * 10); putc('!', outfile); for (j = 0; j <= 9; j++) { k = i * 10 + j; if (k == 0 || k > chars) fprintf(outfile, " "); else fprintf(outfile, "%4ld", numsteps[k - 1] + extras[k - 1]); } putc('\n', outfile); } putc('\n', outfile); } /* writesteps */ ./arbsrc_9167/GDE/PHYLIP/wagner.h0000644012664100000130000000236411213220011016163 0ustar arb_buildcoders /* version 3.6. (c) Copyright 1993-2000 by the University of Washington. Written by Joseph Felsenstein, Akiko Fuseki, Sean Lamont, and Andrew Keeffe. Permission is granted to copy and use this program provided no fee is charged for it and provided that this copyright notice is not removed. */ /* wagner.h: included in move, mix & penny */ #ifndef OLDC /* function prototypes */ void inputmixture(bitptr); void inputmixturenew(bitptr); void printmixture(FILE *, bitptr); void fillin(node2 *,long, boolean, bitptr, bitptr); void count(long *, bitptr, steptr, steptr); void postorder(node2 *, long, boolean, bitptr, bitptr); void cpostorder(node2 *, boolean, bitptr, steptr, steptr); void filltrav(node2 *, long, boolean, bitptr, bitptr); void hyprint(struct htrav_vars2 *,boolean,boolean,boolean,bitptr,Char *); void hyptrav(node2 *, boolean, bitptr, long, boolean, boolean, bitptr, bitptr, bitptr, pointptr2, Char *, gbit *); void hypstates(long, boolean, boolean, boolean, node2 *, bitptr, bitptr, bitptr, pointptr2, Char *, gbit *); void drawline(long, double, node2 *); void printree(boolean, boolean, boolean, node2 *); void writesteps(boolean, steptr); /* function prototypes */ #endif ./arbsrc_9167/GDE/PHYML/bionj.c0000644012664100000130000001761211213220011015662 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ /* The code below is an implementation of the building tree algorithm described in "BIONJ: an improved version of the NJ algorithm based on a simple model of sequence data." (1997) O. Gascuel. Mol Biol Evol. 14:685-95. */ #include "bionj.h" void Bionj(matrix *mat) { int x,y,i; double vxy,lx,ly,lamda,score; For(i,mat->tree->n_otu) mat->tip_node[i] = mat->tree->noeud[i]; while(mat->r > 3) { x = y = 0; vxy = .0; score = .0; Compute_Sx(mat); Best_Pair(mat,&x,&y,&score); vxy=Variance(mat,x,y); lx=Br_Length(mat,x,y); ly=Br_Length(mat,y,x); lamda=Lamda(mat,x,y,vxy); Update_Mat(mat,x,y,lx,ly,vxy,lamda); Update_Tree(mat,x,y,lx,ly,score); } Finish(mat); i=0; Init_Tree_Edges(mat->tree->noeud[0], mat->tree->noeud[0]->v[0], mat->tree,&i); } /*********************************************************/ void Bionj_Scores(matrix *mat) { int i; For(i,2*mat->n_otu-3) { if(!mat->tree->noeud[i]->tax) { mat->tree->noeud[i]->b[0]->nj_score = mat->tree->noeud[i]->score[0]; } } } /*********************************************************/ void Finish(matrix *mat) { double dxy,dxz,dyz; int x,y,z; node *nx,*ny,*nz,*new; int i; dxy = dxz = dyz = -1.; x = y = z = -1; For(i,mat->n_otu) { if(mat->on_off[i]) { if(x < 0) x=i; else if(y < 0) y = i; else if(z < 0) z = i; } } dxy = Dist(mat,x,y); dxz = Dist(mat,x,z); dyz = Dist(mat,y,z); nx = mat->tip_node[x]; ny = mat->tip_node[y]; nz = mat->tip_node[z]; new = mat->tree->noeud[mat->curr_int]; new->num = mat->curr_int; new->v[0] = nx; new->v[1] = ny; new->v[2] = nz; nx->v[0] = new; ny->v[0] = new; nz->v[0] = new; Make_Edge_Light(new,nx); Make_Edge_Light(new,ny); Make_Edge_Light(new,nz); nx->b[0]->l = .5*(dxy-dyz+dxz); ny->b[0]->l = .5*(dyz-dxz+dxy); nz->b[0]->l = .5*(dxz-dxy+dyz); new->b[0]->l = nx->b[0]->l; new->b[1]->l = ny->b[0]->l; new->b[2]->l = nz->b[0]->l; } /*********************************************************/ void Update_Mat(matrix *mat, int x, int y, double lx, double ly, double vxy, double lamda) { int i; int a,b; a = b = -1; For(i,mat->n_otu) { if((mat->on_off[i]) && (i != x) && (i != y)) { if(x > i) { a=x; b=i; } else { a=i; b=x; } mat->dist[a][b]=Dist_Red(mat,x,lx,y,ly,i,lamda); mat->dist[b][a]=Var_Red(mat,x,y,i,lamda,vxy); } } } /*********************************************************/ void Update_Tree(matrix *mat, int x, int y, double lx, double ly, double score) { node *new, *nx, *ny; nx = mat->tip_node[x]; ny = mat->tip_node[y]; new = mat->tree->noeud[mat->curr_int]; nx->v[0] = new; ny->v[0] = new; new->v[1] = nx; new->v[2] = ny; new->num = mat->curr_int; Make_Edge_Light(new,nx); Make_Edge_Light(new,ny); nx->b[0]->l = lx; ny->b[0]->l = ly; new->b[1]->l = lx; new->b[2]->l = ly; new->score[0] = score; nx->l[0] = lx; ny->l[0] = ly; new->l[1] = lx; new->l[2] = ly; mat->tip_node[x] = new; mat->on_off[y] = 0; mat->curr_int++; mat->r--; } /*********************************************************/ void Best_Pair(matrix *mat, int *x, int *y,double *score) { int i,j; double Qij,Qmin,Qmin2; double **t_Qij; t_Qij = (double **)mCalloc(mat->n_otu,sizeof(double *)); For(i,mat->n_otu) t_Qij[i] = (double *)mCalloc(mat->n_otu,sizeof(double)); Qmin = 1.e+10; Qij = Qmin; For(i,mat->n_otu) { if(mat->on_off[i]) { for(j=0;jon_off[j]) { Qij = Q_Agglo(mat,i,j); t_Qij[i][j] = Qij; if(Qij < Qmin) { *x = i; *y = j; Qmin = Qij; } } } } } Qmin2 = 1e+10; For(i,mat->n_otu) { if((i != *y) && (i != *x) && (t_Qij[*x][i] < Qmin2)) Qmin2 = t_Qij[*x][i]; } For(i,mat->n_otu) { if((i != *y) && (i != *x) && (t_Qij[i][*y] < Qmin2)) Qmin2 = t_Qij[i][*y]; } *score = fabs(Qmin2 - Qmin)/fabs(Qmin); For(i,mat->n_otu) free(t_Qij[i]); free(t_Qij); } /*********************************************************/ void Compute_Sx(matrix *mat) { int i,j; For(i,mat->n_otu) { mat->dist[i][i] = .0; if(mat->on_off[i]) { For(j,mat->n_otu) { if((i != j) && (mat->on_off[j])) { mat->dist[i][i] += Dist(mat,i,j); } } } } } /*********************************************************/ double Sum_S(matrix *mat, int i) { return mat->dist[i][i]; } /*********************************************************/ double Dist(matrix *mat, int x, int y) { if(x > y) return(mat->dist[x][y]); else return(mat->dist[y][x]); } /*********************************************************/ double Variance(matrix *mat, int x, int y) { if(x > y) { return(mat->dist[y][x]); } else { return(mat->dist[x][y]); } } /*********************************************************/ double Br_Length(matrix *mat, int x, int y) { return .5*(Dist(mat,x,y)+ (Sum_S(mat,x)-Sum_S(mat,y))/(double)(mat->r-2.)); } /*********************************************************/ double Dist_Red(matrix *mat, int x, double lx, int y, double ly, int i, double lamda) { double Dui; Dui=lamda*(Dist(mat,x,i)-lx) +(1.-lamda)*(Dist(mat,y,i)-ly); return(Dui); } /*********************************************************/ double Var_Red(matrix *mat, int x, int y, int i, double lamda, double vxy) { double Vui; Vui=lamda*(Variance(mat,x,i)) +(1.-lamda)*(Variance(mat,y,i)) -lamda*(1.-lamda)*vxy; return(Vui); } /*********************************************************/ double Lamda(matrix *mat, int x, int y, double vxy) { double lamda=0.0; int i; if(mat->method == 0) /* NJ (Saitou & Nei, 1987) */ lamda = 0.5; else /* BioNJ (Gascuel, 1997) */ { if(vxy==0.0) lamda=0.5; else { For(i,mat->n_otu) { if((x != i) && (y != i) && (mat->on_off[i])) lamda = lamda + Variance(mat,y,i) - Variance(mat,x,i); } lamda = 0.5 + lamda/(2.*(mat->r-2)*vxy); } if(lamda > 1.0) lamda = 0.5;/*1.0;*/ else if(lamda < 0.0) lamda = 0.5;/*0.0;*/ } return(lamda); } /*********************************************************/ double Q_Agglo(matrix *mat, int x, int y) { double Qxy; Qxy = .0; Qxy=(mat->r-2.)*Dist(mat,x,y) -Sum_S(mat,x) -Sum_S(mat,y); return(Qxy); } /*********************************************************/ void Bionj_Br_Length(matrix *mat) { int x; x = Bionj_Br_Length_Post(mat->tree->noeud[0], mat->tree->noeud[0]->v[0], mat); mat->tree->noeud[0]->b[0]->l = Dist(mat,0,x); } /*********************************************************/ int Bionj_Br_Length_Post(node *a, node *d, matrix *mat) { int i; if(d->tax) { return d->num; } else { int d_v1, d_v2; double lx, ly, vxy,lamda; int x,y; d_v1 = d_v2 = -1; For(i,3) if(d->v[i] != a) {(d_v1 < 0)?(d_v1 = i):(d_v2 = i);} x = Bionj_Br_Length_Post(d,d->v[d_v1],mat); y = Bionj_Br_Length_Post(d,d->v[d_v2],mat); vxy = .0; Compute_Sx(mat); vxy=Variance(mat,(x),(y)); lx=Br_Length(mat,(x),(y)); ly=Br_Length(mat,(y),(x)); lamda=Lamda(mat,(x),(y),vxy); Update_Mat(mat,(x),(y),lx,ly,vxy,lamda); d->b[d_v1]->l = lx; d->b[d_v2]->l = ly; mat->on_off[y] = 0; mat->r--; return x; } } /*********************************************************/ ./arbsrc_9167/GDE/PHYML/bionj.h0000644012664100000130000000247211213220011015665 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef NJ_H #define NJ_H #include "utilities.h" #include "optimiz.h" /*#include "tools.h"*/ void Bionj(matrix *mat); void Finish(matrix *mat); void Bionj_Scores(matrix *mat); void Compute_Sx(matrix *mat); double Sum_S(matrix *mat, int i); double Dist(matrix *mat, int x, int y); double Q_Agglo(matrix *mat, int x, int y); double Variance(matrix *mat, int x, int y); double Br_Length(matrix *mat, int x, int y); void Update_Dist(matrix *mat, int x, int y); double Lamda(matrix *mat, int x, int y, double vxy); void Best_Pair(matrix *mat, int *x, int *y, double *score); double Var_Red(matrix *mat, int x, int y, int i, double lamda, double vxy); void Update_Tree(matrix *mat, int x, int y, double lx, double ly, double score); void Update_Mat(matrix *mat, int x, int y, double lx, double ly, double vxy, double lamda); double Dist_Red(matrix *mat, int x, double lx, int y, double ly, int i, double lamda); int Bionj_Br_Length_Post(node *a, node *d, matrix *mat); void Bionj_Br_Length(matrix *mat); #endif ./arbsrc_9167/GDE/PHYML/eigen.c0000644012664100000130000005527411213220011015656 0ustar arb_buildcoders/*********************************************************** * This eigen() routine works for eigenvalue/vector analysis * for real general square matrix A * A will be destroyed * rr,ri are vectors containing eigenvalues * vr,vi are matrices containing (right) eigenvectors * * A*[vr+vi*i] = [vr+vi*i] * diag{rr+ri*i} * * Algorithm: Handbook for Automatic Computation, vol 2 * by Wilkinson and Reinsch, 1971 * most of source codes were taken from a public domain * solftware called MATCALC. * Credits: to the authors of MATCALC * * return -1 not converged * 0 no complex eigenvalues/vectors * 1 complex eigenvalues/vectors * Tianlin Wang at University of Illinois * Thu May 6 15:22:31 CDT 1993 ***************************************************************/ #include "utilities.h" #include "eigen.h" #define BASE 2 /* base of floating point arithmetic */ #define DIGITS 40 /* no. of digits to the base BASE in the fraction */ /* #define DIGITS 53 */ #define MAXITER 30 /* max2. no. of iterations to converge */ #define pos(i,j,n) ((i)*(n)+(j)) /* rr/vr : real parts of eigen values/vectors */ /* ri/vi : imaginary part s of eigen values/vectors */ int eigen(int job, double *A, int n, double *rr, double *ri, double *vr, double *vi, double *work) { /* job=0: eigen values only 1: both eigen values and eigen vectors double w[n*2]: work space */ int low,hi,i,j,k, it, istate=0; double tiny=sqrt(pow((double)BASE,(double)(1-DIGITS))), t; /* printf("EIGEN\n"); */ balance(A,n,&low,&hi,work); elemhess(job,A,n,low,hi,vr,vi, (int*)(work+n)); if (-1 == realeig(job,A,n,low,hi,rr,ri,vr,vi)) return (-1); if (job) unbalance(n,vr,vi,low,hi,work); /* sort, added by Z. Yang */ for (i=0; itiny) istate=1; } return (istate) ; } /* complex funcctions */ complex compl (double re,double im) { complex r; r.re = re; r.im = im; return(r); } complex _conj (complex a) { a.im = -a.im; return(a); } #define csize(a) (fabs(a.re)+fabs(a.im)) complex cplus (complex a, complex b) { complex c; c.re = a.re+b.re; c.im = a.im+b.im; return (c); } complex cminus (complex a, complex b) { complex c; c.re = a.re-b.re; c.im = a.im-b.im; return (c); } complex cby (complex a, complex b) { complex c; c.re = a.re*b.re-a.im*b.im ; c.im = a.re*b.im+a.im*b.re ; return (c); } complex cdiv (complex a,complex b) { double ratio, den; complex c; if (fabs(b.re) <= fabs(b.im)) { ratio = b.re / b.im; den = b.im * (1 + ratio * ratio); c.re = (a.re * ratio + a.im) / den; c.im = (a.im * ratio - a.re) / den; } else { ratio = b.im / b.re; den = b.re * (1 + ratio * ratio); c.re = (a.re + a.im * ratio) / den; c.im = (a.im - a.re * ratio) / den; } return(c); } /* complex local_cexp (complex a) */ /* { */ /* complex c; */ /* c.re = exp(a.re); */ /* if (fabs(a.im)==0) c.im = 0; */ /* else { c.im = c.re*sin(a.im); c.re*=cos(a.im); } */ /* return (c); */ /* } */ complex cfactor (complex x, double a) { complex c; c.re = a*x.re; c.im = a*x.im; return (c); } int cxtoy (complex *x, complex *y, int n) { int i; For (i,n) y[i]=x[i]; return (0); } int cmatby (complex *a, complex *b, complex *c, int n,int m,int k) /* a[n*m], b[m*k], c[n*k] ...... c = a*b */ { int i,j,i1; complex t; For (i,n) For(j,k) { for (i1=0,t=compl(0,0); i1=n */ int i,j,k, *irow=(int*) space; double xmaxsize, ee=1e-20; complex xmax, t,t1; For(i,n) { xmaxsize = 0.; for (j=i; j=0; i--) { if (irow[i] == i) continue; For(j,n) { t = x[j*m+i]; x[j*m+i] = x[j*m+irow[i]]; x[ j*m+irow[i]] = t; } } return (0); } void balance(double *mat, int n,int *low, int *hi, double *scale) { /* Balance a matrix for calculation of eigenvalues and eigenvectors */ double c,f,g,r,s; int i,j,k,l,done; /* search for rows isolating an eigenvalue and push them down */ for (k = n - 1; k >= 0; k--) { for (j = k; j >= 0; j--) { for (i = 0; i <= k; i++) { if (i != j && fabs(mat[pos(j,i,n)]) != 0) break; } if (i > k) { scale[k] = j; if (j != k) { for (i = 0; i <= k; i++) { c = mat[pos(i,j,n)]; mat[pos(i,j,n)] = mat[pos(i,k,n)]; mat[pos(i,k,n)] = c; } for (i = 0; i < n; i++) { c = mat[pos(j,i,n)]; mat[pos(j,i,n)] = mat[pos(k,i,n)]; mat[pos(k,i,n)] = c; } } break; } } if (j < 0) break; } /* search for columns isolating an eigenvalue and push them left */ for (l = 0; l <= k; l++) { for (j = l; j <= k; j++) { for (i = l; i <= k; i++) { if (i != j && fabs(mat[pos(i,j,n)]) != 0) break; } if (i > k) { scale[l] = j; if (j != l) { for (i = 0; i <= k; i++) { c = mat[pos(i,j,n)]; mat[pos(i,j,n)] = mat[pos(i,l,n)]; mat[pos(i,l,n)] = c; } for (i = l; i < n; i++) { c = mat[pos(j,i,n)]; mat[pos(j,i,n)] = mat[pos(l,i,n)]; mat[pos(l,i,n)] = c; } } break; } } if (j > k) break; } *hi = k; *low = l; /* balance the submatrix in rows l through k */ for (i = l; i <= k; i++) { scale[i] = 1; } do { for (done = 1,i = l; i <= k; i++) { for (c = 0,r = 0,j = l; j <= k; j++) { if (j != i) { c += fabs(mat[pos(j,i,n)]); r += fabs(mat[pos(i,j,n)]); } } if (c != 0 && r != 0) { g = r / BASE; f = 1; s = c + r; while (c < g) { f *= BASE; c *= BASE * BASE; } g = r * BASE; while (c >= g) { f /= BASE; c /= BASE * BASE; } if ((c + r) / f < 0.95 * s) { done = 0; g = 1 / f; scale[i] *= f; for (j = l; j < n; j++) { mat[pos(i,j,n)] *= g; } for (j = 0; j <= k; j++) { mat[pos(j,i,n)] *= f; } } } } } while (!done); } /* * Transform back eigenvectors of a balanced matrix * into the eigenvectors of the original matrix */ void unbalance(int n,double *vr,double *vi, int low, int hi, double *scale) { int i,j,k; double tmp; for (i = low; i <= hi; i++) { for (j = 0; j < n; j++) { vr[pos(i,j,n)] *= scale[i]; vi[pos(i,j,n)] *= scale[i]; } } for (i = low - 1; i >= 0; i--) { if ((k = (int)scale[i]) != i) { for (j = 0; j < n; j++) { tmp = vr[pos(i,j,n)]; vr[pos(i,j,n)] = vr[pos(k,j,n)]; vr[pos(k,j,n)] = tmp; tmp = vi[pos(i,j,n)]; vi[pos(i,j,n)] = vi[pos(k,j,n)]; vi[pos(k,j,n)] = tmp; } } } for (i = hi + 1; i < n; i++) { if ((k = (int)scale[i]) != i) { for (j = 0; j < n; j++) { tmp = vr[pos(i,j,n)]; vr[pos(i,j,n)] = vr[pos(k,j,n)]; vr[pos(k,j,n)] = tmp; tmp = vi[pos(i,j,n)]; vi[pos(i,j,n)] = vi[pos(k,j,n)]; vi[pos(k,j,n)] = tmp; } } } } /* * Reduce the submatrix in rows and columns low through hi of real matrix mat to * Hessenberg form by elementary similarity transformations */ void elemhess(int job,double *mat,int n,int low,int hi, double *vr, double *vi, int *work) { /* work[n] */ int i,j,m; double x,y; for (m = low + 1; m < hi; m++) { for (x = 0,i = m,j = m; j <= hi; j++) { if (fabs(mat[pos(j,m-1,n)]) > fabs(x)) { x = mat[pos(j,m-1,n)]; i = j; } } if ((work[m] = i) != m) { for (j = m - 1; j < n; j++) { y = mat[pos(i,j,n)]; mat[pos(i,j,n)] = mat[pos(m,j,n)]; mat[pos(m,j,n)] = y; } for (j = 0; j <= hi; j++) { y = mat[pos(j,i,n)]; mat[pos(j,i,n)] = mat[pos(j,m,n)]; mat[pos(j,m,n)] = y; } } if (x != 0) { for (i = m + 1; i <= hi; i++) { if ((y = mat[pos(i,m-1,n)]) != 0) { y = mat[pos(i,m-1,n)] = y / x; for (j = m; j < n; j++) { mat[pos(i,j,n)] -= y * mat[pos(m,j,n)]; } for (j = 0; j <= hi; j++) { mat[pos(j,m,n)] += y * mat[pos(j,i,n)]; } } } } } if (job) { for (i=0; i low; m--) { for (i = m + 1; i <= hi; i++) { vr[pos(i,m,n)] = mat[pos(i,m-1,n)]; } if ((i = work[m]) != m) { for (j = m; j <= hi; j++) { vr[pos(m,j,n)] = vr[pos(i,j,n)]; vr[pos(i,j,n)] = 0.0; } vr[pos(i,m,n)] = 1.0; } } } } /* * Calculate eigenvalues and eigenvectors of a real upper Hessenberg matrix * Return 1 if converges successfully and 0 otherwise */ int realeig(int job,double *mat,int n,int low, int hi, double *valr, double *vali, double *vr,double *vi) { complex v; double p=0,q=0,r=0,s=0,t,w,x,y,z=0,ra,sa,norm,eps; int niter,en,i,j,k,l,m; double precision = pow((double)BASE,(double)(1-DIGITS)); eps = precision; for (i=0; i hi) valr[i] = mat[pos(i,i,n)]; } t = 0; en = hi; while (en >= low) { niter = 0; for (;;) { /* look for single small subdiagonal element */ for (l = en; l > low; l--) { s = fabs(mat[pos(l-1,l-1,n)]) + fabs(mat[pos(l,l,n)]); if (s == 0) s = norm; if (fabs(mat[pos(l,l-1,n)]) <= eps * s) break; } /* form shift */ x = mat[pos(en,en,n)]; if (l == en) { /* one root found */ valr[en] = x + t; if (job) mat[pos(en,en,n)] = x + t; en--; break; } y = mat[pos(en-1,en-1,n)]; w = mat[pos(en,en-1,n)] * mat[pos(en-1,en,n)]; if (l == en - 1) { /* two roots found */ p = (y - x) / 2; q = p * p + w; z = sqrt(fabs(q)); x += t; if (job) { mat[pos(en,en,n)] = x; mat[pos(en-1,en-1,n)] = y + t; } if (q < 0) { /* complex pair */ valr[en-1] = x+p; vali[en-1] = z; valr[en] = x+p; vali[en] = -z; } else { /* real pair */ z = (p < 0) ? p - z : p + z; valr[en-1] = x + z; valr[en] = (z == 0) ? x + z : x - w / z; if (job) { x = mat[pos(en,en-1,n)]; s = fabs(x) + fabs(z); p = x / s; q = z / s; r = sqrt(p*p+q*q); p /= r; q /= r; for (j = en - 1; j < n; j++) { z = mat[pos(en-1,j,n)]; mat[pos(en-1,j,n)] = q * z + p * mat[pos(en,j,n)]; mat[pos(en,j,n)] = q * mat[pos(en,j,n)] - p*z; } for (i = 0; i <= en; i++) { z = mat[pos(i,en-1,n)]; mat[pos(i,en-1,n)] = q * z + p * mat[pos(i,en,n)]; mat[pos(i,en,n)] = q * mat[pos(i,en,n)] - p*z; } for (i = low; i <= hi; i++) { z = vr[pos(i,en-1,n)]; vr[pos(i,en-1,n)] = q*z + p*vr[pos(i,en,n)]; vr[pos(i,en,n)] = q*vr[pos(i,en,n)] - p*z; } } } en -= 2; break; } if (niter == MAXITER) return(-1); if (niter != 0 && niter % 10 == 0) { t += x; for (i = low; i <= en; i++) mat[pos(i,i,n)] -= x; s = fabs(mat[pos(en,en-1,n)]) + fabs(mat[pos(en-1,en-2,n)]); x = y = 0.75 * s; w = -0.4375 * s * s; } niter++; /* look for two consecutive small subdiagonal elements */ for (m = en - 2; m >= l; m--) { z = mat[pos(m,m,n)]; r = x - z; s = y - z; p = (r * s - w) / mat[pos(m+1,m,n)] + mat[pos(m,m+1,n)]; q = mat[pos(m+1,m+1,n)] - z - r - s; r = mat[pos(m+2,m+1,n)]; s = fabs(p) + fabs(q) + fabs(r); p /= s; q /= s; r /= s; if (m == l || fabs(mat[pos(m,m-1,n)]) * (fabs(q)+fabs(r)) <= eps * (fabs(mat[pos(m-1,m-1,n)]) + fabs(z) + fabs(mat[pos(m+1,m+1,n)])) * fabs(p)) break; } for (i = m + 2; i <= en; i++) mat[pos(i,i-2,n)] = 0; for (i = m + 3; i <= en; i++) mat[pos(i,i-3,n)] = 0; /* double QR step involving rows l to en and columns m to en */ for (k = m; k < en; k++) { if (k != m) { p = mat[pos(k,k-1,n)]; q = mat[pos(k+1,k-1,n)]; r = (k == en - 1) ? 0 : mat[pos(k+2,k-1,n)]; if ((x = fabs(p) + fabs(q) + fabs(r)) == 0) continue; p /= x; q /= x; r /= x; } s = sqrt(p*p+q*q+r*r); if (p < 0) s = -s; if (k != m) { mat[pos(k,k-1,n)] = -s * x; } else if (l != m) { mat[pos(k,k-1,n)] = -mat[pos(k,k-1,n)]; } p += s; x = p / s; y = q / s; z = r / s; q /= p; r /= p; /* row modification */ for (j = k; j <= (!job ? en : n-1); j++){ p = mat[pos(k,j,n)] + q * mat[pos(k+1,j,n)]; if (k != en - 1) { p += r * mat[pos(k+2,j,n)]; mat[pos(k+2,j,n)] -= p * z; } mat[pos(k+1,j,n)] -= p * y; mat[pos(k,j,n)] -= p * x; } j = MIN(en,k+3); /* column modification */ for (i = (!job ? l : 0); i <= j; i++) { p = x * mat[pos(i,k,n)] + y * mat[pos(i,k+1,n)]; if (k != en - 1) { p += z * mat[pos(i,k+2,n)]; mat[pos(i,k+2,n)] -= p*r; } mat[pos(i,k+1,n)] -= p*q; mat[pos(i,k,n)] -= p; } if (job) { /* accumulate transformations */ for (i = low; i <= hi; i++) { p = x * vr[pos(i,k,n)] + y * vr[pos(i,k+1,n)]; if (k != en - 1) { p += z * vr[pos(i,k+2,n)]; vr[pos(i,k+2,n)] -= p*r; } vr[pos(i,k+1,n)] -= p*q; vr[pos(i,k,n)] -= p; } } } } } if (!job) return(0); if (norm != 0) { /* back substitute to find vectors of upper triangular form */ for (en = n-1; en >= 0; en--) { p = valr[en]; if ((q = vali[en]) < 0) { /* complex vector */ m = en - 1; if (fabs(mat[pos(en,en-1,n)]) > fabs(mat[pos(en-1,en,n)])) { mat[pos(en-1,en-1,n)] = q / mat[pos(en,en-1,n)]; mat[pos(en-1,en,n)] = (p - mat[pos(en,en,n)]) / mat[pos(en,en-1,n)]; } else { v = cdiv(compl(0.0,-mat[pos(en-1,en,n)]), compl(mat[pos(en-1,en-1,n)]-p,q)); mat[pos(en-1,en-1,n)] = v.re; mat[pos(en-1,en,n)] = v.im; } mat[pos(en,en-1,n)] = 0; mat[pos(en,en,n)] = 1; for (i = en - 2; i >= 0; i--) { w = mat[pos(i,i,n)] - p; ra = 0; sa = mat[pos(i,en,n)]; for (j = m; j < en; j++) { ra += mat[pos(i,j,n)] * mat[pos(j,en-1,n)]; sa += mat[pos(i,j,n)] * mat[pos(j,en,n)]; } if (vali[i] < 0) { z = w; r = ra; s = sa; } else { m = i; if (vali[i] == 0) { v = cdiv(compl(-ra,-sa),compl(w,q)); mat[pos(i,en-1,n)] = v.re; mat[pos(i,en,n)] = v.im; } else { /* solve complex equations */ x = mat[pos(i,i+1,n)]; y = mat[pos(i+1,i,n)]; v.re = (valr[i]- p)*(valr[i]-p) + vali[i]*vali[i] - q*q; v.im = (valr[i] - p)*2*q; if ((fabs(v.re) + fabs(v.im)) == 0) { v.re = eps * norm * (fabs(w) + fabs(q) + fabs(x) + fabs(y) + fabs(z)); } v = cdiv(compl(x*r-z*ra+q*sa,x*s-z*sa-q*ra),v); mat[pos(i,en-1,n)] = v.re; mat[pos(i,en,n)] = v.im; if (fabs(x) > fabs(z) + fabs(q)) { mat[pos(i+1,en-1,n)] = (-ra - w * mat[pos(i,en-1,n)] + q * mat[pos(i,en,n)]) / x; mat[pos(i+1,en,n)] = (-sa - w * mat[pos(i,en,n)] - q * mat[pos(i,en-1,n)]) / x; } else { v = cdiv(compl(-r-y*mat[pos(i,en-1,n)], -s-y*mat[pos(i,en,n)]),compl(z,q)); mat[pos(i+1,en-1,n)] = v.re; mat[pos(i+1,en,n)] = v.im; } } } } } else if (q == 0) { /* real vector */ m = en; mat[pos(en,en,n)] = 1; for (i = en - 1; i >= 0; i--) { w = mat[pos(i,i,n)] - p; r = mat[pos(i,en,n)]; for (j = m; j < en; j++) { r += mat[pos(i,j,n)] * mat[pos(j,en,n)]; } if (vali[i] < 0) { z = w; s = r; } else { m = i; if (vali[i] == 0) { if ((t = w) == 0) t = eps * norm; mat[pos(i,en,n)] = -r / t; } else { /* solve real equations */ x = mat[pos(i,i+1,n)]; y = mat[pos(i+1,i,n)]; q = (valr[i] - p) * (valr[i] - p) + vali[i]*vali[i]; t = (x * s - z * r) / q; mat[pos(i,en,n)] = t; if (fabs(x) <= fabs(z)) { mat[pos(i+1,en,n)] = (-s - y * t) / z; } else { mat[pos(i+1,en,n)] = (-r - w * t) / x; } } } } } } /* vectors of isolated roots */ for (i = 0; i < n; i++) { if (i < low || i > hi) { for (j = i; j < n; j++) { vr[pos(i,j,n)] = mat[pos(i,j,n)]; } } } /* multiply by transformation matrix */ for (j = n-1; j >= low; j--) { m = MIN(j,hi); for (i = low; i <= hi; i++) { for (z = 0,k = low; k <= m; k++) { z += vr[pos(i,k,n)] * mat[pos(k,j,n)]; } vr[pos(i,j,n)] = z; } } } /* rearrange complex eigenvectors */ for (j = 0; j < n; j++) { if (vali[j] != 0) { for (i = 0; i < n; i++) { vi[pos(i,j,n)] = vr[pos(i,j+1,n)]; vr[pos(i,j+1,n)] = vr[pos(i,j,n)]; vi[pos(i,j+1,n)] = -vi[pos(i,j,n)]; } j++; } } return(0); } ./arbsrc_9167/GDE/PHYML/eigen.h0000644012664100000130000000221411213220011015645 0ustar arb_buildcoders#ifndef EIGEN_H #define EIGEN_H int eigen(int job, double *A, int n, double *rr, double *ri, double *vr, double *vi, double *w); void balance(double *mat, int n, int *low, int *hi, double *scale); void unbalance(int n, double *vr, double *vi, int low, int hi, double *scale); int realeig(int job, double *mat, int n,int low, int hi, double *valr, double *vali, double *vr, double *vi); void elemhess(int job, double *mat, int n, int low, int hi, double *vr, double *vi, int *work); /* complex functions */ typedef struct { double re, im; } complex; #define csize(a) (fabs(a.re)+fabs(a.im)) complex compl (double re,double im); complex _conj (complex a); complex cplus (complex a, complex b); complex cminus (complex a, complex b); complex cby (complex a, complex b); complex cdiv (complex a,complex b); /* complex local_cexp (complex a); */ complex cfactor (complex x, double a); int cxtoy (complex *x, complex *y, int n); int cmatby (complex *a, complex *b, complex *c, int n,int m,int k); int cmatout (FILE * fout, complex *x, int n, int m); int cmatinv( complex *x, int n, int m, double *space); #endif ./arbsrc_9167/GDE/PHYML/free.c0000644012664100000130000001705011213220011015476 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "free.h" /*********************************************************/ void Free_All_Nodes_Light(arbre *tree) { int i; For(i,2*tree->n_otu-2) Free_Node(tree->noeud[i]); } /*********************************************************/ void Free_All_Edges_Light(arbre *tree) { int i; For(i,2*tree->n_otu-3) if(tree->t_edges[i]) Free_Edge(tree->t_edges[i]); } /*********************************************************/ void Free_Mat(matrix *mat) { int i; For(i,mat->n_otu) { Free(mat->P[i]); Free(mat->Q[i]); Free(mat->dist[i]); Free(mat->name[i]); } Free(mat->P); Free(mat->Q); Free(mat->dist); Free(mat->name); Free(mat->tip_node); Free(mat->on_off); Free(mat); } /*********************************************************/ void Free_Partial_Lk(double ****p_lk, int len, int n_catg) { int i,j; For(i,len) { For(j,n_catg) Free((*p_lk)[i][j]); Free((*p_lk)[i]); } Free((*p_lk)); (*p_lk) = NULL; } /*********************************************************/ void Free_Tree(arbre *tree) { int i,j,k; edge *b; node *n; if(tree->has_bip) { For(i,2*tree->n_otu-2) { Free(tree->noeud[i]->bip_size); For(j,3) { Free(tree->noeud[i]->bip_node[j]); For(k,tree->n_otu) Free(tree->noeud[i]->bip_name[j][k]); Free(tree->noeud[i]->bip_name[j]); } Free(tree->noeud[i]->bip_node); Free(tree->noeud[i]->bip_name); } } For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; Free_Edge(b); } Free(tree->t_edges); For(i,2*tree->n_otu-2) { n = tree->noeud[i]; Free_Node(n); } Free(tree->noeud); Free(tree); } /*********************************************************/ void Free_Edge(edge *b) { Free(b); } /*********************************************************/ void Free_Node(node *n) { Free(n->b); Free(n->v); Free(n->l); Free(n->score); Free(n->name); /* Free(n->n_ex_nodes); */ Free(n); } /*********************************************************/ void Free_Cseq(allseq *data) { int i; Free(data->invar); Free(data->wght); Free(data->ambigu); Free(data->b_frq); Free(data->sitepatt); For(i,data->n_otu) { Free(data->c_seq[i]->name); Free(data->c_seq[i]->state); Free(data->c_seq[i]); } Free(data->c_seq); Free(data); } /*********************************************************/ void Free_Seq(seq **d, int n_otu) { int i; For(i,n_otu) { Free(d[i]->name); Free(d[i]->state); Free(d[i]); } Free(d); } /*********************************************************/ void Free_All(seq **d, allseq *alldata, arbre *tree) { Free_Cseq(alldata); Free_Seq(d,tree->n_otu); Free_Tree(tree); } /*********************************************************/ void Free_SubTree(edge *b_fcus, node *a, node *d, arbre *tree) { int i; if(d->tax) return; else { For(i,3) { if(d->v[i] != a) { Free_SubTree(d->b[i],d,d->v[i],tree); Free_Edge(d->b[i]); Free_Node(d->v[i]); } } } } /*********************************************************/ void Free_Tree_Ins_Tar(arbre *tree) { return; } /*********************************************************/ void Free_Tree_Lk(arbre *tree) { int i; edge *b; node *n; b = NULL; n = NULL; Free(tree->tot_loglk_sorted); Free(tree->tot_dloglk); Free(tree->tot_d2loglk); Free(tree->site_lk); For(i,tree->mod->n_catg) Free(tree->log_site_lk_cat[i]); Free(tree->log_site_lk_cat); For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; Free_Edge_Lk(tree,b); } } /*********************************************************/ void Free_dPij(arbre *tree) { int i,j,k; For(i,2*tree->n_otu-3) { For(j,tree->mod->n_catg) { For(k,tree->mod->ns) { Free(tree->t_edges[i]->dPij_rr[j][k]); Free(tree->t_edges[i]->d2Pij_rr[j][k]); } Free(tree->t_edges[i]->dPij_rr[j]); Free(tree->t_edges[i]->d2Pij_rr[j]); } Free(tree->t_edges[i]->dPij_rr); Free(tree->t_edges[i]->d2Pij_rr); tree->t_edges[i]->dPij_rr = NULL; tree->t_edges[i]->d2Pij_rr = NULL; } } /*********************************************************/ void Free_Edge_P_Lk_Struct(edge *b, arbre *tree) { int i,j; if(b->p_lk_left) { For(i,tree->data->crunch_len) { For(j,tree->mod->n_catg) Free(b->p_lk_left[i][j]); Free(b->p_lk_left[i]); } Free(b->p_lk_left); b->p_lk_left = NULL; } if(b->p_lk_rght) { For(i,tree->data->crunch_len) { For(j,tree->mod->n_catg) Free(b->p_lk_rght[i][j]); Free(b->p_lk_rght[i]); } Free(b->p_lk_rght); b->p_lk_rght = NULL; } } /*********************************************************/ void Free_Node_Lk(node *n) { /* Free(n->n_ex_nodes); */ } /*********************************************************/ void Free_Edge_Lk(arbre *tree, edge *b) { int i,j; Free(b->ql); if(b->p_lk_left) { For(i,tree->data->crunch_len) { For(j,tree->mod->n_catg) { Free(b->p_lk_left[i][j]); } Free(b->p_lk_left[i]); } Free(b->p_lk_left); Free(b->sum_scale_f_left); } if(b->p_lk_rght) { For(i,tree->data->crunch_len) { For(j,tree->mod->n_catg) { Free(b->p_lk_rght[i][j]); } Free(b->p_lk_rght[i]); } Free(b->p_lk_rght); Free(b->sum_scale_f_rght); } For(i,tree->mod->n_catg) { For(j,tree->mod->ns) { Free(b->Pij_rr[i][j]); Free(b->dPij_rr[i][j]); Free(b->d2Pij_rr[i][j]); } Free(b->Pij_rr[i]); Free(b->dPij_rr[i]); Free(b->d2Pij_rr[i]); Free(b->site_p_lk_left[i]); Free(b->site_p_lk_rght[i]); } Free(b->Pij_rr); Free(b->dPij_rr); Free(b->d2Pij_rr); Free(b->site_p_lk_left); Free(b->site_p_lk_rght); Free(b->site_dlk_rr); Free(b->site_d2lk_rr); } /*********************************************************/ void Free_Model(model *mod) { int i,j; Free(mod->custom_mod_string); Free(mod->user_b_freq); For(i,6) Free(mod->rr_param_num[i]); Free(mod->rr_param_num); Free(mod->rr_param); Free(mod->rr_param_values); Free(mod->n_rr_param_per_cat); Free(mod->s_opt); Free(mod->pi); Free(mod->r_proba); Free(mod->rr); Free(mod->mat_Q); Free(mod->mat_Vr); Free(mod->mat_Vi); Free(mod->vct_eDmr); Free(mod->vct_ev); For(i,mod->n_catg) { For(j,mod->ns) Free(mod->Pij_rr[i][j]); Free(mod->Pij_rr[i]); } Free(mod->Pij_rr); For(i,mod->n_catg) { For(j,mod->ns) Free(mod->dPij_rr[i][j]); Free(mod->dPij_rr[i]); } Free(mod->dPij_rr); For(i,mod->n_catg) { For(j,mod->ns) Free(mod->d2Pij_rr[i][j]); Free(mod->d2Pij_rr[i]); } Free(mod->d2Pij_rr); Free(mod); } /*********************************************************/ void Free(void *p) { free(p); } /*********************************************************/ void Free_Input(option *input) { Free(input->seqfile); Free(input->modelname); Free(input->inputtreefile); Free(input->phyml_stat_file); Free(input->phyml_tree_file); Free(input->phyml_lk_file); Free(input->nt_or_cd); Free(input); } /*********************************************************/ ./arbsrc_9167/GDE/PHYML/free.h0000644012664100000130000000211311213220011015475 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef FREE_H #define FREE_H void Free_All_Nodes_Light(arbre *tree); void Free_All_Edges_Light(arbre *tree); void Free_Mat(matrix *mat); void Free_Partial_Lk(double ****p_lk, int len, int n_catg); void Free_Tree(arbre *tree); void Free_Edge(edge *b); void Free_Node(node *n); void Free_Cseq(allseq *alldata); void Free_Seq(seq **d, int n_otu); void Free_All(seq **d, allseq *alldata, arbre *tree); void Free_SubTree(edge *b_fcus, node *a, node *d, arbre *tree); void Free_Tree_Ins_Tar(arbre *tree); void Free_Tree_Lk(arbre *tree); void Free_dPij(arbre *tree); void Free_NNI(arbre *tree); void Free_Edge_P_Lk_Struct(edge *b, arbre *tree); void Free_Node_Lk(node *n); void Free_Edge_Lk(arbre *tree, edge *b); void Free_Model(model *mod); void Free(void *p); void Free_Input(option *input); #endif ./arbsrc_9167/GDE/PHYML/lk.c0000644012664100000130000010100511213220011015155 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "lk.h" #include "optimiz.h" #include "models.h" #include "free.h" /* int LIM_SCALE; */ /* double LIM_SCALE_VAL; */ /* double MDBL_MAX; */ /* double MDBL_MIN; */ /*********************************************************/ void Init_Tips_At_One_Site_Nucleotides(char state, double **p_lk) { switch(state){ case 'A' : (*p_lk)[0]=1.; (*p_lk)[1]=(*p_lk)[2]=(*p_lk)[3]=.0; break; case 'C' : (*p_lk)[1]=1.; (*p_lk)[0]=(*p_lk)[2]=(*p_lk)[3]=.0; break; case 'G' : (*p_lk)[2]=1.; (*p_lk)[1]=(*p_lk)[0]=(*p_lk)[3]=.0; break; case 'T' : (*p_lk)[3]=1.; (*p_lk)[1]=(*p_lk)[2]=(*p_lk)[0]=.0; break; case 'U' : (*p_lk)[3]=1.; (*p_lk)[1]=(*p_lk)[2]=(*p_lk)[0]=.0; break; case 'M' : (*p_lk)[0]=(*p_lk)[1]=1.; (*p_lk)[2]=(*p_lk)[3]=.0; break; case 'R' : (*p_lk)[0]=(*p_lk)[2]=1.; (*p_lk)[1]=(*p_lk)[3]=.0; break; case 'W' : (*p_lk)[0]=(*p_lk)[3]=1.; (*p_lk)[1]=(*p_lk)[2]=.0; break; case 'S' : (*p_lk)[1]=(*p_lk)[2]=1.; (*p_lk)[0]=(*p_lk)[3]=.0; break; case 'Y' : (*p_lk)[1]=(*p_lk)[3]=1.; (*p_lk)[0]=(*p_lk)[2]=.0; break; case 'K' : (*p_lk)[2]=(*p_lk)[3]=1.; (*p_lk)[0]=(*p_lk)[1]=.0; break; case 'B' : (*p_lk)[1]=(*p_lk)[2]=(*p_lk)[3]=1.; (*p_lk)[0]=.0; break; case 'D' : (*p_lk)[0]=(*p_lk)[2]=(*p_lk)[3]=1.; (*p_lk)[1]=.0; break; case 'H' : (*p_lk)[0]=(*p_lk)[1]=(*p_lk)[3]=1.; (*p_lk)[2]=.0; break; case 'V' : (*p_lk)[0]=(*p_lk)[1]=(*p_lk)[2]=1.; (*p_lk)[3]=.0; break; case 'N' : case 'X' : case '?' : case 'O' : case '-' : (*p_lk)[0]=(*p_lk)[1]=(*p_lk)[2]=(*p_lk)[3]=1.;break; default : { printf("\n. Unknown character state : %c\n",state); Exit("\n. Init failed (check the data type)\n"); break; } } } /*********************************************************/ void Init_Tips_At_One_Site_AA(char aa, double **p_lk) { int i; For(i,20) (*p_lk)[i] = .0; switch(aa){ case 'A' : (*p_lk)[0]= 1.; break;/* Alanine */ case 'R' : (*p_lk)[1]= 1.; break;/* Arginine */ case 'N' : (*p_lk)[2]= 1.; break;/* Asparagine */ case 'D' : (*p_lk)[3]= 1.; break;/* Aspartic acid */ case 'C' : (*p_lk)[4]= 1.; break;/* Cysteine */ case 'Q' : (*p_lk)[5]= 1.; break;/* Glutamine */ case 'E' : (*p_lk)[6]= 1.; break;/* Glutamic acid */ case 'G' : (*p_lk)[7]= 1.; break;/* Glycine */ case 'H' : (*p_lk)[8]= 1.; break;/* Histidine */ case 'I' : (*p_lk)[9]= 1.; break;/* Isoleucine */ case 'L' : (*p_lk)[10]=1.; break;/* Leucine */ case 'K' : (*p_lk)[11]=1.; break;/* Lysine */ case 'M' : (*p_lk)[12]=1.; break;/* Methionine */ case 'F' : (*p_lk)[13]=1.; break;/* Phenylalanin */ case 'P' : (*p_lk)[14]=1.; break;/* Proline */ case 'S' : (*p_lk)[15]=1.; break;/* Serine */ case 'T' : (*p_lk)[16]=1.; break;/* Threonine */ case 'W' : (*p_lk)[17]=1.; break;/* Tryptophan */ case 'Y' : (*p_lk)[18]=1.; break;/* Tyrosine */ case 'V' : (*p_lk)[19]=1.; break;/* Valine */ case 'B' : (*p_lk)[2]= 1.; break;/* Asparagine */ case 'Z' : (*p_lk)[5]= 1.; break;/* Glutamine */ case 'X' : case '?' : case '-' : For(i,20) (*p_lk)[i] = 1.; break; default : { printf("\n. Unknown character state : %c\n",aa); Exit("\n. Init failed (check the data type)\n"); break; } } } /*********************************************************/ void Get_All_Partial_Lk(arbre *tree, edge *b_fcus, node *a, node *d) { int i,j; double p1_lk1,p2_lk2; double ***p_lk,***p_lk_v1,***p_lk_v2; int catg,site; double ***Pij1,***Pij2; if(d->tax) return; else { int dir1,dir2; dir1=dir2=-1; For(i,3) if(d->v[i] != a) (dir1<0)?(dir1=i):(dir2=i); if(b_fcus->l < BL_MIN) b_fcus->l = BL_MIN; p_lk = (d == b_fcus->left)? (b_fcus->p_lk_left): (b_fcus->p_lk_rght); p_lk_v1 = (d == d->b[dir1]->left)? (d->b[dir1]->p_lk_rght): (d->b[dir1]->p_lk_left); p_lk_v2 = (d == d->b[dir2]->left)? (d->b[dir2]->p_lk_rght): (d->b[dir2]->p_lk_left); Pij1 = d->b[dir1]->Pij_rr; Pij2 = d->b[dir2]->Pij_rr; For(catg,tree->mod->n_catg) { For(site,tree->n_pattern) { For(i,tree->mod->ns) /*sort sum terms ? No global effect*/ { p1_lk1 = p2_lk2 = .0; For(j,tree->mod->ns) { p1_lk1 += (Pij1[catg][i][j] * p_lk_v1[site][catg][j]); p2_lk2 += (Pij2[catg][i][j] * p_lk_v2[site][catg][j]); } p_lk[site][catg][i] = p1_lk1*p2_lk2; if(p_lk[site][catg][i] < MDBL_MIN) { printf("\nWARNING : scaling is required at site %d\n",site); /* printf("Alpha = %f\n",tree->mod->alpha); */ /* Exit(""); */ } } } } } } /*********************************************************/ void Get_All_Partial_Lk_Scale(arbre *tree, edge *b_fcus, node *a, node *d) { int i,j; double p1_lk1,p2_lk2; double ***p_lk,***p_lk_v1,***p_lk_v2; int catg,site; double ***Pij1,***Pij2; double max_p_lk; /* double min_p_lk; */ double sum_scale_d1,sum_scale_d2; double try; p1_lk1 = p2_lk2 = .0; if(d->tax) return; else { int dir1,dir2; dir1=dir2=-1; For(i,3) if(d->v[i] != a) (dir1<0)?(dir1=i):(dir2=i); if(b_fcus->l < BL_MIN) b_fcus->l = BL_MIN; p_lk = (d == b_fcus->left)? (b_fcus->p_lk_left): (b_fcus->p_lk_rght); p_lk_v1 = (d == d->b[dir1]->left)? (d->b[dir1]->p_lk_rght): (d->b[dir1]->p_lk_left); p_lk_v2 = (d == d->b[dir2]->left)? (d->b[dir2]->p_lk_rght): (d->b[dir2]->p_lk_left); Pij1 = d->b[dir1]->Pij_rr; Pij2 = d->b[dir2]->Pij_rr; For(site,tree->n_pattern) { sum_scale_d1 = sum_scale_d2 = .0; (d == d->b[dir1]->left)? (sum_scale_d1 = d->b[dir1]->sum_scale_f_rght[site]): (sum_scale_d1 = d->b[dir1]->sum_scale_f_left[site]); (d == d->b[dir2]->left)? (sum_scale_d2 = d->b[dir2]->sum_scale_f_rght[site]): (sum_scale_d2 = d->b[dir2]->sum_scale_f_left[site]); (d == b_fcus->left)? (b_fcus->sum_scale_f_left[site] = sum_scale_d1 + sum_scale_d2): (b_fcus->sum_scale_f_rght[site] = sum_scale_d1 + sum_scale_d2); /* min_p_lk = MDBL_MAX; */ max_p_lk = MDBL_MIN; For(catg,tree->mod->n_catg) { For(i,tree->mod->ns) /*sort sum terms ? No global effect*/ { p1_lk1 = p2_lk2 = .0; For(j,tree->mod->ns) { p1_lk1 += (Pij1[catg][i][j] * p_lk_v1[site][catg][j]); p2_lk2 += (Pij2[catg][i][j] * p_lk_v2[site][catg][j]); } try = p1_lk1*p2_lk2; p_lk[site][catg][i]=try; if((p_lk[site][catg][i] > max_p_lk)) max_p_lk = p_lk[site][catg][i]; /* if((p_lk[site][catg][i] < min_p_lk)) min_p_lk = p_lk[site][catg][i]; */ } } if(max_p_lk < LIM_SCALE_VAL) { For(catg,tree->mod->n_catg) { For(i,tree->mod->ns) { p_lk[site][catg][i] /= max_p_lk; if(p_lk[site][catg][i] > MDBL_MAX) { Exit("\n. Numerical underflow ! (send me an e-mail : s.guindon@auckland.ac.nz)\n"); /* p_lk[site][catg][i] = p_lk[site][catg-1][i] ; */ } } } (d == b_fcus->left)? (b_fcus->sum_scale_f_left[site] += log(max_p_lk)): (b_fcus->sum_scale_f_rght[site] += log(max_p_lk)); } if(max_p_lk > (1./LIM_SCALE_VAL)) { For(catg,tree->mod->n_catg) { For(i,tree->mod->ns) { p_lk[site][catg][i] /= max_p_lk; if(p_lk[site][catg][i] < MDBL_MIN) { Exit("\n. Numerical overflow ! (send me an e-mail : s.guindon@auckland.ac.nz)\n"); /* p_lk[site][catg][i] = p_lk[site][catg-1][i] ; */ } } } (d == b_fcus->left)? (b_fcus->sum_scale_f_left[site] += log(max_p_lk)): (b_fcus->sum_scale_f_rght[site] += log(max_p_lk)); } } } } /*********************************************************/ void Post_Order_Lk(node *pere, node *fils, arbre *tree) { int i,dir1,dir2,dir3; dir1 = dir2 = dir3 = -1; if(fils->tax) return; else { For(i,3) { if(fils->v[i] != pere) { Post_Order_Lk(fils,fils->v[i],tree); if(dir1 < 0) dir1 = i; else dir2 = i; } else dir3 = i; } (tree->n_otu > LIM_SCALE)? (Get_All_Partial_Lk_Scale(tree,fils->b[dir3],pere,fils)): (Get_All_Partial_Lk(tree,fils->b[dir3],pere,fils)); } } /*********************************************************/ void Pre_Order_Lk(node *pere, node *fils, arbre *tree) { int i,j,dir1,dir2; dir1 = dir2 = -1; if(fils->tax) return; else { For(i,3) { if(fils->v[i] != pere) { For(j,3) { if(j != i) { if(dir1 < 0) dir1 = j; else dir2 = j; } } (tree->n_otu > LIM_SCALE)? (Get_All_Partial_Lk_Scale(tree,fils->b[i],fils->v[i],fils)): (Get_All_Partial_Lk(tree,fils->b[i],fils->v[i],fils)); dir1 = dir2 = -1; Pre_Order_Lk(fils,fils->v[i],tree); } } } } /*********************************************************/ void Lk(arbre *tree,allseq *alldata) { int br,site,catg; double len; Set_Model_Parameters(tree); For(br,2*tree->n_otu-3) { For(site,tree->n_pattern) { tree->t_edges[br]->sum_scale_f_rght[site] = .0; tree->t_edges[br]->sum_scale_f_left[site] = .0; } if(tree->t_edges[br]->l < BL_MIN) tree->t_edges[br]->l = BL_MIN; if(tree->t_edges[br]->l > BL_MAX) tree->t_edges[br]->l = BL_MAX; For(catg,tree->mod->n_catg) { len = tree->t_edges[br]->l*tree->mod->rr[catg]; if(len < BL_MIN) len = BL_MIN; PMat(len, tree->mod, &tree->t_edges[br]->Pij_rr[catg]); } } Post_Order_Lk(tree->noeud[0],tree->noeud[0]->v[0],tree); if(tree->both_sides) Pre_Order_Lk(tree->noeud[0], tree->noeud[0]->v[0], tree); tree->tot_loglk = .0; tree->curr_catg = 0; tree->curr_site = 0; For(site,tree->n_pattern) { tree->tot_loglk_sorted[site] = .0; tree->site_lk[site] = .0; tree->curr_site = site; Site_Lk(tree,alldata); } qksort(tree->tot_loglk_sorted, 0, tree->n_pattern-1); /* qsort(tree->tot_loglk_sorted,tree->n_pattern,sizeof(double),Sort_Double_Decrease); */ tree->tot_loglk = .0; For(site, tree->n_pattern) { if(tree->tot_loglk_sorted[site] < .0) /* WARNING : change cautiously */ tree->tot_loglk += tree->tot_loglk_sorted[site]; } For(br,2*tree->n_otu-3) { if(tree->t_edges[br]->get_p_lk_left) tree->t_edges[br]->ud_p_lk_left = 1; if(tree->t_edges[br]->get_p_lk_rght) tree->t_edges[br]->ud_p_lk_rght = 1; } } /*********************************************************/ void Site_Lk(arbre *tree, allseq *alldata) { int j,k,l,m; double *site_dlk=NULL, *site_d2lk=NULL; double log_site_lk,site_lk,site_lk_previous,aux; int left; edge *eroot; int is_ambigu; int state_root, state_elsewhere, site = tree->curr_site; if(alldata->wght[site] < MDBL_MIN) { tree->tot_loglk_sorted[tree->curr_site] = 1.; /* WARNING : change cautiously */ return; } if(tree->mod->s_opt->opt_bl) { site_dlk = (double *)mCalloc(2*tree->n_otu-3,sizeof(double)); site_d2lk = (double *)mCalloc(2*tree->n_otu-3,sizeof(double)); } eroot = tree->noeud[0]->b[0]; (eroot->rght->tax)?(left=1):(left=0); /* state = tree->data->invar[site]; */ is_ambigu = alldata->ambigu[site]; state_root = -1; state_root = Assign_State(alldata->c_seq[eroot->rght->num]->state + site, tree->mod->datatype, tree->mod->stepsize); state_elsewhere = -1; state_elsewhere = tree->data->invar[site]; /**/ /* is_ambigu = 1; */ /**/ if(tree->mod->s_opt->opt_bl) For(j,2*tree->n_otu-3) site_dlk[j] = site_d2lk[j] = 0.0; log_site_lk = site_lk = .0; site_lk_previous = .0; For(j,tree->mod->n_catg) { if(is_ambigu) { For(k,tree->mod->ns) /*sort sum terms ? No global effect*/ { For(l,tree->mod->ns) { site_lk += tree->mod->r_proba[j] * tree->mod->pi[k] * eroot->p_lk_left[site][j][k] * eroot->Pij_rr[j][k][l] * eroot->p_lk_rght[site][j][l]; } } } else { For(k,tree->mod->ns) /*sort sum terms ? No global effect*/ { site_lk += tree->mod->r_proba[j] * tree->mod->pi[k] * eroot->p_lk_left[site][j][k] * eroot->Pij_rr[j][k][state_root]; } } tree->log_site_lk_cat[j][tree->curr_site] = (site_lk/tree->mod->r_proba[j] - site_lk_previous); site_lk_previous = site_lk/tree->mod->r_proba[j]; if(tree->mod->s_opt->opt_bl) { For(k,2*tree->n_otu-3) { tree->t_edges[k]->site_dlk_rr[j] = .0; tree->t_edges[k]->site_d2lk_rr[j] = .0; For(l,tree->mod->ns) /*sort sum terms ? No global effect*/ { For(m,tree->mod->ns) { tree->t_edges[k]->site_dlk_rr[j] += tree->mod->pi[l] * tree->t_edges[k]->p_lk_left[site][j][l]* tree->t_edges[k]->p_lk_rght[site][j][m]* tree->t_edges[k]->dPij_rr[j][l][m]; tree->t_edges[k]->site_d2lk_rr[j] += tree->mod->pi[l] * tree->t_edges[k]->p_lk_left[site][j][l]* tree->t_edges[k]->p_lk_rght[site][j][m]* tree->t_edges[k]->d2Pij_rr[j][l][m]; } } site_dlk[k] += tree->t_edges[k]->site_dlk_rr[j]* tree->mod->r_proba[j]; site_d2lk[k] += tree->t_edges[k]->site_d2lk_rr[j]* tree->mod->r_proba[j]; } } } /* code 2.3 begin*/ if (!tree->mod->invar) { log_site_lk += log(site_lk) + eroot->sum_scale_f_left[site] + eroot->sum_scale_f_rght[site]; } else { if ((double)tree->data->invar[site] > -0.5) { if (!(eroot->sum_scale_f_left[site] + eroot->sum_scale_f_rght[site]==0.0)) site_lk *= exp(eroot->sum_scale_f_left[site] + eroot->sum_scale_f_rght[site]); log_site_lk = log(site_lk*(1.0-tree->mod->pinvar) + tree->mod->pinvar*tree->mod->pi[state_elsewhere]); } else { log_site_lk = log(site_lk*(1.0-tree->mod->pinvar)) + eroot->sum_scale_f_left[site] + eroot->sum_scale_f_rght[site]; } } For(j,tree->mod->n_catg) tree->log_site_lk_cat[j][tree->curr_site] = log(tree->log_site_lk_cat[j][tree->curr_site]) + + eroot->sum_scale_f_left[site] + eroot->sum_scale_f_rght[site]; /* code 2.3 end*/ if(log_site_lk < -MDBL_MAX) { printf("%d %E %f %f %f %f\n", site, log_site_lk, tree->mod->alpha, eroot->sum_scale_f_left[site], eroot->sum_scale_f_rght[site], tree->mod->pinvar); Exit("\nlog_site_lk < -MDBL_MAX\n"); } tree->site_lk[site] = log_site_lk; if(tree->mod->s_opt->opt_bl) { For(k,2*tree->n_otu-3) { aux = exp(tree->t_edges[k]->sum_scale_f_rght[site]+ tree->t_edges[k]->sum_scale_f_left[site]); site_dlk[k] *= aux; site_d2lk[k] *= aux; tree->t_edges[k]->site_dlk = site_dlk[k]; tree->t_edges[k]->site_d2lk = site_d2lk[k]; } } /* tree->tot_loglk += alldata->wght[site]*log_site_lk; */ tree->tot_loglk_sorted[site] = alldata->wght[site]*log_site_lk; if((tree->mod->s_opt->opt_bl) && (fabs(site_lk = exp(log_site_lk)) > sqrt(MDBL_MIN))) { For(k,2*tree->n_otu-3) { aux = site_dlk[k] / site_lk; tree->tot_dloglk[k] += alldata->wght[site] * aux; tree->tot_d2loglk[k] += alldata->wght[site] * (site_d2lk[k]/site_lk - aux*aux); } } if(tree->mod->s_opt->opt_bl) { Free(site_dlk); Free(site_d2lk); } } /*********************************************************/ double Lk_At_Given_Edge(arbre *tree, edge *b_fcus) { int site,catg,k,l,edge_num, ns = tree->mod->ns; double site_lk,log_site_lk,site_dlk,site_d2lk,aux; edge_num = b_fcus->num; tree->tot_loglk = log_site_lk = .0; tree->tot_dloglk[edge_num] = tree->tot_d2loglk[edge_num] = .0; tree->n_pattern = tree->data->crunch_len/tree->mod->stepsize; if(b_fcus->l < BL_MIN) b_fcus->l = BL_MIN; if(b_fcus->l > BL_MAX) b_fcus->l = BL_MAX; For(catg,tree->mod->n_catg) { aux = b_fcus->l*tree->mod->rr[catg]; if(aux < BL_MIN) aux = BL_MIN; PMat(aux, tree->mod,&b_fcus->Pij_rr[catg]); } if((tree->mod->s_opt->opt_bl) && (tree->mod->datatype == NT)) { For(catg,tree->mod->n_catg) { dPMat(tree->t_edges[edge_num]->l, tree->mod->rr[catg], tree->mod, &b_fcus->dPij_rr[catg]); d2PMat(tree->t_edges[edge_num]->l, tree->mod->rr[catg], tree->mod, &b_fcus->d2Pij_rr[catg]); } } For(site,tree->data->crunch_len) { if(tree->data->wght[site]) { log_site_lk = site_lk = .0; /* see equation (2) in phyml_tech_doc.pdf */ For(catg,tree->mod->n_catg) { For(k,ns) /*sort sum terms ? No global effect*/ { For(l,ns) { site_lk += tree->mod->r_proba[catg] * tree->mod->pi[k] * b_fcus->p_lk_left[site][catg][k] * b_fcus->p_lk_rght[site][catg][l] * b_fcus->Pij_rr[catg][k][l]; } } } /* code 2.3 begin*//* see equations in phyml_tech_doc.pdf */ /* compute log_site_lk */ if (!tree->mod->invar) { log_site_lk += log(site_lk) + b_fcus->sum_scale_f_left[site] + b_fcus->sum_scale_f_rght[site]; } else { if ((double)tree->data->invar[site] > -0.5) { if (!(b_fcus->sum_scale_f_left[site] + b_fcus->sum_scale_f_rght[site]==0.0)) site_lk *= exp(b_fcus->sum_scale_f_left[site] + b_fcus->sum_scale_f_rght[site]); log_site_lk = log(site_lk*(1.0-tree->mod->pinvar) + tree->mod->pinvar*tree->mod->pi[tree->data->invar[site]]); } else { log_site_lk = log(site_lk*(1.0-tree->mod->pinvar)) + b_fcus->sum_scale_f_left[site] + b_fcus->sum_scale_f_rght[site]; } } /* code 2.3 end*/ if(log_site_lk < -MDBL_MAX) Exit("\nlog_site_lk < -MDBL_MAX\n"); tree->site_lk[site] = log_site_lk; /*tree->tot_loglk += *//* old code */ tree->tot_loglk_sorted[site] = /* code 2.3 */ tree->data->wght[site]*log_site_lk; } else tree->tot_loglk_sorted[site] = 1.; /* WARNING : change cautiously */ } /* code 2.3 begin*/ /* sort and add numbers from smallest to biggest */ qksort(tree->tot_loglk_sorted, 0, tree->n_pattern-1); /* qsort(tree->tot_loglk_sorted,tree->n_pattern,sizeof(double),Sort_Double_Decrease); */ tree->tot_loglk = .0; For(k, tree->data->crunch_len) if(tree->tot_loglk_sorted[k] < .0) /* WARNING : change cautiously */ tree->tot_loglk += tree->tot_loglk_sorted[k]; /* code 2.3 end*/ if((tree->mod->s_opt->opt_bl) && (tree->mod->datatype == NT)) { For(site,tree->n_pattern) { if(tree->data->wght[site]) { site_dlk = site_d2lk = .0; b_fcus->site_dlk = b_fcus->site_d2lk = .0; For(catg,tree->mod->n_catg) { For(k,ns) /*sort sum terms ? No global effect*/ { For(l,ns) { aux = tree->mod->r_proba[catg] * tree->mod->pi[k] * b_fcus->p_lk_left[site][catg][k]; site_dlk += aux * b_fcus->p_lk_rght[site][catg][l] * b_fcus->dPij_rr[catg][k][l]; site_d2lk += aux * b_fcus->p_lk_rght[site][catg][l] * b_fcus->d2Pij_rr[catg][k][l]; } } } if(tree->n_otu > LIM_SCALE) { aux = exp(b_fcus->sum_scale_f_rght[site]+ b_fcus->sum_scale_f_left[site]); site_dlk *= aux; site_d2lk *= aux; } b_fcus->site_dlk = site_dlk; b_fcus->site_d2lk = site_d2lk; if(fabs(exp(log_site_lk)) > sqrt(MDBL_MIN)) { aux = site_dlk / tree->site_lk[site]; tree->tot_dloglk[edge_num] += tree->data->wght[site] * aux; tree->tot_d2loglk[edge_num] += tree->data->wght[site] * (site_d2lk/tree->site_lk[site] - aux*aux); } } } } return tree->tot_loglk; } /*********************************************************/ void Update_P(arbre *tree, int t_edge_num) { int i; double len; len = -1.0; For(i,tree->mod->n_catg) { tree->curr_catg = i; len = tree->t_edges[t_edge_num]->l*tree->mod->rr[i]; if(len < BL_MIN) len = BL_MIN; tree->mod->update_eigen = 0; PMat(len,tree->mod,&tree->t_edges[t_edge_num]->Pij_rr[i]); /* Derivatives(tree->t_edges[t_edge_num],tree); */ } } /*********************************************************/ double Return_Lk(arbre *tree) { Lk(tree,tree->data); return tree->tot_loglk; } /*********************************************************/ double Return_Abs_Lk(arbre *tree) { Lk(tree,tree->data); return fabs(tree->tot_loglk); } /*********************************************************/ matrix *ML_Dist(allseq *data, model *mod) { int j,k,l; double init; int n_catg; double d_max; matrix *mat; allseq *twodata,*tmpdata; tmpdata = (allseq *)mCalloc(1,sizeof(allseq)); tmpdata->n_otu=2; tmpdata->c_seq = (seq **)mCalloc(2,sizeof(seq *)); tmpdata->b_frq = (double *)mCalloc(mod->ns,sizeof(double)); tmpdata->ambigu = (int *)mCalloc(data->crunch_len,sizeof(int)); tmpdata->crunch_len = tmpdata->init_len = data->crunch_len; mat = (mod->datatype == NT) ? ((mod->whichmodel < 10)?(K2P_dist(data,2000)):(JC69_Dist(data,mod))): (JC69_Dist(data,mod)); n_catg = -1; For(j,data->n_otu-1) { tmpdata->c_seq[0]=data->c_seq[j]; tmpdata->c_seq[0]->name=data->c_seq[j]->name; tmpdata->wght = data->wght; for(k=j+1;kn_otu;k++) { tmpdata->c_seq[1]=data->c_seq[k]; tmpdata->c_seq[1]->name=data->c_seq[k]->name; twodata = Compact_CSeq(tmpdata,mod); For(l,mod->ns) twodata->b_frq[l]=data->b_frq[l]; Check_Ambiguities(twodata,mod->datatype,1); Hide_Ambiguities(twodata); init = mat->dist[j][k]; if((init == DIST_MAX) || (init < .0)) init = 0.1; n_catg = mod->n_catg; mod->n_catg = 1; /* BRENT */ d_max = Optimize_Dist(mod,init,twodata); /* d_max = init; */ /* NEWTON-RAPHSON */ /* if(d_max < .0) */ /* { */ /* d_max = Optimize_One_Dist(twodata,0,1,init,mod); */ /* d_max = init; */ /* } */ mod->n_catg = n_catg; if(d_max >= DIST_MAX) { printf("\n. Large distance encountered between %s and %s sequences\n", tmpdata->c_seq[1]->name, tmpdata->c_seq[0]->name); d_max = DIST_MAX; } mat->dist[j][k] = d_max; mat->dist[k][j] = mat->dist[j][k]; Free_Cseq(twodata); } } Free(tmpdata->ambigu); Free(tmpdata->b_frq); Free(tmpdata->c_seq); free(tmpdata); return mat; } /*********************************************************/ double Lk_Given_Two_Seq(allseq *data, int numseq1, int numseq2, double dist, model *mod, double *loglk, double *dloglk, double *d2loglk) { seq *seq1,*seq2; double site_lk,site_dlk,site_d2lk,log_site_lk; int i,j,k,l; double **p_lk_l,**p_lk_r; double len; DiscreteGamma (mod->r_proba, mod->rr, mod->alpha, mod->alpha,mod->n_catg,0); seq1 = data->c_seq[numseq1]; seq2 = data->c_seq[numseq2]; p_lk_l = (double **)mCalloc(data->c_seq[0]->len,sizeof(double *)); p_lk_r = (double **)mCalloc(data->c_seq[0]->len,sizeof(double *)); For(i,data->c_seq[0]->len) { p_lk_l[i] = (double *)mCalloc(mod->ns,sizeof(double)); p_lk_r[i] = (double *)mCalloc(mod->ns,sizeof(double)); } if(dist < BL_MIN) dist = BL_START; For(i,mod->n_catg) { len = dist*mod->rr[i]; if(len < BL_MIN) len = BL_MIN; PMat(len,mod,&(mod->Pij_rr[i])); } if(mod->datatype == NT) { For(i,mod->n_catg) { dPMat(dist,mod->rr[i],mod,&(mod->dPij_rr[i])); d2PMat(dist,mod->rr[i],mod,&(mod->d2Pij_rr[i])); } For(i,data->c_seq[0]->len) { Init_Tips_At_One_Site_Nucleotides(seq1->state[i], &p_lk_l[i]); Init_Tips_At_One_Site_Nucleotides(seq2->state[i], &p_lk_r[i]); } } else { For(i,data->c_seq[0]->len) { Init_Tips_At_One_Site_AA(seq1->state[i], &p_lk_l[i]); Init_Tips_At_One_Site_AA(seq2->state[i], &p_lk_r[i]); } } site_lk = site_dlk = site_d2lk = .0; *loglk = *dloglk = *d2loglk = 0; For(i,data->c_seq[0]->len) { if(data->wght[i]) { site_lk = log_site_lk = .0; if(!data->ambigu[i]) { For(k,mod->ns) {if(p_lk_l[i][k] > .0001) break;} For(l,mod->ns) {if(p_lk_r[i][l] > .0001) break;} For(j,mod->n_catg) { site_lk += mod->r_proba[j] * mod->pi[k] * p_lk_l[i][k] * mod->Pij_rr[j][k][l] * p_lk_r[i][l]; } } else { For(j,mod->n_catg) { For(k,mod->ns) /*sort sum terms ? No global effect*/ { For(l,mod->ns) { site_lk += mod->r_proba[j] * mod->pi[k] * p_lk_l[i][k] * mod->Pij_rr[j][k][l] * p_lk_r[i][l]; } } } } /* printf("'%c' '%c' -> %f\n",seq1->state[i],seq2->state[i],site_lk); */ if(site_lk <= .0) { printf("'%c' '%c'\n",seq1->state[i],seq2->state[i]); Exit("\n. Err: site lk <= 0\n"); } log_site_lk += log(site_lk); *loglk += data->wght[i] * log_site_lk;/* sort sum terms ? No global effect*/ } } For(i,data->c_seq[0]->len) { Free(p_lk_l[i]); Free(p_lk_r[i]); } Free(p_lk_l); Free(p_lk_r); return *loglk; } /*********************************************************/ double ***Get_Partial_Lk_Struct(arbre *tree, int len, int n_catg) { double ***p_lk; int j,k; p_lk = (double ***)mCalloc(len,sizeof(double **)); For(j,len) { p_lk[j] = (double **)mCalloc((int)n_catg,sizeof(double *)); For(k,n_catg) p_lk[j][k] = (double *)mCalloc(tree->mod->ns,sizeof(double )); } return p_lk; } /*********************************************************/ void Unconstraint_Lk(arbre *tree) { int i; tree->unconstraint_lk = .0; For(i,tree->data->crunch_len) { tree->unconstraint_lk += tree->data->wght[i]*log(tree->data->wght[i]); } tree->unconstraint_lk -= tree->data->init_len*log(tree->data->init_len); } /*********************************************************/ void Update_P_Lk(arbre *tree, edge *b_fcus, node *n) { /* | |<- b_cus | n / \ / \ / \ */ int k,l; int site, catg; double ***p_lk, ***p_lk_v1, ***p_lk_v2; double **Pij1, **Pij2; double *n_scale_f, *d1_scale_f, *d2_scale_f; double p1_lk1,p2_lk2; double max_p_lk; edge *b1, *b2; b1 = b2 = NULL; p_lk = p_lk_v1 = p_lk_v2 = NULL; max_p_lk = MDBL_MIN; if(n == b_fcus->left) { /* if(b_fcus->ud_p_lk_left) { printf("This p_lk is up to date\n"); return;} */ p_lk = b_fcus->p_lk_left; p_lk_v1 = (n == n->b[b_fcus->l_v1]->left)? (n->b[b_fcus->l_v1]->p_lk_rght): (n->b[b_fcus->l_v1]->p_lk_left); p_lk_v2 = (n == n->b[b_fcus->l_v2]->left)? (n->b[b_fcus->l_v2]->p_lk_rght): (n->b[b_fcus->l_v2]->p_lk_left); n_scale_f = b_fcus->sum_scale_f_left; d1_scale_f = (n == n->b[b_fcus->l_v1]->left)? (n->b[b_fcus->l_v1]->sum_scale_f_rght): (n->b[b_fcus->l_v1]->sum_scale_f_left); d2_scale_f = (n == n->b[b_fcus->l_v2]->left)? (n->b[b_fcus->l_v2]->sum_scale_f_rght): (n->b[b_fcus->l_v2]->sum_scale_f_left); b_fcus->get_p_lk_left = 1; b_fcus->ud_p_lk_left = 1; } else { p_lk = b_fcus->p_lk_rght; p_lk_v1 = (n == n->b[b_fcus->r_v1]->left)? (n->b[b_fcus->r_v1]->p_lk_rght): (n->b[b_fcus->r_v1]->p_lk_left); p_lk_v2 = (n == n->b[b_fcus->r_v2]->left)? (n->b[b_fcus->r_v2]->p_lk_rght): (n->b[b_fcus->r_v2]->p_lk_left); n_scale_f = b_fcus->sum_scale_f_rght; d1_scale_f = (n == n->b[b_fcus->r_v1]->left)? (n->b[b_fcus->r_v1]->sum_scale_f_rght): (n->b[b_fcus->r_v1]->sum_scale_f_left); d2_scale_f = (n == n->b[b_fcus->r_v2]->left)? (n->b[b_fcus->r_v2]->sum_scale_f_rght): (n->b[b_fcus->r_v2]->sum_scale_f_left); b_fcus->get_p_lk_rght = 1; b_fcus->ud_p_lk_rght = 1; } if(b_fcus->l < BL_MIN) b_fcus->l = BL_MIN; if(n == b_fcus->left) { b1 = n->b[b_fcus->l_v1]; b2 = n->b[b_fcus->l_v2]; } else { b1 = n->b[b_fcus->r_v1]; b2 = n->b[b_fcus->r_v2]; } if(tree->n_otu <= LIM_SCALE) { /* NO SCALE */ For(site,tree->n_pattern) { if(tree->data->wght[site]) { For(catg,tree->mod->n_catg) { Pij1 = b1->Pij_rr[catg]; Pij2 = b2->Pij_rr[catg]; For(k,tree->mod->ns) /*sort sum terms ? No global effect*/ { p1_lk1 = p2_lk2 = .0; For(l,tree->mod->ns) { p1_lk1 += Pij1[k][l] * p_lk_v1[site][catg][l]; p2_lk2 += Pij2[k][l] * p_lk_v2[site][catg][l]; } p_lk[site][catg][k] = p1_lk1 * p2_lk2; } } } } } else { /* SCALE */ For(site,tree->n_pattern) { if(tree->data->wght[site]) { For(catg,tree->mod->n_catg) { Pij1 = b1->Pij_rr[catg]; Pij2 = b2->Pij_rr[catg]; if(!catg) { n_scale_f[site] = d1_scale_f[site] + d2_scale_f[site]; max_p_lk = -MDBL_MAX; } For(k,tree->mod->ns) /*sort sum terms ? No global effect*/ { p_lk[site][catg][k] = .0; p1_lk1 = p2_lk2 = .0; For(l,tree->mod->ns) { p1_lk1 += Pij1[k][l] * p_lk_v1[site][catg][l]; p2_lk2 += Pij2[k][l] * p_lk_v2[site][catg][l]; } p_lk[site][catg][k] = p1_lk1 * p2_lk2; if((p_lk[site][catg][k] > max_p_lk)) max_p_lk = p_lk[site][catg][k]; } } if(max_p_lk < LIM_SCALE_VAL) { For(catg,tree->mod->n_catg) { For(k,tree->mod->ns) { p_lk[site][catg][k] /= max_p_lk; if(p_lk[site][catg][k] > MDBL_MAX) { Exit("\n. Numerical overflow ! (send me an e-mail : s.guindon@auckland.ac.nz)\n"); } } } n_scale_f[site] += log(max_p_lk); } if(max_p_lk > (1./LIM_SCALE_VAL)) { For(catg,tree->mod->n_catg) { For(k,tree->mod->ns) { p_lk[site][catg][k] /= max_p_lk; if(p_lk[site][catg][k] < MDBL_MIN) { printf("\n. Numerical underflow ! (send me an e-mail : s.guindon@auckland.ac.nz)\n"); } } } n_scale_f[site] += log(max_p_lk); } } } } } /*********************************************************/ void Make_Tree_4_Lk(arbre *tree, allseq *alldata, int n_site) { int i; if(!tree->tot_loglk_sorted) tree->tot_loglk_sorted = (double *)mCalloc(tree->n_pattern, sizeof(double)); if(!tree->tot_dloglk) tree->tot_dloglk = (double *)mCalloc(2*tree->n_otu-3,sizeof(double)); if(!tree->tot_d2loglk) tree->tot_d2loglk = (double *)mCalloc(2*tree->n_otu-3,sizeof(double)); if(!tree->site_lk) tree->site_lk = (double *)mCalloc(alldata->crunch_len,sizeof(double)); if(!tree->log_site_lk_cat) { tree->log_site_lk_cat = (double **)mCalloc(tree->mod->n_catg,sizeof(double *)); For(i,tree->mod->n_catg) tree->log_site_lk_cat[i] = (double *)mCalloc(alldata->crunch_len,sizeof(double)); } tree->root = tree->noeud[0]; For(i,2*tree->n_otu-3) { Make_Edge_Lk(tree->t_edges[i]->left, tree->t_edges[i]->rght, tree); } For(i,2*tree->n_otu-2) Make_Node_Lk(tree->noeud[i]); Alloc_All_P_Lk(tree); /* Make_P_Lk_Struct(tree); */ Init_P_Lk_Tips(tree); } /*********************************************************/ void Init_P_Lk_Tips(arbre *tree) { int curr_site,i,j,k; Fors(curr_site,tree->data->crunch_len,tree->mod->stepsize) { For(i,tree->n_otu) { if (tree->mod->datatype == NT) { Init_Tips_At_One_Site_Nucleotides(tree->data->c_seq[i]->state[curr_site], &tree->noeud[i]->b[0]->p_lk_rght[curr_site][0]); } else Init_Tips_At_One_Site_AA(tree->data->c_seq[i]->state[curr_site], &tree->noeud[i]->b[0]->p_lk_rght[curr_site][0]); if((tree->noeud[i]->b[0]->p_lk_rght) && (tree->noeud[i]->b[0]->get_p_lk_rght)) { for(j=1;jmod->n_catg;j++) { For(k,tree->mod->ns) { tree->noeud[i]->b[0]->p_lk_rght[curr_site][j][k]= tree->noeud[i]->b[0]->p_lk_rght[curr_site][0][k]; } } } else { for(j=1;jmod->n_catg;j++) For(k,tree->mod->ns) tree->noeud[i]->b[0]->p_lk_rght[curr_site][j][k]= tree->noeud[i]->b[0]->p_lk_rght[curr_site][0][k]; } } } } /*********************************************************/ ./arbsrc_9167/GDE/PHYML/lk.h0000644012664100000130000000253711213220011015174 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef ML_H #define ML_H void Init_Tips_At_One_Site_Nucleotides(char state,double **p_lk); void Init_Tips_At_One_Site_AA(char aa,double **p_lk); void Get_All_Partial_Lk(arbre *tree,edge *b_fcus,node *a,node *d); void Get_All_Partial_Lk_Scale(arbre *tree,edge *b_fcus,node *a,node *d); void Post_Order_Lk(node *pere,node *fils,arbre *tree); void Pre_Order_Lk(node *pere,node *fils,arbre *tree); void Lk(arbre *tree,allseq *alldata); void Site_Lk(arbre *tree,allseq *alldata); double Lk_At_Given_Edge(arbre *tree,edge *b_fcus); void Update_P(arbre *tree,int t_edge_num); double Return_Lk(arbre *tree); double Return_Abs_Lk(arbre *tree); matrix *ML_Dist(allseq *data,model *mod); double Lk_Given_Two_Seq(allseq *data,int numseq1,int numseq2,double dist,model *mod,double *loglk,double *dloglk,double *d2loglk); double ***Get_Partial_Lk_Struct(arbre *tree,int len,int n_catg); void Unconstraint_Lk(arbre *tree); void Update_P_Lk(arbre *tree,edge *b_fcus,node *n); void Make_Tree_4_Lk(arbre *tree,allseq *alldata,int n_site); void Init_P_Lk_Tips(arbre *tree); #endif ./arbsrc_9167/GDE/PHYML/main.c0000644012664100000130000001513211213220011015500 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "lk.h" #include "optimiz.h" #include "bionj.h" #include "models.h" #include "free.h" #include "options.h" #include "simu.h" #ifdef PHYML /* int T_MAX_FILE; */ int main(int argc, char **argv) { seq **data; allseq *alldata; option *input; char *s_tree, *s_any; FILE *fp_phyml_tree,*fp_phyml_stats,*fp_phyml_lk,*fp_best_tree,*fp_best_tree_stats; arbre *tree; int n_otu, n_data_sets; matrix *mat; model *mod; time_t t_beg,t_end; div_t hour,min; int num_tree,tree_line_number; double best_loglk; srand(time(NULL)); tree = NULL; mod = NULL; /* Init_Constant(); */ s_any = (char *)mCalloc(T_MAX_FILE,sizeof(char)); fflush(NULL); input = (option *)Get_Input(argc,argv); Make_Model_Complete(input->mod); mod = input->mod; fp_phyml_stats = Openfile(input->phyml_stat_file,input->phyml_stat_file_open_mode); fprintf(fp_phyml_stats,"\n- PHYML %s -\n\n", VERSION); fp_phyml_tree = Openfile(input->phyml_tree_file,input->phyml_tree_file_open_mode); n_data_sets = 0; fp_phyml_lk = fopen(input->phyml_lk_file,"w"); if(input->inputtree) Test_Multiple_Data_Set_Format(input); else input->n_trees = 1; /* if(input->n_data_sets > 1) input->n_trees = 1; */ best_loglk = UNLIKELY; tree_line_number = 0; do { n_data_sets++; time(&t_beg); n_otu = 0; if(n_data_sets > input->n_data_sets) { data = NULL; } else { data = Get_Seq(input,0); } if(data) { if(n_data_sets > 1) printf("\n. Data set [#%d]\n",n_data_sets); printf("\n. Compressing sequences...\n"); alldata = Compact_Seq(data,input); Free_Seq(data,alldata->n_otu); Init_Model(alldata,mod); Check_Ambiguities(alldata,input->mod->datatype,input->mod->stepsize); For(num_tree,input->n_trees) { if(!input->inputtree) { printf("\n. Computing pairwise distances...\n"); mat = ML_Dist(alldata,mod); printf("\n. Building BIONJ tree...\n"); mat->tree = Make_Tree(alldata); Bionj(mat); tree = mat->tree; Free_Mat(mat); } else { if(input->n_trees > 1) printf("\n. Reading user tree [#%d]\n",tree_line_number+1); else printf("\n. Reading user tree...\n"); if(input->n_trees == 1) { rewind(input->fp_input_tree); tree_line_number = 0; } tree = Read_Tree_File(input->fp_input_tree); tree_line_number++; if(!tree) { printf("\n. Missing tree for data set #%d\n",n_data_sets); printf(" This data set is not analyzed.\n"); data = NULL; } if(!tree->has_branch_lengths) { printf("\n. Computing branch length estimates...\n"); Order_Tree_CSeq(tree,alldata); mat = ML_Dist(alldata,mod); mat->tree = tree; mat->method = 0; Bionj_Br_Length(mat); Free_Mat(mat); } } if(!tree) continue; tree->mod = mod; tree->input = input; tree->data = alldata; tree->both_sides = 1; tree->n_pattern = tree->data->crunch_len/tree->mod->stepsize; Order_Tree_CSeq(tree,alldata); Make_Tree_4_Lk(tree,alldata,alldata->init_len); if(tree->mod->s_opt->opt_topo) Simu(tree,1000); else { if(tree->mod->s_opt->opt_free_param) Round_Optimize(tree,tree->data); else { Lk(tree,tree->data); printf("\n. Log(lk) : * -> %15.6f ",tree->tot_loglk); } } if(tree->mod->bootstrap) Bootstrap(tree); Update_BrLen_Invar(tree); s_tree = Write_Tree(tree); fprintf(fp_phyml_tree,"%s\n",s_tree); Free(s_tree); Unconstraint_Lk(tree); time(&t_end); hour = div(t_end-t_beg,3600); min = div(t_end-t_beg,60 ); min.quot -= hour.quot*60; if (input->n_data_sets==1) Print_Fp_Out(fp_phyml_stats, t_beg, t_end, tree, input, n_data_sets); else Print_Fp_Out_Lines(fp_phyml_stats, t_beg, t_end, tree, input, n_data_sets); printf("\n\n. Time used %dh%dm%ds\n", hour.quot,min.quot,(int)(t_end-t_beg)%60); printf("\n%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n\n"); Print_Site_Lk(tree,fp_phyml_lk); /* fprintf(fp_phyml_lk,"%f\n",tree->tot_loglk); */ if((input->n_data_sets == 1) && (input->n_trees > 1) && (tree->tot_loglk > best_loglk)) { best_loglk = tree->tot_loglk; strcpy(s_any,input->seqfile); fp_best_tree = fopen(s_any = strcat(s_any,"_phyml_best_tree.txt"),"w"); s_tree = Write_Tree(tree); fprintf(fp_best_tree,"%s\n",s_tree); Free(s_tree); strcpy(s_any,input->seqfile); fp_best_tree_stats = fopen(s_any = strcat(s_any,"_phyml_best_stat.txt"),"w"); Print_Fp_Out(fp_best_tree_stats, t_beg, t_end, tree, input, n_data_sets); fclose(fp_best_tree); fclose(fp_best_tree_stats); } Free_Tree_Lk(tree); Free_Tree(tree); if(input->n_data_sets > 1) { break; } } Free_Cseq(alldata); } }while(data); Free_Model(mod); if(input->fp_seq ) fclose(input->fp_seq ); if(input->fp_input_tree) fclose(input->fp_input_tree); fclose(fp_phyml_lk); fclose(fp_phyml_tree); fclose(fp_phyml_stats); Free_Input(input); Free(s_any); return 0; } #endif /*********************************************************/ ./arbsrc_9167/GDE/PHYML/Makefile0000644012664100000130000000426412050705370016074 0ustar arb_buildcoders# PHYML 2.4.5 Makefile # modified for ARB by Ralf Westram (Jun 2006) .SUFFIXES: .o .c .h .depend LIBS = -lm PROG = PHYML DFLAG = -DUNIX -D$(PROG) OBJS = main.o utilities.o optimiz.o lk.o bionj.o models.o free.o options.o simu.o eigen.o ifndef ARB # ---------------------------------------- # original compilation CC = gcc #cc CFLAGS = -O4 -fomit-frame-pointer -Wall -static # CFLAGS = -Wall # CFLAGS = -g -Wall # CFLAGS = -pg -Wall -fprofile-arcs -static EXEC = phyml else # ---------------------------------------- # compilation together with ARB CC = $(ACC) CFLAGS = $(cflags) -fomit-frame-pointer EXEC = $(ARBHOME)/bin/phyml ifdef DARWIN CFLAGS += -fPIC endif # ARBs standard target $(MAIN) : $(EXEC) endif $(EXEC) : $(OBJS) $(CC) -o $(EXEC) $(OBJS) $(LIBS) $(CFLAGS) clean : rm -f $(OBJS) $(EXEC) .c.o: $(CC) $(CFLAGS) $(DFLAG) -c -o $@ $< ###################################################################################################### DEPENDS = $(OBJS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl bionj.o: bionj.h bionj.o: optimiz.h bionj.o: utilities.h eigen.o: eigen.h eigen.o: utilities.h free.o: free.h free.o: utilities.h lk.o: free.h lk.o: lk.h lk.o: models.h lk.o: optimiz.h lk.o: utilities.h main.o: bionj.h main.o: free.h main.o: lk.h main.o: models.h main.o: optimiz.h main.o: options.h main.o: simu.h main.o: utilities.h models.o: eigen.h models.o: free.h models.o: models.h models.o: utilities.h optimiz.o: free.h optimiz.o: lk.h optimiz.o: optimiz.h optimiz.o: utilities.h options.o: free.h options.o: models.h options.o: options.h options.o: utilities.h simu.o: free.h simu.o: lk.h simu.o: models.h simu.o: optimiz.h simu.o: simu.h simu.o: utilities.h utilities.o: bionj.h utilities.o: free.h utilities.o: lk.h utilities.o: models.h utilities.o: optimiz.h utilities.o: simu.h utilities.o: utilities.h ./arbsrc_9167/GDE/PHYML/Makefile.org0000644012664100000130000000240311213220011016633 0ustar arb_buildcodershello !!! CC = gcc #cc CFLAGS = -O4 -fomit-frame-pointer -Wall -static # CFLAGS = -Wall # CFLAGS = -g -Wall # CFLAGS = -pg -Wall -fprofile-arcs -static LIBS = -lm PROG = PHYML EXEC = phyml DFLAG = -DUNIX -D$(PROG) #rien : # @echo Nothing to do ?... ###################################################################################################### OBJS = main.o utilities.o optimiz.o lk.o bionj.o models.o free.o options.o simu.o eigen.o $(EXEC) : $(OBJS) $(CC) -o $(EXEC) $(OBJS) $(LIBS) $(CFLAGS) clean : @rm *.o ###################################################################################################### eigen.o : eigen.c eigen.h $(CC) $(CFLAGS) $(DFLAG) -c eigen.c simu.o : simu.c simu.h $(CC) $(CFLAGS) $(DFLAG) -c simu.c lk.o : lk.c lk.h $(CC) $(CFLAGS) $(DFLAG) -c lk.c utilities.o : utilities.c utilities.h $(CC) $(CFLAGS) $(DFLAG) -c utilities.c optimiz.o : optimiz.c optimiz.h $(CC) $(CFLAGS) $(DFLAG) -c optimiz.c bionj.o : bionj.c bionj.h $(CC) $(CFLAGS) $(DFLAG) -c bionj.c main.o : main.c $(CC) $(CFLAGS) $(DFLAG) -c main.c models.o : models.c models.h $(CC) $(CFLAGS) $(DFLAG) -c models.c free.o : free.c free.h $(CC) $(CFLAGS) $(DFLAG) -c free.c options.o : options.c options.h $(CC) $(CFLAGS) $(DFLAG) -c options.c ./arbsrc_9167/GDE/PHYML/models.c0000644012664100000130000024450111213220011016043 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "models.h" #include "eigen.h" #include "free.h" /*********************************************************/ void PMat_K80(double l,double kappa, double ***Pij) { double Ts,Tv,e1,e2,aux; /*0 => A*/ /*1 => C*/ /*2 => G*/ /*3 => T*/ /* Ts -> transition*/ /* Tv -> transversion*/ aux = -2*l/(kappa+2); e1 = exp(aux *2); if (1.0!=kappa) { e2 = exp(aux *(kappa+1)); Tv = .25*(1-e1); Ts = .25*(1+e1-2*e2); } else { Ts = Tv = .25*(1-e1); } (*Pij)[0][1] = (*Pij)[1][0] = Tv; (*Pij)[0][2] = (*Pij)[2][0] = Ts; (*Pij)[0][3] = (*Pij)[3][0] = Tv; (*Pij)[1][2] = (*Pij)[2][1] = Tv; (*Pij)[1][3] = (*Pij)[3][1] = Ts; (*Pij)[2][3] = (*Pij)[3][2] = Tv; (*Pij)[0][0] = (*Pij)[1][1] = (*Pij)[2][2] = (*Pij)[3][3] = 1.-Ts-2.*Tv; } /*********************************************************/ void dPMat_K80(double l, double ***dPij, double rr, double k) { double aux,e1,e2; double dTsl,dTsk; double dTvl,dTvk; /* Ts -> transition*/ /* Tv -> transversion*/ aux = -2.*l*rr/(k+2.); e1 = exp(aux *2); if (1.0!=k) e2 = exp(aux *(k+1)); else e2 = e1; dTsl = -rr/(k+2) * e1 + rr*(k+1)/(k+2) * e2; dTvl = rr/(k+2) * e1; dTsk = l/pow(k+2,2) * (e1 + e2); dTvk = l/pow(k+2,2) * e1; /*First derivatives*/ /* branch lengths */ (*dPij)[0][0] = (*dPij)[1][1] = (*dPij)[2][2] = (*dPij)[3][3] = -dTsl-2*dTvl; (*dPij)[0][1] = (*dPij)[1][0] = dTvl; (*dPij)[0][2] = (*dPij)[2][0] = dTsl; (*dPij)[0][3] = (*dPij)[3][0] = dTvl; (*dPij)[1][2] = (*dPij)[2][1] = dTvl; (*dPij)[1][3] = (*dPij)[3][1] = dTsl; (*dPij)[2][3] = (*dPij)[3][2] = dTvl; } /*********************************************************/ void d2PMat_K80(double l, double ***d2Pij, double rr, double k) { double e1,e2,aux,aux2,aux3,aux4; double d2Tsl,d2Tsk; double d2Tvl,d2Tvk; /* Ts -> transition*/ /* Tv -> transversion*/ aux = -2.*l*rr/(k+2.); e1 = exp(aux *2); if (1.0!=k) e2 = exp(aux *(k+1)); else e2 = e1; aux2 = rr*rr/pow(k+2,2); aux3 = l /pow(k+2,3); aux4 = l *l /pow(k+2,4); d2Tvl = -4.*aux2 * e1; d2Tsl = -d2Tvl -2*aux2 *pow((k+1),2) * e2; d2Tvk = -2*aux3 * e1 + 4*aux4 * e1; d2Tsk = d2Tvk -2*aux3 * e2 - 2*aux4 * e2; /*Scnd derivatives*/ /* branch lengths */ (*d2Pij)[0][0] = (*d2Pij)[1][1] = (*d2Pij)[2][2] = (*d2Pij)[3][3] = -d2Tsl-2*d2Tvl; (*d2Pij)[0][1] = (*d2Pij)[1][0] = d2Tvl; (*d2Pij)[0][2] = (*d2Pij)[2][0] = d2Tsl; (*d2Pij)[0][3] = (*d2Pij)[3][0] = d2Tvl; (*d2Pij)[1][2] = (*d2Pij)[2][1] = d2Tvl; (*d2Pij)[1][3] = (*d2Pij)[3][1] = d2Tsl; (*d2Pij)[2][3] = (*d2Pij)[3][2] = d2Tvl; } /*********************************************************/ void PMat_TN93(double l, model *mod, double ***Pij) { int i,j; double e1,e2,e3; double a1t,a2t,bt; double A,C,G,T,R,Y; double kappa1,kappa2; int kappa_has_changed; A = mod->pi[0]; C = mod->pi[1]; G = mod->pi[2]; T = mod->pi[3]; R = A+G; Y = T+C; kappa_has_changed = 0; if(mod->kappa < .0) mod->kappa = 1.0e-5; if(mod->whichmodel < 5) { mod->lambda = 1.; } else if(mod->whichmodel == 5) { do { mod->lambda = (Y+(R-Y)/(2.*mod->kappa))/(R-(R-Y)/(2.*mod->kappa)); if(mod->lambda < .0) { mod->kappa += mod->kappa/10.; kappa_has_changed = 1; } }while(mod->lambda < .0); } if((!mod->s_opt->opt_kappa) && (kappa_has_changed)) { printf("\n. WARNING: This transition/transversion ratio\n"); printf(" is impossible with these base frequencies!\n"); printf(" The ratio is now set to %.3f\n",mod->kappa); } kappa2 = mod->kappa*2./(1.+mod->lambda); kappa1 = kappa2 * mod->lambda; bt = l/(2.*(A*G*kappa1+C*T*kappa2+R*Y)); a1t = kappa1; a2t = kappa2; a1t*=bt; a2t*=bt; e1 = exp(-a1t*R-bt*Y); e2 = exp(-a2t*Y-bt*R); e3 = exp(-bt); /*A->A*/(*Pij)[0][0] = A+Y*A/R*e3+G/R*e1; /*A->C*/(*Pij)[0][1] = C*(1-e3); /*A->G*/(*Pij)[0][2] = G+Y*G/R*e3-G/R*e1; /*A->T*/(*Pij)[0][3] = T*(1-e3); /*C->A*/(*Pij)[1][0] = A*(1-e3); /*C->C*/(*Pij)[1][1] = C+R*C/Y*e3+T/Y*e2; /*C->G*/(*Pij)[1][2] = G*(1-e3); /*C->T*/(*Pij)[1][3] = T+R*T/Y*e3-T/Y*e2; /*G->A*/(*Pij)[2][0] = A+Y*A/R*e3-A/R*e1; /*G->C*/(*Pij)[2][1] = C*(1-e3); /*G->G*/(*Pij)[2][2] = G+Y*G/R*e3+A/R*e1; /*G->T*/(*Pij)[2][3] = T*(1-e3); /*T->A*/(*Pij)[3][0] = A*(1-e3); /*T->C*/(*Pij)[3][1] = C+R*C/Y*e3-C/Y*e2; /*T->G*/(*Pij)[3][2] = G*(1-e3); /*T->T*/(*Pij)[3][3] = T+R*T/Y*e3+C/Y*e2; For(i,4) For(j,4) if((*Pij)[i][j] < MDBL_MIN) (*Pij)[i][j] = MDBL_MIN; } /*********************************************************/ void dPMat_TN93(double l, double ***dPij, model *mod, double rr) { double kappa1,kappa2; double de1dl,de2dl,de3dl; double A,C,G,T,R,Y; double Z; A = mod->pi[0]; C = mod->pi[1]; G = mod->pi[2]; T = mod->pi[3]; R = A+G; Y = C+T; if(mod->whichmodel < 5) { mod->lambda = 1.; } else if(mod->whichmodel == 5) { mod->lambda = (Y+(R-Y)/(2.*mod->kappa))/(R-(R-Y)/(2.*mod->kappa)); } kappa2 = mod->kappa*2./(1.+mod->lambda); kappa1 = kappa2 * mod->lambda; Z = 2.*A*G*kappa1+2.*C*T*kappa2+2.*R*Y; de1dl = -rr*(kappa1*R/Z + Y/Z)*exp(-kappa1*R/Z*l*rr-Y/Z*l*rr); de2dl = -rr*(kappa2*Y/Z + R/Z)*exp(-kappa2*Y/Z*l*rr-R/Z*l*rr); de3dl = -rr/Z*exp(-l*rr/Z); /*A->A*/(*dPij)[0][0] = Y*A/R*de3dl+G/R*de1dl; /*A->C*/(*dPij)[0][1] = -C*de3dl; /*A->G*/(*dPij)[0][2] = Y*G/R*de3dl-G/R*de1dl; /*A->T*/(*dPij)[0][3] = -T*de3dl; /*C->A*/(*dPij)[1][0] = -A*de3dl; /*C->C*/(*dPij)[1][1] = R*C/Y*de3dl+T/Y*de2dl; /*C->G*/(*dPij)[1][2] = -G*de3dl; /*C->T*/(*dPij)[1][3] = R*T/Y*de3dl-T/Y*de2dl; /*G->A*/(*dPij)[2][0] = Y*A/R*de3dl-A/R*de1dl; /*G->C*/(*dPij)[2][1] = -C*de3dl; /*G->G*/(*dPij)[2][2] = Y*G/R*de3dl+A/R*de1dl; /*G->T*/(*dPij)[2][3] = -T*de3dl; /*T->A*/(*dPij)[3][0] = -A*de3dl; /*T->C*/(*dPij)[3][1] = R*C/Y*de3dl-C/Y*de2dl; /*T->G*/(*dPij)[3][2] = -G*de3dl; /*T->T*/(*dPij)[3][3] = R*T/Y*de3dl+C/Y*de2dl; } /*********************************************************/ void d2PMat_TN93(double l, double ***d2Pij, model *mod, double rr) { double kappa1,kappa2; double d2e1dl2,d2e2dl2,d2e3dl2; double A,C,G,T,R,Y; double Z; A = mod->pi[0]; C = mod->pi[1]; G = mod->pi[2]; T = mod->pi[3]; R = A+G; Y = C+T; if(mod->whichmodel < 5) { mod->lambda = 1.; } else if(mod->whichmodel == 5) { mod->lambda = (Y+(R-Y)/(2.*mod->kappa))/(R-(R-Y)/(2.*mod->kappa)); } kappa2 = mod->kappa*2./(1.+mod->lambda); kappa1 = kappa2 * mod->lambda; Z = 2.*A*G*kappa1+2.*C*T*kappa2+2.*R*Y; d2e1dl2 = (-rr*(kappa1*R/Z + Y/Z))* (-rr*(kappa1*R/Z + Y/Z))* exp(-kappa1*R/Z*l*rr-Y/Z*l*rr); d2e2dl2 = (-rr*(kappa2*Y/Z + R/Z))* (-rr*(kappa2*Y/Z + R/Z))* exp(-kappa2*Y/Z*l*rr-R/Z*l*rr); d2e3dl2 = (-rr/Z)* (-rr/Z)* exp(-l*rr/Z); /*A->A*/(*d2Pij)[0][0] = Y*A/R*d2e3dl2+G/R*d2e1dl2; /*A->C*/(*d2Pij)[0][1] = -C*d2e3dl2; /*A->G*/(*d2Pij)[0][2] = Y*G/R*d2e3dl2-G/R*d2e1dl2; /*A->T*/(*d2Pij)[0][3] = -T*d2e3dl2; /*C->A*/(*d2Pij)[1][0] = -A*d2e3dl2; /*C->C*/(*d2Pij)[1][1] = R*C/Y*d2e3dl2+T/Y*d2e2dl2; /*C->G*/(*d2Pij)[1][2] = -G*d2e3dl2; /*C->T*/(*d2Pij)[1][3] = R*T/Y*d2e3dl2-T/Y*d2e2dl2; /*G->A*/(*d2Pij)[2][0] = Y*A/R*d2e3dl2-A/R*d2e1dl2; /*G->C*/(*d2Pij)[2][1] = -C*d2e3dl2; /*G->G*/(*d2Pij)[2][2] = Y*G/R*d2e3dl2+A/R*d2e1dl2; /*G->T*/(*d2Pij)[2][3] = -T*d2e3dl2; /*T->A*/(*d2Pij)[3][0] = -A*d2e3dl2; /*T->C*/(*d2Pij)[3][1] = R*C/Y*d2e3dl2-C/Y*d2e2dl2; /*T->G*/(*d2Pij)[3][2] = -G*d2e3dl2; /*T->T*/(*d2Pij)[3][3] = R*T/Y*d2e3dl2+C/Y*d2e2dl2; } /*********************************************************/ int Matinv (double *x, int n, int m, double *space) { /* x[n*m] ... m>=n */ int i,j,k; int *irow; double ee, t,t1,xmax; double det; ee = 1.0E-20; det = 1.0; irow = (int *)mCalloc(n,sizeof(int)); For (i,n) { xmax = 0.; for (j=i; j=0; i--) { if (irow[i] == i) continue; For(j,n) { t = x[j*m+i]; x[j*m+i] = x[j*m + irow[i]]; x[j*m + irow[i]] = t; } } free(irow); return (0); } /********************************************************************/ /* void PMat_Empirical(double l, model *mod, double ***Pij) */ /* */ /* Computes the substitution probability matrix */ /* from the initial substitution rate matrix and frequency vector */ /* and one specific branch length */ /* */ /* input : l , branch length */ /* input : mod , choosen model parameters, mat_Q and pi */ /* ouput : Pij , substitution probability matrix */ /* */ /* matrix P(l) is computed as follows : */ /* P(l) = exp(Q*t) , where : */ /* */ /* Q = substitution rate matrix = Vr*D*inverse(Vr) , where : */ /* */ /* Vr = right eigenvector matrix for Q */ /* D = diagonal matrix of eigenvalues for Q */ /* */ /* t = time interval = l / mr , where : */ /* */ /* mr = mean rate = branch length/time interval */ /* = sum(i)(pi[i]*p(i->j)) , where : */ /* */ /* pi = state frequency vector */ /* p(i->j) = subst. probability from i to a different state */ /* = -Q[ii] , as sum(j)(Q[ij]) +Q[ii] =0 */ /* */ /* the Taylor development of exp(Q*t) gives : */ /* P(l) = Vr*exp(D*t) *inverse(Vr) */ /* = Vr*pow(exp(D/mr),l)*inverse(Vr) */ /* */ /* for performance we compute only once the following matrixes : */ /* Vr, inverse(Vr), exp(D/mr) */ /* thus each time we compute P(l) we only have to : */ /* make 20 times the operation pow() */ /* make 2 20x20 matrix multiplications , that is : */ /* 16000 = 2x20x20x20 times the operation * */ /* 16000 = 2x20x20x20 times the operation + */ /* which can be reduced to (the central matrix being diagonal) : */ /* 8400 = 20x20 + 20x20x20 times the operation * */ /* 8000 = 20x20x20 times the operation + */ /********************************************************************/ void PMat_Empirical(double l, model *mod, double ***Pij) { int n = mod->ns; int i, j, k; double *U,*V,*R; double *expt = (double*)calloc(n,sizeof(double)); double *uexpt = (double*)calloc(n*n,sizeof(double)); U = mod->mat_Vr; V = mod->mat_Vi; R = mod->vct_eDmr; For (i,n) For (k,n) (*Pij)[i][k] = .0; /* compute pow(exp(D/mr),l) into mat_eDmrl */ For (k,n) expt[k] = pow(R[k], l); /* multiply Vr*pow(exp(D/mr),l)*Vi into Pij */ For (i,n) For (k,n) uexpt[i*n+k] = U[i*n+k] * expt[k]; For (i,n) { For (j,n) { For(k,n) { (*Pij)[i][j] += uexpt[i*n+k] * V[k*n+j]; } if((*Pij)[i][j] < MDBL_MIN) (*Pij)[i][j] = MDBL_MIN; } } free(expt); free(uexpt); } /*********************************************************/ void PMat(double l, model *mod, double ***Pij) { switch(mod->datatype) { case NT : { if(mod->whichmodel < 3) PMat_K80(l,mod->kappa,Pij); else { if(mod->whichmodel < 7) PMat_TN93(l,mod,Pij); else { PMat_Empirical(l,mod,Pij); } } break; } case AA : PMat_Empirical(l,mod,Pij); } } /*********************************************************/ void dPMat(double l, double rr, model *mod, double ***dPij) { if(mod->whichmodel < 3) dPMat_K80(l,dPij,rr,mod->kappa); else dPMat_TN93(l,dPij,mod,rr); } /*********************************************************/ void d2PMat(double l, double rr, model *mod, double ***d2Pij) { if(mod->whichmodel < 3) d2PMat_K80(l,d2Pij,rr,mod->kappa); else d2PMat_TN93(l,d2Pij,mod,rr); } /*********************************************************/ int GetDaa (double *daa, double *pi, char *file_name) { /* Get the amino acid distance (or substitution rate) matrix (grantham, dayhoff, jones, etc). */ FILE * fdaa; int i,j, naa; double dmax,dmin; double sum; naa = 20; dmax = .0; dmin = 1.E+40; fdaa = (FILE *)Openfile(file_name,0); for (i=0; idaa[i*naa+j]) dmin=daa[i*naa+j]; } For(i,naa) { if(fscanf(fdaa,"%lf",&pi[i])!=1) Exit("err aaRatefile"); } sum = 0.0; For(i, naa) sum += pi[i]; if (fabs(1-sum)>1e-4) { printf("\nSum of freq. = %.6f != 1 in aaRateFile\n",sum); exit(-1); } fclose (fdaa); return (0); } /*********************************************************/ int Init_Qmat_Dayhoff(double *daa, double *pi) { /* Dayhoff's model data * Dayhoff, M.O., Schwartz, R.M., Orcutt, B.C. (1978) * "A model of evolutionary change in proteins." * Dayhoff, M.O.(ed.) Atlas of Protein Sequence Structur., Vol5, Suppl3. * National Biomedical Research Foundation, Washington DC, pp.345-352. */ int i,j,naa; naa = 20; daa[ 1*20+ 0] = 27.00; daa[ 2*20+ 0] = 98.00; daa[ 2*20+ 1] = 32.00; daa[ 3*20+ 0] = 120.00; daa[ 3*20+ 1] = 0.00; daa[ 3*20+ 2] = 905.00; daa[ 4*20+ 0] = 36.00; daa[ 4*20+ 1] = 23.00; daa[ 4*20+ 2] = 0.00; daa[ 4*20+ 3] = 0.00; daa[ 5*20+ 0] = 89.00; daa[ 5*20+ 1] = 246.00; daa[ 5*20+ 2] = 103.00; daa[ 5*20+ 3] = 134.00; daa[ 5*20+ 4] = 0.00; daa[ 6*20+ 0] = 198.00; daa[ 6*20+ 1] = 1.00; daa[ 6*20+ 2] = 148.00; daa[ 6*20+ 3] = 1153.00; daa[ 6*20+ 4] = 0.00; daa[ 6*20+ 5] = 716.00; daa[ 7*20+ 0] = 240.00; daa[ 7*20+ 1] = 9.00; daa[ 7*20+ 2] = 139.00; daa[ 7*20+ 3] = 125.00; daa[ 7*20+ 4] = 11.00; daa[ 7*20+ 5] = 28.00; daa[ 7*20+ 6] = 81.00; daa[ 8*20+ 0] = 23.00; daa[ 8*20+ 1] = 240.00; daa[ 8*20+ 2] = 535.00; daa[ 8*20+ 3] = 86.00; daa[ 8*20+ 4] = 28.00; daa[ 8*20+ 5] = 606.00; daa[ 8*20+ 6] = 43.00; daa[ 8*20+ 7] = 10.00; daa[ 9*20+ 0] = 65.00; daa[ 9*20+ 1] = 64.00; daa[ 9*20+ 2] = 77.00; daa[ 9*20+ 3] = 24.00; daa[ 9*20+ 4] = 44.00; daa[ 9*20+ 5] = 18.00; daa[ 9*20+ 6] = 61.00; daa[ 9*20+ 7] = 0.00; daa[ 9*20+ 8] = 7.00; daa[10*20+ 0] = 41.00; daa[10*20+ 1] = 15.00; daa[10*20+ 2] = 34.00; daa[10*20+ 3] = 0.00; daa[10*20+ 4] = 0.00; daa[10*20+ 5] = 73.00; daa[10*20+ 6] = 11.00; daa[10*20+ 7] = 7.00; daa[10*20+ 8] = 44.00; daa[10*20+ 9] = 257.00; daa[11*20+ 0] = 26.00; daa[11*20+ 1] = 464.00; daa[11*20+ 2] = 318.00; daa[11*20+ 3] = 71.00; daa[11*20+ 4] = 0.00; daa[11*20+ 5] = 153.00; daa[11*20+ 6] = 83.00; daa[11*20+ 7] = 27.00; daa[11*20+ 8] = 26.00; daa[11*20+ 9] = 46.00; daa[11*20+10] = 18.00; daa[12*20+ 0] = 72.00; daa[12*20+ 1] = 90.00; daa[12*20+ 2] = 1.00; daa[12*20+ 3] = 0.00; daa[12*20+ 4] = 0.00; daa[12*20+ 5] = 114.00; daa[12*20+ 6] = 30.00; daa[12*20+ 7] = 17.00; daa[12*20+ 8] = 0.00; daa[12*20+ 9] = 336.00; daa[12*20+10] = 527.00; daa[12*20+11] = 243.00; daa[13*20+ 0] = 18.00; daa[13*20+ 1] = 14.00; daa[13*20+ 2] = 14.00; daa[13*20+ 3] = 0.00; daa[13*20+ 4] = 0.00; daa[13*20+ 5] = 0.00; daa[13*20+ 6] = 0.00; daa[13*20+ 7] = 15.00; daa[13*20+ 8] = 48.00; daa[13*20+ 9] = 196.00; daa[13*20+10] = 157.00; daa[13*20+11] = 0.00; daa[13*20+12] = 92.00; daa[14*20+ 0] = 250.00; daa[14*20+ 1] = 103.00; daa[14*20+ 2] = 42.00; daa[14*20+ 3] = 13.00; daa[14*20+ 4] = 19.00; daa[14*20+ 5] = 153.00; daa[14*20+ 6] = 51.00; daa[14*20+ 7] = 34.00; daa[14*20+ 8] = 94.00; daa[14*20+ 9] = 12.00; daa[14*20+10] = 32.00; daa[14*20+11] = 33.00; daa[14*20+12] = 17.00; daa[14*20+13] = 11.00; daa[15*20+ 0] = 409.00; daa[15*20+ 1] = 154.00; daa[15*20+ 2] = 495.00; daa[15*20+ 3] = 95.00; daa[15*20+ 4] = 161.00; daa[15*20+ 5] = 56.00; daa[15*20+ 6] = 79.00; daa[15*20+ 7] = 234.00; daa[15*20+ 8] = 35.00; daa[15*20+ 9] = 24.00; daa[15*20+10] = 17.00; daa[15*20+11] = 96.00; daa[15*20+12] = 62.00; daa[15*20+13] = 46.00; daa[15*20+14] = 245.00; daa[16*20+ 0] = 371.00; daa[16*20+ 1] = 26.00; daa[16*20+ 2] = 229.00; daa[16*20+ 3] = 66.00; daa[16*20+ 4] = 16.00; daa[16*20+ 5] = 53.00; daa[16*20+ 6] = 34.00; daa[16*20+ 7] = 30.00; daa[16*20+ 8] = 22.00; daa[16*20+ 9] = 192.00; daa[16*20+10] = 33.00; daa[16*20+11] = 136.00; daa[16*20+12] = 104.00; daa[16*20+13] = 13.00; daa[16*20+14] = 78.00; daa[16*20+15] = 550.00; daa[17*20+ 0] = 0.00; daa[17*20+ 1] = 201.00; daa[17*20+ 2] = 23.00; daa[17*20+ 3] = 0.00; daa[17*20+ 4] = 0.00; daa[17*20+ 5] = 0.00; daa[17*20+ 6] = 0.00; daa[17*20+ 7] = 0.00; daa[17*20+ 8] = 27.00; daa[17*20+ 9] = 0.00; daa[17*20+10] = 46.00; daa[17*20+11] = 0.00; daa[17*20+12] = 0.00; daa[17*20+13] = 76.00; daa[17*20+14] = 0.00; daa[17*20+15] = 75.00; daa[17*20+16] = 0.00; daa[18*20+ 0] = 24.00; daa[18*20+ 1] = 8.00; daa[18*20+ 2] = 95.00; daa[18*20+ 3] = 0.00; daa[18*20+ 4] = 96.00; daa[18*20+ 5] = 0.00; daa[18*20+ 6] = 22.00; daa[18*20+ 7] = 0.00; daa[18*20+ 8] = 127.00; daa[18*20+ 9] = 37.00; daa[18*20+10] = 28.00; daa[18*20+11] = 13.00; daa[18*20+12] = 0.00; daa[18*20+13] = 698.00; daa[18*20+14] = 0.00; daa[18*20+15] = 34.00; daa[18*20+16] = 42.00; daa[18*20+17] = 61.00; daa[19*20+ 0] = 208.00; daa[19*20+ 1] = 24.00; daa[19*20+ 2] = 15.00; daa[19*20+ 3] = 18.00; daa[19*20+ 4] = 49.00; daa[19*20+ 5] = 35.00; daa[19*20+ 6] = 37.00; daa[19*20+ 7] = 54.00; daa[19*20+ 8] = 44.00; daa[19*20+ 9] = 889.00; daa[19*20+10] = 175.00; daa[19*20+11] = 10.00; daa[19*20+12] = 258.00; daa[19*20+13] = 12.00; daa[19*20+14] = 48.00; daa[19*20+15] = 30.00; daa[19*20+16] = 157.00; daa[19*20+17] = 0.00; daa[19*20+18] = 28.00; for (i=0; iseq_len = data->init_len; For(i,mod->n_catg) { mod->rr[i] = 1.0; mod->r_proba[i] = 1.0; } if(!mod->invar) For(i,data->crunch_len) data->invar[i] = 0; ns = mod->ns; mod->datatype = (mod->whichmodel>=10)?((mod->whichmodel>20)?(0):(1)):(0); dr = (double *)mCalloc( ns,sizeof(double)); di = (double *)mCalloc( ns,sizeof(double)); space = (double *)mCalloc(2*ns,sizeof(double)); For(i,ns) mod->pi[i] = data->b_frq[i]; if(mod->datatype == NT) /* Nucleotides */ { if(mod->whichmodel < 40) { /* init for nucleotides */ mod->lambda = 1.; if((mod->whichmodel==1) || (mod->whichmodel==2)) { mod->pi[0] = mod->pi[1] = mod->pi[2] = mod->pi[3] = .25; } if((mod->whichmodel==1) || (mod->whichmodel==3) || (mod->whichmodel==7) || (mod->whichmodel==8)) { mod->kappa = 1.; } if(mod->whichmodel == 5) { aux = ((mod->pi[0]+mod->pi[2])-(mod->pi[1]+mod->pi[3]))/(2.*mod->kappa); mod->lambda = ((mod->pi[1]+mod->pi[3]) + aux)/((mod->pi[0]+mod->pi[2]) - aux); } if(mod->whichmodel == 7) { mod->custom_mod_string[0] = '0'; mod->custom_mod_string[1] = '1'; mod->custom_mod_string[2] = '2'; mod->custom_mod_string[3] = '3'; mod->custom_mod_string[4] = '4'; mod->custom_mod_string[5] = '5'; Translate_Custom_Mod_String(mod); Update_Qmat_GTR(mod); } if(mod->whichmodel == 8) { if(mod->user_b_freq[0] > -1.) { For(i,4) { mod->pi[i] = mod->user_b_freq[i]; } } Update_Qmat_GTR(mod); } } else { /* init for codon model */ For(i,64) mod->pi[i] = 1./61; } } else { /* init for amino-acids */ /* see comments of PMat_Empirical for details */ /* read pi and Q from file */ switch(mod->whichmodel) { case 11 : { Init_Qmat_Dayhoff(mod->mat_Q,mod->pi); break; } case 12 : { Init_Qmat_JTT(mod->mat_Q,mod->pi); break; } case 13 : { Init_Qmat_MtREV(mod->mat_Q,mod->pi); break; } case 14 : { Init_Qmat_WAG(mod->mat_Q,mod->pi); break; } case 15 : { Init_Qmat_DCMut(mod->mat_Q,mod->pi); break; } case 16 : { Init_Qmat_RtREV(mod->mat_Q,mod->pi); break; } case 17 : { Init_Qmat_CpREV(mod->mat_Q,mod->pi); break; } case 18 : { Init_Qmat_VT(mod->mat_Q,mod->pi); break; } case 19 : { Init_Qmat_Blosum62(mod->mat_Q,mod->pi); break; } case 20 : { Init_Qmat_MtMam(mod->mat_Q,mod->pi); break; } default : break; } /* multiply the nth col of Q by the nth term of pi/100 just as in PAML */ For(i,ns) For(j,ns) mod->mat_Q[i*ns+j] *= mod->pi[j] / 100.0; /* compute diagonal terms of Q and mean rate mr = l/t */ mod->mr = .0; For (i,ns) { sum=.0; For(j, ns) sum += mod->mat_Q[i*ns+j]; mod->mat_Q[i*ns+i] = -sum; mod->mr += mod->pi[i] * sum; } /* scale instantaneous rate matrix so that mu=1 */ For (i,ns*ns) mod->mat_Q[i] /= mod->mr; /* compute eigenvectors/values */ result = 0; if (result==eigen(1, mod->mat_Q,ns,dr,di,mod->mat_Vr, mod->mat_Vi, space)) { /* compute inverse(Vr) into Vi */ For (i,ns*ns) mod->mat_Vi[i] = mod->mat_Vr[i]; Matinv(mod->mat_Vi, ns, ns, space); /* compute the diagonal terms of exp(D) */ For (i,ns) mod->vct_eDmr[i] = exp(dr[i]); } else { if (result==-1) printf("\n. Eigenvalues/vectors computation does not converge : computation cancelled"); else if (result==1) printf("\n. Complex eigenvalues/vectors : computation cancelled"); } } mod->alpha_old = mod->alpha; mod->kappa_old = mod->kappa; mod->lambda_old = mod->lambda; mod->pinvar_old = mod->pinvar; free(dr);free(di);free(space); } /*********************************************************/ void Update_Qmat_GTR(model *mod) { int result; int i,j,ns; double *di,*space,*mat_buff; ns = 4; di = (double *)mCalloc(ns,sizeof(double)); space = (double *)mCalloc(2*ns,sizeof(double)); mat_buff = (double *)mCalloc(ns*ns,sizeof(double)); mod->mat_Q[0*4+1] = *(mod->rr_param[0])*mod->pi[1]; mod->mat_Q[0*4+2] = *(mod->rr_param[1])*mod->pi[2]; mod->mat_Q[0*4+3] = *(mod->rr_param[2])*mod->pi[3]; mod->mat_Q[1*4+0] = *(mod->rr_param[0])*mod->pi[0]; mod->mat_Q[1*4+2] = *(mod->rr_param[3])*mod->pi[2]; mod->mat_Q[1*4+3] = *(mod->rr_param[4])*mod->pi[3]; mod->mat_Q[2*4+0] = *(mod->rr_param[1])*mod->pi[0]; mod->mat_Q[2*4+1] = *(mod->rr_param[3])*mod->pi[1]; mod->mat_Q[2*4+3] = 1.0*mod->pi[3]; mod->mat_Q[3*4+0] = *(mod->rr_param[2])*mod->pi[0]; mod->mat_Q[3*4+1] = *(mod->rr_param[4])*mod->pi[1]; mod->mat_Q[3*4+2] = 1.0*mod->pi[2]; mod->mat_Q[0*4+0] = -(*(mod->rr_param[0])*mod->pi[1]+*(mod->rr_param[1])*mod->pi[2]+*(mod->rr_param[2])*mod->pi[3]); mod->mat_Q[1*4+1] = -(*(mod->rr_param[0])*mod->pi[0]+*(mod->rr_param[3])*mod->pi[2]+*(mod->rr_param[4])*mod->pi[3]); mod->mat_Q[2*4+2] = -(*(mod->rr_param[1])*mod->pi[0]+*(mod->rr_param[3])*mod->pi[1]+1.0*mod->pi[3]); mod->mat_Q[3*4+3] = -(*(mod->rr_param[2])*mod->pi[0]+*(mod->rr_param[4])*mod->pi[1]+1.0*mod->pi[2]); /* compute diagonal terms of Q and mean rate mr = l/t */ mod->mr = .0; For (i,ns) mod->mr += mod->pi[i] * (-mod->mat_Q[i*ns+i]); For(i,ns*ns) mod->mat_Q[i] /= mod->mr; /* printf("mr=%f\n",mod->mr); */ /* compute eigenvectors/values */ result = 0; For(i,ns) For(j,ns) mat_buff[i*ns+j] = mod->mat_Q[i*ns+j]; if (result==eigen(1,mat_buff,ns,mod->vct_ev,di,mod->mat_Vr, mod->mat_Vi, space)) { /* compute inverse(Vr) into Vi */ For (i,ns*ns) mod->mat_Vi[i] = mod->mat_Vr[i]; Matinv(mod->mat_Vi, ns, ns, space); /* compute the diagonal terms of exp(D) */ For (i,ns) mod->vct_eDmr[i] = exp(mod->vct_ev[i]); } else { if (result==-1) printf("eigenvalues/vectors computation does not converge : computation cancelled"); else if (result==1) printf("complex eigenvalues/vectors : computation cancelled"); } Free(di); Free(space); Free(mat_buff); } /*********************************************************/ void Translate_Custom_Mod_String(model *mod) { int identity; int i,j; int *n_diff_param; int *mod_code; mod_code = (int *)mCalloc(6,sizeof(int)); n_diff_param = &(mod->n_diff_rr_param); *n_diff_param=0; For(i,6) { identity = -1; For(j,i) { if((mod->custom_mod_string[i] == mod->custom_mod_string[j])) { identity = j; break; } } if(identity == -1) { mod->rr_param_num[*n_diff_param][0] = i; mod->n_rr_param_per_cat[*n_diff_param] = 1; mod_code[i] = *n_diff_param; (*n_diff_param)++; } else { mod_code[i] = mod_code[identity]; mod->rr_param_num[mod_code[i]] [mod->n_rr_param_per_cat[mod_code[i]]] = i; mod->n_rr_param_per_cat[mod_code[i]] += 1; } } Free(mod_code); } /*********************************************************/ void Set_Model_Parameters(arbre *tree) { double sum; int i; DiscreteGamma (tree->mod->r_proba, tree->mod->rr, tree->mod->alpha, tree->mod->alpha,tree->mod->n_catg,0); if((tree->mod->whichmodel < 10) && (tree->mod->s_opt->opt_bfreq)) { sum = .0; For(i,4) sum += tree->mod->pi[i]; For(i,4) { tree->mod->pi[i] /= sum; /* printf("pi[%d]->%f\n",i+1,tree->mod->pi[i]); */ } } if(tree->mod->whichmodel >= 7) { For(i,6) { tree->mod->rr_param_values[i] /= tree->mod->rr_param_values[5]; } } if(tree->mod->update_eigen) { if(tree->mod->datatype == NT) { if(tree->mod->whichmodel < 20) Update_Qmat_GTR(tree->mod); } } } /*********************************************************/ ./arbsrc_9167/GDE/PHYML/models.h0000644012664100000130000000306411213220011016045 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef MODELS_H #define MODELS_H void PMat(double l, model *mod, double ***Pij); void PMat_K80(double l,double kappa, double ***Pij); void PMat_TN93(double l, model *mod, double ***Pij); void PMat_Empirical(double l, model *mod, double ***Pij); void dPMat(double l, double rr, model *mod, double ***dPij); void d2PMat(double l, double rr, model *mod, double ***d2Pij); void dPMat_K80(double l, double ***dPij, double rr, double k); void d2PMat_K80(double l, double ***d2Pij, double rr, double k); void dPMat_TN93(double l, double ***dPij, model *mod, double rr); void d2PMat_TN93(double l, double ***dPij, model *mod, double rr); int GetDaa (double *daa, double *pi, char *file_name); int Matinv (double *x, int n, int m, double *space); void Init_Model(allseq *data, model *mod); int Init_Qmat_Dayhoff(double *daa, double *pi); int Init_Qmat_JTT(double *daa, double *pi); void Update_Qmat_GTR(model *mod); void Translate_Custom_Mod_String(model *mod); int Init_Qmat_WAG(double *daa, double *pi); void Set_Model_Parameters(arbre *tree); int Init_Qmat_RtREV(double *daa, double *pi); int Init_Qmat_CpREV(double *daa, double *pi); int Init_Qmat_VT(double *daa, double *pi); int Init_Qmat_Blosum62(double *daa, double *pi); int Init_Qmat_MtMam(double *daa, double *pi); #endif ./arbsrc_9167/GDE/PHYML/optimiz.c0000644012664100000130000011243011213220011016246 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "optimiz.h" #include "lk.h" #include "free.h" /* double UNLIKELY; */ /* double ROUND_MAX; */ /* double MIN_DIFF_LK; */ /*********************************************************/ void Optimize_Single_Param_Generic(arbre *tree, double *param, double start, double lim_inf, double lim_sup, int n_max_iter) { double ax,bx,cx; /* double fa,fb,fc; */ double lk_init; lk_init = tree->tot_loglk; tree->mod->s_opt->opt_bl = tree->both_sides = 0; ax = lim_inf; if((*param < lim_inf) || (*param > lim_sup)) bx = (lim_sup-lim_inf)/2.; else bx = start; cx = lim_sup; /* Generic_Brak(param, */ /* &ax,&bx,&cx, */ /* &fa,&fb,&fc, */ /* lim_inf, lim_sup, */ /* tree); */ Generic_Brent(param, ax,bx,cx,1.e-10, param,tree,n_max_iter); if(tree->tot_loglk < lk_init-MIN_DIFF_LK) { printf("\n %.10f < %.10f --> diff=%.10f\n", tree->tot_loglk,lk_init, tree->tot_loglk-lk_init); Exit("\n. Optimisation failed !\n"); } } /*********************************************************/ int Generic_Brak(double *param, double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, double lim_inf, double lim_sup, arbre *tree) { double ulim,u,r,q,fu,dum; u = 0.0; *param = *ax; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fa=-Return_Lk(tree); *param = *bx; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fb=-Return_Lk(tree); if (*fb > *fa) { SHFT(dum,*ax,*bx,dum) SHFT(dum,*fb,*fa,dum) } *cx=(*bx)+MNBRAK_GOLD*(*bx-*ax); *param = fabs(*cx); if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fc=-Return_Lk(tree); while (*fb > *fc) { if(*ax > lim_sup) *ax = lim_sup; if(*ax < lim_inf) *ax = lim_inf; if(*bx > lim_sup) *bx = lim_sup; if(*bx < lim_inf) *bx = lim_inf; if(*cx > lim_sup) *cx = lim_sup; if(*cx < lim_inf) *cx = lim_inf; if(u > lim_sup) u = lim_sup; if(u < lim_inf) u = lim_inf; r=(*bx-*ax)*(*fb-*fc); q=(*bx-*cx)*(*fb-*fa); u=(*bx)-((*bx-*cx)*q-(*bx-*ax)*r)/ (2.0*SIGN(MAX(fabs(q-r),MNBRAK_TINY),q-r)); ulim=(*bx)+MNBRAK_GLIMIT*(*cx-*bx); if ((*bx-u)*(u-*cx) > lim_inf) { *param = fabs(u); if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu=-Return_Lk(tree); if (fu < *fc) { *ax=(*bx); *bx=u; *fa=(*fb); *fb=fu; (*ax)=fabs(*ax); (*bx)=fabs(*bx); (*cx)=fabs(*cx); return(0); } else if (fu > *fb) { *cx=u; *fc=fu; (*ax)=fabs(*ax); (*bx)=fabs(*bx); (*cx)=fabs(*cx); return(0); } u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = fabs(u); if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu=-Return_Lk(tree); } else if ((*cx-u)*(u-ulim) > lim_inf) { *param = fabs(u); if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu=-Return_Lk(tree); if (fu < *fc) { SHFT(*bx,*cx,u,*cx+MNBRAK_GOLD*(*cx-*bx)) *param = fabs(u); SHFT(*fb,*fc,fu,-Return_Lk(tree)) } } else if ((u-ulim)*(ulim-*cx) >= lim_inf) { u=ulim; *param = fabs(u); if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu=-Return_Lk(tree); } else { u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = fabs(u); if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu=-Return_Lk(tree); } SHFT(*ax,*bx,*cx,u) SHFT(*fa,*fb,*fc,fu) } (*ax)=fabs(*ax); (*bx)=fabs(*bx); (*cx)=fabs(*cx); return(0); } /*********************************************************/ double Generic_Brent(double *param, double ax, double bx, double cx, double tol, double *xmin, arbre *tree, int n_iter_max) { int iter; double a,b,d,etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double e=0.0; double init_loglk, max_loglk; double bestx; d=0.0; a=((ax < cx) ? ax : cx); b=((ax > cx) ? ax : cx); x=w=v=bx; *param=bx; Lk(tree,tree->data); fw=fv=fx=-tree->tot_loglk; init_loglk = tree->tot_loglk; max_loglk = UNLIKELY; bestx = bx; for(iter=1;iter<=BRENT_ITMAX;iter++) { xm=0.5*(a+b); tol2=2.0*(tol1=tol*fabs(x)+BRENT_ZEPS); if(fabs(x-xm) <= (tol2-0.5*(b-a))) { if(tree->tot_loglk < init_loglk - MIN_DIFF_LK) { printf("\n. WARNING : Brent failed\n"); *param = bestx; Lk(tree,tree->data); } *xmin=x; return -fx; } if(fabs(e) > tol1) { r=(x-w)*(fx-fv); q=(x-v)*(fx-fw); p=(x-v)*q-(x-w)*r; q=2.0*(q-r); if(q > 0.0) p = -p; q=fabs(q); etemp=e; e=d; if(fabs(p) >= fabs(0.5*q*etemp) || p <= q*(a-x) || p >= q*(b-x)) { d=BRENT_CGOLD*(e=(x >= xm ? a-x : b-x)); /* printf("Golden section step\n"); */ } else { d=p/q; u=x+d; if (u-a < tol2 || b-u < tol2) d=SIGN(tol1,xm-x); /* printf("Parabolic step\n"); */ } } else { d=BRENT_CGOLD*(e=(x >= xm ? a-x : b-x)); /* printf("Golden section step (default)\n"); */ } u=(fabs(d) >= tol1 ? x+d : x+SIGN(tol1,d)); *param=u; Lk(tree,tree->data); fu=-tree->tot_loglk; if(tree->tot_loglk > max_loglk) { max_loglk = tree->tot_loglk; bestx = u; } /* printf("param=%f loglk=%f\n",*param,tree->tot_loglk); */ if(fu <= fx) { if(iter > n_iter_max) { if(tree->tot_loglk < init_loglk - MIN_DIFF_LK) printf("\n. WARNING : Brent failed\n"); return tree->tot_loglk; } if(u >= x) a=x; else b=x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if (u < x) a=u; else b=u; if (fu <= fw || w == x) { v=w; w=u; fv=fw; fw=fu; } else if (fu <= fv || v == x || v == w) { v=u; fv=fu; } } } Exit("\n. Too many iterations in BRENT !"); return(-1); /* Not Reached ?? *xmin=x; */ /* Not Reached ?? return fx; */ } /*********************************************************/ double RRparam_GTR_Golden(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, allseq *alldata, double *param, int n_iter_max) { double f1,f2,x0,x1,x2,x3; int n_iter; x0=ax; x3=cx; if (fabs(cx-bx) > fabs(bx-ax)) { x1=bx; x2=bx+GOLDEN_C*(cx-bx); } else { x2=bx; x1=bx-GOLDEN_C*(bx-ax); } (*param)=x1; Lk(tree,alldata); f1=-tree->tot_loglk; (*param)=x2; Lk(tree,alldata); f2=-tree->tot_loglk; n_iter = 0; while (fabs(x3-x0) > tol*(fabs(x1)+fabs(x2))) { if (f2 < f1) { SHFT3(x0,x1,x2,GOLDEN_R*x1+GOLDEN_C*x3) (*param)=x2; Lk(tree,alldata); SHFT2(f1,f2,-tree->tot_loglk) } else { SHFT3(x3,x2,x1,GOLDEN_R*x2+GOLDEN_C*x0) (*param)=x1; Lk(tree,alldata); SHFT2(f2,f1,-tree->tot_loglk) } if(n_iter++ > n_iter_max) break; /* printf("p=%E %f\n",(*param),tree->tot_loglk); */ } if (f1 < f2) { *xmin=x1; return f1; } else { *xmin=x2; return f2; } } /*********************************************************/ double Br_Len_Golden(double ax, double bx, double cx, double tol, double *xmin, edge *b_fcus, arbre *tree) { double f1,f2,x0,x1,x2,x3; x0=ax; x3=cx; if (fabs(cx-bx) > fabs(bx-ax)) { x1=bx; x2=bx+GOLDEN_C*(cx-bx); } else { x2=bx; x1=bx-GOLDEN_C*(bx-ax); } b_fcus->l=x1; f1 = -Lk_At_Given_Edge(tree,b_fcus); b_fcus->l=x2; f2 = -Lk_At_Given_Edge(tree,b_fcus); while (fabs(x3-x0) > tol*(fabs(x1)+fabs(x2))) { if (f2 < f1) { SHFT3(x0,x1,x2,GOLDEN_R*x1+GOLDEN_C*x3) b_fcus->l=x2; SHFT2(f1,f2,-Lk_At_Given_Edge(tree,b_fcus)) } else { SHFT3(x3,x2,x1,GOLDEN_R*x2+GOLDEN_C*x0) b_fcus->l=x1; SHFT2(f2,f1,-Lk_At_Given_Edge(tree,b_fcus)) } } if (f1 < f2) { *xmin=fabs(x1); return -f1; } else { *xmin=fabs(x2); return -f2; } } /*********************************************************/ int Br_Len_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, edge *b_fcus, arbre *tree) { double ulim,u,r,q,fu,dum; b_fcus->l = *ax; *fa=-Lk_At_Given_Edge(tree,b_fcus); b_fcus->l = *bx; *fb=-Lk_At_Given_Edge(tree,b_fcus); if (*fb > *fa) { SHFT(dum,*ax,*bx,dum) SHFT(dum,*fb,*fa,dum) } *cx=(*bx)+MNBRAK_GOLD*(*bx-*ax); b_fcus->l = fabs(*cx); *fc=-Lk_At_Given_Edge(tree,b_fcus); while (*fb > *fc) { r=(*bx-*ax)*(*fb-*fc); q=(*bx-*cx)*(*fb-*fa); u=(*bx)-((*bx-*cx)*q-(*bx-*ax)*r)/ (2.0*SIGN(MAX(fabs(q-r),MNBRAK_TINY),q-r)); ulim=(*bx)+MNBRAK_GLIMIT*(*cx-*bx); if ((*bx-u)*(u-*cx) > 0.0) { b_fcus->l = fabs(u); fu=-Lk_At_Given_Edge(tree,b_fcus); if (fu < *fc) { *ax=(*bx); *bx=u; *fa=(*fb); *fb=fu; (*ax)=fabs(*ax); (*bx)=fabs(*bx); (*cx)=fabs(*cx); return(0); } else if (fu > *fb) { *cx=u; *fc=fu; (*ax)=fabs(*ax); (*bx)=fabs(*bx); (*cx)=fabs(*cx); return(0); } u=(*cx)+MNBRAK_GOLD*(*cx-*bx); b_fcus->l = fabs(u); fu=-Lk_At_Given_Edge(tree,b_fcus); } else if ((*cx-u)*(u-ulim) > 0.0) { b_fcus->l = fabs(u); fu=-Lk_At_Given_Edge(tree,b_fcus); if (fu < *fc) { SHFT(*bx,*cx,u,*cx+MNBRAK_GOLD*(*cx-*bx)) b_fcus->l = fabs(u); SHFT(*fb,*fc,fu,-Lk_At_Given_Edge(tree,b_fcus)) } } else if ((u-ulim)*(ulim-*cx) >= 0.0) { u=ulim; b_fcus->l = fabs(u); fu=-Lk_At_Given_Edge(tree,b_fcus); } else { u=(*cx)+MNBRAK_GOLD*(*cx-*bx); b_fcus->l = fabs(u); fu=-Lk_At_Given_Edge(tree,b_fcus); } SHFT(*ax,*bx,*cx,u) SHFT(*fa,*fb,*fc,fu) } (*ax)=fabs(*ax); (*bx)=fabs(*bx); (*cx)=fabs(*cx); return(0); } /*********************************************************/ double Br_Len_Brent(double ax, double bx, double cx, double tol, double *xmin, edge *b_fcus, arbre *tree, int n_iter_max) { int iter; double a,b,d,etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double e=0.0; d=0.0; a=((ax < cx) ? ax : cx); b=((ax > cx) ? ax : cx); x=w=v=bx; b_fcus->l = fabs(bx); fw=fv=fx=-Lk_At_Given_Edge(tree,b_fcus); for(iter=1;iter<=BRENT_ITMAX;iter++) { xm=0.5*(a+b); tol2=2.0*(tol1=tol*fabs(x)+BRENT_ZEPS); if(fabs(x-xm) <= (tol2-0.5*(b-a))) { *xmin=x; Lk_At_Given_Edge(tree,b_fcus); return -fx; } if(fabs(e) > tol1) { r=(x-w)*(fx-fv); q=(x-v)*(fx-fw); p=(x-v)*q-(x-w)*r; q=2.0*(q-r); if(q > 0.0) p = -p; q=fabs(q); etemp=e; e=d; if(fabs(p) >= fabs(0.5*q*etemp) || p <= q*(a-x) || p >= q*(b-x)) d=BRENT_CGOLD*(e=(x >= xm ? a-x : b-x)); else{ d=p/q; u=x+d; if (u-a < tol2 || b-u < tol2) d=SIGN(tol1,xm-x); } } else { d=BRENT_CGOLD*(e=(x >= xm ? a-x : b-x)); } u=(fabs(d) >= tol1 ? x+d : x+SIGN(tol1,d)); if(ul=fabs(u); fu=-Lk_At_Given_Edge(tree,b_fcus); /* printf("edge %d l=%f lnL=%f\n",b_fcus->num,b_fcus->l,fu); */ if(fu <= fx) { if(iter > n_iter_max) { printf("\n. WARNING : too many iterations in Brent\n"); b_fcus->l = fabs(bx); Lk_At_Given_Edge(tree,b_fcus); return tree->tot_loglk; } if(u >= x) a=x; else b=x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if (u < x) a=u; else b=u; if (fu <= fw || w == x) { v=w; w=u; fv=fw; fw=fu; } else if (fu <= fv || v == x || v == w) { v=u; fv=fu; } } } printf("Too many iterations in BRENT"); return(-1); /* Not Reached ?? *xmin=x; */ /* Not Reached ?? return fx; */ } /*********************************************************/ int Dist_Seq_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, allseq *data, int numseq1, int numseq2, model *mod) { double ulim,u,r,q,fu,dum; double dist; double lk,dlk,d2lk; dist = *ax; *fa=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); dist = *bx; *fb=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); if (*fb > *fa) { SHFT(dum,*ax,*bx,dum) SHFT(dum,*fb,*fa,dum) } *cx=(*bx)+MNBRAK_GOLD*(*bx-*ax); dist = fabs(*cx); *fc=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); while (*fb > *fc) { r=(*bx-*ax)*(*fb-*fc); q=(*bx-*cx)*(*fb-*fa); u=(*bx)-((*bx-*cx)*q-(*bx-*ax)*r)/ (2.0*SIGN(MAX(fabs(q-r),MNBRAK_TINY),q-r)); ulim=(*bx)+MNBRAK_GLIMIT*(*cx-*bx); if ((*bx-u)*(u-*cx) > 0.0) { dist = fabs(u); fu=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); if (fu < *fc) { *ax=(*bx); *bx=u; *fa=(*fb); *fb=fu; return(0); } else if (fu > *fb) { *cx=u; *fc=fu; return(0); } u=(*cx)+MNBRAK_GOLD*(*cx-*bx); dist = fabs(u); fu=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); } else if ((*cx-u)*(u-ulim) > 0.0) { dist = fabs(u); fu=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); if (fu < *fc) { SHFT(*bx,*cx,u,*cx+MNBRAK_GOLD*(*cx-*bx)) dist = fabs(u); SHFT(*fb,*fc,fu,-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk)) } } else if ((u-ulim)*(ulim-*cx) >= 0.0) { u=ulim; dist = fabs(u); fu=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); } else { u=(*cx)+MNBRAK_GOLD*(*cx-*bx); dist = fabs(u); fu=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); } SHFT(*ax,*bx,*cx,u) SHFT(*fa,*fb,*fc,fu) } return(0); } /*********************************************************/ double Dist_Seq_Brent(double ax, double bx, double cx, double tol, double *xmin, allseq *data, int numseq1, int numseq2, model *mod) { int iter; double a,b,d,etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double e=0.0; double dist; double lk,dlk,d2lk; d=0.0; a=((ax < cx) ? ax : cx); b=((ax > cx) ? ax : cx); x=w=v=bx; dist = fabs(bx); fw=fv=fx=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); for(iter=1;iter<=BRENT_ITMAX;iter++) { xm=0.5*(a+b); tol2=2.0*(tol1=tol*fabs(x)+BRENT_ZEPS); if(fabs(x-xm) <= (tol2-0.5*(b-a))) { *xmin=x; return -fx; } if(fabs(e) > tol1) { r=(x-w)*(fx-fv); q=(x-v)*(fx-fw); p=(x-v)*q-(x-w)*r; q=2.0*(q-r); if(q > 0.0) p = -p; q=fabs(q); etemp=e; e=d; if(fabs(p) >= fabs(0.5*q*etemp) || p <= q*(a-x) || p >= q*(b-x)) d=BRENT_CGOLD*(e=(x >= xm ? a-x : b-x)); else{ d=p/q; u=x+d; if (u-a < tol2 || b-u < tol2) d=SIGN(tol1,xm-x); } } else { d=BRENT_CGOLD*(e=(x >= xm ? a-x : b-x)); } u=(fabs(d) >= tol1 ? x+d : x+SIGN(tol1,d)); dist=fabs(u); fu=-Lk_Given_Two_Seq(data,numseq1,numseq2,dist,mod,&lk,&dlk,&d2lk); if(fu <= fx) { if(u >= x) a=x; else b=x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if (u < x) a=u; else b=u; if (fu <= fw || w == x) { v=w; w=u; fv=fw; fw=fu; } else if (fu <= fv || v == x || v == w) { v=u; fv=fu; } } } printf("\n . BRENT method failed, trying Newton-Raphson"); return(+1.0); /* Not Reached ?? *xmin=x; */ /* Not Reached ?? return fx; */ } /*********************************************************/ double Optimize_Dist(model *mod, double init, allseq *twoseqs) { double d_infa,d_max,d_infb; double lk_infa, lk_max, lk_infb, lk; d_infa = 100.*BL_MIN; d_max = init; d_infb = 3.*init; if(init <= BL_MIN) {d_infa = -BL_START; d_max = .0; d_infb = BL_START;} lk_infa = lk_max = lk_infb = .0; Dist_Seq_Brak(&d_infa, &d_max, &d_infb, &lk_infa,&lk_max,&lk_infb, twoseqs,0,1,mod); lk = (double)Dist_Seq_Brent(d_infa,d_max,d_infb, 1.e-5,&d_max,twoseqs,0,1,mod); if(lk > .0) return -1.0; else return d_max; } /*********************************************************/ void Round_Optimize(arbre *tree, allseq *data) { int n_round,each; double lk_old, lk_new, tol; node *root; lk_new = tree->tot_loglk; lk_old = UNLIKELY; n_round = 0; each = 1; tol = 1.e-2; root = tree->noeud[0]; tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; Lk(tree,data); while(n_round < ROUND_MAX) { (!((n_round+2)%2))?(root=tree->noeud[0]):(root=tree->noeud[tree->n_otu-1]); Optimize_Br_Len_Serie(root, root->v[0], root->b[0], tree, data, 5); tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; Lk(tree,data); if(!each) { each = 1; if(tree->mod->s_opt->print) printf("\n"); Optimiz_All_Free_Param(tree,tree->mod->s_opt->print); tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; Lk(tree,data); } lk_new = tree->tot_loglk; if(tree->mod->s_opt->print) { if(lk_old < UNLIKELY+1) printf("\n. Log(lk) : * -> %15.6f ",lk_new); else printf("\n. Log(lk) : %15.6f -> %15.6f ",lk_old,lk_new); fflush(NULL); } if(lk_new < lk_old - MIN_DIFF_LK) Exit("\n. Optimisation failed ! (Round_Optimize)\n"); if(fabs(lk_new - lk_old) < MIN_DIFF_LK) break; else lk_old = lk_new; n_round++; each--; } if(tree->mod->s_opt->print) printf("\n"); Optimiz_All_Free_Param(tree,tree->mod->s_opt->print); } /*********************************************************/ void Optimize_Br_Len_Serie(node *a, node *d, edge *b_fcus, arbre *tree,allseq *alldata, int n_passes) { int i; double l_infa,l_max,l_infb; double lk_init; lk_init = tree->tot_loglk; l_infa = 10.*b_fcus->l; l_max = b_fcus->l; l_infb = BL_MIN; Br_Len_Brent(l_infa,l_max,l_infb, 1.e-5, &(b_fcus->l), b_fcus,tree,1000); /* Golden method is generally slower than Brent */ /* Br_Len_Golden(l_infa,l_max,l_infb, */ /* 1.e-5, */ /* &(b_fcus->l), */ /* b_fcus,tree); */ /* printf("Edge %d -> %20f\n",b_fcus->num,tree->tot_loglk); */ if(tree->tot_loglk < lk_init - MIN_DIFF_LK) { printf("%f %f %f %f\n",l_infa,l_max,l_infb,b_fcus->l); printf("%f -- %f \n",lk_init,tree->tot_loglk); Exit("\n. Err. in Optimize_Br_Len_Serie\n"); } /* printf("Edge %3d -> %f %f\n", */ /* b_fcus->num, */ /* tree->tot_loglk, */ /* b_fcus->l); fflush(NULL); */ if(d->tax) return; else For(i,3) if(d->v[i] != a) { Update_P_Lk(tree,d->b[i],d); Optimize_Br_Len_Serie(d,d->v[i],d->b[i],tree,alldata,n_passes); } For(i,3) if((d->v[i] == a) && !(d->v[i]->tax)) Update_P_Lk(tree,d->b[i],d); } /*********************************************************/ double Br_Len_NR(arbre *tree,allseq *alldata, edge *b_fcus, int n_passes) { int n_iter, n_iter_mov,edge_num; double step_edge,lk_new,lk_old; double l_branch_best; int l_r,r_l; double mult; int old_opt; old_opt = tree->mod->s_opt->opt_bl; tree->mod->s_opt->opt_bl = tree->both_sides = 1; edge_num = b_fcus->num; l_branch_best = b_fcus->l; step_edge = .0; l_r = b_fcus->l_r; r_l = b_fcus->r_l; lk_new = lk_old = UNLIKELY; n_iter = 0; for(;;) { lk_new = Lk_At_Given_Edge(tree,b_fcus); if(fabs(lk_new - lk_old) < MIN_DIFF_LK) break; else { if((lk_new > lk_old+MIN_DIFF_LK) || (!n_iter)) { lk_old = lk_new; l_branch_best = b_fcus->l; } else if((lk_new < lk_old-MIN_DIFF_LK) && (lk_old != 0.0)) { tree->mod->s_opt->opt_bl = tree->both_sides = 0; n_iter_mov = 0; while(lk_new < lk_old-MIN_DIFF_LK) { step_edge *= .5; b_fcus->l = l_branch_best + step_edge; if(b_fcus->l < BL_MIN) b_fcus->l = BL_MIN; lk_new = Lk_At_Given_Edge(tree,b_fcus); n_iter_mov++; if(n_iter_mov > 10) { b_fcus->l = l_branch_best; lk_new = Lk_At_Given_Edge(tree,b_fcus); tree->mod->s_opt->opt_bl = tree->both_sides = old_opt; return lk_new; } } tree->mod->s_opt->opt_bl = tree->both_sides = 1; lk_new = Lk_At_Given_Edge(tree,b_fcus); tree->tot_dloglk[edge_num] = .0; } } mult = 0; step_edge = -tree->tot_dloglk[edge_num] / tree->tot_d2loglk[edge_num]; if(tree->tot_d2loglk[edge_num] > .0) { b_fcus->l /= 1.2; step_edge = 0; } while(fabs(step_edge) > b_fcus->l) step_edge /= 1.2; b_fcus->l += step_edge; if(b_fcus->l < BL_MIN) { b_fcus->l = BL_MIN; break; } n_iter++; if(n_iter > n_passes) break; } tree->mod->s_opt->opt_bl = tree->both_sides = old_opt; return lk_new; } /*********************************************************/ void Moving_Backward(arbre *tree, allseq *alldata, double **step, double lk_base, double *l_branch_init) { double lk_new; int i,n_iter_max; tree->mod->s_opt->opt_bl = tree->both_sides = 0; n_iter_max = 10; lk_new = lk_base-MIN_DIFF_LK-1.; For(i,2*tree->n_otu-3) { tree->t_edges[i]->l = l_branch_init[i]; tree->tot_dloglk[i] = .0; tree->tot_d2loglk[i] = -.1; } while(lk_new < lk_base-MIN_DIFF_LK) { if(!n_iter_max) { For(i,2*tree->n_otu-3) tree->t_edges[i]->l = l_branch_init[i]; tree->mod->s_opt->opt_bl = tree->both_sides = 1; return; } For(i,2*tree->n_otu-3) { (*step)[i] *= .5; tree->t_edges[i]->l += (*step)[i]; if(tree->t_edges[i]->l < BL_MIN) tree->t_edges[i]->l = BL_MIN; } Lk(tree,alldata); lk_new = tree->tot_loglk; n_iter_max--; } tree->mod->s_opt->opt_bl = tree->both_sides = 1; } /*********************************************************/ double Optimize_One_Dist(allseq *data, int numseq1, int numseq2, double init_dist, model *mod) { int n_iter, n_iter_mov; double lk_new,lk_old,lk_best; double step; double dlk,d2lk; double dist_new,dist_best; step = .0; dlk = d2lk = .0; lk_old = lk_new = lk_best = .0; dist_new = dist_best = init_dist; n_iter = 0; for(;;) { if(dist_new < BL_MIN) dist_new = BL_MIN; Lk_Given_Two_Seq(data,numseq1,numseq2,dist_new,mod,&lk_new,&dlk,&d2lk); if(((fabs(lk_new - lk_old) < MIN_DIFF_LK) && (lk_new >= lk_old))) break; else { if(((fabs(lk_new - lk_old) > MIN_DIFF_LK) && (lk_new > lk_old)) || (!n_iter)) { dist_best = dist_new; lk_best = lk_new; lk_old = lk_new; } else { n_iter_mov = 20; do { dist_new = dist_best; step /= 2.; dist_new += step; Lk_Given_Two_Seq(data,numseq1,numseq2, dist_new,mod,&lk_new,&dlk,&d2lk); n_iter_mov--; if(!n_iter_mov) return dist_best; }while(lk_new < lk_best); dlk = .0; } } step = -dlk/d2lk; if(d2lk > 0.0) { step = .0; dist_new /= 1.5; } while(fabs(step) > dist_new) step /= 1.5; dist_new += step; n_iter++; if(n_iter > 50) break; } return dist_new; } /*********************************************************/ void Print_Lk_Progress(arbre *tree, double lk_new, double lk_old, int n_iter) { if(!n_iter) printf("\n. Log(lk) : * -> %15.6f ",lk_new); else printf("\n. Log(lk) : %15.6f -> %15.6f ",lk_old,lk_new); fflush(stdout); } /*********************************************************/ int Count_Swap(arbre *tree) { int i; tree->n_swap = 0; For(i,2*tree->n_otu-3) { if((!tree->t_edges[i]->left->tax) && (!tree->t_edges[i]->rght->tax)) { if(tree->t_edges[i]->diff_lk > -2.0) { tree->n_swap++; } } } return tree->n_swap; } /*********************************************************/ void Optimiz_Ext_Br(arbre *tree) { int i; edge *b; double l_infa,l_max,l_infb,l_init; double lk, lk_init; lk_init = tree->tot_loglk; For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; if((b->left->tax) || (b->rght->tax)) { l_init = b->l; l_infa = 100.; l_max = b->l; l_infb = -10.; lk = Br_Len_Brent(l_infa,l_max,l_infb, 1.e-5, &(b->l), b,tree,1000); b->ql[0] = b->l; b->best_conf = 1; b->l = l_init; } } tree->tot_loglk = lk_init; } /*********************************************************/ void Optimiz_All_Free_Param(arbre *tree, int verbose) { int init_both_sides, init_derivatives; init_both_sides = tree->both_sides; init_derivatives = tree->mod->s_opt->opt_bl; tree->both_sides = 0; tree->mod->s_opt->opt_bl = 0; if((tree->mod->whichmodel == 7) || ((tree->mod->whichmodel == 8) && (tree->mod->s_opt->opt_rr_param) && (tree->mod->n_diff_rr_param > 1))) { int failed; failed = 0; if(verbose) { (tree->mod->whichmodel == 7)? (printf("\n. Optimisation of the GTR parameters...\n")): (printf("\n. Optimisation of the custom model parameters...\n")); } tree->mod->update_eigen = 1; BFGS(tree,tree->mod->rr_param_values,tree->mod->n_diff_rr_param,1.e-5,1.e-7, &Return_Abs_Lk, &Num_Derivative_Several_Param , &Lnsrch_RR_Param,&failed); if(failed) { int i; printf("\n. Optimising one-by-one...\n"); For(i,tree->mod->n_diff_rr_param) if(i != 5) Optimize_Single_Param_Generic(tree,&(tree->mod->rr_param_values[i]),tree->mod->rr_param_values[i],1.E-20,1.E+10,1000); } tree->mod->update_eigen = 0; } if(tree->mod->s_opt->opt_kappa) { if(verbose) printf("\n. Optimisation of the ts/tv ratio...\n");fflush(stdout); Optimize_Single_Param_Generic(tree,&(tree->mod->kappa),tree->mod->kappa,0.1,100,100); /* printf("kappa = %f\n",tree->mod->kappa); */ } if(tree->mod->s_opt->opt_lambda) { Optimize_Single_Param_Generic(tree,&(tree->mod->lambda),tree->mod->lambda,0.001,100,50); /* printf("lambda = %f\n",tree->mod->lambda); */ } if(tree->mod->s_opt->opt_pinvar) { if(verbose) printf("\n. Optimisation of the proportion of invariable sites...\n");fflush(stdout); tree->mod->pinvar = 0.5; Optimize_Single_Param_Generic(tree,&(tree->mod->pinvar),tree->mod->pinvar,0.0001,0.9999,100); /* printf("p-invar = %f\n",tree->mod->pinvar); */ } if(tree->mod->s_opt->opt_alpha) { if(verbose) printf("\n. Optimisation of the gamma shape parameter...\n");fflush(stdout); Optimize_Single_Param_Generic(tree,&(tree->mod->alpha),tree->mod->alpha,0.01,100,100); /* printf("alpha = %f %f\n",tree->mod->alpha,Return_Lk(tree)); */ } if(tree->mod->s_opt->opt_bfreq) { int failed,i; failed = 0; tree->mod->update_eigen = 1; if(verbose) printf("\n. Optimisation of nucleotide frequencies...\n"); BFGS(tree,tree->mod->pi,4,1.e-5,1.e-7,&Return_Abs_Lk,&Num_Derivative_Several_Param,&Lnsrch_Nucleotide_Frequencies,&failed); if(failed) { For(i,5) Optimize_Single_Param_Generic(tree,&(tree->mod->pi[i]),tree->mod->pi[i],1.E-10,0.999999,1000); } tree->mod->update_eigen = 0; } tree->both_sides = init_both_sides; tree->mod->s_opt->opt_bl = init_derivatives; } #define ITMAX 200 #define EPS 3.0e-8 #define TOLX (4*EPS) #define STPMX 100.0 static double sqrarg; #define SQR(a) ((sqrarg=(a)) == 0.0 ? 0.0 : sqrarg*sqrarg) void BFGS(arbre *tree, double *p, int n, double gtol, double step_size, double(*func)(), void (*dfunc)(), void (*lnsrch)(),int *failed) { int check,i,its,j; double den,fac,fad,fae,fp,stpmax,sum=0.0,sumdg,sumxi,temp,test,fret; double *dg,*g,*hdg,**hessin,*pnew,*xi; hessin = (double **)mCalloc(n,sizeof(double *)); For(i,n) hessin[i] = (double *)mCalloc(n,sizeof(double)); dg = (double *)mCalloc(n,sizeof(double )); g = (double *)mCalloc(n,sizeof(double )); pnew = (double *)mCalloc(n,sizeof(double )); hdg = (double *)mCalloc(n,sizeof(double )); xi = (double *)mCalloc(n,sizeof(double )); fp=(*func)(tree); (*dfunc)(tree,p,n,step_size,func,g); for (i=0;i %f\n",tree->tot_loglk); */ fp = fret; for (i=0;i test) test=temp; } if (test < TOLX) { (*func)(tree); For(i,n) Free(hessin[i]); free(hessin); free(xi); free(pnew); free(hdg); free(g); free(dg); if(its == 1) { printf("\n. WARNING : BFGS failed ! \n"); *failed = 1; } return; } for (i=0;i test) test=temp; } if (test < gtol) { (*func)(tree); For(i,n) Free(hessin[i]); free(hessin); free(xi); free(pnew); free(hdg); free(g); free(dg); return; } for (i=0;i EPS*sumdg*sumxi) { fac=1.0/fac; fad=1.0/fae; for (i=0;i stpmax) for(i=0;i test) test=temp; } alamin=TOLX/test; alam=1.0; for (;;) { for(i=0;imod->rr_param_values[i]=local_xold[i]+alam*p[i]; if(tree->mod->rr_param_values[i] < 0.0) break; } /**/ if(i==n) { *f=Return_Abs_Lk(tree); /* printf("loglk = %f\n",*f); */ } else *f=1.+fold+ALF*alam*slope; if (alam < alamin) { for (i=0;imod->rr_param_values[i]=local_xold[i]+alam*p[i]; if(tree->mod->rr_param_values[i] < 0.0) tree->mod->rr_param_values[i] = 0.0; } /**/ *check=1; For(i,n) xold[i] = local_xold[i]; Free(local_xold); return; } else if (*f <= fold+ALF*alam*slope) { For(i,n) xold[i] = local_xold[i]; Free(local_xold); return; } else { if (alam == 1.0) tmplam = -slope/(2.0*(*f-fold-slope)); else { rhs1 = *f-fold-alam*slope; rhs2=f2-fold2-alam2*slope; a=(rhs1/(alam*alam)-rhs2/(alam2*alam2))/(alam-alam2); b=(-alam2*rhs1/(alam*alam)+alam*rhs2/(alam2*alam2))/(alam-alam2); if (a == 0.0) tmplam = -slope/(2.0*b); else { disc=b*b-3.0*a*slope; if (disc<0.0) tmplam = 0.5*alam; else if(b <= 0.0) tmplam=(-b+sqrt(disc))/(3.0*a); else tmplam = -slope/(b+sqrt(disc)); } if (tmplam>0.5*alam) tmplam=0.5*alam; } } alam2=alam; f2 = *f; fold2=fold; alam=MAX(tmplam,0.1*alam); } Free(local_xold); } #undef ALF #undef TOLX #undef NRANSI /*********************************************************/ #define ALF 1.0e-4 #define TOLX 1.0e-7 void Lnsrch_Nucleotide_Frequencies(arbre *tree, int n, double *xold, double fold, double *g, double *p, double *x, double *f, double stpmax, int *check) { int i; double a,alam,alam2,alamin,b,disc,f2,fold2,rhs1,rhs2,slope,sum,temp,test,tmplam; double *local_xold; alam = alam2 = f2 = fold2 = tmplam = .0; local_xold = (double *)mCalloc(n,sizeof(double)); For(i,n) local_xold[i] = xold[i]; *check=0; for(sum=0.0,i=0;i stpmax) for(i=0;i test) test=temp; } alamin=TOLX/test; alam=1.0; for (;;) { for(i=0;imod->pi[i]=fabs(local_xold[i]+alam*p[i]); /* if( */ /* (tree->mod->pi[i] < 0.001) || */ /* (tree->mod->pi[i] > 0.999) */ /* ) */ /* break; */ } /**/ if(i==n) { *f=Return_Abs_Lk(tree); } else *f=1.+fold+ALF*alam*slope; if (alam < alamin) { for (i=0;imod->pi[i]=local_xold[i]; *check=1; For(i,n) xold[i] = local_xold[i]; Free(local_xold); return; } else if (*f <= fold+ALF*alam*slope) { For(i,n) xold[i] = local_xold[i]; Free(local_xold); return; } else { if (alam == 1.0) tmplam = -slope/(2.0*(*f-fold-slope)); else { rhs1 = *f-fold-alam*slope; rhs2=f2-fold2-alam2*slope; a=(rhs1/(alam*alam)-rhs2/(alam2*alam2))/(alam-alam2); b=(-alam2*rhs1/(alam*alam)+alam*rhs2/(alam2*alam2))/(alam-alam2); if (a == 0.0) tmplam = -slope/(2.0*b); else { disc=b*b-3.0*a*slope; if (disc<0.0) { disc=b*b-3.0*a*slope; if (disc<0.0) tmplam = 0.5*alam; else if(b <= 0.0) tmplam=(-b+sqrt(disc))/(3.0*a); else tmplam = -slope/(b+sqrt(disc)); } else tmplam=(-b+sqrt(disc))/(3.0*a); } if (tmplam>0.5*alam) tmplam=0.5*alam; } } alam2=alam; f2 = *f; fold2=fold; alam=MAX(tmplam,0.1*alam); } Free(local_xold); } /*********************************************************/ /* void Optimize_Global_Rate(arbre *tree) */ /* { */ /* printf("\n. Global rate (%f->)",tree->tot_loglk); */ /* Optimize_Single_Param_Generic(tree,&(tree->tbl),tree->tbl,BL_MIN,1.E+4,100); */ /* printf("%f)\n",tree->tot_loglk); */ /* } */ #undef ALF #undef TOLX #undef NRANSI ./arbsrc_9167/GDE/PHYML/optimiz.h0000644012664100000130000001207511213220011016257 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef OPTIMIZ_H #define OPTIMIZ_H void Optimiz_Ext_Br(arbre *tree); void Optimize_Alpha(arbre *tree); void Optimize_Kappa(arbre *tree); void Optimize_Lambda(arbre *tree); void Optimize_Param_Parall(arbre *tree); double Br_Len_NR(arbre *tree,allseq *alldata,edge *b_fcus, int n_passes); double Optimize_Branch_Quad(arbre *tree, allseq *alldata, edge *b_fcus); void Optimize_After_Hide(arbre *tree, allseq *alldata, node *h); void Round_Optimize(arbre *tree, allseq *data); void Print_Lk_Progress(arbre *tree, double lk_new, double lk_old, int n_iter); int Dist_Seq_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, allseq *data, int num1, int num2, model *mod); double Dist_Seq_Brent(double ax, double bx, double cx, double tol, double *xmin, allseq *data, int num1, int num2, model *mod); double Optimize_One_Dist(allseq *data, int numseq1, int numseq2, double init_dist, model *mod); double Kappa_Golden(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, allseq *alldata); double Lambda_Golden(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, allseq *alldata); double Alpha_Golden_Br_Opt(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, allseq *alldata, int n_opt, double *init_l); double Alpha_Golden(double ax, double bx, double cx, double tol,double *xmin, arbre *tree, allseq *alldata); double Br_Len_Golden(double ax, double bx, double cx, double tol, double *xmin, edge *b_fcus, arbre *tree); double Br_Len_Brent(double ax, double bx, double cx, double tol, double *xmin, edge *b_fcus, arbre *tree, int n_iter_max); int Br_Len_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, edge *b_fcus, arbre *tree); double Optimize_Path_Length(model *mod, allseq *alldata, edge *a, int lra, edge *b, int lrb, double i_len); void Optimize_Param_Serie(node *a, node *d, edge *b_fcus, arbre *tree, allseq *alldata, int n_passes); double Optimize_Dist(model *mod, double init, allseq *twoseqs); double Pinvar_Golden(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, allseq *alldata, int n_iter_max); void Optimize_Pinvar(arbre *tree); int Lambda_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, arbre *tree); int Kappa_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, arbre *tree); int Alpha_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, arbre *tree); int Pinvar_Brak(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, arbre *tree); void Optimiz_All_Free_Param(arbre *tree, int verbose); void Optimiz_RRparam_GTR(arbre *tree, int num_param); double RRparam_GTR_Golden(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, allseq *alldata, double *param, int n_iter_max); int Powell_GTR_Param(arbre *tree, double *p, int n, double ftol); double Linmin_GTR_Param(arbre *tree,double *p, double *xi, int n); double F1dim(arbre *tree, double x, double *p, double *xi, double n); int Mnbrak_1dim(double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, arbre *tree, double *p, double *xi, double n); double Brent_1dim(double ax, double bx, double cx, double tol, double *xmin, arbre *tree, double *p, double *xi, double n); int Min_With_Derivatives(arbre *tree, double *p, int n, double ftol, double step_size, double (*func) (), void (*dfunc)(), double (*linmin)()); void BFGS(arbre *tree, double *p, int n, double gtol, double step_size, double(*func)(), void (*dfunc)(), void (*lnsrch)(),int *failed); void Lnsrch_RR_Param(arbre *tree, int n, double *xold, double fold, double *g, double *p, double *x, double *f, double stpmax, int *check); void Optimize_Single_Param_Generic(arbre *tree, double *param, double start, double lim_inf, double lim_sup, int n_max_iter); int Generic_Brak(double *param, double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, double lim_inf, double lim_sup, arbre *tree); double Generic_Brent(double *param, double ax, double bx, double cx, double tol, double *xmin, arbre *tree, int n_iter_max); void Optimize_Br_Len_Serie(node *a, node *d, edge *b_fcus, arbre *tree,allseq *alldata, int n_passes); void Lnsrch_Nucleotide_Frequencies(arbre *tree, int n, double *xold, double fold, double *g, double *p, double *x, double *f, double stpmax, int *check); void Optimize_Global_Rate(arbre *tree); #endif ./arbsrc_9167/GDE/PHYML/options.c0000644012664100000130000011723111213220011016252 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "options.h" #include "models.h" #include "free.h" /* int T_MAX_FILE; */ /* double MDBL_MIN; */ /* double UNLIKELY; */ #define BOLD "\033[00;01m" #define FLAT "\033[00;00m" #define LINE "\033[00;04m" /*********************************************************/ void Usage() { printf(BOLD"NAME\n" FLAT"\tphyml\n" FLAT"\tA simple, fast, and accurate algorithm to estimate\n" FLAT"\tlarge phylogenies by maximum likelihood.\n\n" FLAT"\tStephane Guindon and Olivier Gascuel,\n" FLAT"\tSystematic Biology 52(5):696-704, 2003.\n" FLAT"\tPlease cite this paper if you use this software in your publications.\n"); printf(BOLD"\nCOMMAND-LINE USE\n" BOLD"\tphyml "FLAT"[ " LINE"sequences"FLAT" " LINE"data_type"FLAT" " LINE"format"FLAT" " LINE"data_sets"FLAT" " LINE"bootstrap_sets"FLAT" " LINE"model"FLAT" " LINE"\n\t\t[kappa]"FLAT" " LINE"invar"FLAT" " LINE"nb_categ"FLAT" " LINE"alpha"FLAT" " LINE"tree"FLAT" " LINE"opt_topology"FLAT" " LINE"opt_lengths"FLAT" " "]\n"); printf(FLAT"\n\tYou can use phyml with no arguments, in this case change the value of\n" FLAT"\ta parameter by typing its corresponding character as shown on screen.\n\n" FLAT"\tYou can alternatively use phyml with the following arguments :\n"); printf(LINE"\n\tsequence_file" FLAT"\tDNA or Amino-Acids sequence filename (PHYLIP format)\n" LINE"\n\tdata type" FLAT"\t"BOLD"0"FLAT" = DNA | "BOLD"1"FLAT" = Amino-Acids\n" LINE"\n\tformat" FLAT"\t\t"BOLD"i"FLAT" = interleaved sequence format | " BOLD"s"FLAT" = sequential\n" LINE"\n\tdata_sets" FLAT"\tnumber of data sets to analyse (ex:3)\n" LINE"\n\tbootstrap_sets" FLAT"\tnumber of bootstrap data sets to generate (ex:2)\n" FLAT"\t\t\tonly works with one data set to analyse\n" LINE"\n\tmodel" FLAT"\t\tsubstitution model name\n" BOLD"\t\t\tJC69 | K2P | F81 | HKY | F84 | TN93 | GTR "FLAT"(DNA)\n" BOLD"\t\t\tJTT | MtREV | Dayhoff | WAG "FLAT"(Amino-Acids)\n" LINE"\n\tkappa" FLAT"\t\ttransition/transversion ratio, only for DNA sequences,\n" FLAT"\t\t\ta fixed value (ex:4.0) | "BOLD"e"FLAT" to get the maximum likelihood estimate\n" LINE"\n\tinvar" FLAT"\t\tproportion of invariable sites,\n" FLAT"\t\t\ta fixed value (ex:0.0) | "BOLD"e"FLAT" to get the maximum likelihood estimate\n" LINE"\n\tnb_categ" FLAT"\tnumber of relative substitution rate categories (ex:4)\n" LINE"\n\talpha" FLAT"\t\tgamma distribution parameter,\n" FLAT"\t\t\ta fixed value (ex:1.0) | "BOLD"e"FLAT" to get the maximum likelihood estimate\n" LINE"\n\ttree" FLAT"\t\tstarting tree filename (Newick format),\n" FLAT"\t\t\tyour tree filename | "BOLD"BIONJ"FLAT" for a distance-based tree\n" LINE"\n\topt_topology" FLAT"\toptimise tree topology ? "BOLD"y | n\n" LINE"\n\topt_lengths" FLAT"\toptimise branch lengths and rate parameters ? "BOLD"y | n\n"); printf( FLAT"\n\tExamples\n" FLAT"\tDNA sequences : "BOLD" ./phyml seqs1 0 i 2 0 HKY 4.0 e 1 1.0 BIONJ y n \n" FLAT"\n\tAA sequences : "BOLD" ./phyml seqs2 1 i 1 5 JTT 0.0 4 1.0 BIONJ n n \n"FLAT); Exit(""); } /*********************************************************/ #define N_SEQUENCEFILE 1 #define N_DATATYPE 2 #define N_FORMAT 3 #define N_DATASETS 4 #define N_BOOTSTRAPSETS 5 #define N_MODELNAME 6 #define N_KAPPA 7 #define N_PROPORTIONINVAR 7 /*same as kappa*/ #define N_NBCATG 8 #define N_ALPHA 9 #define N_STARTINGTREE 10 #define N_OPT_TOPO 11 #define N_OPT_LENGTHSRATES 12 #define N_NB_PARAMS_DNA 13 #define N_NB_PARAMS_AA 12 option *Get_Input(int argc, char **argv) { option* input = (option *)mCalloc(1,sizeof(option)); putchar('\n'); input->fp_seq = NULL; input->fp_input_tree = NULL; input->mod = Make_Model_Basic(); input->seqfile = (char *)mCalloc(T_MAX_FILE,sizeof(char)); input->modelname = (char *)mCalloc(50,sizeof(char)); input->nt_or_cd = (char *)mCalloc(50,sizeof(char)); input->inputtreefile = (char *)mCalloc(T_MAX_FILE,sizeof(char)); input->phyml_tree_file = (char *)mCalloc(T_MAX_FILE,sizeof(char)); input->phyml_stat_file = (char *)mCalloc(T_MAX_FILE,sizeof(char)); input->phyml_lk_file = (char *)mCalloc(T_MAX_FILE,sizeof(char)); Set_Defaults_Input(input); Set_Defaults_Model(input->mod); Set_Defaults_Optimiz(input->mod->s_opt); Translate_Custom_Mod_String(input->mod); Init_Optimiz(input->mod->s_opt); switch (argc) { case 1: Get_Input_Interactive(input); break; case 2: Usage(); break; default: if (isdigit((int)argv[N_DATATYPE][0])) { if (atoi(argv[N_DATATYPE])==0 && argc-1==N_NB_PARAMS_DNA) Get_Input_CommandLine_DNA(input, argc, argv); else if (atoi(argv[N_DATATYPE])==1 && argc-1==N_NB_PARAMS_AA) Get_Input_CommandLine_AA(input, argc, argv); else Usage(); } else Usage(); } /*print the parameter values*/ printf("\n\n\n"); printf("Sequence filename : \t\t\t\t %s\n", input->seqfile); printf("Data type : \t\t\t %s\n", (input->mod->datatype ? "aa" : "dna")); printf("Sequence format : \t\t\t\t %s\n", input->interleaved ? "interleaved" : "sequential"); printf("Number of data sets : \t\t\t\t %d\n", input->n_data_sets); printf("Nb of bootstrapped data sets : \t\t\t %d\n", input->mod->bootstrap); printf("Model name : \t\t\t\t\t %s\n", input->modelname); if (input->mod->datatype == NT) { if (input->mod->s_opt->opt_kappa) printf("ts/tv ratio : \t\t\t\t\t estimated\n"); else { if ((input->mod->whichmodel == 2)|| (input->mod->whichmodel == 4)|| (input->mod->whichmodel == 5)|| (input->mod->whichmodel == 6)) printf("ts/tv ratio : \t\t\t\t\t %f\n", input->mod->kappa); } } if (input->mod->s_opt->opt_pinvar) printf("Proportion of invariable sites :\t\t estimated\n"); else printf("Proportion of invariable sites :\t\t %f\n", input->mod->pinvar); printf("Number of subst. rate categs : \t\t\t %d\n", input->mod->n_catg); if (input->mod->s_opt->opt_alpha) printf("Gamma distribution parameter : \t\t\t estimated\n"); else printf("Gamma distribution parameter : \t\t\t %f\n", input->mod->alpha); printf("Starting tree : \t\t\t\t %s\n", (!input->inputtree) ? "BIONJ" : input->inputtreefile); printf("Optimise tree topology : \t\t\t %s\n", (input->mod->s_opt->opt_topo) ? "yes" : "no"); printf("Optimise branch lengths and rate parameters : \t %s\n", (input->mod->s_opt->opt_free_param) ? "yes" : "no"); return input; } void Get_Input_CommandLine_Common(option *input, int argc, char **argv) { char* p; p = argv[N_SEQUENCEFILE]; #ifdef PHYML strcpy(input->seqfile, p); input->fp_seq = Openfile(input->seqfile,0); #endif input->phyml_stat_file_open_mode = 1; /* stands for the "R" (Replacement) interactive option */ input->phyml_tree_file_open_mode = 1; /* stands for the "R" (Replacement) interactive option */ #ifdef PHYML strcpy(input->phyml_stat_file,input->seqfile); strcat(input->phyml_stat_file,"_phyml_stat.txt"); strcpy(input->phyml_tree_file,input->seqfile); strcat(input->phyml_tree_file,"_phyml_tree.txt"); strcpy(input->phyml_lk_file,input->seqfile); strcat(input->phyml_lk_file,"_phyml_lk.txt"); #endif p = argv[N_FORMAT]; input->interleaved = (!strcmp(p,"i")) ? 1 : 0; p = argv[N_DATASETS]; if (!atoi(p) || (input->n_data_sets = atoi(p)) < 0) Exit("\nThe number of data sets should be a positive integer\n"); p = argv[N_BOOTSTRAPSETS]; if ((input->mod->bootstrap = atoi(p)) < 0) Exit("\nThe number of bootstrapped data sets should be a positive or null integer\n"); if(!input->mod->bootstrap) { input->print_boot_trees = 0; input->fp_boot_tree = NULL; input->fp_boot_stats = NULL; } else { char *r; r = (char *)mCalloc(T_MAX_LINE, sizeof(char)); strcpy(r,input->seqfile); input->print_boot_trees = 1; input->fp_boot_tree = Openfile(strcat(r,"_phyml_boot_trees.txt"),1); strcpy(r,input->seqfile); input->fp_boot_stats = Openfile(strcat(r,"_phyml_boot_stats.txt"),1); Free(r); } p = argv[N_PROPORTIONINVAR]; if (!strcmp(p,"e")) { input->mod->s_opt->opt_pinvar = 1; input->mod->pinvar = 0.2; input->mod->invar = 1; } else { if((atof(p) < 0.0) || (atof(p) > 1.0)) { Exit("\nErr : the proportion of invariable sites must be a positive number between 0.0 and 1.0\n"); } else { input->mod->s_opt->opt_pinvar = 0; input->mod->pinvar = (double)atof(p); input->mod->invar = (input->mod->pinvar > 0.0+MDBL_MIN) ? 1 : 0; } } p = argv[N_NBCATG]; if (!atoi(p) || (input->mod->n_catg = atoi(p)) < 0) Exit("\nThe number of categories should be a positive integer\n"); p = argv[N_ALPHA]; if (!strcmp(p,"e")) { input->mod->s_opt->opt_alpha = 1; } else { input->mod->s_opt->opt_alpha = 0; input->mod->alpha = 1.0; if(!atof(p) || (input->mod->alpha = (double)atof(p)) < .0) Exit("\nAlpha must be a positive number\n"); } p = argv[N_STARTINGTREE]; if (!strcmp(p,"BIONJ")) { input->inputtree = 0; } else { input->inputtree = 1; strcpy(input->inputtreefile, p); input->fp_input_tree = Openfile(input->inputtreefile,0); } p = argv[N_OPT_TOPO]; input->mod->s_opt->opt_topo = (!strcmp(p,"y")) ? 1 : 0; p = argv[N_OPT_LENGTHSRATES]; input->mod->s_opt->opt_free_param = (!strcmp(p,"y")) ? 1 : 0; } /*Attention phyml compilé avec les symboles de compilation EVOLVE et OPTIMIZ n'est utilisable qu'en mode interactif */ void Get_Input_CommandLine_DNA(option *input, int argc, char **argv) { char* p; /*convert into AA syntax to have a common code with the AA case*/ char** argvbis; int i; char kappa[30]; model *mod; mod = input->mod; argvbis = (char**)calloc(argc-1, sizeof(char*)); for (i=0; imod->datatype = 0; p = argvbis[N_MODELNAME]; strcpy(input->modelname, p); if (!strcmp(p,"JC69")) mod->whichmodel = 1; else if (!strcmp(p,"K2P")) mod->whichmodel = 2; else if (!strcmp(p,"F81")) mod->whichmodel = 3; else if (!strcmp(p,"HKY")) mod->whichmodel = 4; else if (!strcmp(p,"F84")) mod->whichmodel = 5; else if (!strcmp(p,"TN93")) mod->whichmodel = 6; else if (!strcmp(p,"GTR")) mod->whichmodel = 7; else Exit("\nUnknown model \n"); mod->ns = 4; p = kappa; if (!strcmp(p,"e")) { mod->s_opt->opt_kappa = 1; mod->kappa = 4.0; if(mod->whichmodel == 6) mod->s_opt->opt_lambda = 1; if((mod->whichmodel == 1) || (mod->whichmodel == 3) || (mod->whichmodel == 7) || (mod->whichmodel == 8)) mod->s_opt->opt_kappa = 0; } else { mod->s_opt->opt_kappa = 0; mod->s_opt->opt_lambda = 0; if(!atof(p) || (mod->kappa = (double)atof(p)) < .0) Exit("\nThe ts/tv ratio should be a positive number\n"); } if( (mod->whichmodel == 1) || (mod->whichmodel == 3) || (mod->whichmodel == 7) || (mod->whichmodel == 8)) { mod->s_opt->opt_kappa = 0; mod->s_opt->opt_lambda = 0; } if(mod->whichmodel != 6) mod->s_opt->opt_lambda = 0; for (i=0; imod->datatype = 1; p = argv[N_MODELNAME]; strcpy(input->modelname, p); if (!strcmp(p,"Dayhoff")) input->mod->whichmodel = 11; else if (!strcmp(p,"JTT")) input->mod->whichmodel = 12; else if (!strcmp(p,"MtREV")) input->mod->whichmodel = 13; else if (!strcmp(p,"WAG")) input->mod->whichmodel = 14; else if (!strcmp(p,"DCMut")) input->mod->whichmodel = 15; else if (!strcmp(p,"RtREV")) input->mod->whichmodel = 16; else if (!strcmp(p,"CpREV")) input->mod->whichmodel = 17; else if (!strcmp(p,"VT")) input->mod->whichmodel = 18; else if (!strcmp(p,"Blosum62"))input->mod->whichmodel = 19; else if (!strcmp(p,"MtMam")) input->mod->whichmodel = 20; else Exit("\nUnknown model name\n"); input->mod->ns = 20; if(input->mod->whichmodel != 6) input->mod->s_opt->opt_lambda = 0; } void Get_Input_Interactive(option *input) { char choix; char *s = (char *)mCalloc(T_MAX_LINE,sizeof(char)); char *buff = (char *)mCalloc(T_MAX_LINE,sizeof(char)); int n_trial; #ifdef EVOLVE char *n_data_sets; printf("Enter the tree file name > "); fflush(NULL); Getstring_Stdin(input->inputtreefile); input->fp_input_tree = Openfile(input->inputtreefile,0); printf("\n"); printf("Enter the reference sequence file name > "); fflush(NULL); Getstring_Stdin(input->seqfile); input->fp_seq = Openfile(input->seqfile,0); printf("\n"); printf("Number of data sets > "); n_data_sets = (char *)mCalloc(T_MAX_LINE,sizeof(char)); Getstring_Stdin(n_data_sets); n_trial = 0; while((!atoi(n_data_sets)) || (atoi(n_data_sets) < 0)) { if(++n_trial > 10) Exit("\nErr : the number of sets must be a positive integer\n"); printf("\nThe number of sets must be a positive integer\n"); printf("Enter a new value > "); Getstring_Stdin(n_data_sets); } input->n_data_set_asked = atoi(n_data_sets); Free(n_data_sets); #elif OPTIMIZ printf("Enter the tree file name > "); fflush(NULL); Getstring_Stdin(input->inputtreefile); input->fp_input_tree = Openfile(input->inputtreefile,0); printf("\n"); printf("Enter the reference sequence file name > "); fflush(NULL); Getstring_Stdin(input->seqfile); input->fp_seq = Openfile(input->seqfile,0); printf("\n"); #elif PHYML printf("Enter the sequence file name > "); fflush(NULL); Getstring_Stdin(input->seqfile); input->fp_seq = Openfile(input->seqfile,0); #endif #ifdef PHYML strcpy(input->phyml_stat_file,input->seqfile); strcat(input->phyml_stat_file,"_phyml_stat.txt"); strcpy(input->phyml_tree_file,input->seqfile); strcat(input->phyml_tree_file,"_phyml_tree.txt"); strcpy(input->phyml_lk_file,input->seqfile); strcat(input->phyml_lk_file,"_phyml_lk.txt"); #endif #ifdef WIN32 #ifdef EVOLVE if(Filexists("evolve_out.txt")); #elif OPTIMIZ if(Filexists("optimiz_out.txt")) #elif PHYML if(Filexists(input->phyml_stat_file)) #endif #elif UNIX #ifdef EVOLVE if(Filexists("evolve_out")); #elif OPTIMIZ if(Filexists("optimiz_out")) #elif PHYML if(Filexists(input->phyml_stat_file)) #endif #endif { printf("\n"); #ifdef EVOLVE printf("A file 'evolve_out' already exists\n"); #elif OPTIMIZ printf("A file 'optimiz_out' already exists\n"); #elif PHYML printf("A file '%s' already exists\n",input->phyml_stat_file); #endif printf("Do you want to Replace it or Append to it ?\n"); n_trial = 0; do { printf("Please type R or A > "); scanf("%c",&choix); if(choix == '\n') choix = 'r'; else getchar(); if(++n_trial>10) Exit("\n"); Uppercase(&choix); } while((choix != 'R') && (choix != 'A')); if(choix == 'R') input->phyml_stat_file_open_mode = 1; else input->phyml_stat_file_open_mode = 2; } #ifdef WIN32 #ifdef EVOLVE if(Filexists("evolve_seq.txt")) #elif OPTIMIZ if(Filexists("optimiz_tree.txt")) #elif PHYML if(Filexists(input->phyml_tree_file)) #endif #elif UNIX #ifdef EVOLVE if(Filexists("evolve_seq")) #elif OPTIMIZ if(Filexists("optimiz_tree")) #elif PHYML if(Filexists(input->phyml_tree_file)) #endif #endif { printf("\n"); #ifdef EVOLVE printf("A file 'evolve_seq' already exists\n"); #elif OPTIMIZ printf("A file 'optimiz_tree' already exists\n"); #elif PHYML printf("A file '%s' already exists\n",input->phyml_tree_file); #endif printf("Do you want to Replace it or Append to it ?\n"); n_trial = 0; do { printf("Please type R or A > "); scanf("%c",&choix); if(choix == '\n') choix = 'X'; else getchar(); Uppercase(&choix); if(++n_trial>10) Exit("\n"); } while((choix != 'R') && (choix != 'A')); if(choix == 'R') input->phyml_tree_file_open_mode = 1; else input->phyml_tree_file_open_mode = 2; } choix = 0; do { #ifdef WIN32 system("cls"); #elif UNIX printf("\033[2J\033[H"); #endif #ifdef EVOLVE printf("\n - EVOLVE - \n\n\n"); #elif OPTIMIZ printf("\n - OPTIMIZ - \n\n\n"); #elif PHYML printf("\n - PHYML %s - \n\n\n",VERSION); #endif printf("Settings for this run:\n\n"); printf(" D " " Data type (DNA/AA) " " %-15s \n", (input->mod->datatype)?("AA"):("DNA")); printf(" I " " Input sequences interleaved (or sequential) " " %-15s \n", (input->interleaved)?("interleaved"):("sequential")); strcpy(s,""); sprintf(s," (%d sets)",input->n_data_sets); strcpy(buff,(input->n_data_sets > 1)?("yes"):("no")); buff=strcat(buff,(input->n_data_sets > 1)?(s):("\0")); printf(" S " " Analyze multiple data sets " " %-15s \n",buff); strcpy(buff,(input->mod->bootstrap > 0)?("yes"):("no")); if(input->mod->bootstrap > 0) sprintf(buff+strlen(buff)," (%d replicate%s)", input->mod->bootstrap, (input->mod->bootstrap>1)?("s"):("")); printf(" B " " Non parametric bootstrap analysis " " %-15s \n",buff); if (input->mod->datatype == NT) { if(!strcmp(input->nt_or_cd,"nucleotides")) { printf(" M " " Model of nucleotide substitution " " %-15s \n", input->modelname); if((input->mod->whichmodel < 8) && (input->mod->whichmodel > 2)) printf(" E " " Base frequency estimates (empirical/ML) " " %-15s \n", (input->mod->s_opt->opt_bfreq)?("ML"):("empirical")); else if(input->mod->whichmodel == 8) { printf(" E " " Optimise equilibrium frequencies " " %-15s \n", (input->mod->s_opt->opt_bfreq)?("yes"):("no")); } if(input->mod->whichmodel == 8) { printf(" F " " Equilibrium frequencies " " %-15s \n", (input->mod->user_b_freq[0]<.0)?("empirical"):("user defined")); printf(" K " " Current custom model " " %-15s \n", input->mod->custom_mod_string); printf(" W " " Optimise relative rate parameters " " %-15s \n",(input->mod->s_opt->opt_rr_param)?("yes"):("no")); } } else printf(" M " " Model of codon substitution " " %-15s \n", input->modelname); } else { printf(" M " " Model of amino-acids substitution " " %-15s \n", input->modelname); } if ((input->mod->datatype == NT) && ((input->mod->whichmodel == 2)|| (input->mod->whichmodel == 4)|| (input->mod->whichmodel == 5)|| (input->mod->whichmodel == 6))) { strcpy(s,(input->mod->s_opt->opt_kappa)?("estimated"):("fixed")); (input->mod->s_opt->opt_kappa)?(strcat(s, "")):(strcat(s," (ts/tv = ")); (input->mod->s_opt->opt_kappa)?(strcat(s, "")):((char *)sprintf(s+(int)strlen(s),"%3.2f)",input->mod->kappa)); printf(" T " " Ts/tv ratio (fixed/estimated) " " %-15s \n",s); } (input->mod->s_opt->opt_pinvar)?(strcpy(s,"estimated")):(strcpy(s,"fixed")); (input->mod->s_opt->opt_pinvar)?(strcat(s,"")):(strcat(s," (p-invar = ")); (input->mod->s_opt->opt_pinvar)?(strcat(s,"")):((char *)sprintf(s+strlen(s),"%3.2f)",input->mod->pinvar)); printf(" V " " Proportion of invariable sites (fixed/estimated)" " %-15s \n",s); printf(" R " " One category of substitution rate (yes/no) " " %-15s \n", (input->mod->n_catg > 1)?("no"):("yes")); if(input->mod->n_catg > 1) { printf(" C " " Number of substitution rate categories " " %-15d \n", input->mod->n_catg); } if(input->mod->n_catg > 1) { strcpy(s,(input->mod->s_opt->opt_alpha)?("estimated"):("fixed")); (input->mod->s_opt->opt_alpha)?(strcat(s, "")):(strcat(s," (alpha = ")); (input->mod->s_opt->opt_alpha)?(strcat(s, "")):((char *)sprintf(s+strlen(s),"%3.2f)",input->mod->alpha)); printf(" A " " Gamma distribution parameter (fixed/estimated) " " %-15s \n",s); } #ifdef PHYML printf(" U " " Input tree (BIONJ/user tree) " " %-15s \n", (!input->inputtree)?("BIONJ"):("user tree")); printf(" O " " Optimise tree topology " " %-15s \n", (input->mod->s_opt->opt_topo)?("yes"):("no")); #endif #ifdef EVOLVE strcpy(s,""); (input->seq_len==-1)?((int)strcpy(s,"Reference data set length")):((int)sprintf(s,"l = %d",input->seq_len)); printf(" L " " Sequence length " " %-15s \n",s); #elif PHYML if(!input->mod->s_opt->opt_topo) { printf(" L " " Optimise branch lengths & rate parameters " " %-15s \n", (input->mod->s_opt->opt_free_param)?("yes"):("no")); } else { printf(" L " " Last optimisation step on numerical parameters " " %-15s \n", (input->mod->s_opt->last_opt)?("yes"):("no")); } #endif printf("\n"); printf("\nAre these settings correct? " "(type Y or letter for one to change) "); scanf("%c",&choix); if(choix == '\n') choix = 'X'; else getchar(); /* \n */ Uppercase(&choix); if ((choix == 'Y') || (choix == 'y')) break; switch(choix) { #ifdef PHYML case 'B' : { if(input->mod->bootstrap > 0) input->mod->bootstrap = 0; else { char *r; char answer; if(input->n_data_sets > 1) Exit("\n. Bootstrap option is not allowed with multiple data sets\n"); printf("Number of replicates > "); r = (char *)mCalloc(T_MAX_LINE,sizeof(char)); Getstring_Stdin(r); n_trial = 0; while((!atoi(r)) || (atoi(r) < 0)) { if(++n_trial > 10) Exit("\nErr : the number of replicates must be a positive integer\n"); printf("\nThe number of replicates must be a positive integer\n"); printf("Enter a new value > "); Getstring_Stdin(r); } input->mod->bootstrap = atoi(r); printf("Print bootstrap trees (and statistics) ? (%s) > ", (input->print_boot_trees)?("Y/n"):("y/N")); scanf("%c",&answer); if(answer == '\n') answer = (input->print_boot_trees)?('Y'):('N'); else getchar(); switch(answer) { case 'Y' : case 'y' : { input->print_boot_trees = 1; strcpy(r,input->seqfile); input->fp_boot_tree = Openfile(strcat(r,"_phyml_boot_trees.txt"),1); strcpy(r,input->seqfile); input->fp_boot_stats = Openfile(strcat(r,"_phyml_boot_stats.txt"),1); break; } case 'N' : case 'n' : { input->print_boot_trees = 0; input->fp_boot_tree = NULL; input->fp_boot_stats = NULL; break; } } Free(r); } break; } case 'U' : { if(!input->inputtree) { input->inputtree = 1; printf("Enter the name of the tree file > "); Getstring_Stdin(input->inputtreefile); input->fp_input_tree = Openfile(input->inputtreefile,0); } else input->inputtree = 0; break; } #endif case 'O' : { input->mod->s_opt->opt_topo = (input->mod->s_opt->opt_topo)?(0):(1); } case 'W' : { input->mod->s_opt->opt_rr_param = (input->mod->s_opt->opt_rr_param)?(0):(1); break; } case 'K' : { int i,j; char **rr_param,*rr; model *mod; int curr_param; if(input->mod->whichmodel == 8) { rr_param = (char **)mCalloc(5,sizeof(char *)); For(i,5) rr_param[i] = (char *)mCalloc(10,sizeof(char)); rr = (char *)mCalloc(T_MAX_LINE,sizeof(char)); mod = input->mod; n_trial = 0; do { printf("Enter a new custom model > "); Getstring_Stdin(input->mod->custom_mod_string); if(strlen(input->mod->custom_mod_string) == 6) { For(i,6) { while(!isdigit((int)input->mod->custom_mod_string[i])) { if(++n_trial > 10) Exit("\nErr : this string is not valid !\n"); printf("\nThis string is not valid\n"); printf("Enter a new model > "); Getstring_Stdin(input->mod->custom_mod_string); } } if(i == 6) break; } else { printf("\nThe string should be of length 6\n"); n_trial++; } }while(n_trial < 10); if(n_trial == 10) Exit(""); Translate_Custom_Mod_String(input->mod); strcpy(rr_param[0],"A<->C"); strcpy(rr_param[1],"A<->G"); strcpy(rr_param[2],"A<->T"); strcpy(rr_param[3],"C<->G"); strcpy(rr_param[4],"C<->T"); printf("\nSet the relative rate values (G<->T is fixed to 1.0) \n"); curr_param = 0; For(i,mod->n_diff_rr_param) { For(j,mod->n_rr_param_per_cat[i]) if(mod->rr_param_num[i][j] == 5) break; if(j == mod->n_rr_param_per_cat[i]) { printf("["); For(j,mod->n_rr_param_per_cat[i]) { printf("%s",rr_param[mod->rr_param_num[i][j]]); if(jn_rr_param_per_cat[i]-1) printf(" = "); } printf("]"); printf(" (current=%.2f) > ",mod->rr_param_values[i]); Getstring_Stdin(rr); if(rr[0] != '\0') { n_trial = 0; while((atof(rr) < .0)) { if(++n_trial > 10) Exit("\nErr : the value of this parameter must be a positive number\n"); printf("The value of this parameter must be a positive number\n"); printf("Enter a new value > "); Getstring_Stdin(rr); } input->mod->rr_param_values[curr_param] = (double)atof(rr); } For(j,mod->n_rr_param_per_cat[i]) mod->rr_param[mod->rr_param_num[i][j]] = mod->rr_param_values+curr_param; curr_param++; } else { For(j,mod->n_rr_param_per_cat[i]) mod->rr_param_values[mod->rr_param_num[i][j]] = 1.0; For(j,mod->n_rr_param_per_cat[i]) mod->rr_param[mod->rr_param_num[i][j]] = mod->rr_param_values+5; } } For(i,5) Free(rr_param[i]); Free(rr_param); Free(rr); } break; } case 'F' : { int i; if(input->mod->whichmodel == 8) { if(input->mod->user_b_freq[0] >= .0) For(i,4) input->mod->user_b_freq[i] = -1.; else { char **bases; char *bs; double sum; bases = (char **)mCalloc(4,sizeof(char *)); For(i,4) bases[i] = (char *)mCalloc(50,sizeof(char)); bs = (char *)mCalloc(T_MAX_LINE,sizeof(char)); strcpy(bases[0],"f(A) > "); strcpy(bases[1],"f(C) > "); strcpy(bases[2],"f(G) > "); strcpy(bases[3],"f(T) > "); printf("Set nucleotide frequencies \n"); sum = .0; For(i,4) { printf("%s",bases[i]); Getstring_Stdin(bs); n_trial = 0; while((atof(bs) < .0001) || (bs[0] == '\0')) { if(++n_trial > 10) Exit("\nErr : the value of this parameter must be a positive number\n"); printf("The value of this parameter must be a positive number\n"); printf("Enter a new value > "); Getstring_Stdin(bs); } input->mod->user_b_freq[i] = (double)atof(bs); sum += input->mod->user_b_freq[i]; } For(i,4) { input->mod->user_b_freq[i] /= sum; } For(i,4) Free(bases[i]); Free(bases); Free(bs); } } break; } case 'E' : { if((input->mod->whichmodel > 10) || (input->mod->whichmodel < 3)) Exit("\n. Invalid choice...\n"); input->mod->s_opt->opt_bfreq = (input->mod->s_opt->opt_bfreq)?(0):(1); break; } case 'D' : { if(input->mod->datatype == NT) { input->mod->datatype = 1; input->mod->stepsize = 1; input->mod->ns = 20; input->mod->whichmodel = 12; strcpy(input->modelname,"JTT"); } else { input->mod->ns = 4; input->mod->datatype = 0; input->mod->stepsize = 1; input->mod->whichmodel = 4; strcpy(input->modelname,"HKY"); strcpy(input->nt_or_cd,"nucleotides"); } break; } case 'M' : { if(input->mod->datatype == NT) { if(!strcmp(input->nt_or_cd,"nucleotides")) { if(input->mod->whichmodel == 1) { input->mod->whichmodel = 2; strcpy(input->modelname,"K2P"); } else if(input->mod->whichmodel == 2) { input->mod->whichmodel = 3; strcpy(input->modelname,"F81"); input->mod->s_opt->opt_kappa = 0; } else if(input->mod->whichmodel == 3) { input->mod->whichmodel = 4; strcpy(input->modelname,"HKY"); } else if(input->mod->whichmodel == 4) { input->mod->whichmodel = 5; strcpy(input->modelname,"F84"); } else if(input->mod->whichmodel == 5) { input->mod->whichmodel = 6; strcpy(input->modelname,"TN93"); if(input->mod->s_opt->opt_kappa) input->mod->s_opt->opt_lambda = 1; } else if(input->mod->whichmodel == 6) { input->mod->whichmodel = 7; strcpy(input->modelname,"GTR"); input->mod->s_opt->opt_kappa = 0; } else if(input->mod->whichmodel == 7) { input->mod->whichmodel = 8; strcpy(input->modelname,"custom"); input->mod->s_opt->opt_kappa = 0; } else if(input->mod->whichmodel == 8) { input->mod->whichmodel = 1; strcpy(input->modelname,"JC69"); input->mod->s_opt->opt_kappa = 0; } } } else { if(input->mod->whichmodel == 11) { input->mod->whichmodel = 12; strcpy(input->modelname,"JTT"); } else if(input->mod->whichmodel == 12) { input->mod->whichmodel = 13; strcpy(input->modelname,"MtREV"); } else if(input->mod->whichmodel == 13) { input->mod->whichmodel = 14; strcpy(input->modelname,"WAG"); } else if(input->mod->whichmodel == 14) { input->mod->whichmodel = 15; strcpy(input->modelname,"DCMut"); } else if(input->mod->whichmodel == 15) { input->mod->whichmodel = 16; strcpy(input->modelname,"RtREV"); } else if(input->mod->whichmodel == 16) { input->mod->whichmodel = 17; strcpy(input->modelname,"CpREV"); } else if(input->mod->whichmodel == 17) { input->mod->whichmodel = 18; strcpy(input->modelname,"VT"); } else if(input->mod->whichmodel == 18) { input->mod->whichmodel = 19; strcpy(input->modelname,"Blosum62"); } else if(input->mod->whichmodel == 19) { input->mod->whichmodel = 20; strcpy(input->modelname,"MtMam"); } else if(input->mod->whichmodel == 20) { input->mod->whichmodel = 11; strcpy(input->modelname,"Dayhoff"); } } break; } case 'R' : { (input->mod->n_catg == 1)?(input->mod->n_catg = 4):(input->mod->n_catg = 1); break; } case 'C' : { char *c; printf("Enter your number of categories > "); c = (char *)mCalloc(T_MAX_LINE,sizeof(char)); Getstring_Stdin(c); n_trial = 0; while((!atoi(c)) || (atoi(c) < 0)) { if(++n_trial > 10) Exit("\nErr : the number of categories must be a positive integer\n"); printf("\nThe number of categories must be a positive integer\n"); printf("Enter a new value > "); Getstring_Stdin(c); } input->mod->n_catg = atoi(c); Free(c); break; } case 'A' : { char answer; switch(input->mod->s_opt->opt_alpha) { case 0 : { printf("Optimise alpha ? [Y/n] "); scanf("%c",&answer); if(answer == '\n') answer = 'Y'; else getchar(); break; } case 1 : { printf("Optimise alpha ? [N/y] "); scanf("%c",&answer); if(answer == '\n') answer = 'N'; else getchar(); break; } default : Exit("\n"); } n_trial = 0; while((answer != 'Y') && (answer != 'y') && (answer != 'N') && (answer != 'n')) { if(++n_trial > 10) Exit("\nErr : wrong answers !"); printf("Optimise alpha ? [N/y] "); scanf("%c",&answer); if(answer == '\n') answer = 'N'; else getchar(); } switch(answer) { case 'Y' : case 'y' : { input->mod->s_opt->opt_alpha = 1; input->mod->s_opt->opt_free_param = 1; break; } case 'N' : case 'n' : { char *a; a = (char *)mCalloc(T_MAX_LINE,sizeof(char)); input->mod->alpha = 10.0; input->mod->s_opt->opt_alpha = 0; printf("Enter your value of alpha > "); Getstring_Stdin(a); n_trial = 0; while((!atof(a)) || (atof(a) < .0)) { if(++n_trial > 10) Exit("\nErr : alpha must be a positive number\n"); printf("Alpha must be a positive number\n"); printf("Enter a new value > "); Getstring_Stdin(a); } input->mod->alpha = (double)atof(a); Free(a); input->mod->s_opt->opt_alpha = 0; break; } } break; } case 'T' : { char answer; if((input->mod->datatype) || (input->mod->whichmodel == 1) || (input->mod->whichmodel == 3) || (input->mod->whichmodel == 7)) Exit("\n 'T' is not a valid choice for this model\n"); switch(input->mod->s_opt->opt_kappa) { case 0 : { printf("Optimise ts/tv ratio ? [Y/n] "); scanf("%c", &answer); if(answer == '\n') answer = 'Y'; else getchar(); break; } case 1 : { printf("Optimise ts/tv ratio ? [N/y] "); scanf("%c", &answer); if(answer == '\n') answer = 'N'; else getchar(); break; } default : Exit("\n"); } n_trial = 0; while((answer != 'Y') && (answer != 'y') && (answer != 'N') && (answer != 'n')) { if(++n_trial > 10) Exit("\nErr : wrong answers !"); printf("Optimise ts/tv ratio ? [N/y] "); scanf("%c", &answer); if(answer == '\n') answer = 'N'; else getchar(); } switch(answer) { case 'Y' : case 'y' : { input->mod->kappa = 4.0; input->mod->s_opt->opt_free_param = 1; input->mod->s_opt->opt_kappa = 1; input->mod->s_opt->opt_kappa = 1; if(input->mod->whichmodel == 6) input->mod->s_opt->opt_lambda = 1; break; } case 'N' : case 'n' : { char *t; t = (char *)mCalloc(T_MAX_LINE,sizeof(char)); input->mod->s_opt->opt_kappa = 0; printf("Enter your value of the ts/tv ratio > "); Getstring_Stdin(t); n_trial = 0; while((!atof(t)) || (atof(t) < .0)) { if(++n_trial > 10) Exit("\nErr : the ts/tv ratio must be a positive number\n"); printf("The ratio must be a positive number\n"); printf("Enter a new value > "); Getstring_Stdin(t); } input->mod->kappa = (double)atof(t); input->mod->s_opt->opt_kappa = 0; input->mod->s_opt->opt_lambda = 0; Free(t); break; } } break; } case 'I' : { if(input->interleaved) input->interleaved = 0; else input->interleaved = 1; break; } case 'S' : { char *c; printf("How many data sets > "); c = (char *)mCalloc(T_MAX_LINE,sizeof(char)); Getstring_Stdin(c); n_trial = 0; while((!atoi(c)) || (atoi(c) < 0)) { if(++n_trial > 10) Exit("\nErr : The number of data sets must be a positive integer\n"); printf("\nThe number of data sets must be a positive integer\n"); printf("Enter a new value > "); Getstring_Stdin(c); } input->n_data_sets = atoi(c); if((input->mod->bootstrap > 1) && (input->n_data_sets > 1)) Exit("\n. Bootstrap option is not allowed with multiple data sets\n"); Free(c); break; } case 'V' : { char answer; switch(input->mod->s_opt->opt_pinvar) { case 0 : { printf("Optimise p-invar ? [Y/n] "); scanf("%c", &answer); if(answer == '\n') answer = 'Y'; else getchar(); break; } case 1 : { printf("Optimise p-invar ? [N/y] "); scanf("%c", &answer); if(answer == '\n') answer = 'N'; else getchar(); break; } default : Exit("\n"); } n_trial = 0; while((answer != 'Y') && (answer != 'y') && (answer != 'N') && (answer != 'n')) { if(++n_trial > 10) Exit("\nErr : wrong answers !"); printf("Optimise p-invar ? [N/y] "); scanf("%c", &answer); if(answer == '\n') answer = 'N'; else getchar(); } switch(answer) { case 'Y' : case 'y' : { input->mod->s_opt->opt_free_param = 1; input->mod->s_opt->opt_pinvar = 1; input->mod->pinvar = 0.2; input->mod->invar = 1; break; } case 'N' : case 'n' : { char *p; p = (char *)mCalloc(T_MAX_LINE,sizeof(char)); printf("Enter your value of p-invar > "); Getstring_Stdin(p); n_trial = 0; while((atof(p) < 0.0) || (atof(p) > 1.0)) { if(++n_trial > 10) Exit("\nErr : the proportion of invariable sites must be a positive number between 0.0 and 1.0\n"); printf("The proportion must be a positive number between 0.0 and 1.0\n"); printf("Enter a new value > "); Getstring_Stdin(p); } input->mod->pinvar = (double)atof(p); if(input->mod->pinvar > 0.0+MDBL_MIN) input->mod->invar = 1; else input->mod->invar = 0; Free(p); input->mod->s_opt->opt_pinvar = 0; break; } } break; } #ifdef EVOLVE case 'L' : { char *len; len = (char *)mCalloc(T_MAX_LINE,sizeof(char)); printf("Enter the sequence length > "); Getstring_Stdin(len); n_trial = 0; while((!atof(len)) || (atof(len) < 0.0-MDBL_MIN)) { if(++n_trial > 10) Exit("\nErr : sequence length must be a positive integer \n"); printf("Sequence length must be a positive integer \n"); printf("Enter a new value > "); Getstring_Stdin(len); } input->seq_len = (double)atoi(len); Free(len); break; } #elif PHYML case 'L' : { if(!input->mod->s_opt->opt_topo) { input->mod->s_opt->opt_free_param = (input->mod->s_opt->opt_free_param)?(0):(1); if(!input->mod->s_opt->opt_free_param) { input->mod->s_opt->opt_alpha = 0; input->mod->s_opt->opt_kappa = 0; input->mod->s_opt->opt_lambda = 0; input->mod->s_opt->opt_bl = 0; input->mod->s_opt->opt_pinvar = 0; input->mod->s_opt->opt_rr_param = 0; input->mod->s_opt->opt_topo = 0; } } else { input->mod->s_opt->last_opt = (input->mod->s_opt->last_opt)?(0):(1); } break; } #endif default : { printf("Not a valid choice\n"); break; } } }while(1); if((input->mod->whichmodel == 1) || (input->mod->whichmodel == 3)) { input->mod->s_opt->opt_kappa = 0; input->mod->s_opt->opt_lambda = 0; } if(input->mod->whichmodel != 6) input->mod->s_opt->opt_lambda = 0; Free(s); Free(buff); } /*********************************************************/ ./arbsrc_9167/GDE/PHYML/options.h0000644012664100000130000000121511213220011016251 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef OPTIONS_H #define OPTIONS_H void Usage(); option *Get_Input(int argc, char **argv); void Init_Optimiz(optimiz *s_opt); void Get_Input_Interactive(option *input); void Get_Input_CommandLine_DNA(option *input, int argc, char **argv); void Get_Input_CommandLine_AA(option *input, int argc, char **argv); void Set_Defaults(option* input); #endif ./arbsrc_9167/GDE/PHYML/simu.c0000644012664100000130000002661611213220011015542 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "lk.h" #include "optimiz.h" #include "models.h" #include "free.h" #include "simu.h" /* int BRENT_ITMAX; */ /* double BRENT_CGOLD; */ /* double BRENT_ZEPS; */ /* double MNBRAK_GOLD; */ /* double MNBRAK_GLIMIT; */ /* double MNBRAK_TINY; */ /* double ALPHA_MIN; */ /* double ALPHA_MAX; */ /* double BL_MIN; */ /* double BL_START; */ /* double BL_MAX; */ /* double MIN_DIFF_LK; */ /* double GOLDEN_R; */ /* double GOLDEN_C; */ /* int T_MAX_FILE; */ /* int T_MAX_LINE; */ /* int T_MAX_NAME; */ /* int T_MAX_SEQ; */ /* int N_MAX_INSERT; */ /* int N_MAX_OTU; */ /* double UNLIKELY; */ /* double NJ_SEUIL; */ /* int MAX_TOPO_DIST; */ /* double DIST_MAX; */ /* int LIM_SCALE; */ /* double AROUND_LK; */ /* double PROP_STEP; */ /*********************************************************/ void Simu(arbre *tree, int n_step_max) { double old_loglk,n_iter,lambda,diff_lk; int i,n_neg,n_tested,n_without_swap,step,it_lim_without_swap; edge **sorted_b,**tested_b; int each,each_invar; int opt_free_param; sorted_b = (edge **)mCalloc(tree->n_otu-3,sizeof(edge *)); tested_b = (edge **)mCalloc(tree->n_otu-3,sizeof(edge *)); old_loglk = tree->tot_loglk = UNLIKELY; n_iter = 1.0; it_lim_without_swap = (tree->mod->invar)?(8):(5); n_tested = 0; n_without_swap = 0; step = 0; each = 4; lambda = 0.75; each_invar = 2; old_loglk = tree->tot_loglk; opt_free_param = 0; do { ++step; if(step > n_step_max) break; each--; each_invar--; tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; Lk(tree,tree->data); if(tree->mod->s_opt->print) { if(old_loglk < UNLIKELY+1) printf("\n. Log(lk) : * -> %15.6f ",tree->tot_loglk); else printf("\n. Log(lk) : %15.6f -> %15.6f ",old_loglk,tree->tot_loglk); if(old_loglk > UNLIKELY+1) { if(n_tested > 1) printf("%3d swaps done ",n_tested); else printf("%3d swap done", n_tested); } } fflush(NULL); if((fabs(old_loglk-tree->tot_loglk) < 1.E-03) || (n_without_swap > it_lim_without_swap)) break; diff_lk = old_loglk-tree->tot_loglk; if(tree->tot_loglk < old_loglk) { if(tree->mod->s_opt->print) printf("\n\n. Moving backward (topology + branch lengths) \n"); fflush(NULL); if(!Mov_Backward_Topo_Bl(tree,old_loglk,tested_b,n_tested)) Exit("\n. Err: mov_back failed\n"); if(!tree->n_swap) n_neg = 0; For(i,2*tree->n_otu-3) tree->t_edges[i]->l_old = tree->t_edges[i]->l; Optimiz_All_Free_Param(tree,tree->mod->s_opt->print); } else { if(!each) { opt_free_param = 1; each = 4; if(tree->mod->s_opt->print) printf("\n"); Optimiz_All_Free_Param(tree,tree->mod->s_opt->print); tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; Lk(tree,tree->data); } old_loglk = tree->tot_loglk; Fix_All(tree); n_neg = 0; For(i,2*tree->n_otu-3) if((!tree->t_edges[i]->left->tax) && (!tree->t_edges[i]->rght->tax)) NNI(tree,tree->t_edges[i],0); Select_Edges_To_Swap(tree,sorted_b,&n_neg); Sort_Edges_Diff_Lk(tree,sorted_b,n_neg); Optimiz_Ext_Br(tree); Update_Bl(tree,lambda); n_tested = 0; For(i,(int)ceil((double)n_neg*(lambda))) tested_b[n_tested++] = sorted_b[i]; Make_N_Swap(tree,tested_b,0,n_tested); if(n_tested > 0) n_without_swap = 0; else n_without_swap++; fflush(NULL); } n_iter+=1.0; } while(1); Free(sorted_b); Free(tested_b); if((n_without_swap > it_lim_without_swap) || (tree->mod->s_opt->last_opt)) { if(tree->mod->s_opt->print) printf("\n\n. Last optimization step...\n"); fflush(NULL); Round_Optimize(tree,tree->data); } } /*********************************************************/ void Select_Edges_To_Swap(arbre *tree, edge **sorted_b, int *n_neg) { int i; edge *b; int min; *n_neg = 0; tree->min_diff_lk = .0; min = 0; For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; if((!b->left->tax) && (!b->rght->tax) && (b->diff_lk < 0.0-MDBL_MIN)) { if((b->left->b[b->l_v1]->diff_lk < b->diff_lk) || (b->left->b[b->l_v2]->diff_lk < b->diff_lk) || (b->rght->b[b->r_v1]->diff_lk < b->diff_lk) || (b->rght->b[b->r_v2]->diff_lk < b->diff_lk)) continue; if(b->diff_lk < tree->min_diff_lk) { tree->min_diff_lk = b->diff_lk; min = i; } sorted_b[*n_neg] = b; (*n_neg)++; } } } /*********************************************************/ void Fix_All(arbre *tree) { int i; edge *b; tree->mod->pinvar_old = tree->mod->pinvar; tree->mod->alpha_old = tree->mod->alpha; tree->mod->kappa_old = tree->mod->kappa; tree->mod->lambda_old = tree->mod->lambda; For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; b->l_old = b->l; } } /*********************************************************/ void Update_Bl(arbre *tree, double fact) { int i; edge *b; For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; b->l = b->l_old + (b->ql[0]-b->l_old)*fact; } } /*********************************************************/ void Make_N_Swap(arbre *tree,edge **b, int beg, int end) { int i; tree->n_swap = 0; for(i=beg;i%10f\n",b[i]->num,b[i]->diff_lk); */ /* if(drand48()>0.75) */ /* { */ (b[i]->best_conf == 2)? (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v1],tree)): (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v2],tree)); b[i]->l = b[i]->ql[b[i]->best_conf-1]; tree->n_swap++; /* } */ } } /*********************************************************/ int Make_Best_Swap(arbre *tree) { int i,j,return_value; edge *b,**sorted_b; sorted_b = (edge **)mCalloc(tree->n_otu-3,sizeof(edge *)); j=0; For(i,2*tree->n_otu-3) if((!tree->t_edges[i]->left->tax) && (!tree->t_edges[i]->rght->tax)) sorted_b[j++] = tree->t_edges[i]; Sort_Edges_Diff_Lk(tree,sorted_b,tree->n_otu-3); if(sorted_b[0]->diff_lk < -0.0) { b = sorted_b[0]; return_value = 1; (b->best_conf == 2)? (Swap(b->left->v[b->l_v2],b->left,b->rght,b->rght->v[b->r_v1],tree)): (Swap(b->left->v[b->l_v2],b->left,b->rght,b->rght->v[b->r_v2],tree)); b->l = b->ql[b->best_conf-1]; } else return_value = 0; Free(sorted_b); return return_value; } /*********************************************************/ int Mov_Backward_Topo_Bl(arbre *tree, double lk_old, edge **tested_b, int n_tested) { double *l_init; int i,step,n_swp,beg,end; edge *b,**swp; l_init = (double *)mCalloc(2*tree->n_otu-3,sizeof(double)); swp = (edge **)mCalloc(tree->n_otu-3,sizeof(edge *)); For(i,2*tree->n_otu-3) l_init[i] = tree->t_edges[i]->l; step = 2; tree->both_sides = 0; do { n_swp = 0; For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; b->l = b->l_old + (1./step) * (l_init[i] - b->l_old); } beg = (int)floor((double)n_tested/(step-1)); end = 0; Unswap_N_Branch(tree,tested_b,beg,end); beg = 0; end = (int)floor((double)n_tested/step); Swap_N_Branch(tree,tested_b,beg,end); if(end == n_swp) tree->n_swap = 0; tree->mod->s_opt->opt_bl = 0; tree->both_sides = 0; Lk(tree,tree->data); step++; }while((tree->tot_loglk < lk_old) && (step < 100)); if(step == 100) { For(i,2*tree->n_otu-3) { b = tree->t_edges[i]; b->l = b->l_old; } tree->mod->s_opt->opt_bl = 0; tree->both_sides = 0; Lk(tree,tree->data); } Free(l_init); Free(swp); tree->n_swap = 0; For(i,2*tree->n_otu-3) { if(tree->t_edges[i]->diff_lk < 0.0) tree->n_swap++; tree->t_edges[i]->diff_lk = +1.0; } if(tree->tot_loglk > lk_old) return 1; else if((tree->tot_loglk > lk_old-MIN_DIFF_LK) && (tree->tot_loglk < lk_old+MIN_DIFF_LK)) return -1; else return 0; } /*********************************************************/ void Unswap_N_Branch(arbre *tree, edge **b, int beg, int end) { int i; if(end>beg) { for(i=beg;ibest_conf == 2)? (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v1],tree)): (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v2],tree)); b[i]->l = b[i]->l_old; } } else { for(i=beg-1;i>=end;i--) { (b[i]->best_conf == 2)? (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v1],tree)): (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v2],tree)); b[i]->l = b[i]->l_old; } } } /*********************************************************/ void Swap_N_Branch(arbre *tree,edge **b, int beg, int end) { int i; if(end>beg) { for(i=beg;ibest_conf == 2)? (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v1],tree)): (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v2],tree)); b[i]->l = b[i]->ql[b[i]->best_conf-1]; } } else { for(i=beg-1;i>=end;i--) { (b[i]->best_conf == 2)? (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v1],tree)): (Swap(b[i]->left->v[b[i]->l_v2],b[i]->left,b[i]->rght,b[i]->rght->v[b[i]->r_v2],tree)); b[i]->l = b[i]->ql[b[i]->best_conf-1]; } } } /*********************************************************/ ./arbsrc_9167/GDE/PHYML/simu.h0000644012664100000130000000144311213220011015536 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef CURR_H #define CURR_H void Simu(arbre *tree,int n_step_max); void Select_Edges_To_Swap(arbre *tree,edge **sorted_b,int *n_neg); void Fix_All(arbre *tree); void Update_Bl(arbre *tree,double fact); void Make_N_Swap(arbre *tree,edge **b,int beg,int end); int Make_Best_Swap(arbre *tree); int Mov_Backward_Topo_Bl(arbre *tree,double lk_old,edge **tested_b,int n_tested); void Unswap_N_Branch(arbre *tree,edge **b,int beg,int end); void Swap_N_Branch(arbre *tree,edge **b,int beg,int end); #endif ./arbsrc_9167/GDE/PHYML/usersguide_phyliplike.html0000644012664100000130000005442011213220011021712 0ustar arb_buildcoders
PHYML User's guide (PHYLIP-like interface)

Overview

PHYML is a software implementing a new method for building phylogenies from DNA and protein sequences using maximum likelihood. Data sets can be analysed under several models of evolution (JC69, K80, F81, F84, HKY85, TN93 and GTR for nucleotides and Dayhoff, JTT, mtREV, WAG, DCMut, RtREV, CpREV, VT, Blosum62 and MtMam for amino acids). A discrete-gamma model (Yang, 1994) is implemented to accommodate rate variation among sites. Invariable sites can also be taken into account. PHYML has been compared to several other softwares using extensive simulations. The results indicate that its topological accuracy is at least as high as that of fastDNAml, while being much faster.

The PHYLIP-like interface

Download the binary files ; you can execute PHYML by double-clicking on the "phyml" file or by opening a shell window and typing "phyml" without parameters. The interactive command-line interface is PHYLIP-like. You can change the default value of an option by typing its corresponding character and validate your settings by typing 'Y'.

PHYML produces several results files :
  • <sequence file name>_phyml_lk.txt : likelihood value(s)
  • <sequence file name>_phyml_tree.txt : inferred tree(s)
  • <sequence file name>_phyml_stat.txt : detailed execution stats
  • <sequence file name>_phyml_boot_trees.txt : bootstrap trees (special case)
  • <sequence file name>_phyml_boot_stats.txt : bootstrap statistics (special case)

    Here are the possible uses of PHYML :

  • One data set, one starting tree
    Standard analysis under a given substitution model, PHYML then returns the inferred tree. Moreover, a special option allows to perform non-parametric bootstrapp analysis on the original data set. PHYML then returns the bootstrap tree with branch lengths and bootstrap values, using standard NEWICK format (an option gives the pseudo trees in a *_boot_trees.txt file).

  • Several data sets, one starting tree
    Several standard analysis start from the same intial tree with different data sets, without the bootstrap option.
    The results are given in the order of the data sets.
    This can be used to process multiple genes in a supertree approach.

  • One data set, several starting trees
    Several standard analysis of the same data set using different starting tree situations, without the bootstrap option.
    All results are given in the order of the trees. Moreover, the most likely tree is provided in the *_best_stat.txt and *_best_tree.txt files.
    This should be used to avoid being trapped into local optima and then obtain better trees. Fast parsimony methods can be used to obtain a set of starting trees.

  • Several data sets, several starting trees
    Several standard runs, where each data set is analysed with the corresponding starting tree, without the bootstrap option.
    The results are given in the order of the data sets.
    This can be used when comparing the likelihood of various trees regarding different data sets.
  • Options

  • Sequences The input sequence file is a standard PHYLIP file of aligned DNA or amino-acids sequences. It should look like this in interleaved format :
    5 60
    Tax1        CCATCTCACGGTCGGTACGATACACCTGCTTTTGGCAG
    Tax2        CCATCTCACGGTCAGTAAGATACACCTGCTTTTGGCGG
    Tax3        CCATCTCCCGCTCAGTAAGATACCCCTGCTGTTGGCGG
    Tax4        TCATCTCATGGTCAATAAGATACTCCTGCTTTTGGCGG
    Tax5        CCATCTCACGGTCGGTAAGATACACCTGCTTTTGGCGG
    
    GAAATGGTCAATATTACAAGGT
    GAAATGGTCAACATTAAAAGAT
    GAAATCGTCAATATTAAAAGGT
    GAAATGGTCAATCTTAAAAGGT
    GAAATGGTCAATATTAAAAGGT
    
    The same data set in sequential format:
    5 60
    Tax1        CCATCTCACGGTCGGTACGATACACCTGCTTTTGGCAGGAAATGGTCAATATTACAAGGT
    Tax2        CCATCTCACGGTCAGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAACATTAAAAGAT
    Tax3        CCATCTCCCGCTCAGTAAGATACCCCTGCTGTTGGCGGGAAATCGTCAATATTAAAAGGT
    Tax4        TCATCTCATGGTCAATAAGATACTCCTGCTTTTGGCGGGAAATGGTCAATCTTAAAAGGT
    Tax5        CCATCTCACGGTCGGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAATATTAAAAGGT
    

    On the first line is the number of taxa, a space, then the number of characters for each taxon.

    The maximum number of characters in species name MUST not exceed 50. Blanks within the species name are NOT allowed. However, blanks (one or more) MUST appear at the end of each species name.

    In a sequence, three special characters '.', '-', and '?' may be used: a dot '.' means the same character as in the first sequence, a dash '-' means an alignment gap and a question mark '?' means an undetermined nucleotide. Sites at which one or more sequences involve '-' are NOT excluded from the analysis. Therefore, gaps are treated as unknown character (like '?') on the grounds that ''we don't know what would be there if something were there'' (J. Felsenstein, PHYLIP documentation). Finally, standard ambiguity characters for nucleotides are accepted (Table 1).

    Table 1 - Nucleotide character coding
    Character Nucleotide
    A Adenosine
    G Guanine
    C Cytosine
    T Thymine
    U Uracil
    M A or C
    R A or G
    W A or T
    S C or G
    Y C or T
    K G or T
    B C or G or T
    D A or G or T
    H A or C or T
    V A or C or G
    N or X or ? unknown
    Table 2 - Amino-acid character coding
    Character Amino-acid
    A Alanine
    R Arginine
    N or B Asparagine
    D Aspartic acid
    C Cysteine
    Q or Z Glutamine
    E Glutamic acid
    G Glycine
    H Histidine
    I Isoleucine
    L Leucine
    K Lysine
    M Methionine
    F Phenylalanine
    P Proline
    S Serine
    T Threonine
    W Tryptophan
    Y Tyrosine
    V Valine
    X or ? unknown


  • Data type
    This indicates if the sequence file contains DNA or amino-acids. The default choice is to analyse DNA sequences.

  • Sequence format
    The input sequences can be either in interleaved (default) or sequential format, see "Sequences" above.

  • Number of data sets
    Multiple data sets are allowed, e.g. to perform bootstrap analysis using SEQBOOT (from the PHYLIP package). In this case, the data sets are given one after the other, in the formats above explained. For example (with three data sets):
    5 60
    Tax1        CCATCTCACGGTCGGTACGATACACCTGCTTTTGGCAGGAAATGGTCAATATTACAAGGT
    Tax2        CCATCTCACGGTCAGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAACATTAAAAGAT
    Tax3        CCATCTCCCGCTCAGTAAGATACCCCTGCTGTTGGCGGGAAATCGTCAATATTAAAAGGT
    Tax4        TCATCTCATGGTCAATAAGATACTCCTGCTTTTGGCGGGAAATGGTCAATCTTAAAAGGT
    Tax5        CCATCTCACGGTCGGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAATATTAAAAGGT
    
    5 60
    Tax1        CCATCTCACGGTCGGTACGATACACCTGCTTTTGGCAGGAAATGGTCAATATTACAAGGT
    Tax2        CCATCTCACGGTCAGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAACATTAAAAGAT
    Tax3        CCATCTCCCGCTCAGTAAGATACCCCTGCTGTTGGCGGGAAATCGTCAATATTAAAAGGT
    Tax4        TCATCTCATGGTCAATAAGATACTCCTGCTTTTGGCGGGAAATGGTCAATCTTAAAAGGT
    Tax5        CCATCTCACGGTCGGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAATATTAAAAGGT
    
    5 60
    Tax1        CCATCTCACGGTCGGTACGATACACCTGCTTTTGGCAGGAAATGGTCAATATTACAAGGT
    Tax2        CCATCTCACGGTCAGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAACATTAAAAGAT
    Tax3        CCATCTCCCGCTCAGTAAGATACCCCTGCTGTTGGCGGGAAATCGTCAATATTAAAAGGT
    Tax4        TCATCTCATGGTCAATAAGATACTCCTGCTTTTGGCGGGAAATGGTCAATCTTAAAAGGT
    Tax5        CCATCTCACGGTCGGTAAGATACACCTGCTTTTGGCGGGAAATGGTCAATATTAAAAGGT
    


  • Perform bootstrap and Number of pseudo data sets
    When there is only one data set you can ask PHYML to generate bootstrapped pseudo data sets from this original data set. PHYML then returns the bootstrap tree with branch lengths and bootstrap values, using standard NEWICK format. The "Print pseudo trees" option gives the pseudo trees in a *_boot_trees.txt file.

  • Substitution model
    A nucleotide or amino-acid substitution model. For DNA sequences, the default choice is HKY85 (Hasegawa et al., 1985). This model is analogous to K80 (Kimura, 1980), but allows for different base frequencies. The other models are JC69 (Jukes and Cantor, 1969), K80 (Kimura, 1980), F81 (Felsenstein, 1981), F84 (Felsenstein, 1989), TN93 (Tamura and Nei, 1993) and GTR (e.g., Lanave et al. 1984, Tavaré 1986, Rodriguez et al. 1990). The rate matrices of these models are given in Swofford et al. (1996).
    It is also possible to specify a custom substitution model, considering that six substitution rate parameters and four equilibrium frequencies define time-reversible DNA substitution models. The substitution rates are defined by a string of six digits :
    digit 1digit 2digit 3digit 4digit 5digit 6
    A<->CA<->GA<->TC<->GC<->TG<->T

    000000 defines a model where the six relative rate parameters are equal : this corresponds to the JC69 model if the equilibrium frequencies are equal (0.25), or the F81 model if they are different.
    010010 corresponds to a model where the A<->G and C<->T rates are optimised independently of the other parameters : this is the K80 model if base frequencies are equal (0.25), or the HKY85 model if they are different. 010020 is the TN93 model. 012345 is the GTR model. This notation is very concise and allows to define a wide range of models in a comprehensive framework. For amino-acid sequences, the default choice is JTT (Jones, Taylor and Thornton, 1992). The other models are Dayhoff (Dayhoff et al., 1978), mtREV (as implemented in Yang's PAML), WAG (Whelan and Goldman, 2001) and DCMut (Kosiol and Goldman, 2005), RtREV (Dimmic et al.), CpREV (Adachi et al., 2000) VT (Muller and Vingron, 2000), Blosum62 (Henikoff anf Henikoff, 1992) and MtMam (Cao, 1998).

  • Base frequency estimates
    Under most of the nucleotide based models (except JC69 and K2P), base frequencies can be estimated from the data (empirical) or adjusted so as to maximise the likelihood (ML). The later makes the program slower. Comparing the results obtained under the two options might be useful when analysing sequences that correspond to concatenations of several genes with different nucleotide compositions.

  • Transition / transversion ratio
    With DNA sequences, it is possible to set the transition/transversion ratio, except for the JC69 and F81 models, or to estimate its value by maximising the likelihood of the phylogeny. The later makes the program slower. The default value is 4.0. The definition of the transition/transversion ratio is the same as in PAML (Yang, 1994). In PHYLIP, the ''transition/transversion rate ratio'' is used instead. 4.0 in PHYML roughly corresponds to 2.0 in PHYLIP.

  • Proportion of invariable sites
    The default is to consider that the data set does not contain invariable sites (0.0). However, this proportion can be set to any value in the 0.0-1.0 range. This parameter can also be estimated by maximising the likelihood of the phylogeny. The later makes the program slower.

  • Number of substitution rate categories
    The default is having all the sites evolving at the same rate, hence having one substitution rate category. A discrete-gamma distribution can be used to account for variable substitution rates among sites, in which case the number of categories that defines this distribution is supplied by the user. The higher this number, the better is the goodness-of-fit regarding the continuous distribution. The default is to use four categories, in this case the likelihood of the phylogeny at one site is averaged over four conditional likelihoods corresponding to four rates and the computation of the likelihood is four times slower than with a unique rate. Number of categories less than four or higher than eight are not recommended. In the first case, the discrete distribution is a poor approximation of the continuous one. In the second case, the computational burden becomes high and an higher number of categories is not likely to enhance the accuracy of phylogeny estimation.

  • Gamma distribution parameter
    The shape of a gamma distribution is defined by this numerical parameter. The higher its value, the lower the variation of substitution rates among sites (this option is used when having more than 1 substitution rate category). The default value is 1.0. It corresponds to a moderate variation. Values less than say 0.7 correspond to high variations. Values between 0.7 and 1.5 corresponds to moderate variations. Higher values correspond to low variations. This value can be fixed by the user. It can also be estimated by maximising the likelihood of the phylogeny.

  • Starting tree(s)
    Used as the starting tree(s) to be refined by the maximum likelihood algorithm. The default is to use a BIONJ distance-based tree. It is also possible to supply one or several trees in NEWICK format, one per line in the file, which must be written in the standard parenthesis representation (NEWICK format) ; the branch lengths must be given, and the tree(s) must be unrooted. Labels on branches (such as bootstrap proportions) are supported. Therefore, a tree with four taxa named A, B, C, and D with a bootstrap value equal to 90 on its internal branch, should look like this:
    (A:0.02,B:0.004,(C:0.1,D:0.04)90:0.05);
    If you give several trees and analyse several data sets the two numbers must match.

  • Optimise starting tree(s) options
    You can optimise the starting tree(s) in three ways : - You can optimise the topology, the branch lengths and rate parameters (transition/transversion ratio, proportion of invariant sites, gamma distribution parameter), - You can keep the topology and optimise the branch lengths and rate parameters (it is not possible to optimise the tree topology and keep the branch lengths), - You can ask for no optimisation, PHYML just returns the likelihood of the starting tree(s).
  • References

  • Z. Yang (1994) J. Mol. Evol. 39, 306-14.
  • S. Ota & W.-H. Li (2001) Mol. Biol. Evol.  18, 1983-1992.
  • N. Saitou & M. Nei (1987) Mol. Biol. Evol.  4(4), 406-425.
  • W. Bruno, N. D. Socci, & A. L. Halpern (2000) Mol. Biol. Evol. 17, 189-197.
  • J. Felsenstein (1989) Cladistics 5, 164-166.
  • G. J. Olsen, H. Matsuda, R. Hagstrom, & R. Overbeek (1994) CABIOS 10, 41-48.
  • N. Goldman (1993) J. Mol. Evol. 36, 182-198.
  • M. Kimura (1980) J. Mol. Evol. 16, 111-120.
  • T. H. Jukes & C. R. Cantor (1969) in Mammalian Protein Metabolism, ed. H. N. Munro. (Academic Press, New York) Vol. III, pp. 21-132.
  • M. Hasegawa, H. Kishino, & T. Yano (1985) J. Mol. Evol.  22, 160-174.
  • J. Felsenstein (1981) J. Mol. Evol. 17, 368-376.
  • David L. Swofford, Gary J. Olsen, Peter J. Waddel, & David M. Hillis (1996) in Molecular Systematics, eds. David M. Hillis, Craig Moritz, & Barbara K. Mable. (Sinauer Associates, Inc., Sunderland, Massachusetts, USA).
  • K. Tamura & M. Nei (1993) Mol. Biol. Evol. 10, 512-526.
  • Lanave C, Preparata G., Saccone C. and Serio G.. (1984) A new method for calculating evolutionary substitution rates. J. Mol. Evol. 20, 86-93.
  • Dayhoff, M. O., R. M. Schwartz, and B. C. Orcutt. (1978). A model of evolutionary change in proteins. In: Dayhoff, M. O. (ed.) Atlas of Protein Sequence Structur, Vol. 5, Suppl. 3. National Biomedical Research Foundation, Washington DC, pp. 345-352.
  • Jones, D. T., W. R. Taylor, and J. M. Thornton. 1992. The rapid generation of mutation data matrices from protein sequences. CABIOS 8: 275-282.
  • S. Whelan and N. Goldman. (2001). A general empirical model of protein evolution derived from multiple protein families using a maximum-likelihood approach Mol. Biol. Evol. 18, 691-699
  • Dimmic M.W., J.S. Rest, D.P. Mindell, and D. Goldstein. 2002. RArtREV: An amino acid substitution matrix for inference of retrovirus and reverse transcriptase phylogeny. Journal of Molecular Evolution 55: 65-73.
  • Adachi, J., P. Waddell, W. Martin, and M. Hasegawa. 2000. Plastid genome phylogeny and a model of amino acid substitution for proteins encoded by chloroplast DNA. Journal of Molecular Evolution 50:348-358.
  • Muller, T., and M. Vingron. 2000. Modeling amino acid replacement. Journal of Computational Biology 7:761-776.
  • Henikoff, S., and J. G. Henikoff. 1992. Amino acid substitution matrices from protein blocks. Proc. Natl. Acad. Sci., U.S.A. 89:10915-10919.
  • Cao, Y. et al. 1998 Conflict amongst individual mitochondrial proteins in resolving the phylogeny of eutherian orders. Journal of Molecular Evolution 15:1600-1611.
  • ./arbsrc_9167/GDE/PHYML/utilities.c0000644012664100000130000033644711213220011016606 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #include "utilities.h" #include "lk.h" #include "optimiz.h" #include "models.h" #include "free.h" #include "bionj.h" #include "simu.h" /*********************************************************/ /* NUMERICAL RECIPES ROUTINES FOR COMPUTING C(n,k) */ /*********************************************************/ double bico(int n, int k) { return floor(0.5+exp(factln(n)-factln(k)-factln(n-k))); } double factln(int n) { static double a[101]; if (n < 0){ Exit("Err: negative factorial in routine FACTLN"); } if (n <= 1) return 0.0; if (n <= 100) return a[n] ? a[n] : (a[n]=gammln(n+1.0)); else return gammln(n+1.0); } double gammln(double xx) { double x,tmp,ser; static double cof[6]={76.18009173,-86.50532033,24.01409822, -1.231739516,0.120858003e-2,-0.536382e-5}; int j; x=xx-1.0; tmp=x+5.5; tmp -= (x+0.5)*log(tmp); ser=1.0; for (j=0;j<=5;j++) { x += 1.0; ser += cof[j]/x; } return -tmp+log(2.50662827465*ser); } /*********************************************************/ /* END OF NUMERICAL RECIPES ROUTINES */ /*********************************************************/ double Pbinom(int N, int ni, double p) { return bico(N,ni)*pow(p,ni)*pow(1-p,N-ni); } /*********************************************************/ void Plim_Binom(double pH0, int N, double *pinf, double *psup) { *pinf = pH0 - 1.64*sqrt(pH0*(1-pH0)/(double)N); if(*pinf < 0) *pinf = .0; *psup = pH0 + 1.64*sqrt(pH0*(1-pH0)/(double)N); } /*********************************************************/ double LnGamma (double alpha) { /* returns ln(gamma(alpha)) for alpha>0, accurate to 10 decimal places. Stirling's formula is used for the central polynomial part of the procedure. Pike MC & Hill ID (1966) Algorithm 291: Logarithm of the gamma function. Communications of the Association for Computing Machinery, 9:684 */ double x=alpha, f=0, z; if (x<7) { f=1; z=x-1; while (++z<7) f*=z; x=z; f=-log(f); } z = 1/(x*x); return f + (x-0.5)*log(x) - x + .918938533204673 + (((-.000595238095238*z+.000793650793651)*z-.002777777777778)*z +.083333333333333)/x; } /*********************************************************/ double IncompleteGamma (double x, double alpha, double ln_gamma_alpha) { /* returns the incomplete gamma ratio I(x,alpha) where x is the upper limit of the integration and alpha is the shape parameter. returns (-1) if in error ln_gamma_alpha = ln(Gamma(alpha)), is almost redundant. (1) series expansion if (alpha>x || x<=1) (2) continued fraction otherwise RATNEST FORTRAN by Bhattacharjee GP (1970) The incomplete gamma integral. Applied Statistics, 19: 285-287 (AS32) */ int i; double p=alpha, g=ln_gamma_alpha; double accurate=1e-8, overflow=1e30; double factor, gin=0, rn=0, a=0,b=0,an=0,dif=0, term=0, pn[6]; if (x==0) return (0); if (x<0 || p<=0) return (-1); factor=exp(p*log(x)-x-g); if (x>1 && x>=p) goto l30; /* (1) series expansion */ gin=1; term=1; rn=p; l20: rn++; term*=x/rn; gin+=term; if (term > accurate) goto l20; gin*=factor/p; goto l50; l30: /* (2) continued fraction */ a=1-p; b=a+x+1; term=0; pn[0]=1; pn[1]=x; pn[2]=x+1; pn[3]=x*b; gin=pn[2]/pn[3]; l32: a++; b+=2; term++; an=a*term; for (i=0; i<2; i++) pn[i+4]=b*pn[i+2]-an*pn[i]; if (pn[5] == 0) goto l35; rn=pn[4]/pn[5]; dif=fabs(gin-rn); if (dif>accurate) goto l34; if (dif<=accurate*rn) goto l42; l34: gin=rn; l35: for (i=0; i<4; i++) pn[i]=pn[i+2]; if (fabs(pn[4]) < overflow) goto l32; for (i=0; i<4; i++) pn[i]/=overflow; goto l32; l42: gin=1-factor*gin; l50: return (gin); } /*********************************************************/ double PointChi2 (double prob, double v) { /* returns z so that Prob{x.999998 || v<=0) return (-1); g = LnGamma (v/2); xx=v/2; c=xx-1; if (v >= -1.24*log(p)) goto l1; ch=pow((p*xx*exp(g+xx*aa)), 1/xx); if (ch-e<0) return (ch); goto l4; l1: if (v>.32) goto l3; ch=0.4; a=log(1-p); l2: q=ch; p1=1+ch*(4.67+ch); p2=ch*(6.73+ch*(6.66+ch)); t=-0.5+(4.67+2*ch)/p1 - (6.73+ch*(13.32+3*ch))/p2; ch-=(1-exp(a+g+.5*ch+c*aa)*p2/p1)/t; if (fabs(q/ch-1)-.01 <= 0) goto l4; else goto l2; l3: x=PointNormal (p); p1=0.222222/v; ch=v*pow((x*sqrt(p1)+1-p1), 3.0); if (ch>2.2*v+6) ch=-2*(log(1-p)-c*log(.5*ch)+g); l4: q=ch; p1=.5*ch; if ((t=IncompleteGamma (p1, xx, g))<0) { printf ("\nerr IncompleteGamma"); return (-1); } p2=p-t; t=p2*exp(xx*aa+g+p1-c*log(ch)); b=t/ch; a=0.5*t-b*c; s1=(210+a*(140+a*(105+a*(84+a*(70+60*a))))) / 420; s2=(420+a*(735+a*(966+a*(1141+1278*a))))/2520; s3=(210+a*(462+a*(707+932*a)))/2520; s4=(252+a*(672+1182*a)+c*(294+a*(889+1740*a)))/5040; s5=(84+264*a+c*(175+606*a))/2520; s6=(120+c*(346+127*c))/5040; ch+=t*(1+0.5*t*s1-b*c*(s1-b*(s2-b*(s3-b*(s4-b*(s5-b*s6)))))); if (fabs(q/ch-1) > e) goto l4; return (ch); } /*********************************************************/ double PointNormal (double prob) { /* returns z so that Prob{xn_otu = n_otu; Init_Tree(tree); tree->noeud[n_otu]=(node *)mCalloc(1,sizeof(node)); tree->noeud[n_otu]->v = NULL; Make_Node_Light(tree->noeud[n_otu]); tree->noeud[n_otu]->num=n_otu; tree->noeud[n_otu]->tax=0; subs = Sub_Trees(s_tree,°ree); Clean_Multifurcation(subs,degree,3); if(!strlen(subs[2])) Exit("\n. Err: unrooted tree is needed\n"); sub_tp=(char *)mCalloc((int)strlen(s_tree),sizeof(char)); tree->has_branch_lengths = 1; For(i,degree) { strcpy(sub_tp,subs[i]); strcat(sub_tp,":"); if(strstr(s_tree,sub_tp)) { tree->noeud[n_otu]->l[i] = atof((char *)strstr(s_tree,sub_tp)+strlen(subs[i])+1); } else tree->has_branch_lengths = 0; } Free(sub_tp); n_int = n_ext = 0; For(i,degree) R_rtree(subs[i],tree->noeud[n_otu],tree,&n_int,&n_ext); Make_All_Edges_Light(tree->noeud[0],tree->noeud[0]->v[0]); i = 0; Init_Tree_Edges(tree->noeud[0],tree->noeud[0]->v[0],tree,&i); For(i,NODE_DEG_MAX) Free(subs[i]); Free(subs); return tree; } /*********************************************************/ void Make_All_Edges_Light(node *a, node *d) { int i; Make_Edge_Light(a,d); if(d->tax) return; else { For(i,3) { if(d->v[i] != a) Make_All_Edges_Light(d,d->v[i]); } } } /*********************************************************/ void Make_All_Edges_Lk(node *a, node *d, arbre *tree) { int i; Make_Edge_Lk(a,d,tree); if(d->tax) return; else { For(i,3) { if(d->v[i] != a) Make_All_Edges_Lk(d,d->v[i],tree); } } } /*********************************************************/ void R_rtree(char *s_tree, node *pere, arbre *tree, int *n_int, int *n_ext) { int i; char *sub_tp; node *fils; int n_otu = tree->n_otu; if(strstr(s_tree," ")) Exit("\n Err : tree must not contain a ' ' character\n"); fils=(node *)mCalloc(1,sizeof(node)); fils->v = NULL; Make_Node_Light(fils); if(s_tree[0] == '(') { char **subs; int degree; (*n_int)+=1; tree->noeud[n_otu+*n_int]=fils; fils->num=n_otu+*n_int; fils->tax=0; if(s_tree[(int)strlen(s_tree)-1] == '*') { fils->check_branch = 1; s_tree[(int)strlen(s_tree)-1] = '\0'; } For(i,3) { if(!pere->v[i]) { pere->v[i]=fils; fils->l[0]=pere->l[i]; break; } } fils->v[0]=pere; subs=Sub_Trees(s_tree,°ree); Clean_Multifurcation(subs,degree,2); sub_tp = (char *)mCalloc(T_MAX_LINE,sizeof(char)); strcpy(sub_tp,subs[0]); strcat(sub_tp,":"); if(strstr(s_tree,sub_tp)) { fils->l[1] = atof((char *)strstr(s_tree,sub_tp) +(int)strlen(subs[0])+1); } strcpy(sub_tp,subs[1]); strcat(sub_tp,":"); if(strstr(s_tree,sub_tp)) { fils->l[2] = atof((char *)strstr(s_tree,sub_tp) +(int)strlen(subs[1])+1); } Free(sub_tp); R_rtree(subs[0],fils,tree,n_int,n_ext); R_rtree(subs[1],fils,tree,n_int,n_ext); For(i,NODE_DEG_MAX) Free(subs[i]); Free(subs); } else { tree->noeud[*n_ext]=fils; fils->tax=1; For(i,3) { if(!pere->v[i]) { pere->v[i]=fils; fils->l[0]=pere->l[i]; break; } } if(s_tree[(int)strlen(s_tree)-1] == '*') { fils->check_branch = 1; s_tree[(int)strlen(s_tree)-1] = '\0'; } fils->v[0]=pere; strcpy(fils->name,s_tree); fils->num=*n_ext; (*n_ext)+=1; } } /*********************************************************/ void Clean_Multifurcation(char **subtrees, int current_deg, int end_deg) { if(current_deg <= end_deg) return; else { char *s_tmp; int i; s_tmp = (char *)mCalloc(T_MAX_LINE,sizeof(char)); strcat(s_tmp,"(\0"); strcat(s_tmp,subtrees[0]); strcat(s_tmp,",\0"); strcat(s_tmp,subtrees[1]); strcat(s_tmp,")\0"); Free(subtrees[0]); subtrees[0] = s_tmp; for(i=1;inoeud[tree->n_otu+i]->v[0]) || (!tree->noeud[tree->n_otu+i]->v[1]) || (!tree->noeud[tree->n_otu+i]->v[2])) i++; R_wtree(tree->noeud[tree->n_otu+i],tree->noeud[tree->n_otu+i]->v[0],s,tree); R_wtree(tree->noeud[tree->n_otu+i],tree->noeud[tree->n_otu+i]->v[1],s,tree); R_wtree(tree->noeud[tree->n_otu+i],tree->noeud[tree->n_otu+i]->v[2],s,tree); s[(int)strlen(s)-1]=')'; s[(int)strlen(s)]=';'; return s; } /*********************************************************/ void R_wtree(node *pere, node *fils, char *s_tree, arbre *tree) { int i,p; p = -1; if(fils->tax) { strcat(s_tree,fils->name); if((fils->b[0]) && (fils->b[0]->l != -1)) { strcat(s_tree,":"); sprintf(s_tree+(int)strlen(s_tree),"%f",fils->b[0]->l); fflush(stdout); } sprintf(s_tree+(int)strlen(s_tree),","); } else { s_tree[(int)strlen(s_tree)]='('; For(i,3) { if(fils->v[i] != pere) R_wtree(fils,fils->v[i],s_tree,tree); else p=i; } s_tree[(int)strlen(s_tree)-1]=')'; if(fils->b[0]->l != -1) { if(tree->print_boot_val) sprintf(s_tree+(int)strlen(s_tree),"%d",fils->b[p]->bip_score); strcat(s_tree,":"); sprintf(s_tree+(int)strlen(s_tree),"%f,",fils->b[p]->l); fflush(stdout); } } } /*********************************************************/ void Init_Tree(arbre *tree) { int i; tree->noeud = (node **)mCalloc(2*tree->n_otu-2,sizeof(node *)); tree->t_edges = (edge **)mCalloc(2*tree->n_otu-3,sizeof(edge *)); For(i,2*tree->n_otu-3) tree->t_edges[i] = NULL; tree->best_tree = NULL; tree->old_tree = NULL; tree->has_bip = 0; tree->best_loglk = UNLIKELY; tree->tot_loglk = UNLIKELY; tree->n_swap = 0; tree->tot_dloglk = NULL; tree->tot_d2loglk = NULL; tree->n_pattern = -1; tree->print_boot_val = 0; } /*********************************************************/ void Make_Edge_Light(node *a, node *d) { edge *b; b = (edge *)mCalloc(1,sizeof(edge)); Init_Edge_Light(b); b->left = a; b->rght = d; if(a->tax) {b->rght = a; b->left = d;} /* root */ /* a tip is necessary on the right side of the edge */ Make_Edge_Dirs(b,a,d); b->l = a->l[b->l_r]; if(a->tax) b->l = a->l[b->r_l]; if(b->l < BL_MIN) b->l = BL_MIN; b->l_old = b->l; } /*********************************************************/ void Init_Edge_Light(edge *b) { b->bip_score = 0; b->nj_score = .0; b->site_dlk = -1.; b->site_d2lk = -1.; b->site_dlk_rr = NULL; b->site_d2lk_rr = NULL; b->p_lk_left = NULL; b->p_lk_rght = NULL; b->Pij_rr = NULL; b->dPij_rr = NULL; b->d2Pij_rr = NULL; } /*********************************************************/ void Make_Edge_Dirs(edge *b, node *a, node *d) { int i; b->l_r = b->r_l = -1; For(i,3) { if((a->v[i]) && (a->v[i] == d)) { b->l_r = i; a->b[i] = b; } if((d->v[i]) && (d->v[i] == a)) { b->r_l = i; d->b[i] = b; } } if(a->tax) {b->r_l = 0; For(i,3) if(d->v[i]==a) {b->l_r = i; break;}} b->l_v1 = b->l_v2 = b->r_v1 = b->r_v2 = -1; For(i,3) { if(b->left->v[i] != b->rght) { if(b->l_v1 < 0) b->l_v1 = i; else b->l_v2 = i; } if(b->rght->v[i] != b->left) { if(b->r_v1 < 0) b->r_v1 = i; else b->r_v2 = i; } } } /*********************************************************/ void Make_Edge_Lk(node *a, node *d, arbre *tree) { int i,j; int len; edge *b; b = NULL; For(i,3) if((a->v[i]) && (a->v[i] == d)) {b = a->b[i]; break;} len = (int)tree->data->crunch_len; b->diff_lk = 0.0; b->l_old = b->l; if(!b->Pij_rr) { b->best_conf = 1; b->ql = (double *)mCalloc(3,sizeof(double)); b->Pij_rr = (double ***)mCalloc(tree->mod->n_catg,sizeof(double **)); b->dPij_rr = (double ***)mCalloc(tree->mod->n_catg,sizeof(double **)); b->d2Pij_rr = (double ***)mCalloc(tree->mod->n_catg,sizeof(double **)); For(i,tree->mod->n_catg) { b->Pij_rr[i] = (double **)mCalloc(tree->mod->ns,sizeof(double *)); b->dPij_rr[i] = (double **)mCalloc(tree->mod->ns,sizeof(double *)); b->d2Pij_rr[i] = (double **)mCalloc(tree->mod->ns,sizeof(double *)); For(j,tree->mod->ns) { b->Pij_rr[i][j] = (double *)mCalloc(tree->mod->ns,sizeof(double )); b->dPij_rr[i][j] = (double *)mCalloc(tree->mod->ns,sizeof(double )); b->d2Pij_rr[i][j] = (double *)mCalloc(tree->mod->ns,sizeof(double )); } } b->site_p_lk_left = (double **)mCalloc((int)tree->mod->n_catg,sizeof(double *)); For(i,tree->mod->n_catg) b->site_p_lk_left[i] = (double *)mCalloc(tree->mod->ns,sizeof(double)); b->site_p_lk_rght = (double **)mCalloc((int)tree->mod->n_catg,sizeof(double *)); For(i,tree->mod->n_catg) b->site_p_lk_rght[i] = (double *)mCalloc(tree->mod->ns,sizeof(double)); b->site_dlk_rr = (double *)mCalloc((int)tree->mod->n_catg,sizeof(double)); b->site_d2lk_rr = (double *)mCalloc((int)tree->mod->n_catg,sizeof(double)); b->scale_left = b->scale_rght = 0; b->p_lk_left = NULL; b->p_lk_rght = NULL; b->sum_scale_f_rght = NULL; b->sum_scale_f_left = NULL; b->get_p_lk_left = 0; b->get_p_lk_rght = 0; b->ud_p_lk_left = 0; b->ud_p_lk_rght = 0; } } /*********************************************************/ void Make_Node_Light(node *n) { if(n->v) return; n->v = (node **)mCalloc(3,sizeof(node *)); n->l = (double *)mCalloc(3,sizeof(double)); n->b = (edge **)mCalloc(3,sizeof(edge *)); n->name = (char *)mCalloc(T_MAX_NAME,sizeof(char)); n->score = (double *)mCalloc(3,sizeof(double)); Init_Node_Light(n); } /*********************************************************/ void Init_Node_Light(node *n) { int i; n->check_branch = 0; /* n->is_attach = 0; */ /* n->is_free = 0; */ For(i,3) { n->v[i]=NULL; n->b[i]=NULL; n->l[i]=-1; } } /*********************************************************/ void Make_Node_Lk(node *n) { /* n->n_ex_nodes = (int *)mCalloc(2,sizeof(int)); */ return; } /*********************************************************/ seq **Get_Seq(option *input, int rw) { seq **data; int i,j; char **buff; int n_unkn,n_removed,pos; int *remove; /* rewind(fp_seq); */ if(input->interleaved) data = Read_Seq_Interleaved(input->fp_seq,&(input->mod->n_otu)); else data = Read_Seq_Sequential(input->fp_seq,&(input->mod->n_otu)); if(data) { buff = (char **)mCalloc(input->mod->n_otu,sizeof(char *)); For(i,input->mod->n_otu) buff[i] = (char *)mCalloc(data[0]->len,sizeof(char)); remove = (int *)mCalloc(data[0]->len,sizeof(int)); n_removed = 0; For(i,data[0]->len) { For(j,input->mod->n_otu) { if((data[j]->state[i] == '?') || (data[j]->state[i] == '-')) data[j]->state[i] = 'X'; if(data[j]->state[i] == 'U') data[j]->state[i] = 'T'; if((input->mod->datatype == NT) && (data[j]->state[i] == 'N')) data[j]->state[i] = 'X'; } n_unkn = 0; For(j,input->mod->n_otu) if(data[j]->state[i] == 'X') n_unkn++; if(n_unkn == input->mod->n_otu) { remove[i] = 1; n_removed++; } For(j,input->mod->n_otu) buff[j][i] = data[j]->state[i]; } if(n_removed > 0) { if(input->mod->datatype == NT) printf("\n. %d sites are made from completely undetermined states ('X', '-', '?' or 'N')...\n",n_removed); else printf("\n. %d sites are made from completely undetermined states ('X', '-', '?')...\n",n_removed); } pos = 0; For(i,data[0]->len) { /* if(!remove[i]) */ /* { */ For(j,input->mod->n_otu) data[j]->state[pos] = buff[j][i]; pos++; /* } */ } For(i,input->mod->n_otu) data[i]->len = pos; For(i,input->mod->n_otu) Free(buff[i]); Free(buff); Free(remove); } return data; } /*********************************************************/ seq **Read_Seq_Sequential(FILE *in, int *n_otu) { int i; char *line; int len,readok; seq **data; char c; char *format = (char *)mCalloc(20, sizeof(char)); line = (char *)mCalloc(T_MAX_LINE,sizeof(char)); readok = len = 0; do { if(fscanf(in,"%s",line) == EOF) { Free(line); return NULL; } else { if(strcmp(line,"\n") && strcmp(line,"\n") && strcmp(line,"\t")) { *n_otu = atoi(line); data = (seq **)mCalloc(*n_otu,sizeof(seq *)); if(*n_otu <= 0) Exit("\n. Problem with sequence format\n"); fscanf(in,"%s",line); len = atoi(line); if(len <= 0) Exit("\n. Problem with sequence format\n"); else readok = 1; } } }while(!readok); /* while((c=fgetc(in))!='\n'); */ while(((c=fgetc(in))!='\n') && (c != ' ') && (c != '\r') && (c != '\t')); For(i,*n_otu) { data[i] = (seq *)mCalloc(1,sizeof(seq)); data[i]->len = 0; data[i]->name = (char *)mCalloc(T_MAX_NAME,sizeof(char)); data[i]->state = (char *)mCalloc(T_MAX_SEQ,sizeof(char)); sprintf(format, "%%%ds", T_MAX_NAME); fscanf(in, format, data[i]->name); while(data[i]->len < len) Read_One_Line_Seq(&data,i,in); if(data[i]->len != len) { printf("\n. Err: Problem with species %s's sequence (check the format)\n", data[i]->name); Exit(""); } } /* fgets(line,T_MAX_LINE,in); */ /* inter data sets */ Free(format); Free(line); return data; } /*********************************************************/ seq **Read_Seq_Interleaved(FILE *in, int *n_otu) { int i,end,num_block; char *line; int len,readok; seq **data; char c; char *format; line = (char *)mCalloc(T_MAX_LINE,sizeof(char)); format = (char *)mCalloc(T_MAX_NAME, sizeof(char)); readok = len = 0; do { if(fscanf(in,"%s",line) == EOF) { Free(format); Free(line); return NULL; } else { if(strcmp(line,"\n") && strcmp(line,"\r") && strcmp(line,"\t")) { *n_otu = atoi(line); data = (seq **)mCalloc(*n_otu,sizeof(seq *)); if(*n_otu <= 0) Exit("\n. Problem with sequence format\n"); fscanf(in,"%s",line); len = atoi(line); if(len <= 0) Exit("\n. Problem with sequence format\n"); else readok = 1; } } }while(!readok); while(((c=fgetc(in))!='\n') && (c != ' ') && (c != '\r') && (c != '\t')); end = 0; For(i,*n_otu) { data[i] = (seq *)mCalloc(1,sizeof(seq)); data[i]->len = 0; data[i]->name = (char *)mCalloc(T_MAX_NAME,sizeof(char)); data[i]->state = (char *)mCalloc(T_MAX_SEQ,sizeof(char)); sprintf(format, "%%%ds", T_MAX_NAME); fscanf(in, format, data[i]->name); if(!Read_One_Line_Seq(&data,i,in)) { end = 1; if((i != *n_otu) && (i != *n_otu-1)) { printf("\n. Err: Problem with species %s's sequence\n",data[i]->name); Exit(""); } break; } } if(data[0]->len == len) end = 1; if(!end) { end = 0; num_block = 1; do { num_block++; /* interblock */ if(!fgets(line,T_MAX_LINE,in)) break; if(line[0] != 13 && line[0] != 10) { printf("\n. One or more missing sequences in block %d\n",num_block-1); Exit(""); } For(i,*n_otu) if(data[i]->len != len) break; if(i == *n_otu) break; For(i,*n_otu) { if(data[i]->len > len) { printf("\n. Err: Problem with species %s's sequence\n",data[i]->name); Exit(""); } else if(!Read_One_Line_Seq(&data,i,in)) { end = 1; if((i != *n_otu) && (i != *n_otu-1)) { printf("\n. Err: Problem with species %s's sequence\n",data[i]->name); Exit(""); } break; } } }while(!end); } For(i,*n_otu) { if(data[i]->len != len) { printf("\n. Check sequence '%s' length...\n",data[i]->name); Exit(""); } } Free(format); Free(line); return data; } /*********************************************************/ int Read_One_Line_Seq(seq ***data, int num_otu, FILE *in) { char c; c=' '; while(1) { /* if((c == EOF) || (c == '\n') || (c == '\r')) break; */ if((c == EOF) || (c == 13) || (c == 10)) break; else if((c==' ') || (c=='\t')) {c=(char)fgetc(in); continue;} Uppercase(&c); /*if(strchr("ACGTUMRWSYKBDHVNXO?-.",c) == NULL)*/ if (strchr("ABCDEFGHIKLMNOPQRSTUVWXYZ?-.", c) == NULL) { printf("\n. Err: bad symbol: \"%c\" at position %d of species %s\n", c,(*data)[num_otu]->len,(*data)[num_otu]->name); Exit(""); } if(c == '.') { c = (*data)[0]->state[(*data)[num_otu]->len]; if(!num_otu) Exit("\n. Err: Symbol \".\" should not appear in the first sequence\n"); } (*data)[num_otu]->state[(*data)[num_otu]->len]=c; (*data)[num_otu]->len++; /* if(c=='U') c='T'; */ c = (char)fgetc(in); } if(c == EOF) return 0; else return 1; } /*********************************************************/ void Uppercase(char *ch) { /* convert ch to upper case -- either ASCII or EBCDIC */ *ch = isupper((int)*ch) ? *ch : toupper((int)*ch); } /*********************************************************/ allseq *Compact_Seq(seq **data, option *input) { allseq *alldata; int i,j,k/*,diff*/,site; int n_patt,which_patt,n_invar; char **sp_names; int n_otu; n_otu = input->mod->n_otu; sp_names = (char **)mCalloc(n_otu,sizeof(char *)); For(i,n_otu) { sp_names[i] = (char *)mCalloc(T_MAX_NAME,sizeof(char)); strcpy(sp_names[i],data[i]->name); } alldata = Make_Seq(n_otu,data[0]->len,sp_names); For(i,n_otu) Free(sp_names[i]); Free(sp_names); n_patt = which_patt = 0; /* diff = -1;*/ if(data[0]->len%input->mod->stepsize) { printf("\n. Sequence length is not a multiple of %d\n",input->mod->stepsize); Exit(""); } Fors(site,data[0]->len,input->mod->stepsize) { Fors(k,n_patt,input->mod->stepsize) { For(j,n_otu) { if(/*!Compare_Two_States*/strncmp(alldata->c_seq[j]->state+k, data[j]->state+site, input->mod->stepsize)) break; } if(j == n_otu) { which_patt = k; break; } } /* k = n_patt; */ if(k == n_patt) { For(j,n_otu) Copy_One_State(data[j]->state+site, alldata->c_seq[j]->state+n_patt, input->mod->stepsize); for(j=0;jc_seq[j]->state+n_patt,input->mod->datatype,input->mod->stepsize) || */ /* (/\*!Compare_Two_States*\/strncmp(alldata->c_seq[j]->state+n_patt, */ /* alldata->c_seq[0]->state+n_patt, */ /* input->mod->stepsize)))) */ if(!(Are_Compatible(alldata->c_seq[j]->state+n_patt, alldata->c_seq[0]->state+n_patt, input->mod->stepsize, input->mod->datatype))) break; } if(j==n_otu) { For(j,n_otu) { alldata->invar[n_patt] = Assign_State(alldata->c_seq[j]->state+n_patt, input->mod->datatype, input->mod->stepsize); break; } } else alldata->invar[n_patt] = -1; /* Print_Site(alldata,k,n_otu,"\n",input->mod->stepsize); */ alldata->sitepatt[site] = n_patt; alldata->wght[n_patt] += 1.; n_patt+=input->mod->stepsize; } else { alldata->sitepatt[site] = which_patt; alldata->wght[which_patt] += 1.; } } alldata->init_len = data[0]->len; alldata->crunch_len = n_patt; For(i,n_otu) alldata->c_seq[i]->len = n_patt; /* fprintf(stderr,"%d patterns found\n",n_patt); */ /* For(site,alldata->crunch_len) printf("%1.0f",alldata->wght[site]); */ n_invar=0; For(i,alldata->crunch_len) if(alldata->invar[i]>-1) n_invar+=(int)alldata->wght[i]; if(input->mod->datatype == NT) Get_Base_Freqs(alldata); else Get_AA_Freqs(alldata); /* fprintf(stderr,"Average nucleotides frequencies : \n"); */ /* fprintf(stderr,"%f %f %f %f\n", */ /* alldata->b_frq[0], */ /* alldata->b_frq[1], */ /* alldata->b_frq[2], */ /* alldata->b_frq[3]); */ return alldata; } /*********************************************************/ allseq *Compact_CSeq(allseq *data, model *mod) { allseq *alldata; int i,j,k,site; int n_patt,which_patt; int n_otu; n_otu = data->n_otu; alldata = (allseq *)mCalloc(1,sizeof(allseq)); alldata->n_otu=n_otu; alldata->c_seq = (seq **)mCalloc(n_otu,sizeof(seq *)); alldata->wght = (double *)mCalloc(data->crunch_len,sizeof(double)); alldata->b_frq = (double *)mCalloc(mod->ns,sizeof(double)); alldata->ambigu = (int *)mCalloc(data->crunch_len,sizeof(int)); alldata->invar = (int *)mCalloc(data->crunch_len,sizeof(int)); alldata->crunch_len = alldata->init_len = -1; For(j,n_otu) { alldata->c_seq[j] = (seq *)mCalloc(1,sizeof(seq)); alldata->c_seq[j]->name = (char *)mCalloc(T_MAX_NAME,sizeof(char)); strcpy(alldata->c_seq[j]->name,data->c_seq[j]->name); alldata->c_seq[j]->state = (char *)mCalloc(data->crunch_len,sizeof(char)); alldata->c_seq[j]->state[0] = data->c_seq[j]->state[0]; } n_patt = which_patt = 0; Fors(site,data->crunch_len,mod->stepsize) { Fors(k,n_patt,mod->stepsize) { For(j,n_otu) { if(/*!Compare_Two_States*/strncmp(alldata->c_seq[j]->state+k, data->c_seq[j]->state+site, mod->stepsize)) break; } if(j == n_otu) { which_patt = k; break; } } if(k == n_patt) { For(j,n_otu) Copy_One_State(data->c_seq[j]->state+site, alldata->c_seq[j]->state+n_patt, mod->stepsize); for(j=1;jc_seq[j]->state+n_patt, alldata->c_seq[j-1]->state+n_patt, mod->stepsize)) break; if(j==n_otu) alldata->invar[n_patt] = 1; alldata->wght[n_patt] += data->wght[site]; n_patt+=mod->stepsize; } else alldata->wght[which_patt] += data->wght[site]; /* Print_Site(alldata,k,n_otu,"\n",mod->stepsize); */ } alldata->init_len = data->crunch_len; alldata->crunch_len = n_patt; For(i,n_otu) alldata->c_seq[i]->len = n_patt; (mod->datatype == NT)? (Get_Base_Freqs(alldata)): (Get_AA_Freqs(alldata)); return alldata; } /*********************************************************/ void Get_Base_Freqs(allseq *data) { int i,j,k; double A,C,G,T; double fA,fC,fG,fT; double w; fA = fC = fG = fT = .25; For(k,8) { A = C = G = T = .0; For(i,data->n_otu) { For(j,data->crunch_len) { w = data->wght[j]; if(w) { switch(data->c_seq[i]->state[j]){ case 'A' : A+=w; break; case 'C' : C+=w; break; case 'G' : G+=w; break; case 'T' : T+=w; break; case 'U' : T+=w; break; case 'M' : C+=w*fC/(fC+fA); A+=w*fA/(fA+fC); break; case 'R' : G+=w*fG/(fA+fG); A+=w*fA/(fA+fG); break; case 'W' : T+=w*fT/(fA+fT); A+=w*fA/(fA+fT); break; case 'S' : C+=w*fC/(fC+fG); G+=w*fG/(fC+fG); break; case 'Y' : C+=w*fC/(fC+fT); T+=w*fT/(fT+fC); break; case 'K' : G+=w*fG/(fG+fT); T+=w*fT/(fT+fG); break; case 'B' : C+=w*fC/(fC+fG+fT); G+=w*fG/(fC+fG+fT); T+=w*fT/(fC+fG+fT); break; case 'D' : A+=w*fA/(fA+fG+fT); G+=w*fG/(fA+fG+fT); T+=w*fT/(fA+fG+fT); break; case 'H' : A+=w*fA/(fA+fC+fT); C+=w*fC/(fA+fC+fT); T+=w*fT/(fA+fC+fT); break; case 'V' : A+=w*fA/(fA+fC+fG); C+=w*fC/(fA+fC+fG); G+=w*fG/(fA+fC+fG); break; case 'N' : case 'X' : case '?' : case 'O' : case '-' : A+=w*fA; C+=w*fC; G+=w*fG; T+=w*fT; break; default : break; } } } } fA = A/(A+C+G+T); fC = C/(A+C+G+T); fG = G/(A+C+G+T); fT = T/(A+C+G+T); } data->b_frq[0] = fA; data->b_frq[1] = fC; data->b_frq[2] = fG; data->b_frq[3] = fT; } /*********************************************************/ void Get_AA_Freqs(allseq *data) { int i,j,k; double A,C,D,E,F,G,H,I,K,L,M,N,P,Q,R,S,T,V,W,Y; double fA,fC,fD,fE,fF,fG,fH,fI,fK,fL,fM,fN,fP,fQ,fR,fS,fT,fV,fW,fY; double w; double sum; fA = fC = fD = fE = fF = fG = fH = fI = fK = fL = fM = fN = fP = fQ = fR = fS = fT = fV = fW = fY = 1./20.; For(k,8) { A = C = D = E = F = G = H = I = K = L = M = N = P = Q = R = S = T = V = W = Y = .0; For(i,data->n_otu) { For(j,data->crunch_len) { w = data->wght[j]; if(w) { switch(data->c_seq[i]->state[j]){ case 'A' : A+=w; break; case 'C' : C+=w; break; case 'D' : D+=w; break; case 'E' : E+=w; break; case 'F' : F+=w; break; case 'G' : G+=w; break; case 'H' : H+=w; break; case 'I' : I+=w; break; case 'K' : K+=w; break; case 'L' : L+=w; break; case 'M' : M+=w; break; case 'N' : N+=w; break; case 'P' : P+=w; break; case 'Q' : Q+=w; break; case 'R' : R+=w; break; case 'S' : S+=w; break; case 'T' : T+=w; break; case 'V' : V+=w; break; case 'W' : W+=w; break; case 'Y' : Y+=w; break; case 'Z' : Q+=w; break; case 'X' : case '?' : case 'O' : case '-' : A+=w*fA; C+=w*fC; D+=w*fD; E+=w*fE; F+=w*fF; G+=w*fG; H+=w*fH; I+=w*fI; K+=w*fK; L+=w*fL; M+=w*fM; N+=w*fN; P+=w*fP; Q+=w*fQ; R+=w*fR; S+=w*fS; T+=w*fT; V+=w*fV; W+=w*fW; Y+=w*fY; break; default : break; } } } } sum = (A+C+D+E+F+G+H+I+K+L+M+N+P+Q+R+S+T+V+W+Y); fA = A/sum; fC = C/sum; fD = D/sum; fE = E/sum; fF = F/sum; fG = G/sum; fH = H/sum; fI = I/sum; fK = K/sum; fL = L/sum; fM = M/sum; fN = N/sum; fP = P/sum; fQ = Q/sum; fR = R/sum; fS = S/sum; fT = T/sum; fV = V/sum; fW = W/sum; fY = Y/sum; } data->b_frq[0] = fA; data->b_frq[1] = fR; data->b_frq[2] = fN; data->b_frq[3] = fD; data->b_frq[4] = fC; data->b_frq[5] = fQ; data->b_frq[6] = fE; data->b_frq[7] = fG; data->b_frq[8] = fH; data->b_frq[9] = fI; data->b_frq[10] = fL; data->b_frq[11] = fK; data->b_frq[12] = fM; data->b_frq[13] = fF; data->b_frq[14] = fP; data->b_frq[15] = fS; data->b_frq[16] = fT; data->b_frq[17] = fW; data->b_frq[18] = fY; data->b_frq[19] = fV; } /*********************************************************/ arbre *Read_Tree_File(FILE *fp_input_tree) { char *line; arbre *tree; int i; char c; line = (char *)mCalloc(T_MAX_LINE,sizeof(char)); do c=fgetc(fp_input_tree); while((c != '(') && (c != EOF)); if(c==EOF) { Free(line); return NULL; } i=0; for(;;) { if((c == ' ') || (c == '\n')) { c=fgetc(fp_input_tree); if(c==EOF) break; else continue; } line[i]=c; i++; c=fgetc(fp_input_tree); if(c==EOF || c==';') break; } tree = Read_Tree(line); Free(line); return tree; } /*********************************************************/ void Init_Tree_Edges(node *a, node *d, arbre *tree, int *cur) { int i,dir_a_d; dir_a_d = -1; For(i,3) if(a->v[i] == d) {dir_a_d = i; break;} tree->t_edges[*cur] = a->b[dir_a_d]; tree->t_edges[*cur]->num = *cur; *cur = *cur + 1; if(d->tax) return; else { For(i,3) { if(d->v[i] != a) Init_Tree_Edges(d,d->v[i],tree,cur); } } } /*********************************************************/ void Exit(char *message) { fprintf(stderr,"%s",message); exit(1); } /*********************************************************/ void *mCalloc(int nb, size_t size) { void *allocated; if((allocated = calloc((size_t)nb,(size_t)size)) != NULL) { return allocated; } else Exit("\n. Err: low memory\n"); return NULL; } /*********************************************************/ void *mRealloc(void *p,int nb, size_t size) { if((p = realloc(p,(size_t)nb*size)) != NULL) return p; else Exit("\n. Err: low memory\n"); return NULL; } /*********************************************************/ arbre *Make_Light_Tree_Struct(int n_otu) { arbre *tree; int i; tree = (arbre *)mCalloc(1,sizeof(arbre )); tree->t_edges = (edge **)mCalloc(2*n_otu-3,sizeof(edge *)); tree->noeud = (node **)mCalloc(2*n_otu-2,sizeof(node *)); tree->n_otu = n_otu; For(i,2*n_otu-3) { tree->t_edges[i] = (edge *)mCalloc(1,sizeof(edge)); Init_Edge_Light(tree->t_edges[i]); } For(i,2*n_otu-2) { tree->noeud[i] = (node *)mCalloc(1,sizeof(node)); tree->noeud[i]->v = NULL; Make_Node_Light(tree->noeud[i]); } return tree; } /*********************************************************/ int Sort_Double_Decrease(const void *a, const void *b) { if((*(double *)(a)) >= (*(double *)(b))) return -1; else return 1; } /*********************************************************/ void qksort(double* A, int ilo, int ihi) { double pivot; // pivot value for partitioning array int ulo, uhi; // indices at ends of unpartitioned region int ieq; // least index of array entry with value equal to pivot double tempEntry; // temporary entry used for swapping if (ilo >= ihi) { return; } // Select a pivot value. pivot = A[(ilo + ihi)/2]; // Initialize ends of unpartitioned region and least index of entry // with value equal to pivot. ieq = ulo = ilo; uhi = ihi; // While the unpartitioned region is not empty, try to reduce its size. while (ulo <= uhi) { if (A[uhi] > pivot) { // Here, we can reduce the size of the unpartitioned region and // try again. uhi--; } else { // Here, A[uhi] <= pivot, so swap entries at indices ulo and // uhi. tempEntry = A[ulo]; A[ulo] = A[uhi]; A[uhi] = tempEntry; // After the swap, A[ulo] <= pivot. if (A[ulo] < pivot) { // Swap entries at indices ieq and ulo. tempEntry = A[ieq]; A[ieq] = A[ulo]; A[ulo] = tempEntry; // After the swap, A[ieq] < pivot, so we need to change // ieq. ieq++; // We also need to change ulo, but we also need to do // that when A[ulo] = pivot, so we do it after this if // statement. } // Once again, we can reduce the size of the unpartitioned // region and try again. ulo++; } } // Now, all entries from index ilo to ieq - 1 are less than the pivot // and all entries from index uhi to ihi + 1 are greater than the // pivot. So we have two regions of the array that can be sorted // recursively to put all of the entries in order. qksort(A, ilo, ieq - 1); qksort(A, uhi + 1, ihi); } /********************************************************/ void Print_Site(allseq *alldata, int num, int n_otu, char *sep, int stepsize) { int i,j; For(i,n_otu) { printf("%s ",alldata->c_seq[i]->name); For(j,stepsize) printf("%c",alldata->c_seq[i]->state[num+j]); printf("%s",sep); } fprintf(stderr,"%s",sep); } /*********************************************************/ void Print_Site_Lk(arbre *tree, FILE *fp) { int site; int catg; char *s; s = (char *)mCalloc(T_MAX_LINE,sizeof(char)); fprintf(fp,"Note : P(D|M) is the probability of site D given the model M (i.e., the site likelihood)\n"); if(tree->mod->n_catg > 1 || tree->mod->invar) fprintf(fp,"P(D|M,rr[x]) is the probability of site D given the model M and the relative rate\nof evolution rr[x], where x is the class of rate to be considered.\nWe have P(D|M) = \\sum_x P(x) x P(D|M,rr[x]).\n"); fprintf(fp,"\n\n"); sprintf(s,"Site"); fprintf(fp, "%-7s",s); sprintf(s,"P(D|M)"); fprintf(fp,"%-16s",s); if(tree->mod->n_catg > 1) { For(catg,tree->mod->n_catg) { sprintf(s,"P(D|M,rr[%d]=%5.4f)",catg+1,tree->mod->rr[catg]); fprintf(fp,"%-22s",s); } } if(tree->mod->invar) { sprintf(s,"P(D|M,rr[0]=0)"); fprintf(fp,"%-16s",s); } fprintf(fp,"\n"); For(site,tree->data->init_len) { fprintf(fp,"%-7d",site+1); fprintf(fp,"%-16g",exp(tree->site_lk[tree->data->sitepatt[site]])); if(tree->mod->n_catg > 1) { For(catg,tree->mod->n_catg) fprintf(fp,"%-22g",exp(tree->log_site_lk_cat[catg][tree->data->sitepatt[site]])); } if(tree->mod->invar) { if ((double)tree->data->invar[site] > -0.5) fprintf(fp,"%-16g",tree->mod->pi[tree->data->invar[tree->data->sitepatt[site]]]); else fprintf(fp,"%-16g",0.0); } fprintf(fp,"\n"); } Free(s); } /*********************************************************/ void Print_Seq(seq **data, int n_otu) { int i,j; printf("%d\t%d\n",n_otu,data[0]->len); For(i,n_otu) { For(j,23) { if(j<(int)strlen(data[i]->name)) putchar(data[i]->name[j]); else putchar(' '); } For(j,data[i]->len) /*FLT uncommented*/ /* For(j,2000)*//*FLT commented*/ { printf("%c",data[i]->state[j]); } printf("\n"); } } /*********************************************************/ void Print_CSeq(FILE *fp, allseq *alldata) { int i,j,k; int n_otu; n_otu = alldata->n_otu; fprintf(fp,"%d\t%d\n",n_otu,alldata->init_len); For(i,n_otu) { For(j,23) { if(j<(int)strlen(alldata->c_seq[i]->name)) fputc(alldata->c_seq[i]->name[j],fp); else fputc(' ',fp); } For(j,alldata->crunch_len) { For(k,alldata->wght[j]) fprintf(fp,"%c",alldata->c_seq[i]->state[j]); } fprintf(fp,"\n"); } fprintf(fp,"\n"); /* printf("\t"); */ /* For(j,alldata->crunch_len) */ /* printf("%.0f ",alldata->wght[j]); */ /* printf("\n"); */ } /*********************************************************/ void Order_Tree_Seq(arbre *tree, seq **data) { int i,j,n_otu; seq *buff; n_otu = tree->n_otu; For(i,n_otu) { For(j,n_otu) { if(!strcmp(tree->noeud[i]->name,data[j]->name)) break; } buff = data[j]; data[j] = data[i]; data[i] = buff; } } /*********************************************************/ void Order_Tree_CSeq(arbre *tree, allseq *data) { int i,j,n_otu_tree,n_otu_seq; seq *buff; n_otu_tree = tree->n_otu; n_otu_seq = data->n_otu; if(n_otu_tree != n_otu_seq) { /* printf("%d(tree) != %d(seq) \n",n_otu_tree,n_otu_seq); */ Exit("\n. The number of tips in the tree is not the same as the number of sequences\n"); } For(i,MAX(n_otu_tree,n_otu_seq)) { For(j,MIN(n_otu_tree,n_otu_seq)) { if(!strcmp(tree->noeud[i]->name,data->c_seq[j]->name)) break; } if(j==MIN(n_otu_tree,n_otu_seq)) { printf("\n. Err: %s is not found in sequences data set\n", tree->noeud[i]->name); Exit(""); } buff = data->c_seq[j]; data->c_seq[j] = data->c_seq[i]; data->c_seq[i] = buff; } } /*********************************************************/ matrix *Make_Mat(int n_otu) { matrix *mat; int i; mat = (matrix *)mCalloc(1,sizeof(matrix)); mat->n_otu = n_otu; mat->P = (double **)mCalloc(n_otu,sizeof(double *)); mat->Q = (double **)mCalloc(n_otu,sizeof(double *)); mat->dist = (double **)mCalloc(n_otu,sizeof(double *)); mat->on_off = (int *)mCalloc(n_otu,sizeof(int)); mat->name = (char **)mCalloc(n_otu,sizeof(char *)); mat->tip_node = (node **)mCalloc(n_otu,sizeof(node *)); For(i,n_otu) { mat->P[i] = (double *)mCalloc(n_otu,sizeof(double)); mat->Q[i] = (double *)mCalloc(n_otu,sizeof(double)); mat->dist[i] = (double *)mCalloc(n_otu,sizeof(double)); mat->name[i] = (char *)mCalloc(T_MAX_NAME,sizeof(char)); } return mat; } /*********************************************************/ void Init_Mat(matrix *mat, allseq *data) { int i; mat->n_otu = data->n_otu; mat->r = mat->n_otu; mat->curr_int = mat->n_otu; mat->method = 1; For(i,data->n_otu) { strcpy(mat->name[i],data->c_seq[i]->name); mat->on_off[i] = 1; } } /*********************************************************/ arbre *Make_Tree(allseq *data) { arbre *tree; int i; tree = (arbre *)mCalloc(1,sizeof(arbre )); tree->n_otu = data->n_otu; Init_Tree(tree); For(i,2*tree->n_otu-2) { tree->noeud[i] = (node *)mCalloc(1,sizeof(node)); tree->noeud[i]->v = NULL; Make_Node_Light(tree->noeud[i]); } For(i,tree->n_otu) { strcpy(tree->noeud[i]->name,data->c_seq[i]->name); tree->noeud[i]->tax = 1; tree->noeud[i]->num = i; } return tree; } /*********************************************************/ void Print_Dist(matrix *mat) { int i,j; For(i,mat->n_otu) { printf("%s ",mat->name[i]); For(j,mat->n_otu) printf("%9.6f ",mat->dist[i][j]); printf("\n"); } } /*********************************************************/ void Print_Node(node *a, node *d, arbre *tree) { int i; printf("N %2d %2d ",a->num,d->num); For(i,3) if(a->v[i] == d) {printf("%2d %f\n", a->b[i]->num, /* a->b[i]->check_this_one, */ a->b[i]->nj_score); break;} if(d->tax) return; else For(i,3) if(d->v[i] != a) Print_Node(d,d->v[i],tree); } /*********************************************************/ void Share_Lk_Struct(arbre *t_full, arbre *t_empt) { int i,n_otu; edge *b_e,*b_f; n_otu = t_full->n_otu; t_empt->root = t_empt->noeud[0]; t_empt->tot_loglk_sorted = t_full->tot_loglk_sorted; t_empt->log_site_lk_cat = t_full->log_site_lk_cat; t_empt->site_lk = t_full->site_lk; t_empt->tot_dloglk = t_full->tot_dloglk; t_empt->tot_d2loglk = t_full->tot_d2loglk; /* t_empt->mod = t_full->mod; */ /* t_empt->data = t_full->data; */ /* t_empt->mod->s_opt = t_full->mod->s_opt; */ /* For(i,2*n_otu-2) */ /* t_empt->noeud[i]->n_ex_nodes = t_full->noeud[i]->n_ex_nodes; */ For(i,2*n_otu-3) { b_f = t_full->t_edges[i]; b_e = t_empt->t_edges[i]; b_e->Pij_rr = b_f->Pij_rr; b_e->dPij_rr = b_f->dPij_rr; b_e->d2Pij_rr = b_f->d2Pij_rr; b_e->p_lk_left = b_f->p_lk_left; b_e->p_lk_rght = b_f->p_lk_rght; b_e->sum_scale_f_left = b_f->sum_scale_f_left; b_e->sum_scale_f_rght = b_f->sum_scale_f_rght; b_e->site_p_lk_left = b_f->site_p_lk_left; b_e->site_p_lk_rght = b_f->site_p_lk_rght; b_e->site_dlk_rr = b_f->site_dlk_rr; b_e->site_d2lk_rr = b_f->site_d2lk_rr; b_e->ql = b_f->ql; } } /*********************************************************/ /* void Init_Constant() */ /* { */ /* NODE_DEG_MAX = 50; */ /* BRENT_ITMAX = 100; */ /* BRENT_CGOLD = 0.3819660; */ /* BRENT_ZEPS = 1.e-10; */ /* MNBRAK_GOLD = 1.618034; */ /* MNBRAK_GLIMIT = 100.0; */ /* MNBRAK_TINY = 1.e-20; */ /* ALPHA_MIN = 0.04; */ /* ALPHA_MAX = 100; */ /* BL_MIN = 1.e-10; */ /* BL_START = 1.e-03; */ /* BL_MAX = 1.e+05; */ /* MIN_DIFF_LK = 1.e-06; */ /* GOLDEN_R = 0.61803399; */ /* GOLDEN_C = (1.0-GOLDEN_R); */ /* T_MAX_FILE = 200; */ /* T_MAX_LINE = 100000; */ /* T_MAX_NAME = 100; */ /* T_MAX_SEQ = 1000000; */ /* N_MAX_INSERT = 20; */ /* N_MAX_OTU = 4000; */ /* UNLIKELY = -1.e10; */ /* NJ_SEUIL = 0.1; */ /* ROUND_MAX = 100; */ /* DIST_MAX = 2.00; */ /* AROUND_LK = 50.0; */ /* PROP_STEP = 1.0; */ /* T_MAX_ALPHABET = 100; */ /* MDBL_MIN = 2.225074E-308; */ /* MDBL_MAX = 1.797693E+308; */ /* POWELL_ITMAX = 200; */ /* LINMIN_TOL = 2.0E-04; */ /* LIM_SCALE = 3; */ /* LIM_SCALE_VAL = 1.E-50; */ /* /\* LIM_SCALE = 300; *\/ */ /* /\* LIM_SCALE_VAL = 1.E-500; *\/ */ /* } */ /*********************************************************/ void Print_Mat(matrix *mat) { int i,j; printf("%d",mat->n_otu); printf("\n"); For(i,mat->n_otu) { For(j,13) { if(j>=(int)strlen(mat->name[i])) putchar(' '); else putchar(mat->name[i][j]); } For(j,mat->n_otu) { if(mat->dist[i][j] == -1) printf(" - "); else printf("%7.8f ",mat->dist[i][j]); } printf("\n"); } } /*********************************************************/ int Sort_Edges_Diff_Lk(arbre *tree, edge **sorted_edges, int n_elem) { int i,j; edge *buff; For(i,n_elem-1) { for(j=i+1;jdiff_lk < sorted_edges[i]->diff_lk) { buff = sorted_edges[j]; sorted_edges[j] = sorted_edges[i]; sorted_edges[i] = buff; } } } return 1; } /*********************************************************/ void NNI(arbre *tree, edge *b_fcus, int do_swap) { int l_r, r_l, l_v1, l_v2, r_v3, r_v4; node *v1,*v2,*v3,*v4; double lk1, lk2, lk3; double lk1_init, lk2_init, lk3_init; double bl_init; double l1,l2,l3; double l_infa, l_infb, l_max; /* double lk_infa, lk_infb, lk_max; */ double lk_init; bl_init = b_fcus->l; lk_init = tree->tot_loglk; b_fcus->best_conf = 1; b_fcus->diff_lk = .0; lk1 = lk2 = lk3 = UNLIKELY; v1 = v2 = v3 = v4 = NULL; l_r = r_l = l_v1 = l_v2 = r_v3 = r_v4 = -1; l_r = b_fcus->l_r; r_l = b_fcus->r_l; v1 = b_fcus->left->v[b_fcus->l_v1]; v2 = b_fcus->left->v[b_fcus->l_v2]; v3 = b_fcus->rght->v[b_fcus->r_v1]; v4 = b_fcus->rght->v[b_fcus->r_v2]; l1 = l2 = l3 = -1.; /***********/ Swap(v2,b_fcus->left,b_fcus->rght,v3,tree); tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; lk2_init = Update_Lk_At_Given_Edge(b_fcus,tree); l_infa = 10.*b_fcus->l; l_max = b_fcus->l; l_infb = BL_MIN; lk2 = Br_Len_Brent(l_infa,l_max,l_infb, 1.e-6, &(b_fcus->l), b_fcus,tree,1000); if(lk2 < lk2_init - MIN_DIFF_LK) { printf("%f %f %f %f\n",l_infa,l_max,l_infb,b_fcus->l); printf("%f -- %f \n",lk2_init,lk2); printf("\n. Err. in Optimize_Br_Len_Serie\n"); } l2 = b_fcus->l; Swap(v3,b_fcus->left,b_fcus->rght,v2,tree); /***********/ /***********/ Swap(v2,b_fcus->left,b_fcus->rght,v4,tree); b_fcus->l = bl_init; tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; lk3_init = Update_Lk_At_Given_Edge(b_fcus,tree); l_infa = 10.*b_fcus->l; l_max = b_fcus->l; l_infb = BL_MIN; lk3 = Br_Len_Brent(l_infa,l_max,l_infb, 1.e-6, &(b_fcus->l), b_fcus,tree,1000); if(lk3 < lk3_init - MIN_DIFF_LK) { printf("%f %f %f %f\n",l_infa,l_max,l_infb,b_fcus->l); printf("%f -- %f \n",lk3_init,lk3); printf("\n. Err. in NNI (2)\n"); } l3 = b_fcus->l; Swap(v4,b_fcus->left,b_fcus->rght,v2,tree); /***********/ /***********/ b_fcus->l = bl_init; tree->mod->s_opt->opt_bl = 0; tree->both_sides = 1; lk1_init = Update_Lk_At_Given_Edge(b_fcus,tree); if((lk1_init < lk_init - MIN_DIFF_LK) || (lk1_init > lk_init + MIN_DIFF_LK)) { printf("\n\n. lk_init = %E; lk = %E\n", lk_init, lk1_init); Exit("\n. Err. in NNI (3)\n"); } l_infa = 10.*b_fcus->l; l_max = b_fcus->l; l_infb = BL_MIN; lk1 = Br_Len_Brent(l_infa,l_max,l_infb, 1.e-6, &(b_fcus->l), b_fcus,tree,1000); if(lk1 < lk_init - MIN_DIFF_LK) { printf("\n\n%f %f %f %f\n",l_infa,l_max,l_infb,b_fcus->l); printf("%f -- %f \n",lk1_init,lk1); printf("\n. Err. in NNI (3)\n"); } l1 = b_fcus->l; /***********/ b_fcus->ql[0] = l1; b_fcus->ql[1] = l2; b_fcus->ql[2] = l3; b_fcus->diff_lk = lk1 - MAX(lk2,lk3); if(lk2 > lk3) b_fcus->best_conf = 2; else b_fcus->best_conf = 3; if((do_swap) && ((lk2 > lk1+MDBL_MIN) || (lk3 > lk1+MDBL_MIN))) { tree->n_swap++; printf("Swap edge %d -> %f\n",b_fcus->num,MAX(lk2,lk3)); fflush(stdout); if(lk2 > lk3) { tree->best_loglk = lk2; Swap(v2,b_fcus->left,b_fcus->rght,v3,tree); b_fcus->l = l2; tree->both_sides = 1; Lk(tree,tree->data); } else { tree->best_loglk = lk3; Swap(v2,b_fcus->left,b_fcus->rght,v4,tree); b_fcus->l = l3; tree->both_sides = 1; Lk(tree,tree->data); } } else { b_fcus->l = bl_init; Update_PMat_At_Given_Edge(b_fcus,tree); tree->tot_loglk = lk_init; } } /*********************************************************/ void Swap(node *a, node *b, node *c, node *d, arbre *tree) { int ab, ba, cd, dc; int i; /* \ /d \ /a \ / \ / \b__...__c/ -> \b__...__c/ / \ / \ / \ / \ /a \ /d \ */ ab = ba = cd = dc = -1; For(i,3) if(a->v[i] == b) { ab = i; break; } For(i,3) if(b->v[i] == a) { ba = i; break; } For(i,3) if(c->v[i] == d) { cd = i; break; } For(i,3) if(d->v[i] == c) { dc = i; break; } a->v[ab] = c; d->v[dc] = b; b->v[ba] = d; c->v[cd] = a; b->b[ba] = d->b[dc]; c->b[cd] = a->b[ab]; (a->b[ab]->left == b)? (a->b[ab]->left = c): (a->b[ab]->rght = c); (d->b[dc]->left == c)? (d->b[dc]->left = b): (d->b[dc]->rght = b); For(i,3) { if(a->b[ab]->left->v[i] == a->b[ab]->rght) a->b[ab]->l_r = i; if(a->b[ab]->rght->v[i] == a->b[ab]->left) a->b[ab]->r_l = i; if(d->b[dc]->left->v[i] == d->b[dc]->rght) d->b[dc]->l_r = i; if(d->b[dc]->rght->v[i] == d->b[dc]->left) d->b[dc]->r_l = i; } a->b[ab]->l_v1 = a->b[ab]->l_v2 = a->b[ab]->r_v1 = a->b[ab]->r_v2 = d->b[dc]->l_v1 = d->b[dc]->l_v2 = d->b[dc]->r_v1 = d->b[dc]->r_v2 = -1; For(i,3) { if(i != a->b[ab]->l_r) { if(a->b[ab]->l_v1 < 0) a->b[ab]->l_v1 = i; else a->b[ab]->l_v2 = i; } if(i != a->b[ab]->r_l) { if(a->b[ab]->r_v1 < 0) a->b[ab]->r_v1 = i; else a->b[ab]->r_v2 = i; } if(i != d->b[dc]->l_r) { if(d->b[dc]->l_v1 < 0) d->b[dc]->l_v1 = i; else d->b[dc]->l_v2 = i; } if(i != d->b[dc]->r_l) { if(d->b[dc]->r_v1 < 0) d->b[dc]->r_v1 = i; else d->b[dc]->r_v2 = i; } } } /*********************************************************/ void Update_All_Partial_Lk(edge *b_fcus, arbre *tree) { Update_SubTree_Partial_Lk(b_fcus->left->b[b_fcus->l_v1], b_fcus->left, b_fcus->left->v[b_fcus->l_v1], tree); Update_SubTree_Partial_Lk(b_fcus->left->b[b_fcus->l_v2], b_fcus->left, b_fcus->left->v[b_fcus->l_v2], tree); Update_SubTree_Partial_Lk(b_fcus->rght->b[b_fcus->r_v1], b_fcus->rght, b_fcus->rght->v[b_fcus->r_v1], tree); Update_SubTree_Partial_Lk(b_fcus->rght->b[b_fcus->r_v2], b_fcus->rght, b_fcus->rght->v[b_fcus->r_v2], tree); tree->tot_loglk = Lk_At_Given_Edge(tree,b_fcus); } /*********************************************************/ void Update_SubTree_Partial_Lk(edge *b_fcus, node *a, node *d, arbre *tree) { int i; Update_P_Lk(tree,b_fcus,a); if(d->tax) return; else For(i,3) if(d->v[i] != a) Update_SubTree_Partial_Lk(d->b[i],d,d->v[i],tree); } /*********************************************************/ double Update_Lk_At_Given_Edge(edge *b_fcus, arbre *tree) { /* if(b_fcus->l < BL_MIN) b_fcus->l = BL_MIN; */ /* For(i,tree->mod->n_catg) */ /* { */ /* PMat(b_fcus->l*tree->mod->rr[i], */ /* tree->mod, */ /* &b_fcus->Pij_rr[i]); */ /* } */ /* Updating partial likelihood after branch swapping */ Update_P_Lk(tree,b_fcus,b_fcus->left); Update_P_Lk(tree,b_fcus,b_fcus->rght); tree->tot_loglk = Lk_At_Given_Edge(tree,b_fcus); return tree->tot_loglk; } /*********************************************************/ void Update_PMat_At_Given_Edge(edge *b_fcus, arbre *tree) { int i; double len; len = -1.0; For(i,tree->mod->n_catg) { len = b_fcus->l*tree->mod->rr[i]; if(len < BL_MIN) len = BL_MIN; PMat(len,tree->mod,&b_fcus->Pij_rr[i]); } } /*********************************************************/ allseq *Make_Seq(int n_otu, int len, char **sp_names) { allseq *alldata; int j; alldata = (allseq *)mCalloc(1,sizeof(allseq)); alldata->n_otu = n_otu; alldata->c_seq = (seq **)mCalloc(n_otu,sizeof(seq *)); alldata->wght = (double *)mCalloc(len,sizeof(double)); alldata->b_frq = (double *)mCalloc(T_MAX_ALPHABET,sizeof(double)); alldata->ambigu = (int *)mCalloc(len,sizeof(int)); alldata->sitepatt = (int *)mCalloc(len,sizeof(int )); alldata->invar = (int *)mCalloc(len,sizeof(int)); alldata->crunch_len = alldata->init_len = -1; For(j,n_otu) { alldata->c_seq[j] = (seq *)mCalloc(1,sizeof(seq)); alldata->c_seq[j]->name = (char *)mCalloc(T_MAX_NAME,sizeof(char)); strcpy(alldata->c_seq[j]->name,sp_names[j]); alldata->c_seq[j]->state = (char *)mCalloc(len+1,sizeof(char)); } return alldata; } /*********************************************************/ allseq *Copy_CData(allseq *ori, model *mod) { allseq *new; int i,j,n_otu; char **sp_names; n_otu = ori->n_otu; sp_names = (char **)mCalloc(n_otu,sizeof(char *)); For(i,n_otu) { sp_names[i] = (char *)mCalloc(T_MAX_NAME,sizeof(char)); strcpy(sp_names[i],ori->c_seq[i]->name); } new = Make_Seq(n_otu,ori->init_len,sp_names); For(i,n_otu) Free(sp_names[i]); Free(sp_names); For(i,ori->init_len) new->sitepatt[i] = ori->sitepatt[i]; For(j,ori->crunch_len) { For(i,ori->n_otu) new->c_seq[i]->state[j] = ori->c_seq[i]->state[j]; new->wght[j] = ori->wght[j]; new->ambigu[j] = ori->ambigu[j]; new->invar[j] = ori->invar[j]; } For(i,ori->n_otu) { new->c_seq[i]->len = ori->c_seq[i]->len; strcpy(new->c_seq[i]->name,ori->c_seq[i]->name); } new->init_len = ori->init_len; new->clean_len = ori->clean_len; new->crunch_len = ori->crunch_len; For(i,mod->ns) new->b_frq[i] = ori->b_frq[i]; new->n_otu = ori->n_otu; return new; } /*********************************************************/ optimiz *Alloc_Optimiz() { optimiz *s_opt; s_opt = (optimiz *)mCalloc(1,sizeof(optimiz)); return s_opt; } /*********************************************************/ void Init_Optimiz(optimiz *s_opt) { s_opt->print = 1; s_opt->last_opt = 1; s_opt->opt_alpha = 0; s_opt->opt_kappa = 0; s_opt->opt_bl = 0; s_opt->opt_pinvar = 0; s_opt->init_lk = UNLIKELY; s_opt->n_it_max = 1000; } /*********************************************************/ int Filexists(char *filename) { FILE *fp; fp =fopen(filename,"r"); if (fp) { fclose(fp); return 1; } else return 0; } /*********************************************************/ FILE *Openfile(char *filename, int mode) { /* mode = 0 -> read */ /* mode = 1 -> write */ /* mode = 2 -> append */ FILE *fp; char *s; int open_test=0; /* s = (char *)mCalloc(T_MAX_FILE,sizeof(char)); */ /* strcpy(s,filename); */ s = filename; fp = NULL; switch(mode) { case 0 : { while(!(fp = (FILE *)fopen(s,"r")) && ++open_test<10) { printf("\nCan't open file %s, enter a new name : ",s); Getstring_Stdin(s); fflush(stdout); } break; } case 1 : { fp = (FILE *)fopen(s,"w"); break; } case 2 : { fp = (FILE *)fopen(s,"a"); break; } default : break; } /* Free(s); */ return fp; } /*********************************************************/ void Print_Fp_Out(FILE *fp_out, time_t t_beg, time_t t_end, arbre *tree, option *input, int n_data_set) { char *s; div_t hour,min; fprintf(fp_out,". Sequence file : [%s]\n\n", input->seqfile); /* fprintf(fp_out,". Data set [#%d]\n",n_data_set); FLT*/ (tree->mod->datatype == NT)? (fprintf(fp_out,". Model of nucleotides substitution : %s\n\n",input->modelname)): (fprintf(fp_out,". Model of amino acids substitution : %s\n\n",input->modelname)); /*was after Sequence file ; moved here FLT*/ s = (char *)mCalloc(T_MAX_LINE,sizeof(char)); fprintf(fp_out,". Initial tree : [%s]\n\n", (!input->inputtree)?("BIONJ"): (strcat(strcat(strcat(s,"user tree ("),input->inputtreefile),")"))); Free(s); fprintf(fp_out,". Number of taxa : %d\n\n",tree->n_otu);/*added FLT*/ fprintf(fp_out,"\n"); fprintf(fp_out,". Likelihood : loglk = %.5f\n\n",tree->tot_loglk);/*was last ; moved here FLT*/ fprintf(fp_out,". Discrete gamma model : %s\n", (tree->mod->n_catg>1)?("Yes"):("No\n")); if(tree->mod->n_catg > 1) { fprintf(fp_out," - Number of categories : %d\n",tree->mod->n_catg); fprintf(fp_out," - Gamma shape parameter : %.3f\n\n",tree->mod->alpha); } if(tree->mod->invar) fprintf(fp_out,". Proportion of invariant : %.3f\n\n",tree->mod->pinvar); /*was before Discrete gamma model ; moved here FLT*/ if(tree->mod->whichmodel <= 5) { fprintf(fp_out,". Transition/transversion ratio : %.3f\n\n",tree->mod->kappa); } else if(tree->mod->whichmodel == 6) { fprintf(fp_out,". Transition/transversion ratio for purines : %.3f\n", tree->mod->kappa*2.*tree->mod->lambda/(1.+tree->mod->lambda)); fprintf(fp_out,". Transition/transversion ratio for pyrimidines : %.3f\n\n", tree->mod->kappa*2./(1.+tree->mod->lambda)); } if(tree->mod->datatype == NT) { fprintf(fp_out,". Nucleotides frequencies :\n\n"); fprintf(fp_out," - f(A)=%8.5f\n",tree->mod->pi[0]); fprintf(fp_out," - f(C)=%8.5f\n",tree->mod->pi[1]); fprintf(fp_out," - f(G)=%8.5f\n",tree->mod->pi[2]); fprintf(fp_out," - f(T)=%8.5f\n\n",tree->mod->pi[3]); } /*****************************************/ if((tree->mod->whichmodel == 7) || (tree->mod->whichmodel == 8)) { int i,j; printf("\n"); fprintf(fp_out,". GTR relative rate parameters : \n\n"); fprintf(fp_out,"A <-> C %8.5f\n",*(tree->mod->rr_param[0])); fprintf(fp_out,"A <-> G %8.5f\n",*(tree->mod->rr_param[1])); fprintf(fp_out,"A <-> T %8.5f\n",*(tree->mod->rr_param[2])); fprintf(fp_out,"C <-> G %8.5f\n",*(tree->mod->rr_param[3])); fprintf(fp_out,"C <-> T %8.5f\n",*(tree->mod->rr_param[4])); fprintf(fp_out,"G <-> T 1.0 (fixed)\n\n"); fprintf(fp_out,"\n. Instantaneous rate matrix : \n"); fprintf(fp_out,"\n[A---------C---------G---------T------]\n"); For(i,4) { For(j,4) fprintf(fp_out,"%8.5f ",tree->mod->mat_Q[i*4+j]); fprintf(fp_out,"\n"); } fprintf(fp_out,"\n"); fprintf(fp_out,"eg., the instantaneous rate of change from 'C' to 'A' is %8.5f x %8.5f = %8.5f\n\n", tree->mod->pi[0], *(tree->mod->rr_param[0]), tree->mod->mat_Q[1*4+0]); } /*****************************************/ hour = div(t_end-t_beg,3600); min = div(t_end-t_beg,60 ); min.quot -= hour.quot*60; fprintf(fp_out,". Time used %dh%dm%ds\n", hour.quot,min.quot,(int)(t_end-t_beg)%60); if(t_end-t_beg > 60) fprintf(fp_out,". -> %d seconds\n",(int)(t_end-t_beg)); fprintf(fp_out,"\n%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n\n"); fflush(fp_out); } /*********************************************************/ /*FLT wrote this function*/ void Print_Fp_Out_Lines(FILE *fp_out, time_t t_beg, time_t t_end, arbre *tree, option *input, int n_data_set) { char *s; /*div_t hour,min;*/ if (n_data_set==1) { fprintf(fp_out,". Sequence file : [%s]\n\n", input->seqfile); (tree->mod->datatype == NT)? (fprintf(fp_out,". Model of nucleotides substitution : %s\n\n",input->modelname)): (fprintf(fp_out,". Model of amino acids substitution : %s\n\n",input->modelname)); s = (char *)mCalloc(T_MAX_LINE,sizeof(char)); fprintf(fp_out,". Initial tree : [%s]\n\n", (!input->inputtree)?("BIONJ"): (strcat(strcat(strcat(s,"user tree ("),input->inputtreefile),")"))); Free(s); fprintf(fp_out,"\n"); /*headline 1*/ fprintf(fp_out, ". Data\t"); fprintf(fp_out,"Nb of \t"); fprintf(fp_out,"Likelihood\t"); fprintf(fp_out, "Discrete \t"); if(tree->mod->n_catg > 1) fprintf(fp_out, "Number of \tGamma shape\t"); fprintf(fp_out,"Proportion of\t"); if(tree->mod->whichmodel <= 6) fprintf(fp_out,"Transition/ \t"); fprintf(fp_out,"Nucleotides frequencies \t"); if(tree->mod->whichmodel == 7) fprintf(fp_out,"Instantaneous rate matrix \t"); /* fprintf(fp_out,"Time\t");*/ fprintf(fp_out, "\n"); /*headline 2*/ fprintf(fp_out, " set\t"); fprintf(fp_out,"taxa\t"); fprintf(fp_out,"loglk \t"); fprintf(fp_out, "gamma model\t"); if(tree->mod->n_catg > 1) fprintf(fp_out, "categories\tparameter \t"); fprintf(fp_out,"invariant \t"); if(tree->mod->whichmodel <= 6) fprintf(fp_out,"transversion\t"); fprintf(fp_out,"f(A) f(C) f(G) f(T) \t"); if(tree->mod->whichmodel == 7) fprintf(fp_out,"[A---------C---------G---------T------]\t"); /* fprintf(fp_out,"used\t");*/ fprintf(fp_out, "\n"); /*headline 3*/ if(tree->mod->whichmodel == 6) { fprintf(fp_out," \t \t \t \t"); if(tree->mod->n_catg > 1) fprintf(fp_out," \t \t"); fprintf(fp_out," \t"); fprintf(fp_out,"purines pyrimid.\t"); fprintf(fp_out, "\n"); } fprintf(fp_out, "\n"); } /*line items*/ fprintf(fp_out," #%d\t",n_data_set); fprintf(fp_out,"%d \t",tree->n_otu); fprintf(fp_out,"%.5f\t",tree->tot_loglk); fprintf(fp_out,"%s \t", (tree->mod->n_catg>1)?("Yes"):("No ")); if(tree->mod->n_catg > 1) { fprintf(fp_out,"%d \t",tree->mod->n_catg); fprintf(fp_out,"%.3f \t",tree->mod->alpha); } /*if(tree->mod->invar)*/ fprintf(fp_out,"%.3f \t",tree->mod->pinvar); if(tree->mod->whichmodel <= 5) { fprintf(fp_out,"%.3f \t",tree->mod->kappa); } else if(tree->mod->whichmodel == 6) { fprintf(fp_out,"%.3f ", tree->mod->kappa*2.*tree->mod->lambda/(1.+tree->mod->lambda)); fprintf(fp_out,"%.3f\t", tree->mod->kappa*2./(1.+tree->mod->lambda)); } if(tree->mod->datatype == NT) { fprintf(fp_out,"%8.5f ",tree->mod->pi[0]); fprintf(fp_out,"%8.5f ",tree->mod->pi[1]); fprintf(fp_out,"%8.5f ",tree->mod->pi[2]); fprintf(fp_out,"%8.5f\t",tree->mod->pi[3]); } /* hour = div(t_end-t_beg,3600); min = div(t_end-t_beg,60 ); min.quot -= hour.quot*60; fprintf(fp_out,"%dh%dm%ds\t", hour.quot,min.quot,(int)(t_end-t_beg)%60); if(t_end-t_beg > 60) fprintf(fp_out,". -> %d seconds\t",(int)(t_end-t_beg)); */ /*****************************************/ if((tree->mod->whichmodel == 7) || (tree->mod->whichmodel == 8)) { int i,j; For(i,4) { if (i!=0) { /*format*/ fprintf(fp_out," \t \t \t \t"); if(tree->mod->n_catg > 1) fprintf(fp_out," \t \t"); fprintf(fp_out," \t \t"); } For(j,4) fprintf(fp_out,"%8.5f ",tree->mod->mat_Q[i*4+j]); if (i<3) fprintf(fp_out,"\n"); } } /*****************************************/ fprintf(fp_out, "\n\n"); fflush(fp_out); } /*********************************************************/ void Alloc_All_P_Lk(arbre *tree) { int i,j,k; int nbytes; nbytes = 0; For(i,2*tree->n_otu-3) { tree->t_edges[i]->get_p_lk_left = 1; tree->t_edges[i]->get_p_lk_rght = 1; tree->t_edges[i]->p_lk_left = (double ***)mCalloc(tree->data->crunch_len,sizeof(double **)); nbytes += tree->data->crunch_len * sizeof(double **); tree->t_edges[i]->p_lk_rght = (double ***)mCalloc(tree->data->crunch_len,sizeof(double **)); nbytes += tree->data->clean_len * sizeof(double **); For(j,tree->data->crunch_len) { tree->t_edges[i]->p_lk_left[j] = (double **)mCalloc(tree->mod->n_catg,sizeof(double *)); nbytes += tree->mod->n_catg * sizeof(double *); For(k,tree->mod->n_catg) { tree->t_edges[i]->p_lk_left[j][k] = (double *)mCalloc(tree->mod->ns,sizeof(double )); nbytes += tree->mod->ns * sizeof(double); } tree->t_edges[i]->p_lk_rght[j] = (double **)mCalloc(tree->mod->n_catg,sizeof(double *)); nbytes += tree->mod->n_catg * sizeof(double *); For(k,tree->mod->n_catg) { tree->t_edges[i]->p_lk_rght[j][k] = (double *)mCalloc(tree->mod->ns,sizeof(double )); nbytes += tree->mod->ns * sizeof(double); } } tree->t_edges[i]->sum_scale_f_left = (double *)mCalloc(tree->data->crunch_len,sizeof(double )); tree->t_edges[i]->sum_scale_f_rght = (double *)mCalloc(tree->data->crunch_len,sizeof(double )); } printf("NBYTES = %d\n",nbytes); } /*********************************************************/ matrix *K2P_dist(allseq *data, double g_shape) { int i,j,k; int diff; double unc_len; matrix *mat; double **len; len = (double **)mCalloc(data->n_otu,sizeof(double *)); For(i,data->n_otu) len[i] = (double *)mCalloc(data->n_otu,sizeof(double)); unc_len = .0; mat = Make_Mat(data->n_otu); Init_Mat(mat,data); For(i,data->c_seq[0]->len) { For(j,data->n_otu-1) { for(k=j+1;kn_otu;k++) { if(((data->c_seq[j]->state[i] == 'A' || data->c_seq[j]->state[i] == 'G') && (data->c_seq[k]->state[i] == 'C' || data->c_seq[k]->state[i] == 'T'))|| ((data->c_seq[j]->state[i] == 'C' || data->c_seq[j]->state[i] == 'T') && (data->c_seq[k]->state[i] == 'A' || data->c_seq[k]->state[i] == 'G'))) { diff++; mat->Q[j][k]+=data->wght[i]; len[j][k]+=data->wght[i]; len[k][j]=len[j][k]; } else if(((data->c_seq[j]->state[i] == 'A' && data->c_seq[k]->state[i] == 'G') || (data->c_seq[j]->state[i] == 'G' && data->c_seq[k]->state[i] == 'A'))|| ((data->c_seq[j]->state[i] == 'C' && data->c_seq[k]->state[i] == 'T') || (data->c_seq[j]->state[i] == 'T' && data->c_seq[k]->state[i] == 'C'))) { diff++; mat->P[j][k]+=data->wght[i]; len[j][k]+=data->wght[i]; len[k][j]=len[j][k]; } else if((data->c_seq[j]->state[i] == 'A' || data->c_seq[j]->state[i] == 'C' || data->c_seq[j]->state[i] == 'G' || data->c_seq[j]->state[i] == 'T')&& (data->c_seq[k]->state[i] == 'A' || data->c_seq[k]->state[i] == 'C' || data->c_seq[k]->state[i] == 'G' || data->c_seq[k]->state[i] == 'T')) { len[j][k]+=data->wght[i]; len[k][j]=len[j][k]; } } } } For(i,data->n_otu-1) for(j=i+1;jn_otu;j++) { if(len[i][j]) { mat->P[i][j] /= len[i][j]; mat->Q[i][j] /= len[i][j]; } else { mat->P[i][j] = .5; mat->Q[i][j] = .5; } mat->P[j][i] = mat->P[i][j]; mat->Q[j][i] = mat->Q[i][j]; if((1-2*mat->P[i][j]-mat->Q[i][j] <= .0) || (1-2*mat->Q[i][j] <= .0)) { mat->dist[i][j] = -1.; mat->dist[j][i] = -1.; continue; } mat->dist[i][j] = (g_shape/2)* (pow(1-2*mat->P[i][j]-mat->Q[i][j],-1./g_shape) + 0.5*pow(1-2*mat->Q[i][j],-1./g_shape) - 1.5); if(mat->dist[i][j] > DIST_MAX) { mat->dist[i][j] = DIST_MAX; } mat->dist[j][i] = mat->dist[i][j]; } For(i,data->n_otu) free(len[i]); free(len); return mat; } /*********************************************************/ matrix *JC69_Dist(allseq *data, model *mod) { int site,i,j,k; double unc_len; matrix *mat; double **len; len = (double **)mCalloc(data->n_otu,sizeof(double *)); For(i,data->n_otu) len[i] = (double *)mCalloc(data->n_otu,sizeof(double)); unc_len = .0; mat = Make_Mat(data->n_otu); Init_Mat(mat,data); Fors(site,data->c_seq[0]->len,mod->stepsize) { For(j,data->n_otu-1) { for(k=j+1;kn_otu;k++) { if((!Is_Ambigu(data->c_seq[j]->state+site,mod->datatype,mod->stepsize)) && (!Is_Ambigu(data->c_seq[k]->state+site,mod->datatype,mod->stepsize))) { len[j][k]+=data->wght[site]; len[k][j]=len[j][k]; if(/*!Compare_Two_States*/strncmp(data->c_seq[j]->state+site, data->c_seq[k]->state+site, mod->stepsize)) mat->P[j][k]+=data->wght[site]; } } } } For(i,data->n_otu-1) for(j=i+1;jn_otu;j++) { if(len[i][j]) { mat->P[i][j] /= len[i][j]; } else { mat->P[i][j] = 1.; } mat->P[j][i] = mat->P[i][j]; if((1.-(mod->ns)/(mod->ns-1.)*mat->P[i][j]) < .0) { mat->dist[i][j] = DIST_MAX; } else mat->dist[i][j] = -(mod->ns-1.)/(mod->ns)*log(1.-(mod->ns)/(mod->ns-1.)*mat->P[i][j]); if(mat->dist[i][j] > DIST_MAX) { mat->dist[i][j] = DIST_MAX; } mat->dist[j][i] = mat->dist[i][j]; } For(i,data->n_otu) free(len[i]); free(len); return mat; } /*********************************************************/ matrix *Hamming_Dist(allseq *data, model *mod) { int i,j,k; double unc_len; matrix *mat; double **len; len = (double **)mCalloc(data->n_otu,sizeof(double *)); For(i,data->n_otu) len[i] = (double *)mCalloc(data->n_otu,sizeof(double)); unc_len = .0; mat = Make_Mat(data->n_otu); Init_Mat(mat,data); For(i,data->c_seq[0]->len) { For(j,data->n_otu-1) { for(k=j+1;kn_otu;k++) { if((!Is_Ambigu(data->c_seq[j]->state+i,mod->datatype,mod->stepsize)) && (!Is_Ambigu(data->c_seq[k]->state+i,mod->datatype,mod->stepsize))) { len[j][k]+=data->wght[i]; len[k][j]=len[j][k]; if(data->c_seq[j]->state[i] != data->c_seq[k]->state[i]) mat->P[j][k]+=data->wght[i]; } } } } For(i,data->n_otu-1) for(j=i+1;jn_otu;j++) { if(len[i][j]) { mat->P[i][j] /= len[i][j]; } else { mat->P[i][j] = 1.; } mat->P[j][i] = mat->P[i][j]; mat->dist[i][j] = mat->P[i][j]; if(mat->dist[i][j] > DIST_MAX) { mat->dist[i][j] = DIST_MAX; } mat->dist[j][i] = mat->dist[i][j]; } For(i,data->n_otu) free(len[i]); free(len); return mat; } /*********************************************************/ int Is_Ambigu(char *state, int datatype, int stepsize) { int i; if(datatype == NT) { For(i,stepsize) { if(strchr("MRWSYKBDHVNXO?-.",state[i])) return 1; } } else { if(strchr("X?-.",state[0])) return 1; } return 0; } /*********************************************************/ void Check_Ambiguities(allseq *data, int datatype, int stepsize) { int i,j; Fors(j,data->crunch_len,stepsize) For(i,data->n_otu) { if(Is_Ambigu(data->c_seq[i]->state+j, datatype, stepsize)) { data->ambigu[j] = 1; break; } } } /*********************************************************/ int Assign_State(char *c, int datatype, int stepsize) { int state[3]; int i; state[0] = -1; if(datatype == NT) { For(i,stepsize) { switch(c[i]) { case 'A' : state[i]=0; break; case 'C' : state[i]=1; break; case 'G' : state[i]=2; break; case 'T' : state[i]=3; break; case 'U' : state[i]=3; break; default : state[i]=-1; break; } } return (stepsize>1)?(state[0]*16+state[1]*4+state[2]):(state[0]); } else { switch(c[0]){ case 'A' : state[0]=0; break; case 'R' : state[0]=1; break; case 'N' : state[0]=2; break; case 'D' : state[0]=3; break; case 'C' : state[0]=4; break; case 'Q' : state[0]=5; break; case 'E' : state[0]=6; break; case 'G' : state[0]=7; break; case 'H' : state[0]=8; break; case 'I' : state[0]=9; break; case 'L' : state[0]=10; break; case 'K' : state[0]=11; break; case 'M' : state[0]=12; break; case 'F' : state[0]=13; break; case 'P' : state[0]=14; break; case 'S' : state[0]=15; break; case 'T' : state[0]=16; break; case 'W' : state[0]=17; break; case 'Y' : state[0]=18; break; case 'V' : state[0]=19; break; case 'B' : state[0] = 2; break; case 'Z' : state[0] = 5; break; default : state[0]=-1; break; } return state[0]; } return -1; } /*********************************************************/ void Bootstrap(arbre *tree) { int *site_num, n_site; int replicate,j,k; int position,init_len; double buff; allseq *boot_data; arbre *boot_tree; model *boot_mod; matrix *boot_mat; char *s; /* double rf; */ tree->mod->s_opt->last_opt = 0; tree->print_boot_val = 1; Alloc_Bip(tree); Get_Bip(tree->noeud[0], tree->noeud[0]->v[0], tree); site_num = (int *)mCalloc(tree->data->init_len,sizeof(int)); n_site = 0; For(j,tree->data->crunch_len) For(k,tree->data->wght[j]) { site_num[n_site] = j; n_site++; } boot_data = Copy_CData(tree->data,tree->mod); boot_tree = NULL; printf("\n\n. Non parametric bootstrap analysis \n\n"); printf(" ["); fflush(NULL); For(replicate,tree->mod->bootstrap) { For(j,boot_data->crunch_len) boot_data->wght[j] = .0; init_len = 0; For(j,boot_data->init_len) { buff = rand(); buff /= (RAND_MAX+1.); buff *= tree->data->init_len; position = (int)floor(buff); boot_data->wght[site_num[position]] += 1.; init_len++; } if(init_len != tree->data->init_len) Exit("\n. Pb in copying sequences\n"); (!tree->mod->datatype)? (Get_Base_Freqs(boot_data)): (Get_AA_Freqs(boot_data)); boot_mod = Copy_Model(tree->mod); Init_Model(boot_data,boot_mod); if(tree->input->inputtree) { rewind(tree->input->fp_input_tree); boot_tree = Read_Tree_File(tree->input->fp_input_tree); } else { boot_mat = ML_Dist(boot_data,boot_mod); boot_mat->tree = Make_Tree(boot_data); Bionj(boot_mat); boot_tree = boot_mat->tree; Free_Mat(boot_mat); } boot_tree->mod = boot_mod; boot_tree->input = tree->input; boot_tree->data = boot_data; boot_tree->both_sides = 1; boot_tree->n_pattern = boot_tree->data->crunch_len/ boot_tree->mod->stepsize; boot_tree->mod->s_opt->print = 0; Order_Tree_CSeq(boot_tree,boot_data); Share_Lk_Struct(tree,boot_tree); Init_P_Lk_Tips(boot_tree); if(boot_tree->mod->s_opt->opt_topo) Simu(boot_tree,1000); else { if(boot_tree->mod->s_opt->opt_free_param) Round_Optimize(boot_tree,boot_tree->data); else Lk(boot_tree,boot_data); } Alloc_Bip(boot_tree); Get_Bip(boot_tree->noeud[0], boot_tree->noeud[0]->v[0], boot_tree); Compare_Bip(tree,boot_tree); if(tree->input->print_boot_trees) { s = Write_Tree(boot_tree); fprintf(tree->input->fp_boot_tree,"%s\n",s); Free(s); Print_Fp_Out_Lines(tree->input->fp_boot_stats,0,0,boot_tree,tree->input,replicate+1); } /* rf = .0; */ /* For(j,2*tree->n_otu-3) */ /* rf += tree->t_edges[j]->bip_score; */ printf("."); if(!((replicate+1)%10)) { printf("] %d/%d\n ",replicate+1,tree->mod->bootstrap); if(replicate != tree->mod->bootstrap-1) printf("["); } fflush(NULL); Free_Tree(boot_tree); Free_Model(boot_mod); } if(((replicate)%10)) printf("] %d/%d\n ",replicate,tree->mod->bootstrap); if(tree->input->print_boot_trees) { fclose(tree->input->fp_boot_tree); fclose(tree->input->fp_boot_stats); } Free_Cseq(boot_data); Free(site_num); } /*********************************************************/ void Update_BrLen_Invar(arbre *tree) { int i; For(i,2*tree->n_otu-3) tree->t_edges[i]->l*=(1.0-tree->mod->pinvar); } /*********************************************************/ void Getstring_Stdin(char *file_name) { fgets(file_name,T_MAX_LINE,stdin); if (strchr(file_name, '\n') != NULL) *strchr(file_name, '\n') = '\0'; } /*********************************************************/ void Print_Freq(arbre *tree) { switch(tree->mod->datatype) { case NT: { printf("A : %f\n",tree->mod->pi[0]); printf("C : %f\n",tree->mod->pi[1]); printf("G : %f\n",tree->mod->pi[2]); printf("T : %f\n",tree->mod->pi[3]); printf("U : %f\n",tree->mod->pi[4]); printf("M : %f\n",tree->mod->pi[5]); printf("R : %f\n",tree->mod->pi[6]); printf("W : %f\n",tree->mod->pi[7]); printf("S : %f\n",tree->mod->pi[8]); printf("Y : %f\n",tree->mod->pi[9]); printf("K : %f\n",tree->mod->pi[10]); printf("B : %f\n",tree->mod->pi[11]); printf("D : %f\n",tree->mod->pi[12]); printf("H : %f\n",tree->mod->pi[13]); printf("V : %f\n",tree->mod->pi[14]); printf("N : %f\n",tree->mod->pi[15]); break; } case AA: { printf("A : %f\n",tree->mod->pi[0]); printf("R : %f\n",tree->mod->pi[1]); printf("N : %f\n",tree->mod->pi[2]); printf("D : %f\n",tree->mod->pi[3]); printf("C : %f\n",tree->mod->pi[4]); printf("Q : %f\n",tree->mod->pi[5]); printf("E : %f\n",tree->mod->pi[6]); printf("G : %f\n",tree->mod->pi[7]); printf("H : %f\n",tree->mod->pi[8]); printf("I : %f\n",tree->mod->pi[9]); printf("L : %f\n",tree->mod->pi[10]); printf("K : %f\n",tree->mod->pi[11]); printf("M : %f\n",tree->mod->pi[12]); printf("F : %f\n",tree->mod->pi[13]); printf("P : %f\n",tree->mod->pi[14]); printf("S : %f\n",tree->mod->pi[15]); printf("T : %f\n",tree->mod->pi[16]); printf("W : %f\n",tree->mod->pi[17]); printf("Y : %f\n",tree->mod->pi[18]); printf("V : %f\n",tree->mod->pi[19]); printf("N : %f\n",tree->mod->pi[20]); break; } default : {break;} } } /*********************************************************/ double Num_Derivatives_One_Param(double (*func)(arbre *tree), arbre *tree, double f0, double *param, double stepsize, double *err, int precise) { int i,j; double errt,fac,hh,**a,ans; int n_iter; a = (double **)mCalloc(11,sizeof(double *)); For(i,11) a[i] = (double *)mCalloc(11,sizeof(double)); n_iter = 10; /* */ ans = .0; if (stepsize == 0.0) Exit("\n. h must be nonzero in Dfridr."); hh=stepsize; if(!precise) { *param = *param+hh; a[0][0] = (*func)(tree); a[0][0] -= f0; a[0][0] /= hh; *param = *param-hh; ans = a[0][0]; } else { *param = *param+hh; a[0][0] = (*func)(tree); /* *param = *param-2*hh; */ /* a[0][0] -= (*func)(tree); */ /* a[0][0] /= (2.0*hh); */ /* *param = *param+hh; */ a[0][0] -= f0; a[0][0] /= hh; *param = *param-hh; *err=1e30; for(i=1;i= 2.0*(*err)) break; } } For(i,11) Free(a[i]); Free(a); return ans; } /*********************************************************/ void Num_Derivative_Several_Param(arbre *tree, double *param, int n_param, double stepsize, double (*func)(arbre *tree), double *derivatives) { int i; double err,f0; f0 = (*func)(tree); For(i,n_param) { derivatives[i] = Num_Derivatives_One_Param(func, tree, f0, param+i, stepsize, &err, 0 ); } } /*********************************************************/ int Compare_Two_States(char *state1, char *state2, int state_size) { /* 1 the two states are identical */ /* 0 the two states are different */ int i; For(i,state_size) if(state1[i] != state2[i]) break; return (i==state_size)?(1):(0); } /*********************************************************/ void Copy_One_State(char *from, char *to, int state_size) { int i; For(i,state_size) to[i] = from[i]; } /*********************************************************/ model *Make_Model_Basic() { model *mod; int i; mod = (model *)mCalloc(1,sizeof(model)); mod->custom_mod_string = (char *)mCalloc(T_MAX_LINE,sizeof(char)); mod->user_b_freq = (double *)mCalloc(100,sizeof(double)); mod->rr_param = (double **)mCalloc(6,sizeof(double *)); mod->rr_param_values = (double *)mCalloc(6,sizeof(double)); mod->rr_param_num = (int **)mCalloc(6,sizeof(int *)); mod->n_rr_param_per_cat = (int *)mCalloc(6,sizeof(int)); mod->s_opt = (optimiz *)Alloc_Optimiz(); For(i,6) mod->rr_param_num[i] = (int *)mCalloc(6,sizeof(int)); return mod; } /*********************************************************/ void Make_Model_Complete(model *mod) { int i,j; mod->pi = (double *)mCalloc(mod->ns,sizeof(double)); mod->r_proba = (double *)mCalloc(mod->n_catg,sizeof(double)); mod->rr = (double *)mCalloc(mod->n_catg,sizeof(double)); mod->Pij_rr = (double ***)mCalloc(mod->n_catg,sizeof(double **)); mod->dPij_rr = (double ***)mCalloc(mod->n_catg,sizeof(double **)); mod->d2Pij_rr = (double ***)mCalloc(mod->n_catg,sizeof(double **)); For(i,mod->n_catg) { mod->Pij_rr[i] = (double **)mCalloc(mod->ns,sizeof(double *)); mod->dPij_rr[i] = (double **)mCalloc(mod->ns,sizeof(double *)); mod->d2Pij_rr[i] = (double **)mCalloc(mod->ns,sizeof(double *)); For(j,mod->ns) { mod->Pij_rr[i][j] = (double *)mCalloc(mod->ns,sizeof(double)); mod->dPij_rr[i][j] = (double *)mCalloc(mod->ns,sizeof(double)); mod->d2Pij_rr[i][j] = (double *)mCalloc(mod->ns,sizeof(double)); } } mod->mat_Q = (double *)mCalloc(mod->ns*mod->ns,sizeof(double)); mod->mat_Vr = (double *)mCalloc(mod->ns*mod->ns,sizeof(double)); mod->mat_Vi = (double *)mCalloc(mod->ns*mod->ns,sizeof(double)); mod->vct_eDmr = (double *)mCalloc(mod->ns ,sizeof(double)); mod->vct_ev = (double *)mCalloc(mod->ns ,sizeof(double)); } /*********************************************************/ model *Copy_Model(model *ori) { int i,j; model *cpy; cpy = Make_Model_Basic(); Copy_Optimiz(ori->s_opt,cpy->s_opt); /* cpy->c_code = ori->c_code; */ cpy->ns = ori->ns; cpy->n_catg = ori->n_catg; Make_Model_Complete(cpy); cpy->datatype = ori->datatype; cpy->n_otu = ori->n_otu; cpy->alpha_old = ori->alpha_old; cpy->kappa_old = ori->alpha_old; cpy->lambda_old = ori->lambda_old; cpy->pinvar_old = ori->pinvar_old; cpy->whichmodel = ori->whichmodel; cpy->seq_len = ori->seq_len; cpy->update_eigen = ori->update_eigen; cpy->kappa = ori->kappa; cpy->alpha = ori->alpha; cpy->lambda = ori->lambda; cpy->bootstrap = ori->bootstrap; cpy->invar = ori->invar; cpy->pinvar = ori->pinvar; cpy->stepsize = ori->stepsize; cpy->n_diff_rr_param = ori->n_diff_rr_param; For(i,cpy->n_diff_rr_param) { cpy->n_rr_param_per_cat[i] = ori->n_rr_param_per_cat[i]; For(j,cpy->n_rr_param_per_cat[i]) { cpy->rr_param_num[i][j] = ori->rr_param_num[i][j]; } } For(i,6) { cpy->rr_param_values[i] = ori->rr_param_values[i]; cpy->rr_param[i] = cpy->rr_param_values+i; } For(i,cpy->ns) { cpy->pi[i] = ori->pi[i]; cpy->user_b_freq[i] = ori->user_b_freq[i]; } For(i,cpy->n_catg) { cpy->r_proba[i] = ori->r_proba[i]; cpy->rr[i] = ori->rr[i]; } return cpy; } /*********************************************************/ void Set_Defaults_Input(option* input) { input->mod->datatype = 0; strcpy(input->modelname,"HKY"); strcpy(input->nt_or_cd,"nucleotides"); input->n_data_sets = 1; input->interleaved = 1; input->inputtree = 0; input->tree = NULL; input->phyml_tree_file_open_mode = 1; input->phyml_stat_file_open_mode = 1; input->seq_len = -1; input->n_data_set_asked = -1; input->print_boot_trees = 1; } /*********************************************************/ void Set_Defaults_Model(model *mod) { int i; strcpy(mod->custom_mod_string,"000000"); mod->whichmodel = 4; mod->n_catg = 1; mod->kappa = 4.0; mod->alpha = 2.0; mod->lambda = 1.0; mod->bootstrap = 0; mod->invar = 0; mod->pinvar = 0.0; mod->stepsize = 1; mod->ns = 4; mod->n_diff_rr_param = 0; For(i,6) { mod->rr_param_values[i] = 1.0; mod->rr_param[i] = mod->rr_param_values+i; } For(i,4) mod->user_b_freq[i] = -1.; } /*********************************************************/ void Set_Defaults_Optimiz(optimiz *s_opt) { s_opt->opt_alpha = 0; s_opt->opt_kappa = 0; s_opt->opt_lambda = 0; s_opt->opt_bl = 0; s_opt->opt_pinvar = 0; s_opt->opt_rr_param = 0; s_opt->opt_topo = 1; s_opt->opt_free_param = 1; } /*********************************************************/ void Copy_Optimiz(optimiz *ori, optimiz *cpy) { cpy->print = ori->print; cpy->opt_alpha = ori->opt_alpha; cpy->opt_kappa = ori->opt_kappa; cpy->opt_lambda = ori->opt_lambda; cpy->opt_pinvar = ori->opt_pinvar; cpy->opt_rr_param = ori->opt_rr_param; cpy->opt_free_param = ori->opt_free_param; cpy->opt_bl = ori->opt_bl; cpy->init_lk = ori->init_lk; cpy->n_it_max = ori->n_it_max; cpy->opt_topo = ori->opt_topo; } /*********************************************************/ void Get_Bip(node *a, node *d, arbre *tree) { if(d->tax) { d->bip_node[0][0] = d; d->bip_size[0] = 1; return; } else { int i,j,k; int d_a; d_a = -1; For(i,3) { if(d->v[i] != a) Get_Bip(d,d->v[i],tree); else d_a = i; } d->bip_size[d_a] = 0; For(i,3) if(d->v[i] !=a ) { For(j,3) { if(d->v[i]->v[j] == d) { For(k,d->v[i]->bip_size[j]) { d->bip_node[d_a][d->bip_size[d_a]] = d->v[i]->bip_node[j][k]; strcpy(d->bip_name[d_a][d->bip_size[d_a]],d->v[i]->bip_node[j][k]->name); d->bip_size[d_a]++; } break; } } } qsort(d->bip_name[d_a],d->bip_size[d_a],sizeof(char *),Sort_String); For(i,3) if(a->v[i] == d) { a->bip_size[i] = 0; For(j,tree->n_otu) { For(k,d->bip_size[d_a]) { if(d->bip_node[d_a][k] == tree->noeud[j]) break; } if(k == d->bip_size[d_a]) { a->bip_node[i][a->bip_size[i]] = tree->noeud[j]; strcpy(a->bip_name[i][a->bip_size[i]],tree->noeud[j]->name); a->bip_size[i]++; } } qsort(a->bip_name[i],a->bip_size[i],sizeof(char *),Sort_String); if(a->bip_size[i] != tree->n_otu - d->bip_size[d_a]) { printf("%d %d \n",a->bip_size[i],tree->n_otu - d->bip_size[d_a]); Exit("\n. Problem in counting bipartitions \n"); } break; } } } /*********************************************************/ void Alloc_Bip(arbre *tree) { int i,j,k; tree->has_bip = 1; For(i,2*tree->n_otu-2) { tree->noeud[i]->bip_size = (int *)mCalloc(3,sizeof(int)); tree->noeud[i]->bip_node = (node ***)mCalloc(3,sizeof(node **)); tree->noeud[i]->bip_name = (char ***)mCalloc(3,sizeof(char **)); For(j,3) { tree->noeud[i]->bip_node[j] = (node **)mCalloc(tree->n_otu,sizeof(node *)); tree->noeud[i]->bip_name[j] = (char **)mCalloc(tree->n_otu,sizeof(char *)); For(k,tree->n_otu) tree->noeud[i]->bip_name[j][k] = (char *)mCalloc(T_MAX_NAME,sizeof(char )); } } } /*********************************************************/ int Sort_Double_Increase(const void *a, const void *b) { if((*(double *)(a)) <= (*(double *)(b))) return -1; else return 1; } /*********************************************************/ int Sort_String(const void *a, const void *b) { return(strcmp((*(const char **)(a)), (*(const char **)(b)))); } /*********************************************************/ void Compare_Bip(arbre *tree1, arbre *tree2) { int i,j,k; edge *b1,*b2; char **bip1,**bip2; int bip_size; For(i,2*tree1->n_otu-3) { if((!tree1->t_edges[i]->left->tax) && (!tree1->t_edges[i]->rght->tax)) { b1 = tree1->t_edges[i]; For(j,2*tree2->n_otu-3) { if((!tree2->t_edges[j]->left->tax) && (!tree2->t_edges[j]->rght->tax)) { b2 = tree2->t_edges[j]; if(MIN(b1->left->bip_size[b1->l_r],b1->rght->bip_size[b1->r_l]) == MIN(b2->left->bip_size[b2->l_r],b2->rght->bip_size[b2->r_l])) { bip_size = MIN(b1->left->bip_size[b1->l_r],b1->rght->bip_size[b1->r_l]); if(b1->left->bip_size[b1->l_r] == b1->rght->bip_size[b1->r_l]) { if(b1->left->bip_name[b1->l_r][0][0] < b1->rght->bip_name[b1->r_l][0][0]) { bip1 = b1->left->bip_name[b1->l_r]; } else { bip1 = b1->rght->bip_name[b1->r_l]; } } else if(b1->left->bip_size[b1->l_r] < b1->rght->bip_size[b1->r_l]) { bip1 = b1->left->bip_name[b1->l_r]; } else { bip1 = b1->rght->bip_name[b1->r_l]; } if(b2->left->bip_size[b2->l_r] == b2->rght->bip_size[b2->r_l]) { if(b2->left->bip_name[b2->l_r][0][0] < b2->rght->bip_name[b2->r_l][0][0]) { bip2 = b2->left->bip_name[b2->l_r]; } else { bip2 = b2->rght->bip_name[b2->r_l]; } } else if(b2->left->bip_size[b2->l_r] < b2->rght->bip_size[b2->r_l]) { bip2 = b2->left->bip_name[b2->l_r]; } else { bip2 = b2->rght->bip_name[b2->r_l]; } if(bip_size == 1) Exit("\n. Problem in Compare_Bip\n"); For(k,bip_size) { if(strcmp(bip1[k],bip2[k])) break; } if(k == bip_size) { b1->bip_score++; b2->bip_score++; break; } } } } } } } /*********************************************************/ void Test_Multiple_Data_Set_Format(option *input) { char *line; line = (char *)mCalloc(T_MAX_LINE,sizeof(char)); input->n_trees = 0; while(fgets(line,T_MAX_LINE,input->fp_input_tree)) if(strstr(line,";")) input->n_trees++; Free(line); /* if((input->n_trees != input->n_data_sets) && */ /* (input->n_data_sets > 1)) */ /* Exit("\n. The number of trees should be the same as\n the number of data sets\n\n"); */ if((input->mod->bootstrap > 1) && (input->n_trees > 1)) Exit("\n. Bootstrap option is not allowed with multiple trees\n"); rewind(input->fp_input_tree); return; } /*********************************************************/ int Are_Compatible(char *statea, char *stateb, int stepsize, int datatype) { int i,j; char a,b; if(datatype == NT) { For(i,stepsize) { a = statea[i]; For(j,stepsize) { b = stateb[j]; switch(a) { case 'A': { switch(b) { case 'A' : case 'M' : case 'R' : case 'W' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'G': { switch(b) { case 'G' : case 'R' : case 'S' : case 'K' : case 'B' : case 'D' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'C': { switch(b) { case 'C' : case 'M' : case 'S' : case 'Y' : case 'B' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'T': { switch(b) { case 'T' : case 'W' : case 'Y' : case 'K' : case 'B' : case 'D' : case 'H' : case 'X' : {b=b; break;} default : return 0; } break; } case 'M' : { switch(b) { case 'M' : case 'A' : case 'C' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'B' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'R' : { switch(b) { case 'R' : case 'A' : case 'G' : case 'M' : case 'W' : case 'S' : case 'K' : case 'B' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'W' : { switch(b) { case 'W' : case 'A' : case 'T' : case 'M' : case 'R' : case 'Y' : case 'K' : case 'B' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'S' : { switch(b) { case 'S' : case 'C' : case 'G' : case 'M' : case 'R' : case 'Y' : case 'K' : case 'B' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'Y' : { switch(b) { case 'Y' : case 'C' : case 'T' : case 'M' : case 'W' : case 'S' : case 'K' : case 'B' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'K' : { switch(b) { case 'K' : case 'G' : case 'T' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'B' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'B' : { switch(b) { case 'B' : case 'C' : case 'G' : case 'T' : case 'M' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'K' : case 'D' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'D' : { switch(b) { case 'D' : case 'A' : case 'G' : case 'T' : case 'M' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'K' : case 'B' : case 'H' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'H' : { switch(b) { case 'H' : case 'A' : case 'C' : case 'T' : case 'M' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'K' : case 'B' : case 'D' : case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'V' : { switch(b) { case 'V' : case 'A' : case 'C' : case 'G' : case 'M' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'K' : case 'B' : case 'D' : case 'H' : case 'X' : {b=b; break;} default : return 0; } break; } case 'X' : { switch(b) { case 'X' : case 'A' : case 'C' : case 'G' : case 'T' : case 'M' : case 'R' : case 'W' : case 'S' : case 'Y' : case 'K' : case 'B' : case 'D' : case 'H' : case 'V' : {b=b; break;} default : return 0; } break; } default : { printf("\n. Err. in Are_Compatible\n"); printf("\n. Please check that characters `%c` and `%c`\n",a,b); printf(" correspond to existing amino-acids.\n"); Exit("\n"); return 0; } } } } } else { a = statea[0]; b = stateb[0]; switch(a) { case 'A' : { switch(b) { case 'A' : case 'X' : {b=b; break;} default : return 0; } break; } case 'R' : { switch(b) { case 'R' : case 'X' : {b=b; break;} default : return 0; } break; } case 'N' : { switch(b) { case 'N' : case 'B' : case 'X' : {b=b; break;} default : return 0; } break; } case 'B' : { switch(b) { case 'N' : case 'B' : case 'X' : {b=b; break;} default : return 0; } break; } case 'D' : { switch(b) { case 'D' : case 'X' : {b=b; break;} default : return 0; } break; } case 'C' : { switch(b) { case 'C' : case 'X' : {b=b; break;} default : return 0; } break; } case 'Q' : { switch(b) { case 'Q' : case 'Z' : case 'X' : {b=b; break;} default : return 0; } break; } case 'Z' : { switch(b) { case 'Q' : case 'Z' : case 'X' : {b=b; break;} default : return 0; } break; } case 'E' : { switch(b) { case 'E' : case 'X' : {b=b; break;} default : return 0; } break; } case 'G' : { switch(b) { case 'G' : case 'X' : {b=b; break;} default : return 0; } break; } case 'H' : { switch(b) { case 'H' : case 'X' : {b=b; break;} default : return 0; } break; } case 'I' : { switch(b) { case 'I' : case 'X' : {b=b; break;} default : return 0; } break; } case 'L' : { switch(b) { case 'L' : case 'X' : {b=b; break;} default : return 0; } break; } case 'K' : { switch(b) { case 'K' : case 'X' : {b=b; break;} default : return 0; } break; } case 'M' : { switch(b) { case 'M' : case 'X' : {b=b; break;} default : return 0; } break; } case 'F' : { switch(b) { case 'F' : case 'X' : {b=b; break;} default : return 0; } break; } case 'P' : { switch(b) { case 'P' : case 'X' : {b=b; break;} default : return 0; } break; } case 'S' : { switch(b) { case 'S' : case 'X' : {b=b; break;} default : return 0; } break; } case 'T' : { switch(b) { case 'T' : case 'X' : {b=b; break;} default : return 0; } break; } case 'W' : { switch(b) { case 'W' : case 'X' : {b=b; break;} default : return 0; } break; } case 'Y' : { switch(b) { case 'Y' : case 'X' : {b=b; break;} default : return 0; } break; } case 'V' : { switch(b) { case 'V' : case 'X' : {b=b; break;} default : return 0; } break; } case 'X' : { switch(b) { case 'A':case 'R':case 'N' :case 'B' :case 'D' : case 'C':case 'Q':case 'Z' :case 'E' :case 'G' : case 'H':case 'I':case 'L' :case 'K' :case 'M' : case 'F':case 'P':case 'S' :case 'T' :case 'W' : case 'Y':case 'V': case 'X' : {b=b; break;} default : return 0; } break; } default : { printf("\n. Err. in Are_Compatible\n"); printf("\n. Please check that characters `%c` and `%c`\n",a,b); printf(" correspond to existing amino-acids.\n"); Exit("\n"); return 0; } } } return 1; } /*********************************************************/ void Hide_Ambiguities(allseq *data) { int i; For(i,data->crunch_len) { if(data->ambigu[i]) { data->wght[i] = 0.0; } } } /*********************************************************/ /*********************************************************/ /*********************************************************/ /*********************************************************/ /*********************************************************/ ./arbsrc_9167/GDE/PHYML/utilities.h0000644012664100000130000006132511213220011016601 0ustar arb_buildcoders/* PHYML : a program that computes maximum likelihood phylogenies from DNA or AA homologous sequences Copyright (C) Stephane Guindon. Oct 2003 onward All parts of the source except where indicated are distributed under the GNU public licence. See http://www.opensource.org for details. */ #ifndef UTILITIES_H #define UTILITIES_H #include #include #include #include #include #include #define VERSION "v2.4.5" extern int NODE_DEG_MAX; extern int BRENT_ITMAX; extern double BRENT_CGOLD; extern double BRENT_ZEPS; extern double MNBRAK_GOLD; extern double MNBRAK_GLIMIT; extern double MNBRAK_TINY; extern double ALPHA_MIN; extern double ALPHA_MAX; extern double BL_MIN; extern double BL_START; extern double BL_MAX; extern double MIN_DIFF_LK; extern double GOLDEN_R; extern double GOLDEN_C; extern int T_MAX_FILE; extern int T_MAX_LINE; extern int T_MAX_NAME; extern int T_MAX_SEQ; extern int N_MAX_INSERT; extern int N_MAX_OTU; extern double UNLIKELY; extern double NJ_SEUIL; extern int MAX_TOPO_DIST; extern double ROUND_MAX; extern double DIST_MAX; extern int LIM_SCALE; extern double LIM_SCALE_VAL; extern double AROUND_LK; extern double PROP_STEP; extern int T_MAX_ALPHABET; extern double MDBL_MAX; extern double MDBL_MIN; extern int POWELL_ITMAX; extern double LINMIN_TOL; #define For(i,n) for(i=0; i(b)?(a):(b)) #define MIN(a,b) ((a)<(b)?(a):(b)) #define SIGN(a,b) ((b) > 0.0 ? fabs(a) : -fabs(a)) #define SHFT(a,b,c,d) (a)=(b);(b)=(c);(c)=(d); #define NT 0 /* nucleotides */ #define AA 1 /* amino acids */ #define ACGT 0 /* A,G,G,T encoding */ #define RY 1 /* R,Y encoding */ #define NODE_DEG_MAX 50 #define BRENT_ITMAX 100 #define BRENT_CGOLD 0.3819660 #define BRENT_ZEPS 1.e-10 #define MNBRAK_GOLD 1.618034 #define MNBRAK_GLIMIT 100.0 #define MNBRAK_TINY 1.e-20 #define ALPHA_MIN 0.04 #define ALPHA_MAX 100 #define BL_MIN 1.e-10 #define BL_START 1.e-03 #define BL_MAX 1.e+05 #define MIN_DIFF_LK 1.e-06 #define GOLDEN_R 0.61803399 #define GOLDEN_C (1.0-GOLDEN_R) #define T_MAX_FILE 200 #define T_MAX_LINE 100000 #define T_MAX_NAME 100 #define T_MAX_SEQ 1000000 #define N_MAX_INSERT 20 #define N_MAX_OTU 4000 #define UNLIKELY -1.e10 #define NJ_SEUIL 0.1 #define ROUND_MAX 100 #define DIST_MAX 2.00 #define AROUND_LK 50.0 #define PROP_STEP 1.0 #define T_MAX_ALPHABET 100 #define MDBL_MIN 2.225074E-308 #define MDBL_MAX 1.797693E+308 #define POWELL_ITMAX 200 #define LINMIN_TOL 2.0E-04 #define LIM_SCALE 3 #define LIM_SCALE_VAL 1.E-50 /* LIM_SCALE = 300; */ /* LIM_SCALE_VAL = 1.E-500; */ /*********************************************************/ typedef struct __Node { struct __Node **v; /* table of pointers to neighbor nodes. Dimension = 2 x n_otu - 3 */ struct __Node ***bip_node; /* three lists of pointer to tip nodes. One list for each direction */ struct __Edge **b; /* table of pointers to neighbor branches */ char ***bip_name; /* three lists of tip node names. One list for each direction */ int *bip_size; /* Size of each of the three lists from bip_node */ double *l; /* lengths of the (three or one) branches connected to one internal node */ int num; /* node number */ char *name; /* taxon name (if exists) */ int tax; /* tax = 1 -> external node, else -> internal node */ int check_branch; /* check_branch=1 is the corresponding branch is labelled with '*' */ double *score; /* score used in BIONJ to determine the best pair of nodes to agglomerate */ }node; /*********************************************************/ typedef struct __Edge { /* syntax : (node) [edge] (left_1) . .(right_1) \ (left) (right) / \._____________./ / [b_fcus] \ / \ (left_2) . .(right_2) */ struct __Node *left,*rght; /* node on the left/right side of the edge */ int l_r,r_l,l_v1,l_v2,r_v1,r_v2; /* these are directions (i.e., 0, 1 or 2): */ /* l_r (left to right) -> left[b_fcus->l_r] = right */ /* r_l (right to left) -> right[b_fcus->r_l] = left */ /* l_v1 (left node to first node != from right) -> left[b_fcus->l_v1] = left_1 */ /* l_v2 (left node to secnd node != from right) -> left[b_fcus->l_v2] = left_2 */ /* r_v1 (right node to first node != from left) -> right[b_fcus->r_v1] = right_1 */ /* r_v2 (right node to secnd node != from left) -> right[b_fcus->r_v2] = right_2 */ int num; /* branch number */ double l; /* branch length */ double best_l; /* best branch length found so far */ double l_old; /* old branch length */ int bip_score; /* score of the bipartition generated by the corresponding edge bip_score = 1 iif the branch is fond in both trees to be compared, bip_score = 0 otherwise. */ double nj_score; /* score of the agglomeration that generated that branch in BIONJ */ double diff_lk; /* difference of likelihood between the current topological configuration at this branch and the best alternative one */ int get_p_lk_left; /* 1 if the likelihood of the subtree on the left has to be computed */ int get_p_lk_rght; /* 1 if the likelihood of the subtree on the right has to be computed */ int ud_p_lk_left; /* 1 if the likelihood of the subtree on the left is up to date */ int ud_p_lk_rght; /* 1 if the likelihood of the subtree on the right is up to date */ double site_dlk; /* derivative of the likelihood (deprecated) */ double site_d2lk; /* 2nd derivative of the likelihood (deprecated) */ double *site_dlk_rr; /* derivative of the likelihood conditional on the current relative rate */ double *site_d2lk_rr; /* 2nd derivative of the likelihood conditional on the current relative rate */ double ***p_lk_left,***p_lk_rght; /* likelihoods of the subtree on the left and right side (for each site and each relative rate category) */ double **site_p_lk_rght, **site_p_lk_left; /* deprecated */ double ***Pij_rr,***dPij_rr,***d2Pij_rr; /* matrix of change probabilities and its first and secnd derivates */ double *ql; /* ql[0], ql[1], ql[2] give the likelihood of the three topological configurations around that branch */ int best_conf; /* best topological configuration : ((left_1,left_2),right_1,right_2) or ((left_1,right_2),right_1,left_2) or ((left_1,right_1),right_1,left_2) */ int num_st_left; /* number of the subtree on the left side */ int num_st_rght; /* number of the subtree on the right side */ /* Below are the likelihood scaling factors (used in functions `Get_All_Partial_Lk_Scale' in lk.c */ int scale_left; int scale_rght; double site_sum_scale_f_left; double site_sum_scale_f_rght; double site_scale_f_left; double site_scale_f_rght; double *sum_scale_f_left; double *sum_scale_f_rght; double bootval; /* bootstrap value (if exists) */ }edge; /*********************************************************/ typedef struct __Arbre { struct __Node *root; /* root node */ struct __Node **noeud; /* array of nodes that defines the tree topology */ struct __Edge **t_edges; /* array of edges */ struct __Arbre *old_tree; /* old copy of the tree */ struct __Arbre *best_tree; /* best tree found so far */ struct __Model *mod; /* substitution model */ struct __AllSeq *data; /* sequences */ struct __Option *input; /* input parameters */ struct __Matrix *mat; /* pairwise distance matrix */ int has_bip; /*if has_bip=1, then the structure to compare tree topologies is allocated, has_bip=0 otherwise */ double min_diff_lk; /* min_diff_lk is the minimum taken among the 2n-3 diff_lk values */ int both_sides; /* both_sides=1 -> a pre-order and a post-order tree traversals are required to compute the likelihood of every subtree in the phylogeny*/ int n_otu; /* number of taxa */ int curr_site; /* current site of the alignment to be processed */ int curr_catg; /* current class of the discrete gamma rate distribution */ double best_loglk; /* highest value of the loglikelihood found so far */ double tot_loglk; /* loglikelihood */ double *tot_loglk_sorted; /* used to compute tot_loglk by adding sorted terms to minimize CPU errors */ double *tot_dloglk; /* first derivative of the likelihood with respect to branch lengths */ double *tot_d2loglk; /* second derivative of the likelihood with respect to branch lengths */ double *site_lk; /* vector of likelihoods at individual sites */ double **log_site_lk_cat; /* loglikelihood at individual sites and for each class of rate*/ double unconstraint_lk; /* unconstrained (or multinomial) likelihood */ int n_swap; /* number of NNIs performed */ int n_pattern; /* number of distinct site patterns */ int has_branch_lengths; /* =1 iff input tree displays branch lengths */ int print_boot_val; /* if print_boot_val=1, the bootstrap values are printed */ }arbre; /*********************************************************/ typedef struct __Seq { char *name; /* sequence name */ int len; /* sequence length */ char *state; /* sequence itself */ }seq; /*********************************************************/ typedef struct __AllSeq { seq **c_seq; /* compressed sequences */ int *invar; /* 1 -> states are identical, 0 states vary */ double *wght; /* # of each site in c_seq */ int n_otu; /* number of taxa */ int clean_len; /* uncrunched sequences lenghts without gaps */ int crunch_len; /* crunched sequences lengths */ double *b_frq; /* observed state frequencies */ int init_len; /* length of the uncompressed sequences */ int *ambigu; /* ambigu[i]=1 is one or more of the sequences at site i display an ambiguous character */ int *sitepatt; /* this array maps the position of the patterns in the compressed alignment to the positions in the uncompressed one */ }allseq; /*********************************************************/ typedef struct __Matrix { /* mostly used in BIONJ */ double **P,**Q,**dist; /* observed proportions of transition, transverion and distances between pairs of sequences */ arbre *tree; /* tree... */ int *on_off; /* on_off[i]=1 if column/line i corresponds to a node that has not been agglomerated yet */ int n_otu; /* number of taxa */ char **name; /* sequence names */ int r; /* number of nodes that have not been agglomerated yet */ struct __Node **tip_node; /* array of pointer to the leaves of the tree */ int curr_int; /* used in the NJ/BIONJ algorithms */ int method; /* if method=1->NJ method is used, BIONJ otherwise */ }matrix; /*********************************************************/ typedef struct __Model { int whichmodel; /* 1 => JC69 2 => K2P 3 => F81 4 => HKY85 5 => F84 6 => TN93 7 => GTR 11 => Dayhoff 12 => JTT 13 => MtREV */ int ns; /* number of states (4 for ADN, 20 for AA) */ double *pi; /* states frequencies */ int datatype; /* 0->DNA, 1->AA */ /* ADN parameters */ double kappa; /* transition/transversion rate */ double lambda; /* parameter used to define the ts/tv ratios in the F84 and TN93 models */ double alpha; /* gamma shapa parameter */ double *r_proba; /* probabilities of the substitution rates defined by the discrete gamma distribution */ double *rr; /* substitution rates defined by the discrete gamma distribution */ int n_catg; /* number of categories in the discrete gamma distribution */ double pinvar; /* proportion of invariable sites */ int invar; /* =1 iff the substitution model takes into account invariable sites */ /* Below are 'old' values of some substitution parameters (see the comments above) */ double alpha_old; double kappa_old; double lambda_old; double pinvar_old; char *custom_mod_string; /* string of characters used to define custom models of substitution */ double **rr_param; /* table of pointers to relative rate parameters of the GTR or custom model */ double *rr_param_values; /* relative rate parameters of the GTR or custom model */ int **rr_param_num; /* each line of this 2d table gives a serie of equal relative rate parameter number */ /* A<->C : number 0 */ /* A<->G : number 1 */ /* A<->T : number 2 */ /* C<->G : number 3 */ /* C<->T : number 4 */ /* G<->T : number 5 */ /* For example, [0][2][3] [1] [4][5] corresponds to the model 010022, i.e., (A<->C = A<->T = C<->T) != (A<->G) != (C<->T = G<->T) */ int *n_rr_param_per_cat; /* [3][1][2] for the previous example */ int n_diff_rr_param; /* number of different relative substitution rates in the custom model */ int update_eigen; /* update_eigen=1-> eigen values/vectors need to be updated */ double ***Pij_rr; /* matrix of change probabilities */ double ***dPij_rr; /* first derivative of the change probabilities with respect to branch length */ double ***d2Pij_rr; /* second derivative of the change probabilities with respect to branch length */ int seq_len; /* sequence length */ /* AA parameters */ /* see PMat_Empirical in models.c for AA algorithm explanation */ double *mat_Q; /* 20x20 amino-acids substitution rates matrix */ double *mat_Vr; /* 20x20 right eigenvectors of mat_Q */ double *mat_Vi; /* 20x20 inverse matrix of mat_Vr */ double *vct_ev; /* eigen values */ double mr; /* mean rate = branch length/time interval */ /* mr = -sum(i)(vct_pi[i].mat_Q[ii]) */ double *vct_eDmr; /* diagonal terms of a 20x20 diagonal matrix */ /* term n = exp(nth eigenvalue of mat_Q / mr) */ int stepsize; /* stepsize=1 for nucleotide models, 3 for codon models */ int n_otu; /* number of taxa */ struct __Optimiz *s_opt; /* pointer to parameters to optimize */ int bootstrap; /* bootstrap values are computed if bootstrap > 0. The value give the number of replicates */ double *user_b_freq; /* user-defined nucleotide frequencies */ }model; /*********************************************************/ typedef struct __Option { /* mostly used in 'options.c' */ char *seqfile; /* sequence file name */ char *modelname; /* name of the model */ struct __Model *mod; /* substitution model */ int interleaved; /* interleaved or sequential sequence file format ? */ int inputtree; /* =1 iff a user input tree is used as input */ struct __Arbre *tree; /* pointer to the current tree */ char *inputtreefile; /* input tree file name */ FILE *fp_seq; /* pointer to the sequence file */ FILE *fp_input_tree; /* pointer to the input tree file */ FILE *fp_boot_tree; /* pointer to the bootstrap tree file */ FILE *fp_boot_stats; /* pointer to the statistics file */ int print_boot_trees; /* =1 if the bootstrapped trees are printed in output */ char *phyml_stat_file; /* name of the statistics file */ char *phyml_tree_file; /* name of the tree file */ char *phyml_lk_file; /* name of the file in which the likelihood of the model is written */ int phyml_stat_file_open_mode; /* opening file mode for statistics file */ int phyml_tree_file_open_mode; /* opening file mode for tree file */ int n_data_sets; /* number of data sets to be analysed */ int n_trees; /* number of trees */ int seq_len; /* sequence length */ int n_data_set_asked; /* number of bootstrap replicates */ struct __Seq **data; /* pointer to the uncompressed sequences */ struct __AllSeq *alldata; /* pointer to the compressed sequences */ char *nt_or_cd; /* nucleotide or codon data ? (not used) */ }option; /*********************************************************/ typedef struct __Optimiz { /* parameters to be optimised (mostly used in 'optimiz.c') */ int print; /* =1 -> verbose mode */ int opt_alpha; /* =1 -> the gamma shape parameter is optimised */ int opt_kappa; /* =1 -> the ts/tv ratio parameter is optimised */ int opt_lambda; /* =1 -> the F84|TN93 model specific parameter is optimised */ int opt_pinvar; /* =1 -> the proportion of invariants is optimised */ int opt_bfreq; /* =1 -> the nucleotide frequencies are optimised */ int opt_rr_param; /* =1 -> the relative rate parameters of the GTR or the customn model are optimised */ int opt_free_param; /* if opt_topo=0 and opt_free_param=1 -> the numerical parameters of the model are optimised. if opt_topo=0 and opt_free_param=0 -> no parameter is optimised */ int opt_bl; /* =1 -> the branch lengths are optimised */ int opt_topo; /* =1 -> the tree topology is optimised */ double init_lk; /* initial loglikelihood value */ int n_it_max; /* maximum bnumber of iteration during an optimisation step */ int last_opt; /* =1 -> the numerical parameters are optimised further while the tree topology remains fixed */ }optimiz; /*********************************************************/ typedef struct __Qmat{ double **u_mat; /* right eigen vectors */ double **v_mat; /* left eigen vectors = inv(u_mat) */ double *root_vct; /* eigen values */ double *q; /* instantaneous rate matrix */ }qmat; /*********************************************************/ double bico(int n,int k); double factln(int n); double gammln(double xx); double Pbinom(int N,int ni,double p); void Plim_Binom(double pH0,int N,double *pinf,double *psup); double LnGamma(double alpha); double IncompleteGamma(double x,double alpha,double ln_gamma_alpha); double PointChi2(double prob,double v); double PointNormal(double prob); int DiscreteGamma(double freqK[],double rK[],double alfa,double beta,int K,int median); arbre *Read_Tree(char *s_tree); void Make_All_Edges_Light(node *a,node *d); void Make_All_Edges_Lk(node *a,node *d,arbre *tree); void R_rtree(char *s_tree,node *pere,arbre *tree,int *n_int,int *n_ext); void Clean_Multifurcation(char **subtrees,int current_deg,int end_deg); char **Sub_Trees(char *tree,int *degree); int Next_Par(char *s,int pos); char *Write_Tree(arbre *tree); void R_wtree(node *pere,node *fils,char *s_tree,arbre *tree); void Init_Tree(arbre *tree); void Make_Edge_Light(node *a,node *d); void Init_Edge_Light(edge *b); void Make_Edge_Dirs(edge *b,node *a,node *d); void Make_Edge_Lk(node *a,node *d,arbre *tree); void Make_Node_Light(node *n); void Init_Node_Light(node *n); void Make_Node_Lk(node *n); seq **Get_Seq(option *input,int rw); seq **Read_Seq_Sequential(FILE *in,int *n_otu); seq **Read_Seq_Interleaved(FILE *in,int *n_otu); int Read_One_Line_Seq(seq ***data,int num_otu,FILE *in); void Uppercase(char *ch); allseq *Compact_Seq(seq **data,option *input); allseq *Compact_CSeq(allseq *data,model *mod); void Get_Base_Freqs(allseq *data); void Get_AA_Freqs(allseq *data); arbre *Read_Tree_File(FILE *fp_input_tree); void Init_Tree_Edges(node *a,node *d,arbre *tree,int *cur); void Exit(char *message); void *mCalloc(int nb,size_t size); void *mRealloc(void *p,int nb,size_t size); arbre *Make_Light_Tree_Struct(int n_otu); int Sort_Double_Decrease(const void *a,const void *b); void qksort(double *A,int ilo,int ihi); void Print_Site(allseq *alldata,int num,int n_otu,char *sep,int stepsize); void Print_Seq(seq **data,int n_otu); void Print_CSeq(FILE *fp,allseq *alldata); void Order_Tree_Seq(arbre *tree,seq **data); void Order_Tree_CSeq(arbre *tree,allseq *data); matrix *Make_Mat(int n_otu); void Init_Mat(matrix *mat,allseq *data); arbre *Make_Tree(allseq *data); void Print_Dist(matrix *mat); void Print_Node(node *a,node *d,arbre *tree); void Share_Lk_Struct(arbre *t_full,arbre *t_empt); void Init_Constant(); void Print_Mat(matrix *mat); int Sort_Edges_Diff_Lk(arbre *tree,edge **sorted_edges,int n_elem); void NNI(arbre *tree,edge *b_fcus,int do_swap); void Swap(node *a,node *b,node *c,node *d,arbre *tree); void Update_All_Partial_Lk(edge *b_fcus,arbre *tree); void Update_SubTree_Partial_Lk(edge *b_fcus,node *a,node *d,arbre *tree); double Update_Lk_At_Given_Edge(edge *b_fcus,arbre *tree); void Update_PMat_At_Given_Edge(edge *b_fcus,arbre *tree); allseq *Make_Seq(int n_otu,int len,char **sp_names); allseq *Copy_CData(allseq *ori,model *mod); optimiz *Alloc_Optimiz(); void Init_Optimiz(optimiz *s_opt); int Filexists(char *filename); FILE *Openfile(char *filename,int mode); void Print_Fp_Out(FILE *fp_out,time_t t_beg,time_t t_end,arbre *tree,option *input,int n_data_set); void Print_Fp_Out_Lines(FILE *fp_out,time_t t_beg,time_t t_end,arbre *tree,option *input,int n_data_set); void Alloc_All_P_Lk(arbre *tree); matrix *K2P_dist(allseq *data,double g_shape); matrix *JC69_Dist(allseq *data,model *mod); matrix *Hamming_Dist(allseq *data,model *mod); int Is_Ambigu(char *state,int datatype,int stepsize); void Check_Ambiguities(allseq *data,int datatype,int stepsize); int Assign_State(char *c,int datatype,int stepsize); void Bootstrap(arbre *tree); void Update_BrLen_Invar(arbre *tree); void Getstring_Stdin(char *file_name); void Print_Freq(arbre *tree); double Num_Derivatives_One_Param(double(*func)(arbre *tree),arbre *tree,double f0,double *param,double stepsize,double *err,int precise); void Num_Derivative_Several_Param(arbre *tree,double *param,int n_param,double stepsize,double(*func)(arbre *tree),double *derivatives); int Compare_Two_States(char *state1,char *state2,int state_size); void Copy_One_State(char *from,char *to,int state_size); model *Make_Model_Basic(); void Make_Model_Complete(model *mod); model *Copy_Model(model *ori); void Set_Defaults_Input(option *input); void Set_Defaults_Model(model *mod); void Set_Defaults_Optimiz(optimiz *s_opt); void Copy_Optimiz(optimiz *ori,optimiz *cpy); void Get_Bip(node *a,node *d,arbre *tree); void Alloc_Bip(arbre *tree); int Sort_Double_Increase(const void *a,const void *b); int Sort_String(const void *a,const void *b); void Compare_Bip(arbre *tree1,arbre *tree2); void Test_Multiple_Data_Set_Format(option *input); int Are_Compatible(char *statea,char *stateb,int stepsize,int datatype); void Hide_Ambiguities(allseq *data); void Print_Site_Lk(arbre *tree, FILE *fp); #endif ./arbsrc_9167/GDE/RAxML/axml.c0000644012664100000130000060212611213220010015553 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifdef WIN32 #include #endif #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #ifdef PARALLEL #include #endif #ifdef _USE_PTHREADS #include #endif #include "axml.h" #include "globalVariables.h" /***************** UTILITY FUNCTIONS **************************/ double gettime(void) { #ifdef WIN32 time_t tp; struct tm localtm; tp = time(NULL); localtm = *localtime(&tp); return 60.0*localtm.tm_min + localtm.tm_sec; #else struct timeval ttime; gettimeofday(&ttime , NULL); return ttime.tv_sec + ttime.tv_usec * 0.000001; #endif } int gettimeSrand(void) { #ifdef WIN32 time_t tp; struct tm localtm; tp = time(NULL); localtm = *localtime(&tp); return 24*60*60*localtm.tm_yday + 60*60*localtm.tm_hour + 60*localtm.tm_min + localtm.tm_sec; #else struct timeval ttime; gettimeofday(&ttime , NULL); return ttime.tv_sec + ttime.tv_usec; #endif } double randum (long *seed) /* random number generator, modified to use 12 bit chunks */ { /* randum */ long sum, mult0, mult1, seed0, seed1, seed2, newseed0, newseed1, newseed2; double res; mult0 = 1549; seed0 = *seed & 4095; sum = mult0 * seed0; newseed0 = sum & 4095; sum >>= 12; seed1 = (*seed >> 12) & 4095; mult1 = 406; sum += mult0 * seed1 + mult1 * seed0; newseed1 = sum & 4095; sum >>= 12; seed2 = (*seed >> 24) & 255; sum += mult0 * seed2 + mult1 * seed1; newseed2 = sum & 255; *seed = newseed2 << 24 | newseed1 << 12 | newseed0; res = 0.00390625 * (newseed2 + 0.000244140625 * (newseed1 + 0.000244140625 * newseed0)); return res; } /* randum */ static int filexists(char *filename) { FILE *fp; int res; fp = fopen(filename,"r"); if(fp) { res = 1; fclose(fp); } else res = 0; return res; } /********************* END UTILITY FUNCTIONS ********************/ /******************************some functions for the likelihood computation ****************************/ #ifdef WIN32 boolean isTip(int number, int maxTips) #else inline boolean isTip(int number, int maxTips) #endif { assert(number > 0); if(number <= maxTips) return TRUE; else return FALSE; } #ifdef WIN32 double *getLikelihoodArray(int number, int mxtips, double **xVector) #else inline double *getLikelihoodArray(int number, int mxtips, double **xVector) #endif { return (xVector[number - mxtips - 1]); } #ifdef WIN32 int *getScalingArray(int number, int endsite, int mxtips, int *scalingArray) #else inline int *getScalingArray(int number, int endsite, int mxtips, int *scalingArray) #endif { return &(scalingArray[endsite * (number - mxtips - 1)]); } #ifdef _MULTI_GENE void getxsnode (nodeptr p, int model) { assert(p->xs[model] || p->next->xs[model] || p->next->next->xs[model]); assert(p->xs[model] + p->next->xs[model] + p->next->next->xs[model] == 1); assert(p == p->next->next->next); p->xs[model] = 1; if(p->next->xs[model]) { p->next->xs[model] = 0; return; } else { p->next->next->xs[model] = 0; return; } assert(0); } #endif void getxnode (nodeptr p) { nodeptr s; if ((s = p->next)->x || (s = s->next)->x) { p->x = s->x; s->x = 0; } assert(p->x); } void hookup (nodeptr p, nodeptr q, double *z, int numBranches) { int i; p->back = q; q->back = p; for(i = 0; i < numBranches; i++) p->z[i] = q->z[i] = z[i]; } void hookupDefault (nodeptr p, nodeptr q, int numBranches) { int i; p->back = q; q->back = p; for(i = 0; i < numBranches; i++) p->z[i] = q->z[i] = defaultz; } /******************************some functions for the likelihood computation ****************************/ /***********************reading and initializing input ******************/ static void getnums (rawdata *rdta) { if (fscanf(INFILE, "%d %d", & rdta->numsp, & rdta->sites) != 2) { if(processID == 0) printf("ERROR: Problem reading number of species and sites\n"); errorExit(-1); } if (rdta->numsp < 4) { if(processID == 0) printf("TOO FEW SPECIES\n"); errorExit(-1); } if (rdta->sites < 1) { if(processID == 0) printf("TOO FEW SITES\n"); errorExit(-1); } return; } static boolean digitchar (int ch) { return (ch >= '0' && ch <= '9'); } boolean whitechar (int ch) { return (ch == ' ' || ch == '\n' || ch == '\t' || ch == '\r'); /* PC-LINEBREAK*/ } static void uppercase (int *chptr) { int ch; ch = *chptr; if ((ch >= 'a' && ch <= 'i') || (ch >= 'j' && ch <= 'r') || (ch >= 's' && ch <= 'z')) *chptr = ch + 'A' - 'a'; } static void getyspace (rawdata *rdta) { long size; int i; char *y0; if (! (rdta->y = (char **) malloc((rdta->numsp + 1) * sizeof(char *)))) { printf("ERROR: Unable to obtain space for data array pointers\n"); exit(-1); } size = 4 * (rdta->sites / 4 + 1); if (! (y0 = (char *) malloc((rdta->numsp + 1) * size * sizeof(char)))) { printf("ERROR: Unable to obtain space for data array\n"); exit(-1); } rdta->y0 = y0; for (i = 0; i <= rdta->numsp; i++) { rdta->y[i] = y0; y0 += size; } return; } static boolean setupTree (tree *tr, analdef *adef) { nodeptr p0, p, q; int i, j, tips, inter; tr->expArray = (int*)NULL; tr->likelihoodArray = (double*)NULL; tr->sumBuffer = (double*)NULL; tr->bigCutoff = FALSE; tr->mixedData = FALSE; tr->ib = (insertionBranch *)NULL; tr->ip = (insertionPoints *)NULL; tr->numberOfTipsForInsertion = 0; for(i = 0; i < NUM_BRANCHES; i++) tr->partitionContributions[i] = -1.0; if(!adef->useMultipleModel) tr->NumberOfModels = 1; if(adef->grouping) tr->grouped = TRUE; else tr->grouped = FALSE; if(adef->constraint) tr->constrained = TRUE; else tr->constrained = FALSE; tr->treeID = 0; tips = tr->mxtips; inter = tr->mxtips - 1; tr->tipVectorDNA = (double *)malloc(tr->NumberOfModels * 64 * sizeof(double)); tr->tipVectorAA = (double *)malloc(tr->NumberOfModels * 460 * sizeof(double)); tr->EV_DNA = (double *)malloc(tr->NumberOfModels * 16 * sizeof(double)); tr->EV_AA = (double *)malloc(tr->NumberOfModels * 400 * sizeof(double)); tr->EI_DNA = (double *)malloc(tr->NumberOfModels * 12 * sizeof(double)); tr->EI_AA = (double *)malloc(tr->NumberOfModels * 380 * sizeof(double)); tr->EIGN_DNA = (double *)malloc(tr->NumberOfModels * 3 * sizeof(double)); tr->EIGN_AA = (double *)malloc(tr->NumberOfModels * 19 * sizeof(double)); tr->frequencies_DNA = (double *)malloc(tr->NumberOfModels * 4 * sizeof(double)); tr->frequencies_AA = (double *)malloc(tr->NumberOfModels * 20 * sizeof(double)); tr->initialRates_DNA = (double *)malloc(tr->NumberOfModels * 5 * sizeof(double)); tr->initialRates_AA = (double *)malloc(tr->NumberOfModels * 190 * sizeof(double)); tr->xVector = (double **)malloc(tr->mxtips * sizeof(double *)); tr->yVector = (char **) malloc((tr->mxtips + 1) * sizeof(char *)); tr->gammaRates = (double *)malloc(tr->NumberOfModels * 4 * sizeof(double)); tr->alphas = (double *)malloc(tr->NumberOfModels * sizeof(double)); tr->invariants = (double *)malloc(tr->NumberOfModels * sizeof(double)); tr->fracchanges = (double *)malloc(tr->NumberOfModels * sizeof(double)); tr->likelihoods = (double *)malloc(adef->multipleRuns * sizeof(double)); tr->treeStringLength = tr->mxtips * (nmlngth+128) + 256 + tr->mxtips * 2; tr->tree_string = (char *)malloc(tr->treeStringLength * sizeof(char)); /*TODO, must that be so long ?*/ /* tr->ti = (traversalInfo *)malloc(sizeof(traversalInfo) * tr->mxtips);*/ tr->td[0].count = 0; tr->td[0].ti = (traversalInfo *)malloc(sizeof(traversalInfo) * tr->mxtips); for(i = 0; i < tr->NumberOfModels; i++) tr->fracchanges[i] = -1.0; tr->fracchange = -1.0; #ifdef _MULTI_GENE tr->doMulti = 0; { int k; for(k = 0; k < tr->numBranches; k++) { tr->td[k].count = 0; tr->td[k].ti = (traversalInfo *)malloc(sizeof(traversalInfo) * tr->mxtips); } } #endif tr->constraintVector = (int *)malloc((2 * tr->mxtips) * sizeof(int)); tr->nameList = (char **)malloc(sizeof(char *) * (tips + 1)); if (!(p0 = (nodeptr) malloc((tips + 3*inter) * sizeof(node)))) { printf("ERROR: Unable to obtain sufficient tree memory\n"); return FALSE; } if (!(tr->nodep = (nodeptr *) malloc((2*tr->mxtips) * sizeof(nodeptr)))) { printf("ERROR: Unable to obtain sufficient tree memory, too\n"); return FALSE; } tr->nodep[0] = (node *) NULL; /* Use as 1-based array */ for (i = 1; i <= tips; i++) { p = p0++; p->x = 0; p->number = i; p->next = p; p->back = (node *) NULL; #ifdef _MULTI_GENE { int k; for(k = 0; k < tr->numBranches; k++) { p->xs[k] = 0; p->backs[k] = (nodeptr)NULL; } } #endif tr->nodep[i] = p; } for (i = tips + 1; i <= tips + inter; i++) { q = (node *) NULL; for (j = 1; j <= 3; j++) { p = p0++; p->x = 0; p->number = i; p->next = q; p->back = (node *) NULL; #ifdef _MULTI_GENE { int k; for(k = 0; k < tr->numBranches; k++) { p->xs[k] = 0; p->backs[k] = (nodeptr)NULL; } } #endif q = p; } p->next->next->next = p; tr->nodep[i] = p; } tr->likelihood = unlikely; tr->start = (node *) NULL; tr->ntips = 0; tr->nextnode = 0; tr->prelabeled = TRUE; tr->smoothed = FALSE; return TRUE; } static boolean getdata (analdef *adef, rawdata *rdta, tree *tr) { int i, j, basesread, basesnew, ch, my_i, meaning; int meaningAA[256], meaningDNA[256]; boolean allread, firstpass; char buffer[300]; int len; unsigned long total = 0; unsigned long gaps = 0; int gapValueAA, gapValueDNA; for (i = 0; i <= 255; i++) { meaningAA[i] = -1; meaningDNA[i] = -1; } /* AA data */ meaningAA['A'] = 0; /* alanine */ meaningAA['R'] = 1; /* arginine */ meaningAA['N'] = 2; /* asparagine*/ meaningAA['D'] = 3; /* aspartic */ meaningAA['C'] = 4; /* cysteine */ meaningAA['Q'] = 5; /* glutamine */ meaningAA['E'] = 6; /* glutamic */ meaningAA['G'] = 7; /* glycine */ meaningAA['H'] = 8; /* histidine */ meaningAA['I'] = 9; /* isoleucine */ meaningAA['L'] = 10; /* leucine */ meaningAA['K'] = 11; /* lysine */ meaningAA['M'] = 12; /* methionine */ meaningAA['F'] = 13; /* phenylalanine */ meaningAA['P'] = 14; /* proline */ meaningAA['S'] = 15; /* serine */ meaningAA['T'] = 16; /* threonine */ meaningAA['W'] = 17; /* tryptophan */ meaningAA['Y'] = 18; /* tyrosine */ meaningAA['V'] = 19; /* valine */ meaningAA['B'] = 20;/* asparagine, aspartic 2 and 3*/ meaningAA['Z'] = 21;/*21 glutamine glutamic 5 and 6*/ meaningAA['X'] = meaningAA['?'] = meaningAA['*'] = meaningAA['-'] = 22; /* all = 1.0 */ gapValueAA = 22; /* DNA data */ meaningDNA['A'] = 1; meaningDNA['B'] = 14; meaningDNA['C'] = 2; meaningDNA['D'] = 13; meaningDNA['G'] = 4; meaningDNA['H'] = 11; meaningDNA['K'] = 12; meaningDNA['M'] = 3; meaningDNA['N'] = 15; meaningDNA['O'] = 15; meaningDNA['R'] = 5; meaningDNA['S'] = 6; meaningDNA['T'] = 8; meaningDNA['U'] = 8; meaningDNA['V'] = 7; meaningDNA['W'] = 9; meaningDNA['X'] = 15; meaningDNA['Y'] = 10; meaningDNA['-'] = 15; meaningDNA['?'] = 15; gapValueDNA = 15; /*******************************************************************/ basesread = basesnew = 0; allread = FALSE; firstpass = TRUE; ch = ' '; while (! allread) { for (i = 1; i <= tr->mxtips; i++) { if (firstpass) { ch = getc(INFILE); while(ch == ' ' || ch == '\n' || ch == '\t' || ch == '\r') /* PC-LINEBREAK*/ { ch = getc(INFILE); } my_i = 0; do { buffer[my_i] = ch; ch = getc(INFILE); my_i++; if(my_i >= nmlngth) { if(processID == 0) { printf("Taxon Name to long at taxon %d, adapt constant nmlngth in\n", i); printf("axml.h, current setting %d\n", nmlngth); } errorExit(-1); } } while(ch != ' ' && ch != '\n' && ch != '\t' && ch != '\r'); /* PC-LINEBREAK*/ buffer[my_i] = '\0'; len = strlen(buffer) + 1; tr->nameList[i] = (char *)malloc(sizeof(char) * len); strcpy(tr->nameList[i], buffer); } j = basesread; while ((j < rdta->sites) && ((ch = getc(INFILE)) != EOF) && (ch != '\n') && (ch != '\r')) /* PC-LINEBREAK*/ { uppercase(& ch); assert(tr->dataVector[j + 1] != -1); switch(tr->dataVector[j + 1]) { case DNA_DATA: meaning = meaningDNA[ch]; break; case AA_DATA: meaning = meaningAA[ch]; break; default: assert(0); } if ((meaning != -1) || ch == '.') { j++; if (ch == '.') { if (i != 1) ch = rdta->y[1][j]; else { printf("ERROR: Dot (.) found at site %d of sequence 1\n", j + 1); return FALSE; } } rdta->y[i][j] = ch; } else { if(whitechar(ch) || digitchar(ch)) ; else { printf("ERROR: Bad base (%c) at site %d of sequence %d\n", ch, j + 1, i); return FALSE; } } } if (ch == EOF) { printf("ERROR: End-of-file at site %d of sequence %d\n", j + 1, i); return FALSE; } if (! firstpass && (j == basesread)) i--; else { if (i == 1) basesnew = j; else if (j != basesnew) { printf("ERROR: Sequences out of alignment\n"); printf("%d (instead of %d) residues read in sequence %d %s\n", j - basesread, basesnew - basesread, i, tr->nameList[i]); return FALSE; } } while (ch != '\n' && ch != EOF && ch != '\r') ch = getc(INFILE); /* flush line *//* PC-LINEBREAK*/ } firstpass = FALSE; basesread = basesnew; allread = (basesread >= rdta->sites); } for(j = 1; j <= tr->mxtips; j++) for(i = 1; i <= rdta->sites; i++) { assert(tr->dataVector[i] != -1); switch(tr->dataVector[i]) { case DNA_DATA: meaning = meaningDNA[rdta->y[j][i]]; if(meaning == gapValueDNA) gaps++; break; case AA_DATA: meaning = meaningAA[rdta->y[j][i]]; if(meaning == gapValueAA) gaps++; break; default: assert(0); } total++; rdta->y[j][i] = meaning; } adef->gapyness = (double)gaps / (double)total; return TRUE; } static void inputweights (rawdata *rdta) { int i, w, fres; FILE *weightFile; int *wv = (int *)malloc(sizeof(int) * rdta->sites + 1); weightFile = fopen(weightFileName, "r"); if (!weightFile) { if(processID == 0) printf( "Could not open weight file: %s\n", weightFileName); errorExit(-1); } i = 1; while((fres = fscanf(weightFile,"%d", &w)) != EOF) { if(!fres) { if(processID == 0) printf("error reading weight file probably encountered a non-integer weight value\n"); errorExit(-1); } wv[i] = w; i++; } if(i != (rdta->sites + 1)) { if(processID == 0) printf("number %d of weights not equal to number %d of alignment columns\n", i, rdta->sites); errorExit(-1); } for(i = 1; i <= rdta->sites; i++) rdta->wgt[i] = wv[i]; fclose(weightFile); free(wv); } static void getinput(analdef *adef, rawdata *rdta, cruncheddata *cdta, tree *tr) { int i; getnums(rdta); tr->mxtips = rdta->numsp; rdta->wgt = (int *) malloc((rdta->sites + 1) * sizeof(int)); rdta->wgt2 = (int *) malloc((rdta->sites + 1) * sizeof(int)); cdta->alias = (int *) malloc((rdta->sites + 1) * sizeof(int)); cdta->aliaswgt = (int *) malloc((rdta->sites + 1) * sizeof(int)); cdta->rateCategory = (int *) malloc((rdta->sites + 1) * sizeof(int)); tr->model = (int *) calloc((rdta->sites + 1), sizeof(int)); tr->dataVector = (int *) malloc((rdta->sites + 1) * sizeof(int)); cdta->wr = (double *) malloc((rdta->sites + 1) * sizeof(double)); cdta->wr2 = (double *) malloc((rdta->sites + 1) * sizeof(double)); cdta->patrat = (double *) malloc((rdta->sites + 1) * sizeof(double)); cdta->patratStored = (double *) malloc((rdta->sites + 1) * sizeof(double)); if(!adef->useWeightFile) { for (i = 1; i <= rdta->sites; i++) rdta->wgt[i] = 1; } else inputweights(rdta); tr->multiBranch = 0; tr->numBranches = 1; if(adef->useMultipleModel) { int ref; parsePartitions(adef, rdta, tr); for(i = 1; i <= rdta->sites; i++) { ref = tr->model[i]; tr->dataVector[i] = tr->partitionData[ref].dataType; } } else { int dataType; tr->partitionData = (pInfo*)malloc(sizeof(pInfo)); tr->partitionData[0].partitionName = (char*)malloc(128 * sizeof(char)); strcpy(tr->partitionData[0].partitionName, "No Name Provided"); tr->partitionData[0].protModels = adef->proteinMatrix; tr->partitionData[0].protFreqs = adef->protEmpiricalFreqs; tr->NumberOfModels = 1; if(adef->model == M_PROTCAT || adef->model == M_PROTGAMMA) dataType = AA_DATA; else dataType = DNA_DATA; /* INIT data-type, model, dataVector for good */ /* those values will be constant throughout the */ /* inference process */ tr->partitionData[0].dataType = dataType; for(i = 0; i <= rdta->sites; i++) { tr->dataVector[i] = dataType; tr->model[i] = 0; } } #ifdef _MULTI_GENE { int i; tr->startVector = (nodeptr *)malloc(sizeof(nodeptr) * tr->NumberOfModels); tr->tipMissing = (char **)malloc(sizeof(char *) * (tr->mxtips + 1)); for(i = 0; i <= tr->mxtips; i++) tr->tipMissing[i] = (char *)malloc(sizeof(char) * (tr->NumberOfModels)); } #endif getyspace(rdta); setupTree(tr, adef); if(!getdata(adef, rdta, tr)) { printf("Problem reading alignment file \n"); errorExit(1); } return; } static void sitesort(rawdata *rdta, cruncheddata *cdta, tree *tr, analdef *adef) { int gap, i, j, jj, jg, k, n, nsp; int *index, *category, *superCategory; boolean flip, tied; char **data; if(adef->useMultipleModel) { superCategory = tr->dataVector; category = tr->model; } else { category = (int*)NULL; superCategory = (int*)NULL; } index = cdta->alias; data = rdta->y; n = rdta->sites; nsp = rdta->numsp; index[0] = -1; if((adef->mode != OPTIMIZE_RATES)) { for (gap = n / 2; gap > 0; gap /= 2) { for (i = gap + 1; i <= n; i++) { j = i - gap; do { jj = index[j]; jg = index[j+gap]; if(adef->useMultipleModel) { assert(superCategory[jj] != -1 && superCategory[jg] != -1 && category[jj] != -1 && category[jg] != -1); if(superCategory[jj] > superCategory[jg]) { flip = TRUE; tied = FALSE; } else { flip = (category[jj] > category[jg]); tied = (category[jj] == category[jg]); } } else { flip = 0; tied = 1; } for (k = 1; (k <= nsp) && tied; k++) { flip = (data[k][jj] > data[k][jg]); tied = (data[k][jj] == data[k][jg]); } if (flip) { index[j] = jg; index[j+gap] = jj; j -= gap; } } while (flip && (j > 0)); } } } } static void sitecombcrunch (rawdata *rdta, cruncheddata *cdta, tree *tr, analdef *adef) { int i, sitei, j, sitej, k; boolean tied; int *aliasModel; int *aliasSuperModel; if(adef->useMultipleModel) { aliasSuperModel = (int*)malloc(sizeof(int) * (rdta->sites + 1)); aliasModel = (int*)malloc(sizeof(int) * (rdta->sites + 1)); } else { aliasModel = (int*)NULL; aliasSuperModel = (int*)NULL; } i = 0; cdta->alias[0] = cdta->alias[1]; cdta->aliaswgt[0] = 0; for (j = 1; j <= rdta->sites; j++) { sitei = cdta->alias[i]; sitej = cdta->alias[j]; if(adef->mode == OPTIMIZE_RATES) tied = 0; else { if(adef->useMultipleModel) { tied = (tr->model[sitei] == tr->model[sitej]); if(tied) assert(tr->dataVector[sitei] == tr->dataVector[sitej]); } else tied = 1; } for (k = 1; tied && (k <= rdta->numsp); k++) tied = (rdta->y[k][sitei] == rdta->y[k][sitej]); if (tied) { cdta->aliaswgt[i] += rdta->wgt2[sitej]; if(adef->useMultipleModel) { aliasModel[i] = tr->model[sitej]; aliasSuperModel[i] = tr->dataVector[sitej]; } } else { if (cdta->aliaswgt[i] > 0) i++; cdta->aliaswgt[i] = rdta->wgt2[sitej]; cdta->alias[i] = sitej; if(adef->useMultipleModel) { aliasModel[i] = tr->model[sitej]; aliasSuperModel[i] = tr->dataVector[sitej]; } } } cdta->endsite = i; if (cdta->aliaswgt[i] > 0) cdta->endsite++; if(adef->useMultipleModel) { for(i = 0; i <= rdta->sites; i++) { tr->model[i] = aliasModel[i]; tr->dataVector[i] = aliasSuperModel[i]; } } if(adef->useMultipleModel) { free(aliasModel); free(aliasSuperModel); } /*for(i = 0; i < cdta->endsite; i++) { printf("%d %d %d\n", i, tr->model[i], tr->dataVector[i]); }*/ } static boolean makeweights (analdef *adef, rawdata *rdta, cruncheddata *cdta, tree *tr) { int i; for (i = 1; i <= rdta->sites; i++) rdta->wgt2[i] = rdta->wgt[i]; for (i = 1; i <= rdta->sites; i++) cdta->alias[i] = i; sitesort(rdta, cdta, tr, adef); sitecombcrunch(rdta, cdta, tr, adef); return TRUE; } static boolean makevalues(rawdata *rdta, cruncheddata *cdta, tree *tr, analdef *adef) { int i, j, model, fullSites = 0, modelCounter; char *y = (char *)malloc(rdta->numsp * cdta->endsite * sizeof(char)); char *yBUF = (char *)malloc(rdta->numsp * cdta->endsite * sizeof(char)); for (i = 1; i <= rdta->numsp; i++) for (j = 0; j < cdta->endsite; j++) y[((i - 1) * cdta->endsite) + j] = rdta->y[i][cdta->alias[j]]; free(rdta->y0); free(rdta->y); rdta->y0 = y; memcpy(yBUF, y, rdta->numsp * cdta->endsite * sizeof(char)); rdta->yBUF = yBUF; if(!adef->useMultipleModel) tr->NumberOfModels = 1; if(adef->useMultipleModel) { int *perm = (int*)malloc(sizeof(int) * tr->NumberOfModels); pInfo *partitionData = (pInfo*)malloc(sizeof(pInfo) * tr->NumberOfModels); tr->partitionData[0].lower = 0; model = tr->model[0]; modelCounter = 0; perm[modelCounter] = model; i = 1; while(i < cdta->endsite) { if(tr->model[i] != model) { tr->partitionData[modelCounter].upper = i; tr->partitionData[modelCounter + 1].lower = i; model = tr->model[i]; perm[modelCounter + 1] = model; modelCounter++; } i++; } tr->partitionData[tr->NumberOfModels - 1].upper = cdta->endsite; memcpy(partitionData, tr->partitionData, tr->NumberOfModels * sizeof(pInfo)); for(i = 0; i < tr->NumberOfModels; i++) { tr->partitionData[i].dataType = partitionData[perm[i]].dataType; tr->partitionData[i].protModels = partitionData[perm[i]].protModels; tr->partitionData[i].protFreqs = partitionData[perm[i]].protFreqs; } model = tr->model[0]; modelCounter = 0; tr->model[0] = modelCounter; i = 1; while(i < cdta->endsite) { if(tr->model[i] != model) { model = tr->model[i]; modelCounter++; tr->model[i] = modelCounter; } else tr->model[i] = modelCounter; i++; } for(i = 0; i < (cdta->endsite - 1); i++) { if(tr->dataVector[i] != tr->dataVector[i + 1]) { tr->mixedData = TRUE; break; } } free(perm); free(partitionData); } else { tr->partitionData[0].lower = 0; tr->partitionData[0].upper = cdta->endsite; } #ifdef _USE_PTHREADS /* TODO-MIX Have to seriously think about whether to implement this or not */ if(tr->mixedData) { printf("No Pthreads implementation for mixed data available right now \n"); assert(0); } #endif tr->rdta = rdta; tr->cdta = cdta; tr->invariant = (int *)malloc(cdta->endsite * sizeof(int)); tr->originalDataVector = (int *)malloc(cdta->endsite * sizeof(int)); tr->originalModel = (int *)malloc(cdta->endsite * sizeof(int)); tr->originalWeights = (int *)malloc(cdta->endsite * sizeof(int)); memcpy(tr->originalModel, tr->model, cdta->endsite * sizeof(int)); memcpy(tr->originalDataVector, tr->dataVector, cdta->endsite * sizeof(int)); memcpy(tr->originalWeights, tr->cdta->aliaswgt, cdta->endsite * sizeof(int)); tr->originalCrunchedLength = tr->cdta->endsite; for(i = 0; i < tr->cdta->endsite; i++) fullSites += tr->cdta->aliaswgt[i]; tr->fullSites = fullSites; for(i = 0; i < rdta->numsp; i++) tr->yVector[i + 1] = &(rdta->y0[tr->originalCrunchedLength * i]); return TRUE; } static int sequenceSimilarity(char *tipJ, char *tipK, int n) { int i; for(i = 0; i < n; i++) if(*tipJ++ != *tipK++) return 0; return 1; } static void checkSequences(tree *tr, rawdata *rdta, analdef *adef) { int n = tr->mxtips + 1; int i, j; int *omissionList = (int *)malloc(n * sizeof(int)); int *undeterminedList = (int *)malloc((rdta->sites + 1)* sizeof(int)); int *modelList = (int *)malloc((rdta->sites + 1)* sizeof(int)); int count = 0; int countNameDuplicates = 0; int countUndeterminedColumns = 0; int countOnlyGaps = 0; int modelCounter = 1; char undetermined_AA = 22; char undetermined_DNA = 15; char *tipI, *tipJ; FILE *f; if(processID == 0) f = fopen(infoFileName, "a"); else f = (FILE *)NULL; for(i = 1; i < n; i++) omissionList[i] = 0; for(i = 0; i < rdta->sites + 1; i++) undeterminedList[i] = 0; for(i = 1; i < n; i++) { for(j = i + 1; j < n; j++) if(strcmp(tr->nameList[i], tr->nameList[j]) == 0) { countNameDuplicates++; if(processID == 0) { printf("Sequence names of taxon %d and %d are identical, they are both called %s\n", i, j, tr->nameList[i]); fprintf(f, "Sequence names of taxon %d and %d are identical, they are both called %s\n", i, j, tr->nameList[i]); } } } if(countNameDuplicates > 0) { if(processID == 0) { printf("ERROR: Found %d taxa that had equal names in the alignment, exiting...\n", countNameDuplicates); fprintf(f, "ERROR: Found %d taxa that had equal names in the alignment, exiting...\n", countNameDuplicates); fclose(f); } errorExit(-1); } for(i = 1; i < n; i++) { j = 1; while(j <= rdta->sites) { if(tr->dataVector[j] == DNA_DATA && rdta->y[i][j] != undetermined_DNA) break; if(tr->dataVector[j] == AA_DATA && rdta->y[i][j] != undetermined_AA) break; j++; } if(j == (rdta->sites + 1)) { if(processID == 0) { printf("ERROR: Sequence %s consists entirely of undetermined values which will be treated as missing data\n", tr->nameList[i]); fprintf(f, "ERROR: Sequence %s consists entirely of undetermined values which will be treated as missing data\n", tr->nameList[i]); } countOnlyGaps++; } } if(countOnlyGaps > 0) { if(processID == 0) { printf("ERROR: Found %d sequences that consist entirely of undetermined values, exiting...\n", countOnlyGaps); fprintf(f, "ERROR: Found %d sequences that consist entirely of undetermined values, exiting...\n", countOnlyGaps); fclose(f); } errorExit(-1); } for(i = 0; i <= rdta->sites; i++) modelList[i] = -1; for(i = 1; i <= rdta->sites; i++) { j = 1; while(j < n) { if(tr->dataVector[i] == DNA_DATA && rdta->y[j][i] != undetermined_DNA) break; if(tr->dataVector[i] == AA_DATA && rdta->y[j][i] != undetermined_AA) break; j++; } if(j == n) { undeterminedList[i] = 1; if(processID == 0) { printf("IMPORTANT WARNING: Alignment column %d contains only undetermined values which will be treated as missing data\n", i); fprintf(f, "IMPORTANT WARNING: Alignment column %d contains only undetermined values which will be treated as missing data\n", i); } countUndeterminedColumns++; } else { if(adef->useMultipleModel) { modelList[modelCounter] = tr->model[i]; modelCounter++; } } } for(i = 1; i < n; i++) { if(omissionList[i] == 0) { tipI = &(rdta->y[i][1]); for(j = i + 1; j < n; j++) { if(omissionList[j] == 0) { tipJ = &(rdta->y[j][1]); if(sequenceSimilarity(tipI, tipJ, rdta->sites)) { if(processID == 0) { printf("\n\nIMPORTANT WARNING: Sequences %s and %s are exactly identical\n", tr->nameList[i], tr->nameList[j]); fprintf(f, "\n\nIMPORTANT WARNING: Sequences %s and %s are exactly identical\n", tr->nameList[i], tr->nameList[j]); } omissionList[j] = 1; count++; } } } } } if(count > 0 || countUndeterminedColumns > 0) { char noDupFile[2048]; char noDupModels[2048]; if(count > 0) { if(processID == 0) { printf("\n"); printf("IMPORTANT WARNING\n"); printf("Found %d %s that %s exactly identical to other sequences in the alignment.\n", count, (count == 1)?"sequence":"sequences", (count == 1)?"is":"are"); printf("Normally they should be excluded from the analysis.\n\n"); fprintf(f, "\n"); fprintf(f, "IMPORTANT WARNING\n"); fprintf(f, "Found %d %s that %s exactly identical to other sequences in the alignment.\n", count, (count == 1)?"sequence":"sequences", (count == 1)?"is":"are"); fprintf(f, "Normally they should be excluded from the analysis.\n\n"); } } if(countUndeterminedColumns > 0) { if(processID == 0) { printf("\n"); printf("IMPORTANT WARNING\n"); printf("Found %d %s that %s only undetermined values which will be treated as missing data.\n", countUndeterminedColumns, (countUndeterminedColumns == 1)?"column":"columns", (countUndeterminedColumns == 1)?"contains":"contain"); printf("Normally these columns should be excluded from the analysis.\n\n"); fprintf(f, "\n"); fprintf(f, "IMPORTANT WARNING\n"); fprintf(f, "Found %d %s that %s only undetermined values which will be treated as missing data.\n", countUndeterminedColumns, (countUndeterminedColumns == 1)?"column":"columns", (countUndeterminedColumns == 1)?"contains":"contain"); fprintf(f, "Normally these columns should be excluded from the analysis.\n\n"); } } strcpy(noDupFile, seq_file); strcat(noDupFile, ".reduced"); strcpy(noDupModels, modelFileName); strcat(noDupModels, ".reduced"); if(processID == 0) { if(adef->useMultipleModel && !filexists(noDupModels) && countUndeterminedColumns) { FILE *newFile = fopen(noDupModels, "w"); printf("\nJust in case you might need it, a mixed model file with \n"); printf("model assignments for undetermined columns removed is printed to file %s\n",noDupModels); fprintf(f, "\nJust in case you might need it, a mixed model file with \n"); fprintf(f, "model assignments for undetermined columns removed is printed to file %s\n",noDupModels); for(i = 0; i < tr->NumberOfModels; i++) { boolean modelStillExists = FALSE; for(j = 1; (j <= rdta->sites) && (!modelStillExists); j++) { if(modelList[j] == i) modelStillExists = TRUE; } if(modelStillExists) { char *protModels[10] = {"DAYHOFF", "DCMUT", "JTT", "MTREV", "WAG", "RTREV", "CPREV", "VT", "BLOSUM62", "MTMAM"}; int k = 1; int lower, upper; int parts = 0; switch(tr->partitionData[i].dataType) { case AA_DATA: { char AAmodel[1024]; strcpy(AAmodel, protModels[tr->partitionData[i].protModels]); if(tr->partitionData[i].protFreqs) strcat(AAmodel, "F"); fprintf(newFile, "%s, ", AAmodel); } break; case DNA_DATA: fprintf(newFile, "DNA, "); break; default: assert(0); } fprintf(newFile, "%s = ", tr->partitionData[i].partitionName); while(k <= rdta->sites) { if(modelList[k] == i) { lower = k; while((modelList[k + 1] == i) && (k <= rdta->sites)) k++; upper = k; if(lower == upper) { if(parts == 0) fprintf(newFile, "%d", lower); else fprintf(newFile, ",%d", lower); } else { if(parts == 0) fprintf(newFile, "%d-%d", lower, upper); else fprintf(newFile, ",%d-%d", lower, upper); } parts++; } k++; } fprintf(newFile, "\n"); } } fclose(newFile); } else { if(adef->useMultipleModel) { printf("\n A mixed model file with model assignments for undetermined\n"); printf("columns removed has already been printed to file %s\n",noDupModels); fprintf(f, "\n A mixed model file with model assignments for undetermined\n"); fprintf(f, "columns removed has already been printed to file %s\n",noDupModels); } } if(!filexists(noDupFile)) { FILE *newFile; printf("Just in case you might need it, an alignment file with \n"); if(count && !countUndeterminedColumns) printf("sequence duplicates removed is printed to file %s\n", noDupFile); if(!count && countUndeterminedColumns) printf("undetermined columns removed is printed to file %s\n", noDupFile); if(count && countUndeterminedColumns) printf("sequence duplicates and undetermined columns removed is printed to file %s\n", noDupFile); fprintf(f, "Just in case you might need it, an alignment file with \n"); if(count && !countUndeterminedColumns) fprintf(f, "sequence duplicates removed is printed to file %s\n", noDupFile); if(!count && countUndeterminedColumns) fprintf(f, "undetermined columns removed is printed to file %s\n", noDupFile); if(count && countUndeterminedColumns) fprintf(f, "sequence duplicates and undetermined columns removed is printed to file %s\n", noDupFile); newFile = fopen(noDupFile, "w"); fprintf(newFile, "%d %d\n", tr->mxtips - count, rdta->sites - countUndeterminedColumns); for(i = 1; i < n; i++) { if(!omissionList[i]) { fprintf(newFile, "%s ", tr->nameList[i]); tipI = &(rdta->y[i][1]); for(j = 0; j < rdta->sites; j++) { if(undeterminedList[j + 1] == 0) { switch(tr->dataVector[j + 1]) { case AA_DATA: fprintf(newFile, "%c", inverseMeaningPROT[tipI[j]]); break; case DNA_DATA: fprintf(newFile, "%c", inverseMeaningDNA[tipI[j]]); break; default: assert(0); } } } fprintf(newFile, "\n"); } } fclose(newFile); } else { if(count && !countUndeterminedColumns) printf("An alignment file with sequence duplicates removed has already\n"); if(!count && countUndeterminedColumns) printf("An alignment file with undetermined columns removed has already\n"); if(count && countUndeterminedColumns) printf("An alignment file with undetermined columns and sequence duplicates removed has already\n"); printf("been printed to file %s\n", noDupFile); if(count && !countUndeterminedColumns) fprintf(f, "An alignment file with sequence duplicates removed has already\n"); if(!count && countUndeterminedColumns) fprintf(f, "An alignment file with undetermined columns removed has already\n"); if(count && countUndeterminedColumns) fprintf(f, "An alignment file with undetermined columns and sequence duplicates removed has already\n"); fprintf(f, "been printed to file %s\n", noDupFile); } } } free(undeterminedList); free(omissionList); free(modelList); if(processID == 0) fclose(f); } static float dist(int i, int j, const int sites, const float nDouble, char **y) { int k, count; char *tipI = &(y[i + 1][1]); char *tipJ = &(y[j + 1][1]); for(k = 0, count = 0; k < sites; k ++) if(tipI[k] == tipJ[k]) count++; return (((float)count) * nDouble); } static void distArray(int i, const int sites, const float nDouble, int n, float *ref, int *omitted, char **y) { int k, l; char *tipI = &(y[i + 1][1]); for(l = 0; l < n; l++) { if((!omitted[l]) && (l != i)) { char *tipJ = &(y[l + 1][1]); int count = 0; for(k = 0, count = 0; k < sites; k ++) if(tipI[k] == tipJ[k]) count++; ref[l] = (((float)count) * nDouble); } } } static int qtCompare(const void *p1, const void *p2) { qtData *rc1 = (qtData *)p1; qtData *rc2 = (qtData *)p2; float i = rc1->val; float j = rc2->val; if (i > j) return (-1); if (i < j) return (1); return (0); } static qtList * clusterQT_LARGE(int n, float thres, int *ccc, rawdata *rdta) { int clusterCount; int i, j; int *omitted, *current, *best; qtList *clusters = (qtList*)NULL; const float nDouble = 1.0 / (float)(rdta->sites); double t = gettime(); const int sites = rdta->sites; char **y = rdta->y; float *ref; qtData *candidates; candidates = (qtData *)malloc(sizeof(qtData) * n); clusters = (qtList *)malloc(sizeof(qtList) * n); omitted = (int*)calloc(n, sizeof(int)); current = (int*)malloc(sizeof(int) * n); best = (int*)malloc(sizeof(int) * n); ref = (float*)malloc(sizeof(float) * n); clusterCount = 0; for(i = 0; i < n; i++) { if(!omitted[i]) { int entCount = 0; int countCandidates = 0; current[entCount++] = i; omitted[i] = 1; distArray(i, sites, nDouble, n, ref, omitted, y); for(j = 0; j < n; j++) { if(!omitted[j] && i != j) { float temp; if((temp = ref[j]) >= thres) { candidates[countCandidates].val = temp; candidates[countCandidates].number = j; countCandidates++; } } } if(countCandidates > 0) { qsort(candidates, countCandidates, sizeof(qtData), qtCompare); for(j = 0; j < countCandidates; j++) { int k; for(k = 0; k < entCount; k++) if(dist(current[k], candidates[j].number, sites, nDouble, y) < thres) break; if(k == entCount) { current[entCount++] = candidates[j].number; omitted[candidates[j].number] = 1; } } } clusters[clusterCount].entries = (int *)malloc(sizeof(int) * entCount); memcpy(clusters[clusterCount].entries, current, entCount * sizeof(int)); clusters[clusterCount++].count = entCount; } } printf("Time %f\n", gettime() - t); printf("FOUND %d Clusters\n", clusterCount); if(1) { int ver = 0; int check = 0; int total = 0; for(i = 0; i < n; i++) ver += i; for(i = 0; i < clusterCount; i++) { { int k; for(j = 0; j < clusters[i].count; j++) for(k = 0; k < clusters[i].count; k++) assert(dist(clusters[i].entries[j], clusters[i].entries[k],sites, nDouble, y) >= thres); } for(j = 0; j < clusters[i].count; j++) { check += clusters[i].entries[j]; total++; } } assert(ver == check); printf("Total: %d\n", total); } for(i = 0; i < clusterCount; i++) { float max = 0.0; int length = clusters[i].count; int pos = -1; int *c = clusters[i].entries; int buf; if(length > 2) { for(j = 0; j < length; j++) { int k; float avg = 0.0; for(k = 0; k < length; k++) { if(j != k) avg += dist(c[j], c[k], sites, nDouble, y); } if(avg > max) { max = avg; pos = j; } } if(pos > 0) { buf = c[0]; c[0] = c[pos]; c[pos] = buf; } } for(j = 0; j < length; j++) c[j] = c[j] + 1; } free(candidates); free(omitted); free(current); free(best); free(ref); *ccc = clusterCount; return clusters; } static qtList * clusterQT(float **d, int n, float thres, int *ccc) { int clusterCount; int i, j; int *omitted, *current, *best; int total = 0; qtList *clusters = (qtList*)NULL; double t = gettime(); clusters = (qtList *)malloc(sizeof(qtList) * n); omitted = (int*)calloc(n, sizeof(int)); current = (int*)malloc(sizeof(int) * n); best = (int*)malloc(sizeof(int) * n); clusterCount = 0; while(1) { int max = -1; int maxPos = -1; for(i = 0; i < n; i++) { if(!omitted[i]) { int entCount = 0; int *inSet = (int *)calloc(n, sizeof(int)); boolean aboveThres = TRUE; current[entCount++] = i; inSet[i] = 1; while(aboveThres) { float dm = -1.0; int dmPos = -1; for(j = 0; j < n; j++) if(i != j && (!omitted[j]) && (!inSet[j]) && d[i][j] > dm) { dm = d[i][j]; dmPos = j; } if(dmPos == -1) aboveThres = FALSE; else { for(j = 0; j < entCount && aboveThres; j++) if(d[current[j]][dmPos] < thres) aboveThres = FALSE; if(aboveThres) { current[entCount++] = dmPos; inSet[dmPos] = 1; } } } if(entCount > max) { max = entCount; maxPos = i; memcpy(best, current, entCount * sizeof(int)); } free(inSet); } } if(maxPos == -1) break; clusters[clusterCount].entries = (int *)malloc(sizeof(int) * max); memcpy(clusters[clusterCount].entries, best, max * sizeof(int)); for(i = 0; i < max; i++) omitted[best[i]] = 1; clusters[clusterCount++].count = max; } printf("Time %f\n", gettime() - t); printf("FOUND %d Clusters\n", clusterCount); if(1) { int ver = 0; int check = 0; for(i = 0; i < n; i++) ver += i; for(i = 0; i < clusterCount; i++) { /*printf("Cluster %d:", i);*/ { int k; for(j = 0; j < clusters[i].count; j++) for(k = 0; k < clusters[i].count; k++) assert(d[clusters[i].entries[j]][clusters[i].entries[k]] >= thres); } for(j = 0; j < clusters[i].count; j++) { check += clusters[i].entries[j]; /*printf("%d ", clusters[i].entries[j]);*/ total++; } /*printf("\n");*/ } assert(ver == check); /*printf("TOTAL: %d\n", total);*/ } for(i = 0; i < clusterCount; i++) { float max = 0.0; int length = clusters[i].count; int pos = -1; int *c = clusters[i].entries; int buf; if(length > 2) { for(j = 0; j < length; j++) { int k; float avg = 0.0; for(k = 0; k < length; k++) { if(j != k) avg += d[c[j]][c[k]]; } if(avg > max) { max = avg; pos = j; } } /*printf("Cluster %d length %d avg %f\n", i, length, max);*/ if(pos > 0) { /*printf("Cluster %d siwtching %d <-> %d\n", i, 0, pos);*/ buf = c[0]; c[0] = c[pos]; c[pos] = buf; } } for(j = 0; j < length; j++) c[j] = c[j] + 1; } free(omitted); free(current); free(best); *ccc = clusterCount; return clusters; } static void reduceBySequenceSimilarity(tree *tr, rawdata *rdta, analdef *adef) { int n = tr->mxtips + 1; int i, j; int *omissionList = (int *)malloc(n * sizeof(int)); int *undeterminedList = (int *)malloc((rdta->sites + 1)* sizeof(int)); int *modelList = (int *)malloc((rdta->sites + 1)* sizeof(int)); int countNameDuplicates = 0; int countUndeterminedColumns = 0; int countOnlyGaps = 0; int modelCounter = 1; char buf[16], outName[1024]; char undetermined_AA = 22; char undetermined_DNA = 15; char *tipI; qtList *clusters = (qtList*)NULL; FILE *f, *assoc; int numberOfClusters = 0; int nonTrivial = 0; strcpy(outName, workdir); strcat(outName, "RAxML_reducedList."); strcat(outName, run_id); if(processID == 0) f = fopen(infoFileName, "a"); else f = (FILE *)NULL; for(i = 1; i < n; i++) omissionList[i] = 0; for(i = 0; i < rdta->sites + 1; i++) undeterminedList[i] = 0; for(i = 1; i < n; i++) { for(j = i + 1; j < n; j++) if(strcmp(tr->nameList[i], tr->nameList[j]) == 0) { countNameDuplicates++; if(processID == 0) { printf("Sequence names of taxon %d and %d are identical, they are both called %s\n", i, j, tr->nameList[i]); fprintf(f, "Sequence names of taxon %d and %d are identical, they are both called %s\n", i, j, tr->nameList[i]); } } } if(countNameDuplicates > 0) { if(processID == 0) { printf("ERROR: Found %d taxa that had equal names in the alignment, exiting...\n", countNameDuplicates); fprintf(f, "ERROR: Found %d taxa that had equal names in the alignment, exiting...\n", countNameDuplicates); fclose(f); } errorExit(-1); } for(i = 1; i < n; i++) { j = 1; while(j <= rdta->sites) { if(tr->dataVector[j] == DNA_DATA && rdta->y[i][j] != undetermined_DNA) break; if(tr->dataVector[j] == AA_DATA && rdta->y[i][j] != undetermined_AA) break; j++; } if(j == (rdta->sites + 1)) { if(processID == 0) { printf("ERROR: Sequence %s consists entirely of undetermined values which will be treated as missing data\n", tr->nameList[i]); fprintf(f, "ERROR: Sequence %s consists entirely of undetermined values which will be treated as missing data\n", tr->nameList[i]); } countOnlyGaps++; } } if(countOnlyGaps > 0) { if(processID == 0) { printf("ERROR: Found %d sequences that consist entirely of undetermined values, exiting...\n", countOnlyGaps); fprintf(f, "ERROR: Found %d sequences that consist entirely of undetermined values, exiting...\n", countOnlyGaps); fclose(f); } errorExit(-1); } for(i = 0; i <= rdta->sites; i++) modelList[i] = -1; for(i = 1; i <= rdta->sites; i++) { j = 1; while(j < n) { if(tr->dataVector[i] == DNA_DATA && rdta->y[j][i] != undetermined_DNA) break; if(tr->dataVector[i] == AA_DATA && rdta->y[j][i] != undetermined_AA) break; j++; } if(j == n) { undeterminedList[i] = 1; if(processID == 0) { printf("IMPORTANT WARNING: Alignment column %d contains only undetermined values which will be treated as missing data\n", i); fprintf(f, "IMPORTANT WARNING: Alignment column %d contains only undetermined values which will be treated as missing data\n", i); } countUndeterminedColumns++; } else { if(adef->useMultipleModel) { modelList[modelCounter] = tr->model[i]; modelCounter++; } } } switch(adef->similarityFilterMode) { case SMALL_DATA: { float **d; int n = tr->mxtips; int i, j; double t = gettime(); float nDouble = 1.0 / (float)(rdta->sites); int sites = rdta->sites; char *tipI, *tipJ; d = (float **)malloc(sizeof(float *) * n); for(i = 0; i < n; i++) d[i] = (float *)malloc(sizeof(float) * n); for(i = 0; i < n; i++) { d[i][i] = 1.0; tipI = &(rdta->y[i + 1][1]); for(j = i + 1; j < n; j++) { int k; int count = 0; tipJ = &(rdta->y[j + 1][1]); for(k = 0; k < sites; k++) if(tipJ[k] == tipI[k]) count++; d[i][j] = ((float)count * nDouble); d[j][i] = d[i][j]; } } printf("DistMat %f\n", gettime() - t); t = gettime(); clusters = clusterQT(d, n, (float)(adef->sequenceSimilarity), &numberOfClusters); printf("QT %f %d\n", gettime() - t, numberOfClusters); } break; case LARGE_DATA: { double t; t = gettime(); clusters = clusterQT_LARGE(tr->mxtips, (float)(adef->sequenceSimilarity), &numberOfClusters, rdta); printf("QT %f %d\n", gettime() - t, numberOfClusters); } break; default: assert(0); } assoc = fopen(outName, "w"); for(i = 0; i < numberOfClusters; i++) { int length = clusters[i].count; int *c = clusters[i].entries; int j; if(length > 1) { fprintf(assoc, "%s:%s", tr->nameList[c[0]], tr->nameList[c[1]]); for(j = 2; j < length; j++) fprintf(assoc, ",%s", tr->nameList[c[j]]); fprintf(assoc, "\n"); nonTrivial++; } } fclose(assoc); if(nonTrivial > 0 || countUndeterminedColumns > 0) { char noDupFile[2048]; char noDupModels[2048]; if(nonTrivial > 0) { if(processID == 0) { printf("\n"); printf("Found %d non-trival clusters, reduction to %d sequences\n", nonTrivial, numberOfClusters); fprintf(f, "\n"); fprintf(f, "Found %d non-trival clusters, reduction to %d sequences\n", nonTrivial, numberOfClusters); } } if(countUndeterminedColumns > 0) { if(processID == 0) { printf("\n"); printf("IMPORTANT WARNING\n"); printf("Found %d %s that %s only undetermined values which will be treated as missing data.\n", countUndeterminedColumns, (countUndeterminedColumns == 1)?"column":"columns", (countUndeterminedColumns == 1)?"contains":"contain"); printf("Normally these columns should be excluded from the analysis.\n\n"); fprintf(f, "\n"); fprintf(f, "IMPORTANT WARNING\n"); fprintf(f, "Found %d %s that %s only undetermined values which will be treated as missing data.\n", countUndeterminedColumns, (countUndeterminedColumns == 1)?"column":"columns", (countUndeterminedColumns == 1)?"contains":"contain"); fprintf(f, "Normally these columns should be excluded from the analysis.\n\n"); } } sprintf(buf, "%f", adef->sequenceSimilarity); strcpy(noDupFile, seq_file); strcat(noDupFile, ".reducedBy."); strcat(noDupFile, buf); strcpy(noDupModels, modelFileName); strcat(noDupModels, ".reducedBy."); strcat(noDupModels, buf); if(processID == 0) { if(adef->useMultipleModel && !filexists(noDupModels) && countUndeterminedColumns) { FILE *newFile = fopen(noDupModels, "w"); printf("\nJust in case you might need it, a mixed model file with \n"); printf("model assignments for undetermined columns removed is printed to file %s\n",noDupModels); fprintf(f, "\nJust in case you might need it, a mixed model file with \n"); fprintf(f, "model assignments for undetermined columns removed is printed to file %s\n",noDupModels); for(i = 0; i < tr->NumberOfModels; i++) { boolean modelStillExists = FALSE; for(j = 1; (j <= rdta->sites) && (!modelStillExists); j++) { if(modelList[j] == i) modelStillExists = TRUE; } if(modelStillExists) { char *protModels[10] = {"DAYHOFF", "DCMUT", "JTT", "MTREV", "WAG", "RTREV", "CPREV", "VT", "BLOSUM62", "MTMAM"}; int k = 1; int lower, upper; int parts = 0; switch(tr->partitionData[i].dataType) { case AA_DATA: { char AAmodel[1024]; strcpy(AAmodel, protModels[tr->partitionData[i].protModels]); if(tr->partitionData[i].protFreqs) strcat(AAmodel, "F"); fprintf(newFile, "%s, ", AAmodel); } break; case DNA_DATA: fprintf(newFile, "DNA, "); break; default: assert(0); } fprintf(newFile, "%s = ", tr->partitionData[i].partitionName); while(k <= rdta->sites) { if(modelList[k] == i) { lower = k; while((modelList[k + 1] == i) && (k <= rdta->sites)) k++; upper = k; if(lower == upper) { if(parts == 0) fprintf(newFile, "%d", lower); else fprintf(newFile, ",%d", lower); } else { if(parts == 0) fprintf(newFile, "%d-%d", lower, upper); else fprintf(newFile, ",%d-%d", lower, upper); } parts++; } k++; } fprintf(newFile, "\n"); } } fclose(newFile); } else { if(adef->useMultipleModel) { printf("\n A mixed model file with model assignments for undetermined\n"); printf("columns removed has already been printed to file %s\n",noDupModels); fprintf(f, "\n A mixed model file with model assignments for undetermined\n"); fprintf(f, "columns removed has already been printed to file %s\n",noDupModels); } } if(!filexists(noDupFile)) { FILE *newFile; printf("Just in case you might need it, an alignment file with \n"); if(nonTrivial && !countUndeterminedColumns) printf("similar sequences removed is printed to file %s\n", noDupFile); if(!nonTrivial && countUndeterminedColumns) printf("undetermined columns removed is printed to file %s\n", noDupFile); if(nonTrivial && countUndeterminedColumns) printf("similar sequences and undetermined columns removed is printed to file %s\n", noDupFile); fprintf(f, "Just in case you might need it, an alignment file with \n"); if(nonTrivial && !countUndeterminedColumns) fprintf(f, "similar sequences removed is printed to file %s\n", noDupFile); if(!nonTrivial && countUndeterminedColumns) fprintf(f, "undetermined columns removed is printed to file %s\n", noDupFile); if(nonTrivial && countUndeterminedColumns) fprintf(f, "similar sequences and undetermined columns removed is printed to file %s\n", noDupFile); newFile = fopen(noDupFile, "w"); fprintf(newFile, "%d %d\n", numberOfClusters, rdta->sites - countUndeterminedColumns); for(i = 0; i < numberOfClusters; i++) { fprintf(newFile, "%s ", tr->nameList[clusters[i].entries[0]]); tipI = &(rdta->y[clusters[i].entries[0]][1]); for(j = 0; j < rdta->sites; j++) { if(undeterminedList[j + 1] == 0) { switch(tr->dataVector[j + 1]) { case AA_DATA: fprintf(newFile, "%c", inverseMeaningPROT[tipI[j]]); break; case DNA_DATA: fprintf(newFile, "%c", inverseMeaningDNA[tipI[j]]); break; default: assert(0); } } } fprintf(newFile, "\n"); } fclose(newFile); } else { if(nonTrivial && !countUndeterminedColumns) printf("An alignment file with similar sequences removed has already\n"); if(!nonTrivial && countUndeterminedColumns) printf("An alignment file with undetermined columns removed has already\n"); if(nonTrivial && countUndeterminedColumns) printf("An alignment file with undetermined columns and similar sequences removed has already\n"); printf("been printed to file %s\n", noDupFile); if(nonTrivial && !countUndeterminedColumns) fprintf(f, "An alignment file with similar sequences removed has already\n"); if(!nonTrivial && countUndeterminedColumns) fprintf(f, "An alignment file with undetermined columns removed has already\n"); if(nonTrivial && countUndeterminedColumns) fprintf(f, "An alignment file with undetermined columns and similar sequences removed has already\n"); fprintf(f, "been printed to file %s\n", noDupFile); } } } free(undeterminedList); free(omissionList); free(modelList); if(processID == 0) fclose(f); } static void generateBS(tree *tr, analdef *adef) { int i, j, k, w; int count; char outName[1024], buf[16]; FILE *of; assert(adef->boot != 0); for(i = 0; i < adef->multipleRuns; i++) { makeboot(adef, tr); count = 0; for(j = 0; j < tr->cdta->endsite; j++) count += tr->cdta->aliaswgt[j]; assert(count == tr->rdta->sites); strcpy(outName, workdir); strcat(outName, seq_file); strcat(outName, ".BS"); sprintf(buf, "%d", i); strcat(outName, buf); printf("Printing replicate %d to %s\n", i, outName); of = fopen(outName, "w"); fprintf(of, "%d %d\n", tr->mxtips, count); for(j = 1; j <= tr->mxtips; j++) { char *tip = tr->yVector[tr->nodep[j]->number]; fprintf(of, "%s ", tr->nameList[j]); for(k = 0; k < tr->cdta->endsite; k++) { switch(tr->dataVector[k]) { case DNA_DATA: for(w = 0; w < tr->cdta->aliaswgt[k]; w++) fprintf(of, "%c", inverseMeaningDNA[tip[k]]); break; case AA_DATA: for(w = 0; w < tr->cdta->aliaswgt[k]; w++) fprintf(of, "%c", inverseMeaningPROT[tip[k]]); break; default: assert(0); } } fprintf(of, "\n"); } fclose(of); } } static void splitMultiGene(tree *tr, rawdata *rdta) { int i, l; int n = rdta->sites + 1; int *modelFilter = (int *)malloc(sizeof(int) * n); int length, k; char *tip; FILE *outf; char outFileName[2048]; char buf[16]; for(i = 0; i < tr->NumberOfModels; i++) { strcpy(outFileName, seq_file); sprintf(buf, "%d", i); strcat(outFileName, ".GENE."); strcat(outFileName, buf); outf = fopen(outFileName, "w"); length = 0; for(k = 1; k < n; k++) { if(tr->model[k] == i) { modelFilter[k] = 1; length++; } else modelFilter[k] = -1; } fprintf(outf, "%d %d\n", rdta->numsp, length); for(l = 1; l <= rdta->numsp; l++) { fprintf(outf, "%s ", tr->nameList[l]); tip = &(rdta->y[l][0]); for(k = 1; k < n; k++) { if(modelFilter[k] == 1) { switch(tr->dataVector[k]) { case AA_DATA: fprintf(outf, "%c", inverseMeaningPROT[tip[k]]); break; case DNA_DATA: fprintf(outf, "%c", inverseMeaningDNA[tip[k]]); break; default: assert(0); } } } fprintf(outf, "\n"); } fclose(outf); printf("Wrote individual gene/partition alignment to file %s\n", outFileName); } free(modelFilter); printf("Wrote all %d individual gene/partition alignments\n", tr->NumberOfModels); printf("Exiting normally\n"); } void calculateModelOffsets(tree *tr) { int i, patterns, currentOffset = 0, dnaSpan, aaSpan; switch(tr->rateHetModel) { case CAT: dnaSpan = 4; aaSpan = 20; break; case GAMMA: case GAMMA_I: dnaSpan = 16; aaSpan = 80; break; default: assert(0); } tr->partitionData[0].modelOffset = currentOffset; for(i = 1; i < tr->NumberOfModels; i++) { patterns = tr->partitionData[i - 1].upper - tr->partitionData[i - 1].lower; switch(tr->partitionData[i - 1].dataType) { case AA_DATA: currentOffset += aaSpan * patterns; break; case DNA_DATA: currentOffset += dnaSpan * patterns; break; default: assert(0); } tr->partitionData[i].modelOffset = currentOffset; } } void allocNodex (tree *tr, analdef *adef) { nodeptr p; int i; assert(tr->expArray == (int*)NULL); assert(tr->likelihoodArray == (double*)NULL); assert(tr->sumBuffer == (double *)NULL); #ifdef _LOCAL_DATA tr->currentModel = adef->model; masterBarrier(THREAD_ALLOC_LIKELIHOOD, tr); #else { int span; tr->expArray = (int *)malloc(tr->cdta->endsite * tr->mxtips * sizeof(int)); if(tr->mixedData) { tr->numberOfProteinPositions = 0; tr->numberOfNucleotidePositions = 0; for(i = 0; i < tr->cdta->endsite; i++) { switch(tr->dataVector[i]) { case AA_DATA: tr->numberOfProteinPositions++; break; case DNA_DATA: tr->numberOfNucleotidePositions++; break; default: assert(0); } } switch(adef->model) { case M_PROTCAT: case M_GTRCAT: span = tr->numberOfNucleotidePositions * 4 + tr->numberOfProteinPositions * 20; tr->likelihoodArray = (double *)malloc(tr->mxtips * span * sizeof(double)); tr->sumBuffer = (double *)malloc(span * sizeof(double)); break; case M_PROTGAMMA: case M_GTRGAMMA: span = tr->numberOfNucleotidePositions * 16 + tr->numberOfProteinPositions * 80; tr->likelihoodArray = (double *)malloc(tr->mxtips * span * sizeof(double)); tr->sumBuffer = (double *)malloc(span * sizeof(double)); break; default: assert(0); } calculateModelOffsets(tr); /*printf("DNA %d AA %d\n", tr->numberOfNucleotidePositions, tr->numberOfProteinPositions); */ } else { switch(adef->model) { case M_PROTCAT: span = 20 * tr->cdta->endsite; tr->likelihoodArray = (double *)malloc(span * tr->mxtips * sizeof(double)); tr->sumBuffer = (double *)malloc(span * sizeof(double)); break; case M_PROTGAMMA: span = 80 * tr->cdta->endsite; tr->likelihoodArray = (double *)malloc(span * tr->mxtips * sizeof(double)); tr->sumBuffer = (double *)malloc(span * sizeof(double)); break; case M_GTRGAMMA: span = 16 * tr->cdta->endsite; tr->likelihoodArray = (double *)malloc(span * tr->mxtips * sizeof(double)); tr->sumBuffer = (double *)malloc(span * sizeof(double)); break; case M_GTRCAT: span = 4 * tr->cdta->endsite; tr->likelihoodArray = (double *)malloc(span * tr->mxtips * sizeof(double)); tr->sumBuffer = (double *)malloc(span * sizeof(double)); break; default: assert(0); } } for(i = 0; i < tr->mxtips; i++) tr->xVector[i] = &(tr->likelihoodArray[i * span]); } #endif for (i = tr->mxtips + 1; (i <= 2*(tr->mxtips) - 2); i++) { p = tr->nodep[i]; p->x = 1; } } void freeNodex(tree *tr) { nodeptr p; int i; #ifdef _LOCAL_DATA masterBarrier(THREAD_FREE_LIKELIHOOD, tr); #else free(tr->expArray); free(tr->likelihoodArray); free(tr->sumBuffer); tr->expArray = (int*)NULL; tr->likelihoodArray = (double*)NULL; tr->sumBuffer = (double*)NULL; #endif for (i = tr->mxtips + 1; (i <= 2*(tr->mxtips) - 2); i++) { p = tr->nodep[i]; while(!p->x) p = p->next; p->x = 0; p->next->x = 0; p->next->next->x = 0; } } static void initAdef(analdef *adef) { adef->bootstrapBranchLengths = FALSE; adef->model = M_GTRCAT; adef->max_rearrange = 21; adef->stepwidth = 5; adef->initial = adef->bestTrav = 10; adef->initialSet = FALSE; adef->restart = FALSE; adef->mode = BIG_RAPID_MODE; adef->categories = 25; adef->boot = 0; adef->rapidBoot = 0; adef->useWeightFile = FALSE; adef->checkpoints = 0; adef->startingTreeOnly = 0; adef->useMixedModel = 0; adef->multipleRuns = 1; adef->useMultipleModel = FALSE; adef->likelihoodEpsilon = 0.1; adef->constraint = FALSE; adef->grouping = FALSE; adef->randomStartingTree = FALSE; adef->categorizeGamma = FALSE; adef->parsimonySeed = 0; adef->proteinMatrix = JTT; adef->protEmpiricalFreqs = 0; adef->outgroup = FALSE; adef->useInvariant = FALSE; adef->sequenceSimilarity = 1.0; adef->permuteTreeoptimize = FALSE; adef->useInvariant = FALSE; adef->allInOne = FALSE; adef->multiBoot = 0; adef->likelihoodTest = FALSE; adef->reallyThoroughBoot = FALSE; adef->perGeneBranchLengths = FALSE; adef->treeLength = FALSE; adef->computePerSiteLLs = FALSE; adef->generateBS = FALSE; adef->bootStopOnly = 0; adef->bootStopping = FALSE; adef->gapyness = 0.0; adef->similarityFilterMode = 0; adef->bootstopCutoff = 0.0; adef->useExcludeFile = FALSE; adef->userProteinModel = FALSE; adef->externalAAMatrix = (double*)NULL; adef->rapidML_Addition = FALSE; adef->computeELW = FALSE; #ifdef _VINCENT adef->optimizeBSmodel = TRUE; #endif } static int modelExists(char *model, analdef *adef) { int i; char *protModels[10] = {"DAYHOFF", "DCMUT", "JTT", "MTREV", "WAG", "RTREV", "CPREV", "VT", "BLOSUM62", "MTMAM"}; char thisModel[1024]; /*********** DNA **********************/ if(strcmp(model, "GTRGAMMAI\0") == 0) { adef->model = M_GTRGAMMA; adef->useInvariant = TRUE; return 1; } if(strcmp(model, "GTRGAMMA\0") == 0) { adef->model = M_GTRGAMMA; return 1; } if(strcmp(model, "GTRCAT\0") == 0) { adef->model = M_GTRCAT; return 1; } if(strcmp(model, "GTRMIX\0") == 0) { adef->model = M_GTRCAT; adef->useMixedModel = 1; return 1; } if(strcmp(model, "GTRMIXI\0") == 0) { adef->model = M_GTRCAT; adef->useMixedModel = 1; adef->useInvariant = TRUE; return 1; } if(strcmp(model, "GTRCAT_GAMMA\0") == 0) { adef->model = M_GTRCAT; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; return 1; } if(strcmp(model, "GTRCAT_GAMMAI\0") == 0) { adef->model = M_GTRCAT; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; adef->useInvariant = TRUE; return 1; } /*************** AA GTR ********************/ if(strcmp(model, "PROTCATGTR\0") == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = GTR; return 1; } if(strcmp(model, "PROTMIXGTR\0") == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = GTR; adef->useMixedModel = 1; return 1; } if(strcmp(model, "PROTGAMMAGTR\0") == 0) { adef->model = M_PROTGAMMA; adef->proteinMatrix = GTR; return 1; } if(strcmp(model, "PROTCAT_GAMMAGTR\0") == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = GTR; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; return 1; } if(strcmp(model, "PROTCAT_GAMMAIGTR\0") == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = GTR; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; adef->useInvariant = TRUE; return 1; } /****************** AA ************************/ for(i = 0; i < 10; i++) { /* check CAT */ strcpy(thisModel, "PROTCAT"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = i; return 1; } /* check CATF */ strcpy(thisModel, "PROTCAT"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = i; adef->protEmpiricalFreqs = 1; return 1; } /****************check MIX ************************/ strcpy(thisModel, "PROTMIX"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = i; adef->useMixedModel = 1; return 1; } /*check MIXI */ strcpy(thisModel, "PROTMIXI"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = i; adef->useMixedModel = 1; adef->useInvariant = TRUE; return 1; } /* check MIXmodelF */ strcpy(thisModel, "PROTMIX"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = i; adef->useMixedModel = 1; adef->protEmpiricalFreqs = 1; return 1; } /* check MIXImodelF */ strcpy(thisModel, "PROTMIXI"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->proteinMatrix = i; adef->useMixedModel = 1; adef->protEmpiricalFreqs = 1; adef->useInvariant = TRUE; return 1; } /****************check GAMMA ************************/ strcpy(thisModel, "PROTGAMMA"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTGAMMA; adef->proteinMatrix = i; return 1; } /*check GAMMAI*/ strcpy(thisModel, "PROTGAMMAI"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTGAMMA; adef->proteinMatrix = i; adef->useInvariant = TRUE; return 1; } /* check GAMMAmodelF */ strcpy(thisModel, "PROTGAMMA"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTGAMMA; adef->proteinMatrix = i; adef->protEmpiricalFreqs = 1; return 1; } /* check GAMMAImodelF */ strcpy(thisModel, "PROTGAMMAI"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTGAMMA; adef->proteinMatrix = i; adef->protEmpiricalFreqs = 1; adef->useInvariant = TRUE; return 1; } /****************check CAT_GAMMA ************************/ strcpy(thisModel, "PROTCAT_GAMMA"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; adef->proteinMatrix = i; return 1; } /* check CAT_GAMMAI */ strcpy(thisModel, "PROTCAT_GAMMAI"); strcat(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; adef->proteinMatrix = i; adef->useInvariant = TRUE; return 1; } /* check CAT_GAMMAmodelF */ strcpy(thisModel, "PROTCAT_GAMMA"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; adef->proteinMatrix = i; adef->protEmpiricalFreqs = 1; return 1; } /*check CAT_GAMMAImodelF */ strcpy(thisModel, "PROTCAT_GAMMAI"); strcat(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { adef->model = M_PROTCAT; adef->useMixedModel = 1; adef->categorizeGamma = TRUE; adef->proteinMatrix = i; adef->protEmpiricalFreqs = 1; adef->useInvariant = TRUE; return 1; } } /*********************************************************************************/ return 0; } static int mygetopt(int argc, char **argv, char *opts, int *optind, char **optarg) { static int sp = 1; register int c; register char *cp; if(sp == 1) { if(*optind >= argc || argv[*optind][0] != '-' || argv[*optind][1] == '\0') return -1; } else { if(strcmp(argv[*optind], "--") == 0) { *optind = *optind + 1; return -1; } } c = argv[*optind][sp]; if(c == ':' || (cp=strchr(opts, c)) == 0) { printf(": illegal option -- %c \n", c); if(argv[*optind][++sp] == '\0') { *optind = *optind + 1; sp = 1; } return('?'); } if(*++cp == ':') { if(argv[*optind][sp+1] != '\0') { *optarg = &argv[*optind][sp+1]; *optind = *optind + 1; } else { *optind = *optind + 1; if(*optind >= argc) { printf(": option requires an argument -- %c\n", c); sp = 1; return('?'); } else { *optarg = argv[*optind]; *optind = *optind + 1; } } sp = 1; } else { if(argv[*optind][++sp] == '\0') { sp = 1; *optind = *optind + 1; } *optarg = 0; } return(c); } static void checkOutgroups(tree *tr, analdef *adef) { if(adef->outgroup) { boolean found; int i, j; if(tr->numberOfOutgroups != 1 && adef->mode == MEHRING_ALGO) { printf("Error, you must specify exactly one sequence via \"-o\" to \n"); printf("to run the sequence position determination algorithm\n"); exit(-1); } for(j = 0; j < tr->numberOfOutgroups; j++) { found = FALSE; for(i = 1; (i <= tr->mxtips) && !found; i++) { if(strcmp(tr->nameList[i], tr->outgroups[j]) == 0) { tr->outgroupNums[j] = i; found = TRUE; } } if(!found) { printf("Error, the outgroup name \"%s\" you specified can not be found in the alignment, exiting ....\n", tr->outgroups[j]); errorExit(-1); } } } } static void parseOutgroups(char outgr[2048], tree *tr) { int count = 1, i, k; char name[nmlngth]; i = 0; while(outgr[i] != '\0') { if(outgr[i] == ',') count++; i++; } tr->numberOfOutgroups = count; tr->outgroups = (char **)malloc(sizeof(char *) * count); for(i = 0; i < tr->numberOfOutgroups; i++) tr->outgroups[i] = (char *)malloc(sizeof(char) * nmlngth); tr->outgroupNums = (int *)malloc(sizeof(int) * count); i = 0; k = 0; count = 0; while(outgr[i] != '\0') { if(outgr[i] == ',') { name[k] = '\0'; strcpy(tr->outgroups[count], name); count++; k = 0; } else { name[k] = outgr[i]; k++; } i++; } name[k] = '\0'; strcpy(tr->outgroups[count], name); /*for(i = 0; i < tr->numberOfOutgroups; i++) printf("%d %s \n", i, tr->outgroups[i]);*/ /*printf("%s \n", name);*/ } /*********************************** OUTGROUP STUFF END *********************************************************/ static void printVersionInfo(void) { printf("\nThis is %s version %s released by Alexandros Stamatakis in %s\n\n", programName, programVersion, programDate); } static void printMinusFUsage(void) { printf("\n"); printf(" \"-f a\": rapid Bootstrap analysis and search for best-scoring ML tree in one program run\n"); printf(" \"-f b\": draw bipartition information on a tree provided with \"-t\" based on multiple trees\n"); printf(" (e.g. form a bootstrap) in a file specifed by \"-z\"\n"); printf(" \"-f c\": check if the alignment can be properly read by RAxML\n"); printf(" \"-f d\": new rapid hill-climbing \n"); printf(" \"-f e\": optimize model+branch lengths for given input tree under GAMMA/GAMMAI only\n"); /*printf(" \"-f f\": optimize individual per-site evolutionary rates on a fixed input tree and compute sliding window tree lengths\n");*/ printf(" \"-f g\": compute per site log Likelihoods for one ore more trees passed via\n"); printf(" \"-z\" and write them to a file that can be read by CONSEL\n"); printf(" \"-f h\": compute log likelihood test (SH-test) between best tree passed via \"-t\"\n"); printf(" and a bunch of other trees passed via \"-z\" \n"); printf(" \"-f i\": perform a really thorough bootstrap, refinement of final BS tree under GAMMA and a\n"); printf(" more exhaustive algorithm\n"); printf(" \"-f j\": generate a bunch of bootstrapped alignment files from an original alignemnt file\n"); /* printf(" \"-f k\": \n"); */ printf(" \"-f m\": Compare bipartitions between two bunches of trees passed via \"-t\" and \"-z\" \n"); printf(" respectively. This will return the Pearson correlation between all bipartitions found\n"); printf(" in the two tree files. A file called RAxML_bipartitionFrequencies.outpuFileName\n"); printf(" will be printed that contains the pair-wise bipartition frequencies of the two sets\n"); printf(" \"-f n\": Compute the log likelihood score of all trees contained in a tree file provided by\n"); printf(" \"-z\" under GAMMA or GAMMA+P-Invar\n"); printf(" \"-f o\": old and slower rapid hill-climbing \n"); printf(" \"-f p\": perform pure stepwise MP addition of new sequences to an incomplete starting tree\n"); /* printf(" \"-f r\": optimize individual per-site evolutionary rates on a fixed input tree\n");*/ printf(" \"-f s\": split up a multi-gene partitioned alignment into the respective subalignments \n"); printf(" \"-f t\": do randomized tree searches on one fixed starting tree\n"); printf(" \"-f w\": compute ELW test on a bunch of trees passed via \"-z\" \n"); printf("\n"); printf(" DEFAULT: new rapid hill climbing\n"); printf("\n"); } static void printREADME(void) { printVersionInfo(); printf("\n"); printf("Please also consult the RAxML-manual\n"); printf("To report bugs send an email to Alexandros.Stamatakis@epfl.ch\n\n\n"); printf("raxmlHPC[-MPI|-PTHREADS] -s sequenceFileName -n outputFileName -m substitutionModel\n"); printf(" [-a weightFileName] [-b bootstrapRandomNumberSeed] [-c numberOfCategories]\n"); printf(" [-d] [-e likelihoodEpsilon] [-E excludeFileName] [-f a|b|c|d|e|g|h|i|j|m|n|o|p|s|t|w]\n"); printf(" [-g groupingFileName] [-h] [-i initialRearrangementSetting] [-j] [-k] \n"); printf(" [-l sequenceSimilarityThreshold] [-L sequenceSimilarityThreshold] [-M]\n"); printf(" [-o outGroupName1[,outGroupName2[,...]]] [-p parsimonyRandomSeed] [-P proteinModel]\n"); printf(" [-q multipleModelFileName] [-r binaryConstraintTree] [-t userStartingTree]\n"); printf(" [-T numberOfThreads] [-u multiBootstrapSearches] [-v][-w workingDirectory]\n"); printf(" [-x rapidBootstrapRandomNumberSeed][-y][-z multipleTreesFile] [-#|-N numberOfRuns]\n"); printf("\n"); printf(" -a Specify a column weight file name to assign individual weights to each column of \n"); printf(" the alignment. Those weights must be integers separated by any type and number \n"); printf(" of whitespaces whithin a separate file, see file \"example_weights\" for an example.\n"); printf("\n"); printf(" -b Specify an integer number (random seed) and turn on bootstrapping\n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -c Specify number of distinct rate catgories for RAxML when modelOfEvolution\n"); printf(" is set to GTRCAT or GTRMIX\n"); printf(" Individual per-site rates are categorized into numberOfCategories rate \n"); printf(" categories to accelerate computations. \n"); printf("\n"); printf(" DEFAULT: 25\n"); printf("\n"); printf(" -d start ML optimization from random starting tree \n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -e set model optimization precision in log likelihood units for final\n"); printf(" optimization of tree topology under MIX/MIXI or GAMMA/GAMMAI\n"); printf("\n"); printf(" DEFAULT: 0.1 for models not using proportion of invariant sites estimate\n"); printf(" 0.001 for models using proportion of invariant sites estimate\n"); printf("\n"); printf(" -E specify an exclude file name, that contains a specification of alignment positions you wish to exclude.\n"); printf(" Format is similar to Nexus, the file shall contain entries like \"100-200 300-400\", to exclude a\n"); printf(" single column write, e.g., \"100-100\", if you use a mixed model, an appropriatly adapted model file\n"); printf(" will be written.\n"); printf("\n"); printf(" -f select algorithm:\n"); printMinusFUsage(); printf("\n"); printf(" -g specify the file name of a multifurcating constraint tree\n"); printf(" this tree does not need to be comprehensive, i.e. must not contain all taxa\n"); printf("\n"); printf(" -h Display this help message.\n"); printf("\n"); printf(" -i Initial rearrangement setting for the subsequent application of topological \n"); printf(" changes phase\n"); printf("\n"); printf(" DEFAULT: determined by program\n"); printf("\n"); printf(" -j Specifies if checkpoints will be written by the program. If checkpoints \n"); printf(" (intermediate tree topologies) shall be written by the program specify \"-j\"\n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -k Specifies that bootstrapped trees should be printed with branch lengths.\n"); printf(" The bootstraps will run a bit longer, because model parameters will be optimized\n"); printf(" at the end of each run. Use with CATMIX/PROTMIX or GAMMA/GAMMAI.\n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -l Specify a threshold for sequence similarity clustering. RAxML will then print out an alignment\n"); printf(" to a file called sequenceFileName.reducedBy.threshold that only contains sequences <= the\n"); printf(" specified thresold that must be between 0.0 and 1.0. RAxML uses the QT-clustering algorithm \n"); printf(" to perform this task. In addition, a file called RAxML_reducedList.outputFileName will be written\n"); printf(" that contains clustering information.\n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -L Same functionality as \"-l\" above, but uses a less exhasutive and thus faster clustering algorithm\n"); printf(" This is intended for very large datasets with more than 20,000-30,000 sequences\n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -m Model of Nucleotide or Amino Acid Substitution: \n"); printf("\n"); printf(" NUCLEOTIDES:\n\n"); printf(" \"-m GTRCAT\" : GTR + Optimization of substitution rates + Optimization of site-specific\n"); printf(" evolutionary rates which are categorized into numberOfCategories distinct \n"); printf(" rate categories for greater computational efficiency\n"); printf(" if you do a multiple analysis with \"-#\" or \"-N\" but without bootstrapping the program\n"); printf(" will use GTRMIX instead\n"); printf(" \"-m GTRGAMMA\" : GTR + Optimization of substitution rates + GAMMA model of rate \n"); printf(" heterogeneity (alpha parameter will be estimated)\n"); printf(" \"-m GTRMIX\" : Inference of the tree under GTRCAT\n"); printf(" and thereafter evaluation of the final tree topology under GTRGAMMA\n"); printf(" \"-m GTRCAT_GAMMA\" : Inference of the tree with site-specific evolutionary rates.\n"); printf(" However, here rates are categorized using the 4 discrete GAMMA rates.\n"); printf(" Evaluation of the final tree topology under GTRGAMMA\n"); printf(" \"-m GTRGAMMAI\" : Same as GTRGAMMA, but with estimate of proportion of invariable sites \n"); printf(" \"-m GTRMIXI\" : Same as GTRMIX, but with estimate of proportion of invariable sites \n"); printf(" \"-m GTRCAT_GAMMAI\" : Same as GTRCAT_GAMMA, but with estimate of proportion of invariable sites \n"); printf("\n"); printf(" AMINO ACIDS:\n\n"); printf(" \"-m PROTCATmatrixName[F]\" : specified AA matrix + Optimization of substitution rates + Optimization of site-specific\n"); printf(" evolutionary rates which are categorized into numberOfCategories distinct \n"); printf(" rate categories for greater computational efficiency\n"); printf(" if you do a multiple analysis with \"-#\" or \"-N\" but without bootstrapping the program\n"); printf(" will use PROTMIX... instead\n"); printf(" \"-m PROTGAMMAmatrixName[F]\" : specified AA matrix + Optimization of substitution rates + GAMMA model of rate \n"); printf(" heterogeneity (alpha parameter will be estimated)\n"); printf(" \"-m PROTMIXmatrixName[F]\" : Inference of the tree under specified AA matrix + CAT\n"); printf(" and thereafter evaluation of the final tree topology under specified AA matrix + GAMMA\n"); printf(" \"-m PROTCAT_GAMMAmatrixName[F]\" : Inference of the tree under specified AA matrix and site-specific evolutionary rates.\n"); printf(" However, here rates are categorized using the 4 discrete GAMMA rates.\n"); printf(" Evaluation of the final tree topology under specified AA matrix + GAMMA\n"); printf(" \"-m PROTGAMMAImatrixName[F]\" : Same as PROTGAMMAmatrixName[F], but with estimate of proportion of invariable sites \n"); printf(" \"-m PROTMIXImatrixName[F]\" : Same as PROTMIXmatrixName[F], but with estimate of proportion of invariable sites \n"); printf(" \"-m PROTCAT_GAMMAImatrixName[F]\" : Same as PROTCAT_GAMMAmatrixName[F], but with estimate of proportion of invariable sites \n"); printf("\n"); printf(" Available AA substitution models: DAYHOFF, DCMUT, JTT, MTREV, WAG, RTREV, CPREV, VT, BLOSUM62, MTMAM, GTR\n"); printf(" With the optional \"F\" appendix you can specify if you want to use empirical base frequencies\n"); printf(" Please not that for mixed models you can in addition specify the per-gene AA model in\n"); printf(" the mixed model file (see manual for details)\n"); printf("\n"); printf(" -M Switch on estimation of individual per-partition branch lengths. Only has effect when used in combination with \"-q\"\n"); printf(" Branch lengths for individual partitions will be printed to separate files\n"); printf(" A weighted average of the branch lengths is computed by using the respective partition lengths\n"); printf("\n"), printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -n Specifies the name of the output file.\n"); printf("\n"); printf(" -o Specify the name of a single outgrpoup or a comma-separated list of outgroups, eg \"-o Rat\" \n"); printf(" or \"-o Rat,Mouse\", in case that multiple outgroups are not monophyletic the first name \n"); printf(" in the list will be selected as outgroup, don't leave spaces between taxon names!\n"); printf("\n"); printf(" -q Specify the file name which contains the assignment of models to alignment\n"); printf(" partitions for multiple models of substitution. For the syntax of this file\n"); printf(" please consult the manual.\n"); printf("\n"); printf(" -p Specify a random number seed for the parsimony inferences. This allows you to reproduce your results\n"); printf(" and will help me debug the program. This option HAS NO EFFECT in the parallel MPI version\n"); printf("\n"); printf(" -P Specify the file name of a user-defined AA (Protein) substitution model. This file must contain\n"); printf(" 420 entries, the first 400 being the AA substitution rates (this must be a symmetric matrix) and the\n"); printf(" last 20 are the empirical base frequencies\n"); printf("\n"); printf(" -r Specify the file name of a binary constraint tree.\n"); printf(" this tree does not need to be comprehensive, i.e. must not contain all taxa\n"); printf("\n"); printf(" -s Specify the name of the alignment data file in PHYLIP format\n"); printf("\n"); printf(" -t Specify a user starting tree file name in Newick format\n"); printf("\n"); printf(" -T PTHREADS VERSION ONLY! Specify the number of threads you want to run.\n"); printf(" Make sure to set \"-T\" to at most the number of CPUs you have on your machine,\n"); printf(" otherwise, there will be a huge performance decrease!\n"); printf("\n"); printf(" -u Specify the number of multiple BS searches per replicate\n"); printf(" to obtain better ML trees for each replicate\n"); printf("\n"); printf(" DEFAULT: One ML search per BS replicate\n"); printf("\n"); printf(" -v Display version information\n"); printf("\n"); printf(" -w Name of the working directory where RAxML will write its output files\n"); printf("\n"); printf(" DEFAULT: current directory\n"); printf("\n"); printf(" -x Specify an integer number (random seed) and turn on rapid bootstrapping\n"); printf("\n"); printf(" -y If you want to only compute a parsimony starting tree with RAxML specify \"-y\",\n"); printf(" the program will exit after computation of the starting tree\n"); printf("\n"); printf(" DEFAULT: OFF\n"); printf("\n"); printf(" -z Specify the file name of a file containing multiple trees e.g. from a bootstrap\n"); printf(" that shall be used to draw bipartition values onto a tree provided with \"-t\",\n"); printf(" It can also be used to compute per site log likelihoods in combination with \"-f g\"\n"); printf(" and to read a bunch of trees for a couple of other options (\"-f h\", \"-f m\", \"-f n\").\n"); printf("\n"); printf(" -#|-N Specify the number of alternative runs on distinct starting trees\n"); printf(" In combination with the \"-b\" option, this will invoke a multiple boostrap analysis\n"); printf(" Note that \"-N\" has been added as an alternative since \"-#\" sometimes caused problems\n"); printf(" with certain MPI job submission systems, since \"-#\" is often used to start comments\n"); printf("\n"); printf(" DEFAULT: 1 single analysis\n"); printf("\n\n\n\n"); } static void get_args(int argc, char *argv[], analdef *adef, tree *tr) { int optind = 1; int c; boolean bad_opt=FALSE; char aut[256]; char buf[2048]; char *optarg; char model[2048] = ""; char outgroups[2048] = ""; char modelChar; double likelihoodEpsilon, sequenceSimilarity; int nameSet = 0, alignmentSet = 0, multipleRuns = 0, constraintSet = 0, treeSet = 0, groupSet = 0, modelSet = 0, treesSet = 0, multipleBoots = 0; long parsimonySeed = 0; run_id[0] = 0; workdir[0] = 0; seq_file[0] = 0; tree_file[0] = 0; model[0] = 0; weightFileName[0] = 0; modelFileName[0] = 0; /*********** tr inits **************/ #ifdef _USE_PTHREADS NumberOfThreads = 0; #endif tr->doCutoff = TRUE; /********* tr inits end*************/ #ifdef _VINCENT while(!bad_opt && ((c = mygetopt(argc,argv,"T:E:N:u:l:x:X:z:g:r:e:a:b:c:f:i:m:t:w:s:n:o:L:B:q:#:p:vdyjhkM", &optind, &optarg))!=-1)) #else while(!bad_opt && ((c = mygetopt(argc,argv,"T:E:N:u:l:x:z:g:r:e:a:b:c:f:i:m:t:w:s:n:o:L:B:P:q:#:p:vdyjhkM", &optind, &optarg))!=-1)) #endif { switch(c) { case 'T': #ifdef _USE_PTHREADS sscanf(optarg,"%d", &NumberOfThreads); #else if(processID == 0) { printf("Option -T does not have any effect with the sequential or parallel MPI version.\n"); printf("It is used to specify the number of threads for the Pthreads-based parallelization\n"); } #endif break; case 'P': strcpy(proteinModelFileName, optarg); adef->userProteinModel = TRUE; parseProteinModel(adef); break; case 'E': strcpy(excludeFileName, optarg); adef->useExcludeFile = TRUE; break; case 'M': adef->perGeneBranchLengths = TRUE; break; case 'u': sscanf(optarg,"%d", &multipleBoots); adef->multiBoot = multipleBoots; break; case 'o': strcpy(outgroups, optarg); parseOutgroups(outgroups, tr); adef->outgroup = TRUE; break; case 'k': adef->bootstrapBranchLengths = TRUE; break; case 'z': strcpy(bootStrapFile, optarg); treesSet = 1; break; case 'd': adef->randomStartingTree = TRUE; break; case 'g': strcpy(tree_file, optarg); adef->grouping = TRUE; adef->restart = TRUE; groupSet = 1; break; case 'r': strcpy(tree_file, optarg); adef->restart = TRUE; adef->constraint = TRUE; constraintSet = 1; break; case 'e': sscanf(optarg,"%lf", &likelihoodEpsilon); adef->likelihoodEpsilon = likelihoodEpsilon; break; case 'q': strcpy(modelFileName,optarg); adef->useMultipleModel = TRUE; break; case 'p': sscanf(optarg,"%ld", &parsimonySeed); adef->parsimonySeed = parsimonySeed; break; case 'N': case '#': /* TODO include auto in readme */ if(sscanf(optarg,"%d", &multipleRuns) > 0) { adef->multipleRuns = multipleRuns; } else { if((sscanf(optarg,"%s", aut) > 0) && ( (strcmp(aut, "auto") == 0) || (strcmp(aut, "Auto") == 0) || (strcmp(aut, "AUTO") == 0) || (strcmp(aut, "automatic") == 0) || (strcmp(aut, "Automatic") == 0) || (strcmp(aut, "AUTOMATIC") == 0) ) ) { adef->bootStopping = TRUE; adef->multipleRuns = 1000; } else { if(processID == 0) { printf("Use -# or -N option either with an integer, e.g., -# 100 or with -# auto\n"); printf("or -N 100 or -N auto respectively, note that auto will not work for the\n"); printf("MPI-based parallel version\n"); } errorExit(0); } } break; case 'v': printVersionInfo(); errorExit(0); case 'y': adef->startingTreeOnly = 1; break; case 'h': printREADME(); errorExit(0); case 'j': adef->checkpoints = 1; break; case 'a': strcpy(weightFileName,optarg); adef->useWeightFile = TRUE; break; case 'b': sscanf(optarg,"%ld", &adef->boot); break; case 'x': sscanf(optarg,"%ld", &adef->rapidBoot); #ifdef _VINCENT adef->optimizeBSmodel = FALSE; #endif break; #ifdef _VINCENT case 'X': sscanf(optarg,"%ld", &adef->rapidBoot); adef->optimizeBSmodel = TRUE; break; #endif case 'c': sscanf(optarg, "%d", &adef->categories); break; case 'l': sscanf(optarg,"%lf", &sequenceSimilarity); adef->sequenceSimilarity = sequenceSimilarity; adef->mode = SEQUENCE_SIMILARITY_FILTER; adef->similarityFilterMode = SMALL_DATA; break; case 'L': sscanf(optarg,"%lf", &sequenceSimilarity); adef->sequenceSimilarity = sequenceSimilarity; adef->mode = SEQUENCE_SIMILARITY_FILTER; adef->similarityFilterMode = LARGE_DATA; break; case 'B': /* TODO include in readme */ sscanf(optarg,"%lf", &(adef->bootstopCutoff)); if(adef->bootstopCutoff <= 0.0) { printf("ERROR BootstopCutoff was set to %f, but must be greater than 0.0\n", adef->bootstopCutoff); errorExit(-1); } if(adef->bootstopCutoff == 0.5) { printf("\n\nWARNING: BootstopCutoff was set to %f, this is equivalent to default\n", adef->bootstopCutoff); printf("Bootstopping without the \"-B\" option. Are you sure that this is \n"); printf("what you want to do?\n\n"); } if(adef->bootstopCutoff > 0.5) { printf("ERROR BootstopCutoff was set to %f, but must be smaller or equal to 0.5\n", adef->bootstopCutoff); errorExit(-1); } break; case 'f': sscanf(optarg, "%c", &modelChar); switch(modelChar) { case 'a': adef->allInOne = TRUE; adef->mode = BIG_RAPID_MODE; tr->doCutoff = TRUE; break; case 'b': adef->mode = CALC_BIPARTITIONS; break; case 'c': adef->mode = CHECK_ALIGNMENT; break; case 'd': adef->mode = BIG_RAPID_MODE; tr->doCutoff = TRUE; break; case 'e': adef->mode = TREE_EVALUATION; break; case 'f': /* TODO include in readme */ adef->mode = OPTIMIZE_RATES; adef->treeLength = TRUE; break; case 'g': adef->mode = OPTIMIZE_RATES; adef->computePerSiteLLs = TRUE; break; case 'h': adef->mode = TREE_EVALUATION; adef->likelihoodTest = TRUE; break; case 'i': adef->reallyThoroughBoot = TRUE; break; case 'j': adef->generateBS = TRUE; break; case 'k': /* TODO include in readme */ adef->bootStopOnly = 1; break; case 'l': /* TODO include in readme */ adef->bootStopOnly = 2; break; case 'm': adef->bootStopOnly = 3; break; case 'n': adef->bootStopOnly = 4; break; case 'o': adef->mode = BIG_RAPID_MODE; tr->doCutoff = FALSE; break; case 'p': adef->mode = PARSIMONY_ADDITION; break; case 'q': /* TODO include in README */ adef->mode = MEHRING_ALGO; break; case 'r': adef->mode = OPTIMIZE_RATES; break; case 's': adef->mode = SPLIT_MULTI_GENE; break; case 't': adef->mode = BIG_RAPID_MODE; tr->doCutoff = TRUE; adef->permuteTreeoptimize = TRUE; break; case 'u': /* TODO readme */ adef->mode = ARNDT_MODE; break; case 'v': /* TODO README */ adef->rapidML_Addition = TRUE; break; case 'w': adef->computeELW = TRUE; break; default: { if(processID == 0) { printf("Error select one of the following algorithms via -f :\n"); printMinusFUsage(); } errorExit(-1); } } break; case 'i': sscanf(optarg, "%d", &adef->initial); adef->initialSet = TRUE; break; case 'n': strcpy(run_id,optarg); nameSet = 1; break; case 'w': strcpy(workdir,optarg); break; case 't': strcpy(tree_file, optarg); adef->restart = TRUE; treeSet = 1; break; case 's': strcpy(seq_file, optarg); alignmentSet = 1; break; case 'm': strcpy(model,optarg); if(modelExists(model, adef) == 0) { if(processID == 0) { printf("Model %s does not exist\n\n", model); printf("For DNA data use: GTRCAT or GTRGAMMA or\n"); printf(" GTRMIX or GTRMIXI or\n"); printf(" GTRGAMMAI or GTRCAT_GAMMAI or\n"); printf(" GTRCAT_GAMMA\n\n"); printf("For AA data use: PROTCATmatrixName[F] or PROTGAMMAmatrixName[F] or\n"); printf(" PROTMIXmatrixName[F] or PROTMIXImatrixName[F] or\n"); printf(" PROTGAMMAImatrixName[F] or PROTCAT_GAMMAImatrixName[F] or\n"); printf(" PROTCAT_GAMMAImatrixName[F]\n\n"); printf("The AA substitution matrix can be one of the following: \n"); printf("DAYHOFF, DCMUT, JTT, MTREV, WAG, RTREV, CPREV, VT, BLOSUM62, MTMAM, GTR\n\n"); printf("With the optional \"F\" appendix you can specify if you want to use empirical base frequencies\n"); printf("Please note that for mixed models you can in addition specify the per-gene model in\n"); printf("the mixed model file (see manual for details)\n"); } errorExit(-1); } else modelSet = 1; break; default: errorExit(-1); } } #ifdef _USE_PTHREADS if(NumberOfThreads < 2) { printf("\nThe number of threads is currently set to %d\n", NumberOfThreads); printf("Specify the number of threads to run via -T numberOfThreads\n"); printf("NumberOfThreads must be set to an integer value greater than 1\n\n"); errorExit(-1); } #endif if(adef->computeELW) { if(processID == 0) { if(adef->boot == 0) { printf("Error, you must specify a bootstrap seed via \"-b\" to compute ELW statistics\n"); errorExit(-1); } if(adef->multipleRuns < 2) { printf("Error, you must specify the number of BS replicates via \"-#\" or \"-N\" to compute ELW statistics\n"); printf("it should be larger than 1, recommended setting is 100\n"); errorExit(-1); } if(!treesSet) { printf("Error, you must specify an input file containing several candidate trees\n"); printf("via \"-z\" to compute ELW statistics.\n"); errorExit(-1); } if(!(adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA)) { printf("Error ELW test can only be conducted undetr GAMMA or GAMMA+P-Invar models\n"); errorExit(-1); } } } if(adef->mode == MEHRING_ALGO && !(adef->restart && adef->outgroup)) { if(processID == 0) { printf("\nTo use the sequence position determination algorithm you have to specify a starting tree with \"-t\" \n"); printf("and a taxon to be re-inserted with \"-o\" \n"); errorExit(-1); } } if(((!adef->boot) && (!adef->rapidBoot)) && adef->bootStopping) { if(processID == 0) { printf("Can't use automatic bootstopping without actually doing a Bootstrap\n"); printf("Specify either -x randomNumberSeed (rapid) or -b randomNumberSeed (standard)\n"); errorExit(-1); } } if(adef->boot && adef->rapidBoot) { if(processID == 0) { printf("Can't use standard and rapid BOOTSTRAP simultaneously\n"); errorExit(-1); } } if(adef->rapidBoot && !(adef->mode == MEHRING_ALGO)) { if(processID == 0 && (adef->restart || treesSet)) { printf("Error, starting tree(s) will be ignored by rapid Bootstrapping\n"); errorExit(-1); } if(processID == 0 && (groupSet || constraintSet)) { printf("Error, constraint tree will be ignored by rapid Bootstrapping\n"); errorExit(-1); } } if(adef->allInOne && (adef->rapidBoot == 0)) { if(processID == 0) { printf("Error, to carry out an ML search after a rapid BS inference you must specify a random number seed with -x\n"); errorExit(-1); } } if(adef->mode == SEQUENCE_SIMILARITY_FILTER) { if(processID == 0) { if(adef->sequenceSimilarity <= 0.0 || adef->sequenceSimilarity >= 1.0) { printf("\n ERROR: sequence similarity must be > 0.0 and < 1.0, exiting ...\n"); errorExit(-1); } } } if(adef->mode == OPTIMIZE_RATES) { if(adef->treeLength && !(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA)) { if(processID == 0) printf("\n ERROR: Tree-Length-based sliding window approach only allowed under GAMMA model of rate heterogeneity!\n"); errorExit(-1); } if(adef->computePerSiteLLs) { if(!(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA)) { if(processID == 0) printf("\n ERROR: Computation of per-site log LHs is only allowed under GAMMA model of rate heterogeneity!\n"); errorExit(-1); } if(!treesSet) { if(processID == 0) printf("\n ERROR: For Computation of per-site log LHs you need to specify several input trees with \"-z\"\n"); errorExit(-1); } } if(!adef->restart) { if(!adef->computePerSiteLLs && processID == 0) { if(!adef->treeLength) printf("\n You need to specify an input tree with \"-t\" to optimize rates using \"-f r\"\n"); else printf("\n You need to specify an input tree with \"-t\" to optimize rates and compute the sliding window tree length using \"-f f\"\n"); errorExit(-1); } } } if(adef->bootstrapBranchLengths && (adef->model == M_GTRCAT || adef->model == M_PROTCAT) && (!adef->useMixedModel)) { if(processID == 0) { printf("\nWARNING: you want to print out the branch lengths of your bootstrapped trees\n"); printf("WARNING: However you have currently chosen one of the CAT models where the branch lengths\n"); printf("WARNING: are essentially meaningless, you should better use CATMIX/PROTMIX instead\n"); } } if(adef->mode == SPLIT_MULTI_GENE && (!adef->useMultipleModel)) { if(processID == 0) { printf("\n Error, you are trying to split a multi-gene alignment into individual genes with the \"-f s\" option\n"); printf("Without specifying a multiple model file with \"-q modelFileName\" \n"); } errorExit(-1); } if(adef->mode == CALC_BIPARTITIONS && !treesSet) { if(processID == 0) printf("\n Error, in bipartition computation mode you must specify a file containing multiple trees with the \"-z\" option\n"); errorExit(-1); } if(adef->mode == CALC_BIPARTITIONS && !adef->restart) { if(processID == 0) printf("\n Error, in bipartition computation mode you must specify a tree on which bipartition information will be drawn with the \"-t\" option\n"); errorExit(-1); } if(!modelSet) { if(processID == 0) printf("\n Error, you must specify a model of substitution with the \"-m\" option\n"); errorExit(-1); } if(adef->useMultipleModel && (adef->model == M_PROTGAMMA || adef->model == M_PROTCAT) && (adef->proteinMatrix == GTR)) { if(processID == 0) printf("\n Error GTR model of AA substiution in combination with mixed models is currently not implemented\n"); errorExit(-1); } if(!adef->restart && adef->mode == PARSIMONY_ADDITION) { if(processID == 0) { printf("\n You need to specify an incomplete binary input tree with \"-t\" to execute \n"); printf(" RAxML MP stepwise addition with \"-f p\"\n"); } errorExit(-1); } if(adef->restart && adef->randomStartingTree) { if(processID == 0) { if(adef->constraint) { printf("\n Error you specified a binary constraint tree with -r AND the computation\n"); printf("of a random starting tree with -d for the same run\n"); } else { if(adef->grouping) { printf("\n Error you specified a multifurcating constraint tree with -g AND the computation\n"); printf("of a random starting tree with -d for the same run\n"); } else { printf("\n Error you specified a starting tree with -t AND the computation\n"); printf("of a random starting tree with -d for the same run\n"); } } } errorExit(-1); } if(treeSet && constraintSet) { if(processID == 0) printf("\n Error you specified a binary constraint tree AND a starting tree for the same run\n"); errorExit(-1); } if(treeSet && groupSet) { if(processID == 0) printf("\n Error you specified a multifurcating constraint tree AND a starting tree for the same run\n"); errorExit(-1); } if(groupSet && constraintSet) { if(processID == 0) printf("\n Error you specified a bifurcating constraint tree AND a multifurcating constraint tree for the same run\n"); errorExit(-1); } if(adef->restart && adef->startingTreeOnly) { if(processID == 0) { printf("\n Error conflicting options: you want to compute only a parsimony starting tree with -y\n"); printf(" while you actually specified a starting tree with -t %s\n", tree_file); } errorExit(-1); } if(adef->mode == TREE_EVALUATION && (!adef->restart)) { if(processID == 0) printf("\n Error: please specify a treefile for the tree you want to evaluate with -t\n"); errorExit(-1); } #ifdef PARALLEL if(adef->mode == SPLIT_MULTI_GENE) { if(processID == 0) printf("Multi gene alignment splitting (-f s) not implemented for the MPI-Version\n"); errorExit(-1); } if(adef->mode == TREE_EVALUATION) { if(processID == 0) printf("Tree Evaluation mode (-f e) noot implemented for the MPI-Version\n"); errorExit(-1); } if(adef->mode == CALC_BIPARTITIONS) { if(processID == 0) printf("Computation of bipartitions (-f b) not implemented for the MPI-Version\n"); errorExit(-1); } if(adef->multipleRuns == 1) { if(processID == 0) { printf("Error: you are running the parallel MPI program but only want to compute one tree\n"); printf("For the MPI version you must specify a number of trees greater than 1 with the -# or -N option\n"); } errorExit(-1); } #endif if(adef->mode == TREE_EVALUATION && (adef->model == M_GTRCAT || adef->model == M_PROTCAT)) { if(processID == 0) { printf("\n Error: No tree evaluation with GTRCAT/PROTCAT possible\n"); printf("the GTRCAT likelihood values are instable at present and should not\n"); printf("be used to compare trees based on ML values\n"); } errorExit(-1); } if(!nameSet) { if(processID == 0) printf("\n Error: please specify a name for this run with -n\n"); errorExit(-1); } if(! alignmentSet) { if(processID == 0) printf("\n Error: please specify an alignment for this run with -s\n"); errorExit(-1); } #ifdef WIN32 if(workdir[0]==0 || workdir[0] != '\\') { getcwd(buf,sizeof(buf)); if( buf[strlen(buf)-1] != '\\') strcat(buf,"\\"); strcat(buf,workdir); if( buf[strlen(buf)-1] != '\\') strcat(buf,"\\"); strcpy(workdir,buf); } #else if(workdir[0]==0 || workdir[0] != '/') { getcwd(buf,sizeof(buf)); if( buf[strlen(buf)-1] != '/') strcat(buf,"/"); strcat(buf,workdir); if( buf[strlen(buf)-1] != '/') strcat(buf,"/"); strcpy(workdir,buf); } #endif return; } void errorExit(int e) { #ifdef PARALLEL MPI_Status msgStatus; int i, dummy; if(processID == 0) { for(i = 1; i < numOfWorkers; i++) MPI_Send(&dummy, 1, MPI_INT, i, FINALIZE, MPI_COMM_WORLD); MPI_Finalize(); exit(e); } else { MPI_Recv(&dummy, 1, MPI_INT, 0, FINALIZE, MPI_COMM_WORLD, &msgStatus); MPI_Finalize(); exit(e); } #else exit(e); #endif } static void makeFileNames(void) { int infoFileExists = 0; #ifdef PARALLEL MPI_Status msgStatus; #endif strcpy(permFileName, workdir); strcpy(resultFileName, workdir); strcpy(logFileName, workdir); strcpy(checkpointFileName, workdir); strcpy(infoFileName, workdir); strcpy(randomFileName, workdir); strcpy(bootstrapFileName, workdir); strcpy(bipartitionsFileName, workdir); strcpy(ratesFileName, workdir); strcpy(lengthFileName, workdir); strcpy(lengthFileNameModel, workdir); strcpy( perSiteLLsFileName, workdir); strcat(permFileName, "RAxML_parsimonyTree."); strcat(resultFileName, "RAxML_result."); strcat(logFileName, "RAxML_log."); strcat(checkpointFileName, "RAxML_checkpoint."); strcat(infoFileName, "RAxML_info."); strcat(randomFileName, "RAxML_randomTree."); strcat(bootstrapFileName, "RAxML_bootstrap."); strcat(bipartitionsFileName, "RAxML_bipartitions."); strcat(ratesFileName, "RAxML_perSiteRates."); strcat(lengthFileName, "RAxML_treeLength."); strcat(lengthFileNameModel, "RAxML_treeLengthModel."); strcat( perSiteLLsFileName, "RAxML_perSiteLLs."); strcat(permFileName, run_id); strcat(resultFileName, run_id); strcat(logFileName, run_id); strcat(checkpointFileName, run_id); strcat(infoFileName, run_id); strcat(randomFileName, run_id); strcat(bootstrapFileName, run_id); strcat(bipartitionsFileName, run_id); strcat(ratesFileName, run_id); strcat(lengthFileName, run_id); strcat(lengthFileNameModel, run_id); strcat(perSiteLLsFileName, run_id); if(processID == 0) { infoFileExists = filexists(infoFileName); #ifdef PARALLEL { int i; for(i = 1; i < numOfWorkers; i++) MPI_Send(&infoFileExists, 1, MPI_INT, i, FINALIZE, MPI_COMM_WORLD); } #endif if(infoFileExists) { printf("RAxML output files with the run ID <%s> already exist \n", run_id); printf("in directory %s ...... exiting\n", workdir); #ifdef PARALLEL MPI_Finalize(); exit(-1); #else exit(-1); #endif } } #ifdef PARALLEL else { MPI_Recv(&infoFileExists, 1, MPI_INT, 0, FINALIZE, MPI_COMM_WORLD, &msgStatus); if(infoFileExists) { MPI_Finalize(); exit(-1); } } #endif } static void readData(analdef *adef, rawdata *rdta, cruncheddata *cdta, tree *tr) { INFILE = fopen(seq_file, "r"); if (!INFILE) { if(processID == 0) printf( "Could not open sequence file: %s\n", seq_file); errorExit(-1); } getinput(adef, rdta, cdta, tr); fclose(INFILE); } /***********************reading and initializing input ******************/ /********************PRINTING various INFO **************************************/ static void printModelAndProgramInfo(tree *tr, analdef *adef, int argc, char *argv[]) { if(processID == 0) { int i, model; FILE *infoFile = fopen(infoFileName, "a"); char modelType[128]; if(adef->useInvariant) strcpy(modelType, "GAMMA+P-Invar"); else strcpy(modelType, "GAMMA"); printf("\n\nYou are using %s version %s released by Alexandros Stamatakis in %s\n", programName, programVersion, programDate); fprintf(infoFile, "\n\nYou are using %s version %s released by Alexandros Stamatakis in %s\n", programName, programVersion, programDate); if(adef->mode == OPTIMIZE_RATES) { printf("\nAlignment has %d columns\n\n", tr->cdta->endsite); fprintf(infoFile, "\nAlignment has %d columns\n\n", tr->cdta->endsite); } else { printf("\nAlignment has %d distinct alignment patterns\n\n", tr->cdta->endsite); fprintf(infoFile, "\nAlignment has %d distinct alignment patterns\n\n", tr->cdta->endsite); } if(adef->useInvariant) { printf("Found %d invariant alignment patterns that correspond to %d columns \n", tr->numberOfInvariableColumns, tr->weightOfInvariableColumns); fprintf(infoFile, "Found %d invariant alignment patterns that correspond to %d columns \n", tr->numberOfInvariableColumns, tr->weightOfInvariableColumns); } printf("Proportion of gaps and completely undetermined characters in this alignment: %f\n", adef->gapyness); fprintf(infoFile, "Proportion of gaps and completely undetermined characters in this alignment: %f\n", adef->gapyness); switch(adef->mode) { case ARNDT_MODE: printf("Arndt-Mode\n"); fprintf(infoFile, "Arndt-Mode\n"); break; case TREE_EVALUATION : printf("\nRAxML Model Optimization up to an accuracy of %f log likelihood units\n\n", adef->likelihoodEpsilon); fprintf(infoFile, "\nRAxML Model Optimization up to an accuracy of %f log likelihood units\n\n", adef->likelihoodEpsilon); break; case BIG_RAPID_MODE: if(adef->rapidBoot) { if(adef->allInOne) { printf("\nRAxML rapid bootstrapping and subsequent ML search\n\n"); fprintf(infoFile, "\nRAxML rapid bootstrapping and subsequent ML search\n\n"); } else { printf("\nRAxML rapid bootstrapping algorithm\n\n"); fprintf(infoFile, "\nRAxML rapid bootstrapping algorithm\n\n"); } } else { printf("\nRAxML rapid hill-climbing mode\n\n"); fprintf(infoFile, "\nRAxML rapid hill-climbing mode\n\n"); } break; case CALC_BIPARTITIONS: printf("\nRAxML Bipartition Computation: Drawing support values from trees in file %s onto tree in file %s\n\n", bootStrapFile, tree_file); fprintf(infoFile, "\nRAxML Bipartition Computation: Drawing support values from trees in file %s onto tree in file %s\n\n", bootStrapFile, tree_file); fclose(infoFile); return; case OPTIMIZE_RATES: if(!(adef->treeLength || adef->computePerSiteLLs)) { printf("\nRAxML optimization of per-site evolutionary rates\n\n"); fprintf(infoFile,"\nRAxML optimization of per-site evolutionary rates\n\n"); } if(adef->treeLength) { printf("\nRAxML optimization of per-site evolutionary rates and tree-length sliding window\n\n"); fprintf(infoFile,"\nRAxML optimization of per-site evolutionary rates and tree-length sliding window\n\n"); } if(adef->computePerSiteLLs) { printf("\nRAxML computation of per-site log likelihoods\n\n"); fprintf(infoFile,"\nRAxML computation of per-site log likelihoods\n\n"); } fclose(infoFile); return; case PARSIMONY_ADDITION: printf("\nRAxML stepwise MP addition to incomplete starting tree\n\n"); fprintf(infoFile,"\nRAxML stepwise MP addition to incomplete starting tree\n\n"); fclose(infoFile); return; case MEHRING_ALGO: printf("\nRAxML single-sequence position determination algorithm\n\n"); fprintf(infoFile,"\nRAxML single-sequence position determination algorithm\n\n"); break; default: printf("Oups, forgot to implement mode description %d exiting\n", adef->mode); exit(-1); } if(tr->NumberOfModels > 1) { if(adef->perGeneBranchLengths) { printf("Partitioned Data Mode: Using %d distinct models/partitions with individual per partition branch length optimization\n", tr->NumberOfModels); fprintf(infoFile, "Partitioned Data Mode: Using %d distinct models/partitions with individual per partition branch length optimization\n", tr->NumberOfModels); printf( "\n\n"); fprintf(infoFile, "\n\n"); } else { printf("Partitioned Data Mode: Using %d distinct models/partitions with joint branch length optimization\n", tr->NumberOfModels); fprintf(infoFile, "Partitioned Data Mode: Using %d distinct models/partitions with joint branch length optimization\n", tr->NumberOfModels); printf( "\n\n"); fprintf(infoFile, "\n\n"); } } if(adef->rapidBoot) { if(adef->allInOne) { printf("\nExecuting %d rapid bootstrap inferences and thereafter a thorough ML search \n\n", adef->multipleRuns); fprintf(infoFile, "\nExecuting %d rapid bootstrap inferences and thereafter a thorough ML search \n\n", adef->multipleRuns); } else { printf("\nExecuting %d rapid bootstrap inferences\n\n", adef->multipleRuns); fprintf(infoFile, "\nExecuting %d rapid bootstrap inferences\n\n", adef->multipleRuns); } } else { if(adef->boot) { if(adef->multipleRuns > 1) { printf("Executing %d non-parametric bootstrap inferences\n\n", adef->multipleRuns); fprintf(infoFile, "Executing %d non-parametric bootstrap inferences\n\n", adef->multipleRuns); } else { printf("Executing %d non-parametric bootstrap inference\n\n", adef->multipleRuns); fprintf(infoFile, "Executing %d non-parametric bootstrap inference\n\n", adef->multipleRuns); } } else { char treeType[1024]; if(adef->restart) strcpy(treeType, "user-specifed"); else { if(adef->randomStartingTree) strcpy(treeType, "distinct complete random"); else strcpy(treeType, "distinct randomized MP"); } if(adef->multipleRuns > 1) { printf("Executing %d inferences on the original alignment using %d %s trees\n\n", adef->multipleRuns, adef->multipleRuns, treeType); fprintf(infoFile, "Executing %d inferences on the original alignment using %d %s trees\n\n", adef->multipleRuns, adef->multipleRuns, treeType); } else { printf("Executing %d inference on the original alignment using a %s tree\n\n", adef->multipleRuns, treeType); fprintf(infoFile, "Executing %d inference on the original alignment using a %s tree\n\n", adef->multipleRuns, treeType); } } } if(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { printf( "All free model parameters will be estimated by RAxML\n"); printf( "%s model of rate heteorgeneity, ML estimate of alpha-parameter\n", modelType); printf( "%s Model parameters will be estimated up to an accuracy of %2.10f Log Likelihood units\n\n", modelType, adef->likelihoodEpsilon); fprintf(infoFile, "All free model parameters will be estimated by RAxML\n"); fprintf(infoFile, "%s model of rate heterogeneity, ML estimate of alpha-parameter\n", modelType); fprintf(infoFile, "%s Model parameters will be estimated up to an accuracy of %2.10f Log Likelihood units\n\n", modelType, adef->likelihoodEpsilon); } else { if(adef->useMixedModel) { printf( "All free model parameters will be estimated by RAxML\n"); printf( "ML estimate of %d per site rate categories\n", adef->categories); printf( "Likelihood of final tree will be evaluated and optimized under %s\n", modelType); printf( "Final model parameters will be estimated up to an accuracy of %2.10f Log Likelihood units\n\n", adef->likelihoodEpsilon); fprintf(infoFile, "All free model parameters will be estimated by RAxML\n"); fprintf(infoFile, "ML estimate of %d per site rate categories\n", adef->categories); fprintf(infoFile, "Likelihood of final tree will be evaluated and optimized under %s\n", modelType); fprintf(infoFile, "Final model parameters will be estimated up to an accuracy of %2.10f Log Likelihood units\n\n", adef->likelihoodEpsilon); } else { printf( "Approximation of rate heterogeneity only!\n"); printf( "All free model parameters will be estimated by RAxML\n"); printf( "ML estimate of %d per site rate categories\n", adef->categories); printf( "WARNING: CAT-based likelihood values should NEVER be used to COMPARE trees!\n\n"); fprintf(infoFile, "Approximation of rate heterogeneity only!\n"); fprintf(infoFile, "All free model parameters will be estimated by RAxML\n"); fprintf(infoFile, "ML estimate of %d per site rate categories\n", adef->categories); fprintf(infoFile, "WARNING: CAT-based likelihood values should NEVER be used to COMPARE trees!\n\n"); } } for(model = 0; model < tr->NumberOfModels; model++) { printf("Partition: %d\n", model); printf("Name: %s\n", tr->partitionData[model].partitionName); fprintf(infoFile, "Partition: %d\n", model); fprintf(infoFile, "Name: %s\n", tr->partitionData[model].partitionName); switch(tr->partitionData[model].dataType) { case DNA_DATA: printf("DataType: DNA\n"); printf("Substitution Matrix: GTR\n"); if(adef->boot == 0) { printf("Empirical Base Frequencies:\n"); printf("pi(A): %f pi(C): %f pi(G): %f pi(T): %f", tr->frequencies_DNA[model * 4 + 0], tr->frequencies_DNA[model * 4 + 1], tr->frequencies_DNA[model * 4 + 2], tr->frequencies_DNA[model * 4 + 3]); } else { printf("Empirical Base Frequencies will not be printed for Bootstrapping\n"); } fprintf(infoFile, "DataType: DNA\n"); fprintf(infoFile, "Substitution Matrix: GTR\n"); if(adef->boot == 0) { fprintf(infoFile, "Empirical Base Frequencies:\n"); fprintf(infoFile, "pi(A): %f pi(C): %f pi(G): %f pi(T): %f", tr->frequencies_DNA[model * 4 + 0], tr->frequencies_DNA[model * 4 + 1], tr->frequencies_DNA[model * 4 + 2], tr->frequencies_DNA[model * 4 + 3]); } else { fprintf(infoFile, "Empirical Base Frequencies will not be printed for Bootstrapping\n"); } break; case AA_DATA: { char *protStrings[10] = {"DAYHOFF", "DCMUT", "JTT", "MTREV", "WAG", "RTREV", "CPREV", "VT", "BLOSUM62", "MTMAM"}; char basesPROT[20] = {'A', 'R', 'N' , 'D', 'C', 'Q','E','G','H','I','L','K','M','F','P','S','T','W','Y','V'}; assert(tr->partitionData[model].protModels >= 0 && tr->partitionData[model].protModels < 10); printf("DataType: AA\n"); printf("Substitution Matrix: %s\n", protStrings[tr->partitionData[model].protModels]); printf("%s Base Frequencies:\n", (tr->partitionData[model].protFreqs == 1)?"Empirical":"Fixed"); if(adef->boot == 0) { int k; for(k = 0; k < 20; k++) { if(k % 4 == 0 && k > 0) printf("\n"); printf("pi(%c): %f ", basesPROT[k], tr->frequencies_AA[model * 20 + k]); } } else { printf("Base Frequencies will not be printed for Bootstrapping\n"); } fprintf(infoFile, "DataType: AA\n"); fprintf(infoFile, "Substitution Matrix: %s\n", protStrings[tr->partitionData[model].protModels]); fprintf(infoFile, "%s Base Frequencies:\n", (tr->partitionData[model].protFreqs == 1)?"Empirical":"Fixed"); if(adef->boot == 0) { int k; for(k = 0; k < 20; k++) { if(k % 4 == 0) fprintf(infoFile, "\n"); fprintf(infoFile, "pi(%c): %f ", basesPROT[k], tr->frequencies_AA[model * 20 + k]); } } else { fprintf(infoFile, "Base Frequencies will not be printed for Bootstrapping\n"); } } break; default: assert(0); } printf("\n\n\n"); fprintf(infoFile,"\n\n\n"); } printf("\n"); fprintf(infoFile, "\n"); fprintf(infoFile,"RAxML was called as follows:\n\n"); for(i = 0; i < argc; i++) fprintf(infoFile,"%s ", argv[i]); fprintf(infoFile,"\n\n\n"); fclose(infoFile); } } void printResult(tree *tr, analdef *adef, boolean finalPrint) { FILE *logFile; char temporaryFileName[1024] = "", treeID[64] = ""; strcpy(temporaryFileName, resultFileName); switch(adef->mode) { case TREE_EVALUATION: Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, finalPrint, adef, SUMMARIZE_LH); logFile = fopen(temporaryFileName, "w"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); if(adef->perGeneBranchLengths) printTreePerGene(tr, adef, temporaryFileName, "w"); break; case BIG_RAPID_MODE: if(!adef->boot) { if(adef->multipleRuns > 1) { sprintf(treeID, "%d", tr->treeID); strcat(temporaryFileName, ".RUN."); strcat(temporaryFileName, treeID); } if((adef->model == M_GTRCAT || adef->model == M_PROTCAT) && (adef->useMixedModel == 0)) { Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); logFile = fopen(temporaryFileName, "w"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); } else { if(finalPrint) { Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, finalPrint, adef, SUMMARIZE_LH); logFile = fopen(temporaryFileName, "w"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); if(adef->perGeneBranchLengths) printTreePerGene(tr, adef, temporaryFileName, "w"); } else { Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); logFile = fopen(temporaryFileName, "w"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); } } } break; default: printf("FATAL ERROR call to printResult from undefined STATE %d\n", adef->mode); exit(-1); break; } } void printBootstrapResult(tree *tr, analdef *adef, boolean finalPrint) { if(processID == 0) { FILE *logFile; if(adef->mode == BIG_RAPID_MODE && (adef->boot || adef->rapidBoot)) { #ifndef PARALLEL if(adef->bootstrapBranchLengths) { Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, finalPrint, adef, SUMMARIZE_LH); logFile = fopen(bootstrapFileName, "a"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); if(adef->perGeneBranchLengths) printTreePerGene(tr, adef, bootstrapFileName, "a"); } else { Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); logFile = fopen(bootstrapFileName, "a"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); } #else logFile = fopen(bootstrapFileName, "a"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); #endif } else { printf("FATAL ERROR in printBootstrapResult\n"); exit(-1); } } } void printBipartitionResult(tree *tr, analdef *adef, boolean finalPrint) { if(processID == 0 || adef->allInOne) { FILE *logFile; Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, TRUE, finalPrint, adef, NO_BRANCHES); logFile = fopen(bipartitionsFileName, "a"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); } } void printLog(tree *tr, analdef *adef, boolean finalPrint) { FILE *logFile; char temporaryFileName[1024] = "", checkPoints[1024] = "", treeID[64] = ""; double lh, t; lh = tr->likelihood; t = gettime() - masterTime; strcpy(temporaryFileName, logFileName); strcpy(checkPoints, checkpointFileName); switch(adef->mode) { case TREE_EVALUATION: logFile = fopen(temporaryFileName, "a"); printf("%f %f\n", t, lh); fprintf(logFile, "%f %f\n", t, lh); fclose(logFile); break; case BIG_RAPID_MODE: if(adef->boot || adef->rapidBoot) { /* testing only printf("%f %f\n", t, lh);*/ /* NOTHING PRINTED so far */ } else { if(adef->multipleRuns > 1) { sprintf(treeID, "%d", tr->treeID); strcat(temporaryFileName, ".RUN."); strcat(temporaryFileName, treeID); strcat(checkPoints, ".RUN."); strcat(checkPoints, treeID); } if(!adef->checkpoints) { logFile = fopen(temporaryFileName, "a"); #ifndef PARALLEL printf("%f %f\n", t, lh); #endif fprintf(logFile, "%f %f\n", t, lh); fclose(logFile); } else { logFile = fopen(temporaryFileName, "a"); #ifndef PARALLEL printf("%f %f %d\n", t, lh, tr->checkPointCounter); #endif fprintf(logFile, "%f %f %d\n", t, lh, tr->checkPointCounter); fclose(logFile); strcat(checkPoints, "."); sprintf(treeID, "%d", tr->checkPointCounter); strcat(checkPoints, treeID); Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); logFile = fopen(checkPoints, "a"); fprintf(logFile, "%s", tr->tree_string); fclose(logFile); tr->checkPointCounter++; } } break; default: printf("FATAL ERROR call to printLog from undefined STATE %d\n", adef->mode); exit(-1); break; } } void printStartingTree(tree *tr, analdef *adef, boolean finalPrint) { if(adef->boot) { /* not printing starting trees for bootstrap */ } else { FILE *treeFile; char temporaryFileName[1024] = "", treeID[64] = ""; Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); if(adef->randomStartingTree) strcpy(temporaryFileName, randomFileName); else strcpy(temporaryFileName, permFileName); if(adef->multipleRuns > 1) { sprintf(treeID, "%d", tr->treeID); strcat(temporaryFileName, ".RUN."); strcat(temporaryFileName, treeID); } treeFile = fopen(temporaryFileName, "a"); fprintf(treeFile, "%s", tr->tree_string); fclose(treeFile); } } void writeInfoFile(analdef *adef, tree *tr, double t) { if(processID == 0) { FILE *infoFile = fopen(infoFileName, "a"); switch(adef->mode) { case TREE_EVALUATION: break; case BIG_RAPID_MODE: if(adef->boot || adef->rapidBoot) { if(!adef->initialSet) { fprintf(infoFile, "Bootstrap[%d]: Time %f bootstrap likelihood %f, best rearrangement setting %d\n", tr->treeID, t, tr->likelihood, adef->bestTrav); printf("Bootstrap[%d]: Time %f bootstrap likelihood %f, best rearrangement setting %d\n", tr->treeID, t, tr->likelihood, adef->bestTrav); } else { fprintf(infoFile, "Bootstrap[%d]: Time %f bootstrap likelihood %f\n", tr->treeID, t, tr->likelihood); printf("Bootstrap[%d]: Time %f bootstrap likelihood %f\n", tr->treeID, t, tr->likelihood); } } else { if((adef->model == M_GTRCAT || adef->model == M_PROTCAT) && !adef->useMixedModel) { if(!adef->initialSet) fprintf(infoFile, "Inference[%d]: Time %f CAT-likelihood %f, best rearrangement setting %d\n", tr->treeID, t, tr->likelihood, adef->bestTrav); else fprintf(infoFile, "Inference[%d]: Time %f CAT-likelihood %f\n", tr->treeID, t, tr->likelihood); } else { int model; char modelType[128]; if(adef->useInvariant) strcpy(modelType, "GAMMA+P-Invar"); else strcpy(modelType, "GAMMA"); if(!adef->initialSet) fprintf(infoFile, "Inference[%d]: Time %f %s-likelihood %f, best rearrangement setting %d, ", tr->treeID, t, modelType, tr->likelihood, adef->bestTrav); else fprintf(infoFile, "Inference[%d]: Time %f %s-likelihood %f, ", tr->treeID, t, modelType, tr->likelihood); for(model = 0; model < tr->NumberOfModels; model++) { fprintf(infoFile, "alpha[%d]: %f ", model, tr->alphas[model]); if(adef->useInvariant) fprintf(infoFile, "invar[%d]: %f ", model, tr->invariants[model]); #ifndef PARALLEL if(adef->model == M_GTRCAT || adef->model == M_GTRGAMMA) { int k; fprintf(infoFile, "rates[%d] ac ag at cg ct gt: ",model); for(k = 0; k < DNA_RATES; k++) fprintf(infoFile, "%f ", tr->initialRates_DNA[model * DNA_RATES + k]); } fprintf(infoFile, "1.0 "); #endif } fprintf(infoFile, "\n"); } } break; default: assert(0); } fclose(infoFile); } } static void finalizeInfoFile(tree *tr, analdef *adef) { if(processID == 0) { FILE *infoFile = fopen(infoFileName, "a"); double t; int model; t = gettime() - masterTime; switch(adef->mode) { case TREE_EVALUATION : printf("\n\nOverall Time for Tree Evaluation %f\n", t); printf("Final GAMMA likelihood: %f\n", tr->likelihood); fprintf(infoFile, "\n\nOverall Time for Tree Evaluation %f\n", t); fprintf(infoFile, "Final GAMMA likelihood: %f\n", tr->likelihood); { int params, paramsBrLen; if(tr->NumberOfModels == 1) { if(adef->useInvariant) { params = 1 /* INVAR */ + 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */; paramsBrLen = 1 /* INVAR */ + 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */ + (2 * tr->mxtips - 3); } else { params = 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */; paramsBrLen = 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */ + (2 * tr->mxtips - 3); } } else { if(tr->multiBranch) { if(adef->useInvariant) { params = tr->NumberOfModels * (1 /* INVAR */ + 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */); paramsBrLen = tr->NumberOfModels * (1 /* INVAR */ + 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */ + (2 * tr->mxtips - 3)); } else { params = tr->NumberOfModels * (5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */); paramsBrLen = tr->NumberOfModels * (5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */ + (2 * tr->mxtips - 3)); } } else { if(adef->useInvariant) { params = tr->NumberOfModels * (1 /* INVAR */ + 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */); paramsBrLen = tr->NumberOfModels * (1 /* INVAR */ + 5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */) + (2 * tr->mxtips - 3); } else { params = tr->NumberOfModels * (5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */); paramsBrLen = tr->NumberOfModels * (5 /* RATES */ + 3 /* freqs */ + 1 /* alpha */) + (2 * tr->mxtips - 3); } } } if(!tr->mixedData && tr->partitionData[0].dataType == DNA_DATA) { printf("Number of free parameters for AIC-TEST(BR-LEN): %d\n", paramsBrLen); printf("Number of free parameters for AIC-TEST(NO-BR-LEN): %d\n", params); fprintf(infoFile, "Number of free parameters for AIC-TEST(BR-LEN): %d\n", paramsBrLen); fprintf(infoFile, "Number of free parameters for AIC-TEST(NO-BR-LEN): %d\n", params); } } printf("\n\n"); fprintf(infoFile, "\n\n"); for(model = 0; model < tr->NumberOfModels; model++) { double tl; char typeOfData[1024]; switch(tr->partitionData[model].dataType) { case AA_DATA: strcpy(typeOfData,"AA"); break; case DNA_DATA: strcpy(typeOfData,"DNA"); break; default: assert(0); } fprintf(infoFile, "Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); fprintf(infoFile, "alpha: %f\n", tr->alphas[model]); printf("Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); printf("alpha: %f\n", tr->alphas[model]); if(adef->useInvariant) { fprintf(infoFile, "invar: %f\n", tr->invariants[model]); printf("invar: %f\n", tr->invariants[model]); } if(adef->perGeneBranchLengths) tl = treeLength(tr, model); else tl = treeLength(tr, 0); fprintf(infoFile, "Tree-Length: %f\n", tl); printf("Tree-Length: %f\n", tl); switch(tr->partitionData[model].dataType) { case AA_DATA: break; case DNA_DATA: { int k; char *names[6] = {"a<->c", "a<->g", "a<->t", "c<->g", "c<->t", "g<->t"}; for(k = 0; k < DNA_RATES; k++) { fprintf(infoFile, "rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); printf("rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); } fprintf(infoFile, "rate %s: %f\n", names[5], 1.0); printf("rate %s: %f\n", names[5], 1.0); } break; default: assert(0); } fprintf(infoFile, "\n"); printf("\n"); } printf("Final tree written to: %s\n", resultFileName); printf("Execution Log File written to: %s\n", logFileName); fprintf(infoFile, "Final tree written to: %s\n", resultFileName); fprintf(infoFile, "Execution Log File written to: %s\n", logFileName); break; case BIG_RAPID_MODE: if(adef->boot) { printf("\n\nOverall Time for %d Bootstraps %f\n", adef->multipleRuns, t); printf("\n\nAverage Time per Bootstrap %f\n", (double)(t/((double)adef->multipleRuns))); printf("All %d bootstrapped trees written to: %s\n", adef->multipleRuns, bootstrapFileName); fprintf(infoFile, "\n\nOverall Time for %d Bootstraps %f\n", adef->multipleRuns, t); fprintf(infoFile, "Average Time per Bootstrap %f\n", (double)(t/((double)adef->multipleRuns))); fprintf(infoFile, "\n\nAll %d bootstrapped trees written to: %s\n", adef->multipleRuns, bootstrapFileName); } else { if(adef->multipleRuns > 1) { double avgLH = 0; double bestLH = unlikely; int i, bestI = 0; for(i = 0; i < adef->multipleRuns; i++) { avgLH += tr->likelihoods[i]; if(tr->likelihoods[i] > bestLH) { bestLH = tr->likelihoods[i]; bestI = i; } } avgLH /= ((double)adef->multipleRuns); printf("\n\nOverall Time for %d Inferences %f\n", adef->multipleRuns, t); printf("Average Time per Inference %f\n", (double)(t/((double)adef->multipleRuns))); printf("Average Likelihood : %f\n", avgLH); printf("\n"); printf("Best Likelihood in run number %d: likelihood %f\n\n", bestI, bestLH); if(adef->checkpoints) printf("Checkpoints written to: %s.RUN.%d.* to %d.*\n", checkpointFileName, 0, adef->multipleRuns - 1); if(!adef->restart) { if(adef->randomStartingTree) printf("Random starting trees written to: %s.RUN.%d to %d\n", randomFileName, 0, adef->multipleRuns - 1); else printf("Parsimony starting trees written to: %s.RUN.%d to %d\n", permFileName, 0, adef->multipleRuns - 1); } printf("Final trees written to: %s.RUN.%d to %d\n", resultFileName, 0, adef->multipleRuns - 1); printf("Execution Log Files written to: %s.RUN.%d to %d\n", logFileName, 0, adef->multipleRuns - 1); printf("Execution information file written to: %s\n", infoFileName); fprintf(infoFile, "\n\nOverall Time for %d Inferences %f\n", adef->multipleRuns, t); fprintf(infoFile, "Average Time per Inference %f\n", (double)(t/((double)adef->multipleRuns))); fprintf(infoFile, "Average Likelihood : %f\n", avgLH); fprintf(infoFile, "\n"); fprintf(infoFile, "Best Likelihood in run number %d: likelihood %f\n\n", bestI, bestLH); if(adef->checkpoints) fprintf(infoFile, "Checkpoints written to: %s.RUN.%d.* to %d.*\n", checkpointFileName, 0, adef->multipleRuns - 1); if(!adef->restart) { if(adef->randomStartingTree) fprintf(infoFile, "Random starting trees written to: %s.RUN.%d to %d\n", randomFileName, 0, adef->multipleRuns - 1); else fprintf(infoFile, "Parsimony starting trees written to: %s.RUN.%d to %d\n", permFileName, 0, adef->multipleRuns - 1); } fprintf(infoFile, "Final trees written to: %s.RUN.%d to %d\n", resultFileName, 0, adef->multipleRuns - 1); fprintf(infoFile, "Execution Log Files written to: %s.RUN.%d to %d\n", logFileName, 0, adef->multipleRuns - 1); fprintf(infoFile, "Execution information file written to: %s\n", infoFileName); } else { printf("\n\nOverall Time for 1 Inference %f\n", t); printf("Likelihood : %f\n", tr->likelihood); printf("\n\n"); if(adef->checkpoints) printf("Checkpoints written to: %s.*\n", checkpointFileName); if(!adef->restart) { if(adef->randomStartingTree) printf("Random starting tree written to: %s\n", randomFileName); else printf("Parsimony starting tree written to: %s\n", permFileName); } printf("Final tree written to: %s\n", resultFileName); printf("Execution Log File written to: %s\n", logFileName); printf("Execution information file written to: %s\n",infoFileName); fprintf(infoFile, "\n\nOverall Time for 1 Inference %f\n", t); fprintf(infoFile, "Likelihood : %f\n", tr->likelihood); fprintf(infoFile, "\n\n"); if(adef->checkpoints) fprintf(infoFile, "Checkpoints written to: %s.*\n", checkpointFileName); if(!adef->restart) { if(adef->randomStartingTree) fprintf(infoFile, "Random starting tree written to: %s\n", randomFileName); else fprintf(infoFile, "Parsimony starting tree written to: %s\n", permFileName); } fprintf(infoFile, "Final tree written to: %s\n", resultFileName); fprintf(infoFile, "Execution Log File written to: %s\n", logFileName); fprintf(infoFile, "Execution information file written to: %s\n",infoFileName); } } break; case CALC_BIPARTITIONS: printf("\n\nTime for Computation of Bipartitions %f\n", t); printf("Tree with bipartitions written to file: %s\n", bipartitionsFileName); printf("Execution information file written to : %s\n",infoFileName); fprintf(infoFile, "\n\nTime for Computation of Bipartitions %f\n", t); fprintf(infoFile, "Tree with bipartitions written to file: %s\n", bipartitionsFileName); break; case OPTIMIZE_RATES: if(! (adef->computePerSiteLLs || adef->treeLength)) { printf("\n\nTime for Optimization of per-site rates %f\n", t); printf("Optimized rates written to file: %s\n", ratesFileName); printf("Execution information file written to : %s\n",infoFileName); fprintf(infoFile, "\n\nTime for Optimization of per-site rates %f\n", t); fprintf(infoFile, "Optimized rates written to file: %s\n", ratesFileName); } if(adef->treeLength) { printf("\n\nTime for Optimization of per-site rates and sliding window tree length %f\n", t); printf("Optimized rates written to file: %s, \n sliding window data written to %s and %s\n", ratesFileName, lengthFileName, lengthFileNameModel); printf("Execution information file written to : %s\n",infoFileName); fprintf(infoFile, "\n\nTime for Optimization of per-site rates and sliding window tree length %f\n", t); fprintf(infoFile, "Optimized rates written to file: %s, \n sliding window data written to %s and %s\n", ratesFileName, lengthFileName, lengthFileNameModel); } if(adef->computePerSiteLLs) { printf("\n\nTime for Optimization of per-site log likelihoods %f\n", t); printf("Per-site Log Likelihoods written to File %s in Tree-Puzzle format\n", perSiteLLsFileName); printf("Execution information file written to : %s\n",infoFileName); fprintf(infoFile, "\n\nTime for Optimization of per-site log likelihoods %f\n", t); fprintf(infoFile, "Per-site Log Likelihoods written to File %s in Tree-Puzzle format\n", perSiteLLsFileName); } break; case PARSIMONY_ADDITION: printf("\n\nTime for MP stepwise addition %f\n", t); printf("Execution information file written to : %s\n",infoFileName); printf("Complete parsimony tree written to: %s\n", permFileName); fprintf(infoFile, "\n\nTime for MP stepwise addition %f\n", t); fprintf(infoFile, "Complete parsimony tree written to: %s\n", permFileName); break; default: assert(0); } fclose(infoFile); } } /********************PRINTING various INFO **************************************/ /************************************************************************************/ static void computeLHTest(tree *tr, analdef *adef, char *bootStrapFileName) { int numberOfTrees = 0, i; char ch; double bestLH, currentLH, weightSum = 0.0; double *bestVector, *otherVector; bestVector = (double*)malloc(sizeof(double) * tr->cdta->endsite); otherVector = (double*)malloc(sizeof(double) * tr->cdta->endsite); for(i = 0; i < tr->cdta->endsite; i++) weightSum += (double)(tr->cdta->aliaswgt[i]); modOpt(tr, adef); printf("Model optimization, best Tree: %f\n", tr->likelihood); bestLH = tr->likelihood; evaluateGenericInitrav(tr, tr->start); evaluateGenericVector(tr, tr->start, bestVector); INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTrees++; } rewind(INFILE); printf("Found %d trees in File %s\n", numberOfTrees, bootStrapFileName); for(i = 0; i < numberOfTrees; i++) { treeReadLen(INFILE, tr, adef); treeEvaluate(tr, 2); tr->start = tr->nodep[1]; evaluateGenericInitrav(tr, tr->start); currentLH = tr->likelihood; if(currentLH > bestLH) { printf("Better tree found %d at %f\n", i, currentLH); /*exit(1);*/ } /*printf("Tree %d %f\n",i, tr->likelihood);*/ evaluateGenericVector(tr, tr->start, otherVector); { int j; double temp, wtemp, sum, sum2, sd; sum = 0.0; sum2 = 0.0; for (j = 0; j < tr->cdta->endsite; j++) { temp = bestVector[j] - otherVector[j]; wtemp = tr->cdta->aliaswgt[j] * temp; sum += wtemp; sum2 += wtemp * temp; } sd = sqrt( weightSum * (sum2 - sum*sum / weightSum) / (weightSum - 1) ); printf("Tree: %d Likelihood: %f D(LH): %f SD: %f Significantly Worse: %s\n", i, currentLH, currentLH - bestLH, sd, (sum > 1.95996 * sd) ? "Yes" : " No"); } } fclose(INFILE); free(bestVector); free(otherVector); exit(0); } static void computePerSiteLLs(tree *tr, analdef *adef, char *bootStrapFileName) { int numberOfTrees = 0, i, j; char ch; double *otherVector; FILE *tlf; tlf = fopen( perSiteLLsFileName, "w"); otherVector = (double*)malloc(sizeof(double) * tr->cdta->endsite); allocNodex(tr, adef); INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTrees++; } rewind(INFILE); printf("Found %d trees in File %s\n", numberOfTrees, bootStrapFileName); fprintf(tlf, " %d %d\n", numberOfTrees, tr->cdta->endsite); for(i = 0; i < numberOfTrees; i++) { treeReadLen(INFILE, tr, adef); if(i == 0) modOpt(tr, adef); else treeEvaluate(tr, 2); printf("Tree %d: %f\n", i, tr->likelihood); tr->start = tr->nodep[1]; evaluateGenericInitrav(tr, tr->start); evaluateGenericVector(tr, tr->start, otherVector); fprintf(tlf, "tr%d\t", i + 1); for(j = 0; j < tr->cdta->endsite; j++) { fprintf(tlf, "%f ", otherVector[j]); } fprintf(tlf, "\n"); } fclose(INFILE); fclose(tlf); free(otherVector); } #ifdef _USE_PTHREADS #ifndef _MAC #include static void pinThread2Cpu(int myTid) { char *coreSteppingStr; int myCore, len; cpu_set_t cpuMask; coreSteppingStr = getenv("SCHEDULE"); len = coreSteppingStr ? strlen(coreSteppingStr) : 0; myCore = myTid; if (myTid < len) { if ((coreSteppingStr[myTid] >= '0') && (coreSteppingStr[myTid] <= '9')) myCore = coreSteppingStr[myTid] - '0'; if ((coreSteppingStr[myTid] >= 'a') && (coreSteppingStr[myTid] <= 'f')) myCore = coreSteppingStr[myTid] - 'a' + 10; if ((coreSteppingStr[myTid] >= 'A') && (coreSteppingStr[myTid] <= 'F')) myCore = coreSteppingStr[myTid] - 'A' + 10; } CPU_ZERO(&cpuMask); CPU_SET(myCore, &cpuMask); if (sched_setaffinity(0, sizeof(cpuMask), &cpuMask)) { printf("Error while scheduling Thread #%d to CPU %d\n", myTid, myCore); exit(1); } /* printf("Scheduled Thread #%d to logical CPU %d\n", myTid, myCore); */ return; } #endif typedef struct { tree *tr; int threadNumber; } threadData; static void calcBounds(int tid, const int n, int start, int end, int *l, int *u) { int span = end - start; /* LTD */ /* assert(span % n == 0); */ if(span % n == 0) span = span / n; else span = 1 + (span / n); *l = start + tid * span; if(tid == n - 1) *u = end; else *u = *l + span; } #ifdef _LOCAL_DATA static void strided_Bounds(int tid, int endsite, int n, int *startIndex, int *endIndex) { int endsiteL = endsite - tid; if(endsiteL % n == 0) endsiteL = endsiteL / n; else endsiteL = 1 + (endsiteL / n); *startIndex = 0; *endIndex = endsiteL; } static void collectDouble(double *dest, double *source, const int totallength, const int stride, const int offset) { int i = 0, k = offset; for(; k < totallength; i++, k += stride) dest[k] = source[i]; } static void strideTips(char **dest, char **source, const int totallength, const int stride, const int offset, const int mxtips, int strideLength) { int i, j, k; assert(offset < stride); for(i = 0; i < mxtips; i++) { char *d = &dest[i + 1][0]; char *s = &source[i + 1][0]; for(k = 0, j = offset; j < totallength; j += stride, k++) { assert(k < strideLength); d[k] = s[j]; } } } static void strideInt(int *dest, int *source, const int totallength, const int stride, const int offset) { int i, k, *d = &dest[0]; for(i = offset, k = 0; i < totallength; i += stride, k++) d[k] = source[i]; } static void strideDouble(double *dest, double *source, const int totallength, const int stride, const int offset) { int i = offset; double *d = dest; for(; i < totallength; i += stride, d++) *d = source[i]; } static void stridePartitionData(tree *localTree, int tid, int n, int length) { int i, endsite, dummy; strided_Bounds(tid, length, n, &dummy, &endsite); /* printf("%d %d\n", endsite, tid); */ for(i = 0; i < localTree->NumberOfModels; i++) { localTree->strided_partitionData[i].dataType = localTree->partitionData[i].dataType; localTree->strided_partitionData[i].protModels = localTree->strided_partitionData[i].protModels; localTree->strided_partitionData[i].protFreqs = localTree->strided_partitionData[i].protFreqs; } if(localTree->NumberOfModels > 1) { int i, model; localTree->strided_partitionData[0].lower = 0; model = localTree->strided_model[0]; i = 1; while(i < endsite) { if(localTree->strided_model[i] != model) { localTree->strided_partitionData[model].upper = i; localTree->strided_partitionData[model + 1].lower = i; model = localTree->strided_model[i]; } i++; } localTree->strided_partitionData[localTree->NumberOfModels - 1].upper = endsite; /* for(i = 0; i < localTree->NumberOfModels; i++) printf("%d %d %d\n", tid, localTree->strided_partitionData[i].lower, localTree->strided_partitionData[i].upper); */ } else { localTree->strided_partitionData[0].lower = 0; localTree->strided_partitionData[0].upper = endsite; } } inline static void sendTraversalInfo(tree *localTree, tree *tr) { /* the one below is a hack we are re-assigning the local pointer to the global one the memcpy version below is just for testing and preparing the fine-grained MPI BlueGene version */ if(1) { localTree->td[0] = tr->td[0]; } else { localTree->td[0].count = tr->td[0].count; memcpy(localTree->td[0].ti, tr->td[0].ti, localTree->td[0].count * sizeof(traversalInfo)); } } #endif static void execFunction(tree *tr, tree *localTree, const int startIndex, const int endIndex, const int parsimonyStartIndex, const int parsimonyEndIndex, int tid, int n) { double result, dlnLdlz, d2lnLdlz2; int parsimonyResult; /* new */ int currentJob; currentJob = threadJob >> 16; /* new */ switch(currentJob) /*switch(threadJob) */ { case THREAD_NEWVIEW: #ifdef _LOCAL_DATA /* send */ sendTraversalInfo(localTree, tr); newviewIterative(localTree, startIndex, endIndex); #else newviewIterative(tr, startIndex, endIndex); #endif break; /*****************************************************/ case THREAD_EVALUATE: #ifdef _LOCAL_DATA /* send */ sendTraversalInfo(localTree, tr); result = evaluateIterative(localTree, startIndex, endIndex); #else result = evaluateIterative(tr, startIndex, endIndex); #endif /* receive */ reductionBuffer[tid] = result; break; /*****************************************************/ case THREAD_SUM_MAKENEWZ: #ifdef _LOCAL_DATA /* send */ sendTraversalInfo(localTree, tr); makenewzIterative(localTree, startIndex, endIndex); #else makenewzIterative(tr, startIndex, endIndex); #endif break; /*****************************************************/ case THREAD_MAKENEWZ: #ifdef _LOCAL_DATA /* send */ localTree->modelNumber = tr->modelNumber; localTree->coreLZ = tr->coreLZ; if(localTree->multiBranch) execCore(localTree, &dlnLdlz, &d2lnLdlz2, localTree->strided_partitionData[localTree->modelNumber].lower, localTree->strided_partitionData[localTree->modelNumber].upper, localTree->modelNumber); else execCore(localTree, &dlnLdlz, &d2lnLdlz2, startIndex, endIndex, localTree->modelNumber); #else if(tr->multiBranch) { int u, l; int start = tr->partitionData[tr->modelNumber].lower; int end = tr->partitionData[tr->modelNumber].upper; calcBounds(tid, n, start, end, &l, &u); execCore(tr, &dlnLdlz, &d2lnLdlz2, l, u, tr->modelNumber); } else { execCore(tr, &dlnLdlz, &d2lnLdlz2, startIndex, endIndex, tr->modelNumber); } #endif /* receive */ reductionBuffer[tid] = dlnLdlz; reductionBufferTwo[tid] = d2lnLdlz2; break; /*****************************************************/ case THREAD_SUM_MAKENEWZ_PARTITION: { int u, l, start, end; #ifdef _LOCAL_DATA /* TODO */ assert(0); /* only required for a rarely used, undocumented function */ #endif start = tr->partitionData[tr->modelNumber].lower; end = tr->partitionData[tr->modelNumber].upper; calcBounds(tid, n, start, end, &l, &u); makenewzIterativePartition(tr, l, u, tr->modelNumber); } break; /*****************************************************/ case THREAD_MAKENEWZ_PARTITION: { int u, l, start, end; #ifdef _LOCAL_DATA /* TODO */ assert(0); /* only required for a rarely used, undocumented function */ #endif start = tr->partitionData[tr->modelNumber].lower; end = tr->partitionData[tr->modelNumber].upper; calcBounds(tid, n, start, end, &l, &u); execCorePartition(tr, &dlnLdlz, &d2lnLdlz2, l, u, tr->modelNumber); reductionBuffer[tid] = dlnLdlz; reductionBufferTwo[tid] = d2lnLdlz2; } break; /*****************************************************/ case THREAD_NEWVIEW_PARTITION: #ifdef _LOCAL_DATA /* send */ localTree->modelNumber = tr->modelNumber; sendTraversalInfo(localTree, tr); newviewIterativePartition(localTree, localTree->strided_partitionData[localTree->modelNumber].lower, localTree->strided_partitionData[localTree->modelNumber].upper, localTree->modelNumber); #else { int u, l; int start = tr->partitionData[tr->modelNumber].lower; int end = tr->partitionData[tr->modelNumber].upper; calcBounds(tid, n, start, end, &l, &u); newviewIterativePartition(tr, l, u, tr->modelNumber); } #endif break; /*****************************************************/ case THREAD_EVALUATE_PARTITION: #ifdef _LOCAL_DATA /* send */ localTree->modelNumber = tr->modelNumber; sendTraversalInfo(localTree, tr); result = evaluateIterativePartition(localTree, localTree->strided_partitionData[localTree->modelNumber].lower, localTree->strided_partitionData[localTree->modelNumber].upper, localTree->modelNumber); #else { int u, l; int start = tr->partitionData[tr->modelNumber].lower; int end = tr->partitionData[tr->modelNumber].upper; calcBounds(tid, n, start, end, &l, &u); result = evaluateIterativePartition(tr, l, u, tr->modelNumber); } #endif /* receive */ reductionBuffer[tid] = result; break; /*****************************************************/ case THREAD_RATE_CATS: #ifdef _LOCAL_DATA /* send */ sendTraversalInfo(localTree, tr); localTree->lower_spacing = tr->lower_spacing; localTree->upper_spacing = tr->upper_spacing; optRateCat_LOCAL(localTree, startIndex, endIndex, localTree->lower_spacing, localTree->upper_spacing, localTree->strided_lhs); /* receive */ collectDouble(tr->cdta->patrat, localTree->strided_patrat, tr->cdta->endsite, n, tid); collectDouble(tr->cdta->patratStored, localTree->strided_patratStored, tr->cdta->endsite, n, tid); collectDouble(tr->lhs, localTree->strided_lhs, tr->cdta->endsite, n, tid); #else { int i; for(i = 0; i < tr->cdta->endsite; i++) if(i % n == tid) optRateCat(tr, i, tr->lower_spacing, tr->upper_spacing, tr->lhs); } #endif break; /*****************************************************/ case THREAD_NEWVIEW_PARSIMONY: #ifdef _LOCAL_DATA /* send */ sendTraversalInfo(localTree, tr); newviewParsimonyIterative(localTree, parsimonyStartIndex, parsimonyEndIndex); #else newviewParsimonyIterative(tr, parsimonyStartIndex, parsimonyEndIndex); #endif break; /*****************************************************/ case THREAD_EVALUATE_PARSIMONY: #ifdef _LOCAL_DATA /* send */ sendTraversalInfo(localTree, tr); parsimonyResult = evaluateParsimonyIterative(localTree, parsimonyStartIndex, parsimonyEndIndex); #else parsimonyResult = evaluateParsimonyIterative(tr, parsimonyStartIndex, parsimonyEndIndex); #endif /* receive */ reductionBufferParsimony[tid] = parsimonyResult; break; /*****************************************************/ case THREAD_EVALUATE_VECTOR: #ifdef _LOCAL_DATA sendTraversalInfo(localTree, tr); evaluateGenericVectorIterative(localTree, startIndex, endIndex); collectDouble(tr->siteLL_Vector, localTree->strided_siteLL_Vector, tr->cdta->endsite, n, tid); /* TODO */ /* assert(0);*/ /* rarely used function */ #else evaluateGenericVectorIterative(tr, startIndex, endIndex); #endif break; /*****************************************************/ case THREAD_CATEGORIZE: #ifdef _LOCAL_DATA { int i; /* send */ sendTraversalInfo(localTree, tr); for(i = 0; i < localTree->NumberOfModels; i++) { localTree->strided_patrat[i * 4] = localTree->gammaRates[i * 4]; localTree->strided_patrat[i * 4 + 1] = localTree->gammaRates[i * 4 + 1]; localTree->strided_patrat[i * 4 + 2] = localTree->gammaRates[i * 4 + 2]; localTree->strided_patrat[i * 4 + 3] = localTree->gammaRates[i * 4 + 3]; assert(i * 4 + 3 < localTree->originalCrunchedLength); } localTree->NumberOfCategories = 4 * localTree->NumberOfModels; categorizeIterative(localTree, startIndex, endIndex); for(i = startIndex; i < endIndex; i++) { double temp, wtemp; temp = localTree->gammaRates[localTree->strided_rateCategory[i]]; localTree->strided_wr[i] = wtemp = temp * localTree->strided_aliaswgt[i]; localTree->strided_wr2[i] = temp * wtemp; } } #else categorizeIterative(tr, startIndex, endIndex); #endif break; /*****************************************************/ #ifdef _LOCAL_DATA case THREAD_PREPARE_PARSIMONY: /*printf("THREAD_PREPARE_PARSIMONY\n"); */ if(tid > 0) { localTree->parsimonyLength = tr->parsimonyLength; memcpy(localTree->partitionData , tr->partitionData, sizeof(pInfo) * localTree->NumberOfModels); } strideInt(localTree->strided_model, tr->model, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_dataVector, tr->dataVector, localTree->originalCrunchedLength, n, tid); stridePartitionData(localTree, tid, n, localTree->parsimonyLength); strideTips(localTree->strided_yVector, tr->yVector, localTree->originalCrunchedLength, n, tid, localTree->mxtips, localTree->strideLength); strideInt(localTree->strided_aliaswgt, tr->cdta->aliaswgt, localTree->originalCrunchedLength, n, tid); localTree->mySpan = 1 + (localTree->parsimonyLength / n); localTree->parsimonyData = (parsimonyVector *)malloc(sizeof(parsimonyVector) * localTree->mxtips * localTree->mySpan); break; /*****************************************************/ case THREAD_FINISH_PARSIMONY: free(localTree->parsimonyData); if(tid > 0) { localTree->cdta->endsite = tr->cdta->endsite; memcpy(localTree->partitionData , tr->partitionData, sizeof(pInfo) * localTree->NumberOfModels); } strideInt(localTree->strided_model, tr->model, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_dataVector, tr->dataVector, localTree->originalCrunchedLength, n, tid); stridePartitionData(localTree, tid, n, localTree->cdta->endsite); strideTips(localTree->strided_yVector, tr->yVector, localTree->originalCrunchedLength, n, tid, localTree->mxtips, localTree->strideLength); strideInt(localTree->strided_aliaswgt, tr->cdta->aliaswgt, localTree->originalCrunchedLength, n, tid); break; /*****************************************************/ case THREAD_ALLOC_LIKELIHOOD: /*printf("THREAD_ALLOC_LIKELIHOOD\n");*/ { int span, i; localTree->likelihoodFunction = tr->likelihoodFunction; localTree->currentModel = tr->currentModel; localTree->cdta->endsite = tr->cdta->endsite; localTree->mySpan = 1 + (localTree->cdta->endsite / n); localTree->expArray = (int *)malloc(localTree->mySpan * localTree->mxtips * sizeof(int)); if(localTree->mixedData) { assert(0); } else { switch(localTree->currentModel) { case M_PROTCAT: span = 20 * localTree->mySpan; localTree->sumBuffer = (double *)malloc(20 * localTree->strideLength * sizeof(double)); break; case M_PROTGAMMA: span = 80 * localTree->mySpan; localTree->sumBuffer = (double *)malloc(80 * localTree->strideLength * sizeof(double)); break; case M_GTRGAMMA: span = 16 * localTree->mySpan; localTree->sumBuffer = (double *)malloc(16 * localTree->strideLength * sizeof(double)); break; case M_GTRCAT: span = 4 * localTree->mySpan; localTree->sumBuffer = (double *)malloc(4 * localTree->strideLength * sizeof(double)); break; default: assert(0); } localTree->likelihoodArray = (double *)malloc(span * localTree->mxtips * sizeof(double)); } for(i = 0; i < localTree->mxtips; i++) localTree->xVector[i] = &(localTree->likelihoodArray[i * span]); } break; /*****************************************************/ case THREAD_FREE_LIKELIHOOD: free(localTree->expArray); free(localTree->likelihoodArray); free(localTree->sumBuffer); localTree->expArray = (int*)NULL; localTree->likelihoodArray = (double*)NULL; localTree->sumBuffer = (double*)NULL; break; /*****************************************************/ case THREAD_COPY_REVERSIBLE: if(tid > 0) { memcpy(localTree->tipVectorDNA, tr->tipVectorDNA, localTree->NumberOfModels * 64 * sizeof(double)); memcpy(localTree->tipVectorAA, tr->tipVectorAA, localTree->NumberOfModels * 460 * sizeof(double)); memcpy(localTree->EV_DNA, tr->EV_DNA, localTree->NumberOfModels * 16 * sizeof(double)); memcpy(localTree->EV_AA, tr->EV_AA, localTree->NumberOfModels * 400 * sizeof(double)); memcpy(localTree->EI_DNA, tr->EI_DNA, localTree->NumberOfModels * 12 * sizeof(double)); memcpy(localTree->EI_AA, tr->EI_AA, localTree->NumberOfModels * 380 * sizeof(double)); memcpy(localTree->EIGN_DNA, tr->EIGN_DNA, localTree->NumberOfModels * 3 * sizeof(double)); memcpy(localTree->EIGN_AA, tr->EIGN_AA, localTree->NumberOfModels * 19 * sizeof(double)); } break; /*****************************************************/ case THREAD_COPY_RATE_CATS: if(tid > 0) localTree->NumberOfCategories = tr->NumberOfCategories; strideInt(localTree->strided_rateCategory, tr->cdta->rateCategory, localTree->originalCrunchedLength, n, tid); memcpy(localTree->strided_patrat, tr->cdta->patrat, localTree->originalCrunchedLength * sizeof(double)); strideDouble(localTree->strided_patratStored, tr->cdta->patratStored, localTree->originalCrunchedLength, n, tid); strideDouble(localTree->strided_wr, tr->cdta->wr, localTree->originalCrunchedLength, n, tid); strideDouble(localTree->strided_wr2, tr->cdta->wr2, localTree->originalCrunchedLength, n, tid); break; /*****************************************************/ case THREAD_COPY_GAMMA_RATES: if(tid > 0) memcpy(localTree->gammaRates, tr->gammaRates, localTree->NumberOfModels * 4 * sizeof(double)); break; /*****************************************************/ case THREAD_COPY_INVARIANTS: if(tid > 0) memcpy(localTree->invariants, tr->invariants, localTree->NumberOfModels * sizeof(double)); break; /*****************************************************/ case THREAD_COPY_INIT_MODEL: /* printf("THREAD_COPY_INIT_MODEL\n"); */ if(tid > 0) { localTree->NumberOfCategories = tr->NumberOfCategories; localTree->likelihoodFunction = tr->likelihoodFunction; localTree->cdta->endsite = tr->cdta->endsite; memcpy(localTree->tipVectorDNA, tr->tipVectorDNA, localTree->NumberOfModels * 64 * sizeof(double)); memcpy(localTree->tipVectorAA, tr->tipVectorAA, localTree->NumberOfModels * 460 * sizeof(double)); memcpy(localTree->EV_DNA, tr->EV_DNA, localTree->NumberOfModels * 16 * sizeof(double)); memcpy(localTree->EV_AA, tr->EV_AA, localTree->NumberOfModels * 400 * sizeof(double)); memcpy(localTree->EI_DNA, tr->EI_DNA, localTree->NumberOfModels * 12 * sizeof(double)); memcpy(localTree->EI_AA, tr->EI_AA, localTree->NumberOfModels * 380 * sizeof(double)); memcpy(localTree->EIGN_DNA, tr->EIGN_DNA, localTree->NumberOfModels * 3 * sizeof(double)); memcpy(localTree->EIGN_AA, tr->EIGN_AA, localTree->NumberOfModels * 19 * sizeof(double)); memcpy(localTree->frequencies_DNA, tr->frequencies_DNA, localTree->NumberOfModels * 4 * sizeof(double)); memcpy(localTree->frequencies_AA, tr->frequencies_AA, localTree->NumberOfModels * 20 * sizeof(double)); memcpy(localTree->invariants, tr->invariants, localTree->NumberOfModels * sizeof(double)); memcpy(localTree->gammaRates, tr->gammaRates, localTree->NumberOfModels * 4 * sizeof(double)); memcpy(localTree->partitionData , tr->partitionData, sizeof(pInfo) * localTree->NumberOfModels); } strideInt(localTree->strided_model, tr->model, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_dataVector, tr->dataVector, localTree->originalCrunchedLength, n, tid); stridePartitionData(localTree, tid, n, localTree->cdta->endsite); strideInt(localTree->strided_rateCategory, tr->cdta->rateCategory, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_aliaswgt, tr->cdta->aliaswgt, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_invariant, tr->invariant, localTree->originalCrunchedLength, n, tid); memcpy(localTree->strided_patrat, tr->cdta->patrat, localTree->originalCrunchedLength * sizeof(double)); strideDouble(localTree->strided_patratStored, tr->cdta->patratStored, localTree->originalCrunchedLength, n, tid); strideDouble(localTree->strided_wr, tr->cdta->wr, localTree->originalCrunchedLength, n, tid); strideDouble(localTree->strided_wr2, tr->cdta->wr2, localTree->originalCrunchedLength, n, tid); strideTips(localTree->strided_yVector, tr->yVector, localTree->originalCrunchedLength, n, tid, localTree->mxtips, localTree->strideLength); break; /*****************************************************/ case THREAD_NEXT_REPLICATE: /* printf("THREAD_NEXT_REPLICATE\n"); */ if(tid > 0) { localTree->cdta->endsite = tr->cdta->endsite; memcpy(localTree->partitionData , tr->partitionData, sizeof(pInfo) * localTree->NumberOfModels); } strideInt(localTree->strided_model, tr->model, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_dataVector, tr->dataVector, localTree->originalCrunchedLength, n, tid); stridePartitionData(localTree, tid, n, localTree->cdta->endsite); strideInt(localTree->strided_aliaswgt, tr->cdta->aliaswgt, localTree->originalCrunchedLength, n, tid); strideInt(localTree->strided_rateCategory, tr->cdta->rateCategory, localTree->originalCrunchedLength, n, tid); strideDouble(localTree->strided_wr, tr->cdta->wr, localTree->originalCrunchedLength, n, tid); strideDouble(localTree->strided_wr2, tr->cdta->wr2, localTree->originalCrunchedLength, n, tid); memcpy(localTree->strided_patrat, tr->cdta->patrat, localTree->originalCrunchedLength * sizeof(double)); strideTips(localTree->strided_yVector, tr->yVector, localTree->originalCrunchedLength, n, tid, localTree->mxtips, localTree->strideLength); break; #endif default: assert(0); } } void masterBarrier(int jobType, tree *tr) { const int n = NumberOfThreads; int startIndex, endIndex, i, sum, parsimonyStartIndex, parsimonyEndIndex; /* new */ jobCycle = !jobCycle; threadJob = (jobType << 16) + jobCycle; /* old threadJob = jobType; jobCycle = !jobCycle; */ #ifdef _LOCAL_DATA strided_Bounds(0, tr->cdta->endsite, n, &startIndex, &endIndex); strided_Bounds(0, tr->parsimonyLength, n, &parsimonyStartIndex, &parsimonyEndIndex); #else calcBounds(0, n, 0, tr->parsimonyLength, &parsimonyStartIndex, &parsimonyEndIndex); calcBounds(0, n, 0, tr->cdta->endsite, &startIndex, &endIndex); #endif execFunction(tr, tr, startIndex, endIndex, parsimonyStartIndex, parsimonyEndIndex, 0, n); do { for(i = 1, sum = 1; i < n; i++) sum += barrierBuffer[i]; } while(sum < n); for(i = 1; i < n; i++) barrierBuffer[i] = 0; /*threadJob = -1; */ } #ifdef _LOCAL_DATA static void allocStrides(tree *tr) { int i; if(tr->numBranches < NUM_BRANCHES) { printf("PERFORMANCE WARNING: for optimal efficiency on this dataset\n"); printf("set NUM_BRANCHES to %d in file axml.h an re-compile\n", tr->numBranches); } tr->strideLength = 1 + (tr->originalCrunchedLength / NumberOfThreads); tr->strided_y0 = (char *)malloc(tr->strideLength * tr->mxtips * sizeof(char)); tr->strided_yVector = (char **)malloc((tr->mxtips + 1) * sizeof(char *)); for(i = 0; i < tr->mxtips; i++) tr->strided_yVector[i + 1] = &(tr->strided_y0[tr->strideLength * i]); tr->strided_aliaswgt = (int *)malloc(sizeof(int) * tr->strideLength); tr->strided_invariant = (int *)malloc(sizeof(int) * tr->strideLength); tr->strided_model = (int *)malloc(sizeof(int) * tr->strideLength); tr->strided_rateCategory = (int *)malloc(sizeof(int) * tr->strideLength); tr->strided_dataVector = (int *)malloc(sizeof(int) * tr->strideLength); tr->strided_wr = (double *)malloc(sizeof(double) * tr->strideLength); tr->strided_wr2 = (double *)malloc(sizeof(double) * tr->strideLength); tr->strided_siteLL_Vector = (double *)malloc(sizeof(double) * tr->strideLength); /* this is a bit ugly here */ tr->strided_patrat = (double *)malloc(sizeof(double) * tr->originalCrunchedLength); tr->strided_patratStored = (double *)malloc(sizeof(double) * tr->strideLength); tr->strided_lhs = (double *)malloc(sizeof(double) * tr->strideLength); tr->strided_partitionData = (pInfo*)malloc(sizeof(pInfo) * tr->NumberOfModels); } #endif static void *likelihoodThread(void *tData) { threadData *td = (threadData*)tData; tree *tr = td->tr; tree *localTree = (tree *)malloc(sizeof(tree)); int parsimonyStartIndex, parsimonyEndIndex, startIndex, endIndex, myCycle = 0; const int n = NumberOfThreads; const int tid = td->threadNumber; #ifdef _LOCAL_DATA cruncheddata *cdta = (cruncheddata *)malloc(sizeof(cruncheddata)); #endif #ifndef _MAC pinThread2Cpu(tid); #endif #ifdef _LOCAL_DATA localTree->expArray = (int*)NULL; localTree->likelihoodArray = (double*)NULL; localTree->sumBuffer = (double*)NULL; localTree->cdta = cdta; localTree->mixedData = tr->mixedData; localTree->NumberOfModels = tr->NumberOfModels; localTree->mxtips = tr->mxtips; localTree->originalCrunchedLength = tr->originalCrunchedLength; localTree->multiBranch = tr->multiBranch; localTree->numBranches = tr->numBranches; localTree->tipVectorDNA = (double *)malloc(localTree->NumberOfModels * 64 * sizeof(double)); localTree->tipVectorAA = (double *)malloc(localTree->NumberOfModels * 460 * sizeof(double)); localTree->EV_DNA = (double *)malloc(localTree->NumberOfModels * 16 * sizeof(double)); localTree->EV_AA = (double *)malloc(localTree->NumberOfModels * 400 * sizeof(double)); localTree->EI_DNA = (double *)malloc(localTree->NumberOfModels * 12 * sizeof(double)); localTree->EI_AA = (double *)malloc(localTree->NumberOfModels * 380 * sizeof(double)); localTree->EIGN_DNA = (double *)malloc(localTree->NumberOfModels * 3 * sizeof(double)); localTree->EIGN_AA = (double *)malloc(localTree->NumberOfModels * 19 * sizeof(double)); localTree->frequencies_DNA = (double *)malloc(localTree->NumberOfModels * 4 * sizeof(double)); localTree->frequencies_AA = (double *)malloc(localTree->NumberOfModels * 20 * sizeof(double)); localTree->initialRates_DNA = (double *)malloc(localTree->NumberOfModels * 5 * sizeof(double)); localTree->initialRates_AA = (double *)malloc(localTree->NumberOfModels * 190 * sizeof(double)); localTree->xVector = (double **)malloc(localTree->mxtips * sizeof(double *)); localTree->gammaRates = (double *)malloc(localTree->NumberOfModels * 4 * sizeof(double)); localTree->invariants = (double *)malloc(localTree->NumberOfModels * sizeof(double)); localTree->model = (int *) malloc(localTree->originalCrunchedLength * sizeof(int)); localTree->partitionData = (pInfo*)malloc(sizeof(pInfo) * localTree->NumberOfModels); localTree->td[0].count = 0; localTree->td[0].ti = (traversalInfo *)malloc(sizeof(traversalInfo) * localTree->mxtips); localTree->NumberOfCategories = tr->NumberOfCategories; allocStrides(localTree); #endif printf("\nThis is RAxML Worker Pthread Number: %d\n", tid); while(1) { /* old while (myCycle == jobCycle); myCycle = !myCycle; */ /* new */ while (myCycle == threadJob); myCycle = threadJob; #ifdef _LOCAL_DATA strided_Bounds(tid, localTree->cdta->endsite, n, &startIndex, &endIndex); strided_Bounds(tid, localTree->parsimonyLength, n, &parsimonyStartIndex, &parsimonyEndIndex); #else calcBounds(tid, n, 0, tr->cdta->endsite, &startIndex, &endIndex); calcBounds(tid, n, 0, tr->parsimonyLength, &parsimonyStartIndex, &parsimonyEndIndex); #endif execFunction(tr, localTree, startIndex, endIndex, parsimonyStartIndex, parsimonyEndIndex, tid, n); barrierBuffer[tid] = 1; } return (void*)NULL; } static void startPthreads(tree *tr) { pthread_t *threads; pthread_attr_t attr; int rc, t; threadData *tData; /* TODO pthread_attr_getstackaddr and pthread_attr_setstackaddr */ jobCycle = 0; /* old */ /* threadJob = -1; */ /* new */ threadJob = 0; printf("\nThis is the RAxML Master Pthread\n"); pthread_attr_init(&attr); pthread_attr_setdetachstate(&attr, PTHREAD_CREATE_DETACHED); threads = (pthread_t *)malloc(NumberOfThreads * sizeof(pthread_t)); tData = (threadData *)malloc(NumberOfThreads * sizeof(threadData)); reductionBuffer = (double *)malloc(sizeof(double) * NumberOfThreads); reductionBufferTwo = (double *)malloc(sizeof(double) * NumberOfThreads); reductionBufferParsimony = (int *)malloc(sizeof(int) * NumberOfThreads); barrierBuffer = (int *)malloc(sizeof(int) * NumberOfThreads); #ifdef _LOCAL_DATA allocStrides(tr); #endif for(t = 0; t < NumberOfThreads; t++) barrierBuffer[t] = 0; #ifndef _MAC pinThread2Cpu(0); #endif for(t = 1; t < NumberOfThreads; t++) { tData[t].tr = tr; tData[t].threadNumber = t; rc = pthread_create(&threads[t], &attr, likelihoodThread, (void *)(&tData[t])); if(rc) { printf("ERROR; return code from pthread_create() is %d\n", rc); exit(-1); } } } #endif /*************************************************************************************************************************************************************/ typedef struct { double lh; int tree; double weight; } elw; static int elwCompare(const void *p1, const void *p2) { elw *rc1 = (elw *)p1; elw *rc2 = (elw *)p2; double i = rc1->weight; double j = rc2->weight; if (i > j) return (-1); if (i < j) return (1); return (0); } static void computeELW(tree *tr, analdef *adef, char *bootStrapFileName) { int numberOfTrees = 0, i, k; char ch; /* double bestLH = unlikely, elwSum = 0.0; */ FILE *infoFile; int *originalRateCategories = (int*)malloc(tr->cdta->endsite * sizeof(int)); int *originalInvariant = (int*)malloc(tr->cdta->endsite * sizeof(int)); long startSeed; double **lhs; double **lhweights; elw *bootweights; infoFile = fopen(infoFileName, "a"); initModel(tr, tr->rdta, tr->cdta, adef); allocNodex(tr, adef); INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTrees++; } rewind(INFILE); if(numberOfTrees < 2) { printf("Error, there is only one tree in file %s which you want to use to conduct an ELW test\n", bootStrapFileName); exit(-1); } printf("\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); fprintf(infoFile, "\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); bootweights = (elw *)malloc(sizeof(elw) * numberOfTrees); lhs = (double **)malloc(sizeof(double *) * numberOfTrees); for(k = 0; k < numberOfTrees; k++) lhs[k] = (double *)malloc(sizeof(double) * adef->multipleRuns); lhweights = (double **)malloc(sizeof(double *) * numberOfTrees); for(k = 0; k < numberOfTrees; k++) lhweights[k] = (double *)malloc(sizeof(double) * adef->multipleRuns); treeReadLen(INFILE, tr, adef); modOpt(tr, adef); rewind(INFILE); /* This is for testing only ! for(i = 0; i < numberOfTrees; i++) { treeReadLen(INFILE, tr, adef); treeEvaluate(tr, 2.0); bootweights[i].lh = tr->likelihood; } rewind(INFILE); */ printf("Model optimization, first Tree: %f\n", tr->likelihood); fprintf(infoFile, "Model optimization, first Tree: %f\n", tr->likelihood); memcpy(originalRateCategories, tr->cdta->rateCategory, sizeof(int) * tr->cdta->endsite); memcpy(originalInvariant, tr->invariant, sizeof(int) * tr->cdta->endsite); assert(adef->boot > 0); /* this is ugly, should be passed as param to computenextreplicate() */ startSeed = adef->boot; for(i = 0; i < numberOfTrees; i++) { treeReadLen(INFILE, tr, adef); resetBranches(tr); adef->rapidBoot = startSeed; for(k = 0; k < adef->multipleRuns; k++) { computeNextReplicate(tr, adef, originalRateCategories, originalInvariant); if(k == 0) treeEvaluate(tr, 2.0); else treeEvaluate(tr, 0.5); /*printf("%d %d %f\n", i, k, tr->likelihood);*/ lhs[i][k] = tr->likelihood; } reductionCleanup(tr, adef, originalRateCategories, originalInvariant); } for(k = 0; k < adef->multipleRuns; k++) { double best = unlikely; double sum = 0.0; for(i = 0; i < numberOfTrees; i++) if(lhs[i][k] > best) best = lhs[i][k]; for(i = 0; i < numberOfTrees; i++) lhweights[i][k] = exp(lhs[i][k] - best); for(i = 0; i < numberOfTrees; i++) sum += lhweights[i][k]; for(i = 0; i < numberOfTrees; i++) lhweights[i][k] = lhweights[i][k] / sum; } for(i = 0; i < numberOfTrees; i++) { double sum = 0.0; for(k = 0; k < adef->multipleRuns; k++) sum += lhweights[i][k]; bootweights[i].weight = sum / ((double)adef->multipleRuns); bootweights[i].tree = i; } qsort(bootweights, numberOfTrees, sizeof(elw), elwCompare); { double sum = 0.0; /*printf("Tree\t Posterior Probability \t Cumulative posterior probability \t Original Likelihood\n");*/ printf("Tree\t Posterior Probability \t Cumulative posterior probability\n"); fprintf(infoFile, "Tree\t Posterior Probability \t Cumulative posterior probability\n"); for(i = 0; i < numberOfTrees; i++) { sum += bootweights[i].weight; /*printf("%d\t\t %f \t\t %f \t\t\t %f\n", bootweights[i].tree, bootweights[i].weight, sum, bootweights[i].lh);*/ printf("%d\t\t %f \t\t %f\n", bootweights[i].tree, bootweights[i].weight, sum); fprintf(infoFile, "%d\t\t %f \t\t %f\n", bootweights[i].tree, bootweights[i].weight, sum); } } free(originalRateCategories); free(originalInvariant); fclose(INFILE); fclose(infoFile); exit(0); } int main (int argc, char *argv[]) { rawdata *rdta; cruncheddata *cdta; tree *tr; analdef *adef; #ifdef PARALLEL MPI_Init(&argc, &argv); MPI_Comm_rank(MPI_COMM_WORLD, &processID); MPI_Comm_size(MPI_COMM_WORLD, &numOfWorkers); if(processID == 0) printf("\nThis is the RAxML MPI Master process\n"); else printf("\nThis is the RAxML MPI Worker Process Number: %d\n", processID); #else processID = 0; #endif masterTime = gettime(); adef = (analdef *)malloc(sizeof(analdef)); rdta = (rawdata *)malloc(sizeof(rawdata)); cdta = (cruncheddata *)malloc(sizeof(cruncheddata)); tr = (tree *)malloc(sizeof(tree)); initAdef(adef); get_args(argc,argv, adef, tr); if(adef->model == M_PROTCAT || adef->model == M_GTRCAT) tr->rateHetModel = CAT; else { if(adef->useInvariant) tr->rateHetModel = GAMMA_I; else tr->rateHetModel = GAMMA; } /* This is a very ugly numerical bug fix, that intends to avoid the unaesthetic phenomena that can occur during model param optimization due to the dependency between parameters alpha and invar which are NOT independent from each other. When using P-Invar set likelihood epsilon to a lower value! TODO-MIX this is very ugly ! */ if(adef->useInvariant && adef->likelihoodEpsilon > 0.001) adef->likelihoodEpsilon = 0.001; readData(adef, rdta, cdta, tr); checkOutgroups(tr, adef); makeFileNames(); if(adef->useExcludeFile) { handleExcludeFile(tr, adef, rdta); exit(0); } if(adef->mode != SEQUENCE_SIMILARITY_FILTER) { checkSequences(tr, rdta, adef); } else { reduceBySequenceSimilarity(tr, rdta, adef); exit(0); } if(adef->mode == SPLIT_MULTI_GENE) { splitMultiGene(tr, rdta); exit(0); } if(adef->mode == CHECK_ALIGNMENT) { printf("Alignment format can be read by RAxML \n"); exit(0); } makeweights(adef, rdta, cdta, tr); makevalues(rdta, cdta, tr, adef); if(adef->generateBS) { generateBS(tr, adef); exit(0); } #ifdef _USE_PTHREADS startPthreads(tr); #endif if(adef->computeELW) computeELW(tr, adef, bootStrapFile); if(adef->boot) makeboot(adef, tr); initModel(tr, rdta, cdta, adef); printModelAndProgramInfo(tr, adef, argc, argv); if(adef->bootStopOnly > 0) { computeBootStopOnly(tr, adef, bootStrapFile); exit(0); } switch(adef->mode) { case ARNDT_MODE: printf("OPT_ARNDT\n"); getStartingTree(tr, adef); optimizeArndt(tr, adef); break; case MEHRING_ALGO: getStartingTree(tr, adef); determineSequencePosition(tr, adef); break; case PARSIMONY_ADDITION: getStartingTree(tr, adef); printStartingTree(tr, adef, TRUE); break; case OPTIMIZE_RATES: if(adef->computePerSiteLLs) computePerSiteLLs(tr, adef, bootStrapFile); else optimizeRatesOnly(tr, adef); break; case TREE_EVALUATION: getStartingTree(tr, adef); if(adef->likelihoodTest) computeLHTest(tr, adef, bootStrapFile); else { modOpt(tr, adef); printLog(tr, adef, TRUE); printResult(tr, adef, TRUE); break; } case CALC_BIPARTITIONS: calcBipartitions(tr, adef, tree_file, bootStrapFile); break; case BIG_RAPID_MODE: if(adef->boot) doBootstrap(tr, adef, rdta, cdta); else { if(adef->rapidBoot) { #ifdef _VINCENT doAllInOneVincent(tr, adef); #else doAllInOne(tr, adef); #endif } else doInference(tr, adef, rdta, cdta); } break; default: assert(0); } finalizeInfoFile(tr, adef); #ifdef PARALLEL MPI_Finalize(); #endif return 0; } ./arbsrc_9167/GDE/RAxML/axml.h0000644012664100000130000007647211213220010015571 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses * with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #include #ifdef PARALLEL #define COMPUTE_TREE 0 #define TREE 1 #define BS_TREE 2 #define ML_TREE 3 #define FINALIZE 4 #define JOB_REQUEST 5 #define PRINT_TREE 6 #define I_PRINTED_IT 7 #endif #define smoothings 32 /* maximum smoothing passes through tree */ #define iterations 10 /* maximum iterations of iterations per insert */ #define newzpercycle 1 /* iterations of makenewz per tree traversal */ #define nmlngth 100 /* number of characters in species name */ #define deltaz 0.00001 /* test of net branch length change in update */ #define defaultz 0.9 /* value of z assigned as starting point */ #define unlikely -1.0E300 /* low likelihood for initialization */ #define largeDouble 1.0E300 /* same as positive number */ #define SUMMARIZE_LENGTH -3 #define SUMMARIZE_LH -2 #define NO_BRANCHES -1 #define zmin 1.0E-15 /* max branch prop. to -log(zmin) (= 34) */ #define zmax (1.0 - 1.0E-6) /* min branch prop. to 1.0-zmax (= 1.0E-6) */ #define twotothe256 \ 115792089237316195423570985008687907853269984665640564039457584007913129639936.0 /* 2**256 (exactly) */ #define minlikelihood (1.0/twotothe256) #define minusminlikelihood -minlikelihood #define badRear -1 #define NUM_BRANCHES 128 #define TRUE 1 #define FALSE 0 #define treeNone 0 #define treeNewick 1 #define treeProlog 2 #define treePHYLIP 3 #define treeMaxType 3 #define treeDefType treePHYLIP #define LIKELIHOOD_EPSILON 0.0000001 #define AA_SCALE 10.0 #define AA_SCALE_PLUS_EPSILON 10.001 /* ALPHA_MIN is critical -> numerical instability, eg for 4 discrete rate cats */ /* and alpha = 0.01 the lowest rate r_0 is */ /* 0.00000000000000000000000000000000000000000000000000000000000034878079110511010487 */ /* which leads to numerical problems Table for alpha settings below: */ /* */ /* 0.010000 0.00000000000000000000000000000000000000000000000000000000000034878079110511010487 */ /* 0.010000 yielded nasty numerical bugs in at least one case ! */ /* 0.020000 0.00000000000000000000000000000044136090435925743185910935350715027016962154188875 */ /* 0.030000 0.00000000000000000000476844846859006690412039180149775802624789852441798419292220 */ /* 0.040000 0.00000000000000049522423236954066431210260930029681736928018820007024736185030633 */ /* 0.050000 0.00000000000050625351310359203371872643495343928538368616365517027588794007897377 */ /* 0.060000 0.00000000005134625283884191118711474021861409372524676086868566926568746566772461 */ /* 0.070000 0.00000000139080650074206434685544624965062437960128249869740102440118789672851562 */ /* 0.080000 0.00000001650681201563587066858709818343436959153791576682124286890029907226562500 */ /* 0.090000 0.00000011301977332931251259273962858978301859735893231118097901344299316406250000 */ /* 0.100000 0.00000052651925834844387815526344648331402709118265192955732345581054687500000000 */ #define ALPHA_MIN 0.02 #define ALPHA_MAX 1000.0 #define RATE_MIN 0.0000001 #define RATE_MAX 1000000.0 #define INVAR_MIN 0.0001 #define INVAR_MAX 0.9999 #define TT_MIN 0.0000001 #define TT_MAX 1000000.0 #define FREQ_MIN 0.000001 /* TO AVOID NUMERICAL PROBLEMS WHEN FREQ == 0 IN PARTITIONED MODELS, ESPECIALLY WITH AA */ #define MODEL_EPSILON 0.0001 #define ITMAX 100 #define SHFT(a,b,c,d) (a)=(b);(b)=(c);(c)=(d); #define SIGN(a,b) ((b) > 0.0 ? fabs(a) : -fabs(a)) #define ABS(x) (((x)<0) ? (-(x)) : (x)) #define MIN(x,y) (((x)<(y)) ? (x) : (y)) #define MAX(x,y) (((x)>(y)) ? (x) : (y)) #define NINT(x) ((int) ((x)>0 ? ((x)+0.5) : ((x)-0.5))) #define PointGamma(prob,alpha,beta) PointChi2(prob,2.0*(alpha))/(2.0*(beta)) #define programName "RAxML" #define programVersion "7.0.3" #define programDate "March 2008" #define TREE_EVALUATION 0 #define BIG_RAPID_MODE 1 #define PARALLEL_MODE 2 #define CALC_BIPARTITIONS 3 #define SPLIT_MULTI_GENE 4 #define CHECK_ALIGNMENT 5 #define OPTIMIZE_RATES 6 #define PARSIMONY_ADDITION 7 #define SEQUENCE_SIMILARITY_FILTER 8 #define MEHRING_ALGO 9 #define ARNDT_MODE 10 #define M_GTRCAT 1 #define M_GTRGAMMA 2 #define M_PROTCAT 5 #define M_PROTGAMMA 6 #define DAYHOFF 0 #define DCMUT 1 #define JTT 2 #define MTREV 3 #define WAG 4 #define RTREV 5 #define CPREV 6 #define VT 7 #define BLOSUM62 8 #define MTMAM 9 #define GTR 10 #define BITS_BYTE 8 #define GTRCAT 0 #define GTRCATMULT 1 #define PROTCAT 2 #define PROTCATMULT 3 #define GTRGAMMA 4 #define GTRGAMMAI 5 #define GTRGAMMAMULT 6 #define GTRGAMMAMULTI 7 #define PROTGAMMA 8 #define PROTGAMMAI 9 #define PROTGAMMAMULT 10 #define PROTGAMMAMULTI 11 #define PARSIMONY_PROT 12 #define PARSIMONY_DNA 13 /* bootstopping stuff */ #define BOOTSTOP_PERMUTATIONS 100 #define START_BSTOP_TEST 10 #define FC_THRESHOLD 99 #define FC_SPACING 50 #define FC_LOWER 0.99 #define FC_INIT 20 #define BC_THRESHOLD 0.05 #define BC_SPACING 100 #define BC_INIT 50 /* bootstopping stuff end */ #define AA_CAT 20 #define AA_GAMMA 80 #define DNA_CAT 4 #define DNA_GAMMA 16 #define TIP_TIP 0 #define TIP_INNER 1 #define INNER_INNER 2 #define SMALL_DATA 1 #define LARGE_DATA 2 #define BINARY_DATA 0 #define DNA_DATA 1 #define AA_DATA 2 #define DNA_RATES 5 #define AA_RATES 190 #define CAT 0 #define GAMMA 1 #define GAMMA_I 2 typedef int boolean; typedef struct { float val; int number; } qtData; typedef struct { int parsimonyScore; int parsimonyState; } parsimonyVector; typedef struct ratec { double accumulatedSiteLikelihood; double rate; } rateCategorize; typedef struct { int tipCase; int pNumber; int qNumber; int rNumber; double qz[NUM_BRANCHES]; double rz[NUM_BRANCHES]; } traversalInfo; typedef struct { traversalInfo *ti; int count; } traversalData; /********** BOOTSTOPPING */ typedef struct { int length; int freq1; int freq2; unsigned char *isSet; int *entries; } bipList; typedef struct { bipList *b; int n; int count; int treeVectorLength; } BL; /****************************/ typedef struct noderec { #ifdef _MULTI_GENE struct noderec *backs[NUM_BRANCHES]; char xs[NUM_BRANCHES]; #endif double z[NUM_BRANCHES]; struct noderec *next; struct noderec *back; int number; char x; } node, *nodeptr; typedef struct { double lh; int number; } info; typedef struct bInf { double likelihood; nodeptr node; } bestInfo; typedef struct iL { bestInfo *list; int n; int valid; } infoList; typedef struct { nodeptr p; /* not required for other lists*/ int pNum; int qNum; int support; int length;/*not required for other lists*/ int *entries; } bList; typedef struct { int numsp; int sites; char **y; char *y0; char *yBUF; int *wgt; int *wgt2; } rawdata; typedef struct { int *alias; /* site representing a pattern */ int *aliaswgt; /* weight by pattern */ int *rateCategory; int endsite; /* # of sequence patterns */ double *patrat; /* rates per pattern */ double *patratStored; double *wr; /* weighted rate per pattern */ double *wr2; /* weight*rate**2 per pattern */ } cruncheddata; typedef struct { int count; int *entries; } qtList; typedef struct { int lower; int upper; int dataType; int protModels; int protFreqs; int modelOffset; char *partitionName; } pInfo; typedef struct { nodeptr p; int freq; } insertionBranch; typedef struct { insertionBranch *ib; int max; int reference; } insertionPoints; typedef struct { pInfo *partitionData; double *likelihoodArray; int *expArray; parsimonyVector *parsimonyData; #ifdef _MULTI_GENE double perPartitionLH[NUM_BRANCHES]; int doMulti; traversalData td[NUM_BRANCHES]; #else traversalData td[NUM_BRANCHES]; #endif int *dataVector; insertionBranch *ib; insertionPoints *ip; int numberOfTipsForInsertion; /* model-dependent stuff */ double *sumBuffer; double *siteLL_Vector; double coreLZ; int modelNumber; int multiBranch; int numBranches; #ifdef _LOCAL_DATA pInfo *strided_partitionData; char **strided_yVector; char *strided_y0; int strideLength; int *strided_aliaswgt; int *strided_invariant; int *strided_model; int *strided_rateCategory; int *strided_dataVector; double *strided_wr; double *strided_wr2; double *strided_patrat; double *strided_patratStored; double *strided_lhs; double *strided_siteLL_Vector; #endif #ifdef _MULTI_GENE nodeptr *startVector; char **tipMissing; #endif #ifdef _USE_PTHREADS int currentModel; int mySpan; double lower_spacing; double upper_spacing; double *lhs; #endif double *tipVectorDNA; double *tipVectorAA; double *EV_DNA; double *EV_AA; double *EI_DNA; double *EI_AA; double *EIGN_DNA; double *EIGN_AA; double *frequencies_DNA; double *frequencies_AA; double *initialRates_DNA; double *initialRates_AA; /* the stuff below is shared among DNA and AA, span does not change depending on datatype */ double *gammaRates; double *alphas; double *invariants; double *fracchanges; /* model stuff end */ double **xVector; char **yVector; int numberOfProteinPositions; int numberOfNucleotidePositions; int originalCrunchedLength; int fullSites; int *originalModel; int *originalDataVector; int *originalWeights; double partitionContributions[NUM_BRANCHES]; double fracchange; double lhCutoff; double lhAVG; unsigned long lhDEC; unsigned long itCount; int numberOfInvariableColumns; int weightOfInvariableColumns; int likelihoodFunction; int rateHetModel; double startLH; double endLH; double likelihood; double *likelihoods; bList *ML_Tree; int *invariant; int countML_Tree; int numberOfTrees; node **nodep; node *start; int mxtips; int *model; int *constraintVector; int ntips; int nextnode; int NumberOfCategories; int NumberOfModels; int parsimonyLength; int checkPointCounter; int treeID; int numberOfOutgroups; int *outgroupNums; char **outgroups; boolean bigCutoff; boolean prelabeled; boolean smoothed; boolean rooted; boolean grouped; boolean constrained; boolean doCutoff; boolean mixedData; rawdata *rdta; cruncheddata *cdta; char **nameList; char *tree_string; int treeStringLength; int bestParsimony; double bestOfNode; nodeptr removeNode; nodeptr insertNode; double zqr[NUM_BRANCHES]; double currentZQR[NUM_BRANCHES]; double currentLZR[NUM_BRANCHES]; double currentLZQ[NUM_BRANCHES]; double currentLZS[NUM_BRANCHES]; double currentLZI[NUM_BRANCHES]; double lzs[NUM_BRANCHES]; double lzq[NUM_BRANCHES]; double lzr[NUM_BRANCHES]; double lzi[NUM_BRANCHES]; } tree; /***************************************************************/ typedef struct { double z[NUM_BRANCHES]; nodeptr p, q; } connectRELL, *connptrRELL; typedef struct { connectRELL *connect; int start; double likelihood; } topolRELL; typedef struct { int max; int members; topolRELL **t; } topolRELL_LIST; /**************************************************************/ typedef struct conntyp { double z[NUM_BRANCHES]; /* branch length */ node *p, *q; /* parent and child sectors */ void *valptr; /* pointer to value of subtree */ int descend; /* pointer to first connect of child */ int sibling; /* next connect from same parent */ } connect, *connptr; typedef struct { double likelihood; int initialTreeNumber; connect *links; /* pointer to first connect (start) */ node *start; int nextlink; /* index of next available connect */ /* tr->start = tpl->links->p */ int ntips; int nextnode; int scrNum; /* position in sorted list of scores */ int tplNum; /* position in sorted list of trees */ boolean prelabeled; /* the possible tip names are known */ boolean smoothed; /* branch optimization converged? */ } topol; typedef struct { double best; /* highest score saved */ double worst; /* lowest score saved */ topol *start; /* starting tree for optimization */ topol **byScore; topol **byTopol; int nkeep; /* maximum topologies to save */ int nvalid; /* number of topologies saved */ int ninit; /* number of topologies initialized */ int numtrees; /* number of alternatives tested */ boolean improved; } bestlist; typedef struct { int categories; int model; int bestTrav; int max_rearrange; int stepwidth; int initial; boolean initialSet; int mode; long boot; long rapidBoot; boolean bootstrapBranchLengths; boolean restart; boolean useWeightFile; boolean useMultipleModel; boolean constraint; boolean grouping; boolean randomStartingTree; boolean categorizeGamma; boolean useInvariant; #ifdef _VINCENT boolean optimizeBSmodel; #endif int protEmpiricalFreqs; int proteinMatrix; int checkpoints; int startingTreeOnly; int useMixedModel; int multipleRuns; long parsimonySeed; int multiBoot; boolean reallyThoroughBoot; boolean perGeneBranchLengths; boolean likelihoodTest; boolean outgroup; boolean permuteTreeoptimize; boolean allInOne; boolean treeLength; boolean computePerSiteLLs; boolean generateBS; boolean bootStopping; boolean useExcludeFile; boolean userProteinModel; boolean rapidML_Addition; boolean computeELW; int bootStopOnly; double likelihoodEpsilon; double sequenceSimilarity; double gapyness; int similarityFilterMode; double bootstopCutoff; double *externalAAMatrix; } analdef; /****************************** FUNCTIONS ****************************************************/ extern double gettime ( void ); extern int gettimeSrand ( void ); extern double randum ( long *seed ); extern void getxnode ( nodeptr p ); extern void hookup ( nodeptr p, nodeptr q, double *z, int numBranches); extern void hookupDefault ( nodeptr p, nodeptr q, int numBranches); extern boolean whitechar ( int ch ); extern void makeboot ( analdef *adef, tree *tr ); extern void allocNodex ( tree *tr, analdef *adef ); extern void freeNodex ( tree *tr ); extern void errorExit ( int e ); extern void printResult ( tree *tr, analdef *adef, boolean finalPrint ); extern void printBootstrapResult ( tree *tr, analdef *adef, boolean finalPrint ); extern void printBipartitionResult ( tree *tr, analdef *adef, boolean finalPrint ); extern void printLog ( tree *tr, analdef *adef, boolean finalPrint ); extern void printStartingTree ( tree *tr, analdef *adef, boolean finalPrint ); extern void writeInfoFile ( analdef *adef, tree *tr, double t ); extern int main ( int argc, char *argv[] ); extern int countTips( nodeptr p, int numsp); extern void calcBipartitions ( tree *tr, analdef *adef, char *bestTreeFileName, char *bootStrapFileName ); extern void makeVal ( char code, double *val ); extern void baseFrequenciesGTR ( rawdata *rdta, cruncheddata *cdta, tree *tr, analdef *adef ); extern void initReversibleGTR (tree *tr, analdef *adef, int model); extern double LnGamma ( double alpha ); extern double IncompleteGamma ( double x, double alpha, double ln_gamma_alpha ); extern double PointNormal ( double prob ); extern double PointChi2 ( double prob, double v ); extern void makeGammaCats (int model, double *alphas, double *gammaRates); extern void assignLikelihoodFunctions ( tree *tr, analdef *adef ); extern void initModel ( tree *tr, rawdata *rdta, cruncheddata *cdta, analdef *adef ); extern void doAllInOne ( tree *tr, analdef *adef ); #ifdef _VINCENT extern void doAllInOneVincent( tree *tr, analdef *adef ); #endif extern void doBootstrap ( tree *tr, analdef *adef, rawdata *rdta, cruncheddata *cdta ); extern void doInference ( tree *tr, analdef *adef, rawdata *rdta, cruncheddata *cdta ); extern void resetBranches ( tree *tr ); extern void modOpt ( tree *tr, analdef *adef ); extern void modOptModel ( tree *tr, analdef *adef, int model ); extern void optimizeRateCategories ( tree *tr, int _maxCategories ); extern void specialRateCategories ( tree *tr, int _maxCategories, double modelEpsilon ); extern void quickAndDirtyOptimization ( tree *tr, analdef *adef ); extern int optimizeModel ( tree *tr, analdef *adef); extern void optimizeAllRateCategories ( tree *tr ); extern void optimizeRatesOnly ( tree *tr, analdef *adef ); extern void parsePartitions ( analdef *adef, rawdata *rdta, tree *tr); extern void computeBOOTRAPID (tree *tr, analdef *adef, long *radiusSeed); extern void optimizeRAPID ( tree *tr, analdef *adef ); extern void thoroughOptimization ( tree *tr, analdef *adef, topolRELL_LIST *rl, int index ); extern int treeOptimizeThorough ( tree *tr, int mintrav, int maxtrav); extern int checker ( tree *tr, nodeptr p ); extern int randomInt ( int n ); extern void makePermutation ( int *perm, int n, analdef *adef ); extern boolean tipHomogeneityChecker ( tree *tr, nodeptr p, int grouping ); extern void makeRandomTree ( tree *tr, analdef *adef ); extern void nodeRectifier ( tree *tr ); extern void makeParsimonyTree ( tree *tr, analdef *adef ); extern void makeParsimonyTreeIncomplete ( tree *tr, analdef *adef ); extern void tred2 ( double *a, const int n, const int np, double *d, double *e ); extern double pythag ( double a, double b ); extern void tqli ( double *d, double *e, int n, int np, double *z ); extern boolean initrav ( tree *tr, nodeptr p ); extern boolean initravDIST ( tree *tr, nodeptr p, int distance ); extern void initravPartition ( tree *tr, nodeptr p, int model ); extern boolean update ( tree *tr, nodeptr p ); extern boolean smooth ( tree *tr, nodeptr p ); extern boolean smoothTree ( tree *tr, int maxtimes ); extern boolean localSmooth ( tree *tr, nodeptr p, int maxtimes ); extern void initInfoList ( int n ); extern void freeInfoList ( void ); extern void insertInfoList ( nodeptr node, double likelihood ); extern boolean smoothRegion ( tree *tr, nodeptr p, int region ); extern boolean regionalSmooth ( tree *tr, nodeptr p, int maxtimes, int region ); extern nodeptr removeNodeBIG ( tree *tr, nodeptr p, int numBranches); extern nodeptr removeNodeRestoreBIG ( tree *tr, nodeptr p ); extern boolean insertBIG ( tree *tr, nodeptr p, nodeptr q, int numBranches); extern boolean insertRestoreBIG ( tree *tr, nodeptr p, nodeptr q ); extern void restoreTopologyOnly ( tree *tr, bestlist *bt ); extern boolean testInsertBIG ( tree *tr, nodeptr p, nodeptr q ); extern void addTraverseBIG ( tree *tr, nodeptr p, nodeptr q, int mintrav, int maxtrav ); extern int rearrangeBIG ( tree *tr, nodeptr p, int mintrav, int maxtrav ); extern void traversalOrder ( nodeptr p, int *count, nodeptr *nodeArray ); extern double treeOptimizeRapid ( tree *tr, int mintrav, int maxtrav, analdef *adef, bestlist *bt ); extern boolean testInsertRestoreBIG ( tree *tr, nodeptr p, nodeptr q ); extern void restoreTreeFast ( tree *tr ); extern int determineRearrangementSetting ( tree *tr, analdef *adef, bestlist *bestT, bestlist *bt ); extern void computeBIGRAPID ( tree *tr, analdef *adef ); extern void computeBIGRAPIDMULTIBOOT ( tree *tr, analdef *adef ); extern boolean treeEvaluate ( tree *tr, double smoothFactor ); extern boolean treeEvaluatePartition ( tree *tr, double smoothFactor, int model ); extern topolRELL *initTopolRELL ( tree *tr ); extern void saveTopolRELL ( tree *tr, topolRELL *tpl ); extern void restoreTopolRELL ( tree *tr, topolRELL *tpl ); extern void initTL ( topolRELL_LIST *rl, tree *tr, int n ); extern void freeTL ( topolRELL_LIST *rl ); extern void restoreTL ( topolRELL_LIST *rl, tree *tr, int n ); extern void resetTL ( topolRELL_LIST *rl ); extern void saveTL ( topolRELL_LIST *rl, tree *tr, int index ); extern void *tipValPtr ( nodeptr p ); extern int cmpTipVal ( void *v1, void *v2 ); extern topol *setupTopol ( int maxtips ); extern void freeTopol ( topol *tpl ); extern void saveTree ( tree *tr, topol *tpl ); extern boolean restoreTreeRecursive ( topol *tpl, tree *tr ); extern boolean restoreTree ( topol *tpl, tree *tr ); extern boolean restoreTopology ( topol *tpl, tree *tr ); extern int initBestTree ( bestlist *bt, int newkeep, int numsp ); extern void resetBestTree ( bestlist *bt ); extern boolean freeBestTree ( bestlist *bt ); extern int cmpSubtopol ( connptr p10, connptr p1, connptr p20, connptr p2 ); extern int cmpTopol ( void *tpl1, void *tpl2 ); extern int cmpTplScore ( void *tpl1, void *tpl2 ); extern int findInList ( void *item, void *list[], int n, int (* cmpFunc)(void *, void *) ); extern int findTreeInList ( bestlist *bt, tree *tr ); extern int saveBestTree ( bestlist *bt, tree *tr ); extern int recallBestTreeRecursive ( bestlist *bt, int rank, tree *tr ); extern int recallBestTree ( bestlist *bt, int rank, tree *tr ); extern int recallBestTopology ( bestlist *bt, int rank, tree *tr ); extern boolean readKeyValue ( char *string, char *key, char *format, void *value ); extern int lookupBipartition ( tree *tr, nodeptr p ); extern char *Tree2String ( char *treestr, tree *tr, nodeptr p, boolean printBranchLengths, boolean printNames, boolean printLikelihood, boolean rellTree, boolean finalPrint, analdef *adef, int perGene ); extern void printTreePerGene(tree *tr, analdef *adef, char *fileName, char *permission); extern int treeFinishCom ( FILE *fp, char **strp ); extern int treeGetCh ( FILE *fp ); extern boolean treeLabelEnd ( int ch ); extern boolean treeGetLabel ( FILE *fp, char *lblPtr, int maxlen ); extern boolean treeFlushLabel ( FILE *fp ); extern int treeFindTipByLabel ( char *str, tree *tr ); extern int treeFindTipName ( FILE *fp, tree *tr ); extern void treeEchoContext ( FILE *fp1, FILE *fp2, int n ); extern boolean treeProcessLength ( FILE *fp, double *dptr ); extern int treeFlushLen ( FILE *fp ); extern boolean treeNeedCh ( FILE *fp, int c1, char *where ); extern boolean addElementLen ( FILE *fp, tree *tr, nodeptr p, boolean readBranchLengths ); extern int saveTreeCom ( char **comstrp ); extern boolean processTreeCom ( FILE *fp, tree *tr ); extern boolean treeReadLen ( FILE *fp, tree *tr, analdef *adef ); extern void treeReadTopologyOnly ( FILE *fp, tree *tr, analdef *adef, boolean readBranches ); extern boolean addElementLenMULT ( FILE *fp, tree *tr, nodeptr p, int partitionCounter ); extern boolean treeReadLenMULT ( FILE *fp, tree *tr, analdef *adef ); extern void getStartingTree ( tree *tr, analdef *adef ); extern double treeLength(tree *tr, int model); extern void restoreTL_Light(topolRELL_LIST *rl, tree *tr, int n); extern void computeBootStopOnly(tree *tr, analdef *adef, char *bootStrapFileName); extern boolean bootStop(tree *tr, BL *b, int numberOfTrees, double *pearsonAverage, double bootstopCutoff); extern double evaluatePartialGeneric (tree *, int i, double ki); extern double evaluateGeneric (tree *tr, nodeptr p); extern void newviewGeneric (tree *tr, nodeptr p); extern void makenewzGeneric(tree *tr, nodeptr p, nodeptr q, double *z0, int maxiter, double *result); extern double evaluatePartitionGeneric (tree *tr, nodeptr p, int model); extern void newviewPartitionGeneric (tree *tr, nodeptr p, int model); extern void evaluateGenericVector (tree *tr, nodeptr p, double *v); extern void categorizeGeneric (tree *tr, nodeptr p); extern double makenewzPartitionGeneric(tree *tr, nodeptr p, nodeptr q, double z0, int maxiter, int model); extern boolean isTip(int number, int maxTips); extern double *getLikelihoodArray(int number, int mxtips, double **xVector); extern int *getScalingArray(int number, int endsite, int mxtips, int *scalingArray); extern void computeTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int numBranches); extern void newviewIterative(tree *, int startIndex, int endIndex); extern double evaluateIterative(tree *, int startIndex, int endIndex); extern double evaluateIterativePartition(tree *, int lower, int upper, int model); extern void newviewIterativePartition(tree *, int lower, int upper, int model); extern void makenewzIterative(tree *, int startIndex, int endIndex); extern void execCore(tree *, double *dlnLdlz, double *d2lnLdlz2, int lower, int upper, int model); extern void makenewzIterativePartition(tree *, int startIndex, int endIndex, int model); extern void execCorePartition(tree *, double *dlnLdlz, double *d2lnLdlz2, int lower, int upper, int model); extern void determineFullTraversal(nodeptr p, tree *tr); extern void optRateCat(tree *, int i, double lower_spacing, double upper_spacing, double *lhs); extern int evaluateParsimonyIterative(tree *, int lower, int upper); extern void newviewParsimonyIterative(tree *, int startIndex, int endIndex); extern double evaluateGenericInitrav (tree *tr, nodeptr p); extern double evaluateGenericInitravPartition(tree *tr, nodeptr p, int model); extern void evaluateGenericVectorIterative(tree *, int startIndex, int endIndex); extern void categorizeIterative(tree *, int startIndex, int endIndex); extern void onlyInitrav(tree *tr, nodeptr p); extern void onlyInitravPartition(tree *tr, nodeptr p, int model); extern void fixModelIndices(tree *tr, analdef *adef, int endsite); extern void calculateModelOffsets(tree *tr); extern void gammaToCat(tree *tr, analdef *adef); extern void catToGamma(tree *tr, analdef *adef); extern void handleExcludeFile(tree *tr, analdef *adef, rawdata *rdta); extern nodeptr findAnyTip(nodeptr p, int numsp); extern void determineSequencePosition(tree *tr, analdef *adef); extern void parseProteinModel(analdef *adef); extern void computeFullTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int numBranches); extern void optimizeArndt(tree *tr, analdef *adef); extern void rapidML_Addition(tree *tr, analdef *adef); extern void quickOpt(tree *tr, analdef *adef); extern void computeNextReplicate(tree *tr, analdef *adef, int *originalRateCategories, int *originalInvariant); extern void reductionCleanup(tree *tr, analdef *adef, int *originalRateCategories, int *originalInvariant); #ifdef _MULTI_GENE extern boolean treeEvaluateMulti(tree *tr, double smoothFactor); extern void determineFullMultiTraversal(tree *tr); extern void computeMultiTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int model); extern void getxsnode (nodeptr p, int model); extern void computeFullMultiTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int model); #endif #ifdef _USE_PTHREADS #define THREAD_NEWVIEW 0 #define THREAD_EVALUATE 1 #define THREAD_MAKENEWZ 2 #define THREAD_SUM_MAKENEWZ 3 #define THREAD_NEWVIEW_PARTITION 4 #define THREAD_EVALUATE_PARTITION 5 #define THREAD_SUM_MAKENEWZ_PARTITION 6 #define THREAD_MAKENEWZ_PARTITION 7 #define THREAD_RATE_CATS 8 #define THREAD_NEWVIEW_PARSIMONY 9 #define THREAD_EVALUATE_PARSIMONY 10 #define THREAD_EVALUATE_VECTOR 11 #define THREAD_CATEGORIZE 12 #ifdef _LOCAL_DATA #define THREAD_PREPARE_PARSIMONY 13 #define THREAD_FINISH_PARSIMONY 14 #define THREAD_ALLOC_LIKELIHOOD 15 #define THREAD_FREE_LIKELIHOOD 16 #define THREAD_COPY_REVERSIBLE 17 #define THREAD_COPY_RATE_CATS 18 #define THREAD_COPY_GAMMA_RATES 19 #define THREAD_COPY_INVARIANTS 20 #define THREAD_COPY_INIT_MODEL 21 #define THREAD_NEXT_REPLICATE 22 extern void optRateCat_LOCAL(tree *localTree, int lower, int upper, double lower_spacing, double upper_spacing, double *lhs); #endif extern void masterBarrier(int jobType, tree *tr); #endif ./arbsrc_9167/GDE/RAxML/bipartitionList.c0000644012664100000130000007340011213220010017767 0ustar arb_buildcoders/* RAxML-HPC, a program for sequential and parallel estimation of phylogenetic trees * Copyright March 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * stamatak@ics.forth.gr * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis: "An Efficient Program for phylogenetic Inference Using Simulated Annealing". * Proceedings of IPDPS2005, Denver, Colorado, April 2005. * * AND * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include #include "axml.h" extern FILE *INFILE; extern char run_id[128]; extern char workdir[1024]; extern char bootStrapFile[1024]; extern char tree_file[1024]; extern char infoFileName[1024]; extern char resultFileName[1024]; int countTips(nodeptr p, int numsp) { if(isTip(p->number, numsp)) return 1; { nodeptr q; int tips = 0; q = p->next; while(q != p) { tips += countTips(q->back, numsp); q = q->next; } return tips; } } static void getTips(nodeptr p, int *c, int *entries, int numsp) { nodeptr q; if(isTip(p->number, numsp)) { entries[*c] = p->number; *c = *c + 1; return; } q = p->next; while(q != p) { getTips(q->back, c, entries, numsp); q = q->next; } return; } static int intCompare(const void *p1, const void *p2) { int *rc1 = (int *)p1; int *rc2 = (int *)p2; int i = *rc1; int j = *rc2; if (i > j) return (1); if (i < j) return (-1); return (0); } static void makeBipartitionsRec(nodeptr p, bList *blThis, int *bCountThis, int numsp) { if(/*p->tip*/ isTip(p->number, numsp)) return; { nodeptr q; int l, r; int c; if(/*!p->back->tip*/ ! isTip(p->back->number, numsp)) { l = countTips(p, numsp); r = countTips(p->back, numsp); c = 0; if(l < r) { blThis[*bCountThis].entries = (int *)malloc(l * sizeof(int)); getTips(p, &c, blThis[*bCountThis].entries, numsp); } else { blThis[*bCountThis].entries = (int *)malloc(r * sizeof(int)); getTips(p->back, &c, blThis[*bCountThis].entries, numsp); } blThis[*bCountThis].length = c; qsort((blThis[*bCountThis].entries), c, sizeof(int), intCompare); blThis[*bCountThis].p = p; blThis[*bCountThis].pNum = p->number; blThis[*bCountThis].qNum = p->back->number; *bCountThis = *bCountThis + 1; } q = p->next; while(q != p) { makeBipartitionsRec(q->back, blThis, bCountThis, numsp); q = q->next; } return; } } static int bListCompare(const void *p1, const void *p2) { bList *rc1 = (bList *)p1; bList *rc2 = (bList *)p2; int i = rc1->length; int j = rc2->length; if (i > j) return (1); if (i < j) return (-1); return (0); } static bList *bipartitionList(tree *tr, int *bCountThis) { int i, n = tr->mxtips - 3; bList *blThis; blThis = (bList *)malloc(sizeof(bList) * n); *bCountThis = 0; for(i = 0; i < n; i++) { blThis[i].p = (nodeptr) NULL; blThis[i].support = 0; blThis[i].length = 0; blThis[i].entries = (int *)NULL; blThis[i].pNum = 0; blThis[i].qNum = 0; } makeBipartitionsRec(tr->nodep[1]->back, blThis, bCountThis, tr->rdta->numsp); qsort(&(blThis[0]), *bCountThis, sizeof(bList), bListCompare); return blThis; } /*void printBlist(bList *blThis, int n) { int i, j; for(i = 0; i < n; i++) { printf("%d %d %d: (", i, blThis[i].length, blThis[i].support); for(j = 0; j < blThis[i].length; j++) { if(j == (blThis[i].length - 1)) printf("%d)\n", blThis[i].entries[j]); else printf("%d, ", blThis[i].entries[j]); } } }*/ static void freeBList(bList *blThis, int n) { int i; for(i = 0; i < n; i++) { free(blThis[i].entries); } } static void updateReferenceList(bList *referenceList, int referenceListLength, bList *currentList, int currentListLength) { int i, j, k, length; boolean found; int f = 0; /* printf("%d %d\n", currentListLength, referenceListLength);*/ for(i = 0; i < currentListLength; i++) { j = 0; length = currentList[i].length; while(length > referenceList[j].length) j++; /*printf("%d at %d\n", length, j);*/ while(j < referenceListLength && length == referenceList[j].length) { k = 0; found = TRUE; while(k < length && found) { if(currentList[i].entries[k] != referenceList[j].entries[k]) found = FALSE; k++; } if(found) { referenceList[j].support = referenceList[j].support + 1; f++; /*goto foundThisOne;*/ break; } j++; } /*foundThisOne: */ } /*printf("FOUND %d\n", f);*/ } void calcBipartitions(tree *tr, analdef *adef, char *bestTreeFileName, char *bootStrapFileName) { bList *ML_Tree = (bList *)NULL, *BOOT_Tree = (bList *)NULL; int countML_Tree = 0, countBOOT_Tree = 0, numberOfTrees = 0, i; char ch; FILE *infoFile; INFILE = fopen(bestTreeFileName, "r"); treeReadTopologyOnly(INFILE, tr, adef, FALSE); fclose(INFILE); ML_Tree = bipartitionList(tr, &countML_Tree); INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTrees++; } rewind(INFILE); if(!adef->allInOne) { infoFile = fopen(infoFileName, "a"); printf("\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); fprintf(infoFile, "\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); fclose(infoFile); } for(i = 0; i < numberOfTrees; i++) { /*printf("Tree %d\n", i);*/ treeReadTopologyOnly(INFILE, tr, adef, FALSE); BOOT_Tree = bipartitionList(tr, &countBOOT_Tree); updateReferenceList(ML_Tree, countML_Tree, BOOT_Tree, countBOOT_Tree); freeBList(BOOT_Tree, countBOOT_Tree); free(BOOT_Tree); } fclose(INFILE); /*printBlist(ML_Tree, countML_Tree);*/ INFILE = fopen(bestTreeFileName, "r"); treeReadTopologyOnly(INFILE, tr, adef, TRUE); fclose(INFILE); /*for(i = 0; i < countML_Tree; i++) { p = ML_Tree[i].p; p->z = p->back->z = ((double)ML_Tree[i].support) / ((double) numberOfTrees); } */ tr->ML_Tree = ML_Tree; tr->countML_Tree = countML_Tree; tr->numberOfTrees = numberOfTrees; printBipartitionResult(tr, adef, TRUE); freeBList(ML_Tree, countML_Tree); free(ML_Tree); } /* void drawBipartitionsOnTree(tree *tr, analdef *adef, topolRELL_LIST *rl, int numberOfTrees) { bList *ML_Tree = (bList *)NULL, *BOOT_Tree = (bList *)NULL; nodeptr p, q; int countML_Tree = 0, countBOOT_Tree = 0, i; char ch; FILE *infoFile; topolRELL_LIST *referenceTree; referenceTree = (topolRELL_LIST *)malloc(sizeof(topolRELL_LIST)); initTL(referenceTree, tr, 1); saveTL(referenceTree, tr, 0); restoreTL(referenceTree, tr, 0); ML_Tree = bipartitionList(tr, &countML_Tree); for(i = 0; i < numberOfTrees; i++) { restoreTL(rl, tr, i); BOOT_Tree = bipartitionList(tr, &countBOOT_Tree); updateReferenceList(ML_Tree, countML_Tree, BOOT_Tree, countBOOT_Tree); freeBList(BOOT_Tree, countBOOT_Tree); free(BOOT_Tree); } tr->ML_Tree = ML_Tree; tr->countML_Tree = countML_Tree; tr->numberOfTrees = numberOfTrees; restoreTL(referenceTree, tr, 0); for(i = tr->mxtips + 1; i <= tr->mxtips + tr->mxtips - 2; i++) { int res = -1, res2 = -1; int countTips = 0; nodeptr tips[2]; p = tr->nodep[i]; if(!isTip(p->back->number, numsp)) { res = lookupBipartition(tr, p); p->support = p->back->support = res; } else tips[countTips++] = p; q = p->next; while(q != p) { if(! isTip(q->back->number, numsp)) { res2 = lookupBipartition(tr, q); q->support = q->back->support = res2; } else tips[countTips++] = q; q = q->next; } assert(countTips <= 2); if(countTips == 1) tips[0]->support = (res + res2) / 2; else { if(res == -1) res = res2; assert(res != -1); tips[0] = res; tips[1] = res; } } freeTL(referenceTree); free(referenceTree); freeBList(ML_Tree, countML_Tree); free(ML_Tree); }*/ /*************************************************************************************************************/ static const unsigned char bitmask[8] = {1, 2, 4, 8, 16, 32, 64, 128}; #ifdef WIN32 static void set_bit(unsigned char *vector, int pos) #else static inline void set_bit(unsigned char *vector, int pos) #endif { vector[pos / BITS_BYTE] |= bitmask[pos % BITS_BYTE]; } #ifdef WIN32 static int get_bit(unsigned char *vector, int pos) #else static inline int get_bit(unsigned char *vector, int pos) #endif { if(vector[pos / BITS_BYTE] == 0) return 0; return ((vector[pos / BITS_BYTE] & bitmask[pos % BITS_BYTE]) == bitmask[pos % BITS_BYTE]); } static void permute(int *perm, int n, long *seed) { int i, j, k; for (i = 0; i < n; i++) { k = (int)((double)(n - i) * randum(seed)); j = perm[i]; perm[i] = perm[i + k]; perm[i + k] = j; /*assert(i + k < n);*/ } } static double testFreq(double *vect1, double *vect2, int n) { int i; double avg1 = 0.0, avg2 = 0.0, sum_xy = 0.0, sum_x = 0.0, sum_y = 0.0, corr = 0.0; for(i = 0; i < n; i++) { avg1 += vect1[i]; avg2 += vect2[i]; } avg1 /= ((double)n); avg2 /= ((double)n); printf("Average %f %f\n", avg1, avg2); for(i = 0; i < n; i++) { sum_xy += ((vect1[i] - avg1) * (vect2[i] - avg2)); sum_x += ((vect1[i] - avg1) * (vect1[i] - avg1)); sum_y += ((vect2[i] - avg2) * (vect2[i] - avg2)); } corr = sum_xy / (sqrt(sum_x) * sqrt(sum_y)); #ifndef WIN32 if(isnan(corr)) { printf("Numerical Error pearson correlation is not a number\n"); assert(0); } #endif return corr; } static double testFreq2(double *vect1, double *vect2, int n, int reps, double bootstopCutoff) { int i; double sum_xy = 0.0, sum_x = 0.0, sum_y = 0.0, corr = 0.0; double av1 = 0.0, av2 = 0.0; if(bootstopCutoff > 0.0) { const double scale = 1.0 / ((double)reps * 0.5); const double upper_bound = 0.5 + bootstopCutoff; const double lower_bound = 0.5 - bootstopCutoff; int count = 0, verify = 0; char *isSet = (char *)calloc(n, sizeof(char)); assert(bootstopCutoff > 0.0 && bootstopCutoff <= 0.5); assert(lower_bound < upper_bound); assert(lower_bound >= 0.0 && upper_bound <= 1.0); for(i = 0; i < n; i++) { vect1[i] *= scale; vect2[i] *= scale; } for(i = 0; i < n; i++) { if((vect1[i] >= lower_bound && vect1[i] <= upper_bound) || (vect2[i] >= lower_bound && vect2[i] <= upper_bound)) { av1 += vect1[i]; av2 += vect2[i]; isSet[i] = 1; count++; } } if(count == 0) { return 0.0; } av1 /= ((double)count); av2 /= ((double)count); for(i = 0; i < n; i++) { if(isSet[i]) { sum_xy += ((vect1[i] - av1) * (vect2[i] - av2)); sum_x += ((vect1[i] - av1) * (vect1[i] - av1)); sum_y += ((vect2[i] - av2) * (vect2[i] - av2)); /*printf("%f %f ", vect1[i], vect2[i]);*/ verify++; } } /*printf("\n");*/ free(isSet); assert(verify == count); corr = sum_xy / (sqrt(sum_x) * sqrt(sum_y)); #ifndef WIN32 if(isnan(corr)) { printf("Numerical Error pearson correlation is not a number\n"); assert(0); } #endif return corr; } else { for(i = 0; i < n; i++) { av1 += vect1[i]; av2 += vect2[i]; } av1 /= ((double)n); av2 /= ((double)n); for(i = 0; i < n; i++) { sum_xy += ((vect1[i] - av1) * (vect2[i] - av2)); sum_x += ((vect1[i] - av1) * (vect1[i] - av1)); sum_y += ((vect2[i] - av2) * (vect2[i] - av2)); } corr = sum_xy / (sqrt(sum_x) * sqrt(sum_y)); #ifndef WIN32 if(isnan(corr)) { printf("Numerical Error pearson correlation is not a number\n"); assert(0); } #endif return corr; } } /*static double testFreq3(double *vect1, double *vect2, double avg1, double avg2, int n) { int i; double sum_xy = 0.0, sum_x = 0.0, sum_y = 0.0, corr = 0.0; printf("Average %f %f\n", avg1, avg2); for(i = 0; i < n; i++) { sum_xy += ((vect1[i] - avg1) * (vect2[i] - avg2)); sum_x += ((vect1[i] - avg1) * (vect1[i] - avg1)); sum_y += ((vect2[i] - avg2) * (vect2[i] - avg2)); } corr = sum_xy / (sqrt(sum_x) * sqrt(sum_y)); return corr; } */ static double probks(double alam) { int i; double EPS1=0.001, EPS2=1.E-8, FAC = 2.0, A2 = -2.0 * (alam * alam), PROBKS=0.0, TERMBF=0.0, TERM = 0.0; for(i = 1; i <= 100; i++) { TERM = FAC * exp(A2 * i * i); PROBKS = PROBKS + TERM; if((fabs(TERM) < EPS1 * TERMBF) || (fabs(TERM) < EPS2 * PROBKS)) return PROBKS; FAC =-FAC; TERMBF= fabs(TERM); } PROBKS = 1.0; return PROBKS; } static double ksTwo(int *vect1, int *vect2, int n) { int j1 = 1, j2 = 1; double en1 = (double)n, en2 = (double)n, f01 = 0.0, f02 = 0.0, fn1 = 0.0, fn2 = 0.0, d1 = 0.0, d2 = 0.0, d = 0.0, dt = 0.0, result; qsort(vect1, n, sizeof(int), intCompare); qsort(vect2, n, sizeof(int), intCompare); while(j1 <= n && j2 <= n) { if(vect1[j1 - 1] < vect2[j2 - 1]) { fn1 = j1 / en1; d1 = fabs(fn1 - f02); d2 = fabs(f01 - f02); if(d1 > d2) dt = d1; else dt = d2; if(dt > d) d = dt; f01 = fn1; j1++; } else { fn2 = j2/en2; d1 = fabs(fn2 - f01); d2 = fabs(f02 - f01); if(d1 > d2) dt = d1; else dt = d2; if(dt > d) d = dt; f02 = fn2; j2++; } } result = probks(sqrt(en1 * en2 / (en1 + en2)) * d); return result; } static void computeAllLHs(tree *tr, analdef *adef, char *bootStrapFileName) { int numberOfTrees = 0, i; char ch; double bestLH = unlikely; bestlist *bestT; FILE *infoFile, *result; infoFile = fopen(infoFileName, "a"); result = fopen(resultFileName, "w"); bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); allocNodex(tr, adef); INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTrees++; } rewind(INFILE); printf("\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); fprintf(infoFile, "\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); for(i = 0; i < numberOfTrees; i++) { treeReadLen(INFILE, tr, adef); if(i == 0) { modOpt(tr, adef); printf("Model optimization, first Tree: %f\n", tr->likelihood); fprintf(infoFile, "Model optimization, first Tree: %f\n", tr->likelihood); bestLH = tr->likelihood; resetBranches(tr); } treeEvaluate(tr, 2); Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, TRUE, adef, SUMMARIZE_LH); fprintf(result, "%s", tr->tree_string); saveBestTree(bestT, tr); if(tr->likelihood > bestLH) bestLH = tr->likelihood; printf("Tree %d Likelihood %f\n", i, tr->likelihood); fprintf(infoFile, "Tree %d Likelihood %f\n", i, tr->likelihood); } recallBestTree(bestT, 1, tr); evaluateGeneric(tr, tr->start); printf("Model optimization, %f <-> %f\n", bestLH, tr->likelihood); fprintf(infoFile, "Model optimization, %f <-> %f\n", bestLH, tr->likelihood); modOpt(tr, adef); treeEvaluate(tr, 2); printf("Model optimization, %f <-> %f\n", bestLH, tr->likelihood); fprintf(infoFile, "Model optimization, %f <-> %f\n", bestLH, tr->likelihood); printf("\nAll evaluated trees with branch lengths written to File: %s\n", resultFileName); fprintf(infoFile, "\nAll evaluated trees with branch lengths written to File: %s\n", resultFileName); fclose(INFILE); fclose(infoFile); fclose(result); exit(0); } static void addBipartitionsFaster(BL *b, int number, int *candidate, int candidateLength, int modulo) { int i, *entries, k; const int bCount = b->count; bipList *bibPtr = b->b; for(i = 0; i < bCount; i++) { if(candidateLength == bibPtr[i].length) { entries = bibPtr[i].entries; for(k = 0; k < candidateLength; k++) if(candidate[k] != entries[k]) break; if(k == candidateLength) { if(modulo == 0) set_bit(bibPtr[i].isSet, number); else { if(modulo == 1) bibPtr[i].freq1 = bibPtr[i].freq1 + 1; else bibPtr[i].freq2 = bibPtr[i].freq2 + 1; } return; } } } if(b->count == b->n) { bipList *bip = (bipList *)malloc(sizeof(bipList) * b->n * 2); memcpy(bip, b->b, b->n * sizeof(bipList)); for(k = b->n; k < (b->n * 2); k++) { bip[k].length = 0; bip[k].entries = (int *)NULL; if(modulo == 0) bip[k].isSet = (unsigned char*)calloc(b->treeVectorLength, sizeof(unsigned char)); else { bip[k].freq1 = 0; bip[k].freq2 = 0; } } free(b->b); b->b = bip; b->n *= 2; } b->b[b->count].entries = (int *)malloc(sizeof(int) * candidateLength); b->b[b->count].length = candidateLength; if(modulo == 0) set_bit(b->b[b->count].isSet, number); else { if(modulo == 1) b->b[b->count].freq1 = b->b[b->count].freq1 + 1; else b->b[b->count].freq2 = b->b[b->count].freq2 + 1; } memcpy(b->b[b->count].entries, candidate, candidateLength * sizeof(int)); b->count = b->count + 1; } double addTime = 0.0; static void addRecBL(nodeptr p, BL *b, int number, int modulo, int numberOfTips, int numsp) { if(/*p->tip*/ isTip(p->number, numsp)) return; { nodeptr q; if(/*!p->back->tip*/ ! isTip(p->back->number, numsp)) { int *entries; int length = 0; int l, r; l = countTips(p, numsp); if(l < ((numberOfTips/2) + 1)) { entries = (int *)malloc(l * sizeof(int)); getTips(p, &length, entries, numsp); } else { r = numberOfTips - l; entries = (int *)malloc(r * sizeof(int)); getTips(p->back, &length, entries, numsp); } qsort(entries, length, sizeof(int), intCompare); { double t = gettime(); addBipartitionsFaster(b, number, entries, length, modulo); addTime += (gettime() - t); } free(entries); } q = p->next; while(q != p) { addRecBL(q->back, b, number, modulo, numberOfTips, numsp); q = q->next; } return; } } static void compareBips(tree *tr, analdef *adef, char *bootStrapFileName) { int numberOfTreesAll = 0, numberOfTreesStop = 0, i; char ch; double *vect1, *vect2, p; int bipAll = 0, bipStop = 0; char bipFileName[1024]; FILE *outf; BL *b = (BL *)malloc(sizeof(BL)); b->n = 100 * tr->mxtips; b->count = 0; b->treeVectorLength = 0; b->b = (bipList *)malloc(sizeof(bipList) * b->n); for(i = 0; i < b->n; i++) { b->b[i].length = 0; b->b[i].freq1 = 0; b->b[i].freq2 = 0; b->b[i].entries = (int *)NULL; } INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTreesAll++; } rewind(INFILE); printf("\n\nFound %d trees in File %s\n\n", numberOfTreesAll, bootStrapFileName); for(i = 0; i < numberOfTreesAll; i++) { treeReadTopologyOnly(INFILE, tr, adef, FALSE); addRecBL(tr->nodep[1]->back, b, i, 1, tr->mxtips, tr->rdta->numsp); } fclose(INFILE); /* do BOOTSTOP ********************************************************************************************************/ INFILE = fopen(tree_file, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTreesStop++; } rewind(INFILE); printf("\n\nFound %d trees in File %s\n\n", numberOfTreesStop, tree_file); for(i = 0; i < numberOfTreesStop; i++) { treeReadTopologyOnly(INFILE, tr, adef, FALSE); addRecBL(tr->nodep[1]->back, b, i, 2, tr->mxtips, tr->rdta->numsp); } fclose(INFILE); /***************************************************************************************************/ vect1 = (double *)malloc(sizeof(double) * b->count); vect2 = (double *)malloc(sizeof(double) * b->count); strcpy(bipFileName, workdir); strcat(bipFileName, "RAxML_bipartitionFrequencies."); strcat(bipFileName, run_id); outf = fopen(bipFileName, "w"); for(i = 0; i < b->count; i++) { vect1[i] = ((double)b->b[i].freq1) / ((double)numberOfTreesAll); if(b->b[i].freq1 > 0) bipAll++; vect2[i] = ((double)b->b[i].freq2)/ ((double)numberOfTreesStop); if(b->b[i].freq2 > 0) bipStop++; fprintf(outf, "%f %f\n", vect1[i], vect2[i]); } fclose(outf); p = testFreq(vect1, vect2, b->count); printf("Pearson: %f Bipartitions-All: %d Bipartitions-Stop: %d\n", p, bipAll, bipStop); /*p = pairedT(vect1, vect2, b->count); printf("pairedT: %f Bipartitions-All: %d Bipartitions-Stop: %d\n", p, bipAll, bipStop);*/ exit(0); } void computeBootStopOnly(tree *tr, analdef *adef, char *bootStrapFileName) { if(adef->bootStopOnly >= 3) { if(adef->bootStopOnly == 3) compareBips(tr, adef, bootStrapFileName); if(adef->bootStopOnly == 4) computeAllLHs(tr, adef, bootStrapFileName); } else { int numberOfTrees = 0, i; boolean stop = FALSE; char ch; BL *b = (BL *)malloc(sizeof(BL)); double t, addT = 0.0, calcT = 0.0, readT = 0.0; int checkEvery; int treesAdded = 0; INFILE = fopen(bootStrapFileName, "r"); while((ch = getc(INFILE)) != EOF) { if(ch == ';') numberOfTrees++; } rewind(INFILE); printf("\n\nFound %d trees in File %s\n\n", numberOfTrees, bootStrapFileName); assert(sizeof(unsigned char) == 1); switch(adef->bootStopOnly) { case 1: checkEvery = FC_SPACING; b->n = FC_INIT * tr->mxtips; break; case 2: checkEvery = BC_SPACING; b->n = BC_INIT * tr->mxtips; break; default: assert(0); } b->count = 0; b->treeVectorLength = (numberOfTrees / BITS_BYTE) + 1; b->b = (bipList *)malloc(sizeof(bipList) * b->n); for(i = 0; i < b->n; i++) { b->b[i].length = 0; b->b[i].isSet = (unsigned char*)calloc(b->treeVectorLength, sizeof(unsigned char)); b->b[i].entries = (int *)NULL; } printf("# Trees \t Average Pearson Coefficient \t # Permutations: pearson >= %f\n", FC_LOWER); for(i = 1; i <= numberOfTrees && !stop; i++) { t = gettime(); treeReadTopologyOnly(INFILE, tr, adef, FALSE); readT += (gettime() - t); t = gettime(); addRecBL(tr->nodep[1]->back, b, (i - 1), 0, tr->mxtips, tr->rdta->numsp); addT += (gettime() - t); treesAdded++; if(i > START_BSTOP_TEST && i % checkEvery == 0) { t = gettime(); if(adef->bootStopOnly == 1) { int k, j, l; int *perm = (int *)malloc(sizeof(int) * i); long seed = 12345; double result; double avg = 0; double *vect1, *vect2; int countBetter = 0; for(j = 0; j < i; j++) perm[j] = j; for(k = 0; k < BOOTSTOP_PERMUTATIONS; k++) { unsigned char *set; permute(perm, i, &seed); vect1 = (double *)calloc(b->count, sizeof(double)); vect2 = (double *)calloc(b->count, sizeof(double)); for(j = 0; j < b->count; j++) { set = b->b[j].isSet; for(l = 0; l < i; l++) { if(get_bit(set,l)) { if(perm[l] % 2 == 0) vect1[j] = vect1[j] + 1.0; else vect2[j] = vect2[j] + 1.0; } } } result = testFreq2(vect1, vect2, b->count, i, adef->bootstopCutoff); if(result >= FC_LOWER) countBetter++; avg += result; free(vect1); free(vect2); } avg /= BOOTSTOP_PERMUTATIONS; printf("%d \t\t\t %f \t\t\t\t %d\n", i, avg, countBetter); free(perm); stop = (countBetter >= FC_THRESHOLD && avg >= FC_LOWER); } if(adef->bootStopOnly == 2) { int k, j, l; int *perm = (int *)malloc(sizeof(int) * i); long seed = 12345; double result; double avg = 0; int *vect1, *vect2; for(j = 0; j < i; j++) perm[j] = j; for(k = 0; k < BOOTSTOP_PERMUTATIONS; k++) { unsigned char *set; vect1 = (int *)calloc(i/2, sizeof(int)); vect2 = (int *)calloc(i/2, sizeof(int)); permute(perm, i, &seed); for(l = 0; l < b->count; l++) { boolean v1 = TRUE, v2 = TRUE; set = b->b[l].isSet; for(j = 0; (j < i) && (v1 || v2); j++) { if(get_bit(set, j)) { if(perm[j] % 2 == 0) { if(v1) { vect1[perm[j]/2] += 1; v1 = FALSE; } } else { if(v2) { vect2[perm[j]/2] += 1; v2 = FALSE; } } } } } result = ksTwo(vect1, vect2, i/2); avg += result; free(vect1); free(vect2); } free(perm); avg /= BOOTSTOP_PERMUTATIONS; printf("%d %f\n", i, avg); stop = (avg <= BC_THRESHOLD); } calcT += (gettime() - t); } } printf("\n\nExecution time Analysis for development purposes:\n"); printf("Tree-Reading: %f secs \nIdentify Bipartitions: %f secs \nAdd Bipartitions: %f secs \nCompute Statistics: %f secs\n\n", readT, addT - addTime, addTime, calcT); if(stop) { char bootstopFileName[1028]; FILE *outf; int bootStopNumber = 0; printf("Stopping after %d trees\n", treesAdded); strcpy(bootstopFileName, workdir); strcat(bootstopFileName, "RAxML_bootStop."); strcat(bootstopFileName, run_id); outf = fopen(bootstopFileName, "w"); rewind(INFILE); while(((ch = getc(INFILE)) != EOF) && (bootStopNumber < treesAdded)) { fprintf(outf, "%c", ch); if(ch == ';') bootStopNumber++; } fprintf(outf, "\n"); fclose(outf); fclose(INFILE); exit(0); } else { printf("Bootstopping test did not converge after %d trees\n", treesAdded); fclose(INFILE); exit(0); } } } boolean bootStop(tree *tr, BL *b, int numberOfTrees, double *pearsonAverage, double bootstopCutoff) { int n = numberOfTrees + 1; addRecBL(tr->nodep[1]->back, b, numberOfTrees, 0, tr->mxtips, tr->rdta->numsp); if((n > START_BSTOP_TEST) && (n % FC_SPACING == 0)) { int k, j, l; int *perm = (int *)malloc(sizeof(int) * n); long seed = 12345; double result; double avg = 0; double *vect1, *vect2; int countBetter = 0; for(j = 0; j < n; j++) perm[j] = j; for(k = 0; k < BOOTSTOP_PERMUTATIONS; k++) { unsigned char *set; permute(perm, n, &seed); vect1 = (double *)calloc(b->count, sizeof(double)); vect2 = (double *)calloc(b->count, sizeof(double)); for(j = 0; j < b->count; j++) { set = b->b[j].isSet; for(l = 0; l < n; l++) { if(get_bit(set,l)) { if(perm[l] % 2 == 0) vect1[j] = vect1[j] + 1; else vect2[j] = vect2[j] + 1; } } } result = testFreq2(vect1, vect2, b->count, n, bootstopCutoff); if(result >= FC_LOWER) countBetter++; avg += result; free(vect1); free(vect2); } avg /= BOOTSTOP_PERMUTATIONS; free(perm); *pearsonAverage = avg; if(countBetter >= FC_THRESHOLD) return TRUE; else return FALSE; } else return FALSE; } ./arbsrc_9167/GDE/RAxML/categorizeGeneric.c0000644012664100000130000011005111213220010020232 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" extern int NumberOfThreads; static void categorizeGTRGAMMA(char *tipX1, double *x2_start, int *ex2, double *EIGN, double *pz, double *gammaRates, double *tipVector, int *rateCategory, int lower, int upper) { double z, lz, ki, term[4]; int i, index = 0; double *diagptable, *diagptable_start, allSum, min; double *x1, *x2; z = pz[0]; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 3); for(i = 0; i < 4; i++) { ki = gammaRates[i]; *diagptable++ = exp (EIGN[0] * ki * lz); *diagptable++ = exp (EIGN[1] * ki * lz); *diagptable++ = exp (EIGN[2] * ki * lz); } for (i = lower; i < upper; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = diagptable_start; /* cat 0 */ term[0] = x1[0] * x2[0]; term[0] += x1[1] * x2[1] * *diagptable++; term[0] += x1[2] * x2[2] * *diagptable++; term[0] += x1[3] * x2[3] * *diagptable++; term[0] = log(term[0]) + (ex2[i])*log(minlikelihood); /* cat 1 */ term[1] = x1[0] * x2[4]; term[1] += x1[1] * x2[5] * *diagptable++; term[1] += x1[2] * x2[6] * *diagptable++; term[1] += x1[3] * x2[7] * *diagptable++; term[1] = log(term[1]) + (ex2[i])*log(minlikelihood); /* cat 2 */ term[2] = x1[0] * x2[8]; term[2] += x1[1] * x2[9] * *diagptable++; term[2] += x1[2] * x2[10] * *diagptable++; term[2] += x1[3] * x2[11] * *diagptable++; term[2] = log(term[2]) + (ex2[i])*log(minlikelihood); /* cat 3 */ term[3] = x1[0] * x2[12]; term[3] += x1[1] * x2[13] * *diagptable++; term[3] += x1[2] * x2[14] * *diagptable++; term[3] += x1[3] * x2[15] * *diagptable++; term[3] = log(term[3]) + (ex2[i])*log(minlikelihood); allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = index; } free(diagptable_start); return; } static void categorizeGTRGAMMAINVAR(char *tipX1, double *x2_start, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper, int *iptr, double *invariants, double *frequencies) { double z, lz, ki, term[4]; int i, index = 0; double *diagptable, *diagptable_start, allSum, min; double *x1, *x2; double freqs[4]; double scaler = (1.0 - invariants[0]); freqs[0] = frequencies[0] * invariants[0]; freqs[1] = frequencies[1] * invariants[0]; freqs[2] = frequencies[2] * invariants[0]; freqs[3] = frequencies[3] * invariants[0]; z = pz[0]; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 3); for(i = 0; i < 4; i++) { ki = gammaRates[i]; *diagptable++ = exp (EIGN[0] * ki * lz); *diagptable++ = exp (EIGN[1] * ki * lz); *diagptable++ = exp (EIGN[2] * ki * lz); } for (i = lower; i < upper; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = diagptable_start; /* cat 0 */ term[0] = x1[0] * x2[0]; term[0] += x1[1] * x2[1] * *diagptable++; term[0] += x1[2] * x2[2] * *diagptable++; term[0] += x1[3] * x2[3] * *diagptable++; if(iptr[i] < 4) term[0] = log((scaler * term[0] + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term[0] = log(scaler * term[0]) + (ex2[i]) * log(minlikelihood); /* cat 1 */ term[1] = x1[0] * x2[4]; term[1] += x1[1] * x2[5] * *diagptable++; term[1] += x1[2] * x2[6] * *diagptable++; term[1] += x1[3] * x2[7] * *diagptable++; if(iptr[i] < 4) term[1] = log((scaler * term[1] + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term[1] = log(scaler * term[1]) + (ex2[i]) * log(minlikelihood); /* cat 2 */ term[2] = x1[0] * x2[8]; term[2] += x1[1] * x2[9] * *diagptable++; term[2] += x1[2] * x2[10] * *diagptable++; term[2] += x1[3] * x2[11] * *diagptable++; if(iptr[i] < 4) term[2] = log((scaler * term[2] + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term[2] = log(scaler * term[2]) + (ex2[i]) * log(minlikelihood); /* cat 3 */ term[3] = x1[0] * x2[12]; term[3] += x1[1] * x2[13] * *diagptable++; term[3] += x1[2] * x2[14] * *diagptable++; term[3] += x1[3] * x2[15] * *diagptable++; if(iptr[i] < 4) term[3] = log((scaler * term[3] + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term[3] = log(scaler * term[3]) + (ex2[i]) * log(minlikelihood); allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = index; } free(diagptable_start); return; } static void categorizeGTRGAMMAMULT (char *tipX1, double *x2_start, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper, int *modelptr, int NumberOfModels, int multiBranch) { double z, lz = 0.0, term[4], ki; int i, index = 0; double *diagptable, *diagptable_start, allSum, min; double *x1, *x2; int model; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 12 * NumberOfModels); for(model = 0; model < NumberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[12 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); } } for (i = lower; i < upper; i++) { model = modelptr[i]; x1 = &(tipVector[64 * model + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = &diagptable_start[12 * model]; /* cat 0 */ term[0] = x1[0] * x2[0]; term[0] += x1[1] * x2[1] * *diagptable++; term[0] += x1[2] * x2[2] * *diagptable++; term[0] += x1[3] * x2[3] * *diagptable++; term[0] = log(term[0]) + ex2[i] *log(minlikelihood); /* cat 1 */ term[1] = x1[0] * x2[4]; term[1] += x1[1] * x2[5] * *diagptable++; term[1] += x1[2] * x2[6] * *diagptable++; term[1] += x1[3] * x2[7] * *diagptable++; term[1] = log(term[1]) + ex2[i] * log(minlikelihood); /* cat 2 */ term[2] = x1[0] * x2[8]; term[2] += x1[1] * x2[9] * *diagptable++; term[2] += x1[2] * x2[10] * *diagptable++; term[2] += x1[3] * x2[11] * *diagptable++; term[2] = log(term[2]) + ex2[i] *log(minlikelihood); /* cat 3 */ term[3] = x1[0] * x2[12]; term[3] += x1[1] * x2[13] * *diagptable++; term[3] += x1[2] * x2[14] * *diagptable++; term[3] += x1[3] * x2[15] * *diagptable++; term[3] = log(term[3]) + (ex2[i])*log(minlikelihood); allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = model * 4 + index; } free(diagptable_start); return; } static void categorizeGTRGAMMAMULTINVAR (char *tipX1, double *x2_start, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper, int *modelptr, int NumberOfModels, int *iptr, double *invariants, double *frequencies, int multiBranch) { double z, lz = 0.0, term[4], ki; int i, index = 0; double *diagptable, *diagptable_start, allSum, min; double *x1, *x2; int model; double *scalers; double *freqs; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 12 * NumberOfModels); freqs = (double *)malloc(4 * NumberOfModels * sizeof(double)); scalers = (double *)malloc(NumberOfModels * sizeof(double)); for(model = 0; model < NumberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } scalers[model] = (1.0 - invariants[model]); freqs[4 * model] = frequencies[4 * model] * invariants[model]; freqs[4 * model + 1] = frequencies[4 * model + 1] * invariants[model]; freqs[4 * model + 2] = frequencies[4 * model + 2] * invariants[model]; freqs[4 * model + 3] = frequencies[4 * model + 3] * invariants[model]; diagptable = &diagptable_start[12 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); } } for (i = lower; i < upper; i++) { model = modelptr[i]; x1 = &(tipVector[64 * model + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = &diagptable_start[12 * model]; /* cat 0 */ term[0] = x1[0] * x2[0]; term[0] += x1[1] * x2[1] * *diagptable++; term[0] += x1[2] * x2[2] * *diagptable++; term[0] += x1[3] * x2[3] * *diagptable++; if(iptr[i] < 4) term[0] = log((scalers[model] * term[0] + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term[0] = log(scalers[model] * term[0]) + ex2[i] * log(minlikelihood); /* cat 1 */ term[1] = x1[0] * x2[4]; term[1] += x1[1] * x2[5] * *diagptable++; term[1] += x1[2] * x2[6] * *diagptable++; term[1] += x1[3] * x2[7] * *diagptable++; if(iptr[i] < 4) term[1] = log((scalers[model] * term[1] + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term[1] = log(scalers[model] * term[1]) + ex2[i] * log(minlikelihood); /* cat 2 */ term[2] = x1[0] * x2[8]; term[2] += x1[1] * x2[9] * *diagptable++; term[2] += x1[2] * x2[10] * *diagptable++; term[2] += x1[3] * x2[11] * *diagptable++; if(iptr[i] < 4) term[2] = log((scalers[model] * term[2] + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term[2] = log(scalers[model] * term[2]) + ex2[i] * log(minlikelihood); /* cat 3 */ term[3] = x1[0] * x2[12]; term[3] += x1[1] * x2[13] * *diagptable++; term[3] += x1[2] * x2[14] * *diagptable++; term[3] += x1[3] * x2[15] * *diagptable++; if(iptr[i] < 4) term[3] = log((scalers[model] * term[3] + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term[3] = log(scalers[model] * term[3]) + ex2[i] * log(minlikelihood); allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = model * 4 + index; } free(diagptable_start); free(scalers); free(freqs); return; } static void categorizeGTRGAMMAPROT (char *tipX1, double *x2, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper) { double z, lz, term[4], ki, min, allSum; int i, j, index = 0; double *diagptable, *diagptable_start; double *left, *right; z = pz[0]; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19); for(i = 0; i < 4; i++) { ki = gammaRates[i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[j] * ki * lz); } for (i = lower; i < upper; i++) { left = &(tipVector[20 * tipX1[i]]); diagptable = diagptable_start; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term[j] = 0.0; term[j] += left[0] * right[0]; term[j] += left[1] * right[1] * *diagptable++; term[j] += left[2] * right[2] * *diagptable++; term[j] += left[3] * right[3] * *diagptable++; term[j] += left[4] * right[4] * *diagptable++; term[j] += left[5] * right[5] * *diagptable++; term[j] += left[6] * right[6] * *diagptable++; term[j] += left[7] * right[7] * *diagptable++; term[j] += left[8] * right[8] * *diagptable++; term[j] += left[9] * right[9] * *diagptable++; term[j] += left[10] * right[10] * *diagptable++; term[j] += left[11] * right[11] * *diagptable++; term[j] += left[12] * right[12] * *diagptable++; term[j] += left[13] * right[13] * *diagptable++; term[j] += left[14] * right[14] * *diagptable++; term[j] += left[15] * right[15] * *diagptable++; term[j] += left[16] * right[16] * *diagptable++; term[j] += left[17] * right[17] * *diagptable++; term[j] += left[18] * right[18] * *diagptable++; term[j] += left[19] * right[19] * *diagptable++; term[j] = log(term[j]) + ex2[i] * log(minlikelihood); } allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = index; } free(diagptable_start); return; } static void categorizeGTRGAMMAPROTINVAR (char *tipX1, double *x2, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper, int *iptr, double *invariants, double *frequencies) { double z, lz, term[4], ki, min, allSum; int i, j, index = 0; double *diagptable, *diagptable_start; double *left, *right; double scaler = (1.0 - invariants[0]); double freqs[20]; for(i = 0; i < 20; i++) freqs[i] = frequencies[i] * invariants[0]; z = pz[0]; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19); for(i = 0; i < 4; i++) { ki = gammaRates[i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[j] * ki * lz); } for (i = lower; i < upper; i++) { left = &(tipVector[20 * tipX1[i]]); diagptable = diagptable_start; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term[j] = 0; term[j] += left[0] * right[0]; term[j] += left[1] * right[1] * *diagptable++; term[j] += left[2] * right[2] * *diagptable++; term[j] += left[3] * right[3] * *diagptable++; term[j] += left[4] * right[4] * *diagptable++; term[j] += left[5] * right[5] * *diagptable++; term[j] += left[6] * right[6] * *diagptable++; term[j] += left[7] * right[7] * *diagptable++; term[j] += left[8] * right[8] * *diagptable++; term[j] += left[9] * right[9] * *diagptable++; term[j] += left[10] * right[10] * *diagptable++; term[j] += left[11] * right[11] * *diagptable++; term[j] += left[12] * right[12] * *diagptable++; term[j] += left[13] * right[13] * *diagptable++; term[j] += left[14] * right[14] * *diagptable++; term[j] += left[15] * right[15] * *diagptable++; term[j] += left[16] * right[16] * *diagptable++; term[j] += left[17] * right[17] * *diagptable++; term[j] += left[18] * right[18] * *diagptable++; term[j] += left[19] * right[19] * *diagptable++; if(iptr[i] < 20) term[j] = log((scaler * term[j] + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term[j] = log(scaler * term[j]) + ex2[i] * log(minlikelihood); } allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = index; } free(diagptable_start); return; } static void categorizeGTRGAMMAPROTMULT (char *tipX1, double *x2, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper, int *modelptr, int NumberOfModels, int multiBranch) { double z, lz = 0.0, term[4], ki, min, allSum; int i, j, index = 0; double *diagptable, *diagptable_start; double *left, *right; int model; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19 * NumberOfModels); for(model = 0; model < NumberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[4 * 19 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[model * 19 + j] * ki * lz); } } for (i = lower; i < upper; i++) { model = modelptr[i]; left = &(tipVector[460 * model + 20 * tipX1[i]]); diagptable = &diagptable_start[76 * model]; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term[j] = 0; term[j] += left[0] * right[0]; term[j] += left[1] * right[1] * *diagptable++; term[j] += left[2] * right[2] * *diagptable++; term[j] += left[3] * right[3] * *diagptable++; term[j] += left[4] * right[4] * *diagptable++; term[j] += left[5] * right[5] * *diagptable++; term[j] += left[6] * right[6] * *diagptable++; term[j] += left[7] * right[7] * *diagptable++; term[j] += left[8] * right[8] * *diagptable++; term[j] += left[9] * right[9] * *diagptable++; term[j] += left[10] * right[10] * *diagptable++; term[j] += left[11] * right[11] * *diagptable++; term[j] += left[12] * right[12] * *diagptable++; term[j] += left[13] * right[13] * *diagptable++; term[j] += left[14] * right[14] * *diagptable++; term[j] += left[15] * right[15] * *diagptable++; term[j] += left[16] * right[16] * *diagptable++; term[j] += left[17] * right[17] * *diagptable++; term[j] += left[18] * right[18] * *diagptable++; term[j] += left[19] * right[19] * *diagptable++; term[j] = log(term[j]) + ex2[i] * log(minlikelihood); } allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = index; } free(diagptable_start); return; } static void categorizeGTRGAMMAPROTMULTINVAR (char *tipX1, double *x2, int *ex2, double *pz, double *gammaRates, double *EIGN, double *tipVector, int *rateCategory, int lower, int upper, int *modelptr, int NumberOfModels, int *iptr, double *invariants, double *frequencies, int multiBranch) { double z, lz = 0.0, term[4], ki, min, allSum; int i, j, index = 0; double *diagptable, *diagptable_start; double *left, *right; int model; double *scalers; double *freqs; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19 * NumberOfModels); freqs = (double *)malloc(20 * NumberOfModels * sizeof(double)); scalers = (double *)malloc(NumberOfModels * sizeof(double)); for(model = 0; model < NumberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[4 * 19 * model]; scalers[model] = (1.0 - invariants[model]); for(i = 0; i < 20; i++) freqs[20 * model + i] = frequencies[20 * model + i] * invariants[model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[model * 19 + j] * ki * lz); } } for (i = lower; i < upper; i++) { model = modelptr[i]; left = &(tipVector[460 * model + 20 * tipX1[i]]); diagptable = &diagptable_start[76 * model]; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term[j] = 0; term[j] += left[0] * right[0]; term[j] += left[1] * right[1] * *diagptable++; term[j] += left[2] * right[2] * *diagptable++; term[j] += left[3] * right[3] * *diagptable++; term[j] += left[4] * right[4] * *diagptable++; term[j] += left[5] * right[5] * *diagptable++; term[j] += left[6] * right[6] * *diagptable++; term[j] += left[7] * right[7] * *diagptable++; term[j] += left[8] * right[8] * *diagptable++; term[j] += left[9] * right[9] * *diagptable++; term[j] += left[10] * right[10] * *diagptable++; term[j] += left[11] * right[11] * *diagptable++; term[j] += left[12] * right[12] * *diagptable++; term[j] += left[13] * right[13] * *diagptable++; term[j] += left[14] * right[14] * *diagptable++; term[j] += left[15] * right[15] * *diagptable++; term[j] += left[16] * right[16] * *diagptable++; term[j] += left[17] * right[17] * *diagptable++; term[j] += left[18] * right[18] * *diagptable++; term[j] += left[19] * right[19] * *diagptable++; if(iptr[i] < 20) term[j] = log((scalers[model] * term[j] + freqs[model * 20 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term[j] = log(scalers[model] * term[j]) + ex2[i] * log(minlikelihood); } allSum = 0.25 * (term[0] + term[1] + term[2] + term[3]); allSum = 1.0 / allSum; term[0] = 0.25 * term[0] * allSum; term[1] = 0.25 * term[1] * allSum; term[2] = 0.25 * term[2] * allSum; term[3] = 0.25 * term[3] * allSum; min = largeDouble; if(term[0] < min) { min = term[0]; index = 0; } if(term[1] < min) { min = term[1]; index = 1; } if(term[2] < min) { min = term[2]; index = 2; } if(term[3] < min) { min = term[3]; index = 3; } rateCategory[i] = index; } free(diagptable_start); free(freqs); free(scalers); return; } #ifdef _LOCAL_DATA void categorizeIterative(tree *localTree, int startIndex, int endIndex) { double *x2_start, *pz; char *tipX1; int *ex2; int pNumber, qNumber; pNumber = localTree->td[0].ti[0].pNumber; qNumber = localTree->td[0].ti[0].qNumber; pz = localTree->td[0].ti[0].qz; if(localTree->td[0].count > 1) newviewIterative(localTree, 0, (endIndex - startIndex)); x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); tipX1 = &localTree->strided_yVector[pNumber][startIndex]; if(localTree->mixedData) { assert(0); } else { switch(localTree->likelihoodFunction) { case GTRGAMMA: categorizeGTRGAMMA(tipX1, x2_start, ex2, localTree->EIGN_DNA, pz, localTree->gammaRates, localTree->tipVectorDNA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex)); break; case GTRGAMMAI: categorizeGTRGAMMAINVAR(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_DNA, localTree->tipVectorDNA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex), &(localTree->invariant[startIndex]), localTree->invariants, localTree->frequencies_DNA); break; case GTRGAMMAMULT: categorizeGTRGAMMAMULT(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_DNA, localTree->tipVectorDNA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex), &(localTree->strided_model[startIndex]), localTree->NumberOfModels, localTree->multiBranch); break; case GTRGAMMAMULTI: categorizeGTRGAMMAMULTINVAR(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_DNA, localTree->tipVectorDNA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex), &(localTree->strided_model[startIndex]), localTree->NumberOfModels, &(localTree->strided_invariant[startIndex]), localTree->invariants, localTree->frequencies_DNA, localTree->multiBranch); break; case PROTGAMMA: categorizeGTRGAMMAPROT(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_AA, localTree->tipVectorAA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex)); break; case PROTGAMMAI: categorizeGTRGAMMAPROTINVAR(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_AA, localTree->tipVectorAA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex), &(localTree->strided_invariant[startIndex]), localTree->invariants, localTree->frequencies_AA); break; case PROTGAMMAMULT: categorizeGTRGAMMAPROTMULT(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_AA, localTree->tipVectorAA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex), &(localTree->strided_model[startIndex]), localTree->NumberOfModels, localTree->multiBranch); break; case PROTGAMMAMULTI: categorizeGTRGAMMAPROTMULTINVAR(tipX1, x2_start, ex2, pz, localTree->gammaRates, localTree->EIGN_AA, localTree->tipVectorAA, &(localTree->strided_rateCategory[startIndex]), 0, (endIndex - startIndex), &(localTree->strided_model[startIndex]), localTree->NumberOfModels, &(localTree->strided_invariant[startIndex]), localTree->invariants, localTree->frequencies_AA, localTree->multiBranch); break; default: assert(0); } } } #else void categorizeIterative(tree *tr, int startIndex, int endIndex) { double *x2_start, *pz; char *tipX1; int *ex2; int pNumber, qNumber; pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; pz = tr->td[0].ti[0].qz; x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tipX1 = tr->yVector[pNumber]; if(tr->mixedData) { int model, branchIndex, width, l, u, offset; for(model = 0; model < tr->NumberOfModels; model++) { if(tr->multiBranch) branchIndex = model; else branchIndex = 0; l = tr->partitionData[model].lower; u = tr->partitionData[model].upper; offset = tr->partitionData[model].modelOffset; width = u - l; switch(tr->partitionData[model].dataType) { case DNA_DATA: switch(tr->rateHetModel) { case GAMMA: categorizeGTRGAMMA(&(tipX1[l]), &(x2_start[offset]), &(ex2[l]), &(tr->EIGN_DNA[model * 3]), &(pz[branchIndex]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), &(tr->cdta->rateCategory[l]), 0, width); break; case GAMMA_I: categorizeGTRGAMMAINVAR(&(tipX1[l]), &(x2_start[offset]), &(ex2[l]), &(pz[branchIndex]), &(tr->gammaRates[model * 4]), &(tr->EIGN_DNA[model * 3]), &(tr->tipVectorDNA[model * 64]), &(tr->cdta->rateCategory[l]), 0, width, &(tr->invariant[l]), &(tr->invariants[model]), &(tr->frequencies_DNA[model * 4])); break; default: assert(0); } break; case AA_DATA: switch(tr->rateHetModel) { case GAMMA: categorizeGTRGAMMAPROT(&(tipX1[l]), &(x2_start[offset]), &(ex2[l]), &(pz[branchIndex]), &(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), &(tr->tipVectorAA[model * 460]), &(tr->cdta->rateCategory[l]), 0, width); break; case GAMMA_I: categorizeGTRGAMMAPROTINVAR(&(tipX1[l]), &(x2_start[offset]), &(ex2[l]), &(pz[branchIndex]), &(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), &(tr->tipVectorAA[model * 460]), &(tr->cdta->rateCategory[l]), 0, width, &(tr->invariant[l]), &(tr->invariants[model]), &(tr->frequencies_AA[model * 20])); break; default: assert(0); } break; default: assert(0); } } } else { switch(tr->likelihoodFunction) { case GTRGAMMA: categorizeGTRGAMMA(tipX1, x2_start, ex2, tr->EIGN_DNA, pz, tr->gammaRates, tr->tipVectorDNA, tr->cdta->rateCategory, startIndex, endIndex); break; case GTRGAMMAI: categorizeGTRGAMMAINVAR(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_DNA, tr->tipVectorDNA, tr->cdta->rateCategory, startIndex, endIndex, tr->invariant, tr->invariants, tr->frequencies_DNA); break; case GTRGAMMAMULT: categorizeGTRGAMMAMULT(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_DNA, tr->tipVectorDNA, tr->cdta->rateCategory, startIndex, endIndex, tr->model, tr->NumberOfModels, tr->multiBranch); break; case GTRGAMMAMULTI: categorizeGTRGAMMAMULTINVAR(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_DNA, tr->tipVectorDNA, tr->cdta->rateCategory, startIndex, endIndex, tr->model, tr->NumberOfModels, tr->invariant, tr->invariants, tr->frequencies_DNA, tr->multiBranch); break; case PROTGAMMA: categorizeGTRGAMMAPROT(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_AA, tr->tipVectorAA, tr->cdta->rateCategory, startIndex, endIndex); break; case PROTGAMMAI: categorizeGTRGAMMAPROTINVAR(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_AA, tr->tipVectorAA, tr->cdta->rateCategory, startIndex, endIndex, tr->invariant, tr->invariants, tr->frequencies_AA); break; case PROTGAMMAMULT: categorizeGTRGAMMAPROTMULT(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_AA, tr->tipVectorAA, tr->cdta->rateCategory, startIndex, endIndex, tr->model, tr->NumberOfModels, tr->multiBranch); break; case PROTGAMMAMULTI: categorizeGTRGAMMAPROTMULTINVAR(tipX1, x2_start, ex2, pz, tr->gammaRates, tr->EIGN_AA, tr->tipVectorAA, tr->cdta->rateCategory, startIndex, endIndex, tr->model, tr->NumberOfModels, tr->invariant, tr->invariants, tr->frequencies_AA, tr->multiBranch); break; default: assert(0); } } } #endif void categorizeGeneric (tree *tr, nodeptr p) { nodeptr q = p->back; int i; assert(isTip(p->number, tr->rdta->numsp) || isTip(q->number, tr->rdta->numsp)); if(isTip(q->number, tr->rdta->numsp)) { nodeptr tmp = q; q = p; p = tmp; } tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(i = 0; i < tr->numBranches; i++) tr->td[0].ti[0].qz[i] = q->z[i]; tr->td[0].count = 1; if(!q->x) computeTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); #ifdef _LOCAL_DATA masterBarrier(THREAD_CATEGORIZE, tr); #else if(tr->td[0].count > 1) { #ifdef _USE_PTHREADS masterBarrier(THREAD_NEWVIEW, tr); #else newviewIterative(tr, 0, tr->cdta->endsite); #endif } for(i = 0; i < tr->NumberOfModels; i++) { tr->cdta->patrat[i * 4] = tr->gammaRates[i * 4]; tr->cdta->patrat[i * 4 + 1] = tr->gammaRates[i * 4 + 1]; tr->cdta->patrat[i * 4 + 2] = tr->gammaRates[i * 4 + 2]; tr->cdta->patrat[i * 4 + 3] = tr->gammaRates[i * 4 + 3]; } tr->NumberOfCategories = 4 * tr->NumberOfModels; #ifdef _USE_PTHREADS masterBarrier(THREAD_CATEGORIZE, tr); #else categorizeIterative(tr, 0, tr->cdta->endsite); #endif for(i = 0; i < tr->cdta->endsite; i++) { double temp, wtemp; temp = tr->gammaRates[tr->cdta->rateCategory[i]]; tr->cdta->wr[i] = wtemp = temp * tr->cdta->aliaswgt[i]; tr->cdta->wr2[i] = temp * wtemp; } #endif } ./arbsrc_9167/GDE/RAxML/evaluateGeneric.c0000644012664100000130000022301011213220010017704 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" #ifdef _USE_PTHREADS extern double *reductionBuffer; extern int NumberOfThreads; #endif static double evaluateGTRCATPROTMULT (int *ex1, int *ex2, int *cptr, int *modelptr, int *wptr, double *x1, double *x2, double *EIGN, double *rptr, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfCategories, int numberOfModels, int multiBranch) { double sum, z, lz = 0.0, ki, lza[19], term; double *diagptable, *diagptable_start, *left, *right; int model, modelCounter, i, l; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 19 * numberOfModels); for(modelCounter = 0; modelCounter < numberOfModels; modelCounter++) { if(multiBranch) { z = pz[modelCounter]; if (z < zmin) z = zmin; lz = log(z); } for(l = 0; l < 19; l++) lza[l] = EIGN[modelCounter * 19 + l] * lz; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp (ki * lza[0]); *diagptable++ = exp (ki * lza[1]); *diagptable++ = exp (ki * lza[2]); *diagptable++ = exp (ki * lza[3]); *diagptable++ = exp (ki * lza[4]); *diagptable++ = exp (ki * lza[5]); *diagptable++ = exp (ki * lza[6]); *diagptable++ = exp (ki * lza[7]); *diagptable++ = exp (ki * lza[8]); *diagptable++ = exp (ki * lza[9]); *diagptable++ = exp (ki * lza[10]); *diagptable++ = exp (ki * lza[11]); *diagptable++ = exp (ki * lza[12]); *diagptable++ = exp (ki * lza[13]); *diagptable++ = exp (ki * lza[14]); *diagptable++ = exp (ki * lza[15]); *diagptable++ = exp (ki * lza[16]); *diagptable++ = exp (ki * lza[17]); *diagptable++ = exp (ki * lza[18]); } } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[model * 460 + 20 * tipX1[i]]); right = &(x2[20 * i]); diagptable = &diagptable_start[model * 19 * numberOfCategories + 19 * cptr[i]]; term = left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; term = (log(term)) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { model = modelptr[i]; diagptable = &diagptable_start[model * 19 * numberOfCategories + 19 * cptr[i]]; left = &x1[20 * i]; right = &x2[20 * i]; term = left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; term = log(term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRCATPROT (int *ex1, int *ex2, int *cptr, int *wptr, double *x1, double *x2, double *EIGN, double *rptr, double *tipVector, double pz, char *tipX1, int lower, int n, int numberOfCategories) { double sum, z, lz, ki, term, lza[19]; double *diagptable, *diagptable_start, *left, *right; int i, l; z = pz; if (z < zmin) z = zmin; lz = log(z); for(l = 0; l < 19; l++) lza[l] = EIGN[l] * lz; diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 19); for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp (ki * lza[0]); *diagptable++ = exp (ki * lza[1]); *diagptable++ = exp (ki * lza[2]); *diagptable++ = exp (ki * lza[3]); *diagptable++ = exp (ki * lza[4]); *diagptable++ = exp (ki * lza[5]); *diagptable++ = exp (ki * lza[6]); *diagptable++ = exp (ki * lza[7]); *diagptable++ = exp (ki * lza[8]); *diagptable++ = exp (ki * lza[9]); *diagptable++ = exp (ki * lza[10]); *diagptable++ = exp (ki * lza[11]); *diagptable++ = exp (ki * lza[12]); *diagptable++ = exp (ki * lza[13]); *diagptable++ = exp (ki * lza[14]); *diagptable++ = exp (ki * lza[15]); *diagptable++ = exp (ki * lza[16]); *diagptable++ = exp (ki * lza[17]); *diagptable++ = exp (ki * lza[18]); } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); right = &(x2[20 * i]); diagptable = &diagptable_start[19 * cptr[i]]; term = left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; term = log(term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { diagptable = &diagptable_start[19 * cptr[i]]; left = &x1[20 * i]; right = &x2[20 * i]; term = left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; term = log(term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRCATMULT (int *ex1, int *ex2, int *cptr, int *modelptr, int *wptr, double *x1_start, double *x2_start, double *EIGN, double *rptr, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfCategories, int numberOfModels, int multiBranch) { double sum, z, lz = 0.0, ki, lz1, lz2, lz3, term; double *diagptable, *diagptable_start, *x1, *x2; int model, modelCounter, i; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 3 * numberOfModels); for(modelCounter = 0; modelCounter < numberOfModels; modelCounter++) { if(multiBranch) { z = pz[modelCounter]; if (z < zmin) z = zmin; lz = log(z); } lz1 = EIGN[modelCounter * 3] * lz; lz2 = EIGN[modelCounter * 3 + 1] * lz; lz3 = EIGN[modelCounter * 3 + 2] * lz; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp (ki * lz1); *diagptable++ = exp (ki * lz2); *diagptable++ = exp (ki * lz3); } } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[model * 64 + 4 * tipX1[i]]); x2 = &x2_start[4 * i]; diagptable = &diagptable_start[model * 3 * numberOfCategories + 3 * cptr[i]]; term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; term = log(term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &x1_start[4 * i]; x2 = &x2_start[4 * i]; diagptable = &diagptable_start[model * 3 * numberOfCategories + 3 * cptr[i]]; term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; term = log(term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRCAT (int *ex1, int *ex2, int *cptr, int *wptr, double *x1_start, double *x2_start, double *EIGN, double *rptr, double *tipVector, double pz, char *tipX1, int lower, int n, int numberOfCategories) { double sum, z, lz, ki, lz1, lz2, lz3, term; int i; double *diagptable, *diagptable_start, *x1, *x2; z = pz; if (z < zmin) z = zmin; lz = log(z); lz1 = EIGN[0] * lz; lz2 = EIGN[1] * lz; lz3 = EIGN[2] * lz; diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 3); for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp(ki * lz1); *diagptable++ = exp(ki * lz2); *diagptable++ = exp(ki * lz3); } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[4 * i]; diagptable = &diagptable_start[3 * cptr[i]]; term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; term = log(term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { x1 = &x1_start[4 * i]; x2 = &x2_start[4 * i]; diagptable = &diagptable_start[3 * cptr[i]]; term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; term = log(term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRGAMMA(int *ex1, int *ex2, int *wptr, double *x1_start, double *x2_start, double *EIGN, double *gammaRates, double *tipVector, double pz, char *tipX1, int lower, int n) { double sum = 0.0, z, lz, term, ki; int i; double *diagptable, *x1, *x2; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = (double *)malloc(sizeof(double) * 16); for(i = 0; i < 4; i++) { ki = gammaRates[i]; diagptable[i * 4] = 1.0; diagptable[i * 4 + 1] = exp (EIGN[0] * ki * lz); diagptable[i * 4 + 2] = exp (EIGN[1] * ki * lz); diagptable[i * 4 + 3] = exp (EIGN[2] * ki * lz); } if(tipX1) { #pragma omp parallel for private(x1, x2, term) reduction(+ : sum) for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[0] * x2[4] * diagptable[4]; term += x1[1] * x2[5] * diagptable[5]; term += x1[2] * x2[6] * diagptable[6]; term += x1[3] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[0] * x2[8] * diagptable[8]; term += x1[1] * x2[9] * diagptable[9]; term += x1[2] * x2[10] * diagptable[10]; term += x1[3] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[0] * x2[12] * diagptable[12]; term += x1[1] * x2[13] * diagptable[13]; term += x1[2] * x2[14] * diagptable[14]; term += x1[3] * x2[15] * diagptable[15]; term = log(0.25 * term) + ex2[i] * log(minlikelihood); sum += wptr[i] * term; } free(diagptable); return sum; } else { #pragma omp parallel for private(x1, x2, term) reduction(+ : sum) for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[4] * x2[4] * diagptable[4]; term += x1[5] * x2[5] * diagptable[5]; term += x1[6] * x2[6] * diagptable[6]; term += x1[7] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[8] * x2[8] * diagptable[8]; term += x1[9] * x2[9] * diagptable[9]; term += x1[10] * x2[10] * diagptable[10]; term += x1[11] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[12] * x2[12] * diagptable[12]; term += x1[13] * x2[13] * diagptable[13]; term += x1[14] * x2[14] * diagptable[14]; term += x1[15] * x2[15] * diagptable[15]; term = log(0.25 * term) + (ex1[i] + ex2[i]) * log(minlikelihood); sum += wptr[i] * term; } free(diagptable); return sum; } } static double evaluateGTRGAMMAINVAR (int *ex1, int *ex2, int *wptr, int *iptr, double *x1_start, double *x2_start, double *EIGN, double *gammaRates, double *tipVector, double *tFreqs, double invariants, double pz, char *tipX1, int lower, int n) { int i; double *diagptable, *x1, *x2; double freqs[4], scaler = 0.25 * (1.0 - invariants), sum = 0.0, z, lz, term, ki; freqs[0] = tFreqs[0] * invariants; freqs[1] = tFreqs[1] * invariants; freqs[2] = tFreqs[2] * invariants; freqs[3] = tFreqs[3] * invariants; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = (double *)malloc(sizeof(double) * 16); for(i = 0; i < 4; i++) { ki = gammaRates[i]; diagptable[i * 4] = 1.0; diagptable[i * 4 + 1] = exp (EIGN[0] * ki * lz); diagptable[i * 4 + 2] = exp (EIGN[1] * ki * lz); diagptable[i * 4 + 3] = exp (EIGN[2] * ki * lz); } if(tipX1) { for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[0] * x2[4] * diagptable[4]; term += x1[1] * x2[5] * diagptable[5]; term += x1[2] * x2[6] * diagptable[6]; term += x1[3] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[0] * x2[8] * diagptable[8]; term += x1[1] * x2[9] * diagptable[9]; term += x1[2] * x2[10] * diagptable[10]; term += x1[3] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[0] * x2[12] * diagptable[12]; term += x1[1] * x2[13] * diagptable[13]; term += x1[2] * x2[14] * diagptable[14]; term += x1[3] * x2[15] * diagptable[15]; if(iptr[i] < 4) term = log(((scaler * term) + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scaler * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable); return sum; } else { for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[4] * x2[4] * diagptable[4]; term += x1[5] * x2[5] * diagptable[5]; term += x1[6] * x2[6] * diagptable[6]; term += x1[7] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[8] * x2[8] * diagptable[8]; term += x1[9] * x2[9] * diagptable[9]; term += x1[10] * x2[10] * diagptable[10]; term += x1[11] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[12] * x2[12] * diagptable[12]; term += x1[13] * x2[13] * diagptable[13]; term += x1[14] * x2[14] * diagptable[14]; term += x1[15] * x2[15] * diagptable[15]; if(iptr[i] < 4) term = log(((scaler * term) + freqs[iptr[i]]) * pow(minlikelihood, ex2[i] + ex1[i])); else term = log(scaler * term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable); return sum; } } static double evaluateGTRGAMMAMULT (int *ex1, int *ex2, int *modelptr, int *wptr, double *x1_start, double *x2_start, double *EIGN, double *gammaRates, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double sum = 0.0, z, lz = 0.0, term, ki; int i, model; double *diagptable, *diagptable_start, *x1, *x2; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 12 * numberOfModels); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[12 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); } } if(tipX1) { for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[64 * model + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = &diagptable_start[12 * model]; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[0] * x2[4]; term += x1[1] * x2[5] * *diagptable++; term += x1[2] * x2[6] * *diagptable++; term += x1[3] * x2[7] * *diagptable++; /* cat 2 */ term += x1[0] * x2[8]; term += x1[1] * x2[9] * *diagptable++; term += x1[2] * x2[10] * *diagptable++; term += x1[3] * x2[11] * *diagptable++; /* cat 3 */ term += x1[0] * x2[12]; term += x1[1] * x2[13] * *diagptable++; term += x1[2] * x2[14] * *diagptable++; term += x1[3] * x2[15] * *diagptable++; term = log(0.25 * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } else { for (i = lower; i < n; i++) { model = modelptr[i]; diagptable = &diagptable_start[model * 12]; x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[4] * x2[4]; term += x1[5] * x2[5] * *diagptable++; term += x1[6] * x2[6] * *diagptable++; term += x1[7] * x2[7] * *diagptable++; /* cat 2 */ term += x1[8] * x2[8]; term += x1[9] * x2[9] * *diagptable++; term += x1[10] * x2[10] * *diagptable++; term += x1[11] * x2[11] * *diagptable++; /* cat 3 */ term += x1[12] * x2[12]; term += x1[13] * x2[13] * *diagptable++; term += x1[14] * x2[14] * *diagptable++; term += x1[15] * x2[15] * *diagptable++; term = log(0.25 * term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } } static double evaluateGTRGAMMAMULTINVAR(int *ex1, int *ex2, int *modelptr, int *wptr, int *iptr, double *x1_start, double *x2_start, double *EIGN, double *gammaRates, double *tipVector, double *tFreqs, double *invariants, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double sum = 0.0, z, lz = 0.0, term, ki; int i, model; double *diagptable, *diagptable_start, *x1, *x2, *scalers, *freqs; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 12 * numberOfModels); freqs = (double *)malloc(4 * numberOfModels * sizeof(double)); scalers = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } scalers[model] = 0.25 * (1.0 - invariants[model]); freqs[4 * model] = tFreqs[4 * model] * invariants[model]; freqs[4 * model + 1] = tFreqs[4 * model + 1] * invariants[model]; freqs[4 * model + 2] = tFreqs[4 * model + 2] * invariants[model]; freqs[4 * model + 3] = tFreqs[4 * model + 3] * invariants[model]; diagptable = &diagptable_start[12 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); } } if(tipX1) { for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[64 * model + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = &diagptable_start[12 * model]; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[0] * x2[4]; term += x1[1] * x2[5] * *diagptable++; term += x1[2] * x2[6] * *diagptable++; term += x1[3] * x2[7] * *diagptable++; /* cat 2 */ term += x1[0] * x2[8]; term += x1[1] * x2[9] * *diagptable++; term += x1[2] * x2[10] * *diagptable++; term += x1[3] * x2[11] * *diagptable++; /* cat 3 */ term += x1[0] * x2[12]; term += x1[1] * x2[13] * *diagptable++; term += x1[2] * x2[14] * *diagptable++; term += x1[3] * x2[15] * *diagptable++; if(iptr[i] < 4) term = log(((scalers[model] * term) + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scalers[model] * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); free(scalers); free(freqs); return sum; } else { for (i = lower; i < n; i++) { model = modelptr[i]; diagptable = &diagptable_start[model * 12]; x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[4] * x2[4]; term += x1[5] * x2[5] * *diagptable++; term += x1[6] * x2[6] * *diagptable++; term += x1[7] * x2[7] * *diagptable++; /* cat 2 */ term += x1[8] * x2[8]; term += x1[9] * x2[9] * *diagptable++; term += x1[10] * x2[10] * *diagptable++; term += x1[11] * x2[11] * *diagptable++; /* cat 3 */ term += x1[12] * x2[12]; term += x1[13] * x2[13] * *diagptable++; term += x1[14] * x2[14] * *diagptable++; term += x1[15] * x2[15] * *diagptable++; if(iptr[i] < 4) term = log(((scalers[model] * term) + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i] + ex1[i])); else term = log(scalers[model] * term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); free(scalers); free(freqs); return sum; } } static double evaluateGTRGAMMAPROT (int *ex1, int *ex2, int *wptr, double *x1, double *x2, double *EIGN, double *gammaRates, double *tipVector, double pz, char *tipX1, int lower, int n) { double sum, z, lz, term, ki; int i, j; double *diagptable, *diagptable_start, *left, *right; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19); for(i = 0; i < 4; i++) { ki = gammaRates[i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[j] * ki * lz); } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); diagptable = diagptable_start; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } term = log(0.25 * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { diagptable = diagptable_start; term = 0; for(j = 0; j < 4; j++) { left = &(x1[80 * i + 20 * j]); right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } term = log(0.25 * term) + ((ex1[i] + ex2[i])*log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRGAMMAPROTINVAR (int *ex1, int *ex2, int *wptr, int *iptr, double *x1, double *x2, double *EIGN, double *gammaRates, double *tipVector,double *tFreqs, double invariants, double pz, char *tipX1, int lower, int n) { double sum, z, lz, term, ki, freqs[20], scaler = 0.25 * (1.0 - invariants); int i, j; double *diagptable, *diagptable_start, *left, *right; for(i = 0; i < 20; i++) freqs[i] = tFreqs[i] * invariants; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19); for(i = 0; i < 4; i++) { ki = gammaRates[i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[j] * ki * lz); } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); diagptable = diagptable_start; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } if(iptr[i] < 20) term = log(((scaler * term) + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scaler * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { diagptable = diagptable_start; term = 0; for(j = 0; j < 4; j++) { left = &(x1[80 * i + 20 * j]); right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } if(iptr[i] < 20) term = log(((scaler * term) + freqs[iptr[i]]) * pow(minlikelihood, ex2[i] + ex1[i])); else term = log(scaler * term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRGAMMAPROTMULT (int *ex1, int *ex2, int *modelptr, int *wptr, double *x1, double *x2, double *EIGN, double *gammaRates, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double sum, z, lz = 0.0, term, ki; int i, j, model; double *diagptable, *diagptable_start, *left, *right; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19 * numberOfModels); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[4 * 19 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[model * 19 + j] * ki * lz); } } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[460 * model + 20 * tipX1[i]]); diagptable = &diagptable_start[76 * model]; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } term = log(0.25 * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } for (i = lower; i < n; i++) { diagptable = &diagptable_start[76 * modelptr[i]]; term = 0; for(j = 0; j < 4; j++) { left = &(x1[80 * i + 20 * j]); right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } term = log(0.25 * term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); return sum; } static double evaluateGTRGAMMAPROTMULTINVAR(int *ex1, int *ex2, int *modelptr, int *wptr, int *iptr, double *x1, double *x2, double *EIGN, double *gammaRates, double *tipVector, double *tFreqs, double *invariants, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double sum, z, lz = 0.0, term, ki; int i, j, model; double *diagptable, *diagptable_start, *left, *right, *scalers, *freqs; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19 * numberOfModels); freqs = (double *)malloc(20 * numberOfModels * sizeof(double)); scalers = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[4 * 19 * model]; scalers[model] = 0.25 * (1.0 - invariants[model]); for(i = 0; i < 20; i++) freqs[20 * model + i] = tFreqs[20 * model + i] * invariants[model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[model * 19 + j] * ki * lz); } } sum = 0.0; if(tipX1) { for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[460 * model + 20 * tipX1[i]]); diagptable = &diagptable_start[76 * model]; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } if(iptr[i] < 20) term = log(((scalers[model] * term) + freqs[model * 20 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scalers[model] * term) + (ex2[i] * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); free(freqs); free(scalers); return sum; } for (i = lower; i < n; i++) { model = modelptr[i]; diagptable = &diagptable_start[76 * model]; term = 0; for(j = 0; j < 4; j++) { left = &(x1[80 * i + 20 * j]); right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } if(iptr[i] < 20) term = log(((scalers[model] * term) + freqs[model * 20 + iptr[i]]) * pow(minlikelihood, ex2[i] + ex1[i])); else term = log(scalers[model] * term) + ((ex1[i] + ex2[i]) * log(minlikelihood)); sum += wptr[i] * term; } free(diagptable_start); free(freqs); free(scalers); return sum; } /*********************************************************************************************/ static double evaluateMixedData(int model, tree *tr, char *tip, int *ex1, int *ex2, double *x1_start, double *x2_start, double pz) { double result = 0.0; /*int l = tr->modelIndices[model][0]; int u = tr->modelIndices[model][1]; */ int l = tr->partitionData[model].lower; int u = tr->partitionData[model].upper; int width = u - l; /*int offset = tr->modelOffsets[model]; */ int offset = tr->partitionData[model].modelOffset; switch(/*tr->dataType[model]*/ tr->partitionData[model].dataType) { case DNA_DATA: switch(tr->rateHetModel) { case CAT: if(tip) result = evaluateGTRCAT(ex1, &(ex2[l]), &(tr->cdta->rateCategory[l]), &(tr->cdta->aliaswgt[l]), x1_start, &(x2_start[offset]), &(tr->EIGN_DNA[model * 3]), &(tr->cdta->patrat[0]), &(tr->tipVectorDNA[model * 64]), pz, &(tip[l]), 0, width, tr->NumberOfCategories); else result = evaluateGTRCAT(&(ex1[l]), &(ex2[l]), &(tr->cdta->rateCategory[l]), &(tr->cdta->aliaswgt[l]), &(x1_start[offset]), &(x2_start[offset]), &(tr->EIGN_DNA[model * 3]), &(tr->cdta->patrat[0]), &(tr->tipVectorDNA[model * 64]), pz, tip, 0, width, tr->NumberOfCategories); break; case GAMMA: if(tip) result = evaluateGTRGAMMA(ex1, &(ex2[l]), &(tr->cdta->aliaswgt[l]), x1_start, &(x2_start[offset]), &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), pz, &(tip[l]), 0, width); else result = evaluateGTRGAMMA(&(ex1[l]), &(ex2[l]), &(tr->cdta->aliaswgt[l]), &(x1_start[offset]), &(x2_start[offset]), &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), pz, tip, 0, width); break; case GAMMA_I: if(tip) result = evaluateGTRGAMMAINVAR(ex1, &(ex2[l]), &(tr->cdta->aliaswgt[l]), &(tr->invariant[l]), x1_start, &(x2_start[offset]), &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), &(tr->frequencies_DNA[model * 4]), tr->invariants[model], pz, &(tip[l]), 0, width); else result = evaluateGTRGAMMAINVAR(&(ex1[l]), &(ex2[l]), &(tr->cdta->aliaswgt[l]), &(tr->invariant[l]), &(x1_start[offset]), &(x2_start[offset]), &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), &(tr->frequencies_DNA[model * 4]), tr->invariants[model], pz, tip, 0, width); break; default: assert(0); } break; case AA_DATA: switch(tr->rateHetModel) { case CAT: if(tip) result = evaluateGTRCATPROT(ex1, &(ex2[l]), &(tr->cdta->rateCategory[l]), &(tr->cdta->aliaswgt[l]), x1_start, &(x2_start[offset]), &(tr->EIGN_AA[19 * model]), &(tr->cdta->patrat[0]), &(tr->tipVectorAA[model * 460]), pz, &(tip[l]), 0, width, tr->NumberOfCategories); else result = evaluateGTRCATPROT(&(ex1[l]), &(ex2[l]), &(tr->cdta->rateCategory[l]), &(tr->cdta->aliaswgt[l]), &(x1_start[offset]), &(x2_start[offset]), &(tr->EIGN_AA[19 * model]), &(tr->cdta->patrat[0]), &(tr->tipVectorAA[model * 460]), pz, tip, 0, width, tr->NumberOfCategories); break; case GAMMA: if(tip) result = evaluateGTRGAMMAPROT(ex1, &(ex2[l]), &(tr->cdta->aliaswgt[l]), x1_start, &(x2_start[offset]), &(tr->EIGN_AA[19 * model]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), pz, &(tip[l]), 0, width); else result = evaluateGTRGAMMAPROT(&(ex1[l]), &(ex2[l]), &(tr->cdta->aliaswgt[l]), &(x1_start[offset]), &(x2_start[offset]), &(tr->EIGN_AA[19 * model]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), pz, tip, 0, width); break; case GAMMA_I: if(tip) result = evaluateGTRGAMMAPROTINVAR(ex1, &(ex2[l]), &(tr->cdta->aliaswgt[l]), &(tr->invariant[l]), x1_start, &(x2_start[offset]), &(tr->EIGN_AA[model * 19]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), &(tr->frequencies_AA[model * 20]), tr->invariants[model], pz, &(tip[l]), 0, width); else result = evaluateGTRGAMMAPROTINVAR(&(ex1[l]), &(ex2[l]), &(tr->cdta->aliaswgt[l]), &(tr->invariant[l]), &(x1_start[offset]), &(x2_start[offset]), &(tr->EIGN_AA[model * 19]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), &(tr->frequencies_AA[model * 20]), tr->invariants[model], pz, tip, 0, width); break; default: assert(0); } break; default: assert(0); } return result; } #ifdef _LOCAL_DATA double evaluateIterative(tree *localTree, int startIndex, int endIndex) { double result = 0.0, *x1_start = (double*)NULL, *x2_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL; char *tip = (char*)NULL; int pNumber, qNumber; double *pz; pNumber = localTree->td[0].ti[0].pNumber; qNumber = localTree->td[0].ti[0].qNumber; pz = localTree->td[0].ti[0].qz; newviewIterative(localTree, startIndex, endIndex); if(isTip(pNumber, localTree->mxtips) || isTip(qNumber, localTree->mxtips)) { if(isTip(qNumber, localTree->mxtips)) { x2_start = getLikelihoodArray(pNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); tip = localTree->strided_yVector[qNumber]; } else { x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); tip = localTree->strided_yVector[pNumber]; } } else { x1_start = getLikelihoodArray(pNumber, localTree->mxtips, localTree->xVector); x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); ex1 = getScalingArray(pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); ex2 = getScalingArray(qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); } if(localTree->mixedData) { assert(0); /* for(model = 0; model < localTree->NumberOfModels; model++) { if(multiBranch) branchIndex = model; else branchIndex = 0; result += evaluateMixedData(model, tr, tip, ex1, ex2, x1_start, x2_start, pz[branchIndex]); } */ } else { switch(localTree->likelihoodFunction) { case GTRCAT: result = evaluateGTRCAT(ex1, ex2, &(localTree->strided_rateCategory[startIndex]), &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_DNA, localTree->strided_patrat, localTree->tipVectorDNA, pz[0], tip, 0, (endIndex - startIndex), localTree->NumberOfCategories); break; case GTRCATMULT: result = evaluateGTRCATMULT(ex1, ex2, &(localTree->strided_rateCategory[startIndex]), &(localTree->strided_model[startIndex]), &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_DNA, localTree->strided_patrat, localTree->tipVectorDNA, pz, tip, 0, (endIndex - startIndex), localTree->NumberOfCategories, localTree->NumberOfModels, localTree->multiBranch); break; case PROTCAT: result = evaluateGTRCATPROT(ex1, ex2, &(localTree->strided_rateCategory[startIndex]), &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_AA, localTree->strided_patrat, localTree->tipVectorAA, pz[0], tip, 0, (endIndex - startIndex), localTree->NumberOfCategories); break; case PROTCATMULT: result = evaluateGTRCATPROTMULT(ex1, ex2, &(localTree->strided_rateCategory[startIndex]), &(localTree->strided_model[startIndex]), &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_AA, localTree->strided_patrat, localTree->tipVectorAA, pz, tip, 0, (endIndex - startIndex), localTree->NumberOfCategories, localTree->NumberOfModels, localTree->multiBranch); break; case GTRGAMMA: result = evaluateGTRGAMMA(ex1, ex2, &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, pz[0], tip, 0, (endIndex - startIndex)); break; case GTRGAMMAI: result = evaluateGTRGAMMAINVAR(ex1, ex2, &(localTree->strided_aliaswgt[startIndex]), &(localTree->strided_invariant[startIndex]), x1_start, x2_start, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, localTree->frequencies_DNA, localTree->invariants[0], pz[0], tip, 0, (endIndex - startIndex)); break; case GTRGAMMAMULT: result = evaluateGTRGAMMAMULT(ex1, ex2, &(localTree->strided_model[startIndex]), &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, pz, tip, 0, (endIndex - startIndex), localTree->NumberOfModels, localTree->multiBranch); break; case GTRGAMMAMULTI: result = evaluateGTRGAMMAMULTINVAR(ex1, ex2, &(localTree->strided_model[startIndex]), &(localTree->strided_aliaswgt[startIndex]), &(localTree->strided_invariant[startIndex]), x1_start, x2_start, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, localTree->frequencies_DNA, localTree->invariants, pz, tip, 0, (endIndex - startIndex), localTree->NumberOfModels, localTree->multiBranch); break; case PROTGAMMA: result = evaluateGTRGAMMAPROT(ex1, ex2, &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, pz[0], tip, 0, (endIndex - startIndex)); break; case PROTGAMMAI: result = evaluateGTRGAMMAPROTINVAR(ex1, ex2, &(localTree->strided_aliaswgt[startIndex]), &(localTree->strided_invariant[startIndex]), x1_start, x2_start, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, localTree->frequencies_AA, localTree->invariants[0], pz[0], tip, 0, (endIndex - startIndex)); break; case PROTGAMMAMULT: result = evaluateGTRGAMMAPROTMULT(ex1, ex2, &(localTree->strided_model[startIndex]), &(localTree->strided_aliaswgt[startIndex]), x1_start, x2_start, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, pz, tip, 0, (endIndex - startIndex), localTree->NumberOfModels, localTree->multiBranch); break; case PROTGAMMAMULTI: result = evaluateGTRGAMMAPROTMULTINVAR(ex1, ex2, &(localTree->strided_model[startIndex]), &(localTree->strided_aliaswgt[startIndex]), &(localTree->strided_invariant[startIndex]), x1_start, x2_start, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, localTree->frequencies_AA, localTree->invariants, pz, tip, 0, (endIndex - startIndex), localTree->NumberOfModels, localTree->multiBranch ); break; default: assert(0); } } return result; } #else double evaluateIterative(tree *tr, int startIndex, int endIndex) { double result = 0.0, *x1_start = (double*)NULL, *x2_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL; char *tip = (char*)NULL; int pNumber, qNumber; double *pz; pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; pz = tr->td[0].ti[0].qz; newviewIterative(tr, startIndex, endIndex); if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(isTip(qNumber, tr->rdta->numsp)) { x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[qNumber]; } else { x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[pNumber]; } } else { x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex1 = getScalingArray(pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); } if(tr->mixedData) { int model, branchIndex; for(model = 0; model < tr->NumberOfModels; model++) { if(tr->multiBranch) branchIndex = model; else branchIndex = 0; result += evaluateMixedData(model, tr, tip, ex1, ex2, x1_start, x2_start, pz[branchIndex]); } } else { switch(tr->likelihoodFunction) { case GTRCAT: result = evaluateGTRCAT(ex1, ex2, tr->cdta->rateCategory, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_DNA, tr->cdta->patrat, tr->tipVectorDNA, pz[0], tip, startIndex, endIndex, tr->NumberOfCategories); break; case GTRCATMULT: result = evaluateGTRCATMULT(ex1, ex2, tr->cdta->rateCategory, tr->model, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_DNA, tr->cdta->patrat, tr->tipVectorDNA, pz, tip, startIndex, endIndex, tr->NumberOfCategories, tr->NumberOfModels, tr->multiBranch); break; case PROTCAT: result = evaluateGTRCATPROT(ex1, ex2, tr->cdta->rateCategory, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_AA, tr->cdta->patrat, tr->tipVectorAA, pz[0], tip, startIndex, endIndex, tr->NumberOfCategories); break; case PROTCATMULT: result = evaluateGTRCATPROTMULT(ex1, ex2, tr->cdta->rateCategory, tr->model, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_AA, tr->cdta->patrat, tr->tipVectorAA, pz, tip, startIndex, endIndex, tr->NumberOfCategories, tr->NumberOfModels, tr->multiBranch); break; case GTRGAMMA: result = evaluateGTRGAMMA(ex1, ex2, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, pz[0], tip, startIndex, endIndex); break; case GTRGAMMAI: result = evaluateGTRGAMMAINVAR(ex1, ex2, tr->cdta->aliaswgt, tr->invariant, x1_start, x2_start, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, tr->frequencies_DNA, tr->invariants[0], pz[0], tip, startIndex, endIndex); break; case GTRGAMMAMULT: result = evaluateGTRGAMMAMULT(ex1, ex2, tr->model, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case GTRGAMMAMULTI: result = evaluateGTRGAMMAMULTINVAR(ex1, ex2, tr->model, tr->cdta->aliaswgt, tr->invariant, x1_start, x2_start, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, tr->frequencies_DNA, tr->invariants, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case PROTGAMMA: result = evaluateGTRGAMMAPROT(ex1, ex2, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, pz[0], tip, startIndex, endIndex); break; case PROTGAMMAI: result = evaluateGTRGAMMAPROTINVAR(ex1, ex2, tr->cdta->aliaswgt, tr->invariant, x1_start, x2_start, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, tr->frequencies_AA, tr->invariants[0], pz[0], tip, startIndex, endIndex); break; case PROTGAMMAMULT: result = evaluateGTRGAMMAPROTMULT(ex1, ex2, tr->model, tr->cdta->aliaswgt, x1_start, x2_start, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case PROTGAMMAMULTI: result = evaluateGTRGAMMAPROTMULTINVAR(ex1, ex2, tr->model, tr->cdta->aliaswgt, tr->invariant, x1_start, x2_start, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, tr->frequencies_AA, tr->invariants, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch ); break; default: assert(0); } } return result; } #endif double evaluateGeneric (tree *tr, nodeptr p) { double result; nodeptr q = p->back; int i; #ifdef _MULTI_GENE if(tr->doMulti) { int model; result = 0.0; for(model = 0; model < tr->NumberOfModels; model++) { double erg; tr->td[model].ti[0].pNumber = p->number; tr->td[model].ti[0].qNumber = q->number; tr->td[model].ti[0].qz[model] = q->z[model]; tr->td[model].count = 1; if(!p->xs[model]) computeMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); if(!q->xs[model]) computeMultiTraversalInfo(q, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); printf("Model %d Count %d %d %d\n", model, tr->td[model].count, (p->backs[model])?1:0, (q->backs[model])?1:0); /* if(!p->backs[model]) { assert(q->backs[model] != p); result += tr->perPartitionLH[model]; newviewIterativePartition(tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model); } else */ if(p->backs[model]) { tr->td[model].ti[0].qNumber = p->backs[model]->number; /* printf("%d %d\n", (p->backs[model])?1:0, (q->backs[model])?1:0); */ result += (erg = evaluateIterativePartition(tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model)); } else { result += tr->perPartitionLH[model]; newviewIterativePartition(tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model); } } } else #endif { tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(i = 0; i < tr->numBranches; i++) tr->td[0].ti[0].qz[i] = q->z[i]; tr->td[0].count = 1; if(!p->x) computeTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(!q->x) computeTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); #ifdef _USE_PTHREADS masterBarrier(THREAD_EVALUATE, tr); for(i = 0, result = 0.0; i < NumberOfThreads; i++) result += reductionBuffer[i]; #else result = evaluateIterative(tr, 0, tr->cdta->endsite); #endif } tr->likelihood = result; return result; } double evaluateGenericInitrav (tree *tr, nodeptr p) { double result; #ifdef _MULTI_GENE if(tr->doMulti) { int model; result = 0.0; determineFullMultiTraversal(tr); for(model = 0; model < tr->NumberOfModels; model++) { tr->perPartitionLH[model] = evaluateIterativePartition(tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model); result += tr->perPartitionLH[model]; } } else #endif { determineFullTraversal(p, tr); #ifdef _USE_PTHREADS { int i; masterBarrier(THREAD_EVALUATE, tr); for(i = 0, result = 0.0; i < NumberOfThreads; i++) result += reductionBuffer[i]; } #else result = evaluateIterative(tr, 0, tr->cdta->endsite); #endif } tr->likelihood = result; return result; } void onlyInitravPartition(tree *tr, nodeptr p, int model) { int lower, upper; determineFullTraversal(p, tr); lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; tr->modelNumber = model; #ifdef _USE_PTHREADS masterBarrier(THREAD_NEWVIEW_PARTITION, tr); #else newviewIterativePartition(tr, lower, upper, model); #endif } void onlyInitrav(tree *tr, nodeptr p) { determineFullTraversal(p, tr); #ifdef _USE_PTHREADS masterBarrier(THREAD_NEWVIEW, tr); #else newviewIterative(tr, 0, tr->cdta->endsite); #endif } double evaluateGenericInitravPartition(tree *tr, nodeptr p, int model) { double result; int lower, upper; determineFullTraversal(p, tr); lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; #ifdef _USE_PTHREADS { int i; tr->modelNumber = model; masterBarrier(THREAD_EVALUATE_PARTITION, tr); for(i = 0, result = 0.0; i < NumberOfThreads; i++) result += reductionBuffer[i]; } #else result = evaluateIterativePartition(tr, lower, upper, model); #endif tr->likelihood = result; return result; } #ifdef _LOCAL_DATA double evaluateIterativePartition(tree *localTree, int lower, int upper, int model) { double result = 0.0, *x1_start = (double*)NULL, *x2_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL; char *tip = (char*)NULL; int pNumber, qNumber, branchIndex; double *pz; if(localTree->multiBranch) branchIndex = model; else branchIndex = 0; pNumber = localTree->td[0].ti[0].pNumber; qNumber = localTree->td[0].ti[0].qNumber; pz = localTree->td[0].ti[0].qz; newviewIterativePartition(localTree, lower, upper, model); if(isTip(pNumber, localTree->mxtips) || isTip(qNumber, localTree->mxtips)) { if(isTip(qNumber, localTree->mxtips)) { x2_start = getLikelihoodArray(pNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); tip = localTree->strided_yVector[qNumber]; } else { x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); tip = localTree->strided_yVector[pNumber]; } } else { x1_start = getLikelihoodArray(pNumber, localTree->mxtips, localTree->xVector); x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); ex1 = getScalingArray(pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); ex2 = getScalingArray(qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); } if(localTree->mixedData) { assert(0); /*result = evaluateMixedData(model, tr, tip, ex1, ex2, x1_start, x2_start, pz[branchIndex]);*/ } else { switch(localTree->likelihoodFunction) { case GTRCAT: case GTRCATMULT: result = evaluateGTRCAT(ex1, ex2, localTree->strided_rateCategory, localTree->strided_aliaswgt, x1_start, x2_start, &(localTree->EIGN_DNA[model * 3]), localTree->strided_patrat, &(localTree->tipVectorDNA[model * 64]), pz[branchIndex], tip, lower, upper, localTree->NumberOfCategories); break; case GTRGAMMA: case GTRGAMMAMULT: result = evaluateGTRGAMMA(ex1, ex2, localTree->strided_aliaswgt, x1_start, x2_start, &(localTree->EIGN_DNA[model * 3]), &(localTree->gammaRates[model * 4]), &(localTree->tipVectorDNA[model * 64]), pz[branchIndex], tip, lower, upper); break; case GTRGAMMAI: /* needed for rate opt*/ case GTRGAMMAMULTI: result = evaluateGTRGAMMAINVAR(ex1, ex2, localTree->strided_aliaswgt, localTree->strided_invariant, x1_start, x2_start, &(localTree->EIGN_DNA[model * 3]), &(localTree->gammaRates[model * 4]), &(localTree->tipVectorDNA[model * 64]), &(localTree->frequencies_DNA[model * 4]), localTree->invariants[model], pz[branchIndex], tip, lower, upper); break; case PROTGAMMA: /* needed for rate opt*/ case PROTGAMMAMULT: result = evaluateGTRGAMMAPROT(ex1, ex2, localTree->strided_aliaswgt, x1_start, x2_start, &(localTree->EIGN_AA[model * 19]), &(localTree->gammaRates[model * 4]), &(localTree->tipVectorAA[model * 460]), pz[branchIndex], tip, lower, upper); break; case PROTGAMMAI: /* needed for rate opt*/ case PROTGAMMAMULTI: result = evaluateGTRGAMMAPROTINVAR(ex1, ex2, localTree->strided_aliaswgt, localTree->strided_invariant, x1_start, x2_start, &(localTree->EIGN_AA[model * 19]), &(localTree->gammaRates[model * 4]), &(localTree->tipVectorAA[model * 460]), &(localTree->frequencies_AA[model * 20]), localTree->invariants[model], pz[branchIndex], tip, lower, upper); break; default: assert(0); } } return result; } #else double evaluateIterativePartition(tree *tr, int lower, int upper, int model) { double result = 0.0, *x1_start = (double*)NULL, *x2_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL; char *tip = (char*)NULL; int pNumber, qNumber, branchIndex; double *pz; if(tr->multiBranch) branchIndex = model; else branchIndex = 0; #ifdef _MULTI_GENE if(tr->doMulti) { pNumber = tr->td[model].ti[0].pNumber; qNumber = tr->td[model].ti[0].qNumber; pz = tr->td[model].ti[0].qz; } else { pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; pz = tr->td[0].ti[0].qz; } #else pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; pz = tr->td[0].ti[0].qz; #endif newviewIterativePartition(tr, lower, upper, model); if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(isTip(qNumber, tr->rdta->numsp)) { x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[qNumber]; } else { x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[pNumber]; } } else { x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex1 = getScalingArray(pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); } if(tr->mixedData) { result = evaluateMixedData(model, tr, tip, ex1, ex2, x1_start, x2_start, pz[branchIndex]); } else { switch(tr->likelihoodFunction) { case GTRCAT: case GTRCATMULT: result = evaluateGTRCAT(ex1, ex2, tr->cdta->rateCategory, tr->cdta->aliaswgt, x1_start, x2_start, &(tr->EIGN_DNA[model * 3]), tr->cdta->patrat, &(tr->tipVectorDNA[model * 64]), pz[branchIndex], tip, lower, upper, tr->NumberOfCategories); break; case GTRGAMMA: /* needed for rate opt*/ case GTRGAMMAMULT: result = evaluateGTRGAMMA(ex1, ex2, tr->cdta->aliaswgt, x1_start, x2_start, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), pz[branchIndex], tip, lower, upper); break; case GTRGAMMAI: /* needed for rate opt*/ case GTRGAMMAMULTI: result = evaluateGTRGAMMAINVAR(ex1, ex2, tr->cdta->aliaswgt, tr->invariant, x1_start, x2_start, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), &(tr->frequencies_DNA[model * 4]), tr->invariants[model], pz[branchIndex], tip, lower, upper); break; case PROTGAMMA: /* needed for rate opt*/ case PROTGAMMAMULT: result = evaluateGTRGAMMAPROT(ex1, ex2, tr->cdta->aliaswgt, x1_start, x2_start, &(tr->EIGN_AA[model * 19]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), pz[branchIndex], tip, lower, upper); break; case PROTGAMMAI: /* needed for rate opt*/ case PROTGAMMAMULTI: result = evaluateGTRGAMMAPROTINVAR(ex1, ex2, tr->cdta->aliaswgt, tr->invariant, x1_start, x2_start, &(tr->EIGN_AA[model * 19]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), &(tr->frequencies_AA[model * 20]), tr->invariants[model], pz[branchIndex], tip, lower, upper); break; default: assert(0); } } return result; } #endif double evaluatePartitionGeneric (tree *tr, nodeptr p, int model) { double result; nodeptr q = p->back; int i, lower, upper; lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(i = 0; i < tr->numBranches; i++) tr->td[0].ti[0].qz[i] = q->z[i]; tr->td[0].count = 1; if(!p->x) computeTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(!q->x) computeTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); #ifdef _USE_PTHREADS tr->modelNumber = model; masterBarrier(THREAD_EVALUATE_PARTITION, tr); for(i = 0, result = 0.0; i < NumberOfThreads; i++) result += reductionBuffer[i]; #else result = evaluateIterativePartition(tr, lower, upper, model); #endif tr->likelihood = result; return result; } ./arbsrc_9167/GDE/RAxML/evaluateGenericVector.c0000644012664100000130000011760111213220010021077 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" static void evaluateGTRCAT_VECTOR (int *ex2, int *cptr, double *x2_start, double *v, double *EIGN, double *rptr, double *tipVector, double pz, char *tipX1, int lower, int n, int numberOfCategories) { double z, lz, ki, lz1, lz2, lz3, term; int i; double *diagptable, *diagptable_start; double *x1, *x2; z = pz; if (z < zmin) z = zmin; lz = log(z); lz1 = EIGN[0] * lz; lz2 = EIGN[1] * lz; lz3 = EIGN[2] * lz; diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 3); for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp(ki * lz1); *diagptable++ = exp(ki * lz2); *diagptable++ = exp(ki * lz3); } for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[4 * i]; diagptable = &diagptable_start[3 * cptr[i]]; term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; term = log(term) + (ex2[i] * log(minlikelihood)); v[i] = term; } free(diagptable_start); } static void evaluateGTRCATMULT_VECTOR (int *ex2, int *cptr, int *modelptr, double *x2_start, double *v, double *EIGN, double *rptr, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfCategories, int numberOfModels, int multiBranch) { double z, lz = 0.0, ki, lz1, lz2, lz3, term; int i; double *diagptable, *diagptable_start; double *x1, *x2; int model, modelCounter; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 3 * numberOfModels); for(modelCounter = 0; modelCounter < numberOfModels; modelCounter++) { if(multiBranch) { z = pz[modelCounter]; if (z < zmin) z = zmin; lz = log(z); } lz1 = EIGN[modelCounter * 3] * lz; lz2 = EIGN[modelCounter * 3 + 1] * lz; lz3 = EIGN[modelCounter * 3 + 2] * lz; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp (ki * lz1); *diagptable++ = exp (ki * lz2); *diagptable++ = exp (ki * lz3); } } for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[model * 64 + 4 * tipX1[i]]); x2 = &x2_start[4 * i]; diagptable = &diagptable_start[model * 3 * numberOfCategories + 3 * cptr[i]]; term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; term = (log(term)) + (ex2[i] * log(minlikelihood)); v[i] = term; } free(diagptable_start); } static void evaluateGTRCATPROT_VECTOR (int *ex2, int *cptr, double *x2, double *v, double *EIGN, double *rptr, double *tipVector, double pz, char *tipX1, int lower, int n, int numberOfCategories) { double z, lz, ki, lza[19]; int i, l; double *diagptable, *diagptable_start; double term; double *left, *right; z = pz; if (z < zmin) z = zmin; lz = log(z); for(l = 0; l < 19; l++) lza[l] = EIGN[l] * lz; diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 19); for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp (ki * lza[0]); *diagptable++ = exp (ki * lza[1]); *diagptable++ = exp (ki * lza[2]); *diagptable++ = exp (ki * lza[3]); *diagptable++ = exp (ki * lza[4]); *diagptable++ = exp (ki * lza[5]); *diagptable++ = exp (ki * lza[6]); *diagptable++ = exp (ki * lza[7]); *diagptable++ = exp (ki * lza[8]); *diagptable++ = exp (ki * lza[9]); *diagptable++ = exp (ki * lza[10]); *diagptable++ = exp (ki * lza[11]); *diagptable++ = exp (ki * lza[12]); *diagptable++ = exp (ki * lza[13]); *diagptable++ = exp (ki * lza[14]); *diagptable++ = exp (ki * lza[15]); *diagptable++ = exp (ki * lza[16]); *diagptable++ = exp (ki * lza[17]); *diagptable++ = exp (ki * lza[18]); } for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); right = &(x2[20 * i]); diagptable = &diagptable_start[19 * cptr[i]]; term = left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; term = log(term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRCATPROTMULT_VECTOR (int *ex2, int *cptr, int *modelptr, double *x2, double *v, double *EIGN, double *rptr, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfCategories, int numberOfModels, int multiBranch) { double z, lz = 0.0, ki, lza[19]; int i, l; double *diagptable, *diagptable_start; double term; double *left, *right; int model, modelCounter; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * numberOfCategories * 19 * numberOfModels); for(modelCounter = 0; modelCounter < numberOfModels; modelCounter++) { if(!multiBranch) { z = pz[modelCounter]; if (z < zmin) z = zmin; lz = log(z); } for(l = 0; l < 19; l++) lza[l] = EIGN[modelCounter * 19 + l] * lz; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; *diagptable++ = exp (ki * lza[0]); *diagptable++ = exp (ki * lza[1]); *diagptable++ = exp (ki * lza[2]); *diagptable++ = exp (ki * lza[3]); *diagptable++ = exp (ki * lza[4]); *diagptable++ = exp (ki * lza[5]); *diagptable++ = exp (ki * lza[6]); *diagptable++ = exp (ki * lza[7]); *diagptable++ = exp (ki * lza[8]); *diagptable++ = exp (ki * lza[9]); *diagptable++ = exp (ki * lza[10]); *diagptable++ = exp (ki * lza[11]); *diagptable++ = exp (ki * lza[12]); *diagptable++ = exp (ki * lza[13]); *diagptable++ = exp (ki * lza[14]); *diagptable++ = exp (ki * lza[15]); *diagptable++ = exp (ki * lza[16]); *diagptable++ = exp (ki * lza[17]); *diagptable++ = exp (ki * lza[18]); } } for(i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[model * 460 + 20 * tipX1[i]]); right = &(x2[20 * i]); diagptable = &diagptable_start[model * 19 * numberOfCategories + 19 * cptr[i]]; term = left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; term = log(term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRGAMMA_VECTOR (int *ex2, double *x2_start, double *v, double *EIGN, double *gammaRates, double *tipVector, double pz, char *tipX1, int lower, int n) { double z, lz, term, ki; int i; double *diagptable, *diagptable_start; double *x1, *x2; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 3); for(i = 0; i < 4; i++) { ki = gammaRates[i]; *diagptable++ = exp (EIGN[0] * ki * lz); *diagptable++ = exp (EIGN[1] * ki * lz); *diagptable++ = exp (EIGN[2] * ki * lz); } for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = diagptable_start; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[0] * x2[4]; term += x1[1] * x2[5] * *diagptable++; term += x1[2] * x2[6] * *diagptable++; term += x1[3] * x2[7] * *diagptable++; /* cat 2 */ term += x1[0] * x2[8]; term += x1[1] * x2[9] * *diagptable++; term += x1[2] * x2[10] * *diagptable++; term += x1[3] * x2[11] * *diagptable++; /* cat 3 */ term += x1[0] * x2[12]; term += x1[1] * x2[13] * *diagptable++; term += x1[2] * x2[14] * *diagptable++; term += x1[3] * x2[15] * *diagptable++; term = log(0.25 * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRGAMMAMULT_VECTOR(int *ex2, int *modelptr, double *x2_start, double *v, double *EIGN, double *gammaRates, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double z, lz = 0.0, term, ki; int i; double *diagptable, *diagptable_start; double *x1, *x2; int model; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 12 * numberOfModels); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[12 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); } } for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[64 * model + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = &diagptable_start[12 * model]; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[0] * x2[4]; term += x1[1] * x2[5] * *diagptable++; term += x1[2] * x2[6] * *diagptable++; term += x1[3] * x2[7] * *diagptable++; /* cat 2 */ term += x1[0] * x2[8]; term += x1[1] * x2[9] * *diagptable++; term += x1[2] * x2[10] * *diagptable++; term += x1[3] * x2[11] * *diagptable++; /* cat 3 */ term += x1[0] * x2[12]; term += x1[1] * x2[13] * *diagptable++; term += x1[2] * x2[14] * *diagptable++; term += x1[3] * x2[15] * *diagptable++; term = log(0.25 * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRGAMMAMULTINVAR_VECTOR(int *ex2, int *modelptr, int *iptr, double *x2_start, double *v, double *EIGN, double *gammaRates, double *tipVector, double *tFreqs, double *invariants, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double z, lz = 0.0, term, ki; int i, model; double *diagptable, *diagptable_start; double *x1, *x2; double *scalers; double *freqs; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 12 * numberOfModels); freqs = (double *)malloc(4 * numberOfModels * sizeof(double)); scalers = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } scalers[model] = 0.25 * (1.0 - invariants[model]); freqs[4 * model] = tFreqs[4 * model] * invariants[model]; freqs[4 * model + 1] = tFreqs[4 * model + 1] * invariants[model]; freqs[4 * model + 2] = tFreqs[4 * model + 2] * invariants[model]; freqs[4 * model + 3] = tFreqs[4 * model + 3] * invariants[model]; diagptable = &diagptable_start[12 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); } } for (i = lower; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[64 * model + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; diagptable = &diagptable_start[12 * model]; /* cat 0 */ term = x1[0] * x2[0]; term += x1[1] * x2[1] * *diagptable++; term += x1[2] * x2[2] * *diagptable++; term += x1[3] * x2[3] * *diagptable++; /* cat 1 */ term += x1[0] * x2[4]; term += x1[1] * x2[5] * *diagptable++; term += x1[2] * x2[6] * *diagptable++; term += x1[3] * x2[7] * *diagptable++; /* cat 2 */ term += x1[0] * x2[8]; term += x1[1] * x2[9] * *diagptable++; term += x1[2] * x2[10] * *diagptable++; term += x1[3] * x2[11] * *diagptable++; /* cat 3 */ term += x1[0] * x2[12]; term += x1[1] * x2[13] * *diagptable++; term += x1[2] * x2[14] * *diagptable++; term += x1[3] * x2[15] * *diagptable++; if(iptr[i] < 4) term = log((scalers[model] * term + freqs[model * 4 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scalers[model] * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); free(scalers); free(freqs); } static void evaluateGTRGAMMAINVAR_VECTOR(int *ex2, int *iptr, double *x2_start, double *v, double *EIGN, double *gammaRates, double *tipVector, double *tFreqs, double invariants, double pz, char *tipX1, int lower, int n) { double z, lz, term, ki; int i; double *diagptable; double freqs[4]; double *x1, *x2; double scaler = 0.25 * (1.0 - invariants); freqs[0] = tFreqs[0] * invariants; freqs[1] = tFreqs[1] * invariants; freqs[2] = tFreqs[2] * invariants; freqs[3] = tFreqs[3] * invariants; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = (double *)malloc(sizeof(double) * 16); for(i = 0; i < 4; i++) { ki = gammaRates[i]; diagptable[i * 4] = 1.0; diagptable[i * 4 + 1] = exp (EIGN[0] * ki * lz); diagptable[i * 4 + 2] = exp (EIGN[1] * ki * lz); diagptable[i * 4 + 3] = exp (EIGN[2] * ki * lz); } for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[0] * x2[4] * diagptable[4]; term += x1[1] * x2[5] * diagptable[5]; term += x1[2] * x2[6] * diagptable[6]; term += x1[3] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[0] * x2[8] * diagptable[8]; term += x1[1] * x2[9] * diagptable[9]; term += x1[2] * x2[10] * diagptable[10]; term += x1[3] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[0] * x2[12] * diagptable[12]; term += x1[1] * x2[13] * diagptable[13]; term += x1[2] * x2[14] * diagptable[14]; term += x1[3] * x2[15] * diagptable[15]; if(iptr[i] < 4) term = log((scaler * term + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scaler * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable); } static void evaluateGTRGAMMAPROT_VECTOR(int *ex2, double *x2, double *v, double *EIGN, double *gammaRates, double *tipVector, double pz, char *tipX1, int lower, int n) { double z, lz, term, ki; int i, j; double *diagptable, *diagptable_start; double *left, *right; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19); for(i = 0; i < 4; i++) { ki = gammaRates[i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[j] * ki * lz); } for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); diagptable = diagptable_start; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } term = log(0.25 * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRGAMMAPROTINVAR_VECTOR(int *ex2, int *iptr, double *x2, double *v, double *EIGN, double *gammaRates, double *tipVector,double *tFreqs, double invariants, double pz, char *tipX1, int lower, int n) { double z, lz, term, ki; int i, j; double *diagptable, *diagptable_start; double *left, *right; double scaler = 0.25 * (1.0 - invariants); double freqs[20]; for(i = 0; i < 20; i++) freqs[i] = tFreqs[i] * invariants; z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19); for(i = 0; i < 4; i++) { ki = gammaRates[i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[j] * ki * lz); } for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); diagptable = diagptable_start; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } if(iptr[i] < 20) term = log((scaler * term + freqs[iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scaler * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRGAMMAPROTMULT_VECTOR (int *ex2, int *modelptr, double *x2, double *v, double *EIGN, double *gammaRates, double *tipVector, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double z, lz = 0.0, term, ki; int i, j; double *diagptable, *diagptable_start; double *left, *right; int model; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19 * numberOfModels); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[4 * 19 * model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[model * 19 + j] * ki * lz); } } for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[460 * model + 20 * tipX1[i]]); diagptable = &diagptable_start[76 * model]; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } term = log(0.25 * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); } static void evaluateGTRGAMMAPROTMULTINVAR_VECTOR(int *ex2, int *modelptr, int *iptr, double *x2, double *v, double *EIGN, double *gammaRates, double *tipVector, double *tFreqs, double *invariants, double *pz, char *tipX1, int lower, int n, int numberOfModels, int multiBranch) { double z, lz = 0.0, term, ki; int i, j; double *diagptable, *diagptable_start; double *left, *right; int model; double *scalers; double *freqs; if(!multiBranch) { z = pz[0]; if (z < zmin) z = zmin; lz = log(z); } diagptable = diagptable_start = (double *)malloc(sizeof(double) * 4 * 19 * numberOfModels); freqs = (double *)malloc(20 * numberOfModels * sizeof(double)); scalers = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z = pz[model]; if (z < zmin) z = zmin; lz = log(z); } diagptable = &diagptable_start[4 * 19 * model]; scalers[model] = 0.25 * (1.0 - invariants[model]); for(i = 0; i < 20; i++) freqs[20 * model + i] = tFreqs[20 * model + i] * invariants[model]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; for(j = 0; j < 19; j++) *diagptable++ = exp (EIGN[model * 19 + j] * ki * lz); } } for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[460 * model + 20 * tipX1[i]]); diagptable = &diagptable_start[76 * model]; term = 0; for(j = 0; j < 4; j++) { right = &(x2[80 * i + 20 * j]); term += left[0] * right[0]; term += left[1] * right[1] * *diagptable++; term += left[2] * right[2] * *diagptable++; term += left[3] * right[3] * *diagptable++; term += left[4] * right[4] * *diagptable++; term += left[5] * right[5] * *diagptable++; term += left[6] * right[6] * *diagptable++; term += left[7] * right[7] * *diagptable++; term += left[8] * right[8] * *diagptable++; term += left[9] * right[9] * *diagptable++; term += left[10] * right[10] * *diagptable++; term += left[11] * right[11] * *diagptable++; term += left[12] * right[12] * *diagptable++; term += left[13] * right[13] * *diagptable++; term += left[14] * right[14] * *diagptable++; term += left[15] * right[15] * *diagptable++; term += left[16] * right[16] * *diagptable++; term += left[17] * right[17] * *diagptable++; term += left[18] * right[18] * *diagptable++; term += left[19] * right[19] * *diagptable++; } if(iptr[i] < 20) term = log((scalers[model] * term + freqs[model * 20 + iptr[i]]) * pow(minlikelihood, ex2[i])); else term = log(scalers[model] * term) + ex2[i] * log(minlikelihood); v[i] = term; } free(diagptable_start); free(freqs); free(scalers); } #ifdef _LOCAL_DATA void evaluateGenericVectorIterative(tree *localTree, int startIndex, int endIndex) { double *x2_start, *pz, *v; char *tip; int *ex2; int pNumber, qNumber; v = localTree->strided_siteLL_Vector; pNumber = localTree->td[0].ti[0].pNumber; qNumber = localTree->td[0].ti[0].qNumber; pz = localTree->td[0].ti[0].qz; newviewIterative(localTree, startIndex, endIndex); x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(qNumber, localTree->cdta->endsite, localTree->mxtips, localTree->expArray); tip = localTree->strided_yVector[pNumber]; if(localTree->mixedData) { assert(0); } else { switch(localTree->likelihoodFunction) { case GTRCAT: evaluateGTRCAT_VECTOR(ex2, localTree->strided_rateCategory, x2_start, v, localTree->EIGN_DNA, localTree->strided_patrat, localTree->tipVectorDNA, pz[0], tip, startIndex, endIndex, localTree->NumberOfCategories); break; case GTRCATMULT: evaluateGTRCATMULT_VECTOR(ex2, localTree->strided_rateCategory, localTree->strided_model, x2_start, v, localTree->EIGN_DNA, localTree->strided_patrat, localTree->tipVectorDNA, pz, tip, startIndex, endIndex, localTree->NumberOfCategories, localTree->NumberOfModels, localTree->multiBranch); break; case PROTCAT: evaluateGTRCATPROT_VECTOR(ex2, localTree->strided_rateCategory, x2_start, v, localTree->EIGN_AA, localTree->strided_patrat, localTree->tipVectorAA, pz[0], tip, startIndex, endIndex, localTree->NumberOfCategories); break; case PROTCATMULT: evaluateGTRCATPROTMULT_VECTOR(ex2, localTree->strided_rateCategory, localTree->strided_model, x2_start, v, localTree->EIGN_AA, localTree->strided_patrat, localTree->tipVectorAA, pz, tip, startIndex, endIndex, localTree->NumberOfCategories, localTree->NumberOfModels, localTree->multiBranch); break; case GTRGAMMA: evaluateGTRGAMMA_VECTOR(ex2, x2_start, v, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, pz[0], tip, startIndex, endIndex); break; case GTRGAMMAI: evaluateGTRGAMMAINVAR_VECTOR(ex2, localTree->strided_invariant, x2_start, v, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, localTree->frequencies_DNA, localTree->invariants[0], pz[0], tip, startIndex, endIndex); break; case GTRGAMMAMULT: evaluateGTRGAMMAMULT_VECTOR(ex2, localTree->strided_model, x2_start, v, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, pz, tip, startIndex, endIndex, localTree->NumberOfModels, localTree->multiBranch); break; case GTRGAMMAMULTI: evaluateGTRGAMMAMULTINVAR_VECTOR(ex2, localTree->strided_model, localTree->strided_invariant, x2_start, v, localTree->EIGN_DNA, localTree->gammaRates, localTree->tipVectorDNA, localTree->frequencies_DNA, localTree->invariants, pz, tip, startIndex, endIndex, localTree->NumberOfModels, localTree->multiBranch); break; case PROTGAMMA: evaluateGTRGAMMAPROT_VECTOR(ex2, x2_start, v, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, pz[0], tip, startIndex, endIndex); break; case PROTGAMMAI: evaluateGTRGAMMAPROTINVAR_VECTOR(ex2, localTree->strided_invariant, x2_start, v, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, localTree->frequencies_AA, localTree->invariants[0], pz[0], tip, startIndex, endIndex); break; case PROTGAMMAMULT: evaluateGTRGAMMAPROTMULT_VECTOR(ex2, localTree->strided_model, x2_start, v, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, pz, tip, startIndex, endIndex, localTree->NumberOfModels, localTree->multiBranch); break; case PROTGAMMAMULTI: evaluateGTRGAMMAPROTMULTINVAR_VECTOR(ex2, localTree->strided_model, localTree->strided_invariant, x2_start, v, localTree->EIGN_AA, localTree->gammaRates, localTree->tipVectorAA, localTree->frequencies_AA, localTree->invariants, pz, tip, startIndex, endIndex, localTree->NumberOfModels, localTree->multiBranch ); break; default: assert(0); } } } #else void evaluateGenericVectorIterative(tree *tr, int startIndex, int endIndex) { double *x2_start, *pz, *v; char *tip; int *ex2; int pNumber, qNumber; v = tr->siteLL_Vector; pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; pz = tr->td[0].ti[0].qz; newviewIterative(tr, 0, tr->cdta->endsite); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[pNumber]; if(tr->mixedData) { int model, branchIndex, width, l, u, offset; for(model = 0; model < tr->NumberOfModels; model++) { if(tr->multiBranch) branchIndex = model; else branchIndex = 0; l = tr->partitionData[model].lower; u = tr->partitionData[model].upper; offset = tr->partitionData[model].modelOffset; width = u - l; switch(tr->partitionData[model].dataType) { case DNA_DATA: switch(tr->rateHetModel) { case CAT: evaluateGTRCAT_VECTOR(&(ex2[l]), &(tr->cdta->rateCategory[l]), &(x2_start[offset]), &(v[l]), &(tr->EIGN_DNA[model * 3]), tr->cdta->patrat, &(tr->tipVectorDNA[64 * model]), pz[branchIndex], &(tip[l]), 0, width, tr->NumberOfCategories); break; case GAMMA: evaluateGTRGAMMA_VECTOR(&(ex2[l]), &(x2_start[offset]), &(v[l]), &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), pz[branchIndex], &(tip[l]), 0, width); break; case GAMMA_I: evaluateGTRGAMMAINVAR_VECTOR(&(ex2[l]), &(tr->invariant[l]), &(x2_start[offset]), &(v[l]), &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), &(tr->frequencies_DNA[model * 4]), tr->invariants[model], pz[branchIndex], &(tip[l]), 0, width); break; default: assert(0); } break; case AA_DATA: switch(tr->rateHetModel) { case CAT: evaluateGTRCATPROT_VECTOR(&(ex2[l]), &(tr->cdta->rateCategory[l]), &(x2_start[offset]), &(v[l]), &(tr->EIGN_AA[model * 19]), tr->cdta->patrat, &(tr->tipVectorAA[model * 460]), pz[branchIndex], &(tip[l]), 0, width, tr->NumberOfCategories); break; case GAMMA: evaluateGTRGAMMAPROT_VECTOR(&(ex2[l]), &(x2_start[offset]), &(v[l]), &(tr->EIGN_AA[model * 19]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), pz[branchIndex], &(tip[l]), 0, width); break; case GAMMA_I: evaluateGTRGAMMAPROTINVAR_VECTOR(&(ex2[l]), &(tr->invariant[l]), &(x2_start[offset]), &(v[l]), &(tr->EIGN_AA[model * 19]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), &(tr->frequencies_AA[model * 20]) , tr->invariants[model], pz[branchIndex], &(tip[l]), 0, width); break; default: assert(0); } break; default: assert(0); } } } else { switch(tr->likelihoodFunction) { case GTRCAT: evaluateGTRCAT_VECTOR(ex2, tr->cdta->rateCategory, x2_start, v, tr->EIGN_DNA, tr->cdta->patrat, tr->tipVectorDNA, pz[0], tip, startIndex, endIndex, tr->NumberOfCategories); break; case GTRCATMULT: evaluateGTRCATMULT_VECTOR(ex2, tr->cdta->rateCategory, tr->model, x2_start, v, tr->EIGN_DNA, tr->cdta->patrat, tr->tipVectorDNA, pz, tip, startIndex, endIndex, tr->NumberOfCategories, tr->NumberOfModels, tr->multiBranch); break; case PROTCAT: evaluateGTRCATPROT_VECTOR(ex2, tr->cdta->rateCategory, x2_start, v, tr->EIGN_AA, tr->cdta->patrat, tr->tipVectorAA, pz[0], tip, startIndex, endIndex, tr->NumberOfCategories); break; case PROTCATMULT: evaluateGTRCATPROTMULT_VECTOR(ex2, tr->cdta->rateCategory, tr->model, x2_start, v, tr->EIGN_AA, tr->cdta->patrat, tr->tipVectorAA, pz, tip, startIndex, endIndex, tr->NumberOfCategories, tr->NumberOfModels, tr->multiBranch); break; case GTRGAMMA: evaluateGTRGAMMA_VECTOR(ex2, x2_start, v, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, pz[0], tip, startIndex, endIndex); break; case GTRGAMMAI: evaluateGTRGAMMAINVAR_VECTOR(ex2, tr->invariant, x2_start, v, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, tr->frequencies_DNA, tr->invariants[0], pz[0], tip, startIndex, endIndex); break; case GTRGAMMAMULT: evaluateGTRGAMMAMULT_VECTOR(ex2, tr->model, x2_start, v, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case GTRGAMMAMULTI: evaluateGTRGAMMAMULTINVAR_VECTOR(ex2, tr->model, tr->invariant, x2_start, v, tr->EIGN_DNA, tr->gammaRates, tr->tipVectorDNA, tr->frequencies_DNA, tr->invariants, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case PROTGAMMA: evaluateGTRGAMMAPROT_VECTOR(ex2, x2_start, v, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, pz[0], tip, startIndex, endIndex); break; case PROTGAMMAI: evaluateGTRGAMMAPROTINVAR_VECTOR(ex2, tr->invariant, x2_start, v, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, tr->frequencies_AA, tr->invariants[0], pz[0], tip, startIndex, endIndex); break; case PROTGAMMAMULT: evaluateGTRGAMMAPROTMULT_VECTOR(ex2, tr->model, x2_start, v, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case PROTGAMMAMULTI: evaluateGTRGAMMAPROTMULTINVAR_VECTOR(ex2, tr->model, tr->invariant, x2_start, v, tr->EIGN_AA, tr->gammaRates, tr->tipVectorAA, tr->frequencies_AA, tr->invariants, pz, tip, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch ); break; default: assert(0); } } } #endif void evaluateGenericVector (tree *tr, nodeptr p, double *v) { nodeptr q = p->back; int i; assert(isTip(p->number, tr->rdta->numsp) || isTip(q->number, tr->rdta->numsp)); if(isTip(q->number, tr->rdta->numsp)) { nodeptr tmp = p; p = q; q = tmp; } tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(i = 0; i < tr->numBranches; i++) tr->td[0].ti[0].qz[i] = q->z[i]; tr->siteLL_Vector = v; tr->td[0].count = 1; if(!q->x) computeTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); #ifdef _USE_PTHREADS masterBarrier(THREAD_EVALUATE_VECTOR, tr); #else evaluateGenericVectorIterative(tr, 0, tr->cdta->endsite); #endif } ./arbsrc_9167/GDE/RAxML/evaluatePartialGeneric.c0000644012664100000130000006503411213220010021233 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" /********************** GTRCAT ***************************************/ #ifdef WIN32 static void computeVectorGTRCATPROT(double *lVector, int *eVector, double ki, int i, double qz, double rz, traversalInfo *ti, double *EIGN, double *EI, double *EV, double *tipVector, char **yVector, int mxtips) #else static inline void computeVectorGTRCATPROT(double *lVector, int *eVector, double ki, int i, double qz, double rz, traversalInfo *ti, double *EIGN, double *EI, double *EV, double *tipVector, char **yVector, int mxtips) #endif { double *x1, *x2, *x3; int ex3, pNumber = ti->pNumber, rNumber = ti->rNumber, qNumber = ti->qNumber; x3 = &(lVector[20 * (pNumber - mxtips)]); ex3 = pNumber - mxtips; switch(ti->tipCase) { case TIP_TIP: x1 = &(tipVector[20 * yVector[qNumber][i]]); x2 = &(tipVector[20 * yVector[rNumber][i]]); eVector[ex3] = 0; break; case TIP_INNER: x1 = &(tipVector[20 * yVector[qNumber][i]]); x2 = &( lVector[20 * (rNumber - mxtips)]); eVector[ex3] = eVector[rNumber - mxtips]; break; case INNER_INNER: x1 = &(lVector[20 * (qNumber - mxtips)]); x2 = &(lVector[20 * (rNumber - mxtips)]); eVector[ex3] = eVector[qNumber - mxtips] + eVector[rNumber - mxtips]; break; default: assert(0); } { double d1[19], d2[19], ump_x1[20], ump_x2[20], x1px2, lz1, lz2; double *left, *right, *eptr, *eptr2; int l, scale; lz1 = qz * ki; lz2 = rz * ki; left = x1; right = x2; d1[0] = left[1] * exp(EIGN[0] * lz1); d1[1] = left[2] * exp(EIGN[1] * lz1); d1[2] = left[3] * exp(EIGN[2] * lz1); d1[3] = left[4] * exp(EIGN[3] * lz1); d1[4] = left[5] * exp(EIGN[4] * lz1); d1[5] = left[6] * exp(EIGN[5] * lz1); d1[6] = left[7] * exp(EIGN[6] * lz1); d1[7] = left[8] * exp(EIGN[7] * lz1); d1[8] = left[9] * exp(EIGN[8] * lz1); d1[9] = left[10] * exp(EIGN[9] * lz1); d1[10] = left[11] * exp(EIGN[10] * lz1); d1[11] = left[12] * exp(EIGN[11] * lz1); d1[12] = left[13] * exp(EIGN[12] * lz1); d1[13] = left[14] * exp(EIGN[13] * lz1); d1[14] = left[15] * exp(EIGN[14] * lz1); d1[15] = left[16] * exp(EIGN[15] * lz1); d1[16] = left[17] * exp(EIGN[16] * lz1); d1[17] = left[18] * exp(EIGN[17] * lz1); d1[18] = left[19] * exp(EIGN[18] * lz1); d2[0] = right[1] * exp(EIGN[0] * lz2); d2[1] = right[2] * exp(EIGN[1] * lz2); d2[2] = right[3] * exp(EIGN[2] * lz2); d2[3] = right[4] * exp(EIGN[3] * lz2); d2[4] = right[5] * exp(EIGN[4] * lz2); d2[5] = right[6] * exp(EIGN[5] * lz2); d2[6] = right[7] * exp(EIGN[6] * lz2); d2[7] = right[8] * exp(EIGN[7] * lz2); d2[8] = right[9] * exp(EIGN[8] * lz2); d2[9] = right[10] * exp(EIGN[9] * lz2); d2[10] = right[11] * exp(EIGN[10] * lz2); d2[11] = right[12] * exp(EIGN[11] * lz2); d2[12] = right[13] * exp(EIGN[12] * lz2); d2[13] = right[14] * exp(EIGN[13] * lz2); d2[14] = right[15] * exp(EIGN[14] * lz2); d2[15] = right[16] * exp(EIGN[15] * lz2); d2[16] = right[17] * exp(EIGN[16] * lz2); d2[17] = right[18] * exp(EIGN[17] * lz2); d2[18] = right[19] * exp(EIGN[18] * lz2); eptr = EI; for(l = 0; l < 20; l++) { ump_x1[l] = left[0]; ump_x1[l] += d1[0] * *eptr++; ump_x1[l] += d1[1] * *eptr++; ump_x1[l] += d1[2] * *eptr++; ump_x1[l] += d1[3] * *eptr++; ump_x1[l] += d1[4] * *eptr++; ump_x1[l] += d1[5] * *eptr++; ump_x1[l] += d1[6] * *eptr++; ump_x1[l] += d1[7] * *eptr++; ump_x1[l] += d1[8] * *eptr++; ump_x1[l] += d1[9] * *eptr++; ump_x1[l] += d1[10] * *eptr++; ump_x1[l] += d1[11] * *eptr++; ump_x1[l] += d1[12] * *eptr++; ump_x1[l] += d1[13] * *eptr++; ump_x1[l] += d1[14] * *eptr++; ump_x1[l] += d1[15] * *eptr++; ump_x1[l] += d1[16] * *eptr++; ump_x1[l] += d1[17] * *eptr++; ump_x1[l] += d1[18] * *eptr++; } eptr = EI; for(l = 0; l < 20; l++) { ump_x2[l] = right[0]; ump_x2[l] += d2[0] * *eptr++; ump_x2[l] += d2[1] * *eptr++; ump_x2[l] += d2[2] * *eptr++; ump_x2[l] += d2[3] * *eptr++; ump_x2[l] += d2[4] * *eptr++; ump_x2[l] += d2[5] * *eptr++; ump_x2[l] += d2[6] * *eptr++; ump_x2[l] += d2[7] * *eptr++; ump_x2[l] += d2[8] * *eptr++; ump_x2[l] += d2[9] * *eptr++; ump_x2[l] += d2[10] * *eptr++; ump_x2[l] += d2[11] * *eptr++; ump_x2[l] += d2[12] * *eptr++; ump_x2[l] += d2[13] * *eptr++; ump_x2[l] += d2[14] * *eptr++; ump_x2[l] += d2[15] * *eptr++; ump_x2[l] += d2[16] * *eptr++; ump_x2[l] += d2[17] * *eptr++; ump_x2[l] += d2[18] * *eptr++; } left = x3; eptr2 = EV; x1px2 = ump_x1[0] * ump_x2[0]; left[0] = x1px2 * *eptr2++; left[1] = x1px2 * *eptr2++; left[2] = x1px2 * *eptr2++; left[3] = x1px2 * *eptr2++; left[4] = x1px2 * *eptr2++; left[5] = x1px2 * *eptr2++; left[6] = x1px2 * *eptr2++; left[7] = x1px2 * *eptr2++; left[8] = x1px2 * *eptr2++; left[9] = x1px2 * *eptr2++; left[10] = x1px2 * *eptr2++; left[11] = x1px2 * *eptr2++; left[12] = x1px2 * *eptr2++; left[13] = x1px2 * *eptr2++; left[14] = x1px2 * *eptr2++; left[15] = x1px2 * *eptr2++; left[16] = x1px2 * *eptr2++; left[17] = x1px2 * *eptr2++; left[18] = x1px2 * *eptr2++; left[19] = x1px2 * *eptr2++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; left[0] += x1px2 * *eptr2++; left[1] += x1px2 * *eptr2++; left[2] += x1px2 * *eptr2++; left[3] += x1px2 * *eptr2++; left[4] += x1px2 * *eptr2++; left[5] += x1px2 * *eptr2++; left[6] += x1px2 * *eptr2++; left[7] += x1px2 * *eptr2++; left[8] += x1px2 * *eptr2++; left[9] += x1px2 * *eptr2++; left[10] += x1px2 * *eptr2++; left[11] += x1px2 * *eptr2++; left[12] += x1px2 * *eptr2++; left[13] += x1px2 * *eptr2++; left[14] += x1px2 * *eptr2++; left[15] += x1px2 * *eptr2++; left[16] += x1px2 * *eptr2++; left[17] += x1px2 * *eptr2++; left[18] += x1px2 * *eptr2++; left[19] += x1px2 * *eptr2++; } scale = 1; for(l = 0; scale && (l < 20); l++) scale = ((left[l] < minlikelihood) && (left[l] > minusminlikelihood)); if(scale) { for(l = 0; l < 20; l++) left[l] *= twotothe256; eVector[ex3] += 1; } return; } } #ifdef WIN32 static void computeVectorGTRCAT(double *lVector, int *eVector, double ki, int i, double qz, double rz, traversalInfo *ti, double *EIGN, double *EI, double *EV, double *tipVector, char **yVector, int mxtips) #else static inline void computeVectorGTRCAT(double *lVector, int *eVector, double ki, int i, double qz, double rz, traversalInfo *ti, double *EIGN, double *EI, double *EV, double *tipVector, char **yVector, int mxtips) #endif { double d1[3], d2[3], ump_x1_1, ump_x1_2, ump_x1_3, ump_x1_0, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3, x1px2, lz1, lz2; double *x1, *x2, *x3; int ex3, pNumber = ti->pNumber, rNumber = ti->rNumber, qNumber = ti->qNumber; x3 = &lVector[4 * (pNumber - mxtips)]; ex3 = pNumber - mxtips; switch(ti->tipCase) { case TIP_TIP: x1 = &(tipVector[4 * yVector[qNumber][i]]); x2 = &(tipVector[4 * yVector[rNumber][i]]); eVector[ex3] = 0; break; case TIP_INNER: x1 = &(tipVector[4 * yVector[qNumber][i]]); x2 = &lVector[4 * (rNumber - mxtips)]; eVector[ex3] = eVector[rNumber - mxtips]; break; case INNER_INNER: x1 = &lVector[4 * (qNumber - mxtips)]; x2 = &lVector[4 * (rNumber - mxtips)]; eVector[ex3] = eVector[qNumber - mxtips] + eVector[rNumber - mxtips]; break; default: assert(0); } lz1 = qz * ki; lz2 = rz * ki; d1[0] = x1[1] * exp(EIGN[0] * lz1); d2[0] = x2[1] * exp(EIGN[0] * lz2); d1[1] = x1[2] * exp(EIGN[1] * lz1); d2[1] = x2[2] * exp(EIGN[1] * lz2); d1[2] = x1[3] * exp(EIGN[2] * lz1); d2[2] = x2[3] * exp(EIGN[2] * lz2); ump_x1_0 = d1[0] * EI[0]; ump_x1_0 += d1[1] * EI[1]; ump_x1_0 += d1[2] * EI[2]; ump_x1_0 += x1[0]; ump_x1_1 = d1[0] * EI[3]; ump_x1_1 += d1[1] * EI[4]; ump_x1_1 += d1[2] * EI[5]; ump_x1_1 += x1[0]; ump_x1_2 = d1[0] * EI[6]; ump_x1_2 += d1[1] * EI[7]; ump_x1_2 += d1[2] * EI[8]; ump_x1_2 += x1[0]; ump_x1_3 = d1[0] * EI[9]; ump_x1_3 += d1[1] * EI[10]; ump_x1_3 += d1[2] * EI[11]; ump_x1_3 += x1[0]; ump_x2_0 = d2[0] * EI[0]; ump_x2_0 += d2[1] * EI[1]; ump_x2_0 += d2[2] * EI[2]; ump_x2_0 += x2[0]; ump_x2_1 = d2[0] * EI[3]; ump_x2_1 += d2[1] * EI[4]; ump_x2_1 += d2[2] * EI[5]; ump_x2_1 += x2[0]; ump_x2_2 = d2[0] * EI[6]; ump_x2_2 += d2[1] * EI[7]; ump_x2_2 += d2[2] * EI[8]; ump_x2_2 += x2[0]; ump_x2_3 = d2[0] * EI[9]; ump_x2_3 += d2[1] * EI[10]; ump_x2_3 += d2[2] * EI[11]; ump_x2_3 += x2[0]; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; if (x3[0] < minlikelihood && x3[0] > minusminlikelihood && x3[1] < minlikelihood && x3[1] > minusminlikelihood && x3[2] < minlikelihood && x3[2] > minusminlikelihood && x3[3] < minlikelihood && x3[3] > minusminlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; eVector[ex3] += 1; } return; } static double evaluatePartialGTRCAT(int i, double ki, int counter, traversalInfo *ti, double qz, int w, double *EIGN, double *EI, double *EV, double *tipVector, char **yVector, int branchReference, int mxtips) { double lz, term; double d[3]; double *x1, *x2; int scale, k; double *lVector = (double *)malloc(sizeof(double) * 4 * mxtips); int *eVector = (int *)malloc(sizeof(int) * mxtips); traversalInfo *trav = &ti[0]; assert(isTip(trav->pNumber, mxtips)); x1 = &(tipVector[4 * yVector[trav->pNumber][i]]); for(k = 1; k < counter; k++) computeVectorGTRCAT(lVector, eVector, ki, i, ti[k].qz[branchReference], ti[k].rz[branchReference], &ti[k], EIGN, EI, EV, tipVector, yVector, mxtips); x2 = &lVector[4 * (trav->qNumber - mxtips)]; scale = eVector[trav->qNumber - mxtips]; assert(0 <= (trav->qNumber - mxtips) && (trav->qNumber - mxtips) < mxtips); if(qz < zmin) lz = zmin; lz = log(qz); lz *= ki; d[0] = exp (EIGN[0] * lz); d[1] = exp (EIGN[1] * lz); d[2] = exp (EIGN[2] * lz); term = x1[0] * x2[0]; term += x1[1] * x2[1] * d[0]; term += x1[2] * x2[2] * d[1]; term += x1[3] * x2[3] * d[2]; term = log(term) + (scale * log(minlikelihood)); term = term * w; free(lVector); free(eVector); return term; } static double evaluatePartialGTRCATPROT(int i, double ki, int counter, traversalInfo *ti, double qz, int w, double *EIGN, double *EI, double *EV, double *tipVector, char **yVector, int branchReference, int mxtips) { double lz, term, *left, *right; double *ds, d[19]; double *x1, *x2; int scale, k; double *lVector = (double *)malloc(sizeof(double) * 20 * mxtips); int *eVector = (int *)malloc(sizeof(int) * mxtips); traversalInfo *trav = &ti[0]; ds = d; assert(isTip(trav->pNumber, mxtips)); x1 = &(tipVector[20 * yVector[trav->pNumber][i]]); for(k = 1; k < counter; k++) computeVectorGTRCATPROT(lVector, eVector, ki, i, ti[k].qz[branchReference], ti[k].rz[branchReference], &ti[k], EIGN, EI, EV, tipVector, yVector, mxtips); x2 = &lVector[20 * (trav->qNumber - mxtips)]; scale = eVector[trav->qNumber - mxtips]; assert(0 <= (trav->qNumber - mxtips) && (trav->qNumber - mxtips) < mxtips); if(qz < zmin) lz = zmin; lz = log(qz); lz *= ki; d[0] = exp (EIGN[0] * lz); d[1] = exp (EIGN[1] * lz); d[2] = exp (EIGN[2] * lz); d[3] = exp (EIGN[3] * lz); d[4] = exp (EIGN[4] * lz); d[5] = exp (EIGN[5] * lz); d[6] = exp (EIGN[6] * lz); d[7] = exp (EIGN[7] * lz); d[8] = exp (EIGN[8] * lz); d[9] = exp (EIGN[9] * lz); d[10] = exp (EIGN[10] * lz); d[11] = exp (EIGN[11] * lz); d[12] = exp (EIGN[12] * lz); d[13] = exp (EIGN[13] * lz); d[14] = exp (EIGN[14] * lz); d[15] = exp (EIGN[15] * lz); d[16] = exp (EIGN[16] * lz); d[17] = exp (EIGN[17] * lz); d[18] = exp (EIGN[18] * lz); left = x1; right = x2; term = *left++ * *right++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term += *left++ * *right++ * *ds++; term = log(term) + (scale * log(minlikelihood)); term = term * w; free(lVector); free(eVector); return term; } /*********************************************************************************************/ void computeFullTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int numBranches) { if(isTip(p->number, maxTips)) return; { int i; nodeptr q = p->next->back; nodeptr r = p->next->next->back; /* set xnode info at this point */ p->x = 1; p->next->x = 0; p->next->next->x = 0; if(isTip(r->number, maxTips) && isTip(q->number, maxTips)) { ti[*counter].tipCase = TIP_TIP; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; for(i = 0; i < numBranches; i++) { double z; z = q->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[i] = z; z = r->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[i] = z; } *counter = *counter + 1; } else { if(isTip(r->number, maxTips) || isTip(q->number, maxTips)) { nodeptr tmp; if(isTip(r->number, maxTips)) { tmp = r; r = q; q = tmp; } computeFullTraversalInfo(r, ti, counter, maxTips, numBranches); ti[*counter].tipCase = TIP_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; for(i = 0; i < numBranches; i++) { double z; z = q->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[i] = z; z = r->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[i] = z; } *counter = *counter + 1; } else { computeFullTraversalInfo(q, ti, counter, maxTips, numBranches); computeFullTraversalInfo(r, ti, counter, maxTips, numBranches); ti[*counter].tipCase = INNER_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; for(i = 0; i < numBranches; i++) { double z; z = q->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[i] = z; z = r->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[i] = z; } *counter = *counter + 1; } } } } void determineFullTraversal(nodeptr p, tree *tr) { nodeptr q = p->back; int k; tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(k = 0; k < tr->numBranches; k++) tr->td[0].ti[0].qz[k] = q->z[k]; assert(isTip(p->number, tr->rdta->numsp)); tr->td[0].count = 1; computeFullTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); computeFullTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); } #ifdef _MULTI_GENE void computeFullMultiTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int model) { if(isTip(p->number, maxTips)) return; { /* set xnode info at this point */ /*p->x = 1; p->next->x = 0; p->next->next->x = 0; */ if(p->backs[model]) { nodeptr q = p->next->backs[model]; nodeptr r = p->next->next->backs[model]; assert(p == p->next->next->next); p->xs[model] = 1; p->next->xs[model] = 0; p->next->next->xs[model] = 0; if(isTip(r->number, maxTips) && isTip(q->number, maxTips)) { ti[*counter].tipCase = TIP_TIP; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; { double z; z = q->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[model] = z; z = r->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[model] = z; } *counter = *counter + 1; } else { if(isTip(r->number, maxTips) || isTip(q->number, maxTips)) { nodeptr tmp; if(isTip(r->number, maxTips)) { tmp = r; r = q; q = tmp; } computeFullMultiTraversalInfo(r, ti, counter, maxTips, model); ti[*counter].tipCase = TIP_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; { double z; z = q->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[model] = z; z = r->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[model] = z; } *counter = *counter + 1; } else { computeFullMultiTraversalInfo(q, ti, counter, maxTips, model); computeFullMultiTraversalInfo(r, ti, counter, maxTips, model); ti[*counter].tipCase = INNER_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; { double z; z = q->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[model] = z; z = r->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[model] = z; } *counter = *counter + 1; } } } else { p->xs[model] = 0; p->next->xs[model] = 0; p->next->next->xs[model] = 0; assert(p == p->next->next->next); computeFullMultiTraversalInfo(p->next->back, ti, counter, maxTips, model); computeFullMultiTraversalInfo(p->next->next->back, ti, counter, maxTips, model); } } } void determineFullMultiTraversal(tree *tr) { int model; for(model = 0; model < tr->NumberOfModels; model++) { nodeptr p = tr->startVector[model]; nodeptr q = p->backs[model]; tr->td[model].ti[0].pNumber = p->number; tr->td[model].ti[0].qNumber = q->number; tr->td[model].ti[0].qz[model] = q->z[model]; assert(isTip(p->number, tr->rdta->numsp)); tr->td[model].count = 1; computeFullMultiTraversalInfo(q, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); computeFullMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); /*printf("%d %d\n", model, tr->td[model].count);*/ } } #endif #ifdef _LOCAL_DATA double evaluatePartialGeneric (tree *localTree, int i, double ki) { double result; int model, branchReference; model = localTree->strided_model[i]; if(localTree->multiBranch) branchReference = model; else branchReference = 0; if(localTree->mixedData) { assert(0); /*switch(tr->partitionData[model].dataType) { case DNA_DATA: result = evaluatePartialGTRCAT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[branchReference], tr->cdta->aliaswgt[i], &(tr->EIGN_DNA[model * 3]), &(tr->EI_DNA[model * 12]), &(tr->EV_DNA[model * 16]), &(tr->tipVectorDNA[model * 64]), tr->yVector, branchReference, tr->mxtips); break; case AA_DATA: result = evaluatePartialGTRCATPROT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[branchReference], tr->cdta->aliaswgt[i], &(tr->EIGN_AA[model * 19]), &(tr->EI_AA[model * 380]), &(tr->EV_AA[model * 400]), &(tr->tipVectorAA[model * 460]), tr->yVector, branchReference, tr->mxtips); break; default: assert(0); } */ } else { switch(localTree->likelihoodFunction) { case GTRCAT: result = evaluatePartialGTRCAT(i, ki, localTree->td[0].count, localTree->td[0].ti, localTree->td[0].ti[0].qz[0], localTree->strided_aliaswgt[i], &(localTree->EIGN_DNA[0]), &(localTree->EI_DNA[0]), &(localTree->EV_DNA[0]), &(localTree->tipVectorDNA[0]), localTree->strided_yVector, 0, localTree->mxtips); break; case GTRCATMULT: result = evaluatePartialGTRCAT(i, ki, localTree->td[0].count, localTree->td[0].ti, localTree->td[0].ti[0].qz[branchReference], localTree->strided_aliaswgt[i], &(localTree->EIGN_DNA[model * 3]), &(localTree->EI_DNA[model * 12]), &(localTree->EV_DNA[model * 16]), &(localTree->tipVectorDNA[model * 64]), localTree->strided_yVector, branchReference, localTree->mxtips); break; case PROTCAT: result = evaluatePartialGTRCATPROT(i, ki, localTree->td[0].count, localTree->td[0].ti, localTree->td[0].ti[0].qz[0], localTree->strided_aliaswgt[i], &(localTree->EIGN_AA[0]), &(localTree->EI_AA[0]), &(localTree->EV_AA[0]), &(localTree->tipVectorAA[0]), localTree->strided_yVector, 0, localTree->mxtips); break; case PROTCATMULT: result = evaluatePartialGTRCATPROT(i, ki, localTree->td[0].count, localTree->td[0].ti, localTree->td[0].ti[0].qz[branchReference], localTree->strided_aliaswgt[i], &(localTree->EIGN_AA[model * 19]), &(localTree->EI_AA[model * 380]), &(localTree->EV_AA[model * 400]), &(localTree->tipVectorAA[model * 460]), localTree->strided_yVector, branchReference, localTree->mxtips); break; default: assert(0); } } return result; } #else double evaluatePartialGeneric (tree *tr, int i, double ki) { double result; int model, branchReference; model = tr->model[i]; if(tr->multiBranch) branchReference = model; else branchReference = 0; if(tr->mixedData) { switch(tr->partitionData[model].dataType) { case DNA_DATA: result = evaluatePartialGTRCAT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[branchReference], tr->cdta->aliaswgt[i], &(tr->EIGN_DNA[model * 3]), &(tr->EI_DNA[model * 12]), &(tr->EV_DNA[model * 16]), &(tr->tipVectorDNA[model * 64]), tr->yVector, branchReference, tr->mxtips); break; case AA_DATA: result = evaluatePartialGTRCATPROT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[branchReference], tr->cdta->aliaswgt[i], &(tr->EIGN_AA[model * 19]), &(tr->EI_AA[model * 380]), &(tr->EV_AA[model * 400]), &(tr->tipVectorAA[model * 460]), tr->yVector, branchReference, tr->mxtips); break; default: assert(0); } } else { switch(tr->likelihoodFunction) { case GTRCAT: result = evaluatePartialGTRCAT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[0], tr->cdta->aliaswgt[i], &(tr->EIGN_DNA[0]), &(tr->EI_DNA[0]), &(tr->EV_DNA[0]), &(tr->tipVectorDNA[0]), tr->yVector, 0, tr->mxtips); break; case GTRCATMULT: result = evaluatePartialGTRCAT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[branchReference], tr->cdta->aliaswgt[i], &(tr->EIGN_DNA[model * 3]), &(tr->EI_DNA[model * 12]), &(tr->EV_DNA[model * 16]), &(tr->tipVectorDNA[model * 64]), tr->yVector, branchReference, tr->mxtips); break; case PROTCAT: result = evaluatePartialGTRCATPROT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[0], tr->cdta->aliaswgt[i], &(tr->EIGN_AA[0]), &(tr->EI_AA[0]), &(tr->EV_AA[0]), &(tr->tipVectorAA[0]), tr->yVector, 0, tr->mxtips); break; case PROTCATMULT: result = evaluatePartialGTRCATPROT(i, ki, tr->td[0].count, tr->td[0].ti, tr->td[0].ti[0].qz[branchReference], tr->cdta->aliaswgt[i], &(tr->EIGN_AA[model * 19]), &(tr->EI_AA[model * 380]), &(tr->EV_AA[model * 400]), &(tr->tipVectorAA[model * 460]), tr->yVector, branchReference, tr->mxtips); break; default: assert(0); } } return result; } #endif ./arbsrc_9167/GDE/RAxML/globalVariables.h0000644012664100000130000000620611213220010017705 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifdef PARALLEL int numOfWorkers; #endif int processID; infoList iList; FILE *INFILE; int Thorough = 0; char run_id[128] = "", workdir[1024] = "", seq_file[1024] = "", tree_file[1024]="", weightFileName[1024] = "", modelFileName[1024] = "", excludeFileName[1024] = "", bootStrapFile[1024] = "", permFileName[1024] = "", resultFileName[1024] = "", logFileName[1024] = "", checkpointFileName[1024] = "", infoFileName[1024] = "", randomFileName[1024] = "", bootstrapFileName[1024] = "", bipartitionsFileName[1024] = "", ratesFileName[1024] = "", perSiteLLsFileName[1024] = "", lengthFileName[1024] = "", lengthFileNameModel[1024] = "", proteinModelFileName[1024] = ""; char *likelihood_key = "likelihood", *ntaxa_key = "ntaxa", *smoothed_key = "smoothed"; char inverseMeaningDNA[16] = {'_', 'A', 'C', 'M', 'G', 'R', 'S', 'V', 'T', 'W', 'Y', 'H', 'K', 'D', 'B', '-'}; char inverseMeaningPROT[23] = {'A','R', 'N', 'D', 'C', 'Q', 'E', 'G', 'H', 'I', 'L', 'K', 'M', 'F', 'P', 'S', 'T', 'W', 'Y', 'V', 'B', 'Z', '-'}; double masterTime; const int protTipParsimonyValue[23] = {1 /* A*/, 2 /*R*/, 4/*N*/, 8/*D*/, 16/*C*/, 32/*Q*/, 64/*E*/, 128/*G*/, 256/*H*/, 512 /*I*/, 1024/*L*/, 2048/*K*/, 4096/*M*/, 8192 /*F*/, 16384/*P*/, 32768 /*S*/, 65535 /* T*/, 131072 /*W*/, 262144/*Y*/, 524288 /*V*/, 12 /* N & D */, 96 /*Q & E*/, 1048575}; int partCount = 0; int optimizeRatesInvocations = 1; int optimizeRateCategoryInvocations = 1; int optimizeAlphaInvocations = 1; int optimizeInvarInvocations = 1; #ifdef _USE_PTHREADS volatile int jobCycle; volatile int threadJob; volatile int NumberOfThreads; volatile double *reductionBuffer; volatile double *reductionBufferTwo; volatile int *reductionBufferParsimony; volatile int *barrierBuffer; #endif ./arbsrc_9167/GDE/RAxML/Makefile0000644012664100000130000000511011213220010016074 0ustar arb_buildcoders# Makefile August 2006 by Alexandros Stamatakis # Modified for compilation in ARB, Harald Meier 2008-01-21 .SUFFIXES: .o .c .h .depend RAXML_OBJECTS = axml.o raxmlParsimony.o rev_functions.o optimizeModel.o multiple.o searchAlgo.o topologies.o parsePartitions.o treeIO.o models.o bipartitionList.o rapidBootstrap.o evaluatePartialGeneric.o evaluateGeneric.o newviewGeneric.o makenewzGeneric.o evaluateGenericVector.o categorizeGeneric.o OBJECTS = $(RAXML_OBJECTS) RM = rm -f GLOBAL_DEPS = axml.h globalVariables.h CFLAGS_RAXML = -fomit-frame-pointer -funroll-loops #-Wall -pedantic -Wunused-parameter -Wredundant-decls -Wreturn-type -Wswitch-default -Wunused-value -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wimport -pedantic-errors -Wunused -Wunused-function -Wunused-label -Wno-int-to-pointer-cast -Wbad-function-cast -Wmissing-declarations -Wmissing-prototypes -Wnested-externs -Wold-style-definition -Wstrict-prototypes -Wdeclaration-after-statement -Wpointer-sign -Wextra -Wmissing-noreturn -Wredundant-decls -Wunused -Wunused-function -Wunused-parameter -Wunused-value -Wunused-variable # ---------------------------------------- # normal compilation: ifndef ARB CC = gcc CFLAGS = -O3 $(CFLAGS_RAXML) TARGET = . MAIN = $(EXE) #-xO5 # -pg LDFLAGS = -lm # ---------------------------------------- # compile for ARB: else CC = $(ACC) TARGET = $(ARBHOME)/bin LDFLAGS = -lm CFLAGS = $(cflags) $(CFLAGS_RAXML) $(MAIN) : all endif TARGETS = $(TARGET)/raxmlHPC all : $(TARGETS) $(TARGET)/raxmlHPC : $(RAXML_OBJECTS) $(GLOBAL_DEPS) $(CC) $(CFLAGS) -o $(TARGET)/raxmlHPC $(RAXML_OBJECTS) $(LDFLAGS) .c.o: $(CC) $(CFLAGS) -c -o $@ $< clean : $(RM) $(OBJECTS) $(TARGETS) DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl axml.o: axml.h axml.o: globalVariables.h bipartitionList.o: axml.h categorizeGeneric.o: axml.h evaluateGeneric.o: axml.h evaluateGenericVector.o: axml.h evaluatePartialGeneric.o: axml.h makenewzGeneric.o: axml.h models.o: axml.h multiple.o: axml.h newviewGeneric.o: axml.h optimizeModel.o: axml.h parsePartitions.o: axml.h rapidBootstrap.o: axml.h raxmlParsimony.o: axml.h rev_functions.o: axml.h searchAlgo.o: axml.h topologies.o: axml.h treeIO.o: axml.h ./arbsrc_9167/GDE/RAxML/Makefile.gcc0000644012664100000130000000432311213220010016634 0ustar arb_buildcoders# Makefile August 2006 by Alexandros Stamatakis # Makefile cleanup October 2006, Courtesy of Peter Cordes CC = gcc CFLAGS = -O3 -fomit-frame-pointer -funroll-loops #-Wall -pedantic -Wunused-parameter -Wredundant-decls -Wreturn-type -Wswitch-default -Wunused-value -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wimport -pedantic-errors -Wunused -Wunused-function -Wunused-label -Wno-int-to-pointer-cast -Wbad-function-cast -Wmissing-declarations -Wmissing-prototypes -Wnested-externs -Wold-style-definition -Wstrict-prototypes -Wdeclaration-after-statement -Wpointer-sign -Wextra -Wmissing-noreturn -Wredundant-decls -Wunused -Wunused-function -Wunused-parameter -Wunused-value -Wunused-variable LIBRARIES = -lm RM = rm -f objs = axml.o raxmlParsimony.o rev_functions.o optimizeModel.o multiple.o searchAlgo.o topologies.o parsePartitions.o treeIO.o models.o bipartitionList.o rapidBootstrap.o evaluatePartialGeneric.o evaluateGeneric.o newviewGeneric.o makenewzGeneric.o evaluateGenericVector.o categorizeGeneric.o all : raxmlHPC GLOBAL_DEPS = axml.h globalVariables.h raxmlHPC : $(objs) $(CC) -o raxmlHPC $(objs) $(LIBRARIES) # Optimization flag -O3 will yield an erroneous code for rev_functions ! rev_functions.o : rev_functions.c $(GLOBAL_DEPS) $(CC) -c -o $@ $< evaluatePartialGeneric.o : evaluatePartialGeneric.c $(GLOBAL_DEPS) bipartitionList.o : bipartitionList.c $(GLOBAL_DEPS) optimizeModel.o : optimizeModel.c $(GLOBAL_DEPS) multiple.o : multiple.c $(GLOBAL_DEPS) axml.o : axml.c $(GLOBAL_DEPS) raxmlParsimony.o : raxmlParsimony.c $(GLOBAL_DEPS) searchAlgo.o : searchAlgo.c $(GLOBAL_DEPS) topologies.o : topologies.c $(GLOBAL_DEPS) parsePartitions.o : parsePartitions.c $(GLOBAL_DEPS) treeIO.o : treeIO.c $(GLOBAL_DEPS) models.o : models.c $(GLOBAL_DEPS) rapidBootstrap.o : rapidBootstrap.c $(GLOBAL_DEPS) #evaluatePartialGeneric.o : evaluatePartialGeneric.c $(GLOBAL_DEPS) evaluateGeneric.o : evaluateGeneric.c $(GLOBAL_DEPS) newviewGeneric.o : newviewGeneric.c $(GLOBAL_DEPS) makenewzGeneric.o : makenewzGeneric.c $(GLOBAL_DEPS) evaluateGenericVector.o : evaluateGenericVector.c $(GLOBAL_DEPS) categorizeGeneric.o : categorizeGeneric.c $(GLOBAL_DEPS) clean : $(RM) *.o raxmlHPC ./arbsrc_9167/GDE/RAxML/Makefile.MPI0000644012664100000130000000331511213220010016525 0ustar arb_buildcoders# Makefile August 2006 by Alexandros Stamatakis # Makefile cleanup October 2006, Courtesy of Peter Cordes CC = mpicc CFLAGS = -O3 -DPARALLEL -fomit-frame-pointer -funroll-loops #-Wall LIBRARIES = -lm RM = rm -f objs = axml.o raxmlParsimony.o rev_functions.o optimizeModel.o multiple.o searchAlgo.o topologies.o parsePartitions.o treeIO.o models.o bipartitionList.o rapidBootstrap.o evaluatePartialGeneric.o evaluateGeneric.o newviewGeneric.o makenewzGeneric.o evaluateGenericVector.o categorizeGeneric.o all : raxmlHPC-MPI GLOBAL_DEPS = axml.h globalVariables.h raxmlHPC-MPI : $(objs) $(CC) -o raxmlHPC-MPI $(objs) $(LIBRARIES) # Optimization flag -O3 will yield an erroneous code for rev_functions ! rev_functions.o : rev_functions.c $(GLOBAL_DEPS) $(CC) -c -o $@ $< evaluatePartialGeneric.o : evaluatePartialGeneric.c $(GLOBAL_DEPS) bipartitionList.o : bipartitionList.c $(GLOBAL_DEPS) optimizeModel.o : optimizeModel.c $(GLOBAL_DEPS) multiple.o : multiple.c $(GLOBAL_DEPS) axml.o : axml.c $(GLOBAL_DEPS) raxmlParsimony.o : raxmlParsimony.c $(GLOBAL_DEPS) searchAlgo.o : searchAlgo.c $(GLOBAL_DEPS) topologies.o : topologies.c $(GLOBAL_DEPS) parsePartitions.o : parsePartitions.c $(GLOBAL_DEPS) treeIO.o : treeIO.c $(GLOBAL_DEPS) models.o : models.c $(GLOBAL_DEPS) rapidBootstrap.o : rapidBootstrap.c $(GLOBAL_DEPS) #evaluatePartialGeneric.o : evaluatePartialGeneric.c $(GLOBAL_DEPS) evaluateGeneric.o : evaluateGeneric.c $(GLOBAL_DEPS) newviewGeneric.o : newviewGeneric.c $(GLOBAL_DEPS) makenewzGeneric.o : makenewzGeneric.c $(GLOBAL_DEPS) evaluateGenericVector.o : evaluateGenericVector.c $(GLOBAL_DEPS) categorizeGeneric.o : categorizeGeneric.c $(GLOBAL_DEPS) clean : $(RM) *.o raxmlHPC-MPI ./arbsrc_9167/GDE/RAxML/Makefile.PTHREADS0000644012664100000130000000433311213220010017313 0ustar arb_buildcoders# Makefile August 2006 by Alexandros Stamatakis # Makefile cleanup October 2006, Courtesy of Peter Cordes CC = gcc CFLAGS = -O3 -fomit-frame-pointer -funroll-loops -D_USE_PTHREADS -D_GNU_SOURCE #-Wall -pedantic #-Wunused-parameter -Wredundant-decls -Wreturn-type -Wswitch-default -Wunused-value -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wimport -pedantic-errors -Wunused -Wunused-function -Wunused-label -Wno-int-to-pointer-cast -Wbad-function-cast -Wmissing-declarations -Wmissing-prototypes -Wnested-externs -Wold-style-definition -Wstrict-prototypes -Wdeclaration-after-statement -Wpointer-sign -Wextra -Wmissing-noreturn -Wredundant-decls -Wunused -Wunused-function -Wunused-parameter -Wunused-value -Wunused-variable LIBRARIES = -lm -pthread RM = rm -f objs = axml.o raxmlParsimony.o rev_functions.o optimizeModel.o multiple.o searchAlgo.o topologies.o parsePartitions.o treeIO.o models.o bipartitionList.o rapidBootstrap.o evaluatePartialGeneric.o evaluateGeneric.o newviewGeneric.o makenewzGeneric.o evaluateGenericVector.o categorizeGeneric.o all : raxmlHPC-PTHREADS GLOBAL_DEPS = axml.h globalVariables.h raxmlHPC-PTHREADS : $(objs) $(CC) -o raxmlHPC-PTHREADS $(objs) $(LIBRARIES) # Optimization flag -O3 will yield an erroneous code for rev_functions ! rev_functions.o : rev_functions.c $(GLOBAL_DEPS) $(CC) -c -o $@ $< bipartitionList.o : bipartitionList.c $(GLOBAL_DEPS) optimizeModel.o : optimizeModel.c $(GLOBAL_DEPS) multiple.o : multiple.c $(GLOBAL_DEPS) axml.o : axml.c $(GLOBAL_DEPS) raxmlParsimony.o : raxmlParsimony.c $(GLOBAL_DEPS) searchAlgo.o : searchAlgo.c $(GLOBAL_DEPS) topologies.o : topologies.c $(GLOBAL_DEPS) parsePartitions.o : parsePartitions.c $(GLOBAL_DEPS) treeIO.o : treeIO.c $(GLOBAL_DEPS) models.o : models.c $(GLOBAL_DEPS) rapidBootstrap.o : rapidBootstrap.c $(GLOBAL_DEPS) evaluatePartialGeneric.o : evaluatePartialGeneric.c $(GLOBAL_DEPS) evaluateGeneric.o : evaluateGeneric.c $(GLOBAL_DEPS) newviewGeneric.o : newviewGeneric.c $(GLOBAL_DEPS) makenewzGeneric.o : makenewzGeneric.c $(GLOBAL_DEPS) evaluateGenericVector.o : evaluateGenericVector.c $(GLOBAL_DEPS) categorizeGeneric.o : categorizeGeneric.c $(GLOBAL_DEPS) clean : $(RM) *.o raxmlHPC-PTHREADS ./arbsrc_9167/GDE/RAxML/Makefile.PTHREADS.MAC0000644012664100000130000000326011213220010017710 0ustar arb_buildcoders# Makefile August 2006 by Alexandros Stamatakis # Makefile cleanup October 2006, Courtesy of Peter Cordes CC = gcc CFLAGS = -O3 -fomit-frame-pointer -funroll-loops -D_USE_PTHREADS -D_MAC #-Wall LIBRARIES = -lm -lpthread RM = rm -f objs = axml.o raxmlParsimony.o rev_functions.o optimizeModel.o multiple.o searchAlgo.o topologies.o parsePartitions.o treeIO.o models.o bipartitionList.o rapidBootstrap.o evaluatePartialGeneric.o evaluateGeneric.o newviewGeneric.o makenewzGeneric.o evaluateGenericVector.o categorizeGeneric.o all : raxmlHPC-PTHREADS GLOBAL_DEPS = axml.h globalVariables.h raxmlHPC-PTHREADS : $(objs) $(CC) -o raxmlHPC-PTHREADS $(objs) $(LIBRARIES) # Optimization flag -O3 will yield an erroneous code for rev_functions ! rev_functions.o : rev_functions.c $(GLOBAL_DEPS) $(CC) -c -o $@ $< bipartitionList.o : bipartitionList.c $(GLOBAL_DEPS) optimizeModel.o : optimizeModel.c $(GLOBAL_DEPS) multiple.o : multiple.c $(GLOBAL_DEPS) axml.o : axml.c $(GLOBAL_DEPS) raxmlParsimony.o : raxmlParsimony.c $(GLOBAL_DEPS) searchAlgo.o : searchAlgo.c $(GLOBAL_DEPS) topologies.o : topologies.c $(GLOBAL_DEPS) parsePartitions.o : parsePartitions.c $(GLOBAL_DEPS) treeIO.o : treeIO.c $(GLOBAL_DEPS) models.o : models.c $(GLOBAL_DEPS) rapidBootstrap.o : rapidBootstrap.c $(GLOBAL_DEPS) evaluatePartialGeneric.o : evaluatePartialGeneric.c $(GLOBAL_DEPS) evaluateGeneric.o : evaluateGeneric.c $(GLOBAL_DEPS) newviewGeneric.o : newviewGeneric.c $(GLOBAL_DEPS) makenewzGeneric.o : makenewzGeneric.c $(GLOBAL_DEPS) evaluateGenericVector.o : evaluateGenericVector.c $(GLOBAL_DEPS) categorizeGeneric.o : categorizeGeneric.c $(GLOBAL_DEPS) clean : $(RM) *.o raxmlHPC-PTHREADS ./arbsrc_9167/GDE/RAxML/makenewzGeneric.c0000644012664100000130000025726411213220010017741 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with * thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" #ifdef _USE_PTHREADS extern double *reductionBuffer; extern double *reductionBufferTwo; extern int NumberOfThreads; #endif /*******************/ static void sumCAT(int tipCase, double *sum, double *x1_start, double *x2_start, double *tipVector, char *tipX1, char *tipX2, int lower, int n) { int i; double *x1, *x2; switch(tipCase) { case TIP_TIP: for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &(tipVector[4 * tipX2[i]]); sum[i * 4] = x1[0] * x2[0]; sum[i * 4 + 1] = x1[1] * x2[1]; sum[i * 4 + 2] = x1[2] * x2[2]; sum[i * 4 + 3] = x1[3] * x2[3]; } break; case TIP_INNER: for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[4 * i]; sum[i * 4] = x1[0] * x2[0]; sum[i * 4 + 1] = x1[1] * x2[1]; sum[i * 4 + 2] = x1[2] * x2[2]; sum[i * 4 + 3] = x1[3] * x2[3]; } break; case INNER_INNER: for (i = lower; i < n; i++) { x1 = &x1_start[4 * i]; x2 = &x2_start[4 * i]; sum[i * 4] = x1[0] * x2[0]; sum[i * 4 + 1] = x1[1] * x2[1]; sum[i * 4 + 2] = x1[2] * x2[2]; sum[i * 4 + 3] = x1[3] * x2[3]; } break; default: assert(0); } } static void coreGTRCAT(int lower, int upper, int numberOfCategories, double *sum, double *d1, double *d2, double *wrptr, double *wr2ptr, double *rptr, double *EIGN, int *cptr, double lz) { int i; double *d, *d_start, tmp_0, tmp_1, tmp_2, inv_Li, dlnLidlz, d2lnLidlz2, dlnLdlz = 0.0, d2lnLdlz2 = 0.0; double e[6]; double dd1, dd2, dd3; e[0] = EIGN[0]; e[1] = EIGN[0] * EIGN[0]; e[2] = EIGN[1]; e[3] = EIGN[1] * EIGN[1]; e[4] = EIGN[2]; e[5] = EIGN[2] * EIGN[2]; d = d_start = (double *)malloc(numberOfCategories * 3 * sizeof(double)); dd1 = e[0] * lz; dd2 = e[2] * lz; dd3 = e[4] * lz; for(i = 0; i < numberOfCategories; i++) { *d++ = exp(dd1 * rptr[i]); *d++ = exp(dd2 * rptr[i]); *d++ = exp(dd3 * rptr[i]); } for (i = lower; i < upper; i++) { d = &d_start[3 * cptr[i]]; inv_Li = sum[4 * i]; inv_Li += (tmp_0 = d[0] * sum[4 * i + 1]); inv_Li += (tmp_1 = d[1] * sum[4 * i + 2]); inv_Li += (tmp_2 = d[2] * sum[4 * i + 3]); inv_Li = 1.0/inv_Li; dlnLidlz = tmp_0 * e[0]; d2lnLidlz2 = tmp_0 * e[1]; dlnLidlz += tmp_1 * e[2]; d2lnLidlz2 += tmp_1 * e[3]; dlnLidlz += tmp_2 * e[4]; d2lnLidlz2 += tmp_2 * e[5]; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wr2ptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *d1 = dlnLdlz; *d2 = d2lnLdlz2; free(d_start); } static void sumCATMULT(int tipCase, double *sum, double *x1_start, double *x2_start, double *tipVector, char *tipX1, char *tipX2, int *modelptr, int loopStart, int n) { double *x1, *x2; int i, model; switch(tipCase) { case TIP_TIP: for (i = loopStart; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[model * 64 + tipX1[i] * 4]); x2 = &(tipVector[model * 64 + tipX2[i] * 4]); sum[i * 4] = x1[0] * x2[0]; sum[i * 4 + 1] = x1[1] * x2[1]; sum[i * 4 + 2] = x1[2] * x2[2]; sum[i * 4 + 3] = x1[3] * x2[3]; } break; case TIP_INNER: for (i = loopStart; i < n; i++) { model = modelptr[i]; x1 = &(tipVector[model * 64 + 4 * tipX1[i]]); x2 = &x2_start[4 * i]; sum[i * 4] = x1[0] * x2[0]; sum[i * 4 + 1] = x1[1] * x2[1]; sum[i * 4 + 2] = x1[2] * x2[2]; sum[i * 4 + 3] = x1[3] * x2[3]; } break; case INNER_INNER: for (i = loopStart; i < n; i++) { x1 = &x1_start[4 * i]; x2 = &x2_start[4 * i]; sum[i * 4] = x1[0] * x2[0]; sum[i * 4 + 1] = x1[1] * x2[1]; sum[i * 4 + 2] = x1[2] * x2[2]; sum[i * 4 + 3] = x1[3] * x2[3]; } break; default: assert(0); } } static void coreGTRCATMULT(int lower, int upper, int numberOfCategories, int numberOfModels, double *sum, double *d1, double *d2, double *wrptr, double *wr2ptr, double *rptr, double *EIGN, int *cptr, int *modelptr, double lz) { int i, model; double *d, *d_start, tmp_0, tmp_1, tmp_2, inv_Li, dlnLidlz, d2lnLidlz2, dlnLdlz = 0.0, d2lnLdlz2 = 0.0; double *e1, *e2, *e3, *s1, *s2, *s3; d = d_start = (double *)malloc(numberOfModels * numberOfCategories * 3 * sizeof(double)); e1 = (double *)malloc(numberOfModels * sizeof(double)); e2 = (double *)malloc(numberOfModels * sizeof(double)); e3 = (double *)malloc(numberOfModels * sizeof(double)); s1 = (double *)malloc(numberOfModels * sizeof(double)); s2 = (double *)malloc(numberOfModels * sizeof(double)); s3 = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { double dd1, dd2, dd3; e1[model] = EIGN[model * 3] * EIGN[model * 3]; e2[model] = EIGN[model * 3 + 1] * EIGN[model * 3 + 1]; e3[model] = EIGN[model * 3 + 2] * EIGN[model * 3 + 2]; s1[model] = EIGN[model * 3]; s2[model] = EIGN[model * 3 + 1]; s3[model] = EIGN[model * 3 + 2]; dd1 = EIGN[model * 3] * lz; dd2 = EIGN[model * 3 + 1] * lz; dd3 = EIGN[model * 3 + 2] * lz; for(i = 0; i < numberOfCategories; i++) { *d++ = exp(dd1 * rptr[i]); *d++ = exp(dd2 * rptr[i]); *d++ = exp(dd3 * rptr[i]); } } for (i = lower; i < upper; i++) { model = modelptr[i]; d = &d_start[model * numberOfCategories * 3 + 3 * cptr[i]]; inv_Li = sum[4 * i]; inv_Li += (tmp_0 = d[0] * sum[4 * i + 1]); inv_Li += (tmp_1 = d[1] * sum[4 * i + 2]); inv_Li += (tmp_2 = d[2] * sum[4 * i + 3]); inv_Li = 1.0/inv_Li; dlnLidlz = tmp_0 * s1[model]; d2lnLidlz2 = tmp_0 * e1[model]; dlnLidlz += tmp_1 * s2[model]; d2lnLidlz2 += tmp_1 * e2[model]; dlnLidlz += tmp_2 * s3[model]; d2lnLidlz2 += tmp_2 * e3[model]; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wr2ptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *d1 = dlnLdlz; *d2 = d2lnLdlz2; free(d_start); free(e1); free(e2); free(e3); free(s1); free(s2); free(s3); } static void sumGTRCATPROT(int tipCase, double *sumtable, double *x1, double *x2, double *tipVector, char *tipX1, char *tipX2, int lower, int n) { int i; double *sum, *left, *right; switch(tipCase) { case TIP_TIP: for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); right = &(tipVector[20 * tipX2[i]]); sum = &sumtable[20 * i]; sum[0] = left[0] * right[0]; sum[1] = left[1] * right[1]; sum[2] = left[2] * right[2]; sum[3] = left[3] * right[3]; sum[4] = left[4] * right[4]; sum[5] = left[5] * right[5]; sum[6] = left[6] * right[6]; sum[7] = left[7] * right[7]; sum[8] = left[8] * right[8]; sum[9] = left[9] * right[9]; sum[10] = left[10] * right[10]; sum[11] = left[11] * right[11]; sum[12] = left[12] * right[12]; sum[13] = left[13] * right[13]; sum[14] = left[14] * right[14]; sum[15] = left[15] * right[15]; sum[16] = left[16] * right[16]; sum[17] = left[17] * right[17]; sum[18] = left[18] * right[18]; sum[19] = left[19] * right[19]; } break; case TIP_INNER: for (i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); right = &x2[20 * i]; sum = &sumtable[20 * i]; sum[0] = left[0] * right[0]; sum[1] = left[1] * right[1]; sum[2] = left[2] * right[2]; sum[3] = left[3] * right[3]; sum[4] = left[4] * right[4]; sum[5] = left[5] * right[5]; sum[6] = left[6] * right[6]; sum[7] = left[7] * right[7]; sum[8] = left[8] * right[8]; sum[9] = left[9] * right[9]; sum[10] = left[10] * right[10]; sum[11] = left[11] * right[11]; sum[12] = left[12] * right[12]; sum[13] = left[13] * right[13]; sum[14] = left[14] * right[14]; sum[15] = left[15] * right[15]; sum[16] = left[16] * right[16]; sum[17] = left[17] * right[17]; sum[18] = left[18] * right[18]; sum[19] = left[19] * right[19]; } break; case INNER_INNER: for (i = lower; i < n; i++) { left = &x1[20 * i]; right = &x2[20 * i]; sum = &sumtable[20 * i]; sum[0] = left[0] * right[0]; sum[1] = left[1] * right[1]; sum[2] = left[2] * right[2]; sum[3] = left[3] * right[3]; sum[4] = left[4] * right[4]; sum[5] = left[5] * right[5]; sum[6] = left[6] * right[6]; sum[7] = left[7] * right[7]; sum[8] = left[8] * right[8]; sum[9] = left[9] * right[9]; sum[10] = left[10] * right[10]; sum[11] = left[11] * right[11]; sum[12] = left[12] * right[12]; sum[13] = left[13] * right[13]; sum[14] = left[14] * right[14]; sum[15] = left[15] * right[15]; sum[16] = left[16] * right[16]; sum[17] = left[17] * right[17]; sum[18] = left[18] * right[18]; sum[19] = left[19] * right[19]; } break; default: assert(0); } } static void coreGTRCATPROT(double *EIGN, double lz, int numberOfCategories, double *rptr, int *cptr, int lower, int upper, double *wrptr, double *wr2ptr, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double *sumtable) { int i, l; double *d1, *d_start, *sum; double e[19], s[19]; double tmp; double inv_Li, dlnLidlz, d2lnLidlz2; double dd[19]; double dlnLdlz = 0.0; double d2lnLdlz2 = 0.0; for(l = 0; l < 19; l++) { e[l] = EIGN[l] * EIGN[l]; s[l] = EIGN[l]; } d1 = d_start = (double *)malloc(numberOfCategories * 19 * sizeof(double)); for(l = 0; l < 19; l++) dd[l] = s[l] * lz; for(i = 0; i < numberOfCategories; i++) { for(l = 0; l < 19; l++) *d1++ = exp(dd[l] * rptr[i]); } for (i = lower; i < upper; i++) { d1 = &d_start[19 * cptr[i]]; sum = &sumtable[20 * i]; inv_Li = sum[0]; inv_Li += (tmp = d1[0] * sum[1]); dlnLidlz = tmp * s[0]; d2lnLidlz2 = tmp * e[0]; for(l = 1; l < 19; l++) { inv_Li += (tmp = d1[l] * sum[l + 1]); dlnLidlz += tmp * s[l]; d2lnLidlz2 += tmp * e[l]; } inv_Li = 1.0/inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wr2ptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(d_start); } static void sumGTRCATPROTMULT(int tipCase, double *sumtable, double *x1, double *x2, double *tipVector, char *tipX1, char *tipX2, int *modelptr, int lower, int n) { int i, model; double *sum, *left, *right; switch(tipCase) { case TIP_TIP: for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[model * 460 + 20 * tipX1[i]]); right = &(tipVector[model * 460 + 20 * tipX2[i]]); sum = &sumtable[20 * i]; sum[0] = left[0] * right[0]; sum[1] = left[1] * right[1]; sum[2] = left[2] * right[2]; sum[3] = left[3] * right[3]; sum[4] = left[4] * right[4]; sum[5] = left[5] * right[5]; sum[6] = left[6] * right[6]; sum[7] = left[7] * right[7]; sum[8] = left[8] * right[8]; sum[9] = left[9] * right[9]; sum[10] = left[10] * right[10]; sum[11] = left[11] * right[11]; sum[12] = left[12] * right[12]; sum[13] = left[13] * right[13]; sum[14] = left[14] * right[14]; sum[15] = left[15] * right[15]; sum[16] = left[16] * right[16]; sum[17] = left[17] * right[17]; sum[18] = left[18] * right[18]; sum[19] = left[19] * right[19]; } break; case TIP_INNER: for (i = lower; i < n; i++) { model = modelptr[i]; left = &(tipVector[model * 460 + 20 * tipX1[i]]); right = &x2[20 * i]; sum = &sumtable[20 * i]; sum[0] = left[0] * right[0]; sum[1] = left[1] * right[1]; sum[2] = left[2] * right[2]; sum[3] = left[3] * right[3]; sum[4] = left[4] * right[4]; sum[5] = left[5] * right[5]; sum[6] = left[6] * right[6]; sum[7] = left[7] * right[7]; sum[8] = left[8] * right[8]; sum[9] = left[9] * right[9]; sum[10] = left[10] * right[10]; sum[11] = left[11] * right[11]; sum[12] = left[12] * right[12]; sum[13] = left[13] * right[13]; sum[14] = left[14] * right[14]; sum[15] = left[15] * right[15]; sum[16] = left[16] * right[16]; sum[17] = left[17] * right[17]; sum[18] = left[18] * right[18]; sum[19] = left[19] * right[19]; } break; case INNER_INNER: for (i = lower; i < n; i++) { left = &x1[20 * i]; right = &x2[20 * i]; sum = &sumtable[20 * i]; sum[0] = left[0] * right[0]; sum[1] = left[1] * right[1]; sum[2] = left[2] * right[2]; sum[3] = left[3] * right[3]; sum[4] = left[4] * right[4]; sum[5] = left[5] * right[5]; sum[6] = left[6] * right[6]; sum[7] = left[7] * right[7]; sum[8] = left[8] * right[8]; sum[9] = left[9] * right[9]; sum[10] = left[10] * right[10]; sum[11] = left[11] * right[11]; sum[12] = left[12] * right[12]; sum[13] = left[13] * right[13]; sum[14] = left[14] * right[14]; sum[15] = left[15] * right[15]; sum[16] = left[16] * right[16]; sum[17] = left[17] * right[17]; sum[18] = left[18] * right[18]; sum[19] = left[19] * right[19]; } break; default: assert(0); } } static void coreGTRCATPROTMULT(double *EIGN, double lz, int numberOfCategories, double *rptr, int *cptr, int lower, int upper, double *wrptr, double *wr2ptr, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double *sumtable, int numberOfModels, int *modelptr) { double *sum; int i, l; double dlnLdlz = 0.0; double d2lnLdlz2 = 0.0; double *d1, *d_start; double *e, *s, *e_start, *s_start; int model; double dd[19]; double tmp; double inv_Li, dlnLidlz, d2lnLidlz2; e = e_start = (double *)malloc(19 * numberOfModels * sizeof(double)); s = s_start = (double *)malloc(19 * numberOfModels * sizeof(double)); d1 = d_start = (double *)malloc(numberOfModels * numberOfCategories * 19 * sizeof(double)); for(model = 0; model < numberOfModels; model++) { for(l = 0; l < 19; l++) { e[model * 19 + l] = EIGN[model * 19 + l] * EIGN[model * 19 + l]; s[model * 19 + l] = EIGN[model * 19 + l]; dd[l] = s[model * 19 + l] * lz; } for(i = 0; i < numberOfCategories; i++) { for(l = 0; l < 19; l++) *d1++ = exp(dd[l] * rptr[i]); } } for (i = lower; i < upper; i++) { model = modelptr[i]; sum = &sumtable[20 * i]; d1 = &(d_start[model * numberOfCategories * 19 + 19 * cptr[i]]); e = &(e_start[model * 19]); s = &(s_start[model * 19]); inv_Li = sum[0]; inv_Li += (tmp = d1[0] * sum[1]); dlnLidlz = tmp * s[0]; d2lnLidlz2 = tmp * e[0]; for(l = 1; l < 19; l++) { inv_Li += (tmp = d1[l] * sum[l + 1]); dlnLidlz += tmp * s[l]; d2lnLidlz2 += tmp * e[l]; } inv_Li = 1.0/inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wr2ptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(d_start); free(s_start); free(e_start); } static void coreGTRGAMMAINVAR(double *invariants, double *frequencies, double *gammaRates, double *EIGN, double *sumtable, double *ext_dlnLdlz, double *ext_d2lnLdlz2, int *iptr, int *wrptr, int lower, int upper, double lz) { double *sum, *diagptable, *diagptable_start; int i; double dlnLdlz = 0; double d2lnLdlz2 = 0; double ki, kisqr; double freqs[4]; double scaler = 0.25 * (1.0 - invariants[0]); double tmp_1, tmp_2, tmp_3; double inv_Li, dlnLidlz, d2lnLidlz2; freqs[0] = frequencies[0] * invariants[0]; freqs[1] = frequencies[1] * invariants[0]; freqs[2] = frequencies[2] * invariants[0]; freqs[3] = frequencies[3] * invariants[0]; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 36); for(i = 0; i < 4; i++) { ki = gammaRates[i]; kisqr = ki * ki; *diagptable++ = exp (EIGN[0] * ki * lz); *diagptable++ = exp (EIGN[1] * ki * lz); *diagptable++ = exp (EIGN[2] * ki * lz); *diagptable++ = EIGN[0] * ki; *diagptable++ = EIGN[0] * EIGN[0] * kisqr; *diagptable++ = EIGN[1] * ki; *diagptable++ = EIGN[1] * EIGN[1] * kisqr; *diagptable++ = EIGN[2] * ki; *diagptable++ = EIGN[2] * EIGN[2] * kisqr; } for (i = lower; i < upper; i++) { diagptable = diagptable_start; sum = &(sumtable[i * 16]); inv_Li = *sum++; inv_Li += (tmp_1 = *diagptable++ * *sum++); inv_Li += (tmp_2 = *diagptable++ * *sum++); inv_Li += (tmp_3 = *diagptable++ * *sum++); dlnLidlz = tmp_1 * *diagptable++; d2lnLidlz2 = tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; /* end */ inv_Li *= scaler; if(iptr[i] < 4) inv_Li += freqs[iptr[i]]; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLidlz *= scaler; d2lnLidlz2 *= scaler; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); } static void sumGAMMA(int tipCase, double *sumtable, double *x1_start, double *x2_start, double *tipVector, char *tipX1, char *tipX2, int lower, int n) { double *x1, *x2, *sum; int i; switch(tipCase) { case TIP_TIP: #pragma omp parallel for private(x1, x2, sum) for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &(tipVector[4 * tipX2[i]]); sum = &sumtable[i * 16]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[0]; sum[5] = x1[1] * x2[1]; sum[6] = x1[2] * x2[2]; sum[7] = x1[3] * x2[3]; sum[8] = x1[0] * x2[0]; sum[9] = x1[1] * x2[1]; sum[10] = x1[2] * x2[2]; sum[11] = x1[3] * x2[3]; sum[12] = x1[0] * x2[0]; sum[13] = x1[1] * x2[1]; sum[14] = x1[2] * x2[2]; sum[15] = x1[3] * x2[3]; } break; case TIP_INNER: #pragma omp parallel for private(x1, x2, sum) for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[4]; sum[5] = x1[1] * x2[5]; sum[6] = x1[2] * x2[6]; sum[7] = x1[3] * x2[7]; sum[8] = x1[0] * x2[8]; sum[9] = x1[1] * x2[9]; sum[10] = x1[2] * x2[10]; sum[11] = x1[3] * x2[11]; sum[12] = x1[0] * x2[12]; sum[13] = x1[1] * x2[13]; sum[14] = x1[2] * x2[14]; sum[15] = x1[3] * x2[15]; } break; case INNER_INNER: #pragma omp parallel for private(x1, x2, sum) for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[4] * x2[4]; sum[5] = x1[5] * x2[5]; sum[6] = x1[6] * x2[6]; sum[7] = x1[7] * x2[7]; sum[8] = x1[8] * x2[8]; sum[9] = x1[9] * x2[9]; sum[10] = x1[10] * x2[10]; sum[11] = x1[11] * x2[11]; sum[12] = x1[12] * x2[12]; sum[13] = x1[13] * x2[13]; sum[14] = x1[14] * x2[14]; sum[15] = x1[15] * x2[15]; } break; default: assert(0); } } static void coreGTRGAMMA(int lower, int upper, double *sumtable, double *d1, double *d2, double *EIGN, double *gammaRates, double lz, int *wrptr) { int i; double *diagptable, *diagptable_start, *sum, tmp_1, tmp_2, tmp_3, inv_Li, dlnLidlz, d2lnLidlz2, ki, kisqr, dlnLdlz = 0.0, d2lnLdlz2 = 0.0; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 36); for(i = 0; i < 4; i++) { ki = gammaRates[i]; kisqr = ki * ki; *diagptable++ = exp (EIGN[0] * ki * lz); *diagptable++ = exp (EIGN[1] * ki * lz); *diagptable++ = exp (EIGN[2] * ki * lz); *diagptable++ = EIGN[0] * ki; *diagptable++ = EIGN[0] * EIGN[0] * kisqr; *diagptable++ = EIGN[1] * ki; *diagptable++ = EIGN[1] * EIGN[1] * kisqr; *diagptable++ = EIGN[2] * ki; *diagptable++ = EIGN[2] * EIGN[2] * kisqr; } #pragma omp parallel for private(diagptable, sum, inv_Li, tmp_1, tmp_2, tmp_3, dlnLidlz, d2lnLidlz2) reduction(+ : dlnLdlz) reduction( + : d2lnLdlz2) for (i = lower; i < upper; i++) { diagptable = diagptable_start; sum = &(sumtable[i * 16]); inv_Li = *sum++; inv_Li += (tmp_1 = *diagptable++ * *sum++); inv_Li += (tmp_2 = *diagptable++ * *sum++); inv_Li += (tmp_3 = *diagptable++ * *sum++); dlnLidlz = tmp_1 * *diagptable++; d2lnLidlz2 = tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *d1 = dlnLdlz; *d2 = d2lnLdlz2; free(diagptable_start); } /*************************************************************************************/ static void sumGAMMAMULT(int tipCase, double *sumtable, double *x1_start, double *x2_start, double *tipVector, char *tipX1, char *tipX2, int *modelptr, int lower, int n) { double *x1, *x2, *sum; int i; switch(tipCase) { case TIP_TIP: for (i = lower; i < n; i++) { x1 = &(tipVector[64 * modelptr[i] + 4 * tipX1[i]]); x2 = &(tipVector[64 * modelptr[i] + 4 * tipX2[i]]); sum = &sumtable[i * 16]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[0]; sum[5] = x1[1] * x2[1]; sum[6] = x1[2] * x2[2]; sum[7] = x1[3] * x2[3]; sum[8] = x1[0] * x2[0]; sum[9] = x1[1] * x2[1]; sum[10] = x1[2] * x2[2]; sum[11] = x1[3] * x2[3]; sum[12] = x1[0] * x2[0]; sum[13] = x1[1] * x2[1]; sum[14] = x1[2] * x2[2]; sum[15] = x1[3] * x2[3]; } break; case TIP_INNER: for (i = lower; i < n; i++) { x1 = &(tipVector[64 * modelptr[i] + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[4]; sum[5] = x1[1] * x2[5]; sum[6] = x1[2] * x2[6]; sum[7] = x1[3] * x2[7]; sum[8] = x1[0] * x2[8]; sum[9] = x1[1] * x2[9]; sum[10] = x1[2] * x2[10]; sum[11] = x1[3] * x2[11]; sum[12] = x1[0] * x2[12]; sum[13] = x1[1] * x2[13]; sum[14] = x1[2] * x2[14]; sum[15] = x1[3] * x2[15]; } break; case INNER_INNER: for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[4] * x2[4]; sum[5] = x1[5] * x2[5]; sum[6] = x1[6] * x2[6]; sum[7] = x1[7] * x2[7]; sum[8] = x1[8] * x2[8]; sum[9] = x1[9] * x2[9]; sum[10] = x1[10] * x2[10]; sum[11] = x1[11] * x2[11]; sum[12] = x1[12] * x2[12]; sum[13] = x1[13] * x2[13]; sum[14] = x1[14] * x2[14]; sum[15] = x1[15] * x2[15]; } break; default: assert(0); } } static void coreGTRGAMMAMULT(int lower, int upper, double *sumtable, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double *EIGN, double *gammaRates, double lz, int *wrptr, int numberOfModels, int *modelptr) { double *sum, *diagptable, *diagptable_start; int i; double dlnLdlz = 0; double d2lnLdlz2 = 0; double tmp_1, tmp_2, tmp_3; double inv_Li, dlnLidlz, d2lnLidlz2; double ki, kisqr; int model; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 36 * numberOfModels); for(model = 0; model < numberOfModels; model++) { diagptable = &diagptable_start[model * 36]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; kisqr = ki * ki; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); *diagptable++ = EIGN[model * 3] * ki; *diagptable++ = EIGN[model * 3] * EIGN[model * 3] * kisqr; *diagptable++ = EIGN[model * 3 + 1] * ki; *diagptable++ = EIGN[model * 3 + 1] * EIGN[model * 3 + 1] * kisqr; *diagptable++ = EIGN[model * 3 + 2] * ki; *diagptable++ = EIGN[model * 3 + 2] * EIGN[model * 3 + 2] * kisqr; } } for (i = lower; i < upper; i++) { diagptable = &diagptable_start[36 * modelptr[i]]; sum = &(sumtable[i * 16]); inv_Li = *sum++; inv_Li += (tmp_1 = *diagptable++ * *sum++); inv_Li += (tmp_2 = *diagptable++ * *sum++); inv_Li += (tmp_3 = *diagptable++ * *sum++); dlnLidlz = tmp_1 * *diagptable++; d2lnLidlz2 = tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); } static void coreGTRGAMMAMULTINVAR(int lower, int upper, double *sumtable, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double *EIGN, double *gammaRates, double lz, int *wrptr, int numberOfModels, int *modelptr, double *frequencies, double *invariants, int *iptr) { double *sum, *diagptable, *diagptable_start; int i; double dlnLdlz = 0; double d2lnLdlz2 = 0; double ki, kisqr; int model; double *scalers; double *freqs; double tmp_1, tmp_2, tmp_3; double inv_Li, dlnLidlz, d2lnLidlz2; diagptable_start = (double *)malloc(sizeof(double) * 36 * numberOfModels); freqs = (double *)malloc(4 * numberOfModels * sizeof(double)); scalers = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { scalers[model] = 0.25 * (1.0 - invariants[model]); freqs[4 * model] = frequencies[4 * model] * invariants[model]; freqs[4 * model + 1] = frequencies[4 * model + 1] * invariants[model]; freqs[4 * model + 2] = frequencies[4 * model + 2] * invariants[model]; freqs[4 * model + 3] = frequencies[4 * model + 3] * invariants[model]; } for(model = 0; model < numberOfModels; model++) { diagptable = &diagptable_start[model * 36]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; kisqr = ki * ki; *diagptable++ = exp (EIGN[model * 3] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 1] * ki * lz); *diagptable++ = exp (EIGN[model * 3 + 2] * ki * lz); *diagptable++ = EIGN[model * 3] * ki; *diagptable++ = EIGN[model * 3] * EIGN[model * 3] * kisqr; *diagptable++ = EIGN[model * 3 + 1] * ki; *diagptable++ = EIGN[model * 3 + 1] * EIGN[model * 3 + 1] * kisqr; *diagptable++ = EIGN[model * 3 + 2] * ki; *diagptable++ = EIGN[model * 3 + 2] * EIGN[model * 3 + 2] * kisqr; } } for (i = lower; i < upper; i++) { diagptable = &diagptable_start[36 * modelptr[i]]; sum = &(sumtable[i * 16]); inv_Li = *sum++; inv_Li += (tmp_1 = *diagptable++ * *sum++); inv_Li += (tmp_2 = *diagptable++ * *sum++); inv_Li += (tmp_3 = *diagptable++ * *sum++); dlnLidlz = tmp_1 * *diagptable++; d2lnLidlz2 = tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; /* end */ inv_Li *= scalers[modelptr[i]]; if(iptr[i] < 4) inv_Li += freqs[4 * modelptr[i] + iptr[i]]; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLidlz *= scalers[modelptr[i]]; d2lnLidlz2 *= scalers[modelptr[i]]; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); free(freqs); free(scalers); } static void sumGAMMAPROT(int tipCase, double *sumtable, double *x1, double *x2, double *tipVector, char *tipX1, char *tipX2, int lower, int n) { int i, l; double *left, *right, *sum; switch(tipCase) { case TIP_TIP: for(i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); right = &(tipVector[20 * tipX2[i]]); sum = &(sumtable[i * 80]); for(l = 0; l < 4; l++) { *sum++ = left[0] * right[0]; *sum++ = left[1] * right[1]; *sum++ = left[2] * right[2]; *sum++ = left[3] * right[3]; *sum++ = left[4] * right[4]; *sum++ = left[5] * right[5]; *sum++ = left[6] * right[6]; *sum++ = left[7] * right[7]; *sum++ = left[8] * right[8]; *sum++ = left[9] * right[9]; *sum++ = left[10] * right[10]; *sum++ = left[11] * right[11]; *sum++ = left[12] * right[12]; *sum++ = left[13] * right[13]; *sum++ = left[14] * right[14]; *sum++ = left[15] * right[15]; *sum++ = left[16] * right[16]; *sum++ = left[17] * right[17]; *sum++ = left[18] * right[18]; *sum++ = left[19] * right[19]; } } break; case TIP_INNER: for(i = lower; i < n; i++) { left = &(tipVector[20 * tipX1[i]]); sum = &(sumtable[i * 80]); for(l = 0; l < 4; l++) { right = &(x2[80 * i + l * 20]); *sum++ = left[0] * right[0]; *sum++ = left[1] * right[1]; *sum++ = left[2] * right[2]; *sum++ = left[3] * right[3]; *sum++ = left[4] * right[4]; *sum++ = left[5] * right[5]; *sum++ = left[6] * right[6]; *sum++ = left[7] * right[7]; *sum++ = left[8] * right[8]; *sum++ = left[9] * right[9]; *sum++ = left[10] * right[10]; *sum++ = left[11] * right[11]; *sum++ = left[12] * right[12]; *sum++ = left[13] * right[13]; *sum++ = left[14] * right[14]; *sum++ = left[15] * right[15]; *sum++ = left[16] * right[16]; *sum++ = left[17] * right[17]; *sum++ = left[18] * right[18]; *sum++ = left[19] * right[19]; } } break; case INNER_INNER: for(i = lower; i < n; i++) { sum = &sumtable[i * 80]; for(l = 0; l < 4; l++) { left = &(x1[80 * i + l * 20]); right = &(x2[80 * i + l * 20]); *sum++ = left[0] * right[0]; *sum++ = left[1] * right[1]; *sum++ = left[2] * right[2]; *sum++ = left[3] * right[3]; *sum++ = left[4] * right[4]; *sum++ = left[5] * right[5]; *sum++ = left[6] * right[6]; *sum++ = left[7] * right[7]; *sum++ = left[8] * right[8]; *sum++ = left[9] * right[9]; *sum++ = left[10] * right[10]; *sum++ = left[11] * right[11]; *sum++ = left[12] * right[12]; *sum++ = left[13] * right[13]; *sum++ = left[14] * right[14]; *sum++ = left[15] * right[15]; *sum++ = left[16] * right[16]; *sum++ = left[17] * right[17]; *sum++ = left[18] * right[18]; *sum++ = left[19] * right[19]; } } break; default: assert(0); } } static void coreGTRGAMMAPROT(double *gammaRates, double *EIGN, double *sumtable, int lower, int upper, int *wrptr, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double lz) { double *sum, *diagptable, *diagptable_start; int i, l; double dlnLdlz = 0; double d2lnLdlz2 = 0; double ki, kisqr; double tmp; double inv_Li, dlnLidlz, d2lnLidlz2; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 228); for(i = 0; i < 4; i++) { ki = gammaRates[i]; kisqr = ki * ki; for(l = 0; l < 19; l++) { *diagptable++ = exp (EIGN[l] * ki * lz); *diagptable++ = EIGN[l] * ki; *diagptable++ = EIGN[l] * EIGN[l] * kisqr; } } for (i = lower; i < upper; i++) { diagptable = diagptable_start; sum = &sumtable[i * 80]; inv_Li = 0.0; dlnLidlz = 0.0; d2lnLidlz2 = 0.0; inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); } static void coreGTRGAMMAPROTINVAR(double *gammaRates, double *EIGN, double *sumtable, int lower, int upper, int *wrptr, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double lz, double *frequencies, double *invariants, int *iptr) { double *sum, *diagptable, *diagptable_start; int i, l; double dlnLdlz = 0; double d2lnLdlz2 = 0; double ki, kisqr; double freqs[20]; double scaler = 0.25 * (1.0 - invariants[0]); double tmp; double inv_Li, dlnLidlz, d2lnLidlz2; for(i = 0; i < 20; i++) freqs[i] = frequencies[i] * invariants[0]; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 228); for(i = 0; i < 4; i++) { ki = gammaRates[i]; kisqr = ki * ki; for(l = 0; l < 19; l++) { *diagptable++ = exp (EIGN[l] * ki * lz); *diagptable++ = EIGN[l] * ki; *diagptable++ = EIGN[l] * EIGN[l] * kisqr; } } for(i = lower; i < upper; i++) { diagptable = diagptable_start; sum = &sumtable[i * 80]; inv_Li = 0.0; dlnLidlz = 0.0; d2lnLidlz2 = 0.0; inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li *= scaler; if(iptr[i] < 20) inv_Li += freqs[iptr[i]]; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLidlz *= scaler; d2lnLidlz2 *= scaler; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); } static void sumGAMMAPROTMULT(int tipCase, double *sumtable, double *x1, double *x2, double *tipVector, char *tipX1, char *tipX2, int *modelptr, int lower, int n) { int i, l; double *left, *right, *sum; switch(tipCase) { case TIP_TIP: for(i = lower; i < n; i++) { left = &(tipVector[460 * modelptr[i] + 20 * tipX1[i]]); right = &(tipVector[460 * modelptr[i] + 20 * tipX2[i]]); sum = &(sumtable[i * 80]); for(l = 0; l < 4; l++) { *sum++ = left[0] * right[0]; *sum++ = left[1] * right[1]; *sum++ = left[2] * right[2]; *sum++ = left[3] * right[3]; *sum++ = left[4] * right[4]; *sum++ = left[5] * right[5]; *sum++ = left[6] * right[6]; *sum++ = left[7] * right[7]; *sum++ = left[8] * right[8]; *sum++ = left[9] * right[9]; *sum++ = left[10] * right[10]; *sum++ = left[11] * right[11]; *sum++ = left[12] * right[12]; *sum++ = left[13] * right[13]; *sum++ = left[14] * right[14]; *sum++ = left[15] * right[15]; *sum++ = left[16] * right[16]; *sum++ = left[17] * right[17]; *sum++ = left[18] * right[18]; *sum++ = left[19] * right[19]; } } break; case TIP_INNER: for(i = lower; i < n; i++) { left = &(tipVector[460 * modelptr[i] + 20 * tipX1[i]]); sum = &(sumtable[i * 80]); for(l = 0; l < 4; l++) { right = &(x2[80 * i + l * 20]); *sum++ = left[0] * right[0]; *sum++ = left[1] * right[1]; *sum++ = left[2] * right[2]; *sum++ = left[3] * right[3]; *sum++ = left[4] * right[4]; *sum++ = left[5] * right[5]; *sum++ = left[6] * right[6]; *sum++ = left[7] * right[7]; *sum++ = left[8] * right[8]; *sum++ = left[9] * right[9]; *sum++ = left[10] * right[10]; *sum++ = left[11] * right[11]; *sum++ = left[12] * right[12]; *sum++ = left[13] * right[13]; *sum++ = left[14] * right[14]; *sum++ = left[15] * right[15]; *sum++ = left[16] * right[16]; *sum++ = left[17] * right[17]; *sum++ = left[18] * right[18]; *sum++ = left[19] * right[19]; } } break; case INNER_INNER: for(i = lower; i < n; i++) { sum = &sumtable[i * 80]; for(l = 0; l < 4; l++) { left = &(x1[80 * i + l * 20]); right = &(x2[80 * i + l * 20]); *sum++ = left[0] * right[0]; *sum++ = left[1] * right[1]; *sum++ = left[2] * right[2]; *sum++ = left[3] * right[3]; *sum++ = left[4] * right[4]; *sum++ = left[5] * right[5]; *sum++ = left[6] * right[6]; *sum++ = left[7] * right[7]; *sum++ = left[8] * right[8]; *sum++ = left[9] * right[9]; *sum++ = left[10] * right[10]; *sum++ = left[11] * right[11]; *sum++ = left[12] * right[12]; *sum++ = left[13] * right[13]; *sum++ = left[14] * right[14]; *sum++ = left[15] * right[15]; *sum++ = left[16] * right[16]; *sum++ = left[17] * right[17]; *sum++ = left[18] * right[18]; *sum++ = left[19] * right[19]; } } break; default: assert(0); } } static void coreGTRGAMMAPROTMULT(double *gammaRates, double *EIGN, double *sumtable, int lower, int upper, int *wrptr, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double lz, int numberOfModels, int *modelptr) { double *sum, *diagptable, *diagptable_start; int i, l; double dlnLdlz = 0; double d2lnLdlz2 = 0; double ki, kisqr; double tmp; double inv_Li, dlnLidlz, d2lnLidlz2; int model; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 228 * numberOfModels); for(model = 0; model < numberOfModels; model++) { diagptable = &diagptable_start[model * 228]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; kisqr = ki * ki; for(l = 0; l < 19; l++) { *diagptable++ = exp (EIGN[model * 19 + l] * ki * lz); *diagptable++ = EIGN[model * 19 + l] * ki; *diagptable++ = EIGN[model * 19 + l] * EIGN[model * 19 + l] * kisqr; } } } for (i = lower; i < upper; i++) { diagptable = &diagptable_start[228 * modelptr[i]]; sum = &sumtable[i * 80]; inv_Li = 0.0; dlnLidlz = 0.0; d2lnLidlz2 = 0.0; inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); } static void coreGTRGAMMAPROTMULTINVAR(double *gammaRates, double *EIGN, double *sumtable, int lower, int upper, int *wrptr, double *ext_dlnLdlz, double *ext_d2lnLdlz2, double lz, int numberOfModels, int *modelptr, double *invariants, double *frequencies, int *iptr) { double *sum, *diagptable, *diagptable_start; int i, l; double dlnLdlz = 0; double d2lnLdlz2 = 0; double ki, kisqr; int model; double *scalers; double *freqs; double tmp; double inv_Li, dlnLidlz, d2lnLidlz2; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 228 * numberOfModels); freqs = (double *)malloc(20 * numberOfModels * sizeof(double)); scalers = (double *)malloc(numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { scalers[model] = 0.25 * (1.0 - invariants[model]); for(i = 0; i < 20; i++) freqs[20 * model + i] = frequencies[20 * model + i] * invariants[model]; } for(model = 0; model < numberOfModels; model++) { diagptable = &diagptable_start[model * 228]; for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; kisqr = ki * ki; for(l = 0; l < 19; l++) { *diagptable++ = exp (EIGN[model * 19 + l] * ki * lz); *diagptable++ = EIGN[model * 19 + l] * ki; *diagptable++ = EIGN[model * 19 + l] * EIGN[model * 19 + l] * kisqr; } } } for(i = lower; i < upper; i++) { model = modelptr[i]; diagptable = &diagptable_start[228 * model]; sum = &sumtable[i * 80]; inv_Li = 0.0; dlnLidlz = 0.0; d2lnLidlz2 = 0.0; inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li += *sum++; for(l = 1; l < 20; l++) { inv_Li += (tmp = *diagptable++ * *sum++); dlnLidlz += tmp * *diagptable++; d2lnLidlz2 += tmp * *diagptable++; } inv_Li *= scalers[model]; if(iptr[i] < 20) inv_Li += freqs[20 * model + iptr[i]]; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLidlz *= scalers[model]; d2lnLidlz2 *= scalers[model]; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *ext_dlnLdlz = dlnLdlz; *ext_d2lnLdlz2 = d2lnLdlz2; free(diagptable_start); free(freqs); free(scalers); } static void makenewzMixedData(int model, int pNumber, int qNumber, tree *tr) { double *x1_start = (double*)NULL, *x2_start = (double*)NULL; char *tipX1 = (char*)NULL, *tipX2 = (char*)NULL; int tipCase; /*int l = tr->modelIndices[model][0]; int u = tr->modelIndices[model][1]; */ int l = tr->partitionData[model].lower; int u = tr->partitionData[model].upper; int width = u - l; /*int offset = tr->modelOffsets[model]; */ int offset = tr->partitionData[model].modelOffset; if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(!( isTip(pNumber, tr->rdta->numsp) && isTip(qNumber, tr->rdta->numsp)) ) { tipCase = TIP_INNER; if(isTip(qNumber, tr->rdta->numsp)) { tipX1 = tr->yVector[qNumber]; tipX1 = &tipX1[l]; x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = &x2_start[offset]; } else { tipX1 = tr->yVector[pNumber]; tipX1 = &tipX1[l]; x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); x2_start = &x2_start[offset]; } } else { tipCase = TIP_TIP; tipX1 = tr->yVector[pNumber]; tipX1 = &tipX1[l]; tipX2 = tr->yVector[qNumber]; tipX2 = &tipX2[l]; } } else { tipCase = INNER_INNER; x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x1_start = &x1_start[offset]; x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); x2_start = &x2_start[offset]; } switch(tr->partitionData[model].dataType) { case DNA_DATA: switch(tr->rateHetModel) { case CAT: sumCAT(tipCase, &(tr->sumBuffer[offset]), x1_start, x2_start, &(tr->tipVectorDNA[model * 64]), tipX1, tipX2, 0, width); break; case GAMMA: case GAMMA_I: sumGAMMA(tipCase, &(tr->sumBuffer[offset]), x1_start, x2_start, &(tr->tipVectorDNA[model *64]), tipX1, tipX2, 0, width); break; default: assert(0); } break; case AA_DATA: switch(tr->rateHetModel) { case CAT: sumGTRCATPROT(tipCase, &(tr->sumBuffer[offset]), x1_start, x2_start, &(tr->tipVectorAA[model * 460]), tipX1, tipX2, 0, width); break; case GAMMA: case GAMMA_I: sumGAMMAPROT(tipCase, &tr->sumBuffer[offset], x1_start, x2_start, &(tr->tipVectorAA[model * 460]), tipX1, tipX2, 0, width); break; default: assert(0); } break; default: assert(0); } } #ifdef _LOCAL_DATA void makenewzIterative(tree *localTree, int startIndex, int endIndex) { int pNumber, qNumber; pNumber = localTree->td[0].ti[0].pNumber; qNumber = localTree->td[0].ti[0].qNumber; newviewIterative(localTree, startIndex, endIndex); if(localTree->mixedData) { int model; assert(0); for(model = 0; model < localTree->NumberOfModels; model++) makenewzMixedData(model, pNumber, qNumber, localTree); } else { double *x1_start = (double*)NULL, *x2_start = (double*)NULL; char *tipX1 = (char*)NULL, *tipX2 = (char*)NULL; int tipCase; if(isTip(pNumber, localTree->mxtips) || isTip(qNumber, localTree->mxtips)) { if(!( isTip(pNumber, localTree->mxtips) && isTip(qNumber, localTree->mxtips)) ) { tipCase = TIP_INNER; if(isTip(qNumber, localTree->mxtips)) { tipX1 = &(localTree->strided_yVector[qNumber][startIndex]); x2_start = getLikelihoodArray(pNumber, localTree->mxtips, localTree->xVector); } else { tipX1 = &(localTree->strided_yVector[pNumber][startIndex]); x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); } } else { tipCase = TIP_TIP; tipX1 = &(localTree->strided_yVector[pNumber][startIndex]); tipX2 = &(localTree->strided_yVector[qNumber][startIndex]); } } else { tipCase = INNER_INNER; x1_start = getLikelihoodArray(pNumber, localTree->mxtips, localTree->xVector); x2_start = getLikelihoodArray(qNumber, localTree->mxtips, localTree->xVector); } switch(localTree->likelihoodFunction) { case GTRCAT: sumCAT(tipCase, &(localTree->sumBuffer[startIndex * 4]), x1_start, x2_start, &(localTree->tipVectorDNA[0]), tipX1, tipX2, 0, (endIndex - startIndex)); break; case GTRGAMMA: case GTRGAMMAI: sumGAMMA(tipCase, &(localTree->sumBuffer[startIndex * 16]), x1_start, x2_start, &(localTree->tipVectorDNA[0]), tipX1, tipX2, 0, (endIndex - startIndex)); break; case GTRGAMMAMULT: case GTRGAMMAMULTI: if(localTree->multiBranch) sumGAMMAMULT(tipCase, &(localTree->sumBuffer[startIndex * 16]), x1_start, x2_start, &(localTree->tipVectorDNA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); else sumGAMMAMULT(tipCase, &(localTree->sumBuffer[startIndex * 16]), x1_start, x2_start, &(localTree->tipVectorDNA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); break; case GTRCATMULT: if(localTree->multiBranch) sumCATMULT(tipCase, &(localTree->sumBuffer[startIndex * 4]), x1_start, x2_start, &(localTree->tipVectorDNA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); else sumCATMULT(tipCase, &(localTree->sumBuffer[startIndex * 4]), x1_start, x2_start, &(localTree->tipVectorDNA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), startIndex, endIndex); break; case PROTCAT: sumGTRCATPROT(tipCase, &(localTree->sumBuffer[startIndex * 20]), x1_start, x2_start, &(localTree->tipVectorAA[0]), tipX1, tipX2, 0, (endIndex - startIndex)); break; case PROTCATMULT: if(localTree->multiBranch) sumGTRCATPROTMULT(tipCase, &(localTree->sumBuffer[startIndex * 20]), x1_start, x2_start, &(localTree->tipVectorAA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); else sumGTRCATPROTMULT(tipCase, &(localTree->sumBuffer[startIndex * 20]), x1_start, x2_start, &(localTree->tipVectorAA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); break; case PROTGAMMA: case PROTGAMMAI: sumGAMMAPROT(tipCase, &(localTree->sumBuffer[startIndex * 80]), x1_start, x2_start, &(localTree->tipVectorAA[0]), tipX1, tipX2, 0, (endIndex - startIndex)); break; case PROTGAMMAMULT: case PROTGAMMAMULTI: if(localTree->multiBranch) sumGAMMAPROTMULT(tipCase, &(localTree->sumBuffer[startIndex * 80]), x1_start, x2_start, &(localTree->tipVectorAA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); else sumGAMMAPROTMULT(tipCase, &(localTree->sumBuffer[startIndex * 80]), x1_start, x2_start, &(localTree->tipVectorAA[0]), tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex)); break; default: assert(0); } } } #else void makenewzIterative(tree *tr, int startIndex, int endIndex) { int pNumber, qNumber; pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; newviewIterative(tr, startIndex, endIndex); if(tr->mixedData) { int model; for(model = 0; model < tr->NumberOfModels; model++) makenewzMixedData(model, pNumber, qNumber, tr); } else { double *x1_start = (double*)NULL, *x2_start = (double*)NULL; char *tipX1 = (char*)NULL, *tipX2 = (char*)NULL; int tipCase; if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(!( isTip(pNumber, tr->rdta->numsp) && isTip(qNumber, tr->rdta->numsp)) ) { tipCase = TIP_INNER; if(isTip(qNumber, tr->rdta->numsp)) { tipX1 = tr->yVector[qNumber]; x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); } else { tipX1 = tr->yVector[pNumber]; x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); } } else { tipCase = TIP_TIP; tipX1 = tr->yVector[pNumber]; tipX2 = tr->yVector[qNumber]; } } else { tipCase = INNER_INNER; x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); } switch(tr->likelihoodFunction) { case GTRCAT: sumCAT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorDNA[0]), tipX1, tipX2, startIndex, endIndex); break; case GTRGAMMA: case GTRGAMMAI: sumGAMMA(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorDNA[0]), tipX1, tipX2, startIndex, endIndex); break; case GTRGAMMAMULT: case GTRGAMMAMULTI: sumGAMMAMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorDNA[0]), tipX1, tipX2, tr->model, startIndex, endIndex); break; case GTRCATMULT: sumCATMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorDNA[0]), tipX1, tipX2, tr->model, startIndex, endIndex); break; case PROTCAT: sumGTRCATPROT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorAA[0]), tipX1, tipX2, startIndex, endIndex); break; case PROTCATMULT: sumGTRCATPROTMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorAA[0]), tipX1, tipX2, tr->model, startIndex, endIndex); break; case PROTGAMMA: case PROTGAMMAI: sumGAMMAPROT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorAA[0]), tipX1, tipX2, startIndex, endIndex); break; case PROTGAMMAMULT: case PROTGAMMAMULTI: sumGAMMAPROTMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorAA[0]), tipX1, tipX2, tr->model, startIndex, endIndex); break; default: assert(0); } } } #endif static void coreMixedData(tree *tr, int model, double *dlnLdlz, double *d2lnLdlz2, double lz) { /*int l = tr->modelIndices[model][0]; int u = tr->modelIndices[model][1]; */ int l = tr->partitionData[model].lower; int u = tr->partitionData[model].upper; int width = u - l; /*int offset = tr->modelOffsets[model];*/ int offset = tr->partitionData[model].modelOffset; switch(/*tr->dataType[model]*/ tr->partitionData[model].dataType) { case DNA_DATA: switch(tr->rateHetModel) { case CAT: coreGTRCAT(0, width, tr->NumberOfCategories, &(tr->sumBuffer[offset]), dlnLdlz, d2lnLdlz2, &(tr->cdta->wr[l]), &(tr->cdta->wr2[l]), &(tr->cdta->patrat[0]), &(tr->EIGN_DNA[model * 3]), &(tr->cdta->rateCategory[l]), lz); break; case GAMMA: coreGTRGAMMA(0, width, &tr->sumBuffer[offset], dlnLdlz, d2lnLdlz2, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), lz, &(tr->cdta->aliaswgt[l])); break; case GAMMA_I: coreGTRGAMMAINVAR(&(tr->invariants[model]), &(tr->frequencies_DNA[model * 4]), &(tr->gammaRates[model * 4]), &(tr->EIGN_DNA[model * 3]), &(tr->sumBuffer[offset]), dlnLdlz, d2lnLdlz2, &(tr->invariant[l]), &(tr->cdta->aliaswgt[l]), 0, width, lz); break; default: assert(0); } break; case AA_DATA: switch(tr->rateHetModel) { case CAT: coreGTRCATPROT(&(tr->EIGN_AA[model * 19]), lz, tr->NumberOfCategories, &(tr->cdta->patrat[0]), &(tr->cdta->rateCategory[l]), 0, width, &(tr->cdta->wr[l]), &(tr->cdta->wr2[l]), dlnLdlz, d2lnLdlz2, &(tr->sumBuffer[offset])); break; case GAMMA: coreGTRGAMMAPROT(&(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), &(tr->sumBuffer[offset]), 0, width, &(tr->cdta->aliaswgt[l]), dlnLdlz, d2lnLdlz2, lz); break; case GAMMA_I: coreGTRGAMMAPROTINVAR(&(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), &(tr->sumBuffer[offset]), 0, width, &(tr->cdta->aliaswgt[l]), dlnLdlz, d2lnLdlz2, lz, &(tr->frequencies_AA[model * 20]), &(tr->invariants[model]), &(tr->invariant[l])); break; default: assert(0); } break; default: assert(0); } } #ifdef _LOCAL_DATA void execCore(tree *localTree, double *dlnLdlz, double *d2lnLdlz2, int lower, int upper, int model) { double lz = localTree->coreLZ; if(localTree->mixedData) { assert(0); if(localTree->multiBranch) coreMixedData(localTree, model, dlnLdlz, d2lnLdlz2, lz); else { int i; double local_dlnLdlz, local_d2lnLdlz2; *dlnLdlz = 0.0; *d2lnLdlz2 = 0.0; for(i = 0; i < localTree->NumberOfModels; i++) { coreMixedData(localTree, i, &local_dlnLdlz, &local_d2lnLdlz2, lz); *dlnLdlz += local_dlnLdlz; *d2lnLdlz2 += local_d2lnLdlz2; } } } else { switch(localTree->likelihoodFunction) { case GTRCAT: coreGTRCAT(lower, upper, localTree->NumberOfCategories, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, &(localTree->strided_wr[0]), &(localTree->strided_wr2[0]), &(localTree->strided_patrat[0]), &(localTree->EIGN_DNA[0]), &(localTree->strided_rateCategory[0]), lz); break; case GTRCATMULT: if(localTree->multiBranch) coreGTRCAT(lower, upper, localTree->NumberOfCategories, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, &(localTree->strided_wr[0]), &(localTree->strided_wr2[0]), &(localTree->strided_patrat[0]), &(localTree->EIGN_DNA[model * 3]), &(localTree->strided_rateCategory[0]), lz); else coreGTRCATMULT(lower, upper, localTree->NumberOfCategories, localTree->NumberOfModels, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, &(localTree->strided_wr[0]), &(localTree->strided_wr2[0]), &(localTree->strided_patrat[0]), localTree->EIGN_DNA, &(localTree->strided_rateCategory[0]), localTree->strided_model, lz); break; case PROTCAT: coreGTRCATPROT(localTree->EIGN_AA, lz, localTree->NumberOfCategories, &(localTree->strided_patrat[0]), &(localTree->strided_rateCategory[0]), lower, upper, &(localTree->strided_wr[0]), &(localTree->strided_wr2[0]), dlnLdlz, d2lnLdlz2, localTree->sumBuffer); break; case PROTCATMULT: if(localTree->multiBranch) coreGTRCATPROT(&(localTree->EIGN_AA[model * 19]), lz, localTree->NumberOfCategories, &(localTree->strided_patrat[0]), &(localTree->strided_rateCategory[0]), lower, upper, &(localTree->strided_wr[0]), &(localTree->strided_wr2[0]), dlnLdlz, d2lnLdlz2, localTree->sumBuffer); else coreGTRCATPROTMULT(localTree->EIGN_AA, lz, localTree->NumberOfCategories, &(localTree->strided_patrat[0]), &(localTree->strided_rateCategory[0]), lower, upper, &(localTree->strided_wr[0]), &(localTree->strided_wr2[0]), dlnLdlz, d2lnLdlz2, localTree->sumBuffer, localTree->NumberOfModels, localTree->strided_model); break; case GTRGAMMA: coreGTRGAMMA(lower, upper, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, localTree->EIGN_DNA, localTree->gammaRates, lz, localTree->strided_aliaswgt); break; case GTRGAMMAI: coreGTRGAMMAINVAR(localTree->invariants, localTree->frequencies_DNA, localTree->gammaRates, localTree->EIGN_DNA, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, localTree->strided_invariant, localTree->strided_aliaswgt, lower, upper, lz); break; case GTRGAMMAMULT: if(localTree->multiBranch) coreGTRGAMMA(lower, upper, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, &(localTree->EIGN_DNA[model * 3]), &(localTree->gammaRates[model * 4]), lz, localTree->strided_aliaswgt); else coreGTRGAMMAMULT(lower, upper, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, localTree->EIGN_DNA, localTree->gammaRates, lz, localTree->strided_aliaswgt, localTree->NumberOfModels, localTree->strided_model); break; case GTRGAMMAMULTI: if(localTree->multiBranch) coreGTRGAMMAINVAR(&(localTree->invariants[model]), &(localTree->frequencies_DNA[model * 4]), &(localTree->gammaRates[model * 4]), &(localTree->EIGN_DNA[model * 3]), localTree->sumBuffer, dlnLdlz, d2lnLdlz2, localTree->strided_invariant, localTree->strided_aliaswgt, lower, upper, lz); else coreGTRGAMMAMULTINVAR(lower, upper, localTree->sumBuffer, dlnLdlz, d2lnLdlz2, localTree->EIGN_DNA, localTree->gammaRates, lz, localTree->strided_aliaswgt, localTree->NumberOfModels, localTree->strided_model, localTree->frequencies_DNA, localTree->invariants, localTree->strided_invariant); break; case PROTGAMMA: coreGTRGAMMAPROT(localTree->gammaRates, localTree->EIGN_AA, localTree->sumBuffer, lower, upper, localTree->strided_aliaswgt, dlnLdlz, d2lnLdlz2, lz); break; case PROTGAMMAI: coreGTRGAMMAPROTINVAR(localTree->gammaRates, localTree->EIGN_AA, localTree->sumBuffer, lower, upper, localTree->strided_aliaswgt, dlnLdlz, d2lnLdlz2, lz, localTree->frequencies_AA, localTree->invariants, localTree->strided_invariant); break; case PROTGAMMAMULT: if(localTree->multiBranch) coreGTRGAMMAPROT(&(localTree->gammaRates[model * 4]), &(localTree->EIGN_AA[model * 19]), localTree->sumBuffer, lower, upper, localTree->strided_aliaswgt, dlnLdlz, d2lnLdlz2, lz); else coreGTRGAMMAPROTMULT(localTree->gammaRates, localTree->EIGN_AA, localTree->sumBuffer, lower, upper, localTree->strided_aliaswgt, dlnLdlz, d2lnLdlz2, lz, localTree->NumberOfModels, localTree->strided_model); break; case PROTGAMMAMULTI: if(localTree->multiBranch) coreGTRGAMMAPROTINVAR(&(localTree->gammaRates[model * 4]), &(localTree->EIGN_AA[model * 19]), localTree->sumBuffer, lower, upper, localTree->strided_aliaswgt, dlnLdlz, d2lnLdlz2, lz, &(localTree->frequencies_AA[model * 20]), &(localTree->invariants[model]), localTree->strided_invariant); else coreGTRGAMMAPROTMULTINVAR(localTree->gammaRates, localTree->EIGN_AA, localTree->sumBuffer, lower, upper, localTree->strided_aliaswgt, dlnLdlz, d2lnLdlz2, lz, localTree->NumberOfModels, localTree->strided_model, localTree->invariants, localTree->frequencies_AA, localTree->strided_invariant); break; default: assert(0); } } } #else void execCore(tree *tr, double *dlnLdlz, double *d2lnLdlz2, int lower, int upper, int model) { double lz = tr->coreLZ; if(tr->mixedData) { if(tr->multiBranch) coreMixedData(tr, model, dlnLdlz, d2lnLdlz2, lz); else { int i; double local_dlnLdlz, local_d2lnLdlz2; *dlnLdlz = 0.0; *d2lnLdlz2 = 0.0; for(i = 0; i < tr->NumberOfModels; i++) { coreMixedData(tr, i, &local_dlnLdlz, &local_d2lnLdlz2, lz); *dlnLdlz += local_dlnLdlz; *d2lnLdlz2 += local_d2lnLdlz2; } } } else { switch(tr->likelihoodFunction) { case GTRCAT: coreGTRCAT(lower, upper, tr->NumberOfCategories, tr->sumBuffer, dlnLdlz, d2lnLdlz2, &(tr->cdta->wr[0]), &(tr->cdta->wr2[0]), &(tr->cdta->patrat[0]), &(tr->EIGN_DNA[0]), &(tr->cdta->rateCategory[0]), lz); break; case GTRCATMULT: if(tr->multiBranch) coreGTRCAT(lower, upper, tr->NumberOfCategories, tr->sumBuffer, dlnLdlz, d2lnLdlz2, &(tr->cdta->wr[0]), &(tr->cdta->wr2[0]), &(tr->cdta->patrat[0]), &(tr->EIGN_DNA[model * 3]), &(tr->cdta->rateCategory[0]), lz); else coreGTRCATMULT(lower, upper, tr->NumberOfCategories, tr->NumberOfModels, tr->sumBuffer, dlnLdlz, d2lnLdlz2, &(tr->cdta->wr[0]), &(tr->cdta->wr2[0]), &(tr->cdta->patrat[0]), tr->EIGN_DNA, &(tr->cdta->rateCategory[0]), tr->model, lz); break; case PROTCAT: coreGTRCATPROT(tr->EIGN_AA, lz, tr->NumberOfCategories, &(tr->cdta->patrat[0]), &(tr->cdta->rateCategory[0]), lower, upper, &(tr->cdta->wr[0]), &(tr->cdta->wr2[0]), dlnLdlz, d2lnLdlz2, tr->sumBuffer); break; case PROTCATMULT: if(tr->multiBranch) coreGTRCATPROT(&(tr->EIGN_AA[model * 19]), lz, tr->NumberOfCategories, &(tr->cdta->patrat[0]), &(tr->cdta->rateCategory[0]), lower, upper, &(tr->cdta->wr[0]), &(tr->cdta->wr2[0]), dlnLdlz, d2lnLdlz2, tr->sumBuffer); else coreGTRCATPROTMULT(tr->EIGN_AA, lz, tr->NumberOfCategories, &(tr->cdta->patrat[0]), &(tr->cdta->rateCategory[0]), lower, upper, &(tr->cdta->wr[0]), &(tr->cdta->wr2[0]), dlnLdlz, d2lnLdlz2, tr->sumBuffer, tr->NumberOfModels, tr->model); break; case GTRGAMMA: coreGTRGAMMA(lower, upper, tr->sumBuffer, dlnLdlz, d2lnLdlz2, tr->EIGN_DNA, tr->gammaRates, lz, tr->cdta->aliaswgt); break; case GTRGAMMAI: coreGTRGAMMAINVAR(tr->invariants, tr->frequencies_DNA, tr->gammaRates, tr->EIGN_DNA, tr->sumBuffer, dlnLdlz, d2lnLdlz2, tr->invariant, tr->cdta->aliaswgt, lower, upper, lz); break; case GTRGAMMAMULT: if(tr->multiBranch) coreGTRGAMMA(lower, upper, tr->sumBuffer, dlnLdlz, d2lnLdlz2, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), lz, tr->cdta->aliaswgt); else coreGTRGAMMAMULT(lower, upper, tr->sumBuffer, dlnLdlz, d2lnLdlz2, tr->EIGN_DNA, tr->gammaRates, lz, tr->cdta->aliaswgt, tr->NumberOfModels, tr->model); break; case GTRGAMMAMULTI: if(tr->multiBranch) coreGTRGAMMAINVAR(&(tr->invariants[model]), &(tr->frequencies_DNA[model * 4]), &(tr->gammaRates[model * 4]), &(tr->EIGN_DNA[model * 3]), tr->sumBuffer, dlnLdlz, d2lnLdlz2, tr->invariant, tr->cdta->aliaswgt, lower, upper, lz); else coreGTRGAMMAMULTINVAR(lower, upper, tr->sumBuffer, dlnLdlz, d2lnLdlz2, tr->EIGN_DNA, tr->gammaRates, lz, tr->cdta->aliaswgt, tr->NumberOfModels, tr->model, tr->frequencies_DNA, tr->invariants, tr->invariant); break; case PROTGAMMA: coreGTRGAMMAPROT(tr->gammaRates, tr->EIGN_AA, tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz); break; case PROTGAMMAI: coreGTRGAMMAPROTINVAR(tr->gammaRates, tr->EIGN_AA, tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz, tr->frequencies_AA, tr->invariants, tr->invariant); break; case PROTGAMMAMULT: if(tr->multiBranch) coreGTRGAMMAPROT(&(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz); else coreGTRGAMMAPROTMULT(tr->gammaRates, tr->EIGN_AA, tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz, tr->NumberOfModels, tr->model); break; case PROTGAMMAMULTI: if(tr->multiBranch) coreGTRGAMMAPROTINVAR(&(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz, &(tr->frequencies_AA[model * 20]), &(tr->invariants[model]), tr->invariant); else coreGTRGAMMAPROTMULTINVAR(tr->gammaRates, tr->EIGN_AA, tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz, tr->NumberOfModels, tr->model, tr->invariants, tr->frequencies_AA, tr->invariant); break; default: assert(0); } } } #endif static void topLevelMakenewz(tree *tr, int lower, int upper, int model, double z0, int maxiter, double *result) { double z, zprev, zstep; double dlnLdlz, d2lnLdlz2; z = z0; do { int curvatOK = FALSE; zprev = z; zstep = (1.0 - zmax) * z + zmin; do { double lz; if (z < zmin) z = zmin; else if (z > zmax) z = zmax; lz = log(z); tr->coreLZ = lz; #ifdef _USE_PTHREADS { int i; dlnLdlz = 0.0; d2lnLdlz2 = 0.0; tr->modelNumber = model; masterBarrier(THREAD_MAKENEWZ, tr); for(i = 0; i < NumberOfThreads; i++) { dlnLdlz += reductionBuffer[i]; d2lnLdlz2 += reductionBufferTwo[i]; } } #else execCore(tr, &dlnLdlz, &d2lnLdlz2, lower, upper, model); #endif if ((d2lnLdlz2 >= 0.0) && (z < zmax)) zprev = z = 0.37 * z + 0.63; /* Bad curvature, shorten branch */ else curvatOK = TRUE; } while (! curvatOK); if (d2lnLdlz2 < 0.0) { double tantmp = -dlnLdlz / d2lnLdlz2; /* prevent overflow */ if (tantmp < 100) { z *= exp(tantmp); if (z < zmin) { z = zmin; } if (z > 0.25 * zprev + 0.75) /* Limit steps toward z = 1.0 */ z = 0.25 * zprev + 0.75; } else { z = 0.25 * zprev + 0.75; } } if (z > zmax) z = zmax; } while ((--maxiter > 0) && (ABS(z - zprev) > zstep)); result[0] = z; } static void switchAndAssign(tree *tr) { #ifdef _USE_PTHREADS masterBarrier(THREAD_SUM_MAKENEWZ, tr); #else makenewzIterative(tr, 0, tr->cdta->endsite); #endif } void makenewzGeneric(tree *tr, nodeptr p, nodeptr q, double *z0, int maxiter, double *result) { int i, l, u, modelCounter; tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(i = 0; i < tr->numBranches; i++) { tr->td[0].ti[0].qz[i] = z0[i]; } tr->td[0].count = 1; if(!p->x) computeTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(!q->x) computeTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(tr->mixedData) { switch(tr->rateHetModel) { case CAT: switchAndAssign(tr); break; case GAMMA: case GAMMA_I: switchAndAssign(tr); break; default: assert(0); } } else { switch(tr->likelihoodFunction) { case GTRCAT: switchAndAssign(tr); break; case GTRCATMULT: switchAndAssign(tr); break; case PROTCAT: switchAndAssign(tr); break; case PROTCATMULT: switchAndAssign(tr); break; case GTRGAMMA: switchAndAssign(tr); break; case GTRGAMMAI: switchAndAssign(tr); break; case GTRGAMMAMULT: switchAndAssign(tr); break; case GTRGAMMAMULTI: switchAndAssign(tr); break; case PROTGAMMA: switchAndAssign(tr); break; case PROTGAMMAI: switchAndAssign(tr); break; case PROTGAMMAMULT: switchAndAssign(tr); break; case PROTGAMMAMULTI: switchAndAssign(tr); break; default: assert(0); } } if(tr->multiBranch) for(modelCounter = 0; modelCounter < tr->NumberOfModels; modelCounter++) { l = tr->partitionData[modelCounter].lower; u = tr->partitionData[modelCounter].upper; topLevelMakenewz(tr, l, u, modelCounter, z0[modelCounter], maxiter, &(result[modelCounter])); } else topLevelMakenewz(tr, 0, tr->cdta->endsite, 0, z0[0], maxiter, &(result[0])); /*free(tr->sumBuffer);*/ } /********************************************************************************************************/ void execCorePartition(tree *tr, double *dlnLdlz, double *d2lnLdlz2, int lower, int upper, int model) { double lz = tr->coreLZ; switch(tr->likelihoodFunction) { case GTRGAMMA: /* needed for rate opt*/ case GTRGAMMAMULT: coreGTRGAMMA(lower, upper, tr->sumBuffer, dlnLdlz, d2lnLdlz2, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), lz, tr->cdta->aliaswgt); break; case GTRGAMMAI: /* needed for rate opt*/ case GTRGAMMAMULTI: coreGTRGAMMAINVAR(&(tr->invariants[model]), &(tr->frequencies_DNA[model * 4]), &(tr->gammaRates[model * 4]), &(tr->EIGN_DNA[model * 3]), tr->sumBuffer, dlnLdlz, d2lnLdlz2, tr->invariant, tr->cdta->aliaswgt, lower, upper, lz); break; case PROTGAMMA: /* needed for rate opt*/ case PROTGAMMAMULT: coreGTRGAMMAPROT(&(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz); break; case PROTGAMMAI: /* needed for rate opt*/ case PROTGAMMAMULTI: coreGTRGAMMAPROTINVAR(&(tr->gammaRates[model * 4]), &(tr->EIGN_AA[model * 19]), tr->sumBuffer, lower, upper, tr->cdta->aliaswgt, dlnLdlz, d2lnLdlz2, lz, &(tr->frequencies_AA[model * 20]), &(tr->invariants[model]), tr->invariant); break; default: assert(0); } } void makenewzIterativePartition(tree *tr, int startIndex, int endIndex, int model) { double *x1_start = (double*)NULL, *x2_start = (double*)NULL; char *tipX1 = (char*)NULL, *tipX2 = (char*)NULL; int tipCase; int pNumber, qNumber; #ifdef _MULTI_GENE if(tr->doMulti) { pNumber = tr->td[model].ti[0].pNumber; qNumber = tr->td[model].ti[0].qNumber; } else #endif { pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; } newviewIterativePartition(tr, startIndex, endIndex, model); if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(!(isTip(pNumber, tr->rdta->numsp) && isTip(qNumber, tr->rdta->numsp))) { tipCase = TIP_INNER; if(isTip(qNumber, tr->rdta->numsp)) { tipX1 = tr->yVector[qNumber]; x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); } else { tipX1 = tr->yVector[pNumber]; x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); } } else { tipCase = TIP_TIP; tipX1 = tr->yVector[pNumber]; tipX2 = tr->yVector[qNumber]; } } else { tipCase = INNER_INNER; x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); } switch(tr->likelihoodFunction) { case GTRGAMMA: /* needed for rate opt*/ case GTRGAMMAI: /* needed for rate opt*/ case GTRGAMMAMULT: case GTRGAMMAMULTI: sumGAMMAMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorDNA[0]), tipX1, tipX2, tr->model, startIndex, endIndex); break; case PROTGAMMA: /* needed for rate opt*/ case PROTGAMMAI: /* needed for rate opt*/ case PROTGAMMAMULT: case PROTGAMMAMULTI: sumGAMMAPROTMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorAA[0]), tipX1, tipX2, tr->model, startIndex, endIndex); break; default: assert(0); } } static void switchAndAssignPartition(tree *tr, int lower, int upper, int model) { #ifdef _USE_PTHREADS tr->modelNumber = model; masterBarrier(THREAD_SUM_MAKENEWZ_PARTITION, tr); #else makenewzIterativePartition(tr, lower, upper, model); #endif } static void topLevelMakenewzPartition(tree *tr, int lower, int upper, int model, double z0, int maxiter, double *result) { double z, zprev, zstep; double dlnLdlz, d2lnLdlz2; z = z0; do { int curvatOK = FALSE; zprev = z; zstep = (1.0 - zmax) * z + zmin; do { double lz; if (z < zmin) z = zmin; else if (z > zmax) z = zmax; lz = log(z); tr->coreLZ = lz; #ifdef _USE_PTHREADS { int i; dlnLdlz = 0.0; d2lnLdlz2 = 0.0; tr->modelNumber = model; masterBarrier(THREAD_MAKENEWZ_PARTITION, tr); for(i = 0; i < NumberOfThreads; i++) { dlnLdlz += reductionBuffer[i]; d2lnLdlz2 += reductionBufferTwo[i]; } } #else execCorePartition(tr, &dlnLdlz, &d2lnLdlz2, lower, upper, model); #endif if ((d2lnLdlz2 >= 0.0) && (z < zmax)) zprev = z = 0.37 * z + 0.63; /* Bad curvature, shorten branch */ else curvatOK = TRUE; } while (! curvatOK); if (d2lnLdlz2 < 0.0) { double tantmp = -dlnLdlz / d2lnLdlz2; /* prevent overflow */ if (tantmp < 100) { z *= exp(tantmp); if (z < zmin) { z = zmin; } if (z > 0.25 * zprev + 0.75) /* Limit steps toward z = 1.0 */ z = 0.25 * zprev + 0.75; } else { z = 0.25 * zprev + 0.75; } } if (z > zmax) z = zmax; } while ((--maxiter > 0) && (ABS(z - zprev) > zstep)); *result = z; } double makenewzPartitionGeneric(tree *tr, nodeptr p, nodeptr q, double z0, int maxiter, int model) { int i, l, u; double result; assert(!tr->mixedData); l = tr->partitionData[model].lower; u = tr->partitionData[model].upper; assert(!tr->mixedData); /* should not be called when using mixed DNA/AA data */ #ifdef _MULTI_GENE if(tr->doMulti) { tr->td[model].ti[0].pNumber = p->number; tr->td[model].ti[0].qNumber = q->number; tr->td[model].ti[0].qz[model] = q->z[model]; tr->td[model].count = 1; if(!p->xs[model]) computeMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); if(!q->xs[model]) computeMultiTraversalInfo(q, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); printf("%d\n", tr->td[model].count); /* if(!p->xs[model]) computeFullMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); if(!q->xs[model]) computeFullMultiTraversalInfo(q, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); */ /*printf("MAMA\n");*/ if(!isTip(p->number, tr->mxtips)) assert(p->xs[model]); if(!isTip(q->number, tr->mxtips)) assert(q->xs[model]); /*printf("PAPA\n");*/ } else #endif { tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; for(i = 0; i < tr->numBranches; i++) tr->td[0].ti[0].qz[i] = q->z[i]; tr->td[0].count = 1; if(!p->x) computeTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(!q->x) computeTraversalInfo(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); } switchAndAssignPartition(tr, l, u, model); topLevelMakenewzPartition(tr, l, u, model, z0, maxiter, &result); /*free(tr->sumBuffer);*/ return result; } ./arbsrc_9167/GDE/RAxML/models.c0000644012664100000130000025550611213220010016103 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands * of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include "axml.h" extern int optimizeRatesInvocations; extern int optimizeRateCategoryInvocations; extern int optimizeAlphaInvocations; extern int optimizeTTRatioInvocations; extern int optimizeInvarInvocations; extern int NumberOfThreads; void makeVal(char code, double *val) { double i_value; int j; assert(code >= 0 && code <= 22); if(code < 22) i_value = 0.0; else i_value = 1.0; for(j = 0; j < 20; j++) val[j] = i_value; if(code < 20) val[code] = 1.0; else { if(code == 20) val[2] = val[3] = 1.0; if(code == 21) val[5] = val[6] = 1.0; } } void baseFrequenciesGTR(rawdata *rdta, cruncheddata *cdta, tree *tr, analdef *adef) { double sum, suma, sumc, sumg, sumt, wj, fa, fc, fg, ft, freqa, freqc, freqg, freqt, pfreqs[20], sumf[20], val[20], temp[20], acc; int i, j, k, l, code; char *yptr; int model; int lower; int upper; if(!adef->useMultipleModel) { assert(tr->partitionData[0].lower == 0); assert(tr->partitionData[0].upper == tr->cdta->endsite); } for(model = 0; model < tr->NumberOfModels; model++) { /*lower = tr->modelIndices[model][0]; upper = tr->modelIndices[model][1];*/ lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; switch(/*tr->dataType[model]*/tr->partitionData[model].dataType) { case AA_DATA: for(l = 0; l < 20; l++) pfreqs[l] = 0.05; for (k = 1; k <= 8; k++) { for(l = 0; l < 20; l++) sumf[l] = 0.0; for (i = 0; i < rdta->numsp; i++) { yptr = &(rdta->y0[i * tr->originalCrunchedLength]); for(j = lower; j < upper; j++) { makeVal(yptr[j], val); for(l = 0; l < 20; l++) { if(val[l] != 0.0) temp[l] = pfreqs[l] * val[l]; else temp[l] = 0.0; } acc = 0; for(l = 0; l < 20; l++) { if(temp[l] != 0.0) acc += temp[l]; } wj = ((double)cdta->aliaswgt[j]) / acc; for(l = 0; l < 20; l++) { if(temp[l] != 0.0) { sumf[l] += wj * temp[l]; } } } } acc = 0; for(l = 0; l < 20; l++) { if(sumf[l] != 0.0) acc += sumf[l]; } for(l = 0; l < 20; l++) pfreqs[l] = sumf[l] / acc; } { int countZeros = 0; for(l = 0; l < 20; l++) { if(pfreqs[l] == 0.0) countZeros++; } if(countZeros > 0) { double correction; correction = (FREQ_MIN * (double)countZeros)/ ((double)(20 - countZeros)); for(l = 0; l < 20; l++) { if(pfreqs[l] == 0.0) pfreqs[l] = FREQ_MIN; else pfreqs[l] -= correction; tr->frequencies_AA[model * 20 + l] = pfreqs[l]; } } else { for(l = 0; l < 20; l++) tr->frequencies_AA[model * 20 + l] = pfreqs[l]; } } break; case DNA_DATA: freqa = 0.25; freqc = 0.25; freqg = 0.25; freqt = 0.25; for (k = 1; k <= 8; k++) { suma = 0.0; sumc = 0.0; sumg = 0.0; sumt = 0.0; for (i = 0; i < rdta->numsp; i++) { yptr = &(rdta->y0[i * tr->originalCrunchedLength + lower]); for (j = lower; j < upper; j++) { code = *yptr++; if(code > 0) { fa = freqa * ( code & 1); fc = freqc * ((code >> 1) & 1); fg = freqg * ((code >> 2) & 1); ft = freqt * ((code >> 3) & 1); wj = cdta->aliaswgt[j] / (fa + fc + fg + ft); suma += wj * fa; sumc += wj * fc; sumg += wj * fg; sumt += wj * ft; } } } sum = suma + sumc + sumg + sumt; freqa = suma / sum; freqc = sumc / sum; freqg = sumg / sum; freqt = sumt / sum; } if(freqa == 0.0 || freqc == 0.0 || freqg == 0.0 || freqt == 0.0) { printf("ERROR: one of the DNA base freqs is equal to zero\n"); exit(-1); } tr->frequencies_DNA[model * 4] = freqa; tr->frequencies_DNA[model * 4 + 1] = freqc; tr->frequencies_DNA[model * 4 + 2] = freqg; tr->frequencies_DNA[model * 4 + 3] = freqt; break; default: assert(0); } } return; } static void initProtMat(int model, double f[20], int proteinMatrix, double *ext_initialRates, boolean userProteinModel, double *externalAAMatrix) { double q[20][20]; double daa[400], max, temp; int i, j, r; double *initialRates = &(ext_initialRates[model * 190]); double scaler; if(userProteinModel) { assert(externalAAMatrix); memcpy(daa, externalAAMatrix, 400 * sizeof(double)); memcpy(f, &(externalAAMatrix[400]), 20 * sizeof(double)); } else { switch(proteinMatrix) { case DAYHOFF: { daa[ 1*20+ 0] = 27.00; daa[ 2*20+ 0] = 98.00; daa[ 2*20+ 1] = 32.00; daa[ 3*20+ 0] = 120.00; daa[ 3*20+ 1] = 0.00; daa[ 3*20+ 2] = 905.00; daa[ 4*20+ 0] = 36.00; daa[ 4*20+ 1] = 23.00; daa[ 4*20+ 2] = 0.00; daa[ 4*20+ 3] = 0.00; daa[ 5*20+ 0] = 89.00; daa[ 5*20+ 1] = 246.00; daa[ 5*20+ 2] = 103.00; daa[ 5*20+ 3] = 134.00; daa[ 5*20+ 4] = 0.00; daa[ 6*20+ 0] = 198.00; daa[ 6*20+ 1] = 1.00; daa[ 6*20+ 2] = 148.00; daa[ 6*20+ 3] = 1153.00; daa[ 6*20+ 4] = 0.00; daa[ 6*20+ 5] = 716.00; daa[ 7*20+ 0] = 240.00; daa[ 7*20+ 1] = 9.00; daa[ 7*20+ 2] = 139.00; daa[ 7*20+ 3] = 125.00; daa[ 7*20+ 4] = 11.00; daa[ 7*20+ 5] = 28.00; daa[ 7*20+ 6] = 81.00; daa[ 8*20+ 0] = 23.00; daa[ 8*20+ 1] = 240.00; daa[ 8*20+ 2] = 535.00; daa[ 8*20+ 3] = 86.00; daa[ 8*20+ 4] = 28.00; daa[ 8*20+ 5] = 606.00; daa[ 8*20+ 6] = 43.00; daa[ 8*20+ 7] = 10.00; daa[ 9*20+ 0] = 65.00; daa[ 9*20+ 1] = 64.00; daa[ 9*20+ 2] = 77.00; daa[ 9*20+ 3] = 24.00; daa[ 9*20+ 4] = 44.00; daa[ 9*20+ 5] = 18.00; daa[ 9*20+ 6] = 61.00; daa[ 9*20+ 7] = 0.00; daa[ 9*20+ 8] = 7.00; daa[10*20+ 0] = 41.00; daa[10*20+ 1] = 15.00; daa[10*20+ 2] = 34.00; daa[10*20+ 3] = 0.00; daa[10*20+ 4] = 0.00; daa[10*20+ 5] = 73.00; daa[10*20+ 6] = 11.00; daa[10*20+ 7] = 7.00; daa[10*20+ 8] = 44.00; daa[10*20+ 9] = 257.00; daa[11*20+ 0] = 26.00; daa[11*20+ 1] = 464.00; daa[11*20+ 2] = 318.00; daa[11*20+ 3] = 71.00; daa[11*20+ 4] = 0.00; daa[11*20+ 5] = 153.00; daa[11*20+ 6] = 83.00; daa[11*20+ 7] = 27.00; daa[11*20+ 8] = 26.00; daa[11*20+ 9] = 46.00; daa[11*20+10] = 18.00; daa[12*20+ 0] = 72.00; daa[12*20+ 1] = 90.00; daa[12*20+ 2] = 1.00; daa[12*20+ 3] = 0.00; daa[12*20+ 4] = 0.00; daa[12*20+ 5] = 114.00; daa[12*20+ 6] = 30.00; daa[12*20+ 7] = 17.00; daa[12*20+ 8] = 0.00; daa[12*20+ 9] = 336.00; daa[12*20+10] = 527.00; daa[12*20+11] = 243.00; daa[13*20+ 0] = 18.00; daa[13*20+ 1] = 14.00; daa[13*20+ 2] = 14.00; daa[13*20+ 3] = 0.00; daa[13*20+ 4] = 0.00; daa[13*20+ 5] = 0.00; daa[13*20+ 6] = 0.00; daa[13*20+ 7] = 15.00; daa[13*20+ 8] = 48.00; daa[13*20+ 9] = 196.00; daa[13*20+10] = 157.00; daa[13*20+11] = 0.00; daa[13*20+12] = 92.00; daa[14*20+ 0] = 250.00; daa[14*20+ 1] = 103.00; daa[14*20+ 2] = 42.00; daa[14*20+ 3] = 13.00; daa[14*20+ 4] = 19.00; daa[14*20+ 5] = 153.00; daa[14*20+ 6] = 51.00; daa[14*20+ 7] = 34.00; daa[14*20+ 8] = 94.00; daa[14*20+ 9] = 12.00; daa[14*20+10] = 32.00; daa[14*20+11] = 33.00; daa[14*20+12] = 17.00; daa[14*20+13] = 11.00; daa[15*20+ 0] = 409.00; daa[15*20+ 1] = 154.00; daa[15*20+ 2] = 495.00; daa[15*20+ 3] = 95.00; daa[15*20+ 4] = 161.00; daa[15*20+ 5] = 56.00; daa[15*20+ 6] = 79.00; daa[15*20+ 7] = 234.00; daa[15*20+ 8] = 35.00; daa[15*20+ 9] = 24.00; daa[15*20+10] = 17.00; daa[15*20+11] = 96.00; daa[15*20+12] = 62.00; daa[15*20+13] = 46.00; daa[15*20+14] = 245.00; daa[16*20+ 0] = 371.00; daa[16*20+ 1] = 26.00; daa[16*20+ 2] = 229.00; daa[16*20+ 3] = 66.00; daa[16*20+ 4] = 16.00; daa[16*20+ 5] = 53.00; daa[16*20+ 6] = 34.00; daa[16*20+ 7] = 30.00; daa[16*20+ 8] = 22.00; daa[16*20+ 9] = 192.00; daa[16*20+10] = 33.00; daa[16*20+11] = 136.00; daa[16*20+12] = 104.00; daa[16*20+13] = 13.00; daa[16*20+14] = 78.00; daa[16*20+15] = 550.00; daa[17*20+ 0] = 0.00; daa[17*20+ 1] = 201.00; daa[17*20+ 2] = 23.00; daa[17*20+ 3] = 0.00; daa[17*20+ 4] = 0.00; daa[17*20+ 5] = 0.00; daa[17*20+ 6] = 0.00; daa[17*20+ 7] = 0.00; daa[17*20+ 8] = 27.00; daa[17*20+ 9] = 0.00; daa[17*20+10] = 46.00; daa[17*20+11] = 0.00; daa[17*20+12] = 0.00; daa[17*20+13] = 76.00; daa[17*20+14] = 0.00; daa[17*20+15] = 75.00; daa[17*20+16] = 0.00; daa[18*20+ 0] = 24.00; daa[18*20+ 1] = 8.00; daa[18*20+ 2] = 95.00; daa[18*20+ 3] = 0.00; daa[18*20+ 4] = 96.00; daa[18*20+ 5] = 0.00; daa[18*20+ 6] = 22.00; daa[18*20+ 7] = 0.00; daa[18*20+ 8] = 127.00; daa[18*20+ 9] = 37.00; daa[18*20+10] = 28.00; daa[18*20+11] = 13.00; daa[18*20+12] = 0.00; daa[18*20+13] = 698.00; daa[18*20+14] = 0.00; daa[18*20+15] = 34.00; daa[18*20+16] = 42.00; daa[18*20+17] = 61.00; daa[19*20+ 0] = 208.00; daa[19*20+ 1] = 24.00; daa[19*20+ 2] = 15.00; daa[19*20+ 3] = 18.00; daa[19*20+ 4] = 49.00; daa[19*20+ 5] = 35.00; daa[19*20+ 6] = 37.00; daa[19*20+ 7] = 54.00; daa[19*20+ 8] = 44.00; daa[19*20+ 9] = 889.00; daa[19*20+10] = 175.00; daa[19*20+11] = 10.00; daa[19*20+12] = 258.00; daa[19*20+13] = 12.00; daa[19*20+14] = 48.00; daa[19*20+15] = 30.00; daa[19*20+16] = 157.00; daa[19*20+17] = 0.00; daa[19*20+18] = 28.00; f[ 0] = 0.087000; f[ 1] = 0.041000; f[ 2] = 0.040000; f[ 3] = 0.047000; f[ 4] = 0.034000; f[ 5] = 0.038000; f[ 6] = 0.050000; f[ 7] = 0.089000; f[ 8] = 0.034000; f[ 9] = 0.037000; f[10] = 0.085000; f[11] = 0.080000; f[12] = 0.014000; f[13] = 0.040000; f[14] = 0.051000; f[15] = 0.070000; f[16] = 0.058000; f[17] = 0.011000; f[18] = 0.030000; f[19] = 0.064000; } break; case DCMUT: { daa[ 1*20+ 0] = 26.78280; daa[ 2*20+ 0] = 98.44740; daa[ 2*20+ 1] = 32.70590; daa[ 3*20+ 0] = 119.98050; daa[ 3*20+ 1] = 0.00000; daa[ 3*20+ 2] = 893.15150; daa[ 4*20+ 0] = 36.00160; daa[ 4*20+ 1] = 23.23740; daa[ 4*20+ 2] = 0.00000; daa[ 4*20+ 3] = 0.00000; daa[ 5*20+ 0] = 88.77530; daa[ 5*20+ 1] = 243.99390; daa[ 5*20+ 2] = 102.85090; daa[ 5*20+ 3] = 134.85510; daa[ 5*20+ 4] = 0.00000; daa[ 6*20+ 0] = 196.11670; daa[ 6*20+ 1] = 0.00000; daa[ 6*20+ 2] = 149.34090; daa[ 6*20+ 3] = 1138.86590; daa[ 6*20+ 4] = 0.00000; daa[ 6*20+ 5] = 708.60220; daa[ 7*20+ 0] = 238.61110; daa[ 7*20+ 1] = 8.77910; daa[ 7*20+ 2] = 138.53520; daa[ 7*20+ 3] = 124.09810; daa[ 7*20+ 4] = 10.72780; daa[ 7*20+ 5] = 28.15810; daa[ 7*20+ 6] = 81.19070; daa[ 8*20+ 0] = 22.81160; daa[ 8*20+ 1] = 238.31480; daa[ 8*20+ 2] = 529.00240; daa[ 8*20+ 3] = 86.82410; daa[ 8*20+ 4] = 28.27290; daa[ 8*20+ 5] = 601.16130; daa[ 8*20+ 6] = 43.94690; daa[ 8*20+ 7] = 10.68020; daa[ 9*20+ 0] = 65.34160; daa[ 9*20+ 1] = 63.26290; daa[ 9*20+ 2] = 76.80240; daa[ 9*20+ 3] = 23.92480; daa[ 9*20+ 4] = 43.80740; daa[ 9*20+ 5] = 18.03930; daa[ 9*20+ 6] = 60.95260; daa[ 9*20+ 7] = 0.00000; daa[ 9*20+ 8] = 7.69810; daa[10*20+ 0] = 40.64310; daa[10*20+ 1] = 15.49240; daa[10*20+ 2] = 34.11130; daa[10*20+ 3] = 0.00000; daa[10*20+ 4] = 0.00000; daa[10*20+ 5] = 73.07720; daa[10*20+ 6] = 11.28800; daa[10*20+ 7] = 7.15140; daa[10*20+ 8] = 44.35040; daa[10*20+ 9] = 255.66850; daa[11*20+ 0] = 25.86350; daa[11*20+ 1] = 461.01240; daa[11*20+ 2] = 314.83710; daa[11*20+ 3] = 71.69130; daa[11*20+ 4] = 0.00000; daa[11*20+ 5] = 151.90780; daa[11*20+ 6] = 83.00780; daa[11*20+ 7] = 26.76830; daa[11*20+ 8] = 27.04750; daa[11*20+ 9] = 46.08570; daa[11*20+10] = 18.06290; daa[12*20+ 0] = 71.78400; daa[12*20+ 1] = 89.63210; daa[12*20+ 2] = 0.00000; daa[12*20+ 3] = 0.00000; daa[12*20+ 4] = 0.00000; daa[12*20+ 5] = 112.74990; daa[12*20+ 6] = 30.48030; daa[12*20+ 7] = 17.03720; daa[12*20+ 8] = 0.00000; daa[12*20+ 9] = 333.27320; daa[12*20+10] = 523.01150; daa[12*20+11] = 241.17390; daa[13*20+ 0] = 18.36410; daa[13*20+ 1] = 13.69060; daa[13*20+ 2] = 13.85030; daa[13*20+ 3] = 0.00000; daa[13*20+ 4] = 0.00000; daa[13*20+ 5] = 0.00000; daa[13*20+ 6] = 0.00000; daa[13*20+ 7] = 15.34780; daa[13*20+ 8] = 47.59270; daa[13*20+ 9] = 195.19510; daa[13*20+10] = 156.51600; daa[13*20+11] = 0.00000; daa[13*20+12] = 92.18600; daa[14*20+ 0] = 248.59200; daa[14*20+ 1] = 102.83130; daa[14*20+ 2] = 41.92440; daa[14*20+ 3] = 13.39400; daa[14*20+ 4] = 18.75500; daa[14*20+ 5] = 152.61880; daa[14*20+ 6] = 50.70030; daa[14*20+ 7] = 34.71530; daa[14*20+ 8] = 93.37090; daa[14*20+ 9] = 11.91520; daa[14*20+10] = 31.62580; daa[14*20+11] = 33.54190; daa[14*20+12] = 17.02050; daa[14*20+13] = 11.05060; daa[15*20+ 0] = 405.18700; daa[15*20+ 1] = 153.15900; daa[15*20+ 2] = 488.58920; daa[15*20+ 3] = 95.60970; daa[15*20+ 4] = 159.83560; daa[15*20+ 5] = 56.18280; daa[15*20+ 6] = 79.39990; daa[15*20+ 7] = 232.22430; daa[15*20+ 8] = 35.36430; daa[15*20+ 9] = 24.79550; daa[15*20+10] = 17.14320; daa[15*20+11] = 95.45570; daa[15*20+12] = 61.99510; daa[15*20+13] = 45.99010; daa[15*20+14] = 242.72020; daa[16*20+ 0] = 368.03650; daa[16*20+ 1] = 26.57450; daa[16*20+ 2] = 227.16970; daa[16*20+ 3] = 66.09300; daa[16*20+ 4] = 16.23660; daa[16*20+ 5] = 52.56510; daa[16*20+ 6] = 34.01560; daa[16*20+ 7] = 30.66620; daa[16*20+ 8] = 22.63330; daa[16*20+ 9] = 190.07390; daa[16*20+10] = 33.10900; daa[16*20+11] = 135.05990; daa[16*20+12] = 103.15340; daa[16*20+13] = 13.66550; daa[16*20+14] = 78.28570; daa[16*20+15] = 543.66740; daa[17*20+ 0] = 0.00000; daa[17*20+ 1] = 200.13750; daa[17*20+ 2] = 22.49680; daa[17*20+ 3] = 0.00000; daa[17*20+ 4] = 0.00000; daa[17*20+ 5] = 0.00000; daa[17*20+ 6] = 0.00000; daa[17*20+ 7] = 0.00000; daa[17*20+ 8] = 27.05640; daa[17*20+ 9] = 0.00000; daa[17*20+10] = 46.17760; daa[17*20+11] = 0.00000; daa[17*20+12] = 0.00000; daa[17*20+13] = 76.23540; daa[17*20+14] = 0.00000; daa[17*20+15] = 74.08190; daa[17*20+16] = 0.00000; daa[18*20+ 0] = 24.41390; daa[18*20+ 1] = 7.80120; daa[18*20+ 2] = 94.69400; daa[18*20+ 3] = 0.00000; daa[18*20+ 4] = 95.31640; daa[18*20+ 5] = 0.00000; daa[18*20+ 6] = 21.47170; daa[18*20+ 7] = 0.00000; daa[18*20+ 8] = 126.54000; daa[18*20+ 9] = 37.48340; daa[18*20+10] = 28.65720; daa[18*20+11] = 13.21420; daa[18*20+12] = 0.00000; daa[18*20+13] = 695.26290; daa[18*20+14] = 0.00000; daa[18*20+15] = 33.62890; daa[18*20+16] = 41.78390; daa[18*20+17] = 60.80700; daa[19*20+ 0] = 205.95640; daa[19*20+ 1] = 24.03680; daa[19*20+ 2] = 15.80670; daa[19*20+ 3] = 17.83160; daa[19*20+ 4] = 48.46780; daa[19*20+ 5] = 34.69830; daa[19*20+ 6] = 36.72500; daa[19*20+ 7] = 53.81650; daa[19*20+ 8] = 43.87150; daa[19*20+ 9] = 881.00380; daa[19*20+10] = 174.51560; daa[19*20+11] = 10.38500; daa[19*20+12] = 256.59550; daa[19*20+13] = 12.36060; daa[19*20+14] = 48.50260; daa[19*20+15] = 30.38360; daa[19*20+16] = 156.19970; daa[19*20+17] = 0.00000; daa[19*20+18] = 27.93790; /* f[ 0] = 0.087127; f[ 1] = 0.040904; f[ 2] = 0.040432; f[ 3] = 0.046872; f[ 4] = 0.033474; f[ 5] = 0.038255; f[ 6] = 0.049530; f[ 7] = 0.088612; f[ 8] = 0.033619; f[ 9] = 0.036886; f[10] = 0.085357; f[11] = 0.080481; f[12] = 0.014753; f[13] = 0.039772; f[14] = 0.050680; f[15] = 0.069577; f[16] = 0.058542; f[17] = 0.010494; f[18] = 0.029916; f[19] = 0.064718; */ f[ 0] = 0.08700; f[ 1] = 0.04100; f[ 2] = 0.04000; f[ 3] = 0.04700; f[ 4] = 0.03300; f[ 5] = 0.03800; f[ 6] = 0.04900; f[ 7] = 0.08900; f[ 8] = 0.03400; f[ 9] = 0.03700; f[10] = 0.08500; f[11] = 0.08000; f[12] = 0.01500; f[13] = 0.04000; f[14] = 0.05200; f[15] = 0.06900; f[16] = 0.05900; f[17] = 0.01000; f[18] = 0.03000; f[19] = 0.06500; } break; case JTT: { daa[ 1*20+ 0] = 58.00; daa[ 2*20+ 0] = 54.00; daa[ 2*20+ 1] = 45.00; daa[ 3*20+ 0] = 81.00; daa[ 3*20+ 1] = 16.00; daa[ 3*20+ 2] = 528.00; daa[ 4*20+ 0] = 56.00; daa[ 4*20+ 1] = 113.00; daa[ 4*20+ 2] = 34.00; daa[ 4*20+ 3] = 10.00; daa[ 5*20+ 0] = 57.00; daa[ 5*20+ 1] = 310.00; daa[ 5*20+ 2] = 86.00; daa[ 5*20+ 3] = 49.00; daa[ 5*20+ 4] = 9.00; daa[ 6*20+ 0] = 105.00; daa[ 6*20+ 1] = 29.00; daa[ 6*20+ 2] = 58.00; daa[ 6*20+ 3] = 767.00; daa[ 6*20+ 4] = 5.00; daa[ 6*20+ 5] = 323.00; daa[ 7*20+ 0] = 179.00; daa[ 7*20+ 1] = 137.00; daa[ 7*20+ 2] = 81.00; daa[ 7*20+ 3] = 130.00; daa[ 7*20+ 4] = 59.00; daa[ 7*20+ 5] = 26.00; daa[ 7*20+ 6] = 119.00; daa[ 8*20+ 0] = 27.00; daa[ 8*20+ 1] = 328.00; daa[ 8*20+ 2] = 391.00; daa[ 8*20+ 3] = 112.00; daa[ 8*20+ 4] = 69.00; daa[ 8*20+ 5] = 597.00; daa[ 8*20+ 6] = 26.00; daa[ 8*20+ 7] = 23.00; daa[ 9*20+ 0] = 36.00; daa[ 9*20+ 1] = 22.00; daa[ 9*20+ 2] = 47.00; daa[ 9*20+ 3] = 11.00; daa[ 9*20+ 4] = 17.00; daa[ 9*20+ 5] = 9.00; daa[ 9*20+ 6] = 12.00; daa[ 9*20+ 7] = 6.00; daa[ 9*20+ 8] = 16.00; daa[10*20+ 0] = 30.00; daa[10*20+ 1] = 38.00; daa[10*20+ 2] = 12.00; daa[10*20+ 3] = 7.00; daa[10*20+ 4] = 23.00; daa[10*20+ 5] = 72.00; daa[10*20+ 6] = 9.00; daa[10*20+ 7] = 6.00; daa[10*20+ 8] = 56.00; daa[10*20+ 9] = 229.00; daa[11*20+ 0] = 35.00; daa[11*20+ 1] = 646.00; daa[11*20+ 2] = 263.00; daa[11*20+ 3] = 26.00; daa[11*20+ 4] = 7.00; daa[11*20+ 5] = 292.00; daa[11*20+ 6] = 181.00; daa[11*20+ 7] = 27.00; daa[11*20+ 8] = 45.00; daa[11*20+ 9] = 21.00; daa[11*20+10] = 14.00; daa[12*20+ 0] = 54.00; daa[12*20+ 1] = 44.00; daa[12*20+ 2] = 30.00; daa[12*20+ 3] = 15.00; daa[12*20+ 4] = 31.00; daa[12*20+ 5] = 43.00; daa[12*20+ 6] = 18.00; daa[12*20+ 7] = 14.00; daa[12*20+ 8] = 33.00; daa[12*20+ 9] = 479.00; daa[12*20+10] = 388.00; daa[12*20+11] = 65.00; daa[13*20+ 0] = 15.00; daa[13*20+ 1] = 5.00; daa[13*20+ 2] = 10.00; daa[13*20+ 3] = 4.00; daa[13*20+ 4] = 78.00; daa[13*20+ 5] = 4.00; daa[13*20+ 6] = 5.00; daa[13*20+ 7] = 5.00; daa[13*20+ 8] = 40.00; daa[13*20+ 9] = 89.00; daa[13*20+10] = 248.00; daa[13*20+11] = 4.00; daa[13*20+12] = 43.00; daa[14*20+ 0] = 194.00; daa[14*20+ 1] = 74.00; daa[14*20+ 2] = 15.00; daa[14*20+ 3] = 15.00; daa[14*20+ 4] = 14.00; daa[14*20+ 5] = 164.00; daa[14*20+ 6] = 18.00; daa[14*20+ 7] = 24.00; daa[14*20+ 8] = 115.00; daa[14*20+ 9] = 10.00; daa[14*20+10] = 102.00; daa[14*20+11] = 21.00; daa[14*20+12] = 16.00; daa[14*20+13] = 17.00; daa[15*20+ 0] = 378.00; daa[15*20+ 1] = 101.00; daa[15*20+ 2] = 503.00; daa[15*20+ 3] = 59.00; daa[15*20+ 4] = 223.00; daa[15*20+ 5] = 53.00; daa[15*20+ 6] = 30.00; daa[15*20+ 7] = 201.00; daa[15*20+ 8] = 73.00; daa[15*20+ 9] = 40.00; daa[15*20+10] = 59.00; daa[15*20+11] = 47.00; daa[15*20+12] = 29.00; daa[15*20+13] = 92.00; daa[15*20+14] = 285.00; daa[16*20+ 0] = 475.00; daa[16*20+ 1] = 64.00; daa[16*20+ 2] = 232.00; daa[16*20+ 3] = 38.00; daa[16*20+ 4] = 42.00; daa[16*20+ 5] = 51.00; daa[16*20+ 6] = 32.00; daa[16*20+ 7] = 33.00; daa[16*20+ 8] = 46.00; daa[16*20+ 9] = 245.00; daa[16*20+10] = 25.00; daa[16*20+11] = 103.00; daa[16*20+12] = 226.00; daa[16*20+13] = 12.00; daa[16*20+14] = 118.00; daa[16*20+15] = 477.00; daa[17*20+ 0] = 9.00; daa[17*20+ 1] = 126.00; daa[17*20+ 2] = 8.00; daa[17*20+ 3] = 4.00; daa[17*20+ 4] = 115.00; daa[17*20+ 5] = 18.00; daa[17*20+ 6] = 10.00; daa[17*20+ 7] = 55.00; daa[17*20+ 8] = 8.00; daa[17*20+ 9] = 9.00; daa[17*20+10] = 52.00; daa[17*20+11] = 10.00; daa[17*20+12] = 24.00; daa[17*20+13] = 53.00; daa[17*20+14] = 6.00; daa[17*20+15] = 35.00; daa[17*20+16] = 12.00; daa[18*20+ 0] = 11.00; daa[18*20+ 1] = 20.00; daa[18*20+ 2] = 70.00; daa[18*20+ 3] = 46.00; daa[18*20+ 4] = 209.00; daa[18*20+ 5] = 24.00; daa[18*20+ 6] = 7.00; daa[18*20+ 7] = 8.00; daa[18*20+ 8] = 573.00; daa[18*20+ 9] = 32.00; daa[18*20+10] = 24.00; daa[18*20+11] = 8.00; daa[18*20+12] = 18.00; daa[18*20+13] = 536.00; daa[18*20+14] = 10.00; daa[18*20+15] = 63.00; daa[18*20+16] = 21.00; daa[18*20+17] = 71.00; daa[19*20+ 0] = 298.00; daa[19*20+ 1] = 17.00; daa[19*20+ 2] = 16.00; daa[19*20+ 3] = 31.00; daa[19*20+ 4] = 62.00; daa[19*20+ 5] = 20.00; daa[19*20+ 6] = 45.00; daa[19*20+ 7] = 47.00; daa[19*20+ 8] = 11.00; daa[19*20+ 9] = 961.00; daa[19*20+10] = 180.00; daa[19*20+11] = 14.00; daa[19*20+12] = 323.00; daa[19*20+13] = 62.00; daa[19*20+14] = 23.00; daa[19*20+15] = 38.00; daa[19*20+16] = 112.00; daa[19*20+17] = 25.00; daa[19*20+18] = 16.00; /* f[ 0] = 0.076748; f[ 1] = 0.051691; f[ 2] = 0.042645; f[ 3] = 0.051544; f[ 4] = 0.019803; f[ 5] = 0.040752; f[ 6] = 0.061830; f[ 7] = 0.073152; f[ 8] = 0.022944; f[ 9] = 0.053761; f[10] = 0.091904; f[11] = 0.058676; f[12] = 0.023826; f[13] = 0.040126; f[14] = 0.050901; f[15] = 0.068765; f[16] = 0.058565; f[17] = 0.014261; f[18] = 0.032102; f[19] = 0.066005; */ f[ 0] = 0.07700; f[ 1] = 0.05200; f[ 2] = 0.04200; f[ 3] = 0.05100; f[ 4] = 0.02000; f[ 5] = 0.04100; f[ 6] = 0.06200; f[ 7] = 0.07300; f[ 8] = 0.02300; f[ 9] = 0.05400; f[10] = 0.09200; f[11] = 0.05900; f[12] = 0.02400; f[13] = 0.04000; f[14] = 0.05100; f[15] = 0.06900; f[16] = 0.05800; f[17] = 0.01400; f[18] = 0.03200; f[19] = 0.06600; } break; case MTREV: { daa[ 1*20+ 0] = 23.18; daa[ 2*20+ 0] = 26.95; daa[ 2*20+ 1] = 13.24; daa[ 3*20+ 0] = 17.67; daa[ 3*20+ 1] = 1.90; daa[ 3*20+ 2] = 794.38; daa[ 4*20+ 0] = 59.93; daa[ 4*20+ 1] = 103.33; daa[ 4*20+ 2] = 58.94; daa[ 4*20+ 3] = 1.90; daa[ 5*20+ 0] = 1.90; daa[ 5*20+ 1] = 220.99; daa[ 5*20+ 2] = 173.56; daa[ 5*20+ 3] = 55.28; daa[ 5*20+ 4] = 75.24; daa[ 6*20+ 0] = 9.77; daa[ 6*20+ 1] = 1.90; daa[ 6*20+ 2] = 63.05; daa[ 6*20+ 3] = 583.55; daa[ 6*20+ 4] = 1.90; daa[ 6*20+ 5] = 313.56; daa[ 7*20+ 0] = 120.71; daa[ 7*20+ 1] = 23.03; daa[ 7*20+ 2] = 53.30; daa[ 7*20+ 3] = 56.77; daa[ 7*20+ 4] = 30.71; daa[ 7*20+ 5] = 6.75; daa[ 7*20+ 6] = 28.28; daa[ 8*20+ 0] = 13.90; daa[ 8*20+ 1] = 165.23; daa[ 8*20+ 2] = 496.13; daa[ 8*20+ 3] = 113.99; daa[ 8*20+ 4] = 141.49; daa[ 8*20+ 5] = 582.40; daa[ 8*20+ 6] = 49.12; daa[ 8*20+ 7] = 1.90; daa[ 9*20+ 0] = 96.49; daa[ 9*20+ 1] = 1.90; daa[ 9*20+ 2] = 27.10; daa[ 9*20+ 3] = 4.34; daa[ 9*20+ 4] = 62.73; daa[ 9*20+ 5] = 8.34; daa[ 9*20+ 6] = 3.31; daa[ 9*20+ 7] = 5.98; daa[ 9*20+ 8] = 12.26; daa[10*20+ 0] = 25.46; daa[10*20+ 1] = 15.58; daa[10*20+ 2] = 15.16; daa[10*20+ 3] = 1.90; daa[10*20+ 4] = 25.65; daa[10*20+ 5] = 39.70; daa[10*20+ 6] = 1.90; daa[10*20+ 7] = 2.41; daa[10*20+ 8] = 11.49; daa[10*20+ 9] = 329.09; daa[11*20+ 0] = 8.36; daa[11*20+ 1] = 141.40; daa[11*20+ 2] = 608.70; daa[11*20+ 3] = 2.31; daa[11*20+ 4] = 1.90; daa[11*20+ 5] = 465.58; daa[11*20+ 6] = 313.86; daa[11*20+ 7] = 22.73; daa[11*20+ 8] = 127.67; daa[11*20+ 9] = 19.57; daa[11*20+10] = 14.88; daa[12*20+ 0] = 141.88; daa[12*20+ 1] = 1.90; daa[12*20+ 2] = 65.41; daa[12*20+ 3] = 1.90; daa[12*20+ 4] = 6.18; daa[12*20+ 5] = 47.37; daa[12*20+ 6] = 1.90; daa[12*20+ 7] = 1.90; daa[12*20+ 8] = 11.97; daa[12*20+ 9] = 517.98; daa[12*20+10] = 537.53; daa[12*20+11] = 91.37; daa[13*20+ 0] = 6.37; daa[13*20+ 1] = 4.69; daa[13*20+ 2] = 15.20; daa[13*20+ 3] = 4.98; daa[13*20+ 4] = 70.80; daa[13*20+ 5] = 19.11; daa[13*20+ 6] = 2.67; daa[13*20+ 7] = 1.90; daa[13*20+ 8] = 48.16; daa[13*20+ 9] = 84.67; daa[13*20+10] = 216.06; daa[13*20+11] = 6.44; daa[13*20+12] = 90.82; daa[14*20+ 0] = 54.31; daa[14*20+ 1] = 23.64; daa[14*20+ 2] = 73.31; daa[14*20+ 3] = 13.43; daa[14*20+ 4] = 31.26; daa[14*20+ 5] = 137.29; daa[14*20+ 6] = 12.83; daa[14*20+ 7] = 1.90; daa[14*20+ 8] = 60.97; daa[14*20+ 9] = 20.63; daa[14*20+10] = 40.10; daa[14*20+11] = 50.10; daa[14*20+12] = 18.84; daa[14*20+13] = 17.31; daa[15*20+ 0] = 387.86; daa[15*20+ 1] = 6.04; daa[15*20+ 2] = 494.39; daa[15*20+ 3] = 69.02; daa[15*20+ 4] = 277.05; daa[15*20+ 5] = 54.11; daa[15*20+ 6] = 54.71; daa[15*20+ 7] = 125.93; daa[15*20+ 8] = 77.46; daa[15*20+ 9] = 47.70; daa[15*20+10] = 73.61; daa[15*20+11] = 105.79; daa[15*20+12] = 111.16; daa[15*20+13] = 64.29; daa[15*20+14] = 169.90; daa[16*20+ 0] = 480.72; daa[16*20+ 1] = 2.08; daa[16*20+ 2] = 238.46; daa[16*20+ 3] = 28.01; daa[16*20+ 4] = 179.97; daa[16*20+ 5] = 94.93; daa[16*20+ 6] = 14.82; daa[16*20+ 7] = 11.17; daa[16*20+ 8] = 44.78; daa[16*20+ 9] = 368.43; daa[16*20+10] = 126.40; daa[16*20+11] = 136.33; daa[16*20+12] = 528.17; daa[16*20+13] = 33.85; daa[16*20+14] = 128.22; daa[16*20+15] = 597.21; daa[17*20+ 0] = 1.90; daa[17*20+ 1] = 21.95; daa[17*20+ 2] = 10.68; daa[17*20+ 3] = 19.86; daa[17*20+ 4] = 33.60; daa[17*20+ 5] = 1.90; daa[17*20+ 6] = 1.90; daa[17*20+ 7] = 10.92; daa[17*20+ 8] = 7.08; daa[17*20+ 9] = 1.90; daa[17*20+10] = 32.44; daa[17*20+11] = 24.00; daa[17*20+12] = 21.71; daa[17*20+13] = 7.84; daa[17*20+14] = 4.21; daa[17*20+15] = 38.58; daa[17*20+16] = 9.99; daa[18*20+ 0] = 6.48; daa[18*20+ 1] = 1.90; daa[18*20+ 2] = 191.36; daa[18*20+ 3] = 21.21; daa[18*20+ 4] = 254.77; daa[18*20+ 5] = 38.82; daa[18*20+ 6] = 13.12; daa[18*20+ 7] = 3.21; daa[18*20+ 8] = 670.14; daa[18*20+ 9] = 25.01; daa[18*20+10] = 44.15; daa[18*20+11] = 51.17; daa[18*20+12] = 39.96; daa[18*20+13] = 465.58; daa[18*20+14] = 16.21; daa[18*20+15] = 64.92; daa[18*20+16] = 38.73; daa[18*20+17] = 26.25; daa[19*20+ 0] = 195.06; daa[19*20+ 1] = 7.64; daa[19*20+ 2] = 1.90; daa[19*20+ 3] = 1.90; daa[19*20+ 4] = 1.90; daa[19*20+ 5] = 19.00; daa[19*20+ 6] = 21.14; daa[19*20+ 7] = 2.53; daa[19*20+ 8] = 1.90; daa[19*20+ 9] = 1222.94; daa[19*20+10] = 91.67; daa[19*20+11] = 1.90; daa[19*20+12] = 387.54; daa[19*20+13] = 6.35; daa[19*20+14] = 8.23; daa[19*20+15] = 1.90; daa[19*20+16] = 204.54; daa[19*20+17] = 5.37; daa[19*20+18] = 1.90; f[ 0] = 0.072000; f[ 1] = 0.019000; f[ 2] = 0.039000; f[ 3] = 0.019000; f[ 4] = 0.006000; f[ 5] = 0.025000; f[ 6] = 0.024000; f[ 7] = 0.056000; f[ 8] = 0.028000; f[ 9] = 0.088000; f[10] = 0.169000; f[11] = 0.023000; f[12] = 0.054000; f[13] = 0.061000; f[14] = 0.054000; f[15] = 0.072000; f[16] = 0.086000; f[17] = 0.029000; f[18] = 0.033000; f[19] = 0.043000; } break; case WAG: { daa[ 1*20+ 0] = 55.15710; daa[ 2*20+ 0] = 50.98480; daa[ 2*20+ 1] = 63.53460; daa[ 3*20+ 0] = 73.89980; daa[ 3*20+ 1] = 14.73040; daa[ 3*20+ 2] = 542.94200; daa[ 4*20+ 0] = 102.70400; daa[ 4*20+ 1] = 52.81910; daa[ 4*20+ 2] = 26.52560; daa[ 4*20+ 3] = 3.02949; daa[ 5*20+ 0] = 90.85980; daa[ 5*20+ 1] = 303.55000; daa[ 5*20+ 2] = 154.36400; daa[ 5*20+ 3] = 61.67830; daa[ 5*20+ 4] = 9.88179; daa[ 6*20+ 0] = 158.28500; daa[ 6*20+ 1] = 43.91570; daa[ 6*20+ 2] = 94.71980; daa[ 6*20+ 3] = 617.41600; daa[ 6*20+ 4] = 2.13520; daa[ 6*20+ 5] = 546.94700; daa[ 7*20+ 0] = 141.67200; daa[ 7*20+ 1] = 58.46650; daa[ 7*20+ 2] = 112.55600; daa[ 7*20+ 3] = 86.55840; daa[ 7*20+ 4] = 30.66740; daa[ 7*20+ 5] = 33.00520; daa[ 7*20+ 6] = 56.77170; daa[ 8*20+ 0] = 31.69540; daa[ 8*20+ 1] = 213.71500; daa[ 8*20+ 2] = 395.62900; daa[ 8*20+ 3] = 93.06760; daa[ 8*20+ 4] = 24.89720; daa[ 8*20+ 5] = 429.41100; daa[ 8*20+ 6] = 57.00250; daa[ 8*20+ 7] = 24.94100; daa[ 9*20+ 0] = 19.33350; daa[ 9*20+ 1] = 18.69790; daa[ 9*20+ 2] = 55.42360; daa[ 9*20+ 3] = 3.94370; daa[ 9*20+ 4] = 17.01350; daa[ 9*20+ 5] = 11.39170; daa[ 9*20+ 6] = 12.73950; daa[ 9*20+ 7] = 3.04501; daa[ 9*20+ 8] = 13.81900; daa[10*20+ 0] = 39.79150; daa[10*20+ 1] = 49.76710; daa[10*20+ 2] = 13.15280; daa[10*20+ 3] = 8.48047; daa[10*20+ 4] = 38.42870; daa[10*20+ 5] = 86.94890; daa[10*20+ 6] = 15.42630; daa[10*20+ 7] = 6.13037; daa[10*20+ 8] = 49.94620; daa[10*20+ 9] = 317.09700; daa[11*20+ 0] = 90.62650; daa[11*20+ 1] = 535.14200; daa[11*20+ 2] = 301.20100; daa[11*20+ 3] = 47.98550; daa[11*20+ 4] = 7.40339; daa[11*20+ 5] = 389.49000; daa[11*20+ 6] = 258.44300; daa[11*20+ 7] = 37.35580; daa[11*20+ 8] = 89.04320; daa[11*20+ 9] = 32.38320; daa[11*20+10] = 25.75550; daa[12*20+ 0] = 89.34960; daa[12*20+ 1] = 68.31620; daa[12*20+ 2] = 19.82210; daa[12*20+ 3] = 10.37540; daa[12*20+ 4] = 39.04820; daa[12*20+ 5] = 154.52600; daa[12*20+ 6] = 31.51240; daa[12*20+ 7] = 17.41000; daa[12*20+ 8] = 40.41410; daa[12*20+ 9] = 425.74600; daa[12*20+10] = 485.40200; daa[12*20+11] = 93.42760; daa[13*20+ 0] = 21.04940; daa[13*20+ 1] = 10.27110; daa[13*20+ 2] = 9.61621; daa[13*20+ 3] = 4.67304; daa[13*20+ 4] = 39.80200; daa[13*20+ 5] = 9.99208; daa[13*20+ 6] = 8.11339; daa[13*20+ 7] = 4.99310; daa[13*20+ 8] = 67.93710; daa[13*20+ 9] = 105.94700; daa[13*20+10] = 211.51700; daa[13*20+11] = 8.88360; daa[13*20+12] = 119.06300; daa[14*20+ 0] = 143.85500; daa[14*20+ 1] = 67.94890; daa[14*20+ 2] = 19.50810; daa[14*20+ 3] = 42.39840; daa[14*20+ 4] = 10.94040; daa[14*20+ 5] = 93.33720; daa[14*20+ 6] = 68.23550; daa[14*20+ 7] = 24.35700; daa[14*20+ 8] = 69.61980; daa[14*20+ 9] = 9.99288; daa[14*20+10] = 41.58440; daa[14*20+11] = 55.68960; daa[14*20+12] = 17.13290; daa[14*20+13] = 16.14440; daa[15*20+ 0] = 337.07900; daa[15*20+ 1] = 122.41900; daa[15*20+ 2] = 397.42300; daa[15*20+ 3] = 107.17600; daa[15*20+ 4] = 140.76600; daa[15*20+ 5] = 102.88700; daa[15*20+ 6] = 70.49390; daa[15*20+ 7] = 134.18200; daa[15*20+ 8] = 74.01690; daa[15*20+ 9] = 31.94400; daa[15*20+10] = 34.47390; daa[15*20+11] = 96.71300; daa[15*20+12] = 49.39050; daa[15*20+13] = 54.59310; daa[15*20+14] = 161.32800; daa[16*20+ 0] = 212.11100; daa[16*20+ 1] = 55.44130; daa[16*20+ 2] = 203.00600; daa[16*20+ 3] = 37.48660; daa[16*20+ 4] = 51.29840; daa[16*20+ 5] = 85.79280; daa[16*20+ 6] = 82.27650; daa[16*20+ 7] = 22.58330; daa[16*20+ 8] = 47.33070; daa[16*20+ 9] = 145.81600; daa[16*20+10] = 32.66220; daa[16*20+11] = 138.69800; daa[16*20+12] = 151.61200; daa[16*20+13] = 17.19030; daa[16*20+14] = 79.53840; daa[16*20+15] = 437.80200; daa[17*20+ 0] = 11.31330; daa[17*20+ 1] = 116.39200; daa[17*20+ 2] = 7.19167; daa[17*20+ 3] = 12.97670; daa[17*20+ 4] = 71.70700; daa[17*20+ 5] = 21.57370; daa[17*20+ 6] = 15.65570; daa[17*20+ 7] = 33.69830; daa[17*20+ 8] = 26.25690; daa[17*20+ 9] = 21.24830; daa[17*20+10] = 66.53090; daa[17*20+11] = 13.75050; daa[17*20+12] = 51.57060; daa[17*20+13] = 152.96400; daa[17*20+14] = 13.94050; daa[17*20+15] = 52.37420; daa[17*20+16] = 11.08640; daa[18*20+ 0] = 24.07350; daa[18*20+ 1] = 38.15330; daa[18*20+ 2] = 108.60000; daa[18*20+ 3] = 32.57110; daa[18*20+ 4] = 54.38330; daa[18*20+ 5] = 22.77100; daa[18*20+ 6] = 19.63030; daa[18*20+ 7] = 10.36040; daa[18*20+ 8] = 387.34400; daa[18*20+ 9] = 42.01700; daa[18*20+10] = 39.86180; daa[18*20+11] = 13.32640; daa[18*20+12] = 42.84370; daa[18*20+13] = 645.42800; daa[18*20+14] = 21.60460; daa[18*20+15] = 78.69930; daa[18*20+16] = 29.11480; daa[18*20+17] = 248.53900; daa[19*20+ 0] = 200.60100; daa[19*20+ 1] = 25.18490; daa[19*20+ 2] = 19.62460; daa[19*20+ 3] = 15.23350; daa[19*20+ 4] = 100.21400; daa[19*20+ 5] = 30.12810; daa[19*20+ 6] = 58.87310; daa[19*20+ 7] = 18.72470; daa[19*20+ 8] = 11.83580; daa[19*20+ 9] = 782.13000; daa[19*20+10] = 180.03400; daa[19*20+11] = 30.54340; daa[19*20+12] = 205.84500; daa[19*20+13] = 64.98920; daa[19*20+14] = 31.48870; daa[19*20+15] = 23.27390; daa[19*20+16] = 138.82300; daa[19*20+17] = 36.53690; daa[19*20+18] = 31.47300; /* f[0] = 0.0866279; f[1] = 0.043972; f[2] = 0.0390894; f[3] = 0.0570451; f[4] = 0.0193078; f[5] = 0.0367281; f[6] = 0.0580589; f[7] = 0.0832518; f[8] = 0.0244313; f[9] = 0.048466; f[10] = 0.086209; f[11] = 0.0620286; f[12] = 0.0195027; f[13] = 0.0384319; f[14] = 0.0457631; f[15] = 0.0695179; f[16] = 0.0610127; f[17] = 0.0143859; f[18] = 0.0352742; f[19] = 0.0708956; */ f[0] = 0.08700; f[1] = 0.04400; f[2] = 0.03900; f[3] = 0.05700; f[4] = 0.01900; f[5] = 0.03700; f[6] = 0.05800; f[7] = 0.08300; f[8] = 0.02400; f[9] = 0.04900; f[10] = 0.08600; f[11] = 0.06200; f[12] = 0.02000; f[13] = 0.03800; f[14] = 0.04600; f[15] = 0.07000; f[16] = 0.06100; f[17] = 0.01400; f[18] = 0.03500; f[19] = 0.07100; } break; case RTREV: { daa[1*20+0]= 34; daa[2*20+0]= 51; daa[2*20+1]= 35; daa[3*20+0]= 10; daa[3*20+1]= 30; daa[3*20+2]= 384; daa[4*20+0]= 439; daa[4*20+1]= 92; daa[4*20+2]= 128; daa[4*20+3]= 1; daa[5*20+0]= 32; daa[5*20+1]= 221; daa[5*20+2]= 236; daa[5*20+3]= 78; daa[5*20+4]= 70; daa[6*20+0]= 81; daa[6*20+1]= 10; daa[6*20+2]= 79; daa[6*20+3]= 542; daa[6*20+4]= 1; daa[6*20+5]= 372; daa[7*20+0]= 135; daa[7*20+1]= 41; daa[7*20+2]= 94; daa[7*20+3]= 61; daa[7*20+4]= 48; daa[7*20+5]= 18; daa[7*20+6]= 70; daa[8*20+0]= 30; daa[8*20+1]= 90; daa[8*20+2]= 320; daa[8*20+3]= 91; daa[8*20+4]= 124; daa[8*20+5]= 387; daa[8*20+6]= 34; daa[8*20+7]= 68; daa[9*20+0]= 1; daa[9*20+1]= 24; daa[9*20+2]= 35; daa[9*20+3]= 1; daa[9*20+4]= 104; daa[9*20+5]= 33; daa[9*20+6]= 1; daa[9*20+7]= 1; daa[9*20+8]= 34; daa[10*20+0]= 45; daa[10*20+1]= 18; daa[10*20+2]= 15; daa[10*20+3]= 5; daa[10*20+4]= 110; daa[10*20+5]= 54; daa[10*20+6]= 21; daa[10*20+7]= 3; daa[10*20+8]= 51; daa[10*20+9]= 385; daa[11*20+0]= 38; daa[11*20+1]= 593; daa[11*20+2]= 123; daa[11*20+3]= 20; daa[11*20+4]= 16; daa[11*20+5]= 309; daa[11*20+6]= 141; daa[11*20+7]= 30; daa[11*20+8]= 76; daa[11*20+9]= 34; daa[11*20+10]= 23; daa[12*20+0]= 235; daa[12*20+1]= 57; daa[12*20+2]= 1; daa[12*20+3]= 1; daa[12*20+4]= 156; daa[12*20+5]= 158; daa[12*20+6]= 1; daa[12*20+7]= 37; daa[12*20+8]= 116; daa[12*20+9]= 375; daa[12*20+10]= 581; daa[12*20+11]= 134; daa[13*20+0]= 1; daa[13*20+1]= 7; daa[13*20+2]= 49; daa[13*20+3]= 1; daa[13*20+4]= 70; daa[13*20+5]= 1; daa[13*20+6]= 1; daa[13*20+7]= 7; daa[13*20+8]= 141; daa[13*20+9]= 64; daa[13*20+10]= 179; daa[13*20+11]= 14; daa[13*20+12]= 247; daa[14*20+0]= 97; daa[14*20+1]= 24; daa[14*20+2]= 33; daa[14*20+3]= 55; daa[14*20+4]= 1; daa[14*20+5]= 68; daa[14*20+6]= 52; daa[14*20+7]= 17; daa[14*20+8]= 44; daa[14*20+9]= 10; daa[14*20+10]= 22; daa[14*20+11]= 43; daa[14*20+12]= 1; daa[14*20+13]= 11; daa[15*20+0]= 460; daa[15*20+1]= 102; daa[15*20+2]= 294; daa[15*20+3]= 136; daa[15*20+4]= 75; daa[15*20+5]= 225; daa[15*20+6]= 95; daa[15*20+7]= 152; daa[15*20+8]= 183; daa[15*20+9]= 4; daa[15*20+10]= 24; daa[15*20+11]= 77; daa[15*20+12]= 1; daa[15*20+13]= 20; daa[15*20+14]= 134; daa[16*20+0]= 258; daa[16*20+1]= 64; daa[16*20+2]= 148; daa[16*20+3]= 55; daa[16*20+4]= 117; daa[16*20+5]= 146; daa[16*20+6]= 82; daa[16*20+7]= 7; daa[16*20+8]= 49; daa[16*20+9]= 72; daa[16*20+10]= 25; daa[16*20+11]= 110; daa[16*20+12]= 131; daa[16*20+13]= 69; daa[16*20+14]= 62; daa[16*20+15]= 671; daa[17*20+0]= 5; daa[17*20+1]= 13; daa[17*20+2]= 16; daa[17*20+3]= 1; daa[17*20+4]= 55; daa[17*20+5]= 10; daa[17*20+6]= 17; daa[17*20+7]= 23; daa[17*20+8]= 48; daa[17*20+9]= 39; daa[17*20+10]= 47; daa[17*20+11]= 6; daa[17*20+12]= 111; daa[17*20+13]= 182; daa[17*20+14]= 9; daa[17*20+15]= 14; daa[17*20+16]= 1; daa[18*20+0]= 55; daa[18*20+1]= 47; daa[18*20+2]= 28; daa[18*20+3]= 1; daa[18*20+4]= 131; daa[18*20+5]= 45; daa[18*20+6]= 1; daa[18*20+7]= 21; daa[18*20+8]= 307; daa[18*20+9]= 26; daa[18*20+10]= 64; daa[18*20+11]= 1; daa[18*20+12]= 74; daa[18*20+13]= 1017; daa[18*20+14]= 14; daa[18*20+15]= 31; daa[18*20+16]= 34; daa[18*20+17]= 176; daa[19*20+0]= 197; daa[19*20+1]= 29; daa[19*20+2]= 21; daa[19*20+3]= 6; daa[19*20+4]= 295; daa[19*20+5]= 36; daa[19*20+6]= 35; daa[19*20+7]= 3; daa[19*20+8]= 1; daa[19*20+9]= 1048; daa[19*20+10]= 112; daa[19*20+11]= 19; daa[19*20+12]= 236; daa[19*20+13]= 92; daa[19*20+14]= 25; daa[19*20+15]= 39; daa[19*20+16]= 196; daa[19*20+17]= 26; daa[19*20+18]= 59; f[0]= 0.0646; f[1]= 0.0453; f[2]= 0.0376; f[3]= 0.0422; f[4]= 0.0114; f[5]= 0.0606; f[6]= 0.0607; f[7]= 0.0639; f[8]= 0.0273; f[9]= 0.0679; f[10]= 0.1018; f[11]= 0.0751; f[12]= 0.015; f[13]= 0.0287; f[14]= 0.0681; f[15]= 0.0488; f[16]= 0.0622; f[17]= 0.0251; f[18]= 0.0318; f[19]= 0.0619; } break; case CPREV: { daa[1*20+0]= 105; daa[2*20+0]= 227; daa[2*20+1]= 357; daa[3*20+0]= 175; daa[3*20+1]= 43; daa[3*20+2]= 4435; daa[4*20+0]= 669; daa[4*20+1]= 823; daa[4*20+2]= 538; daa[4*20+3]= 10; daa[5*20+0]= 157; daa[5*20+1]= 1745; daa[5*20+2]= 768; daa[5*20+3]= 400; daa[5*20+4]= 10; daa[6*20+0]= 499; daa[6*20+1]= 152; daa[6*20+2]= 1055; daa[6*20+3]= 3691; daa[6*20+4]= 10; daa[6*20+5]= 3122; daa[7*20+0]= 665; daa[7*20+1]= 243; daa[7*20+2]= 653; daa[7*20+3]= 431; daa[7*20+4]= 303; daa[7*20+5]= 133; daa[7*20+6]= 379; daa[8*20+0]= 66; daa[8*20+1]= 715; daa[8*20+2]= 1405; daa[8*20+3]= 331; daa[8*20+4]= 441; daa[8*20+5]= 1269; daa[8*20+6]= 162; daa[8*20+7]= 19; daa[9*20+0]= 145; daa[9*20+1]= 136; daa[9*20+2]= 168; daa[9*20+3]= 10; daa[9*20+4]= 280; daa[9*20+5]= 92; daa[9*20+6]= 148; daa[9*20+7]= 40; daa[9*20+8]= 29; daa[10*20+0]= 197; daa[10*20+1]= 203; daa[10*20+2]= 113; daa[10*20+3]= 10; daa[10*20+4]= 396; daa[10*20+5]= 286; daa[10*20+6]= 82; daa[10*20+7]= 20; daa[10*20+8]= 66; daa[10*20+9]= 1745; daa[11*20+0]= 236; daa[11*20+1]= 4482; daa[11*20+2]= 2430; daa[11*20+3]= 412; daa[11*20+4]= 48; daa[11*20+5]= 3313; daa[11*20+6]= 2629; daa[11*20+7]= 263; daa[11*20+8]= 305; daa[11*20+9]= 345; daa[11*20+10]= 218; daa[12*20+0]= 185; daa[12*20+1]= 125; daa[12*20+2]= 61; daa[12*20+3]= 47; daa[12*20+4]= 159; daa[12*20+5]= 202; daa[12*20+6]= 113; daa[12*20+7]= 21; daa[12*20+8]= 10; daa[12*20+9]= 1772; daa[12*20+10]= 1351; daa[12*20+11]= 193; daa[13*20+0]= 68; daa[13*20+1]= 53; daa[13*20+2]= 97; daa[13*20+3]= 22; daa[13*20+4]= 726; daa[13*20+5]= 10; daa[13*20+6]= 145; daa[13*20+7]= 25; daa[13*20+8]= 127; daa[13*20+9]= 454; daa[13*20+10]= 1268; daa[13*20+11]= 72; daa[13*20+12]= 327; daa[14*20+0]= 490; daa[14*20+1]= 87; daa[14*20+2]= 173; daa[14*20+3]= 170; daa[14*20+4]= 285; daa[14*20+5]= 323; daa[14*20+6]= 185; daa[14*20+7]= 28; daa[14*20+8]= 152; daa[14*20+9]= 117; daa[14*20+10]= 219; daa[14*20+11]= 302; daa[14*20+12]= 100; daa[14*20+13]= 43; daa[15*20+0]= 2440; daa[15*20+1]= 385; daa[15*20+2]= 2085; daa[15*20+3]= 590; daa[15*20+4]= 2331; daa[15*20+5]= 396; daa[15*20+6]= 568; daa[15*20+7]= 691; daa[15*20+8]= 303; daa[15*20+9]= 216; daa[15*20+10]= 516; daa[15*20+11]= 868; daa[15*20+12]= 93; daa[15*20+13]= 487; daa[15*20+14]= 1202; daa[16*20+0]= 1340; daa[16*20+1]= 314; daa[16*20+2]= 1393; daa[16*20+3]= 266; daa[16*20+4]= 576; daa[16*20+5]= 241; daa[16*20+6]= 369; daa[16*20+7]= 92; daa[16*20+8]= 32; daa[16*20+9]= 1040; daa[16*20+10]= 156; daa[16*20+11]= 918; daa[16*20+12]= 645; daa[16*20+13]= 148; daa[16*20+14]= 260; daa[16*20+15]= 2151; daa[17*20+0]= 14; daa[17*20+1]= 230; daa[17*20+2]= 40; daa[17*20+3]= 18; daa[17*20+4]= 435; daa[17*20+5]= 53; daa[17*20+6]= 63; daa[17*20+7]= 82; daa[17*20+8]= 69; daa[17*20+9]= 42; daa[17*20+10]= 159; daa[17*20+11]= 10; daa[17*20+12]= 86; daa[17*20+13]= 468; daa[17*20+14]= 49; daa[17*20+15]= 73; daa[17*20+16]= 29; daa[18*20+0]= 56; daa[18*20+1]= 323; daa[18*20+2]= 754; daa[18*20+3]= 281; daa[18*20+4]= 1466; daa[18*20+5]= 391; daa[18*20+6]= 142; daa[18*20+7]= 10; daa[18*20+8]= 1971; daa[18*20+9]= 89; daa[18*20+10]= 189; daa[18*20+11]= 247; daa[18*20+12]= 215; daa[18*20+13]= 2370; daa[18*20+14]= 97; daa[18*20+15]= 522; daa[18*20+16]= 71; daa[18*20+17]= 346; daa[19*20+0]= 968; daa[19*20+1]= 92; daa[19*20+2]= 83; daa[19*20+3]= 75; daa[19*20+4]= 592; daa[19*20+5]= 54; daa[19*20+6]= 200; daa[19*20+7]= 91; daa[19*20+8]= 25; daa[19*20+9]= 4797; daa[19*20+10]= 865; daa[19*20+11]= 249; daa[19*20+12]= 475; daa[19*20+13]= 317; daa[19*20+14]= 122; daa[19*20+15]= 167; daa[19*20+16]= 760; daa[19*20+17]= 10; daa[19*20+18]= 119; f[0]= 0.076; f[1]= 0.062; f[2]= 0.041; f[3]= 0.037; f[4]= 0.009; f[5]= 0.038; f[6]= 0.049; f[7]= 0.084; f[8]= 0.025; f[9]= 0.081; f[10]= 0.101; f[11]= 0.05; f[12]= 0.022; f[13]= 0.051; f[14]= 0.043; f[15]= 0.062; f[16]= 0.054; f[17]= 0.018; f[18]= 0.031; f[19]= 0.066; } break; case VT: { daa[1*20+0]= 0.233108; daa[2*20+0]= 0.199097; daa[2*20+1]= 0.210797; daa[3*20+0]= 0.265145; daa[3*20+1]= 0.105191; daa[3*20+2]= 0.883422; daa[4*20+0]= 0.227333; daa[4*20+1]= 0.031726; daa[4*20+2]= 0.027495; daa[4*20+3]= 0.010313; daa[5*20+0]= 0.310084; daa[5*20+1]= 0.493763; daa[5*20+2]= 0.2757; daa[5*20+3]= 0.205842; daa[5*20+4]= 0.004315; daa[6*20+0]= 0.567957; daa[6*20+1]= 0.25524; daa[6*20+2]= 0.270417; daa[6*20+3]= 1.599461; daa[6*20+4]= 0.005321; daa[6*20+5]= 0.960976; daa[7*20+0]= 0.876213; daa[7*20+1]= 0.156945; daa[7*20+2]= 0.362028; daa[7*20+3]= 0.311718; daa[7*20+4]= 0.050876; daa[7*20+5]= 0.12866; daa[7*20+6]= 0.250447; daa[8*20+0]= 0.078692; daa[8*20+1]= 0.213164; daa[8*20+2]= 0.290006; daa[8*20+3]= 0.134252; daa[8*20+4]= 0.016695; daa[8*20+5]= 0.315521; daa[8*20+6]= 0.104458; daa[8*20+7]= 0.058131; daa[9*20+0]= 0.222972; daa[9*20+1]= 0.08151; daa[9*20+2]= 0.087225; daa[9*20+3]= 0.01172; daa[9*20+4]= 0.046398; daa[9*20+5]= 0.054602; daa[9*20+6]= 0.046589; daa[9*20+7]= 0.051089; daa[9*20+8]= 0.020039; daa[10*20+0]= 0.42463; daa[10*20+1]= 0.192364; daa[10*20+2]= 0.069245; daa[10*20+3]= 0.060863; daa[10*20+4]= 0.091709; daa[10*20+5]= 0.24353; daa[10*20+6]= 0.151924; daa[10*20+7]= 0.087056; daa[10*20+8]= 0.103552; daa[10*20+9]= 2.08989; daa[11*20+0]= 0.393245; daa[11*20+1]= 1.755838; daa[11*20+2]= 0.50306; daa[11*20+3]= 0.261101; daa[11*20+4]= 0.004067; daa[11*20+5]= 0.738208; daa[11*20+6]= 0.88863; daa[11*20+7]= 0.193243; daa[11*20+8]= 0.153323; daa[11*20+9]= 0.093181; daa[11*20+10]= 0.201204; daa[12*20+0]= 0.21155; daa[12*20+1]= 0.08793; daa[12*20+2]= 0.05742; daa[12*20+3]= 0.012182; daa[12*20+4]= 0.02369; daa[12*20+5]= 0.120801; daa[12*20+6]= 0.058643; daa[12*20+7]= 0.04656; daa[12*20+8]= 0.021157; daa[12*20+9]= 0.493845; daa[12*20+10]= 1.105667; daa[12*20+11]= 0.096474; daa[13*20+0]= 0.116646; daa[13*20+1]= 0.042569; daa[13*20+2]= 0.039769; daa[13*20+3]= 0.016577; daa[13*20+4]= 0.051127; daa[13*20+5]= 0.026235; daa[13*20+6]= 0.028168; daa[13*20+7]= 0.050143; daa[13*20+8]= 0.079807; daa[13*20+9]= 0.32102; daa[13*20+10]= 0.946499; daa[13*20+11]= 0.038261; daa[13*20+12]= 0.173052; daa[14*20+0]= 0.399143; daa[14*20+1]= 0.12848; daa[14*20+2]= 0.083956; daa[14*20+3]= 0.160063; daa[14*20+4]= 0.011137; daa[14*20+5]= 0.15657; daa[14*20+6]= 0.205134; daa[14*20+7]= 0.124492; daa[14*20+8]= 0.078892; daa[14*20+9]= 0.054797; daa[14*20+10]= 0.169784; daa[14*20+11]= 0.212302; daa[14*20+12]= 0.010363; daa[14*20+13]= 0.042564; daa[15*20+0]= 1.817198; daa[15*20+1]= 0.292327; daa[15*20+2]= 0.847049; daa[15*20+3]= 0.461519; daa[15*20+4]= 0.17527; daa[15*20+5]= 0.358017; daa[15*20+6]= 0.406035; daa[15*20+7]= 0.612843; daa[15*20+8]= 0.167406; daa[15*20+9]= 0.081567; daa[15*20+10]= 0.214977; daa[15*20+11]= 0.400072; daa[15*20+12]= 0.090515; daa[15*20+13]= 0.138119; daa[15*20+14]= 0.430431; daa[16*20+0]= 0.877877; daa[16*20+1]= 0.204109; daa[16*20+2]= 0.471268; daa[16*20+3]= 0.178197; daa[16*20+4]= 0.079511; daa[16*20+5]= 0.248992; daa[16*20+6]= 0.321028; daa[16*20+7]= 0.136266; daa[16*20+8]= 0.101117; daa[16*20+9]= 0.376588; daa[16*20+10]= 0.243227; daa[16*20+11]= 0.446646; daa[16*20+12]= 0.184609; daa[16*20+13]= 0.08587; daa[16*20+14]= 0.207143; daa[16*20+15]= 1.767766; daa[17*20+0]= 0.030309; daa[17*20+1]= 0.046417; daa[17*20+2]= 0.010459; daa[17*20+3]= 0.011393; daa[17*20+4]= 0.007732; daa[17*20+5]= 0.021248; daa[17*20+6]= 0.018844; daa[17*20+7]= 0.02399; daa[17*20+8]= 0.020009; daa[17*20+9]= 0.034954; daa[17*20+10]= 0.083439; daa[17*20+11]= 0.023321; daa[17*20+12]= 0.022019; daa[17*20+13]= 0.12805; daa[17*20+14]= 0.014584; daa[17*20+15]= 0.035933; daa[17*20+16]= 0.020437; daa[18*20+0]= 0.087061; daa[18*20+1]= 0.09701; daa[18*20+2]= 0.093268; daa[18*20+3]= 0.051664; daa[18*20+4]= 0.042823; daa[18*20+5]= 0.062544; daa[18*20+6]= 0.0552; daa[18*20+7]= 0.037568; daa[18*20+8]= 0.286027; daa[18*20+9]= 0.086237; daa[18*20+10]= 0.189842; daa[18*20+11]= 0.068689; daa[18*20+12]= 0.073223; daa[18*20+13]= 0.898663; daa[18*20+14]= 0.032043; daa[18*20+15]= 0.121979; daa[18*20+16]= 0.094617; daa[18*20+17]= 0.124746; daa[19*20+0]= 1.230985; daa[19*20+1]= 0.113146; daa[19*20+2]= 0.049824; daa[19*20+3]= 0.048769; daa[19*20+4]= 0.163831; daa[19*20+5]= 0.112027; daa[19*20+6]= 0.205868; daa[19*20+7]= 0.082579; daa[19*20+8]= 0.068575; daa[19*20+9]= 3.65443; daa[19*20+10]= 1.337571; daa[19*20+11]= 0.144587; daa[19*20+12]= 0.307309; daa[19*20+13]= 0.247329; daa[19*20+14]= 0.129315; daa[19*20+15]= 0.1277; daa[19*20+16]= 0.740372; daa[19*20+17]= 0.022134; daa[19*20+18]= 0.125733; /*f[0]= 0.078837; f[1]= 0.051238; f[2]= 0.042313; f[3]= 0.053066; f[4]= 0.015175; f[5]= 0.036713; f[6]= 0.061924; f[7]= 0.070852; f[8]= 0.023082; f[9]= 0.062056; f[10]= 0.096371; f[11]= 0.057324; f[12]= 0.023771; f[13]= 0.043296; f[14]= 0.043911; f[15]= 0.063403; f[16]= 0.055897; f[17]= 0.013272; f[18]= 0.034399; f[19]= 0.073101; */ f[0] = 0.07900; f[1]= 0.05100; f[2] = 0.04200; f[3]= 0.05300; f[4] = 0.01500; f[5]= 0.03700; f[6] = 0.06200; f[7]= 0.07100; f[8] = 0.02300; f[9]= 0.06200; f[10] = 0.09600; f[11]= 0.05700; f[12] = 0.02400; f[13]= 0.04300; f[14] = 0.04400; f[15]= 0.06400; f[16] = 0.05600; f[17]= 0.01300; f[18] = 0.03500; f[19]= 0.07300; } break; case BLOSUM62: { daa[1*20+0]= 0.735790389698; daa[2*20+0]= 0.485391055466; daa[2*20+1]= 1.297446705134; daa[3*20+0]= 0.543161820899; daa[3*20+1]= 0.500964408555; daa[3*20+2]= 3.180100048216; daa[4*20+0]= 1.45999531047; daa[4*20+1]= 0.227826574209; daa[4*20+2]= 0.397358949897; daa[4*20+3]= 0.240836614802; daa[5*20+0]= 1.199705704602; daa[5*20+1]= 3.020833610064; daa[5*20+2]= 1.839216146992; daa[5*20+3]= 1.190945703396; daa[5*20+4]= 0.32980150463; daa[6*20+0]= 1.1709490428; daa[6*20+1]= 1.36057419042; daa[6*20+2]= 1.24048850864; daa[6*20+3]= 3.761625208368; daa[6*20+4]= 0.140748891814; daa[6*20+5]= 5.528919177928; daa[7*20+0]= 1.95588357496; daa[7*20+1]= 0.418763308518; daa[7*20+2]= 1.355872344485; daa[7*20+3]= 0.798473248968; daa[7*20+4]= 0.418203192284; daa[7*20+5]= 0.609846305383; daa[7*20+6]= 0.423579992176; daa[8*20+0]= 0.716241444998; daa[8*20+1]= 1.456141166336; daa[8*20+2]= 2.414501434208; daa[8*20+3]= 0.778142664022; daa[8*20+4]= 0.354058109831; daa[8*20+5]= 2.43534113114; daa[8*20+6]= 1.626891056982; daa[8*20+7]= 0.539859124954; daa[9*20+0]= 0.605899003687; daa[9*20+1]= 0.232036445142; daa[9*20+2]= 0.283017326278; daa[9*20+3]= 0.418555732462; daa[9*20+4]= 0.774894022794; daa[9*20+5]= 0.236202451204; daa[9*20+6]= 0.186848046932; daa[9*20+7]= 0.189296292376; daa[9*20+8]= 0.252718447885; daa[10*20+0]= 0.800016530518; daa[10*20+1]= 0.622711669692; daa[10*20+2]= 0.211888159615; daa[10*20+3]= 0.218131577594; daa[10*20+4]= 0.831842640142; daa[10*20+5]= 0.580737093181; daa[10*20+6]= 0.372625175087; daa[10*20+7]= 0.217721159236; daa[10*20+8]= 0.348072209797; daa[10*20+9]= 3.890963773304; daa[11*20+0]= 1.295201266783; daa[11*20+1]= 5.411115141489; daa[11*20+2]= 1.593137043457; daa[11*20+3]= 1.032447924952; daa[11*20+4]= 0.285078800906; daa[11*20+5]= 3.945277674515; daa[11*20+6]= 2.802427151679; daa[11*20+7]= 0.752042440303; daa[11*20+8]= 1.022507035889; daa[11*20+9]= 0.406193586642; daa[11*20+10]= 0.445570274261;daa[12*20+0]= 1.253758266664; daa[12*20+1]= 0.983692987457; daa[12*20+2]= 0.648441278787; daa[12*20+3]= 0.222621897958; daa[12*20+4]= 0.76768882348; daa[12*20+5]= 2.494896077113; daa[12*20+6]= 0.55541539747; daa[12*20+7]= 0.459436173579; daa[12*20+8]= 0.984311525359; daa[12*20+9]= 3.364797763104; daa[12*20+10]= 6.030559379572;daa[12*20+11]= 1.073061184332;daa[13*20+0]= 0.492964679748; daa[13*20+1]= 0.371644693209; daa[13*20+2]= 0.354861249223; daa[13*20+3]= 0.281730694207; daa[13*20+4]= 0.441337471187; daa[13*20+5]= 0.14435695975; daa[13*20+6]= 0.291409084165; daa[13*20+7]= 0.368166464453; daa[13*20+8]= 0.714533703928; daa[13*20+9]= 1.517359325954; daa[13*20+10]= 2.064839703237;daa[13*20+11]= 0.266924750511;daa[13*20+12]= 1.77385516883; daa[14*20+0]= 1.173275900924; daa[14*20+1]= 0.448133661718; daa[14*20+2]= 0.494887043702; daa[14*20+3]= 0.730628272998; daa[14*20+4]= 0.356008498769; daa[14*20+5]= 0.858570575674; daa[14*20+6]= 0.926563934846; daa[14*20+7]= 0.504086599527; daa[14*20+8]= 0.527007339151; daa[14*20+9]= 0.388355409206; daa[14*20+10]= 0.374555687471;daa[14*20+11]= 1.047383450722;daa[14*20+12]= 0.454123625103; daa[14*20+13]= 0.233597909629;daa[15*20+0]= 4.325092687057; daa[15*20+1]= 1.12278310421; daa[15*20+2]= 2.904101656456; daa[15*20+3]= 1.582754142065; daa[15*20+4]= 1.197188415094; daa[15*20+5]= 1.934870924596; daa[15*20+6]= 1.769893238937; daa[15*20+7]= 1.509326253224; daa[15*20+8]= 1.11702976291; daa[15*20+9]= 0.35754441246; daa[15*20+10]= 0.352969184527; daa[15*20+11]= 1.752165917819;daa[15*20+12]= 0.918723415746;daa[15*20+13]= 0.540027644824;daa[15*20+14]= 1.169129577716; daa[16*20+0]= 1.729178019485; daa[16*20+1]= 0.914665954563; daa[16*20+2]= 1.898173634533; daa[16*20+3]= 0.934187509431; daa[16*20+4]= 1.119831358516; daa[16*20+5]= 1.277480294596; daa[16*20+6]= 1.071097236007; daa[16*20+7]= 0.641436011405; daa[16*20+8]= 0.585407090225; daa[16*20+9]= 1.17909119726; daa[16*20+10]= 0.915259857694;daa[16*20+11]= 1.303875200799; daa[16*20+12]= 1.488548053722;daa[16*20+13]= 0.488206118793;daa[16*20+14]= 1.005451683149;daa[16*20+15]= 5.15155629227; daa[17*20+0]= 0.465839367725; daa[17*20+1]= 0.426382310122; daa[17*20+2]= 0.191482046247; daa[17*20+3]= 0.145345046279; daa[17*20+4]= 0.527664418872; daa[17*20+5]= 0.758653808642; daa[17*20+6]= 0.407635648938; daa[17*20+7]= 0.508358924638; daa[17*20+8]= 0.30124860078; daa[17*20+9]= 0.34198578754; daa[17*20+10]= 0.6914746346; daa[17*20+11]= 0.332243040634; daa[17*20+12]= 0.888101098152;daa[17*20+13]= 2.074324893497;daa[17*20+14]= 0.252214830027;daa[17*20+15]= 0.387925622098; daa[17*20+16]= 0.513128126891;daa[18*20+0]= 0.718206697586; daa[18*20+1]= 0.720517441216; daa[18*20+2]= 0.538222519037; daa[18*20+3]= 0.261422208965; daa[18*20+4]= 0.470237733696; daa[18*20+5]= 0.95898974285; daa[18*20+6]= 0.596719300346; daa[18*20+7]= 0.308055737035; daa[18*20+8]= 4.218953969389; daa[18*20+9]= 0.674617093228; daa[18*20+10]= 0.811245856323; daa[18*20+11]= 0.7179934869; daa[18*20+12]= 0.951682162246;daa[18*20+13]= 6.747260430801;daa[18*20+14]= 0.369405319355; daa[18*20+15]= 0.796751520761;daa[18*20+16]= 0.801010243199;daa[18*20+17]= 4.054419006558;daa[19*20+0]= 2.187774522005; daa[19*20+1]= 0.438388343772; daa[19*20+2]= 0.312858797993; daa[19*20+3]= 0.258129289418; daa[19*20+4]= 1.116352478606; daa[19*20+5]= 0.530785790125; daa[19*20+6]= 0.524253846338; daa[19*20+7]= 0.25334079019; daa[19*20+8]= 0.20155597175; daa[19*20+9]= 8.311839405458; daa[19*20+10]= 2.231405688913;daa[19*20+11]= 0.498138475304;daa[19*20+12]= 2.575850755315; daa[19*20+13]= 0.838119610178;daa[19*20+14]= 0.496908410676;daa[19*20+15]= 0.561925457442;daa[19*20+16]= 2.253074051176; daa[19*20+17]= 0.266508731426;daa[19*20+18]= 1; f[0]= 0.074; f[1]= 0.052; f[2]= 0.045; f[3]= 0.054; f[4]= 0.025; f[5]= 0.034; f[6]= 0.054; f[7]= 0.074; f[8]= 0.026; f[9]= 0.068; f[10]= 0.099; f[11]= 0.058; f[12]= 0.025; f[13]= 0.047; f[14]= 0.039; f[15]= 0.057; f[16]= 0.051; f[17]= 0.013; f[18]= 0.032; f[19]= 0.073; } break; case MTMAM: { daa[1*20+0]= 32; daa[2*20+0]= 2; daa[2*20+1]= 4; daa[3*20+0]= 11; daa[3*20+1]= 0; daa[3*20+2]= 864; daa[4*20+0]= 0; daa[4*20+1]= 186; daa[4*20+2]= 0; daa[4*20+3]= 0; daa[5*20+0]= 0; daa[5*20+1]= 246; daa[5*20+2]= 8; daa[5*20+3]= 49; daa[5*20+4]= 0; daa[6*20+0]= 0; daa[6*20+1]= 0; daa[6*20+2]= 0; daa[6*20+3]= 569; daa[6*20+4]= 0; daa[6*20+5]= 274; daa[7*20+0]= 78; daa[7*20+1]= 18; daa[7*20+2]= 47; daa[7*20+3]= 79; daa[7*20+4]= 0; daa[7*20+5]= 0; daa[7*20+6]= 22; daa[8*20+0]= 8; daa[8*20+1]= 232; daa[8*20+2]= 458; daa[8*20+3]= 11; daa[8*20+4]= 305; daa[8*20+5]= 550; daa[8*20+6]= 22; daa[8*20+7]= 0; daa[9*20+0]= 75; daa[9*20+1]= 0; daa[9*20+2]= 19; daa[9*20+3]= 0; daa[9*20+4]= 41; daa[9*20+5]= 0; daa[9*20+6]= 0; daa[9*20+7]= 0; daa[9*20+8]= 0; daa[10*20+0]= 21; daa[10*20+1]= 6; daa[10*20+2]= 0; daa[10*20+3]= 0; daa[10*20+4]= 27; daa[10*20+5]= 20; daa[10*20+6]= 0; daa[10*20+7]= 0; daa[10*20+8]= 26; daa[10*20+9]= 232; daa[11*20+0]= 0; daa[11*20+1]= 50; daa[11*20+2]= 408; daa[11*20+3]= 0; daa[11*20+4]= 0; daa[11*20+5]= 242; daa[11*20+6]= 215; daa[11*20+7]= 0; daa[11*20+8]= 0; daa[11*20+9]= 6; daa[11*20+10]= 4; daa[12*20+0]= 76; daa[12*20+1]= 0; daa[12*20+2]= 21; daa[12*20+3]= 0; daa[12*20+4]= 0; daa[12*20+5]= 22; daa[12*20+6]= 0; daa[12*20+7]= 0; daa[12*20+8]= 0; daa[12*20+9]= 378; daa[12*20+10]= 609; daa[12*20+11]= 59; daa[13*20+0]= 0; daa[13*20+1]= 0; daa[13*20+2]= 6; daa[13*20+3]= 5; daa[13*20+4]= 7; daa[13*20+5]= 0; daa[13*20+6]= 0; daa[13*20+7]= 0; daa[13*20+8]= 0; daa[13*20+9]= 57; daa[13*20+10]= 246; daa[13*20+11]= 0; daa[13*20+12]= 11; daa[14*20+0]= 53; daa[14*20+1]= 9; daa[14*20+2]= 33; daa[14*20+3]= 2; daa[14*20+4]= 0; daa[14*20+5]= 51; daa[14*20+6]= 0; daa[14*20+7]= 0; daa[14*20+8]= 53; daa[14*20+9]= 5; daa[14*20+10]= 43; daa[14*20+11]= 18; daa[14*20+12]= 0; daa[14*20+13]= 17; daa[15*20+0]= 342; daa[15*20+1]= 3; daa[15*20+2]= 446; daa[15*20+3]= 16; daa[15*20+4]= 347; daa[15*20+5]= 30; daa[15*20+6]= 21; daa[15*20+7]= 112; daa[15*20+8]= 20; daa[15*20+9]= 0; daa[15*20+10]= 74; daa[15*20+11]= 65; daa[15*20+12]= 47; daa[15*20+13]= 90; daa[15*20+14]= 202; daa[16*20+0]= 681; daa[16*20+1]= 0; daa[16*20+2]= 110; daa[16*20+3]= 0; daa[16*20+4]= 114; daa[16*20+5]= 0; daa[16*20+6]= 4; daa[16*20+7]= 0; daa[16*20+8]= 1; daa[16*20+9]= 360; daa[16*20+10]= 34; daa[16*20+11]= 50; daa[16*20+12]= 691; daa[16*20+13]= 8; daa[16*20+14]= 78; daa[16*20+15]= 614; daa[17*20+0]= 5; daa[17*20+1]= 16; daa[17*20+2]= 6; daa[17*20+3]= 0; daa[17*20+4]= 65; daa[17*20+5]= 0; daa[17*20+6]= 0; daa[17*20+7]= 0; daa[17*20+8]= 0; daa[17*20+9]= 0; daa[17*20+10]= 12; daa[17*20+11]= 0; daa[17*20+12]= 13; daa[17*20+13]= 0; daa[17*20+14]= 7; daa[17*20+15]= 17; daa[17*20+16]= 0; daa[18*20+0]= 0; daa[18*20+1]= 0; daa[18*20+2]= 156; daa[18*20+3]= 0; daa[18*20+4]= 530; daa[18*20+5]= 54; daa[18*20+6]= 0; daa[18*20+7]= 1; daa[18*20+8]= 1525;daa[18*20+9]= 16; daa[18*20+10]= 25; daa[18*20+11]= 67; daa[18*20+12]= 0; daa[18*20+13]= 682; daa[18*20+14]= 8; daa[18*20+15]= 107; daa[18*20+16]= 0; daa[18*20+17]= 14; daa[19*20+0]= 398; daa[19*20+1]= 0; daa[19*20+2]= 0; daa[19*20+3]= 10; daa[19*20+4]= 0; daa[19*20+5]= 33; daa[19*20+6]= 20; daa[19*20+7]= 5; daa[19*20+8]= 0; daa[19*20+9]= 2220; daa[19*20+10]= 100;daa[19*20+11]= 0; daa[19*20+12]= 832; daa[19*20+13]= 6; daa[19*20+14]= 0; daa[19*20+15]= 0; daa[19*20+16]= 237; daa[19*20+17]= 0; daa[19*20+18]= 0; f[0]= 0.06920; f[1]= 0.01840; f[2]= 0.04000; f[3]= 0.018600; f[4]= 0.00650; f[5]= 0.02380; f[6]= 0.02360; f[7]= 0.055700; f[8]= 0.02770; f[9]= 0.09050; f[10]=0.16750; f[11]= 0.02210; f[12]=0.05610; f[13]= 0.06110; f[14]=0.05360; f[15]= 0.07250; f[16]=0.08700; f[17]= 0.02930; f[18]=0.03400; f[19]= 0.04280; } break; case GTR: printf("this function should not be called by GTR model for proteins\n"); exit(-1); default: printf("FATAL ERROR not defined\n"); exit(-1); } } /* TODO review frequency sums for fixed as well as empirical base frequencies ! NUMERICAL BUG fix, rounded AA freqs in some models, such that they actually really sum to 1.0 +/- epsilon { double acc = 0.0; for(i = 0; i < 20; i++) acc += f[i]; printf("%1.80f\n", acc); assert(acc == 1.0); } */ for (i=0; i<20; i++) for (j=0; j max) max = temp; } scaler = AA_SCALE / max; /* SCALING HAS BEEN RE-INTRODUCED TO RESOLVE NUMERICAL PROBLEMS */ r = 0; for(i = 0; i < 19; i++) { for(j = i + 1; j < 20; j++) { q[i][j] *= scaler; assert(q[i][j] <= AA_SCALE_PLUS_EPSILON); initialRates[r++] = q[i][j]; } } } static void updateFracChange(tree *tr) { if(tr->NumberOfModels == 1) { assert(tr->fracchanges[0] != -1.0); tr->fracchange = tr->fracchanges[0]; tr->fracchanges[0] = -1.0; } else { int model, i; double *modelWeights = (double *)calloc(tr->NumberOfModels, sizeof(double)); double wgtsum = 0.0; /*assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I);*/ assert(tr->NumberOfModels > 1); tr->fracchange = 0.0; for(i = 0; i < tr->cdta->endsite; i++) { modelWeights[tr->model[i]] += (double)tr->cdta->aliaswgt[i]; wgtsum += (double)tr->cdta->aliaswgt[i]; } for(model = 0; model < tr->NumberOfModels; model++) { /*assert(tr->fracchanges[model] != -1.0);*/ tr->partitionContributions[model] = modelWeights[model] / wgtsum; tr->fracchange += tr->partitionContributions[model] * tr->fracchanges[model]; } free(modelWeights); } } void initReversibleGTR(tree *tr, analdef *adef, int model) { double *ext_EIGN, *EV, *EI, *frequencies, *ext_initialRates, *fracchanges = tr->fracchanges, *tipVector; switch(tr->partitionData[model].dataType) { case AA_DATA: ext_EIGN = tr->EIGN_AA; EV = tr->EV_AA; EI = tr->EI_AA; frequencies = tr->frequencies_AA; ext_initialRates = tr->initialRates_AA; tipVector = tr->tipVectorAA; { double r[20][20], a[20][20], *initialRates = &(ext_initialRates[model * 190]), f[20], e[20], d[20]; int i, j, k, m, l; double invfreq[20], EIGN[20], EIGV[20][20]; double *eptr; if(adef->useMultipleModel) { if(adef->proteinMatrix == GTR) { printf("FATAL ERROR no GTR for AA with multiple models\n"); exit(-1); } else { initProtMat(model, f, tr->partitionData[model].protModels, ext_initialRates, adef->userProteinModel, adef->externalAAMatrix); if(tr->partitionData[model].protFreqs) { for(l = 0; l < 20; l++) f[l] = frequencies[model * 20 + l]; } else { for(l = 0; l < 20; l++) frequencies[model * 20 + l] = f[l]; } } } else { if(adef->proteinMatrix == GTR) { for(l = 0; l < 20; l++) f[l] = frequencies[model * 20 + l]; } else { initProtMat(model, f, adef->proteinMatrix, ext_initialRates, adef->userProteinModel, adef->externalAAMatrix); if(adef->protEmpiricalFreqs) { for(l = 0; l < 20; l++) f[l] = frequencies[model * 20 + l]; } else { for(l = 0; l < 20; l++) frequencies[model * 20 + l] = f[l]; } } } i = 0; for(j = 0; j < 19; j++) for (k = j+1; k < 20; k++) r[j][k] = initialRates[i++]; for (j = 0; j < 20; j++) { r[j][j] = 0.0; for (k = 0; k < j; k++) r[j][k] = r[k][j]; } fracchanges[model] = 0.0; for (j = 0; j< 20; j++) for (k = 0; k< 20; k++) fracchanges[model] += f[j] * r[j][k] * f[k]; m = 0; for(i=0; i< 20; i++) a[i][i] = 0; for(i=0; i < 20; i++) { for(j=i+1; j < 20 ; j++) { double factor = initialRates[m++]; a[i][j] = a[j][i] = factor * sqrt( f[i] * f[j]); a[i][i] -= factor * f[j]; a[j][j] -= factor * f[i]; } } tred2((double *)a,20,20,d,e); tqli(d, e, 20 , 20, (double *)a); for(i=0; i<20; i++) for(j=0; j<20; j++) a[i][j] *= sqrt(f[j]); for (i=0; i<20; i++) { if (d[i] > -1e-8) { if (i != 0) { double tmp = d[i], sum=0; d[i] = d[0]; d[0] = tmp; for (j=0; j < 20; j++) { tmp = a[i][j]; a[i][j] = a[0][j]; sum += (a[0][j] = tmp); } for (j=0; j < 20; j++) a[0][j] /= sum; } break; } } for (i=0; i< 20; i++) { EIGN[i] = -d[i]; for (j=0; j<20; j++) EIGV[i][j] = a[j][i]; invfreq[i] = 1 / EIGV[i][0]; } for(l = 1; l < 20; l++) ext_EIGN[model * 19 + (l - 1)] = EIGN[l]; eptr = &(EV[model * 400]); for(i = 0; i < 20; i++) for(j = 0; j < 20; j++) *eptr++ = EIGV[i][j]; for(i = 0; i < 20; i++) for(j = 1; j < 20; j++) EI[model * 380 + i * 19 + (j - 1)] = EV[model * 400 + i * 20 + j] * invfreq[i]; for(i=0; i < 23; i++) { for(j = 0; j < 20; j++) { tipVector[model * 460 + 20 * i + j] = 0.0; } if(i < 20) { for (j = 0; j < 20; j++) { tipVector[model * 460 + 20 * i + j] += EIGV[i][j]; } } else { if(i == 20) { for (j = 0; j < 20; j++) { tipVector[model * 460 + 20 * i + j] += EIGV[2][j] + EIGV[3][j]; } } else { if(i == 21) { for (j = 0; j < 20; j++) { tipVector[model * 460 + 20 * i + j] += EIGV[5][j] + EIGV[6][j]; } } else { if(i == 22) { for (j = 0; j < 20; j++) { for(k = 0; k < 20; k++) { tipVector[model * 460 + 20 * i + j] += EIGV[k][j]; } } } } } } } } break; case DNA_DATA: ext_EIGN = tr->EIGN_DNA; EV = tr->EV_DNA; EI = tr->EI_DNA; frequencies = tr->frequencies_DNA; ext_initialRates = tr->initialRates_DNA; tipVector = tr->tipVectorDNA; { double r[4][4], a[4][4], *initialRates = &(ext_initialRates[model * 5]), f[4], e[4], d[4]; int i, j, k, m, code; double invfreq[4], EIGN[4], EIGV[4][4]; double *eptr; f[0] = frequencies[model * 4]; f[1] = frequencies[model * 4 + 1]; f[2] = frequencies[model * 4 + 2]; f[3] = frequencies[model * 4 + 3]; i = 0; for (j = 0; j < 2; j++) for (k = j+1; k< 4; k++) r[j][k] = initialRates[i++]; r[2][3] = 1.0; for (j = 0; j < 4; j++) { r[j][j] = 0; for (k = 0; k < j; k++) r[j][k] = r[k][j]; } fracchanges[model] = 0.0; for (j = 0; j<4; j++) for (k = 0; k<4; k++) fracchanges[model] += f[j] * r[j][k] * f[k]; m = 0; for(i=0; i<4; i++) a[i][i] = 0; for(i=0; i<4; i++) { for(j=i+1; j<4; j++) { double factor = ((m>=5) ? 1.0 : initialRates[m++]); a[i][j] = a[j][i] = factor * sqrt(f[i] * f[j]); a[i][i] -= factor * f[j]; a[j][j] -= factor * f[i]; } } tred2((double *)a,4,4,d,e); tqli(d, e, 4 , 4, (double *)a); for(i=0; i<4; i++) for(j=0; j<4; j++) a[i][j] *= sqrt(f[j]); for (i=0; i<4; i++) { if (d[i] > -1e-8) { if (i != 0) { double tmp = d[i], sum=0; d[i] = d[0]; d[0] = tmp; for (j=0; j < 4; j++) { tmp = a[i][j]; a[i][j] = a[0][j]; sum += (a[0][j] = tmp); } for (j=0; j < 4; j++) a[0][j] /= sum; } break; } } for (i=0; i< 4; i++) { EIGN[i] = -d[i]; for (j=0; j<4; j++) EIGV[i][j] = a[j][i]; invfreq[i] = 1 / EIGV[i][0]; } ext_EIGN[model * 3] = EIGN[1]; ext_EIGN[model * 3 + 1] = EIGN[2]; ext_EIGN[model * 3 + 2] = EIGN[3]; eptr = &(EV[model * 16]); for(i = 0; i < 4; i++) for(j = 0; j < 4; j++) *eptr++ = EIGV[i][j]; EI[model * 12] = EV[model * 16 + 1] * invfreq[0]; EI[model * 12 + 1] = EV[model * 16 + 2] * invfreq[0]; EI[model * 12 + 2] = EV[model * 16 + 3] * invfreq[0]; EI[model * 12 + 3] = EV[model * 16 + 5] * invfreq[1]; EI[model * 12 + 4] = EV[model * 16 + 6] * invfreq[1]; EI[model * 12 + 5] = EV[model * 16 + 7] * invfreq[1]; EI[model * 12 + 6] = EV[model * 16 + 9] * invfreq[2]; EI[model * 12 + 7] = EV[model * 16 + 10] * invfreq[2]; EI[model * 12 + 8] = EV[model * 16 + 11] * invfreq[2]; EI[model * 12 + 9] = EV[model * 16 + 13] * invfreq[3]; EI[model * 12 + 10] = EV[model * 16 + 14] * invfreq[3]; EI[model * 12 + 11] = EV[model * 16 + 15] * invfreq[3]; for(i=0; i < 16; i++) { code = i; tipVector[model * 64 + i * 4] = 0; tipVector[model * 64 + i * 4 + 1] = 0; tipVector[model * 64 + i * 4 + 2] = 0; tipVector[model * 64 + i * 4 + 3] = 0; if(i > 0) { for (j = 0; j < 4; j++) { if ((code >> j) & 1) { int jj = "0123"[j] - '0'; tipVector[model * 64 + i * 4] += EIGV[jj][0]; tipVector[model * 64 + i * 4 + 1] += EIGV[jj][1]; tipVector[model * 64 + i * 4 + 2] += EIGV[jj][2]; tipVector[model * 64 + i * 4 + 3] += EIGV[jj][3]; } } } } } break; default: assert(0); } updateFracChange(tr); } double LnGamma (double alpha) { /* returns ln(gamma(alpha)) for alpha>0, accurate to 10 decimal places. Stirling's formula is used for the central polynomial part of the procedure. Pike MC & Hill ID (1966) Algorithm 291: Logarithm of the gamma function. Communications of the Association for Computing Machinery, 9:684 */ double x, f, z, result; x = alpha; f = 0.0; if ( x < 7.0) { f = 1.0; z = alpha - 1.0; while ((z = z + 1.0) < 7.0) { f *= z; } x = z; assert(f != 0.0); f=-log(f); } z = 1/(x*x); result = f + (x-0.5)*log(x) - x + .918938533204673 + (((-.000595238095238*z+.000793650793651)*z-.002777777777778)*z +.083333333333333)/x; return result; } double IncompleteGamma (double x, double alpha, double ln_gamma_alpha) { /* returns the incomplete gamma ratio I(x,alpha) where x is the upper limit of the integration and alpha is the shape parameter. returns (-1) if in error ln_gamma_alpha = ln(Gamma(alpha)), is almost redundant. (1) series expansion if (alpha>x || x<=1) (2) continued fraction otherwise RATNEST FORTRAN by Bhattacharjee GP (1970) The incomplete gamma integral. Applied Statistics, 19: 285-287 (AS32) */ int i; double p=alpha, g=ln_gamma_alpha; double accurate=1e-8, overflow=1e30; double factor, gin=0, rn=0, a=0,b=0,an=0,dif=0, term=0, pn[6]; if (x==0) return (0); if (x<0 || p<=0) return (-1); factor=exp(p*log(x)-x-g); if (x>1 && x>=p) goto l30; /* (1) series expansion */ gin=1; term=1; rn=p; l20: rn++; term*=x/rn; gin+=term; if (term > accurate) goto l20; gin*=factor/p; goto l50; l30: /* (2) continued fraction */ a=1-p; b=a+x+1; term=0; pn[0]=1; pn[1]=x; pn[2]=x+1; pn[3]=x*b; gin=pn[2]/pn[3]; l32: a++; b+=2; term++; an=a*term; for (i=0; i<2; i++) pn[i+4]=b*pn[i+2]-an*pn[i]; if (pn[5] == 0) goto l35; rn=pn[4]/pn[5]; dif=fabs(gin-rn); if (dif>accurate) goto l34; if (dif<=accurate*rn) goto l42; l34: gin=rn; l35: for (i=0; i<4; i++) pn[i]=pn[i+2]; if (fabs(pn[4]) < overflow) goto l32; for (i=0; i<4; i++) pn[i]/=overflow; goto l32; l42: gin=1-factor*gin; l50: return (gin); } double PointNormal (double prob) { /* returns z so that Prob{x.999998 || v<=0) return (-1); g = LnGamma(v/2); xx=v/2; c=xx-1; if (v >= -1.24*log(p)) goto l1; ch=pow((p*xx*exp(g+xx*aa)), 1/xx); if (ch-e<0) return (ch); goto l4; l1: if (v>.32) goto l3; ch=0.4; a=log(1-p); l2: q=ch; p1=1+ch*(4.67+ch); p2=ch*(6.73+ch*(6.66+ch)); t=-0.5+(4.67+2*ch)/p1 - (6.73+ch*(13.32+3*ch))/p2; ch-=(1-exp(a+g+.5*ch+c*aa)*p2/p1)/t; if (fabs(q/ch-1)-.01 <= 0) goto l4; else goto l2; l3: x=PointNormal (p); p1=0.222222/v; ch=v*pow((x*sqrt(p1)+1-p1), 3.0); if (ch>2.2*v+6) ch=-2*(log(1-p)-c*log(.5*ch)+g); l4: q=ch; p1=.5*ch; if ((t=IncompleteGamma (p1, xx, g))< 0.0) { printf ("IncompleteGamma \n"); return (-1); } p2=p-t; t=p2*exp(xx*aa+g+p1-c*log(ch)); b=t/ch; a=0.5*t-b*c; s1=(210+a*(140+a*(105+a*(84+a*(70+60*a))))) / 420; s2=(420+a*(735+a*(966+a*(1141+1278*a))))/2520; s3=(210+a*(462+a*(707+932*a)))/2520; s4=(252+a*(672+1182*a)+c*(294+a*(889+1740*a)))/5040; s5=(84+264*a+c*(175+606*a))/2520; s6=(120+c*(346+127*c))/5040; ch+=t*(1+0.5*t*s1-b*c*(s1-b*(s2-b*(s3-b*(s4-b*(s5-b*s6)))))); if (fabs(q/ch-1) > e) goto l4; return (ch); } void makeGammaCats(int model, double *alphas, double *gammaRates) { int i, K = 4; double factor, lnga1, alfa, beta; double *gammaProbs = (double *)malloc(K * sizeof(double)); alfa = beta = alphas[model]; /* Note that ALPHA_MIN setting is somewhat critical due to */ /* numerical instability caused by very small rate[0] values */ /* induced by low alpha values around 0.01 */ assert(alfa >= ALPHA_MIN); factor = alfa / beta * K; lnga1=LnGamma(alfa+1); for (i=0; imodel) { case M_PROTGAMMA: if(adef->useMultipleModel) { if(adef->useInvariant) tr->likelihoodFunction = PROTGAMMAMULTI; else tr->likelihoodFunction = PROTGAMMAMULT; } else { if(adef->useInvariant) tr->likelihoodFunction = PROTGAMMAI; else tr->likelihoodFunction = PROTGAMMA; } break; case M_PROTCAT: if(adef->useMultipleModel) tr->likelihoodFunction = PROTCATMULT; else tr->likelihoodFunction = PROTCAT; break; case M_GTRGAMMA: if(adef->useMultipleModel) { if(adef->useInvariant) tr->likelihoodFunction = GTRGAMMAMULTI; else tr->likelihoodFunction = GTRGAMMAMULT; } else { if(adef->useInvariant) tr->likelihoodFunction = GTRGAMMAI; else tr->likelihoodFunction = GTRGAMMA; } break; case M_GTRCAT: if(adef->useMultipleModel) tr->likelihoodFunction = GTRCATMULT; else tr->likelihoodFunction = GTRCAT; break; default: printf("FATAL ERROR: assignLikelihoodFunctions\n"); exit(1); break; } } static void initInvariant(tree *tr, int lower, int upper, int *numberOfInvariableColumns, int *weightOfInvariableColumns, int dataType) { int count = 0, sum = 0, i, j; switch(dataType) { case AA_DATA: for(i = lower; i < upper; i++) { char c[23]; int aaSum; for(j = 0; j < 23; j++) c[j] = 0; for(j = 1; j <= tr->mxtips; j++) c[tr->yVector[tr->nodep[j]->number][i]] = 1; aaSum = 0; for(j = 0; j < 20; j++) aaSum += c[j]; if(aaSum == 1) { if(((c[20] == 1) && ((c[2] == 0) || (c[3] == 0))) || ((c[21] == 1) && ((c[5] == 0) || (c[6] == 0)))) tr->invariant[i] = 20; else { int which = -1; for(j = 0; (j < 20) && (which < 0); j++) if(c[j] == 1) which = j; tr->invariant[i] = which; count++; sum += tr->cdta->aliaswgt[i]; } } else tr->invariant[i] = 20; } break; case DNA_DATA: for(i = lower; i < upper; i++) { char c[16]; for(j = 0; j < 16; j++) c[j] = 0; for(j = 1; j <= tr->mxtips; j++) c[tr->yVector[tr->nodep[j]->number][i]] = 1; if(c[1] + c[2] + c[4] + c[8] == 1) { if((c[1] && !(c[6] || c[10] || c[12] || c[14])) || (c[2] && !(c[5] || c[9] || c[12] || c[13])) || (c[4] && !(c[3] || c[9] || c[10] || c[11])) || (c[8] && !(c[3] || c[5] || c[6] || c[7]))) { count++; sum += tr->cdta->aliaswgt[i]; if(c[1]) tr->invariant[i] = 0; if(c[2]) tr->invariant[i] = 1; if(c[4]) tr->invariant[i] = 2; if(c[8]) tr->invariant[i] = 3; } else tr->invariant[i] = 4; } else tr->invariant[i] = 4; } break; default: assert(0); } *numberOfInvariableColumns += count; *weightOfInvariableColumns += sum; } void initModel(tree *tr, rawdata *rdta, cruncheddata *cdta, analdef *adef) { int model, i, j; double temp, wtemp; optimizeRatesInvocations = 1; optimizeRateCategoryInvocations = 1; optimizeAlphaInvocations = 1; optimizeInvarInvocations = 1; tr->numberOfInvariableColumns = 0; tr->weightOfInvariableColumns = 0; if(!adef->useMultipleModel) { assert(tr->partitionData[0].lower == 0); assert(tr->partitionData[0].upper == tr->cdta->endsite); } if(adef->useInvariant) { for(model = 0; model < tr->NumberOfModels; model++) { int lower = tr->partitionData[model].lower; int upper = tr->partitionData[model].upper; initInvariant(tr, lower, upper, &(tr->numberOfInvariableColumns), &(tr->weightOfInvariableColumns), tr->partitionData[model].dataType); } } for(model = 0; model < tr->NumberOfModels; model++) { for(i = 0; i < DNA_RATES; i++) tr->initialRates_DNA[model * DNA_RATES + i] = 0.5; for(i = 0; i < AA_RATES; i++) tr->initialRates_AA[model * AA_RATES + i] = 0.5; if(adef->useInvariant) { int lower, upper; int count = 0; int total = 0; lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; for(i = lower; i < upper; i++) { if(tr->invariant[i] < 4) count += tr->cdta->aliaswgt[i]; total += tr->cdta->aliaswgt[i]; } tr->invariants[model] = ((double)count)/((double) total); } } assignLikelihoodFunctions(tr, adef); tr->NumberOfCategories = 1; switch(adef->model) { case M_PROTGAMMA: case M_GTRGAMMA: for(j = 0; j < tr->cdta->endsite; j++) tr->cdta->wr[j] = tr->cdta->aliaswgt[j]; break; case M_PROTCAT: case M_GTRCAT: for (j = 0; j < tr->cdta->endsite; j++) { tr->cdta->patrat[j] = temp = 1.0; tr->cdta->patratStored[j] = 1.0; tr->cdta->rateCategory[j] = 0; tr->cdta->wr[j] = wtemp = temp * tr->cdta->aliaswgt[j]; tr->cdta->wr2[j] = temp * wtemp; } break; default: assert(0); } baseFrequenciesGTR(rdta, cdta, tr, adef); for(model = 0; model < tr->NumberOfModels; model++) { tr->alphas[model] = 1.0; initReversibleGTR(tr, adef, model); makeGammaCats(model, tr->alphas, tr->gammaRates); } if(tr->NumberOfModels > 1) { tr->fracchange = 0; for(model = 0; model < tr->NumberOfModels; model++) { tr->fracchange += tr->fracchanges[model]; } tr->fracchange /= ((double)tr->NumberOfModels); } #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INIT_MODEL, tr); #endif } ./arbsrc_9167/GDE/RAxML/multiple.c0000644012664100000130000021007011213220010016436 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" extern int optimizeRatesInvocations; extern int optimizeRateCategoryInvocations; extern int optimizeAlphaInvocations; extern int optimizeInvarInvocations; extern int checkPointCounter; extern int Thorough; extern double masterTime; extern FILE *INFILE, *permutationFile, *logFile, *infoFile; extern char seq_file[1024]; extern char permFileName[1024], resultFileName[1024], logFileName[1024], checkpointFileName[1024], infoFileName[1024], run_id[128], workdir[1024], bootStrapFile[1024], bootstrapFileName[1024], bipartitionsFileName[1024]; void catToGamma(tree *tr, analdef *adef) { freeNodex(tr); assert(tr->rateHetModel == CAT); assert(adef->model == M_GTRCAT || adef->model == M_PROTCAT); if(adef->useInvariant) tr->rateHetModel = GAMMA_I; else tr->rateHetModel = GAMMA; switch(adef->model) { case M_GTRCAT: adef->model = M_GTRGAMMA; break; case M_PROTCAT: adef->model = M_PROTGAMMA; break; default: assert(0); } #ifdef _LOCAL_DATA tr->currentModel = adef->model; #endif assignLikelihoodFunctions(tr, adef); allocNodex(tr, adef); } void gammaToCat(tree *tr, analdef *adef) { freeNodex(tr); assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I); assert(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA); tr->rateHetModel = CAT; switch(adef->model) { case M_GTRGAMMA: adef->model = M_GTRCAT; break; case M_PROTGAMMA: adef->model = M_PROTCAT; break; default: assert(0); } #ifdef _LOCAL_DATA tr->currentModel = adef->model; #endif assignLikelihoodFunctions(tr, adef); allocNodex(tr, adef); } static void gammaToParsimony(tree *tr, analdef *adef) { /* TODO-PTHREADS check */ freeNodex(tr); assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I); assert(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA); tr->rateHetModel = CAT; switch(adef->model) { case M_GTRGAMMA: adef->model = M_GTRCAT; break; case M_PROTGAMMA: adef->model = M_PROTCAT; break; default: assert(0); } #ifdef _LOCAL_DATA tr->currentModel = adef->model; #endif } static void gammaToParsimonyNoFree(tree *tr, analdef *adef) { /* TODO PTHREADS check */ assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I); assert(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA); tr->rateHetModel = CAT; switch(adef->model) { case M_GTRGAMMA: adef->model = M_GTRCAT; break; case M_PROTGAMMA: adef->model = M_PROTCAT; break; default: assert(0); } #ifdef _LOCAL_DATA tr->currentModel = adef->model; #endif } static void singleBootstrap(tree *tr, int i, analdef *adef, rawdata *rdta, cruncheddata *cdta) { int k; tr->treeID = i; tr->checkPointCounter = 0; if(i > 0) { makeboot(adef, tr); initModel(tr, rdta, cdta, adef); } getStartingTree(tr, adef); computeBIGRAPID(tr, adef); if(adef->bootstrapBranchLengths) { if(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA) modOpt(tr, adef); else { if(adef->useMixedModel) { tr->likelihood = unlikely; catToGamma(tr, adef); initModel(tr, rdta, cdta, adef); modOpt(tr, adef); gammaToParsimonyNoFree(tr, adef); /* if(adef->model == M_GTRGAMMA) adef->model = M_GTRCAT; else adef->model = M_PROTCAT; */ } } } #ifndef PARALLEL printBootstrapResult(tr, adef, TRUE); #endif freeNodex(tr); for(k = 1; k <= rdta->sites; k++) { rdta->wgt[k] = rdta->wgt2[k] = 1; cdta->aliaswgt[k] = 0; } } static void multipleBootstrap(tree *tr, int i, analdef *adef, rawdata *rdta, cruncheddata *cdta) { int k, l, j, max; topolRELL_LIST *rl; double bestLH; tr->treeID = i; tr->checkPointCounter = 0; if(i > 0) { makeboot(adef, tr); initModel(tr, rdta, cdta, adef); } rl = (topolRELL_LIST *)malloc(sizeof(topolRELL_LIST)); initTL(rl, tr, adef->multiBoot); for(l = 0; l < adef->multiBoot; l++) { getStartingTree(tr, adef); if(l == 0) { if(tr->rateHetModel == CAT && (adef->model == M_GTRCAT || adef->model == M_PROTCAT)) catToGamma(tr, adef); for(j = 0; j < tr->cdta->endsite; j++) tr->cdta->wr[j] = tr->cdta->aliaswgt[j]; modOpt(tr, adef); /* printf("ModOpt, replicate %d: %f\n", i, tr->likelihood); */ if(tr->rateHetModel == CAT && (adef->model == M_GTRCAT || adef->model == M_PROTCAT)) categorizeGeneric(tr, tr->start); } if(tr->rateHetModel == CAT && (adef->model == M_GTRCAT || adef->model == M_PROTCAT)) gammaToCat(tr, adef); evaluateGenericInitrav(tr, tr->start); computeBIGRAPIDMULTIBOOT(tr, adef); saveTL(rl, tr, l); if(l < adef->multiBoot - 1) freeNodex(tr); } if(tr->rateHetModel == CAT && (adef->model == M_GTRCAT || adef->model == M_PROTCAT)) catToGamma(tr, adef); for(j = 0; j < tr->cdta->endsite; j++) tr->cdta->wr[j] = tr->cdta->aliaswgt[j]; bestLH = unlikely; max = -1; for(l = 0; l < adef->multiBoot; l++) { restoreTL(rl, tr, l); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 0.5); rl->t[l]->likelihood = unlikely; /* printf("TREE %d GAMMA %f\n", l, tr->likelihood); */ if(tr->likelihood > bestLH) { bestLH = tr->likelihood; max = l; } saveTL(rl, tr, l); } restoreTL(rl, tr, max); evaluateGenericInitrav(tr, tr->start); /* printf("Best under GAMMA: %f\n", tr->likelihood); */ if(adef->reallyThoroughBoot) { treeOptimizeThorough(tr, 1, 10); evaluateGenericInitrav(tr, tr->start); /* printf("AFTER THOROUGH: %f\n", tr->likelihood); */ } #ifndef PARALLEL printBootstrapResult(tr, adef, TRUE); #endif for(k = 1; k <= rdta->sites; k++) { rdta->wgt[k] = rdta->wgt2[k] = 1; cdta->aliaswgt[k] = 0; } freeNodex(tr); freeTL(rl); free(rl); } /***************************** EXPERIMENTAL FUNCTIONS ********************************************************/ static int compareTopolRell(const void *p1, const void *p2) { topolRELL **rc1 = (topolRELL **)p1; topolRELL **rc2 = (topolRELL **)p2; double i = (*rc1)->likelihood; double j = (*rc2)->likelihood; if (i > j) return (-1); if (i < j) return (1); return (0); } void fixModelIndices(tree *tr, analdef *adef, int endsite) { if(adef->useMultipleModel) { int i, model; tr->partitionData[0].lower = 0; model = tr->model[0]; i = 1; while(i < endsite) { if(tr->model[i] != model) { tr->partitionData[model].upper = i; tr->partitionData[model + 1].lower = i; model = tr->model[i]; } i++; } tr->partitionData[tr->NumberOfModels - 1].upper = endsite; } else { tr->partitionData[0].lower = 0; tr->partitionData[0].upper = endsite; } if(tr->mixedData) calculateModelOffsets(tr); } void reductionCleanup(tree *tr, analdef *adef, int *originalRateCategories, int *originalInvariant) { int j; tr->cdta->endsite = tr->originalCrunchedLength; memcpy(tr->cdta->aliaswgt, tr->originalWeights, sizeof(int) * tr->cdta->endsite); memcpy(tr->model, tr->originalModel, sizeof(int) * tr->cdta->endsite); memcpy(tr->dataVector, tr->originalDataVector, sizeof(int) * tr->cdta->endsite); memcpy(tr->cdta->rateCategory, originalRateCategories, sizeof(int) * tr->cdta->endsite); memcpy(tr->invariant, originalInvariant, sizeof(int) * tr->cdta->endsite); for (j = 0; j < tr->originalCrunchedLength; j++) { double temp, wtemp; temp = tr->cdta->patrat[originalRateCategories[j]]; tr->cdta->wr[j] = wtemp = temp * tr->cdta->aliaswgt[j]; tr->cdta->wr2[j] = temp * wtemp; } if(!adef->computeELW) assert(adef->model == M_GTRCAT || adef->model == M_PROTCAT); memcpy(tr->rdta->y0, tr->rdta->yBUF, tr->rdta->numsp * tr->cdta->endsite * sizeof(char)); tr->cdta->endsite = tr->originalCrunchedLength; fixModelIndices(tr, adef, tr->originalCrunchedLength); #ifdef _LOCAL_DATA masterBarrier(THREAD_NEXT_REPLICATE, tr); #endif } void makeboot (analdef *adef, tree *tr) { int i, nonzero, j, model, *weightBuffer, pos, w, endsite, l; #ifdef PARALLEL long seed; #endif for(j = 0; j < tr->originalCrunchedLength; j++) tr->cdta->aliaswgt[j] = 0; if(tr->NumberOfModels > 1) { for(model = 0; model < tr->NumberOfModels; model++) { nonzero = 0; for (j = 0; j < tr->originalCrunchedLength; j++) { if(tr->originalModel[j] == model) nonzero += tr->originalWeights[j]; } weightBuffer = (int *)calloc(nonzero, sizeof(int)); #ifdef PARALLEL seed = (long) gettimeSrand(); for (j = 0; j < nonzero; j++) weightBuffer[(int) (nonzero*randum(& seed))]++; #else for (j = 0; j < nonzero; j++) weightBuffer[(int) (nonzero*randum(& adef->boot))]++; #endif pos = 0; for(j = 0; j < tr->originalCrunchedLength; j++) { if(model == tr->originalModel[j]) { for(w = 0; w < tr->originalWeights[j]; w++) { tr->cdta->aliaswgt[j] += weightBuffer[pos]; pos++; } } } free(weightBuffer); } } else { weightBuffer = (int*)calloc(tr->fullSites, sizeof(int)); #ifdef PARALLEL seed = (long) gettimeSrand(); for (j = 0; j < tr->fullSites; j++) weightBuffer[(int) (tr->fullSites * randum(& seed))]++; #else for(j = 0; j < tr->fullSites; j++) weightBuffer[(int)(tr->fullSites * randum(& adef->boot))]++; #endif pos = 0; for(j = 0; j < tr->originalCrunchedLength; j++) for(w = 0; w < tr->originalWeights[j]; w++) { tr->cdta->aliaswgt[j] += weightBuffer[pos]; pos++; } free(weightBuffer); } endsite = 0; for (j = 0; j < tr->originalCrunchedLength; j++) { if(tr->cdta->aliaswgt[j] > 0) endsite++; } for(i = 0; i < tr->rdta->numsp; i++) { char *yPos = &(tr->rdta->y0[tr->originalCrunchedLength * i]); char *origSeq = &(tr->rdta->yBUF[tr->originalCrunchedLength * i]); int l, j; for(j = 0, l = 0; j < tr->originalCrunchedLength; j++) { if(tr->cdta->aliaswgt[j] > 0) { yPos[l++] = origSeq[j]; } } } for(j = 0, l = 0; j < tr->originalCrunchedLength; j++) { if(tr->cdta->aliaswgt[j] > 0) { tr->cdta->aliaswgt[l] = tr->cdta->aliaswgt[j]; tr->model[l] = tr->originalModel[j]; tr->dataVector[l] = tr->originalDataVector[j]; l++; } } tr->cdta->endsite = endsite; fixModelIndices(tr, adef, endsite); #ifdef _LOCAL_DATA masterBarrier(THREAD_NEXT_REPLICATE, tr); #endif } void computeNextReplicate(tree *tr, analdef *adef, int *originalRateCategories, int *originalInvariant) { int pos, nonzero, j, model, w; int *weightBuffer, endsite; int *weights, i, l; assert(adef->rapidBoot != 0); for(j = 0; j < tr->originalCrunchedLength; j++) tr->cdta->aliaswgt[j] = 0; if(tr->NumberOfModels > 1) { for(model = 0; model < tr->NumberOfModels; model++) { nonzero = 0; for (j = 0; j < tr->originalCrunchedLength; j++) { if(tr->originalModel[j] == model) nonzero += tr->originalWeights[j]; } weightBuffer = (int *)calloc(nonzero, sizeof(int)); for (j = 0; j < nonzero; j++) weightBuffer[(int) (nonzero*randum(& adef->rapidBoot))]++; pos = 0; for(j = 0; j < tr->originalCrunchedLength; j++) { if(model == tr->originalModel[j]) { for(w = 0; w < tr->originalWeights[j]; w++) { tr->cdta->aliaswgt[j] += weightBuffer[pos]; pos++; } } } free(weightBuffer); } } else { weightBuffer = (int*)calloc(tr->fullSites, sizeof(int)); for(j = 0; j < tr->fullSites; j++) weightBuffer[(int)(tr->fullSites * randum(& adef->rapidBoot))]++; pos = 0; for(j = 0; j < tr->originalCrunchedLength; j++) for(w = 0; w < tr->originalWeights[j]; w++) { tr->cdta->aliaswgt[j] += weightBuffer[pos]; pos++; } free(weightBuffer); } endsite = 0; for (j = 0; j < tr->originalCrunchedLength; j++) { double temp, wtemp; if(tr->cdta->aliaswgt[j] > 0) endsite++; temp = tr->cdta->patrat[originalRateCategories[j]]; tr->cdta->wr[j] = wtemp = temp * tr->cdta->aliaswgt[j]; tr->cdta->wr2[j] = temp * wtemp; } weights = tr->cdta->aliaswgt; #ifndef _VINCENT if(!adef->computeELW && !(adef->mode == MEHRING_ALGO)) assert(adef->model == M_GTRCAT || adef->model == M_PROTCAT); #endif for(i = 0; i < tr->rdta->numsp; i++) { char *yPos = &(tr->rdta->y0[tr->originalCrunchedLength * i]); char *origSeq = &(tr->rdta->yBUF[tr->originalCrunchedLength * i]); int l, j; for(j = 0, l = 0; j < tr->originalCrunchedLength; j++) if(tr->cdta->aliaswgt[j] > 0) yPos[l++] = origSeq[j]; } for(j = 0, l = 0; j < tr->originalCrunchedLength; j++) { if(weights[j]) { tr->cdta->aliaswgt[l] = tr->cdta->aliaswgt[j]; tr->cdta->wr[l] = tr->cdta->wr[j]; tr->cdta->wr2[l] = tr->cdta->wr2[j]; tr->model[l] = tr->originalModel[j]; tr->dataVector[l] = tr->originalDataVector[j]; tr->cdta->rateCategory[l] = originalRateCategories[j]; tr->invariant[l] = originalInvariant[j]; l++; } } tr->cdta->endsite = endsite; fixModelIndices(tr, adef, endsite); #ifdef _LOCAL_DATA masterBarrier(THREAD_NEXT_REPLICATE, tr); #endif } void quickOpt(tree *tr, analdef *adef) { int l; double sl, ol; /* printf("START %f\n", tr->likelihood); */ l = 0; do { sl = tr->likelihood; quickAndDirtyOptimization(tr, adef); treeEvaluate(tr, 0.25); /* printf("%d %f\n", l, tr->likelihood); */ ol = tr->likelihood; l++; } while((ol > sl) && (ol - sl > 1.0)); } typedef struct { double *tipVectorDNA; double *tipVectorAA; double *EV_DNA; double *EV_AA; double *EI_DNA; double *EI_AA; double *EIGN_DNA; double *EIGN_AA; double *frequencies_DNA; double *frequencies_AA; double *initialRates_DNA; double *initialRates_AA; } modelParams; static void allocParams(modelParams *params, tree *tr) { params->tipVectorDNA = (double *)malloc(tr->NumberOfModels * 64 * sizeof(double)); params->tipVectorAA = (double *)malloc(tr->NumberOfModels * 460 * sizeof(double)); params->EV_DNA = (double *)malloc(tr->NumberOfModels * 16 * sizeof(double)); params->EV_AA = (double *)malloc(tr->NumberOfModels * 400 * sizeof(double)); params->EI_DNA = (double *)malloc(tr->NumberOfModels * 12 * sizeof(double)); params->EI_AA = (double *)malloc(tr->NumberOfModels * 380 * sizeof(double)); params->EIGN_DNA = (double *)malloc(tr->NumberOfModels * 3 * sizeof(double)); params->EIGN_AA = (double *)malloc(tr->NumberOfModels * 19 * sizeof(double)); params->frequencies_DNA = (double *)malloc(tr->NumberOfModels * 4 * sizeof(double)); params->frequencies_AA = (double *)malloc(tr->NumberOfModels * 20 * sizeof(double)); params->initialRates_DNA = (double *)malloc(tr->NumberOfModels * 5 * sizeof(double)); params->initialRates_AA = (double *)malloc(tr->NumberOfModels * 190 * sizeof(double)); } static void freeParams(modelParams *params) { free(params->tipVectorDNA); free(params->tipVectorAA); free(params->EV_DNA); free(params->EV_AA); free(params->EI_DNA); free(params->EI_AA); free(params->EIGN_DNA); free(params->EIGN_AA); free(params->frequencies_DNA); free(params->frequencies_AA); free(params->initialRates_DNA); free(params->initialRates_AA); } static void storeParams(modelParams *params, tree *tr) { memcpy(params->tipVectorDNA, tr->tipVectorDNA, tr->NumberOfModels * 64 * sizeof(double)); memcpy(params->tipVectorAA, tr->tipVectorAA, tr->NumberOfModels * 460 * sizeof(double)); memcpy(params->EV_DNA, tr->EV_DNA, tr->NumberOfModels * 16 * sizeof(double)); memcpy(params->EV_AA, tr->EV_AA, tr->NumberOfModels * 400 * sizeof(double)); memcpy(params->EI_DNA, tr->EI_DNA, tr->NumberOfModels * 12 * sizeof(double)); memcpy(params->EI_AA, tr->EI_AA, tr->NumberOfModels * 380 * sizeof(double)); memcpy(params->EIGN_DNA, tr->EIGN_DNA, tr->NumberOfModels * 3 * sizeof(double)); memcpy(params->EIGN_AA, tr->EIGN_AA, tr->NumberOfModels * 19 * sizeof(double)); memcpy(params->frequencies_DNA, tr->frequencies_DNA, tr->NumberOfModels * 4 * sizeof(double)); memcpy(params->frequencies_AA, tr->frequencies_AA, tr->NumberOfModels * 20 * sizeof(double)); memcpy(params->initialRates_DNA, tr->initialRates_DNA, tr->NumberOfModels * 5 * sizeof(double)); memcpy(params->initialRates_AA, tr->initialRates_AA, tr->NumberOfModels * 190 * sizeof(double)); } static void loadParams(modelParams *params, tree *tr) { memcpy(tr->tipVectorDNA, params->tipVectorDNA, tr->NumberOfModels * 64 * sizeof(double)); memcpy(tr->tipVectorAA, params->tipVectorAA, tr->NumberOfModels * 460 * sizeof(double)); memcpy(tr->EV_DNA, params->EV_DNA, tr->NumberOfModels * 16 * sizeof(double)); memcpy(tr->EV_AA, params->EV_AA, tr->NumberOfModels * 400 * sizeof(double)); memcpy(tr->EI_DNA, params->EI_DNA, tr->NumberOfModels * 12 * sizeof(double)); memcpy(tr->EI_AA, params->EI_AA, tr->NumberOfModels * 380 * sizeof(double)); memcpy(tr->EIGN_DNA, params->EIGN_DNA, tr->NumberOfModels * 3 * sizeof(double)); memcpy(tr->EIGN_AA, params->EIGN_AA, tr->NumberOfModels * 19 * sizeof(double)); memcpy(tr->frequencies_DNA, params->frequencies_DNA, tr->NumberOfModels * 4 * sizeof(double)); memcpy(tr->frequencies_AA, params->frequencies_AA, tr->NumberOfModels * 20 * sizeof(double)); memcpy(tr->initialRates_DNA, params->initialRates_DNA, tr->NumberOfModels * 5 * sizeof(double)); memcpy(tr->initialRates_AA, params->initialRates_AA, tr->NumberOfModels * 190 * sizeof(double)); } #ifndef PARALLEL void doAllInOne(tree *tr, analdef *adef) { int i, j, n, sites, bestIndex, model, bootstrapsPerformed; double loopTime; int *originalRateCategories; int *originalInvariant; int slowSearches, fastEvery = 5; topolRELL_LIST *rl; double bestLH, mlTime, overallTime; long radiusSeed = adef->rapidBoot; FILE *infoFile, *f; char bestTreeFileName[1024]; BL *b = (BL *)NULL; boolean bootStopIt = FALSE; double pearsonAverage = 0.0; modelParams *catParams = (modelParams *)malloc(sizeof(modelParams)); modelParams *gammaParams = (modelParams *)malloc(sizeof(modelParams)); allocParams(catParams, tr); allocParams(gammaParams, tr); n = adef->multipleRuns; if(adef->bootStopping) { b = (BL *)malloc(sizeof(BL)); b->count = 0; b->n = FC_INIT * tr->mxtips; b->treeVectorLength = (n / BITS_BYTE) + 1; b->b = (bipList *)malloc(sizeof(bipList) * b->n); for(i = 0; i < b->n; i++) { b->b[i].length = 0; b->b[i].isSet = (unsigned char*)calloc(b->treeVectorLength, sizeof(unsigned char)); b->b[i].entries = (int *)NULL; } } rl = (topolRELL_LIST *)malloc(sizeof(topolRELL_LIST)); initTL(rl, tr, n); originalRateCategories = (int*)malloc(tr->cdta->endsite * sizeof(int)); originalInvariant = (int*)malloc(tr->cdta->endsite * sizeof(int)); sites = tr->cdta->endsite; if(adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA || tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I); assert(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA); tr->rateHetModel = CAT; switch(adef->model) { case M_GTRGAMMA: adef->model = M_GTRCAT; break; case M_PROTGAMMA: adef->model = M_PROTCAT; break; default: assert(0); } initModel(tr, tr->rdta, tr->cdta, adef); printf("\nSwitching from GAMMA to CAT for rapid Bootstrap, final ML search will be conducted under the %s model you specified\n", (adef->useInvariant)?"GAMMA+P-Invar":"GAMMA"); infoFile = fopen(infoFileName, "a"); fprintf(infoFile, "\nSwitching from GAMMA to CAT for rapid Bootstrap, final ML search will be conducted under the %s model you specified\n", (adef->useInvariant)?"GAMMA+P-Invar":"GAMMA"); fclose(infoFile); } for(i = 0; i < n && !bootStopIt; i++) { tr->treeID = i; tr->checkPointCounter = 0; loopTime = gettime(); if(i % 10 == 0) { if(i > 0) { freeNodex(tr); reductionCleanup(tr, adef, originalRateCategories, originalInvariant); } makeParsimonyTree(tr, adef); allocNodex(tr, adef); tr->likelihood = unlikely; if(i == 0) { double t; onlyInitrav(tr, tr->start); /* debug */ /*evaluateGeneric(tr, tr->start); printf("LH %f\n", tr->likelihood);*/ /* debug-end */ treeEvaluate(tr, 1); /*printf("LH2 %f\n", tr->likelihood);*/ t = gettime(); quickOpt(tr, adef); printf("\nTime for BS model parameter optimization %f\n", gettime() - t); infoFile = fopen(infoFileName, "a"); fprintf(infoFile, "\nTime for BS model parameter optimization %f\n", gettime() - t); fclose(infoFile); memcpy(originalRateCategories, tr->cdta->rateCategory, sizeof(int) * tr->cdta->endsite); memcpy(originalInvariant, tr->invariant, sizeof(int) * tr->cdta->endsite); if(adef->bootstrapBranchLengths) { storeParams(catParams, tr); assert(tr->cdta->endsite == tr->originalCrunchedLength); catToGamma(tr, adef); modOpt(tr, adef); storeParams(gammaParams, tr); gammaToCat(tr, adef); loadParams(catParams, tr); } } } computeNextReplicate(tr, adef, originalRateCategories, originalInvariant); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 1); computeBOOTRAPID(tr, adef, &radiusSeed); saveTL(rl, tr, i); if(adef->bootstrapBranchLengths) { double lh = tr->likelihood; int endsite; loadParams(gammaParams, tr); endsite = tr->cdta->endsite; tr->cdta->endsite = tr->originalCrunchedLength; catToGamma(tr, adef); tr->cdta->endsite = endsite; resetBranches(tr); treeEvaluate(tr, 2.0); endsite = tr->cdta->endsite; tr->cdta->endsite = tr->originalCrunchedLength; gammaToCat(tr, adef); tr->cdta->endsite = endsite; loadParams(catParams, tr); tr->likelihood = lh; } printBootstrapResult(tr, adef, TRUE); loopTime = gettime() - loopTime; writeInfoFile(adef, tr, loopTime); if(adef->bootStopping) bootStopIt = bootStop(tr, b, i, &pearsonAverage, adef->bootstopCutoff); } bootstrapsPerformed = i; freeParams(catParams); free(catParams); freeParams(gammaParams); free(gammaParams); if(adef->bootStopping) { for(j = 0; j < b->n; j++) { if(b->b[j].entries != (int *)NULL) free(b->b[j].entries); free(b->b[j].isSet); } free(b->b); free(b); } if(!adef->allInOne) { double t = gettime() - masterTime; infoFile = fopen(infoFileName, "a"); printf("\n\n"); fprintf(infoFile, "\n\n"); if(adef->bootStopping) { printf("Stopped Rapid BS search after %d replicates with Bootstopping criterion\n", bootstrapsPerformed); printf("Pearson Average of 100 random splits: %f\n", pearsonAverage); fprintf(infoFile, "Stopped Rapid BS search after %d replicates with Bootstopping criterion\n", bootstrapsPerformed); fprintf(infoFile, "Pearson Average of 100 random splits: %f\n", pearsonAverage); } printf("Overall Time for %d Rapid Bootstraps %f\n", bootstrapsPerformed, t); fprintf(infoFile, "Overall Time for %d Rapid Bootstraps %f\n", bootstrapsPerformed, t); printf("Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bootstrapsPerformed))); fprintf(infoFile, "Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bootstrapsPerformed))); printf("All %d bootstrapped trees written to: %s\n", bootstrapsPerformed, bootstrapFileName); fprintf(infoFile, "All %d bootstrapped trees written to: %s\n", bootstrapsPerformed, bootstrapFileName); fclose(infoFile); exit(0); } else { double t = gettime() - masterTime; infoFile = fopen(infoFileName, "a"); printf("\n\n"); fprintf(infoFile, "\n\n"); if(adef->bootStopping) { printf("Stopped Rapid BS search after %d replicates with Bootstopping criterion\n", bootstrapsPerformed); printf("Pearson Average of 100 random splits: %f\n", pearsonAverage); fprintf(infoFile, "Stopped Rapid BS search after %d replicates with Bootstopping criterion\n", bootstrapsPerformed); fprintf(infoFile, "Pearson Average of 100 random splits: %f\n", pearsonAverage); } printf("Overall Time for %d Rapid Bootstraps %f\n", bootstrapsPerformed, t); fprintf(infoFile, "Overall Time for %d Rapid Bootstraps %f\n", bootstrapsPerformed, t); printf("Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bootstrapsPerformed))); fprintf(infoFile, "Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bootstrapsPerformed))); fclose(infoFile); } /* ML-search */ mlTime = gettime(); infoFile = fopen(infoFileName, "a"); printf("\nStarting ML Search ...\n\n"); fprintf(infoFile, "\nStarting ML Search ...\n\n"); fclose(infoFile); /***CLEAN UP reduction stuff */ reductionCleanup(tr, adef, originalRateCategories, originalInvariant); /****/ catToGamma(tr, adef); restoreTL(rl, tr, 0); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); modOpt(tr, adef); evaluateGenericInitrav(tr, tr->start); categorizeGeneric(tr, tr->start); gammaToCat(tr, adef); #ifdef _DEBUG_AA { double *vector = (double *)malloc(sizeof(double) * tr->cdta->endsite); for(i = 0; i < tr->NumberOfCategories; i++) printf("%d: %f\n", i, tr->cdta->patrat[i]); evaluateGenericInitrav(tr, tr->start); printf("INITRAV %f\n", tr->likelihood); evaluateGenericVector (tr, tr->start, vector); for(i = 0; i < tr->cdta->endsite; i++) printf("%d %f %f %f %d\n", tr->cdta->rateCategory[i], vector[i], tr->cdta->wr[i], tr->cdta->wr2[i], tr->cdta->aliaswgt[i]); } #endif if(adef->bootStopping) { if(bootstrapsPerformed <= 100) fastEvery = 5; else fastEvery = bootstrapsPerformed / 20; } else fastEvery = 5; #ifdef _DEBUG_AA for(i = 0; i < bootstrapsPerformed; i++) { restoreTL(rl, tr, i); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); printf("INI %d %f\n", i, tr->likelihood); treeEvaluate(tr, 1); assert(!isnan(tr->likelihood)); printf("EVAL %d %f\n", i, tr->likelihood); } #endif for(i = 0; i < bootstrapsPerformed; i++) { rl->t[i]->likelihood = unlikely; if(i % fastEvery == 0) { restoreTL(rl, tr, i); /* DEBUG: does that help? */ resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 1); optimizeRAPID(tr, adef); saveTL(rl, tr, i); } } infoFile = fopen(infoFileName, "a"); printf("Fast ML optimization finished\n\n"); fprintf(infoFile, "Fast ML optimization finished\n\n"); fclose(infoFile); qsort(&(rl->t[0]), bootstrapsPerformed, sizeof(topolRELL*), compareTopolRell); catToGamma(tr, adef); restoreTL(rl, tr, 0); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); #ifdef _DEBUG_AA printf("I1: %f\n", tr->likelihood); #endif modOpt(tr, adef); #ifdef _DEBUG_AA printf("I2: %f\n", tr->likelihood); #endif evaluateGenericInitrav(tr, tr->start); categorizeGeneric(tr, tr->start); gammaToCat(tr, adef); slowSearches = bootstrapsPerformed / 5; if(bootstrapsPerformed % 5 != 0) slowSearches++; slowSearches = MIN(slowSearches, 10); for(i = 0; i < slowSearches; i++) { restoreTL(rl, tr, i); rl->t[i]->likelihood = unlikely; evaluateGenericInitrav(tr, tr->start); #ifdef _DEBUG_AA printf("S1: %f\n", tr->likelihood); #endif treeEvaluate(tr, 1.0); #ifdef _DEBUG_AA printf("S2: %f\n", tr->likelihood); #endif thoroughOptimization(tr, adef, rl, i); #ifdef _DEBUG_AA printf("S3: %f\n", tr->likelihood); #endif } infoFile = fopen(infoFileName, "a"); printf("Slow ML optimization finished\n\n"); fprintf(infoFile, "Slow ML optimization finished\n\n"); fclose(infoFile); /*************************************************************************************************************/ catToGamma(tr, adef); bestIndex = -1; bestLH = unlikely; for(i = 0; i < slowSearches; i++) { #ifdef _DEBUG_AA printf("TL: rlMax %d rlmembers %d\n", rl->max, rl->members); #endif restoreTL(rl, tr, i); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); #ifdef _DEBUG_AA printf("R1: %f\n", tr->likelihood); #endif treeEvaluate(tr, 2); #ifdef _DEBUG_AA printf("R2: %f\n", tr->likelihood); #endif infoFile = fopen(infoFileName, "a"); #ifdef _DEBUG_AA printf("R3: %f\n", tr->likelihood); #endif printf("Slow ML Search %d Likelihood: %f\n", i, tr->likelihood); fprintf(infoFile, "Slow ML Search %d Likelihood: %f\n", i, tr->likelihood); fclose(infoFile); if(tr->likelihood > bestLH) { bestLH = tr->likelihood; bestIndex = i; } } restoreTL(rl, tr, bestIndex); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 2); Thorough = 1; tr->doCutoff = FALSE; treeOptimizeThorough(tr, 1, 10); modOpt(tr, adef); infoFile = fopen(infoFileName, "a"); printf("\nFinal ML Optimization Likelihood: %f\n", tr->likelihood); fprintf(infoFile, "\nFinal ML Optimization Likelihood: %f\n", tr->likelihood); printf("\nModel Information:\n\n"); fprintf(infoFile, "\nModel Information:\n\n"); for(model = 0; model < tr->NumberOfModels; model++) { double tl; char typeOfData[1024]; switch(tr->partitionData[model].dataType) { case AA_DATA: strcpy(typeOfData,"AA"); break; case DNA_DATA: strcpy(typeOfData,"DNA"); break; default: assert(0); } fprintf(infoFile, "Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); fprintf(infoFile, "alpha: %f\n", tr->alphas[model]); printf("Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); printf("alpha: %f\n", tr->alphas[model]); if(adef->useInvariant) { fprintf(infoFile, "invar: %f\n", tr->invariants[model]); printf("invar: %f\n", tr->invariants[model]); } if(adef->perGeneBranchLengths) tl = treeLength(tr, model); else tl = treeLength(tr, 0); fprintf(infoFile, "Tree-Length: %f\n", tl); printf("Tree-Length: %f\n", tl); switch(tr->partitionData[model].dataType) { case AA_DATA: break; case DNA_DATA: { int k; char *names[6] = {"a<->c", "a<->g", "a<->t", "c<->g", "c<->t", "g<->t"}; for(k = 0; k < DNA_RATES; k++) { fprintf(infoFile, "rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); printf("rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); } fprintf(infoFile, "rate %s: %f\n", names[5], 1.0); printf("rate %s: %f\n", names[5], 1.0); } break; default: assert(0); } fprintf(infoFile, "\n"); printf("\n"); } fclose(infoFile); strcpy(bestTreeFileName, workdir); strcat(bestTreeFileName, "RAxML_bestTree."); strcat(bestTreeFileName, run_id); Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, TRUE, adef, SUMMARIZE_LH); f = fopen(bestTreeFileName, "w"); fprintf(f, "%s", tr->tree_string); fclose(f); if(adef->perGeneBranchLengths) printTreePerGene(tr, adef, bestTreeFileName, "w"); infoFile = fopen(infoFileName, "a"); overallTime = gettime() - masterTime; mlTime = gettime() - mlTime; printf("\nML search took %f secs or %f hours\n", mlTime, mlTime / 3600.0); fprintf(infoFile, "\nML search took %f secs or %f hours\n", mlTime, mlTime / 3600.0); printf("\nCombined Bootstrap and ML search took %f secs or %f hours\n", overallTime, overallTime / 3600.0); fprintf(infoFile, "\nCombined Bootstrap and ML search took %f secs or %f hours\n", overallTime, overallTime / 3600.0); printf("\nDrawing Bootstrap Support Values on best-scoring ML tree ...\n\n"); fprintf(infoFile, "Drawing Bootstrap Support Values on best-scoring ML tree ...\n\n"); fclose(infoFile); freeTL(rl); free(rl); calcBipartitions(tr, adef, bestTreeFileName, bootstrapFileName); overallTime = gettime() - masterTime; printf("Program execution info written to %s\n", infoFileName); printf("All %d bootstrapped trees written to: %s\n\n", adef->multipleRuns, bootstrapFileName); printf("Best-scoring ML tree written to: %s\n\n", bestTreeFileName); if(adef->perGeneBranchLengths && tr->NumberOfModels > 1) printf("Per-Partition branch lengths of best-scoring ML tree written to %s.PARTITION.0 to %s.PARTITION.%d\n\n", bestTreeFileName, bestTreeFileName, tr->NumberOfModels - 1); printf("Best-scoring ML tree with support values written to: %s\n\n", bipartitionsFileName); printf("Overall execution time for full ML analysis: %f secs or %f hours or %f days\n\n", overallTime, overallTime/3600.0, overallTime/86400.0); infoFile = fopen(infoFileName, "a"); fprintf(infoFile, "All %d bootstrapped trees written to: %s\n\n", adef->multipleRuns, bootstrapFileName); fprintf(infoFile, "Best-scoring ML tree written to: %s\n\n", bestTreeFileName); if(adef->perGeneBranchLengths && tr->NumberOfModels > 1) fprintf(infoFile, "Per-Partition branch lengths of best-scoring ML tree written to %s.PARTITION.0 to %s.PARTITION.%d\n\n", bestTreeFileName, bestTreeFileName, tr->NumberOfModels - 1); fprintf(infoFile, "Best-scoring ML tree with support values written to: %s\n\n", bipartitionsFileName); fprintf(infoFile, "Overall execution time for full ML analysis: %f secs or %f hours or %f days\n\n", overallTime, overallTime/3600.0, overallTime/86400.0); fclose(infoFile); exit(0); } #ifdef _VINCENT void doAllInOneVincent(tree *tr, analdef *adef) { int i, j, n, sites, bestIndex, model, bootstrapsPerformed; double loopTime; int *originalRateCategories; int slowSearches, fastEvery = 5; topolRELL_LIST *rl; double bestLH, mlTime, overallTime; long radiusSeed = adef->rapidBoot; FILE *infoFile, *f; char bestTreeFileName[1024]; BL *b = (BL *)NULL; boolean bootStopIt = FALSE; double pearsonAverage = 0.0; boolean optimizeModel = adef->optimizeBSmodel; n = adef->multipleRuns; originalRateCategories = (int*)calloc(tr->cdta->endsite, sizeof(int)); sites = tr->cdta->endsite; assert((adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA) && (tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I)); initModel(tr, tr->rdta, tr->cdta, adef); makeParsimonyTree(tr, adef); allocNodex(tr, adef); if(!optimizeModel) { modOpt(tr, adef); printf("Initial Model Optimization: %f\n", tr->likelihood); } for(i = 0; i < n; i++) { tr->treeID = i; tr->checkPointCounter = 0; loopTime = gettime(); computeNextReplicate(tr, adef, originalRateCategories); if(i % 10 == 0) { freeNodex(tr); makeParsimonyTree(tr, adef); allocNodex(tr, adef); } else { freeNodex(tr); allocNodex(tr, adef); } if(optimizeModel) { initModel(tr, tr->rdta, tr->cdta, adef); modOpt(tr, adef); /*printf("Bootstrap[%d]: Intermediate Model Optimization: %f\n", i, tr->likelihood);*/ } else { resetBranches(tr); tr->likelihood = unlikely; onlyInitrav(tr, tr->start); treeEvaluate(tr, 1); /*printf("Bootstrap[%d]: Without Model Optimization: %f\n", i, tr->likelihood);*/ } computeBOOTRAPID(tr, adef, &radiusSeed); printBootstrapResult(tr, adef, TRUE); loopTime = gettime() - loopTime; writeInfoFile(adef, tr, loopTime); } bootstrapsPerformed = i; { double t = gettime() - masterTime; infoFile = fopen(infoFileName, "a"); printf("\n\n"); fprintf(infoFile, "\n\n"); printf("Overall Time for %d Rapid Bootstraps %f\n", bootstrapsPerformed, t); fprintf(infoFile, "Overall Time for %d Rapid Bootstraps %f\n", bootstrapsPerformed, t); printf("Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bootstrapsPerformed))); fprintf(infoFile, "Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bootstrapsPerformed))); printf("All %d bootstrapped trees written to: %s\n", bootstrapsPerformed, bootstrapFileName); fprintf(infoFile, "All %d bootstrapped trees written to: %s\n", bootstrapsPerformed, bootstrapFileName); fclose(infoFile); exit(0); } } #endif /*******************************************EXPERIMENTAL FUNCTIONS END *****************************************************/ void doBootstrap(tree *tr, analdef *adef, rawdata *rdta, cruncheddata *cdta) { int i, n; double loopTime; n = adef->multipleRuns; for(i = 0; i < n; i++) { loopTime = gettime(); if(adef->multiBoot < 2) singleBootstrap(tr, i, adef, rdta, cdta); else multipleBootstrap(tr, i, adef, rdta, cdta); loopTime = gettime() - loopTime; writeInfoFile(adef, tr, loopTime); } } void doInference(tree *tr, analdef *adef, rawdata *rdta, cruncheddata *cdta) { int i, n; double loopTime; n = adef->multipleRuns; for(i = 0; i < n; i++) { tr->treeID = i; tr->checkPointCounter = 0; loopTime = gettime(); if(i > 0) initModel(tr, rdta, cdta, adef); getStartingTree(tr, adef); computeBIGRAPID(tr, adef); if(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA || tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { modOpt(tr, adef); printLog(tr, adef, TRUE); printResult(tr, adef, TRUE); loopTime = gettime() - loopTime; tr->likelihoods[i] = tr->likelihood; freeNodex(tr); } else { if(adef->useMixedModel) { tr->likelihood = unlikely; catToGamma(tr, adef); initModel(tr, rdta, cdta, adef); modOpt(tr, adef); printLog(tr, adef, TRUE); printResult(tr, adef, TRUE); loopTime = gettime() - loopTime; tr->likelihoods[i] = tr->likelihood; gammaToParsimony(tr, adef); } else { loopTime = gettime() - loopTime; tr->likelihoods[i] = tr->likelihood; freeNodex(tr); } } writeInfoFile(adef, tr, loopTime); } } #else #include extern int processID; extern int numOfWorkers; static void sendTree(tree *tr, analdef *adef, double t, boolean finalPrint, int tag) { int bufferSize, i, bufCount; double *buffer; char *tree_ptr; bufferSize = tr->treeStringLength + 4 + tr->NumberOfModels + tr->NumberOfModels; buffer = (double *)malloc(sizeof(double) * bufferSize); bufCount = 0; buffer[bufCount++] = (double) adef->bestTrav; buffer[bufCount++] = (double) tr->treeID; buffer[bufCount++] = tr->likelihood; buffer[bufCount++] = t; for(i = 0; i < tr->NumberOfModels; i++) buffer[bufCount++] = tr->alphas[i]; for(i = 0; i < tr->NumberOfModels; i++) buffer[bufCount++] = tr->invariants[i]; if(adef->boot || adef->rapidBoot) { if(adef->bootstrapBranchLengths) Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, finalPrint, adef, SUMMARIZE_LH); else Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); } else { if((adef->model == M_GTRCAT || adef->model == M_PROTCAT) && (adef->useMixedModel == 0)) Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, finalPrint, adef, NO_BRANCHES); else Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, finalPrint, adef, SUMMARIZE_LH); } tree_ptr = tr->tree_string; while(*tree_ptr != ';') buffer[bufCount++] = (double)*tree_ptr++; buffer[bufCount++] = (double)(';'); buffer[bufCount++] = (double)('\n'); MPI_Send(buffer, bufferSize, MPI_DOUBLE, 0, tag, MPI_COMM_WORLD); free(buffer); } static void receiveTree(tree *tr, analdef *adef, int workerID, double *t, int tag) { int bufferSize, i, bufCount; double *buffer, *buf_ptr; char *tree_ptr, content; MPI_Status msgStatus; bufferSize = tr->treeStringLength + 4 + tr->NumberOfModels + tr->NumberOfModels; buffer = (double *)malloc(sizeof(double) * bufferSize); MPI_Recv(buffer, bufferSize, MPI_DOUBLE, workerID, tag, MPI_COMM_WORLD, &msgStatus); bufCount = 0; adef->bestTrav = (int)buffer[bufCount++]; tr->treeID = (int) buffer[bufCount++]; tr->likelihood = buffer[bufCount++]; *t = buffer[bufCount++]; tr->likelihoods[tr->treeID] = tr->likelihood; for(i = 0; i < tr->NumberOfModels; i++) tr->alphas[i] = buffer[bufCount++]; for(i = 0; i < tr->NumberOfModels; i++) tr->invariants[i] = buffer[bufCount++]; buf_ptr = &buffer[bufCount]; tree_ptr = tr->tree_string; while((content = (char)(buffer[bufCount++])) != ';') { *tree_ptr++ = content; } *tree_ptr++ = ';'; *tree_ptr++ = '\n'; #ifdef DEBUG printf("Received tree %s\n", tr->tree_string); #endif free(buffer); } void doBootstrap(tree *tr, analdef *adef, rawdata *rdta, cruncheddata *cdta) { int i, n, dummy; double loopTime; MPI_Status msgStatus; n = adef->multipleRuns; if(processID == 0) { int jobsSent = 0; int jobsReceived = n; while(jobsReceived > 0) { MPI_Probe(MPI_ANY_SOURCE, MPI_ANY_TAG, MPI_COMM_WORLD, &msgStatus); switch(msgStatus.MPI_TAG) { case JOB_REQUEST: #ifdef DEBUG printf("Master receiving work request from worker %d\n", msgStatus.MPI_SOURCE); #endif MPI_Recv(&dummy, 1, MPI_INT, msgStatus.MPI_SOURCE, JOB_REQUEST, MPI_COMM_WORLD, &msgStatus); if(jobsSent < n) { MPI_Send(&jobsSent, 1, MPI_INT, msgStatus.MPI_SOURCE, COMPUTE_TREE, MPI_COMM_WORLD); #ifdef DEBUG printf("Master sending job %d to worker %d\n", jobsSent, msgStatus.MPI_SOURCE); #endif jobsSent++; } break; case TREE: #ifdef DEBUG printf("--------> Master receiving tree from worker %d\n", msgStatus.MPI_SOURCE); #endif receiveTree(tr, adef, msgStatus.MPI_SOURCE, &loopTime, TREE); printBootstrapResult(tr, adef, TRUE); printf("Bootstrap[%d] completed\n", tr->treeID); writeInfoFile(adef, tr, loopTime); jobsReceived--; if(jobsSent < n) { MPI_Send(&jobsSent, 1, MPI_INT, msgStatus.MPI_SOURCE, COMPUTE_TREE, MPI_COMM_WORLD); #ifdef DEBUG printf("Master sending job %d to worker %d\n", jobsSent, msgStatus.MPI_SOURCE); #endif jobsSent++; } break; } } for(i = 1; i < numOfWorkers; i++) { MPI_Send(&dummy, 1, MPI_INT, i, FINALIZE, MPI_COMM_WORLD); #ifdef DEBUG printf("Master sending FINALIZE to worker %d\n", i); #endif } return; } else { int treeCounter = 0; MPI_Send(&dummy, 1, MPI_INT, 0, JOB_REQUEST, MPI_COMM_WORLD); #ifdef DEBUG printf("Worker %d sending job request to master\n", processID); #endif while(1) { MPI_Probe(0, MPI_ANY_TAG, MPI_COMM_WORLD, &msgStatus); switch(msgStatus.MPI_TAG) { case COMPUTE_TREE: MPI_Recv(&dummy, 1, MPI_INT, 0, COMPUTE_TREE, MPI_COMM_WORLD, &msgStatus); #ifdef DEBUG printf("Worker %d receiving job %d from master\n", processID, dummy); #endif loopTime = masterTime = gettime(); if(adef->multiBoot < 2) singleBootstrap(tr, dummy, adef, rdta, cdta); else multipleBootstrap(tr, dummy, adef, rdta, cdta); treeCounter++; loopTime = gettime() - loopTime; sendTree(tr, adef, loopTime, TRUE, TREE); break; case FINALIZE: MPI_Recv(&dummy, 1, MPI_INT, 0, FINALIZE, MPI_COMM_WORLD, &msgStatus); #ifdef DEBUG printf("Worker %d receiving FINALIZE %d\n", processID); #endif return; } } } } void doInference(tree *tr, analdef *adef, rawdata *rdta, cruncheddata *cdta) { int i, n, dummy; double loopTime; MPI_Status msgStatus; n = adef->multipleRuns; if(processID == 0) { int jobsSent = 0; int jobsReceived = n; while(jobsReceived > 0) { MPI_Probe(MPI_ANY_SOURCE, MPI_ANY_TAG, MPI_COMM_WORLD, &msgStatus); switch(msgStatus.MPI_TAG) { case JOB_REQUEST: #ifdef DEBUG printf("Master receiving work request from worker %d\n", msgStatus.MPI_SOURCE); #endif MPI_Recv(&dummy, 1, MPI_INT, msgStatus.MPI_SOURCE, JOB_REQUEST, MPI_COMM_WORLD, &msgStatus); if(jobsSent < n) { MPI_Send(&jobsSent, 1, MPI_INT, msgStatus.MPI_SOURCE, COMPUTE_TREE, MPI_COMM_WORLD); #ifdef DEBUG printf("Master snding job %d to worker %d\n", jobsSent, msgStatus.MPI_SOURCE); #endif jobsSent++; } break; case TREE: #ifdef DEBUG printf("--------> Master receiving tree from worker %d\n", msgStatus.MPI_SOURCE); #endif receiveTree(tr, adef, msgStatus.MPI_SOURCE, &loopTime, TREE); printf("Inference[%d] completed\n", tr->treeID); writeInfoFile(adef, tr, loopTime); jobsReceived--; if(jobsSent < n) { MPI_Send(&jobsSent, 1, MPI_INT, msgStatus.MPI_SOURCE, COMPUTE_TREE, MPI_COMM_WORLD); #ifdef DEBUG printf("Master sending job %d to worker %d\n", jobsSent, msgStatus.MPI_SOURCE); #endif jobsSent++; } break; } } for(i = 1; i < numOfWorkers; i++) { MPI_Send(&dummy, 1, MPI_INT, i, FINALIZE, MPI_COMM_WORLD); #ifdef DEBUG printf("Master sending FINALIZE to worker %d\n", i); #endif } return; } else { int treeCounter = 0; MPI_Send(&dummy, 1, MPI_INT, 0, JOB_REQUEST, MPI_COMM_WORLD); #ifdef DEBUG printf("Worker %d sending job request to master\n", processID); #endif while(1) { MPI_Probe(0, MPI_ANY_TAG, MPI_COMM_WORLD, &msgStatus); switch(msgStatus.MPI_TAG) { case COMPUTE_TREE: MPI_Recv(&dummy, 1, MPI_INT, 0, COMPUTE_TREE, MPI_COMM_WORLD, &msgStatus); #ifdef DEBUG printf("Worker %d receiving job %d from master\n", processID, dummy); #endif loopTime = masterTime = gettime(); tr->treeID = dummy; tr->checkPointCounter = 0; if(treeCounter > 0) initModel(tr, rdta, cdta, adef); treeCounter++; getStartingTree(tr, adef); computeBIGRAPID(tr, adef); if(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA) { modOpt(tr, adef); printLog(tr, adef, TRUE); printResult(tr, adef, TRUE); loopTime = gettime() - loopTime; freeNodex(tr); } else { if(adef->useMixedModel) { tr->likelihood = unlikely; catToGamma(tr, adef); initModel(tr, rdta, cdta, adef); modOpt(tr, adef); printLog(tr, adef, TRUE); printResult(tr, adef, TRUE); loopTime = gettime() - loopTime; gammaToParsimony(tr, adef); } else { loopTime = gettime() - loopTime; freeNodex(tr); } } sendTree(tr, adef, loopTime, TRUE, TREE); break; case FINALIZE: MPI_Recv(&dummy, 1, MPI_INT, 0, FINALIZE, MPI_COMM_WORLD, &msgStatus); #ifdef DEBUG printf("Worker %d receiving FINALIZE %d\n", processID); #endif return; } } } } static void allInOneMaster(tree *tr, analdef *adef) { MPI_Status msgStatus; double loopTime; int workers = numOfWorkers - 1; int i, width, dummy, whoHasBestTree = -1; int bsCount, bsTotal; int mlCount, mlTotal; int finished = FALSE; FILE *infoFile; double bestLikelihood = unlikely; if(adef->multipleRuns % workers == 0) width = adef->multipleRuns / workers; else width = (adef->multipleRuns / workers) + 1; bsCount = 0; mlCount = 0; bsTotal = width * workers; mlTotal = workers; free(tr->likelihoods); tr->likelihoods = (double *)malloc((width * workers + workers) * sizeof(double)); if(adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA || tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { printf("\nSwitching from GAMMA to CAT for rapid Bootstrap, final ML search will be conducted under the %s model you specified\n", (adef->useInvariant)?"GAMMA+P-Invar":"GAMMA"); infoFile = fopen(infoFileName, "a"); fprintf(infoFile, "\nSwitching from GAMMA to CAT for rapid Bootstrap, final ML search will be conducted under the %s model you specified\n", (adef->useInvariant)?"GAMMA+P-Invar":"GAMMA"); fclose(infoFile); } while(! finished) { MPI_Probe(MPI_ANY_SOURCE, MPI_ANY_TAG, MPI_COMM_WORLD, &msgStatus); switch(msgStatus.MPI_TAG) { case BS_TREE: receiveTree(tr, adef, msgStatus.MPI_SOURCE, &loopTime, BS_TREE); #ifdef DEBUG printf("Received BS TREE %d %f\n", bsCount, tr->likelihood); #endif printBootstrapResult(tr, adef, TRUE); writeInfoFile(adef, tr, loopTime); bsCount++; break; case ML_TREE: receiveTree(tr, adef, msgStatus.MPI_SOURCE, &loopTime, ML_TREE); if(tr->likelihood > bestLikelihood) { bestLikelihood = tr->likelihood; whoHasBestTree = msgStatus.MPI_SOURCE; } #ifdef DEBUG printf("Received ML TREE %d %f ID %d\n", mlCount, tr->likelihood, tr->treeID); #endif mlCount++; break; default: assert(0); } if(adef->allInOne) finished = (bsCount == bsTotal && mlCount == mlTotal); else finished = (bsCount == bsTotal); if(adef->allInOne && bsCount == bsTotal && mlCount == 0) { double t = gettime() - masterTime; infoFile = fopen(infoFileName, "a"); printf("\n\n"); fprintf(infoFile, "\n\n"); if(adef->bootStopping) { assert(0); } printf("Overall Time for %d Rapid Bootstraps %f\n", bsCount, t); fprintf(infoFile, "Overall Time for %d Rapid Bootstraps %f\n", bsCount, t); printf("Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bsCount))); fprintf(infoFile, "Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bsCount))); fclose(infoFile); } if(finished) { if(adef->allInOne) { double overallTime; char bestTreeFileName[1024]; strcpy(bestTreeFileName, workdir); strcat(bestTreeFileName, "RAxML_bestTree."); strcat(bestTreeFileName, run_id); assert(whoHasBestTree > 0 && whoHasBestTree < numOfWorkers); #ifdef DEBUG printf("worker %d xas mpest tri with %f \n", whoHasBestTree, bestLikelihood); #endif MPI_Send(&dummy, 1, MPI_INT, whoHasBestTree, PRINT_TREE, MPI_COMM_WORLD); MPI_Recv(&dummy, 1, MPI_INT, whoHasBestTree, I_PRINTED_IT, MPI_COMM_WORLD, &msgStatus); overallTime = gettime() - masterTime; printf("Program execution info written to %s\n", infoFileName); printf("All %d bootstrapped trees written to: %s\n\n", bsCount, bootstrapFileName); printf("Best-scoring ML tree written to: %s\n\n", bestTreeFileName); if(adef->perGeneBranchLengths && tr->NumberOfModels > 1) printf("Per-Partition branch lengths of best-scoring ML tree written to %s.PARTITION.0 to %s.PARTITION.%d\n\n", bestTreeFileName, bestTreeFileName, tr->NumberOfModels - 1); printf("Best-scoring ML tree with support values written to: %s\n\n", bipartitionsFileName); printf("Overall execution time for full ML analysis: %f secs or %f hours or %f days\n\n", overallTime, overallTime/3600.0, overallTime/86400.0); infoFile = fopen(infoFileName, "a"); fprintf(infoFile, "All %d bootstrapped trees written to: %s\n\n", bsCount, bootstrapFileName); fprintf(infoFile, "Best-scoring ML tree written to: %s\n\n", bestTreeFileName); if(adef->perGeneBranchLengths && tr->NumberOfModels > 1) fprintf(infoFile, "Per-Partition branch lengths of best-scoring ML tree written to %s.PARTITION.0 to %s.PARTITION.%d\n\n" , bestTreeFileName, bestTreeFileName, tr->NumberOfModels - 1); fprintf(infoFile, "Best-scoring ML tree with support values written to: %s\n\n", bipartitionsFileName); fprintf(infoFile, "Overall execution time for full ML analysis: %f secs or %f hours or %f days\n\n", overallTime, overallTime/3600.0, overallTime/86400.0); fclose(infoFile); } else { double t = gettime() - masterTime; infoFile = fopen(infoFileName, "a"); printf("\n\n"); fprintf(infoFile, "\n\n"); if(adef->bootStopping) { assert(0); } printf("Overall Time for %d Rapid Bootstraps %f\n", bsCount, t); fprintf(infoFile, "Overall Time for %d Rapid Bootstraps %f\n", bsCount, t); printf("Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bsCount))); fprintf(infoFile, "Average Time per Rapid Bootstrap %f\n", (double)(t/((double)bsCount))); printf("All %d bootstrapped trees written to: %s\n", bsCount, bootstrapFileName); fprintf(infoFile, "All %d bootstrapped trees written to: %s\n", bsCount, bootstrapFileName); fclose(infoFile); } for(i = 1; i < numOfWorkers; i++) MPI_Send(&dummy, 1, MPI_INT, i, FINALIZE, MPI_COMM_WORLD); } } MPI_Finalize(); exit(0); } static void allInOneWorker(tree *tr, analdef *adef) { int dummy, NumberOfLocalTrees; MPI_Status msgStatus; if(adef->multipleRuns % (numOfWorkers - 1) == 0) NumberOfLocalTrees = adef->multipleRuns / (numOfWorkers - 1); else NumberOfLocalTrees = (adef->multipleRuns / (numOfWorkers - 1)) + 1; #ifdef DEBUG printf("Worker %d %d\n", processID, NumberOfLocalTrees); #endif /* re-initialize adfe->rapidBoot, otherwise the workers will be doing the exact same replicates */ adef->rapidBoot = (long)gettimeSrand(); /* the one below is kind of an ugly fix, but who cares */ tr->treeID = NumberOfLocalTrees * (processID - 1); { int i, n, sites, bestIndex, model, bootstrapsPerformed; double loopTime = 0.0; int *originalRateCategories; int *originalInvariant; int slowSearches, fastEvery = 5; topolRELL_LIST *rl; double bestLH, mlTime; long radiusSeed = adef->rapidBoot; FILE *infoFile, *f; char bestTreeFileName[1024]; modelParams *catParams = (modelParams *)malloc(sizeof(modelParams)); modelParams *gammaParams = (modelParams *)malloc(sizeof(modelParams)); allocParams(catParams, tr); allocParams(gammaParams, tr); n = NumberOfLocalTrees; rl = (topolRELL_LIST *)malloc(sizeof(topolRELL_LIST)); initTL(rl, tr, n); originalRateCategories = (int*)malloc(tr->cdta->endsite * sizeof(int)); originalInvariant = (int*)malloc(tr->cdta->endsite * sizeof(int)); sites = tr->cdta->endsite; if(adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA || tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I); assert(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA); tr->rateHetModel = CAT; switch(adef->model) { case M_GTRGAMMA: adef->model = M_GTRCAT; break; case M_PROTGAMMA: adef->model = M_PROTCAT; break; default: assert(0); } initModel(tr, tr->rdta, tr->cdta, adef); } for(i = 0; i < n; i++) { tr->checkPointCounter = 0; loopTime = gettime(); if(i % 10 == 0) { if(i > 0) { freeNodex(tr); reductionCleanup(tr, adef, originalRateCategories, originalInvariant); } makeParsimonyTree(tr, adef); allocNodex(tr, adef); tr->likelihood = unlikely; if(i == 0) { double t; onlyInitrav(tr, tr->start); treeEvaluate(tr, 1); t = gettime(); quickOpt(tr, adef); memcpy(originalRateCategories, tr->cdta->rateCategory, sizeof(int) * tr->cdta->endsite); memcpy(originalInvariant, tr->invariant, sizeof(int) * tr->cdta->endsite); if(adef->bootstrapBranchLengths) { storeParams(catParams, tr); assert(tr->cdta->endsite == tr->originalCrunchedLength); catToGamma(tr, adef); modOpt(tr, adef); storeParams(gammaParams, tr); gammaToCat(tr, adef); loadParams(catParams, tr); } } } computeNextReplicate(tr, adef, originalRateCategories, originalInvariant); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 1); computeBOOTRAPID(tr, adef, &radiusSeed); saveTL(rl, tr, i); if(adef->bootstrapBranchLengths) { double lh = tr->likelihood; int endsite; loadParams(gammaParams, tr); endsite = tr->cdta->endsite; tr->cdta->endsite = tr->originalCrunchedLength; catToGamma(tr, adef); tr->cdta->endsite = endsite; resetBranches(tr); treeEvaluate(tr, 2.0); endsite = tr->cdta->endsite; tr->cdta->endsite = tr->originalCrunchedLength; gammaToCat(tr, adef); tr->cdta->endsite = endsite; loadParams(catParams, tr); tr->likelihood = lh; } loopTime = gettime() - loopTime; sendTree(tr, adef, loopTime, TRUE, BS_TREE); if(adef->bootStopping) { assert(0); /*bootStopIt = bootStop(tr, b, i, &pearsonAverage);*/ } tr->treeID = tr->treeID + 1; } bootstrapsPerformed = i; if(!adef->allInOne) { MPI_Recv(&dummy, 1, MPI_INT, 0, FINALIZE, MPI_COMM_WORLD, &msgStatus); MPI_Finalize(); exit(0); } freeParams(catParams); free(catParams); freeParams(gammaParams); free(gammaParams); tr->treeID = NumberOfLocalTrees * (numOfWorkers - 1) + (processID - 1); mlTime = gettime(); #ifdef DEBUG printf("\nWorker %d Starting ML Search ...\n\n", processID); #endif reductionCleanup(tr, adef, originalRateCategories, originalInvariant); catToGamma(tr, adef); restoreTL(rl, tr, 0); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); modOpt(tr, adef); evaluateGenericInitrav(tr, tr->start); categorizeGeneric(tr, tr->start); gammaToCat(tr, adef); fastEvery = 5; for(i = 0; i < bootstrapsPerformed; i++) { rl->t[i]->likelihood = unlikely; if(i % fastEvery == 0) { restoreTL(rl, tr, i); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 1); optimizeRAPID(tr, adef); saveTL(rl, tr, i); } } #ifdef DEBUG printf("Worker %d Fast ML optimization finished\n\n", processID); #endif qsort(&(rl->t[0]), bootstrapsPerformed, sizeof(topolRELL*), compareTopolRell); catToGamma(tr, adef); restoreTL(rl, tr, 0); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); modOpt(tr, adef); evaluateGenericInitrav(tr, tr->start); categorizeGeneric(tr, tr->start); gammaToCat(tr, adef); slowSearches = bootstrapsPerformed / 5; if(bootstrapsPerformed % 5 != 0) slowSearches++; slowSearches = MIN(slowSearches, 10); for(i = 0; i < slowSearches; i++) { restoreTL(rl, tr, i); rl->t[i]->likelihood = unlikely; evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 1.0); thoroughOptimization(tr, adef, rl, i); } #ifdef DEBUG printf("Worker %d Slow ML optimization finished\n\n", processID); #endif catToGamma(tr, adef); bestIndex = -1; bestLH = unlikely; for(i = 0; i < slowSearches; i++) { restoreTL(rl, tr, i); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 2); #ifdef DEBUG printf("Worker %d Slow ML Search %d Likelihood: %f\n", processID, i, tr->likelihood); #endif if(tr->likelihood > bestLH) { bestLH = tr->likelihood; bestIndex = i; } } restoreTL(rl, tr, bestIndex); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 2); Thorough = 1; tr->doCutoff = FALSE; treeOptimizeThorough(tr, 1, 10); modOpt(tr, adef); sendTree(tr, adef, loopTime, TRUE, ML_TREE); while(1) { MPI_Probe(0, MPI_ANY_TAG, MPI_COMM_WORLD, &msgStatus); switch(msgStatus.MPI_TAG) { case FINALIZE: MPI_Recv(&dummy, 1, MPI_INT, 0, FINALIZE, MPI_COMM_WORLD, &msgStatus); MPI_Finalize(); exit(0); break; case PRINT_TREE: MPI_Recv(&dummy, 1, MPI_INT, 0, PRINT_TREE, MPI_COMM_WORLD, &msgStatus); #ifdef DEBUG printf("Ox malaka eimai o %d kai prepi na printaro to dentro %f re pousti \n", processID, tr->likelihood); #endif infoFile = fopen(infoFileName, "a"); printf("\nFinal ML Optimization Likelihood: %f\n", tr->likelihood); fprintf(infoFile, "\nFinal ML Optimization Likelihood: %f\n", tr->likelihood); printf("\nModel Information:\n\n"); fprintf(infoFile, "\nModel Information:\n\n"); for(model = 0; model < tr->NumberOfModels; model++) { double tl; char typeOfData[1024]; switch(tr->partitionData[model].dataType) { case AA_DATA: strcpy(typeOfData,"AA"); break; case DNA_DATA: strcpy(typeOfData,"DNA"); break; default: assert(0); } fprintf(infoFile, "Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); fprintf(infoFile, "alpha: %f\n", tr->alphas[model]); printf("Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); printf("alpha: %f\n", tr->alphas[model]); if(adef->useInvariant) { fprintf(infoFile, "invar: %f\n", tr->invariants[model]); printf("invar: %f\n", tr->invariants[model]); } if(adef->perGeneBranchLengths) tl = treeLength(tr, model); else tl = treeLength(tr, 0); fprintf(infoFile, "Tree-Length: %f\n", tl); printf("Tree-Length: %f\n", tl); switch(tr->partitionData[model].dataType) { case AA_DATA: break; case DNA_DATA: { int k; char *names[6] = {"a<->c", "a<->g", "a<->t", "c<->g", "c<->t", "g<->t"}; for(k = 0; k < DNA_RATES; k++) { fprintf(infoFile, "rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); printf("rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); } fprintf(infoFile, "rate %s: %f\n", names[5], 1.0); printf("rate %s: %f\n", names[5], 1.0); } break; default: assert(0); } fprintf(infoFile, "\n"); printf("\n"); } fclose(infoFile); strcpy(bestTreeFileName, workdir); strcat(bestTreeFileName, "RAxML_bestTree."); strcat(bestTreeFileName, run_id); Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, TRUE, adef, SUMMARIZE_LH); f = fopen(bestTreeFileName, "w"); fprintf(f, "%s", tr->tree_string); fclose(f); if(adef->perGeneBranchLengths) printTreePerGene(tr, adef, bestTreeFileName, "w"); infoFile = fopen(infoFileName, "a"); printf("\nDrawing Bootstrap Support Values on best-scoring ML tree ...\n\n"); fprintf(infoFile, "Drawing Bootstrap Support Values on best-scoring ML tree ...\n\n"); fclose(infoFile); freeTL(rl); free(rl); calcBipartitions(tr, adef, bestTreeFileName, bootstrapFileName); MPI_Send(&dummy, 1, MPI_INT, 0, I_PRINTED_IT, MPI_COMM_WORLD); break; default: assert(0); } } } } void doAllInOne(tree *tr, analdef *adef) { if(processID == 0) allInOneMaster(tr, adef); else allInOneWorker(tr, adef); } #endif ./arbsrc_9167/GDE/RAxML/newviewGeneric.c0000644012664100000130000046366311213220010017606 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" #ifdef _USE_PTHREADS #include extern int NumberOfThreads; extern pthread_mutex_t jobMutex; extern pthread_cond_t jobCond; #endif static void newviewGTRCAT( traversalInfo *ti, double *EV, double *EI, double *EIGN, double *rptr, int *cptr, double *x1_start, double *x2_start, double *x3_start, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int lower, int n, int numberOfCategories, double z1, double z2) { double *left, *left_start, *x1, *x2, *x3; double d1c, d1g, d1t, d2c, d2g, d2t, ump_x1_1, ump_x1_2, ump_x1_3, ump_x1_0, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3, x1px2, ki, lz10, lz11, lz12, lz20, lz21, lz22; int i; left_start = left = (double *)malloc(24 * numberOfCategories * sizeof(double)); lz10 = EIGN[0] * z1; lz11 = EIGN[1] * z1; lz12 = EIGN[2] * z1; lz20 = EIGN[0] * z2; lz21 = EIGN[1] * z2; lz22 = EIGN[2] * z2; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; d1c = exp(ki * lz10); d1g = exp(ki * lz11); d1t = exp(ki * lz12); *left++ = d1c * EI[0]; *left++ = d1g * EI[1]; *left++ = d1t * EI[2]; *left++ = d1c * EI[3]; *left++ = d1g * EI[4]; *left++ = d1t * EI[5]; *left++ = d1c * EI[6]; *left++ = d1g * EI[7]; *left++ = d1t * EI[8]; *left++ = d1c * EI[9]; *left++ = d1g * EI[10]; *left++ = d1t * EI[11]; d2c = exp(ki * lz20); d2g = exp(ki * lz21); d2t = exp(ki * lz22); *left++ = d2c * EI[0]; *left++ = d2g * EI[1]; *left++ = d2t * EI[2]; *left++ = d2c * EI[3]; *left++ = d2g * EI[4]; *left++ = d2t * EI[5]; *left++ = d2c * EI[6]; *left++ = d2g * EI[7]; *left++ = d2t * EI[8]; *left++ = d2c * EI[9]; *left++ = d2g * EI[10]; *left++ = d2t * EI[11]; } switch(ti->tipCase) { case TIP_TIP: { for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &(tipVector[4 * tipX2[i]]); x3 = &x3_start[4 * i]; left = &left_start[cptr[i] * 24]; ump_x1_0 = x1[0]; ump_x1_0 += x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_1 = x1[0]; ump_x1_1 += x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_2 = x1[0]; ump_x1_2 += x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_3 = x1[0]; ump_x1_3 += x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x2_0 = x2[0]; ump_x2_0 += x2[1] * *left++; ump_x2_0 += x2[2] * *left++; ump_x2_0 += x2[3] * *left++; ump_x2_1 = x2[0]; ump_x2_1 += x2[1] * *left++; ump_x2_1 += x2[2] * *left++; ump_x2_1 += x2[3] * *left++; ump_x2_2 = x2[0]; ump_x2_2 += x2[1] * *left++; ump_x2_2 += x2[2] * *left++; ump_x2_2 += x2[3] * *left++; ump_x2_3 = x2[0]; ump_x2_3 += x2[1] * *left++; ump_x2_3 += x2[2] * *left++; ump_x2_3 += x2[3] * *left++; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ex3[i] = 0; } } break; case TIP_INNER: { for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[4 * i]; x3 = &x3_start[4 * i]; left = &left_start[cptr[i] * 24]; ump_x1_0 = x1[0]; ump_x1_0 += x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_1 = x1[0]; ump_x1_1 += x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_2 = x1[0]; ump_x1_2 += x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_3 = x1[0]; ump_x1_3 += x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x2_0 = x2[0]; ump_x2_0 += x2[1] * *left++; ump_x2_0 += x2[2] * *left++; ump_x2_0 += x2[3] * *left++; ump_x2_1 = x2[0]; ump_x2_1 += x2[1] * *left++; ump_x2_1 += x2[2] * *left++; ump_x2_1 += x2[3] * *left++; ump_x2_2 = x2[0]; ump_x2_2 += x2[1] * *left++; ump_x2_2 += x2[2] * *left++; ump_x2_2 += x2[3] * *left++; ump_x2_3 = x2[0]; ump_x2_3 += x2[1] * *left++; ump_x2_3 += x2[2] * *left++; ump_x2_3 += x2[3] * *left++; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ex3[i] = ex2[i]; if (x3[0] < minlikelihood && x3[0] > minusminlikelihood && x3[1] < minlikelihood && x3[1] > minusminlikelihood && x3[2] < minlikelihood && x3[2] > minusminlikelihood && x3[3] < minlikelihood && x3[3] > minusminlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; ex3[i] += 1; } } } break; case INNER_INNER: for (i = lower; i < n; i++) { x1 = &x1_start[4 * i]; x2 = &x2_start[4 * i]; x3 = &x3_start[4 * i]; left = &left_start[cptr[i] * 24]; ump_x1_0 = x1[0]; ump_x1_0 += x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_1 = x1[0]; ump_x1_1 += x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_2 = x1[0]; ump_x1_2 += x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_3 = x1[0]; ump_x1_3 += x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x2_0 = x2[0]; ump_x2_0 += x2[1] * *left++; ump_x2_0 += x2[2] * *left++; ump_x2_0 += x2[3] * *left++; ump_x2_1 = x2[0]; ump_x2_1 += x2[1] * *left++; ump_x2_1 += x2[2] * *left++; ump_x2_1 += x2[3] * *left++; ump_x2_2 = x2[0]; ump_x2_2 += x2[1] * *left++; ump_x2_2 += x2[2] * *left++; ump_x2_2 += x2[3] * *left++; ump_x2_3 = x2[0]; ump_x2_3 += x2[1] * *left++; ump_x2_3 += x2[2] * *left++; ump_x2_3 += x2[3] * *left++; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ex3[i] = ex1[i] + ex2[i]; if (x3[0] < minlikelihood && x3[0] > minusminlikelihood && x3[1] < minlikelihood && x3[1] > minusminlikelihood && x3[2] < minlikelihood && x3[2] > minusminlikelihood && x3[3] < minlikelihood && x3[3] > minusminlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); } static void newviewGTRCATMULT(traversalInfo *ti, double *extEV, double *extEI, double *EIGN, double *rptr, int *cptr, double *x1_start, double *x2_start, double *x3_start, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int *modelptr, int lower, int n, int numberOfCategories, int numberOfModels, int multiBranch ) { double *left, *left_start, *EI, *EV, *x1, *x2, *x3; double ump_x1_1, ump_x1_2, ump_x1_3, ump_x1_0, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3, x1px2, z1 = 0.0, z2 = 0.0, ki, d1c, d1g, d1t, d2c, d2g, d2t, lz10, lz11, lz12, lz20, lz21, lz22; int i, modelCounter, model; if(!multiBranch) { z1 = ti->qz[0]; z2 = ti->rz[0]; } left_start = left = (double *)malloc(24 * numberOfModels * numberOfCategories * sizeof(double)); for(modelCounter = 0; modelCounter < numberOfModels; modelCounter++) { if(multiBranch) { z1 = ti->qz[modelCounter]; z2 = ti->rz[modelCounter]; } lz10 = EIGN[modelCounter * 3] * z1; lz11 = EIGN[modelCounter * 3 + 1] * z1; lz12 = EIGN[modelCounter * 3 + 2] * z1; lz20 = EIGN[modelCounter * 3] * z2; lz21 = EIGN[modelCounter * 3 + 1] * z2; lz22 = EIGN[modelCounter * 3 + 2] * z2; EI = &(extEI[modelCounter * 12]); for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; d1c = exp (ki * lz10); d1g = exp (ki * lz11); d1t = exp (ki * lz12); *left++ = d1c * EI[0]; *left++ = d1g * EI[1]; *left++ = d1t * EI[2]; *left++ = d1c * EI[3]; *left++ = d1g * EI[4]; *left++ = d1t * EI[5]; *left++ = d1c * EI[6]; *left++ = d1g * EI[7]; *left++ = d1t * EI[8]; *left++ = d1c * EI[9]; *left++ = d1g * EI[10]; *left++ = d1t * EI[11]; d2c = exp (ki * lz20); d2g = exp (ki * lz21); d2t = exp (ki * lz22); *left++ = d2c * EI[0]; *left++ = d2g * EI[1]; *left++ = d2t * EI[2]; *left++ = d2c * EI[3]; *left++ = d2g * EI[4]; *left++ = d2t * EI[5]; *left++ = d2c * EI[6]; *left++ = d2g * EI[7]; *left++ = d2t * EI[8]; *left++ = d2c * EI[9]; *left++ = d2g * EI[10]; *left++ = d2t * EI[11]; } } switch(ti->tipCase) { case TIP_TIP: { for (i = lower; i < n; i++) { model = modelptr[i]; EV = &(extEV[model * 16]); x1 = &(tipVector[model * 64 + 4 * tipX1[i]]); x2 = &(tipVector[model * 64 + 4 * tipX2[i]]); x3 = &x3_start[4 * i]; left = &left_start[model * 24 * numberOfCategories + cptr[i] * 24]; ump_x1_0 = x1[0]; ump_x1_0 += x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_1 = x1[0]; ump_x1_1 += x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_2 = x1[0]; ump_x1_2 += x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_3 = x1[0]; ump_x1_3 += x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x2_0 = x2[0]; ump_x2_0 += x2[1] * *left++; ump_x2_0 += x2[2] * *left++; ump_x2_0 += x2[3] * *left++; ump_x2_1 = x2[0]; ump_x2_1 += x2[1] * *left++; ump_x2_1 += x2[2] * *left++; ump_x2_1 += x2[3] * *left++; ump_x2_2 = x2[0]; ump_x2_2 += x2[1] * *left++; ump_x2_2 += x2[2] * *left++; ump_x2_2 += x2[3] * *left++; ump_x2_3 = x2[0]; ump_x2_3 += x2[1] * *left++; ump_x2_3 += x2[2] * *left++; ump_x2_3 += x2[3] * *left++; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ex3[i] = 0; } } break; case TIP_INNER: { for (i = lower; i < n; i++) { model = modelptr[i]; EV = &(extEV[model * 16]); x1 = &(tipVector[model * 64 + 4 * tipX1[i]]); x2 = &x2_start[4 * i]; x3 = &x3_start[4 * i]; left = &left_start[model * 24 * numberOfCategories + cptr[i] * 24]; ump_x1_0 = x1[0]; ump_x1_0 += x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_1 = x1[0]; ump_x1_1 += x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_2 = x1[0]; ump_x1_2 += x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_3 = x1[0]; ump_x1_3 += x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x2_0 = x2[0]; ump_x2_0 += x2[1] * *left++; ump_x2_0 += x2[2] * *left++; ump_x2_0 += x2[3] * *left++; ump_x2_1 = x2[0]; ump_x2_1 += x2[1] * *left++; ump_x2_1 += x2[2] * *left++; ump_x2_1 += x2[3] * *left++; ump_x2_2 = x2[0]; ump_x2_2 += x2[1] * *left++; ump_x2_2 += x2[2] * *left++; ump_x2_2 += x2[3] * *left++; ump_x2_3 = x2[0]; ump_x2_3 += x2[1] * *left++; ump_x2_3 += x2[2] * *left++; ump_x2_3 += x2[3] * *left++; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ex3[i] = ex2[i]; if (x3[0] < minlikelihood && x3[0] > minusminlikelihood && x3[1] < minlikelihood && x3[1] > minusminlikelihood && x3[2] < minlikelihood && x3[2] > minusminlikelihood && x3[3] < minlikelihood && x3[3] > minusminlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; ex3[i] += 1; } } } break; case INNER_INNER: for (i = lower; i < n; i++) { model = modelptr[i]; EV = &(extEV[model * 16]); left = &left_start[model * 24 * numberOfCategories + cptr[i] * 24]; x1 = &x1_start[4 * i]; x2 = &x2_start[4 * i]; x3 = &x3_start[4 * i]; ump_x1_0 = x1[0]; ump_x1_0 += x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_1 = x1[0]; ump_x1_1 += x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_2 = x1[0]; ump_x1_2 += x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_3 = x1[0]; ump_x1_3 += x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x2_0 = x2[0]; ump_x2_0 += x2[1] * *left++; ump_x2_0 += x2[2] * *left++; ump_x2_0 += x2[3] * *left++; ump_x2_1 = x2[0]; ump_x2_1 += x2[1] * *left++; ump_x2_1 += x2[2] * *left++; ump_x2_1 += x2[3] * *left++; ump_x2_2 = x2[0]; ump_x2_2 += x2[1] * *left++; ump_x2_2 += x2[2] * *left++; ump_x2_2 += x2[3] * *left++; ump_x2_3 = x2[0]; ump_x2_3 += x2[1] * *left++; ump_x2_3 += x2[2] * *left++; ump_x2_3 += x2[3] * *left++; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ex3[i] = ex1[i] + ex2[i]; if (x3[0] < minlikelihood && x3[0] > minusminlikelihood && x3[1] < minlikelihood && x3[1] > minusminlikelihood && x3[2] < minlikelihood && x3[2] > minusminlikelihood && x3[3] < minlikelihood && x3[3] > minusminlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); } static void newviewGTRGAMMA(traversalInfo *ti, double *x1_start, double *x2_start, double *x3_start, double *EIGN, double *EV, double *EI, double *gammaRates, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int lower, int n, double z1, double z2 ) { double *left, *right, *left_start, *right_start, *x1, *x2, *x3; double ump_x1_1, ump_x1_2, ump_x1_3, ump_x1_0, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3, x1px2, ki, d1c, d1g, d1t, d2c, d2g, d2t; int i; left_start = left = (double *)malloc(48 * sizeof(double)); right_start = right = (double *)malloc(48 * sizeof(double)); for(i = 0; i < 4; i++) { ki = gammaRates[i]; d1c = exp (EIGN[0] * ki * z1); d1g = exp (EIGN[1] * ki * z1); d1t = exp (EIGN[2] * ki * z1); *left++ = d1c * EI[0]; *left++ = d1g * EI[1]; *left++ = d1t * EI[2]; *left++ = d1c * EI[3]; *left++ = d1g * EI[4]; *left++ = d1t * EI[5]; *left++ = d1c * EI[6]; *left++ = d1g * EI[7]; *left++ = d1t * EI[8]; *left++ = d1c * EI[9]; *left++ = d1g * EI[10]; *left++ = d1t * EI[11]; d2c = exp (EIGN[0] * ki * z2); d2g = exp (EIGN[1] * ki * z2); d2t = exp (EIGN[2] * ki * z2); *right++ = d2c * EI[0]; *right++ = d2g * EI[1]; *right++ = d2t * EI[2]; *right++ = d2c * EI[3]; *right++ = d2g * EI[4]; *right++ = d2t * EI[5]; *right++ = d2c * EI[6]; *right++ = d2g * EI[7]; *right++ = d2t * EI[8]; *right++ = d2c * EI[9]; *right++ = d2g * EI[10]; *right++ = d2t * EI[11]; } switch(ti->tipCase) { case TIP_TIP: { double *uX1, umpX1[256], *uX2, umpX2[256]; uX1 = &umpX1[16]; uX2 = &umpX2[16]; for(i = 1; i < 16; i++) { x1 = &(tipVector[i * 4]); left = left_start; right = right_start; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x1[1] * *right++; ump_x2_0 += x1[2] * *right++; ump_x2_0 += x1[3] * *right++; ump_x2_0 += x1[0]; *uX2++ = ump_x2_0; ump_x2_1 = x1[1] * *right++; ump_x2_1 += x1[2] * *right++; ump_x2_1 += x1[3] * *right++; ump_x2_1 += x1[0]; *uX2++ = ump_x2_1; ump_x2_2 = x1[1] * *right++; ump_x2_2 += x1[2] * *right++; ump_x2_2 += x1[3] * *right++; ump_x2_2 += x1[0]; *uX2++ = ump_x2_2; ump_x2_3 = x1[1] * *right++; ump_x2_3 += x1[2] * *right++; ump_x2_3 += x1[3] * *right++; ump_x2_3 += x1[0]; *uX2++ = ump_x2_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x1[1] * *right++; ump_x2_0 += x1[2] * *right++; ump_x2_0 += x1[3] * *right++; ump_x2_0 += x1[0]; *uX2++ = ump_x2_0; ump_x2_1 = x1[1] * *right++; ump_x2_1 += x1[2] * *right++; ump_x2_1 += x1[3] * *right++; ump_x2_1 += x1[0]; *uX2++ = ump_x2_1; ump_x2_2 = x1[1] * *right++; ump_x2_2 += x1[2] * *right++; ump_x2_2 += x1[3] * *right++; ump_x2_2 += x1[0]; *uX2++ = ump_x2_2; ump_x2_3 = x1[1] * *right++; ump_x2_3 += x1[2] * *right++; ump_x2_3 += x1[3] * *right++; ump_x2_3 += x1[0]; *uX2++ = ump_x2_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x1[1] * *right++; ump_x2_0 += x1[2] * *right++; ump_x2_0 += x1[3] * *right++; ump_x2_0 += x1[0]; *uX2++ = ump_x2_0; ump_x2_1 = x1[1] * *right++; ump_x2_1 += x1[2] * *right++; ump_x2_1 += x1[3] * *right++; ump_x2_1 += x1[0]; *uX2++ = ump_x2_1; ump_x2_2 = x1[1] * *right++; ump_x2_2 += x1[2] * *right++; ump_x2_2 += x1[3] * *right++; ump_x2_2 += x1[0]; *uX2++ = ump_x2_2; ump_x2_3 = x1[1] * *right++; ump_x2_3 += x1[2] * *right++; ump_x2_3 += x1[3] * *right++; ump_x2_3 += x1[0]; *uX2++ = ump_x2_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x1[1] * *right++; ump_x2_0 += x1[2] * *right++; ump_x2_0 += x1[3] * *right++; ump_x2_0 += x1[0]; *uX2++ = ump_x2_0; ump_x2_1 = x1[1] * *right++; ump_x2_1 += x1[2] * *right++; ump_x2_1 += x1[3] * *right++; ump_x2_1 += x1[0]; *uX2++ = ump_x2_1; ump_x2_2 = x1[1] * *right++; ump_x2_2 += x1[2] * *right++; ump_x2_2 += x1[3] * *right++; ump_x2_2 += x1[0]; *uX2++ = ump_x2_2; ump_x2_3 = x1[1] * *right++; ump_x2_3 += x1[2] * *right++; ump_x2_3 += x1[3] * *right++; ump_x2_3 += x1[0]; *uX2++ = ump_x2_3; } #pragma omp parallel for private(x3, uX1, uX2, x1px2) for (i = lower; i < n; i++) { uX1 = &umpX1[16 * tipX1[i]]; uX2 = &umpX2[16 * tipX2[i]]; x3 = &x3_start[16 * i]; x1px2 = *uX1++ * *uX2++; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; /* rate 1 */ x1px2 = *uX1++ * *uX2++;/*ump_x1_0 * ump_x2_0;*/ x3[4] = x1px2 * EV[0]; x3[5] = x1px2 * EV[1]; x3[6] = x1px2 * EV[2]; x3[7] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++;/*ump_x1_1 * ump_x2_1;*/ x3[4] += x1px2 * EV[4]; x3[5] += x1px2 * EV[5]; x3[6] += x1px2 * EV[6]; x3[7] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++;/*ump_x1_2 * ump_x2_2;*/ x3[4] += x1px2 * EV[8]; x3[5] += x1px2 * EV[9]; x3[6] += x1px2 * EV[10]; x3[7] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++;/*ump_x1_3 * ump_x2_3;*/ x3[4] += x1px2 * EV[12]; x3[5] += x1px2 * EV[13]; x3[6] += x1px2 * EV[14]; x3[7] += x1px2 * EV[15]; /* rate 2 */ x1px2 = *uX1++ * *uX2++;/*ump_x1_0 * ump_x2_0;*/ x3[8] = x1px2 * EV[0]; x3[9] = x1px2 * EV[1]; x3[10] = x1px2 * EV[2]; x3[11] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++;/*ump_x1_1 * ump_x2_1;*/ x3[8] += x1px2 * EV[4]; x3[9] += x1px2 * EV[5]; x3[10] += x1px2 * EV[6]; x3[11] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++;/*ump_x1_2 * ump_x2_2;*/ x3[8] += x1px2 * EV[8]; x3[9] += x1px2 * EV[9]; x3[10] += x1px2 * EV[10]; x3[11] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++;/*ump_x1_3 * ump_x2_3;*/ x3[8] += x1px2 * EV[12]; x3[9] += x1px2 * EV[13]; x3[10] += x1px2 * EV[14]; x3[11] += x1px2 * EV[15]; /* rate 3 */ x1px2 = *uX1++ * *uX2++;/*ump_x1_0 * ump_x2_0;*/ x3[12] = x1px2 * EV[0]; x3[13] = x1px2 * EV[1]; x3[14] = x1px2 * EV[2]; x3[15] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++;/*ump_x1_1 * ump_x2_1;*/ x3[12] += x1px2 * EV[4]; x3[13] += x1px2 * EV[5]; x3[14] += x1px2 * EV[6]; x3[15] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++;/*ump_x1_2 * ump_x2_2;*/ x3[12] += x1px2 * EV[8]; x3[13] += x1px2 * EV[9]; x3[14] += x1px2 * EV[10]; x3[15] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++;/*ump_x1_3 * ump_x2_3;*/ x3[12] += x1px2 * EV[12]; x3[13] += x1px2 * EV[13]; x3[14] += x1px2 * EV[14]; x3[15] += x1px2 * EV[15]; /********************************************************************************/ ex3[i] = 0; } } break; case TIP_INNER: { double *uX1, umpX1[256]; uX1 = &umpX1[16]; for(i = 1; i < 16; i++) { x1 = &(tipVector[i * 4]); left = left_start; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; } #pragma omp parallel for private(x2, x3, uX1, right, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3) for (i = lower; i < n; i++) { right = right_start; uX1 = &umpX1[16 * tipX1[i]]; x2 = &x2_start[16 * i]; x3 = &x3_start[16 * i]; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; x1px2 = *uX1++ * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ump_x2_0 = x2[5] * *right++; ump_x2_0 += x2[6] * *right++; ump_x2_0 += x2[7] * *right++; ump_x2_0 += x2[4]; ump_x2_1 = x2[5] * *right++; ump_x2_1 += x2[6] * *right++; ump_x2_1 += x2[7] * *right++; ump_x2_1 += x2[4]; ump_x2_2 = x2[5] * *right++; ump_x2_2 += x2[6] * *right++; ump_x2_2 += x2[7] * *right++; ump_x2_2 += x2[4]; ump_x2_3 = x2[5] * *right++; ump_x2_3 += x2[6] * *right++; ump_x2_3 += x2[7] * *right++; ump_x2_3 += x2[4]; x1px2 = *uX1++ * ump_x2_0; x3[4] = x1px2 * EV[0]; x3[5] = x1px2 * EV[1]; x3[6] = x1px2 * EV[2]; x3[7] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[4] += x1px2 * EV[4]; x3[5] += x1px2 * EV[5]; x3[6] += x1px2 * EV[6]; x3[7] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[4] += x1px2 * EV[8]; x3[5] += x1px2 * EV[9]; x3[6] += x1px2 * EV[10]; x3[7] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[4] += x1px2 * EV[12]; x3[5] += x1px2 * EV[13]; x3[6] += x1px2 * EV[14]; x3[7] += x1px2 * EV[15]; ump_x2_0 = x2[9] * *right++; ump_x2_0 += x2[10] * *right++; ump_x2_0 += x2[11] * *right++; ump_x2_0 += x2[8]; ump_x2_1 = x2[9] * *right++; ump_x2_1 += x2[10] * *right++; ump_x2_1 += x2[11] * *right++; ump_x2_1 += x2[8]; ump_x2_2 = x2[9] * *right++; ump_x2_2 += x2[10] * *right++; ump_x2_2 += x2[11] * *right++; ump_x2_2 += x2[8]; ump_x2_3 = x2[9] * *right++; ump_x2_3 += x2[10] * *right++; ump_x2_3 += x2[11] * *right++; ump_x2_3 += x2[8]; x1px2 = *uX1++ * ump_x2_0; x3[8] = x1px2 * EV[0]; x3[9] = x1px2 * EV[1]; x3[10] = x1px2 * EV[2]; x3[11] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[8] += x1px2 * EV[4]; x3[9] += x1px2 * EV[5]; x3[10] += x1px2 * EV[6]; x3[11] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[8] += x1px2 * EV[8]; x3[9] += x1px2* EV[9]; x3[10] += x1px2 * EV[10]; x3[11] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[8] += x1px2 * EV[12]; x3[9] += x1px2 * EV[13]; x3[10] += x1px2 * EV[14]; x3[11] += x1px2 * EV[15]; ump_x2_0 = x2[13] * *right++; ump_x2_0 += x2[14] * *right++; ump_x2_0 += x2[15] * *right++; ump_x2_0 += x2[12]; ump_x2_1 = x2[13] * *right++; ump_x2_1 += x2[14] * *right++; ump_x2_1 += x2[15] * *right++; ump_x2_1 += x2[12]; ump_x2_2 = x2[13] * *right++; ump_x2_2 += x2[14] * *right++; ump_x2_2 += x2[15] * *right++; ump_x2_2 += x2[12]; ump_x2_3 = x2[13] * *right++; ump_x2_3 += x2[14] * *right++; ump_x2_3 += x2[15] * *right++; ump_x2_3 += x2[12]; x1px2 = *uX1++ * ump_x2_0; x3[12] = x1px2 * EV[0]; x3[13] = x1px2 * EV[1]; x3[14] = x1px2 * EV[2]; x3[15] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[12] += x1px2 * EV[4]; x3[13] += x1px2 * EV[5]; x3[14] += x1px2 * EV[6]; x3[15] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[12] += x1px2 * EV[8]; x3[13] += x1px2* EV[9]; x3[14] += x1px2 * EV[10]; x3[15] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[12] += x1px2 * EV[12]; x3[13] += x1px2 * EV[13]; x3[14] += x1px2 * EV[14]; x3[15] += x1px2 * EV[15]; ex3[i] = ex2[i]; if (ABS(x3[0]) < minlikelihood && ABS(x3[2]) < minlikelihood && ABS(x3[1]) < minlikelihood && ABS(x3[3]) < minlikelihood && ABS(x3[4]) < minlikelihood && ABS(x3[6]) < minlikelihood && ABS(x3[5]) < minlikelihood && ABS(x3[7]) < minlikelihood && ABS(x3[8]) < minlikelihood && ABS(x3[10]) < minlikelihood && ABS(x3[9]) < minlikelihood && ABS(x3[11]) < minlikelihood && ABS(x3[12]) < minlikelihood && ABS(x3[14]) < minlikelihood && ABS(x3[13]) < minlikelihood && ABS(x3[15]) < minlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; x3[4] *= twotothe256; x3[5] *= twotothe256; x3[6] *= twotothe256; x3[7] *= twotothe256; x3[8] *= twotothe256; x3[9] *= twotothe256; x3[10] *= twotothe256; x3[11] *= twotothe256; x3[12] *= twotothe256; x3[13] *= twotothe256; x3[14] *= twotothe256; x3[15] *= twotothe256; ex3[i] += 1; } } } break; case INNER_INNER: #pragma omp parallel for private(x1, x2, x3, left, right, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3,ump_x1_0, ump_x1_1, ump_x1_2, ump_x1_3) for (i = lower; i < n; i++) { left = left_start; right = right_start; x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; x3 = &x3_start[16 * i]; /* Rate cat 0 */ ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3]* *left++; ump_x1_0 += x1[0]; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3]* *left++; ump_x1_1 += x1[0]; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2 * EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; /* rate 1 */ ump_x1_0 = x1[5] * *left++; ump_x1_0 += x1[6] * *left++; ump_x1_0 += x1[7] * *left++; ump_x1_0 += x1[4]; ump_x1_1 = x1[5] * *left++; ump_x1_1 += x1[6] * *left++; ump_x1_1 += x1[7] * *left++; ump_x1_1 += x1[4]; ump_x1_2 = x1[5] * *left++; ump_x1_2 += x1[6] * *left++; ump_x1_2 += x1[7] * *left++; ump_x1_2 += x1[4]; ump_x1_3 = x1[5] * *left++; ump_x1_3 += x1[6] * *left++; ump_x1_3 += x1[7] * *left++; ump_x1_3 += x1[4]; ump_x2_0 = x2[5] * *right++; ump_x2_0 += x2[6] * *right++; ump_x2_0 += x2[7] * *right++; ump_x2_0 += x2[4]; ump_x2_1 = x2[5] * *right++; ump_x2_1 += x2[6] * *right++; ump_x2_1 += x2[7] * *right++; ump_x2_1 += x2[4]; ump_x2_2 = x2[5] * *right++; ump_x2_2 += x2[6] * *right++; ump_x2_2 += x2[7] * *right++; ump_x2_2 += x2[4]; ump_x2_3 = x2[5] * *right++; ump_x2_3 += x2[6] * *right++; ump_x2_3 += x2[7] * *right++; ump_x2_3 += x2[4]; x1px2 = ump_x1_0 * ump_x2_0; x3[4] = x1px2 * EV[0]; x3[5] = x1px2 * EV[1]; x3[6] = x1px2 * EV[2]; x3[7] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[4] += x1px2 * EV[4]; x3[5] += x1px2 * EV[5]; x3[6] += x1px2 * EV[6]; x3[7] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[4] += x1px2 * EV[8]; x3[5] += x1px2 * EV[9]; x3[6] += x1px2 * EV[10]; x3[7] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[4] += x1px2 * EV[12]; x3[5] += x1px2 * EV[13]; x3[6] += x1px2 * EV[14]; x3[7] += x1px2 * EV[15]; /* rate 2 */ ump_x1_0 = x1[9] * *left++; ump_x1_0 += x1[10] * *left++; ump_x1_0 += x1[11] * *left++; ump_x1_0 += x1[8]; ump_x1_1 = x1[9] * *left++; ump_x1_1 += x1[10] * *left++; ump_x1_1 += x1[11] * *left++; ump_x1_1 += x1[8]; ump_x1_2 = x1[9] * *left++; ump_x1_2 += x1[10] * *left++; ump_x1_2 += x1[11] * *left++; ump_x1_2 += x1[8]; ump_x1_3 = x1[9] * *left++; ump_x1_3 += x1[10] * *left++; ump_x1_3 += x1[11] * *left++; ump_x1_3 += x1[8]; ump_x2_0 = x2[9] * *right++; ump_x2_0 += x2[10] * *right++; ump_x2_0 += x2[11] * *right++; ump_x2_0 += x2[8]; ump_x2_1 = x2[9] * *right++; ump_x2_1 += x2[10] * *right++; ump_x2_1 += x2[11] * *right++; ump_x2_1 += x2[8]; ump_x2_2 = x2[9] * *right++; ump_x2_2 += x2[10] * *right++; ump_x2_2 += x2[11] * *right++; ump_x2_2 += x2[8]; ump_x2_3 = x2[9] * *right++; ump_x2_3 += x2[10] * *right++; ump_x2_3 += x2[11] * *right++; ump_x2_3 += x2[8]; x1px2 = ump_x1_0 * ump_x2_0; x3[8] = x1px2 * EV[0]; x3[9] = x1px2 * EV[1]; x3[10] = x1px2 * EV[2]; x3[11] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[8] += x1px2 * EV[4]; x3[9] += x1px2 * EV[5]; x3[10] += x1px2 * EV[6]; x3[11] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[8] += x1px2 * EV[8]; x3[9] += x1px2 * EV[9]; x3[10] += x1px2 * EV[10]; x3[11] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[8] += x1px2 * EV[12]; x3[9] += x1px2 * EV[13]; x3[10] += x1px2 * EV[14]; x3[11] += x1px2 * EV[15]; /* rate 3 */ ump_x1_0 = x1[13] * *left++; ump_x1_0 += x1[14] * *left++; ump_x1_0 += x1[15] * *left++; ump_x1_0 += x1[12]; ump_x1_1 = x1[13] * *left++; ump_x1_1 += x1[14] * *left++; ump_x1_1 += x1[15] * *left++; ump_x1_1 += x1[12]; ump_x1_2 = x1[13] * *left++; ump_x1_2 += x1[14] * *left++; ump_x1_2 += x1[15] * *left++; ump_x1_2 += x1[12]; ump_x1_3 = x1[13] * *left++; ump_x1_3 += x1[14] * *left++; ump_x1_3 += x1[15] * *left++; ump_x1_3 += x1[12]; ump_x2_0 = x2[13] * *right++; ump_x2_0 += x2[14] * *right++; ump_x2_0 += x2[15] * *right++; ump_x2_0 += x2[12]; ump_x2_1 = x2[13] * *right++; ump_x2_1 += x2[14] * *right++; ump_x2_1 += x2[15] * *right++; ump_x2_1 += x2[12]; ump_x2_2 = x2[13] * *right++; ump_x2_2 += x2[14] * *right++; ump_x2_2 += x2[15] * *right++; ump_x2_2 += x2[12]; ump_x2_3 = x2[13] * *right++; ump_x2_3 += x2[14] * *right++; ump_x2_3 += x2[15] * *right++; ump_x2_3 += x2[12]; x1px2 = ump_x1_0 * ump_x2_0; x3[12] = x1px2 * EV[0]; x3[13] = x1px2 * EV[1]; x3[14] = x1px2 * EV[2]; x3[15] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[12] += x1px2 * EV[4]; x3[13] += x1px2 * EV[5]; x3[14] += x1px2 * EV[6]; x3[15] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[12] += x1px2 * EV[8]; x3[13] += x1px2 * EV[9]; x3[14] += x1px2 * EV[10]; x3[15] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[12] += x1px2 * EV[12]; x3[13] += x1px2 * EV[13]; x3[14] += x1px2 * EV[14]; x3[15] += x1px2 * EV[15]; /********************************************************************************/ ex3[i] = ex1[i] + ex2[i]; if (ABS(x3[0]) < minlikelihood && ABS(x3[2]) < minlikelihood && ABS(x3[1]) < minlikelihood && ABS(x3[3]) < minlikelihood && ABS(x3[4]) < minlikelihood && ABS(x3[6]) < minlikelihood && ABS(x3[5]) < minlikelihood && ABS(x3[7]) < minlikelihood && ABS(x3[8]) < minlikelihood && ABS(x3[10]) < minlikelihood && ABS(x3[9]) < minlikelihood && ABS(x3[11]) < minlikelihood && ABS(x3[12]) < minlikelihood && ABS(x3[14]) < minlikelihood && ABS(x3[13]) < minlikelihood && ABS(x3[15]) < minlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; x3[4] *= twotothe256; x3[5] *= twotothe256; x3[6] *= twotothe256; x3[7] *= twotothe256; x3[8] *= twotothe256; x3[9] *= twotothe256; x3[10] *= twotothe256; x3[11] *= twotothe256; x3[12] *= twotothe256; x3[13] *= twotothe256; x3[14] *= twotothe256; x3[15] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); free(right_start); } static void newviewGTRGAMMAMULT(traversalInfo *ti, double *x1_start, double *x2_start, double *x3_start, double *extEIGN, double *extEV, double *extEI, double *gammaRates, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int *modelptr, int lower, int n, int numberOfModels, int multiBranch ) { double *left, *right, *left_start, *right_start, *x1, *x2, *x3, *EIGN, *EI, *EV; double ump_x1_1, ump_x1_2, ump_x1_3, ump_x1_0, ump_x2_0, ump_x2_1, ump_x2_2, ump_x2_3, x1px2, z1 = 0.0, z2 = 0.0, ki, d1c, d1g, d1t, d2c, d2g, d2t; int model, i; if(!multiBranch) { z1 = ti->qz[0]; z2 = ti->rz[0]; } left_start = left = (double *) malloc(48 * numberOfModels * sizeof(double)); right_start = right = (double *)malloc(48 * numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z1 = ti->qz[model]; z2 = ti->rz[model]; } EIGN = &(extEIGN[3 * model]); left = &left_start[model * 48]; right = &right_start[model * 48]; EI = &(extEI[model * 12]); for(i = 0; i < 4; i++) { ki = gammaRates[model * 4 + i]; d1c = exp (EIGN[0] * ki * z1); d1g = exp (EIGN[1] * ki * z1); d1t = exp (EIGN[2] * ki * z1); *left++ = d1c * EI[0]; *left++ = d1g * EI[1]; *left++ = d1t * EI[2]; *left++ = d1c * EI[3]; *left++ = d1g * EI[4]; *left++ = d1t * EI[5]; *left++ = d1c * EI[6]; *left++ = d1g * EI[7]; *left++ = d1t * EI[8]; *left++ = d1c * EI[9]; *left++ = d1g * EI[10]; *left++ = d1t * EI[11]; d2c = exp (EIGN[0] * ki * z2); d2g = exp (EIGN[1] * ki * z2); d2t = exp (EIGN[2] * ki * z2); *right++ = d2c * EI[0]; *right++ = d2g * EI[1]; *right++ = d2t * EI[2]; *right++ = d2c * EI[3]; *right++ = d2g * EI[4]; *right++ = d2t * EI[5]; *right++ = d2c * EI[6]; *right++ = d2g * EI[7]; *right++ = d2t * EI[8]; *right++ = d2c * EI[9]; *right++ = d2g * EI[10]; *right++ = d2t * EI[11]; } } switch(ti->tipCase) { case TIP_TIP: { double *uX1, *umpX1, *uX2, *umpX2; umpX1 = (double *)malloc(256 * numberOfModels * sizeof(double)); umpX2 = (double *)malloc(256 * numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { uX1 = &umpX1[256 * model + 16]; uX2 = &umpX2[256 * model + 16]; for(i = 1; i < 16; i++) { x1 = &(tipVector[model * 64 + i * 4]); x2 = &(tipVector[model * 64 + i * 4]); left = &left_start[model * 48]; right = &right_start[model * 48]; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; *uX2++ = ump_x2_0; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; *uX2++ = ump_x2_1; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; *uX2++ = ump_x2_2; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; *uX2++ = ump_x2_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; *uX2++ = ump_x2_0; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; *uX2++ = ump_x2_1; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; *uX2++ = ump_x2_2; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; *uX2++ = ump_x2_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; *uX2++ = ump_x2_0; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; *uX2++ = ump_x2_1; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; *uX2++ = ump_x2_2; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; *uX2++ = ump_x2_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; *uX2++ = ump_x2_0; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; *uX2++ = ump_x2_1; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; *uX2++ = ump_x2_2; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; *uX2++ = ump_x2_3; } } for (i = lower; i < n; i++) { model = modelptr[i]; uX1 = &umpX1[256 * model + 16 * tipX1[i]]; uX2 = &umpX2[256 * model + 16 * tipX2[i]]; x3 = &x3_start[16 * i]; EV = &(extEV[model * 16]); x1px2 = *uX1++ * *uX2++; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++; x3[0] += x1px2 * EV[8]; x3[1] += x1px2* EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; /* rate 1 */ x1px2 = *uX1++ * *uX2++;/*ump_x1_0 * ump_x2_0;*/ x3[4] = x1px2 * EV[0]; x3[5] = x1px2 * EV[1]; x3[6] = x1px2 * EV[2]; x3[7] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++;/*ump_x1_1 * ump_x2_1;*/ x3[4] += x1px2 * EV[4]; x3[5] += x1px2 * EV[5]; x3[6] += x1px2 * EV[6]; x3[7] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++;/*ump_x1_2 * ump_x2_2;*/ x3[4] += x1px2 * EV[8]; x3[5] += x1px2 * EV[9]; x3[6] += x1px2 * EV[10]; x3[7] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++;/*ump_x1_3 * ump_x2_3;*/ x3[4] += x1px2 * EV[12]; x3[5] += x1px2 * EV[13]; x3[6] += x1px2 * EV[14]; x3[7] += x1px2 * EV[15]; /* rate 2 */ x1px2 = *uX1++ * *uX2++;/*ump_x1_0 * ump_x2_0;*/ x3[8] = x1px2 * EV[0]; x3[9] = x1px2 * EV[1]; x3[10] = x1px2 * EV[2]; x3[11] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++;/*ump_x1_1 * ump_x2_1;*/ x3[8] += x1px2 * EV[4]; x3[9] += x1px2 * EV[5]; x3[10] += x1px2 * EV[6]; x3[11] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++;/*ump_x1_2 * ump_x2_2;*/ x3[8] += x1px2 * EV[8]; x3[9] += x1px2* EV[9]; x3[10] += x1px2 * EV[10]; x3[11] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++;/*ump_x1_3 * ump_x2_3;*/ x3[8] += x1px2 * EV[12]; x3[9] += x1px2 * EV[13]; x3[10] += x1px2 * EV[14]; x3[11] += x1px2 * EV[15]; /* rate 3 */ x1px2 = *uX1++ * *uX2++;/*ump_x1_0 * ump_x2_0;*/ x3[12] = x1px2 * EV[0]; x3[13] = x1px2 * EV[1]; x3[14] = x1px2 * EV[2]; x3[15] = x1px2 * EV[3]; x1px2 = *uX1++ * *uX2++;/*ump_x1_1 * ump_x2_1;*/ x3[12] += x1px2 * EV[4]; x3[13] += x1px2 * EV[5]; x3[14] += x1px2 * EV[6]; x3[15] += x1px2 * EV[7]; x1px2 = *uX1++ * *uX2++;/*ump_x1_2 * ump_x2_2;*/ x3[12] += x1px2 * EV[8]; x3[13] += x1px2* EV[9]; x3[14] += x1px2 * EV[10]; x3[15] += x1px2 * EV[11]; x1px2 = *uX1++ * *uX2++;/*ump_x1_3 * ump_x2_3;*/ x3[12] += x1px2 * EV[12]; x3[13] += x1px2 * EV[13]; x3[14] += x1px2 * EV[14]; x3[15] += x1px2 * EV[15]; /********************************************************************************/ ex3[i] = 0; } free(umpX1); free(umpX2); } break; case TIP_INNER: { double *uX1, *umpX1; umpX1 = (double *)malloc(256 * numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { uX1 = &umpX1[256 * model + 16]; for(i = 1; i < 16; i++) { x1 = &(tipVector[model * 64 + i * 4]); left = &left_start[model * 48]; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; *uX1++ = ump_x1_0; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; *uX1++ = ump_x1_1; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; *uX1++ = ump_x1_2; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; *uX1++ = ump_x1_3; } } for (i = lower; i < n; i++) { model = modelptr[i]; right = &right_start[model * 48]; uX1 = &umpX1[model * 256 + 16 * tipX1[i]]; x2 = &x2_start[16 * i]; x3 = &x3_start[16 * i]; EV = &(extEV[model * 16]); ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; x1px2 = *uX1++ * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2* EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; ump_x2_0 = x2[5] * *right++; ump_x2_0 += x2[6] * *right++; ump_x2_0 += x2[7] * *right++; ump_x2_0 += x2[4]; ump_x2_1 = x2[5] * *right++; ump_x2_1 += x2[6] * *right++; ump_x2_1 += x2[7] * *right++; ump_x2_1 += x2[4]; ump_x2_2 = x2[5] * *right++; ump_x2_2 += x2[6] * *right++; ump_x2_2 += x2[7] * *right++; ump_x2_2 += x2[4]; ump_x2_3 = x2[5] * *right++; ump_x2_3 += x2[6] * *right++; ump_x2_3 += x2[7] * *right++; ump_x2_3 += x2[4]; x1px2 = *uX1++ * ump_x2_0; x3[4] = x1px2 * EV[0]; x3[5] = x1px2 * EV[1]; x3[6] = x1px2 * EV[2]; x3[7] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[4] += x1px2 * EV[4]; x3[5] += x1px2 * EV[5]; x3[6] += x1px2 * EV[6]; x3[7] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[4] += x1px2 * EV[8]; x3[5] += x1px2* EV[9]; x3[6] += x1px2 * EV[10]; x3[7] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[4] += x1px2 * EV[12]; x3[5] += x1px2 * EV[13]; x3[6] += x1px2 * EV[14]; x3[7] += x1px2 * EV[15]; ump_x2_0 = x2[9] * *right++; ump_x2_0 += x2[10] * *right++; ump_x2_0 += x2[11] * *right++; ump_x2_0 += x2[8]; ump_x2_1 = x2[9] * *right++; ump_x2_1 += x2[10] * *right++; ump_x2_1 += x2[11] * *right++; ump_x2_1 += x2[8]; ump_x2_2 = x2[9] * *right++; ump_x2_2 += x2[10] * *right++; ump_x2_2 += x2[11] * *right++; ump_x2_2 += x2[8]; ump_x2_3 = x2[9] * *right++; ump_x2_3 += x2[10] * *right++; ump_x2_3 += x2[11] * *right++; ump_x2_3 += x2[8]; x1px2 = *uX1++ * ump_x2_0; x3[8] = x1px2 * EV[0]; x3[9] = x1px2 * EV[1]; x3[10] = x1px2 * EV[2]; x3[11] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[8] += x1px2 * EV[4]; x3[9] += x1px2 * EV[5]; x3[10] += x1px2 * EV[6]; x3[11] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[8] += x1px2 * EV[8]; x3[9] += x1px2* EV[9]; x3[10] += x1px2 * EV[10]; x3[11] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[8] += x1px2 * EV[12]; x3[9] += x1px2 * EV[13]; x3[10] += x1px2 * EV[14]; x3[11] += x1px2 * EV[15]; ump_x2_0 = x2[13] * *right++; ump_x2_0 += x2[14] * *right++; ump_x2_0 += x2[15] * *right++; ump_x2_0 += x2[12]; ump_x2_1 = x2[13] * *right++; ump_x2_1 += x2[14] * *right++; ump_x2_1 += x2[15] * *right++; ump_x2_1 += x2[12]; ump_x2_2 = x2[13] * *right++; ump_x2_2 += x2[14] * *right++; ump_x2_2 += x2[15] * *right++; ump_x2_2 += x2[12]; ump_x2_3 = x2[13] * *right++; ump_x2_3 += x2[14] * *right++; ump_x2_3 += x2[15] * *right++; ump_x2_3 += x2[12]; x1px2 = *uX1++ * ump_x2_0; x3[12] = x1px2 * EV[0]; x3[13] = x1px2 * EV[1]; x3[14] = x1px2 * EV[2]; x3[15] = x1px2 * EV[3]; x1px2 = *uX1++ * ump_x2_1; x3[12] += x1px2 * EV[4]; x3[13] += x1px2 * EV[5]; x3[14] += x1px2 * EV[6]; x3[15] += x1px2 * EV[7]; x1px2 = *uX1++ * ump_x2_2; x3[12] += x1px2 * EV[8]; x3[13] += x1px2* EV[9]; x3[14] += x1px2 * EV[10]; x3[15] += x1px2 * EV[11]; x1px2 = *uX1++ * ump_x2_3; x3[12] += x1px2 * EV[12]; x3[13] += x1px2 * EV[13]; x3[14] += x1px2 * EV[14]; x3[15] += x1px2 * EV[15]; ex3[i] = ex2[i]; if (ABS(x3[0]) < minlikelihood && ABS(x3[2]) < minlikelihood && ABS(x3[1]) < minlikelihood && ABS(x3[3]) < minlikelihood && ABS(x3[4]) < minlikelihood && ABS(x3[6]) < minlikelihood && ABS(x3[5]) < minlikelihood && ABS(x3[7]) < minlikelihood && ABS(x3[8]) < minlikelihood && ABS(x3[10]) < minlikelihood && ABS(x3[9]) < minlikelihood && ABS(x3[11]) < minlikelihood && ABS(x3[12]) < minlikelihood && ABS(x3[14]) < minlikelihood && ABS(x3[13]) < minlikelihood && ABS(x3[15]) < minlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; x3[4] *= twotothe256; x3[5] *= twotothe256; x3[6] *= twotothe256; x3[7] *= twotothe256; x3[8] *= twotothe256; x3[9] *= twotothe256; x3[10] *= twotothe256; x3[11] *= twotothe256; x3[12] *= twotothe256; x3[13] *= twotothe256; x3[14] *= twotothe256; x3[15] *= twotothe256; ex3[i] += 1; } } free(umpX1); } break; case INNER_INNER: for (i = lower; i < n; i++) { model = modelptr[i]; left = &left_start[model * 48]; right = &right_start[model * 48]; x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; x3 = &x3_start[16 * i]; EV = &(extEV[model * 16]); ump_x1_0 = x1[1] * *left++; ump_x1_0 += x1[2] * *left++; ump_x1_0 += x1[3] * *left++; ump_x1_0 += x1[0]; ump_x1_1 = x1[1] * *left++; ump_x1_1 += x1[2] * *left++; ump_x1_1 += x1[3] * *left++; ump_x1_1 += x1[0]; ump_x1_2 = x1[1] * *left++; ump_x1_2 += x1[2] * *left++; ump_x1_2 += x1[3] * *left++; ump_x1_2 += x1[0]; ump_x1_3 = x1[1] * *left++; ump_x1_3 += x1[2] * *left++; ump_x1_3 += x1[3] * *left++; ump_x1_3 += x1[0]; ump_x2_0 = x2[1] * *right++; ump_x2_0 += x2[2] * *right++; ump_x2_0 += x2[3] * *right++; ump_x2_0 += x2[0]; ump_x2_1 = x2[1] * *right++; ump_x2_1 += x2[2] * *right++; ump_x2_1 += x2[3] * *right++; ump_x2_1 += x2[0]; ump_x2_2 = x2[1] * *right++; ump_x2_2 += x2[2] * *right++; ump_x2_2 += x2[3] * *right++; ump_x2_2 += x2[0]; ump_x2_3 = x2[1] * *right++; ump_x2_3 += x2[2] * *right++; ump_x2_3 += x2[3] * *right++; ump_x2_3 += x2[0]; x1px2 = ump_x1_0 * ump_x2_0; x3[0] = x1px2 * EV[0]; x3[1] = x1px2 * EV[1]; x3[2] = x1px2 * EV[2]; x3[3] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[0] += x1px2 * EV[4]; x3[1] += x1px2 * EV[5]; x3[2] += x1px2 * EV[6]; x3[3] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[0] += x1px2 * EV[8]; x3[1] += x1px2* EV[9]; x3[2] += x1px2 * EV[10]; x3[3] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[0] += x1px2 * EV[12]; x3[1] += x1px2 * EV[13]; x3[2] += x1px2 * EV[14]; x3[3] += x1px2 * EV[15]; /* rate 1 */ ump_x1_0 = x1[5] * *left++; ump_x1_0 += x1[6] * *left++; ump_x1_0 += x1[7]* *left++; ump_x1_0 += x1[4]; ump_x1_1 = x1[5] * *left++; ump_x1_1 += x1[6] * *left++; ump_x1_1 += x1[7]* *left++; ump_x1_1 += x1[4]; ump_x1_2 = x1[5] * *left++; ump_x1_2 += x1[6] * *left++; ump_x1_2 += x1[7] * *left++; ump_x1_2 += x1[4]; ump_x1_3 = x1[5] * *left++; ump_x1_3 += x1[6] * *left++; ump_x1_3 += x1[7] * *left++; ump_x1_3 += x1[4]; ump_x2_0 = x2[5] * *right++; ump_x2_0 += x2[6] * *right++; ump_x2_0 += x2[7] * *right++; ump_x2_0 += x2[4]; ump_x2_1 = x2[5] * *right++; ump_x2_1 += x2[6] * *right++; ump_x2_1 += x2[7] * *right++; ump_x2_1 += x2[4]; ump_x2_2 = x2[5] * *right++; ump_x2_2 += x2[6] * *right++; ump_x2_2 += x2[7] * *right++; ump_x2_2 += x2[4]; ump_x2_3 = x2[5] * *right++; ump_x2_3 += x2[6] * *right++; ump_x2_3 += x2[7] * *right++; ump_x2_3 += x2[4]; x1px2 = ump_x1_0 * ump_x2_0; x3[4] = x1px2 * EV[0]; x3[5] = x1px2 * EV[1]; x3[6] = x1px2 * EV[2]; x3[7] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[4] += x1px2 * EV[4]; x3[5] += x1px2 * EV[5]; x3[6] += x1px2 * EV[6]; x3[7] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[4] += x1px2 * EV[8]; x3[5] += x1px2* EV[9]; x3[6] += x1px2 * EV[10]; x3[7] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[4] += x1px2 * EV[12]; x3[5] += x1px2 * EV[13]; x3[6] += x1px2 * EV[14]; x3[7] += x1px2 * EV[15]; /* rate 2 */ ump_x1_0 = x1[9] * *left++; ump_x1_0 += x1[10] * *left++; ump_x1_0 += x1[11] * *left++; ump_x1_0 += x1[8]; ump_x1_1 = x1[9] * *left++; ump_x1_1 += x1[10] * *left++; ump_x1_1 += x1[11]* *left++; ump_x1_1 += x1[8]; ump_x1_2 = x1[9] * *left++; ump_x1_2 += x1[10] * *left++; ump_x1_2 += x1[11] * *left++; ump_x1_2 += x1[8]; ump_x1_3 = x1[9] * *left++; ump_x1_3 += x1[10] * *left++; ump_x1_3 += x1[11] * *left++; ump_x1_3 += x1[8]; ump_x2_0 = x2[9] * *right++; ump_x2_0 += x2[10] * *right++; ump_x2_0 += x2[11] * *right++; ump_x2_0 += x2[8]; ump_x2_1 = x2[9] * *right++; ump_x2_1 += x2[10] * *right++; ump_x2_1 += x2[11] * *right++; ump_x2_1 += x2[8]; ump_x2_2 = x2[9] * *right++; ump_x2_2 += x2[10] * *right++; ump_x2_2 += x2[11] * *right++; ump_x2_2 += x2[8]; ump_x2_3 = x2[9] * *right++; ump_x2_3 += x2[10] * *right++; ump_x2_3 += x2[11] * *right++; ump_x2_3 += x2[8]; x1px2 = ump_x1_0 * ump_x2_0; x3[8] = x1px2 * EV[0]; x3[9] = x1px2 * EV[1]; x3[10] = x1px2 * EV[2]; x3[11] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[8] += x1px2 * EV[4]; x3[9] += x1px2 * EV[5]; x3[10] += x1px2 * EV[6]; x3[11] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[8] += x1px2 * EV[8]; x3[9] += x1px2* EV[9]; x3[10] += x1px2 * EV[10]; x3[11] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[8] += x1px2 * EV[12]; x3[9] += x1px2 * EV[13]; x3[10] += x1px2 * EV[14]; x3[11] += x1px2 * EV[15]; /* rate 3 */ ump_x1_0 = x1[13] * *left++; ump_x1_0 += x1[14] * *left++; ump_x1_0 += x1[15]* *left++; ump_x1_0 += x1[12]; ump_x1_1 = x1[13] * *left++; ump_x1_1 += x1[14] * *left++; ump_x1_1 += x1[15]* *left++; ump_x1_1 += x1[12]; ump_x1_2 = x1[13] * *left++; ump_x1_2 += x1[14] * *left++; ump_x1_2 += x1[15] * *left++; ump_x1_2 += x1[12]; ump_x1_3 = x1[13] * *left++; ump_x1_3 += x1[14] * *left++; ump_x1_3 += x1[15] * *left++; ump_x1_3 += x1[12]; ump_x2_0 = x2[13] * *right++; ump_x2_0 += x2[14] * *right++; ump_x2_0 += x2[15] * *right++; ump_x2_0 += x2[12]; ump_x2_1 = x2[13] * *right++; ump_x2_1 += x2[14] * *right++; ump_x2_1 += x2[15] * *right++; ump_x2_1 += x2[12]; ump_x2_2 = x2[13] * *right++; ump_x2_2 += x2[14] * *right++; ump_x2_2 += x2[15] * *right++; ump_x2_2 += x2[12]; ump_x2_3 = x2[13] * *right++; ump_x2_3 += x2[14] * *right++; ump_x2_3 += x2[15] * *right++; ump_x2_3 += x2[12]; x1px2 = ump_x1_0 * ump_x2_0; x3[12] = x1px2 * EV[0]; x3[13] = x1px2 * EV[1]; x3[14] = x1px2 * EV[2]; x3[15] = x1px2 * EV[3]; x1px2 = ump_x1_1 * ump_x2_1; x3[12] += x1px2 * EV[4]; x3[13] += x1px2 * EV[5]; x3[14] += x1px2 * EV[6]; x3[15] += x1px2 * EV[7]; x1px2 = ump_x1_2 * ump_x2_2; x3[12] += x1px2 * EV[8]; x3[13] += x1px2* EV[9]; x3[14] += x1px2 * EV[10]; x3[15] += x1px2 * EV[11]; x1px2 = ump_x1_3 * ump_x2_3; x3[12] += x1px2 * EV[12]; x3[13] += x1px2 * EV[13]; x3[14] += x1px2 * EV[14]; x3[15] += x1px2 * EV[15]; /********************************************************************************/ ex3[i] = ex1[i] + ex2[i]; if (ABS(x3[0]) < minlikelihood && ABS(x3[2]) < minlikelihood && ABS(x3[1]) < minlikelihood && ABS(x3[3]) < minlikelihood && ABS(x3[4]) < minlikelihood && ABS(x3[6]) < minlikelihood && ABS(x3[5]) < minlikelihood && ABS(x3[7]) < minlikelihood && ABS(x3[8]) < minlikelihood && ABS(x3[10]) < minlikelihood && ABS(x3[9]) < minlikelihood && ABS(x3[11]) < minlikelihood && ABS(x3[12]) < minlikelihood && ABS(x3[14]) < minlikelihood && ABS(x3[13]) < minlikelihood && ABS(x3[15]) < minlikelihood) { x3[0] *= twotothe256; x3[1] *= twotothe256; x3[2] *= twotothe256; x3[3] *= twotothe256; x3[4] *= twotothe256; x3[5] *= twotothe256; x3[6] *= twotothe256; x3[7] *= twotothe256; x3[8] *= twotothe256; x3[9] *= twotothe256; x3[10] *= twotothe256; x3[11] *= twotothe256; x3[12] *= twotothe256; x3[13] *= twotothe256; x3[14] *= twotothe256; x3[15] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); free(right_start); } static void newviewGTRCATPROT(traversalInfo *ti, double *extEV, double *extEI, double *EIGN, double *rptr, int *cptr, double *x1, double *x2, double *x3, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int lower, int n, int numberOfCategories, double z1, double z2) { double *left, *left_start, *right, *right_start, *EV, *EI, *v; double ump_x1[20], ump_x2[20], d1[19], d2[19], lz1[19], lz2[19]; double x1px2, ki; int i, l, scale; left_start = left = (double *)malloc(380 * numberOfCategories * sizeof(double)); right_start = right = (double *)malloc(380 * numberOfCategories * sizeof(double)); for(i = 0; i < 19; i++) lz1[i] = EIGN[i] * z1; for(i = 0; i < 19; i++) lz2[i] = EIGN[i] * z2; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; d1[0] = exp (ki * lz1[0]); d1[1] = exp (ki * lz1[1]); d1[2] = exp (ki * lz1[2]); d1[3] = exp (ki * lz1[3]); d1[4] = exp (ki * lz1[4]); d1[5] = exp (ki * lz1[5]); d1[6] = exp (ki * lz1[6]); d1[7] = exp (ki * lz1[7]); d1[8] = exp (ki * lz1[8]); d1[9] = exp (ki * lz1[9]); d1[10] = exp (ki * lz1[10]); d1[11] = exp (ki * lz1[11]); d1[12] = exp (ki * lz1[12]); d1[13] = exp (ki * lz1[13]); d1[14] = exp (ki * lz1[14]); d1[15] = exp (ki * lz1[15]); d1[16] = exp (ki * lz1[16]); d1[17] = exp (ki * lz1[17]); d1[18] = exp (ki * lz1[18]); d2[0] = exp (ki * lz2[0]); d2[1] = exp (ki * lz2[1]); d2[2] = exp (ki * lz2[2]); d2[3] = exp (ki * lz2[3]); d2[4] = exp (ki * lz2[4]); d2[5] = exp (ki * lz2[5]); d2[6] = exp (ki * lz2[6]); d2[7] = exp (ki * lz2[7]); d2[8] = exp (ki * lz2[8]); d2[9] = exp (ki * lz2[9]); d2[10] = exp (ki * lz2[10]); d2[11] = exp (ki * lz2[11]); d2[12] = exp (ki * lz2[12]); d2[13] = exp (ki * lz2[13]); d2[14] = exp (ki * lz2[14]); d2[15] = exp (ki * lz2[15]); d2[16] = exp (ki * lz2[16]); d2[17] = exp (ki * lz2[17]); d2[18] = exp (ki * lz2[18]); EI = extEI; for(l = 0; l < 20; l++) { *left++ = d1[0] * *EI++; *left++ = d1[1] * *EI++; *left++ = d1[2] * *EI++; *left++ = d1[3] * *EI++; *left++ = d1[4] * *EI++; *left++ = d1[5] * *EI++; *left++ = d1[6] * *EI++; *left++ = d1[7] * *EI++; *left++ = d1[8] * *EI++; *left++ = d1[9] * *EI++; *left++ = d1[10] * *EI++; *left++ = d1[11] * *EI++; *left++ = d1[12] * *EI++; *left++ = d1[13] * *EI++; *left++ = d1[14] * *EI++; *left++ = d1[15] * *EI++; *left++ = d1[16] * *EI++; *left++ = d1[17] * *EI++; *left++ = d1[18] * *EI++; } EI = extEI; for(l = 0; l < 20; l++) { *right++ = d2[0] * *EI++; *right++ = d2[1] * *EI++; *right++ = d2[2] * *EI++; *right++ = d2[3] * *EI++; *right++ = d2[4] * *EI++; *right++ = d2[5] * *EI++; *right++ = d2[6] * *EI++; *right++ = d2[7] * *EI++; *right++ = d2[8] * *EI++; *right++ = d2[9] * *EI++; *right++ = d2[10] * *EI++; *right++ = d2[11] * *EI++; *right++ = d2[12] * *EI++; *right++ = d2[13] * *EI++; *right++ = d2[14] * *EI++; *right++ = d2[15] * *EI++; *right++ = d2[16] * *EI++; *right++ = d2[17] * *EI++; *right++ = d2[18] * *EI++; } } switch(ti->tipCase) { case TIP_TIP: { for (i = lower; i < n; i++) { left = &left_start[cptr[i] * 380]; v = &(tipVector[20 * tipX1[i]]); for(l = 0; l < 20; l++) { ump_x1[l] = v[0]; ump_x1[l] += v[1] * *left++; ump_x1[l] += v[2] * *left++; ump_x1[l] += v[3] * *left++; ump_x1[l] += v[4] * *left++; ump_x1[l] += v[5] * *left++; ump_x1[l] += v[6] * *left++; ump_x1[l] += v[7] * *left++; ump_x1[l] += v[8] * *left++; ump_x1[l] += v[9] * *left++; ump_x1[l] += v[10] * *left++; ump_x1[l] += v[11] * *left++; ump_x1[l] += v[12] * *left++; ump_x1[l] += v[13] * *left++; ump_x1[l] += v[14] * *left++; ump_x1[l] += v[15] * *left++; ump_x1[l] += v[16] * *left++; ump_x1[l] += v[17] * *left++; ump_x1[l] += v[18] * *left++; ump_x1[l] += v[19] * *left++; } v = &(tipVector[20 * tipX2[i]]); left = &right_start[cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *left++; ump_x2[l] += v[2] * *left++; ump_x2[l] += v[3] * *left++; ump_x2[l] += v[4] * *left++; ump_x2[l] += v[5] * *left++; ump_x2[l] += v[6] * *left++; ump_x2[l] += v[7] * *left++; ump_x2[l] += v[8] * *left++; ump_x2[l] += v[9] * *left++; ump_x2[l] += v[10] * *left++; ump_x2[l] += v[11] * *left++; ump_x2[l] += v[12] * *left++; ump_x2[l] += v[13] * *left++; ump_x2[l] += v[14] * *left++; ump_x2[l] += v[15] * *left++; ump_x2[l] += v[16] * *left++; ump_x2[l] += v[17] * *left++; ump_x2[l] += v[18] * *left++; ump_x2[l] += v[19] * *left++; } v = &x3[20 * i]; EV = extEV; x1px2 = ump_x1[0] * ump_x2[0]; v[0] = x1px2 * *EV++; v[1] = x1px2 * *EV++; v[2] = x1px2 * *EV++; v[3] = x1px2 * *EV++; v[4] = x1px2 * *EV++; v[5] = x1px2 * *EV++; v[6] = x1px2 * *EV++; v[7] = x1px2 * *EV++; v[8] = x1px2 * *EV++; v[9] = x1px2 * *EV++; v[10] = x1px2 * *EV++; v[11] = x1px2 * *EV++; v[12] = x1px2 * *EV++; v[13] = x1px2 * *EV++; v[14] = x1px2 * *EV++; v[15] = x1px2 * *EV++; v[16] = x1px2 * *EV++; v[17] = x1px2 * *EV++; v[18] = x1px2 * *EV++; v[19] = x1px2 * *EV++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } /* NO SCALING AT TIPS */ ex3[i] = 0; } } break; case TIP_INNER: { for (i = lower; i < n; i++) { v = &(tipVector[20 * tipX1[i]]); left = &left_start[cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x1[l] = v[0]; ump_x1[l] += v[1] * *left++; ump_x1[l] += v[2] * *left++; ump_x1[l] += v[3] * *left++; ump_x1[l] += v[4] * *left++; ump_x1[l] += v[5] * *left++; ump_x1[l] += v[6] * *left++; ump_x1[l] += v[7] * *left++; ump_x1[l] += v[8] * *left++; ump_x1[l] += v[9] * *left++; ump_x1[l] += v[10] * *left++; ump_x1[l] += v[11] * *left++; ump_x1[l] += v[12] * *left++; ump_x1[l] += v[13] * *left++; ump_x1[l] += v[14] * *left++; ump_x1[l] += v[15] * *left++; ump_x1[l] += v[16] * *left++; ump_x1[l] += v[17] * *left++; ump_x1[l] += v[18] * *left++; ump_x1[l] += v[19] * *left++; } v = &x2[20 * i]; left = &right_start[cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *left++; ump_x2[l] += v[2] * *left++; ump_x2[l] += v[3] * *left++; ump_x2[l] += v[4] * *left++; ump_x2[l] += v[5] * *left++; ump_x2[l] += v[6] * *left++; ump_x2[l] += v[7] * *left++; ump_x2[l] += v[8] * *left++; ump_x2[l] += v[9] * *left++; ump_x2[l] += v[10] * *left++; ump_x2[l] += v[11] * *left++; ump_x2[l] += v[12] * *left++; ump_x2[l] += v[13] * *left++; ump_x2[l] += v[14] * *left++; ump_x2[l] += v[15] * *left++; ump_x2[l] += v[16] * *left++; ump_x2[l] += v[17] * *left++; ump_x2[l] += v[18] * *left++; ump_x2[l] += v[19] * *left++; } v = &x3[20 * i]; EV = extEV; x1px2 = ump_x1[0] * ump_x2[0]; v[0] = x1px2 * *EV++; v[1] = x1px2 * *EV++; v[2] = x1px2 * *EV++; v[3] = x1px2 * *EV++; v[4] = x1px2 * *EV++; v[5] = x1px2 * *EV++; v[6] = x1px2 * *EV++; v[7] = x1px2 * *EV++; v[8] = x1px2 * *EV++; v[9] = x1px2 * *EV++; v[10] = x1px2 * *EV++; v[11] = x1px2 * *EV++; v[12] = x1px2 * *EV++; v[13] = x1px2 * *EV++; v[14] = x1px2 * *EV++; v[15] = x1px2 * *EV++; v[16] = x1px2 * *EV++; v[17] = x1px2 * *EV++; v[18] = x1px2 * *EV++; v[19] = x1px2 * *EV++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } scale = 1; for(l = 0; scale && (l < 20); l++) scale = ((v[l] < minlikelihood) && (v[l] > minusminlikelihood)); ex3[i] = ex2[i]; if(scale) { for(l = 0; l < 20; l++) v[l] *= twotothe256; ex3[i] += 1; } } } break; case INNER_INNER: for (i = lower; i < n; i++) { v = &x1[20 * i]; left = &left_start[cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x1[l] = v[0]; ump_x1[l] += v[1] * *left++; ump_x1[l] += v[2] * *left++; ump_x1[l] += v[3] * *left++; ump_x1[l] += v[4] * *left++; ump_x1[l] += v[5] * *left++; ump_x1[l] += v[6] * *left++; ump_x1[l] += v[7] * *left++; ump_x1[l] += v[8] * *left++; ump_x1[l] += v[9] * *left++; ump_x1[l] += v[10] * *left++; ump_x1[l] += v[11] * *left++; ump_x1[l] += v[12] * *left++; ump_x1[l] += v[13] * *left++; ump_x1[l] += v[14] * *left++; ump_x1[l] += v[15] * *left++; ump_x1[l] += v[16] * *left++; ump_x1[l] += v[17] * *left++; ump_x1[l] += v[18] * *left++; ump_x1[l] += v[19] * *left++; } v = &x2[20 * i]; left = &right_start[cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *left++; ump_x2[l] += v[2] * *left++; ump_x2[l] += v[3] * *left++; ump_x2[l] += v[4] * *left++; ump_x2[l] += v[5] * *left++; ump_x2[l] += v[6] * *left++; ump_x2[l] += v[7] * *left++; ump_x2[l] += v[8] * *left++; ump_x2[l] += v[9] * *left++; ump_x2[l] += v[10] * *left++; ump_x2[l] += v[11] * *left++; ump_x2[l] += v[12] * *left++; ump_x2[l] += v[13] * *left++; ump_x2[l] += v[14] * *left++; ump_x2[l] += v[15] * *left++; ump_x2[l] += v[16] * *left++; ump_x2[l] += v[17] * *left++; ump_x2[l] += v[18] * *left++; ump_x2[l] += v[19] * *left++; } v = &x3[20 * i]; EV = extEV; x1px2 = ump_x1[0] * ump_x2[0]; v[0] = x1px2 * *EV++; v[1] = x1px2 * *EV++; v[2] = x1px2 * *EV++; v[3] = x1px2 * *EV++; v[4] = x1px2 * *EV++; v[5] = x1px2 * *EV++; v[6] = x1px2 * *EV++; v[7] = x1px2 * *EV++; v[8] = x1px2 * *EV++; v[9] = x1px2 * *EV++; v[10] = x1px2 * *EV++; v[11] = x1px2 * *EV++; v[12] = x1px2 * *EV++; v[13] = x1px2 * *EV++; v[14] = x1px2 * *EV++; v[15] = x1px2 * *EV++; v[16] = x1px2 * *EV++; v[17] = x1px2 * *EV++; v[18] = x1px2 * *EV++; v[19] = x1px2 * *EV++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } scale = 1; for(l = 0; scale && (l < 20); l++) scale = ((v[l] < minlikelihood) && (v[l] > minusminlikelihood)); ex3[i] = ex1[i] + ex2[i]; if(scale) { for(l = 0; l < 20; l++) v[l] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); free(right_start); } static void newviewGTRCATPROTMULT(traversalInfo *ti, double *extEV, double *extEI, double *EIGN, double *rptr, int *cptr, double *x1, double *x2, double *x3, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int *modelptr, int lower, int n, int numberOfCategories, int numberOfModels, int multiBranch) { double *left, *left_start, *right, *right_start, *EI, *EV, *v; double ump_x1[20], ump_x2[20], lz1[19], lz2[19],d1[19], d2[19]; double x1px2, z1 = 0.0, z2 = 0.0, ki; int i, l, scale, modelCounter, model; if(!multiBranch) { z1 = ti->qz[0]; z2 = ti->rz[0]; } left_start = left = (double *)malloc(380 * numberOfModels * numberOfCategories * sizeof(double)); right_start = right = (double *)malloc(380 * numberOfModels * numberOfCategories * sizeof(double)); for(modelCounter = 0; modelCounter < numberOfModels; modelCounter++) { if(multiBranch) { z1 = ti->qz[modelCounter]; z2 = ti->rz[modelCounter]; } for(i = 0; i < 19; i++) lz1[i] = EIGN[modelCounter * 19 + i] * z1; for(i = 0; i < 19; i++) lz2[i] = EIGN[modelCounter * 19 + i] * z2; for(i = 0; i < numberOfCategories; i++) { ki = rptr[i]; d1[0] = exp (ki * lz1[0]); d1[1] = exp (ki * lz1[1]); d1[2] = exp (ki * lz1[2]); d1[3] = exp (ki * lz1[3]); d1[4] = exp (ki * lz1[4]); d1[5] = exp (ki * lz1[5]); d1[6] = exp (ki * lz1[6]); d1[7] = exp (ki * lz1[7]); d1[8] = exp (ki * lz1[8]); d1[9] = exp (ki * lz1[9]); d1[10] = exp (ki * lz1[10]); d1[11] = exp (ki * lz1[11]); d1[12] = exp (ki * lz1[12]); d1[13] = exp (ki * lz1[13]); d1[14] = exp (ki * lz1[14]); d1[15] = exp (ki * lz1[15]); d1[16] = exp (ki * lz1[16]); d1[17] = exp (ki * lz1[17]); d1[18] = exp (ki * lz1[18]); d2[0] = exp (ki * lz2[0]); d2[1] = exp (ki * lz2[1]); d2[2] = exp (ki * lz2[2]); d2[3] = exp (ki * lz2[3]); d2[4] = exp (ki * lz2[4]); d2[5] = exp (ki * lz2[5]); d2[6] = exp (ki * lz2[6]); d2[7] = exp (ki * lz2[7]); d2[8] = exp (ki * lz2[8]); d2[9] = exp (ki * lz2[9]); d2[10] = exp (ki * lz2[10]); d2[11] = exp (ki * lz2[11]); d2[12] = exp (ki * lz2[12]); d2[13] = exp (ki * lz2[13]); d2[14] = exp (ki * lz2[14]); d2[15] = exp (ki * lz2[15]); d2[16] = exp (ki * lz2[16]); d2[17] = exp (ki * lz2[17]); d2[18] = exp (ki * lz2[18]); EI = &(extEI[modelCounter * 380]); for(l = 0; l < 20; l++) { *left++ = d1[0] * *EI++; *left++ = d1[1] * *EI++; *left++ = d1[2] * *EI++; *left++ = d1[3] * *EI++; *left++ = d1[4] * *EI++; *left++ = d1[5] * *EI++; *left++ = d1[6] * *EI++; *left++ = d1[7] * *EI++; *left++ = d1[8] * *EI++; *left++ = d1[9] * *EI++; *left++ = d1[10] * *EI++; *left++ = d1[11] * *EI++; *left++ = d1[12] * *EI++; *left++ = d1[13] * *EI++; *left++ = d1[14] * *EI++; *left++ = d1[15] * *EI++; *left++ = d1[16] * *EI++; *left++ = d1[17] * *EI++; *left++ = d1[18] * *EI++; } EI = &(extEI[modelCounter * 380]); for(l = 0; l < 20; l++) { *right++ = d2[0] * *EI++; *right++ = d2[1] * *EI++; *right++ = d2[2] * *EI++; *right++ = d2[3] * *EI++; *right++ = d2[4] * *EI++; *right++ = d2[5] * *EI++; *right++ = d2[6] * *EI++; *right++ = d2[7] * *EI++; *right++ = d2[8] * *EI++; *right++ = d2[9] * *EI++; *right++ = d2[10] * *EI++; *right++ = d2[11] * *EI++; *right++ = d2[12] * *EI++; *right++ = d2[13] * *EI++; *right++ = d2[14] * *EI++; *right++ = d2[15] * *EI++; *right++ = d2[16] * *EI++; *right++ = d2[17] * *EI++; *right++ = d2[18] * *EI++; } } } switch(ti->tipCase) { case TIP_TIP: { for (i = lower; i < n; i++) { model = modelptr[i]; EV = &(extEV[model * 400]); left = &left_start[model * 380 * numberOfCategories + cptr[i] * 380]; v = &(tipVector[460 * model + 20 * tipX1[i]]); for(l = 0; l < 20; l++) { ump_x1[l] = v[0]; ump_x1[l] += v[1] * *left++; ump_x1[l] += v[2] * *left++; ump_x1[l] += v[3] * *left++; ump_x1[l] += v[4] * *left++; ump_x1[l] += v[5] * *left++; ump_x1[l] += v[6] * *left++; ump_x1[l] += v[7] * *left++; ump_x1[l] += v[8] * *left++; ump_x1[l] += v[9] * *left++; ump_x1[l] += v[10] * *left++; ump_x1[l] += v[11] * *left++; ump_x1[l] += v[12] * *left++; ump_x1[l] += v[13] * *left++; ump_x1[l] += v[14] * *left++; ump_x1[l] += v[15] * *left++; ump_x1[l] += v[16] * *left++; ump_x1[l] += v[17] * *left++; ump_x1[l] += v[18] * *left++; ump_x1[l] += v[19] * *left++; } v = &(tipVector[460 * model + 20 * tipX2[i]]); left = &right_start[model * 380 * numberOfCategories + cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *left++; ump_x2[l] += v[2] * *left++; ump_x2[l] += v[3] * *left++; ump_x2[l] += v[4] * *left++; ump_x2[l] += v[5] * *left++; ump_x2[l] += v[6] * *left++; ump_x2[l] += v[7] * *left++; ump_x2[l] += v[8] * *left++; ump_x2[l] += v[9] * *left++; ump_x2[l] += v[10] * *left++; ump_x2[l] += v[11] * *left++; ump_x2[l] += v[12] * *left++; ump_x2[l] += v[13] * *left++; ump_x2[l] += v[14] * *left++; ump_x2[l] += v[15] * *left++; ump_x2[l] += v[16] * *left++; ump_x2[l] += v[17] * *left++; ump_x2[l] += v[18] * *left++; ump_x2[l] += v[19] * *left++; } v = &x3[20 * i]; x1px2 = ump_x1[0] * ump_x2[0]; v[0] = x1px2 * *EV++; v[1] = x1px2 * *EV++; v[2] = x1px2 * *EV++; v[3] = x1px2 * *EV++; v[4] = x1px2 * *EV++; v[5] = x1px2 * *EV++; v[6] = x1px2 * *EV++; v[7] = x1px2 * *EV++; v[8] = x1px2 * *EV++; v[9] = x1px2 * *EV++; v[10] = x1px2 * *EV++; v[11] = x1px2 * *EV++; v[12] = x1px2 * *EV++; v[13] = x1px2 * *EV++; v[14] = x1px2 * *EV++; v[15] = x1px2 * *EV++; v[16] = x1px2 * *EV++; v[17] = x1px2 * *EV++; v[18] = x1px2 * *EV++; v[19] = x1px2 * *EV++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } /* NO SCALING AT TIPS */ ex3[i] = 0; } } break; case TIP_INNER: { for (i = lower; i < n; i++) { model = modelptr[i]; EV = &(extEV[model * 400]); v = &(tipVector[model * 460 + 20 * tipX1[i]]); left = &left_start[model * 380 * numberOfCategories + cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x1[l] = v[0]; ump_x1[l] += v[1] * *left++; ump_x1[l] += v[2] * *left++; ump_x1[l] += v[3] * *left++; ump_x1[l] += v[4] * *left++; ump_x1[l] += v[5] * *left++; ump_x1[l] += v[6] * *left++; ump_x1[l] += v[7] * *left++; ump_x1[l] += v[8] * *left++; ump_x1[l] += v[9] * *left++; ump_x1[l] += v[10] * *left++; ump_x1[l] += v[11] * *left++; ump_x1[l] += v[12] * *left++; ump_x1[l] += v[13] * *left++; ump_x1[l] += v[14] * *left++; ump_x1[l] += v[15] * *left++; ump_x1[l] += v[16] * *left++; ump_x1[l] += v[17] * *left++; ump_x1[l] += v[18] * *left++; ump_x1[l] += v[19] * *left++; } v = &x2[20 * i]; left = &right_start[model * 380 * numberOfCategories + cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *left++; ump_x2[l] += v[2] * *left++; ump_x2[l] += v[3] * *left++; ump_x2[l] += v[4] * *left++; ump_x2[l] += v[5] * *left++; ump_x2[l] += v[6] * *left++; ump_x2[l] += v[7] * *left++; ump_x2[l] += v[8] * *left++; ump_x2[l] += v[9] * *left++; ump_x2[l] += v[10] * *left++; ump_x2[l] += v[11] * *left++; ump_x2[l] += v[12] * *left++; ump_x2[l] += v[13] * *left++; ump_x2[l] += v[14] * *left++; ump_x2[l] += v[15] * *left++; ump_x2[l] += v[16] * *left++; ump_x2[l] += v[17] * *left++; ump_x2[l] += v[18] * *left++; ump_x2[l] += v[19] * *left++; } v = &x3[20 * i]; x1px2 = ump_x1[0] * ump_x2[0]; v[0] = x1px2 * *EV++; v[1] = x1px2 * *EV++; v[2] = x1px2 * *EV++; v[3] = x1px2 * *EV++; v[4] = x1px2 * *EV++; v[5] = x1px2 * *EV++; v[6] = x1px2 * *EV++; v[7] = x1px2 * *EV++; v[8] = x1px2 * *EV++; v[9] = x1px2 * *EV++; v[10] = x1px2 * *EV++; v[11] = x1px2 * *EV++; v[12] = x1px2 * *EV++; v[13] = x1px2 * *EV++; v[14] = x1px2 * *EV++; v[15] = x1px2 * *EV++; v[16] = x1px2 * *EV++; v[17] = x1px2 * *EV++; v[18] = x1px2 * *EV++; v[19] = x1px2 * *EV++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } scale = 1; for(l = 0; scale && (l < 20); l++) scale = ((v[l] < minlikelihood) && (v[l] > minusminlikelihood)); ex3[i] = ex2[i]; if(scale) { for(l = 0; l < 20; l++) v[l] *= twotothe256; ex3[i] += 1; } } } break; case INNER_INNER: for (i = lower; i < n; i++) { model = modelptr[i]; v = &x1[20 * i]; left = &left_start[model * 380 * numberOfCategories + cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x1[l] = v[0]; ump_x1[l] += v[1] * *left++; ump_x1[l] += v[2] * *left++; ump_x1[l] += v[3] * *left++; ump_x1[l] += v[4] * *left++; ump_x1[l] += v[5] * *left++; ump_x1[l] += v[6] * *left++; ump_x1[l] += v[7] * *left++; ump_x1[l] += v[8] * *left++; ump_x1[l] += v[9] * *left++; ump_x1[l] += v[10] * *left++; ump_x1[l] += v[11] * *left++; ump_x1[l] += v[12] * *left++; ump_x1[l] += v[13] * *left++; ump_x1[l] += v[14] * *left++; ump_x1[l] += v[15] * *left++; ump_x1[l] += v[16] * *left++; ump_x1[l] += v[17] * *left++; ump_x1[l] += v[18] * *left++; ump_x1[l] += v[19] * *left++; } v = &x2[20 * i]; left = &right_start[model * 380 * numberOfCategories + cptr[i] * 380]; for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *left++; ump_x2[l] += v[2] * *left++; ump_x2[l] += v[3] * *left++; ump_x2[l] += v[4] * *left++; ump_x2[l] += v[5] * *left++; ump_x2[l] += v[6] * *left++; ump_x2[l] += v[7] * *left++; ump_x2[l] += v[8] * *left++; ump_x2[l] += v[9] * *left++; ump_x2[l] += v[10] * *left++; ump_x2[l] += v[11] * *left++; ump_x2[l] += v[12] * *left++; ump_x2[l] += v[13] * *left++; ump_x2[l] += v[14] * *left++; ump_x2[l] += v[15] * *left++; ump_x2[l] += v[16] * *left++; ump_x2[l] += v[17] * *left++; ump_x2[l] += v[18] * *left++; ump_x2[l] += v[19] * *left++; } EV = &(extEV[model * 400]); v = &x3[20 * i]; x1px2 = ump_x1[0] * ump_x2[0]; v[0] = x1px2 * *EV++; v[1] = x1px2 * *EV++; v[2] = x1px2 * *EV++; v[3] = x1px2 * *EV++; v[4] = x1px2 * *EV++; v[5] = x1px2 * *EV++; v[6] = x1px2 * *EV++; v[7] = x1px2 * *EV++; v[8] = x1px2 * *EV++; v[9] = x1px2 * *EV++; v[10] = x1px2 * *EV++; v[11] = x1px2 * *EV++; v[12] = x1px2 * *EV++; v[13] = x1px2 * *EV++; v[14] = x1px2 * *EV++; v[15] = x1px2 * *EV++; v[16] = x1px2 * *EV++; v[17] = x1px2 * *EV++; v[18] = x1px2 * *EV++; v[19] = x1px2 * *EV++; for(l = 1; l < 20; l++) { x1px2 = ump_x1[l] * ump_x2[l]; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } scale = 1; for(l = 0; scale && (l < 20); l++) scale = ((v[l] < minlikelihood) && (v[l] > minusminlikelihood)); ex3[i] = ex1[i] + ex2[i]; if(scale) { for(l = 0; l < 20; l++) v[l] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); free(right_start); } static void newviewGTRGAMMAPROT(traversalInfo *ti, double *x1, double *x2, double *x3, double *EIGN, double *extEV, double *extEI, double *gammaRates, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int lower, int n, double z1, double z2) { double *left, *right, *left_start, *right_start, *uX1, *uX2, *v, *EV,*EI; double x1px2; int i, l, k, scale; double ki, ump_x1_0; double d1[19], d2[19]; double *vl, *vr, al, ar; left_start = left = (double *)malloc(1520 * sizeof(double)); right_start = right = (double *)malloc(1520 * sizeof(double)); for(i = 0; i < 4;i++) { ki = gammaRates[i]; for(k = 0; k < 19; k++) { d1[k] = exp (EIGN[k] * ki * z1); d2[k] = exp (EIGN[k] * ki * z2); } EI = extEI; for(k = 0; k < 20; k++) { *left++ = d1[0] * *EI++; *left++ = d1[1] * *EI++; *left++ = d1[2] * *EI++; *left++ = d1[3] * *EI++; *left++ = d1[4] * *EI++; *left++ = d1[5] * *EI++; *left++ = d1[6] * *EI++; *left++ = d1[7] * *EI++; *left++ = d1[8] * *EI++; *left++ = d1[9] * *EI++; *left++ = d1[10] * *EI++; *left++ = d1[11] * *EI++; *left++ = d1[12] * *EI++; *left++ = d1[13] * *EI++; *left++ = d1[14] * *EI++; *left++ = d1[15] * *EI++; *left++ = d1[16] * *EI++; *left++ = d1[17] * *EI++; *left++ = d1[18] * *EI++; } EI = extEI; for(k = 0; k < 20; k++) { *right++ = d2[0] * *EI++; *right++ = d2[1] * *EI++; *right++ = d2[2] * *EI++; *right++ = d2[3] * *EI++; *right++ = d2[4] * *EI++; *right++ = d2[5] * *EI++; *right++ = d2[6] * *EI++; *right++ = d2[7] * *EI++; *right++ = d2[8] * *EI++; *right++ = d2[9] * *EI++; *right++ = d2[10] * *EI++; *right++ = d2[11] * *EI++; *right++ = d2[12] * *EI++; *right++ = d2[13] * *EI++; *right++ = d2[14] * *EI++; *right++ = d2[15] * *EI++; *right++ = d2[16] * *EI++; *right++ = d2[17] * *EI++; *right++ = d2[18] * *EI++; } } switch(ti->tipCase) { case TIP_TIP: { double umpX1[1840], umpX2[1840]; uX1 = umpX1; uX2 = umpX2; for(i = 0; i < 23; i++) { v = &(tipVector[20 * i]); left = left_start; right = right_start; for(k = 0; k < 80; k++) { ump_x1_0 = v[0]; for(l = 1; l < 20; l++) ump_x1_0 += v[l] * *left++; *uX1++ = ump_x1_0; } for(k = 0; k < 80; k++) { ump_x1_0 = v[0]; for(l = 1; l < 20; l++) ump_x1_0 += v[l] * *right++; *uX2++ = ump_x1_0; } } for (i = lower; i < n; i++) { uX1 = &umpX1[80 * tipX1[i]]; uX2 = &umpX2[80 * tipX2[i]]; for(k = 0; k < 4; k++) { EV = extEV; x1px2 = *uX1++ * *uX2++; v = &(x3[80 * i + k * 20]); for(l = 0; l < 20; l++) v[l] = x1px2 * *EV++; for(l = 0; l < 19; l++) { x1px2 = *uX1++ * *uX2++; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } } ex3[i] = 0; } } break; case TIP_INNER: { double umpX1[1840], ump_x2[20]; uX1 = umpX1; for(i = 0; i < 23; i++) { v = &(tipVector[20 * i]); left = left_start; for(k = 0; k < 80; k++) { ump_x1_0 = v[0]; for(l = 1; l < 20; l++) ump_x1_0 += v[l] * *left++; *uX1++ = ump_x1_0; } } for (i = lower; i < n; i++) { right = right_start; uX1 = &umpX1[80 * tipX1[i]]; for(k = 0; k < 4; k++) { v = &(x2[80 * i + k * 20]); for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *right++; ump_x2[l] += v[2] * *right++; ump_x2[l] += v[3] * *right++; ump_x2[l] += v[4] * *right++; ump_x2[l] += v[5] * *right++; ump_x2[l] += v[6] * *right++; ump_x2[l] += v[7] * *right++; ump_x2[l] += v[8] * *right++; ump_x2[l] += v[9] * *right++; ump_x2[l] += v[10] * *right++; ump_x2[l] += v[11] * *right++; ump_x2[l] += v[12] * *right++; ump_x2[l] += v[13] * *right++; ump_x2[l] += v[14] * *right++; ump_x2[l] += v[15] * *right++; ump_x2[l] += v[16] * *right++; ump_x2[l] += v[17] * *right++; ump_x2[l] += v[18] * *right++; ump_x2[l] += v[19] * *right++; } uX2 = ump_x2; EV = extEV; x1px2 = *uX1++ * *uX2++; v = &(x3[80 * i + 20 * k]); for(l = 0; l < 20; l++) v[l] = x1px2 * *EV++; for(l = 0; l < 19; l++) { x1px2 = *uX1++ * *uX2++; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } } ex3[i] = ex2[i]; v = &x3[80 * i]; scale = 1; for(l = 0; scale && (l < 80); l++) scale = (ABS(v[l]) < minlikelihood); if (scale) { for(l = 0; l < 80; l++) v[l] *= twotothe256; ex3[i] += 1; } } } break; case INNER_INNER: for (i = lower; i < n; i++) { left = left_start; right = right_start; for(k = 0; k < 4; k++) { EV = extEV; vl = &(x1[80 * i + 20 * k]); vr = &(x2[80 * i + 20 * k]); v = &(x3[80 * i + 20 * k]); for(l = 0; l < 20; l++) v[l] = 0; for(l = 0; l < 20; l++) { al = vl[0]; al += vl[1] * *left++; al += vl[2] * *left++; al += vl[3] * *left++; al += vl[4] * *left++; al += vl[5] * *left++; al += vl[6] * *left++; al += vl[7] * *left++; al += vl[8] * *left++; al += vl[9] * *left++; al += vl[10] * *left++; al += vl[11] * *left++; al += vl[12] * *left++; al += vl[13] * *left++; al += vl[14] * *left++; al += vl[15] * *left++; al += vl[16] * *left++; al += vl[17] * *left++; al += vl[18] * *left++; al += vl[19] * *left++; ar = vr[0]; ar += vr[1] * *right++; ar += vr[2] * *right++; ar += vr[3] * *right++; ar += vr[4] * *right++; ar += vr[5] * *right++; ar += vr[6] * *right++; ar += vr[7] * *right++; ar += vr[8] * *right++; ar += vr[9] * *right++; ar += vr[10] * *right++; ar += vr[11] * *right++; ar += vr[12] * *right++; ar += vr[13] * *right++; ar += vr[14] * *right++; ar += vr[15] * *right++; ar += vr[16] * *right++; ar += vr[17] * *right++; ar += vr[18] * *right++; ar += vr[19] * *right++; x1px2 = al * ar; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } } ex3[i] = ex1[i] + ex2[i]; v = &(x3[80 * i]); scale = 1; for(l = 0; scale && (l < 80); l++) scale = ((ABS(v[l]) < minlikelihood)); if (scale) { for(l = 0; l < 80; l++) v[l] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); free(right_start); } static void newviewGTRGAMMAPROTMULT(traversalInfo *ti, double *x1, double *x2, double *x3, double *extEIGN, double *extEV, double *extEI, double *gammaRates, double *tipVector, int *ex1, int *ex2, int *ex3, char *tipX1, char *tipX2, int *modelptr, int lower, int n, int numberOfModels, int multiBranch) { double *left, *right, *left_start, *right_start, *uX1, *uX2, *v, *EV, *EI, *EIGN; double x1px2; int i, l, k, scale; double z1 = 0.0, z2 = 0.0, ki, ump_x1_0; double d1[19], d2[19]; double *vl, *vr, al, ar; int model; if(!multiBranch) { z1 = ti->qz[0]; z2 = ti->rz[0]; } left_start = left = (double *)malloc(numberOfModels * 1520 * sizeof(double)); right_start = right = (double *)malloc(numberOfModels * 1520 * sizeof(double)); for(model = 0; model < numberOfModels; model++) { if(multiBranch) { z1 = ti->qz[model]; z2 = ti->rz[model]; } EIGN = &(extEIGN[19 * model]); left = &left_start[model * 1520]; right = &right_start[model * 1520]; for(i = 0; i < 4;i++) { ki = gammaRates[model * 4 + i]; for(k = 0; k < 19; k++) { d1[k] = exp (EIGN[k] * ki * z1); d2[k] = exp (EIGN[k] * ki * z2); } EI = &(extEI[model * 380]); for(k = 0; k < 20; k++) { *left++ = d1[0] * *EI++; *left++ = d1[1] * *EI++; *left++ = d1[2] * *EI++; *left++ = d1[3] * *EI++; *left++ = d1[4] * *EI++; *left++ = d1[5] * *EI++; *left++ = d1[6] * *EI++; *left++ = d1[7] * *EI++; *left++ = d1[8] * *EI++; *left++ = d1[9] * *EI++; *left++ = d1[10] * *EI++; *left++ = d1[11] * *EI++; *left++ = d1[12] * *EI++; *left++ = d1[13] * *EI++; *left++ = d1[14] * *EI++; *left++ = d1[15] * *EI++; *left++ = d1[16] * *EI++; *left++ = d1[17] * *EI++; *left++ = d1[18] * *EI++; } EI = &(extEI[model * 380]); for(k = 0; k < 20; k++) { *right++ = d2[0] * *EI++; *right++ = d2[1] * *EI++; *right++ = d2[2] * *EI++; *right++ = d2[3] * *EI++; *right++ = d2[4] * *EI++; *right++ = d2[5] * *EI++; *right++ = d2[6] * *EI++; *right++ = d2[7] * *EI++; *right++ = d2[8] * *EI++; *right++ = d2[9] * *EI++; *right++ = d2[10] * *EI++; *right++ = d2[11] * *EI++; *right++ = d2[12] * *EI++; *right++ = d2[13] * *EI++; *right++ = d2[14] * *EI++; *right++ = d2[15] * *EI++; *right++ = d2[16] * *EI++; *right++ = d2[17] * *EI++; *right++ = d2[18] * *EI++; } } } switch(ti->tipCase) { case TIP_TIP: { double *umpX1, *umpX2; umpX1 = (double *)malloc(1840 * numberOfModels * sizeof(double)); umpX2 = (double *)malloc(1840 * numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { uX1 = &umpX1[1840 * model]; uX2 = &umpX2[1840 * model]; for(i = 0; i < 23; i++) { v = &(tipVector[model * 460 + i * 20]); left = &left_start[model * 1520]; right = &right_start[model * 1520]; for(k = 0; k < 80; k++) { ump_x1_0 = v[0]; for(l = 1; l < 20; l++) ump_x1_0 += v[l] * *left++; *uX1++ = ump_x1_0; } for(k = 0; k < 80; k++) { ump_x1_0 = v[0]; for(l = 1; l < 20; l++) ump_x1_0 += v[l] * *right++; *uX2++ = ump_x1_0; } } } for(i = lower; i < n; i++) { model = modelptr[i]; uX1 = &umpX1[1840 * model + 80 * tipX1[i]]; uX2 = &umpX2[1840 * model + 80 * tipX2[i]]; for(k = 0; k < 4; k++) { EV = &(extEV[model * 400]); x1px2 = *uX1++ * *uX2++; v = &(x3[80 * i + k * 20]); for(l = 0; l < 20; l++) v[l] = x1px2 * *EV++; for(l = 0; l < 19; l++) { x1px2 = *uX1++ * *uX2++; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } } ex3[i] = 0; } free(umpX1); free(umpX2); } break; case TIP_INNER: { double *umpX1, ump_x2[20]; umpX1 = (double *)malloc(1840 * numberOfModels * sizeof(double)); for(model = 0; model < numberOfModels; model++) { uX1 = &umpX1[1840 * model]; for(i = 0; i < 23; i++) { v = &(tipVector[model * 460 + 20 * i]); left = &left_start[model * 1520]; for(k = 0; k < 80; k++) { ump_x1_0 = v[0]; for(l = 1; l < 20; l++) ump_x1_0 += v[l] * *left++; *uX1++ = ump_x1_0; } } } for (i = lower; i < n; i++) { model = modelptr[i]; right = &right_start[model * 1520]; uX1 = &umpX1[1840 * model + 80 * tipX1[i]]; for(k = 0; k < 4; k++) { v = &(x2[80 * i + k * 20]); for(l = 0; l < 20; l++) { ump_x2[l] = v[0]; ump_x2[l] += v[1] * *right++; ump_x2[l] += v[2] * *right++; ump_x2[l] += v[3] * *right++; ump_x2[l] += v[4] * *right++; ump_x2[l] += v[5] * *right++; ump_x2[l] += v[6] * *right++; ump_x2[l] += v[7] * *right++; ump_x2[l] += v[8] * *right++; ump_x2[l] += v[9] * *right++; ump_x2[l] += v[10] * *right++; ump_x2[l] += v[11] * *right++; ump_x2[l] += v[12] * *right++; ump_x2[l] += v[13] * *right++; ump_x2[l] += v[14] * *right++; ump_x2[l] += v[15] * *right++; ump_x2[l] += v[16] * *right++; ump_x2[l] += v[17] * *right++; ump_x2[l] += v[18] * *right++; ump_x2[l] += v[19] * *right++; } uX2 = ump_x2; EV = &(extEV[model * 400]); x1px2 = *uX1++ * *uX2++; v = &(x3[80 * i + 20 * k]); for(l = 0; l < 20; l++) v[l] = x1px2 * *EV++; for(l = 0; l < 19; l++) { x1px2 = *uX1++ * *uX2++; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } } ex3[i] = ex2[i]; v = &x3[80 * i]; scale = 1; for(l = 0; scale && (l < 80); l++) scale = (ABS(v[l]) < minlikelihood); if (scale) { for(l = 0; l < 80; l++) v[l] *= twotothe256; ex3[i] += 1; } } free(umpX1); } break; case INNER_INNER: for (i = lower; i < n; i++) { model = modelptr[i]; left = &left_start[model * 1520]; right = &right_start[model * 1520]; for(k = 0; k < 4; k++) { EV = &(extEV[model * 400]); vl = &(x1[80 * i + 20 * k]); vr = &(x2[80 * i + 20 * k]); v = &(x3[80 * i + 20 * k]); for(l = 0; l < 20; l++) v[l] = 0; for(l = 0; l < 20; l++) { al = vl[0]; al += vl[1] * *left++; al += vl[2] * *left++; al += vl[3] * *left++; al += vl[4] * *left++; al += vl[5] * *left++; al += vl[6] * *left++; al += vl[7] * *left++; al += vl[8] * *left++; al += vl[9] * *left++; al += vl[10] * *left++; al += vl[11] * *left++; al += vl[12] * *left++; al += vl[13] * *left++; al += vl[14] * *left++; al += vl[15] * *left++; al += vl[16] * *left++; al += vl[17] * *left++; al += vl[18] * *left++; al += vl[19] * *left++; ar = vr[0]; ar += vr[1] * *right++; ar += vr[2] * *right++; ar += vr[3] * *right++; ar += vr[4] * *right++; ar += vr[5] * *right++; ar += vr[6] * *right++; ar += vr[7] * *right++; ar += vr[8] * *right++; ar += vr[9] * *right++; ar += vr[10] * *right++; ar += vr[11] * *right++; ar += vr[12] * *right++; ar += vr[13] * *right++; ar += vr[14] * *right++; ar += vr[15] * *right++; ar += vr[16] * *right++; ar += vr[17] * *right++; ar += vr[18] * *right++; ar += vr[19] * *right++; x1px2 = al * ar; v[0] += x1px2 * *EV++; v[1] += x1px2 * *EV++; v[2] += x1px2 * *EV++; v[3] += x1px2 * *EV++; v[4] += x1px2 * *EV++; v[5] += x1px2 * *EV++; v[6] += x1px2 * *EV++; v[7] += x1px2 * *EV++; v[8] += x1px2 * *EV++; v[9] += x1px2 * *EV++; v[10] += x1px2 * *EV++; v[11] += x1px2 * *EV++; v[12] += x1px2 * *EV++; v[13] += x1px2 * *EV++; v[14] += x1px2 * *EV++; v[15] += x1px2 * *EV++; v[16] += x1px2 * *EV++; v[17] += x1px2 * *EV++; v[18] += x1px2 * *EV++; v[19] += x1px2 * *EV++; } } ex3[i] = ex1[i] + ex2[i]; v = &(x3[80 * i]); scale = 1; for(l = 0; scale && (l < 80); l++) scale = ((ABS(v[l]) < minlikelihood)); if(scale) { for(l = 0; l < 80; l++) v[l] *= twotothe256; ex3[i] += 1; } } break; default: assert(0); } free(left_start); free(right_start); } #ifdef _MULTI_GENE void computeMultiTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int model) { if(isTip(p->number, maxTips)) { assert(p->backs[model]); return; } if(!p->backs[model]) { assert(0); } else { nodeptr q = p->next->backs[model]; nodeptr r = p->next->next->backs[model]; assert(p == p->next->next->next); assert(q && r); if(isTip(r->number, maxTips) && isTip(q->number, maxTips)) { while (! p->xs[model]) { if (! p->xs[model]) getxsnode(p, model); } assert(p->xs[model]); ti[*counter].tipCase = TIP_TIP; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; { double z; z = q->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[model] = z; z = r->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[model] = z; } *counter = *counter + 1; } else { if(isTip(r->number, maxTips) || isTip(q->number, maxTips)) { nodeptr tmp; if(isTip(r->number, maxTips)) { tmp = r; r = q; q = tmp; } while ((! p->xs[model]) || (! r->xs[model])) { if (! r->xs[model]) computeMultiTraversalInfo(r, ti, counter, maxTips, model); if (! p->xs[model]) getxsnode(p, model); } assert(p->xs[model] && r->xs[model]); ti[*counter].tipCase = TIP_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; { double z; z = q->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[model] = z; z = r->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[model] = z; } *counter = *counter + 1; } else { while ((! p->xs[model]) || (! q->xs[model]) || (! r->xs[model])) { if (! q->xs[model]) computeMultiTraversalInfo(q, ti, counter, maxTips, model); if (! r->xs[model]) computeMultiTraversalInfo(r, ti, counter, maxTips, model); if (! p->xs[model]) getxsnode(p, model); } assert(p->xs[model] && r->xs[model] && q->xs[model]); ti[*counter].tipCase = INNER_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; { double z; z = q->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[model] = z; z = r->z[model]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[model] = z; } *counter = *counter + 1; } } } } #endif void computeTraversalInfo(nodeptr p, traversalInfo *ti, int *counter, int maxTips, int numBranches) { if(isTip(p->number, maxTips)) return; { int i; nodeptr q = p->next->back; nodeptr r = p->next->next->back; if(isTip(r->number, maxTips) && isTip(q->number, maxTips)) { while (! p->x) { if (! p->x) getxnode(p); } ti[*counter].tipCase = TIP_TIP; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; for(i = 0; i < numBranches; i++) { double z; z = q->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[i] = z; z = r->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[i] = z; } *counter = *counter + 1; } else { if(isTip(r->number, maxTips) || isTip(q->number, maxTips)) { nodeptr tmp; if(isTip(r->number, maxTips)) { tmp = r; r = q; q = tmp; } while ((! p->x) || (! r->x)) { if (! r->x) computeTraversalInfo(r, ti, counter, maxTips, numBranches); if (! p->x) getxnode(p); } ti[*counter].tipCase = TIP_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; for(i = 0; i < numBranches; i++) { double z; z = q->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[i] = z; z = r->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[i] = z; } *counter = *counter + 1; } else { while ((! p->x) || (! q->x) || (! r->x)) { if (! q->x) computeTraversalInfo(q, ti, counter, maxTips, numBranches); if (! r->x) computeTraversalInfo(r, ti, counter, maxTips, numBranches); if (! p->x) getxnode(p); } ti[*counter].tipCase = INNER_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; for(i = 0; i < numBranches; i++) { double z; z = q->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].qz[i] = z; z = r->z[i]; z = (z > zmin) ? log(z) : log(zmin); ti[*counter].rz[i] = z; } *counter = *counter + 1; } } } } static void newviewMixedData(int model, tree *tr, traversalInfo *tInfo) { double *x1_start = (double*)NULL, *x2_start = (double*)NULL, *x3_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL, *ex3 = (int*)NULL; char *tipX1 = (char *)NULL, *tipX2 = (char *)NULL; int branchIndex; /*int l = tr->modelIndices[model][0]; int u = tr->modelIndices[model][1]; */ int l = tr->partitionData[model].lower; int u = tr->partitionData[model].upper; int width = u - l; /*int offset = tr->modelOffsets[model]; */ int offset = tr->partitionData[model].modelOffset; if(tr->multiBranch) branchIndex = model; else branchIndex = 0; switch(tInfo->tipCase) { case TIP_TIP: tipX1 = tr->yVector[tInfo->qNumber]; tipX1 = &tipX1[l]; tipX2 = tr->yVector[tInfo->rNumber]; tipX2 = &tipX2[l]; x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = &x3_start[offset]; ex3 = &ex3[l]; break; case TIP_INNER: tipX1 = tr->yVector[tInfo->qNumber]; tipX1 = &tipX1[l]; x2_start = getLikelihoodArray(tInfo->rNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(tInfo->rNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x2_start = &x2_start[offset]; ex2 = &ex2[l]; x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = &x3_start[offset]; ex3 = &ex3[l]; break; case INNER_INNER: x1_start = getLikelihoodArray(tInfo->qNumber, tr->mxtips, tr->xVector); ex1 = getScalingArray(tInfo->qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x1_start = &x1_start[offset]; ex1 = &ex1[l]; x2_start = getLikelihoodArray(tInfo->rNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(tInfo->rNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x2_start = &x2_start[offset]; ex2 = &ex2[l]; x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = &x3_start[offset]; ex3 = &ex3[l]; break; default: assert(0); } switch(/*tr->dataType[model]*/ tr->partitionData[model].dataType) { case DNA_DATA: switch(tr->rateHetModel) { case CAT: newviewGTRCAT(tInfo, &(tr->EV_DNA[model * 16]), &(tr->EI_DNA[model * 12]), &(tr->EIGN_DNA[model * 3]), &(tr->cdta->patrat[0]), &(tr->cdta->rateCategory[l]), x1_start, x2_start, x3_start, &(tr->tipVectorDNA[model * 64]), ex1, ex2, ex3, tipX1, tipX2, 0, width, tr->NumberOfCategories, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; case GAMMA: case GAMMA_I: newviewGTRGAMMA(tInfo, x1_start, x2_start, x3_start, &(tr->EIGN_DNA[model * 3]), &(tr->EV_DNA[model * 16]), &(tr->EI_DNA[model * 12]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), ex1, ex2, ex3, tipX1, tipX2, 0, width, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; default: assert(0); } break; case AA_DATA: switch(tr->rateHetModel) { case CAT: newviewGTRCATPROT(tInfo, &(tr->EV_AA[400 * model]), &(tr->EI_AA[380 * model]), &(tr->EIGN_AA[19 * model]), &(tr->cdta->patrat[0]), &(tr->cdta->rateCategory[l]), x1_start, x2_start, x3_start, &(tr->tipVectorAA[model * 460]), ex1, ex2, ex3, tipX1, tipX2, 0, width, tr->NumberOfCategories, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; case GAMMA: case GAMMA_I: newviewGTRGAMMAPROT(tInfo, x1_start, x2_start, x3_start, &(tr->EIGN_AA[model * 19]), &(tr->EV_AA[model * 400]), &(tr->EI_AA[model * 380]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), ex1, ex2, ex3, tipX1, tipX2, 0, width, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; default: assert(0); } break; default: assert(0); } } #ifdef _LOCAL_DATA void newviewIterative (tree *localTree, int startIndex, int endIndex) { /* LTD */ traversalInfo *ti = localTree->td[0].ti; int i; for(i = 1; i < localTree->td[0].count; i++) { traversalInfo *tInfo = &ti[i]; if(localTree->mixedData) { int model; assert(0); for(model = 0; model < localTree->NumberOfModels; model++) newviewMixedData(model, localTree, tInfo); } else { double *x1_start = (double*)NULL, *x2_start = (double*)NULL, *x3_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL, *ex3 = (int*)NULL; char *tipX1 = (char *)NULL, *tipX2 = (char *)NULL; switch(tInfo->tipCase) { case TIP_TIP: tipX1 = &localTree->strided_yVector[tInfo->qNumber][startIndex]; tipX2 = &localTree->strided_yVector[tInfo->rNumber][startIndex]; x3_start = getLikelihoodArray(tInfo->pNumber, localTree->mxtips, localTree->xVector); ex3 = getScalingArray(tInfo->pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); break; case TIP_INNER: tipX1 = &localTree->strided_yVector[tInfo->qNumber][startIndex]; x2_start = getLikelihoodArray(tInfo->rNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(tInfo->rNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, localTree->mxtips, localTree->xVector); ex3 = getScalingArray(tInfo->pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); break; case INNER_INNER: x1_start = getLikelihoodArray(tInfo->qNumber, localTree->mxtips, localTree->xVector); ex1 = getScalingArray(tInfo->qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); x2_start = getLikelihoodArray(tInfo->rNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(tInfo->rNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, localTree->mxtips, localTree->xVector); ex3 = getScalingArray(tInfo->pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); break; default: assert(0); } switch(localTree->likelihoodFunction) { case GTRCAT: newviewGTRCAT(tInfo, localTree->EV_DNA, localTree->EI_DNA, localTree->EIGN_DNA, localTree->strided_patrat, &(localTree->strided_rateCategory[startIndex]), x1_start, x2_start, x3_start, localTree->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, 0, (endIndex - startIndex), localTree->NumberOfCategories, tInfo->qz[0], tInfo->rz[0] ); break; case GTRCATMULT: newviewGTRCATMULT(tInfo, localTree->EV_DNA, localTree->EI_DNA, localTree->EIGN_DNA, localTree->strided_patrat, &(localTree->strided_rateCategory[startIndex]), x1_start, x2_start, x3_start, localTree->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex), localTree->NumberOfCategories, localTree->NumberOfModels, localTree->multiBranch); break; case PROTCAT: newviewGTRCATPROT(tInfo, localTree->EV_AA, localTree->EI_AA, localTree->EIGN_AA, localTree->strided_patrat, &(localTree->strided_rateCategory[startIndex]), x1_start, x2_start, x3_start, localTree->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, 0, (endIndex - startIndex), localTree->NumberOfCategories, tInfo->qz[0], tInfo->rz[0]); break; case PROTCATMULT: newviewGTRCATPROTMULT(tInfo, localTree->EV_AA, localTree->EI_AA, localTree->EIGN_AA, localTree->strided_patrat, &(localTree->strided_rateCategory[startIndex]), x1_start, x2_start, x3_start, localTree->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex), localTree->NumberOfCategories, localTree->NumberOfModels, localTree->multiBranch); break; case GTRGAMMA: case GTRGAMMAI: newviewGTRGAMMA(tInfo, x1_start, x2_start, x3_start, localTree->EIGN_DNA, localTree->EV_DNA, localTree->EI_DNA, localTree->gammaRates, localTree->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, 0, (endIndex - startIndex), tInfo->qz[0], tInfo->rz[0]); break; case GTRGAMMAMULT: case GTRGAMMAMULTI: newviewGTRGAMMAMULT(tInfo, x1_start, x2_start, x3_start, localTree->EIGN_DNA, localTree->EV_DNA, localTree->EI_DNA, localTree->gammaRates, localTree->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex), localTree->NumberOfModels, localTree->multiBranch); break; case PROTGAMMA: case PROTGAMMAI: newviewGTRGAMMAPROT(tInfo, x1_start, x2_start, x3_start, localTree->EIGN_AA, localTree->EV_AA, localTree->EI_AA, localTree->gammaRates, localTree->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, 0, (endIndex - startIndex), tInfo->qz[0], tInfo->rz[0]); break; case PROTGAMMAMULT: case PROTGAMMAMULTI: newviewGTRGAMMAPROTMULT(tInfo, x1_start, x2_start, x3_start, localTree->EIGN_AA, localTree->EV_AA, localTree->EI_AA, localTree->gammaRates, localTree->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, &(localTree->strided_model[startIndex]), 0, (endIndex - startIndex), localTree->NumberOfModels, localTree->multiBranch); break; default: assert(0); } } } } #else void newviewIterative (tree *tr, int startIndex, int endIndex) { traversalInfo *ti = tr->td[0].ti; int i; for(i = 1; i < tr->td[0].count; i++) { traversalInfo *tInfo = &ti[i]; if(tr->mixedData) { int model; for(model = 0; model < tr->NumberOfModels; model++) newviewMixedData(model, tr, tInfo); } else { double *x1_start = (double*)NULL, *x2_start = (double*)NULL, *x3_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL, *ex3 = (int*)NULL; char *tipX1 = (char *)NULL, *tipX2 = (char *)NULL; switch(tInfo->tipCase) { case TIP_TIP: tipX1 = tr->yVector[tInfo->qNumber]; tipX2 = tr->yVector[tInfo->rNumber]; x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); break; case TIP_INNER: tipX1 = tr->yVector[tInfo->qNumber]; x2_start = getLikelihoodArray(tInfo->rNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(tInfo->rNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); break; case INNER_INNER: x1_start = getLikelihoodArray(tInfo->qNumber, tr->mxtips, tr->xVector); ex1 = getScalingArray(tInfo->qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x2_start = getLikelihoodArray(tInfo->rNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(tInfo->rNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); break; default: assert(0); } switch(tr->likelihoodFunction) { case GTRCAT: newviewGTRCAT(tInfo, tr->EV_DNA, tr->EI_DNA, tr->EIGN_DNA, tr->cdta->patrat, tr->cdta->rateCategory, x1_start, x2_start, x3_start, tr->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, startIndex, endIndex, tr->NumberOfCategories, tInfo->qz[0], tInfo->rz[0] ); break; case GTRCATMULT: newviewGTRCATMULT(tInfo, tr->EV_DNA, tr->EI_DNA, tr->EIGN_DNA, tr->cdta->patrat, tr->cdta->rateCategory, x1_start, x2_start, x3_start, tr->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, tr->model, startIndex, endIndex, tr->NumberOfCategories, tr->NumberOfModels, tr->multiBranch); break; case PROTCAT: newviewGTRCATPROT(tInfo, tr->EV_AA, tr->EI_AA, tr->EIGN_AA, tr->cdta->patrat, tr->cdta->rateCategory, x1_start, x2_start, x3_start, tr->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, startIndex, endIndex, tr->NumberOfCategories, tInfo->qz[0], tInfo->rz[0]); break; case PROTCATMULT: newviewGTRCATPROTMULT(tInfo, tr->EV_AA, tr->EI_AA, tr->EIGN_AA, tr->cdta->patrat, tr->cdta->rateCategory, x1_start, x2_start, x3_start, tr->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, tr->model, startIndex, endIndex, tr->NumberOfCategories, tr->NumberOfModels, tr->multiBranch); break; case GTRGAMMA: case GTRGAMMAI: newviewGTRGAMMA(tInfo, x1_start, x2_start, x3_start, tr->EIGN_DNA, tr->EV_DNA, tr->EI_DNA, tr->gammaRates, tr->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, startIndex, endIndex, tInfo->qz[0], tInfo->rz[0]); break; case GTRGAMMAMULT: case GTRGAMMAMULTI: newviewGTRGAMMAMULT(tInfo, x1_start, x2_start, x3_start, tr->EIGN_DNA, tr->EV_DNA, tr->EI_DNA, tr->gammaRates, tr->tipVectorDNA, ex1, ex2, ex3, tipX1, tipX2, tr->model, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; case PROTGAMMA: case PROTGAMMAI: newviewGTRGAMMAPROT(tInfo, x1_start, x2_start, x3_start, tr->EIGN_AA, tr->EV_AA, tr->EI_AA, tr->gammaRates, tr->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, startIndex, endIndex, tInfo->qz[0], tInfo->rz[0]); break; case PROTGAMMAMULT: case PROTGAMMAMULTI: newviewGTRGAMMAPROTMULT(tInfo, x1_start, x2_start, x3_start, tr->EIGN_AA, tr->EV_AA, tr->EI_AA, tr->gammaRates, tr->tipVectorAA, ex1, ex2, ex3, tipX1, tipX2, tr->model, startIndex, endIndex, tr->NumberOfModels, tr->multiBranch); break; default: assert(0); } } } } #endif void newviewGeneric (tree *tr, nodeptr p) { if(isTip(p->number, tr->rdta->numsp)) return; #ifdef _MULTI_GENE if(tr->doMulti) { int model; for(model = 0; model < tr->numBranches; model++) { tr->td[model].count = 1; computeMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); if(tr->td[model].count > 1) newviewIterativePartition(tr, tr->partitionData[model].lower, tr->partitionData[model].lower, model); } } else #endif { tr->td[0].count = 1; computeTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(tr->td[0].count > 1) { #ifdef _USE_PTHREADS masterBarrier(THREAD_NEWVIEW, tr); #else newviewIterative(tr, 0, tr->cdta->endsite); #endif } } } #ifdef _LOCAL_DATA void newviewIterativePartition(tree *localTree, int lower, int upper, int model) { traversalInfo *ti = localTree->td[0].ti; int i, branchIndex; if(localTree->multiBranch) branchIndex = model; else branchIndex = 0; for(i = 1; i < localTree->td[0].count; i++) { traversalInfo *tInfo = &ti[i]; if(localTree->mixedData) { assert(0); newviewMixedData(model, localTree, tInfo); } else { double *x1_start = (double*)NULL, *x2_start = (double*)NULL, *x3_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL, *ex3 = (int*)NULL; char *tipX1 = (char *)NULL, *tipX2 = (char *)NULL; switch(tInfo->tipCase) { case TIP_TIP: tipX1 = localTree->strided_yVector[tInfo->qNumber]; tipX2 = localTree->strided_yVector[tInfo->rNumber]; x3_start = getLikelihoodArray(tInfo->pNumber, localTree->mxtips, localTree->xVector); ex3 = getScalingArray(tInfo->pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); break; case TIP_INNER: tipX1 = localTree->strided_yVector[tInfo->qNumber]; x2_start = getLikelihoodArray(tInfo->rNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(tInfo->rNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, localTree->mxtips, localTree->xVector); ex3 = getScalingArray(tInfo->pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); break; case INNER_INNER: x1_start = getLikelihoodArray(tInfo->qNumber, localTree->mxtips, localTree->xVector); ex1 = getScalingArray(tInfo->qNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); x2_start = getLikelihoodArray(tInfo->rNumber, localTree->mxtips, localTree->xVector); ex2 = getScalingArray(tInfo->rNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, localTree->mxtips, localTree->xVector); ex3 = getScalingArray(tInfo->pNumber, localTree->mySpan, localTree->mxtips, localTree->expArray); break; default: assert(0); } switch(localTree->likelihoodFunction) { case GTRCAT: case GTRCATMULT: newviewGTRCAT(tInfo, &(localTree->EV_DNA[model * 16]), &(localTree->EI_DNA[model * 12]), &(localTree->EIGN_DNA[model * 3]), localTree->strided_patrat, localTree->strided_rateCategory, x1_start, x2_start, x3_start, &(localTree->tipVectorDNA[model * 64]), ex1, ex2, ex3, tipX1, tipX2, lower, upper, localTree->NumberOfCategories, tInfo->qz[branchIndex], tInfo->rz[branchIndex] ); break; case GTRGAMMA: /* needed for rate opt*/ case GTRGAMMAI: /* needed for rate opt*/ case GTRGAMMAMULT: case GTRGAMMAMULTI: newviewGTRGAMMA(tInfo, x1_start, x2_start, x3_start, &(localTree->EIGN_DNA[model * 3]), &(localTree->EV_DNA[model * 16]), &(localTree->EI_DNA[model * 12]), &(localTree->gammaRates[model * 4]), &(localTree->tipVectorDNA[model * 64]), ex1, ex2, ex3, tipX1, tipX2, lower, upper, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; case PROTGAMMA: /* needed for rate opt*/ case PROTGAMMAI: /* needed for rate opt*/ case PROTGAMMAMULT: case PROTGAMMAMULTI: newviewGTRGAMMAPROT(tInfo, x1_start, x2_start, x3_start, &(localTree->EIGN_AA[model * 19]), &(localTree->EV_AA[model * 400]), &(localTree->EI_AA[model * 380]), &(localTree->gammaRates[model * 4]), &(localTree->tipVectorAA[model * 460]), ex1, ex2, ex3, tipX1, tipX2, lower, upper, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; default: assert(0); } } } } #else void newviewIterativePartition(tree *tr, int lower, int upper, int model) { traversalInfo *ti; int i, branchIndex, count; #ifdef _MULTI_GENE if(tr->doMulti) { assert(multiBranch); count = tr->td[model].count; ti = &(tr->td[model].ti[0]); } else #endif { count = tr->td[0].count; ti = tr->td[0].ti; } if(tr->multiBranch) branchIndex = model; else branchIndex = 0; for(i = 1; i < count; i++) { traversalInfo *tInfo = &ti[i]; if(tr->mixedData) newviewMixedData(model, tr, tInfo); else { double *x1_start = (double*)NULL, *x2_start = (double*)NULL, *x3_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL, *ex3 = (int*)NULL; char *tipX1 = (char *)NULL, *tipX2 = (char *)NULL; #ifdef _MULTI_GENE /*if(tr->doMulti) printf("Doing %d %d into %d\n", tInfo->qNumber, tInfo->rNumber, tInfo->pNumber);*/ #endif switch(tInfo->tipCase) { case TIP_TIP: #ifdef _MULTI_GENE /*printf("TIP_TIP %d %d\n", tInfo->qNumber, tInfo->rNumber);*/ #endif tipX1 = tr->yVector[tInfo->qNumber]; tipX2 = tr->yVector[tInfo->rNumber]; x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); break; case TIP_INNER: #ifdef _MULTI_GENE /*printf("TIP_INNER %d %d\n", tInfo->qNumber, tInfo->rNumber);*/ #endif tipX1 = tr->yVector[tInfo->qNumber]; x2_start = getLikelihoodArray(tInfo->rNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(tInfo->rNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); break; case INNER_INNER: #ifdef _MULTI_GENE /*printf("INNER_INNER %d %d\n", tInfo->qNumber, tInfo->rNumber);*/ #endif x1_start = getLikelihoodArray(tInfo->qNumber, tr->mxtips, tr->xVector); ex1 = getScalingArray(tInfo->qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x2_start = getLikelihoodArray(tInfo->rNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(tInfo->rNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); x3_start = getLikelihoodArray(tInfo->pNumber, tr->mxtips, tr->xVector); ex3 = getScalingArray(tInfo->pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); break; default: assert(0); } switch(tr->likelihoodFunction) { case GTRCAT: case GTRCATMULT: newviewGTRCAT(tInfo, &(tr->EV_DNA[model * 16]), &(tr->EI_DNA[model * 12]), &(tr->EIGN_DNA[model * 3]), tr->cdta->patrat, tr->cdta->rateCategory, x1_start, x2_start, x3_start, &(tr->tipVectorDNA[model * 64]), ex1, ex2, ex3, tipX1, tipX2, lower, upper, tr->NumberOfCategories, tInfo->qz[branchIndex], tInfo->rz[branchIndex] ); break; case GTRGAMMA: /* needed for rate opt*/ case GTRGAMMAI: /* needed for rate opt*/ case GTRGAMMAMULT: case GTRGAMMAMULTI: newviewGTRGAMMA(tInfo, x1_start, x2_start, x3_start, &(tr->EIGN_DNA[model * 3]), &(tr->EV_DNA[model * 16]), &(tr->EI_DNA[model * 12]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), ex1, ex2, ex3, tipX1, tipX2, lower, upper, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; case PROTGAMMA: /* needed for rate opt*/ case PROTGAMMAI: /* needed for rate opt*/ case PROTGAMMAMULT: case PROTGAMMAMULTI: newviewGTRGAMMAPROT(tInfo, x1_start, x2_start, x3_start, &(tr->EIGN_AA[model * 19]), &(tr->EV_AA[model * 400]), &(tr->EI_AA[model * 380]), &(tr->gammaRates[model * 4]), &(tr->tipVectorAA[model * 460]), ex1, ex2, ex3, tipX1, tipX2, lower, upper, tInfo->qz[branchIndex], tInfo->rz[branchIndex]); break; default: assert(0); } } } } #endif void newviewPartitionGeneric (tree *tr, nodeptr p, int model) { if(isTip(p->number, tr->rdta->numsp)) return; { #ifndef _USE_PTHREADS int lower = tr->partitionData[model].lower; int upper = tr->partitionData[model].upper; #endif tr->td[0].count = 1; tr->modelNumber = model; computeTraversalInfo(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp, tr->numBranches); if(tr->td[0].count > 1) { #ifdef _USE_PTHREADS masterBarrier(THREAD_NEWVIEW_PARTITION, tr); #else newviewIterativePartition(tr, lower, upper, model); #endif } } } ./arbsrc_9167/GDE/RAxML/optimizeModel.c0000644012664100000130000020267011213220010017433 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands * of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #endif #include #include #include #include #include #include #include "axml.h" static const double MNBRAK_GOLD = 1.618034; static const double MNBRAK_TINY = 1.e-20; static const double MNBRAK_GLIMIT = 100.0; static const double BRENT_ZEPS = 1.e-5; static const double BRENT_CGOLD = 0.3819660; extern int optimizeRatesInvocations; extern int optimizeRateCategoryInvocations; extern int optimizeAlphaInvocations; extern int optimizeInvarInvocations; extern double masterTime; extern char ratesFileName[1024]; extern char workdir[1024]; extern char run_id[128]; extern char lengthFileName[1024]; extern char lengthFileNameModel[1024]; #ifdef _USE_PTHREADS extern int rateCategoryJobs; #endif /*********************FUNCTIONS FOOR EXACT MODEL OPTIMIZATION UNDER GTRGAMMA ***************************************/ static double evaluateInvar(tree *tr, double invar, int model) { double result; tr->invariants[model] = invar; #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif result = evaluatePartitionGeneric(tr, tr->start, model); return result; } static int brakInvar(double *param, double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, double lim_inf, double lim_sup, tree *tr, int model) { double ulim,u,r,q,fu,dum; u = 0.0; *param = *ax; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fa = -evaluateInvar(tr, *param, model); *param = *bx; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fb = -evaluateInvar(tr, *param, model); if (*fb > *fa) { SHFT(dum,*ax,*bx,dum) SHFT(dum,*fb,*fa,dum) } *cx=(*bx)+MNBRAK_GOLD*(*bx-*ax); *param = *cx; if(*param > lim_sup) *param = *cx = lim_sup; if(*param < lim_inf) *param = *cx = lim_inf; *fc = -evaluateInvar(tr, *param, model); while (*fb > *fc) { if(*ax > lim_sup) *ax = lim_sup; if(*ax < lim_inf) *ax = lim_inf; if(*bx > lim_sup) *bx = lim_sup; if(*bx < lim_inf) *bx = lim_inf; if(*cx > lim_sup) *cx = lim_sup; if(*cx < lim_inf) *cx = lim_inf; r=(*bx-*ax)*(*fb-*fc); q=(*bx-*cx)*(*fb-*fa); u=(*bx)-((*bx-*cx)*q-(*bx-*ax)*r)/ (2.0*SIGN(MAX(fabs(q-r),MNBRAK_TINY),q-r)); ulim=(*bx)+MNBRAK_GLIMIT*(*cx-*bx); if(u > lim_sup) u = lim_sup; if(u < lim_inf) u = lim_inf; if(ulim > lim_sup) ulim = lim_sup; if(ulim < lim_inf) ulim = lim_inf; if ((*bx-u)*(u-*cx) > 0.0) { *param = u; fu = -evaluateInvar(tr, *param, model); if (fu < *fc) { *ax=(*bx); *bx=u; *fa=(*fb); *fb=fu; return(0); } else if (fu > *fb) { *cx=u; *fc=fu; return(0); } u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = u; if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu= -evaluateInvar(tr, *param, model); } else if ((*cx-u)*(u-ulim) > 0.0) { *param = u; fu = -evaluateInvar(tr, *param, model); if (fu < *fc) { SHFT(*bx,*cx,u,*cx+MNBRAK_GOLD*(*cx-*bx)) SHFT(*fb,*fc,fu, -evaluateInvar(tr, *param, model)) } } else if ((u-ulim)*(ulim-*cx) >= 0.0) { u = ulim; *param = u; fu = -evaluateInvar(tr, *param, model); } else { u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = u; if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu = -evaluateInvar(tr, *param, model); } SHFT(*ax,*bx,*cx,u) SHFT(*fa,*fb,*fc,fu) } return(0); } static double brentInvar(double ax, double bx, double cx, double fb, double tol, double *xmin, int model, tree *tr) { int iter; double a,b,d = 0,etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double e=0.0; a=((ax < cx) ? ax : cx); b=((ax > cx) ? ax : cx); x = w = v = bx; fw = fv = fx = fb; for(iter = 1; iter <= ITMAX; iter++) { xm = 0.5 * (a + b); tol2 = 2.0 * (tol1 = tol * fabs(x) + BRENT_ZEPS); if(fabs(x - xm) <= (tol2 - 0.5 * (b - a))) { *xmin = x; return -fx; } if(fabs(e) > tol1) { r = (x - w) * (fx - fv); q = (x - v) * (fx - fw); p = (x -v ) * q - (x - w) * r; q = 2.0 * (q - r); if(q > 0.0) p = -p; q = fabs(q); etemp = e; e = d; if((fabs(p) >= fabs(0.5 * q * etemp)) || (p <= q * (a-x)) || (p >= q * (b - x))) d = BRENT_CGOLD * (e = (x >= xm ? a - x : b - x)); else { d = p / q; u = x + d; if( u - a < tol2 || b - u < tol2) d = SIGN(tol1, xm - x); } } else { d = BRENT_CGOLD * (e = (x >= xm ? a - x: b - x)); } u = (fabs(d) >= tol1 ? x + d: x +SIGN(tol1, d)); fu = -evaluateInvar(tr, u, model); if(fu <= fx) { if(u >= x) a = x; else b = x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if(u < x) a = u; else b = u; if(fu <= fw || w == x) { v = w; w = u; fv = fw; fw = fu; } else { if(fu <= fv || v == x || v == w) { v = u; fv = fu; } } } } printf("\n. Too many iterations in BRENT !"); exit(-1); return(-1); } static void optInvar(tree *tr, analdef *adef, double modelEpsilon, int model) { double param, a, b, c, fa, fb, fc, x; double lim_inf = INVAR_MIN; double lim_sup = INVAR_MAX; double startLH; double startInvar = tr->invariants[model]; double endInvar; if(adef->useMultipleModel) startLH = evaluatePartitionGeneric(tr, tr->start, model); else startLH = tr->likelihood; a = tr->invariants[model] + 0.1; b = tr->invariants[model] - 0.1; if(b < lim_inf) b = lim_inf; brakInvar(¶m, &a, &b, &c, &fa, &fb, &fc, lim_inf, lim_sup, tr, model); endInvar = brentInvar(a, b, c, fb, modelEpsilon, &x, model, tr); if(startLH > endInvar) { tr->invariants[model] = startInvar; #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif evaluateInvar(tr, tr->invariants[model], model); } } /**********************************************************************************************************/ /* ALPHA PARAM ********************************************************************************************/ static double evaluateAlpha(tree *tr, double alpha, int model) { double result; tr->alphas[model] = alpha; makeGammaCats(model, tr->alphas, tr->gammaRates); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_GAMMA_RATES, tr); #endif result = evaluateGenericInitravPartition(tr, tr->start, model); return result; } static int brakAlpha(double *param, double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, double lim_inf, double lim_sup, tree *tr, int model) { double ulim,u,r,q,fu,dum; u = 0.0; *param = *ax; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fa = -evaluateAlpha(tr, *param, model); *param = *bx; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fb = -evaluateAlpha(tr, *param, model); if (*fb > *fa) { SHFT(dum,*ax,*bx,dum) SHFT(dum,*fb,*fa,dum) } *cx=(*bx)+MNBRAK_GOLD*(*bx-*ax); *param = *cx; if(*param > lim_sup) *param = *cx = lim_sup; if(*param < lim_inf) *param = *cx = lim_inf; *fc = -evaluateAlpha(tr, *param, model); while (*fb > *fc) { if(*ax > lim_sup) *ax = lim_sup; if(*ax < lim_inf) *ax = lim_inf; if(*bx > lim_sup) *bx = lim_sup; if(*bx < lim_inf) *bx = lim_inf; if(*cx > lim_sup) *cx = lim_sup; if(*cx < lim_inf) *cx = lim_inf; r=(*bx-*ax)*(*fb-*fc); q=(*bx-*cx)*(*fb-*fa); u=(*bx)-((*bx-*cx)*q-(*bx-*ax)*r)/ (2.0*SIGN(MAX(fabs(q-r),MNBRAK_TINY),q-r)); ulim=(*bx)+MNBRAK_GLIMIT*(*cx-*bx); if(u > lim_sup) u = lim_sup; if(u < lim_inf) u = lim_inf; if(ulim > lim_sup) ulim = lim_sup; if(ulim < lim_inf) ulim = lim_inf; if ((*bx-u)*(u-*cx) > 0.0) { *param = u; fu = -evaluateAlpha(tr, *param, model); if (fu < *fc) { *ax=(*bx); *bx=u; *fa=(*fb); *fb=fu; return(0); } else if (fu > *fb) { *cx=u; *fc=fu; return(0); } u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = u; if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu= -evaluateAlpha(tr, *param, model); } else if ((*cx-u)*(u-ulim) > 0.0) { *param = u; fu = -evaluateAlpha(tr, *param, model); if (fu < *fc) { SHFT(*bx,*cx,u,*cx+MNBRAK_GOLD*(*cx-*bx)) SHFT(*fb,*fc,fu, -evaluateAlpha(tr, *param, model)) } } else if ((u-ulim)*(ulim-*cx) >= 0.0) { u = ulim; *param = u; fu = -evaluateAlpha(tr, *param, model); } else { u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = u; if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu = -evaluateAlpha(tr, *param, model); } SHFT(*ax,*bx,*cx,u) SHFT(*fa,*fb,*fc,fu) } return(0); } static double brentAlpha(double ax, double bx, double cx, double fb, double tol, double *xmin, int model, tree *tr) { int iter; double a,b,d = 0,etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double e=0.0; a=((ax < cx) ? ax : cx); b=((ax > cx) ? ax : cx); x = w = v = bx; fw = fv = fx = fb; for(iter = 1; iter <= ITMAX; iter++) { xm = 0.5 * (a + b); tol2 = 2.0 * (tol1 = tol * fabs(x) + BRENT_ZEPS); if(fabs(x - xm) <= (tol2 - 0.5 * (b - a))) { *xmin = x; return -fx; } if(fabs(e) > tol1) { r = (x - w) * (fx - fv); q = (x - v) * (fx - fw); p = (x - v) * q - (x - w) * r; q = 2.0 * (q - r); if(q > 0.0) p = -p; q = fabs(q); etemp = e; e = d; if(fabs(p) >= fabs(0.5 * q * etemp) || p <= q * (a-x) || p >= q * (b - x)) { d = BRENT_CGOLD * (e = (x >= xm ? a - x : b - x)); } else { d = p / q; u = x + d; if( u - a < tol2 || b - u < tol2) d = SIGN(tol1, xm - x); } } else { d = BRENT_CGOLD * (e = (x >= xm ? a - x: b - x)); } u = (fabs(d) >= tol1 ? x + d: x + SIGN(tol1, d)); fu = -evaluateAlpha(tr, u, model); if(fu <= fx) { if(u >= x) a = x; else b = x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if(u < x) a = u; else b = u; if(fu <= fw || w == x) { v = w; w = u; fv = fw; fw = fu; } else { if(fu <= fv || v == x || v == w) { v = u; fv = fu; } } } } printf("\n. Too many iterations in BRENT !"); exit(-1); return(-1); } static void optAlpha(tree *tr, analdef *adef, double modelEpsilon, int model) { double param, a, b, c, fa, fb, fc, x; double lim_inf = ALPHA_MIN; double lim_sup = ALPHA_MAX; double startLH; double startAlpha = tr->alphas[model]; double endAlpha; if(adef->useMultipleModel) startLH = evaluateGenericInitravPartition(tr, tr->start, model); else startLH = tr->likelihood; a = tr->alphas[model] + 0.1; b = tr->alphas[model] - 0.1; if(b < lim_inf) b = lim_inf; brakAlpha(¶m, &a, &b, &c, &fa, &fb, &fc, lim_inf, lim_sup, tr, model); endAlpha = brentAlpha(a, b, c, fb, modelEpsilon, &x, model, tr); if(startLH > endAlpha) { tr->alphas[model] = startAlpha; evaluateAlpha(tr, tr->alphas[model], model); } } /*******************************************************************************************************************/ /*******************RATES ******************************************************************************************/ static void setRateModel(tree *tr, int model, double rate, int position) { int dataType; /*if(adef->model == M_PROTCAT || adef->model == M_PROTGAMMA) dataType = AA_DATA; else dataType = DNA_DATA;*/ /*dataType = tr->dataType[model]; */ dataType = tr->partitionData[model].dataType; switch(dataType) { case AA_DATA: assert(position >= 0 && position < AA_RATES); tr->initialRates_AA[model * AA_RATES + position] = rate; break; case DNA_DATA: assert(position >= 0 && position < DNA_RATES); tr->initialRates_DNA[model * DNA_RATES + position] = rate; break; default: assert(0); } } static double getRateModel(tree *tr, int model, int position) { int dataType; /*if(adef->model == M_PROTCAT || adef->model == M_PROTGAMMA) dataType = AA_DATA; else dataType = DNA_DATA;*/ /*dataType = tr->dataType[model];*/ dataType = tr->partitionData[model].dataType; switch(dataType) { case AA_DATA: assert(position >= 0 && position < AA_RATES); return tr->initialRates_AA[model * AA_RATES + position]; break; case DNA_DATA: assert(position >= 0 && position < DNA_RATES); return tr->initialRates_DNA[model * DNA_RATES + position]; break; default: assert(0); } } static double evaluateRate(tree *tr, int i, double rate, analdef *adef, int model) { double result; setRateModel(tr, model, rate, i); initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif result = evaluateGenericInitravPartition(tr, tr->start, model); return result; } static double brentRates(double ax, double bx, double cx, double fb, double tol, double *xmin, int model, tree *tr, analdef *adef, int i) { int iter; double a,b,d = 0.0, etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double e=0.0; a=((ax < cx) ? ax : cx); b=((ax > cx) ? ax : cx); x = w = v = bx; fw = fv = fx = fb; for(iter = 1; iter <= ITMAX; iter++) { xm = 0.5 * (a + b); tol2 = 2.0 * (tol1 = tol * fabs(x) + BRENT_ZEPS); if(fabs(x - xm) <= (tol2 - 0.5 * (b - a))) { *xmin = x; return -fx; } if(fabs(e) > tol1) { r = (x - w) * (fx - fv); q = (x - v) * (fx - fw); p = (x -v ) * q - (x - w) * r; q = 2.0 * (q - r); if(q > 0.0) p = -p; q = fabs(q); etemp = e; e = d; if((fabs(p) >= fabs(0.5 * q * etemp)) || (p <= q * (a-x)) || (p >= q * (b - x))) d = BRENT_CGOLD * (e = (x >= xm ? a - x : b - x)); else { d = p / q; u = x + d; if( u - a < tol2 || b - u < tol2) d = SIGN(tol1, xm - x); } } else { d = BRENT_CGOLD * (e = (x >= xm ? a - x: b - x)); } u = (fabs(d) >= tol1 ? x + d: x +SIGN(tol1, d)); fu = (-evaluateRate(tr, i, u, adef, model)); if(fu <= fx) { if(u >= x) a = x; else b = x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if(u < x) a = u; else b = u; if(fu <= fw || w == x) { v = w; w = u; fv = fw; fw = fu; } else { if(fu <= fv || v == x || v == w) { v = u; fv = fu; } } } } printf("\n. Too many iterations in BRENT !"); exit(-1); return(-1); } static int brakRates(double *param, double *ax, double *bx, double *cx, double *fa, double *fb, double *fc, double lim_inf, double lim_sup, tree *tr, int i, analdef *adef, int model) { double ulim,u,r,q,fu,dum; u = 0.0; *param = *ax; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fa = -evaluateRate(tr, i, *param, adef, model); *param = *bx; if(*param > lim_sup) *param = lim_sup; if(*param < lim_inf) *param = lim_inf; *fb = -evaluateRate(tr, i, *param, adef, model); if (*fb > *fa) { SHFT(dum,*ax,*bx,dum) SHFT(dum,*fa,*fb,dum) } *cx=(*bx)+MNBRAK_GOLD*(*bx-*ax); *param = *cx; if(*param > lim_sup) *param = *cx = lim_sup; if(*param < lim_inf) *param = *cx = lim_inf; *fc = -evaluateRate(tr, i, *param, adef, model); while (*fb > *fc) { if(*ax > lim_sup) *ax = lim_sup; if(*ax < lim_inf) *ax = lim_inf; if(*bx > lim_sup) *bx = lim_sup; if(*bx < lim_inf) *bx = lim_inf; if(*cx > lim_sup) *cx = lim_sup; if(*cx < lim_inf) *cx = lim_inf; r=(*bx-*ax)*(*fb-*fc); q=(*bx-*cx)*(*fb-*fa); u=(*bx)-((*bx-*cx)*q-(*bx-*ax)*r)/ (2.0*SIGN(MAX(fabs(q-r),MNBRAK_TINY),q-r)); ulim=(*bx)+MNBRAK_GLIMIT*(*cx-*bx); if(u > lim_sup) u = lim_sup; if(u < lim_inf) u = lim_inf; if(ulim > lim_sup) ulim = lim_sup; if(ulim < lim_inf) ulim = lim_inf; if ((*bx-u)*(u-*cx) > 0.0) { *param = u; fu = -evaluateRate(tr, i, *param, adef, model); if (fu < *fc) { *ax=(*bx); *bx=u; *fa=(*fb); *fb=fu; return(0); } else { if (fu > *fb) { *cx=u; *fc=fu; return(0); } } u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = u; if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu= -evaluateRate(tr, i, *param, adef, model); } else { if ((*cx-u)*(u-ulim) > 0.0) { *param = u; fu = -evaluateRate(tr, i, *param, adef, model); if (fu < *fc) { SHFT(*bx,*cx,u,*cx+MNBRAK_GOLD*(*cx-*bx)) SHFT(*fb,*fc,fu, -evaluateRate(tr, i, *param, adef, model)) } } else { if ((u-ulim)*(ulim-*cx) >= 0.0) { u = ulim; *param = u; fu = -evaluateRate(tr, i, *param, adef, model); } else { u=(*cx)+MNBRAK_GOLD*(*cx-*bx); *param = u; if(*param > lim_sup) {*param = u = lim_sup;} if(*param < lim_inf) {*param = u = lim_inf;} fu = -evaluateRate(tr, i, *param, adef, model); } } } SHFT(*ax,*bx,*cx,u) SHFT(*fa,*fb,*fc,fu) } return(0); } static double optRates(tree *tr, analdef *adef, double modelEpsilon, int model) { int i, dataType, numberOfRates; double param, a, b, c, fa, fb, fc, x; double lim_inf = RATE_MIN; double lim_sup = RATE_MAX; double *startRates, *initialRates; double startLH; double endLH = unlikely; /*dataType = tr->dataType[model];*/ dataType = tr->partitionData[model].dataType; switch(dataType) { case AA_DATA: assert(0); /* should not get here */ initialRates = tr->initialRates_AA; numberOfRates = AA_RATES; break; case DNA_DATA: initialRates = tr->initialRates_DNA; numberOfRates = DNA_RATES; break; default: assert(0); } startRates = (double *)malloc(sizeof(double) * numberOfRates); if(adef->useMultipleModel) startLH = evaluateGenericInitravPartition(tr, tr->start, model); else startLH = tr->likelihood; for(i = 0; i < numberOfRates; i++) startRates[i] = initialRates[model * numberOfRates + i]; for(i = 0; i < numberOfRates; i++) { a = initialRates[model * numberOfRates + i] + 0.1; b = initialRates[model * numberOfRates + i] - 0.1; if(a < lim_inf) a = lim_inf; if(a > lim_sup) a = lim_sup; if(b < lim_inf) b = lim_inf; if(b > lim_sup) b = lim_sup; brakRates(¶m, &a, &b, &c, &fa, &fb, &fc, lim_inf, lim_sup, tr, i, adef, model); endLH = brentRates(a, b, c, fb, modelEpsilon, &x, model, tr, adef, i); if(startLH > endLH) { initialRates[model * numberOfRates + i] = startRates[i]; initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif if(adef->useMultipleModel) startLH = evaluateGenericInitravPartition(tr, tr->start, model); else { evaluateGenericInitrav(tr, tr->start); startLH = tr->likelihood; } } else startLH = endLH; } free(startRates); return endLH; } /*****************************************************************************************************/ void resetBranches(tree *tr) { nodeptr p, q; int nodes, i; nodes = tr->mxtips + 3 * (tr->mxtips - 2); p = tr->nodep[1]; while (nodes-- > 0) { for(i = 0; i < tr->numBranches; i++) p->z[i] = defaultz; q = p->next; while(q != p) { for(i = 0; i < tr->numBranches; i++) q->z[i] = defaultz; q = q->next; } p++; } } /* static void cacheZs(tree *tr, double *zs) { nodeptr p; int nodes, i; nodes = tr->mxtips + 3 * (tr->mxtips - 2); p = tr->nodep[1]; while (nodes-- > 0) { for(i = 0; i < tr->numBranches; i++) zs[nodes * tr->numBranches + i] = p->z[i]; p++; } } static void restoreZs(tree *tr, double *zs) { nodeptr p; int nodes, i; nodes = tr->mxtips + 3 * (tr->mxtips - 2); p = tr->nodep[1]; while (nodes-- > 0) { for(i = 0; i < tr->numBranches; i++) { p->z[i] = zs[nodes * tr->numBranches + i]; p->back->z[i] = zs[nodes * tr->numBranches + i]; } p++; } }*/ void modOpt(tree *tr, analdef *adef) { double currentLikelihood; int i; double modelEpsilon = MODEL_EPSILON; int model; assert(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I); for(model = 0; model < tr->NumberOfModels; model++) { for(i = 0; i < DNA_RATES; i++) tr->initialRates_DNA[model * DNA_RATES + i] = 0.5; for(i = 0; i < AA_RATES; i++) tr->initialRates_AA[model * AA_RATES + i] = 0.5; if(adef->useInvariant) { int lower, upper; int count = 0; int total = 0; lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; for(i = lower; i < upper; i++) { if(tr->invariant[i] < 4) count += tr->cdta->aliaswgt[i]; total += tr->cdta->aliaswgt[i]; } tr->invariants[model] = ((double)count)/((double) total); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif } tr->alphas[model] = 1.0; initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif makeGammaCats(model, tr->alphas, tr->gammaRates); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_GAMMA_RATES, tr); #endif } resetBranches(tr); if(adef->mode != MEHRING_ALGO && !adef->rapidML_Addition) tr->start = tr->nodep[1]; /* no need for individual models here, just an init on params equal for all partitions*/ evaluateGenericInitrav(tr, tr->start); /*printf("1 %f\n", tr->likelihood);*/ treeEvaluate(tr, 1.0); #ifdef _DEBUG_AA printf("I %f\n", tr->likelihood); #endif /*printf("2 %f\n", tr->likelihood); */ do { currentLikelihood = tr->likelihood; for(model = 0; model < tr->NumberOfModels; model++) { switch(tr->partitionData[model].dataType) { case AA_DATA: break; case DNA_DATA: optRates(tr, adef, modelEpsilon, model); break; default: assert(0); } } for(model = 0; model < tr->NumberOfModels; model++) optAlpha(tr, adef, modelEpsilon, model); if(adef->useInvariant) { /* Need to execute initrav() here because it is not executed by evalInvar */ onlyInitrav(tr, tr->start); for(model = 0; model < tr->NumberOfModels; model++) { optInvar(tr, adef, modelEpsilon, model); } } onlyInitrav(tr, tr->start); /* printf("4 %f\n", tr->likelihood); */ treeEvaluate(tr, 0.25); /* printf("5 %f\n", tr->likelihood); */ #ifdef _DEBUG_AA printf("O %f\n", tr->likelihood); #endif modelEpsilon /= 10.0; if(modelEpsilon < LIKELIHOOD_EPSILON) modelEpsilon = LIKELIHOOD_EPSILON; } while(fabs(currentLikelihood - tr->likelihood) > adef->likelihoodEpsilon); } static void modOptSpecial(tree *tr, analdef *adef) { double currentLikelihood; int i; double modelEpsilon = MODEL_EPSILON; int model; /* TODO-LOCAL, not sure that this works */ /* TODO add inits for CAT here just to be safe */ for(model = 0; model < tr->NumberOfModels; model++) { for(i = 0; i < DNA_RATES; i++) tr->initialRates_DNA[model * DNA_RATES + i] = 0.5; for(i = 0; i < AA_RATES; i++) tr->initialRates_AA[model * AA_RATES + i] = 0.5; if(adef->useInvariant) { int lower, upper; int count = 0; int total = 0; /* TODO-MIX simplify */ if(tr->NumberOfModels == 1) { lower = 0; upper = tr->cdta->endsite; } else { /*lower = tr->modelIndices[model][0]; upper = tr->modelIndices[model][1];*/ lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; } for(i = lower; i < upper; i++) { if(tr->invariant[i] < 4) count += tr->cdta->aliaswgt[i]; total += tr->cdta->aliaswgt[i]; } tr->invariants[model] = ((double)count)/((double) total); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif } tr->alphas[model] = 1.0; initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif makeGammaCats(model, tr->alphas, tr->gammaRates); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_GAMMA_RATES, tr); #endif } resetBranches(tr); tr->start = tr->nodep[1]; /* no need for individual models here, just an init on params equal for all partitions*/ evaluateGenericInitrav(tr, tr->start); /*printf("INIT %1.20f\n", tr->likelihood);*/ treeEvaluate(tr, 1.0); /* printf("TREE EVAL %1.20f\n", tr->likelihood); */ do { currentLikelihood = tr->likelihood; if(adef->model == M_GTRGAMMA) { for(model = 0; model < tr->NumberOfModels; model++) optRates(tr, adef, modelEpsilon, model); for(model = 0; model < tr->NumberOfModels; model++) optAlpha(tr, adef, modelEpsilon, model); if(adef->useInvariant) { /* Need to execute initrav() here because it is not executed by evalInvar */ onlyInitrav(tr, tr->start); for(model = 0; model < tr->NumberOfModels; model++) { optInvar(tr, adef, modelEpsilon, model); } } } else { if(adef->model == M_PROTGAMMA) { if(adef->proteinMatrix == GTR) { for(model = 0; model < tr->NumberOfModels; model++) optRates(tr, adef, modelEpsilon, model); } for(model = 0; model < tr->NumberOfModels; model++) { optAlpha(tr, adef, modelEpsilon, model); /*printf("ALPHA[%d] %f", model, tr->likelihood);*/ } if(adef->useInvariant) { /* Need to execute initrav() here because it is not executed by evalInvar */ onlyInitrav(tr, tr->start); for(model = 0; model < tr->NumberOfModels; model++) { optInvar(tr, adef, modelEpsilon, model); } } } else { assert(adef->model == M_GTRCAT || adef->model == M_PROTCAT); if((adef->model == M_PROTCAT && adef->proteinMatrix == GTR) || adef->model == M_GTRCAT) { for(model = 0; model < tr->NumberOfModels; model++) optRates(tr, adef, modelEpsilon, model); } optimizeAllRateCategories(tr); } } onlyInitrav(tr, tr->start); treeEvaluate(tr, 0.25); /*printf("ModOPT: %1.20f\n", tr->likelihood);*/ modelEpsilon /= 10.0; if(modelEpsilon < LIKELIHOOD_EPSILON) modelEpsilon = LIKELIHOOD_EPSILON; } while(fabs(currentLikelihood - tr->likelihood) > adef->likelihoodEpsilon); } void modOptModel(tree *tr, analdef *adef, int model) { double currentLikelihood, globalLikelihood; int i; double modelEpsilon = MODEL_EPSILON; /* TODO-MIX, not sure that this works here */ resetBranches(tr); for(i = 0; i < DNA_RATES; i++) tr->initialRates_DNA[model * DNA_RATES + i] = 0.5; for(i = 0; i < AA_RATES; i++) tr->initialRates_AA[model * AA_RATES + i] = 0.5; if(adef->useInvariant) { int lower, upper; int count = 0; int total = 0; lower = tr->partitionData[model].lower; upper = tr->partitionData[model].upper; for(i = lower; i < upper; i++) { if(tr->invariant[i] < 4) count += tr->cdta->aliaswgt[i]; total += tr->cdta->aliaswgt[i]; } tr->invariants[model] = ((double)count)/((double) total); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif } tr->alphas[model] = 1.0; initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif makeGammaCats(model, tr->alphas, tr->gammaRates); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_GAMMA_RATES, tr); #endif tr->start = tr->nodep[1]; evaluateGenericInitravPartition(tr, tr->start, model); treeEvaluatePartition(tr, 1.0, model); /*printf("Partition %d likelihood %f\n", model, tr->likelihood); */ globalLikelihood = tr->likelihood; do { currentLikelihood = globalLikelihood; globalLikelihood = 0; evaluateGenericInitravPartition(tr, tr->start, model); if(adef->model == M_GTRGAMMA) { optRates(tr, adef, modelEpsilon, model); optAlpha(tr, adef, modelEpsilon, model); if(adef->useInvariant) { initravPartition(tr, tr->start, model); initravPartition(tr, tr->start->back, model); optInvar(tr, adef, modelEpsilon, model); } } else { if(adef->model == M_PROTGAMMA) { if(adef->proteinMatrix == GTR) optRates(tr, adef, modelEpsilon, model); optAlpha(tr, adef, modelEpsilon, model); if(adef->useInvariant) { initravPartition(tr, tr->start, model); initravPartition(tr, tr->start->back, model); optInvar(tr, adef, modelEpsilon, model); } } else { /* don't remove this, it's for testing ! if(adef->model == M_GTRCAT) { for(model = 0; model < tr->NumberOfModels; model++) optRates(tr, adef, modelEpsilon, model); } */ assert(0); } } initravPartition(tr, tr->start, model); initravPartition(tr, tr->start->back, model); treeEvaluatePartition(tr, 0.25, model); globalLikelihood = tr->likelihood; /*printf("AFTER ALL OPT %f -> %f\n", currentLikelihood, globalLikelihood);*/ modelEpsilon /= 10.0; if(modelEpsilon < LIKELIHOOD_EPSILON) modelEpsilon = LIKELIHOOD_EPSILON; } while(fabs(currentLikelihood - globalLikelihood) > adef->likelihoodEpsilon); } /*********************FUNCTIONS FOOR EXACT MODEL OPTIMIZATION UNDER GTRGAMMA ***************************************/ /*********************FUNCTIONS FOR APPROXIMATE MODEL OPTIMIZATION ***************************************/ static void optimizeAlphaMULT(tree *tr, int model, analdef *adef) { int k; double currentTT, startLikelihood, maxLikelihoodMinus, maxLikelihoodPlus, maxTTPlus, maxTTMinus, spacing, tree_likelihood; boolean finish = FALSE; spacing = 0.5/((double)optimizeAlphaInvocations); currentTT = tr->alphas[model]; /* TODO-MIX this might be an initrav too much in the single model case */ tree_likelihood = evaluateGenericInitravPartition(tr, tr->start, model); maxTTPlus = currentTT; maxTTMinus = currentTT; startLikelihood = tree_likelihood; maxLikelihoodMinus = tree_likelihood; maxLikelihoodPlus = tree_likelihood; k = 1; while(!finish && ((currentTT - spacing * k) > ALPHA_MIN)) { tree_likelihood = evaluateAlpha(tr, currentTT - spacing * k, model); if(tree_likelihood > maxLikelihoodMinus) { finish = (fabs(tree_likelihood - maxLikelihoodMinus) < adef->likelihoodEpsilon); maxLikelihoodMinus = tree_likelihood; maxTTMinus = currentTT - spacing * k; } else finish = TRUE; k++; } finish = FALSE; k = 1; tree_likelihood = startLikelihood; while(!finish && ((currentTT + spacing * k) < ALPHA_MAX)) { tree_likelihood = evaluateAlpha(tr, currentTT + spacing * k, model); if(tree_likelihood > maxLikelihoodPlus) { finish = (fabs(tree_likelihood - maxLikelihoodPlus) < adef->likelihoodEpsilon); maxLikelihoodPlus = tree_likelihood; maxTTPlus = currentTT + spacing * k; } else finish = TRUE; k++; } if(maxLikelihoodPlus > startLikelihood || maxLikelihoodMinus > startLikelihood) { if(maxLikelihoodPlus > maxLikelihoodMinus) tr->alphas[model] = maxTTPlus; else tr->alphas[model] = maxTTMinus; makeGammaCats(model, tr->alphas, tr->gammaRates); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_GAMMA_RATES, tr); #endif } else { tr->alphas[model] = currentTT; makeGammaCats(model, tr->alphas, tr->gammaRates); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_GAMMA_RATES, tr); #endif } } static double alterRatesMULT(tree *tr, int k, analdef *adef, int model) { int i; double granularity = 0.1/((double)optimizeRatesInvocations); double bestLikelihood, maxLikelihoodMinus, maxLikelihoodPlus, treeLikelihood, originalRate, maxRateMinus, maxRatePlus; boolean finish = FALSE; treeLikelihood = evaluateGenericInitravPartition(tr, tr->start, model); bestLikelihood = treeLikelihood; maxLikelihoodMinus = treeLikelihood; maxLikelihoodPlus = treeLikelihood; i = 1; originalRate = getRateModel(tr, model, k); maxRateMinus = maxRatePlus = originalRate; while(!finish && ((originalRate - granularity * i) > RATE_MIN)) { treeLikelihood = evaluateRate(tr, k, originalRate - granularity * i, adef, model); if(treeLikelihood > maxLikelihoodMinus) { finish = (fabs(treeLikelihood - maxLikelihoodMinus) < adef->likelihoodEpsilon); maxLikelihoodMinus = treeLikelihood; maxRateMinus = originalRate - granularity * i; } else finish = TRUE; i++; } i = 1; treeLikelihood = bestLikelihood; setRateModel(tr, model, originalRate, k); finish = FALSE; while(!finish && ((originalRate + i * granularity) < RATE_MAX)) { treeLikelihood = evaluateRate(tr, k, originalRate + granularity * i, adef, model); if(treeLikelihood > maxLikelihoodPlus) { finish = (fabs(treeLikelihood - maxLikelihoodPlus) < adef->likelihoodEpsilon); maxLikelihoodPlus = treeLikelihood; maxRatePlus = originalRate + granularity * i; } else finish = TRUE; i++; } if(maxLikelihoodPlus > bestLikelihood || maxLikelihoodMinus > bestLikelihood) { if(maxLikelihoodPlus > maxLikelihoodMinus) { setRateModel(tr, model, maxRatePlus, k); initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif return maxLikelihoodPlus; } else { setRateModel(tr, model, maxRateMinus, k); initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif return maxLikelihoodMinus; } } else { setRateModel(tr, model, originalRate, k); initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif return bestLikelihood; } } static void optimizeRates(tree *tr, analdef *adef) { int i, model, numberOfRates; for(model = 0; model < tr->NumberOfModels; model++) { switch(tr->partitionData[model].dataType) { case AA_DATA: /* numberOfRates = AA_RATES; */ /* no rate opt for AA TODO-MIX remove GTR for prots!*/ /* for(i = 0; i < numberOfRates; i++) alterRatesMULT(tr, i, adef, model); */ break; case DNA_DATA: numberOfRates = DNA_RATES; for(i = 0; i < numberOfRates; i++) alterRatesMULT(tr, i, adef, model); break; default: assert(0); } } evaluateGenericInitrav(tr, tr->start); optimizeRatesInvocations++; } static int catCompare(const void *p1, const void *p2) { rateCategorize *rc1 = (rateCategorize *)p1; rateCategorize *rc2 = (rateCategorize *)p2; double i = rc1->accumulatedSiteLikelihood; double j = rc2->accumulatedSiteLikelihood; if (i > j) return (1); if (i < j) return (-1); return (0); } static void categorize(tree *tr, rateCategorize *rc) { int i, k, found; double temp, diff, min; for (i = 0; i < tr->cdta->endsite; i++) { temp = tr->cdta->patrat[i]; found = 0; for(k = 0; k < tr->NumberOfCategories; k++) { if(temp == rc[k].rate || (fabs(temp - rc[k].rate) < 0.001)) { found = 1; tr->cdta->rateCategory[i] = k; break; } } if(!found) { min = fabs(temp - rc[0].rate); tr->cdta->rateCategory[i] = 0; for(k = 1; k < tr->NumberOfCategories; k++) { diff = fabs(temp - rc[k].rate); if(diff < min) { min = diff; tr->cdta->rateCategory[i] = k; } } } } for(k = 0; k < tr->NumberOfCategories; k++) tr->cdta->patrat[k] = rc[k].rate; } void optRateCat(tree *tr, int i, double lower_spacing, double upper_spacing, double *lhs) { double initialRate, initialLikelihood, leftLH, rightLH, leftRate, rightRate, v; const double epsilon = 0.00001; int k; tr->cdta->patrat[i] = tr->cdta->patratStored[i]; initialRate = tr->cdta->patrat[i]; initialLikelihood = evaluatePartialGeneric(tr, i, initialRate); leftLH = rightLH = initialLikelihood; leftRate = rightRate = initialRate; k = 1; while((initialRate - k * lower_spacing > 0.0001) && ((v = evaluatePartialGeneric(tr, i, initialRate - k * lower_spacing)) > leftLH) && (fabs(leftLH - v) > epsilon)) { #ifndef WIN32 if(isnan(v)) assert(0); #endif leftLH = v; leftRate = initialRate - k * lower_spacing; k++; } k = 1; while(((v = evaluatePartialGeneric(tr, i, initialRate + k * upper_spacing)) > rightLH) && (fabs(rightLH - v) > epsilon)) { #ifndef WIN32 if(isnan(v)) assert(0); #endif rightLH = v; rightRate = initialRate + k * upper_spacing; k++; } if(rightLH > initialLikelihood || leftLH > initialLikelihood) { if(rightLH > leftLH) { tr->cdta->patrat[i] = rightRate; lhs[i] = rightLH; } else { tr->cdta->patrat[i] = leftRate; lhs[i] = leftLH; } } else lhs[i] = initialLikelihood; tr->cdta->patratStored[i] = tr->cdta->patrat[i]; } #ifdef _LOCAL_DATA void optRateCat_LOCAL(tree *localTree, int lower, int upper, double lower_spacing, double upper_spacing, double *lhs) { double initialRate, initialLikelihood, leftLH, rightLH, leftRate, rightRate, v; const double epsilon = 0.00001; int k, i; /* double sum = 0.0; */ for(i = lower; i < upper; i++) { localTree->strided_patrat[i] = localTree->strided_patratStored[i]; initialRate = localTree->strided_patrat[i]; initialLikelihood = evaluatePartialGeneric(localTree, i, initialRate); leftLH = rightLH = initialLikelihood; leftRate = rightRate = initialRate; k = 1; while((initialRate - k * lower_spacing > 0.0001) && ((v = evaluatePartialGeneric(localTree, i, initialRate - k * lower_spacing)) > leftLH) && (fabs(leftLH - v) > epsilon)) { #ifndef WIN32 if(isnan(v)) assert(0); #endif leftLH = v; leftRate = initialRate - k * lower_spacing; k++; } k = 1; while(((v = evaluatePartialGeneric(localTree, i, initialRate + k * upper_spacing)) > rightLH) && (fabs(rightLH - v) > epsilon)) { #ifndef WIN32 if(isnan(v)) assert(0); #endif rightLH = v; rightRate = initialRate + k * upper_spacing; k++; } if(rightLH > initialLikelihood || leftLH > initialLikelihood) { if(rightLH > leftLH) { localTree->strided_patrat[i] = rightRate; lhs[i] = rightLH; } else { localTree->strided_patrat[i] = leftRate; lhs[i] = leftLH; } } else lhs[i] = initialLikelihood; /* sum += lhs[i]; */ localTree->strided_patratStored[i] = localTree->strided_patrat[i]; } /* printf("%f \n", sum); */ } #endif void optimizeRateCategories(tree *tr, int _maxCategories) { int i, k; double temp, wtemp; double lower_spacing, upper_spacing; int maxCategories = _maxCategories; double initialLH = tr->likelihood; double *oldRat = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *ratStored = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *oldwr = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *oldwr2 = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *lhs = (double *)malloc(sizeof(double) * tr->cdta->endsite); int *oldCategory = (int *)malloc(sizeof(int) * tr->cdta->endsite); int oldNumber; assert(isTip(tr->start->number, tr->rdta->numsp)); determineFullTraversal(tr->start, tr); if(optimizeRateCategoryInvocations == 1) { lower_spacing = 0.5 / ((double)optimizeRateCategoryInvocations); upper_spacing = 1.0 / ((double)optimizeRateCategoryInvocations); } else { lower_spacing = 0.05 / ((double)optimizeRateCategoryInvocations); upper_spacing = 0.1 / ((double)optimizeRateCategoryInvocations); } if(lower_spacing < 0.001) lower_spacing = 0.001; if(upper_spacing < 0.001) upper_spacing = 0.001; optimizeRateCategoryInvocations++; oldNumber = tr->NumberOfCategories; for(i = 0; i < tr->cdta->endsite; i++) { oldCategory[i] = tr->cdta->rateCategory[i]; ratStored[i] = tr->cdta->patratStored[i]; oldRat[i] = tr->cdta->patrat[i]; oldwr[i] = tr->cdta->wr[i]; oldwr2[i] = tr->cdta->wr2[i]; } #ifdef _USE_PTHREADS tr->lhs = lhs; tr->lower_spacing = lower_spacing; tr->upper_spacing = upper_spacing; masterBarrier(THREAD_RATE_CATS, tr); #else for(i = 0; i < tr->cdta->endsite; i++) optRateCat(tr, i, lower_spacing, upper_spacing, lhs); #endif /* { double sum = 0.0; for (i = 0; i < tr->cdta->endsite; i++) { printf("%d %f %f %f\n", i, lhs[i], tr->cdta->patrat[i], tr->cdta->patratStored[i]); sum += lhs[i]; } printf("LH %f\n", sum); }*/ { rateCategorize *rc = (rateCategorize *)malloc(sizeof(rateCategorize) * tr->cdta->endsite); int where; int found = 0; for (i = 0; i < tr->cdta->endsite; i++) { rc[i].accumulatedSiteLikelihood = 0; rc[i].rate = 0; } where = 1; rc[0].accumulatedSiteLikelihood = lhs[0]; rc[0].rate = tr->cdta->patrat[0]; tr->cdta->rateCategory[0] = 0; for (i = 1; i < tr->cdta->endsite; i++) { temp = tr->cdta->patrat[i]; found = 0; for(k = 0; k < where; k++) { if(temp == rc[k].rate || (fabs(temp - rc[k].rate) < 0.001)) { found = 1; rc[k].accumulatedSiteLikelihood += lhs[i]; break; } } if(!found) { rc[where].rate = temp; rc[where].accumulatedSiteLikelihood += lhs[i]; where++; } } qsort(rc, where, sizeof(rateCategorize), catCompare); if(where < maxCategories) { tr->NumberOfCategories = where; categorize(tr, rc); } else { tr->NumberOfCategories = maxCategories; categorize(tr, rc); } free(rc); for (i = 0; i < tr->cdta->endsite; i++) { temp = tr->cdta->patrat[tr->cdta->rateCategory[i]]; tr->cdta->wr[i] = wtemp = temp * tr->cdta->aliaswgt[i]; tr->cdta->wr2[i] = temp * wtemp; } #ifdef _LOCAL_DATA /* TODO this could actually be merged with evaluateGenericInitrav */ /* will help to reduce sync points */ /* same holds for many other model opt procedures of type change model param and then execute initrav */ masterBarrier(THREAD_COPY_RATE_CATS, tr); #endif evaluateGenericInitrav(tr, tr->start); /* printf("%f\n", tr->likelihood); */ if(tr->likelihood < initialLH) { tr->NumberOfCategories = oldNumber; for (i = 0; i < tr->cdta->endsite; i++) { tr->cdta->patratStored[i] = ratStored[i]; tr->cdta->rateCategory[i] = oldCategory[i]; tr->cdta->patrat[i] = oldRat[i]; tr->cdta->wr[i] = oldwr[i]; tr->cdta->wr2[i] = oldwr2[i]; } #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_RATE_CATS, tr); #endif evaluateGenericInitrav(tr, tr->start); } } free(oldCategory); free(oldRat); free(ratStored); free(oldwr); free(oldwr2); free(lhs); } static void optimizeAlphas(tree *tr, analdef *adef) { int model; for(model = 0; model < tr->NumberOfModels; model++) optimizeAlphaMULT(tr, model, adef); evaluateGenericInitrav(tr, tr->start); optimizeAlphaInvocations++; } static void optimizeInvariantMULT(tree *tr, int model, analdef *adef) { int k; double currentTT, startLikelihood, maxLikelihoodMinus, maxLikelihoodPlus, maxTTPlus, maxTTMinus, spacing, tree_likelihood; boolean finish = FALSE; spacing = 0.1/((double)optimizeInvarInvocations); currentTT = tr->invariants[model]; tree_likelihood = evaluatePartitionGeneric(tr, tr->start, model); maxTTPlus = currentTT; maxTTMinus = currentTT; startLikelihood = tree_likelihood; maxLikelihoodMinus = tree_likelihood; maxLikelihoodPlus = tree_likelihood; k = 1; while(!finish && ((currentTT - spacing * k) > INVAR_MIN)) { tree_likelihood = evaluateInvar(tr, currentTT - spacing * k, model); if(tree_likelihood > maxLikelihoodMinus) { finish = (fabs(tree_likelihood - maxLikelihoodMinus) < adef->likelihoodEpsilon); maxLikelihoodMinus = tree_likelihood; maxTTMinus = currentTT - spacing * k; } else finish = TRUE; k++; } finish = FALSE; k = 1; tree_likelihood = startLikelihood; while(!finish && ((currentTT + spacing * k) < INVAR_MAX)) { tree_likelihood = evaluateInvar(tr, currentTT + spacing * k, model); if(tree_likelihood > maxLikelihoodPlus) { finish = (fabs(tree_likelihood - maxLikelihoodPlus) < adef->likelihoodEpsilon); maxLikelihoodPlus = tree_likelihood; maxTTPlus = currentTT + spacing * k; } else finish = TRUE; k++; } if(maxLikelihoodPlus > startLikelihood || maxLikelihoodMinus > startLikelihood) { if(maxLikelihoodPlus > maxLikelihoodMinus) tr->invariants[model] = maxTTPlus; else tr->invariants[model] = maxTTMinus; #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif } else { tr->invariants[model] = currentTT; #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_INVARIANTS ,tr); #endif } } static void optimizeInvariants(tree *tr, analdef *adef) { int model; /* Don't need full tree traversal for invar ! just do it once at this point*/ onlyInitrav(tr, tr->start); for(model = 0; model < tr->NumberOfModels; model++) { optimizeInvariantMULT(tr, model, adef); } evaluateGeneric(tr, tr->start); optimizeInvarInvocations++; } /*static void rateCategorizeExpectation(tree *tr, double *vector, int n) { int i, j; double e; double allSum; for(j = 0; j < 4; j++) printf("Rate %d %f\n", j, tr->gammaRates[j]); printf("\n"); for(i = 0; i < n; i++) { allSum = 0.25 * (vector[i * 4] + vector[i * 4 + 1] + vector[i * 4 + 2] + vector[i * 4 + 3]); e = 0.0; for(j = 0; j < 4; j++) e += (tr->gammaRates[j] * ((0.25 * vector[i * 4 + j]) / allSum)); printf("Site %d E %f\n", i, e); } }*/ void quickAndDirtyOptimization(tree *tr, analdef *adef) { int oldInv; double initialLH; /* printf("ENTER %1.80f\n", tr->likelihood); */ /* TODO-MIX for AA data only there is one useless call to initrav from within optimizeRates */ oldInv = optimizeRatesInvocations; if(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { do { initialLH = tr->likelihood; optimizeRates(tr, adef); } while((fabs(tr->likelihood - initialLH) > adef->likelihoodEpsilon) && optimizeRatesInvocations < oldInv + 10); } else { /* TODO-MIX this is extremely ugly, for the time being just for backward compatibility */ do { initialLH = tr->likelihood; optimizeRates(tr, adef); } while(tr->likelihood > initialLH && optimizeRatesInvocations < oldInv + 10); } /* printf("ONE %f \n", tr->likelihood); */ if(tr->rateHetModel == GAMMA || tr->rateHetModel == GAMMA_I) { oldInv = optimizeAlphaInvocations; do { initialLH = tr->likelihood; optimizeAlphas(tr, adef); } while((fabs(tr->likelihood - initialLH) > adef->likelihoodEpsilon) && optimizeAlphaInvocations < oldInv + 10); } /* printf("%f \n", tr->likelihood); */ if(tr->rateHetModel == GAMMA_I) { oldInv = optimizeInvarInvocations; do { initialLH = tr->likelihood; optimizeInvariants(tr, adef); } while((fabs(tr->likelihood - initialLH) > adef->likelihoodEpsilon) && optimizeInvarInvocations < oldInv + 10); } /* printf("%f \n", tr->likelihood); */ if(tr->rateHetModel == CAT) optimizeRateCategories(tr, adef->categories); /* printf("EXIT %1.80f\n", tr->likelihood);*/ } int optimizeModel (tree *tr, analdef *adef) { double startLH = tr->likelihood; if(!adef->categorizeGamma) { quickAndDirtyOptimization(tr, adef); } else { if(tr->mixedData) { assert(0); } else { switch(adef->model) { case M_PROTCAT: case M_GTRCAT: { int j; double catLikelihood; int *catVector = (int *)malloc(sizeof(int) * tr->cdta->endsite); double *wr = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *wr2 = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *patrat = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *initialRates_DNA = (double *)malloc(tr->NumberOfModels * DNA_RATES * sizeof(double)); double *initialRates_AA = (double *)malloc(tr->NumberOfModels * AA_RATES * sizeof(double)); memcpy(catVector, tr->cdta->rateCategory, sizeof(int) * tr->cdta->endsite); memcpy(initialRates_DNA, tr->initialRates_DNA, tr->NumberOfModels * DNA_RATES * sizeof(double)); memcpy(initialRates_AA, tr->initialRates_AA, tr->NumberOfModels * AA_RATES * sizeof(double)); memcpy(wr, tr->cdta->wr, sizeof(double) * tr->cdta->endsite); memcpy(wr2, tr->cdta->wr2, sizeof(double) * tr->cdta->endsite); memcpy(patrat, tr->cdta->patrat, sizeof(double) * tr->cdta->endsite); catLikelihood = tr->likelihood; catToGamma(tr, adef); for(j = 0; j < tr->cdta->endsite; j++) tr->cdta->wr[j] = tr->cdta->aliaswgt[j]; evaluateGenericInitrav(tr, tr->start); /*printf("GAMMA-ENTRY %f\n", tr->likelihood);*/ quickAndDirtyOptimization(tr, adef); /*printf("GAMMA exit %f\n", tr->likelihood);*/ categorizeGeneric(tr, tr->start); gammaToCat(tr, adef); evaluateGenericInitrav(tr, tr->start); /*printf("CAT exit %f\n", tr->likelihood);*/ if(catLikelihood > tr->likelihood) { int model; /*printf("Need roll-back Rates + CATs %f %f !\n", catLikelihood, tr->likelihood);*/ memcpy(tr->cdta->rateCategory, catVector, sizeof(int) * tr->cdta->endsite); memcpy(tr->initialRates_DNA, initialRates_DNA, tr->NumberOfModels * DNA_RATES * sizeof(double)); memcpy(tr->initialRates_AA, initialRates_AA, tr->NumberOfModels * AA_RATES * sizeof(double)); memcpy(tr->cdta->wr, wr, sizeof(double) * tr->cdta->endsite); memcpy(tr->cdta->wr2,wr2, sizeof(double) * tr->cdta->endsite); memcpy(tr->cdta->patrat, patrat, sizeof(double) * tr->cdta->endsite); for(model = 0; model < tr->NumberOfModels; model++) initReversibleGTR(tr, adef, model); #ifdef _LOCAL_DATA masterBarrier(THREAD_COPY_REVERSIBLE, tr); #endif evaluateGenericInitrav(tr, tr->start); /*printf("Roll Back %f\n", tr->likelihood);*/ } free(catVector); free(initialRates_DNA); free(initialRates_AA); free(wr); free(wr2); free(patrat); } break; default: assert(0); } } } if(optimizeRatesInvocations > 90) optimizeRatesInvocations = 90; if(optimizeRateCategoryInvocations > 90) optimizeRateCategoryInvocations = 90; if(optimizeAlphaInvocations > 90) optimizeAlphaInvocations = 90; if(optimizeInvarInvocations > 90) optimizeInvarInvocations = 90; if(startLH > tr->likelihood) return 0; else return 1; } void optimizeAllRateCategories(tree *tr) { int i; double temp, wtemp; double lower_spacing, upper_spacing; double initialLH = tr->likelihood; double *oldRat = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *ratStored = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *oldwr = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *oldwr2 = (double *)malloc(sizeof(double) * tr->cdta->endsite); double *lhs = (double *)malloc(sizeof(double) * tr->cdta->endsite); int *oldCategory = (int *)malloc(sizeof(int) * tr->cdta->endsite); int oldNumber; assert(isTip(tr->start->number, tr->rdta->numsp)); determineFullTraversal(tr->start, tr); if(optimizeRateCategoryInvocations == 1) { lower_spacing = 0.5 / ((double)optimizeRateCategoryInvocations); upper_spacing = 1.0 / ((double)optimizeRateCategoryInvocations); } else { lower_spacing = 0.05 / ((double)optimizeRateCategoryInvocations); upper_spacing = 0.1 / ((double)optimizeRateCategoryInvocations); } if(lower_spacing < 0.001) lower_spacing = 0.001; if(upper_spacing < 0.001) upper_spacing = 0.001; optimizeRateCategoryInvocations++; oldNumber = tr->NumberOfCategories; for(i = 0; i < tr->cdta->endsite; i++) { oldCategory[i] = tr->cdta->rateCategory[i]; ratStored[i] = tr->cdta->patratStored[i]; oldRat[i] = tr->cdta->patrat[i]; oldwr[i] = tr->cdta->wr[i]; oldwr2[i] = tr->cdta->wr2[i]; } #ifdef _USE_PTHREADS tr->lhs = lhs; tr->lower_spacing = lower_spacing; tr->upper_spacing = upper_spacing; masterBarrier(THREAD_RATE_CATS, tr); #else for(i = 0; i < tr->cdta->endsite; i++) optRateCat(tr, i, lower_spacing, upper_spacing, lhs); #endif tr->NumberOfCategories = tr->cdta->endsite; for (i = 0; i < tr->cdta->endsite; i++) { temp = tr->cdta->patrat[i]; tr->cdta->rateCategory[i] = i; tr->cdta->wr[i] = wtemp = temp * tr->cdta->aliaswgt[i]; tr->cdta->wr2[i] = temp * wtemp; } #ifdef _LOCAL_DATA /* TODO this could actually be merged with evaluateGenericInitrav below */ /* will help to reduce sync points */ /* same holds for many other model opt procedures of type change model param and then execute initrav */ masterBarrier(THREAD_COPY_RATE_CATS, tr); #endif evaluateGenericInitrav(tr, tr->start); if(tr->likelihood < initialLH) { tr->NumberOfCategories = oldNumber; for (i = 0; i < tr->cdta->endsite; i++) { tr->cdta->patratStored[i] = ratStored[i]; tr->cdta->rateCategory[i] = oldCategory[i]; tr->cdta->patrat[i] = oldRat[i]; tr->cdta->wr[i] = oldwr[i]; tr->cdta->wr2[i] = oldwr2[i]; } #ifdef _LOCAL_DATA /* TODO this could actually be merged with evaluateGenericInitrav */ /* will help to reduce sync points */ /* same holds for many other model opt procedures of type change model param and then execute initrav */ masterBarrier(THREAD_COPY_RATE_CATS, tr); #endif evaluateGenericInitrav(tr, tr->start); } free(oldCategory); free(oldRat); free(ratStored); free(oldwr); free(oldwr2); free(lhs); } static void cacheZ(tree *tr, double *zs, int model) { nodeptr p; int nodes; nodes = tr->mxtips + 3 * (tr->mxtips - 2); p = tr->nodep[1]; while (nodes-- > 0) { zs[nodes] = p->z[model]; p++; } } static void restoreZ(tree *tr, double *zs, int model) { nodeptr p; int nodes; nodes = tr->mxtips + 3 * (tr->mxtips - 2); p = tr->nodep[1]; while (nodes-- > 0) { p->z[model] = zs[nodes]; p->back->z[model] = zs[nodes]; p++; } } static double treeLengthRec(nodeptr p, tree *tr, int model) { if(/*p->tip*/ isTip(p->number, tr->rdta->numsp)) return 0.0; else { double x, acc = 0; nodeptr q; x = p->z[model]; if (x < zmin) x = zmin; x = -log(x) * tr->fracchange; q = p->next; while(q != p) { acc += treeLengthRec(q->back, tr, model); q = q->next; } return acc + x; } } double treeLength(tree *tr, int model) { return (treeLengthRec(tr->start, tr, model) + treeLengthRec(tr->start->back, tr, model)); } /*static double gappyness(tree *tr, int lower, int upper) { int i, j, count = 0, total = 0; double result; for(i = 1; i <= tr->mxtips; i++) { char *y = tr->yVector[i]; for(j = lower; j < upper; j++) { if(y[j] == 15) count++; total++; } } result = ((double)count) / ((double)total); return result; }*/ void optimizeRatesOnly(tree *tr, analdef *adef) { int i = 0; char temporaryFileName[1024] = ""; FILE *out; assert(0); /* TODO-MIX needs to be checked */ getStartingTree(tr, adef); strcpy(temporaryFileName, ratesFileName); out = fopen(temporaryFileName, "w"); adef->likelihoodEpsilon = 0.5; if(adef->model == M_GTRGAMMA || adef->model == M_PROTGAMMA) { modOpt(tr, adef); /*printf("GAMMA model OPT %f\n", tr->likelihood);*/ categorizeGeneric(tr, tr->start); for(i = 0; i < tr->cdta->endsite; i++) fprintf(out, "%d %f\n", i, tr->gammaRates[tr->cdta->rateCategory[i]]); if(adef->treeLength) { FILE *tlf; int lower, upper; int windowSize = 100; int increment = 20; double *branches = malloc(4 * tr->mxtips * sizeof(double)), tl; /*printf("FileNames %s and %s\n", lengthFileName, lengthFileNameModel);*/ for(i = 0; i < tr->cdta->endsite; i++) tr->cdta->wr[i] = tr->cdta->aliaswgt[i]; evaluateGenericInitrav(tr, tr->start); /*printf("GAMMA %f\n", tr->likelihood);*/ cacheZ(tr, branches, 0); tlf = fopen(lengthFileName, "w"); for(upper = windowSize, lower = 0; upper < tr->cdta->endsite && upper > lower; lower += increment, upper = MIN(upper + increment, tr->cdta->endsite)) { /*resetBranches(tr);*/ restoreZ(tr, branches, 0); /*tr->modelIndices[0][0] = lower; tr->modelIndices[0][1] = upper;*/ tr->partitionData[0].lower = lower; tr->partitionData[0].upper = upper; tr->start = tr->nodep[1]; evaluateGenericInitravPartition(tr, tr->start, 0); /*printf("Winodw %d to %d : %f ->", lower, upper, tr->likelihood);*/ treeEvaluatePartition(tr, 1.0, 0); tl = treeLength(tr, 0); /*printf(" %f Length %f\n", tr->likelihood, tl);*/ fprintf(tlf, "%d %f\n", lower + (int)((upper - lower) / 2), tl); } fclose(tlf); modOpt(tr, adef); /*printf("GAMMA model OPT %f\n", tr->likelihood);*/ tlf = fopen(lengthFileNameModel, "w"); for(upper = windowSize, lower = 0; upper < tr->cdta->endsite && upper > lower; lower += increment, upper = MIN(upper + increment, tr->cdta->endsite)) { /*tr->modelIndices[0][0] = lower; tr->modelIndices[0][1] = upper;*/ tr->partitionData[0].lower = lower; tr->partitionData[0].upper = upper; tr->start = tr->nodep[1]; evaluateGenericInitravPartition(tr, tr->start, 0); /*printf("W-M-OPT %d to %d : %f ->", lower, upper, tr->likelihood);*/ modOptModel(tr, adef, 0); tl = treeLength(tr, 0); /*printf(" %f Length %f alpha %f gappyness %f\n", tr->likelihood, tl, tr->alphas[0], gappyness(tr, lower, upper));*/ fprintf(tlf, "%d %f\n", lower + (int)((upper - lower) / 2), tl); } fclose(tlf); free(branches); } } else { modOptSpecial(tr, adef); for(i = 0; i < tr->cdta->endsite; i++) /*fprintf(out, "%d %f\n", i, log(tr->cdta->patrat[i]));*/ fprintf(out, "%d %f\n", i, tr->cdta->patrat[i]); } fclose(out); } /************************* ARNDT_MODE *************************************/ void optimizeArndt(tree *tr, analdef *adef) { int model; modOpt(tr, adef); printf("\nFinal ML Optimization Likelihood: %f\n", tr->likelihood); printf("\nModel Information:\n\n"); for(model = 0; model < tr->NumberOfModels; model++) { double tl; char typeOfData[1024]; switch(tr->partitionData[model].dataType) { case AA_DATA: strcpy(typeOfData,"AA"); break; case DNA_DATA: strcpy(typeOfData,"DNA"); break; default: assert(0); } printf("Model Parameters of Partition %d, Name: %s, Type of Data: %s\n", model, tr->partitionData[model].partitionName, typeOfData); printf("alpha: %f\n", tr->alphas[model]); if(adef->useInvariant) printf("invar: %f\n", tr->invariants[model]); if(adef->perGeneBranchLengths) tl = treeLength(tr, model); else tl = treeLength(tr, 0); printf("Tree-Length: %f\n", tl); switch(tr->partitionData[model].dataType) { case AA_DATA: break; case DNA_DATA: { int k; char *names[6] = {"a<->c", "a<->g", "a<->t", "c<->g", "c<->t", "g<->t"}; for(k = 0; k < DNA_RATES; k++) printf("rate %s: %f\n", names[k], tr->initialRates_DNA[model * DNA_RATES + k]); printf("rate %s: %f\n", names[5], 1.0); } break; default: assert(0); } printf("\n"); } { FILE *of; char outName[1024]; int count = 0; int billig = (int)(-1.0 * tr->likelihood); strcpy(outName, workdir); strcat(outName, "RAxML_arndt."); strcat(outName, run_id); of = fopen(outName, "w"); if(adef->useInvariant) { double invar = INVAR_MIN; while(invar <= 0.9999) { double alpha = ALPHA_MIN; tr->invariants[0] = invar; while(alpha <= 5.0) { double lh, rho, eta; lh = evaluateAlpha(tr, alpha, 0); /* fprintf(of, "%1.10f %1.10f %f\n", invar, alpha, lh); */ if(billig == (int)(-1.0 * lh)) printf("%1.10f %1.10f\n", invar, alpha); eta = 1.0 / (1.0 + alpha); rho = invar + eta - eta * invar; fprintf(of, "%1.10f %f\n", rho, lh); alpha += 0.01; /*if(count % 10000 == 0) printf("%f %f\n", alpha, invar);*/ count++; } invar += 0.01; } } else { double alpha = ALPHA_MIN; while(alpha < 5.0) { double lh, eta; lh = evaluateAlpha(tr, alpha, 0); eta = 1.0 / (1.0 + alpha); /*fprintf(of, "%1.10f %f\n", alpha, lh);*/ fprintf(of, "%1.10f %f\n", eta, lh); if(billig == (int)(-1.0 * lh)) printf("0.0 %1.10f\n", alpha); alpha += 0.01; /*if(count % 10000 == 0) printf("%f\n", alpha);*/ count++; } } printf("Result written to: %s\n", outName); fclose(of); exit(0); } } ./arbsrc_9167/GDE/RAxML/parsePartitions.c0000644012664100000130000005237611440742777020046 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include "axml.h" /*****************************FUNCTIONS FOR READING MULTIPLE MODEL SPECIFICATIONS************************************************/ extern char modelFileName[1024]; extern char excludeFileName[1024]; extern char proteinModelFileName[1024]; extern char inverseMeaningDNA[16]; extern char inverseMeaningPROT[23]; extern char seq_file[1024]; static boolean lineContainsOnlyWhiteChars(char *line) { int i, n = strlen(line); if(n == 0) return TRUE; for(i = 0; i < n; i++) { if(!whitechar(line[i])) return FALSE; } return TRUE; } static int isNum(char c) { return (c == '0' || c == '1' || c == '2' || c == '3' || c == '4' || c == '5' || c == '6' || c == '7' || c == '8' || c == '9'); } static void skipWhites(char **ch) { while(**ch == ' ' || **ch == '\t') *ch = *ch + 1; } static void analyzeIdentifier(char **ch, int modelNumber, tree *tr) { char ident[2048] = ""; char model[128] = ""; char *protModels[10] = {"DAYHOFF", "DCMUT", "JTT", "MTREV", "WAG", "RTREV", "CPREV", "VT", "BLOSUM62", "MTMAM"}; char *dnaModels[1] = {"DNA"}; char thisModel[1024]; int i = 0, n, j; int containsComma = 0; while(**ch != '=') { if(**ch != ' ' && **ch != '\t') { ident[i] = **ch; i++; } *ch = *ch + 1; } n = i; i = 0; for(i = 0; i < n; i++) if(ident[i] == ',') containsComma = 1; if(!containsComma) { printf("Error, model file must have format: DNA or AA model, then a comma, and then the partition name\n"); exit(-1); } else { boolean found = FALSE; i = 0; while(ident[i] != ',') { model[i] = ident[i]; i++; } /* AA */ for(i = 0; i < 10 && !found; i++) { strcpy(thisModel, protModels[i]); if(strcmp(model, thisModel) == 0) { /* adef->protModels[modelNumber] = i; adef->protFreqs[modelNumber] = 0; tr->dataType[modelNumber] = AA_DATA; */ tr->partitionData[modelNumber].protModels = i; tr->partitionData[modelNumber].protFreqs = 0; tr->partitionData[modelNumber].dataType = AA_DATA; found = TRUE; } strcpy(thisModel, protModels[i]); strcat(thisModel, "F"); if(strcmp(model, thisModel) == 0) { /* adef->protModels[modelNumber] = i; adef->protFreqs[modelNumber] = 1; tr->dataType[modelNumber] = AA_DATA; */ tr->partitionData[modelNumber].protModels = i; tr->partitionData[modelNumber].protFreqs = 1; tr->partitionData[modelNumber].dataType = AA_DATA; found = TRUE; } } if(!found) { strcpy(thisModel, dnaModels[0]); if(strcmp(model, thisModel) == 0) { /* adef->protModels[modelNumber] = -1; adef->protFreqs[modelNumber] = -1; tr->dataType[modelNumber] = DNA_DATA; */ tr->partitionData[modelNumber].protModels = -1; tr->partitionData[modelNumber].protFreqs = -1; tr->partitionData[modelNumber].dataType = DNA_DATA; found = TRUE; } } if(!found) { printf("ERROR: you specified the unknown protein or DNA model %s for partition %d\n", model, modelNumber); exit(-1); } i = 0; while(ident[i++] != ','); tr->partitionData[modelNumber].partitionName = (char*)malloc((n - i + 1) * sizeof(char)); j = 0; while(i < n) tr->partitionData[modelNumber].partitionName[j++] = ident[i++]; tr->partitionData[modelNumber].partitionName[j] = '\0'; } } static void setModel(int model, int position, int *a) { if(a[position] == -1) a[position] = model; else { printf("ERROR trying to assign model %d to position %d \n", model, position); printf("while already model %d has been assigned to this position\n", a[position]); exit(-1); } } static int myGetline(char **lineptr, int *n, FILE *stream) { char *line, *p; int size, copy, len; int chunkSize = 256 * sizeof(char); if (*lineptr == NULL || *n < 2) { line = (char *)realloc(*lineptr, chunkSize); if (line == NULL) return -1; *lineptr = line; *n = chunkSize; } line = *lineptr; size = *n; copy = size; p = line; while(1) { while (--copy > 0) { register int c = getc(stream); if (c == EOF) goto lose; else { *p++ = c; if(c == '\n' || c == '\r') goto win; } } /* Need to enlarge the line buffer. */ len = p - line; size *= 2; line = realloc (line, size); if (line == NULL) goto lose; *lineptr = line; *n = size; p = line + len; copy = size - len; } lose: if (p == *lineptr) return -1; /* Return a partial line since we got an error in the middle. */ win: *p = '\0'; return p - *lineptr; } void parsePartitions(analdef *adef, rawdata *rdta, tree *tr) { FILE *f; int numberOfModels = 0; int nbytes = 0; char *ch; char *cc = (char *)NULL; char **p_names; int n, i, l; int lower, upper, modulo; char buf[256]; int **partitions; int pairsCount; int as, j; int k; f = fopen(modelFileName, "r"); if (!f) { printf( "Could not open multiple model file: %s\n", modelFileName); exit(-1); } while(myGetline(&cc, &nbytes, f) > -1) { if(!lineContainsOnlyWhiteChars(cc)) { numberOfModels++; } if(cc) free(cc); cc = (char *)NULL; } rewind(f); p_names = (char **)malloc(sizeof(char *) * numberOfModels); partitions = (int **)malloc(sizeof(int *) * numberOfModels); /*if(adef->protModels == (int *)NULL) adef->protModels = (int *)malloc(sizeof(int) * numberOfModels); if(adef->protFreqs == (int *)NULL) adef->protFreqs = (int *)malloc(sizeof(int) * numberOfModels); tr->dataType = (int *)malloc(sizeof(int) * numberOfModels);*/ tr->partitionData = (pInfo*)malloc(sizeof(pInfo) * numberOfModels); for(i = 0; i < numberOfModels; i++) { /* adef->protModels[i] = adef->proteinMatrix; adef->protFreqs[i] = adef->protEmpiricalFreqs; tr->dataType[i] = -1; */ tr->partitionData[i].protModels = adef->proteinMatrix; tr->partitionData[i].protFreqs = adef->protEmpiricalFreqs; tr->partitionData[i].dataType = -1; } for(i = 0; i < numberOfModels; i++) partitions[i] = (int *)NULL; i = 0; while(myGetline(&cc, &nbytes, f) > -1) { if(!lineContainsOnlyWhiteChars(cc)) { n = strlen(cc); p_names[i] = (char *)malloc(sizeof(char) * (n + 1)); strcpy(&(p_names[i][0]), cc); i++; } if(cc) free(cc); cc = (char *)NULL; } for(i = 0; i < numberOfModels; i++) { ch = p_names[i]; pairsCount = 0; skipWhites(&ch); if(*ch == '=') { printf("Identifier missing prior to '=' in %s\n", p_names[i]); exit(-1); } analyzeIdentifier(&ch, i, tr); ch++; numberPairs: pairsCount++; partitions[i] = (int *)realloc((void *)partitions[i], (1 + 3 * pairsCount) * sizeof(int)); partitions[i][0] = pairsCount; partitions[i][3 + 3 * (pairsCount - 1)] = -1; skipWhites(&ch); if(!isNum(*ch)) { printf("%c Number expected in %s\n", *ch, p_names[i]); exit(-1); } l = 0; while(isNum(*ch)) { /*printf("%c", *ch);*/ buf[l] = *ch; ch++; l++; } buf[l] = '\0'; lower = atoi(buf); partitions[i][1 + 3 * (pairsCount - 1)] = lower; skipWhites(&ch); /* NEW */ if((*ch != '-') && (*ch != ',')) { if(*ch == '\0' || *ch == '\n' || *ch == '\r') { upper = lower; goto SINGLE_NUMBER; } else { printf("'-' or ',' expected in %s\n", p_names[i]); exit(-1); } } if(*ch == ',') { upper = lower; goto SINGLE_NUMBER; } /* END NEW */ ch++; skipWhites(&ch); if(!isNum(*ch)) { printf("%c Number expected in %s\n", *ch, p_names[i]); exit(-1); } l = 0; while(isNum(*ch)) { buf[l] = *ch; ch++; l++; } buf[l] = '\0'; upper = atoi(buf); SINGLE_NUMBER: partitions[i][2 + 3 * (pairsCount - 1)] = upper; if(upper < lower) { printf("Upper bound %d smaller than lower bound %d for this partition: %s\n", upper, lower, p_names[i]); exit(-1); } skipWhites(&ch); if(*ch == '\0' || *ch == '\n' || *ch == '\r') /* PC-LINEBREAK*/ { goto parsed; } if(*ch == ',') { ch++; goto numberPairs; } if(*ch == '\\') { ch++; skipWhites(&ch); if(!isNum(*ch)) { printf("%c Number expected in %s\n", *ch, p_names[i]); exit(-1); } l = 0; while(isNum(*ch)) { buf[l] = *ch; ch++; l++; } buf[l] = '\0'; modulo = atoi(buf); partitions[i][3 + 3 * (pairsCount - 1)] = modulo; skipWhites(&ch); if(*ch == '\0' || *ch == '\n' || *ch == '\r') { goto parsed; } if(*ch == ',') { ch++; goto numberPairs; } } assert(0); parsed: i = i; } fclose(f); /*********************************************************************************************************************/ for(i = 0; i <= rdta->sites; i++) tr->model[i] = -1; for(i = 0; i < numberOfModels; i++) { as = partitions[i][0]; for(j = 0; j < as; j++) { lower = partitions[i][1 + j * 3]; upper = partitions[i][2 + j * 3]; modulo = partitions[i][3 + j * 3]; if(modulo == -1) { for(k = lower; k <= upper; k++) setModel(i, k, tr->model); } else { for(k = lower; k <= upper; k += modulo) { if(k <= rdta->sites) setModel(i, k, tr->model); } } } } for(i = 1; i < rdta->sites + 1; i++) { if(tr->model[i] == -1) { printf("ERROR: Alignment Position %d has not been assigned any model\n", i); exit(-1); } } for(i = 0; i < numberOfModels; i++) { free(partitions[i]); free(p_names[i]); } free(partitions); free(p_names); tr->NumberOfModels = numberOfModels; if(adef->perGeneBranchLengths) { if(tr->NumberOfModels > NUM_BRANCHES) { printf("You are trying to use %d partitioned models for an individual per-gene branch length estimate.\n", tr->NumberOfModels); printf("Currently only %d are allowed to improve efficiency.\n", NUM_BRANCHES); printf("\n"); printf("In order to change this please replace the line \"#define NUM_BRANCHES %d\" in file \"axml.h\" \n", NUM_BRANCHES); printf("by \"#define NUM_BRANCHES %d\" and then re-compile RAxML.\n", tr->NumberOfModels); exit(-1); } else { tr->multiBranch = 1; tr->numBranches = tr->NumberOfModels; } } } /*******************************************************************************************************************************/ void handleExcludeFile(tree *tr, analdef *adef, rawdata *rdta) { FILE *f; char ch, buf[256]; int j, value, i, state = 0, numberOfModels = 0, l = -1, excludeRegion = 0, excludedColumns = 0, modelCounter = 1; int *excludeArray, *countArray, *modelList; int **partitions; printf("\n\n"); f = fopen(excludeFileName, "r"); if (!f) { printf( "Could not open multiple model file: %s\n", excludeFileName); exit(-1); } while((ch = getc(f)) != EOF) { if(ch == '-') numberOfModels++; } excludeArray = (int*)malloc(sizeof(int) * (rdta->sites + 1)); countArray = (int*)malloc(sizeof(int) * (rdta->sites + 1)); modelList = (int *)malloc((rdta->sites + 1)* sizeof(int)); partitions = (int **)malloc(sizeof(int *) * numberOfModels); for(i = 0; i < numberOfModels; i++) partitions[i] = (int *)malloc(sizeof(int) * 2); rewind(f); while((ch = getc(f)) != EOF) { switch(state) { case 0: /* get first number */ if(!whitechar(ch)) { if(!isNum(ch)) { printf("exclude file must have format: number-number [number-number]*\n"); exit(-1); } l = 0; buf[l++] = ch; state = 1; } break; case 1: /*get the number or detect - */ if(!isNum(ch) && ch != '-') { printf("exclude file must have format: number-number [number-number]*\n"); exit(-1); } if(isNum(ch)) { buf[l++] = ch; } else { buf[l++] = '\0'; value = atoi(buf); partitions[excludeRegion][0] = value; state = 2; } break; case 2: /*get second number */ if(!isNum(ch)) { printf("exclude file must have format: number-number [number-number]*\n"); exit(-1); } l = 0; buf[l++] = ch; state = 3; break; case 3: /* continue second number or find end */ if(!isNum(ch) && !whitechar(ch)) { printf("exclude file must have format: number-number [number-number]*\n"); exit(-1); } if(isNum(ch)) { buf[l++] = ch; } else { buf[l++] = '\0'; value = atoi(buf); partitions[excludeRegion][1] = value; excludeRegion++; state = 0; } break; default: assert(0); } } if(state == 3) { buf[l++] = '\0'; value = atoi(buf); partitions[excludeRegion][1] = value; excludeRegion++; } assert(excludeRegion == numberOfModels); for(i = 0; i <= rdta->sites; i++) { excludeArray[i] = -1; countArray[i] = 0; modelList[i] = -1; } for(i = 0; i < numberOfModels; i++) { int lower = partitions[i][0]; int upper = partitions[i][1]; if(lower > upper) { printf("Misspecified exclude region %d\n", i); printf("lower bound %d is greater than upper bound %d\n", lower, upper); exit(-1); } if(lower == 0) { printf("Misspecified exclude region %d\n", i); printf("lower bound must be greater than 0\n"); exit(-1); } if(upper > rdta->sites) { printf("Misspecified exclude region %d\n", i); printf("upper bound %d must be smaller than %d\n", upper, (rdta->sites + 1)); exit(-1); } for(j = lower; j <= upper; j++) { if(excludeArray[j] != -1) { printf("WARNING: Exclude regions %d and %d overlap at position %d (already excluded %d times)\n", excludeArray[j], i, j, countArray[j]); } excludeArray[j] = i; countArray[j] = countArray[j] + 1; } } for(i = 1; i <= rdta->sites; i++) { if(excludeArray[i] != -1) excludedColumns++; else { modelList[modelCounter] = tr->model[i]; modelCounter++; } } printf("You have excluded %d out of %d columns\n", excludedColumns, rdta->sites); if(excludedColumns == rdta->sites) { printf("Error: You have excluded all sites\n"); exit(-1); } if(adef->useMultipleModel && (excludedColumns > 0)) { char mfn[2048]; FILE *newFile; strcpy(mfn, modelFileName); strcat(mfn, "."); strcat(mfn, excludeFileName); newFile = fopen(mfn, "w"); printf("\nA partition file with analogous model assignments for non-excluded columns is printed to file %s\n", mfn); for(i = 0; i < tr->NumberOfModels; i++) { boolean modelStillExists = FALSE; for(j = 1; (j <= rdta->sites) && (!modelStillExists); j++) { if(modelList[j] == i) modelStillExists = TRUE; } if(modelStillExists) { char *protModels[10] = {"DAYHOFF", "DCMUT", "JTT", "MTREV", "WAG", "RTREV", "CPREV", "VT", "BLOSUM62", "MTMAM"}; int k = 1; int lower, upper; int parts = 0; switch(tr->partitionData[i].dataType) { case AA_DATA: { char AAmodel[1024]; strcpy(AAmodel, protModels[tr->partitionData[i].protModels]); if(tr->partitionData[i].protFreqs) strcat(AAmodel, "F"); fprintf(newFile, "%s, ", AAmodel); } break; case DNA_DATA: fprintf(newFile, "DNA, "); break; default: assert(0); } fprintf(newFile, "%s = ", tr->partitionData[i].partitionName); while(k <= rdta->sites) { if(modelList[k] == i) { lower = k; while((modelList[k + 1] == i) && (k <= rdta->sites)) k++; upper = k; if(lower == upper) { if(parts == 0) fprintf(newFile, "%d", lower); else fprintf(newFile, ",%d", lower); } else { if(parts == 0) fprintf(newFile, "%d-%d", lower, upper); else fprintf(newFile, ",%d-%d", lower, upper); } parts++; } k++; } fprintf(newFile, "\n"); } } fclose(newFile); } { FILE *newFile; char mfn[2048]; strcpy(mfn, seq_file); strcat(mfn, "."); strcat(mfn, excludeFileName); newFile = fopen(mfn, "w"); printf("\nAn alignment file with excluded columns is printed to file %s\n\n\n", mfn); fprintf(newFile, "%d %d\n", tr->mxtips, rdta->sites - excludedColumns); for(i = 1; i <= tr->mxtips; i++) { char *tipI = &(rdta->y[i][1]); fprintf(newFile, "%s ", tr->nameList[i]); for(j = 0; j < rdta->sites; j++) { if(excludeArray[j + 1] == -1) { switch(tr->dataVector[j + 1]) { case AA_DATA: fprintf(newFile, "%c", inverseMeaningPROT[tipI[j]]); break; case DNA_DATA: fprintf(newFile, "%c", inverseMeaningDNA[tipI[j]]); break; default: assert(0); } } } fprintf(newFile, "\n"); } fclose(newFile); } fclose(f); for(i = 0; i < numberOfModels; i++) free(partitions[i]); free(partitions); free(excludeArray); free(countArray); free(modelList); } void parseProteinModel(analdef *adef) { FILE *f; int doublesRead = 0; int result = 0; int i, j; double acc = 0.0; assert(adef->userProteinModel); printf("User-defined prot mod %s\n", proteinModelFileName); adef->externalAAMatrix = (double*)malloc(420 * sizeof(double)); f = fopen(proteinModelFileName, "r"); if (!f) { printf( "Could not open external AA substitution model file: %s\n", proteinModelFileName); exit(-1); } while(doublesRead < 420) { result = fscanf(f, "%lf", &(adef->externalAAMatrix[doublesRead++])); if(result == EOF) { printf("Error protein model file must consist of exactly 420 entries \n"); printf("The first 400 entries are for the rates of the AA matrix, while the\n"); printf("last 20 should contain the empirical base frequencies\n"); printf("Reached End of File after %d entries\n", (doublesRead - 1)); exit(-1); } } fclose(f); /* CHECKS */ for(i = 0; i < 20; i++) for(j = 0; j < 20; j++) { if(i != j) { if(adef->externalAAMatrix[i * 20 + j] != adef->externalAAMatrix[j * 20 + i]) { printf("Error user-defined Protein model matrix must be symmetric\n"); printf("Entry P[%d][%d]=%f at position %d is not equal to P[%d][%d]=%f at position %d\n", i, j, adef->externalAAMatrix[i * 20 + j], (i * 20 + j), j, i, adef->externalAAMatrix[j * 20 + i], (j * 20 + i)); exit(-1); } } } acc = 0.0; for(i = 400; i < 420; i++) acc += adef->externalAAMatrix[i]; if((acc > 1.0 + 1.0E-6) || (acc < 1.0 - 1.0E-6)) { printf("Base frequencies in user-defined AA substitution matrix do not sum to 1.0\n"); printf("the sum is %1.80f\n", acc); exit(-1); } } ./arbsrc_9167/GDE/RAxML/rapidBootstrap.c0000644012664100000130000002314311213220010017603 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include "axml.h" extern int Thorough; extern infoList iList; extern char inverseMeaningDNA[16]; extern char seq_file[1024]; void computeBOOTRAPID (tree *tr, analdef *adef, long *radiusSeed) { int i, bestTrav, impr; double lh, previousLh, difference, epsilon; bestlist *bestT, *bt; int countIT; bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); saveBestTree(bestT, tr); bt = (bestlist *) malloc(sizeof(bestlist)); bt->ninit = 0; initBestTree(bt, 5, tr->mxtips); initInfoList(10); difference = 10.0; epsilon = 0.01; bestTrav = adef->bestTrav = 5 + 11 * randum(radiusSeed); Thorough = 1; impr = 1; if(tr->doCutoff) tr->itCount = 0; tr->bigCutoff = TRUE; for(countIT = 0; countIT < 2 && impr; countIT++) { recallBestTree(bestT, 1, tr); treeEvaluate(tr, 1); saveBestTree(bestT, tr); lh = previousLh = tr->likelihood; treeOptimizeRapid(tr, 1, bestTrav, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } tr->bigCutoff = FALSE; recallBestTree(bestT, 1, tr); freeBestTree(bestT); free(bestT); freeBestTree(bt); free(bt); freeInfoList(); } void optimizeRAPID(tree *tr, analdef *adef) { int i, impr, bestTrav; double lh, previousLh, difference, epsilon; bestlist *bestT, *bt; bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); bt = (bestlist *) malloc(sizeof(bestlist)); bt->ninit = 0; initBestTree(bt, 20, tr->mxtips); initInfoList(50); difference = 10.0; epsilon = 0.01; Thorough = 0; /*drawBipartitionsOnTree(tr, adef, rl, n);*/ saveBestTree(bestT, tr); bestTrav = adef->bestTrav = determineRearrangementSetting(tr, adef, bestT, bt); saveBestTree(bestT, tr); impr = 1; if(tr->doCutoff) tr->itCount = 0; while(impr) { recallBestTree(bestT, 1, tr); treeEvaluate(tr, 1); #ifdef _DEBUG_AA printf("TreeEVAL optRAPID %f\n", tr->likelihood); assert(!isnan(tr->likelihood)); #endif /*drawBipartitionsOnTree(tr, adef, rl, n);*/ saveBestTree(bestT, tr); lh = previousLh = tr->likelihood; treeOptimizeRapid(tr, 1, bestTrav, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); #ifdef _DEBUG_AA printf("%d %f\n", i, tr->likelihood); assert(!isnan(tr->likelihood)); #endif difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } recallBestTree(bestT, 1, tr); freeBestTree(bestT); free(bestT); freeBestTree(bt); free(bt); freeInfoList(); } void thoroughOptimization(tree *tr, analdef *adef, topolRELL_LIST *rl, int index) { int i, impr; int rearrangementsMin = 1, rearrangementsMax = adef->stepwidth; double lh, previousLh, difference, epsilon; bestlist *bestT, *bt; bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); bt = (bestlist *) malloc(sizeof(bestlist)); bt->ninit = 0; initBestTree(bt, 20, tr->mxtips); initInfoList(50); difference = 10.0; epsilon = 0.01; /*drawBipartitionsOnTree(tr, adef, rl, n);*/ saveBestTree(bestT, tr); impr = 1; if(tr->doCutoff) tr->itCount = 0; Thorough = 1; impr = 1; while(1) { recallBestTree(bestT, 1, tr); if(impr) { rearrangementsMin = 1; rearrangementsMax = adef->stepwidth; /*drawBipartitionsOnTree(tr, adef, rl, n);*/ } else { rearrangementsMax += adef->stepwidth; rearrangementsMin += adef->stepwidth; if(rearrangementsMax > adef->max_rearrange) goto cleanup; } treeEvaluate(tr, 1.0); previousLh = lh = tr->likelihood; saveBestTree(bestT, tr); treeOptimizeRapid(tr, rearrangementsMin, rearrangementsMax, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } cleanup: saveTL(rl, tr, index); freeBestTree(bestT); free(bestT); freeBestTree(bt); free(bt); freeInfoList(); } /*********************************************************************************************************************/ static boolean qupdate (tree *tr, nodeptr p) { nodeptr q; double z0[NUM_BRANCHES], z[NUM_BRANCHES]; int i; q = p->back; for(i = 0; i < tr->numBranches; i++) z0[i] = q->z[i]; makenewzGeneric(tr, p, q, z0, 1, z); for(i = 0; i < tr->numBranches; i++) p->z[i] = q->z[i] = z[i]; return TRUE; } static boolean qsmoothLocal(tree *tr, nodeptr p, int n) { nodeptr q; if(n == 0) return TRUE; else { if (! qupdate(tr, p)) return FALSE; /* Adjust branch */ if (/*! p->tip*/ !isTip(p->number, tr->rdta->numsp)) { /* Adjust descendants */ q = p->next; while (q != p) { if (! qsmoothLocal(tr, q->back, n - 1)) return FALSE; q = q->next; } newviewGeneric(tr, p); } return TRUE; } } static void quickSmoothLocal(tree *tr, int n) { nodeptr p = tr->insertNode; nodeptr q; if(n == 0) { evaluateGeneric(tr, p); } else { qsmoothLocal(tr, p->back, n - 1); if(/*! p->tip*/ !isTip(p->number, tr->rdta->numsp)) { q = p->next; while(q != p) { qsmoothLocal(tr, q->back, n - 1); q = q->next; } } evaluateGeneric(tr, p); } } int treeOptimizeThorough(tree *tr, int mintrav, int maxtrav) { int i; bestlist *bestT; nodeRectifier(tr); bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); if (maxtrav > tr->ntips - 3) maxtrav = tr->ntips - 3; tr->startLH = tr->endLH = tr->likelihood; for(i = 1; i <= tr->mxtips + tr->mxtips - 2; i++) { tr->bestOfNode = unlikely; if(rearrangeBIG(tr, tr->nodep[i], mintrav, maxtrav)) { if((tr->endLH > tr->startLH) && (tr->bestOfNode != unlikely)) { restoreTreeFast(tr); quickSmoothLocal(tr, 3); tr->startLH = tr->endLH = tr->likelihood; } else { if(tr->bestOfNode != unlikely) { resetBestTree(bestT); saveBestTree(bestT, tr); restoreTreeFast(tr); quickSmoothLocal(tr, 3); if(tr->likelihood < tr->startLH) { int res; res = recallBestTree(bestT, 1, tr); assert(res > 0); } else tr->startLH = tr->endLH = tr->likelihood; } } } } freeBestTree(bestT); free(bestT); return 1; } ./arbsrc_9167/GDE/RAxML/RAxML-Manual.7.0.3.pdf0000644012664100000130000062665111213220010017754 0ustar arb_buildcoders%PDF-1.4 %Çì¢ 5 0 obj <> stream xœÍ\[s7rNí#_òX•J“òî@^{ídµ‘7k[©Mj×”HI^S¤lжµ$!?3ݸuÓ‡G”íTJUÒƒK£/__0ßž®‹:]ñOý÷Ù«“¿§/nOrë©:ý·þ뛓oOTýÏZ{Ÿ~ü^H§*,Z9{úäù‰ªÝõê}\X<´¿:ùãÙ“Ý^/v5ÁŸ½,?µ±g—ð3˜Åzö¶&£Œ:ûˆ~þ¸Û«Å›dâÙg»=ôt1†³ÇÐÁìޜê°ìöëUòél[M-ð±Î©ëõÎ..xÎîhµìùUê«'¿…­%”]Œõ÷®ÃôjN÷Ú,N¥túäö÷¢<îð 'V{û6a1IÙ²ÁŒw0“]'x|Ý]ä_!©³ï°£‹:ÞôÇ·0zô‹ÖîìKšèÍN-ÉÇć|Uv £6©ß7´ž¯i½·½•vï:Ww~ºW~‰eÇO°/¬ÊY8é¼z]:,+üS¤²v@åw:ÂÚ­AzÔŽW°&¼0=þ²Ú4Yk#>Î[×KL Ø¡½}Þ=m¿ú‚Òª.8†Eá ÁáÁ?º¬[á,k®“ö¸W6Á®`£°d“ú^aœE¹Àv@kxFë&JЮ{Û ØK‚5%þ å ÛúÙͧhý–Æ”¦üF‡Á'Rñ‹þƒÆ¼ž–„”~ƒ=í²úpöq?&z|sï.žï@V¿nØz2Á_áÔJi£[ðd²ÕFè@óÔµkß÷ƒÇSbã‰Á)À"A…”SøD"Ôk‘:{£c¬óº˜¿.lÕÁ±÷¯ùu‚ù¢g{Þ(¥Î~MÓÓs¾[ZÊ´ïK¾>Í’qnä6s?RHZ'£Ú%çþ=P͹„¼ ­]3=VuÑý@›¢Y_ôÇûÌgÖ¢&NU”XNj½ê£SÛ¹°;Æø}òÌÍa]­ÓvÆq¾ß!ó­Î4nr+-’ø"ó›s‹‰om¡Ûÿ´ mV£N÷c§‘Á[pÐ Ø d; ւ>^#þæ$GÅ!yYœ*è¨ñpÙÞ§ŸÏì™y~Æ©ë7´oküghÔʬ†tî 2,ŠÒ…§q~Eã°çWŒg¦N¬ãÅ–:Ey'n™Á8yXÃéÞÙÅweŸRZ¬ë£”’‡õ¯‹‰° ,zÜÕµfõè–¤Q9··êû ÁJ³¢Ÿukû¸¿Ý­ ìÈkŸñ’†¿Ÿ<ù‡?e¬¬m„Qö-Œ rä–6ÎÀ@¨duDôc à+P:Ûí-à XfµÉ<<…‹Œ( ‘ÔŠ¢Ý~Ýô§¯ò˜Î¡Œ»E¥6ö—ƒf]’Ò»}F¾¶,\«a¯p˜˜VÏÚ¾Û…%®«²eY¹í PVº%ÍÙféJ‹ÊbÁ& #×{ƒ§Ôú!Ò±€®,ªµÑßàªUÚ.^fE ÂÍH·‰–ÚÁlp5l’[\‚Éãœ6õš‘$Ÿšr† úb‡‚üùT"Þ«2$ò&˜\‡6ˆ/œN‹…]Üv’]öý|Û;ÉÊS¯,ã—rD€~8sœ3¢ÁÑþÕÆéí‹z ^÷Çç#O¨ ùËù çú ç»dOË|ÁVæðÁ°— s$¥[íĹã«örÖÚ{¥›Ql²AÃT–QŠø”–XN=eUÛ[­™y&¿ j±6ý‘H«úó¯pƒ PIƒj¯“ ÏGÙ†t€ˆ_íu\˜Ã¹8cçŒ<”½Ü™Ñ¹äåC‹f{jƶµ-ssjˆ8&È=@®ßvѼáÒœ5ö/; 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Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with * thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include #include "axml.h" extern double masterTime; extern const int protTipParsimonyValue[23]; #ifdef _USE_PTHREADS extern int NumberOfThreads; extern int *reductionBufferParsimony; #endif /********************************DNA FUNCTIONS *****************************************************************/ static void computeTraversalInfoParsimony(nodeptr p, traversalInfo *ti, int *counter, int maxTips) { if(isTip(p->number, maxTips)) return; { nodeptr q = p->next->back; nodeptr r = p->next->next->back; if(isTip(r->number, maxTips) && isTip(q->number, maxTips)) { while (! p->x) { if (! p->x) getxnode(p); } ti[*counter].tipCase = TIP_TIP; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; *counter = *counter + 1; } else { if(isTip(r->number, maxTips) || isTip(q->number, maxTips)) { nodeptr tmp; if(isTip(r->number, maxTips)) { tmp = r; r = q; q = tmp; } while ((! p->x) || (! r->x)) { if (! r->x) computeTraversalInfoParsimony(r, ti, counter, maxTips); if (! p->x) getxnode(p); } ti[*counter].tipCase = TIP_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; *counter = *counter + 1; } else { while ((! p->x) || (! q->x) || (! r->x)) { if (! q->x) computeTraversalInfoParsimony(q, ti, counter, maxTips); if (! r->x) computeTraversalInfoParsimony(r, ti, counter, maxTips); if (! p->x) getxnode(p); } ti[*counter].tipCase = INNER_INNER; ti[*counter].pNumber = p->number; ti[*counter].qNumber = q->number; ti[*counter].rNumber = r->number; *counter = *counter + 1; } } } } static void newviewParsimonyDNA(traversalInfo *tInfo, char *right, char *left, parsimonyVector *rightVector, parsimonyVector *leftVector, parsimonyVector *thisVector, int lower, int upper) { int i, ts; int le, ri, t; switch(tInfo->tipCase) { case TIP_TIP: for(i = lower; i < upper; i++) { le = left[i]; ri = right[i]; t = le & ri; ts = 0; if(!t) { t = le | ri; ts = 1; } thisVector[i].parsimonyScore = ts; thisVector[i].parsimonyState = t; } break; case TIP_INNER: for(i = lower; i < upper; i++) { le = left[i]; ri = rightVector[i].parsimonyState; t = le & ri; ts = rightVector[i].parsimonyScore; if(!t) { t = le | ri; ts++; } thisVector[i].parsimonyScore = ts; thisVector[i].parsimonyState = t; } break; case INNER_INNER: for(i = lower; i < upper; i++) { le = leftVector[i].parsimonyState; ri = rightVector[i].parsimonyState; t = le & ri; ts = rightVector[i].parsimonyScore + leftVector[i].parsimonyScore; if(!t) { t = le | ri; ts++; } thisVector[i].parsimonyScore = ts; thisVector[i].parsimonyState = t; } break; default: assert(0); } } static void newviewParsimonyPROT(traversalInfo *tInfo, char *right, char *left, parsimonyVector *rightVector, parsimonyVector *leftVector, parsimonyVector *thisVector, int lower, int upper) { int i, ts; int le, ri, t; switch(tInfo->tipCase) { case TIP_TIP: for(i = lower; i < upper; i++) { le = protTipParsimonyValue[left[i]]; ri = protTipParsimonyValue[right[i]]; t = le & ri; ts = 0; if(!t) { t = le | ri; ts = 1; } thisVector[i].parsimonyScore = ts; thisVector[i].parsimonyState = t; } break; case TIP_INNER: for(i = lower; i < upper; i++) { le = protTipParsimonyValue[left[i]]; ri = rightVector[i].parsimonyState; t = le & ri; ts = rightVector[i].parsimonyScore; if(!t) { t = le | ri; ts++; } thisVector[i].parsimonyScore = ts; thisVector[i].parsimonyState = t; } break; case INNER_INNER: for(i = lower; i < upper; i++) { le = leftVector[i].parsimonyState; ri = rightVector[i].parsimonyState; t = le & ri; ts = rightVector[i].parsimonyScore + leftVector[i].parsimonyScore; if(!t) { t = le | ri; ts++; } thisVector[i].parsimonyScore = ts; thisVector[i].parsimonyState = t; } break; default: assert(0); } } static int evalDNA(char *right, parsimonyVector *rightVector,parsimonyVector *leftVector, int lower, int upper, int *wptr) { int i, sum, acc = 0; int le, ri; if(right) { for(i = lower; i < upper; i++) { le = leftVector[i].parsimonyState; ri = right[i]; sum = leftVector[i].parsimonyScore; if(!(le & ri)) sum++; acc += wptr[i] * sum; } } else { for(i = lower; i < upper; i++) { le = leftVector[i].parsimonyState; ri = rightVector[i].parsimonyState; sum = rightVector[i].parsimonyScore + leftVector[i].parsimonyScore; if(!(le & ri)) sum++; acc += wptr[i] * sum; } } return acc; } static int evalPROT(char *right, parsimonyVector *rightVector, parsimonyVector *leftVector, int lower, int upper, int *wptr) { int i, sum, acc = 0; int le, ri; if(right) { for(i = lower; i < upper; i++) { le = leftVector[i].parsimonyState; ri = protTipParsimonyValue[right[i]]; sum = leftVector[i].parsimonyScore; if(!(le & ri)) sum++; acc += wptr[i] * sum; } } else { for(i = lower; i < upper; i++) { le = leftVector[i].parsimonyState; ri = rightVector[i].parsimonyState; sum = rightVector[i].parsimonyScore + leftVector[i].parsimonyScore; if(!(le & ri)) sum++; acc += wptr[i] * sum; } } return acc; } #ifdef _LOCAL_DATA void newviewParsimonyIterative(tree *localTree, int startIndex, int endIndex) { traversalInfo *ti = localTree->td[0].ti; int i; for(i = 1; i < localTree->td[0].count; i++) { traversalInfo *tInfo = &ti[i]; char *right = (char*)NULL, *left = (char*)NULL; parsimonyVector *rightVector = (parsimonyVector *)NULL, *leftVector = (parsimonyVector *)NULL, *thisVector = (parsimonyVector *)NULL; switch(tInfo->tipCase) { case TIP_TIP: left = &localTree->strided_yVector[tInfo->qNumber][startIndex]; right = &localTree->strided_yVector[tInfo->rNumber][startIndex]; thisVector = &(localTree->parsimonyData[localTree->mySpan * (tInfo->pNumber - localTree->mxtips - 1)]); break; case TIP_INNER: left = &localTree->strided_yVector[tInfo->qNumber][startIndex]; rightVector = &(localTree->parsimonyData[localTree->mySpan * (tInfo->rNumber - localTree->mxtips - 1)]); thisVector = &(localTree->parsimonyData[localTree->mySpan * (tInfo->pNumber - localTree->mxtips - 1)]); break; case INNER_INNER: leftVector = &(localTree->parsimonyData[localTree->mySpan * (tInfo->qNumber - localTree->mxtips - 1)]); rightVector = &(localTree->parsimonyData[localTree->mySpan * (tInfo->rNumber - localTree->mxtips - 1)]); thisVector = &(localTree->parsimonyData[localTree->mySpan * (tInfo->pNumber - localTree->mxtips - 1)]); break; default: assert(0); } if(localTree->mixedData) { int i; for(i = 0; i < localTree->NumberOfModels; i++) { int l = localTree->partitionData[i].lower; int u = localTree->partitionData[i].upper; switch(localTree->partitionData[i].dataType) { case AA_DATA: newviewParsimonyPROT(tInfo, right, left, rightVector, leftVector, thisVector, l, u); break; case DNA_DATA: newviewParsimonyDNA(tInfo, right, left, rightVector, leftVector, thisVector, l, u); break; default: assert(0); } } } else { switch(localTree->partitionData[0].dataType) { case AA_DATA: newviewParsimonyPROT(tInfo, right, left, rightVector, leftVector, thisVector, 0, (endIndex- startIndex)); break; case DNA_DATA: newviewParsimonyDNA(tInfo, right, left, rightVector, leftVector, thisVector, 0, (endIndex - startIndex)); break; default: assert(0); } } } } int evaluateParsimonyIterative(tree *localTree, int lower, int upper) { int pNumber, qNumber, result; char *right = (char *)NULL; parsimonyVector *rightVector = (parsimonyVector *)NULL, *leftVector = (parsimonyVector *)NULL; pNumber = localTree->td[0].ti[0].pNumber; qNumber = localTree->td[0].ti[0].qNumber; newviewParsimonyIterative(localTree, lower, upper); if(isTip(pNumber, localTree->mxtips) || isTip(qNumber, localTree->mxtips)) { if(isTip(qNumber, localTree->mxtips)) { leftVector = &(localTree->parsimonyData[localTree->mySpan * (pNumber - localTree->mxtips - 1)]); right = &localTree->strided_yVector[qNumber][lower]; } else { leftVector = &(localTree->parsimonyData[localTree->mySpan * (qNumber - localTree->mxtips - 1)]); right = &localTree->strided_yVector[pNumber][lower]; } } else { leftVector = &(localTree->parsimonyData[localTree->mySpan * (pNumber - localTree->mxtips - 1)]); rightVector = &(localTree->parsimonyData[localTree->mySpan * (qNumber - localTree->mxtips - 1)]); } if(localTree->mixedData) { int i, partialResult = 0; for(i = 0; i < localTree->NumberOfModels; i++) { int l = localTree->partitionData[i].lower; int u = localTree->partitionData[i].upper; switch(localTree->partitionData[i].dataType) { case AA_DATA: partialResult += evalPROT(right, rightVector, leftVector, l, u, localTree->strided_aliaswgt); break; case DNA_DATA: partialResult += evalDNA(right, rightVector, leftVector, l, u, localTree->strided_aliaswgt); break; default: assert(0); } } result = partialResult; } else { switch(localTree->partitionData[0].dataType) { case AA_DATA: result = evalPROT(right, rightVector, leftVector, 0, (upper - lower), &(localTree->strided_aliaswgt[lower])); break; case DNA_DATA: result = evalDNA(right, rightVector, leftVector, 0, (upper - lower), &(localTree->strided_aliaswgt[lower])); break; default: assert(0); } } return result; } #else void newviewParsimonyIterative(tree *tr, int startIndex, int endIndex) { traversalInfo *ti = tr->td[0].ti; int i; for(i = 1; i < tr->td[0].count; i++) { traversalInfo *tInfo = &ti[i]; char *right = (char*)NULL, *left = (char*)NULL; parsimonyVector *rightVector = (parsimonyVector *)NULL, *leftVector = (parsimonyVector *)NULL, *thisVector = (parsimonyVector *)NULL; switch(tInfo->tipCase) { case TIP_TIP: left = tr->yVector[tInfo->qNumber]; right = tr->yVector[tInfo->rNumber]; thisVector = &(tr->parsimonyData[tr->parsimonyLength * (tInfo->pNumber - tr->mxtips - 1)]); break; case TIP_INNER: left = tr->yVector[tInfo->qNumber]; rightVector = &(tr->parsimonyData[tr->parsimonyLength * (tInfo->rNumber - tr->mxtips - 1)]); thisVector = &(tr->parsimonyData[tr->parsimonyLength * (tInfo->pNumber - tr->mxtips - 1)]); break; case INNER_INNER: leftVector = &(tr->parsimonyData[tr->parsimonyLength * (tInfo->qNumber - tr->mxtips - 1)]); rightVector = &(tr->parsimonyData[tr->parsimonyLength * (tInfo->rNumber - tr->mxtips - 1)]); thisVector = &(tr->parsimonyData[tr->parsimonyLength * (tInfo->pNumber - tr->mxtips - 1)]); break; default: assert(0); } if(tr->mixedData) { int i; for(i = 0; i < tr->NumberOfModels; i++) { int l = tr->partitionData[i].lower; int u = tr->partitionData[i].upper; switch(tr->partitionData[i].dataType) { case AA_DATA: newviewParsimonyPROT(tInfo, right, left, rightVector, leftVector, thisVector, l, u); break; case DNA_DATA: newviewParsimonyDNA(tInfo, right, left, rightVector, leftVector, thisVector, l, u); break; default: assert(0); } } } else { switch(tr->partitionData[0].dataType) { case AA_DATA: newviewParsimonyPROT(tInfo, right, left, rightVector, leftVector, thisVector, startIndex, endIndex); break; case DNA_DATA: newviewParsimonyDNA(tInfo, right, left, rightVector, leftVector, thisVector, startIndex, endIndex); break; default: assert(0); } } } } int evaluateParsimonyIterative(tree *tr, int lower, int upper) { int pNumber, qNumber, result; char *right = (char *)NULL; parsimonyVector *rightVector = (parsimonyVector *)NULL, *leftVector = (parsimonyVector *)NULL; pNumber = tr->td[0].ti[0].pNumber; qNumber = tr->td[0].ti[0].qNumber; newviewParsimonyIterative(tr, lower, upper); if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(isTip(qNumber, tr->rdta->numsp)) { leftVector = &(tr->parsimonyData[tr->parsimonyLength * (pNumber - tr->mxtips - 1)]); right = tr->yVector[qNumber]; } else { leftVector = &(tr->parsimonyData[tr->parsimonyLength * (qNumber - tr->mxtips - 1)]); right = tr->yVector[pNumber]; } } else { leftVector = &(tr->parsimonyData[tr->parsimonyLength * (pNumber - tr->mxtips - 1)]); rightVector = &(tr->parsimonyData[tr->parsimonyLength * (qNumber - tr->mxtips - 1)]); } if(tr->mixedData) { int i, partialResult = 0; for(i = 0; i < tr->NumberOfModels; i++) { int l = tr->partitionData[i].lower; int u = tr->partitionData[i].upper; switch(tr->partitionData[i].dataType) { case AA_DATA: partialResult += evalPROT(right, rightVector, leftVector, l, u, tr->cdta->aliaswgt); break; case DNA_DATA: partialResult += evalDNA(right, rightVector, leftVector, l, u, tr->cdta->aliaswgt); break; default: assert(0); } } result = partialResult; } else { switch(tr->partitionData[0].dataType) { case AA_DATA: result = evalPROT(right, rightVector, leftVector, lower, upper, tr->cdta->aliaswgt); break; case DNA_DATA: result = evalDNA(right, rightVector, leftVector, lower, upper, tr->cdta->aliaswgt); break; default: assert(0); } } return result; } #endif static int evaluateParsimony(tree *tr, nodeptr p) { int result; nodeptr q = p->back; tr->td[0].ti[0].pNumber = p->number; tr->td[0].ti[0].qNumber = q->number; tr->td[0].count = 1; if(!p->x) computeTraversalInfoParsimony(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp); if(!q->x) computeTraversalInfoParsimony(q, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp); #ifdef _USE_PTHREADS { int i; masterBarrier(THREAD_EVALUATE_PARSIMONY, tr); for(i = 0, result = 0; i < NumberOfThreads; i++) result += reductionBufferParsimony[i]; } #else result = evaluateParsimonyIterative(tr, 0, tr->parsimonyLength); #endif return result; } static void newviewParsimony(tree *tr, nodeptr p) { if(isTip(p->number, tr->rdta->numsp)) return; tr->td[0].count = 1; computeTraversalInfoParsimony(p, &(tr->td[0].ti[0]), &(tr->td[0].count), tr->rdta->numsp); if(tr->td[0].count > 1) { #ifdef _USE_PTHREADS masterBarrier(THREAD_NEWVIEW_PARSIMONY, tr); #else newviewParsimonyIterative(tr, 0, tr->parsimonyLength); #endif } } /****************************************************************************************************************************************/ static void initravParsimonyNormal(tree *tr, nodeptr p) { nodeptr q; if (! isTip(p->number, tr->rdta->numsp)) { q = p->next; do { initravParsimonyNormal(tr, q->back); q = q->next; } while (q != p); newviewParsimony(tr, p); } } static void initravParsimony(tree *tr, nodeptr p, int *constraintVector) { nodeptr q; if (! isTip(p->number, tr->rdta->numsp)) { q = p->next; do { initravParsimony(tr, q->back, constraintVector); q = q->next; } while (q != p); newviewParsimony(tr, p); } else constraintVector[p->number] = 1; } static void insertParsimony (tree *tr, nodeptr p, nodeptr q) { nodeptr r; r = q->back; hookupDefault(p->next, q, tr->numBranches); hookupDefault(p->next->next, r, tr->numBranches); newviewParsimony(tr, p); } static void insertRandom (nodeptr p, nodeptr q, int numBranches) { nodeptr r; r = q->back; hookupDefault(p->next, q, numBranches); hookupDefault(p->next->next, r, numBranches); } static nodeptr buildNewTip (tree *tr, nodeptr p) { nodeptr q; q = tr->nodep[(tr->nextnode)++]; hookupDefault(p, q, tr->numBranches); return q; } static void buildSimpleTree (tree *tr, int ip, int iq, int ir) { nodeptr p, s; int i; i = MIN(ip, iq); if (ir < i) i = ir; tr->start = tr->nodep[i]; tr->ntips = 3; p = tr->nodep[ip]; hookupDefault(p, tr->nodep[iq], tr->numBranches); s = buildNewTip(tr, tr->nodep[ir]); insertParsimony(tr, s, p); } static void buildSimpleTreeRandom (tree *tr, int ip, int iq, int ir) { nodeptr p, s; int i; i = MIN(ip, iq); if (ir < i) i = ir; tr->start = tr->nodep[i]; tr->ntips = 3; p = tr->nodep[ip]; hookupDefault(p, tr->nodep[iq], tr->numBranches); s = buildNewTip(tr, tr->nodep[ir]); insertRandom( s, p, tr->numBranches); } int checker(tree *tr, nodeptr p) { int group = tr->constraintVector[p->number]; if(isTip(p->number, tr->rdta->numsp)) { group = tr->constraintVector[p->number]; return group; } else { if(group != -9) return group; group = checker(tr, p->next->back); if(group != -9) return group; group = checker(tr, p->next->next->back); if(group != -9) return group; return -9; } } static void testInsertParsimony (tree *tr, nodeptr p, nodeptr q) { int mp; boolean doIt = TRUE; nodeptr r = q->back; if(tr->grouped) { int rNumber, qNumber, pNumber; doIt = FALSE; rNumber = tr->constraintVector[r->number]; qNumber = tr->constraintVector[q->number]; pNumber = tr->constraintVector[p->number]; if(pNumber == -9) pNumber = checker(tr, p->back); if(pNumber == -9) doIt = TRUE; else { if(qNumber == -9) qNumber = checker(tr, q); if(rNumber == -9) rNumber = checker(tr, r); if(pNumber == rNumber || pNumber == qNumber) doIt = TRUE; } } if(doIt) { insertParsimony(tr, p, q); mp = evaluateParsimony(tr, p->next->next); if(mp < tr->bestParsimony) { tr->bestParsimony = mp; tr->insertNode = q; tr->removeNode = p; } hookupDefault(q, r, tr->numBranches); p->next->next->back = p->next->back = (nodeptr) NULL; } return; } static void restoreTreeParsimony(tree *tr, nodeptr p, nodeptr q) { insertParsimony(tr, p, q); if(! isTip(p->number, tr->rdta->numsp) && isTip(q->number, tr->rdta->numsp)) { while ((! p->x)) { if (! (p->x)) newviewParsimony(tr, p); } } if(isTip(p->number, tr->rdta->numsp) && ! isTip(q->number, tr->rdta->numsp)) { while ((! q->x)) { if (! (q->x)) newviewParsimony(tr, q); } } if(! isTip(p->number, tr->rdta->numsp) && ! isTip(q->number, tr->rdta->numsp)) { while ((! p->x) || (! q->x)) { if (! (p->x)) newviewParsimony(tr, p); if (! (q->x)) newviewParsimony(tr, q); } } } static int markBranches(nodeptr *branches, nodeptr p, int *counter, int numsp) { if(isTip(p->number, numsp)) return 0; else { branches[*counter] = p->next; branches[*counter + 1] = p->next->next; *counter = *counter + 2; return ((2 + markBranches(branches, p->next->back, counter, numsp) + markBranches(branches, p->next->next->back, counter, numsp))); } } static void addTraverseParsimony (tree *tr, nodeptr p, nodeptr q, int mintrav, int maxtrav) { if (--mintrav <= 0) testInsertParsimony(tr, p, q); if ((! isTip(q->number, tr->rdta->numsp)) && (--maxtrav > 0)) { addTraverseParsimony(tr, p, q->next->back, mintrav, maxtrav); addTraverseParsimony(tr, p, q->next->next->back, mintrav, maxtrav); } } nodeptr findAnyTip(nodeptr p, int numsp) { return isTip(p->number, numsp) ? p : findAnyTip(p->next->back, numsp); } int randomInt(int n) { return rand() %n; } void makePermutation(int *perm, int n, analdef *adef) { int i, j, k; #ifdef PARALLEL srand((unsigned int) gettimeSrand()); #else if(adef->parsimonySeed == 0) srand((unsigned int) gettimeSrand()); #endif for (i = 1; i <= n; i++) perm[i] = i; for (i = 1; i <= n; i++) { #ifdef PARALLEL k = randomInt(n + 1 - i); #else if(adef->parsimonySeed == 0) k = randomInt(n + 1 - i); else k = (int)((double)(n + 1 - i) * randum(&adef->parsimonySeed)); #endif assert(i + k <= n); j = perm[i]; perm[i] = perm[i + k]; perm[i + k] = j; } /* for(i = 1; i <= n; i++) printf("%d ", perm[i]); printf("\n");*/ } static void initravDISTParsimony (tree *tr, nodeptr p, int distance) { nodeptr q; if (! isTip(p->number, tr->rdta->numsp) && distance > 0) { q = p->next; do { initravDISTParsimony(tr, q->back, --distance); q = q->next; } while (q != p); newviewParsimony(tr, p); } } static nodeptr removeNodeParsimony (nodeptr p, int numBranches) { nodeptr q, r; q = p->next->back; r = p->next->next->back; hookupDefault(q, r, numBranches); p->next->next->back = p->next->back = (node *) NULL; return q; } boolean tipHomogeneityChecker(tree *tr, nodeptr p, int grouping) { if(isTip(p->number, tr->rdta->numsp)) { if(tr->constraintVector[p->number] != grouping) return FALSE; else return TRUE; } else { return (tipHomogeneityChecker(tr, p->next->back, grouping) && tipHomogeneityChecker(tr, p->next->next->back,grouping)); } } static int rearrangeParsimony(tree *tr, nodeptr p, int mintrav, int maxtrav) { nodeptr p1, p2, q, q1, q2; int mintrav2; boolean doP = TRUE, doQ = TRUE; if (maxtrav < 1 || mintrav > maxtrav) return 0; q = p->back; if(tr->constrained) { if(! tipHomogeneityChecker(tr, p->back, 0)) doP = FALSE; if(! tipHomogeneityChecker(tr, q->back, 0)) doQ = FALSE; if(doQ == FALSE && doP == FALSE) return 0; } if (!isTip(p->number, tr->rdta->numsp) && doP) { p1 = p->next->back; p2 = p->next->next->back; if (! isTip(p1->number, tr->rdta->numsp) || ! isTip(p2->number, tr->rdta->numsp)) { removeNodeParsimony(p, tr->numBranches); if (! isTip(p1->number, tr->rdta->numsp)) { addTraverseParsimony(tr, p, p1->next->back, mintrav, maxtrav); addTraverseParsimony(tr, p, p1->next->next->back, mintrav, maxtrav); } if (! isTip(p2->number, tr->rdta->numsp)) { addTraverseParsimony(tr, p, p2->next->back, mintrav, maxtrav); addTraverseParsimony(tr, p, p2->next->next->back, mintrav, maxtrav); } hookupDefault(p->next, p1, tr->numBranches); hookupDefault(p->next->next, p2, tr->numBranches); initravDISTParsimony(tr, p, 1); } } if (! isTip(q->number, tr->rdta->numsp) && maxtrav > 0 && doQ) { q1 = q->next->back; q2 = q->next->next->back; if ( ( ! isTip(q1->number, tr->rdta->numsp) && (! isTip(q1->next->back->number, tr->rdta->numsp) || ! isTip(q1->next->next->back->number, tr->rdta->numsp)) ) || ( ! isTip(q2->number, tr->rdta->numsp) && (! isTip(q2->next->back->number, tr->rdta->numsp) || ! isTip(q2->next->next->back->number, tr->rdta->numsp)) ) ) { removeNodeParsimony(q, tr->numBranches); mintrav2 = mintrav > 2 ? mintrav : 2; if (! isTip(q1->number, tr->rdta->numsp)) { addTraverseParsimony(tr, q, q1->next->back, mintrav2 , maxtrav); addTraverseParsimony(tr, q, q1->next->next->back, mintrav2 , maxtrav); } if (! isTip(q2->number, tr->rdta->numsp)) { addTraverseParsimony(tr, q, q2->next->back, mintrav2 , maxtrav); addTraverseParsimony(tr, q, q2->next->next->back, mintrav2 , maxtrav); } hookupDefault(q->next, q1, tr->numBranches); hookupDefault(q->next->next, q2, tr->numBranches); initravDISTParsimony(tr, q, 1); } } return 1; } static void restoreTreeRearrangeParsimony(tree *tr) { removeNodeParsimony(tr->removeNode, tr->numBranches); restoreTreeParsimony(tr, tr->removeNode, tr->insertNode); } static void allocNodexParsimony(tree *tr) { nodeptr p; int i; #ifdef _LOCAL_DATA masterBarrier(THREAD_PREPARE_PARSIMONY, tr); #else tr->parsimonyData = (parsimonyVector *)malloc(sizeof(parsimonyVector) * tr->mxtips * tr->parsimonyLength); #endif for (i = tr->mxtips + 1; (i <= 2*(tr->mxtips) - 2); i++) { p = tr->nodep[i]; p->x = 1; p->next->x = 0; p->next->next->x = 0; } } static void freeNodexParsimony (tree *tr) { nodeptr p; int i; #ifdef _LOCAL_DATA masterBarrier(THREAD_FINISH_PARSIMONY, tr); #else free(tr->parsimonyData); #endif for (i = tr->mxtips + 1; (i <= 2*(tr->mxtips) - 2); i++) { p = tr->nodep[i]; while(!p->x) p = p->next; p->x = 0; } } #ifdef WIN32 static void switchTipEntries(int number, int position1, int position2, char *y0, int originalCrunchedLength, int numsp) #else static inline void switchTipEntries(int number, int position1, int position2, char *y0, int originalCrunchedLength, int numsp) #endif { char buf; char *ref = &y0[originalCrunchedLength * (number - 1)]; assert(number <= numsp && number > 0); assert(position1 < originalCrunchedLength && position2 < originalCrunchedLength); assert(position1 >= 0 && position2 >= 0); buf = ref[position1]; ref[position1] = ref[position2]; ref[position2] = buf; } static void sortInformativeSites(tree *tr, int *informative) { int i, l, j; for(i = 0; i < tr->rdta->numsp; i++) { char *yPos = &(tr->rdta->y0[tr->originalCrunchedLength * i]); for(j = 0, l = 0; j < tr->cdta->endsite; j++) { if(informative[j]) { yPos[l++] = yPos[j]; } } } for(j = 0, l = 0; j < tr->cdta->endsite; j++) { if(informative[j]) { tr->cdta->aliaswgt[l] = tr->cdta->aliaswgt[j]; tr->model[l] = tr->model[j]; tr->dataVector[l] = tr->dataVector[j]; l++; } } } /* TODO should re-visit this one day, not sure that I am getting all uninformative sites */ static void determineUninformativeSites(tree *tr, int *informative) { int i, j; int check[23]; int nucleotide; int informativeCounter; int number = 0; /* Not all characters are useful in constructing a parsimony tree. Invariant characters, those that have the same state in all taxa, are obviously useless and are ignored by the method. Characters in which a state occurs in only one taxon are also ignored. All these characters are called parsimony uninformative. */ for(i = 0; i < tr->cdta->endsite; i++) { switch(tr->dataVector[i]) { case AA_DATA: for(j = 0; j < 23; j++) check[j] = 0; for(j = 1; j <= tr->mxtips; j++) { nucleotide = tr->yVector[tr->nodep[j]->number][i]; check[nucleotide] = check[nucleotide] + 1; assert(nucleotide < 23 && nucleotide >= 0); } informativeCounter = 0; for(j = 0; j < 22; j++) { if(check[j] > 0) informativeCounter++; } if(informativeCounter <= 1) { informative[i] = 0; number++; } else { boolean isInformative = FALSE; for(j = 0; j < 22 && !(isInformative); j++) { if(check[j] > 1) isInformative = TRUE; } if(isInformative) informative[i] = 1; else { informative[i] = 0; number++; } } break; case DNA_DATA: for(j = 1; j < 16; j++) check[j] = 0; for(j = 1; j <= tr->mxtips; j++) { nucleotide = tr->yVector[tr->nodep[j]->number][i]; check[nucleotide] = check[nucleotide] + 1; assert(nucleotide < 16 && nucleotide >= 0); } informativeCounter = 0; for(j = 1; j < 15; j++) { if(check[j] > 0) informativeCounter++; } if(informativeCounter <= 1) { informative[i] = 0; number++; } else { boolean isInformative = FALSE; for(j = 1; j < 15 && !(isInformative); j++) { if(check[j] > 1) isInformative = TRUE; } if(isInformative) informative[i] = 1; else { informative[i] = 0; number++; } } break; default: assert(0); } } sortInformativeSites(tr, informative); /*printf("Uninformative Patterns: %d\n", number);*/ tr->parsimonyLength = tr->cdta->endsite - number; } void makeRandomTree(tree *tr, analdef *adef) { nodeptr p, f, randomBranch; int nextsp; int *perm, branchCounter; nodeptr *branches; branches = (nodeptr *)malloc(sizeof(nodeptr) * (2 * tr->mxtips)); perm = (int *)malloc((tr->mxtips + 1) * sizeof(int)); makePermutation(perm, tr->mxtips, adef); tr->ntips = 0; tr->nextnode = tr->mxtips + 1; buildSimpleTreeRandom(tr, perm[1], perm[2], perm[3]); while (tr->ntips < tr->mxtips) { tr->bestParsimony = INT_MAX; nextsp = ++(tr->ntips); p = tr->nodep[perm[nextsp]]; /*printf("ADDING SPECIES %d\n", nextsp);*/ buildNewTip(tr, p); f = findAnyTip(tr->start, tr->rdta->numsp); f = f->back; branchCounter = 1; branches[0] = f; markBranches(branches, f, &branchCounter, tr->rdta->numsp); assert(branchCounter == ((2 * (tr->ntips - 1)) - 3)); randomBranch = branches[randomInt(branchCounter)]; insertRandom(p->back, randomBranch, tr->numBranches); } free(perm); free(branches); } static void reorderNodes(tree *tr, nodeptr *np, nodeptr p, int *count) { int i, found = 0; if(isTip(p->number, tr->rdta->numsp)) return; else { for(i = tr->mxtips + 1; (i <= (tr->mxtips + tr->mxtips - 1)) && (found == 0); i++) { if (p == np[i] || p == np[i]->next || p == np[i]->next->next) { if(p == np[i]) tr->nodep[*count + tr->mxtips + 1] = np[i]; else { if(p == np[i]->next) tr->nodep[*count + tr->mxtips + 1] = np[i]->next; else tr->nodep[*count + tr->mxtips + 1] = np[i]->next->next; } found = 1; *count = *count + 1; } } assert(found != 0); reorderNodes(tr, np, p->next->back, count); reorderNodes(tr, np, p->next->next->back, count); } } void nodeRectifier(tree *tr) { nodeptr *np = (nodeptr *)malloc(2 * tr->mxtips * sizeof(nodeptr)); int i; int count = 0; tr->start = tr->nodep[1]; tr->rooted = FALSE; /* TODO why is tr->rooted set to FALSE here ?*/ for(i = tr->mxtips + 1; i <= (tr->mxtips + tr->mxtips - 1); i++) np[i] = tr->nodep[i]; reorderNodes(tr, np, tr->start->back, &count); free(np); } void makeParsimonyTree(tree *tr, analdef *adef) { nodeptr p, f; int i, nextsp, mintrav, maxtrav, randomMP, startMP; int *perm, *informative, *aliaswgt, *model, *dataVector; char *parsimonyBuffer; /* stuff for informative sites */ informative = (int *)malloc(sizeof(int) * tr->cdta->endsite); aliaswgt = (int *)malloc(sizeof(int) * tr->cdta->endsite); memcpy(aliaswgt, tr->cdta->aliaswgt, sizeof(int) * tr->cdta->endsite); model = (int *)malloc(sizeof(int) * tr->cdta->endsite); memcpy(model, tr->model, sizeof(int) * tr->cdta->endsite); dataVector = (int *)malloc(sizeof(int) * tr->cdta->endsite); memcpy(dataVector, tr->dataVector, sizeof(int) * tr->cdta->endsite); parsimonyBuffer = (char *)malloc(tr->originalCrunchedLength * tr->rdta->numsp * sizeof(char)); memcpy(parsimonyBuffer, tr->rdta->y0, tr->originalCrunchedLength * tr->rdta->numsp * sizeof(char)); /* end */ perm = (int *)malloc((tr->mxtips + 1) * sizeof(int)); determineUninformativeSites(tr, informative); fixModelIndices(tr, adef, tr->parsimonyLength); makePermutation(perm, tr->mxtips, adef); allocNodexParsimony(tr); tr->ntips = 0; tr->nextnode = tr->mxtips + 1; buildSimpleTree(tr, perm[1], perm[2], perm[3]); while (tr->ntips < tr->mxtips) { tr->bestParsimony = INT_MAX; nextsp = ++(tr->ntips); p = tr->nodep[perm[nextsp]]; /* printf("ADDING SPECIES %d\n", p->number); */ buildNewTip(tr, p); f = findAnyTip(tr->start, tr->rdta->numsp); f = f->back; addTraverseParsimony(tr, p->back, f, 1, tr->ntips - 2); restoreTreeParsimony(tr, p->back, tr->insertNode); /* printf("MP %d\n", tr->bestParsimony); */ assert(INT_MAX - tr->bestParsimony >= 1000); } free(perm); nodeRectifier(tr); initravParsimonyNormal(tr, tr->start); initravParsimonyNormal(tr, tr->start->back); mintrav = 1; maxtrav = 20; randomMP = tr->bestParsimony; do { startMP = randomMP; for(i = 1; i <= tr->mxtips + tr->mxtips - 2; i++) { rearrangeParsimony(tr, tr->nodep[i], mintrav, maxtrav); if(tr->bestParsimony < randomMP) { restoreTreeRearrangeParsimony(tr); randomMP = tr->bestParsimony; } } } while(randomMP < startMP); /* printf("REARRANGEMENT MP Score %d Time %f\n", tr->bestParsimony, gettime() - masterTime); */ nodeRectifier(tr); /* repair */ memcpy(tr->cdta->aliaswgt, aliaswgt, sizeof(int) * tr->cdta->endsite); memcpy(tr->model, model , sizeof(int) * tr->cdta->endsite); memcpy(tr->dataVector, dataVector, sizeof(int) * tr->cdta->endsite); memcpy(tr->rdta->y0, parsimonyBuffer, tr->originalCrunchedLength * tr->rdta->numsp * sizeof(char)); fixModelIndices(tr, adef, tr->cdta->endsite); /* for(i = 0; i < tr->NumberOfModels; i++) printf("%d: %d %d\n", i, tr->modelIndices[i][0], tr->modelIndices[i][1]); printf("%d: %d %d\n", i, tr->partitionData[i].lower, tr->partitionData[i].upper); */ /* repair end */ free(informative); free(parsimonyBuffer); free(model); free(dataVector); free(aliaswgt); freeNodexParsimony(tr); } void makeParsimonyTreeIncomplete(tree *tr, analdef *adef) { nodeptr p, f; int i, j, k, nextsp, mintrav, maxtrav, randomMP, startMP; int *perm, *informative, *aliaswgt, *model, *dataVector; char *parsimonyBuffer; /* stuff for informative sites */ informative = (int *)malloc(sizeof(int) * tr->cdta->endsite); aliaswgt = (int *)malloc(sizeof(int) * tr->cdta->endsite); memcpy(aliaswgt, tr->cdta->aliaswgt, sizeof(int) * tr->cdta->endsite); model = (int *)malloc(sizeof(int) * tr->cdta->endsite); memcpy(model, tr->model, sizeof(int) * tr->cdta->endsite); dataVector = (int *)malloc(sizeof(int) * tr->cdta->endsite); memcpy(dataVector, tr->dataVector, sizeof(int) * tr->cdta->endsite); parsimonyBuffer = (char *)malloc(tr->originalCrunchedLength * tr->rdta->numsp * sizeof(char)); memcpy(parsimonyBuffer, tr->rdta->y0, tr->originalCrunchedLength * tr->rdta->numsp * sizeof(char)); /* end */ perm = (int *)malloc((tr->mxtips + 1) * sizeof(int)); if(!tr->grouped) { for(i = 1; i <= tr->mxtips; i++) tr->constraintVector[i] = 0; } determineUninformativeSites(tr, informative); fixModelIndices(tr, adef, tr->parsimonyLength); allocNodexParsimony(tr); if(!tr->grouped) { initravParsimony(tr, tr->start, tr->constraintVector); initravParsimony(tr, tr->start->back, tr->constraintVector); } else { initravParsimonyNormal(tr, tr->start); initravParsimonyNormal(tr, tr->start->back); } /* printf("Incomplete Parsimony score %d\n", evaluateParsimony(tr, tr->start)); */ j = tr->ntips + 1; if(!tr->grouped) { for(i = 1; i <= tr->mxtips; i++) if(tr->constraintVector[i] == 0) perm[j++] = i; } else { for(i = 1; i <= tr->mxtips; i++) { if(tr->constraintVector[i] == -1) { perm[j++] = i; tr->constraintVector[i] = -9; } } } #ifdef PARALLEL srand((unsigned int) gettimeSrand()); #else if(adef->parsimonySeed == 0) srand((unsigned int) gettimeSrand()); #endif for (i = tr->ntips + 1; i <= tr->mxtips; i++) { #ifdef PARALLEL k = randomInt(tr->mxtips + 1 - i); #else if(adef->parsimonySeed == 0) k = randomInt(tr->mxtips + 1 - i); else k = (int)((double)(tr->mxtips + 1 - i) * randum(&adef->parsimonySeed)); #endif assert(i + k <= tr->mxtips); j = perm[i]; perm[i] = perm[i + k]; perm[i + k] = j; } #ifdef DEBUG_CONSTRAINTS for(i = 1; i <= tr->mxtips; i++) printf("TIP %s %d\n", tr->nameList[i], tr->constraintVector[i]); #endif while (tr->ntips < tr->mxtips) { tr->bestParsimony = INT_MAX; nextsp = ++(tr->ntips); p = tr->nodep[perm[nextsp]]; /*printf("ADDING SPECIES %d %s\n", perm[nextsp], tr->nameList[perm[nextsp]]);*/ buildNewTip(tr, p); if(tr->grouped) { int number = p->back->number; tr->constraintVector[number] = -9; } f = findAnyTip(tr->start, tr->rdta->numsp); f = f->back; if(tr->grouped) { tr->grouped = FALSE; addTraverseParsimony(tr, p->back, f, 1, tr->ntips - 2); tr->grouped = TRUE; } else addTraverseParsimony(tr, p->back, f, 1, tr->ntips - 2); restoreTreeParsimony(tr, p->back, tr->insertNode); /* printf("MP %d\n", tr->bestParsimony); */ assert(INT_MAX - tr->bestParsimony >= 1000); } free(perm); /* printf("RANDOM ADDITION MP Score %d Time %f\n", tr->bestParsimony, gettime() - masterTime); */ nodeRectifier(tr); initravParsimonyNormal(tr, tr->start); initravParsimonyNormal(tr, tr->start->back); if(adef->mode != PARSIMONY_ADDITION) { mintrav = 1; maxtrav = 20; randomMP = tr->bestParsimony; do { startMP = randomMP; for(i = 1; i <= tr->mxtips + tr->mxtips - 2; i++) { if(rearrangeParsimony(tr, tr->nodep[i], mintrav, maxtrav)) { if(tr->bestParsimony < randomMP) { restoreTreeRearrangeParsimony(tr); randomMP = tr->bestParsimony; } } } } while(randomMP < startMP); /*printf("REARRANGEMENT MP Score %d Time %f\n", tr->bestParsimony, gettime() - masterTime);*/ } else { return; } nodeRectifier(tr); /* repair */ memcpy(tr->cdta->aliaswgt, aliaswgt, sizeof(int) * tr->cdta->endsite); memcpy(tr->model, model , sizeof(int) * tr->cdta->endsite); memcpy(tr->dataVector, dataVector, sizeof(int) * tr->cdta->endsite); memcpy(tr->rdta->y0, parsimonyBuffer, tr->originalCrunchedLength * tr->rdta->numsp * sizeof(char)); fixModelIndices(tr, adef, tr->cdta->endsite); /* repair end */ free(informative); free(parsimonyBuffer); free(model); free(dataVector); free(aliaswgt); freeNodexParsimony(tr); } ./arbsrc_9167/GDE/RAxML/rev_functions.c0000644012664100000130000001017511213220010017473 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #include #include #include #include "axml.h" void tred2 (double *a, const int n, const int np, double *d, double *e) { #define a(i,j) a[(j-1)*np + (i-1)] #define e(i) e[i-1] #define d(i) d[i-1] int i, j, k, l; double f, g, h, hh, scale; for (i = n; i > 1; i--) { l = i-1; h = 0; scale = 0; if ( l > 1 ) { for ( k = 1; k <= l; k++ ) scale += fabs(a(i,k)); if (scale == 0) e(i) = a(i,l); else { for (k = 1; k <= l; k++) { a(i,k) /= scale; h += a(i,k) * a(i,k); } f = a(i,l); g = -sqrt(h); if (f < 0) g = -g; e(i) = scale *g; h -= f*g; a(i,l) = f-g; f = 0; for (j = 1; j <=l ; j++) { a(j,i) = a(i,j) / h; g = 0; for (k = 1; k <= j; k++) g += a(j,k)*a(i,k); for (k = j+1; k <= l; k++) g += a(k,j)*a(i,k); e(j) = g/h; f += e(j)*a(i,j); } hh = f/(h+h); for (j = 1; j <= l; j++) { f = a(i,j); g = e(j) - hh * f; e(j) = g; for (k = 1; k <= j; k++) a(j,k) -= f*e(k) + g*a(i,k); } } } else e(i) = a(i,l); d(i) = h; } d(1) = 0; e(1) = 0; for (i = 1; i <= n; i++) { l = i-1; if (d(i) != 0) { for (j = 1; j <=l; j++) { g = 0; for (k = 1; k <= l; k++) g += a(i,k)*a(k,j); for (k=1; k <=l; k++) a(k,j) -= g * a(k,i); } } d(i) = a(i,i); a(i,i) = 1; for (j=1; j<=l; j++) a(i,j) = a(j,i) = 0; } return; #undef a #undef e #undef d } double pythag(double a, double b) { double absa = fabs(a), absb = fabs(b); return (absa > absb) ? absa * sqrt(1+ (absb/absa)*(absb/absa)) : absb == 0 ? 0 : absb * sqrt(1+ (absa/absb)*(absa/absb)); } void tqli(double *d, double *e, int n, int np, double *z) { #define z(i,j) z[(j-1)*np + (i-1)] #define e(i) e[i-1] #define d(i) d[i-1] int i = 0, iter = 0, k = 0, l = 0, m = 0; double b = 0, c = 0, dd = 0, f = 0, g = 0, p = 0, r = 0, s = 0; for(i=2; i<=n; i++) e(i-1) = e(i); e(n) = 0; for (l = 1; l <= n; l++) { iter = 0; labelExtra: for (m = l; (m < n); m++) { dd = fabs(d(m))+fabs(d(m+1)); if (fabs(e(m))+dd == dd) break; } if (m != l) { assert(iter < 30); iter++; g = (d(l+1)-d(l))/(2*e(l)); r = pythag(g,1.); g = d(m)-d(l)+e(l)/(g+(g<0?-r:r)); s = 1; c = 1; p = 0; for (i = m-1; i>=l; i--) { f = s*e(i); b = c*e(i); r = pythag(f,g); e(i+1) = r; if (r == 0) { d (i+1) -= p; e (m) = 0; goto labelExtra; } s = f/r; c = g/r; g = d(i+1)-p; r = (d(i)-g)*s + 2*c*b; p = s*r; d(i+1) = g + p; g = c*r - b; for (k=1; k <= n; k++) { f = z(k,i+1); z(k,i+1) = s * z(k,i) + c*f; z(k,i) = c * z(k,i) - s*f; } } d(l) -= p; e(l) = g; e(m) = 0; goto labelExtra; } } return; #undef z #undef e #undef d } ./arbsrc_9167/GDE/RAxML/searchAlgo.c0000644012664100000130000022555411213220010016670 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include "axml.h" extern int Thorough; extern infoList iList; extern char inverseMeaningDNA[16]; extern char seq_file[1024]; extern char resultFileName[1024]; extern char tree_file[1024]; extern FILE *INFILE; boolean initrav (tree *tr, nodeptr p) { nodeptr q; if (!isTip(p->number, tr->rdta->numsp)) { q = p->next; do { if (! initrav(tr, q->back)) return FALSE; q = q->next; } while (q != p); newviewGeneric(tr, p); } return TRUE; } boolean initravDIST (tree *tr, nodeptr p, int distance) { nodeptr q; if (/*! p->tip*/ !isTip(p->number, tr->rdta->numsp) && distance > 0) { q = p->next; do { if (! initravDIST(tr, q->back, --distance)) return FALSE; q = q->next; } while (q != p); newviewGeneric(tr, p); } return TRUE; } /* initrav */ void initravPartition (tree *tr, nodeptr p, int model) { nodeptr q; if (/*!p->tip*/ !isTip(p->number, tr->rdta->numsp)) { q = p->next; do { initravPartition(tr, q->back, model); q = q->next; } while (q != p); newviewPartitionGeneric(tr, p, model); } } boolean update(tree *tr, nodeptr p) { nodeptr q; boolean smoothed; int i; double z[NUM_BRANCHES], z0[NUM_BRANCHES]; q = p->back; for(i = 0; i < tr->numBranches; i++) z0[i] = q->z[i]; makenewzGeneric(tr, p, q, z0, newzpercycle, z); smoothed = tr->smoothed; for(i = 0; i < tr->numBranches; i++) { if(ABS(z[i] - z0[i]) > deltaz) smoothed = FALSE; p->z[i] = q->z[i] = z[i]; } tr->smoothed = smoothed; return TRUE; } boolean smooth (tree *tr, nodeptr p) { nodeptr q; if (! update(tr, p)) return FALSE; /* Adjust branch */ if (! isTip(p->number, tr->rdta->numsp)) { /* Adjust descendants */ q = p->next; while (q != p) { if (! smooth(tr, q->back)) return FALSE; q = q->next; } newviewGeneric(tr, p); } return TRUE; } boolean smoothTree (tree *tr, int maxtimes) { nodeptr p, q; p = tr->start; while (--maxtimes >= 0) { tr->smoothed = TRUE; if (! smooth(tr, p->back)) return FALSE; if (!isTip(p->number, tr->rdta->numsp)) { q = p->next; while (q != p) { if (! smooth(tr, q->back)) return FALSE; q = q->next; } } if (tr->smoothed) break; } return TRUE; } boolean localSmooth (tree *tr, nodeptr p, int maxtimes) { nodeptr q; if (/*p->tip*/ isTip(p->number, tr->rdta->numsp)) return FALSE; /* Should be an error */ while (--maxtimes >= 0) { tr->smoothed = TRUE; q = p; do { if (! update(tr, q)) return FALSE; q = q->next; } while (q != p); if (tr->smoothed) break; } tr->smoothed = FALSE; /* Only smooth locally */ return TRUE; } static void resetInfoList(void) { int i; iList.valid = 0; for(i = 0; i < iList.n; i++) { iList.list[i].node = (nodeptr)NULL; iList.list[i].likelihood = unlikely; } } void initInfoList(int n) { int i; iList.n = n; iList.valid = 0; iList.list = (bestInfo *)malloc(sizeof(bestInfo) * n); for(i = 0; i < n; i++) { iList.list[i].node = (nodeptr)NULL; iList.list[i].likelihood = unlikely; } } void freeInfoList(void) { free(iList.list); } void insertInfoList(nodeptr node, double likelihood) { int i; int min = 0; double min_l = iList.list[0].likelihood; for(i = 1; i < iList.n; i++) { if(iList.list[i].likelihood < min_l) { min = i; min_l = iList.list[i].likelihood; } } if(likelihood > min_l) { iList.list[min].likelihood = likelihood; iList.list[min].node = node; iList.valid += 1; } if(iList.valid > iList.n) iList.valid = iList.n; } boolean smoothRegion (tree *tr, nodeptr p, int region) { nodeptr q; if (! update(tr, p)) return FALSE; /* Adjust branch */ if(region > 0) { if (/*! p->tip*/ !isTip(p->number, tr->rdta->numsp)) { q = p->next; while (q != p) { if (! smoothRegion(tr, q->back, --region)) return FALSE; q = q->next; } newviewGeneric(tr, p); } } return TRUE; } boolean regionalSmooth (tree *tr, nodeptr p, int maxtimes, int region) { nodeptr q; if (isTip(p->number, tr->rdta->numsp)) return FALSE; /* Should be an error */ while (--maxtimes >= 0) { tr->smoothed = TRUE; q = p; do { if (! smoothRegion(tr, q, region)) return FALSE; q = q->next; } while (q != p); if (tr->smoothed) break; } tr->smoothed = FALSE; /* Only smooth locally */ return TRUE; } /* localSmooth */ nodeptr removeNodeBIG (tree *tr, nodeptr p, int numBranches) { double zqr[NUM_BRANCHES], result[NUM_BRANCHES]; nodeptr q, r; int i; q = p->next->back; r = p->next->next->back; for(i = 0; i < numBranches; i++) zqr[i] = q->z[i] * r->z[i]; makenewzGeneric(tr, q, r, zqr, iterations, result); for(i = 0; i < numBranches; i++) tr->zqr[i] = result[i]; hookup(q, r, result, numBranches); p->next->next->back = p->next->back = (node *) NULL; return q; } nodeptr removeNodeRestoreBIG (tree *tr, nodeptr p) { nodeptr q, r; q = p->next->back; r = p->next->next->back; newviewGeneric(tr, q); newviewGeneric(tr, r); hookup(q, r, tr->currentZQR, tr->numBranches); p->next->next->back = p->next->back = (node *) NULL; return q; } boolean insertBIG (tree *tr, nodeptr p, nodeptr q, int numBranches) { nodeptr r, s; int i; r = q->back; s = p->back; for(i = 0; i < numBranches; i++) tr->lzi[i] = q->z[i]; if(Thorough) { double zqr[NUM_BRANCHES], zqs[NUM_BRANCHES], zrs[NUM_BRANCHES], lzqr, lzqs, lzrs, lzsum, lzq, lzr, lzs, lzmax; double defaultArray[NUM_BRANCHES]; double e1[NUM_BRANCHES], e2[NUM_BRANCHES], e3[NUM_BRANCHES]; double *qz; qz = q->z; for(i = 0; i < numBranches; i++) defaultArray[i] = defaultz; makenewzGeneric(tr, q, r, qz, iterations, zqr); makenewzGeneric(tr, q, s, defaultArray, iterations, zqs); makenewzGeneric(tr, r, s, defaultArray, iterations, zrs); for(i = 0; i < numBranches; i++) { lzqr = (zqr[i] > zmin) ? log(zqr[i]) : log(zmin); lzqs = (zqs[i] > zmin) ? log(zqs[i]) : log(zmin); lzrs = (zrs[i] > zmin) ? log(zrs[i]) : log(zmin); lzsum = 0.5 * (lzqr + lzqs + lzrs); lzq = lzsum - lzrs; lzr = lzsum - lzqs; lzs = lzsum - lzqr; lzmax = log(zmax); if (lzq > lzmax) {lzq = lzmax; lzr = lzqr; lzs = lzqs;} else if (lzr > lzmax) {lzr = lzmax; lzq = lzqr; lzs = lzrs;} else if (lzs > lzmax) {lzs = lzmax; lzq = lzqs; lzr = lzrs;} e1[i] = exp(lzq); e2[i] = exp(lzr); e3[i] = exp(lzs); } hookup(p->next, q, e1, numBranches); hookup(p->next->next, r, e2, numBranches); hookup(p, s, e3, numBranches); } else { double z[NUM_BRANCHES]; for(i = 0; i < numBranches; i++) { z[i] = sqrt(q->z[i]); if(z[i] < zmin) z[i] = zmin; if(z[i] > zmax) z[i] = zmax; } hookup(p->next, q, z, tr->numBranches); hookup(p->next->next, r, z, tr->numBranches); } newviewGeneric(tr, p); if(Thorough) { localSmooth(tr, p, smoothings); for(i = 0; i < numBranches; i++) { tr->lzq[i] = p->next->z[i]; tr->lzr[i] = p->next->next->z[i]; tr->lzs[i] = p->z[i]; } } return TRUE; } boolean insertRestoreBIG (tree *tr, nodeptr p, nodeptr q) { nodeptr r, s; r = q->back; s = p->back; if(Thorough) { hookup(p->next, q, tr->currentLZQ, tr->numBranches); hookup(p->next->next, r, tr->currentLZR, tr->numBranches); hookup(p, s, tr->currentLZS, tr->numBranches); } else { double z[NUM_BRANCHES]; int i; for(i = 0; i < tr->numBranches; i++) { double zz; zz = sqrt(q->z[i]); if(zz < zmin) zz = zmin; if(zz > zmax) zz = zmax; z[i] = zz; } hookup(p->next, q, z, tr->numBranches); hookup(p->next->next, r, z, tr->numBranches); } newviewGeneric(tr, p); return TRUE; } void restoreTopologyOnly(tree *tr, bestlist *bt) { nodeptr p = tr->removeNode; nodeptr q = tr->insertNode; double qz[NUM_BRANCHES], pz[NUM_BRANCHES], p1z[NUM_BRANCHES], p2z[NUM_BRANCHES]; nodeptr p1, p2, r, s; double currentLH = tr->likelihood; int i; p1 = p->next->back; p2 = p->next->next->back; for(i = 0; i < tr->numBranches; i++) { p1z[i] = p1->z[i]; p2z[i] = p2->z[i]; } hookup(p1, p2, tr->currentZQR, tr->numBranches); p->next->next->back = p->next->back = (node *) NULL; for(i = 0; i < tr->numBranches; i++) { qz[i] = q->z[i]; pz[i] = p->z[i]; } r = q->back; s = p->back; if(Thorough) { hookup(p->next, q, tr->currentLZQ, tr->numBranches); hookup(p->next->next, r, tr->currentLZR, tr->numBranches); hookup(p, s, tr->currentLZS, tr->numBranches); } else { double z[NUM_BRANCHES]; for(i = 0; i < tr->numBranches; i++) { z[i] = sqrt(q->z[i]); if(z[i] < zmin) z[i] = zmin; if(z[i] > zmax) z[i] = zmax; } hookup(p->next, q, z, tr->numBranches); hookup(p->next->next, r, z, tr->numBranches); } tr->likelihood = tr->bestOfNode; saveBestTree(bt, tr); tr->likelihood = currentLH; hookup(q, r, qz, tr->numBranches); p->next->next->back = p->next->back = (nodeptr) NULL; if(Thorough) hookup(p, s, pz, tr->numBranches); hookup(p->next, p1, p1z, tr->numBranches); hookup(p->next->next, p2, p2z, tr->numBranches); } boolean testInsertBIG (tree *tr, nodeptr p, nodeptr q) { double qz[NUM_BRANCHES], pz[NUM_BRANCHES]; nodeptr r; boolean doIt = TRUE; double startLH = tr->endLH; int i; r = q->back; for(i = 0; i < tr->numBranches; i++) { qz[i] = q->z[i]; pz[i] = p->z[i]; } if(tr->grouped) { int rNumber, qNumber, pNumber; doIt = FALSE; rNumber = tr->constraintVector[r->number]; qNumber = tr->constraintVector[q->number]; pNumber = tr->constraintVector[p->number]; if(pNumber == -9) pNumber = checker(tr, p->back); if(pNumber == -9) doIt = TRUE; else { if(qNumber == -9) qNumber = checker(tr, q); if(rNumber == -9) rNumber = checker(tr, r); if(pNumber == rNumber || pNumber == qNumber) doIt = TRUE; } } if(doIt) { if (! insertBIG(tr, p, q, tr->numBranches)) return FALSE; evaluateGeneric(tr, p->next->next); if(tr->likelihood > tr->bestOfNode) { tr->bestOfNode = tr->likelihood; tr->insertNode = q; tr->removeNode = p; for(i = 0; i < tr->numBranches; i++) { tr->currentZQR[i] = tr->zqr[i]; tr->currentLZR[i] = tr->lzr[i]; tr->currentLZQ[i] = tr->lzq[i]; tr->currentLZS[i] = tr->lzs[i]; } } if(tr->likelihood > tr->endLH) { tr->insertNode = q; tr->removeNode = p; for(i = 0; i < tr->numBranches; i++) tr->currentZQR[i] = tr->zqr[i]; tr->endLH = tr->likelihood; } hookup(q, r, qz, tr->numBranches); p->next->next->back = p->next->back = (nodeptr) NULL; if(Thorough) { nodeptr s = p->back; hookup(p, s, pz, tr->numBranches); } if((tr->doCutoff) && (tr->likelihood < startLH)) { tr->lhAVG += (startLH - tr->likelihood); tr->lhDEC++; if((startLH - tr->likelihood) >= tr->lhCutoff) return FALSE; else return TRUE; } else return TRUE; } else return TRUE; } void addTraverseBIG(tree *tr, nodeptr p, nodeptr q, int mintrav, int maxtrav) { if (--mintrav <= 0) { if (! testInsertBIG(tr, p, q)) return; } if ((!isTip(q->number, tr->rdta->numsp)) && (--maxtrav > 0)) { addTraverseBIG(tr, p, q->next->back, mintrav, maxtrav); addTraverseBIG(tr, p, q->next->next->back, mintrav, maxtrav); } } int rearrangeBIG(tree *tr, nodeptr p, int mintrav, int maxtrav) { double p1z[NUM_BRANCHES], p2z[NUM_BRANCHES], q1z[NUM_BRANCHES], q2z[NUM_BRANCHES]; nodeptr p1, p2, q, q1, q2; int mintrav2, i; boolean doP = TRUE, doQ = TRUE; if (maxtrav < 1 || mintrav > maxtrav) return 0; q = p->back; if(tr->constrained) { if(! tipHomogeneityChecker(tr, p->back, 0)) doP = FALSE; if(! tipHomogeneityChecker(tr, q->back, 0)) doQ = FALSE; if(doQ == FALSE && doP == FALSE) return 0; } if (/*!p->tip*/ !isTip(p->number, tr->rdta->numsp) && doP) { p1 = p->next->back; p2 = p->next->next->back; /*if (! p1->tip || ! p2->tip) */ if(!isTip(p1->number, tr->rdta->numsp) || !isTip(p2->number, tr->rdta->numsp)) { for(i = 0; i < tr->numBranches; i++) { p1z[i] = p1->z[i]; p2z[i] = p2->z[i]; } if (! removeNodeBIG(tr, p, tr->numBranches)) return badRear; if (/*! p1->tip*/ !isTip(p1->number, tr->rdta->numsp)) { addTraverseBIG(tr, p, p1->next->back, mintrav, maxtrav); addTraverseBIG(tr, p, p1->next->next->back, mintrav, maxtrav); } if (/*! p2->tip*/ !isTip(p2->number, tr->rdta->numsp)) { addTraverseBIG(tr, p, p2->next->back, mintrav, maxtrav); addTraverseBIG(tr, p, p2->next->next->back, mintrav, maxtrav); } hookup(p->next, p1, p1z, tr->numBranches); hookup(p->next->next, p2, p2z, tr->numBranches); initravDIST(tr, p, 1); } } if (/*! q->tip*/ !isTip(q->number, tr->rdta->numsp) && maxtrav > 0 && doQ) { q1 = q->next->back; q2 = q->next->next->back; /*if (((!q1->tip) && (!q1->next->back->tip || !q1->next->next->back->tip)) || ((!q2->tip) && (!q2->next->back->tip || !q2->next->next->back->tip))) */ if ( ( ! isTip(q1->number, tr->rdta->numsp) && (! isTip(q1->next->back->number, tr->rdta->numsp) || ! isTip(q1->next->next->back->number, tr->rdta->numsp)) ) || ( ! isTip(q2->number, tr->rdta->numsp) && (! isTip(q2->next->back->number, tr->rdta->numsp) || ! isTip(q2->next->next->back->number, tr->rdta->numsp)) ) ) { for(i = 0; i < tr->numBranches; i++) { q1z[i] = q1->z[i]; q2z[i] = q2->z[i]; } if (! removeNodeBIG(tr, q, tr->numBranches)) return badRear; mintrav2 = mintrav > 2 ? mintrav : 2; if (/*! q1->tip*/ !isTip(q1->number, tr->rdta->numsp)) { addTraverseBIG(tr, q, q1->next->back, mintrav2 , maxtrav); addTraverseBIG(tr, q, q1->next->next->back, mintrav2 , maxtrav); } if (/*! q2->tip*/ ! isTip(q2->number, tr->rdta->numsp)) { addTraverseBIG(tr, q, q2->next->back, mintrav2 , maxtrav); addTraverseBIG(tr, q, q2->next->next->back, mintrav2 , maxtrav); } hookup(q->next, q1, q1z, tr->numBranches); hookup(q->next->next, q2, q2z, tr->numBranches); initravDIST(tr, q, 1); } } return 1; } double treeOptimizeRapid(tree *tr, int mintrav, int maxtrav, analdef *adef, bestlist *bt) { int i, index, *perm = (int*)NULL; nodeRectifier(tr); if (maxtrav > tr->ntips - 3) maxtrav = tr->ntips - 3; resetInfoList(); resetBestTree(bt); tr->startLH = tr->endLH = tr->likelihood; if(tr->doCutoff) { if(tr->bigCutoff) { if(tr->itCount == 0) tr->lhCutoff = 0.5 * (tr->likelihood / -1000.0); else tr->lhCutoff = 0.5 * ((tr->lhAVG) / ((double)(tr->lhDEC))); } else { if(tr->itCount == 0) tr->lhCutoff = tr->likelihood / -1000.0; else tr->lhCutoff = (tr->lhAVG) / ((double)(tr->lhDEC)); } tr->itCount = tr->itCount + 1; tr->lhAVG = 0; tr->lhDEC = 0; } if(adef->permuteTreeoptimize) { int n = tr->mxtips + tr->mxtips - 2; perm = (int *)malloc(sizeof(int) * (n + 1)); makePermutation(perm, n, adef); } for(i = 1; i <= tr->mxtips + tr->mxtips - 2; i++) { tr->bestOfNode = unlikely; if(adef->permuteTreeoptimize) index = perm[i]; else index = i; if(rearrangeBIG(tr, tr->nodep[index], mintrav, maxtrav)) { if(Thorough) { if(tr->endLH > tr->startLH) { restoreTreeFast(tr); tr->startLH = tr->endLH = tr->likelihood; saveBestTree(bt, tr); } else { if(tr->bestOfNode != unlikely) restoreTopologyOnly(tr, bt); } } else { insertInfoList(tr->nodep[index], tr->bestOfNode); if(tr->endLH > tr->startLH) { restoreTreeFast(tr); tr->startLH = tr->endLH = tr->likelihood; } } } } if(!Thorough) { Thorough = 1; for(i = 0; i < iList.valid; i++) { tr->bestOfNode = unlikely; if(rearrangeBIG(tr, iList.list[i].node, mintrav, maxtrav)) { if(tr->endLH > tr->startLH) { restoreTreeFast(tr); tr->startLH = tr->endLH = tr->likelihood; saveBestTree(bt, tr); } else { if(tr->bestOfNode != unlikely) { restoreTopologyOnly(tr, bt); } } } } Thorough = 0; } if(adef->permuteTreeoptimize) free(perm); return tr->startLH; } boolean testInsertRestoreBIG (tree *tr, nodeptr p, nodeptr q) { if(Thorough) { if (! insertBIG(tr, p, q, tr->numBranches)) return FALSE; evaluateGeneric(tr, p->next->next); /* if (! insertRestoreBIG(tr, p, q)) return FALSE; { nodeptr x, y; x = p->next->next; y = p->back; while ((! x->x) || (! y->x)) { if(! (x->x)) newviewGeneric(tr, x); if (! (y->x)) newviewGeneric(tr, y); } } tr->likelihood = tr->endLH; */ } else { if (! insertRestoreBIG(tr, p, q)) return FALSE; { nodeptr x, y; x = p->next->next; y = p->back; if(! isTip(x->number, tr->rdta->numsp) && isTip(y->number, tr->rdta->numsp)) { while ((! x->x)) { if (! (x->x)) newviewGeneric(tr, x); } } if(isTip(x->number, tr->rdta->numsp) && !isTip(y->number, tr->rdta->numsp)) { while ((! y->x)) { if (! (y->x)) newviewGeneric(tr, y); } } if(!isTip(x->number, tr->rdta->numsp) && !isTip(y->number, tr->rdta->numsp)) { while ((! x->x) || (! y->x)) { if (! (x->x)) newviewGeneric(tr, x); if (! (y->x)) newviewGeneric(tr, y); } } } tr->likelihood = tr->endLH; } return TRUE; } void restoreTreeFast(tree *tr) { removeNodeRestoreBIG(tr, tr->removeNode); testInsertRestoreBIG(tr, tr->removeNode, tr->insertNode); } int determineRearrangementSetting(tree *tr, analdef *adef, bestlist *bestT, bestlist *bt) { int i, mintrav, maxtrav, bestTrav, impr, index, MaxFast, *perm = (int*)NULL; double startLH; boolean cutoff; MaxFast = 26; startLH = tr->likelihood; cutoff = tr->doCutoff; tr->doCutoff = FALSE; mintrav = 1; maxtrav = 5; bestTrav = maxtrav = 5; impr = 1; resetBestTree(bt); if(adef->permuteTreeoptimize) { int n = tr->mxtips + tr->mxtips - 2; perm = (int *)malloc(sizeof(int) * (n + 1)); makePermutation(perm, n, adef); } while(impr && maxtrav < MaxFast) { recallBestTree(bestT, 1, tr); /* TODO, why are nodes not rectified here ? */ if (maxtrav > tr->ntips - 3) maxtrav = tr->ntips - 3; tr->startLH = tr->endLH = tr->likelihood; for(i = 1; i <= tr->mxtips + tr->mxtips - 2; i++) { if(adef->permuteTreeoptimize) index = perm[i]; else index = i; tr->bestOfNode = unlikely; if(rearrangeBIG(tr, tr->nodep[index], mintrav, maxtrav)) { if(tr->endLH > tr->startLH) { restoreTreeFast(tr); tr->startLH = tr->endLH = tr->likelihood; } } } treeEvaluate(tr, 0.25); saveBestTree(bt, tr); /*printf("DETERMINE_BEST: %d %f\n", maxtrav, tr->likelihood);*/ if(tr->likelihood > startLH) { startLH = tr->likelihood; printLog(tr, adef, FALSE); bestTrav = maxtrav; impr = 1; } else { impr = 0; } maxtrav += 5; if(tr->doCutoff) { tr->lhCutoff = (tr->lhAVG) / ((double)(tr->lhDEC)); tr->itCount = tr->itCount + 1; tr->lhAVG = 0; tr->lhDEC = 0; } } recallBestTree(bt, 1, tr); tr->doCutoff = cutoff; if(adef->permuteTreeoptimize) free(perm); return bestTrav; } #ifdef _MULTI_GENE static void analyzeMultiGene(tree *tr) { int model, i, j; boolean complete = FALSE; int modelCount[NUM_BRANCHES]; int totalweight = 0; int missingweight = 0; for(i = 0; i < tr->cdta->endsite; i++) totalweight += tr->cdta->aliaswgt[i]; totalweight *= tr->mxtips; for(i = 0; i < NUM_BRANCHES; i++) modelCount[i] = 0; assert(tr->NumberOfModels > 1 && multiBranch); for(i = 1; i <= tr->mxtips; i++) { char *tip = tr->yVector[i]; for(model = 0; model < tr->NumberOfModels; model++) { int lower = tr->partitionData[model].lower; int upper = tr->partitionData[model].upper; char missing = 1; int mw = 0; for(j = lower; j < upper && missing; j++) { mw += tr->cdta->aliaswgt[j]; if(tip[j] != 15) missing = 0; } tr->tipMissing[i][model] = missing; if(missing) { missingweight += mw; /*printf("Seq %d part %d completely missing\n", i, model); */ } else modelCount[model] = modelCount[model] + 1; } } printf("Sampling-induced gapyness: %f\n", (double)missingweight / (double)totalweight); /* now let's see if we can find at least one complete sequence */ for(i = 0; i < tr->NumberOfModels; i++) printf("Partition %d: %d sequences\n", i, modelCount[i]); for(i = 1; i <= tr->mxtips; i++) { complete = TRUE; for(model = 0; model < tr->NumberOfModels && complete; model++) { if(tr->tipMissing[i][model]) complete = FALSE; } if(complete) { int j; tr->start = tr->nodep[i]; /*printf("%d: ", i);*/ for(j = 0; j < tr->NumberOfModels; j++) { /* printf("%d ", tr->tipMissing[i][j]); */ tr->startVector[j] = tr->nodep[i]; } /* printf("\n"); */ break; } else { /*printf("Tip %d missing part %d\n", i, model);*/ } } /*if(complete) return; else*/ tr->start = (nodeptr)NULL; { for(model = 0; model < tr->NumberOfModels; model++) { for(i = 1; i <= tr->mxtips; i++) { if(!tr->tipMissing[i][model]) { printf("START %d\n", i); tr->startVector[model] = tr->nodep[i]; break; } } } /*printf("TODO\n"); assert(0);*/ } } static int containsModel(nodeptr p, int model, tree *tr) { if(isTip(p->number, tr->mxtips)) { if(tr->tipMissing[p->number][model]) return 0; else return 1; } else { assert(p = p->next->next->next); return (containsModel(p->next->back, model, tr) || containsModel(p->next->next->back, model, tr)); } } static void reduceTreeModelREC(nodeptr p, nodeptr reference, int model, tree *tr) { if(isTip(p->number, tr->mxtips)) { assert(!tr->tipMissing[p->number][model]); p->backs[model] = reference; reference->backs[model] = p; p->z[model] = reference->z[model] = defaultz; } else { nodeptr q = p->next; nodeptr r = p->next->next; int left = containsModel(q->back, model, tr); int right = containsModel(r->back, model, tr); assert(p = p->next->next->next); if(left && right) { p->backs[model] = reference; reference->backs[model] = p; p->z[model] = reference->z[model] = defaultz; reduceTreeModelREC(q->back, q, model, tr); reduceTreeModelREC(r->back, r, model, tr); } else { if(left || right) { if(left) { reduceTreeModelREC(q->back, reference, model, tr); /* contained in q schtrawutsni */ } else { reduceTreeModelREC(r->back, reference, model, tr); /* contained in r schtrawutsni */ } } else { assert(0); /* should not get here */ } } } } static void reduceTreeModel(tree *tr, int model) { assert(isTip(tr->startVector[model]->number, tr->mxtips)); reduceTreeModelREC(tr->startVector[model]->back, tr->startVector[model], model, tr); } static void printTreeModelRec(nodeptr p, int model, tree *tr, int *tips) { if(isTip(p->number, tr->mxtips)) { assert(!tr->tipMissing[p->number][model]); printf("%s,", tr->nameList[p->number]); *tips = *tips + 1; } else { if(p->next->backs[model]) printTreeModelRec(p->next->backs[model], model, tr, tips); if(p->next->next->backs[model]) printTreeModelRec(p->next->next->backs[model], model, tr, tips); } } static void printTreeModel(tree *tr, int model) { int tips = 0; printf("Tree %d:", model); printTreeModelRec(tr->startVector[model], model, tr, &tips); printTreeModelRec(tr->startVector[model]->backs[model], model, tr, &tips); printf(" %d tips \n", tips); } static void treeReduction(tree *tr) { int model; for(model = 0; model < tr->NumberOfModels; model++) { reduceTreeModel(tr, model); /*printTreeModel(tr, model);*/ } } #endif void computeBIGRAPID (tree *tr, analdef *adef) { int i, impr, bestTrav, rearrangementsMax = 0, rearrangementsMin = 0; double lh, previousLh, difference, epsilon; bestlist *bestT, *bt; bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); bt = (bestlist *) malloc(sizeof(bestlist)); bt->ninit = 0; initBestTree(bt, 20, tr->mxtips); initInfoList(50); difference = 10.0; epsilon = 0.01; Thorough = 0; #ifndef _MULTI_GENE optimizeModel(tr, adef); treeEvaluate(tr, 2); printLog(tr, adef, FALSE); #endif saveBestTree(bestT, tr); #ifdef _MULTI_GENE { double t; int k; resetBranches(tr); t = gettime(); for(k = 0; k < 50; k++) evaluateGenericInitrav(tr, tr->start); t = gettime() - t; printf("%f %f\n", tr->likelihood, t); t = gettime(); treeEvaluate(tr, 2.0); t = gettime() - t; printf("EVAL %f %f\n", tr->likelihood, t); resetBranches(tr); analyzeMultiGene(tr); treeReduction(tr); t = gettime(); tr->doMulti = 1; for(k = 0; k < 50; k++) { /* result = 0.0; determineFullMultiTraversal(tr); for(model = 0; model < tr->NumberOfModels; model++) result += evaluateIterativePartition(tr, tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model); */ evaluateGenericInitrav(tr, tr->start); } t = gettime() - t; printf("%f %f\n", tr->likelihood, t); for(k = 0; k < tr->NumberOfModels; k++) printf("Part[%d]: %f\n", k, tr->perPartitionLH[k]); t = gettime(); printf("D1\n"); treeEvaluateMulti(tr, 2.0); printf("D2\n"); t = gettime() - t; printf("EVAL %f %f\n", tr->likelihood, t); /* for(k = 1; k < 100; k++) { double erg = evaluateGeneric(tr, tr->nodep[k]); printf("%d: %f\n", k, erg); }*/ exit(1); } #endif if(!adef->initialSet) bestTrav = adef->bestTrav = determineRearrangementSetting(tr, adef, bestT, bt); else bestTrav = adef->bestTrav = adef->initial; saveBestTree(bestT, tr); impr = 1; if(tr->doCutoff) tr->itCount = 0; while(impr) { recallBestTree(bestT, 1, tr); optimizeModel(tr, adef); treeEvaluate(tr, 2); saveBestTree(bestT, tr); printLog(tr, adef, FALSE); printResult(tr, adef, FALSE); lh = previousLh = tr->likelihood; treeOptimizeRapid(tr, 1, bestTrav, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } Thorough = 1; impr = 1; while(1) { recallBestTree(bestT, 1, tr); if(impr) { printResult(tr, adef, FALSE); rearrangementsMin = 1; rearrangementsMax = adef->stepwidth; } else { rearrangementsMax += adef->stepwidth; rearrangementsMin += adef->stepwidth; if(rearrangementsMax > adef->max_rearrange) goto cleanup; } optimizeModel(tr, adef); treeEvaluate(tr, 2.0); previousLh = lh = tr->likelihood; saveBestTree(bestT, tr); printLog(tr, adef, FALSE); treeOptimizeRapid(tr, rearrangementsMin, rearrangementsMax, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } cleanup: freeBestTree(bestT); free(bestT); freeBestTree(bt); free(bt); freeInfoList(); printLog(tr, adef, FALSE); printResult(tr, adef, FALSE); } void computeBIGRAPIDMULTIBOOT (tree *tr, analdef *adef) { int i, impr, bestTrav, rearrangementsMax = 0, rearrangementsMin = 0; double lh, previousLh, difference, epsilon; bestlist *bestT, *bt; bestT = (bestlist *) malloc(sizeof(bestlist)); bestT->ninit = 0; initBestTree(bestT, 1, tr->mxtips); bt = (bestlist *) malloc(sizeof(bestlist)); bt->ninit = 0; initBestTree(bt, 20, tr->mxtips); initInfoList(50); difference = 10.0; epsilon = 0.01; Thorough = 0; treeEvaluate(tr, 2); printLog(tr, adef, FALSE); saveBestTree(bestT, tr); if(!adef->initialSet) bestTrav = adef->bestTrav = determineRearrangementSetting(tr, adef, bestT, bt); else bestTrav = adef->bestTrav = adef->initial; saveBestTree(bestT, tr); impr = 1; if(tr->doCutoff) tr->itCount = 0; while(impr) { recallBestTree(bestT, 1, tr); treeEvaluate(tr, 2); /*printf("%f\n", tr->likelihood);*/ saveBestTree(bestT, tr); printLog(tr, adef, FALSE); printResult(tr, adef, FALSE); lh = previousLh = tr->likelihood; treeOptimizeRapid(tr, 1, bestTrav, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } Thorough = 1; impr = 1; while(1) { recallBestTree(bestT, 1, tr); if(impr) { printResult(tr, adef, FALSE); rearrangementsMin = 1; rearrangementsMax = adef->stepwidth; } else { rearrangementsMax += adef->stepwidth; rearrangementsMin += adef->stepwidth; if(rearrangementsMax > adef->max_rearrange) goto cleanup; } treeEvaluate(tr, 2.0); /*printf("%f\n", tr->likelihood);*/ previousLh = lh = tr->likelihood; saveBestTree(bestT, tr); printLog(tr, adef, FALSE); treeOptimizeRapid(tr, rearrangementsMin, rearrangementsMax, adef, bt); impr = 0; for(i = 1; i <= bt->nvalid; i++) { recallBestTree(bt, i, tr); treeEvaluate(tr, 0.25); difference = ((tr->likelihood > previousLh)? tr->likelihood - previousLh: previousLh - tr->likelihood); if(tr->likelihood > lh && difference > epsilon) { impr = 1; lh = tr->likelihood; saveBestTree(bestT, tr); } } } cleanup: freeBestTree(bestT); free(bestT); freeBestTree(bt); free(bt); freeInfoList(); printLog(tr, adef, FALSE); printResult(tr, adef, FALSE); } boolean treeEvaluate (tree *tr, double smoothFactor) /* Evaluate a user tree */ { /* treeEvaluate */ /*double inLH = tr->likelihood;*/ if (! smoothTree(tr, (int)((double)smoothings * smoothFactor))) { return FALSE; } evaluateGeneric(tr, tr->start); /* if(inLH > tr->likelihood) { printf("FATAL error in treeEvaluate %.20f <-> %.20f factor %d\n", inLH, tr->likelihood, (int)((double)smoothings * smoothFactor)); }*/ return TRUE; } /* treeEvaluate */ /************* per partition branch length optimization ****************************/ static boolean updatePartition(tree *tr, nodeptr p, int model) { nodeptr q; double z0, z; q = p->back; z0 = q->z[0]; z = makenewzPartitionGeneric(tr, p, q, z0, newzpercycle, model); p->z[0] = q->z[0] = z; if (ABS(z - z0) > deltaz) tr->smoothed = FALSE; return TRUE; } static boolean smoothPartition(tree *tr, nodeptr p, int model) { nodeptr q; if(! updatePartition(tr, p, model)) return FALSE; if(/*! p->tip*/ !isTip(p->number, tr->rdta->numsp)) { q = p->next; while (q != p) { if (! smoothPartition(tr, q->back, model)) return FALSE; q = q->next; } newviewPartitionGeneric(tr, p, model); } return TRUE; } static boolean smoothTreePartition(tree *tr, int maxtimes, int model) { nodeptr p, q; p = tr->start; while(--maxtimes >= 0) { tr->smoothed = TRUE; if(! smoothPartition(tr, p->back, model)) return FALSE; if(/*! p->tip*/ !isTip(p->number, tr->rdta->numsp)) { q = p->next; while (q != p) { if(! smoothPartition(tr, q->back, model)) return FALSE; q = q->next; } } if (tr->smoothed) break; } return TRUE; } boolean treeEvaluatePartition(tree *tr, double smoothFactor, int model) { if(! smoothTreePartition(tr, (int)((double)smoothings * smoothFactor), model)) return FALSE; evaluatePartitionGeneric(tr, tr->start, model); return TRUE; } /******** Mehring Algo DEVEL ********************************************/ static boolean insertLight (tree *tr, nodeptr p, nodeptr q) { nodeptr r, s; int i; r = q->back; s = p->back; for(i = 0; i < tr->numBranches; i++) tr->lzi[i] = q->z[i]; if(Thorough) { double zqr[NUM_BRANCHES], zqs[NUM_BRANCHES], zrs[NUM_BRANCHES], lzqr, lzqs, lzrs, lzsum, lzq, lzr, lzs, lzmax; double defaultArray[NUM_BRANCHES]; double e1[NUM_BRANCHES], e2[NUM_BRANCHES], e3[NUM_BRANCHES]; double *qz; qz = q->z; for(i = 0; i < tr->numBranches; i++) defaultArray[i] = defaultz; makenewzGeneric(tr, q, r, qz, iterations, zqr); makenewzGeneric(tr, q, s, defaultArray, iterations, zqs); makenewzGeneric(tr, r, s, defaultArray, iterations, zrs); for(i = 0; i < tr->numBranches; i++) { lzqr = (zqr[i] > zmin) ? log(zqr[i]) : log(zmin); lzqs = (zqs[i] > zmin) ? log(zqs[i]) : log(zmin); lzrs = (zrs[i] > zmin) ? log(zrs[i]) : log(zmin); lzsum = 0.5 * (lzqr + lzqs + lzrs); lzq = lzsum - lzrs; lzr = lzsum - lzqs; lzs = lzsum - lzqr; lzmax = log(zmax); if (lzq > lzmax) {lzq = lzmax; lzr = lzqr; lzs = lzqs;} else if (lzr > lzmax) {lzr = lzmax; lzq = lzqr; lzs = lzrs;} else if (lzs > lzmax) {lzs = lzmax; lzq = lzqs; lzr = lzrs;} e1[i] = exp(lzq); e2[i] = exp(lzr); e3[i] = exp(lzs); } hookup(p->next, q, e1, tr->numBranches); hookup(p->next->next, r, e2, tr->numBranches); hookup(p, s, e3, tr->numBranches); } else { double z[NUM_BRANCHES]; for(i = 0; i < tr->numBranches; i++) { z[i] = sqrt(q->z[i]); if(z[i] < zmin) z[i] = zmin; if(z[i] > zmax) z[i] = zmax; } hookup(p->next, q, z, tr->numBranches); hookup(p->next->next, r, z, tr->numBranches); } newviewGeneric(tr, p); if(Thorough) { localSmooth(tr, p, smoothings); /*regionalSmooth (tr, p, int maxtimes, 10);*/ for(i = 0; i < tr->numBranches; i++) { tr->lzq[i] = p->next->z[i]; tr->lzr[i] = p->next->next->z[i]; tr->lzs[i] = p->z[i]; } } return TRUE; } static boolean testInsertLight(tree *tr, nodeptr p, nodeptr q, int *count) { double qz[NUM_BRANCHES], pz[NUM_BRANCHES]; nodeptr r; boolean doIt = TRUE; int i; r = q->back; for(i = 0; i < tr->numBranches; i++) { qz[i] = q->z[i]; pz[i] = p->z[i]; } if(tr->grouped) { int rNumber, qNumber, pNumber; doIt = FALSE; rNumber = tr->constraintVector[r->number]; qNumber = tr->constraintVector[q->number]; pNumber = tr->constraintVector[p->number]; if(pNumber == -9) pNumber = checker(tr, p->back); if(pNumber == -9) doIt = TRUE; else { if(qNumber == -9) qNumber = checker(tr, q); if(rNumber == -9) rNumber = checker(tr, r); if(pNumber == rNumber || pNumber == qNumber) doIt = TRUE; } } if(doIt) { if (! insertLight(tr, p, q)) return FALSE; evaluateGeneric(tr, p->next->next); *count = *count + 1; if(tr->likelihood > tr->bestOfNode) { tr->bestOfNode = tr->likelihood; tr->insertNode = q; tr->removeNode = p; for(i = 0; i < tr->numBranches; i++) { tr->currentZQR[i] = tr->zqr[i]; tr->currentLZR[i] = tr->lzr[i]; tr->currentLZQ[i] = tr->lzq[i]; tr->currentLZS[i] = tr->lzs[i]; } } hookup(q, r, qz, tr->numBranches); p->next->next->back = p->next->back = (nodeptr) NULL; if(Thorough) { nodeptr s = p->back; hookup(p, s, pz, tr->numBranches); } return TRUE; } else return TRUE; } static void addTraverseLight(tree *tr, nodeptr p, nodeptr q, int *count) { if (! testInsertLight(tr, p, q, count)) assert(0); if(!isTip(q->number, tr->rdta->numsp)) { addTraverseLight(tr, p, q->next->back, count); addTraverseLight(tr, p, q->next->next->back, count); } } static void findBestPosition(tree *tr, insertionBranch *ib, int numberOfInsertionBranches, nodeptr testSequence, nodeptr q, nodeptr r, nodeptr s) { int count = 0; int i; boolean found = FALSE; /* modOpt(tr, adef); */ assert(testSequence != tr->start); /*printf("ENTER: %f\n", tr->likelihood);*/ tr->bestOfNode = unlikely; assert(r->back == s && s->back == r); newviewGeneric(tr, r); newviewGeneric(tr, s); hookupDefault(q, testSequence, tr->numBranches); testInsertLight(tr, q, r, &count); if(!isTip(r->number, tr->mxtips)) { addTraverseLight(tr, q, r->next->back, &count); addTraverseLight(tr, q, r->next->next->back, &count); } if(!isTip(s->number, tr->mxtips)) { addTraverseLight(tr, q, s->next->back, &count); addTraverseLight(tr, q, s->next->next->back, &count); } /*printf("Trees analyzed: %d Best %f insertion at node %d (back %d)\n", count, tr->bestOfNode, tr->insertNode->number, tr->insertNode->back->number); */ for(i = 0; i < numberOfInsertionBranches && !found; i++) { if(ib[i].p == tr->insertNode) { ib[i].freq = ib[i].freq + 1; found = TRUE; } else { if(ib[i].p == (nodeptr)NULL) break; } } if(!found) { assert(i < numberOfInsertionBranches); ib[i].freq = 1; ib[i].p = tr->insertNode; } } void determineSequencePosition(tree *tr, analdef *adef) { int i; int numberOfInsertionBranches; FILE *f; nodeptr testSequence, q, r, s; int *originalRateCategories = (int*)malloc(tr->cdta->endsite * sizeof(int)); int *originalInvariant = (int*)malloc(tr->cdta->endsite * sizeof(int)); assert(adef->restart && adef->outgroup); adef->outgroup = FALSE; tr->doCutoff = FALSE; Thorough = 1; numberOfInsertionBranches = 2 * tr->mxtips - 5; tr->ib = (insertionBranch *)malloc(sizeof(insertionBranch) * numberOfInsertionBranches); for(i = 0; i < numberOfInsertionBranches; i++) { tr->ib[i].p = (nodeptr)NULL; tr->ib[i].freq = 0; } if(tr->outgroupNums[0] == 1) tr->start = tr->nodep[2]; testSequence = tr->nodep[tr->outgroupNums[0]]; assert(testSequence != tr->start); q = testSequence->back; r = q->next->back; s = q->next->next->back; assert(q->next->next->next->back == testSequence); q->next->back = (nodeptr)NULL; q->next->next->back = (nodeptr)NULL; hookupDefault(r, s, tr->numBranches); modOpt(tr, adef); memcpy(originalRateCategories, tr->cdta->rateCategory, sizeof(int) * tr->cdta->endsite); memcpy(originalInvariant, tr->invariant, sizeof(int) * tr->cdta->endsite); if(adef->rapidBoot) { for(i = 0; i < adef->multipleRuns; i++) { double t = gettime(); computeNextReplicate(tr, adef, originalRateCategories, originalInvariant); resetBranches(tr); evaluateGenericInitrav(tr, tr->start); treeEvaluate(tr, 1); findBestPosition(tr, tr->ib, numberOfInsertionBranches, testSequence, q, r, s); t = gettime() - t; printf("Replicate[%d]: %f seconds\n", i, t); } } else findBestPosition(tr, tr->ib, numberOfInsertionBranches, testSequence, q, r, s); i = 0; while(i < numberOfInsertionBranches && tr->ib[i].p) { double support = ((double)(tr->ib[i].freq)) / ((double) (adef->multipleRuns)); #ifdef WIN32 tr->ib[i].freq = (int)floor(0.5 + support * 100.0); #else tr->ib[i].freq = (int)(0.5 + support * 100.0); #endif i++; } f = fopen(resultFileName, "w"); Tree2String(tr->tree_string, tr, tr->start->back, FALSE, TRUE, FALSE, FALSE, FALSE, adef, SUMMARIZE_LH); fprintf(f, "%s", tr->tree_string); fclose(f); printf("\nResult written to file: %s\n", resultFileName); exit(0); } static void markTips(nodeptr p, int *perm, int maxTips) { if(isTip(p->number, maxTips)) { perm[p->number] = 1; return; } else { nodeptr q = p->next; while(q != p) { markTips(q->back, perm, maxTips); q = q->next; } } } static double testInsertRob (tree *tr, nodeptr p, nodeptr q) { double qz[NUM_BRANCHES], pz[NUM_BRANCHES]; nodeptr r; double result; int i; r = q->back; for(i = 0; i < tr->numBranches; i++) { qz[i] = q->z[i]; pz[i] = p->z[i]; } assert(!tr->grouped); insertBIG(tr, p, q, tr->numBranches); result = evaluateGeneric(tr, p->next->next); hookup(q, r, qz, tr->numBranches); p->next->next->back = p->next->back = (nodeptr) NULL; if(Thorough) { nodeptr s = p->back; hookup(p, s, pz, tr->numBranches); } return result; } static void addTraverseRob(tree *tr, nodeptr r, nodeptr q, int *inserts, int numberOfTipsForInsertion, int *count, double *insertLikelihoods, nodeptr *insertNodes) { int i; for(i = 0; i < numberOfTipsForInsertion; i++) { double result; nodeptr p = tr->nodep[inserts[i]]; hookupDefault(p, r, tr->numBranches); result = testInsertRob(tr, r, q); if(result > insertLikelihoods[i]) { insertLikelihoods[i] = result; insertNodes[i] = q; } } /*printf("Sierra %d\n", *count);*/ *count = *count + 1; if(!isTip(q->number, tr->rdta->numsp)) { addTraverseRob(tr, r, q->next->back, inserts, numberOfTipsForInsertion, count, insertLikelihoods, insertNodes); addTraverseRob(tr, r, q->next->next->back, inserts, numberOfTipsForInsertion, count, insertLikelihoods, insertNodes); } } static void insertInsertionPoint(insertionPoints *ip, nodeptr p) { int pos = 0; for(pos = 0; pos < ip->max; pos++) { if(ip->ib[pos].p == (nodeptr)NULL) break; if(ip->ib[pos].p == p) break; } if(pos < ip->max) { if(ip->ib[pos].p == (nodeptr)NULL) { ip->ib[pos].p = p; ip->ib[pos].freq = 1; } else { /*printf("adding at %d\n", pos, ip->max);*/ assert( ip->ib[pos].p == p); ip->ib[pos].freq = ip->ib[pos].freq + 1; } } else { int i; insertionBranch *new; printf("extending\n"); new = (insertionBranch *)malloc(sizeof(insertionBranch) * 2 * ip->max); memcpy(new, ip->ib, sizeof(insertionBranch) * ip->max); for(i = ip->max; i < 2 * ip->max; i++) { new[i].p = (nodeptr)NULL; new[i].freq = 0; } new[pos].p = p; new[pos].freq = 1; ip->max = 2 * ip->max; free(ip->ib); ip->ib = new; } } static void getIP(nodeptr p, tree *tr, int *count, int *inserts, int *frequencies) { int i, j; *count = 0; for(j = 0; j < tr->numberOfTipsForInsertion; j++) { i = 0; while(i < tr->ip[j].max && tr->ip[j].ib[i].p) { assert(tr->ip[j].ib[i].freq > 0 && tr->ip[j].ib[i].p); if(p == tr->ip[j].ib[i].p || p->back == tr->ip[j].ib[i].p) { inserts[*count] = tr->ip[j].reference; frequencies[*count] = tr->ip[j].ib[i].freq; *count = *count + 1; break; } i++; } } /*printf("Count %d %d\n", *count, p->number);*/ return; } static char *Tree2StringML(char *treestr, tree *tr, nodeptr p, int *inserts, int *frequencies) { char *nameptr; int count, i; assert(tr->ip); getIP(p, tr, &count, inserts, frequencies); if(isTip(p->number, tr->rdta->numsp)) { if(count > 0) { if(count > 1) printf("TIP > 1\n"); nameptr = tr->nameList[p->number]; getIP(p, tr, &count, inserts, frequencies); if(count == 1) sprintf(treestr, "(%s:%d,%s)", tr->nameList[inserts[0]], frequencies[0], nameptr); else { sprintf(treestr, "(%s:%d", tr->nameList[inserts[0]], frequencies[0]); while (*treestr) treestr++; for(i = 1; i < count; i++) { sprintf(treestr, ",%s:%d", tr->nameList[inserts[i]], frequencies[i]); while (*treestr) treestr++; } sprintf(treestr, "),%s)", nameptr); while (*treestr) treestr++; } } else { nameptr = tr->nameList[p->number]; sprintf(treestr, "%s", nameptr); } while (*treestr) treestr++; } else { if(count > 0) { if(count > 1) printf("INNER > 1\n"); *treestr++ = '('; if(count == 1) { sprintf(treestr, "%s:%d", tr->nameList[inserts[0]], frequencies[0]); while (*treestr) treestr++; } else { *treestr++ = '('; sprintf(treestr, "%s:%d", tr->nameList[inserts[0]], frequencies[0]); while (*treestr) treestr++; for(i = 1; i < count; i++) { sprintf(treestr, ",%s:%d", tr->nameList[inserts[i]], frequencies[i]); while (*treestr) treestr++; } *treestr++ = ')'; } *treestr++ = ','; *treestr++ = '('; treestr = Tree2StringML(treestr, tr, p->next->back, inserts, frequencies); *treestr++ = ','; treestr = Tree2StringML(treestr, tr, p->next->next->back, inserts, frequencies); if(p == tr->start->back) { *treestr++ = ','; treestr = Tree2StringML(treestr, tr, p->back, inserts, frequencies); } *treestr++ = ')'; *treestr++ = ')'; } else { *treestr++ = '('; treestr = Tree2StringML(treestr, tr, p->next->back, inserts, frequencies); *treestr++ = ','; treestr = Tree2StringML(treestr, tr, p->next->next->back, inserts, frequencies); if(p == tr->start->back) { *treestr++ = ','; treestr = Tree2StringML(treestr, tr, p->back, inserts, frequencies); } *treestr++ = ')'; } } if(p == tr->start->back) { if(count > 0) { /*sprintf(treestr, "%d;\n", insertionFrequency);*/ sprintf(treestr, ";\n"); } else { sprintf(treestr, ";\n"); } } else { if(count > 0) { /*sprintf(treestr, "%d", insertionFrequency);*/ sprintf(treestr, "%s", "\0"); } else { sprintf(treestr, "%s", "\0"); } } while (*treestr) treestr++; return treestr; } void rapidML_Addition(tree *tr, analdef *adef) { int i, j, *perm, *inserts; int numberOfTipsForInsertion = 0; int count; double *insertLikelihoods; insertionPoints *ip; nodeptr *insertNodes; nodeptr r, q; printf("Current Tips: %d\n", tr->ntips); assert(adef->restart); adef->outgroup = FALSE; tr->doCutoff = FALSE; evaluateGenericInitrav(tr, tr->start); printf("Init: %f\n", tr->likelihood); if(adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA) modOpt(tr, adef); else quickOpt(tr, adef); printf("Opt: %f\n", tr->likelihood); Thorough = 0; perm = (int *)calloc(tr->mxtips + 1, sizeof(int)); inserts = (int *)calloc(tr->mxtips, sizeof(int)); markTips(tr->start, perm, tr->mxtips); markTips(tr->start->back, perm ,tr->mxtips); numberOfTipsForInsertion = 0; for(i = 1; i <= tr->mxtips; i++) { if(perm[i] == 0) { inserts[numberOfTipsForInsertion] = i; numberOfTipsForInsertion++; } } /*numberOfTipsForInsertion = 10;*/ printf("RAxML will insert %d Sequences\n", numberOfTipsForInsertion); insertLikelihoods = (double*)malloc(sizeof(double) * numberOfTipsForInsertion); insertNodes = (nodeptr*)malloc(sizeof(nodeptr) * numberOfTipsForInsertion); ip = (insertionPoints *)malloc(sizeof(insertionPoints) * numberOfTipsForInsertion); for(i = 0; i < numberOfTipsForInsertion; i++) { ip[i].max = 8; ip[i].reference = inserts[i]; ip[i].ib = (insertionBranch *)malloc(sizeof(insertionBranch) * 8); for(j = 0; j < 8; j++) { ip[i].ib[j].p = (nodeptr)NULL; ip[i].ib[j].freq = 0; } } r = tr->nodep[(tr->nextnode)++]; q = findAnyTip(tr->start, tr->rdta->numsp); q = q->back; if(adef->boot) { for(i = 0; i < adef->multipleRuns; i++) { if(i > 0) { makeboot(adef, tr); /*initModel(tr, tr->rdta, tr->cdta, adef);*/ evaluateGenericInitrav(tr, q->back); printf("Init: %f\n", tr->likelihood); /*if(adef->model == M_PROTGAMMA || adef->model == M_GTRGAMMA) modOpt(tr, adef); else quickOpt(tr, adef); */ } printf("Iteration %d: %f\n", i, tr->likelihood); count = 0; for(j = 0; j < numberOfTipsForInsertion; j++) { insertLikelihoods[j] = unlikely; insertNodes[j] = (nodeptr)NULL; } addTraverseRob(tr, r, q, inserts, numberOfTipsForInsertion, &count, insertLikelihoods, insertNodes); for(j = 0; j < numberOfTipsForInsertion; j++) { insertInsertionPoint(&ip[j], insertNodes[j]); /*printf("%s %f %d\n", tr->nameList[inserts[j]], insertLikelihoods[j], insertNodes[j]->number);*/ } } } else { evaluateGenericInitrav(tr, q->back); count = 0; for(j = 0; j < numberOfTipsForInsertion; j++) { insertLikelihoods[j] = unlikely; insertNodes[j] = (nodeptr)NULL; } addTraverseRob(tr, r, q, inserts, numberOfTipsForInsertion, &count, insertLikelihoods, insertNodes); for(j = 0; j < numberOfTipsForInsertion; j++) { insertInsertionPoint(&ip[j], insertNodes[j]); printf("%s %f %d\n", tr->nameList[inserts[j]], insertLikelihoods[j], insertNodes[j]->number); } } for(j = 0; j < numberOfTipsForInsertion; j++) { i = 0; while(i < ip[j].max && ip[j].ib[i].p) { double support = ((double)(ip[j].ib[i].freq)) / ((double) (adef->multipleRuns)); #ifdef WIN32 ip[j].ib[i].freq = (int)floor(0.5 + support * 100.0); #else ip[j].ib[i].freq = (int)(0.5 + support * 100.0); #endif i++; } } tr->ip = ip; tr->numberOfTipsForInsertion = numberOfTipsForInsertion; { int *insertRefs, *frequencies; insertRefs = (int*)malloc(sizeof(int) * numberOfTipsForInsertion); frequencies = (int*)malloc(sizeof(int) * numberOfTipsForInsertion); Tree2StringML(tr->tree_string, tr, q, insertRefs, frequencies); printf("%s \n", tr->tree_string); } exit(0); } #ifdef _MULTI_GENE static void sumGAMMA(int tipCase, double *sumtable, double *x1_start, double *x2_start, double *tipVector, char *tipX1, char *tipX2, int lower, int n) { double *x1, *x2, *sum; int i; switch(tipCase) { case TIP_TIP: for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &(tipVector[4 * tipX2[i]]); sum = &sumtable[i * 16]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[0]; sum[5] = x1[1] * x2[1]; sum[6] = x1[2] * x2[2]; sum[7] = x1[3] * x2[3]; sum[8] = x1[0] * x2[0]; sum[9] = x1[1] * x2[1]; sum[10] = x1[2] * x2[2]; sum[11] = x1[3] * x2[3]; sum[12] = x1[0] * x2[0]; sum[13] = x1[1] * x2[1]; sum[14] = x1[2] * x2[2]; sum[15] = x1[3] * x2[3]; } break; case TIP_INNER: for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[4]; sum[5] = x1[1] * x2[5]; sum[6] = x1[2] * x2[6]; sum[7] = x1[3] * x2[7]; sum[8] = x1[0] * x2[8]; sum[9] = x1[1] * x2[9]; sum[10] = x1[2] * x2[10]; sum[11] = x1[3] * x2[11]; sum[12] = x1[0] * x2[12]; sum[13] = x1[1] * x2[13]; sum[14] = x1[2] * x2[14]; sum[15] = x1[3] * x2[15]; } break; case INNER_INNER: for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[4] * x2[4]; sum[5] = x1[5] * x2[5]; sum[6] = x1[6] * x2[6]; sum[7] = x1[7] * x2[7]; sum[8] = x1[8] * x2[8]; sum[9] = x1[9] * x2[9]; sum[10] = x1[10] * x2[10]; sum[11] = x1[11] * x2[11]; sum[12] = x1[12] * x2[12]; sum[13] = x1[13] * x2[13]; sum[14] = x1[14] * x2[14]; sum[15] = x1[15] * x2[15]; } break; default: assert(0); } } static void sumGAMMAMULT(int tipCase, double *sumtable, double *x1_start, double *x2_start, double *tipVector, char *tipX1, char *tipX2, int *modelptr, int lower, int n) { double *x1, *x2, *sum; int i; switch(tipCase) { case TIP_TIP: for (i = lower; i < n; i++) { x1 = &(tipVector[64 * modelptr[i] + 4 * tipX1[i]]); x2 = &(tipVector[64 * modelptr[i] + 4 * tipX2[i]]); sum = &sumtable[i * 16]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[0]; sum[5] = x1[1] * x2[1]; sum[6] = x1[2] * x2[2]; sum[7] = x1[3] * x2[3]; sum[8] = x1[0] * x2[0]; sum[9] = x1[1] * x2[1]; sum[10] = x1[2] * x2[2]; sum[11] = x1[3] * x2[3]; sum[12] = x1[0] * x2[0]; sum[13] = x1[1] * x2[1]; sum[14] = x1[2] * x2[2]; sum[15] = x1[3] * x2[3]; } break; case TIP_INNER: for (i = lower; i < n; i++) { x1 = &(tipVector[64 * modelptr[i] + 4 * tipX1[i]]); x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[0] * x2[4]; sum[5] = x1[1] * x2[5]; sum[6] = x1[2] * x2[6]; sum[7] = x1[3] * x2[7]; sum[8] = x1[0] * x2[8]; sum[9] = x1[1] * x2[9]; sum[10] = x1[2] * x2[10]; sum[11] = x1[3] * x2[11]; sum[12] = x1[0] * x2[12]; sum[13] = x1[1] * x2[13]; sum[14] = x1[2] * x2[14]; sum[15] = x1[3] * x2[15]; } break; case INNER_INNER: for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; sum = &sumtable[16 * i]; sum[0] = x1[0] * x2[0]; sum[1] = x1[1] * x2[1]; sum[2] = x1[2] * x2[2]; sum[3] = x1[3] * x2[3]; sum[4] = x1[4] * x2[4]; sum[5] = x1[5] * x2[5]; sum[6] = x1[6] * x2[6]; sum[7] = x1[7] * x2[7]; sum[8] = x1[8] * x2[8]; sum[9] = x1[9] * x2[9]; sum[10] = x1[10] * x2[10]; sum[11] = x1[11] * x2[11]; sum[12] = x1[12] * x2[12]; sum[13] = x1[13] * x2[13]; sum[14] = x1[14] * x2[14]; sum[15] = x1[15] * x2[15]; } break; default: assert(0); } } static void coreGTRGAMMA(int lower, int upper, double *sumtable, double *d1, double *d2, double *EIGN, double *gammaRates, double lz, int *wrptr) { int i; double *diagptable, *diagptable_start, *sum, tmp_1, tmp_2, tmp_3, inv_Li, dlnLidlz, d2lnLidlz2, ki, kisqr, dlnLdlz = 0.0, d2lnLdlz2 = 0.0; diagptable = diagptable_start = (double *)malloc(sizeof(double) * 36); for(i = 0; i < 4; i++) { ki = gammaRates[i]; kisqr = ki * ki; *diagptable++ = exp (EIGN[0] * ki * lz); *diagptable++ = exp (EIGN[1] * ki * lz); *diagptable++ = exp (EIGN[2] * ki * lz); *diagptable++ = EIGN[0] * ki; *diagptable++ = EIGN[0] * EIGN[0] * kisqr; *diagptable++ = EIGN[1] * ki; *diagptable++ = EIGN[1] * EIGN[1] * kisqr; *diagptable++ = EIGN[2] * ki; *diagptable++ = EIGN[2] * EIGN[2] * kisqr; } for (i = lower; i < upper; i++) { diagptable = diagptable_start; sum = &(sumtable[i * 16]); inv_Li = *sum++; inv_Li += (tmp_1 = *diagptable++ * *sum++); inv_Li += (tmp_2 = *diagptable++ * *sum++); inv_Li += (tmp_3 = *diagptable++ * *sum++); dlnLidlz = tmp_1 * *diagptable++; d2lnLidlz2 = tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li += *sum++; inv_Li += (tmp_1 = *sum++ * *diagptable++); inv_Li += (tmp_2 = *sum++ * *diagptable++); inv_Li += (tmp_3 = *sum++ * *diagptable++); dlnLidlz += tmp_1 * *diagptable++; d2lnLidlz2 += tmp_1 * *diagptable++; dlnLidlz += tmp_2 * *diagptable++; d2lnLidlz2 += tmp_2 * *diagptable++; dlnLidlz += tmp_3 * *diagptable++; d2lnLidlz2 += tmp_3 * *diagptable++; inv_Li = 1.0 / inv_Li; dlnLidlz *= inv_Li; d2lnLidlz2 *= inv_Li; dlnLdlz += wrptr[i] * dlnLidlz; d2lnLdlz2 += wrptr[i] * (d2lnLidlz2 - dlnLidlz * dlnLidlz); } *d1 = dlnLdlz; *d2 = d2lnLdlz2; free(diagptable_start); } static void topLevelMakenewzPartition(tree *tr, int lower, int upper, int model, double z0, int maxiter, double *result) { double z, zprev, zstep; double dlnLdlz, d2lnLdlz2; z = z0; do { int curvatOK = FALSE; zprev = z; zstep = (1.0 - zmax) * z + zmin; do { double lz; if (z < zmin) z = zmin; else if (z > zmax) z = zmax; lz = log(z); coreGTRGAMMA(lower, upper, tr->sumBuffer, &dlnLdlz, &d2lnLdlz2, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), lz, tr->cdta->aliaswgt); if ((d2lnLdlz2 >= 0.0) && (z < zmax)) zprev = z = 0.37 * z + 0.63; /* Bad curvature, shorten branch */ else curvatOK = TRUE; } while (! curvatOK); if (d2lnLdlz2 < 0.0) { double tantmp = -dlnLdlz / d2lnLdlz2; /* prevent overflow */ if (tantmp < 100) { z *= exp(tantmp); if (z < zmin) { z = zmin; } if (z > 0.25 * zprev + 0.75) /* Limit steps toward z = 1.0 */ z = 0.25 * zprev + 0.75; } else { z = 0.25 * zprev + 0.75; } } if (z > zmax) z = zmax; } while ((--maxiter > 0) && (ABS(z - zprev) > zstep)); *result = z; } static double evaluateGTRGAMMA(int *ex1, int *ex2, int *wptr, double *x1_start, double *x2_start, double *EIGN, double *gammaRates, double *tipVector, double pz, char *tipX1, int lower, int n) { double sum = 0.0, z, lz, term, ki; int i; double *diagptable, *x1, *x2; assert(x1_start != x2_start); assert(ex1 != ex2); z = pz; if (z < zmin) z = zmin; lz = log(z); diagptable = (double *)malloc(sizeof(double) * 16); for(i = 0; i < 4; i++) { ki = gammaRates[i]; diagptable[i * 4] = 1.0; diagptable[i * 4 + 1] = exp (EIGN[0] * ki * lz); diagptable[i * 4 + 2] = exp (EIGN[1] * ki * lz); diagptable[i * 4 + 3] = exp (EIGN[2] * ki * lz); } if(tipX1) { for (i = lower; i < n; i++) { x1 = &(tipVector[4 * tipX1[i]]); x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[0] * x2[4] * diagptable[4]; term += x1[1] * x2[5] * diagptable[5]; term += x1[2] * x2[6] * diagptable[6]; term += x1[3] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[0] * x2[8] * diagptable[8]; term += x1[1] * x2[9] * diagptable[9]; term += x1[2] * x2[10] * diagptable[10]; term += x1[3] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[0] * x2[12] * diagptable[12]; term += x1[1] * x2[13] * diagptable[13]; term += x1[2] * x2[14] * diagptable[14]; term += x1[3] * x2[15] * diagptable[15]; term = log(0.25 * term) + ex2[i] * log(minlikelihood); sum += wptr[i] * term; } free(diagptable); return sum; } else { for (i = lower; i < n; i++) { x1 = &x1_start[16 * i]; x2 = &x2_start[16 * i]; /* cat 0 */ term = x1[0] * x2[0] * diagptable[0]; term += x1[1] * x2[1] * diagptable[1]; term += x1[2] * x2[2] * diagptable[2]; term += x1[3] * x2[3] * diagptable[3]; /* cat 1 */ term += x1[4] * x2[4] * diagptable[4]; term += x1[5] * x2[5] * diagptable[5]; term += x1[6] * x2[6] * diagptable[6]; term += x1[7] * x2[7] * diagptable[7]; /* cat 2 */ term += x1[8] * x2[8] * diagptable[8]; term += x1[9] * x2[9] * diagptable[9]; term += x1[10] * x2[10] * diagptable[10]; term += x1[11] * x2[11] * diagptable[11]; /* cat 3 */ term += x1[12] * x2[12] * diagptable[12]; term += x1[13] * x2[13] * diagptable[13]; term += x1[14] * x2[14] * diagptable[14]; term += x1[15] * x2[15] * diagptable[15]; term = log(0.25 * term) + (ex1[i] + ex2[i]) * log(minlikelihood); sum += wptr[i] * term; } free(diagptable); return sum; } } static boolean updateMulti(tree *tr, nodeptr p, int model) { nodeptr q; boolean smoothed; double z, z0; q = p->backs[model]; assert(p->backs[model]); assert(q->backs[model] == p); assert(q->z[model] == p->z[model]); z0 = q->z[model]; /*printf("%d %d\n", p->number, q->number);*/ tr->td[model].ti[0].pNumber = p->number; tr->td[model].ti[0].qNumber = q->number; tr->td[model].ti[0].qz[model] = q->z[model]; tr->td[model].count = 1; if(!p->xs[model]) computeMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); if(!q->xs[model]) computeMultiTraversalInfo(q, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); newviewIterativePartition(tr, tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model); /*{ double result = 0.0, *x1_start = (double*)NULL, *x2_start = (double*)NULL; int *ex1 = (int*)NULL, *ex2 = (int*)NULL; char *tip = (char*)NULL; int pNumber, qNumber; double pz; pNumber = p->number; qNumber = q->number; pz = q->z[model]; if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(isTip(qNumber, tr->rdta->numsp)) { x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[qNumber]; } else { x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); tip = tr->yVector[pNumber]; } } else { x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); ex1 = getScalingArray(pNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); ex2 = getScalingArray(qNumber, tr->cdta->endsite, tr->mxtips, tr->expArray); } result = evaluateGTRGAMMA(ex1, ex2, tr->cdta->aliaswgt, x1_start, x2_start, &(tr->EIGN_DNA[model * 3]), &(tr->gammaRates[model * 4]), &(tr->tipVectorDNA[model * 64]), pz, tip, tr->partitionData[model].lower, tr->partitionData[model].upper); printf("RRRRRR %f\n", result); } z = z0;*/ { double *x1_start = (double*)NULL, *x2_start = (double*)NULL; char *tipX1 = (char*)NULL, *tipX2 = (char*)NULL; int tipCase; int pNumber, qNumber; pNumber = p->number; qNumber = q->number; if(isTip(pNumber, tr->rdta->numsp) || isTip(qNumber, tr->rdta->numsp)) { if(!(isTip(pNumber, tr->rdta->numsp) && isTip(qNumber, tr->rdta->numsp))) { tipCase = TIP_INNER; if(isTip(qNumber, tr->rdta->numsp)) { tipX1 = tr->yVector[qNumber]; x2_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); } else { tipX1 = tr->yVector[pNumber]; x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); } } else { tipCase = TIP_TIP; tipX1 = tr->yVector[pNumber]; tipX2 = tr->yVector[qNumber]; } } else { tipCase = INNER_INNER; x1_start = getLikelihoodArray(pNumber, tr->mxtips, tr->xVector); x2_start = getLikelihoodArray(qNumber, tr->mxtips, tr->xVector); } sumGAMMAMULT(tipCase, tr->sumBuffer, x1_start, x2_start, &(tr->tipVectorDNA[0]), tipX1, tipX2, tr->model, tr->partitionData[model].lower, tr->partitionData[model].upper); } /*z = makenewzPartitionGeneric(tr, p, q, z0, newzpercycle, model); */ { double result = 0.0; topLevelMakenewzPartition(tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model, z0, newzpercycle, &result); z = result; } smoothed = tr->smoothed; if (ABS(z - z0) > deltaz) smoothed = FALSE; p->z[model] = q->z[model] = z; tr->smoothed = smoothed; return TRUE; } static boolean smoothMulti (tree *tr, nodeptr p, int model, int *count) { if(isTip(p->number, tr->rdta->numsp)) assert(p->backs[model]); else assert(p->backs[model] && p->next->backs[model] && p->next->next->backs[model]); if (! updateMulti(tr, p, model)) { assert(0); return FALSE; } *count = *count + 1; /*if(*count == 22) exit(1);*/ if(!isTip(p->number, tr->rdta->numsp)) { if(!smoothMulti(tr, p->next->backs[model], model, count)) { assert(0); return FALSE; } if (!smoothMulti(tr, p->next->next->backs[model], model, count)) { assert(0); return FALSE; } tr->td[model].count = 1; assert(!p->xs[model]); if(!p->xs[model]) { computeMultiTraversalInfo(p, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); newviewIterativePartition(tr, tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model); } /*updateMulti(tr, p, model);*/ /*printf("HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH %d\n", *count);*/ } return TRUE; } static boolean smoothTreeMulti(tree *tr, int maxtimes, int model) { nodeptr p; int count; p = tr->startVector[model]; assert(p->backs[model]); assert(isTip(p->number, tr->rdta->numsp)); while (--maxtimes >= 0) { tr->smoothed = TRUE; count = 0; if (! smoothMulti(tr, p->backs[model], model, &count)) { exit(1); return FALSE; } if(!isTip(p->number, tr->rdta->numsp)) assert(0); if(tr->smoothed) break; } return TRUE; } boolean treeEvaluateMulti(tree *tr, double smoothFactor) { int model; double result = 0.0; for(model = 0; model < tr->NumberOfModels; model++) { nodeptr p, q; double erg; tr->modelNumber = model; p = tr->startVector[model]; q = p->backs[model]; assert(p->backs[model]); assert(q->backs[model] == p); if (! smoothTreeMulti(tr, (int)((double)smoothings * smoothFactor), model)) { return FALSE; } assert(p->backs[model] == q && q->backs[model] == p); tr->td[model].ti[0].pNumber = p->number; tr->td[model].ti[0].qNumber = q->number; tr->td[model].ti[0].qz[model] = q->z[model]; tr->td[model].count = 1; assert(q->z[model] == p->z[model]); assert(isTip(p->number, tr->mxtips)); /*if(!q->xs[model])*/ computeFullMultiTraversalInfo(q, &(tr->td[model].ti[0]), &(tr->td[model].count), tr->rdta->numsp, model); result += (erg = evaluateIterativePartition(tr, tr, tr->partitionData[model].lower, tr->partitionData[model].upper, model)); printf("%d %f\n", model, erg); } tr->likelihood = result; /*evaluateGenericInitrav(tr, tr->start); printf("%f\n", tr->likelihood);*/ return TRUE; } /* treeEvaluate */ #endif ./arbsrc_9167/GDE/RAxML/topologies.c0000644012664100000130000004222511213220010016774 0ustar arb_buildcoders /* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include "axml.h" topolRELL *initTopolRELL(tree *tr) { topolRELL *tpl; tpl = (topolRELL *)malloc(sizeof(topolRELL)); tpl->connect = (connectRELL *)malloc((2 * tr->mxtips - 3) * sizeof(connectRELL)); tpl->likelihood = unlikely; return tpl; } static void saveTopolRELLRec(nodeptr p, topolRELL *tpl, int *i, int numsp, int numBranches) { int k; if(isTip(p->number, numsp)) return; else { nodeptr q = p->next; while(q != p) { tpl->connect[*i].p = q; tpl->connect[*i].q = q->back; for(k = 0; k < numBranches; k++) tpl->connect[*i].z[k] = q->z[k]; *i = *i + 1; saveTopolRELLRec(q->back, tpl, i, numsp, numBranches); q = q->next; } } } void saveTopolRELL(tree *tr, topolRELL *tpl) { nodeptr p = tr->start; int k, i = 0; tpl->likelihood = tr->likelihood; tpl->start = 1; tpl->connect[i].p = p; tpl->connect[i].q = p->back; for(k = 0; k < tr->numBranches; k++) tpl->connect[i].z[k] = p->z[k]; i++; saveTopolRELLRec(p->back, tpl, &i, tr->rdta->numsp, tr->numBranches); } void restoreTopolRELL(tree *tr, topolRELL *tpl) { int i; nodeptr p, p0; for (i = 1; i <= 2*(tr->mxtips) - 2; i++) { p0 = p = tr->nodep[i]; do { p->back = (nodeptr) NULL; p = p->next; } while (p != p0); } for (i = 0; i < 2 * tr->mxtips - 3; i++) hookup(tpl->connect[i].p, tpl->connect[i].q, tpl->connect[i].z, tr->numBranches); tr->likelihood = tpl->likelihood; tr->start = tr->nodep[tpl->start]; } static void restoreTopolRELL_Light(tree *tr, topolRELL *tpl) { int i; nodeptr p, p0; for (i = 1; i <= 2*(tr->mxtips) - 2; i++) { p0 = p = tr->nodep[i]; do { p->back = (nodeptr) NULL; p = p->next; } while (p != p0); } for (i = 0; i < 2 * tr->mxtips - 3; i++) { tpl->connect[i].p->back = tpl->connect[i].q; tpl->connect[i].q->back = tpl->connect[i].p; } tr->start = tr->nodep[tpl->start]; } void initTL(topolRELL_LIST *rl, tree *tr, int n) { int i; rl->max = n; rl->members = n; rl->t = (topolRELL **)malloc(sizeof(topolRELL *) * n); for(i = 0; i < n; i++) { rl->t[i] = (topolRELL *)malloc(sizeof(topolRELL)); rl->t[i]->connect = (connectRELL *)malloc((2 * tr->mxtips - 3) * sizeof(connectRELL)); rl->t[i]->likelihood = unlikely; } } void freeTL(topolRELL_LIST *rl) { int i; for(i = 0; i < rl->max; i++) { free(rl->t[i]->connect); free(rl->t[i]); } free(rl->t); } void restoreTL(topolRELL_LIST *rl, tree *tr, int n) { assert(n >= 0 && n < rl->max); restoreTopolRELL(tr, rl->t[n]); } void restoreTL_Light(topolRELL_LIST *rl, tree *tr, int n) { assert(n >= 0 && n < rl->max); restoreTopolRELL_Light(tr, rl->t[n]); } void resetTL(topolRELL_LIST *rl) { int i; for(i = 0; i < rl->max; i++) rl->t[i]->likelihood = unlikely; } /*void saveTL(topolRELL_LIST *rl, tree *tr) { if(rl->members < rl->max) { saveTopolRELL(tr, rl->t[rl->members]); rl->members++; } else { int i, found = 0; for(i = 0; i < rl->max && !found; i++) { if(tr->likelihood > rl->t[i]->likelihood) { saveTopolRELL(tr, rl->t[i]); found = 1; } } } }*/ void saveTL(topolRELL_LIST *rl, tree *tr, int index) { assert(index >= 0 && index < rl->max); if(tr->likelihood > rl->t[index]->likelihood) saveTopolRELL(tr, rl->t[index]); } void *tipValPtr (nodeptr p) { return (void *) & p->number; } int cmpTipVal (void *v1, void *v2) { /* cmpTipVal */ int i1, i2; i1 = *((int *) v1); i2 = *((int *) v2); return (i1 < i2) ? -1 : ((i1 == i2) ? 0 : 1); } /* cmpTipVal */ /* These are the only routines that need to UNDERSTAND topologies */ topol *setupTopol (int maxtips) { /* setupTopol */ topol *tpl; if (! (tpl = (topol *) malloc(sizeof(topol))) || ! (tpl->links = (connptr) malloc((2*maxtips-3) * sizeof(connect)))) { printf("ERROR: Unable to get topology memory"); tpl = (topol *) NULL; } else { tpl->likelihood = unlikely; tpl->start = (node *) NULL; tpl->nextlink = 0; tpl->ntips = 0; tpl->nextnode = 0; tpl->scrNum = 0; /* position in sorted list of scores */ tpl->tplNum = 0; /* position in sorted list of trees */ tpl->prelabeled = TRUE; tpl->smoothed = FALSE; /* branch optimization converged? */ } return tpl; } /* setupTopol */ void freeTopol (topol *tpl) { /* freeTopol */ free(tpl->links); free(tpl); } /* freeTopol */ static int saveSubtree (nodeptr p, topol *tpl, int numsp, int numBranches) { connptr r, r0; nodeptr q, s; int t, t0, t1, k; r0 = tpl->links; r = r0 + (tpl->nextlink)++; r->p = p; r->q = q = p->back; for(k = 0; k < numBranches; k++) r->z[k] = p->z[k]; r->descend = 0; /* No children (yet) */ if (/*q->tip*/ isTip(q->number, numsp)) { r->valptr = tipValPtr(q); /* Assign value */ } else { /* Internal node, look at children */ s = q->next; /* First child */ do { t = saveSubtree(s, tpl, numsp, numBranches); /* Generate child's subtree */ t0 = 0; /* Merge child into list */ t1 = r->descend; while (t1 && (cmpTipVal(r0[t1].valptr, r0[t].valptr) < 0)) { t0 = t1; t1 = r0[t1].sibling; } if (t0) r0[t0].sibling = t; else r->descend = t; r0[t].sibling = t1; s = s->next; /* Next child */ } while (s != q); r->valptr = r0[r->descend].valptr; /* Inherit first child's value */ } /* End of internal node processing */ return (r - r0); } static nodeptr minSubtreeTip (nodeptr p0, int numsp) { nodeptr minTip, p, testTip; if (/*p0->tip*/ isTip(p0->number, numsp)) return p0; p = p0->next; minTip = minSubtreeTip(p->back, numsp); while ((p = p->next) != p0) { testTip = minSubtreeTip(p->back, numsp); if (cmpTipVal(tipValPtr(testTip), tipValPtr(minTip)) < 0) minTip = testTip; } return minTip; } static nodeptr minTreeTip (nodeptr p, int numsp) { nodeptr minp, minpb; minp = minSubtreeTip(p, numsp); minpb = minSubtreeTip(p->back, numsp); return (cmpTipVal(tipValPtr(minp), tipValPtr(minpb)) < 0 ? minp : minpb); } void saveTree (tree *tr, topol *tpl) /* Save a tree topology in a standard order so that first branches * from a node contain lower value tips than do second branches from * the node. The root tip should have the lowest value of all. */ { /* saveTree */ connptr r; tpl->nextlink = 0; /* Reset link pointer */ r = tpl->links + saveSubtree(minTreeTip(tr->start, tr->rdta->numsp), tpl, tr->rdta->numsp, tr->numBranches); /* Save tree */ r->sibling = 0; tpl->likelihood = tr->likelihood; tpl->start = tr->start; tpl->ntips = tr->ntips; tpl->nextnode = tr->nextnode; tpl->prelabeled = tr->prelabeled; tpl->smoothed = tr->smoothed; } /* saveTree */ boolean restoreTree (topol *tpl, tree *tr) { connptr r; nodeptr p, p0; int i; for (i = 1; i <= 2*(tr->mxtips) - 2; i++) { /* Uses p = p->next at tip */ p0 = p = tr->nodep[i]; do { p->back = (nodeptr) NULL; p = p->next; } while (p != p0); } /* Copy connections from topology */ for (r = tpl->links, i = 0; i < tpl->nextlink; r++, i++) hookup(r->p, r->q, r->z, tr->numBranches); tr->likelihood = tpl->likelihood; tr->start = tpl->start; tr->ntips = tpl->ntips; tr->nextnode = tpl->nextnode; tr->prelabeled = tpl->prelabeled; tr->smoothed = tpl->smoothed; onlyInitrav(tr, tr->start); return TRUE; } boolean restoreTopology (topol *tpl, tree *tr) { connptr r; int i; for (r = tpl->links, i = 0; i < tpl->nextlink; r++, i++) { hookup(r->p, r->q, r->z, tr->numBranches); } tr->likelihood = tpl->likelihood; tr->start = tpl->start; tr->ntips = tpl->ntips; tr->nextnode = tpl->nextnode; tr->prelabeled = tpl->prelabeled; tr->smoothed = tpl->smoothed; onlyInitrav(tr, tr->start); return TRUE; } /* restoreTree */ int initBestTree (bestlist *bt, int newkeep, int numsp) { /* initBestTree */ int i; bt->nkeep = 0; if (bt->ninit <= 0) { if (! (bt->start = setupTopol(numsp))) return 0; bt->ninit = -1; bt->nvalid = 0; bt->numtrees = 0; bt->best = unlikely; bt->improved = FALSE; bt->byScore = (topol **) malloc((newkeep+1) * sizeof(topol *)); bt->byTopol = (topol **) malloc((newkeep+1) * sizeof(topol *)); if (! bt->byScore || ! bt->byTopol) { printf( "initBestTree: malloc failure\n"); return 0; } } else if (ABS(newkeep) > bt->ninit) { if (newkeep < 0) newkeep = -(bt->ninit); else newkeep = bt->ninit; } if (newkeep < 1) { /* Use negative newkeep to clear list */ newkeep = -newkeep; if (newkeep < 1) newkeep = 1; bt->nvalid = 0; bt->best = unlikely; } if (bt->nvalid >= newkeep) { bt->nvalid = newkeep; bt->worst = bt->byScore[newkeep]->likelihood; } else { bt->worst = unlikely; } for (i = bt->ninit + 1; i <= newkeep; i++) { if (! (bt->byScore[i] = setupTopol(numsp))) break; bt->byTopol[i] = bt->byScore[i]; bt->ninit = i; } return (bt->nkeep = MIN(newkeep, bt->ninit)); } /* initBestTree */ void resetBestTree (bestlist *bt) { /* resetBestTree */ bt->best = unlikely; bt->worst = unlikely; bt->nvalid = 0; bt->improved = FALSE; } /* resetBestTree */ boolean freeBestTree(bestlist *bt) { /* freeBestTree */ while (bt->ninit >= 0) freeTopol(bt->byScore[(bt->ninit)--]); /* VALGRIND */ free(bt->byScore); free(bt->byTopol); /* VALGRIND END */ freeTopol(bt->start); return TRUE; } /* freeBestTree */ /* Compare two trees, assuming that each is in standard order. Return * -1 if first preceeds second, 0 if they are identical, or +1 if first * follows second in standard order. Lower number tips preceed higher * number tips. A tip preceeds a corresponding internal node. Internal * nodes are ranked by their lowest number tip. */ int cmpSubtopol (connptr p10, connptr p1, connptr p20, connptr p2) { /* cmpSubtopol */ connptr p1d, p2d; int cmp; if (! p1->descend && ! p2->descend) /* Two tips */ return cmpTipVal(p1->valptr, p2->valptr); if (! p1->descend) return -1; /* p1 = tip, p2 = node */ if (! p2->descend) return 1; /* p2 = tip, p1 = node */ p1d = p10 + p1->descend; p2d = p20 + p2->descend; while (1) { /* Two nodes */ if ((cmp = cmpSubtopol(p10, p1d, p20, p2d))) return cmp; /* Subtrees */ if (! p1d->sibling && ! p2d->sibling) return 0; /* Lists done */ if (! p1d->sibling) return -1; /* One done, other not */ if (! p2d->sibling) return 1; /* One done, other not */ p1d = p10 + p1d->sibling; /* Neither done */ p2d = p20 + p2d->sibling; } } /* cmpSubtopol */ int cmpTopol (void *tpl1, void *tpl2) { /* cmpTopol */ connptr r1, r2; int cmp; r1 = ((topol *) tpl1)->links; r2 = ((topol *) tpl2)->links; cmp = cmpTipVal(tipValPtr(r1->p), tipValPtr(r2->p)); if (cmp) return cmp; return cmpSubtopol(r1, r1, r2, r2); } /* cmpTopol */ int cmpTplScore (void *tpl1, void *tpl2) { /* cmpTplScore */ double l1, l2; l1 = ((topol *) tpl1)->likelihood; l2 = ((topol *) tpl2)->likelihood; return (l1 > l2) ? -1 : ((l1 == l2) ? 0 : 1); } /* cmpTplScore */ /* Find an item in a sorted list of n items. If the item is in the list, * return its index. If it is not in the list, return the negative of the * position into which it should be inserted. */ int findInList (void *item, void *list[], int n, int (* cmpFunc)(void *, void *)) { /* findInList */ int mid, hi, lo, cmp = 0; if (n < 1) return -1; /* No match; first index */ lo = 1; mid = 0; hi = n; while (lo < hi) { mid = (lo + hi) >> 1; cmp = (* cmpFunc)(item, list[mid-1]); if (cmp) { if (cmp < 0) hi = mid; else lo = mid + 1; } else return mid; /* Exact match */ } if (lo != mid) { cmp = (* cmpFunc)(item, list[lo-1]); if (cmp == 0) return lo; } if (cmp > 0) lo++; /* Result of step = 0 test */ return -lo; } /* findInList */ int findTreeInList (bestlist *bt, tree *tr) { /* findTreeInList */ topol *tpl; tpl = bt->byScore[0]; saveTree(tr, tpl); return findInList((void *) tpl, (void **) (& (bt->byTopol[1])), bt->nvalid, cmpTopol); } /* findTreeInList */ int saveBestTree (bestlist *bt, tree *tr) { /* saveBestTree */ topol *tpl, *reuse; int tplNum, scrNum, reuseScrNum, reuseTplNum, i, oldValid, newValid; tplNum = findTreeInList(bt, tr); tpl = bt->byScore[0]; oldValid = newValid = bt->nvalid; if (tplNum > 0) { /* Topology is in list */ reuse = bt->byTopol[tplNum]; /* Matching topol */ reuseScrNum = reuse->scrNum; reuseTplNum = reuse->tplNum; } /* Good enough to keep? */ else if (tr->likelihood < bt->worst) return 0; else { /* Topology is not in list */ tplNum = -tplNum; /* Add to list (not replace) */ if (newValid < bt->nkeep) bt->nvalid = ++newValid; reuseScrNum = newValid; /* Take worst tree */ reuse = bt->byScore[reuseScrNum]; reuseTplNum = (newValid > oldValid) ? newValid : reuse->tplNum; if (tr->likelihood > bt->start->likelihood) bt->improved = TRUE; } scrNum = findInList((void *) tpl, (void **) (& (bt->byScore[1])), oldValid, cmpTplScore); scrNum = ABS(scrNum); if (scrNum < reuseScrNum) for (i = reuseScrNum; i > scrNum; i--) (bt->byScore[i] = bt->byScore[i-1])->scrNum = i; else if (scrNum > reuseScrNum) { scrNum--; for (i = reuseScrNum; i < scrNum; i++) (bt->byScore[i] = bt->byScore[i+1])->scrNum = i; } if (tplNum < reuseTplNum) for (i = reuseTplNum; i > tplNum; i--) (bt->byTopol[i] = bt->byTopol[i-1])->tplNum = i; else if (tplNum > reuseTplNum) { tplNum--; for (i = reuseTplNum; i < tplNum; i++) (bt->byTopol[i] = bt->byTopol[i+1])->tplNum = i; } tpl->scrNum = scrNum; tpl->tplNum = tplNum; bt->byTopol[tplNum] = bt->byScore[scrNum] = tpl; bt->byScore[0] = reuse; if (scrNum == 1) bt->best = tr->likelihood; if (newValid == bt->nkeep) bt->worst = bt->byScore[newValid]->likelihood; return scrNum; } /* saveBestTree */ int recallBestTree (bestlist *bt, int rank, tree *tr) { if (rank < 1) rank = 1; if (rank > bt->nvalid) rank = bt->nvalid; if (rank > 0) if (! restoreTree(bt->byScore[rank], tr)) return FALSE; return rank; } /*=======================================================================*/ /* End of best tree routines */ /*=======================================================================*/ ./arbsrc_9167/GDE/RAxML/treeIO.c0000644012664100000130000011752111213220010016001 0ustar arb_buildcoders/* RAxML-VI-HPC (version 2.2) a program for sequential and parallel estimation of phylogenetic trees * Copyright August 2006 by Alexandros Stamatakis * * Partially derived from * fastDNAml, a program for estimation of phylogenetic trees from sequences by Gary J. Olsen * * and * * Programs of the PHYLIP package by Joe Felsenstein. * * This program is free software; you may redistribute it and/or modify its * under the terms of the GNU General Public License as published by the Free * Software Foundation; either version 2 of the License, or (at your option) * any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY * or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License * for more details. * * * For any other enquiries send an Email to Alexandros Stamatakis * Alexandros.Stamatakis@epfl.ch * * When publishing work that is based on the results from RAxML-VI-HPC please cite: * * Alexandros Stamatakis:"RAxML-VI-HPC: maximum likelihood-based phylogenetic analyses with thousands of taxa and mixed models". * Bioinformatics 2006; doi: 10.1093/bioinformatics/btl446 */ #ifndef WIN32 #include #include #include #include #endif #include #include #include #include #include #include #include "axml.h" extern FILE *INFILE; extern char infoFileName[1024]; extern char tree_file[1024]; extern char *likelihood_key; extern char *ntaxa_key; extern char *smoothed_key; extern int partCount; extern double masterTime; boolean readKeyValue (char *string, char *key, char *format, void *value) { /* readKeyValue */ if (!(string = strstr(string, key))) return FALSE; string += strlen(key); string = strchr(string, '='); if (! (string = strchr(string, '='))) return FALSE; string++; return sscanf(string, format, value); /* 1 if read, otherwise 0 */ } /* readKeyValue */ int lookupBipartition(tree *tr, nodeptr p) { int i, res; int qNum = p->back->number, pNum = p->number; double support; for(i = 0; i < tr->countML_Tree; i++) { if((pNum == tr->ML_Tree[i].pNum && qNum == tr->ML_Tree[i].qNum) || (pNum == tr->ML_Tree[i].qNum && qNum == tr->ML_Tree[i].pNum)) { support = ((double)(tr->ML_Tree[i].support)) / ((double) (tr->numberOfTrees)); #ifdef WIN32 res = (int)floor(0.5 + support * 100.0); #else res = (int)(0.5 + support * 100.0); #endif return res; } } assert(0); /*printf("FATAL ERROR BIPARTITION SUPPORT VALUE NOT FOUND %d\n", p->number);*/ return -1; } static int inIB(nodeptr p, tree *tr) { int i = 0, entries = 2 * tr->mxtips - 5; while(i < entries) { if(p == tr->ib[i].p || p->back == tr->ib[i].p) { assert(tr->ib[i].freq > 0); return tr->ib[i].freq; } i++; } return 0; } static char *Tree2StringREC(char *treestr, tree *tr, nodeptr p, boolean printBranchLengths, boolean printNames, boolean printLikelihood, boolean rellTree, boolean finalPrint, int perGene) { double x, z; char *nameptr; int insertionFrequency = 0; if(tr->ib && p != tr->start) insertionFrequency = inIB(p, tr); else insertionFrequency = 0; if(isTip(p->number, tr->rdta->numsp)) { if(insertionFrequency > 0) { nameptr = tr->nameList[p->number]; sprintf(treestr, "(%s,%s)", tr->nameList[tr->outgroupNums[0]], nameptr); } else { if(printNames) { nameptr = tr->nameList[p->number]; sprintf(treestr, "%s", nameptr); } else sprintf(treestr, "%d", p->number); } while (*treestr) treestr++; } else { if(insertionFrequency > 0) { *treestr++ = '('; sprintf(treestr,"%s", tr->nameList[tr->outgroupNums[0]]); while (*treestr) treestr++; *treestr++ = ','; *treestr++ = '('; treestr = Tree2StringREC(treestr, tr, p->next->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); *treestr++ = ','; treestr = Tree2StringREC(treestr, tr, p->next->next->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); if(p == tr->start->back) { *treestr++ = ','; treestr = Tree2StringREC(treestr, tr, p->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); } *treestr++ = ')'; *treestr++ = ')'; } else { *treestr++ = '('; treestr = Tree2StringREC(treestr, tr, p->next->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); *treestr++ = ','; treestr = Tree2StringREC(treestr, tr, p->next->next->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); if(p == tr->start->back) { *treestr++ = ','; treestr = Tree2StringREC(treestr, tr, p->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); } *treestr++ = ')'; } } if(p == tr->start->back) { if(insertionFrequency > 0) { sprintf(treestr, "%d;\n", insertionFrequency); } else { if(printBranchLengths && !rellTree) sprintf(treestr, ":0.0;\n"); else sprintf(treestr, ";\n"); } } else { if(insertionFrequency > 0) { sprintf(treestr, "%d", insertionFrequency); } else { if(rellTree) { if(( !isTip(p->number, tr->rdta->numsp)) && ( !isTip(p->back->number, tr->rdta->numsp))) { int value = lookupBipartition(tr, p); sprintf(treestr, "%d:%8.20f", value, p->z[0]); } else { sprintf(treestr, ":%8.20f", p->z[0]); } } else { if(printBranchLengths) { assert(perGene != NO_BRANCHES); if(!tr->multiBranch) { assert(tr->fracchange != -1.0); z = p->z[0]; if (z < zmin) z = zmin; x = -log(z) * tr->fracchange; sprintf(treestr, ":%8.20f", x); } else { if(perGene == SUMMARIZE_LH) { int i; double avgX = 0; for(i = 0; i < tr->numBranches; i++) { assert(tr->partitionContributions[i] != -1.0); assert(tr->fracchanges[i] != -1.0); z = p->z[i]; if (z < zmin) z = zmin; x = -log(z) * tr->fracchanges[i]; avgX += x * tr->partitionContributions[i]; } sprintf(treestr, ":%8.20f", avgX); } else { assert(tr->fracchanges[perGene] != -1.0); assert(perGene >= 0 && perGene < tr->numBranches); z = p->z[perGene]; if (z < zmin) z = zmin; x = -log(z) * tr->fracchanges[perGene]; sprintf(treestr, ":%8.20f", x); } } } else sprintf(treestr, "%s", "\0"); } } } while (*treestr) treestr++; return treestr; } static void collectSubtrees(tree *tr, nodeptr *subtrees, int *count, int ogn) { int i; for(i = tr->mxtips + 1; i <= tr->mxtips + tr->mxtips - 2; i++) { nodeptr p, q; p = tr->nodep[i]; if(countTips(p, tr->rdta->numsp) == ogn) { subtrees[*count] = p; *count = *count + 1; } q = p->next; while(q != p) { if(countTips(q, tr->rdta->numsp) == ogn) { subtrees[*count] = q; *count = *count + 1; } q = q->next; } } } static void checkOM(nodeptr p, int *n, int *c, tree *tr) { if(/*p->tip*/ isTip(p->number, tr->rdta->numsp)) { n[*c] = p->number; *c = *c + 1; /*printf("%s ", tr->nameList[p->number]);*/ } else { nodeptr q = p->next; while(q != p) { checkOM(q->back, n, c, tr); q = q->next; } } } static char *rootedTreeREC(char *treestr, tree *tr, nodeptr p, boolean printBranchLengths, boolean printNames, boolean printLikelihood, boolean rellTree, boolean finalPrint, analdef *adef, int perGene) { double x, z; char *nameptr; if(/*p->tip*/ isTip(p->number, tr->rdta->numsp)) { if(printNames) { nameptr = tr->nameList[p->number]; sprintf(treestr, "%s", nameptr); } else sprintf(treestr, "%d", p->number); while (*treestr) treestr++; } else { *treestr++ = '('; treestr = rootedTreeREC(treestr, tr, p->next->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); *treestr++ = ','; treestr = rootedTreeREC(treestr, tr, p->next->next->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); *treestr++ = ')'; } if(rellTree) { /*if(!p->tip && !p->back->tip*)*/ if(!isTip(p->number, tr->rdta->numsp) && !isTip(p->back->number, tr->rdta->numsp)) { /*int value = round(p->z * 100.0);*/ /*sprintf(treestr, ":%f", (p->z));*/ int value = lookupBipartition(tr, p); sprintf(treestr, "%d:%8.20f", value, p->z[0]); } else { /*sprintf(treestr, ":1.000000");*/ sprintf(treestr, ":%8.20f", p->z[0]); } } else { if(printBranchLengths) { assert(perGene != NO_BRANCHES); if(!tr->multiBranch) { assert(tr->fracchange != -1.0); z = p->z[0]; if (z < zmin) z = zmin; x = -log(z) * tr->fracchange; sprintf(treestr, ":%8.20f", x); } else { if(perGene == SUMMARIZE_LH) { int i; double avgX = 0; for(i = 0; i < tr->numBranches; i++) { assert(tr->fracchanges[i] != -1.0); assert(tr->partitionContributions[i] != -1.0); z = p->z[i]; if (z < zmin) z = zmin; x = -log(z) * tr->fracchanges[i]; avgX += x * tr->partitionContributions[i]; } sprintf(treestr, ":%8.20f", avgX); } else { assert(tr->fracchanges[perGene] != -1.0); assert(perGene >= 0 && perGene < tr->numBranches); z = p->z[perGene]; if (z < zmin) z = zmin; x = -log(z) * tr->fracchanges[perGene]; sprintf(treestr, ":%8.20f", x); } } } else sprintf(treestr, "%s", "\0"); } while (*treestr) treestr++; return treestr; } static char *rootedTree(char *treestr, tree *tr, nodeptr p, boolean printBranchLengths, boolean printNames, boolean printLikelihood, boolean rellTree, boolean finalPrint, analdef *adef, int perGene) { double oldz[NUM_BRANCHES]; int i; for(i = 0; i < tr->numBranches; i++) oldz[i] = p->z[i]; if(rellTree) { p->z[0] = p->back->z[0] = oldz[0] * 0.5; /*printf("%f\n", p->z[0]);*/ } else { if(printBranchLengths) { double rz, z; assert(perGene != NO_BRANCHES); if(!tr->multiBranch) { assert(tr->fracchange != -1.0); z = -log(p->z[0]) * tr->fracchange; rz = exp(-(z * 0.5)/ tr->fracchange); p->z[0] = p->back->z[0] = rz; } else { if(perGene == SUMMARIZE_LH) { int i; for(i = 0; i < tr->numBranches; i++) { assert(tr->fracchanges[i] != -1.0); z = -log(p->z[i]) * tr->fracchanges[i]; rz = exp(-(z * 0.5)/ tr->fracchanges[i]); p->z[i] = p->back->z[i] = rz; } } else { assert(tr->fracchanges[perGene] != -1.0); assert(perGene >= 0 && perGene < tr->numBranches); z = -log(p->z[perGene]) * tr->fracchanges[perGene]; rz = exp(-(z * 0.5)/ tr->fracchanges[perGene]); p->z[perGene] = p->back->z[perGene] = rz; } } } } *treestr = '('; treestr++; treestr = rootedTreeREC(treestr, tr, p, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); *treestr = ','; treestr++; treestr = rootedTreeREC(treestr, tr, p->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); sprintf(treestr, ");\n"); while (*treestr) treestr++; for(i = 0; i < tr->numBranches; i++) p->z[i] = p->back->z[i] = oldz[i]; return treestr; } char *Tree2String(char *treestr, tree *tr, nodeptr p, boolean printBranchLengths, boolean printNames, boolean printLikelihood, boolean rellTree, boolean finalPrint, analdef *adef, int perGene) { if(finalPrint && adef->outgroup) { nodeptr startNode = tr->start; if(tr->numberOfOutgroups > 1) { nodeptr root; nodeptr *subtrees = (nodeptr *)malloc(sizeof(nodeptr) * tr->mxtips); int i, k, count = 0; int *nodeNumbers = (int*)malloc(sizeof(int) * tr->numberOfOutgroups); int *foundVector = (int*)malloc(sizeof(int) * tr->numberOfOutgroups); boolean monophyletic = FALSE; collectSubtrees(tr, subtrees, &count, tr->numberOfOutgroups); /*printf("Found %d subtrees of size %d\n", count, tr->numberOfOutgroups);*/ for(i = 0; (i < count) && (!monophyletic); i++) { int l, sum, nc = 0; for(k = 0; k < tr->numberOfOutgroups; k++) { nodeNumbers[k] = -1; foundVector[k] = 0; } checkOM(subtrees[i], nodeNumbers, &nc, tr); for(l = 0; l < tr->numberOfOutgroups; l++) for(k = 0; k < tr->numberOfOutgroups; k++) { if(nodeNumbers[l] == tr->outgroupNums[k]) foundVector[l] = 1; } sum = 0; for(l = 0; l < tr->numberOfOutgroups; l++) sum += foundVector[l]; if(sum == tr->numberOfOutgroups) { root = subtrees[i]; tr->start = root; /*printf("outgroups are monphyletic!\n");*/ monophyletic = TRUE; } else { if(sum > 0) { /*printf("outgroups are NOT monophyletic!\n");*/ monophyletic = FALSE; } } } if(!monophyletic) { printf("WARNING, outgroups are not monophyletic, using first outgroup \"%s\"\n", tr->nameList[tr->outgroupNums[0]]); printf("from the list to root the tree!\n"); #ifndef PARALLEL { FILE *infoFile = fopen(infoFileName, "a"); fprintf(infoFile, "\nWARNING, outgroups are not monophyletic, using first outgroup \"%s\"\n", tr->nameList[tr->outgroupNums[0]]); fprintf(infoFile, "from the list to root the tree!\n"); fclose(infoFile); } #endif tr->start = tr->nodep[tr->outgroupNums[0]]; /*Tree2StringREC(treestr, tr, tr->start->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint);*/ rootedTree(treestr, tr, tr->start->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); } else { if(/*tr->start->tip*/ isTip(tr->start->number, tr->rdta->numsp)) { printf("Outgroup-Monophyly ERROR; tr->start is a tip \n"); errorExit(-1); } if(/*tr->start->back->tip*/ isTip(tr->start->back->number, tr->rdta->numsp)) { printf("Outgroup-Monophyly ERROR; tr->start is a tip \n"); errorExit(-1); } /* Tree2StringREC(treestr, tr, tr->start->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint);*/ rootedTree(treestr, tr, tr->start->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); } free(foundVector); free(nodeNumbers); free(subtrees); } else { /*printf("Skipping Monophyly Check, only one outgroup\n");*/ tr->start = tr->nodep[tr->outgroupNums[0]]; /*printf("%d\n", tr->outgroupNums[0]);*/ /*Tree2StringREC(treestr, tr, tr->start->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint); */ rootedTree(treestr, tr, tr->start->back, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, adef, perGene); } tr->start = startNode; } else { Tree2StringREC(treestr, tr, p, printBranchLengths, printNames, printLikelihood, rellTree, finalPrint, perGene); } while (*treestr) treestr++; return treestr; } void printTreePerGene(tree *tr, analdef *adef, char *fileName, char *permission) { FILE *treeFile; char extendedTreeFileName[1024]; char buf[16]; int i; assert(adef->perGeneBranchLengths); for(i = 0; i < tr->numBranches; i++) { strcpy(extendedTreeFileName, fileName); sprintf(buf,"%d", i); strcat(extendedTreeFileName, ".PARTITION."); strcat(extendedTreeFileName, buf); /*printf("Partitiuon %d file %s\n", i, extendedTreeFileName);*/ Tree2String(tr->tree_string, tr, tr->start->back, TRUE, TRUE, FALSE, FALSE, TRUE, adef, i); treeFile = fopen(extendedTreeFileName, permission); fprintf(treeFile, "%s", tr->tree_string); fclose(treeFile); } } /*=======================================================================*/ /* Read a tree from a file */ /*=======================================================================*/ /* 1.0.A Processing of quotation marks in comment removed */ int treeFinishCom (FILE *fp, char **strp) { /* treeFinishCom */ int ch; while ((ch = getc(fp)) != EOF && ch != ']') { if (strp != NULL) *(*strp)++ = ch; /* save character */ if (ch == '[') { /* nested comment; find its end */ if ((ch = treeFinishCom(fp, strp)) == EOF) break; if (strp != NULL) *(*strp)++ = ch; /* save closing ] */ } } if (strp != NULL) **strp = '\0'; /* terminate string */ return ch; } /* treeFinishCom */ int treeGetCh (FILE *fp) /* get next nonblank, noncomment character */ { /* treeGetCh */ int ch; while ((ch = getc(fp)) != EOF) { if (whitechar(ch)) ; else if (ch == '[') { /* comment; find its end */ if ((ch = treeFinishCom(fp, (char **) NULL)) == EOF) break; } else break; } return ch; } /* treeGetCh */ boolean treeLabelEnd (int ch) { /* treeLabelEnd */ switch (ch) { case EOF: case '\0': case '\t': case '\n': case '\r': case ' ': case ':': case ',': case '(': case ')': /*case '[':*/ case ';': return TRUE; default: break; } return FALSE; } /* treeLabelEnd */ boolean treeGetLabel (FILE *fp, char *lblPtr, int maxlen) { /* treeGetLabel */ int ch; boolean done, quoted, lblfound; if (--maxlen < 0) lblPtr = (char *) NULL; /* reserves space for '\0' */ else if (lblPtr == NULL) maxlen = 0; ch = getc(fp); done = treeLabelEnd(ch); lblfound = ! done; quoted = (ch == '\''); if (quoted && ! done) {ch = getc(fp); done = (ch == EOF);} while (! done) { if (quoted) { if (ch == '\'') {ch = getc(fp); if (ch != '\'') break;} } else if (treeLabelEnd(ch)) break; /* else if (ch == '_') ch = ' ';*/ /* unquoted _ goes to space */ if (--maxlen >= 0) *lblPtr++ = ch; ch = getc(fp); if (ch == EOF) break; } if (ch != EOF) (void) ungetc(ch, fp); if (lblPtr != NULL) *lblPtr = '\0'; return lblfound; } /* treeGetLabel */ boolean treeFlushLabel (FILE *fp) { /* treeFlushLabel */ return treeGetLabel(fp, (char *) NULL, (int) 0); } /* treeFlushLabel */ int treeFindTipByLabel (char *str, tree *tr) /* str -- label string pointer */ { /* treeFindTipByLabel */ nodeptr q; char *nameptr; int ch, i, n; boolean found; for (n = 1; n <= tr->mxtips; n++) { q = tr->nodep[n]; if (! (q->back)) { i = 0; nameptr = tr->nameList[q->number]; while ((found = (str[i++] == (ch = *nameptr++))) && ch) ; if (found) return n; /* Uncomment this to read NEXUS-style trees with taxon number instead of names i = 0; numptr = num; sprintf(numptr,"%d", q->number); while((found = (str[i++] == (ch = *numptr++))) && ch) ; if (found) return n; */ } } printf("ERROR: Cannot find tree species: %s\n", str); return 0; } /* treeFindTipByLabel */ int treeFindTipName (FILE *fp, tree *tr) { /* treeFindTipName */ char *nameptr, str[nmlngth+2]; int n; if (tr->prelabeled) { if (treeGetLabel(fp, str, nmlngth+2)) n = treeFindTipByLabel(str, tr); else n = 0; } else if (tr->ntips < tr->mxtips) { n = tr->ntips + 1; nameptr = tr->nameList[n]; if (! treeGetLabel(fp, nameptr, nmlngth+1)) n = 0; } else { n = 0; } return n; } /* treeFindTipName */ void treeEchoContext (FILE *fp1, FILE *fp2, int n) { /* treeEchoContext */ int ch; boolean waswhite; waswhite = TRUE; while (n > 0 && ((ch = getc(fp1)) != EOF)) { if (whitechar(ch)) { ch = waswhite ? '\0' : ' '; waswhite = TRUE; } else { waswhite = FALSE; } if (ch > '\0') {putc(ch, fp2); n--;} } } /* treeEchoContext */ boolean treeProcessLength (FILE *fp, double *dptr) { /* treeProcessLength */ int ch; if ((ch = treeGetCh(fp)) == EOF) return FALSE; /* Skip comments */ (void) ungetc(ch, fp); if (fscanf(fp, "%lf", dptr) != 1) { printf("ERROR: treeProcessLength: Problem reading branch length\n"); treeEchoContext(fp, stdout, 40); printf("\n"); return FALSE; } return TRUE; } /* treeProcessLength */ int treeFlushLen (FILE *fp) { /* treeFlushLen */ double dummy; int ch; ch = treeGetCh(fp); if (ch == ':') { ch = treeGetCh(fp); ungetc(ch, fp); if(!treeProcessLength(fp, & dummy)) return 0; return 1; } if (ch != EOF) (void) ungetc(ch, fp); return 1; } /* treeFlushLen */ boolean treeNeedCh (FILE *fp, int c1, char *where) { /* treeNeedCh */ int c2; if ((c2 = treeGetCh(fp)) == c1) return TRUE; printf("ERROR: Expecting '%c' %s tree; found:", c1, where); if (c2 == EOF) { printf("End-of-File"); } else { ungetc(c2, fp); treeEchoContext(fp, stdout, 40); } putchar('\n'); return FALSE; } /* treeNeedCh */ boolean addElementLen (FILE *fp, tree *tr, nodeptr p, boolean readBranchLengths) { nodeptr q; int n, ch, fres; if ((ch = treeGetCh(fp)) == '(') { n = (tr->nextnode)++; if (n > 2*(tr->mxtips) - 2) { if (tr->rooted || n > 2*(tr->mxtips) - 1) { printf("ERROR: Too many internal nodes. Is tree rooted?\n"); printf(" Deepest splitting should be a trifurcation.\n"); return FALSE; } else { tr->rooted = TRUE; } } q = tr->nodep[n]; if (! addElementLen(fp, tr, q->next, readBranchLengths)) return FALSE; if (! treeNeedCh(fp, ',', "in")) return FALSE; if (! addElementLen(fp, tr, q->next->next, readBranchLengths)) return FALSE; if (! treeNeedCh(fp, ')', "in")) return FALSE; (void) treeFlushLabel(fp); } else { ungetc(ch, fp); if ((n = treeFindTipName(fp, tr)) <= 0) return FALSE; q = tr->nodep[n]; if (tr->start->number > n) tr->start = q; (tr->ntips)++; } if(readBranchLengths) { double branch; if (! treeNeedCh(fp, ':', "in")) return FALSE; if (! treeProcessLength(fp, &branch)) return FALSE; /*printf("Branch %8.20f\n", branch);*/ hookup(p, q, &branch, tr->numBranches); } else { fres = treeFlushLen(fp); if(!fres) return FALSE; hookupDefault(p, q, tr->numBranches); } return TRUE; } int saveTreeCom (char **comstrp) { /* saveTreeCom */ int ch; boolean inquote; inquote = FALSE; while ((ch = getc(INFILE)) != EOF && (inquote || ch != ']')) { *(*comstrp)++ = ch; /* save character */ if (ch == '[' && ! inquote) { /* comment; find its end */ if ((ch = saveTreeCom(comstrp)) == EOF) break; *(*comstrp)++ = ch; /* add ] */ } else if (ch == '\'') inquote = ! inquote; /* start or end of quote */ } return ch; } /* saveTreeCom */ boolean processTreeCom (FILE *fp, tree *tr) { /* processTreeCom */ int text_started, functor_read, com_open; /* Accept prefatory "phylip_tree(" or "pseudoNewick(" */ functor_read = text_started = 0; (void) fscanf(fp, " p%nhylip_tree(%n", & text_started, & functor_read); if (text_started && ! functor_read) { (void) fscanf(fp, "seudoNewick(%n", & functor_read); if (! functor_read) { printf("Start of tree 'p...' not understood.\n"); return FALSE; } } com_open = 0; (void) fscanf(fp, " [%n", & com_open); if (com_open) { /* comment; read it */ char com[1024], *com_end; com_end = com; if (treeFinishCom(fp, & com_end) == EOF) { /* omits enclosing []s */ printf("Missing end of tree comment\n"); return FALSE; } (void) readKeyValue(com, likelihood_key, "%lg", (void *) &(tr->likelihood)); (void) readKeyValue(com, smoothed_key, "%d", (void *) &(tr->smoothed)); if (functor_read) (void) fscanf(fp, " ,"); /* remove trailing comma */ } return (functor_read > 0); } /* processTreeCom */ static nodeptr uprootTree (tree *tr, nodeptr p, boolean readBranchLengths) { nodeptr q, r, s, start; int n; if (isTip(p->number, tr->rdta->numsp) || p->back) { printf("ERROR: Unable to uproot tree.\n"); printf(" Inappropriate node marked for removal.\n"); exit(-1); return (nodeptr) NULL; } n = --(tr->nextnode); /* last internal node added */ if (n != tr->mxtips + tr->ntips - 1) { printf("ERROR: Unable to uproot tree. Inconsistent\n"); printf(" number of tips and nodes for rooted tree.\n"); exit(-1); return (nodeptr) NULL; } q = p->next->back; /* remove p from tree */ r = p->next->next->back; if(readBranchLengths) { double b[NUM_BRANCHES]; int i; for(i = 0; i < tr->numBranches; i++) b[i] = (r->z[i] + q->z[i]); hookup (q, r, b, tr->numBranches); } else { hookupDefault(q, r, tr->numBranches); } if(tr->grouped) { /*printf("P-NUMBER %d Grouping %d\n", p->number, tr->constraintVector[p->number]);*/ if(tr->constraintVector[p->number] != 0) { printf("Root node to remove shooud have top-level grouping of 0\n"); exit(-1); } } /*start = (r->tip || (! q->tip)) ? r : r->next->next->back;*/ start = (isTip(r->number, tr->rdta->numsp) || (! isTip(q->number, tr->rdta->numsp))) ? r : r->next->next->back; if(tr->ntips > 2 && p->number != n) { q = tr->nodep[n]; /* transfer last node's conections to p */ r = q->next; s = q->next->next; if(tr->grouped) { tr->constraintVector[p->number] = tr->constraintVector[q->number]; } hookup(p, q->back, q->z, tr->numBranches); /* move connections to p */ hookup(p->next, r->back, r->z, tr->numBranches); hookup(p->next->next, s->back, s->z, tr->numBranches); if (start->number == q->number) start = start->back->back; q->back = r->back = s->back = (nodeptr) NULL; } else { p->back = p->next->back = p->next->next->back = (nodeptr) NULL; } /* first bug for version 7.0.0 tip-assertion in determineFullTraversal fails ! */ start = findAnyTip(start, tr->rdta->numsp); tr->rooted = FALSE; return start; } boolean treeReadLen (FILE *fp, tree *tr, analdef *adef) { nodeptr p; int i, ch; boolean is_fact; for (i = 1; i <= tr->mxtips; i++) tr->nodep[i]->back = (node *) NULL; tr->start = tr->nodep[1]; tr->ntips = 0; tr->nextnode = tr->mxtips + 1; tr->smoothed = FALSE; tr->rooted = FALSE; is_fact = processTreeCom(fp, tr); p = tr->nodep[(tr->nextnode)++]; while((ch = treeGetCh(fp)) != '('); if (! addElementLen(fp, tr, p, FALSE)) return FALSE; if (! treeNeedCh(fp, ',', "in")) return FALSE; if (! addElementLen(fp, tr, p->next, FALSE)) return FALSE; if (! tr->rooted) { if ((ch = treeGetCh(fp)) == ',') { if (! addElementLen(fp, tr, p->next->next, FALSE)) return FALSE; } else { /* A rooted format */ tr->rooted = TRUE; if (ch != EOF) (void) ungetc(ch, fp); } } else { p->next->next->back = (nodeptr) NULL; } if (! treeNeedCh(fp, ')', "in")) return FALSE; (void) treeFlushLabel(fp); if (! treeFlushLen(fp)) return FALSE; if (is_fact) { if (! treeNeedCh(fp, ')', "at end of")) return FALSE; if (! treeNeedCh(fp, '.', "at end of")) return FALSE; } else { if (! treeNeedCh(fp, ';', "at end of")) return FALSE; } if (tr->rooted) { p->next->next->back = (nodeptr) NULL; tr->start = uprootTree(tr, p->next->next, FALSE); if (! tr->start) { printf("FATAL ERROR UPROOTING TREE\n"); exit(-1); } } else { /* tr->start = p->next->next->back; This is start used by treeString */ tr->start = findAnyTip(p, tr->rdta->numsp); } if(tr->ntips < tr->mxtips) { if(adef->rapidML_Addition) { printf("You provided an incomplete starting tree %d alignmnet has %d taxa\n", tr->ntips, tr->mxtips); rapidML_Addition(tr, adef); } else { /*printf("You provided an incomplete starting tree %d alignmnet has %d taxa\n", tr->ntips, tr->mxtips);*/ freeNodex(tr); makeParsimonyTreeIncomplete(tr, adef); allocNodex(tr, adef); } } else { if(adef->mode == PARSIMONY_ADDITION) { printf("Error you want to add sequences to a trees via MP stepwise addition, but \n"); printf("you have provided an input tree that already contains all taxa\n"); exit(-1); } } onlyInitrav(tr, tr->start); return TRUE; } void treeReadTopologyOnly (FILE *fp, tree *tr, analdef *adef, boolean readBranches) { nodeptr p; int i, ch; boolean is_fact; for (i = 1; i <= tr->mxtips; i++) tr->nodep[i]->back = (node *) NULL; tr->start = tr->nodep[tr->mxtips]; tr->ntips = 0; tr->nextnode = tr->mxtips + 1; tr->smoothed = FALSE; tr->rooted = FALSE; is_fact = processTreeCom(fp, tr); p = tr->nodep[(tr->nextnode)++]; while((ch = treeGetCh(fp)) != '('); if (! addElementLen(fp, tr, p, readBranches)) exit(-1); if (! treeNeedCh(fp, ',', "in")) exit(-1); if (! addElementLen(fp, tr, p->next, readBranches)) exit(-1); if (! tr->rooted) { if ((ch = treeGetCh(fp)) == ',') { if (! addElementLen(fp, tr, p->next->next, readBranches)) exit(-1); } else { tr->rooted = TRUE; if (ch != EOF) (void) ungetc(ch, fp); } } else { p->next->next->back = (nodeptr) NULL; } if (! treeNeedCh(fp, ')', "in")) exit(-1); (void) treeFlushLabel(fp); if (! treeFlushLen(fp)) exit(-1); if (is_fact) { if (! treeNeedCh(fp, ')', "at end of")) exit(-1); if (! treeNeedCh(fp, '.', "at end of")) exit(-1); } else { if (! treeNeedCh(fp, ';', "at end of")) exit(-1); } if (tr->rooted) { p->next->next->back = (nodeptr) NULL; tr->start = uprootTree(tr, p->next->next, readBranches); if (! tr->start) { printf("FATAL ERROR UPROOTING TREE\n"); exit(-1); } } else { /* tr->start = p->next->next->back; This is start used by treeString */ tr->start = findAnyTip(p, tr->rdta->numsp); } if(tr->ntips < tr->mxtips) { #ifdef DEBUG_CONSTRAINTS printf("You provided an incomplete starting tree %d alignmnet has %d taxa\n", tr->ntips, tr->mxtips); #endif freeNodex(tr); makeParsimonyTreeIncomplete(tr, adef); allocNodex(tr, adef); } return; } /********************************MULTIFURCATIONS************************************************/ boolean addElementLenMULT (FILE *fp, tree *tr, nodeptr p, int partitionCounter) { nodeptr q, r, s; int n, ch, fres, rn; double randomResolution; int old; tr->constraintVector[p->number] = partitionCounter; if ((ch = treeGetCh(fp)) == '(') { partCount++; old = partCount; n = (tr->nextnode)++; if (n > 2*(tr->mxtips) - 2) { if (tr->rooted || n > 2*(tr->mxtips) - 1) { printf("ERROR: Too many internal nodes. Is tree rooted?\n"); printf(" Deepest splitting should be a trifurcation.\n"); return FALSE; } else { tr->rooted = TRUE; } } q = tr->nodep[n]; tr->constraintVector[q->number] = partCount; if (! addElementLenMULT(fp, tr, q->next, old)) return FALSE; if (! treeNeedCh(fp, ',', "in")) return FALSE; if (! addElementLenMULT(fp, tr, q->next->next, old)) return FALSE; hookupDefault(p, q, tr->numBranches); while((ch = treeGetCh(fp)) == ',') { n = (tr->nextnode)++; if (n > 2*(tr->mxtips) - 2) { if (tr->rooted || n > 2*(tr->mxtips) - 1) { printf("ERROR: Too many internal nodes. Is tree rooted?\n"); printf(" Deepest splitting should be a trifurcation.\n"); return FALSE; } else { tr->rooted = TRUE; } } r = tr->nodep[n]; tr->constraintVector[r->number] = partCount; rn = randomInt(10000); if(rn == 0) randomResolution = 0; else randomResolution = ((double)rn)/10000.0; #ifdef DEBUG_CONSTRAINTS if(1) #endif #ifndef DEBUG_CONSTRAINTS if(randomResolution < 0.5) #endif { s = q->next->back; r->back = q->next; q->next->back = r; r->next->back = s; s->back = r->next; addElementLenMULT(fp, tr, r->next->next, old); } else { s = q->next->next->back; r->back = q->next->next; q->next->next->back = r; r->next->back = s; s->back = r->next; addElementLenMULT(fp, tr, r->next->next, old); } } if(ch != ')') { printf("Missing /) in treeReadLenMULT\n"); exit(-1); } (void) treeFlushLabel(fp); } else { ungetc(ch, fp); if ((n = treeFindTipName(fp, tr)) <= 0) return FALSE; q = tr->nodep[n]; tr->constraintVector[q->number] = partitionCounter; #ifdef DEBUG_CONSTRAINTS printf("%s\n", tr->nameList[q->number]); #endif if (tr->start->number > n) tr->start = q; (tr->ntips)++; hookupDefault(p, q, tr->numBranches); } fres = treeFlushLen(fp); if(!fres) return FALSE; return TRUE; } boolean treeReadLenMULT (FILE *fp, tree *tr, analdef *adef) { nodeptr p, r, s; int i, ch, n, rn; int partitionCounter = 0; double randomResolution; srand((unsigned int) time(NULL)); /*tr->constraintVector = (int *)malloc((2 * tr->mxtips) * sizeof(int));*/ for(i = 0; i < 2 * tr->mxtips; i++) tr->constraintVector[i] = -1; for (i = 1; i <= tr->mxtips; i++) tr->nodep[i]->back = (node *) NULL; tr->start = tr->nodep[tr->mxtips]; tr->ntips = 0; tr->nextnode = tr->mxtips + 1; tr->smoothed = FALSE; tr->rooted = FALSE; p = tr->nodep[(tr->nextnode)++]; while((ch = treeGetCh(fp)) != '('); if (! addElementLenMULT(fp, tr, p, partitionCounter)) return FALSE; if (! treeNeedCh(fp, ',', "in")) return FALSE; if (! addElementLenMULT(fp, tr, p->next, partitionCounter)) return FALSE; if (! tr->rooted) { if ((ch = treeGetCh(fp)) == ',') { if (! addElementLenMULT(fp, tr, p->next->next, partitionCounter)) return FALSE; while((ch = treeGetCh(fp)) == ',') { n = (tr->nextnode)++; assert(n <= 2*(tr->mxtips) - 2); r = tr->nodep[n]; tr->constraintVector[r->number] = partitionCounter; rn = randomInt(10000); if(rn == 0) randomResolution = 0; else randomResolution = ((double)rn)/10000.0; #ifdef DEBUG_CONSTRAINTS if(1); #endif #ifndef DEBUG_CONSTRAINTS if(randomResolution < 0.5) #endif { s = p->next->next->back; r->back = p->next->next; p->next->next->back = r; r->next->back = s; s->back = r->next; addElementLenMULT(fp, tr, r->next->next, partitionCounter); } else { s = p->next->back; r->back = p->next; p->next->back = r; r->next->back = s; s->back = r->next; addElementLenMULT(fp, tr, r->next->next, partitionCounter); } } if(ch != ')') { printf("Missing /) in treeReadLenMULT\n"); exit(-1); } else ungetc(ch, fp); } else { tr->rooted = TRUE; if (ch != EOF) (void) ungetc(ch, fp); } } else { p->next->next->back = (nodeptr) NULL; } if (! treeNeedCh(fp, ')', "in")) return FALSE; (void) treeFlushLabel(fp); if (! treeFlushLen(fp)) return FALSE; if (! treeNeedCh(fp, ';', "at end of")) return FALSE; if (tr->rooted) { /* printf("ROOTED\n"); */ p->next->next->back = (nodeptr) NULL; tr->start = uprootTree(tr, p->next->next, FALSE); if (! tr->start) return FALSE; } else { /* printf("UNROOTED\n"); tr->start = p->next->next->back; This is start used by treeString */ tr->start = findAnyTip(p, tr->rdta->numsp); } if(tr->ntips < tr->mxtips) { #ifdef DEBUG_CONSTRAINTS printf("You provided an incomplete multifurcating constraint tree %d alignmnet has %d taxa\n", tr->ntips, tr->mxtips); #endif freeNodex(tr); makeParsimonyTreeIncomplete(tr, adef); allocNodex(tr, adef); } onlyInitrav(tr, tr->start); return TRUE; } void getStartingTree(tree *tr, analdef *adef) { tr->likelihood = unlikely; if(adef->restart) { allocNodex(tr, adef); INFILE = fopen(tree_file, "r"); if (!INFILE) { printf( "Could not open input tree: %s\n", tree_file); exit(-1); } if(!adef->grouping) { if (! treeReadLen(INFILE, tr, adef)) exit(-1); } else { partCount = 0; if (! treeReadLenMULT(INFILE, tr, adef)) exit(-1); } if(adef->mode == PARSIMONY_ADDITION) return; #ifdef _MULTI_GENE evaluateGenericInitrav(tr, tr->start); #endif #ifndef _MULTI_GENE treeEvaluate(tr, 1); #endif fclose(INFILE); } else { assert(adef->mode != PARSIMONY_ADDITION); if(adef->randomStartingTree) makeRandomTree(tr, adef); else makeParsimonyTree(tr, adef); if(adef->startingTreeOnly) { printStartingTree(tr, adef, TRUE); exit(0); } else printStartingTree(tr, adef, FALSE); allocNodex(tr, adef); evaluateGenericInitrav(tr, tr->start); /*printf("%f \n", tr->likelihood); */ #ifndef _MULTI_GENE treeEvaluate(tr, 1); #endif /*printf("%f \n", tr->likelihood); */ } tr->start = tr->nodep[1]; } ./arbsrc_9167/GDE/README0000644012664100000130000000045011213220011014374 0ustar arb_buildcoders Programs in GDE subfolders are not related to GDE. Only the method how they are called is similar to the method introduced by GDE. That method uses a scriptable menu configuration, defining parameters and how to pass them to the single programs. That menus are configured by ../GDEHELP/MENUS ./arbsrc_9167/GDE/SUPPORT/CAP2.c0000644012664100000130000016525011440742777015571 0ustar arb_buildcoders/* CONTIG ASSEMBLY PROGRAM (CAP) copyright (c) 1991 Xiaoqiu Huang The distribution of the program is granted provided no charge is made and the copyright notice is included. Proper attribution of the author as the source of the software would be appreciated: "A Contig Assembly Program Based on Sensitive Detection of Fragment Overlaps" (submitted to Genomics, 1991) Xiaoqiu Huang Department of Computer Science Michigan Technological University Houghton, MI 49931 E-mail: huang@cs.mtu.edu The CAP program uses a dynamic programming algorithm to compute the maximal-scoring overlapping alignment between two fragments. Fragments in random orientations are assembled into contigs by a greedy approach in order of the overlap scores. CAP is efficient in computer memory: a large number of arbitrarily long fragments can be assembled. The time requirement is acceptable; for example, CAP took 4 hours to assemble 1015 fragments of a total of 252 kb nucleotides on a Sun SPARCstation SLC. The program is written in C and runs on Sun workstations. Below is a description of the parameters in the #define section of CAP. Two specially chosen sets of substitution scores and indel penalties are used by the dynamic programming algorithm: heavy set for regions of low sequencing error rates and light set for fragment ends of high sequencing error rates. (Use integers only.) Heavy set: Light set: MATCH = 2 MATCH = 2 MISMAT = -6 LTMISM = -3 EXTEND = 4 LTEXTEN = 2 In the initial assembly, any overlap must be of length at least OVERLEN, and any overlap/containment must be of identity percentage at least PERCENT. After the initial assembly, the program attempts to join contigs together using weak overlaps. Two contigs are merged if the score of the overlapping alignment is at least CUTOFF. The value for CUTOFF is chosen according to the value for MATCH. DELTA is a parameter in necessary conditions for overlap/containment. Those conditions are used to quickly reject pairs of fragments that could not possibly have an overlap/containment relationship. The dynamic programming algorithm is only applied to pairs of fragments that pass the screening. A large value for DELTA means stringent conditions, where the value for DELTA is a real number at least 8.0. POS5 and POS3 are fragment positions such that the 5' end between base 1 and base POS5, and the 3' end after base POS3 are of high sequencing error rates, say more than 5%. For mismatches and indels occurring in the two ends, light penalties are used. A file of input fragments looks like: >G019uabh ATACATCATAACACTACTTCCTACCCATAAGCTCCTTTTAACTTGTTAAA GTCTTGCTTGAATTAAAGACTTGTTTAAACACAAAAATTTAGAGTTTTAC TCAACAAAAGTGATTGATTGATTGATTGATTGATTGATGGTTTACAGTAG GACTTCATTCTAGTCATTATAGCTGCTGGCAGTATAACTGGCCAGCCTTT AATACATTGCTGCTTAGAGTCAAAGCATGTACTTAGAGTTGGTATGATTT ATCTTTTTGGTCTTCTATAGCCTCCTTCCCCATCCCCATCAGTCTTAATC AGTCTTGTTACGTTATGACTAATCTTTGGGGATTGTGCAGAATGTTATTT TAGATAAGCAAAACGAGCAAAATGGGGAGTTACTTATATTTCTTTAAAGC >G028uaah CATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTGAATTAAAGACTTGTT TAAACACAAAATTTAGACTTTTACTCAACAAAAGTGATTGATTGATTGAT TGATTGATTGATGGTTTACAGTAGGACTTCATTCTAGTCATTATAGCTGC TGGCAGTATAACTGGCCAGCCTTTAATACATTGCTGCTTAGAGTCAAAGC ATGTACTTAGAGTTGGTATGATTTATCTTTTTGGTCTTCTATAGCCTCCT TCCCCATCCCATCAGTCT >G022uabh TATTTTAGAGACCCAAGTTTTTGACCTTTTCCATGTTTACATCAATCCTG TAGGTGATTGGGCAGCCATTTAAGTATTATTATAGACATTTTCACTATCC CATTAAAACCCTTTATGCCCATACATCATAACACTACTTCCTACCCATAA GCTCCTTTTAACTTGTTAAAGTCTTGCTTGAATTAAAGACTTGTTTAAAC ACAAAATTTAGACTTTTACTCAACAAAAGTGATTGATTGATTGATTGATT GATTGAT >G023uabh AATAAATACCAAAAAAATAGTATATCTACATAGAATTTCACATAAAATAA ACTGTTTTCTATGTGAAAATTAACCTAAAAATATGCTTTGCTTATGTTTA AGATGTCATGCTTTTTATCAGTTGAGGAGTTCAGCTTAATAATCCTCTAC GATCTTAAACAAATAGGAAAAAAACTAAAAGTAGAAAATGGAAATAAAAT GTCAAAGCATTTCTACCACTCAGAATTGATCTTATAACATGAAATGCTTT TTAAAAGAAAATATTAAAGTTAAACTCCCCTATTTTGCTCGTTTTTGCTT ATCTAAAATACATTCTGCACAATCCCCAAAGATTGATCATACGTTAC >G006uaah ACATAAAATAAACTGTTTTCTATGTGAAAATTAACCTANNATATGCTTTG CTTATGTTTAAGATGTCATGCTTTTTATCAGTTGAGGAGTTCAGCTTAAT AATCCTCTAAGATCTTAAACAAATAGGAAAAAAACTAAAAGTAGAAAATG GAAATAAAATGTCAAAGCATTTCTACCACTCAGAATTGATCTTATAACAT GAAATGCTTTTTAAAAGAAAATATTAAAGTTAAACTCCCC A string after ">" is the name of the following fragment. Only the five upper-case letters A, C, G, T and N are allowed to appear in fragment data. No other characters are allowed. A common mistake is the use of lower case letters in a fragment. To run the program, type a command of form cap file_of_fragments The output goes to the terminal screen. So redirection of the output into a file is necessary. The output consists of three parts: overview of contigs at fragment level, detailed display of contigs at nucleotide level, and consensus sequences. '+' = direct orientation; '-' = reverse complement The output of CAP on the sample input data looks like: #Contig 1 #G022uabh+(0) TATTTTAGAGACCCAAGTTTTTGACCTTTTCCATGTTTACATCAATCCTGTAGGTGATTG GGCAGCCATTTAAGTATTATTATAGACATTTTCACTATCCCATTAAAACCCTTTATGCCC ATACATCATAACACTACTTCCTACCCATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTG AATTAAAGACTTGTTTAAACACAAAA-TTTAGACTTTTACTCAACAAAAGTGATTGATTG ATTGATTGATTGATTGAT #G028uaah+(145) CATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTGAATTAAAGACTTGTTTAAACACAAA A-TTTAGACTTTTACTCAACAAAAGTGATTGATTGATTGATTGATTGATTGATGGTTTAC AGTAGGACTTCATTCTAGTCATTATAGCTGCTGGCAGTATAACTGGCCAGCCTTTAATAC ATTGCTGCTTAGAGTCAAAGCATGTACTTAGAGTTGGTATGATTTATCTTTTTGGTCTTC TATAGCCTCCTTCCCCATCCC-ATCAGTCT #G019uabh+(120) ATACATCATAACACTACTTCCTACCCATAAGCTCCTTTTAACTTGTTAAAGTCTTGCTTG AATTAAAGACTTGTTTAAACACAAAAATTTAGAGTTTTACTCAACAAAAGTGATTGATTG ATTGATTGATTGATTGATGGTTTACAGTAGGACTTCATTCTAGTCATTATAGCTGCTGGC AGTATAACTGGCCAGCCTTTAATACATTGCTGCTTAGAGTCAAAGCATGTACTTAGAGTT GGTATGATTTATCTTTTTGGTCTTCTATAGCCTCCTTCCCCATCCCCATCAGTCTTAATC AGTCTTGTTACGTTATGACT-AATCTTTGGGGATTGTGCAGAATGTTATTTTAGATAAGC AAAA-CGAGCAAAAT-GGGGAGTT-A-CTT-A-TATTT-CTTT-AAA--GC #G023uabh-(426) GTAACGT-ATGA-TCAATCTTTGGGGATTGTGCAGAATGT-ATTTTAGATAAGCAAAAAC GAGCAAAATAGGGGAGTTTAACTTTAATATTTTCTTTTAAAAAGCATTTCATGTTATAAG ATCAATTCTGAGTGGTAGAAATGCTTTGACATTTTATTTCCATTTTCTACTTTTAGTTTT TTTCCTATTTGTTTAAGATCGTAGAGGATTATTAAGCTGAACTCCTCAACTGATAAAAAG CATGACATCTTAAACATAAGCAAAGCATATTTTTAGGTTAATTTTCACATAGAAAACAGT TTATTTTATGTGAAATTCTATGTAGATATACTATTTTTTTGGTATTTATT #G006uaah-(496) GGGGAGTTTAACTTTAATATTTTCTTTTAAAAAGCATTTCATGTTATAAGATCAATTCTG AGTGGTAGAAATGCTTTGACATTTTATTTCCATTTTCTACTTTTAGTTTTTTTCCTATTT GTTTAAGATCTTAGAGGATTATTAAGCTGAACTCCTCAACTGATAAAAAGCATGACATCT TAAACATAAGCAAAGCATATNNT-AGGTTAATTTTCACATAGAAAACAGTTTATTTTATG T Slight modifications by S. Smith on Mon Feb 17 10:18:34 EST 1992. These changes allow for command line arguements for several of the hard coded parameters, as well as a slight modification to the output routine to support GDE format. Changes are commented as: Mod by S.S. */ #include int OVERLEN; /* Minimum length of any overlap */ float PERCENT; /* Minimum identity percentage of any overlap */ #define CUTOFF 50 /* cutoff score for overlap or containment */ #define DELTA 9.0 /* Jump increment in check for overlap */ #define MATCH 2 /* score of a match */ #define MISMAT -6 /* score of a mismatch */ #define LTMISM -3 /* light score of a mismatch */ #define OPEN 0 /* gap open penalty */ #define EXTEND 4 /* gap extension penalty */ #define LTEXTEN 2 /* light gap extension penalty */ #define POS5 30 /* Sequencing errors often occur before base POS5 */ #define POS3 475 /* Sequencing errors often occur after base POS3 */ #define LINELEN 60 /* length of one printed line */ #define NAMELEN 20 /* length of printed fragment name */ #define TUPLELEN 4 /* Maximum length of words for lookup table */ #define SEQLEN 2000 /* initial size of an array for an output fragment */ static int over_len; static float per_cent; typedef struct OVERLAP /* of 5' and 3' segments */ { int number; /* index of 3' segment */ int host; /* index of 5' segment */ int ind; /* used in reassembly */ int stari; /* start position of 5' suffix */ int endi; /* end position of 5' suffix */ int starj; /* start position of 3' prefix */ int endj; /* end position of 3' prefix */ short orienti; /* orientation of 5' segment: 0= rev. */ short orientj; /* orientation of 3' segment: 0= rev. */ int score; /* score of overlap alignment */ int length; /* length of alignment */ int match; /* number of matches in alignment */ short kind; /* 0 = containment; 1 = overlap */ int *script; /* script for constructing alignment */ struct OVERLAP *next; } over, *overptr; struct SEG { char *name; /* name string */ int len; /* length of segment name */ char *seq; /* segment sequence */ char *rev; /* reverse complement */ int length; /* length of sequence */ short kind; /* 0 = contain; 1 = overlap */ int *lookup; /* lookup table */ int *pos; /* location list */ overptr list; /* list of overlapping edges */ } *segment; /* array of segment records */ int seg_num; /* The number of segments */ overptr *edge; /* set of overlapping edges */ int edge_num; /* The number of overlaps */ struct CONS /* 1 = itself; 0 = reverse complement */ { short isfive[2]; /* is 5' end free? */ short isthree[2]; /* is 3' end free? */ short orient[2]; /* orientation of 3' segment */ int group; /* contig serial number */ int next[2]; /* pointer to 3' adjacent segment */ int other; /* the other end of the contig */ int child; /* for the containment tree */ int brother; int father; overptr node[2]; /* pointers to overlapping edges */ } *contigs; /* list of contigs */ struct TTREE /* multiple alignment tree */ { short head; /* head = 1 means the head of a contig */ short orient; /* orientation */ int begin; /* start position of previous segment */ int *script; /* alignment script */ int size; /* length of script */ int next; /* list of overlap segments */ int child; /* list of child segments */ int brother; /* list of sibling segments */ } *mtree; int vert[128]; /* converted digits for 'A','C','G','T' */ int vertc[128]; /* for reverse complement */ int tuple; /* tuple = TUPLELEN - 1 */ int base[TUPLELEN]; /* locations of a lookup table */ int power[TUPLELEN]; /* powers of 4 */ typedef struct OUT { char *line; /* one print line */ char *a; /* pointer to slot in line */ char c; /* current char */ char *seq; /* pointer to sequence */ int length; /* length of segment */ int id; /* index of segment */ int *s; /* pointer to script vector */ int size; /* size of script vector */ int op; /* current operation */ char name[NAMELEN+2];/* name of segment */ short done; /* indicates if segment is done */ int loc; /* position of next segment symbol */ char kind; /* type of next symbol of segment */ char up; /* type of upper symbol of operation */ char dw; /* type of lower symbol of operation */ int offset; /* relative to consensus sequence */ int linesize; /* size of array line */ struct OUT *child; /* pointer to child subtree */ struct OUT *brother; /* pointer to brother node */ struct OUT *link; /* for operation linked list */ struct OUT *father; /* pointer to father node */ } row, *rowptr; /* node for segment */ rowptr *work; /* a set of working segments */ rowptr head, tail; /* first and last nodes of op list */ struct VX { int id; /* Segment index */ short kind; /* overlap or containment */ overptr list; /* list of overlapping edges */ } *piece; /* array of segment records */ char *allconsen, *allconpt; /* Storing consensus sequences */ main(argc, argv) int argc; char *argv[]; { int M; /* Sequence length */ int V[128][128], Q,R; /* Weights */ int V1[128][128], R1; /* Light weights */ int total; /* Total of segment lengths */ int number; /* The number of segments */ char *sequence; /* Storing all segments */ char *reverse; /* Storing all reverse segments */ int symbol, prev; /* The next character */ FILE *Ap, *ckopen(); /* For the sequence file */ char *my_calloc(int); /* space-allocating function */ register int i, j, k; /* index variables */ /* Mod by S.S. */ int jj; short heading; /* 1: heading; 0: sequence */ /* * Mod by S.S. * if ( argc != 2 ) fatalf("The proper form of command is: \n%s file_of_fragments", argv[0]); */ if ( argc != 4 ) fatalf("usage: %s file_of_fragments MIN_OVERLAP PERCENT_MATCH", argv[0]); sscanf(argv[2],"%d",&OVERLEN); sscanf(argv[3],"%d",&jj); PERCENT = (float)jj/100.0; if(PERCENT < 0.25) PERCENT = 0.25; if(PERCENT > 1.0) PERCENT = 1.0; if(OVERLEN < 1) OVERLEN = 1; if(OVERLEN > 100) OVERLEN = 100; /* determine number of segments and total lengths */ j = 0; Ap = ckopen(argv[1], "r"); prev = '\n'; for (total = 3, number = 0; ( symbol = getc(Ap)) != EOF ; total++ ) { if ( symbol == '>' && prev == '\n' ) number++; prev = symbol; } (void) fclose(Ap); total += number * 20; /* allocate space for segments */ sequence = ( char * ) my_calloc( total * sizeof(char)); reverse = ( char * ) my_calloc( total * sizeof(char)); allconpt = allconsen = ( char * ) my_calloc( total * sizeof(char)); segment = ( struct SEG * ) my_calloc( number * sizeof(struct SEG)); /* read the segments into sequence */ M = 0; Ap = ckopen(argv[1], "r"); number = -1; heading = 0; prev = '\n'; for ( i = 0, k = total ; ( symbol = getc(Ap)) != EOF ; ) { if ( symbol != '\n' ) { sequence[++i] = symbol; switch ( symbol ) { case 'A' : reverse[--k] = 'T'; break; case 'a' : reverse[--k] = 't'; break; case 'T' : reverse[--k] = 'A'; break; case 't' : reverse[--k] = 'a'; break; case 'C' : reverse[--k] = 'G'; break; case 'c' : reverse[--k] = 'g'; break; case 'G' : reverse[--k] = 'C'; break; case 'g' : reverse[--k] = 'c'; break; default : reverse[--k] = symbol; break; } } if ( symbol == '>' && prev == '\n' ) { heading = 1; if ( number >= 0 ) { segment[number].length = i - j - 1; segment[number].rev = &(reverse[k]); if ( i - j - 1 > M ) M = i - j -1; } number++; j = i; segment[number].name = &(sequence[i]); segment[number].kind = 1; segment[number].list = 0; } if ( heading && symbol == '\n' ) { heading = 0; segment[number].len = i - j; segment[number].seq = &(sequence[i]); j = i; } prev = symbol; } segment[number].length = i - j; reverse[--k] = '>'; segment[number].rev = &(reverse[k]); if ( i - j > M ) M = i - j; seg_num = ++number; (void) fclose(Ap); Q = OPEN; R = EXTEND; R1 = LTEXTEN; /* set match and mismatch weights */ for ( i = 0; i < 128 ; i++ ) for ( j = 0; j < 128 ; j++ ) if ((i|32) == (j|32) ) V[i][j] = V1[i][j] = MATCH; else { V[i][j] = MISMAT; V1[i][j] = LTMISM; } for ( i = 0; i < 128 ; i++ ) V['N'][i] = V[i]['N'] = MISMAT + 1; V1['N']['N'] = MISMAT + 1; over_len = OVERLEN; per_cent = PERCENT; edge_num = 0; INIT(M); MAKE(); PAIR(V,V1,Q,R,R1); ASSEM(); REPAIR(); FORM_TREE(); /* GRAPH(); */ SHOW(); } static int (*v)[128]; /* substitution scores */ static int q, r; /* gap penalties */ static int qr; /* qr = q + r */ static int (*v1)[128]; /* light substitution scores */ static int r1; /* light extension penalty */ static int qr1; /* qr1 = q + r1 */ static int SCORE; static int STARI; static int STARJ; static int ENDI; static int ENDJ; static int *CC, *DD; /* saving matrix scores */ static int *RR, *SS; /* saving start-points */ static int *S; /* saving operations for diff */ /* The following definitions are for function diff() */ int diff(); static int zero = 0; /* int type zero */ #define gap(k) ((k) <= 0 ? 0 : q+r*(k)) /* k-symbol indel score */ static int *sapp; /* Current script append ptr */ static int last; /* Last script op appended */ static int no_mat; /* number of matches */ static int no_mis; /* number of mismatches */ static int al_len; /* length of alignment */ /* Append "Delete k" op */ #define DEL(k) \ { al_len += k; \ if (last < 0) \ last = sapp[-1] -= (k); \ else \ last = *sapp++ = -(k); \ } /* Append "Insert k" op */ #define INS(k) \ { al_len += k; \ if (last < 0) \ { sapp[-1] = (k); *sapp++ = last; } \ else \ last = *sapp++ = (k); \ } /* Append "Replace" op */ #define REP \ { last = *sapp++ = 0; \ al_len += 1; \ } INIT(M) int M; { register int j; /* row and column indices */ char *my_calloc(); /* space-allocating function */ /* allocate space for all vectors */ j = (M + 1) * sizeof(int ); CC = ( int * ) my_calloc(j); DD = ( int * ) my_calloc(j); RR = ( int * ) my_calloc(j); SS = ( int * ) my_calloc(j); S = ( int * ) my_calloc(2 * j); } /* Make a lookup table for words of lengths up to TUPLELEN in each sequence. The value of a word is used as an index to the table. */ MAKE() { int hash[TUPLELEN]; /* values of words of lengths up to TUPLELEN */ int *table; /* pointer to a lookup table */ int *loc; /* pointer to a table of sequence locations */ int size; /* size of a lookup table */ int limit, digit, step; /* temporary variables */ register int i, j, k, p, q; /* index varibles */ char *my_calloc(); /* space-allocating function */ char *A; /* pointer to a sequence */ int M; /* length of a sequence */ tuple = TUPLELEN - 1; for ( i = 0; i < 128; i++ ) vert[i] = 4; vert['A'] = vert['a'] = 0; vert['C'] = vert['c'] = 1; vert['G'] = vert['g'] = 2; vert['T'] = vert['t'] = 3; vertc['A'] = vertc['a'] = 3; vertc['C'] = vertc['c'] = 2; vertc['G'] = vertc['g'] = 1; vertc['T'] = vertc['t'] = 0; for ( i = 0, j = 1, size = 0; i <= tuple ; i++, j *= 4 ) { base[i] = size; power[i] = j; size = ( size + 1 ) * 4; } for ( j = 0; j <= tuple; j++ ) hash[j] = 0; /* make a lookup table for each sequence */ for ( i = 0; i < seg_num ; i++ ) { A = segment[i].seq; M = segment[i].length; table = segment[i].lookup = (int * ) my_calloc(size * sizeof(int )); loc = segment[i].pos = (int * ) my_calloc((M + 1) * sizeof(int )); for ( j = 0; j < size; j++ ) table[j] = 0; for ( k = 0, j = 1; j <= M; j++ ) if ( ( digit = vert[A[j]] ) != 4 ) { for ( p = tuple; p > 0; p-- ) hash[p] = 4 * (hash[p-1] + 1) + digit; hash[0] = digit; step = j - k; limit = tuple <= step ? tuple : step; for ( p = 0; p < limit; p++ ) if ( ! table[(q = hash[p])] ) table[q] = 1; if ( step > tuple ) { loc[(p = j - tuple)] = table[(q = hash[tuple])]; table[q] = p; } } else k = j; } } /* Perform pair-wise comparisons of sequences. The sequences not satisfying the necessary condition for overlap are rejected quickly. Those that do satisfy the condition are verified with a dynamic programming algorithm to see if overlaps exist. */ PAIR(V,V1,Q,R,R1) int V[][128],V1[][128],Q,R,R1; { int endi, endj, stari, starj; /* endpoint and startpoint */ short orienti, orientj; /* orientation of segments */ short iscon; /* containment condition */ int score; /* the max score */ int count, limit; /* temporary variables */ register int i, j, d; /* row and column indices */ char *my_calloc(); /* space-allocating function */ int rl, cl; char *A, *B; int M, N; overptr node1; int total; /* total number of pairs */ int hit; /* number of pairs satisfying cond. */ int CHECK(); v = V; q = Q; r = R; qr = q + r; v1 = V1; r1 = R1; qr1 = q + r1; total = hit = 0; limit = 2 * ( seg_num - 1 ); for ( orienti = 0, d = 0; d < limit ; d++ ) { i = d / 2; orienti = 1 - orienti; A = orienti ? segment[i].seq : segment[i].rev; M = segment[i].length; for ( j = i+1; j < seg_num ; j++ ) { B = segment[j].seq; orientj = 1; N = segment[j].length; total += 1; if ( CHECK(orienti, i, j) ) { hit += 1; SCORE = 0; big_pass(A,B,M,N,orienti,orientj); if ( SCORE ) { score = SCORE; stari = ++STARI; starj = ++STARJ; endi = ENDI; endj = ENDJ; rl = endi - stari + 1; cl = endj - starj + 1; sapp = S; last = 0; al_len = no_mat = no_mis = 0; (void) diff(&A[stari]-1, &B[starj]-1,rl,cl,q,q); iscon = stari == 1 && endi == M || starj == 1 && endj == N; if ( no_mat >= al_len * per_cent && ( al_len >= over_len || iscon ) ) { node1 = ( overptr ) my_calloc( (int ) sizeof(over)); if ( iscon ) node1->kind = 0; /* containment */ else { node1->kind = 1; edge_num++; } /* overlap */ if ( endi == M && ( endj != N || starj != 1 ) ) /*i is 5'*/ { node1->number = j; node1->host = i; node1->stari = stari; node1->endi = endi; node1->orienti = orienti; node1->starj = starj; node1->endj = endj; node1->orientj = orientj; } else /* j is 5' */ { node1->number = i; node1->host = j; node1->stari = starj; node1->endi = endj; node1->orienti = orientj; node1->starj = stari; node1->endj = endi; node1->orientj = orienti; } node1->score = score; node1->length = al_len; node1->match = no_mat; count = node1->number == i ? j : i; node1->next = segment[count].list; segment[count].list = node1; if ( ! node1->kind ) segment[count].kind = 0; } } } } } } /* Return 1 if two sequences satisfy the necessary condition for overlap, and 0 otherwise. Parameters first and second are the indices of segments, and parameter orient indicates the orientation of segment first. */ int CHECK(orient,first,second) short orient; int first, second; { int limit, bound; /* maximum number of jumps */ int small; /* smaller of limit and bound */ float delta; /* cutoff factor */ float cut; /* cutoff score */ register int i; /* index variable */ int t, q; /* temporary variables */ int JUMP(); int RJUMP(); int JUMPC(); int RJUMPC(); delta = DELTA; if ( orient ) limit = JUMP(CC, first, second, 1); else limit = JUMPC(CC, first, second); bound = RJUMP(DD, second, first, orient); small = limit <= bound ? limit : bound; cut = 0; for ( i = 1; i <= small; i++ ) { if ( (t = DD[i] - 1) >= over_len && t >= cut && (q = CC[i] - 1) >= over_len && q >= cut ) return (1); cut += delta; } if (DD[bound] >= delta*(bound-1) || CC[limit] >= delta*(limit-1)) return (1); limit = JUMP(CC, second, first, orient); if ( orient ) bound = RJUMP(DD, first, second, 1); else bound = RJUMPC(DD, first, second); small = limit <= bound ? limit : bound; cut = 0; for ( i = 1; i <= small; i++ ) { if ( (t = DD[i] - 1) >= over_len && t >= cut && (q = CC[i] - 1) >= over_len && q >= cut ) return (1); cut += delta; } return (0); } /* Compute a vector of lengths of jumps */ int JUMP(H,one,two,orient) int H[], one, two; short orient; { char *A, *B; /* pointers to two sequences */ int M, N; /* lengths of two sequences */ int *table; /* pointer to a lookup table */ int *loc; /* pointer to a location table */ int value; /* value of a word */ int maxd; /* maximum length of an identical diagonal */ int d; /* length of current identical diagonal */ int s; /* length of jumps */ int k; /* number of jumps */ register int i, j, p; /* index variables */ A = segment[one].seq; M = segment[one].length; table = segment[one].lookup; loc = segment[one].pos; B = orient ? segment[two].seq : segment[two].rev; N = segment[two].length; for ( s = 1, k = 1; s <= N ; k++ ) { maxd = 0; for ( value = -1, d = 0, j = s; d <= tuple && j <= N; j++, d++) { if ( vert[B[j]] == 4 ) break; value = 4 * (value + 1) + vert[B[j]]; if ( ! table[value] ) break; } if ( d > tuple ) { for ( p = table[value]; p ; p = loc[p] ) { d = tuple + 1; for ( i = p+d, j = s+d; i <= M && j <= N; i++, j++, d++ ) if ( A[i] != B[j] && vert[A[i]] != 4 && vert[B[j]] != 4 ) break; if ( maxd < d ) maxd = d; if ( j > N ) break; } } else maxd = d; s += maxd + 1; H[k] = s; } return (k - 1); } /* Compute a vector of lengths of jumps for reverse complement of one */ int JUMPC(H,one,two) int H[], one, two; { char *A, *B; /* pointers to two sequences */ int M, N; /* lengths of two sequences */ int *table; /* pointer to a lookup table */ int *loc; /* pointer to a location table */ int value; /* value of a word */ int maxd; /* maximum length of an identical diagonal */ int d; /* length of current identical diagonal */ int s; /* length of jumps */ int k; /* number of jumps */ register int i, j, p; /* index variables */ A = segment[one].rev; M = segment[one].length; table = segment[one].lookup; loc = segment[one].pos; B = segment[two].seq; N = segment[two].length; for ( s = 1, k = 1; s <= N ; k++ ) { maxd = 0; for ( value = 0, d = 0, j = s; d <= tuple && j <= N; j++, d++) { if ( vert[B[j]] == 4 ) break; value += vertc[B[j]] * power[d]; if ( ! table[value+base[d]] ) break; } if ( d > tuple ) { for ( p = table[value+base[tuple]]; p ; p = loc[p] ) { d = tuple + 1; for ( i = M+2-p, j = s+d; i <= M && j <= N; i++, j++, d++ ) if ( A[i] != B[j] && vert[A[i]] != 4 && vert[B[j]] != 4 ) break; if ( maxd < d ) maxd = d; if ( j > N ) break; } } else maxd = d; s += maxd + 1; H[k] = s; } return (k - 1); } /* Compute a vector of lengths of reverse jumps */ int RJUMP(H,one,two,orient) int H[], one, two; short orient; { char *A, *B; /* pointers to two sequences */ int N; /* length of a sequence */ int *table; /* pointer to a lookup table */ int *loc; /* pointer to a location table */ int value; /* value of a word */ int maxd; /* maximum length of an identical diagonal */ int d; /* length of current identical diagonal */ int s; /* length of jumps */ int k; /* number of jumps */ register int i, j, p; /* index variables */ A = segment[one].seq; table = segment[one].lookup; loc = segment[one].pos; B = orient ? segment[two].seq : segment[two].rev; N = segment[two].length; for ( s = 1, k = 1; s <= N ; k++ ) { maxd = 0; for (value = 0, d = 0, j = N+1-s; d <= tuple && j >= 1; j--, d++) { if ( vert[B[j]] == 4 ) break; value += vert[B[j]] * power[d]; if ( ! table[value+base[d]] ) break; } if ( d > tuple ) { for ( p = table[value+base[tuple]]; p ; p = loc[p] ) { d = tuple + 1; for ( i = p-1, j = N+1-s-d; i >= 1 && j >= 1; i--, j--, d++ ) if ( A[i] != B[j] && vert[A[i]] != 4 && vert[B[j]] != 4 ) break; if ( maxd < d ) maxd = d; if ( j < 1 ) break; } } else maxd = d; s += maxd + 1; H[k] = s; } return (k - 1); } /* Compute a vector of lengths of reverse jumps for reverse complement */ int RJUMPC(H,one,two) int H[], one, two; { char *A, *B; /* pointers to two sequences */ int M, N; /* lengths of two sequences */ int *table; /* pointer to a lookup table */ int *loc; /* pointer to a location table */ int value; /* value of a word */ int maxd; /* maximum length of an identical diagonal */ int d; /* length of current identical diagonal */ int s; /* length of jumps */ int k; /* number of jumps */ register int i, j, p; /* index variables */ A = segment[one].rev; M = segment[one].length; table = segment[one].lookup; loc = segment[one].pos; B = segment[two].seq; N = segment[two].length; for ( s = 1, k = 1; s <= N ; k++ ) { maxd = 0; for (value = -1, d = 0, j = N+1-s; d <= tuple && j >= 1; j--, d++) { if ( vert[B[j]] == 4 ) break; value = 4 * (value + 1) + vertc[B[j]]; if ( ! table[value] ) break; } if ( d > tuple ) { for ( p = table[value]; p ; p = loc[p] ) { d = tuple + 1; i = M - p - tuple; for ( j = N-s-tuple; i >= 1 && j >= 1; i--, j--, d++ ) if ( A[i] != B[j] && vert[A[i]] != 4 && vert[B[j]] != 4 ) break; if ( maxd < d ) maxd = d; if ( j < 1 ) break; } } else maxd = d; s += maxd + 1; H[k] = s; } return (k - 1); } /* Construct contigs */ ASSEM() { char *my_calloc(); /* space-allocating function */ register int i, j, k; /* index variables */ overptr node1, x, y; /* temporary pointer */ int five, three; /* indices of 5' and 3' segments */ short orienti; /* orientation of 5' segment */ short orientj; /* orientation of 3' segment */ short sorted; /* boolean variable */ contigs = ( struct CONS * ) my_calloc( seg_num * sizeof(struct CONS)); for ( i = 0; i < seg_num; i++ ) { contigs[i].isfive[0] = contigs[i].isthree[0] = 1; contigs[i].isfive[1] = contigs[i].isthree[1] = 1; contigs[i].other = i; contigs[i].group = contigs[i].child = -1; contigs[i].brother = contigs[i].father = -1; } for ( i = 0; i < seg_num; i++ ) if ( ! segment[i].kind ) for ( ; ; ) { for ( y = segment[i].list; y->kind; y = y->next ) ; for ( x = y->next; x != 0; x = x->next ) if ( ! x->kind && x->score > y->score ) y = x; for ( j = y->number; (k = contigs[j].father) != -1; j = k ) ; if ( j != i ) { contigs[i].father = j = y->number; contigs[i].brother = contigs[j].child; contigs[j].child = i; contigs[i].node[1] = y; break; } else { if ( segment[i].list->number == y->number ) segment[i].list = y->next; else { for ( x = segment[i].list; x->next->number != y->number ; ) x = x->next; x->next = y->next; } for ( x = segment[i].list; x != 0 && x->kind; x = x->next ) ; if ( x == 0 ) { segment[i].kind = 1; break; } } } edge = ( overptr * ) my_calloc( edge_num * sizeof(overptr) ); for ( j = 0, i = 0; i < seg_num; i++ ) if ( segment[i].kind ) for ( node1 = segment[i].list; node1 != 0; node1 = node1->next ) if ( segment[node1->number].kind ) edge[j++] = node1; edge_num = j; for ( i = edge_num - 1; i > 0; i-- ) { sorted = 1; for ( j = 0; j < i; j++ ) if ( edge[j]->score < edge[j+1]->score ) { node1 = edge[j]; edge[j] = edge[j+1]; edge[j+1] = node1; sorted = 0; } if ( sorted ) break; } for ( k = 0; k < edge_num; k++ ) { five = edge[k]->host; three = edge[k]->number; orienti = edge[k]->orienti; orientj = edge[k]->orientj; if ( contigs[five].isthree[orienti] && contigs[three].isfive[orientj] && contigs[five].other != three ) { contigs[five].isthree[orienti] = 0; contigs[three].isfive[orientj] = 0; contigs[five].next[orienti] = three; contigs[five].orient[orienti] = orientj; contigs[five].node[orienti] = edge[k]; contigs[three].isthree[(j = 1 - orientj)] = 0; contigs[five].isfive[(i = 1 - orienti)] = 0; contigs[three].next[j] = five; contigs[three].orient[j] = i; contigs[three].node[j] = edge[k]; i = contigs[three].other; j = contigs[five].other; contigs[i].other = j; contigs[j].other = i; } } } REPAIR() { int endi, endj, stari, starj; /* endpoint and startpoint */ short orienti, orientj; /* orientation of segments */ short isconi, isconj; /* containment condition */ int score; /* the max score */ int i, j, f, d, e; /* row and column indices */ char *my_calloc(); /* space-allocating function */ char *A, *B; int M, N; overptr node1; int piece_num; /* The number of pieces */ int count, limit; int number; int hit; piece = ( struct VX * ) my_calloc( seg_num * sizeof(struct VX)); for ( j = 0, i = 0; i < seg_num; i++ ) if (segment[i].kind && (contigs[i].isfive[1] || contigs[i].isfive[0])) piece[j++].id = i; piece_num = j; for ( i = 0; i < piece_num; i++ ) { piece[i].kind = 1; piece[i].list = 0; } limit = 2 * ( piece_num - 1 ); hit = number = 0; for ( orienti = 0, d = 0; d < limit ; d++ ) { i = piece[(e = d / 2)].id; orienti = 1 - orienti; A = orienti ? segment[i].seq : segment[i].rev; M = segment[i].length; for ( f = e+1; f < piece_num ; f++ ) { j = piece[f].id; B = segment[j].seq; orientj = 1; N = segment[j].length; SCORE = 0; hit++; big_pass(A,B,M,N,orienti,orientj); if ( SCORE > CUTOFF ) { score = SCORE; stari = ++STARI; starj = ++STARJ; endi = ENDI; endj = ENDJ; isconi = stari == 1 && endi == M; isconj = starj == 1 && endj == N; node1 = ( overptr ) my_calloc( (int ) sizeof(over)); if ( isconi || isconj ) node1->kind = 0; /* containment */ else { node1->kind = 1; number++; } /* overlap */ if ( endi == M && ! isconj ) /*i is 5'*/ { node1->number = j; node1->host = i; node1->ind = f; node1->stari = stari; node1->endi = endi; node1->orienti = orienti; node1->starj = starj; node1->endj = endj; node1->orientj = orientj; } else /* j is 5' */ { node1->number = i; node1->host = j; node1->ind = e; node1->stari = starj; node1->endi = endj; node1->orienti = orientj; node1->starj = stari; node1->endj = endi; node1->orientj = orienti; } node1->score = score; count = node1->number == i ? f : e; node1->next = piece[count].list; piece[count].list = node1; if ( ! node1->kind ) piece[count].kind = 0; } } } REASSEM(piece_num, number); } /* Construct contigs */ REASSEM(piece_num, number) int piece_num, number; { char *my_calloc(); /* space-allocating function */ int i, j, k, d; /* index variables */ overptr node1, x, y; /* temporary pointer */ int five, three; /* indices of 5' and 3' segments */ short orienti; /* orientation of 5' segment */ short orientj; /* orientation of 3' segment */ short sorted; /* boolean variable */ for ( d = 0; d < piece_num; d++ ) if ( ! piece[d].kind ) for ( i = piece[d].id ; ; ) { for ( y = piece[d].list; y->kind; y = y->next ) ; for ( x = y->next; x != 0; x = x->next ) if ( ! x->kind && x->score > y->score ) y = x; for ( j = y->number; (k = contigs[j].father) != -1; j = k ) ; if ( j != i && RECONCILE(y,&piece_num,&number) ) { contigs[i].father = j = y->number; contigs[i].brother = contigs[j].child; contigs[j].child = i; contigs[i].node[1] = y; segment[i].kind = 0; break; } else { if ( piece[d].list->number == y->number ) piece[d].list = y->next; else { for ( x = piece[d].list; x->next->number != y->number ; ) x = x->next; x->next = y->next; } for ( x = piece[d].list; x != 0 && x->kind; x = x->next ) ; if ( x == 0 ) { piece[d].kind = 1; break; } } } if ( number > edge_num ) edge = ( overptr * ) my_calloc( number * sizeof(overptr) ); for ( j = 0, d = 0; d < piece_num; d++ ) if ( piece[d].kind ) for ( node1 = piece[d].list; node1 != 0; node1 = node1->next ) if ( piece[node1->ind].kind ) edge[j++] = node1; edge_num = j; for ( i = edge_num - 1; i > 0; i-- ) { sorted = 1; for ( j = 0; j < i; j++ ) if ( edge[j]->score < edge[j+1]->score ) { node1 = edge[j]; edge[j] = edge[j+1]; edge[j+1] = node1; sorted = 0; } if ( sorted ) break; } for ( k = 0; k < edge_num; k++ ) { five = edge[k]->host; three = edge[k]->number; orienti = edge[k]->orienti; orientj = edge[k]->orientj; if ( contigs[five].isthree[orienti] && contigs[three].isfive[orientj] && contigs[five].other != three ) { contigs[five].isthree[orienti] = 0; contigs[three].isfive[orientj] = 0; contigs[five].next[orienti] = three; contigs[five].orient[orienti] = orientj; contigs[five].node[orienti] = edge[k]; contigs[three].isthree[(j = 1 - orientj)] = 0; contigs[five].isfive[(i = 1 - orienti)] = 0; contigs[three].next[j] = five; contigs[three].orient[j] = i; contigs[three].node[j] = edge[k]; i = contigs[three].other; j = contigs[five].other; contigs[i].other = j; contigs[j].other = i; } } } RECONCILE(y, pp,nn) overptr y; int *pp,*nn; { short orienti, orientj; /* orientation of segments */ short orientk, orientd; /* orientation of segments */ int i, j, k, d, f; /* row and column indices */ char *my_calloc(); /* space-allocating function */ char *A, *B; int M, N; overptr node1; k = y->host; d = y->number; orientk = y->orienti; orientd = y->orientj; if ( ! contigs[k].isthree[orientk] ) { if ( ! piece[y->ind].kind ) return (0); if ( contigs[d].isthree[orientd] ) { orienti = orientd; i = d; orientj = contigs[k].orient[orientk]; j = contigs[k].next[orientk]; } else return (0); } else if ( ! contigs[k].isfive[orientk] ) { if ( ! piece[y->ind].kind ) return (0); if ( contigs[d].isfive[orientd] ) { orienti = contigs[k].orient[1-orientk]; orienti = 1 - orienti; i = contigs[k].next[1-orientk]; orientj = orientd; j = d; } else return (0); } else return (0); A = orienti ? segment[i].seq : segment[i].rev; M = segment[i].length; B = orientj ? segment[j].seq : segment[j].rev; N = segment[j].length; SCORE = 0; big_pass(A,B,M,N,orienti,orientj); if ( SCORE > CUTOFF && ENDI - STARI > over_len && ENDI == M && STARJ == 0 ) { node1 = ( overptr ) my_calloc( (int ) sizeof(over)); node1->kind = 1; node1->host = i; node1->number = j; node1->stari = ++STARI; node1->endi = ENDI; node1->orienti = orienti; node1->starj = ++STARJ; node1->endj = ENDJ; node1->orientj = orientj; node1->score = SCORE; piece[*pp].kind = 1; if ( i == d ) { node1->ind = *pp; node1->next = piece[y->ind].list; piece[y->ind].list = node1; piece[*pp].id = j; piece[*pp].list = 0; } else { node1->ind = y->ind; piece[*pp].list = node1; node1->next = 0; piece[*pp].id = i; } (*nn)++; (*pp)++; f = contigs[k].other; if ( ! contigs[k].isthree[orientk] ) { contigs[j].isfive[orientj] = 1; contigs[j].isthree[1 - orientj] = 1; contigs[k].isthree[orientk] = 1; contigs[k].isfive[1 - orientk] = 1; contigs[f].other = j; contigs[j].other = f; } else { contigs[i].isthree[orienti] = 1; contigs[i].isfive[1 - orienti] = 1; contigs[k].isfive[orientk] = 1; contigs[k].isthree[1 - orientk] = 1; contigs[f].other = i; contigs[i].other = f; } contigs[k].other = k; return (1); } return (0); } /* Construct a tree of overlapping-containment segments */ FORM_TREE() { register int i, j, k; /* index variables */ char *my_calloc(); /* space-allocating function */ overptr node1; /* temporary pointer */ short orient; /* orientation of segment */ int group; /* serial number of contigs */ char *A, *B; /* pointers to segment sequences */ int stari, endi, starj, endj;/* positions where alignment begins */ int M, N; /* lengths of segment sequences */ int count; /* temporary variables */ mtree = ( struct TTREE * ) my_calloc( seg_num * sizeof(struct TTREE)); for ( i = 0; i < seg_num; i++ ) { mtree[i].head = 0; mtree[i].next = mtree[i].child = mtree[i].brother = -1; } for ( group = 0, i = 0; i < seg_num; i++ ) if ( segment[i].kind && contigs[i].group < 0 && ( contigs[i].isfive[1] || contigs[i].isfive[0] ) ) { orient = contigs[i].isfive[1] ? 1 : 0; mtree[i].head = 1; for ( j = i; ; ) { contigs[j].group = group; mtree[j].orient = orient; SORT(j, orient); if ( contigs[j].isthree[orient] ) break; else { k = contigs[j].next[orient]; node1 = contigs[j].node[orient]; if ( j == node1->host ) { stari = node1->stari; endi = node1->endi; starj = node1->starj; endj = node1->endj; A = node1->orienti ? segment[j].seq : segment[j].rev; B = node1->orientj ? segment[k].seq : segment[k].rev; } else { M = segment[j].length; stari = M + 1 - node1->endj; endi = M + 1 - node1->starj; N = segment[k].length; starj = N + 1 - node1->endi; endj = N + 1 - node1->stari; A = node1->orientj ? segment[j].rev : segment[j].seq; B = node1->orienti ? segment[k].rev : segment[k].seq; } M = endi - stari + 1; N = endj - starj + 1; sapp = S; last = 0; al_len = no_mat = no_mis = 0; (void) diff(&A[stari]-1, &B[starj]-1,M,N,q,q); count = ( (N = sapp - S) + 1 ) * sizeof(int ); mtree[k].script = ( int * ) my_calloc( count ); for ( M = 0; M < N; M++) mtree[k].script[M] = S[M]; mtree[k].size = N; mtree[k].begin = stari; mtree[j].next = k; orient = contigs[j].orient[orient]; j = k; } } group++; } } /* Sort the children of each node by the `begin' field */ SORT(seg, ort) int seg; short ort; { register int i, j, k; /* index variables */ char *my_calloc(); /* space-allocating function */ overptr node1; /* temporary pointer */ short orient; /* orientation of segment */ char *A, *B; /* pointers to segment sequences */ int stari, endi, starj, endj;/* positions where alignment begins */ int M, N; /* lengths of segment sequences */ int count; /* temporary variables */ for ( j = contigs[seg].child; j != -1; j = contigs[j].brother ) { node1 = contigs[j].node[1]; if ( ort == node1->orientj ) { stari = node1->starj; endi = node1->endj; starj = node1->stari; endj = node1->endi; A = node1->orientj ? segment[seg].seq : segment[seg].rev; B = node1->orienti ? segment[j].seq : segment[j].rev; orient = node1->orienti; } else { M = segment[seg].length; stari = M + 1 - node1->endj; endi = M + 1 - node1->starj; N = segment[j].length; starj = N + 1 - node1->endi; endj = N + 1 - node1->stari; A = node1->orientj ? segment[seg].rev : segment[seg].seq; B = node1->orienti ? segment[j].rev : segment[j].seq; orient = 1 - node1->orienti; } M = endi - stari + 1; N = endj - starj + 1; sapp = S; last = 0; al_len = no_mat = no_mis = 0; (void) diff(&A[stari]-1, &B[starj]-1,M,N,q,q); count = ( (M = sapp - S ) + 1 ) * sizeof(int ); mtree[j].script = ( int * ) my_calloc( count ); for ( k = 0; k < M; k++) mtree[j].script[k] = S[k]; mtree[j].size = M; mtree[j].begin = stari; mtree[j].orient = orient; if ( mtree[seg].child == -1 ) mtree[seg].child = j; else { i = mtree[seg].child; if ( mtree[i].begin >= stari ) { mtree[j].brother = i; mtree[seg].child = j; } else { M = mtree[i].brother; for ( ; M != -1; i = M, M = mtree[M].brother ) if ( mtree[M].begin >= stari ) break; mtree[j].brother = M; mtree[i].brother = j; } } SORT(j, orient); } } /* Display the alignments of segments */ SHOW() { register int i, j, k; /* index variables */ char *my_calloc(); /* space-allocating function */ int n; /* number of working segments */ int limit; /* number of slots in work */ int col; /* number of output columns prepared */ short done; /* tells if current group is done */ rowptr root; /* pointer to root of op tree */ int sym[6]; /* occurrence counts for six chars */ char c; /* temp variable */ rowptr t, w, yy; /* temp pointer */ int x; /* temp variables */ int group; /* Contigs number */ char conlit[20], *a; /* String form of contig number */ char *spt; /* pointer to the start of consensus */ work = ( rowptr * ) my_calloc( seg_num * sizeof(rowptr)); group = 0; yy = 0; for ( j = 0; j < 6; j++ ) sym[j] = 0; n = limit = col = 0; for ( i = 0; i < seg_num; i++ ) if ( mtree[i].head ) { (void) sprintf(conlit, ">Contig %d\n", group); for ( a = conlit; *a; ) *allconpt++ = *a++; /* Mod by S.S. (void) printf("\n#Contig %d\n\n", group++); */ group++; done = 0; ENTER(&limit, &n, i, col, yy); root = work[0]; spt = allconpt; while ( ! done ) { for ( j = 0; j < n; j++ ) /* get segments into work */ { t = work[j]; k = t->id; if ((x = mtree[k].next) != -1 && mtree[x].begin == t->loc) { ENTER(&limit, &n, x, col, t); mtree[k].next = -1; } for ( x = mtree[k].child; x != -1; x = mtree[x].brother ) if ( mtree[x].begin == t->loc ) { ENTER(&limit, &n, x, col, t); mtree[k].child = mtree[x].brother; } else break; } COLUMN(root); /* determine next column */ root->c = root->kind; for ( t = head; t != 0; t = t->link ) t->c = t->kind; for ( j = 0; j < n; j++ ) { t = work[j]; if ( t->done ) *t->a++ = ' '; else { if ( t->c == 'L' ) { if ( t->loc == 1 ) t->offset = allconpt - spt; c = *t->a++ = t->seq[t->loc++]; } else if ( t->loc > 1 ) c = *t->a++ = '-'; else c = *t->a++ = ' '; if ( c != ' ' ) if ( c == '-' ) sym[5] += 1; else sym[vert[c]] += 1; t->c = ' '; } } /* determine consensus char */ k = sym[0] + sym[1] + sym[2] + sym[3] + sym[4]; if ( k < sym[5] ) *allconpt++ = '-'; else if ( sym[0] == sym[1] && sym[1] == sym[2] && sym[2] == sym[3] ) *allconpt++ = 'N'; else { k = sym[0]; c = 'A'; if ( k < sym[1] ) { k = sym[1]; c = 'C'; } if ( k < sym[2] ) { k = sym[2]; c = 'G'; } if ( k < sym[3] ) c = 'T'; *allconpt++ = c; } for ( j = 0; j < 6; j++ ) sym[j] = 0; for ( t = head; t != 0; t = t->link ) { NEXTOP(t); if ( t->done ) /* delete it from op tree */ { w = t->father; if ( w->child->id == t->id ) w->child = t->brother; else { w = w->child; for ( ; w->brother->id != t->id; w = w->brother ) ; w->brother = t->brother; } } } if ( root->loc > root->length ) /* check root node */ { root->done = 1; if ( (w = root->child) != 0 ) { w->father = 0; root = w; } else done = 1; } col++; if ( col == LINELEN || done ) /* output */ { col = 0; for ( j = 0; j < n; j++ ) { t = work[j]; if ( t->done ) /* Mod by S.S. { (void) printf("#"); for ( a = t->name; *a; a++ ) (void) printf("%c", *a); */ { int jj; (void) printf("{\nname "); for(jj=0;jjname)-1;jj++) (void) printf("%c", t->name[jj]); printf("\nstrandedness %c\n", t->name[strlen(t->name)] == '+'? '1':'2'); printf("offset %d\ntype DNA\ngroup-ID %d\nsequence \"\n", t->offset,group); for ( k = 0, a = t->line ; a != t->a; a++ ) if ( *a != ' ' ) { k++; (void) printf("%c", *a); if ( k == LINELEN ) { (void) printf("\n"); k = 0; } } /* if ( k ) */ (void) printf("\"\n}\n"); } if ( t->linesize - (t->a - t->line) < LINELEN + 3 ) ALOC_SEQ(t); } if ( !done ) { for ( k = j = n - 1; j >= 0; j-- ) if ( work[j]->done ) { t = work[j]; for ( x = j; x < k; x++ ) work[x] = work[x+1]; work[k--] = t; } n = k + 1; } else n = 0; } } } } /* allocate more space for output fragment */ ALOC_SEQ(t) rowptr t; { char *my_calloc(); /* space-allocating function */ char *start, *end, *p; t->linesize *= 2; start = t->line; end = t->a; t->line = ( char * ) my_calloc( t->linesize * sizeof(char)); for ( t->a = t->line, p = start ; p != end; ) *t->a++ = *p++; free(start); return 0; } /* enter a segment into working set */ ENTER(b, d, id, pos, par) int *b, *d, id, pos; rowptr par; { int i; char *my_calloc(); /* space-allocating function */ rowptr t; if ( *b <= *d ) { work[*b] = ( rowptr ) my_calloc( (int ) sizeof(row)); work[*b]->line = ( char * ) my_calloc( SEQLEN * sizeof(char)); work[*b]->linesize = SEQLEN; *b += 1; } t = work[*d]; *d += 1; t->a = t->line; for ( i = 0; i < pos; i++ ) *t->a++ = ' '; t->c = ' '; t->seq = mtree[id].orient ? segment[id].seq : segment[id].rev; t->length = segment[id].length; t->id = id; if ( par != 0 ) { t->s = mtree[id].script; t->size = mtree[id].size; } t->op = 0; for ( i = 1; i <= segment[id].len && i <= NAMELEN; i++ ) t->name[i-1] = segment[id].name[i]; if ( mtree[id].orient ) t->name[i-1] = '+'; else t->name[i-1] = '-'; t->name[i] = '\0'; t->done = 0; t->loc = 1; t->child = 0; t->father = par; if ( par != 0 ) { t->brother = par->child; par->child = t; NEXTOP(t); } } /* get the next operation */ NEXTOP(t) rowptr t; { if ( t->size || t->op ) if ( t->op == 0 && *t->s == 0 ) { t->op = *t->s++; t->size--; t->up = 'L'; t->dw = 'L'; } else { if ( t->op == 0 ) { t->op = *t->s++; t->size--; } if ( t->op > 0 ) { t->up = '-'; t->dw = 'L'; t->op--; } else { t->up = 'L'; t->dw = '-'; t->op++; } } else if ( t->loc > t->length ) t->done = 1; } COLUMN(x) rowptr x; { rowptr y; rowptr start, end; /* first and last nodes for subtree */ if ( x->child == 0 ) { head = tail = 0; x->kind = 'L'; } else { start = end = 0; x->kind = 'L'; for ( y = x->child; y != 0; y = y->brother ) { COLUMN(y); if ( x->kind == y->up ) if ( y->kind == y->dw ) { if ( head == 0 ) { y->link = 0; head = tail = y; } else { y->link = head; head = y; } if ( end == 0 ) start = head; else end->link = head; end = tail; } else if ( y->kind == '-' ) { start = head; end = tail; x->kind = '-'; } else { y->link = 0; y->kind = '-'; if ( end == 0 ) start = end = y; else { end->link = y; end = y; } } else if ( y->kind == y->dw ) if ( x->kind == '-' ) ; else { if ( head == 0 ) { y->link = 0; head = tail = y; } else { y->link = head; head = y; } start = head; end = tail; x->kind = '-'; } else if ( x->kind == '-' ) if ( y->kind == '-' ) { if ( end == 0 ) { start = head; end = tail; } else if ( head == 0 ) /* code folded from here */ ; /* unfolding */ else { /* code folded from here */ end->link = head; end = tail; /* unfolding */ } } else ; else { start = head; end = tail; x->kind = '-'; } } head = start; tail = end; } } /* Display a summary of contigs */ GRAPH() { int i, j, k; /* index variables */ int group; /* serial number of contigs */ char name[NAMELEN+2]; /* name of segment */ char *t; /* temp var */ int length; /* length of name */ (void) printf("\nOVERLAPS CONTAINMENTS\n\n"); group = 1; for ( i = 0; i < seg_num; i++ ) if ( mtree[i].head ) { (void) printf("******************* Contig %d ********************\n", group++ ); for ( j = i; j != -1; j = mtree[j].next ) { length = segment[j].len; t = segment[j].name + 1; for ( k = 0; k < length && k < NAMELEN; k++ ) name[k] = *t++; if ( mtree[j].orient ) name[k] = '+'; else name[k] = '-'; name[k+1] = '\0'; (void) printf("%s\n", name); CONTAIN(mtree[j].child, name); } } } CONTAIN(id, f) int id; char *f; { int k; /* index variable */ char name[NAMELEN+2]; /* name of segment */ char *t; /* temp var */ int length; /* length of name */ if ( id != -1 ) { length = segment[id].len; t = segment[id].name + 1; for ( k = 0; k < length && k < NAMELEN; k++ ) name[k] = *t++; if ( mtree[id].orient ) name[k] = '+'; else name[k] = '-'; name[k+1] = '\0'; (void) printf(" %s is in %s\n", name,f); CONTAIN(mtree[id].child, name); CONTAIN(mtree[id].brother, f); } } big_pass(A,B,M,N,orienti,orientj) char A[],B[]; int M,N; short orienti, orientj; { register int i, j; /* row and column indices */ register int c; /* best score at current point */ register int f; /* best score ending with insertion */ register int d; /* best score ending with deletion */ register int p; /* best score at (i-1, j-1) */ register int ci; /* end-point associated with c */ register int di; /* end-point associated with d */ register int fi; /* end-point associated with f */ register int pi; /* end-point associated with p */ int *va; /* pointer to v(A[i], B[j]) */ int x1, x2; /* regions of A before x1 or after x2 are lightly penalized */ int y1, y2; /* regions of B before y1 or after y2 are lightly penalized */ short heavy; /* 1 = heavy penalty */ int ex, gx; /* current gap penalty scores */ /* determine x1, x2, y1, y2 */ if ( POS5 >= POS3 ) fatal("The value for POS5 must be less than the value for POS3"); if ( orienti ) { x1 = POS5 >= M ? 1 : POS5; x2 = POS3 >= M ? M : POS3; } else { x1 = POS3 >= M ? 1 : M - POS3 + 1; x2 = POS5 >= M ? M : M - POS5 + 1; } if ( orientj ) { y1 = POS5 >= N ? 1 : POS5; y2 = POS3 >= N ? N : POS3; } else { y1 = POS3 >= N ? 1 : N - POS3 + 1; y2 = POS5 >= N ? N : N - POS5 + 1; } if ( x1 + 1 <= x2 ) x1++; if ( y1 + 1 <= y2 ) y1++; heavy = 0; /* Compute the matrix. CC : the scores of the current row RR : the starting point that leads to score CC DD : the scores of the current row, ending with deletion SS : the starting point that leads to score DD */ /* Initialize the 0 th row */ for ( j = 1; j <= N ; j++ ) { CC[j] = 0; DD[j] = - (q); RR[j] = SS[j] = -j; } for ( i = 1; i <= M; i++) { if ( i == x1 ) heavy = 1 - heavy; if ( i == x2 ) heavy = 1 - heavy; ex = r1; gx = qr1; va = v1[A[i]]; c = 0; /* Initialize column 0 */ f = - (q); ci = fi = i; p = 0; pi = i - 1; for ( j = 1 ; j <= N ; j++ ) { if ( j == y1 ) { if ( heavy ) { ex = r; gx = qr; /* S.S. va = v[A[i]]; */ va = v[A[i]]; } } if ( j == y2 ) { if ( heavy ) { ex = r1; gx = qr1; va = v1[A[i]]; } } if ( ( f = f - ex ) < ( c = c - gx ) ) { f = c; fi = ci; } di = SS[j]; if ( ( d = DD[j] - ex ) < ( c = CC[j] - gx ) ) { d = c; di = RR[j]; } c = p+va[B[j]]; /* diagonal */ ci = pi; if ( c < d ) { c = d; ci = di; } if ( c < f ) { c = f; ci = fi; } p = CC[j]; CC[j] = c; pi = RR[j]; RR[j] = ci; DD[j] = d; SS[j] = di; if ( ( j == N || i == M ) && c > SCORE ) { SCORE = c; ENDI = i; ENDJ = j; STARI = ci; } } } if ( SCORE ) if ( STARI < 0 ) { STARJ = - STARI; STARI = 0; } else STARJ = 0; } /* diff(A,B,M,N,tb,te) returns the score of an optimum conversion between A[1..M] and B[1..N] that begins(ends) with a delete if tb(te) is zero and appends such a conversion to the current script. */ int diff(A,B,M,N,tb,te) char *A, *B; int M, N; int tb, te; { int midi, midj, type; /* Midpoint, type, and cost */ int midc; { register int i, j; register int c, e, d, s; int t, *va; char *my_calloc(); /* Boundary cases: M <= 1 or N == 0 */ if (N <= 0) { if (M > 0) DEL(M) return - gap(M); } if (M <= 1) { if (M <= 0) { INS(N); return - gap(N); } if (tb > te) tb = te; midc = - (tb + r + gap(N) ); midj = 0; va = v[A[1]]; for (j = 1; j <= N; j++) { c = va[B[j]] - ( gap(j-1) + gap(N-j) ); if (c > midc) { midc = c; midj = j; } } if (midj == 0) { INS(N) DEL(1) } else { if (midj > 1) INS(midj-1) REP if ( (A[1]|32) == (B[midj]|32) ) no_mat += 1; else no_mis += 1; if (midj < N) INS(N-midj) } return midc; } /* Divide: Find optimum midpoint (midi,midj) of cost midc */ midi = M/2; /* Forward phase: */ CC[0] = 0; /* Compute C(M/2,k) & D(M/2,k) for all k */ t = -q; for (j = 1; j <= N; j++) { CC[j] = t = t-r; DD[j] = t-q; } t = -tb; for (i = 1; i <= midi; i++) { s = CC[0]; CC[0] = c = t = t-r; e = t-q; va = v[A[i]]; for (j = 1; j <= N; j++) { if ((c = c - qr) > (e = e - r)) e = c; if ((c = CC[j] - qr) > (d = DD[j] - r)) d = c; c = s+va[B[j]]; if (c < d) c = d; if (c < e) c = e; s = CC[j]; CC[j] = c; DD[j] = d; } } DD[0] = CC[0]; RR[N] = 0; /* Reverse phase: */ t = -q; /* Compute R(M/2,k) & S(M/2,k) for all k */ for (j = N-1; j >= 0; j--) { RR[j] = t = t-r; SS[j] = t-q; } t = -te; for (i = M-1; i >= midi; i--) { s = RR[N]; RR[N] = c = t = t-r; e = t-q; va = v[A[i+1]]; for (j = N-1; j >= 0; j--) { if ((c = c - qr) > (e = e - r)) e = c; if ((c = RR[j] - qr) > (d = SS[j] - r)) d = c; c = s+va[B[j+1]]; if (c < d) c = d; if (c < e) c = e; s = RR[j]; RR[j] = c; SS[j] = d; } } SS[N] = RR[N]; midc = CC[0]+RR[0]; /* Find optimal midpoint */ midj = 0; type = 1; for (j = 0; j <= N; j++) if ((c = CC[j] + RR[j]) >= midc) if (c > midc || CC[j] != DD[j] && RR[j] == SS[j]) { midc = c; midj = j; } for (j = N; j >= 0; j--) if ((c = DD[j] + SS[j] + q) > midc) { midc = c; midj = j; type = 2; } } /* Conquer: recursively around midpoint */ if (type == 1) { (void) diff(A,B,midi,midj,tb,q); (void) diff(A+midi,B+midj,M-midi,N-midj,q,te); } else { (void) diff(A,B,midi-1,midj,tb,zero); DEL(2); (void) diff(A+midi+1,B+midj,M-midi-1,N-midj,zero,te); } return midc; } /* lib.c - library of C procedures. */ /* fatal - print message and die */ fatal(msg) char *msg; { (void) fprintf(stderr, "%s\n", msg); exit(1); } /* fatalf - format message, print it, and die */ fatalf(msg, val) char *msg, *val; { (void) fprintf(stderr, msg, val); (void) putc('\n', stderr); exit(1); } /* ckopen - open file; check for success */ FILE *ckopen(name, mode) char *name, *mode; { FILE *fopen(), *fp; if ((fp = fopen(name, mode)) == NULL) fatalf("Cannot open %s.", name); return(fp); } /* my_calloc - allocate space; check for success */ char *my_calloc(amount) int amount; { char *malloc(), *p; if ((p = malloc( (unsigned) amount)) == NULL) fatal("Ran out of memory."); return(p); } ./arbsrc_9167/GDE/SUPPORT/count.c0000644012664100000130000001505111656765614016231 0ustar arb_buildcoders/* * Copyright 1991 Steven Smith at the Harvard Genome Lab. * All rights reserved. */ #include #include "Flatio.c" #define FALSE 0 #define TRUE 1 #define JUKES 0 #define OLSEN 1 #define NONE 2 #define Min(a,b) (a)<(b)?(a):(b) int width,start,jump,usecase,sim,correction; int tbl,numseq,num,denom,special; char argtyp[255],argval[255]; float acwt=1.0, agwt=1.0, auwt=1.0, ucwt=1.0, ugwt=1.0, gcwt=1.0; float dist[200][200]; struct data_format data[10000]; float parta[200], partc[200], partg[200], partu[200], setdist(); main(ac,av) int ac; char **av; { int i,j,k; extern int ReadFlat(); FILE *file; width = 1; jump = 1; if(ac==1) { fprintf(stderr, "usage: %s [-sim] [-case] [-c=] ",av[0]); fprintf(stderr,"[-t] alignment_flat_file\n"); exit(1); } for(j=1;jlength,db->length); for(j=0;jnuc[j+i] | casefix; bc = db->nuc[j+i] | casefix; if(ac == 't') ac = 'u'; if(ac == 'T') ac = 'U'; if(bc == 't') bc = 'u'; if(bc == 'T') bc = 'U'; if((ac=='-') || (ac|32)=='n' || (ac==' ') || (bc== '-') || (bc|32)=='n' || (bc==' ')); else { blank = FALSE; if(ac != bc) { match = FALSE; switch(ac) { case 'a': if (bc == 'c') fnum+=acwt; else if(bc == 'g') fnum+=agwt; else if(bc == 'u') fnum+=auwt; break; case 'c': if (bc == 'a') fnum+=acwt; else if(bc == 'g') fnum+=gcwt; else if(bc == 'u') fnum+=ucwt; break; case 'g': if (bc == 'a') fnum+=agwt; else if(bc == 'c') fnum+=gcwt; else if(bc == 'u') fnum+=ugwt; break; case 'u': if (bc == 'a') fnum+=auwt; else if(bc == 'c') fnum+=ucwt; else if(bc == 'g') fnum+=ugwt; break; case 't': if (bc == 'a') fnum+=auwt; else if(bc == 'c') fnum+=ucwt; else if(bc == 'g') fnum+=ugwt; break; default: break; }; } } if((blank == FALSE) && match) { (*num) ++; (*denom) ++; } else if(!blank) (*denom) ++; } } if(special) (*num) = *denom - (int)fnum; return 0; } float setdist(num,denom,a,b) int num,denom,a,b; { float cor; switch (correction) { case OLSEN: cor = parta[a]*parta[b]+ partc[a]*partc[b]+ partg[a]*partg[b]+ partu[a]*partu[b]; break; case JUKES: cor = 0.25; break; case NONE: cor = 0.0; break; default: cor = 0.0; break; }; if(correction == NONE) return(1.0 - (float)num/(float)denom); else return( -(1.0-cor)*log(1.0 / (1.0-cor)*((float)num/(float)denom-cor))); } getarg(av,ndx,atype,aval) char **av,atype[],aval[]; int ndx; { int i,j; char c; for(j=0;(c=av[ndx][j])!=' ' && c!= '=' && c!= '\0';j++) atype[j]=c; if (c=='=') { atype[j++] = c; atype[j] = '\0'; } else { atype[j] = '\0'; j++; } if(c=='=') { for(i=0;(c=av[ndx][j]) != '\0' && c!= ' ';i++,j++) aval[i] = c; aval[i] = '\0'; } return 0; } SetPart() { int a,c,g,u,tot,i,j; char nuc; for(j=0;j */ #include #define TRUE 1 #define FALSE 0 #define MAX(a,b) ((a)>(b)?(a):(b)) #define MIN(a,b) ((a)<(b)?(a):(b)) struct data_format { int length; char *nuc; int offset; char name[64]; char type; }; ErrorOut(code,string) int code; char *string; { if (code == 0) { fprintf(stderr,"Error:%s\n",string); exit(1); } return 0; } char *Calloc2(count,size) int count,size; { char *temp; temp = (char*)calloc(count,size); if(temp == NULL) { fprintf(stdout,"Error in Calloc\n"); exit(-1); } else return(temp); } char *Realloc(block,size) char *block; int size; { char *temp; temp =(char*)realloc(block,size); if(temp == NULL) { fprintf(stdout,"Error in Calloc\n"); exit(-1); } else return(temp); } int ReadFlat(file,align,maxseqs) FILE *file; struct data_format align[]; int maxseqs; { int j,len=0, count=-1,offset; unsigned maxlen = 1024; char Inline[1025]; if(file == NULL) ErrorOut(0, "Cannot open data file"); for(;fgets(Inline,1024,file) != NULL;) { Inline[strlen(Inline)-1] = '\0'; switch(Inline[0]) { case '>': case '#': case '%': case '"': case '@': offset = 0; for(j=0;j maxseqs) ErrorOut(0, "Sorry, alignment is too large"); align[count].nuc = Calloc2(maxlen,sizeof(char)); align[count].type = Inline[0]; align[count].offset = offset; if( align[count].nuc == NULL) ErrorOut(0, "Calloc problem"); sscanf((char*)(Inline+1),"%s", align[count].name); len = 0; break; default: if(len+strlen(Inline) > maxlen) { maxlen = (maxlen+strlen(Inline))*2; align[count].nuc = Realloc(align[count].nuc, maxlen); } for(j=0;jC conversion by Mike Maciukenas, CPGA, Microbiology at University of Illinois. C----------------------------------------------------------------------- C C LEAST SQUARES ALGORITHM FOR FITTING ADDITIVE TREES TO C PROXIMITY DATA C C GEERT DE SOETE -- VERSION 1.01 - FEB. 1983 C VERSION 1.02 - JUNE 1983 C VERSION 1.03 - JULY 1983 C C REFERENCE: DE SOETE, G. A LEAST SQUARES ALGORITHM FOR FITTING C ADDITIVE TREES TO PROXIMITY DATA. PSYCHOMETRIKA, 1983, 48, C 621-626. C DE SOETE, G. ADDITIVE TREE REPRESENTATIONS OF INCOMPLETE C DISSIMILARITY DATA. QUALITY AND QUANTITY, 1984, 18, C 387-393. C REMARKS C ------- C 2) UNIFORMLY DISTRIBUTED RANDOM NUMBERS ARE GENERATED BY A C PROCEDURE DUE TO SCHRAGE. CF. C SCHRAGE, L. A MORE PORTABLE FORTRAN RANDOM NUMBER GENERATOR. C ACM TRANS. ON MATH. SOFTW., 1979, 5, 132-138. C 3) SUBROUTINES VA14AD AND VA14AC (translated into minfungra) ARE C ADAPTED FROM THE HARWELL SUBROUTINE LIBRARY (1979 EDITION). C 4) ALTHOUGH THIS PROGRAM HAS BEEN CAREFULLY TESTED, THE C AUTHOR DISCLAIMS ANY RESPONSABILITY FOR POSSIBLE C ERRORS. C C----------------------------------------------------------------------- */ #include #include #ifdef DARWIN #include #define MAXDOUBLE DBL_MAX #define MINDOUBLE DBL_MIN #else #include #endif #include #include #include #define BUFLEN 1024 #define MAXLEAVES 256 static int m, n, dissim, pr, start, save, seed, nempty; static double ps1, ps2, f, empty, tol, c; static char fname[1000]; static char *names[MAXLEAVES]; static double *delta[MAXLEAVES]; static double **d; static double **g; static double **dold; static FILE *reportf; static int report; extern int errno; double nfac; extern double strtod(); double dabs(a) double a; { return((a<0.0) ? -a : a); } double sqr(a) double a; { return(a*a); } double max(a, b) double a; double b; { return((a>b)?a:b); } int imin(a, b) int a; int b; { return((ai) return(d[j][i]); else show_error("gd: i=j -- programmer screwed up!"); } #endif char *repeatch(string, ch, num) char *string; int ch; int num; { for(string[num--] = '\0'; num >= 0; string[num--] = ch); return(string); } int getachar() /* skips comments! */ { static int oldchar = '\0'; int ch; int more=1; while(more) { ch = getchar(); if(oldchar == '\n' && ch == '#') { while(ch!='\n'&&ch!=EOF) ch=getchar(); oldchar = ch; } else if(oldchar == '\n' && isspace(ch)) ; else more=0; } oldchar = ch; return(ch); } int skip_space() { int ch; while(isspace(ch=getachar())); return(ch); } int getaword(string, len) /* 0 if failed, 1 if data was read, -1 if data read to end of file */ char *string; int len; { int i; int ch; ch = skip_space(); if(ch == EOF) return(0); for(i=0; !isspace(ch) && ch != EOF; i++) { if(i=0 && isspace(string[i]); i--); string[i+1] = '\0'; if(ch==EOF) return(-1); else return(1); } int readtobarorcolon(string, len) /* 0 if failed, 1 if data was read */ char *string; int len; { int i; int ch; ch = skip_space(); if(ch==EOF) return(0); for(i=0; ch!=EOF && ch!='|' && ch!=':'; i++) { if(ch=='\n'||ch=='\r'||ch=='\t') i--; else { if(i=0 && isspace(string[i]); i--); string[i+1] = '\0'; if(ch==EOF) return(-1); else return(1); } char *getmem(nelem, elsize) unsigned nelem, elsize; { char *temp; temp = (char *)calloc(nelem+1, elsize); if(temp == NULL) show_error("Couldn't allocate memory."); else return(temp); } int get_parms(argc, argv) int argc; char **argv; { int i; int cur_arg; /* codes for current argument: ** 0 = no current argument ** 1 = pr ** 2 = start ** 3 = seed ** 4 = ps1 ** 5 = ps2 ** 6 = empty ** 7 = filename */ dissim = 0; pr = 0; start = 2; save = 0; seed = 12345; ps1 = 0.0001; ps2 = 0.0001; empty = 0.0; n = 0; cur_arg = 0; for(i=1; i 3) start = 3; if(save != 1) save = 0; if(seed < 0) seed = 12345; /*printf("dissim=%d\n", dissim);*/ /*printf("pr=%d\n", pr);*/ /*printf("start=%d\n", start);*/ /*printf("save=%d\n", save);*/ /*printf("seed=%d\n", seed);*/ /*printf("ps1=%f\n", ps1);*/ /*printf("ps2=%f\n", ps2);*/ /*printf("empty=%f\n", empty);*/ } int get_data() { int i, j, more; char buf[BUFLEN]; char *ptr; char ch; int result; double temp, nfactor, datmin, datmax; nempty = n = 0; more = 1; ptr = &ch; while(more) { result=readtobarorcolon(buf, BUFLEN); if(result == 0 || result == -1) more = 0; else { n++; names[n] = getmem(BUFLEN, 1); result=readtobar(buf, BUFLEN); if(result != 1) show_error("get_data: bad name syntax, or missing '|'"); strcpy(names[n], buf); if(n>1) delta[n]=(double *)getmem(n, sizeof(double)); else delta[n]=NULL; for(j=1; j datmax && delta[i][j] != empty) datmax = delta[i][j]; datmax += 1.0; for(i=2; i<=n; i++) for(j=1; j=dlikj)&& (dkilj>=dlikj)) { wijkl=djilk-dkilj; fitp+=wijkl*wijkl; fw = fac*wijkl; gji+=fw; g[l][k]+=fw; gki-=fw; g[l][j]-=fw; } else if((djilk>=dkilj)&& (dlikj>=dkilj)) { wijkl=djilk-dlikj; fitp+=wijkl*wijkl; fw = fac*wijkl; gji+=fw; g[l][k]+=fw; gkj-=fw; g[l][i]-=fw; }else{ wijkl=dkilj-dlikj; fitp+=wijkl*wijkl; fw = fac*wijkl; gki+=fw; g[l][j]+=fw; g[l][i]-=fw; gkj-=fw; } } /* l */ g[k][i] += gki; g[k][j] += gkj; g[j][i] += gji; } /* k */ } /* j */ } /* i*/ f = fitl+r*fitp; } static double **dr, **dgr, **d1, **gs, **xx, **gg; static int iterc, prc; print_iter(maxfnc, f) int maxfnc; double f; { int i, j; if(pr == 0) { iterc++; } else if(prc < abs(pr)) { prc++; iterc++; } else { printf("Iteration %6d", iterc); printf(": function values %6d", maxfnc); printf(" f = %24.16e\n", f); if(pr < 0) { printf(" d[] looks like this:\n"); for(i=2;i<=n;i++) { printf(" "); for(j=1;j 0) { prc = 0; print_iter(maxfnc, f); return 0; } if(itcrs>m) { for(i=2;i<=n;i++) for(j=1;j= 0.0) { retry = -retry; if(imin(retry, maxfnk)<2) { printf("minfungra: \ gradient wrong or acc too small\n"); flag = 2; } else itcrs = m+1; goto L30; } xmin = 0.0; fmin = f; finit = f; gsinit = gsumsq; gmin = dginit; gm = dginit; xbound = -1.0; xnew = xnew * min(1.0, dgstep/dginit); dgstep = dginit; L170: c = xnew-xmin; dtest = 0.0; for(i=1;i<=n;i++) for(j=1;j1) { for(gnew = 0.0,i=1;i<=n;i++) for(j=1;j1 && f1 && f==fmin && dabs(gnew) <= dabs(gmin))) { maxfnk = maxfnc; gsumsq = 0.0; for(i=1;i<=n;i++) for(j=1;jclt*dabs(dginit) || (dabs(gm)<=clt*dabs(dginit) && dabs(gm*beta) >= clt*gsumsq)) { L310: clt += 0.3; if(clt>0.8) { retry = -retry; if(imin(retry, maxfnk)<2) { printf("minfungra: \ gradient wrong or acc too small\n"); flag = 2; } else itcrs = m+1; goto L30; } xold = xnew; xnew = .5*(xmin+xold); if(maxfnk >= maxfnc && gmin*gnew > 0.0) { xnew = 10.0*xold; if(xbound>=0.0) { xnew = 0.5*(xold+xbound); } } c = gnew-(3.0*gnew + gmin-4.0*(f-fmin)/(xold-xmin))* (xold-xnew)/(xold-xmin); if(maxfnk>=maxfnc) { if(gmin*gnew<=0.0) { xbound = xmin; } xmin = xold; fmin = f; gmin = gnew; } else xbound = xold; if(c*gmin < 0.0) xnew = (xmin*c-xnew*gmin)/(c-gmin); goto L170; } if(min(f, fmin)=finit && gsumsq < gsinit)) { if(itcrsps2) { iter++; r*=10.0; } } while (dif>ps2); fungra(); for(i=2; i<=n; i++) { free(dr[i]); free(dgr[i]); free(d1[i]); free(gs[i]); free(xx[i]); free(gg[i]); } free(dr); free(dgr); free(d1); free(gs); free(xx); free(gg); } double gttol() { double result; int i, j, k, l; result = 0.0; nm0 = n; nm1 = n-1; nm2 = n-2; nm3 = n-3; for(i=1;i<=nm3;i++) for(j=i+1;j<=nm2;j++) for(k=j+1;k<=nm1;k++) for(l=k+1;l<=nm0;l++) if((d[j][i]+d[l][k]>=d[l][i]+d[k][j])&& (d[k][i]+d[l][j]>=d[l][i]+d[k][j])) result=max(result, dabs(d[j][i]+d[l][k]-d[k][i]-d[l][j])); else if((d[j][i]+d[l][k]>=d[k][i]+d[l][j])&& (d[l][i]+d[k][j]>=d[k][i]+d[l][j])) result=max(result, dabs(d[j][i]+d[l][k]-d[l][i]-d[k][j])); else if((d[k][i]+d[l][j]>=d[j][i]+d[l][k])&& (d[l][i]+d[k][j]>=d[j][i]+d[l][k])) result=max(result, dabs(d[k][i]+d[l][j]-d[l][i]-d[k][j])); return(result); } gtcord() { double sumx, sumy, ssqx, ssqy, scp, fn; int i, j; sumx = sumy = ssqx = ssqy = scp = 0.0; for(i=1;i<=n;i++) for(j=1;j4) { maxcnt=-1; for(i=1;i<=nnode;i++) if(!act[i]) for(j=1;jmaxcnt) { maxcnt = count; arcim=max(0.0, arci/count); arcjm=max(0.0, arcj/count); im=i; jm=j; } } nnode++; if(nnode+2>maxnode) show_error("get_tree: number of nodes exceeds 2N-2"); ninv++; mergei[ninv]=im; mergej[ninv]=jm; act[im]=true; act[jm]=true; d[nnode]=(double *)getmem(nnode-1, sizeof(double)); d[nnode][im]=arcim; d[nnode][jm]=arcjm; for(i=1;i<=nnode-1;i++) if(!act[i]) d[nnode][i] = max(0.0, gd(im,i)-arcim); nact--; } for(i=1;act[i];i++) if(i>nnode) show_error("get_tree: can't find last two invisible nodes"); im=i; for(i=im+1;act[i];i++) if(i>nnode) show_error("get_tree: can't find last two invisible nodes"); jm=i; for(i=jm+1;act[i];i++) if(i>nnode) show_error("get_tree: can't find last two invisible nodes"); km=i; for(i=km+1;act[i];i++) if(i>nnode) show_error("get_tree: can't find last two invisible nodes"); lm=i; if(gd(im,jm)+gd(km,lm)<=gd(im,km)+gd(jm,lm)+tol && gd(im,jm)+gd(km,lm)<=gd(im,lm)+gd(jm,km)+tol) { i=im; j=jm; k=km; l=lm; } else if(gd(im,lm)+gd(jm,km)<=gd(im,km)+gd(jm,lm)+tol && gd(im,lm)+gd(jm,km)<=gd(im,jm)+gd(km,lm)+tol) { i=im; j=lm; k=km; l=jm; } else if(gd(im,km)+gd(jm,lm)<=gd(im,jm)+gd(km,lm)+tol && gd(im,km)+gd(jm,lm)<=gd(im,lm)+gd(jm,km)+tol) { i=im; j=km; k=lm; l=jm; } nnode++; ninv++; mergei[ninv]=i; mergej[ninv]=j; d[nnode]=(double *)getmem(nnode-1, sizeof(double)); d[nnode][i] = max(0.0, (gd(i,j)+gd(i,k)-gd(j,k))/2.0); d[nnode][j] = max(0.0, (gd(i,j)+gd(j,l)-gd(i,l))/2.0); nnode++; ninv++; mergei[ninv]=k; mergej[ninv]=l; d[nnode]=(double *)getmem(nnode-1, sizeof(double)); d[nnode][k] = max(0.0, (gd(k,l)+gd(i,k)-gd(i,l))/2.0); d[nnode][l] = max(0.0, (gd(k,l)+gd(j,l)-gd(j,k))/2.0); d[nnode][nnode-1] = max(0.0, (gd(i,k)+gd(j,l)-gd(i,j)-gd(k,l))/2.0); } print_node(node, dist, indent) int node; double dist; int indent; { static char buf[BUFLEN]; if(node<=n) printf("%s%s:%6.4f", repeatch(buf, '\t', indent), names[node], dist/nfac); else { printf("%s(\n", repeatch(buf, '\t', indent)); print_node(mergei[node-n], gd(node, mergei[node-n]), indent+1); printf(",\n"); print_node(mergej[node-n], gd(node, mergej[node-n]), indent+1); printf("\n%s):%6.4f", repeatch(buf, '\t', indent), dist/nfac); } } show_tree() { int i, j, current; int ij[2]; current=0; for(i=1;current<2;i++) { for(j=1;(mergei[j]!=i && mergej[j] != i) && j<=ninv;j++); if(j>ninv) ij[current++]=i; } printf("(\n"); print_node(ij[0], gd(ij[0],ij[1])/2.0, 1); printf(",\n"); print_node(ij[1], gd(ij[0],ij[1])/2.0, 1); printf("\n);\n"); } show_help() { printf("\nlsadt--options:\n"); printf(" -f file - write report to 'file'\n"); printf(" -d - treat data as dissimilarities (default)\n"); printf(" -s - treat data as similarities\n"); printf(" -print 0 - don't print out iteration history (default)\n"); printf(" -print n>0 - print out iteration history every n iterations\n"); printf(" -print n<0 - print out iteration history every n iterations\n"); printf(" (including current distance estimates & gradients)\n"); printf(" -init n - initial parameter estimates (default = 3)\n"); printf(" n=1 - uniformly distributed random numbers\n"); printf(" n=2 - error-perturbed data\n"); printf(" n=3 - original distance data from input matrix\n"); printf(" -save - save final parameter estimates (default is don't save\n"); printf(" -seed n - seed for random number generator (default = 12345)\n"); printf(" -ps1 n - convergence criterion for inner iterations (default = 0.0001)\n"); printf(" -ps2 n - convergence criterion for major iterations (default = 0.0001)\n"); printf(" -empty n - missing data indicator (default = 0.0)\n"); printf(" -help - show this help text\n"); exit(0); } show_error(message) char *message; { printf("\n>>>>ERROR:\n>>>>%s\n", message); exit(0); } main(argc, argv) int argc; char **argv; { int i; strcpy(fname, ""); get_parms(argc, argv); if(strcmp(fname, "")) { report=1; reportf = fopen(fname, "w"); if(reportf==NULL) { perror("lsadt"); exit(0); } } else report=0; get_data(); d = (double **)getmem(n, sizeof(delta[1])); g = (double **)getmem(n, sizeof(delta[1])); dold = (double **)getmem(n, sizeof(delta[1])); d[1]=NULL; g[1]=NULL; dold[1]=NULL; for(i=2; i<=n; i++) { d[i]=(double *)getmem(i-1, sizeof(double)); g[i]=(double *)getmem(i-1, sizeof(double)); dold[i]=(double *)getmem(i-1, sizeof(double)); } initd(); get_dist(); goodfit(); additive_const(); get_tree(); show_tree(); if(report) close(reportf); } ./arbsrc_9167/GDE/SUPPORT/Makefile0000644012664100000130000000151711213220011016335 0ustar arb_buildcoders.SUFFIXES: .o .c .depend OBJECT = CAP2.o Restriction.o Zuk_to_gen.o count.o findall.o lsadt.o \ sho_helix.o varpos.o BINARIES=$(OBJECT:%.o=$(ARBHOME)/bin/%) all: $(BINARIES) $(ARBHOME)/bin/%: %.c $(ACC) $(cflags) -o $@ $< $(AINCLUDES) -lm clean: rm -f $(BINARIES) DEPENDS = $(OBJECT:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl count.o: Flatio.c findall.o: Flatio.c Restriction.o: Flatio.c sho_helix.o: Flatio.c varpos.o: Flatio.c ./arbsrc_9167/GDE/SUPPORT/PrintContig.c0000644012664100000130000000271711213220011017304 0ustar arb_buildcoders#include "Flatio.c" #define WIDTH 50 main() { struct data_format data[10000]; int i,j,k,numseqs,maxlen = 0,minlen=999999999; int lines_printed; int len[1000]; char a,b; numseqs = ReadFlat(stdin,data,10000); if(numseqs == 0) exit(1); for(k=0;k j+WIDTH) || (data[i].offset+data[i].length=data[i].offset)) putchar(data[i].nuc[k-data[i].offset]); else putchar(' '); } } } if(lines_printed) { printf("\n |---------|---------|---------|---------|---------\n"); printf(" %6d %6d %6d %6d %6d\n\n",j+1,j+11,j+21,j+31,j+41); } } putchar('\n'); exit(0); } int indx(pos,seq) int pos; struct data_format *seq; { int j,count=0; if(pos < seq->offset) return (0); if(pos>seq->offset+seq->length) pos = seq->offset+seq->length; pos -= seq->offset; for(j=0;jnuc[j] != '-') if(seq->nuc[j] != '~') count++; return (count); } ./arbsrc_9167/GDE/SUPPORT/Restriction.c0000644012664100000130000000622511213220011017347 0ustar arb_buildcoders/* * Copyright 1991 Steven Smith at the Harvard Genome Lab. * All rights reserved. */ #include "Flatio.c" main(ac,av) int ac; char **av; { struct data_format data[10000]; FILE *file; int i,j,k,color,numseqs,numenzymes,nextpos,len; char enzymes[80][80],dummy[80]; if(ac<3) { fprintf(stderr,"Usage: %s enzyme_file seq_file\n",av[0]); exit(-1); } file = fopen(av[2],"r"); if(file == NULL) exit(-1); numseqs = ReadFlat(file,data,10000); file = fopen(av[1],"r"); if(file == NULL) exit(-1); for(numenzymes = 0; fscanf(file,"%s %s",enzymes[numenzymes],dummy)>0; numenzymes++); for(i=0;i1) */ printf("name:%s\n",data[i].name); printf("length:%zu\n",strlen(data[i].nuc)); if(numseqs>1) printf("nodash:\n"); printf("start:\n"); for(j=0;j0) for(flag = FALSE,j=offset;j(b)?(a):(b)) /* * Varpos.c- An extremely simple program for showing which positions * are varying in an alignment. Use this as a model for other * external functions. * * Read in a flat file alignment, pass back an alignment color * mask. * * Copyright 1991/1992 Steven Smith, Harvard Genome lab. * */ main(ac,av) int ac; char **av; { struct data_format data[10000]; int i,j,k,numseqs,rev = FALSE; int maxlen = -99999, score = 0, minoffset = 99999; char ch; if(ac>2) { fprintf(stderr,"Usage %s [-rev]gde_color_mask\n", av[0]); exit(1); } if(ac == 2) if(strcmp(av[1],"-rev") == 0) rev = TRUE; numseqs = ReadFlat(stdin,data,10000); if(numseqs == 0) exit(1); for(j=0;j maxlen) maxlen = data[j].length+data[j].offset; if(data[j].offset < minoffset) minoffset = data[j].offset; } printf("length:%d\n",maxlen); printf("offset:%d\n",minoffset); printf("start:\n"); for(j=0;j j) { if(j>data[k].offset) ch=data[k].nuc[j-data[k].offset] | 32; else ch = '-'; if(ch=='a')a++; if(ch=='c')c++; if(ch=='g')g++; if(ch=='u')u++; if(ch=='t')u++; } score=MAX(a,c); score=MAX(score,g); score=MAX(score,u); if(a+c+g+u) { if(rev) score=(score*6/(a+c+g+u)+8); else score=((8-score*6/(a+c+g+u))+8); } else score=8; printf("%d\n",score); } exit(0); } ./arbsrc_9167/GDE/SUPPORT/Zuk_to_gen.c0000755012664100000130000000376211656765614017216 0ustar arb_buildcoders#include typedef struct Sequence { int len; char name[80]; char type[8]; char *nuc; } Sequence; main() { char a[5000],b[5000],Inline[132]; int pos1,pos2,pos3,i,j,k,FLAG; Sequence pair[2]; for(j=0;j<5000;j++) b[j]='-'; FLAG = (int)gets(Inline); for(j=0;FLAG;j++) { FLAG = (int)gets(Inline); sscanf(Inline,"%d",&pos1); if((sscanf(Inline,"%*6c %c %d %d %d",&(a[j]),&k,&pos2,&pos3) == 4) && (FLAG)) { if(pos3!=0) { if(pos1 Copyright (C) This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA Also add information on how to contact you by electronic and paper mail. If the program is interactive, make it output a short notice like this when it starts in an interactive mode: Gnomovision version 69, Copyright (C) year name of author Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. This is free software, and you are welcome to redistribute it under certain conditions; type `show c' for details. The hypothetical commands `show w' and `show c' should show the appropriate parts of the General Public License. Of course, the commands you use may be called something other than `show w' and `show c'; they could even be mouse-clicks or menu items--whatever suits your program. You should also get your employer (if you work as a programmer) or your school, if any, to sign a "copyright disclaimer" for the program, if necessary. Here is a sample; alter the names: Yoyodyne, Inc., hereby disclaims all copyright interest in the program `Gnomovision' (which makes passes at compilers) written by James Hacker. , 1 April 1989 Ty Coon, President of Vice This General Public License does not permit incorporating your program into proprietary programs. If your program is a subroutine library, you may consider it more useful to permit linking proprietary applications with the library. If this is what you want to do, use the GNU Library General Public License instead of this License. ./arbsrc_9167/GDE/TREEPUZZLE/doc/manual.html0000644012664100000130000021602411213220011020143 0ustar arb_buildcoders Documentation of TREE-PUZZLE 5.0

    PUZZLE Logo TREE-PUZZLE Manual PPUZZLE Logo

    Maximum likelihood analysis for nucleotide, amino acid, and two-state data

    Version 5.0
    October 2000
    Copyright 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, Martin Vingron, and Arndt von Haeseler
    Copyright 1995-1999 by Korbinian Strimmer and Arndt von Haeseler

    Heiko A. Schmidt, email: h.schmidt@dkfz-heidelberg.de, Theoretical Bioinformatics, DKFZ, Im Neuenheimer Feld 280, D-69124 Heidelberg, Germany.

    Korbinian Strimmer, email: korbinian.strimmer@zoo.ox.ac.uk, Department of Zoology, University of Oxford, South Parks Road, Oxford OX1 3PS, UK.

    Martin Vingron, email: vingron@dkfz-heidelberg.de, Theoretical Bioinformatics, DKFZ, Im Neuenheimer Feld 280, D-69124 Heidelberg, Germany.

    Arndt von Haeseler, email: haeseler@eva.mpg.de, Max-Planck-Institute for Evolutionary Anthropology, Inselstr. 22, D-04103 Leipzig, Germany.

    The official name of the program has been changed to TREE-PUZZLE to avoid legal conflict with the Fraunhofer Gesellschaft. We are sorry for any inconvenience this may cause to you. Any reference to PUZZLE in this package is only colloquial and refers to TREE-PUZZLE.

    TREE-PUZZLE is a computer program to reconstruct phylogenetic trees from molecular sequence data by maximum likelihood. It implements a fast tree search algorithm, quartet puzzling, that allows analysis of large data sets and automatically assigns estimations of support to each internal branch. TREE-PUZZLE also computes pairwise maximum likelihood distances as well as branch lengths for user specified trees. Branch lengths can also be calculated under the clock-assumption. In addition, TREE-PUZZLE offers a novel method, likelihood mapping, to investigate the support of a hypothesized internal branch without computing an overall tree and to visualize the phylogenetic content of a sequence alignment. TREE-PUZZLE also conducts a number of statistical tests on the data set (chi-square test for homogeneity of base composition, likelihood ratio to test the clock hypothesis, Kishino-Hasegawa test). The models of substitution provided by TREE-PUZZLE are TN, HKY, F84, SH for nucleotides, Dayhoff, JTT, mtREV24, BLOSUM 62, VT, WAG for amino acids, and F81 for two-state data. Rate heterogeneity is modelled by a discrete Gamma distribution and by allowing invariable sites. The corresponding parameters can be inferred from the data set.

    TREE-PUZZLE is available free of charge from

    http://www.tree-puzzle.de/ (TREE-PUZZLE home page)
    http://www.dkfz-heidelberg.de/tbi/tree-puzzle/ (TREE-PUZZLE home page mirror at DKFZ)
    http://iubio.bio.indiana.edu/soft/molbio/evolve (IUBio archive www, USA)
    ftp://iubio.bio.indiana.edu/molbio/evolve (IUBio archive ftp, USA)
    ftp://ftp.ebi.ac.uk/pub/software (European Bioinformatics Institute, UK)
    ftp://ftp.pasteur.fr/pub/GenSoft (Institut Pasteur, France)
    TREE-PUZZLE is written in ANSI C. It will run on most personal computers and workstations if compiled by an appropriate C compiler. The tree reconstruction part of TREE-PUZZLE has been parallelized using the Message Passing Interface (MPI) library standard (Snir et al., 1998 and Gropp et al., 1998). If desired to run TREE-PUZZLE in parallel you need an implementation of the MPI library on your system as well.

    Please read the installation section for more details.

    We suggest that this documentation should be read before using TREE-PUZZLE the first time. If you do not have the time to read this manual completely please do read at least the sections Input/Output Conventions and Quick Start below. Then you should be able to use the TREE-PUZZLE program, especially if you have some experience with the PHYLIP programs. The other sections should then be read at a later time.

    To find out what's new in version 5.0 please read the Version History.


    Contents


    Legal Stuff

    TREE-PUZZLE 5.0 is (c) 1999-2000 Heiko A. Schmidt, Korbinian Strimmer, Martin Vingron, and Arndt von Haeseler.
    Earlier PUZZLE versions were (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler.
    The software and its accompanying documentation are provided as is, without guarantee of support or maintenance. The whole package is licensed under the GNU public license, except for the parts indicated in the sources where the copyright of the authors does not apply. Please see http://www.opensource.org/licenses/gpl-license.html for details.

    Installation

    The source code of the TREE-PUZZLE software is 100% identical across platforms. However, installation procedures differ.

    UNIX

    Get the file tree-puzzle-5.0.tar. If you received a compressed tar file (tree-puzzle-5.0.tar.Z or tree-puzzle-5.0.tar.gz) you have to decompress it first (using the "uncompress" or "gunzip" command). Then untar the file with
            tar xvf tree-puzzle-5.0.tar
    The newly created directory "tree-puzzle-5.0" contains four subdirectories called "doc", "data", "bin", and "src". The "doc" directory contains this manual in HTML format. The "data" directory contains example input files. The "src" directory contains the ANSI C sources of TREE-PUZZLE. Switch to this directory by typing
            cd tree-puzzle-5.0
    To compile we recommend the GNU gcc (or GNU egcs) compiler. If gcc is installed just type
            sh ./configure
            make
            make install
    and the executable puzzle is compiled and put into the /usr/local/bin directory. If you want to have puzzle installed into another directory you can set this by setting the --prefix=/name/of/the/wanted/directory directive at the sh ./configure command line. The parallel version should have been built and installed as well, if configure found a known MPI compiler (cf. Parallel TREE-PUZZLE section). Then type
            make clean
    and everything will be nicely cleaned up. If your compiler is not the GNU gcc compiler and not found by configure you will have to modify that, by setting the CC variable (e.g. setenv CC cc under csh or CC=cc; export CC under sh) before running sh ./configure. If you still cannot compile properly then your compiler or its runtime library is most probably not ANSI compliant (e.g., old SUN compilers). In most cases, however, you will succeed to compile by changing some parameters in the "makefile". Ask your local Unix expert for help.

    MacOS

    Get the file tree-puzzle-5.0.hqx. After decoding this BinHex file (this is done automatically on a properly installed system, otherwise use programs like "StuffIt Expander" or ask your local Mac expert) you will find a folder called "tree-puzzle-5.0" on your hard disk. This folder contains the four subfolders "doc", "data", "bin", and "src". The "doc" folder contains this manual in HTML format. The "data" folder contains example input files. The "bin" folder contains a Macintosh PPC executable with a default memory partition of 3000K. There is no 68k executable. If you get a memory allocation error while running TREE-PUZZLE you have to increase TREE-PUZZLE´s memory partition with the "Get Info" command of the Macintosh Finder. The "src" folder contains the ANSI C sources of TREE-PUZZLE.

    The MacOS executables have been compiled for the PowerMac using Metrowerks CodeWarrior.

    Note: It is probably a good idea to install PPC Linux (or MkLinux) on your Macintosh. TREE-PUZZLE (as any other program) runs 20-50% faster under Linux compared to the same program under MacOS (on the same machine!), and the Mac does not freeze during execution because of Linux´s multitasking capabilities (maybe this changes in MacOS X).

    Windows 95/98/NT

    Get the file tree-puzzle-5.0.zip. After uncompressing (using, e.g., WinZip or a similar tool) a directory "tree-puzzle-5.0" is created containing four subdirectories called "doc", "data", "bin", and "src". The "doc" directory contains this manual in HTML format. The "data" directory contains example input files. The "src" directory contains the ANSI C sources of TREE-PUZZLE. The "bin" directory contains the executable puzzle.exe. To use TREE-PUZZLE the system path to the executable needs to be set correctly. Ask your local Windows expert for help.

    The executable has been compiled using Microsoft Visual C++ and the "makefile.w32" (contained in "src").

    If you have a Linux partition on your PC we recommend to install and use TREE-PUZZLE under Linux (see Unix section) because it runs TREE-PUZZLE significantly faster than Windows.

    VMS

    Get the Unix sources and install the package on your computer (ask your local VMS expert for help). Go to the subdirectory "src" and compile TREE-PUZZLE using the command file "makefile.com".

    Parallel TREE-PUZZLE

    To compile and run the parallelized TREE-PUZZLE you need an implementation of the Message Passing Interface (MPI) library, a widely used message passing library standard. Implementations of the MPI libraries are available for almost all parallel platforms and computer systems, and there are free implementations for most platforms as well.

    To find an MPI implementation suitable for your platform visit the following web sites:

    Although MPI is also available on Macintosh and Windows systems, the developers never ran the parallel version on those platforms.

    To install the parallel version of TREE-PUZZLE you need the Unix sources for TREE-PUZZLE and install the package on your computer as described above. The configure should configure the Makefiles apropriately. If there is no known MPI compiler found on the system the parallel version is not configured. (If problems occur ask your local system administrator for help.)

    Than you should be able to compile the parallel version of TREE-PUZZLE using the following commands:

            sh ./configure
            make
            make install
    and the executable ppuzzle is compiled and put into the /usr/local/bin directory. If you want to have the executable installed into another directory please proceede as described in the Unix section. If your compiler is non out of mpcc (IBM), hcc (LAM), mpicc_lam (LAM under LINUX), mpicc_mpich (MPICH under LINUX), and mpicc (LAM, MPICH, HP-UX, etc.) and not found by configure you will have to modify that by setting the MPICC variable (e.g. setenv MPICC /another/mpicc under csh or MPICC=/another/mpicc; export MPICC under sh) before running sh ./configure. The way you have to start ppuzzle depends on the MPI implementation installed. So please refer to your MPI manual or ask your local MPI expert for help.

    Note:
    The parallelization of the tree reconstruction method follows a master-worker-concept, i.e., a master process handles the scheduling of the computation to the n worker processes, while the worker processes are doing almost all the computation work of evaluating the quartets and constructing the puzzling step trees.
    Since the master process does not require a lot of CPU time, it can be scheduled sharing one processor with a worker process. Thus, you can run ppuzzle by assigning n+1 processes.
    If you want to evaluate a usertree or perform likelihood mapping analysis it is not recommended to do a parallel run, because all the computation will be done by the master process. Hence a run of the sequential version of TREE-PUZZLE is more appropriate for usertree or likelihood mapping analysis.

    Introduction

    TREE-PUZZLE is an ANSI C application to reconstruct phylogenetic trees from molecular sequence data by maximum likelihood. It implements a fast tree search algorithm, quartet puzzling, that allows analysis of large data sets and automatically assigns estimations of support to each internal branch. Rate heterogeneity (invariable sites plus Gamma distributed rates) is incorporated in all models of substitution available (nucleotides: SH, TN, HKY, F84, and submodels; amino acids: Dayhoff, JTT, mtREV24, BLOSUM 62, VT, and WAG; two-state data: F81). All parameters including rate heterogeneity can be estimated from the data by maximum likelihood approaches. TREE-PUZZLE also computes pairwise maximum likelihood distances as well as branch lengths for user specified trees. In addition, TREE-PUZZLE offers a novel method, likelihood mapping, to investigate the support of internal branches without computing an overall tree.

    Input/Output Conventions

    A few things of the name conventions have changed compared to earlier (< 5.0) PUZZLE releases. From version 5.0 onwards names of the sequence input file and the usertree file can be specified at the command line (e.g. 'puzzle infilename intreename', where infilename is the name of the sequence file and intreename is the name of the usertree file). If only the input filename or no filename is given at the command line the TREE-PUZZLE software searches for input files named "infile" and/or "intree" respectively.

    The naming conventions of the output files have changed as well. As prefix of the output filenames the name of the sequence input file (or the usertree file in the usertree analysis case) is used and an extension added to denote the content of the file. If no input filename is given at the command line the default filenames of the earlier versions are used. The following extensions/default filenames are possible:

    Extensiondefault filenamefile content
    .puzzle outfile for the TREE-PUZZLE report
    .dist outdist for the ML distances
    .tree outtree for the final tree(s)
    .qlist outqlist for the list of unresolved quartets
    .ptorderoutptorder for the list of unique puzzling step tree topologies
    .pstep outpstep for the list of puzzling step tree topologies in chronological order
    .eps outlm.eps for the EPS file generated in the likelihood mapping analysis
    The file types are described in detail below. In the following "INFILENAME" denotes the prefix, which is the sequence input filename or the usertree filename respectively.

    Sequence Input

    TREE-PUZZLE requests sequence input in PHYLIP INTERLEAVED format (sometimes also called PHYLIP 3.4 format). Many sequence editors and alignment programs (e.g., CLUSTAL W) output data in this format. The "data" directory contains four example input files ("globin.a", "marswolf.n", "atp6.a", "primates.b") that can be used as templates for own data files. The default name of the sequence input file is "infile", if no input filename is given at the command line. If an "infile" or a file with the given name is not present TREE-PUZZLE will request an alternative file name. Sequences names in the input file are allowed to contain blanks but all blanks will internally be converted to underscores "_". Sequences can be in upper or lower case, any spaces or control characters are ignored. The dot "." is recognized as character matching to the first sequence, it can be used in all sequences except in the first sequence. Valid symbols for nucleotides are A, C, G, T and U, and for amino acids A, C, D, E, F, G, H, I, K, L, M, N, P, Q, R, S, T, V, W, and Y. All other visible characters (including gaps, question marks etc.) are treated as N (DNA/RNA) or X (amino acids). For two-state data the symbols 0 and 1 are allowed. The first sequence in the data set is considered the default outgroup.

    General Output

    All results are written to the TREE-PUZZLE report file (INFILENAME.puzzle or outfile). If the option "List all unresolved quartets" is invoked a file called "INFILENAME.qlist"/"outqlist" is created showing all these quartets. If the option "List puzzling step trees" is set accordingly the files "INFILENAME.pstep"/"outpstep" and/or "INFILENAME.ptorder"/"outptorder" are generated.

    The "INFILENAME.ptorder"/"outptorder" file contains the unique tree topologies in PHYLIP format preceded by PHYLIP-format comment (in parenthesis). A typical line in the ptorder file looks like this:

    [ 2. 60 6.00 2 5 1000 ](chicken,((cat,(horse,(mouse,rat))),(opossum,platypus)));

    The entries (separated by single blanks) in the parenthesis mean the following:
    • 2. - Topology occurs second-most among all intermediate tree topologies (= order number).
    • 60 - Topology occurs 60 times.
    • 6.00 - Topology occurs in 6.00 % of the intermediate tree topologies.
    • 2 - unique topology ID (needed for the pstep file)
    • 5 - Sum of uniquely occuring topologies.
    • 1000 - Sum of intermediate trees estimated during the analysis.

    The "INFILENAME.pstep"/"outpstep" file contains a log of the puzzling steps performed and the occuring tree topologies. A typical line in the pstep file contains the following entries (separated by tabstops):

    6. 55 698 3 5 828

    The entries in the rows mean the following:
    • 6. - 6th block of intermediate trees performed.
    • 55 - number of intermediate trees inferred in this block.
    • 698 - occurances of this topology so far.
    • 3 - unique topology ID (for lookup in the ptorder file).
    • 5 - number unique topologies occurred so far.
    • 828 - number of puzzling step performed so far.
    In the case of a sequential run (puzzle) the entries of this file are more resolved, because every block consists of one intermediate tree.

    Distance Output

    TREE-PUZZLE automatically computes pairwise maximum likelihood distances for all the sequences in the data file. They are written in the TREE-PUZZLE report file "INFILENAME.puzzle"/"outfile" and in the separate file "INFILENAME.dist"/"outdist". The format of distance file is PHYLIP compatible (i.e. it can directly be used as input for PHYLIP distance-based programs such as "neighbor").

    Tree Output

    The quartet puzzling tree with its support values and with maximum likelihood branch lengths is displayed as ASCII drawing in the TREE-PUZZLE report in "INFILENAME.puzzle"/"outfile". The same tree is written into the "INFILENAME.tree"/"outtree" file in CLUSTAL W format. If clock-like maximum-likelihood branch lengths are computed there will be both an unrooted and a rooted tree in the "INFILENAME.puzzle"/"outfile". The tree convention follows the NEWICK format (as implemented in PHYLIP or CLUSTAL W): the tree topology is described by the usual round brackets (a,b,(c,d)); where branch lengths are written after the colon a:0.22,b:0.33. Support values for each branch are displayed as internal node labels, i.e., they follow directly after each node before the branch length to each node. Here is an example:

    (Gibbon:0.1393, ((Human:0.0414, Chimpanzee:0.0538)99:0.0175, Gorilla:0.0577)98:0.0531, Orangutan:0.1003);

    The likelihood value of each tree is added in parenthesis before the tree string (e.g. "[ lh=-1621.201605 ]"). Parenthesis mark comments in the Newick or PHYLIP tree format. In some cases the comment has to be removed before using them with other programs.

    With the programs TreeView and TreeTool it is possible to view a tree both with its branch lengths and simultaneously with the support values for the internal branches (here 98% and 99%). Note, the PHYLIP programs DRAWTREE and DRAWGRAM may also be used with the CLUSTAL W treefile format. However, in the current version (3.5) they ignore the internal labels and simply print the tree topology along with branch lengths.

    Tree Input

    TREE-PUZZLE optionally also reads input trees. The default name for the file containing the input tree is "intree", if not given at the command line, but if you choose the input tree option and there is no file with the given name or "intree" present you will be prompted for an alternative name. The format of the input trees is identical to the trees in the "INFILENAME.tree"/"outtree" file. However, it is sufficient to provide the tree topology only, you don't need to specify branch lengths (that are ignored anyway) or internal labels (that are read, stored, and written back to the "INFILENAME.tree"/"outtree" file). The input trees needs not to be unrooted, they can also be rooted. It is important that sequence names in the input tree file do not contain blanks (use underscores!). The trees can be multifurcating. The format of the tree input file is easy: just put the trees into the file. TREE-PUZZLE counts the ';' at the end of each tree description to determine how many input trees there are. Any header (e.g., with the number of trees) is ignored (this is useful in conjunction with programs like MOLPHY that need this header). If there is more than one tree TREE-PUZZLE performs the Kishino-Hasegawa test.

    Likelihood Mapping Output

    TREE-PUZZLE also offers likelihood mapping analysis, a method to investigate support for internal branches of a tree without computing an overall tree and to graphically visualize phylogenetic content of a sequence alignment. The results of likelihood mapping are written in ASCII to the "INFILENAME.puzzle"/"outfile" as well as to a file called "INFILENAME.eps" or "outlm.eps" respectively. This file contains in encapsulated Postscript format (EPSF) a picture of the triangle that forms the basis of the likelihood mapping analysis. You may print it out on a Postscript capable printer or view it with a suitable program. The "INFILENAME.eps"/"outlm.eps" file can be edited by hand (it is plain ASCII text!) or by drawing programs that understand the Postcript language (e.g., Adobe Ilustrator).

    Quick Start

    Prepare your sequence input file and, optionally, your tree input file. Then start the TREE-PUZZLE program. TREE-PUZZLE will choose automatically the nucleotide or the amino acid mode. If more than 85% of the characters (not counting the - and ?) in the sequences are A, C, G, T, U or N, it will be assumed that the sequences consists of nucleotides. If your data set contains amino acids TREE-PUZZLE suggests whether you have amino acids encoded on mtDNA or on nuclear DNA, and selects the appropriate model of amino acid evolution. If your data set contains nucleotides the default model of sequence evolution chosen is the HKY model. Parameters need not to be specified, they will be estimated by a maximum likelihood procedure from the data. If TREE-PUZZLE detects a usertree file stated at the command line or one called "intree" it automatically switches to the input tree mode.

    Then, a menu (PHYLIP "look and feel") appears with default options set. It is possible to change all available options. For example, if you want to incorporate rate heterogeneity you have to select option "w" as rate heterogeneity is switched off by default. Then type "y" at the input prompt and start the analysis. You will see a number of status messages on the screen during computation. When the analysis is finished all output files (e.g., "outfile", "outtree", "outdist", "outqlist", "outlm.eps", "outpstep", "outptlist" or "INFILENAME.puzzle", "INFILENAME.tree", "INFILENAME.dist", "INFILENAME.qlist", "INFILENAME.eps", "INFILENAME.pstep", "INFILENAME.ptorder") will be in the same directory as the input files.

    To obtain a high quality picture of the output tree (including node labels) you might want to use use the TreeView program by Roderic Page. It is available free of charge and runs on MacOS and MS-Windows. It can be retrieved from http://taxonomy.zoology.gla.ac.uk/rod/treeview.html. TreeView understands the CLUSTAL W treefile conventions, reads multifurcating trees and is able to simultaneously display branch lengths and support values for each branch. Open the "INFILENAME.tree"/"outtree" file with TreeView, choose "Phylogram" to draw branch lengths, and select "Show internal edge labels".

    On a Unix you can use the TreeTool program to display and manipulate TREE-PUZZLE trees (See ftp://rdp.life.uiuc.edu/pub/RDP/programs/TreeTool for precompiled Sun executables. A version that runs on Linux has been prepared by Anders Holmberg from the Dept. of Biochemistry at the Royal Institute of Technology, Stockholm).

    Models of Sequence Evolution

    Here we give a brief overview over the models implemented in TREE-PUZZLE. Formulas are written in TeX style.

    Models of Substitution

    The substitution process is modelled as reversible time homogeneous stationary Markov process. If the corresponding stationary nucleotide (amino acid) frequencies are denoted pi_i the most general rate matrix for the transition from nucleotide (amino acid) i to j can be written as
                    |   Q_{ij} pi_j               for i != j
           R_{ij} = |
                    | - Sum_m Q_{im} pi_m         for i == j
    
    The matrix Q_{ij} is symmetric with Q_{ii} == 0 (diagonals are zero). For nucleotides the most general model built into TREE-PUZZLE is the Tamura-Nei model (TN, Tamura and Nei, 1993). The matrix Q_{ij} for this model equals
                    | 4*t*gamma/(gamma+1)         for i -> j pyrimidine transition
                    |
           Q_{ij} = | 4*t/(gamma+1)               for i -> j purine transition
                    |
                    | 1                           for i -> j transversion
    
    The parameter gamma is called the "Y/R transition parameter" whereas t is the "Transition/transversion parameter". If gamma is equal to 1 we get the HKY model (Hasegawa et al., 1985). Note, the ratio of the transition and transversion rates (without frequencies) is kappa = 2*t. There is a subtle but important difference between the transition-transversion parameter, the expected transition-transversion ratio, and the observed transition transversion ratio. The transition-transversion parameter simply is a parameter in the rate matrix. The expected transition-transversion ratio is the ratio of actually occurring transitions to actually occurring transversions taking into account nucleotide frequencies in the alignment. Due to saturation and multiple hits not all substitutions are observable. Thus, the observed transition-transversion ratio counts observable transitions and transversions only. If the base frequencies in the HKY model are homogeneous (pi_i = 0.25) HKY further reduces to the Kimura model. In this case t is identical to the expected transition/transversion ratio. If t is set to 0.5 the Jukes-Cantor model is obtained. The F84 model (as implemented in the various PHYLIP programs, Felsenstein, 1984) is a special case of the Tamura-Nei model.

    For amino acids the matrix Q_{ij} is fixed and does not contain any free parameters. Depending on the type of input data four different Q_{ij} matrices are available in TREE-PUZZLE. The Dayhoff (Dayhoff et al., 1978) and JTT (Jones et al., 1992) matrices are for use with proteins encoded on nuclear DNA, the mtREV24 (Adachi and Hasegawa, 1996) matrix is for use with proteins encoded on mtDNA, and the BLOSUM 62 (Henikoff and Henikoff, 1992) and the WAG model (Whelan and Goldman) are for more distantly related amino acid sequences. The WAG matrix has been infered from a database of 3905 globular protein sequences, forming 182 distinct gene families spanning a broad range of evolutionary distances (Whelan and Goldman). The VT model is based an new estimator for amino acid replacement rates, the resolvent method. The VT matrix has been computed from a large set alignments of varying degree of divergence. Hence VT is for use with proteins of distant relatedness as well (Mueller and Vingron, 2000).

    For doublets (pairs of dependent nucleotides) the SH model (Schoeniger and von Haeseler, 1994) is implemented in TREE-PUZZLE. The corresponding matrix Q_{ij} reads

                    | 2*t         for i -> j transition substitution
                    |
           Q_{ij} = | 1           for i -> j transversion substitution
                    |
                    | 0           for i -> j two substitutions
    
    The SH model basically is a F81 model (Felsenstein, 1981) for single substitutions in doublets.

    Models of Rate Heterogeneity

    Rate heterogeneity is taken into account by considering invariable sites and by introducing Gamma-distributed rates for the variable sites.

    For invariable sites the parameter theta ("Fraction of invariable sites") determines the probability of a given site to be invariable. If a site is invariable the probability for the constant site patterns is pi_i, the frequency of each nucleotide (amino acid).

    The rates r for variable sites are determined by a discrete Gamma distribution that approximates the continuous Gamma distribution

                        alpha     alpha-1
                   alpha         r
           g(r) = ------------------------
                    alpha r
                   e        Gamma(alpha)
    
    where the parameter alpha ranges from alpha = infinity (no rate heterogeneity) to alpha < 1 (strong heterogeneity). The mean expectation of r under this distribution is 1.

    A mixed model of rate heterogeneity (Gamma plus invariable sites) is also available. In this case the total rate heterogeneity rho (as defined by Gu et al., 1995) computes as rho = (1+theta alpha)/(1+alpha).

    Available Options

    All options can be selected and changed after TREE-PUZZLE has read the input file. Depending on the input files options are preselected and displayed in a menu ("PHYLIP look and feel"):
    GENERAL OPTIONS
     b                     Type of analysis?  Tree reconstruction
     k                Tree search procedure?  Quartet puzzling
     v       Approximate quartet likelihood?  No
     u             List unresolved quartets?  No
     n             Number of puzzling steps?  1000
     j             List puzzling step trees?  No
     o                  Display as outgroup?  Gibbon
     z     Compute clocklike branch lengths?  No
     e                  Parameter estimates?  Approximate (faster)
     x            Parameter estimation uses?  Neighbor-joining tree
    SUBSTITUTION PROCESS
     d          Type of sequence input data?  Nucleotides
     m                Model of substitution?  HKY (Hasegawa et al. 1985)
     t    Transition/transversion parameter?  Estimate from data set
     f               Nucleotide frequencies?  Estimate from data set
    RATE HETEROGENEITY
     w          Model of rate heterogeneity?  Uniform rate
    
    Quit [q], confirm [y], or change [menu] settings:
    
    By typing the letters shown in the menu you can either change settings or enter new parameters. Some options (for example "m" and "w") can be invoked several times to switch through a number of different settings. The parameters of the models of sequence evolution can be estimated from the data by a variety of procedures based on maximum likelihood. The analysis is started by typing "y" at the input prompt. To quit the program type "q".

    The following table lists in alphabetical order all TREE-PUZZLE options. Be aware, however, not all of them are accessible at the same time:
    Option
    Description
    a
    Gamma rate heterogeneity parameter alpha. This is the so-called shape parameter of the Gamma distribution.
    b
    Type of analysis. Allows to switch between tree reconstruction by maximum likelihood and likelihood mapping.
    c
    Number of rate categories (4-16) for the discrete Gamma distribution (rate heterogeneity).
    d
    Data type. Specifies whether nucleotide, amino acid sequences, or two-state data serve as input. The default is automatically set by inspection of the input data. After TREE-PUZZLE has selected an appropriate data type (marked by 'Auto:') the 'd'-option changes the type in the following order: selected type -> Nucleotides -> Amino acids -> automatically selected type.
    e
    Approximation option. Determines whether an approximate or the exact likelihood function is used to estimate parameters of the models of sequence evolution. The approximate likelihood function is in most cases sufficient and is faster.
    f
    Base frequencies. The maximum likelihood calculation needs the frequency of each nucleotide (amino acid, doublet) as input. TREE-PUZZLE estimates these values from the sequence input data. This option allows specification of other values.
    g
    Group sequences in clusters. Allows to define clusters of sequences as needed for the likelihood mapping analysis. Only available when likelihood mapping is selected ("b" option).
    h
    Codon positions or definition of doublets. For nucleotide data only. If the TN or HKY model of substitution is used and the number of sites in the alignment is a multiple of three the analysis can be restricted to each of the three codon positions and to the 1st and 2nd positions. If the SH model is used this options allows to specify that the 1st and 2nd codon positions in the alignment define a doublet.
    i
    Fraction of invariable sites. Probability of a site to be invariable. This parameter can be estimated from the data by TREE-PUZZLE (only if the approximation option for the likelihood function is turned off).
    j
    List puzzling steps trees. Writes all intermediate trees (puzzling step trees) used to compute the quartet puzzling tree into a file, either as a list of topologies ordered by number of occurrences (*.ptorder), or as list about the chronological occurrence of the topologies (*.pstep), or both.
    k
    Tree search. Determines how the overall tree is obtained. The topology is either computed with the quartet puzzling algorithm or is defined by the user. Maximum likelihood branch lengths will be computed for this tree. Alternatively, a maximum likelihood distance matrix only can also be computed (no overall tree).
    l
    Location of root. Only for computation of clock-like maximum likelihood branch lengths. Allows to specify the branch where the root should be placed in an unrooted tree topology. For example, in the tree (a,b,(c,d)) l = 1 places the root at the branch leading to sequence a whereas l=5 places the root at the internal branch.
    m
    Model of substitution. The following models are implemented for nucleotides: the Tamura-Nei (TN) model, the Hasegawa et al. (HKY) model, and the Schoeniger & von Haeseler (SH) model. The SH model describes the evolution of pairs of dependent nucleotides (pairs are the first and the second nucleotide, the third and the fourth nucleotide and so on). It allows for specification of the transition-transversion ratio. The original model (Schoeniger & von Haeseler, 1994) is obtained by setting the transition-transversion parameter to 0.5. The Jukes-Cantor (1969), the Felsenstein (1981), and the Kimura (1980) model are all special cases of the HKY model.
    For amino acid sequence data the Dayhoff et al. (Dayhoff) model, the Jones et al. (JTT) model, the Adachi and Hasegawa (mtREV24) model, the Henikoff and Henikoff (BLOSUM 62), the Mueller and Vingron (VT), and the Whelan and Goldman (WAG) substitution model are implemented in TREE-PUZZLE. The mtREV24 model describes the evolution of amino acids encoded on mtDNA, and BLOSUM 62 is for distantly related amino acid sequences, as well as the VT model. After TREE-PUZZLE has selected an appropriate amino acid substitution model (marked by 'Auto:') the 'm'-option changes the model in the following order: selected model -> Dayhoff -> JTT -> mtREV24 -> BLOSUM62 -> VT -> WAG -> automatically selected model
    For more information please read the section in this manual about models of sequence evolution. See also option "w" (model of rate heterogeneity).
    n
    If tree reconstruction is selected: number of puzzling steps. Parameter of the quartet puzzling tree search. Generally, the more sequences are used the more puzzling steps are advised. The default value varies depending on the number of sequences (at least 1000).
    If likelihood mapping is selected: number of quartets in a likelihood mapping analysis. Equal to the number of dots in the likelihood mapping diagram. By default 10000 dots/quartets are assumed. To use all possible quartets in clustered likelihood mapping you have to specify a value of n=0.
    o
    Outgroup. For displaying purposes of the unrooted quartet puzzling tree only. The default outgroup is the first sequence of the data set.
    p
    Constrain the TN model to the F84 model. This option is only available for the Tamura-Nei model. With this option the expected (!) transition-transversion ratio for the F84 model have to be entered and TREE-PUZZLE computes the corresponding parameters of the TN model (this depends on base frequencies of the data). This allows to compare the results of TREE-PUZZLE and the PHYLIP maximum likelihood programs which use the F84 model.
    q
    Quits analysis.
    r
    Y/R transition parameter. This option is only available for the TN model. This parameter is the ratio of the rates for pyrimidine transitions and purine transitions. You do not need to specify this parameter as TREE-PUZZLE estimates it from the data. For precise definition please read the section in this manual about models of sequence evolution.
    s
    Symmetrize doublet frequencies. This option is only available for the SH model. With this option the doublet frequencies are symmetrized. For example, the frequencies of "AT" and "TA" are then set to the average of both frequencies.
    t
    Transition/transversion parameter. For nucleotide data only. You do not need to specify this parameter as TREE-PUZZLE estimates it from the data. The precise definition of this parameter is given in the section on models of sequence evolution in this manual.
    u
    Show unresolved quartets. During the quartet puzzling tree search TREE-PUZZLE counts the number of unresolved quartet trees. An unresolved quartet is a quartet where the maximum likelihood values for each of the three possible quartet topologies are so similar that it is not possible to prefer one of them (Strimmer, Goldman, and von Haeseler, 1997). If this option is selected you will get a detailed list of all starlike quartets. Note, for some data sets there may be a lot of unresolved quartets. In this case a list of all unresolved quartets is probably not very useful and also needs a lot of disk space.
    v
    Approximate quartet likelihood. For the quartet puzzling tree search only. Only for very small data sets it is necessary to compute an exact maximum likelihood. For larger data sets this option should always be turned on.
    w
    Model of rate heterogeneity. TREE-PUZZLE provides several different models of rate heterogeneity: uniform rate over all sites (rate homogeneity), Gamma distributed rates, two rates (1 invariable + 1 variable), and a mixed model (1 invariable rate + Gamma distributed rates). All necessary parameters can be estimated by TREE-PUZZLE. Note that whenever invariable sites are taken into account the parameter estimation will invoke the "e" option to use an exact likelihood function. For more detailed information please read the section in this manual about models of sequence evolution. See also option "m" (model of substitution).
    x
    Selects the methods used in the estimation of the model parameters. Neighbor-joining tree means that a NJ tree is used to estimate the parameters. Quartet sampling means that a number of random sets of four sequences are selected to estimate parameters.
    y
    Starts analysis.
    z
    Computation of clock-like maximum likelihood branch lengths. This option also invokes the likelihood ratio clock test.

    Other Features

    For nucleotide data TREE-PUZZLE computes the expected transition/transversion ratio and the expected pyrimidine transition/purine transition ratio corresponding to the selected model. Base frequencies play an important role in the calculation of both numbers.

    TREE-PUZZLE also tests with a 5% level chi-square-test whether the base composition of each sequence is identical to the average base composition of the whole alignment. All sequences with deviating composition are listed in the TREE-PUZZLE report file. It is desired that no sequence (possibly except for the outgroup) has a deviating base composition. Otherwise a basic assumption implicit in the maximum likelihood calculation is violated.

    A hidden feature of TREE-PUZZLE (since version 2.5) is the employment of a weighting scheme of quartets (Strimmer, Goldman, and von Haeseler, 1997) in the quartet puzzling tree search.

    TREE-PUZZLE also computes the average distance between all pairs of sequences (maximum likelihood distances). The average distances can be viewed as a rough measure for the overall sequence divergence.

    If more than one input tree is provided TREE-PUZZLE uses the Kishino-Hasegawa test (1989) to check which trees are significantly worse than the best tree.

    If clock-like maximum-likelihood branch lengths are computed TREE-PUZZLE checks with the help of a likelihood-ratio test (Felsenstein, 1988) whether the data set is clock-like.

    TREE-PUZZLE also detects sequences that occur more than once in the data and that therefore can be removed from the data set to speed up analysis.

    If rate heterogeneity is taken into account in the analysis TREE-PUZZLE also computes the most probable assignment of rate categories to sequence positions, according Felsenstein and Churchill (1996).

    Interpretation and Hints

    Quartet Puzzling Support Values

    The quartet puzzling (QP) tree search estimates support values for each internal branch. They can be interpreted in much the same way as bootstrap values (though they should not be confused with them). Branches showing a QP reliability from 90% to 100% can be considered very strongly supported. Branches with lower reliability (> 70%) can in principle be also trusted but in this case it is advisable to check how well the respective internal branch does in comparison to other branches in the tree (i.e. check relative reliability). If you are interested in a branch with a low confidence it is also important to check the alternative groupings that are not included in the QP tree (they are listed in the TREE-PUZZLE report file in *.** format). There should be a substantial gap between the lowest reliability value of the QP tree and the most frequent grouping that is not included in the QP tree.

    Percentage of Unresolved Quartets

    TREE-PUZZLE computes the number and the percentage of completely unresolved maximum likelihood quartets. An unresolved quartet is a quartet where the maximum likelihood values for each of the three possible quartet topologies are so similar that it is not possible to prefer one of them (Strimmer, Goldman, and von Haeseler, 1997). The percentage of the unresolved quartets among all possible quartets is an indicator of the suitability of the data for phylogenetic analysis. A high percentage usually results in a highly multifurcating quartet puzzling tree. If you only have a few unresolved quartets we recommend to invoke option "u" to get a list of all these quartets. In a likelihood mapping analysis the percentage of completely unresolved quartets is shown in the central region of the triangle diagram.

    Automatic Parameter Estimation

    TREE-PUZZLE estimates both the parameters of the models of substitution (TN, HKY) and of the model of rate variation (Gamma distribution, fraction of invariable sites) without prior knowledge of an overall tree by a number of different strategies based on maximum likelihood. For all estimated parameters a corresponding standard error (S.E.) is computed. If you have good arguments to choose a different set of parameters than the values obtained by TREE-PUZZLE don't hesitate to use them. If sequences are extremely similar it is very hard for every algorithm to extract information about the model of substitution from the data set. Also, be careful if the estimated parameter values are very close to the internal upper and lower bounds:
    Parameter (Symbol) Minimal Value Maximal Value
    Transition/transversion parameter (t) 0.20 30.00
    Y/R transition parameter (gamma) 0.10 6.00
    Fraction of invariable sites (theta) 0.00 0.99
    Gamma rate heterogeneity parameter (alpha) 0.01 99

    Likelihood Mapping

    Likelihood mapping (Strimmer and von Haeseler, 1997) is a method to analyzethe support for internal branches in a tree without having to compute an overall tree. Every internal branch in an a completely resolved tree defines up to four clusters of sequences. Sometimes only the relationship of these groups are of interest and not details of the structure of the clusters themselves. Then a likelihood mapping analysis is sufficient. The corresponding likelihood mapping triangle diagrams (as contained in various output files generated by TREE-PUZZLE) will illucidate the possible relationships in detail.

    Batch Mode

    Running TREE-PUZZLE from a Unix batch file is straightforward despite the lack of command switches. For example, to run TREE-PUZZLE with a the transition/transversion parameter equal to 10 the following lines in a batch file are sufficient:
    puzzle << !
    t
    10
    y
    !
    
    All other parameters can also be accessed the same way.

    Limits and Error Messages

    TREE-PUZZLE has a built-in limit to allow data sets only up to 257 sequences in order to avoid overflow of internal integer variables. At least 32767 sites should be possible depending on the compiler used. Computation time will be the largest constraint even if sufficient computer memory is available. If rate heterogeneity is taken into account every additional category slows down the overall computation by the amount of time needed for one complete run assuming rate homogeneity.

    If problems are encountered TREE-PUZZLE terminates program execution and returns a plain text error message. Depending on the severity errors can be classified into three groups:
    "HALT " errors: Very severe. You should never ever see one of these messages. If so, please contact the developers!
    "Unable to proceed" errors: Harmless but annoying. Mostly memory errors (not enough RAM) or problems with the format of the input files.
    Other errors: Completely uncritical. Occur mostly when options of TREE-PUZZLE are being set.
    A standard machine (1996 Unix workstation) with 32 to 64 MB RAM TREE-PUZZLE can easily do maximum likelihood tree searches including estimation of support values for data sets with 50-100 sequences. As likelihood mapping is not memory consuming and computationally quite fast it can be applied to large data sets as well.

    Are Quartets Reliable?

    Quartets may be intrinsically one of the most difficult phylogenies to resolve accurately (cf. Hillis, 1996). It has been asked whether this is a problem for quartet puzzling because it works with quartets.

    However, this is not true. According to Hillis' findings (Hillis, 1996), quartets can be hard, but extra information helps. That is, if all you have are data on species (A, B, C, D) then it might be relatively difficult to find the correct tree for them. But if you have additional data (species E, F, G, ...) and try to find a tree for all the species, then that part of the tree relating (A, B, C, D) will more likely be correct than if you had just the data for (A, B, C, D). In Hillis' big 'model' tree, there are many examples of subsets of 4 species which in themselves might be hard to resolve correctly, but which are correctly resolved thanks to the (...large amount of...) additional data. TREE-PUZZLE (quartet puzzling) also gains advantage from extra data in the same way. It's 'understanding' or resolution of the quartet (A, B, C, D) might be incorrect, but the information on the relationships of (A, B, C, D) implicit in its treatment of (A, B, C, E), (A, B, E, D), (A, E, C, D), (E, B, C, D), (A, B, C, F), (A, B, F, D), (A, F, C, D), (F, B, C, D), (A, B, C, G), etc. etc. should overcome this problem.

    The facts about how well TREE-PUZZLE actually works have been investigated in the Strimmer and von Haeseler (1996) and Strimmer, Goldman, and von Haeseler (1997) papers. Their results cannot be altered by Hillis' findings. Considered as a heuristic search for maximum likelihood trees, quartet puzzling works very well.

    (This section follows N. Goldman, personal communication).

    Other Programs

    There are a number of other very useful and widespread programs to reconstruct phylogenetic relationships and to analyse molecular sequence data that are available free of charge. Here are the URLS of some web pages that provide links to most of them (including the PHYLIP package and the MOLPHY and PAML maximum likelihood programs):
    Joe Felsenstein's list of programs (well-organized and pretty exhaustive):
    http://evolution.genetics.washington.edu/phylip/software.html
    "Tree of Life" software page:
    http://phylogeny.arizona.edu/tree/programs/programs.html
    European Bioinformatics Institute:
    http://www.ebi.ac.uk/biocat/biocat.html

    Acknowledgements

    The maximum likelihood kernel of TREE-PUZZLE is an offspring of the program NucML/ProtML version 2.2 by Jun Adachi and Masami Hasegawa (ftp://sunmh.ism.ac.jp/pub/molphy). We thank them for generously allowing us to use the source code of their program. We would also like to thank the European Bioinformatics Institute (EBI), the Institut Pasteur, and the University of Indiana (i.e. Don Gilbert) for kindly distributing the TREE-PUZZLE program. We thank Stephane Bortzmeyer for his with debugging of floating point exception errors. We also thank Peter Foster for pointing out the inconsistency in the invariable site models in respect to other programs. Finally we thank the Deutsche Forschungsgemeinschaft (VI 160/3-1 and Ha 1628/4-1) and the Max-Planck-Society for financial support.

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    Kimura, M. 1980. A simple method for estimating evolutionary rates of base substitutions through comparative studies of nucleotide sequences. J. Mol. Evol. 16: 111-120.

    Kishino, H., and M. Hasegawa. 1989. Evaluation of the maximum likelihood estimate of the evolutionary tree topologies from DNA sequence data, and the branching order in Hominoidea. J. Mol. Evol. 29: 170-179.

    Mueller, T., and M. Vingron. 2000. Modeling Amino Acid Replacement. J. Comp. Biol., to appear (preprint of the article)

    Saitou, N., and M. Nei. 1987. The neighbor-joining method: a new method for reconstructing phylogenetic trees. Mol. Biol. Evol. 4: 1406-425.

    Schoeniger, M., and A. von Haeseler. 1994. A stochastic model for the evolution of autocorrelated DNA sequences. Mol. Phyl. Evol. 3: 240-247.

    Snir, M., S. Otto, S. Huss-Lederman, D. Walker, and J. Dongarra. 1998. MPI - The Complete Reference: Volume 1, The MPI Core. 2nd Edition, The MIT Press, Cambridge, MA.

    Strimmer, K., and A. von Haeseler. 1996. Quartet puzzling: a quartet maximum likelihood method for reconstructing tree topologies. Mol. Biol. Evol. 13: 964-969.

    Strimmer, K., N. Goldman, and A. von Haeseler. 1997. Bayesian probabilities and quartet puzzling. Mol. Biol. Evol. 14: 210-211.

    Strimmer, K., and A. von Haeseler. 1997. Likelihood-mapping: a simple method to visualize phylogenetic content of a sequence alignment. PNAS (USA). 94:6815-6819.

    Tamura, K., and M. Nei. 1993. Estimation of the number of nucleotide substitutions in the control region of mitochondrial DNA in humans and chimpanzees. Mol. Biol. Evol. 10: 512-526.

    Tamura K. 1994. Model selection in the estimation of the number of nucleotide substitutions. Mol. Biol. Evol. 11: 154-157.

    Thompson, J. D., D. G. Higgins, and T. J. Gibson. 1994. CLUSTAL W: Improving the sensitivity of progressive multiple sequence alignment through sequence weighting, positions-specific gap penalties and weight matrix choice. Nucl. Acids Res. 22: 4673-4680.

    Whelan, S. and Goldman, N. 2000. A new empirical model of amino acid evolution. Manuscript in prep.

    Yang, Z. 1994. Maximum likelihood phylogenetic estimation from DNA sequences with variable rates over sites: approximate methods. J. Mol. Evol. 39:306-314.

    Known Bugs

    On Alpha based computers sometimes floating point exception errors occur. Some of those result on a bug in the malloc routine in the system routines of the Compaq operating system. We recomend to use the GNU cc compiler (http://egcs.gnu.org), which does not use the system malloc routine. For other occurrances of the floating point exception we need datasets and information about the operating system to reproduce and debug those errors.

    Version History

    The TREE-PUZZLE program has first been distributed in 1995 under the name PUZZLE. Since then it has been continually improved. Here is a list of the most important changes.
    5.0 Puzzle tree reconstruction part parallelized using the MPI standard (Message Passing Interface).
    Possibility added to give input file and user tree file at the command line. Output files renamed to the form PREFIX.EXTENSION, where PREFIX is the input file name or, if used, the user tree file name. The EXTENSION could be one of the following: puzzle (PUZZLE report), tree (tree file), dist (ML distance file), eps (likelihood mapping output in eps format), qlist (bad quartets), qstep (puzzling step tree IDs as they occur in the analysis), or qtorder (sorted unique list of puzzling step trees).
    The likelihood value is added to the treefile as a leading comment ("[ lh=x.xxx ]") to the tree string.
    VT (variable time) matrix (Mueller and Vingron, 2000) and WAG matrix (Whelan and Goldman, 2000) added to the AA substitution models.
    The Data type and AA-model options in the menu now show the automatically set type/model first. These can now be changed using 'd' or 'm' key in an order independent from the type/model selected. This makes it possible to select a desired AA substitution model or data type by piping letters to the standard input without knowing PUZZLE's preselection.
    Parameters are written to file when estimated before evaluation of the quartets.
    The inconsistency to respect to other programs in handling invariable sites has been fixed.
    Some minor bug fixes (e.g. the clockbug and another in the optimization routine have been fixed).
    4.0.2 Update to provide precompiled Windows 95/98/NT executables. In addition: Internal rearrangement of rate matrices. Improved BLOSUM 62 matrix. Endless input loop for input files restricted to 10 trials. Source code clean up to remove compile time warnings. Explicit quit option in menu. Changes in NJ tree code. Updates of documentation (address changes, correction of errors).
    4.0.1 Maintenance release. Correction of mtREV matrix. Fix of the "intree bug". Removal of stringent runtime-compatibility check to allow out-of-the-box compile on alpha. More accurate gamma distribution allowing 16 instead of 8 categories and ensuring a better alpha > 1.0. Update of documentation (mainly address changes). More Unix-like file layout, and change of license to GPL.
    4.0 Executables for Windows 95/NT and OS/2 instead of MS-DOS. Computation of clock-like branch lengths (also for amino acids and for non-binary trees). Automatic likelihood ratio clock test. Model for two-state sequences data (0,1) included. Display of most probable assignment of rates to sites. Identification of groups of identical sequences. Possibility to read multiple input trees. Kishino-Hasegawa test to check whether trees are significantly different. BLOSUM 62 model of amino acid substitution (Henikoff-Henikoff, 1992). Use of parameter alpha instead of eta = 1/(1+alpha) (for rate heterogeneity). Improvements to user interface. SH model can be applied to 1st and 2nd codon positions. Automatic check for compatible compiler settings. Workaround for severe runtime problem when the gcc compiler was used.
    3.1 Much improved user interface to rate heterogeneity (less confusing menu, rearranged outfile, additional out-of-range check). Possibility to read rooted input trees (automatic removal of basal bifurcation). Computation of average distance between all pairs of sequences. Fix of a bug that caused PUZZLE 3.0 to crash on some systems (DEC Alpha). Cosmetic changes in program and documentation.
    3.0 Rate heterogeneity included in all models of substitution (Gamma distribution plus invariable sites). Likelihood mapping analysis with Postscript output added. Much more sophisticated maximum likelihood parameter estimation for all model parameters including those of rate heterogeneity. Codon positions selectable. Update to mtREV24. New icon. Less verbose runtime messages. HTML documentation. Better internal error classification. More information in outfile (number of constant positions etc.).
    2.5.1 Fix of a bug (present only in version 2.5) related to computation of the variance of the maximum likelihood branch lengths that caused occasional crashes of PUZZLE on some systems when applied to data sets containing many very similar sequences. Drop of support for non-FPU Macintosh version. Corrections in manual.
    2.5 Improved QP algorithm (Strimmer, Goldman, and von Haeseler, 1997). Bug fixes in ML engine, computation of ML distances and ML branch lengths, optional input of a user tree, F84 model added, estimation of all TN model parameters and corresponding standard errors, CLUSTAL W treefile convention adopted to allow to show branch lengths and QP support values simultaneously, display of unresolved quartets, update of mtREV matrix, source code more compatible with some almost-ANSI compilers, more safety checks in the code.
    2.4 Automatic data type recognition, chi-square-test on base composition, automatic selection of best amino acid model, estimation of transition-transversion parameter, ASCII plot of quartet puzzling tree into the outfile.
    2.3 More models, many usability improvements, built-in consensus tree routines, more supported systems, bug fixes, no more dependencies of input order. First EBI distributed version.
    2.2 Optimized internal data structure requiring much less computer memory. Bug fixes.
    2.1 Bug fixes concerning algorithm and transition/transversion parameter.
    2.0 Complete revision merging the maximum likelihood and the quartet puzzling routines into one user friendly program. First electronic distribution.
    1.0 First public release, presented at the 1995 phylogenetic workshop (15-17 June 1995) at the University of Bielefeld, Germany.
    ./arbsrc_9167/GDE/TREEPUZZLE/doc/ppuzzle.gif0000644012664100000130000000030511213220011020171 0ustar arb_buildcodersGIF87a ð™ÿ, ¤„©›áž4ÒÅ(ÊyëÃ5šµMÑÕ˜“Ş˅ݺŠü¥ô«âX4>jFéÙ’%¤–{í@Oise%ÙfÜa®{„Å‚Ù1Ñëü¢iOñ¨mfÈçôº ï­0Qèyˆä“r…RrÕv$˜ØÒU(¸Ðȃ¸óC$ôWä¡xHÒò t8ÕGIÕèÆÃ·…æšY&fV›†‹4f º wŒP;./arbsrc_9167/GDE/TREEPUZZLE/doc/puzzle.gif0000644012664100000130000000025511213220011020015 0ustar arb_buildcodersGIF87a ‘™ÿÈÈÈÿ3f, †TŽ©Ëg ã´Zz®®ißì}Ædsi€QjrPØŽµõ†¬Ʊkã©d¸!„Õ$¶äÒÈþ ´bÒÁMŽ«¡žÅ•bÛ=–tÍu9»¿Õ;‘(–Ú±oküH¨Ö‡w¨t·È'cø4hö8IxÖ˜ˆI¦ÉõÉð%P;./arbsrc_9167/GDE/TREEPUZZLE/Makefile0000644012664100000130000000275211213220011016674 0ustar arb_buildcoders .SUFFIXES: .o .c .depend OBJECT = \ src/gamma.o \ src/ml1.o \ src/ml2.o \ src/ml3.o \ src/model1.o \ src/model2.o \ src/puzzle1.o \ src/puzzle2.o \ src/sched.o \ src/util.o \ # src/ppuzzle.o \ BINARY=$(ARBHOME)/bin/puzzle PUZZ_CFLAGS = $(cflags) -DPACKAGE=\"tree-puzzle\" -DVERSION=\"5.0\" -DHAVE_LIBM=1 -DSTDC_HEADERS=1 -DHAVE_LIMITS_H=1 -Isrc $(BINARY): $(OBJECT) $(ACC) $(PUZZ_CFLAGS) -o $@ $(OBJECT) -lm src/%.o : src/%.c $(ACC) $(PUZZ_CFLAGS) -c -o $@ $< $(AINCLUDES) clean: rm -f $(OBJECT) $(BINARY) DEPENDS = $(OBJECT:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl src/gamma.o: src/gamma.h src/gamma.o: src/util.h src/ml1.o: src/ml.h src/ml1.o: src/util.h src/ml2.o: src/ml.h src/ml2.o: src/util.h src/ml3.o: src/gamma.h src/ml3.o: src/ml.h src/ml3.o: src/util.h src/model1.o: src/ml.h src/model1.o: src/util.h src/model2.o: src/ml.h src/model2.o: src/util.h src/puzzle1.o: src/gamma.h src/puzzle1.o: src/ml.h src/puzzle1.o: src/puzzle.h src/puzzle1.o: src/util.h src/puzzle2.o: src/ml.h src/puzzle2.o: src/puzzle.h src/puzzle2.o: src/util.h src/sched.o: src/sched.h src/sched.o: src/util.h src/util.o: src/util.h ./arbsrc_9167/GDE/TREEPUZZLE/README0000644012664100000130000000266011213220011016112 0ustar arb_buildcodersTREE-PUZZLE 5.0 TREE-PUZZLE is a computer program to reconstruct phylogenetic trees from molecular sequence data by maximum likelihood. It implements a fast tree search algorithm, quartet puzzling, that allows analysis of large data sets and automatically assigns estimations of support to each internal branch. TREE-PUZZLE also computes pairwise maximum likelihood distances as well as branch lengths for user specified trees. Branch lengths can also be calculated under the clock-assumption. In addition, TREE-PUZZLE offers a novel method, likelihood mapping, to investigate the support of a hypothesized internal branch without computing an overall tree and to visualize the phylogenetic content of a sequence alignment. TREE-PUZZLE also conducts a number of statistical tests on the data set (chi-square test for homogeneity of base composition, likelihood ratio to test the clock hypothesis, Kishino-Hasegawa test). The models of substitution provided by TREE-PUZZLE are TN, HKY, F84, SH for nucleotides, Dayhoff, JTT, mtREV24, BLOSUM 62, VT, WAG for amino acids, and F81 for two-state data. Rate heterogeneity is modelled by a discrete Gamma distribution and by allowing invariable sites. The corresponding parameters can be inferred from the data set. INSTALLATION For compile an intall instructions see INSTALL and doc/manual.html In most cases on UNIX machines the following should work: sh ./configure make make intall ./arbsrc_9167/GDE/TREEPUZZLE/src/gamma.c0000644012664100000130000002154711213220011017254 0ustar arb_buildcoders/* * gamma.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #include #include "util.h" #include "gamma.h" /* private prototypes */ static double IncompleteGamma (double x, double alpha, double ln_gamma_alpha); static double PointNormal (double prob); static double PointChi2 (double prob, double v); /* Gamma density function */ double densityGamma (double x, double shape) { return pow (shape, shape) * pow (x, shape-1) / exp (shape*x + LnGamma(shape)); } /* Gamma cdf */ double cdfGamma (double x, double shape) { double result; result = IncompleteGamma (shape*x, shape, LnGamma(shape)); return result; } /* Gamma inverse cdf */ double icdfGamma (double y, double shape) { double result; result = PointChi2 (y, 2.0*shape)/(2.0*shape); /* to avoid -1.0 */ if (result < 0.0) { result = 0.0; } return result; } /* Gamma n-th moment */ double momentGamma (int n, double shape) { int i; double tmp = 1.0; for (i = 1; i < n; i++) { tmp *= (shape + i)/shape; } return tmp; } /* The following code comes from tools.c in Yang's PAML package */ double LnGamma (double alpha) { /* returns ln(gamma(alpha)) for alpha>0, accurate to 10 decimal places. Stirling's formula is used for the central polynomial part of the procedure. Pike MC & Hill ID (1966) Algorithm 291: Logarithm of the gamma function. Communications of the Association for Computing Machinery, 9:684 */ double x=alpha, f=0, z; if (x<7) { f=1; z=x-1; while (++z<7) f*=z; x=z; f=-log(f); } z = 1/(x*x); return f + (x-0.5)*log(x) - x + .918938533204673 + (((-.000595238095238*z+.000793650793651)*z-.002777777777778)*z +.083333333333333)/x; } static double IncompleteGamma (double x, double alpha, double ln_gamma_alpha) { /* returns the incomplete gamma ratio I(x,alpha) where x is the upper limit of the integration and alpha is the shape parameter. returns (-1) if in error (1) series expansion if (alpha>x || x<=1) (2) continued fraction otherwise RATNEST FORTRAN by Bhattacharjee GP (1970) The incomplete gamma integral. Applied Statistics, 19: 285-287 (AS32) */ int i; double p=alpha, g=ln_gamma_alpha; double accurate=1e-8, overflow=1e30; double factor, gin=0, rn=0, a=0,b=0,an=0,dif=0, term=0, pn[6]; if (x==0) return (0); if (x<0 || p<=0) return (-1); factor=exp(p*log(x)-x-g); if (x>1 && x>=p) goto l30; /* (1) series expansion */ gin=1; term=1; rn=p; l20: rn++; term*=x/rn; gin+=term; if (term > accurate) goto l20; gin*=factor/p; goto l50; l30: /* (2) continued fraction */ a=1-p; b=a+x+1; term=0; pn[0]=1; pn[1]=x; pn[2]=x+1; pn[3]=x*b; gin=pn[2]/pn[3]; l32: a++; b+=2; term++; an=a*term; for (i=0; i<2; i++) pn[i+4]=b*pn[i+2]-an*pn[i]; if (pn[5] == 0) goto l35; rn=pn[4]/pn[5]; dif=fabs(gin-rn); if (dif>accurate) goto l34; if (dif<=accurate*rn) goto l42; l34: gin=rn; l35: for (i=0; i<4; i++) pn[i]=pn[i+2]; if (fabs(pn[4]) < overflow) goto l32; for (i=0; i<4; i++) pn[i]/=overflow; goto l32; l42: gin=1-factor*gin; l50: return (gin); } /* functions concerning the CDF and percentage points of the gamma and Chi2 distribution */ static double PointNormal (double prob) { /* returns z so that Prob{x.999998 || v<=0) return (-1); g = LnGamma (v/2); xx=v/2; c=xx-1; if (v >= -1.24*log(p)) goto l1; ch=pow((p*xx*exp(g+xx*aa)), 1/xx); if (ch-e<0) return (ch); goto l4; l1: if (v>.32) goto l3; ch=0.4; a=log(1-p); l2: q=ch; p1=1+ch*(4.67+ch); p2=ch*(6.73+ch*(6.66+ch)); t=-0.5+(4.67+2*ch)/p1 - (6.73+ch*(13.32+3*ch))/p2; ch-=(1-exp(a+g+.5*ch+c*aa)*p2/p1)/t; if (fabs(q/ch-1)-.01 <= 0) goto l4; else goto l2; l3: x=PointNormal (p); p1=0.222222/v; ch=v*pow((x*sqrt(p1)+1-p1), 3.0); if (ch>2.2*v+6) ch=-2*(log(1-p)-c*log(.5*ch)+g); l4: do { q=ch; p1=.5*ch; if ((t=IncompleteGamma (p1, xx, g))<0) { return (-1); } p2=p-t; t=p2*exp(xx*aa+g+p1-c*log(ch)); b=t/ch; a=0.5*t-b*c; s1=(210+a*(140+a*(105+a*(84+a*(70+60*a))))) / 420; s2=(420+a*(735+a*(966+a*(1141+1278*a))))/2520; s3=(210+a*(462+a*(707+932*a)))/2520; s4=(252+a*(672+1182*a)+c*(294+a*(889+1740*a)))/5040; s5=(84+264*a+c*(175+606*a))/2520; s6=(120+c*(346+127*c))/5040; ch+=t*(1+0.5*t*s1-b*c*(s1-b*(s2-b*(s3-b*(s4-b*(s5-b*s6)))))); } while (fabs(q/ch-1) > e); return (ch); } /* Incomplete Gamma function Q(a,x) - this is a cleanroom implementation of NRs gammq(a,x) */ double IncompleteGammaQ (double a, double x) { return 1.0-IncompleteGamma (x, a, LnGamma(a)); } /* probability that the observed chi-square exceeds chi2 even if model is correct */ double chi2prob (int deg, double chi2) { return IncompleteGammaQ (0.5*deg, 0.5*chi2); } /* chi square test ef expected frequencies (sum up to 1 !!) of observed frequencies (sum up to the number of samples) numcat number of categories returns critical significance level */ double chi2test(double *ef, int *of, int numcat, int *chi2fail) { double chi2, criticals, efn; int i, below1, below5, reducedcat; int samples; *chi2fail = FALSE; reducedcat = numcat; below1 = 0; below5 = 0; /* compute number of samples */ samples = 0; for (i = 0; i < numcat; i++) samples = samples + of[i]; /* compute chi square */ chi2 = 0; for (i = 0; i < numcat; i++) { efn = ef[i]*((double) samples); if (efn < 1.0) below1++; if (efn < 5.0) below5++; if (efn == 0.0) { reducedcat--; fprintf(stdout, "FPE error: samples=%d, ef[%d]=%f, of[%d]=%d, efn=%f, nc=%d, rc=%d\n", samples, i, ef[i], i, of[i], efn, numcat, reducedcat); fprintf(stdout, "PLEASE REPORT THIS ERROR TO DEVELOPERS !!!\n"); fflush(stdout); } else chi2 = chi2 + ((double) of[i]-efn)*((double) of[i]-efn)/efn; } /* compute significance */ criticals = chi2prob (numcat-1, chi2); /* no expected frequency category (sum up to # samples) below 1.0 */ if (below1 > 0) *chi2fail = TRUE; /* no more than 1/5 of the frequency categories below 5.0 */ if (below5 > (int) floor(samples/5.0)) *chi2fail = TRUE; return criticals; } /* chi square test ef expected frequencies (sum up to 1 !!) of observed frequencies (sum up to the number of samples) numcat number of categories returns critical significance level */ double altchi2test(double *ef, int *of, int numcat, int *chi2fail) { double chi2, criticals, efn; int i, below1, below5; int samples; *chi2fail = FALSE; below1 = 0; below5 = 0; /* compute number of samples */ samples = 0; for (i = 0; i < numcat; i++) samples = samples + of[i]; /* compute chi square */ chi2 = 0; for (i = 0; i < numcat; i++) { efn = ef[i]*((double) samples); if (efn < 1.0) below1++; if (efn < 5.0) below5++; chi2 = chi2 + ((double) of[i]-efn)*((double) of[i]-efn)/efn; } /* compute significance */ criticals = chi2prob (numcat-1, chi2); /* no expected frequency category (sum up to # samples) below 1.0 */ if (below1 > 0) *chi2fail = TRUE; /* no more than 1/5 of the frequency categories below 5.0 */ if (below5 > (int) floor(samples/5.0)) *chi2fail = TRUE; return criticals; } ./arbsrc_9167/GDE/TREEPUZZLE/src/gamma.h0000644012664100000130000000133511213220011017252 0ustar arb_buildcoders/* * gamma.h * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #ifndef _GAMMA_ #define _GAMMA_ double densityGamma (double, double); double cdfGamma (double, double); double icdfGamma (double, double); double momentGamma (int, double); double LnGamma (double); double IncompleteGammaQ (double, double); double chi2prob (int, double); double chi2test (double *, int *, int , int *); #endif /* _GAMMA_ */ ./arbsrc_9167/GDE/TREEPUZZLE/src/ml1.c0000644012664100000130000011712211213220011016656 0ustar arb_buildcoders/* * ml1.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ /******************************************************************************/ /* definitions and prototypes */ /******************************************************************************/ #define EXTERN extern /* prototypes */ #include #include #include #include #include "util.h" #include "ml.h" #define STDOUT stdout #ifndef PARALLEL /* because printf() runs significantly faster */ /* than fprintf(stdout) on an Apple McIntosh */ /* (HS) */ # define FPRINTF printf # define STDOUTFILE #else # define FPRINTF fprintf # define STDOUTFILE STDOUT, #endif /******************************************************************************/ /* compacting sequence data information */ /******************************************************************************/ /***************************** internal functions *****************************/ /* make all frequencies a little different */ void convfreq(dvector freqemp) { int i, j, maxi=0; double freq, maxfreq, sum; sum = 0.0; maxfreq = 0.0; for (i = 0; i < tpmradix; i++) { freq = freqemp[i]; if (freq < MINFREQ) freqemp[i] = MINFREQ; if (freq > maxfreq) { maxfreq = freq; maxi = i; } sum += freqemp[i]; } freqemp[maxi] += 1.0 - sum; for (i = 0; i < tpmradix - 1; i++) { for (j = i + 1; j < tpmradix; j++) { if (freqemp[i] == freqemp[j]) { freqemp[i] += MINFDIFF/2.0; freqemp[j] -= MINFDIFF/2.0; } } } } /* sort site patters of original input data */ void a_radixsort(cmatrix seqchar, ivector ali, int maxspc, int maxsite, int *numptrn) { int i, j, k, l, n, pass; int *awork; int *count; awork = new_ivector(maxsite); count = new_ivector(tpmradix+1); for (i = 0; i < maxsite; i++) ali[i] = i; for (pass = maxspc - 1; pass >= 0; pass--) { for (j = 0; j < tpmradix+1; j++) count[j] = 0; for (i = 0; i < maxsite; i++) count[(int) seqchar[pass][ali[i]]]++; for (j = 1; j < tpmradix+1; j++) count[j] += count[j-1]; for (i = maxsite-1; i >= 0; i--) awork[ --count[(int) seqchar[pass][ali[i]]] ] = ali[i]; for (i = 0; i < maxsite; i++) ali[i] = awork[i]; } free_ivector(awork); free_ivector(count); n = 1; for (j = 1; j < maxsite; j++) { k = ali[j]; l = ali[j-1]; for (i = 0; i < maxspc; i++) { if (seqchar[i][l] != seqchar[i][k]) { n++; break; } } } *numptrn = n; } void condenceseq(cmatrix seqchar, ivector ali, cmatrix seqconint, ivector weight, int maxspc, int maxsite, int numptrn) { int i, j, k, n; int agree_flag; /* boolean */ n = 0; k = ali[n]; for (i = 0; i < maxspc; i++) { seqconint[i][n] = seqchar[i][k]; } weight[n] = 1; Alias[k] = 0; for (j = 1; j < maxsite; j++) { k = ali[j]; agree_flag = TRUE; for (i = 0; i < maxspc; i++) { if (seqconint[i][n] != seqchar[i][k]) { agree_flag = FALSE; break; } } if (agree_flag == FALSE) { n++; for (i = 0; i < maxspc; i++) { seqconint[i][n] = seqchar[i][k]; } weight[n] = 1; Alias[k] = n; } else { weight[n]++; Alias[k] = n; } } n++; if (numptrn != n) { /* Problem in condenceseq */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR A TO DEVELOPERS\n\n\n"); exit(1); } } void countconstantsites(cmatrix seqpat, ivector weight, int maxspc, int numptrn, int *numconst, int *numconstpat) { int character, s, i, constflag; *numconst = 0; *numconstpat = 0; for (s = 0; s < numptrn; s++) { /* check all patterns */ constpat[s] = FALSE; constflag = TRUE; character = seqpat[0][s]; for (i = 1; i < maxspc; i++) { if (seqpat[i][s] != character) { constflag = FALSE; break; } } if (character != tpmradix && constflag) { (*numconst) = (*numconst) + weight[s]; (*numconstpat)++; constpat[s] = TRUE; } } } /***************************** exported functions *****************************/ void evaluateseqs() { ivector ali; convfreq(Freqtpm); /* make all frequencies slightly different */ ali = new_ivector(Maxsite); a_radixsort(Seqchar, ali, Maxspc, Maxsite, &Numptrn); Seqpat = new_cmatrix(Maxspc, Numptrn); constpat = new_ivector(Numptrn); Weight = new_ivector(Numptrn); condenceseq(Seqchar, ali, Seqpat, Weight, Maxspc, Maxsite, Numptrn); free_ivector(ali); countconstantsites(Seqpat, Weight, Maxspc, Numptrn, &Numconst, &Numconstpat); fracconstpat = (double) Numconstpat / (double) Numptrn; fracconst = (double) Numconst / (double) Maxsite; } /******************************************************************************/ /* computation of Pij(t) */ /******************************************************************************/ /***************************** internal functions *****************************/ void elmhes(dmatrix a, ivector ordr, int n) { int m, j, i; double y, x; for (i = 0; i < n; i++) ordr[i] = 0; for (m = 2; m < n; m++) { x = 0.0; i = m; for (j = m; j <= n; j++) { if (fabs(a[j - 1][m - 2]) > fabs(x)) { x = a[j - 1][m - 2]; i = j; } } ordr[m - 1] = i; /* vector */ if (i != m) { for (j = m - 2; j < n; j++) { y = a[i - 1][j]; a[i - 1][j] = a[m - 1][j]; a[m - 1][j] = y; } for (j = 0; j < n; j++) { y = a[j][i - 1]; a[j][i - 1] = a[j][m - 1]; a[j][m - 1] = y; } } if (x != 0.0) { for (i = m; i < n; i++) { y = a[i][m - 2]; if (y != 0.0) { y /= x; a[i][m - 2] = y; for (j = m - 1; j < n; j++) a[i][j] -= y * a[m - 1][j]; for (j = 0; j < n; j++) a[j][m - 1] += y * a[j][i]; } } } } } void eltran(dmatrix a, dmatrix zz, ivector ordr, int n) { int i, j, m; for (i = 0; i < n; i++) { for (j = i + 1; j < n; j++) { zz[i][j] = 0.0; zz[j][i] = 0.0; } zz[i][i] = 1.0; } if (n <= 2) return; for (m = n - 1; m >= 2; m--) { for (i = m; i < n; i++) zz[i][m - 1] = a[i][m - 2]; i = ordr[m - 1]; if (i != m) { for (j = m - 1; j < n; j++) { zz[m - 1][j] = zz[i - 1][j]; zz[i - 1][j] = 0.0; } zz[i - 1][m - 1] = 1.0; } } } void mcdiv(double ar, double ai, double br, double bi, double *cr, double *ci) { double s, ars, ais, brs, bis; s = fabs(br) + fabs(bi); ars = ar / s; ais = ai / s; brs = br / s; bis = bi / s; s = brs * brs + bis * bis; *cr = (ars * brs + ais * bis) / s; *ci = (ais * brs - ars * bis) / s; } void hqr2(int n, int low, int hgh, dmatrix h, dmatrix zz, dvector wr, dvector wi) { int i, j, k, l=0, m, en, na, itn, its; double p=0, q=0, r=0, s=0, t, w, x=0, y, ra, sa, vi, vr, z=0, norm, tst1, tst2; int notlas; /* boolean */ norm = 0.0; k = 1; /* store isolated roots and compute matrix norm */ for (i = 0; i < n; i++) { for (j = k - 1; j < n; j++) norm += fabs(h[i][j]); k = i + 1; if (i + 1 < low || i + 1 > hgh) { wr[i] = h[i][i]; wi[i] = 0.0; } } en = hgh; t = 0.0; itn = n * 30; while (en >= low) { /* search for next eigenvalues */ its = 0; na = en - 1; while (en >= 1) { /* look for single small sub-diagonal element */ for (l = en; l > low; l--) { s = fabs(h[l - 2][l - 2]) + fabs(h[l - 1][l - 1]); if (s == 0.0) s = norm; tst1 = s; tst2 = tst1 + fabs(h[l - 1][l - 2]); if (tst2 == tst1) goto L100; } l = low; L100: x = h[en - 1][en - 1]; /* form shift */ if (l == en || l == na) break; if (itn == 0) { /* all eigenvalues have not converged */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR B TO DEVELOPERS\n\n\n"); exit(1); } y = h[na - 1][na - 1]; w = h[en - 1][na - 1] * h[na - 1][en - 1]; /* form exceptional shift */ if (its == 10 || its == 20) { t += x; for (i = low - 1; i < en; i++) h[i][i] -= x; s = fabs(h[en - 1][na - 1]) + fabs(h[na - 1][en - 3]); x = 0.75 * s; y = x; w = -0.4375 * s * s; } its++; itn--; /* look for two consecutive small sub-diagonal elements */ for (m = en - 2; m >= l; m--) { z = h[m - 1][m - 1]; r = x - z; s = y - z; p = (r * s - w) / h[m][m - 1] + h[m - 1][m]; q = h[m][m] - z - r - s; r = h[m + 1][m]; s = fabs(p) + fabs(q) + fabs(r); p /= s; q /= s; r /= s; if (m == l) break; tst1 = fabs(p) * (fabs(h[m - 2][m - 2]) + fabs(z) + fabs(h[m][m])); tst2 = tst1 + fabs(h[m - 1][m - 2]) * (fabs(q) + fabs(r)); if (tst2 == tst1) break; } for (i = m + 2; i <= en; i++) { h[i - 1][i - 3] = 0.0; if (i != m + 2) h[i - 1][i - 4] = 0.0; } for (k = m; k <= na; k++) { notlas = (k != na); if (k != m) { p = h[k - 1][k - 2]; q = h[k][k - 2]; r = 0.0; if (notlas) r = h[k + 1][k - 2]; x = fabs(p) + fabs(q) + fabs(r); if (x != 0.0) { p /= x; q /= x; r /= x; } } if (x != 0.0) { if (p < 0.0) /* sign */ s = - sqrt(p * p + q * q + r * r); else s = sqrt(p * p + q * q + r * r); if (k != m) h[k - 1][k - 2] = -s * x; else { if (l != m) h[k - 1][k - 2] = -h[k - 1][k - 2]; } p += s; x = p / s; y = q / s; z = r / s; q /= p; r /= p; if (!notlas) { for (j = k - 1; j < n; j++) { /* row modification */ p = h[k - 1][j] + q * h[k][j]; h[k - 1][j] -= p * x; h[k][j] -= p * y; } j = (en < (k + 3)) ? en : (k + 3); /* min */ for (i = 0; i < j; i++) { /* column modification */ p = x * h[i][k - 1] + y * h[i][k]; h[i][k - 1] -= p; h[i][k] -= p * q; } /* accumulate transformations */ for (i = low - 1; i < hgh; i++) { p = x * zz[i][k - 1] + y * zz[i][k]; zz[i][k - 1] -= p; zz[i][k] -= p * q; } } else { for (j = k - 1; j < n; j++) { /* row modification */ p = h[k - 1][j] + q * h[k][j] + r * h[k + 1][j]; h[k - 1][j] -= p * x; h[k][j] -= p * y; h[k + 1][j] -= p * z; } j = (en < (k + 3)) ? en : (k + 3); /* min */ for (i = 0; i < j; i++) { /* column modification */ p = x * h[i][k - 1] + y * h[i][k] + z * h[i][k + 1]; h[i][k - 1] -= p; h[i][k] -= p * q; h[i][k + 1] -= p * r; } /* accumulate transformations */ for (i = low - 1; i < hgh; i++) { p = x * zz[i][k - 1] + y * zz[i][k] + z * zz[i][k + 1]; zz[i][k - 1] -= p; zz[i][k] -= p * q; zz[i][k + 1] -= p * r; } } } } /* for k */ } /* while infinite loop */ if (l == en) { /* one root found */ h[en - 1][en - 1] = x + t; wr[en - 1] = h[en - 1][en - 1]; wi[en - 1] = 0.0; en = na; continue; } y = h[na - 1][na - 1]; w = h[en - 1][na - 1] * h[na - 1][en - 1]; p = (y - x) / 2.0; q = p * p + w; z = sqrt(fabs(q)); h[en - 1][en - 1] = x + t; x = h[en - 1][en - 1]; h[na - 1][na - 1] = y + t; if (q >= 0.0) { /* real pair */ if (p < 0.0) /* sign */ z = p - fabs(z); else z = p + fabs(z); wr[na - 1] = x + z; wr[en - 1] = wr[na - 1]; if (z != 0.0) wr[en - 1] = x - w / z; wi[na - 1] = 0.0; wi[en - 1] = 0.0; x = h[en - 1][na - 1]; s = fabs(x) + fabs(z); p = x / s; q = z / s; r = sqrt(p * p + q * q); p /= r; q /= r; for (j = na - 1; j < n; j++) { /* row modification */ z = h[na - 1][j]; h[na - 1][j] = q * z + p * h[en - 1][j]; h[en - 1][j] = q * h[en - 1][j] - p * z; } for (i = 0; i < en; i++) { /* column modification */ z = h[i][na - 1]; h[i][na - 1] = q * z + p * h[i][en - 1]; h[i][en - 1] = q * h[i][en - 1] - p * z; } /* accumulate transformations */ for (i = low - 1; i < hgh; i++) { z = zz[i][na - 1]; zz[i][na - 1] = q * z + p * zz[i][en - 1]; zz[i][en - 1] = q * zz[i][en - 1] - p * z; } } else { /* complex pair */ wr[na - 1] = x + p; wr[en - 1] = x + p; wi[na - 1] = z; wi[en - 1] = -z; } en -= 2; } /* while en >= low */ /* backsubstitute to find vectors of upper triangular form */ if (norm != 0.0) { for (en = n; en >= 1; en--) { p = wr[en - 1]; q = wi[en - 1]; na = en - 1; if (q == 0.0) {/* real vector */ m = en; h[en - 1][en - 1] = 1.0; if (na != 0) { for (i = en - 2; i >= 0; i--) { w = h[i][i] - p; r = 0.0; for (j = m - 1; j < en; j++) r += h[i][j] * h[j][en - 1]; if (wi[i] < 0.0) { z = w; s = r; } else { m = i + 1; if (wi[i] == 0.0) { t = w; if (t == 0.0) { tst1 = norm; t = tst1; do { t = 0.01 * t; tst2 = norm + t; } while (tst2 > tst1); } h[i][en - 1] = -(r / t); } else { /* solve real equations */ x = h[i][i + 1]; y = h[i + 1][i]; q = (wr[i] - p) * (wr[i] - p) + wi[i] * wi[i]; t = (x * s - z * r) / q; h[i][en - 1] = t; if (fabs(x) > fabs(z)) h[i + 1][en - 1] = (-r - w * t) / x; else h[i + 1][en - 1] = (-s - y * t) / z; } /* overflow control */ t = fabs(h[i][en - 1]); if (t != 0.0) { tst1 = t; tst2 = tst1 + 1.0 / tst1; if (tst2 <= tst1) { for (j = i; j < en; j++) h[j][en - 1] /= t; } } } } } } else if (q > 0.0) { m = na; if (fabs(h[en - 1][na - 1]) > fabs(h[na - 1][en - 1])) { h[na - 1][na - 1] = q / h[en - 1][na - 1]; h[na - 1][en - 1] = (p - h[en - 1][en - 1]) / h[en - 1][na - 1]; } else mcdiv(0.0, -h[na - 1][en - 1], h[na - 1][na - 1] - p, q, &h[na - 1][na - 1], &h[na - 1][en - 1]); h[en - 1][na - 1] = 0.0; h[en - 1][en - 1] = 1.0; if (en != 2) { for (i = en - 3; i >= 0; i--) { w = h[i][i] - p; ra = 0.0; sa = 0.0; for (j = m - 1; j < en; j++) { ra += h[i][j] * h[j][na - 1]; sa += h[i][j] * h[j][en - 1]; } if (wi[i] < 0.0) { z = w; r = ra; s = sa; } else { m = i + 1; if (wi[i] == 0.0) mcdiv(-ra, -sa, w, q, &h[i][na - 1], &h[i][en - 1]); else { /* solve complex equations */ x = h[i][i + 1]; y = h[i + 1][i]; vr = (wr[i] - p) * (wr[i] - p); vr = vr + wi[i] * wi[i] - q * q; vi = (wr[i] - p) * 2.0 * q; if (vr == 0.0 && vi == 0.0) { tst1 = norm * (fabs(w) + fabs(q) + fabs(x) + fabs(y) + fabs(z)); vr = tst1; do { vr = 0.01 * vr; tst2 = tst1 + vr; } while (tst2 > tst1); } mcdiv(x * r - z * ra + q * sa, x * s - z * sa - q * ra, vr, vi, &h[i][na - 1], &h[i][en - 1]); if (fabs(x) > fabs(z) + fabs(q)) { h[i + 1] [na - 1] = (q * h[i][en - 1] - w * h[i][na - 1] - ra) / x; h[i + 1][en - 1] = (-sa - w * h[i][en - 1] - q * h[i][na - 1]) / x; } else mcdiv(-r - y * h[i][na - 1], -s - y * h[i][en - 1], z, q, &h[i + 1][na - 1], &h[i + 1][en - 1]); } /* overflow control */ t = (fabs(h[i][na - 1]) > fabs(h[i][en - 1])) ? fabs(h[i][na - 1]) : fabs(h[i][en - 1]); if (t != 0.0) { tst1 = t; tst2 = tst1 + 1.0 / tst1; if (tst2 <= tst1) { for (j = i; j < en; j++) { h[j][na - 1] /= t; h[j][en - 1] /= t; } } } } } } } } /* end back substitution. vectors of isolated roots */ for (i = 0; i < n; i++) { if (i + 1 < low || i + 1 > hgh) { for (j = i; j < n; j++) zz[i][j] = h[i][j]; } } /* multiply by transformation matrix to give vectors of * original full matrix. */ for (j = n - 1; j >= low - 1; j--) { m = ((j + 1) < hgh) ? (j + 1) : hgh; /* min */ for (i = low - 1; i < hgh; i++) { z = 0.0; for (k = low - 1; k < m; k++) z += zz[i][k] * h[k][j]; zz[i][j] = z; } } } return; } /* make rate matrix with 0.01 expected substitutions per unit time */ void onepamratematrix(dmatrix a) { int i, j; double delta, temp, sum; dvector m; for (i = 0; i < tpmradix; i++) { for (j = 0; j < tpmradix; j++) { a[i][j] = Freqtpm[j]*a[i][j]; } } m = new_dvector(tpmradix); for (i = 0, sum = 0.0; i < tpmradix; i++) { for (j = 0, temp = 0.0; j < tpmradix; j++) temp += a[i][j]; m[i] = temp; /* row sum */ sum += temp*Freqtpm[i]; /* exp. rate */ } delta = 0.01 / sum; /* 0.01 subst. per unit time */ for (i = 0; i < tpmradix; i++) { for (j = 0; j < tpmradix; j++) { if (i != j) a[i][j] = delta * a[i][j]; else a[i][j] = delta * (-m[i]); } } free_dvector(m); } void eigensystem(dvector eval, dmatrix evec) { dvector evali, forg; dmatrix a, b; ivector ordr; int i, j, k, error; double zero; ordr = new_ivector(tpmradix); evali = new_dvector(tpmradix); forg = new_dvector(tpmradix); a = new_dmatrix(tpmradix,tpmradix); b = new_dmatrix(tpmradix,tpmradix); rtfdata(a, forg); /* get relative transition matrix and frequencies */ onepamratematrix(a); /* make 1 PAM rate matrix */ /* copy a to b */ for (i = 0; i < tpmradix; i++) for (j = 0; j < tpmradix; j++) b[i][j] = a[i][j]; elmhes(a, ordr, tpmradix); /* compute eigenvalues and eigenvectors */ eltran(a, evec, ordr, tpmradix); hqr2(tpmradix, 1, tpmradix, a, evec, eval, evali); /* check eigenvalue equation */ error = FALSE; for (j = 0; j < tpmradix; j++) { for (i = 0, zero = 0.0; i < tpmradix; i++) { for (k = 0; k < tpmradix; k++) zero += b[i][k] * evec[k][j]; zero -= eval[j] * evec[i][j]; if (fabs(zero) > 1.0e-5) error = TRUE; } } if (error) FPRINTF(STDOUTFILE "\nWARNING: Eigensystem doesn't satisfy eigenvalue equation!\n"); free_ivector(ordr); free_dvector(evali); free_dvector(forg); free_dmatrix(a); free_dmatrix(b); } void luinverse(dmatrix inmat, dmatrix imtrx, int size) { double eps = 1.0e-20; /* ! */ int i, j, k, l, maxi=0, idx, ix, jx; double sum, tmp, maxb, aw; ivector index; double *wk; dmatrix omtrx; index = new_ivector(tpmradix); omtrx = new_dmatrix(tpmradix,tpmradix); /* copy inmat to omtrx */ for (i = 0; i < tpmradix; i++) for (j = 0; j < tpmradix; j++) omtrx[i][j] = inmat[i][j]; wk = (double *) malloc((unsigned)size * sizeof(double)); aw = 1.0; for (i = 0; i < size; i++) { maxb = 0.0; for (j = 0; j < size; j++) { if (fabs(omtrx[i][j]) > maxb) maxb = fabs(omtrx[i][j]); } if (maxb == 0.0) { /* Singular matrix */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR C TO DEVELOPERS\n\n\n"); exit(1); } wk[i] = 1.0 / maxb; } for (j = 0; j < size; j++) { for (i = 0; i < j; i++) { sum = omtrx[i][j]; for (k = 0; k < i; k++) sum -= omtrx[i][k] * omtrx[k][j]; omtrx[i][j] = sum; } maxb = 0.0; for (i = j; i < size; i++) { sum = omtrx[i][j]; for (k = 0; k < j; k++) sum -= omtrx[i][k] * omtrx[k][j]; omtrx[i][j] = sum; tmp = wk[i] * fabs(sum); if (tmp >= maxb) { maxb = tmp; maxi = i; } } if (j != maxi) { for (k = 0; k < size; k++) { tmp = omtrx[maxi][k]; omtrx[maxi][k] = omtrx[j][k]; omtrx[j][k] = tmp; } aw = -aw; wk[maxi] = wk[j]; } index[j] = maxi; if (omtrx[j][j] == 0.0) omtrx[j][j] = eps; if (j != size - 1) { tmp = 1.0 / omtrx[j][j]; for (i = j + 1; i < size; i++) omtrx[i][j] *= tmp; } } for (jx = 0; jx < size; jx++) { for (ix = 0; ix < size; ix++) wk[ix] = 0.0; wk[jx] = 1.0; l = -1; for (i = 0; i < size; i++) { idx = index[i]; sum = wk[idx]; wk[idx] = wk[i]; if (l != -1) { for (j = l; j < i; j++) sum -= omtrx[i][j] * wk[j]; } else if (sum != 0.0) l = i; wk[i] = sum; } for (i = size - 1; i >= 0; i--) { sum = wk[i]; for (j = i + 1; j < size; j++) sum -= omtrx[i][j] * wk[j]; wk[i] = sum / omtrx[i][i]; } for (ix = 0; ix < size; ix++) imtrx[ix][jx] = wk[ix]; } free((char *)wk); wk = NULL; free_ivector(index); free_dmatrix(omtrx); } void checkevector(dmatrix evec, dmatrix ivec, int nn) { int i, j, ia, ib, ic, error; dmatrix matx; double sum; matx = new_dmatrix(nn, nn); /* multiply matrix of eigenvectors and its inverse */ for (ia = 0; ia < nn; ia++) { for (ic = 0; ic < nn; ic++) { sum = 0.0; for (ib = 0; ib < nn; ib++) sum += evec[ia][ib] * ivec[ib][ic]; matx[ia][ic] = sum; } } /* check whether the unitary matrix is obtained */ error = FALSE; for (i = 0; i < nn; i++) { for (j = 0; j < nn; j++) { if (i == j) { if (fabs(matx[i][j] - 1.0) > 1.0e-5) error = TRUE; } else { if (fabs(matx[i][j]) > 1.0e-5) error = TRUE; } } } if (error) { FPRINTF(STDOUTFILE "\nWARNING: Inversion of eigenvector matrix not perfect!\n"); } free_dmatrix(matx); } /***************************** exported functions *****************************/ /* compute 1 PAM rate matrix, its eigensystem, and the inverse matrix thereof */ void tranprobmat() { eigensystem(Eval, Evec); /* eigensystem of 1 PAM rate matrix */ luinverse(Evec, Ievc, tpmradix); /* inverse eigenvectors are in Ievc */ checkevector(Evec, Ievc, tpmradix); /* check whether inversion was OK */ } /* compute P(t) */ void tprobmtrx(double arc, dmatrix tpr) { register int i, j, k; register double temp; for (k = 0; k < tpmradix; k++) { temp = exp(arc * Eval[k]); for (j = 0; j < tpmradix; j++) iexp[k][j] = Ievc[k][j] * temp; } for (i = 0; i < tpmradix; i++) { for (j = 0; j < tpmradix; j++) { temp = 0.0; for (k = 0; k < tpmradix; k++) temp += Evec[i][k] * iexp[k][j]; tpr[i][j] = fabs(temp); } } } /******************************************************************************/ /* estimation of maximum likelihood distances */ /******************************************************************************/ /* compute total log-likelihood input: likelihoods for each site and non-zero rate output: total log-likelihood (incl. zero rate category) */ double comptotloglkl(dmatrix cdl) { int k, r; double loglkl, fv, fv2, sitelkl; loglkl = 0.0; fv = 1.0-fracinv; fv2 = (1.0-fracinv)/(double) numcats; if (numcats == 1) { for (k = 0; k < Numptrn; k++) { /* compute likelihood for pattern k */ sitelkl = cdl[0][k]*fv; if (constpat[k] == TRUE) sitelkl += fracinv*Freqtpm[(int) Seqpat[0][k]]; /* total log-likelihood */ loglkl += log(sitelkl)*Weight[k]; } } else { for (k = 0; k < Numptrn; k++) { /* this general routine works always but it's better to run it only when it's really necessary */ /* compute likelihood for pattern k */ sitelkl = 0.0; for (r = 0; r < numcats; r++) sitelkl += cdl[r][k]; sitelkl = fv2*sitelkl; if (constpat[k] == TRUE) sitelkl += fracinv*Freqtpm[(int) Seqpat[0][k]]; /* total log-likelihood */ loglkl += log(sitelkl)*Weight[k]; } } return loglkl; } /* computes the site log-likelihoods input: likelihoods for each site and non-zero rate output: log-likelihood for each site */ void allsitelkl(dmatrix cdl, dvector aslkl) { int k, r; double fv, fv2, sitelkl; fv = 1.0-fracinv; fv2 = (1.0-fracinv)/(double) numcats; if (numcats == 1) { for (k = 0; k < Numptrn; k++) { /* compute likelihood for pattern k */ sitelkl = cdl[0][k]*fv; if (constpat[k] == TRUE) sitelkl += fracinv*Freqtpm[(int) Seqpat[0][k]]; /* site log-likelihood */ aslkl[k] = log(sitelkl); } } else { for (k = 0; k < Numptrn; k++) { /* this general routine works always but it's better to run it only when it's really necessary */ /* compute likelihood for pattern k */ sitelkl = 0.0; for (r = 0; r < numcats; r++) sitelkl += cdl[r][k]; sitelkl = fv2*sitelkl; if (constpat[k] == TRUE) sitelkl += fracinv*Freqtpm[(int) Seqpat[0][k]]; /* total log-likelihood */ aslkl[k] = log(sitelkl); } } } /***************************** internal functions *****************************/ /* compute negative log-likelihood of distance arc between sequences seqchi/j */ double pairlkl(double arc) { int k, r, ci, cj; double loglkl, fv, sitelkl; /* compute tpms */ for (r = 0; r < numcats; r++) /* compute tpm for rate category r */ tprobmtrx(arc*Rates[r], ltprobr[r]); loglkl = 0.0; fv = 1.0-fracinv; if (numcats == 1) { for (k = 0; k < Numptrn; k++) { /* compute likelihood for site k */ ci = seqchi[k]; cj = seqchj[k]; if (ci != tpmradix && cj != tpmradix) sitelkl = ltprobr[0][ci][cj]*fv; else sitelkl = fv; if (ci == cj && ci != tpmradix) sitelkl += fracinv*Freqtpm[ci]; /* total log-likelihood */ loglkl += log(sitelkl)*Weight[k]; } } else { for (k = 0; k < Numptrn; k++) { /* this general routine works always but it's better to run it only when it's really necessary */ /* compute likelihood for site k */ ci = seqchi[k]; cj = seqchj[k]; if (ci != tpmradix && cj != tpmradix) { sitelkl = 0.0; for (r = 0; r < numcats; r++) sitelkl += ltprobr[r][ci][cj]; sitelkl = fv*sitelkl/(double) numcats; } else sitelkl = fv; if (ci == cj && ci != tpmradix) sitelkl += fracinv*Freqtpm[ci]; /* total log-likelihood */ loglkl += log(sitelkl)*Weight[k]; } } /* return negative log-likelihood as we use a minimizing procedure */ return -loglkl; } /***************************** exported functions *****************************/ /* maximum likelihood distance between sequence i and j */ double mldistance(int i, int j) { double dist, fx, f2x; if (i == j) return 0.0; /* use old distance as start value */ dist = Distanmat[i][j]; if (dist == 0.0) return 0.0; seqchi = Seqpat[i]; seqchj = Seqpat[j]; if (dist <= MINARC) dist = MINARC+1.0; if (dist >= MAXARC) dist = MAXARC-1.0; dist = onedimenmin(MINARC, dist, MAXARC, pairlkl, EPSILON, &fx, &f2x); return dist; } /* initialize distance matrix */ void initdistan() { int i, j, k, diff, x, y; double obs, temp; for (i = 0; i < Maxspc; i++) { Distanmat[i][i] = 0.0; for (j = i + 1; j < Maxspc; j++) { seqchi = Seqpat[i]; seqchj = Seqpat[j]; /* count observed differences */ diff = 0; for (k = 0; k < Numptrn; k++) { x = seqchi[k]; y = seqchj[k]; if (x != y && x != tpmradix && y != tpmradix) diff += Weight[k]; } if (diff == 0) Distanmat[i][j] = 0.0; else { /* use generalized JC correction to get first estimate (for the SH model the observed distance is used) */ /* observed distance */ obs = (double) diff / (double) Maxsite; temp = 1.0 - (double) obs*tpmradix/(tpmradix-1.0); if (temp > 0.0 && !(data_optn == 0 && SH_optn)) /* use JC corrected distance */ Distanmat[i][j] = -100.0*(tpmradix-1.0)/tpmradix * log(temp); else /* use observed distance */ Distanmat[i][j] = obs * 100.0; if (Distanmat[i][j] < MINARC) Distanmat[i][j] = MINARC; if (Distanmat[i][j] > MAXARC) Distanmat[i][j] = MAXARC; } Distanmat[j][i] = Distanmat[i][j]; } } } /* compute distance matrix */ void computedistan() { int i, j; for (i = 0; i < Maxspc; i++) for (j = i; j < Maxspc; j++) { Distanmat[i][j] = mldistance(i, j); Distanmat[j][i] = Distanmat[i][j]; } } /******************************************************************************/ /* computation of maximum likelihood edge lengths for a given tree */ /******************************************************************************/ /***************************** internal functions *****************************/ /* multiply partial likelihoods */ void productpartials(Node *op) { Node *cp; int i, j, r; dcube opc, cpc; cp = op; opc = op->partials; while (cp->isop->isop != op) { cp = cp->isop; cpc = cp->partials; for (r = 0; r < numcats; r++) for (i = 0; i < Numptrn; i++) for (j = 0; j < tpmradix; j++) opc[r][i][j] *= cpc[r][i][j]; } } /* compute internal partial likelihoods */ void partialsinternal(Node *op) { int i, j, k, r; double sum; dcube oprob, cprob; if (clockmode == 1) { /* clocklike branch lengths */ for (r = 0; r < numcats; r++) { tprobmtrx((op->lengthc)*Rates[r], ltprobr[r]); } } else { /* non-clocklike branch lengths */ for (r = 0; r < numcats; r++) { tprobmtrx((op->length)*Rates[r], ltprobr[r]); } } oprob = op->partials; cprob = op->kinp->isop->partials; for (r = 0; r < numcats; r++) { for (k = 0; k < Numptrn; k++) { for (i = 0; i < tpmradix; i++) { sum = 0.0; for (j = 0; j < tpmradix; j++) sum += ltprobr[r][i][j] * cprob[r][k][j]; oprob[r][k][i] = sum; } } } } /* compute external partial likelihoods */ void partialsexternal(Node *op) { int i, j, k, r; dcube oprob; cvector dseqi; if (clockmode == 1) { /* clocklike branch lengths */ for (r = 0; r < numcats; r++) { tprobmtrx((op->lengthc)*Rates[r], ltprobr[r]); } } else { /* nonclocklike branch lengths */ for (r = 0; r < numcats; r++) { tprobmtrx((op->length)*Rates[r], ltprobr[r]); } } oprob = op->partials; dseqi = op->kinp->eprob; for (r = 0; r < numcats; r++) { for (k = 0; k < Numptrn; k++) { if ((j = dseqi[k]) == tpmradix) { for (i = 0; i < tpmradix; i++) oprob[r][k][i] = 1.0; } else { for (i = 0; i < tpmradix; i++) oprob[r][k][i] = ltprobr[r][i][j]; } } } } /* compute all partial likelihoods */ void initpartials(Tree *tr) { Node *cp, *rp; cp = rp = tr->rootp; do { cp = cp->isop->kinp; if (cp->isop == NULL) { /* external node */ cp = cp->kinp; /* not descen */ partialsexternal(cp); } else { /* internal node */ if (!cp->descen) { productpartials(cp->kinp->isop); partialsinternal(cp); } } } while (cp != rp); } /* compute log-likelihood given internal branch with length arc between partials partiali and partials partialj */ double intlkl(double arc) { double sumlk, slk; int r, s, i, j; dmatrix cdl; cdl = Ctree->condlkl; for (r = 0; r < numcats; r++) { tprobmtrx(arc*Rates[r], ltprobr[r]); } for (r = 0; r < numcats; r++) { for (s = 0; s < Numptrn; s++) { sumlk = 0.0; for (i = 0; i < tpmradix; i++) { slk = 0.0; for (j = 0; j < tpmradix; j++) slk += partialj[r][s][j] * ltprobr[r][i][j]; sumlk += Freqtpm[i] * partiali[r][s][i] * slk; } cdl[r][s] = sumlk; } } /* compute total log-likelihood for current tree */ Ctree->lklhd = comptotloglkl(cdl); return -(Ctree->lklhd); /* we use a minimizing procedure */ } /* optimize internal branch */ void optinternalbranch(Node *op) { double arc, fx, f2x; partiali = op->isop->partials; partialj = op->kinp->isop->partials; arc = op->length; /* nonclocklike branch lengths */ if (arc <= MINARC) arc = MINARC+1.0; if (arc >= MAXARC) arc = MAXARC-1.0; arc = onedimenmin(MINARC, arc, MAXARC, intlkl, EPSILON, &fx, &f2x); op->kinp->length = arc; op->length = arc; /* variance of branch length */ f2x = fabs(f2x); if (1.0/(MAXARC*MAXARC) < f2x) op->varlen = 1.0/f2x; else op->varlen = MAXARC*MAXARC; } /* compute log-likelihood given external branch with length arc between partials partiali and sequence seqchi */ double extlkl(double arc) { double sumlk; int r, s, i, j; dvector opb; dmatrix cdl; cdl = Ctree->condlkl; for (r = 0; r < numcats; r++) { tprobmtrx(arc*Rates[r], ltprobr[r]); } for (r = 0; r < numcats; r++) { for (s = 0; s < Numptrn; s++) { opb = partiali[r][s]; sumlk = 0.0; if ((j = seqchi[s]) != tpmradix) { for (i = 0; i < tpmradix; i++) sumlk += (Freqtpm[i] * (opb[i] * ltprobr[r][i][j])); } else { for (i = 0; i < tpmradix; i++) sumlk += Freqtpm[i] * opb[i]; } cdl[r][s] = sumlk; } } /* compute total log-likelihood for current tree */ Ctree->lklhd = comptotloglkl(cdl); return -(Ctree->lklhd); /* we use a minimizing procedure */ } /* optimize external branch */ void optexternalbranch(Node *op) { double arc, fx, f2x; partiali = op->isop->partials; seqchi = op->kinp->eprob; arc = op->length; /* nonclocklike branch lengths */ if (arc <= MINARC) arc = MINARC+1.0; if (arc >= MAXARC) arc = MAXARC-1.0; arc = onedimenmin(MINARC, arc, MAXARC, extlkl, EPSILON, &fx, &f2x); op->kinp->length = arc; op->length = arc; /* variance of branch length */ f2x = fabs(f2x); if (1.0/(MAXARC*MAXARC) < f2x) op->varlen = 1.0/f2x; else op->varlen = MAXARC*MAXARC; } /* finish likelihoods for each rate and site */ void finishlkl(Node *op) { int r, k, i, j; double arc, sumlk, slk; dmatrix cdl; partiali = op->isop->partials; partialj = op->kinp->isop->partials; cdl = Ctree->condlkl; arc = op->length; /* nonclocklike branch lengths */ for (r = 0; r < numcats; r++) { tprobmtrx(arc*Rates[r], ltprobr[r]); } for (r = 0; r < numcats; r++) { for (k = 0; k < Numptrn; k++) { sumlk = 0.0; for (i = 0; i < tpmradix; i++) { slk = 0.0; for (j = 0; j < tpmradix; j++) slk += partialj[r][k][j] * ltprobr[r][i][j]; sumlk += Freqtpm[i] * partiali[r][k][i] * slk; } cdl[r][k] = sumlk; } } } /***************************** exported functions *****************************/ /* optimize branch lengths to get maximum likelihood (nonclocklike branchs) */ double optlkl(Tree *tr) { Node *cp, *rp; int nconv; double lendiff; clockmode = 0; /* nonclocklike branch lengths */ nconv = 0; Converg = FALSE; initpartials(tr); for (Numit = 1; (Numit <= MAXIT) && (!Converg); Numit++) { cp = rp = tr->rootp; do { cp = cp->isop->kinp; productpartials(cp->kinp->isop); if (cp->isop == NULL) { /* external node */ cp = cp->kinp; /* not descen */ lendiff = cp->length; optexternalbranch(cp); lendiff = fabs(lendiff - cp->length); if (lendiff < EPSILON) nconv++; else nconv = 0; partialsexternal(cp); } else { /* internal node */ if (cp->descen) { partialsinternal(cp); } else { lendiff = cp->length; optinternalbranch(cp); lendiff = fabs(lendiff - cp->length); if (lendiff < EPSILON) nconv++; else nconv = 0; /* eventually compute likelihoods for each site */ if ((cp->number == Numibrnch-1 && lendiff < EPSILON) || Numit == MAXIT-1) finishlkl(cp); partialsinternal(cp); } } if (nconv >= Numbrnch) { /* convergence */ Converg = TRUE; cp = rp; /* get out of here */ } } while (cp != rp); } /* compute total log-likelihood for current tree */ return comptotloglkl(tr->condlkl); } /* compute likelihood of tree for given branch lengths */ double treelkl(Tree *tr) { int i, k, r; Node *cp; dmatrix cdl; dcube prob1, prob2; double sumlk; /* compute for each site and rate log-likelihoods */ initpartials(tr); cp = tr->rootp; productpartials(cp->isop); prob1 = cp->partials; prob2 = cp->isop->partials; cdl = tr->condlkl; for (r = 0; r < numcats; r++) { for (k = 0; k < Numptrn; k++) { sumlk = 0.0; for (i = 0; i < tpmradix; i++) sumlk += Freqtpm[i] * (prob1[r][k][i] * prob2[r][k][i]); cdl[r][k] = sumlk; } } /* return total log-likelihood for current tree */ return comptotloglkl(cdl); } /******************************************************************************/ /* least-squares estimate of branch lengths */ /******************************************************************************/ /***************************** internal functions *****************************/ void luequation(dmatrix amat, dvector yvec, int size) { double eps = 1.0e-20; /* ! */ int i, j, k, l, maxi=0, idx; double sum, tmp, maxb, aw; dvector wk; ivector index; wk = new_dvector(size); index = new_ivector(size); aw = 1.0; for (i = 0; i < size; i++) { maxb = 0.0; for (j = 0; j < size; j++) { if (fabs(amat[i][j]) > maxb) maxb = fabs(amat[i][j]); } if (maxb == 0.0) { /* Singular matrix */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR D TO DEVELOPERS\n\n\n"); exit(1); } wk[i] = 1.0 / maxb; } for (j = 0; j < size; j++) { for (i = 0; i < j; i++) { sum = amat[i][j]; for (k = 0; k < i; k++) sum -= amat[i][k] * amat[k][j]; amat[i][j] = sum; } maxb = 0.0; for (i = j; i < size; i++) { sum = amat[i][j]; for (k = 0; k < j; k++) sum -= amat[i][k] * amat[k][j]; amat[i][j] = sum; tmp = wk[i] * fabs(sum); if (tmp >= maxb) { maxb = tmp; maxi = i; } } if (j != maxi) { for (k = 0; k < size; k++) { tmp = amat[maxi][k]; amat[maxi][k] = amat[j][k]; amat[j][k] = tmp; } aw = -aw; wk[maxi] = wk[j]; } index[j] = maxi; if (amat[j][j] == 0.0) amat[j][j] = eps; if (j != size - 1) { tmp = 1.0 / amat[j][j]; for (i = j + 1; i < size; i++) amat[i][j] *= tmp; } } l = -1; for (i = 0; i < size; i++) { idx = index[i]; sum = yvec[idx]; yvec[idx] = yvec[i]; if (l != -1) { for (j = l; j < i; j++) sum -= amat[i][j] * yvec[j]; } else if (sum != 0.0) l = i; yvec[i] = sum; } for (i = size - 1; i >= 0; i--) { sum = yvec[i]; for (j = i + 1; j < size; j++) sum -= amat[i][j] * yvec[j]; yvec[i] = sum / amat[i][i]; } free_ivector(index); free_dvector(wk); } /* least square estimation of branch lengths used for the approximate ML and as starting point in the calculation of the exact value of the ML */ void lslength(Tree *tr, dvector distanvec, int numspc, int numibrnch, dvector Brnlength) { int i, i1, j, j1, j2, k, numbrnch, numpair; double sum, leng, alllen, rss; ivector pths; dmatrix atmt, atamt; Node **ebp, **ibp; numbrnch = numspc + numibrnch; numpair = (numspc * (numspc - 1)) / 2; atmt = new_dmatrix(numbrnch, numpair); atamt = new_dmatrix(numbrnch, numbrnch); ebp = tr->ebrnchp; ibp = tr->ibrnchp; for (i = 0; i < numspc; i++) { for (j1 = 1, j = 0; j1 < numspc; j1++) { if (j1 == i) { for (j2 = 0; j2 < j1; j2++, j++) { atmt[i][j] = 1.0; } } else { for (j2 = 0; j2 < j1; j2++, j++) { if (j2 == i) atmt[i][j] = 1.0; else atmt[i][j] = 0.0; } } } } for (i1 = 0, i = numspc; i1 < numibrnch; i1++, i++) { pths = ibp[i1]->paths; for (j1 = 1, j = 0; j1 < numspc; j1++) { for (j2 = 0; j2 < j1; j2++, j++) { if (pths[j1] != pths[j2]) atmt[i][j] = 1.0; else atmt[i][j] = 0.0; } } } for (i = 0; i < numbrnch; i++) { for (j = 0; j <= i; j++) { for (k = 0, sum = 0.0; k < numpair; k++) sum += atmt[i][k] * atmt[j][k]; atamt[i][j] = sum; atamt[j][i] = sum; } } for (i = 0; i < numbrnch; i++) { for (k = 0, sum = 0.0; k < numpair; k++) sum += atmt[i][k] * distanvec[k]; Brnlength[i] = sum; } luequation(atamt, Brnlength, numbrnch); for (i = 0, rss = 0.0; i < numpair; i++) { sum = distanvec[i]; for (j = 0; j < numbrnch; j++) { if (atmt[j][i] == 1.0 && Brnlength[j] > 0.0) sum -= Brnlength[j]; } rss += sum * sum; } tr->rssleast = sqrt(rss); alllen = 0.0; for (i = 0; i < numspc; i++) { leng = Brnlength[i]; alllen += leng; if (leng < MINARC) leng = MINARC; if (leng > MAXARC) leng = MAXARC; if (clockmode) { /* clock */ ebp[i]->lengthc = leng; ebp[i]->kinp->lengthc = leng; } else { /* no clock */ ebp[i]->length = leng; ebp[i]->kinp->length = leng; } Brnlength[i] = leng; } for (i = 0, j = numspc; i < numibrnch; i++, j++) { leng = Brnlength[j]; alllen += leng; if (leng < MINARC) leng = MINARC; if (leng > MAXARC) leng = MAXARC; if (clockmode) { /* clock */ ibp[i]->lengthc = leng; ibp[i]->kinp->lengthc = leng; } else { /* no clock */ ibp[i]->length = leng; ibp[i]->kinp->length = leng; } Brnlength[j] = leng; } free_dmatrix(atmt); free_dmatrix(atamt); } ./arbsrc_9167/GDE/TREEPUZZLE/src/ml2.c0000644012664100000130000012560311213220011016662 0ustar arb_buildcoders/* * ml2.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #define EXTERN extern /* prototypes */ #include #include #include #include #include #include "util.h" #include "ml.h" #define STDOUT stdout #ifndef PARALLEL /* because printf() runs significantly faster */ /* than fprintf(stdout) on an Apple McIntosh */ /* (HS) */ # define FPRINTF printf # define STDOUTFILE #else # define FPRINTF fprintf # define STDOUTFILE STDOUT, #endif /* prototypes for two functions of puzzle2.c */ void fputid10(FILE *, int); int fputid(FILE *, int); /******************************************************************************/ /* user tree input */ /******************************************************************************/ /* read user tree, drop all blanks, tabs, and newlines. Drop edgelengths (after :) but keep internal labels. Check whether all pairs of brackets match. */ void getusertree(FILE *itfp, cvector tr, int maxlen) { int n, brac, ci; int comment = 0; /* look for opening bracket */ n = 0; brac = 0; do { ci = fgetc(itfp); if (ci == EOF) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (missing start bracket in tree)\n\n\n"); exit(1); } if (ci == '[') comment = 1; if ((ci == ']') && comment) { comment = 0; ci = fgetc(itfp); } } while (comment || ((char) ci != '(')); tr[n] = (char) ci; brac++; do { /* get next character (skip blanks, newlines, and tabs) */ do { ci = fgetc(itfp); if (ci == EOF) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (no more characters in tree)\n\n\n"); exit(1); } if (ci == '[') comment = 1; if ((ci == ']') && comment) { comment = 0; ci = fgetc(itfp); } } while (comment || (char) ci == ' ' || (char) ci == '\n' || (char) ci == '\t'); if ((char) ci == ':') { /* skip characters until a ,) appears */ do { ci = fgetc(itfp); if (ci == EOF) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (missing ';' or ',' in tree)\n\n\n"); exit(1); } if (ci == '[') comment = 1; if ((ci == ']') && comment) { comment = 0; ci = fgetc(itfp); } } while (comment || ((char) ci != ',' && (char) ci != ')') ); } if ((char) ci == '(') { brac++; } if ((char) ci == ')') { brac--; } n++; tr[n] = (char) ci; } while (((char) ci != ';') && (n != maxlen-2)); if (n == maxlen-2) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (tree description too long)\n\n\n"); exit(1); } if (brac != 0) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (brackets don't match in tree)\n\n\n"); exit(1); } n++; tr[n] = '\0'; } Node *internalnode(Tree *tr, char **chpp, int *ninode) { Node *xp, *np, *rp; int i, j, dvg, ff, stop, numc; char ident[100], idcomp[11]; char *idp; (*chpp)++; if (**chpp == '(') { /* process subgroup */ xp = internalnode(tr, chpp, ninode); xp->isop = xp; dvg = 1; while (**chpp != ')') { if (**chpp == '\0') { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (unexpected end of tree)\n\n\n"); exit(1); } dvg++; /* insert edges around node */ np = internalnode(tr, chpp, ninode); np->isop = xp->isop; xp->isop = np; xp = np; } /* closing bracket reached */ (*chpp)++; if (dvg < 2) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (only one OTU inside pair of brackets)\n\n\n"); exit(1); } if ((*ninode) >= Maxspc-3) { /* all internal nodes already used */ FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (no unrooted tree)\n\n\n"); exit(1); } rp = tr->ibrnchp[*ninode]; rp->isop = xp->isop; xp->isop = rp; for (j = 0; j < Numspc; j++) rp->paths[j] = 0; xp = rp->isop; while (xp != rp) { for (j = 0; j < Numspc; j++) { if (xp->paths[j] == 1) rp->paths[j] = 1; } xp = xp->isop; } (*ninode)++; if ((**chpp) == ',' || (**chpp) == ')') return rp->kinp; if ((**chpp) == '\0') { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (unexpected end of tree)\n\n\n"); exit(1); } /* read internal label into rp->label (max. 20 characters) */ rp->label = new_cvector(21); (rp->label)[0] = **chpp; (rp->label)[1] = '\0'; for (numc = 1; numc < 20; numc++) { (*chpp)++; if ((**chpp) == ',' || (**chpp) == ')') return rp->kinp; if ((**chpp) == '\0') { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (unexpected end of tree)\n\n\n"); exit(1); } (rp->label)[numc] = **chpp; (rp->label)[numc+1] = '\0'; } do { /* skip the rest of the internal label */ (*chpp)++; if ((**chpp) == '\0') { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (unexpected end of tree)\n\n\n"); exit(1); } } while (((**chpp) != ',' && (**chpp) != ')')); return rp->kinp; } else { /* process species names */ /* read species name */ for (idp = ident; **chpp != ',' && **chpp != ')' && **chpp != '\0'; (*chpp)++) { *idp++ = **chpp; } *idp = '\0'; /* look for internal number */ idcomp[10] = '\0'; for (i = 0; i < Maxspc; i++) { ff = 0; stop = FALSE; do { idcomp[ff] = Identif[i][ff]; ff++; if (idcomp[ff-1] == ' ') stop = TRUE; } while (!stop && (ff != 10)); if (stop) idcomp[ff-1] = '\0'; if (!strcmp(ident, idcomp)) { if (usedtaxa[i]) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (multiple occurrences of sequence '"); FPRINTF(STDOUTFILE "%s' in tree)\n\n\n", ident); exit(1); } usedtaxa[i] = TRUE; return tr->ebrnchp[i]->kinp; } } FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (unknown sequence '%s' in tree)\n\n\n", ident); exit(1); } return NULL; /* never returned but without some compilers complain */ } /* make tree structure, the tree description may contain internal labels but no edge lengths */ void constructtree(Tree *tr, cvector strtree) { char *chp; int ninode, i; int dvg, numc; Node *xp, *np; ninode = 0; chp = strtree; usedtaxa = new_ivector(Maxspc); for (i = 0; i < Maxspc; i++) usedtaxa[i] = FALSE; xp = internalnode(tr, &chp, &ninode); xp->isop = xp; dvg = 1; while (*chp != ')') { /* look for closing bracket */ if (*chp == '\0') { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (unexpected end of tree)\n\n\n"); exit(1); } dvg++; /* insert edges around node */ np = internalnode(tr, &chp, &ninode); np->isop = xp->isop; xp->isop = np; xp = np; } for (i = 0; i < Maxspc; i++) if (usedtaxa[i] == FALSE) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (sequences missing in tree)\n\n\n"); exit(1); } /* closing bracket reached */ if (dvg < 3) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (no unrooted tree)\n\n\n"); exit(1); } tr->rootp = xp; Numibrnch = ninode; Numbrnch = Numspc + ninode; chp++; if (*chp == ';' || *chp == '\0') { free_ivector(usedtaxa); return; } /* copy last internal label (max. 20 characters) */ xp->label = new_cvector(21); (xp->label)[0] = *chp; (xp->label)[1] = '\0'; for (numc = 1; numc < 20; numc++) { chp++; if (*chp == ';' || *chp == '\0') { free_ivector(usedtaxa); return; } else { (xp->label)[numc] = *chp; (xp->label)[numc+1] = '\0'; } } free_ivector(usedtaxa); return; } /* remove possible basal bifurcation */ void removebasalbif(cvector strtree) { int n, c, brak, cutflag, h; /* check how many OTUs on basal level */ n = 0; c = 0; brak = 0; do { if (strtree[n] == '(') brak++; if (strtree[n] == ')') brak--; if (strtree[n] == ',' && brak == 1) c++; /* number of commas in outer bracket */ n++; } while (strtree[n] != '\0'); /* if only 1 OTU inside outer bracket stop now */ if (c == 0) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (Only 1 OTU inside outer bracket in tree)\n\n\n"); exit(1); } /* if only 2 OTUs inside outer bracket delete second pair of brackets from the right to remove basal bifurcation */ if (c == 1) { n = 0; brak = 0; cutflag = 0; /* not yet cutted */ h = 0; do { if (strtree[n] == '(') brak++; if (strtree[n] == ')') brak--; if (brak == 2 && cutflag == 0) cutflag = 1; /* cutting */ if (brak == 1 && cutflag == 1) { cutflag = 2; /* cutted */ /* leave out internal label */ do { h++; } while (strtree[n+h] != ')' && strtree[n+h] != ','); } if (cutflag == 1) strtree[n] = strtree[n+1]; if (cutflag == 2) strtree[n-1] = strtree[n+h]; n++; } while (strtree[n] != '\0'); } } void makeusertree(FILE *itfp) { cvector strtree; strtree = new_cvector(23*Maxspc); /* for treefile */ getusertree(itfp, strtree, 23*Maxspc); removebasalbif(strtree); constructtree(Ctree, strtree); free_cvector(strtree); } /******************************************************************************/ /* memory organisation for maximum likelihood tree */ /******************************************************************************/ /* initialise new tree */ Tree *new_tree(int maxspc, int numptrn, cmatrix seqconint) { int n, i, maxibrnch; Tree *tr; Node *dp, *up; maxibrnch = maxspc - 3; heights = (Node **) malloc((unsigned)(maxspc-2) * sizeof(Node *)); if (heights == NULL) maerror("heights in new_tree"); tr = (Tree *) malloc(sizeof(Tree)); if (tr == NULL) maerror("tr in new_tree"); tr->ebrnchp = (Node **) malloc((unsigned)maxspc * sizeof(Node *)); if (tr->ebrnchp == NULL) maerror("ebrnchp in new_tree"); tr->ibrnchp = (Node **) malloc((unsigned)maxibrnch * sizeof(Node *)); if (tr->ibrnchp == NULL) maerror("ibrnchp in new_tree"); tr->condlkl = new_dmatrix(numcats, numptrn); for (n = 0; n < maxspc; n++) { dp = (Node *) malloc(sizeof(Node)); if (dp == NULL) maerror("dp in new_tree"); up = (Node *) malloc(sizeof(Node)); if (up == NULL) maerror("up in new_tree"); dp->isop = NULL; up->isop = NULL; dp->kinp = up; up->kinp = dp; dp->descen = TRUE; up->descen = FALSE; dp->number = n; up->number = n; dp->length = 0.0; up->length = 0.0; dp->lengthc = 0.0; up->lengthc = 0.0; dp->varlen = 0.0; up->varlen = 0.0; dp->paths = new_ivector(maxspc); up->paths = dp->paths; for (i = 0; i < maxspc; i++) dp->paths[i] = 0; dp->paths[n] = 1; dp->eprob = seqconint[n]; up->eprob = NULL; dp->partials = NULL; up->partials = new_dcube(numcats, numptrn, tpmradix); tr->ebrnchp[n] = dp; up->label = NULL; dp->label = NULL; } for (n = 0; n < maxibrnch; n++) { dp = (Node *) malloc(sizeof(Node)); if (dp == NULL) maerror("dp in new_tree"); up = (Node *) malloc(sizeof(Node)); if (up == NULL) maerror("up in new_tree"); dp->isop = NULL; up->isop = NULL; dp->kinp = up; up->kinp = dp; dp->descen = TRUE; up->descen = FALSE; dp->number = n; up->number = n; dp->length = 0.0; up->length = 0.0; dp->lengthc = 0.0; up->lengthc = 0.0; dp->varlen = 0.0; up->varlen = 0.0; dp->paths = new_ivector(maxspc); up->paths = dp->paths; for (i = 0; i < maxspc; i++) dp->paths[i] = 0; dp->eprob = NULL; up->eprob = NULL; dp->partials = new_dcube(numcats, numptrn, tpmradix); up->partials = new_dcube(numcats, numptrn, tpmradix); tr->ibrnchp[n] = dp; up->label = NULL; dp->label = NULL; } tr->rootp = NULL; /* * reserve memory for lengths of the tree branches * and for the distance matrix as a vector * (needed for LS estimation of tree branch lengths) */ Brnlength = new_dvector(2 * maxspc - 3); Distanvec = new_dvector((maxspc * (maxspc - 1)) / 2); return tr; } /* initialise quartet tree */ Tree *new_quartet(int numptrn, cmatrix seqconint) { int n, i; Tree *tr; Node *dp, *up; heights = (Node **) malloc((unsigned)2 * sizeof(Node *)); if (heights == NULL) maerror("heights in new_quartet"); /* reserve memory for tree */ tr = (Tree *) malloc(sizeof(Tree)); if (tr == NULL) maerror("tr in new_quartet"); tr->ebrnchp = (Node **) malloc((unsigned) 4 * sizeof(Node *)); if (tr->ebrnchp == NULL) maerror("ebrnchp in new_quartet"); tr->ibrnchp = (Node **) malloc((unsigned) sizeof(Node *)); if (tr->ibrnchp == NULL) maerror("ibrnchp in new_quartet"); tr->condlkl = new_dmatrix(numcats, numptrn); /* reserve memory for nodes */ for (n = 0; n < 4; n++) { dp = (Node *) malloc(sizeof(Node)); if (dp == NULL) maerror("dp in new_quartet"); up = (Node *) malloc(sizeof(Node)); if (up == NULL) maerror("dp in new_quartet"); dp->isop = NULL; dp->kinp = up; up->kinp = dp; dp->descen = TRUE; up->descen = FALSE; dp->number = n; up->number = n; dp->length = 0.0; up->length = 0.0; dp->lengthc = 0.0; up->lengthc = 0.0; dp->varlen = 0.0; up->varlen = 0.0; dp->paths = new_ivector(4); up->paths = dp->paths; for (i = 0; i < 4; i++) dp->paths[i] = 0; dp->paths[n] = 1; dp->eprob = seqconint[n]; /* make quartet (0,1)-(2,3) as default */ up->eprob = NULL; dp->partials = NULL; up->partials = new_dcube(numcats, numptrn, tpmradix); tr->ebrnchp[n] = dp; } /* reserve memory for internal branch */ dp = (Node *) malloc(sizeof(Node)); if (dp == NULL) maerror("dp in new_quartet"); up = (Node *) malloc(sizeof(Node)); if (up == NULL) maerror("dp in new_quartet"); dp->isop = tr->ebrnchp[3]->kinp; /* connect internal branch */ up->isop = tr->ebrnchp[0]->kinp; dp->kinp = up; up->kinp = dp; dp->descen = TRUE; up->descen = FALSE; dp->number = 0; up->number = 0; dp->length = 0.0; up->length = 0.0; dp->lengthc = 0.0; up->lengthc = 0.0; dp->varlen = 0.0; up->varlen = 0.0; dp->paths = new_ivector(4); up->paths = dp->paths; up->paths[0] = 0; up->paths[1] = 0; up->paths[2] = 1; up->paths[3] = 1; dp->eprob = NULL; up->eprob = NULL; dp->partials = new_dcube(numcats, numptrn, tpmradix); up->partials = new_dcube(numcats, numptrn, tpmradix); tr->ibrnchp[0] = dp; /* place root */ tr->rootp = up; /* connect external branches */ tr->ebrnchp[0]->kinp->isop = tr->ebrnchp[1]->kinp; tr->ebrnchp[1]->kinp->isop = tr->rootp; tr->ebrnchp[3]->kinp->isop = tr->ebrnchp[2]->kinp; tr->ebrnchp[2]->kinp->isop = tr->rootp->kinp; /* * reserve memory for lengths of the five branches * of a quartet and for the six possible distances * (needed for LS estimation of branch lengths) */ Brnlength = new_dvector(NUMQBRNCH); Distanvec = new_dvector(NUMQSPC*(NUMQSPC-1)/2); return tr; } /* free tree memory */ void free_tree(Tree *tr, int taxa) { int n; Node *dp, *up; free(heights); free_dmatrix(tr->condlkl); for (n = 0; n < taxa; n++) { dp = tr->ebrnchp[n]; up = dp->kinp; free_ivector(dp->paths); free_dcube(up->partials); free(dp); free(up); } free(tr->ebrnchp); for (n = 0; n < (taxa-3); n++) { dp = tr->ibrnchp[n]; up = dp->kinp; free_dcube(dp->partials); free_dcube(up->partials); free_ivector(dp->paths); free(dp); free(up); } free(tr->ibrnchp); free(tr); free_dvector(Brnlength); /* branch lengths (for LS estimation) */ free_dvector(Distanvec); /* distances (for LS estimation) */ } /* make (a,b)-(c,d) quartet a ---+ +--- c +-----+ b ---+ +--- d species numbers range from 0 to Maxspc - 1 */ void make_quartet(int a, int b, int c, int d) { /* place sequences */ Ctree->ebrnchp[0]->eprob = Seqpat[a]; Ctree->ebrnchp[1]->eprob = Seqpat[b]; Ctree->ebrnchp[2]->eprob = Seqpat[c]; Ctree->ebrnchp[3]->eprob = Seqpat[d]; /* make distance vector */ Distanvec[0] = Distanmat[b][a]; Distanvec[1] = Distanmat[c][a]; Distanvec[2] = Distanmat[c][b]; Distanvec[3] = Distanmat[d][a]; Distanvec[4] = Distanmat[d][b]; Distanvec[5] = Distanmat[d][c]; } /* write distance matrix as vector */ void changedistan(dmatrix distanmat, dvector distanvec, int numspc) { int i, j, k; for (k = 0, i = 1; i < numspc; i++) { for (j = 0; j < i; j++, k++) distanvec[k] = distanmat[i][j]; } } /******************************************************************************/ /* computation of maximum likelihood tree */ /******************************************************************************/ /* compute the likelihood for (a,b)-(c,d) quartet */ double quartet_lklhd(int a, int b, int c, int d) { /* reserve memory for quartet if necessary */ if (mlmode != 1) { /* no quartet tree */ if (Ctree != NULL) free_tree(Ctree, Numspc); Ctree = new_quartet(Numptrn, Seqpat); Numbrnch = NUMQBRNCH; Numibrnch = NUMQIBRNCH; Numspc = NUMQSPC; mlmode = 1; } /* make (a,b)-(c,d) quartet */ make_quartet(a,b,c,d); clockmode = 0; /* nonclocklike branch lengths */ /* least square estimate for branch length */ lslength(Ctree, Distanvec, Numspc, Numibrnch, Brnlength); /* compute likelihood */ Ctree->lklhd = optlkl(Ctree); return Ctree->lklhd; } /* compute the approximate likelihood for (a,b)-(c,d) quartet */ double quartet_alklhd(int a, int b, int c, int d) { /* reserve memory for quartet if necessary */ if (mlmode != 1) { /* no quartet tree */ if (Ctree != NULL) free_tree(Ctree, Numspc); Ctree = new_quartet(Numptrn, Seqpat); Numbrnch = NUMQBRNCH; Numibrnch = NUMQIBRNCH; Numspc = NUMQSPC; mlmode = 1; } /* make (a,b)-(c,d) quartet */ make_quartet(a,b,c,d); clockmode = 0; /* nonclocklike branch lengths */ /* least square estimate for branch length */ lslength(Ctree, Distanvec, Numspc, Numibrnch, Brnlength); /* compute likelihood */ Ctree->lklhd = treelkl(Ctree); return Ctree->lklhd; } /* read usertree from file to memory */ void readusertree(FILE *ifp) { /* reserve memory for tree if necessary */ if (mlmode != 2) { /* no tree */ if (Ctree != NULL) free_tree(Ctree, Numspc); Ctree = new_tree(Maxspc, Numptrn, Seqpat); Numbrnch = 2*Maxspc-3; Numibrnch = Maxspc-3; Numspc = Maxspc; mlmode = 2; } /* read tree */ makeusertree(ifp); } /* compute the likelihood of a usertree */ double usertree_lklhd() { /* be sure to have a usertree in memory and to have pairwise distances computed */ clockmode = 0; /* nonclocklike branch lengths */ /* least square estimate for branch length */ changedistan(Distanmat, Distanvec, Numspc); lslength(Ctree, Distanvec, Numspc, Numibrnch, Brnlength); /* compute likelihood */ Ctree->lklhd = optlkl(Ctree); return Ctree->lklhd; } /* compute the approximate likelihood of a usertree */ double usertree_alklhd() { /* be sure to have a usertree in memory and to have pairwise distances computed */ clockmode = 0; /* nonclocklike branch lengths */ /* least square estimate for branch length */ changedistan(Distanmat, Distanvec, Numspc); lslength(Ctree, Distanvec, Numspc, Numibrnch, Brnlength); /* compute likelihood */ Ctree->lklhd = treelkl(Ctree); return Ctree->lklhd; } /* preparation for ML analysis */ void mlstart() { /* number of states and code length */ tpmradix = gettpmradix(); /* declare variables */ Eval = new_dvector(tpmradix); Evec = new_dmatrix(tpmradix,tpmradix); Ievc = new_dmatrix(tpmradix,tpmradix); iexp = new_dmatrix(tpmradix,tpmradix); Alias = new_ivector(Maxsite); /* process sequence information */ evaluateseqs(); bestrate = new_ivector(Numptrn); /* compute transition probability matrix */ tranprobmat(); /* non-zero rate categories */ Rates = new_dvector(numcats); updaterates(); ltprobr = new_dcube(numcats, tpmradix,tpmradix); /* compute distance matrix */ Distanmat = new_dmatrix(Maxspc, Maxspc); initdistan(); /* initialize tree pointer for quartet tree */ mlmode = 1; Ctree = new_quartet(Numptrn, Seqpat); Numbrnch = NUMQBRNCH; Numibrnch = NUMQIBRNCH; Numspc = NUMQSPC; /* computing ML distances */ computedistan(); } /* recompute ml distances for quartet only */ void distupdate(int a, int b, int c, int d) { /* update distance matrix */ /* consider only entries relevant to quartet */ Distanmat[a][b] = mldistance(a, b); Distanmat[b][a] = Distanmat[a][b]; Distanmat[a][c] = mldistance(a, c); Distanmat[c][a] = Distanmat[a][c]; Distanmat[a][d] = mldistance(a, d); Distanmat[d][a] = Distanmat[a][d]; Distanmat[b][c] = mldistance(b, c); Distanmat[c][b] = Distanmat[b][c]; Distanmat[b][d] = mldistance(b, d); Distanmat[d][b] = Distanmat[b][d]; Distanmat[c][d] = mldistance(c, d); Distanmat[d][c] = Distanmat[c][d]; } /* cleanup after ML analysis */ void mlfinish() { if (Ctree != NULL) free_tree(Ctree, Numspc); free_ivector(bestrate); free_ivector(Alias); free_cmatrix(Seqpat); free_ivector(constpat); free_ivector(Weight); free_dmatrix(Distanmat); free_dvector(Eval); free_dmatrix(Evec); free_dmatrix(Ievc); free_dvector(Rates); free_dcube(ltprobr); free_dmatrix(iexp); } /******************************************************************************/ /* tree output */ /******************************************************************************/ #define MAXOVER 50 #define MAXLENG 30 #define MAXCOLUMN 80 void prbranch(Node *up, int depth, int m, int maxm, ivector umbrella, ivector column, FILE *outfp) { int i, num, n, maxn, lim; Node *cp; char bch; if ((int)((clockmode ? up->lengthc : up->length) * Proportion) >= MAXOVER) { column[depth] = MAXLENG; bch = '+'; } else { column[depth] = (int)((clockmode ? up->lengthc : up->length) * Proportion) + 3; bch = '-'; } if (up->isop == NULL) { /* external branch */ num = up->number + 1; /* offset */ if (m == 1) umbrella[depth - 1] = TRUE; for (i = 0; i < depth; i++) { if (umbrella[i]) fprintf(outfp, "%*c", column[i], ':'); else fprintf(outfp, "%*c", column[i], ' '); } if (m == maxm) umbrella[depth - 1] = FALSE; for (i = 0, lim = column[depth] - 3; i < lim; i++) fputc(bch, outfp); fprintf(outfp, "-%d ", num); fputid(outfp, up->number); fputc('\n', outfp); fputc(' ', outfp); return; } num = up->number + 1 + Numspc; /* offset, internal branch */ for (cp = up->isop, maxn = 0; cp != up; cp = cp->isop, maxn++) ; for (cp = up->isop, n = 1; cp != up; cp = cp->isop, n++) { prbranch(cp->kinp, depth + 1, n, maxn, umbrella, column, outfp); if (m == 1 && n == maxn / 2) umbrella[depth - 1] = TRUE; if (n != maxn) { for (i = 0; i < depth; i++) { if (umbrella[i]) fprintf(outfp, "%*c", column[i], ':'); else fprintf(outfp, "%*c", column[i], ' '); } if (n == maxn / 2) { /* internal branch */ for (i = 0, lim = column[depth] - 3; i < lim; i++) fputc(bch, outfp); if (num < 10) fprintf(outfp, "--%d", num); else if (num < 100) fprintf(outfp, "-%2d", num); else fprintf(outfp, "%3d", num); } else { if (umbrella[depth]) fprintf(outfp, "%*c", column[depth], ':'); else fprintf(outfp, "%*c", column[depth], ' '); } fputc('\n', outfp); fputc(' ', outfp); } if (m == maxm) umbrella[depth - 1] = FALSE; } return; } void getproportion(double *proportion, dvector distanvec, int numspc) { int i, maxpair; double maxdis; maxpair = (numspc*(numspc-1))/2; maxdis = 0.0; for (i = 0; i < maxpair; i++) { if (distanvec[i] > maxdis) { maxdis = distanvec[i]; } } *proportion = (double) MAXCOLUMN / (maxdis * 3.0); if (*proportion > 1.0) *proportion = 1.0; } void prtopology(FILE *outfp) { int n, maxn, depth; ivector umbrella; ivector column; Node *cp, *rp; getproportion(&Proportion, Distanvec, Numspc); umbrella = new_ivector(Numspc); column = new_ivector(Numspc); for (n = 0; n < Numspc; n++) { umbrella[n] = FALSE; column[n] = 3; } column[0] = 1; fputc(' ', outfp); /* original code: rp = Ctree->rootp */ /* but we want to print the first group in the trichotomy as outgroup at the bottom! */ rp = Ctree->rootp->isop; for (maxn = 1, cp = rp->isop; cp != rp; cp = cp->isop, maxn++) ; depth = 1; n = 0; cp = rp; do { cp = cp->isop; n++; prbranch(cp->kinp, depth, n, maxn, umbrella, column, outfp); if (cp != rp) fprintf(outfp, "%*c\n ", column[0], ':'); } while (cp != rp); free_ivector(umbrella); free_ivector(column); } /* print unrooted tree file with branch lengths */ void fputphylogeny(FILE *fp) { Node *cp, *rp; int n; cp = rp = Ctree->rootp; putc('(', fp); n = 1; do { cp = cp->isop->kinp; if (cp->isop == NULL) { /* external node */ if (n > 60) { fprintf(fp, "\n"); n = 2; } n += fputid(fp, cp->number); fprintf(fp, ":%.5f", ((clockmode ? cp->lengthc : cp->length))*0.01); n += 7; cp = cp->kinp; } else { /* internal node */ if (cp->descen) { if (n > 60) { fprintf(fp, "\n"); n = 1; } putc('(', fp); n++; } else { putc(')', fp); n++; if (n > 60) { fprintf(fp, "\n"); n = 1; } /* internal label */ if (cp->kinp->label != NULL) { fprintf(fp, "%s", cp->kinp->label); n += strlen(cp->kinp->label); } fprintf(fp, ":%.5f", ((clockmode ? cp->lengthc : cp->length))*0.01); n += 7; } } if (!cp->descen && !cp->isop->descen && cp != rp) { putc(',', fp); /* not last subtree */ n++; } } while (cp != rp); fprintf(fp, ")"); /* internal label */ if (cp->label != NULL) fprintf(fp, "%s", cp->label); fprintf(fp, ";\n"); } void resulttree(FILE *outfp) { int n, ne, closeflag; Node *ep, *ip; double blen; closeflag = FALSE; if (clockmode) { fprintf(outfp, "\n branch length nc/c"); fprintf(outfp, " branch length nc/c (= non-clock/clock)\n"); } else { fprintf(outfp, "\n branch length S.E."); fprintf(outfp, " branch length S.E.\n"); } for (n = 0; n < Numspc; n++) { ep = Ctree->ebrnchp[n]; ne = ep->number; fputid10(outfp, ne); fputs(" ", outfp); fprintf(outfp, "%3d", ne + 1); blen = (clockmode ? ep->lengthc : ep->length); fprintf(outfp, "%9.5f", blen*0.01); if (blen < 5.0*MINARC || blen > 0.95*MAXARC) closeflag = TRUE; if (clockmode) fprintf(outfp, "%9.3f", (ep->length)/(ep->lengthc)); else fprintf(outfp, "%9.5f", 0.01*sqrt(ep->kinp->varlen)); if (n < Numibrnch) { ip = Ctree->ibrnchp[n]; fprintf(outfp, "%8d", n + 1 + Numspc); blen = (clockmode ? ip->lengthc : ip->length); fprintf(outfp, "%9.5f", blen*0.01); if (blen < 5.0*MINARC || blen > 0.95*MAXARC) closeflag = TRUE; if (clockmode) fprintf(outfp, "%9.3f", (ip->length)/(ip->lengthc)); else fprintf(outfp, "%9.5f", 0.01*sqrt(ip->kinp->varlen)); fputc('\n', outfp); } else { if (n == Numspc - 3) { fputc('\n', outfp); } else if (n == Numspc - 2) { if (clockmode) { if (!Convergc) fprintf(outfp, " No convergence after %d iterations!\n", Numitc); else fprintf(outfp, " %d iterations until convergence\n", Numitc); } else { if (!Converg) fprintf(outfp, " No convergence after %d iterations!\n", Numit); else fprintf(outfp, " %d iterations until convergence\n", Numit); } } else if (n == Numspc - 1) { fprintf(outfp, " log L: %.2f\n", (clockmode ? Ctree->lklhdc : Ctree->lklhd)); } else { fputc('\n', outfp); } } } if(closeflag) fprintf(outfp, "\nWARNING --- at least one branch length is close to an internal boundary!\n"); } /******************************************************************************/ /* Neighbor-joining tree */ /******************************************************************************/ /* compute NJ tree and write to file */ void njtree(FILE *fp) { /* reserve memory for tree if necessary */ if (mlmode != 3) { /* no tree */ if (Ctree != NULL) free_tree(Ctree, Numspc); Ctree = new_tree(Maxspc, Numptrn, Seqpat); Numbrnch = 2*Maxspc-3; Numibrnch = Maxspc-3; Numspc = Maxspc; mlmode = 3; } /* construct NJ tree from distance matrix */ njdistantree(Ctree); fputphylogeny(fp); } /* construct NJ tree from distance matrix */ void njdistantree(Tree *tr) { int i, j, otui=0, otuj=0, otuk, nsp2, cinode, step, restsp, k; double dij, bix, bjx, bkx, sij, smax, dnsp2; dvector r; dmatrix distan; Node **psotu, *cp, *ip, *jp, *kp; distan = new_dmatrix(Maxspc,Maxspc); for (i = 0; i < Maxspc; i++) for (j = 0; j < Maxspc; j++) distan[i][j] = Distanmat[i][j]; nsp2 = Maxspc - 2; dnsp2 = 1.0 / nsp2; r = new_dvector(Maxspc); psotu = (Node **) malloc((unsigned)Maxspc * sizeof(Node *)); if (psotu == NULL) maerror("psotu in njdistantree"); /* external branches are start OTUs */ for (i = 0; i < Maxspc; i++) psotu[i] = tr->ebrnchp[i]->kinp; restsp = Maxspc; cinode = 0; /* counter for internal nodes */ for (step = 0; restsp > 3; step++) { /* NJ clustering steps */ for (i = 0; i < Maxspc; i++) { if (psotu[i] != NULL) { for (j = 0, r[i] = 0.0; j < Maxspc; j++) if (psotu[j] != NULL) r[i] += distan[i][j]; } } smax = -1.0; for (i = 0; i < Maxspc-1; i++) { if (psotu[i] != NULL) { for (j = i+1; j < Maxspc; j++) { if (psotu[j] != NULL) { sij = ( r[i] + r[j] ) * dnsp2 - distan[i][j]; if (sij > smax) { smax = sij; otui = i; otuj = j; } } } } } /* new pair: otui and otuj */ dij = distan[otui][otuj]; bix = (dij + r[otui]/nsp2 - r[otuj]/nsp2) * 0.5; bjx = dij - bix; cp = tr->ibrnchp[cinode]; ip = psotu[otui]; jp = psotu[otuj]; cp->isop = ip; ip->isop = jp; jp->isop = cp; ip->length = bix; jp->length = bjx; ip->kinp->length = ip->length; jp->kinp->length = jp->length; cp = cp->kinp; for (k = 0; k < Maxspc; k++) { if (psotu[k] != NULL && k != otui && k != otuj) { dij = (distan[otui][k] + distan[otuj][k] - distan[otui][otuj]) * 0.5; distan[otui][k] = dij; distan[k][otui] = dij; } } distan[otui][otui] = 0.0; psotu[otui] = cp; psotu[otuj] = NULL; cinode++; restsp--; nsp2--; dnsp2 = 1.0 / nsp2; } otui = otuj = otuk = -1; for (i = 0; i < Maxspc; i++) { if (psotu[i] != NULL) { if (otui == -1) otui = i; else if (otuj == -1) otuj = i; else otuk = i; } } bix = (distan[otui][otuj] + distan[otui][otuk] - distan[otuj][otuk]) * 0.5; bjx = distan[otui][otuj] - bix; bkx = distan[otui][otuk] - bix; ip = psotu[otui]; jp = psotu[otuj]; kp = psotu[otuk]; ip->isop = jp; jp->isop = kp; kp->isop = ip; ip->length = bix; jp->length = bjx; kp->length = bkx; ip->kinp->length = ip->length; jp->kinp->length = jp->length; kp->kinp->length = kp->length; tr->rootp = kp; free_dvector(r); free_dmatrix(distan); free((Node *) psotu); } /******************************************************************************/ /* find best assignment of rate categories */ /******************************************************************************/ /* find best assignment of rate categories */ void findbestratecombination() { int k, u; double bestvalue, fv2; dvector catprob; dmatrix cdl; cdl = Ctree->condlkl; catprob = new_dvector(numcats+1); fv2 = (1.0-fracinv)/(double) numcats; for (k = 0; k < Numptrn; k++) { /* zero rate */ if (constpat[k] == TRUE) catprob[0] = fracinv*Freqtpm[(int) Seqpat[0][k]]; else catprob[0] = 0.0; /* non-zero-rates */ for (u = 1; u < numcats+1; u++) catprob[u] = fv2*cdl[u-1][k]; /* find best */ bestvalue = catprob[0]; bestrate[k] = 0; for (u = 1; u < numcats+1; u++) if (catprob[u] >= bestvalue) { bestvalue = catprob[u]; bestrate[k] = u; } } free_dvector(catprob); bestratefound = 1; } /* print best assignment of rate categories */ void printbestratecombination(FILE *fp) { int s, k; for (s = 0; s < Maxsite; s++) { k = Alias[s]; fprintf(fp, "%2d", bestrate[k]); if ((s+1) % 30 == 0) fprintf(fp, "\n"); else if ((s+1) % 10 == 0) fprintf(fp, " "); } if (s % 70 != 0) fprintf(fp, "\n"); } /******************************************************************************/ /* computation of clocklike branch lengths */ /******************************************************************************/ /* checks wether e is a valid edge specification */ int checkedge(int e) { /* there are Numspc external branches: 0 - Numspc-1 there are Numibrnch internal branches: Numspc - Numspc+Numibrnch-1 */ if (e < 0) return FALSE; if (e < Numspc+Numibrnch) return TRUE; else return FALSE; } /* print topology of subtree */ void fputsubstree(FILE *fp, Node *ip) { Node *cp; if (ip->isop == NULL) { /* terminal nodes */ numtc += fputid(fp, ip->number); } else { cp = ip; fprintf(fp, "("); numtc += 1; do { cp = cp->isop->kinp; if (cp->isop == NULL) { /* external node */ numtc += fputid(fp, cp->number); fprintf(fp, ":%.5f", (cp->lengthc)*0.01); numtc += 7; cp = cp->kinp; } else { /* internal node */ if (cp->height > 0.0) { fprintf(fp, "("); numtc += 1; } else if (cp->height < 0.0) { fprintf(fp, ")"); numtc += 1; if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } /* internal label */ if (cp->kinp->label != NULL) { fprintf(fp, "%s", cp->kinp->label); numtc += strlen(cp->kinp->label); } if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } fprintf(fp, ":%.5f", (cp->lengthc)*0.01); numtc += 6; if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } } } if (cp->height <= 0.0 && cp->isop->height <= 0.0 && cp->isop != ip) { putc(',', fp); /* not last subtree */ numtc += 1; if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } } } while (cp->isop != ip); fprintf(fp, ")"); numtc += 1; } if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } } /* print rooted tree file */ void fputrooted(FILE *fp, int e) { Node *rootbr; /* to be called only after clocklike branch lengths have been computed */ /* pointer to root branch */ if (e < Numspc) rootbr = Ctree->ebrnchp[e]; else rootbr = Ctree->ibrnchp[e - Numspc]; fprintf(fp, "("); numtc = 2; fputsubstree(fp, rootbr); /* internal label */ if (rootbr->label != NULL) { fprintf(fp, "%s", rootbr->label); numtc += strlen(rootbr->label); } if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } fprintf(fp, ":%.5f,", (hroot - rootbr->height)*0.01); numtc += 7; if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } fputsubstree(fp, rootbr->kinp); /* internal label */ if (rootbr->kinp->label != NULL) { fprintf(fp, "%s", rootbr->kinp->label); numtc += strlen(rootbr->kinp->label); } if (numtc > 60) { fprintf(fp, "\n"); numtc = 1; } fprintf(fp, ":%.5f);\n", (hroot - rootbr->kinp->height)*0.01); } /* finds heights in subtree */ void findheights(Node *ip) { Node *cp, *rp; if (ip->isop != NULL) { /* forget terminal nodes */ cp = ip; /* initialise node */ cp->height = 1.0; /* up */ rp = cp; while (rp->isop != cp) { rp = rp->isop; rp->height = -1.0; /* down */ } do { cp = cp->isop->kinp; if (cp->isop == NULL) { /* external node */ cp = cp->kinp; } else { /* internal node */ if (cp->height == 0.0) { /* node not yet visited */ cp->height = 1.0; /* up */ rp = cp; while (rp->isop != cp) { rp = rp->isop; rp->height = -1.0; /* down */ } } else if (cp->kinp->height == 1.0) { /* cp->kinp is next height pointer */ heights[Numhts] = cp->kinp; Numhts++; } } } while (cp->isop != ip); /* ip is last height pointer */ heights[Numhts] = ip; Numhts++; } } /* initialise clocklike branch lengths (with root on edge e) */ void initclock(int e) { int n, h, count; Node *cp, *rp; double sum, minh, aveh, len; /* be sure to have a Ctree in memory and to have pairwise distances computed */ clockmode = 1; /* clocklike branch lengths */ /* least square estimate for branch length */ changedistan(Distanmat, Distanvec, Numspc); lslength(Ctree, Distanvec, Numspc, Numibrnch, Brnlength); /* pointer to root branch */ if (e < Numspc) rootbr = Ctree->ebrnchp[e]; else rootbr = Ctree->ibrnchp[e - Numspc]; /* clear all heights */ for (n = 0; n < Numspc; n++) { Ctree->ebrnchp[n]->height = 0.0; Ctree->ebrnchp[n]->kinp->height = 0.0; Ctree->ebrnchp[n]->varheight = 0.0; Ctree->ebrnchp[n]->kinp->varheight = 0.0; if (n < Numibrnch) { Ctree->ibrnchp[n]->height = 0.0; Ctree->ibrnchp[n]->kinp->height = 0.0; Ctree->ibrnchp[n]->varheight = 0.0; Ctree->ibrnchp[n]->kinp->varheight = 0.0; } } /* collect pointers to height nodes */ Numhts = 0; findheights(rootbr); /* one side */ findheights(rootbr->kinp); /* other side */ /* assign preliminary approximate heights and corresponding branch lengths */ for (h = 0; h < Numhts; h++) { cp = rp = heights[h]; sum = 0; count = 0; minh = 0.0; while (rp->isop != cp) { count++; rp = rp->isop; sum += rp->lengthc + rp->kinp->height; if (rp->kinp->height > minh) minh = rp->kinp->height; } aveh = sum / (double) count; if (aveh < minh + MINARC) aveh = minh + MINARC; cp->height = aveh; rp = cp; while (rp->isop != cp) { rp = rp->isop; len = aveh - rp->kinp->height; rp->kinp->lengthc = len; rp->lengthc = len; } } if (rootbr->height > rootbr->kinp->height) minh = rootbr->height; else minh = rootbr->kinp->height; aveh = 0.5*(rootbr->lengthc + rootbr->height + rootbr->kinp->height); if (aveh < minh + MINARC) aveh = minh + MINARC; hroot = aveh; maxhroot = RMHROOT*hroot; /* maximal possible hroot */ len = (hroot - rootbr->height) + (hroot - rootbr->kinp->height); rootbr->lengthc = len; rootbr->kinp->lengthc = len; } /* approximate likelihood under the constaining assumption of clocklike branch lengths (with root on edge e) */ double clock_alklhd(int e) { initclock(e); Ctree->lklhdc = treelkl(Ctree); return Ctree->lklhdc; } /* log-likelihood given height ht at node pointed to by chep */ double heightlkl(double ht) { Node *rp; double len; /* adjust branch lengths */ chep->height = ht; /* descendent branches */ rp = chep; while (rp->isop != chep) { rp = rp->isop; len = chep->height - rp->kinp->height; rp->kinp->lengthc = len; rp->lengthc = len; } /* upward branch */ if (chep == rootbr || chep->kinp == rootbr) { len = (hroot - chep->height) + (hroot - chep->kinp->height); chep->lengthc = len; chep->kinp->lengthc = len; } else { rp = chep->kinp; while (rp->isop->height <= 0.0) rp = rp->isop; chep->lengthc = rp->isop->height - chep->height; chep->kinp->lengthc = rp->isop->height - chep->height; } /* compute likelihood */ Ctree->lklhdc = treelkl(Ctree); return -(Ctree->lklhdc); /* we use a minimizing procedure */ } /* optimize current height */ void optheight(void) { double he, fx, f2x, minh, maxh, len; Node *rp; /* current height */ he = chep->height; /* minimum */ minh = 0.0; rp = chep; while (rp->isop != chep) { rp = rp->isop; if (rp->kinp->height > minh) minh = rp->kinp->height; } minh += MINARC; /* maximum */ if (chep == rootbr || chep->kinp == rootbr) { maxh = hroot; } else { rp = chep->kinp; while (rp->isop->height <= 0.0) rp = rp->isop; maxh = rp->isop->height; } maxh -= MINARC; /* check borders for height */ if (he < minh) he = minh; if (he > maxh) he = maxh; /* optimization */ if (!(he == minh && he == maxh)) he = onedimenmin(minh, he, maxh, heightlkl, HEPSILON, &fx, &f2x); /* variance of height */ f2x = fabs(f2x); if (1.0/(maxhroot*maxhroot) < f2x) chep->varheight = 1.0/f2x; else chep->varheight = maxhroot*maxhroot; /* adjust branch lengths */ chep->height = he; /* descendent branches */ rp = chep; while (rp->isop != chep) { rp = rp->isop; len = chep->height - rp->kinp->height; rp->kinp->lengthc = len; rp->lengthc = len; } /* upward branch */ if (chep == rootbr || chep->kinp == rootbr) { len = (hroot - chep->height) + (hroot - chep->kinp->height); chep->lengthc = len; chep->kinp->lengthc = len; } else { rp = chep->kinp; while (rp->isop->height <= 0.0) rp = rp->isop; chep->lengthc = rp->isop->height - chep->height; chep->kinp->lengthc = rp->isop->height - chep->height; } } /* log-likelihood given height ht at root */ double rheightlkl(double ht) { double len; /* adjust branch lengths */ hroot = ht; len = (hroot - rootbr->height) + (hroot - rootbr->kinp->height); rootbr->lengthc = len; rootbr->kinp->lengthc = len; /* compute likelihood */ Ctree->lklhdc = treelkl(Ctree); return -(Ctree->lklhdc); /* we use a minimizing procedure */ } /* optimize height of root */ void optrheight(void) { double he, fx, f2x, minh, len; /* current height */ he = hroot; /* minimum */ if (rootbr->height > rootbr->kinp->height) minh = rootbr->height; else minh = rootbr->kinp->height; minh += MINARC; /* check borders for height */ if (he < minh) he = minh; if (he > maxhroot) he = maxhroot; /* optimization */ he = onedimenmin(minh, he, maxhroot, rheightlkl, HEPSILON, &fx, &f2x); /* variance of height of root */ f2x = fabs(f2x); if (1.0/(maxhroot*maxhroot) < f2x) varhroot = 1.0/f2x; else varhroot = maxhroot*maxhroot; /* adjust branch lengths */ hroot = he; len = (hroot - rootbr->height) + (hroot - rootbr->kinp->height); rootbr->lengthc = len; rootbr->kinp->lengthc = len; } /* exact likelihood under the constaining assumption of clocklike branch lengths (with root on edge e) */ double clock_lklhd(int e) { int h, nconv; double old; Numitc = 0; Convergc = FALSE; initclock(e); do { Numitc++; nconv = 0; /* optimize height of root */ old = hroot; optrheight(); if (fabs(old - hroot) < HEPSILON) nconv++; /* optimize height of nodes */ for (h = Numhts-1; h >= 0; h--) { /* pointer chep to current height node */ chep = heights[h]; /* store old value */ old = chep->height; /* find better height */ optheight(); /* converged ? */ if (fabs(old - chep->height) < HEPSILON) nconv++; } if (nconv == Numhts+1) Convergc = TRUE; } while (Numitc < MAXIT && !Convergc); /* compute final likelihood */ Ctree->lklhdc = treelkl(Ctree); return Ctree->lklhdc; } /* find out the edge containing the root */ int findrootedge() { int e, ebest; double logbest, logtest; /* compute the likelihood for all edges and take the edge with best likelihood (using approximate ML) */ ebest = 0; logbest = clock_alklhd(0); numbestroot = 1; for (e = 1; e < Numspc+Numibrnch; e++) { logtest = clock_alklhd(e); if (logtest > logbest) { ebest = e; logbest = logtest; numbestroot = 1; } else if (logtest == logbest) { numbestroot++; } } return ebest; } /* show heights and corresponding standard errors */ void resultheights(FILE *fp) { int h, num; Node *cp; fprintf(fp, " height S.E. of node common to branches\n"); for (h = 0; h < Numhts; h++) { fprintf(fp, "%.5f %.5f ", (heights[h]->height)*0.01, sqrt(heights[h]->varheight)*0.01); cp = heights[h]; do { num = (cp->number) + 1; if (cp->kinp->isop != NULL) num += Numspc; /* internal branch */ fprintf(fp, "%d ", num); cp = cp->isop; } while (cp != heights[h]); fprintf(fp, "\n"); } fprintf(fp, "%.5f %.5f of root at branch %d\n", hroot*0.01, sqrt(varhroot)*0.01, locroot+1); } ./arbsrc_9167/GDE/TREEPUZZLE/src/ml3.c0000644012664100000130000001726711213220011016671 0ustar arb_buildcoders/* * ml3.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #define EXTERN extern /* prototypes */ #include #include #include #include "util.h" #include "ml.h" #include "gamma.h" /******************************************************************************/ /* discrete Gamma-distribution and related stuff */ /******************************************************************************/ /* compare general base frequencies with frequencies of taxon i with chi square */ double homogentest(int taxon) { return chi2test(Freqtpm, Basecomp[taxon], gettpmradix(), &chi2fail); } /* discrete Gamma according to Yang 1994 (JME 39:306-314) */ void YangDiscreteGamma (double shape, int c, dvector x) { double twoc, mu; int i; twoc = 2.0*c; mu = 0.0; for (i = 0; i < c; i++) { /* corresponding rates */ x[i] = icdfGamma ( (2.0*i+1.0)/twoc, shape); mu += x[i]; } mu = mu/c; /* rescale for avarage rate of 1.0 */ for (i = 0; i < c; i++) { x[i] /= mu; } } /* compute rates of each category when rates are Gamma-distributed */ void updaterates() { int i; double alpha; if (numcats == 1) { Rates[0] = 1.0; return; } if (Geta == 0.0) { for (i = 0; i < numcats; i++) Rates[i] = 1.0; return; } alpha = (1.0 - Geta)/Geta; YangDiscreteGamma (alpha, numcats, Rates); /* if invariable sites are present */ for (i = 0; i < numcats; i++) Rates[i] = Rates[i]/(1.0-fracinv); /* check for very small rates */ for (i = 0; i < numcats; i++) if (Rates[i] < 0.000001) Rates[i] = 0.000001; } /******************************************************************************/ /* parameter estimation */ /******************************************************************************/ /* compute sample mean and standard deviation of sample mean */ void computestat(double *data, int n, double *mean, double *err) { int i; double sum; sum = 0; for (i = 0; i < n; i++) sum += data[i]; (*mean) = sum/(double) n; sum = 0; for (i = 0; i < n; i++) sum += (data[i] - (*mean))*(data[i] - (*mean)); if (n != 1) (*err) = sqrt(sum)/sqrt((double)(n-1)*n); /* unbiased estimator */ else (*err) = 0.0; /* if n == 1 */ } /* compute ML value of quartet (a,b,c,d) */ double quartetml(int a, int b, int c, int d) { double d1, d2, d3; /* compute ML for all topologies */ if (approxp_optn) { /* approximate parameter mode */ d1 = quartet_alklhd(a,b,c,d); /* (a,b)-(c,d) */ d2 = quartet_alklhd(a,c,b,d); /* (a,c)-(b,d) */ d3 = quartet_alklhd(a,d,b,c); /* (a,d)-(b,c) */ } else { d1 = quartet_lklhd(a,b,c,d); /* (a,b)-(c,d) */ d2 = quartet_lklhd(a,c,b,d); /* (a,c)-(b,d) */ d3 = quartet_lklhd(a,d,b,c); /* (a,d)-(b,c) */ } /* looking for max(d1, d2, d3) */ if (d1 < d2) { /* d2 > d1 */ if (d2 < d3) { /* d3 > d2 > d1 */ /* d3 maximum */ return d3; } else { /* d2 >= d3 > d1 */ /* d2 maximum */ return d2; } } else { /* d1 >= d2 */ if (d1 < d3) { /* d3 > d1 >= d2 */ /* d3 maximum */ return d3; } else { /* d1 >= d2 && d1 >= d3 */ /* d1 maximum */ return d1; } } } /* optimization function TSparam - quartets */ double opttsq(double x) { if (x < MINTS) TSparam = MINTS; else if (x > MAXTS) TSparam = MAXTS; else TSparam = x; tranprobmat(); distupdate(qca, qcb, qcc, qcd); return (-quartetml(qca, qcb, qcc, qcd)); } /* optimization function YRparam - quartets */ double optyrq(double x) { if (x < MINYR) YRparam = MINYR; else if (x > MAXYR) YRparam = MAXYR; else YRparam = x; tranprobmat(); distupdate(qca, qcb, qcc, qcd); return (-quartetml(qca, qcb, qcc, qcd)); } /* estimate substitution process parameters - random quartets */ void optimseqevolparamsq() { double tsmeanold, yrmeanold; dvector tslist, yrlist; int fin; ivector taxon; uli minqts, maxqts, n; taxon = new_ivector(4); /* number of quartets to be investigated */ minqts = (uli) floor(0.25 * MINPERTAXUM * Maxspc) + 1; maxqts = (uli) floor(0.25 * MAXPERTAXUM * Maxspc) + 1; if (Maxspc == 4) { minqts = (uli) 1; maxqts = (uli) 1; } tslist = new_dvector(maxqts); yrlist = new_dvector(maxqts); /* initialize averages */ tsmean = TSparam; yrmean = YRparam; fin = FALSE; /* investigate maxqts random quartets */ for (n = 0; n < maxqts; n++) { /* choose random quartet */ chooser(Maxspc, 4, taxon); /* * optimize parameters on this quartet */ qca = taxon[0]; qcb = taxon[1]; qcc = taxon[2]; qcd = taxon[3]; /* initialize start values with average value */ if ((SH_optn || nuc_optn) && optim_optn && (data_optn == 0)) TSparam = tsmean; if ((nuc_optn && TN_optn) && optim_optn && (data_optn == 0)) YRparam = yrmean; /* estimation */ twodimenmin(PEPS1, (SH_optn || nuc_optn) && optim_optn && (data_optn == 0), MINTS, &TSparam, MAXTS, opttsq, &tserr, (nuc_optn && TN_optn) && optim_optn && (data_optn == 0), MINYR, &YRparam, MAXYR, optyrq, &yrerr); tsmeanold = tsmean; yrmeanold = yrmean; tslist[n] = TSparam; yrlist[n] = YRparam; computestat(tslist, n+1 , &tsmean, &tserr); computestat(yrlist, n+1 , &yrmean, &yrerr); /* check whether the means are converging */ if (n > minqts-2) { if ((fabs(tsmean-tsmeanold) < TSDIFF) && (fabs(yrmean-yrmeanold) < YRDIFF)) fin = TRUE; } /* investigate at least minqts quartets */ if (n > minqts-2 && (fin || n > maxqts-2)) break; } /* round estimated numbers to 2 digits after the decimal point */ if (tserr != 0.0) tsmean = floor(100.0*tsmean+0.5)/100.0; if (yrerr != 0.0) yrmean = floor(100.0*yrmean+0.5)/100.0; /* update ML engine */ TSparam = tsmean; YRparam = yrmean; tranprobmat(); free_ivector(taxon); } /* optimization function TSparam - tree */ double opttst(double x) { double result; if (x < MINTS) TSparam = MINTS; else if (x > MAXTS) TSparam = MAXTS; else TSparam = x; tranprobmat(); computedistan(); if (approxp_optn) result = usertree_alklhd(); else result = usertree_lklhd(); return (-result); } /* optimization function YRparam - tree */ double optyrt(double x) { double result; if (x < MINYR) YRparam = MINYR; else if (x > MAXYR) YRparam = MAXYR; else YRparam = x; tranprobmat(); computedistan(); if (approxp_optn) result = usertree_alklhd(); else result = usertree_lklhd(); return (-result); } /* optimize substitution process parameters - tree */ void optimseqevolparamst() { twodimenmin(PEPS1, (SH_optn || nuc_optn) && optim_optn && (data_optn == 0), MINTS, &TSparam, MAXTS, opttst, &tserr, (nuc_optn && TN_optn) && optim_optn && (data_optn == 0), MINYR, &YRparam, MAXYR, optyrt, &yrerr); } /* optimization function fracinv */ double optfi(double x) { double result; if (x < MINFI) fracinv = MINFI; else if (x > MAXFI) fracinv = MAXFI; else fracinv = x; computedistan(); if (approxp_optn) result = usertree_alklhd(); else result = usertree_lklhd(); return (-result); } /* optimization function Geta */ double optge(double x) { double result; if (x < MINGE) Geta = MINGE; else if (x > MAXGE) Geta = MAXGE; else Geta = x; updaterates(); computedistan(); if (approxp_optn) result = usertree_alklhd(); else result = usertree_lklhd(); return (-result); } /* optimize rate heterogeneity parameters */ void optimrateparams() { twodimenmin(PEPS2, fracinv_optim, MINFI, &fracinv, fracconst, optfi, &fierr, grate_optim, MINGE, &Geta, MAXGE, optge, &geerr); } ./arbsrc_9167/GDE/TREEPUZZLE/src/ml.h0000644012664100000130000003003511213220011016577 0ustar arb_buildcoders/* * ml.h * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #ifndef _ML_ #define _ML_ /* definitions */ #define MINTS 0.20 /* Ts/Tv parameter */ #define MAXTS 30.0 #define MINYR 0.10 /* Y/R Ts parameter */ #define MAXYR 6.00 #define MINFI 0.00 /* fraction invariable sites */ #define MAXFI 0.99 /* only for input */ #define MINGE 0.01 /* rate heterogeneity parameter */ #define MAXGE 0.99 #define MINCAT 4 /* discrete Gamma categories */ #define MAXCAT 16 #define RMHROOT 5.0 /* upper relative bound for height of root */ #define MAXARC 900.0 /* upper limit on branch length (PAM) = 6.0 */ #define MINARC 0.001 /* lower limit on branch length (PAM) = 0.00001 */ #define EPSILON 0.0001 /* error in branch length (PAM) = 0.000001 */ #define HEPSILON 0.0001 /* error in node and root heights */ #define MAXIT 100 /* maximum number of iterates of smoothing */ #define MINFDIFF 0.00002 /* lower limit on base frequency differences */ #define MINFREQ 0.0001 /* lower limit on base frequencies = 0.01% */ #define NUMQBRNCH 5 /* number of branches in a quartet */ #define NUMQIBRNCH 1 /* number of internal branches in a quartet */ #define NUMQSPC 4 /* number of sequences in a quartet */ /* 2D minimisation */ #define PEPS1 0.01 /* epsilon substitution process estimation */ #define PEPS2 0.01 /* epsilon rate heterogeneity estimation */ /* quartet series */ #define MINPERTAXUM 2 #define MAXPERTAXUM 6 #define TSDIFF 0.20 #define YRDIFF 0.10 /* type definitions */ typedef struct node { struct node *isop; struct node *kinp; int descen; int number; double length; double lengthc; double varlen; double height; double varheight; ivector paths; cvector eprob; dcube partials; /* partial likelihoods */ char *label; /* internal labels */ } Node; typedef struct tree { Node *rootp; Node **ebrnchp; /* list of pointers to external branches */ Node **ibrnchp; /* list of pointers to internal branches */ double lklhd; /* total log-likelihood */ double lklhdc; /* total log-likelihood clock */ dmatrix condlkl; /* likelihoods for each pattern and non-zero rate */ double rssleast; } Tree; /* global variables */ EXTERN Node *chep; /* pointer to current height node */ EXTERN Node *rootbr; /* pointer to root branch */ EXTERN Node **heights; /* pointer to height nodes in unrooted tree */ EXTERN int Numhts; /* number of height nodes in unrooted tree */ EXTERN double hroot; /* height of root */ EXTERN double varhroot; /* variance of height of root */ EXTERN double maxhroot; /* maximal height of root */ EXTERN int locroot; /* location of root */ EXTERN int numbestroot; /* number of best locations for root */ EXTERN int clockmode; /* clocklike vs. nonclocklike computation */ EXTERN cmatrix Identif; /* sequence names */ EXTERN cmatrix Seqchar; /* ML sequence data */ EXTERN cmatrix Seqpat; /* ordered site patterns */ EXTERN ivector constpat; /* indicates constant site patterns */ EXTERN cvector seqchi; EXTERN cvector seqchj; EXTERN dcube partiali; EXTERN dcube partialj; EXTERN dcube ltprobr; /* transition probabilites (for all non-zero rates */ EXTERN dmatrix Distanmat; /* matrix with maximum likelihood distances */ EXTERN dmatrix Evec; /* Eigenvectors */ EXTERN dmatrix Ievc; /* Inverse eigenvectors */ EXTERN double TSparam; /* Ts/Tv parameter */ EXTERN double tsmean, yrmean; EXTERN double YRparam; /* Y/R Ts parameter */ EXTERN double geerr; /* estimated error of rate heterogeneity */ EXTERN double Geta; /* rate heterogeneity parameter */ EXTERN double fracconst; /* fraction of constant sites */ EXTERN double fracconstpat;/* fraction of constant patterns */ EXTERN double Proportion; /* for tree drawing */ EXTERN double tserr; /* estimated error of TSparam */ EXTERN double yrerr; /* estimated error of YRparam */ EXTERN double fracinv; /* fraction of invariable sites */ EXTERN double fierr; /* estimated error of fracinv */ EXTERN dvector Brnlength; EXTERN dvector Distanvec; EXTERN dvector Eval; /* Eigenvalues of 1 PAM rate matrix */ EXTERN dvector Freqtpm; /* base frequencies */ EXTERN dvector Rates; /* rate of each of the categories */ EXTERN dmatrix iexp; EXTERN imatrix Basecomp; /* base composition of each taxon */ EXTERN ivector usedtaxa; /* list needed in the input treefile procedure */ EXTERN int numtc; /* auxiliary variable for printing rooted tree */ EXTERN int qcalg_optn; /* use quartet subsampling algorithm */ EXTERN int approxp_optn; /* approximate parameter estimation */ EXTERN int chi2fail; /* flag for chi2 test */ EXTERN int Converg; /* flag for ML convergence (no clock) */ EXTERN int Convergc; /* flag for ML convergence (clock) */ EXTERN int data_optn; /* type of sequence input data */ EXTERN int Dayhf_optn; /* Dayhoff model */ EXTERN int HKY_optn; /* use HKY model */ EXTERN int Jtt_optn; /* JTT model */ EXTERN int blosum62_optn; /* BLOSUM 62 model */ EXTERN int mtrev_optn; /* mtREV model */ EXTERN int cprev_optn; /* cpREV model */ EXTERN int vtmv_optn; /* VT model */ EXTERN int wag_optn; /* WAG model */ EXTERN int Maxsite; /* number of ML characters per taxum */ EXTERN int Maxspc; /* number of sequences */ EXTERN int mlmode; /* quartet ML or user defined tree ML */ EXTERN int nuc_optn; /* nucleotide (4x4) models */ EXTERN int Numbrnch; /* number of branches of current tree */ EXTERN int numcats; /* number of rate categories */ EXTERN int Numconst; /* number of constant sites */ EXTERN int Numconstpat; /* number of constant patterns */ EXTERN int Numibrnch; /* number of internal branches of current tree */ EXTERN int Numitc; /* number of ML iterations assumning clock */ EXTERN int Numit; /* number of ML iterations if there is convergence */ EXTERN int Numptrn; /* number of site patterns */ EXTERN int Numspc; /* number of sequences of current tree */ EXTERN int optim_optn; /* optimize model parameters */ EXTERN int grate_optim; /* optimize Gamma rate heterogeneity parameter */ EXTERN int SH_optn; /* SH nucleotide (16x16) model */ EXTERN int TN_optn; /* use TN model */ EXTERN int tpmradix; /* number of different states */ EXTERN int fracinv_optim; /* optimize fraction of invariable sites */ EXTERN int typ_optn; /* type of PUZZLE analysis */ EXTERN ivector Weight; /* weight of each site pattern */ EXTERN Tree *Ctree; /* pointer to current tree */ EXTERN ulivector badtaxon; /* involment of each taxon in a bad quartet */ EXTERN int qca, qcb, qcc, qcd; /* quartet currently optimized */ EXTERN ivector Alias; /* link site -> corresponding site pattern */ EXTERN ivector bestrate; /* optimal assignment of rates to sequence sites */ EXTERN int bestratefound; /* function prototypes of all ml function */ void convfreq(dvector); void a_radixsort(cmatrix, ivector, int, int, int *); void condenceseq(cmatrix, ivector, cmatrix, ivector, int, int, int); void countconstantsites(cmatrix, ivector, int, int, int *, int*); void evaluateseqs(void); void elmhes(dmatrix, ivector, int); void eltran(dmatrix, dmatrix, ivector, int); void mcdiv(double, double, double, double, double *, double *); void hqr2(int, int, int, dmatrix, dmatrix, dvector, dvector); void onepamratematrix(dmatrix); void eigensystem(dvector, dmatrix); void luinverse(dmatrix, dmatrix, int); void checkevector(dmatrix, dmatrix, int); void tranprobmat(void); void tprobmtrx(double, dmatrix); double comptotloglkl(dmatrix); void allsitelkl(dmatrix, dvector); double pairlkl(double); double mldistance(int, int); void initdistan(void); void computedistan(void); void productpartials(Node *); void partialsinternal(Node *); void partialsexternal(Node *); void initpartials(Tree *); double intlkl(double); void optinternalbranch(Node *); double extlkl(double); void optexternalbranch(Node *); void finishlkl(Node *); double optlkl(Tree *); double treelkl(Tree *); void luequation(dmatrix, dvector, int); void lslength(Tree *, dvector, int, int, dvector); void getusertree(FILE *, cvector, int); Node *internalnode(Tree *, char **, int *); void constructtree(Tree *, cvector); void removebasalbif(cvector); void makeusertree(FILE *); Tree *new_tree(int, int, cmatrix); Tree *new_quartet(int, cmatrix); void free_tree(Tree *, int); void make_quartet(int, int, int, int); void changedistan(dmatrix, dvector, int); double quartet_lklhd(int, int, int, int); double quartet_alklhd(int, int, int, int); void readusertree(FILE *); double usertree_lklhd(void); double usertree_alklhd(void); void mlstart(void); void distupdate(int, int, int, int); void mlfinish(void); void prbranch(Node *, int, int, int, ivector, ivector, FILE *); void getproportion(double *, dvector, int); void prtopology(FILE *); void fputphylogeny(FILE *); void resulttree(FILE *); void njtree(FILE *); void njdistantree(Tree *); void findbestratecombination(void); void printbestratecombination(FILE *); int checkedge(int); void fputsubstree(FILE *, Node *); void fputrooted(FILE *, int); void findheights(Node *); void initclock(int); double clock_alklhd(int); double heightlkl(double); void optheight(void); double rheightlkl(double); void optrheight(void); double clock_lklhd(int); int findrootedge(void); void resultheights(FILE *); double homogentest(int); void YangDiscreteGamma(double, int, double *); void updaterates(void); void computestat(double *, int, double *, double *); double quartetml(int, int, int, int); double opttsq(double); double optyrq(double); void optimseqevolparamsq(void); double opttst(double); double optyrt(double); void optimseqevolparamst(void); double optfi(double); double optge(double); void optimrateparams(void); int gettpmradix(void); void rtfdata(dmatrix, double *); int code2int(cvector); char *int2code(int); void jttdata(dmatrix, double *); void dyhfdata(dmatrix, double *); void mtrevdata(dmatrix, double *); void cprev45data(dmatrix, double *); void blosum62data(dmatrix, double *); void vtmvdata(dmatrix, double *); void wagdata(dmatrix, double *); #endif ./arbsrc_9167/GDE/TREEPUZZLE/src/model1.c0000644012664100000130000001656611213220011017360 0ustar arb_buildcoders/* * model1.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ /* definitions */ #define EXTERN extern /* prototypes */ #include #include "util.h" #include "ml.h" /* number of states of the selected model */ int gettpmradix() { if (data_optn == 0) { /* nucleotides */ if (nuc_optn) return 4; if (SH_optn) return 16; } else if (data_optn == 1) { /* amino acids */ return 20; } else { /* two-state model */ return 2; } return 1; } /* relative transition frequencies */ void rtfdata(dmatrix q, double *f) { double alp, alpy, alpr; int i, j; if (data_optn == 0) { /* nucleotides */ if (nuc_optn) { /* 4x4 nucleotides */ alp = 2.0*TSparam; alpr = (alp * 2.0) / (YRparam + 1.0); alpy = YRparam * alpr; q[0][1] = 1; q[0][2] = alpr; q[0][3] = 1; q[1][2] = 1; q[1][3] = alpy; q[2][3] = 1; f[0] = 0.25; f[1] = 0.25; f[2] = 0.25; f[3] = 0.25; } if (SH_optn) { /* 16x16 nucleotides */ alp = 2.0*TSparam; q[0][1] = 1; q[0][2] = alp; q[0][3] = 1; q[0][4] = 1; q[0][5] = 0; q[0][6] = 0; q[0][7] = 0; q[0][8] = alp; q[0][9] = 0; q[0][10] = 0; q[0][11] = 0; q[0][12] = 1; q[0][13] = 0; q[0][14] = 0; q[0][15] = 0; q[1][2] = 1; q[1][3] = alp; q[1][4] = 0; q[1][5] = 1; q[1][6] = 0; q[1][7] = 0; q[1][8] = 0; q[1][9] = alp; q[1][10] = 0; q[1][11] = 0; q[1][12] = 0; q[1][13] = 1; q[1][14] = 0; q[1][15] = 0; q[2][3] = 1; q[2][4] = 0; q[2][5] = 0; q[2][6] = 1; q[2][7] = 0; q[2][8] = 0; q[2][9] = 0; q[2][10] = alp; q[2][11] = 0; q[2][12] = 0; q[2][13] = 0; q[2][14] = 1; q[2][15] = 0; q[3][4] = 0; q[3][5] = 0; q[3][6] = 0; q[3][7] = 1; q[3][8] = 0; q[3][9] = 0; q[3][10] = 0; q[3][11] = alp; q[3][12] = 0; q[3][13] = 0; q[3][14] = 0; q[3][15] = 1; q[4][5] = 1; q[4][6] = alp; q[4][7] = 1; q[4][8] = 1; q[4][9] = 0; q[4][10] = 0; q[4][11] = 0; q[4][12] = alp; q[4][13] = 0; q[4][14] = 0; q[4][15] = 0; q[5][6] = 1; q[5][7] = alp; q[5][8] = 0; q[5][9] = 1; q[5][10] = 0; q[5][11] = 0; q[5][12] = 0; q[5][13] = alp; q[5][14] = 0; q[5][15] = 0; q[6][7] = 1; q[6][8] = 0; q[6][9] = 0; q[6][10] = 1; q[6][11] = 0; q[6][12] = 0; q[6][13] = 0; q[6][14] = alp; q[6][15] = 0; q[7][8] = 0; q[7][9] = 0; q[7][10] = 0; q[7][11] = 1; q[7][12] = 0; q[7][13] = 0; q[7][14] = 0; q[7][15] = alp; q[8][9] = 1; q[8][10] = alp; q[8][11] = 1; q[8][12] = 1; q[8][13] = 0; q[8][14] = 0; q[8][15] = 0; q[9][10] = 1; q[9][11] = alp; q[9][12] = 0; q[9][13] = 1; q[9][14] = 0; q[9][15] = 0; q[10][11] = 1; q[10][12] = 0; q[10][13] = 0; q[10][14] = 1; q[10][15] = 0; q[11][12] = 0; q[11][13] = 0; q[11][14] = 0; q[11][15] = 1; q[12][13] = 1; q[12][14] = alp; q[12][15] = 1; q[13][14] = 1; q[13][15] = alp; q[14][15] = 1; for (i = 0; i < 16; i++) f[i] = 0.0625; } } else if (data_optn == 1) { /* amino acids */ if (Dayhf_optn) /* Dayhoff model */ { dyhfdata(q, f); } else if (Jtt_optn) /* JTT model */ { jttdata(q, f); } else if (blosum62_optn) /* BLOSUM 62 model */ { blosum62data(q, f); } else if (mtrev_optn) /* mtREV model */ { mtrevdata(q, f); } else if (cprev_optn) /* cpREV model */ { cprev45data(q, f); } else if (vtmv_optn) /* VT model */ { vtmvdata(q, f); } else /* if (wag_optn) */ /* WAG model */ { wagdata(q, f); } } else /* two-state model */ { q[0][1] = 1.0; f[0] = 0.5; f[1] = 0.5; } /* fill matrix from upper triangle */ for (i = 0; i < tpmradix; i++) { q[i][i] = 0.0; for (j = i+1; j < tpmradix; j++) { q[j][i] = q[i][j]; } } } /* transform letter codes to state numbers */ int code2int(cvector c) { if (data_optn == 0) { /* nucleotides */ if (nuc_optn) { /* 4x4 */ switch (c[0]) { case 'A': return 0; case 'C': return 1; case 'G': return 2; case 'T': return 3; case 'U': return 3; default : return 4; } } if (SH_optn) { /* 16x16 */ if (c[0] == 'A') { switch (c[1]) { case 'A': return 0; /* AA */ case 'C': return 1; /* AC */ case 'G': return 2; /* AG */ case 'T': return 3; /* AT */ case 'U': return 3; /* AT */ default: return 16; } } if (c[0] == 'C') { switch (c[1]) { case 'A': return 4; /* CA */ case 'C': return 5; /* CC */ case 'G': return 6; /* CG */ case 'T': return 7; /* CT */ case 'U': return 7; /* CT */ default: return 16; } } if (c[0] == 'G') { switch (c[1]) { case 'A': return 8; /* GA */ case 'C': return 9; /* GC */ case 'G': return 10; /* GG */ case 'T': return 11; /* GT */ case 'U': return 11; /* GT */ default: return 16; } } if (c[0] == 'T' || c[0] == 'U') { switch (c[1]) { case 'A': return 12; /* TA */ case 'C': return 13; /* TC */ case 'G': return 14; /* TG */ case 'T': return 15; /* TT */ case 'U': return 15; /* TT */ default: return 16; } } return 16; } } else if (data_optn == 1) { /* amino acids */ switch (c[0]) { case 'A': return 0; case 'C': return 4; case 'D': return 3; case 'E': return 6; case 'F': return 13; case 'G': return 7; case 'H': return 8; case 'I': return 9; case 'K': return 11; case 'L': return 10; case 'M': return 12; case 'N': return 2; case 'P': return 14; case 'Q': return 5; case 'R': return 1; case 'S': return 15; case 'T': return 16; case 'V': return 19; case 'W': return 17; case 'Y': return 18; default : return 20; } } else { /* two-state model */ switch (c[0]) { case '0': return 0; case '1': return 1; default : return 2; } } return 0; } /* return letter code belonging to state number */ char *int2code(int s) { if (data_optn == 0) { /* nucleotides */ if (nuc_optn) { /* 4x4 */ switch (s) { case 0: return "A"; case 1: return "C"; case 2: return "G"; case 3: return "T"; default : return "?"; } } if (SH_optn) { /* 16x16 */ switch (s) { case 0: return "AA"; case 1: return "AC"; case 2: return "AG"; case 3: return "AT"; case 4: return "CA"; case 5: return "CC"; case 6: return "CG"; case 7: return "CT"; case 8: return "GA"; case 9: return "GC"; case 10: return "GG"; case 11: return "GT"; case 12: return "TA"; case 13: return "TC"; case 14: return "TG"; case 15: return "TT"; default : return "??"; } } } else if (data_optn == 1) { /* amino acids */ switch (s) { case 0: return "A"; case 1: return "R"; case 2: return "N"; case 3: return "D"; case 4: return "C"; case 5: return "Q"; case 6: return "E"; case 7: return "G"; case 8: return "H"; case 9: return "I"; case 10: return "L"; case 11: return "K"; case 12: return "M"; case 13: return "F"; case 14: return "P"; case 15: return "S"; case 16: return "T"; case 17: return "W"; case 18: return "Y"; case 19: return "V"; default : return "?"; } } else { /* two-state model */ switch (s) { case 0: return "0"; case 1: return "1"; default : return "?"; } } return "?"; } ./arbsrc_9167/GDE/TREEPUZZLE/src/model2.c0000644012664100000130000011662711213220011017360 0ustar arb_buildcoders/* * model2.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ /* definitions */ #define EXTERN extern /* prototypes */ #include #include "util.h" #include "ml.h" void jttdata(dmatrix q, double *f) { /* * JTT model for amino acid evolution * D.T. Jones, W.R. Taylor, and J.M. Thornton * "The rapid generation of mutation data matrices from protein sequences" * CABIOS vol. 8 no. 3 1992 pp. 275-282 */ q[0][1]=3.1628651460584e+00; q[0][2]=3.2804935927860e+00; q[0][3]=4.8477237048666e+00; q[0][4]=3.4612244897959e+00; q[0][5]=3.3130910900946e+00; q[0][6]=6.3199473337722e+00; q[0][7]=1.0440154440154e+01; q[0][8]=1.3061224489796e+00; q[0][9]=2.1726844583987e+00; q[0][10]=1.8443597219107e+00; q[0][11]=2.2137668626773e+00; q[0][12]=2.7210884353741e+00; q[0][13]=8.3265306122449e-01; q[0][14]=1.1537414965986e+01; q[0][15]=2.2838213546288e+01; q[0][16]=2.7007955724663e+01; q[0][17]=5.1311953352770e-01; q[0][18]=8.3673469387755e-01; q[0][19]=1.7474335188621e+01; q[1][2]=2.6598918637222e+00; q[1][3]=9.1014867485456e-01; q[1][4]=6.1624649859944e+00; q[1][5]=1.8036482885837e+01; q[1][6]=1.8924731182796e+00; q[1][7]=8.1810886516769e+00; q[1][8]=1.9119717452198e+01; q[1][9]=1.4410687351864e+00; q[1][10]=2.2211961707760e+00; q[1][11]=3.9239234676922e+01; q[1][12]=2.5060690943044e+00; q[1][13]=3.9439775910364e-01; q[1][14]=4.1953094963476e+00; q[1][15]=5.9016766126741e+00; q[1][16]=3.8437069743152e+00; q[1][17]=7.6766706682673e+00; q[1][18]=1.4173669467787e+00; q[1][19]=1.0308123249300e+00; q[2][3]=3.2226935854843e+01; q[2][4]=1.8710963455150e+00; q[2][5]=4.5351268130622e+00; q[2][6]=3.3951344979102e+00; q[2][7]=4.5987249708180e+00; q[2][8]=2.3693774375271e+01; q[2][9]=2.9235880398671e+00; q[2][10]=8.0960899565551e-01; q[2][11]=1.5024269384537e+01; q[2][12]=1.9003322259136e+00; q[2][13]=4.3853820598007e-01; q[2][14]=7.1083317047749e-01; q[2][15]=2.9456208772690e+01; q[2][16]=1.3735908553410e+01; q[2][17]=1.6706217370669e-01; q[2][18]=4.1661129568106e+00; q[2][19]=9.7452934662237e-01; q[3][4]=6.2857142857143e-01; q[3][5]=3.0662020905923e+00; q[3][6]=4.5450549450549e+01; q[3][7]=7.5402435402435e+00; q[3][8]=6.0544672718586e+00; q[3][9]=6.8808114961961e-01; q[3][10]=3.6130902064968e-01; q[3][11]=1.6718197057180e+00; q[3][12]=1.0879120879121e+00; q[3][13]=1.9340659340659e-01; q[3][14]=7.3949579831933e-01; q[3][15]=3.4196528109572e+00; q[3][16]=2.4749487800335e+00; q[3][17]=3.4536891679749e-01; q[3][18]=2.6895604395604e+00; q[3][19]=1.8608058608059e+00; q[4][5]=5.5191637630662e-01; q[4][6]=3.2442396313364e-01; q[4][7]=3.3297297297297e+00; q[4][8]=4.3726708074534e+00; q[4][9]=9.1868131868132e-01; q[4][10]=9.9466248037677e-01; q[4][11]=2.9830508474576e-01; q[4][12]=2.4095238095238e+00; q[4][13]=4.1485714285714e+00; q[4][14]=7.3949579831933e-01; q[4][15]=1.2862939958592e+01; q[4][16]=2.8125907990315e+00; q[4][17]=6.8244897959184e+00; q[4][18]=1.2885714285714e+01; q[4][19]=3.7714285714286e+00; q[5][6]=2.0316061593796e+01; q[5][7]=1.3922214897825e+00; q[5][8]=3.3861536130889e+01; q[5][9]=4.7172339855267e-01; q[5][10]=4.2320327755868e+00; q[5][11]=1.7835941652395e+01; q[5][12]=2.6573751451800e+00; q[5][13]=2.7595818815331e-01; q[5][14]=9.4992143198743e+00; q[5][15]=3.2350653941322e+00; q[5][16]=3.0973838067678e+00; q[5][17]=1.0512692882031e+00; q[5][18]=1.5331010452962e+00; q[5][19]=1.0778164924506e+00; q[6][7]=6.6857641051189e+00; q[6][8]=1.4458024443999e+00; q[6][9]=6.7068415455512e-01; q[6][10]=5.7932850559579e-01; q[6][11]=1.0365070686558e+01; q[6][12]=1.0138248847926e+00; q[6][13]=2.6359447004608e-01; q[6][14]=1.1291226167887e+00; q[6][15]=1.8337006611901e+00; q[6][16]=1.9520424900414e+00; q[6][17]=6.9519420671494e-01; q[6][18]=3.8018433179723e-01; q[6][19]=2.7772657450077e+00; q[7][8]=1.2113479939567e+00; q[7][9]=3.2670032670033e-01; q[7][10]=4.1817641817642e-01; q[7][11]=1.6354950592239e+00; q[7][12]=7.6447876447876e-01; q[7][13]=3.0579150579151e-01; q[7][14]=1.2391551215081e+00; q[7][15]=1.1138492529797e+01; q[7][16]=1.8888816176952e+00; q[7][17]=3.3491450634308e+00; q[7][18]=3.1853281853282e-01; q[7][19]=2.8416988416988e+00; q[8][9]=1.0931677018634e+00; q[8][10]=3.2194389461470e+00; q[8][11]=3.1498052426571e+00; q[8][12]=1.9130434782609e+00; q[8][13]=2.7329192546584e+00; q[8][14]=6.7304834977469e+00; q[8][15]=4.3726708074534e+00; q[8][16]=2.8162964522581e+00; q[8][17]=7.8083407275954e-01; q[8][18]=3.5118012422360e+01; q[8][19]=7.2877846790890e-01; q[9][10]=1.4069798333535e+01; q[9][11]=1.2292791953809e+00; q[9][12]=2.8366300366300e+01; q[9][13]=4.7384615384615e+00; q[9][14]=5.8780435251023e-01; q[9][15]=2.4105749323141e+00; q[9][16]=1.5243062022723e+01; q[9][17]=8.2888540031397e-01; q[9][18]=1.8434065934066e+00; q[9][19]=5.7699633699634e+01; q[10][11]=8.8039805231089e-01; q[10][12]=2.2425954997384e+01; q[10][13]=1.5099529042386e+01; q[10][14]=6.2626896912611e+00; q[10][15]=3.4917298022888e+00; q[10][16]=1.6109411169944e+00; q[10][17]=3.2366001345593e+00; q[10][18]=1.4505494505495e+00; q[10][19]=1.0557823129252e+01; q[11][12]=3.6577885391445e+00; q[11][13]=1.4915254237288e-01; q[11][14]=1.2868062479229e+00; q[11][15]=2.8162964522581e+00; q[11][16]=5.7494151926786e+00; q[11][17]=5.4790729851263e-01; q[11][18]=5.3268765133172e-01; q[11][19]=7.4899112187248e-01; q[12][13]=2.5666666666667e+00; q[12][14]=9.4491129785247e-01; q[12][15]=1.6397515527950e+00; q[12][16]=1.2180790960452e+01; q[12][17]=1.1972789115646e+00; q[12][18]=1.1130952380952e+00; q[12][19]=1.7746031746032e+01; q[13][14]=8.8739495798319e-01; q[13][15]=5.6298136645963e+00; q[13][16]=8.3099273607748e-01; q[13][17]=3.3224489795918e+00; q[13][18]=3.3392857142857e+01; q[13][19]=3.6000000000000e+00; q[14][15]=1.6261762676085e+01; q[14][16]=6.8852490148602e+00; q[14][17]=4.2256902761104e-01; q[14][18]=6.7787114845938e-01; q[14][19]=1.2549019607843e+00; q[15][16]=2.7891216619293e+01; q[15][17]=1.8740017746229e+00; q[15][18]=3.7349896480331e+00; q[15][19]=2.4182194616977e+00; q[16][17]=4.8702870978900e-01; q[16][18]=1.1985472154964e+00; q[16][19]=6.7925746569814e+00; q[17][18]=4.6020408163265e+00; q[17][19]=1.4693877551020e+00; q[18][19]=1.0000000000000e+00; f[0] = 0.077; f[1] = 0.051; f[2] = 0.043; f[3] = 0.052; f[4] = 0.02; f[5] = 0.041; f[6] = 0.062; f[7] = 0.074; f[8] = 0.023; f[9] = 0.052; f[10] = 0.091; f[11] = 0.059; f[12] = 0.024; f[13] = 0.04; f[14] = 0.051; f[15] = 0.069; f[16] = 0.059; f[17] = 0.014; f[18] = 0.032; f[19] = 0.066; } void dyhfdata(dmatrix q, double *f) { /* * Dayhoff model for amino acid evolution * Dayhoff, M.O., Schwartz, R.M., Orcutt, B.C. (1978) * "A model of evolutionary change in proteins." * Dayhoff, M.O. (ed.) Atlas of Protein Sequence Structur., Vol5, Suppl. 3, * National Biomedical Research Foundation, Washington DC, pp. 345-352. */ q[0][1]=9.6472567159749e-01; q[0][2]=3.5927991886410e+00; q[0][3]=4.3200552414656e+00; q[0][4]=1.3184584178499e+00; q[0][5]=3.2267534963169e+00; q[0][6]=7.0141987829615e+00; q[0][7]=8.5773867857875e+00; q[0][8]=8.1434196396611e-01; q[0][9]=2.3518447453539e+00; q[0][10]=1.4735711728911e+00; q[0][11]=9.3940162271805e-01; q[0][12]=2.5490196078431e+00; q[0][13]=6.5922920892495e-01; q[0][14]=8.9189834148670e+00; q[0][15]=1.4540712836859e+01; q[0][16]=1.3411904595370e+01; q[0][17]=3.8517964118027e-02; q[0][18]=8.7897227856660e-01; q[0][19]=7.4036511156187e+00; q[1][2]=1.1890243902439e+00; q[1][3]=5.9525626545377e-02; q[1][4]=8.4778922655537e-01; q[1][5]=8.8348561504191e+00; q[1][6]=5.5954088952654e-02; q[1][7]=3.1434881434075e-01; q[1][8]=8.4753987678285e+00; q[1][9]=2.2684090115941e+00; q[1][10]=5.5954088952654e-01; q[1][11]=1.6681312769010e+01; q[1][12]=3.1707317073171e+00; q[1][13]=4.8959827833572e-01; q[1][14]=3.6754156468900e+00; q[1][15]=5.4755072760812e+00; q[1][16]=9.6472567159749e-01; q[1][17]=7.5538020086083e+00; q[1][18]=2.7977044476327e-01; q[1][19]=8.6083213773314e-01; q[2][3]=3.2459324155194e+01; q[2][4]=7.3852625416383e-02; q[2][5]=3.7732198142415e+00; q[2][6]=5.3911764705882e+00; q[2][7]=5.0264375413087e+00; q[2][8]=1.9061418685121e+01; q[2][9]=2.7901430842607e+00; q[2][10]=1.2482698961938e+00; q[2][11]=1.1542279411765e+01; q[2][12]=1.9117647058824e-01; q[2][13]=5.0183823529412e-01; q[2][14]=1.5181660899654e+00; q[2][15]=1.7697478991597e+01; q[2][16]=8.3557302231237e+00; q[2][17]=8.6029411764706e-01; q[2][18]=3.4411764705882e+00; q[2][19]=5.7352941176471e-01; q[3][4]=2.5534152404601e-02; q[3][5]=4.8811013767209e+00; q[3][6]=4.0561952440551e+01; q[3][7]=4.4423506911730e+00; q[3][8]=3.0865788117500e+00; q[3][9]=8.5749078239692e-01; q[3][10]=2.5926985518518e-02; q[3][11]=2.5930851063830e+00; q[3][12]=1.1667143483333e-01; q[3][13]=1.2963492759259e-02; q[3][14]=4.7853935065891e-01; q[3][15]=3.4167709637046e+00; q[3][16]=2.3984722282163e+00; q[3][17]=3.2408731898147e-02; q[3][18]=8.1351689612015e-02; q[3][19]=6.3829787234043e-01; q[4][5]=2.1864264103535e-02; q[4][6]=1.4770525083277e-02; q[4][7]=3.9055458751427e-01; q[4][8]=1.0223340673168e+00; q[4][9]=1.5970515970516e+00; q[4][10]=3.9098448749850e-02; q[4][11]=8.0776309049169e-03; q[4][12]=1.4155086538140e-01; q[4][13]=8.6898395721925e-02; q[4][14]=6.8155604487784e-01; q[4][15]=5.8097784568373e+00; q[4][16]=5.9929928084086e-01; q[4][17]=3.4759358288770e-01; q[4][18]=3.4759358288770e+00; q[4][19]=1.7647058823529e+00; q[5][6]=2.5476780185759e+01; q[5][7]=1.0174974779977e+00; q[5][8]=2.1573939173192e+01; q[5][9]=6.5266504894988e-01; q[5][10]=2.6634492806410e+00; q[5][11]=5.5466331269350e+00; q[5][12]=4.0247678018576e+00; q[5][13]=1.8038017885416e-02; q[5][14]=5.5044618466582e+00; q[5][15]=2.0267580716497e+00; q[5][16]=1.9256432155439e+00; q[5][17]=9.6202762055552e-02; q[5][18]=1.0061919504644e-01; q[5][19]=1.2538699690402e+00; q[6][7]=2.8869795109055e+00; q[6][8]=1.5519031141869e+00; q[6][9]=2.1701112877583e+00; q[6][10]=4.0484429065744e-01; q[6][11]=2.9823529411765e+00; q[6][12]=1.0705882352941e+00; q[6][13]=1.9801735189768e-02; q[6][14]=1.7993079584775e+00; q[6][15]=2.8184873949580e+00; q[6][16]=1.2261663286004e+00; q[6][17]=7.3114099162219e-02; q[6][18]=7.6470588235294e-01; q[6][19]=1.3058823529412e+00; q[7][8]=3.7906768788150e-01; q[7][9]=2.3128004846840e-02; q[7][10]=2.5776602775942e-01; q[7][11]=9.6662260409782e-01; q[7][12]=6.0145406477198e-01; q[7][13]=5.4775280898876e-01; q[7][14]=1.2382877804129e+00; q[7][15]=8.2853366065527e+00; q[7][16]=1.1110604644803e+00; q[7][17]=1.2888301387971e-01; q[7][18]=1.7114723586662e-02; q[7][19]=1.9233311302049e+00; q[8][9]=2.7354343963341e-01; q[8][10]=1.5876246692449e+00; q[8][11]=9.6993944636678e-01; q[8][12]=1.2544085640577e-01; q[8][13]=1.6868512110727e+00; q[8][14]=3.3075513942601e+00; q[8][15]=1.2530894710826e+00; q[8][16]=8.1434196396611e-01; q[8][17]=1.0121107266436e+00; q[8][18]=4.4982698961938e+00; q[8][19]=1.5570934256055e+00; q[9][10]=9.2275320303002e+00; q[9][11]=1.6663354531002e+00; q[9][12]=1.1780604133545e+01; q[9][13]=6.9753577106518e+00; q[9][14]=4.2551201720752e-01; q[9][15]=8.8575970928912e-01; q[9][16]=6.8951811852420e+00; q[9][17]=9.8802836705702e-02; q[9][18]=1.3434022257552e+00; q[9][19]=3.1526232114467e+01; q[10][11]=6.5787197231834e-01; q[10][12]=1.8622837370242e+01; q[10][13]=5.6340830449827e+00; q[10][14]=1.1377976796255e+00; q[10][15]=6.1690558576372e-01; q[10][16]=1.2098794893211e+00; q[10][17]=1.7543252595156e+00; q[10][18]=1.0346020761246e+00; q[10][19]=6.2906574394464e+00; q[11][12]=8.6029411764706e+00; q[11][13]=6.6640454965565e-03; q[11][14]=1.2089100346021e+00; q[11][15]=3.4411764705882e+00; q[11][16]=4.9442190669371e+00; q[11][17]=3.4272233982290e-02; q[11][18]=4.7794117647059e-01; q[11][19]=3.7500000000000e-01; q[12][13]=3.2500000000000e+00; q[12][14]=5.9976931949250e-01; q[12][15]=2.1848739495798e+00; q[12][16]=3.6916835699797e+00; q[12][17]=1.6247577591604e-01; q[12][18]=1.1508700794053e-01; q[12][19]=9.0588235294118e+00; q[13][14]=3.9359861591695e-01; q[13][15]=1.6386554621849e+00; q[13][16]=4.9442190669371e-01; q[13][17]=2.8676470588235e+00; q[13][18]=2.4852941176471e+01; q[13][19]=4.4117647058824e-01; q[14][15]=8.6431043005437e+00; q[14][16]=2.8308077795013e+00; q[14][17]=3.5840244687362e-02; q[14][18]=4.3804743506776e-02; q[14][19]=1.7301038062284e+00; q[15][16]=1.9663865546218e+01; q[15][17]=2.7857142857143e+00; q[15][18]=1.2016806722689e+00; q[15][19]=1.0840336134454e+00; q[16][17]=4.2019597219666e-02; q[16][18]=1.5162271805274e+00; q[16][19]=5.6592292089249e+00; q[17][18]=2.2941176470588e+00; q[17][19]=1.2654363316538e-01; q[18][19]=1.0000000000000e+00; f[0] = 0.087; f[1] = 0.041; f[2] = 0.040; f[3] = 0.047; f[4] = 0.033; f[5] = 0.038; f[6] = 0.05; f[7] = 0.089; f[8] = 0.034; f[9] = 0.037; f[10] = 0.085; f[11] = 0.08; f[12] = 0.015; f[13] = 0.04; f[14] = 0.051; f[15] = 0.07; f[16] = 0.058; f[17] = 0.01; f[18] = 0.03; f[19] = 0.065; } void mtrevdata(dmatrix q, double *f) { /* * mtREV24 model of amino acid evolution * (complete sequence data of mtDNA from 24 vertebrate species) * Adachi, J. and Hasegawa, M. (1996) */ q[0][1]=1.2199217606346e+01; q[0][2]=1.4182139942122e+01; q[0][3]=9.2985091873208e+00; q[0][4]=3.1542792981957e+01; q[0][5]=1.0025852846688e+00; q[0][6]=5.1418866803338e+00; q[0][7]=6.3531246495131e+01; q[0][8]=7.3137132861715e+00; q[0][9]=5.0782382656186e+01; q[0][10]=1.3399741808481e+01; q[0][11]=4.4021672780560e+00; q[0][12]=7.4673480520104e+01; q[0][13]=3.3513021631978e+00; q[0][14]=2.8582502221773e+01; q[0][15]=2.0413623195312e+02; q[0][16]=2.5301305153906e+02; q[0][17]=1.0000000000000e+00; q[0][18]=3.4084158197615e+00; q[0][19]=1.0266468401249e+02; q[1][2]=6.9661274444534e+00; q[1][3]=1.0000000000000e+00; q[1][4]=5.4384584796568e+01; q[1][5]=1.1631134513343e+02; q[1][6]=1.0000000000000e+00; q[1][7]=1.2122831341194e+01; q[1][8]=8.6961067087353e+01; q[1][9]=1.0000000000000e+00; q[1][10]=8.1976829394538e+00; q[1][11]=7.4423215395318e+01; q[1][12]=1.0000000000000e+00; q[1][13]=2.4659158338099e+00; q[1][14]=1.2439947713615e+01; q[1][15]=3.1791814866372e+00; q[1][16]=1.0935327216119e+00; q[1][17]=1.1550775790126e+01; q[1][18]=1.0000000000000e+00; q[1][19]=4.0211417480338e+00; q[2][3]=4.1809325468160e+02; q[2][4]=3.1020979842967e+01; q[2][5]=9.1349622725361e+01; q[2][6]=3.3185663516310e+01; q[2][7]=2.8052324651124e+01; q[2][8]=2.6112087577885e+02; q[2][9]=1.4261453863336e+01; q[2][10]=7.9775653461977e+00; q[2][11]=3.2036829276162e+02; q[2][12]=3.4424354918739e+01; q[2][13]=7.9996445145608e+00; q[2][14]=3.8586541461044e+01; q[2][15]=2.6020426225852e+02; q[2][16]=1.2550758780474e+02; q[2][17]=5.6207759736659e+00; q[2][18]=1.0071406219571e+02; q[2][19]=1.0000000000000e+00; q[3][4]=1.0000000000000e+00; q[3][5]=2.9097352675564e+01; q[3][6]=3.0713149855302e+02; q[3][7]=2.9877072751897e+01; q[3][8]=5.9995408885817e+01; q[3][9]=2.2827096245105e+00; q[3][10]=1.0000000000000e+00; q[3][11]=1.2183938185384e+00; q[3][12]=1.0000000000000e+00; q[3][13]=2.6221929413096e+00; q[3][14]=7.0708004204733e+00; q[3][15]=3.6327934317139e+01; q[3][16]=1.4743408713748e+01; q[3][17]=1.0453246057102e+01; q[3][18]=1.1165627147496e+01; q[3][19]=1.0000000000000e+00; q[4][5]=3.9599394038972e+01; q[4][6]=1.0000000000000e+00; q[4][7]=1.6163581056674e+01; q[4][8]=7.4467985406234e+01; q[4][9]=3.3018175376623e+01; q[4][10]=1.3500725995091e+01; q[4][11]=1.0000000000000e+00; q[4][12]=3.2504095376923e+00; q[4][13]=3.7264767083096e+01; q[4][14]=1.6454136037822e+01; q[4][15]=1.4581783243113e+02; q[4][16]=9.4720031458442e+01; q[4][17]=1.7684087896962e+01; q[4][18]=1.3409157685926e+02; q[4][19]=1.0000000000000e+00; q[5][6]=1.6503249008836e+02; q[5][7]=3.5530760735494e+00; q[5][8]=3.0652523140859e+02; q[5][9]=4.3905393139325e+00; q[5][10]=2.0895470525345e+01; q[5][11]=2.4504076430724e+02; q[5][12]=2.4931300477797e+01; q[5][13]=1.0059428264289e+01; q[5][14]=7.2256314165467e+01; q[5][15]=2.8480937892158e+01; q[5][16]=4.9962974409828e+01; q[5][17]=1.0000000000000e+00; q[5][18]=2.0430790980529e+01; q[5][19]=9.9986289000676e+00; q[6][7]=1.4884496769963e+01; q[6][8]=2.5853576435567e+01; q[6][9]=1.7418201388328e+00; q[6][10]=1.0000000000000e+00; q[6][11]=1.6519126809071e+02; q[6][12]=1.0000000000000e+00; q[6][13]=1.4067850525292e+00; q[6][14]=6.7547121641947e+00; q[6][15]=2.8794794140840e+01; q[6][16]=7.8001372062558e+00; q[6][17]=1.0000000000000e+00; q[6][18]=6.9067239183061e+00; q[6][19]=1.1127702362585e+01; q[7][8]=1.0000000000000e+00; q[7][9]=3.1466649021550e+00; q[7][10]=1.2699794194865e+00; q[7][11]=1.1962111069278e+01; q[7][12]=1.0000000000000e+00; q[7][13]=1.0000000000000e+00; q[7][14]=1.0000000000000e+00; q[7][15]=6.6277950574411e+01; q[7][16]=5.8800079133028e+00; q[7][17]=5.7494182626674e+00; q[7][18]=1.6887657206208e+00; q[7][19]=1.3320553471351e+00; q[8][9]=6.4536986087271e+00; q[8][10]=6.0472584534958e+00; q[8][11]=6.7197196398961e+01; q[8][12]=6.2977633277779e+00; q[8][13]=2.5347805183364e+01; q[8][14]=3.2089868698728e+01; q[8][15]=4.0766987134407e+01; q[8][16]=2.3570850628539e+01; q[8][17]=3.7286635325194e+00; q[8][18]=3.5270764890474e+02; q[8][19]=1.0000000000000e+00; q[9][10]=1.7320653206333e+02; q[9][11]=1.0298655619743e+01; q[9][12]=2.7262244199514e+02; q[9][13]=4.4561065036310e+01; q[9][14]=1.0856482766156e+01; q[9][15]=2.5107659603898e+01; q[9][16]=1.9391167162525e+02; q[9][17]=1.0000000000000e+00; q[9][18]=1.3161329199391e+01; q[9][19]=6.4365086389428e+02; q[10][11]=7.8314019154706e+00; q[10][12]=2.8290920517725e+02; q[10][13]=1.1371735519833e+02; q[10][14]=2.1105885757279e+01; q[10][15]=3.8741359395934e+01; q[10][16]=6.6524559321657e+01; q[10][17]=1.7071378554833e+01; q[10][18]=2.3234516108847e+01; q[10][19]=4.8247261078055e+01; q[11][12]=4.8092094826036e+01; q[11][13]=3.3887559483420e+00; q[11][14]=2.6368577564199e+01; q[11][15]=5.5679895711418e+01; q[11][16]=7.1750284708933e+01; q[11][17]=1.2631893872825e+01; q[11][18]=2.6932728996777e+01; q[11][19]=1.0000000000000e+00; q[12][13]=4.7798798034572e+01; q[12][14]=9.9165053447429e+00; q[12][15]=5.8505442466161e+01; q[12][16]=2.7798190504760e+02; q[12][17]=1.1427000119701e+01; q[12][18]=2.1029990530586e+01; q[12][19]=2.0397078683768e+02; q[13][14]=9.1089574817139e+00; q[13][15]=3.3835737720574e+01; q[13][16]=1.7815549567056e+01; q[13][17]=4.1272404968214e+00; q[13][18]=2.4504156395152e+02; q[13][19]=3.3435675442163e+00; q[14][15]=8.9421193040709e+01; q[14][16]=6.7485067008375e+01; q[14][17]=2.2161693733113e+00; q[14][18]=8.5338209390745e+00; q[14][19]=4.3342126659660e+00; q[15][16]=3.1432036618746e+02; q[15][17]=2.0305343047059e+01; q[15][18]=3.4167877957799e+01; q[15][19]=1.0000000000000e+00; q[16][17]=5.2559565123081e+00; q[16][18]=2.0382362288681e+01; q[16][19]=1.0765527137500e+02; q[17][18]=1.3814733274637e+01; q[17][19]=2.8259139240676e+00; q[18][19]=1.0000000000000e+00; /* amino acid frequencies */ f[0]=0.072; f[1]=0.019; f[2]=0.039; f[3]=0.019; f[4]=0.006; f[5]=0.025; f[6]=0.024; f[7]=0.056; f[8]=0.028; f[9]=0.088; f[10]=0.168; f[11]=0.023; f[12]=0.054; f[13]=0.061; f[14]=0.054; f[15]=0.072; f[16]=0.086; f[17]=0.029; f[18]=0.033; f[19]=0.043; } void blosum62data(dmatrix q, double *f) { /* * BLOSUM62 model of amino acid evolution * * S. Henikoff and J. G. Henikoff. 1992. PNAS USA 89:10915-10919. * */ q[0][1]=7.3579038969751e-01; q[0][2]=4.8539105546575e-01; q[0][3]=5.4316182089867e-01; q[0][4]=1.4599953104700e+00; q[0][5]=1.1997057046020e+00; q[0][6]=1.1709490427999e+00; q[0][7]=1.9558835749595e+00; q[0][8]=7.1624144499779e-01; q[0][9]=6.0589900368677e-01; q[0][10]=8.0001653051838e-01; q[0][11]=1.2952012667833e+00; q[0][12]=1.2537582666635e+00; q[0][13]=4.9296467974759e-01; q[0][14]=1.1732759009239e+00; q[0][15]=4.3250926870566e+00; q[0][16]=1.7291780194850e+00; q[0][17]=4.6583936772479e-01; q[0][18]=7.1820669758623e-01; q[0][19]=2.1877745220045e+00; q[1][2]=1.2974467051337e+00; q[1][3]=5.0096440855513e-01; q[1][4]=2.2782657420895e-01; q[1][5]=3.0208336100636e+00; q[1][6]=1.3605741904203e+00; q[1][7]=4.1876330851753e-01; q[1][8]=1.4561411663360e+00; q[1][9]=2.3203644514174e-01; q[1][10]=6.2271166969249e-01; q[1][11]=5.4111151414889e+00; q[1][12]=9.8369298745695e-01; q[1][13]=3.7164469320875e-01; q[1][14]=4.4813366171831e-01; q[1][15]=1.1227831042096e+00; q[1][16]=9.1466595456337e-01; q[1][17]=4.2638231012175e-01; q[1][18]=7.2051744121611e-01; q[1][19]=4.3838834377202e-01; q[2][3]=3.1801000482161e+00; q[2][4]=3.9735894989702e-01; q[2][5]=1.8392161469920e+00; q[2][6]=1.2404885086396e+00; q[2][7]=1.3558723444845e+00; q[2][8]=2.4145014342081e+00; q[2][9]=2.8301732627800e-01; q[2][10]=2.1188815961519e-01; q[2][11]=1.5931370434574e+00; q[2][12]=6.4844127878707e-01; q[2][13]=3.5486124922252e-01; q[2][14]=4.9488704370192e-01; q[2][15]=2.9041016564560e+00; q[2][16]=1.8981736345332e+00; q[2][17]=1.9148204624678e-01; q[2][18]=5.3822251903674e-01; q[2][19]=3.1285879799342e-01; q[3][4]=2.4083661480204e-01; q[3][5]=1.1909457033960e+00; q[3][6]=3.7616252083685e+00; q[3][7]=7.9847324896839e-01; q[3][8]=7.7814266402188e-01; q[3][9]=4.1855573246161e-01; q[3][10]=2.1813157759360e-01; q[3][11]=1.0324479249521e+00; q[3][12]=2.2262189795786e-01; q[3][13]=2.8173069420651e-01; q[3][14]=7.3062827299842e-01; q[3][15]=1.5827541420653e+00; q[3][16]=9.3418750943056e-01; q[3][17]=1.4534504627853e-01; q[3][18]=2.6142220896504e-01; q[3][19]=2.5812928941763e-01; q[4][5]=3.2980150463028e-01; q[4][6]=1.4074889181440e-01; q[4][7]=4.1820319228376e-01; q[4][8]=3.5405810983129e-01; q[4][9]=7.7489402279418e-01; q[4][10]=8.3184264014158e-01; q[4][11]=2.8507880090648e-01; q[4][12]=7.6768882347954e-01; q[4][13]=4.4133747118660e-01; q[4][14]=3.5600849876863e-01; q[4][15]=1.1971884150942e+00; q[4][16]=1.1198313585160e+00; q[4][17]=5.2766441887169e-01; q[4][18]=4.7023773369610e-01; q[4][19]=1.1163524786062e+00; q[5][6]=5.5289191779282e+00; q[5][7]=6.0984630538281e-01; q[5][8]=2.4353411311401e+00; q[5][9]=2.3620245120365e-01; q[5][10]=5.8073709318144e-01; q[5][11]=3.9452776745146e+00; q[5][12]=2.4948960771127e+00; q[5][13]=1.4435695975031e-01; q[5][14]=8.5857057567418e-01; q[5][15]=1.9348709245965e+00; q[5][16]=1.2774802945956e+00; q[5][17]=7.5865380864172e-01; q[5][18]=9.5898974285014e-01; q[5][19]=5.3078579012486e-01; q[6][7]=4.2357999217628e-01; q[6][8]=1.6268910569817e+00; q[6][9]=1.8684804693170e-01; q[6][10]=3.7262517508685e-01; q[6][11]=2.8024271516787e+00; q[6][12]=5.5541539747043e-01; q[6][13]=2.9140908416530e-01; q[6][14]=9.2656393484598e-01; q[6][15]=1.7698932389373e+00; q[6][16]=1.0710972360073e+00; q[6][17]=4.0763564893830e-01; q[6][18]=5.9671930034577e-01; q[6][19]=5.2425384633796e-01; q[7][8]=5.3985912495418e-01; q[7][9]=1.8929629237636e-01; q[7][10]=2.1772115923623e-01; q[7][11]=7.5204244030271e-01; q[7][12]=4.5943617357855e-01; q[7][13]=3.6816646445253e-01; q[7][14]=5.0408659952683e-01; q[7][15]=1.5093262532236e+00; q[7][16]=6.4143601140497e-01; q[7][17]=5.0835892463812e-01; q[7][18]=3.0805573703500e-01; q[7][19]=2.5334079019018e-01; q[8][9]=2.5271844788492e-01; q[8][10]=3.4807220979697e-01; q[8][11]=1.0225070358890e+00; q[8][12]=9.8431152535870e-01; q[8][13]=7.1453370392764e-01; q[8][14]=5.2700733915060e-01; q[8][15]=1.1170297629105e+00; q[8][16]=5.8540709022472e-01; q[8][17]=3.0124860078016e-01; q[8][18]=4.2189539693890e+00; q[8][19]=2.0155597175031e-01; q[9][10]=3.8909637733035e+00; q[9][11]=4.0619358664202e-01; q[9][12]=3.3647977631042e+00; q[9][13]=1.5173593259539e+00; q[9][14]=3.8835540920564e-01; q[9][15]=3.5754441245967e-01; q[9][16]=1.1790911972601e+00; q[9][17]=3.4198578754023e-01; q[9][18]=6.7461709322842e-01; q[9][19]=8.3118394054582e+00; q[10][11]=4.4557027426059e-01; q[10][12]=6.0305593795716e+00; q[10][13]=2.0648397032375e+00; q[10][14]=3.7455568747097e-01; q[10][15]=3.5296918452729e-01; q[10][16]=9.1525985769421e-01; q[10][17]=6.9147463459998e-01; q[10][18]=8.1124585632307e-01; q[10][19]=2.2314056889131e+00; q[11][12]=1.0730611843319e+00; q[11][13]=2.6692475051102e-01; q[11][14]=1.0473834507215e+00; q[11][15]=1.7521659178195e+00; q[11][16]=1.3038752007987e+00; q[11][17]=3.3224304063396e-01; q[11][18]=7.1799348690032e-01; q[11][19]=4.9813847530407e-01; q[12][13]=1.7738551688305e+00; q[12][14]=4.5412362510273e-01; q[12][15]=9.1872341574605e-01; q[12][16]=1.4885480537218e+00; q[12][17]=8.8810109815193e-01; q[12][18]=9.5168216224591e-01; q[12][19]=2.5758507553153e+00; q[13][14]=2.3359790962888e-01; q[13][15]=5.4002764482413e-01; q[13][16]=4.8820611879305e-01; q[13][17]=2.0743248934965e+00; q[13][18]=6.7472604308008e+00; q[13][19]=8.3811961017754e-01; q[14][15]=1.1691295777157e+00; q[14][16]=1.0054516831488e+00; q[14][17]=2.5221483002727e-01; q[14][18]=3.6940531935451e-01; q[14][19]=4.9690841067567e-01; q[15][16]=5.1515562922704e+00; q[15][17]=3.8792562209837e-01; q[15][18]=7.9675152076106e-01; q[15][19]=5.6192545744165e-01; q[16][17]=5.1312812689059e-01; q[16][18]=8.0101024319939e-01; q[16][19]=2.2530740511763e+00; q[17][18]=4.0544190065580e+00; q[17][19]=2.6650873142646e-01; q[18][19]=1.0000000000000e+00; f[0]=0.074; f[1]=0.052; f[2]=0.045; f[3]=0.054; f[4]=0.025; f[5]=0.034; f[6]=0.054; f[7]=0.074; f[8]=0.026; f[9]=0.068; f[10]=0.099; f[11]=0.058; f[12]=0.025; f[13]=0.047; f[14]=0.039; f[15]=0.057; f[16]=0.051; f[17]=0.013; f[18]=0.032; f[19]=0.073; } void vtmvdata(dmatrix q, double *f) { /* * variable time (VT) model for amino acid evolution * Mueller, T. and Vingron, M. (1999) * "Modeling Amino Acid Replacement" * Journal of Comp. Biology */ /* amino acid frequencies */ f[0]=0.078837 ; f[1]=0.051238 ; f[2]=0.042313 ; f[3]=0.053066 ; f[4]=0.015175 ; f[5]=0.036713 ; f[6]=0.061924 ; f[7]=0.070852 ; f[8]=0.023082 ; f[9]=0.062056 ; f[10]=0.096371 ; f[11]=0.057324 ; f[12]=0.023771 ; f[13]=0.043296 ; f[14]=0.043911 ; f[15]=0.063403 ; f[16]=0.055897 ; f[17]=0.013272 ; f[18]=0.034399 ; f[19]=0.073101 ; q[0][1] = 0.233108 ; q[0][2] = 0.199097 ; q[0][3] = 0.265145 ; q[0][4] = 0.227333 ; q[0][5] = 0.310084 ; q[0][6] = 0.567957 ; q[0][7] = 0.876213 ; q[0][8] = 0.078692 ; q[0][9] = 0.222972 ; q[0][10] = 0.424630 ; q[0][11] = 0.393245 ; q[0][12] = 0.211550 ; q[0][13] = 0.116646 ; q[0][14] = 0.399143 ; q[0][15] = 1.817198 ; q[0][16] = 0.877877 ; q[0][17] = 0.030309 ; q[0][18] = 0.087061 ; q[0][19] = 1.230985 ; q[1][2] = 0.210797 ; q[1][3] = 0.105191 ; q[1][4] = 0.031726 ; q[1][5] = 0.493763 ; q[1][6] = 0.255240 ; q[1][7] = 0.156945 ; q[1][8] = 0.213164 ; q[1][9] = 0.081510 ; q[1][10] = 0.192364 ; q[1][11] = 1.755838 ; q[1][12] = 0.087930 ; q[1][13] = 0.042569 ; q[1][14] = 0.128480 ; q[1][15] = 0.292327 ; q[1][16] = 0.204109 ; q[1][17] = 0.046417 ; q[1][18] = 0.097010 ; q[1][19] = 0.113146 ; q[2][3] = 0.883422 ; q[2][4] = 0.027495 ; q[2][5] = 0.275700 ; q[2][6] = 0.270417 ; q[2][7] = 0.362028 ; q[2][8] = 0.290006 ; q[2][9] = 0.087225 ; q[2][10] = 0.069245 ; q[2][11] = 0.503060 ; q[2][12] = 0.057420 ; q[2][13] = 0.039769 ; q[2][14] = 0.083956 ; q[2][15] = 0.847049 ; q[2][16] = 0.471268 ; q[2][17] = 0.010459 ; q[2][18] = 0.093268 ; q[2][19] = 0.049824 ; q[3][4] = 0.010313 ; q[3][5] = 0.205842 ; q[3][6] = 1.599461 ; q[3][7] = 0.311718 ; q[3][8] = 0.134252 ; q[3][9] = 0.011720 ; q[3][10] = 0.060863 ; q[3][11] = 0.261101 ; q[3][12] = 0.012182 ; q[3][13] = 0.016577 ; q[3][14] = 0.160063 ; q[3][15] = 0.461519 ; q[3][16] = 0.178197 ; q[3][17] = 0.011393 ; q[3][18] = 0.051664 ; q[3][19] = 0.048769 ; q[4][5] = 0.004315 ; q[4][6] = 0.005321 ; q[4][7] = 0.050876 ; q[4][8] = 0.016695 ; q[4][9] = 0.046398 ; q[4][10] = 0.091709 ; q[4][11] = 0.004067 ; q[4][12] = 0.023690 ; q[4][13] = 0.051127 ; q[4][14] = 0.011137 ; q[4][15] = 0.175270 ; q[4][16] = 0.079511 ; q[4][17] = 0.007732 ; q[4][18] = 0.042823 ; q[4][19] = 0.163831 ; q[5][6] = 0.960976 ; q[5][7] = 0.128660 ; q[5][8] = 0.315521 ; q[5][9] = 0.054602 ; q[5][10] = 0.243530 ; q[5][11] = 0.738208 ; q[5][12] = 0.120801 ; q[5][13] = 0.026235 ; q[5][14] = 0.156570 ; q[5][15] = 0.358017 ; q[5][16] = 0.248992 ; q[5][17] = 0.021248 ; q[5][18] = 0.062544 ; q[5][19] = 0.112027 ; q[6][7] = 0.250447 ; q[6][8] = 0.104458 ; q[6][9] = 0.046589 ; q[6][10] = 0.151924 ; q[6][11] = 0.888630 ; q[6][12] = 0.058643 ; q[6][13] = 0.028168 ; q[6][14] = 0.205134 ; q[6][15] = 0.406035 ; q[6][16] = 0.321028 ; q[6][17] = 0.018844 ; q[6][18] = 0.055200 ; q[6][19] = 0.205868 ; q[7][8] = 0.058131 ; q[7][9] = 0.051089 ; q[7][10] = 0.087056 ; q[7][11] = 0.193243 ; q[7][12] = 0.046560 ; q[7][13] = 0.050143 ; q[7][14] = 0.124492 ; q[7][15] = 0.612843 ; q[7][16] = 0.136266 ; q[7][17] = 0.023990 ; q[7][18] = 0.037568 ; q[7][19] = 0.082579 ; q[8][9] = 0.020039 ; q[8][10] = 0.103552 ; q[8][11] = 0.153323 ; q[8][12] = 0.021157 ; q[8][13] = 0.079807 ; q[8][14] = 0.078892 ; q[8][15] = 0.167406 ; q[8][16] = 0.101117 ; q[8][17] = 0.020009 ; q[8][18] = 0.286027 ; q[8][19] = 0.068575 ; q[9][10] = 2.089890 ; q[9][11] = 0.093181 ; q[9][12] = 0.493845 ; q[9][13] = 0.321020 ; q[9][14] = 0.054797 ; q[9][15] = 0.081567 ; q[9][16] = 0.376588 ; q[9][17] = 0.034954 ; q[9][18] = 0.086237 ; q[9][19] = 3.654430 ; q[10][11] = 0.201204 ; q[10][12] = 1.105667 ; q[10][13] = 0.946499 ; q[10][14] = 0.169784 ; q[10][15] = 0.214977 ; q[10][16] = 0.243227 ; q[10][17] = 0.083439 ; q[10][18] = 0.189842 ; q[10][19] = 1.337571 ; q[11][12] = 0.096474 ; q[11][13] = 0.038261 ; q[11][14] = 0.212302 ; q[11][15] = 0.400072 ; q[11][16] = 0.446646 ; q[11][17] = 0.023321 ; q[11][18] = 0.068689 ; q[11][19] = 0.144587 ; q[12][13] = 0.173052 ; q[12][14] = 0.010363 ; q[12][15] = 0.090515 ; q[12][16] = 0.184609 ; q[12][17] = 0.022019 ; q[12][18] = 0.073223 ; q[12][19] = 0.307309 ; q[13][14] = 0.042564 ; q[13][15] = 0.138119 ; q[13][16] = 0.085870 ; q[13][17] = 0.128050 ; q[13][18] = 0.898663 ; q[13][19] = 0.247329 ; q[14][15] = 0.430431 ; q[14][16] = 0.207143 ; q[14][17] = 0.014584 ; q[14][18] = 0.032043 ; q[14][19] = 0.129315 ; q[15][16] = 1.767766 ; q[15][17] = 0.035933 ; q[15][18] = 0.121979 ; q[15][19] = 0.127700 ; q[16][17] = 0.020437 ; q[16][18] = 0.094617 ; q[16][19] = 0.740372 ; q[17][18] = 0.124746 ; q[17][19] = 0.022134 ; q[18][19] = 0.125733 ; } /* * WAG matrix: Simon Whelan and Nick Goldman * */ void wagdata(dmatrix q, double *f) { /* * WAG model of amino acid evolution * * S. Whelan and N. Goldman. 2000. In prep. * * presented at the MASAMB-X workshop in Cambridge * * Whelan, S., and N. Goldman. 2000. * The WAG amino acid rate matrix. * Manuscript in prep. */ /* Q matrix */ q[0][1] = 0.610810; q[0][2] = 0.569079; q[0][3] = 0.821500; q[0][4] = 1.141050; q[0][5] = 1.011980; q[0][6] = 1.756410; q[0][7] = 1.572160; q[0][8] = 0.354813; q[0][9] = 0.219023; q[0][10] = 0.443935; q[0][11] = 1.005440; q[0][12] = 0.989475; q[0][13] = 0.233492; q[0][14] = 1.594890; q[0][15] = 3.733380; q[0][16] = 2.349220; q[0][17] = 0.125227; q[0][18] = 0.268987; q[0][19] = 2.221870; q[1][2] = 0.711690; q[1][3] = 0.165074; q[1][4] = 0.585809; q[1][5] = 3.360330; q[1][6] = 0.488649; q[1][7] = 0.650469; q[1][8] = 2.362040; q[1][9] = 0.206722; q[1][10] = 0.551450; q[1][11] = 5.925170; q[1][12] = 0.758446; q[1][13] = 0.116821; q[1][14] = 0.753467; q[1][15] = 1.357640; q[1][16] = 0.613776; q[1][17] = 1.294610; q[1][18] = 0.423612; q[1][19] = 0.280336; q[2][3] = 6.013660; q[2][4] = 0.296524; q[2][5] = 1.716740; q[2][6] = 1.056790; q[2][7] = 1.253910; q[2][8] = 4.378930; q[2][9] = 0.615636; q[2][10] = 0.147156; q[2][11] = 3.334390; q[2][12] = 0.224747; q[2][13] = 0.110793; q[2][14] = 0.217538; q[2][15] = 4.394450; q[2][16] = 2.257930; q[2][17] = 0.078463; q[2][18] = 1.208560; q[2][19] = 0.221176; q[3][4] = 0.033379; q[3][5] = 0.691268; q[3][6] = 6.833400; q[3][7] = 0.961142; q[3][8] = 1.032910; q[3][9] = 0.043523; q[3][10] = 0.093930; q[3][11] = 0.533362; q[3][12] = 0.116813; q[3][13] = 0.052004; q[3][14] = 0.472601; q[3][15] = 1.192810; q[3][16] = 0.417372; q[3][17] = 0.146348; q[3][18] = 0.363243; q[3][19] = 0.169417; q[4][5] = 0.109261; q[4][6] = 0.023920; q[4][7] = 0.341086; q[4][8] = 0.275403; q[4][9] = 0.189890; q[4][10] = 0.428414; q[4][11] = 0.083649; q[4][12] = 0.437393; q[4][13] = 0.441300; q[4][14] = 0.122303; q[4][15] = 1.560590; q[4][16] = 0.570186; q[4][17] = 0.795736; q[4][18] = 0.604634; q[4][19] = 1.114570; q[5][6] = 6.048790; q[5][7] = 0.366510; q[5][8] = 4.749460; q[5][9] = 0.131046; q[5][10] = 0.964886; q[5][11] = 4.308310; q[5][12] = 1.705070; q[5][13] = 0.110744; q[5][14] = 1.036370; q[5][15] = 1.141210; q[5][16] = 0.954144; q[5][17] = 0.243615; q[5][18] = 0.252457; q[5][19] = 0.333890; q[6][7] = 0.630832; q[6][8] = 0.635025; q[6][9] = 0.141320; q[6][10] = 0.172579; q[6][11] = 2.867580; q[6][12] = 0.353912; q[6][13] = 0.092310; q[6][14] = 0.755791; q[6][15] = 0.782467; q[6][16] = 0.914814; q[6][17] = 0.172682; q[6][18] = 0.217549; q[6][19] = 0.655045; q[7][8] = 0.276379; q[7][9] = 0.034151; q[7][10] = 0.068651; q[7][11] = 0.415992; q[7][12] = 0.194220; q[7][13] = 0.055288; q[7][14] = 0.273149; q[7][15] = 1.486700; q[7][16] = 0.251477; q[7][17] = 0.374321; q[7][18] = 0.114187; q[7][19] = 0.209108; q[8][9] = 0.152215; q[8][10] = 0.555096; q[8][11] = 0.992083; q[8][12] = 0.450867; q[8][13] = 0.756080; q[8][14] = 0.771387; q[8][15] = 0.822459; q[8][16] = 0.525511; q[8][17] = 0.289998; q[8][18] = 4.290350; q[8][19] = 0.131869; q[9][10] = 3.517820; q[9][11] = 0.360574; q[9][12] = 4.714220; q[9][13] = 1.177640; q[9][14] = 0.111502; q[9][15] = 0.353443; q[9][16] = 1.615050; q[9][17] = 0.234326; q[9][18] = 0.468951; q[9][19] = 8.659740; q[10][11] = 0.287583; q[10][12] = 5.375250; q[10][13] = 2.348200; q[10][14] = 0.462018; q[10][15] = 0.382421; q[10][16] = 0.364222; q[10][17] = 0.740259; q[10][18] = 0.443205; q[10][19] = 1.997370; q[11][12] = 1.032220; q[11][13] = 0.098843; q[11][14] = 0.619503; q[11][15] = 1.073780; q[11][16] = 1.537920; q[11][17] = 0.152232; q[11][18] = 0.147411; q[11][19] = 0.342012; q[12][13] = 1.320870; q[12][14] = 0.194864; q[12][15] = 0.556353; q[12][16] = 1.681970; q[12][17] = 0.570369; q[12][18] = 0.473810; q[12][19] = 2.282020; q[13][14] = 0.179896; q[13][15] = 0.606814; q[13][16] = 0.191467; q[13][17] = 1.699780; q[13][18] = 7.154480; q[13][19] = 0.725096; q[14][15] = 1.786490; q[14][16] = 0.885349; q[14][17] = 0.156619; q[14][18] = 0.239607; q[14][19] = 0.351250; q[15][16] = 4.847130; q[15][17] = 0.578784; q[15][18] = 0.872519; q[15][19] = 0.258861; q[16][17] = 0.126678; q[16][18] = 0.325490; q[16][19] = 1.547670; q[17][18] = 2.763540; q[17][19] = 0.409817; q[18][19] = 0.347826; /* original frequencies */ f[ 0] = 0.0866; f[ 1] = 0.0440; f[ 2] = 0.0391; f[ 3] = 0.0570; f[ 4] = 0.0193; f[ 5] = 0.0367; f[ 6] = 0.0581; f[ 7] = 0.0833; f[ 8] = 0.0244; f[ 9] = 0.0485; f[10] = 0.0862; f[11] = 0.0620; f[12] = 0.0195; f[13] = 0.0384; f[14] = 0.0458; f[15] = 0.0695; f[16] = 0.0610; f[17] = 0.0144; f[18] = 0.0353; f[19] = 0.0709; } void cprev45data(dmatrix q, double *f) { /* cpREV45 model of amino acid evolution * Adachi, J., P.J. Waddell, W. Martin, and M. Hasegawa. 2000. * J. Mol. Evol. 50:348-358 * (reconstructed from 45 chloroplast genomes) */ q[0][1] = 105; q[0][2] = 227; q[0][3] = 175; q[0][4] = 669; q[0][5] = 157; q[0][6] = 499; q[0][7] = 665; q[0][8] = 66; q[0][9] = 145; q[0][10] = 197; q[0][11] = 236; q[0][12] = 185; q[0][13] = 68; q[0][14] = 490; q[0][15] = 2440; q[0][16] = 1340; q[0][17] = 14; q[0][18] = 56; q[0][19] = 968; q[1][2] = 357; q[1][3] = 43; q[1][4] = 823; q[1][5] = 1745; q[1][6] = 152; q[1][7] = 243; q[1][8] = 715; q[1][9] = 136; q[1][10] = 203; q[1][11] = 4482; q[1][12] = 125; q[1][13] = 53; q[1][14] = 87; q[1][15] = 385; q[1][16] = 314; q[1][17] = 230; q[1][18] = 323; q[1][19] = 92; q[2][3] = 4435; q[2][4] = 538; q[2][5] = 768; q[2][6] = 1055; q[2][7] = 653; q[2][8] = 1405; q[2][9] = 168; q[2][10] = 113; q[2][11] = 2430; q[2][12] = 61; q[2][13] = 97; q[2][14] = 173; q[2][15] = 2085; q[2][16] = 1393; q[2][17] = 40; q[2][18] = 754; q[2][19] = 83; q[3][4] = 10; q[3][5] = 400; q[3][6] = 3691; q[3][7] = 431; q[3][8] = 331; q[3][9] = 10; q[3][10] = 10; q[3][11] = 412; q[3][12] = 47; q[3][13] = 22; q[3][14] = 170; q[3][15] = 590; q[3][16] = 266; q[3][17] = 18; q[3][18] = 281; q[3][19] = 75; q[4][5] = 10; q[4][6] = 10; q[4][7] = 303; q[4][8] = 441; q[4][9] = 280; q[4][10] = 396; q[4][11] = 48; q[4][12] = 159; q[4][13] = 726; q[4][14] = 285; q[4][15] = 2331; q[4][16] = 576; q[4][17] = 435; q[4][18] = 1466; q[4][19] = 592; q[5][6] = 3122; q[5][7] = 133; q[5][8] = 1269; q[5][9] = 92; q[5][10] = 286; q[5][11] = 3313; q[5][12] = 202; q[5][13] = 10; q[5][14] = 323; q[5][15] = 396; q[5][16] = 241; q[5][17] = 53; q[5][18] = 391; q[5][19] = 54; q[6][7] = 379; q[6][8] = 162; q[6][9] = 148; q[6][10] = 82; q[6][11] = 2629; q[6][12] = 113; q[6][13] = 145; q[6][14] = 185; q[6][15] = 568; q[6][16] = 369; q[6][17] = 63; q[6][18] = 142; q[6][19] = 200; q[7][8] = 19; q[7][9] = 40; q[7][10] = 20; q[7][11] = 263; q[7][12] = 21; q[7][13] = 25; q[7][14] = 28; q[7][15] = 691; q[7][16] = 92; q[7][17] = 82; q[7][18] = 10; q[7][19] = 91; q[8][9] = 29; q[8][10] = 66; q[8][11] = 305; q[8][12] = 10; q[8][13] = 127; q[8][14] = 152; q[8][15] = 303; q[8][16] = 32; q[8][17] = 69; q[8][18] = 1971; q[8][19] = 25; q[9][10] = 1745; q[9][11] = 345; q[9][12] = 1772; q[9][13] = 454; q[9][14] = 117; q[9][15] = 216; q[9][16] = 1040; q[9][17] = 42; q[9][18] = 89; q[9][19] = 4797; q[10][11] = 218; q[10][12] = 1351; q[10][13] = 1268; q[10][14] = 219; q[10][15] = 516; q[10][16] = 156; q[10][17] = 159; q[10][18] = 189; q[10][19] = 865; q[11][12] = 193; q[11][13] = 72; q[11][14] = 302; q[11][15] = 868; q[11][16] = 918; q[11][17] = 10; q[11][18] = 247; q[11][19] = 249; q[12][13] = 327; q[12][14] = 100; q[12][15] = 93; q[12][16] = 645; q[12][17] = 86; q[12][18] = 215; q[12][19] = 475; q[13][14] = 43; q[13][15] = 487; q[13][16] = 148; q[13][17] = 468; q[13][18] = 2370; q[13][19] = 317; q[14][15] = 1202; q[14][16] = 260; q[14][17] = 49; q[14][18] = 97; q[14][19] = 122; q[15][16] = 2151; q[15][17] = 73; q[15][18] = 522; q[15][19] = 167; q[16][17] = 29; q[16][18] = 71; q[16][19] = 760; q[17][18] = 346; q[17][19] = 10; q[18][19] = 119; f[0] = 0.076; f[1] = 0.062; f[2] = 0.041; f[3] = 0.037; f[4] = 0.009; f[5] = 0.038; f[6] = 0.049; f[7] = 0.084; f[8] = 0.025; f[9] = 0.081; f[10] = 0.101; f[11] = 0.050; f[12] = 0.022; f[13] = 0.051; f[14] = 0.043; f[15] = 0.062; f[16] = 0.054; f[17] = 0.018; f[18] = 0.031; f[19] = 0.066; } ./arbsrc_9167/GDE/TREEPUZZLE/src/ppuzzle.c0000644012664100000130000021521411213220011017677 0ustar arb_buildcoders/* * ppuzzle.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #define EXTERN extern #include #include #include "ppuzzle.h" int PP_IamMaster; int PP_IamSlave; int PP_Myid; int PP_MyMaster; int PP_NumProcs; MPI_Comm PP_Comm; int *freeslaves; /* Queue of free slaves */ int firstslave, /* headpointer of queue */ lastslave; /* tailpointer of queue */ int *permutsent, *permutrecved, *quartsent, *quartrecved, *doquartsent, *doquartrecved, *splitsent, *splitrecved, *permutsentn, *permutrecvedn, *quartsentn, *quartrecvedn, *doquartsentn, *doquartrecvedn, *splitsentn, *splitrecvedn; double *walltimes, *cputimes; double *fullwalltimes, *fullcputimes; double *altwalltimes, *altcputimes; int PP_permutsent = 0; /* # of */ int PP_permutrecved = 0; /* # of */ int PP_quartsent = 0; /* # of */ int PP_quartrecved = 0; /* # of */ int PP_doquartsent = 0; /* # of */ int PP_doquartrecved = 0; /* # of */ int PP_splitsent = 0; /* # of */ int PP_splitrecved = 0; /* # of */ int PP_permutsentn = 0; /* # of */ int PP_permutrecvedn = 0; /* # of */ int PP_quartsentn = 0; /* # of */ int PP_quartrecvedn = 0; /* # of */ int PP_doquartsentn = 0; /* # of */ int PP_doquartrecvedn = 0; /* # of */ int PP_splitsentn = 0; /* # of */ int PP_splitrecvedn = 0; /* # of */ double PP_starttime = 0, PP_stoptime = 0, PP_inittime = 0, PP_paramcomptime = 0, PP_paramsendtime = 0, PP_quartcomptime = 0, PP_quartsendtime = 0, PP_puzzletime = 0, PP_treetime = 0, PP_lasttime = 0; int PP_MaxSlave = 0; /********************************************************************* * miscellaneous utilities * *********************************************************************/ int dcmp(const void *a, const void *b) { if (*(double *)a > *(double *)b) return (-1); else if (*(double *)a < *(double *)b) return 1; else return 0; } /******************/ void PP_cmpd(int rank, double a, double b) { if (a != b) FPRINTF(STDOUTFILE "(%2d) *** %.3f != %.3f\n", rank, a, b); } /******************/ void PP_cmpi(int rank, int a, int b) { if (a != b) FPRINTF(STDOUTFILE "(%2d) *** %d != %d\n", rank, a, b); } /******************/ double PP_timer() { double tmptime; if (PP_lasttime == 0) { PP_lasttime = MPI_Wtime(); return(0); } else { tmptime = PP_lasttime; PP_lasttime = MPI_Wtime(); return(PP_lasttime - tmptime); } } /******************/ void PP_Printerror(FILE *of, int id, int err) { char errstr[MPI_MAX_ERROR_STRING]; int errstrlen; if ((err > MPI_SUCCESS) && (err <= MPI_ERR_LASTCODE)) { MPI_Error_string(err, errstr, &errstrlen); fprintf(of, "(%2d) MPI ERROR %d : %s\n", id, err, errstr); } else { if (err == MPI_SUCCESS) fprintf(of, "(%2d) MPI ERROR %d : No error\n", id, err); else fprintf(of, "(%2d) MPI ERROR %d : unknown error number\n", id, err); } } /* PP_Printerror */ /******************/ void PP_Printbiparts(cmatrix biparts) { int n1, n2; for (n1=0; n1<(Maxspc-3); n1++) { if (n1==0) FPRINTF(STDOUTFILE "(%2d) bipartition : ", PP_Myid); else FPRINTF(STDOUTFILE "(%2d) : ", PP_Myid); for (n2=0; n2= qnum) while ((lowval > qnum)) { dd -= 1; lowval = (uli) dd*(dd-1)*(dd-2)*(dd-3)/24; } else { while (highval <= qnum) { dd += 1; highval = (uli) (dd+1)*dd*(dd-1)*(dd-2)/24; } lowval = (uli) dd*(dd-1)*(dd-2)*(dd-3)/24; } qnum -= lowval; if (qnum > 0) { temp = (double)(6 * qnum); temp = pow(temp, (double)(1/3)); cc = (uli) floor(temp); if (cc < 2) cc= 2; lowval = (uli) cc*(cc-1)*(cc-2)/6; highval = (uli) (cc+1)*cc*(cc-1)/6; if (lowval >= qnum) while ((lowval > qnum)) { cc -= 1; lowval = (uli) cc*(cc-1)*(cc-2)/6; } else { while (highval <= qnum) { cc += 1; highval = (uli) (cc+1)*cc*(cc-1)/6; } lowval = (uli) cc*(cc-1)*(cc-2)/6; } qnum -= lowval; if (qnum > 0) { temp = (double)(2 * qnum); temp = sqrt(temp); bb = (uli) floor(temp); if (bb < 1) bb= 1; lowval = (uli) bb*(bb-1)/2; highval = (uli) (bb+1)*bb/2; if (lowval >= qnum) while ((lowval > qnum)) { bb -= 1; lowval = (uli) bb*(bb-1)/2; } else { while (highval <= qnum) { bb += 1; highval = (uli) (bb+1)*bb/2; } lowval = (uli) bb*(bb-1)/2; } qnum -= lowval; if (qnum > 0) { aa = (uli) qnum; if (aa < 0) aa= 0; } } } *d = (int)dd; *c = (int)cc; *b = (int)bb; *a = (int)aa; } /* num2quart */ /******************/ uli numquarts(int maxspc) { uli tmp; int a, b, c, d; if (maxspc < 4) return (uli)0; else { maxspc--; a = maxspc-3; b = maxspc-2; c = maxspc-1; d = maxspc; tmp = (uli) 1 + a + (uli) b * (b-1) / 2 + (uli) c * (c-1) * (c-2) / 6 + (uli) d * (d-1) * (d-2) * (d-3) / 24; return (tmp); } } /* numquarts */ /******************/ uli quart2num (int a, int b, int c, int d) { uli tmp; if ((a>b) || (b>c) || (c>d)) { fprintf(stderr, "Error PP5 not (%d <= %d <= %d <= %d) !!!\n", a, b, c, d); exit (1); } tmp = (uli) a + (uli) b * (b-1) / 2 + (uli) c * (c-1) * (c-2) / 6 + (uli) d * (d-1) * (d-2) * (d-3) / 24; return (tmp); } /* quart2num */ #endif /******************/ /********************************************************************* * queue for storing the ranks of slaves waiting for work * *********************************************************************/ void PP_initslavequeue() { int n; freeslaves = new_ivector(PP_NumProcs); firstslave = 0; PP_MaxSlave = PP_NumProcs-1; lastslave = PP_MaxSlave-1; freeslaves[PP_MaxSlave] = PP_MaxSlave; for (n=0; n 900) { /* every 900 seconds */ /* percentage of completed trees */ if (mflag == 0) { FPRINTF(STDOUTFILE "\n"); mflag = 1; } tc2 = 100.0*Currtrial/Numtrial + 100.0*nq/Numquartets/Numtrial; mintogo = (100.0-tc2) * (double) (time2-time0)/60.0/tc2; hours = floor(mintogo/60.0); minutes = mintogo - 60.0*hours; FPRINTF(STDOUTFILE "%2.2f%%", tc2); FPRINTF(STDOUTFILE " completed (remaining"); FPRINTF(STDOUTFILE " time: %.0f", hours); FPRINTF(STDOUTFILE " hours %.0f", minutes); FPRINTF(STDOUTFILE " minutes)\n"); time1 = time2; } # endif /* SEQUENTIAL */ } /* find out which edge has the lowest edgeinfo */ minimumedgeinfo(); /* add the next leaf on minedge */ addnextleaf(minedge); } /* compute bipartitions of current tree */ computebiparts(); #if PARALLEL if (PP_IamMaster) makenewsplitentries(); # else makenewsplitentries(); # endif { int *ctree, startnode; char *trstr; ctree = initctree(); copytree(ctree); startnode = sortctree(ctree); trstr=sprintfctree(ctree, psteptreestrlen); (void) addtree2list(&trstr, 1, &psteptreelist, &psteptreenum, &psteptreesum); # ifdef PVERBOSE2 /* fprintf(STDOUT, "%s\n", trstr); */ printfpstrees(psteptreelist); # endif freectree(&ctree); } /* free tree before building the next tree */ freetree(); } /* PP_slave_do_puzzling */ /******************/ void PP_do_puzzling(ivector trueID) { int dest; # if PARALLEL dest = PP_getslave(); PP_SendPermut(dest, Maxspc, trueID); # endif /* initialize tree */ inittree(); PP_RecvSplits(Maxspc, biparts); # ifdef PVERBOSE3 PP_Printbiparts(biparts); # endif /* PVERBOSE3 */ makenewsplitentries(); /* free tree before building the next tree */ freetree(); } /* PP_do_puzzling */ /******************/ void PP_do_write_quart(int e, int f, int g, int h, double d1, double d2, double d3, uli *numbq, uli *bqarr) { double lhs[3], temp, wlist[6], plist[6]; unsigned char qpbranching; int badquartet; lhs[0] = d1; lhs[1] = d2; lhs[2] = d3; badquartet = FALSE; /* compute Bayesian weights */ temp = (lhs[0] + lhs[1] + lhs[2])/3.0; lhs[0] = exp(lhs[0] - temp); lhs[1] = exp(lhs[1] - temp); lhs[2] = exp(lhs[2] - temp); temp = lhs[0] + lhs[1] + lhs[2]; wlist[0] = lhs[0] / temp; wlist[1] = 1.0; wlist[2] = lhs[1] / temp; wlist[3] = 2.0; wlist[4] = lhs[2] / temp; wlist[5] = 4.0; /* sort in descending order */ qsort(wlist, 3, 2*sizeof(double), dcmp); /* check out the three possibilities */ /* 100 distribution */ plist[0] = (1.0 - wlist[0])*(1.0 - wlist[0]) + (0.0 - wlist[2])*(0.0 - wlist[2]) + (0.0 - wlist[4])*(0.0 - wlist[4]); plist[1] = wlist[1]; /* 110 distribution */ plist[2] = (0.5 - wlist[0])*(0.5 - wlist[0]) + (0.5 - wlist[2])*(0.5 - wlist[2]) + (0.0 - wlist[4])*(0.0 - wlist[4]); plist[3] = wlist[1] + wlist[3]; /* 111 distribution */ temp = 1.0/3.0; plist[4] = (temp - wlist[0])*(temp - wlist[0]) + (temp - wlist[2])*(temp - wlist[2]) + (temp - wlist[4])*(temp - wlist[4]); plist[5] = wlist[1] + wlist[3] + wlist[5]; /* sort in descending order */ qsort(plist, 3, 2*sizeof(double), dcmp); qpbranching = (unsigned char) plist[5]; writequartet(e, f, g, h, qpbranching); /* a bad quartet is a quartet that shows equal weights for all three possible topologies */ if (qpbranching == 7) badquartet = TRUE; if (badquartet) { bqarr[(*numbq)++] = quart2num(e, f, g, h); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) bad quartet: %d %d %d %d -> %ld\n", PP_Myid, e, f, g, h, quart2num(e, f, g, h)); # endif /* PVERBOSE3 */ badqs++; badtaxon[e]++; badtaxon[f]++; badtaxon[g]++; badtaxon[h]++; } /* if badquartet */ } /* PP_do_write_quart */ /********************************************************************* * sending/receiving the important sizes and parameter (M->S) * *********************************************************************/ void PP_SendSizes(int mspc, int msite, int ncats, int nptrn, int rad, int outgr, double frconst, int rseed) { # define NUMINT 7 # define NUMDBL 1 int ints[NUMINT]; double doubles[NUMDBL]; MPI_Datatype Dtypes[2] = {MPI_INT, MPI_DOUBLE}; int Dtypelens[2] = {NUMINT , NUMDBL}; MPI_Aint Dtypeaddr[2]; MPI_Datatype PP_Sizes; int dest; int error; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: Maxspc=%d Maxsite=%d numcats=%d\n", PP_Myid, mspc, msite, ncats); FPRINTF(STDOUTFILE "(%2d) Numprtn=%d tpmradix=%d fracconst=%.3f\n", PP_Myid, nptrn, rad, frconst); # endif /* PVERBOSE2 */ ints[0] = mspc; ints[1] = msite; ints[2] = ncats; ints[3] = nptrn; ints[4] = rad; ints[5] = outgr; ints[6] = rseed; doubles[0] = frconst; MPI_Address(ints, Dtypeaddr); MPI_Address(doubles, (Dtypeaddr+1)); MPI_Type_struct(2, Dtypelens, Dtypeaddr, Dtypes, &PP_Sizes); MPI_Type_commit(&PP_Sizes); for (dest=1; dest (%2d) Sent Sizes\n", PP_Myid, dest); # endif /* PVERBOSE3 */ } /* for each slave */ MPI_Type_free(&PP_Sizes); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent Sizes\n", PP_Myid); # endif /* PVERBOSE3 */ # undef NUMINT # undef NUMDBL } /* PP_SendSizes */ /******************/ void PP_RecvSizes(int *mspc, int *msite, int *ncats, int *nptrn, int *rad, int *outgr, double *frconst, int *rseed) { # define NUMINT 7 # define NUMDBL 1 int ints[NUMINT]; double doubles[NUMDBL]; MPI_Datatype Dtypes[2] = {MPI_INT, MPI_DOUBLE}; int Dtypelens[2] = {NUMINT , NUMDBL}; MPI_Aint Dtypeaddr[2]; MPI_Datatype PP_Sizes; MPI_Status stat; int error; # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) Receiving Sizes ...\n", PP_Myid); # endif /* PVERBOSE3 */ MPI_Address(ints, Dtypeaddr); MPI_Address(doubles, (Dtypeaddr+1)); MPI_Type_struct(2, Dtypelens, Dtypeaddr, Dtypes, &PP_Sizes); MPI_Type_commit(&PP_Sizes); error = MPI_Probe(PP_MyMaster, MPI_ANY_TAG, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 700+PP_Myid, error); if (stat.MPI_TAG != PP_SIZES) { if (stat.MPI_TAG == PP_DONE) { PP_RecvDone(); # ifdef PVERBOSE1 FPRINTF(STDOUTFILE "(%2d) Finishing...\n", PP_Myid); # endif /* PVERBOSE1 */ MPI_Finalize(); exit(1); } else { FPRINTF(STDOUTFILE "(%2d) Error: unexpected TAG received...\n", PP_Myid); MPI_Finalize(); exit(1); } } error = MPI_Recv(MPI_BOTTOM, 1, PP_Sizes, PP_MyMaster, MPI_ANY_TAG, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 700+PP_Myid, error); if (stat.MPI_TAG != PP_SIZES) { FPRINTF(STDOUTFILE "(%2d) Error: unexpected TAG received...\n", PP_Myid); MPI_Finalize(); exit(1); } *mspc = ints[0]; *msite = ints[1]; *ncats = ints[2]; *nptrn = ints[3]; *rad = ints[4]; *outgr = ints[5]; *rseed = ints[6]; *frconst = doubles[0]; MPI_Type_free(&PP_Sizes); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) <- (%2d) Received: Maxspec=%d Maxsite=%d numcats=%d\n", PP_Myid, PP_MyMaster, *mspc, *msite, *ncats); FPRINTF(STDOUTFILE "(%2d) Numprtn=%d tpmradix=%d fracconst=%.3f\n", PP_Myid, *nptrn, *rad, *frconst); # endif /* PVERBOSE2 */ # undef NUMINT # undef NUMDBL } /* PP_RecvSizes */ /********************************************************************* * sending/receiving the data matrices (M->S) * *********************************************************************/ void PP_RecvData( cmatrix Seqpat, /* cmatrix (Maxspc x Numptrn) */ ivector Alias, /* ivector (Maxsite) */ ivector Weight, /* ivector (Numptrn) */ ivector constpat, dvector Rates, /* dvector (numcats) */ dvector Eval, /* dvector (tpmradix) */ dvector Freqtpm, dmatrix Evec, /* dmatrix (tpmradix x tpmradix) */ dmatrix Ievc, dmatrix iexp, dmatrix Distanmat, /* dmatrix (Maxspc x Maxspc) */ dcube ltprobr) /* dcube (numcats x tpmradix x tpmradix) */ { MPI_Datatype Dtypes[12]; int Dtypelens[12]; MPI_Aint Dtypeaddr[12]; MPI_Datatype PP_Data; MPI_Status stat; int error; # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) Receiving Sizes ...\n", PP_Myid); # endif /* PVERBOSE2 */ Dtypes [0] = MPI_CHAR; Dtypelens [0] = Maxspc * Numptrn; MPI_Address(&(Seqpat[0][0]), &(Dtypeaddr[0])); Dtypes [1] = MPI_INT; Dtypelens [1] = Maxsite ; MPI_Address(&(Alias[0]), &(Dtypeaddr[1])); Dtypes [2] = MPI_INT; Dtypelens [2] = Numptrn ; MPI_Address(&(Weight[0]), &(Dtypeaddr[2])); Dtypes [3] = MPI_INT; Dtypelens [3] = Numptrn ; MPI_Address(&(constpat[0]), &(Dtypeaddr[3])); Dtypes [4] = MPI_DOUBLE; Dtypelens [4] = numcats ; MPI_Address(&(Rates[0]), &(Dtypeaddr[4])); Dtypes [5] = MPI_DOUBLE; Dtypelens [5] = tpmradix ; MPI_Address(&(Eval[0]), &(Dtypeaddr[5])); Dtypes [6] = MPI_DOUBLE; Dtypelens [6] = tpmradix ; MPI_Address(&(Freqtpm[0]), &(Dtypeaddr[6])); Dtypes [7] = MPI_DOUBLE; Dtypelens [7] = tpmradix * tpmradix ; MPI_Address(&(Evec[0][0]), &(Dtypeaddr[7])); Dtypes [8] = MPI_DOUBLE; Dtypelens [8] = tpmradix * tpmradix ; MPI_Address(&(Ievc[0][0]), &(Dtypeaddr[8])); Dtypes [9] = MPI_DOUBLE; Dtypelens [9] = tpmradix * tpmradix ; MPI_Address(&(iexp[0][0]), &(Dtypeaddr[9])); Dtypes [10] = MPI_DOUBLE; Dtypelens [10] = Maxspc * Maxspc ; MPI_Address(&(Distanmat[0][0]), &(Dtypeaddr[10])); Dtypes [11] = MPI_DOUBLE; Dtypelens [11] = numcats * tpmradix * tpmradix ; MPI_Address(&(ltprobr[0][0][0]), &(Dtypeaddr[11])); MPI_Type_struct(12, Dtypelens, Dtypeaddr, Dtypes, &PP_Data); MPI_Type_commit(&PP_Data); error = MPI_Probe(PP_MyMaster, MPI_ANY_TAG, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 700+PP_Myid, error); if (stat.MPI_TAG != PP_DATA) { if (stat.MPI_TAG == PP_DONE) { PP_RecvDone(); # ifdef PVERBOSE1 FPRINTF(STDOUTFILE "(%2d) Finishing...\n", PP_Myid); # endif /* PVERBOSE1 */ MPI_Finalize(); exit(1); } else { FPRINTF(STDOUTFILE "(%2d) Error: unexpected TAG received...\n", PP_Myid); MPI_Finalize(); exit(1); } } error = MPI_Recv(MPI_BOTTOM, 1, PP_Data, PP_MyMaster, PP_DATA, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 900+PP_Myid, error); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) <- (%2d) Received : Alias(0)=%d - Weight(0)=%d - constpat(0)=%d\n", PP_Myid, PP_MyMaster, Alias[0], Weight[0], constpat[0]); FPRINTF(STDOUTFILE "(%2d) Rates(0)=%.3f - Eval(0)=%.3f - Freqtpm(0)=%.3f\n", PP_Myid, Rates[0], Eval[0], Freqtpm[0]); FPRINTF(STDOUTFILE "(%2d) Evec(0,0)=%.3f - Ievc(0,0)=%.3f - iexp(0,0)=%.3f - Distanmat(0,1)=%.3f\n", PP_Myid, Evec[0][0], Ievc[0][0], iexp[0][0], Distanmat[0][1]); FPRINTF(STDOUTFILE "(%2d) Distanmat(0,1)=%.3f\n", PP_Myid, Distanmat[0][1]); FPRINTF(STDOUTFILE "(%2d) ltprobr(0,0,0)=%.3f\n", PP_Myid, ltprobr[0][0][0]); # endif /* PVERBOSE2 */ MPI_Type_free(&PP_Data); } /* PP_RecvData */ /******************/ void PP_SendData( cmatrix Seqpat, /* cmatrix (Maxspc x Numptrn) */ ivector Alias, /* ivector (Maxsite) */ ivector Weight, /* ivector (Numptrn) */ ivector constpat, dvector Rates, /* dvector (numcats) */ dvector Eval, /* dvector (tpmradix) */ dvector Freqtpm, dmatrix Evec, /* dmatrix (tpmradix x tpmradix) */ dmatrix Ievc, dmatrix iexp, dmatrix Distanmat, /* dmatrix (Maxspc x Maxspc) */ dcube ltprobr) /* dcube (numcats x tpmradix x tpmradix) */ { MPI_Datatype Dtypes[12]; int Dtypelens[12]; MPI_Aint Dtypeaddr[12]; MPI_Datatype PP_Data; int dest; int error; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: Alias(0)=%d - Weight(0)=%d - constpat(0)=%d\n", PP_Myid, Alias[0], Weight[0], constpat[0]); FPRINTF(STDOUTFILE "(%2d) Rates(0)=%.3f - Eval(0)=%.3f - Freqtpm(0)=%.3f\n", PP_Myid, Rates[0], Eval[0], Freqtpm[0]); FPRINTF(STDOUTFILE "(%2d) Evec(0,0)=%.3f - Ievc(0,0)=%.3f - iexp(0,0)=%.3f - Distanmat(0,1)=%.3f\n", PP_Myid, Evec[0][0], Ievc[0][0], iexp[0][0], Distanmat[0][1]); FPRINTF(STDOUTFILE "(%2d) ltprobr(0,0,0)=%.3f\n", PP_Myid, ltprobr[0][0][0]); # endif /* PVERBOSE2 */ Dtypes [0] = MPI_CHAR; Dtypelens [0] = Maxspc * Numptrn; MPI_Address(&(Seqpat[0][0]), &(Dtypeaddr[0])); Dtypes [1] = MPI_INT; Dtypelens [1] = Maxsite ; MPI_Address(&(Alias[0]), &(Dtypeaddr[1])); Dtypes [2] = MPI_INT; Dtypelens [2] = Numptrn ; MPI_Address(&(Weight[0]), &(Dtypeaddr[2])); Dtypes [3] = MPI_INT; Dtypelens [3] = Numptrn ; MPI_Address(&(constpat[0]), &(Dtypeaddr[3])); Dtypes [4] = MPI_DOUBLE; Dtypelens [4] = numcats ; MPI_Address(&(Rates[0]), &(Dtypeaddr[4])); Dtypes [5] = MPI_DOUBLE; Dtypelens [5] = tpmradix ; MPI_Address(&(Eval[0]), &(Dtypeaddr[5])); Dtypes [6] = MPI_DOUBLE; Dtypelens [6] = tpmradix ; MPI_Address(&(Freqtpm[0]), &(Dtypeaddr[6])); Dtypes [7] = MPI_DOUBLE; Dtypelens [7] = tpmradix * tpmradix ; MPI_Address(&(Evec[0][0]), &(Dtypeaddr[7])); Dtypes [8] = MPI_DOUBLE; Dtypelens [8] = tpmradix * tpmradix ; MPI_Address(&(Ievc[0][0]), &(Dtypeaddr[8])); Dtypes [9] = MPI_DOUBLE; Dtypelens [9] = tpmradix * tpmradix ; MPI_Address(&(iexp[0][0]), &(Dtypeaddr [9])); Dtypes [10] = MPI_DOUBLE; Dtypelens [10] = Maxspc * Maxspc ; MPI_Address(&(Distanmat[0][0]), &(Dtypeaddr[10])); Dtypes [11] = MPI_DOUBLE; Dtypelens [11] = numcats * tpmradix * tpmradix ; MPI_Address(&(ltprobr[0][0][0]), &(Dtypeaddr[11])); MPI_Type_struct(12, Dtypelens, Dtypeaddr, Dtypes, &PP_Data); MPI_Type_commit(&PP_Data); for (dest=1; dest (%2d) Sent Data\n", PP_Myid, dest); # endif /* PVERBOSE2 */ } /* for each slave */ MPI_Type_free(&PP_Data); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent Data\n", PP_Myid); # endif /* PVERBOSE2 */ } /* PP_SendData */ /************************************************************************** * procedures to send the request to compute a single quartet (M->S) * **************************************************************************/ void PP_SendDoQuart(int dest, int a, int b, int c, int d, int approx) { # define NUMINT 5 int ints[NUMINT]; int error; ints[0] = a; ints[1] = b; ints[2] = c; ints[3] = d; ints[4] = approx; PP_doquartsent++; PP_doquartsentn++; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending -> (%2d): Quart(%d,%d,%d,%d)\n", PP_Myid, dest, a, b, c, d); # endif /* PVERBOSE2 */ error = MPI_Ssend(ints, NUMINT, MPI_INT, dest, PP_DOQUART, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, PP_Myid, error); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent \n", PP_Myid); # endif /* PVERBOSE3 */ # undef NUMINT } /* PP_SendDoQuart */ /******************/ void PP_RecvDoQuart(int *a, int *b, int *c, int *d, int *approx) { # define NUMINT 5 int ints[NUMINT]; int error; MPI_Status stat; PP_doquartrecved++; PP_doquartrecvedn++; # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) Receiving: Quart\n", PP_Myid); # endif /* PVERBOSE3 */ error = MPI_Recv(ints, NUMINT, MPI_INT, PP_MyMaster, PP_DOQUART, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 200+PP_Myid, error); *a = ints[0]; *b = ints[1]; *c = ints[2]; *d = ints[3]; *approx = ints[4]; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Received: Quart(%d,%d,%d,%d,%c)\n", PP_Myid, *a, *b, *c, *d, (approx ? 'A' : 'E')); # endif /* PVERBOSE2 */ # undef NUMINT } /* PP_RecvDoQuart */ /************************************************************************** * procedures to send the result of a single quartet (S->M) * **************************************************************************/ void PP_SendQuart(int a, int b, int c, int d, double d1, double d2, double d3, int approx) { # define NUMINT 5 # define NUMDBL 3 int ints[NUMINT]; double doubles[NUMDBL]; MPI_Datatype Dtypes[2] = {MPI_INT, MPI_DOUBLE}; int Dtypelens[2] = {NUMINT , NUMDBL}; MPI_Aint Dtypeaddr[2]; MPI_Datatype PP_Quart; int error; PP_quartsent++; PP_quartsentn++; ints[0] = a; ints[1] = b; ints[2] = c; ints[3] = d; ints[4] = approx; doubles[0] = d1; doubles[1] = d2; doubles[2] = d3; MPI_Address(ints, Dtypeaddr); MPI_Address(doubles, (Dtypeaddr+1)); MPI_Type_struct(2, Dtypelens, Dtypeaddr, Dtypes, &PP_Quart); MPI_Type_commit(&PP_Quart); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: Quart(%d,%d,%d,%d) = (%.3f, %.3f, %.3f)\n", PP_Myid, a, b, c, d, d1, d2, d3); # endif /* PVERBOSE2 */ error = MPI_Ssend(MPI_BOTTOM, 1, PP_Quart, PP_MyMaster, PP_QUART, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 400+PP_Myid, error); MPI_Type_free(&PP_Quart); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent \n", PP_Myid); # endif /* PVERBOSE3 */ # undef NUMINT # undef NUMDBL } /* PP_SendQuart */ /******************/ void PP_RecvQuart(int *a, int *b, int *c, int *d, double *d1, double *d2, double *d3, int *approx) { # define NUMINT 5 # define NUMDBL 3 int ints[NUMINT]; double doubles[NUMDBL]; MPI_Datatype Dtypes[2] = {MPI_INT, MPI_DOUBLE}; int Dtypelens[2] = {NUMINT , NUMDBL}; MPI_Aint Dtypeaddr[2]; MPI_Datatype PP_Quart; int error; MPI_Status stat; PP_quartrecved++; PP_quartrecvedn++; MPI_Address(ints, Dtypeaddr); MPI_Address(doubles, (Dtypeaddr+1)); MPI_Type_struct(2, Dtypelens, Dtypeaddr, Dtypes, &PP_Quart); MPI_Type_commit(&PP_Quart); error = MPI_Recv(MPI_BOTTOM, 1, PP_Quart, MPI_ANY_SOURCE, PP_QUART, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 500+PP_Myid, error); PP_putslave(stat.MPI_SOURCE); *a = ints[0]; *b = ints[1]; *c = ints[2]; *d = ints[3]; *d1 = doubles[0]; *d2 = doubles[1]; *d3 = doubles[2]; *approx = ints[4]; MPI_Type_free(&PP_Quart); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Received <- (%2d): Quart(%d,%d,%d,%d)=(%.3f, %.3f, %.3f)\n", PP_Myid, stat.MPI_SOURCE, *a, *b, *c, *d, *d1, *d2, *d3); # endif /* PVERBOSE2 */ # undef NUMINT # undef NUMDBL } /* PP_RecvQuart */ /************************************************************************** * procedures to send the request to compute a block of quartets (M->S) * **************************************************************************/ void PP_SendDoQuartBlock(int dest, uli firstq, uli amount, int approx) { # define NUMULI 3 uli ulongs[NUMULI]; int error; PP_doquartsent += amount; PP_doquartsentn++; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: DOQuartBlock Signal\n", PP_Myid); # endif /* PVERBOSE2 */ ulongs[0] = firstq; ulongs[1] = amount; ulongs[2] = (uli)approx; error = MPI_Ssend(ulongs, NUMULI, MPI_UNSIGNED_LONG, dest, PP_DOQUARTBLOCK, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 2100+PP_Myid, error); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent DOQuartBlock Signal (addr:%ld, num:%ld)\n", PP_Myid, firstq, amount); # endif /* PVERBOSE3 */ # undef NUMULI } /* PP_SendDoQuartBlock */ /******************/ void PP_RecvDoQuartBlock(uli *firstq, uli *amount, uli **bq, int *approx) { # define NUMULI 3 uli ulongs[NUMULI]; MPI_Status stat; int error; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Receiving: DOQuartBlock Signal\n", PP_Myid); # endif /* PVERBOSE2 */ error = MPI_Recv(&ulongs, NUMULI, MPI_UNSIGNED_LONG, PP_MyMaster, PP_DOQUARTBLOCK, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 2100+PP_Myid, error); *firstq=ulongs[0]; *amount=ulongs[1]; *approx= (int)ulongs[2]; *bq = malloc((unsigned)*amount * sizeof(uli)); PP_doquartrecved += *amount; PP_doquartrecvedn++; # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... DOQuartBlock (addr:%ld, num:%ld)\n", PP_Myid, *firstq, *amount); # endif /* PVERBOSE3 */ # undef NUMULI } /* PP_RecvDoQuartBlock */ /********************************************************************* * procedures to send the results of a block of quartets (S->M) * *********************************************************************/ void PP_SendQuartBlock(uli startq, uli numofq, unsigned char *quartetinfo, uli numofbq, uli *bq, int approx) { # define NUMULI 3 # define NUMINT 1 unsigned char *trueaddr; uli truenum; int error; int ints[NUMINT]; uli ulis[NUMULI]; MPI_Datatype Dtypes[2] = {MPI_UNSIGNED_LONG, MPI_INT}; int Dtypelens[2] = {NUMULI, NUMINT}; MPI_Aint Dtypeaddr[2]; MPI_Datatype PP_QBlockSpecs; MPI_Datatype DtypesRes[2] = {MPI_UNSIGNED_CHAR, MPI_UNSIGNED_LONG}; int DtypelensRes[2]; MPI_Aint DtypeaddrRes[2]; MPI_Datatype PP_QBlockRes; /* uli *bq; uli numofbq; */ PP_quartsent += numofq; PP_quartsentn++; truenum = (uli)((numofq+1)/2); trueaddr = (unsigned char *)(quartetinfo + (uli)(startq/2)); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: startq=%lud numofq=%lud\n", PP_Myid, startq, numofq); FPRINTF(STDOUTFILE "(%2d) approx=%c\n", PP_Myid, (approx ? 'A' : 'E')); # endif /* PVERBOSE2 */ ints[0] = approx; ulis[0] = startq; ulis[1] = numofq; ulis[2] = numofbq; MPI_Address(ulis, Dtypeaddr); MPI_Address(ints, (Dtypeaddr+1)); MPI_Type_struct(2, Dtypelens, Dtypeaddr, Dtypes, &PP_QBlockSpecs); MPI_Type_commit(&PP_QBlockSpecs); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: xxPP_QuartBlockSpecs(0,%lu)=%d,%d\n", PP_Myid, truenum-1, trueaddr[0], trueaddr[truenum-1]); # endif /* PVERBOSE2 */ error = MPI_Ssend(MPI_BOTTOM, 1, PP_QBlockSpecs, PP_MyMaster, PP_QUARTBLOCKSPECS, PP_Comm); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent QuartBlockSpecs (%ld, %ld, %ld, %d)\n", PP_Myid, ulis[0], ulis[1], ulis[2], ints[0]); # endif /* PVERBOSE3 */ MPI_Address(trueaddr, DtypeaddrRes); DtypelensRes[0] = truenum; MPI_Address(bq, (DtypeaddrRes + 1)); DtypelensRes[1] = numofbq; MPI_Type_struct(2, DtypelensRes, DtypeaddrRes, DtypesRes, &PP_QBlockRes); MPI_Type_commit(&PP_QBlockRes); error = MPI_Ssend(MPI_BOTTOM, 1, PP_QBlockRes, PP_MyMaster, PP_QUARTBLOCK, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, PP_Myid, error); MPI_Type_free(&PP_QBlockSpecs); MPI_Type_free(&PP_QBlockRes); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent xxPP_QuartBlock(0,%lu)=%d,%d\n", PP_Myid, truenum-1, trueaddr[0], trueaddr[truenum-1]); # endif /* PVERBOSE3 */ # undef NUMULI # undef NUMINT } /* PP_SendQuartBlock */ /******************/ void PP_RecvQuartBlock(int slave, uli *startq, uli *numofq, unsigned char *quartetinfo, int *approx) { # define NUMULI 3 # define NUMINT 1 unsigned char *trueaddr; uli truenum; int error; int dest; int ints[NUMINT]; uli ulis[NUMULI]; MPI_Datatype Dtypes[2] = {MPI_UNSIGNED_LONG, MPI_INT}; int Dtypelens[2] = {NUMULI, NUMINT}; MPI_Aint Dtypeaddr[2]; MPI_Datatype PP_QBlockSpecs; MPI_Datatype DtypesRes[2] = {MPI_UNSIGNED_CHAR, MPI_UNSIGNED_LONG}; int DtypelensRes[2]; MPI_Aint DtypeaddrRes[2]; MPI_Datatype PP_QBlockRes; MPI_Status stat; uli count; uli num; uli *numofbq; uli *bq; numofbq=# # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) Receiving QuartBlock ...\n", PP_Myid); # endif /* PVERBOSE3 */ MPI_Address(ulis, Dtypeaddr); MPI_Address(ints, (Dtypeaddr+1)); MPI_Type_struct(2, Dtypelens, Dtypeaddr, Dtypes, &PP_QBlockSpecs); MPI_Type_commit(&PP_QBlockSpecs); MPI_Probe(MPI_ANY_SOURCE, PP_QUARTBLOCKSPECS, PP_Comm, &stat); dest = stat.MPI_SOURCE; error = MPI_Recv(MPI_BOTTOM, 1, PP_QBlockSpecs, dest, PP_QUARTBLOCKSPECS, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, PP_Myid, error); *approx = ints[0]; *startq = ulis[0]; *numofq = ulis[1]; *numofbq = ulis[2]; PP_quartrecved += *numofq; PP_quartrecvedn++; truenum = (uli)((*numofq+1)/2); trueaddr = (unsigned char *)(quartetinfo + (uli)(*startq/2)); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Recv QuartBlockSpecs (%ld, %ld, %ld, %d)\n", PP_Myid, ulis[0], ulis[1], ulis[2], ints[0]); # endif /* PVERBOSE3 */ DtypelensRes[0] = truenum; MPI_Address(trueaddr, DtypeaddrRes); bq = malloc((unsigned) *numofbq * sizeof(uli)); DtypelensRes[1] = *numofbq; MPI_Address(bq, (DtypeaddrRes+1)); MPI_Type_struct(2, DtypelensRes, DtypeaddrRes, DtypesRes, &PP_QBlockRes); MPI_Type_commit(&PP_QBlockRes); error = MPI_Recv(MPI_BOTTOM, 1, PP_QBlockRes, dest, PP_QUARTBLOCK, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, PP_Myid, error); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Recv QuartBlock \n", PP_Myid); # endif /* PVERBOSE3 */ PP_putslave(dest); for(count = 0; count < *numofbq; count++){ int a, b, c, d; num2quart(bq[count], &a, &b, &c, &d); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) %ld. bad quarted (%d, %d, %d, %d) = %ld\n", PP_Myid, count, a, b, c, d, bq[count]); # endif /* PVERBOSE2 */ badqs++; badtaxon[a]++; badtaxon[b]++; badtaxon[c]++; badtaxon[d]++; if (show_optn) { fputid10(unresfp, a); fprintf(unresfp, " "); fputid10(unresfp, b); fprintf(unresfp, " "); fputid10(unresfp, c); fprintf(unresfp, " "); fputid(unresfp, d); fprintf(unresfp, "\n"); } } free(bq); MPI_Type_free(&PP_QBlockSpecs); MPI_Type_free(&PP_QBlockRes); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) <- (%2d) ... Recv xxPP_QuartBlock(0,%lu)=%d,%d\n", PP_Myid, dest, truenum-1, trueaddr[0], trueaddr[truenum-1]); # endif /* PVERBOSE2 */ # undef NUMULI # undef NUMINT } /* PP_RecvQuartBlock */ /********************************************************************* * send/receive array with all quartets (M->S) * *********************************************************************/ void PP_SendAllQuarts(unsigned long Numquartets, unsigned char *quartetinfo) { MPI_Datatype Dtypes[1] = {MPI_UNSIGNED_CHAR}; int Dtypelens[1]; MPI_Aint Dtypeaddr[1]; MPI_Datatype PP_AllQuarts; int dest; int error; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: PP_AllQuart(0)=%d\n", PP_Myid, quartetinfo[0]); # endif /* PVERBOSE2 */ /* compute number of quartets */ if (Numquartets % 2 == 0) { /* even number */ Dtypelens[0] = (Numquartets)/2; } else { /* odd number */ Dtypelens[0] = (Numquartets + 1)/2; } MPI_Address(&(quartetinfo[0]), Dtypeaddr); MPI_Type_struct(1, Dtypelens, Dtypeaddr, Dtypes, &PP_AllQuarts); MPI_Type_commit(&PP_AllQuarts); for (dest=1; dest (%2d) ... Sent xxAllQuart(0,%d)=%d,%d (%luq -> %db)\n", PP_Myid, dest, Dtypelens[0]-1, quartetinfo[0], quartetinfo[Dtypelens[0]-1], Numquartets, Dtypelens[0]-1); # endif /* PVERBOSE3 */ } /* for each slave */ MPI_Type_free(&PP_AllQuarts); } /* PP_SendAllQuarts */ /******************/ void PP_RecvAllQuarts(int taxa, unsigned long *Numquartets, unsigned char *quartetinfo) { MPI_Datatype Dtypes[1] = {MPI_UNSIGNED_CHAR}; int Dtypelens[1]; MPI_Aint Dtypeaddr[1]; MPI_Datatype PP_AllQuarts; MPI_Status stat; int error; # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) Receiving AllQuarts ...\n", PP_Myid); # endif /* PVERBOSE3 */ /* compute number of quartets */ *Numquartets = (uli) taxa*(taxa-1)*(taxa-2)*(taxa-3)/24; if (*Numquartets % 2 == 0) { /* even number */ Dtypelens[0] = (*Numquartets)/2; } else { /* odd number */ Dtypelens[0] = (*Numquartets + 1)/2; } MPI_Address(&(quartetinfo[0]), Dtypeaddr); MPI_Type_struct(1, Dtypelens, Dtypeaddr, Dtypes, &PP_AllQuarts); MPI_Type_commit(&PP_AllQuarts); error = MPI_Recv(MPI_BOTTOM, 1, PP_AllQuarts, PP_MyMaster, PP_ALLQUARTS, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 1300+PP_Myid, error); MPI_Type_free(&PP_AllQuarts); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) <- (%2d) ... Recv xxAllQuart(0,%d)=%d,%d (%luq -> %db)\n", PP_Myid, PP_MyMaster, Dtypelens[0]-1, quartetinfo[0], quartetinfo[Dtypelens[0]-1], *Numquartets, Dtypelens[0]-1); # endif /* PVERBOSE2 */ } /* PP_RecvAllQuarts */ /********************************************************************* * procedures to send request for a single puzzle tree * *********************************************************************/ void PP_SendPermut(int dest, int taxa, ivector permut) { MPI_Datatype Dtypes[1] = {MPI_INT}; int Dtypelens[1]; MPI_Aint Dtypeaddr[1]; MPI_Datatype PP_Permut; int error; PP_permutsent++; PP_permutsentn++; Dtypelens[0] = taxa; MPI_Address(&(permut[0]), Dtypeaddr); MPI_Type_struct(1, Dtypelens, Dtypeaddr, Dtypes, &PP_Permut); MPI_Type_commit(&PP_Permut); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending -> (%2d): PP_Permut(0)=%d\n", PP_Myid, dest, permut[0]); # endif /* PVERBOSE2 */ error = MPI_Ssend(MPI_BOTTOM, 1, PP_Permut, dest, PP_DOPUZZLE, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 1500+PP_Myid, error); MPI_Type_free(&PP_Permut); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent PP_Permut\n", PP_Myid); # endif /* PVERBOSE3 */ } /* PP_SendPermut */ /******************/ void PP_RecvPermut(int taxa, ivector permut) { MPI_Datatype Dtypes[1] = {MPI_INT}; int Dtypelens[1]; MPI_Aint Dtypeaddr[1]; MPI_Datatype PP_Permut; MPI_Status stat; int error; PP_permutrecved++; PP_permutrecvedn++; # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) Receiving: PP_Permut\n", PP_Myid); # endif /* PVERBOSE3 */ Dtypelens[0] = taxa; MPI_Address(&(permut[0]), Dtypeaddr); MPI_Type_struct(1, Dtypelens, Dtypeaddr, Dtypes, &PP_Permut); MPI_Type_commit(&PP_Permut); error = MPI_Recv(MPI_BOTTOM, 1, PP_Permut, PP_MyMaster, PP_DOPUZZLE, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 1700+PP_Myid, error); MPI_Type_free(&PP_Permut); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Received: PP_Permut(0)=%d\n", PP_Myid, permut[0]); # endif /* PVERBOSE2 */ } /* PP_RecvPermut */ /********************************************************************* * procedures to send the splits of a puzzle tree to the master * *********************************************************************/ void PP_SendSplitsBlock(int taxa, uli blocksize, cmatrix *biparts, int pstnum, treelistitemtype *pstlist) { MPI_Datatype *Dtypes; int *Dtypelens; MPI_Aint *Dtypeaddr; MPI_Datatype PP_Biparts; int error; int n; int ints[3]; int *pstnumarr; treelistitemtype *pstptr; PP_splitsent+=blocksize; PP_splitsentn++; ints[0] = taxa; ints[1] = (int) blocksize; ints[2] = pstnum; error = MPI_Ssend(ints, 3, MPI_INT, PP_MyMaster, PP_PUZZLEBLOCKSPECS, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 1800+PP_Myid, error); Dtypes = malloc((blocksize + pstnum + 1) * sizeof(MPI_Datatype)); Dtypelens = malloc((blocksize + pstnum + 1) * sizeof(int)); Dtypeaddr = malloc((blocksize + pstnum + 1) * sizeof(MPI_Aint)); pstnumarr = malloc(pstnum * sizeof(int)); # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Sending: PP_bipartsblock(0..%lu,0,0)8=\"%c\"\n", PP_Myid, blocksize, biparts[0][0][0]); # endif /* PVERBOSE2 */ for (n=0; n<(int)blocksize; n++) { Dtypes[n] = MPI_CHAR; Dtypelens[n] = (taxa - 3) * taxa; MPI_Address(&(biparts[n][0][0]), &(Dtypeaddr[n])); } pstptr = pstlist; for (n=0; n%d: [%d/%d] #=%d \"%s\"\n", PP_Myid, PP_MyMaster, n, pstnum, pstnumarr[n], (*pstptr).tree); # endif /* PVERBOSE3 */ pstptr = (*pstptr).succ; } Dtypes[((int)blocksize + pstnum)] = MPI_INT; Dtypelens[((int)blocksize + pstnum)] = pstnum; MPI_Address(&(pstnumarr[0]), &(Dtypeaddr[((int)blocksize + pstnum)])); MPI_Type_struct(((int)blocksize + pstnum + 1), Dtypelens, Dtypeaddr, Dtypes, &PP_Biparts); MPI_Type_commit(&PP_Biparts); error = MPI_Ssend(MPI_BOTTOM, 1, PP_Biparts, PP_MyMaster, PP_PUZZLEBLOCK, PP_Comm); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 1800+PP_Myid, error); MPI_Type_free(&PP_Biparts); free(Dtypes); free(Dtypelens); free(Dtypeaddr); free(pstnumarr); # ifdef PVERBOSE3 FPRINTF(STDOUTFILE "(%2d) ... Sent PP_bipartsblock\n", PP_Myid); # endif /* PVERBOSE3 */ } /* PP_SendSplitsBlock */ /******************/ void PP_RecvSplitsBlock(int *taxa, uli *blocksize, cmatrix **bip, treelistitemtype **pstlist, int *pstnum, int *pstsum) /* bp -> (*bip) */ { MPI_Datatype *Dtypes; int *Dtypelens; MPI_Aint *Dtypeaddr; MPI_Datatype PP_Biparts; MPI_Status stat; int error; int n; int dest; int ints[3]; int pstlistnum; int tmpnum; int tmpsum; int *pstnumarr; char **pstarr; treelistitemtype *treeitem; error = MPI_Recv(ints, 3, MPI_INT, MPI_ANY_SOURCE, PP_PUZZLEBLOCKSPECS, PP_Comm, &stat); if (error != MPI_SUCCESS) PP_Printerror(STDOUT, 1900+PP_Myid, error); dest = stat.MPI_SOURCE; *taxa = ints[0]; *blocksize = (uli) ints[1]; pstlistnum = ints[2]; # ifdef PVERBOSE2 FPRINTF(STDOUTFILE "(%2d) Received<-%d: PP_bipartsblockspec(t=%d,b=%ld,p=%d)\n", PP_Myid, dest, *taxa, *blocksize, pstlistnum); # endif /* PVERBOSE2 */ PP_splitrecved += *blocksize; PP_splitrecvedn++; Dtypes = malloc((*blocksize + pstlistnum + 1) * sizeof(MPI_Datatype)); Dtypelens = malloc((*blocksize + pstlistnum + 1) * sizeof(int)); Dtypeaddr = malloc((*blocksize + pstlistnum + 1) * sizeof(MPI_Aint)); (*bip) = (cmatrix *) malloc(*blocksize * sizeof(void *)); pstnumarr = (int *) malloc(pstlistnum * sizeof(int)); pstarr = (char **) malloc(pstlistnum * sizeof(char *)); /* pstarr[0] = (char *) malloc(psteptreestrlen * pstlistnum * sizeof(char)); for(n=1; n 0) { if (PP_emptyslave()) { PP_RecvSplitsBlock(&tx, &bs, &bp, &psteptreelist, &psteptreenum, &psteptreesum); for (bipnum=0; bipnum 0) { PP_RecvSplitsBlock(&tx, &bs, &bp, &psteptreelist, &psteptreenum, &psteptreesum); for (bipnum=0; bipnum%4ld (%dx%ld)\n", PP_Myid, qstart, qend, PP_NumProcs-1, qtodo); # endif addtimes(GENERAL, &tarr); for (i = 3; i < Maxspc; i++) for (c = 2; c < i; c++) for (b = 1; b < c; b++) for (a = 0; a < b; a++) { idx = (uli) a + (uli) b*(b-1)/2 + (uli) c*(c-1)*(c-2)/6 + (uli) i*(i-1)*(i-2)*(i-3)/24; if ((idx >= qstart) && (idx <= qend)) { # ifdef PVERBOSE4 FPRINTF(STDOUTFILE "(%2d) %4ld <---> (%d,%d,%d,%d)\n",PP_Myid, idx, a,b,c,i); # endif compute_quartlklhds(a,b,c,i,&d1,&d2,&d3,approx); PP_do_write_quart(a,b,c,i,d1,d2,d3,&nofbq,bqarr); addtimes(QUARTETS, &tarr); } /* if idx */ } /* for for for for */ PP_SendQuartBlock(qstart, qtodo, quartetinfo, nofbq, bqarr, approx); free(bqarr); bqarr=NULL; break; } case PP_DOPUZZLEBLOCK: { if (PP_AllQuartsReceived){ uli Numtrial, ptodo; cmatrix *bp; int n; PP_RecvDoPermutBlock(&Numtrial); ptodo = Numtrial; bp = (cmatrix *) malloc(Numtrial * sizeof(void *)); for(n=0; nS */ # define PP_SIZES 1 /* Array sizes needed M->S */ # define PP_DATA 2 /* Data Arrays M->S */ # define PP_ALLQUARTS 3 /* All Quartets M->S */ # define PP_DOQUART 4 /* do 4Specs M->S */ # define PP_DOQUARTX2 5 /* do 4Specs + X^2 M->S */ # define PP_QUART 6 /* quartet back S->M */ # define PP_QUARTX2 7 /* quartet + X^2 back S->M */ # define PP_DOQUARTBLOCKSPECS 8 /* do block Specs M->S */ # define PP_DOQUARTBLOCK 9 /* do block of Quarts M->S */ # define PP_QUARTBLOCKSPECS 10 /* block Specs S->M */ # define PP_QUARTBLOCK 11 /* block of Quarts S->M */ # define PP_DOPUZZLE 12 /* do Puzzling step M->S */ # define PP_PUZZLE 13 /* Puzzling tree back S->M */ # define PP_DOPUZZLEBLOCK 14 /* do Puzzling block M->S */ # define PP_DOPUZZLEBLOCKSPECS 15 /* do Puzzling block M->S */ # define PP_PUZZLEBLOCK 16 /* Puzzling block S->M */ # define PP_PUZZLEBLOCKSPECS 17 /* Puzzling block S->M */ # define PP_STATS 18 /* Slave Statistics S->M */ # define PP_WAIT 18 /* waiting for work S->M */ # define PP_TEST 100 /* testing */ # define PERMUTQUEUESIZE 100 # define QUARTQUEUESIZE 100 extern int PP_IamMaster; extern int PP_IamSlave; extern int PP_Myid; extern int PP_MyMaster; extern int PP_NumProcs; extern MPI_Comm PP_Comm; #endif /* PARALLEL */ extern int *permutsent, *permutrecved, *quartsent, *quartrecved, *doquartsent, *doquartrecved, *splitsent, *splitrecved, *permutsentn, *permutrecvedn, *quartsentn, *quartrecvedn, *doquartsentn, *doquartrecvedn, *splitsentn, *splitrecvedn; extern double *walltimes, *cputimes; extern double *fullwalltimes, *fullcputimes; extern double *altwalltimes, *altcputimes; extern int PP_permutsent, PP_permutrecved, PP_quartsent, PP_quartrecved, PP_doquartsent, PP_doquartrecved, PP_splitsent, PP_splitrecved, PP_permutsentn, PP_permutrecvedn, PP_quartsentn, PP_quartrecvedn, PP_doquartsentn, PP_doquartrecvedn, PP_splitsentn, PP_splitrecvedn; extern double PP_starttime, PP_stoptime, PP_inittime, PP_paramcomptime, PP_paramsendtime, PP_quartcomptime, PP_quartsendtime, PP_puzzletime, PP_treetime; void num2quart(uli qnum, int *a, int *b, int *c, int *d); uli numquarts(int maxspc); uli quart2num (int a, int b, int c, int d); int slave_main(int argc, char *argv[]); void PP_Init(int *argc, char **argv[]); void PP_Finalize(); void PP_Printerror(FILE *of, int id, int err); void PP_do_puzzling(ivector trueID); void PP_RecvDoQuart(int *a, int *b, int *c, int *d, int *approx); void PP_SendDoQuart(int dest, int a, int b, int c, int d, int approx); void PP_RecvQuart(int *a, int *b, int *c, int *d, double *d1, double *d2, double *d3, int *approx); void PP_SendQuart(int a, int b, int c, int d, double d1, double d2, double d3, int approx); void PP_SendSizes(int mspc, int msite, int ncats, int nptrn, int rad, int outgr, double frconst, int rseed); void PP_RecvSizes(int *mspc, int *msite, int *ncats, int *nptrn, int *rad, int *outgr, double *frconst, int *rseed); void PP_RecvData( cmatrix Seqpat, /* cmatrix (Maxspc x Numptrn) */ ivector Alias, /* ivector (Maxsite) */ ivector Weight, /* ivector (Numptrn) */ ivector constpat, dvector Rates, /* dvector (numcats) */ dvector Eval, /* dvector (tpmradix) */ dvector Freqtpm, dmatrix Evec, /* dmatrix (tpmradix x tpmradix) */ dmatrix Ievc, dmatrix iexp, dmatrix Distanmat, /* dmatrix (Maxspc x Maxspc) */ dcube ltprobr); /* dcube (numcats x tpmradix x tpmradix) */ void PP_SendData( cmatrix Seqpat, /* cmatrix (Maxspc x Numptrn) */ ivector Alias, /* ivector (Maxsite) */ ivector Weight, /* ivector (Numptrn) */ ivector constpat, dvector Rates, /* dvector (numcats) */ dvector Eval, /* dvector (tpmradix) */ dvector Freqtpm, dmatrix Evec, /* dmatrix (tpmradix x tpmradix) */ dmatrix Ievc, dmatrix iexp, dmatrix Distanmat, /* dmatrix (Maxspc x Maxspc) */ dcube ltprobr); /* dcube (numcats x tpmradix x tpmradix) */ void PP_SendAllQuarts(unsigned long Numquartets, unsigned char *quartetinfo); void PP_RecvAllQuarts(int taxa, unsigned long *Numquartets, unsigned char *quartetinfo); void PP_SendDoQuartBlock(int dest, uli firstq, uli amount, int approx); void PP_RecvDoQuartBlock(uli *firstq, uli *amount, uli **bq, int *approx); void PP_SendQuartBlock(uli startq, uli numofq, unsigned char *quartetinfo, uli numofbq, uli *bq, int approx); void PP_RecvQuartBlock(int slave, uli *startq, uli *numofq, unsigned char *quartetinfo, int *approx); void PP_SendPermut(int dest, int taxa, ivector permut); void PP_RecvPermut(int taxa, ivector permut); void PP_SendDoPermutBlock(uli puzzlings); void PP_RecvDoPermutBlock(uli *taxa); void PP_SendSplits(int taxa, cmatrix biparts); void PP_RecvSplits(int taxa, cmatrix biparts); void PP_SendDone(); void PP_RecvDone(); int PP_emptyslave(); void PP_putslave(int sl); int PP_getslave(); void PP_cmpd(int rank, double a, double b); void PP_cmpi(int rank, int a, int b); #endif /* _PPUZZLE_ */ ./arbsrc_9167/GDE/TREEPUZZLE/src/puzzle1.c0000644012664100000130000043062311213220011017603 0ustar arb_buildcoders/* * puzzle1.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #define EXTERN #include "puzzle.h" #include "gamma.h" void num2quart(uli qnum, int *a, int *b, int *c, int *d) { double temp; uli aa, bb, cc, dd; uli lowval=0, highval=0; aa=0; bb=1; cc=2; dd=3; temp = (double)(24 * qnum); temp = sqrt(temp); temp = sqrt(temp); /* temp = pow(temp, (double)(1/4)); */ dd = (uli) floor(temp) + 1; if (dd < 3) dd = 3; lowval = (uli) dd*(dd-1)*(dd-2)*(dd-3)/24; highval = (uli) (dd+1)*dd*(dd-1)*(dd-2)/24; if (lowval >= qnum) while ((lowval > qnum)) { dd -= 1; lowval = (uli) dd*(dd-1)*(dd-2)*(dd-3)/24; } else { while (highval <= qnum) { dd += 1; highval = (uli) (dd+1)*dd*(dd-1)*(dd-2)/24; } lowval = (uli) dd*(dd-1)*(dd-2)*(dd-3)/24; } qnum -= lowval; if (qnum > 0) { temp = (double)(6 * qnum); temp = pow(temp, (double)(1/3)); cc = (uli) floor(temp); if (cc < 2) cc= 2; lowval = (uli) cc*(cc-1)*(cc-2)/6; highval = (uli) (cc+1)*cc*(cc-1)/6; if (lowval >= qnum) while ((lowval > qnum)) { cc -= 1; lowval = (uli) cc*(cc-1)*(cc-2)/6; } else { while (highval <= qnum) { cc += 1; highval = (uli) (cc+1)*cc*(cc-1)/6; } lowval = (uli) cc*(cc-1)*(cc-2)/6; } qnum -= lowval; if (qnum > 0) { temp = (double)(2 * qnum); temp = sqrt(temp); bb = (uli) floor(temp); if (bb < 1) bb= 1; lowval = (uli) bb*(bb-1)/2; highval = (uli) (bb+1)*bb/2; if (lowval >= qnum) while ((lowval > qnum)) { bb -= 1; lowval = (uli) bb*(bb-1)/2; } else { while (highval <= qnum) { bb += 1; highval = (uli) (bb+1)*bb/2; } lowval = (uli) bb*(bb-1)/2; } qnum -= lowval; if (qnum > 0) { aa = (uli) qnum; if (aa < 0) aa= 0; } } } *d = (int)dd; *c = (int)cc; *b = (int)bb; *a = (int)aa; } /* num2quart */ /******************/ uli numquarts(int maxspc) { uli tmp; int a, b, c, d; if (maxspc < 4) return (uli)0; else { maxspc--; a = maxspc-3; b = maxspc-2; c = maxspc-1; d = maxspc; tmp = (uli) 1 + a + (uli) b * (b-1) / 2 + (uli) c * (c-1) * (c-2) / 6 + (uli) d * (d-1) * (d-2) * (d-3) / 24; return (tmp); } } /* numquarts */ /******************/ uli quart2num (int a, int b, int c, int d) { uli tmp; if ((a>b) || (b>c) || (c>d)) { fprintf(stderr, "Error PP5 not (%d <= %d <= %d <= %d) !!!\n", a, b, c, d); exit (1); } tmp = (uli) a + (uli) b * (b-1) / 2 + (uli) c * (c-1) * (c-2) / 6 + (uli) d * (d-1) * (d-2) * (d-3) / 24; return (tmp); } /* quart2num */ /******************/ /* flag=0 old allquart binary */ /* flag=1 allquart binary */ /* flag=2 allquart ACSII */ /* flag=3 quartlh binary */ /* flag=4 quartlh ASCII */ void writetpqfheader(int nspec, FILE *ofp, int flag) { int currspec; if (flag == 0) { unsigned long nquart; unsigned long blocklen; nquart = numquarts(nspec); /* compute number of bytes */ if (nquart % 2 == 0) { /* even number */ blocklen = (nquart)/2; } else { /* odd number */ blocklen = (nquart + 1)/2; } /* FPRINTF(STDOUTFILE "Writing quartet file: %s\n", filename); */ fprintf(ofp, "TREE-PUZZLE\n%s\n\n", VERSION); fprintf(ofp, "species: %d\n", nspec); fprintf(ofp, "quartets: %lu\n", nquart); fprintf(ofp, "bytes: %lu\n\n", blocklen); /* fwrite(&(quartetinfo[0]), sizeof(char), blocklen, ofp); */ } if (flag == 1) fprintf(ofp, "##TPQF-BB (TREE-PUZZLE %s)\n%d\n", VERSION, nspec); if (flag == 2) fprintf(ofp, "##TPQF-BA (TREE-PUZZLE %s)\n%d\n", VERSION, nspec); if (flag == 3) fprintf(ofp, "##TPQF-LB (TREE-PUZZLE %s)\n%d\n", VERSION, nspec); if (flag == 4) fprintf(ofp, "##TPQF-LA (TREE-PUZZLE %s)\n%d\n", VERSION, nspec); for (currspec=0; currspec MAXTS) { FPRINTF(STDOUTFILE "\n\n\nF84 model not possible "); FPRINTF(STDOUTFILE "(bad Ts/Tv parameter)\n"); tstvf84 = 0.0; return; } if (yr < MINYR || yr > MAXYR) { FPRINTF(STDOUTFILE "\n\n\nF84 model not possible "); FPRINTF(STDOUTFILE "(bad Y/R transition parameter)\n"); tstvf84 = 0.0; return; } TSparam = ts; YRparam = yr; optim_optn = FALSE; } /* compute number of quartets used in LM analysis */ void compnumqts() { if (lmqts == 0) { if (numclust == 4) Numquartets = (uli) clustA*clustB*clustC*clustD; if (numclust == 3) Numquartets = (uli) clustA*clustB*clustC*(clustC-1)/2; if (numclust == 2) Numquartets = (uli) clustA*(clustA-1)/2 * clustB*(clustB-1)/2; if (numclust == 1) Numquartets = (uli) Maxspc*(Maxspc-1)*(Maxspc-2)*(Maxspc-3)/24; } else { Numquartets = lmqts; } } /* set options interactively */ void setoptions() { int i, valid; double sumfreq; char ch; /* defaults */ rhetmode = UNIFORMRATE; /* assume rate homogeneity */ numcats = 1; Geta = 0.05; grate_optim = FALSE; fracinv = 0.0; fracinv_optim = FALSE; compclock = FALSE; /* compute clocklike branch lengths */ locroot = -1; /* search for optimal place of root */ qcalg_optn = FALSE; /* don't use sampling of quartets */ approxp_optn = TRUE; /* approximate parameter estimates */ listqptrees = PSTOUT_NONE; /* list puzzling step trees */ /* approximate QP quartets? */ if (Maxspc <= 6) approxqp = FALSE; else approxqp = TRUE; codon_optn = 0; /* use all positions in a codon */ /* number of puzzling steps */ if (Maxspc <= 25) Numtrial = 1000; else if (Maxspc <= 50) Numtrial = 10000; else if (Maxspc <= 75) Numtrial = 25000; else Numtrial = 50000; utree_optn = TRUE; /* use first user tree for estimation */ outgroup = 0; /* use first taxon as outgroup */ sym_optn = FALSE; /* symmetrize doublet frequencies */ tstvf84 = 0.0; /* disable F84 model */ show_optn = FALSE; /* show unresolved quartets */ typ_optn = TREERECON_OPTN; /* tree reconstruction */ numclust = 1; /* one clusters in LM analysis */ lmqts = 0; /* all quartets in LM analysis */ compnumqts(); if (Numquartets > 10000) { lmqts = 10000; /* 10000 quartets in LM analysis */ compnumqts(); } do { FPRINTF(STDOUTFILE "\n\n\nGENERAL OPTIONS\n"); FPRINTF(STDOUTFILE " b Type of analysis? "); if (typ_optn == TREERECON_OPTN) FPRINTF(STDOUTFILE "Tree reconstruction\n"); if (typ_optn == LIKMAPING_OPTN) FPRINTF(STDOUTFILE "Likelihood mapping\n"); if (typ_optn == TREERECON_OPTN) { FPRINTF(STDOUTFILE " k Tree search procedure? "); if (puzzlemode == QUARTPUZ) FPRINTF(STDOUTFILE "Quartet puzzling\n"); if (puzzlemode == USERTREE) FPRINTF(STDOUTFILE "User defined trees\n"); if (puzzlemode == PAIRDIST) FPRINTF(STDOUTFILE "Pairwise distances only (no tree)\n"); if (puzzlemode == QUARTPUZ) { FPRINTF(STDOUTFILE " v Approximate quartet likelihood? %s\n", (approxqp ? "Yes" : "No")); FPRINTF(STDOUTFILE " u List unresolved quartets? %s\n", (show_optn ? "Yes" : "No")); FPRINTF(STDOUTFILE " n Number of puzzling steps? %lu\n", Numtrial); FPRINTF(STDOUTFILE " j List puzzling step trees? "); switch (listqptrees) { case PSTOUT_NONE: FPRINTF(STDOUTFILE "No\n"); break; case PSTOUT_ORDER: FPRINTF(STDOUTFILE "Unique topologies\n"); break; case PSTOUT_LISTORDER: FPRINTF(STDOUTFILE "Unique topologies & Chronological list\n"); break; case PSTOUT_LIST: FPRINTF(STDOUTFILE "Chronological list only\n"); break; } FPRINTF(STDOUTFILE " o Display as outgroup? "); fputid(STDOUT, outgroup); FPRINTF(STDOUTFILE "\n"); } if (puzzlemode == QUARTPUZ || puzzlemode == USERTREE) { FPRINTF(STDOUTFILE " z Compute clocklike branch lengths? "); if (compclock) FPRINTF(STDOUTFILE "Yes\n"); else FPRINTF(STDOUTFILE "No\n"); } if (compclock) if (puzzlemode == QUARTPUZ || puzzlemode == USERTREE) { FPRINTF(STDOUTFILE " l Location of root? "); if (locroot < 0) FPRINTF(STDOUTFILE "Best place (automatic search)\n"); else if (locroot < Maxspc) { FPRINTF(STDOUTFILE "Branch %d (", locroot + 1); fputid(STDOUT, locroot); FPRINTF(STDOUTFILE ")\n"); } else FPRINTF(STDOUTFILE "Branch %d (internal branch)\n", locroot + 1); } } if (typ_optn == LIKMAPING_OPTN) { FPRINTF(STDOUTFILE " g Group sequences in clusters? "); if (numclust == 1) FPRINTF(STDOUTFILE "No\n"); else FPRINTF(STDOUTFILE "Yes (%d clusters as specified)\n", numclust); FPRINTF(STDOUTFILE " n Number of quartets? "); if (lmqts == 0) FPRINTF(STDOUTFILE "%lu (all possible)\n", Numquartets); else FPRINTF(STDOUTFILE "%lu (random choice)\n", lmqts); } FPRINTF(STDOUTFILE " e Parameter estimates? "); if (approxp_optn) FPRINTF(STDOUTFILE "Approximate (faster)\n"); else FPRINTF(STDOUTFILE "Exact (slow)\n"); if (!(puzzlemode == USERTREE && typ_optn == TREERECON_OPTN)) { FPRINTF(STDOUTFILE " x Parameter estimation uses? "); if (qcalg_optn) FPRINTF(STDOUTFILE "Quartet sampling + NJ tree\n"); else FPRINTF(STDOUTFILE "Neighbor-joining tree\n"); } else { FPRINTF(STDOUTFILE " x Parameter estimation uses? "); if (utree_optn) FPRINTF(STDOUTFILE "1st input tree\n"); else if (qcalg_optn) FPRINTF(STDOUTFILE "Quartet sampling + NJ tree\n"); else FPRINTF(STDOUTFILE "Neighbor-joining tree\n"); } FPRINTF(STDOUTFILE "SUBSTITUTION PROCESS\n"); FPRINTF(STDOUTFILE " d Type of sequence input data? "); if (auto_datatype == AUTO_GUESS) FPRINTF(STDOUTFILE "Auto: "); if (data_optn == NUCLEOTIDE) FPRINTF(STDOUTFILE "Nucleotides\n"); if (data_optn == AMINOACID) FPRINTF(STDOUTFILE "Amino acids\n"); if (data_optn == BINARY) FPRINTF(STDOUTFILE "Binary states\n"); if (data_optn == NUCLEOTIDE && (Maxseqc % 3) == 0 && !SH_optn) { FPRINTF(STDOUTFILE " h Codon positions selected? "); if (codon_optn == 0) FPRINTF(STDOUTFILE "Use all positions\n"); if (codon_optn == 1) FPRINTF(STDOUTFILE "Use only 1st positions\n"); if (codon_optn == 2) FPRINTF(STDOUTFILE "Use only 2nd positions\n"); if (codon_optn == 3) FPRINTF(STDOUTFILE "Use only 3rd positions\n"); if (codon_optn == 4) FPRINTF(STDOUTFILE "Use 1st and 2nd positions\n"); } FPRINTF(STDOUTFILE " m Model of substitution? "); if (data_optn == NUCLEOTIDE) { /* nucleotides */ if (nuc_optn) { if(HKY_optn) FPRINTF(STDOUTFILE "HKY (Hasegawa et al. 1985)\n"); else { FPRINTF(STDOUTFILE "TN (Tamura-Nei 1993)\n"); FPRINTF(STDOUTFILE " p Constrain TN model to F84 model? "); if (tstvf84 == 0.0) FPRINTF(STDOUTFILE "No\n"); else FPRINTF(STDOUTFILE "Yes (Ts/Tv ratio = %.2f)\n", tstvf84); } FPRINTF(STDOUTFILE " t Transition/transversion parameter? "); if (optim_optn) FPRINTF(STDOUTFILE "Estimate from data set\n"); else FPRINTF(STDOUTFILE "%.2f\n", TSparam); if (TN_optn) { FPRINTF(STDOUTFILE " r Y/R transition parameter? "); if (optim_optn) FPRINTF(STDOUTFILE "Estimate from data set\n"); else FPRINTF(STDOUTFILE "%.2f\n", YRparam); } } if (SH_optn) { FPRINTF(STDOUTFILE "SH (Schoeniger-von Haeseler 1994)\n"); FPRINTF(STDOUTFILE " t Transition/transversion parameter? "); if (optim_optn) FPRINTF(STDOUTFILE "Estimate from data set\n"); else FPRINTF(STDOUTFILE "%.2f\n", TSparam); } } if (data_optn == NUCLEOTIDE && SH_optn) { FPRINTF(STDOUTFILE " h Doublets defined by? "); if (SHcodon) FPRINTF(STDOUTFILE "1st and 2nd codon positions\n"); else FPRINTF(STDOUTFILE "1st+2nd, 3rd+4th, etc. site\n"); } if (data_optn == AMINOACID) { /* amino acids */ switch (auto_aamodel) { case AUTO_GUESS: FPRINTF(STDOUTFILE "Auto: "); break; case AUTO_DEFAULT: FPRINTF(STDOUTFILE "Def.: "); break; } if (Dayhf_optn) FPRINTF(STDOUTFILE "Dayhoff (Dayhoff et al. 1978)\n"); if (Jtt_optn) FPRINTF(STDOUTFILE "JTT (Jones et al. 1992)\n"); if (mtrev_optn) FPRINTF(STDOUTFILE "mtREV24 (Adachi-Hasegawa 1996)\n"); if (cprev_optn) FPRINTF(STDOUTFILE "cpREV45 (Adachi et al. 2000)\n"); if (blosum62_optn) FPRINTF(STDOUTFILE "BLOSUM62 (Henikoff-Henikoff 92)\n"); if (vtmv_optn) FPRINTF(STDOUTFILE "VT (Mueller-Vingron 2000)\n"); if (wag_optn) FPRINTF(STDOUTFILE "WAG (Whelan-Goldman 2000)\n"); } if (data_optn == BINARY) { /* binary states */ FPRINTF(STDOUTFILE "Two-state model (Felsenstein 1981)\n"); } if (data_optn == AMINOACID) FPRINTF(STDOUTFILE " f Amino acid frequencies? "); else if (data_optn == NUCLEOTIDE && SH_optn) FPRINTF(STDOUTFILE " f Doublet frequencies? "); else if (data_optn == NUCLEOTIDE && nuc_optn) FPRINTF(STDOUTFILE " f Nucleotide frequencies? "); else if (data_optn == BINARY) FPRINTF(STDOUTFILE " f Binary state frequencies? "); FPRINTF(STDOUTFILE "%s\n", (Frequ_optn ? "Estimate from data set" : "Use specified values")); if (data_optn == NUCLEOTIDE && SH_optn) FPRINTF(STDOUTFILE " s Symmetrize doublet frequencies? %s\n", (sym_optn ? "Yes" : "No")); FPRINTF(STDOUTFILE "RATE HETEROGENEITY\n"); FPRINTF(STDOUTFILE " w Model of rate heterogeneity? "); if (rhetmode == UNIFORMRATE) FPRINTF(STDOUTFILE "Uniform rate\n"); if (rhetmode == GAMMARATE ) FPRINTF(STDOUTFILE "Gamma distributed rates\n"); if (rhetmode == TWORATE ) FPRINTF(STDOUTFILE "Two rates (1 invariable + 1 variable)\n"); if (rhetmode == MIXEDRATE ) FPRINTF(STDOUTFILE "Mixed (1 invariable + %d Gamma rates)\n", numcats); if (rhetmode == TWORATE || rhetmode == MIXEDRATE) { FPRINTF(STDOUTFILE " i Fraction of invariable sites? "); if (fracinv_optim) FPRINTF(STDOUTFILE "Estimate from data set"); else FPRINTF(STDOUTFILE "%.2f", fracinv); if (fracinv == 0.0 && !fracinv_optim) FPRINTF(STDOUTFILE " (all sites variable)"); FPRINTF(STDOUTFILE "\n"); } if (rhetmode == GAMMARATE || rhetmode == MIXEDRATE) { FPRINTF(STDOUTFILE " a Gamma distribution parameter alpha? "); if (grate_optim) FPRINTF(STDOUTFILE "Estimate from data set\n"); else if (Geta > 0.5) FPRINTF(STDOUTFILE "%.2f (strong rate heterogeneity)\n", (1.0-Geta)/Geta); else FPRINTF(STDOUTFILE "%.2f (weak rate heterogeneity)\n", (1.0-Geta)/Geta); FPRINTF(STDOUTFILE " c Number of Gamma rate categories? %d\n", numcats); } FPRINTF(STDOUTFILE "\nQuit [q], confirm [y], or change [menu] settings: "); /* read one char */ ch = getchar(); if (ch != '\n') { do ; while (getchar() != '\n'); } ch = (char) tolower((int) ch); /* letters in use: a b c d e f g h i j k l m n o p q r s t u v w y x z */ /* letters not in use: */ switch (ch) { case '\n': break; case 'z': if (typ_optn == TREERECON_OPTN && (puzzlemode == QUARTPUZ || puzzlemode == USERTREE)) { compclock = compclock + 1; if (compclock == 2) compclock = 0; } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'l': if (compclock && typ_optn == TREERECON_OPTN && (puzzlemode == QUARTPUZ || puzzlemode == USERTREE)) { FPRINTF(STDOUTFILE "\n\n\nEnter an invalid branch number to search "); FPRINTF(STDOUTFILE "for the best location!\n"); FPRINTF(STDOUTFILE "\nPlace root at branch (1-%d): ", 2*Maxspc-3); scanf("%d", &locroot); do ; while (getchar() != '\n'); if (locroot < 1 || locroot > 2*Maxspc-3) locroot = 0; locroot = locroot - 1; } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'e': if ((rhetmode == TWORATE || rhetmode == MIXEDRATE) && fracinv_optim) { FPRINTF(STDOUTFILE "\n\n\nInvariable sites estimation needs to be exact!\n"); } else { approxp_optn = approxp_optn + 1; if (approxp_optn == 2) approxp_optn = 0; } break; case 'w': rhetmode = rhetmode + 1; if (rhetmode == 4) rhetmode = UNIFORMRATE; if (rhetmode == UNIFORMRATE) { /* uniform rate */ numcats = 1; Geta = 0.05; grate_optim = FALSE; fracinv = 0.0; fracinv_optim = FALSE; } if (rhetmode == GAMMARATE ) { /* Gamma distributed rates */ numcats = 8; Geta = 0.05; grate_optim = TRUE; fracinv = 0.0; fracinv_optim = FALSE; } if (rhetmode == TWORATE ) { /* two rates (1 invariable + 1 variable) */ approxp_optn = FALSE; numcats = 1; Geta = 0.05; grate_optim = FALSE; fracinv = 0.0; fracinv_optim = TRUE; } if (rhetmode == MIXEDRATE ) { /* mixed (1 invariable + Gamma rates) */ approxp_optn = FALSE; numcats = 8; Geta = 0.05; grate_optim = TRUE; fracinv = 0.0; fracinv_optim = TRUE; } break; case 'i': if (rhetmode == TWORATE || rhetmode == MIXEDRATE) { FPRINTF(STDOUTFILE "\n\n\nEnter an invalid value for "); FPRINTF(STDOUTFILE "estimation from data set!\n"); FPRINTF(STDOUTFILE "\nFraction of invariable sites among all sites (%.2f-%.2f): ", MINFI, MAXFI); scanf("%lf", &fracinv); do ; while (getchar() != '\n'); if (fracinv < MINFI || fracinv > MAXFI) { fracinv_optim = TRUE; fracinv = 0.0; } else { fracinv_optim = FALSE; } } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'a': if (rhetmode == GAMMARATE || rhetmode == MIXEDRATE) { FPRINTF(STDOUTFILE "\n\n\nEnter an invalid value for estimation from data set!\n"); FPRINTF(STDOUTFILE "\nGamma distribution parameter alpha (%.2f-%.2f): ", (1.0-MAXGE)/MAXGE, (1.0-MINGE)/MINGE); scanf("%lf", &Geta); do ; while (getchar() != '\n'); if (Geta < (1.0-MAXGE)/MAXGE || Geta > (1.0-MINGE)/MINGE) { grate_optim = TRUE; Geta = 0.05; } else { grate_optim = FALSE; Geta = 1.0/(1.0 + Geta); } } else FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); break; case 'c': if (rhetmode == GAMMARATE || rhetmode == MIXEDRATE) { FPRINTF(STDOUTFILE "\n\n\nNumber of Gamma rate categories (%d-%d): ", MINCAT, MAXCAT); scanf("%d", &numcats); do ; while (getchar() != '\n'); if (numcats < MINCAT || numcats > MAXCAT) { FPRINTF(STDOUTFILE "\n\n\nThis number of categories is not available!\n"); numcats = 4; } } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'h': if (data_optn == NUCLEOTIDE && (Maxseqc % 3) == 0 && !SH_optn) { codon_optn = codon_optn + 1; if (codon_optn == 5) codon_optn = 0; translatedataset(); /* reestimate nucleotide frequencies only if user did not specify other values */ if (Frequ_optn) estimatebasefreqs(); } else if (data_optn == NUCLEOTIDE && SH_optn) { if (Maxseqc % 2 != 0 && Maxseqc % 3 == 0) { SHcodon = TRUE; FPRINTF(STDOUTFILE "\n\n\nThis is the only possible option for the data set!\n"); } if (Maxseqc % 3 != 0 && Maxseqc % 2 == 0) { SHcodon = FALSE; FPRINTF(STDOUTFILE "\n\n\nThis is the only possible option for the data set!\n"); } if (Maxseqc % 2 == 0 && Maxseqc % 3 == 0) { if (SHcodon) SHcodon = FALSE; else SHcodon = TRUE; translatedataset(); /* reestimate nucleotide frequencies only if user did not specify other values */ if (Frequ_optn) estimatebasefreqs(); } } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'x': if (typ_optn == TREERECON_OPTN && puzzlemode == USERTREE) { if (utree_optn) { utree_optn = FALSE; qcalg_optn = FALSE; } else { qcalg_optn = qcalg_optn + 1; if (qcalg_optn == 2) { qcalg_optn = 0; utree_optn = TRUE; } } } else { qcalg_optn = qcalg_optn + 1; if (qcalg_optn == 2) qcalg_optn = 0; } break; case 'k': if (typ_optn == TREERECON_OPTN) { puzzlemode = (puzzlemode + 1) % 3; /* puzzlemode = puzzlemode + 1; if (puzzlemode == 3) puzzlemode = 0; xxx */ } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'b': typ_optn = (typ_optn + 1) % 2; /* typ_optn = typ_optn + 1; if (typ_optn == 2) typ_optn = TREERECON_OPTN; xxx */ break; case 'g': if (typ_optn == LIKMAPING_OPTN) { clustA = clustB = clustC = clustD = 0; if (numclust != 1) { numclust = 1; } else { FPRINTF(STDOUTFILE "\n\n\nNumber of clusters (2-4): "); scanf("%d", &numclust); do ; while (getchar() != '\n'); if (numclust < 2 || numclust > 4) { numclust = 1; FPRINTF(STDOUTFILE "\n\n\nOnly 2, 3, or 4 "); FPRINTF(STDOUTFILE "clusters possible\n"); } else { FPRINTF(STDOUTFILE "\nDistribute all sequences over the "); if (numclust == 2) { FPRINTF(STDOUTFILE "two clusters a and b (At least two\n"); FPRINTF(STDOUTFILE "sequences per cluster are necessary), "); } if (numclust == 3) { FPRINTF(STDOUTFILE "three clusters a, b, and c\n"); FPRINTF(STDOUTFILE "(At least one sequence in cluster a and b, and at least two\n"); FPRINTF(STDOUTFILE "sequences in c are necessary), "); } if (numclust == 4) { FPRINTF(STDOUTFILE "four clusters a, b, c, and d\n"); FPRINTF(STDOUTFILE "(At least one sequence per cluster is necessary),\n"); } FPRINTF(STDOUTFILE "type x to exclude a sequence:\n\n"); for (i = 0; i < Maxspc; i++) { valid = FALSE; do { fputid10(STDOUT, i); FPRINTF(STDOUTFILE ": "); /* read one char */ ch = getchar(); if (ch != '\n') { do ; while (getchar() != '\n'); } ch = (char) tolower((int) ch); if (ch == 'a' || ch == 'b' || ch == 'x') valid = TRUE; if (numclust == 3 || numclust == 4) if (ch == 'c') valid = TRUE; if (numclust == 4) if (ch == 'd') valid = TRUE; } while (!valid); if (ch == 'a') { clusterA[clustA] = i; clustA++; } if (ch == 'b') { clusterB[clustB] = i; clustB++; } if (ch == 'c') { clusterC[clustC] = i; clustC++; } if (ch == 'd') { clusterD[clustD] = i; clustD++; } } /* check clusters */ valid = TRUE; if (numclust == 4) { if (clustA == 0) { valid = FALSE; numclust = 1; FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster a\n"); } if (clustB == 0) { valid = FALSE; numclust = 1; FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster b\n"); } if (clustC == 0) { valid = FALSE; numclust = 1; FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster c\n"); } if (clustD == 0) { valid = FALSE; numclust = 1; FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster d\n"); } } if (numclust == 3) { if (clustA == 0) { valid = FALSE; numclust = 1; FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster a\n"); } if (clustB == 0) { valid = FALSE; numclust = 1; FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster b\n"); } if (clustC < 2) { valid = FALSE; numclust = 1; if (clustC == 0) FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster c\n"); else FPRINTF(STDOUTFILE "\n\n\nOnly one sequence in cluster c\n"); } } if (numclust == 2) { if (clustA < 2) { valid = FALSE; numclust = 1; if (clustA == 0) FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster a\n"); else FPRINTF(STDOUTFILE "\n\n\nOnly one sequence in cluster a\n"); } if (clustB < 2) { valid = FALSE; numclust = 1; if (clustB == 0) FPRINTF(STDOUTFILE "\n\n\nNo sequence in cluster b\n"); else FPRINTF(STDOUTFILE "\n\n\nOnly one sequence in cluster b\n"); } } if (valid) { FPRINTF(STDOUTFILE "\nNumber of sequences in each cluster:\n\n"); FPRINTF(STDOUTFILE "Cluster a: %d\n", clustA); FPRINTF(STDOUTFILE "Cluster b: %d\n", clustB); if (numclust > 2) FPRINTF(STDOUTFILE "Cluster c: %d\n", clustC); if (numclust == 4) FPRINTF(STDOUTFILE "Cluster d: %d\n", clustD); FPRINTF(STDOUTFILE "\nExcluded sequences: "); if (numclust == 2) FPRINTF(STDOUTFILE "%d\n", Maxspc-clustA-clustB); if (numclust == 3) FPRINTF(STDOUTFILE "%d\n", Maxspc-clustA-clustB-clustC); if (numclust == 4) FPRINTF(STDOUTFILE "%d\n", Maxspc-clustA-clustB-clustC-clustD); } } } /* number of resulting quartets */ compnumqts(); } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'd': if (auto_datatype == AUTO_GUESS) { auto_datatype = AUTO_OFF; guessdata_optn = data_optn; data_optn = 0; } else { data_optn = data_optn + 1; if (data_optn == 3) { auto_datatype = AUTO_GUESS; data_optn = guessdata_optn; } } /* translate characters into format used by ML engine */ translatedataset(); estimatebasefreqs(); break; case 'u': if (puzzlemode == QUARTPUZ && typ_optn == TREERECON_OPTN) show_optn = 1 - show_optn; else FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); break; case 'j': if (puzzlemode == QUARTPUZ && typ_optn == TREERECON_OPTN) listqptrees = (listqptrees + 1) % 4; else FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); break; case 'v': if (puzzlemode == QUARTPUZ && typ_optn == TREERECON_OPTN) approxqp = 1 - approxqp; else FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); break; case 'f': if (Frequ_optn) { tstvf84 = 0.0; Frequ_optn = FALSE; sumfreq = 0.0; if (data_optn == AMINOACID) FPRINTF(STDOUTFILE "\n\n\nAmino acid"); else if (data_optn == NUCLEOTIDE && SH_optn) FPRINTF(STDOUTFILE "\n\n\nDoublet"); else if (data_optn == NUCLEOTIDE && nuc_optn) FPRINTF(STDOUTFILE "\n\n\nNucleotide"); else if (data_optn == BINARY) FPRINTF(STDOUTFILE "\n\n\nBinary state"); FPRINTF(STDOUTFILE " frequencies (in %%):\n\n"); for (i = 0; i < gettpmradix() - 1; i++) { FPRINTF(STDOUTFILE "pi(%s) = ", int2code(i)); scanf("%lf", &(Freqtpm[i])); do ; while (getchar() != '\n'); Freqtpm[i] = Freqtpm[i]/100.0; if (Freqtpm[i] < 0.0) { FPRINTF(STDOUTFILE "\n\n\nNegative frequency not possible\n"); estimatebasefreqs(); break; } sumfreq = sumfreq + Freqtpm[i]; if (sumfreq > 1.0) { FPRINTF(STDOUTFILE "\n\n\nThe sum of "); FPRINTF(STDOUTFILE "all frequencies exceeds"); FPRINTF(STDOUTFILE " 100%%\n"); estimatebasefreqs(); break; } if (i == gettpmradix() - 2) Freqtpm[i+1] = 1.0 - sumfreq; } } else estimatebasefreqs(); break; case 's': if (data_optn == NUCLEOTIDE && SH_optn) { sym_optn = 1 - sym_optn; } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'n': if (puzzlemode == QUARTPUZ && typ_optn == TREERECON_OPTN) { FPRINTF(STDOUTFILE "\n\n\nNumber of puzzling steps: "); scanf("%lu", &Numtrial); do ; while (getchar() != '\n'); if (Numtrial < 1) { FPRINTF(STDOUTFILE "\n\n\nThe number of puzzling"); FPRINTF(STDOUTFILE " steps can't be smaller than one\n"); Numtrial = 1000; } } else if (typ_optn == LIKMAPING_OPTN) { FPRINTF(STDOUTFILE "\n\nEnter zero to use all possible"); FPRINTF(STDOUTFILE " quartets in the analysis!\n"); FPRINTF(STDOUTFILE "\nNumber of random quartets: "); scanf("%lu", &lmqts); do ; while (getchar() != '\n'); /* compute number of quartets used */ compnumqts(); } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'o': if (puzzlemode == QUARTPUZ && typ_optn == TREERECON_OPTN) { FPRINTF(STDOUTFILE "\n\n\nSequence to be displayed as outgroup (1-%d): ", Maxspc); scanf("%d", &outgroup); do ; while (getchar() != '\n'); if (outgroup < 1 || outgroup > Maxspc) { FPRINTF(STDOUTFILE "\n\n\nSequences are numbered "); FPRINTF(STDOUTFILE "from 1 to %d\n", Maxspc); outgroup = 1; } outgroup = outgroup - 1; } else { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } break; case 'm': if (data_optn == NUCLEOTIDE) { /* nucleotide data */ if(HKY_optn && nuc_optn) { /* HKY -> TN */ tstvf84 = 0.0; TSparam = 2.0; YRparam = 0.9; HKY_optn = FALSE; TN_optn = TRUE; optim_optn = TRUE; nuc_optn = TRUE; SH_optn = FALSE; break; } if(TN_optn && nuc_optn) { if (Maxseqc % 2 == 0 || Maxseqc % 3 == 0) { /* number of chars needs to be a multiple 2 or 3 */ /* TN -> SH */ if (Maxseqc % 2 != 0 && Maxseqc % 3 == 0) SHcodon = TRUE; else SHcodon = FALSE; tstvf84 = 0.0; TSparam = 2.0; YRparam = 1.0; HKY_optn = TRUE; TN_optn = FALSE; optim_optn = TRUE; nuc_optn = FALSE; SH_optn = TRUE; /* translate characters into format */ /* used by ML engine */ translatedataset(); estimatebasefreqs(); } else { FPRINTF(STDOUTFILE "\n\n\nSH model not "); FPRINTF(STDOUTFILE "available for the data set!\n"); /* TN -> HKY */ tstvf84 = 0.0; TSparam = 2.0; YRparam = 1.0; HKY_optn = TRUE; TN_optn = FALSE; optim_optn = TRUE; nuc_optn = TRUE; SH_optn = FALSE; } break; } if(SH_optn) { /* SH -> HKY */ tstvf84 = 0.0; TSparam = 2.0; YRparam = 1.0; HKY_optn = TRUE; TN_optn = FALSE; optim_optn = TRUE; nuc_optn = TRUE; SH_optn = FALSE; /* translate characters into format */ /* used by ML engine */ translatedataset(); estimatebasefreqs(); break; } break; } if (data_optn == AMINOACID) { /* amino acid data */ if (auto_aamodel) { /* AUTO -> Dayhoff */ Dayhf_optn = TRUE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } if (Dayhf_optn) { /* Dayhoff -> JTT */ Dayhf_optn = FALSE; Jtt_optn = TRUE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } if (Jtt_optn) { /* JTT -> mtREV */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = TRUE; cprev_optn = FALSE; blosum62_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } #ifdef CPREV if (mtrev_optn) { /* mtREV -> cpREV */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = TRUE; blosum62_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } #else /* ! CPREV */ if (mtrev_optn) { /* mtREV -> BLOSUM 62 */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = TRUE; vtmv_optn = FALSE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } #endif /* ! CPREV */ #ifdef CPREV if (cprev_optn) { /* cpREV -> BLOSUM 62 */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = TRUE; vtmv_optn = FALSE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } #endif if (blosum62_optn) { /* BLOSUM 62 -> VT model */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = FALSE; vtmv_optn = TRUE; wag_optn = FALSE; auto_aamodel = AUTO_OFF; break; } if (vtmv_optn) { /* VT model -> WAG model */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = FALSE; vtmv_optn = FALSE; wag_optn = TRUE; auto_aamodel = AUTO_OFF; break; } if (wag_optn) { /* WAG model -> AUTO */ Dayhf_optn = guessDayhf_optn; Jtt_optn = guessJtt_optn; mtrev_optn = guessmtrev_optn; cprev_optn = guesscprev_optn; blosum62_optn = guessblosum62_optn; vtmv_optn = guessvtmv_optn; wag_optn = guesswag_optn; auto_aamodel = guessauto_aamodel; break; } break; } if (data_optn == BINARY) { FPRINTF(STDOUTFILE "\n\n\nNo other model available!\n"); } break; case 't': if (data_optn != NUCLEOTIDE) { FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } else { tstvf84 = 0.0; FPRINTF(STDOUTFILE "\n\n\nEnter an invalid value for "); FPRINTF(STDOUTFILE "estimation from data set!\n"); FPRINTF(STDOUTFILE "\nTransition/transversion parameter (%.2f-%.2f): ", MINTS, MAXTS); scanf("%lf", &TSparam); do ; while (getchar() != '\n'); if (TSparam < MINTS || TSparam > MAXTS) { optim_optn = TRUE; TSparam = 2.0; } else { optim_optn = FALSE; } } break; case 'q': FPRINTF(STDOUTFILE "\n\n\n"); # if PARALLEL PP_SendDone(); MPI_Finalize(); # endif /* PARALLEL */ exit(0); break; case 'r': if (!(TN_optn && nuc_optn)){ FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } else { tstvf84 = 0.0; FPRINTF(STDOUTFILE "\n\n\nEnter an invalid value "); FPRINTF(STDOUTFILE "for estimation from data set!\n"); FPRINTF(STDOUTFILE "\nY/R transition parameter (%.2f-%.2f): ", MINYR, MAXYR); scanf("%lf", &YRparam); do ; while (getchar() != '\n'); if (YRparam < MINYR || YRparam > MAXYR) { optim_optn = TRUE; YRparam = 0.9; } else if (YRparam == 1.0) { TN_optn = FALSE; HKY_optn = TRUE; if (optim_optn) TSparam = 2.0; } else { optim_optn = FALSE; } } break; case 'p': if (!(TN_optn && nuc_optn)){ FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); } else { FPRINTF(STDOUTFILE "\n\n\nThe F84 model (Felsenstein 1984) is a restricted"); FPRINTF(STDOUTFILE " TN model, and the one\nF84 parameter uniquely"); FPRINTF(STDOUTFILE " determines the two corresponding TN parameters!\n\n"); FPRINTF(STDOUTFILE "F84 expected transition/transversion ratio: "); scanf("%lf", &tstvf84); do ; while (getchar() != '\n'); if (tstvf84 <= 0.0) tstvf84 = 0.0; else makeF84model(); } break; case 'y': break; default: FPRINTF(STDOUTFILE "\n\n\nThis is not a possible option!\n"); break; } } while (ch != 'y'); FPRINTF(STDOUTFILE "\n\n\n"); } /* open file for reading */ void openfiletoread(FILE **fp, char name[], char descr[]) { int count = 0; cvector str; if ((*fp = fopen(name, "r")) == NULL) { FPRINTF(STDOUTFILE "\n\n\nPlease enter a file name for the %s: ", descr); str = mygets(); while ((*fp = fopen(str, "r")) == NULL) { count++; if (count > 10) { FPRINTF(STDOUTFILE "\n\n\nToo many trials - quitting ...\n"); exit(1); } FPRINTF(STDOUTFILE "File '%s' not found, ", str); FPRINTF(STDOUTFILE "please enter alternative name: "); free_cvector(str); str = mygets(); } free_cvector(str); FPRINTF(STDOUTFILE "\n"); } } /* openfiletoread */ /* open file for writing */ void openfiletowrite(FILE **fp, char name[], char descr[]) { int count = 0; cvector str; if ((*fp = fopen(name, "w")) == NULL) { FPRINTF(STDOUTFILE "\n\n\nPlease enter a file name for the %s: ", descr); str = mygets(); while ((*fp = fopen(str, "w")) == NULL) { count++; if (count > 10) { FPRINTF(STDOUTFILE "\n\n\nToo many trials - quitting ...\n"); exit(1); } FPRINTF(STDOUTFILE "File '%s' not created, ", str); FPRINTF(STDOUTFILE "please enter other name: "); free_cvector(str); str = mygets(); } free_cvector(str); FPRINTF(STDOUTFILE "\n"); } } /* openfiletowrite */ /* open file for appending */ void openfiletoappend(FILE **fp, char name[], char descr[]) { int count = 0; cvector str; if ((*fp = fopen(name, "a")) == NULL) { FPRINTF(STDOUTFILE "\n\n\nPlease enter a file name for the %s: ", descr); str = mygets(); while ((*fp = fopen(str, "a")) == NULL) { count++; if (count > 10) { FPRINTF(STDOUTFILE "\n\n\nToo many trials - quitting ...\n"); exit(1); } FPRINTF(STDOUTFILE "File '%s' not created, ", str); FPRINTF(STDOUTFILE "please enter other name: "); free_cvector(str); str = mygets(); } free_cvector(str); FPRINTF(STDOUTFILE "\n"); } } /* openfiletowrite */ /* close file */ void closefile(FILE *fp) { fclose(fp); } /* closefile */ /* symmetrize doublet frequencies */ void symdoublets() { int i, imean; double mean; if (data_optn == NUCLEOTIDE && SH_optn && sym_optn) { /* ML frequencies */ mean = (Freqtpm[1] + Freqtpm[4])/2.0; /* AC CA */ Freqtpm[1] = mean; Freqtpm[4] = mean; mean = (Freqtpm[2] + Freqtpm[8])/2.0; /* AG GA */ Freqtpm[2] = mean; Freqtpm[8] = mean; mean = (Freqtpm[3] + Freqtpm[12])/2.0; /* AT TA */ Freqtpm[3] = mean; Freqtpm[12] = mean; mean = (Freqtpm[6] + Freqtpm[9])/2.0; /* CG GC */ Freqtpm[6] = mean; Freqtpm[9] = mean; mean = (Freqtpm[7] + Freqtpm[13])/2.0; /* CT TC */ Freqtpm[7] = mean; Freqtpm[13] = mean; mean = (Freqtpm[11] + Freqtpm[14])/2.0; /* GT TG */ Freqtpm[11] = mean; Freqtpm[14] = mean; /* base composition of each taxon */ for (i = 0; i < Maxspc; i++) { imean = (Basecomp[i][1] + Basecomp[i][4])/2; /* AC CA */ Basecomp[i][1] = imean; Basecomp[i][4] = imean; imean = (Basecomp[i][2] + Basecomp[i][8])/2; /* AG GA */ Basecomp[i][2] = imean; Basecomp[i][8] = imean; imean = (Basecomp[i][3] + Basecomp[i][12])/2; /* AT TA */ Basecomp[i][3] = imean; Basecomp[i][12] = imean; imean = (Basecomp[i][6] + Basecomp[i][9])/2; /* CG GC */ Basecomp[i][6] = imean; Basecomp[i][9] = imean; imean = (Basecomp[i][7] + Basecomp[i][13])/2; /* CT TC */ Basecomp[i][7] = imean; Basecomp[i][13] = imean; imean = (Basecomp[i][11] + Basecomp[i][14])/2; /* GT TG */ Basecomp[i][11] = imean; Basecomp[i][14] = imean; } } } /* show Ts/Tv ratio and Ts Y/R ratio */ void computeexpectations() { double AlphaYBeta, AlphaRBeta, piR, piY, num, denom, pyr, pur; if (nuc_optn == TRUE) { /* 4x4 nucs */ piR = Freqtpm[0] + Freqtpm[2]; piY = Freqtpm[1] + Freqtpm[3]; AlphaRBeta = 4.0*TSparam / (1 + YRparam); AlphaYBeta = AlphaRBeta * YRparam; tstvratio = (AlphaRBeta*Freqtpm[0]*Freqtpm[2] + AlphaYBeta*Freqtpm[1]*Freqtpm[3])/(piR * piY); yrtsratio = (AlphaYBeta*Freqtpm[1]*Freqtpm[3]) / (AlphaRBeta*Freqtpm[0]*Freqtpm[2]); } else { /* 16x16 nucs */ pyr = Freqtpm[1]*Freqtpm[3] + Freqtpm[5]*Freqtpm[7] + Freqtpm[9]*Freqtpm[11] + Freqtpm[4]*Freqtpm[12] + Freqtpm[5]*Freqtpm[13] + Freqtpm[6]*Freqtpm[14] + Freqtpm[7]*Freqtpm[15] + Freqtpm[13]*Freqtpm[15]; pur = Freqtpm[0]*Freqtpm[2] + Freqtpm[4]*Freqtpm[6] + Freqtpm[0]*Freqtpm[8] + Freqtpm[1]*Freqtpm[9] + Freqtpm[2]*Freqtpm[10] + Freqtpm[8]*Freqtpm[10] + Freqtpm[3]*Freqtpm[11] + Freqtpm[12]*Freqtpm[14]; num = pyr + pur; denom = Freqtpm[0]*Freqtpm[1] + Freqtpm[1]*Freqtpm[2] + Freqtpm[0]*Freqtpm[3] + Freqtpm[2]*Freqtpm[3] + Freqtpm[0]*Freqtpm[4] + Freqtpm[1]*Freqtpm[5] + Freqtpm[4]*Freqtpm[5] + Freqtpm[2]*Freqtpm[6] + Freqtpm[5]*Freqtpm[6] + Freqtpm[3]*Freqtpm[7] + Freqtpm[4]*Freqtpm[7] + Freqtpm[6]*Freqtpm[7] + Freqtpm[4]*Freqtpm[8] + Freqtpm[5]*Freqtpm[9] + Freqtpm[8]*Freqtpm[9] + Freqtpm[6]*Freqtpm[10] + Freqtpm[9]*Freqtpm[10] + Freqtpm[7]*Freqtpm[11] + Freqtpm[8]*Freqtpm[11] + Freqtpm[10]*Freqtpm[11] + Freqtpm[0]*Freqtpm[12] + Freqtpm[8]*Freqtpm[12] + Freqtpm[1]*Freqtpm[13] + Freqtpm[9]*Freqtpm[13] + Freqtpm[12]*Freqtpm[13] + Freqtpm[2]*Freqtpm[14] + Freqtpm[10]*Freqtpm[14] + Freqtpm[13]*Freqtpm[14] + Freqtpm[3]*Freqtpm[15] + Freqtpm[11]*Freqtpm[15] + Freqtpm[12]*Freqtpm[15] + Freqtpm[14]*Freqtpm[15]; tstvratio = 2.0*TSparam * num/denom; yrtsratio = pyr/pur; } } /* write ML distance matrix to file */ void putdistance(FILE *fp) { int i, j; fprintf(fp, " %d\n", Maxspc); for (i = 0; i < Maxspc; i++) { fputid10(fp, i); for (j = 0; j < Maxspc; j++) { fprintf(fp, " %.5f", Distanmat[i][j]/100.0); /* seven in one row */ if ((j + 1) % 7 == 0 && j+1 != Maxspc) fprintf(fp, "\n "); } fprintf(fp, "\n"); } } /* find identical sequences */ void findidenticals(FILE *fp) { int i, j, noids; cvector useqs; useqs = new_cvector(Maxspc); for (i = 0; i < Maxspc; i++) useqs[i] = 0; noids = TRUE; for (i = 0; i < Maxspc && noids; i++) for (j = i + 1; j < Maxspc && noids; j++) if (Distanmat[i][j] == 0.0) noids = FALSE; if (noids) fprintf(fp, " All sequences are unique.\n"); else { for (i = 0; i < Maxspc; i++) { noids = TRUE; for (j = i + 1; j < Maxspc && noids; j++) if (Distanmat[i][j] == 0.0) noids = FALSE; if (!noids && useqs[i] == 0) { fputid(fp, i); useqs[i] = 1; for (j = i + 1; j < Maxspc; j++) if (Distanmat[i][j] == 0.0) { fprintf(fp, ", "); fputid(fp, j); useqs[j] = 1; } fprintf(fp, ".\n"); } } } free_cvector(useqs); } /* compute average distance */ double averagedist() { int i, j; double sum; sum = 0.0; for (i = 0; i < Maxspc; i++) for (j = i + 1; j < Maxspc; j++) sum = sum + Distanmat[i][j]; sum = sum / (double) Maxspc / ((double) Maxspc - 1.0) * 2.0; return sum; } /* first lines of EPSF likelihood mapping file */ void initps(FILE *ofp) { fprintf(ofp, "%%!PS-Adobe-3.0 EPSF-3.0\n"); fprintf(ofp, "%%%%BoundingBox: 60 210 550 650\n"); fprintf(ofp, "%%%%Pages: 1\n"); # ifndef ALPHA fprintf(ofp, "%%%%Creator: %s (version %s)\n", PACKAGE, VERSION); # else fprintf(ofp, "%%%%Creator: %s (version %s%s)\n", PACKAGE, VERSION, ALPHA); # endif fprintf(ofp, "%%%%Title: Likelihood Mapping Analysis\n"); fprintf(ofp, "%%%%CreationDate: %s", asctime(localtime(&Starttime)) ); fprintf(ofp, "%%%%DocumentFonts: Helvetica\n"); fprintf(ofp, "%%%%DocumentNeededFonts: Helvetica\n"); fprintf(ofp, "%%%%EndComments\n"); fprintf(ofp, "%% use inch as unit\n"); fprintf(ofp, "/inch {72 mul} def\n"); fprintf(ofp, "%% triangle side length (3 inch)\n"); fprintf(ofp, "/tl {3 inch mul} def\n"); fprintf(ofp, "%% plot one dot (x-y coordinates on stack)\n"); fprintf(ofp, "/dot {\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, "0.002 tl 0 360 arc %% radius is 0.002 of the triangle length\n"); fprintf(ofp, "closepath\n"); fprintf(ofp, "fill\n"); fprintf(ofp, "} def\n"); fprintf(ofp, "%% preamble\n"); fprintf(ofp, "/Helvetica findfont\n"); fprintf(ofp, "12 scalefont\n"); fprintf(ofp, "setfont\n"); fprintf(ofp, "%% 0/0 for triangle of triangles\n"); fprintf(ofp, "0.9 inch 3 inch translate\n"); fprintf(ofp, "%% first triangle (the one with dots)\n"); fprintf(ofp, "0.6 tl 1.2 tl 0.8660254038 mul translate\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.0 tl 0.0 tl moveto\n"); fprintf(ofp, " 1.0 tl 0.0 tl lineto\n"); fprintf(ofp, " 0.5 tl 0.8660254038 tl lineto\n"); fprintf(ofp, "closepath\n"); fprintf(ofp, "stroke\n"); } /* plot one point of likelihood mapping analysis */ void plotlmpoint(FILE *ofp, double w1, double w2) { fprintf(ofp,"%.10f tl %.10f tl dot\n", 0.5*w1 + w2, w1*0.8660254038); } /* last lines of EPSF likelihood mapping file */ void finishps(FILE *ofp) { fprintf(ofp, "stroke\n"); fprintf(ofp, "%% second triangle (the one with 3 basins)\n"); fprintf(ofp, "/secondtriangle {\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.0 tl 0.0 tl moveto\n"); fprintf(ofp, " 1.0 tl 0.0 tl lineto\n"); fprintf(ofp, " 0.5 tl 0.8660254038 tl lineto\n"); fprintf(ofp, "closepath\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.50 tl 0.2886751346 tl moveto\n"); fprintf(ofp, " 0.50 tl 0.0000000000 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.50 tl 0.2886751346 tl moveto\n"); fprintf(ofp, " 0.25 tl 0.4330127019 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.50 tl 0.2886751346 tl moveto\n"); fprintf(ofp, " 0.75 tl 0.4330127019 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "0.44 tl 0.5 tl moveto %% up\n"); fprintf(ofp, "(%.1f%%) show\n", (double) ar1*100.0/Numquartets); fprintf(ofp, "0.25 tl 0.15 tl moveto %% down left\n"); fprintf(ofp, "(%.1f%%) show\n", (double) ar3*100.0/Numquartets); fprintf(ofp, "0.63 tl 0.15 tl moveto %% down right\n"); fprintf(ofp, "(%.1f%%) show\n", (double) ar2*100.0/Numquartets); fprintf(ofp, "} def\n"); fprintf(ofp, "%% third triangle (the one with 7 basins)\n"); fprintf(ofp, "/thirdtriangle {\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.0 tl 0.0 tl moveto\n"); fprintf(ofp, " 1.0 tl 0.0 tl lineto\n"); fprintf(ofp, " 0.5 tl 0.8660254038 tl lineto\n"); fprintf(ofp, "closepath\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.25 tl 0.1443375673 tl moveto\n"); fprintf(ofp, " 0.75 tl 0.1443375673 tl lineto\n"); fprintf(ofp, " 0.50 tl 0.5773502692 tl lineto\n"); fprintf(ofp, "closepath\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.125 tl 0.2165063509 tl moveto\n"); fprintf(ofp, " 0.250 tl 0.1443375673 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.375 tl 0.6495190528 tl moveto\n"); fprintf(ofp, " 0.500 tl 0.5773502692 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.625 tl 0.6495190528 tl moveto\n"); fprintf(ofp, " 0.500 tl 0.5773502692 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.875 tl 0.2165063509 tl moveto\n"); fprintf(ofp, " 0.750 tl 0.1443375673 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.750 tl 0.00 tl moveto\n"); fprintf(ofp, " 0.750 tl 0.1443375673 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "newpath\n"); fprintf(ofp, " 0.250 tl 0.00 tl moveto\n"); fprintf(ofp, " 0.250 tl 0.1443375673 tl lineto\n"); fprintf(ofp, "stroke\n"); fprintf(ofp, "0.42 tl 0.66 tl moveto %% up\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg1*100.0/Numquartets); fprintf(ofp, "0.07 tl 0.05 tl moveto %% down left\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg3*100.0/Numquartets); fprintf(ofp, "0.77 tl 0.05 tl moveto %% down right\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg2*100.0/Numquartets); fprintf(ofp, "0.43 tl 0.05 tl moveto %% down side\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg5*100.0/Numquartets); fprintf(ofp, "0.43 tl 0.28 tl moveto %% center\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg7*100.0/Numquartets); fprintf(ofp, "gsave\n"); fprintf(ofp, "-60 rotate\n"); fprintf(ofp, "-0.07 tl 0.77 tl moveto %% right side\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg4*100.0/Numquartets); fprintf(ofp, "grestore\n"); fprintf(ofp, "gsave\n"); fprintf(ofp, "60 rotate\n"); fprintf(ofp, "0.4 tl -0.09 tl moveto %% left side\n"); fprintf(ofp, "(%.1f%%) show\n", (double) reg6*100.0/Numquartets); fprintf(ofp, "grestore\n"); fprintf(ofp, "} def\n"); fprintf(ofp, "%% print the other two triangles\n"); fprintf(ofp, "-0.6 tl -1.2 tl 0.8660254038 mul translate\n"); fprintf(ofp, "secondtriangle\n"); fprintf(ofp, "1.2 tl 0 translate\n"); fprintf(ofp, "thirdtriangle\n"); if (numclust == 4) { /* four cluster analysis */ fprintf(ofp, "%% label corners\n"); fprintf(ofp, "0.375 tl 0.9 tl moveto\n"); fprintf(ofp, "((a,b)-(c,d)) show %% CHANGE HERE IF NECESSARY\n"); fprintf(ofp, "-0.16 tl -0.08 tl moveto\n"); fprintf(ofp, "((a,d)-(b,c)) show %% CHANGE HERE IF NECESSARY\n"); fprintf(ofp, "0.92 tl -0.08 tl moveto\n"); fprintf(ofp, "((a,c)-(b,d)) show %% CHANGE HERE IF NECESSARY\n"); } if (numclust == 3) { /* three cluster analysis */ fprintf(ofp, "%% label corners\n"); fprintf(ofp, "0.375 tl 0.9 tl moveto\n"); fprintf(ofp, "((a,b)-(c,c)) show %% CHANGE HERE IF NECESSARY\n"); fprintf(ofp, "-0.16 tl -0.08 tl moveto\n"); fprintf(ofp, "((a,c)-(b,c)) show %% CHANGE HERE IF NECESSARY\n"); fprintf(ofp, "0.92 tl -0.08 tl moveto\n"); fprintf(ofp, "((a,c)-(b,c)) show %% CHANGE HERE IF NECESSARY\n"); } if (numclust == 2) { /* two cluster analysis */ fprintf(ofp, "%% label corners\n"); fprintf(ofp, "0.375 tl 0.9 tl moveto\n"); fprintf(ofp, "((a,a)-(b,b)) show %% CHANGE HERE IF NECESSARY\n"); fprintf(ofp, "-0.16 tl -0.08 tl moveto\n"); fprintf(ofp, "((a,b)-(a,b)) show %% CHANGE HERE IF NECESSARY\n"); fprintf(ofp, "0.92 tl -0.08 tl moveto\n"); fprintf(ofp, "((a,b)-(a,b)) show %% CHANGE HERE IF NECESSARY\n"); } fprintf(ofp, "showpage\n"); fprintf(ofp, "%%%%EOF\n"); } /* computes LM point from the three log-likelihood values, plots the point, and does some statistics */ void makelmpoint(FILE *fp, double b1, double b2, double b3) { double w1, w2, w3, temp; unsigned char qpbranching; double temp1, temp2, temp3, onethird; unsigned char discreteweight[3], treebits[3]; onethird = 1.0/3.0; treebits[0] = (unsigned char) 1; treebits[1] = (unsigned char) 2; treebits[2] = (unsigned char) 4; /* sort in descending order */ qweight[0] = b1; qweight[1] = b2; qweight[2] = b3; sort3doubles(qweight, qworder); /* compute Bayesian weights */ qweight[qworder[1]] = exp(qweight[qworder[1]]-qweight[qworder[0]]); qweight[qworder[2]] = exp(qweight[qworder[2]]-qweight[qworder[0]]); qweight[qworder[0]] = 1.0; temp = qweight[0] + qweight[1] + qweight[2]; qweight[0] = qweight[0]/temp; qweight[1] = qweight[1]/temp; qweight[2] = qweight[2]/temp; /* plot one point in likelihood mapping triangle */ w1 = qweight[0]; w2 = qweight[1]; w3 = qweight[2]; plotlmpoint(fp, w1, w2); /* check areas 1,2,3 */ if (treebits[qworder[0]] == 1) ar1++; else if (treebits[qworder[0]] == 2) ar2++; else ar3++; /* check out regions 1,2,3,4,5,6,7 */ /* 100 distribution */ temp1 = 1.0 - qweight[qworder[0]]; sqdiff[0] = temp1*temp1 + qweight[qworder[1]]*qweight[qworder[1]] + qweight[qworder[2]]*qweight[qworder[2]]; discreteweight[0] = treebits[qworder[0]]; /* 110 distribution */ temp1 = 0.5 - qweight[qworder[0]]; temp2 = 0.5 - qweight[qworder[1]]; sqdiff[1] = temp1*temp1 + temp2*temp2 + qweight[qworder[2]]*qweight[qworder[2]]; discreteweight[1] = treebits[qworder[0]] + treebits[qworder[1]]; /* 111 distribution */ temp1 = onethird - qweight[qworder[0]]; temp2 = onethird - qweight[qworder[1]]; temp3 = onethird - qweight[qworder[2]]; sqdiff[2] = temp1 * temp1 + temp2 * temp2 + temp3 * temp3; discreteweight[2] = (unsigned char) 7; /* sort in descending order */ sort3doubles(sqdiff, sqorder); qpbranching = (unsigned char) discreteweight[sqorder[2]]; if (qpbranching == 1) { reg1++; if (w2 < w3) reg1l++; else reg1r++; } if (qpbranching == 2) { reg2++; if (w1 < w3) reg2d++; else reg2u++; } if (qpbranching == 4) { reg3++; if (w1 < w2) reg3d++; else reg3u++; } if (qpbranching == 3) { reg4++; if (w1 < w2) reg4d++; else reg4u++; } if (qpbranching == 6) { reg5++; if (w2 < w3) reg5l++; else reg5r++; } if (qpbranching == 5) { reg6++; if (w1 < w3) reg6d++; else reg6u++; } if (qpbranching == 7) reg7++; } /* print tree statistics */ void printtreestats(FILE *ofp) { int i, j, besttree; double bestlkl, difflkl, difflklps, temp, sum; /* find best tree */ besttree = 0; bestlkl = ulkl[0]; for (i = 1; i < numutrees; i++) if (ulkl[i] > bestlkl) { besttree = i; bestlkl = ulkl[i]; } fprintf(ofp, "\n\nCOMPARISON OF USER TREES (NO CLOCK)\n\n"); fprintf(ofp, "Tree log L difference S.E. Significantly worse\n"); fprintf(ofp, "--------------------------------------------------------\n"); for (i = 0; i < numutrees; i++) { difflkl = ulkl[besttree]-ulkl[i]; fprintf(ofp, "%2d %10.2f %8.2f ", i+1, ulkl[i], difflkl); if (i == besttree) { fprintf(ofp, " <----------------- best tree"); } else { /* compute variance of Log L differences over sites */ difflklps = difflkl/(double)Maxsite; sum = 0.0; for (j = 0; j < Numptrn; j++) { temp = allsites[besttree][j] - allsites[i][j] - difflklps; sum += temp*temp*Weight[j]; } sum = sqrt(fabs(sum/(Maxsite-1.0)*Maxsite)); fprintf(ofp, "%11.2f ", sum); if (difflkl > 1.96*sum) fprintf(ofp, "yes"); else fprintf(ofp, "no"); } fprintf(ofp, "\n"); } fprintf(ofp, "\nThis test (5%% significance) follows Kishino and Hasegawa (1989).\n"); if (compclock) { /* find best tree */ besttree = 0; bestlkl = ulklc[0]; for (i = 1; i < numutrees; i++) if (ulklc[i] > bestlkl) { besttree = i; bestlkl = ulklc[i]; } fprintf(ofp, "\n\nCOMPARISON OF USER TREES (WITH CLOCK)\n\n"); fprintf(ofp, "Tree log L difference S.E. Significantly worse\n"); fprintf(ofp, "--------------------------------------------------------\n"); for (i = 0; i < numutrees; i++) { difflkl = ulklc[besttree]-ulklc[i]; fprintf(ofp, "%2d %10.2f %8.2f ", i+1, ulklc[i], difflkl); if (i == besttree) { fprintf(ofp, " <----------------- best tree"); } else { /* compute variance of Log L differences over sites */ difflklps = difflkl/(double)Maxsite; sum = 0.0; for (j = 0; j < Numptrn; j++) { temp = allsitesc[besttree][j] - allsitesc[i][j] - difflklps; sum += temp*temp*Weight[j]; } sum = sqrt(fabs(sum/(Maxsite-1.0)*Maxsite)); fprintf(ofp, "%11.2f ", sum); if (difflkl > 1.96*sum) fprintf(ofp, "yes"); else fprintf(ofp, "no"); } fprintf(ofp, "\n"); } fprintf(ofp, "\nThis test (5%% significance) follows Kishino and Hasegawa (1989).\n"); } } /* time stamp */ void timestamp(FILE* ofp) { double timespan; double cpuspan; timespan = difftime(Stoptime, Starttime); cpuspan = ((double) (Stopcpu - Startcpu) / CLOCKS_PER_SEC); fprintf(ofp, "\n\nTIME STAMP\n\n"); fprintf(ofp, "Date and time: %s", asctime(localtime(&Starttime)) ); fprintf(ofp, "Runtime (excl. input) : %.0f seconds (= %.1f minutes = %.1f hours)\n", timespan, timespan/60., timespan/3600.); fprintf(ofp, "Runtime (incl. input) : %.0f seconds (= %.1f minutes = %.1f hours)\n", fulltime, fulltime/60., fulltime/3600.); #ifdef TIMEDEBUG fprintf(ofp, "CPU time (incl. input): %.0f seconds (= %.1f minutes = %.1f hours)\n\n", fullcpu, fullcpu/60., fullcpu/3600.); #endif /* TIMEDEBUG */ } /* extern int bestrfound; */ /* write output file */ void writeoutputfile(FILE *ofp, int part) { int i, fail, df; uli li; double pval, delta; if ((part == WRITEPARAMS) || (part == WRITEALL)) { # ifndef ALPHA fprintf(ofp, "TREE-PUZZLE %s\n\n", VERSION); # else fprintf(ofp, "TREE-PUZZLE %s%s\n\n", VERSION, ALPHA); # endif fprintf(ofp, "Input file name: %s\n",INFILE); if (puzzlemode == USERTREE) fprintf(ofp, "User tree file name: %s\n",INTREE); fprintf(ofp, "Type of analysis: "); if (typ_optn == TREERECON_OPTN) fprintf(ofp, "tree reconstruction\n"); if (typ_optn == LIKMAPING_OPTN) fprintf(ofp, "likelihood mapping\n"); fprintf(ofp, "Parameter estimation: "); if (approxp_optn) fprintf(ofp, "approximate (faster)\n"); else fprintf(ofp, "accurate (slow)\n"); if (!(puzzlemode == USERTREE && typ_optn == TREERECON_OPTN)) { fprintf(ofp, "Parameter estimation uses: "); if (qcalg_optn) fprintf(ofp, "quartet sampling (for substitution process) + NJ tree (for rate variation)\n"); else fprintf(ofp, "neighbor-joining tree (for substitution process and rate variation)\n"); } else { fprintf(ofp, "Parameter estimation uses: "); if (utree_optn) fprintf(ofp, "1st user tree (for substitution process and rate variation)\n"); else if (qcalg_optn) fprintf(ofp, "quartet sampling (for substitution process) + NJ tree (for rate variation)\n"); else fprintf(ofp, "neighbor-joining tree (for substitution process and rate variation)\n"); } fprintf(ofp, "\nStandard errors (S.E.) are obtained by the curvature method.\n"); fprintf(ofp, "The upper and lower bounds of an approximate 95%% confidence interval\n"); fprintf(ofp, "for parameter or branch length x are x-1.96*S.E. and x+1.96*S.E.\n"); fprintf(ofp, "\n\n"); fprintf(ofp, "SEQUENCE ALIGNMENT\n\n"); fprintf(ofp, "Input data: %d sequences with %d ", Maxspc, Maxsite); if (data_optn == AMINOACID) fprintf(ofp, "amino acid"); else if (data_optn == NUCLEOTIDE && SH_optn) fprintf(ofp, "doublet (%d nucleotide)", Maxsite*2); else if (data_optn == NUCLEOTIDE && nuc_optn) fprintf(ofp, "nucleotide"); else if (data_optn == BINARY) fprintf(ofp, "binary state"); fprintf(ofp, " sites"); if (data_optn == NUCLEOTIDE && (Maxseqc % 3) == 0 && !SH_optn) { if (codon_optn == 1) fprintf(ofp, " (1st codon positions)"); if (codon_optn == 2) fprintf(ofp, " (2nd codon positions)"); if (codon_optn == 3) fprintf(ofp, " (3rd codon positions)"); if (codon_optn == 4) fprintf(ofp, " (1st and 2nd codon positions)"); } if (data_optn == NUCLEOTIDE && SH_optn) { if (SHcodon) fprintf(ofp, " (1st and 2nd codon positions)"); else fprintf(ofp, " (1st+2nd, 3rd+4th, etc. site)"); } fprintf(ofp, "\n"); fprintf(ofp, "Number of constant sites: %d (= %.1f%% of all sites)\n", Numconst, 100.0*fracconst); fprintf(ofp, "Number of site patterns: %d\n", Numptrn); fprintf(ofp, "Number of constant site patterns: %d (= %.1f%% of all site patterns)\n\n\n", Numconstpat, 100.0*fracconstpat); fprintf(ofp, "SUBSTITUTION PROCESS\n\n"); fprintf(ofp, "Model of substitution: "); if (data_optn == NUCLEOTIDE) { /* nucleotides */ if (nuc_optn) { if(HKY_optn) fprintf(ofp, "HKY (Hasegawa et al. 1985)\n"); else fprintf(ofp, "TN (Tamura-Nei 1993)\n"); fprintf(ofp, "Transition/transversion parameter"); if (optim_optn) fprintf(ofp, " (estimated from data set)"); fprintf(ofp, ": %.2f", TSparam); if (optim_optn) fprintf(ofp, " (S.E. %.2f)", tserr); fprintf(ofp, "\n"); if (optim_optn && TSparam > MAXTS - 1.0) fprintf(ofp, "WARNING --- parameter estimate close to internal upper bound!\n"); if (optim_optn && TSparam < MINTS + 0.1) fprintf(ofp, "WARNING --- parameter estimate close to internal lower bound!\n"); if (TN_optn) { fprintf(ofp, "Y/R transition parameter"); if (optim_optn) fprintf(ofp, " (estimated from data set)"); fprintf(ofp, ": %.2f", YRparam); if (optim_optn) fprintf(ofp, " (S.E. %.2f)", yrerr); fprintf(ofp, "\n"); if (optim_optn && YRparam > MAXYR - 0.5) fprintf(ofp, "WARNING --- parameter estimate close to internal upper bound!\n"); if (optim_optn && YRparam < MINYR + 0.1) fprintf(ofp, "WARNING --- parameter estimate close to internal lower bound!\n"); } } if (SH_optn) { fprintf(ofp, "SH (Schoeniger-von Haeseler 1994)\n"); fprintf(ofp, "Transition/transversion parameter"); if (optim_optn) fprintf(ofp, " (estimated from data set)"); fprintf(ofp, ": %.2f\n", TSparam); if (optim_optn) fprintf(ofp, " (S.E. %.2f)", tserr); fprintf(ofp, "\n"); if (optim_optn && TSparam > MAXTS - 1.0) fprintf(ofp, "WARNING --- parameter estimate close to internal upper bound!\n"); if (optim_optn && TSparam < MINTS + 0.1) fprintf(ofp, "WARNING --- parameter estimate close to internal lower bound!\n"); } } if (data_optn == AMINOACID) { /* amino acids */ if (Dayhf_optn) fprintf(ofp, "Dayhoff (Dayhoff et al. 1978)\n"); if (Jtt_optn) fprintf(ofp, "JTT (Jones et al. 1992)\n"); if (mtrev_optn) fprintf(ofp, "mtREV24 (Adachi-Hasegawa 1996)\n"); if (cprev_optn) fprintf(ofp, "cpREV45 (Adachi et al. 2000)\n"); if (blosum62_optn) fprintf(ofp, "BLOSUM 62 (Henikoff-Henikoff 1992)\n"); if (vtmv_optn) fprintf(ofp, "VT (Mueller-Vingron 2000)\n"); if (wag_optn) fprintf(ofp, "WAG (Whelan-Goldman 2000)\n"); } if (data_optn == BINARY) { /* binary states */ fprintf(ofp, "Two-state model (Felsenstein 1981)\n"); } if (data_optn == AMINOACID) fprintf(ofp, "Amino acid "); else if (data_optn == NUCLEOTIDE && SH_optn) fprintf(ofp, "Doublet "); else if (data_optn == NUCLEOTIDE && nuc_optn) fprintf(ofp, "Nucleotide "); else if (data_optn == BINARY) fprintf(ofp, "Binary state "); fprintf(ofp, "frequencies ("); if (Frequ_optn) fprintf(ofp, "estimated from data set"); else fprintf(ofp, "user specified"); if (data_optn == NUCLEOTIDE && SH_optn && sym_optn) fprintf(ofp, " and symmetrized"); fprintf(ofp, "):\n\n"); for (i = 0; i < gettpmradix(); i++) fprintf(ofp, " pi(%s) = %5.1f%%\n", int2code(i), Freqtpm[i]*100); if (data_optn == NUCLEOTIDE) { fprintf(ofp, "\nExpected transition/transversion ratio: %.2f", tstvratio); if (tstvf84 == 0.0) fprintf(ofp, "\n"); else fprintf(ofp, " (= F84 parameter)\n"); fprintf(ofp, "Expected pyrimidine transition/purine transition"); fprintf(ofp, " ratio: %.2f\n", yrtsratio); if (tstvf84 != 0.0 && TN_optn) fprintf(ofp, "This TN model is equivalent to a F84 model (Felsenstein 1984).\n"); } fprintf(ofp, "\n\nRATE HETEROGENEITY\n\n"); fprintf(ofp, "Model of rate heterogeneity: "); if (rhetmode == UNIFORMRATE) fprintf(ofp, "uniform rate\n"); if (rhetmode == GAMMARATE ) fprintf(ofp, "Gamma distributed rates\n"); if (rhetmode == TWORATE ) fprintf(ofp, "two rates (1 invariable + 1 variable)\n"); if (rhetmode == MIXEDRATE ) fprintf(ofp, "mixed (1 invariable + %d Gamma rates)\n", numcats); if (rhetmode == TWORATE || rhetmode == MIXEDRATE) { fprintf(ofp, "Fraction of invariable sites"); if (fracinv_optim) fprintf(ofp, " (estimated from data set)"); fprintf(ofp, ": %.2f", fracinv); if (fracinv_optim) fprintf(ofp, " (S.E. %.2f)", fierr); fprintf(ofp, "\n"); if (fracinv_optim && fracinv > MAXFI - 0.05) fprintf(ofp, "WARNING --- parameter estimate close to internal upper bound!\n"); fprintf(ofp, "Number of invariable sites: %.0f\n", floor(fracinv*Maxsite)); } if (rhetmode == GAMMARATE || rhetmode == MIXEDRATE) { fprintf(ofp, "Gamma distribution parameter alpha"); if (grate_optim) fprintf(ofp, " (estimated from data set)"); fprintf(ofp, ": %.2f", (1.0-Geta)/Geta); if (grate_optim) fprintf(ofp, " (S.E. %.2f)", geerr/(Geta*Geta)); /* first order approximation */ fprintf(ofp, "\n"); if (grate_optim && Geta > MAXGE - 0.02) fprintf(ofp, "WARNING --- parameter estimate close to internal upper bound!\n"); if (grate_optim && Geta < MINGE + 0.01) fprintf(ofp, "WARNING --- parameter estimate close to internal lower bound!\n"); fprintf(ofp, "Number of Gamma rate categories: %d\n", numcats); } if (rhetmode == MIXEDRATE) { fprintf(ofp, "Total rate heterogeneity (invariable sites + Gamma model): "); fprintf(ofp, "%.2f", fracinv + Geta - fracinv*Geta); if (grate_optim && fracinv_optim) fprintf(ofp, " (S.E. %.2f)", geerr + fierr); /* first order approximation */ else if (grate_optim && !fracinv_optim) fprintf(ofp, " (S.E. %.2f)", geerr); else if (!grate_optim && fracinv_optim) fprintf(ofp, " (S.E. %.2f)", fierr); fprintf(ofp, "\n"); } if (rhetmode != UNIFORMRATE) { fprintf(ofp, "\nRates and their respective probabilities used in the likelihood function:\n"); fprintf(ofp, "\n Category Relative rate Probability\n"); if (rhetmode == TWORATE || rhetmode == MIXEDRATE) fprintf(ofp, " 0 0.0000 %.4f\n", fracinv); for (i = 0; i < numcats; i++) fprintf(ofp, " %d %.4f %.4f\n", i+1, Rates[i], (1.0-fracinv)/(double) numcats); } if (rhetmode == GAMMARATE || rhetmode == MIXEDRATE) { fprintf(ofp, "\nCategories 1-%d approximate a continuous ", numcats); fprintf(ofp, "Gamma-distribution with expectation 1\n"); fprintf(ofp, "and variance "); if (Geta == 1.0) fprintf(ofp, "infinity"); else fprintf(ofp, "%.2f", Geta/(1.0-Geta)); fprintf(ofp, ".\n"); } if (typ_optn == TREERECON_OPTN && (puzzlemode == QUARTPUZ || puzzlemode == USERTREE)) if (rhetmode != UNIFORMRATE) { fprintf(ofp, "\nCombination of categories that contributes"); fprintf(ofp, " the most to the likelihood\n"); fprintf(ofp, "(computation done without clock assumption assuming "); if (puzzlemode == QUARTPUZ) fprintf(ofp, "quartet-puzzling tree"); if (puzzlemode == USERTREE) { if (utree_optn) fprintf(ofp, "1st user tree"); else fprintf(ofp, "NJ tree"); } fprintf(ofp, "):\n\n"); if (bestratefound==0) findbestratecombination(); printbestratecombination(ofp); } fprintf(ofp, "\n\nSEQUENCE COMPOSITION (SEQUENCES IN INPUT ORDER)\n\n"); fail = FALSE; fprintf(ofp, " 5%% chi-square test p-value\n"); for (i = 0; i < Maxspc; i++) { fprintf(ofp, " "); fputid10(ofp, i); pval = homogentest(i); if ( pval < 0.05 ) fprintf(ofp, " failed "); else fprintf(ofp, " passed "); if (chi2fail) fail = TRUE; fprintf(ofp, " %6.2f%% ", pval*100.0); fprintf(ofp, "\n"); } fprintf(ofp, "\n"); fprintf(ofp, "The chi-square tests compares the "); if (data_optn == AMINOACID) fprintf(ofp, "amino acid"); else if (data_optn == NUCLEOTIDE && SH_optn) fprintf(ofp, "doublet"); else if (data_optn == NUCLEOTIDE && nuc_optn) fprintf(ofp, "nucleotide"); else if (data_optn == BINARY) fprintf(ofp, "binary state"); fprintf(ofp," composition of each sequence\n"); fprintf(ofp, "to the frequency distribution assumed in the maximum likelihood model.\n"); if (fail) { fprintf(ofp, "\nWARNING: Result of chi-square test may not be valid"); fprintf(ofp, " because of small\nmaximum likelihood frequencies and"); fprintf(ofp, " short sequence length!\n"); } fprintf(ofp, "\n\nIDENTICAL SEQUENCES\n\n"); fprintf(ofp, "The sequences in each of the following groups are all identical. To speed\n"); fprintf(ofp, "up computation please remove all but one of each group from the data set.\n\n"); findidenticals(ofp); fprintf(ofp, "\n\nMAXIMUM LIKELIHOOD DISTANCES\n\n"); fprintf(ofp, "Maximum likelihood distances are computed using the "); fprintf(ofp, "selected model of\nsubstitution and rate heterogeneity.\n\n"); putdistance(ofp); fprintf(ofp, "\nAverage distance (over all possible pairs of sequences): %.5f\n", averagedist() / 100.0); } /* if WRITEPARAMS) || WRITEALL */ if ((part == WRITEREST) || (part == WRITEALL)) { if (puzzlemode == QUARTPUZ &&typ_optn == TREERECON_OPTN) { fprintf(ofp, "\n\nBAD QUARTET STATISTICS (SEQUENCES IN INPUT ORDER)\n\n"); for (i = 0; i < Maxspc; i++) { fprintf(ofp, " "); fputid10(ofp, i); if (badqs > 0) fprintf(ofp, " [%lu] %6.2f%%\n", badtaxon[i], (double) (100 * badtaxon[i]) / (double) badqs); else fprintf(ofp, " [%lu]\n", badtaxon[i]); } fprintf(ofp, "\nThe number in square brackets indicates how often each sequence is\n"); fprintf(ofp, "involved in one of the %lu completely unresolved quartets of the\n", badqs); fprintf(ofp, "quartet puzzling tree search.\n"); if (badqs > 0) fprintf(ofp, "Additionally the according percentages are given.\n"); } if (typ_optn == TREERECON_OPTN) { fprintf(ofp, "\n\nTREE SEARCH\n\n"); if (puzzlemode == QUARTPUZ) { fprintf(ofp, "Quartet puzzling is used to choose from the possible tree topologies\n"); fprintf(ofp, "and to simultaneously infer support values for internal branches.\n\n"); fprintf(ofp, "Number of puzzling steps: %lu\n", Numtrial); fprintf(ofp, "Analysed quartets: %lu\n", Numquartets); fprintf(ofp, "Unresolved quartets: %lu (= %.1f%%)\n", badqs, (double) badqs / (double) Numquartets * 100); fprintf(ofp, "\nQuartet trees are based on %s maximum likelihood values\n", (approxqp ? "approximate" : "exact")); fprintf(ofp, "using the selected model of substitution and rate heterogeneity.\n\n\n"); } if (puzzlemode == USERTREE) { fprintf(ofp, "%d tree topologies were specified by the user.\n", numutrees); } if (puzzlemode == PAIRDIST) { fprintf(ofp, "No tree search performed (maximum likelihood distances only).\n"); } if (puzzlemode == QUARTPUZ) { fprintf(ofp, "QUARTET PUZZLING TREE\n\n"); fprintf(ofp, "Support for the internal branches of the unrooted quartet puzzling\n"); fprintf(ofp, "tree topology is shown in percent.\n"); if (consincluded == Maxspc - 3) fprintf(ofp,"\nThis quartet puzzling tree is completely resolved.\n"); else fprintf(ofp,"\nThis quartet puzzling tree is not completely resolved!\n"); fprintf(ofp, "\n\n"); plotconsensustree(ofp); fprintf(ofp, "\n\nQuartet puzzling tree (in CLUSTAL W notation):\n\n"); writeconsensustree(ofp); fprintf(ofp, "\n\nBIPARTITIONS\n\n"); fprintf(ofp, "The following bipartitions occured at least once"); fprintf(ofp, " in all intermediate\ntrees that have been generated "); fprintf(ofp, "in the %lu puzzling steps:\n\n", Numtrial); fprintf(ofp, "Bipartitions included in the quartet puzzling tree:\n"); fprintf(ofp, "(bipartition with sequences in input order : number of times seen)\n\n"); for (li = 0; li < consincluded; li++) { fprintf(ofp, " "); printsplit(ofp, splitfreqs[2*li+1]); fprintf(ofp, " : %lu\n", splitfreqs[2*li]); } if (consincluded == 0) fprintf(ofp, " None (no bipartition included)\n"); fprintf(ofp, "\nBipartitions not included in the quartet puzzling tree:\n"); fprintf(ofp, "(bipartition with sequences in input order : number of times seen)\n\n"); if (consincluded == numbiparts) { fprintf(ofp, " None (all bipartitions are included)\n"); } else { /* print first 20 bipartions not included */ for (li = consincluded; (li < numbiparts) && (li < consincluded + 20UL); li++) { fprintf(ofp, " "); printsplit(ofp, splitfreqs[2*li+1]); fprintf(ofp, " : %lu\n", splitfreqs[2*li]); } if ((li == consincluded + 20UL) && (li != numbiparts)) fprintf(ofp, "\n(%lu other less frequent bipartitions not shown)\n", numbiparts - consincluded - 20UL); } fprintfsortedpstrees(ofp, psteptreelist, psteptreenum, psteptreesum, 0, 5.0); } if (puzzlemode == QUARTPUZ) { fprintf(ofp, "\n\nMAXIMUM LIKELIHOOD BRANCH LENGTHS ON QUARTET"); fprintf(ofp, " PUZZLING TREE (NO CLOCK)\n\nBranch lengths are computed using"); fprintf(ofp, " the selected model of\nsubstitution and rate heterogeneity.\n\n\n"); clockmode = 0; /* nonclocklike branch lengths */ prtopology(ofp); fprintf(ofp, "\n"); resulttree(ofp); fprintf(ofp, "\n\nQuartet puzzling tree with maximum likelihood branch lengths"); fprintf(ofp, "\n(in CLUSTAL W notation):\n\n"); fputphylogeny(ofp); if (compclock) { fprintf(ofp, "\n\nMAXIMUM LIKELIHOOD BRANCH LENGTHS OF QUARTET"); fprintf(ofp, " PUZZLING TREE (WITH CLOCK)\n\nBranch lengths are computed using"); fprintf(ofp, " the selected model of\nsubstitution and rate heterogeneity.\n"); fprintf(ofp, "\nRoot located at branch: %d ", locroot+1); if (rootsearch == 0) fprintf(ofp, "(user specified)\n\n\n"); if (rootsearch == 1) { fprintf(ofp, "(automatic search)"); if (numbestroot > 1) fprintf(ofp, "- WARNING: %d best locations found! -", numbestroot); fprintf(ofp, "\n\n"); fprintf(ofp, "If the automatic search misplaces the root please rerun the analysis\n"); fprintf(ofp, "(rename \"outtree\" to \"intree\") and select location of root manually!"); fprintf(ofp, "\n\n\n"); } if (rootsearch == 2) fprintf(ofp, "(displayed outgroup)\n\n\n"); clockmode = 1; /* clocklike branch lengths */ prtopology(ofp); fprintf(ofp, "\n"); fprintf(ofp, "\nTree drawn as unrooted tree for better "); fprintf(ofp, "comparison with non-clock tree!\n"); resulttree(ofp); fprintf(ofp, "\n"); resultheights(ofp); fprintf(ofp, "\n\nRooted quartet puzzling tree with clocklike"); fprintf(ofp, " maximum likelihood branch lengths\n"); fprintf(ofp, "(in CLUSTAL W notation):\n\n"); fputrooted(ofp, locroot); } if (compclock) { fprintf(ofp, "\n\nMOLECULAR CLOCK LIKELIHOOD RATIO TEST\n\n"); fprintf(ofp, "log L without clock: %.2f (independent branch parameters: %d)\n", Ctree->lklhd, Numspc + Numibrnch); fprintf(ofp, "log L with clock: %.2f (independent branch parameters: %d)\n\n", Ctree->lklhdc, Numhts + 1); delta = 2.0*((Ctree->lklhd) - (Ctree->lklhdc)); fprintf(ofp, "Likelihood ratio test statistic delta: %.2f\n", delta); df = Numspc + Numibrnch - Numhts - 1; fprintf(ofp, "Degress of freedom of chi-square distribution: %d\n", df); pval = IncompleteGammaQ(df*0.5, delta*0.5); fprintf(ofp, "Critical significance level: %.2f%%\n\n", pval*100.0); if (pval >= 0.05) { fprintf(ofp, "The simpler (clocklike) tree can not be rejected on a significance\n"); fprintf(ofp, "level of 5%%. The log-likelihood of the more complex (no clock) tree\n"); fprintf(ofp, "is not significantly increased.\n"); } else { fprintf(ofp, "The simpler (clocklike) tree is rejected on a significance level\n"); fprintf(ofp, "of 5%%. The log-likelihood of the more complex (no clock) tree is\n"); fprintf(ofp, "significantly increased.\n"); } fprintf(ofp, "\nPlease take care that the correct root is used!\n"); } } } if (typ_optn == LIKMAPING_OPTN) { fprintf(ofp, "\n\nLIKELIHOOD MAPPING ANALYSIS\n\n"); fprintf(ofp, "Number of quartets: %lu", Numquartets); if (lmqts == 0) fprintf(ofp, " (all possible)\n"); else fprintf(ofp, " (random choice)\n"); fprintf(ofp, "\nQuartet trees are based on approximate maximum likelihood values\n"); fprintf(ofp, "using the selected model of substitution and rate heterogeneity.\n\n\n"); if (numclust == 1) { fprintf(ofp, "Sequences are not grouped in clusters.\n"); } else { fprintf(ofp, "Sequences are grouped in %d clusters.\n", numclust); fprintf(ofp, "\nCluster a: %d sequences\n\n", clustA); for (i = 0; i < clustA; i++) { fprintf(ofp, " "); fputid(ofp, clusterA[i]); fprintf(ofp, "\n"); } fprintf(ofp, "\nCluster b: %d sequences\n\n", clustB); for (i = 0; i < clustB; i++) { fprintf(ofp, " "); fputid(ofp, clusterB[i]); fprintf(ofp, "\n"); } if (numclust > 2) { fprintf(ofp, "\nCluster c: %d sequences\n\n", clustC); for (i = 0; i < clustC; i++) { fprintf(ofp, " "); fputid(ofp, clusterC[i]); fprintf(ofp, "\n"); } } if (numclust == 4) { fprintf(ofp, "\nCluster d: %d sequences\n\n", clustD); for (i = 0; i < clustD; i++) { fprintf(ofp, " "); fputid(ofp, clusterD[i]); fprintf(ofp, "\n"); } } fprintf(ofp, "\nQuartets of sequences used in the likelihood"); fprintf(ofp, " mapping analysis are generated\n"); if (numclust == 2) fprintf(ofp, "by drawing two sequences from cluster a and two from cluster b."); if (numclust == 3) fprintf(ofp, "by drawing one sequence from clusters a and b and two from cluster c."); if (numclust == 4) fprintf(ofp, "by drawing one sequence from each of the clusters a, b, c, and d."); } fprintf(ofp, "\n\nLIKELIHOOD MAPPING STATISTICS\n\n"); fprintf(ofp, "Occupancies of the three areas 1, 2, 3:\n\n"); if (numclust == 4) fprintf(ofp, " (a,b)-(c,d)\n"); if (numclust == 3) fprintf(ofp, " (a,b)-(c,c)\n"); if (numclust == 2) fprintf(ofp, " (a,a)-(b,b)\n"); fprintf(ofp, " /\\\n"); fprintf(ofp, " / \\\n"); fprintf(ofp, " / \\\n"); fprintf(ofp, " / 1 \\\n"); fprintf(ofp, " / \\ / \\\n"); fprintf(ofp, " / \\ / \\\n"); fprintf(ofp, " / \\/ \\\n"); fprintf(ofp, " / 3 : 2 \\\n"); fprintf(ofp, " / : \\\n"); fprintf(ofp, " /__________________\\\n"); if (numclust == 4) fprintf(ofp, " (a,d)-(b,c) (a,c)-(b,d)\n"); if (numclust == 3) fprintf(ofp, " (a,c)-(b,c) (a,c)-(b,c)\n"); if (numclust == 2) fprintf(ofp, " (a,b)-(a,b) (a,b)-(a,b)\n"); fprintf(ofp, "\n"); fprintf(ofp, "Number of quartets in region 1: %lu (= %.1f%%)\n", ar1, (double) ar1*100.0/Numquartets); fprintf(ofp, "Number of quartets in region 2: %lu (= %.1f%%)\n", ar2, (double) ar2*100.0/Numquartets); fprintf(ofp, "Number of quartets in region 3: %lu (= %.1f%%)\n\n", ar3, (double) ar3*100.0/Numquartets); fprintf(ofp, "Occupancies of the seven areas 1, 2, 3, 4, 5, 6, 7:\n\n"); if (numclust == 4) fprintf(ofp, " (a,b)-(c,d)\n"); if (numclust == 3) fprintf(ofp, " (a,b)-(c,c)\n"); if (numclust == 2) fprintf(ofp, " (a,a)-(b,b)\n"); fprintf(ofp, " /\\\n"); fprintf(ofp, " / \\\n"); fprintf(ofp, " / 1 \\\n"); fprintf(ofp, " / \\ / \\\n"); fprintf(ofp, " / /\\ \\\n"); fprintf(ofp, " / 6 / \\ 4 \\\n"); fprintf(ofp, " / / 7 \\ \\\n"); fprintf(ofp, " / \\ /______\\ / \\\n"); fprintf(ofp, " / 3 : 5 : 2 \\\n"); fprintf(ofp, " /__________________\\\n"); if (numclust == 4) fprintf(ofp, " (a,d)-(b,c) (a,c)-(b,d)\n"); if (numclust == 3) fprintf(ofp, " (a,c)-(b,c) (a,c)-(b,c)\n"); if (numclust == 2) fprintf(ofp, " (a,b)-(a,b) (a,b)-(a,b)\n"); fprintf(ofp, "\n"); fprintf(ofp, "Number of quartets in region 1: %lu (= %.1f%%) left: %lu right: %lu\n", reg1, (double) reg1*100.0/Numquartets, reg1l, reg1r); fprintf(ofp, "Number of quartets in region 2: %lu (= %.1f%%) bottom: %lu top: %lu\n", reg2, (double) reg2*100.0/Numquartets, reg2d, reg2u); fprintf(ofp, "Number of quartets in region 3: %lu (= %.1f%%) bottom: %lu top: %lu\n", reg3, (double) reg3*100.0/Numquartets, reg3d, reg3u); fprintf(ofp, "Number of quartets in region 4: %lu (= %.1f%%) bottom: %lu top: %lu\n", reg4, (double) reg4*100.0/Numquartets, reg4d, reg4u); fprintf(ofp, "Number of quartets in region 5: %lu (= %.1f%%) left: %lu right: %lu\n", reg5, (double) reg5*100.0/Numquartets, reg5l, reg5r); fprintf(ofp, "Number of quartets in region 6: %lu (= %.1f%%) bottom: %lu top: %lu\n", reg6, (double) reg6*100.0/Numquartets, reg6d, reg6u); fprintf(ofp, "Number of quartets in region 7: %lu (= %.1f%%)\n", reg7, (double) reg7*100.0/Numquartets); } } /* if WRITEREST) || WRITEALL */ } #if PARALLEL void writetimesstat(FILE *ofp) { int n; double cpusum = 0.0; double wallmax = 0.0; cputimes[0] = ((double)(cputimestop - cputimestart) / CLOCKS_PER_SEC); walltimes[0] = difftime(walltimestop, walltimestart); fullcpu = tarr.fullcpu; fulltime = tarr.fulltime; fullcputimes[0] = tarr.fullcpu; fullwalltimes[0] = tarr.fulltime; altcputimes[0] = tarr.cpu; altwalltimes[0] = tarr.time; fprintf(ofp, "\n\n\nPARALLEL LOAD STATISTICS\n\n"); fprintf(ofp, "The analysis was performed with %d parallel processes (1 master and \n", PP_NumProcs); fprintf(ofp, "%d worker processes).\n\n", PP_NumProcs-1); fprintf(ofp, "The following table the distribution of computation to the processes.\n"); fprintf(ofp, "The first column gives the process number, where 0 is the master process.\n"); fprintf(ofp, "The second and third column show the number of quartets computed (3 topologies \n"); fprintf(ofp, "each) and the the number of scheduling blocks the came in. The last two columns \n"); fprintf(ofp, "state the number of puzzling steps done by a process and number of scheduling \n"); fprintf(ofp, "blocks.\n\n"); fprintf(ofp, "process #quartets #chunks #puzzlings #chunks \n"); fprintf(ofp, "-----------------------------------------------\n"); for (n=0; n wallmax) wallmax=fullwalltimes[n]; cpusum += fullcputimes[n]; } /* for */ fprintf(ofp, "----------------------------------------------------------------------------\n"); fprintf(ofp, "Sum/Max: %11.1f %9.1f %9.1f | %11.1f %9.1f %9.1f \n", cpusum, cpusum/60, cpusum/3600, wallmax, wallmax/60, wallmax/3600); #else /* TIMEDEBUG */ fprintf(ofp, "\n\nBelow the distribution of computing times (wallclock) per host is shown.\n"); fprintf(ofp, "The times are shown in seconds, minutes, and hours. At the bottom of the table the\n"); fprintf(ofp, "the maximum wallclock times is shown.\n\n"); fprintf(ofp, "process wallclock[s] [min] [hours] \n"); fprintf(ofp, "----------------------------------------------------------------------------\n"); for (n=0; n wallmax) wallmax=fullwalltimes[n]; cpusum += fullcputimes[n]; } /* for */ fprintf(ofp, "----------------------------------------------------------------------------\n"); fprintf(ofp, "Sum/Max: %11.1f %9.1f %9.1f \n", wallmax, wallmax/60, wallmax/3600); #endif /* TIMEDEBUG */ fullcpu = cpusum; fulltime = wallmax; } /* writetimesstat */ #endif /* write current user tree to file */ void writecutree(FILE *ofp, int num) { int df; double pval, delta; if (typ_optn == TREERECON_OPTN) { if (puzzlemode == USERTREE) { fprintf(ofp, "\n\nMAXIMUM LIKELIHOOD BRANCH LENGTHS OF USER"); fprintf(ofp, " DEFINED TREE # %d (NO CLOCK)\n\nBranch lengths are computed using", num); fprintf(ofp, " the selected model of\nsubstitution and rate heterogeneity.\n\n\n"); clockmode = 0; /* nonclocklike branch lengths */ prtopology(ofp); fprintf(ofp, "\n"); resulttree(ofp); fprintf(ofp, "\n\nUnrooted user defined tree with maximum likelihood branch lengths"); fprintf(ofp, "\n(in CLUSTAL W notation):\n\n"); fputphylogeny(ofp); if (compclock) { fprintf(ofp, "\n\nMAXIMUM LIKELIHOOD BRANCH LENGTHS OF USER"); fprintf(ofp, " DEFINED TREE # %d (WITH CLOCK)\n\nBranch lengths are computed using", num); fprintf(ofp, " the selected model of\nsubstitution and rate heterogeneity.\n"); fprintf(ofp, "\nRoot located at branch: %d ", locroot+1); if (rootsearch == 0) fprintf(ofp, "(user specified)\n\n\n"); if (rootsearch == 1) { fprintf(ofp, "(automatic search)"); if (numbestroot > 1) fprintf(ofp, "- WARNING: %d best locations found! -", numbestroot); fprintf(ofp, "\n\n"); fprintf(ofp, "If the automatic search misplaces the root please rerun the analysis\n"); fprintf(ofp, "and select location of root manually!"); fprintf(ofp, "\n\n\n"); } if (rootsearch == 2) fprintf(ofp, "(displayed outgroup)\n\n\n"); clockmode = 1; /* clocklike branch lengths */ prtopology(ofp); fprintf(ofp, "\n"); resulttree(ofp); fprintf(ofp, "\n"); resultheights(ofp); fprintf(ofp, "\n\nRooted user defined tree with clocklike "); fprintf(ofp, "maximum likelihood branch lengths\n"); fprintf(ofp, "(in CLUSTAL W notation):\n\n"); fputrooted(ofp, locroot); } if (compclock) { fprintf(ofp, "\n\nMOLECULAR CLOCK LIKELIHOOD RATIO TEST FOR USER TREE # %d\n\n", num); fprintf(ofp, "log L without clock: %.2f (independent branch parameters: %d)\n", Ctree->lklhd, Numspc + Numibrnch); fprintf(ofp, "log L with clock: %.2f (independent branch parameters: %d)\n\n", Ctree->lklhdc, Numhts + 1); delta = 2.0*((Ctree->lklhd) - (Ctree->lklhdc)); fprintf(ofp, "Likelihood ratio test statistic delta: %.2f\n", delta); df = Numspc + Numibrnch - Numhts - 1; fprintf(ofp, "Degrees of freedom of chi-square distribution: %d\n", df); pval = IncompleteGammaQ (df*0.5, delta*0.5); fprintf(ofp, "Critical significance level: %.2f%%\n\n", pval*100.0); if (pval >= 0.05) { fprintf(ofp, "The simpler (clocklike) tree can not be rejected on a significance\n"); fprintf(ofp, "level of 5%%. The log-likelihood of the more complex (no clock) tree\n"); fprintf(ofp, "is not significantly increased.\n"); } else { fprintf(ofp, "The simpler (clocklike) tree is rejected on a significance level\n"); fprintf(ofp, "of 5%%. The log-likelihood of the more complex (no clock) tree is\n"); fprintf(ofp, "significantly increased.\n"); } fprintf(ofp, "\nPlease take care that the correct root is used!\n"); } } } } /******************************************************************************/ /* timer routines */ /******************************************************************************/ /* start timer */ void starttimer() { time(&time0); time1 = time0; } /* check remaining time and print message if necessary */ void checktimer(uli numqts) { double tc2, mintogo, minutes, hours; time(&time2); if ( (time2 - time1) > 900) { /* generate message every 15 minutes */ /* every 900 seconds */ /* percentage of completed quartets */ if (mflag == 0) { mflag = 1; FPRINTF(STDOUTFILE "\n"); } tc2 = 100.*numqts/Numquartets; mintogo = (100.0-tc2) * (double) (time2-time0)/60.0/tc2; hours = floor(mintogo/60.0); minutes = mintogo - 60.0*hours; FPRINTF(STDOUTFILE "%.2f%%", tc2); FPRINTF(STDOUTFILE " completed (remaining"); FPRINTF(STDOUTFILE " time: %.0f", hours); FPRINTF(STDOUTFILE " hours %.0f", minutes); FPRINTF(STDOUTFILE " minutes)\n"); fflush(STDOUT); time1 = time2; } } /* check remaining time and print message if necessary */ void checktimer2(uli numqts, uli all, int flag) { double tc2, mintogo, minutes, hours; static time_t tt1; static time_t tt2; if (flag == 1) { time(&tt1); time(&tt2); } else { time(&tt2); if ( (tt2 - tt1) > 900) { /* generate message every 15 minutes */ /* every 900 seconds */ /* percentage of completed quartets */ if (mflag == 0) { mflag = 1; FPRINTF(STDOUTFILE "\n"); } tc2 = 100.*numqts/Numquartets; mintogo = (100.0-tc2) * (double) (tt2-time0)/60.0/tc2; hours = floor(mintogo/60.0); minutes = mintogo - 60.0*hours; FPRINTF(STDOUTFILE "%.2f%%", tc2); FPRINTF(STDOUTFILE " completed (remaining"); FPRINTF(STDOUTFILE " time: %.0f", hours); FPRINTF(STDOUTFILE " hours %.0f", minutes); FPRINTF(STDOUTFILE " minutes)\n"); fflush(STDOUT); tt1 = tt2; } } } void resetqblocktime(timearray_t *ta) { ta->quartcpu += ta->quartblockcpu; ta->quartblockcpu = 0.0; ta->quarttime += ta->quartblocktime; ta->quartblocktime = 0.0; } /* resetqblocktime */ void resetpblocktime(timearray_t *ta) { ta->puzzcpu += ta->puzzblockcpu; ta->puzzblockcpu = 0.0; ta->puzztime += ta->puzzblocktime; ta->puzzblocktime = 0.0; } /* resetpblocktime */ #ifdef TIMEDEBUG void printtimearr(timearray_t *ta) { # if ! PARALLEL int PP_Myid; PP_Myid = -1; # endif printf("(%2d) MMCPU: %11ld / %11ld \n", PP_Myid, ta->maxcpu, ta->mincpu); printf("(%2d) CTick: %11.6f [tks] / %11.6f [s] \n", PP_Myid, ta->mincputick, ta->mincputicktime); printf("(%2d) MMTIM: %11ld / %11ld \n", PP_Myid, ta->maxtime, ta->mintime); printf("(%2d) Mxblk: %11.6e / %11.6e \n", PP_Myid, ta->maxcpublock, ta->maxtimeblock); printf("(%2d) Mnblk: %11.6e / %11.6e \n", PP_Myid, ta->mincpublock, ta->mintimeblock); printf("(%2d) Gnrl: %11.6e / %11.6e \n", PP_Myid, ta->generalcpu, ta->generaltime); printf("(%2d) Optn: %11.6e / %11.6e \n", PP_Myid, ta->optionscpu, ta->optionstime); printf("(%2d) Estm: %11.6e / %11.6e \n", PP_Myid, ta->paramestcpu, ta->paramesttime); printf("(%2d) Qurt: %11.6e / %11.6e \n", PP_Myid, ta->quartcpu, ta->quarttime); printf("(%2d) QBlk: %11.6e / %11.6e \n", PP_Myid, ta->quartblockcpu, ta->quartblocktime); printf("(%2d) QMax: %11.6e / %11.6e \n", PP_Myid, ta->quartmaxcpu, ta->quartmaxtime); printf("(%2d) QMin: %11.6e / %11.6e \n", PP_Myid, ta->quartmincpu, ta->quartmintime); printf("(%2d) Puzz: %11.6e / %11.6e \n", PP_Myid, ta->puzzcpu, ta->puzztime); printf("(%2d) PBlk: %11.6e / %11.6e \n", PP_Myid, ta->puzzblockcpu, ta->puzzblocktime); printf("(%2d) PMax: %11.6e / %11.6e \n", PP_Myid, ta->puzzmaxcpu, ta->puzzmaxtime); printf("(%2d) PMin: %11.6e / %11.6e \n", PP_Myid, ta->puzzmincpu, ta->puzzmintime); printf("(%2d) Tree: %11.6e / %11.6e \n", PP_Myid, ta->treecpu, ta->treetime); printf("(%2d) TBlk: %11.6e / %11.6e \n", PP_Myid, ta->treeblockcpu, ta->treeblocktime); printf("(%2d) TMax: %11.6e / %11.6e \n", PP_Myid, ta->treemaxcpu, ta->treemaxtime); printf("(%2d) TMin: %11.6e / %11.6e \n", PP_Myid, ta->treemincpu, ta->treemintime); printf("(%2d) C/T : %11.6e / %11.6e \n", PP_Myid, (ta->generalcpu + ta->optionscpu + ta->paramestcpu + ta->quartblockcpu + ta->puzzblockcpu + ta->treeblockcpu), (ta->generaltime + ta->optionstime + ta->paramesttime + ta->quartblocktime + ta->puzzblocktime + ta->treeblocktime)); printf("(%2d) CPU: %11.6e / Time: %11.6e \n", PP_Myid, ta->cpu, ta->time); printf("(%2d) aCPU: %11.6e / aTime: %11.6e \n", PP_Myid, ta->fullcpu, ta->fulltime); } /* printtimearr */ #endif /* TIMEDEBUG */ char *jtype [7]; void inittimearr(timearray_t *ta) { clock_t c0, c1, c2; jtype[OVERALL] = "OVERALL"; jtype[GENERAL] = "GENERAL"; jtype[OPTIONS] = "OPTIONS"; jtype[PARAMEST] = "PARAMeter ESTimation"; jtype[QUARTETS] = "QUARTETS"; jtype[PUZZLING] = "PUZZLING steps"; jtype[TREEEVAL] = "TREE EVALuation"; ta->currentjob = GENERAL; c1 = clock(); c2 = clock(); while (c1 == c2) c2 = clock(); ta->mincputick = (double)(c2 - c1); ta->mincputicktime = ((double)(c2 - c1))/CLOCKS_PER_SEC; ta->tempcpu = clock(); ta->tempcpustart = ta->tempcpu; ta->tempfullcpu = ta->tempcpu; time(&(ta->temptime)); ta->temptimestart = ta->temptime; ta->tempfulltime = ta->temptime; c0=0; c1=0; c2=(clock_t)((2 * c1) + 1);; while (c1 < c2) { c0 = c1; c1 = c2; c2 = (clock_t)((2 * c1) + 1); } if (c1 == c2) ta->maxcpu=c0; if (c1 > c2) ta->maxcpu=c1; c0=0; c1=0; c2=(clock_t)((2 * c1) - 1); while (c1 > c2) { c0 = c1; c1 = c2; c2 = (clock_t)((2 * c1) - 1); } if (c1 == c2) ta->mincpu=c0; if (c1 < c2) ta->mincpu=c1; ta->maxtime = 0; ta->mintime = 0; ta->maxcpublock = 0; ta->mincpublock = DBL_MAX; ta->maxtimeblock = 0; ta->mintimeblock = DBL_MAX; ta->cpu = 0.0; ta->time = 0.0; ta->fullcpu = 0.0; ta->fulltime = 0.0; ta->generalcpu = 0.0; ta->optionscpu = 0.0; ta->paramestcpu = 0.0; ta->quartcpu = 0.0; ta->quartblockcpu = 0.0; ta->quartmaxcpu = 0.0; ta->quartmincpu = ((double) ta->maxcpu)/CLOCKS_PER_SEC; ta->puzzcpu = 0.0; ta->puzzblockcpu = 0.0; ta->puzzmaxcpu = 0.0; ta->puzzmincpu = ((double) ta->maxcpu)/CLOCKS_PER_SEC; ta->treecpu = 0.0; ta->treeblockcpu = 0.0; ta->treemaxcpu = 0.0; ta->treemincpu = ((double) ta->maxcpu)/CLOCKS_PER_SEC; ta->generaltime = 0.0; ta->optionstime = 0.0; ta->paramesttime = 0.0; ta->quarttime = 0.0; ta->quartblocktime = 0.0; ta->quartmaxtime = 0.0; ta->quartmintime = DBL_MAX; ta->puzztime = 0.0; ta->puzzblocktime = 0.0; ta->puzzmaxtime = 0.0; ta->puzzmintime = DBL_MAX; ta->treetime = 0.0; ta->treeblocktime = 0.0; ta->treemaxtime = 0.0; ta->treemintime = DBL_MAX; } /* inittimearr */ /***************/ void addup(int jobtype, clock_t c1, clock_t c2, time_t t1, time_t t2, timearray_t *ta) { double c, t; if (t2 != t1) t = difftime(t2, t1); else t = 0.0; if (c2 < c1) c = ((double)(c2 - ta->mincpu))/CLOCKS_PER_SEC + ((double)(ta->maxcpu - c1))/CLOCKS_PER_SEC; else c = ((double)(c2 - c1))/CLOCKS_PER_SEC; if (jobtype != OVERALL) { if (ta->mincpublock > c) ta->mincpublock = c; if (ta->maxcpublock < c) ta->maxcpublock = c; if (ta->mintimeblock > t) ta->mintimeblock = t; if (ta->maxtimeblock < t) ta->maxtimeblock = t; switch (jobtype) { case GENERAL: ta->generalcpu += c; ta->generaltime += t; break; case OPTIONS: ta->optionscpu += c; ta->optionstime += t; break; case PARAMEST: ta->paramestcpu += c; ta->paramesttime += t; break; case QUARTETS: ta->quartblockcpu += c; ta->quartblocktime += t; if (ta->quartmincpu > c) ta->quartmincpu = c; if (ta->quartmaxcpu < c) ta->quartmaxcpu = c; if (ta->quartmintime > t) ta->quartmintime = t; if (ta->quartmaxtime < t) ta->quartmaxtime = t; break; case PUZZLING: ta->puzzblockcpu += c; ta->puzzblocktime += t; if (ta->puzzmincpu > c) ta->puzzmincpu = c; if (ta->puzzmaxcpu < c) ta->puzzmaxcpu = c; if (ta->puzzmintime > t) ta->puzzmintime = t; if (ta->puzzmaxtime < t) ta->puzzmaxtime = t; break; case TREEEVAL: ta->treeblockcpu += c; ta->treeblocktime += t; if (ta->treemincpu > c) ta->treemincpu = c; if (ta->treemaxcpu < c) ta->treemaxcpu = c; if (ta->treemintime > t) ta->treemintime = t; if (ta->treemaxtime < t) ta->treemaxtime = t; break; } ta->cpu += c; ta->time += t; } else { ta->fullcpu += c; ta->fulltime += t; } # ifdef TIMEDEBUG { # if ! PARALLEL int PP_Myid = -1; # endif /* !PARALLEL */ printf("(%2d) CPU: +%10.6f / Time: +%10.6f (%s)\n", PP_Myid, c, t, jtype[jobtype]); printf("(%2d) CPU: %11.6f / Time: %11.6f (%s)\n", PP_Myid, ta->cpu, ta->time, jtype[jobtype]); printf("(%2d) CPU: %11.6f / Time: %11.6f (%s)\n", PP_Myid, ta->fullcpu, ta->fulltime, jtype[jobtype]); } # endif /* TIMEDEBUG */ } /* addup */ /***************/ void addtimes(int jobtype, timearray_t *ta) { clock_t tempc; time_t tempt; time(&tempt); tempc = clock(); if ((tempc < ta->tempfullcpu) || (jobtype == OVERALL)) { /* CPU counter overflow for overall time */ addup(OVERALL, ta->tempfullcpu, tempc, ta->tempfulltime, tempt, ta); ta->tempfullcpu = tempc; ta->tempfulltime = tempt; if (jobtype == OVERALL) { addup(ta->currentjob, ta->tempcpustart, tempc, ta->temptimestart, tempt, ta); ta->tempcpustart = ta->tempcpu; ta->tempcpu = tempc; ta->temptimestart = ta->temptime; ta->temptime = tempt; } } if((jobtype != ta->currentjob) && (jobtype != OVERALL)) { /* change of job type */ addup(ta->currentjob, ta->tempcpustart, ta->tempcpu, ta->temptimestart, ta->temptime, ta); ta->tempcpustart = ta->tempcpu; ta->tempcpu = tempc; ta->temptimestart = ta->temptime; ta->temptime = tempt; ta->currentjob = jobtype; } if (tempc < ta->tempcpustart) { /* CPU counter overflow */ addup(jobtype, ta->tempcpustart, tempc, ta->temptimestart, tempt, ta); ta->tempcpustart = ta->tempcpu; ta->tempcpu = tempc; ta->temptimestart = ta->temptime; ta->temptime = tempt; } } /* addtimes */ /******************************************************************************/ /* estimate parameters of substitution process and rate heterogeneity - no tree n-taxon tree is not needed because of quartet method or NJ tree topology */ void estimateparametersnotree() { int it, nump, change; double TSold, YRold, FIold, GEold; it = 0; nump = 0; /* count number of parameters */ if (data_optn == NUCLEOTIDE && optim_optn) nump++; if (fracinv_optim || grate_optim) nump++; do { /* repeat until nothing changes any more */ it++; change = FALSE; /* optimize substitution parameters */ if (data_optn == NUCLEOTIDE && optim_optn) { TSold = TSparam; YRold = YRparam; /* * optimize */ FPRINTF(STDOUTFILE "Optimizing missing substitution process parameters\n"); fflush(STDOUT); if (qcalg_optn) { /* quartet sampling */ optimseqevolparamsq(); } else { /* NJ tree */ tmpfp = tmpfile(); njtree(tmpfp); rewind(tmpfp); readusertree(tmpfp); closefile(tmpfp); optimseqevolparamst(); } computedistan(); /* update ML distances */ /* same tolerance as 1D minimization */ if ((fabs(TSparam - TSold) > 3.3*PEPS1) || (fabs(YRparam - YRold) > 3.3*PEPS1) ) change = TRUE; } /* optimize rate heterogeneity variables */ if (fracinv_optim || grate_optim) { FIold = fracinv; GEold = Geta; /* * optimize */ FPRINTF(STDOUTFILE "Optimizing missing rate heterogeneity parameters\n"); fflush(STDOUT); /* compute NJ tree */ tmpfp = tmpfile(); njtree(tmpfp); /* use NJ tree topology to estimate parameters */ rewind(tmpfp); readusertree(tmpfp); closefile(tmpfp); optimrateparams(); computedistan(); /* update ML distances */ /* same tolerance as 1D minimization */ if ((fabs(fracinv - FIold) > 3.3*PEPS2) || (fabs(Geta - GEold) > 3.3*PEPS2) ) change = TRUE; } if (nump == 1) return; } while (it != MAXITS && change); return; } /* estimate parameters of substitution process and rate heterogeneity - tree same as above but here the n-taxon tree is already in memory */ void estimateparameterstree() { int it, nump, change; double TSold, YRold, FIold, GEold; it = 0; nump = 0; /* count number of parameters */ if (data_optn == NUCLEOTIDE && optim_optn) nump++; if (fracinv_optim || grate_optim) nump++; do { /* repeat until nothing changes any more */ it++; change = FALSE; /* optimize substitution process parameters */ if (data_optn == NUCLEOTIDE && optim_optn) { TSold = TSparam; YRold = YRparam; /* * optimize */ FPRINTF(STDOUTFILE "Optimizing missing substitution process parameters\n"); fflush(STDOUT); optimseqevolparamst(); computedistan(); /* update ML distances */ /* same tolerance as 1D minimization */ if ((fabs(TSparam - TSold) > 3.3*PEPS1) || (fabs(YRparam - YRold) > 3.3*PEPS1) ) change = TRUE; } /* optimize rate heterogeneity variables */ if (fracinv_optim || grate_optim) { FIold = fracinv; GEold = Geta; /* * optimize */ FPRINTF(STDOUTFILE "Optimizing missing rate heterogeneity parameters\n"); fflush(STDOUT); optimrateparams(); computedistan(); /* update ML distances */ /* same tolerance as 1D minimization */ if ((fabs(fracinv - FIold) > 3.3*PEPS2) || (fabs(Geta - GEold) > 3.3*PEPS2) ) change = TRUE; } if (nump == 1) return; } while (it != MAXITS && change); return; } /******************************************************************************/ /* exported from main */ /******************************************************************************/ void compute_quartlklhds(int a, int b, int c, int d, double *d1, double *d2, double *d3, int approx) { if (approx == APPROX) { *d1 = quartet_alklhd(a,b, c,d); /* (a,b)-(c,d) */ *d2 = quartet_alklhd(a,c, b,d); /* (a,c)-(b,d) */ *d3 = quartet_alklhd(a,d, b,c); /* (a,d)-(b,c) */ } else /* approx == EXACT */ { *d1 = quartet_lklhd(a,b, c,d); /* (a,b)-(c,d) */ *d2 = quartet_lklhd(a,c, b,d); /* (a,c)-(b,d) */ *d3 = quartet_lklhd(a,d, b,c); /* (a,d)-(b,c) */ } } /***************************************************************/ void recon_tree() { int i; # if ! PARALLEL int a, b, c; uli nq; double tc2, mintogo, minutes, hours; # endif /* allocate memory for taxon list of bad quartets */ badtaxon = new_ulivector(Maxspc); for (i = 0; i < Maxspc; i++) badtaxon[i] = 0; /* allocate variable used for randomizing input order */ trueID = new_ivector(Maxspc); /* allocate memory for quartets */ quartetinfo = mallocquartets(Maxspc); /* prepare for consensus tree analysis */ initconsensus(); if (!(readquart_optn) || (readquart_optn && savequart_optn)) { /* compute quartets */ FPRINTF(STDOUTFILE "Computing quartet maximum likelihood trees\n"); fflush(STDOUT); computeallquartets(); } if (savequart_optn) writeallquarts(Maxspc, ALLQUART, quartetinfo); if (readquart_optn) { int xx1, xx2, xx3, xx4, count; readallquarts (Maxspc, ALLQUART, quartetinfo); if (show_optn) { /* list all unresolved quartets */ openfiletowrite(&unresfp, UNRESOLVED, "unresolved quartet trees"); fprintf(unresfp, "List of all completely unresolved quartets:\n\n"); } /* initialize bad quartet memory */ for (count = 0; count < Maxspc; count++) badtaxon[count] = 0; badqs = 0; for (xx4 = 3; xx4 < Maxspc; xx4++) for (xx3 = 2; xx3 < xx4; xx3++) for (xx2 = 1; xx2 < xx3; xx2++) for (xx1 = 0; xx1 < xx2; xx1++) { if (readquartet(xx1, xx2, xx3, xx4) == 7) { badqs++; badtaxon[xx1]++; badtaxon[xx2]++; badtaxon[xx3]++; badtaxon[xx4]++; if (show_optn) { fputid10(unresfp, xx1); fprintf(unresfp, " "); fputid10(unresfp, xx2); fprintf(unresfp, " "); fputid10(unresfp, xx3); fprintf(unresfp, " "); fputid (unresfp, xx4); fprintf(unresfp, "\n"); } } } /* end for xx4; for xx3; for xx2; for xx1 */ if (show_optn) /* list all unresolved quartets */ fclose(unresfp); } /* readquart_optn */ # if PARALLEL PP_SendAllQuarts(numquarts(Maxspc), quartetinfo); # endif /* PARALLEL */ FPRINTF(STDOUTFILE "Computing quartet puzzling tree\n"); fflush(STDOUT); /* start timer - percentage of completed trees */ time(&time0); time1 = time0; mflag = 0; /* open file for chronological list of puzzling step trees */ if((listqptrees == PSTOUT_LIST) || (listqptrees == PSTOUT_LISTORDER)) openfiletowrite(&qptlist, OUTPTLIST, "puzzling step trees (chonological)"); # if PARALLEL { PP_SendDoPermutBlock(Numtrial); } # else addtimes(GENERAL, &tarr); for (Currtrial = 0; Currtrial < Numtrial; Currtrial++) { /* randomize input order */ chooser(Maxspc, Maxspc, trueID); /* initialize tree */ inittree(); /* adding all other leafs */ for (i = 3; i < Maxspc; i++) { /* clear all edgeinfos */ resetedgeinfo(); /* clear counter of quartets */ nq = 0; /* * core of quartet puzzling algorithm */ for (a = 0; a < nextleaf - 2; a++) for (b = a + 1; b < nextleaf - 1; b++) for (c = b + 1; c < nextleaf; c++) { /* check which two _leaves_ out of a, b, c are closer related to each other than to leaf i according to a least squares fit of the continuous Baysian weights to the seven trivial "attractive regions". We assign a score of 1 to all edges between these two leaves chooseA and chooseB */ checkquartet(a, b, c, i); incrementedgeinfo(chooseA, chooseB); nq++; /* generate message every 15 minutes */ /* check timer */ time(&time2); if ( (time2 - time1) > 900) { /* every 900 seconds */ /* percentage of completed trees */ if (mflag == 0) { FPRINTF(STDOUTFILE "\n"); mflag = 1; } tc2 = 100.0*Currtrial/Numtrial + 100.0*nq/Numquartets/Numtrial; mintogo = (100.0-tc2) * (double) (time2-time0)/60.0/tc2; hours = floor(mintogo/60.0); minutes = mintogo - 60.0*hours; FPRINTF(STDOUTFILE "%2.2f%%", tc2); FPRINTF(STDOUTFILE " completed (remaining"); FPRINTF(STDOUTFILE " time: %.0f", hours); FPRINTF(STDOUTFILE " hours %.0f", minutes); FPRINTF(STDOUTFILE " minutes)\n"); fflush(STDOUT); time1 = time2; } } /* find out which edge has the lowest edgeinfo */ minimumedgeinfo(); /* add the next leaf on minedge */ addnextleaf(minedge); } /* compute bipartitions of current tree */ computebiparts(); makenewsplitentries(); { int *ctree, startnode; char *trstr; treelistitemtype *treeitem; ctree = initctree(); copytree(ctree); startnode = sortctree(ctree); trstr=sprintfctree(ctree, psteptreestrlen); treeitem = addtree2list(&trstr, 1, &psteptreelist, &psteptreenum, &psteptreesum); if((listqptrees == PSTOUT_LIST) || (listqptrees == PSTOUT_LISTORDER)) { /* print: order no/# topol per this id/tree id/sum of unique topologies/sum of trees so far */ fprintf(qptlist, "%ld.\t1\t%d\t%d\t%d\t%d\n", Currtrial + 1, (*treeitem).count, (*treeitem).id, psteptreenum, psteptreesum); } # ifdef VERBOSE1 printf("%s\n", trstr); printfsortedpstrees(psteptreelist); # endif freectree(&ctree); } /* free tree before building the next tree */ freetree(); addtimes(PUZZLING, &tarr); } # endif /* PARALLEL */ /* close file for list of puzzling step trees */ if((listqptrees == PSTOUT_LIST) || (listqptrees == PSTOUT_LISTORDER)) closefile(qptlist); if (mflag == 1) FPRINTF(STDOUTFILE "\n"); /* garbage collection */ free(splitcomp); free_ivector(trueID); # if ! PARALLEL free_cmatrix(biparts); # endif /* PARALLEL */ freequartets(); /* compute majority rule consensus tree */ makeconsensus(); /* write consensus tree to tmp file */ tmpfp = tmpfile(); writeconsensustree(tmpfp); } /* recon_tree */ /***************************************************************/ void map_lklhd() { int i, a, a1, a2, b, b1, b2, c, c1, c2, d; uli nq; double logs[3], d1, d2, d3, temp; ivector qts, mlorder, gettwo; /* reset variables */ ar1 = ar2 = ar3 = 0; reg1 = reg2 = reg3 = reg4 = reg5 = reg6 = reg7 = 0; reg1l = reg1r = reg2u = reg2d = reg3u = reg3d = reg4u = reg4d = reg5l = reg5r = reg6u = reg6d = 0; /* place for random quartet */ qts = new_ivector(4); /* initialize output file */ openfiletowrite(&trifp, TRIANGLE, "Postscript output"); initps(trifp); FPRINTF(STDOUTFILE "Performing likelihood mapping analysis\n"); fflush(STDOUT); /* start timer */ starttimer(); nq = 0; mflag = 0; addtimes(GENERAL, &tarr); if (lmqts == 0) { /* all possible quartets */ if (numclust == 4) { /* four-cluster analysis */ for (a = 0; a < clustA; a++) for (b = 0; b < clustB; b++) for (c = 0; c < clustC; c++) for (d = 0; d < clustD; d++) { nq++; /* check timer */ checktimer(nq); /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(clusterA[a],clusterB[b],clusterC[c],clusterD[d],&d1,&d2,&d3, APPROX); /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } } if (numclust == 3) { /* three-cluster analysis */ gettwo = new_ivector(2); for (a = 0; a < clustA; a++) for (b = 0; b < clustB; b++) for (c1 = 0; c1 < clustC-1; c1++) for (c2 = c1+1; c2 < clustC; c2++) { nq++; /* check timer */ checktimer(nq); /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(clusterA[a],clusterB[b],clusterC[c1],clusterC[c2],&d1,&d2,&d3, APPROX); /* randomize order of d2 and d3 */ if (randominteger(2) == 1) { temp = d3; d3 = d2; d2 = temp; } /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } free_ivector(gettwo); } if (numclust == 2) { /* two-cluster analysis */ gettwo = new_ivector(2); for (a1 = 0; a1 < clustA-1; a1++) for (a2 = a1+1; a2 < clustA; a2++) for (b1 = 0; b1 < clustB-1; b1++) for (b2 = b1+1; b2 < clustB; b2++) { nq++; /* check timer */ checktimer(nq); /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(clusterA[a1],clusterA[a2],clusterB[b1],clusterB[b2],&d1,&d2,&d3, APPROX); /* randomize order of d2 and d3 */ if (randominteger(2) == 1) { temp = d3; d3 = d2; d2 = temp; } /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } free_ivector(gettwo); } if (numclust == 1) { /* normal likelihood mapping (one cluster) */ mlorder = new_ivector(3); #if 0 for (i = 3; i < Maxspc; i++) for (a = 0; a < i - 2; a++) for (b = a + 1; b < i - 1; b++) for (c = b + 1; c < i; c++) for (d = 3; d < Maxspc; d++) for (c = 2; c < d; c++) for (b = 1; b < c; b++) for (a = 0; a < b; a++) #endif for (i = 3; i < Maxspc; i++) for (c = 2; c < i; c++) for (b = 1; b < c; b++) for (a = 0; a < b; a++) { nq++; /* check timer */ checktimer(nq); /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(a,b,c,i,&logs[0],&logs[1],&logs[2], APPROX); /* randomize order */ chooser(3,3,mlorder); d1 = logs[mlorder[0]]; d2 = logs[mlorder[1]]; d3 = logs[mlorder[2]]; /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } free_ivector(mlorder); } } else { /* randomly selected quartets */ if (numclust == 4) { /* four-cluster analysis */ for (lmqts = 0; lmqts < Numquartets; lmqts++) { nq++; /* check timer */ checktimer(nq); /* choose random quartet */ qts[0] = clusterA[ randominteger(clustA) ]; qts[1] = clusterB[ randominteger(clustB) ]; qts[2] = clusterC[ randominteger(clustC) ]; qts[3] = clusterD[ randominteger(clustD) ]; /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(qts[0],qts[1],qts[2],qts[3],&d1,&d2,&d3, APPROX); /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } } if (numclust == 3) { /* three-cluster analysis */ gettwo = new_ivector(2); for (lmqts = 0; lmqts < Numquartets; lmqts++) { nq++; /* check timer */ checktimer(nq); /* choose random quartet */ qts[0] = clusterA[ randominteger(clustA) ]; qts[1] = clusterB[ randominteger(clustB) ]; chooser(clustC, 2, gettwo); qts[2] = clusterC[gettwo[0]]; qts[3] = clusterC[gettwo[1]]; /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(qts[0],qts[1],qts[2],qts[3],&d1,&d2,&d3, APPROX); /* order of d2 and d3 is already randomized! */ /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } free_ivector(gettwo); } if (numclust == 2) { /* two-cluster analysis */ gettwo = new_ivector(2); for (lmqts = 0; lmqts < Numquartets; lmqts++) { nq++; /* check timer */ checktimer(nq); /* choose random quartet */ chooser(clustA, 2, gettwo); qts[0] = clusterA[gettwo[0]]; qts[1] = clusterA[gettwo[1]]; chooser(clustB, 2, gettwo); qts[2] = clusterB[gettwo[0]]; qts[3] = clusterB[gettwo[1]]; /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(qts[0],qts[1],qts[2],qts[3],&d1,&d2,&d3, APPROX); /* order of d2 and d3 is already randomized! */ /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } free_ivector(gettwo); } if (numclust == 1) { /* normal likelihood mapping (one cluster) */ for (lmqts = 0; lmqts < Numquartets; lmqts++) { nq++; /* check timer */ checktimer(nq); /* choose random quartet */ chooser(Maxspc, 4, qts); /* maximum likelihood values */ /* approximate ML is sufficient */ compute_quartlklhds(qts[0],qts[1],qts[2],qts[3],&d1,&d2,&d3, APPROX); /* order of d1, d2, and d3 is already randomized! */ /* draw point for LM analysis */ makelmpoint(trifp, d1, d2, d3); addtimes(QUARTETS, &tarr); } } } finishps(trifp); closefile(trifp); free_ivector(qts); } /* map_lklhd */ /***************************************************************/ void setdefaults() { strcpy(INFILE, INFILEDEFAULT); strcpy(OUTFILE, OUTFILEDEFAULT); strcpy(TREEFILE, TREEFILEDEFAULT); strcpy(INTREE, INTREEDEFAULT); strcpy(DISTANCES, DISTANCESDEFAULT); strcpy(TRIANGLE, TRIANGLEDEFAULT); strcpy(UNRESOLVED, UNRESOLVEDDEFAULT); strcpy(ALLQUART, ALLQUARTDEFAULT); strcpy(ALLQUARTLH, ALLQUARTLHDEFAULT); strcpy(OUTPTLIST, OUTPTLISTDEFAULT); strcpy(OUTPTORDER, OUTPTORDERDEFAULT); usebestq_optn = FALSE; savequartlh_optn = FALSE; savequart_optn = FALSE; readquart_optn = FALSE; randseed = -1; /* to set random random seed */ } /* setdefaults */ /***************************************************************/ void printversion() { # if ! PARALLEL fprintf(stderr, "puzzle (%s) %s\n", PACKAGE, VERSION); #else fprintf(stderr, "ppuzzle (%s) %s\n", PACKAGE, VERSION); # endif exit (0); } /***************************************************************/ void printusage(char *fname) { fprintf(stderr, "\n\nUsage: %s [-h] [ Infilename [ UserTreeFilename ] ]\n\n", fname); # if PARALLEL PP_SendDone(); MPI_Finalize(); # endif exit (1); } /***************************************************************/ #ifdef HHH void printusagehhh(char *fname) { fprintf(stderr, "\n\nUsage: %s [options] [ Infilename [ UserTreeFilename ] ]\n\n", fname); fprintf(stderr, " -h - print usage\n"); fprintf(stderr, " -wqf - write quartet file to Infilename.allquart\n"); fprintf(stderr, " -rqf - read quartet file from Infilename.allquart\n"); fprintf(stderr, " -wqlb - write quart lhs to Infilename.allquartlh (binary)\n"); fprintf(stderr, " -wqla - write quart lhs to Infilename.allquartlh (ASCII)\n"); fprintf(stderr, " -bestq - use best quart, no basian weights\n"); fprintf(stderr, " -randseed<#> - use <#> as random number seed, for debug purposes only\n"); # if PARALLEL PP_SendDone(); MPI_Finalize(); # endif exit (2); } #endif /* HHH */ /***************************************************************/ void scancmdline(int *argc, char **argv[]) { static short infileset = 0; static short intreefileset = 0; short flagused; int n; int count, dummyint; for (n = 1; n < *argc; n++) { # ifdef VERBOSE1 printf("argv[%d] = %s\n", n, (*argv)[n]); # endif flagused = FALSE; # ifdef HHH dummyint = 0; count = sscanf((*argv)[n], "-wqlb%n", &dummyint); if (dummyint == 5) { savequartlh_optn = TRUE; saveqlhbin_optn = TRUE; flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n], "-wqla%n", &dummyint); if (dummyint == 5) { savequartlh_optn = TRUE; saveqlhbin_optn = FALSE; flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n], "-wqf%n", &dummyint); if (dummyint == 4) { savequart_optn = TRUE; flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n],"-rqf%n", &dummyint); if (dummyint == 4) { readquart_optn = TRUE; flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n],"-bestq%n", &dummyint); if (dummyint == 6) { usebestq_optn = TRUE; flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n],"-hhh%n", &dummyint); if (dummyint==4) { printusagehhh((*argv)[0]); flagused = TRUE; } # endif /* HHH */ dummyint = 0; count = sscanf((*argv)[n],"-V%n", &dummyint); if (dummyint==2) { printversion((*argv)[0]); flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n],"-version%n", &dummyint); if (dummyint==8) { printversion((*argv)[0]); flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n],"--version%n", &dummyint); if (dummyint>=4) { printversion((*argv)[0]); flagused = TRUE; } dummyint = 0; count = sscanf((*argv)[n],"-h%n", &dummyint); if (dummyint==2) { printusage((*argv)[0]); flagused = TRUE; } count = sscanf((*argv)[n],"-randseed%d", &dummyint); if (count == 1) { randseed = dummyint; flagused = TRUE; } #if 0 count = sscanf((*argv)[n],"-h%n", &dummyint); if ((count == 1) && (dummyint>=2)) printusage((*argv)[0]); count = sscanf((*argv)[n],"-writequarts%n", &dummyint); if (count == 1) writequartstofile = 1;; count = sscanf((*argv)[n],"-ws%d", &dummyint); if (count == 1) windowsize = dummyint; #endif if ((*argv)[n][0] != '-') { if (infileset == 0) { strcpy(INFILE, (*argv)[n]); infileset++; sprintf(OUTFILE ,"%s.%s", INFILE, OUTFILEEXT); sprintf(TREEFILE ,"%s.%s", INFILE, TREEFILEEXT); sprintf(DISTANCES ,"%s.%s", INFILE, DISTANCESEXT); sprintf(TRIANGLE ,"%s.%s", INFILE, TRIANGLEEXT); sprintf(UNRESOLVED ,"%s.%s", INFILE, UNRESOLVEDEXT); sprintf(ALLQUART ,"%s.%s", INFILE, ALLQUARTEXT); sprintf(ALLQUARTLH ,"%s.%s", INFILE, ALLQUARTLHEXT); sprintf(OUTPTLIST ,"%s.%s", INFILE, OUTPTLISTEXT); sprintf(OUTPTORDER ,"%s.%s", INFILE, OUTPTORDEREXT); FPRINTF(STDOUTFILE "Input file: %s\n", INFILE); flagused = TRUE; } else { if (intreefileset == 0) { strcpy(INTREE, (*argv)[n]); intreefileset++; sprintf(OUTFILE ,"%s.%s", INTREE, OUTFILEEXT); sprintf(TREEFILE ,"%s.%s", INTREE, TREEFILEEXT); sprintf(DISTANCES ,"%s.%s", INTREE, DISTANCESEXT); FPRINTF(STDOUTFILE "Usertree file: %s\n", INTREE); flagused = TRUE; } } } if (flagused == FALSE) { fprintf(stderr, "WARNING: commandline parameter %d not recognized (\"%s\")\n", n, (*argv)[n]); } flagused = FALSE; } } /* scancmdline */ /***************************************************************/ void inputandinit(int *argc, char **argv[]) { int ci; /* vectors used in QP and LM analysis */ qweight = new_dvector(3); sqdiff = new_dvector(3); qworder = new_ivector(3); sqorder = new_ivector(3); /* Initialization and parsing of Commandline */ setdefaults(); scancmdline(argc, argv); /* initialize random numbers generator */ if (randseed >= 0) fprintf(stderr, "WARNING: random seed set to %d for debugging!\n", randseed); randseed = initrandom(randseed); psteptreelist = NULL; psteptreesum = 0; bestratefound = 0; # ifndef ALPHA FPRINTF(STDOUTFILE "\n\n\nWELCOME TO TREE-PUZZLE %s!\n\n\n", VERSION); # else FPRINTF(STDOUTFILE "\n\n\nWELCOME TO TREE-PUZZLE %s%s!\n\n\n", VERSION, ALPHA); # endif /* get sequences */ openfiletoread(&seqfp, INFILE, "sequence data"); getsizesites(seqfp); FPRINTF(STDOUTFILE "\nInput data set contains %d sequences of length %d\n", Maxspc, Maxseqc); getdataset(seqfp); closefile(seqfp); data_optn = guessdatatype(); /* translate characters into format used by ML engine */ nuc_optn = TRUE; SH_optn = FALSE; Seqchar = NULL; translatedataset(); /* estimate base frequencies from data set */ Freqtpm = NULL; Basecomp = NULL; estimatebasefreqs(); /* guess model of substitution */ guessmodel(); /* initialize guess variables */ auto_datatype = AUTO_GUESS; if (data_optn == AMINOACID) auto_aamodel = AUTO_GUESS; else auto_aamodel = AUTO_DEFAULT; /* save guessed amino acid options */ guessDayhf_optn = Dayhf_optn; guessJtt_optn = Jtt_optn; guessmtrev_optn = mtrev_optn; guesscprev_optn = cprev_optn; guessblosum62_optn = blosum62_optn; guessvtmv_optn = vtmv_optn; guesswag_optn = wag_optn; guessauto_aamodel = auto_aamodel; /* check for user specified tree */ if ((utfp = fopen(INTREE, "r")) != NULL) { fclose(utfp); puzzlemode = USERTREE; } else { puzzlemode = QUARTPUZ; } /* reserve memory for cluster LM analysis */ clusterA = new_ivector(Maxspc); clusterB = new_ivector(Maxspc); clusterC = new_ivector(Maxspc); clusterD = new_ivector(Maxspc); /* set options interactively */ setoptions(); /* open usertree file right after start */ if (typ_optn == TREERECON_OPTN && puzzlemode == USERTREE) { openfiletoread(&utfp, INTREE, "user trees"); } /* start main timer */ time(&Starttime); Startcpu=clock(); addtimes(OPTIONS, &tarr); /* symmetrize doublet frequencies if specified */ symdoublets(); /* initialise ML */ mlstart(); /* determine how many usertrees */ if (typ_optn == TREERECON_OPTN && puzzlemode == USERTREE) { numutrees = 0; do { ci = fgetc(utfp); if ((char) ci == ';') numutrees++; } while (ci != EOF); rewind(utfp); if (numutrees < 1) { FPRINTF(STDOUTFILE "Unable to proceed (no tree in input tree file)\n\n\n"); exit(1); } } /* check fraction of invariable sites */ if ((rhetmode == TWORATE || rhetmode == MIXEDRATE) && !fracinv_optim) /* fraction of invariable site was specified manually */ if (fracinv > MAXFI) fracinv = MAXFI; addtimes(GENERAL, &tarr); /* estimate parameters */ if (!(typ_optn == TREERECON_OPTN && puzzlemode == USERTREE)) { /* no tree present */ estimateparametersnotree(); } else { if (utree_optn) { /* use 1st user tree */ readusertree(utfp); rewind(utfp); estimateparameterstree(); } else { /* don't use first user tree */ estimateparametersnotree(); } } addtimes(PARAMEST, &tarr); /* compute expected Ts/Tv ratio */ if (data_optn == NUCLEOTIDE) computeexpectations(); } /* inputandinit */ /***************************************************************/ void evaluatetree(FILE *intreefp, FILE *outtreefp, int pmode, int utreenum, int maxutree, int *oldlocroot) { switch (pmode) { case QUARTPUZ: /* read QP tree */ readusertree(intreefp); FPRINTF(STDOUTFILE "Computing maximum likelihood branch lengths (without clock)\n"); fflush(STDOUT); usertree_lklhd(); findbestratecombination(); break; case USERTREE: /* read user tree */ readusertree(intreefp); FPRINTF(STDOUTFILE "Computing maximum likelihood branch lengths (without clock) for tree # %d\n", utreenum+1); fflush(STDOUT); usertree_lklhd(); if (maxutree > 1) { ulkl[utreenum] = Ctree->lklhd; allsitelkl(Ctree->condlkl, allsites[utreenum]); } if (utreenum==0) findbestratecombination(); break; } if (compclock) { /* clocklike branch length */ switch (pmode) { case QUARTPUZ: FPRINTF(STDOUTFILE "Computing maximum likelihood branch lengths (with clock)\n"); fflush(STDOUT); break; case USERTREE: FPRINTF(STDOUTFILE "Computing maximum likelihood branch lengths (with clock) for tree # %d\n", utreenum+1); fflush(STDOUT); break; } /* find best place for root */ rootsearch = 0; if (utreenum==0) locroot = *oldlocroot; else *oldlocroot = locroot; if (locroot < 0) { locroot = findrootedge(); rootsearch = 1; } /* if user-specified edge for root does not exist use displayed outgroup */ if (!checkedge(locroot)) { locroot = outgroup; rootsearch = 2; } /* compute likelihood */ clock_lklhd(locroot); if (maxutree > 1) { ulklc[utreenum] = Ctree->lklhdc; allsitelkl(Ctree->condlkl, allsitesc[utreenum]); } } if (clockmode == 0) fprintf(outtreefp, "[ lh=%.6f ]", Ctree->lklhd); else fprintf(outtreefp, "[ lh=%.6f ]", Ctree->lklhdc); /* write ML branch length tree to outree file */ clockmode = 0; /* nonclocklike branch lengths */ fputphylogeny(outtreefp); /* clocklike branch lengths */ if (compclock) { clockmode = 1; fputrooted(outtreefp, locroot); } } /* evaluatetree */ /***************************************************************/ void memcleanup() { if (puzzlemode == QUARTPUZ && typ_optn == TREERECON_OPTN) { free(splitfreqs); free(splitpatterns); free(splitsizes); free_ivector(consconfid); free_ivector(conssizes); free_cmatrix(consbiparts); free_ulivector(badtaxon); } free_cmatrix(Identif); free_dvector(Freqtpm); free_imatrix(Basecomp); free_ivector(clusterA); free_ivector(clusterB); free_ivector(clusterC); free_ivector(clusterD); free_dvector(qweight); free_dvector(sqdiff); free_ivector(qworder); free_ivector(sqorder); freetreelist(&psteptreelist, &psteptreenum, &psteptreesum); } /* memcleanup */ /***************************************************************/ /******************************************************************************/ /* main part */ /******************************************************************************/ int main(int argc, char *argv[]) { int i, oldlocroot=0; /* start main timer */ time(&walltimestart); cputimestart = clock(); inittimearr(&tarr); # if PARALLEL PP_Init(&argc, &argv); if (PP_IamSlave) { slave_main(argc, argv); } else { # endif /* PARALLEL */ inputandinit(&argc, &argv); FPRINTF(STDOUTFILE "Writing parameters to file %s\n", OUTFILE); openfiletowrite(&ofp, OUTFILE, "general output"); /* openfiletowrite(&ofp, "xxxx", "general output"); */ writeoutputfile(ofp,WRITEPARAMS); fclose(ofp); /* write distance matrix */ FPRINTF(STDOUTFILE "Writing pairwise distances to file %s\n", DISTANCES); openfiletowrite(&dfp, DISTANCES, "pairwise distances"); putdistance(dfp); closefile(dfp); # if PARALLEL PP_SendSizes(Maxspc, Maxsite, numcats, Numptrn, tpmradix, outgroup, fracconst, randseed); PP_SendData(Seqpat, /* cmatrix */ Alias, Weight, constpat, /* ivector */ Rates, Eval, Freqtpm, /* dvector */ Evec, Ievc, iexp, Distanmat, /* dmatrix */ ltprobr); /* dcube */ # endif /* PARALLEL */ psteptreestrlen = (Maxspc * (int)(1 + log10(Maxspc))) + (Maxspc * 3); switch (typ_optn) { case TREERECON_OPTN: /* tree reconstruction */ if (puzzlemode == QUARTPUZ) { /* quartet puzzling */ recon_tree(); } /* quartet puzzling */ break; case LIKMAPING_OPTN: /* likelihood mapping */ map_lklhd(); break; } /* switch typ_optn */ free_cmatrix(Seqchar); free_cmatrix(seqchars); /* reserve memory for tree statistics */ if (typ_optn == TREERECON_OPTN && puzzlemode == USERTREE && numutrees > 1) { ulkl = new_dvector(numutrees); allsites = new_dmatrix(numutrees,Numptrn); if (compclock) { ulklc = new_dvector(numutrees); allsitesc = new_dmatrix(numutrees,Numptrn); } } /* write puzzling step tree list */ if ((listqptrees == PSTOUT_ORDER) || (listqptrees == PSTOUT_LISTORDER)) { openfiletowrite(&qptorder, OUTPTORDER, "puzzling step trees (unique)"); fprintfsortedpstrees(qptorder, psteptreelist, psteptreenum, psteptreesum, 1, 0.0); closefile(qptorder); } /* compute ML branch lengths for QP tree and for 1st user tree */ switch(typ_optn) { case TREERECON_OPTN: /* open outtree file */ openfiletowrite(&tfp, TREEFILE, "output tree(s)"); addtimes(GENERAL, &tarr); switch (puzzlemode) { case QUARTPUZ: /* read QP tree */ rewind(tmpfp); openfiletowrite(&tfp, TREEFILE, "output tree(s)"); evaluatetree(tmpfp, tfp, puzzlemode, 0, 1, &oldlocroot); addtimes(TREEEVAL, &tarr); closefile(tmpfp); closefile(tfp); openfiletoappend(&ofp, OUTFILE, "general output"); writeoutputfile(ofp,WRITEREST); break; case USERTREE: /* read user tree */ openfiletoappend(&ofp, OUTFILE, "general output"); openfiletowrite(&tfp, TREEFILE, "output tree(s)"); for (i = 0; i < numutrees; i++) { evaluatetree(utfp, tfp, puzzlemode, i, numutrees, &oldlocroot); if (i==0) writeoutputfile(ofp,WRITEREST); writecutree(ofp, i+1); addtimes(TREEEVAL, &tarr); } closefile(tfp); closefile(utfp); break; default: openfiletoappend(&ofp, OUTFILE, "general output"); writeoutputfile(ofp,WRITEREST); break; } /* switch puzzlemode */ break; default: openfiletoappend(&ofp, OUTFILE, "general output"); writeoutputfile(ofp,WRITEREST); break; } /* switch typ_optn */ /* print tree statistics */ if (typ_optn == TREERECON_OPTN && puzzlemode == USERTREE && numutrees > 1) printtreestats(ofp); /* free memory for tree statistics */ if (typ_optn == TREERECON_OPTN && puzzlemode == USERTREE && numutrees > 1) { free_dvector(ulkl); free_dmatrix(allsites); if (compclock) { free_dvector(ulklc); free_dmatrix(allsitesc); } } # if PARALLEL PP_SendDone(); # endif /* PARALLEL */ /* write CPU/Wallclock times and parallel statistics */ time(&walltimestop); cputimestop = clock(); addtimes(OVERALL, &tarr); # ifdef TIMEDEBUG printtimearr(&tarr); # endif /* TIMEDEBUG */ fullcpu = tarr.fullcpu; fulltime = tarr.fulltime; # if PARALLEL writetimesstat(ofp); # endif /* PARALLEL */ /* stop timer */ time(&Stoptime); Stopcpu=clock(); timestamp(ofp); closefile(ofp); /* printbestratecombination(stderr); */ mlfinish(); FPRINTF(STDOUTFILE "\nAll results written to disk:\n"); FPRINTF(STDOUTFILE " Puzzle report file: %s\n", OUTFILE); FPRINTF(STDOUTFILE " Likelihood distances: %s\n", DISTANCES); if (typ_optn == TREERECON_OPTN && puzzlemode != PAIRDIST) FPRINTF(STDOUTFILE " Phylip tree file: %s\n", TREEFILE); if (typ_optn == TREERECON_OPTN && puzzlemode == QUARTPUZ) { if ((listqptrees == PSTOUT_ORDER) ||(listqptrees == PSTOUT_LISTORDER)) FPRINTF(STDOUTFILE " Unique puzzling step trees: %s\n", OUTPTORDER); if ((listqptrees == PSTOUT_LIST) ||(listqptrees == PSTOUT_LISTORDER)) FPRINTF(STDOUTFILE " Puzzling step tree list: %s\n", OUTPTLIST); } if (show_optn && typ_optn == TREERECON_OPTN && puzzlemode == QUARTPUZ) FPRINTF(STDOUTFILE " Unresolved quartets: %s\n", UNRESOLVED); if (typ_optn == LIKMAPING_OPTN) FPRINTF(STDOUTFILE " Likelihood mapping diagram: %s\n", TRIANGLE); FPRINTF(STDOUTFILE "\n"); /* runtime message */ FPRINTF(STDOUTFILE "The computation took %.0f seconds (= %.1f minutes = %.1f hours)\n", difftime(Stoptime, Starttime), difftime(Stoptime, Starttime)/60., difftime(Stoptime, Starttime)/3600.); FPRINTF(STDOUTFILE " including input %.0f seconds (= %.1f minutes = %.1f hours)\n", fulltime, fulltime/60., fulltime/3600.); #ifdef TIMEDEBUG FPRINTF(STDOUTFILE "and %.0f seconds CPU time (= %.1f minutes = %.1f hours)\n\n", fullcpu, fullcpu/60., fullcpu/3600.); #endif /* TIMEDEBUG */ /* free memory */ memcleanup(); # if PARALLEL } /* !IamSlave */ PP_Finalize(); # endif /* PARALLEL */ return 0; } /* compare function for uli - sort largest numbers first */ int ulicmp(const void *ap, const void *bp) { uli a, b; a = *((uli *) ap); b = *((uli *) bp); if (a > b) return -1; else if (a < b) return 1; else return 0; } /* compare function for int - sort smallest numbers first */ int intcmp(const void *ap, const void *bp) { int a, b; a = *((int *) ap); b = *((int *) bp); if (a < b) return -1; else if (a > b) return 1; else return 0; } ./arbsrc_9167/GDE/TREEPUZZLE/src/puzzle2.c0000644012664100000130000021055211213220011017601 0ustar arb_buildcoders/* * puzzle2.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #define EXTERN extern #include "puzzle.h" #include #if PARALLEL # include "sched.h" #endif /* PARALLEL */ /******************************************************************************/ /* sequences */ /******************************************************************************/ /* read ten characters of current line as identifier */ void readid(FILE *infp, int t) { int i, j, flag, ci; for (i = 0; i < 10; i++) { ci = fgetc(infp); if (ci == EOF || !isprint(ci)) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (no name for sequence %d)\n\n\n", t+1); exit(1); } Identif[t][i] = (char) ci; } /* convert leading blanks in taxon name to underscores */ flag = FALSE; for (i = 9; i > -1; i--) { if (flag == FALSE) { if (Identif[t][i] != ' ') flag = TRUE; } else { if (Identif[t][i] == ' ') Identif[t][i] = '_'; } } /* check whether this name is already used */ for (i = 0; i < t; i++) { /* compare with all other taxa */ flag = TRUE; /* assume identity */ for (j = 0; (j < 10) && (flag == TRUE); j++) if (Identif[t][j] != Identif[i][j]) flag = FALSE; if (flag) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (multiple occurrences of sequence name '"); fputid(STDOUT, t); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } } } /* read next allowed character */ char readnextcharacter(FILE *ifp, int notu, int nsite) { char c; /* ignore blanks and control characters except newline */ do { if (fscanf(ifp, "%c", &c) != 1) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (missing character at position %d in sequence '", nsite + 1); fputid(STDOUT, notu); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } } while (c == ' ' || (iscntrl((int) c) && c != '\n')); return c; } /* skip rest of the line */ void skiprestofline(FILE* ifp, int notu, int nsite) { int ci; /* read chars until the first newline */ do{ ci = fgetc(ifp); if (ci == EOF) { FPRINTF(STDOUTFILE "Unable to proceed (missing newline at position %d in sequence '", nsite + 1); fputid(STDOUT, notu); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } } while ((char) ci != '\n'); } /* skip control characters and blanks */ void skipcntrl(FILE *ifp, int notu, int nsite) { int ci; /* read over all control characters and blanks */ do { ci = fgetc(ifp); if (ci == EOF) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (missing character at position %d in sequence '", nsite + 1); fputid(STDOUT, notu); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } } while (iscntrl(ci) || (char) ci == ' '); /* go one character back */ if (ungetc(ci, ifp) == EOF) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (positioning error at position %d in sequence '", nsite + 1); fputid(STDOUT, notu); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } } /* read sequences of one data set */ void getseqs(FILE *ifp) { int notu, nsite, endofline, linelength, i; char c; seqchars = new_cmatrix(Maxspc, Maxseqc); /* read all characters */ nsite = 0; /* next site to be read */ while (nsite < Maxseqc) { /* read first taxon */ notu = 0; /* go to next true line */ skiprestofline(ifp, notu, nsite); skipcntrl(ifp, notu, nsite); if (nsite == 0) readid(ifp, notu); endofline = FALSE; linelength = 0; do { c = readnextcharacter(ifp, notu, nsite + linelength); if (c == '\n') endofline = TRUE; else if (c == '.') { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (invalid character '.' at position "); FPRINTF(STDOUTFILE "%d in first sequence)\n\n\n", nsite + linelength + 1); exit(1); } else if (nsite + linelength < Maxseqc) { /* change to upper case */ seqchars[notu][nsite + linelength] = (char) toupper((int) c); linelength++; } else { endofline = TRUE; skiprestofline(ifp, notu, nsite + linelength); } } while (!endofline); if (linelength == 0) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (line with length 0 at position %d in sequence '", nsite + 1); fputid(STDOUT, notu); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } /* read other taxa */ for (notu = 1; notu < Maxspc; notu++) { /* go to next true line */ if (notu != 1) skiprestofline(ifp, notu, nsite); skipcntrl(ifp, notu, nsite); if (nsite == 0) readid(ifp, notu); for (i = nsite; i < nsite + linelength; i++) { c = readnextcharacter(ifp, notu, i); if (c == '\n') { /* too short */ FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (line to short at position %d in sequence '", i + 1); fputid(STDOUT, notu); FPRINTF(STDOUTFILE "')\n\n\n"); exit(1); } else if (c == '.') { seqchars[notu][i] = seqchars[0][i]; } else { /* change to upper case */ seqchars[notu][i] = (char) toupper((int) c); } } } nsite = nsite + linelength; } } /* initialize identifer array */ void initid(int t) { int i, j; Identif = new_cmatrix(t, 10); for (i = 0; i < t; i++) for (j = 0; j < 10; j++) Identif[i][j] = ' '; } /* print identifier of specified taxon in full 10 char length */ void fputid10(FILE *ofp, int t) { int i; for (i = 0; i < 10; i++) fputc(Identif[t][i], ofp); } /* print identifier of specified taxon up to first space */ int fputid(FILE *ofp, int t) { int i; i = 0; while (Identif[t][i] != ' ' && i < 10) { fputc(Identif[t][i], ofp); i++; } return i; } /* read first line of sequence data set */ void getsizesites(FILE *ifp) { if (fscanf(ifp, "%d", &Maxspc) != 1) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (missing number of sequences)\n\n\n"); exit(1); } if (fscanf(ifp, "%d", &Maxseqc) != 1) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (missing number of sites)\n\n\n"); exit(1); } if (Maxspc < 4) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (less than 4 sequences)\n\n\n"); exit(1); } if (Maxspc > 257) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (more than 257 sequences)\n\n\n"); exit(1); } if (Maxseqc < 1) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (no sequence sites)\n\n\n"); exit(1); } Maxbrnch = 2*Maxspc - 3; } /* read one data set - PHYLIP interleaved */ void getdataset(FILE *ifp) { initid(Maxspc); getseqs(ifp); } /* guess data type */ int guessdatatype() { uli numnucs, numchars, numbins; int notu, nsite; char c; /* count A, C, G, T, U, N */ numnucs = 0; numchars = 0; numbins = 0; for (notu = 0; notu < Maxspc; notu++) for (nsite = 0; nsite < Maxseqc; nsite++) { c = seqchars[notu][nsite]; if (c == 'A' || c == 'C' || c == 'G' || c == 'T' || c == 'U' || c == 'N') numnucs++; if (c != '-' && c != '?') numchars++; if (c == '0' || c == '1') numbins++; } if (numchars == 0) numchars = 1; /* more than 85 % frequency means nucleotide data */ if ((double) numnucs / (double) numchars > 0.85) return 0; else if ((double) numbins / (double) numchars > 0.2) return 2; else return 1; } /* translate characters into format used by ML engine */ void translatedataset() { int notu, sn, co; char c; cvector code; /* determine Maxsite - number of ML sites per taxon */ if (data_optn == 0 && SH_optn) { if (SHcodon) Maxsite = Maxseqc / 3; else Maxsite = Maxseqc / 2; /* assume doublets */ } else Maxsite = Maxseqc; if (data_optn == 0 && (Maxsite % 3) == 0 && !SH_optn) { if (codon_optn == 1 || codon_optn == 2 || codon_optn == 3) Maxsite = Maxsite / 3; /* only one of the three codon positions */ if (codon_optn == 4) Maxsite = 2*(Maxsite / 3); /* 1st + 2nd codon positions */ } /* reserve memory */ if (Seqchar != NULL) free_cmatrix(Seqchar); Seqchar = new_cmatrix(Maxspc, Maxsite); /* code length */ if (data_optn == 0 && SH_optn) code = new_cvector(2); else code = new_cvector(1); /* decode characters */ if (data_optn == 0 && SH_optn) { /* SH doublets */ for (notu = 0; notu < Maxspc; notu++) { for (sn = 0; sn < Maxsite; sn++) { for (co = 0; co < 2; co++) { if (SHcodon) c = seqchars[notu][sn*3 + co]; else c = seqchars[notu][sn*2 + co]; code[co] = c; } Seqchar[notu][sn] = code2int(code); } } } else if (!(data_optn == 0 && (Maxseqc % 3) == 0)) { /* use all */ for (notu = 0; notu < Maxspc; notu++) { for (sn = 0; sn < Maxsite; sn++) { code[0] = seqchars[notu][sn]; Seqchar[notu][sn] = code2int(code); } } } else { /* codons */ for (notu = 0; notu < Maxspc; notu++) { for (sn = 0; sn < Maxsite; sn++) { if (codon_optn == 1 || codon_optn == 2 || codon_optn == 3) code[0] = seqchars[notu][sn*3+codon_optn-1]; else if (codon_optn == 4) { if ((sn % 2) == 0) code[0] = seqchars[notu][(sn/2)*3]; else code[0] = seqchars[notu][((sn-1)/2)*3+1]; } else code[0] = seqchars[notu][sn]; Seqchar[notu][sn] = code2int(code); } } } free_cvector(code); } /* estimate mean base frequencies from translated data set */ void estimatebasefreqs() { int tpmradix, i, j; uli all, *gene; tpmradix = gettpmradix(); if (Freqtpm != NULL) free_dvector(Freqtpm); Freqtpm = new_dvector(tpmradix); if (Basecomp != NULL) free_imatrix(Basecomp); Basecomp = new_imatrix(Maxspc, tpmradix); gene = (uli *) malloc((unsigned) ((tpmradix + 1) * sizeof(uli))); if (gene == NULL) maerror("gene in estimatebasefreqs"); for (i = 0; i < tpmradix + 1; i++) gene[i] = 0; for (i = 0; i < Maxspc; i++) for (j = 0; j < tpmradix; j++) Basecomp[i][j] = 0; for (i = 0; i < Maxspc; i++) for (j = 0; j < Maxsite; j++) { gene[(int) Seqchar[i][j]]++; if (Seqchar[i][j] != tpmradix) Basecomp[i][(int) Seqchar[i][j]]++; } all = Maxspc * Maxsite - gene[tpmradix]; if (all != 0) { /* normal case */ for (i = 0; i < tpmradix; i++) Freqtpm[i] = (double) gene[i] / (double) all; } else { /* pathological case with no unique character in data set */ for (i = 0; i < tpmradix; i++) Freqtpm[i] = 1.0 / (double) tpmradix; } free(gene); Frequ_optn = TRUE; } /* guess model of substitution */ void guessmodel() { double c1, c2, c3, c4, c5, c6; dvector f; dmatrix a; int i; Dayhf_optn = FALSE; Jtt_optn = TRUE; mtrev_optn = FALSE; cprev_optn = FALSE; blosum62_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; TSparam = 2.0; YRparam = 1.0; optim_optn = TRUE; HKY_optn = TRUE; TN_optn = FALSE; if (data_optn == 1) { /* amino acids */ /* chi2 fit to amino acid frequencies */ f = new_dvector(20); a = new_dmatrix(20,20); /* chi2 distance Dayhoff */ dyhfdata(a, f); c1 = 0; for (i = 0; i < 20; i++) c1 = c1 + (Freqtpm[i]-f[i])*(Freqtpm[i]-f[i]); /* chi2 distance JTT */ jttdata(a, f); c2 = 0; for (i = 0; i < 20; i++) c2 = c2 + (Freqtpm[i]-f[i])*(Freqtpm[i]-f[i]); /* chi2 distance mtREV */ mtrevdata(a, f); c3 = 0; for (i = 0; i < 20; i++) c3 = c3 + (Freqtpm[i]-f[i])*(Freqtpm[i]-f[i]); /* chi2 distance VT */ vtmvdata(a, f); c4 = 0; for (i = 0; i < 20; i++) c4 = c4 + (Freqtpm[i]-f[i])*(Freqtpm[i]-f[i]); /* chi2 distance WAG */ wagdata(a, f); c5 = 0; for (i = 0; i < 20; i++) c5 = c5 + (Freqtpm[i]-f[i])*(Freqtpm[i]-f[i]); /* chi2 distance cpREV */ cprev45data(a, f); c6 = 0; for (i = 0; i < 20; i++) c6 = c6 + (Freqtpm[i]-f[i])*(Freqtpm[i]-f[i]); free_dvector(f); free_dmatrix(a); #ifndef CPREV if ((c1 < c2) && (c1 < c3) && (c1 < c4) && (c1 < c5)) { /* c1 -> Dayhoff */ Dayhf_optn = TRUE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { if ((c2 < c3) && (c2 < c4) && (c2 < c5)) { /* c2 -> JTT */ Dayhf_optn = FALSE; Jtt_optn = TRUE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { if ((c3 < c4) && (c3 < c5)) { /* c3 -> mtREV */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = TRUE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on mtDNA)\n"); } else { if ((c4 < c5)) { /* c4 -> VT */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = TRUE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { /* c5 -> WAG */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = TRUE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } /* if c4 else c5 */ } /* if c3 else c4 */ } /* if c2 */ } /* if c1 */ #else /* CPREV */ if ((c1 < c2) && (c1 < c3) && (c1 < c4) && (c1 < c5) && (c1 < c6)) { /* c1 -> Dayhoff */ Dayhf_optn = TRUE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { if ((c2 < c3) && (c2 < c4) && (c2 < c5) && (c2 < c6)) { /* c2 -> JTT */ Dayhf_optn = FALSE; Jtt_optn = TRUE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { if ((c3 < c4) && (c3 < c5) && (c3 < c6)) { /* c3 -> mtREV */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = TRUE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on mtDNA)\n"); } else { if ((c4 < c5) && (c4 < c6)) { /* c4 -> VT */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = TRUE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { if (c5 < c6) { /* c5 -> WAG */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = FALSE; vtmv_optn = FALSE; wag_optn = TRUE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on nuclear DNA)\n"); } else { /* if (c6) */ /* c6 -> cpREV */ Dayhf_optn = FALSE; Jtt_optn = FALSE; mtrev_optn = FALSE; cprev_optn = TRUE; vtmv_optn = FALSE; wag_optn = FALSE; FPRINTF(STDOUTFILE "(consists very likely of amino acids encoded on cpDNA)\n"); } /* if c5 else c6 */ } /* if c4 else c5 */ } /* if c3 else c4 */ } /* if c2 */ } /* if c1 */ #endif /* CPREV */ } else if (data_optn == 0) { FPRINTF(STDOUTFILE "(consists very likely of nucleotides)\n"); } else { FPRINTF(STDOUTFILE "(consists very likely of binary state data)\n"); } } /* guessmodel */ /******************************************************************************/ /* functions for representing and building puzzling step trees */ /******************************************************************************/ /* initialize tree with the following starting configuration 2 0 +------- C(=2) A(=0) -----+ +------- B(=1) 1 */ void inittree() { int i; /* allocate the memory for the whole tree */ /* allocate memory for vector with all the edges of the tree */ edge = (ONEEDGE *) calloc(Maxbrnch, sizeof(ONEEDGE) ); if (edge == NULL) maerror("edge in inittree"); /* allocate memory for vector with edge numbers of leaves */ edgeofleaf = (int *) calloc(Maxspc, sizeof(int) ); if (edgeofleaf == NULL) maerror("edgeofleaf in inittree"); /* allocate memory for all the edges the edge map */ for (i = 0; i < Maxbrnch; i++) { edge[i].edgemap = (int *) calloc(Maxbrnch, sizeof(int) ); if (edge[i].edgemap == NULL) maerror("edgemap in inittree"); } /* number all edges */ for (i = 0; i < Maxbrnch; i++) edge[i].numedge = i; /* initialize tree */ nextedge = 3; nextleaf = 3; /* edge maps */ (edge[0].edgemap)[0] = 0; /* you are on the right edge */ (edge[0].edgemap)[1] = 4; /* go down left for leaf 1 */ (edge[0].edgemap)[2] = 5; /* go down right for leaf 2 */ (edge[1].edgemap)[0] = 1; /* go up for leaf 0 */ (edge[1].edgemap)[1] = 0; /* you are on the right edge */ (edge[1].edgemap)[2] = 3; /* go up/down right for leaf 2 */ (edge[2].edgemap)[0] = 1; /* go up for leaf 0 */ (edge[2].edgemap)[1] = 2; /* go up/down left for leaf 1 */ (edge[2].edgemap)[2] = 0; /* you are on the right edge */ /* interconnection */ edge[0].up = NULL; edge[0].downleft = &edge[1]; edge[0].downright = &edge[2]; edge[1].up = &edge[0]; edge[1].downleft = NULL; edge[1].downright = NULL; edge[2].up = &edge[0]; edge[2].downleft = NULL; edge[2].downright = NULL; /* edges of leaves */ edgeofleaf[0] = 0; edgeofleaf[1] = 1; edgeofleaf[2] = 2; } /* inittree */ /* add next leaf on the specified edge */ void addnextleaf(int dockedge) { int i; if (dockedge >= nextedge) { /* Trying to add leaf nextleaf to nonexisting edge dockedge */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR F TO DEVELOPERS\n\n\n"); exit(1); } if (nextleaf >= Maxspc) { /* Trying to add leaf nextleaf to a tree with Maxspc leaves */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR G TO DEVELOPERS\n\n\n"); exit(1); } /* necessary change in edgeofleaf if dockedge == edgeofleaf[0] */ if (edgeofleaf[0] == dockedge) edgeofleaf[0] = nextedge; /* adding nextedge to the tree */ edge[nextedge].up = edge[dockedge].up; edge[nextedge].downleft = &edge[dockedge]; edge[nextedge].downright = &edge[nextedge+1]; edge[dockedge].up = &edge[nextedge]; if (edge[nextedge].up != NULL) { if ( ((edge[nextedge].up)->downleft) == &edge[dockedge] ) (edge[nextedge].up)->downleft = &edge[nextedge]; else (edge[nextedge].up)->downright = &edge[nextedge]; } /* adding nextedge + 1 to the tree */ edge[nextedge+1].up = &edge[nextedge]; edge[nextedge+1].downleft = NULL; edge[nextedge+1].downright = NULL; edgeofleaf[nextleaf] = nextedge+1; /* the two new edges get info about the old edges */ /* nextedge */ for (i = 0; i < nextedge; i++) { switch ( (edge[dockedge].edgemap)[i] ) { /* down right changes to down left */ case 5: (edge[nextedge].edgemap)[i] = 4; break; /* null changes to down left */ case 0: (edge[nextedge].edgemap)[i] = 4; break; default: (edge[nextedge].edgemap)[i] = (edge[dockedge].edgemap)[i]; break; } } /* nextedge + 1 */ for (i = 0; i < nextedge; i++) { switch ( (edge[dockedge].edgemap)[i] ) { /* up/down left changes to up */ case 2: (edge[nextedge+1].edgemap)[i] = 1; break; /* up/down right changes to up */ case 3: (edge[nextedge+1].edgemap)[i] = 1; break; /* down left changes to up/down left */ case 4: (edge[nextedge+1].edgemap)[i] = 2; break; /* down right changes to up/down left */ case 5: (edge[nextedge+1].edgemap)[i] = 2; break; /* null changes to up/down left */ case 0: (edge[nextedge+1].edgemap)[i] = 2; break; /* up stays up */ default: (edge[nextedge+1].edgemap)[i] = (edge[dockedge].edgemap)[i]; break; } } /* dockedge */ for (i = 0; i < nextedge; i++) { switch ( (edge[dockedge].edgemap)[i] ) { /* up/down right changes to up */ case 3: (edge[dockedge].edgemap)[i] = 1; break; /* up/down left changes to up */ case 2: (edge[dockedge].edgemap)[i] = 1; break; default: break; } } /* all edgemaps are updated for the two new edges */ /* nextedge */ (edge[nextedge].edgemap)[nextedge] = 0; (edge[nextedge].edgemap)[nextedge+1] = 5; /* down right */ /* nextedge + 1 */ (edge[nextedge+1].edgemap)[nextedge] = 1; /* up */ (edge[nextedge+1].edgemap)[nextedge+1] = 0; /* all other edges */ for (i = 0; i < nextedge; i++) { (edge[i].edgemap)[nextedge] = (edge[i].edgemap)[dockedge]; (edge[i].edgemap)[nextedge+1] = (edge[i].edgemap)[dockedge]; } /* an extra for dockedge */ (edge[dockedge].edgemap)[nextedge] = 1; /* up */ (edge[dockedge].edgemap)[nextedge+1] = 3; /* up/down right */ nextleaf++; nextedge = nextedge + 2; } /* addnextleaf */ /* free memory (to be called after inittree) */ void freetree() { int i; for (i = 0; i < 2 * Maxspc - 3; i++) free(edge[i].edgemap); free(edge); free(edgeofleaf); } /* freetree */ /* writes OTU sitting on edge ed */ void writeOTU(FILE *outfp, int ed) { int i; /* test whether we are on a leaf */ if (edge[ed].downright == NULL && edge[ed].downleft == NULL) { for (i = 1; i < nextleaf; i++) { if (edgeofleaf[i] == ed) { /* i is the leaf of ed */ column += fputid(outfp, trueID[i]); return; } } } /* we are NOT on a leaf */ fprintf(outfp, "("); column++; writeOTU(outfp, edge[ed].downleft->numedge); fprintf(outfp, ","); column++; column++; if (column > 55) { column = 2; fprintf(outfp, "\n "); } writeOTU(outfp, edge[ed].downright->numedge); fprintf(outfp, ")"); column++; } /* writeOTU */ /* write tree */ void writetree(FILE *outfp) { column = 1; fprintf(outfp, "("); column += fputid(outfp, trueID[0]) + 3; fprintf(outfp, ","); writeOTU(outfp, edge[edgeofleaf[0]].downleft->numedge); column++; column++; fprintf(outfp, ","); writeOTU(outfp, edge[edgeofleaf[0]].downright->numedge); fprintf(outfp, ");\n"); } /* writetree */ /* clear all edgeinfos */ void resetedgeinfo() { int i; for (i = 0; i < nextedge; i++) edge[i].edgeinfo = 0; } /* resetedgeinfo */ /* increment all edgeinfo between leaf A and B */ void incrementedgeinfo(int A, int B) { int curredge, finaledge, nextstep; if (A == B) return; finaledge = edgeofleaf[B]; curredge = edgeofleaf[A]; edge[curredge].edgeinfo = edge[curredge].edgeinfo + 1; while (curredge != finaledge) { nextstep = (edge[curredge].edgemap)[finaledge]; switch (nextstep) { /* up */ case 1: curredge = (edge[curredge].up)->numedge; break; /* up/down left */ case 2: curredge = ((edge[curredge].up)->downleft)->numedge; break; /* up/down right */ case 3: curredge = ((edge[curredge].up)->downright)->numedge; break; /* down left */ case 4: curredge = (edge[curredge].downleft)->numedge; break; /* down right */ case 5: curredge = (edge[curredge].downright)->numedge; break; } edge[curredge].edgeinfo = edge[curredge].edgeinfo + 1; } } /* incrementedgeinfo */ /* checks which edge has the lowest edgeinfo if there are several edges with the same lowest edgeinfo, one of them will be selected randomly */ void minimumedgeinfo() { int i, k, howmany, randomnum; howmany = 1; minedge = 0; mininfo = edge[0].edgeinfo; for (i = 1; i < nextedge; i++) if (edge[i].edgeinfo <= mininfo) { if (edge[i].edgeinfo == mininfo) { howmany++; } else { minedge = i; mininfo = edge[i].edgeinfo; howmany = 1; } } if (howmany > 1) { /* draw random edge */ randomnum = randominteger(howmany) + 1; /* 1 to howmany */ i = -1; for (k = 0; k < randomnum; k++) { do { i++; } while (edge[i].edgeinfo != mininfo); minedge = i; } } } /* minimumedgeinfo */ /*******************************************/ /* tree sorting */ /*******************************************/ /* compute address of the 4 int (sort key) in the 4 int node */ int ct_sortkeyaddr(int addr) { int a, res; a = addr % 4; res = addr - a + 3; return res; } /**********/ /* compute address of the next edge pointer in a 4 int node (0->1->2->0) */ int ct_nextedgeaddr(int addr) { int a, res; a = addr % 4; if ( a == 2 ) { res = addr - 2; } else { res = addr + 1; } return res; } /**********/ /* compute address of 1st edge of a 4 int node from node number */ int ct_1stedge(int node) { int res; res = 4 * node; return res; } /**********/ /* compute address of 2nd edge of a 4 int node from node number */ int ct_2ndedge(int node) { int res; res = 4 * node +1; return res; } /**********/ /* compute address of 3rd edge of a 4 int node from node number */ int ct_3rdedge(int node) { int res; res = 4 * node +2; return res; } /**********/ /* check whether node 'node' is a leaf (2nd/3rd edge pointer = -1) */ int ct_isleaf(int node, int *ctree) { return (ctree[ct_3rdedge(node)] < 0); } /**********/ /* compute node number of 4 int node from an edge addr. */ int ct_addr2node(int addr) { int a, res; a = addr % 4; res = (int) ((addr - a) / 4); return res; } /**********/ /* print graph pointers for checking */ void printctree(int *ctree) { int n; for (n=0; n < 2*Maxspc; n++) { printf("n[%3d] = (%3d.%2d, %3d.%2d, %3d.%2d | %3d)\n", n, (int) ctree[ct_1stedge(n)]/4, (int) ctree[ct_1stedge(n)]%4, (int) ctree[ct_2ndedge(n)]/4, (int) ctree[ct_2ndedge(n)]%4, (int) ctree[ct_3rdedge(n)]/4, (int) ctree[ct_3rdedge(n)]%4, ctree[ct_3rdedge(n)+1]); } printf("\n"); } /* printctree */ /**********/ /* allocate memory for ctree 3 ints pointer plus 1 check byte */ int *initctree() { int *snodes; int n; snodes = (int *) malloc(4 * 2 * Maxspc * sizeof(int)); if (snodes == NULL) maerror("snodes in copytree"); for (n=0; n<(4 * 2 * Maxspc); n++) { snodes[n]=-1; } return snodes; } /**********/ /* free memory of a tree for sorting */ void freectree(int **snodes) { free(*snodes); *snodes = NULL; } /**********/ /* copy subtree recursively */ void copyOTU(int *ctree, /* tree array struct */ int *ct_nextnode, /* next free node */ int ct_curredge, /* currende edge to add subtree */ int *ct_nextleaf, /* next free leaf (0-maxspc) */ int ed) /* edge in puzzling step tree */ { int i, nextcurredge; /* test whether we are on a leaf */ if (edge[ed].downright == NULL && edge[ed].downleft == NULL) { for (i = 1; i < nextleaf; i++) { if (edgeofleaf[i] == ed) { /* i is the leaf of ed */ nextcurredge = ct_1stedge(*ct_nextleaf); ctree[ct_curredge] = nextcurredge; ctree[nextcurredge] = ct_curredge; ctree[ct_sortkeyaddr(nextcurredge)] = trueID[i]; (*ct_nextleaf)++; return; } } } /* we are NOT on a leaf */ nextcurredge = ct_1stedge(*ct_nextnode); ctree[ct_curredge] = nextcurredge; ctree[nextcurredge] = ct_curredge; (*ct_nextnode)++; nextcurredge = ct_nextedgeaddr(nextcurredge); copyOTU(ctree, ct_nextnode, nextcurredge, ct_nextleaf, edge[ed].downleft->numedge); nextcurredge = ct_nextedgeaddr(nextcurredge); copyOTU(ctree, ct_nextnode, nextcurredge, ct_nextleaf, edge[ed].downright->numedge); } /**********/ /* copy treestructure to sorting structure */ void copytree(int *ctree) { int ct_curredge; int ct_nextleaf; int ct_nextnode; ct_nextnode = Maxspc; ct_curredge = ct_1stedge(ct_nextnode); ct_nextleaf = 1; ctree[ct_1stedge(0)] = ct_curredge; ctree[ct_curredge] = ct_1stedge(0); ctree[ct_sortkeyaddr(0)] = trueID[0]; ct_nextnode++; ct_curredge = ct_nextedgeaddr(ct_curredge); copyOTU(ctree, &ct_nextnode, ct_curredge, &ct_nextleaf, edge[edgeofleaf[0]].downleft->numedge); ct_curredge = ct_nextedgeaddr(ct_curredge); copyOTU(ctree, &ct_nextnode, ct_curredge, &ct_nextleaf, edge[edgeofleaf[0]].downright->numedge); } /**********/ /* sort subtree from edge recursively by indices */ int sortOTU(int edge, int *ctree) { int key1, key2; int edge1, edge2; int tempedge; if (ctree[ct_2ndedge((int) (edge / 4))] < 0) return ctree[ct_sortkeyaddr(edge)]; edge1 = ctree[ct_nextedgeaddr(edge)]; edge2 = ctree[ct_nextedgeaddr(ct_nextedgeaddr(edge))]; /* printf ("visiting [%5d] -> [%5d], [%5d]\n", edge, edge1, edge2); */ /* printf ("visiting [%2d.%2d] -> [%2d.%2d], [%2d.%2d]\n", (int)(edge/4), edge%4, (int)(edge1/4), edge1%4, (int)(edge2/4), edge2%4); */ key1 = sortOTU(edge1, ctree); key2 = sortOTU(edge2, ctree); if (key2 < key1) { tempedge = ctree[ctree[edge1]]; ctree[ctree[edge1]] = ctree[ctree[edge2]]; ctree[ctree[edge2]] = tempedge; tempedge = ctree[edge1]; ctree[edge1] = ctree[edge2]; ctree[edge2] = tempedge; ctree[ct_sortkeyaddr(edge)] = key2; } else { ctree[ct_sortkeyaddr(edge)] = key1; } return ctree[ct_sortkeyaddr(edge)]; } /**********/ /* sort ctree recursively by indices */ int sortctree(int *ctree) { int n, startnode=-1; for(n=0; n>>>\n"); tmpptr = list; *sortlist = list; while (tmpptr != NULL) { (*tmpptr).sortnext = (*tmpptr).succ; (*tmpptr).sortlast = (*tmpptr).pred; tmpptr = (*tmpptr).succ; } while (xchange > 0) { curr = *sortlist; xchange = 0; if (curr == NULL) fprintf(stderr, "Grrrrrrrrr>>>>\n"); while((*curr).sortnext != NULL) { next = (*curr).sortnext; if ((*curr).count >= (*next).count) curr = (*curr).sortnext; else { if ((*curr).sortlast != NULL) (*((*curr).sortlast)).sortnext = next; if (*sortlist == curr) *sortlist = next; (*next).sortlast = (*curr).sortlast; if ((*next).sortnext != NULL) (*((*next).sortnext)).sortlast = curr; (*curr).sortnext = (*next).sortnext; (*curr).sortlast = next; (*next).sortnext = curr; xchange++; } } } } /* sortbynum */ /**********/ /* print puzzling step tree structures for checking */ void printfpstrees(treelistitemtype *list) { char ch; treelistitemtype *tmpptr = NULL; tmpptr = list; ch = '-'; while (tmpptr != NULL) { printf ("%c[%2d] %5d %s\n", ch, (*tmpptr).idx, (*tmpptr).count, (*tmpptr).tree); tmpptr = (*tmpptr).succ; ch = ' '; } } /**********/ /* print sorted puzzling step tree structure with names */ void fprintffullpstree(FILE *outf, char *treestr) { int count = 0; int idnum = 0; int n; for(n=0; treestr[n] != '\0'; n++){ while(isdigit((int)treestr[n])){ idnum = (10 * idnum) + ((int)treestr[n]-48); n++; count++; } if (count > 0){ # ifdef USEQUOTES fprintf(outf, "'"); # endif (void)fputid(outf, idnum); # ifdef USEQUOTES fprintf(outf, "'"); # endif count = 0; idnum = 0; } fprintf(outf, "%c", treestr[n]); } } /**********/ /* print sorted puzzling step tree structures with names */ void fprintfsortedpstrees(FILE *output, treelistitemtype *list, /* tree list */ int itemnum, /* order number */ int itemsum, /* number of trees */ int comment, /* with statistics, or puzzle report ? */ float cutoff) /* cutoff percentage */ { treelistitemtype *tmpptr = NULL; treelistitemtype *slist = NULL; int num = 1; float percent; if (list == NULL) fprintf(stderr, "Grrrrrrrrr>>>>\n"); sortbynum(list, &slist); tmpptr = slist; while (tmpptr != NULL) { percent = (float)(100.0 * (*tmpptr).count / itemsum); if ((cutoff == 0.0) || (cutoff <= percent)) { if (comment) fprintf (output, "[ %d. %d %.2f %d %d %d ]", num++, (*tmpptr).count, percent, (*tmpptr).id, itemnum, itemsum); else { if (num == 1){ fprintf (output, "\n"); fprintf (output, "The following tree(s) occured in more than %.2f%% of the %d puzzling steps.\n", cutoff, itemsum); fprintf (output, "The trees are orderd descending by the number of occurrences.\n"); fprintf (output, "\n"); fprintf (output, "\n occurrences ID Phylip tree\n"); } fprintf (output, "%2d. %5d %6.2f%% %5d ", num++, (*tmpptr).count, percent, (*tmpptr).id); } fprintffullpstree(output, (*tmpptr).tree); fprintf (output, "\n"); } tmpptr = (*tmpptr).sortnext; } if (!comment) { fprintf (output, "\n"); switch(num) { case 1: fprintf (output, "There were no tree topologies (out of %d) occuring with a percentage >= %.2f%% of the %d puzzling steps.\n", itemnum, cutoff, itemsum); break; case 2: fprintf (output, "There was one tree topology (out of %d) occuring with a percentage >= %.2f%%.\n", itemnum, cutoff); break; default: fprintf (output, "There were %d tree topologies (out of %d) occuring with a percentage >= %.2f%%.\n", num-1, itemnum, cutoff); break; } fprintf (output, "\n"); fprintf (output, "\n"); } } /* fprintfsortedpstrees */ /**********/ /* print sorted tree topologies for checking */ void printfsortedpstrees(treelistitemtype *list) { treelistitemtype *tmpptr = NULL; treelistitemtype *slist = NULL; sortbynum(list, &slist); tmpptr = slist; while (tmpptr != NULL) { printf ("[%2d] %5d %s\n", (*tmpptr).idx, (*tmpptr).count, (*tmpptr).tree); tmpptr = (*tmpptr).sortnext; } } /* printfsortedpstrees */ /*******************************************/ /* end of tree sorting */ /*******************************************/ /******************************************************************************/ /* functions for computing the consensus tree */ /******************************************************************************/ /* prepare for consensus tree analysis */ void initconsensus() { # if ! PARALLEL biparts = new_cmatrix(Maxspc-3, Maxspc); # endif /* PARALLEL */ if (Maxspc % 32 == 0) splitlength = Maxspc/32; else splitlength = (Maxspc + 32 - (Maxspc % 32))/32; numbiparts = 0; /* no pattern stored so far */ maxbiparts = 0; /* no memory reserved so far */ splitfreqs = NULL; splitpatterns = NULL; splitsizes = NULL; splitcomp = (uli *) malloc(splitlength * sizeof(uli) ); if (splitcomp == NULL) maerror("splitcomp in initconsensus"); } /* prototype needed for recursive function */ void makepart(int i, int curribrnch); /* recursive function to get bipartitions */ void makepart(int i, int curribrnch) { int j; if ( edge[i].downright == NULL || edge[i].downleft == NULL) { /* if i is leaf */ /* check out what leaf j sits on this edge i */ for (j = 1; j < Maxspc; j++) { if (edgeofleaf[j] == i) { biparts[curribrnch][trueID[j]] = '*'; return; } } } else { /* still on inner branch */ makepart(edge[i].downleft->numedge, curribrnch); makepart(edge[i].downright->numedge, curribrnch); } } /* compute bipartitions of tree of current puzzling step */ void computebiparts() { int i, j, curribrnch; curribrnch = -1; for (i = 0; i < Maxspc - 3; i++) for (j = 0; j < Maxspc; j++) biparts[i][j] = '.'; for (i = 0; i < Maxbrnch; i++) { if (!( edgeofleaf[0] == i || edge[i].downright == NULL || edge[i].downleft == NULL) ) { /* check all inner branches */ curribrnch++; makepart(i, curribrnch); /* make sure that the root is always a '*' */ if (biparts[curribrnch][outgroup] == '.') { for (j = 0; j < Maxspc; j++) { if (biparts[curribrnch][j] == '.') biparts[curribrnch][j] = '*'; else biparts[curribrnch][j] = '.'; } } } } } /* print out the bipartition n of all different splitpatterns */ void printsplit(FILE *fp, uli n) { int i, j, col; uli z; col = 0; for (i = 0; i < splitlength; i++) { z = splitpatterns[n*splitlength + i]; for (j = 0; j < 32 && col < Maxspc; j++) { if (col % 10 == 0 && col != 0) fprintf(fp, " "); if (z & 1) fprintf(fp, "."); else fprintf(fp, "*"); z = (z >> 1); col++; } } } /* make new entries for new different bipartitions and count frequencies */ void makenewsplitentries() { int i, j, bpc, identical, idflag, bpsize; uli nextentry, obpc; /* where the next entry would be in splitpatterns */ nextentry = numbiparts; for (bpc = 0; bpc < Maxspc - 3; bpc++) { /* for every new bipartition */ /* convert bipartition into a more compact format */ bpsize = 0; for (i = 0; i < splitlength; i++) { splitcomp[i] = 0; for (j = 0; j < 32; j++) { splitcomp[i] = splitcomp[i] >> 1; if (i*32 + j < Maxspc) if (biparts[bpc][i*32 + j] == '.') { /* set highest bit */ splitcomp[i] = (splitcomp[i] | 2147483648UL); bpsize++; /* count the '.' */ } } } /* compare to the *old* patterns */ identical = FALSE; for (obpc = 0; (obpc < numbiparts) && (!identical); obpc++) { /* compare first partition size */ if (splitsizes[obpc] == bpsize) idflag = TRUE; else idflag = FALSE; /* if size is identical compare whole partition */ for (i = 0; (i < splitlength) && idflag; i++) if (splitcomp[i] != splitpatterns[obpc*splitlength + i]) idflag = FALSE; if (idflag) identical = TRUE; } if (identical) { /* if identical increase frequency */ splitfreqs[2*(obpc-1)]++; } else { /* create new entry */ if (nextentry == maxbiparts) { /* reserve more memory */ maxbiparts = maxbiparts + 2*Maxspc; splitfreqs = (uli *) myrealloc(splitfreqs, 2*maxbiparts * sizeof(uli) ); /* 2x: splitfreqs contains also an index (sorting!) */ if (splitfreqs == NULL) maerror("splitfreqs in makenewsplitentries"); splitpatterns = (uli *) myrealloc(splitpatterns, splitlength*maxbiparts * sizeof(uli) ); if (splitpatterns == NULL) maerror("splitpatterns in makenewsplitentries"); splitsizes = (int *) myrealloc(splitsizes, maxbiparts * sizeof(int) ); if (splitsizes == NULL) maerror("splitsizes in makenewsplitentries"); } splitfreqs[2*nextentry] = 1; /* frequency */ splitfreqs[2*nextentry+1] = nextentry; /* index for sorting */ for (i = 0; i < splitlength; i++) splitpatterns[nextentry*splitlength + i] = splitcomp[i]; splitsizes[nextentry] = bpsize; nextentry++; } } numbiparts = nextentry; } /* general remarks: - every entry in consbiparts is one node of the consensus tree - for each node one has to know which taxa and which other nodes are *directly* descending from it - for every taxon/node number there is a flag that shows whether it descends from the node or not - '0' means that neither a taxon nor another node with the corresponding number decends from the node '1' means that the corresponding taxon descends from the node '2' means that the corresponding node descends from the node '3' means that the corresponding taxon and node descends from the node */ /* copy bipartition n of all different splitpatterns to consbiparts[k] */ void copysplit(uli n, int k) { int i, j, col; uli z; col = 0; for (i = 0; i < splitlength; i++) { z = splitpatterns[n*splitlength + i]; for (j = 0; j < 32 && col < Maxspc; j++) { if (z & 1) consbiparts[k][col] = '1'; else consbiparts[k][col] = '0'; z = (z >> 1); col++; } } } /* compute majority rule consensus tree */ void makeconsensus() { int i, j, k, size, subnode; char chari, charj; /* sort bipartition frequencies */ qsort(splitfreqs, numbiparts, 2*sizeof(uli), ulicmp); /* how many bipartitions are included in the consensus tree */ consincluded = 0; for (i = 0; i < numbiparts && i == consincluded; i++) { if (2*splitfreqs[2*i] > Numtrial) consincluded = i + 1; } /* collect all info about majority rule consensus tree */ /* the +1 is due to the edge with the root */ consconfid = new_ivector(consincluded + 1); conssizes = new_ivector(2*consincluded + 2); consbiparts = new_cmatrix(consincluded + 1, Maxspc); for (i = 0; i < consincluded; i++) { /* copy partition to consbiparts */ copysplit(splitfreqs[2*i+1], i); /* frequency in percent (rounded to integer) */ consconfid[i] = (int) floor(100.0*splitfreqs[2*i]/Numtrial + 0.5); /* size of partition */ conssizes[2*i] = splitsizes[splitfreqs[2*i+1]]; conssizes[2*i+1] = i; } for (i = 0; i < Maxspc; i++) consbiparts[consincluded][i] = '1'; consbiparts[consincluded][outgroup] = '0'; consconfid[consincluded] = 100; conssizes[2*consincluded] = Maxspc - 1; conssizes[2*consincluded + 1] = consincluded; /* sort bipartitions according to cluster size */ qsort(conssizes, consincluded + 1, 2*sizeof(int), intcmp); /* reconstruct consensus tree */ for (i = 0; i < consincluded; i++) { /* try every node */ size = conssizes[2*i]; /* size of current node */ for (j = i + 1; j < consincluded + 1; j++) { /* compare only with nodes with more descendants */ if (size == conssizes[2*j]) continue; /* check whether node i is a subnode of j */ subnode = FALSE; for (k = 0; k < Maxspc && !subnode; k++) { chari = consbiparts[ conssizes[2*i+1] ][k]; if (chari != '0') { charj = consbiparts[ conssizes[2*j+1] ][k]; if (chari == charj || charj == '3') subnode = TRUE; } } /* if i is a subnode of j change j accordingly */ if (subnode) { /* remove subnode i from j */ for (k = 0; k < Maxspc; k++) { chari = consbiparts[ conssizes[2*i+1] ][k]; if (chari != '0') { charj = consbiparts[ conssizes[2*j+1] ][k]; if (chari == charj) consbiparts[ conssizes[2*j+1] ][k] = '0'; else if (charj == '3') { if (chari == '1') consbiparts[ conssizes[2*j+1] ][k] = '2'; else if (chari == '2') consbiparts[ conssizes[2*j+1] ][k] = '1'; else { /* Consensus tree [1] */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR H TO DEVELOPERS\n\n\n"); exit(1); } } else { /* Consensus tree [2] */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR I TO DEVELOPERS\n\n\n"); exit(1); } } } /* add link to subnode i in node j */ charj = consbiparts[ conssizes[2*j+1] ][ conssizes[2*i+1] ]; if (charj == '0') consbiparts[ conssizes[2*j+1] ][ conssizes[2*i+1] ] = '2'; else if (charj == '1') consbiparts[ conssizes[2*j+1] ][ conssizes[2*i+1] ] = '3'; else { /* Consensus tree [3] */ FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR J TO DEVELOPERS\n\n\n"); exit(1); } } } } } /* prototype for recursion */ void writenode(FILE *treefile, int node); /* write node (writeconsensustree) */ void writenode(FILE *treefile, int node) { int i, first; fprintf(treefile, "("); column++; /* write descending nodes */ first = TRUE; for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '2' || consbiparts[node][i] == '3') { if (first) first = FALSE; else { fprintf(treefile, ","); column++; } if (column > 60) { column = 2; fprintf(treefile, "\n"); } /* write node i */ writenode(treefile, i); /* reliability value as internal label */ fprintf(treefile, "%d", consconfid[i]); column = column + 3; } } /* write descending taxa */ for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '1' || consbiparts[node][i] == '3') { if (first) first = FALSE; else { fprintf(treefile, ","); column++; } if (column > 60) { column = 2; fprintf(treefile, "\n"); } column += fputid(treefile, i); } } fprintf(treefile, ")"); column++; } /* write consensus tree */ void writeconsensustree(FILE *treefile) { int i, first; column = 1; fprintf(treefile, "("); column += fputid(treefile, outgroup) + 2; fprintf(treefile, ","); /* write descending nodes */ first = TRUE; for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '2' || consbiparts[consincluded][i] == '3') { if (first) first = FALSE; else { fprintf(treefile, ","); column++; } if (column > 60) { column = 2; fprintf(treefile, "\n"); } /* write node i */ writenode(treefile, i); /* reliability value as internal label */ fprintf(treefile, "%d", consconfid[i]); column = column + 3; } } /* write descending taxa */ for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '1' || consbiparts[consincluded][i] == '3') { if (first) first = FALSE; else { fprintf(treefile, ","); column++; } if (column > 60) { column = 2; fprintf(treefile, "\n"); } column += fputid(treefile, i); } } fprintf(treefile, ");\n"); } /* prototype for recursion */ void nodecoordinates(int node); /* establish node coordinates (plotconsensustree) */ void nodecoordinates(int node) { int i, ymin, ymax, xcoordinate; /* first establish coordinates of descending nodes */ for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '2' || consbiparts[node][i] == '3') nodecoordinates(i); } /* then establish coordinates of descending taxa */ for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '1' || consbiparts[node][i] == '3') { /* y-coordinate of taxon i */ ycortax[i] = ytaxcounter; ytaxcounter = ytaxcounter - 2; } } /* then establish coordinates of this node */ ymin = 2*Maxspc - 2; ymax = 0; xcoordinate = 0; for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '2' || consbiparts[node][i] == '3') { if (ycor[i] > ymax) ymax = ycor[i]; if (ycor[i] < ymin) ymin = ycor[i]; if (xcor[i] > xcoordinate) xcoordinate = xcor[i]; } } for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '1' || consbiparts[node][i] == '3') { if (ycortax[i] > ymax) ymax = ycortax[i]; if (ycortax[i] < ymin) ymin = ycortax[i]; } } ycormax[node] = ymax; ycormin[node] = ymin; ycor[node] = (int) floor(0.5*(ymax + ymin) + 0.5); if (xcoordinate == 0) xcoordinate = 9; xcor[node] = xcoordinate + 4; } /* prototype for recursion */ void drawnode(int node, int xold); /* drawnode (plotconsensustree) */ void drawnode(int node, int xold) { int i, j; char buf[4]; /* first draw vertical line */ for (i = ycormin[node] + 1; i < ycormax[node]; i++) treepict[xcor[node]][i] = ':'; /* then draw descending nodes */ for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '2' || consbiparts[node][i] == '3') drawnode(i, xcor[node]); } /* then draw descending taxa */ for (i = 0; i < Maxspc; i++) { if (consbiparts[node][i] == '1' || consbiparts[node][i] == '3') { treepict[xcor[node]][ycortax[i]] = ':'; for (j = xcor[node] + 1; j < xsize-10; j++) treepict[j][ycortax[i]] = '-'; for (j = 0; j < 10; j++) treepict[xsize-10+j][ycortax[i]] = Identif[i][j]; } } /* then draw internal edge with consensus value */ treepict[xold][ycor[node]] = ':'; treepict[xcor[node]][ycor[node]] = ':'; for (i = xold + 1; i < xcor[node]-3; i++) treepict[i][ycor[node]] = '-'; sprintf(buf, "%d", consconfid[node]); if (consconfid[node] == 100) { treepict[xcor[node]-3][ycor[node]] = buf[0]; treepict[xcor[node]-2][ycor[node]] = buf[1]; treepict[xcor[node]-1][ycor[node]] = buf[2]; } else { treepict[xcor[node]-3][ycor[node]] = '-'; treepict[xcor[node]-2][ycor[node]] = buf[0]; treepict[xcor[node]-1][ycor[node]] = buf[1]; } } /* plot consensus tree */ void plotconsensustree(FILE *plotfp) { int i, j, yroot, startree; /* star tree or no star tree */ if (consincluded == 0) { startree = TRUE; consincluded = 1; /* avoids problems with malloc */ } else startree = FALSE; /* memory for x-y-coordinates of each bipartition */ xcor = new_ivector(consincluded); ycor = new_ivector(consincluded); ycormax = new_ivector(consincluded); ycormin = new_ivector(consincluded); if (startree) consincluded = 0; /* avoids problems with malloc */ /* y-coordinates of each taxon */ ycortax = new_ivector(Maxspc); ycortax[outgroup] = 0; /* establish coordinates */ ytaxcounter = 2*Maxspc - 2; /* first establish coordinates of descending nodes */ for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '2' || consbiparts[consincluded][i] == '3') nodecoordinates(i); } /* then establish coordinates of descending taxa */ for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '1' || consbiparts[consincluded][i] == '3') { /* y-coordinate of taxon i */ ycortax[i] = ytaxcounter; ytaxcounter = ytaxcounter - 2; } } /* then establish length of root edge and size of whole tree */ yroot = 0; xsize = 0; for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '2' || consbiparts[consincluded][i] == '3') { if (ycor[i] > yroot) yroot = ycor[i]; if (xcor[i] > xsize) xsize = xcor[i]; } } for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '1' || consbiparts[consincluded][i] == '3') { if (ycortax[i] > yroot) yroot = ycortax[i]; } } if (xsize == 0) xsize = 9; /* size in x direction inclusive one blank on the left */ xsize = xsize + 6; /* change all x-labels so that (0,0) is down-left */ for (i = 0; i < consincluded; i++) xcor[i] = xsize-1-xcor[i]; /* draw tree */ treepict = new_cmatrix(xsize, 2*Maxspc-1); for (i = 0; i < xsize; i++) for (j = 0; j < 2*Maxspc-1; j++) treepict[i][j] = ' '; /* draw root */ for (i = 1; i < yroot; i++) treepict[1][i] = ':'; treepict[1][0] = ':'; for (i = 2; i < xsize - 10; i++) treepict[i][0] = '-'; for (i = 0; i < 10; i++) treepict[xsize-10+i][0] = Identif[outgroup][i]; /* then draw descending nodes */ for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '2' || consbiparts[consincluded][i] == '3') drawnode(i, 1); } /* then draw descending taxa */ for (i = 0; i < Maxspc; i++) { if (consbiparts[consincluded][i] == '1' || consbiparts[consincluded][i] == '3') { treepict[1][ycortax[i]] = ':'; for (j = 2; j < xsize-10; j++) treepict[j][ycortax[i]] = '-'; for (j = 0; j < 10; j++) treepict[xsize-10+j][ycortax[i]] = Identif[i][j]; } } /* plot tree */ for (i = 2*Maxspc-2; i > -1; i--) { for (j = 0; j < xsize; j++) fputc(treepict[j][i], plotfp); fputc('\n', plotfp); } free_ivector(xcor); free_ivector(ycor); free_ivector(ycormax); free_ivector(ycormin); free_ivector(ycortax); free_cmatrix(treepict); } /******************************************************************************/ /* storing and evaluating quartet branching information */ /******************************************************************************/ /* general remarks: for a quartet with the taxa a, b, c, d there are three possible binary trees: 1) (a,b)-(c,d) 2) (a,c)-(b,d) 3) (a,d)-(b,c) For every quartet information about its branching structure is stored. With the functions readquartet and writequartet this information can be accessed. For every quartet (a,b,c,d) with a < b < c < d (taxa) the branching information is encoded using 4 bits: value 8 4 2 1 +-------------+-------------+-------------+-------------+ | not used | tree 3 | tree 2 | tree 1 | +-------------+-------------+-------------+-------------+ If the branching structure of the taxa corresponds to one of the three trees the corresponding bit is set. If the branching structure is unclear because two of the three trees have the same maximum likelihood value the corresponding two bits are set. If the branching structure is completely unknown all the bits are set (the highest bit is always cleared because it is not used). */ /* allocate memory for quartets */ unsigned char *mallocquartets(int taxa) { uli nc, numch; unsigned char *qinfo; /* compute number of quartets */ Numquartets = (uli) taxa*(taxa-1)*(taxa-2)*(taxa-3)/24; if (Numquartets % 2 == 0) { /* even number */ numch = Numquartets/2; } else { /* odd number */ numch = (Numquartets + 1)/2; } /* allocate memory */ qinfo = (unsigned char *) malloc(numch * sizeof(unsigned char) ); if (qinfo == NULL) maerror("quartetinfo in mallocquartets"); for (nc = 0; nc < numch; nc++) qinfo[nc] = 0; return(qinfo); } /* free quartet memory */ void freequartets() { free(quartetinfo); } /* read quartet info - a < b < c < d */ unsigned char readquartet(int a, int b, int c, int d) { uli qnum; qnum = (uli) a + (uli) b*(b-1)/2 + (uli) c*(c-1)*(c-2)/6 + (uli) d*(d-1)*(d-2)*(d-3)/24; if (qnum % 2 == 0) { /* even number */ /* bits 0 to 3 */ return (quartetinfo[qnum/2] & (unsigned char) 15); } else { /* odd number */ /* bits 4 to 7 */ return ((quartetinfo[(qnum-1)/2] & (unsigned char) 240)>>4); } } /* write quartet info - a < b < c < d, 0 <= info <= 15 */ void writequartet(int a, int b, int c, int d, unsigned char info) { uli qnum; qnum = (uli) a + (uli) b*(b-1)/2 + (uli) c*(c-1)*(c-2)/6 + (uli) d*(d-1)*(d-2)*(d-3)/24; if (qnum % 2 == 0) { /* even number */ /* bits 0 to 3 */ quartetinfo[qnum/2] = ((quartetinfo[qnum/2] & (unsigned char) 240) | (info & (unsigned char) 15)); } else { /* odd number */ /* bits 4 to 7 */ quartetinfo[(qnum-1)/2] = ((quartetinfo[(qnum-1)/2] & (unsigned char) 15) | ((info & (unsigned char) 15)<<4)); } } /* prototypes */ void openfiletowrite(FILE **, char[], char[]); void closefile(FILE *); /* sorts three doubles in descending order */ void sort3doubles(dvector num, ivector order) { if (num[0] > num[1]) { if(num[2] > num[0]) { order[0] = 2; order[1] = 0; order[2] = 1; } else if (num[2] < num[1]) { order[0] = 0; order[1] = 1; order[2] = 2; } else { order[0] = 0; order[1] = 2; order[2] = 1; } } else { if(num[2] > num[1]) { order[0] = 2; order[1] = 1; order[2] = 0; } else if (num[2] < num[0]) { order[0] = 1; order[1] = 0; order[2] = 2; } else { order[0] = 1; order[1] = 2; order[2] = 0; } } } /* checks out all possible quartets */ void computeallquartets() { double onethird; uli nq; unsigned char treebits[3]; FILE *lhfp; # if ! PARALLEL int a, b, c, i; double qc2, mintogo, minutes, hours, temp; double temp1, temp2, temp3; unsigned char discreteweight[3]; # endif onethird = 1.0/3.0; treebits[0] = (unsigned char) 1; treebits[1] = (unsigned char) 2; treebits[2] = (unsigned char) 4; if (show_optn) { /* list all unresolved quartets */ openfiletowrite(&unresfp, UNRESOLVED, "unresolved quartet trees"); fprintf(unresfp, "List of all completely unresolved quartets:\n\n"); } nq = 0; badqs = 0; /* start timer - percentage of completed quartets */ time(&time0); time1 = time0; mflag = 0; # if PARALLEL { schedtype sched; int flag; MPI_Status stat; int dest = 1; uli qaddr =0; uli qamount=0; int qblocksent = 0; int apr; uli sq, noq; initsched(&sched, numquarts(Maxspc), PP_NumProcs-1, 4); qamount=sgss(&sched); while (qamount > 0) { if (PP_emptyslave()) { PP_RecvQuartBlock(0, &sq, &noq, quartetinfo, &apr); qblocksent -= noq; } dest = PP_getslave(); PP_SendDoQuartBlock(dest, qaddr, qamount, (approxqp ? APPROX : EXACT)); qblocksent += qamount; qaddr += qamount; qamount=sgss(&sched); MPI_Iprobe(MPI_ANY_SOURCE, PP_QUARTBLOCKSPECS, PP_Comm, &flag, &stat); while (flag) { PP_RecvQuartBlock(0, &sq, &noq, quartetinfo, &apr); qblocksent -= noq; MPI_Iprobe(MPI_ANY_SOURCE, PP_QUARTBLOCKSPECS, PP_Comm, &flag, &stat); } } while (qblocksent > 0) { PP_RecvQuartBlock(0, &sq, &noq, quartetinfo, &apr); qblocksent -= noq; } } # else /* PARALLEL */ addtimes(GENERAL, &tarr); if (savequartlh_optn) { openfiletowrite(&lhfp, ALLQUARTLH, "all quartet likelihoods"); if (saveqlhbin_optn) writetpqfheader(Maxspc, lhfp, 3); else writetpqfheader(Maxspc, lhfp, 4); } for (i = 3; i < Maxspc; i++) for (c = 2; c < i; c++) for (b = 1; b < c; b++) for (a = 0; a < b; a++) { nq++; /* generate message every 15 minutes */ /* check timer */ time(&time2); if ( (time2 - time1) > 900) { /* every 900 seconds */ /* percentage of completed quartets */ if (mflag == 0) { FPRINTF(STDOUTFILE "\n"); mflag = 1; } qc2 = 100.*nq/Numquartets; mintogo = (100.0-qc2) * (double) (time2-time0)/60.0/qc2; hours = floor(mintogo/60.0); minutes = mintogo - 60.0*hours; FPRINTF(STDOUTFILE "%.2f%%", qc2); FPRINTF(STDOUTFILE " completed (remaining"); FPRINTF(STDOUTFILE " time: %.0f", hours); FPRINTF(STDOUTFILE " hours %.0f", minutes); FPRINTF(STDOUTFILE " minutes)\n"); fflush(STDOUT); time1 = time2; } /* maximum likelihood values */ /* exact or approximate maximum likelihood values */ compute_quartlklhds(a,b,c,i,&qweight[0],&qweight[1],&qweight[2], (approxqp ? APPROX : EXACT)); if (savequartlh_optn) { if (saveqlhbin_optn) fwrite(qweight, sizeof(double), 3, lhfp); else fprintf(lhfp, "(%d,%d,%d,%d)\t%f\t%f\t%f\n", a, b, c, i, qweight[0], qweight[1], qweight[2]); } /* sort in descending order */ sort3doubles(qweight, qworder); if (usebestq_optn) { sqorder[2] = 2; discreteweight[sqorder[2]] = treebits[qworder[0]]; if (qweight[qworder[0]] == qweight[qworder[1]]) { discreteweight[sqorder[2]] = discreteweight[sqorder[2]] || treebits[qworder[1]]; if (qweight[qworder[1]] == qweight[qworder[2]]) { discreteweight[sqorder[2]] = discreteweight[sqorder[2]] || treebits[qworder[2]]; discreteweight[sqorder[2]] = 7; } } } else { /* compute Bayesian weights */ qweight[qworder[1]] = exp(qweight[qworder[1]]-qweight[qworder[0]]); qweight[qworder[2]] = exp(qweight[qworder[2]]-qweight[qworder[0]]); qweight[qworder[0]] = 1.0; temp = qweight[0] + qweight[1] + qweight[2]; qweight[0] = qweight[0]/temp; qweight[1] = qweight[1]/temp; qweight[2] = qweight[2]/temp; /* square deviations */ temp1 = 1.0 - qweight[qworder[0]]; sqdiff[0] = temp1 * temp1 + qweight[qworder[1]] * qweight[qworder[1]] + qweight[qworder[2]] * qweight[qworder[2]]; discreteweight[0] = treebits[qworder[0]]; temp1 = 0.5 - qweight[qworder[0]]; temp2 = 0.5 - qweight[qworder[1]]; sqdiff[1] = temp1 * temp1 + temp2 * temp2 + qweight[qworder[2]] * qweight[qworder[2]]; discreteweight[1] = treebits[qworder[0]] + treebits[qworder[1]]; temp1 = onethird - qweight[qworder[0]]; temp2 = onethird - qweight[qworder[1]]; temp3 = onethird - qweight[qworder[2]]; sqdiff[2] = temp1 * temp1 + temp2 * temp2 + temp3 * temp3; discreteweight[2] = (unsigned char) 7; /* sort in descending order */ sort3doubles(sqdiff, sqorder); } /* determine best discrete weight */ writequartet(a, b, c, i, discreteweight[sqorder[2]]); /* counting completely unresolved quartets */ if (discreteweight[sqorder[2]] == 7) { badqs++; badtaxon[a]++; badtaxon[b]++; badtaxon[c]++; badtaxon[i]++; if (show_optn) { fputid10(unresfp, a); fprintf(unresfp, " "); fputid10(unresfp, b); fprintf(unresfp, " "); fputid10(unresfp, c); fprintf(unresfp, " "); fputid(unresfp, i); fprintf(unresfp, "\n"); } } addtimes(QUARTETS, &tarr); } if (savequartlh_optn) { closefile(lhfp); } if (show_optn) closefile(unresfp); if (mflag == 1) FPRINTF(STDOUTFILE "\n"); # endif /* PARALLEL */ } /* check the branching structure between the leaves (not the taxa!) A, B, C, and I (A, B, C, I don't need to be ordered). As a result, the two leaves that are closer related to each other than to leaf I are found in chooseA and chooseB. If the branching structure is not uniquely defined, ChooseA and ChooseB are chosen randomly from the possible taxa */ void checkquartet(int A, int B, int C, int I) { int i, j, a, b, taxon[5], leaf[5], ipos; unsigned char qresult; int notunique = FALSE; /* The relationship between leaves and taxa is defined by trueID */ taxon[1] = trueID[A]; /* taxon number */ leaf[1] = A; /* leaf number */ taxon[2] = trueID[B]; leaf[2] = B; taxon[3] = trueID[C]; leaf[3] = C; taxon[4] = trueID[I]; leaf[4] = I; /* sort for taxa */ /* Source: Numerical Recipes (PIKSR2.C) */ for (j = 2; j <= 4; j++) { a = taxon[j]; b = leaf[j]; i = j-1; while (i > 0 && taxon[i] > a) { taxon[i+1] = taxon[i]; leaf[i+1] = leaf[i]; i--; } taxon[i+1] = a; leaf[i+1] = b; } /* where is leaf I ? */ ipos = 1; while (leaf[ipos] != I) ipos++; /* look at sequence quartet */ qresult = readquartet(taxon[1], taxon[2], taxon[3], taxon[4]); /* chooseA and chooseB */ do { switch (qresult) { /* one single branching structure */ /* 001 */ case 1: if (ipos == 1 || ipos == 2) { chooseA = leaf[3]; chooseB = leaf[4]; } else { chooseA = leaf[1]; chooseB = leaf[2]; } notunique = FALSE; break; /* 010 */ case 2: if (ipos == 1 || ipos == 3) { chooseA = leaf[2]; chooseB = leaf[4]; } else { chooseA = leaf[1]; chooseB = leaf[3]; } notunique = FALSE; break; /* 100 */ case 4: if (ipos == 1 || ipos == 4) { chooseA = leaf[2]; chooseB = leaf[3]; } else { chooseA = leaf[1]; chooseB = leaf[4]; } notunique = FALSE; break; /* two possible branching structures */ /* 011 */ case 3: if (randominteger(2)) qresult = 1; else qresult = 2; notunique = TRUE; break; /* 101 */ case 5: if (randominteger(2)) qresult = 1; else qresult = 4; notunique = TRUE; break; /* 110 */ case 6: if (randominteger(2)) qresult = 2; else qresult = 4; notunique = TRUE; break; /* three possible branching structures */ /* 111 */ case 7: qresult = (1 << randominteger(3)); /* 1, 2, or 4 */ notunique = TRUE; break; default: /* Program error [checkquartet] */ #if PARALLEL FPRINTF(STDOUTFILE "\n\n\n(%2d)HALT: PLEASE REPORT ERROR K-PARALLEL TO DEVELOPERS (%d,%d,%d,%d) = %ld\n\n\n", PP_Myid, taxon[1], taxon[2], taxon[3], taxon[4], quart2num(taxon[1], taxon[2], taxon[3], taxon[4])); #else FPRINTF(STDOUTFILE "\n\n\nHALT: PLEASE REPORT ERROR K TO DEVELOPERS\n\n\n"); #endif } } while (notunique); return; } ./arbsrc_9167/GDE/TREEPUZZLE/src/puzzle.h0000644012664100000130000004134611213220011017527 0ustar arb_buildcoders/* * puzzle.h * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #ifndef _PUZZLE_ #define _PUZZLE_ #ifndef PACKAGE # define PACKAGE "tree-puzzle" #endif #ifndef VERSION # define VERSION "5.0" #endif #define DATE "October 2000" /* prototypes */ #include #include #include #include #include #include #include #include #include "util.h" #include "ml.h" #ifdef PARALLEL # include "ppuzzle.h" #endif #define STDOUT stdout #ifndef PARALLEL /* because printf() runs significantly faster */ /* than fprintf(stdout) on an Apple McIntosh */ /* (HS) */ # define FPRINTF printf # define STDOUTFILE #else # define FPRINTF fprintf # define STDOUTFILE STDOUT, #endif /* filenames */ # define FILENAMELENTH 2048 # define INFILEDEFAULT "infile" # define OUTFILEDEFAULT "outfile" # define TREEFILEDEFAULT "outtree" # define INTREEDEFAULT "intree" # define DISTANCESDEFAULT "outdist" # define TRIANGLEDEFAULT "outlm.eps" # define UNRESOLVEDDEFAULT "outqlist" # define ALLQUARTDEFAULT "outallquart" # define ALLQUARTLHDEFAULT "outallquartlh" # define OUTPTLISTDEFAULT "outpstep" # define OUTPTORDERDEFAULT "outptorder" # define INFILE infilename # define OUTFILE outfilename # define TREEFILE outtreename # define INTREE intreename # define DISTANCES outdistname # define TRIANGLE outlmname # define UNRESOLVED outqlistname # define ALLQUART outallquartname # define ALLQUARTLH outallquartlhname # define OUTPTLIST outpstepname # define OUTPTORDER outptordername EXTERN char infilename [FILENAMELENTH]; EXTERN char outfilename [FILENAMELENTH]; EXTERN char outtreename [FILENAMELENTH]; EXTERN char intreename [FILENAMELENTH]; EXTERN char outdistname [FILENAMELENTH]; EXTERN char outlmname [FILENAMELENTH]; EXTERN char outqlistname [FILENAMELENTH]; EXTERN char outallquartname [FILENAMELENTH]; EXTERN char outallquartlhname [FILENAMELENTH]; EXTERN char outpstepname [FILENAMELENTH]; EXTERN char outptordername [FILENAMELENTH]; #define OUTFILEEXT "puzzle" #define TREEFILEEXT "tree" #define DISTANCESEXT "dist" #define TRIANGLEEXT "eps" #define UNRESOLVEDEXT "qlist" #define ALLQUARTEXT "allquart" #define ALLQUARTLHEXT "allquartlh" #define OUTPTLISTEXT "pstep" #define OUTPTORDEREXT "ptorder" #ifndef PARALLEL /* because printf() runs significantly faster */ /* than fprintf(stdout) on an Apple McIntosh */ /* (HS) */ # define FPRINTF printf # define STDOUTFILE #else # define FPRINTF fprintf # define STDOUT stdout # define STDOUTFILE STDOUT, #endif /* auto_aamodel/auto_datatype values (xxx) */ #define AUTO_OFF 0 #define AUTO_GUESS 1 #define AUTO_DEFAULT 2 /* qptlist values (xxx) */ #define PSTOUT_NONE 0 #define PSTOUT_ORDER 1 #define PSTOUT_LISTORDER 2 #define PSTOUT_LIST 3 /* dtat_optn values (xxx) */ #define NUCLEOTIDE 0 #define AMINOACID 1 #define BINARY 2 /* typ_optn values (xxx) */ #define LIKMAPING_OPTN 1 #define TREERECON_OPTN 0 /* puzzlemodes (xxx) */ #define QUARTPUZ 0 #define USERTREE 1 #define PAIRDIST 2 /* rhetmodes (xxx) Modes of rate heterogeneity */ #define UNIFORMRATE 0 #define GAMMARATE 1 #define TWORATE 2 #define MIXEDRATE 3 /* defines for types of quartet likelihood computation (xxx) */ #define EXACT 0 #define APPROX 1 /* tree structure */ typedef struct oneedge { /* pointer to other three edges */ struct oneedge *up; struct oneedge *downleft; struct oneedge *downright; int numedge; /* number of edge */ uli edgeinfo; /* value of this edge */ int *edgemap; /* pointer to the local edgemap */ } ONEEDGE; /* variables */ EXTERN cmatrix biparts; /* bipartitions of tree of current puzzling step */ EXTERN cmatrix consbiparts; /* bipartitions of majority rule consensus tree */ EXTERN cmatrix seqchars; /* characters contained in data set */ EXTERN cmatrix treepict; /* picture of consensus tree */ EXTERN double minscore; /* value of edgescore on minedge */ EXTERN double tstvf84; /* F84 transition/transversion ratio */ EXTERN double tstvratio; /* expected transition/transversion ratio */ EXTERN double yrtsratio; /* expected pyrimidine/purine transition ratio */ EXTERN dvector ulkl; /* log L of user trees */ EXTERN dmatrix allsites; /* log L per sites of user trees */ EXTERN dvector ulklc; /* log L of user trees (clock) */ EXTERN dmatrix allsitesc; /* log L per sites of user trees (clock) */ EXTERN FILE *utfp; /* pointer to user tree file */ EXTERN FILE *ofp; /* pointer to output file */ EXTERN FILE *seqfp; /* pointer to sequence input file */ EXTERN FILE *tfp; /* pointer to tree file */ EXTERN FILE *dfp; /* pointer to distance file */ EXTERN FILE *trifp; /* pointer to triangle file */ EXTERN FILE *unresfp; /* pointer to file with unresolved quartets */ EXTERN FILE *tmpfp; /* pointer to temporary file */ EXTERN FILE *qptlist; /* pointer to file with puzzling step trees */ EXTERN FILE *qptorder; /* pointer to file with unique puzzling step trees */ EXTERN int SHcodon; /* whether SH should be applied to 1st, 2nd codon positions */ EXTERN int utree_optn; /* use first user tree for estimation */ EXTERN int listqptrees; /* list puzzling step trees */ EXTERN int approxqp; /* approximate QP quartets */ EXTERN int *edgeofleaf; /* vector with edge number of all leaves */ EXTERN int codon_optn; /* declares what positions in a codon should be used */ EXTERN int compclock; /* computation of clocklike branch lengths */ EXTERN int chooseA; /* leaf variable */ EXTERN int chooseB; /* leaf variable */ EXTERN int clustA, clustB, clustC, clustD; /* number of members of LM clusters */ EXTERN int column; /* used for breaking lines (writing tree to treefile) */ EXTERN int Frequ_optn; /* use empirical base frequencies */ EXTERN int Maxbrnch; /* 2*Maxspc - 3 */ EXTERN int Maxseqc; /* number of sequence characters per taxum */ EXTERN int mflag; /* flag used for correct printing of runtime messages */ EXTERN int minedge; /* edge with minimum edgeinfo */ EXTERN int nextedge; /* number of edges in the current tree */ EXTERN int nextleaf; /* next leaf to add to tree */ EXTERN int numclust; /* number of clusters in LM analysis */ EXTERN int outgroup; /* outgroup */ EXTERN int puzzlemode; /* computation of QP tree and/or ML distances */ EXTERN int rootsearch; /* how location of root is found */ EXTERN int rhetmode; /* model of rate heterogeneity */ EXTERN int splitlength; /* length of one entry in splitpatterns */ EXTERN int *splitsizes; /* size of all different splits of all trees */ EXTERN int usebestq_optn; /* use only best quartet topology, no bayesian weights */ EXTERN int show_optn; /* show unresolved quartets */ EXTERN int savequart_optn; /* save memory block which quartets to file */ EXTERN int savequartlh_optn; /* save quartet likelihoods to file */ EXTERN int saveqlhbin_optn; /* save quartet likelihoods binary */ EXTERN int readquart_optn; /* read memory block which quartets from file */ EXTERN int sym_optn; /* symmetrize doublet frequencies */ EXTERN int xsize; /* depth of consensus tree picture */ EXTERN int ytaxcounter; /* counter for establishing y-coordinates of all taxa */ EXTERN int numutrees; /* number of users trees in input tree file */ EXTERN ivector clusterA, clusterB, clusterC, clusterD; /* clusters for LM analysis */ EXTERN ivector consconfid; /* confidence values of majority rule consensus tree */ EXTERN ivector conssizes; /* partition sizes of majority rule consensus tree */ EXTERN ivector trueID; /* leaf -> taxon on this leaf */ EXTERN ivector xcor; /* x-coordinates of consensus tree nodes */ EXTERN ivector ycor; /* y-coordinates of consensus tree nodes */ EXTERN ivector ycormax; /* maximal y-coordinates of consensus tree nodes */ EXTERN ivector ycormin; /* minimal y-coordinates of consensus tree nodes */ EXTERN ivector ycortax; /* y-coordinates of all taxa */ EXTERN ONEEDGE *edge; /* vector with all the edges of the tree */ EXTERN uli *splitcomp; /* bipartition storage */ EXTERN uli *splitfreqs; /* frequencies of all different splits of all trees */ EXTERN uli *splitpatterns; /* all different splits of all trees */ EXTERN uli badqs; /* number of bad quartets */ EXTERN uli consincluded; /* number of included biparts in the consensus tree */ EXTERN uli Currtrial; /* counter for puzzling steps */ EXTERN uli maxbiparts; /* space is reserved for that many bipartitions */ EXTERN uli mininfo; /* value of edgeinfo on minedge */ EXTERN uli numbiparts; /* number of different bipartitions */ EXTERN uli Numquartets; /* number of quartets */ EXTERN uli Numtrial; /* number of puzzling steps */ EXTERN uli lmqts; /* quartets investigated in LM analysis (0 = ALL) */ EXTERN int auto_datatype; /* guess datatype ? */ EXTERN int guessdata_optn; /* guessed datatype */ EXTERN int auto_aamodel; /* guess amino acid modell ? */ EXTERN int guessauto_aamodel; /* guessed amino acid modell ? */ EXTERN int guessDayhf_optn; /* guessed Dayhoff model option */ EXTERN int guessJtt_optn; /* guessed JTT model option */ EXTERN int guessblosum62_optn; /* guessed BLOSUM 62 model option */ EXTERN int guessmtrev_optn; /* guessed mtREV model option */ EXTERN int guesscprev_optn; /* guessed cpREV model option */ EXTERN int guessvtmv_optn; /* guessed VT model option */ EXTERN int guesswag_optn; /* guessed WAG model option */ /* counter variables needed in likelihood mapping analysis */ EXTERN uli ar1, ar2, ar3; EXTERN uli reg1, reg2, reg3, reg4, reg5, reg6, reg7; EXTERN uli reg1l, reg1r, reg2u, reg2d, reg3u, reg3d, reg4u, reg4d, reg5l, reg5r, reg6u, reg6d; EXTERN unsigned char *quartetinfo; /* place where quartets are stored */ EXTERN dvector qweight; /* for use in QP and LM analysis */ EXTERN dvector sqdiff; EXTERN ivector qworder; EXTERN ivector sqorder; EXTERN int randseed; EXTERN int psteptreestrlen; typedef struct treelistitemtypedummy { struct treelistitemtypedummy *pred; struct treelistitemtypedummy *succ; struct treelistitemtypedummy *sortnext; struct treelistitemtypedummy *sortlast; char *tree; int count; int id; int idx; } treelistitemtype; EXTERN treelistitemtype *psteptreelist; EXTERN treelistitemtype *psteptreesortlist; EXTERN int psteptreenum; EXTERN int psteptreesum; /* prototypes */ void makeF84model(void); void compnumqts(void); void setoptions(void); void openfiletoread(FILE **, char[], char[]); void openfiletowrite(FILE **, char[], char[]); void openfiletoappend(FILE **, char[], char[]); void closefile(FILE *); void symdoublets(void); void computeexpectations(void); void putdistance(FILE *); void findidenticals(FILE *); double averagedist(void); void initps(FILE *); void plotlmpoint(FILE *, double, double); void finishps(FILE *); void makelmpoint(FILE *, double, double, double); void printtreestats(FILE *); void timestamp(FILE *); void writeoutputfile(FILE *, int); /* definitions for writing output */ #define WRITEALL 0 #define WRITEPARAMS 1 #define WRITEREST 2 void writetimesstat(FILE *ofp); void writecutree(FILE *, int); void starttimer(void); void checktimer(uli); void estimateparametersnotree(void); void estimateparameterstree(void); int main(int, char *[]); int ulicmp(const void *, const void *); int intcmp(const void *, const void *); void readid(FILE *, int); char readnextcharacter(FILE *, int, int); void skiprestofline(FILE *, int, int); void skipcntrl(FILE *, int, int); void getseqs(FILE *); void initid(int); void fputid10(FILE *, int); int fputid(FILE *, int); void getsizesites(FILE *); void getdataset(FILE *); int guessdatatype(void); void translatedataset(void); void estimatebasefreqs(void); void guessmodel(void); void inittree(void); void addnextleaf(int); void freetree(void); void writeOTU(FILE *, int); void writetree(FILE *); int *initctree(); void copytree(int *ctree); void freectree(int **snodes); void printctree(int *ctree); char *sprintfctree(int *ctree, int strlen); void fprintffullpstree(FILE *outf, char *treestr); int printfsortctree(int *ctree); int sortctree(int *ctree); int ct_1stedge(int node); int ct_2ndedge(int node); int ct_3rdedge(int node); void printfpstrees(treelistitemtype *list); void printfsortedpstrees(treelistitemtype *list); void fprintfsortedpstrees(FILE *output, treelistitemtype *list, int itemnum, int itemsum, int comment, float cutoff); void sortbynum(treelistitemtype *list, treelistitemtype **sortlist); treelistitemtype *addtree2list(char **tree, int numtrees, treelistitemtype **list, int *numitems, int *numsum); void freetreelist(treelistitemtype **list, int *numitems, int *numsum); void resetedgeinfo(void); void incrementedgeinfo(int, int); void minimumedgeinfo(void); void initconsensus(void); void makepart(int, int); void computebiparts(void); void printsplit(FILE *, uli); void makenewsplitentries(void); void copysplit(uli, int); void makeconsensus(void); void writenode(FILE *, int); void writeconsensustree(FILE *); void nodecoordinates(int); void drawnode(int, int); void plotconsensustree(FILE *); unsigned char *mallocquartets(int); void freequartets(void); unsigned char readquartet(int, int, int, int); void writequartet(int, int, int, int, unsigned char); void sort3doubles(dvector, ivector); void computeallquartets(void); void checkquartet(int, int, int, int); void num2quart(uli qnum, int *a, int *b, int *c, int *d); uli numquarts(int maxspc); uli quart2num (int a, int b, int c, int d); void writetpqfheader(int nspec, FILE *ofp, int flag); /* extracted from main (xxx) */ void compute_quartlklhds(int a, int b, int c, int d, double *d1, double *d2, double *d3, int approx); /* definitions for timing */ #define OVERALL 0 #define GENERAL 1 #define OPTIONS 2 #define PARAMEST 3 #define QUARTETS 4 #define PUZZLING 5 #define TREEEVAL 6 typedef struct { int currentjob; clock_t tempcpu; clock_t tempfullcpu; clock_t tempcpustart; time_t temptime; time_t tempfulltime; time_t temptimestart; clock_t maxcpu; clock_t mincpu; time_t maxtime; time_t mintime; double maxcpublock; double mincpublock; double mincputick; double mincputicktime; double maxtimeblock; double mintimeblock; double generalcpu; double optionscpu; double paramestcpu; double quartcpu; double quartblockcpu; double quartmaxcpu; double quartmincpu; double puzzcpu; double puzzblockcpu; double puzzmaxcpu; double puzzmincpu; double treecpu; double treeblockcpu; double treemaxcpu; double treemincpu; double cpu; double fullcpu; double generaltime; double optionstime; double paramesttime; double quarttime; double quartblocktime; double quartmaxtime; double quartmintime; double puzztime; double puzzblocktime; double puzzmaxtime; double puzzmintime; double treetime; double treeblocktime; double treemaxtime; double treemintime; double time; double fulltime; } timearray_t; EXTERN double cputime, walltime; EXTERN double fullcpu, fulltime; EXTERN double fullcputime, fullwalltime; EXTERN double altcputime, altwalltime; EXTERN clock_t cputimestart, cputimestop, cputimedummy; EXTERN time_t walltimestart, walltimestop, walltimedummy; EXTERN clock_t Startcpu; /* start cpu time */ EXTERN clock_t Stopcpu; /* stop cpu time */ EXTERN time_t Starttime; /* start time */ EXTERN time_t Stoptime; /* stop time */ EXTERN time_t time0; /* timer variable */ EXTERN time_t time1; /* yet another timer */ EXTERN time_t time2; /* yet another timer */ EXTERN timearray_t tarr; void resetqblocktime(timearray_t *ta); void resetpblocktime(timearray_t *ta); void inittimearr(timearray_t *ta); void addtimes(int jobtype, timearray_t *ta); #ifdef TIMEDEBUG void printtimearr(timearray_t *ta); #endif /* TIMEDEBUG */ #endif /* _PUZZLE_ */ ./arbsrc_9167/GDE/TREEPUZZLE/src/README0000644012664100000130000000004311213220011016672 0ustar arb_buildcodersSources of the TREE-PUZZLE package ./arbsrc_9167/GDE/TREEPUZZLE/src/sched.c0000644012664100000130000002462011213220011017253 0ustar arb_buildcoders/* * sched.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #include #include #include #include "sched.h" /* #include "ppuzzle.h" */ #define STDOUT stdout #ifndef PARALLEL /* because printf() runs significantly faster */ /* than fprintf(stdout) on an Apple McIntosh */ /* (HS) */ # define FPRINTF printf # define STDOUTFILE #else # define FPRINTF fprintf # define STDOUTFILE STDOUT, #endif int scinit; int ssinit; int fscinit; int gssinit; int tssinit; int n, chunksize; int p; #ifdef SCHEDTEST schedtype testsched; #endif void printsched(schedtype sch) { FPRINTF(STDOUTFILE "Current scheduling status:\n"); FPRINTF(STDOUTFILE " truetasks=%5ld - alltasks=%5ld - numtasks=%5ld - numprocs=%5d\n", sch.truetasks, sch.alltasks, sch.numtasks, sch.numprocs); FPRINTF(STDOUTFILE " delta =%5d - overhead=%5d - rest =%5d - inited =%5d\n", sch.delta, sch.overhead, sch.rest, sch.inited); FPRINTF(STDOUTFILE " nconst =%5d - fconst =%5f - lconst =%5f - kconst =%5f\n", sch.nconst, sch.fconst, sch.lconst, sch.kconst); } void initsched(schedtype *sch, uli tasks, int procs, uli minchunk) { if (minchunk < 1) minchunk = 1; (*sch).minchunk = minchunk; (*sch).truetasks = tasks; (*sch).rest = (int)((*sch).truetasks % (*sch).minchunk); (*sch).alltasks = (tasks - (*sch).rest); (*sch).numtasks = (*sch).alltasks; (*sch).numprocs = procs; (*sch).delta = 0; (*sch).overhead = 0; (*sch).nconst = 0; (*sch).fconst = 0; (*sch).lconst = 0; (*sch).kconst = 0; (*sch).inited = 0; # ifdef PVERBOSE1 printsched(*sch); # endif /* PVERBOSE1 */ } /************************************** * Static Chunking **************************************/ uli sc(schedtype *sch) { uli tmp; if ((*sch).inited == 0) { (*sch).overhead = (*sch).alltasks % (*sch).numprocs; (*sch).delta = ((*sch).alltasks - (*sch).overhead) / (*sch).numprocs; (*sch).inited ++; } if (!(*sch).overhead) { if ((*sch).numtasks >= (*sch).delta) tmp = (uli)(*sch).delta; else tmp = 0; } else { if ((*sch).numtasks >= ((*sch).delta + 1)) { tmp = (uli)(*sch).delta + 1; (*sch).overhead--; } else tmp = 0; } /* correction */ if ((tmp % (*sch).minchunk) > 0) { tmp += (*sch).minchunk - (tmp % (*sch).minchunk); } (*sch).numtasks -= tmp; if ((*sch).numtasks == 0) { tmp += (uli)(*sch).rest; (*sch).rest = 0; } return tmp; } /* SC */ /************************************** * Self Scheduling **************************************/ uli ss(schedtype *sch) { uli tmp; if ((*sch).inited == 0) { (*sch).inited ++; } if ((*sch).numtasks >= 1) tmp = 1; else tmp = (*sch).numtasks; /* correction */ if ((tmp % (*sch).minchunk) > 0) { tmp += (*sch).minchunk - (tmp % (*sch).minchunk); } (*sch).numtasks -= tmp; if ((*sch).numtasks == 0) { tmp += (uli)(*sch).rest; (*sch).rest = 0; } return tmp; } /* SS */ /************************************** * fixed-size chunking **************************************/ int fsc() { static int R ; static int delta ; static int overhead; int tmp; if (fscinit == 0) { R = n; overhead = n % p; delta = (n - overhead) / p; fscinit ++; } if (!overhead) { if (R >= delta) tmp = delta; else tmp = 0; } else { if (R >= (delta + 1)) { tmp = delta + 1; overhead--; } else tmp = 0; } R -= tmp; return tmp; } /* FSC */ /************************************** * Guided Self Scheduling **************************************/ uli gss(schedtype *sch) { uli tmp; if ((*sch).inited == 0) { (*sch).inited ++; } if ((*sch).numtasks >= 1) { tmp = (uli)ceil((*sch).numtasks / (*sch).numprocs); if (tmp == 0) tmp = 1; } else tmp = 0; /* correction */ if ((tmp % (*sch).minchunk) > 0) { tmp += (*sch).minchunk - (tmp % (*sch).minchunk); } (*sch).numtasks -= tmp; if ((*sch).numtasks == 0) { tmp += (uli)(*sch).rest; (*sch).rest = 0; } return tmp; } /* GSS */ /************************************** * Smooth Guided Self Scheduling **************************************/ uli sgss(schedtype *sch) { uli tmp; if ((*sch).inited == 0) { (*sch).inited ++; } if ((*sch).numtasks >= 1) { tmp = (uli)ceil(((*sch).numtasks / (*sch).numprocs) / 2); if (tmp == 0) tmp = 1; } else tmp = 0; /* correction */ if ((tmp % (*sch).minchunk) > 0) { tmp += (*sch).minchunk - (tmp % (*sch).minchunk); } (*sch).numtasks -= tmp; if ((*sch).numtasks == 0) { tmp += (uli)(*sch).rest; (*sch).rest = 0; } return tmp; } /* SGSS */ /************************************** * Trapezoid Self Scheduling **************************************/ uli tss(schedtype *sch) { uli tmp; if ((*sch).inited == 0) { (*sch).fconst = ceil((*sch).numtasks / (2*(*sch).numprocs)); if ((*sch).fconst == 0) (*sch).fconst = 1; (*sch).lconst = 1; (*sch).nconst = ceil( (2*n) / ((*sch).fconst + (*sch).lconst) ); (*sch).ddelta = (((*sch).fconst - (*sch).lconst) / ((*sch).nconst - 1)); (*sch).kconst = (*sch).fconst; FPRINTF(STDOUTFILE "f = n/2p = %.2f ; l = %.2f\n", (*sch).fconst, (*sch).lconst); FPRINTF(STDOUTFILE "N = 2n/(f+l) = %d ; delta = (f-l)/(N-1) = %.2f\n", (*sch).nconst, (*sch).ddelta); (*sch).inited ++; } if ((*sch).kconst <= (double) (*sch).numtasks) { tmp = (uli)ceil((*sch).kconst); (*sch).kconst -= (*sch).ddelta; } else { tmp = (uli)(*sch).numtasks; (*sch).kconst = 0.0; } /* correction */ if ((tmp % (*sch).minchunk) > 0) { tmp += (*sch).minchunk - (tmp % (*sch).minchunk); } (*sch).numtasks -= tmp; if ((*sch).numtasks == 0) { tmp += (uli)(*sch).rest; (*sch).rest = 0; } return tmp; } /* TSS */ /******************/ #ifdef SCHEDTEST uli numquarts(int maxspc) { uli tmp; int a, b, c, d; if (maxspc < 4) return (uli)0; else { maxspc--; a = maxspc-3; b = maxspc-2; c = maxspc-1; d = maxspc; tmp = (uli) 1 + a + (uli) b * (b-1) / 2 + (uli) c * (c-1) * (c-2) / 6 + (uli) d * (d-1) * (d-2) * (d-3) / 24; return (tmp); } } /* numquarts */ #endif /************************************** * main **************************************/ #ifdef SCHEDTEST int main(int argc, char *argv[]) { int tcount, count, lastsize, size; if ((argc > 4) || (argc < 3)) { FPRINTF(STDOUTFILE "\n\n Usage: %s <# species> <# processors> []\n\n", argv[0]); exit(1); } chunksize = 1; switch(argc) { case 4: chunksize = atoi(argv[3]); case 3: n = numquarts(atoi(argv[1])); p = atoi(argv[2]); } FPRINTF(STDOUTFILE "proc=%6d\n", p); FPRINTF(STDOUTFILE "task=%6d\n", n); initsched(&testsched, n, p, chunksize); printsched(testsched); count=1; tcount = 0; FPRINTF(STDOUTFILE "\n\n---------------------------\n"); FPRINTF(STDOUTFILE "SC(sched) - Static Chunking\n"); FPRINTF(STDOUTFILE "---------------------------\n\n"); do { size = sc(&testsched); if (size > 0) {FPRINTF(STDOUTFILE "%6d. chunk = %6d %c\n", count++, size , (size%chunksize) ? '!' : ' '); tcount+=size;} else FPRINTF(STDOUTFILE "%d tasks in %d chunks\n", tcount, (count-1)); } while (size > 0); initsched(&testsched, n, p, chunksize); printsched(testsched); count=1; tcount = 0; FPRINTF(STDOUTFILE "\n\n---------------------------\n"); FPRINTF(STDOUTFILE "SS(sched) - Self Scheduling\n"); FPRINTF(STDOUTFILE "---------------------------\n\n"); do { size = ss(&testsched); if (size > 0) {if (count==1) FPRINTF(STDOUTFILE "%6d. chunk = %6d %c\n", count++, size , (size%chunksize) ? '!' : ' '); count++; tcount+=size; lastsize = size;} else {FPRINTF(STDOUTFILE " ...\n"); FPRINTF(STDOUTFILE "%6d. chunk = %6d %c\n", count++, lastsize , (lastsize%chunksize) ? '!' : ' '); FPRINTF(STDOUTFILE "%d tasks in %d chunks\n", tcount, (count-1));} } while (size > 0); /**/ count=1; tcount = 0; FPRINTF(STDOUTFILE "\n\n---------------------------\n"); FPRINTF(STDOUTFILE "FSC() - Fixed-Size Chunking\n"); FPRINTF(STDOUTFILE "---------------------------\n\n"); do { size = fsc(); if (size > 0) {FPRINTF(STDOUTFILE "%6d. chunk = %6d %c\n", count++, size , (size%chunksize) ? '!' : ' '); tcount+=size;} else FPRINTF(STDOUTFILE "%d tasks in %d chunks\n", tcount, (count-1)); } while (size > 0); /**/ initsched(&testsched, n, p, chunksize); printsched(testsched); count=1; tcount = 0; FPRINTF(STDOUTFILE "\n\n-----------------------------------\n"); FPRINTF(STDOUTFILE "GSS(sched) - Guided Self Scheduling\n"); FPRINTF(STDOUTFILE "-----------------------------------\n\n"); do { size = gss(&testsched); if (size > 0) {FPRINTF(STDOUTFILE "%6d. chunk = %6d %c\n", count++, size , (size%chunksize) ? '!' : ' '); tcount+=size;} else FPRINTF(STDOUTFILE "%d tasks in %d chunks\n", tcount, (count-1)); } while (size > 0); initsched(&testsched, n, p, chunksize); printsched(testsched); count=1; tcount = 0; FPRINTF(STDOUTFILE "\n\n--------------------------------------\n"); FPRINTF(STDOUTFILE "TSS(sched) - Trapezoid Self Scheduling\n"); FPRINTF(STDOUTFILE "--------------------------------------\n\n"); do { size = tss(&testsched); if (size > 0) {FPRINTF(STDOUTFILE "%6d. chunk = %6d %c\n", count++, size , (size%chunksize) ? '!' : ' '); tcount+=size;} else FPRINTF(STDOUTFILE "%d tasks in %d chunks\n", tcount, (count-1)); } while (size > 0); return (0); } #endif ./arbsrc_9167/GDE/TREEPUZZLE/src/sched.h0000644012664100000130000000221411213220011017253 0ustar arb_buildcoders/* * sched.h * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #ifndef SCHED_H #define SCHED_H #ifndef SCHEDTEST # include "util.h" #else typedef unsigned long int uli; #endif typedef struct sched_t{ uli truetasks; uli alltasks; uli numtasks; uli minchunk; int numprocs; int delta; double ddelta; int overhead; int rest; int nconst; double fconst; double lconst; double kconst; int inited; } schedtype; void num2quart(uli qnum, int *a, int *b, int *c, int *d); uli numquarts(int maxspc); uli quart2num (int a, int b, int c, int d); void printsched(schedtype sch); void initsched(schedtype *sch, uli tasks, int procs, uli minchunk); uli sc(schedtype *sch); uli gss(schedtype *sch); uli sgss(schedtype *sch); uli tss(schedtype *sch); #endif /* SCHED_H */ ./arbsrc_9167/GDE/TREEPUZZLE/src/util.c0000644012664100000130000003725011213220011017145 0ustar arb_buildcoders/* * util.c * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #include "util.h" #define STDOUT stdout #ifndef PARALLEL /* because printf() runs significantly faster */ /* than fprintf(stdout) on an Apple McIntosh */ /* (HS) */ # define FPRINTF printf # define STDOUTFILE #else # define FPRINTF fprintf # define STDOUTFILE STDOUT, extern int PP_NumProcs; extern int PP_Myid; long int PP_randn; long int PP_rand; #endif /* * memory allocation error handler */ void maerror(const char *message) { FPRINTF(STDOUTFILE "\n\n\nUnable to proceed (lack of memory: %s)\n\n", message); FPRINTF(STDOUTFILE "Hint for Macintosh users:\n"); FPRINTF(STDOUTFILE "Use the command of the Finder to increase the memory partition!\n\n"); exit(1); } /* * memory allocate double vectors, matrices, and cubes */ dvector new_dvector(int n) { dvector v; v = (dvector) malloc((unsigned) (n * sizeof(double))); if (v == NULL) maerror("step 1 in new_dvector"); return v; } dmatrix new_dmatrix(int nrow, int ncol) { int i; dmatrix m; m = (dmatrix) malloc((unsigned) (nrow * sizeof(dvector))); if (m == NULL) maerror("step 1 in in new_dmatrix"); *m = (dvector) malloc((unsigned) (nrow * ncol * sizeof(double))); if (*m == NULL) maerror("step 2 in in new_dmatrix"); for (i = 1; i < nrow; i++) m[i] = m[i-1] + ncol; return m; } dcube new_dcube(int ntri, int nrow, int ncol) { int i, j; dcube c; c = (dcube) malloc((unsigned) (ntri * sizeof(dmatrix))); if (c == NULL) maerror("step 1 in in new_dcube"); *c = (dmatrix) malloc((unsigned) (ntri * nrow * sizeof(dvector))); if (*c == NULL) maerror("step 2 in in new_dcube"); **c = (dvector) malloc((unsigned) (ntri * nrow * ncol * sizeof(double))); if (**c == NULL) maerror("step 3 in in new_dcube"); for (j = 1; j < nrow; j++) c[0][j] = c[0][j-1] + ncol; for (i = 1; i < ntri; i++) { c[i] = c[i-1] + nrow; c[i][0] = c[i-1][0] + nrow * ncol; for (j = 1; j < nrow; j++) c[i][j] = c[i][j-1] + ncol; } return c; } void free_dvector(dvector v) { free((double *) v); } void free_dmatrix(dmatrix m) { free((double *) *m); free((double *) m); } void free_dcube(dcube c) { free((double *) **c); free((double *) *c); free((double *) c); } /* * memory allocate char vectors, matrices, and cubes */ cvector new_cvector(int n) { cvector v; v = (cvector) malloc((unsigned)n * sizeof(char)); if (v == NULL) maerror("step1 in new_cvector"); return v; } cmatrix new_cmatrix(int nrow, int ncol) { int i; cmatrix m; m = (cmatrix) malloc((unsigned) (nrow * sizeof(cvector))); if (m == NULL) maerror("step 1 in new_cmatrix"); *m = (cvector) malloc((unsigned) (nrow * ncol * sizeof(char))); if (*m == NULL) maerror("step 2 in new_cmatrix"); for (i = 1; i < nrow; i++) m[i] = m[i-1] + ncol; return m; } ccube new_ccube(int ntri, int nrow, int ncol) { int i, j; ccube c; c = (ccube) malloc((unsigned) (ntri * sizeof(cmatrix))); if (c == NULL) maerror("step 1 in new_ccube"); *c = (cmatrix) malloc((unsigned) (ntri * nrow * sizeof(cvector))); if (*c == NULL) maerror("step 2 in new_ccube"); **c = (cvector) malloc((unsigned) (ntri * nrow * ncol * sizeof(char))); if (**c == NULL) maerror("step 3 in new_ccube"); for (j = 1; j < nrow; j++) c[0][j] = c[0][j-1] + ncol; for (i = 1; i < ntri; i++) { c[i] = c[i-1] + nrow; c[i][0] = c[i-1][0] + nrow * ncol; for (j = 1; j < nrow; j++) c[i][j] = c[i][j-1] + ncol; } return c; } void free_cvector(cvector v) { free((char *) v); } void free_cmatrix(cmatrix m) { free((char *) *m); free((char *) m); } void free_ccube(ccube c) { free((char *) **c); free((char *) *c); free((char *) c); } /* * memory allocate int vectors, matrices, and cubes */ ivector new_ivector(int n) { ivector v; v = (ivector) malloc((unsigned) (n * sizeof(int))); if (v == NULL) maerror("step 1 in new_ivector"); return v; } imatrix new_imatrix(int nrow, int ncol) { int i; imatrix m; m = (imatrix) malloc((unsigned) (nrow * sizeof(ivector))); if (m == NULL) maerror("step 1 in new_imatrix"); *m = (ivector) malloc((unsigned) (nrow * ncol * sizeof(int))); if (*m == NULL) maerror("step 2 in new_imatrix"); for (i = 1; i < nrow; i++) m[i] = m[i-1] + ncol; return m; } icube new_icube(int ntri, int nrow, int ncol) { int i, j; icube c; c = (icube) malloc((unsigned) (ntri * sizeof(imatrix))); if (c == NULL) maerror("step 1 in new_icube"); *c = (imatrix) malloc((unsigned) (ntri * nrow * sizeof(ivector))); if (*c == NULL) maerror("step 2 in new_icube"); **c = (ivector) malloc((unsigned) (ntri * nrow * ncol * sizeof(int))); if (**c == NULL) maerror("step 3 in new_icube"); for (j = 1; j < nrow; j++) c[0][j] = c[0][j-1] + ncol; for (i = 1; i < ntri; i++) { c[i] = c[i-1] + nrow; c[i][0] = c[i-1][0] + nrow * ncol; for (j = 1; j < nrow; j++) c[i][j] = c[i][j-1] + ncol; } return c; } void free_ivector(ivector v) { free((int *) v); } void free_imatrix(imatrix m) { free((int *) *m); free((int *) m); } void free_icube(icube c) { free((int *) **c); free((int *) *c); free((int *) c); } /* * memory allocate uli vectors, matrices, and cubes */ ulivector new_ulivector(int n) { ulivector v; v = (ulivector) malloc((unsigned) (n * sizeof(uli))); if (v == NULL) maerror("step 1 in new_ulivector"); return v; } ulimatrix new_ulimatrix(int nrow, int ncol) { int i; ulimatrix m; m = (ulimatrix) malloc((unsigned) (nrow * sizeof(ulivector))); if (m == NULL) maerror("step 1 in new_ulimatrix"); *m = (ulivector) malloc((unsigned) (nrow * ncol * sizeof(uli))); if (*m == NULL) maerror("step 2 in new_ulimatrix"); for (i = 1; i < nrow; i++) m[i] = m[i-1] + ncol; return m; } ulicube new_ulicube(int ntri, int nrow, int ncol) { int i, j; ulicube c; c = (ulicube) malloc((unsigned) (ntri * sizeof(ulimatrix))); if (c == NULL) maerror("step 1 in new_ulicube"); *c = (ulimatrix) malloc((unsigned) (ntri * nrow * sizeof(ulivector))); if (*c == NULL) maerror("step 2 in new_ulicube"); **c = (ulivector) malloc((unsigned) (ntri * nrow * ncol * sizeof(uli))); if (**c == NULL) maerror("step 3 in new_ulicube"); for (j = 1; j < nrow; j++) c[0][j] = c[0][j-1] + ncol; for (i = 1; i < ntri; i++) { c[i] = c[i-1] + nrow; c[i][0] = c[i-1][0] + nrow * ncol; for (j = 1; j < nrow; j++) c[i][j] = c[i][j-1] + ncol; } return c; } void free_ulivector(ulivector v) { free((uli *) v); } void free_ulimatrix(ulimatrix m) { free((uli *) *m); free((uli *) m); } void free_ulicube(ulicube c) { free((uli *) **c); free((uli *) *c); free((uli *) c); } /******************************************************************************/ /* random numbers generator (Numerical recipes) */ /******************************************************************************/ /* definitions */ #define IM1 2147483563 #define IM2 2147483399 #define AM (1.0/IM1) #define IMM1 (IM1-1) #define IA1 40014 #define IA2 40692 #define IQ1 53668 #define IQ2 52774 #define IR1 12211 #define IR2 3791 #define NTAB 32 #define NDIV (1+IMM1/NTAB) #define EPS 1.2e-7 #define RNMX (1.0-EPS) /* variable */ long idum; double randomunitintervall() /* Long period (> 2e18) random number generator. Returns a uniform random deviate between 0.0 and 1.0 (exclusive of endpoint values). Source: Press et al., "Numerical recipes in C", Cambridge University Press, 1992 (chapter 7 "Random numbers", ran2 random number generator) */ { int j; long k; static long idum2=123456789; static long iy=0; static long iv[NTAB]; double temp; if (idum <= 0) { if (-(idum) < 1) idum=1; else idum=-(idum); idum2=(idum); for (j=NTAB+7;j>=0;j--) { k=(idum)/IQ1; idum=IA1*(idum-k*IQ1)-k*IR1; if (idum < 0) idum += IM1; if (j < NTAB) iv[j] = idum; } iy=iv[0]; } k=(idum)/IQ1; idum=IA1*(idum-k*IQ1)-k*IR1; if (idum < 0) idum += IM1; k=idum2/IQ2; idum2=IA2*(idum2-k*IQ2)-k*IR2; if (idum2 < 0) idum2 += IM2; j=iy/NDIV; iy=iv[j]-idum2; iv[j] = idum; if (iy < 1) iy += IMM1; if ((temp=AM*iy) > RNMX) return RNMX; else return temp; } #undef IM1 #undef IM2 #undef AM #undef IMM1 #undef IA1 #undef IA2 #undef IQ1 #undef IQ2 #undef IR1 #undef IR2 #undef NTAB #undef NDIV #undef EPS #undef RNMX int initrandom(int seed) { srand((unsigned) time(NULL)); if (seed < 0) seed = rand(); idum=-(long) seed; # ifdef PARALLEL { int n; for (n=0; n= 0.0 ? fabs(a) : -fabs(a)) /* Brents method in one dimension */ double brent(double ax, double bx, double cx, double (*f)(double), double tol, double *foptx, double *f2optx, double fax, double fbx, double fcx) { int iter; double a,b,d=0,etemp,fu,fv,fw,fx,p,q,r,tol1,tol2,u,v,w,x,xm; double xw,wv,vx; double e=0.0; a=(ax < cx ? ax : cx); b=(ax > cx ? ax : cx); x=bx; fx=fbx; if (fax < fcx) { w=ax; fw=fax; v=cx; fv=fcx; } else { w=cx; fw=fcx; v=ax; fv=fax; } for (iter=1;iter<=ITMAX;iter++) { xm=0.5*(a+b); tol2=2.0*(tol1=tol*fabs(x)+ZEPS); if (fabs(x-xm) <= (tol2-0.5*(b-a))) { *foptx = fx; xw = x-w; wv = w-v; vx = v-x; *f2optx = 2.0*(fv*xw + fx*wv + fw*vx)/ (v*v*xw + x*x*wv + w*w*vx); return x; } if (fabs(e) > tol1) { r=(x-w)*(fx-fv); q=(x-v)*(fx-fw); p=(x-v)*q-(x-w)*r; q=2.0*(q-r); if (q > 0.0) p = -p; q=fabs(q); etemp=e; e=d; if (fabs(p) >= fabs(0.5*q*etemp) || p <= q*(a-x) || p >= q*(b-x)) d=CGOLD*(e=(x >= xm ? a-x : b-x)); else { d=p/q; u=x+d; if (u-a < tol2 || b-u < tol2) d=SIGN(tol1,xm-x); } } else { d=CGOLD*(e=(x >= xm ? a-x : b-x)); } u=(fabs(d) >= tol1 ? x+d : x+SIGN(tol1,d)); fu=(*f)(u); if (fu <= fx) { if (u >= x) a=x; else b=x; SHFT(v,w,x,u) SHFT(fv,fw,fx,fu) } else { if (u < x) a=u; else b=u; if (fu <= fw || w == x) { v=w; w=u; fv=fw; fw=fu; } else if (fu <= fv || v == x || v == w) { v=u; fv=fu; } } } *foptx = fx; xw = x-w; wv = w-v; vx = v-x; *f2optx = 2.0*(fv*xw + fx*wv + fw*vx)/ (v*v*xw + x*x*wv + w*w*vx); return x; } #undef ITMAX #undef CGOLD #undef ZEPS #undef SHFT #undef SIGN #undef GOLD #undef GLIMIT #undef TINY /* one-dimensional minimization - as input a lower and an upper limit and a trial value for the minimum is needed: xmin < xguess < xmax the function and a fractional tolerance has to be specified onedimenmin returns the optimal x value and the value of the function and its second derivative at this point */ double onedimenmin(double xmin, double xguess, double xmax, double (*f)(double), double tol, double *fx, double *f2x) { double eps, optx, ax, bx, cx, fa, fb, fc; /* first attempt to bracketize minimum */ eps = xguess*tol*50.0; ax = xguess - eps; if (ax < xmin) ax = xmin; bx = xguess; cx = xguess + eps; if (cx > xmax) cx = xmax; /* check if this works */ fa = (*f)(ax); fb = (*f)(bx); fc = (*f)(cx); /* if it works use these borders else be conservative */ if ((fa < fb) || (fc < fb)) { if (ax != xmin) fa = (*f)(xmin); if (cx != xmax) fc = (*f)(xmax); optx = brent(xmin, xguess, xmax, f, tol, fx, f2x, fa, fb, fc); } else optx = brent(ax, bx, cx, f, tol, fx, f2x, fa, fb, fc); return optx; /* return optimal x */ } /* two-dimensional minimization with borders and calculations of standard errors */ /* we optimize along basis vectors - not very optimal but it seems to work well */ void twodimenmin(double tol, int active1, double min1, double *x1, double max1, double (*func1)(double), double *err1, int active2, double min2, double *x2, double max2, double (*func2)(double), double *err2) { int it, nump, change; double x1old, x2old; double fx, f2x; it = 0; nump = 0; /* count number of parameters */ if (active1) nump++; if (active2) nump++; do { /* repeat until nothing changes any more */ it++; change = FALSE; /* optimize first variable */ if (active1) { if ((*x1) <= min1) (*x1) = min1 + 0.2*(max1-min1); if ((*x1) >= max1) (*x1) = max1 - 0.2*(max1-min1); x1old = (*x1); (*x1) = onedimenmin(min1, (*x1), max1, func1, tol, &fx, &f2x); if ((*x1) < min1) (*x1) = min1; if ((*x1) > max1) (*x1) = max1; /* same tolerance as 1D minimization */ if (fabs((*x1) - x1old) > 3.3*tol) change = TRUE; /* standard error */ f2x = fabs(f2x); if (1.0/(max1*max1) < f2x) (*err1) = sqrt(1.0/f2x); else (*err1) = max1; } /* optimize second variable */ if (active2) { if ((*x2) <= min2) (*x2) = min2 + 0.2*(max2-min2); if ((*x2) >= max2) (*x2) = max2 - 0.2*(max2-min2); x2old = (*x2); (*x2) = onedimenmin(min2, (*x2), max2, func2, tol, &fx, &f2x); if ((*x2) < min2) (*x2) = min2; if ((*x2) > max2) (*x2) = max2; /* same tolerance as 1D minimization */ if (fabs((*x2) - x2old) > 3.3*tol) change = TRUE; /* standard error */ f2x = fabs(f2x); if (1.0/(max2*max2) < f2x) (*err2) = sqrt(1.0/f2x); else (*err2) = max2; } if (nump == 1) return; } while (it != MAXITS && change); return; } ./arbsrc_9167/GDE/TREEPUZZLE/src/util.h0000644012664100000130000000443311213220011017147 0ustar arb_buildcoders/* * util.h * * * Part of TREE-PUZZLE 5.0 (June 2000) * * (c) 1999-2000 by Heiko A. Schmidt, Korbinian Strimmer, * M. Vingron, and Arndt von Haeseler * (c) 1995-1999 by Korbinian Strimmer and Arndt von Haeseler * * All parts of the source except where indicated are distributed under * the GNU public licence. See http://www.opensource.org for details. */ #ifndef _UTIL_ #define _UTIL_ #include #include #include #include /* * general definitions */ #define TRUE 1 #define FALSE 0 #ifdef PARALLEL extern long int PP_randn; extern long int PP_rand; #endif /* * type definitions */ typedef unsigned long int uli; typedef double *dvector, **dmatrix, ***dcube; typedef char *cvector, **cmatrix, ***ccube; typedef int *ivector, **imatrix, ***icube; typedef uli *ulivector, **ulimatrix, ***ulicube; /* * prototypes of functions defined in util.c */ void maerror(const char *message); dvector new_dvector(int n); dmatrix new_dmatrix(int nrow, int ncol); dcube new_dcube(int ntri, int nrow, int ncol); void free_dvector(dvector v); void free_dmatrix(dmatrix m); void free_dcube(dcube c); cvector new_cvector(int n); cmatrix new_cmatrix(int nrow, int ncol); ccube new_ccube(int ntri, int nrow, int ncol); void free_cvector(cvector v); void free_cmatrix(cmatrix m); void free_ccube(ccube c); ivector new_ivector(int n); imatrix new_imatrix(int nrow, int ncol); icube new_icube(int ntri, int nrow, int ncol); void free_ivector(ivector v); void free_imatrix(imatrix m); void free_icube(icube c); ulivector new_ulivector(int n); ulimatrix new_ulimatrix(int nrow, int ncol); ulicube new_ulicube(int ntri, int nrow, int ncol); void free_ulivector(ulivector v); void free_ulimatrix(ulimatrix m); void free_ulicube(ulicube c); double randomunitintervall(void); int initrandom(int seed); int randominteger(int n); void chooser(int t, int s, ivector slist); void *myrealloc(void *, size_t); cvector mygets(void); #define MAXITS 10 /* maximum number of iterations in twoedimenmin */ double onedimenmin(double, double, double, double (*f )(double ), double, double *, double *); void twodimenmin(double, int, double, double *, double, double (*func1 )(double ), double *, int, double, double *, double, double (*func2 )(double ), double *); #endif ./arbsrc_9167/GDE/TREEPUZZLE/unused_source.tgz0000644012664100000130000010034111213220011020636 0ustar arb_buildcoders‹JVAEìlº#³]@@áÁ¬Â©,…"“Ý5pìÙK”÷úƒóÖÙ8Y@útÒõþp”È1—½ì¨ Ç¥Aí6Ón[ÈÒnï´uUèEWt¡‚¬ïjÀ®„ìiÈž„Ô5¤.!û²/!r !‡r( Äz¤ ÁO:§ ŠE‚uŸ)-©zÓZxqqùÛog&Šàn:ƒa·ßC˜,‚Ì`—m‹v¥ÖŽÏHñVªÙ2òêòÀZÞºûl2©#9ÅRfDª›…zß}>nŸuZ½ñi÷¬ƒ“[HϸÝ??'rÙÔý¼Ã@ó_ôºvÿâU·÷œµç¶7ãgþŒ)Qû/{m™ûf¯óë%Ä2tkî,†ÝR—h{¤UÂ9£]¶·×é…ÓGê©ù¢A+.uØ¿´;C, +¥â¨óÊ ËK–5j¡QC¼e=ÿ­{1îô~j¥r¡—36R “á“Ȫ/OO»/;Æ•/*†Ël¤8æ{j`ÿZ¦%f=œ8éÞìDZtA% hæÅð_éó*_%q‰¥9Ý`Éb¹r‹Š˜*î qhL¯{Û2¤B*ñ»™?VuÉ[C˪¤Vj –´œ3½\Ѥ’Âd.*Q›|QRš7ºŽO:ÞI§×î‚ð­‡ÛÈ‚$ç|rkmÀºqªuy©¹/ÁõeæÝ°*¹»”t,&”Éî ! 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Westram (coder@reallysoft.de) in September 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef EXP_HXX #define EXP_HXX #ifndef AW_ROOT_HXX #include #endif class AW_window_menu_modes; // -------------------------------------------------------------------------------- // awars: #define AWAR_EXPERIMENT_NAME "tmp/exp/name" #define AWAR_PROTEOM_NAME "tmp/exp/proteom_name" #define AWAR_PROTEIN_NAME "tmp/exp/protein_name" void EXP_create_awars(AW_root *aw_root, AW_default aw_def); GBDATA *EXP_get_current_experiment(GBDATA *gb_main, AW_root *aw_root); // get AWAR_EXPERIMENT_NAME experiment // -------------------------------------------------------------------------------- // submenu: void EXP_create_experiments_submenu(AW_window_menu_modes *awm, bool submenu); // -------------------------------------------------------------------------------- // windows: AW_window *EXP_create_experiment_query_window(AW_root *aw_root); struct ad_item_selector; ad_item_selector *EXP_get_selector(); // return EXP_item_selector #else #error EXP.hxx included twice #endif // EXP_HXX ./arbsrc_9167/GENOM/EXP_interface.cxx0000644012664100000130000004727011440743000017207 0ustar arb_buildcoders// ==================================================================== // // // // File : EXP_interface.cxx // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include #include #include #include #include #include "EXP.hxx" #include "EXP_interface.hxx" #include "EXP_local.hxx" #include "GEN.hxx" #include "GEN_local.hxx" #include "GEN_interface.hxx" #include "../NTREE/ad_spec.hxx" #include <../NTREE/nt_internal.h> #include #include using namespace std; extern GBDATA *GLOBAL_gb_main; #define AD_F_ALL (AW_active)(-1) GBDATA* EXP_get_current_experiment_data(GBDATA *gb_main, AW_root *aw_root) { GBDATA *gb_species = GEN_get_current_organism(gb_main, aw_root); GBDATA *gb_experiment_data = 0; if (gb_species) gb_experiment_data = EXP_get_experiment_data(gb_species); return gb_experiment_data; } static void EXP_select_experiment(GBDATA* /*gb_main*/, AW_root *aw_root, const char *item_name) { char *name = strdup(item_name); char *slash = strchr(name, '/'); if (slash) { slash[0] = 0; aw_root->awar(AWAR_ORGANISM_NAME)->write_string(name); aw_root->awar(AWAR_EXPERIMENT_NAME)->write_string(slash+1); } free(name); } static char *EXP_get_experiment_id(GBDATA */*gb_main*/, GBDATA *gb_experiment) { GBDATA *gb_species = GB_get_grandfather(gb_experiment); return GBS_global_string_copy("%s/%s", GBT_read_name(gb_species), GBT_read_name(gb_experiment)); } static GBDATA *EXP_find_experiment_by_id(GBDATA *gb_main, const char *id) { char *organism = strdup(id); char *exp = strchr(organism, '/'); GBDATA *result = 0; if (exp) { *exp++ = 0; GBDATA *gb_organism = GEN_find_organism(gb_main, organism); if (gb_organism) { result = EXP_find_experiment(gb_organism, exp); } } free(organism); return result; } static char *old_species_marks = 0; // configuration storing marked species // extern "C" { // typedef GB_ERROR (*species_callback)(GBDATA *gb_species, int *clientdata); // GB_ERROR GBT_with_stored_species(GBDATA *gb_main, const char *stored, species_callback doit, int *clientdata); // } inline void exp_restore_old_species_marks() { if (old_species_marks) { GBT_restore_marked_species(GLOBAL_gb_main, old_species_marks); freeset(old_species_marks, 0); } } static GBDATA *EXP_get_first_experiment_data(GBDATA *gb_main, AW_root *aw_root, AWT_QUERY_RANGE range) { GBDATA *gb_organism = 0; GB_ERROR error = 0; exp_restore_old_species_marks(); switch (range) { case AWT_QUERY_CURRENT_SPECIES: { char *species_name = aw_root->awar(AWAR_ORGANISM_NAME)->read_string(); gb_organism = GBT_find_species(gb_main, species_name); free(species_name); break; } case AWT_QUERY_MARKED_SPECIES: { GBDATA *gb_pseudo = GEN_first_marked_pseudo_species(gb_main); if (gb_pseudo) { // there are marked pseudo-species.. old_species_marks = GBT_store_marked_species(gb_main, 1); // store and unmark marked species error = GBT_with_stored_species(gb_main, old_species_marks, GEN_mark_organism_or_corresponding_organism, 0); // mark organisms related with stored if (!error) gb_organism = GEN_first_marked_organism(gb_main); } else { gb_organism = GEN_first_marked_organism(gb_main); } break; } case AWT_QUERY_ALL_SPECIES: { gb_organism = GBT_first_species(gb_main); break; } default: { gen_assert(0); break; } } if (error) GB_export_error(error); return gb_organism ? EXP_get_experiment_data(gb_organism) : 0; } static GBDATA *EXP_get_next_experiment_data(GBDATA *gb_experiment_data, AWT_QUERY_RANGE range) { GBDATA *gb_organism = 0; switch (range) { case AWT_QUERY_CURRENT_SPECIES: { break; } case AWT_QUERY_MARKED_SPECIES: { GBDATA *gb_last_species = GB_get_father(gb_experiment_data); gb_organism = GEN_next_marked_organism(gb_last_species); if (!gb_organism) exp_restore_old_species_marks(); // got all -> clean up break; } case AWT_QUERY_ALL_SPECIES: { GBDATA *gb_last_species = GB_get_father(gb_experiment_data); gb_organism = GBT_next_species(gb_last_species); break; } default: { gen_assert(0); break; } } return gb_organism ? EXP_get_experiment_data(gb_organism) : 0; } struct ad_item_selector EXP_item_selector = { AWT_QUERY_ITEM_EXPERIMENTS, EXP_select_experiment, EXP_get_experiment_id, EXP_find_experiment_by_id, (AW_CB)awt_experiment_field_selection_list_update_cb, -1, // unknown CHANGE_KEY_PATH_EXPERIMENTS, "experiment", "experiments", "name", EXP_get_first_experiment_data, EXP_get_next_experiment_data, EXP_first_experiment_rel_exp_data, EXP_next_experiment, EXP_get_current_experiment, &AWT_organism_selector, GB_get_grandfather, }; ad_item_selector *EXP_get_selector() { return &EXP_item_selector; } GBDATA *EXP_get_current_experiment(GBDATA *gb_main, AW_root *aw_root) { GBDATA *gb_organism = GEN_get_current_organism(gb_main, aw_root); GBDATA *gb_experiment = 0; if (gb_organism) { char *experiment_name = aw_root->awar(AWAR_EXPERIMENT_NAME)->read_string(); gb_experiment = EXP_find_experiment(gb_organism,experiment_name); free(experiment_name); } return gb_experiment; } static AW_CL ad_global_scannerid = 0; static AW_root *ad_global_scannerroot = 0; AW_CL experiment_query_global_cbs = 0; AW_window *EXP_create_experiment_query_window(AW_root *aw_root) { static AW_window_simple_menu *aws = 0; if (aws){ return (AW_window *)aws; } aws = new AW_window_simple_menu; aws->init( aw_root, "EXPERIMENT_QUERY", "Experiment SEARCH and QUERY"); aws->create_menu("More functions","f"); aws->load_xfig("ad_query.fig"); awt_query_struct awtqs; awtqs.gb_main = GLOBAL_gb_main; awtqs.species_name = AWAR_SPECIES_NAME; awtqs.tree_name = AWAR_TREE; // awtqs.query_genes = true; // awtqs.gene_name = AWAR_GENE_NAME; awtqs.select_bit = 1; awtqs.use_menu = 1; awtqs.ere_pos_fig = "ere3"; awtqs.where_pos_fig = "where3"; awtqs.by_pos_fig = "by3"; awtqs.qbox_pos_fig = "qbox"; awtqs.rescan_pos_fig = 0; awtqs.key_pos_fig = 0; awtqs.query_pos_fig = "content"; awtqs.result_pos_fig = "result"; awtqs.count_pos_fig = "count"; awtqs.do_query_pos_fig = "doquery"; awtqs.config_pos_fig = "doconfig"; awtqs.do_mark_pos_fig = "domark"; awtqs.do_unmark_pos_fig = "dounmark"; awtqs.do_delete_pos_fig = "dodelete"; awtqs.do_set_pos_fig = "doset"; awtqs.do_refresh_pos_fig = "dorefresh"; awtqs.open_parser_pos_fig = "openparser"; awtqs.create_view_window = (AW_CL)EXP_create_experiment_window; awtqs.selector = &EXP_item_selector; AW_CL cbs = (AW_CL)awt_create_query_box((AW_window*)aws, &awtqs, "exp"); experiment_query_global_cbs = cbs; aws->create_menu("More search", "s" ); aws->insert_menu_topic("exp_search_equal_fields_within_db","Search For Equal Fields and Mark Duplicates", "E", "search_duplicates.hlp", AWM_ALL, (AW_CB)awt_search_equal_entries, cbs, 0); aws->insert_menu_topic("exp_search_equal_words_within_db", "Search For Equal Words Between Fields and Mark Duplicates", "W", "search_duplicates.hlp", AWM_ALL, (AW_CB)awt_search_equal_entries, cbs, 1); aws->button_length(7); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback( AW_POPUP_HELP,(AW_CL)"experiment_search.hlp"); aws->create_button("HELP","HELP","H"); return (AW_window *)aws; } void experiment_delete_cb(AW_window *aww){ if (aw_ask_sure("Are you sure to delete the experiment")) { GB_transaction ta(GLOBAL_gb_main); GB_ERROR error = 0; GBDATA *gb_experiment = EXP_get_current_experiment(GLOBAL_gb_main, aww->get_root()); error = gb_experiment ? GB_delete(gb_experiment) : "Please select a experiment first"; if (error) { error = ta.close(error); aw_message(error); } } } void experiment_create_cb(AW_window *aww) { AW_root *aw_root = aww->get_root(); char *dest = aw_root->awar(AWAR_EXPERIMENT_DEST)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_experiment_data = EXP_get_current_experiment_data(GLOBAL_gb_main, aw_root); if (!gb_experiment_data) { error = "Please select a species"; } else { GBDATA *gb_dest = EXP_find_experiment_rel_exp_data(gb_experiment_data, dest); if (gb_dest) { error = GB_export_errorf("Experiment '%s' already exists", dest); } else { gb_dest = EXP_find_or_create_experiment_rel_exp_data(gb_experiment_data, dest); if (!gb_dest) error = GB_await_error(); else aww->get_root()->awar(AWAR_EXPERIMENT_NAME)->write_string(dest); } } } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(dest); } void experiment_rename_cb(AW_window *aww){ AW_root *aw_root = aww->get_root(); char *source = aw_root->awar(AWAR_EXPERIMENT_NAME)->read_string(); char *dest = aw_root->awar(AWAR_EXPERIMENT_DEST)->read_string(); if (strcmp(source, dest) != 0) { GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_experiment_data = EXP_get_current_experiment_data(GLOBAL_gb_main, aww->get_root()); if (!gb_experiment_data) error = "Please select a species first"; else { GBDATA *gb_source = EXP_find_experiment_rel_exp_data(gb_experiment_data, source); GBDATA *gb_dest = EXP_find_experiment_rel_exp_data(gb_experiment_data, dest); if (!gb_source) error = "Please select an experiment"; else if (gb_dest) error = GB_export_errorf("Experiment '%s' already exists", dest); else { GBDATA *gb_name = GB_search(gb_source, "name", GB_STRING); if (!gb_name) error = GB_await_error(); else { error = GB_write_string(gb_name, dest); if (!error) aww->get_root()->awar(AWAR_EXPERIMENT_NAME)->write_string(dest); } } } } error = GB_end_transaction(GLOBAL_gb_main, error); aww->hide_or_notify(error); } free(source); free(dest); } void experiment_copy_cb(AW_window *aww) { char *source = aww->get_root()->awar(AWAR_EXPERIMENT_NAME)->read_string(); char *dest = aww->get_root()->awar(AWAR_EXPERIMENT_DEST)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_experiment_data = EXP_get_current_experiment_data(GLOBAL_gb_main, aww->get_root()); if (!gb_experiment_data) { error = "Please select a species first."; } else { GBDATA *gb_source = EXP_find_experiment_rel_exp_data(gb_experiment_data, source); GBDATA *gb_dest = EXP_find_experiment_rel_exp_data(gb_experiment_data, dest); if (!gb_source) error = "Please select a experiment"; else if (gb_dest) error = GB_export_errorf("Experiment '%s' already exists", dest); else { gb_dest = GB_create_container(gb_experiment_data,"experiment"); if (!gb_dest) error = GB_await_error(); else error = GB_copy(gb_dest, gb_source); if (!error) { error = GBT_write_string(gb_dest, "name", dest); if (!error) aww->get_root()->awar(AWAR_EXPERIMENT_NAME)->write_string(dest); } } } } error = GB_end_transaction(GLOBAL_gb_main, error); aww->hide_or_notify(error); free(source); free(dest); } AW_window *create_experiment_rename_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "RENAME_EXPERIMENT", "EXPERIMENT RENAME"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the experiment"); aws->at("input"); aws->create_input_field(AWAR_EXPERIMENT_DEST,15); aws->at("ok"); aws->callback(experiment_rename_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *create_experiment_copy_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "COPY_EXPERIMENT", "EXPERIMENT COPY"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new experiment"); aws->at("input"); aws->create_input_field(AWAR_EXPERIMENT_DEST,15); aws->at("ok"); aws->callback(experiment_copy_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *create_experiment_create_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "CREATE_EXPERIMENT","EXPERIMENT CREATE"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new experiment"); aws->at("input"); aws->create_input_field(AWAR_EXPERIMENT_DEST,15); aws->at("ok"); aws->callback(experiment_create_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void EXP_map_experiment(AW_root *aw_root, AW_CL scannerid) { GB_transaction dummy(GLOBAL_gb_main); GBDATA *gb_experiment = EXP_get_current_experiment(GLOBAL_gb_main, aw_root); if (gb_experiment) awt_map_arbdb_scanner(scannerid, gb_experiment, 0, CHANGE_KEY_PATH_EXPERIMENTS); } void EXP_create_field_items(AW_window *aws) { aws->insert_menu_topic("exp_reorder_fields", "Reorder fields ...", "R", "spaf_reorder.hlp", AD_F_ALL, AW_POPUP, (AW_CL)NT_create_ad_list_reorder, (AW_CL)&EXP_item_selector); aws->insert_menu_topic("exp_delete_field", "Delete/Hide Field ...", "D", "spaf_delete.hlp", AD_F_ALL, AW_POPUP, (AW_CL)NT_create_ad_field_delete, (AW_CL)&EXP_item_selector); aws->insert_menu_topic("exp_create_field", "Create fields ...", "C", "spaf_create.hlp", AD_F_ALL, AW_POPUP, (AW_CL)NT_create_ad_field_create, (AW_CL)&EXP_item_selector); aws->insert_separator(); aws->insert_menu_topic("exp_unhide_fields", "Show all hidden fields", "S", "scandb.hlp", AD_F_ALL, (AW_CB)awt_experiment_field_selection_list_unhide_all_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_separator(); aws->insert_menu_topic("exp_scan_unknown_fields", "Scan unknown fields", "u", "scandb.hlp", AD_F_ALL, (AW_CB)awt_experiment_field_selection_list_scan_unknown_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_menu_topic("exp_del_unused_fields", "Remove unused fields", "e", "scandb.hlp", AD_F_ALL, (AW_CB)awt_experiment_field_selection_list_delete_unused_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_menu_topic("exp_refresh_fields", "Refresh fields (both)", "f", "scandb.hlp", AD_F_ALL, (AW_CB)awt_experiment_field_selection_list_update_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); } AW_window *EXP_create_experiment_window(AW_root *aw_root) { static AW_window_simple_menu *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple_menu; aws->init( aw_root, "EXPERIMENT_INFORMATION", "EXPERIMENT INFORMATION"); aws->load_xfig("ad_spec.fig"); aws->button_length(8); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("search"); aws->callback(AW_POPUP, (AW_CL)EXP_create_experiment_query_window, 0); aws->create_button("SEARCH","SEARCH","S"); aws->at("help"); aws->callback(AW_POPUP_HELP, (AW_CL)"experiment_info.hlp"); aws->create_button("HELP","HELP","H"); AW_CL scannerid = awt_create_arbdb_scanner(GLOBAL_gb_main, aws, "box",0,"field","enable",AWT_VIEWER,0,"mark",AWT_NDS_FILTER, &EXP_item_selector); ad_global_scannerid = scannerid; ad_global_scannerroot = aws->get_root(); aws->create_menu("EXPERIMENT", "E", "spa_experiment.hlp", AD_F_ALL ); aws->insert_menu_topic("experiment_delete", "Delete", "D","spa_delete.hlp", AD_F_ALL, (AW_CB)experiment_delete_cb, 0, 0); aws->insert_menu_topic("experiment_rename", "Rename ...", "R","spa_rename.hlp", AD_F_ALL, AW_POPUP, (AW_CL)create_experiment_rename_window, 0); aws->insert_menu_topic("experiment_copy", "Copy ...", "y","spa_copy.hlp", AD_F_ALL, AW_POPUP, (AW_CL)create_experiment_copy_window, 0); aws->insert_menu_topic("experiment_create", "Create ...", "C","spa_create.hlp", AD_F_ALL, AW_POPUP, (AW_CL)create_experiment_create_window, 0); aws->insert_separator(); aws->create_menu("FIELDS", "F", "experiment_fields.hlp", AD_F_ALL ); EXP_create_field_items(aws); { Awar_Callback_Info *cb_info = new Awar_Callback_Info(aws->get_root(), AWAR_EXPERIMENT_NAME, EXP_map_experiment, scannerid); // do not delete! AW_detach_information *detach_info = new AW_detach_information(cb_info); // do not delete! cb_info->add_callback(); aws->at("detach"); aws->callback(NT_detach_information_window, (AW_CL)&aws, (AW_CL)cb_info); aws->create_button("DETACH", "DETACH", "D"); detach_info->set_detach_button(aws->get_last_widget()); } // aws->get_root()->awar(AWAR_EXPERIMENT_NAME)->add_callback(EXP_map_experiment,scannerid); aws->show(); EXP_map_experiment(aws->get_root(),scannerid); return (AW_window *)aws; } void EXP_popup_experiment_window(AW_window *aww, AW_CL, AW_CL) { AW_window *aws = EXP_create_experiment_window(aww->get_root()); aws->activate(); } ./arbsrc_9167/GENOM/EXP_interface.hxx0000644012664100000130000000222011213220012017165 0ustar arb_buildcoders// ==================================================================== // // // // File : EXP_interface.hxx // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef EXP_INTERFACE_HXX #define EXP_INTERFACE_HXX extern struct ad_item_selector EXP_item_selector; #else #error EXP_interface.hxx included twice #endif // EXP_INTERFACE_HXX ./arbsrc_9167/GENOM/EXP_local.hxx0000644012664100000130000000305211440743000016334 0ustar arb_buildcoders// ==================================================================== // // // // File : EXP_local.hxx // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef EXP_LOCAL_HXX #define EXP_LOCAL_HXX #ifndef ARB_ASSERT_H #include #endif #define exp_assert(bed) arb_assert(bed) // contains the path to the experiment: "organism_name;experiment_name" // writing this awar has no effect #define AWAR_COMBINED_EXPERIMENT_NAME "tmp/experiment/combined_name" // to create new experiments: #define AWAR_EXPERIMENT_DEST "tmp/experiment/dest" AW_window *EXP_create_experiment_window(AW_root *aw_root); void EXP_popup_experiment_window(AW_window *aww, AW_CL, AW_CL); #else #error EXP_local.hxx included twice #endif // EXP_LOCAL_HXX ./arbsrc_9167/GENOM/EXP_main.cxx0000644012664100000130000001667311440743000016176 0ustar arb_buildcoders// ==================================================================== // // // // File : EXP_main.cxx // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include #include #include class AWT_canvas; #include <../NTREE/nt_cb.hxx> #include "EXP.hxx" #include "EXP_local.hxx" #include "EXP_interface.hxx" #include using namespace std; // ------------------------------------------------------- // void EXP_species_name_changed_cb(AW_root *awr) // ------------------------------------------------------- void EXP_species_name_changed_cb(AW_root */*awr*/) { } // -------------------------------------------------- // void EXP_update_combined_cb(AW_root *awr) // -------------------------------------------------- void EXP_update_combined_cb(AW_root *awr) { char *organism = awr->awar(AWAR_ORGANISM_NAME)->read_string(); char *experiment = awr->awar(AWAR_EXPERIMENT_NAME)->read_string(); const char *combined = GBS_global_string("%s/%s", organism, experiment); awr->awar(AWAR_COMBINED_EXPERIMENT_NAME)->write_string(combined); free(experiment); free(organism); } // ------------------------------------------------------------------- // void EXP_create_awars(AW_root *aw_root, AW_default aw_def) // ------------------------------------------------------------------- void EXP_create_awars(AW_root *aw_root, AW_default /*aw_def*/) { aw_root->awar_string(AWAR_EXPERIMENT_NAME, "" , GLOBAL_gb_main)->add_callback((AW_RCB0)EXP_update_combined_cb); aw_root->awar_string(AWAR_PROTEOM_NAME, "" , GLOBAL_gb_main); aw_root->awar_string(AWAR_PROTEIN_NAME, "" , GLOBAL_gb_main); aw_root->awar_string(AWAR_ORGANISM_NAME, "" , GLOBAL_gb_main)->add_callback((AW_RCB0)EXP_update_combined_cb); aw_root->awar_string(AWAR_COMBINED_EXPERIMENT_NAME, "" , GLOBAL_gb_main); aw_root->awar_string(AWAR_SPECIES_NAME,"",GLOBAL_gb_main)->add_callback((AW_RCB0)EXP_species_name_changed_cb); aw_root->awar_string(AWAR_EXPERIMENT_DEST, "" , GLOBAL_gb_main); } // ----------------------------------------------------------------------------- // class EXP_item_type_species_selector : public awt_item_type_selector // ----------------------------------------------------------------------------- class EXP_item_type_species_selector : public awt_item_type_selector { public: EXP_item_type_species_selector() : awt_item_type_selector(AWT_IT_EXPERIMENT) {} virtual ~EXP_item_type_species_selector() {} virtual const char *get_self_awar() const { return AWAR_COMBINED_EXPERIMENT_NAME; } virtual size_t get_self_awar_content_length() const { return 12 + 1 + 40; // species-name+'/'+experiment_name } virtual void add_awar_callbacks(AW_root *root, void (*f)(AW_root*, AW_CL), AW_CL cl_mask) const { // add callbacks to awars root->awar(get_self_awar())->add_callback(f, cl_mask); } virtual void remove_awar_callbacks(AW_root *root, void (*f)(AW_root*, AW_CL), AW_CL cl_mask) const { // add callbacks to awars root->awar(get_self_awar())->remove_callback(f, cl_mask); } virtual GBDATA *current(AW_root *root) const { // give the current item char *species_name = root->awar(AWAR_ORGANISM_NAME)->read_string(); char *experiment_name = root->awar(AWAR_EXPERIMENT_NAME)->read_string(); GBDATA *gb_experiment = 0; if (species_name[0] && experiment_name[0]) { GB_transaction dummy(GLOBAL_gb_main); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main,species_name); if (gb_species) { gb_experiment = EXP_find_experiment(gb_species, experiment_name); } } free(experiment_name); free(species_name); return gb_experiment; } virtual const char *getKeyPath() const { // give the keypath for items return CHANGE_KEY_PATH_EXPERIMENTS; } }; static EXP_item_type_species_selector item_type_experiment; // ----------------------------------------------------------------------------- // static void EXP_open_mask_window(AW_window *aww, AW_CL cl_id, AW_CL) // ----------------------------------------------------------------------------- static void EXP_open_mask_window(AW_window *aww, AW_CL cl_id, AW_CL) { int id = int(cl_id); const awt_input_mask_descriptor *descriptor = AWT_look_input_mask(id); exp_assert(descriptor); if (descriptor) AWT_initialize_input_mask(aww->get_root(), GLOBAL_gb_main, &item_type_experiment, descriptor->get_internal_maskname(), descriptor->is_local_mask()); } // ----------------------------------------------------------------------- // static void GEN_create_mask_submenu(AW_window_menu_modes *awm) // ----------------------------------------------------------------------- static void EXP_create_mask_submenu(AW_window_menu_modes *awm) { AWT_create_mask_submenu(awm, AWT_IT_EXPERIMENT, EXP_open_mask_window); } static AW_window *EXP_create_experiment_colorize_window(AW_root *aw_root) { return awt_create_item_colorizer(aw_root, GLOBAL_gb_main, &EXP_item_selector); } #define AWMIMT awm->insert_menu_topic // ------------------------------------------------------------------------------------- // void EXP_create_experiments_submenu(AW_window_menu_modes *awm, bool submenu) // ------------------------------------------------------------------------------------- void EXP_create_experiments_submenu(AW_window_menu_modes *awm, bool submenu) { const char *title = "Experiment"; const char *hotkey = "x"; if (submenu) awm->insert_sub_menu(title, hotkey); else awm->create_menu(title, hotkey, "no.hlp", AWM_ALL); { AWMIMT( "experiment_info", "Experiment information", "i", "experiment_info.hlp", AWM_ALL,EXP_popup_experiment_window, 0, 0); // AWMIMT( "experiment_info", "Experiment information", "i", "experiment_info.hlp", AWM_ALL,AW_POPUP, (AW_CL)EXP_create_experiment_window, 0 ); AWMIMT( "experiment_search", "Search and query", "q", "experiment_search.hlp", AWM_ALL,AW_POPUP, (AW_CL)EXP_create_experiment_query_window, 0 ); EXP_create_mask_submenu(awm); awm->insert_separator(); AWMIMT( "experiment_colors", "Colors ...", "C", "mark_colors.hlp", AWM_ALL,AW_POPUP, (AW_CL)EXP_create_experiment_colorize_window, 0); #if defined(DEBUG) awm->insert_separator(); AWMIMT("pgt", "[debug-only] Proteom Genome Toolkit (PGT)", "P", "pgt.hlp", AWM_ALL, NT_system_cb, (AW_CL)"arb_pgt &", 0); #endif // DEVEL_KAI } if (submenu) awm->close_sub_menu(); } ./arbsrc_9167/GENOM/GEN_color_groups.cxx0000644012664100000130000000073211440743000017731 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #include "GEN_color_groups.hxx" using namespace std; ./arbsrc_9167/GENOM/GEN_color_groups.hxx0000644012664100000130000000111311440743000017730 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_COLOR_GROUPS_HXX #define GEN_COLOR_GROUPS_HXX #define GENE_COLOR_GROUPS 10 #else #error GEN_color_groups.hxx included twice #endif // GEN_COLOR_GROUPS_HXX ./arbsrc_9167/GENOM/GEN_gene.cxx0000644012664100000130000002155011440743000016133 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #include #include #include #include #include #include #include #include #include "GEN.hxx" #include "GEN_gene.hxx" #include "GEN_local.hxx" #include "GEN_nds.hxx" // Standard fields of a gb_gene entry: // ----------------------------------- // name = short name of gene (unique in one species) // type = type of gene (e.g. 'gene', 'CDS', 'tRNA', 'misc_feature') // pos_start = start-position(s) of gene(-parts); range is 1...genomeLength // pos_stop = end-position(s) of gene(-parts); range is 1...genomeLength // pos_certain = contains pairs of chars (1. for start-pos, 2. for end-pos) // // '=' means 'pos is exact' // '<' means 'pos may be lower' // '>' means 'pos may be higher' // '+' means 'pos is directly behind' // '-' means 'pos is directly before' // // if pos_certain is missing -> like '==' // // pos_complement = 1 -> CDS is on opposite strand // fields for splitted genes: // -------------------------- // pos_joined = xxx -> gene consists of abs(xxx) parts (if missing xxx == 1 is assumed) // // if abs(xxx)>1, the gene consists of several parts. // In that case the fields 'pos_start', 'pos_stop', 'pos_certain' and 'pos_complement' // contain multiple comma-separated values - one for each joined part. // // if xxx is < -1, then joining the parts does not make sense (or nothing is known about it) // // Note: Please do not access these fields manually - use GEN_read_position! // other fields added by importer: // ------------------------------- // // During import ARB tries to reproduce existing translations. // If it succeeds, it removes the translation. // // ARB_translation = written if ARB translation differs from original translation // (original translation is not deleted in this case) // ARB_translation_note = additional info about failed translation // ARB_translation_rm = 1 -> translation was reproduced and deleted // // if a gene with type 'gene' exists and another gene with different type, but // identical location exists as well, ARB sets ARB_display_hidden to 1 for // the 'gene'. For the other gene with diff. type ARB sets a reference to the // hidden 'gene': // // ARB_is_gene = shortname of related hidden gene // fields used for display: // ------------------------ // ARB_display_hidden = 1 -> do not display this gene (depends on AWAR_GENMAP_SHOW_HIDDEN too) // ARB_color = color group // Old format standard fields of a gb_gene entry: // ---------------------------------------------- // name = short name of gene (unique in one species) // pos_begin = start-position of gene // pos_end = end-position of gene // pos_uncertain = contains 2 chars (1. for start-pos, 2. for end-pos); = means 'pos is exact'; < means 'pos may be lower'; > means 'pos may be higher'; missing -> like == // complement = 1 -> encoding from right to left // // fields for splitted genes: // -------------------------- // pos_joined = xxx -> gene consists of xxx parts (may not exist if xxx == 1) // pos_beginxxx, pos_endxxx = start-/end-positions for parts 2...n // pos_uncertainxxx = like above for parts 2...n // using namespace std; static const GEN_position *loadPositions4gene(GBDATA *gb_gene) { static GEN_position *loaded_position = 0; static GBDATA *positionLoaded4gene = 0; if (positionLoaded4gene != gb_gene) { if (loaded_position) { GEN_free_position(loaded_position); loaded_position = 0; positionLoaded4gene = 0; } if (gb_gene) { loaded_position = GEN_read_position(gb_gene); if (loaded_position) positionLoaded4gene = gb_gene; } } return loaded_position; } // ---------------------------------------------------------- // GEN_gene::init(GBDATA *gb_gene_, GEN_root *root_) // ---------------------------------------------------------- void GEN_gene::init(GBDATA *gb_gene_, GEN_root *root_) { gb_gene = gb_gene_; root = root_; name = GBT_read_name(gb_gene); GBDATA *gbd = GB_entry(gb_gene, "complement"); complement = gbd ? GB_read_byte(gbd) == 1 : false; } void GEN_gene::load_location(int part, const GEN_position *location) { gen_assert(part >= 1); gen_assert(part <= location->parts); pos1 = location->start_pos[part-1]; pos2 = location->stop_pos[part-1]; complement = location->complement[part-1]; gen_assert(pos1 <= pos2); } GEN_gene::GEN_gene(GBDATA *gb_gene_, GEN_root *root_, const GEN_position *location) { init(gb_gene_, root_); load_location(1, location); nodeInfo = GEN_make_node_text_nds(root->GbMain(), gb_gene, 0); } GEN_gene::GEN_gene(GBDATA *gb_gene_, GEN_root *root_, const GEN_position *location, int partNumber) { // partNumber 1..n which part of a splitted gene // maxParts 1..n of how many parts consists this gene? init(gb_gene_, root_); load_location(partNumber, location); { char buffer[30]; sprintf(buffer, " (%i/%i)", partNumber, location->parts); nodeInfo = name+buffer; } } void GEN_gene::reinit_NDS() const { nodeInfo = GEN_make_node_text_nds(root->GbMain(), gb_gene, 0); } // ----------------- // GEN_root // ----------------- GEN_root::GEN_root(const char *organism_name_, const char *gene_name_, GBDATA *gb_main_, AW_root *aw_root, GEN_graphic *gen_graphic_) : gb_main(gb_main_) , gen_graphic(gen_graphic_) , organism_name(organism_name_) , gene_name(gene_name_) , error_reason("") , length(-1) , gb_gene_data(0) { GB_transaction dummy(gb_main); GBDATA *gb_organism = GBT_find_species(gb_main, organism_name.c_str()); if (!gb_organism) { error_reason = strdup("Please select a species."); } else { GBDATA *gb_data = GBT_read_sequence(gb_organism, GENOM_ALIGNMENT); if (!gb_data) { error_reason = GBS_global_string_copy("'%s' has no data in '%s'", organism_name.c_str(), GENOM_ALIGNMENT); } else { length = GB_read_count(gb_data); gb_gene_data = GEN_find_gene_data(gb_organism); GBDATA *gb_gene = gb_gene_data ? GEN_first_gene_rel_gene_data(gb_gene_data) : 0; if (!gb_gene) { error_reason = GBS_global_string("Species '%s' has no gene-information", organism_name.c_str()); } else { bool show_hidden = aw_root->awar(AWAR_GENMAP_SHOW_HIDDEN)->read_int() != 0; while (gb_gene) { bool show_this = show_hidden; if (!show_this) { GBDATA *gbd = GB_entry(gb_gene, ARB_HIDDEN); if (!gbd || !GB_read_byte(gbd)) { // gene is not hidden show_this = true; } } if (show_this) { const GEN_position *location = loadPositions4gene(gb_gene); if (!location) { GB_ERROR warning = GB_await_error(); char *id = GEN_global_gene_identifier(gb_gene, gb_organism); aw_message(GBS_global_string("Can't load gene '%s':\nReason: %s", id, warning)); free(id); } else { int parts = location->parts; if (parts == 1) { gene_set.insert(GEN_gene(gb_gene, this, location)); } else { // joined gene for (int p = 1; p <= parts; ++p) { gene_set.insert(GEN_gene(gb_gene, this, location, p)); } } } } gb_gene = GEN_next_gene(gb_gene); } } } } } void GEN_root::reinit_NDS() const { GEN_iterator end = gene_set.end(); for (GEN_iterator gene = gene_set.begin(); gene != end; ++gene) { gene->reinit_NDS(); } } ./arbsrc_9167/GENOM/GEN_gene.hxx0000644012664100000130000000715611440743000016146 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_GENE_HXX #define GEN_GENE_HXX #ifndef __SET__ #include #endif #ifndef __STRING__ #include #endif // ---------------------------------------- // display classes for ARB_GENE_MAP: // ---------------------------------------- class GEN_root; class GEN_graphic; struct GEN_position; // ----------------------- // class GEN_gene // ----------------------- class GEN_gene { private: GBDATA *gb_gene; GEN_root *root; std::string name; mutable std::string nodeInfo; long pos1; long pos2; bool complement; // int level; // on which "level" the gene is printed // Note: if a gene is joined from several parts it is represented in several GEN_gene's! void init(GBDATA *gb_gene_, GEN_root *root_); void load_location(int part, const GEN_position *location); public: GEN_gene(GBDATA *gb_gene_, GEN_root *root_, const GEN_position *location); GEN_gene(GBDATA *gb_gene_, GEN_root *root_, const GEN_position *location, int partNumber); ~GEN_gene() {} inline bool operator<(const GEN_gene& other) const { long cmp = pos1-other.pos1; if (cmp) cmp = pos2-other.pos2; return cmp<0; } long StartPos() const { return pos1; } // first position of gene (1..n) long EndPos() const { return pos2; } // last position of gene (1..n) long Length() const { return pos2-pos1+1; } bool Complement() const { return complement; } // int Level() const { return level; } const std::string& NodeInfo() const { return nodeInfo; } const std::string& Name() const { return name; } // returns the short name of the gene const GBDATA *GbGene() const { return gb_gene; } GEN_root *Root() { return root; } void reinit_NDS() const; }; typedef std::multiset GEN_gene_set; typedef GEN_gene_set::iterator GEN_iterator; // ----------------------- // class GEN_root // ----------------------- class GEN_root { private: GBDATA *gb_main; GEN_graphic *gen_graphic; std::string organism_name; // name1 of current species // (in case of a pseudo gene-species this is the name of the species it originated from) std::string gene_name; // name of current gene GEN_gene_set gene_set; std::string error_reason; // reason why we can't display gene_map long length; // length of organism sequence GBDATA *gb_gene_data; // i am build upon this AW_world selected_range; // draw-range of selected gene (set by paint, used by GEN_jump_cb) public: GEN_root(const char *organism_name_, const char *gene_name_, GBDATA *gb_main_, AW_root *aw_root, GEN_graphic *gen_graphic_); ~GEN_root() {} const std::string& GeneName() const { return gene_name; } const std::string& OrganismName() const { return organism_name; } GBDATA *GbMain() { return gb_main; } void set_GeneName(const std::string& gene_name_) { gene_name = gene_name_; } void paint(AW_device *device); void reinit_NDS() const; const AW_world& get_selected_range() const { return selected_range; } }; #else #error GEN_gene.hxx included twice #endif // GEN_GENE_HXX ./arbsrc_9167/GENOM/GEN_graphic.cxx0000644012664100000130000004453111440743000016636 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include "GEN_local.hxx" #include "GEN_gene.hxx" #include "GEN_graphic.hxx" #include #include #include #include #include #include using namespace std; // ------------------- // GEN_graphic // ------------------- GEN_graphic::GEN_graphic(AW_root *aw_root_, GBDATA *gb_main_, GEN_graphic_cb_installer callback_installer_, int window_nr_) : aw_root(aw_root_) , gb_main(gb_main_) , callback_installer(callback_installer_) , window_nr(window_nr_) , gen_root(0) , want_zoom_reset(false) { exports.dont_fit_x = 0; exports.dont_fit_y = 0; exports.left_offset = 10; exports.right_offset = 30; exports.top_offset = 5; exports.bottom_offset = 5; exports.dont_scroll = 0; rot_ct.exists = false; rot_cl.exists = false; set_display_style(GEN_DisplayStyle(aw_root->awar(AWAR_GENMAP_DISPLAY_TYPE(window_nr))->read_int())); } GEN_graphic::~GEN_graphic() { } AW_gc_manager GEN_graphic::init_devices(AW_window *aww, AW_device *device, AWT_canvas *ntw, AW_CL cd2) { disp_device = device; AW_gc_manager preset_window = AW_manage_GC(aww, device, GEN_GC_FIRST_FONT, GEN_GC_MAX, AW_GCM_DATA_AREA, (AW_CB)AWT_resize_cb, (AW_CL)ntw, cd2, true, // define color groups "#55C0AA", "Default$#5555ff", "Gene$#000000", "Marked$#ffff00", "Cursor$#ff0000", NULL); return preset_window; } void GEN_graphic::show(AW_device *device) { if (gen_root) { #if defined(DEBUG) && 0 fprintf(stderr, "GEN_graphic::show\n"); #endif // DEBUG gen_root->paint(device); } else { device->line(GEN_GC_DEFAULT, -100,-100,100,100); device->line(GEN_GC_DEFAULT, -100,100,100,-100); } } int GEN_graphic::check_update(GBDATA *) { // if check_update returns >0 -> zoom_reset is done int do_zoom_reset = want_zoom_reset; want_zoom_reset = false; return do_zoom_reset; } void GEN_graphic::info(AW_device *device, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct) { aw_message("INFO MESSAGE"); AWUSE(device); AWUSE(x); AWUSE(y); AWUSE(cl); AWUSE(ct); } void GEN_graphic::command(AW_device *device, AWT_COMMAND_MODE cmd, int button, AW_key_mod /*key_modifier*/, AW_key_code /*key_code*/, char /*key_char*/, AW_event_type type, AW_pos screen_x, AW_pos screen_y, AW_clicked_line *cl, AW_clicked_text *ct) { AW_pos world_x; AW_pos world_y; device->rtransform(screen_x, screen_y, world_x, world_y); if (type == AW_Mouse_Press) { switch (cmd) { case AWT_MODE_ZOOM: { break; } case AWT_MODE_SELECT: case AWT_MODE_MOD: { if(button==AWT_M_LEFT) { GEN_gene *gene = 0; if (ct) gene = (GEN_gene*)ct->client_data1; if (cl) gene = (GEN_gene*)cl->client_data1; if (gene) { GB_transaction dummy(gb_main); aw_root->awar(AWAR_LOCAL_GENE_NAME(window_nr))->write_string(gene->Name().c_str()); if (cmd == AWT_MODE_MOD) { GEN_create_gene_window(aw_root)->activate(); } } } break; } default: { gen_assert(0); break; } } } } inline void clear_selected_range(AW_world& selected_range) { selected_range.r = selected_range.b = INT_MIN; selected_range.l = selected_range.t = INT_MAX; } inline void increase_selected_range(AW_world& selected_range, AW_pos x, AW_pos y) { if (xselected_range.r) selected_range.r = x; if (yselected_range.b) selected_range.b = y; } inline void increase_selected_range(AW_world& selected_range, AW_pos x1, AW_pos y1, AW_pos x2, AW_pos y2) { increase_selected_range(selected_range, x1, y1); increase_selected_range(selected_range, x2, y2); } inline int smart_text(AW_world& selected_range, AW_device *device, int gc, const char *str,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2,long opt_strlen) { int res = device->text(gc, str, x, y, alignment, filteri, cd1, cd2, opt_strlen); if (gc == GEN_GC_CURSOR) { #if defined(DEVEL_RALF) #warning implementation missing #endif // DEVEL_RALF // @@@ FIXME: detect text size and increase_selected_range } return res; } inline int smart_line(AW_world& selected_range, AW_device *device, int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { int res = device->line(gc, x0, y0, x1, y1, filteri, cd1, cd2); if (gc == GEN_GC_CURSOR) increase_selected_range(selected_range, x0, y0, x1, y1); return res; } enum PaintWhat { PAINT_MIN, PAINT_NORMAL = PAINT_MIN, PAINT_COLORED, PAINT_MARKED, PAINT_SELECTED, PAINT_MAX = PAINT_SELECTED, }; inline bool getDrawGcs(GEN_iterator& gene, PaintWhat what, const string& curr_gene_name, int& draw_gc, int& text_gc) { bool draw = false; if (curr_gene_name == gene->Name()) { // current gene draw_gc = text_gc = GEN_GC_CURSOR; draw = (what == PAINT_SELECTED); } else { GBDATA *gb_gene = (GBDATA*)gene->GbGene(); if (GB_read_flag(gb_gene)) { // marked genes draw_gc = text_gc = GEN_GC_MARKED; draw = (what == PAINT_MARKED); } else { int color_group = AWT_gene_get_dominant_color(gb_gene); // int color_group = AW_find_color_group(gb_gene); if (color_group) { draw_gc = text_gc = GEN_GC_FIRST_COLOR_GROUP+color_group-1; draw = (what == PAINT_COLORED); } else { draw_gc = GEN_GC_GENE; text_gc = GEN_GC_DEFAULT; // see show_all_nds in GEN_root::paint if you change this!!! draw = (what == PAINT_NORMAL); } } } return draw; } void GEN_root::paint(AW_device *device) { if (error_reason.length()) { device->text(GEN_GC_DEFAULT, error_reason.c_str(), 0, 0, 0.0, -1, 0, 0, 0); return; } clear_selected_range(selected_range); AW_root *aw_root = gen_graphic->get_aw_root(); int arrow_size = aw_root->awar(AWAR_GENMAP_ARROW_SIZE)->read_int(); int show_all_nds = aw_root->awar(AWAR_GENMAP_SHOW_ALL_NDS)->read_int(); for (PaintWhat paint_what = PAINT_MIN; paint_what <= PAINT_MAX; paint_what = PaintWhat((int(paint_what)+1))) { switch (gen_graphic->get_display_style()) { case GEN_DISPLAY_STYLE_RADIAL: { double w0 = 2.0*M_PI/double(length); double mp2 = M_PI/2; double inside = aw_root->awar(AWAR_GENMAP_RADIAL_INSIDE)->read_float()*1000; double outside = aw_root->awar(AWAR_GENMAP_RADIAL_OUTSIDE)->read_float(); GEN_iterator curr = gene_set.begin(); GEN_iterator end = gene_set.end(); while (curr != end) { int draw_gc, text_gc; if (getDrawGcs(curr, paint_what, gene_name, draw_gc, text_gc)) { // if (paint_what || text_gc != GEN_GC_DEFAULT) { double w = w0*curr->StartPos()-mp2; double sinw = sin(w); double cosw = cos(w); int len = curr->Length(); int xi = int(cosw*inside+0.5); int yi = int(sinw*inside+0.5); int xo = xi+int(cosw*outside*len+0.5); int yo = yi+int(sinw*outside*len+0.5); if (show_all_nds || text_gc != GEN_GC_DEFAULT) { smart_text(selected_range, device, text_gc, curr->NodeInfo().c_str(), xo+20, yo, 0.0, -1, (AW_CL)(&*curr), 0, 0); } smart_line(selected_range, device, draw_gc, xi, yi, xo, yo, -1, (AW_CL)(&*curr), 0); int sa = int(sinw*arrow_size+0.5); int ca = int(cosw*arrow_size+0.5); if (curr->Complement()) { int xa = xi-sa+ca; int ya = yi+ca+sa; smart_line(selected_range, device, draw_gc, xi, yi, xa, ya, -1, (AW_CL)(&*curr), 0); } else { int xa = xo+sa-ca; int ya = yo-ca-sa; smart_line(selected_range, device, draw_gc, xo, yo, xa, ya, -1, (AW_CL)(&*curr), 0); } } ++curr; } break; } case GEN_DISPLAY_STYLE_VERTICAL: { double factor_x = aw_root->awar(AWAR_GENMAP_VERTICAL_FACTOR_X)->read_float(); double factor_y = aw_root->awar(AWAR_GENMAP_VERTICAL_FACTOR_Y)->read_float(); int arrow_x = int(factor_x*arrow_size); int arrow_y = int(factor_y*arrow_size); GEN_iterator curr = gene_set.begin(); GEN_iterator end = gene_set.end(); while (curr != end) { int draw_gc, text_gc; if (getDrawGcs(curr, paint_what, gene_name, draw_gc, text_gc)) { int y = int(curr->StartPos()*factor_y+0.5); int x2 = int(curr->Length()*factor_x+0.5); if (show_all_nds || text_gc != GEN_GC_DEFAULT) { smart_text(selected_range, device, text_gc, curr->NodeInfo().c_str(), x2+20, y, 0.0, -1, (AW_CL)(&*curr), 0, 0); } smart_line(selected_range, device, draw_gc, 0, y, x2, y, -1, (AW_CL)(&*curr), 0); if (curr->Complement()) { smart_line(selected_range, device, draw_gc, 0, y, arrow_x, y-arrow_y, -1, (AW_CL)(&*curr), 0); } else { smart_line(selected_range, device, draw_gc, x2, y, x2-arrow_x, y-arrow_y, -1, (AW_CL)(&*curr), 0); } } ++curr; } break; } case GEN_DISPLAY_STYLE_BOOK: { int display_width = aw_root->awar(AWAR_GENMAP_BOOK_BASES_PER_LINE)->read_int(); double width_factor = aw_root->awar(AWAR_GENMAP_BOOK_WIDTH_FACTOR)->read_float(); int line_height = aw_root->awar(AWAR_GENMAP_BOOK_LINE_HEIGHT)->read_int(); int line_space = aw_root->awar(AWAR_GENMAP_BOOK_LINE_SPACE)->read_int(); int height_of_line = line_height+line_space; int xLeft = 0; int xRight = int(display_width*width_factor+0.5); int arrowMid = line_height/2; GEN_iterator curr = gene_set.begin(); GEN_iterator end = gene_set.end(); while (curr != end) { int draw_gc, text_gc; if (getDrawGcs(curr, paint_what, gene_name, draw_gc, text_gc)) { int line1 = curr->StartPos()/display_width; int line2 = curr->EndPos() /display_width; int x1 = int((curr->StartPos()-line1*display_width)*width_factor+0.5); int x2 = int((curr->EndPos() -line2*display_width)*width_factor+0.5); int y1 = line1*height_of_line; int y1o = y1-line_height; if (line1 == line2) { // whole gene in one book-line smart_line(selected_range, device, draw_gc, x1, y1, x1, y1o, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x2, y1, x2, y1o, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x1, y1, x2, y1, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x1, y1o, x2, y1o, -1, (AW_CL)(&*curr), 0); if (show_all_nds || text_gc != GEN_GC_DEFAULT) smart_text(selected_range, device, text_gc, curr->NodeInfo().c_str(), x1+2, y1-2, 0.0, -1, (AW_CL)(&*curr), 0, 0); if (curr->Complement()) { smart_line(selected_range, device, draw_gc, x2, y1o, x2-arrowMid, y1o+arrowMid, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x2, y1, x2-arrowMid, y1o+arrowMid, -1, (AW_CL)(&*curr), 0); } else { smart_line(selected_range, device, draw_gc, x1, y1o, x1+arrowMid, y1o+arrowMid, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x1, y1, x1+arrowMid, y1o+arrowMid, -1, (AW_CL)(&*curr), 0); } } else { int y2 = line2*height_of_line; int y2o = y2-line_height; // upper line (don't draw right border) smart_line(selected_range, device, draw_gc, x1, y1, x1, y1o, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x1, y1, xRight, y1, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x1, y1o, xRight, y1o, -1, (AW_CL)(&*curr), 0); if (show_all_nds || text_gc != GEN_GC_DEFAULT) smart_text(selected_range, device, text_gc, curr->NodeInfo().c_str(), x1+2, y1-2, 0.0, -1, (AW_CL)(&*curr), 0, 0); // lower line (don't draw left border) smart_line(selected_range, device, draw_gc, x2, y2, x2, y2o, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, xLeft, y2, x2, y2, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, xLeft, y2o, x2, y2o, -1, (AW_CL)(&*curr), 0); if (show_all_nds || text_gc != GEN_GC_DEFAULT) smart_text(selected_range, device, text_gc, curr->NodeInfo().c_str(), xLeft+2, y2-2, 0.0, -1, (AW_CL)(&*curr), 0, 0); if (curr->Complement()) { smart_line(selected_range, device, draw_gc, x2, y2o, x2-arrowMid, y2o+arrowMid, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x2, y2, x2-arrowMid, y2o+arrowMid, -1, (AW_CL)(&*curr), 0); } else { smart_line(selected_range, device, draw_gc, x1, y1o, x1+arrowMid, y1o+arrowMid, -1, (AW_CL)(&*curr), 0); smart_line(selected_range, device, draw_gc, x1, y1, x1+arrowMid, y1o+arrowMid, -1, (AW_CL)(&*curr), 0); } } } ++curr; } break; } default: { gen_assert(0); break; } } } } void GEN_graphic::delete_gen_root(AWT_canvas *ntw) { callback_installer(false, ntw, this); delete gen_root; gen_root = 0; } void GEN_graphic::reinit_gen_root(AWT_canvas *ntw, bool force_reinit) { char *organism_name = aw_root->awar(AWAR_LOCAL_ORGANISM_NAME(window_nr))->read_string(); char *gene_name = aw_root->awar(AWAR_LOCAL_GENE_NAME(window_nr))->read_string(); if (gen_root) { if (force_reinit || (gen_root->OrganismName() != string(organism_name))) { if (gen_root->OrganismName().length() == 0) { want_zoom_reset = true; // no organism was displayed before } delete_gen_root(ntw); } if (gen_root && gen_root->GeneName() != string(gene_name)) { gen_root->set_GeneName(gene_name); } } if (!gen_root) { gen_root = new GEN_root(organism_name, gene_name, gb_main, aw_root, this); callback_installer(true, ntw, this); } free(organism_name); free(gene_name); } void GEN_graphic::set_display_style(GEN_DisplayStyle type) { style = type; switch (style) { case GEN_DISPLAY_STYLE_RADIAL: { exports.dont_fit_x = 0; exports.dont_fit_y = 0; exports.dont_fit_larger = 0; break; } case GEN_DISPLAY_STYLE_VERTICAL: { exports.dont_fit_x = 0; exports.dont_fit_y = 1; exports.dont_fit_larger = 0; break; } case GEN_DISPLAY_STYLE_BOOK: { exports.dont_fit_x = 0; exports.dont_fit_y = 1; exports.dont_fit_larger = 0; break; } default: { gen_assert(0); break; } } want_zoom_reset = true; } ./arbsrc_9167/GENOM/GEN_graphic.hxx0000644012664100000130000000563611440743000016646 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_GRAPHIC_HXX #define GEN_GRAPHIC_HXX #include enum { GEN_GC_DEFAULT = 0, GEN_GC_FIRST_FONT = GEN_GC_DEFAULT, GEN_GC_GENE, GEN_GC_MARKED, GEN_GC_CURSOR, GEN_GC_LAST_FONT = GEN_GC_CURSOR, GEN_GC_FIRST_COLOR_GROUP, GEN_GC_MAX = GEN_GC_FIRST_COLOR_GROUP+AW_COLOR_GROUPS }; // AW_gc typedef enum { GEN_DISPLAY_STYLE_RADIAL, GEN_DISPLAY_STYLE_BOOK, GEN_DISPLAY_STYLE_VERTICAL, GEN_DISPLAY_STYLES // counter } GEN_DisplayStyle; // ----------------------------------------------- // class GEN_graphic : public AWT_graphic // ----------------------------------------------- typedef void (*GEN_graphic_cb_installer)(bool install, AWT_canvas*, GEN_graphic*); class GEN_graphic : public AWT_nonDB_graphic { AW_root *aw_root; GBDATA *gb_main; GEN_graphic_cb_installer callback_installer; int window_nr; GEN_root *gen_root; GEN_DisplayStyle style; bool want_zoom_reset; // true -> do zoom reset on next refresh void delete_gen_root(AWT_canvas *ntw); protected: // variables - tree compatibility AW_clicked_line rot_cl; AW_clicked_text rot_ct; AW_clicked_line old_rot_cl; AW_device *disp_device; // device for recursive functions public: GEN_graphic(AW_root *aw_root, GBDATA *gb_main, GEN_graphic_cb_installer callback_installer_, int window_nr_); virtual ~GEN_graphic(); void reinit_gen_root(AWT_canvas *ntw, bool force_reinit); void set_display_style(GEN_DisplayStyle type); GEN_DisplayStyle get_display_style() const { return style; } virtual AW_gc_manager init_devices(AW_window *,AW_device *,AWT_canvas *ntw,AW_CL); virtual void show(AW_device *device); virtual void info(AW_device *device, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct); virtual void command(AW_device *device, AWT_COMMAND_MODE cmd, int button, AW_key_mod key_modifier, AW_key_code key_code, char key_char, AW_event_type type, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct); virtual int check_update(GBDATA *gbdummy); AW_root *get_aw_root() const { return aw_root; } GBDATA *get_gb_main() const { return gb_main; } const GEN_root *get_gen_root() const { return gen_root; } AW_device *get_device() const { return disp_device; } }; #else #error GEN_graphic.hxx included twice #endif // GEN_GRAPHIC_HXX ./arbsrc_9167/GENOM/GEN.hxx0000644012664100000130000000377411440743000015152 0ustar arb_buildcoders#ifndef GEN_HXX #define GEN_HXX #ifndef ARBDB_H #include #endif #ifndef AW_WINDOW_HXX #include #endif #ifndef ADGENE_H #include #endif class AWT_canvas; // -------------------------------------------------------------------------------- // this header is visible ARB-wide (so here are only things needed somewhere else) // see GEN_local.hxx for local stuff // -------------------------------------------------------------------------------- // -------------------------------------------------------------------------------- // awars: #define AWAR_GENE_NAME "tmp/gene/name" void GEN_create_awars(AW_root *aw_root, AW_default aw_def); // -------------------------------------------------------------------------------- // windows/menus: AW_window *GEN_create_gene_window(AW_root *aw_root); void GEN_popup_gene_window(AW_window *aww, AW_CL, AW_CL); // preferred over GEN_create_gene_window AW_window *GEN_create_gene_query_window(AW_root *aw_root); AW_window *GEN_map_first(AW_root *aw_root); void GEN_create_genes_submenu(AW_window_menu_modes *awm, bool for_ARB_NTREE); // -------------------------------------------------------------------------------- // genes: GBDATA* GEN_get_current_organism(GBDATA *gb_main, AW_root *aw_root); // uses AWAR_ORGANISM_NAME GBDATA* GEN_get_current_gene_data(GBDATA *gb_main, AW_root *aw_root); // uses AWAR_ORGANISM_NAME GBDATA* GEN_get_current_gene(GBDATA *gb_main, AW_root *aw_root); // searches the current gene (using AWAR_ORGANISM_NAME and AWAR_GENE_NAME) // -------------------------------------------------------------------------------- // toolkit: void GEN_select_gene(GBDATA* gb_main, AW_root *aw_root, const char *item_name); class AW_repeated_question; GB_ERROR GEN_testAndRemoveTranslations(GBDATA *gb_gene_data, void (*warn )(AW_CL cd, const char *msg ), AW_CL cd, AW_repeated_question *ok_to_ignore_wrong_start_codon); struct ad_item_selector; ad_item_selector *GEN_get_selector(); // return GEN_item_selector #endif // GEN_HXX ./arbsrc_9167/GENOM/GEN_interface.cxx0000644012664100000130000006213311440743000017157 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include <../NTREE/ad_spec.hxx> #include <../NTREE/nt_internal.h> #ifndef GEN_LOCAL_HXX #include "GEN_local.hxx" #endif #ifndef GEN_NDS_HXX #include "GEN_nds.hxx" #endif using namespace std; // -------------------------------------------------------------------------------- #define AD_F_ALL (AW_active)(-1) // -------------------------------------------------------------------------------- void GEN_select_gene(GBDATA* /*gb_main*/, AW_root *aw_root, const char *item_name) { char *organism = strdup(item_name); char *gene = strchr(organism, '/'); if (gene) { *gene++ = 0; aw_root->awar(AWAR_ORGANISM_NAME)->write_string(organism); aw_root->awar(AWAR_GENE_NAME)->write_string(gene); } else if (!item_name[0]) { // accept empty input -> deselect gene/organism aw_root->awar(AWAR_GENE_NAME)->write_string(""); aw_root->awar(AWAR_ORGANISM_NAME)->write_string(""); } else { aw_message(GBS_global_string("Illegal item_name '%s' in GEN_select_gene()", item_name)); } free(organism); } static char *gen_get_gene_id(GBDATA */*gb_main*/, GBDATA *gb_gene) { GBDATA *gb_species = GB_get_grandfather(gb_gene); return GBS_global_string_copy("%s/%s", GBT_read_name(gb_species), GBT_read_name(gb_gene)); } static GBDATA *gen_find_gene_by_id(GBDATA *gb_main, const char *id) { char *organism = strdup(id); char *gene = strchr(organism, '/'); GBDATA *result = 0; if (gene) { *gene++ = 0; GBDATA *gb_organism = GEN_find_organism(gb_main, organism); if (gb_organism) { result = GEN_find_gene(gb_organism, gene); } } free(organism); return result; } extern "C" GB_ERROR GEN_mark_organism_or_corresponding_organism(GBDATA *gb_species, int *client_data) { AWUSE(client_data); GB_ERROR error = 0; if (GEN_is_pseudo_gene_species(gb_species)) { GBDATA *gb_organism = GEN_find_origin_organism(gb_species, 0); if (gb_organism) { GB_write_flag(gb_organism, 1); } else { error = GEN_organism_not_found(gb_species); } } else if (GEN_is_organism(gb_species)) { GB_write_flag(gb_species, 1); } return error; } static char *old_species_marks = 0; // configuration storing marked species inline void gen_restore_old_species_marks() { if (old_species_marks) { GBT_restore_marked_species(GLOBAL_gb_main, old_species_marks); freeset(old_species_marks, 0); } } static GBDATA *GEN_get_first_gene_data(GBDATA *gb_main, AW_root *aw_root, AWT_QUERY_RANGE range) { GBDATA *gb_organism = 0; GB_ERROR error = 0; gen_restore_old_species_marks(); switch (range) { case AWT_QUERY_CURRENT_SPECIES: { char *species_name = aw_root->awar(AWAR_ORGANISM_NAME)->read_string(); gb_organism = GEN_find_organism(gb_main, species_name); free(species_name); break; } case AWT_QUERY_MARKED_SPECIES: { gb_organism = GEN_first_marked_organism(gb_main); GBDATA *gb_pseudo = GEN_first_marked_pseudo_species(gb_main); if (gb_pseudo) { // there are marked pseudo-species.. old_species_marks = GBT_store_marked_species(gb_main, 1); // store and unmark marked species error = GBT_with_stored_species(gb_main, old_species_marks, GEN_mark_organism_or_corresponding_organism, 0); // mark organisms related with stored if (!error) gb_organism = GEN_first_marked_organism(gb_main); } break; } case AWT_QUERY_ALL_SPECIES: { gb_organism = GEN_first_organism(gb_main); break; } default: { gen_assert(0); break; } } if (error) GB_export_error(error); return gb_organism ? GEN_expect_gene_data(gb_organism) : 0; } static GBDATA *GEN_get_next_gene_data(GBDATA *gb_gene_data, AWT_QUERY_RANGE range) { GBDATA *gb_organism = 0; switch (range) { case AWT_QUERY_CURRENT_SPECIES: { break; } case AWT_QUERY_MARKED_SPECIES: { GBDATA *gb_last_organism = GB_get_father(gb_gene_data); gb_organism = GEN_next_marked_organism(gb_last_organism); if (!gb_organism) gen_restore_old_species_marks(); // got all -> clean up break; } case AWT_QUERY_ALL_SPECIES: { GBDATA *gb_last_organism = GB_get_father(gb_gene_data); gb_organism = GEN_next_organism(gb_last_organism); break; } default: { gen_assert(0); break; } } return gb_organism ? GEN_expect_gene_data(gb_organism) : 0; } // -------------------------- // GEN_item_selector struct ad_item_selector GEN_item_selector = { AWT_QUERY_ITEM_GENES, GEN_select_gene, gen_get_gene_id, gen_find_gene_by_id, (AW_CB)awt_gene_field_selection_list_update_cb, -1, // unknown CHANGE_KEY_PATH_GENES, "gene", "genes", "name", GEN_get_first_gene_data, GEN_get_next_gene_data, GEN_first_gene_rel_gene_data, GEN_next_gene, GEN_get_current_gene, &AWT_organism_selector, GB_get_grandfather, }; ad_item_selector *GEN_get_selector() { return &GEN_item_selector; } void GEN_species_name_changed_cb(AW_root *awr) { char *species_name = awr->awar(AWAR_SPECIES_NAME)->read_string(); GB_transaction ta(GLOBAL_gb_main); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main, species_name); if (gb_species) { if (GEN_is_pseudo_gene_species(gb_species)) { awr->awar(AWAR_ORGANISM_NAME)->write_string(GEN_origin_organism(gb_species)); awr->awar(AWAR_GENE_NAME)->write_string(GEN_origin_gene(gb_species)); } else { awr->awar(AWAR_ORGANISM_NAME)->write_string(species_name); } } free(species_name); } static void auto_select_pseudo_species(AW_root *awr, GBDATA *gb_main, const char *organism, const char *gene) { GB_transaction ta(gb_main); GBDATA *gb_pseudo = GEN_find_pseudo_species(gb_main, organism, gene, 0); // search for pseudo species.. awr->awar(AWAR_SPECIES_NAME)->write_string(gb_pseudo ? GBT_read_name(gb_pseudo) // .. if found select : organism); // otherwise select organism } void GEN_update_GENE_CONTENT(GBDATA *gb_main, AW_root *awr) { GB_transaction dummy(gb_main); GBDATA *gb_gene = GEN_get_current_gene(gb_main, awr); bool clear = true; if (gb_gene) { // ignore complement here (to highlight gene in ARB_EDIT4); // separate multiple parts by \n char *gene_content = GBT_read_gene_sequence(gb_gene, GB_FALSE, '\n'); awr->awar(AWAR_GENE_CONTENT)->write_string(gene_content); clear = false; free(gene_content); } else { char *gene_name = awr->awar(AWAR_GENE_NAME)->read_string(); const int prefix_len = 10; if (strncmp(gene_name, "intergene_", prefix_len) == 0) { // special case (non-gene result from gene pt server) char *start_pos_ptr = gene_name+prefix_len; char *end_pos_ptr = strchr(start_pos_ptr, '_'); gen_assert(end_pos_ptr); if (end_pos_ptr) { *end_pos_ptr++ = 0; long start_pos = atol(start_pos_ptr); long end_pos = atol(end_pos_ptr); gen_assert(end_pos >= start_pos); GBDATA *gb_organism = GEN_get_current_organism(gb_main, awr); if (gb_organism) { GBDATA *gb_seq = GBT_read_sequence(gb_organism, GENOM_ALIGNMENT); const char *seq_data = GB_read_char_pntr(gb_seq); long len = end_pos-start_pos+1; char *buffer = (char*)malloc(len+1); memcpy(buffer, seq_data+start_pos, len); buffer[len] = 0; awr->awar(AWAR_GENE_CONTENT)->write_string(buffer); clear = false; free(buffer); } } } free(gene_name); } if (clear) { awr->awar(AWAR_GENE_CONTENT)->write_string(""); // if we did not detect any gene sequence -> clear } } void GEN_update_combined_cb(AW_root *awr) { char *organism = awr->awar(AWAR_ORGANISM_NAME)->read_string(); char *gene = awr->awar(AWAR_GENE_NAME)->read_string(); char *old_combined = awr->awar(AWAR_COMBINED_GENE_NAME)->read_string(); const char *combined = GBS_global_string("%s/%s", organism, gene); if (strcmp(combined, old_combined) != 0) { awr->awar(AWAR_COMBINED_GENE_NAME)->write_string(combined); auto_select_pseudo_species(awr, GLOBAL_gb_main, organism, gene); GEN_update_GENE_CONTENT(GLOBAL_gb_main, awr); } free(old_combined); free(gene); free(organism); } void GEN_create_awars(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string(AWAR_COMBINED_GENE_NAME,"",GLOBAL_gb_main); aw_root->awar_string(AWAR_GENE_CONTENT,"",GLOBAL_gb_main); aw_root->awar_string(AWAR_GENE_NAME, "" , GLOBAL_gb_main)->add_callback((AW_RCB0)GEN_update_combined_cb); aw_root->awar_string(AWAR_ORGANISM_NAME, "" , GLOBAL_gb_main)->add_callback((AW_RCB0)GEN_update_combined_cb); aw_root->awar_string(AWAR_SPECIES_NAME,"",GLOBAL_gb_main)->add_callback((AW_RCB0)GEN_species_name_changed_cb); aw_root->awar_string(AWAR_GENE_DEST, "" , aw_def); aw_root->awar_string(AWAR_GENE_POS1, "" , aw_def); aw_root->awar_string(AWAR_GENE_POS2, "" , aw_def); aw_root->awar_int(AWAR_GENE_COMPLEMENT, 0, aw_def); aw_root->awar_string(AWAR_GENE_EXTRACT_ALI, "ali_gene_" , aw_def); } GBDATA *GEN_get_current_organism(GBDATA *gb_main, AW_root *aw_root) { char *species_name = aw_root->awar(AWAR_ORGANISM_NAME)->read_string(); GBDATA *gb_species = GBT_find_species(gb_main,species_name); free(species_name); return gb_species; } GBDATA* GEN_get_current_gene_data(GBDATA *gb_main, AW_root *aw_root) { GBDATA *gb_species = GEN_get_current_organism(gb_main, aw_root); GBDATA *gb_gene_data = 0; if (gb_species) gb_gene_data = GEN_expect_gene_data(gb_species); return gb_gene_data; } GBDATA *GEN_get_current_gene(GBDATA *gb_main, AW_root *aw_root) { GBDATA *gb_species = GEN_get_current_organism(gb_main, aw_root); GBDATA *gb_gene = 0; if (gb_species) { char *gene_name = aw_root->awar(AWAR_GENE_NAME)->read_string(); gb_gene = GEN_find_gene(gb_species,gene_name); free(gene_name); } return gb_gene; } static AW_CL ad_global_scannerid = 0; static AW_root *ad_global_scannerroot = 0; AW_CL gene_query_global_cbs = 0; void gene_rename_cb(AW_window *aww) { AW_root *aw_root = aww->get_root(); char *source = aw_root->awar(AWAR_GENE_NAME)->read_string(); char *dest = aw_root->awar(AWAR_GENE_DEST)->read_string(); if (strcmp(source, dest) != 0) { GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_gene_data = GEN_get_current_gene_data(GLOBAL_gb_main, aww->get_root()); if (!gb_gene_data) error = "Please select a species"; else { GBDATA *gb_source = GEN_find_gene_rel_gene_data(gb_gene_data, source); GBDATA *gb_dest = GEN_find_gene_rel_gene_data(gb_gene_data, dest); if (!gb_source) error = "Please select a gene first"; else if (gb_dest) error = GB_export_errorf("Gene '%s' already exists", dest); else { GBDATA *gb_name = GB_search(gb_source, "name", GB_STRING); if (!gb_name) error = GB_await_error(); else { error = GB_write_string(gb_name, dest); if (!error) aww->get_root()->awar(AWAR_GENE_NAME)->write_string(dest); } } } } error = GB_end_transaction(GLOBAL_gb_main, error); aww->hide_or_notify(error); } free(source); free(dest); } AW_window *create_gene_rename_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "RENAME_GENE", "GENE RENAME"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the gene"); aws->at("input"); aws->create_input_field(AWAR_GENE_DEST,15); aws->at("ok"); aws->callback(gene_rename_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void gene_copy_cb(AW_window *aww){ char *source = aww->get_root()->awar(AWAR_GENE_NAME)->read_string(); char *dest = aww->get_root()->awar(AWAR_GENE_DEST)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_gene_data = GEN_get_current_gene_data(GLOBAL_gb_main, aww->get_root()); if (!gb_gene_data) { error = "Please select a species first."; } else { GBDATA *gb_source = GEN_find_gene_rel_gene_data(gb_gene_data, source); GBDATA *gb_dest = GEN_find_gene_rel_gene_data(gb_gene_data, dest); if (!gb_source) error = "Please select a gene"; else if (gb_dest) error = GB_export_errorf("Gene '%s' already exists", dest); else { gb_dest = GB_create_container(gb_gene_data,"gene"); if (!gb_dest) error = GB_await_error(); else error = GB_copy(gb_dest, gb_source); if (!error) error = GBT_write_string(gb_dest, "name", dest); if (!error) aww->get_root()->awar(AWAR_GENE_NAME)->write_string(dest); } } } error = GB_end_transaction(GLOBAL_gb_main, error); aww->hide_or_notify(error); free(source); free(dest); } AW_window *create_gene_copy_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "COPY_GENE", "GENE COPY"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new gene"); aws->at("input"); aws->create_input_field(AWAR_GENE_DEST,15); aws->at("ok"); aws->callback(gene_copy_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void gene_create_cb(AW_window *aww){ GB_begin_transaction(GLOBAL_gb_main); GB_ERROR error = 0; AW_root *aw_root = aww->get_root(); char *dest = aw_root->awar(AWAR_GENE_DEST)->read_string(); int pos1 = atoi(aw_root->awar(AWAR_GENE_POS1)->read_string()); int pos2 = atoi(aw_root->awar(AWAR_GENE_POS2)->read_string()); int complement = aw_root->awar(AWAR_GENE_COMPLEMENT)->read_int(); GBDATA *gb_gene_data = GEN_get_current_gene_data(GLOBAL_gb_main, aw_root); GBDATA *gb_dest = GEN_find_gene_rel_gene_data(gb_gene_data, dest); if (!gb_gene_data) error = "Please select a species first"; else if (gb_dest) error = GBS_global_string("Gene '%s' already exists", dest); else { GB_ERROR pos_error = 0; if (pos1<1 || pos2<1) pos_error = "positions have to be above zero"; else if (pos2 genome_length) { pos_error = GBS_global_string("endpos is behind sequence end (%i)", genome_length); } } if (pos_error) { error = GBS_global_string("Illegal position(s): %s", pos_error); } else { gb_dest = GEN_find_or_create_gene_rel_gene_data(gb_gene_data, dest); if (!gb_dest) error = GB_await_error(); else { error = GBT_write_int(gb_dest, "pos_start", pos1); if (!error) error = GBT_write_int(gb_dest, "pos_stop", pos2); if (!error) error = GBT_write_byte(gb_dest, "complement", complement); } if (!error) aww->get_root()->awar(AWAR_GENE_NAME)->write_string(dest); } } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(dest); } AW_window *create_gene_create_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "CREATE_GENE","GENE CREATE"); aws->load_xfig("ad_al_si3.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new gene"); aws->at("input"); aws->create_input_field(AWAR_GENE_DEST,15); aws->at("label1"); aws->create_autosize_button(0,"Start position"); aws->at("input1"); aws->create_input_field(AWAR_GENE_POS1,12); aws->at("label2"); aws->create_autosize_button(0,"End position"); aws->at("input2"); aws->create_input_field(AWAR_GENE_POS2,12); aws->at("toggle"); aws->label("Complementary strand"); aws->create_toggle(AWAR_GENE_COMPLEMENT); aws->at("ok"); aws->callback(gene_create_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void gene_delete_cb(AW_window *aww){ if (aw_ask_sure("Are you sure to delete the gene?")) { GB_transaction ta(GLOBAL_gb_main); GB_ERROR error = 0; GBDATA *gb_gene = GEN_get_current_gene(GLOBAL_gb_main, aww->get_root()); error = gb_gene ? GB_delete(gb_gene) : "Please select a gene first"; if (error) { error = ta.close(error); aw_message(error); } } } void GEN_map_gene(AW_root *aw_root, AW_CL scannerid) { GB_transaction dummy(GLOBAL_gb_main); GBDATA *gb_gene = GEN_get_current_gene(GLOBAL_gb_main, aw_root); if (gb_gene) awt_map_arbdb_scanner(scannerid, gb_gene, 0, CHANGE_KEY_PATH_GENES); } void GEN_create_field_items(AW_window *aws) { aws->insert_menu_topic("gen_reorder_fields", "Reorder fields ...", "R", "spaf_reorder.hlp", AD_F_ALL, AW_POPUP, (AW_CL)NT_create_ad_list_reorder, (AW_CL)&GEN_item_selector); aws->insert_menu_topic("gen_delete_field", "Delete/Hide field ...", "D", "spaf_delete.hlp", AD_F_ALL, AW_POPUP, (AW_CL)NT_create_ad_field_delete, (AW_CL)&GEN_item_selector); aws->insert_menu_topic("gen_create_field", "Create fields ...", "C", "spaf_create.hlp", AD_F_ALL, AW_POPUP, (AW_CL)NT_create_ad_field_create, (AW_CL)&GEN_item_selector); aws->insert_separator(); aws->insert_menu_topic("gen_unhide_fields", "Show all hidden fields", "S", "scandb.hlp", AD_F_ALL, (AW_CB)awt_gene_field_selection_list_unhide_all_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_separator(); aws->insert_menu_topic("gen_scan_unknown_fields", "Scan unknown fields", "u", "scandb.hlp", AD_F_ALL, (AW_CB)awt_gene_field_selection_list_scan_unknown_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_menu_topic("gen_del_unused_fields", "Remove unused fields", "e", "scandb.hlp", AD_F_ALL, (AW_CB)awt_gene_field_selection_list_delete_unused_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_menu_topic("gen_refresh_fields", "Refresh fields (both)", "f", "scandb.hlp", AD_F_ALL, (AW_CB)awt_gene_field_selection_list_update_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); } AW_window *GEN_create_gene_window(AW_root *aw_root) { static AW_window_simple_menu *aws = 0; if (!aws) { aws = new AW_window_simple_menu; aws->init( aw_root, "GENE_INFORMATION", "GENE INFORMATION"); aws->load_xfig("ad_spec.fig"); aws->button_length(8); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("search"); aws->callback(AW_POPUP, (AW_CL)GEN_create_gene_query_window, 0); aws->create_button("SEARCH","SEARCH","S"); aws->at("help"); aws->callback(AW_POPUP_HELP, (AW_CL)"gene_info.hlp"); aws->create_button("HELP","HELP","H"); AW_CL scannerid = awt_create_arbdb_scanner(GLOBAL_gb_main, aws, "box",0,"field","enable",AWT_VIEWER,0,"mark",AWT_NDS_FILTER, &GEN_item_selector); ad_global_scannerid = scannerid; ad_global_scannerroot = aws->get_root(); aws->create_menu("GENE", "G", "spa_gene.hlp", AD_F_ALL ); aws->insert_menu_topic("gene_delete", "Delete", "D","spa_delete.hlp", AD_F_ALL, (AW_CB)gene_delete_cb, 0, 0); aws->insert_menu_topic("gene_rename", "Rename ...", "R","spa_rename.hlp", AD_F_ALL, AW_POPUP, (AW_CL)create_gene_rename_window, 0); aws->insert_menu_topic("gene_copy", "Copy ...", "y","spa_copy.hlp", AD_F_ALL, AW_POPUP, (AW_CL)create_gene_copy_window, 0); aws->insert_menu_topic("gene_create", "Create ...", "C","spa_create.hlp", AD_F_ALL, AW_POPUP, (AW_CL)create_gene_create_window, 0); aws->insert_separator(); aws->create_menu("FIELDS", "F", "gene_fields.hlp", AD_F_ALL ); GEN_create_field_items(aws); { Awar_Callback_Info *cb_info = new Awar_Callback_Info(aws->get_root(), AWAR_GENE_NAME, GEN_map_gene, scannerid); // do not delete! AW_detach_information *detach_info = new AW_detach_information(cb_info); // do not delete! cb_info->add_callback(); aws->at("detach"); aws->callback(NT_detach_information_window, (AW_CL)&aws, (AW_CL)detach_info); aws->create_button("DETACH", "DETACH", "D"); detach_info->set_detach_button(aws->get_last_widget()); } // aws->get_root()->awar(AWAR_GENE_NAME)->add_callback(GEN_map_gene,scannerid); GEN_map_gene(aws->get_root(),scannerid); aws->show(); } else { aws->show(); } return aws; } void GEN_popup_gene_window(AW_window *aww, AW_CL, AW_CL) { // w/o this DETACH does not work AW_window *aws = GEN_create_gene_window(aww->get_root()); aws->activate(); } AW_window *GEN_create_gene_query_window(AW_root *aw_root) { static AW_window_simple_menu *aws = 0; if (aws){ return (AW_window *)aws; } aws = new AW_window_simple_menu; aws->init( aw_root, "GEN_QUERY", "Gene SEARCH and QUERY"); aws->create_menu("More functions","f"); aws->load_xfig("ad_query.fig"); awt_query_struct awtqs; awtqs.gb_main = GLOBAL_gb_main; awtqs.species_name = AWAR_SPECIES_NAME; awtqs.tree_name = AWAR_TREE; // awtqs.query_genes = true; // awtqs.gene_name = AWAR_GENE_NAME; awtqs.select_bit = 1; awtqs.use_menu = 1; awtqs.ere_pos_fig = "ere3"; awtqs.where_pos_fig = "where3"; awtqs.by_pos_fig = "by3"; awtqs.qbox_pos_fig = "qbox"; awtqs.rescan_pos_fig = 0; awtqs.key_pos_fig = 0; awtqs.query_pos_fig = "content"; awtqs.result_pos_fig = "result"; awtqs.count_pos_fig = "count"; awtqs.do_query_pos_fig = "doquery"; awtqs.config_pos_fig = "doconfig"; awtqs.do_mark_pos_fig = "domark"; awtqs.do_unmark_pos_fig = "dounmark"; awtqs.do_delete_pos_fig = "dodelete"; awtqs.do_set_pos_fig = "doset"; awtqs.do_refresh_pos_fig = "dorefresh"; awtqs.open_parser_pos_fig = "openparser"; awtqs.create_view_window = (AW_CL)GEN_create_gene_window; awtqs.selector = &GEN_item_selector; AW_CL cbs = (AW_CL)awt_create_query_box(aws, &awtqs, "gen"); gene_query_global_cbs = cbs; aws->create_menu("More search", "s" ); aws->insert_menu_topic("gen_search_equal_fields_within_db", "Search For Equal Fields and Mark Duplicates", "E", "search_duplicates.hlp", AWM_ALL, (AW_CB)awt_search_equal_entries, cbs, 0); aws->insert_menu_topic("gen_search_equal_words_within_db", "Search For Equal Words Between Fields and Mark Duplicates", "W", "search_duplicates.hlp", AWM_ALL, (AW_CB)awt_search_equal_entries, cbs, 1); aws->button_length(7); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback( AW_POPUP_HELP,(AW_CL)"gene_search.hlp"); aws->create_button("HELP","HELP","H"); return (AW_window *)aws; } ./arbsrc_9167/GENOM/GEN_interface.hxx0000644012664100000130000000132111440743000017154 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_INTERFACE_HXX #define GEN_INTERFACE_HXX extern struct ad_item_selector GEN_item_selector; // internal helpers : extern "C" GB_ERROR GEN_mark_organism_or_corresponding_organism(GBDATA *gb_species, int *client_data); #else #error GEN_interface.hxx included twice #endif // GEN_INTERFACE_HXX ./arbsrc_9167/GENOM/GEN_local.hxx0000644012664100000130000000611211440743000016311 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_LOCAL_HXX #define GEN_LOCAL_HXX #ifndef GEN_HXX #include "GEN.hxx" #endif #ifndef ARB_ASSERT_H #include #endif #define gen_assert(bed) arb_assert(bed) // to create new genes: #define AWAR_GENE_DEST "tmp/gene/dest" #define AWAR_GENE_POS1 "tmp/gene/pos1" #define AWAR_GENE_POS2 "tmp/gene/pos2" #define AWAR_GENE_COMPLEMENT "tmp/gene/compl" // contains the path to the gene: "organism_name;gene_name" // writing this awar has no effect #define AWAR_COMBINED_GENE_NAME "tmp/gene/combined_name" // to extract genes to pseudo-species: #define AWAR_GENE_EXTRACT_ALI "tmp/gene/extract/ali" // -------------------------------------------------------------------------------- // view-local awars for organism and gene #define AWAR_LOCAL_ORGANISM_NAME(window_nr) GEN_window_local_awar_name("tmp/genemap/organism", window_nr) #define AWAR_LOCAL_GENE_NAME(window_nr) GEN_window_local_awar_name("tmp/genemap/gene", window_nr) #define AWAR_LOCAL_ORGANISM_LOCK(window_nr) GEN_window_local_awar_name("tmp/genemap/organism_lock", window_nr) #define AWAR_LOCAL_GENE_LOCK(window_nr) GEN_window_local_awar_name("tmp/genemap/gene_lock", window_nr) // -------------------------------------------------------------------------------- // display styles: #define AWAR_GENMAP_DISPLAY_TYPE(window_nr) GEN_window_local_awar_name("genemap/display/type", window_nr) // all display styles: #define AWAR_GENMAP_ARROW_SIZE "genemap/display/arrow_size" #define AWAR_GENMAP_SHOW_HIDDEN "genemap/display/show_hidden" #define AWAR_GENMAP_SHOW_ALL_NDS "genemap/display/show_all_nds" // display book-style: #define AWAR_GENMAP_BOOK_WIDTH_FACTOR "genemap/display/book/width_factor" #define AWAR_GENMAP_BOOK_BASES_PER_LINE "genemap/display/book/base_per_line" #define AWAR_GENMAP_BOOK_LINE_HEIGHT "genemap/display/book/line_height" #define AWAR_GENMAP_BOOK_LINE_SPACE "genemap/display/book/line_space" // display vertical-style: #define AWAR_GENMAP_VERTICAL_FACTOR_X "genemap/display/vertical/factor_x" #define AWAR_GENMAP_VERTICAL_FACTOR_Y "genemap/display/vertical/factor_y" // display radial-style: #define AWAR_GENMAP_RADIAL_INSIDE "genemap/display/radial/inside" #define AWAR_GENMAP_RADIAL_OUTSIDE "genemap/display/radial/outside" // other options: #define AWAR_GENMAP_AUTO_JUMP "genemap/options/autojump" // -------------------------------------------------------------------------------- const char *GEN_window_local_awar_name(const char *awar_name, int window_nr); AW_window *GEN_map(AW_root *aw_root, int window_number); // -------------------------------------------------------------------------------- #else #error GEN_local.hxx included twice #endif // GEN_LOCAL_HXX ./arbsrc_9167/GENOM/GEN_map.cxx0000644012664100000130000021521211440743000015772 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "GEN_local.hxx" #include "GEN_gene.hxx" #include "GEN_graphic.hxx" #include "GEN_nds.hxx" #include "GEN_interface.hxx" #include "EXP.hxx" #include "EXP_interface.hxx" #include "EXP_local.hxx" #include "../NTREE/ad_spec.hxx" // needed for species query window using namespace std; extern GBDATA *GLOBAL_gb_main; // ----------------------------- // class GEN_map_window // ----------------------------- class GEN_map_window: public AW_window_menu_modes { int window_nr; GEN_graphic *gen_graphic; AWT_canvas *gen_canvas; GEN_map_window(const GEN_map_window& other); // copying not allowed GEN_map_window& operator = (const GEN_map_window& other); // assignment not allowed public: GEN_map_window(int window_nr_) : AW_window_menu_modes() , window_nr(window_nr_) , gen_graphic(0) , gen_canvas(0) { } void init(AW_root *root); GEN_graphic *get_graphic() const { gen_assert(gen_graphic); return gen_graphic; } AWT_canvas *get_canvas() const { gen_assert(gen_canvas); return gen_canvas; } int get_nr() const { return window_nr; } }; // ------------------------------- // class GEN_map_manager // ------------------------------- class GEN_map_manager { static AW_root *aw_root; static GEN_map_manager *the_manager; // there can be only one! int window_counter; GEN_map_window **windows; // array of managed windows int windows_size; // size of 'windows' array GEN_map_manager(const GEN_map_manager& other); // copying not allowed GEN_map_manager& operator = (const GEN_map_manager& other); // assignment not allowed public: GEN_map_manager(); static bool initialized() { return aw_root != 0; } static void initialize(AW_root *aw_root_) { aw_root = aw_root_; } static GEN_map_manager *get_map_manager(); GEN_map_window *get_map_window(int nr); int no_of_managed_windows() { return window_counter; } typedef void (*GMW_CB2)(GEN_map_window*, AW_CL, AW_CL); typedef void (*GMW_CB1)(GEN_map_window*, AW_CL); typedef void (*GMW_CB0)(GEN_map_window*); static void with_all_mapped_windows(GMW_CB2 callback, AW_CL cd1, AW_CL cd2); static void with_all_mapped_windows(GMW_CB1 callback, AW_CL cd) { with_all_mapped_windows((GMW_CB2)callback, cd, 0); } static void with_all_mapped_windows(GMW_CB0 callback) { with_all_mapped_windows((GMW_CB2)callback, 0, 0); } }; // ____________________________________________________________ // start of implementation of class GEN_map_manager: AW_root *GEN_map_manager::aw_root = 0; GEN_map_manager *GEN_map_manager::the_manager = 0; GEN_map_manager::GEN_map_manager() : window_counter(0) , windows(new GEN_map_window *[5]) , windows_size(5) { gen_assert(!the_manager); // only one instance allowed the_manager = this; } GEN_map_manager *GEN_map_manager::get_map_manager() { if (!the_manager) { gen_assert(aw_root); // call initialize() before! new GEN_map_manager(); // sets the manager gen_assert(the_manager); } return the_manager; } void GEN_map_manager::with_all_mapped_windows(GMW_CB2 callback, AW_CL cd1, AW_CL cd2) { GEN_map_manager *mm = get_map_manager(); int winCount = mm->no_of_managed_windows(); for (int nr = 0; nrget_map_window(nr), cd1, cd2); } } GEN_map_window *GEN_map_manager::get_map_window(int nr) { gen_assert(aw_root); gen_assert(nr >= 0); if (nrwindows_size) { int new_windows_size = windows_size+5; GEN_map_window **new_windows = new GEN_map_window*[new_windows_size]; for (int i = 0; iinit(aw_root); return windows[nr]; } // -end- of implementation of class GEN_map_manager. const char *GEN_window_local_awar_name(const char *awar_name, int window_nr) { return GBS_global_string("%s_%i", awar_name, window_nr); } static void reinit_NDS_4_window(GEN_map_window *win) { win->get_graphic()->get_gen_root()->reinit_NDS(); } static void GEN_NDS_changed(GBDATA *, int *, gb_call_back_type) { GEN_make_node_text_init(GLOBAL_gb_main); GEN_map_manager::with_all_mapped_windows(reinit_NDS_4_window); // GEN_GRAPHIC->gen_root->reinit_NDS(); } struct gene_container_changed_cb_data { AWT_canvas *canvas; GEN_graphic *graphic; GBDATA *gb_gene_data; // callback was installed for this gene_data gene_container_changed_cb_data() : canvas(0), graphic(0), gb_gene_data(0) {} gene_container_changed_cb_data(AWT_canvas *canvas_, GEN_graphic *graphic_, GBDATA *gb_gene_data_) : canvas(canvas_) , graphic(graphic_) , gb_gene_data(gb_gene_data_) {} }; static void GEN_gene_container_changed_cb(GBDATA */*gb_gene_data*/, int *cl_cb_data, GB_CB_TYPE /*gb_type*/) { gene_container_changed_cb_data *cb_data = (gene_container_changed_cb_data*)cl_cb_data; cb_data->graphic->reinit_gen_root(cb_data->canvas, true); cb_data->canvas->refresh(); } static void GEN_gene_container_cb_installer(bool install, AWT_canvas *gmw, GEN_graphic *gg) { typedef map callback_dict; static callback_dict installed_callbacks; callback_dict::iterator found = installed_callbacks.find(gg); if (found == installed_callbacks.end()) { gen_assert(install); // if !install then entry has to exist! installed_callbacks[gg] = gene_container_changed_cb_data(gmw, gg, 0); found = installed_callbacks.find(gg); gen_assert(found != installed_callbacks.end()); } gene_container_changed_cb_data *curr_cb_data = &(found->second); if (install) { gen_assert(curr_cb_data->gb_gene_data == 0); // 0 means : no callback installed GBDATA *gb_main = gg->get_gb_main(); GB_transaction ta(gb_main); curr_cb_data->gb_gene_data = GEN_get_current_gene_data(gb_main, gg->get_aw_root()); // @@@ FIXME: get data of local genome! if (curr_cb_data->gb_gene_data) { GB_add_callback(curr_cb_data->gb_gene_data, (GB_CB_TYPE)(GB_CB_DELETE|GB_CB_CHANGED), GEN_gene_container_changed_cb, (int*)curr_cb_data); } } else { if (curr_cb_data->gb_gene_data) { // if callback is installed GB_remove_callback(curr_cb_data->gb_gene_data, (GB_CB_TYPE)(GB_CB_DELETE|GB_CB_CHANGED), GEN_gene_container_changed_cb, (int*)curr_cb_data); curr_cb_data->gb_gene_data = 0; } } } void GEN_jump_cb(AW_window *aww, AW_CL cl_force_center_if_fits) { GEN_map_window *win = dynamic_cast(aww); bool force_center_if_fits = (bool)cl_force_center_if_fits; // center gene if gene fits into display gen_assert(win); AW_rectangle screen; // screen coordinates AW_device *device = win->get_graphic()->get_device(); device->get_area_size(&screen); #if defined(DEBUG) printf("Window %i: screen is: %i/%i -> %i/%i\n", win->get_nr(), screen.l, screen.t, screen.r, screen.b); #endif // DEBUG const GEN_root *gen_root = win->get_graphic()->get_gen_root(); if (gen_root) { const AW_world& wrange = gen_root->get_selected_range(); #if defined(DEBUG) printf("Window %i: Draw world range of selected gene is: %f/%f -> %f/%f\n", win->get_nr(), wrange.l, wrange.t, wrange.r, wrange.b); #endif // DEBUG AW_rectangle srange; device->transform(int(wrange.l), int(wrange.t), srange.l, srange.t); device->transform(int(wrange.r), int(wrange.b), srange.r, srange.b); #if defined(DEBUG) printf("Window %i: Draw screen range of selected gene is: %i/%i -> %i/%i\n", win->get_nr(), srange.l, srange.t, srange.r, srange.b); #endif // DEBUG // add padding : // srange.t -= 2; srange.b += 2; // srange.l -= 2; srange.r += 2; AWT_canvas *canvas = win->get_canvas(); int scrollx = 0; int scrolly = 0; if (srange.t < 0) { scrolly = srange.t-2; } else if (srange.b > screen.b) { scrolly = (srange.b-screen.b)+2; // if (srange.t < scrolly) scrolly = srange.t; // avoid scrolling out top side of gene } if (srange.l < 0) { scrollx = srange.l-2; } else if (srange.r > screen.r) { scrollx = srange.r-screen.r+2; // if (srange.l < scrollx) scrollx = srange.l; // avoid scrolling out left side of gene } if (force_center_if_fits) { if (!scrollx) { // no scrolling needed, i.e. gene fits onto display horizontally int gene_center_x = (srange.l+srange.r)/2; int screen_center_x = (screen.l+screen.r)/2; scrollx = gene_center_x-screen_center_x; #if defined(DEBUG) printf("center x\n"); #endif // DEBUG } if (!scrolly) { // no scrolling needed, i.e. gene fits onto display vertically int gene_center_y = (srange.t+srange.b)/2; int screen_center_y = (screen.t+screen.b)/2; scrolly = gene_center_y-screen_center_y; #if defined(DEBUG) printf("center y\n"); #endif // DEBUG } } #if defined(DEBUG) printf("scroll %i/%i\n", scrollx, scrolly); #endif // DEBUG canvas->scroll(aww, scrollx, scrolly); } win->get_canvas()->refresh(); } void GEN_jump_cb_auto(AW_root *root, GEN_map_window *win, bool force_refresh) { int jump = root->awar(AWAR_GENMAP_AUTO_JUMP)->read_int(); if (jump) { win->get_canvas()->refresh(); // needed to recalculate position GEN_jump_cb(win, (AW_CL)false); } else if (force_refresh) win->get_canvas()->refresh(); } void GEN_local_organism_or_gene_name_changed_cb(AW_root *awr, AW_CL cl_win) { GEN_map_window *win = (GEN_map_window*)cl_win; win->get_graphic()->reinit_gen_root(win->get_canvas(), false); GEN_jump_cb_auto(awr, win, true); } // void GEN_gene_name_changed_cb(AW_root *awr, AWT_canvas *gmw) { // GEN_GRAPHIC->reinit_gen_root(gmw); // GEN_jump_cb_auto(awr, gmw); // gmw->refresh(); // } static void GEN_map_window_zoom_reset_and_refresh(GEN_map_window *gmw) { AWT_canvas *canvas = gmw->get_canvas(); canvas->zoom_reset(); canvas->refresh(); } // static void GEN_map_window_refresh(GEN_map_window *gmw) { // AWT_canvas *canvas = gmw->get_canvas(); // canvas->refresh(); // } #define DISPLAY_TYPE_BIT(disp_type) (1<<(disp_type)) #define ALL_DISPLAY_TYPES (DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLES)-1) static void GEN_map_window_refresh_if_display_type(GEN_map_window *win, AW_CL cl_display_type_mask) { int display_type_mask = int(cl_display_type_mask); int my_display_type = win->get_graphic()->get_display_style(); if (display_type_mask & DISPLAY_TYPE_BIT(my_display_type)) { AWT_canvas *canvas = win->get_canvas(); canvas->refresh(); } } static void GEN_update_unlocked_organism_and_gene_awars(GEN_map_window *win, AW_CL cl_organism, AW_CL cl_gene) { AW_root *aw_root = win->get_graphic()->get_aw_root(); int window_nr = win->get_nr(); if (!aw_root->awar(AWAR_LOCAL_ORGANISM_LOCK(window_nr))->read_int()) { aw_root->awar(AWAR_LOCAL_ORGANISM_NAME(window_nr))->write_string((const char*)cl_organism); } if (!aw_root->awar(AWAR_LOCAL_GENE_LOCK(window_nr))->read_int()) { aw_root->awar(AWAR_LOCAL_GENE_NAME(window_nr))->write_string((const char*)cl_gene); } } static void GEN_organism_or_gene_changed_cb(AW_root *awr) { char *organism = awr->awar(AWAR_ORGANISM_NAME)->read_string(); char *gene = awr->awar(AWAR_GENE_NAME)->read_string(); GEN_map_manager::with_all_mapped_windows(GEN_update_unlocked_organism_and_gene_awars, (AW_CL)organism, (AW_CL)gene); free(gene); free(organism); } static void GEN_local_lock_changed_cb(AW_root *awr, AW_CL cl_win, AW_CL cl_what_lock) { int what_lock = (int)cl_what_lock; GEN_map_window *win = (GEN_map_window*)cl_win; int window_nr = win->get_nr(); const char *local_awar_name = 0; const char *local_lock_awar_name = 0; const char *global_awar_name = 0; if (what_lock == 0) { // organism local_awar_name = AWAR_LOCAL_ORGANISM_NAME(window_nr); local_lock_awar_name = AWAR_LOCAL_ORGANISM_LOCK(window_nr); global_awar_name = AWAR_ORGANISM_NAME; } else { // gene local_awar_name = AWAR_LOCAL_GENE_NAME(window_nr); local_lock_awar_name = AWAR_LOCAL_GENE_LOCK(window_nr); global_awar_name = AWAR_GENE_NAME; } AW_awar *local_awar = awr->awar(local_awar_name); AW_awar *global_awar = awr->awar(global_awar_name); int lock_value = awr->awar(local_lock_awar_name)->read_int(); if (lock_value == 0) { // lock has been removed -> map to global awar local_awar->map(global_awar); } else { // lock has been installed -> unmap from global awar local_awar->unmap(); char *content = global_awar->read_string(); local_awar->write_string(content); free(content); } } // ------------------------------------ // display parameter change cb // ------------------------------------ static void GEN_display_param_changed_cb(AW_root */*awr*/, AW_CL cl_display_type_mask) { GEN_map_manager::with_all_mapped_windows(GEN_map_window_refresh_if_display_type, cl_display_type_mask); } inline void set_display_update_callback(AW_root *awr, const char *awar_name, int display_type_mask) { awr->awar(awar_name)->add_callback(GEN_display_param_changed_cb, AW_CL(display_type_mask)); } // ------------------------- // View-local AWARS // ------------------------- static void GEN_create_genemap_local_awars(AW_root *aw_root,AW_default /*def*/, int window_nr) { // awars local to each view aw_root->awar_int(AWAR_GENMAP_DISPLAY_TYPE(window_nr), GEN_DISPLAY_STYLE_RADIAL); // @@@ FIXME: make local aw_root->awar_string(AWAR_LOCAL_ORGANISM_NAME(window_nr), ""); aw_root->awar_string(AWAR_LOCAL_GENE_NAME(window_nr), ""); aw_root->awar_int(AWAR_LOCAL_ORGANISM_LOCK(window_nr), 0); aw_root->awar_int(AWAR_LOCAL_GENE_LOCK(window_nr), 0); } static void GEN_add_local_awar_callbacks(AW_root *awr,AW_default /*def*/, GEN_map_window *win) { int window_nr = win->get_nr(); awr->awar(AWAR_LOCAL_ORGANISM_NAME(window_nr))->add_callback(GEN_local_organism_or_gene_name_changed_cb, (AW_CL)win); awr->awar(AWAR_LOCAL_GENE_NAME(window_nr))->add_callback(GEN_local_organism_or_gene_name_changed_cb, (AW_CL)win); // awr->awar(AWAR_LOCAL_ORGANISM_NAME(window_nr))->map(AWAR_ORGANISM_NAME); // awr->awar(AWAR_LOCAL_GENE_NAME(window_nr))->map(AWAR_GENE_NAME); AW_awar *awar_lock_organism = awr->awar(AWAR_LOCAL_ORGANISM_LOCK(window_nr)); AW_awar *awar_lock_gene = awr->awar(AWAR_LOCAL_GENE_LOCK(window_nr)); awar_lock_organism->add_callback(GEN_local_lock_changed_cb, (AW_CL)win, (AW_CL)0); awar_lock_gene->add_callback(GEN_local_lock_changed_cb, (AW_CL)win, (AW_CL)1); awar_lock_organism->touch(); awar_lock_gene->touch(); } // --------------------- // global AWARS // --------------------- static void GEN_create_genemap_global_awars(AW_root *aw_root,AW_default def) { // layout options: aw_root->awar_int(AWAR_GENMAP_ARROW_SIZE, 150); aw_root->awar_int(AWAR_GENMAP_SHOW_HIDDEN, 0); aw_root->awar_int(AWAR_GENMAP_SHOW_ALL_NDS, 0); aw_root->awar_int(AWAR_GENMAP_BOOK_BASES_PER_LINE, 15000); aw_root->awar_float(AWAR_GENMAP_BOOK_WIDTH_FACTOR, 0.1); aw_root->awar_int(AWAR_GENMAP_BOOK_LINE_HEIGHT, 20); aw_root->awar_int(AWAR_GENMAP_BOOK_LINE_SPACE, 5); aw_root->awar_float(AWAR_GENMAP_VERTICAL_FACTOR_X, 1.0); aw_root->awar_float(AWAR_GENMAP_VERTICAL_FACTOR_Y, 0.3); aw_root->awar_float(AWAR_GENMAP_RADIAL_INSIDE, 50); aw_root->awar_float(AWAR_GENMAP_RADIAL_OUTSIDE, 4); // other options: aw_root->awar_int(AWAR_GENMAP_AUTO_JUMP, 1); GEN_create_nds_vars(aw_root, def, GLOBAL_gb_main, GEN_NDS_changed); } static void GEN_add_global_awar_callbacks(AW_root *awr) { set_display_update_callback(awr, AWAR_GENMAP_ARROW_SIZE, ALL_DISPLAY_TYPES^DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_BOOK)); set_display_update_callback(awr, AWAR_GENMAP_SHOW_HIDDEN, ALL_DISPLAY_TYPES); set_display_update_callback(awr, AWAR_GENMAP_SHOW_ALL_NDS, ALL_DISPLAY_TYPES); set_display_update_callback(awr, AWAR_GENMAP_BOOK_BASES_PER_LINE, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_BOOK)); set_display_update_callback(awr, AWAR_GENMAP_BOOK_WIDTH_FACTOR, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_BOOK)); set_display_update_callback(awr, AWAR_GENMAP_BOOK_LINE_HEIGHT, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_BOOK)); set_display_update_callback(awr, AWAR_GENMAP_BOOK_LINE_SPACE, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_BOOK)); set_display_update_callback(awr, AWAR_GENMAP_VERTICAL_FACTOR_X, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_VERTICAL)); set_display_update_callback(awr, AWAR_GENMAP_VERTICAL_FACTOR_Y, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_VERTICAL)); set_display_update_callback(awr, AWAR_GENMAP_RADIAL_INSIDE, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_RADIAL)); set_display_update_callback(awr, AWAR_GENMAP_RADIAL_OUTSIDE, DISPLAY_TYPE_BIT(GEN_DISPLAY_STYLE_RADIAL)); awr->awar(AWAR_ORGANISM_NAME)->add_callback(GEN_organism_or_gene_changed_cb); awr->awar(AWAR_GENE_NAME)->add_callback(GEN_organism_or_gene_changed_cb); } // -------------------------------------------------------------------------------- void GEN_mode_event( AW_window *aws, AW_CL cl_win, AW_CL cl_mode) { GEN_map_window *win = (GEN_map_window*)cl_win; AWT_COMMAND_MODE mode = (AWT_COMMAND_MODE)cl_mode; const char *text = 0; switch (mode) { case AWT_MODE_SELECT: { text="SELECT MODE LEFT: click to select"; break; } case AWT_MODE_ZOOM: { text="ZOOM MODE LEFT: drag to zoom RIGHT: zoom out"; break; } case AWT_MODE_MOD: { text="INFO MODE LEFT: click for info"; break; } default: { gen_assert(0); break; } } gen_assert(strlen(text) < AWAR_FOOTER_MAX_LEN); // text too long! aws->get_root()->awar(AWAR_FOOTER)->write_string( text); AWT_canvas *canvas = win->get_canvas(); canvas->set_mode(mode); canvas->refresh(); } void GEN_undo_cb(AW_window *, AW_CL undo_type) { GB_ERROR error = GB_undo(GLOBAL_gb_main,(GB_UNDO_TYPE)undo_type); if (error) { aw_message(error); } else{ GB_begin_transaction(GLOBAL_gb_main); GB_commit_transaction(GLOBAL_gb_main); // ntw->refresh(); } } AW_window *GEN_create_options_window(AW_root *awr) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init( awr, "GEN_OPTIONS", "GENE MAP OPTIONS"); aws->load_xfig("gene_options.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"gene_options.hlp"); aws->create_button("HELP","HELP","H"); aws->at("button"); aws->auto_space(10,10); aws->label_length(30); aws->label("Auto jump to selected gene"); aws->create_toggle(AWAR_GENMAP_AUTO_JUMP); aws->at_newline(); } return aws; } AW_window *GEN_create_layout_window(AW_root *awr) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init(awr, "GENE_LAYOUT", "Gene Map Layout"); aws->load_xfig("gene_layout.fig"); aws->callback((AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE", "C"); aws->callback( AW_POPUP_HELP,(AW_CL)"gen_layout.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->at("base_pos"); aws->create_input_field(AWAR_GENMAP_BOOK_BASES_PER_LINE, 15); aws->at("width_factor"); aws->create_input_field(AWAR_GENMAP_BOOK_WIDTH_FACTOR, 7); aws->at("line_height"); aws->create_input_field(AWAR_GENMAP_BOOK_LINE_HEIGHT, 5); aws->at("line_space"); aws->create_input_field(AWAR_GENMAP_BOOK_LINE_SPACE, 5); aws->at("factor_x"); aws->create_input_field(AWAR_GENMAP_VERTICAL_FACTOR_X, 5); aws->at("factor_y"); aws->create_input_field(AWAR_GENMAP_VERTICAL_FACTOR_Y, 5); aws->at("inside"); aws->create_input_field(AWAR_GENMAP_RADIAL_INSIDE, 5); aws->at("outside"); aws->create_input_field(AWAR_GENMAP_RADIAL_OUTSIDE, 5); aws->at("arrow_size"); aws->create_input_field(AWAR_GENMAP_ARROW_SIZE, 5); aws->at("show_hidden"); aws->label("Show hidden genes"); aws->create_toggle(AWAR_GENMAP_SHOW_HIDDEN); aws->at("show_all"); aws->label("Show NDS for all genes"); aws->create_toggle(AWAR_GENMAP_SHOW_ALL_NDS); } return aws; } typedef enum { GEN_PERFORM_ALL_ORGANISMS, GEN_PERFORM_CURRENT_ORGANISM, GEN_PERFORM_ALL_BUT_CURRENT_ORGANISM, GEN_PERFORM_MARKED_ORGANISMS, GEN_PERFORM_MODES, // counter } GEN_PERFORM_MODE; const char *GEN_PERFORM_MODE_id[GEN_PERFORM_MODES] = { "org_all", "org_current", "org_butcur", "org_marked", }; inline string performmode_relative_id(const char *id, GEN_PERFORM_MODE pmode) { return GBS_global_string("%s_%s", GEN_PERFORM_MODE_id[pmode], id); } typedef enum { GEN_MARK, GEN_UNMARK, GEN_INVERT_MARKED, GEN_COUNT_MARKED, // GEN_MARK_COLORED, done by awt_colorize_marked now // GEN_UNMARK_COLORED, // GEN_INVERT_COLORED, // GEN_COLORIZE_MARKED, GEN_EXTRACT_MARKED, GEN_MARK_HIDDEN, GEN_MARK_VISIBLE, GEN_UNMARK_HIDDEN, GEN_UNMARK_VISIBLE } GEN_MARK_MODE; typedef enum { GEN_HIDE_ALL, GEN_UNHIDE_ALL, GEN_INVERT_HIDE_ALL, GEN_HIDE_MARKED, GEN_UNHIDE_MARKED, GEN_INVERT_HIDE_MARKED } GEN_HIDE_MODE; // -------------------------------------------------------------------------------- inline bool nameIsUnique(const char *short_name, GBDATA *gb_species_data) { return GBT_find_species_rel_species_data(gb_species_data, short_name)==0; } static GB_ERROR GEN_species_add_entry(GBDATA *gb_pseudo, const char *key, const char *value) { GB_ERROR error = 0; GB_clear_error(); GBDATA *gbd = GB_entry(gb_pseudo, key); if (!gbd) { // key does not exist yet -> create gbd = GB_create(gb_pseudo, key, GB_STRING); if (!gbd) error = GB_await_error(); } else { // key exists if (GB_read_type(gbd) != GB_STRING) { // test correct key type error = GB_export_errorf("field '%s' exists and has wrong type", key); } } if (!error) error = GB_write_string(gbd, value); return error; } static AW_repeated_question *ask_about_existing_gene_species = 0; static AW_repeated_question *ask_to_overwrite_alignment = 0; struct EG2PS_data { // used for status: int count; int marked_genes; GBDATA *gb_species_data; char *ali; UniqueNameDetector existing; GB_HASH *pseudo_hash; int duplicateSpecies; // counts created gene-species with identical ACC bool nameProblem; // nameserver and DB disagree about names EG2PS_data(const char *ali_, GBDATA *gb_species_data_, int marked_genes_) : count(0) , marked_genes(marked_genes_) , gb_species_data(gb_species_data_) , ali(strdup(ali_)) , existing(gb_species_data, marked_genes) , duplicateSpecies(0) , nameProblem(false) { pseudo_hash = GEN_create_pseudo_species_hash(GB_get_root(gb_species_data), marked_genes); } ~EG2PS_data() { if (duplicateSpecies>0) { aw_message(GBS_global_string("There are %i duplicated gene-species (with identical sequence and accession number)\n" "Duplicated gene-species got names with numerical postfixes ('.1', '.2', ...)" , duplicateSpecies)); } if (nameProblem) { aw_message("Naming problems occurred.\nYou have to call 'Generate new names'!"); } GBS_free_hash(pseudo_hash); free(ali); } }; static const char* readACC(GBDATA *gb_species_data, const char *name) { const char *other_acc = 0; GBDATA *gb_other_species = GBT_find_species_rel_species_data(gb_species_data, name); if (gb_other_species) { GBDATA *gb_other_acc = GB_entry(gb_other_species, "acc"); if (gb_other_acc) other_acc = GB_read_char_pntr(gb_other_acc); } return other_acc; } static void gen_extract_gene_2_pseudoSpecies(GBDATA *gb_species, GBDATA *gb_gene, EG2PS_data *eg2ps) { const char *gene_name = GBT_read_name(gb_gene); const char *species_name = GBT_read_name(gb_species); const char *full_species_name = GBT_read_char_pntr(gb_species, "full_name"); if (!full_species_name) full_species_name = species_name; char *full_name = GBS_global_string_copy("%s [%s]", full_species_name, gene_name); char *sequence = GBT_read_gene_sequence(gb_gene, GB_TRUE, 0); GB_ERROR error = 0; if (!sequence) error = GB_await_error(); else { const char *ali = eg2ps->ali; long id = GBS_checksum(sequence, 1, ".-"); char acc[100]; sprintf(acc, "ARB_GENE_%lX", id); // test if this gene has been already extracted to a gene-species GBDATA *gb_exist_geneSpec = GEN_find_pseudo_species(GLOBAL_gb_main, species_name, gene_name, eg2ps->pseudo_hash); bool create_new_gene_species = true; char *short_name = 0; if (gb_exist_geneSpec) { const char *existing_name = GBT_read_name(gb_exist_geneSpec); gen_assert(ask_about_existing_gene_species); gen_assert(ask_to_overwrite_alignment); char *question = GBS_global_string_copy("Already have a gene-species for %s/%s ('%s')", species_name, gene_name, existing_name); int answer = ask_about_existing_gene_species->get_answer(question, "Overwrite species,Insert new alignment,Skip,Create new", "all", true); create_new_gene_species = false; switch (answer) { case 0: { // Overwrite species // @@@ FIXME: delete species needed here create_new_gene_species = true; short_name = strdup(existing_name); break; } case 1: { // Insert new alignment or overwrite alignment GBDATA *gb_ali = GB_entry(gb_exist_geneSpec, ali); if (gb_ali) { // the alignment already exists char *question2 = GBS_global_string_copy("Gene-species '%s' already has data in '%s'", existing_name, ali); int overwrite_answer = ask_to_overwrite_alignment->get_answer(question2, "Overwrite data,Skip", "all", true); if (overwrite_answer == 1) error = GBS_global_string("Skipped gene-species '%s' (already had data in alignment)", existing_name); // Skip else if (overwrite_answer == 2) error = "Aborted."; // Abort // @@@ FIXME: overwrite data is missing free(question2); } break; } case 2: { // Skip existing ones error = GBS_global_string("Skipped gene-species '%s'", existing_name); break; } case 3: { // Create with new name create_new_gene_species = true; break; } case 4: { // Abort error = "Aborted."; break; } default : gen_assert(0); } free(question); } if (!error) { if (create_new_gene_species) { if (!short_name) { // create a new name error = AWTC_generate_one_name(GLOBAL_gb_main, full_name, acc, 0, short_name, false, false); if (!error) { // name has been created if (eg2ps->existing.name_known(short_name)) { // nameserver-generated name is already in use const char *other_acc = readACC(eg2ps->gb_species_data, short_name); if (other_acc) { if (strcmp(acc, other_acc) == 0) { // duplicate (gene-)species -> generate postfixed name char *newName = 0; for (int postfix = 1; ; ++postfix) { newName = GBS_global_string_copy("%s.%i", short_name, postfix); if (!eg2ps->existing.name_known(newName)) { eg2ps->duplicateSpecies++; break; } other_acc = readACC(eg2ps->gb_species_data, newName); if (!other_acc || strcmp(acc, other_acc) != 0) { eg2ps->nameProblem = true; error = GBS_global_string("Unexpected acc-mismatch for '%s'", newName); break; } } if (!error) freeset(short_name, newName); else free(newName); } else { // different acc, but uses name generated by nameserver eg2ps->nameProblem = true; error = GBS_global_string("acc of '%s' differs from acc stored in nameserver", short_name); } } else { // can't detect acc of existing species eg2ps->nameProblem = true; error = GBS_global_string("can't detect acc of species '%s'", short_name); } } } if (error) { // try to make a random name const char *msg = GBS_global_string("%s\nGenerating a random name instead.", error); aw_message(msg); error = 0; short_name = AWTC_generate_random_name(eg2ps->existing); if (!short_name) error = GBS_global_string("Failed to create a new name for pseudo gene-species '%s'", full_name); } } if (!error) { // create the species gen_assert(short_name); gb_exist_geneSpec = GBT_find_or_create_species(GLOBAL_gb_main, short_name); if (!gb_exist_geneSpec) error = GB_export_errorf("Failed to create pseudo-species '%s'", short_name); else eg2ps->existing.add_name(short_name); } } else { gen_assert(gb_exist_geneSpec); // do not generate new or skip -> should only occur when gene-species already existed } if (!error) { // write sequence data GBDATA *gb_data = GBT_add_data(gb_exist_geneSpec, ali, "data", GB_STRING); if (!gb_data) error = GB_await_error(); else { size_t sequence_length = strlen(sequence); error = GBT_write_sequence(gb_data, ali, sequence_length, sequence); } } // write other entries: if (!error) error = GEN_species_add_entry(gb_exist_geneSpec, "full_name", full_name); if (!error) error = GEN_species_add_entry(gb_exist_geneSpec, "ARB_origin_species", species_name); if (!error) error = GEN_species_add_entry(gb_exist_geneSpec, "ARB_origin_gene", gene_name); if (!error) GEN_add_pseudo_species_to_hash(gb_exist_geneSpec, eg2ps->pseudo_hash); if (!error) error = GEN_species_add_entry(gb_exist_geneSpec, "acc", acc); // copy codon_start and transl_table : const char *codon_start = 0; const char *transl_table = 0; { GBDATA *gb_codon_start = GB_entry(gb_gene, "codon_start"); GBDATA *gb_transl_table = GB_entry(gb_gene, "transl_table"); if (gb_codon_start) codon_start = GB_read_char_pntr(gb_codon_start); if (gb_transl_table) transl_table = GB_read_char_pntr(gb_transl_table); } if (!error && codon_start) error = GEN_species_add_entry(gb_exist_geneSpec, "codon_start", codon_start); if (!error && transl_table) error = GEN_species_add_entry(gb_exist_geneSpec, "transl_table", transl_table); } free(short_name); free(sequence); } if (error) aw_message(error); free(full_name); } static long gen_count_marked_genes = 0; // used to count marked genes static void do_mark_command_for_one_species(int imode, GBDATA *gb_species, AW_CL cl_user) { GEN_MARK_MODE mode = (GEN_MARK_MODE)imode; GB_ERROR error = 0; for (GBDATA *gb_gene = GEN_first_gene(gb_species); !error && gb_gene; gb_gene = GEN_next_gene(gb_gene)) { bool mark_flag = GB_read_flag(gb_gene) != 0; bool org_mark_flag = mark_flag; // int wantedColor; switch (mode) { case GEN_MARK: mark_flag = 1; break; case GEN_UNMARK: mark_flag = 0; break; case GEN_INVERT_MARKED: mark_flag = !mark_flag; break; case GEN_COUNT_MARKED: { if (mark_flag) ++gen_count_marked_genes; break; } case GEN_EXTRACT_MARKED: { if (mark_flag) { EG2PS_data *eg2ps = (EG2PS_data*)cl_user; gen_extract_gene_2_pseudoSpecies(gb_species, gb_gene, eg2ps); if ((++eg2ps->count)%10 == 0) { aw_status(eg2ps->count/double(eg2ps->marked_genes)); } } break; } // case GEN_COLORIZE_MARKED: { // if (mark_flag) error = AW_set_color_group(gb_gene, wantedColor); // break; // } default: { GBDATA *gb_hidden = GB_entry(gb_gene, ARB_HIDDEN); bool hidden = gb_hidden ? GB_read_byte(gb_hidden) != 0 : false; // long myColor = AW_find_color_group(gb_gene, true); switch (mode) { // case GEN_MARK_COLORED: if (myColor == wantedColor) mark_flag = 1; break; // case GEN_UNMARK_COLORED: if (myColor == wantedColor) mark_flag = 0; break; // case GEN_INVERT_COLORED: if (myColor == wantedColor) mark_flag = !mark_flag; break; case GEN_MARK_HIDDEN: if (hidden) mark_flag = 1; break; case GEN_UNMARK_HIDDEN: if (hidden) mark_flag = 0; break; case GEN_MARK_VISIBLE: if (!hidden) mark_flag = 1; break; case GEN_UNMARK_VISIBLE: if (!hidden) mark_flag = 0; break; default: gen_assert(0); break; } } } if (mark_flag != org_mark_flag) { error = GB_write_flag(gb_gene, mark_flag?1:0); } } if (error) aw_message(error); } static void do_hide_command_for_one_species(int imode, GBDATA *gb_species, AW_CL /*cl_user*/) { GEN_HIDE_MODE mode = (GEN_HIDE_MODE)imode; for (GBDATA *gb_gene = GEN_first_gene(gb_species); gb_gene; gb_gene = GEN_next_gene(gb_gene)) { bool marked = GB_read_flag(gb_gene) != 0; GBDATA *gb_hidden = GB_entry(gb_gene, ARB_HIDDEN); bool hidden = gb_hidden ? (GB_read_byte(gb_hidden) != 0) : false; bool org_hidden = hidden; switch (mode) { case GEN_HIDE_ALL: hidden = true; break; case GEN_UNHIDE_ALL: hidden = false; break; case GEN_INVERT_HIDE_ALL: hidden = !hidden; break; case GEN_HIDE_MARKED: if (marked) hidden = true; break; case GEN_UNHIDE_MARKED: if (marked) hidden = false; break; case GEN_INVERT_HIDE_MARKED: if (marked) hidden = !hidden; break; default: gen_assert(0); break; } if (hidden != org_hidden) { if (!gb_hidden) gb_hidden = GB_create(gb_gene, ARB_HIDDEN, GB_BYTE); GB_write_byte(gb_hidden, hidden ? 1 : 0); // change gene visibility } } } static void GEN_perform_command(AW_window *aww, GEN_PERFORM_MODE pmode, void (*do_command)(int cmode, GBDATA *gb_species, AW_CL cl_user), int mode, AW_CL cl_user) { GB_ERROR error = 0; GB_begin_transaction(GLOBAL_gb_main); switch (pmode) { case GEN_PERFORM_ALL_ORGANISMS: { for (GBDATA *gb_organism = GEN_first_organism(GLOBAL_gb_main); gb_organism; gb_organism = GEN_next_organism(gb_organism)) { do_command(mode, gb_organism, cl_user); } break; } case GEN_PERFORM_MARKED_ORGANISMS: { for (GBDATA *gb_organism = GEN_first_marked_organism(GLOBAL_gb_main); gb_organism; gb_organism = GEN_next_marked_organism(gb_organism)) { do_command(mode, gb_organism, cl_user); } break; } case GEN_PERFORM_ALL_BUT_CURRENT_ORGANISM: { AW_root *aw_root = aww->get_root(); GBDATA *gb_curr_organism = GEN_get_current_organism(GLOBAL_gb_main, aw_root); for (GBDATA *gb_organism = GEN_first_organism(GLOBAL_gb_main); gb_organism; gb_organism = GEN_next_organism(gb_organism)) { if (gb_organism != gb_curr_organism) do_command(mode, gb_organism, cl_user); } break; } case GEN_PERFORM_CURRENT_ORGANISM: { AW_root *aw_root = aww->get_root(); GBDATA *gb_organism = GEN_get_current_organism(GLOBAL_gb_main, aw_root); if (!gb_organism) { error = "First you have to select a species."; } else { do_command(mode, gb_organism, cl_user); } break; } default: { gen_assert(0); break; } } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); } static void GEN_hide_command(AW_window *aww, AW_CL cl_pmode, AW_CL cl_hmode) { GEN_perform_command(aww, (GEN_PERFORM_MODE)cl_pmode, do_hide_command_for_one_species, cl_hmode, 0); } static void GEN_mark_command(AW_window *aww, AW_CL cl_pmode, AW_CL cl_mmode) { gen_count_marked_genes = 0; GEN_perform_command(aww, (GEN_PERFORM_MODE)cl_pmode, do_mark_command_for_one_species, cl_mmode, 0); if ((GEN_MARK_MODE)cl_mmode == GEN_COUNT_MARKED) { const char *where = 0; switch ((GEN_PERFORM_MODE)cl_pmode) { case GEN_PERFORM_CURRENT_ORGANISM: where = "the current species"; break; case GEN_PERFORM_MARKED_ORGANISMS: where = "all marked species"; break; case GEN_PERFORM_ALL_ORGANISMS: where = "all species"; break; case GEN_PERFORM_ALL_BUT_CURRENT_ORGANISM: where = "all but the current species"; break; default: gen_assert(0); break; } aw_message(GBS_global_string("There are %li marked genes in %s", gen_count_marked_genes, where)); } } void gene_extract_cb(AW_window *aww, AW_CL cl_pmode){ char *ali = aww->get_root()->awar(AWAR_GENE_EXTRACT_ALI)->read_string(); GB_ERROR error = GBT_check_alignment_name(ali); if (!error) { GB_transaction dummy(GLOBAL_gb_main); GBDATA *gb_ali = GBT_get_alignment(GLOBAL_gb_main, ali); if (!gb_ali && !GBT_create_alignment(GLOBAL_gb_main,ali,0,0,0,"dna")) { error = GB_await_error(); } } if (error) { aw_message(error); } else { ask_about_existing_gene_species = new AW_repeated_question(); ask_to_overwrite_alignment = new AW_repeated_question(); aw_openstatus("Extracting pseudo-species"); { EG2PS_data *eg2ps = 0; { gen_count_marked_genes = 0; GEN_perform_command(aww, (GEN_PERFORM_MODE)cl_pmode, do_mark_command_for_one_species, GEN_COUNT_MARKED, 0); GB_transaction ta(GLOBAL_gb_main); GBDATA *gb_species_data = GB_search(GLOBAL_gb_main, "species_data", GB_CREATE_CONTAINER); eg2ps = new EG2PS_data(ali, gb_species_data, gen_count_marked_genes); } PersistantNameServerConnection stayAlive; GEN_perform_command(aww, (GEN_PERFORM_MODE)cl_pmode, do_mark_command_for_one_species, GEN_EXTRACT_MARKED, (AW_CL)eg2ps); delete eg2ps; } aw_closestatus(); delete ask_to_overwrite_alignment; delete ask_about_existing_gene_species; ask_to_overwrite_alignment = 0; ask_about_existing_gene_species = 0; } free(ali); } #if 0 // currently unused GBDATA *GEN_find_pseudo(GBDATA *gb_organism, GBDATA *gb_gene) { // Warning : This functions is very SLOW! GBDATA *gb_species_data = GB_get_father(gb_organism); const char *organism_name = GBT_read_name(gb_organism); const char *gene_name = GBT_read_name(gb_gene); GBDATA *gb_pseudo = 0; for (GBDATA *gb_species = GBT_first_species_rel_species_data(gb_species_data); gb_species; gb_species = GBT_next_species(gb_species)) { const char *this_organism_name = GEN_origin_organism(gb_species); if (this_organism_name && strcmp(this_organism_name, organism_name) == 0) { if (strcmp(GEN_origin_gene(gb_species), gene_name) == 0) { gb_pseudo = gb_species; break; } } } return gb_pseudo; } #endif static void mark_organisms(AW_window */*aww*/, AW_CL cl_mark, AW_CL cl_canvas) { // cl_mark == 0 -> unmark // cl_mark == 1 -> mark // cl_mark == 2 -> invert mark // cl_mark == 3 -> mark organisms, unmark rest GB_transaction dummy(GLOBAL_gb_main); int mark = (int)cl_mark; if (mark == 3) { GBT_mark_all(GLOBAL_gb_main, 0); // unmark all species mark = 1; } for (GBDATA *gb_org = GEN_first_organism(GLOBAL_gb_main); gb_org; gb_org = GEN_next_organism(gb_org)) { if (mark == 2) { GB_write_flag(gb_org, !GB_read_flag(gb_org)); // invert mark of organism } else { GB_write_flag(gb_org, mark); // mark/unmark organism } } AWT_canvas *canvas = (AWT_canvas*)cl_canvas; if (canvas) canvas->refresh(); } static void mark_gene_species(AW_window */*aww*/, AW_CL cl_mark, AW_CL cl_canvas) { // cl_mark == 0 -> unmark // cl_mark == 1 -> mark // cl_mark == 2 -> invert mark // cl_mark == 3 -> mark gene-species, unmark rest GB_transaction dummy(GLOBAL_gb_main); int mark = (int)cl_mark; if (mark == 3) { GBT_mark_all(GLOBAL_gb_main, 0); // unmark all species mark = 1; } for (GBDATA *gb_pseudo = GEN_first_pseudo_species(GLOBAL_gb_main); gb_pseudo; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { if (mark == 2) { GB_write_flag(gb_pseudo, !GB_read_flag(gb_pseudo)); // invert mark of pseudo-species } else { GB_write_flag(gb_pseudo, mark); // mark/unmark gene-species } } AWT_canvas *canvas = (AWT_canvas*)cl_canvas; if (canvas) canvas->refresh(); } static void mark_gene_species_of_marked_genes(AW_window */*aww*/, AW_CL cl_canvas, AW_CL) { GB_transaction dummy(GLOBAL_gb_main); GB_HASH *organism_hash = GBT_create_organism_hash(GLOBAL_gb_main); for (GBDATA *gb_pseudo = GEN_first_pseudo_species(GLOBAL_gb_main); gb_pseudo; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { GBDATA *gb_gene = GEN_find_origin_gene(gb_pseudo, organism_hash); if (GB_read_flag(gb_gene)) { GB_write_flag(gb_pseudo, 1); // mark pseudo } } GBS_free_hash(organism_hash); AWT_canvas *canvas = (AWT_canvas*)cl_canvas; if (canvas) canvas->refresh(); } static void mark_organisms_with_marked_genes(AW_window */*aww*/, AW_CL /*cl_canvas*/, AW_CL) { GB_transaction dummy(GLOBAL_gb_main); for (GBDATA *gb_species = GEN_first_organism(GLOBAL_gb_main); gb_species; gb_species = GEN_next_organism(gb_species)) { for (GBDATA *gb_gene = GEN_first_gene(gb_species); gb_gene; gb_gene = GEN_next_gene(gb_gene)) { if (GB_read_flag(gb_gene)) { GB_write_flag(gb_species, 1); break; // continue with next organism } } } } static void mark_gene_species_using_current_alignment(AW_window */*aww*/, AW_CL /*cl_canvas*/, AW_CL) { GB_transaction dummy(GLOBAL_gb_main); char *ali = GBT_get_default_alignment(GLOBAL_gb_main); for (GBDATA *gb_pseudo = GEN_first_pseudo_species(GLOBAL_gb_main); gb_pseudo; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { GBDATA *gb_ali = GB_entry(gb_pseudo, ali); if (gb_ali) { GBDATA *gb_data = GB_entry(gb_ali, "data"); if (gb_data) { GB_write_flag(gb_pseudo, 1); } } } } static void mark_genes_of_marked_gene_species(AW_window */*aww*/, AW_CL, AW_CL) { GB_transaction dummy(GLOBAL_gb_main); GB_HASH *organism_hash = GBT_create_organism_hash(GLOBAL_gb_main); for (GBDATA *gb_pseudo = GEN_first_pseudo_species(GLOBAL_gb_main); gb_pseudo; gb_pseudo = GEN_next_pseudo_species(gb_pseudo)) { if (GB_read_flag(gb_pseudo)) { GBDATA *gb_gene = GEN_find_origin_gene(gb_pseudo, organism_hash); GB_write_flag(gb_gene, 1); // mark gene } } GBS_free_hash(organism_hash); } AW_window *create_gene_extract_window(AW_root *root, AW_CL cl_pmode) { AW_window_simple *aws = new AW_window_simple; string window_id = performmode_relative_id("EXTRACT_GENE", GEN_PERFORM_MODE(cl_pmode)); aws->init(root, window_id.c_str(), "Extract genes to alignment"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the alignment to extract to"); aws->at("input"); aws->create_input_field(AWAR_GENE_EXTRACT_ALI,15); aws->at("ok"); aws->callback(gene_extract_cb, cl_pmode); aws->create_button("GO", "GO", "G"); return aws; } #define AWMIMT awm->insert_menu_topic void GEN_insert_extract_submenu(AW_window_menu_modes *awm, const char *macro_prefix, const char *submenu_name, const char *hot_key, const char *help_file) { awm->insert_sub_menu(submenu_name, hot_key); char macro_name_buffer[50]; sprintf(macro_name_buffer, "%s_of_current", macro_prefix); AWMIMT(macro_name_buffer, "of current species...", "c", help_file, AWM_ALL, AW_POPUP, (AW_CL)create_gene_extract_window, (AW_CL)GEN_PERFORM_CURRENT_ORGANISM); sprintf(macro_name_buffer, "%s_of_marked", macro_prefix); AWMIMT(macro_name_buffer, "of marked species...", "m", help_file, AWM_ALL, AW_POPUP, (AW_CL)create_gene_extract_window, (AW_CL)GEN_PERFORM_MARKED_ORGANISMS); sprintf(macro_name_buffer, "%s_of_all", macro_prefix); AWMIMT(macro_name_buffer, "of all species...", "a", help_file, AWM_ALL, AW_POPUP, (AW_CL)create_gene_extract_window, (AW_CL)GEN_PERFORM_ALL_ORGANISMS); awm->close_sub_menu(); } void GEN_insert_multi_submenu(AW_window_menu_modes *awm, const char *macro_prefix, const char *submenu_name, const char *hot_key, const char *help_file, void (*command)(AW_window*, AW_CL, AW_CL), AW_CL command_mode) { awm->insert_sub_menu(submenu_name, hot_key); char macro_name_buffer[50]; sprintf(macro_name_buffer, "%s_of_current", macro_prefix); AWMIMT(macro_name_buffer, "of current species", "c", help_file, AWM_ALL, command, GEN_PERFORM_CURRENT_ORGANISM, command_mode); sprintf(macro_name_buffer, "%s_of_all_but_current", macro_prefix); AWMIMT(macro_name_buffer, "of all but current species", "b", help_file, AWM_ALL, command, GEN_PERFORM_ALL_BUT_CURRENT_ORGANISM, command_mode); sprintf(macro_name_buffer, "%s_of_marked", macro_prefix); AWMIMT(macro_name_buffer, "of marked species", "m", help_file, AWM_ALL, command, GEN_PERFORM_MARKED_ORGANISMS, command_mode); sprintf(macro_name_buffer, "%s_of_all", macro_prefix); AWMIMT(macro_name_buffer, "of all species", "a", help_file, AWM_ALL, command, GEN_PERFORM_ALL_ORGANISMS, command_mode); awm->close_sub_menu(); } void GEN_insert_mark_submenu(AW_window_menu_modes *awm, const char *macro_prefix, const char *submenu_name, const char *hot_key, const char *help_file, GEN_MARK_MODE mark_mode) { GEN_insert_multi_submenu(awm, macro_prefix, submenu_name, hot_key, help_file, GEN_mark_command, (AW_CL)mark_mode); } void GEN_insert_hide_submenu(AW_window_menu_modes *awm, const char *macro_prefix, const char *submenu_name, const char *hot_key, const char *help_file, GEN_HIDE_MODE hide_mode) { GEN_insert_multi_submenu(awm, macro_prefix, submenu_name, hot_key, help_file, GEN_hide_command, (AW_CL)hide_mode); } #if defined(DEBUG) AW_window *GEN_create_awar_debug_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init(aw_root, "DEBUG_AWARS", "DEBUG AWARS"); aws->at(10, 10); aws->auto_space(10,10); const int width = 50; ; aws->label("AWAR_SPECIES_NAME "); aws->create_input_field(AWAR_SPECIES_NAME, width); aws->at_newline(); aws->label("AWAR_ORGANISM_NAME "); aws->create_input_field(AWAR_ORGANISM_NAME, width); aws->at_newline(); aws->label("AWAR_GENE_NAME "); aws->create_input_field(AWAR_GENE_NAME, width); aws->at_newline(); aws->label("AWAR_COMBINED_GENE_NAME "); aws->create_input_field(AWAR_COMBINED_GENE_NAME, width); aws->at_newline(); aws->label("AWAR_EXPERIMENT_NAME "); aws->create_input_field(AWAR_EXPERIMENT_NAME, width); aws->at_newline(); aws->label("AWAR_COMBINED_EXPERIMENT_NAME"); aws->create_input_field(AWAR_COMBINED_EXPERIMENT_NAME, width); aws->at_newline(); aws->label("AWAR_PROTEOM_NAME "); aws->create_input_field(AWAR_PROTEOM_NAME, width); aws->at_newline(); aws->label("AWAR_PROTEIN_NAME "); aws->create_input_field(AWAR_PROTEIN_NAME, width); aws->window_fit(); } return aws; } #endif // DEBUG // -------------------------- // user mask section // -------------------------- class GEN_item_type_species_selector : public awt_item_type_selector { public: GEN_item_type_species_selector() : awt_item_type_selector(AWT_IT_GENE) {} virtual ~GEN_item_type_species_selector() {} virtual const char *get_self_awar() const { return AWAR_COMBINED_GENE_NAME; } virtual size_t get_self_awar_content_length() const { return 12 + 1 + 40; // species-name+'/'+gene_name } virtual void add_awar_callbacks(AW_root *root, void (*f)(AW_root*, AW_CL), AW_CL cl_mask) const { // add callbacks to awars root->awar(get_self_awar())->add_callback(f, cl_mask); } virtual void remove_awar_callbacks(AW_root *root, void (*f)(AW_root*, AW_CL), AW_CL cl_mask) const { root->awar(get_self_awar())->remove_callback(f, cl_mask); } virtual GBDATA *current(AW_root *root) const { // give the current item char *species_name = root->awar(AWAR_ORGANISM_NAME)->read_string(); char *gene_name = root->awar(AWAR_GENE_NAME)->read_string(); GBDATA *gb_gene = 0; if (species_name[0] && gene_name[0]) { GB_transaction dummy(GLOBAL_gb_main); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main,species_name); if (gb_species) { gb_gene = GEN_find_gene(gb_species, gene_name); } } free(gene_name); free(species_name); return gb_gene; } virtual const char *getKeyPath() const { // give the keypath for items return CHANGE_KEY_PATH_GENES; } }; static GEN_item_type_species_selector item_type_gene; static void GEN_open_mask_window(AW_window *aww, AW_CL cl_id, AW_CL) { int id = int(cl_id); const awt_input_mask_descriptor *descriptor = AWT_look_input_mask(id); gen_assert(descriptor); if (descriptor) AWT_initialize_input_mask(aww->get_root(), GLOBAL_gb_main, &item_type_gene, descriptor->get_internal_maskname(), descriptor->is_local_mask()); } static void GEN_create_mask_submenu(AW_window_menu_modes *awm) { AWT_create_mask_submenu(awm, AWT_IT_GENE, GEN_open_mask_window); } static AW_window *GEN_create_gene_colorize_window(AW_root *aw_root) { return awt_create_item_colorizer(aw_root, GLOBAL_gb_main, &GEN_item_selector); } static AW_window *GEN_create_organism_colorize_window(AW_root *aw_root) { return awt_create_item_colorizer(aw_root, GLOBAL_gb_main, &AWT_organism_selector); } // used to avoid that the organisms info window is stored in a menu (or with a button) void GEN_popup_organism_window(AW_window *aww, AW_CL, AW_CL) { AW_window *aws = NT_create_organism_window(aww->get_root()); aws->activate(); } void GEN_create_organism_submenu(AW_window_menu_modes *awm, bool submenu/*, AWT_canvas *ntree_canvas*/) { const char *title = "Organisms"; const char *hotkey = "O"; if (submenu) awm->insert_sub_menu(title, hotkey); else awm->create_menu(title, hotkey, "no.hlp", AWM_ALL); { AWMIMT( "organism_info", "Organism information", "i", "organism_info.hlp", AWM_ALL,GEN_popup_organism_window, 0, 0); // AWMIMT( "organism_info", "Organism information", "i", "organism_info.hlp", AWM_ALL,AW_POPUP, (AW_CL)NT_create_organism_window, 0 ); awm->insert_separator(); AWMIMT("mark_organisms", "Mark All organisms", "A", "organism_mark.hlp", AWM_ALL, mark_organisms, 1, 0); AWMIMT("mark_organisms_unmark_rest", "Mark all organisms, unmark Rest", "R", "organism_mark.hlp", AWM_ALL, mark_organisms, 3, 0); AWMIMT("unmark_organisms", "Unmark all organisms", "U", "organism_mark.hlp", AWM_ALL, mark_organisms, 0, 0); AWMIMT("invmark_organisms", "Invert marks of all organisms", "v", "organism_mark.hlp", AWM_ALL, mark_organisms, 2, 0); awm->insert_separator(); AWMIMT("mark_organisms_with_marked_genes", "Mark organisms with marked Genes", "G", "organism_mark.hlp", AWM_ALL, mark_organisms_with_marked_genes, 0, 0); awm->insert_separator(); AWMIMT( "organism_colors", "Colors ...", "C", "mark_colors.hlp", AWM_ALL,AW_POPUP, (AW_CL)GEN_create_organism_colorize_window, 0); } if (submenu) awm->close_sub_menu(); } void GEN_create_gene_species_submenu(AW_window_menu_modes *awm, bool submenu/*, AWT_canvas *ntree_canvas*/) { const char *title = "Gene-Species"; const char *hotkey = "S"; if (submenu) awm->insert_sub_menu(title, hotkey); else awm->create_menu(title, hotkey, "no.hlp", AWM_ALL); { AWMIMT("mark_gene_species", "Mark All gene-species", "A", "gene_species_mark.hlp", AWM_ALL, mark_gene_species, 1, 0); AWMIMT("mark_gene_species_unmark_rest", "Mark all gene-species, unmark Rest", "R", "gene_species_mark.hlp", AWM_ALL, mark_gene_species, 3, 0); AWMIMT("unmark_gene_species", "Unmark all gene-species", "U", "gene_species_mark.hlp", AWM_ALL, mark_gene_species, 0, 0); AWMIMT("invmark_gene_species", "Invert marks of all gene-species", "I", "gene_species_mark.hlp", AWM_ALL, mark_gene_species, 2, 0); awm->insert_separator(); AWMIMT("mark_gene_species_of_marked_genes", "Mark gene-species of marked genes", "M", "gene_species_mark.hlp", AWM_ALL, mark_gene_species_of_marked_genes, 0, 0); AWMIMT("mark_gene_species_curr_ali", "Mark all gene-species using Current alignment", "C", "gene_species_mark.hlp", AWM_ALL, mark_gene_species_using_current_alignment, 0, 0); } if (submenu) awm->close_sub_menu(); } struct GEN_update_info { AWT_canvas *canvas1; // just canvasses of different windows (needed for updates) AWT_canvas *canvas2; }; void GEN_create_genes_submenu(AW_window_menu_modes *awm, bool for_ARB_NTREE/*, AWT_canvas *ntree_canvas*/) { // gen_assert(ntree_canvas != 0); awm->create_menu("Genome", "G", "no.hlp", AWM_ALL); { #if defined(DEBUG) AWMIMT("debug_awars", "[DEBUG] Show main AWARs", "", "no.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_create_awar_debug_window, 0); awm->insert_separator(); #endif // DEBUG if (for_ARB_NTREE) { AWMIMT( "gene_map", "Gene Map", "p", "gene_map.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_map_first, 0 /*(AW_CL)ntree_canvas*/); // initial gene map awm->insert_separator(); GEN_create_gene_species_submenu(awm, true); // Gene-species GEN_create_organism_submenu (awm, true); // Organisms EXP_create_experiments_submenu (awm, true); // Experiments awm->insert_separator(); } AWMIMT("gene_info", "Gene information", "i", "gene_info.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_create_gene_window, 0); AWMIMT("gene_search", "Search and Query", "Q", "gene_search.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_create_gene_query_window, 0); GEN_create_mask_submenu(awm); awm->insert_separator(); GEN_insert_mark_submenu(awm, "gene_mark_all", "Mark all genes", "M", "gene_mark.hlp", GEN_MARK); GEN_insert_mark_submenu(awm, "gene_unmark_all", "Unmark all genes", "U", "gene_mark.hlp", GEN_UNMARK); GEN_insert_mark_submenu(awm, "gene_invert_marked", "Invert marked genes", "v", "gene_mark.hlp", GEN_INVERT_MARKED); GEN_insert_mark_submenu(awm, "gene_count_marked", "Count marked genes", "C", "gene_mark.hlp", GEN_COUNT_MARKED); AWMIMT( "gene_colors", "Colors ...", "l", "mark_colors.hlp", AWM_ALL,AW_POPUP, (AW_CL)GEN_create_gene_colorize_window, 0); awm->insert_separator(); AWMIMT("mark_genes_of_marked_gene_species", "Mark genes of marked gene-species", "g", "gene_mark.hlp", AWM_ALL, mark_genes_of_marked_gene_species, 0, 0); awm->insert_separator(); GEN_insert_extract_submenu(awm, "gene_extract_marked", "Extract marked genes", "E", "gene_extract.hlp"); if (!for_ARB_NTREE) { // only in ARB_GENE_MAP: awm->insert_separator(); GEN_insert_mark_submenu(awm, "gene_mark_hidden", "Mark hidden genes", "", "gene_hide.hlp", GEN_MARK_HIDDEN); GEN_insert_mark_submenu(awm, "gene_mark_visible", "Mark visible genes", "", "gene_hide.hlp", GEN_MARK_VISIBLE); awm->insert_separator(); GEN_insert_mark_submenu(awm, "gene_unmark_hidden", "Unmark hidden genes", "", "gene_hide.hlp", GEN_UNMARK_HIDDEN); GEN_insert_mark_submenu(awm, "gene_unmark_visible", "Unmark visible genes", "", "gene_hide.hlp", GEN_UNMARK_VISIBLE); } } } #undef AWMIMT void GEN_create_hide_submenu(AW_window_menu_modes *awm) { awm->create_menu("Hide","H","no.hlp", AWM_ALL); { GEN_insert_hide_submenu(awm, "gene_hide_marked", "Hide marked genes", "H", "gene_hide.hlp", GEN_HIDE_MARKED); GEN_insert_hide_submenu(awm, "gene_unhide_marked", "Unhide marked genes", "U", "gene_hide.hlp", GEN_UNHIDE_MARKED); GEN_insert_hide_submenu(awm, "gene_invhide_marked", "Invert-hide marked genes", "v", "gene_hide.hlp", GEN_INVERT_HIDE_MARKED); awm->insert_separator(); GEN_insert_hide_submenu(awm, "gene_hide_all", "Hide all genes", "", "gene_hide.hlp", GEN_HIDE_ALL); GEN_insert_hide_submenu(awm, "gene_unhide_all", "Unhide all genes", "", "gene_hide.hlp", GEN_UNHIDE_ALL); GEN_insert_hide_submenu(awm, "gene_invhide_all", "Invert-hide all genes", "", "gene_hide.hlp", GEN_INVERT_HIDE_ALL); } } void GEN_set_display_style(AW_window *aww, AW_CL cl_style) { GEN_DisplayStyle style = (GEN_DisplayStyle)cl_style; GEN_map_window *win = dynamic_cast(aww); gen_assert(win); win->get_root()->awar(AWAR_GENMAP_DISPLAY_TYPE(win->get_nr()))->write_int(style); win->get_graphic()->set_display_style(style); GEN_map_window_zoom_reset_and_refresh(win); } // ____________________________________________________________ // start of implementation of class GEN_map_window:: void GEN_map_window::init(AW_root *awr) { { char *windowName = (window_nr == 0) ? strdup("ARB Gene Map") : GBS_global_string_copy("ARB Gene Map %i", window_nr); AW_window_menu_modes::init(awr, "ARB_GENE_MAP", windowName, 200, 200); free(windowName); } GEN_create_genemap_local_awars(awr, AW_ROOT_DEFAULT, window_nr); gen_graphic = new GEN_graphic(awr, GLOBAL_gb_main, GEN_gene_container_cb_installer, window_nr); AW_gc_manager aw_gc_manager; gen_canvas = new AWT_canvas(GLOBAL_gb_main, this, gen_graphic, aw_gc_manager, AWAR_SPECIES_NAME); GEN_add_local_awar_callbacks(awr, AW_ROOT_DEFAULT, this); { GB_transaction ta(GLOBAL_gb_main); gen_graphic->reinit_gen_root(gen_canvas, false); } gen_canvas->recalc_size(); gen_canvas->refresh(); gen_canvas->set_mode(AWT_MODE_SELECT); // Default-Mode // -------------- // menus // -------------- // File Menu create_menu("File", "F", "no.hlp", AWM_ALL ); insert_menu_topic( "close", "Close", "C","quit.hlp", AWM_ALL, (AW_CB)AW_POPDOWN, 0, 0); insert_menu_topic( "new_view", "New view", "v","new_view.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_map,(AW_CL)window_nr+1); GEN_create_genes_submenu(this, false/*, ntree_canvas*/); // Genes GEN_create_gene_species_submenu(this, false/*, ntree_canvas*/); // Gene-species GEN_create_organism_submenu(this, false/*, ntree_canvas*/); // Organisms EXP_create_experiments_submenu(this, false); // Experiments GEN_create_hide_submenu(this); // Hide Menu // Properties Menu create_menu("Properties","r","no.hlp", AWM_ALL); insert_menu_topic("gene_props_menu", "Menu: Colors and Fonts ...", "M","props_frame.hlp", AWM_ALL, AW_POPUP, (AW_CL)AW_preset_window, 0 ); // @@@ FIXME: replace AW_preset_window by local function returning same window for all mapped views insert_menu_topic("gene_props", "GENEMAP: Colors and Fonts ...","C","gene_props_data.hlp",AWM_ALL, AW_POPUP, (AW_CL)AW_create_gc_window, (AW_CL)aw_gc_manager ); // @@@ FIXME: replace AW_create_gc_window by local function returning same window for all mapped views insert_menu_topic("gene_layout", "Layout", "L", "gene_layout.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_create_layout_window, 0); insert_menu_topic("gene_options", "Options", "O", "gene_options.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_create_options_window, 0); insert_menu_topic("gene_nds", "NDS ( Select Gene Information ) ...", "N","props_nds.hlp", AWM_ALL, AW_POPUP, (AW_CL)GEN_open_nds_window, (AW_CL)GLOBAL_gb_main ); insert_menu_topic("gene_save_props", "Save Defaults (in ~/.arb_prop/ntree.arb)", "D","savedef.hlp", AWM_ALL, (AW_CB) AW_save_defaults, 0, 0 ); // --------------------- // mode buttons // --------------------- create_mode("select.bitmap", "gen_mode.hlp", AWM_ALL, GEN_mode_event, (AW_CL)this, (AW_CL)AWT_MODE_SELECT); create_mode("pzoom.bitmap", "gen_mode.hlp", AWM_ALL, GEN_mode_event, (AW_CL)this, (AW_CL)AWT_MODE_ZOOM); create_mode("info.bitmap", "gen_mode.hlp", AWM_ALL, GEN_mode_event, (AW_CL)this, (AW_CL)AWT_MODE_MOD); // ------------------ // info area // ------------------ set_info_area_height( 250 ); at(11,2); auto_space(2,-2); shadow_width(1); // close + undo button, info area, define line y-positions: int cur_x, cur_y, start_x, first_line_y, second_line_y, third_line_y; get_at_position( &start_x,&first_line_y); button_length(6); at(start_x, first_line_y); help_text("quit.hlp"); callback((AW_CB0)AW_POPDOWN); create_button("Close", "Close"); get_at_position( &cur_x,&cur_y ); int gene_x = cur_x; at_newline(); get_at_position( &cur_x,&second_line_y); at(start_x, second_line_y); help_text("undo.hlp"); callback(GEN_undo_cb,(AW_CL)GB_UNDO_UNDO); create_button("Undo", "Undo"); at_newline(); get_at_position( &cur_x,&third_line_y); button_length(AWAR_FOOTER_MAX_LEN); create_button(0,AWAR_FOOTER); at_newline(); get_at_position( &cur_x,&cur_y ); set_info_area_height( cur_y+6 ); // gene+species buttons: button_length(20); at(gene_x, first_line_y); help_text("organism_search.hlp"); callback( AW_POPUP, (AW_CL)ad_create_query_window, 0); // @@@ hier sollte eine Art "Organism-Search" verwendet werden (AWT_organism_selector anpassen) create_button("SEARCH_ORGANISM", AWAR_LOCAL_ORGANISM_NAME(window_nr)); at(gene_x, second_line_y); help_text("gene_search.hlp"); callback( AW_POPUP, (AW_CL)GEN_create_gene_query_window, 0); create_button("SEARCH_GENE",AWAR_LOCAL_GENE_NAME(window_nr)); get_at_position( &cur_x,&cur_y ); int lock_x = cur_x; at(lock_x, first_line_y); create_toggle(AWAR_LOCAL_ORGANISM_LOCK(window_nr)); at(lock_x, second_line_y); create_toggle(AWAR_LOCAL_GENE_LOCK(window_nr)); get_at_position( &cur_x,&cur_y ); int dtype_x1 = cur_x; // display type buttons: button_length(4); at(dtype_x1, first_line_y); help_text("gen_disp_radial.hlp"); callback(GEN_set_display_style,(AW_CL)GEN_DISPLAY_STYLE_RADIAL); create_button("RADIAL_DISPLAY_TYPE", "#gen_radial.bitmap",0); help_text("gen_disp_book.hlp"); callback(GEN_set_display_style,(AW_CL)GEN_DISPLAY_STYLE_BOOK); create_button("BOOK_DISPLAY_TYPE", "#gen_book.bitmap",0); get_at_position( &cur_x,&cur_y ); int jump_x = cur_x; at(dtype_x1, second_line_y); help_text("gen_disp_vertical.hlp"); callback(GEN_set_display_style,(AW_CL)GEN_DISPLAY_STYLE_VERTICAL); create_button("VERTICAL_DISPLAY_TYPE", "#gen_vertical.bitmap",0); // jump button: button_length(0); at(jump_x, first_line_y); help_text("gen_jump.hlp"); callback(GEN_jump_cb, (AW_CL)true); create_button("Jump", "Jump"); // help buttons: get_at_position( &cur_x,&cur_y ); int help_x = cur_x; at(help_x, first_line_y); help_text("help.hlp"); callback(AW_POPUP_HELP,(AW_CL)"gene_map.hlp"); create_button("HELP", "HELP","H"); at(help_x, second_line_y); callback( AW_help_entry_pressed ); create_button(0,"?"); } // -end- of implementation of class GEN_map_window:. AW_window *GEN_map(AW_root *aw_root, int window_number) { // window_number shall be 0 for first window (called from ARB_NTREE) // additional views are always created by the previous window created with GEN_map GEN_map_manager *manager = 0; if (!GEN_map_manager::initialized()) { // first call gen_assert(window_number == 0); // has to be 0 for first call GEN_map_manager::initialize(aw_root); manager = GEN_map_manager::get_map_manager(); // creates the manager // global initialization (AWARS etc.) done here : GEN_create_genemap_global_awars(aw_root, AW_ROOT_DEFAULT); GEN_add_global_awar_callbacks(aw_root); { GB_transaction dummy(GLOBAL_gb_main); GEN_make_node_text_init(GLOBAL_gb_main); } } else { manager = GEN_map_manager::get_map_manager(); } GEN_map_window *gmw = manager->get_map_window(window_number); return gmw; #if 0 static AW_window *aw_gen = 0; if (!aw_gen) { // do not open window twice { GB_transaction dummy(gb_main); GEN_make_node_text_init(gb_main); } aw_gen = GEN_map_create_main_window(aw_root, nt_canvas); if (!aw_gen) { aw_message("Couldn't start Gene-Map"); return 0; } } aw_gen->show(); return aw_gen; #endif } AW_window *GEN_map_first(AW_root *aw_root) { return GEN_map(aw_root, 0); } ./arbsrc_9167/GENOM/GEN_map.hxx0000644012664100000130000000101111440743000015765 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_MAP_HXX #define GEN_MAP_HXX #else #error GEN_map.hxx included twice #endif // GEN_MAP_HXX ./arbsrc_9167/GENOM/GEN_nds.cxx0000644012664100000130000003506511440743000016007 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include #include "GEN_interface.hxx" #define gen_assert(bed) arb_assert(bed) using namespace std; // Note: this file is based on ../AWT/AWT_nds.cxx #define GEN_NDS_COUNT 10 #define GEN_NDS_STRING_SIZE 4000 struct make_node_text_struct { char buf[GEN_NDS_STRING_SIZE]; char zbuf[GEN_NDS_COUNT]; long lengths[GEN_NDS_COUNT]; long rek[GEN_NDS_COUNT]; char *dkeys[GEN_NDS_COUNT]; char *parsing[GEN_NDS_COUNT]; // long inherit[GEN_NDS_COUNT]; long count; int errorclip; } *gen_nds_ms = 0; // ----------------------------------------------------- // void GEN_make_node_text_init(GBDATA *gb_main) // ----------------------------------------------------- void GEN_make_node_text_init(GBDATA *gb_main) { GBDATA *gbz,*gbe; const char *sf, *sl; int count; sf = "flag1"; sl = "len1"; if (!gen_nds_ms) gen_nds_ms = (struct make_node_text_struct *) GB_calloc(sizeof(struct make_node_text_struct),1); GBDATA *gb_arb_presets = GB_search(gb_main,"arb_presets",GB_CREATE_CONTAINER); count = 0; for (gbz = GB_entry(gb_arb_presets, "gene_viewkey"); gbz; gbz = GB_nextEntry(gbz)) { /* toggle set ? */ if (GB_read_int(GB_entry(gbz, sf))) { freeset(gen_nds_ms->dkeys[count], GB_read_string(GB_entry(gbz, "key_text"))); if (GB_first_non_key_char(gen_nds_ms->dkeys[count])) { gen_nds_ms->rek[count] = 1; } else { gen_nds_ms->rek[count] = 0; } gen_nds_ms->lengths[count] = GB_read_int(GB_entry(gbz, sl)); // gen_nds_ms->inherit[count] = GB_read_int(GB_entry(gbz, "inherit")); gbe = GB_entry(gbz, "pars"); freeset(gen_nds_ms->parsing[count], 0); if (gbe && GB_read_string_count(gbe)>1 ) gen_nds_ms->parsing[count] = GB_read_string(gbe); count++; } } gen_nds_ms->errorclip = 0; gen_nds_ms->count = count; } // ----------------------------------------------------------------------------- // char *GEN_make_node_text_nds(GBDATA *gb_main, GBDATA * gbd, int mode) // ----------------------------------------------------------------------------- char *GEN_make_node_text_nds(GBDATA *gb_main, GBDATA * gbd, int mode) { /* if mode ==0 compress info else format info */ char *bp; GBDATA *gbe; long i, j; long first; // GBT_TREE *father; bp = gen_nds_ms->buf; gb_assert(gbd); // if (!gbd) { // static char hae[] = "??????"; // if (!species) return hae; // sprintf(gen_nds_ms->buf,"<%s>",species->name); // return gen_nds_ms->buf; // } first = 0; for (i = 0; i < gen_nds_ms->count; i++) { if (gen_nds_ms->rek[i]) { /* hierarchical key */ gbe = GB_search(gbd,gen_nds_ms->dkeys[i],0); }else{ /* flat entry */ gbe = GB_entry(gbd, gen_nds_ms->dkeys[i]); } // if (!gbe && gen_nds_ms->inherit[i] && species ) { // for ( father = species->father; // father && !gbe; // father = father->father){ // if (father->gb_node){ // gbe = GB_entry(father->gb_node, gen_nds_ms->dkeys[i]); // } // } // } if (!mode && !gbe) continue; if (!mode && first) { (*bp++) = ','; } (*bp++) = ' '; first++; if (gbe) { switch (GB_read_type(gbe)) { case GB_INT: if (mode) { char buf[20]; sprintf(buf,"%%%lii", gen_nds_ms->lengths[i]); sprintf(bp, buf, GB_read_int(gbe)); } else { sprintf(bp, "%li", GB_read_int(gbe)); } bp += strlen(bp); break; case GB_BYTE: if (mode) { char buf[20]; sprintf(buf,"%%%lii", gen_nds_ms->lengths[i]); sprintf(bp, buf, GB_read_byte(gbe)); } else { sprintf(bp, "%i", GB_read_byte(gbe)); } bp += strlen(bp); break; case GB_STRING: { long post; long dlen; char *pars = 0; const char *p = 0; if (gen_nds_ms->parsing[i]) { char *p2 = GB_read_string(gbe); pars = GB_command_interpreter(gb_main, p2, gen_nds_ms->parsing[i],gbd, 0); free(p2); if (!pars){ pars = strdup(""); if (!gen_nds_ms->errorclip++) { aw_message(GB_await_error()); } } p = pars; } else { p = GB_read_char_pntr(gbe); } dlen = gen_nds_ms->lengths[i]; if (dlen + (bp - gen_nds_ms->buf) +256 > GEN_NDS_STRING_SIZE) { dlen = GEN_NDS_STRING_SIZE - 256 - (bp - gen_nds_ms->buf); } if (dlen> 0){ int len = strlen(p); j = len; if (j > dlen) j = dlen; for (; j; j--) *bp++ = *p++; if (mode){ post = dlen - len; while (post-- > 0) *(bp++) = ' '; } } if (pars) free(pars); break; } case GB_FLOAT: sprintf(bp, "%4.4f", GB_read_float(gbe)); bp += strlen(bp); break; default: break; } } else if (mode) { j = gen_nds_ms->lengths[i]; if (j + (bp - gen_nds_ms->buf) + 256 > GEN_NDS_STRING_SIZE) { j = GEN_NDS_STRING_SIZE - 256 - (bp - gen_nds_ms->buf); } for (; j > 0; j--) *(bp++) = ' '; } } /* for */ *bp = 0; return gen_nds_ms->buf; } void GEN_create_nds_vars(AW_root *aw_root,AW_default awdef,GBDATA *gb_main, GB_CB NDS_changed_callback) { GB_ERROR error = GB_push_transaction(gb_main); GBDATA *gb_arb_presets = GB_search(gb_main,"arb_presets",GB_CREATE_CONTAINER); GBDATA *gb_viewkey = 0; for (int i=0; iawar_string(buf,"",awdef); aw_root->awar(buf)->map(gb_key_text); } } if (!error) { GBDATA *gb_pars = GB_searchOrCreate_string(gb_viewkey, "pars", ""); if (!gb_pars) error = GB_await_error(); else { strcpy(keystart, "pars"); aw_root->awar_string(buf,"",awdef); aw_root->awar(buf)->map(gb_pars); } } if (!error) { GBDATA *gb_flag1 = GB_searchOrCreate_int(gb_viewkey, "flag1", i <= 2 ? 1 : 0); if (!gb_flag1) error = GB_await_error(); else { strcpy(keystart, "flag1"); aw_root->awar_int(buf,0,awdef); aw_root->awar(buf)->map(gb_flag1); } } if (!error) { GBDATA *gb_len1 = GB_searchOrCreate_int(gb_viewkey, "len1", 30); if (!gb_len1) error = GB_await_error(); else { strcpy(keystart, "len1"); aw_root->awar_int(buf,0,awdef); aw_root->awar(buf)->set_minmax(0, GEN_NDS_STRING_SIZE); aw_root->awar(buf)->map(gb_len1); } } } if (!error) { GBDATA *gb_next; gen_assert(GB_has_key(gb_viewkey, "gene_viewkey")); while (!error && (gb_next = GB_nextEntry(gb_viewkey))) { error = GB_delete(gb_next); } } aw_root->awar_string("tmp/gene_viewkey/key_text","",awdef); error = GB_end_transaction(gb_main, error); if (error) aw_message(error); } // --------------------------------------------------------------------------------------- // void GEN_create_select_nds_window(AW_window *aww,char *key_text,AW_CL cgb_main) // --------------------------------------------------------------------------------------- void GEN_create_select_nds_window(AW_window *aww,char *key_text,AW_CL cgb_main) { #warning make this function more general like AWT_popup_select_species_field_window static AW_window *win = 0; AW_root *aw_root = aww->get_root(); aw_root->awar("tmp/gene_viewkey/key_text")->map(key_text); if (!win) { AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "NDS", "NDS_SELECT"); aws->load_xfig("awt/nds_sel.fig"); aws->button_length(13); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE","C"); awt_create_selection_list_on_scandb((GBDATA *)cgb_main, (AW_window*)aws,"tmp/gene_viewkey/key_text", AWT_NDS_FILTER, "scandb","rescandb", &GEN_item_selector, 20, 10); //aw_root->awar(key_text)->add_callback((AW_RCB1)awt_pop_down_select_nds,(AW_CL)aws); win = (AW_window*)aws; } win->activate(); } // ----------------------------------------------------------------------- // AW_window *GEN_open_nds_window(AW_root *aw_root,AW_CL cgb_main) // ----------------------------------------------------------------------- AW_window *GEN_open_nds_window(AW_root *aw_root,AW_CL cgb_main) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init( aw_root, "GENE_NDS_PROPS", "Gene NDS"); aws->load_xfig("awt/nds.fig"); aws->auto_space(10,5); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"props_nds.hlp"); aws->create_button("HELP", "HELP","H"); aws->button_length(13); int dummy,closey; aws->at_newline(); aws->get_at_position( &dummy,&closey ); aws->create_button(0,"K"); aws->at_newline(); int showx,fieldselectx,fieldx, /*inheritx,*/ columnx,srtx,srtux; aws->auto_space(10,0); int i; for ( i=0;iget_at_position( &showx,&dummy ); aws->create_toggle(buf); aws->button_length(20); sprintf(buf,"tmp/gene_viewkey_%i/key_text",i); aws->get_at_position( &fieldx,&dummy ); aws->create_input_field(buf,15); aws->button_length(0); aws->callback((AW_CB)GEN_create_select_nds_window, (AW_CL)strdup(buf),cgb_main); aws->get_at_position( &fieldselectx,&dummy ); aws->create_button("SELECT_NDS","S"); // sprintf(buf,"tmp/gene_viewkey_%i/inherit",i); // aws->get_at_position( &inheritx,&dummy ); // aws->create_toggle(buf); sprintf(buf,"tmp/gene_viewkey_%i/len1",i); aws->get_at_position( &columnx,&dummy ); aws->create_input_field(buf,4); sprintf(buf,"tmp/gene_viewkey_%i/pars",i); aws->get_at_position( &srtx,&dummy ); aws->button_length(0); aws->callback(AWT_create_select_srtaci_window,(AW_CL)strdup(buf),0); aws->create_button("SELECT_SRTACI", "S","S"); aws->get_at_position( &srtux,&dummy ); aws->create_input_field(buf,40); aws->at_newline(); } aws->at(showx,closey); aws->at_x(fieldselectx); aws->create_button(0,"SEL"); aws->at_x(showx); aws->create_button(0,"SHOW"); aws->at_x(fieldx); aws->create_button(0,"FIELD"); // aws->at_x(inheritx); // aws->create_button(0,"INH."); aws->at_x(columnx); aws->create_button(0,"WIDTH"); aws->at_x(srtx); aws->create_button(0,"SRT"); aws->at_x(srtux); aws->create_button(0,"ACI/SRT PROGRAM"); } return aws; } ./arbsrc_9167/GENOM/GEN_nds.hxx0000644012664100000130000000147211440743000016007 0ustar arb_buildcoders/********************************************************************************* * Coded by Ralf Westram (coder@reallysoft.de) in 2001 * * Institute of Microbiology (Technical University Munich) * * http://www.mikro.biologie.tu-muenchen.de/ * *********************************************************************************/ #ifndef GEN_NDS_HXX #define GEN_NDS_HXX void GEN_create_nds_vars(AW_root *aw_root,AW_default awdef,GBDATA *gb_main, GB_CB NDS_changed_callback); AW_window *GEN_open_nds_window(AW_root *aw_root,AW_CL cgb_main); void GEN_make_node_text_init(GBDATA *gb_main); char *GEN_make_node_text_nds(GBDATA *gb_main, GBDATA * gbd, int mode); #else #error GEN_nds.hxx included twice #endif // GEN_NDS_HXX ./arbsrc_9167/GENOM/GEN_translations.cxx0000644012664100000130000002407511440743000017743 0ustar arb_buildcoders// =============================================================== // // // // File : GEN_translations.cxx // // Purpose : supports removal of redundant translations of // // gene CDS // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2009 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include #include #include #include "GEN.hxx" #include "GEN_local.hxx" using namespace std; // ------------------------------------------------- // remove redundant translations from genes #if defined(DEVEL_RALF) # warning add menu-entry to genome-NTREE ("Remove reproduceable translations") #endif // DEVEL_RALF static char *translate_gene_sequence(GBDATA *gb_gene, GB_ERROR& error, int& translated_length, char *startCodon) { // return translation of gene sequence // the start codon is copied into result buffer 'startCodon' (has to be sized 4 bytes) size_t gene_length; char *gene_seq = GBT_read_gene_sequence_and_length(gb_gene, GB_TRUE, 0, &gene_length); if (!gene_seq) error = GB_await_error(); else { // store start codon in result buffer: memcpy(startCodon, gene_seq, 3); startCodon[3] = 0; int arb_transl_table, codon_start; error = AWT_getTranslationInfo(gb_gene, arb_transl_table, codon_start); if (arb_transl_table == -1) arb_transl_table = AWT_embl_transl_table_2_arb_code_nr(1); // use embl table 1 (standard code) if (codon_start == -1) codon_start = 0; // default codon start if (!error) AWT_pro_a_nucs_convert(arb_transl_table, gene_seq, gene_length, codon_start, false, true, true, &translated_length); if (error) { free(gene_seq); gene_seq = 0; } } return gene_seq; } enum GEN_remove_state { GRS_NO_CHANGE = 0, // no translation found GRS_FAILED = 1, // error is set GRS_TRANSLATION_REMOVED = 2, // translation was present, reproducible and has been removed GRS_TRANSLATION_FAILED = 4, // translation differed (wrote ARB translation to field 'ARB_translation') GRS_START_CODON_WRONG = 8, // translation differed only in start codon GRS_NOTE_ADDED = 16, // note has been added }; static GEN_remove_state remove_redundant_translation(GBDATA *gb_gene, bool ignore_start_codon_error, char *errornousCodon, GB_ERROR &error) { // If translation can be re-produced by ARB, // it will be removed // ('ARB_translation' will be removed as well in this case) // Otherwise // a field 'ARB_translation' is inserted, which contains the translation generated by ARB. // // If result is GRS_START_CODON_WRONG, the questionable codon is copied into errornousCodon. // (errornousCodon has to be a buffer with size == 4) // // If another code or codonstart translates fine, a hint shall be written to field 'translation_hint' #if defined(DEVEL_RALF) #warning TODO: If another code or codonstart translates fine, a hint shall be written to field 'translation_hint' #endif // DEVEL_RALF GEN_remove_state result = GRS_NO_CHANGE; error = 0; char *add_note = 0; // will be added as 'ARB_translation_note' (if set) const char *to_remove[] = { "translation", "ARB_translation", "ARB_translation_note", 0 }; #define set_result_bit(s) result = GEN_remove_state(result|s) GBDATA *gb_translation = GB_entry(gb_gene, "translation"); if (gb_translation) { int translated_length; char *generated = translate_gene_sequence(gb_gene, error, translated_length, errornousCodon); if (!generated || translated_length<1) { // insert note and continue add_note = GBS_global_string_copy("Failed to translate gene-sequence (%s)", error); error = 0; set_result_bit(GRS_TRANSLATION_FAILED); } else { if (generated[translated_length-1] == '*') { generated[--translated_length] = 0; // cut off stop codon } const char *original = GB_read_char_pntr(gb_translation); bool remove = false; if (strcmp(generated+1, original+1) == 0) { // most of translation matches if (generated[0] == original[0]) { // start codon matches remove = true; } else { // start codon differs set_result_bit(GRS_START_CODON_WRONG); // report remove = ignore_start_codon_error; // and delete if requested } } if (remove) { // remove translation and related entries GB_ERROR err = 0; int failed_field = -1; for (int r = 0; to_remove[r] && !err; ++r) { GBDATA *gb_remove = GB_entry(gb_gene, to_remove[r]); if (gb_remove) { err = GB_delete(gb_remove); if (err) failed_field = r; } } if (err) error = GBS_global_string("Failed to delete field '%s' (%s)", to_remove[failed_field], err); else { error = GBT_write_byte(gb_gene, "ARB_translation_rm", 1); if (!error) set_result_bit(GRS_TRANSLATION_REMOVED); } } else { error = GBT_write_string(gb_gene, "ARB_translation", generated); if (!error) set_result_bit(GRS_TRANSLATION_FAILED); } } free(generated); } if (add_note && !error) { error = GBT_write_string(gb_gene, "ARB_translation_note", add_note); set_result_bit(GRS_NOTE_ADDED); } if (error) result = GRS_FAILED; free(add_note); return result; #undef set_result_bit } GB_ERROR GEN_testAndRemoveTranslations(GBDATA *gb_gene_data, void (*warn)(AW_CL cd, const char *msg), AW_CL cd, AW_repeated_question *ok_to_ignore_wrong_start_codon) { int ok = 0; // identical translations int failed = 0; // non-identical translations int wrong_start_codon = 0; // translations where start_codon differed int no_entry = 0; // genes w/o 'translation' entry int note_added = 0; // count gene for which a note has been added GB_ERROR error = 0; GB_HASH *wrongStartCodons = GBS_create_hash(50, GB_IGNORE_CASE); for (GBDATA *gb_gene = GB_entry(gb_gene_data, "gene"); gb_gene && !error; gb_gene = GB_nextEntry(gb_gene)) { int retry = 0; for (int Try = 0; Try <= retry && !error; Try++) { error = 0; char startCodon[4]; GEN_remove_state state = remove_redundant_translation(gb_gene, Try, startCodon, error); switch (state) { case GRS_NO_CHANGE: no_entry++; break; case GRS_FAILED: gen_assert(error); break; default: if (state&GRS_TRANSLATION_REMOVED) { ok++; } else { gen_assert(state&GRS_TRANSLATION_FAILED); if (Try == 0) { if (state&GRS_START_CODON_WRONG) { wrong_start_codon++; AW_repeated_question* q = ok_to_ignore_wrong_start_codon; if (q->get_answer("Translation differs only in start codon", "Ignore and remove,Keep translation", "all", false) == 0) { retry++; } else { failed++; } GBS_incr_hash(wrongStartCodons, startCodon); } else if (state&GRS_NOTE_ADDED) { failed++; note_added++; } } else { failed++; } } break; } } } if (!error && failed>0) { warn(cd, GBS_global_string("%i translations could not be reproduced by ARB", failed)); static bool first_warning = true; if (first_warning) { // show details once warn(cd, "Note: Reproducible translations were removed from database.\n" " Failed translations were left in database and an additional\n" " field 'ARB_translation' was added."); warn(cd, GBS_global_string("- %i genes had no translation entry", no_entry)); warn(cd, GBS_global_string("- %i translations were reproducible", ok)); first_warning = false; } if (wrong_start_codon>0) { char *codonInfo = GBS_hashtab_2_string(wrongStartCodons); warn(cd, GBS_global_string("- %i translations had wrong start codon (%s)", wrong_start_codon, codonInfo)); free(codonInfo); } if (note_added>0) { warn(cd, GBS_global_string("- %i ARB_translation_note entries were generated. Please examine!", note_added)); } } GBS_free_hash(wrongStartCodons); return error; } ./arbsrc_9167/GENOM_IMPORT/DBwriter.cxx0000644012664100000130000003714411440742777017372 0ustar arb_buildcoders// ================================================================ // // // // File : DBwriter.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "DBwriter.h" #define AW_RENAME_SKIP_GUI #include #include #include #include #include #include #include #define ARB_GENE_REF "ARB_is_gene" using namespace std; typedef SmartCustomPtr(GEN_position, GEN_free_position) GEN_positionPtr; // -------------------------------------------------------------------------------- void DBerror::init(const string& msg, GB_ERROR gberror) { gi_assert(gberror); if (gberror) err = msg+" (Reason: "+gberror+")"; else err = msg; // ndebug! } DBerror::DBerror() { init("", GB_await_error()); } DBerror::DBerror(const char *msg) { string errmsg(msg); init(errmsg, GB_await_error()); } DBerror::DBerror(const string& msg) { init(msg, GB_await_error()); } DBerror::DBerror(const char *msg, GB_ERROR gberror) { string errmsg(msg); init(errmsg, gberror); } DBerror::DBerror(const string& msg, GB_ERROR gberror) { init(msg, gberror); } // -------------------------------------------------------------------------------- // DB access functions, throwing DBerror on failure static GBDATA *DB_create_container(GBDATA *parent, const char *name, bool mark) { // create container (optionally set mark flag) GBDATA *gb_container = GB_create_container(parent, name); if (!gb_container) throw DBerror(GBS_global_string("Failed to create container '%s'", name)); if (mark) { GB_ERROR err = GB_write_flag(gb_container, 1); if (err) throw DBerror(GBS_global_string("Failed to mark %s", name), err); } return gb_container; } static GBDATA *DB_create_string_field(GBDATA *parent, const char *field, const char *content) { // create field with content gi_assert(content[0]); // do NOT WRITE empty string-fields into ARB DB, // cause ARB DB does not differ between empty content and non-existing fields // (i.e. when writing an empty string, ARB removes the field) GBDATA *gb_field = GB_create(parent, field, GB_STRING); if (!gb_field) throw DBerror(GBS_global_string("Failed to create field '%s'", field)); GB_ERROR err = GB_write_string(gb_field, content); if (err) throw DBerror(GBS_global_string("Failed to write to field '%s'", field), err); return gb_field; } static GBDATA *DB_create_byte_field(GBDATA *parent, const char *field, unsigned char content) { // create field with content GBDATA *gb_field = GB_create(parent, field, GB_BYTE); if (!gb_field) throw DBerror(GBS_global_string("Failed to create field '%s'", field)); GB_ERROR err = GB_write_byte(gb_field, content); if (err) throw DBerror(GBS_global_string("Failed to write to field '%s'", field), err); return gb_field; } // -------------------------------------------------------------------------------- void DBwriter::createOrganism(const string& flatfile, const char *importerTag) { gi_assert(!gb_organism && !gb_gene_data); // create the organism { UniqueNameDetector& UND_species = *session.und_species; char *organism_name = AWTC_makeUniqueShortName("genome", UND_species); if (!organism_name) throw DBerror(); gb_organism = DB_create_container(session.gb_species_data, "species", true); DB_create_string_field(gb_organism, "name", organism_name); UND_species.add_name(organism_name); free(organism_name); } // store info about source DB_create_string_field(gb_organism, "ARB_imported_from", flatfile.c_str()); DB_create_string_field(gb_organism, "ARB_imported_format", importerTag); } class NoCaseCmp { static bool less_nocase(char c1, char c2) { return toupper(c1) < toupper(c2); } static bool nonequal_nocase(char c1, char c2) { return toupper(c1) != toupper(c2); } public: NoCaseCmp() {} bool operator()(const string& s1, const string& s2) { return lexicographical_compare(s1.begin(), s1.end(), s2.begin(), s2.end(), less_nocase); } static bool has_prefix(const string& s1, const string& s2) { // return true if s1 starts with prefix s2 return s1.length() >= s2.length() && !lexicographical_compare(s1.begin(), s1.begin()+s2.length(), s2.begin(), s2.end(), nonequal_nocase); } }; typedef map TranslateMap; struct Translator { TranslateMap trans; }; Translator *DBwriter::unreserve = 0; const string& DBwriter::getUnreservedQualifier(const string& qualifier) { // return a non-reserved qualifier // (some are reserved - e.g. name, pos_start, ... and all starting with 'ARB_') // if a qualifier is reserved, 'ORG_' is prepended. // // (Note: When we'll export data, 'ORG_' shall be removed from qualifiers!) static string prefix = "ORG_"; if (!unreserve) { unreserve = new Translator; const char *reserved[] = { "name", "type", "pos_start", "pos_stop", "pos_complement", "pos_certain", "pos_joined", 0 }; for (int i = 0; reserved[i]; ++i) { unreserve->trans[reserved[i]] = prefix+reserved[i]; } } TranslateMap::const_iterator found = unreserve->trans.find(qualifier); if (found != unreserve->trans.end()) { // qualifier is reserved return found->second; } if (NoCaseCmp::has_prefix(qualifier, prefix) || // qualifier starts with 'ORG_' NoCaseCmp::has_prefix(qualifier, "ARB_")) // or 'ARB_' { unreserve->trans[qualifier] = prefix+qualifier; // add as 'ORG_ORG_' or 'ORG_ARB_' to TranslateMap return unreserve->trans[qualifier]; } return qualifier; } void DBwriter::writeFeature(const Feature& feature) { gi_assert(gb_organism); if (!gb_gene_data) { gb_gene_data = DB_create_container(gb_organism, "gene_data", false); generatedGenes.clear(); } // create new gene GBDATA *gb_gene; { string gene_name = feature.createGeneName(); NameCounter::iterator existing = generatedGenes.find(gene_name); if (existing == generatedGenes.end()) { // first occurrence of that gene name generatedGenes[gene_name] = 1; } else { existing->second++; // increment occurrences } gb_gene = DB_create_container(gb_gene_data, "gene", false); DB_create_string_field(gb_gene, "name", gene_name.c_str()); string type = feature.getType(); DB_create_string_field(gb_gene, "type", type.c_str()); if (type == "source") { DB_create_byte_field(gb_gene, ARB_HIDDEN, 1); } } // store location { GEN_positionPtr pos = feature.getLocation().create_GEN_position(); GB_ERROR err = GEN_write_position(gb_gene, &*pos); if (err) throw DBerror("Failed to write location", err); } // store qualifiers { const stringMap& qualifiers = feature.getQualifiers(); stringMapCIter e = qualifiers.end(); for (stringMapCIter i = qualifiers.begin(); i != e; ++i) { const string& unreserved = getUnreservedQualifier(i->first); DB_create_string_field(gb_gene, unreserved.c_str(), i->second.c_str()); } } } void DBwriter::writeSequence(const SequenceBuffer& seqData) { gi_assert(gb_organism); GBDATA *gb_data = GBT_add_data(gb_organism, ali_name, "data", GB_STRING); if (!gb_data) throw DBerror("Failed to create alignment"); GB_ERROR err = GB_write_string(gb_data, seqData.getSequence()); if (err) throw DBerror("Failed to write alignment", err); } void DBwriter::renumberDuplicateGenes() { NameCounter renameCounter; // for those genes which get renumbered, count upwards here { NameCounter::iterator gg_end = generatedGenes.end(); for (NameCounter::iterator gg = generatedGenes.begin(); gg != gg_end; ++gg) { if (gg->second > 1) renameCounter[gg->first] = 0; } } NameCounter::iterator rc_end = renameCounter.end(); for (GBDATA *gb_gene = GB_entry(gb_gene_data, "gene"); gb_gene; gb_gene = GB_nextEntry(gb_gene)) { GBDATA *gb_name = GB_entry(gb_gene, "name"); string gene_name = GB_read_char_pntr(gb_name); NameCounter::iterator rc = renameCounter.find(gene_name); if (rc != rc_end) { // rename current_gene int maxOccurrences = generatedGenes[gene_name]; rc->second++; // increment occurrence counter gi_assert(rc->second <= maxOccurrences); int digits = strlen(GBS_global_string("%i", maxOccurrences)); gene_name += GBS_global_string("_%0*i", digits, rc->second); GB_ERROR err = GB_write_string(gb_name, gene_name.c_str()); if (err) throw DBerror("Failed to write to field 'name' (during gene-renumbering)", err); } } } static void importerWarning(AW_CL cl_importer, const char *message) { Importer *importer = reinterpret_cast(cl_importer); importer->warning(message); } void DBwriter::testAndRemoveTranslations(Importer& importer) { GEN_testAndRemoveTranslations(gb_gene_data, importerWarning, reinterpret_cast(&importer), session.ok_to_ignore_wrong_start_codon); } // ---------------------------------------------- // hide duplicated genes (from genebank) inline bool operator<(const GEN_positionPtr& A, const GEN_positionPtr& B) { const GEN_position& a = *A; const GEN_position& b = *B; int cmp = int(a.start_pos[0]) - int(b.start_pos[0]); if (!cmp) { cmp = int(a.stop_pos[a.parts-1]) - int(b.stop_pos[b.parts-1]); if (!cmp) { cmp = int(a.parts) - int(b.parts); // less parts is < if (!cmp) { for (int p = 0; pstart_pos[0], pos->stop_pos[pos->parts-1], pos->parts); } void dump() { GB_dump(gb_Gene); } #endif // DEBUG }; inline bool operator<(const PosGene& a, const PosGene& b) { return a.getPosition() < b.getPosition(); } inline bool operator == (const PosGene& a, const PosGene& b) { return !(a PosGenePtr; void DBwriter::hideUnwantedGenes() { typedef vector Genes; typedef Genes::iterator GeneIter; GBDATA *gb_gene; Genes gps; // read all gene positions for (gb_gene = GB_entry(gb_gene_data, "gene"); gb_gene; gb_gene = GB_nextEntry(gb_gene)) { gps.push_back(PosGene(gb_gene)); } sort(gps.begin(), gps.end()); // sort positions // find duplicate geness (with identical location) GeneIter end = gps.end(); GeneIter p = gps.begin(); GeneIter firstEqual = p; GeneIter lastEqual = p; while (firstEqual != end) { ++p; if (p != end && *p == *firstEqual) { lastEqual = p; } else { // found different element (or last) int count = lastEqual-firstEqual+1; if (count>1) { // we have 2 or more duplicate genes GeneIter equalEnd = lastEqual+1; GeneIter gene = find_if(firstEqual, equalEnd, hasType("gene")); // locate 'type' == 'gene' if (gene != equalEnd) { // found type gene bool hideGene = false; GeneIter e = firstEqual; const char *gene_name = gene->getName(); while (e != equalEnd) { if (e != gene) { // for all genes that have 'type' != 'gene' e->addRefToGene(gene_name); // add a reference to the gene hideGene = true; // and hide the gene } ++e; } if (hideGene) gene->hide(); } } firstEqual = lastEqual = p; } } } void DBwriter::finalizeOrganism(const MetaInfo& meta, const References& refs, Importer& importer) { // write metadata { const stringMap& entries = meta.getEntries(); stringMapCIter e = entries.end(); for (stringMapCIter i = entries.begin(); i != e; ++i) { const string& content = i->second; if (!content.empty()) { // skip empty entries DB_create_string_field(gb_organism, i->first.c_str(), content.c_str()); } } } // write references { stringSet refKeys; refs.getKeys(refKeys); stringSetIter e = refKeys.end(); for (stringSetIter i = refKeys.begin(); i != e; ++i) { DB_create_string_field(gb_organism, i->c_str(), refs.tagged_content(*i).c_str()); } } // finalize genes data if (gb_gene_data) { renumberDuplicateGenes(); // renumber genes with equal names testAndRemoveTranslations(importer); // test translations and remove reproducable translations hideUnwantedGenes(); } else GB_warning("No genes have been written (missing feature table?)"); // cleanup generatedGenes.clear(); gb_gene_data = 0; gb_organism = 0; } void DBwriter::deleteStaticData() { if (unreserve) { delete unreserve; unreserve = NULL; } } ./arbsrc_9167/GENOM_IMPORT/DBwriter.h0000644012664100000130000000543511440742777017015 0ustar arb_buildcoders// ================================================================ // // // // File : DBwriter.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef DBWRITER_H #define DBWRITER_H #ifndef METAINFO_H #include "MetaInfo.h" #endif #ifndef FEATURE_H #include "Feature.h" #endif #ifndef SEQUENCEBUFFER_H #include "SequenceBuffer.h" #endif #ifndef IMPORTER_H #include "Importer.h" #endif #ifndef GENOMEIMPORT_H #include "GenomeImport.h" #endif #ifndef ARBDB_H #include #endif class UniqueNameDetector; class DBerror { // error class used for DB errors string err; // error message void init(const string& msg, GB_ERROR gberror); public: DBerror(); DBerror(const char *msg); DBerror(const string& msg); DBerror(const char *msg, GB_ERROR gberror); DBerror(const string& msg, GB_ERROR gberror); const string& getMessage() const { return err; } }; typedef map NameCounter; class Translator; class DBwriter : public Noncopyable { const char *ali_name; ImportSession& session; // following data is valid for one organism write : GBDATA *gb_organism; // current organism GBDATA *gb_gene_data; // current gene data NameCounter generatedGenes; // helper to create unique gene names (key = name, value = count occurances) void testAndRemoveTranslations(Importer& importer); // test and delete translations (if test was ok). warns via Importer void hideUnwantedGenes(); static Translator *unreserve; static const string& getUnreservedQualifier(const string& qualifier); public: DBwriter(ImportSession& session_, const char *Ali_name) // : gb_species_data(Gb_species_data) : ali_name(Ali_name) // , UND_species(Und_species) , session(session_) , gb_organism(0) , gb_gene_data(0) {} void createOrganism(const string& flatfile, const char *importerTag); void writeFeature(const Feature& feature); void writeSequence(const SequenceBuffer& seqData); void renumberDuplicateGenes(); void finalizeOrganism(const MetaInfo& meta, const References& refs, Importer& importer); static void deleteStaticData(); }; #else #error DBwriter.h included twice #endif // DBWRITER_H ./arbsrc_9167/GENOM_IMPORT/defs.h0000644012664100000130000000221111440742777016201 0ustar arb_buildcoders// ================================================================ // // // // File : defs.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef DEFS_H #define DEFS_H #ifndef _CPP_STRING #include #endif using std::string; #ifndef ARB_ASSERT_H #include #endif #ifndef ARBTOOLS_H #include #endif #define gi_assert(cond) arb_assert(cond) // simple helper functions from ARBDB extern "C" { const char *GBS_global_string(const char *templat, ...) __attribute__((format(printf, 1, 2))); } #else #error defs.h included twice #endif // DEFS_H ./arbsrc_9167/GENOM_IMPORT/Feature.cxx0000644012664100000130000001133311440742777017233 0ustar arb_buildcoders// ================================================================ // // // // File : Feature.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "Feature.h" #include using namespace std; Feature::Feature(const string& Type, const string& locationString) : type(Type) , location(parseLocation(locationString)) { } inline void setOrAppendQualifiedEntry(stringMap& qualifiers, const string& qualifier, const string& value) { stringMapIter existing = qualifiers.find(qualifier); if (existing != qualifiers.end()) { // existing qualifier existing->second.append(1, '\n'); // append separated by LF existing->second.append(value); } else { qualifiers[qualifier] = value; } } void Feature::addQualifiedEntry(const string& qualifier, const string& value) { // search for quotes size_t vlen = value.length(); gi_assert(vlen>0); stringCIter start = value.begin(); stringCIter end = start+vlen-1; if (*start == '"') { if (vlen == 1 || *end != '"') { throw GBS_global_string("Unclosed quotes at qualifier '%s'", qualifier.c_str()); } // skip quotes : ++start; // end points to '"' } else { ++end; // point behind last character } setOrAppendQualifiedEntry(qualifiers, qualifier, string(start, end)); } static void appendData(string& id, const string& data, int maxAppend) { // extract alphanumeric text portion from start of 'data' // until some other character is found if (maxAppend >= 2) { size_t old_id_len = id.length(); id.append(1, '_'); maxAppend--; stringCIter end = data.end(); bool insideWord = false; bool seenNonDigit = false; for (stringCIter i = data.begin(); maxAppend>0 && i != end; ++i) { char c = *i; if (isalnum(c)) { if (!insideWord) c = toupper(c); id.append(1, c); maxAppend--; insideWord = true; if (!seenNonDigit && isalpha(c)) { seenNonDigit = true; } } else if (isspace(c) || c == '-') { // ignore space and '-' insideWord = false; } else { break; // anything else -> abort } } if (!seenNonDigit) { // data only contained digits (as far as data has been scanned) id.resize(old_id_len); // undo changes } } } string Feature::createGeneName() const { stringMapCIter not_found = qualifiers.end(); stringMapCIter product = qualifiers.find("product"); stringMapCIter gene = qualifiers.find("gene"); const size_t maxidlen = 30; // just an approx. limit string id = type; // use gene type id.reserve(maxidlen+10); if (gene != not_found) { // append gene name appendData(id, gene->second, maxidlen-id.length()); } if (product != not_found) { appendData(id, product->second, maxidlen-id.length()); } // now ensure that id doesn't end with digit // (if it would, creating unique gene names gets too complicated) if (isdigit(id[id.length()-1])) { if (id.length() == maxidlen) id.resize(maxidlen-1); id.append(1, 'X'); } return id; } void Feature::expectLocationInSequence(long seqLength) const { // test whether feature location is inside sequence // throw error otherwise if (!location->isInRange(1, seqLength)) { throw GBS_global_string("Illegal feature location (outside sequence 1..%li)", seqLength); } } void Feature::fixEmptyQualifiers() { // some qualifiers in feature table may be empty stringMapIter e = qualifiers.end(); for (stringMapIter i = qualifiers.begin(); i != e; ++i) { if (i->second.empty()) { // with all qualifiers, that have no content, do.. if (i->first == "replace") { // ARB cannot store empty strings! // Since '/replace=""' means 'delete location', we need to store this // this information differently. i->second = ""; // } } } } ./arbsrc_9167/GENOM_IMPORT/Feature.h0000644012664100000130000000305511440742777016662 0ustar arb_buildcoders// ================================================================ // // // // File : Feature.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef FEATURE_H #define FEATURE_H #ifndef TYPES_H #include "types.h" #endif #ifndef LOCATION_H #include "Location.h" #endif class Feature { string type; LocationPtr location; stringMap qualifiers; // qualifiers with content (content of multiple identical qualifiers gets merged) public: Feature(const string& Type, const string& locationString); void addQualifiedEntry(const string& qualifier, const string& value); string createGeneName() const; // creates a (non-unique) default name for gene const string& getType() const { return type; } const Location& getLocation() const { return *location; } const stringMap& getQualifiers() const { return qualifiers; } void expectLocationInSequence(long seqLength) const; void fixEmptyQualifiers(); }; #else #error Feature.h included twice #endif // FEATURE_H ./arbsrc_9167/GENOM_IMPORT/GenomeImport.cxx0000644012664100000130000000513611440742777020251 0ustar arb_buildcoders// ================================================================ // // // // File : GenomeImport.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "GenomeImport.h" #include "FileBuffer.h" #include "Importer.h" #include "tools.h" #include "DBwriter.h" #include #define AW_RENAME_SKIP_GUI #include #include using namespace std; GB_ERROR GI_importGenomeFile(ImportSession& session, const char *file_name, const char *ali_name) { GB_ERROR error = 0; try { if (strcmp(ali_name, "ali_genom") != 0) throw "Alignment has to be 'ali_genom'"; FILE *in = fopen(file_name, "rb"); if (!in) throw GBS_global_string("Can't read file '%s' (Reason: %s)", file_name, strerror(errno)); FileBuffer flatfile(file_name, in); flatfile.showFilenameInLineError(false); DBwriter db_writer(session, ali_name); SmartPtr importer; { string line; if (!flatfile.getLine(line)) throw flatfile.lineError("File is empty"); if (beginsWith(line, "LOCUS")) importer = new GenebankImporter(flatfile, db_writer); else if (beginsWith(line, "ID") ) importer = new EmblImporter (flatfile, db_writer); else throw flatfile.lineError("Wrong format. Expected 'LOCUS' or 'ID'"); flatfile.backLine(line); } importer->import(); } catch (const string &err) { error = GBS_global_string("%s", err.c_str()); } catch (const char *err) { error = err; } catch (...) { error = "Unknown exception during import (program error)"; } return error; } ImportSession::ImportSession(GBDATA *gb_species_data_, int estimated_genomes_count) : gb_species_data(gb_species_data_) { und_species = new UniqueNameDetector(gb_species_data, estimated_genomes_count); ok_to_ignore_wrong_start_codon = new AW_repeated_question(); } ImportSession::~ImportSession() { delete ok_to_ignore_wrong_start_codon; delete und_species; DBwriter::deleteStaticData(); } ./arbsrc_9167/GENOM_IMPORT/GenomeImport.h0000644012664100000130000000265711440742777017703 0ustar arb_buildcoders// ================================================================ // // // // File : GenomeImport.h // // Purpose : Genome flat file import // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef GENOMEIMPORT_H #define GENOMEIMPORT_H #ifndef _CPP_CSTDIO #include #endif #ifndef ARBDB_H #include #endif class UniqueNameDetector; class AW_repeated_question; struct ImportSession : Noncopyable { // valid during complete import of multiple files GBDATA *gb_species_data; UniqueNameDetector *und_species; // extended when creating new species AW_repeated_question *ok_to_ignore_wrong_start_codon; ImportSession(GBDATA *gb_species_data_, int estimated_genomes_count); ~ImportSession(); }; GB_ERROR GI_importGenomeFile(ImportSession& session, const char *file_name, const char *ali_name); #else #error GenomeImport.h included twice #endif // GENOMEIMPORT_H ./arbsrc_9167/GENOM_IMPORT/Importer.cxx0000644012664100000130000006630511440742777017452 0ustar arb_buildcoders// ================================================================ // // // // File : Importer.cxx // // Purpose : Genome importer core // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "Importer.h" #include "tools.h" #include "Feature.h" #include "DBwriter.h" using namespace std; //-------------------------------------------------------------------------------- static bool is_escaped(const string& str, size_t pos) { // returns true, if position 'pos' in string 'str' is escaped by '\\' bool escaped = false; if (pos != 0) { // pos 0 can't be escaped if (str[pos-1] == '\\') { // is an escape before pos ? escaped = !is_escaped(str, pos-1); // pos is escaped, if the escape isn't! } } return escaped; } FeatureLine::FeatureLine(const string& line) { // start parsing at position 5 string::size_type first_char = line.find_first_not_of(' ', 5); orgLine = line; if (first_char == 5) { // feature start string::size_type behind_name = line.find_first_of(' ', first_char); string::size_type rest_start = line.find_first_not_of(' ', behind_name); if (rest_start == string::npos) { if (behind_name == string::npos) throw "Expected space behind feature name"; throw "Expected some content behind feature name"; } name = line.substr(first_char, behind_name-first_char); rest = line.substr(rest_start); type = FL_START; } else if (first_char >= 21) { // not feature start if (first_char == 21 && line[first_char] == '/') { // qualifier start string::size_type equal_pos = line.find_first_of('=', first_char); if (equal_pos == string::npos) { // qualifier w/o data (i.e. "/pseudo") name = line.substr(first_char+1); rest = "true"; type = FL_QUALIFIER_NODATA; } else { name = line.substr(first_char+1, equal_pos-first_char-1); rest = line.substr(equal_pos+1); if (rest[0] == '"') { size_t rlen = rest.length(); if (rlen == 1) { // special case: only one open quote behind qualifier type = FL_QUALIFIER_QUOTE_OPENED; } else if (rest[rlen-1] == '"' && !is_escaped(rest, rlen-1)) { // closing non-escaped quote at eol type = FL_QUALIFIER_QUOTED; } else { type = FL_QUALIFIER_QUOTE_OPENED; } } else { type = FL_QUALIFIER; } } } else { // continued line interpret_as_continued_line(); } } else { if (first_char == string::npos) { throw "Expected feature line, found empty line"; } throw GBS_global_string("Expected feature line (first char at pos=%zu unexpected)", first_char); } } void FeatureLine::interpret_as_continued_line() { rest = orgLine.substr(21); if (rest[rest.length()-1] == '"') { type = FL_CONTINUED_QUOTE_CLOSED; } else { type = FL_CONTINUED; } } bool FeatureLine::reinterpret_as_continued_line() { bool ok = false; if (type == FL_QUALIFIER || type == FL_QUALIFIER_NODATA) { string::size_type first_char = orgLine.find_first_not_of(' ', 5); if (first_char >= 21) { interpret_as_continued_line(); ok = true; } } return ok; } //-------------------------------------------------------------------------------- Importer::Importer(FileBuffer& Flatfile, DBwriter& DB_writer, const MetaTag *meta_description) : db_writer(DB_writer) , flatfile(Flatfile) , tagTranslator(meta_description) { } void Importer::warning(const char *msg) { warnings.push_back(msg); } FeatureLinePtr Importer::getFeatureTableLine() { FeatureLinePtr fline; if (pushedFeatureLines.empty()) { // nothing on stack -> read new string line; if (readFeatureTableLine(line)) fline = new FeatureLine(line); } else { fline = pushedFeatureLines.back(); pushedFeatureLines.pop_back(); } return fline; } FeatureLinePtr Importer::getUnwrappedFeatureTableLine() { FeatureLinePtr fline = getFeatureTableLine(); if (!fline.Null()) { if (fline->type & FL_META_CONTINUED) throw "Expected start of feature or qualifier"; if (0 == (fline->type & (FL_QUALIFIER_NODATA|FL_QUALIFIER_QUOTED))) { // qualifier/featurestart may be wrapped FeatureLinePtr next_fline = getFeatureTableLine(); while (!next_fline.Null() && fline->type != FL_QUALIFIER_QUOTED) // already seen closing quote { if ((next_fline->type&FL_META_CONTINUED) == 0) { // special case: a wrapped line of a quoted qualifier may start with /xxx // (in that case it is misinterpreted as qualifier start) if (fline->type == FL_QUALIFIER_QUOTE_OPENED) { if (!next_fline->reinterpret_as_continued_line()) { throw "did not see end of quoted qualifier (instead found next qualifiert)"; } gi_assert(next_fline->type & FL_META_CONTINUED); } else { break; } } if (next_fline->type == FL_CONTINUED_QUOTE_CLOSED) { if (fline->type != FL_QUALIFIER_QUOTE_OPENED) throw "Unexpected closing quote"; fline->type = FL_QUALIFIER_QUOTED; } else { gi_assert(next_fline->type == FL_CONTINUED); gi_assert(fline->type == FL_START || fline->type == FL_QUALIFIER || fline->type == FL_QUALIFIER_QUOTE_OPENED); } fline->rest.append(next_fline->rest); next_fline = getFeatureTableLine(); } if (!next_fline.Null()) backFeatureTableLine(next_fline); } } return fline; } FeaturePtr Importer::parseFeature() { FeaturePtr feature; FeatureLinePtr fline = getUnwrappedFeatureTableLine(); if (!fline.Null()) { // found a feature table line if (fline->type != FL_START) throw "Expected feature start"; feature = new Feature(fline->name, fline->rest); fline = getUnwrappedFeatureTableLine(); while (!fline.Null() && (fline->type & FL_META_QUALIFIER)) { feature->addQualifiedEntry(fline->name, fline->rest); fline = getUnwrappedFeatureTableLine(); } if (!fline.Null()) backFeatureTableLine(fline); } return feature; } void Importer::parseFeatureTable() { FeaturePtr feature = parseFeature(); while (!feature.Null()) { feature->expectLocationInSequence(expectedSeqLength); feature->fixEmptyQualifiers(); db_writer.writeFeature(*feature); feature = parseFeature(); } } void Importer::show_warnings(const string& import_of_what) { if (!warnings.empty()) { const char *what = import_of_what.c_str(); stringVectorCRIter e = warnings.rend(); for (stringVectorCRIter i = warnings.rbegin(); i != e; ++i) { GB_warningf("Warning: %s: %s", what, i->c_str()); } warnings.clear(); } } void Importer::import() { try { string line; while (flatfile.getLine(line)) { if (!line.empty()) { // silently skip empty lines before or after section flatfile.backLine(line); // cleanup from import of previous section gi_assert(pushedFeatureLines.empty()); // oops - somehow forgot a feature pushedFeatureLines.clear(); warnings.clear(); expectedSeqLength = 0; // reset expected seq. length import_section(); gi_assert(warnings.empty()); gi_assert(pushedFeatureLines.empty()); // oops - somehow forgot a feature } } } catch (const DBerror& err) { throw err.getMessage(); } catch (const string& err) { throw flatfile.lineError(err); } catch (const char *err) { throw flatfile.lineError(err); } } //-------------------------------------------------------------------------------- // Meta information definitions // // // [ please keep the list of common entries in // ../HELP_SOURCE/oldhelp/sp_info.hlp // up to date! ] static MetaTag genebank_meta_description[] = { { "LOCUS", "org_locus", MT_HEADER }, { "REFERENCE", "", MT_REF_START }, { " AUTHORS", "author", MT_REF }, { " TITLE", "title", MT_REF }, { " CONSRTM", "refgrp", MT_REF }, { " JOURNAL", "journal", MT_REF }, { " PUBMED", "pubmed_id", MT_REF }, { " MEDLINE", "medline_id", MT_REF }, { " REMARK", "refremark", MT_REF }, { "DEFINITION", "definition", MT_BASIC }, { "ACCESSION", "acc", MT_BASIC }, { "VERSION", "version", MT_BASIC }, { "KEYWORDS", "keywd", MT_BASIC }, { "SOURCE", "full_name", MT_BASIC }, { " ORGANISM", "tax", MT_BASIC }, { "COMMENT", "comment", MT_BASIC }, { "PROJECT", "projref", MT_BASIC }, { "FEATURES", "", MT_FEATURE_START }, { "CONTIG", "", MT_CONTIG }, { "BASE", "", MT_SEQUENCE_START }, // BASE COUNT (sometimes missing) { "ORIGIN", "", MT_SEQUENCE_START }, // only used if BASE COUNT is missing { "//", "", MT_END }, { "", "", MT_IGNORE }, // End of array }; static MetaTag embl_meta_description[] = { { "ID", "org_id", MT_HEADER }, { "RN", "", MT_REF_START }, { "RA", "author", MT_REF }, { "RC", "auth_comm", MT_REF }, { "RG", "refgrp", MT_REF }, { "RL", "journal", MT_REF }, { "RP", "nuc_rp", MT_REF }, { "RT", "title", MT_REF }, { "RX", "", MT_REF_DBID }, // @@@ extract field 'pubmed_id' ? { "AC", "acc", MT_BASIC }, { "AH", "assembly_header", MT_BASIC }, { "AS", "assembly_info", MT_BASIC }, { "CC", "comment", MT_BASIC }, { "CO", "contig", MT_BASIC }, { "DE", "description", MT_BASIC }, { "DR", "db_xref", MT_BASIC }, { "DT", "date", MT_BASIC }, { "SV", "version", MT_BASIC }, { "KW", "keywd", MT_BASIC }, { "OS", "full_name", MT_BASIC }, { "OC", "tax", MT_BASIC }, { "OG", "organelle", MT_BASIC }, { "PR", "projref", MT_BASIC }, { "FH", "", MT_FEATURE_START }, { "FT", "", MT_FEATURE }, { "SQ", "", MT_SEQUENCE_START }, { "//", "", MT_END }, { "XX", "", MT_IGNORE }, // spacer { "", "", MT_IGNORE }, // End of array }; //-------------------------------------------------------------------------------- GenebankImporter::GenebankImporter(FileBuffer& Flatfile, DBwriter& DB_writer) : Importer(Flatfile, DB_writer, genebank_meta_description) { } bool GenebankImporter::readFeatureTableLine(string& line) { if (flatfile.getLine(line)) { if (beginsWith(line, " ")) { return true; } flatfile.backLine(line); } return false; } static bool splitGenebankTag(const string& line, string& tag, string& content) { // split a line into tag (incl. preceeding spaces) and content // returns true, if line suffices the format requirements // Note: returns tag="" at wrapped lines string::size_type first_non_space = line.find_first_not_of(' '); if (first_non_space == 12 || // no tag, only content (first_non_space == string::npos && line.length() == 12)) { // same with empty content tag = ""; content = line.substr(12); return true; } if (first_non_space>12) return false; string::size_type behind_tag = line.find_first_of(' ', first_non_space); if (behind_tag == string::npos) { // only tag w/o spaces behind tag = line; content = ""; return true; } string::size_type content_start = line.find_first_not_of(' ', behind_tag); if (content_start == string::npos) { // line w/o content content = ""; } else { content = line.substr(content_start); } tag = line.substr(0, behind_tag); return true; } static long scanSeqlenFromLOCUS(const string& locusContent) { StringParser parser(locusContent); parser.extractWord(); // id parser.eatSpaces(); long bp = parser.extractNumber(); parser.eatSpaces(); parser.expectContent("bp"); return bp; } void GenebankImporter::import_section() { MetaInfo meta; References refs; const MetaTag *prevTag = 0; // previously handled tag string prevContent; // previously found content bool seenHeaderLine = false; bool EOS = false; // end of section ? // read header of file while (!EOS) { string line, tag, content; expectLine(line); if (!splitGenebankTag(line, tag, content)) { gi_assert(0); } if (tag.empty()) { // no tag - happens at wrapped lines prevContent.append(1, ' '); prevContent.append(content); } else { // start of new tag const MetaTag *knownTag = findTag(tag); if (!knownTag) throw GBS_global_string("Invalid tag '%s'", tag.c_str()); if (prevTag) { // save previous tag switch (prevTag->type) { case MT_REF: refs.add(prevTag->field, prevContent); break; case MT_BASIC: meta.add(prevTag, prevContent, true); break; case MT_HEADER: meta.add(prevTag, prevContent, true); // save header line // printf("Header not handled yet: '%s'\n", prevContent.c_str()); expectedSeqLength = scanSeqlenFromLOCUS(prevContent); break; case MT_REF_DBID: // embl only default: gi_assert(0); break; } prevTag = 0; } switch (knownTag->type) { case MT_HEADER: if (seenHeaderLine) throw GBS_global_string("Multiple occurrences of tag '%s'", tag.c_str()); seenHeaderLine = true; // fall-through case MT_BASIC: case MT_REF: prevTag = knownTag; prevContent = content; break; case MT_REF_START: refs.start(); // start a new reference break; case MT_FEATURE_START: db_writer.createOrganism(flatfile.getFilename(), "NCBI"); parseFeatureTable(); break; case MT_SEQUENCE_START: parseSequence(knownTag->tag, content); EOS = true; // end of section break; case MT_IGNORE: break; case MT_END: EOS = true; break; case MT_CONTIG: throw GBS_global_string("Cannot import files containing CONTIG"); case MT_REF_DBID: // embl only default: gi_assert(0); throw GBS_global_string("Tag '%s' not expected here", knownTag->tag.c_str()); } } } db_writer.finalizeOrganism(meta, refs, *this); show_warnings(meta.getAccessionNumber()); } //-------------------------------------------------------------------------------- EmblImporter::EmblImporter(FileBuffer& Flatfile, DBwriter& DB_writer) : Importer(Flatfile, DB_writer, embl_meta_description) { } static bool splitEmblTag(const string& line, string& tag, string& content) { // split a line into 2-character tag and content // return true on success (i.e. if line suffices the required format) if (line.length() == 2) { tag = line; content = ""; } else { string::size_type spacer = line.find(" "); // separator between tag and content if (spacer != 2) return false; // expect spacer at pos 2-4 tag = line.substr(0, 2); content = line.substr(5); } return true; } bool EmblImporter::readFeatureTableLine(string& line) { if (flatfile.getLine(line)) { if (beginsWith(line, "FT ")) { return true; } flatfile.backLine(line); } return false; } static long scanSeqlenFromID(const string& idContent) { StringParser parser(idContent); string lastWord = parser.extractWord(); // eat id bool bpseen = false; long bp = -1; while (!bpseen) { parser.eatSpaces(); string word = parser.extractWord(); if (word == "BP.") { // basecount is in word before "BP." bp = atol(lastWord.c_str()); bpseen = true; } else { lastWord = word; } } if (bp == -1) throw "Could not parse bp from header"; return bp; } void EmblImporter::import_section() { MetaInfo meta; References refs; const MetaTag *prevTag = 0; // previously handled tag string prevContent; // previously found content bool prevAppendNL = false; // append '\n' into multiline tags bool seenHeaderLine = false; bool EOS = false; // end of section ? // read header of file while (!EOS) { string line, tag, content; expectLine(line); if (!splitEmblTag(line, tag, content)) { throw "Expected two-character tag at start of line"; } const MetaTag *knownTag = findTag(tag); if (!knownTag) throw GBS_global_string("Invalid tag '%s'", tag.c_str()); if (knownTag == prevTag) { // multiline tag if (prevAppendNL) prevContent.append("\n"); // append a newline to make parsing in add_dbid() more easy prevContent.append(content); // append w/o space - EMBL flatfiles have spaces at EOL when needed } else { // start of new tag if (prevTag) { // save previous tag switch (prevTag->type) { case MT_REF: refs.add(prevTag->field, prevContent); break; case MT_REF_DBID: refs.add_dbid(prevContent); prevAppendNL = false; break; case MT_BASIC: meta.add(prevTag, prevContent, true); break; case MT_HEADER: meta.add(prevTag, prevContent, true); // printf("Header not handled yet: '%s'\n", prevContent.c_str()); expectedSeqLength = scanSeqlenFromID(prevContent); break; default: gi_assert(0); break; } prevTag = 0; } switch (knownTag->type) { case MT_HEADER: if (seenHeaderLine) throw GBS_global_string("Multiple occurrences of tag '%s'", tag.c_str()); seenHeaderLine = true; // fall-through case MT_BASIC: case MT_REF: prevTag = knownTag; prevContent = content; break; case MT_REF_DBID: prevTag = knownTag; prevContent = content; prevAppendNL = true; break; case MT_REF_START: refs.start(); // start a new reference break; case MT_FEATURE: flatfile.backLine(line); db_writer.createOrganism(flatfile.getFilename(), "EMBL"); parseFeatureTable(); break; case MT_SEQUENCE_START: parseSequence(content); EOS = true; // end of section break; case MT_FEATURE_START: case MT_IGNORE: break; default: gi_assert(0); throw GBS_global_string("Tag '%s' not expected here", knownTag->tag.c_str()); } } } db_writer.finalizeOrganism(meta, refs, *this); show_warnings(meta.getAccessionNumber()); } // -------------------------------------------------------------------------------- // sequence readers: inline bool parseCounter(bool expect, BaseCounter& headerCount, StringParser& parser, Base base, const char *word) { // parses part of string (e.g. " 6021225 BP;" or " 878196 A;") // if 'expect' == true -> throw exception if missing // if 'expect' == false -> return false if missing bool found = false; stringCIter start = parser.getPosition(); parser.expectSpaces(0); bool seen_number; long count = parser.eatNumber(seen_number); if (seen_number) { headerCount.addCount(base, count); size_t spaces = parser.eatSpaces(); if (spaces>0) { size_t len = parser.lookingAt(word); if (len>0) { // seen parser.advance(len); found = true; } } } if (!found) { parser.setPosition(start); // reset position if (expect) throw GBS_global_string("Expected counter '### %s', found '%s'", word, parser.rest().c_str()); } return found; } void GenebankImporter::parseSequence(const string& tag, const string& headerline) { SmartPtr headerCount; if (tag == "BASE") { // base count not always present // parse headerline : headerCount = new BaseCounter("sequence header"); { StringParser parser(headerline); parser.expectContent("COUNT"); parseCounter(true, *headerCount, parser, BC_A, "a"); parseCounter(true, *headerCount, parser, BC_C, "c"); parseCounter(true, *headerCount, parser, BC_G, "g"); parseCounter(true, *headerCount, parser, BC_T, "t"); parseCounter(false, *headerCount, parser, BC_OTHER, "others"); // not always present headerCount->calcOverallCounter(); } } // parse sequence data size_t est_seq_size = headerCount.Null() ? 500000 : headerCount->getCount(BC_ALL); SequenceBuffer seqData(est_seq_size); { string line; if (!headerCount.Null()) { // if BASE COUNT was present, check ORIGIN line // otherwise ORIGIN line has already been read expectLine(line); if (!beginsWith(line, "ORIGIN")) throw "Expected 'ORIGIN'"; } bool eos_seen = false; while (!eos_seen) { expectLine(line); if (beginsWith(line, "//")) { eos_seen = true; } else { string data; data.reserve(60); StringParser parser(line); parser.eatSpaces(); // not sure whether there really have to be spaces if number has 9 digits or more size_t cur_pos = (size_t)parser.extractNumber(); size_t datasize = seqData.getBaseCounter().getCount(BC_ALL); if (cur_pos != (datasize+1)) { throw GBS_global_string("Got wrong base position (found=%zu, expected=%zu)", cur_pos, size_t(datasize+1)); } int blocks = 0; while (!parser.atEnd() && parser.at() == ' ') { parser.expectSpaces(1); stringCIter start = parser.pos; stringCIter end = parser.find(' '); data.append(start, end); blocks++; } if (blocks>6) throw "Found more than 6 parts of sequence data"; seqData.addLine(data); } } } if (headerCount.Null()) { warning("No 'BASE COUNT' found. Base counts have not been validated."); } else { headerCount->expectEqual(seqData.getBaseCounter()); } db_writer.writeSequence(seqData); } void EmblImporter::parseSequence(const string& headerline) { // parse headerline: BaseCounter headerCount("sequence header"); { StringParser parser(headerline); parser.expectContent("Sequence"); parseCounter(true, headerCount, parser, BC_ALL, "BP;"); parseCounter(true, headerCount, parser, BC_A, "A;"); parseCounter(true, headerCount, parser, BC_C, "C;"); parseCounter(true, headerCount, parser, BC_G, "G;"); parseCounter(true, headerCount, parser, BC_T, "T;"); parseCounter(true, headerCount, parser, BC_OTHER, "other;"); headerCount.checkOverallCounter(); } // parse sequence data SequenceBuffer seqData(headerCount.getCount(BC_ALL)); { bool eos_seen = false; string line; while (!eos_seen) { expectLine(line); if (beginsWith(line, "//")) { eos_seen = true; } else { string data; data.reserve(60); StringParser parser(line); parser.expectSpaces(5, false); int blocks = 0; while (!parser.atEnd() && isalpha(parser.at())) { stringCIter start = parser.pos; stringCIter end = parser.find(' '); data.append(start, end); blocks++; parser.expectSpaces(1); } if (blocks>6) throw "Found more than 6 parts of sequence data"; size_t basecount = (size_t)parser.extractNumber(); seqData.addLine(data); size_t datasize = seqData.getBaseCounter().getCount(BC_ALL); if (basecount != datasize) { throw GBS_global_string("Got wrong base counter(found=%zu, expected=%zu)", basecount, datasize); } } } } headerCount.expectEqual(seqData.getBaseCounter()); db_writer.writeSequence(seqData); } ./arbsrc_9167/GENOM_IMPORT/Importer.h0000644012664100000130000001021511440742777017064 0ustar arb_buildcoders// ================================================================ // // // // File : Importer.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef IMPORTER_H #define IMPORTER_H #ifndef FILEBUFFER_H #include "FileBuffer.h" #endif #ifndef SMARTPTR_H #include #endif #ifndef METATAG_H #include "MetaTag.h" #endif class DBwriter; class Feature; enum FeatureLineType { FL_START = 1, // start of feature (e.g. 'CDS 352120..353193'). starts at offset 5 // all types below start at offset 21 (or higher): FL_QUALIFIER = 2, // start of qualifier (e.g. '/codon_start=1') FL_QUALIFIER_NODATA = 4, // start of qualifier w/o data (e.g. '/pseudo') FL_QUALIFIER_QUOTED = 8, // start of qualifier with quoted data (e.g. '/product="phosphate"') FL_QUALIFIER_QUOTE_OPENED = 16, // start of qualifier with quoted data (e.g. '/product="phosphate') FL_CONTINUED_QUOTE_CLOSED = 32, // something terminated by a quote ('"') FL_CONTINUED = 64, // other // meta types: FL_META_QUALIFIER = (FL_QUALIFIER|FL_QUALIFIER_NODATA|FL_QUALIFIER_QUOTED|FL_QUALIFIER_QUOTE_OPENED), FL_META_CONTINUED = (FL_CONTINUED_QUOTE_CLOSED|FL_CONTINUED), }; class FeatureLine { void interpret_as_continued_line(); public: string name; // feature or qualifier name (only valid for FL_START, FL_QUALIFIER...) string rest; // rest of line (behind '=' for FL_QUALIFIER..., not for FL_QUALIFIER_NODATA) string orgLine; FeatureLineType type; FeatureLine(const string& line); bool reinterpret_as_continued_line(); }; typedef SmartPtr FeaturePtr; typedef SmartPtr FeatureLinePtr; typedef vector FeatureLines; class Importer : public Noncopyable { protected: DBwriter& db_writer; FileBuffer& flatfile; MetaTagTranslator tagTranslator; FeatureLines pushedFeatureLines; // pushed back feature lines stringVector warnings; long expectedSeqLength; // length read from LOCUS or ID line ( = 0 -> no length info found) void expectLine(string& line) { if (!flatfile.getLine(line)) throw flatfile.lineError("Unexpected EOF"); } const MetaTag *findTag(const string& tag) { return tagTranslator.get(tag); } virtual bool readFeatureTableLine(string& line) = 0; FeatureLinePtr getFeatureTableLine(); void backFeatureTableLine(FeatureLinePtr& fline) { pushedFeatureLines.push_back(fline); } FeatureLinePtr getUnwrappedFeatureTableLine(); FeaturePtr parseFeature(); void parseFeatureTable(); virtual void import_section() = 0; void show_warnings(const string& import_of_what); public: Importer(FileBuffer& Flatfile, DBwriter& DB_writer, const MetaTag *meta_description); virtual ~Importer() {} void import(); void warning(const char *msg); // add a warning }; class GenebankImporter: public Importer { void import_section(); virtual bool readFeatureTableLine(string& line); void parseSequence(const string& tag, const string& headerline); public: GenebankImporter(FileBuffer& Flatfile, DBwriter& DB_writer); virtual ~GenebankImporter() {} }; class EmblImporter: public Importer { void import_section(); virtual bool readFeatureTableLine(string& line); void parseSequence(const string& headerline); public: EmblImporter(FileBuffer& Flatfile, DBwriter& DB_writer); virtual ~EmblImporter() {} }; #else #error Importer.h included twice #endif // IMPORTER_H ./arbsrc_9167/GENOM_IMPORT/Location.cxx0000644012664100000130000002065011440742777017412 0ustar arb_buildcoders// ================================================================ // // // // File : Location.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "Location.h" #include "tools.h" #include #include #include using namespace std; typedef SmartPtr LocationPtr; typedef vector LocationVector; DEFINE_ITERATORS(LocationVector); class SimpleLocation : public Location { long pos1; long pos2; char uncertain1; char uncertain2; public: SimpleLocation(long p1, long p2, char u1, char u2) : pos1(p1), pos2(p2), uncertain1(u1), uncertain2(u2) {} SimpleLocation(long p, char u) : pos1(p), pos2(p), uncertain1(u), uncertain2(u) { arb_assert(u == '='); // do not allow uncertainties with single position ctor } virtual int count() const { return 1; } virtual LocationJoinType getJoinType() const { return LJT_NOT_JOINED; } virtual bool isInRange(long p1, long p2) const { arb_assert(p1 <= p2); return p1 <= pos1 && pos2 <= p2; } virtual void save(GEN_position *pos, bool complementary) const { int p = pos->parts; pos->start_pos[p] = pos1; pos->stop_pos[p] = pos2; pos->complement[p] = char(complementary); pos->start_uncertain[p] = uncertain1; pos->stop_uncertain[p] = uncertain2; ++pos->parts; } }; class JoinedLocation : public Location { LocationVector locations; LocationJoinType joinType; public: JoinedLocation(LocationJoinType jtype) : joinType(jtype) {} void push_back(const LocationPtr&loc) { LocationJoinType loc_type = loc->getJoinType(); if (loc_type != LJT_NOT_JOINED && loc_type != joinType) { throw "order() and join() cannot be mixed"; } locations.push_back(loc); } virtual LocationJoinType getJoinType() const { return joinType; } virtual int count() const { int Count = 0; LocationVectorCIter e = locations.end(); for (LocationVectorCIter i = locations.begin(); i != e; ++i) { Count += (*i)->count(); } return Count; } virtual bool isInRange(long p1, long p2) const { LocationVectorCIter e = locations.end(); for (LocationVectorCIter i = locations.begin(); i != e; ++i) { if (!(*i)->isInRange(p1, p2)) { return false; } } return true; } virtual void save(GEN_position *pos, bool complementary) const { if (complementary) { LocationVectorCRIter e = locations.rend(); for (LocationVectorCRIter i = locations.rbegin(); i != e; ++i) { (*i)->save(pos, complementary); } } else { LocationVectorCIter e = locations.end(); for (LocationVectorCIter i = locations.begin(); i != e; ++i) { (*i)->save(pos, complementary); } } } }; class ComplementLocation : public Location { LocationPtr location; public: ComplementLocation(const LocationPtr& loc) : location(loc) {} virtual int count() const { return location->count(); } virtual bool isInRange(long p1, long p2) const { return location->isInRange(p1, p2); } virtual void save(GEN_position *pos, bool complementary) const { location->save(pos, !complementary); } virtual LocationJoinType getJoinType() const { return location->getJoinType(); } }; // -------------------------------------------------------------------------------- static size_t parsePosition(const string& source, char& uncertain) { // parses one position and returns the value // if position contains uncertainties, they are stored in 'uncertain' (as '<' or '>') const char *s = source.c_str(); size_t slen = source.length(); if (s[0] == '>' or s[0] == '<') { uncertain = s[0]; s++; slen--; } else { uncertain = '='; } char *end; size_t pos = strtoul(s, &end, 10); size_t converted = end-s; if (converted0) { size_t paren = source.find_first_of("()", pos); if (paren == string::npos) { throw GBS_global_string("Expected %zu closing parenthesis in '%s'", paren_count, source.c_str()); } if (source[paren] == ')') paren_count--; else paren_count++; pos = paren+1; } comma = source.find_first_of("(,", pos); } if (comma == string::npos) { // no comma on top level locvec.push_back(parseLocation(source.substr(startPos))); } else { arb_assert(source[comma] == ','); locvec.push_back(parseLocation(source.substr(startPos, comma-startPos))); parseLocationList(source, comma+1, locvec); // continue after comma } } LocationPtr parseLocation(const string& source) { char first = source[0]; if (first == 'c') { string infix; if (parseInfix(source, "complement(", ")", infix)) { return new ComplementLocation(parseLocation(infix)); } } else if (first == 'j' || first == 'o') { string infix; LocationJoinType joinType = LJT_UNDEF; if (parseInfix(source, "join(", ")", infix)) { joinType = LJT_JOIN; } else if (parseInfix(source, "order(", ")", infix)) { joinType = LJT_ORDER; } if (joinType != LJT_UNDEF) { LocationVector locvec; parseLocationList(infix, 0, locvec); JoinedLocation *join = new JoinedLocation(joinType); LocationVectorCIter e = locvec.end(); for (LocationVectorCIter i = locvec.begin(); i != e; ++i) { join->push_back(*i); } return join; } } else if (isdigit(first) || strchr("<>", first) != 0) { size_t dots = source.find(".."); if (dots != string::npos) { char uncertain1, uncertain2; size_t pos1 = parsePosition(source.substr(0, dots), uncertain1); size_t pos2 = parsePosition(source.substr(dots+2), uncertain2); return new SimpleLocation(pos1, pos2, uncertain1, uncertain2); } size_t inbetween = source.find("^"); if (inbetween != string::npos) { char uncertain1, uncertain2; size_t pos1 = parsePosition(source.substr(0, inbetween), uncertain1); size_t pos2 = parsePosition(source.substr(inbetween+1), uncertain2); if (uncertain1 == '=' && uncertain2 == '=' && pos2 == pos1+1) { return new SimpleLocation(pos1, pos2, '+', '-'); } throw string("Can only handle 'pos^pos+1'. Can't parse location '"+source+"'"); } else { // single base position char uncertain; size_t single_pos = parsePosition(source, uncertain); return new SimpleLocation(single_pos, uncertain); } } #if defined(DEVEL_RALF) arb_assert(0); #endif // DEVEL_RALF throw string("Unparsable location '"+source+"'"); } GEN_position *Location::create_GEN_position() const { GEN_position *pos = GEN_new_position(count(), GB_BOOL(getJoinType() == LJT_JOIN)); GEN_use_uncertainties(pos); #if defined(DEBUG) int org_parts = pos->parts; #endif // DEBUG pos->parts = 0; // misuse 'parts' as index for filling 'pos' save(pos, false); gi_assert(pos->parts == org_parts); return pos; } ./arbsrc_9167/GENOM_IMPORT/Location.h0000644012664100000130000000347011213220011017002 0ustar arb_buildcoders// ================================================================ // // // // File : Location.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef LOCATION_H #define LOCATION_H #ifndef SMARTPTR_H #include #endif #ifndef TYPES_H #include "types.h" #endif typedef vector intVector; typedef vector charVector; typedef vector boolVector; class GEN_position; enum LocationJoinType { LJT_UNDEF, // undefined LJT_NOT_JOINED, // location does not contain multiple parts LJT_JOIN, // sequence data may be joined LJT_ORDER, // nothing is implied about the reasonableness about joining }; struct Location : public Noncopyable { Location() {} virtual ~Location() {} virtual int count() const = 0; virtual bool isInRange(long pos1, long pos2) const = 0; virtual void save(GEN_position *into, bool complementary) const = 0; virtual LocationJoinType getJoinType() const = 0; GEN_position *create_GEN_position() const; }; typedef SmartPtr LocationPtr; LocationPtr parseLocation(const string& source); #else #error Location.h included twice #endif // LOCATION_H ./arbsrc_9167/GENOM_IMPORT/Makefile0000644012664100000130000001302511440742777016554 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend # -------------------------------------------------------------------------------- # objects for library CPP_OBJECTS = \ GenomeImport.o \ Importer.o \ DBwriter.o \ SequenceBuffer.o \ MetaInfo.o \ Feature.o \ Location.o \ tools.o \ # -------------------------------------------------------------------------------- $(MAIN): $(CPP_OBJECTS) @$(ARBHOME)/SOURCE_TOOLS/binuptodate.pl $(MAIN) $(CPP_OBJECTS) || ( \ echo "$(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS)"; \ $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) ; \ ) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(CPPINCLUDES) clean: -rm *.o -rm *.a -rm *.bak -rm *~ -rm *# -rm *\% #.IGNORE: # clean DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl DBwriter.o: DBwriter.h DBwriter.o: defs.h DBwriter.o: Feature.h DBwriter.o: GenomeImport.h DBwriter.o: Importer.h DBwriter.o: Location.h DBwriter.o: MetaInfo.h DBwriter.o: MetaTag.h DBwriter.o: SequenceBuffer.h DBwriter.o: types.h DBwriter.o: $(ARBHOME)/INCLUDE/ad_k_prot.h DBwriter.o: $(ARBHOME)/INCLUDE/ad_prot.h DBwriter.o: $(ARBHOME)/INCLUDE/ad_t_prot.h DBwriter.o: $(ARBHOME)/INCLUDE/adGene.h DBwriter.o: $(ARBHOME)/INCLUDE/arb_assert.h DBwriter.o: $(ARBHOME)/INCLUDE/arbdb.h DBwriter.o: $(ARBHOME)/INCLUDE/arbdb_base.h DBwriter.o: $(ARBHOME)/INCLUDE/arbdbt.h DBwriter.o: $(ARBHOME)/INCLUDE/arbtools.h DBwriter.o: $(ARBHOME)/INCLUDE/attributes.h DBwriter.o: $(ARBHOME)/INCLUDE/aw_device.hxx DBwriter.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx DBwriter.o: $(ARBHOME)/INCLUDE/aw_position.hxx DBwriter.o: $(ARBHOME)/INCLUDE/aw_question.hxx DBwriter.o: $(ARBHOME)/INCLUDE/AW_rename.hxx DBwriter.o: $(ARBHOME)/INCLUDE/aw_root.hxx DBwriter.o: $(ARBHOME)/INCLUDE/aw_window.hxx DBwriter.o: $(ARBHOME)/INCLUDE/awt_translate.hxx DBwriter.o: $(ARBHOME)/INCLUDE/FileBuffer.h DBwriter.o: $(ARBHOME)/INCLUDE/GEN.hxx DBwriter.o: $(ARBHOME)/INCLUDE/smartptr.h Feature.o: defs.h Feature.o: Feature.h Feature.o: Location.h Feature.o: types.h Feature.o: $(ARBHOME)/INCLUDE/ad_k_prot.h Feature.o: $(ARBHOME)/INCLUDE/arb_assert.h Feature.o: $(ARBHOME)/INCLUDE/arbdb_base.h Feature.o: $(ARBHOME)/INCLUDE/arbtools.h Feature.o: $(ARBHOME)/INCLUDE/attributes.h Feature.o: $(ARBHOME)/INCLUDE/smartptr.h GenomeImport.o: DBwriter.h GenomeImport.o: defs.h GenomeImport.o: Feature.h GenomeImport.o: GenomeImport.h GenomeImport.o: Importer.h GenomeImport.o: Location.h GenomeImport.o: MetaInfo.h GenomeImport.o: MetaTag.h GenomeImport.o: SequenceBuffer.h GenomeImport.o: tools.h GenomeImport.o: types.h GenomeImport.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GenomeImport.o: $(ARBHOME)/INCLUDE/ad_prot.h GenomeImport.o: $(ARBHOME)/INCLUDE/arb_assert.h GenomeImport.o: $(ARBHOME)/INCLUDE/arbdb.h GenomeImport.o: $(ARBHOME)/INCLUDE/arbdb_base.h GenomeImport.o: $(ARBHOME)/INCLUDE/arbtools.h GenomeImport.o: $(ARBHOME)/INCLUDE/attributes.h GenomeImport.o: $(ARBHOME)/INCLUDE/aw_question.hxx GenomeImport.o: $(ARBHOME)/INCLUDE/AW_rename.hxx GenomeImport.o: $(ARBHOME)/INCLUDE/aw_root.hxx GenomeImport.o: $(ARBHOME)/INCLUDE/FileBuffer.h GenomeImport.o: $(ARBHOME)/INCLUDE/smartptr.h Importer.o: DBwriter.h Importer.o: defs.h Importer.o: Feature.h Importer.o: GenomeImport.h Importer.o: Importer.h Importer.o: Location.h Importer.o: MetaInfo.h Importer.o: MetaTag.h Importer.o: SequenceBuffer.h Importer.o: tools.h Importer.o: types.h Importer.o: $(ARBHOME)/INCLUDE/ad_k_prot.h Importer.o: $(ARBHOME)/INCLUDE/ad_prot.h Importer.o: $(ARBHOME)/INCLUDE/arb_assert.h Importer.o: $(ARBHOME)/INCLUDE/arbdb.h Importer.o: $(ARBHOME)/INCLUDE/arbdb_base.h Importer.o: $(ARBHOME)/INCLUDE/arbtools.h Importer.o: $(ARBHOME)/INCLUDE/attributes.h Importer.o: $(ARBHOME)/INCLUDE/FileBuffer.h Importer.o: $(ARBHOME)/INCLUDE/smartptr.h Location.o: defs.h Location.o: Location.h Location.o: tools.h Location.o: types.h Location.o: $(ARBHOME)/INCLUDE/ad_k_prot.h Location.o: $(ARBHOME)/INCLUDE/ad_prot.h Location.o: $(ARBHOME)/INCLUDE/adGene.h Location.o: $(ARBHOME)/INCLUDE/arb_assert.h Location.o: $(ARBHOME)/INCLUDE/arbdb.h Location.o: $(ARBHOME)/INCLUDE/arbdb_base.h Location.o: $(ARBHOME)/INCLUDE/arbtools.h Location.o: $(ARBHOME)/INCLUDE/attributes.h Location.o: $(ARBHOME)/INCLUDE/smartptr.h MetaInfo.o: defs.h MetaInfo.o: MetaInfo.h MetaInfo.o: MetaTag.h MetaInfo.o: types.h MetaInfo.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MetaInfo.o: $(ARBHOME)/INCLUDE/arb_assert.h MetaInfo.o: $(ARBHOME)/INCLUDE/arbdb_base.h MetaInfo.o: $(ARBHOME)/INCLUDE/arbtools.h MetaInfo.o: $(ARBHOME)/INCLUDE/attributes.h MetaInfo.o: $(ARBHOME)/INCLUDE/RegExpr.hxx SequenceBuffer.o: defs.h SequenceBuffer.o: SequenceBuffer.h SequenceBuffer.o: types.h SequenceBuffer.o: $(ARBHOME)/INCLUDE/ad_k_prot.h SequenceBuffer.o: $(ARBHOME)/INCLUDE/arb_assert.h SequenceBuffer.o: $(ARBHOME)/INCLUDE/arbdb_base.h SequenceBuffer.o: $(ARBHOME)/INCLUDE/arbtools.h SequenceBuffer.o: $(ARBHOME)/INCLUDE/attributes.h SequenceBuffer.o: $(ARBHOME)/INCLUDE/smartptr.h tools.o: defs.h tools.o: tools.h tools.o: types.h tools.o: $(ARBHOME)/INCLUDE/ad_k_prot.h tools.o: $(ARBHOME)/INCLUDE/arb_assert.h tools.o: $(ARBHOME)/INCLUDE/arbdb_base.h tools.o: $(ARBHOME)/INCLUDE/arbtools.h tools.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/GENOM_IMPORT/MetaInfo.cxx0000644012664100000130000001531011440742777017341 0ustar arb_buildcoders// ================================================================ // // // // File : MetaInfo.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "MetaInfo.h" #include using namespace std; void Reference::add(const string& field, const string& content) { gi_assert(!field.empty()); gi_assert(!content.empty()); stringMapIter existing = entries.find(field); if (existing != entries.end()) { throw GBS_global_string("Duplicated reference entry for '%s'", field.c_str()); } entries[field] = content; } const string *Reference::get(const string& field) const { stringMapCIter existing = entries.find(field); return (existing != entries.end()) ? &existing->second : 0; } void Reference::getKeys(stringSet& keys) const { stringMapCIter e = entries.end(); for (stringMapCIter i = entries.begin(); i != e; ++i) { keys.insert(i->first); } } // -------------------------------------------------------------------------------- typedef vector RefVector; DEFINE_ITERATORS(RefVector); void References::start() { refs.push_back(Reference()); latest = &refs.back(); ref_count++; } void References::getKeys(stringSet& keys) const { keys.clear(); RefVectorCIter e = refs.end(); for (RefVectorCIter i = refs.begin(); i != e; ++i) { i->getKeys(keys); } } string References::tagged_content(const string& refkey) const { string content; if (ref_count == 1) { // only one reference -> dont tag RefVectorCIter i = refs.begin(); const string *ref_content = i->get(refkey); gi_assert(ref_content); content = *ref_content; } else { int count = 1; RefVectorCIter e = refs.end(); for (RefVectorCIter i = refs.begin(); i != e; ++i, ++count) { const string *ref_content = i->get(refkey); if (ref_content) { if (!content.empty()) content.append(1, ' '); content.append(GBS_global_string("[REF%i] ", count)); content.append(*ref_content); } } } return content; } #if defined(DEBUG) void References::dump() const { stringSet keys; getKeys(keys); stringSetIter e = keys.end(); for (stringSetIter i = keys.begin(); i != e; ++i) { string tagged = tagged_content(*i); printf("%s='%s'\n", i->c_str(), tagged.c_str()); } } #endif // DEBUG enum DBID_TYPE { DBID_STANDARD, DBID_ACCEPT, DBID_ILLEGAL, }; struct DBID { const char *id; DBID_TYPE type; const char *arb_field; }; // see http://www.ebi.ac.uk/embl/Documentation/User_manual/usrman.html#3_4_10_4 static const DBID dbid_definition[] = { // accepted DBIDs (EMBL 'RX'-tag) { "DOI", DBID_STANDARD, "doi_id" }, { "PUBMED", DBID_STANDARD, "pubmed_id" }, { "AGRICOLA", DBID_STANDARD, "agricola_id" }, { "MEDLINE", DBID_ACCEPT, "medline_id" }, // non-standard, but common { NULL, DBID_ILLEGAL, NULL }, // end marker }; void References::add_dbid(const string& content) { // add embl 'RX' entry // // * 'content' has \n inserted at original line breaks and // contains database references like 'MEDLINE; id.' or 'PUBMED; id.' etc. // * Multiple database references may be concatenated (each starts on it's own line) // * 'id' is possibly split up on several lines RegExpr reg_dbid("^([A-Z]+);\\s+|\n([A-Z]+);\\s+", false); size_t offset = 0; const RegMatch *dbid_start = reg_dbid.match(content); if (!dbid_start) { throw GBS_global_string("Expected database reference id (e.g. 'DOI; ' or 'PUBMED; ')"); } else { re_assert(reg_dbid.subexpr_count() == 2); while (dbid_start) { const RegMatch *sub = reg_dbid.subexpr_match(1); if (!sub) sub = reg_dbid.subexpr_match(2); re_assert(sub); string dbid = sub->extract(content); size_t id_start = dbid_start->posBehindMatch(); offset = id_start; dbid_start = reg_dbid.match(content, offset); // search for start of next db-id DBID_TYPE type = DBID_ILLEGAL; const char *arb_field = 0; for (int m = 0; ; m++) { const char *name = dbid_definition[m].id; if (!name) break; if (dbid == name) { type = dbid_definition[m].type; arb_field = dbid_definition[m].arb_field; break; } } if (type == DBID_ILLEGAL) throw GBS_global_string("Unknown DBID '%s'", dbid.c_str()); string id = content.substr(id_start, dbid_start ? dbid_start->pos()-id_start : string::npos); if (id.empty()) throw GBS_global_string("Empty database reference for '%s'", dbid.c_str()); if (id[id.length()-1] != '.') throw GBS_global_string("Expected terminal '.' in '%s'", id.c_str()); id.erase(id.length()-1); // remove terminal '.' add(arb_field, id); } } } // -------------------------------------------------------------------------------- void MetaInfo::add(const MetaTag *meta, const string& content, bool allow_multiple_entries) { stringMapIter existing = entries.find(meta->field); if (existing != entries.end()) { // existing entry if (!allow_multiple_entries) { throw GBS_global_string("Multiple occurrences of tag '%s'", meta->tag.c_str()); } existing->second += '\n'+content; // append content } else { // non-existing content entries[meta->field] = content; } } const string& MetaInfo::getAccessionNumber() const { stringMapCIter found = entries.find("acc"); if (found == entries.end()) { static string no_acc(""); return no_acc; } return found->second; } #if defined(DEBUG) void MetaInfo::dump() const { stringMapCIter e = entries.end(); printf("MetaInfo:\n"); for (stringMapCIter i = entries.begin(); i != e; ++i) { printf("%s='%s'\n", i->first.c_str(), i->second.c_str()); } } #endif // DEBUG ./arbsrc_9167/GENOM_IMPORT/MetaInfo.h0000644012664100000130000000437011440742777016772 0ustar arb_buildcoders// ================================================================ // // // // File : MetaInfo.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef METAINFO_H #define METAINFO_H #ifndef METATAG_H #include "MetaTag.h" #endif class Reference { // holds information of one reference section stringMap entries; // reference entries mapped to ARBDB field names public: Reference() {} void add(const string& field, const string& content); const string *get(const string& field) const; void getKeys(stringSet& keys) const; // get reference keys }; class References : public Noncopyable { // holds information of all reference sections vector refs; Reference *latest; int ref_count; public: References() : latest(0), ref_count(0) {} void start(); // start a new reference void add(const string& field, const string& content) { gi_assert(latest); latest->add(field, content); } void add_dbid(const string& content); // special handling for 'RX' field void getKeys(stringSet& keys) const; // get reference keys string tagged_content(const string& refkey) const; #if defined(DEBUG) void dump() const; #endif // DEBUG }; class MetaInfo : public Noncopyable { stringMap entries; // key = arb_field, value = content public: MetaInfo() {} void add(const MetaTag *meta, const string& content, bool allow_multiple_entries); #if defined(DEBUG) void dump() const; #endif // DEBUG const stringMap& getEntries() const { return entries; } const string& getAccessionNumber() const; }; #else #error MetaInfo.h included twice #endif // METAINFO_H ./arbsrc_9167/GENOM_IMPORT/MetaTag.h0000644012664100000130000000500611213220011016551 0ustar arb_buildcoders// ================================================================ // // // // File : MetaTag.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef METATAG_H #define METATAG_H #ifndef TYPES_H #include "types.h" #endif enum MetaTagType { MT_HEADER, // Header tag (ID or LOCUS) MT_BASIC, // Basic tag -> gets written to DB (into 'field') MT_REF_START, // Start of (new) reference MT_REF, // Reference data, 'field' describes type of reference MT_REF_DBID, // Database reference (PUBMED, MEDLINE, DOI, ...) MT_FEATURE_START, // Start of feature table MT_FEATURE, // Feature table MT_SEQUENCE_START, // Start of sequence MT_CONTIG, // contig entry MT_END, // End of file (or section, if multiple entries) MT_IGNORE, // is ignored }; struct MetaTag { string tag; // tag name (in flatfile) string field; // field name MetaTagType type; }; typedef map MetaTagMap; class MetaTagTranslator : public Noncopyable { MetaTagMap translate; public: MetaTagTranslator(const struct MetaTag *meta_description) { for (int idx = 0; !meta_description[idx].tag.empty(); ++idx) { const MetaTag& mt = meta_description[idx]; translate[mt.tag] = &mt; } } const MetaTag *get(const string& tag) const { MetaTagMap::const_iterator found = translate.find(tag); if (found != translate.end()) return found->second; return 0; } }; #else #error MetaTag.h included twice #endif // METATAG_H ./arbsrc_9167/GENOM_IMPORT/SequenceBuffer.cxx0000644012664100000130000001143711440742777020547 0ustar arb_buildcoders// ================================================================ // // // // File : SequenceBuffer.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "SequenceBuffer.h" using namespace std; void CharCounter::clear() { for (int i = 0; i<256; i++) count[i] = 0; all = 0; } void CharCounter::countChars(const string& line) { string::const_iterator e = line.end(); for (string::const_iterator i = line.begin(); i != e; ++i) { ++count[static_cast(*i)]; ++all; } } // -------------------------------------------------------------------------------- void BaseCounter::calcOverallCounter() { gi_assert(char_count.Null()); // may not be used for line counted BaseCounter gi_assert(count[BC_ALL] == 0); // already have a value for overall counter size_t all = 0; for (int i = 0; i use calculated value count[BC_ALL] = all; } } void BaseCounter::checkOverallCounter() const { catchUpWithLineCounter(); size_t all = 0; for (int i = 0; i0); // forgot to call calcOverallCounter ? if (count[BC_ALL] != all) { throw GBS_global_string("Overall bp (=%u) does not match sum (=%u) of single bases (Occurrence: '%s')", count[BC_ALL], all, source.c_str()); } } void BaseCounter::catchUpWithLineCounter() const { if (!char_count.Null()) { CharCounter& cc = const_cast(*char_count); size_t all = cc.getCount(); // all bases if (all>0) { // anything counted ? size_t normal = 0; // normal bases size_t *mucount = const_cast(count); static const unsigned char normalChars[] = "aAcCgGtTuU"; static Base normalBase[] = { BC_A, BC_A, BC_C, BC_C, BC_G, BC_G, BC_T, BC_T, BC_T, BC_T }; // count standard bases for (unsigned i = 0; normalChars[i]; ++i) { size_t bp = cc.getCount(normalChars[i]); mucount[normalBase[i]] += bp; normal += bp; } mucount[BC_ALL] += all; mucount[BC_OTHER] += all-normal; cc.clear(); // reset counter } } } void BaseCounter::startLineCounter() { gi_assert(char_count.Null()); char_count = new CharCounter; } void BaseCounter::expectEqual(const BaseCounter& other) const { // expect counters to be equal or throw error catchUpWithLineCounter(); other.catchUpWithLineCounter(); checkOverallCounter(); other.checkOverallCounter(); for (int i = 0; i"+other.source; for (; i %u", count[i], other.count[i]); } } throw error; } } } // -------------------------------------------------------------------------------- SequenceBuffer::~SequenceBuffer() { delete [] seq; } const char *SequenceBuffer::getSequence() const { gi_assert(!seq); // don't call twice! if (!seq) { size_t len = baseCounter.getCount(BC_ALL); seq = new char[len+1]; char *sp = seq; stringVectorCIter e = lines.end(); for (stringVectorCIter i = lines.begin(); i != e; ++i) { size_t ilen = i->length(); memcpy(sp, i->c_str(), ilen); sp += ilen; } #if defined(DEBUG) size_t stored = sp-seq; gi_assert(stored == len); #endif // DEBUG seq[len] = 0; } return seq; } ./arbsrc_9167/GENOM_IMPORT/SequenceBuffer.h0000644012664100000130000000551011440742777020167 0ustar arb_buildcoders// ================================================================ // // // // File : SequenceBuffer.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef SEQUENCEBUFFER_H #define SEQUENCEBUFFER_H #ifndef TYPES_H #include "types.h" #endif #ifndef SMARTPTR_H #include #endif class CharCounter { size_t count[256]; size_t all; public: CharCounter() { clear(); } size_t getCount(unsigned char idx) const { return count[idx]; } size_t getCount() const { return all; } void countChars(const string& line); void clear(); }; enum Base { BC_A, BC_C, BC_G, BC_T, BC_OTHER, BC_ALL, BC_COUNTERS }; class BaseCounter { string source; // where does information originate from size_t count[BC_COUNTERS]; // number of occurances of single bases SmartPtr char_count; // character counter (used by addLine) void catchUpWithLineCounter() const; public: BaseCounter(const string& Source) : source(Source) { for (int i = 0; icountChars(line); } void expectEqual(const BaseCounter& other) const; size_t getCount(Base base) const { catchUpWithLineCounter(); return count[base]; } }; class SequenceBuffer : public Noncopyable { stringVector lines; // stores input lines BaseCounter baseCounter; mutable char *seq; public: SequenceBuffer(size_t expectedSize) : baseCounter("sequence data"), seq(0) { lines.reserve(expectedSize/60+1); // flatfiles use 60 bases per sequence line baseCounter.startLineCounter(); } ~SequenceBuffer(); void addLine(const string& line) { lines.push_back(line); baseCounter.addLine(line); } const BaseCounter& getBaseCounter() const { return baseCounter; } BaseCounter& getBaseCounter() { return baseCounter; } const char *getSequence() const; }; #else #error SequenceBuffer.h included twice #endif // SEQUENCEBUFFER_H ./arbsrc_9167/GENOM_IMPORT/tools.cxx0000644012664100000130000000242311213220011016742 0ustar arb_buildcoders// ================================================================ // // // // File : tools.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "tools.h" using namespace std; bool parseInfix(const string &str, const string& prefix, const string& postfix, string& foundInfix) { bool parsed = false; if (beginsWith(str, prefix) && endsWith(str, postfix)) { size_t strlen = str.length(); size_t prelen = prefix.length(); size_t postlen = postfix.length(); if (strlen >= (prelen+postlen)) { // otherwise str is to short (prefix and postfix overlap) foundInfix = str.substr(prelen, strlen-(prelen+postlen)); parsed = true; } } return parsed; } ./arbsrc_9167/GENOM_IMPORT/tools.h0000644012664100000130000001046511440742777016432 0ustar arb_buildcoders// ================================================================ // // // // File : tools.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef TOOLS_H #define TOOLS_H #ifndef TYPES_H #include "types.h" #endif #ifndef _CPP_CCTYPE #include #endif #ifndef _CPP_ALGORITHM #include #endif inline bool beginsWith(const string& str, const string& start) { return str.find(start) == 0; } inline bool endsWith(const string& str, const string& postfix) { size_t slen = str.length(); size_t plen = postfix.length(); if (plen>slen) { return false; } return str.substr(slen-plen) == postfix; } inline void appendSpaced(string& str, const string& toAppend) { if (!toAppend.empty()) { if (!str.empty()) str.append(1, ' '); str.append(toAppend); } } bool parseInfix(const string &str, const string& prefix, const string& postfix, string& foundInfix); // -------------------------------------------------------------------------------- #define CURRENT_REST string(pos, end).c_str() struct StringParser { stringCIter pos, end; StringParser(const string& str) : pos(str.begin()), end(str.end()) {} bool atEnd() const { return pos == end; } unsigned char at() const { gi_assert(pos != end); return *pos; } stringCIter getPosition() const { return pos; } void setPosition(const stringCIter& position) { pos = position; } void advance(size_t offset) { std::advance(pos, offset); } string rest() const { return string(pos, end); } stringCIter find(char c) { while (pos != end && *pos != c) { ++pos; } return pos; } size_t eatSpaces() { int spaces = 0; while (pos != end && *pos == ' ') { ++pos; ++spaces; } return spaces; } size_t expectSpaces(size_t count = 1, bool allowMore = true) { size_t spaces = eatSpaces(); bool validNumber = allowMore ? spaces >= count : spaces == count; if (!validNumber) { throw GBS_global_string("Expected %zu%s spaces, found %zu (before '%s')", count, allowMore ? " or more" : "", spaces, CURRENT_REST); } return spaces; } size_t lookingAt(const char *content) { // returns 0 if different content is seen (or if content is "") // otherwise it returns the string length of content size_t p; stringCIter look = pos; for (p = 0; content[p]; ++p, ++look) { if (content[p] != *look) { return 0; } } return p; } void expectContent(const char *content) { size_t len = lookingAt(content); if (!len) throw GBS_global_string("Expected to see '%s' (found='%s')", content, CURRENT_REST); std::advance(pos, len); // eat the found content } string extractWord(const char *delimiter = " ") { if (atEnd() || strchr(delimiter, *pos) != 0) { throw GBS_global_string("Expected non-delimiter at '%s'", CURRENT_REST); } stringCIter start = pos++; while (!atEnd() && strchr(delimiter, *pos) == 0) ++pos; return string(start, pos); } long eatNumber(bool &eaten) { long lnum = 0; char c; eaten = false; for (; isdigit(c = *pos); ++pos) { lnum = lnum*10+(c-'0'); eaten = true; } return lnum; } long extractNumber() { bool seen_digits; long lnum = eatNumber(seen_digits); if (!seen_digits) throw GBS_global_string("Expected number, found '%s'", CURRENT_REST); return lnum; } }; #else #error tools.h included twice #endif // TOOLS_H ./arbsrc_9167/GENOM_IMPORT/types.h0000644012664100000130000000274011213220011016375 0ustar arb_buildcoders// ================================================================ // // // // File : types.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in November 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #ifndef TYPES_H #define TYPES_H #ifndef DEFS_H #include "defs.h" #endif #ifndef _CPP_MAP #include #endif #ifndef _CPP_SET #include #endif #ifndef _CPP_VECTOR #include #endif using std::vector; using std::map; using std::set; typedef set stringSet; typedef map stringMap; typedef vector stringVector; #define DEFINE_ITERATORS(type) \ typedef type::iterator type##Iter; \ typedef type::const_iterator type##CIter; \ typedef type::reverse_iterator type##RIter; \ typedef type::const_reverse_iterator type##CRIter DEFINE_ITERATORS(string); DEFINE_ITERATORS(stringSet); DEFINE_ITERATORS(stringMap); DEFINE_ITERATORS(stringVector); #else #error types.h included twice #endif // TYPES_H ./arbsrc_9167/GENOM/Makefile0000644012664100000130000002160211440743000015436 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .c .depend CPP_OBJECTS = \ GEN_interface.o \ GEN_map.o \ GEN_graphic.o \ GEN_gene.o \ GEN_nds.o \ GEN_color_groups.o \ GEN_translations.o \ \ EXP_interface.o \ EXP_main.o \ $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a #.IGNORE: # clean DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl EXP_interface.o: ../NTREE/ad_spec.hxx EXP_interface.o: ../NTREE/nt_internal.h EXP_interface.o: EXP.hxx EXP_interface.o: EXP_interface.hxx EXP_interface.o: EXP_local.hxx EXP_interface.o: GEN.hxx EXP_interface.o: GEN_interface.hxx EXP_interface.o: GEN_local.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/ad_k_prot.h EXP_interface.o: $(ARBHOME)/INCLUDE/ad_prot.h EXP_interface.o: $(ARBHOME)/INCLUDE/ad_t_prot.h EXP_interface.o: $(ARBHOME)/INCLUDE/adGene.h EXP_interface.o: $(ARBHOME)/INCLUDE/arb_assert.h EXP_interface.o: $(ARBHOME)/INCLUDE/arbdb.h EXP_interface.o: $(ARBHOME)/INCLUDE/arbdb_base.h EXP_interface.o: $(ARBHOME)/INCLUDE/arbdbt.h EXP_interface.o: $(ARBHOME)/INCLUDE/attributes.h EXP_interface.o: $(ARBHOME)/INCLUDE/aw_awars.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/aw_device.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/aw_position.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/aw_root.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/aw_window.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/awt.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/awt_item_sel_list.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx EXP_interface.o: $(ARBHOME)/INCLUDE/db_scanner.hxx EXP_main.o: ../NTREE/nt_cb.hxx EXP_main.o: EXP.hxx EXP_main.o: EXP_interface.hxx EXP_main.o: EXP_local.hxx EXP_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h EXP_main.o: $(ARBHOME)/INCLUDE/ad_prot.h EXP_main.o: $(ARBHOME)/INCLUDE/ad_t_prot.h EXP_main.o: $(ARBHOME)/INCLUDE/arb_assert.h EXP_main.o: $(ARBHOME)/INCLUDE/arbdb.h EXP_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h EXP_main.o: $(ARBHOME)/INCLUDE/arbdbt.h EXP_main.o: $(ARBHOME)/INCLUDE/attributes.h EXP_main.o: $(ARBHOME)/INCLUDE/aw_awars.hxx EXP_main.o: $(ARBHOME)/INCLUDE/aw_device.hxx EXP_main.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx EXP_main.o: $(ARBHOME)/INCLUDE/aw_position.hxx EXP_main.o: $(ARBHOME)/INCLUDE/aw_root.hxx EXP_main.o: $(ARBHOME)/INCLUDE/aw_window.hxx EXP_main.o: $(ARBHOME)/INCLUDE/awt.hxx EXP_main.o: $(ARBHOME)/INCLUDE/awt_input_mask.hxx EXP_main.o: $(ARBHOME)/INCLUDE/ntree.hxx GEN_color_groups.o: GEN_color_groups.hxx GEN_gene.o: GEN.hxx GEN_gene.o: GEN_gene.hxx GEN_gene.o: GEN_local.hxx GEN_gene.o: GEN_nds.hxx GEN_gene.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GEN_gene.o: $(ARBHOME)/INCLUDE/ad_prot.h GEN_gene.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GEN_gene.o: $(ARBHOME)/INCLUDE/adGene.h GEN_gene.o: $(ARBHOME)/INCLUDE/arb_assert.h GEN_gene.o: $(ARBHOME)/INCLUDE/arbdb.h GEN_gene.o: $(ARBHOME)/INCLUDE/arbdb_base.h GEN_gene.o: $(ARBHOME)/INCLUDE/arbdbt.h GEN_gene.o: $(ARBHOME)/INCLUDE/attributes.h GEN_gene.o: $(ARBHOME)/INCLUDE/aw_device.hxx GEN_gene.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GEN_gene.o: $(ARBHOME)/INCLUDE/aw_position.hxx GEN_gene.o: $(ARBHOME)/INCLUDE/aw_root.hxx GEN_gene.o: $(ARBHOME)/INCLUDE/aw_window.hxx GEN_graphic.o: GEN.hxx GEN_graphic.o: GEN_gene.hxx GEN_graphic.o: GEN_graphic.hxx GEN_graphic.o: GEN_local.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GEN_graphic.o: $(ARBHOME)/INCLUDE/ad_prot.h GEN_graphic.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GEN_graphic.o: $(ARBHOME)/INCLUDE/adGene.h GEN_graphic.o: $(ARBHOME)/INCLUDE/arb_assert.h GEN_graphic.o: $(ARBHOME)/INCLUDE/arbdb.h GEN_graphic.o: $(ARBHOME)/INCLUDE/arbdb_base.h GEN_graphic.o: $(ARBHOME)/INCLUDE/arbdbt.h GEN_graphic.o: $(ARBHOME)/INCLUDE/attributes.h GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_awars.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_device.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_position.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_preset.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_root.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/aw_window.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/awt.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/awt_attributes.hxx GEN_graphic.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx GEN_interface.o: ../NTREE/ad_spec.hxx GEN_interface.o: ../NTREE/nt_internal.h GEN_interface.o: GEN.hxx GEN_interface.o: GEN_local.hxx GEN_interface.o: GEN_nds.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GEN_interface.o: $(ARBHOME)/INCLUDE/ad_prot.h GEN_interface.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GEN_interface.o: $(ARBHOME)/INCLUDE/adGene.h GEN_interface.o: $(ARBHOME)/INCLUDE/arb_assert.h GEN_interface.o: $(ARBHOME)/INCLUDE/arbdb.h GEN_interface.o: $(ARBHOME)/INCLUDE/arbdb_base.h GEN_interface.o: $(ARBHOME)/INCLUDE/arbdbt.h GEN_interface.o: $(ARBHOME)/INCLUDE/attributes.h GEN_interface.o: $(ARBHOME)/INCLUDE/aw_awars.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/aw_device.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/aw_position.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/aw_root.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/aw_window.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/awt.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/awt_item_sel_list.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/db_scanner.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/ntree.hxx GEN_interface.o: $(ARBHOME)/INCLUDE/probe_design.hxx GEN_map.o: ../NTREE/ad_spec.hxx GEN_map.o: EXP.hxx GEN_map.o: EXP_interface.hxx GEN_map.o: EXP_local.hxx GEN_map.o: GEN.hxx GEN_map.o: GEN_gene.hxx GEN_map.o: GEN_graphic.hxx GEN_map.o: GEN_interface.hxx GEN_map.o: GEN_local.hxx GEN_map.o: GEN_nds.hxx GEN_map.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GEN_map.o: $(ARBHOME)/INCLUDE/ad_prot.h GEN_map.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GEN_map.o: $(ARBHOME)/INCLUDE/adGene.h GEN_map.o: $(ARBHOME)/INCLUDE/arb_assert.h GEN_map.o: $(ARBHOME)/INCLUDE/arbdb.h GEN_map.o: $(ARBHOME)/INCLUDE/arbdb_base.h GEN_map.o: $(ARBHOME)/INCLUDE/arbdbt.h GEN_map.o: $(ARBHOME)/INCLUDE/arbtools.h GEN_map.o: $(ARBHOME)/INCLUDE/attributes.h GEN_map.o: $(ARBHOME)/INCLUDE/aw_awars.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_device.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_position.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_preset.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_question.hxx GEN_map.o: $(ARBHOME)/INCLUDE/AW_rename.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_root.hxx GEN_map.o: $(ARBHOME)/INCLUDE/aw_window.hxx GEN_map.o: $(ARBHOME)/INCLUDE/awt.hxx GEN_map.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx GEN_map.o: $(ARBHOME)/INCLUDE/awt_input_mask.hxx GEN_nds.o: GEN_interface.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GEN_nds.o: $(ARBHOME)/INCLUDE/ad_prot.h GEN_nds.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GEN_nds.o: $(ARBHOME)/INCLUDE/arb_assert.h GEN_nds.o: $(ARBHOME)/INCLUDE/arbdb.h GEN_nds.o: $(ARBHOME)/INCLUDE/arbdb_base.h GEN_nds.o: $(ARBHOME)/INCLUDE/arbdbt.h GEN_nds.o: $(ARBHOME)/INCLUDE/attributes.h GEN_nds.o: $(ARBHOME)/INCLUDE/aw_device.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/aw_position.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/aw_root.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/aw_window.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/awt.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/awt_item_sel_list.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/awt_nds.hxx GEN_nds.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx GEN_translations.o: GEN.hxx GEN_translations.o: GEN_local.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/ad_k_prot.h GEN_translations.o: $(ARBHOME)/INCLUDE/ad_prot.h GEN_translations.o: $(ARBHOME)/INCLUDE/ad_t_prot.h GEN_translations.o: $(ARBHOME)/INCLUDE/adGene.h GEN_translations.o: $(ARBHOME)/INCLUDE/arb_assert.h GEN_translations.o: $(ARBHOME)/INCLUDE/arbdb.h GEN_translations.o: $(ARBHOME)/INCLUDE/arbdb_base.h GEN_translations.o: $(ARBHOME)/INCLUDE/arbdbt.h GEN_translations.o: $(ARBHOME)/INCLUDE/arbtools.h GEN_translations.o: $(ARBHOME)/INCLUDE/attributes.h GEN_translations.o: $(ARBHOME)/INCLUDE/aw_device.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/aw_position.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/aw_question.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/aw_root.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/aw_window.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/awt.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/awt_codon_table.hxx GEN_translations.o: $(ARBHOME)/INCLUDE/awt_translate.hxx ./arbsrc_9167/GL/glAW/AW_window_ogl.cxx0000644012664100000130000004207211440743001017555 0ustar arb_buildcoders// ============================================================= // // // // File : AW_window_ogl.cxx // // Purpose : open gl window // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #include "aw_window_ogl.hxx" // Extended by Daniel Koitzsch & Christian Becker 19-05-04 #ifndef ARB_OPENGL #error nono #endif // ARB_OPENGL /** OpenGL header files */ // #include // #include /** Provides a special motif widget class */ #define GLX_GLXEXT_PROTOTYPES // #include // #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include // #include "GLwDrawA.h" #include "GLwMDrawA.h" /** Provides a special motif widget class */ /* defined here by Yadhu inorder to make it more General */ bool AW_alpha_Size_Supported = false; AW_window_menu_modes_opengl::AW_window_menu_modes_opengl(void) { } AW_window_menu_modes_opengl::~AW_window_menu_modes_opengl(void) { } void AW_window_menu_modes_opengl::init(AW_root *root_in, const char *wid, const char *windowname, int width, int height) { Widget main_window; Widget help_popup; Widget help_label; Widget separator; Widget form1; Widget form2; //Widget frame; const char *help_button = "HELP"; const char *help_mnemonic = "H"; #if defined(DUMP_MENU_LIST) initMenuListing(windowname); #endif // DUMP_MENU_LIST root = root_in; // for makro window_name = strdup(windowname); window_defaults_name = GBS_string_2_key(wid); int posx = 50; int posy = 50; p_w->shell= aw_create_shell(this, true, true, width, height, posx, posy); main_window = XtVaCreateManagedWidget("mainWindow1", xmMainWindowWidgetClass, p_w->shell, NULL); p_w->menu_bar[0] = XtVaCreateManagedWidget("menu1", xmRowColumnWidgetClass, main_window, XmNrowColumnType, XmMENU_BAR, NULL); // create shell for help-cascade help_popup = XtVaCreatePopupShell("menu_shell", xmMenuShellWidgetClass, p_w->menu_bar[0], XmNwidth, 1, XmNheight, 1, XmNallowShellResize, true, XmNoverrideRedirect, true, NULL); //create row column in Pull-Down shell p_w->help_pull_down = XtVaCreateWidget("menu_row_column", xmRowColumnWidgetClass, help_popup, XmNrowColumnType, XmMENU_PULLDOWN, NULL); // create HELP-label in menu bar help_label = XtVaCreateManagedWidget("menu1_top_b1", xmCascadeButtonWidgetClass, p_w->menu_bar[0], RES_CONVERT( XmNlabelString, help_button ), RES_CONVERT( XmNmnemonic, help_mnemonic ), XmNsubMenuId, p_w->help_pull_down, NULL ); XtVaSetValues(p_w->menu_bar[0], XmNmenuHelpWidget, help_label, NULL); //insert help_label to button_list root->make_sensitive(help_label, AWM_ALL); form1 = XtVaCreateManagedWidget( "form1", xmFormWidgetClass, main_window, // XmNwidth, width, // XmNheight, height, XmNresizePolicy, XmRESIZE_NONE, // XmNx, 0, // XmNy, 0, NULL); p_w->mode_area = XtVaCreateManagedWidget( "mode area", xmDrawingAreaWidgetClass, form1, XmNresizePolicy, XmRESIZE_NONE, XmNwidth, 38, XmNheight, height, XmNx, 0, XmNy, 0, XmNleftOffset, 0, XmNtopOffset, 0, XmNbottomAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_POSITION, XmNtopAttachment, XmATTACH_POSITION, XmNmarginHeight, 2, XmNmarginWidth, 1, NULL); separator = XtVaCreateManagedWidget( "separator", xmSeparatorWidgetClass, form1, XmNx, 37, XmNshadowThickness, 4, XmNorientation, XmVERTICAL, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_NONE, XmNleftWidget, NULL, XmNrightAttachment, XmATTACH_NONE, XmNleftOffset, 70, XmNleftPosition, 0, NULL); form2 = XtVaCreateManagedWidget( "form2", xmFormWidgetClass, form1, XmNwidth, width, XmNheight, height, XmNtopOffset, 0, XmNbottomOffset, 0, XmNleftOffset, 0, XmNrightOffset, 0, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_WIDGET, XmNleftWidget, separator, XmNtopAttachment, XmATTACH_POSITION, XmNresizePolicy, XmRESIZE_NONE, XmNx, 0, XmNy, 0, NULL); p_w->areas[AW_INFO_AREA] = new AW_area_management(root, form2, XtVaCreateManagedWidget( "info_area", xmDrawingAreaWidgetClass, form2, XmNheight, 0, XmNbottomAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, XmNmarginHeight, 2, XmNmarginWidth, 2, NULL)); p_w->areas[AW_BOTTOM_AREA] = new AW_area_management(root, form2, XtVaCreateManagedWidget( "bottom_area", xmDrawingAreaWidgetClass, form2, XmNheight, 0, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_NONE, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, NULL)); /*p_w->scroll_bar_horizontal = XtVaCreateWidget( "scroll_bar_horizontal", xmScrollBarWidgetClass, form2, //XmNincrement, 10, NULL ); p_w->scroll_bar_vertical = XtVaCreateWidget( "scroll_bar_vertical", xmScrollBarWidgetClass, form2, //XmNincrement, 10, NULL );*/ /// If I define the scroll bars as unmanaged widgets, they won't appear. //p_w->scroll_bar_horizontal = XtVaCreateManagedWidget( "scroll_bar_horizontal", p_w->scroll_bar_horizontal = XtVaCreateWidget( "scroll_bar_horizontal", xmScrollBarWidgetClass, form2, XmNheight, 15, XmNminimum, 0, XmNmaximum, AW_SCROLL_MAX, XmNincrement, 10, //XmNpageIncrement, 1, //XmNinitialDelay, 1, XmNsliderSize, AW_SCROLL_MAX, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_FORM, XmNbottomOffset, 0, XmNleftAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_NONE, XmNorientation, XmHORIZONTAL, XmNrightOffset, 18, NULL ); //p_w->scroll_bar_vertical = XtVaCreateManagedWidget( "scroll_bar_vertical", p_w->scroll_bar_vertical = XtVaCreateWidget( "scroll_bar_vertical", xmScrollBarWidgetClass, form2, XmNwidth, 15, XmNminimum, 0, XmNmaximum, AW_SCROLL_MAX, XmNincrement, 10, //XmNpageIncrement, 1, //XmNinitialDelay, 1, XmNsliderSize, AW_SCROLL_MAX, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_WIDGET, XmNbottomWidget, p_w->scroll_bar_horizontal, XmNbottomOffset, 3, XmNleftOffset, 3, XmNrightOffset, 3, XmNleftAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_WIDGET, XmNtopWidget, INFO_WIDGET, NULL ); //XmScrollBarSetValues(); p_w->frame = XtVaCreateManagedWidget( "draw_area", xmFrameWidgetClass, // xmDrawingAreaWidgetClass, form2, XmNshadowType, XmSHADOW_IN, XmNshadowThickness, 2, XmNleftOffset, 3, XmNtopOffset, 3, XmNbottomOffset, 3, XmNrightOffset, 3, //XmNbottomAttachment, XmATTACH_WIDGET, // XmNbottomAttachment, XmATTACH_FORM, //XmNbottomWidget, p_w->scroll_bar_horizontal, //XmNtopAttachment, XmATTACH_FORM, // XmNtopAttachment, XmATTACH_WIDGET, // XmNtopWidget, p_w->areas[AW_INFO_AREA]->area, XmNtopOffset, 0, // XmNleftAttachment, XmATTACH_FORM, // XmNrightAttachment, XmATTACH_FORM, //XmNrightAttachment, XmATTACH_WIDGET, //XmNrightWidget, p_w->scroll_bar_vertical, NULL); Arg args[20]; int n; Widget glw; n = 0; XtSetArg(args[n], (char *) GLwNrgba, True); n++; XtSetArg(args[n], (char *) GLwNallocateBackground, True); n++; XtSetArg(args[n], (char *) GLwNallocateOtherColors,True); n++; XtSetArg(args[n], (char *) GLwNdoublebuffer, True); n++; XtSetArg(args[n], (char *) GLwNdepthSize, True); n++; XtSetArg(args[n], (char *) GLwNredSize, 4); n++; XtSetArg(args[n], (char *) GLwNgreenSize, 4); n++; XtSetArg(args[n], (char *) GLwNblueSize, 4); n++; static int alpha_Attributes[] = {GLX_RGBA, GLX_DEPTH_SIZE, 12, GLX_RED_SIZE, 4, GLX_GREEN_SIZE, 4, GLX_BLUE_SIZE, 4, GLX_ALPHA_SIZE, 4, None}; Widget tmp = XtCreateWidget("glw", glwMDrawingAreaWidgetClass, form2, args, n); XVisualInfo *vi; Display *dpy; dpy = XtDisplay(tmp); vi = glXChooseVisual(dpy, DefaultScreen( dpy ), alpha_Attributes); if (vi) { XtSetArg(args[n], (char *) GLwNalphaSize, 4); n++; AW_alpha_Size_Supported = true; printf("Alpha channel supported\n"); } else { AW_alpha_Size_Supported = false; printf("Alpha channel NOT supported\n"); } XtSetArg(args[n], XmNmarginHeight, 0); n++; XtSetArg(args[n], XmNbottomAttachment, XmATTACH_FORM); n++; XtSetArg(args[n], XmNtopAttachment, XmATTACH_WIDGET); n++; XtSetArg(args[n], XmNtopWidget, p_w->areas[AW_INFO_AREA]->area); n++; XtSetArg(args[n], XmNleftAttachment, XmATTACH_FORM); n++; XtSetArg(args[n], XmNrightAttachment, XmATTACH_FORM); n++; glw = XtCreateManagedWidget("glw", glwMDrawingAreaWidgetClass, form2, args, n); p_w->areas[AW_MIDDLE_AREA] = new AW_area_management(root,p_w->frame,glw); /*p_w->areas[AW_MIDDLE_AREA] = new AW_area_management(root,p_w->frame, XtVaCreateManagedWidget( "draw area", //xmDrawingAreaWidgetClass, glwMDrawingAreaWidgetClass, form2, //p_w->frame, XmNmarginHeight, 0, //XtNresize, TRUE, XmNmarginWidth, 0, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_WIDGET, XmNtopWidget, p_w->areas[AW_INFO_AREA]->area, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, NULL));*/ /*XtVaSetValues( p_w->areas[AW_MIDDLE_AREA]->area, XmNx, 0, XmNy, 0, XmNwidth, 600, XmNheight, 700, NULL );*/ XmMainWindowSetAreas( main_window, p_w->menu_bar[0], (Widget) NULL, (Widget) NULL, (Widget) NULL, form1 ); aw_realize_widget(this); create_devices(); aw_create_help_entry(this); create_window_variables(); } ./arbsrc_9167/GL/glAW/aw_window_ogl.hxx0000644012664100000130000000300211440743001017650 0ustar arb_buildcoders// ============================================================= // // // // File : aw_window_ogl.hxx // // Purpose : open gl window // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #ifndef AW_WINDOW_OGL_HXX #define AW_WINDOW_OGL_HXX #ifndef AW_WINDOW_HXX #include #endif //-------------------------------------------------------------------------------- // For Applications Using OpenGL Windows // Variable "AW_alpha_Size_Supported" says whether the hardware (Graphics Card) // supports alpha channel or not. Alpha channel is used for shading/ multi textures // in OpenGL applications. extern bool AW_alpha_Size_Supported; /// Extended by Daniel Koitzsch & Christian Becker 19-05-04 class AW_window_menu_modes_opengl : public AW_window_menu_modes { private: void *AW_window_menu_modes_private; // Do not use !!! public: AW_window_menu_modes_opengl(void); ~AW_window_menu_modes_opengl(void); virtual void init(AW_root *root, const char *wid, const char *windowname, int width, int height); }; #else #error aw_window_ogl.hxx included twice #endif // AW_WINDOW_OGL_HXX ./arbsrc_9167/GL/glAW/GLwDrawA.c0000644012664100000130000006150511440743001016050 0ustar arb_buildcoders/* * (c) Copyright 1993, Silicon Graphics, Inc. * ALL RIGHTS RESERVED * Permission to use, copy, modify, and distribute this software for * any purpose and without fee is hereby granted, provided that the above * copyright notice appear in all copies and that both the copyright notice * and this permission notice appear in supporting documentation, and that * the name of Silicon Graphics, Inc. not be used in advertising * or publicity pertaining to distribution of the software without specific, * written prior permission. * * THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" * AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, * INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR * FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON * GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, * SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY * KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, * LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF * THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN * ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON * ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE * POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. * * * US Government Users Restricted Rights * Use, duplication, or disclosure by the Government is subject to * restrictions set forth in FAR 52.227.19(c)(2) or subparagraph * (c)(1)(ii) of the Rights in Technical Data and Computer Software * clause at DFARS 252.227-7013 and/or in similar or successor * clauses in the FAR or the DOD or NASA FAR Supplement. * Unpublished-- rights reserved under the copyright laws of the * United States. Contractor/manufacturer is Silicon Graphics, * Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. * * OpenGL(TM) is a trademark of Silicon Graphics, Inc. */ /* This file has been slightly modified from the original for use with Mesa * Jeroen van der Zijp (jvz@cyberia.cfdrc.com) */ /* This file has been modified for use with ARB */ #ifndef __GLX_MOTIF #error ARB only needs the Motif flavour of this file #endif #define USE(x) (x)=(x) #include #include /* #include */ /* #include */ #ifdef __GLX_MOTIF #include #include "GLwMDrawAP.h" #else #include "GLwDrawAP.h" #endif #include #include #ifdef __GLX_MOTIF #define GLwDrawingAreaWidget GLwMDrawingAreaWidget #define GLwDrawingAreaClassRec GLwMDrawingAreaClassRec #define glwDrawingAreaClassRec glwMDrawingAreaClassRec #define glwDrawingAreaWidgetClass glwMDrawingAreaWidgetClass #define GLwDrawingAreaRec GLwMDrawingAreaRec #endif #define ATTRIBLIST_SIZE 32 #define offset(field) XtOffset(GLwDrawingAreaWidget,glwDrawingArea.field) /* forward definitions */ static void createColormap(GLwDrawingAreaWidget w,int offset,XrmValue *value); static void Initialize(GLwDrawingAreaWidget req,GLwDrawingAreaWidget neww,ArgList args,Cardinal *num_args); static void Realize(Widget w,Mask *valueMask,XSetWindowAttributes *attributes); static void Redraw(GLwDrawingAreaWidget w,XEvent *event,Region region); static void Resize(GLwDrawingAreaWidget glw); static void Destroy(GLwDrawingAreaWidget glw); static void glwInput(GLwDrawingAreaWidget glw,XEvent *event,String *params,Cardinal *numParams); static char defaultTranslations[] = #ifdef __GLX_MOTIF "osfHelp:PrimitiveHelp() \n" #endif ": glwInput() \n\ : glwInput() \n\ : glwInput() \n\ : glwInput() \n\ : glwInput() "; static XtActionsRec actions[] = { {(String)"glwInput",(XtActionProc)glwInput}, /* key or mouse input */ }; /* * There is a bit of unusual handling of the resources here. * Because Xt insists on allocating the colormap resource when it is * processing the core resources (even if we redeclare the colormap * resource here, we need to do a little trick. When Xt first allocates * the colormap, we allow it to allocate the default one, since we have * not yet determined the appropriate visual (which is determined from * resources parsed after the colormap). We also let it allocate colors * in that default colormap. * * In the initialize proc we calculate the actual visual. Then, we * reobtain the colormap resource using XtGetApplicationResources in * the initialize proc. If requested, we also reallocate colors in * that colormap using the same method. */ static XtResource resources[] = { /* The GLX attributes. Add any new attributes here */ {(String)GLwNbufferSize, (String)GLwCBufferSize, XtRInt, sizeof(int) , offset(bufferSize) , XtRImmediate, (XtPointer)0}, {(String)GLwNlevel, (String)GLwCLevel, XtRInt, sizeof(int) , offset(level) , XtRImmediate, (XtPointer)0}, {(String)GLwNrgba, (String)GLwCRgba, XtRBoolean, sizeof(Boolean), offset(rgba) , XtRImmediate, (XtPointer)FALSE}, {(String)GLwNdoublebuffer, (String)GLwCDoublebuffer, XtRBoolean, sizeof(Boolean), offset(doublebuffer) , XtRImmediate, (XtPointer)FALSE}, {(String)GLwNstereo, (String)GLwCStereo, XtRBoolean, sizeof(Boolean), offset(stereo) , XtRImmediate, (XtPointer)FALSE}, {(String)GLwNauxBuffers, (String)GLwCAuxBuffers, XtRInt, sizeof(int) , offset(auxBuffers) , XtRImmediate, (XtPointer)0}, {(String)GLwNredSize, (String)GLwCColorSize, XtRInt, sizeof(int) , offset(redSize) , XtRImmediate, (XtPointer)1}, {(String)GLwNgreenSize, (String)GLwCColorSize, XtRInt, sizeof(int) , offset(greenSize) , XtRImmediate, (XtPointer)1}, {(String)GLwNblueSize, (String)GLwCColorSize, XtRInt, sizeof(int) , offset(blueSize) , XtRImmediate, (XtPointer)1}, {(String)GLwNalphaSize, (String)GLwCAlphaSize, XtRInt, sizeof(int) , offset(alphaSize) , XtRImmediate, (XtPointer)0}, {(String)GLwNdepthSize, (String)GLwCDepthSize, XtRInt, sizeof(int) , offset(depthSize) , XtRImmediate, (XtPointer)0}, {(String)GLwNstencilSize, (String)GLwCStencilSize, XtRInt, sizeof(int) , offset(stencilSize) , XtRImmediate, (XtPointer)0}, {(String)GLwNaccumRedSize, (String)GLwCAccumColorSize, XtRInt, sizeof(int) , offset(accumRedSize) , XtRImmediate, (XtPointer)0}, {(String)GLwNaccumGreenSize, (String)GLwCAccumColorSize, XtRInt, sizeof(int) , offset(accumGreenSize), XtRImmediate, (XtPointer)0}, {(String)GLwNaccumBlueSize, (String)GLwCAccumColorSize, XtRInt, sizeof(int) , offset(accumBlueSize) , XtRImmediate, (XtPointer)0}, {(String)GLwNaccumAlphaSize, (String)GLwCAccumAlphaSize, XtRInt, sizeof(int) , offset(accumAlphaSize), XtRImmediate, (XtPointer)0}, /* the attribute list */ {(String)GLwNattribList, (String)GLwCAttribList, XtRPointer, sizeof(int *), offset(attribList), XtRImmediate, (XtPointer) NULL}, /* the visual info */ {(String)GLwNvisualInfo, (String)GLwCVisualInfo, (String)GLwRVisualInfo, sizeof (XVisualInfo *), offset(visualInfo), XtRImmediate, (XtPointer) NULL}, /* miscellaneous resources */ {(String)GLwNinstallColormap, (String)GLwCInstallColormap, XtRBoolean, sizeof(Boolean) , offset(installColormap) , XtRImmediate, (XtPointer)TRUE}, {(String)GLwNallocateBackground, (String)GLwCAllocateColors, XtRBoolean, sizeof(Boolean) , offset(allocateBackground) , XtRImmediate, (XtPointer)FALSE}, {(String)GLwNallocateOtherColors, (String)GLwCAllocateColors, XtRBoolean, sizeof(Boolean) , offset(allocateOtherColors), XtRImmediate, (XtPointer)FALSE}, {(String)GLwNinstallBackground, (String)GLwCInstallBackground, XtRBoolean, sizeof(Boolean) , offset(installBackground) , XtRImmediate, (XtPointer)TRUE}, {(String)GLwNginitCallback, (String)GLwCCallback, XtRCallback, sizeof(XtCallbackList), offset(ginitCallback) , XtRImmediate, (XtPointer)NULL}, {(String)GLwNinputCallback, (String)GLwCCallback, XtRCallback, sizeof(XtCallbackList), offset(inputCallback) , XtRImmediate, (XtPointer)NULL}, {(String)GLwNresizeCallback, (String)GLwCCallback, XtRCallback, sizeof(XtCallbackList), offset(resizeCallback) , XtRImmediate, (XtPointer)NULL}, {(String)GLwNexposeCallback, (String)GLwCCallback, XtRCallback, sizeof(XtCallbackList), offset(exposeCallback) , XtRImmediate, (XtPointer)NULL}, /* Changes to Motif primitive resources */ #ifdef __GLX_MOTIF {(String)XmNtraversalOn, (String)XmCTraversalOn, XmRBoolean, sizeof (Boolean), XtOffset (GLwDrawingAreaWidget, primitive.traversal_on), XmRImmediate, (XtPointer)FALSE}, /* highlighting is normally disabled, as when Motif tries to disable * highlighting, it tries to reset the color back to the parent's * background (usually Motif blue). Unfortunately, that is in a * different colormap, and doesn't work too well. */ {(String)XmNhighlightOnEnter, (String)XmCHighlightOnEnter, XmRBoolean, sizeof(Boolean) , XtOffset(GLwDrawingAreaWidget, primitive.highlight_on_enter) , XmRImmediate, (XtPointer)FALSE}, {(String)XmNhighlightThickness, (String)XmCHighlightThickness, XmRHorizontalDimension, sizeof(Dimension), XtOffset(GLwDrawingAreaWidget, primitive.highlight_thickness), XmRImmediate, (XtPointer)0}, #endif }; /* ** The following resources are reobtained using XtGetApplicationResources ** in the initialize proc. */ /* The colormap */ static XtResource initializeResources[] = { /* reobtain the colormap with the new visual */ {XtNcolormap, XtCColormap, XtRColormap, sizeof(Colormap), XtOffset(GLwDrawingAreaWidget, core.colormap), XtRCallProc,(XtPointer) createColormap}, }; /* reallocate any colors we need in the new colormap */ /* The background is obtained only if the allocateBackground resource is TRUE*/ static XtResource backgroundResources[] = { #ifdef __GLX_MOTIF {XmNbackground, XmCBackground,XmRPixel, sizeof(Pixel),XtOffset(GLwDrawingAreaWidget,core.background_pixel), XmRString,(XtPointer)"lightgrey"}, /*XmRCallProc,(XtPointer)_XmBackgroundColorDefault},*/ {XmNbackgroundPixmap,XmCPixmap,XmRXmBackgroundPixmap, sizeof(Pixmap),XtOffset(GLwDrawingAreaWidget,core.background_pixmap), XmRImmediate,(XtPointer)XmUNSPECIFIED_PIXMAP}, #else {XtNbackground,XtCBackground,XtRPixel,sizeof(Pixel), XtOffset(GLwDrawingAreaWidget,core.background_pixel), XtRString,(XtPointer)"lightgrey"}, /*XtRString,(XtPointer)"XtDefaultBackground"},*/ {XtNbackgroundPixmap, XtCPixmap, XtRPixmap, sizeof(Pixmap), XtOffset(GLwDrawingAreaWidget,core.background_pixmap), XtRImmediate,(XtPointer)XtUnspecifiedPixmap}, #endif }; /* The other colors such as the foreground are allocated only if * allocateOtherColors are set. These resources only exist in Motif. */ #ifdef __GLX_MOTIF static XtResource otherColorResources[] = { {XmNforeground,XmCForeground,XmRPixel, sizeof(Pixel),XtOffset(GLwDrawingAreaWidget,primitive.foreground), XmRString,(XtPointer)"lighgrey"}, /*XmRCallProc, (XtPointer) _XmForegroundColorDefault},*/ {XmNhighlightColor,XmCHighlightColor,XmRPixel,sizeof(Pixel), XtOffset(GLwDrawingAreaWidget,primitive.highlight_color), XmRString,(XtPointer)"lightgrey"}, /*XmRCallProc,(XtPointer)_XmHighlightColorDefault},*/ {XmNhighlightPixmap,XmCHighlightPixmap,XmRPrimHighlightPixmap, sizeof(Pixmap), XtOffset(GLwDrawingAreaWidget,primitive.highlight_pixmap), XmRImmediate,(XtPointer)XmUNSPECIFIED_PIXMAP}, /*XmRCallProc,(XtPointer)_XmPrimitiveHighlightPixmapDefault},*/ }; #endif #undef offset GLwDrawingAreaClassRec glwDrawingAreaClassRec = { { /* core fields */ #ifdef __GLX_MOTIF /* superclass */ (WidgetClass) &xmPrimitiveClassRec, /* class_name */ (String)"GLwMDrawingArea", #else /* not __GLX_MOTIF */ /* superclass */ (WidgetClass) &widgetClassRec, /* class_name */ (String)"GLwDrawingArea", #endif /* __GLX_MOTIF */ /* widget_size */ sizeof(GLwDrawingAreaRec), /* class_initialize */ NULL, /* class_part_initialize */ NULL, /* class_inited */ FALSE, /* initialize */ (XtInitProc) Initialize, /* initialize_hook */ NULL, /* realize */ Realize, /* actions */ actions, /* num_actions */ XtNumber(actions), /* resources */ resources, /* num_resources */ XtNumber(resources), /* xrm_class */ NULLQUARK, /* compress_motion */ TRUE, /* compress_exposure */ TRUE, /* compress_enterleave */ TRUE, /* visible_interest */ TRUE, /* destroy */ (XtWidgetProc) Destroy, /* resize */ (XtWidgetProc) Resize, /* expose */ (XtExposeProc) Redraw, /* set_values */ NULL, /* set_values_hook */ NULL, /* set_values_almost */ XtInheritSetValuesAlmost, /* get_values_hook */ NULL, /* accept_focus */ NULL, /* version */ XtVersion, /* callback_private */ NULL, /* tm_table */ defaultTranslations, /* query_geometry */ XtInheritQueryGeometry, /* display_accelerator */ XtInheritDisplayAccelerator, /* extension */ NULL }, #ifdef __GLX_MOTIF /* primitive resources (XmPrimitiveClassPart) */ { /* border_highlight */ XmInheritBorderHighlight, /* border_unhighlight */ XmInheritBorderUnhighlight, /* translations */ XtInheritTranslations, /* arm_and_activate */ NULL, /* get_resources */ NULL, /* num get_resources */ 0, /* extension */ NULL, }, #endif { NULL }, }; WidgetClass glwDrawingAreaWidgetClass=(WidgetClass)&glwDrawingAreaClassRec; static void error(Widget w,const char* string){ char buf[100]; #ifdef __GLX_MOTIF sprintf(buf,"GLwMDrawingArea: %s\n",string); #else sprintf(buf,"GLwDrawingArea: %s\n",string); #endif XtAppError(XtWidgetToApplicationContext(w),buf); } static void warning(Widget w,const char* string){ char buf[100]; #ifdef __GLX_MOTIF sprintf (buf, "GLwMDraw: %s\n", string); #else sprintf (buf, "GLwDraw: %s\n", string); #endif XtAppWarning(XtWidgetToApplicationContext(w), buf); } /* Initialize the attribList based on the attributes */ static void createAttribList(GLwDrawingAreaWidget w){ int *ptr; w->glwDrawingArea.attribList = (int*)XtMalloc(ATTRIBLIST_SIZE*sizeof(int)); if(!w->glwDrawingArea.attribList){ error((Widget)w,"Unable to allocate attribute list"); } ptr = w->glwDrawingArea.attribList; *ptr++ = GLX_BUFFER_SIZE; *ptr++ = w->glwDrawingArea.bufferSize; *ptr++ = GLX_LEVEL; *ptr++ = w->glwDrawingArea.level; if(w->glwDrawingArea.rgba) *ptr++ = GLX_RGBA; if(w->glwDrawingArea.doublebuffer) *ptr++ = GLX_DOUBLEBUFFER; if(w->glwDrawingArea.stereo) *ptr++ = GLX_STEREO; *ptr++ = GLX_AUX_BUFFERS; *ptr++ = w->glwDrawingArea.auxBuffers; *ptr++ = GLX_RED_SIZE; *ptr++ = w->glwDrawingArea.redSize; *ptr++ = GLX_GREEN_SIZE; *ptr++ = w->glwDrawingArea.greenSize; *ptr++ = GLX_BLUE_SIZE; *ptr++ = w->glwDrawingArea.blueSize; *ptr++ = GLX_ALPHA_SIZE; *ptr++ = w->glwDrawingArea.alphaSize; *ptr++ = GLX_DEPTH_SIZE; *ptr++ = w->glwDrawingArea.depthSize; *ptr++ = GLX_STENCIL_SIZE; *ptr++ = w->glwDrawingArea.stencilSize; *ptr++ = GLX_ACCUM_RED_SIZE; *ptr++ = w->glwDrawingArea.accumRedSize; *ptr++ = GLX_ACCUM_GREEN_SIZE; *ptr++ = w->glwDrawingArea.accumGreenSize; *ptr++ = GLX_ACCUM_BLUE_SIZE; *ptr++ = w->glwDrawingArea.accumBlueSize; *ptr++ = GLX_ACCUM_ALPHA_SIZE; *ptr++ = w->glwDrawingArea.accumAlphaSize; *ptr++ = None; assert((ptr-w->glwDrawingArea.attribList)glwDrawingArea.attribList); w->glwDrawingArea.visualInfo=glXChooseVisual(XtDisplay(w),XScreenNumberOfScreen(XtScreen(w)),w->glwDrawingArea.attribList); if(!w->glwDrawingArea.visualInfo) error((Widget)w,"requested visual not supported"); } /* Initialize the colormap based on the visual info. * This routine maintains a cache of visual-infos to colormaps. If two * widgets share the same visual info, they share the same colormap. * This function is called by the callProc of the colormap resource entry. */ static void createColormap(GLwDrawingAreaWidget w,int offset,XrmValue *value){ static struct cmapCache { Visual *visual; Colormap cmap; } *cmapCache; static int cacheEntries=0; static int cacheMalloced=0; int i; USE(offset); assert(w->glwDrawingArea.visualInfo); /* see if we can find it in the cache */ for(i=0; iglwDrawingArea.visualInfo->visual){ value->addr=(XtPointer)(&cmapCache[i].cmap); return; } } /* not in the cache, create a new entry */ if(cacheEntries >= cacheMalloced){ /* need to malloc a new one. Since we are likely to have only a * few colormaps, we allocate one the first time, and double * each subsequent time. */ if(cacheMalloced==0){ cacheMalloced=1; cmapCache=(struct cmapCache*)XtMalloc(sizeof(struct cmapCache)); } else{ cacheMalloced<<=1; cmapCache=(struct cmapCache*)XtRealloc((char*)cmapCache,sizeof(struct cmapCache)*cacheMalloced); } } cmapCache[cacheEntries].cmap=XCreateColormap(XtDisplay(w), RootWindow(XtDisplay(w), w->glwDrawingArea.visualInfo->screen), w->glwDrawingArea.visualInfo->visual, AllocNone); cmapCache[cacheEntries].visual=w->glwDrawingArea.visualInfo->visual; value->addr=(XtPointer)(&cmapCache[cacheEntries++].cmap); } static void Initialize(GLwDrawingAreaWidget req,GLwDrawingAreaWidget neww,ArgList args,Cardinal *num_args){ /* fix size */ if(req->core.width==0) neww->core.width=100; if(req->core.height==0) neww->core.width=100; /* create the attribute list if needed */ neww->glwDrawingArea.myList=FALSE; if(neww->glwDrawingArea.attribList==NULL){ neww->glwDrawingArea.myList=TRUE; createAttribList(neww); } /* Gotta have it */ assert(neww->glwDrawingArea.attribList); /* determine the visual info if needed */ neww->glwDrawingArea.myVisual=FALSE; if(neww->glwDrawingArea.visualInfo==NULL){ neww->glwDrawingArea.myVisual=TRUE; createVisualInfo(neww); } /* Gotta have that too */ assert(neww->glwDrawingArea.visualInfo); neww->core.depth=neww->glwDrawingArea.visualInfo->depth; /* Reobtain the colormap and colors in it using XtGetApplicationResources*/ XtGetApplicationResources((Widget)neww,neww,initializeResources,XtNumber(initializeResources),args,*num_args); /* obtain the color resources if appropriate */ if(req->glwDrawingArea.allocateBackground){ XtGetApplicationResources((Widget)neww,neww,backgroundResources,XtNumber(backgroundResources),args,*num_args); } #ifdef __GLX_MOTIF if(req->glwDrawingArea.allocateOtherColors){ XtGetApplicationResources((Widget)neww,neww,otherColorResources,XtNumber(otherColorResources),args,*num_args); } #endif } static void Realize(Widget w,Mask *valueMask,XSetWindowAttributes *attributes){ GLwDrawingAreaWidget glw=(GLwDrawingAreaWidget)w; GLwDrawingAreaCallbackStruct cb; Widget parentShell; Status status; Window windows[2],*windowsReturn,*windowList; int countReturn,i; /* if we haven't requested that the background be both installed and * allocated, don't install it. */ if(!(glw->glwDrawingArea.installBackground && glw->glwDrawingArea.allocateBackground)){ *valueMask&=~CWBackPixel; } XtCreateWindow(w,(unsigned int)InputOutput,glw->glwDrawingArea.visualInfo->visual,*valueMask,attributes); /* if appropriate, call XSetWMColormapWindows to install the colormap */ if(glw->glwDrawingArea.installColormap){ /* Get parent shell */ for(parentShell=XtParent(w); parentShell&&!XtIsShell(parentShell); parentShell=XtParent(parentShell)); if(parentShell && XtWindow(parentShell)){ /* check to see if there is already a property */ status=XGetWMColormapWindows(XtDisplay(parentShell),XtWindow(parentShell),&windowsReturn,&countReturn); /* if no property, just create one */ if(!status){ windows[0]=XtWindow(w); windows[1]=XtWindow(parentShell); XSetWMColormapWindows(XtDisplay(parentShell),XtWindow(parentShell),windows,2); } /* there was a property, add myself to the beginning */ else{ windowList=(Window *)XtMalloc((sizeof(Window))*(countReturn+1)); windowList[0]=XtWindow(w); for(i=0; icore.width; cb.height=glw->core.height; XtCallCallbackList((Widget)glw,glw->glwDrawingArea.ginitCallback,&cb); } static void Redraw(GLwDrawingAreaWidget w,XEvent *event,Region region){ GLwDrawingAreaCallbackStruct cb; USE(region); if(!XtIsRealized((Widget)w)) return; cb.reason = GLwCR_EXPOSE; cb.event = event; cb.width = w->core.width; cb.height = w->core.height; XtCallCallbackList((Widget)w,w->glwDrawingArea.exposeCallback,&cb); } static void Resize(GLwDrawingAreaWidget glw){ GLwDrawingAreaCallbackStruct cb; if(!XtIsRealized((Widget)glw)) return; cb.reason=GLwCR_RESIZE; cb.event=NULL; cb.width=glw->core.width; cb.height=glw->core.height; XtCallCallbackList((Widget)glw,glw->glwDrawingArea.resizeCallback,&cb); } static void Destroy(GLwDrawingAreaWidget glw){ Window *windowsReturn; Widget parentShell; Status status; int countReturn; int i; if(glw->glwDrawingArea.myList && glw->glwDrawingArea.attribList){ XtFree((XtPointer)glw->glwDrawingArea.attribList); } if(glw->glwDrawingArea.myVisual && glw->glwDrawingArea.visualInfo){ XtFree((XtPointer)glw->glwDrawingArea.visualInfo); } /* if my colormap was installed, remove it */ if(glw->glwDrawingArea.installColormap){ /* Get parent shell */ for(parentShell=XtParent(glw); parentShell&&!XtIsShell(parentShell); parentShell=XtParent(parentShell)); if(parentShell && XtWindow(parentShell)){ /* make sure there is a property */ status=XGetWMColormapWindows(XtDisplay(parentShell),XtWindow(parentShell),&windowsReturn,&countReturn); /* if no property, just return. If there was a property, continue */ if(status){ /* search for a match */ for(i=0; icore.width; cb.height = glw->core.height; XtCallCallbackList((Widget)glw,glw->glwDrawingArea.inputCallback,&cb); } #ifdef __GLX_MOTIF /* Create routine */ Widget GLwCreateMDrawingArea(Widget parent, char *name,ArgList arglist,Cardinal argcount){ return XtCreateWidget(name,glwMDrawingAreaWidgetClass, parent, arglist,argcount); } #endif #ifndef __GLX_MOTIF /* Make context current */ void GLwDrawingAreaMakeCurrent(Widget w,GLXContext ctx){ glXMakeCurrent(XtDisplay(w),XtWindow(w),ctx); } /* Swap buffers convenience function */ void GLwDrawingAreaSwapBuffers(Widget w){ glXSwapBuffers(XtDisplay(w),XtWindow(w)); } #endif ./arbsrc_9167/GL/glAW/GLwDrawA.h0000644012664100000130000001717411440743001016060 0ustar arb_buildcoders/* * (c) Copyright 1993, Silicon Graphics, Inc. * ALL RIGHTS RESERVED * Permission to use, copy, modify, and distribute this software for * any purpose and without fee is hereby granted, provided that the above * copyright notice appear in all copies and that both the copyright notice * and this permission notice appear in supporting documentation, and that * the name of Silicon Graphics, Inc. not be used in advertising * or publicity pertaining to distribution of the software without specific, * written prior permission. * * THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" * AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, * INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR * FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON * GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, * SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY * KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, * LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF * THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN * ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON * ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE * POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. * * * US Government Users Restricted Rights * Use, duplication, or disclosure by the Government is subject to * restrictions set forth in FAR 52.227.19(c)(2) or subparagraph * (c)(1)(ii) of the Rights in Technical Data and Computer Software * clause at DFARS 252.227-7013 and/or in similar or successor * clauses in the FAR or the DOD or NASA FAR Supplement. * Unpublished-- rights reserved under the copyright laws of the * United States. Contractor/manufacturer is Silicon Graphics, * Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. * * OpenGL(TM) is a trademark of Silicon Graphics, Inc. */ #ifndef _GLwDrawA_h #define _GLwDrawA_h // #include #include #include /**************************************************************** * * GLwDrawingArea widgets * ****************************************************************/ /* Resources: Name Class RepType Default Value ---- ----- ------- ------------- attribList AttribList int * NULL visualInfo VisualInfo VisualInfo NULL installColormap InstallColormap Boolean TRUE allocateBackground AllocateColors Boolean FALSE allocateOtherColors AllocateColors Boolean FALSE installBackground InstallBackground Boolean TRUE exposeCallback Callback Pointer NULL ginitCallback Callback Pointer NULL inputCallback Callback Pointer NULL resizeCallback Callback Pointer NULL *** The following resources all correspond to the GLX configuration *** attributes and are used to create the attribList if it is NULL bufferSize BufferSize int 0 level Level int 0 rgba Rgba Boolean FALSE doublebuffer Doublebuffer Boolean FALSE stereo Stereo Boolean FALSE auxBuffers AuxBuffers int 0 redSize ColorSize int 1 greenSize ColorSize int 1 blueSize ColorSize int 1 alphaSize AlphaSize int 0 depthSize DepthSize int 0 stencilSize StencilSize int 0 accumRedSize AccumColorSize int 0 accumGreenSize AccumColorSize int 0 accumBlueSize AccumColorSize int 0 accumAlphaSize AccumAlphaSize int 0 */ #define GLwNattribList "attribList" #define GLwCAttribList "AttribList" #define GLwNvisualInfo "visualInfo" #define GLwCVisualInfo "VisualInfo" #define GLwRVisualInfo "VisualInfo" #define GLwNinstallColormap "installColormap" #define GLwCInstallColormap "InstallColormap" #define GLwNallocateBackground "allocateBackground" #define GLwNallocateOtherColors "allocateOtherColors" #define GLwCAllocateColors "AllocateColors" #define GLwNinstallBackground "installBackground" #define GLwCInstallBackground "InstallBackground" #define GLwCCallback "Callback" #define GLwNexposeCallback "exposeCallback" #define GLwNginitCallback "ginitCallback" #define GLwNresizeCallback "resizeCallback" #define GLwNinputCallback "inputCallback" #define GLwNbufferSize "bufferSize" #define GLwCBufferSize "BufferSize" #define GLwNlevel "level" #define GLwCLevel "Level" #define GLwNrgba "rgba" #define GLwCRgba "Rgba" #define GLwNdoublebuffer "doublebuffer" #define GLwCDoublebuffer "Doublebuffer" #define GLwNstereo "stereo" #define GLwCStereo "Stereo" #define GLwNauxBuffers "auxBuffers" #define GLwCAuxBuffers "AuxBuffers" #define GLwNredSize "redSize" #define GLwNgreenSize "greenSize" #define GLwNblueSize "blueSize" #define GLwCColorSize "ColorSize" #define GLwNalphaSize "alphaSize" #define GLwCAlphaSize "AlphaSize" #define GLwNdepthSize "depthSize" #define GLwCDepthSize "DepthSize" #define GLwNstencilSize "stencilSize" #define GLwCStencilSize "StencilSize" #define GLwNaccumRedSize "accumRedSize" #define GLwNaccumGreenSize "accumGreenSize" #define GLwNaccumBlueSize "accumBlueSize" #define GLwCAccumColorSize "AccumColorSize" #define GLwNaccumAlphaSize "accumAlphaSize" #define GLwCAccumAlphaSize "AccumAlphaSize" #ifdef __GLX_MOTIF typedef struct _GLwMDrawingAreaClassRec *GLwMDrawingAreaWidgetClass; typedef struct _GLwMDrawingAreaRec *GLwMDrawingAreaWidget; /** BUG. Extended by Daniel Koitzsch and Christian Becker */ // #define glwMDrawingAreaWidgetClass glwM1DrawingAreaWidgetClass // defining glwMDrawingAreaWidgetClass twice doesn't work #define glwMDrawingAreaWidgetClass glwM2DrawingAreaWidgetClass /** END OF EXT */ extern WidgetClass glwMDrawingAreaWidgetClass; #else typedef struct _GLwDrawingAreaClassRec *GLwDrawingAreaWidgetClass; typedef struct _GLwDrawingAreaRec *GLwDrawingAreaWidget; extern WidgetClass glwDrawingAreaWidgetClass; #endif /* Callback reasons */ #ifdef __GLX_MOTIF #define GLwCR_EXPOSE XmCR_EXPOSE #define GLwCR_RESIZE XmCR_RESIZE #define GLwCR_INPUT XmCR_INPUT #else /* The same values as Motif, but don't use Motif constants */ #define GLwCR_EXPOSE 38 #define GLwCR_RESIZE 39 #define GLwCR_INPUT 40 #endif #define GLwCR_GINIT 32135 /* Arbitrary number that should neverr clash */ typedef struct { int reason; XEvent *event; Dimension width,height; } GLwDrawingAreaCallbackStruct; #if defined(__cplusplus) || defined(c_plusplus) extern "C" { #endif /* front ends to glXMakeCurrent and glXSwapBuffers */ extern void GLwDrawingAreaMakeCurrent(Widget w,GLXContext ctx); extern void GLwDrawingAreaSwapBuffers(Widget w); #ifdef __GLX_MOTIF #ifdef _NO_PROTO extern Widget GLwCreateMDrawingArea(); #else extern Widget GLwCreateMDrawingArea(Widget parent,char *name,ArgList arglist,Cardinal argcount); #endif #endif #if defined(__cplusplus) || defined(c_plusplus) } #endif #endif ./arbsrc_9167/GL/glAW/GLwDrawAP.h0000644012664100000130000001030311440743001016163 0ustar arb_buildcoders/* * (c) Copyright 1993, Silicon Graphics, Inc. * ALL RIGHTS RESERVED * Permission to use, copy, modify, and distribute this software for * any purpose and without fee is hereby granted, provided that the above * copyright notice appear in all copies and that both the copyright notice * and this permission notice appear in supporting documentation, and that * the name of Silicon Graphics, Inc. not be used in advertising * or publicity pertaining to distribution of the software without specific, * written prior permission. * * THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" * AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, * INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR * FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON * GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, * SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY * KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, * LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF * THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN * ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON * ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE * POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. * * * US Government Users Restricted Rights * Use, duplication, or disclosure by the Government is subject to * restrictions set forth in FAR 52.227.19(c)(2) or subparagraph * (c)(1)(ii) of the Rights in Technical Data and Computer Software * clause at DFARS 252.227-7013 and/or in similar or successor * clauses in the FAR or the DOD or NASA FAR Supplement. * Unpublished-- rights reserved under the copyright laws of the * United States. Contractor/manufacturer is Silicon Graphics, * Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. * * OpenGL(TM) is a trademark of Silicon Graphics, Inc. */ #ifndef _GLwDrawAP_h #define _GLwDrawAP_h /* MOTIF */ #ifdef __GLX_MOTIF #include "GLwMDrawA.h" #else #include "GLwDrawA.h" #endif typedef struct _GLwDrawingAreaClassPart { caddr_t extension; } GLwDrawingAreaClassPart; #ifdef __GLX_MOTIF typedef struct _GLwMDrawingAreaClassRec { CoreClassPart core_class; XmPrimitiveClassPart primitive_class; GLwDrawingAreaClassPart glwDrawingArea_class; } GLwMDrawingAreaClassRec; extern GLwMDrawingAreaClassRec glwMDrawingAreaClassRec; /* XT */ #else typedef struct _GLwDrawingAreaClassRec { CoreClassPart core_class; GLwDrawingAreaClassPart glwDrawingArea_class; } GLwDrawingAreaClassRec; extern GLwDrawingAreaClassRec glwDrawingAreaClassRec; #endif typedef struct { /* resources */ int * attribList; XVisualInfo * visualInfo; Boolean myList; /* TRUE if we malloced the attribList*/ Boolean myVisual; /* TRUE if we created the visualInfo*/ Boolean installColormap; Boolean allocateBackground; Boolean allocateOtherColors; Boolean installBackground; XtCallbackList ginitCallback; XtCallbackList resizeCallback; XtCallbackList exposeCallback; XtCallbackList inputCallback; /* specific attributes; add as we get new attributes */ int bufferSize; int level; Boolean rgba; Boolean doublebuffer; Boolean stereo; int auxBuffers; int redSize; int greenSize; int blueSize; int alphaSize; int depthSize; int stencilSize; int accumRedSize; int accumGreenSize; int accumBlueSize; int accumAlphaSize; } GLwDrawingAreaPart; #ifdef __GLX_MOTIF typedef struct _GLwMDrawingAreaRec { CorePart core; XmPrimitivePart primitive; GLwDrawingAreaPart glwDrawingArea; } GLwMDrawingAreaRec; #else typedef struct _GLwDrawingAreaRec { CorePart core; GLwDrawingAreaPart glwDrawingArea; } GLwDrawingAreaRec; #endif #endif ./arbsrc_9167/GL/glAW/GLwMDrawA.c0000644012664100000130000000375611440743001016171 0ustar arb_buildcoders/* * (c) Copyright 1993, Silicon Graphics, Inc. * ALL RIGHTS RESERVED * Permission to use, copy, modify, and distribute this software for * any purpose and without fee is hereby granted, provided that the above * copyright notice appear in all copies and that both the copyright notice * and this permission notice appear in supporting documentation, and that * the name of Silicon Graphics, Inc. not be used in advertising * or publicity pertaining to distribution of the software without specific, * written prior permission. * * THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" * AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, * INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR * FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON * GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, * SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY * KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, * LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF * THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN * ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON * ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE * POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. * * * US Government Users Restricted Rights * Use, duplication, or disclosure by the Government is subject to * restrictions set forth in FAR 52.227.19(c)(2) or subparagraph * (c)(1)(ii) of the Rights in Technical Data and Computer Software * clause at DFARS 252.227-7013 and/or in similar or successor * clauses in the FAR or the DOD or NASA FAR Supplement. * Unpublished-- rights reserved under the copyright laws of the * United States. Contractor/manufacturer is Silicon Graphics, * Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. * * OpenGL(TM) is a trademark of Silicon Graphics, Inc. */ #ifndef __GLX_MOTIF #define __GLX_MOTIF 1 #endif #include "GLwDrawA.c" ./arbsrc_9167/GL/glAW/GLwMDrawA.h0000644012664100000130000000375611440743001016176 0ustar arb_buildcoders/* * (c) Copyright 1993, Silicon Graphics, Inc. * ALL RIGHTS RESERVED * Permission to use, copy, modify, and distribute this software for * any purpose and without fee is hereby granted, provided that the above * copyright notice appear in all copies and that both the copyright notice * and this permission notice appear in supporting documentation, and that * the name of Silicon Graphics, Inc. not be used in advertising * or publicity pertaining to distribution of the software without specific, * written prior permission. * * THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" * AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, * INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR * FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON * GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, * SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY * KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, * LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF * THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN * ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON * ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE * POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. * * * US Government Users Restricted Rights * Use, duplication, or disclosure by the Government is subject to * restrictions set forth in FAR 52.227.19(c)(2) or subparagraph * (c)(1)(ii) of the Rights in Technical Data and Computer Software * clause at DFARS 252.227-7013 and/or in similar or successor * clauses in the FAR or the DOD or NASA FAR Supplement. * Unpublished-- rights reserved under the copyright laws of the * United States. Contractor/manufacturer is Silicon Graphics, * Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. * * OpenGL(TM) is a trademark of Silicon Graphics, Inc. */ #ifndef __GLX_MOTIF #define __GLX_MOTIF 1 #endif #include "GLwDrawA.h" ./arbsrc_9167/GL/glAW/GLwMDrawAP.h0000644012664100000130000000375711440743001016317 0ustar arb_buildcoders/* * (c) Copyright 1993, Silicon Graphics, Inc. * ALL RIGHTS RESERVED * Permission to use, copy, modify, and distribute this software for * any purpose and without fee is hereby granted, provided that the above * copyright notice appear in all copies and that both the copyright notice * and this permission notice appear in supporting documentation, and that * the name of Silicon Graphics, Inc. not be used in advertising * or publicity pertaining to distribution of the software without specific, * written prior permission. * * THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" * AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, * INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR * FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON * GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, * SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY * KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, * LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF * THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN * ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON * ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE * POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. * * * US Government Users Restricted Rights * Use, duplication, or disclosure by the Government is subject to * restrictions set forth in FAR 52.227.19(c)(2) or subparagraph * (c)(1)(ii) of the Rights in Technical Data and Computer Software * clause at DFARS 252.227-7013 and/or in similar or successor * clauses in the FAR or the DOD or NASA FAR Supplement. * Unpublished-- rights reserved under the copyright laws of the * United States. Contractor/manufacturer is Silicon Graphics, * Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. * * OpenGL(TM) is a trademark of Silicon Graphics, Inc. */ #ifndef __GLX_MOTIF #define __GLX_MOTIF 1 #endif #include "GLwDrawAP.h" ./arbsrc_9167/GL/glAW/Makefile0000644012664100000130000000323511440743001015730 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = GLwMDrawA.o CPP_OBJECTS = $(subst .cxx,.o,$(wildcard *.cxx)) OBJECTS = $(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) -I$(ARBHOME)/WINDOW $(POST_COMPILE) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl AW_window_ogl.o: aw_window_ogl.hxx AW_window_ogl.o: GLwDrawA.h AW_window_ogl.o: GLwMDrawA.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/arbdb.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/attributes.h AW_window_ogl.o: $(ARBHOME)/INCLUDE/aw_device.hxx AW_window_ogl.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx AW_window_ogl.o: $(ARBHOME)/INCLUDE/aw_position.hxx AW_window_ogl.o: $(ARBHOME)/INCLUDE/aw_root.hxx AW_window_ogl.o: $(ARBHOME)/INCLUDE/aw_window.hxx GLwMDrawA.o: GLwDrawA.c GLwMDrawA.o: GLwDrawA.h GLwMDrawA.o: GLwDrawAP.h GLwMDrawA.o: GLwMDrawA.h GLwMDrawA.o: GLwMDrawAP.h ./arbsrc_9167/GL/glpng/glpng.c0000644012664100000130000005313512050705371016032 0ustar arb_buildcoders/* * PNG loader library for OpenGL v1.45 (10/07/00) * by Ben Wyatt ben@wyatt100.freeserve.co.uk * Using LibPNG 1.0.2 and ZLib 1.1.3 * * This software is provided 'as-is', without any express or implied warranty. * In no event will the author be held liable for any damages arising from the * use of this software. * * Permission is hereby granted to use, copy, modify, and distribute this * source code, or portions hereof, for any purpose, without fee, subject to * the following restrictions: * * 1. The origin of this source code must not be misrepresented. You must not * claim that you wrote the original software. If you use this software in * a product, an acknowledgment in the product documentation would be * appreciated but is not required. * 2. Altered versions must be plainly marked as such and must not be * misrepresented as being the original source. * 3. This notice must not be removed or altered from any source distribution. * * This version has been modified for usage inside ARB * http://arb-home.de/ * */ #ifdef _WIN32 /* Stupid Windows needs to include windows.h before gl.h */ #undef FAR #include #endif #include #include #include #include #include #include #include #if 0 #define PNG_CHECK_SIG(header,size) png_check_sig(header,size) // old libpng #else #define PNG_CHECK_SIG(header,size) (png_sig_cmp(header,0,size)==0) #endif /* Used to decide if GL/gl.h supports the paletted extension */ #ifdef GL_COLOR_INDEX1_EXT #define SUPPORTS_PALETTE_EXT #endif static unsigned char DefaultAlphaCallback(unsigned char red, unsigned char green, unsigned char blue) { red = green = blue; // unused return 255; } static unsigned char StencilRed = 0, StencilGreen = 0, StencilBlue = 0; static unsigned char (*AlphaCallback)(unsigned char red, unsigned char green, unsigned char blue) = DefaultAlphaCallback; static int StandardOrientation = 0; #ifdef SUPPORTS_PALETTE_EXT #ifdef _WIN32 static PFNGLCOLORTABLEEXTPROC glColorTableEXT = NULL; #endif #endif static int PalettedTextures = -1; static GLint MaxTextureSize = 0; /* screenGamma = displayGamma/viewingGamma * displayGamma = CRT has gamma of ~2.2 * viewingGamma depends on platform. PC is 1.0, Mac is 1.45, * but this can be checked and changed w/ /usr/sbin/gamma command. * If the environment variable VIEWING_GAMMA is set, adjust gamma per this value. */ #ifdef _MAC static double screenGamma = 2.2 / 1.45; #else /* PC/default */ static double screenGamma = 2.2 / 1.0; #endif static char gammaExplicit = 0; /*if */ static void checkForGammaEnv() { double viewingGamma; char *gammaEnv = getenv("VIEWING_GAMMA"); if(gammaEnv && !gammaExplicit) { sscanf(gammaEnv, "%lf", &viewingGamma); screenGamma = 2.2/viewingGamma; } } /* Returns a safe texture size to use (ie a power of 2), based on the current texture size "i" */ static int SafeSize(int i) { int p; if (i > MaxTextureSize) return MaxTextureSize; for (p = 0; p < 24; p++) if (i <= (1< 1 && height > 1) { if (filter) for (y = 0; y < height; y += 2) { for (x = 0; x < width; x += 2) { for (c = 0; c < components; c++) { *d++ = (GET(0)+GET(components)+GET(line)+GET(line+components)) / 4; data++; } data += components; } data += line; } else for (y = 0; y < height; y += 2) { for (x = 0; x < width; x += 2) { for (c = 0; c < components; c++) { *d++ = GET(0); data++; } data += components; } data += line; } } else if (width > 1 && height == 1) { if (filter) for (y = 0; y < height; y += 1) { for (x = 0; x < width; x += 2) { for (c = 0; c < components; c++) { *d++ = (GET(0)+GET(components)) / 2; data++; } data += components; } } else for (y = 0; y < height; y += 1) { for (x = 0; x < width; x += 2) { for (c = 0; c < components; c++) { *d++ = GET(0); data++; } data += components; } } } else if (width == 1 && height > 1) { if (filter) for (y = 0; y < height; y += 2) { for (x = 0; x < width; x += 1) { for (c = 0; c < components; c++) { *d++ = (GET(0)+GET(line)) / 2; data++; } } data += line; } else for (y = 0; y < height; y += 2) { for (x = 0; x < width; x += 1) { for (c = 0; c < components; c++) { *d++ = GET(0); data++; } } data += line; } } else { return 0; } return 1; } #undef GET /* Replacement for gluBuild2DMipmaps so GLU isn't needed */ static void Build2DMipmaps(GLint components, GLint width, GLint height, GLenum format, const unsigned char *data, int filter) { int level = 0; unsigned char *d = (unsigned char *) malloc((width/2)*(height/2)*components+4); const unsigned char *last = data; glTexImage2D(GL_TEXTURE_2D, level, components, width, height, 0, format, GL_UNSIGNED_BYTE, data); level++; while (HalfSize(components, width, height, last, d, filter)) { if (width > 1) width /= 2; if (height > 1) height /= 2; glTexImage2D(GL_TEXTURE_2D, level, components, width, height, 0, format, GL_UNSIGNED_BYTE, d); level++; last = d; } free(d); } int APIENTRY pngLoadRaw(const char *filename, pngRawInfo *pinfo) { int result; FILE *fp = fopen(filename, "rb"); if (fp == NULL) return 0; result = pngLoadRawF(fp, pinfo); if (fclose(fp) != 0) { if (result) { free(pinfo->Data); free(pinfo->Palette); } return 0; } return result; } int APIENTRY pngLoadRawF(FILE *fp, pngRawInfo *pinfo) { unsigned char header[8]; png_structp png; png_infop info; png_infop endinfo; png_bytep data; png_bytep *row_p; double fileGamma; png_uint_32 width, height; int depth, color; png_uint_32 i; if (pinfo == NULL) return 0; fread(header, 1, 8, fp); if (!PNG_CHECK_SIG(header, 8)) return 0; png = png_create_read_struct(PNG_LIBPNG_VER_STRING, NULL, NULL, NULL); info = png_create_info_struct(png); endinfo = png_create_info_struct(png); // DH: added following lines if (setjmp(png->jmpbuf)) { png_destroy_read_struct(&png, &info, &endinfo); return 0; } // ~DH png_init_io(png, fp); png_set_sig_bytes(png, 8); png_read_info(png, info); png_get_IHDR(png, info, &width, &height, &depth, &color, NULL, NULL, NULL); pinfo->Width = width; pinfo->Height = height; pinfo->Depth = depth; /*--GAMMA--*/ checkForGammaEnv(); if (png_get_gAMA(png, info, &fileGamma)) png_set_gamma(png, screenGamma, fileGamma); else png_set_gamma(png, screenGamma, 1.0/2.2); png_read_update_info(png, info); data = (png_bytep) malloc(png_get_rowbytes(png, info)*height); row_p = (png_bytep *) malloc(sizeof(png_bytep)*height); for (i = 0; i < height; i++) { if (StandardOrientation) row_p[height - 1 - i] = &data[png_get_rowbytes(png, info)*i]; else row_p[i] = &data[png_get_rowbytes(png, info)*i]; } png_read_image(png, row_p); free(row_p); if (color == PNG_COLOR_TYPE_PALETTE) { int cols; unsigned char **palette = &pinfo->Palette; png_get_PLTE(png, info, (png_colorp *) palette, &cols); } else { pinfo->Palette = NULL; } if (color&PNG_COLOR_MASK_ALPHA) { if (color&PNG_COLOR_MASK_PALETTE || color == PNG_COLOR_TYPE_GRAY_ALPHA) pinfo->Components = 2; else pinfo->Components = 4; pinfo->Alpha = 8; } else { if (color&PNG_COLOR_MASK_PALETTE || color == PNG_COLOR_TYPE_GRAY) pinfo->Components = 1; else pinfo->Components = 3; pinfo->Alpha = 0; } pinfo->Data = data; png_read_end(png, endinfo); png_destroy_read_struct(&png, &info, &endinfo); return 1; } int APIENTRY pngLoad(const char *filename, int mipmap, int trans, pngInfo *pinfo) { int result; FILE *fp = fopen(filename, "rb"); if (fp == NULL) return 0; result = pngLoadF(fp, mipmap, trans, pinfo); if (fclose(fp) != 0) return 0; return result; } int APIENTRY pngLoadF(FILE *fp, int mipmap, int trans, pngInfo *pinfo) { GLint pack, unpack; unsigned char header[8]; png_structp png; png_infop info; png_infop endinfo; png_bytep data, data2; png_bytep *row_p; double fileGamma; png_uint_32 width, height, rw, rh; int depth, color; png_uint_32 i; fread(header, 1, 8, fp); if (!PNG_CHECK_SIG(header, 8)) return 0; png = png_create_read_struct(PNG_LIBPNG_VER_STRING, NULL, NULL, NULL); info = png_create_info_struct(png); endinfo = png_create_info_struct(png); // DH: added following lines if (setjmp(png_jmpbuf(png))) { png_destroy_read_struct(&png, &info, &endinfo); return 0; } // ~DH png_init_io(png, fp); png_set_sig_bytes(png, 8); png_read_info(png, info); png_get_IHDR(png, info, &width, &height, &depth, &color, NULL, NULL, NULL); if (pinfo != NULL) { pinfo->Width = width; pinfo->Height = height; pinfo->Depth = depth; } if (MaxTextureSize == 0) glGetIntegerv(GL_MAX_TEXTURE_SIZE, &MaxTextureSize); #ifdef SUPPORTS_PALETTE_EXT #ifdef _WIN32 if (PalettedTextures == -1) PalettedTextures = ExtSupported("GL_EXT_paletted_texture") && (strstr((const char *) glGetString(GL_VERSION), "1.1.0 3Dfx Beta") == NULL); if (PalettedTextures) { if (glColorTableEXT == NULL) { glColorTableEXT = (PFNGLCOLORTABLEEXTPROC) wglGetProcAddress("glColorTableEXT"); if (glColorTableEXT == NULL) PalettedTextures = 0; } } #endif #endif if (PalettedTextures == -1) PalettedTextures = 0; if (color == PNG_COLOR_TYPE_GRAY || color == PNG_COLOR_TYPE_GRAY_ALPHA) png_set_gray_to_rgb(png); if (color&PNG_COLOR_MASK_ALPHA && trans != PNG_ALPHA) { png_set_strip_alpha(png); color &= ~PNG_COLOR_MASK_ALPHA; } if (!(PalettedTextures && mipmap >= 0 && trans == PNG_SOLID)) if (color == PNG_COLOR_TYPE_PALETTE) png_set_expand(png); /*--GAMMA--*/ checkForGammaEnv(); if (png_get_gAMA(png, info, &fileGamma)) png_set_gamma(png, screenGamma, fileGamma); else png_set_gamma(png, screenGamma, 1.0/2.2); png_read_update_info(png, info); data = (png_bytep) malloc(png_get_rowbytes(png, info)*height); row_p = (png_bytep *) malloc(sizeof(png_bytep)*height); for (i = 0; i < height; i++) { if (StandardOrientation) row_p[height - 1 - i] = &data[png_get_rowbytes(png, info)*i]; else row_p[i] = &data[png_get_rowbytes(png, info)*i]; } png_read_image(png, row_p); free(row_p); rw = SafeSize(width), rh = SafeSize(height); if (rw != width || rh != height) { const int channels = png_get_rowbytes(png, info)/width; data2 = (png_bytep) malloc(rw*rh*channels); /* Doesn't work on certain sizes */ /* if (gluScaleImage(glformat, width, height, GL_UNSIGNED_BYTE, data, rw, rh, GL_UNSIGNED_BYTE, data2) != 0) return 0; */ Resize(channels, data, width, height, data2, rw, rh); width = rw, height = rh; free(data); data = data2; } { /* OpenGL stuff */ glGetIntegerv(GL_PACK_ALIGNMENT, &pack); glGetIntegerv(GL_UNPACK_ALIGNMENT, &unpack); glPixelStorei(GL_PACK_ALIGNMENT, 1); glPixelStorei(GL_UNPACK_ALIGNMENT, 1); #ifdef SUPPORTS_PALETTE_EXT if (PalettedTextures && mipmap >= 0 && trans == PNG_SOLID && color == PNG_COLOR_TYPE_PALETTE) { png_colorp pal; int cols; GLint intf; if (pinfo != NULL) pinfo->Alpha = 0; png_get_PLTE(png, info, &pal, &cols); switch (cols) { case 1<<1: intf = GL_COLOR_INDEX1_EXT; break; case 1<<2: intf = GL_COLOR_INDEX2_EXT; break; case 1<<4: intf = GL_COLOR_INDEX4_EXT; break; case 1<<8: intf = GL_COLOR_INDEX8_EXT; break; case 1<<12: intf = GL_COLOR_INDEX12_EXT; break; case 1<<16: intf = GL_COLOR_INDEX16_EXT; break; default: /*printf("Warning: Colour depth %i not recognised\n", cols);*/ return 0; } glColorTableEXT(GL_TEXTURE_2D, GL_RGB8, cols, GL_RGB, GL_UNSIGNED_BYTE, pal); glTexImage2D(GL_TEXTURE_2D, mipmap, intf, width, height, 0, GL_COLOR_INDEX, GL_UNSIGNED_BYTE, data); } else #endif if (trans == PNG_SOLID || trans == PNG_ALPHA || color == PNG_COLOR_TYPE_RGB_ALPHA || color == PNG_COLOR_TYPE_GRAY_ALPHA) { GLenum glformat; GLint glcomponent; switch (color) { case PNG_COLOR_TYPE_GRAY: case PNG_COLOR_TYPE_RGB: case PNG_COLOR_TYPE_PALETTE: glformat = GL_RGB; glcomponent = 3; if (pinfo != NULL) pinfo->Alpha = 0; break; case PNG_COLOR_TYPE_GRAY_ALPHA: case PNG_COLOR_TYPE_RGB_ALPHA: glformat = GL_RGBA; glcomponent = 4; if (pinfo != NULL) pinfo->Alpha = 8; break; default: /*puts("glformat not set");*/ return 0; } if (mipmap == PNG_BUILDMIPMAPS) Build2DMipmaps(glcomponent, width, height, glformat, data, 1); else if (mipmap == PNG_SIMPLEMIPMAPS) Build2DMipmaps(glcomponent, width, height, glformat, data, 0); else glTexImage2D(GL_TEXTURE_2D, mipmap, glcomponent, width, height, 0, glformat, GL_UNSIGNED_BYTE, data); } else { png_bytep p, endp, q; int r, g, b, a; p = data, endp = p+width*height*3; q = data2 = (png_bytep) malloc(sizeof(png_byte)*width*height*4); if (pinfo != NULL) pinfo->Alpha = 8; #define FORSTART \ do { \ r = *p++; /*red */ \ g = *p++; /*green*/ \ b = *p++; /*blue */ \ *q++ = r; \ *q++ = g; \ *q++ = b; #define FOREND \ q++; \ } while (p != endp); #define ALPHA *q switch (trans) { case PNG_CALLBACK: FORSTART ALPHA = AlphaCallback((unsigned char) r, (unsigned char) g, (unsigned char) b); FOREND break; case PNG_STENCIL: FORSTART if (r == StencilRed && g == StencilGreen && b == StencilBlue) ALPHA = 0; else ALPHA = 255; FOREND break; case PNG_BLEND1: FORSTART a = r+g+b; if (a > 255) ALPHA = 255; else ALPHA = a; FOREND break; case PNG_BLEND2: FORSTART a = r+g+b; if (a > 255*2) ALPHA = 255; else ALPHA = a/2; FOREND break; case PNG_BLEND3: FORSTART ALPHA = (r+g+b)/3; FOREND break; case PNG_BLEND4: FORSTART a = r*r+g*g+b*b; if (a > 255) ALPHA = 255; else ALPHA = a; FOREND break; case PNG_BLEND5: FORSTART a = r*r+g*g+b*b; if (a > 255*2) ALPHA = 255; else ALPHA = a/2; FOREND break; case PNG_BLEND6: FORSTART a = r*r+g*g+b*b; if (a > 255*3) ALPHA = 255; else ALPHA = a/3; FOREND break; case PNG_BLEND7: FORSTART a = r*r+g*g+b*b; if (a > 255*255) ALPHA = 255; else ALPHA = (int) sqrt(a); FOREND break; } #undef FORSTART #undef FOREND #undef ALPHA if (mipmap == PNG_BUILDMIPMAPS) Build2DMipmaps(4, width, height, GL_RGBA, data2, 1); else if (mipmap == PNG_SIMPLEMIPMAPS) Build2DMipmaps(4, width, height, GL_RGBA, data2, 0); else glTexImage2D(GL_TEXTURE_2D, mipmap, 4, width, height, 0, GL_RGBA, GL_UNSIGNED_BYTE, data2); free(data2); } glPixelStorei(GL_PACK_ALIGNMENT, pack); glPixelStorei(GL_UNPACK_ALIGNMENT, unpack); } /* OpenGL end */ png_read_end(png, endinfo); png_destroy_read_struct(&png, &info, &endinfo); free(data); return 1; } static unsigned int SetParams(int wrapst, int magfilter, int minfilter) { unsigned int id; glGenTextures(1, &id); glBindTexture(GL_TEXTURE_2D, id); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_S, wrapst); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_T, wrapst); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, magfilter); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, minfilter); return id; } unsigned int APIENTRY pngBind(const char *filename, int mipmap, int trans, pngInfo *info, int wrapst, int minfilter, int magfilter) { unsigned int id = SetParams(wrapst, magfilter, minfilter); if (id != 0 && pngLoad(filename, mipmap, trans, info)) return id; return 0; } unsigned int APIENTRY pngBindF(FILE *file, int mipmap, int trans, pngInfo *info, int wrapst, int minfilter, int magfilter) { unsigned int id = SetParams(wrapst, magfilter, minfilter); if (id != 0 && pngLoadF(file, mipmap, trans, info)) return id; return 0; } void APIENTRY pngSetStencil(unsigned char red, unsigned char green, unsigned char blue) { StencilRed = red, StencilGreen = green, StencilBlue = blue; } void APIENTRY pngSetAlphaCallback(unsigned char (*callback)(unsigned char red, unsigned char green, unsigned char blue)) { if (callback == NULL) AlphaCallback = DefaultAlphaCallback; else AlphaCallback = callback; } void APIENTRY pngSetViewingGamma(double viewingGamma) { if(viewingGamma > 0) { gammaExplicit = 1; screenGamma = 2.2/viewingGamma; } else { gammaExplicit = 0; screenGamma = 2.2; } } void APIENTRY pngSetStandardOrientation(int standardorientation) { StandardOrientation = standardorientation; } ./arbsrc_9167/GL/glpng/glpng.h0000644012664100000130000001013011440743001016015 0ustar arb_buildcoders/* * PNG loader library for OpenGL v1.45 (10/07/00) * by Ben Wyatt ben@wyatt100.freeserve.co.uk * Using LibPNG 1.0.2 and ZLib 1.1.3 * * This software is provided 'as-is', without any express or implied warranty. * In no event will the author be held liable for any damages arising from the * use of this software. * * Permission is hereby granted to use, copy, modify, and distribute this * source code, or portions hereof, for any purpose, without fee, subject to * the following restrictions: * * 1. The origin of this source code must not be misrepresented. You must not * claim that you wrote the original software. If you use this software in * a product, an acknowledgment in the product documentation would be * appreciated but is not required. * 2. Altered versions must be plainly marked as such and must not be * misrepresented as being the original source. * 3. This notice must not be removed or altered from any source distribution. */ #ifndef _GLPNG_H_ #define _GLPNG_H_ #include #ifdef __cplusplus extern "C" { #endif #ifdef _MSC_VER #ifdef _DEBUG #pragma comment (lib, "glpngd.lib") #else #pragma comment (lib, "glpng.lib") #endif #endif /* XXX This is from Win32's */ #ifndef APIENTRY #if (_MSC_VER >= 800) || defined(_STDCALL_SUPPORTED) #define APIENTRY __stdcall #else #define APIENTRY #endif #endif /* Mipmapping parameters */ #define PNG_NOMIPMAPS 0 /* No mipmapping */ #define PNG_BUILDMIPMAPS -1 /* Calls a clone of gluBuild2DMipmaps() */ #define PNG_SIMPLEMIPMAPS -2 /* Generates mipmaps without filtering */ /* Who needs an "S" anyway? */ #define PNG_NOMIPMAP PNG_NOMIPMAPS #define PNG_BUILDMIPMAP PNG_BUILDMIPMAPS #define PNG_SIMPLEMIPMAP PNG_SIMPLEMIPMAPS /* Transparency parameters */ #define PNG_CALLBACK -3 /* Call the callback function to generate alpha */ #define PNG_ALPHA -2 /* Use alpha channel in PNG file, if there is one */ #define PNG_SOLID -1 /* No transparency */ #define PNG_STENCIL 0 /* Sets alpha to 0 for r=g=b=0, 1 otherwise */ #define PNG_BLEND1 1 /* a = r+g+b */ #define PNG_BLEND2 2 /* a = (r+g+b)/2 */ #define PNG_BLEND3 3 /* a = (r+g+b)/3 */ #define PNG_BLEND4 4 /* a = r*r+g*g+b*b */ #define PNG_BLEND5 5 /* a = (r*r+g*g+b*b)/2 */ #define PNG_BLEND6 6 /* a = (r*r+g*g+b*b)/3 */ #define PNG_BLEND7 7 /* a = (r*r+g*g+b*b)/4 */ #define PNG_BLEND8 8 /* a = sqrt(r*r+g*g+b*b) */ typedef struct { unsigned int Width; unsigned int Height; unsigned int Depth; unsigned int Alpha; } pngInfo; typedef struct { unsigned int Width; unsigned int Height; unsigned int Depth; unsigned int Alpha; unsigned int Components; unsigned char *Data; unsigned char *Palette; } pngRawInfo; extern int APIENTRY pngLoadRaw(const char *filename, pngRawInfo *rawinfo); extern int APIENTRY pngLoadRawF(FILE *file, pngRawInfo *rawinfo); extern int APIENTRY pngLoad(const char *filename, int mipmap, int trans, pngInfo *info); extern int APIENTRY pngLoadF(FILE *file, int mipmap, int trans, pngInfo *info); extern unsigned int APIENTRY pngBind(const char *filename, int mipmap, int trans, pngInfo *info, int wrapst, int minfilter, int magfilter); extern unsigned int APIENTRY pngBindF(FILE *file, int mipmap, int trans, pngInfo *info, int wrapst, int minfilter, int magfilter); extern void APIENTRY pngSetStencil(unsigned char red, unsigned char green, unsigned char blue); extern void APIENTRY pngSetAlphaCallback(unsigned char (*callback)(unsigned char red, unsigned char green, unsigned char blue)); extern void APIENTRY pngSetViewingGamma(double viewingGamma); extern void APIENTRY pngSetStandardOrientation(int standardorientation); #ifdef __cplusplus } #endif #endif ./arbsrc_9167/GL/glpng/Makefile0000644012664100000130000000144711213220015016201 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .depend C_OBJECTS = glpng.o $(MAIN): $(C_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(C_OBJECTS) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) clean: rm -f $(C_OBJECTS) *.a DEPENDS = $(C_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl glpng.o: $(ARBHOME)/INCLUDE/GL/glpng.h ./arbsrc_9167/GL/Makefile0000644012664100000130000000305111213220015015063 0ustar arb_buildcoders ARCHS_ALL = \ glpng/libglpng_arb.dummy \ glAW/libglAW.dummy \ # -------------------------------------------------------------------------------- # If a package is available as debian package it should go here ARCHS_NON_DEBIAN = \ # -------------------------------------------------------------------------------- ifdef DEBIAN ARCHS = $(ARCHS_ALL) else ARCHS = $(ARCHS_ALL) $(ARCHS_NON_DEBIAN) endif # -------------------------------------------------------------------------------- # warnings in this subtree? RAISE_WARNINGS=1 ifeq ($(RAISE_WARNINGS),0) CPP:=$(CPP:-W -Wall=-w) ACC:=$(ACC:-W -Wall=-w) endif include $(ARBHOME)/SOURCE_TOOLS/export2sub # -------------------------------------------------------------------------------- $(MAIN): $(ARCHS) depends: $(ARCHS:.dummy=.depend) clean: $(ARCHS:.dummy=.clean) %.depend: @cp -p $(@D)/Makefile $(@D)/Makefile.old # save old Makefile @$(MAKE) -C $(@D) -r depends @grep "^# DO NOT DELETE" $(@D)/Makefile >/dev/null # check whether sub Makefile has dependencies @cat $(@D)/Makefile \ | ../SOURCE_TOOLS/fix_depends.pl \ >$(@D)/Makefile.2 @mv $(@D)/Makefile.old $(@D)/Makefile # restore old Makefile @$(ARBHOME)/SOURCE_TOOLS/mv_if_diff $(@D)/Makefile.2 $(@D)/Makefile # update Makefile if changed %.dummy: @$(MAKE) -C $(@D) -r \ "ARB = yes" \ "MAIN = $(@F:.dummy=.a)" \ "cflags = $(cflags) -DIN_ARB_$(@D:/=)" \ %.clean: @$(MAKE) -C $(@D) \ clean # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ./arbsrc_9167/HELP_SOURCE/arb_help2xml.cxx0000644012664100000130000013014411460347216020061 0ustar arb_buildcoders// ==================================================================== // // // // File : arb_help2xml.cxx // // Purpose : Converts old ARB help format to XML // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in October 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef ARB_ASSERT_H #include #endif #define h2x_assert(bed) arb_assert(bed) #include #include #include #include #include #include #include #include #include #include #include #include using namespace std; #if defined(DEBUG) #define WARN_TODO #endif // DEBUG // #define DUMP_DATA // use this to see internal data (class Helpfile) #define MAX_LINE_LENGTH 2000 // maximum length of lines in input stream #define TABSIZE 8 static const char *knownSections[] = { "OCCURRENCE", "DESCRIPTION", "NOTES", "EXAMPLES", "WARNINGS", "BUGS", "QUESTION", "ANSWER", "SECTION", 0 }; static string vstrf(const char *format, va_list argPtr) __ATTR__VFORMAT(1); static string vstrf(const char *format, va_list argPtr) { static size_t buf_size = 256; static char *buffer = new char[buf_size]; size_t length; while (1) { if (!buffer) { h2x_assert(buffer); // to stop when debugging throw string("out of memory"); } length = vsnprintf(buffer, buf_size, format, argPtr); if (length < buf_size) break; // string fits into current buffer // otherwise resize buffer : buf_size += buf_size/2; // cerr << "Reallocate vstrf-buffer to size=" << buf_size << endl; delete [] buffer; buffer = new char[buf_size]; } return string(buffer, length); } string strf(const char *format, ...) __ATTR__FORMAT(1); string strf(const char *format, ...) { va_list argPtr; va_start(argPtr, format); string result = vstrf(format, argPtr); va_end(argPtr); return result; } // -------------------------------------- // warnings // -------------------------------------- class LineAttachedMessage { string message; size_t lineno; public: LineAttachedMessage(const string& message_, size_t lineno_) : message(message_) , lineno(lineno_) {} const string& Message() const { return message; } size_t Lineno() const { return lineno; } }; static list warnings; inline LineAttachedMessage make_warning(const string& warning, size_t lineno) { return LineAttachedMessage(string("Warning: ")+warning, lineno); } inline void add_warning(const string& warning, size_t lineno) { warnings.push_back(make_warning(warning, lineno)); } inline void preadd_warning(const string& warning, size_t lineno) { LineAttachedMessage line_message = make_warning(warning, lineno); if (warnings.size() < 2) { warnings.push_front(line_message); } else { LineAttachedMessage prev_message = warnings.back(); warnings.pop_back(); warnings.push_back(line_message); warnings.push_back(prev_message); } } // ---------------------- // class Reader // ---------------------- class Reader { private: istream& in; char lineBuffer[MAX_LINE_LENGTH]; char lineBuffer2[MAX_LINE_LENGTH]; bool readAgain; bool eof; int lineNo; void getline() { if (!eof) { if (in.eof()) eof = true; else { h2x_assert(in.good()); in.getline(lineBuffer, MAX_LINE_LENGTH); lineNo++; if (in.eof()) eof = true; else if (in.fail()) throw "line too long"; if (strchr(lineBuffer, '\t')) { int o2 = 0; for (int o = 0; lineBuffer[o]; ++o) { if (lineBuffer[o] == '\t') { int spaces = TABSIZE - (o2 % TABSIZE); while (spaces--) lineBuffer2[o2++] = ' '; } else { lineBuffer2[o2++] = lineBuffer[o]; } } lineBuffer2[o2] = 0; strcpy(lineBuffer, lineBuffer2); } } } } public: Reader(istream& in_) : in(in_) , readAgain(true) , eof(false), lineNo(0) { getline(); } virtual ~Reader() {} const char *getNext() { if (readAgain) readAgain = false; else getline(); return eof ? 0 : lineBuffer; } void back() { h2x_assert(!readAgain); readAgain = true; } int getLineNo() const { return lineNo; } }; typedef list Strings; // typedef list Section; class Section { Strings content; size_t start_lineno; public: Section(size_t start_lineno_) : start_lineno(start_lineno_) {} const Strings& Content() const { return content; } Strings& Content() { return content; } size_t StartLineno() const { return start_lineno; } void set_StartLineno(size_t start_lineno_) { start_lineno = start_lineno_; } }; #if defined(WARN_TODO) void check_TODO(const char *line, Reader& reader) { if (strstr(line, "@@@") != NULL || strstr(line, "TODO") != NULL) { string warn = strf("TODO: %s", line); add_warning(warn.c_str(), reader.getLineNo()); } } #endif // WARN_TODO // --------------------------- // class NamedSection // --------------------------- class NamedSection { private: string name; Section section; public: NamedSection(const string& name_, const Section& section_) : name(name_) , section(section_) {} virtual ~NamedSection() {} const Section& getSection() const { return section; } const string& getName() const { return name; } }; typedef list NamedSections; class Link { string target; size_t source_lineno; public: Link(const string& target_, size_t source_lineno_) : target(target_) , source_lineno(source_lineno_) {} const string& Target() const { return target; } size_t SourceLineno() const { return source_lineno; } }; typedef list Links; // ----------------------- // class Helpfile // ----------------------- class Helpfile { private: Links uplinks; Links references; Links auto_references; Section title; NamedSections sections; string inputfile; public: Helpfile() : title(-1U) {} virtual ~Helpfile() {} void readHelp(istream& in, const string& filename); void writeXML(FILE *out, const string& page_name); void extractInternalLinks(); const Section& get_title() const { return title; } }; inline bool isWhite(char c) { return c == ' '; } #if defined(DUMP_DATA) static void display(const Strings& strings, const string& title, FILE *out) { fprintf(out, " %s:\n", title.c_str()); for (Strings::const_iterator s = strings.begin(); s != strings.end(); ++s) { fprintf(out, " '%s'\n", s->c_str()); } } static void display(const Sections& sections, const string& title, FILE *out) { fprintf(out, "%s:\n", title.c_str()); for (Sections::const_iterator s = sections.begin(); s != sections.end(); ++s) { display(s->second, s->first, out); } } #endif // DUMP_DATA inline bool isEmptyOrComment(const char *s) { if (s[0] == '#') return true; for (int off = 0; ; ++off) { if (s[off] == 0) return true; if (!isWhite(s[off])) break; } return false; } inline const char *extractKeyword(const char *line, string& keyword) { // returns NULL if no keyword was found // otherwise returns position behind keyword and sets value of 'keyword' const char *space = strchr(line, ' '); if (space && space>line) { keyword = string(line, 0, space-line); return space; } else if (!space) { // test for keyword w/o content behind if (line[0]) { // not empty keyword = line; // cout << "keyword='" << keyword << "'\n"; return strchr(line, 0); } } return 0; } inline const char *eatWhite(const char *line) { // skips whitespace while (isWhite(*line)) ++line; return line; } inline void pushParagraph(Section& sec, string& paragraph) { if (paragraph.length()) { sec.Content().push_back(paragraph); paragraph = ""; } } inline const char *firstChar(const char *s) { while (isWhite(s[0])) ++s; return s; } static void parseSection(Section& sec, const char *line, int indentation, Reader& reader) { string paragraph = line; int lines_in_paragraph = 1; if (sec.StartLineno() == -1U) { sec.set_StartLineno(reader.getLineNo()); } while (1) { line = reader.getNext(); if (!line) break; if (isEmptyOrComment(line)) { pushParagraph(sec, paragraph); lines_in_paragraph = 0; } else { string keyword; const char *rest = extractKeyword(line, keyword); if (rest) { // a new keyword reader.back(); break; } string Line = line; const char *first = firstChar(line); if (first[0] == '-') { pushParagraph(sec, paragraph); lines_in_paragraph = 0; Line[first-line] = ' '; } if (paragraph.length()) { paragraph = paragraph+"\n"+Line; } else { paragraph = string("\n")+Line; } lines_in_paragraph++; } } pushParagraph(sec, paragraph); if (sec.Content().size()>0 && indentation>0) { string spaces; spaces.reserve(indentation); spaces.append(indentation, ' '); Strings::iterator p = sec.Content().begin(); *p = string("\n")+spaces+*p; // advance(p, sec.size()-1); // *p = *p+string("\n"); } } string cutoff_hlp_extension(const string& s) __ATTR__DEPRECATED; inline string cutoff_hlp_extension(const string& s) { // cuts off the '.hlp' size_t pos = s.find(".hlp"); if ((pos+4) == s.length()) { return string(s, 0, s.length()-4); } pos = s.find(".ps"); if ((pos+3) == s.length()) { return s; // accept .ps } pos = s.find(".pdf"); if ((pos+4) == s.length()) { return s; // accept .pdf } throw string("Expected extension .hlp, .ps or .pdf"); } inline void check_duplicates(const string& link, const char */*where*/, const Links& existing, bool add_warnings) { for (Links::const_iterator ex = existing.begin(); ex != existing.end(); ++ex) { if (ex->Target() == link) { if (add_warnings) add_warning(strf("First Link to '%s' was found here.", ex->Target().c_str()), ex->SourceLineno()); throw strf("Link to '%s' duplicated here.", link.c_str()); } } } inline void check_duplicates(const string& link, const Links& uplinks, const Links& references, bool add_warnings) { check_duplicates(link, "UP", uplinks, add_warnings); check_duplicates(link, "SUB", references, add_warnings); } void Helpfile::readHelp(istream& in, const string& filename) { Reader read(in); inputfile = filename; // remember file read (for comment) const char *line; const char *name_only = strrchr(filename.c_str(), '/'); h2x_assert(name_only); ++name_only; try { while (1) { line = read.getNext(); if (!line) break; if (isEmptyOrComment(line)) { continue; } #if defined(WARN_TODO) check_TODO(line, read); #endif // WARN_TODO string keyword; const char *rest = extractKeyword(line, keyword); if (rest) { // found a keyword if (keyword == "UP") { rest = eatWhite(rest); if (strlen(rest)) { check_duplicates(rest, uplinks, references, true); if (strcmp(name_only, rest) == 0) throw "UP link to self"; uplinks.push_back(Link(rest, read.getLineNo())); } } else if (keyword == "SUB") { rest = eatWhite(rest); if (strlen(rest)) { check_duplicates(rest, uplinks, references, true); if (strcmp(name_only, rest) == 0) throw "SUB link to self"; references.push_back(Link(rest, read.getLineNo())); } } else if (keyword == "TITLE") { rest = eatWhite(rest); // parseSection(title, rest, rest-line, read); parseSection(title, rest, 0, read); if (title.Content().empty()) throw "empty TITLE not allowed"; const char *t = title.Content().front().c_str(); if (strstr(t, "Standard help file form") != 0) { throw strf("Illegal title for help file: '%s'", t); } } else { if (keyword == "NOTE") keyword = "NOTES"; if (keyword == "EXAMPLE") keyword = "EXAMPLES"; if (keyword == "WARNING") keyword = "WARNINGS"; int idx; for (idx = 0; knownSections[idx]; ++idx) { if (knownSections[idx] == keyword) { break; } } if (knownSections[idx]) { if (keyword == "SECTION") { string section_name = eatWhite(rest); Section sec(read.getLineNo()); parseSection(sec, "", 0, read); sections.push_back(NamedSection(section_name, sec)); } else { Section sec(read.getLineNo()); rest = eatWhite(rest); parseSection(sec, rest, rest-line, read); sections.push_back(NamedSection(keyword, sec)); } } else { throw strf("unknown keyword '%s'", keyword.c_str()); } } } else { throw strf("Unhandled line"); } } } catch (string& err) { throw LineAttachedMessage(err, read.getLineNo()); } catch (const char *err) { throw LineAttachedMessage(err, read.getLineNo()); } // catch (string& err) { throw strf("%s:%i: %s", filename.c_str(), read.getLineNo(), err.c_str()); } // catch (const char *err) { throw strf("%s:%i: %s", filename.c_str(), read.getLineNo(), err); } } static bool shouldReflow(const string& s, int& foundIndentation) { // foundIndentation is only valid if shouldReflow() returns true enum { START, CHAR, SPACE, MULTIPLE, DOT, DOTSPACE } state = START; bool equal_indent = true; int lastIndent = -1; int thisIndent = 0; for (string::const_iterator c = s.begin(); c != s.end(); ++c, ++thisIndent) { if (*c == '\n') { state = START; thisIndent = 0; } else if (isWhite(*c)) { if (state == DOT || state == DOTSPACE) state = DOTSPACE; // multiple spaces after DOT are allowed else if (state == SPACE) state = MULTIPLE; // now seen multiple spaces else if (state == CHAR) state = SPACE; // now seen 1 space } else { if (state == MULTIPLE) return false; // character after multiple spaces if (state == START) { if (lastIndent == -1) lastIndent = thisIndent; else if (lastIndent != thisIndent) equal_indent = false; } if (*c == '.' || *c == ',') state = DOT; else state = CHAR; } } if (equal_indent) { foundIndentation = lastIndent-1; h2x_assert(lastIndent >= 0); } return equal_indent; } static bool startsWithNumber(string& s, long long &number, bool do_erase = true) { // tests if first line starts with 'number.' // if true then the number is removed size_t off = s.find_first_not_of(" \n"); if (off == string::npos) return false; if (!isdigit(s[off])) return false; size_t num_start = off; number = 0; for (; isdigit(s[off]); ++off) { number = number*10 + (s[off]-'0'); } if (s[off] != '.') return false; if (s[off+1] != ' ') return false; if (do_erase) { // remove 'number.' from string : for (size_t erase = num_start; erase <= off; ++erase) { s[erase] = ' '; } } return true; } static int get_first_indentation(const string& s) { // returns the indentation of the first line containing other than spaces size_t text_start = s.find_first_not_of(" \n"); size_t prev_lineend = s.find_last_of('\n', text_start); if (prev_lineend == string::npos) return text_start; return text_start-prev_lineend-1; } static string correctSpaces(const string& text, int change) { h2x_assert(text.find('\n') == string::npos); if (!change) return text; size_t first = text.find_first_not_of(' '); if (first == string::npos) return ""; // empty line if (change<0) { int remove = -change; h2x_assert(remove <= int(first)); return text.substr(remove); } h2x_assert(change>0); // add spaces return string(change, ' ')+text; } static string correctIndentation(const string& text, int change) { // removes 'remove' spaces from evry line size_t this_lineend = text.find('\n'); string result; if (this_lineend == string::npos) { result = correctSpaces(text, change); } else { result = correctSpaces(text.substr(0, this_lineend), change); while (this_lineend != string::npos) { size_t next_lineend = text.find('\n', this_lineend+1); if (next_lineend == string::npos) { // last line result = result+"\n"+correctSpaces(text.substr(this_lineend+1), change); } else { result = result+"\n"+correctSpaces(text.substr(this_lineend+1, next_lineend-this_lineend-1), change); } this_lineend = next_lineend; } } return result; } inline size_t countSpaces(const string& text) { size_t first = text.find_first_not_of(' '); if (first == string::npos) return INT_MAX; // empty line return first; } static size_t scanMinIndentation(const string& text) { size_t this_lineend = text.find('\n'); size_t min_indent = INT_MAX; if (this_lineend == string::npos) { min_indent = countSpaces(text); } else { while (this_lineend != string::npos) { size_t next_lineend = text.find('\n', this_lineend+1); if (next_lineend == string::npos) { min_indent = min(min_indent, countSpaces(text.substr(this_lineend+1))); } else { min_indent = min(min_indent, countSpaces(text.substr(this_lineend+1, next_lineend-this_lineend-1))); } this_lineend = next_lineend; } } if (min_indent == INT_MAX) min_indent = 0; // only empty lines return min_indent; } // ---------------------------- // class ParagraphTree // ---------------------------- class ParagraphTree { private: ParagraphTree *brother; // has same indentation as this ParagraphTree *son; // indentation + 1 bool is_enumerated; // 1., 2., usw. long long enumeration; // the value of the enumeration (undefined if !is_enumerated) bool reflow; // should the paragraph be reflown ? (true if indentation is equal for all lines of text) int indentation; // the real indentation of the black (after enumeration was removed) string text; // text of the Section (containing linefeeds) size_t lineNo; // line number where Paragraph starts ParagraphTree(Strings::const_iterator begin, const Strings::const_iterator end, size_t beginLineNo) { h2x_assert(begin != end); text = *begin; son = 0; enumeration = 0; is_enumerated = startsWithNumber(text, enumeration); lineNo = beginLineNo; if (is_enumerated) { size_t text_start = text.find_first_not_of(" \n"); size_t next_linestart = text.find('\n', text_start); if (next_linestart != string::npos) { // more than one line -> set indent of 1st line to indent of 2nd line : ++next_linestart; // point behind \n size_t ind = get_first_indentation(text.substr(next_linestart)); text = string("\n")+string(ind, ' ') + text.substr(text_start); } } indentation = 0; reflow = shouldReflow(text, indentation); if (!reflow) { size_t reststart = text.find('\n', 1); if (reststart != string::npos) { int rest_indent; string rest = text.substr(reststart); bool rest_reflow = shouldReflow(rest, rest_indent); if (rest_reflow) { int first_indent = countSpaces(text.substr(1)); size_t last = text.find_last_not_of(' ', reststart-1); bool is_header = last != string::npos && text[last] == ':'; if (!is_header && rest_indent == (first_indent+8)) { #if defined(DEBUG) size_t textstart = text.find_first_not_of(" \n"); h2x_assert(textstart != string::npos); #endif // DEBUG // text = string("\n")+string(rest_indent, ' ') // + text.substr(textstart, reststart-textstart)+rest; text = text.substr(0, reststart)+correctIndentation(rest, -8); reflow = shouldReflow(text, indentation); } // else { // char buffer[100]; // sprintf(buffer, "rest_indent=%i first_indent=%i ", rest_indent, first_indent); // text = string("\n")+string(first_indent, ' ')+buffer+text; // } } } } if (!reflow) { indentation = scanMinIndentation(text); } text = correctIndentation(text, -indentation); brother = buildParagraphTree(++begin, end, beginLineNo); } public: virtual ~ParagraphTree() { delete brother; delete son; } size_t countTextNodes() { size_t nodes = 1; // this if (son) nodes += son->countTextNodes(); if (brother) nodes += brother->countTextNodes(); return nodes; } void dump(ostream& out) { out << "text='" << text << "'\n"; out << "is_enumerated='" << is_enumerated << "'"; out << "enumeration='" << enumeration << "'"; out << "reflow='" << reflow << "'"; out << "indentation='" << indentation << "'\n"; if (brother) { cout << "\nbrother:\n"; brother->dump(out); cout << "\n"; } if (son) { cout << "\nson:\n"; son->dump(out); cout << "\n"; } } static ParagraphTree* buildParagraphTree(Strings::const_iterator begin, const Strings::const_iterator end, size_t beginLineNo) { if (begin == end) return 0; return new ParagraphTree(begin, end, beginLineNo); } static ParagraphTree* buildParagraphTree(const NamedSection& N) { ParagraphTree *ptree = 0; const Strings& S = N.getSection().Content(); if (S.empty()) throw string("Tried to build an empty ParagraphTree (Section=")+N.getName()+")"; else ptree = buildParagraphTree(S.begin(), S.end(), N.getSection().StartLineno()); return ptree; } bool contains(ParagraphTree *that) { return this == that || (son && son->contains(that)) || (brother && brother->contains(that)); } ParagraphTree *predeccessor(ParagraphTree *before_this) { if (brother == before_this) return this; if (!brother) return 0; return brother->predeccessor(before_this); } void append(ParagraphTree *new_brother) { if (!brother) brother = new_brother; else brother->append(new_brother); } ParagraphTree* removeTill(ParagraphTree *after) { ParagraphTree *removed = this; ParagraphTree *after_pred = this; while (1) { h2x_assert(after_pred); h2x_assert(after_pred->brother); // removeTill called with non-existing 'after' if (after_pred->brother == after) { // found after after_pred->brother = 0; // unlink break; } after_pred = after_pred->brother; } return removed; } ParagraphTree *firstEnumerated() { if (is_enumerated) return this; if (brother) return brother->firstEnumerated(); return 0; } ParagraphTree *nextEnumerated() { h2x_assert(is_enumerated); if (brother) { ParagraphTree *next = brother->firstEnumerated(); if (next && next->enumeration == (enumeration+1)) { return next; } } return 0; } ParagraphTree* firstWithSameOrLowerIndent(int wanted_indentation) { if (indentation <= wanted_indentation) return this; if (!brother) return 0; return brother->firstWithSameOrLowerIndent(wanted_indentation); } ParagraphTree* format_indentations(); ParagraphTree* format_enums(); private: static ParagraphTree* buildNewParagraph(const string& Text, size_t beginLineNo) { Strings S; S.push_back(Text); return new ParagraphTree(S.begin(), S.end(), beginLineNo); } ParagraphTree *extractEmbeddedEnum(int lookfor) { size_t this_lineend = text.find('\n'); while (this_lineend != string::npos) { long long number; string embedded = text.substr(this_lineend); if (startsWithNumber(embedded, number, false)) { if (number == lookfor) { text.erase(this_lineend); return buildNewParagraph(embedded, lineNo); } break; } this_lineend = text.find('\n', this_lineend+1); } return 0; } public: static size_t embeddedCounter; void xml_write(bool ignore_enumerated = false, bool write_as_entry = false); }; size_t ParagraphTree::embeddedCounter = 0; ParagraphTree* ParagraphTree::format_enums() { // reformats tree such that all enums are brothers ParagraphTree *enum_this = firstEnumerated(); if (enum_this) { // we have enumeration ParagraphTree *before_enum = predeccessor(enum_this); if (before_enum) { h2x_assert(before_enum->son == 0); before_enum->son = before_enum->brother; before_enum->brother = 0; } for (ParagraphTree *enum_next = enum_this->nextEnumerated(); enum_next; enum_this = enum_next, enum_next = enum_this->nextEnumerated()) { if (enum_next != enum_this->brother) { h2x_assert(enum_this->son == 0); enum_this->son = enum_this->brother->removeTill(enum_next); enum_this->brother = enum_next; } } // enum_this is the last enumeration h2x_assert(!enum_this->son); if (enum_this->brother) { // there are more sections behind enum ParagraphTree *after_enum = enum_this->firstWithSameOrLowerIndent(enum_this->indentation-1); if (after_enum) { // indent should go back after enum h2x_assert(!enum_this->son); if (after_enum != enum_this->brother) { enum_this->son = enum_this->brother->removeTill(after_enum); } enum_this->brother = 0; h2x_assert(before_enum); h2x_assert(before_enum->brother == 0); before_enum->brother = after_enum->format_enums(); } else { // nothing after enum -> take all as children h2x_assert(enum_this->son == 0); enum_this->son = enum_this->brother; enum_this->brother = 0; } if (enum_this->son) enum_this->son = enum_this->son->format_enums(); } else { if (before_enum) { if (before_enum->son) before_enum->son->append(before_enum->brother); before_enum->brother = 0; } } if (enum_this->enumeration == 1) { // oops - only '1.' search for enum inside block ParagraphTree *lookin = enum_this; int lookfor; for ( lookfor = 2; ; ++lookfor) { ParagraphTree *next_enum = lookin->extractEmbeddedEnum(lookfor); if (!next_enum) break; embeddedCounter++; next_enum->brother = lookin->brother; lookin->brother = next_enum; lookin = next_enum; } } return this; } // no enumerations found return this; } ParagraphTree* ParagraphTree::format_indentations() { if (brother) { if (is_enumerated) { if (brother) brother = brother->format_indentations(); if (son) son = son->format_indentations(); } else { ParagraphTree *same_indent = brother->firstWithSameOrLowerIndent(indentation); if (same_indent) { if (same_indent == brother) { brother = brother->format_indentations(); if(son) son = son->format_indentations(); } else { ParagraphTree *children = brother->removeTill(same_indent); brother = same_indent->format_indentations(); h2x_assert(!son); son = children->format_indentations(); } } else { // none with same indent h2x_assert(!son); son = brother->format_indentations(); brother = 0; } } } else { // no brother if (son) son = son->format_indentations(); } return this; } // ----------------- // LinkType enum LinkType { LT_UNKNOWN = 0, LT_HTTP = 1, LT_FTP = 2, LT_FILE = 4, LT_EMAIL = 8, LT_HLP = 16, LT_PS = 32, LT_PDF = 64 }; const char *link_id[] = { "unknown", "www", "www", "www", "email", "hlp", "ps", "pdf", }; static string LinkType2id(LinkType type) { int idx = 0; while (type >= 1) { idx++; type = LinkType(type>>1); } return link_id[idx]; } inline const char *getExtension(const string& name) { size_t last_dot = name.find_last_of('.'); if (last_dot == string::npos) { return NULL; } return name.c_str()+last_dot+1; } static LinkType detectLinkType(const string& link_target) { LinkType type = LT_UNKNOWN; const char *ext = getExtension(link_target); if (ext && strcasecmp(ext, "hlp") == 0) type = LT_HLP; else if (link_target.find("http://") == 0) type = LT_HTTP; else if (link_target.find("ftp://") == 0) type = LT_FTP; else if (link_target.find("file://") == 0) type = LT_FILE; else if (link_target.find('@') != string::npos) type = LT_EMAIL; else if (ext && strcasecmp(ext, "ps") == 0) type = LT_PS; else if (ext && strcasecmp(ext, "pdf") == 0) type = LT_PDF; return type; } // -------------------------------------------------------------------------------- static string locate_helpfile(const string& helpname) { // search for 'helpname' in various helpfile locations #define PATHS 2 static string path[PATHS] = { "oldhelp/", "genhelp/" }; struct stat st; for (size_t p = 0; pindentation_per_level); } else { usedText = text; } print_XML_Text_expanding_links(usedText, lineNo); } } if (son) { if (!son->is_enumerated && son->brother) { XML_Tag sontag("LIST"); son->xml_write(false, true); } else { son->xml_write(false); } } } if (brother) brother->xml_write(ignore_enumerated, write_as_entry); } } static void create_top_links(const Links& links, const char *tag) { for (Links::const_iterator s = links.begin(); s != links.end(); ++s) { XML_Tag link(tag); add_link_attributes(link, detectLinkType(s->Target()), s->Target(), s->SourceLineno()); } } void Helpfile::writeXML(FILE *out, const string& page_name) { #if defined(DUMP_DATA) display(uplinks, "Uplinks", stdout); display(references, "References", stdout); display(auto_references, "Auto-References", stdout); display(title, "Title", stdout); display(sections, "Sections", stdout); #endif // DUMP_DATA XML_Document xml("PAGE", "arb_help.dtd", out); xml.skip_empty_tags = true; xml.indentation_per_level = 2; xml.getRoot().add_attribute("name", page_name); #if defined(DEBUG) xml.getRoot().add_attribute("edit_warning", "devel"); // inserts a edit warning into development version #else xml.getRoot().add_attribute("edit_warning", "release"); // inserts a different edit warning into release version #endif // DEBUG { XML_Comment(string("automatically generated from ../")+inputfile+' '); } create_top_links(uplinks, "UP"); create_top_links(references, "SUB"); create_top_links(auto_references, "SUB"); { XML_Tag title_tag("TITLE"); Strings& T = title.Content(); for (Strings::const_iterator s = T.begin(); s != T.end(); ++s) { if (s != T.begin()) { XML_Text text("\n"); } XML_Text text(*s); } } for (NamedSections::const_iterator named_sec = sections.begin(); named_sec != sections.end(); ++named_sec) { XML_Tag section_tag("SECTION"); section_tag.add_attribute("name", named_sec->getName()); ParagraphTree *ptree = ParagraphTree::buildParagraphTree(*named_sec); ParagraphTree::embeddedCounter = 0; #if defined(DEBUG) size_t textnodes = ptree->countTextNodes(); #endif // DEBUG ptree = ptree->format_enums(); #if defined(DEBUG) size_t textnodes2 = ptree->countTextNodes(); h2x_assert(textnodes2 == (textnodes+ParagraphTree::embeddedCounter)); // if this occurs format_enums has an error #endif // DEBUG ptree = ptree->format_indentations(); #if defined(DEBUG) size_t textnodes3 = ptree->countTextNodes(); h2x_assert(textnodes3 == textnodes2); // if this occurs format_indentations has an error #endif // DEBUG ptree->xml_write(); delete ptree; } } void Helpfile::extractInternalLinks() { for (NamedSections::const_iterator named_sec = sections.begin(); named_sec != sections.end(); ++named_sec) { const Section& sec = named_sec->getSection(); try { const Strings& s = sec.Content(); for (Strings::const_iterator li = s.begin(); li != s.end(); ++li) { const string& line = *li; size_t start = 0; while (1) { size_t found = line.find("LINK{", start); if (found == string::npos) break; found += 5; size_t close = line.find('}', found); if (close == string::npos) break; string link_target = line.substr(found, close-found); if (link_target.find("http://") == string::npos && link_target.find("ftp://") == string::npos && link_target.find("file://") == string::npos && link_target.find('@') == string::npos) { // string rest_noext = cutoff_hlp_extension(link_target); try { check_duplicates(link_target, "SUB", references, true); // check only sublinks here try { check_duplicates(link_target, "UP", uplinks, false); // check only sublinks here check_duplicates(link_target, "AUTO-SUB", auto_references, false); // check only sublinks here } catch (string& err) { ; // ignore duplicated link in text } auto_references.push_back(Link(link_target, sec.StartLineno())); } catch (string& err) { preadd_warning(strf("%s", err.c_str()), sec.StartLineno()); } } start = close+1; } } } catch (string& err) { throw LineAttachedMessage(string("'"+err+"' while scanning LINK{} in SECTION '"+named_sec->getName()+'\''), sec.StartLineno()); } } } static void show_err(const string& err, size_t lineno, const string& helpfile) { if (err.find(helpfile+':') != string::npos) { cerr << err; } else if (lineno == -1U) { cerr << helpfile << ":1: [in unknown line] " << err; } else { cerr << helpfile << ":" << lineno << ": " << err; } cerr << '\n'; } static void show_err(const LineAttachedMessage& line_err, const string& helpfile) { show_err(line_err.Message(), line_err.Lineno(), helpfile); } static void show_warnings(const string& helpfile) { for (list::const_iterator wi = warnings.begin(); wi != warnings.end(); ++wi) { show_err(*wi, helpfile); } } static void show_warnings_and_error(const LineAttachedMessage& error, const string& helpfile) { show_warnings(helpfile); show_err(error, helpfile); } static void show_warnings_and_error(const string& error, const string& helpfile) { show_warnings_and_error(LineAttachedMessage(error, -1U), helpfile); } int main(int argc, char *argv[]) { Helpfile help; string arb_help; try { if (argc != 3) { cerr << "Usage: arb_help2xml \n"; return EXIT_FAILURE; } arb_help = argv[1]; string xml_output = argv[2]; { ifstream in(arb_help.c_str()); help.readHelp(in, arb_help); } help.extractInternalLinks(); { FILE *out = std::fopen(xml_output.c_str(), "wt"); if (!out) throw string("Can't open '")+xml_output+'\''; try { // arb_help contains 'oldhelp/name.hlp' size_t slash = arb_help.find('/'); size_t dot = arb_help.find_last_of('.'); if (slash == string::npos || dot == string::npos) { throw string("parameter has to be in format 'oldhelp/name.hlp' (not '"+arb_help+"')"); } string page_name(arb_help, slash+1, dot-slash-1); help.writeXML(out, page_name); fclose(out); } catch (...) { fclose(out); remove(xml_output.c_str()); throw; } } show_warnings(arb_help); return EXIT_SUCCESS; } catch (LineAttachedMessage& err) { show_warnings_and_error(err, arb_help); } catch (string& err) { show_warnings_and_error(err, arb_help); } catch (const char * err) { show_warnings_and_error(err, arb_help); } catch (...) { show_warnings_and_error("unknown exception in arb_help2xml", arb_help); } return EXIT_FAILURE; } ./arbsrc_9167/HELP_SOURCE/arb_help.dtd0000644012664100000130000000520011460347216017221 0ustar arb_buildcoders ./arbsrc_9167/HELP_SOURCE/date.xsl.footer0000644012664100000130000000004311213220015017671 0ustar arb_buildcoders ./arbsrc_9167/HELP_SOURCE/date.xsl.header0000644012664100000130000000021311213220015017622 0ustar arb_buildcoders ./arbsrc_9167/HELP_SOURCE/generate_index.pl0000755012664100000130000000543111460347216020277 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; sub read_xml($); sub read_xml($) { my ($xml_dir) = @_; # print "xml_dir='$xml_dir'\n"; my @xml = (); my @sub = (); opendir(DIR,$xml_dir) || die "Failed to read '$xml_dir' (Reason: $!)"; foreach (readdir(DIR)) { if ($_ ne '.' and $_ ne '..') { my $full = $xml_dir.'/'.$_; if (-d $full) { push @sub, $_; } elsif (/\.xml$/o) { push @xml, $_; } } } closedir(DIR); # foreach (@sub) { print "sub='$_'\n"; } foreach my $sub (@sub) { my @subxml = read_xml($xml_dir.'/'.$sub); foreach (@subxml) { push @xml, $sub.'/'.$_; } } return @xml; } sub print_index(\@) { my ($xml_r) = @_; my $header=< ]> ARB help index
    HEADER my $footer=<
    FOOTER print $header; foreach my $xml (@$xml_r) { my $hlp = $xml; $hlp =~ s/\.xml$/\.hlp/o; my $link = ' '; print $link."\n"; } print $footer; } sub find_indexed_xmls($$) { my ($index_name,$xml_dir) = @_; my @xml = read_xml($xml_dir); @xml = sort map { if ($_ eq $index_name) { ; } # dont index the index # else { $xml_dir.'/'.$_; } # prefix with xml_dir else { $_; } # prefix with xml_dir } @xml; return @xml; } sub parse_titles($\@\%) { my ($xml_dir,$xml_r, $title_r) = @_; foreach my $name (@$xml_r) { my $xml = $xml_dir.'/'.$name; open(FILE,'<'.$xml) || die "can't read '$xml' (Reason: $!)"; my $line; LINE: while (defined($line=)) { if ($line =~ /(.*)<\/TITLE>/) { $$title_r{$name} = $1; last LINE; } } close(FILE); if (not defined $$title_r{$name}) { die "$xml:1: Failed to parse title\n "; } } } sub generate_index($$) { my ($index_name,$xml_dir) = @_; my @xml = find_indexed_xmls($index_name,$xml_dir); my %title = (); parse_titles($xml_dir,@xml,%title); @xml = sort { $title{$a} cmp $title{$b}; } @xml; print_index(@xml); # foreach (@xml) { print "xml='$_'\n"; } } sub main() { my $args = scalar(@ARGV); if ($args != 2) { die "Usage: generate_index.pl NAME_OF_INDEX.xml XMLDIRECTORY\n "; } my $index_name = $ARGV[0]; my $xml_dir = $ARGV[1]; if (not -d $xml_dir) { die "No such directory '$xml_dir'"; } generate_index($index_name,$xml_dir); } main(); ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/genhelp/agde.footer�������������������������������������������������������0000644�0126641�0000013�00000000226�11213220015�020474� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������� TITLE External tools used by ARB (doc) SECTION Documentation of external tools used by ARB is made available under the subtopics. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/genhelp/Makefile����������������������������������������������������������0000644�0126641�0000013�00000003367�11440743000�020033� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������� STD = standard.header AUTOSECTION = sed -e 's/^\([^ ]\)/SECTION \1/' AUTOTITLE = sed -e '1 s/^SECTION/TITLE/' ARBHOME=../.. GDEBASE=$(ARBHOME)/GDEHELP GDEGENDIR=$(GDEBASE)/HELP_GEN GDEWRITTENDIR=$(GDEBASE)/HELP_WRITTEN GDE_HELP=$(wildcard $(GDEGENDIR)/*.help) $(wildcard $(GDEWRITTENDIR)/*.help) GDE_HLP=$(addprefix agde_,$(subst .help,.hlp,$(notdir $(GDE_HELP)))) # -------------------------------------------------------------------------------- HLP = copyright.hlp changes.hlp agde.hlp # -------------------------------------------------------------------------------- all : $(HLP) $(GDE_HLP) $(HLP) : $(STD) Makefile $(GDE_HLP) : $(STD) Makefile %.hlp : %.header copyright.hlp : $(ARBHOME)/arb_LICENSE.txt @echo Updating $@ from $< @cp $(STD) $@ @echo "# BUILD FROM: $<" >>$@ @cat $< | $(AUTOSECTION) | $(AUTOTITLE) >> $@ changes.hlp : $(ARBHOME)/arb_CHANGES.txt @echo Updating $@ from $< @cp $(STD) $@ @echo "# BUILD FROM: $<" >>$@ @cat $< | $(AUTOSECTION) | $(AUTOTITLE) >> $@ agde_%.hlp : $(GDEGENDIR)/%.help @echo Updating $@ from $< @cp $(STD) $@ @echo "# BUILD FROM: $< (which is generated itself)" >>$@ @echo "# see $(GDEBASE)/HELP_PLAIN " >>$@ @echo "# or else see $(GDEBASE)/Makefile.helpfiles for special rules" >>$@ @echo "" >>$@ @echo "UP agde.hlp" >>$@ @cat $< | $(AUTOSECTION) | $(AUTOTITLE) >> $@ agde_%.hlp : $(GDEWRITTENDIR)/%.help @echo Updating $@ from $< @cp $(STD) $@ @echo "# BUILD FROM: $<" >>$@ @echo "" >>$@ @echo "UP agde.hlp" >>$@ @cat $< | $(AUTOSECTION) | $(AUTOTITLE) >> $@ agde.hlp: $(GDE_HLP) agde.footer @echo Updating GDE overview $@ @cp $(STD) $@ @echo "# BUILD FROM: $<" >>$@ @ls agde_*.hlp | grep -v 'agde_.*_sub'| sed -e 's/^/SUB /' >>$@ @cat agde.footer >>$@ clean: rm -f *.hlp �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/genhelp/README������������������������������������������������������������0000644�0126641�0000013�00000000374�11213220015�017240� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������� All textfiles that get converted here should fit the following criteria: - They have the title in the first line - Only a few lines start in column 1 (these will get sections in help) See $ARBHOME/GDEHELP/Makefile.helpfiles for generation process. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/genhelp/standard.header���������������������������������������������������0000644�0126641�0000013�00000000616�11213220015�021331� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: {ref.hlp:visible_text} # ********************************************************************* # # THIS is a GENERATED FILE! DO NOT EDIT! ������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/help.readme���������������������������������������������������������������0000644�0126641�0000013�00000000440�11213220015�017037� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������� Plan: - remove 'oldhelp' - edit helpfiles in 'xml' State: - Helpfiles are currently edited in 'oldhelp' - needed changes for Plan: - in ARB-Help the 'Edit'-Button should edit the .xml file (see: get_full_qualified_help_file_name() ) ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/Logo_25wht.gif������������������������������������������������������������0000644�0126641�0000013�00000003107�11213220015�017353� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������GIF89aK� �÷Ø���„�l�¹� ›� r�£�Ç�¶�©�x�'Ä�-Ï�(¹ — "s,;qt{•�1×�.Ç�(©9¸2‹:£@N{`jŠ«³Í(Fš3JHYŒv‡µ‡•¼‚‹£²¸Ê8¾E±(R·@aµYs±dÁTiŸhz¨o{š¢­È“š¬ÎØð­²¿ JÔu‘ϪâáäëXæ1bÉJwÎk“çd‡ÑkŽØ¿ÅÑâèô¶¸¼ùûÿàáãy›Ø‡¤Û‚›È›²Û²½ÑÆÎÜZ‰Öt£ñ’­Ú«½ÜµÈæÉÕé×Üä½ÎåÝáåòõøüýþÝÞßëñõúýÿåèêéíïöøùÔÛÝòööüÿÿÏÑÑùþûª´¬¦°¨�f��`�mH?‡?6^6ÆŽÃŽœÓœe~e‘¨‘ÁÜÁ‰˜‰Ÿ©ŸéöéØäØ÷ù÷ñòñîïî`¼_€ÈˆÉ…’Ëäæáÿÿùþþûúú÷ÿÿÿööôÛÛÙúúùôòèòÖdÚÊ‰ç¶ ðÄ(ðÜö¿ ð»ã²ßÜÒä¦�Œm˨@ʳp ‘eØÎ±¿¹¨³¯£ú²�Ε�»Š†h¾º°øöñ¢ptPìêæÞÜØ[�îìééäݯ¥™ù÷õ×ÕÓÇÆÅæÓÉöóòâ«›ÚÐÍäÜÚÜ´¬â{iÙÉÆÛO;éYEÐoa蔇汩ÔÖ)ËZKʼn‚èÀ»É­ª¯�ÂÉ6'¸6)¶QH²\U¯nhÒ”ðÏÌÔ �ˆ72B<‡JF×¢žÖ»¹Ç�„l~LJŒ`^Ѭ«²—–½¥¤×��Ô�¼�²��§��“�u��X��ŒhxÆ··ÙÓÓýùùêééììì������������������������������������������������������������������������������������������������������������������������!ù��Ø�,����K� ��ÿ�± H° Áƒ*\Ȱ¡Ã‡#JœH±¢Å‹3j܈Ê”&®1#ç5§¡A‚Ĉ7ŽÜ iK1nÈ`T"E’™z‚XXÐ@Mƒcºœ¹xdˆƒ´9Z0éÒŠIB|@ˆCÕ‚rº ±8$‡›T¥J5j“Á=€â*òZð *N¨aMΖ±_­}%P‡a<t\ââÂÃR´\ýr%‹,‚})R„È Eíô0ÑÁ… r`‹³E‹ÀO­n»¥‹ÖlŠ4ƒÃP±B tLÙ4}íH¨P¡NØî 9!Ð ƒN²vm%ö@\̆áÿ¯˜ ¾V1µ« «dÒ°Íñ£© ¢F°) qeàŽa®½ÂŒeÒŠ0Æ,Ôƒ4Ê*Ä$Š.ÎÄ�ˆ#‘DH#—´ADÐ ´„ÇY`C 4×¼‚Š-Ç1D ìaÐH$±wŒxÝÁJ4Óðñ#AÈ%œÔ �¡!à€-žÒÌ1¾ˆò °A9ÜP .h€ *Éc)ÑPÇ#‰ô%•!@l$D�Ùa-¶²L}™`@–6?@å(È@CEA³<ƒMø4%u@G(1…Ñ6¸ Ì£}ÿbÁÄ`PP‰M-ËôB&Ð4È„#K”É$‹ dMhŽ©]-²¡Œ2¶4ÓBQ$P€FÔC�éU 4¸ D‹¯)2É$™tÇ#uäCôWÓÌ2³x‚M.¸TÓ0À6ø�à p€ju½8c‹+µÜ‚A‹2 "™!b> � S`£Ç^€QÆÅÆDã 4Íð’ D˜´ð ¨ ĵµñË/’ ”‰"žô9PEP‚8`€u tÇYAM)^~%Ch`«@ÖX0À ZÓÄy$E镽 4ZPd»½‘ p°[gÙ$­‘�0Á @�a ×ø)ppBA(.ùä”Wnùå4�;���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/Makefile������������������������������������������������������������������0000644�0126641�0000013�00000016263�11656765614�016440� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������� .SUFFIXES: .o .c .cxx .source .hlp .xml .dtd .html .depend .ps.gz .pdf.gz # -------------------------------------------------------------------------------- TEST_ONE=0# default is 0 (if 1 only one .hlp file is processed. see below @ TEST_ONE) # -------------------------------------------------------------------------------- # directories of source/destination files: HLP_SOURCE=oldhelp HLP_GENERATED=genhelp XML_LOCATION=Xml HTML_LOCATION=../lib/help_html HLP_DEST=../lib/help HELP_INDEX_NAME = help_index # needed tools: TOOL_OBJECTS = \ arb_help2xml.o BINARIES = $(TOOL_OBJECTS:%.o=$(ARBHOME)/bin/%) QUIETLY = ./quietly.pl # using xsltproc and XMLLINT: XSLTPROC = xsltproc VALIDATE = $(QUIETLY) XMLLINT # -------------------------------------------------------------------------------- all: date generated dirs tools nonhlp_formats delzerohtml @echo --------------------------------------------------- [old hlp 2 xml] time $(MAKE) xml @echo --------------------------------------------------- [xml 2 hlp] time $(MAKE) help $(MAKE) $(HLP_DEST)/FORM.hlp @echo --------------------------------------------------- [xml 2 html] time $(MAKE) html $(HLP_DEST)/FORM.hlp: $(HLP_SOURCE)/FORM.hlp cp -p $< $@ dirs: mkdir -p $(XML_LOCATION) mkdir -p $(XML_LOCATION)/prompt mkdir -p $(HTML_LOCATION) mkdir -p $(HTML_LOCATION)/prompt mkdir -p $(HLP_DEST) mkdir -p $(HLP_DEST)/prompt @-ln -s ../arb_help.dtd $(XML_LOCATION) @-ln -s ../../arb_help.dtd $(XML_LOCATION)/prompt HELP2XML=$(ARBHOME)/bin/arb_help2xml # -------------------------------------------------------------------------------- # Generate help files in $(HLP_GENERATED): generated: @echo --------------------------------------------------- @echo ------------ Generating some help files: (cd $(HLP_GENERATED);$(MAKE) all) # -------------------------------------------------------------------------------- HELP_INDEX_XML = $(XML_LOCATION)/$(HELP_INDEX_NAME).xml #OLD_HELP= oldhelp/importift.hlp OLD_HELP_ALL= \ $(HLP_SOURCE)/arb.hlp \ $(wildcard \ $(HLP_GENERATED)/*.hlp \ $(HLP_SOURCE)/*.hlp \ $(HLP_SOURCE)/prompt/*.hlp \ ) ifeq ($(TEST_ONE),1) #OLD_HELP=$(HLP_SOURCE)/parser.hlp $(HLP_SOURCE)/commands.hlp $(HLP_SOURCE)/FAQS.hlp $(HLP_SOURCE)/acisrt.hlp #OLD_HELP=$(HLP_SOURCE)/arb.hlp $(HLP_SOURCE)/version.hlp $(HLP_SOURCE)/translate_dna_2_pro.hlp $(HLP_SOURCE)/species_join.hlp OLD_HELP=$(HLP_SOURCE)/version.hlp #OLD_HELP=$(HLP_SOURCE)/arb.hlp else OLD_HELP=$(OLD_HELP_ALL:$(HLP_SOURCE)/FORM.hlp=)# remove FORM.hlp (this is just a default file) endif XML_TMP=$(OLD_HELP:%.hlp=%.xml) XML_TMP2=$(XML_TMP:$(HLP_SOURCE)/%=$(XML_LOCATION)/%) XML=$(XML_TMP2:$(HLP_GENERATED)/%=$(XML_LOCATION)/%) XML_DEPEND=xml.stamp# xml files are rebuild if this stamp is recreated DTD=arb_help.dtd $(XML) : $(XML_DEPEND) Makefile $(QUIETLY) $(HELP_INDEX_XML): $(OLD_HELP_ALL) $(XML) ./generate_index.pl Makefile ./generate_index.pl $(HELP_INDEX_NAME).xml $(XML_LOCATION) > $(HELP_INDEX_XML) xml : $(XML) $(HELP_INDEX_XML) dump: echo $(XML) $(XML_LOCATION)/%.xml : $(HLP_SOURCE)/%.hlp $(DTD) @test \! -f $(HLP_GENERATED)/$(<F) || \ ( echo $<:1: exists twice -- only one existence allowed; \ echo $(HLP_GENERATED)/$(<F):1: other occurrence \ && false ) @$(HELP2XML) $< $@ @$(VALIDATE) $@ $(XML_LOCATION)/%.xml : $(HLP_GENERATED)/%.hlp $(DTD) @test \! -f $(HLP_SOURCE)/$(<F) || \ ( echo $<:1: exists twice -- only one existence allowed; \ echo $(HLP_SOURCE)/$(<F):1: other occurrence \ && false ) @$(HELP2XML) $< $@ @$(VALIDATE) $@ $(HTML_LOCATION)/help_index.html : $(HELP_INDEX_XML) HTML_TMP=$(XML:%.xml=%.html) HTML=$(HTML_TMP:$(XML_LOCATION)/%=$(HTML_LOCATION)/%) HELP_TMP=$(XML:%.xml=%.hlp) HELP=$(HELP_TMP:$(XML_LOCATION)/%=$(HLP_DEST)/%) # -------------------------------------------------------------------------------- PS_SRC=$(wildcard $(HLP_SOURCE)/*.ps.gz) PDF_SRC=$(wildcard $(HLP_SOURCE)/*.pdf.gz) PS_DEST=$(PS_SRC:$(HLP_SOURCE)/%=$(HLP_DEST)/%) PDF_DEST=$(PDF_SRC:$(HLP_SOURCE)/%=$(HLP_DEST)/%) ps: $(PS_DEST) pdf: $(PDF_DEST) nonhlp_formats: ps pdf $(HLP_DEST)/%.ps.gz : $(HLP_SOURCE)/%.ps.gz cp -p $< $@ $(HLP_DEST)/%.pdf.gz : $(HLP_SOURCE)/%.pdf.gz cp -p $< $@ # -------------------------------------------------------------------------------- delzerohtml: -find $(HTML_LOCATION) -name "*.html" -size -1 -exec rm {} \; date : $(MAKE) date.xsl.tmp ../SOURCE_TOOLS/mv_if_diff date.xsl.tmp date.xsl date.xsl.tmp : cat date.xsl.header >$@ bash -c "(export LC_ALL=C;date '+%d. %b %Y')" >>$@ cat date.xsl.footer >>$@ date.xsl : date # -------------------------------------------------------------------------------- STYLE_HTML=to_html.xsl STYLE_HELP=to_help.xsl # -------------------------------------------------------------------------------- XSLTPROC_ARGS=--nonet --nomkdir --stringparam xml_location "$(XML_LOCATION)" $(HELP) : $(STYLE_HELP) $(DTD) Makefile $(HLP_DEST)/%.hlp : $(XML_LOCATION)/%.xml @-rm -f $@ @$(XSLTPROC) --output $@ $(XSLTPROC_ARGS) --stringparam myname "$(subst $(XML_LOCATION)/,,$<)" $(STYLE_HELP) $< || rm $@ @test -f $@ || (echo "$<:0: did not compile to $@" && false) # -------------------------------------------------------------------------------- $(HTML) : $(STYLE_HTML) $(DTD) Makefile # Google logo google_logo: $(HTML_LOCATION)/Logo_25wht.gif $(HTML_LOCATION)/Logo_25wht.gif : Logo_25wht.gif cp -p $< $@ @test -f $@ $(HTML_LOCATION)/%.html : $(XML_LOCATION)/%.xml @-rm -f $@ @$(XSLTPROC) --output $@ $(XSLTPROC_ARGS) --stringparam myname "$(subst $(XML_LOCATION)/,,$<)" $(STYLE_HTML) $< || (rm $@ && test -f $@) @test -f $@ || (echo "$<:0: did not compile to $@" && false) # -------------------------------------------------------------------------------- html : $(HTML) google_logo $(HTML_LOCATION)/$(HELP_INDEX_NAME).html help : $(HELP) # -------------------------------------------------------------------------------- clean: rm -f $(TOOL_OBJECTS) $(BINARIES) rm -f `find $(HLP_DEST) -name "*.hlp"` rm -f `find $(HTML_LOCATION) -name "*.html"` rm -f $(XML_DEPEND) dummy _index.html rm -f `find $(XML_LOCATION) -name "*.xml"` $(MAKE) -C $(HLP_GENERATED) clean # -------------------------------------------------------------------------------- tools: $(BINARIES) LIBS=../XML/XML.a $(HELP2XML): $(LIBS) $(XML_DEPEND) : arb_help2xml.cxx touch $(XML_DEPEND) %.o: %.cxx $(CPP) $(cflags) -c $< $(CPPINCLUDES) $(POST_COMPILE) $(HELP2XML): arb_help2xml.o $(LIBS) $(LINK_EXECUTABLE) $@ $< $(LIBS) $(LIBPATH) -lARBDB DEPENDS = $(TOOL_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl arb_help2xml.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_help2xml.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_help2xml.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_help2xml.o: $(ARBHOME)/INCLUDE/attributes.h arb_help2xml.o: $(ARBHOME)/INCLUDE/xml.hxx ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/acisrt.hlp��������������������������������������������������������0000644�0126641�0000013�00000001556�11213220015�020362� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp #UP glossary.hlp UP props_nds.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB parser.hlp #SUB commands.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Predefined SRT/ACI OCCURRENCE ARB_NT/Tree/NDS/SRT DESCRIPTION Allows to choose predefined SRT or ACI (see LINK{glossary.hlp}) Choose a program from the 'List of SRT/ACI' subwindow. NOTES The syntax is displayed in the 'The program:' subwindow and synchronously within the 'ACI SRT PROGRAM' subwindow of the 'NDS' window. It can be modified in both subwindows (see LINK{parser.hlp} and LINK{commands.hlp}) EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ad_align.hlp������������������������������������������������������0000644�0126641�0000013�00000004555�11213220015�020635� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP security.hlp #Please insert subtopic references (line starts with keyword SUB) SUB insdelchar.hlp #************* Title of helpfile !! and start of real helpfile ******** TITLE Alignment Administration OCCURRENCE ARB_NT/Sequence/Admin DESCRIPTION This module allows handling and modification of 'alignments' (see LINK{glossary.hlp}). Select an alignment from the 'Alignments' subwindow Define the type of sequences (DNA, RNA, protein): Press the <Type of Sequences> button and choose from the displayed menu. Set protection: Press the <Default Write Protection> button and choose from the displayed menu. Press the respective buttons to perform further functions: DELETE: Delete an alignment and its sequence data RENAME: Rename an alignment CREATE: Create a new alignment (no data) COPY: Copy an alignment SEQ REMARK: Add a remark field to the sequence of the selected SAI CHECK LEN: Find the longest sequence and set the 'Maximum Seq. Length' displayed in the corresponding subwindow [*] FORMAT: Append '.' to sequences up to 'Maximum Seq. Length'. [*] Auto format: Whether to ask, format or skip w/o asking whenever an unformatted alignment is detected. NOTES Some functions require setting a protection level equal to or higher than that of the 'alignment'. Asterisks indicate functions which are not available with the 'ALIGNMENT CONTROL' functions of the 'MERGE TWO DATABASES' tool. There is one special alignment called "ali_genom" used for full genome sequences. You can't format that alignment because it is necessary to ensure that it's alignment positions match those used in the gene entries. For the same reason you should never ever put any gap into that alignment. EXAMPLES None WARNINGS Be careful when deleting or changing the name of an alignment while other programs are using it (eg. parsimony programs ..) BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ad_extended.hlp���������������������������������������������������0000644�0126641�0000013�00000002147�11213220015�021336� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB extended.hlp SUB security.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SAI Administration OCCURRENCE ARB_NT/SAI/Admin DESCRIPTION Select 'SAI' entry from the 'Sequence Associated Information' subwindow. This tool allows to delete, rename and copy 'SAI' (see LINK{glossary.hlp}) entries of sequence associated information. Each SAI belongs to a group of SAIs. These groups occur in ARB_EDIT4. 'SAI' entries can be converted to species entries pressing the <COPY TO SPECIES> button. The entries and descriptive information are displayed in the 'Info Box' subwindow. NOTES It may be necessary to set the protection level equal or higher than that assigned to the particular 'SAI' entry. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ae2_ift.hlp�������������������������������������������������������0000644�0126641�0000013�00000001146�11213220015�020401� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: ae2 OCCURRENCE ARB_IMPORT DESCRIPTION This format allows to read old ae2 files into arb. NOTES Uses the program 'convert_aln' written by RDP to convert to rdp format, than ARB reads it's output (ad rdp file). There is no ae2 output. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/align.hlp���������������������������������������������������������0000644�0126641�0000013�00000001212�11213220015�020154� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Align a Sequence into an Existing Alignment OCCURRENCE ARB_NT DESCRIPTION There is no such function in the arb main window. Start the old arb editor and look under the edit menu. Or better use the Fast Aligner provided in the 'Edit' menu in ARB_EDIT4. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/alignment.hlp�����������������������������������������������������0000644�0126641�0000013�00000002244�11213220015�021046� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB nt_align_select.hlp SUB ad_align.hlp SUB pfold.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What is an Alignment ? DESCRIPTION Different alignments assigned to the same species (eg. sequences of different genes) can be stored in one database. The name of the currently accessible alignment (ali_*) is shown in the 3rd broad rectangular button in the top area of the ARB_NT window. The sequences themselves are not stored in the 'ali_*' field of a species, but in the subfield 'data' of 'ali_*' 'ali_*' is a container field: it holds no data except other data fields (like a directory in a file system). NOTE There is a special alignment called 'ali_genom' which is used for full genome databases. It's called an alignment because it fits into our database structure, but it should NOT contain any gaps. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ap_stack.hlp������������������������������������������������������0000644�0126641�0000013�00000002351�11440743001�020663� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_pars.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Store Tree Topologies OCCURRENCE ARB_NT/Tree/Parsimony <Stack> button DESCRIPTION Allows to temporarily store tree topologies. Click on the <STORE> button to store the current tree. The number of stored tree topologies is shown in the 'Stack' subwindow. After performing further optimizations, any new tree topology can be added to the stack by clicking on <STORE> again. Click on the <RESTORE> button to restore stored trees. Your current tree will be discarded. NOTES The initial tree will be stored at program start-up. When you restore the last tree from the tree stack it will be stored again automatically, to support further restores. EXAMPLES None WARNINGS The trees stored in the stack are lost when you close the 'ARB PARSIMONY window'. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_commands.hlp��������������������������������������������������0000644�0126641�0000013�00000004560�11213220015�021520� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB arb_gde.hlp SUB arb_db.hlp SUB arb_envar.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real strunk ******** TITLE ARB: Basic ARB-Shell Commands OCCURRENCE shell SECTION COMMANDS 'arb [filename]' Starts the main program ARB_NT which also includes the database server. The database server is memory based. That means: - All changes are only temporary until the database is saved. - The database is a single file which can be copied, deleted, renamed ... The database file should have the suffix '.arb'. 'arb_clean' Stops all your ARB processes and removes all temporary files in the /tmp directory. It does not kill non-arb processes. That means if you start programs via the GDE interface you have to stop them yourself: (phylip, desoete, ...) enter 'ps -ux' or 'ps -f' search the process-id PID and kill it with 'kill -9 PID' 'arb_panic' Sends a signal (HANGUP) to ARB_NT to force saving the database in ASCII mode. Because arb_panic bypasses any running operation of ARB_NT, THE SAVED DATABASE MAY CONTAIN INCONSISTENT DATA. It interactively asked for file name and whether it should kill arb after saving. 'arb_2_ascii filename [dest_filename]' Converts any ARB database to ASCII format. Also tries to recover corrupt files (if dest_filename is skipped). Backup first!!! ´arb_2_bin [-m] [-r] [-c][tree_xxx] database [newdatabase]´ Purpose: Converts a database to binary format Options: -m create map file too -r try to repair destroyed database -c[tree_xxx] optimize database using tree_xxx or largest tree NOTES It is very useful to start a performance meter to see whether there are running background jobs (fastdnaml, phylip...) All arb_... commands show some basic usage info if you call them with parameter '--help' i.e. arb_ntree --help WARNINGS Don't destroy an existing arb file with arb_panic. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_db.hlp��������������������������������������������������������0000644�0126641�0000013�00000017600�11440743001�020312� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB: Database OCCURRENCE ARB_NT DESCRIPTION A central database of sequences and additional information (taken from public databases or supplied by the user) is stored in a binary or ASCII file (*.arb). ( and in future releases archive and delta files). The database reader auto-detects binary or ASCII mode. Brief advantages of the different file types: binary with fast load file: (+) very fast (+) runs on slow and old computers (-) needs a lot of harddisc space => for normal operation on old machines binary: (+) very fast (+) small (compression rate: 60%-95%) => for normal operation ASCII: (+) editable by standard text editors (+) information can be extracted by hand (-) needs an extreme amount of harddisc space => to check and correct a database All ARB tools for database handling and most of the ARB tools for data analysis act directly upon the database. The database is kept consistent at any time. Any local modifications by individual ARB tools are immediately exported to the database and all other active tools. NOTES ASCII format DATA FORMAT [xxx] means xxx is optional [xxx]* means xxx is optional and can occur many times xxx|yyy means xxx or yyy // means comment ARBDB HIERARCHY ARB DB is a hierarchical data base system, so here's a short description of the hierarchy: ARBDB ::= species_data // container containing all species presets // global alignment and db field information [extended_data] // all SAIs [tmp] // temporary data [tree_data] // all trees ... // user defined entries (programmers) species_data::= [species]* extended_data::= [extended]* gene_data::= [gene]* // container for genes (species local) species::= 'name' // species identifier ['full_name'] ... // (end) user defined fields [ali_xxx] // the alignment container(s) [gene_data] // container containing genes extended::= // analogous to species gene::= // analogous to species ali_xxx::= 'data' // the sequence ... // additional sequence information presets::= 'use' // default alignment [alignment]* [key_data] // description of the user defined keys alignment::= 'alignment_name' // name of the alignment (prefix 'ali_') 'alignment_len' // length of longest sequence 'alignment_write_security' // default write security 'alignment_type' // dna or pro 'aligned' // ==1 when all sequences have the same // length else 0 key_data::= [key]* key::= 'key_name' // name of an user defined field 'key_type' // type (12=string 3=int) ******************************************* *************** ASCII BASIC ************** ******************************************* Note: - /* xxx */ is used for comments and not read - I use a grammar to describe the dataformat. All terminal symbols are surrounded by "'". ASCII::= ['/*ARBDB ASCII*/'] [FIELD]* FIELD::= KEY [PROTECTION] [TYPE] VALUE | KEY [PROTECTION] '%%' (% [FIELD]* %) /* Comment */ KEY::= 'Any string of a-z|A-Z|0-9|"_"' |KEY| > 2 < 256 PROTECTION::= ':''delete protection level''write p.l.''00' // 00 are reserved for future use TYPE::= '%s' // STRING '%i' // INTEGER '%f' // FLOAT '%N' // BYTES '%I' // BITS '%F' // FLOATS VALUE::= '"string"' | '"^Astring^A"' | 'string' //type = STRING | 'int_number' //type = INT | 'real_number' //type = FLOAT | 'coded bytestring' //type = BYTES,FLOATS, // BITS EXAMPLES None ******************************************* ************** ASCII EXAMPLE ************* ******************************************* /*ARBDB ASCII*/ species_data %% (% species :5000 %% (% name :7600 "EscCol10" file "ecrna3.empro" full_name "Escherichia coli" acc "V00331;" ali_23all :5000 %% (% data :7500 "...........ACGTUUU........... mark %I "---------------++++--------- %) /*ali_23all*/ species :5000 %% (% name :7600 "EscCol11" file "ecrr23s.empro" full_name "Escherichia coli" ali_23all :5000 %% (% data :7500 "...........ACGTUUUGGG....... mark %I "---------------++++--------- %) /*ali_23all*/ %) /*species*/ %) /*species_data*/ presets %% (% use "ali_23all" max_alignment_len %i 2000 alignment_len %i 0 max_name_len %i 9 alignment %% (% alignment_name "ali_23all" alignment_len %i 4205 aligned %i 1 alignment_write_security %i 5 alignment_type "rna" %) /*alignment*/ key_data %% (% key %% (% key_name "name" key_type %i 12 %) /*key*/ key %% (% key_name "group_name" key_type %i 12 %) /*key*/ key %% (% key_name "acc" key_type %i 12 %) /*key*/ key %% (% key_name "ali_23all/data" key_type %i 12 %) /*key*/ key %% (% key_name "ali_23all/mark" key_type %i 6 %) /*key*/ key %% (% key_name "aligned" key_type %i 12 %) /*key*/ key %% (% key_name "author" key_type %i 12 %) /*key*/ %) /*key_data*/ %) /*presets*/ tree_data %% (% tree_main :4400 %% (% nnodes %i 2 tree "N0.014808,0.015168;N0.000360,0.000360;LEscCol10^ALEscColi^ALEscCol11^A" ruler %% (% size %f 0.100000 RADIAL %% (% ruler_y %f 0.341577 ruler_x %f 0.000000 %) /*RADIAL*/ text_x %f 0.000000 text_y %f 0.000000 ruler_width %i 0 LIST %% (% ruler_y %f 0.000000 ruler_x %f 0.000000 %) /*LIST*/ %) /*ruler*/ %) /*tree_main*/ %) /*tree_data*/ extended_data :7000 %% (% extended %% (% name "HELIX_PAIRS" ali_23all %% (% data "............................1a.. %) /*ali_23all*/ %) /*extended*/ extended %% (% name "gpl5rr" ali_23all %% (% phyl_options %N 10000106D02:0C03.0D02-07.87.DB6 bits %I "-----------------------+++++++++-+-+++ floats %F 10000106D04:0A.C816.425C03.5D.802F.BF03 %) /*ali_23all*/ %) /*extended*/ %) /*extended_data*/ tmp %% (% focus %% (% species_name "EscColi" cursor_position %i 323 %) /*focus*/ message "" %) /*tmp*/ WARNINGS The ASCII version of arb needs a lot of virtual memory when loaded. ��������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_edit4.hlp�����������������������������������������������������0000644�0126641�0000013�00000003173�11440743001�020736� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB man_arb_edit4.hlp SUB e4.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE How to start ARB_EDIT4 OCCURRENCE ARB_NT/Sequence/Edit (marked) sequences ... ARB_NT<3rd small rectangular button in top area> DESCRIPTION The ARB-editor SECTION How to start ARB_EDIT4? Default: to load marked sequences and all SAI's as they are arranged and grouped in the tree visualized in the ARB_NT main window 1. press the editor button in the upper panel (below Etc and ali_*) 2. select "Edit Marked Sequences Using Selected Species and Tree" from the 'Sequence' menu Alternatively: to load marked, all SAI's as well as sequences from a number of closest relatives as they are arranged and grouped in the tree visualized in the ARB_NT main window select "Edit Marked Sequences (plus sequences aside ...." from the 'Sequence' menu (you will be asked for a number of closest relatives). Advanced: to load an earlier configuration (selection, arrangement and grouping of sequences and SAI's independently from marking) select "Edit Sequences Using Earlier Selection" from the 'Sequence' menu. Select a configuration from the list in the 'SELECT A CONFIGURATION' window, press the start button. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_edit.hlp������������������������������������������������������0000644�0126641�0000013�00000012166�11440743001�020654� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP alignment.hlp UP security.hlp UP helix.hlp UP ecoliref.hlp #Please insert subtopic references (line starts with keyword SUB) SUB exportcursor.hlp SUB nekey_map.hlp SUB submission.hlp SUB ne_search.hlp SUB ne_replace.hlp SUB ne_compl.hlp SUB ne_new_sequence.hlp SUB ne_copy_sequence.hlp SUB ne_align_seq.hlp SUB neprops_data.hlp SUB neprops.hlp SUB helixsym.hlp SUB ne_pretty.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Old Sequence Editor OCCURRENCE ARB_NT/Sequence/Other sequence editors/Edit marked sequences (ARB) DESCRIPTION The editor allows you to view and modify the sequences of 'marked species' (see LINK{glossary.hlp}) and 'SAI' (sequence associated information) data stored in the data base, and to insert new data. Potential secondary structure is automatically checked and the information can be displayed with the primary structure. Protection levels can be assigned to the sequences and 'SAI' entries individually. The editor permanently communicates with the database and other ARB tools. Every change made by the editor is immediately exported to the database. All sequence changes made by other ARB tools are exported to the editor every 5 seconds. Multiple editors can be used synchronously. Display: The first column of the editing area of the 'ARB_EDIT' window shows the protection levels. The names of sequences (> name<) and SAI entries (# name#) are listed in column 2. @@@ sequences Cursor: The cursor can be moved using the mouse or the arrow keys. The current cursor positions with respect to the alignment and the E. coli sequence (there has to be an 'SAI' entry: ECOLI) are indicated after the 'abs-pos' and 'ecoli-pos' prompts in the upper part of the 'ARB_EDIT' window, respectively. Moving entries: To move an individual entry, position the cursor on the name, keep the left mouse button pressed, move the entry to the desired position, and release the button. Any entry can be fixed (keeps its position while scrolling) at the top or bottom of the editing area by moving it beyond this area. Editing: Protection: To perform editing, the protection level of the particular entry has to be set to 0 (select protection from the 'EDIT' menu of the 'ARB_EDIT' window) or the protection has to be set globally (press the 'Protection' button in the upper part of the 'ARB_EDIT' window) to a level equal to or higher than that assigned to the entry. Modes: There are three editing modes which can be selected by pressing F1 or the <align/insert/replace> button in the upper part of the 'ARB_EDIT' window. Nucleotide (amino acid) and gap symbols can be assigned to any of the letter and symbol keys by using the 'Key Mapping' facility ('EDIT' menu). Typing can be done in both directions. Select 5'>3' or 3'>5' by pressing the <orientation> button. Replace: Any character right (5'>3') or left (3'>5') to the cursor is replaced by nucleotide (aminoacid) and gap symbols. Characters are deleted ('Del' and 'Backspace' keys) right (5'>3') or left (3'>5') of the cursor Insert: Nucleotide (amino acid) and gap symbols are inserted or deleted ('Del' and 'Backspace' keys) right (5'>3') or left (3'>5') of the cursor. Align + Sequence check: Only gap symbols are inserted or deleted ('Del' and 'Backspace' keys) right (5'>3') or left (3'>5') of the cursor. Sequence check is performed by typing nucleotide (aminoacid) symbols. Discrepancies between typed and existing symbols are indicated by beeping. @@@ Zahlen vervielfachen die Eingabe Moving nucleotide (amino acid) symbols: CTRL + LEFT/RIGHT Push or pull a coherent sequence stretch next to the cursor. ALT + LEFT/RIGHT Move a single nucleotide (amino acid) symbol from right or left to the cursor position. If the cursor is placed at a gap position adjacent to a nucleotide (amino acid) symbol this symbol is moved in the direction of cursor position to the next symbol (jumps over gaps). @@ Shift left and Right @@ MG Knopf EXAMPLES None NOTES The order of the entries cannot be saved to the database. The cursor is removed if it is scrolled outside the visible area. You may use the META key instead of ALT (especially if there is no ALT key :) WARNINGS The key mappings may conflict with some window managers (eg. olvwm). Disable the CTRL-LEFT/RIGHT keys of the window manager. If you perform major database modifications such as - changing the length of the alignment - adding new SAIs you have to QUIT and restart the editor. @@@ MG jump BUGS Moving the cursor up and down does not scroll the window. ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_envar.hlp�����������������������������������������������������0000644�0126641�0000013�00000006003�11656765614�021062� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB environment variables OCCURRENCE Anywhere DESCRIPTION Arb is aware of several environment variables: ARBHOME Should be set to the arb install directory (usually /usr/arb) LD_LIBRARY_PATH path to system libraries (should contain $ARBHOME/lib (i.e. /usr/arb/lib if $ARBHOME is /usr/arb)). Set by the 'arb' script. ARB_TEXTEDIT The name of the editor you like to use when editing textlike files via ARB (default is to autodetect using arb_textedit) ARB_XTERM The call which is needed to create a normal xterm (default: xterm -sl 1000 -sb -geometry 120x50 ) ARB_XCMD The call which is needed to create a xterm invoking external programs (default: $ARB_XTERM -e ). USER your username (normally set by shell). ARB_PID internal PID for communication (set by the 'arb' script) ARBMACRO directory name where global ARB-macros may be provides by system administrator (default: $ARBHOME/lib/macros ) ARBMACROHOME directory name where your local ARB-macros will be saved to/loaded from (default: $HOME/.arb_prop/macros ) ARB_GS name of postscript viewer used by ARB (default: 'gv' or 'ghostview') ARB_PDFVIEW name of pdf viewer used by ARB (default: 'epdfview' or 'acroread' or 'gv') ARB_WORKDIR extra directory appearing in ARB-File-Browsers (default: none) ARB_DOC directory where ARB searches for *.ps, *.ps.gz, *.pdf and *.pdf.gz (default: $ARBHOME/lib/help) NOTES Short description of how to set an environment variable: 1. for bash users (add to .bashrc): ARB_GS='my_special_postscript_viewer' export ARB_GS 2. for tcsh users (add to .cshrc): setenv ARB_GS 'my_special_postscript_viewer' EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_export.hlp����������������������������������������������������0000644�0126641�0000013�00000004363�11213220015�021241� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mark.hlp UP nt_align_select.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB export_format.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Export Selected Species and Sequences OCCURRENCE ARB_NT/File/Export Foreign Format DESCRIPTION Exports the selected 'alignment' of some or all 'species' in various formats. Choose the 'EXPORT FOREIGN FORMAT' option from the 'File' menu to display the 'ARB EXPORT' window. Select a formate from the corresponding subwindow. Choose whether to export all or only marked species. Choose a filter to export only selected columns. Select a compression method: - 'none' preserves the alignment information - 'vertical gaps' removes all columns containing only gaps - 'all gaps' completely remove the alignment information Check 'Cut stop codon' to cut off the sequence at the stop codon. Define whether the data should be written to one or to multiple files by clicking on the checkbox after the 'Should the data be written to multiple files:' prompt. In the multiple file mode, each 'species' is written to its own file. Define an output file name by selecting from the 'Directories and Files' subwindow or by typing it to the 'Output File Name' subwindow. In the multiple file mode, the resulting filenames are created by appending the 'species name' to the specified output filename separated by underscores (filename_species name). Press the <GO> button EXPERT: The program reads the selected format (formats is $ARBHOME/lib/export/*.eft) and replaces all references to species information by the value of the reference. See LINK{export_format.hlp} for more information. NOTES The formates can be customized (see LINK{export_format.hlp}) For a list of common database entries see LINK{sp_info.hlp}. EXAMPLES None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_export_nds.hlp������������������������������������������������0000644�0126641�0000013�00000002426�11213220015�022103� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP props_nds.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Export NDS List OCCURRENCE ARB_NT/File/Export NDS List DESCRIPTION Writes 'field' (see LINK{glossary.hlp}) entries and other information specified using the 'NDS' tool (see LINK{props_nds.hlp}) of 'marked species' (see LINK{glossary.hlp}) to an ascii file. Choose the 'Export NDS List' option from the 'File' menu to display the 'EXPORT NDS OF MARKED SPECIES' window. Select a file name from the 'Directories and Files' subwindow or type it to the 'File Name' subwindow. If you want to use the exported data in a star-calc/excel/... sheet, you should check the 'Use TABs for columns' option. NOTES The suffix shown or typed in the 'Suffix' subwindow is used as a filter for the displayed file names and is automatically appended to the file name in the 'File Name' subwindow. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_gde.hlp�������������������������������������������������������0000644�0126641�0000013�00000001227�11440743001�020462� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP gde.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE GDE Extended Menu DESCRIPTION Provides access to the integrated GDE software. See LINK{gde.hlp} for original description of GDE. EXAMPLES None WARNINGS Some of the GDE tools are not available or do not run properly blast/fasta require properly installed databases BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb.hlp�����������������������������������������������������������0000644�0126641�0000013�00000012255�11440743001�017646� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP help.hlp UP FAQS.hlp UP glossary.hlp UP version.hlp UP arb_commands.hlp UP copyright.hlp UP arb.pdf UP changes.hlp #Please insert subtopic references (line starts with keyword SUB) SUB arb_ntree.hlp SUB arb_pars.hlp SUB e4.hlp SUB gde.hlp SUB pt_server.hlp SUB save.hlp SUB no_tree.hlp #************* Title of helpfile !! and start of real strunk ******** TITLE ARB: a Short Introduction OCCURRENCE General info DESCRIPTION ARB (ARBor, Latin: tree): A software environment for maintaining databases of molecular sequences and additional information, and for analyzing the sequence data, with emphasis on phylogeny reconstruction. The programs have primarily been developed for ribosomal ribonucleic acid (rRNA) sequences and, therefore, contain special tools for alignment and analysis of these structures. However, other molecular sequence data can also be handled. Protein gene sequences and predicted protein primary structures as well as protein secondary structures can be stored in the same database. The ARB package is designed for graphical user interface. Program control and data display are available in a hierarchical set of windows and subwindows. The majority of operations can be controlled using the mouse for moving the pointer and the left mouse button for initiating and performing operations SECTION HOW TO START Enter <arb> or <arb filename> to start. SECTION ARB MODULES ARB_DB A central database of (aligned homologous) sequences and additional information, taken from public databases or supplied by the user, is stored in a (binary or ASCII) file (*.arb). All ARB tools for database handling and most ARB tools for data analysis act directly upon the database. Any local modifications by individual ARB tools are immediately exported to the database and all other active tools. The database can be structured according to phylogeny or other user-defined criteria. Tools for text-oriented database searching are integrated. ARB_NT Phylogenetic trees derived from the data or imported from other sources are displayed within the main window. Different tree topologies, complete trees, and subtrees can be stored and used for "walking" through the database. Database entries can be shown with the tree on the screen or in separate windows. Trees can be used to define subsets of data for display or analysis by other ARB tools. Publication-ready trees can be produced by shaping the displayed tree topology and printing or exporting the tree to foreign software (TREETOOL [], XFIG []). ARB_EDIT An editor for the display of sequences and sequence-associated data (masks and filters, consensus sequences, higher-order structure) and basic editing functions is available. This tool allows manual entering of new sequences (with a customized keyboard, if desired); manual modification of alignments; search and replacement of sequence stretches; and printout of data. Predicted higher-order structure is automatically checked according to a user-provided mask, and may be displayed with the sequences by user-definable symbols. ARB_ALIGN The ARB tool for automated sequence alignment searches for the most similar sequences in the database and inserts the new sequence into an existing alignment according to primary and higher-order structural similarity. ARB_IMPORT/EXPORT ARB modules as well as integrated foreign software (GDE [1], READSEQ [2], CONVERTALIGN [3]) can be used for import and export of (subsets of) data in different formats, and for database merging. ARB_PROTECTION Up to six hierarchical protection levels can be individually assigned to database entries to prevent unintended modification or loss of data. ARB_NAMES Unique identifiers are automatically generated for the individual entries and stored with the database. This prevents multiple entries of the same data, and assignment of identical names to different data. ARB_PHYL ARB tools and integrated foreign software (PHYLIP [4], DE SOETE [1], fastDNAml [4]) allow calculation of similarity/distance matrices, conservation profiles, selection masks and phylogenetic tree reconstruction using different treeing approaches. ARB_PROBE Species- and group-specific probes are designed and checked by searching the complete database for unique sequence stretches. Potential probe or target sites are ranked by user-supplied criteria for mismatch weighing. NOTES Most ARB tools allow user input concerning database structure, data selection, inclusion of additional data, specification of analysis parameters, and design of simple programs for online data analysis. Default values or examples are included in the current release. Online help is available for all tools (windows). EXAMPLES None WARNINGS !!! The protection level option is only available for sequences in the current release !!! !!! The trees provided with the current release are definitely not optimal trees !!! However, they are useful for database walking. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_import.hlp����������������������������������������������������0000644�0126641�0000013�00000005642�11222657507�021257� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP saveas.hlp UP arb_intro.hlp #Please insert subtopic references (line starts with keyword SUB) SUB importift.hlp SUB universal_ift.hlp SUB dewachter_ift.hlp SUB rdp_ift.hlp SUB ebi_ift.hlp SUB fasta_ift.hlp SUB dssp_ift.hlp SUB gde_ift.hlp SUB gde_flat_ift.hlp SUB ae2_ift.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Import Foreign Data(bases) OCCURRENCE ARB_INTRO <Create and Import>, ARB_NT/File/Import/Import sequences and fields (ARB) DESCRIPTION Reads foreign data(base) formats, creates a new ARB database, and imports the foreign data. A selection of commonly used foreign formats can be automatically identified. Data can be imported from single or multiple files. Type a source file name to the 'Enter file name of foreign database' subwindow. Use * and ? as multiple and single character wild carts to load a set of files, respectively. Alternatively you may select a file from the directories and files subwindow. Make a selection whether you want to import - a full genome flatfile (in GENBANK or EMBL format) or - normal sequence files. In the second case select the file format from the 'Select foreign database format' subwindow or press the 'AUTO DETECT' button. If your file type is not in the list and you are only interested in the sequence, try 'universal'. Enter an 'alignment' name. This allows you to distinguish between different alignments in the same datebase later. Press the 'GO' button. NOTES Following file formats currently can be detected and loaded: GENBANK, RDP: GENBANK and AE2, GCG used by GENIUS, FastA, DSSP. To import big new databases into an existing ARB database, convert it to the ARB format first, save and merge it with the 'ARB_INTRO <MERGE TWO ARB DATABASES>' tool. For importing other formats such as PHYLIP or PAUP into an existing ARB database use the 'Import sequences using Readseq' function accessible via the 'File' menu of the 'ARB_NT' main menu. See LINK{agde_readseq.hlp}. If 'AUTO DETECT' does not find any format, selecting a format by hand most likely wont help you (exception: universal format). WARNINGS When using 'AUTO DETECT', check if the correct format is detected. RDP files may for instance be identified as GenBank. In such case choose 'rdp.ift' manually. BUGS 'AUTO DETECT' looks for certain key-words in the files. If it can't find these words, it does not accept the file, even if the file has the correct format. This is especially true for the gcg format. ����������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_intro.hlp�����������������������������������������������������0000644�0126641�0000013�00000003722�11440743001�021060� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP arb_commands.hlp UP arb.pdf UP glossary.hlp UP help.hlp #UP arb_ntree.hlp #Please insert subtopic references (line starts with keyword SUB) SUB arb_import.hlp SUB arb_merge.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Open, Merge, Create ARB Databases DESCRIPTION Allows to open an existing 'ARB' database, to merge two 'ARB' databases, and to create a new 'ARB' database importing external data. To open an existing 'ARB' data base, select a '*.arb' file from the 'Existing Files and Directories' subwindow and press the 'OPEN EXISTING' button to display the 'ARB_NT' main window. To merge (parts of) two 'ARB' databases, press the 'MERGE TWO ARB DATABASES' button to display the 'SELECT AND MERGE TWO DATABASES' window. To create a new 'ARB' database, press the 'CREATE AND IMPORT' button to display the 'ARB IMPORT' window. NOTES A suffix typed or displayed in the 'Suffix' subwindow is used as a filter for the file names to be displayed in the 'Existing Files and Directories' subwindow. If you want to load a specified ARB quick-save file, remove the suffix and select the wanted file. ARB databases stored in any directory with read and write permission can be opened starting 'arb' from the current directory. Find the path by successively selecting the corresponding directories from the 'Existing Files and Directories' subwindow. You might also specify the name of a database or just a directory in the command line. Details can be found in the command line help. Goto a shell and type arb_ntree --help EXAMPLES None WARNINGS !!! The suffix of 'ARB' database files has to be '.arb'.!!! BUGS No bugs known ����������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_merge.hlp�����������������������������������������������������0000644�0126641�0000013�00000003173�11213220015�021015� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_intro.hlp #Please insert subtopic references (line starts with keyword SUB) #************* Title of helpfile !! and start of real helpfile ******** TITLE Merge two Databases OCCURRENCE ARB_INTRO DESCRIPTION Allows to merge two databases. Complete 'ARB' databases, selected 'species', 'fields' and/or 'field' entries, 'SAI' entries, and trees (see LINK{glossary.hlp}) can be transferred from the database specified as 'Database I' to that specified as 'Database II'. Define databases I and II by typing (path and) file names to the 'FILE NAME:' subwindows below the 'Select Database I' and 'Select Database II' prompts, or by selecting them from the corresponding 'Directories and Files' subwindows. Database I must exist, database II may. If database II does not exist a new database is created. 'ARB_MERGE' can be used to extract data from database I. Press the 'SELECTED' button to - Load the two databases - Close this window - display the 'ARB_MERGE' window. NOTES 'ARB' databases stored in any directory with read and write permission can be selected. Find the path by successively selecting the corresponding directories from the 'Directories and Files' subwindows. If you enter a non-existing name for database II, a new database will be created. WARNINGS The data will always be transferred from 'Database I' to 'Database II'. !!! If there are entries (for selected data) in both databases, those in 'Database II' will be overwritten.!!! BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_ntree.hlp�����������������������������������������������������0000644�0126641�0000013�00000007520�11213220015�021033� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb.pdf UP save.hlp UP FAQS.hlp UP manual.hlp #Please insert subtopic references (line starts with keyword SUB) SUB trees.hlp SUB species.hlp SUB genes.hlp SUB extended.hlp SUB alignment.hlp SUB props_nds.hlp SUB mode.hlp SUB nt_keys.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_NT Main Window DESCRIPTION 'ARB_NT' is the main window for the current ARB database and provides access to all ARB tools for analyzing and modifying this database via menus or buttons. The tree shown within the tree display area can be used to walk through the database, to structure it according to phylogeny, and to display any information stored within the database at its nodes. Clicking on the prompts in the horizontal menu bar in the upper part of the window displays the corresponding submenus. The submenus are also available using keyboard shortcuts by pressing the meta and a letter key indicated in the main menu bar by underlining. File: Save the database, export and import data. Species: Display, create, rename, delete, convert 'species' (see LINK{glossary.hlp}) associated 'field' (see LINK{glossary.hlp}) entries; Database searching; Automated renaming of 'species' Mark and unmark (see LINK{glossary.hlp}) Sequence: Create, copy, delete, rename, check, modify 'alignments' (see LINK{glossary.hlp}); Translate sequences, realign DNA according to translated amino acid sequences; Edit sequences and 'SAI' (see LINK{glossary.hlp}). SAI: Copy, delete, rename, convert Sequence Associated Information; Calculate consensus and positional variability Probes: Probe and Primer design and matching Handle 'PT_SERVER' (see LINK{glossary.hlp}); Tree: Copy, delete, import, export, print trees; Modify tree display; Calculate similarity/distance matrices, profiles, filters; Reconstruct phylogenetic trees. Properties: Customize display of windows, trees and data. To save the settings choose the 'Save Defaults' item from the 'File' menu. ETC: A collection of different functions. Use external programs via GDE. The buttons of the area between the main menu bar and the tree display area (from left to right) ('called top area'): First large button: Displays the name of the current database and allows you [or "the user"] to save it. Second large button: Indicates the name of the current tree and allows selection of the tree to be displayed. Third large button: Indicates the name of the current 'alignment' (subdatabase; see LINK{glossary.hlp}) and allows switching to another 'Alignment. Fourth large button: Displays the name of the selected 'species' (see LINK{glossary.hlp}) and provides access to the database search tools. Protection button: Sets the protection level for the current 'alignment' HELP button: Displays this help information. First small button: Displays radial tree Second small button: Displays dendrogram Third small button: Sequence editing Jump button: Displays partial tree within the tree display area of the 'ARB_NT' window containing the selected 'species' (see LINK{glossary.hlp}) The buttons of the first column of the 'ARB_NT' window are used to select different modes for editing and modifying the current tree shown in the tree display area. NOTES Online help is available for all menu items and buttons (see LINK{help.hlp}). EXAMPLES None WARNINGS None BUGS Report any bugs: send bug report to LINK{devel@arb-home.de} ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_pars.hlp������������������������������������������������������0000644�0126641�0000013�00000006255�11440743001�020676� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mode.hlp SUB arb_pars_init.hlp SUB ap_stack.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB Parsimony OCCURRENCE ARB_NT/Tree/Add species to existing tree/Parsimony ... DESCRIPTION The 'ARB_Parsimony' and 'ARB_NT' windows are similar. 'ARB_ Parsimony' contains a subset of 'ARB_NT' functions and in addition some tolls for tree reconstruction and evaluation. Clicking on the prompts in the horizontal menu bar in the upper part of the window displays the corresponding submenus. The submenus are also available using keyboard shortcuts by pressing the meta and a letter key indicated in the main menu bar by underlining. The buttons of the area between the main menu bar and the tree display area (from left to right) ('called top area'): First large button: Displays the name of the current tree. Stack button: Displays the number of stored tree topologies Jump button: Displays partial tree within the tree display area of the 'ARB_NT' window containing the selected 'species' (see LINK{glossary.hlp}) HELP button: Displays this help information. First small button: Displays radial tree Second small button: Displays dendrogram + and - buttons: Define number of stored tree topologies. Select version to be displayed. The values after the 'Current Par' and 'Optimal Par' prompts indicate current and optimal parsimony values for the displayed tree while moving subtrees manually (see LINK{mode_move.hlp}) The program works on the selected tree, it does instantly change the database. FUNCTIONS: Tree/quick add marked species: Add all marked species to this tree. No local rearrangements are performed. If the species are already in the tree do nothing. Tree/quick add selected species: Add the selected species to this tree. To select a species open the 'Search & Query' window in ARB Ntree (ARB_NT/species/search); And select a species. or: start the editor, make the cursor global and select a sequence Tree/add marked species: Quick add plus local rearrangements. Tree/add selected species: Quick add sel. species plus local rearrangements. Tree/Optimization/Local Try to find a better tree moving all branches across one other branch. Does not change elements in folded subtrees. Tree/Optimization/Global Try to find a better tree by moving all branches, over some branches. Does not change elements in folded subtrees. Note: This may take a long time. You may stop the program any time and keep the current best tree. If you have to answer the question either to wait or to kill, answer wait. Tree/calculate branch lengths Does what it says etc.. see ARB Ntree NOTES To create (small) parsimony trees use the phylip program EXAMPLES None BUGS None ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb_pars_init.hlp�������������������������������������������������0000644�0126641�0000013�00000002557�11440743001�021722� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_pars.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB PARSIMONY INTRO ( Filter Weights ) OCCURRENCE ARB_NT/Tree/Add Species to Tree DESCRIPTION Set basic options for the parsimony program. If you do not want to use a filter, you should select a filter (eg. E. coli) which excludes only the big gaps in the alignment. Otherwise the program will count thousands of uninformative columns. If you want a transversion parsimony, open the filter window, and change the "simplify" option to TRANSVERSIONS ONLY NOTES After pressing go, no species is added, no tree is changed, you only get a new window (with some action buttons). WARNINGS You can only change filter settings at start-up time. You should use filters in combination with large databases to speed up computation. Gaps ('-') are treated as bases, so check for gaps at the beginning or end of short sequences. Replace them by '.'. BUGS All sequences are read at start-up time. Sequence changes afterwards are ignored. Restart arb_parsimony if you want them to take effect. �������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/arb.pdf.gz��������������������������������������������������������0000644�0126641�0000013�00001165726�11213220015�020261� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������‹�„Ø`I�Œ}S”(ʲdï¶mÛ¶mÛ¶mÛ¶mÛîݶmÛÖ¼ykîósþjåg­Ê¨ˆ¨Ì,yaQZfH’Ñ«¸BH|z|;CKHnn:i[3gs|Öÿ‰(Ò‰ZX;›8âÓ‰Z8››Ù›ðòB:9;šØ@ºg‡(I™#K!«Ü1-¡##ói œ=ªXuvònë¨à&Fô2@š "[ñ$10móúò?aDÛ}ÞÝÛWü Öi‡GN#lŸ Br ÌÇÚÇ?œ½Æhj„ê´}®ðºé(«,£/Ân2þJb9ÂVnßâ‡N›GFBSGVâ„�AU´º²”Sà[ßM“õ…g»¬ç(ò‡<ú 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ARB_SECEDIT always displays the data of the species currently selected in ARB_EDIT4. NOTES If you start ARB_SECEDIT the first time with the current alignment, you'll see a initial structure with one helix folded. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/asciiprint.hlp����������������������������������������������������0000644�0126641�0000013�00000001517�11213220015�021237� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Print Ascii Files to Postscript Printer OCCURRENCE ARB_NT DESCRIPTION Sends ascii files to postscript printer. Allows scaling and splitting of text to fit a given number of pages. You may set any parameter and all the others will be updated to fit your choice. NOTES Use preview to check output EXAMPLES Set columns of pages to 1.0 to get the biggest font which fits on one page. Set rows of pages to 2.0 if you want exactly two pages BUGS Paper Size is not used yet ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/awt_csp.hlp�������������������������������������������������������0000644�0126641�0000013�00000004750�11440743001�020543� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB pos_var_pars.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk******** TITLE Estimate Parameters from Column Statistics OCCURRENCE ARB_DIST DESCRIPTION In a standard RNA, base frequencies are not equally distributed. Especially in the archea subclass we find extremely G+C rich sequences. This yielded in a couple of new rate corrections, algorithms and programs which: - calculate the average G+C content of all/two sequences - correct the distance. But further research showed us that the G+C frequencies are not equally distributed within a sequence. Especially helical parts have a significant higher G+C content than non helical parts. One strait forward algorithm would calculate each frequency independently for each column. Especially for small datasets the resulting frequencies would look like random data, as too few examples are analyzed. In ARB we implemented a combination of the 2 approaches. Lets say we want to estimate a Parameter 'P' with a maximum variance 'maxvar', so we need a minimum samples 'minsap'. - All sequence positions a clustered according to - helical/non helical region - variability The size of the cluster is choosen with respect to the variability of the sequences to get a minimum of independent events. - The final parameter estimate for a column is a weighted sum between the estimate for the cluster and the estimate for the single position. You can give your favorite method a higher weight by controlling the smoothing parameter: Less smoothing -> independent parameter estimates Much smoothing -> clustered parameter estimates To get a good tree we recommend you to try all selections. NOTES To get parameters from a column statistic you first have to create one. Do this with <ARB_NT/SAI/Positional Variability (Parsimony M.)> WARNINGS Problems may occur when 1. independent parameter estimates is selected and 2. your dataset is quit small (<100 Sequences) and 3. one sequence is bad or badly aligned or 1. Much smoothing of parameters is selected and 2. you are analyzing ribosomal RNA and 3. 'Use Helix Information' is turned off BUGS No bugs known ������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/bootstrap.hlp�����������������������������������������������������0000644�0126641�0000013�00000002520�11213220015�021102� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP dist.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE IMPORTANT bootstrap notes OCCURRENCE ARB_DIST DESCRIPTION Calculates a number of trees (specified at 'No. of trees') based on a partial set of columns and shows the consensus tree. The branches in that tree are marked by a percentage value. The higher that percentage is (best > 99%), the more likely that the branch is correct. Percentages above 99% are not displayed. NOTES If you specify '0' at 'No. of trees', the calculation won't stop. You may stop it by pressing 'KILL'. When you're then asked whether to wait or kill (after pressing the kill button), press 'WAIT' - or you'll kill the complete calculation. The output tree is a consensus partial tree. Species and subgroups which wander around in the input trees are not shown in the output tree. WARNINGS Species that cannot be placed properly are removed from the final tree. BUGS See Warnings. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/change_security.hlp�����������������������������������������������0000644�0126641�0000013�00000002024�11440743001�022247� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB set_protection.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Protection Level OCCURRENCE ARB_NT/Protection ARB_EDIT/EDIT/Set Protection Level ... DESCRIPTION An individual protection level (0 - 6) can be assigned to all types of database entries (sequences and additional information stored in a particular 'field'). To modify any entries, a protection level has to be selected from the 'Protection' menu of the main window equal to or higher than that assigned to the data. Default Protection Levels: Sequence names: 5 EXAMPLES None WARNINGS It is recommended to reset the protection level after performing operations to prevent unintentional modification or loss of data. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/checkfield.hlp����������������������������������������������������0000644�0126641�0000013�00000001243�11213220015�021147� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP tags.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Get the differences between two sequences of different databases OCCURRENCE ARB_MERGE/Transfer Species/Compare Sequences of.. DESCRIPTION Starts a string compare. @@@@ NOTES None EXAMPLES None WARNINGS Be careful, select only destination fields, that don't contain any data BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/checkgcg.hlp������������������������������������������������������0000644�0126641�0000013�00000001031�11440743001�020626� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Check Genius List OCCURRENCE ARB_NT/ETC/Check GCG List DESCRIPTION !!!!! Currently no help available !!!!!! NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/check_quality.hlp�������������������������������������������������0000644�0126641�0000013�00000002123�11440743001�021720� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Check the Quality of Sequences OCCURRENCE ARB_NT DESCRIPTION Takes sequences, a tree and a column statistic as input, and generates a short sequence quality output string, which will be stored into the database under a user defined key. First the sequences are split into different subsequences: 2 pieces: front and back half 5 equally sized pieces: user defined sized pieces. The programs sums up the weighted mutations for each sequence part using a maximum likelihood technique. NOTES this feature is still under construction. Only sequences which are in the tree are used. WARNINGS Needs a really lot of computer memory! BUGS Does not delete the destination field of species not in the tree. ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/color.hlp���������������������������������������������������������0000644�0126641�0000013�00000001720�11213220015�020204� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tgroupcolor.hlp SUB set_color_of_listed.hlp SUB markcolor.hlp SUB mark.hlp SUB color_props_groups.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are color groups? DESCRIPTION Color groups are groups of species (genes, experiments, ..). Every species can only belong to ONE color group. All species of one color group are displayed in the same color in the tree display. NOTES The colors used to display can be customized with 'Properties/Tree: Color and fonts/Edit color groups' It's possible to toggle between marks and colors using 'ARB_NTREE/Species/Colors' ������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/colorize.hlp������������������������������������������������������0000644�0126641�0000013�00000001626�11440743001�020730� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mark.hlp SUB color.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Colorizing marked items / Marking colored items OCCURRENCE Species/Colors Genes/Colors Organisms/Colors Experiments/Colors DESCRIPTION Allows to toggle between colored and marked items. First select which color group should be targetted on the right side. Then select an action by clicking onto one of the action buttons on the left side. NOTES You can define the color names in properties. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/color_props_groups.hlp��������������������������������������������0000644�0126641�0000013�00000001405�11213220015�023026� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB color.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Configure color groups OCCURRENCE .../Properties/Colors and Fonts/Edit color groups DESCRIPTION This allows to configure the colors and names used for the different color groups. See LINK{color_props.hlp} for general help about color configuration. Press 'Define names' to name the color groups. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/color_props.hlp���������������������������������������������������0000644�0126641�0000013�00000003076�11213220015�021435� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Color properties OCCURRENCE many places DESCRIPTION This is a generic window that allows you to configure the display colors of the current application. Click onto the colorized button to open a color selection window. That window contains some predefined colors and the possibility to change red/green/blue values of the current color. Next to the colorized buttons there are textfields containing the color values. There are three different types of values: - color names (like 'red', 'green', ..) - '#rgb' where r/g/b stands for 0..f (hexadecimal values) - '#rrggbb' same as above Attached to some of the colors there are font definitions, where you may select the font type and size. This window may contain a button at the bottom, allowing you to define the colors of color groups (see LINK{color_props_groups.hlp}). NOTES See 'xcolors' for color names. EXAMPLES None WARNINGS None BUGS Colorized buttons do not change their color until the application has been restarted. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/commands.hlp������������������������������������������������������0000644�0126641�0000013�00000052044�11440743001�020703� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp #SUB parser.hlp #SUB regexpr.hlp SUB exec_bug.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB Command Interpreter (ACI) OCCURRENCE NDS [ export db ] [ ARB_NT/Species/search/parse_fields ] DESCRIPTION The command interpreter is a simple interpreter. All commands take the data from the input streams, modify it and write it to the output (which may be the input of the next command). The first input stream is normally the value of a database field (see NDS for more information). e.g. count("a") counts every 'a' in each input stream and generates an output stream (== the sum of 'a') for every input. Many commands have command modifiers which are appended to the command. Different commands can be separated by: ';' all !!! commands take all !!! the input streams and each command generates its own output streams '|' the output of the left commands are used as the input of the right. e.g. count("A");count("AG") creates two streams: 1. how many A's 2. and how many A's and G's count("A");count("G")|per_cent per_cent is a command that divides two numbers (number of 'A's / number of 'G's) and returns the result as percent. Finally all output streams are concatenated and - NDS: printed at the tips of the tree. - MODIFY DATABASE FIELD: stored in the destination field. DESCRIPTION eg: count("A");count("G")|"a/g = "; per_cent input --> count("A") -->| -----> "a/g = " --> | \ "AGG" \ | \ / | --> 'a/g = 50' \ | \ | --> \ | / --> per_cent --> | / . ->count("G")-->| -----> | SECTION COMMANDLIST If not otherwise mentioned every command creates one output stream for each input stream. STREAM HANDLING echo(x1;x2;x3...) creates an output stream for each parameter 'x' and writes 'x' onto it. "text" == echo("text") dd copies all input streams to output streams cut(N1,N2,N3) copies the Nth input stream(s) drop(N1,N2) copies all but the Nth input stream(s) dropempty drops all empty input streams dropzero drops all non-numeric or zero input streams swap(N1,N2) swaps two input streams (w/o parameters: swaps last two streams) toback(X) moves the Xth input stream to the end of output streams tofront(X) moves the Xth input stream to the start of output streams merge([sep]) merges all input streams into one output stream. If 'sep' is specified, it's inserted between them. If no input streams are given, it returns 1 empty input stream. split([sep[,mode]]) splits all input streams at separator string 'sep' (default: split at linefeed). Modes: 0 remove found separators (default) 1 split before separator 2 split after separator streams returns the number of input streams STRING head(n) the first n characters left(n) the first n characters tail(n) the last n characters right(n) the last n characters len the length of the input len("chr") the length of the input excluding the characters in 'chr' mid(x,y) the string from x to y y < 0 means a position relative to the end crop("str") removes characters of 'str' from both ends of the input remove("str"); removes all characters of 'str' e.g. remove(" ") removes all blanks keep("str"); the opposite of remove: remove all chars that are not a member of 'str' srt("orig=dest",...) replace command, invokes SRT (see LINK{parser.hlp}) translate("old","new"[,"other"]) translates all characters from input that occur in the first argument ("old") by the corresponding character of the second argument ("new"). An optional third argument (one character only) means: replace all other characters with the third argument. Example: Input: "--AabBCcxXy--" translate("abc-","xyz-") "--AxyBCzxXy--" translate("abc-","xyz-",".") "--.xy..z...--" This can be used to replace illegal characters from sequence date (see predefined expressions in 'Modify fields of listed species'). tab(n) append n-len(input) spaces pretab(n) prepend n-len(input) spaces upper converts string to upper case lower converts string to lower case caps capitalizes string format(options) takes a long string and breaks it into several lines option (default) description ========================================================== width=# (50) line width firsttab=# (10) first line left indent tab=# (10) left indent (not first line) "nl=chrs" (" ") list of characters that specify a possibly point of a line break; This character is deleted ! "forcenl=chrs" ("\n") Force a newline at these characters. extract_words("chars",val) Search for all words (separated by ',' ';' ':' ' ' or 'tab') that contain more characters of type chars than val, sort them alphabetically and write them separated by ' ' to the output STRING COMPARISON compare(a,b) return -1 if a<b, 0 if a=b, 1 if a>b equals(a,b) return 1 if a=b, 0 otherwise contains(a,b) if a contains b, this returns the position of b inside a (1..N) and 0 otherwise. partof(a,b) if a is part of b, this returns the position of a inside b (1..N) and 0 otherwise. The above functions are binary operators (see below). For each of them a case-insensitive alternative exists (icompare, iequals, ...). CALCULATOR plus add arguments minus subtract arguments mult multiply arguments div divide arguments per_cent divide arguments * 100 (rounded) rest divide arguments, take rest The above functions work as binary operators (see below). To avoid 'division by zero'-errors, the operators 'div', 'per_cent' and 'rest' return 0 if the second argument is zero. Calculation is performed with integer numbers. BINARY OPERATORS Several operators work as so called 'binary operators'. These operators may be used in various ways, which are shown using the operator 'plus': ACI OUTPUT STREAMS plus(a,b) a+b input:0 output:1 a;b|plus a+b input:2 output:1 a;b;c;d|plus a+b;c+d input:4 output:2 a;b;c|operator(x) a+x;b+x;c+x input:3 output:3 That means, if the binary operator - has no arguments, it expects an even number of input streams. The operator is applied to the first 2 streams, then to the second 2 stream and so on. The number of output streams is half the number of input streams. - has 1 argument, it accepts one to many input streams. The operator is applied to each input stream together with the argument. For each input stream one output stream is generated. - has 2 arguments, it is applied to these. The arguments are interpreted as escaped ACI commands and are applied for each input stream. The results of the commands are passed as arguments to the binary operator. For each input stream one output stream is generated. CONDITIONAL select(a,b,c,...) each input stream is converted into a number (non-numeric text converts to zero). That number is used to select one of the given arguments: 0 selects 'a', 1 selects 'b', 2 selects 'c' and so on. The selected argument is interpreted as ACI command and is applied to an empty input stream. DEBUGGING trace(onoff) toggle tracing of ACI actions to standard output. Start arb from a terminal to see the output. Parameter: 0 or 1 (switch off or on) All streams are copied (like 'dd'). DATABASE AND SEQUENCE readdb(field_name) the contents of the field 'field_name' sequence the sequence in the current alignment. Note: older ARB versions returned 'no sequence' if the current alignment contained no sequence. Now it returns an empty string. For genes it returns only the corresponding part of the sequence. If the field complement = 1 then the result is the reverse-complement. sequence_type the default sequence's type(rna/dna..) sequence_name the default sequence name(ali_16s,..) Note: The commands above only work at the beginning of the ACI expression. checksum(options) calculates a CRC checksum options: "exclude=chrs" remove 'chrs' before calculation "toupper" make everything uppercase first gcgchecksum a gcg compatible checksum format_sequence(options) takes a long string ( sequence ) and breaks it into several lines option (default) description ============================================================= width=# (50) sequence line width firsttab=# (10) first line left indent tab=# (10) left indent (not first line) numleft (NO) numbers on the left side gap=# (10) insert a gap every # seq. characters. extract_sequence("chars",rel_len) like extract_words, but do not sort words, but rel_len is the minimum percentage of characters of a word that mach a character in 'chars' before word is taken. All words will be separated by white space. taxonomy([treename,] depth) Returns the taxonomy of the current species or group as defined by a tree. If 'treename' is specified, its used as tree, otherwise the 'default tree' is used (which in most cases is the tree displayed in the ARB_NT main window). 'depth' specifies how many "levels" of the taxonomy are used. FILTERING There are several functions to filter sequential data: - filter - diff - gc All these functions use the following COMMON OPTIONS to define what is used as filter sequence: - species=name Use species 'name' as filter. - SAI=name Use SAI 'name' as filter. - first=1 Use 1st input stream as filter for all other input streams. - pairwise=1 Use 1st input stream as filter for 2nd stream, 3rd stream as filter for 4th stream, and so on. - align=ali_name Use alignment 'ali_name' instead of current default alignment (only meaningful together with 'species' or 'SAI'). Note: Only one of the parameters 'species', 'SAI', 'first' or 'pairwise' may be used. diff(options) Calculates the difference between the filter (see common options above) and the input stream(s) and write the result to output stream(s). Additional options: - equal=x Character written to output if filter and stream are equal at a position (defaults to '.'). To copy the stream contents for equal columns, specify 'equal=' (directly followed by ',' or ')') - differ=y Character written to output if filter and stream don't match at one column position. Default is to copy the character from the stream. filter(options) Filters only specified columns out of the input stream(s). You need to specify either - exclude=xyz to use all columns, where the filter (see common options above) has none of the characters 'xyz' or - include=xyz to use only columns, where the filter has one of the characters 'xyz' All used columns are concatenated and written to the output stream(s). change(options) Randomly modifies the content of columns selected by the filter (see common options above). The options 'include=xyz' and 'exclude=xyz' work like with 'filter()', but here they select the columns to modify - all other columns get copied unmodified. How the selected columns are modified, is specified by the following parameters: - change=percent percentage of changed columns (default: silently change nothing, to make it more difficult for you to ignore this helpfile) - to=xy randomly change to one of the characters 'xy'. Hints: - Use 'xyy' to produce 33% 'x' and 66% 'y' - Use 'xxxxxxxxxy' to produce 90% 'x' and 10% 'y' - Use 'x' to replace all matching columns by 'x' I think the intention for this (long undocumented) command is to easily generate artificial sequences with different GC-content, in order to test treeing-software. SPECIALS exec(command,var1,...) Execute external (unix) command WARNING !!!!!! You should not use this command for NDS !!! because any slow command will disable all editing -> You never can remove this command from the NDS. Even arb_panic will not easily help you. command(escapedCommand) applies 'escapedCommand' to all input streams using - ACI, - SRT (if starts with ':') (see LINK{parser.hlp}) - or as REG (if starts with '/') (see LINK{regexpr.hlp}). In escapedCommand you have to escape '\' and '"' by preceding a '\'. If you nest calls you have to use multiple escapes (e.g. inside an export filter - which is in fact an SRT expression - you'll have to use double escapes). eval(escapedCommand) the 'escapedCommand' is evaluated (using an empty string as input) and the result is interpreted as command and gets applied to all input streams. Example: Said you have two numeric positions stored in database fields 'pos1' and 'pos2' for each species. Then the following command extracts the sequence data from pos1 to pos2: sequence|eval(" \"mid(\";readdb(pos1);\";\";readdb(pos2);\")\" ") How the example works: The argument to eval is the escaped version of the command '"mid(" ; readdb(pos1) ; ";" ; readdb(pos2) ; ")"'. If pos1 contains '10' and pos2 contains '20' that command evaluates to 'mid(10;20)'. The resulting ACI for the example species is 'sequence|eval("mid(10;20)")' which is equivalent to 'sequence|mid(10;20)'. define(name,escapedCommand) defines a ACI-macro 'name'. 'escapedCommand' contains an escaped ACI command sequence. This command sequence can be executed with do(name). do(name) applies a previously defined ACI-macro to all input streams (see 'define'). 'define' followed by 'do' works similar to 'command'. See embl.eft for an example using define and 'do' origin_organism(escapedCommand) origin_gene(escapedCommand) like command() but readdb() etc. reads all data from the origin organism/gene of a gene-species (not from the gene-species itself). This function applies only to gene-species! SECTION Future features statistic creates a character statistic of the sequence (not implemented yet) EXAMPLES sequence|format_sequence(firsttab=0;tab=10)|"SEQUENCE_";dd fetches the default sequence, formats it, and prepends 'SEQUENCE_'. sequence|remove(".-")|format_sequence get the default sequence, remove all '.-' and format it sequence|remove(".-")|len the number of non '.-' symbols (sequence length ) "[";taxonomy(tree_other,3);" -> ";taxonomy(3);"]" shows for each species how their taxonomy changed between "tree_other" and current tree equals(readdb(tmp),readdb(acc))|select(echo("tmp and acc differ"),) returns 'tmp and acc differ' if the content of the database fields 'tmp' and 'acc' differs. empty result otherwise. readdb(full_name)|icontains(bacillus)|compare(0)|select(echo(..),readdb(full_name)) returns the content of the 'full_name' database entry if it contains the substring 'bacillus'. Otherwise returns '..' BUGS The output of taxonomy() is not always instantly refreshed. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/concatenate.hlp���������������������������������������������������0000644�0126641�0000013�00000006327�11440743001�021371� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE CONCATENATION of ALIGNMENTS / SEQUENCES DESCRIPTION With the help of concatenation function, one can concatenate the aligned sequences, which are contained in the same species preserving the ALIGNMENT. Before using concatenation function make sure that the species contains more than two aligned or unaligned sequences. Specify new name for the newly created concatenated alignment in the field "New Alignment Name" (Make sure that the new alignment name starts with "ali_....."). Use "Sequence Type" button to load the desired type of alignments/sequences from the database. Use Arrow buttons (located in between the lists) to select or remove the alignments into/from the "Alignments to be concatenated" list. You can also rearrange the order of concatenation of alignments by using "up" and "down" arrow keys (located by the side of "Alignments to be concatenated" list) before performing actual concatenation. Pressing CLEAR LIST button clears the alignments list selected for concatenation. Use "Alignment Separator" to specify the tag/separator between the alignments to be concatenated. Pressing CONCATENATE button performs concatenation function for the alignments selected in the order of the alignments present in the "Alignments to be concatenated" list. Use MERGE SIMILAR SPECIES button to create new species by merging similar species (for e.g., Similar species having different sequence alignments). Additionally, you can do the same from the "Species" menu clicking on "Merge Similar Species" item. If the database contains similar species with different sequence alignments use "MERGE and CONCATENATE" button to generate new species by merging similar species in the database and concatenating the different sequence alignments contained in the newly merged species. NOTES If problems occurs during "Merging similar species" and/or "Concatenation", try the following - 1. Search the database for the "merged_species" field and mark the listed species, if any, and delete them. 2. Then search the database for the <criterion_field> to use for merging similar species. Mark the resulting species and perform merging similar species. 3. Usually newly generated (merged) species are marked and use the same to perform concatenation. CAUTION: Make sure that the new alignment name DOES NOT coinside with the selected alignments (names) to be concatenated !!! EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/configuration.hlp�������������������������������������������������0000644�0126641�0000013�00000003133�11213220015�021735� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB e4.hlp SUB mark.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile @@@ ******** TITLE Selections of Species (Configurations) OCCURRENCE ARB_NTREE/Species/Selections DESCRIPTION Each species is either marked or unmarked. All species that are marked are called marked species. In order to handle multiple sets of marked species we use configurations ( = selections of species). Several operations are possible with the configurations: - STORE (save a (new) configuration) - EXTRACT (= unmark all, then mark those from configuration) - MARK/UNMARK/INVERT (mix currently marked species with those marked in configuration) - COMBINE (unmarks all that are not in configuration. This does an intersection between the currently marked species and the selected configuration) - DELETE (delete a configuration) - RENAME (rename a configuration) Each configuration has a unique name and is part of the database. The current tree displayed within the ARB_NT main window is stored with the configuration. ARB_EDIT4 may load all marked species or all species stored in a configuration. NOTES Saving the database means also saving all configurations. �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/configurations.hlp������������������������������������������������0000644�0126641�0000013�00000001301�11440743001�022122� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Help on configurations OCCURRENCE Anywhere (buttons with disk icon) DESCRIPTION This provides a general way to store and restore some settings from the previous window. NOTES To save stored settings permanently, SAVE PROPERTIES! EXAMPLES None WARNINGS None BUGS Deleted settings remain in properties (inaccessible!) �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/consensus_def.hlp�������������������������������������������������0000644�0126641�0000013�00000005514�11241731454�021750� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE How is the consensus calculated? OCCURRENCE ARB_NT/SAI/Create SAI using../Consensus ARB_EDIT4/Properties/Consensus definition DESCRIPTION What to do with gaps? If a column contains only gaps the result will be shown as '='. Define whether to use or to ignore gaps entirely: If you count gaps and the gap frequency exceeds 'threshold for gaps', the result will be shown as '-'. If the switch is 'off', the algorithm will virtually remove all gaps. That means if you have a column with two 'A's and 500 gaps the program thinks of 100% 'A'. (If the switch is 'on', the relative number of 'A's would be 2%) Simplify using IUPAC Define whether the most frequent base or the IUPAC code (more then one base) should be shown at the particular position by pressing the respective checkbox after the 'simplify' prompt. Characters are used for IUPAC encoding only if their frequency exceeds 'threshold for character'. Example: If you have 40% 'A', 10% 'C', 40% 'G' and 10% 'T' and 'threshold for character' is set to 20%, the program looks for a iupac code only for 'A' and 'G'. Note: The IUPAC codes are displayed after pressing the 'show IUPAC' button. Show as upper or lower case? Define whether the character is displayed in upper or lower case or whether a dot is displayed. Define upper and lower limit: If the percentage of a character is above or equal to the upper limit, the character is displayed in upper case. If the percentage of a character is above or equal to the lower limit and below the upper limit, the character is displayed in lower case. Otherwise a dot ('.') is displayed. NOTES None EXAMPLES None WARNINGS IUPAC symbols in source sequences are ignored. BUGS 'LINK{consensus.ps}' is broken for more than 10 years now. Seems that nobody ever took a look. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/consensus.hlp�����������������������������������������������������0000644�0126641�0000013�00000002256�11440743001�021122� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp UP extended.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB whatever.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Consensus OCCURRENCE ARB_NT/SAI/Consensus DESCRIPTION Calculates consensus for marked or all sequences. 1. Choose an 'alignment' (see LINK{glossary.hlp}) from the 'Alignment' subwindow. 2. Define whether 'marked' (see LINK{glossary.hlp}) or all sequences should be used by pressing the respective checkbox after the 'species' prompt. 3. See LINK{consensus_def.hlp} for consensus details. 4. Define a name for the consensus sequence by selecting one from the 'SAI' subwindow or by typing it to the 'Name of New SAI' field. NOTES The consensus sequence is stored within the database as an 'SAI' entry and automatically edited with 'ARB_EDIT'. EXAMPLES None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/consensus.ps.gz���������������������������������������������������0000644�0126641�0000013�00000007602�11213220015�021371� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������‹�>æ:�íÚýsÛÈyÀñþÌ¿bãžZi*Фd;¶çâ¿È‰3VÑ|{z¬(Ä € EE£ÿ=ϳ €�EžïÎm~ú~nÎ&€Åbß°oðÞï¦ÃWQvi‡ÇGãÁÞÞǸJì 3]\~´ŸL¶¨òEe&ÏŸ?9?>š<{1™œ<–`o TYáæå¡ñ^—YñÑ®ªCó> $Üël‘Fq:{­^˜ý ²it §§ÁÌ–Ýo³p1·iõ.K«Þ…Ó4z“ÍõR9ìýÎ öŒy»Œóò(/234q&‹ÈFF“lf®²B¯J[ g6µ…D™iVVa畹Š[JÚ\To²ü¶ˆgוÙ$ŸÏžŸOfĘ©-æqYÆYjªÌ„rŸ‰K3+‚Tã/3“déÌ¥©®m÷qaY½_§Ye [fId$•‹Rî‹SHÉ`ÆA¢¹ˆa%OÔ{¾û“ "+¥<ªä9¡ŒÎO§¹xÿñ/çŸG¯Î_’ørtm“|fiiÓr!ÅR.ÍäÈýgŽÇãñh2Ÿ˜ñó'/&ÏÌ-%¶¹9]åæ;yNy[VvÅaeF¥­ò ü"f¾¤ÙMjÌž¦ÓEÜšæÒ\²dâ+W¥ –Aœ—‰s7*ƒ¥­C¹@á¢(¤êš#{e$œ©Š…5ëgÝ˹øj`£ïšª3ÇcãÒ$÷ ´ª^Û™VT·“ÁÈ7Á¥ù˜;‰e9/« Z”&Ïr÷ÿØØÿu4wfù¥‹kàíû4®¤èã¿Û ¹×šû:ø¨ þçìÒhÆ|Rœ¨¶ÇTŸmãqm»©~N|e“ÒîÍeœFmfOõw›U9úU•W§ÍEÿáÒúä­mR&áê_ݬÖa~&}›¹Œ¤åÒªÌÓÇFþª«ÚŸŽÓJ×ι¾2õ_u~ÝKm/³™ÞZH¯§¶”ó#wöL›ÒU ép7 FSyDõ^"Ö¢hž.¥4ôB7±uØ© ºÿSzàØ«dQ^÷³åƒþx¦•Wºð>:y÷}Ãg¦.ù¡9h4Õ!?O\ßÐܤ‰Üÿi¿Êª ùéà°sK÷²vý«R¥ò§]…צ\\šð…q*eµ;ÊÄ.­<ñàAúY–Üš~¾“,ˆêÕ]v5àJ£­ ß´ºwÕ­MR½»Õì»Æ¢©6Ù•ëó¤+õ½öi$¼9 ¾HÿR”·ÚÙ6‘Äú~IGw4]j ïÚ+¦ó¤ÑÊ_s…W_sM¡éCr|¤ÿ˜ºL΂Y_Åa Q›•ÇÛwVªîËßÏ„ÆÔM{ý¤æ ö:õêÅØ¼‡ÝV’c½Ãìk‹ÎŠ ˆ“ÛÍE2®Éû; 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The left part of the 'Expert Window' is similar to the 'Consensus' window the right part contains descriptions of the parameters as well as the buttons and subwindows to adjust them. After setting the parameters, press the 'Go' button. NOTES The consensus sequence is stored within the database as an 'SAI' entry. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/csp_2_gnuplot.hlp�������������������������������������������������0000644�0126641�0000013�00000004275�11213220015�021654� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Export Column statistics to GnuPlot OCCURRENCE ARB_NT/SAI/Etc/Export Column statistics to GnuPlot DESCRIPTION - Select a valid column statistic - Select what kind of information should be extracted Information Formula ------------------------------------- G+C ratio (G+C) / N G+A ratio (G+A) / N Rate mutation_sum / frequency_sum TT ratio (min.mutations + transversions) / transversions Most freq. base F1 / N 2nd freq. base F2 / N 3rd freq. base F3 / N Least freq. base F4 / N A ratio A / N C ratio C / N G ratio G / N TU ratio (T+U) / N Helix boolean (helix or not helix) Legend: ------- A/C/G/T/U = amount of A/C/G/T/U's in each column N = total amount of bases in each column Fx = F1 = count of most freq. base, ..., F4 of least freq. base - Select if you like smoothing of the values (before they are written to file) - Select a filter - Select a filename (specify without extension, which will be appended by ARB) - Press 'Save' to save to a file or Press 'Save & View' to save and start gnuplot In the last case you have some more options: - Select gnuplot-internal smoothing function - Select if to overlay other statistics (which were saved before) NOTES Pressing 'Delete all overlayed files' will delete all the files, which would be overlayed, if you press 'Save & View'. EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/del_list.hlp������������������������������������������������������0000644�0126641�0000013�00000002101�11213220015�020657� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP sp_search.hlp UP gene_search.hlp UP security.hlp UP arb_ntree.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE DELETE LISTED SPECIES/GENES OCCURRENCE ARB_NT/Species/Search: DELETE LISTED ARB_NT/Genes/Search: DELETE LISTED DESCRIPTION Deletes all database entries (sequence and additional information stored within fields) assigned to the listed species/genes. NOTES A protection level has to be selected from the Protection menu of the main window (ARB_NT/Protection) equal to or higher than that assigned to the selected alignment (ARB_NT/ali_*; third broad rectangular button in the upper part of the main window). EXAMPLES None WARNINGS It is recommended to reset the protection level after deleting entries to prevent unintentional loss of data. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/dewachter_ift.hlp�������������������������������������������������0000644�0126641�0000013�00000001070�11213220015�021674� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tags.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: dewachter OCCURRENCE ARB_IMPORT DESCRIPTION Tries to read files produced by the deWachter group. Preserves as much additional data as possible. NOTES Nearly all output fields are tagged with [DEW] ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/dist.hlp����������������������������������������������������������0000644�0126641�0000013�00000007655�11440743001�020055� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mark.hlp UP phylo.hlp #Please insert subtopic references (line starts with keyword SUB) SUB user_matrix.hlp SUB savedef.hlp SUB props_frame.hlp SUB sel_fil.hlp SUB awt_csp.hlp SUB props_nds.hlp SUB bootstrap.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Neighbour joining OCCURRENCE ARB_NT/Tree/Neighbour joining DESCRIPTION Reconstructs a tree for all or marked species by first calculating binary distances and subsequently applying the neighbour joining method. The tree topology is stored in the database and can be displayed within the tree display area of the 'ARB_NT' window. 1. Mark all interesting species. 2. Select all or marked species from the 'Select Species' menu of the 'NEIGHBOUR JOINING' window. 3. Select Alignment from the 'Select Alignment' subwindow of the 'NEIGHBOUR JOINING' window. 4. Display the 'Select Filter' window by pressing the button after the 'Filter' prompt and define an alignment- associated mask which defines alignment positions to include for treeing. 5. Define Weights: !!! not implemented !!! 6. Select rate matrix: !!! not implemented !!! 7. Type characters for the exclusion of alignment postions to the 'Exclude Column' subwindow. The positions are excluded from the calculation of binary distance values if one of the specified characters is present in one or both sequences. The described function acts as a second filter and affects only the particular sequence pairs, not the whole alignment. 8. Select the type of distance correction from the 'Distance Correction' submenu. You can use the program to detect the best correction for you by pressing the AUTODETECT button. none: Differences/Sequence length. May be a good choice for short sequences (length < 300 ) similarity: 1.0 - Differences/Sequence_Length jukes-cantor: Accounts for multiple base changes, assumes equal base frequencies. Good choice for medium sized sequences ( 300 - 1000/2000 sequence length ) felsenstein: Similar to jukes-cantor transformation. Allows unequal base frequencies. ( length > 1000/2000 ) olsen: As Felsenstein, except the base frequencies are calculated for each pair of sequences. !!! The other correcting functions are in an experimental state. Wait for new release.!!! 9. Select a name for the tree from the 'Trees in Database' subwindow or type a new tree name. The tree name has to be 'tree_*'. An existing tree with that name will be deleted. 10. Press the 'CALCULATE TREE' button 11. Now you may display the new tree in the ARB_NT main window by selecting its name from the <Tree/Select> subwindow. If its name is already selected, you will not need to reselect it. The distance matrix can be written to an ascii file: Press the <SAVE MATRIX> button to display the 'SAVE MATRIX' window. Select a file from the 'Directories and Files' subwindow or type a file name to the 'FILE NAME' subwindow. Press the <SAVE> button. The suffix displayed in the 'SUFFIX' subwindow is added to the typed file name and defines the selection of files listed in the 'Directories and Files' subwindow. @@@ Calculate Compressed Matrix NOTE Read the NDS help text NOTE Computing time can be estimated using the following formula: time = (Sequence_Length * Nr.of.Spec * Nr.of.Spec)/ Computer Power Examples: Sparc 10, 74 Sequences, length 8000 characters -> 10 Seconds WARNINGS Don't try to build a tree with the 'similarity' distance correction selected. BUGS None �����������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/dssp_ift.hlp������������������������������������������������������0000644�0126641�0000013�00000015262�11213220015�020707� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP arb_ntree.hlp UP arb_import.hlp UP pfold.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: dssp OCCURRENCE ARB_IMPORT DESCRIPTION The three filters 'dssp_all.ift', 'dssp_2nd_struct.ift' and 'dssp_sequence.ift' import protein secondary structure information and/or amino acid sequences from DSSP files. In addition, some of the associated information is extracted, too. The following fields are created (see also example below): - name: [PDB ID]_[Chain char] (extracted from 'HEADER' and the optional chain character in 'RESIDUE') - full_name: [PDB ID] (extracted from 'HEADER') Chain [Chain char] (extracted from the optional chain character in 'RESIDUE'); [Description] (extracted from 'HEADER' and 'COMPND') - tax: [Organism description] (extracted from 'SOURCE') - author: [Author(s)] (extracted from 'AUTHOR') - date: [Date] (extracted from 'HEADER') - remark: [Remark] (extracted from headline and 'REFERENCE') - ali_[alignment name]/data: [Amino acid sequence or secondary structure] (extracted from 'AA' or 'STRUCTURE') - sec_struct: [Secondary structure] (extracted from 'STRUCTURE') SECTION The DSSP code - H = alpha helix - B = residue in isolated beta-bridge - E = extended strand, participates in beta ladder - G = 3-helix (3/10 helix) - I = 5-helix (pi helix) - T = hydrogen bonded turn - S = bend NOTES - If a protein consists of several chains these are extracted individually and stored as different species. - The filter 'dssp_2nd_struct.ift' fills 'ali_[alignment name]/data' with the protein secondary structure and 'dssp_sequence.ift' as well as 'dssp_all.ift' fill it with the amino acid sequence. - The field 'sec_struct' is only used by the filter 'dssp_all.ift'. - Gaps-characters ('-') are inserted where no secondary structure is present. - The DSSP files are first piped through the script 'format_dssp.pl' (in "$ARBHOME/ARB/PERL_SCRIPTS/ARBTOOLS/IFTHELP") to format the files for use with the filters 'dssp_all2.ift2', 'dssp_2nd_struct2.ift2' and 'dssp_sequence2.ift2'. - Reference to DSSP can be found in LINK{pfold.hlp} in section 'REFERENCES' [2]. EXAMPLES The DSSP format looks like this: ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-JUN-2003 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA BINDING PROTEIN 22-NOV-99 1DG1 . COMPND 2 MOLECULE: ELONGATION FACTOR TU; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ABEL,M.YODER,R.HILGENFELD,F.JURNAK . ... ... # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 G K 0 0 143 0, 0.0 65,-0.2 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 143.2 13.7 48.3 -15.2 2 10 G P - 0 0 38 0, 0.0 65,-2.6 0, 0.0 2,-0.6 -0.404 360.0-137.6 -64.4 148.4 12.2 51.7 -14.1 3 11 G H E -a 67 0A 88 63,-0.2 2,-0.3 191,-0.1 65,-0.2 -0.949 24.0-180.0-114.6 117.8 10.1 51.4 -10.9 4 12 G V E -a 68 0A 0 63,-2.0 65,-2.3 -2,-0.6 2,-0.5 -0.855 18.2-141.7-116.0 149.5 6.8 53.4 -10.8 5 13 G N E +a 69 0A 36 -2,-0.3 86,-2.5 63,-0.2 87,-1.2 -0.949 31.8 154.0-113.1 127.7 4.2 53.5 -8.0 6 14 G V E -ab 70 92A 0 63,-2.5 65,-2.0 -2,-0.5 2,-0.3 -0.820 16.5-171.5-139.8-179.7 0.5 53.6 -8.8 7 15 G G E -ab 71 93A 0 85,-0.5 87,-2.2 63,-0.3 2,-0.3 -0.969 28.1-103.8-167.9 164.5 -2.7 52.6 -7.2 8 16 G T E + b 0 94A 0 63,-1.9 65,-0.4 -2,-0.3 2,-0.3 -0.735 37.7 175.7 -97.6 147.4 -6.4 52.2 -7.9 9 17 G I E + b 0 95A 3 85,-1.9 87,-2.6 -2,-0.3 2,-0.2 -0.962 21.1 98.6-147.2 156.0 -8.8 54.9 -6.7 10 18 G G - 0 0 0 -2,-0.3 87,-0.1 85,-0.2 97,-0.1 -0.829 69.1 -41.6 148.3 177.9 -12.6 55.4 -7.1 11 19 G H S > S- 0 0 35 85,-0.4 3,-1.4 -2,-0.2 5,-0.3 -0.330 72.6 -81.6 -74.1 153.0 -15.9 54.9 -5.4 12 20 G V T 3 S+ 0 0 58 1,-0.2 -1,-0.1 2,-0.1 94,-0.1 -0.094 111.7 15.7 -52.8 150.0 -16.8 51.7 -3.5 13 21 G D T 3 S+ 0 0 145 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.575 91.3 115.4 59.3 12.4 -17.9 48.6 -5.4 14 22 G H S < S- 0 0 4 -3,-1.4 -2,-0.1 82,-0.1 85,-0.1 0.789 92.2 -97.1 -80.7 -25.6 -16.7 50.1 -8.6 15 23 G G S > S+ 0 0 11 -4,-0.2 4,-2.5 81,-0.1 5,-0.2 0.577 75.0 138.4 123.2 16.6 -14.0 47.5 -9.1 16 24 G K H > S+ 0 0 12 -5,-0.3 4,-2.7 1,-0.2 5,-0.1 0.931 82.3 40.1 -55.3 -48.3 -10.7 48.7 -7.8 17 25 G T H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 114.0 51.1 -70.8 -40.4 -9.8 45.4 -6.2 18 26 G T H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 113.8 47.6 -64.1 -39.4 -11.1 43.1 -9.0 19 27 G L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.955 107.8 53.8 -66.2 -49.6 -9.1 ... ... The extracted ARB database entry looks like this (for alignment with the name 'ali_prot' and imported with 'dssp_all.ift'): name S6: 1DG1_G full_name S0: 1DG1 Chain G; RNA BINDING PROTEIN; MOLECULE: ELONGATION FACTOR TU tax S0: ORGANISM_SCIENTIFIC: ESCHERICHIA COLI author S0: K.ABEL,M.YODER,R.HILGENFELD,F.JURNAK date S0: 22-NOV-99 ali_prot %0: ali_prot/data S0: KPHVNVGTIGHVDHGKTTL... sec_struct S0: --EEEEEEE-STTSSHHHH... remark S0: === Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2008 DSSP program by: W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 ... ... WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/e4_block.hlp������������������������������������������������������0000644�0126641�0000013�00000004440�11440743001�020561� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP e4.hlp #Please insert subtopic references (line starts with keyword SUB) SUB e4_replace.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_EDIT4 Block Operation OCCURRENCE ARB_EDIT4/Block DESCRIPTION This menu allows you to perform different block operations. All block operations work on what we call 'Selected Species'. To select some species use the right mouse button on the name or sequence data of the species/groups. More selection functions are available in the first section of the Block menu: - 'Deselect all' de-selects all species - 'Select all' selects all species (in middle area) - 'Invert all' inverts selection of all species (in middle area) - 'Invert group' inverts selection of all species in group - 'Line block <-> column block' toggles blocktype (see below) Use the second section of the block menu to copy selection to marks or vv. [Please consider the difference between the following terms: - Marked species: species marked in ARB_NT - Selected species: species marked in ARB_EDIT4 - Current species: species under cursor ] Several actions (third section of Block menu) can be performed on the selected block. These actions can be performed repeatedly by typing the number of repeats into the editor window (check 'Properties/Options/Use digits to repeat edit commands?') There are 2 types of selected blocks: - Line blocks include the whole sequence. To activate a line block use 'ARB_EDIT4/Block/Deselect all' and right-click on the species name. - Column blocks include only a part of the sequence. To activate a column block right-click on the sequence data. Add/remove species to/from selected: [All clicks below are right clicks!] - You can add or remove species by clicking on their name. - The first click on a group name will select the whole group (group name is colored), the second click will select all species contained in the group and the third click will de-select all. - click on group bracket will deselect all in group EXAMPLES None WARNINGS None BUGS None ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/e4_consensus.hlp��������������������������������������������������0000644�0126641�0000013�00000001253�11213220015�021477� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Consensus definition OCCURRENCE ARB_EDIT4/Properties/Consensus definition DESCRIPTION Toggle the switch at the bottom of the window to toggle display of consensus for each group. See LINK{consensus_def.hlp} for details NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/e4.hlp������������������������������������������������������������0000644�0126641�0000013�00000015377�11440743001�017422� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP alignment.hlp UP security.hlp UP helix.hlp UP ecoliref.hlp UP configuration.hlp #Please insert subtopic references (line starts with keyword SUB) SUB man_arb_edit4.hlp SUB arb_edit4.hlp SUB e4_search.hlp SUB e4_replace.hlp SUB e4_block.hlp SUB nekey_map.hlp SUB helixsym.hlp SUB pfold.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_EDIT4 - Sequence primary and secondary structure editor OCCURRENCE ARB_NT/Sequence/Edit marked sequences DESCRIPTION The editor allows you to view and modify the sequences of 'marked species' or 'a selection of species' and 'SAI' (sequence associated information) stored in the data base. Potential secondary structure is automatically checked and the information can be displayed with the primary structure. In addition, an online column statistic may help you find sequence and alignment errors. The editor permanently communicates with the database and other ARB tools. Every change made by the editor is immediately exported to the database. All sequence changes made by other ARB tools are exported to the editor every 5 seconds. Multiple editors can be used synchronously. Display: First Column: Name of sequences or name of groups. Second C. Protection level and subtype of sequence. Last c. Sequence and secondary structure and more. Cursor: The cursor can be moved using the mouse or the arrow keys. The current cursor positions with respect to the alignment and the E. coli sequence (there has to be an 'SAI' entry: ECOLI) are indicated after the 'Position' and 'E.coli' prompts in the upper part of the 'ARB_EDIT4' window. These 3 positions and the IUPAC-display refer to the position RIGHT of the cursor. Position counting now starts with 1 (too many people were confused about position counting starting at position 0). Moving entries: To move an individual entry, position the cursor on the name, keep the left mouse button pressed, move the entry to the desired position, and release the button. Any entry can be fixed (keeps its position while scrolling vertically) at the top of the editing area by moving it somewhere above the double line (=top area). Undo/Redo: This undoes/redoes everything you did. Jump: If you selected a species in any other ARB component (i.e. in the Tree or in the Search Hitlist), you can jump to the selected species using this button. In general the editor will automatically jump to the selected species, unless the species is in a folded group. In this case all necessary groups will be unfolded. Get: If the species is already in the editor 'Get' does the same as 'Jump'. If the species is NOT loaded in the editor it will be inserted into the group 'More Sequences'. If you like to load several species into the editor, mark those species and use 'ARB_EDIT4/Edit/Load marked species' Editing: Protection: To perform editing, the protection level of the particular entry ('EDIT/Set protection of selected species') has to be set below or equal the global protection level (use the 'Protect' button on the menuboard). Note: There are two global protection levels: one in edit-mode and another one in align-mode. Modes: ARB_EDIT4 supports 2 modes: Align-mode and Edit-mode. To toggle between these two modes use the 'Align/Edit' button on the menuboard or press CTRL-E. Align-mode: Only gap symbols can be inserted ('-', '.' or 'Spc' key) or deleted ('Del' or 'Backspace' key) Sequence data cannot be modified - it only can be checked in this mode. Sequence check is performed by typing nucleotide (amino acid) symbols. Discrepancies between typed and existing symbols are indicated by beeping. Edit-mode: Edit-mode is divided into two submodes: Insert-mode and Replace-mode. Toggle between these submodes with the 'Insert/Replace' button on the menuboard or with CTRL-I. In Replace-mode inserted Nucleotides/gaps overwrite existing Nucleotides/gaps. In Insert-mode inserted Nucleotides/gaps do not overwrite, instead the whole sequence is shifted. Direction: ARB_EDIT4 should perform any editing function into both directions - forward and backward. To toggle the editing direction use the "5'->3'" button on the menuboard. Repeat editing functions: Nearly every editing function can be performed repeatedly by typing some digits before you perform the editing function. Example: '9-' inserts nine '-' If you need to insert digits, use the toggle in 'Properties/Options'. Key mapping: Nucleotide (amino acid) and gap symbols can be assigned to any of the letter and symbol keys by using the 'Key Mapping' facility ('Properties' menu). Moving nucleotide (amino acid) symbols: SHIFT + LEFT/RIGHT Push or pull a coherent sequence stretch next to the cursor. ALT + LEFT/RIGHT Move a single nucleotide (amino acid) symbol. If you move your cursor towards a gap, the next nucleotide (amino acid) symbol in movement direction is fetched and moved to the actual position. If you move your cursor towards a nucleotide (amino acid) symbol, it will jump aside the next nucleotide (amino acid) symbol. Other keys: CTRL+LEFT/RIGHT Jumps to the start of the next gap-region or non-gap-region. You may configure whether it always jumps over gap-regions. CTRL+UP/DOWN Like Ctrl-Left/Right, but vertical. HOME/END Jumps to the start/end of sequence. CTRL+HOME/END Jumps to the first/last sequence. Messages: Many (less serious) errors will not be announced by a popup window. Instead they appear at the small text window in the upper-right corner of the editor window. You can press one of the small buttons at the left side of this text window: - press the small lens to see more errors - press the small X to get rid of all errors EXAMPLES None NOTES You may use the META key instead of ALT (especially if there is no ALT key :) WARNINGS The key mappings may conflict with some window managers (eg. olvwm). Disable the CTRL-LEFT/RIGHT keys of the window manager. If you perform major database modifications such as - adding new SAIs you have to QUIT and restart the editor. BUGS - sometimes the editor crashes after aligning - some update problems (please report system and circumstances) (workaround: resize the editor window) �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/e4_options.hlp����������������������������������������������������0000644�0126641�0000013�00000005542�11440743001�021166� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP e4.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB xxx.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_EDIT4 Options OCCURRENCE ARB_EDIT4/Properties/Options... DESCRIPTION This window allows you to adjust some display parameters SECTION Online Sequence Compression Online Sequence Compression (OSC) is a way to hide column positions (normally: column positions containing only or many gaps) in order to simplify editing of alignments with wide gaps. OSC affects only the manner how sequences are DISPLAYED in the editor and does not affect the sequences themselves. Available modes: Show all gaps: Nothing is hidden. Show some gaps: For each column range (consisting of gaps only) a different amount of gaps is shown, depending on the width of that column range. In detail: sequence has less than gaps => display that many gaps 100 G/10+1 1000 G/100+1 else G/1000+1 Hide all gaps: Hide no nucleotides: All column ranges consisting of gaps only are hidden. Hide columns with less than X% nucleotides: This mode really makes nucleotides disappear from display. Use with care! Those above mentioned column values are calculated on the basis of all sequences currently loaded in the editor. Only sequence data is taken into respect while calculating gap positions. It is possible, that parts of a SAI get hidden by using OSC. SECTION Layout Sequence-helix spacing: Extra distance between sequence data and helix display (Default=0). Sequence-sequence spacing: Extra distance between two sequences (Default=0). Note: You may use negative values for the above settings to get a very compact display. Note that this will cause some minor drawbacks like cut-off underlengths (e.g. with small 'g') and character overlapping. Additional compaction is possible by switching off the helix display (see LINK{helixsym.hlp}). SECTION Scroll-Speed Define the horizontal and vertical scroll speed for mouse scrolling (with middle mouse button). The default scroll-speed is 10/10, which scrolls with same speed as the mouse is moved. SECTION Editing Gap characters: set of characters which are handled as "gaps" EXAMPLES None WARNINGS None BUGS None ��������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/e4_replace.hlp����������������������������������������������������0000644�0126641�0000013�00000001601�11440743001�021076� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP e4.hlp #Please insert subtopic references (line starts with keyword SUB) SUB e4_block.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_EDIT4 Replace OCCURRENCE ARB_EDIT4/Block/Replace DESCRIPTION This menu allows you to replace parts in the sequence data. The selected range (see subtopics) will be searched for occurrences of the string given in the first input field. If found it will be replaced by the string given in the second input field. You can use '?' as a joker for any character in the search pattern. EXAMPLES None WARNINGS There are no further questions if you press GO. If you pressed GO accidentally, press UNDO to clean up the mess. BUGS None �������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/e4_search.hlp�����������������������������������������������������0000644�0126641�0000013�00000005505�11440743001�020737� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search OCCURRENCE ARB_EDIT4/Edit/Search DESCRIPTION Search Search patterns In the text field you can enter multiple search patterns. Different patterns are separated by newlines or commas. '?' is treated as single letter wildcard '#' is an end-of-line comment Text written behind # will not be used for search. Instead this text will be displayed in the message window when you position your cursor on a found pattern. Mark species with matches Marks all species which match one of the current search patterns. Does not unmark rest on species. Last/Next Jumps to the last/next occurrence of any of the given patterns. You can repeat your last search by pressing CTRL-S. Show ? If checked, the found parts are shown in different background colors (defined at Properties/Data Search) If the different search patterns overlap, they are shown in the following order: User (shown above all others) Probe Primer (shown below all other) Open folded? If checked, the Last/Next-Button will open folded groups, to jump to the next occurrence. Otherwise search will jump over folded groups. Auto jump? If checked, the cursor will automatically jump to the nearest occurrence, if you change the search pattern or other search parameters. Ignore gaps in sequence? If checked, gaps in sequence will be ignored. (ACGU will find A-CG-U, AC---GU, ...) Ignore gaps in pattern? If checked, gaps in the search pattern will be ignored. (A-CG-U, AC---GU, ... will find ACGU) Treat T and U as match? If checked, T and U will be treated as equal. (ACGU will find ACGT and vice versa) Ignore case? If checked, a and A, c and C, ... are treated as equal (aCGu will find ACGU, AcgU, acgu, ...) Search for complement? If checked, search will go as well for complemented patterns. Search for reverse? If checked, search will go as well for reversed patterns. Exact! If checked, search will only go for the given combination of 'complement' and 'reverse'. Example: If 'Exact', 'complement' and 'reverse' are checked, search will go only for complemented AND reversed patterns. Allowed mismatches Defines the minimum and maximum allowed number of non-matching base characters. NOTES Found patterns hide possibly activated column statistics. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ebi_ift.hlp�������������������������������������������������������0000644�0126641�0000013�00000001165�11213220015�020472� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: ebi OCCURRENCE ARB_IMPORT DESCRIPTION A well designed import filter for files from EBI NOTES ebiwl is a special version of the ebi input format reader: It reads all (!!!) comments. This may be a lot of data and is normally not needed by simple users. �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ecoliref.hlp������������������������������������������������������0000644�0126641�0000013�00000002244�11440743001�020667� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp UP extended.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE E. coli Reference OCCURRENCE ARB_NT/ARB_EDIT/ETC/Reload Reference DESCRIPTION The SAI entry 'ECOLI' is used by the editor and other programs to detect and display the current cursor position with respect to the homologous position within the E. coli sequence. If you have no SAI 'ECOLI' yet this creates one: Search your ecoli sequence and select it. Press the menu <species/Info(...)> -> SPECIES INFORMATION window pops up. In this window press <SPECIES/COPY>, enter ECOLI in the new name window, press GO, press <SPECIES/Convert to SAI> NOTES After inserting or deleting gaps in the whole alignment (ARB_NT/ Sequence/Admin/INS/DEL CHAR) the reference SAI has to be reloaded by choosing the 'Reload Reference' item from the 'ARB_EDIT/ETC' menu. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ed4_nds.hlp�������������������������������������������������������0000644�0126641�0000013�00000003221�11213220015�020404� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) #Please insert subtopic references (line starts with keyword SUB) #SUB parser.hlp #SUB commands.hlp #SUB acisrt.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Node Display Setup (NDS) OCCURRENCE ARB_EDIT4/Properties/NDS NOTE Read this text carefully. You won't need this function, but it offers many many new possibilities. DESCRIPTION Extracts data from the database entries of every species and builds a user-readable string from that data. This string is used to show the species information at the left side of every sequence in the editor window. It allows you to show part of the sequences, the full_name, the accession numbers and more. Choose the 'NDS' item from the 'ARB_EDIT4/Properties' menu to display the 'NDS' window. Used maximum group depth: Here you define your common maximum group depth. It will be added automatically to the width (see below). Enable field extraction: Select the desired field extraction by selecting one of the toggles at the left border. Description: You may enter a description for each ACI PROGRAM. The intention is to make it more easy for you to remember what every ACI PROGRAM does. Generate new ACI program: Type syntax (see LINK{parser.hlp} and LINK{commands.hlp}) to the 'ACI SRT PROGRAM' subwindow Width: Defines the width of the display in characters. EXAMPLES @@@@@ WARNINGS None BUGS The width of the output is limited to 4000 characters. �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/exec_bug.hlp������������������������������������������������������0000644�0126641�0000013�00000002236�11213220015�020652� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB arb_commands.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE How to fix an 'exec' problem ? OCCURRENCE NDS + ACI exec - command DESCRIPTION If you use the exec command in the NDS window then you might have to wait extremely long: number of species * execution time of the command (5000 species, 1.5 sec/exec) -> 2 hour waiting. SECTION WHAT TO DO The only way the to remove the exec command is: run arb_panic on any shell save the database to /tmp/panic.arb edit /tmp/panic.arb search the exec command replace it by the 'echo' command save file test it with 'arb /tmp/panic.arb' If everything works fine save it in your home directory enter 'arb_clean' on any shell remove /tmp/panic.arb WARNINGS Test your database very carefully because it may not be consistent. Check sequence checksum BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/exportcursor.hlp��������������������������������������������������0000644�0126641�0000013�00000001742�11440743001�021660� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB ne_align_seq.hlp SUB insdelchar.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Synchronize Cursor OCCURRENCE ARB_EDIT/ETC/Synchronize Cursor Position DESCRIPTION Synchronizes the editor and other tools. Choose the 'Synchronize Cursor Position' item from the 'ARB_EDIT/ETC' menu. The cursor position is recognized by other tools such as 'ARB_EDIT/EDIT/Align Sequence' or 'ARB_NT/Sequence/Admin/INS/DEL CHAR'. Choose the 'Don't Synchronize Cursor' item from the 'ARB_EDIT/ETC' menu to restore the default status. NOTES Working with synchronized cursor reduces the performance (speed) of the editor. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/export_format.hlp�������������������������������������������������0000644�0126641�0000013�00000004016�11213220015�021760� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_export.hlp #Please insert subtopic references (line starts with keyword SUB) SUB parser.hlp SUB commands.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Export File Formats OCCURRENCE ARB_NT/File/Export Foreign Format DESCRIPTION The export format description file (*.eft) describes the format. It contains different sections: SECTIONS SUFFIX suffix ;The suggested file suffix # headerinfo ;Header information BEGIN ... ;the main section The main section is part of a 'SRT' (see LINK{glossary.hlp}) conversion (in fact the main section S is replaced by "*=S" and the SRT is started on an empty string). That means: 1. All simple 'text' is written to the output file. 2. All references '*([ref][:|#modifier])' are replaced by the [modified] value of the reference 3. All lines containing the word '$$DELETE_LINE$$' are deleted. 4. Lines ending with a \ are joined with the next line. SPECIAL SECTIONS PRE_FORMAT xxx.eft SYSTEM "command" First a output is created using xxx.eft. Then command is used to convert the result into the wanted result. In command use $< as input-filename $> as output-filename INTERNAL type used for formats hardcoded in ARB_NT. Supported types: 'xml_write' Writes all none-hidden fields to XML. NOTES The best ways to design new formats are: 1. Copy an existing format and modify it step by step. 2. Design a simple format and modify it step by step. EXAMPLES Edit the files in '$ARBHOME/lib/export' WARNINGS Don't change an '*.eft' file, if you don't understand how it works. Be careful when using ':' or '"' symbols. Escape them if those symbols don't have a meaning. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/extended.hlp������������������������������������������������������0000644�0126641�0000013�00000002467�11440743001�020706� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP species.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB helix.hlp SUB ecoliref.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SAI Sequence Associated Information DESCRIPTION The main database divides all sequences into two groups: 1. Species sequences -> Species 2. All other sequences -> SAI ( masks, filters, profiles ) You should keep the number of SAI's small for you cannot: - search SAI's - select a subset of SAI's - exclude SAI's from the ARB_EDITor SECTION IMPLEMENTED SAI's ECOLI A copy of the E.coli sequence. It is used to convert the absolute alignment position into an E.coli-based position and vice versa. (Note: you may use any other sequence instead of ECOLI. The name displayed in the EDITOR can be modified using Properties/NDS) HELIX_NR Helix Numbering HELIX and Helix template NOTE Read LINK{helix.hlp} ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/faligner.hlp������������������������������������������������������0000644�0126641�0000013�00000010472�11440743001�020670� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE The integrated aligners OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Integrated Aligners DESCRIPTION Choose the 'Integrated aligners' item from the 'ARB_EDIT/Edit' menu to display the 'Integrated aligners' window. Currently there are two integrated aligners: 1. Fast Aligner 2. Island Hopper (see Subtopic) The following adjustments and features should apply to both aligners. We did not test everything yet with island hopper, so some of them are broken. Please mail to LINK{devel@arb-home.de} if you find something. SECTION ADJUSTMENTS Align Align selected or all marked sequences. If you type 'Ctrl-A' in the main editor window this option is set to selected species. Reference The aligner needs a sequence as reference. You can either select a fixed species, the consensus of the group containing the species or the next relative found by the selected PT-Server. If you choose 'Auto search by pt_server', the aligner will use the next relative to align. If the nearest relative has gaps where the sequence to align has bases, the aligner will use the 2nd nearest relative or if that one has gaps too, the 3rd nearest, etc. You can define the maximum number of relatives. All used relatives and the number of base positions used from each relative, will be written into the field 'used_rels'. Press 'Settings' to define how relative search works in detail. See LINK{next_neighbours_common.hlp} Range Align only a part or whole sequence. If you align only a part of the sequence, then you have to enter the number of columns around the cursor. Example: If you align 10 columns around position 100 then columns 90-110 get aligned. Turn check The aligner is able to detect sequences which were entered in the wrong direction. With this switch you can select, if you like the aligner to turn such sequences and if it should ask you. NOTE: In two cases turn checking isn't reasonable: If you align only a part of a sequence or if you do not search Reference via pt_server. In both cases turn checking will be disabled. Report The aligner can generate reports for the aligned sequence and for the reference sequence. These reports can be viewed with EDIT4, if you choose File/Load Configuration/DEFAULT_CONFIGURATION The report for the reference sequence (AMI) contains a '>' for every position were the aligner needed an insert in the reference sequence. The report for the aligned sequence (ASC) contains the following characters: '-' for matching positions '+' for inserts (in aligned sequence and in reference sequence) '~' for matching, but not equal bases (A aligned to G, C aligned to T or U) '#' for mismatching positions NOTES This aligner knows about and uses all extended base characters (ACGTUMRWSYKVHDN) for the alignment. In other words: M aligned to R costs no penalty. EXAMPLES None WARNINGS None BUGS If you select the menu entry 'remove all aligner entries' ARB_EDIT4 crashes in most cases. Workaround: 1. Close all groups containing species with aligner entries, so that no aligner entries are visible. 2. Remove all aligner entries 3. Reload configuration ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/FAQS.hlp����������������������������������������������������������0000644�0126641�0000013�00000004144�11440743001�017632� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Frequently Asked Questions OCCURRENCE Everywhere QUESTION I have no tree. How can I get one ?? ANSWER See LINK{no_tree.hlp} QUESTION When I'm using the Phylip tools for building trees, the program skips over the Phylip menu (except in ARB_NT, Phylip Distance Methods). It is, therefore, not possible to use the Phylip options, e.g. to select an outgroup when doing bootstrap analysis. ANSWER There is a second menu-button in the tree-build sub-menu which starts the original phylip programs with interactive access to all parameters. QUESTION It would be nice to be able to close a database without having to exit ARB. ANSWER Sorry, that would be to complicated to program. QUESTION Finally, do you have a 23S alignment, that I could use? I have tried to build my own, based on the sequences available from RDP. But that's only 34 sequences, and when I align my own 23S sequences against those, the computer runs out of memory. I hope this problem can be solved by putting some more memory in the computer (I currently have 64 mb RAM and I'm going to double that). The shorter 16S sequences causes no problems. Anyway, I would be thankfull if a 23S alignment could be made available. ANSWER Wolfgang Ludwig has a 23s alignment with 500 Sequences. I will ask him to give it to me and you. QUESTION When I try to start the aligner V1.0 or V2.0 I get a message: libARBDB.so.2 not found, Aligner failed ANSWER You are probably using the LINUX operating system and have not installed arb under root account. Please login as root and run the arb_install program again, but don't update the old package. NOTE Please also take a look at our Web-FAQ at LINK{http://www.arb-home.de/} ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/fasta_ift.hlp�����������������������������������������������������0000644�0126641�0000013�00000001236�11213220015�021030� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: fasta OCCURRENCE ARB_IMPORT DESCRIPTION The fasta format is the most simple format available. It looks like this: >name_of_species some_additional_information acgtuacgacgcaacg acgcacgtutcat >name_of_second_species acgtuacgacgcaacg NOTES The fasta format is relatively fool prove. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/FORM.hlp����������������������������������������������������������0000644�0126641�0000013�00000000755�11213220015�017640� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Standard help file form OCCURRENCE ARB_NT DESCRIPTION Missing NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gde_flat_ift.hlp��������������������������������������������������0000644�0126641�0000013�00000001167�11213220015�021502� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: gde_flat OCCURRENCE ARB_IMPORT DESCRIPTION A very simple format. Looks like #name_of_species acgtcgacgactgactgacacgacg acgaacgacggacgc #next_name acgacgugactgacugacgcguagcuacgagcacucg NOTES Simple and fool prove format Autodetection may fail ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gde.hlp�����������������������������������������������������������0000644�0126641�0000013�00000060615�11440743001�017644� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������UP arb.hlp UP glossary.hlp UP save.hlp SUB arb_edit.hlp SUB ale.hlp TITLE GDE Interface and Editor DESCRIPTION Starts the GDE Editor designed by Steven Smith. See next chapter of this text for the original help text. As GDE originally used its own built-in database, it had to be slightly modified to run under ARB. So **** READ THE WARNINGS/BUGS CAREFULLY **** WARNINGS As soon as you start GDE, it creates a copy of the selected sequences. That means that you may change the sequences with either GDE or ARB, but not both. Therefore, if you have started GDE, do nothing but sequence editing in GDE till you quit GDE. To really save sequences to disc, you have to send the sequence changes to ARB and then use ARB to save the ARB database. BUGS Many functions, especially -deleting, -moving, -duplicating, -creating, -importing, species do not work correctly. ********* Part of the Original GDE HELPTEXT ****************** SECTION Introduction The Genetic Data Environment is part of a growing set of programs for manipulating and analyzing "genetic" data. It differs in design from other analysis programs in that it is intended to be an expandable and customizable system, while still being easy to use. There are a tremendous number of publicly available programs for sequence analysis. Many of these programs have found their way into commercial packages which incorporate them into integrated, easy to use systems. The goal of the GDE is to minimize the amount of effort required to integrate sequence analysis functions into a common environment. The GDE takes care of the user interface issues, and allows the programmer to concentrate on the analysis itself. Existing programs can be tied into the GDE in a matter of hours (or minutes) as apposed to days or weeks. Programs may be written in any language, and still seamlessly be incorporated into the GDE. These programs are, and will continue to be, available at no charge. It is the hope that this system will grow in functionality as more and more people see the benefits of a modular analysis environment. Users are encouraged to make modifications to the system, and forward all changes and additions to Steven Smith at smith@bioimage.millipore.com. SECTION What's New for this Release GDE 2.2 represents a maintenance release. Several small bugs have been fixed, as well as new editing features and user interface elements. Also, I have tried to update all of the contributed external programs to their latest release. Updated programs include: - Phylip - Treetool - LoopTool - Readseq - Blast - Fasta Improved versions of printing, and translate are included as well. As for new editing features, a useful "yanking" feature has been added by Scott Ferguson from Exxon Research, and the capability to export the colormap for a sequence (see appendices A/C). Among the bugs fixed in this release are: Selection mask problems when exporting to Genbank (fixed in 2.1) Memory leaks (fixed in 2.1) Correct handling of circular sequences More liberal interpretation of Genbank formatted files. (not column dependent) SECTION System Requirements GDE 2.2 currently runs on the Sun family of workstations. This includes the Sun3 and Sun4 (Sparcstation) systems. It was written in XView, and runs on Suns using OpenWindows 3.0 or MIT's X Windows. It runs in both monochrome, and color, and can be run remotely on any system capable of running X Windows Release 4. You should have at least 15 meg of free disk space available. The binary release for SparcStations was compiled under SunOS 4.1.2 and Openwindows 3.0. We are also supporting a DECStation version of GDE. This is running under XView 3.0/X11R5. We encourage interested people to port the programs to their favorite Unix platform. There are informal ports to the SGI line of unix machines. SECTION Note to Motif users GDE2.2 can be run using different window managers. The most common alternative to olwm is the Motif window manager (mwm). The only problem in using another window manager is that the status line is not displayed. We have added a "Message panel" as an option under "File- >Properties" which displays all of the information contained on the status line. People using other window managers may also prefer using xterm, and xedit as default terminals and file editors. This can be accomplished by replacing all occurrences of 'shelltool' and 'textedit' with 'xterm -e' and 'xedit' in the $GDE_HELP_DIR/.GDEmenus file. FastA and Blast need to have the properly formatted databases installed in the $GDE_HELP_DIR under the directories FASTA/PIR, FASTA/GENBANK, BLAST/pir BLAST/genbank. For FASTA, simply copy a version of PIR and Genbank into the proper directory. Alternately, the PIR and GENBANK files can be symbolic links to copies of Genbank held elsewhere on your system. You may need to look at the .GDEmenus file in $GDE_HELP_DIR to verify that you are using the same divisions for these databases. Blast installation involves converting PIR and GENBANK to a temporary FASTA format (using pir2fasta and gb2fasta) and then using pressdb for nucleic acid, and setdb for amino acid to reformat the databases again into blast format. The .GDEmenus file is currently set up to search with blast using the following databases: pir, genpept, genupdate, and genbank. If you wish to divide these into subdivisions, then the .GDEmenus file will have to be edited. The most up to date release of blast can be obtained via anonymous ftp to ncbi.nlm.nih.gov. The most recent release of FASTA can be obtained via anonymous ftp to uvaarpa.virginia.edu. It is strongly recommended that you retrieve these copies, and become familiar with their setup. SECTION Using the GDE It is assumed that the user is familiar with the Unix, and OpenWindows/Xwindows environments. It is also assumed that people running standard MIT X- Windows will be using the OpenLook window manager (olwm). Other window managers work with varied success. If you are not certain as to how your system is set up, please contact your systems administrator. The GDE uses a menu description language to define what external programs it can call, and what parameters and data to pass to each function. This language allows users to customize their own environment to suite individual needs. The following is how the GDE handles external programs when selected from a menu: Each step in this process is described in a file .GDEmenus in the user's current or home directory. The language used in this file describes three phases to an external function call. The first phase describes the menu item as it will appear, and the Unix command line that is actually run when it is selected. The second phase describes how to prompt for the parameters needed by the function. The third phase describes what data needs to be passed as input to the external function, and what data (if any) needs to be read back from its output. The form of the language is a simple keyword/value list delimited by the colon (:) character. The language retains old values until new ones are set. For example, setting the menu name is done once for all items in that menu, and is only reset when the next menu is reached. The keywords for phase one are: menu:menu name Name of current menu item:item name Name of current menu item itemmeta:meta_key Meta key equivalence (quick keys) itemhelp:help_file Help file (either full path, or in GDE_HELP_DIR) itemmethod: Unix command The item method command is a bit more involved, it is the Unix command that will actually run the external program intended. It is one line long, and can be up to 256 characters in length. It can have embedded variable names (starting with a '$') that will be replaced with appropriate values later on. It can consist of multiple Unix commands separated by semi-colons (;), and may contain shell scripts and background processes as well as simple command names. Examples will be given later. The keywords for phase two are: arg:argument_variable_name Name of this variable. It will appear in the itemmethod: line with a dollar sign ($) in front of it. argtype:slider,chooser,choice_menu or text The type of graphic object representing this argument. arglabel:descriptive label A short description of what this argument represents argmin:minimum_value (integer) Used for sliders. argmax:maximum_value (integer) Used for sliders. argvalue:default_value (integer) It is the numeric value associated with sliders or the default choice in choosers, choice_menus, and choice_lists (the first choice is 0, the second is 1 etc.) argtext:default value Used for text fields. argchoice:displayed value:passed value Used for choosers and choice_menus. The first value is displayed on screen, and the second value is passed to the itemmethod line. The keywords for phase three are as follows: in:input_file GDE will replace this name with a randomly generated temporary file name. It will then write the selected data out to this file. informat:file_format Write data to this file for input to this function. Currently support values are Genbank, and flat. inmask: This data can be controlled by a selection mask. insave: Do not remove this file after running the external function. This is useful for functions put in the background. out:output_file GDE will replace this name with a randomly generated temporary file name. It is up to the external function to fill this file with any results that might be read back into the GDE. outformat:file_format The data in the output file will be in this format. Currently support values are colormask, Genbank, and flat. outsave: Do not remove this file after reading. This is useful for background tasks. outoverwrite: Overwrite existing sequences in the current GDE window. Currently supported with "gde" format only. Here is a sample dialog box, and it's entry in the .GDEmenus file: Using the default parameters given in the dialog box, the executed Unix command line would be: (tr '[a-z]' '[A-Z]' < .gde_001 >.gde_001.tmp ; mv .gde_001.tmp CAPS ; gde CAPS -Wx medium ; rm .gde_001 ) & where .gde_001 is the name of the temporary file generated by the GDE which contains the selected sequences in flat file format. Since the GDE runs this command in the background ('&' at the end) it is necessary to specify the insave: line, and to remove all temporary files manually. There is no output file specific because the data is not loaded back into the current GDE window, but rather a new GDE window is opened on the file. A simpler command that reloads the data after conversion might be: item: All caps itemmethod: tr '[a-z]' '[A-Z]' <INPUT > OUTPUT in: INPUT informat: flat out: OUTPUT outformat: flat In this example, no arguments are specified, and so no dialog box will appear. The command is not run in the background, so the GDE can clean up after itself automatically. The converted sequence is automatically loaded back into the current GDE window. In general, the easiest type of program to integrate into the GDE is a program completely driven from a Unix command line. Interactive programs can be tied in (MFOLD for example), however shell scripts must be used to drive the parameter entry for these programs. Programs of the form: program_name -a1 argument1 -a2 argument2 -f inputfile -er errorfile > outputfile can be specified in the .GDEmenus file directly. As this is the general form of most one Unix commands, these tend to be simpler to implement under the GDE. As functions grow in complexity, they may begin to need a user interface of their own. In these cases, the command line calling arguments are still necessary in order to allow the GDE to hand them the appropriate data, and possible retrieve results after some external manipulation. SECTION Appendix C, External functions ClustalV - Cluster multiple sequence alignment Author: Des Higgins. Reference: Higgins,D.G. Bleasby,A.J. and Fuchs,R. (1991) CLUSTAL V: improved software for multiple sequence alignment. ms. submitted to CABIOS Parameters: k-tuple pairwise search Word size for pairwise comparisons Window size Smaller values give faster alignments, larger values are more sensitive. Transitions weighted Can weight transitions twice as high as transversions (DNA only). Fixed gap penalty Gap insertion penalty, lower value, more gaps Floating gap penalty Gap extension penalty, lower value, longer gaps Comments: ClustalV is a directed multiple sequence alignment algorithm that aligns a set of sequences based on their level of similarity. It first uses a Lipman Peasron pairwise similarity scoring to find "clusters" of similar sequences, and pre-aligns those sequences. It then adds other sequences to the alignment in the order of their similarity so as to produce the cleanest alignment. Warning: ClustalV only uses unambiguous character codes. It will also convert all sequences to upper case in the process of aligning. Clustal does not pass back comments, author etc. Be sure to keep copies of your sequences if you do not wish to lose this information. MFOLD - RNA secondary prediction Author: Michael Zuker Reference: M. Zuker On Finding All Suboptimal Foldings of an RNA Molecule. Science, 244, 48-52, (1989) J. A. Jaeger, D. H. Turner and M. Zuker Improved Predictions of Secondary Structures for RNA. Proc. Natl. Acad. Sci. USA, BIOCHEMISTRY, 86, 7706-7710, (1989) J. A. Jaeger, D. H. Turner and M. Zuker Predicting Optimal and Suboptimal Secondary Structure for RNA. in "Molecular Evolution: Computer Analysis of Protein and Nucleic Acid Sequences", R. F. Doolittle ed. Methods in Enzymology, 183, 281-306 (1989) Parameters: Linear/circular RNA fold ct File to save results Comments: MFOLD passes it's output to a program Zuk_to_gen that translates the secondary structure prediction to a nested bracket ([]) notation. This notation can then be used in the Highlight Helix, and Draw Secondary structure (LoopTool) functions. MFOLD currently does not support much in the way of additional parameters. We hope to have all additional parameters available soon. Blast - Basic Local Alignment Search Tool Reference: Karlin, Samuel and Stephen F. Altschul (1990). Methods for assessing the statistical significance of molecular sequence features by using general scoring schemes, Proc. Natl. Acad. Sci. USA 87:2264-2268. Altschul, Stephen F., Warren Gish, Webb Miller, Eugene W. Myers, and David J. Lipman (1990). Basic local alignment search tool, J. Mol. Biol. 215:403-410. Altschul, Stephen F. (1991). Amino acid substitution matrices from an information theoretic perspective. J. Mol. Biol. 219:555-565. Parameters: Which Database Which nucleic or amino acid database to search. Word Size Length of initial hit. after locating a match of this length, alignment extension is attempted. Blastn Match score Score for matches in secondary alignment extension Mismatch score Score for mismatches in secondary alignment extension Blastx, tblastn, blastp, blast3 Substitution Matrix PAM120 or PAM250 Comments: The report is loaded into a text editor. This should be saved as a new file as the default file is removed after execution. The latest version of blast can be obtained via anonymous ftp to ncbi.nlm.nih.gov. FastA - Similarity search Reference: W. R. Pearson and D. J. Lipman (1988), "Improved Tools for Biological Sequence Analysis", PNAS 85:2444-2448 W. R. Pearson (1990) "Rapid and Sensitive Sequence Comparison with FASTP and FASTA" Methods in Enzymology 183:63-98 Parameters: Database Which database to search Number of alignments to report SMATRIX Which similarity matrix to use Comments: The FastA package includes several additional programs for pairwise alignment. We have only included a bare bones link to FastA. We hope to include a more complete setup for the actual 2.2 release. Assemble Contigs - CAP Contig Assembly Program Author Xiaoqiu Huang Department of Computer Science Michigan Technological University Houghton, MI 49931 E-mail: huang@cs.mtu.edu Minor modifications for I/O by S. Smith Reference "A Contig Assembly Program Based on Sensitive Detection of Fragment Overlaps" (submitted to Genomics, 1991) Parameters: Minimum overlap Number of bases required for overlap Percent match within overlap Percentage match required in the overlap region before merge is allowed. Comments: CAP returns the aligned sequences to the current editor window. The sequences are placed into contigs by setting the groupid. Cap does not change the order of the sequences, and so the results should be sorted by group and offset (see sort under the Edit menu). Lsadt - Least squares additive tree analysis Author: Geert De Soete, 'C' implementation by Mike Maciukenas, University of Illinois Reference: LSADT, 1983 Psychometrika, 1984, Quality and Quantity Parameters: Distance correction to use in distance matrix calculations (see count below). What should be used for initial parameters estimates. Random number seed. Display method (See TreeTool below). Comments: The program has been rewritten in 'C' and will be included with the rRNA Database phylogenetic package being written at the University of Illinois Department of Microbiology. Count is a short program to calculate a distance matrix from a sequence alignment (see below). Count - Distance matrix calculator Author: Steven Smith Parameters: Correction method Currently Jukes-Cantor or none, Include dashed columns, Match upper case to lower Comments: Passes back a distance matrix in a format readable by LSADT. Treetool - Tree drawing/manipulation Author: Michael Maciukenas, University of Illinois Comments: See included documentation for TreeTool usage. Readseq - format conversion program Author: Don Gilbert Parameters: Many, but can easily be run in interactive mode. Comments: Readseq is a very useful program for format conversion. The latest versionsupports over a dozen different file formats, as well as formating capabilities for publication. GDE makes of Readseq for importing and exporting sequences as well as a filtering tool to some external functions. SECTION Copyright Notice The Genetic Data Environment (GDE) software and documentation are not in the public domain. Portions of this code are owned and copyrighted by the The Board of Trustees of the University of Illinois and by Steven Smith. External functions used by GDE are the proporty of, their respective authors. This release of the GDE program and documentation may not be sold, or incorporated into a commercial product, in whole or in part without the expressed written consent of the University of Illinois and of its author, Steven Smith. All interested parties may redistribute the GDE as long as all copies are accompanied by this documentation, and all copyright notices remain intact. Parties interested in redistribution must do so on a non-profit basis, charging only for cost of media. Modifications to the GDE core editor should be forwarded to the author Steven Smith. External programs used by the GDE are copyright by, and are the property of their respective authors unless otherwise stated. While all attempts have been made to insure the integrity of these programs: SECTION Disclaimer THE UNIVERSITY OF ILLINOIS, HARVARD UNIVERSITY AND THE AUTHOR, STEVEN SMITH GIVE NO WARRANTIES, EXPRESSED OR IMPLIED FOR THE SOFTWARE AND DOCUMENTATION PROVIDED, INCLUDING, BUT NOT LIMITED TO WARRANTY OF MERCHANTABILITY AND WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE. User understands the software is a research tool for which no warranties as to capabilities or accuracy are made, and user accepts the software "as is." User assumes the entire risk as to the results and performance of the software and documentation. The above parties cannot be held liable for any direct, indirect, consequential or incidental damages with respect to any claim by user or any third party on account of, or arising from the use of software and associated materials. This disclaimer covers both the GDE core editor and all external programs used by the GDE. �������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gde_ift.hlp�������������������������������������������������������0000644�0126641�0000013�00000001035�11213220015�020466� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: gde OCCURRENCE ARB_IMPORT DESCRIPTION This is just an experimental GDE file reader. It only reads the name and sequence. You should not use it if you can avoid it. ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_extract.hlp��������������������������������������������������0000644�0126641�0000013�00000002072�11213220015�021537� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB gene_species.hlp SUB translate_dna_2_pro.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Extract genes to gene-species OCCURRENCE ARB_NT/Genes/Extract marked genes to alignment ARB_GENE_MAP/Genes/Extract marked genes to alignment DESCRIPTION For every marked gene this command creates a so called 'gene-species'. Just enter the name of the alignment you like to create or to add species to. NOTES Depending on the value of 'complement' of the gene the forward or the reverse-complement sequence is extracted The fields 'codon_start' and 'transl_table' are exported to the resulting gene-species. They will be used by 'ARB_NT/Sequence/Translate..' EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_hide.hlp�����������������������������������������������������0000644�0126641�0000013�00000001064�11213220015�020776� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB gene_mark.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Hiding genes OCCURRENCE ARB_NT/ARB_GENE_MAP/Hide DESCRIPTION You can hide genes. Hidden genes will not be displayed in ARB_GENE_MAP. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_info.hlp�����������������������������������������������������0000644�0126641�0000013�00000015020�11440743001�021024� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP gene_search.hlp UP Protection.hlp #Please insert subtopic references (line starts with keyword SUB) SUB spaf_reorder.hlp SUB spaf_delete.hlp SUB spaf_create.hlp SUB spaf_scandb.hlp SUB spa_delete.hlp SUB spa_rename.hlp SUB spa_copy.hlp SUB spa_create.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE GENE INFORMATION OCCURRENCE ARB_GENEMAP/<INFO> button (on the left side) ARB_NT/Genes/Info ARB_NT/Genes/Search ARB_GENEMAP/Genes/Info ARB_GENEMAP/Genes/Search DESCRIPTION Displays gene information stored within the 'fields' (see LINK{glossary.hlp}). The particular 'gene' (see LINK{glossary.hlp}) can be 'marked' or 'unmarked' (see LINK{glossary.hlp}) by pressing the checkbox after the 'Marked?' prompt. Editing of 'field' entries is enabled or prevented by pressing the 'Edit enabled?' checkbox. The entries of a 'field' are modified by choosing it from the 'DATABASE FIELDS' subwindow and modifying the entries displayed in the 'Edit box' subwindow. NOTES The 'SEARCH & QUERY' window can be displayed by pressing the <SEARCH> button. For modification of 'field' entries, a protection level has to be selected from the Protection menu of the main window (ARB_NT/Protection) equal to or higher than that assigned to the selected 'field' Cut and paste of the window system can be used in the 'Edit box' subwindow. This provides is an easy way to export/import data. Use the left mouse button to mark (cut is done automatically). Then use the middle mouse button to paste. When you open this window it will always show the information of the current species. That means if you select another species (in ARB_NT or in the editor) this window will follow and display information of the selected species. After clicking on the <DETACH> button once the window will no longer follow the current species automatically. You may open a new information window then (which will follow again). Clicking again on the <DETACH> button will catch up the detached window to the current species. SECTION STANDARD FIELDS The following fields have a special meaning in ARB: name unique name for the gene/annotation (should be max. 8 characters long; generated by ARB) type type of gene (e.g. 'gene', 'CDS', 'tRNA', 'misc_feature', ...) pos_start start position(s) of gene; range is 1..genomeLength pos_stop stop position(s) of gene; range is 1..genomeLength pos_complement 1 -> gene is located on other strand pos_certain contains information about the certainty of start and stop position(s): - 1st character refers to start-position, - 2nd to stop-position. Possible characters: '=' means 'pos is exact' '<' means 'pos may be lower' '>' means 'pos may be higher' '+' means 'pos is directly behind' '-' means 'pos is directly before' If the entry is missing, it is assumed that all positions are exact. pos_joined contains the number of parts a joined gene consist of. >0 parts maybe joined (location 'join(...)'). <0 it's unknown whether parts a joinable (location 'order(...)'). if the field is missing, 1 is assumed (which means "simple gene"; e.g. "205..377") if pos_joined contains a value diff from '1', the fields 'pos_start' to 'pos_certain' each contains a semicolon-separated-list of what's described above. The list contains one element for each part. ARB_display_hidden gene will not be displayed (and is not found by default with search tool) Use the Hide-menu in ARB_GENEMAP to modify the hidden-status. Note: the importer automatically hides all genes with type 'gene', if another entry with different type exists at the same location. ARB_is_gene shortname of gene (with type 'gene') at same location During import ARB removes all 'translation' qualifiers from the feature table, if it can reproduce them. ARB_translation if 'translation' was NOT reproducible, this contains the result of the translation. In this case the 'translation' has not been removed by ARB. ARB_translation_note additional information about reproduction ARB_translation_rm 1 -> ARB has reproduced+removed the translation Fields relevant for DNA->AminoAcid encoding: codon_start contains the base inside the gene at which the first codon starts (valid: 1,2,3) if this entry is missing 1 is assumed transl_table the number of the translation table to be used (1 = Standard, ...). Same table numbers as used by EMBL. NOTES For gene-species 'codon_start' and 'transl_table' have the same meaning as described above WARNINGS It is recommended to reset the protection level after modifying entries to prevent unintentional modification or loss of data. The genom flat file format often contains the entries 'codon_start' and 'transl_table' inside the sub-entry CDS (CDS_01,...). Use Search&Query + Mark to fields of listed species to correct this BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_map.hlp������������������������������������������������������0000644�0126641�0000013�00000001110�11213220015�020632� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB gene_mode.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_GENEMAP - Gene map editor OCCURRENCE ARB_NTREE/Genes/Gene map DESCRIPTION ARB_GENEMAP displays a map of all genes of the selected organism (species). NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_mark.hlp�����������������������������������������������������0000644�0126641�0000013�00000001333�11213220015�021016� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB gene_hide.hlp SUB mark.hlp SUB gene_species_mark.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Mark genes OCCURRENCE ARB_NT/Genes/ ARB_GENE_MAP/Genes/ DESCRIPTION Marking genes works similar to marking species. You can select to - mark all - unmark all or - invert marks of all genes of - the current - all marked or - all species. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_mode.hlp�����������������������������������������������������0000644�0126641�0000013�00000001414�11213220015�021010� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP gene_map.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_GENEMAP modes OCCURRENCE ARB_GENEMAP/mode buttons DESCRIPTION ZOOM MODE Mode to zoom the displayed gene map. You can zoom in by dragging a rectangle with the left mouse button. You can zoom out with the right mouse button. INFO MODE Mode to get info about a specific gene. Click on the gene to get info about. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_options.hlp��������������������������������������������������0000644�0126641�0000013�00000001175�11213220015�021563� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE General options for ARB_GENE_MAP OCCURRENCE ARB_GENE_MAP/Properties/Options DESCRIPTION If 'Auto jump to selected gene' is on, the display should automatically center to the selected gene. NOTES None EXAMPLES None WARNINGS None BUGS Not working yet!!! ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_search.hlp���������������������������������������������������0000644�0126641�0000013�00000003235�11440743001�021343� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP genes.hlp UP mark_genes.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mark_list.hlp SUB unmark_list.hlp SUB del_list.hlp SUB write_field_list.hlp SUB mod_field_list.hlp SUB selected_gene.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search Database for Genes OCCURRENCE ARB_NT/Genes/search ARB_GENEMAP/Genes/search DESCRIPTION Searches for a (set of) genes that match (don't match) a query or are marked. The database is scanned for 'genes' which contain (or do not contain) the search string within the specified 'field'. The corresponding genes and the respective 'field' entries are listed in the 'HIT LIST' subwindow. The number of hits is displayed after the 'Hits:' prompt. Define whether matching or non-matching genes should be listed by pressing the appropriate combination of buttons in the top area. Define whether genes are searched in the current, in all marked or in all species. When performing multiple searches, define whether the list of 'genes' should be replaced by the new results, and whether newly found 'genes' should be removed from or appended to the existing list. Select a 'field' from the 'Search Field' subwindow. Type the search string in the 'Search string' subwindow. Press the <SEARCH> button. NOTES see LINK{searching.hlp} for details EXAMPLES None WARNINGS If the hitlist becomes too long, it will be truncated. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/genes.hlp���������������������������������������������������������0000644�0126641�0000013�00000002340�11213220015�020166� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP species.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mark_genes.hlp SUB selected_gene.hlp SUB gene_species.hlp # SUB gene_info.hlp SUB organisms.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are Genes ? DESCRIPTION One gene is one database entry containing subentries which describe the gene. Every gene belongs to a specific organism, but one organism may have many genes. Main (reserved) entries of a gene: name, pos_begin, pos_end, complement, pos_joined, pos_begin1, pos_end1, pos_begin2, pos_end2, ... pos_uncertain, codon_start, transl_table See LINK{gene_info.hlp} for details about these fields. NOTE The main-sequence of a organism(species) is stored in the alignment 'ali_genom'. You should not change this alignment. WARNINGS The alignment 'ali_genom' should NOT contain any gaps!!!! BUGS No known bugs ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_species_field_transfer.hlp�����������������������������������0000644�0126641�0000013�00000003746�11440743001�024607� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB commands.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Define fields exported with gene species OCCURRENCE ARB_NT/Export/Export .. to new ARB database/Transfer Species/DB1->DB2/Define field transfer for gene species DESCRIPTION Here you can define which fields (of the origin organism or of the origin gene of a gene species) should be transferred to the new database and how they should be modified. To define a new transfer rule, do the following steps: - Enter name of created field - Choose a creation method If you choose 'Copy from organism/gene' you have to provide a 'Source field' and you MAY provide an ACI expression. If you choose 'Only use ACI' you have to provide an ACI expression, but no 'Source field'. - Check if the example shows your intended result. NOTES The example will be calculated for the gene-species which is selected in the left Hitlist of the 'TRANSFER SPECIES' window. The ACI expression applies to the Organism or the Gene if 'Copy from organism/gene' is selected. If 'Only use ACI' is selected it applies to the gene-species. Note that it is possible to create hierarchical keys. Simply enter something like 'organism/full_name' into the destination field. EXAMPLES None WARNINGS None BUGS When you export gene-species to a new database this database is marked as 'Arb-Genome-Database'. We need to implement some kind of Database-Admin-Tool to change the database type. ��������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_species.hlp��������������������������������������������������0000644�0126641�0000013�00000002337�11440743001�021533� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB gene_extract.hlp SUB gene_species_mark.hlp SUB organisms.hlp SUB gene_species_field_transfer.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are Gene-species? DESCRIPTION In order to work with alignments of genes you first have to extract the wanted genes into some kind of pseudo-species. We called them 'gene-species'. These gene-species store additional information about the organism and the gene they originated from (ARB_origin_gene and ARB_origin_organism). They only contain that part of the whole organism-sequence the gene corresponds to. The intention is to create different alignments for different groups of genes and to calculate your trees using these alignment(s). NOTES It's possible to export these gene-species to a separate ARB database using the merge tool. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/gene_species_mark.hlp���������������������������������������������0000644�0126641�0000013�00000001554�11213220015�022536� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mark.hlp SUB gene_species.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Marking Gene-species OCCURRENCE ARB_NT/Genes/Gene-Species/... ARB_GENE_MAP/Gene-Species/... DESCRIPTION Marking gene-species works similar to marking species. You can select to - mark all gene-species - mark all gene-species and unmark all other species - unmark all gene-species - invert marks of all gene-species or - mark all gene-species corresponding to marked genes. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/glossary.hlp������������������������������������������������������0000644�0126641�0000013�00000005434�11440743001�020746� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP arb.pdf #Please insert subtopic references (line starts with keyword SUB) SUB trees.hlp SUB helix.hlp SUB props_nds.hlp SUB pt_server.hlp SUB extended.hlp SUB species.hlp SUB selected.hlp #SUB mark.hlp #SUB alignment.hlp #SUB commands.hlp SUB parser.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Glossary SECTION What do we mean if we talk about ... ALIGNMENT Subdatabase containing homologous sequences (different 'alignments' can be stored along with the species information). See LINK{alignment.hlp} for more information. ACI ARB Command Interpreter. ACI is a simple programing language for calculating special species information (eg. G+C Content..) See LINK{commands.hlp}. EDGE Branch within a tree defined by nodes FIELD Container for 'species' associated information MARKED SPECIES Marking of 'species' defines the datasubset which is analyzed by the ARB tools. See LINK{mark.hlp}. NAMES There are two kinds of name fields (for species, genes, etc.). - name Identifier for 'species' entries. Should be generated automatically using the name server. - full_name User defined full name of the species,... NDS Node Display Setup: defines information which is displayed at tree nodes. NODE Internal: connects branches of a tree Terminal: free end of branches representing 'species' PT_SERVER Server using a special form of the ARB database for rapid similarity searching (automated alignment, probe design/check) SAI Sequence Associated Information SELECTED SPECIES 'species' highlighted (selected) using the 'ARB_NT/Species/ Search' or 'ARB_INTRO <MERGE TWO ARB DATABASES> tools. SPECIES Database entry containing a sequence and associated information. Not necessarily consistent with a taxonomic species SRT Search and Replace Tool allows to search substrings in a string and replace them by another substring. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/helix.hlp���������������������������������������������������������0000644�0126641�0000013�00000006424�11440743001�020214� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB helixsym.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Helix OCCURRENCE ARB_EDIT/ETC/Reload Helix DESCRIPTION The 'SAI' (see LINK{glossary.hlp}) entry 'HELIX_NR' contains numbering of potential higher order structure elements. The paired 5' and 3' helix halves are indicated by identical numbers. The SAI entry 'HELIX' contains symbols ([<( and )>]) indicating positions which usually are base paired. This information is used by the editor to check the sequences for (correct) base pairing. User-defined symbols indicating base pairing and mispairing are shown below the particular sequences. SECTION FORMAT OF HELIX/HELIX_NR: When the 'HELIX/HELIX_NR SAI's are analyzed the following steps are performed: 1. HELIX_NR contains the helix numbering. A helix number is a number between 0 and 100 optionally followed by one letter: e.g. 11a, 23g, 0i, 6, 23, A helix number is valid from the position of the first digit to the position just before the next helix number. eg. .........1a.........23b......... . .........|||||||||||............ The '|' symbols indicate the positions for '1a' 2. All '<[{(' symbols in HELIX are replaced by '(' All '>]})' symbols in HELIX are replaced by ')' eg. ...[<<[..]>>].. is the same as ...((((..)))).. 3. For each helix number 'HN' a temporary helix is created that contains all '()' symbols of the 'SAI HELIX' at all positions where 'HN' is valid. eg. HELIX_NR .....1a.....23b.......1a....23b..... HELIX .....[<<[...[<[.......]>>]..]>]..... -> 1a .....((((.............)))).......... -> 23b ............(((.............)))..... 4. The (usually) paired positions can simply be defined by recursively removing the innermost bracket pairs in the temporary helices: eg. HELIX_NR .....1a.....23b.......1a....23b..... HELIX .....[<<[...[<[.......]>>]..]>]..... Pos 123456789012345678901234567890123456 -> 1a .....((((.............)))).......... -> 23b ............(((.............)))..... 1a 9-23 ........+-------------+............. 1a 8-24 .......+---------------+............ 1a 7-25 ......+-----------------+........... 1a 6-26 .....+-------------------+.......... 23b 15-29 .............+------------+....... 23b 14-30 ............+--------------+...... 23b 13-31 ...........+----------------+..... NOTES After inserting or deleting gaps in the whole alignment (ARB_NT/ Sequence/Admin/INS/DEL CHAR) the helix information has to be: 1. Checked (inserting a '.' between '1' and '2' destroys the original '12'). 2. reloaded by choosing the 'Reload Helix' item of the 'ARB_EDIT/ETC' menu. EXAMPLES None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/helixsym.hlp������������������������������������������������������0000644�0126641�0000013�00000002704�11440743001�020742� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Define Helix Symbols OCCURRENCE ARB_EDIT/Props/Helix Symbols ARB_EDIT4/Properties/Helix settings DESCRIPTION Different base pairs in helix regions can be indicated by user-definable symbols. This window allows you to change the mapping between base pairs and displayed symbols. SECTION Configuration Show helix: Toggle display of helix symbols Pair definitions. Each line contains two textfields: The left textfield contains one or more base-pairs. Each base pair contains two characters (bases, gaps-characters, ...). Base-pairs are separated by spaces (' '). The right textfield contains the helix symbol used for each of the specified pairs. NOTES - Pairs are not case-sensitive - If a pair is not defined in any line, the symbol given behind 'Default' is used. SECTION Missing @@@ description of Non_Standard pairs ... EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/help.hlp����������������������������������������������������������0000644�0126641�0000013�00000010627�11440743001�020033� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Using embedded help DESCRIPTION There are several versions of ARB help: - an embedded, context-sensitive version (press any 'HELP' button inside ARB) - an HTML version which is located in $ARBHOME/lib/help_html - it may be started using the BROWSE button in embedded help windows - If arb is installed in /usr/arb it may be accessible at LINK{file:///usr/arb/lib/help_html/arb.html}. - This HTML help is also available via LINK{http://help.arb-home.de/arb.html}. Please note that the online version may be more recent than your ARB version! The following is about the embedded help module: The embedded help is available by clicking on the 'HELP' menu (flat) or buttons (raised) located in most windows. Clicking on a <HELP> button displays the 'HELP WINDOW' with help for that window. Clicking on the 'HELP' menu and choosing 'Click here and then on the questionable button/menu/...' switches to the context-sensitive help mode (indicated by the 'open question cursor'). Then click on any button or prompt to display the 'HELP WINDOW' showing help for the pressed button/menu/... There are two formates of embedded 'HELP' texts: Normally, ARB uses simple ASCII texts displayed within the 'HELP WINDOWS'. The titles of help texts on related main- and subtopics linked to the current help file are displayed in the subwindows in the lower part of the 'HELP WINDOW' and are activated by clicking on the tile prompts. Press the <BACK> button in the upper part of the 'HELP WINDOW' to display the former help text. Some 'HELP' texts are stored as postscript files and displayed using the public domain software 'ghostview'. Press <Ghostview/Page/Next> to display the following page(s), <Ghostview/File/Print> to print the help text. <Ghostview/File/Quit> to leave ghostview. Format: "text" indicates an important term. 'text' indicates ARB-specific terms, paths, tools and prompts. <text> indicates buttons. Terminology: Screen: "Windows" are the workstation work areas. The names are displayed at the very top of the window. "Subwindows" (indented) are display and input areas within windows. "Menu bars" at the top of windows (if present) are used to expose menu choices. The menus are displayed after clicking on the prompts of the menu bar. "Menu buttons" are raised rectangular buttons containing a small raised rectangle at the right. Menu options are exposed after clicking on the button. "Menus" initiate actions after clicking on the items. "Scroll bars" at the extreme right and bottom of windows and subwindows allow to move through the display area in various increments. Mouse buttons communicate commands to the program: "Left mouse button" is used exclusively for clicking on prompts, checkboxes and buttons. !!! Exception: current version of 'ARB_PHYL' (see LINK{phyl.hlp}) "Middle and right mouse buttons" are used for modifying the main display (see LINK{mode.hlp}) "Press" means hold down the mouse button while completing an operation. "Release" means to let go of the mouse button. "Click on" means positioning the cursor on a location, prompt, button or checkbox, pressing and immediately releasing the mouse button. "Choose" from a menu means clicking on the desired menu option. NOTES The 'HELP' texts for foreign programs or tools which have been incorporated into ARB (see LINK{arb.hlp}) are usually (parts of) the original documentation or help texts. The ASCII texts can be edited by clicking on the <EDIT> button of the 'HELP WINDOW' and can be modified by the user. Write permission is needed for '$ARBHOME/lib/help'. (This only works if you build arb from source) See LINK{props_www.hlp} on how to configure the BROWSE button. BUGS In the current release, the 'open question pointer' is reset to the original symbol when moved to a menu item. ���������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/importift.hlp�����������������������������������������������������0000644�0126641�0000013�00000015432�11440743001�021117� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB parser.hlp SUB commands.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE How to define new import formats OCCURRENCE ARB_NT SECTION BRIEF DESCRIPTION All description files of import formats are located in the directory '$ARBHOME/lib/import'. Each of these files describe how to analyze the input files. A basic import description file (.ift) looks like this: [AUTODETECT "Matchpattern"] BEGIN "Matchpattern" [KEYWIDTH #Columnnumber] [AUTOTAG ["TAGNAME"]] [IFNOTSET x "Reason why x is not set"]+ [SETGLOBAL x "global value"]+ [INCLUDE "file"]+ [MATCH "Matchpattern" [SRT "SRT_STRING"] [ACI "ACI_STRING"] [TAG "TAGNAME"] [WRITE "DB_FIELD_NAME"] [WRITE_INT "DB_FIELD_NAME"] [WRITE_FLOAT "DB_FIELD_NAME"] [APPEND "DB_FIELD_NAME"] [SETVAR x] ]* SEQUENCESTART "Matchpattern" SEQUENCECOLUMN #Columnnumber [SEQUENCESRT "SRT_STRING"] [SEQUENCEACI "ACI_STRING"] SEQUENCEEND "STRING" [CREATE_ACC_FROM_SEQUENCE] [DONT_GEN_NAMES] END "STRING" or it can pipe the data through any external program PROGRAM to convert it to an already existing format 'exformat' using the following basic design: [AUTODETECT "Matchpattern"] SYSTEM "PROGRAM $< $>" NEW_FORMAT "lib/import/exformat.ift" $< will be replaced by the input file name $> will ve replaced by the intermediate file name DESCRIPTION First of all the converter appends all import files maching the filepattern into one file. The files are separated by the string defined with the keyword SEQUENCEEND. 1. Search the first line matching the pattern defined by BEGIN 2. Try to match all MATCH_patterns. For all lines that match do: - append all following lines, which start after column KEYWIDTH - run commands with the concatenated lines Known commands are (they are executed in the order listed here): - SRT "SRT_STRING" start the string replace tool on the current result and set the output as current result. - ACI "ACI_STRING" run the arb command interpreter to change the current result. - TAG "TAGNAME" tag information (i.e. "[EBI] 1997 [RDP] 1998") - WRITE "DB_FIELD_NAME" write the current result into DB_FIELD_NAME - WRITE_INT "DB_FIELD_NAME" like WRITE, but expect integer target field - WRITE_FLOAT "DB_FIELD_NAME" like WRITE, but expect floating-point target field - APPEND "DB_FIELD_NAME" append the current result to DB_FIELD_NAME - SETVAR x store the current result in the variable x, where x may be any character. After it was set this variable can be referenced by using $x in any command expression (SRT_STRING,ACI_STRING,TAGNAME,DB_FIELD_NAME). For each used variable there has to be defined an error reason describing, what's wrong if the variable has NOT been set. Define error reasons using IFNOTSET x "Reason why x is not set" Note: use '$$' to insert a single '$'. Allowed variable names are 'a' to 'z'. Note: Every of these commands may only occur once in one MATCH rule. To run some of them multiple, create multiple MATCH rules. 3. If the line matches SEQUENCESTART_pattern, assume that all following lines to and except the line matching SEQUENCEEND_pattern contain the sequence data. 4. GOTO 1 Postprocesses: CREATE_ACC_FROM_SEQUENCE: Generate a checksum for all sequences with no accession entry ('acc' -field) and write it as the accession number DONT_GEN_NAMES: Do not try to generate unique short names for the species using the full_name field. General commands: INCLUDE "filename" Simply inserts the contents of "filename" at the current position. It's possible to declare variables in the file where the INCLUDE happens and to use them in the included file. (Example: longebi.ift, longgenbank.ift and feature_table.ift in subdir nonformats) SETGLOBAL x "value" Sets global variable 'x' to 'value'. AUTOTAG ["TAGNAME"] If set, act like each MATCH rule has a TAG "TAGNAME" entry. Use AUTOTAG w/o parameter to reset to default behavior. EXAMPLES Look at the files in '$ARBHOME/lib/import' WARNINGS Format detection does not always work ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/input_mask_format.hlp���������������������������������������������0000644�0126641�0000013�00000015223�11213220015�022613� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP input_mask.hlp #Please insert subtopic references (line starts with keyword SUB) SUB commands.hlp SUB parser.hlp SUB regexpr.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE User mask syntax description OCCURRENCE In all user mask files. DESCRIPTION This document describes the syntax of user masks (*.mask files) <mask-file> ::= <id-line> [<parameter-line>]+ '@MASK_BEGIN' [<mask-layout-line>]+ '@MASK_END' <id-line> ::= 'ARB-Input-Mask'<cr> <parameter-line> ::= '@'<parameter-name>'='<value><cr> <parameter-name> ::= name of the parameter (i.e. 'ITEMTYPE') <value> ::= the value of the parameter (depends on parameter) <mask-layout-line> ::= <widget>[','<widget>]* <widget> ::= <widget-name>'('<widget-parameters>')' <widget-name> ::= name of the widget (i.e. 'EDIT') <widget-parameters> ::= <widget-parameter>[','<widget-parameter>]* <widget-parameter> ::= <numeric-parameter> | <text-parameter> <numeric-parameter> ::= [0-9]+ <text-parameter> ::= "text" <cr> ::= a newline character Parameter lines: <parameter-name> mandatory? allowed <value>s ---------------------------------------------------------------------------------- ITEMTYPE yes 'Species', 'Organism', 'Gene' or 'Experiment' TITLE no the title of the window X_SPACING no x-spacing between mask elements (default: 5) Y_SPACING no y-spacing --------- " --------- (default: 3) EDIT no 0|1 (1 => show edit/reload buttons) Known Widgets: Format of the following descriptions: <widget> "description" description of <widget-parameters> TEXT(text) "prints text to window" <text> mandatory; Text appearing NEW_SECTION() "starts a new section" TEXTFIELD(label,db-path,width) "a text input field" <label> mandatory; Label appearing in front of input-field <db-path> mandatory; path-name of the database entry (i.e. 'full_name' or 'ali_23s/data') <width> mandatory; width of input field (1..n) NUMFIELD(label,db-path,width[,[min],[max]]) "a numeric input field" Note: all in [ ] is optional <label> mandatory; <like above> <db-path> mandatory; <like above> <width> mandatory; width of input field (1..n) <min> optional; minimum (leave empty for no minimum) <max> optional if <min>; maximum (leave empty for no maximum) CHECKBOX(label,db-path,checked) "a checkbox" <label> mandatory; <like above> <db-path> mandatory; <like above> <checked> mandatory; 0 or 1 (value is used if database entry is missing) RADIO(label,db-path,default,orientation[,radio-def]+) "a radio button field" Note: [ ]+ means: must occur once, may occur repeated <label> mandatory; <like above> <db-path> mandatory; <like above> <default> mandatory; 1 .. n (which radio button is active if database entry is missing) <orientation> mandatory; H,V,X,Y (horizontal or vertical) <radio-def> ::= <text>,<db-value> or <text>,'ALLOW_EDIT',<width>,<db-value> <text> mandatory; text showing up in window <db-value> mandatory; text used as database content OPENMASK(button-label,mask-name) "a button opening another mask" <button-label> mandatory; Label appearing on button <mask-name> mandatory; User-Mask to activate CHANGEMASK(button-label,mask-name) "same as OPENMASK but closes current mask" WWW(button-label,url-srt) "a button to open an URL in the web-browser" <button-label> mandatory; Label appearing on button <url-srt> mandatory; ACI/SRT expression which creates an URL (script runs on current item) ID(id) "assign an identifier to the last element" <id> mandatory; a unique identifier GLOBAL(id,default) "declare a global variable (visible in ALL masks)" <id> mandatory; a unique identifier <default> mandatory; default value for variable LOCAL(id,default) "declare a local variable (only visible in CURRENT masks)" <id> mandatory; a unique identifier <default> mandatory; default value for variable SCRIPT(id,aci) "declare a script" <id> mandatory; a unique identifier <aci> mandatory; the script itself (" has to be written as \") SHOW(label,idref,width) "display/edit a variable or script" <label> mandatory; Label appearing in front of input-field <idref> mandatory; name of an existing identifier <width> mandatory; width of display textfield ASSIGN(dest,source,button-label) "a button to assign value of 'source' to 'dest'" <dest> mandatory; ID of destination (may be a variable, a named field, etc.) <source> mandatory; ID of source (variable, named field, script, etc.) <button-label> mandatory; text appearing on button Examples for Widgets: TEXTFIELD( "Name ", "full_name" , 50 ) TEXT("Publication:") TEXTFIELD( "Author ", "author" , 40 ) ID(AUTHOR) TEXTFIELD( "Title ", "title" , 40 ) TEXTFIELD( "Journal", "journal" , 30 ) TEXTFIELD( "Remark ", "remark2" , 50 ) CHECKBOX( "Checked ", "checked" , 0 ) TEXTFIELD("by","checked_by",8) �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/input_mask.hlp����������������������������������������������������0000644�0126641�0000013�00000001771�11213220015�021246� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB input_mask_format.hlp SUB input_mask_new.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE User masks OCCURRENCE ARB_NT/Species/User Masks (if 'Species'-masks existing) DESCRIPTION A user mask is a user-definable interface to the database. NOTES To define new users masks modify one of our examples and save it with a different name. EXAMPLES See $(ARBHOME)/lib/inputMasks WARNINGS If there is an 'Edit enable' toggle at top of the mask, you'll need to check this switch before you make changes to any fields. If there is no such toggle or if the toggle is checked, all changes will be written to the database without any confirmations. BUGS No bugs known. �������./arbsrc_9167/HELP_SOURCE/oldhelp/input_mask_new.hlp������������������������������������������������0000644�0126641�0000013�00000002621�11213220015�022112� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB input_mask.hlp SUB input_mask_format.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Create a new input mask OCCURRENCE In all 'User mask' menus DESCRIPTION Enter the name of the input mask you'd like to create. Choose the correct item type for your mask. Choose the scope of your mask. 'Local' means the mask will only be visible to you (it's saved in ~/.arb_prop/inputMasks). 'Global' means the mask will be visible to all users (you need write permission in $ARBHOME/lib/inputMasks to create such a mask). NOTES To delete masks delete the corresponding file in the inputMasks subdirectory. New created masks will not appear in the 'User masks' menu, before you restart ARB. EXAMPLES None WARNINGS When a mask was reloaded (or created), macro recording will not work properly. You need to restart ARB before you can record/execute macros for modified masks. Anyway, modifying a mask easily renders any macros recorded for that mask useless. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/insdelchar.hlp����������������������������������������������������0000644�0126641�0000013�00000001724�11440743001�021215� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Insert / Delete Column OCCURRENCE ARB_NT/Sequence/Admin/INS/DEL CHAR DESCRIPTION Inserts or deletes columns in an alignment. Select alignment position by typing it in the 'Sequence Position' subwindow or by putting the cursor at the desired position in the editor. Type the number of columns to insert or delete from the defined position towards the (3'-) ends of the sequences. Specify the characters to be deleted by typing in the 'Delete Only' window NOTES @@@ Beachte SAIS EXAMPLES @@@ Delete Example mit Fehlern WARNINGS None BUGS @@@ Enden im Editor u.U. nicht sichtbar ��������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/islandhopping.hlp�������������������������������������������������0000644�0126641�0000013�00000001376�11460347216�021755� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Island Hopper OCCURRENCE ARB_EDIT4/Edit/Integrated Aligners DESCRIPTION The 'Island Hopper' is an integrated aligner, which currently is in beta state. [generelle Beschreibung fehlt] [Beschreibung der Einstellmoglichkeiten im Parameter Fenster fehlt] NOTES None EXAMPLES None WARNINGS Slow! BUGS - block alignment does always align everything ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/iupac-codes.hlp���������������������������������������������������0000644�0126641�0000013�00000001350�11213220015�021261� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP primer_new.hlp UP primer_parameters.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB iupac-codes.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Primer Design/IUPAC codes OCCURRENCE ARB_NT/ETC/Primer Design DESCRIPTION R = A G M = A C S = CG Y = TC K = T G W = AT V = A CG B = TCG D = AT G H = ATC N = ATCG (X accepted as well) NOTES written by Wolfram Foerster 2001 EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/macro.hlp���������������������������������������������������������0000644�0126641�0000013�00000003474�11213220015�020177� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Macros OCCURRENCE ARB_NT DESCRIPTION Macros are used to combine a set of menu-actions. They work like a tape recorder, which records all buttons presses, every input to data fields, ... To execute an existing macro select a macro and press <EXECUTE> To record a new macro, go to a directory where the new macro should be placed, enter a macro name and press <RECORD>. The button label will switch to <STOP>. Do all actions, then press <STOP>. NOTES Read the BUGS Macros may be edited using a normal text editor. Macros may call submacros Create only small macros, not more than 5 actions, use submacros instead. EXAMPLES None WARNINGS Close all subwindows first. BUGS - Only buttons, values and menus are recorded - When recording a macro you have to open a subwindow before you can press the buttons within. Hint: Close all subwindows before you start to build a macro. - Only value changes are recorded. If you open a subwindow and just press the go button, all user changeable parameters are unchanged. If you want a parameter set to a certain value, you have to change it. Sometimes it is necessary to change it to any value and than back to the real value, just to ensure that it is recorded in the macros. - Only actions within the main application (ARB_NT) are recorded. ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/Makefile����������������������������������������������������������0000644�0126641�0000013�00000000274�11213220015�020024� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������help.make: @echo 'options' @echo ' all chmod, rm backup' @echo ' msave save into help.tar' all: # rox chmod 666 *.hlp # rox rm -f *.hlp% chmod 666 *.hlp rm -f *.hlp% msave: ./save ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/man_arb_edit4.hlp�������������������������������������������������0000644�0126641�0000013�00000004373�11440743001�021574� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP manual.hlp UP arb_edit4.hlp UP e4.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp TITLE ARB_EDIT4 F.A.Q. OCCURRENCE General NOTE This file is no longer kept up to date. If you don't find an answer here move to LINK{http://arb-home.de/arb_edit.html}. DESCRIPTION General Q & A on ARB_EDIT4 SECTION How to move around in ARB_EDIT: How to define the alignment detail visualized in the ARB_EDIT4 window? Use the scroll bars: click on the triangles to move one position left/right or one line up/down drag the rectangles while keeping the left mouse button pressed position the cursor in the scroll bar area and press the middle mouse button How to position the cursor: to visualize the editor cursor, position the mouse cursor and press the left button (note: the cursor is placed between the sequences positions; counting is for the position next right to the cursor) to move the editor cursor (it has to be placed somewhere before) to a given alignment position type a (position) number in one of the 'Position' (absolute alignment position - characters and gaps), 'E.coli' (homologous position in the E. coli standard), 'Base' (position in the current sequence - only characters, no gaps) or 'Helix #' (5'-end of 3' helix half; type a '-' for 5'-end of the 5' helix half) and move the mouse cursor back to the editing area of the ARB_EDIT4 window. to move the editor cursor to the next character (gap symbols neglected) press the 'ctrl' and one of 'right', 'left', 'up' or 'down' keys. How to compress and uncompress groups? click (left mouse button) on the triangle on the top of the group brackets How to move sequences? ensure the move mode has been activated (by pressing the 'MOVE' button; upper most in the left panel of the ARB_EDIT4 window), position the mouse cursor ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/manual.hlp��������������������������������������������������������0000644�0126641�0000013�00000000551�11213220015�020344� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp #Please insert subtopic references (line starts with keyword SUB) SUB arb.pdf SUB man_arb_edit4.hlp TITLE ARB Manuals DESCRIPTION Several resources concerning ARB can be found on our Website at LINK{http://rtfm.arb-home.de/} �������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/markcolor.hlp�����������������������������������������������������0000644�0126641�0000013�00000001410�11213220015�021053� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tgroupcolor.hlp SUB set_color_of_listed.hlp SUB color.hlp SUB mark.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Mark color groups OCCURRENCE Species/Mark colored species Species/Unmark colored species Species/Swap marks of colored species DESCRIPTION Allows you to mark/unmark/swap marks of all species belonging (or not belonging) to one color group. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mark_genes.hlp����������������������������������������������������0000644�0126641�0000013�00000002005�11213220015�021176� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP genes.hlp #Please insert subtopic references (line starts with keyword SUB) SUB gene_search.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are Marked Genes ? DESCRIPTION All genes have a flag which can be set to FALSE or TRUE. All genes with the flag set to TRUE are called marked species. Normally this flag is used to specify a subgroup of genes and then perform some actions on these genes. NOTES None EXAMPLES Mark one known gene: 1. Search for the Gene: <ARB_NT/Genes/Search> 2. Select the gene 3. Mark it Mark a list of genes: 1. Search for the gene: <ARB_NT/Genes/search> 2. Press <Mark Listed/Unmark Rest> WARNINGS Be careful: The marked genes can be spread over several organisms w/o showing this in the ARB_GENEMAP window. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mark.hlp����������������������������������������������������������0000644�0126641�0000013�00000002216�11213220015�020021� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) SUB sp_search.hlp SUB configuration.hlp SUB colorize.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are Marked Species ? DESCRIPTION All species have a flag which can be set to FALSE or TRUE. All species with the flag set to TRUE are called marked species. Normally this flag is used to specify a subgroup of species for editors, tree building programs ... EXAMPLES Mark one known species: 1. Search for the species: <ARB_NT/Species/Search> 2. Select the species 3. Mark it Mark a list of species 1. Search for the species: <ARB_NT/species/search> 2. Press <Mark Listed/Unmark Rest> Mark all species in selected tree: 1. Unmark all species: <ARB_NT/species/unmark all sp> 2. <ARB_NT/Species/Mark Species in Tree> Mark a subtree: 1. Select the <MARK MODE> 2. Press the left mouse button at a subtree. ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mark_list.hlp�����������������������������������������������������0000644�0126641�0000013�00000001237�11213220015�021056� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP sp_search.hlp UP gene_search.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE MARK LISTED SPECIES/GENES OCCURRENCE ARB_NT/Species/Search: MARK LISTED UNMARK REST ARB_NT/Genes/Search: MARK LISTED UNMARK REST DESCRIPTION Marks all listed species/genes, unmarks all species which are not listed NOTES none EXAMPLES none WARNINGS Species list may be truncated BUGS none �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mark_long_branches.hlp��������������������������������������������0000644�0126641�0000013�00000004012�11213220015�022701� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Mark long branches OCCURRENCE ARB_NT DESCRIPTION Badly aligned sequences often result in long branches in the tree. Being able to identify those branches quickly helps to find those sequences. The programs allows to mark all species having an extra long branch compared with it's neighbour branch. Enter two values separated by comma into the input field: * first the minimum relative difference between two neighbour branches you want to have marked. Examples: 100 = mark branches that have more than the double length compared with their neighbour branch 10 = mark branches that are more than 10% longer 0 = mark branches that are longer than their neighbour branch * second the minimun absolute difference between two neighbour branches. The unit is the same as used in branchlength. NOTES If a branch was marked - it's parent branches will not be marked, i.e. the function does not mark ALL extra long branches, only those nearest to the tips of the trees will get marked - otherwise the output won't be useful. Intended workflow is: * Search long branches * Check alignment and data and maybe fix it * Recalculate tree parts (see LINK{pa_add.hlp}) * Search again. Now you most likely will find other branches. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/max_freq.hlp������������������������������������������������������0000644�0126641�0000013�00000002540�11440743001�020700� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Calculate the Percentage of the Most Frequent Base OCCURRENCE ARB_NT/SAI/create SAI/Max Frequency DESCRIPTION Finds the most frequent base in each column for all marked species. Than the number of all sequences with this base are divided by: a: the number of all marked sequences, if not ignoring gaps b: the number of bases in this column, if ignoring gaps The resulting percentage is divided by ten and the second last digit taken: 0% - 25% will never occur 25% - 29% -> '2' 30% - 39% -> '3' ... 90% - 99% -> '9' 100% -> '0' NOTE The result can be used as a conservation profile and filter: W.L.'s rule: The higher the number the more conserved the position. EXAMPLES Say one column contains 7 A's 4 G's and 5 Gaps. Ignoring Gaps will result in 7/11 == 64 % which is converted to '6'. Otherwise we get 7/16 == 44% which will be indicated by a '4' in the target sequence. NOTE '-' @#@ are regarded as gaps. '.' are always ignored. BUGS No bugs known yet ����������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/merge_species.hlp�������������������������������������������������0000644�0126641�0000013�00000002351�11213220015�021701� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB species_join.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Merge Similar Species OCCURRENCE ARB_NT/Species/Merge Species/Merge Similar Species ARB_NT/Sequence/Concatenate sequences/alignments DESCRIPTION "Merge Similar Species" creates new species by merging fields and alignments of several similar species. - Mark all species that should be examined for similarity. - Select a database field entry by clicking on the first button to set a similarity-criterion used to detect candidates for merging (for e.g., full_name). - Specify the new field name to which the "number of merged species" information is to be stored (e.g., merged_species). - Press MERGE SIMILAR SPECIES to start. NOTES There's a second function to merge species: see LINK{species_join.hlp} EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_alignment.hlp��������������������������������������������������0000644�0126641�0000013�00000002367�11213220015�021537� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP alignment.hlp #Please insert subtopic references (line starts with keyword SUB) SUB ad_align.hlp #************* Title of helpfile !! and start of real helpfile ******** TITLE Check and modify the consistency of two alignments OCCURRENCE ARB_INTRO/MERGE TWO DATABASES <Check Consistency of Alignments> button DESCRIPTION Checks the types of data stored within 'alignments' (see LINK{glossary.hlp}) for consistency to prevent merging of non homologous data such as 16S and 23S rRNA or protein and DNA sequence data. Press the 'Check Alignments' button to display the 'MERGE ALIGNMENTS' window. The 'Check' button checks all alignments. NOTES If any alignment exists only in database I then the alignment will be created in database II (but no sequences will be copied). If the alignment exists in both databases then the sequence_type will be compared If any inconsistencies are detected the user has to resolve them by pressing the 'MODIFY' button to display the 'ALIGNMENT CONTROL' window. This tool allows to modify the alignments. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_configs.hlp����������������������������������������������������0000644�0126641�0000013�00000002026�11213220015�021201� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Transfer Configurations OCCURRENCE ARB_INTRO <MERGE TWO ARB DATABASES> ARB_MERGE <Transfer Configurations> DESCRIPTION Transferres editor configurations. Press the 'Transfer Configurations' button of the 'ARB_MERGE' window to display the 'MERGE CONFIGS' window. Select source config from the left (database I) subwindow and the destination from the right (database II) subwindow. Press the 'Transfer Config' button below the 'Config' subwindows. To delete or rename configurations in the individual databases press the corresponding buttons below the 'Config' subwindows. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_extendeds.hlp��������������������������������������������������0000644�0126641�0000013�00000002515�11213220015�021537� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Transfer SAI Entries OCCURRENCE ARB_INTRO <MERGE TWO ARB DATABASES> ARB_MERGE <Transfer SAIs> DESCRIPTION Transferres 'SAI' entries (see LINK{glossary.hlp}) from database I to database II. Press the 'Transfer SAIs' button of the 'ARB_MERGE' window to display the 'MERGE SAIS' window. Select source 'SAI' from the left (database I) 'SAI' subwindow and the destination from the right (database II) 'SAI subwindow. Press the 'Transfer SAI' button between the 'SAI' subwindows. To delete or rename 'SAI's in the individual databases press the corresponding buttons below the 'SAI' subwindows. To save modifications pres the 'Save result' button of the 'ARB_MERGE' window. NOTES The names of source and destination 'SAI' may be different. If an 'SAI' should be transferred which does not exist within database II and no other destination 'SAI' has been specified the 'SAI' will be created in database II. EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_names.hlp������������������������������������������������������0000644�0126641�0000013�00000005503�11440743001�020666� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB rename.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Check and Update Names DESCRIPTION When merging two databases it is VERY IMPORTANT to use identical short names for identical species and different short names for different species. If not, data of different species will be merged or overwritten. Species are identified using the accession number and (optionally) one additional field. If you use an additional field, a different nameserver is used to rename species. Because of different name servers, merging two databases is only possible if both databases use no additional field or if they use the same. To rename all species in both databases, press the 'Check names...' button to open the 'SYNCHRONIZE NAMES' window. Make sure both databases use the same additional id. Press the 'Rename species' button to generate new names for both databases. NOTES Creates automatically unique names (=identifiers) for all species entries in the database. The entries are identified by their accession numbers (public databases). The names are created using the 'full_name' information. Usually, the first three letters are taken from the genus designation, the remaining letters from the species name. In some cases where you are absolutely sure that both databases use identical names for identical species, but renaming creates different names (e.g. because one DB lacks accession numbers) you can override renaming by checking the 'Override' toggle. WARNINGS If there are duplicated entries (same accession number - different 'full_name'; no accession number - same 'full_name') the different versions are indicated by appending running numbers separated from the 'name' by a dot. Normally merging is not allowed when there are duplicated species. You may override that behavior by checking 'Allow merging duplicates', but be warned: It is VERY DANGEROUS to merge when duplicated species are in your databases, cause there is no guarantee, that duplicates with the same .NUM suffix refer to the same species. You may easily overwrite or duplicate your data! Similar applies to the 'Override' toggle. Be careful! BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_preserve.hlp���������������������������������������������������0000644�0126641�0000013�00000005115�11440743001�021415� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Select species to use for alignment adaption OCCURRENCE ARB_MERGE/TRANSFER SPECIES (Adapt alignment/SELECT) DESCRIPTION Helps you finding candidates for alignment preservation. Normally people have inserted new gaps in one of the two databases. ARB Merge tries to adapt the alignment. To be able to do this, you have to specify one or more species or SAIs existing in BOTH databases. ARB Merge then creates a column reference list and realigns all transferred species according to this list. Press the 'Find candidates' button to search both databases for candidate species/SAIs and rate them. A list of species/SAIs shows up. The first column contains the name, the second column the number of alignments containing data for this species/SAI, the third column shows the position-count-difference (see below), the fourth column is the score (higher value means better). The list is sorted by score, i.e. best candidates are listed at the top. The term 'position-count-difference' is calculated like follows: For all alignments the number of non-gaps (i.e. neither '-' nor '.') are counted and the differences between these counts are summarized for all alignments. Best value is 0, which normally means the sequence data of the species (or the SAI data) didn't change. A high value means that species changed data and isn't a good candidate for alignment preservation. To enable this feature, enable the 'Adapt alignment' toggle. NOTES In our database releases we provide SAIs named 'gaps_...'. These SAIs are the best candidates for alignment preservation. When merging similar databases with many species, searching adapt candidates may take a long time. Press KILL in the status window to abort the process. EXAMPLES None WARNINGS Calculated SAIs (like MAX_FREQUENCY or POS_VAR_BY_PARSIMONY) show up on top but they are normally NO good candidates for preservation. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_species.hlp����������������������������������������������������0000644�0126641�0000013�00000007010�11440743001�021211� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB del_list.hlp SUB write_field_list.hlp SUB mod_field_list.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Compare and Transfer Species Entries OCCURRENCE ARB_INTRO <MERGE TWO ARB DATABASES> ARB_MERGE <Transfer Species> DESCRIPTION Allows * database searching, * comparison of the two databases, * transferring data from left to right * realigning sequences to new alignment Database Searching: To perform database searching within the individual databases use the left or right part of the 'TRANSFER SPECIES' window for database I (source) and database II (destination), respectively. The database is scanned for 'species' (see LINK{glossary.hlp}) which contain (or do not contain) the search string within the specified 'field' (see LINK{glossary.hlp}). The corresponding 'species' and the respective 'field' entries are listed in the 'HIT LIST' subwindow. The number of hits is displayed after the 'Hits:' prompt. Define whether matching or non matching species should be listed by pressing the appropriate combination of left and right buttons in the 'QUERY TYPE' area. Performing multiple searches, define whether the list of 'species' should be replaced by the new results, whether newly found 'species' should be removed from or appended to the existing list. Select a 'field' from the 'Fields' subwindow. Type the search string to the 'Search string' subwindow. Press the 'RUN QUERY' button of the results area. See also LINK{searching.hlp} and LINK{search_equal_fields.hlp}. Data Transfer: To transfer a single 'species' and all its 'field' entries, select the species from the list displayed in the 'HIT LIST' subwindow and press The 'TRANSFER SELECTED SPECIES' button in the middle column of the 'TRANSFER SPECIES' window. To transfer all listed 'species' and all corresponding 'field' entries, press the 'TRANSFER ALL LISTED SPECIES' button in the middle column of the 'TRANSFER SPECIES' window. To transfer the entries of a 'field' selected from the 'Search field' subwindow for all listed 'species, press the 'TRANSFER A FIELD FOR ALL LISTED SPECIES' button in the middle column of the 'TRANSFER SPECIES' window. To save modifications press the 'Save result' button of the 'ARB_MERGE' window. Adapt Alignment: ARB Merge tries to keep the alignment correct. Normally people have inserted new gaps in either the left or right database. By entering the name(s) of some reference species in the input box in the upper center of the TRANSFER SPECIES window, the program will try to find those species in both databases, create a column reference list, and realign all transferred sequences. To enable this feature, enable the 'Adapt alignment' toggle. NOTES None EXAMPLES For examples for database searching see LINK{sp_search.hlp}. WARNINGS The data will always be transferred from 'Database I' to 'Database II'. If you want to align sequences during transfer, it is recommended that the left database has fewer gaps than the right one. !!! If there are entries (for selected data) in both databases, those in 'Database II' will be overwritten.!!! BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_spec_sel_field.hlp���������������������������������������������0000644�0126641�0000013�00000001772�11440743001�022527� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Transfer one field of selected species OCCURRENCE ARB_MERGE/Transfer Species/Transfer Field ... DESCRIPTION Copies just one field from all listed species (left side) to the corresponding species ( == equal 'name') of database II. If the corresponding species does not exist then it will be created. There are two modes: 1. Copy Mode: Delete all fields of all corresponding species before copying data. 2. Append Mode (Strings Only) Append all fields of listed species in db I to corresponding field and species of db II NOTES Transferring fields that are not of string type in append mode does not work BUGS No bugs known ������./arbsrc_9167/HELP_SOURCE/oldhelp/mg_trees.hlp������������������������������������������������������0000644�0126641�0000013�00000002006�11213220015�020671� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Transfer Trees OCCURRENCE ARB_INTRO <MERGE TWO ARB DATABASES> ARB_MERGE <Transfer Trees> DESCRIPTION Transferres trees. Press the 'Transfer Trees' button of the 'ARB_MERGE' window to display the 'MERGE TREES' window. Select source tree from the left (database I) 'Trees' subwindow and the destination from the right (database II) 'Trees' subwindow. Press the 'Transfer Tree' button below the 'Tree' subwindows. To delete or rename trees in the individual databases press the corresponding buttons below the 'Tree' subwindows. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/missbase.hlp������������������������������������������������������0000644�0126641�0000013�00000002361�11213220015�020676� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Dot potentially missing bases OCCURRENCE ARB_EDIT4/Edit/Dot potentially missing bases DESCRIPTION This function changes all gaps ('-') where bases are possibly missing into dots ('.'). It applies to all (or all marked) sequences of one group. The cursor has to be placed on the consensus of the group. In columns where the group consensus shows an uppercase base, all gaps get replaced by dots. Additionally an SAI can be used to restrict the affected columns: - Select the wanted SAI - Edit characters that shall be used to select a column. Click on the 'Consensus' button to change the way how the consensus is calculated (see also 'LINK{e4_consensus.hlp}') NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_angle.hlp����������������������������������������������������0000644�0126641�0000013�00000003761�11440743001�021176� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ANGLE MODE OCCURRENCE ARB_NT < button in the left column> DESCRIPTION The 'ANGLE MODE' allows you to increase or decrease the angles of adjacent terminal branches or all angles within subtrees. Click on the eighth button in the left column of the 'ARB_NT' window to activate the 'ANGLE MODE'. Change the angle of terminal branches: Move the cursor to nay position along the edge connecting the two terminal branches and the rest of the tree. Click on the left or right mouse button repeatedly to gradually increase or decrease the angle. Change all angles of a subtree: Move the cursor to any position along the edge defining the subtree and proceed as described above. The subtree-defining branch is that located closest to the indicated root (open square) of the whole tree which is directly or indirectly connected to all branches of the subtree. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The displayed tree topology is exported to the drawing tool xfig. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. The scale bar and its label can be moved by positioning the cursor anywhere on the bar, keeping the left mouse button pressed, moving the cursor to the desired position and subsequently releasing the mouse button. The label of the bar can be moved independently. The previous angle(s) can be restored using the 'RESET MODE' ('RESET' button on the 'ARB_NT' window). EXAMPLES None WARNINGS None BUGS No bugs known ���������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_group.hlp����������������������������������������������������0000644�0126641�0000013�00000003400�11213220015�021223� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE GROUP MODE OCCURRENCE ARB_NT (<GROUP> button of the left column) F3 on the keyboard DESCRIPTION A group is a subtree with a name assigned to its root node. The 'GROUP MODE' allows display of subtrees (groups of species) as triangles (radial tree) or rectangles (dendrogram). You also can convert a subtree into a group. Click on the <GROUP> button of the 'ARB_NT' window or the 'F3' key on the keyboard to activate the 'GROUP MODE'. In the latter case, the cursor has to be placed within the tree display area. Group species: Move the cursor to that internal node of the displayed tree (section) which defines the subtree and click on the left mouse button. The subtree-defining node is that located closest to the indicated root (open square) root of the whole tree which directly or indirectly connects all branches of the subtree. Ungroup species: Press the left mouse button while the cursor is over the triangle of a group. Transform a subtree into a group and assign a name to it: Proceed as described above using the right mouse button. NOTES To store the groupings, assign any information ('SAI': name, fullname, ...) to them using the 'SPECIES INFORMATION' tool. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode.hlp����������������������������������������������������������0000644�0126641�0000013�00000002400�11213220015�020006� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_select.hlp SUB mode_mark.hlp SUB mode_group.hlp SUB mode_pzoom.hlp SUB mode_lzoom.hlp SUB mode_info.hlp SUB mode_www.hlp SUB mode_width.hlp SUB mode_rotate.hlp SUB mode_angle.hlp SUB mode_swap.hlp SUB mode_length.hlp SUB mode_move.hlp SUB mode_set_root.hlp SUB mode_reset.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE MODES OCCURRENCE ARB_NT <buttons in the first column> DESCRIPTION Pressing one of the buttons in the left column of the 'ARB_NT' window activates tree display and modification functions. NOTES Short descriptions of the 'MODEs' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. To execute the respective functions, the cursor has to be located within the tree display area while pressing the mouse buttons. You may also use the function keys to select a mode. F1 selects the topmost mode, F2 the next and so on. EXAMPLES None WARNINGS no warnings BUGS no bugs ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_info.hlp�����������������������������������������������������0000644�0126641�0000013�00000002711�11440743001�021035� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE INFO MODE OCCURRENCE ARB_NT <INFO> button in the left column F6 on the keyboard DESCRIPTION The 'INFO MODE' allows you to show or modify information assigned to terminal or internal nodes (i.e. species or groups of species). Press the <INFO> button of the 'ARB_NT' window or the 'F6' key on the keyboard to activate the 'INFO MODE'. In the latter case, the cursor has to be placed within the tree display area. The 'SPECIES INFORMATION' window is displayed. Select a species or an existing group: Move the cursor to the respective node and press the left mouse button. The corresponding information is displayed within the 'SPECIES INFORMATION' window. Create and select a group: Move the cursor to any corner or edge of the triangle (radial tree) or rectangle (dendrogram) representing the desired group and press the right mouse button. The corresponding information is displayed within the 'SPECIES INFORMATION' window. NOTES The selected node is indicated by an open square. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_kernlin.hlp��������������������������������������������������0000644�0126641�0000013�00000001621�11213220015�021534� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pars.hlp UP mode_nni.hlp UP mode_optimize.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE K.L. Optimization of the Tree OCCURRENCE ARB_NT/Tree/Parsimony/<K.L.> DESCRIPTION Searches for a better (more parsimonious) tree by swapping subtrees which are separated by up to 15 edges. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). On cycle of swapping is performed. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_length.hlp���������������������������������������������������0000644�0126641�0000013�00000003327�11440743001�021367� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE LENGTH MODE OCCURRENCE ARB_NT <button in the left column> DESCRIPTION The 'LENGTH MODE' allows you to increase or reduce the length of terminal and internal branches. Click on the tenth button in the left column of the 'ARB_NT' window to activate the 'LENGTH MODE'. Change branch length: The new branch length is defined by the internal node closest to the displayed root (open square) and the current position of the cursor!!! Move the cursor to any position along the branch, keep the left mouse button pressed, move the cursor to the desired position, release the button. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The displayed tree topology is exported to the drawing tool xfig. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. The scale bar and its label can be moved by positioning the cursor anywhere on the bar, keeping the left mouse button pressed, moving the cursor to the desired position and sub- sequently releasing the mouse button. The label of the bar can be moved independently. The previous branch length can be restored using the 'RESET MODE' ('RESET' button on the 'ARB_NT' window). EXAMPLE None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_lzoom.hlp����������������������������������������������������0000644�0126641�0000013�00000003070�11213220015�021232� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) SUB rst_log_zoom.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE LOGICAL ZOOM MODE OCCURRENCE ARB_NT <LZoom> button in the left column F5 on the keyboard DESCRIPTION The 'LOGICAL ZOOM MODE' allows you to display subtrees within the tree display area of the 'ARB_NT' window. Click on the <LZoom> button of the 'ARB_NT' window or press the 'F5' key on the keyboard to activate the 'LOGICAL ZOOM MODE'. In the latter case, the cursor has to be placed within the tree display area. Display a subtree: Move the cursor to that internal node of the displayed tree (section) which defines the subtree and click on the left mouse button. The subtree-defining node is that located closest to the indicated root (open square) of the whole tree which directly or indirectly connects all branches of the subtree. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. To restore the initial scale of the display choose the 'Reset Logical Zoom' item from the 'ETC' menu of the 'ARB_NT' window. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_mark.hlp�����������������������������������������������������0000644�0126641�0000013�00000002757�11213220015�021037� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mark.hlp UP mode.hlp #Title of helpfile !! and start of real helpfile TITLE MARK MODE OCCURRENCE ARB_NT <MARK> button (second button of the left column)> F2 on the keyboard DESCRIPTION The 'MARK MODE' allows you to mark and unmark individual species, or all species of a subtree. Click on the <MARK> button (first button in the left column) of the 'ARB_NT' window or the 'F2' key on the keyboard to activate the 'MARK MODE'. In the latter case, the cursor has to be placed within the tree display area. Mark single species: Move the cursor to any terminal branch or the left part of the information displayed at the terminal node and press the left mouse button. Mark all species of a subtree: Move the cursor to any position along the edge defining the subtree and proceed as described above. The subtree-defining branch is that located closest to the indicated root (open square) of the whole tree directly or indirectly connected to all branches of the subtree. NOTES The marked species are indicated by filled squares at the terminal nodes. Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. EXAMPLES None WARNINGS None BUGS No bugs known �����������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_move.hlp�����������������������������������������������������0000644�0126641�0000013�00000004137�11440743001�021054� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE MOVE MODE OCCURRENCE ARB_NT < button in the left column> DESCRIPTION The 'MOVE MODE' allows to change the topology of the displayed tree by moving subtrees. Click on the <MOVE> button in the left column of the 'ARB_NT' window. Move subtree: Move the cursor to any position along the edge defining the respective subtree, keep the left mouse button pressed while moving the cursor to the desired position on another edge, release the button to fix the position of the subtree. The subtree defining branch is that located closest to the indicated root (open square) of the whole tree directly or indirectly connected to all branches of the subtree. Move Group Info: @@@@@ Within the 'ARB_PARSIMONY' window, this mode can be used to test tree topologies with respect to maximum parsimony criteria by moving subtrees. The current parsimony value is shown after the 'Current Par' prompt and can be compared with the 'Optimum Par' value of the initial tree. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The displayed tree topology is exported to the drawing tool xfig. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. The scale bar and its label can be moved by positioning the cursor anywhere on the bar, keeping the left mouse button pressed, moving the cursor to the desired position and sub- sequently releasing the mouse button. The label of the bar can be moved independently. EXAMPLES None WARNINGS !!! No 'undo' function available yet !!! It is recommended to copy the tree before using the 'MOVE MODE'. BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_nni.hlp������������������������������������������������������0000644�0126641�0000013�00000001655�11213220015�020665� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pars.hlp UP mode_kernlin.hlp UP mode_optimize.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Nearest Neighbour Interchange OCCURRENCE ARB_NT/Tree/Parsimony/<NNI> DESCRIPTION Searches for a better (more parsimonious) tree by swapping the relative positions of subtrees separated by not more than one edge. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). On cycle of swapping is performed. EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_optimize.hlp�������������������������������������������������0000644�0126641�0000013�00000001653�11213220015�021737� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pars.hlp UP mode_kernlin.hlp UP mode_nni.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Nearest Neighbour Interchange and K.L. Optimization OCCURRENCE ARB_NT/Tree/Parsimony/<NNI + K.L.> DESCRIPTION Searches for a better (more parsimonious) tree by performing alternating cycles of 'Nearest Neighbour Interchange' and 'K.L.' optimizations. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_pzoom.hlp����������������������������������������������������0000644�0126641�0000013�00000003174�11440743001�021252� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) SUB rst_phys_zoom.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ZOOM MODE OCCURRENCE ARB_NT <PZoom> button in the left column F4 on the keyboard DESCRIPTION The 'ZOOM MODE' allows you to magnify selected square sections of the tree display area within the 'ARB_NT' window. Click on the <PZoom> button of the 'ARB_NT' window or press the 'F4' key on the keyboard to activate the 'ZOOM MODE'. In the latter case, the cursor has to be placed within the tree display area. Define and magnify a section: Position the cursor to define the first corner of the square to magnify. Keep the left mouse button pressed and move the cursor to define size and position of the region to magnify. Release the button. Reduce the zoom scale: To gradually reduce the zoom scale click on the right mouse button while the cursor is located within the tree display area of the 'ARB_NT' window. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. To restore the initial display choose the 'Reset Physical Zoom' item from the 'ETC' menu of the 'ARB_NT' window. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_reset.hlp����������������������������������������������������0000644�0126641�0000013�00000001663�11213220015�021222� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE RESET MODE OCCURRENCE ARB_NT <RESET> button in the left column DESCRIPTION The 'RESET MODE' allows to restore the previous tree topology after using the 'ROTATE', 'LENGTH', and 'MOVE MODE' pressing The left, middle, or right mouse buttons respectively. Click on the 'RESET' button to activate the 'RESET MODE'. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. EXAMPLES None WARNINGS !!! Only the most recent previous topology can be restored!!! BUGS No bugs known �����������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_rotate.hlp���������������������������������������������������0000644�0126641�0000013�00000004033�11440743001�021377� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ROTATE MODE OCCURRENCE ARB_NT <eighth button in the left column> F9 on the keyboard DESCRIPTION The 'ROTATE MODE' allows you to rotate branches or subtrees of the displayed tree. Click on the <eighth button in the left column> of the 'ARB_NT' window or press the 'F9' key on the keyboard to activate the 'ROTATE MODE'. In the latter case, the cursor has to be placed within the tree display area. Rotate terminal branch: Move the cursor to any position along the branch, keep the left mouse button pressed while moving the cursor, release the button to fix the position of the branch. Rotate subtree: Move the cursor to any position along the edge defining the subtree and proceed as described above. The subtree-defining branch is that located closest to the indicated root (open square) of the whole tree which is directly or indirectly connected to all branches of the subtree. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The displayed tree topology is exported to the drawing tool xfig. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. The scale bar and its label can be moved by positioning the cursor anywhere on the bar, keeping the left mouse button pressed, moving the cursor to the desired position and sub- sequently releasing the mouse button. The label of the bar can be moved independently. The previous topology can be restored using the 'RESET MODE' ('RESET' button on the 'ARB_NT' window). EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_select.hlp���������������������������������������������������0000644�0126641�0000013�00000001316�11213220015�021352� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mode_info.hlp SUB mode_group.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SELECT MODE OCCURRENCE ARB_NT <SEL> button (first button of left column) F1 on keyboard DESCRIPTION Like in the info mode you can select species by clicking them, but no info window pops up. When clicking on groups this mode works like the group mode. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_set_root.hlp�������������������������������������������������0000644�0126641�0000013�00000001730�11213220015�021731� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SET ROOT MODE OCCURRENCE ARB_NT <S.ROOT> ( button in the left column) DESCRIPTION The 'SET ROOT MODE' allows to position the root of the displayed tree to any of the edges. Click on the <S.ROOT> button to activate the 'SET ROOT MODE'. Set the root: Move the cursor to any position along the desired edge and click on the left mouse button. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The root is always placed to the middle of the edge. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_swap.hlp�����������������������������������������������������0000644�0126641�0000013�00000003103�11440743001�021050� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SWAP MODE OCCURRENCE ARB_NT <button in the left column> DESCRIPTION The 'SWAP MODE' allows you to exchange the positions of adjacent branches of the displayed tree. Click on the ninth button in the left column of the 'ARB_NT' window to activate the 'SWAP MODE'. Swap branches: Move the cursor to any position along the edge connecting the two branches and the rest of the tree (with respect to the indicated [open rectangle] root) and click the left mouse button. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The displayed tree topology is exported to the drawing tool xfig. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. Swapping adjacent subtrees, the topology within the subtrees is not changed The scale bar and its label can be moved by positioning the cursor anywhere on the bar, keeping the left mouse button pressed, moving the cursor to the desired position and sub- sequently releasing the mouse button. The label of the bar can be moved independently. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_width.hlp����������������������������������������������������0000644�0126641�0000013�00000002533�11213220015�021214� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE LINE MODE OCCURRENCE ARB_NT <'WIDTH'> button in the left column F8 on the keyboard DESCRIPTION The 'LINE MODE' allows you to gradually change the line width of the edges of the displayed tree individually. Click on the 'WIDTH' button of the 'ARB_NT' window or press the 'F8' key on the keyboard to activate the 'LINE MODE'. In the latter case, the cursor has to be placed within the tree display area. Change line width: Move the cursor to the desired edge of the displayed tree and gradually increase or decrease the line width by repeatedly clicking on the left or right mouse button. NOTES Short descriptions of the 'MODE' and the functions assigned to the mouse buttons are given in the fourth line of the 'ARB_NT' window. The selected line widths are exported to the drawing tool xfig. The middle mouse button (placed anywhere within the tree display area) can be used to move the whole tree. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mode_www.hlp������������������������������������������������������0000644�0126641�0000013�00000001143�11213220015�020715� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE WWW MODE OCCURRENCE ARB_NT (WWW button in leftmost column) F7 on the keyboard DESCRIPTION Starts default Web-Query in your browser. NOTES Configure this feature in Properties/WWW EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mod_field_list.hlp������������������������������������������������0000644�0126641�0000013�00000006745�11440743001�022066� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP sp_search.hlp UP gene_search.hlp UP security.hlp UP tags.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB parser.hlp #SUB commands.hlp #SUB regexpr.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE MODIFY FIELDS OF LISTED SPECIES/GENES OCCURRENCE ARB_NT/Species/Search/More Functions/Modify fields of listed ARB_NT/Genes/Search/More Functions/Modify fields of listed ARB_NT/Tree/NDS DESCRIPTION Finds and replaces substrings within fields/tagged subfields of all listed species/genes. The entries within the selected fields of all listed species/genes can be modified either individually or globally. Three different languages can be used to modify an entry: SRT: indicated by a leading ':' character ACI: indicated by a leading '|' character REG: indicated by sourrounding '/' characters Details: REG: Simple Regular Expressions (not for beginners) '/Search RegExpr/Replace String/' or '/Search RegExpr/' (see LINK{regexpr.hlp} for more details) SRT: Replaces substrings Syntax: ':old_string=new_string' (see LINK{parser.hlp} for more details) Example: remove all spaces with SRT ': =' Different search/replace commands can be performed simultaneously and have to be separated by ':' ':search1=replace1:search2=replace2: ... :searchn=replacen'. * and ? are wild cards for multiple and single characters, respectively. ACI: More sophisticated string manipulations Read LINK{commands.hlp} for more information. NOTES You may add new commands by editing one of the files: $ARBHOME/lib/sellists/mod_fields.sellst $ARBHOME/lib/sellists/mod_gene_fields.sellst You should save this file to another location when installing new versions of ARB or it will be overwritten. A better way is to create your own list(s). All list matching 'mod_fields*.sellst' will be loaded, where 'mod_fields.sellst' is loaded. If you have created any scripts which might be useful for other ARB users send them to LINK{arb@arb-home.de}. EXAMPLES ':p?r=p?1w' replaces par to paw pbr to pbw pcr to pcw ... ':p??r=p?2?1r' swaps the two letters between p and r ':a*=b*1' replaces only the first 'a' by 'b' ':?* *=?1. *2' Replaces the first word by its first letter + '.' ':\:=\n' replaces all ':' by <newline> ':*=*1 *(key1)' appends the database field <key1> ':*=*1 *(key1|nothing found)' appends the database field <key1> if <key1> does not contain entries append 'nothing found' 1. Global modification: Replace 'spec.' by 'sp.' within the field full_name of all listed species: Press: 'MODIFY FIELDS OF LISTED SPECIES' Select Field: 'full_name' Type Command: ':spec.=sp.' Press: 'GO' 2. Individual modification: Append the particular entries of fields 'title' and 'journal' to that of the fields 'author' of all listed species if there are any entries: Press: 'MODIFY FIELDS OF LISTED SPECIES' Select Field: 'author' Type Command: ':*=*1 *(title) *(journal)' Press: 'GO' NOTE Undo does work. WARNINGS Be careful if search or replace string contain special characters (such as ':'). BUGS No bugs known ���������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/mp_params.hlp�����������������������������������������������������0000644�0126641�0000013�00000002316�11440743001�021056� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP multiprobe.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk ******** TITLE Multiprobe parameters for calculation DESCRIPTION Missing NOTES Further parameters the user has to specify: - select how big the combination should be - select if the complement should be checked, too - select the minimum mismatch that unmarked species should have in the combination - for weighting mismatches there are three possibilities: 1. all mismatches are weighted equally 2. mismatches are weighted depending on which kind of mismatch occurred 3. mismatches are weighted stronger the nearer it occurs at the center of the probe - maximum non-group hits which are allowed for the calculation - last but not least the pt_server has to be chosen. Remember to use an up to date server !!! ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/multiprobe.hlp����������������������������������������������������0000644�0126641�0000013�00000010560�11440743001�021261� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp #Please insert subtopic references (line starts with keyword SUB) SUB arb.pdf SUB mp_params.hlp SUB multiproberesults.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk ******** TITLE Multiprobe Calculation DESCRIPTION Finds an optimal probe-triple given a set of probes. Often a group of species cannot be detected by a single oligo-nucleic probe. So several ( normally 3) probes are combined to get a better result. Each probe is labeled with a unique color (red, green and blue (and mixes of these)). NOTES WHAT DOES MULTI PROBE DO NOT It does not generate new probes ! WHAT DOES IT DO It combines a given set of probes (eg. the results of several probe design processes ). The MULTI PROBE main window shows two selection list. The upper left one is just used as a temporary clipboard. The upper right shows all probes that will be used in further calculations. INPUT As input a list of precomputed probes is expected. Normally you simply use the result from a former probe design session, you transfer the data using save and load. If you plan to use your probe design to get probes for MULTI PROBE, you should loosen the parameter set: SET high values for 'Max non group hits' ( +- 200) and low values for 'Min group hits (%)' (+- 30%) PARAMETERS PT_SERVER See LINK{pt_server.hlp} for more details Build select number of probes in target set Check complement check also the complement. This should be the default selection, if you are mixing probes with target sequences. Weight mismatches If set, minor mismatches and mismatches at the ends of the probe are down weighted. Max. non group hits As you can never be sure that your tree is absolutely correct, you allow a few non group hits. If you set this parameter to a too small value, you will not get any or good results. Min. mismatches for non group the better your technical assistant the lower the value of this parameter. Max mismatches for group Often a small mismatch ( GU instead of GC, or GA instead of TA) does not destabilize a probe. COMPUTATION Normally there are too many combinations of probes to be tested. So the program uses a heuristic approach to find a good but not optimal solution. The program never stops unless the user stops the computation by hand pressing the kill button. RESULT Read the result help text. NOTES You get much better results if all sequences are full sequences. Maybe you should delete all short sequences from the dataset, and create a new pt_server index file. The pt_server index file and the currently loaded database should be nearly identical. The program never stops. If you think you cannot wait any longer press kill and inspect the results. The target group and nothing else should be marked. Be sure that you don't forget species to mark, especially if you are not working with the complete tree. The buttons at the bottom of the window: - 'Compute' calculates possible results - 'Open result window' : This button can be chosen to go directly to the result window without calculation(i.e. to load an old result list) The colors for the probes can be specified in the ARB Properties->Tree: Color and Fonts ������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/multiproberesults.hlp���������������������������������������������0000644�0126641�0000013�00000001650�11213220015�022674� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP multiprobe.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk ******** TITLE Multiproberesults DESCRIPTION Shows the best multi-probes. Each multi-probe has a score, the higher the score the better. The user may add any string as a comment (or one of the three default comments) The selected multi-probe can be used to set the colors at the tips at the tree. First probe will be red, the second green, the third blue. If multiple probes hit a species it is displayed in mix-colors of red, green and blue. NOTE If you do not see any colors, try the following: - the colors in 'Properties/Tree-Colors' are misconfigured ����������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/namesadmin.hlp����������������������������������������������������0000644�0126641�0000013�00000006513�11440743001�021216� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NAME_SERVER ADMIN OCCURRENCE ARB_NT/Tools/Name server admin DESCRIPTION Delete old names file After using the nameserver for a while, the names database may contain several entries which are used nowhere. This happens e.g. if you've changed accession numbers during your data curation or if you had species in one of your database which you don't store anymore. To get rid of these unused names click 'Delete old names file'. Your names database will be deleted and names will be regenerated. Edit names file The names database is a simple text file, which may be modified with a texteditor. Use this feature with care! Remove ARB_XXXX entries ARB automatically generates accession numbers if they are missing. e.g if you import plain sequence data. Use this to get rid of all nameserver entries using ARB_xxx accession numbers. Additional species ID field If you have good reasons, why you have to keep several species with identical accession numbers in your databases, you'll normally get problems with the ARB nameserver, because it handles these species as "identical" and gives them names like 'HalHalob.2', 'HalHalob.3' etc. to mark them as duplicates. Here you can specify an additional DB-species-field, which will be used for species identification in addition to 'acc' (accession number). This setting is database-specific - so you have to set it for each database where it's needed. For each field you use, a separate name server will be generated. That means: - You have to add a new entry into arb_tcp.dat (except for field 'start' where a predefined entry exists) - Names between database using different additional fields (or no add. field) are NOT compatible. To merge such databases, change this setting such that both databases use equal additional fields and generate new names. Otherwise you'll most likely merge the data of non-equal species, which will corrupt your data! NOTES If you comment out the default ARB_NAME_SERVER entry in arb_tcp.dat, renaming with empty 'Additional species ID field' will lead to an error. Use this to avoid creating databases that use the standard name server with no additional field. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_align_seq.hlp��������������������������������������������������0000644�0126641�0000013�00000004054�11440743001�021524� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB pt_server.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Align Sequence OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Align Sequence DESCRIPTION Aligns or realigns selected sequence with the database sequences. The most similar database sequences are found, and the new sequence is aligned with these according to primary and secondary structure similarity. Choose the 'Align Sequence' item from the 'ARB_EDIT/EDIT' menu to display the 'ALIGNER' window. Select a sequence by positioning the cursor on the name and double clicking the left mouse button. Choose the appropriate 'PT_SERVER' database from the menu displayed after pressing the <Search relatives in> button. (For example, to align a 16S-like rRNA select 16s_rrna_aligned.arb.) Define whether the most closely related species of the database should be marked or not by pressing the <Mark used relatives> button. Press the <ALIGN> button. NOTES The search for the most similar sequences is performed by the 'PT-server'. This server needs a special external database for rapid search. This database is not synchronized with the current database and has to be updated from time to time by a computing-time expensive procedure ('ARB_NT/ETC/Probe Admin'). Marking the closest relatives allows manual optimization of the alignment of the new species with its closest relatives. EXAMPLES None WARNINGS The aligner version available with the present package often does not properly align short partial sequences. BUGS The aligner needs lots of computer memory, sometimes more than you have. In this case it may not align some sequences. The aligner does not align the last 3-6 bases of short sequences correctly. Look at the end of your sequences. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_compl.hlp������������������������������������������������������0000644�0126641�0000013�00000003772�11440743001�020702� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Complement Reverse OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Complement DESCRIPTION Complements and/or reverses (part of) sequences. This is helpful if sequences were entered the wrong way round or if potential higher order structure elements should be studied. Select a sequence by positioning the cursor on its name and pressing the left mouse button. Choose the 'Complement' item from the 'ARB_EDIT/EDIT' menu to display the 'COMPLEMENT and REVERSE' window. Define whether the sequence should be reversed, complemented or both by choosing from the menu displayed after pressing the <COMPLEMENT/REVERSE> button. Define whether the position of gap symbols should be maintained (default) or the gaps should be removed (press the <remove> button). Type left and right positions to the respective subwindows if part of the sequence should be complemented and/or reversed. In this case, press the <SEQUENCE PART> button. Press <REST SEQUENCE> or <REST EDITOR> to complement or reverse the sequence from the current cursor position to the (right) end of the sequence or the (right) end of the last (bottom) edited sequence, respectively. Press <SEQUENCE> or <ALL> to complement the selected sequence or all edited sequences (independent of the cursor position). NOTES None EXAMPLES None WARNINGS !!! It is recommended to copy the sequence data before performing the operations. Currently there is no way to prevent the export of the modified sequences to the database. Saving the database means saving the complemented sequences. !!!! Deleting gaps takes a lot of time. BUGS No bugs known ������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_copy_sequence.hlp����������������������������������������������0000644�0126641�0000013�00000001425�11440743001�022423� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Copy Sequence OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Copy Sequence DESCRIPTION Copies a sequence entry. Choose the 'Copy Sequence' item from the 'ARB_EDIT/EDIT' menu to display the 'COPY SELECTED SEQUENCE' window. Type a name to the 'COPY SELECTED SEQUENCE' window and press <GO>. NOTES The new sequence is displayed within the 'ARB_EDIT' window. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/nekey_map.hlp�����������������������������������������������������0000644�0126641�0000013�00000002414�11440743001�021046� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Customize Keyboard OCCURRENCE ARB_NT/ARB_EDIT/Props/Key Mappings DESCRIPTION Nucleotide (amino acid) and gap symbols can be assigned to any of the letter and symbol keys of the keyboard. This makes it easier to import sequence and SAI (sequence associated information) data by typing. Press the 'Key Mappings' button of the 'ARB_NT/ARB_EDIT/Props' menu to display the 'KEY MAPPINGS' window. Assign symbols to keys by typing the real key and symbol to the 'Map keyboard' and 'to ASCII' subwindows, respectively. Keymapping is only performed if 'Enable Mapping' is activated. NOTES None EXAMPLES None WARNINGS The user-defined key mappings are not available for typing of search and replace strings using the 'ARB_NT/ARB_EDIT/EDIT/ Search' and 'ARB_NT/ARB_EDIT/EDIT/Replace' tools. Be careful with ' ' symbols. They can also be mapped but are not visible to the user. BUGS None ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_new_sequence.hlp�����������������������������������������������0000644�0126641�0000013�00000001325�11440743001�022241� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Create Sequence OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Create DESCRIPTION Creates a new sequence entry. Type a name to the 'CREATE SEQUENCE' window and press <GO>. The new sequence is displayed within the 'ARB_EDIT' window. EXAMPLES None WARNINGS Save database first. BUGS Sometimes ARB crashes. Save database before doing this operation. �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_pretty.hlp�����������������������������������������������������0000644�0126641�0000013�00000003412�11440743001�021106� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Printing from Editor OCCURRENCE ARB_NT/ARB_EDIT/File/Pretty Print DESCRIPTION The data displayed by the editor cannot be printed directly but written to ASCII file, which can be printed. The corresponding tool is taken from the public domain software GDE and adopted for the special needs of the ARB editor. Press the 'Pretty Print' button of the 'ARB_NT/ARB_EDIT/File' menu to display the 'GDE/FILE/Pretty Print' window. Define whether SAI and/or helix symbols should be printed with the sequences by pressing the 'Print SAI' and/or 'Print helix' buttons, respectively. Define whether the data in the fixed (if) top and/or fixed (if) bottom part and/or (scrollable) middle part of the editing area should be printed by pressing the 'top area', 'middle area' or 'bottom area' buttons, respectively. Compress aligned data: Select a filter (gap symbols and zeros in SAI entries define alignment columns to delete) from the submenu displayed after pressing the button after the 'Filter:' prompt. Press one of the 'Compression' buttons. Pressing the 'vertical gap' button removes columns containing gap symbols common to all edited sequences. Pressing the 'all gaps' button removes all gap symbols and destroys the alignment! NOTES You need an ASCII printer or an ASCII to POSTSCRIPT converter. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/neprops_data.hlp��������������������������������������������������0000644�0126641�0000013�00000002026�11440743001�021554� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB neprops.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Setup of Editing Area OCCURRENCE ARB_EDIT/Props/Sequences Colors and Fonts DESCRIPTION Allows definition of colours and fonts for the editing area of the 'ARB_EDIT' window Choose the 'Sequences Colors and Fonts' item from the 'ARB_EDIT/Props' menu and select colours and fonts by choosing from the submenus or typing in the subwindows of the 'COLORS AND FONTS' window. NOTES Different colours and fonts can be used to indicate selected and non-selected sequences or the user-defined helix symbols. Line spacing for sequences and helix symbols can be defined independently (ARB_EDIT/Props/ETC). EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/neprops.hlp�������������������������������������������������������0000644�0126641�0000013�00000002361�11440743001�020565� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB neprops_data.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Line Spacing OCCURRENCE ARB_NT/ARB_EDIT/Props/ETC DESCRIPTION Line spacing of sequence data and helix symbols can be adjusted independently. Press the 'ETC' button of the 'ARB_NT/ARB_EDIT/Props' menu to display the 'EDIT_PROPERTIES' window. Define whether helix symbols should be shown with SAI (sequence associated information) entries by pressing the 'Show Helix for SAI'. This may be of interest with consensus sequences. Define line spacing for sequence and SAI entries by typing to the 'Line Space' subwindow. Define line spacing for Sequence entries and the corresponding helix symbols by typing to the 'Seq. - Helix Space' subwindow. NOTES The helix symbols are shown below the corresponding sequence entries and can be displayed in a different colour (ARB_NT/ARB_EDIT/Props/Data:). EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_replace.hlp����������������������������������������������������0000644�0126641�0000013�00000003403�11440743001�021172� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Replace Character String OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Replace DESCRIPTION Replaces characters or strings within the selected sequence or SAI entry. Select a sequence by positioning the cursor on the name and pressing the left mouse button. Position the cursor within the SAI or sequence entry. Choose the 'Replace' item from the 'ARB_EDIT/EDIT' menu to display the 'EDIT SEARCH' window. Type the search and replace strings to the 'SEARCH-STRING' and 'REPLACE-STRING' subwindows, respectively. Type the number of accepted mismatches to the 'Maximum mismatches' subwindow. Define whether lower and upper case symbols or T and U should be treated as matches or mismatches by pressing the <Case> or <T=U?> buttons respectively. Define whether gap symbols should be taken into account comparing search string and edited sequences by choosing from the menu displayed after pressing the <Consider Gaps> button. Press one of the <FIND ...> buttons to see the string within the sequence or SAI entry. Press <REPLACE>. Alternatively press one of the <... REPLACE ...> buttons. NOTES 'REPLACE TO END OF SEQUENCE' and 'REPLACE TO END OF EDITOR' replace all search strings from the current cursor position to the (right) end of the entry or the (right) end of the last (bottom) entry, respectively. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ne_search.hlp�����������������������������������������������������0000644�0126641�0000013�00000003010�11440743001�021016� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search Character String OCCURRENCE ARB_NT/ARB_EDIT/EDIT/Search DESCRIPTION Searches for character strings within the selected sequence or SAI entry. Select a sequence by positioning the cursor on the name and pressing the left mouse button. Position the cursor within the SAI or sequence entry. Choose the 'Search' item from the 'ARB_EDIT/EDIT' menu to display the 'EDIT SEARCH' window. Type the search string to the 'SEARCH-String' subwindow. Define number of accepted mismatches in the 'Maximum mismatches' subwindow. Define whether lower and upper case symbols or T and U should be treated as matches or mismatches by pressing the 'Case' or 'T=U?' buttons, respectively. Define whether gap symbols should be taken into account comparing search string and edited sequences by pressing the 'Consider Gaps' button. Press one of the 'FIND ...' buttons to execute the search. The cursor is positioned to the left of the detected string. NOTES Gaps within the aligned sequences should only be considered if the gap symbols are contained in the search string. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/next_neighbours_common.hlp����������������������������������������0000644�0126641�0000013�00000010112�11440743001�023643� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp #Please insert subtopic references (line starts with keyword SUB) SUB next_neighbours.hlp SUB next_neighbours_listed.hlp SUB faligner.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile @@@ ******** TITLE Nearest relative search OCCURRENCE ARB_NT/Search/More search/Search Next Relatives of SELECTED Species in PT Server ARB_NT/Search/More search/Search Next Relatives of LISTED Species in PT Server ARB_NT/ARB_EDIT/EDIT/Integrated Aligners SECTION ALGORITHM Splits the sequence(s) into short oligos of a given size. These oligos are 'Probe Matched' against the PT_SERVER database. The more hits within the sequence of another species, the more related the other species is. SECTION PARAMETERS PT-Server Select the PT-Server to search Oligo length Length of oligos used to perform probe match against the PT server. Default is 12. Mismatches Number of mismatches allowed per oligo. Default is 0. Be careful: The search may get incredible slow, when rising the number of mismatches. Search mode Complete: Match all possible oligos Quick: Only match oligos starting with 'A' The 'Quick mode' works well for many sequence types and is approx. 4 times faster than the 'Complete mode'. For some sequence types it completely fails, e.g. if there are repetitive areas containing many 'AAAAA' Match score: absolute: returns the absolute number of hits relative: returns the number of hits relative to maximum possible hits The score depends on several other parameters like number of allowed mismatches, search mode, oligo length and complement settings. The maximum absolute score is (length of relatives sequence) minus (oligo length) Practically this score is rarely reached, because several possible oligos are skipped, namely - all oligos starting with 2 identical nucleotides - all oligos containing IUPAC codes (or N's) If mismatches are used, each oligo may hit at several positions. Thus the maximum relative score may exceed 100% (and the maximum absolute score may exceed its theoretical maximum). If you use 'Quick mode' the mean relative score will be approx. 25% (assuming that 25% of the possible oligos start with an 'A'). That means.. only if you use - 0 mismatches, - 'Complete mode' and - your sequences contain no IUPACs and no repetitions, you will get a score of 100% (or sequenceLength-oligoLength) for the selected species itself and its duplicates. Complement: forward: Match only forward oligos reverse: Match only reverse oligos complement: Match only complement oligos reverse-complement: Match only reverse-complement oligos and all combinations of these. The combinations may affect the score as well! Note: Not available for EDIT4 aligner. NOTES None EXAMPLES None WARNINGS None ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/next_neighbours.hlp�����������������������������������������������0000644�0126641�0000013�00000003310�11440743001�022275� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile @@@ ******** TITLE Nearest relatives of SELECTED OCCURRENCE ARB_NT/Search/More search/Search Next Relatives of SELECTED Species in PT Server DESCRIPTION Scans PT_SERVER database for the nearest relatives of the currently selected species. SECTION DESCRIPTION See LINK{next_neighbours_common.hlp} for a description of the used algorithm and common parameters. When you press the SEARCH button, the next relatives of the selected species are listed in the Hits-box. Then number of species listed there is limited by the number given in the 'Results' field. Enter 0 to get unlimited output. When you press the 'MOVE TO HITLIST' button, the species list is transferred to the species search result list, where you're able to apply further actions to the found relatives (like mark or modify them). * Depending on the settings of 'Search/Add/Keep species' in the main query-window the species list is either replaced, added or kept. * Depending on the setting of 'that match/don't match the query' either the list of found relatives is applied or the rest of the species. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known yet ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/next_neighbours_listed.hlp����������������������������������������0000644�0126641�0000013�00000002666�11213220015�023647� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Nearest relatives of LISTED OCCURRENCE ARB_NT/Search/More search/Search Next Relatives of LISTED Species in PT Server DESCRIPTION Scans PT_SERVER database for the nearest relatives of the species currently listed in search window and writes them into a field of each of those species. See LINK{next_neighbours_common.hlp} for a description of the used algorithm and common parameters. SECTION PARAMETERS Dest field Specifies the field into which the information about found relatives is written. Entries Limits the number of relatives written into the DB field Add score Whether to add score information to the DB field or not. Min score Sets a lower limit for the relative or absolute score. Relatives with lower score are NOT written into the DB field. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/no_tree.hlp�������������������������������������������������������0000644�0126641�0000013�00000005642�11440743001�020537� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mark.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB nt_align_select.hlp SUB arb_edit.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE How to get an initial tree DESCRIPTION The main idea of ARB is to manage database access via a tree. [ You don't have a tree, but you may access all species data using 'Species/Search and Query'. ] There are several ways to construct an initial tree: Align the sequence data: 1. Mark all 'species' (see LINK{glossary.hlp}) Choose the item 'Mark all Species' from the menu 'Species' of the 'ARB_NT' main window (this program) (short: ARB_NT/Species/Mark all Species); 2. Select an alignment: <ARB_NT/3rd big Button in top area> (see LINK{nt_align_select.hlp}) 3. Start the editor: <ARB_NT/Sequence/Edit marked Sequences> (see LINK{arb_edit4.hlp}) 4. Align the data (by hand) Alternatively use ClustalV for aligning (few sequences only): Choose <ARB_NT/ETC/GDE> to activate the GDE extension. Choose <DNARNA/Clustal...> or <Protein/Clustal...> to display the ClustalV window; Click on <help>: read the help and set all parameters Choose an 'alignment' from the Alignment subwindow. Click on <GO> After some time ( 1min - several hours) The aligned data will be shown by the GDE editor. Save the data as: transfer (type: genbank) Quit the GDE program Reimport the data into ARB_NT: Set the protection level to 6 by clicking ob the <Protection> button and choosing from the displayed menu. Choose the 'Import ... (using GDE/readseq)' item from the 'File' menu to display the 'GDE/File/Import...' window. Type "transfer" to the 'Name of foreign file' subwindow Click on <GO> WARNING: Sequence names have to contain at least 3 characters. Reconstruct an initial tree: To get a good tree, you should use different treeing methods. To quickly get an initial tree we recommend to use neighbour joining: DNA/RNA or Protein sequence: Choose the 'Neighbour joining' item from the 'Tree' menu to display the 'NEIGHBOUR JOINING' window. See help for setting parameters and tree reconstruction Show tree: Click on the <tree_*> (2nd big rectangular) button in top area and choose the respective tree Save everything: Choose the 'Save Whole Database as' item from the 'File' menu. NOTES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/nt_align_select.hlp�����������������������������������������������0000644�0126641�0000013�00000001566�11440743001�022237� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp #UP arb_ntree.hlp #SUB alignment.hlp #SUB ad_align.hlp TITLE Select an Alignment OCCURRENCE ARB_NT/(3rd broad rectangular button in top-area) DESCRIPTION Different 'alignments' (see LINK{glossary.hlp}) each comprising aligned sequences of different genes or nucleic acid and predicted amino acid sequences, respectively, assigned to the same species can be stored in one database. The name of the currently accessible alignment (ali_*) is shown in the respective button (ARB_NT/3rd broad rectangular button in top-area) To switch to another dataset press the button and select one from the 'SELECT AN ALIGNMENT' window. NOTES None EXAMPLES None WARNINGS Running editors are not informed about a change of that entry. You have to restart them. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/nt_keys.hlp�������������������������������������������������������0000644�0126641�0000013�00000003765�11440743001�020564� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_NTREE keyboard reference OCCURRENCE Focus main area and press one of the hotkeys below DESCRIPTION Here's the list of keys recognized by ARB_NTREE: Key Description ========================================== m mark/unmark (sub-)tree i invert marks of (sub-)tree x expand (Unmarked,All) c collapse (Terminal,All) If you point on a subtree while pressing one of the keys, the action is performed on the subtree. Otherwise (if you point somewhere outside of the tree) the whole tree is targeted. If you press < SHIFT + Key > the function works on the opposite set: - Instead of the subtree, the rest of the tree is targetted. - Instead of the whole tree, all species NOT in tree are targetted. If you press < CTRL + Key > the function works on ALL species (if it makes sense). NOTES Expanding/collapsing is implemented in such way, that some key-combinations lead to determined tree-displays. Examples: Key-Combo similar to ================================================= cc group all ccx group all except marked xx ungroup all xxc group terminal groups If a subtree does not contain unfolded groups the collapse keys target the first parent group instead. EXAMPLES None WARNINGS None BUGS No bugs known �����������./arbsrc_9167/HELP_SOURCE/oldhelp/nt_props_data.hlp�������������������������������������������������0000644�0126641�0000013�00000001656�11213220015�021733� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode_mark.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Tree Display OCCURRENCE ARB_NT/Properties/Data: DESCRIPTION Allows to define colours and fonts for the tree display area of the 'ARB_NT' window. Press the 'Tree:' button of the 'ARB_NT/Properties' menu and select colours and fonts by using the respective submenus or typing in the respective subwindows of the 'COLORS AND FONTS' window. NOTES Different colours and fonts can be used to indicate marked and unmarked species as well as branches or groups containing marked and unmarked species. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/nt_tree_select.hlp������������������������������������������������0000644�0126641�0000013�00000002022�11213220015�022061� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP tr_type_radial.hlp UP tr_type_list.hlp UP treeadm.hlp UP tree2file.hlp UP tree2prt.hlp #UP tree_group.hlp #UP tree_reduce.hlp UP dist.hlp UP phylo.hlp UP phyl.hlp UP pars.hlp #UP tree_desoete.hlp #UP tree_phylip.hlp #UP tree_fastdnaml.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SELECT A TREE OCCURRENCE ARB_NT<second broad rectangular button in top area> DESCRIPTION Different trees for the same data (sub) sets can be stored in the database. The name of the currently edited tree (tree_*) is shown in the button <second broad rectangular button in top area>. To display another tree press the button and select a tree from 'SELECT A TREE' window. NOTES None EXAMPLES None WARNINGS None BUGS None ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/nt_tree_settings.hlp����������������������������������������������0000644�0126641�0000013�00000003305�11213220015�022447� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode_width.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Tree Settings OCCURRENCE ARB_NT/Properties/Tree Settings DESCRIPTION Various tree display settings are available: - 'Base line width' defines the thickness of branches - 'Relative vertical distance' allows to stretch the tree in vertical direction (dendrogram only) - 'Auto Jump' does the same as the JUMP button in the main window each time the selected species is changed (e.g. from search tool). - 'Show bootstrap circles' toggles the display of bootstrap circles (only available if the tree contains bootstrap values). - If 'Use ellipse' is active, ellipses instead of circles are drawn in dendrogram tree. - 'Bootstrap circle zoom factor' allows to increase/reduce the size of the boostrap circles/ellipse - 'Boostrap radius limit' allows to limit the max. bootstrap circle/ellipse size. - 'Grey Level of Groups%' (for printing/Xfig only) The changes can be saved to files 'arb_prop*' located in the users home directory by choosing the "Save Defaults'. NOTES The line width of individual branches can be changed independently using the 'LINE WIDTH MODE'. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/optimize.hlp������������������������������������������������������0000644�0126641�0000013�00000002645�11213220015�020735� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #SUB subtopic.hlp @@@ TITLE Optimize Database OCCURRENCE ARB_NT DESCRIPTION Sequence data normally need's a lot of memory. To be able to handle thousands of sequences we implemented an online compression. All data is compressed most of the time and only uncompressed on demand. As a user you only find smaller database files, that's all. Without understanding the data, the program can compress data only by a limited factor. With the help of a tree aligned sequences can be compressed much better by storing only the differences to a consensus sequence. Once a sequence is compressed using a tree, it will keep the good compression method until it is changed. Then only the older method is used. As long as you change only a few (up to 100) sequences, the database won't grow very much. To compress the entire database, the program needs a tree, which should cover most of the sequences. The larger and better the tree, the better the compression. EXAMPLE 10000 aligned 16s sequences need 50 mega-bytes of memory. Without your help ARB will reduce them to 10 mega-bytes, and given a tree not more than 2 mega-bytes will be needed. NOTES Any major database update, especially inserting or deleting gaps in an alignment, should be followed by a new optimization step. BUGS No bugs known �������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/organism_mark.hlp�������������������������������������������������0000644�0126641�0000013�00000001412�11213220015�021715� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mark.hlp SUB organisms.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Marking Organisms OCCURRENCE ARB_NT/Organisms/Gene-Species/... ARB_GENE_MAP/Organisms/... DESCRIPTION Marking organisms works similar to marking species. You can select to - mark all organisms - mark all organisms and unmark all other species - unmark all organisms or - invert marks of all organisms. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/organisms.hlp�����������������������������������������������������0000644�0126641�0000013�00000002113�11213220015�021065� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB species.hlp SUB genes.hlp SUB gene_species.hlp SUB organism_mark.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are Organisms? OCCURRENCE Everywhere DESCRIPTION An Organism is a special kind of species. It contains the whole genom sequence of a micro-organism in an alignment called 'ali_genom'. The sequence stored in that alignment has to be unaligned (=no gaps). Further it contains information about genes. Organisms do not occur in a normal ARB database (i.e. a 16s database). To work with organisms you have to import a genome-flatfile into a new database. NOTES To create alignments of genes you need to create gene-species. EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_add.hlp��������������������������������������������������������0000644�0126641�0000013�00000002004�11213220015�020272� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pa_add_sel.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Add Marked Species and Local Optimization OCCURRENCE ARB_NT/Tree/Parsimony/Tree/Add Marked Species + NNI DESCRIPTION All 'marked species' (see LINK{glossary.hlp}) are positioned according to maximum parsimony criteria. Local optimization of the current tree is performed by swapping subtrees which are separated by not more than one edge. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). EXAMPLES None WARNINGS No global optimization is performed BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_add_sel.hlp����������������������������������������������������0000644�0126641�0000013�00000002017�11213220015�021141� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Add Selected Species and Local Optimization OCCURRENCE ARB_NT/Tree/Parsimony/Tree/Add Selected Species + NNI DESCRIPTION The 'selected species' (see LINK{glossary.hlp}) is positioned within the current tree according to maximum parsimony criteria. Local optimization of the current tree is performed by swapping subtrees which are separated by not more than one edge. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). EXAMPLES None WARNINGS No global optimization is performed BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_bootstrap.hlp��������������������������������������������������0000644�0126641�0000013�00000003574�11440743001�021603� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp TITLE Estimation of Bootstrap by Parsimony OCCURRENCE ARB_NT/Tree/Parsimony DESCRIPTION Given a large tree, traditional ways to calculate bootstrap values are by magnitudes to slow. So a faster algorithm was developed: the bootstrap value for each branch is calculated under the assumption that all other branches have a 100% value. Doing this we get an upper limit for the real bootstrap values. NOTES The program does not use the traditional Monte Carlo method to estimate the bootstrap values, but calculates them correctly under the assumption that the tree changes only locally. Try different filters and see the effect on the tree. SECTION ALGORITHM For each branch B do: a b \ / >-------------< / B \ c d exchange a with b ( or a with d ) and count all columns in the alignment with a greater/smaller/equal minimal number of mutations than the original tree. result: n_plus, n_minus, n_equal freq_n_plus = n_plus/ (seq_len) ... Bootstrap value = sum of for all i = 1.. seqlen do for all combinations of np, nm,ne with np - nm == i do sum += freq_n_plus ^ np * freq_n_minus ^ nm * freq_n_equal ^ ne * seq_len! / np! /nm! /ne! done done SECTION PUBLIC This algorithm is not published and I am not going to publish it. If you feel the strong need to do this, please don't forget to mention me (Oliver Strunk <strunk@mikro.biologie.tu-muenchen.de>) WARNINGS Use filters to exclude superfluous gaps and to increase bootstrap values BUGS Does not work with weights Does not work with proteins ������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_branchlengths.hlp����������������������������������������������0000644�0126641�0000013�00000006731�12050705371�022414� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Calculate Branch Lengths OCCURRENCE ARB_NT/Tree/Parsimony/Tree/Calculate Branch Lengths DESCRIPTION Calculates branchlengths for the current tree. SECTION Inner branches To calculate the lengths of non-terminal branches, branch swapping is used on them. Branch swapping (aka NNI=Nearest Neighborhood Interchange) is the most atomic operation possible at an inner branch and has as such an effect on the overall costs of the tree. That effect is used as branchlength of the inner branch. The branchlength reflects the significance of the branch, i.e. - the exact topology around SHORT inner branches has little influence on the overall tree costs, i.e. the calculated topology does most likely NOT reflect the "real phylogentic topology". - Opposed, the exact topology around LONG inner branches has big influence on the overall tree costs, i.e. the calculated topology does most likely reflect the "real phylogentic topology". SECTION Terminal branches For terminal branches ARB_PARSIMONY checks how much the overall tree costs changed by adding this species to the tree. The price is weighted by the base-count of the species. i.e. - if the species has an identical relative in the tree and is added as neighbor of that relative, the resulting branchlength will be zero. - if added the species increases the tree costs by 50 and the species contains 100 bases, the resulting branchlength will be 0.5 This does quite accurately reflect the percentage of residues changed against the rest of the tree. SECTION Partial sequences If you add species with partial sequences as fulllength-species, they will group together in distant subtrees. But if species are flagged to contain "partial sequences" (this is done by "Add marked partial species"), they are handled differently: - Each partial species corresponds to one non-partial species - The partial-species is always inserted "below" the corresponding full-species. Multiple partials may correspond to the same full-species. - By adding that partial sequence to the tree, the tree costs only raise by the weighted mismatches in the region that overlaps (opposed, non-partial sequences would as well count the missing part as "gap insertions", i.e. the costs for adding a sequence as "partial" are MUCH cheaper). Species with partial sequences have the field "ARB_partial" set to 1 SECTION Used terms - overall tree costs: minimum number of mutation in the tree - base-count: without filtered positions. affected by specified weights. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_optimizer.hlp��������������������������������������������������0000644�0126641�0000013�00000001117�11213220015�021570� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Global Optimization OCCURRENCE ARB_NT/Tree/Parsimony/Tree/Global Optimization DESCRIPTION Performs global optimization of the current tree. NOTES None EXAMPLES None WARNINGS !!! Not implemented yet.!!! BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_partial.hlp����������������������������������������������������0000644�0126641�0000013�00000002163�11213220015�021204� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pa_quick.hlp UP pa_add.hlp #Please insert subtopic references (line starts with keyword SUB) SUB partial_sequences.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Add marked partial species OCCURRENCE ARB_PARRSIMONY/Tree/Add species to tree DESCRIPTION Use this to add partial sequences into an existing tree. NOTES The branchlengths of the added partial sequences represent the number of mutations against the full sequence. Adding species using this function marks them as "partial sequence" if they have no 'ARB_partial' entry yet. Otherwise insertion is aborted. All species already in tree are marked as "full sequence" if they have no 'ARB_partial' entry yet. EXAMPLES None WARNINGS Calculating branch length after adding partial sequences will lead to wrong lengths. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_quick.hlp������������������������������������������������������0000644�0126641�0000013�00000002155�11440743001�020674� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pars.hlp UP pa_quick_sel.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Add Marked Species OCCURRENCE ARB_NT/Tree/Parsimony/Tree/Add Marked Species DESCRIPTION All 'marked species' (see LINK{glossary.hlp}) are positioned according to maximum parsimony criteria. The current tree topology is not changed. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). This tool should be used for the positioning of 'species' for which only partial or preliminary sequence data are available. EXAMPLES None WARNINGS The phylogenetic information conferred by the new sequence(s) is not used for global tree optimization. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pa_quick_sel.hlp��������������������������������������������������0000644�0126641�0000013�00000002147�11440743001�021540� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Add Selected Species OCCURRENCE ARB_NT/Tree/Parsimony/Tree/Add Selected Species DESCRIPTION The 'selected species' (see LINK{glossary.hlp}) is positioned within the current tree according to maximum parsimony criteria. The current tree topology is not changed. NOTES The current parsimony value (number of base changes needed) is displayed after the 'Current Par' prompt in the upper part of the 'ARB_PARSIMONY' window and the 'Message' window (pops up while calculating). This tool should be used for the positioning of 'species' for which only partial or preliminary sequence data are available. EXAMPLES None WARNINGS The phylogenetic information conferred by the new sequence is not used for global tree optimization. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/parser.hlp��������������������������������������������������������0000644�0126641�0000013�00000006757�11440743001�020410� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB commands.hlp SUB regexpr.hlp TITLE Search and Replace Tool (SRT) DESCRIPTION The String Parser is used to search and replace substrings. OCCURRENCE TREE/Species/Search:PARSE FIELD TREE/Properties/NDS SECTION SYNTAX 'search=replace' means search all occurrences of 'search' and replace it by 'replace' Different search/replace commands can be separated by ':': 'search1=replace1:search2=replace2: ... :searchn=replacen' SECTION SPECIAL CHARACTERS Search && Replace string: : separates two commands = separates the search from the replace string \ Escape symbol \\ the '\' symbol itself | newline \t tabulator \: ':' \= '=' \? '?' \* '*' Search string: ? single letter wildcard * multi letter wildcard Replace string: ? a reference to the corresponding single letter wildcard in the search string (if no digit or '(' follows). ?n n = { 1,...,9 } a reference to the n'th single letter wildcard in the search string * a reference to the corresponding multi letter wildcard in the search string (no digit or '(' follows). *n n = { 1,...,9 } a reference to the n'th multi letter wildcard in the search string *(key) the value of a database field named <key> if this field does not exits then the string '' *(key#mystring) the value of a database field named <key> if this field does not exits then the string 'mystring' *(key\:nsrt) invokes the SRT recursively on the value of the database field 'key' NOTE: All ':' have to be 'escaped' *([key]|ACI) starts ACI (see LINK{commands.hlp}) on the value of '[key]' (which may be empty). EXAMPLES 'p?r=p?w' replaces all par to paw pbr to pbw pcr to pcw ... 'p??r=p?2?1r' swaps the two letters between p and r 'a*=b*' replaces only the first 'a' by 'b' '?* *=?. *2' Replaces the first word by its first letter + '.' '\:=\n' replaces all ':' by <newline> '*=* *(key1)' appends the database field <key1>. if <key1> does not exists append nothing '*=* *(key1#no info)' appends the database field <key1> if <key1> does not exists append 'no info' '*=*(key2\: =)' The value of 'key2' with all spaces removed '*=*(key2|remove(.-))' the value of the database entry 'key2', but all '.' and '-' characters removed WARNINGS Be careful when search or replace string contain special characters (such as ':'). Avoid to write too complicated commands. BUGS None �����������������./arbsrc_9167/HELP_SOURCE/oldhelp/pars.hlp����������������������������������������������������������0000644�0126641�0000013�00000003153�11440743001�020044� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_pars.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB sel_fil.hlp SUB phyl.hlp SUB phylo.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB Parsimony OCCURRENCE ARB_NT/Tree/Add species to existing tree/Parsimony ... DESCRIPTION In this release, 'ARB Parsimony' cannot be used to reconstruct new trees. Existing trees can be optimized at different levels (depths) according to maximum parsimony criteria. New sequences (species) can be placed rapidly into an existing tree. This can be done without changing that tree or allowing optimization at different levels according to maximum parsimony criteria including the new information for calculation. Filters for the in- or exclusion of alignment columns ('ARB_NT/SAI; ARB_NT/Tree/Dist Matrix) can be selected. After selecting one of the parsimony items in 'Tree/Add species to existing tree' the 'SET PARSIMONY OPTIONS' window appears: - Select the tree (to be modified) from the 'Tree:' subwindow. - Select an 'alignment' (see LINK{glossary.hlp}) from the 'alignment:' subwindow. - To select a filter display the 'Select Filter' window pressing the button after the 'Filter:' prompt (see LINK{sel_fil.hlp}). - Press the <GO> button to display the 'ARB_PARSIMONY' window. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/partial_sequences.hlp���������������������������������������������0000644�0126641�0000013�00000002066�11213220015�022601� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Partial sequences OCCURRENCE General DESCRIPTION Species should contain an entry 'ARB_partial' specifying whether the associated sequence is a "full sequence" or a "partial sequence". If 'ARB_partial' is 1 then the sequence is considered partial. There's a special function to add partial sequences (see LINK{pa_partial.hlp}). NOTES There are several function to find and mark species with partial or full sequence in the Species menu. EXAMPLES None WARNINGS Partial sequences cannot be used to calculate trees. Currently this isn't forbidden, but highly unrecommended!!! BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pd_spec_param.hlp�������������������������������������������������0000644�0126641�0000013�00000002726�11440743001�021701� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP probedesign.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Weighting of Base Pairings OCCURRENCE ARB_NT/ETC/Probe Design/PROBE DESIGN/EXPERT DESCRIPTION Allows to adjust values indicating the relative strengths of base (mis) pairings. These values are used by ARB_PROBE for the ranking of potential probe target sites. Define weights: Type the values to the corresponding subwindows of the 'Relative Strength of Base Pairings' matrix. Define threshold for splitting melting domains: Type a value to the 'Threshold for Splitting' subwindow. This value is subtracted from the mean of all pairing values of the potential probe target hybrid. If the resulting value is lower than that of a particular mispairing, it is assumed that the remaining base paired stretches melt independently. The dissociation temperature of the whole hybrid is that of the more stable part of it. NOTES None EXAMPLES None WARNINGS The criteria used for probe target site ranking are based on experimental experience. However, optimum conditions have to be determined experimentally for the particular probe target hybrids. BUGS No bugs known ������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pfold.hlp���������������������������������������������������������0000644�0126641�0000013�00000010142�11440743001�020177� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP arb_ntree.hlp UP e4.hlp UP arb_edit4.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real strunk ******** TITLE Protein Alignments OCCURRENCE ARB_EDIT4 ARB_NTREE DESCRIPTION Protein gene sequences and (predicted) protein primary structures (= amino acid sequences) as well as protein secondary structures can be stored in the ARB database and protein alignments can be created. Using import filters amino acid sequences and/or protein secondary structures can be imported from DSSP files. Refer to LINK{arb_import.hlp} and especially LINK{dssp_ift.hlp} for information on how this is done, please. Description of the DSSP code and format as well as an example file can be found there, too. Once a protein secondary structure is present as species in the database it can be converted to an SAI (see LINK{sp_sp_2_ext.hlp}) to use it as reference for comparing other protein secondary structures or amino acid sequences. SAIs can be created from the protein secondary structure information in a special field named 'sec_struct', too (see LINK{pfold_sai.hlp}). This is useful, if one has a protein secondary structure aligned along with the amino acid sequence. An approach for visualizing matches between protein structures has been incorporated in ARB. The match computation for sequences and secondary structures is based on the Chou-Fasman algorithm (see below) or adaptions to it and depends on the used match method. The match methods are described in detail in LINK{pfold_props.hlp} along with all other related settings that can be configured via the 'Properties' menu. SECTION Overview of the Chou-Fasman Algorithm The Chou-Fasman algorithm is a statistical method for predicting a protein secondary structure from its amino acid sequence. It is based on the fact that certain amino acids tend to form or break alpha-helices ('H'), beta-sheets ('E') and beta-turns ('T'). The experimentally obtained Chou-Fasman parameters (former and breaker values) are used to predict the possible occurrence of the individual structure types which can then be merged to create a secondary structure summary. Further information on how this approach is used for protein structure match computation can be found in LINK{pfold_props.hlp} in section 'Description of Match Methods'. SECTION REFERENCES [1] Chou-Fasman Algorithm Details on the Chou-Fasman algorithm can be found in the original paper: "Chou, P. and Fasman, G. (1978). Prediction of the secondary structure of proteins from their amino acid sequence. Advanced Enzymology, 47, 45-148.". [2] DSSP The DSSP program was developed to standardize secondary structure assignment. It assigns protein secondary structures to amino acid sequences from the amino acids' crystallographic atom coordinates as specified by protein entries in the Protein Data Bank (PDB). The program can be found on the web at "LINK{http://swift.cmbi.ru.nl/gv/dssp/}". Details on the algorithm can be found in "Kabsch, W. and Sander, C. (1983). Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Biopolymers, 22 (12), 2577-2637. PMID: 6667333; UI: 84128824." NOTES The used method for protein secondary structure prediction, i.e. the Chou-Faman algorithm, is fast which was the main reason for choosing it. Performance is important for a large number of sequences loaded in the editor. However, it is not very accurate and should only be used as rough estimation. Thus, the match computation can only give an approximate overview if a given amino acid sequence matches a certain secondary structure. EXAMPLES None WARNINGS !!! Protein secondary structure in the field 'sec_struct' is not aligned automatically with the sequence (yet). It has to be aligned manually !!! BUGS The editor might be unstable and can crash if sequences are not formatted. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pfold_props.hlp���������������������������������������������������0000644�0126641�0000013�00000011544�11440743001�021431� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP e4.hlp UP pfold.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Protein Match Settings OCCURRENCE ARB_EDIT4/Properties/Protein Match Settings DESCRIPTION In the 'Protein Match Settings' window the protein structure match computation can be configured. The settings are described in the following section. SECTION Configuration Show protein structure match: Toggle display of protein match symbols Selected Protein Structure SAI: The protein secondary structure SAI used as reference for match computation. The default is 'PFOLD'. Filter SAI names for: Via a filter the SAIs shown in the option menu can be narrowed down to a selection of SAIs whose names contain the specified string. This is useful for a great number of SAIs to quickly find the one that should be used. Default is 'pfold'. Match Method: The used method for protein structure match computation. Default is 'Secondary Structure <-> Sequence' which is most probable the method of choice. Details on the different methods can be found below in section 'Description of Match Methods'. Match Symbols (only relevant for the match method 'Secondary Structure <-> Sequence'): Ten symbols that represent the match quality ranging from 0 - 100% in steps of 10%. Take care to enter exactly ten symbols. Note that spaces (' ') are symbols, too. Pair definitions (only relevant for the match methods 'Secondary Structure <-> Secondary Structure' and 'Secondary Structure <-> Sequence (Full Prediction)'). Each line contains two textfields: - The left textfield contains one or more amino acid pairs. Each pair contains two characters (amino acids, gaps-characters, ...). Pairs are separated by spaces (' '). - The right textfield contains the match symbol used for each of the specified pairs. SECTION Description of Match Methods Match Method 'Secondary Structure <-> Secondary Structure' Use this method if you want to compare protein secondary structures only. The characters representing species secondary structures are compared one by one with the ones of the selected secondary structure SAI using the pair definitions and the defined match symbols. If undefined pairs are encountered the 'Unknown_match' symbol is displayed. Match Method 'Secondary Structure <-> Sequence' Species amino acid sequences are compared with the selected secondary structure SAI by taking cohesive parts of the structure - gaps in the alignment are skipped - and computing values from 0 - 100% (in steps of 10%) for the match quality which are mapped to the defined match symbols. The whole part is marked with that symbol. Note that bends ('S') are assumed to fit everywhere (=> best match symbol), and if a structure is encountered but no corresponding amino acid the worst match symbol is displayed. Match Method 'Secondary Structure <-> Sequence (Full Prediction)' Species amino acid sequences are compared with the selected secondary structure SAI using a full prediction of secondary structures from their sequences (via the Chou-Fasman algorithm) and comparing the characters one by one with the reference structure SAI. Note that not the structure summaries are used for comparison, but individually predicted alpha-helices ('H'), beta-sheets ('E') and beta-turns ('T'). The pair definitions are searched in ascending order, i.e. good matches first, then the worse ones. If a match is found the corresponding match symbol is displayed. Note that if a structure is encountered but no corresponding amino acid the worst match symbol is displayed. NOTES - The menu entry 'Properties -> Protein Match Settings' is only shown for protein alignments ('Alignment Information -> <Type of Sequences>: pro', see LINK{ad_align.hlp}). - The match computation for sequences and secondary structures is based on the Chou-Fasman algorithm or adaptions to it. See LINK{pfold.hlp} for explanation and reference. SECTION TODO The settings window should only show the fields that are relevant for the current match method. EXAMPLES None WARNINGS !!! The match computation can only give a rough overview if a given amino acid sequence matches a certain secondary structure. Do not fully rely on it but use it as hints for aligning your amino acid sequences. !!! !!! The match method 'Secondary Structure <-> Sequence (Full Prediction)' is experimental. It is probably not very reliable and requires a lot of computation. Thus, it should not be used for a large number of species loaded in the editor. !!! BUGS The editor might be unstable and can crash if sequences are not formatted. ������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pfold_sai.hlp�����������������������������������������������������0000644�0126641�0000013�00000003013�11213220015�021023� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP arb_ntree.hlp UP pfold.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Create SAI from protein secondary structure OCCURRENCE ARB_NT/SAI/Create SAI using/Protein secondary structure DESCRIPTION Takes the currently selected species and searches for the field 'sec_struct'. A new SAI is created using the data in this field. A simple input window pops up where the default name '[species name]_pfold' for the new SAI can be changed. NOTES The import filter 'dssp_all.ift' allows for importing the amino acid sequence as well as the protein secondary structure from a dssp file and the structure is stored in the field 'sec_struct'. That way, secondary structure can be aligned along with the sequence manually and can later be extracted to create an SAI. The import filter 'dssp_2nd_struct.ift' extracts only the protein secondary structure which is stored as alignment data. SAIs can simply be created from these species with 'Species -> Convert to SAI' in the 'Species Information' window (see LINK{sp_sp_2_ext.hlp}). Refer to LINK{arb_import.hlp} and especially LINK{dssp_ift.hlp} for detailed information on importing sequences and structures and on the DSSP format. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/ph_export_markerline.hlp������������������������������������������0000644�0126641�0000013�00000000752�11213220015�023313� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Export Filter to ARB OCCURRENCE ARB_NT DESCRIPTION Missing NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������./arbsrc_9167/HELP_SOURCE/oldhelp/phyl.hlp����������������������������������������������������������0000644�0126641�0000013�00000013430�11440743001�020052� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Matrices, Masks, Profiles V1.0 OCCURRENCE ARB_NT/Tree/Dist Matrix V 1.0 DESCRIPTION This tool allows to calculate distance and similarity matrices for the marked species. Conservation profiles can be established and used as filters for column selection by other programs. 1. Selection of columns: Select part of the alignment to analyze by typing first and last column numbers after the 'start at column:' and 'stop at column:' prompts, respectively, and press 'Return' on the keyboard. Select minimum and maximum similarities for the individual columns to be included for similarity or distance matrix calculation by typing the values (50 means the most frequent base at a particular position is shared by at least 50% of all marked sequences (species)) after the 'minimum similarity:' and 'maximum similarity:' prompts, respectively, and press 'Return' on the keyboard. Define whether alignment gaps and ambiguities within individual marked sequences (species) should be taken into account: Use the right mouse button to display the submenus associated to the items below the 'markerline:' prompt by pressing the respective buttons. don't count: Calculate conservation from unambiguous bases only don't use column if maximal: Exclude column if the respective symbol is present in the majority of the marked sequences. exclude column: Exclude column if the respective symbol is present in any of the marked sequences. treat as ambiguous: Take the respective symbol as an unambiguous residue. 2. After selecting columns define how to treat ambiguities for distance calculations: Use the right mouse button to display the submenus associated to the items below the 'distance matrix:' prompt by pressing the respective buttons. don't count: The particular position is not included for binary distance calculations if the symbol is present in one or both sequences. use distance table: the symbols are treated as unambiguous residues 3. Calculate profiles and matrices: Use the right mouse button to display the 'CALCULATE' menu and select 'markerline' (profile) or 'distance matrix' by releasing the mouse button while the cursor is positioned on the respective menu button. 4. Display results: Use the right mouse button to display the 'VIEW' menu and select 'species', 'markerline' or 'distance matrix' by releasing the mouse button while the cursor is positioned on the respective menu button. The names, the aligment of the marked sequences and the conservation profile, or the distance matrix are shown within the display area, respectively. The profile: The fraction of sequences sharing most frequent residue at a particular alignment position is shown as a number to read bottom down. Alternatively, the profile can be displayed as a curve by pressing the <toggle> button in the left part of the window. It can be smoothed by selecting a number from the 'smooth' menu (left part of the window). Editing the aligned sequences and profiles, a name can be selected by moving the cursor to it and pressing the left mouse button. Pressing the <reference> button, the respective sequence is used as a filter superimposed to profile. This allows to exclude further positions from subsequent calculations which are not occupied by bases in the reference. Tha matrix: Editing the matrix, mean values can be calculated for groups of organisms displayed as triangles (radial tree) or rectangles (dendrogram) in a tree stored in the database. The grouping currently or most recently displayed is used for selecting sequences for the calculation of mean values. Select a tree by pressing the <grouping> button in the left area of the window. 5. Save results: To export distances and profiles (not graphs!!) to ascii files, use the right mouse button to display the 'SAVE' menu and select the corresponding menu item by releasing the mouse button while the cursor is positioned on it. uncoded mline: The positional conservation is encoded by a sequence of letters: A = 1%, B = 5%, ...., Z = 100%. bin mline: Included and excluded columns are indicated by 1 and 0, respectively. % dif. matrix: Dissimilarity values. % sim. matrix: Similarity values. phyl/prot distmat: Corrected distances according Jukes and Cantor (nucleic acid sequences only). pos. vari: Number of different residues at the particular alignment position. 6. Reconstruct a tree: Press the <NEIGHBOR> button. The tree is reconstructed using the neighbour joining method and is stored in the database as 'tree_neighbour'. 7. Store profile in the database: Press the <ARBSAVE> button to store any calculated profile 0 / 1 encoded in the database (SAI). The profile can be used as filter for other ARB tools. NOTES A new version of the tool is under development. It is recommended to calculate profiles here, to save them in the database, and to reconstruct distance matrix trees using 'ARB_NT/Tree/Neighbour joining' in combination with the profile as filter. EXAMPLES None WARNINGS Whenever text is typed to the window, press 'Return' on the keyboard, to ensure that the information is recognized by the program!!! BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/phylo.hlp���������������������������������������������������������0000644�0126641�0000013�00000011116�11440743001�020230� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_PHYLO - Create filters by base frequency OCCURRENCE ARB_NT/SAI/Create Filter/by Base Frequency DESCRIPTION Calculate base frequencies and/or a base frequency filter. Open Config/Filter to define how the filter will be created: Define the alignment range, for which the filter shall be generated using the input fields 'Start at column' and 'Stop at column'. Columns outside that range will get filtered, i.e. the generated filter will contain '0'. Define the similarity range, which will lead to a '1' in the resulting base frequency filter, by specifying the lower and upper percentage in the input field 'Minimal similarity' and 'Maximal similarity'. Similarity values outside that range will lead to '0' in the generated base frequency filter and will as well not be exported as base frequencies. (Note: It's not necessary to re-calculate, when you change this value) For non-regular sequence characters (gaps, ambiguity codes and lowercase characters) you may define how the frequency calculation acts, by setting their toggles to one of the following values: don't count (ignore) The corresponding characters are ignored (as if they were not present). if occurs most often => forget whole column If the corresponding character(s) occur(s) more often than any other regular sequence character, then skip column, i.e. write '0' to filter. if occurs => forget whole column If (one of) the corresponding character(s) occurs, then skip the column, i.e. write '0' to filter. count, but do NOT use as maximum The corresponding characters are counted like regular sequence characters, but never interpreted as "being the most homologous character". Compared with 'don't count' it will result in lower base frequencies, cause the overall number of characters occurring per column will be higher. treat as regular character This is only applicable to 'ambiguity codes'. Treats ambiguity codes like regular sequence characters. (Note: 'treat as uppercase char' setting for lowercase characters affects ambiguity codes as well, if treated as regular characters) treat as uppercase char This is only applicable to 'lowercase chars'. Simply treat regular lowercase sequence characters like uppercase characters. Press 'Calculate/Column Filter' to calculate the base frequencies. When calculated, three lines will appear below your sequences in the main window. Reading the columns of these 3 lines from top to bottom, they mark completely filtered columns by 'XXX' and else show the frequency of the most frequent base in percent. The color of each column indicates whether the frequency will be exported and respectively whether the column will be '0' or '1' in the base frequency filter. If pleased with the results, either export detailed base frequencies via 'File/Export frequencies' or export a base frequency filter via 'File/Export filter'. NOTES None EXAMPLES To create a filter which hits all columns containing sequence data, use the following settings: - all alignment columns - similarity 0 to 100 - both gaps: 'don't count (ignore)' - ambiguity codes: 'treat as regular character' - lowercase chars: 'treat as uppercase char' WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pos_variability.ps.gz���������������������������������������������0000644�0126641�0000013�00000011631�11213220015�022546� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������‹�?æ:�íÚí“ÛÆ}�à~¾¿bãF­4Õ‰w’íØ×3–-'îXÍä8ÖÔ Ž„îX“Ë—Ó)ýïýíäÏNì¶Ÿž'‹X,û†ÝÅâîüæìùñç£æ¼>~øàäèÎoÇ«IýI:[Ÿ[Ÿšõj¾^¥Ó?þàÁÉûN?úäôôÑûí‹E]­šE‰8_ÞO­ÏçÍâÛúzu?}=>ˆx›õl4ž]<n®?Iw«U=Ý‹à³ê¢^ö¾l†ëi=[}ÕÌV;'žÌF_4Ó|jyttç7éèNJ_^çËóE“ŽÓx6œ¬Gõ(Å᤹H/›E>ÿMµ¬Çõ¬^DR£tÖ,Wχ‹ñ|•^Ž'õ2òV’ú¢™¿^Œ/.Wéîð^”ó£?>½ÿnAR:«Óñr9nfiÕ¤a\—ÆËt±¨f9ýe“&Íì"UË´º¬û·6£:_‘gÍ*-êe3¥Èåz×g©Š(QÀÅp\Mr)Fëá*ùíêjTG-VqŸa}:xöäìÏ¿þöÏ^ >öx0Ÿ.ëÉ|0o–¹ªãê|<¯^?ˆ6¹J§ÊÿÒÓ““Áééàá£tòñ'ïŸ~rúqzU/#Íizr=O¿»-_/Wõt4®Ò`Y¯æÕðÇh¶ôã¬y5KéNÎmª‹êuÚœšFÁÒøe¯–©ºªÆ“ê|R¥ôf°¬®ê.V‰4\/Ñ€› GõËñÒj±®ÓͽÞFØøåQ:üvÓ€éý““Tò×å{\_D•ºÞr4(Ç›èщқHåjº\U«õ2Í›yùÿIªÿ»Ü2½I7‰Ÿ—´ŽÚ®ûõl¼Šÿµ~×Öém}°‰þoÍyÊk³Rì%u8¥.t›NéáÛ”ºûŒ_Ö“e}ô6g£maŸäßÛ¢ÆÑßUÐx€¶¥Ø½yôÁxv79‹xݯ~Q»8?‘¿ýÒ ¢Í£W¥ßOñO×Ômðx¶ŠÌm§Uœ¿NÝ?]yË£]Ÿ¯/.ò¥‹{Ƴzáƒú4w¥—Uä£\p48‹[¬¾Ž„sUlî=¼ŠÚÈ'ú™íâ~3+Qïþ0»×ÆI/'ëåån±Ú¨ß=Í·,ñÛäbhÓÈ)|÷4u5œîm#lš#~>*#Äæ¢œÉ»?Ü]5«jòýû½Kú§ó€°{6š4þ[_/Ór}žöâ/êi5žE]ݞ䤾ªãŽ÷Þ)Ãn‘£´i·Ü“¦uj9]Z Ôƶ-Ú®Õ¿ªëm‘ëÛ{ÍÝÒYr®Só²Œ|1 ¶c÷½´½Q õéiõcŒ/«TWË×yÈÝ$2ÎÏW3‹!|pžsøf{&õî4¸nÏ•ÊëΕ®°Cæ1ÅøqV 5xZ]ÌÆ/ÇÃ*'®Ûg|ûÌæéªÿðï"§ÔÏ{w§ÍÜÞèI{£7Ïaÿ‚ë(q¾"ÝÍ=ºYĘ>y}/—¿bv‹çw0¼¬ÕpU/r|ß&|'=Ïùë†Úè9¹{g1NÛ2Å I«Y<®ùÎõ*MbxZ<ÈÝjð}L éÕeO|n¿”ߦ7'o7q^ìÅyq Îf¨/·^]ÇcÒÌç1ѽ9‰çÚ\ÕyòìEʧwêºw—C5ö¶L]rÛ¬mZíûíA¯bŸÕËG»ÆxÖµúáöí]u¶^Ä™j2ik>7âNªñ4Mëi³x–1{Õò°ñUIó÷“漚tÏÇ7ͰûÝKóù«ñ*údîÑqïrÛÁf´-Ïëý–ûÖ²ÌD½FÌ÷¹¹A[†?EþKÓ÷êlV*7ºÆxvÕÄÃôÞ&ü½ÞŸ³ÏšE¬Æ«’l>®æõâÏãÑêr{ô‡º,“òáõäY^ŬK¿Š€Ý£G)Ž_L«ë©ŠÆâyTHýUtÞfñë;íÿkg»m }VãF‹v®ïwœÝE”®mÅjU†¥ÉK+Ç£Û¿´4æéÉfÚ¸­GÇÁ;¹=“kz{pxDë5Õ&h·9·¡½6ß k{Å6¨ßqºÀ/›n ”óýx¿åeð›^Z'éy½ZÏ¿©f£å0‚» /….ÕÐ=ç7#øÍ««ÝvéëúüXE¤j=YEàdWúƒýµÝ›½šxôáÉɃ“t°>õO½[õ»‘{?Gã«t¨ŽÊ¢·=qz)÷.™®'ëý£޶Û¥õû—ì§'ý•:î¿Ø;îjîéÎr­{¢z‹·›–é·—‹fzûðÖÞ:ÂmGͶ¡< ï< ݰÿ¬«Ö½‘ÿÙ͸µ?øw§Þÿoy;ù›æÈÏÏÏõÕ¸Ôî2š/–’ËËæÕv !ߥòNØ zöüÛtÓ-6Áqõ‹jô_ëeTKiÂÍÒ·w»»×÷c=•QV©:/ VßOå²<C”êú§Ra÷ãýiöÏ«Ro1<ÿþEéS››ìt¯[·Ü/^ï¤õ°Ý8œdÚƺ´O§]’Þ™ßJUä&þE7:¹¥/Þ½Q¾G¹Ù¯,Yÿ†‹:¦íñUÜðúu¹ã¬Ž7¼moÞ¹ÿßÒ"'‡Ó.Içáë'}rK¶_o“.Uówg?¥›»”ÅAŽZ¥Åz‹Çôïyø›Lâ5çr¼Ì;EÑkã±ÇPåýªI¬iªE]µ¯?qpþ:-b@‰Û罩?åñsµžÅX:y»|ZÇ«6µWÕëVe_)æÇ*¦ùøºž¤z±ˆ³,²¦y‡ª·gUÞãÅ~<Oê¼ûÐ>ÜòæFj£8óìE{e ¼‘ñaU0\E2mâË<7Wùí§«ËÈÒýˆµt$<++¢y¼öUQ™¹È›EÙÖ³H?69דü†uÞ4“:.~/UÃñ²~Õvv“ð{‘±?çÊ*Þ¤{?Òx‹Ë¼SwK›÷©×e-ŸwÞ^]ŽóB<–e¹r>òïf–˳yÅÊõû|<ÖåÜMî§uD™—ÓXÆ‹ûr»Q³lÛmÒįÈzN9¯JrÍ”FŸ®ãžÓ<ì-'Í«Ü^¹š–Û[lš'†¿ñt=…ÄË—1¼çÓãe¤%ˆVÎSÇxXîçvbôŒný•òd–Ç÷%‚ch\å9èέÕX'yëqp8ÂÎî˳vvîMНF›Ÿ·\~™w’?8‰e@Џ›Ÿ¹ø»3oÞõëNTÝæÔ›<”_ƒÕËQú°·+˜w#¨¿7ÈÓØ·¯çuzÔÛ®+¡ÝRæ?NS~G(ÿýÏý87#Ÿl^®vÎ?™ ›¼¡~ða·!:ZÏÓÇ¿Kƒ*å½ò^ÜÇëñdôEô¤RU­<º–Yùb–ûÀ¶ŸµûÄ·Ä*6—ø~ô¤f+rw’¶ÙÌ <Œ~_b6ÖýXq27í6¨+ýqþ'—ïͧ_ýŒÏb51À´Zþ¸Mæm¯°y·ñNnˆM#•FiÇ«’ýÈ]þ·œ¾[ÝKyPú»‘ÝÒŶµOòuQËå¨?Ж€Yýj^­.»<läråƒ\¶Í0ytScyzØ ìb–1}?vÜ¿b8i–u¾mšKÐÅ~!¶;"›;þ‚ ©ÝýôìûoŽó7‹öÓAyBîÆ1ˆãòÞgéÓÃÁÏž<ÏrüóÎëÎO/wÑ;Î; Ý~¾Œ—øölZ¶§Ë³MÉçî G´}û–g~÷p÷m©Ü<ž¼œdµ~´3Á¦OçyY}|YÖí¹brUµa¯òZ» :{šÊx÷4½ÉëœïϬîÓmo·½qÝöÂwàuàÙY—ï”þΜÓæ<þyó+2ÞF>”ï›±þð{Ìío-ûÅÊ «gñþ0ÝyÛÌHƒ§Ÿÿ¾WŠƒïkÛ7Õt³6Ùܸ|’Ê•²›ŸöûÀ¢š-'í÷˜ËÙìíØ”ºÏ)|–žŸ=NÇÝ÷¡÷~XÎëümî½MòïÛn¶÷­/1'¯cÄ.sqä­Ü6æïö8G/+«Y5ÉÉÔ³«ñ¢™åeC{Eþz™#}ùÝ×ÛçJÈ“Cª§ãÕªâãüÙóvU+›x‹žªÅÎWÎ^ÒÝÇij˜i¦uÞ5þ$ýíæd>Ñw'ÚÆý3ãÌ׳< –Ž*ãÊr>üË´÷Ê»=.Ÿ¢¶GóQÙó‹áýû³nœßž>ͧßÜlmæw׷퇬íHÚ{öËX°?�e£·¼Tnv6C΃G{{“Û½½„â•¶}ñÉ­QÍ^ïöÚ6¡v´.ÿ940å=š.õÝ[nNö÷[^üªTnéÀO¢¹òœüëºï¢®Ë‹ÀÿrÇ-CN'_ò3½7çêj<êîQ²¸\æéb¿ð/×óùd\JßýèþÓíŸîö·6ÓnÇúÓì¸úÙ¾õs3Ý-}Ó>»=þoyŸÝò<n7âÞ}÷zÝl==6óq½Œ)õ¬Ì¨Ý'–lƒ·ÃC¬úÊ7˜Þ©Óýx׊dzh¹˜ûòRé8¿QvSß—O¿* ˆ§í'—Á|ù×íÔ—l~矱ü•ågŽS*pg1ºwÓê|8Jw¯¯¯ïåØQ¢Y´KJÿú¯ŸµçâL¾ñ͹w¿v÷϶¹‹‹å.ÿΗç Ýó'ìMœúU>ßEÔ³‹<µG‚ÝÏüM°wó² Μl.™çèÑ/®ªÉÍÙw“;mx5Û_U•ZˆYýaÉr¾ó¼­º©š6¸”=úÅÏ•½ÿáþ¦Ô‘·½læ¤òGðmÛ–"°‹}Q÷‹yßï£Ídtœß¡>+{Yåý1g=./Áe'dU ÌÅØÆÈ¥ÈÏ^—‰ÓRãí_ÉÄ…åÇõæ%èÍi<ƒ£ú:^"¿þ2ÒíÞ"Þl">ŠËÍd’kûíæd÷—Ýñv²Ë/W1Dä/mƒäöKTž‘U¼æÆ#Q^´¾xºy=mÿjb7¬m’rT——ã6ç9°©÷^Û¶Æ·ãi½<~ÖL«ÙÍãtóœwª²ƒ›‹ÒK¨j‡§ò7 Gy/b{ßÓvxù²9þâéñbz\w—tÛÝý˜{1Ç«ŸŠù¨sµs·Þâ}¤›côÏ#Òr;åIÍzå8.å̵›÷½¾Ø~rhUÞç*¯|ÀË›Vó÷ò]L˜› ¯ö»ÊæRYúÞ=}øÑýøÿ¿<zx¯{ÿ9ÞL}9Ï› ·sÒkɶž¤ÁƒY³Ê_tŸ.ðôPàÃC¾(ðƒC üÝ^`üÑ¡¸ÌþáB,Uô„ÁËq? ŠôrÒ8XœÓýòl£H£f5É‹‰~ôýBµ¡Q¦‹Eþ‚Ñ ‹"UÃõªö0 4¬ù/Zn¢8ùÉN¼(Ì´îEŒ•‘¼ŸÍ‡Q¨X“'“ª5 uQ/â‰O–ýQªjçNQžf' ŠÒÄêlyÙŒ²|þ¤ß]¢ Ü 8Mÿ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������?é�¥yF…ç��������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pos_var_pars.hlp��������������������������������������������������0000644�0126641�0000013�00000002253�11440743001�021575� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Column statistic OCCURRENCE ARB_NT/SAI/Create SAI from Sequences/Positional Variability ... DESCRIPTION Calculates the base and frequencies positional variability for each column independently. It uses the parsimony method to find the minimum number of mutations for each site. The result can be used by: - Parsimony to weight the characters properly - Neighbour joining to estimate the distances more accurately. - Filter @@@@ Result: '.' Less than 10% valid characters '0123456789ABCDE...' The higher the number the more conserved +2 half mutations eg .'7' half number of mutations than '5' NOTES Use the biggest tree you have. NOTE @@@ Compare it to consensus and max frequency. WARNINGS if you have only small trees (<100 species), forget this function. BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/primer.hlp��������������������������������������������������������0000644�0126641�0000013�00000001633�11460347216�020410� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Primer Design DESCRIPTION @@@ need translation into english nur markierte Sequencen Daten muessen aligned sein, sucht alignmentabschnitte mit moeglichst wenig verschiedenen Kombinationen fals ihre Anzahl < Wert -> moeglicher Prime Die Ausgabe erfordert viel viel Handarbeit normalerweise mehrere hundert Seiten ctrl-C bricht das Programm ab SECTION PraxisErfahrung Schlechte Sequencen bringen den Alg. durcheinander -> entmarkieren NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/primer_new.hlp����������������������������������������������������0000644�0126641�0000013�00000002266�11440743001�021252� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB primer_parameters.hlp SUB iupac-codes.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Primer Design OCCURRENCE ARB_NT/ETC/Primer Design DESCRIPTION Searches for primer pairs within the given physical and biological ranges 1. select a species (ARB_NT <INFO button>) 2. choose ARB_NT/Etc/Primer Design... 3. specify searchparameters 4. mark a result, it will be displayed in ARB_EDIT INIT FROM SPECIES/GENE This initializes the values left and right position and the primer distance with (hopefully) reasonable defaults. NOTES written by Wolfram Foerster 2001 EXAMPLES None WARNINGS ARB will crash if you use Primer Design without taking care about the estimated memory needed (lower right corner). BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/primer_parameters.hlp���������������������������������������������0000644�0126641�0000013�00000004064�11213220015�022613� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP primer_new.hlp #Please insert subtopic references (line starts with keyword SUB) SUB iupac-codes.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Primer Design/Search Parameters OCCURRENCE ARB_NT/ETC/Primer Design DESCRIPTION left/right position: specifies the start of primer ranges (leftmost base position) [right.min > left.min] left/right number of bases specifies how many bases a primer range includes primer length: number of bases within a primer [length > 0] primer distance: min/max number of bases between leftmost base in left primer and rightmost base in right primer G+C ratio: range of GC-ratio of primers in percent (countG+countC / countBases * 100) temperature: range of temperature of primers (4*(countG+countC) + 2*(countA+countT)) minimal distance to next match of primer: if a primer is found again outside this range it is ignored example: primerpos 100 min.dist 50 2nd occurrence 30 => primer remains in list 3rd occurrence 140 => primer is removed from list expand IUPAC-codes: switches expansion of IUPAC-codes on/off example: TTRC is expanded to TTAC and TTGC maximal number of results: how many possible pairs you want ? G+C-factor / temperature-factor: weight of GC / temperature while evaluation of possible primerpairs NOTES written by Wolfram Foerster 2001 EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/probeadmin.hlp����������������������������������������������������0000644�0126641�0000013�00000004022�11440743001�021213� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE PT_SERVER Administration OCCURRENCE ARB_NT/ETC/PT Admin DESCRIPTION Allows you to start/kill and build/update 'PT_SERVER' databases. Select a 'PT_SERVER' and database from the menu displayed after pressing the button below the 'PT_SERVER' prompt. Start or kill the selected 'PT_SERVER' by pressing the corresponding buttons. Press the 'BUILD SERVER' button to export the current database to the selected 'PT_SERVER' database. In Genome Databases you may check the 'Gene server' toggle to build a PT-Server which is based on the sequences of the single genes (and intergene regions) of all organisms. Such a PT-Server allows to perform similarity searches and probe design/match for single genes (in opposite to whole genomes with a "normal" PT-Server). When designing probes with such a gene PT-Server you always have to validate these probes against a PT-Server build upon complete genome sequences, otherwise you will get incorrect results for all probes matching at beginning/end of a gene. NOTES Read PT_SERVER: What Why and How if you do not understand this helptext. The probe designing and matching tools ('ARB_PROBE') and the aligner of the editor ('ARB_EDIT') rely on 'PT_SERVER' databases and servers. Update (re-build) the 'PT_SERVER' database when new sequence (species) entries or sequence modifications (base changes) have been introduced into the current database. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/probedesign.hlp���������������������������������������������������0000644�0126641�0000013�00000006047�11440743001�021405� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp #Please insert subtopic references (line starts with keyword SUB) SUB probe_param.hlp SUB probedesignresult.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk ******** TITLE Probe Design OCCURRENCE ARB_NT/ETC/Probe Design DESCRIPTION Searches for potential probe target sites within the sequence entries of the corresponding 'PT_SERVER' (not the current) database. Mark (single or group of) species (ARB_NT <MARK button>; ARB_NT/Species/...) for which probe target sites should be found. Choose the 'Probe design' item from the 'ARB_NT/ETC' menu to display the 'PROBE DESIGN' window. SECTION PARAMETERS (press Probe-Parameter help to get detailed information ) Select a PT_SERVER: Probe design is not run on your database but on the pt_server's (see 'PT_SERVER What Why and How'). To work on a consistent database you should 1. re-build the pt_server or 2. run arb on the same database as used by the pt_server ($ARBHOME/lib/pts/*.arb) Length of output: Clip too long output lists Max. non group hits: Maximum number of species, that are not marked but matches a probe Max. hairpin bonds: Currently not implemented. Min. group hits: Minimum percentage of marked species to match a probe. ECOLI-position: Restricts the target position. This requires: 1. Your (pt_server) data is aligned. 2. There is a SAI named 'ECOLI' which includes the reference sequence. NOTES The 'PT_SERVER' database ('*.arb' and '*.arb.pt') stored in '$ARBHOME/lib/pts' is used for probe target searching not the current database. The 'PT_SERVER' database has to be updated ('ARB_NT/ETC/Probe Admin') if species entries should be considered for probe target searching which have been added or modified (sequence symbols) later than the date of the most recent 'PT_SERVER' database update. Probe target searching does not depend on correctly aligned sequences and is not affected by any modifications of database entries except changes of sequence residues. EXAMPLES None WARNINGS Take care that only and all species are marked for which a group specific probe has to be designed! If the displayed tree is used for species marking, consider that species belonging to the specificity group but not contained in this tree will remain unmarked and treated as non-targets. Consequently, useful target sites may be not detected. Similarly marked species not related to the target species and not contained in the displayed tree will be treated as targets. BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/probedesignresult.hlp���������������������������������������������0000644�0126641�0000013�00000004351�11440743001�022640� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB sel_box.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk******** TITLE Potential Probe Targets OCCURRENCE ARB_NT/ETC/Probe Design/PROBE DESIGN/PD RESULT DESCRIPTION The 'PD RESULT' window is displayed automatically after finishing the probe target searching or manually by pressing the 'RESULT' button of the 'PROBE DESIGN' window. The parameters defined by in the 'PROBE DESIGN' window are listed in the first line of the display area of the 'PD RESULT' window. The target and probe sequences are given in the first and last columns of the display area, respectively. The length of the proposed probe is given in column 2. Columns 3 and 4 indicate the 5'-positions of the target sites within the alignment and the E.coli sequence, respectively The number of species targeted (perfectly paired) by the probe is given in column 5. The G+C contents and predicted dissociation temperatures (4xGC + 2xAT) are listed in columns 6 and 7, respectively. The numbers of the next columns (from left to right) indicated how many non-target species would be detected by the particular probe if the temperature would be gradually lowered. !!! The columns do only represent virtual temperature shifts and cannot be assigned to degree centigrade!!! To write the results to an ascii file press the 'SAVE' button to display the 'SELECTION BOX' window. The 'Auto match' toggle has the same meaning as in LINK{probematch.hlp}. SECTION SORTING The program brings the best probes to the front of the list. Best means the product group_hits * (min. mismatches to non group sp.) It does not take G+C, temperature or ECOLI position into account. It is up to the user to study the list carefully and choose his candidates. ( In our lab we often found the 20th probe the best ). NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/probematch.hlp����������������������������������������������������0000644�0126641�0000013�00000007527�11440743001�021234� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB pd_spec_param.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Probe Match OCCURRENCE ARB_NT/ETC/Probe Match DESCRIPTION Finds and displays all occurrences of a given target and/or probe sequence within any specified 'PT_SERVER' database. The species, targets and additional information are ranked and displayed according to the degree of similarity. Select a 'PT_SERVER' from the menu displayed after pressing the 'PT_SERVER' button of the 'PROBE MATCH' window. Define whether similar (not perfectly matched) sites should be displayed by pressing the 'Search depth' button and selecting the number of mismatches (1 - 20) from the menu. Enable the 'Use weighted mismatches' toggle to use the weights defined via 'EXPERT' button (see LINK{pd_spec_param.hlp}). Define whether the species which contain the target or probe (or similar) sequence should be marked (see LINK{mark.hlp}) by enabling the 'Mark in database' toggle. Define if probe AND target sequence should be searched by enabling the 'Check rev.compl. too' toggle. Press the 'EXPERT' button to display the 'PD SPECIAL' window if base pairings should be individually weighed (see LINK{pd_spec_param.hlp}). Press the 'MATCH' button to perform the search. Enabling the 'Auto (match)' toggle will automatically start a probe match whenever the target string is changed. Try it when you design probes. The results will be displayed within the display area, ranked according to the degree of similarity between probe string and database entries. Brief description of the listed columns: - name: short name of the matched species - fullname: full name of the matched species - mis: number of mismatches - N_mis: number of pairings with ambiguous residues (N) - wmis: mismatch weights - pos: alignment position of match - rev: 0=normal match; 1=reverse complement match Results from gene PT_servers consist of different columns: - organism: short name of the matched organism - genename: short name of the gene - mis, N_mis, wmis, rev (same meaning as with normal PT_server) - pos: position of match in genome sequence - gpos: position of match in gene sequence Sequence sections containing stretches identical or similar to the probe string or its reversed complement are shown between dashes in the last column: Perfectly matched positions are indicated by double dashes, mismatches by base symbols. The (hybrid destabilizing) quality of mismatches is indicated by upper and lower case letters. # To write the results to an ascii file press the 'SAVE' # button to display the 'SELECTION BOX' window. NOTES Unlike the 'ARB_PROBE_DESIGN' tool, the 'ARB_PROBE_MATCH' tool does not depend on the consistency of the current and the 'PT_SERVER' database. Any 'PT_SERVER' database containing homologous or non-homologous, aligned or crude data can be searched for potential probe target matches. Please note that all positions returned from PT-Server are in the range [0..N-1]. They differ by 1 from positions in ARB_EDIT4. EXAMPLES None WARNINGS None BUGS The number of results is currently limited to 10000 hits. �������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/probe_param.hlp���������������������������������������������������0000644�0126641�0000013�00000007074�11213220015�021365� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP pt_server.hlp UP probedesign.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB pd_spec_param.hlp SUB probedesignresult.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Probe Parameters OCCURRENCE ARB_NT/ETC/Probe Design/PROBE DESIGN DESCRIPTION Allows to select the 'PT_SERVER' and its database, to customize the presentation of the results, define the stringency of target search and physical characteristics of the probes. Select a 'PT_SERVER': Select the appropriate 'PT_SERVER' from the menu displayed after pressing the button below the 'PT_SERVER' prompt. The 'PT_SERVER' database (*.arb) has to be consistent with the current. (see 'Main Topics': 'Probe Design'; 'PT_SERVER What Why and How') Customize output of results: Type the number of probe target proposals to be displayed in the 'PD RESULT' window by typing it to the 'Length of output' subwindow. Define number of accepted non-targets: Type the number of non-target species which you would accept to be detected by the probe to the 'Max. non group hits' subwindow. This helps not to miss potential target sites in case that species belonging to the particular specificity group had been overlooked while marking (see: 'Main Topics': 'Probe Design'). Define number of accepted inter- and intraprobe base pairings: Type the number of potential base pairings within or between probe molecules. !!! Not yet implemented !!! Define minimum number of target species: Type the fraction (%) of marked species which have to share the target site to the 'Min. group hits (%) subwindow. This helps to design multiple probes in case that common target sites are not present in all species of the particular specificity group. Define length of the probe: Type minimum and maximum number of nucleotides to the corresponding 'Length of probe' subwindows to define probe length. Define dissociation temperature: A range of allowed dissociation temperatures (= 4xGC + 2xAU; centigrade) can be defined by typing minimum and maximum values to the corresponding subwindows. Define the G+C content: A range of allowed G+C fractions (%) can be defined by typing minimum and maximum values to the corresponding subwindows. Define target region: A preferred sequence (alignment) region can be defined for the probe target sites by typing the nucleotide numbers of the homologous positions within the E. coli molecule. This requires: 1. Your (pt_server) data is aligned. 2. There is a SAI named 'ECOLI' which includes the reference sequence. Press the 'EXPERT' button to display the 'PD SPECIAL' window if base pairings should be individually weighted (see LINK{pd_spec_param.hlp}). Press the 'GO' button to start the calculations. NOTES Increasing of the 'Max. non group hits' and reducing 'Min. group hits (%)' values as well as increasing of the difference of the minimum and maximum values for 'Length of probe', 'Temperature' as well as 'G+C content' reduces the performance (speed) of the program. The results will be shown within the 'PD RESULT' window which can be displayed by pressing the 'RESULT' button. The window is automatically displayed when the probe search is completed. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/prompt/format_alignments.hlp��������������������������������������0000644�0126641�0000013�00000001733�11440743000�024132� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE FORMAT ALIGNMENTS OCCURRENCE ARB_NT DESCRIPTION Many functions of ARB expect all sequences of an alignment to be of the same length (Note: "length" doesn't mean "number of bases" here). Bringing all sequences to the same length (by adding gaps at the end of the sequence) is called "formatting". This prompt pops up whenever any alignment is unformatted and so provides an easy way to format your sequences. NOTES This function is also available in LINK{ad_align.hlp}. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/props_frame.hlp���������������������������������������������������0000644�0126641�0000013�00000002274�11213220015�021410� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB mode_group.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Frame Properties OCCURRENCE ARB_all/Properties/Frame Settings DESCRIPTION Setup of the window. Choose the 'Frame Settings' item from the 'Properties' menu and select colours and fonts by using the respective submenus or typing in the respective subwindows of the 'WINDOW_PROPERTIES' window. NOTES The selected properties are saved to files '.arb/prop*' in the users home directory by choosing the 'Save properties' item from the 'Properties' menu. Some changes are only shown when the program is restarted. EXAMPLES None WARNINGS If you choose a font different from 8x13bold all windows are resized proportionally. This may lead to undesired overlapping effect (especially if a smaller font is used) On the other hand this can help people who use a small screen resolution. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/props_nds.hlp�����������������������������������������������������0000644�0126641�0000013�00000006405�11213220015�021102� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB parser.hlp #SUB commands.hlp #SUB acisrt.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Node Display Setup (NDS) OCCURRENCE ARB_NT/Tree/NDS ARB_GENE_MAP/Properties/NDS NOTES Read this text carefully. You won't need this function, but it offers many many new possibilities. DESCRIPTION Extracts data from the database entries of every species and builds a user-readable string from that data. This string can be used in many different functions, especially to show the species information at the tips of the tree or to show gene information at the tips of the genes in the gene map. It allows you to show part of the sequences, the full_name, the accession numbers right in the tree. You may even generate tables with all kinds of useful information, like probe match results for a set of oligo probes. Choose the 'NDS' item from the 'ARB_NT/Tree' menu to display the 'NDS' window. Enable field extraction: Press the 'LEAF' and/or 'GRP.' checkbox to activate the display of the corresponding 'field' entry at leafs and/or groups of the tree shown in the tree display area of the 'ARB_NT' window. Select 'FIELD': The order of the data shown at the tree nodes (from left to right) corresponds to that in the 'NDS' window (top to bottom). To select a 'field' enter the field name by hand or press the respective <S> button and select it from the popup-list. Press <RESCAN> there to display all fields, if fields have been deleted from the list by 'Species Information/Delete hide fields'. Define number of characters: Type the number of characters (including blanks) to be displayed to the 'WIDTH' subwindow. Display SRT/ACI: The 'Search and replace Tool (SRT)' and the 'ARB Command Interpreter (ACI)' in combination with 'Nodes Display Setup (NDS)' allows information to be extracted and/or modified from the 'Field' entries, before being displayed at the tree nodes. Press the corresponding <SRT> button to display the 'SRT_ACI_SELECT' window and select a predefined procedure (see LINK{acisrt.hlp}). The corresponding syntax (see LINK{parser.hlp} and LINK{commands.hlp}) is displayed in the 'ACI SRT PROGRAM' subwindow. The displayed strings can be modified by typing to the subwindows. Generate new program: Type syntax (see LINK{parser.hlp} and LINK{commands.hlp}) to the 'ACI SRT PROGRAM' subwindow NOTES Strings generated using 'SRT' or 'ACI' and displayed at the nodes are not stored in the database. You can use the 'Modify fields of listed species'-menuentry in the 'Search & Query' window to do this. The width of the output is limited to 4000 characters. EXAMPLES None WARNINGS None BUGS None �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/props_www.hlp�����������������������������������������������������0000644�0126641�0000013�00000002777�11440743001�021161� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB parser.hlp SUB commands.hlp #SUB acisrt.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB WWW Queries OCCURRENCE ARB_NT/Properties/WWW DESCRIPTION The WWW-Interface can be used to search the Web for information taken from the ARB-Database. Select a species and press the WWW button in the ARB_NTREE top area or choose the WWW mode and click on a species. EXAMPLES Here are some search examples (URL-Entries): Search in ARB-SILVA: "http://www.arb-silva.de/browser/ssu/";readdb(acc) Search in EMBL: "http://www.ebi.ac.uk/ena/data/view/";readdb(acc) Search the Web for full-name using google: "http://www.google.com/search?q=";readdb(full_name);|srt(": =+")" NOTES Look at the bottom line of the WWW configuration window and check out whether the command line there calls your preferred internet browser. Generic methods: xdg-open "$(URL)" open "$(URL)" (OSX) WARNINGS We are not responsible for any content you retrieve by using this function. Use this at your own responsibility. BUGS No bugs known �./arbsrc_9167/HELP_SOURCE/oldhelp/Protection.hlp����������������������������������������������������0000644�0126641�0000013�00000001661�11440743001�021227� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Set protection level OCCURRENCE ARB_NT/Protection DESCRIPTION An individual protection level (0 - 6) can be assigned to all types of database entries (sequences and additional information stored in the particular 'field'). To modify any entries, a protection level has to be selected from the 'Protection' menu of the main window equal or higher than that assigned to the data. NOTES None EXAMPLES None WARNINGS It is recommended to reset the protection level after deleting entries to prevent unintentional modification or loss of data. BUGS No bugs known �������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/proteinViewer.hlp�������������������������������������������������0000644�0126641�0000013�00000005371�11440743001�021745� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Protein Viewer OCCURRENCE ARB_EDIT->View->ProteinViewer DESCRIPTION Use this function to display AminoAcid sequence along with the DNA sequence. There are six possible reading frames in every sequence, three starting at positions 1, 2 and 3 and going in 5'---->3' direction of a given sequence, and another three starting at positions 1, 2, and 3 and going in 5'--->3' direction of a given sequence of the complementary sequence. CODON TABLE: Select the desired codon table from the list of standard codon tables normally used in translating protein genes. START POSITION: Select the start position where the translation should begin at (base position). eg., 1, 2 or 3. STRAND TYPE: Check the "Forward Strand" to use the given sequence (as displayed) for translation. And checking "Complementary Strand" uses complementary sequence of the displayed sequence for translation. By checking "Translate from database fields" , ProteinViewer extracts "translation/codon table" and "start position" from the database and uses the same for translation. By default, the translated (aminoacid) sequence will be displayed as single letter codes. eg., A for Arginine, etc., But you can disply three letter aminoacid code (eg., Met for methionine) in the translated sequence by checking "Display Aminoacid names" checkbox. Display options "text" and "box" will display aminoacid codes or colored boxes in the translated sequence, respectively. Display at "Marked", "Selected", "Cursor" and "All" will toggle the display of aminoacid sequence only for marked, selected, cursor position and all species in the editor, respectively. SAVE AMINOACID SEQUENCE ALIGNMENT: Once the alignment is refined according to the aminoacid sequence, you can save the translated (aminoacid) sequence to the database as a new alignment. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/pt_server.hlp�����������������������������������������������������0000644�0126641�0000013�00000011273�11440743001�021112� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB probeadmin.hlp SUB probematch.hlp SUB probedesign.hlp SUB multiprobe.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk ******** TITLE PT_SERVER: What Why and How OCCURRENCE <ARB_NT/ETC/probe*> <ARB_EDIT/EDIT/align_sequence ..> DESCRIPTION Probe design, probe matching, and searching the nearest relatives require a lot of database searching. Simply scanning the whole database for a specific target takes several tens of seconds. Probe design and searching for nearest relatives start thousands of search operations. Waiting several weeks to get a result from the computer makes every user hate the program, so better algorithms have to be developed. The basic ARB SEARCH ALGORITHM: - When any (calling) program wants to scan a database, it does not do the job itself but calls a special SEARCH_PATTERNS_IN_A_BIG_DATABASE_PROGRAM. We named this program PT_SERVER ('Prefix tree server' or synonymously 'Positional tree server'). The PT_SERVER searches for patterns in special database files and sends all matches back to the calling program. - Different databases have different PT_SERVERs. You must choose a PT_SERVER to match the database you wish to search. The file $ARBHOME/lib/arb_tcp.dat defines all possible choices. - If there is no PT_SERVER running, one is automatically started. A PT_SERVER does not scan the database of the calling program, but the database in $ARBHOME/lib/pts/*.arb. That means: If you have just entered a new sequence this sequence will not be found by the the nearest-relative search. This is normally very useful, as you only want to use old sequences as a reference in the aligning process. For generating probes it isn't useful, because new sequences have to be added to the PT_SERVER before designing or matching probes. Remember: By adding 1 new sequence to the database, any previously validated probe may become invalid. Re-build your PT-server frequently and re-evaluate any probes you've made before. Creating a new PT_SERVER template: - Edit the file $ARBHOME/lib/arb_tcp.dat. <ARB_NTREE/Probes/PT_SERVER Admin/CREATE TEMPLATE> Note: Make a copy of your changes because a new ARB installation may reinstall $ARBHOME/lib/arb_tcp.dat. - Restart arb Create a database for an existing template: - Start ARB with the database you want to send to the PT_SERVER. - Open the PT_SERVER ADMIN Window <ARB_NTREE/Probes/PT_SERVER Admin>. - Select a template - Press <BUILD SERVER>: ARB will save the DB into $ARBHOME/lib/pts/name.arb - Wait (SUN Sparc 10: 10 minutes/megabyte_sequence_data) ARB generates an index file $ARBHOME/lib/pts/name.arb.pt If any '*.arb' file in $ARBHOME/lib/pts is newer than the corresponding '*.arb.pt' ( == prefix tree) file the '*.arb.pt' file will be updated as soon as the PT_SERVER is started. Updating a server: see 'Create a database for an existing template'. NOTES Once started a PT_SERVER never stops. The only ways to stop a PT_SERVER are: - SOFT KILL (everybody) (only idle PT_SERVERS): - <ARB_NTREE/Probes/PT_SERVER Admin/KILL SERVER> - HARD KILL (supervisor) (all servers): - become superuser - enter 'ps -auxww |grep pt_server' at any shell - enter 'kill -9 PID' ( to get help enter 'man kill' or 'man ps' ) WHY DOESN'T ARB USE BLAST ? The basic idea of blast is to create a finite automaton for all search patterns and do the database search only once. If someone wants to start a fuzzy search ( allowing mismatches) the size of this automata increases exponentially. For example: Three mismatches in a 20-base pattern would yield about 100,000 states in the automaton per search pattern. If probe design creates 1000 search patterns, and every state needs 10 bytes of computer memory, the search operation will require 1 gigabyte RAM. You will need a lot of swap space to run multiple PT_SERVER. WARNINGS Do not modify any databases in $ARBHOME/lib/pts/ except by the <PT_SERVER Admin> tools. The reason is to keep the write protections of those files consistent. BUGS Sometimes some bugs �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/quit.hlp����������������������������������������������������������0000644�0126641�0000013�00000001247�11213220015�020054� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Quit OCCURRENCE ARB_NT/File/Quit DESCRIPTION To exit ARB without saving the most recent changes press the 'Quit' button in the 'File' menu of the 'ARB_NT' window. This restores the database to the state it was in the last time it had been saved. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rdp_ift.hlp�������������������������������������������������������0000644�0126641�0000013�00000001045�11440743001�020524� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tags.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: rdp OCCURRENCE ARB_IMPORT DESCRIPTION This is a well designed reader for files from RDP. It reads a lot of additional information. NOTES Destination fields are tagged by [RDP] �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/realign_dna.hlp���������������������������������������������������0000644�0126641�0000013�00000004002�11440743001�021334� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB translate_dna_2_pro.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Realign DNA OCCURRENCE ARB_NT/Sequence/Align sequences/Realign nucleic acid according to aligned protein DESCRIPTION If you have translated DNA sequences into protein sequences and then have aligned the resulting protein sequences, this function can be used to re-align the DNA sequences according to the (modified) protein alignment. Simply select the protein and the corresponding DNA alignment and press 'REALIGN' to re-align the DNA sequences of all marked species. NOTES If the species contains a field 'transl_table' (which should contain the translation table number as used by the EMBL database) it is used to detect the correct translation table. If no such field is defined a translation-table-auto-detection takes place. If the species contains a field 'codon_start' it is overwritten with '1' to make further translations work properly. EXAMPLES None WARNINGS If you have single DNA bases at the beginning (or end) of the DNA sequence there have to be corresponding proteins in the protein sequence. Otherwise translation will fail. Normally, if you use codon start other than 1 during translation, a 'X' will be inserted into the resulting protein sequence. That X is required by the re-aligner to skip up to 3 DNA positions, while it is trying to find the correct ORF. Missing X's at protein sequence start are a very common cause, for various kinds of error messages from the re-aligner. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/regexpr.hlp�������������������������������������������������������0000644�0126641�0000013�00000014617�11440743001�020562� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB parser.hlp SUB commands.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Regular Expressions (REG) OCCURRENCE Many places DESCRIPTION Ways to use regular expressions There are two ways to use regular expressions: [1] /Search Regexpr/Replace String/ [2] /Search Regexpr/ [1] searches the input for occurrences of 'Search Regexpr' and replaces every occurrence with 'Replace String'. [2] searches the input for the FIRST occurrence of 'Search Regexpr' and returns the found match. If nothing matches, it returns an empty string. Notes: * You can use regular expressions everywhere where you can use ACI and SRT expressions. * At some places only [2] is available (e.g. in Search&Query). * Normally regular expressions work case sensitive. To make them work case insensitive, simply append an 'i' to the expression (i.e. '/expr/i' or '/expr/repl/i') DESCRIPTION Syntax of POSIX extended regular expressions as used in ARB A regular expression specifies a set of character strings, e.g. the expression '/pseu/i' specifies all strings containing "pseu", "Pseu" or "pSeu" and so on. We say the expression "matches" (a part of) these strings. Several characters have special meanings in regular expressions. All other characters just match against themselves. Special characters: '.' matches any character (e.g. '/h.s/' matches "has" and "his") '[xyz]' matches 'x', 'y' or 'z' '[a-z]' matches all lower case letters '^' matches the beginning of the string (e.g. '/^pseu/i' matches all strings starting with "pseu") '$' matches the end of the string (e.g. '/cens$/i' matches all strings ending in "cens") '*' matches the preceding element zero or more times (e.g. '/th*is/' matches "tis", "this", "thhhhhhiss", ..) '?' matches the preceding element zero or one time (e.g. '/th?is/' matches "tis" or "this", but not "thhis") '+' matches the preceding element one or more times (e.g. '/th+is/' matches "this" or "thhhis", but not "tis") '{mi,ma}' matches the preceding element 3 to 5 times (e.g. '/th{2,4}is/' matches "thhis", "thhhis" or "thhhhis") '|' marks an alternative (e.g. '/bacter|spiri/i' matches all strings containing "bacter" or "spiri") '()' marks a subexpression. Subexpressions can be used to separate alternatives or to mark parts for use in the replace expression (see below). (e.g. '/bact|spiri.*cens/' match '/bact/' or '/spiri.*cens/', whereas '/(bact|spiri).*cens/' match '/bact.*cens/' or '/spiri.*cens/') To match against special characters themselves, escape them using a '\' (e.g. '/\*/' matches the character "*", '/\\/' matches "\") Character classes: [...] is called a character class. It matches against any of the characters listed in between the brackets. [^...] If the character class starts with '^' it matches against any character NOT listed (e.g. '[^78]' matches all but '7' or '8') [5-9] If the character class contains a '-' it is interpreted as "range of characters". Here '5-9' is equivalent to '56789'. You may mix ranges and single characters, e.g. '14-79' is same as '145679', '7-91-3' is same as '789123'. To add special characters to a character class, escape them using '\'. There are several special predefined character classes like '[:word:]' or '[:punct:]'. See link below for details. Links: * A more in-depth explanation of POSIX extended regular expressions can be found at LINK{http://en.wikipedia.org/wiki/Regular_expression#POSIX}. * Many examples are given in this guide: LINK{http://www.digitalamit.com/article/regular_expression.phtml} Notes: * if a expression matches one string multiple times, the longest leftmost match is used (e.g: '/a*e*/' matches 'aaeee' at position 3 of the string 'bbaaeeeffaegg', not 'ae' at position 10). DESCRIPTION Special syntax for search and replace Syntax: '/regexp/replace/' The part of the input string matched by 'regexp' gets replaced by 'replace'. Simple example: Input string: 'The quick brown fox jumps over the lazy dog' Search&replace: '/fox|dog/cat/' Result: 'The quick brown cat jumps over the lazy cat' Additionally the match (or parts of it) can be referenced in the replace string: \0 refers to the whole match \1 refers to the first subexpression \2 refers to the second subexpression ... \9 refers to the ninth subexpression Example using refs: Input string: 'The quick brown fox jumps over the lazy dog' Search&replace: '/(brown|lazy)\s+(fox|dog)/\2 \1/' Result: 'The quick fox brown jumps over the dog lazy' BUGS No bugs known �����������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/registration.hlp��������������������������������������������������0000644�0126641�0000013�00000001710�11213220015�021577� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile @@@ ******** TITLE Register Yourself / Bug Report SECTION REGISTRATION Please fill in your name, department, and what do you want to do with ARB. So we can inform you about new program releases, database updates and bugs in old versions. SECTION BUG REPORT When you find bugs in the program, (and you will), please send a short description of the bug and the conditions under which it happened. Most bugs need only an hour to fix and will automatically be part of the new version. In most cases we will fix it and send you a notice that you can download the new ARB. If we need more information we will send you our questions. NOTE None ��������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rename.hlp��������������������������������������������������������0000644�0126641�0000013�00000003606�11440743001�020351� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_rename.hlp UP mg_names.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Generate new names OCCURRENCE ARB_NT/Species/Generate new names ARB_MERGE/Check Names/Rename species DESCRIPTION Starts the 'NAME SERVER' to update names within the specified database according to the information stored in the file '$ARBHOME/lib/nas/names.dat'. Press the 'GO' button. NOTES It is possible to link names.dat to a central names.dat, but you should be aware, that there may occur temporary inconsistencies, if multiple users use the nameserver at the same time. The name server examines names.dat and terminates within 5-10 seconds if the file changes. A message is written to the console window in either case. Another way to use a central NAME SERVER is to edit '$ARBHOME/lib/arb_tcp.dat' and to specify a central server for ARB_NAME_SERVER. This completely avoids any inconsistencies. EXAMPLES None WARNINGS Missing 'acc' fields are generated automatically by this function. If there is some warning about duplicate entries, you REALLY should try to understand the reason why this happens: It only happens, when you have multiple species with the same 'acc' entry (which is strongly unrecommended). To solve that problem either - delete the duplicated species or - modify duplicated acc entries by appending some personal suffix (e.g. your initials) BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/resorttree.hlp����������������������������������������������������0000644�0126641�0000013�00000001272�11213220015�021266� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Sort Tree Topology OCCURRENCE ARB_NT/Tree/Sort Tree DESCRIPTION Arranges branches and groups (triangles [radial tree] and rectangles [dendrogram]) according to depth and size. NOTES This facilitates the comparison of tree topologies resulting from different treeing approaches. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/result.hlp��������������������������������������������������������0000644�0126641�0000013�00000001016�11440743001�020411� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_HELP_SEARCH OCCURRENCE anywhere in ARB-Help DESCRIPTION The subtopics contain all helpfiles in which the specified word was found in. EXAMPLES None WARNINGS None BUGS None ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rna3d_dispBases.hlp�����������������������������������������������0000644�0126641�0000013�00000004741�11440743001�022107� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP rna3d_general.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Display options for the Residues / Bases OCCURRENCE In ARB primary structure editor (ARB_EDIT4) -> RNA3D DESCRIPTION To achieve more performance and dynamic overlay of any sequence associated information, rendering (drawing) was simplified to chain display with the capacity to display residues in the form nucleotides - Adenosine (A), Guanine (G), Cytosine (C) and Uracil (U) at the respective coordinates in the molecule. Also viewing the entire chemical structure in the molecule’s 3D structure is less readable. Display Bases By enabling the check box the corresponding residues in the rRNA sequence can be displayed on the rRNA 3D structure. Disabling this check box will display the molecule skeleton without residues. Helix Region Enabling this check box will display residues that are participating in Helix formation in the secondary structure models of small subunit rRNA. Unpaired Helix Region Enabling this check box will display residues that are participating in bulge (unpaired helix) formation in the secondary structure models of small subunit rRNA. Non-Helix Region Enabling this check box will display residues that are participating in loop (non-helix) formation in the secondary structure models of small subunit rRNA. Display Size The size of the residues displayed can be changed by specifying the desired size in “Display size†box. CHARACTERS The corresponding residues are displayed with the actual nucleotides - Adenosine (A), Guanine (G), Cytosine (C) and Uracil (U). SHAPES The corresponding residues are displayed with the respective shapes specified for different structural motifs. By setting different colors for the secondary structural motifs (loops, stems and bulges) using “Color Settingsâ€, the respective regions can be easily recognized in the rRNA 3D structure. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rna3d_dispHelices.hlp���������������������������������������������0000644�0126641�0000013�00000005315�11440743001�022424� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP rna3d_general.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Mapping Secondary Structural Information OCCURRENCE In ARB primary structure editor (ARB_EDIT4) -> RNA3D DESCRIPTION Secondary and tertiary structure interactions of the well established comparative structure models of rRNA which are used in SECEDIT to generate 2D structure models are fitted to the three-dimensional structure of E. coli master sequence. DISPLAY HELICES: Enabling this check box maps the secondary structural motifs (loops, helices and bulges) onto the molecule. Secondary structural information is according to the comparative models of rRNA used in primary and secondary structure editors. HELIX SKELETON: Enabling will draw a skeleton of secondary structure mask. By setting a grey or light color you can achieve transparent mask avoiding any interference with other information overlays. DISPLAY MID-HELIX: This displays middle point of the helices. DISPLAY HELIX NUMBER: Checking this box will display the corresponding helix numbers in the rRNA 3D structure. Helix numbers are according to ARB numbering scheme. The small subunit (16S) rRNA of E.coli contains 50 helices which are numbered from 1 to 50. DISPLAY NUMBER OF HELICES: Using this you can set the number of helices you would like to be displayed in the 3D molecule. This feature is very helpful to thoroughly examine the specific helices in the structure. HELIX SIZE: Thickness or the size of the helices can be set by specifying the desired value in this box. DISPLAY TERTIARY INTERACTIONS: The tertiary interactions observed in small subunit rRNA can be displayed in the three-dimensional conformations of small subunit rRNA by enabling this check box. The tertiary information data is from Gautheret et al. Color settings related to helix, skeleton, mid-helix, helix number and tertiary interactions can be changed using “Color Settings†of the main RNA3D window. NOTES Gautheret D, Damberger SH, Gutell RR: Identification of base-triples in RNA using comparative sequence analysis. J Mol Biol 1995, 248: 27-43. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rna3d_dispMolecule.hlp��������������������������������������������0000644�0126641�0000013�00000005603�11440743001�022615� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP rna3d_general.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE General Display Options OCCURRENCE In Primary Structure Editor (ARB_EDIT4) -> RNA3D Program DESCRIPTION The following display options can be set to the three-dimensional structure of small subunit rRNA - Display Molecule Skeleton Enabling this will display the entire molecule skeleton in a user-defined color. By setting a grey or light color you can achieve transparent contours of the molecule displayed avoiding its interference with the mapping information. SIZE: The size or thickness of the skeleton can be set by specifying the desired thickness in the “size†box. By default it is set to decimal 5. COLORIZE MOLECULE SKELETON: Based on the residues participating in secondary structural motifs (loops, helices, bulges) the molecule skeleton can be colored. Color settings with respect to secondary structural motifs can be changed using the “Color Palate†of the RNA3D interface. DISPLAY BASE POSITION: Base positions corresponding to the reference sequence (Escherichia coli) can be displayed by checking this check box. The interval of positions to be displayed can be changed by specifying the desired “interval size†at the included box. Displaying the base positions helps i) to locate probe binding sites within the molecule, ii) to refine the sequence alignments according to the molecule structure, and also iii) to identify the exact position in the primary sequence, where insertions, deletions and base substitutions occur with respect to the template sequence when a different rRNA sequence is mapped onto the master structure. ROTATE MOLECULE: Enabling this check box rotates the molecule automatically. The direction and speed of the rotation can be changed by using left mouse button and mouse movement, respectively. Alternatively, molecule can also be rotated by pressing “space bar†on the keyboard. DISPLAY CURSOR POSITION: Checking this box will enable the cursor position to be displayed in the molecule. Cursor position is directly connected to primary structure editor (ARB_EDIT4) and any movement of cursor in ARB_EDIT4 is instantly updated in the RNA3D window. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rna3d_general.hlp�������������������������������������������������0000644�0126641�0000013�00000004050�11440743001�021600� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP rna3d_manual.pdf #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB rna3d_dispMolecule.hlp SUB rna3d_dispBases.hlp SUB rna3d_dispHelices.hlp SUB rna3d_mapSeqData.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Visualization of Three-dimensional structure of small subunit (16S) rRNA OCCURRENCE In Primary Sequence Editor (ARB_EDIT4) DESCRIPTION This program (RNA3D) displays the three-dimensional structure of small subunit (16S) rRNA in OpenGL 3D environment. The annotation of RNA three-dimensional structures consists of a preprocessing of the information embedded in their 3D coordinates. It processes PDB structural information stored in the PDB file (1M5G) and used for further structural analysis and searches. To provide user with the more detailed perspective of 16S rRNA structure, structural information corresponding to the ribosomal proteins were excluded during processing. The extracted structural information is then fed to OpenGL engine, where it is further transformed into a hierarchy of OpenGL objects, which encode molecule chains, residues and base positions. At this stage, further processing may occur, for example when the user requests the mapping of secondary structure information of rRNA onto the molecule in the form of loops and stems. Any information derived from the multiple alignments (phylogenetic information) is merged into the structural information or rRNA molecule in the post-processing step. NOTES More information regarding merging secondary structure information and mapping individual rRNA sequence,sequence associated data, oligo-nucleotide probes can be found in the respective help files. See "Subtopics" section. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rna3d_manual.pdf.gz�����������������������������������������������0000644�0126641�0000013�00001007604�11213220015�022047� 0����������������������������������������������������������������������������������������������������ustar 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Desired rRNA sequence to be mapped onto the structure can be selected by the left mouse button in the multiple sequence alignment and the selected rRNA sequence will be instantly mapped onto the master structure. The selected rRNA sequence is annotated with mutation (base substitutions), insertion and deletion information at each site as compared to the master sequence (E. coli). For the regions where the sequences are aligned without deletion or insertion, direct base substitution (mutation) is applied. Because the C’---C’ distance is essentially the same (~10.2 Ã…) in all Watson-Crick base pairs (Watson and Crick, 1953), this simple procedure preserves the base pairing and the double helical structure while substituting the bases. Although there do exist the requirement of structural adjustments for non-Watson-Crick base pairs, currently, simple base substitutions are kept because the development of new models to achieve the necessary structural adjustments is out of the scope of the RNA3D tool. In the regions where the alignment (of selected rRNA sequence) involves insertions, the respective insertion points to corresponding E. coli base position in the alignment are shown as down arrows in the crystal structure. The number of insertions and the participating nucleotides can also be displayed at the insertion points. In the case of regions, where deletions are observed in the alignment corresponding to the master sequence (E. coli), respective sites in the crystal structure are indicated as deleted. DISPLAY OPTIONS ENABLE MAPPING: Checking this box will enable the mapping or overlaying of any information onto the molecule globally. It is very useful to swiftly switching off mapping information. MAP SELECTED SPECIES: This check box will enable mapping rRNA sequence data contained in the multiple alignments onto the 3D molecule. DISPLAY BASE DIFFERENCE: Enabling this check box will display the substitutions or mutations observed with respect to E.coli sequence onto 16S rRNA 3D structure. DISPLAY BASE POSITION: Base positions corresponding to the observed substitutions or mutations in the mapped rRNA sequence are displayed by enabling this check box. DISPLAY DELETIONS: Enabling this check box will display deletions in mapped rRNA sequence with respect to E.coli reference sequence data. DISPLAY INSERTIONS: Enabling this check box will display insertions in mapped rRNA sequence with respect to E.coli reference sequence data. By checking 'Bases' box, the number of insertions along with the actual bases or residues is displayed at the insertion points. DISPLAY MISSING BASES: Bases or residues which are presumed to be missing in the rRNA sequence alignments when comparing with the consensus model and/or during manual curation, can be visualized in the 3D structure. Missing bases denoted as dots ('.') in the multiple sequence alignments are mapped onto the rRNA 3D structure as question marks ('?') by enabling this check box. Such missing bases are more often attributed to errors during sequencing. Color settings related to mapped sequence data including insertions, deletions, mutations, and missing residues can be changed using 'Color Settings' of the main RNA3D window. MAPPING OLIGO-NUCLEOTIDE PROBES: The localization of the proposed oligo-nucleotide probe targets can be visualized in customizable background colors with in the rRNA crystal structure. Using the navigation capabilities of RNA3D tool (see “Navigation†section), one can get an idea about the probable binding site of the proposed probe with respect to the structural conformation of rRNA. Oligo-nucleotide probes are designed using integrated Probe Design and Probe Match tools of ARB. The selected oligo-nucleotide probe in probe match window is directly mapped onto the rRNA 3D structure by enabling “Map Search Patterns†check box. OVERLAYING SEQUENCE ASSOCIATED INFORMATION (SAI): Various column statistics like sequence consensus, base frequency, positional variability based on parsimony method and any other user defined column statistics that are performed on the sequence alignments can be readily overlaid onto the 3D structure. Once the column statistics are performed, the user can define the color translation table for the chosen SAI in the ARB primary structure editor (see “View | Visualize SAIs†menu). Different colors (up to 10 colors) can be set to the values or characters stored in the SAI to visualize in the molecular structure. The molecule can be re-colored using new settings anytime by clicking the color palate button (using Color Settings in RNA3D window). By enabling the “Map Sequence Associated Information†check box, the transformed data is readily overlaid onto the rRNA 3D structure. Any change in the SAIs and respective color transformations can be reapplied by clicking “refresh†button. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rst_log_zoom.hlp��������������������������������������������������0000644�0126641�0000013�00000001560�11213220015�021605� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mode.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Reset Logical Zoom OCCURRENCE ARB_NT/ETC/Reset Logical Zoom DESCRIPTION Displays the full tree. To display the full tree choose the 'Reset Logical Zoom' item from the 'ETC' menu of the 'ARB_NT' window. NOTES To display subtrees (logical zoom) activate the 'LOGICAL ZOOM MODE' by clicking on the <Zoom> button of the 'ARB_NT' window or pressing the 'F5' key on the keyboard. In the latter case, the cursor has to be placed within the tree display area. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/rst_phys_zoom.hlp�������������������������������������������������0000644�0126641�0000013�00000001673�11213220015�022014� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Reset Physical Zoom OCCURRENCE ARB_NT/ETC/Reset Physical Zoom DESCRIPTION Restores the initial scale of the tree display. NOTES To magnify sections of the tree display (physical zoom) activate the 'ZOOM MODE' by clicking on the <PZoom> button of the 'ARB_NT' window or pressing the 'F4' key on the keyboard. In the latter case, the cursor has to be placed within the tree display area. EXAMPLES To restore the initial scale of the tree display choose the 'Reset Physical Zoom' item from the 'ETC' menu of the 'ARB_NT' window. WARNINGS None BUGS No bugs known ���������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/saiProbeHelp.hlp��������������������������������������������������0000644�0126641�0000013�00000004016�11440743001�021453� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Visualization of Sequence Associated Information (SAI) of Probe Match Results. OCCURRENCE In ARB primary Window (ARB_NT) : Probes (MENU) -> Match Probes (SUBMENU) DESCRIPTION This window aides Visualization of Sequence Associated Information (SAIs) of the Potential Probe Targets that were designed (PROBE DESIGN TOOL) and matched using PROBE MATCH TOOL. Steps to be followed to VISUALIZE SAIs for the Potential Probe Targets: 1. Select SAI to be visualized from the Select SAI Menu. (FILE -> SELECT SAI) 2. Define Desired Colors (COLOR 0 to COLOR 9) for the respective CHARACTERS / NUMBERS in the selected SAI to paint as background of the Probe Targets list. (FILE -> DEFINE COLOR TRANSLATIONS) 3. Values or Characters contained in the SAIs selected can also be displayed below each Probe Targets by selecting the DISPLAY SAI CHECK BOX in DEFINE COLOR TRANSLATION window. 4. Once the desired SAI is selected and the respective color translation is defined, the SAI is painted as the background of the probe targets in the defined color ranges with respect to SAIs. One can change the COLOR RANGE by going to FILE -> SET COLORS AND FONTS menu. NOTES Color Translation Definitions defined for various SAIs can be saved by clicking SAVE button in DEFINE COLOR TRANSLATION window. (Press STORE to save the definitions and press RESTORE to restore the saved definitions). To save the Color Translation Definitions permanently Go to ARB_NT window and save PROPERTIES under PROPERTIES MENU. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/saveas.hlp��������������������������������������������������������0000644�0126641�0000013�00000002116�11440743001�020357� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Save As OCCURRENCE ARB_NT/File/Save As DESCRIPTION Copies the current version of the database including any changes that have been made since the last save to the name specified. Choose the 'Save as' option from the 'File' menu to display the 'SAVE ARB DB' window. Select a file name from the 'Directories and Files' subwindow or type the full path and file name to the subwindow 'FILE NAME:', press the <SAVE> button and wait until the 'SAVE ARB DB' window disappears. NOTES The suffix shown in the 'SUFFIX' subwindow is appended to the file name. It has to be '.arb' to make the file readable to the ARB programs. EXAMPLES None WARNINGS !!! All local file-permissions are removed.!!! BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/save_def.hlp������������������������������������������������������0000644�0126641�0000013�00000001163�11440743001�020652� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Save Defaults OCCURRENCE ARB_NT/File/Save Defaults ARB_NT/Tree/Neighbour joining/File/Save Defaults ARB_NT/ARB_EDIT/File DESCRIPTION Saves the userdefined setup (colours, fonts, ...) to files NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/savedef.hlp�������������������������������������������������������0000644�0126641�0000013�00000003360�11440743001�020514� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Save Defaults OCCURRENCE ARB_NT/File/Save Defaults ARB_NT/Tree/Neighbour joining/File/Save Defaults ARB_NT/ARB_EDIT/File ARB_EDIT4/Properties/Save defaults ARB_SECEDIT/Properties/Save defaults ARB_GENEMAP/Properties/Save defaults ARB_MERGE/File/Save properties DESCRIPTION Saves the userdefined setup (colours, fonts, ...) to files '~/.arb_prop/*' located in the users home directory. NOTES To reset ARB to it's defaults simply remove one/all *.arb files from the directory '~/.arb_prop' The files in ~/.arb_prop are textfiles. Advanced users may remove or change single sections or entries. You can hand over your properties to another user by giving him your property-files. SECTION GENERAL NOTES ABOUT PROPERTIES Most settings you can change in ARB are saved either - to properties or - with your database. Nevertheless some setting are not stored anywhere (some intentionally, some by mistake). Please notify LINK{arb@arb-home.de} if you think - a setting should be saved in properties (instead of always setting the same useless default value) - a setting should be saved in the database instead of properties (or vice versa) EXAMPLES None WARNINGS Better make backups of these files before you change them. Be careful with ARB_MERGE: It uses the same properties as ARB_NT! BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/save.hlp����������������������������������������������������������0000644�0126641�0000013�00000003540�11213220015�020026� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Save Database OCCURRENCE ARB_NT/File/Save DESCRIPTION To save the entire database, choose 'Save Whole Database' from the 'File' menu of the 'ARB_NT' window. You may also save only the changes to the database with the 'Save Changes' or 'Save Changes as' functions. 'Save Changes' saves all changes to the database 'data.arb' to a file 'data.aXX' where XX is a numbered from 01 to 99 and 00 (means 100). This is normally much faster than saving the entire database and results in much less disc consumption. Each time you save your changes, X is increased by one. The last 10 old data.aXX are not deleted and allow you to step to an old state. All data.aXX are independent and you may delete old changes files without losing data (as long as the latest is unchanged) When you start arb you can choose among the different files: enter 'arb filename.arb' to search and load the latest changes, enter 'arb filename.aXX' to load a user-defined version. NOTES Loading a specific quick save is also possible from the ARB INTRO window. WARNINGS None BUGS Not all changes to the database can be saved into a small file - especially, changing the order of database entries disables a quick save. Hopefully no real bugs. ����������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/save_matrix.hlp���������������������������������������������������0000644�0126641�0000013�00000001715�11213220015�021414� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Save matrix to file OCCURRENCE ARB_DIST DESCRIPTION None SECTION FORMATS Phylip Format: Format to be reused in Phylip Programs Readable (using NDS): Use NDS to replace the short names by a user defined selection of fields and generate a pretty view of the matrix Tabbed (using NDS): same as 'Readable', but using TABs instead of Spaces and ',' instead of '.'. Import this into star-calc/excel/etc.. WARNING None BUGS You cannot select the number of digits after '.'. ���������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/scandb.hlp��������������������������������������������������������0000644�0126641�0000013�00000002755�11213220015�020331� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Scan Database for all Fields OCCURRENCE ARB_NT/Species|Genes|Experiments/Info/FIELDS/Show all hidden fields ARB_NT/Species|Genes|Experiments/Info/FIELDS/Scan unknown fields ARB_NT/Species|Genes|Experiments/Info/FIELDS/Remove unused fields DESCRIPTION Each function scans the database to detect all existing fields. - 'Show all hidden fields' unhides all currently hidden fields. - 'Scan unknown fields' scans the database for fields that are not listed in the field list and adds them to that list. - 'Remove unused fields' deletes all fields from the field-list which are not used anywhere in the database. NOTE Normally it is not necessary to run 'Scan unknown fields' unless some external programs generate new and yet unknown fields or if the ARB programmers forgot to announce a field as known. In the latter case please write to LINK{devel@arb-home.de} and describe which fields was created by doing what. EXAMPLES None WARNINGS None BUGS No bugs known �������������������./arbsrc_9167/HELP_SOURCE/oldhelp/search_duplicates.hlp���������������������������������������������0000644�0126641�0000013�00000002435�11241731454�022573� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB sp_search.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search for equal fields OCCURRENCE ARB_NT/Search/More search/Search for equal fields and mark duplicates ARB_NT/Search/More search/Search for equal words between fields and mark duplicates DESCRIPTION Searches groups of species containing * the same value or * identical words in values in the field selected at 'Search field' of the first query. All duplicated occurrences are added to the hitlist - first occurrence gets '1st' added, following occurrences get 'dup' added. The first occurrence is NOT marked, all following occurrences get marked - so you can easily perform some action on duplicates. NOTES If you select 'that don't match the query' in the search window, this function instead searches for unique entries! EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/search_equal_fields.hlp�������������������������������������������0000644�0126641�0000013�00000004227�11241731454�023074� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mg_species.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search entries existing in both databases OCCURRENCE ARB_MERGE/Transfer species/DB_I_Expert/Search entries existing in both DBs ARB_MERGE/Transfer species/DB_I_Expert/Search words existing in entries of both DBs ARB_MERGE/Transfer species/DB_II_Expert/Search entries existing in both DBs and listed in the DB I hitlist ARB_MERGE/Transfer species/DB_II_Expert/Search entries existing words existing in entries of DBs and listed in the DB I hitlist DESCRIPTION Searches for * entries or * words in entries of the 'Search field' selected in the first query expression. When you use the functions from DB_I_Expert, all species are queried and searched for equal entries (or words in entries). Search is performed only in the field selected in the first query of DB I. When you use the functions from DB_II_Expert, only those species currently listed in the DB I hitlist are queried and searched for equal entries (or words in entries). Search is performed only in the field selected in the first query of DB II. If you select 'that don't match' in the search&query windows, species are only listed if they have an entry which doesn't exist in other DB. NOTES As a shortcut to search for equal entries, you can enter an empty 'Search string' in the first query (of DB I or DB II). Searching for marked species is not affected! If you need to search for empty fields, * either use the second query or * search for '*' and select 'don't match' EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/searching.hlp�����������������������������������������������������0000644�0126641�0000013�00000012220�11241731454�021045� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Searching OCCURRENCE ARB_NT/Species/Search and Query ARB_NT/Genome/Search and Query DESCRIPTION This describes the search feature in ARB. When we talk about 'items' below, we mean e.g. 'species', 'genes', etc., depending which search tool you are currently using. SECTION SEARCH FIELD Each search expression applies either - to a specific item field (e.g. 'full_name') or - if you select the '[any field]' pseudo search field, all direct database subentries of the item are searched for the expression. This does NOT work for subcontainers (i.e. 'ali16s/data' is not searched). SECTION SEARCH EXPRESSION - Each expression tries to match the complete field content, i.e. searching for 'test' will match only fields which exactly contain 'test' (not 'my test' or 'testing'). - If you search for '' (empty expression), all fields w/o data, i.e. all non-existing fields will be found. - if you want to match all fields that contain some substring then use wildcards: - '*' will match any number of characters (including no characters). - '?' will match exactly one character If the whole search expression is '*', then it is handled like '?*' (which means 'at least one character'). So searching for '*' will report all existing fields. Examples: '*pseu*' matches all fields with the substring 'pseu' 'pyrococcus*' matches all fields starting with 'pyrococcus' '*bact*ther*' matches all fields with the substring 'bact' followed by 'ther' (there may be many characters in-between or none, i.e. it as well matches 'bactther') - if the first character is '<' or '>' and the rest is a number, then a numerical comparison is done: - '<7' matches all fields containing a number smaller than 7 - '>10' matches all fields containing a number greater than 10 Be careful: Negating '<7' does NOT only match numbers greater or equal to seven. It as well finds all non-numeric contents. Use something like '>6.999' instead. - if the first character is '/' then the following regular expression is used for the query (see LINK{regexpr.hlp}). - if the first character is '|' then the following ACI expression is evaluated and the query hits, if the evaluation is not "0". See LINK{commands.hlp}. - if the query string is completely empty, it hits if the selected field does not exist. SECTION SORTING RESULTS Search results are displayed unsorted by default. You can sort them, by selecting a different order with the sort radio button. The available sort criteria are unsorted display items like they are stored in database by value sort by content of first query field by id sort by unique item id (e.g. 'name' for species) by parent sort by globally unique id of parent item (e.g. 'name' of organism for genes) by marked sort marked before unmarked items by hit sort by (and display) hit description (the hit description tells you why an item was hit by query) reverse reverts previously selected sort order ARB remembers and uses all the sort criteria you apply. Example: Selecting 'by id' will sort the items by their id (e.g. 'name'). If you select 'by value' afterwards, ARB will sort items by the content of the first query field - if the contents of some items are equal, it will still sort them by name. NOTES Wildcarded or exact search always searches case insensitive. Regular expression search always searches case sensitive. EXAMPLES see LINK{sp_search.hlp} WARNINGS Using ACI is a bit tricky here, cause you cannot see what happens. Using 'trace(1)' somewhere in the ACI expression starts to print an ACI trace to the console. Don't forget to use 'trace(0)' afterwards, otherwise that may slow down ARB. BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sec_display.hlp���������������������������������������������������0000644�0126641�0000013�00000002230�11213220015�021362� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SECEDIT Display settings OCCURRENCE ARB_SECEDIT/Properties/Display settings DESCRIPTION Here you can change various options: Show Helix Numbers Toggles the display of Helix numbers Distance between strands Sets the distance between opposite helix strands (default=1) Hide bonds Toggle and define display of bonds. Hide bases Toggle display of bases Visualize SAIs Toggle SAI visualization Display Structure Skeleton + Skeleton thickness Draw a skeleton of the secondary structure with variable line thickness. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/secedit_imexport.hlp����������������������������������������������0000644�0126641�0000013�00000001353�11213220015�022437� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Export & import secondary structure OCCURRENCE ARB_SECEDIT/Files/Import Structure /Export Structure DESCRIPTION Export secondary structure to file and import secondary structure from file. NOTES None EXAMPLES None WARNINGS After you have changed the length of the alignment, it's no longer possible to import your exported secondary structure. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sec_keys.hlp������������������������������������������������������0000644�0126641�0000013�00000002650�11213220015�020676� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_SECEDIT shortcut keys OCCURRENCE ARB_SECEDIT DESCRIPTION The following keys are available in ARB_SECEDIT: LEFT/RIGHT move cursor to the previous/next displayed position b toggles display of bonds B toggles display of base chars k toggles display of structure skeleton c toggles cursor annotation h toggles helix number annotation e toggles ecoli position annotation s toggles SAI visualization r toggles EDIT4 search result visualization E toggles display of all ecoli positions H toggles display of all binding helix positions t toggles between multiple structure versions NOTES All other keys are forwarded to ARB_EDIT4, so you can edit or align the primary structure etc. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sec_main.hlp������������������������������������������������������0000644�0126641�0000013�00000001517�11213220015�020650� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB arb_secedit.hlp SUB sec_mode.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_SECEDIT main window OCCURRENCE ARB_SECEDIT DESCRIPTION Several function are available via buttons in the top region of the window: Button Description Toggle Toggles between multiple versions of the secondary structure. Center Centers the cursor in the viewport Fit Fit structure into viewport NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sec_mode.hlp������������������������������������������������������0000644�0126641�0000013�00000004277�11440743001�020665� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_secedit.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE ARB_SECEDIT modes OCCURRENCE ARB_SECEDIT/mode buttons DESCRIPTION ZOOM MODE Mode to zoom the displayed secondary structure. You can zoom in by dragging a rectangle with the left mouse button. You can zoom out by clicking or dragging the right mouse button. HELIX MODE Mode to build and destroy helix regions. Left mouse button converts the clicked loop region into a helix region (if possible). Right mouse button removes the clicked helix region. Hint: If you display SAI: HELIX it's easy to detect the helix regions. SET ROOT MODE Left click on a loop which should be the fixpoint of your secondary structure. The root loop will not move if you create or remove helix region nor if you rotate branches of the secondary structure. Right click onto a loop or helix to reset the angles between it and its neighbours. ROTATE MODE Left click onto a helix or loop to rotate it (and its complete substructure). Use right click to rotate w/o rotating the substructure. STRETCH MODE Left click and drag a helix or loop to stretch or compress its size. Right click to remove size constraints. CONSTRAINT MODE Left click on a helix or loop and edit its size constraints manually. SET CURSOR MODE Left click on a base character to set the cursor position in the primary structure editor. PROBE INFO MODE Left click on NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sec_props.hlp�����������������������������������������������������0000644�0126641�0000013�00000001204�11440743001�021067� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP e4.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE How to save properties OCCURRENCE ARB_SECEDIT/Properties/How to save Properties DESCRIPTION ARB_SECEDIT is part of ARB_EDIT4. To save properties for ARB_SECEDIT save those for ARB_EDIT4 NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/security.hlp������������������������������������������������������0000644�0126641�0000013�00000002155�11440743001�020747� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB set_protection.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Protection Level OCCURRENCE ARB_NT/Protection ARB_EDIT/EDIT/Set Protection Level ... DESCRIPTION An individual protection level (0 - 6) can be assigned to all types of database entries (sequences and additional information stored in a particular 'field'). To modify any entries, a protection level has to be selected from the 'Protection' menu of the main window equal to or higher than that assigned to the data. Default Protection Levels: Sequence names: 5 You can see the Protection level of fields in the species/gene information window. EXAMPLES None WARNINGS It is recommended to reset the protection level after performing operations to prevent unintentional modification or loss of data. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sel_box.hlp�������������������������������������������������������0000644�0126641�0000013�00000002146�11213220015�020524� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Write to File OCCURRENCE ARB_NT/ETC/Probe Design/PROBE DESIGN <RESULT/SAVE> DESCRIPTION Writes data to an ascii file. Select a file name from the 'Directories and Files' subwindow of the displayed 'SELECTION BOX' or Type a file name to the 'File Name' subwindow. A suffix typed or displayed in the 'Suffix' subwindow is used as a filter for the file names to be displayed and is automatically appended to a file name typed. The length (number of ranked probe or target proposals) can be defined by selecting a value from the menu displayed after pressing the 'How many Lines' button. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/selected_gene.hlp�������������������������������������������������0000644�0126641�0000013�00000001534�11213220015�021657� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP species.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Selected gene OCCURRENCE ARB_NT/Genes/Info DESCRIPTION An individual gene can be selected. There are several ways to select a gene: 1. Search for a gene using ARB_NT/Genes/Search and then select one gene from the result list. 2. Click on a gene in ARB_NT/Gene Map When a gene is selected the content of the GENE INFORMATION window changes. NOTES Selecting a gene of another species changes the current species! WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/selected.hlp������������������������������������������������������0000644�0126641�0000013�00000002241�11440743001�020664� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Selected Species and Cursor Position OCCURRENCE ARB_NT ARB_EDIT ARB_PARS DESCRIPTION An individual species (not SAI) can be selected. That means: 1. Its database entries are displayed in the 'SPECIES INFORMATION' window <ARB_NT/Species/Info> 2. ARB_PARS can insert the selected species into an existing tree. 3. The sequence of the selected species can be aligned <ARB_EDIT/EDIT/Align Sequence>. 4. It can be used for filter generation. The selected species is shown at <ARB_NT/4th big button in top area>. There are several ways to select a species: 1. Press <ARB_NT/Species/Search> Search for species Select a species 2. Press <ARB_EDIT/ETC/Synchronize Cursor Position> Select one species in the editor. 3. Double click mouse at species name in the arb sequence editor ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sel_fil.hlp�������������������������������������������������������0000644�0126641�0000013�00000004571�11440743001�020521� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP extended.hlp #Please insert subtopic references (line starts with keyword SUB) SUB selected.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Select Filter OCCURRENCE ARB_NT/Tree/Neighbour joining/Select Filter DESCRIPTION Any sequence of symbols stored as 'sequence associated information' ('SAI') can be selected from the 'Select a Filter' subwindow and used as a filter for the in or exclusion of alignment columns for treeing. If any species is selected, you may use it's sequence for filter. It's name will be displayed just before the SAI names. The characters of the filter which define columns to exclude have to be defined in the respective input field. Additionally or alternatively you may define the absolute column range to be used (a range from 0 to 0 means 'use whole sequence'). The selected filter is displayed in the subwindow on the bottom. All bases may be simplified, leaving only transversions and simplified amino-acid-groups, allowing transversion parsimony/fdnaml/distmethods NOTES Any nucleotide sequence can be copied to SAI (sequence associated information) (ARB_NT/Species/Info/SPECIES/Convert to SAI) and then used as a filter. Multiple filters may be combined. In this case only those columns are used that are selected by ALL filters. EXAMPLES Include only positions which are occupied by a residue within the E. coli sequence: 1. Select 'ECOLI' from the 'Select a Filter' subwindow. 2. Type non-nucleotide symbols to the 'Exclude Column' subwindow (.-). Include only non-base paired positions: 1. Select 'HELIX' from the 'Select a Filter' subwindow. 2. Type base pair symbols to the 'Exclude Column' subwindow ([<>]). Include only positions which have been unambiguously determined within a particular sequence: 1. Select the species and convert it to 'SAI' (ARB_NT/Species/Info/SPECIES/Convert to SAI) 2. Select the new 'SAI' from the 'Select a Filter' subwindow. 3. Type non-nucleotide and ambiguity symbols to the 'Exclude Column' subwindow (.-acguRYS ....). WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sel_spec.hlp������������������������������������������������������0000644�0126641�0000013�00000002170�11440743001�020672� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_search.hlp #UP sp_search_tree.hlp UP sp_info.hlp UP arb_edit.hlp #Please insert subtopic references (line starts with keyword SUB) SUB selected.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Select species OCCURRENCE ARB_NT/Species/Search DESCRIPTION An Individual species can be selected from 'Hit list'. The 'SPECIES INFO' window showing all 'DATABASE FIELDS' and the corresponding entries is initiated or updated. The 'name' of that species appears within the species button of the main window (fourth broad rectangular button in the upper part) and is also highlighted in an activated sequence editor if present. NOTES This tool is helpful to mark or unmark individual species using the 'SPECIES INFO' window and to rapidly find its position in the tree edited in the main window pressing the 'PSEARCH' button of that window. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/seq_quality.hlp���������������������������������������������������0000644�0126641�0000013�00000006343�11440743001�021443� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Calculate sequence quality OCCURRENCE ARB_NT/Sequence/Calculate sequence quality DESCRIPTION 'Calculate sequence quality' tries to measure the quality of sequences and the quality their alignment. Since "quality" is HANDLING: Fill in the values you think are appropriate. The default values are the values that worked best in the first test runs. Many criteria are evaluated (see 'THE VALUES' below for details). A final "quality-value" (percentage) for each sequence is calculated and all sequences below the given threshold may get marked. HOW IT WORKS: In the section "weights" you have quite a few options to fill in. These are some of the criteria used to evaluate the quality of the sequences.. The values represent the share of the criteria in the final evaluation-formula. All values represent percentages, therefore all values together should sum up to 100. THE VALUES: Base analysis: This is the number of bases that are stored in the sequence. "-" and "." are not counted. Deviation: This is the deviation of the number of bases from a sequence to the average number of bases in a group. No Helices: This is the number of positions in a sequence where no helix structure can be built. Consensus: For each named group found in the tree (selected below) a consensus sequence is calculated. Every species' sequence is compared against the consensus sequences of all groups of which the species is a member. That comparison uses conformity with and deviation from the consensus sequence. # A consensus is computed from sequences in one group and then from subgroups to groups. # So "multilevel" consensi are generated. # The value consists of two analysis: Every sequence is tested against every level of the consensus. # Conformity and deviation from the consensus are measured. IUPAC: This is the number of iupac-codes stored in a sequence. GC proportion: This is the deviation in GC proportion from a sequence to group. NOTES Generally speaking the consensus is the mightiest tool to evaluate the quality. So keep the percentage high unless you know what you're doing or you want to evaluate with just one or two values. Be aware that the computation is very complex and can easily take hours to finish. So if you don't see the statusbar moving in the first ten minutes it just means that you are analyzing a huge database. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sequence_colors.hlp�����������������������������������������������0000644�0126641�0000013�00000004374�11440743001�022276� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP e4.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Change Colors Of Sequences OCCURRENCE ARB_EDIT4 DESCRIPTION The ARB_EDIT4 editor uses two tables to translate the original sequence into a colored displayed sequence: First Step: Each character in each sequence is translated into a new character and a color index (0..9) using the definitions from the 'SEQUENCE COLORS' subwindow. - There are different sets (S_0 .. S_#) of color shemes, one column for each set. - In the first row you may choose which set is used for translation. - The first column shows the characters which should be translated/replaced. - The nth + 1 column holds the data for translation set n. Each of its fields has two characters: 1. the character which should replace the original value, or '=' if no translation should be performed. 2. A color index for this character, between 0 and 9. Second Step: Each of the color indices (0..9) corresponds to one of the colors defined in <Properties/Change colors & fonts>, namely to index corresponding color 0 SEQUENCES 1 HELIX(1) 2 COLOR 2 3 COLOR 3 . . . . 9 COLOR 9 EXAMPLES You may use this feature to show: - A simplified version of your amino acid alignment. - Only YR instead of ACGTU - Only ambiguous symbols - ... BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/set_color_of_listed.hlp�������������������������������������������0000644�0126641�0000013�00000002462�11213220015�023113� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB color.hlp SUB tgroupcolor.hlp SUB markcolor.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Colorize listed species OCCURRENCE Species/Search&Query/More Functions/Set color of listed species Genes/Search&Query/More Functions/Set color of listed genes Organism/Search&Query/More Functions/Set color of listed organisms DESCRIPTION Sets an internal color flag ('ARB_color') for the currently listed items (species, genes, organisms). If items are colored, they will be displayed colorized (i.e. in tree view, in gene map, in editor, etc. NOTES You can change the colors of the different color groups in the main color properties. There are buttons named 'Edit color groups' (i.e. in ARB_NTREE/Properties/Tree: Colors and fonts). You might want to change the names of the different color groups to something more meaningful. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/set_meny_fields.hlp�����������������������������������������������0000644�0126641�0000013�00000002020�11440743001�022240� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_search.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Write to fields of listed species OCCURRENCE ARB_NT/Species/Search/WRITE TO FIELDS OF LISTED SPECIES DESCRIPTION Sets one field in all species shown in the hitlist of the species search window. EXAMPLES All species which have no accession number should get a dummy string 'no accession': 1. Open the species search window 2. Search species that don't match the query Search field = acc Search string = * Press 'Search' 3. Press WRITE TO FIELDS OF LISTED SPECIES 3.a Select field name = 'acc' 3.b Field value = no accession 3.c Press SET ALL EMPTY FIELDS WARNINGS You may easily destroy valuable data. BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/set_protection.hlp������������������������������������������������0000644�0126641�0000013�00000002122�11213220015�022124� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Set Protection Level of Field of Listed Species OCCURRENCE <ARB_NT/Species/Search&Query/More functions/Set Protection ...> DESCRIPTION Set the protection level of one field of listed species. EXAMPLES Disable editing of the full_name field of all entries which came from GENBANK/EMBL: 1. Search for species with an accession number: - Press <ARB_NT/Species/Search> - Select: Search Species that match the query - Search Field: 'acc' - Search String: '*' - Press 'SEARCH' 2. - Press <Do_On_Listed/ Set Protection ..> - Select 'full_name' - Select '6' - Press 'PROTECT' WARNINGS see BUGS BUGS You can only change the protection level of existing entries. New entries will automatically get the p. level 0. ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sina_main.hlp�����������������������������������������������������0000644�0126641�0000013�00000013055�11460347216�021051� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Graph Aligner OCCURRENCE ARB Editor -> Edit -> Prototypical Graph Aligner DESCRIPTION This is an alternative to the integrated aligners developed for the SILVA project. Similar to those aligners it uses aligned sequences from your current database as a reference to align the selected sequences. Other than them it employs full dynamic programming to create the alignment. It also considers all selected relatives at once, instead of falling back to less similar sequences only if the current sequence is missing bases (e.g. because it is a partial sequence). SECTION OPTIONS Select the sequences to be aligned as usual ("Current Species", "Selected Species", "Marked Species"). Select a PT-Server to be used. Make sure it is up to date and contains all sequences you want to be considered as reference. HINT: Unless you deselect the "Realign" button in the advanced menu, no sequence will be used as a reference for itself. HINT: Sequences with less than 10 gaps are considered not aligned, and also not used as a reference. Select a positional variability filter. If possible, use the filter appropriate for the type of sequences you want aligned. Positional variability statistics will be considered when placing the individual bases. Decide what to do with possible overhang. If your sequence extends beyond the reference sequences on either side of the alignment, those bases cannot be aligned properly. Three options of handling this situation are supported: "keep attached" just leave them dangling, directly attached to the last base that could be aligned properly "move to edge" move them out to the very beginning and end of the alignment. This allows you to easily spot sequences with overhang, and decide what to do yourself. Recommended, but only if you check your sequences after alignment! "remove" automatically remove these bases. Select a protection level higher than that of the sequences if you want the alignment software to actually modify the bases. Choose a lower protection level to execute a "dry run", not changing anything. Note that sequences with a protection level of zero will always be changed. The Logging Level option allows you to change the noisiness of the alignment program. All output will be printed to the console from which you started ARB. The Option "debug_graph" may produce several large files for every sequence aligned and is not recommended for the uninitiated. SECTION TRICKS If you want to see how the alignment that would be produced by the graph aligner differs from your current alignment, and why the program would act that way, you can set the protection level to "0" and the Logging level to "debug". The output on the console will now include all differing sections of the alignment and the matching parts of the reference sequences. SECTION ADVANCED OPTIONS Select the "Show advanced options" Button at the top to gain access to the you-may-now-shoot-yourself-in-the-foot-severely dialog window. Don't be surprised if the graph aligner crashes after you entered silly values here. No sanity check of your options is done. Turn check: If selected (default) sequences will be automatically reversed and/or complemented if this will likely improve the alignment. Realign: If selected, the sequence itself is excluded from the result of the executed PT-Server family search. If deselected, the alignment of an identical sequence found by the PT-Server is copied. Load reference sequence from PT Server: Do not read alignment data from your current database, but from the database the PT-Server was built from. This makes starting the graph aligner much slower, but allows you to align against external databases or PT-Servers with different sequence names than your current database. (Copy and) mark sequence used as reference: Mark the sequences that were used as a reference during alignment. This allows you to easily load them into the editor to review the decisions made by the graph aligner. If you also selected the "Load reference" option, sequences will be copied into your current database prior to being marked. Gap insertion/extension penalties: (default is 5/2) You can change the penalties associated with opening and extending gaps. Family search min/min_score/max: (default 15,0.7,40) The first value tells the graph aligner how many sequences it should try to always use. The second value determines the minimal identity with the target sequence additional reference sequences should have. The third value selects the maximal number of sequences to be used as a reference. Use at least X sequences with at least Y bases: (SSU-default is 1, 1400) This option allows you to require that the reference include X sequences of a length larger than or equal to Y. Aligner threads / Queue size: Up to 4 threads can be used to align simultaneously. If your workstation sports multiple CPUs this will speed up alignment of many sequences. Increase the size of the buffer between the graph aligner components to about 15 when using 4 threads. WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spa_copy.hlp������������������������������������������������������0000644�0126641�0000013�00000001762�11213220015�020711� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp UP gene_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Copy Species/Gene OCCURRENCE ARB_NT/Species/Info/SPECIES/Copy ARB_NT/Gene/Info/SPECIES/Copy DESCRIPTION Copies a species/gene entry. Choose the 'Copy' item from the 'SPECIES/GENE' menu to display the 'SPECIES/GENE COPY' window. Type a name to this window and press <GO> NOTES In case of copying species the ARB name server ensures that no duplicated names are created. To overwrite the entries of an existing species/gene a protection level equal or higher than that assigned to this entry has to be set on the 'ARB_NT' window EXAMPLES None WARNINGS None BUGS No bugs known ��������������./arbsrc_9167/HELP_SOURCE/oldhelp/spa_create.hlp����������������������������������������������������0000644�0126641�0000013�00000001522�11213220015�021174� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp UP gene_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Create Species/Gene OCCURRENCE ARB_NT/Species/Info/SPECIES/Create ARB_NT/Genes/Info/SPECIES/Create DESCRIPTION Creates a new species/gene entry. Choose the 'Create' item from the 'SPECIES/GENE' menu to display the 'SPECIES/GENE CREATE' window. Type a name to this window and press <GO> NOTES In case of creating a new species the ARB name server ensures that no duplicated names are created. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spa_delete.hlp����������������������������������������������������0000644�0126641�0000013�00000001445�11213220015�021177� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp UP gene_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Delete Species/Gene OCCURRENCE ARB_NT/Species/Info/SPECIES/Delete ARB_NT/Genes/Info/SPECIES/Delete DESCRIPTION Deletes a species/gene entry. Choose the 'Delete' item from the 'SPECIES/GENE' menu. NOTES To delete a species/gene entry, a protection level equal or higher than that assigned to this entry has to be set on the 'ARB_NT' window. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spaf_convert.hlp��������������������������������������������������0000644�0126641�0000013�00000002576�11213220015�021571� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Convert fields OCCURRENCE ARB_NT/Species Information/Fields/Convert fields DESCRIPTION This allows you to convert the type of a species sub-field: - Select the field to convert from the list. - Select the type you want to convert the field into. - Press 'CONVERT'. The function will fail, if the conversion would discard data, e.g. if you try to convert 'Ascii Text' into 'Numerical' and the field contains "755 nucs". Exceptions from this rule: - Spaces, TABs and LFs at start/end of content will be removed silently when converting to 'Numerical' or 'Rounded numerical' - Conversion from 'Numerical' to 'Rounded numerical' will perform rounding. The number of rounded data fields will be printed into the message box. NOTES Conversion to types 'Link' and 'MASK' is not implemented yet. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spaf_create.hlp���������������������������������������������������0000644�0126641�0000013�00000001555�11213220015�021350� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Create a Field OCCURRENCE ARB_NT/Species/Info/FIELDS/Create a field ARB_NT/Genes/Info/FIELDS/Create a field DESCRIPTION Allows to create new fields. Choose the 'Create field' item from the 'FIELDS' menu to display the 'CREATE A NEW FIELD' window. Type a name to the 'FIELD NAME' subwindow, define the type by pressing the corresponding button and press <GO>. NOTES If the field name contains a / a hierarchical key is created. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spaf_delete.hlp���������������������������������������������������0000644�0126641�0000013�00000002045�11440743001�021351� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Delete Fields OCCURRENCE ARB_NT/Species/Info/FIELDS/Delete fields in list ARB_NT/Genes/Info/FIELDS/Delete fields in list DESCRIPTION Allows to delete/hide fields. Choose the 'Delete field in list' item from the 'FIELDS' menu to display the 'DELETE FIELD' window. Select a field from the 'Fields' subwindow and press the HIDE FIELD> (the field and its entry are no longer displayed in the 'SPECIES/GENE INFORMATION' window) or the <DELETE FIELD> (field and its entry are deleted) button. NOTES A protection level has to be set on the 'ARB_NT' window equal or higher than that assigned to the species entry. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spaf_reorder.hlp��������������������������������������������������0000644�0126641�0000013�00000001657�11213220015�021552� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Reorder Fields OCCURRENCE ARB_NT/Species/Info/FIELDS/Reorder fields ARB_NT/Genes/Info/FIELDS/Reorder fields DESCRIPTION Allows changing the order of the fields within the 'DATABASE FIELDS' subwindow of the 'SPECIES/GENE INFORMATION' window. Select fields from the subwindows and press the 'MOVE ..' buttons to change the order of the fields displayed in the 'SPECIES/GENE INFORMATION' window. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spaf_scandb.hlp���������������������������������������������������0000644�0126641�0000013�00000001201�11213220015�021323� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Show all Fields OCCURRENCE ARB_NT/Species/Info/FIELDS/Show all fields DESCRIPTION To display all fields and entries stored in the database, press the 'Show all fields' button of the 'FIELDS' menu. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/spa_rename.hlp����������������������������������������������������0000644�0126641�0000013�00000002024�11213220015�021176� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sp_info.hlp UP gene_info.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Rename Species/Gene OCCURRENCE ARB_NT/Species/Info/SPECIES/Rename ARB_NT/Genes/Info/SPECIES/Rename DESCRIPTION Renames a 'species/gene' (see LINK{glossary.hlp}) entry. Choose the 'Rename' item from the 'SPECIES/GENE' menu to display the 'SPECIES/GENE RENAME' window. Type a name to this window and press <GO> NOTES In case of renaming species the ARB name server ensures that no duplicated names are created. To change the name of 'species/gene' entries, a protection level equal or higher than that assigned to this entry has to be set on the 'ARB_NT' window. EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_count_mrk.hlp��������������������������������������������������0000644�0126641�0000013�00000001135�11213220015�021571� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Count Marked Species OCCURRENCE ARB_NT/Species/Count Marked Species DESCRIPTION Displays the number of marked species in the 'MESSAGE' window. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_del_mrkd.hlp���������������������������������������������������0000644�0126641�0000013�00000001437�11213220015�021356� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Delete Marked Species OCCURRENCE ARB_NT/Species/Delete Marked Species DESCRIPTION Deletes all marked species entries. NOTES To check the number of marked species choose 'Count Marked Species' from the 'ARB_NT/Species' menu. A protection level has to be set on the 'ARB_NT' window equal or higher than that assigned to the species entries. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/species.hlp�������������������������������������������������������0000644�0126641�0000013�00000002211�11213220015�020515� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP genes.hlp #Please insert subtopic references (line starts with keyword SUB) SUB alignment.hlp SUB mark.hlp SUB selected.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE What are Species ? DESCRIPTION One species is one database entry containing many database entries describing the species and one or more sequences (every sequence belongs to a different alignment). A species is not necessarily consistent with a taxonomic species. [Database field name] [Comment] name Unique name for a species max 8 characters long acc Accession number full_name Name for a species strain author journal ali_16s/data a 16s sequence (part of the 16s alignment) ali_23s/data a 23s sequence ali_.../data a ... sequence The description of the alignment, e.g. type or length, is not stored in every species but in an alignment description. ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/species_join.hlp��������������������������������������������������0000644�0126641�0000013�00000003650�11440743001�021553� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Join species OCCURRENCE ARB_NT/Species/Merge Species/Join marked species DESCRIPTION "Join species" merges several similar species into one species. All database fields and the sequences get concatenated. - Mark all species that should be examined for similarity. - Select a database field entry from the list to set a similarity-criterion used to detect candidates for joining (for e.g., full_name). - Check separators for fields and sequences. - Press GO to start. EXAMPLES For example you have a 23s and a 16s database and you want to append the 16s to the 23s sequences than you have to do: - merge the 16s to the 23s sequences. - create a field 'species_name' which holds the real name of the species. That means the species_name of the 16s sequence should be the same as of the 23s seq. Do not use the 'names' field because it is used as a UNIQUE id to the database. - ARB_NT/Species/Merge Species/Join Marked Species and use the field 'species_name'. NOTES There's a second function to merge species: see LINK{merge_species.hlp} There's a special new function to concatenate alignments: see LINK{concatenate.hlp} WARNINGS 'Join marked species' does only merge fields of type STRING, all other fields are skipped (taken from one of the joined species). BUGS No bugs known ����������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_info.hlp�������������������������������������������������������0000644�0126641�0000013�00000010772�11440743001�020541� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP arb_ntree.hlp UP arb_edit.hlp UP mode_info.hlp UP security.hlp UP sp_search.hlp UP Protection.hlp #Please insert subtopic references (line starts with keyword SUB) SUB spaf_reorder.hlp SUB spaf_delete.hlp SUB spaf_create.hlp SUB spaf_scandb.hlp SUB spa_delete.hlp SUB spa_rename.hlp SUB spa_copy.hlp SUB spa_create.hlp SUB sp_sp_2_ext.hlp SUB scandb.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SPECIES INFORMATION OCCURRENCE ARB_NT/<INFO> button: left area, fifth from top ARB_NT/Species/Info ARB_NT/Species/Search DESCRIPTION Displays species information stored within the 'fields' (see LINK{glossary.hlp}). The particular 'species' (see LINK{glossary.hlp}) can be 'marked' or 'unmarked' (see LINK{glossary.hlp}) by pressing the checkbox after the 'Marked?' prompt. Editing of 'field' entries is enabled or prevented by pressing the 'Edit enabled?' checkbox. The entries of a 'field' are modified by choosing it from the 'DATABASE FIELDS' subwindow and modifying the entries displayed in the 'Edit box' subwindow. NOTES The 'SEARCH & QUERY' window can be displayed by pressing the <SEARCH> button. For modification of 'field' entries, a protection level has to be selected from the Protection menu of the main window (ARB_NT/Protection) equal to or higher than that assigned to the selected 'field' Cut and paste of the window system can be used in the 'Edit box' subwindow. This provides is an easy way to export/import sequences. Use the left mouse button to mark (cut is done automatically). Then use the middle mouse button to paste. When you open this window it will always show the information of the current species. That means if you select another species (in ARB_NT or in the editor) this window will follow and display information of the selected species. After clicking on the <DETACH> button once the window will no longer follow the current species automatically. You may open a new information window then (which will follow again). Clicking again on the <DETACH> button will catch up the detached window to the current species. SECTION STANDARD ENTRIES The following database entries have a special meaning in ARB: name unique name for the species (generated by ARB) full_name full species name (generated by the user) acc Accession number (automatically generated by ARB if missing) Entries relevant for DNA->AminoAcid encoding: codon_start contains the base inside the gene at which the first codon starts (valid: 1,2,3) if this entry is missing 1 is assumed transl_table the number of the translation table to be used (1 = Standard, ...) Commonly used database entries (e.g. by import/export): entry EMBL Genebank author RA REFERENCE/AUTHORS title RT REFERENCE/TITLE journal RL REFERENCE/JOURNAL refgrp RG REFERENCE/CONSRTM pubmed_id RX PUBMED REFERENCE/PUBMED medline_id RX MEDLINE REFERENCE/PUBMED version SV VERSION keywd KW KEYWORDS tax OC ORGANISM comment CC COMMENT description DE auth_comm RC nuc_rp RP db_xref DR date DT organelle OG definition DEFINITION EXAMPLES Update the 'full_name' 'Pseudomonas cepacia' to 'Comamonas cepacia': Select FIELDS: 'full_name' Move cursor into the 'Edit box' subwindow Delete: 'Pseudomonas' Type: 'Comamonas' WARNINGS It is recommended to reset the protection level after modifying entries to prevent unintentional modification or loss of data. BUGS No bugs known ������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_invert_mrk.hlp�������������������������������������������������0000644�0126641�0000013�00000001304�11213220015�021746� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Swap Marked and Unmarked Species OCCURRENCE ARB_NT/Species/Swap Marked Species DESCRIPTION Interchanges the status of marked and unmarked species. NOTES To check the number of marked species choose 'Count Marked Species' from the 'ARB_NT/Species' menu. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_mrk_all.hlp����������������������������������������������������0000644�0126641�0000013�00000001220�11213220015�021204� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Mark all Species OCCURRENCE ARB_NT/Species/Mark all Species DESCRIPTION Marks all species entries of the database. NOTES To check the number of marked species choose 'Count Marked Species' from the 'ARB_NT/Species' menu. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_mrk_tree.hlp���������������������������������������������������0000644�0126641�0000013�00000001577�11213220015�021412� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Mark Species in Tree OCCURRENCE ARB_NT/Species/Mark Species in Tree DESCRIPTION Marks all species of the tree currently shown in the tree display area of the 'ARB_NT' window. NOTES To check the number of marked species choose 'Count Marked Species' from the 'ARB_NT/Species' menu. EXAMPLES None WARNINGS All species of the tree are marked not only those visible on the screen (zoom!) Marked species which are not represented in the current tree remain marked! BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_rename.hlp�����������������������������������������������������0000644�0126641�0000013�00000002730�11213220015�021041� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB rename.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Create Names OCCURRENCE ARB_NT/Species/Create names DESCRIPTION Creates automatically unique names (=identifiers) for the species entries in the database. The entries are identified by their accession numbers (public databases). The names are given using the 'full_name' information. Usually, the first three letters are taken from the genus designation, the remaining letters from the species name. If there are duplicated entries (same accession number - different 'full_name'; no accession number - same 'full_name') the different versions are indicated by appending running numbers separated from the 'name' by a dot. Press the 'Rename' button of the 'Species' menu to display the 'AUTORENAME SPECIES' window. NOTES The names are stored with the database. The names can be changed by the user (ARB_NT/Species/Info/SPECIES/Rename). However, the names are protected to prevent to assign the same name to different sequences. It is recommended to assign accession numbers to species entries (sequences) which are not from public databases. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_search.hlp�����������������������������������������������������0000644�0126641�0000013�00000005442�11440743001�021051� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP species.hlp UP mark.hlp #Please insert subtopic references (line starts with keyword SUB) SUB mark_list.hlp SUB unmark_list.hlp SUB del_list.hlp SUB write_field_list.hlp SUB mod_field_list.hlp SUB sel_spec.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search Database for Species OCCURRENCE ARB_NT/Species/search ARB_NT/<species button: 4th broad rectangular button in top area> DESCRIPTION Searches for a (set of) species (not SAIs) that match (don't match) a query or are marked. The database is scanned for 'species' (see 'HELP') which contain (or do not contain) the search string within the specified 'field' (see LINK{glossary.hlp}). The corresponding species and the respective 'field' entries are listed in the 'HIT LIST' subwindow. The number of hits is displayed after the 'Hits:' prompt. Define whether matching or non-matching species should be listed by pressing the appropriate combination of left and right buttons in the top area. When performing multiple searches, define whether the list of 'species' should be replaced by the new results, and whether newly found 'species' should be removed from or appended to the existing list. Select a 'field' from the 'Search Field' subwindow. Type the search string in the 'Search string' subwindow. Press the <SEARCH> button. NOTES see LINK{searching.hlp} for details about searching. see LINK{search_duplicates.hlp} EXAMPLES 1. Search for a species called 'Pseudomonas tolaasii' Select: Search all species that match the query Select search field: 'full_name' Type search expression: 'pseu*tol*' Press: 'SEARCH' 2. Search for all species that are marked: Select: Search all species that are marked Press: 'SEARCH' 3. Search for all species that are marked and for which an entry is present in the field 'reference' Select: Search all species that are marked Press: 'SEARCH' Select: Keep species that match the query Select search field: 'reference' Type search string: '*' (=search existing entry) Press: 'SEARCH' again WARNINGS If the hitlist becomes too long, it will be truncated. Nevertheless all operations work on non-truncated hitlist! Changing the sort order will most likely show different items, because the list gets truncated after it was sorted. BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_sort_fld.hlp���������������������������������������������������0000644�0126641�0000013�00000001737�11213220015�021414� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Sort Species According Database Entries OCCURRENCE ARB_NT/Species/Sort Species According Database Entries DESCRIPTION Arranges the species entries according to species associated field entries. Up to three fields can be specified in a hierarchical order. The arrangement is done in the alphabetical or numerical order of the field entries. Choose the 'Sort Species According Database Entries' item from the 'ARB_NT/Species' menu to display the 'SORT DATABASE' window. Select the fields from the 'Primary, Secondary' and 'Last Sort Key' subwindows. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_sort_phyl.hlp��������������������������������������������������0000644�0126641�0000013�00000001432�11213220015�021613� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Sort Species According to Phylogeny OCCURRENCE ARB_NT/Species/Sort Species According to Phylogeny DESCRIPTION Arranges the species entries in the order of their ranking within the tree currently shown in the tree display area of the 'ARB_NT' window NOTES This order is used by other tools displaying species data (sequence editor, pretty print, export foreign format) EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_sp_2_ext.hlp���������������������������������������������������0000644�0126641�0000013�00000001350�11213220015�021312� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP extended.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Convert Species to SAI OCCURRENCE ARB_NT/Species/Info/SPECIES/Convert to SAI DESCRIPTION Converts the sequence to a SAI entry. Choose the 'Convert to SAI' item from the 'SPECIES' menu. NOTES Converting a species entry to a SAI entry allows to use the sequence as a filter for treeing and other procedures. EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_umrk_all.hlp���������������������������������������������������0000644�0126641�0000013�00000001250�11213220015�021374� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Unmark all Species OCCURRENCE ARB_NT/Species/Unmark all Species DESCRIPTION Unmarks all species entries of the database. NOTES To check the number of marked species choose 'Count Marked Species' from the 'ARB_NT/Species' menu. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sp_umrk_tree.hlp��������������������������������������������������0000644�0126641�0000013�00000001611�11213220015�021564� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB mode_mark.hlp SUB sp_info.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Unmark Species in Tree OCCURRENCE ARB_NT/Species/Unmark Species in Tree DESCRIPTION Unmarks all species of the tree currently shown in the tree display area of the 'ARB_NT' window. NOTES To check the number of marked species choose 'Count Marked Species' from the 'ARB_NT/Species' menu. EXAMPLES None WARNINGS All species of the tree are unmarked not only those visible on the screen (zoom!) Marked species which are not represented in the current tree remain marked! BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/st_ml.hlp���������������������������������������������������������0000644�0126641�0000013�00000005061�11460347216�020227� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} TITLE Column Statistic (Prototype) OCCURRENCE ARB EDITOR DESCRIPTION Highlites unlikely bases in an alignment using the maximum likelihood technique. As soon as the go button is pressed, the selected tree (by ARB_NT) and all marked sequences are read. Then the relative likelihood for each base is calculated and transformed to a number between 0 and 9. This number is translated into a color, using the colors 'RANGE 0 ... RANGE 9'. The higher the number, the more unlikely a particular base. You may improve the output by selecting a valid column statistic, which holds information about column dependent rates and base frequencies. NOTES The colors are not set correctly. Please set different 'CS' colors <Props:Sequences: Colors and Fonts> and save them. Without a powerfull computer only a small number of sequences can be viewed. The program assumes that your tree is correct. WARNINGS This is only a prototype, don't expect something perfect. All sequences which should be analyzed should be marked and in the tree shown by ARB_NT !!!!! BUGS The colors are not set correctly by default. The program can only be started once. SECTION Detailed column statistic This special mode displays 4 rows below the sequence containing the likelihood of each base character. Each row consists of two rows of digits displayed in the same color (which actually is the color normally used for displaying the appropriate base character). The upper of these two rows is the first, the lower the second digit of the likelihood. [You may like to use the cursor to simplify reading] Special character used: ----------------------- SPACE = likelihood is 20% ^ = likelihood is 100% ? = can't determine likelihood for that column Background colors used: ----------------------- Normally the normal background color is used. If a column has a significant likelihood for one base character (or for the sum of two base characters), all four rows are displayed in color 'Range 0'. [significance is 90% (hardcoded) - will be made utilizable soon] The single (or two) base character(s) responsive for the significance will be displayed in colors 'Range 1' to 'Range 8' (the higher the Range-number is, the higher is the likelihood) �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/submission.hlp����������������������������������������������������0000644�0126641�0000013�00000003471�11440743001�021275� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Write to Submission Forms OCCURRENCE ARB_NT/Species/Submission DESCRIPTION First you have to select the species you want to submit (or enter the short name of the species by hand) Then click on 'READ INFO' to extract some needed data from that species. The extracted data will show up in the nearby edit field. Select the form you want to use for submission. Press fill the form. This replaces all search strings (which are defined in 'Your private data' and next to 'READ INFO') with their values and shows the filled-out form in the third textbox. At last enter a name, press save file and send that file by email to some submission address. SECTION FILLING The forms provided with ARB contain fields in the form $(SOME_ID) These fields are replaced by the respective values from 'Your private data' and 'READ INFO'. The format of these sections is search1=replacewith1: search2=replacewith2: search3=replacewith3: For a detailed description refer to LINK{parser.hlp}. NOTES None EXAMPLES None WARNINGS Before submitting you should check the filled-out form for any un-replaced fields. If you find any, define them in the 'Your private data' section. BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/sv_def.hlp��������������������������������������������������������0000644�0126641�0000013�00000001136�11440743001�020344� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Save Defaults OCCURRENCE ARB_NT/File/Save Defaults DESCRIPTION Saves changes of the setups (font, colour, ...) to the file '.arb_prop.ntree' located in the users home directory NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tags.hlp����������������������������������������������������������0000644�0126641�0000013�00000002611�11213220015�020024� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} # @@@ ************* Title of helpfile !! and start of real helpfile ******** TITLE TAGS: Subfields OCCURRENCE ARB_NT: Merge Tools / Modify Database Fields DESCRIPTION Tags are used to subdivide fields into subfields, which often have the same value. E.g. After merging the 16s databases from RDP and DeWachter all species have two full_names: The RDP and DeWachter version which should be equal but which are often not. So we 'TAG' the dewachter database using the tag 'DEW' and the RDP with the tag 'RDP'. Say one species has the full_names escherichia_RDP and escherichia_DEW. Using the tags mechanism the final field will look like this: ' [DEW] escherichia_DEW [RDP] escherichia_RDP'. Tags are sourrounded by brackets and put in front of the corresponding field value. If both subfields have the same value, (like escherichia_coli) fields are merged: ' [DEW,RDP] escherichia_coli' NOTES The Modify Database Fields tools allows to modify only single subfields. If there are no tags used yet, the default tag is taken. EXAMPLES None BUGS Square Brackets in the fields are replaces by '{}' �����������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tbl_boot2len.hlp��������������������������������������������������0000644�0126641�0000013�00000001773�11213220015�021463� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Bootstrap/Branchlength transfer OCCURRENCE ARB_NT/Tree/Modify branches/Bootstraps .. Branchlengths DESCRIPTION 'Bootstrap -> Branchlength' sets the branchlength to bootstrap / 100.0 'Branchlength -> Bootstrap' sets the bootstrap values to branchlength * 100.0 NOTES Consider whether using this functionality really makes sense to you! Use UNDO to go back to your old tree. EXAMPLES None WARNINGS Bootstrap values only contain full numbers. Doing both calculations several times may easily lead to numerical errors. BUGS No bugs known �����./arbsrc_9167/HELP_SOURCE/oldhelp/tbl_justify.hlp���������������������������������������������������0000644�0126641�0000013�00000001246�11213220015�021427� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Justify branchlengths OCCURRENCE ARB_NT/Tree/Modify branches/Justify branchlengths DESCRIPTION Justifies all branches of the current tree. Now all species have an equal phylogenetic distance from the trees root. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tbl_reset.hlp�����������������������������������������������������0000644�0126641�0000013�00000001076�11213220015�021055� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Reset branchlengths OCCURRENCE ARB_NT/Tree/Modify branches/Reset branchlengths DESCRIPTION Resets all branchlengths in the current tree to 0.1 NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tbl_scale.hlp�����������������������������������������������������0000644�0126641�0000013�00000001641�11440743001�021027� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Scale branchlengths OCCURRENCE ARB_NT/Tree/Modify branches/Scale branchlengths DESCRIPTION Scales all branches of the selected tree by a user-provided factor. NOTES Use this when ARB has misinterpreted branchlengths during import of a tree. That happens when one branchlength is slightly above 1.0 (i.e. when the treeing program has an error) in which case ARB has assumed that branchlengths are in range [0 .. 100] and has divided them by 100. EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tgroupall.hlp�����������������������������������������������������0000644�0126641�0000013�00000001453�11213220015�021102� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP mode_group.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB mode_group.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Group All OCCURRENCE ARB_NT/Tree/Group All DESCRIPTION Shows the ranking subtrees (groups of species; see LINK{mode_group.hlp}) of the currently displayed tree as triangles (radial tree) or rectangles (dendrogram). NOTES The lengths of the sides connected by the internal node reflect the longest and shortest overall branch lengths within the subtree. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tgroupcolor.hlp���������������������������������������������������0000644�0126641�0000013�00000001312�11213220015�021442� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB color.hlp SUB markcolor.hlp SUB set_color_of_listed.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Group all but color group OCCURRENCE ARB_NTREE/Tree/Collapse../Group all except color DESCRIPTION This works analog to 'Group all except marked' but it collapses all groups not containing species of the selected color group. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tgroupnmrkd.hlp���������������������������������������������������0000644�0126641�0000013�00000001534�11213220015�021445� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB mode_group.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Group All Except Marked OCCURRENCE ARB_NT/Tree/Group All Except Marked DESCRIPTION Shows the ranking subtrees (groups of species; see LINK{mode_group.hlp}) of the currently displayed tree which do not contain marked species as triangles (radial tree) or rectangles (dendrogram). NOTES The lengths of the sides connected by the internal node reflect the longest and shortest overall branche lengths within the subtree. EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tkeep_mrkd.hlp����������������������������������������������������0000644�0126641�0000013�00000001216�11440743001�021222� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB mode_mark.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Keep Marked OCCURRENCE ARB_NT/Tree/Keep Marked DESCRIPTION Removes all unmarked species and zombies from the currently displayed tree. NOTES None EXAMPLES none WARNINGS !!! No 'undo' function available yet !!! It is recommended to copy the tree before modifying it. BUGS no bugs ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/track_ali_changes.hlp���������������������������������������������0000644�0126641�0000013�00000002302�11213220015�022504� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Track alignment changes OCCURRENCE ARB_NT/Sequences/Track alignment changes DESCRIPTION When called first, a checksum entry is generated for all species with data in the selected alignment. For alignment 'ali_16s' this entry is named 'checksum_ali_16s'. When called again later, the stored checksums are compared with the current checksums. If a checksum change is detected, an entry describing the change is stored in the field 'seq_history'. NOTES The first checksum in the 'checksum_xxx'-entries is calculated with gaps ignored (i.e. it reflects changes to the sequence data), the second checksum is calculate using gaps (i.e. it reflects changes to the alignment of the sequence). EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/trans_anal.hlp����������������������������������������������������0000644�0126641�0000013�00000001502�11440743001�021215� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP sel_fil.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Transversion analysis OCCURRENCE in all filter windows DESCRIPTION There is no special transversion analysis. But using the filter nearly all programs allow to convert DNA/RNA sequences to A/G sequences on the fly, simply by using a filter and setting the <simplify your data> selector to TRANSVERSIONS ONLY NOTES None EXAMPLES None WARNINGS Don't use the Jukes Cantor distance transformation, use Felsenstein instead BUGS maybe/ maybe not ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/translate_dna_2_pro.hlp�������������������������������������������0000644�0126641�0000013�00000007001�11440743001�023013� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB realign_dna.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Translate DNA to Protein OCCURRENCE ARB_NT/Sequence/Translate DESCRIPTION Translates nucleic acid sequences. The alignment of the amino acid sequences is adapted to that of the nucleic acids. The one letter code is used. SECTION AUTOMATIC SELECTION OF TRANSLATION PARAMETERS To allow easy translation of gene sequences you may select to use two entries of the species: - codon_start, which has to be 1, 2 or 3 - transl_table, which has to be a valid genetic code number. Refer to the numbers in the codon table selector to determine which genetic codes are known by ARB. These numbers are the same as the translation table numbers used in the EMBL database. These 2 fields are extracted from genes to gene-species automatically (see LINK{gene_extract.hlp}). If both fields are missing, the selected values for 'Start position' and 'Codon table' are used. If one field is missing an error is raised. SECTION MANUAL SELECTION OF TRANSLATION PARAMETERS 1. Select source and destination alignment from the respective subwindows. 2. Select reading frame by pressing the 'Start position' button and selecting first, second or third absolute position. Alternatively you can position the cursor in ARB_EDIT4 at start of the reading frame. 3. Select the codon table to use. 4. Press the 'TRANSLATE' button. All marked sequences will be translated. Example: DNA: ---UGG...GUAUGGUUA PRO: -Y.LYG SECTION OTHER OPTIONS By checking the 'Save settings' toggle, the used values for the start position and the translation table are written into the corresponding fields ('codon_start' and 'transl_table') of every "translated species". That happens in Manual and Automatic mode. By checking the 'Translate all data' button, the translation insert a 'X' in front of the generated amino acid sequence, if you select starting position 2 or 3 and if there are nucleotides in front of that starting position. Later automatic realignments would fail if that 'X' is missing! WARNING The program does NOT begin at the first three bases, but at the first three alignment positions. That means that all your three letter codons should start at every third position. Example: (### codon for aminoacid # ) DNA: ...111...222...333444 PRO: .1.2.34 DNA: ..111...222....333444 PRO: XXXX.34 // 1 2 are out of sync DNA: ...111...22.2..333444 PRO: .1.XX34 // bad alignment for 2 NOTES 'Mold/Protozoan/Coelenterate Mitochondrial Code' and 'Mycoplasma/Spiroplasma Code' are identical (Genetic code 4). For that reason the latter has been removed. BUGS If the editor is opened the reading frame changes after translation. �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tree2file.hlp�����������������������������������������������������0000644�0126641�0000013�00000004344�11440743001�020763� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP tr_type_radial.hlp UP tr_type_list.hlp UP nt_tree_select.hlp UP treeadm.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp SUB dist.hlp SUB phylo.hlp SUB pars.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Print to File OCCURRENCE ARB_NT/Tree/Print to File DESCRIPTION Exports a ONE page screenshot of the displayed tree to a file. Different file formates can be written. Select: - Language: Press the button after the 'Language' prompt and select from the submenu. - Orientation: Press the button after the 'Orientation' prompt and select from the submenu. - Magnification (%) (Postscript only): Type number to the 'Magnification' subwindow - Print What: Press the button after the 'Orientation' prompt and select from the submenu. Screen = Tree or section of the tree shown in the tree display window Total Tree = Full tree Select a file name from the 'Directories and Files' subwindow or type it to the 'File Name' subwindow. Save and/or edit the data: Press one of the buttons in the last line of the 'Export TREE TO FILE' window - SAVE: exports the data - S & XFIG Writes the data to the specified file and edits the file. (xfig language has to selected) - S & GHOST Writes the data to the specified file and displays the preview. (postscript language has to be selected). The previewer allows tree printing. NOTES The suffix shown or typed in the 'Suffix' subwindow is used as a filter for the displayed file names and is automatically appended to the file name in the 'File Name' subwindow. Ghostview and xfig are public domain software. EXAMPLES None BUGS Magnification and orientation is only used for postscript output. ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tree2prt.hlp������������������������������������������������������0000644�0126641�0000013�00000005646�11213220015�020650� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile strunk******** TITLE Print a Graphic to a Printer OCCURRENCE ARB_NT/Tree/Print Tree ARB_SECEDIT/File/Print structure DESCRIPTION Multi Page Printer Clip at Screen: Show only those graphics that are drawn at the ARB_NT main window Show Handles: Show/Hide root and mark symbols Graphic Size: X * Y size of Graphic in inches. When you change the tree while this window stays open ( eg. zoom in/out ...) press <Get Graphic Size> to update graphic size Magnification: guess what Paper Size: X * Y inches Popular paper sizes in portrait mode (in inch): A4 8.27 * 11.69 A3 11.69 * 16.54 Letter 8 * 11.5 You have to specify the size w/o the border used on your system. For A4 7.5*10.5 is a value working for us - use preview to figure out values fitting your configuration. Orientation: Landscape or Portrait mode Pages: X * Y Number of resulting pages 0.7 2.3 means 1*3 == 3 pages If you modify the X/Y page field, magnification will be adjusted to fit the graphic into the number of pages. Fit to pages: Tests how to fit the printout best onto a given number of pages (sets 'Orientation' and 'Magnification') Destination: Printer: Use print command to print File: Use File Name as destination file name Preview: Print to file and show using gv (ghostview) Overlap: If checked, the printed pages will "slightly" overlap. Note: ARB cannot influence the size of the overlap-region (this seems to be hardcoded in fig2dev), so you may have to change the default to the size used on your system. NOTES The default printer used by ARB can be defined by setting the environment variable PRINTER to your printer name. To change the proportion between font- and graphic-size you have to change the physical zoom factor (of the radial tree/secondary structure). EXAMPLES Print a long list tree: 1. Select tree style in ARB_NT main window 2. Select File/Print tree 3. Select Destination 'Printer' 4. Press PRINT button WARNINGS Printing cannot be stopped BUGS None ������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/treeadm.hlp�������������������������������������������������������0000644�0126641�0000013�00000003005�11213220015�020505� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tr_export.hlp SUB tr_import.hlp SUB tree_cmp.hlp SUB security.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE TREE ADMINISTRATION OCCURRENCE ARB_NT/Tree_Copy_Delete_Import_Export DESCRIPTION Trees stored in the database can be deleted, renamed, copied, exported to ascii file, imported from ascii file. Individual protection can be assigned to the trees. To perform one of the operations 1. select 'Tree_Copy_Delete_Import_Export' from the 'Tree' menu, 2. select a tree from the 'TREE ADMINISTRATION' window 3. press the respective button IMPORT Loads a NEWICK formatted tree. By default only files with suffix '.tree' are shown in the file selection box. If you want to see all, delete the suffix in the upper right corner. EXPORT Save tree in NEWICK format. MOVE NODE INFO Move the internal group labels from one tree to another. If the trees are different, the program will try to guess where to put the inner node labels. NOTES A protection level equal or higher than that assigned to the particular tree has to be set on the 'ARB_NT' window to allow to delete a tree. EXAMPLES NONE WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tree_cmp.hlp������������������������������������������������������0000644�0126641�0000013�00000002404�11213220015�020664� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP treeadm.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Move node info OCCURRENCE ARB_NT/Tree/Copy_Del.../Move Node Info DESCRIPTION Move the internal group labels from one tree to another. If the trees are different, the program will try to guess where to put the inner node labels. If a node cannot be places optimal, then a message is generated. Select the (source) tree with the node labels in the left selection list and the destination tree in the right selection list. If you press 'Copy info' all nodes in the destination tree get deleted and the new nodes are inserted instead. If you press 'Add info' the nodes in the destination tree are renamed ('newname [was: oldname]') and non-existing nodes from the source tree are inserted. If you check 'only info containing marked species' only groups containing at least one marked species are moved to the destination tree. NOTES None EXAMPLES None WARNINGS It's slow.. ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/trees.hlp���������������������������������������������������������0000644�0126641�0000013�00000002173�11213220015�020213� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Trees OCCURRENCE ARB_NT DESCRIPTION A tree consists of two types of 'nodes': - tips or terminal nodes: species connected to exactly one father - inner nodes: hypothetical ancestors connected to one father (and in the binary case to two children). A group_name may be assigned to an inner node; in this case, the node and all its children become a group. <ARB_NT/INFO_MODE/M> There are significant differences between phylogenetic trees and binary trees: phylogenetic trees binary trees: ------------------------------------------------------------------------- unrooted rooted inner nodes have n children all inner nodes have two children Since binary trees are much easier to handle, ARB converts phylogenetic trees to binary trees. �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tr_import.hlp�����������������������������������������������������0000644�0126641�0000013�00000003620�11440743001�021115� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP treeadm.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Load a Tree OCCURRENCE ARB_NT/Tree/Copy\Delete\Export\Import/IMPORT DESCRIPTION Allows to import a tree written in Newick format. Press the 'IMPORT' button to display the 'TREE LOAD' window. Select a tree file from the 'Directories and Files' subwindow or type the file name to the 'FILE NAME' subwindow. Specify a tree name ('tree_*') by typing it to the 'tree_name:' subwindow. Press the 'LOAD' button. NOTES If a suffix is displayed in or typed to the 'SUFFIX' subwindow, only the corresponding file names will be displayed. The suffix is automatically appended to the file name typed to the 'FILE NAME' subwindow. SECTION FORMAT The format recognized by ARB is a slightly enhanced Newick format. Newick format specification: LINK{http://evolution.genetics.washington.edu/phylip/newick_doc.html} ARB enhancement: If the 'internal_node_label' contains 'number' it is interpreted as bootstrap value. If the 'internal_node_label' contains 'number:name' number is interpreted as bootstrap value, and name is interpreted as group name. If the 'internal_node_label' contains 'name' it is interpreted as group name. EXAMPLES None WARNINGS !!! The names associated with terminal nodes have to be consistent with those of the current database.!!! Never give your groups numeric names or the ARB Newick enhancement will not work for you. BUGS No bugs known ����������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tr_jump.hlp�������������������������������������������������������0000644�0126641�0000013�00000001467�11213220015�020556� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB rst_log_zoom.hlp SUB mode.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search & Logical Zoom OCCURRENCE ARB_NT/ETC/<JUMP button> DESCRIPTION Searches the selected species in the tree shown in the tree display area of the 'ARB_NT" window and displays the subtree containing the selected species. NOTES The selected species is indicated by an open square at the respective terminal node of the tree shown in the tree display area of the 'ARB_NT" window. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/trm_boot.hlp������������������������������������������������������0000644�0126641�0000013�00000001100�11213220015�020703� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Remove bootstrap values OCCURRENCE ARB_NT/Tree/Modify branches/Remove bootstraps DESCRIPTION Removes all bootstrap values from the current tree. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/trm_del.hlp�������������������������������������������������������0000644�0126641�0000013�00000001461�11440743001�020525� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Remove Zombies OCCURRENCE ARB_NT/Tree/Remove Zombies DESCRIPTION Removes 'deleted' species from the currently displayed tree. NOTES Nodes and names of species which have been deleted from the database ('ARB_NT/Species/Delete Marked Species'; 'ARB_NT/ Species/Search/DELETE LISTED SPECIES'; 'ARB_NT/Species/ Info/SPECIES/Delete') are maintained in the trees and indicated as deleted (<name>) EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/trm_mrkd.hlp������������������������������������������������������0000644�0126641�0000013�00000001023�11213220015�020701� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Remove Marked OCCURRENCE ARB_NT/Tree/Remove Marked DESCRIPTION Removes all marked species from the currently displayed tree. NOTES None EXAMPLES None BUGS no bugs �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tr_type_irs.hlp���������������������������������������������������0000644�0126641�0000013�00000001673�11440743001�021447� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP nt_tree_select.hlp UP treeadm.hlp UP tree2file.hlp UP tree2prt.hlp UP dist.hlp UP phylo.hlp UP phyl.hlp UP pars.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tr_type_radial.hlp SUB tr_type_list.hlp SUB tr_type_nds.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SHOW IRS DENDROGRAM OCCURRENCE ARB_NT (top area) DESCRIPTION Trees can be displayed as dendrograms or radial trees. Dendrograms have two styles: * The normal style and * the IRS style. To display the IRS style dendrogram press the third small button below the tree_name in the top area. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tr_type_list.hlp��������������������������������������������������0000644�0126641�0000013�00000001454�11213220015�021613� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP nt_tree_select.hlp UP treeadm.hlp UP tree2file.hlp UP tree2prt.hlp UP dist.hlp UP phylo.hlp UP phyl.hlp UP pars.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tr_type_radial.hlp SUB tr_type_irs.hlp SUB tr_type_nds.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SHOW DENDROGRAM OCCURRENCE ARB_NT (top area) DESCRIPTION Trees can be displayed as dendrograms or radial trees. To display a dendrogram press the second small button below the tree_name in the top area. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tr_type_nds.hlp���������������������������������������������������0000644�0126641�0000013�00000002025�11213220015�021417� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP nt_tree_select.hlp UP treeadm.hlp UP tree2file.hlp UP tree2prt.hlp UP dist.hlp UP phylo.hlp UP phyl.hlp UP pars.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tr_type_radial.hlp SUB tr_type_list.hlp SUB tr_type_irs.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Show list of species OCCURRENCE ARB_NT (top area) DESCRIPTION Instead of showing a tree ARB_NT can as well show a simple list of species. To display the list view press the fourth small button below the tree_name in the top area. The default is to view all species. If you click on the button again, you can toggle between viewing all and only viewing marked species. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tr_type_radial.hlp������������������������������������������������0000644�0126641�0000013�00000001622�11213220015�022071� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp UP nt_tree_select.hlp UP treeadm.hlp UP tree2file.hlp UP tree2prt.hlp #UP tree_group.hlp #UP tree_reduce.hlp UP dist.hlp UP phylo.hlp UP phyl.hlp UP pars.hlp #UP tree_desoete.hlp #UP tree_phylip.hlp #UP tree_fastdnaml.hlp #Please insert subtopic references (line starts with keyword SUB) SUB tr_type_list.hlp SUB tr_type_irs.hlp SUB tr_type_nds.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE SHOW RADIAL TREE OCCURRENCE ARB_NT (top area) DESCRIPTION Trees can be displayed as dendrograms or radial trees. To display a radial tree press the first small button below the tree_name in the top area. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/tungroupall.hlp���������������������������������������������������0000644�0126641�0000013�00000001060�11213220015�021437� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB mode_group.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Ungroup All OCCURRENCE ARB_NT/Tree/Ungroup All DESCRIPTION Shows all internal and terminal nodes of the currently displayed tree NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ��������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/undo.hlp����������������������������������������������������������0000644�0126641�0000013�00000003017�11440743001�020043� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Undo/Redo OCCURRENCE ARB_NT ARB_EDIT4 ARB_SECEDIT DESCRIPTION The undo/redo feature works on your database. This means it will only affect actions which change the database. We cannot give you a detailed list of what affects the database (DB) and what does not - just a few examples: - changing tree or sequence data affects DB (you've guessed that!) - changing the cursor position in ARB_EDIT4 does not affect DB - changing dialogs does _sometimes_ affect DB (this depends on whether the value is save in properties or in the DB). Note that there is only _one_ undo/redo queue for all applications together, cause they all work on the same DB! If you e.g. change a tree in ARB and then change a sequence in ARB_EDIT4 you cannot undo your tree change by clicking UNDO in ARB, which would on the contrary undo your sequence change because it was your last DB-change. After undo-ing something be careful: If you change anything (that affects the DB) your current redo-list will be deleted - this means you can no longer redo your undos! NOTES The undo-depth depends on memory usage. EXAMPLES None WARNINGS None BUGS Hopefully no bugs �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/universal_ift.hlp�������������������������������������������������0000644�0126641�0000013�00000002063�11213220015�021741� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE NOTES: universal dna OCCURRENCE ARB_IMPORT DESCRIPTION This input format reader should read every sequence format, but: - removes all other information - maybe adds additional words to the beginning or end of the sequence The final name of the species will be 'spec#', where '#' is a numerical number. You should rename the species as soon as possible. INTERNAL This format scans the file for long strings containing more than fifty percent ACGTUN-. characters. All other words are deleted. NOTES There is no autodetection of this format No additional information is read No alignment is preserved Subsequences with more then 30% ambiguities are removed �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/unmark_list.hlp���������������������������������������������������0000644�0126641�0000013�00000001163�11213220015�021417� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP sp_search.hlp UP gene_search.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE UNMARK LISTED SPECIES/GENES OCCURRENCE ARB_NT/Species/Search: UNMARK LISTED MARK REST ARB_NT/Genes/Search: UNMARK LISTED MARK REST DESCRIPTION Unmarks listed species/genes. NOTES None EXAMPLES None WARNINGS Result list may be truncated. BUGS None �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/user_matrix.hlp���������������������������������������������������0000644�0126641�0000013�00000001766�11213220015�021442� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE User Defined Distance Matrix OCCURRENCE ARB_DIST DESCRIPTION Allows the user to define distances between different bases. E.g. An A-T should get a smaller difference as an A-G, so the corresponding matrix elements should be set to 1.0 and 2.0. NOTE Before the algorithm starts, all matrix values will be multiplied by a factor, so that the average matrix value (except the diagonal) gets a value of one !!! To save a user matrix use <Properties/Save Properties> menu item. BUGS Works only with some distance corrections: none similarity jukes_cantor Works only with dna If enabled only ACGTU/GAPS bases are calculated. ����������./arbsrc_9167/HELP_SOURCE/oldhelp/version.hlp�������������������������������������������������������0000644�0126641�0000013�00000004754�11440743001�020574� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB changes.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Version Info NOTE See LINK{changes.hlp} for info about current versions. SECTION OLD VERSION LIST Version Date Comments (b=beta) 1.0: 1993-94 Openwin Version 2.0.0b June 95 Full Motif Version, Phylip included, Final database but untested Only online help available 2.0.1b July Undo Redo, Phylip running fully in background save/load branch labels to NEWICK Format 2.1.0 November GDE editor can save NEW ALI editor from Niels, Fogt ... a lot of bug fixes: - database fixes - recover from corrupt database ... 2.1.1 January 96 GDE is working now compressing matrices is possible May Save Changes as Parsimony inserts species sorted by sequence length bug fixes: - import by readseq improved 2.1.2 July USA visit. Simple Import Function implemented Perl Interface is running 2.1.3 August PT_server can be updated on the fly 2.2b August Fast Load File implemented (uff a lot of work) bug fixes: Consensus, import sequences new: set protection of database fields 2.2.2b August more bug fixes in Fast Load File 2.3b September much better sequence compression bug fix: probes for groups 2.4b October Tags implemented, Tags can be used to subdivide fields resize of most windows does work 2.5b November Overall Compression Incremental fastdnaml phylips dnapars is running twice as fast now Search - nearest neighbours - Equal Fields December Linux Version January 97 Macros February One major bug fixed in the database system Prototype of the new editor March OSF Alpha Version Bootstrap for Neighbour Joining April Fast Aligner Merge preserves alignment February 99 ARB_EDIT4 now is the default editor. Code for amino-DNA-translation/realignment completely rewritten. ��������������������./arbsrc_9167/HELP_SOURCE/oldhelp/visualizeSAI.hlp��������������������������������������������������0000644�0126641�0000013�00000006375�11440743001�021460� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Visualization of Sequence Associated Information (SAI) in Primary and Secondary Editors. OCCURRENCE In Sequence Editors - Primary Editor (ARB_EDIT4) and Secondary Editor DESCRIPTION This function can be used to Visualize Sequence Associated Information (SAI) in the Primary Structure and Secondary Structure Editor windows. Steps to use VISUALIZATION of SAIs in Primary Structure Editor: 1. Select SAI to be visualized from the SAI list (all SAIs present in the ARB Database). 2. Select the Color Translation Table (CTT) in the CTT list, if found. Or create one by pressing CREATE button. You can also copy the existing CTT and modify. 3. Once CTT is created, define desired colors (RANGE 0 to RANGE 9) for the respective characters in the selected SAI to paint as background of the sequence. 4. You can also change the COLOR RANGE by going to PROPERTIES->CHANGE COLORS AND FONTS menu. 5. Then, choose the visualization options. You can opt to visualize only MARKED species or ALL species in the primary editor. 6. Finally, be sure to check ENABLE VISUALIZATION check box. If Color Translation Tables were defined for each existing/displayed SAIs in the Primary Editor, one can navigate through different SAIs in the editor and visualize the same instantly. To enable this feature, AUTOSELECT SAI should be enabled in Visualize SAI window (VIEW->VISUALIZE SAIs menu). Sequence Associated Information can also be visualized in Secondary Structure Editor. To Visualize SAI in Secondary Structure editor window - Go to PROPERTIES menu, click on CHANGE DISPLAY sub-menu and select the 'Visualize SAI' check box. You can also change the colors used to display SAIs by going to PROPERTIES->CHANGE COLORS AND FONTS menu in the Secondary Editor Window. NOTES If SAIs are to be visualized in Secondary Structure Editor window, one should select SAI, define CTT and check ENABLE VISUALIZATION check box in Primary structure editor window using VISUALIZE SAI function (under VIEW menu in PRIMARY EDITOR). In order to retain the settings of CTT and associated SAIs, one should save the properties by going to PROPERTIES->SAVE PROPERTIES menu in primary editor. Please note that the CTT definitions are stored in the local file (.arb_prop/edit4.arb) and deleting or modifying this file will lose all the information about CTT definitions used for visualization of SAIs for future sessions. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/vn_delete.hlp�����������������������������������������������������0000644�0126641�0000013�00000001310�11213220015�021026� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB vn_import.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Delete Valid Names form Database OCCURRENCE ARB_NT/species/Valid Names/Delete names from DB DESCRIPTION Deletes the database section used for the storage of the list of validly publishe names. This is necessary before a newer version of the list can be imported. NOTES None EXAMPLES None WARNINGS None BUGS No bugs known ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/vn_import.hlp�����������������������������������������������������0000644�0126641�0000013�00000002333�11213220015�021104� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB vn_search.hlp SUB vn_delete.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Import Valid Names from File OCCURRENCE ARB_NT/species/Valid Names/Import names from file DESCRIPTION Imports the valid and accepted names of bacterial species from a text file issued by the DSZM. The file is $ARBHOME/lib/LoVPBN.txt. Import is necessary always once. All the names are then stored in a separate database section. This section has to be removed before a newer version of the names list can be imported. NOTES None EXAMPLES None WARNINGS If you want to update LoVPBN.txt yourself: - download a new version from http://www.dsmz.de/download/bactnom/names.txt - convert line-feed-characters to unix convention (see 'man dos2unix') - overwrite $ARBHOME/lib/LoVPBN.txt - lines above ABIOTROPHA are ignored BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/vn_search.hlp�����������������������������������������������������0000644�0126641�0000013�00000002161�11440743001�021045� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB vn_import.hlp SUB vn_suggest.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Search List of Valid Names Manually OCCURRENCE ARB_NT/species/Valid Names/Search manually DESCRIPTION Allow the user to select a appropriate valid name from the list of available names manually. This is necessary because the automatic suggestion works only for 100% identical entries. A preselection from the list of all available names can be made by giving any number of initial characters. A name selection in the list can then assigned to the current selected species and is written to the fields Valid_Names/NameString, description type then is manually. NOTES Subspecies are currently not taken into account. EXAMPLES None WARNINGS None BUGS No bugs known ���������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/vn_suggest.hlp����������������������������������������������������0000644�0126641�0000013�00000002205�11440743001�021260� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP arb.hlp UP glossary.hlp #Please insert subtopic references (line starts with keyword SUB) SUB vn_import.hlp SUB vn_search.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE Suggest Valid Names OCCURRENCE ARB_NT/species/Valid Names/Suggest Valid Names DESCRIPTION Looks in the list of valid names for perfect matching entry with a species full name. Either a valid name, a heteronym, a homonym or change of name. On matching the the valid name is written to a new database container called Valid_Name in the field NameString. A second field of this container called DescType tells about the species full name's status. I.e. whether it is the valid name, a heteronym, a homonym or misspelled. Three letters indicate species or genus, and three letter the status. NOTES Subspecies are not taken into account yet. EXAMPLES None WARNINGS None BUGS No bugs known �������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/oldhelp/write_field_list.hlp����������������������������������������������0000644�0126641�0000013�00000003151�11440743001�022425� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#Please insert up references in the next lines (line starts with keyword UP) UP sp_search.hlp UP gene_search.hlp UP security.hlp #Please insert subtopic references (line starts with keyword SUB) #SUB subtopic.hlp # Hypertext links in helptext can be added like this: LINK{ref.hlp|http://add|bla@domain} #************* Title of helpfile !! and start of real helpfile ******** TITLE WRITE TO FIELDS OF LISTED SPECIES/GENES OCCURRENCE ARB_NT/Species/Search: WRITE TO FIELDS OF LISTED ARB_NT/Genes/Search: WRITE TO FIELDS OF LISTED DESCRIPTION Writes the same text or integers to the selected fields of all listed species/genes. NOTES A protection level has to be selected from the Protection menu of the main window (ARB_NT/Protection) equal or higher than that assigned to the selected alignment (ARB_NT/ali_*; third broad rectangular button in the upper part of the main window). EXAMPLES 1. Write a date of sequence modification (03.27.95) to the fields 'date' of all listed species and replace former entries of these fields: Select 'Field' by pressing: 'date' Type 'Text or integer': '03.27.95' Press: 'WRITE' 2. Add the initials of the modifying person (OS) to the entries stored in the fields 'date' of all listed species: Select 'Field' by pressing: 'date' Type 'Text or integer': 'OS' Press: 'APPEND' WARNINGS Except for the 'name' field, there are no different protection levels for different fields. Take care not to write to fields which should contain unique entries for the corresponding species/genes such as accession numbers. BUGS No bugs known �����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/quietly.pl����������������������������������������������������������������0000755�0126641�0000013�00000003506�11213220015�016772� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������#!/usr/bin/perl use strict; use warnings; sub die_usage($) { my ($err) = @_; die ("Usage: ./quietly.pl XMLLINT xmlfile\n". " Validates an XML file.\n". " Error messages are converted into readable format\n". " and superfluous output is suppressed\n". "Error: $err"); } my $basedir = $ENV{ARBHOME}; if (not -d $basedir) { die "no such directory '$basedir'"; } $basedir .= '/HELP_SOURCE'; if (not -d $basedir) { die "no such directory '$basedir'"; } my $args = scalar(@ARGV); if ($args != 2) { die_usage "Expected 2 arguments"; } my $tool = $ARGV[0]; my $xmlfile = $ARGV[1]; if ($tool ne 'XMLLINT') { die_usage "Expected 'XMLLINT' as 1st arg (not '$tool')"; } my $tool_command = "xmllint --valid --noout $xmlfile 2>&1 >/dev/null"; my $tool_out = `$tool_command`; if ($? == -1) { die "Failed to execute '$tool_command'" } elsif ($? & 127) { die sprintf("Executed command '$tool_command'\ndied with signal %d", ($? & 127)); } else { my $tool_exitcode = ($? >> 8); if ($tool_exitcode!=0) { my $sep = '------------------------------------------------------------'; # print "$sep\n"; # print "Error executing '$tool_command' (exitcode=$tool_exitcode):\n"; # print "$sep plain:\n"; # print $tool_out; # print "$sep end of plain\n"; use Cwd; my $cwd = getcwd(); my $cwdlen = length($cwd); my $file_prefix = 'file://'.$cwd.'/'; # print "file_prefix='$file_prefix'\n"; my @output = (); while ($tool_out =~ /\n/g) { $tool_out = $'; push @output, $`; } if (length $tool_out) { push @output, $tool_out; } my $last_line = undef; foreach (@output) { if (/^([^:\s]+):([0-9]+):\s*(.*)$/o) { print "$basedir/$1:$2: $3\n"; } else { print "Add.info: '$_'\n"; } } die "$sep $tool failed!\n"; } } ������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������./arbsrc_9167/HELP_SOURCE/to_help.xsl���������������������������������������������������������������0000644�0126641�0000013�00000041532�11213220015�017121� 0����������������������������������������������������������������������������������������������������ustar �arb_build�����������������������coders�����������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������������<?xml version="1.0"?> <!-- <!ENTITY acute "´">--> <!DOCTYPE xsl:stylesheet [ <!ENTITY nbsp " "> <!ENTITY acute "'"> <!ENTITY dotwidth "20"> <!ENTITY dotheight "16"> <!ENTITY tab " "> <!ENTITY br " "> ]> <!-- used to create ARB help in internal format --> <xsl:transform xmlns:xsl="http://www.w3.org/1999/XSL/Transform" version="1.0" > <!-- <xsl:output method="text" encoding='iso-8859-15'/>--> <xsl:output method="text"/> <xsl:param name="myname"/> <xsl:param name="xml_location"/> <!-- includes --> <xsl:include href="date.xsl"/> <xsl:variable name="rootpath"> <xsl:choose> <xsl:when test="string-length(substring-before($myname,'/'))>0">../</xsl:when> <xsl:otherwise></xsl:otherwise> </xsl:choose> </xsl:variable> <xsl:variable name="author">ARB development</xsl:variable> <xsl:variable name="maildomain">arb-home.de</xsl:variable> <xsl:variable name="width" select="75"/> <!--columns in text output (applies only to reflown text)--> <xsl:variable name="lb"><xsl:text>&br;</xsl:text></xsl:variable> <!--used to detect line-breaks in XML--> <!-- =============== --> <!-- warning --> <!-- =============== --> <xsl:template name="error"> <xsl:param name="text" select="'Unknown error'"/> <xsl:message terminate="yes"><xsl:value-of select="$text"/></xsl:message> </xsl:template> <!-- ============ --> <!-- LINKs --> <!-- ============ --> <!--insert-link--> <xsl:template name="insert-link"> <xsl:param name="address"/> <xsl:param name="linktext"/> <xsl:copy-of select="$address"/> <!-- [see: <xsl:value-of select="$address"/><xsl:text>]</xsl:text>--> </xsl:template> <!--insert-email-link--> <xsl:template name="insert-email-link"> <xsl:param name="linktext"/> <xsl:param name="address" select="arb"/> <xsl:param name="subject"/> <xsl:variable name="add"> <xsl:choose> <xsl:when test="string-length(substring-before($address,'@'))>0"><xsl:value-of select="$address"/></xsl:when> <xsl:otherwise><xsl:value-of select="$address"/>@<xsl:value-of select="$maildomain"/></xsl:otherwise> </xsl:choose> </xsl:variable> <xsl:value-of select="$linktext"/> [mailto: <xsl:value-of select="$add"/> <xsl:text> subject: ´</xsl:text> <xsl:value-of select="$subject"/> <xsl:text>´]</xsl:text> </xsl:template> <!-- ======================== --> <!-- link-to-document --> <!-- ======================== --> <xsl:template name="link-to-document"> <xsl:param name="doc"/> <xsl:param name="missing"/> <xsl:param name="type"/> <xsl:choose> <xsl:when test="$type='ps'"> <xsl:text>Postscript: </xsl:text> <xsl:value-of select="$doc"/> </xsl:when> <xsl:when test="$type='pdf'"> <xsl:text>PDF: </xsl:text> <xsl:value-of select="$doc"/> </xsl:when> <xsl:when test="$type='hlp'"> <xsl:variable name="docbase"> <xsl:value-of select="substring-before($doc,'.hlp')"/> </xsl:variable> <xsl:choose> <xsl:when test="$missing='1'"> <xsl:value-of select="concat('Missing Link to ',$docbase,'.hlp')"/> </xsl:when> <xsl:otherwise> <xsl:for-each select="document(concat($xml_location,'/',$docbase,'.xml'))"> <xsl:for-each select="PAGE/TITLE">TOPIC ´<xsl:copy-of select="normalize-space(text())"/>´</xsl:for-each> </xsl:for-each> </xsl:otherwise> </xsl:choose> </xsl:when> <xsl:otherwise> <xsl:message terminate="yes">Illegal document type '<xsl:value-of select="$type"/>' in link-to-document</xsl:message> </xsl:otherwise> </xsl:choose> </xsl:template> <!-- =============== --> <!-- uplinks --> <!-- =============== --> <xsl:template name="help-link"> <xsl:param name="dest"/> <xsl:value-of select="$dest"/> <xsl:text>&br;</xsl:text> </xsl:template> <xsl:template match="UP" mode="uplinks"> <xsl:text>UP </xsl:text> <xsl:call-template name="help-link"> <xsl:with-param name="dest" select="@dest"/> </xsl:call-template> </xsl:template> <xsl:template match="*|text()" mode="uplinks"></xsl:template> <!-- ================ --> <!-- sublinks --> <!-- ================ --> <xsl:template match="SUB" mode="sublinks"> <xsl:text>SUB </xsl:text> <xsl:call-template name="help-link"> <xsl:with-param name="dest" select="@dest"/> </xsl:call-template> </xsl:template> <xsl:template match="*|text()" mode="sublinks"></xsl:template> <xsl:template match="ENTRY|P" mode="calc-indent"> <xsl:text> </xsl:text><!--this defines the indentation per level--> <xsl:apply-templates mode="calc-indent" select=".."/> </xsl:template> <xsl:template match="T|ENUM|LIST" mode="calc-indent"> <xsl:apply-templates mode="calc-indent" select=".."/> </xsl:template> <xsl:template match="SECTION" mode="calc-indent"></xsl:template> <xsl:template name="find-last-space"> <xsl:param name="text"/> <xsl:param name="len" select="string-length($text)"/> <xsl:variable name="beforelen" select="string-length(substring-before($text,' '))"/> <xsl:variable name="after" select="substring-after($text,' ')"/> <xsl:variable name="afterlen" select="string-length($after)"/> <xsl:choose> <xsl:when test="number($afterlen)>0"> <!--sth behind space--> <xsl:variable name="next-space"> <xsl:call-template name="find-last-space"> <xsl:with-param name="text" select="$after"/> <xsl:with-param name="len" select="$afterlen"/> </xsl:call-template> </xsl:variable> <xsl:value-of select="number($beforelen)+1+number($next-space)"/> </xsl:when> <xsl:otherwise> <!--$afterlen=0--> <xsl:choose> <xsl:when test="number($beforelen)=0"> <!--no spaces found--> <xsl:value-of select="'0'"/> </xsl:when> <xsl:otherwise> <!--space at last position--> <xsl:value-of select="number($beforelen)+1"/> </xsl:otherwise> </xsl:choose> </xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template name="indent-preformatted"> <xsl:param name="indent" select="''"/> <xsl:param name="text"/> <xsl:param name="first" select="''"/> <xsl:variable name="line1" select="substring-before($text,$lb)"/> <xsl:variable name="line2" select="substring-after($text,$lb)"/> <xsl:choose> <xsl:when test="concat($line1,$line2)=''"> <xsl:value-of select="concat($indent,$text)"/> <xsl:text>&br;</xsl:text> </xsl:when> <xsl:otherwise> <xsl:if test="string-length($line1)>0"> <!-- <xsl:text>{</xsl:text>--> <xsl:value-of select="concat($indent,$line1)"/> <xsl:text>&br;</xsl:text> <!-- <xsl:text>}</xsl:text>--> </xsl:if> <xsl:if test="string-length($line2)>0"> <xsl:call-template name="indent-preformatted"> <xsl:with-param name="indent" select="$indent"/> <xsl:with-param name="text" select="$line2"/> </xsl:call-template> </xsl:if> </xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template name="reflow-paragraph"> <xsl:param name="indent" select="''"/> <xsl:param name="text"/> <xsl:param name="prefix" select="''"/> <!-- <xsl:text>{</xsl:text><xsl:copy-of select="$text"/><xsl:text>}</xsl:text>--> <xsl:variable name="printlen"><xsl:value-of select="$width - string-length($indent)"/></xsl:variable> <xsl:variable name="textlen"><xsl:value-of select="string-length($text)"/></xsl:variable> <xsl:variable name="this-indent"> <xsl:choose> <xsl:when test="$prefix=''"> <xsl:value-of select="$indent"/> </xsl:when> <xsl:otherwise> <xsl:value-of select="substring($indent,1,string-length($indent) - string-length($prefix))"/> <xsl:value-of select="$prefix"/> </xsl:otherwise> </xsl:choose> </xsl:variable> <xsl:choose> <xsl:when test="number($printlen) >= number($textlen)"> <xsl:value-of select="concat($this-indent,$text)"/> <xsl:text>&br;</xsl:text> </xsl:when> <xsl:otherwise> <xsl:variable name="last-space"> <xsl:call-template name="find-last-space"> <xsl:with-param name="text" select="substring($text,1,$printlen+1)"/> <xsl:with-param name="len" select="$printlen+1"/> </xsl:call-template> </xsl:variable> <xsl:variable name="print"> <xsl:choose> <xsl:when test="$last-space='0'"><xsl:value-of select="substring($text,1,$printlen)"/></xsl:when> <xsl:otherwise><xsl:value-of select="substring($text,1,$last-space)"/></xsl:otherwise> </xsl:choose> </xsl:variable> <xsl:variable name="rest"> <xsl:choose> <xsl:when test="$last-space='0'"><xsl:value-of select="substring($text,$printlen+1)"/></xsl:when> <xsl:otherwise><xsl:value-of select="substring($text,$last-space+1)"/></xsl:otherwise> </xsl:choose> </xsl:variable> <xsl:variable name="restlen"><xsl:value-of select="string-length($rest)"/></xsl:variable> <xsl:value-of select="concat($this-indent,$print)"/> <xsl:text>&br;</xsl:text> <xsl:if test="number($restlen)"> <xsl:call-template name="reflow-paragraph"> <xsl:with-param name="indent" select="$indent"/> <xsl:with-param name="text" select="$rest"/> </xsl:call-template> </xsl:if> </xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template match="ENTRY" mode="calc-prefix"> <xsl:choose> <xsl:when test="name(..)='ENUM'"> <xsl:value-of select="position()"/> <xsl:text>. </xsl:text> </xsl:when> <xsl:when test="name(..)='LIST'"><xsl:text>- </xsl:text></xsl:when> <xsl:otherwise></xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template match="*|text()" mode="calc-prefix"> </xsl:template> <xsl:template match="text()" mode="reflow"> <xsl:call-template name="error"><xsl:with-param name="text">Illegal text in reflow-mode</xsl:with-param></xsl:call-template> </xsl:template> <xsl:template match="text()" mode="preformatted"> <xsl:call-template name="error"><xsl:with-param name="text">Illegal text in preformatted-mode</xsl:with-param></xsl:call-template> </xsl:template> <xsl:template match="LINK" mode="expand-links"> <xsl:choose> <xsl:when test="@type='hlp' or @type='ps' or @type='pdf'"> <xsl:call-template name="link-to-document"> <xsl:with-param name="doc" select="@dest"/> <xsl:with-param name="missing" select="@missing"/> <xsl:with-param name="type" select="@type"/> </xsl:call-template> </xsl:when> <xsl:when test="@type='www'"> <xsl:call-template name="insert-link"> <xsl:with-param name="linktext"><xsl:value-of select="@dest"/></xsl:with-param> <xsl:with-param name="address"><xsl:value-of select="@dest"/></xsl:with-param> </xsl:call-template> </xsl:when> <xsl:when test="@type='email'"> <xsl:call-template name="insert-email-link"> <xsl:with-param name="linktext"><xsl:value-of select="@dest"/></xsl:with-param> <xsl:with-param name="address"><xsl:value-of select="@dest"/></xsl:with-param> <xsl:with-param name="subject" select="concat('Concerning helppage ',$myname)"/> </xsl:call-template> </xsl:when> <xsl:otherwise> <xsl:call-template name="error"><xsl:with-param name="text">Unknown type '<xsl:value-of select="@type"/>'</xsl:with-param></xsl:call-template> </xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template match="text()" mode="expand-links"> <xsl:value-of select="."/> </xsl:template> <xsl:template match="*" mode="expand-links"> <xsl:call-template name="error"><xsl:with-param name="text">Illegal content for expand-links</xsl:with-param></xsl:call-template> </xsl:template> <xsl:template match="T"> <xsl:variable name="indent"><xsl:apply-templates mode="calc-indent" select=".."/></xsl:variable> <xsl:variable name="prefix"><xsl:apply-templates mode="calc-prefix" select="../.."/></xsl:variable> <xsl:variable name="text"><xsl:apply-templates mode="expand-links"/></xsl:variable> <xsl:choose> <xsl:when test="@reflow='1'"> <xsl:call-template name="reflow-paragraph"> <xsl:with-param name="indent" select="$indent"/> <xsl:with-param name="text" select="normalize-space($text)"/> <xsl:with-param name="prefix" select="$prefix"/> </xsl:call-template> <xsl:text>&br;</xsl:text> </xsl:when> <xsl:otherwise> <xsl:call-template name="indent-preformatted"> <xsl:with-param name="indent" select="$indent"/> <xsl:with-param name="text" select="$text"/> <xsl:with-param name="prefix" select="$prefix"/> </xsl:call-template> <xsl:text>&br;</xsl:text> </xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template match="T" mode="disabled"> <xsl:choose> <xsl:when test="@reflow='1'"><xsl:apply-templates mode="reflow"/></xsl:when> <xsl:otherwise><xsl:apply-templates mode="preformatted"/></xsl:otherwise> </xsl:choose> <xsl:text>&br;</xsl:text> </xsl:template> <xsl:template match="ENTRY"><xsl:apply-templates/></xsl:template> <xsl:template match="P"><xsl:apply-templates/></xsl:template> <xsl:template match="ENUM"><xsl:apply-templates/></xsl:template> <xsl:template match="LIST"><xsl:apply-templates/></xsl:template> <xsl:template match="SECTION" mode="main"> <xsl:text>&br;&br;</xsl:text> <xsl:value-of select="@name"/> <xsl:text>&br;&br;</xsl:text> <xsl:apply-templates/> </xsl:template> <!-- ================================ --> <!-- PAGE document wide layout --> <!-- ================================ --> <!-- ============================== --> <!-- insert document header --> <!-- ============================== --> <xsl:template name="header"> <xsl:param name="title" select="'Untitled'"/> <xsl:param name="for"/> <xsl:text xml:space="preserve"># Generated from XML with Sablotron -- Stylesheet by Ralf Westram (ralf@arb-home.de)</xsl:text> <xsl:choose> <xsl:when test="$for='release'"> <xsl:text xml:space="preserve"> # # **** You may edit this file, but the next ARB update will overwrite your changes **** </xsl:text> </xsl:when> <xsl:when test="$for='devel'"> <xsl:text xml:space="preserve"> # # **** DO NOT EDIT (edit in $(ARBHOME)/HELP_SOURCE/oldhelp instead) **** </xsl:text> </xsl:when> <xsl:otherwise> <xsl:call-template name="error"><xsl:with-param name="text">Illegal content in edit_warning</xsl:with-param></xsl:call-template> </xsl:otherwise> </xsl:choose> </xsl:template> <xsl:template match="PAGE"> <xsl:variable name="title"> <xsl:for-each select="TITLE"> <xsl:value-of select="text()"/> </xsl:for-each> </xsl:variable> <xsl:call-template name="header"> <xsl:with-param name="title" select="$title"/> <xsl:with-param name="for" select="@edit_warning"/> </xsl:call-template># # This page was converted by arb_help2xml and may look strange. # If you think it's really bad, please 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    ./arbsrc_9167/ISLAND_HOPPING/align.c0000644012664100000130000006212711440743000016534 0ustar arb_buildcoders#include #include #include #include #include "memory.h" #include "trnsprob.h" #define EXTERN #include "i-hopper.h" #define MSIZE 512 #define ESIZE 36 /*============================================================================*/ #define MINDIST 0.001 #define MAXDIST 1.000 #define MAXGAP 16 #define NOWHERE (MAXGAP+1) #define MINLENGTH 5 typedef struct score { double score; int up,down; } Score; typedef struct fragment { int beginX,beginY,length; struct fragment *next; } Fragment; typedef struct island { double score,upperScore,lowerScore; int beginX,beginY,endX,endY; int hasUpper,hasLower; struct island *next,*nextBeginIndex,*nextEndIndex,*nextSelected,*upper,*lower; struct fragment *fragments; } Island; static double **GP,**GS; /* #define TEST */ #ifdef TEST #define TELEN 193 static double TE[TELEN][TELEN]; static int te=TRUE; #endif static Score **U; static double Thres,LogThres,Supp,GapA,GapB,GapC,expectedScore,**GE; static Island *Z,**ZB,**ZE; /*============================================================================*/ static void initScore(double ***pP,double ***pS) { *pP=newDoubleMatrix(N,N); *pS=newDoubleMatrix(N1,N1); } /*............................................................................*/ static void uninitScore(double ***pP,double ***pS) { freeMatrix(pS); freeMatrix(pP); } /*............................................................................*/ static void updateScore( double **P,double **S, double F[N],double X[6],double dist ) { int i,j; double ***SS,s,smin,smax; P[T][T]=F[T]*F[T]; P[T][C]=F[T]*F[C]; P[T][A]=F[T]*F[A]; P[T][G]=F[T]*F[G]; P[C][T]=F[C]*F[T]; P[C][C]=F[C]*F[C]; P[C][A]=F[C]*F[A]; P[C][G]=F[C]*F[G]; P[A][T]=F[A]*F[T]; P[A][C]=F[A]*F[C]; P[A][A]=F[A]*F[A]; P[A][G]=F[A]*F[G]; P[G][T]=F[G]*F[T]; P[G][C]=F[G]*F[C]; P[G][A]=F[G]*F[A]; P[G][G]=F[G]*F[G]; initTrnsprob(&SS); updateTrnsprob(SS,F,X,REV); getTrnsprob(S,SS,dist); uninitTrnsprob(&SS); S[T][T]/=F[T]; S[T][C]/=F[C]; S[T][A]/=F[A]; S[T][G]/=F[G]; S[C][T]/=F[T]; S[C][C]/=F[C]; S[C][A]/=F[A]; S[C][G]/=F[G]; S[A][T]/=F[T]; S[A][C]/=F[C]; S[A][A]/=F[A]; S[A][G]/=F[G]; S[G][T]/=F[T]; S[G][C]/=F[C]; S[G][A]/=F[A]; S[G][G]/=F[G]; for(i=0;ismax) smax=s; } } /*============================================================================*/ static void initEntropy(double ***EE) { *EE=newDoubleMatrix(ESIZE+1,MSIZE); } /*............................................................................*/ static void uninitEntropy(double ***EE) { freeMatrix(EE); } /*............................................................................*/ static double getEntropy(double **E,double m,int l) { int k,ia,ib,ja,jb; double *M,mmin,idm,la,lb,ma,mb; M=E[0]; ma=0.5*(M[1]-M[0]); mmin=M[0]-ma; idm=0.5/ma; k=floor((m-mmin)*idm); if(k>=MSIZE) k=MSIZE-1; else if(k<0) k=0; if(k==0) {ja=k; jb=k+1;} else if(k==MSIZE-1) {ja=k-1; jb=k; } else if(m>M[k]) {ja=k; jb=k+1;} else {ja=k-1; jb=k; } ma=M[ja]; mb=M[jb]; if(l<=16) { return( ((mb-m)*E[l][ja]+(m-ma)*E[l][jb])/(mb-ma) ); } else { if(l<=32) { if(l<=18) {la=16; lb=18; ia=16; ib=17;} else if(l<=20) {la=18; lb=20; ia=17; ib=18;} else if(l<=22) {la=20; lb=22; ia=18; ib=19;} else if(l<=24) {la=22; lb=24; ia=19; ib=20;} else if(l<=26) {la=24; lb=26; ia=20; ib=21;} else if(l<=28) {la=26; lb=28; ia=21; ib=22;} else if(l<=30) {la=28; lb=30; ia=22; ib=23;} else if(l<=32) {la=30; lb=32; ia=23; ib=24;} } else if(l<=64) { if(l<=36) {la=32; lb=36; ia=24; ib=25;} else if(l<=40) {la=36; lb=40; ia=25; ib=26;} else if(l<=44) {la=40; lb=44; ia=26; ib=27;} else if(l<=48) {la=44; lb=48; ia=27; ib=28;} else if(l<=52) {la=48; lb=52; ia=28; ib=29;} else if(l<=56) {la=52; lb=56; ia=29; ib=30;} else if(l<=60) {la=56; lb=60; ia=30; ib=31;} else if(l<=64) {la=60; lb=64; ia=31; ib=32;} } else { if(l<= 128) {la= 64; lb= 128; ia=32; ib=33;} else if(l<= 256) {la= 128; lb= 256; ia=33; ib=34;} else if(l<= 512) {la= 256; lb= 512; ia=34; ib=35;} else {la= 512; lb=1024; ia=35; ib=36;} } return( ( +(lb-l)*((mb-m)*E[ia][ja]+(m-ma)*E[ia][jb]) +(l-la)*((mb-m)*E[ib][ja]+(m-ma)*E[ib][jb]) ) /((lb-la)*(mb-ma)) ); } } /*............................................................................*/ static void updateEntropy(double **P,double **S,double **E) { int i,j,k,l,ll,lll; double *M,m,dm,idm,mmin,mmax; mmin=0.; mmax=0.; for(i=0;immax) mmax=m;} dm=(mmax-mmin)/MSIZE; idm=1./dm; M=E[0]; for(i=0,m=mmin+0.5*dm;i=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[1][k]+=P[i][j]; } for(k=0;k=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[2][k]+=E[1][i]*E[1][j]; } for(ll=2,lll=1;ll<=8;ll++,lll++) { l=ll+lll; for(k=0;k=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[l][k]+=E[ll][i]*E[lll][j]; } l=ll+ll; for(k=0;k=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[l][k]+=E[ll][i]*E[ll][j]; } } for(l=17,ll=l-8;l<=24;l++,ll++) { for(k=0;k=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[l][k]+=E[ll][i]*E[ll][j]; } } for(l=25,ll=l-8;l<=32;l++,ll++) { for(k=0;k=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[l][k]+=E[ll][i]*E[ll][j]; } } for(l=33,ll=l-1;l<=36;l++,ll++) { for(k=0;k=MSIZE) k=MSIZE-1; else if(k<0) k=0; E[l][k]+=E[ll][i]*E[ll][j]; } } for(l=1;l<=ESIZE;l++) {m=0.; for(k=MSIZE-1;k>=0;k--) m=E[l][k]+=m;} for(i=1;i<=ESIZE;i++) for(j=0;jREAL_MIN)?log(E[i][j]):LOG_REAL_MIN; { FILE *fp; int nbp; double m0,dm2; nbp=22; fp=fopen("distrib.txt","wt"); fprintf(fp,"\n(* score per basepair distribution for gap-less random path 1=Smin 100=Smax *)\nListPlot3D[({"); m0=M[0]; dm2=(M[MSIZE-1]-M[0])/99.; for(i=1;i<=nbp;i++) { fprintf(fp,"\n{%f",exp(getEntropy(E,m0,i))); for(j=1;j<=99;j++) fprintf(fp,",%f",exp(getEntropy(E,m0+dm2*j,i))); fprintf(fp,"}"); if(i{{1,100},{1,%d},{0,1}},ViewPoint->{1.5,1.1,0.8}]\n",nbp); fclose(fp); } } /*============================================================================*/ static Island *newIsland(char *X,char *Y,int i,int j,int d) { Island *p; Fragment *f,**ff,*L; int k,ii,jj,iii,jjj,l; double s; p=newBlock(sizeof(Island)); ii=i; jj=j; l=0; s=0.; if(d>0) { ff=&L; for(;;) { s+=GS[(int)X[ii]][(int)Y[jj]]; if(++l==1) {iii=ii; jjj=jj;} k=U[ii][jj].up; if(k) { f=newBlock(sizeof(Fragment)); f->beginX=iii; f->beginY=jjj; f->length=l; l=0; *ff=f; ff=&f->next; } if(k==NOWHERE) break; ii++; jj++; if(k>=0) ii+=k; else jj-=k; } *ff=NULL; p->beginX= i; p->beginY= j; p->endX =ii; p->endY =jj; } else { L=NULL; for(;;) { s+=GS[(int)X[ii]][(int)Y[jj]]; if(++l==1) {iii=ii; jjj=jj;} k=U[ii][jj].down; if(k) { f=newBlock(sizeof(Fragment)); f->beginX=iii-l+1; f->beginY=jjj-l+1; f->length=l; l=0; f->next=L; L=f; } if(k==NOWHERE) break; ii--; jj--; if(k>=0) ii-=k; else jj+=k; } p->beginX=ii; p->beginY=jj; p->endX = i; p->endY = j; } p->fragments=L; p->score=s+GapC*expectedScore; return(p); } /*............................................................................*/ static void freeIsland(Island **pp) { Island *p; Fragment *q; p=*pp; while(p->fragments) {q=p->fragments; p->fragments=q->next; freeBlock(&q);} freeBlock(pp); } /*............................................................................*/ static void registerIsland(Island *f) { Island **pli; f->next=Z; Z=f; pli=&ZB[f->beginX+f->beginY]; f->nextBeginIndex=*pli; *pli=f; pli=&ZE[f->endX+f->endY]; f->nextEndIndex=*pli; *pli=f; } /*............................................................................*/ static Island *selectUpperIslands(Island *f,int nX,int nY,int *incomplete) { int i,j; Island *l,*g; l=NULL; for(i=f->endX+f->endY+2,j=nX+nY-2;i<=j;i++) for(g=ZB[i];g;g=g->nextBeginIndex) if(g->beginX>f->endX&&g->beginY>f->endY) { if(!g->hasUpper) {*incomplete=TRUE; return(NULL);} g->nextSelected=l; l=g; } *incomplete=FALSE; return(l); } /*............................................................................*/ static Island *selectLowerIslands(Island *f,int *incomplete) { int i; Island *l,*g; l=NULL; for(i=f->beginX+f->beginY-2;i>=0;i--) for(g=ZE[i];g;g=g->nextEndIndex) if(g->endXbeginX&&g->endYbeginY) { if(!g->hasLower) {*incomplete=TRUE; return(NULL);} g->nextSelected=l; l=g; } *incomplete=FALSE; return(l); } /*............................................................................*/ static int areEqual(Island *a,Island *b) { Fragment *fa,*fb; if( a->beginX != b->beginX ) return(FALSE); if( a->beginY != b->beginY ) return(FALSE); if( a->endX != b->endX ) return(FALSE); if( a->endY != b->endY ) return(FALSE); fa=a->fragments; fb=b->fragments; while(fa&&fb) { if( fa->beginX != fb->beginX ) return(FALSE); if( fa->beginY != fb->beginY ) return(FALSE); if( fa->length != fb->length ) return(FALSE); fa=fa->next; fb=fb->next; } if(fa||fb) return(FALSE); return(TRUE); } /*............................................................................*/ static int isUnique(Island *f) { Island *v; for(v=ZB[f->beginX+f->beginY];v;v=v->nextBeginIndex) if(areEqual(f,v)) return(FALSE); return(TRUE); } /*............................................................................*/ static int isSignificant(Island *f) { int l; Fragment *q; l=0; for(q=f->fragments;q;q=q->next) l+=q->length; if(lscore/l,l)<=LogThres) return(TRUE); return(FALSE); } /*............................................................................*/ int I,J,K; /*....*/ static void drawLowerPath(Island *f,int nX,char *X,char *XX,int nY,char *Y,char *YY) { int k; Fragment *q; if(f->lower) drawLowerPath(f->lower,nX,X,XX,nY,Y,YY); for(q=f->fragments;q;q=q->next) { while(IbeginX) {XX[K]=decodeBase(X[I++]); YY[K]='-'; K++;} while(JbeginY) {XX[K]='-'; YY[K]=decodeBase(Y[J++]); K++;} for(k=0;klength;k++) {XX[K]=decodeBase(X[I++]); YY[K]=decodeBase(Y[J++]); K++;} } } /*....*/ static void drawPath(Island *f,int nX,char *X,char *XX,int nY,char *Y,char *YY) { int k; Island *p; Fragment *q; I=0; J=0; K=0; if(f->lower) drawLowerPath(f->lower,nX,X,XX,nY,Y,YY); for(p=f;p;p=p->upper) for(q=p->fragments;q;q=q->next) { while(IbeginX) {XX[K]=decodeBase(X[I++]); YY[K]='-'; K++;} while(JbeginY) {XX[K]='-'; YY[K]=decodeBase(Y[J++]); K++;} for(k=0;klength;k++) {XX[K]=decodeBase(X[I++]); YY[K]=decodeBase(Y[J++]); K++;} } while(Iscore; #endif for(q=f->fragments;q;q=q->next) { for(i=q->beginX,j=q->beginY,k=0;klength;k++,i++,j++) { #ifdef TEST if( i>=0&&i=0&&jTE[i][j] */ ) { TE[i][j]=score; /* TE[i][j]=-1.; */ } #endif } } } /*============================================================================*/ static double secS(int i,int j,char X[],int secX[],char Y[],int secY[]) { if(secX[i]||secY[j]) { if(secX[i]&&secY[j]) return(GS[(int)X[i]][(int)Y[j]]-Supp*expectedScore); return(-1.e34); } return(GS[(int)X[i]][(int)Y[j]]); } /*============================================================================*/ static void AlignTwo( int nX,char X[],int secX[],char XX[],int nY,char Y[],int secY[],char YY[] ) { int r,changed,i,j,k,ii,jj,startx,stopx,starty,stopy; double s,ss; Island *z,*zz,*zzz,*best; /*OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO*/ Z=NULL; for(i=nX+nY-2;i>=0;i--) {ZB[i]=NULL; ZE[i]=NULL;} startx=0; stopx=nX-1; for(i=startx,ii=i-1;i<=stopx;i++,ii++) { starty=0; stopy=nY-1; for(j=starty,jj=j-1;j<=stopy;j++,jj++) { s=0.; r=NOWHERE; if(i>startx&&j>starty) { ss=U[ii][jj].score; if(ss>s) {s=ss; r=0;} for(k=1;k<=MAXGAP&&ii-k>=0;k++) { ss=U[ii-k][jj].score+(GapA+k*GapB)*expectedScore; if(ss>s) {s=ss; r= k;} } for(k=1;k<=MAXGAP&&jj-k>=0;k++) { ss=U[ii][jj-k].score+(GapA+k*GapB)*expectedScore; if(ss>s) {s=ss; r=-k;} } } s+=secS(i,j,X,secX,Y,secY); if(s<0.) {s=0.; r=NOWHERE;} U[i][j].score=s; U[i][j].down=r; } } startx=0; stopx=nX-1; for(i=startx;i<=stopx;i++) { starty=0; stopy=nY-1; for(j=starty;j<=stopy;j++) { ii=i; jj=j; s=U[ii][jj].score; U[ii][jj].up=NOWHERE; for(;;) { k=U[ii][jj].down; if(k==NOWHERE) break; ii--; jj--; if(k>=0) ii-=k; else jj+=k; if(U[ii][jj].score>s) break; U[ii][jj].score=s; U[ii][jj].up=k; } } } startx=0; stopx=nX-1; for(i=startx;i<=stopx;i++) { starty=0; stopy=nY-1; for(j=starty;j<=stopy;j++) { if(U[i][j].down!=NOWHERE) continue; if(U[i][j].up==NOWHERE) continue; z=newIsland(X,Y,i,j,1); if(isUnique(z)&&isSignificant(z)) registerIsland(z); else freeIsland(&z); } } /*----*/ startx=nX-1; stopx=0; for(i=startx,ii=i+1;i>=stopx;i--,ii--) { starty=nY-1; stopy=0; for(j=starty,jj=j+1;j>=stopy;j--,jj--) { s=0.; r=NOWHERE; if(is) {s=ss; r=0;} for(k=1;k<=MAXGAP&&ii+ks) {s=ss; r= k;} } for(k=1;k<=MAXGAP&&jj+ks) {s=ss; r=-k;} } } s+=secS(i,j,X,secX,Y,secY); if(s<0.) {s=0.; r=NOWHERE;} U[i][j].score=s; U[i][j].up=r; } } startx=nX-1; stopx=0; for(i=startx;i>=stopx;i--) { starty=nY-1; stopy=0; for(j=starty;j>=stopy;j--) { ii=i; jj=j; s=U[ii][jj].score; U[ii][jj].down=NOWHERE; for(;;) { k=U[ii][jj].up; if(k==NOWHERE) break; ii++; jj++; if(k>=0) ii+=k; else jj-=k; if(U[ii][jj].score>s) break; U[ii][jj].score=s; U[ii][jj].down=k; } } } startx=nX-1; stopx=0; for(i=startx;i>=stopx;i--) { starty=nY-1; stopy=0; for(j=starty;j>=stopy;j--) { if(U[i][j].up!=NOWHERE) continue; if(U[i][j].down==NOWHERE) continue; z=newIsland(X,Y,i,j,-1); if(isUnique(z)&&isSignificant(z)) registerIsland(z); else freeIsland(&z); } } /*******************/ for(z=Z;z;z=z->next) {z->hasUpper=FALSE; z->upper=NULL; z->upperScore=0.;} do { changed=FALSE; for(z=Z;z;z=z->next) { if(z->hasUpper) continue; zz=selectUpperIslands(z,nX,nY,&i); if(i) continue; if(zz) { s=0.; best=NULL; for(zzz=zz;zzz;zzz=zzz->nextSelected) { if(zzz->upperScore+zzz->score>s) {s=zzz->upperScore+zzz->score; best=zzz;} } if(best) {z->upper=best; z->upperScore=s;} } z->hasUpper=TRUE; changed=TRUE; } } while(changed); for(z=Z;z;z=z->next) {z->hasLower=FALSE; z->lower=NULL; z->lowerScore=0.;} do { changed=FALSE; for(z=Z;z;z=z->next) { if(z->hasLower) continue; zz=selectLowerIslands(z,&i); if(i) continue; if(zz) { s=0.; best=NULL; for(zzz=zz;zzz;zzz=zzz->nextSelected) { if(zzz->lowerScore+zzz->score>s) {s=zzz->lowerScore+zzz->score; best=zzz;} } if(best) {z->lower=best; z->lowerScore=s;} } z->hasLower=TRUE; changed=TRUE; } } while(changed); /*******************/ s=0.; best=NULL; for(z=Z;z;z=z->next) { ss=z->score+z->upperScore+z->lowerScore; if(ss>s) {best=z; s=ss;} } #ifdef TEST for(i=0;iupper;z;z=z->upper) drawIsland(z); for(z=best->lower;z;z=z->lower) drawIsland(z); } /*OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO*/ #ifdef TEST if(te) {FILE *fp; te=FALSE; fp=fopen("subst.txt","wt"); fprintf(fp,"\n(* substitution matrix *)\nListDensityPlot[{"); for(i=0;inext) drawIsland(z); fp=fopen("islands.txt","w"); fprintf(fp,"\n(* smith-waterman-islands *)\n{"); for(i=0;inext; freeIsland(&z);} } /*............................................................................*/ void Align( int nX,char X[],int secX[],char **XX,int nY,char Y[],int secY[],char **YY, int freqs,double fT,double fC,double fA,double fG, double rTC,double rTA,double rTG,double rCA,double rCG,double rAG, double dist,double supp,double gapA,double gapB,double gapC,double thres ) { double F[N],R[6]; char *s; int i,j,maxlen; *XX = newBlock((nX+nY+1)*sizeof(char)); *YY = newBlock((nX+nY+1)*sizeof(char)); Supp=supp; GapA=gapA; GapB=gapB; GapC=gapC; Thres=thres; if(dist>MAXDIST||dist1.||Thres<=0.) {Error="Bad argument"; return;} LogThres=log(Thres); if(freqs) { if(fT<=0.||fC<=0.||fA<=0.||fG<=0.) {Error="Bad argument"; return;} } else { fT=0.; fC=0.; fA=0.; fG=0.; for(s=X;*s;s++) { switch(*s) { case 'T': fT++; break; case 'C': fC++; break; case 'A': fA++; break; case 'G': fG++; break; default: fT+=0.25; fC+=0.25; fA+=0.25; fG+=0.25; } } for(s=Y;*s;s++) { switch(*s) { case 'T': fT++; break; case 'C': fC++; break; case 'A': fA++; break; case 'G': fG++; break; default: fT+=0.25; fC+=0.25; fA+=0.25; fG+=0.25; } } } if(rTC<=0.||rTA<=0.||rTG<=0.||rCA<=0.||rCG<=0.||rAG<=0.) {Error="Bad argument"; return;} normalizeBaseFreqs(F,fT,fC,fA,fG); normalizeRateParams(R,rTC,rTA,rTG,rCA,rCG,rAG); maxlen=nX>nY?nX:nY; for(i=0;it=ELEMENT,(x)->r=ref) #define MakeList(x) ((x)->t=ELEMENT,(x)->r=List_R) #define MakeInteger(x,val) ((x)->t=INTEGER,(x)->u.v.i=val) #define Is(x,ref) ((x)->t==ELEMENT&&(x)->r==ref) #define IsList(x) ((x)->t==ELEMENT&&(x)->r==List_R) #define IsInteger(x) ((x)->t==INTEGER) #define IsReal(x) ((x)->t==REAL) #define IsNumber(x) ((x)->t==INTEGER||(x)->t==REAL) #define Is0(x) ((x)->t==INTEGER&&(x)->u.v.i==0||(x)->t==REAL&&(x)->u.v.r==0.) #define Is1(x) ((x)->t==INTEGER&&(x)->u.v.i==1||(x)->t==REAL&&(x)->u.v.r==1.) #define IsMinus1(x) ((x)->t==INTEGER&&(x)->u.v.i==-1||(x)->t==REAL&&(x)->u.v.r==-1.) #define IsPositiveNumber(x) ((x)->t==INTEGER&&(x)->u.v.i>0||(x)->t==REAL&&(x)->u.v.r>0.) #define IsNegativeNumber(x) ((x)->t==INTEGER&&(x)->u.v.i<0||(x)->t==REAL&&(x)->u.v.r<0.) #define IsPositiveInteger(x) ((x)->t==INTEGER&&(x)->u.v.i>0) #define IsNegativeInteger(x) ((x)->t==INTEGER&&(x)->u.v.i<0) #define Has1Arg(x) ((x)->l&&!(x)->l->n) #define Has2Args(x) ((x)->l&&(x)->l->n&&!(x)->l->n->n) ./arbsrc_9167/ISLAND_HOPPING/i-hopper.c0000644012664100000130000001724411440743000017165 0ustar arb_buildcoders#include #include #include #include "memory.h" #include "i-hopper.h" /*============================================================================*/ #ifndef ARB int main(void) { Error=NULL; fprintf(stdout,"\nAligning ..."); { /* char X[]="CGACGATCCCTAGCTGGTCTGAGAGGATGACCAGCCACACTGGAACTGAGACACGGTCCAGACTCCTACGGGAGGCAGCAGTGGGGAATATTGCACAACTAGCTGGTCTGAGAGGGATGACCAGCCACACTGGTGCACTAGCTGGTCGAGAGGATGACCAGCCACACTGGTGGGCGCAAGCCTGATGCAGCCA"; int secX[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,}; char Y[]="CGACGATCCCTAGCTGGTCTGAGAGGATGACCAGCCACACTGGAACTGAGACACGGTCCAGACTCCTACGGGAGGCAGCAGTGGGGAATATTGCACAACTAGCTGGTCTGAGAGGGATGACCAGCCACACTGGTGCACTAGCTGGTCGAGAGGATGACCAGCCACACTGGTGGGCGCAAGCCTGATGCAGCCA"; int secY[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,}; */ char X[]="CTTCGCTTTGGATCCTTACTAGGATCTGCCTAGTACATTCAAATCTTAACAGGCTTATTTCTGTGTGGGTGTGTGTGTGAATACATTACACATCAGACACATCAACTG"; int secX[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0}; char Y[]="GGTCTTTATTAGGAATATGCCTAATTATTCAAATTCTCACCGGACTATTCACACCCCAACACACACACACAATACACTACACCTCTGACACATTCACCGCCTT"; int secY[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0}; /* char X[]="GCTTACACATGCAAGTCGAACGGCAGCACGGGAGCTTGCTCCTGGTGGCGAGTGGCGAACGGGTGAGTAATACATCGGAACGTACCCAGGAGTGGGGGATAACGTAGCGAAAGTTACGCTAATACCGCATATTCTGTGAGCAGGAAAGCGGGGGATCGCAAGACCTCGCGCTCTTGGAGCGGCCGATGTCGGATTAGCTAGTTGGTGAGGTAAAAGCTCACCAAGGCGACGATCCGTAGCAGGTCTGAGAGGATGATCTGCCACACTGGGACTGAGACACGGCCCAGACTCCTACGGGAGGCAGCAGTGGGGAATTTTGGACAATGGGGGCAACCCTGATCCAGCCATGCCGCGTGAGTGAAGAAGGCCTTCGGGTTGTAAAGCTCTTTCGGCGGGGAAGAAATGGCAACGGCTAATATCCGTTGTTGATGACGGTACCCGCATAAGAAGCACCGGCTAACTACGTGCCAGCAGCCGCGGTAATACGTAGGGTGCGAGCGTTAATCGGAATTACTGGGCGTAAAGCGTGCGCAGGCGGTTTCGTAAGACAGACGTGAAATCCCCGGGCTCAACCTGGGAACTGCGTTTGTGACTGCGAGGCTAGAGTACGGCAGAGGGGGGTAGAATTCCACGTGTAGCAGTGAAAT"; int secX[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0}; char Y[]="GATTGAACGCTGTCCAAGTACTTGACACATGCTAATCGAACGACTAATTAGTTTTAACTAACTAAGTAGTAGTGGTGTACAGGTGAGTAAAAGATAATTTGGCTACCTTAAAGTAAGGGGAAAATCCCTTATAAACAAAAGGAAAATAAAAGTCCGCTTTAAGATGTTAATCTTTATCTCGGGGAGTAGTAGGAAAGGTAATGACTTTTCTAGCTAAAATCCGTAGTCGTGACTGAGAGGTCGATCGACCACATTGGGTCTGAAAAAACCCCAATGCGTATTAGTACAGCAGTGAGGAATATTGGTCAATGGCCGAAAGGCTGAACCAGTAACTTGGAAGAATGTAAGTGTATTATTGTAATACAATAACGATTAACTCGTATAAAATTCTAAATAGGATAATGATAATGACAATTTCCTATTTATAAGTCTTGACCAAATTACGTGCCAGCAGTCGCGGTAATACGTAGAAGACTAGTGTTAGTCATCTTTATTAGGTTTAAAGGGTACCTAGACGGTAAATTAAACTCTAAATGAGTACTTTTTTACTAGAGTTTTATGTGAGAAGGAAGAATTTCTGGAGTAGGGATGAAATACTTTGATACCAGAAGGACTGGTAACGGCGAAGGCATCCTTCTATGTAAAAACTGACGTTGAGGGACGAAGGCTTGGGTAGCAATAAGGATTAGATACCCTAGTAGTCCAAGCAGAAAAT"; int secY[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0}; */ int freqs=FALSE; double fT=0.25; double fC=0.25; double fA=0.25; double fG=0.25; double rTC=4.0; double rTA=1.0; double rTG=1.0; double rCA=1.0; double rCG=1.0; double rAG=4.0; double dist=0.3; double supp=0.5; double gapA=8.; double gapB=4.; double gapC=7.; double thres=0.005; char *XX=NULL; char *YY=NULL; int nX; int nY; nX=strlen(X); nY=strlen(Y); Align( nX,X,secX,&XX,nY,Y,secY,&YY, freqs,fT,fC,fA,fG, rTC,rTA,rTG,rCA,rCG,rAG, dist,supp,gapA,gapB,gapC,thres ); if(Error) goto error; { FILE *fp; int i,nXX,nYY; nXX=strlen(XX); nYY=strlen(YY); fp=fopen("alignment.txt","w"); for(i=0;i #include #include #define EXTERN extern "C" { #include "i-hopper.h" #include "memory.h" } #ifndef ARB_ASSERT_H #include #endif #define ih_assert(bed) arb_assert(bed) IslandHoppingParameter *IslandHopping::para = 0; IslandHoppingParameter::IslandHoppingParameter(bool use_user_freqs_, double fT_, double fC_, double fA_, double fG_, double rTC_, double rTA_, double rTG_, double rCA_, double rCG_, double rAG_, double dist_, double supp_, double gapA_, double gapB_, double gapC_, double thres_) { use_user_freqs = use_user_freqs_; fT = fT_; fC = fC_; fA = fA_; fG = fG_; rTC = rTC_; rTA = rTA_; rTG = rTG_; rCA = rCA_; rCG = rCG_; rAG = rAG_; dist = dist_; supp = supp_; gapA = gapA_; gapB = gapB_; gapC = gapC_; thres = thres_; //@@@ init(); } IslandHoppingParameter::~IslandHoppingParameter() { // @@ uninit(); } // ------------------------------------------- // GB_ERROR IslandHopping::do_align() // ------------------------------------------- GB_ERROR IslandHopping::do_align() { if (!para) { para = new IslandHoppingParameter(0, 0.25, 0.25, 0.25, 0.25, 0, 4.0, 1.0, 1.0, 1.0, 1.0, 4.0, 0.3, 0.5, 8.0, 4.0, 0.001); } int nX; char *X; int *secX; int nY; char *Y; int *secY; char *XX=NULL; char *YY=NULL; int i,j,k,J,K,LJ, LK; Error = 0; nX = 0; nY=0; for(i=0;i': case ')': case '}': if(LJ!=2) J++; LJ = 2; break; default: printf("Unknown '%c'\n", ref_helix[i]); ih_assert(0); break; } } secX[j]=LJ?J:0; j++; } if(toAlign_sequence[i]!='-' && toAlign_sequence[i]!='.') { Y[k] = toAlign_sequence[i]; if (toAlign_helix) { switch(toAlign_helix[i]) { case '-': case '.': if(LK!=0) K++; LK=0; break; case '[': case '<': case '(': case '{': if(LK!=1) K++; LK=1; break; case ']': case '>': case ')': case '}': if(LK!=2) K++; LK=2; break; default: printf("Unknown '%c'\n", toAlign_helix[i]); ih_assert(0); break; } } secY[k]=LK?K:0; k++; } } X[j]='\0'; Y[k]='\0'; if(output_sequence) {delete output_sequence; output_sequence=0;} if(aligned_ref_sequence) {delete aligned_ref_sequence; aligned_ref_sequence=0;} Align( nX,X,secX,&XX,nY,Y,secY,&YY, para->use_user_freqs,para->fT,para->fC,para->fA,para->fG, para->rTC,para->rTA,para->rTG,para->rCA,para->rCG,para->rAG, para->dist,para->supp,para->gapA,para->gapB,para->gapC,para->thres ); if(!Error) { int nXY = strlen(XX); int o; output_alignment_length = nXY; { FILE *fp; fp = fopen("alignment.txt","w"); for(o=0;o>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cpp.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl align.o: defs.h align.o: i-hopper.h align.o: memory.h align.o: trnsprob.h i-hopper.o: defs.h i-hopper.o: i-hopper.h i-hopper.o: memory.h island_hopping.o: defs.h island_hopping.o: i-hopper.h island_hopping.o: island_hopping.h island_hopping.o: memory.h island_hopping.o: $(ARBHOME)/INCLUDE/ad_k_prot.h island_hopping.o: $(ARBHOME)/INCLUDE/arb_assert.h island_hopping.o: $(ARBHOME)/INCLUDE/arbdb_base.h island_hopping.o: $(ARBHOME)/INCLUDE/attributes.h trnsprob.o: defs.h trnsprob.o: memory.h trnsprob.o: trnsprob.h ./arbsrc_9167/ISLAND_HOPPING/memory.c0000644012664100000130000000363111440743000016745 0ustar arb_buildcoders#include #include #define MINSIZE 72 /* >= sizeof(Node) */ static void *M=NULL,*D=NULL; static size_t A=0; /* ========================================================================== */ void clearUp(void) { void *v; while(D) {v=D; D=((void **)v)[0]; free(v);} while(M) {v=M; M=((void **)v)[0]; free(v);} } /* ========================================================================== */ static void outOfMemory(void) { fprintf(stdout,"\n!!! Out of Memory\n"); clearUp(); exit(EXIT_FAILURE); } /* ========================================================================== */ void *newBlock(size_t s) { void *v; size_t S; if(D&&s<=MINSIZE) { v=D; D=((void **)v)[0]; } else { S=((s<=MINSIZE)?MINSIZE:s)+3*sizeof(void *); v=malloc(S); if(v==NULL) outOfMemory(); A+=S; } if(M) ((void **)M)[1]=v; ((void **)v)[0]=M; M=v; ((void **)v)[1]=NULL; ((void **)v)[2]=(void *)s; return(((void **)v)+3); } /*........*/ void freeBlock(void **vv) { void *v; size_t s; v=(void *)(((void **)(*vv))-3); if(((void **)v)[0]) ((void ***)v)[0][1]=((void **)v)[1]; if(((void **)v)[1]) ((void ***)v)[1][0]=((void **)v)[0]; else M=((void **)v)[0]; s=(size_t)(((void **)v)[2]); if(s<=MINSIZE) { ((void **)v)[0]=D; D=v; } else { A-=s+3*sizeof(void *); free(v); } *vv=NULL; } /* ========================================================================== */ void **newMatrix(size_t nrow,size_t ncol,size_t s) { size_t i,p; void **m; m=(void **)newBlock(nrow*sizeof(void *)); p=ncol*s; for(i=0;i #include #include #include "defs.h" #include "memory.h" #include "trnsprob.h" #define EPS 0.00001 /*============================================================================*/ static void identity(double **i) { i[T][T]=1; i[T][C]=0; i[T][A]=0; i[T][G]=0; i[C][T]=0; i[C][C]=1; i[C][A]=0; i[C][G]=0; i[A][T]=0; i[A][C]=0; i[A][A]=1; i[A][G]=0; i[G][T]=0; i[G][C]=0; i[G][A]=0; i[G][G]=1; } /*............................................................................*/ static void copy(double **i,double **j) { i[T][T]=j[T][T]; i[T][C]=j[T][C]; i[T][A]=j[T][A]; i[T][G]=j[T][G]; i[C][T]=j[C][T]; i[C][C]=j[C][C]; i[C][A]=j[C][A]; i[C][G]=j[C][G]; i[A][T]=j[A][T]; i[A][C]=j[A][C]; i[A][A]=j[A][A]; i[A][G]=j[A][G]; i[G][T]=j[G][T]; i[G][C]=j[G][C]; i[G][A]=j[G][A]; i[G][G]=j[G][G]; } /*............................................................................*/ static void ipol(double **i,double **j,double **k,double f) { double g; g=1.0-f; i[T][T]=g*j[T][T]+f*k[T][T]; i[T][C]=g*j[T][C]+f*k[T][C]; i[T][A]=g*j[T][A]+f*k[T][A]; i[T][G]=g*j[T][G]+f*k[T][G]; i[C][T]=g*j[C][T]+f*k[C][T]; i[C][C]=g*j[C][C]+f*k[C][C]; i[C][A]=g*j[C][A]+f*k[C][A]; i[C][G]=g*j[C][G]+f*k[C][G]; i[A][T]=g*j[A][T]+f*k[A][T]; i[A][C]=g*j[A][C]+f*k[A][C]; i[A][A]=g*j[A][A]+f*k[A][A]; i[A][G]=g*j[A][G]+f*k[A][G]; i[G][T]=g*j[G][T]+f*k[G][T]; i[G][C]=g*j[G][C]+f*k[G][C]; i[G][A]=g*j[G][A]+f*k[G][A]; i[G][G]=g*j[G][G]+f*k[G][G]; } /*............................................................................*/ static void addmul(double **i,double **j,double f) { i[T][T]+=j[T][T]*f; i[T][C]+=j[T][C]*f; i[T][A]+=j[T][A]*f; i[T][G]+=j[T][G]*f; i[C][T]+=j[C][T]*f; i[C][C]+=j[C][C]*f; i[C][A]+=j[C][A]*f; i[C][G]+=j[C][G]*f; i[A][T]+=j[A][T]*f; i[A][C]+=j[A][C]*f; i[A][A]+=j[A][A]*f; i[A][G]+=j[A][G]*f; i[G][T]+=j[G][T]*f; i[G][C]+=j[G][C]*f; i[G][A]+=j[G][A]*f; i[G][G]+=j[G][G]*f; } /*............................................................................*/ static void dot(double **i,double **j,double **k) { i[T][T]=j[T][T]*k[T][T]+j[T][C]*k[C][T]+j[T][A]*k[A][T]+j[T][G]*k[G][T]; i[T][C]=j[T][T]*k[T][C]+j[T][C]*k[C][C]+j[T][A]*k[A][C]+j[T][G]*k[G][C]; i[T][A]=j[T][T]*k[T][A]+j[T][C]*k[C][A]+j[T][A]*k[A][A]+j[T][G]*k[G][A]; i[T][G]=j[T][T]*k[T][G]+j[T][C]*k[C][G]+j[T][A]*k[A][G]+j[T][G]*k[G][G]; i[C][T]=j[C][T]*k[T][T]+j[C][C]*k[C][T]+j[C][A]*k[A][T]+j[C][G]*k[G][T]; i[C][C]=j[C][T]*k[T][C]+j[C][C]*k[C][C]+j[C][A]*k[A][C]+j[C][G]*k[G][C]; i[C][A]=j[C][T]*k[T][A]+j[C][C]*k[C][A]+j[C][A]*k[A][A]+j[C][G]*k[G][A]; i[C][G]=j[C][T]*k[T][G]+j[C][C]*k[C][G]+j[C][A]*k[A][G]+j[C][G]*k[G][G]; i[A][T]=j[A][T]*k[T][T]+j[A][C]*k[C][T]+j[A][A]*k[A][T]+j[A][G]*k[G][T]; i[A][C]=j[A][T]*k[T][C]+j[A][C]*k[C][C]+j[A][A]*k[A][C]+j[A][G]*k[G][C]; i[A][A]=j[A][T]*k[T][A]+j[A][C]*k[C][A]+j[A][A]*k[A][A]+j[A][G]*k[G][A]; i[A][G]=j[A][T]*k[T][G]+j[A][C]*k[C][G]+j[A][A]*k[A][G]+j[A][G]*k[G][G]; i[G][T]=j[G][T]*k[T][T]+j[G][C]*k[C][T]+j[G][A]*k[A][T]+j[G][G]*k[G][T]; i[G][C]=j[G][T]*k[T][C]+j[G][C]*k[C][C]+j[G][A]*k[A][C]+j[G][G]*k[G][C]; i[G][A]=j[G][T]*k[T][A]+j[G][C]*k[C][A]+j[G][A]*k[A][A]+j[G][G]*k[G][A]; i[G][G]=j[G][T]*k[T][G]+j[G][C]*k[C][G]+j[G][A]*k[A][G]+j[G][G]*k[G][G]; } /*============================================================================*/ char encodeBase(char c) { switch(c) { case 'U': return T; case 'T': return T; case 'C': return C; case 'A': return A; case 'G': return G; default : return N; } } /*............................................................................*/ char decodeBase(char c) { switch(c) { case T: return 'T'; case C: return 'C'; case A: return 'A'; case G: return 'G'; case N: return '?'; default : return '-'; } } /*============================================================================*/ void normalizeBaseFreqs( double *F,double fT,double fC,double fA,double fG ) { double s; s=fT+fC+fA+fG; if(s ./arbsrc_9167/lib/dtd/arb_tree.dtd0000644012664100000130000000501011213220015016717 0ustar arb_buildcoders ./arbsrc_9167/lib/export/ae2.eft0000644012664100000130000000016111213220012016353 0ustar arb_buildcodersSUFFIX ae2 PRE_FORMAT lib/export/genbank.eft SYSTEM "arb_convert_aln -GenBank $< -AE2 $>" ./arbsrc_9167/lib/export/embl.eft0000644012664100000130000000330111215726616016651 0ustar arb_buildcodersSUFFIX embl BEGIN *(|define(formatMeta,"split(\\"[\\",1)|crop(\\" \\")|dropempty|format(firsttab=0;tab=0;width=73;forcenl=\\"|\n\\")|merge(\\"\n\\")"))\ ID *(name) *(|sequence_type); *(|export_sequence|len(.-)) BP. XX AC *(acc); OS *(full_name) *(organelle| do(formatMeta)|split|dropempty|srt("*=OG *\n"))\ *(tax| do(formatMeta)|split|dropempty|srt("*=OC *\n"))\ XX *(version| do(formatMeta)|split|dropempty|srt("*=SV *\n"))\ *(keywd| do(formatMeta)|split|dropempty|srt("*=KW *\n"))\ XX *(date| do(formatMeta)|split|dropempty|srt("*=DT *\n"))\ *(db_xref| do(formatMeta)|split|dropempty|srt("*=DR *\n"))\ *(description|do(formatMeta)|split|dropempty|srt("*=DE *\n"))\ XX *(|readdb(author);readdb(title);readdb(journal);readdb(refgrp);readdb(auth_comm);readdb(nuc_rp)|merge|dropempty|srt("*=RN [1]\n"))\ *(author| do(formatMeta)|split|dropempty|srt("*=RA *\n"))\ *(title| do(formatMeta)|split|dropempty|srt("*=RT *\n"))\ *(journal| do(formatMeta)|split|dropempty|srt("*=RL *\n"))\ *(refgrp| do(formatMeta)|split|dropempty|srt("*=RG *\n"))\ *(auth_comm| do(formatMeta)|split|dropempty|srt("*=RC *\n"))\ *(nuc_rp| do(formatMeta)|split|dropempty|srt("*=RP *\n"))\ XX *(pubmed_id| crop(" ")| dropempty|srt("*=RX PUBMED *\n"))\ *(medline_id| crop(" ")| dropempty|srt("*=RX MEDLINE *\n"))\ XX *(comment| do(formatMeta)|split|dropempty|srt("*=CC *\n"))\ XX FT source 1..*(|export_sequence|len(.-)) *(strain|crop(" ")|dropempty|srt("*=FT /strain\\=*\n"))\ XX SQ Sequence *(|export_sequence|len(.-)) BP; *(|export_sequence|format_sequence(firsttab=10;tab=10;width=50;numleft;gap=10)) // ./arbsrc_9167/lib/export/fasta.eft0000644012664100000130000000024511213220012017005 0ustar arb_buildcodersSUFFIX fasta BEGIN >*(name) *(|export_sequence|len(.-)) bp *(|sequence_type) *(|export_sequence|format_sequence(firsttab=0;tab=0;width=50)) ./arbsrc_9167/lib/export/fasta_NCBI_sequin.eft0000644012664100000130000000040111213220012021156 0ustar arb_buildcodersSUFFIX fasta BEGIN >*(name) [organism=*(full_name)] [strain=*(strain)] [clone=*(clone)] [lineage=*(tax)] [environmental-sample=*(env_sl)] [moltype=*(moltype)] [clone-lib=*(clone_lib)] [isolation-source=*(isol_src)] *(|export_sequence|remove(".-")) ./arbsrc_9167/lib/export/fasta_wacc.eft0000644012664100000130000000046411225131741020022 0ustar arb_buildcoders# HM May 2009 # # Exports sequences from ARB to fasta-format with # name, sequence length, sequence type, and acc in header SUFFIX fasta BEGIN >*(name) *(|export_sequence|len(.-)) bp *(|sequence_type) *(acc) *(|export_sequence|format_sequence(firsttab=0;tab=0;width=50)) ./arbsrc_9167/lib/export/fasta_wide.eft0000644012664100000130000000017211213220012020014 0ustar arb_buildcodersSUFFIX fasta BEGIN >*(name) *(|export_sequence|len(.-)) bp *(|sequence_type) *(|export_sequence) ./arbsrc_9167/lib/export/gcg_8x.eft0000644012664100000130000000136211213220012017067 0ustar arb_buildcodersSUFFIX seq BEGIN GCG 8.x sequence format Exported from ARB database Full name: *(full_name) Accession: *(acc|extract_words("0123456789",4.0)) Date : *(date| srt("..=_")|crop(" ")|format(firsttab=0;tab=11;width=70;"nl= ";"forcenl=|\n")) Author : *(author|srt("..=_")|crop(" ")|format(firsttab=0;tab=11;width=70;"nl= ";"forcenl=|\n")) Title : *(title| srt("..=_")|crop(" ")|format(firsttab=0;tab=11;width=70;"nl= ";"forcenl=|\n")) Strain : *(strain|srt("..=_")|crop(" ")|format(firsttab=0;tab=11;width=70;"nl= ";"forcenl=|\n")) SeqType : *(|sequence_type) BasePos : *(|export_sequence|len(.-)) Length : *(|export_sequence|len) .. = end of GCG header *(|export_sequence|format_sequence(firsttab=10;tab=10;width=50;numleft;gap=10)) // ./arbsrc_9167/lib/export/gcg.eft0000644012664100000130000000033611213220012016450 0ustar arb_buildcodersSUFFIX seq BEGIN !!NA_SEQUENCE 1.0 *(full_name) *(name) Length: *(|export_sequence|len) Check: *(|export_sequence|gcgchecksum) .. *(|export_sequence|format_sequence(firsttab=10;tab=10;width=50;numleft;gap=10)) ./arbsrc_9167/lib/export/genbank.eft0000644012664100000130000000205111213220012017311 0ustar arb_buildcodersSUFFIX gb BEGIN *(|define(formatMeta, "split(\\\"[\\\",1)|split(\\\"|\\\",0)|crop(\\\" \\\")|dropempty|merge(\\\"\n\\\")|format(firsttab=0;tab=12;width=70;forcenl=\\\"\n\\\")"))\ LOCUS *(name|tab(10))*(|export_sequence|len(.-)|pretab(7)) bp ss-*(|sequence_type|upper|tab(5)) *(|sequence_type|upper) *(date:* *=*1) *(full_name| do(formatMeta)|dropempty|srt("*=DEFINITION *\n"))\ ACCESSION *(acc) *(source| do(formatMeta)|dropempty|srt("*=SOURCE *\n"))\ *(tax| do(formatMeta)|dropempty|srt("*= ORGANISM *\n"))\ REFERENCE 1 *(author| do(formatMeta)|dropempty|srt("*= AUTHORS *\n"))\ *(title| do(formatMeta)|dropempty|srt("*= TITLE *\n"))\ *(journal| do(formatMeta)|dropempty|srt("*= JOURNAL *\n"))\ *(pubmed_id| do(formatMeta)|dropempty|srt("*= PUBMED *\n"))\ *(medline_id| do(formatMeta)|dropempty|srt("*= MEDLINE *\n"))\ *(strain| do(formatMeta)|dropempty|srt("*=COMMENT *\n"))\ ORIGIN *(|export_sequence|format_sequence(firsttab=12;tab=12;width=60;numleft;gap=10)) // ./arbsrc_9167/lib/export/genbank_list.eft0000644012664100000130000000021711213220012020346 0ustar arb_buildcodersSUFFIX alpha #HEAD "*(|date); Automatically exported data from ARB" BEGIN *(name|tab(11)) *(full_name|tab(40)) *(acc:?*=(ACC ?1*1)) ./arbsrc_9167/lib/export/paup.eft0000644012664100000130000000016311213220012016653 0ustar arb_buildcodersSUFFIX paup PRE_FORMAT lib/export/genbank.eft SYSTEM "arb_convert_aln -GenBank $< -PAUP $>" ./arbsrc_9167/lib/export/phylip.eft0000644012664100000130000000016511213220012017215 0ustar arb_buildcodersSUFFIX phyl PRE_FORMAT lib/export/genbank.eft SYSTEM "arb_convert_aln -GenBank $< -phylip $>" ./arbsrc_9167/lib/export/pir.eft0000644012664100000130000000027611213220012016505 0ustar arb_buildcodersSUFFIX pir BEGIN >DL; *(name) *(|export_sequence|len(.-)) bp *(|sequence_type) *(full_name) *(|export_sequence|remove("*")|format_sequence(firsttab=0;tab=0;width=50))\* ./arbsrc_9167/lib/export/xml.eft0000644012664100000130000000004611213220012016506 0ustar arb_buildcodersSUFFIX xml INTERNAL xml_write ./arbsrc_9167/lib/GPL.txt0000644012664100000130000004400311213220015015054 0ustar arb_buildcoders Below is a copy of the GPL. It does NOT apply to the ARB source code! It's only provided because ARB is distributed together with some GPLed software. You can get the source of that software together with the ARB source code from http://arb-home.de/ -------------------------------------------------------------------------------- GNU GENERAL PUBLIC LICENSE Version 2, June 1991 Copyright (C) 1989, 1991 Free Software Foundation, Inc. 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. Preamble The licenses for most software are designed to take away your freedom to share and change it. By contrast, the GNU General Public License is intended to guarantee your freedom to share and change free software--to make sure the software is free for all its users. This General Public License applies to most of the Free Software Foundation's software and to any other program whose authors commit to using it. (Some other Free Software Foundation software is covered by the GNU Library General Public License instead.) You can apply it to your programs, too. When we speak of free software, we are referring to freedom, not price. Our General Public Licenses are designed to make sure that you have the freedom to distribute copies of free software (and charge for this service if you wish), that you receive source code or can get it if you want it, that you can change the software or use pieces of it in new free programs; and that you know you can do these things. To protect your rights, we need to make restrictions that forbid anyone to deny you these rights or to ask you to surrender the rights. These restrictions translate to certain responsibilities for you if you distribute copies of the software, or if you modify it. For example, if you distribute copies of such a program, whether gratis or for a fee, you must give the recipients all the rights that you have. You must make sure that they, too, receive or can get the source code. And you must show them these terms so they know their rights. We protect your rights with two steps: (1) copyright the software, and (2) offer you this license which gives you legal permission to copy, distribute and/or modify the software. Also, for each author's protection and ours, we want to make certain that everyone understands that there is no warranty for this free software. If the software is modified by someone else and passed on, we want its recipients to know that what they have is not the original, so that any problems introduced by others will not reflect on the original authors' reputations. Finally, any free program is threatened constantly by software patents. We wish to avoid the danger that redistributors of a free program will individually obtain patent licenses, in effect making the program proprietary. To prevent this, we have made it clear that any patent must be licensed for everyone's free use or not licensed at all. The precise terms and conditions for copying, distribution and modification follow. GNU GENERAL PUBLIC LICENSE TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION 0. This License applies to any program or other work which contains a notice placed by the copyright holder saying it may be distributed under the terms of this General Public License. The "Program", below, refers to any such program or work, and a "work based on the Program" means either the Program or any derivative work under copyright law: that is to say, a work containing the Program or a portion of it, either verbatim or with modifications and/or translated into another language. (Hereinafter, translation is included without limitation in the term "modification".) Each licensee is addressed as "you". Activities other than copying, distribution and modification are not covered by this License; they are outside its scope. The act of running the Program is not restricted, and the output from the Program is covered only if its contents constitute a work based on the Program (independent of having been made by running the Program). Whether that is true depends on what the Program does. 1. You may copy and distribute verbatim copies of the Program's source code as you receive it, in any medium, provided that you conspicuously and appropriately publish on each copy an appropriate copyright notice and disclaimer of warranty; keep intact all the notices that refer to this License and to the absence of any warranty; and give any other recipients of the Program a copy of this License along with the Program. You may charge a fee for the physical act of transferring a copy, and you may at your option offer warranty protection in exchange for a fee. 2. You may modify your copy or copies of the Program or any portion of it, thus forming a work based on the Program, and copy and distribute such modifications or work under the terms of Section 1 above, provided that you also meet all of these conditions: a) You must cause the modified files to carry prominent notices stating that you changed the files and the date of any change. b) You must cause any work that you distribute or publish, that in whole or in part contains or is derived from the Program or any part thereof, to be licensed as a whole at no charge to all third parties under the terms of this License. c) If the modified program normally reads commands interactively when run, you must cause it, when started running for such interactive use in the most ordinary way, to print or display an announcement including an appropriate copyright notice and a notice that there is no warranty (or else, saying that you provide a warranty) and that users may redistribute the program under these conditions, and telling the user how to view a copy of this License. (Exception: if the Program itself is interactive but does not normally print such an announcement, your work based on the Program is not required to print an announcement.) These requirements apply to the modified work as a whole. If identifiable sections of that work are not derived from the Program, and can be reasonably considered independent and separate works in themselves, then this License, and its terms, do not apply to those sections when you distribute them as separate works. But when you distribute the same sections as part of a whole which is a work based on the Program, the distribution of the whole must be on the terms of this License, whose permissions for other licensees extend to the entire whole, and thus to each and every part regardless of who wrote it. Thus, it is not the intent of this section to claim rights or contest your rights to work written entirely by you; rather, the intent is to exercise the right to control the distribution of derivative or collective works based on the Program. In addition, mere aggregation of another work not based on the Program with the Program (or with a work based on the Program) on a volume of a storage or distribution medium does not bring the other work under the scope of this License. 3. You may copy and distribute the Program (or a work based on it, under Section 2) in object code or executable form under the terms of Sections 1 and 2 above provided that you also do one of the following: a) Accompany it with the complete corresponding machine-readable source code, which must be distributed under the terms of Sections 1 and 2 above on a medium customarily used for software interchange; or, b) Accompany it with a written offer, valid for at least three years, to give any third party, for a charge no more than your cost of physically performing source distribution, a complete machine-readable copy of the corresponding source code, to be distributed under the terms of Sections 1 and 2 above on a medium customarily used for software interchange; or, c) Accompany it with the information you received as to the offer to distribute corresponding source code. (This alternative is allowed only for noncommercial distribution and only if you received the program in object code or executable form with such an offer, in accord with Subsection b above.) The source code for a work means the preferred form of the work for making modifications to it. For an executable work, complete source code means all the source code for all modules it contains, plus any associated interface definition files, plus the scripts used to control compilation and installation of the executable. However, as a special exception, the source code distributed need not include anything that is normally distributed (in either source or binary form) with the major components (compiler, kernel, and so on) of the operating system on which the executable runs, unless that component itself accompanies the executable. If distribution of executable or object code is made by offering access to copy from a designated place, then offering equivalent access to copy the source code from the same place counts as distribution of the source code, even though third parties are not compelled to copy the source along with the object code. 4. You may not copy, modify, sublicense, or distribute the Program except as expressly provided under this License. Any attempt otherwise to copy, modify, sublicense or distribute the Program is void, and will automatically terminate your rights under this License. However, parties who have received copies, or rights, from you under this License will not have their licenses terminated so long as such parties remain in full compliance. 5. You are not required to accept this License, since you have not signed it. However, nothing else grants you permission to modify or distribute the Program or its derivative works. These actions are prohibited by law if you do not accept this License. Therefore, by modifying or distributing the Program (or any work based on the Program), you indicate your acceptance of this License to do so, and all its terms and conditions for copying, distributing or modifying the Program or works based on it. 6. Each time you redistribute the Program (or any work based on the Program), the recipient automatically receives a license from the original licensor to copy, distribute or modify the Program subject to these terms and conditions. You may not impose any further restrictions on the recipients' exercise of the rights granted herein. You are not responsible for enforcing compliance by third parties to this License. 7. If, as a consequence of a court judgment or allegation of patent infringement or for any other reason (not limited to patent issues), conditions are imposed on you (whether by court order, agreement or otherwise) that contradict the conditions of this License, they do not excuse you from the conditions of this License. If you cannot distribute so as to satisfy simultaneously your obligations under this License and any other pertinent obligations, then as a consequence you may not distribute the Program at all. For example, if a patent license would not permit royalty-free redistribution of the Program by all those who receive copies directly or indirectly through you, then the only way you could satisfy both it and this License would be to refrain entirely from distribution of the Program. If any portion of this section is held invalid or unenforceable under any particular circumstance, the balance of the section is intended to apply and the section as a whole is intended to apply in other circumstances. It is not the purpose of this section to induce you to infringe any patents or other property right claims or to contest validity of any such claims; this section has the sole purpose of protecting the integrity of the free software distribution system, which is implemented by public license practices. Many people have made generous contributions to the wide range of software distributed through that system in reliance on consistent application of that system; it is up to the author/donor to decide if he or she is willing to distribute software through any other system and a licensee cannot impose that choice. This section is intended to make thoroughly clear what is believed to be a consequence of the rest of this License. 8. If the distribution and/or use of the Program is restricted in certain countries either by patents or by copyrighted interfaces, the original copyright holder who places the Program under this License may add an explicit geographical distribution limitation excluding those countries, so that distribution is permitted only in or among countries not thus excluded. In such case, this License incorporates the limitation as if written in the body of this License. 9. The Free Software Foundation may publish revised and/or new versions of the General Public License from time to time. Such new versions will be similar in spirit to the present version, but may differ in detail to address new problems or concerns. Each version is given a distinguishing version number. If the Program specifies a version number of this License which applies to it and "any later version", you have the option of following the terms and conditions either of that version or of any later version published by the Free Software Foundation. If the Program does not specify a version number of this License, you may choose any version ever published by the Free Software Foundation. 10. If you wish to incorporate parts of the Program into other free programs whose distribution conditions are different, write to the author to ask for permission. For software which is copyrighted by the Free Software Foundation, write to the Free Software Foundation; we sometimes make exceptions for this. Our decision will be guided by the two goals of preserving the free status of all derivatives of our free software and of promoting the sharing and reuse of software generally. NO WARRANTY 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, REPAIR OR CORRECTION. 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGES. END OF TERMS AND CONDITIONS How to Apply These Terms to Your New Programs If you develop a new program, and you want it to be of the greatest possible use to the public, the best way to achieve this is to make it free software which everyone can redistribute and change under these terms. To do so, attach the following notices to the program. It is safest to attach them to the start of each source file to most effectively convey the exclusion of warranty; and each file should have at least the "copyright" line and a pointer to where the full notice is found. Copyright (C) This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA Also add information on how to contact you by electronic and paper mail. If the program is interactive, make it output a short notice like this when it starts in an interactive mode: Gnomovision version 69, Copyright (C) year name of author Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. This is free software, and you are welcome to redistribute it under certain conditions; type `show c' for details. The hypothetical commands `show w' and `show c' should show the appropriate parts of the General Public License. Of course, the commands you use may be called something other than `show w' and `show c'; they could even be mouse-clicks or menu items--whatever suits your program. You should also get your employer (if you work as a programmer) or your school, if any, to sign a "copyright disclaimer" for the program, if necessary. Here is a sample; alter the names: Yoyodyne, Inc., hereby disclaims all copyright interest in the program `Gnomovision' (which makes passes at compilers) written by James Hacker. , 1 April 1989 Ty Coon, President of Vice This General Public License does not permit incorporating your program into proprietary programs. If your program is a subroutine library, you may consider it more useful to permit linking proprietary applications with the library. If this is what you want to do, use the GNU Library General Public License instead of this License. ./arbsrc_9167/lib/import/.ae2.ift0000644012664100000130000000017011225131741016443 0ustar arb_buildcodersAUTODETECT "#-*\n#=*" SYSTEM "arb_convert_aln -AE2 $< -GenBank $>" NEW_FORMAT "lib/import/rdp.ift" ./arbsrc_9167/lib/import/.bergey.ift0000644012664100000130000000440211225131741017253 0ustar arb_buildcodersAUTODETECT "rdp.id*" BEGIN "*" MATCH "*" WRITE "definition" MATCH "*" SRT "*\t*=*1" TAG "BGY" APPEND "id" MATCH "*" SRT "*\t*\t*=*2" WRITE "acc" MATCH "*" SRT "*\t*\t*\t*=*3" TAG "BGY" APPEND "id" MATCH "*" SRT "*\t*\t*\t*\t*=*4" TAG "BGY" APPEND "db_name" MATCH "*" SRT "*\t*\t*\t*\t*=*4" WRITE "full_name" MATCH "*" SRT "*\t*\t*\t*\t*\t*=*5" TAG "BGY" WRITE "domain" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*=*6" TAG "BGY" WRITE "phylum" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*=*7" TAG "BGY" WRITE "class" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*\t*=*8" TAG "BGY" WRITE "order" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*\t*\t*=*9" TAG "BGY" WRITE "family" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*=*10" TAG "BGY" WRITE "genus" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*=*11" TAG "BGY" WRITE "genus_seq" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*=*12" TAG "BGY" WRITE "taxon_seq" MATCH "*" SRT "*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*\t*=*13" TAG "BGY" WRITE "status" SEQUENCESTART "*" SEQUENCEEND ">*" END "//" ./arbsrc_9167/lib/import/.dewachter.ift0000644012664100000130000000351711225131741017752 0ustar arb_buildcodersAUTODETECT "*\nseq:*" FILETAG "DEW" KEYWIDTH 4 BEGIN "acc*" #Now all lines are prepended by a number MATCH "acc:*" SRT " =:,= :NoAccn=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "seq:*" WRITE "full_name" MATCH "seq:*" TAG "DEW" WRITE "db_name" MATCH "src:*" SRT "NoData=" TAG "DEW" APPEND "source" MATCH "str:*" SRT "NoData=" TAG "DEW" APPEND "strain" MATCH "ta?:*" SRT "NoData=" TAG "DEW" APPEND "tax" MATCH "aut:*" SRT "NoData=:?*=?1*1" TAG "DEW" APPEND "author" MATCH "ttl:*" SRT "Unpublished=:?*=?1*1" TAG "DEW" APPEND "title" MATCH "jou:*" SRT "Unpublished=:?*=?1*1" TAG "DEW" APPEND "journal" MATCH "vol:*" SRT "0=:?*=vol ?1*1" TAG "DEW" APPEND "journal" MATCH "pgs:*" SRT "NoData=:?*=pgs ?1*1" TAG "DEW" APPEND "journal" MATCH "dat:*" SRT "NoData=:?*=date ?1*1" TAG "DEW" APPEND "journal" MATCH "mty:*" TAG "DEW" WRITE "gene" SEQUENCEAFTER "seq:*" SEQUENCEACI "remove(" [](){}^*")|srt(o=.)" SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.dnasis.ift0000644012664100000130000000032511225131741017257 0ustar arb_buildcodersAUTODETECT "DNASIS*" #Global settings: KEYWIDTH 5 BEGIN "DNASIS*" SEQUENCEAFTER "SEQ*" SEQUENCESRT " =" SEQUENCEEND "//" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.dssp_2nd_struct.ift0000644012664100000130000000033411225131741021116 0ustar arb_buildcodersAUTODETECT "*Secondary Structure Definition by the program DSSP*" SYSTEM "perl $ARBHOME/PERL_SCRIPTS/ARBTOOLS/IFTHELP/format_dssp.pl < $< > $>" NEW_FORMAT "lib/import/nonformats/dssp_2nd_struct.ift" ./arbsrc_9167/lib/import/.dssp_all.ift0000644012664100000130000000026111225131741017576 0ustar arb_buildcodersAUTODETECT "NO AUTODETECTION" SYSTEM "perl $ARBHOME/PERL_SCRIPTS/ARBTOOLS/IFTHELP/format_dssp.pl < $< > $>" NEW_FORMAT "lib/import/nonformats/dssp_all.ift" ./arbsrc_9167/lib/import/.dssp_sequence.ift0000644012664100000130000000025511225131741020641 0ustar arb_buildcodersAUTODETECT "NO AUTODETECTION" SYSTEM "perl $ARBHOME/PERL_SCRIPTS/ARBTOOLS/IFTHELP/format_dssp.pl < $< > $>" NEW_FORMAT "lib/import/dssp_sequence2.ift2" ./arbsrc_9167/lib/import/ebi_multi.ift0000644012664100000130000000032011215726616017676 0ustar arb_buildcodersAUTODETECT "ID *\nSQ*" SYSTEM "perl $ARBHOME/PERL_SCRIPTS/ARBTOOLS/IFTHELP/embl_gen_long_features.pl < $< > $>" NEW_FORMAT "lib/import/nonformats/longebi.ift" # nonformats/longebi.ift ./arbsrc_9167/lib/import/ebi_silva.ift0000644012664100000130000001057511213220015017653 0ustar arb_buildcoders#Modified by FOG, 17.05.2009# #field type INT added for start, stop, insdc, version# AUTODETECT "ID *\nFT rRNA *\nSQ*" # Global settings: KEYWIDTH 5 FILETAG "EBI" BEGIN "ID*" MATCH "ID *" SRT "* *=*1" WRITE "name" MATCH "ID *" SRT "*; SV *;*=*2" WRITE_INT "version" MATCH "AC *" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "PR *" SRT "PR *=*:*\:*=*2:;=" WRITE_INT "insdc" MATCH "DT *Created*" SRT "DT *=*:* \(*=*1;" APPEND "date" MATCH "DT *updated*" SRT "DT *=*:* \(*=*1:" APPEND "date" MATCH "DE *" SRT "DE *=*:;=" APPEND "description" MATCH "OS *" SRT "OS *=*" WRITE "full_name" MATCH "OC *" SRT "OC *=*" APPEND "tax_embl" MATCH "OS *" SRT "OS *=*" WRITE "tax_embl_name" MATCH "RP *" SRT "RP *=*" APPEND "nuc_rp" MATCH "RX DOI*" SRT "*DOI*=*2:;=: =" WRITE "publication_doi" MATCH "RX PUBMED*" SRT "*PUBMED*=*2:;=: =:.=" WRITE "pubmed_id" MATCH "RA *" SRT "RA *=*:;=" APPEND "author" MATCH "RT *" SRT "RT *=*:;=:"=" APPEND "title" MATCH "RL *)." SRT "RL *=*:\).=)" APPEND "journal" MATCH "RL *Submitted*" SRT "RL *=*:Submitted=:\(*\)*=*1" WRITE "submit_date" MATCH "RL *" SRT "*Submitted*bases.=:*.\n*=*2" APPEND "submit_author" MATCH "FT source*" SRT "*source*=*2: =" WRITE "nuc_region" MATCH "FT *clone*" SRT "*clone*=*2:\"=:\==" APPEND "clone" MATCH "FT *db_xref=*taxon*" SRT "*db_xref*=*2:*\:*=*2:\"=:\==" APPEND "tax_xref_embl" MATCH "FT *isolate=*" SRT "*isolate*=*2:\"=:\==" APPEND "isolate" MATCH "FT *strain*" SRT "*/strain*=*2:\"=:\==" APPEND "strain" MATCH "FT *isolation_source*" SRT "*/isolation_source*=*2:\"=:\==" APPEND "isolation_source" MATCH "FT *country*" SRT "*/country*=*2:\"=:\==" APPEND "country" MATCH "FT *lat_lon*" SRT "*/lat_lon*=*2:\"=:\==" APPEND "lat_lon" MATCH "FT *specimen_voucher*" SRT "*/specimen_voucher*=*2:\"=:\==" APPEND "specimen_voucher" MATCH "FT *specific_host*" SRT "*/specific_host*=*2:\"=:\==" APPEND "specific_host" MATCH "FT *collected_by*" SRT "*/collected_by*=*2:\"=:\==" APPEND "collected_by" MATCH "FT *collection_date*" SRT "*/collection_date*=*2:\"=:\==" APPEND "collection_date" MATCH "FT rRNA*" SRT "*rRNA*=*2: =:*..*=*1:<=:>=" WRITE_INT "start" MATCH "FT rRNA *" SRT "*rRNA*=*2: =:*..*=*2:<=:>=" WRITE_INT "stop" MATCH "FT *gene*" SRT "*gene*=*2:\==:"=" APPEND "gene" MATCH "FT *product*" SRT "*product*=*2:\==:"=" APPEND "product" SEQUENCEAFTER "SQ*" SEQUENCESRT "*Check*..*=*3" SEQUENCEACI "remove("0123456789 /")" SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE # DONT_GEN_NAMES END "//" ./arbsrc_9167/lib/import/.fasta_contextual_data_1_03.ift0000644012664100000130000001105111225131741023053 0ustar arb_buildcoders# written by Renzo Kottmann rkottman@mpi-bremen.de 2008-08 # modified by Joerg Peplies, Frank Oliver Gloeckner # start field is instantly set to 1 # Version 1.03 last modified 2008-11-01 # work out solution for PCR_primers # fasta identifier (">*") goes now to field "fasta_id" (new!) # content of contextual data field "organism" goes to ARB field "full_name" #AUTODETECT "*[*" KEYWIDTH 1 BEGIN ">??*" MATCH ">*" SRT "* *=*1:*\t*=*1" WRITE "name" SRT "*=1" WRITE_INT "start" MATCH ">*" SRT "* *=*1" WRITE "fasta_id" MATCH "*altitude=*" SRT "*altitude\=*] *=*2" WRITE "altitude_slv" MATCH "*bio-material=*" SRT "*bio-material\=*] *=*2" WRITE "bio_material" MATCH "*clone-lib=*" SRT "*clone-lib\=*] *=*2" WRITE "clone_lib" MATCH "*strain=*" SRT "*strain\=*] *=*2" WRITE "strain" MATCH "*fingerprint_lib=*" SRT "*fingerprint_lib\=*] *=*2" WRITE "fingerprint_lib" MATCH "*chlorophyll=*" SRT "*chlorophyll\=*] *=*2" WRITE "chlorophyll_slv" MATCH "*collected-by=*" SRT "*collected-by\=*] *=*2" WRITE "collected_by" MATCH "*collection-date=*" SRT "*collection-date\=*] *=*2" WRITE "collection_date" MATCH "*collection_time=*" SRT "*collection_time\=*] *=*2" WRITE "collection_time_slv" MATCH "*country=*" SRT "*country\=*] *=*2" WRITE "country" MATCH "*culture-collection=*" SRT "*culture-collection\=*] *=*2" WRITE "culture_collection" MATCH "*depth=*" SRT "*depth\=*] *=*2" WRITE "depth_slv" MATCH "*dissolved_oxygen=*" SRT "*dissolved_oxygen\=*] *=*2" WRITE "dissolved_oxygen_slv" MATCH "*DOC=*" SRT "*DOC\=*] *=*2" WRITE "DOC_slv" MATCH "*environmental-sample=*" SRT "*environmental-sample\=*] *=*2" WRITE "environmental_sample" MATCH "*fwd-pcr-primer-seq=*" SRT "*fwd-pcr-primer-seq\=*] *=*2" WRITE "fwd_pcr_primer_seq" MATCH "*geodetic_datum=*" SRT "*geodetic_datum\=*] *=*2" WRITE "geodetic_datum_slv" MATCH "*habitat=*" SRT "*habitat\=*] *=*2" WRITE "habitat_slv" MATCH "*haplotype=*" SRT "*haplotype\=*] *=*2" WRITE "haplotype" MATCH "*identified-by=*" SRT "*identified-by\=*] *=*2" WRITE "identified_by" MATCH "*isolation-source=*" SRT "*isolation-source\=*] *=*2" WRITE "isolation_source" MATCH "*lab-host=*" SRT "*lab-host\=*] *=*2" WRITE "lab_host" MATCH "*lat_lon_details=*" SRT "*lat_lon_details\=*] *=*2" WRITE "lat_lon_details_slv" MATCH "*lat-lon=*" SRT "*lat-lon\=*] *=*2" WRITE "lat_lon" MATCH "*metagenomic=*" SRT "*metagenomic\=*] *=*2" WRITE "metagenomic" MATCH "*nitrate=*" SRT "*nitrate\=*] *=*2" WRITE "nitrate_slv" MATCH "*pH=*" SRT "*pH\=*] *=*2" WRITE "pH_slv" MATCH "*phosphate=*" SRT "*phosphate\=*] *=*2" WRITE "phosphate_slv" MATCH "*plasmid-name=*" SRT "*plasmid-name\=*] *=*2" WRITE "plasmid_name" MATCH "*project_name=*" SRT "*project_name\=*] *=*2" WRITE "project_name_slv" MATCH "*POC=*" SRT "*POC\=*] *=*2" WRITE "POC_slv" MATCH "*rev-pcr-primer-seq=*" SRT "*rev-pcr-primer-seq\=*] *=*2" WRITE "rev_pcr_primer_seq" MATCH "*salinity=*" SRT "*salinity\=*] *=*2" WRITE "salinity_slv" MATCH "*sample_identifier=*" SRT "*sample_identifier\=*] *=*2" WRITE "sample_identifier_slv" MATCH "*sample_material=*" SRT "*sample_material\=*] *=*2" WRITE "sample_material_slv" MATCH "*sample_volume=*" SRT "*sample_volume\=*] *=*2" WRITE "sample_volume_slv" MATCH "*silicate=*" SRT "*silicate\=*] *=*2" WRITE "silicate_slv" MATCH "*specific-host=*" SRT "*specific-host\=*] *=*2" WRITE "specific_host" MATCH "*specimen-voucher=*" SRT "*specimen-voucher\=*] *=*2" WRITE "specimen_voucher" MATCH "*sub-species=*" SRT "*sub-species\=*] *=*2" WRITE "sub_species" MATCH "*temperature=*" SRT "*temperature\=*] *=*2" WRITE "temperature_slv" MATCH "*organism=*" SRT "*organism\=*] *=*2" WRITE "full_name" SEQUENCEAFTER "*" SEQUENCESRT "" SEQUENCEACI "remove(".-0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND ">*" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/fasta.ift0000644012664100000130000000071111213220015017003 0ustar arb_buildcodersAUTODETECT ">*" #Global settings: KEYWIDTH 1 BEGIN ">??*" MATCH ">*" SRT "* *=*1:*\t*=*1" WRITE "name" MATCH ">*" SRT "*|*=*1" WRITE "full_name" SEQUENCEAFTER "*" SEQUENCESRT "" SEQUENCEACI "remove(".-0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND ">*" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/fasta_wacc_wgap.ift0000644012664100000130000000132411225131741021031 0ustar arb_buildcoders# HM May 2009 # # Imports aligned sequences in FASTA-format to ARB. # # The first attribute in the FASTA header is written to DB field 'name' and # the rest to both the fields 'longname' and 'acc' AUTODETECT ">*" KEYWIDTH 1 BEGIN ">??*" MATCH ">*" SRT "* *=*1:*\t*=*1" WRITE "name" MATCH ">*" SRT "*|*=*1:*\t*=*1" WRITE "full_name" MATCH ">*" SRT "* ARB_GENE*=ARB_GENE*2" WRITE "acc" SEQUENCEAFTER "*" SEQUENCESRT "" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND ">*" DONT_GEN_NAMES # CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/fasta_wgap.ift0000644012664100000130000000070711222657507020052 0ustar arb_buildcodersAUTODETECT ">*" KEYWIDTH 1 BEGIN ">??*" MATCH ">*" SRT "* *=*1:*\t*=*1" WRITE "name" MATCH ">*" SRT "*|*=*1" WRITE "full_name" SEQUENCEAFTER "*" SEQUENCESRT "" SEQUENCEACI "remove("123456789 /")" # added by FOG, 17.05.2009 SEQUENCECOLUMN 0 SEQUENCEEND ">*" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.gcg_rsf.ift0000644012664100000130000000471311225131741017415 0ustar arb_buildcodersAUTODETECT "!!RICH_SEQUENCE*" #Global settings: KEYWIDTH 14 FILETAG rsf BEGIN " LOCUS*" MATCH " LOCUS *" SRT "* *=*1" WRITE "name" MATCH " ACCESSION *" SRT "\"*\"=*1:No information=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH " SOURCE *" TAG "GCG_RSF" APPEND "source" MATCH " ORGANISM *" SRT "*|*=*1" WRITE "full_name" MATCH " ORGANISM *" SRT "*|*=*2" TAG "GCG_RSF" WRITE "tax" MATCH " VERSION *" SRT "*|*=*1" TAG "GCG_RSF" WRITE "version" MATCH " AUTHORS *" SRT "No information*=" TAG "GCG_RSF" APPEND "author" MATCH " TITLE *" SRT "No information*=" TAG "GCG_RSF" APPEND "title" MATCH " JOURNAL *" SRT "No information*=" TAG "GCG_RSF" APPEND "journal" MATCH " source*strain*" SRT "*/strain\=\"*\"*=*2" WRITE "strain" MATCH " source*clone*" SRT "*/clone\=\"*\"*=*2" TAG "GCG_RSF" WRITE "clone" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "GCG_RSF" WRITE "description" MATCH " source*specific_host*" SRT */specific_host\=\"*\"*=*2" TAG "GCG_RSF" APPEND "host" MATCH " source*isolate*" SRT "*/isolate\=\"*\"*=*2" WRITE "strain" MATCH " KEYWORDS *" SRT ";=" TAG "GCG_RSF" APPEND "keywords" SEQUENCEAFTER "sequence*" SEQUENCESRT "*Check*..*=*3" SEQUENCEACI "remove("0123456789 /")" SEQUENCEEND "}" CREATE_ACC_FROM_SEQUENCE END "}" ./arbsrc_9167/lib/import/.gcg_rsf_pir.ift0000644012664100000130000000411111225131741020257 0ustar arb_buildcodersAUTODETECT "!!RICH_SEQUENCE*" #Global settings: #KEYWIDTH 3 FILETAG "GCG_PIR" BEGIN "comments*" MATCH " C;Accession: *" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH " C;Species: *" SRT "* *=*2" WRITE "full_name" MATCH " C;Species: *" SRT "* *=*2" TAG "GCG_PIR" APPEND "db_name" MATCH " C;Date: *" SRT "* *=*2" TAG "GCG_PIR" APPEND "date" MATCH " R;*" SRT "R;*=*" TAG "GCG_PIR" APPEND "author" MATCH " R;*\n*" TAG "GCG_PIR" APPEND "journal" MATCH " P1;*" SRT "P1;*=*" TAG "GCG_PIR" WRITE "description" MATCH " A;Title: *" SRT "* *=*2" TAG "GCG_PIR" APPEND "title" MATCH " A;Cross-references: *" SRT "* *=*2" TAG "GCG_PIR" APPEND "cross_ref" MATCH " A;Experimental source: *" SRT "* *=*2" TAG "GCG_PIR" APPEND "strain" MATCH " C;Superfamily: *" SRT "* *=*2" APPEND "gene_prod" MATCH " C;Keywords: *" SRT "* *=*2" TAG "GCG_PIR" APPEND "keywords" SEQUENCEAFTER "sequence*" SEQUENCESRT "*Check*..*=*3" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND "}" CREATE_ACC_FROM_SEQUENCE END "}" ./arbsrc_9167/lib/import/.gcg_rsf_transl.ift0000644012664100000130000000354011225131741020775 0ustar arb_buildcodersAUTODETECT "!!RICH_SEQUENCE*" #Global settings: KEYWIDTH 14 FILETAG rsf BEGIN " LOCUS*" MATCH " LOCUS *" SRT "* *=*1" WRITE "name" MATCH " ACCESSION *" SRT "\"*\"=*1:No information=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH " SOURCE *" TAG "GCG_RSF" APPEND "source" MATCH " DEFINITION *" SRT "* * *=*1 *2" WRITE "full_name" MATCH " DEFINITION *" WRITE "definition" MATCH " ORGANISM *" SRT "*|*=*2" TAG "GCG_RSF" WRITE "tax" MATCH " VERSION *" SRT "*|*=*1" TAG "GCG_RSF" WRITE "version" MATCH " AUTHORS *" SRT "No information*=" TAG "GCG_RSF" APPEND "author" MATCH " TITLE *" SRT "No information*=" TAG "GCG_RSF" APPEND "title" MATCH " JOURNAL *" SRT "No information*=" TAG "GCG_RSF" APPEND "journal" MATCH " source*strain*" SRT "*/strain\=\"*\"*=*2" WRITE "strain" MATCH " source*clone*" SRT "*/clone\=\"*\"*=*2" TAG "GCG_RSF" WRITE "clone" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "GCG_RSF" WRITE "description" MATCH " source*specific_host*" SRT */specific_host\=\"*\"*=*2" TAG "GCG_RSF" APPEND "host" MATCH " source*isolate*" SRT "*/isolate\=\"*\"*=*2" WRITE "strain" MATCH " KEYWORDS *" SRT ";=" TAG "GCG_RSF" APPEND "keywords" SEQUENCEAFTER "sequence*" SEQUENCESRT "*Check*..*=*3" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND "}" CREATE_ACC_FROM_SEQUENCE END "}" ./arbsrc_9167/lib/import/.gcg_seq_only.ift0000644012664100000130000000047511225131741020455 0ustar arb_buildcoders #Global settings: KEYWIDTH 0 BEGIN "*Type* .." MATCH "*Type*" SRT "* *=*1:*.*=*1" WRITE "name" SEQUENCEAFTER "*" SEQUENCESRT "" SEQUENCECOLUMN 10 SEQUENCEEND "//" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.gde_flat.ift0000644012664100000130000000046611225131741017551 0ustar arb_buildcodersAUTODETECT "#*" #Global settings: KEYWIDTH 1 BEGIN "#??*" MATCH "#*" SRT "* *=*1:*(*=*1" WRITE "name" SEQUENCEAFTER "*" SEQUENCESRT "" SEQUENCEEND "#*" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.gde.ift0000644012664100000130000000056211225131741016540 0ustar arb_buildcodersAUTODETECT "{\nname*" #Global settings: KEYWIDTH 4 FILETAG GDE BEGIN "{\n*" MATCH "name *" WRITE "name" MATCH "sequence-ID *" WRITE "acc" SEQUENCEAFTER "sequence" SEQUENCESRT "\"=" SEQUENCEEND "\"" CREATE_ACC_FROM_SEQUENCE # DONT_GEN_NAMES END "}" ./arbsrc_9167/lib/import/genbank_multi.ift0000644012664100000130000000031111213220015020520 0ustar arb_buildcodersAUTODETECT "LOCUS *\nORIGIN*" SYSTEM "perl $ARBHOME/PERL_SCRIPTS/ARBTOOLS/IFTHELP/genbank_gen_long_features.pl < $< > $>" NEW_FORMAT "lib/import/nonformats/longgenbank.ift" ./arbsrc_9167/lib/import/.genbank_old.ift0000644012664100000130000000650711225131741020251 0ustar arb_buildcodersAUTODETECT "LOCUS *\nORIGIN*" #Global settings: KEYWIDTH 12 FILETAG GB BEGIN "LOCUS*" MATCH "LOCUS *" SRT "* *=*1" WRITE "name" MATCH "ACCESSION *" SRT "\"*\"=*1:No information=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "SOURCE *" TAG "GB" APPEND "source" MATCH " source*organism=*" SRT "*organism\=\"*\"*=*2" WRITE "full_name" MATCH " ORGANISM *" SRT "*|*=*1" TAG "GB" WRITE "db_name" MATCH " AUTHORS *" SRT "No information*=" TAG "GB" APPEND "author" MATCH " TITLE *" SRT "No information*=" TAG "GB" APPEND "title" MATCH " JOURNAL *" SRT "No information*=" TAG "GB" APPEND "journal" MATCH " MEDLINE *" SRT "No information*=" TAG "GB" APPEND "medline_id" MATCH " source*strain=*" SRT "*strain\=\"*\"*=*2" WRITE "strain" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" WRITE "description" MATCH " Protein*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" APPEND "description" MATCH " Protein*EC_number*" SRT "*/EC_number\=\"*\"*=*2" TAG "GB" APPEND "EC_number" MATCH " Protein*product=*" SRT "*/product\=\"*\"*=*2" TAG "GB" APPEND "gene_prod" MATCH "KEYWORDS *" TAG "GB" WRITE "keywords" MATCH " CDS*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" APPEND "description" MATCH " CDS*EC_number*" SRT "*/EC_number\=\"*\"*=*2" TAG "GB" APPEND "EC_number" MATCH " CDS*product=*" SRT "*/product\=\"*\"*=*2" TAG "GB" APPEND "gene_prod" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" WRITE "description" MATCH " source*clone*" SRT "*/clone\=\"*\"*=*2" TAG "GB" WRITE "clone" SEQUENCEAFTER "ORIGIN*" SEQUENCESRT " =:~=.:*Check*..=" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.genbank_prot_from_translation_field.ift0000644012664100000130000000644711225131741025266 0ustar arb_buildcodersAUTODETECT "LOCUS *\nORIGIN*" #Global settings: KEYWIDTH 12 FILETAG GB BEGIN "LOCUS*" MATCH "LOCUS *" SRT "* *=*1" WRITE "name" MATCH "ACCESSION *" SRT "\"*\"=*1:No information=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "SOURCE *" TAG "GB" APPEND "source" MATCH " source*organism=*" SRT "*organism\=\"*\"*=*2" WRITE "full_name" MATCH " ORGANISM *" SRT "*|*=*1" TAG "GB" WRITE "db_name" MATCH " AUTHORS *" SRT "No information*=" TAG "GB" APPEND "author" MATCH " TITLE *" SRT "No information*=" TAG "GB" APPEND "title" MATCH " JOURNAL *" SRT "No information*=" TAG "GB" APPEND "journal" MATCH " MEDLINE *" SRT "No information*=" TAG "GB" APPEND "medline_id" MATCH " source*strain=*" SRT "*strain\=\"*\"*=*2" WRITE "strain" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" WRITE "description" MATCH " Protein*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" APPEND "description" MATCH " Protein*EC_number*" SRT "*/EC_number\=\"*\"*=*2" TAG "GB" APPEND "EC_number" MATCH " Protein*product=*" SRT "*/product\=\"*\"*=*2" TAG "GB" APPEND "gene_prod" MATCH "KEYWORDS *" TAG "GB" WRITE "keywords" MATCH " CDS*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" APPEND "description" MATCH " CDS*EC_number*" SRT "*/EC_number\=\"*\"*=*2" TAG "GB" APPEND "EC_number" MATCH " CDS*product=*" SRT "*/product\=\"*\"*=*2" TAG "GB" APPEND "gene_prod" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" WRITE "description" MATCH " source*clone*" SRT "*/clone\=\"*\"*=*2" TAG "GB" WRITE "clone" SEQUENCESTART "*translation=*" SEQUENCESRT "*/translation\=\"=*:\"*=" SEQUENCECOLUMN 21 SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/genbank_silva.ift0000644012664100000130000001021111213220015020504 0ustar arb_buildcoders#Modified by FOG, 17.05.2009# #type INT for start, stop and insdc added# #some changes to fields# AUTODETECT "LOCUS *\nORIGIN*" #Global settings: KEYWIDTH 12 FILETAG GB BEGIN "LOCUS*" MATCH "LOCUS *" SRT "* *=*1" WRITE "name" MATCH "LOCUS *" SRT "* *=*1" WRITE "id" MATCH "ACCESSION *" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "PROJECT" WRITE_INT "insdc" MATCH "LOCUS *" SRT " = : = : = : = :* * * * * * *=*7" WRITE "date" MATCH "DEFINITION" TAG "GB" WRITE "description" MATCH " ORGANISM *" SRT "* * *=*1 *2:*|*=*1" WRITE "full_name" MATCH " ORGANISM *" SRT "*|*=*2" TAG "GB" WRITE "tax_embl" MATCH " ORGANISM *" SRT "* * *=*1 *2:*|*=*1" TAG "GB" WRITE "tax_embl_name" MATCH "REFERENCE *(bases*" SRT "*(*=*2:bases=:to=-: =:)=" APPEND "nuc_rp" MATCH " PUBMED *" APPEND "pubmed_id" MATCH " AUTHORS *" APPEND "author" MATCH " TITLE *" APPEND "title" MATCH " JOURNAL *" APPEND "journal" MATCH " JOURNAL *Submitted*" SRT "*Submitted*=*2:\(*\)*=*1" WRITE "submit_date" MATCH " source*" SRT "*source*=*2: =:*|*=*1" WRITE "nuc_region" MATCH "*/clone*" SRT "*clone*=*2:\"=:\==:*|*=*1" APPEND "clone" MATCH "*/db_xref="taxon*" SRT "*db_xref*=*2:*\:*=*2:\"=:\==:*|*=*1" TAG "GB" APPEND "tax_xref_embl" MATCH "*/isolate=*" SRT "*isolate*=*2:\"=:\==:*|*=*1" APPEND "isolate" MATCH "*/strain*" SRT "*/strain*=*2:\"=:\==:*|*=*1" APPEND "strain" MATCH "*/isolation_source*" SRT "*/isolation_source*=*2:\"=:\==:*|*=*1" APPEND "isolation_source" MATCH "*/country*" SRT "*/country*=*2:\"=:\==:*|*=*1" APPEND "country" MATCH "*/lat_lon*" SRT "*/lat_lon*=*2:\"=:\==:*|*=*1" APPEND "lat_lon" MATCH "*/specimen_voucher*" SRT "*/specimen_voucher*=*2:\"=:\==:*|*=*1" APPEND "specimen_voucher" MATCH "*/specific_host*" SRT "*/specific_host*=*2:\"=:\==:*|*=*1" APPEND "specific_host" MATCH "*/collected_by*" SRT "*/collected_by*=*2:\"=:\==:*|*=*1" APPEND "collected_by" MATCH "*/collection_date*" SRT "*/collection_date*=*2:\"=:\==:*|*=*1" APPEND "collection_date" MATCH " rRNA*" SRT "*..*=*1:<=:>=" WRITE_INT "start" MATCH " rRNA *" SRT "*..*=*2:<=:>=:*|*=*1" WRITE_INT "stop" MATCH " rRNA*/gene*" SRT "*gene*=*2:\==:"=:*|*=*1" APPEND "gene" MATCH " rRNA*/product*" SRT "*product*=*2:\==:"=:*|*=*1" APPEND "product" SEQUENCEAFTER "ORIGIN*" SEQUENCESRT " =:~=.:*Check*..=" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.genprot.ift0000644012664100000130000000103711225131741017455 0ustar arb_buildcodersAUTODETECT ">gi|*" #Global settings: KEYWIDTH 0 FILETAG GP MATCH ">*" SRT "*&*=*2" WRITE "full_name" MATCH "<*" SRT "*&*=*2" APPEND "full_name" MATCH ">gi|*" SRT "????*|*=*1" WRITE "acc" MATCH ">gi|*" SRT ">gi|=" WRITE "def" MATCH "<*" SRT ">=" APPEND "def" BEGIN ">*" SEQUENCEAFTER "*" SEQUENCESRT ">*&* *=*3:<*&* *=*3: aa=" SEQUENCEACI "remove("0123456789 ")" SEQUENCEEND ">gi*" END "/END/" ./arbsrc_9167/lib/import/.licor_sequencer.ift0000644012664100000130000000037411225131741021164 0ustar arb_buildcodersAUTODETECT "*Model 4000*IMAGE INFORMATION*\n..*" #Global settings: KEYWIDTH 1 BEGIN "*IMAGE INFORMATION*" SEQUENCEAFTER ".." SEQUENCEEND "//" END "//" # DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE ./arbsrc_9167/lib/import/.licor_wl.ift0000644012664100000130000000206711225131741017615 0ustar arb_buildcodersAUTODETECT "*Model 4000*Sample Notepad*\n..*" #Global settings: KEYWIDTH 0 FILETAG "WL" BEGIN "*Sample Notepad*" MATCH " organism: *" SRT "organism\: *=*1" WRITE "full_name" MATCH " strain: *" TAG "WL" SRT "strain\: *=*1" WRITE "strain" MATCH " source: *" TAG "WL" SRT "source\: *=*1" WRITE "lab" MATCH " gene: *" TAG "WL" SRT "gene\: *=*1" WRITE "gene" MATCH " primer: *" TAG "WL" SRT "primer\: *=*1" WRITE "primer" SEQUENCEAFTER ".." SEQUENCEEND "//" END "//" CREATE_ACC_FROM_SEQUENCE ./arbsrc_9167/lib/import/.licor_wl_new.ift0000644012664100000130000000204711225131741020464 0ustar arb_buildcodersAUTODETECT "*Model 4000*Sample Notepad*\n..*" #Global settings: KEYWIDTH 0 FILETAG "WL" BEGIN "*Sample Notepad*" MATCH " organism: *" SRT "organism\: *=*1" WRITE "full_name" MATCH " strain: *" TAG "WL" SRT "strain\: *=*1" WRITE "strain" MATCH " source: *" TAG "WL" SRT "source\: *=*1" WRITE "lab" MATCH " gene: *" TAG "WL" SRT "gene\: *=*1" WRITE "gene" MATCH " primer: *" TAG "WL" SRT "primer\: *=*1" WRITE "primer" SEQUENCEAFTER ".." SEQUENCEEND "//" END "//" CREATE_ACC_FROM_SEQUENCE ./arbsrc_9167/lib/import/.nexus.ift0000644012664100000130000000027311225131741017142 0ustar arb_buildcodersAUTODETECT "#NEXUS*Matrix*" SYSTEM "cat $< |tr -s ' ' >$>;arb_replace '*Matrix=' $>; arb_replace -l '*>*=>*1\nSQ *2' $>" NEW_FORMAT "lib/import/nonformats/nexus.ift" ./arbsrc_9167/lib/import/nonformats/dssp_2nd_struct.ift0000644012664100000130000000221711225131741023230 0ustar arb_buildcoders #Global settings: KEYWIDTH 1 BEGIN "==== Secondary Structure Definition*" MATCH "PDB_ID *" SRT "* *=*2_pfold" WRITE "name" MATCH "PDB_ID *" SRT "* *=*2:*_*=*1 Chain *2:*=*1 (Secondary Structure); " WRITE "full_name" MATCH "HEADER *" SRT "* *=*2; " APPEND "full_name" MATCH "COMPND *" SRT "* *=*2" APPEND "full_name" MATCH "SOURCE *" SRT "* *=*2" WRITE "tax" MATCH "==== Secondary Structure Definition *" SRT "" WRITE "remark" MATCH "REFERENCE *" SRT "* *=\nDSSP program by\: *2" APPEND "remark" MATCH "DATE *" SRT "* *=*2" WRITE "date" MATCH "AUTHOR *" SRT "* *=*2" WRITE "author" SEQUENCESTART "SECSTRUCT *" SEQUENCESRT "* *=*2" SEQUENCECOLUMN 0 SEQUENCEEND "SEQUENCE*" DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/nonformats/dssp_all.ift0000644012664100000130000000230511225131741021707 0ustar arb_buildcoders #Global settings: KEYWIDTH 1 BEGIN "==== Secondary Structure Definition*" MATCH "PDB_ID *" SRT "* *=*2" WRITE "name" MATCH "PDB_ID *" SRT "* *=*2:*_*=*1 Chain *2:*=*1; " WRITE "full_name" MATCH "HEADER *" SRT "* *=*2; " APPEND "full_name" MATCH "COMPND *" SRT "* *=*2" APPEND "full_name" MATCH "SOURCE *" SRT "* *=*2" WRITE "tax" MATCH "==== Secondary Structure Definition *" SRT "" WRITE "remark" MATCH "REFERENCE *" SRT "* *=\nDSSP program by\: *2" APPEND "remark" MATCH "DATE *" SRT "* *=*2" WRITE "date" MATCH "AUTHOR *" SRT "* *=*2" WRITE "author" MATCH "SECSTRUCT *" SRT "* *=*2" WRITE "sec_struct" SEQUENCEAFTER "SEQUENCE" SEQUENCESRT "" SEQUENCECOLUMN 0 SEQUENCEEND "====*" DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/nonformats/dssp_sequence.ift0000644012664100000130000000216511225131741022753 0ustar arb_buildcoders #Global settings: KEYWIDTH 1 BEGIN "==== Secondary Structure Definition*" MATCH "PDB_ID *" SRT "* *=*2_seq" WRITE "name" MATCH "PDB_ID *" SRT "* *=*2:*_*=*1 Chain *2:*=*1 (Sequence); " WRITE "full_name" MATCH "HEADER *" SRT "* *=*2; " APPEND "full_name" MATCH "COMPND *" SRT "* *=*2" APPEND "full_name" MATCH "SOURCE *" SRT "* *=*2" WRITE "tax" MATCH "==== Secondary Structure Definition *" SRT "" WRITE "remark" MATCH "REFERENCE *" SRT "* *=\nDSSP program by\: *2" APPEND "remark" MATCH "DATE *" SRT "* *=*2" WRITE "date" MATCH "AUTHOR *" SRT "* *=*2" WRITE "author" SEQUENCEAFTER "SEQUENCE" SEQUENCESRT "" SEQUENCECOLUMN 0 SEQUENCEEND "====*" DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/nonformats/feature_table.ift0000644012664100000130000002176511222657507022735 0ustar arb_buildcoders# This file is no complete import-filter. # It is included from longgenbank.ift and longebi.ift # # includer has to # set 't' to 'GB' or 'EBI' (used for tags) # set 'u' to 'gb' or 'embl' (used as field name suffix) IFNOTSET t "feature_table.ift expects SETGLOBAL 't'" IFNOTSET u "feature_table.ift expects SETGLOBAL 'u'" # for debugging purposes you may like to uncomment the next line (see also EOF) # AUTOTAG "ft" MATCH "FT source*" SRT "*source*=*2: =" # TAG "$t" APPEND "nuc_region" MATCH "FTx source *mol_type*" SRT "*mol_type*=*2:\==:\"=:" # TAG "$t" APPEND "mol_type" MATCH "FTx source *citation*" SRT "*citation*=*2:\"=:\==" # TAG "$t" APPEND "biblio" MATCH "FTx source *cell_line*" SRT "*cell_line*=*2:\"=:\==" # TAG "$t" APPEND "cell_line" MATCH "FTx source *cell_type*" SRT "*cell_type*=*2:\"=:\==" # TAG "$t" APPEND "cell_type" MATCH "FTx source *clone*" SRT "*clone*=*2:\"=:\==" # TAG "$t" APPEND "clone" MATCH "FTx source *clone_lib*" SRT "*clone_lib*=*2:\"=:\==" # TAG "$t" APPEND "clone_lib" MATCH "FTx source *cultivar*" SRT "*cultivar*=*2:\"=:\==" # TAG "$t" APPEND "cultivar" MATCH "FTx source *db_xref=*" SRT "*db_xref*=*2:\"=:\==" TAG "$t" APPEND "xref_1" MATCH "FTx source *db_xref="taxon*" SRT "*db_xref*=*2:*\:*=*2:\"=:\==" # TAG "$t" # APPEND "tax_xref_embl" # APPEND "tax_xref_gb" # set tax_xref_embl or tax_xref_gb (see definition in includer) APPEND "tax_xref_$u" MATCH "FTx source *lab_host=*" SRT "*lab_host*=*2:\"=:\==" # TAG "$t" APPEND "host" MATCH "FTx source *isolate=*" SRT "*isolate*=*2:\"=:\==" # TAG "$t" APPEND "isolate" MATCH "FTx source *strain*" SRT "*/strain*=*2:\"=:\==" # TAG "$t" APPEND "strain" MATCH "FTx source *isolation_source*" SRT "*/isolation_source*=*2:\"=:\==" # TAG "$t" APPEND "isolation_source" MATCH "FTx source *country*" SRT "*/country*=*2:\"=:\==" # TAG "$t" APPEND "country" MATCH "FTx source *map*" SRT "*/map*=*2:\"=:\==" # TAG "$t" APPEND "map" MATCH "FTx source *lat_lon*" SRT "*/lat_lon*=*2:\"=:\==" # TAG "$t" APPEND "lat_lon" MATCH "FTx source *note*" SRT "*/note*=*2:\"=:\==" TAG "$t" APPEND "note" MATCH "FTx source *organelle*" SRT "*/organelle*=*2:\"=:\==" # TAG "$t" APPEND "organelle" MATCH "FTx source *plasmid*" SRT "*/plasmid*=*2:\"=:\==" # TAG "$t" APPEND "plasmid" MATCH "FTx source *serotype*" SRT "*/serotype*=*2:\"=:\==" # TAG "$t" APPEND "serotype" MATCH "FTx source *serovar*" SRT "*/serovar*=*2:\"=:\==" # TAG "$t" APPEND "serovar" MATCH "FTx source *sub_species*" SRT "*/sub_species*=*2:\"=:\==" # TAG "$t" APPEND "subspec" MATCH "FTx source *specimen_voucher*" SRT "*/specimen_voucher*=*2:\"=:\==" # TAG "$t" APPEND "specimen_voucher" MATCH "FTx source *specific_host*" SRT "*/specific_host*=*2:\"=:\==" # TAG "$t" APPEND "specific_host" MATCH "FTx source *tissue_type*" SRT "*/tissue_type*=*2:\"=:\==" # TAG "$t" APPEND "tissue" MATCH "FTx source *variety*" SRT "*/variety*=*2:\"=:\==" # TAG "$t" APPEND "variety" MATCH "FTx source *collected_by*" SRT "*/collected_by*=*2:\"=:\==" # TAG "$t" APPEND "collected_by" MATCH "FTx source *collection_date*" SRT "*/collection_date*=*2:\"=:\==" # TAG "$t" APPEND "collection_date" MATCH "FT CDS*" SRT "<=:>=:*CDS*..*=*2: =" WRITE_INT "start" MATCH "FT CDS*" SRT "<=:>=:*CDS*..*=*3: =" WRITE_INT "stop" MATCH "FT CDS*" SRT "<=:>=:*CDS*=*2: =" SETVAR z IFNOTSET z "No CDS location seen" # TAG "$t" APPEND "cds_position" MATCH "FTx CDS *allele*" SRT "*allele*=*2:\"=:\==" # TAG "$t" APPEND "allele" MATCH "FTx CDS *citation*" SRT "*citation*=*2:\"=:\==" # TAG "$t" APPEND "citation" MATCH "FTx CDS *codon_start*" SRT "*codon_start*=*2:\"=:\==" # TAG "$t" APPEND "codon_start" MATCH "FTx CDS *db_xref*" SRT "*db_xref*=*2:\"=:\==" TAG "$t" APPEND "xref_2" MATCH "FTx CDS *function*" SRT "*function*=*2:\"=:\==" # TAG "$t" APPEND "function" MATCH "FTx CDS *EC_number*" SRT "*EC_number*=*2:\"=:\==" # TAG "$t" APPEND "ec_number" MATCH "FTx CDS *transl_table*" SRT "*transl_table*=*2:\"=:\==" # TAG "$t" APPEND "transl_table" MATCH "FTx CDS *gene*" SRT "*gene*=*2:\"=:\==" # TAG "$t" APPEND "gene" MATCH "FTx CDS *product*" SRT "*product*=*2:\"=:\==" # TAG "$t" APPEND "product" MATCH "FTx CDS *operon*" SRT "*operon*=*2:\"=:\==" # TAG "$t" APPEND "operon" MATCH "FTx CDS *protein_id*" SRT "*protein_id*=*2:\"=:\==" # TAG "$t" APPEND "protein_id" #MATCH "FTx CDS *translation*" # SRT "*translation*=*2:\"=:\==" # TAG "$t" # APPEND "translation" MATCH "FT rRNA*" SRT "*rRNA*=*2: =:*..*=*1:<=:>=" WRITE_INT "start" MATCH "FT rRNA *" SRT "*rRNA*=*2: =:*..*=*2:<=:>=" WRITE_INT "stop" MATCH "FTx rRNA *gene*" SRT "*gene*=*2:\==:"=" # TAG "$t" APPEND "gene" MATCH "FTx rRNA *product*" SRT "*product*=*2:\==:"=" # TAG "$t" APPEND "product" #MATCH "FT *" # SRT "FT *=*" # APPEND "ebi_comment" # AUTOTAG ./arbsrc_9167/lib/import/nonformats/longebi.ift0000644012664100000130000001322411222657507021541 0ustar arb_buildcoders# Modified by FOG, 27.06.2009 # mostly synchronized with ebi_silva KEYWIDTH 5 FILETAG "EBI" BEGIN "ID*" # set variables used by feature table SETGLOBAL t EBI SETGLOBAL u embl # uncomment next line to tag ALL fields with [EBI] # AUTOTAG "EBI" MATCH "ID *" SRT "* *=*1" WRITE "name" MATCH "ID *" SRT "*;*=*1" TAG "EBI" WRITE "id" MATCH "ID *" SRT "*; SV *;*=*2" WRITE_INT "version" #MATCH "ID *" # SRT "*;*;*;*;*;*;* * BP.=*8" # TAG "EBI" # WRITE "db_nuc" MATCH "AC *" ACI "extract_words("0123456789",2.0)" WRITE "acc" #MATCH "AC *" # TAG "EBI" # ACI "extract_words("0123456789",4.0)" # WRITE "db_acc" MATCH "PR *" SRT "PR *=*:*\:*=*2:;=" WRITE_INT "insdc" MATCH "DT *Created*" SRT "DT *=*:* \(*=*1;" # TAG "EBI" APPEND "date" MATCH "DT *updated*" SRT "DT *=*:* \(*=*1" # TAG "EBI" APPEND "date" MATCH "DE *" SRT "DE *=*:;=" # TAG "EBI" APPEND "description" MATCH "KW *" SRT "KW *=*" # TAG "EBI" APPEND "keywords" MATCH "OS *" SRT "OS *=*:* * *=*1 *2" WRITE "full_name" MATCH "OS *" SRT "OS *=*" TAG "EBI" WRITE "db_name" MATCH "OS *." SRT "OS *=*:.=" WRITE "tax_embl_name" #MATCH "OC *" # SRT "OC *=*" # TAG "EBI" # APPEND "tax" MATCH "OC *" SRT "OC *=*" APPEND "tax_embl" MATCH "OG *" SRT "OG *=*" # TAG "EBI" APPEND "organelle" MATCH "RN *" SRT "RN *=*:[=:]=" SETVAR x IFNOTSET x "No RN entry seen" # TAG "EBI" # APPEND "num_bib" MATCH "RP *" SRT "RP *=*:*=[$x]\: *" # TAG "EBI" APPEND "nuc_rp" MATCH "RC *" SRT "RC *=*:*=[$x]\: *" TAG "EBI" APPEND "author_com_1" MATCH "RX MEDLINE*" SRT "*MEDLINE*=*2:;=: =:.=" # SRT "*MEDLINE*=*2:;=: =:.=:*=[$x]\: *" TAG "EBI" APPEND "medline_id" MATCH "RX DOI*" SRT "*DOI*=*2:;=: =:.=" # SRT "*DOI*=*2:;=: =:*=[$x]\: *" # TAG "EBI" APPEND "publication_doi" MATCH "RX PUBMED*" SRT "*PUBMED*=*2:;=: =:.=" # SRT "*PUBMED*=*2:;=: =:.=:*=[$x]\: *" # TAG "EBI" APPEND "pubmed_id" MATCH "RG *" SRT "RG *=*:*=[$x]\: *" TAG "EBI" APPEND "refgrp" MATCH "RA *" SRT "RA *=*:;=:*=[$x]\: *" # TAG "EBI" APPEND "author" MATCH "RT *" SRT "RT *=*:;=:"=:*=[$x]\: *" # TAG "EBI" APPEND "title" MATCH "RL *)." SRT "RL *=*:*=[$x]\: *" # TAG "EBI" APPEND "journal" MATCH "RL *Submitted*" SRT "RL *=*:Submitted=:\(*\)*=*1" # TAG "EBI" WRITE "submit_date" MATCH "RL *" SRT "*Submitted*bases.=:*.\n*=*2" # TAG "EBI" APPEND "submit_author" MATCH "RL (er)*" SRT "RL (er)*=*" # TAG "EBI" APPEND "e_pub" MATCH "DR *" SRT "DR *; *=*1\: *2:;=" TAG "EBI" APPEND "ref_1" MATCH "CC *" SRT "CC *=*" TAG "EBI" APPEND "author_com_2" # ----------------------------------------------------------------- # Feature table (used by longebi.ift and longgenbank.ift!) INCLUDE "feature_table.ift" # --------------------------------------------------------------- SEQUENCEAFTER "SQ*" SEQUENCESRT "*Check*..*=*3" SEQUENCEACI "remove("0123456789 /")" SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/nonformats/longgenbank.ift0000644012664100000130000001173211222657507022411 0ustar arb_buildcodersAUTODETECT "LOCUS *\nORIGIN*" KEYWIDTH 12 FILETAG GB BEGIN "LOCUS*" # set variables used by feature table SETGLOBAL t GB SETGLOBAL u gb # uncomment next line to tag ALL fields with [GB] # AUTOTAG "GB" MATCH "LOCUS *" SRT "* *=*1" WRITE "name" MATCH "LOCUS *" SRT "* *=*1" TAG "GB" WRITE "id" #MATCH "LOCUS *" # SRT " = : = : = : = :* * *=*2" # TAG "GB" # WRITE "db_nuc" MATCH "ACCESSION *" ACI "extract_words("0123456789",2.0)" WRITE "acc" #MATCH "ACCESSION *" # ACI "extract_words("0123456789",4.0)" # TAG "GB" # WRITE "db_acc" MATCH "PROJECT" # TAG "GB" WRITE_INT "insdc" MATCH "LOCUS *" SRT " = : = : = : = :* * * * * * *=*7" # TAG "GB" WRITE "date" MATCH "DEFINITION" # TAG "GB" WRITE "description" MATCH "KEYWORDS *" # TAG "GB" APPEND "keywords" MATCH " ORGANISM *" SRT "* * *=*1 *2:*|*=*1" WRITE "full_name" MATCH " ORGANISM *" # TAG "GB" SRT "*|*=*1" WRITE "tax_gb_name" MATCH " ORGANISM *" # TAG "GB" SRT "*|*=*2" WRITE "tax_gb" MATCH "REFERENCE *" SRT "* *=*1" SETVAR x IFNOTSET x "No REFERENCE seen" # TAG "GB" # APPEND "num_bib" MATCH "REFERENCE *" SRT "*(*=*2:bases=:to=-: =:)=:*=[$x]\: *" # TAG "GB" APPEND "nuc_rp" MATCH " MEDLINE *" # SRT "*=[$x]\: *" # TAG "GB" APPEND "medline_id" MATCH " PUBMED *" # SRT "*=[$x]\: *" # TAG "GB" APPEND "pubmed_id" MATCH " CONSRTM *" SRT "*=[$x]\: *" TAG "GB" APPEND "refgrp" MATCH " AUTHORS *" SRT "*=[$x]\: *" # TAG "GB" APPEND "author" MATCH " TITLE *" SRT "*=[$x]\: *" # TAG "GB" APPEND "title" MATCH " JOURNAL *" SRT "*=[$x]\: *" # TAG "GB" APPEND "journal" MATCH " JOURNAL *Submitted*" SRT "*Submitted*=*2:\(*\)*=*1" # TAG "GB" WRITE "submit_date" MATCH " Protein*note*" SRT "*/note\=\"*\"*=*2" TAG "GB" APPEND "note" #MATCH " Protein*EC_number*" # SRT "*/EC_number\=\"*\"*=*2" # TAG "GB" # APPEND "EC_number" #MATCH " Protein*product=*" # SRT "*/product\=\"*\"*=*2" # TAG "GB" # APPEND "gene_prod" # maybe works with FT prefix (untested): # (@@@ put into feature table when tested) #MATCH "FTx*Protein*note*" # SRT "*/note\=\"*\"*=*2" # TAG "GB" # APPEND "description" #MATCH "FTx*Protein*EC_number*" # SRT "*/EC_number\=\"*\"*=*2" # TAG "GB" # APPEND "EC_number" #MATCH "FTx*Protein*product=*" # SRT "*/product\=\"*\"*=*2" # TAG "GB" # APPEND "gene_prod" # ----------------------------------------------------------------- # Feature table (used by longebi.ift and longgenbank.ift!) INCLUDE "feature_table.ift" # --------------------------------------------------------------- SEQUENCEAFTER "ORIGIN*" SEQUENCESRT " =:~=.:*Check*..=" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/nonformats/nexus.ift0000644012664100000130000000044111225131741021247 0ustar arb_buildcodersAUTODETECT "#NEXUS*Matrix*" #Global settings: KEYWIDTH 1 BEGIN ">*" MATCH ">*" SRT "* *=*1" WRITE "name" SEQUENCEAFTER "SQ*" SEQUENCESRT " =:?=." SEQUENCECOLUMN 0 SEQUENCEEND ">*" DONT_GEN_NAMES CREATE_ACC_FROM_SEQUENCE END ">;" ./arbsrc_9167/lib/import/.pir.ift0000644012664100000130000000354011225131741016572 0ustar arb_buildcodersAUTODETECT "??;*\n*Type: P*" #Global settings: #KEYWIDTH 1 FILETAG "PIR" MATCH "C;Accession: *" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "C;Species: *" SRT "* *=*2" WRITE "full_name" MATCH "C;Species: *" SRT "* *=*2" TAG "PIR" APPEND "db_name" MATCH "C;Date: *" SRT "* *=*2" TAG "PIR" APPEND "date" MATCH "R;*" SRT "R;*=*" TAG "PIR" APPEND "author" MATCH "R;*\n*" TAG "PIR" APPEND "journal" MATCH "A;Title: *" SRT "* *=*2" TAG "PIR" APPEND "title" MATCH "A;Cross-references: *" SRT "* *=*2" TAG "PIR" APPEND "cross_ref" MATCH "A;Experimental source: *" SRT "* *=*2" TAG "PIR" APPEND "strain" MATCH "C;Superfamily: *" SRT "* *=*2" TAG "PIR" APPEND "protein" MATCH "C;Keywords: *" SRT "* *=*2" TAG "PIR" APPEND "keywords" BEGIN "??;*" SEQUENCESTART "*Check:*" SEQUENCESRT "*Check*..*=*3" SEQUENCEACI "remove("0123456789. /")" SEQUENCEEND "/END/" CREATE_ACC_FROM_SEQUENCE END "/END/" ./arbsrc_9167/lib/import/rdp.ift0000644012664100000130000002111211222657507016514 0ustar arb_buildcoders# Modified by FOG 27.06.2009 # start, stop added # type INT for start, stop added # acc parsing changed # a lot of stuff removed # IFNOTSET added AUTODETECT "LOCUS s*\nORIGIN*" KEYWIDTH 12 FILETAG RDP BEGIN "LOCUS*" MATCH "LOCUS *" SRT "* *=*1" WRITE "name" MATCH "LOCUS *" SRT "* *=*1" TAG "RDP" WRITE "id" #MATCH "LOCUS *" # SRT " = : = : = : = :* * *=*2" # TAG "RDP" # WRITE "db_nuc" MATCH "LOCUS *" SRT " = : = : = : = :* * * * * * *=*7" TAG "RDP" WRITE "date" MATCH "DEFINITION *" TAG "RDP" WRITE "description" MATCH "COMMENT*Genbank*" SRT "*Genbank\: *=*2:|*=:(*=:;=:not submitted=" ACI "extract_words("0123456789",4.0)" WRITE "acc" #MATCH "COMMENT*Genbank*" # SRT "*Genbank\: *=*2:|*=:(*=:;=:not submitted=" # ACI "extract_words("0123456789",4.0)" # WRITE "db_acc" #MATCH "VERSION *" # TAG "RDP" # WRITE "version" MATCH "KEYWORDS" # TAG "RDP" WRITE "keywd_RDP" #MATCH "SOURCE *" # TAG "RDP" # WRITE "source" MATCH " ORGANISM *" # TAG "RDP" SRT "*|*=*1" WRITE "tax_rdp_name" MATCH " ORGANISM *" # TAG "RDP" SRT "*|*=*2" WRITE "tax_rdp" MATCH " ORGANISM *" SRT "* * *=*1 *2:*|*=*1" WRITE "full_name" MATCH "REFERENCE *" SRT "* *=*1" SETVAR x IFNOTSET x "No REFERENCE entry seen" # TAG "RDP" # APPEND "num_bib" MATCH "REFERENCE *" SRT "(=:)=:?*=(?)*" # TAG "RDP" APPEND "nuc_rp" MATCH " AUTHORS *" SRT "*=($x)\: *" # TAG "RDP" APPEND "author" MATCH " TITLE *" SRT "*=($x)\: *" # TAG "RDP" APPEND "title" MATCH " JOURNAL *" SRT "*=($x)\: *" # TAG "RDP" APPEND "journal" #MATCH " MEDLINE *" # SRT "*=($x)\: *" # TAG "RDP" # APPEND "medline_id" MATCH " source*cell_line*" SRT "*/cell_line\=\"*\"*=*2" TAG "RDP" WRITE "cell_line" MATCH " source*cell_type*" SRT "*/cell_type\=\"*\"*=*2" TAG "RDP" WRITE "cell_type MATCH " source*cultivar*" SRT "*/cultivar\=\"*\"*=*2" TAG "RDP" WRITE "cultivar" MATCH " source*db_xref*" SRT "*/db_xref\=\"*\"*=*2" TAG "RDP" WRITE "tax_xref_embl" MATCH " source*isolate*" SRT "*/isolate\=\"*\"*=*2" TAG "RDP" WRITE "isolate" MATCH " source*isolation_source*" SRT "*/isolation_source\=\"*\"*=*2" TAG "RDP" WRITE "isolation_source" MATCH " source*clone*" SRT "*/clone\=\"*\"*=*2" TAG "RDP" WRITE "clone" MATCH " source*map*" SRT "*/map\=\"*\"*=*2" TAG "RDP" WRITE "map" MATCH " source*organelle*" SRT "*/organelle\=\"*\"*=*2" TAG "RDP" WRITE "organelle" MATCH " source*plasmid*" SRT "*/plasmid\=\"*\"*=*2" TAG "RDP" WRITE "plasmid" MATCH " source*sero_type*" SRT "*/sero_type\=\"*\"*=*2" TAG "RDP" WRITE "serotype" MATCH " source*sero_var*" SRT "*/sero_var\=\"*\"*=*2" TAG "RDP" WRITE "serovar" MATCH " source*specimen_voucher*" SRT "*/specimen_voucher\=\"*\"*=*2" TAG "RDP" WRITE "voucher" MATCH " source*specific_host*" SRT "*/specific_host\=\"*\"*=*2" TAG "RDP" WRITE "host" MATCH " source*strain=*" # TAG "RDP" SRT "*strain\=\"*\"*=*2" WRITE "strain" MATCH " source*sub_species=*" TAG "RDP" SRT "*sub_species\=\"*\"*=*2" WRITE "subspec" MATCH " source*sub_strain=*" TAG "RDP" SRT "*sub_strain\=\"*\"*=*2" WRITE "substrain" MATCH " source*tissue_type=*" TAG "RDP" SRT "*tissue_type\=\"*\"*=*2" WRITE "tissue" MATCH " source*note*" SRT "*/note\=\"*\"*=*2" TAG "RDP" WRITE "note" MATCH " rRNA*db_xref*" SRT "*/db_xref\=\"*\"*=*2" TAG "RDP" APPEND "tax_xref_embl" MATCH " rRNA*evidence*" SRT "*/evidence\=\"*\"*=*2" TAG "RDP" APPEND "evidence" MATCH " rRNA*allele*" SRT "*/allele\=\"*\"*=*2" TAG "RDP" APPEND "allele" MATCH " rRNA*function*" SRT "*/function\=\"*\"*=*2" TAG "RDP" APPEND "function" MATCH " rRNA*citation*" SRT "*/citation\=\"*\"*=*2" TAG "RDP" APPEND "citation" MATCH " rRNA*gene*" SRT "*/gene\=\"*\"*=*2" TAG "RDP" APPEND "gene" MATCH " rRNA*map*" SRT "*/map\=\"*\"*=*2" TAG "RDP" APPEND "map" MATCH " rRNA*note*" SRT "*/note\=\"*\"*=*2" TAG "RDP" APPEND "note" MATCH " rRNA*operon*" SRT "*/operon\=\"*\"*=*2" TAG "RDP" APPEND "operon" MATCH " rRNA*product*" SRT "*/product\=\"*\"*=*2" TAG "RDP" APPEND "product" MATCH " rRNA*" SRT "*..*=*1:<=:>=" WRITE_INT "start" MATCH " rRNA *" SRT "*..*=*2:<=:>=:*|*=*1" WRITE_INT "stop" SEQUENCEAFTER "ORIGIN*" SEQUENCESRT " =:~=.:*Check*..=" SEQUENCEACI "remove("0123456789 /")" SEQUENCECOLUMN 0 SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/.rdp_old.ift0000644012664100000130000001055211225131741017424 0ustar arb_buildcodersAUTODETECT "LOCUS *\nORIGIN*" #Global settings: KEYWIDTH 12 FILETAG "RDP" BEGIN "LOCUS*" MATCH "LOCUS *" SRT "* *=*1" WRITE "name" MATCH "LOCUS *" SRT "* *=*1" TAG "RDP" WRITE "id" MATCH "LOCUS *" SRT "* RNA*RNA *=*3" TAG "RDP" WRITE "date" MATCH "ACCESSION *" SRT "\"*\"=*1:;=:No information=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "COMMENT*Corresponding GenBank entry*" SRT "*Corresponding GenBank entry\: *=*2:|*=:(*=:;=:not submitted=" ACI "extract_words("0123456789",4.0)" WRITE "acc" MATCH "SOURCE *" TAG "RDP" APPEND "source" MATCH "DEFINITION *" SRT " str. *=:biovar*=:.=" WRITE "full_name" MATCH "DEFINITION *" SRT " str. *=:biovar*=:.=" TAG "RDP" WRITE "db_name" MATCH " ORGANISM *" SRT "*|*=*1" WRITE "full_name" MATCH " ORGANISM *" SRT "*|*=*1" TAG "RDP" WRITE "db_name" MATCH " AUTHORS *" SRT "No information*=:?*=?1*1" TAG "RDP" APPEND "author" MATCH "COMMENT*auth line 2:*" SRT "*auth line 2\:*=*2:|*=" TAG "RDP" APPEND "author" MATCH "COMMENT*auth line 3:*" SRT "*auth line 3\:*=*2:|*=" TAG "RDP" APPEND "author" MATCH "COMMENT*auth line 4:*" SRT "*auth line 4\:*=*2:|*=" TAG "RDP" APPEND "author" MATCH " TITLE *" SRT "No information*=:?*=?1*1" TAG "RDP" APPEND "title" MATCH "COMMENT*title line 2:*" SRT "*title line 2\:*=*2:|*=" TAG "RDP" APPEND "title" MATCH "COMMENT*title line 3:*" SRT "*title line 3\:*=*2:|*=" TAG "RDP" APPEND "title" MATCH "COMMENT*title line 4:*" SRT "*title line 4\:*=*2:|*=" TAG "RDP" APPEND "title" MATCH " JOURNAL *" SRT "No information*=:Unpublished*=:?*=?1*1" TAG "RDP" APPEND "journal" MATCH "DEFINITION* str. *" SRT "*str. *=*2" TAG "RDP" APPEND "strain" MATCH "COMMENT*Culture collection\: *" SRT "*Culture collection\: *=*2:|*=" TAG "RDP" APPEND "strain" MATCH "COMMENT *strain=*" SRT "*strain\=\"*\"*=*2" TAG "RDP" APPEND "strain" MATCH "COMMENT *ref 2 =*" SRT "*ref 2*=ref 2*2" TAG "RDP" APPEND "reference" MATCH "COMMENT*biovar:*" SRT "*biovar\:*=*2:|*=" TAG "RDP" APPEND "source" MATCH "DEFINITION * biovar *" SRT "* biovar *=*2" TAG "RDP" APPEND "source" MATCH "COMMENT*IDENT:*" SRT "*IDENT\:*=*2:|*=" TAG "RDP" APPEND "id" SEQUENCEAFTER "ORIGIN*" SEQUENCESRT " =:~=.:*Check*..=" SEQUENCEACI "remove("0123456789 ")" # SEQUENCECOLUMN 10 SEQUENCEEND "//" CREATE_ACC_FROM_SEQUENCE END "//" ./arbsrc_9167/lib/import/universal_dna.ift0000644012664100000130000000036311222657507020566 0ustar arb_buildcodersAUTODETECT "NO AUTODETECTION" BEGIN "??????*" SEQUENCESTART "??*" SEQUENCEACI "extract_sequence("acgtunACGTUN-.",.7)|remove(" 0123456789")"; SEQUENCEEND "/END/" CREATE_ACC_FROM_SEQUENCE # DONT_GEN_NAMES END "/END/" ./arbsrc_9167/lib/import/.universal_lower_case_dna.ift0000644012664100000130000000036311225131741023035 0ustar arb_buildcodersAUTODETECT "NO AUTODETECTION" BEGIN "??????*" SEQUENCESTART "??*" SEQUENCEACI "extract_sequence("acgtunACGTUN-.",.7)|remove(" 0123456789")"; SEQUENCEEND "/END/" CREATE_ACC_FROM_SEQUENCE # DONT_GEN_NAMES END "/END/" ./arbsrc_9167/lib/inputMasks/basic_fields.mask0000644012664100000130000000210711213220012021307 0ustar arb_buildcodersARB-Input-Mask # This is a simple user-mask example. # What to edit @ITEMTYPE=Species # Title of the user-mask-window @TITLE=Basic fields # Spacing in window @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button @EDIT=1 # --------------------------- # The definition of the mask: @MASK_BEGIN TEXTFIELD( "Name (Fullname)", "full_name" ,63 ) TEXTFIELD( "Remark ", "remark2" , 70 ) TEXTFIELD( "Remark3 ", "remark3" , 70 ) RADIO( "Species class: ", "class2", 3, y, \ "other", "other-value", \ "artificial", "artificial-value", \ "real", Allow_Edit, 15, "real-value" ) TEXT("Publications:") TEXTFIELD( "Author ", "author" , 70 ) TEXTFIELD( "Title ", "title" , 70 ) TEXTFIELD( "Journal ", "journal" , 70 ) TEXT("") CHECKBOX( "Checked ", "mbi/checked", 0) TEXTFIELD("by", "mbi/who_checked", 10) TEXTFIELD("Date", "mbi/date", 20) CHECKBOX( "Aligned ","mbi/aligned",1) CHECKBOX( "String ","mbi/string",0) @MASK_END ./arbsrc_9167/lib/inputMasks/experiment_example.mask0000644012664100000130000000177111213220012022601 0ustar arb_buildcodersARB-Input-Mask # This is a simple user-mask example. # What to edit @ITEMTYPE=Experiment # Title of the user-mask-window @TITLE=Experiment: Example mask # Spacing in window @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button @EDIT=1 # --------------------------- # The definition of the mask: @MASK_BEGIN NEW_SECTION() TEXT("You are editing '") SELF() TEXT("'") NEW_SECTION() TEXT("Growth conditions:") TEXTFIELD("Medium ","medium/medium",30) TEXTFIELD("Reference","medium/reference",30) TEXTFIELD("Protocol ","medium/protocol",30) \ WWW("Open protocol","readdb(medium/protocol);\"/\";readdb(medium/medium)") NEW_SECTION() RADIO("Substrate ","substrate/substrate",3,H,"Glucose","Glucose","Lactose","Lactose","Other","") \ TEXTFIELD("","substrate/substrate",30) RADIO("Concentration ","substrate/concentration_mM",3,H,"10 mM","10","20 mM","20","Other","") \ TEXTFIELD("","substrate/concentration_mM",30) NEW_SECTION() @MASK_END ./arbsrc_9167/lib/inputMasks/expert.mask0000644012664100000130000000101511213220012020204 0ustar arb_buildcodersARB-Input-Mask # This is a simple user-mask example. # What to edit @ITEMTYPE=Species # Title of the user-mask-window @TITLE=Expert mask # Spacing in window @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button @EDIT=1 # --------------------------- # The definition of the mask: @MASK_BEGIN TEXT("Switch to..") CHANGEMASK("Test","test.mask") TEXT("You are editing") SELF() NEW_SECTION() TEXTFIELD("Expert name", "expert/name", 30) NUMFIELD( "Rating ", "expert/rating", 3, 1, 10) @MASK_END ./arbsrc_9167/lib/inputMasks/gene_test.mask0000644012664100000130000000136011213220012020655 0ustar arb_buildcodersARB-Input-Mask # This is a simple user-mask example. # What to edit @ITEMTYPE=Gene # Title of the user-mask-window @TITLE=Gene: Test mask # Spacing in window @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button @EDIT=1 # --------------------------- # The definition of the mask: @MASK_BEGIN TEXT("Switch to..") OPENMASK("Basic fields (illegal mask type)","basic_fields.mask") NEW_SECTION() TEXT("You are editing '") SELF() TEXT("'") NEW_SECTION() TEXTFIELD("Name ", "name" , 40) TEXTFIELD("Start ", "pos_start" , 15) TEXTFIELD("End ", "pos_stop" , 15) CHECKBOX("Complement","pos_complement",0) TEXTFIELD("Codon start","codon_start",1) TEXTFIELD("Note ","note",50) @MASK_END ./arbsrc_9167/lib/inputMasks/main_fields.mask0000644012664100000130000000116711213220012021157 0ustar arb_buildcodersARB-Input-Mask # New mask 'main_fields.mask' # What kind of item to edit: @ITEMTYPE=Species # Window title: @TITLE=Main species fields # Should mask appear in 'User mask' menu @HIDE=0 # Spacing in window: @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button? @EDIT=1 # Show 'edit enable' toggle? @EDIT_ENABLE=1 # Show 'marked' toggle? @SHOW_MARKED=1 # --------------------------- # The definition of the mask: @MASK_BEGIN NEW_SECTION() TEXT("ID ") SELF() TEXTFIELD("Full name ", "full_name", 30) TEXTFIELD("Acc.number", "acc", 30) OPENMASK("Sequence information","main_seq_info.mask") @MASK_END ./arbsrc_9167/lib/inputMasks/main_seq_info.mask0000644012664100000130000000144411213220012021512 0ustar arb_buildcodersARB-Input-Mask # New mask 'main_seq_info.mask' # What kind of item to edit: @ITEMTYPE=Species # Window title: @TITLE=Sequence information # Should mask appear in 'User mask' menu @HIDE=1 # Spacing in window: @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button? @EDIT=1 # Show 'edit enable' toggle? @EDIT_ENABLE=1 # Show 'marked' toggle? @SHOW_MARKED=1 # --------------------------- # The definition of the mask: @MASK_BEGIN TEXT("You are editing") SELF() NEW_SECTION() TEXTFIELD("G+C content ", "GC", 30) TEXTFIELD("G+C content (helical parts) ", "GCH", 30) TEXTFIELD("G+C content (non-helical parts)", "GCN", 30) NEW_SECTION() TEXT("See 'Species/Search/More functions/Modify fields'") TEXT("about how to calculate these fields") @MASK_END ./arbsrc_9167/lib/inputMasks/test.mask0000644012664100000130000000412211213220012017656 0ustar arb_buildcodersARB-Input-Mask # This is a simple user-mask example. # What to edit @ITEMTYPE=Species # Title of the user-mask-window @TITLE=Test mask (global) # Spacing in window @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button @EDIT=1 # --------------------------- # The definition of the mask: @MASK_BEGIN GLOBAL(MY_NAME,"Insert your name here") GLOBAL(MY_INITIALS,"??") LOCAL(LOC_VALUE,"Insert a value here") # ID(OOPS) TEXT("Switch to..") CHANGEMASK("Expert","expert.mask") \ OPENMASK("Basic fields","basic_fields.mask") \ NEW_SECTION() TEXT("You are editing") SELF() NEW_SECTION() SCRIPT(S_CHECKSUM,"sequence|\"ARB_\";checksum(exclude=.-n;toupper)") SHOW( "Current checksum ",S_CHECKSUM,20) TEXTFIELD("Stored checksum ","seqcheck",20) ID(CHECK) ASSIGN(CHECK,S_CHECKSUM,"Store current") NUMFIELD( "number (-10..10)", "number", 3, -10, 10) NEW_SECTION() TEXTFIELD( "Name (Fullname)", "full_name" ,63 ) NEW_SECTION() TEXT("Publications:") TEXTFIELD( "Author ", "author" , 30 ) ID(AUTHOR) ASSIGN(AUTHOR,MY_NAME,"Me!") \ OPENMASK("Edit user info","userInfo.mask") TEXTFIELD( "Title ", "title" , 70 ) TEXTFIELD( "Journal ", "journal" , 70 ) NEW_SECTION() TEXTFIELD( "Remark ", "remark" , 70 ) TEXTFIELD( "Remark2 ", "remark2" , 70 ) NEW_SECTION() CHECKBOX( "checked?", "mbi/checked", 0) RADIO( "Species class: ", "class", 1, y, \ "other", "", \ "artificial", "artificial-value", \ "real", "real-value" ) TEXTFIELD("", "class", 30) GLOBAL(DEF_PARTIAL_SEQ,"1") RADIO ("Partial sequence", "partial_seq", 2, x, "yes","1","no","0") ID(PARTIAL_SEQ) \ ASSIGN(PARTIAL_SEQ,DEF_PARTIAL_SEQ,"Default") \ ASSIGN(DEF_PARTIAL_SEQ,PARTIAL_SEQ,"Set as default") NEW_SECTION() TEXT("Some tests:") SHOW("My name ",MY_NAME,30) SHOW("My initials ",MY_INITIALS,5) SHOW("Local value ",LOC_VALUE,30) SHOW("Author (ID) ",AUTHOR,30) @MASK_END ./arbsrc_9167/lib/inputMasks/userInfo.mask0000644012664100000130000000070711213220012020476 0ustar arb_buildcodersARB-Input-Mask # This is a simple user-mask example. # What to edit @ITEMTYPE=Species # Title of the user-mask-window @TITLE=Global data # Spacing in window @X_SPACING=5 @Y_SPACING=3 # Show edit/reload button @EDIT=1 # --------------------------- # The definition of the mask: @MASK_BEGIN GLOBAL(MY_NAME,"Insert your name here") GLOBAL(MY_INITIALS,"??") SHOW("My name ",MY_NAME,30) SHOW("My initials",MY_INITIALS,5) @MASK_END ./arbsrc_9167/lib/LoVPBN.readme0000644012664100000130000000011411213220015016103 0ustar arb_buildcoders For information on how to upgrade LoVPBN.txt see ./help/vn_import.hlp ./arbsrc_9167/lib/LoVPBN.txt0000644012664100000130000216546311213220015015512 0ustar arb_buildcodersL i s t o f V a l i d l y P u b l i s h e d B a c t e r i a l N a m e s compiled by DSMZ-Deutsche Sammlung von Mikroorganismen und Zellkulturen GmbH, Braunschweig, Germany Oktober 2006 IJSEM = International Journal of Systematic Bacteriology (until 1999) / International Journal of Systematic and Evolutionary Microbiology E X A M P L E S Names without Acholeplasma modicum included in further additions the Approved Lists Numerical reference Acetomicrobium faecale 38:136 Validation list without asterisk in the IJSEM (Volume:page) Numerical reference Acidiphilium cryptum 31:331* Original publication with asterisk in the IJSEM (Volume:page) -> Acetobacter methanolicus -> basonym, Acidomonas methanolica reclassified as => Acetivibrio cellulosolvens => heterotypic synonym A. cellulolyticus 34:420* (subjective synonym) = Brevibacterium albidum = homotypic synonym Curtobacterium albidum (objective synonym) corrig. Streptococcus sanguis [sic] orthographic correction see: Streptococcus sanguinis (corrig.) ABIOTROPHIA Kawamura et al. 1995 45:802* Abiotrophia adiacens -> Granulicatella adiacens Abiotrophia balaenopterae -> Granulicatella balaenopterae Abiotrophia defectiva (Bouvet et al. 1989) Kawamura et al. 1995 45:802* Abiotrophia elegans -> Granulicatella elegans ACARICOMES Pukall et al. 2006 56:468* Acaricomes phytoseiuli Pukall et al. 2006 56:468* ACETANAEROBACTERIUM Chen and Dong 2004 54:2261* Acetanaerobacterium elongatum Chen and Dong 2004 54:2261 ACETITOMACULUM Greening and Leedle 1995 45:879 Acetitomaculum ruminis Greening and Leedle 1995 45:879 ACETIVIBRIO Patel et al. 1980 emend. Murray 1986 30:184* Acetivibrio cellulolyticus Patel et al. 1980 30:184* Acetivibrio cellulosolvens => Acetivibrio cellulolyticus Acetivibrio ethanolgignens Robinson and Ritchie 1981 31:335* Acetivibrio multivorans Tanaka et al. 1992 42:191 ACETOANAEROBIUM Sleat et al. 1985 35:10* Acetoanaerobium noterae Sleat et al. 1985 35:13* ACETOBACTER Beijerinck 1898 30:239 (AL) Acetobacter aceti (Pasteur 1864) Beijerinck 1898 30:239 (AL) Acetobacter aceti subsp. aceti see: Acetobacter aceti Acetobacter aceti subsp. liquefaciens -> Gluconacetobacter liquefaciens Acetobacter aceti subsp. orleanensis -> Acetobacter orleanensis Acetobacter aceti subsp. xylinum see: Acetobacter aceti subsp. xylinus Acetobacter aceti subsp. xylinus (corrig.) -> Gluconacetobacter xylinus Acetobacter albidus Gluconobacter albidus Acetobacter cerevisiae Cleenwerck et al. 2002 52:1557* Acetobacter cibinongensis Lisdiyanti et al. 2002 52:3 Acetobacter diazotrophicus -> Gluconacetobacter diazotrophicus Acetobacter estunensis (Carr 1958) Lisdiyanti et al. 2001 51:263 Acetobacter europaeus -> Gluconacetobacter europaeus Acetobacter hansenii -> Gluconacetobacter hansenii Acetobacter indonesiensis Lisdiyanti et al. 2001 51:263 Acetobacter intermedius -> Gluconacetobacter intermedius Acetobacter liquefaciens -> Gluconacetobacter liquefaciens Acetobacter lovaniensis (Frateur 1950) Lisdiyanti et al. 2001 51:263 Acetobacter malorum Cleenwerck et al. 2002 52:1557* Acetobacter methanolicus -> Acidomonas methanolica Acetobacter nitrogenifigens Dutta and Gachhui 2006 56:1902* Acetobacter oboediens -> Gluconacetobacter oboediens Acetobacter oeni Silva et al. 2006 56:23* Acetobacter orientalis Lisdiyanti et al. 2002 52:3 Acetobacter orleanensis (Henneberg 1906) Lisdiyanti et al. 2001 51:263 Acetobacter pasteurianus (Hansen 1879) Beijerinck and Folpmers 1916 30:239 (AL) Acetobacter pasteurianus subsp. ascendens => Acetobacter pasteurianus Acetobacter pasteurianus subsp. estunensis -> Acetobacter estunensis Acetobacter pasteurianus subsp. lovaniensis -> Acetobacter lovaniensis Acetobacter pasteurianus subsp. paradoxus => Acetobacter pasteurianus Acetobacter pasteurianus subsp. pasteurianus see: Acetobacter pasteurianus Acetobacter peroxydans => Acetobacter pasteurianus Acetobacter pomorum Sokollek et al. 1998 48:940* Acetobacter syzygii Lisdiyanti et al. 2002 52:3 Acetobacter tropicalis Lisdiyanti et al. 2001 51:263 Acetobacter xylinum see: Acetobacter xylinus Acetobacter xylinum subsp. sucrofermentans see: Gluconacetobacter xylinus subsp. sucrofermentans Acetobacter xylinum subsp. xylinum see: Gluconacetobacter xylinus Acetobacter xylinus (corrig.) -> Gluconacetobacter xylinus Acetobacter xylinus subsp. sucrofermentans => Gluconacetobacter xylinus Acetobacter xylinus subsp. xylinus -> Gluconacetobacter xylinus ACETOBACTERIUM Balch et al. 1977 30:239 (AL) Acetobacterium bakii Kotsyurbenko et al. 1997 47:242 Acetobacterium carbinolicum Eichler and Schink 1985 35:375 Acetobacterium fimetarium Kotsyurbenko et al. 1997 47:242 Acetobacterium malicum Tanaka and Pfennig 1990 40:470 Acetobacterium paludosum Kotsyurbenko et al. 1997 47:242 Acetobacterium tundrae Simankova et al. 2001 51:793 Acetobacterium wieringae Braun and Gottschalk 1983 33:438 Acetobacterium woodii Balch et al. 1977 30:240 (AL) ACETOFILAMENTUM Dietrich et al. 1989 39:93 Acetofilamentum rigidum Dietrich et al. 1989 39:93 ACETOGENIUM Leigh and Wolfe 1983 33:886* Acetogenium kivui -> Thermoanaerobacter kivui ACETOHALOBIUM Zhilina and Zavarzin 1990 40:470 Acetohalobium arabaticum Zhilina and Zavarzin 1990 40:470 ACETOMICROBIUM Soutschek et al. 1985 35:223 Acetomicrobium faecale Winter et al. 1988 (corrig.) 38:136 Acetomicrobium faecalis see: Acetomicrobium faecale Acetomicrobium flavidum Soutschek et al. 1985 35:223 ACETONEMA Kane and Breznak 1992 42:191 Acetonema longum Kane and Breznak 1992 42:191 ACETOTHERMUS Dietrich et al. 1988 38:328 Acetothermus paucivorans Dietrich et al. 1988 38:328 ACHOLEPLASMA Edward and Freundt 1970 30:240 (AL) Acholeplasma axanthum Tully and Razin 1970 30:240 (AL) Acholeplasma brassicae Tully et al. 1994 44:683* Acholeplasma cavigenitalium Hill 1992 42:591* Acholeplasma entomophilum -> Mesoplasma entomophilum Acholeplasma equifetale Kirchoff 1974 30:240 (AL) Acholeplasma florum -> Mesoplasma florum Acholeplasma granularum (Switzer 1964) Edward and Freundt 1970 30:240 (AL) Acholeplasma hippikon Kirchoff 1974 30:240 (AL) Acholeplasma laidlawii (Sabin 1941) Edward and Freundt 1970 30:240 (AL) Acholeplasma modicum Leach 1973 30:240 (AL) Acholeplasma morum Rose et al. 1980 30:653* Acholeplasma multilocale Hill et al. 1992 42:516* Acholeplasma oculi Al-Aubaidi et al. 1973 30:240 (AL) Acholeplasma palmae Tully et al. 1994 44:683* Acholeplasma parvum Atobe et al. 1983 33:348* Acholeplasma pleciae (Tully et al. 1994) Knight Jr. 2004 54:1952* Acholeplasma seiffertii -> Mesoplasma seiffertii Acholeplasma vituli Angulo et al. 2000 50:1130* ACHROMATIUM Schewiakoff 1893 30:240 (AL) Achromatium oxaliferum Schewiakoff 1893 30:240 (AL) ACHROMOBACTER Yabuuchi and Yano 1981 emend. Yabuuchi et al. 1998 31:478* ACHROMOBACTER -> ACHROMOBACTER Achromobacter denitrificans (Rger and Tan 1983) Coenye et al. 2003 53:1829* Achromobacter insolitus Coenye et al. 2003 53:1823* Achromobacter piechaudii (Kiredjian et al. 1986) Yabuuchi et al. 1998 48:1083 Achromobacter ruhlandii (Packer and Vishniac 1955) Yabuuchi et al. 1998 48:1083 Achromobacter spanius Coenye et al. 2003 53:1823* Achromobacter xylosoxidans see: Achromobacter xylosoxidans subsp. xylosoxidans Achromobacter xylosoxidans Achromobacter xylosoxidans subsp. xylosoxidans Achromobacter xylosoxidans subsp. denitrificans -> Achromobacter denitrificans Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi and Yano 1981 emend. Yabuuchi et al. 1998 31:477* ACIDAMINOBACTER Stams and Hansen 1985 35:223 Acidaminobacter hydrogenoformans Stams and Hansen 1985 35:223 ACIDAMINOCOCCUS Rogosa 1969 emend. Cook et al. 1994 30:240 (AL) Acidaminococcus fermentans Rogosa 1969 emend. Cook et al. 1994 30:241 (AL) ACIDIANUS Segerer et al. 1986 36:559* Acidianus ambivalens (Zillig and B”ck 1987) Fuchs et al. 1996 46:836 Acidianus brierleyi (Zillig et al. 1980) Segerer et al. 1986 36:559* Acidianus infernus Segerer et al. 1986 36:559* ACIDICALDUS Johnson et al. 2006 56:1459* Acidicaldus organivorans Johnson et al. 2006 56:1459* ACIDILOBUS Prokofeva et al. 2000 50:2007* Acidilobus aceticus Prokofeva et al. 2000 50:2007* ACIDIMICROBIUM Clark and Norris 1996 46:1189 Acidimicrobium ferrooxidans Clark and Norris 1996 46:1189 ACIDIPHILIUM Harrison 1981 emend. Kishimoto et al. 1995 31:331* Acidiphilium acidophilum (Harrison 1983) Hiraishi et al. 1998 48:1396* Acidiphilium aminilyticum (corrig.) -> Acidocella aminolytica Acidiphilium aminolytica see: Acidiphilium aminilyticum Acidiphilium angustum Wichlacz et al. 1986 36:200* Acidiphilium cryptum Harrison 1981 31:331* Acidiphilium facile (corrig.) -> Acidocella facilis Acidiphilium facilis see: Acidiphilium facile Acidiphilium multivorum Wakao et al. 1995 45:197 Acidiphilium organovorum Lobos et al. 1986 36:143* Acidiphilium rubrum Wichlacz et al. 1986 36:200* ACIDISPHAERA Hiraishi et al. 2000 50:1545* Acidisphaera rubrifaciens Hiraishi et al. 2000 50:1545* ACIDITHIOBACILLUS Kelly and Wood 2000 50:513* Acidithiobacillus albertensis (Bryant et al. 1988) Kelly and Wood 2000 (corrig.) 50:514* Acidithiobacillus caldus (Hallberg and Lindstr”m 1995) Kelly and Wood 2000 50:514* Acidithiobacillus ferrooxidans (Temple and Colmer 1951) Kelly and Wood 2000 50:513* Acidithiobacillus thiooxidans (Waksman and Joffe 1922) Kelly and Wood 2000 50:513* ACIDOBACTERIUM Kishimoto et al. 1991 41:456 Acidobacterium capsulatum Kishimoto et al. 1991 41:456 ACIDOCELLA Kishimoto et al. 1996 46:362 Acidocella aminolytica (Kishimoto et al. 1994) Kishimoto et al. 1996 46:362 Acidocella facilis (Wichlacz et al. 1986) Kishimoto et al. 1996 46:362 ACIDOMONAS Urakami et al. 1989 emend. Yamashita et al. 2004 39:50* Acidomonas methanolica (Uhlig et al. 1986) Urakami et al. 1989 emend. Yamashita et al. 2004 39:54* ACIDOTHERMUS Mohagheghi et al. 1986 36:435* Acidothermus cellulolyticus Mohagheghi et al. 1986 36:442* ACIDOVORAX Willems et al. 1990 40:394* Acidovorax anthurii Gardan et al. 2000 50:245* Acidovorax avenae see: Acidovorax avenae subsp. avenae Acidovorax avenae subsp. avenae (Manns 1909) Willems et al. 1992 42:117* Acidovorax avenae subsp. cattleyae (Pavarino 1911) Willems et al. 1992 42:118* Acidovorax avenae subsp. citrulli (Schaad et al. 1978) Willems et al. 1992 42:118* Acidovorax defluvii Schulze et al. 1999 49:1325 Acidovorax delafieldii (Davis 1970) Willems et al. 1990 40:396* Acidovorax facilis (Schatz and Bovell 1952) Willems et al. 1990 40:394* Acidovorax konjaci (Goto 1983) Willems et al. 1992 42:118* Acidovorax temperans Willems et al. 1990 40:396* Acidovorax valerianellae Gardan et al. 2003 53:799* ACINETOBACTER Brisou and Prevot 1954 30:241 (AL) Acinetobacter baumannii Bouvet and Grimont 1986 36:239* Acinetobacter baylyi Carr et al. 2003 53:960* Acinetobacter bouvetii Carr et al. 2003 53:961* Acinetobacter calcoaceticus (Beijerinck 1911) Baumann et al. 1968 30:241 (AL) Acinetobacter gerneri Carr et al. 2003 53:961* Acinetobacter grimontii Carr et al. 2003 53:961* Acinetobacter haemolyticus (ex Stenzel and Mannheim 1963) Bouvet and Grimont 1986 36:239* Acinetobacter johnsonii Bouvet and Grimont 1986 36:239* Acinetobacter junii Bouvet and Grimont 1986 36:239* Acinetobacter lwoffii (Audureau 1940) Brisou and Pr‚vot 1954 emend. Bouvet and Grimont 1986 30:241 (AL) Acinetobacter parvus Nemec et al. 2003 53:1566* Acinetobacter radioresistens Nishimura et al. 1988 38:209* Acinetobacter schindleri Nemec et al. 2001 51:1898* Acinetobacter tandoii Carr et al. 2003 53:962* Acinetobacter tjernbergiae Carr et al. 2003 53:961* Acinetobacter towneri Carr et al. 2003 53:961* Acinetobacter ursingii Nemec et al. 2001 51:1898* ACROCARPOSPORA Tamura et al. 2000 50:1170* Acrocarpospora corrugata (Williams and Sharples 1976) Tamura et al. 2000 50:1170* Acrocarpospora macrocephala Tamura et al. 2000 50:1170* Acrocarpospora pleiomorpha Tamura et al. 2000 50:1170* ACTINOALLOTEICHUS Tamura et al. 2000 50:1439* Actinoalloteichus cyanogriseus Tamura et al. 2000 50:1439* Actinoalloteichus hymeniacidonis Zhang et al. 2006 56:2311* Actinoalloteichus spitiensis Singla et al. 2005 55:2563* ACTINOBACILLUS Brumpt 1910 30:241 (AL) Actinobacillus actinomycetemcomitans -> Aggregatibacter actinomycetemcomitans Actinobacillus arthritidis Christensen et al. 2002 52:1244* Actinobacillus capsulatus Arseculeratne 1962 30:241 (AL) Actinobacillus delphinicola Foster et al. 1996 46:652* Actinobacillus equuli see: Actinobacillus equuli subsp. equuli Actinobacillus equuli subsp. equuli (van Straaten 1918) Haupt 1934 52:1575* Actinobacillus equuli subsp. haemolyticus Christensen et al. 2002 52:1575* Actinobacillus hominis Friis-Moeller 1985 35:375 Actinobacillus indolicus Moeller et al. 1996 46:956* Actinobacillus lignieresii Brumpt 1910 30:241 (AL) Actinobacillus minor Moeller et al. 1996 46:955* Actinobacillus muris Bisgaard 1988 38:220 Actinobacillus pleuropneumoniae (Shope 1964) Pohl et al. 1983 33:513* Actinobacillus porcinus Moeller et al. 1996 46:956* Actinobacillus rossii Sneath and Stevens 1990 emend. Christensen et al. 2005 40:151* Actinobacillus scotiae Foster et al. 1998 48:933* Actinobacillus seminis (ex Baynes and Simmons 1960) Sneath and Stevens 1990 40:151* Actinobacillus succinogenes Guettler et al. 1999 49:214* Actinobacillus suis van Dorssen and Jaartsveld 1962 30:241 (AL) Actinobacillus ureae (Jones 1962) Mutters et al. 1986 36:343* ACTINOBACULUM Lawson et al. 1997 47:901* Actinobaculum massiliae see: Actinobaculum massiliense Actinobaculum massiliense Greub and Raoult 2006 (corrig.) 56:2025 Actinobaculum schaalii Lawson et al. 1997 47:902* Actinobaculum suis (Wegienek and Reddy 1982) Lawson et al. 1997 47:901* Actinobaculum urinale Hall et al. 2003 53:682* ACTINOBISPORA -> PSEUDONOCARDIA Actinobispora alaniniphila -> Pseudonocardia alaniniphila Actinobispora aurantiaca -> Pseudonocardia aurantiaca Actinobispora xinjiangensis -> Pseudonocardia xinjiangensis Actinobispora yunnanensis -> Pseudonocardia yunnanensis ACTINOCATENISPORA Thawai et al. 2006 56:1792* Actinocatenispora thailandica Thawai et al. 2006 56:1793* ACTINOCORALLIA Iinuma et al. 1994 emend. Zhang et al. 2001 44:233* Actinocorallia aurantiaca (Lavrova and Preobrazhenskaya 1975) Zhang et al. 2001 51:381* Actinocorallia cavernae Lee 2006 56:1087* Actinocorallia glomerata (Itoh et al. 1996) Zhang et al. 2001 51:381* Actinocorallia herbida Iinuma et al. 1994 44:233* Actinocorallia libanotica (Meyer 1981) Zhang et al. 2001 51:381* Actinocorallia longicatena (Itoh et al. 1996) Zhang et al. 2001 51:381* ACTINOKINEOSPORA Hasegawa 1988 38:449 Actinokineospora auranticolor Otoguro et al. 2003 53:1 Actinokineospora diospyrosa Tamura et al. 1995 45:378* Actinokineospora enzanensis Otoguro et al. 2003 53:1 Actinokineospora globicatena Tamura et al. 1995 45:377* Actinokineospora inagensis Tamura et al. 1995 45:377* Actinokineospora riparia Hasegawa 1988 38:449 Actinokineospora terrae Tamura et al. 1995 45:377* ACTINOMADURA Lechevalier and Lechevalier 1970 30:241 (AL) Actinomadura africana -> Nonomuraea africana Actinomadura atramentaria Miyadoh et al. 1987 37:342* Actinomadura aurantiaca -> Actinocorallia aurantiaca Actinomadura carminata -> Nonomuraea roseoviolacea subsp. carminata Actinomadura catellatispora Lu et al. 2003 53:140* Actinomadura citrea Lavrova et al. 1972 30:242 (AL) Actinomadura coerulea Preobrazhenskaya et al. 1975 30:242 (AL) Actinomadura coeruleofusca -> Saccharothrix coeruleofusca Actinomadura coeruleoviolacea -> Saccharothrix coeruleoviolacea Actinomadura cremea see: Actinomadura cremea subsp. cremea Actinomadura cremea subsp. cremea Preobrazhenskaya et al. 1975 30:242 (AL) Actinomadura cremea subsp. rifamycini Gauze et al. 1987 37:179 Actinomadura echinospora (Nonomura and Ohara 1971) Kroppenstedt et al. 1991 41:178 Actinomadura fastidiosa -> Nonomuraea fastidiosa Actinomadura ferruginea -> Nonomuraea ferruginea Actinomadura fibrosa Mertz and Yao 1990 40:31* Actinomadura flava -> Lechevalieria flava Actinomadura flexuosa -> Thermopolyspora flexuosa Actinomadura formosensis (Hasegawa et al. 1986) Zhang et al. 1998 48:418* Actinomadura fulvescens Terekhova et al. 1987 37:179 Actinomadura glauciflava Lu et al. 2003 53:141* Actinomadura glomerata -> Actinocorallia glomerata Actinomadura hallensis Lee and Jeong 2006 56:263* Actinomadura helvata -> Nonomuraea helvata Actinomadura hibisca Tomita et al. 1991 41:178 Actinomadura kijaniata Horan and Brodsky 1982 32:198* Actinomadura latina Trujillo and Goodfellow 1997 47:915 Actinomadura libanotica -> Actinocorallia libanotica Actinomadura livida Lavrova and Preobrazhenskaya 1975 30:242 (AL) Actinomadura longicatena -> Actinocorallia longicatena Actinomadura longispora -> Saccharothrix longispora Actinomadura luteofluorescens (Shinobu 1962) Preobrazhenskaya et al. 1975 30:242 (AL) Actinomadura macra (ex Celmer et al. 1979) Huang 1980 30:567* Actinomadura madurae (Vincent 1894) Lechevalier and Lechevalier 1970 30:242 (AL) Actinomadura malachitica => Actinomadura viridis Actinomadura mexicana Quintana et al. 2004 54:307 Actinomadura meyerae Quintana et al. 2004 (corrig.) 54:307 Actinomadura namibiensis Wink et al. 2003 53:724* Actinomadura napierensis Cook et al. 2005 55:706* Actinomadura nitritigenes Lipski and Altendorf 1995 45:722* Actinomadura oligospora Mertz and Yao 1986 36:179* Actinomadura pelletieri (Laveran 1906) Lechevalier and Lechevalier 1970 30:243 (AL) Actinomadura polychroma -> Nonomuraea polychroma Actinomadura pusilla -> Nonomuraea pusilla Actinomadura recticatena -> Nonomuraea recticatena Actinomadura roseola -> Nonomuraea roseola Actinomadura roseoviolacea -> Nonomuraea roseoviolacea subsp. roseoviolacea Actinomadura rubra -> Nonomuraea rubra Actinomadura rubrobrunea (ex Krasil'nikov et al. 1968) Kroppenstedt et al. 1991 41:178 Actinomadura rugatobispora Miyadoh et al. 1991 41:178 Actinomadura salmonea -> Nonomuraea salmonea Actinomadura spadix Nonomura and Ohara 1971 30:243 (AL) Actinomadura spiralis -> Nonomuraea spiralis Actinomadura turkmeniaca -> Nonomuraea turkmeniaca Actinomadura umbrina Galatenko et al. 1987 37:179 Actinomadura verrucosospora Nonomura and Ohara 1971 30:243 (AL) Actinomadura vinacea Lavrova and Preobrazhenskaya 1975 30:243 (AL) Actinomadura viridilutea (Agre and Guzeva 1975) Zhang et al. 2001 51:381* Actinomadura viridis (Nonomura and Ohara 1971) Miyadoh et al. 1989 39:156* Actinomadura yumaensis Labeda et al. 1985 35:335* ACTINOMYCES Harz 1877 30:243 (AL) Actinomyces bernardiae -> Arcanobacterium bernardiae Actinomyces bovis Harz 1877 30:243 (AL) Actinomyces bowdenii Pascual et al. 1999 49:1876* Actinomyces canis Hoyles et al. 2000 50:1549* Actinomyces cardiffensis Hall et al. 2003 53:1 Actinomyces catuli Hoyles et al. 2001 51:681* Actinomyces coleocanis Hoyles et al. 2002 52:1203* Actinomyces dentalis Hall et al. 2005 55:430* Actinomyces denticolens Dent and Williams 1984 34:503 Actinomyces europaeus Funke et al. 1997 47:690* Actinomyces flavochromogenes subsp. heliomycini -> Streptomyces heliomycini Actinomyces funkei Lawson et al. 2001 51:855* Actinomyces georgiae Johnson et al. 1990 40:276* Actinomyces gerencseriae Johnson et al. 1990 40:278* Actinomyces graevenitzii Pascual Ramos et al. 1997 47:887* Actinomyces hongkongensis Woo et al. 2004 54:307 Actinomyces hordeovulneris Buchanan et al. 1984 34:442* Actinomyces howellii Dent and Williams 1984 34:319* Actinomyces humiferus -> Cellulomonas humilata Actinomyces hyovaginalis Collins et al. 1993 43:472* Actinomyces israelii (Kruse 1896) Lachner-Sandoval 1898 30:243 (AL) Actinomyces marimammalium Hoyles et al. 2001 51:154* Actinomyces meyeri (ex Pr‚vot 1938) Cato et al. 1984 34:487* Actinomyces naeslundii Thompson and Lovestedt 1951 30:243 (AL) Actinomyces nasicola Hall et al. 2003 53:1448* Actinomyces neuii subsp. anitratus Funke et al. 1994 44:170* Actinomyces neuii subsp. neuii Funke et al. 1994 44:170* Actinomyces odontolyticus Batty 1958 30:243 (AL) Actinomyces oricola Hall et al. 2003 53:1518* Actinomyces pyogenes -> Arcanobacterium pyogenes Actinomyces radicidentis Collins et al. 2001 51:1 Actinomyces radingae Wst et al. 1995 emend. Vandamme et al. 1998 45:619 Actinomyces ruminicola An et al. 2006 56:2045* Actinomyces slackii Dent and Williams 1986 36:394* Actinomyces suimastitidis Hoyles et al. 2001 51:1326* Actinomyces suis -> Actinobaculum suis Actinomyces turicensis Wst et al. 1995 emend. Vandamme et al. 1998 45:619 Actinomyces urogenitalis Nikolaitchouk et al. 2000 50:1653* Actinomyces vaccimaxillae Hall et al. 2003 53:605* Actinomyces viscosus (Howell et al. 1965) Georg et al. 1969 30:244 (AL) ACTINOPLANES Couch 1950 emend. Stackebrandt and Kroppenstedt 1987 30:244 (AL) Actinoplanes armeniacus -> Streptomyces armeniacus Actinoplanes auranticolor (Couch 1963) Stackebrandt and Kroppenstedt 1988 38:328 Actinoplanes brasiliensis Thiemann et al. 1969 30:244 (AL) Actinoplanes caeruleus -> Couchioplanes caeruleus subsp. caeruleus Actinoplanes campanulatus (Couch 1963) Stackebrandt and Kroppenstedt 1988 38:328 Actinoplanes capillaceus Matsumoto et al. 2001 51:793 Actinoplanes consettensis Goodfellow et al. 1990 40:320 Actinoplanes cyaneus Terekhova et al. 1987 37:179 Actinoplanes deccanensis Parenti et al. 1975 30:244 (AL) Actinoplanes derwentensis Goodfellow et al. 1990 40:320 Actinoplanes digitatis (Couch 1963) Stackebrandt and Kroppenstedt 1988 38:328 Actinoplanes durhamensis Goodfellow et al. 1990 40:320 Actinoplanes ferrugineus Palleroni 1979 30:244 (AL) Actinoplanes friuliensis Aretz et al. 2001 51:793 Actinoplanes globisporus (Thiemann 1967) Stackebrandt and Kroppenstedt 1988 38:328 Actinoplanes humidus Goodfellow et al. 1990 40:320 Actinoplanes italicus Beretta 1973 30:244 (AL) Actinoplanes liguriensis Wink et al. 2006 56:2128* Actinoplanes lobatus (Couch 1963) Stackebrandt and Kroppenstedt 1988 38:328 Actinoplanes minutisporangius -> Cryptosporangium minutisporangium Actinoplanes missouriensis Couch 1963 30:244 (AL) Actinoplanes palleronii Goodfellow et al. 1990 40:320 Actinoplanes philippinensis Couch 1950 30:244 (AL) Actinoplanes rectilineatus Lechevalier and Lechevalier 1975 30:244 (AL) Actinoplanes regularis (Couch 1963) Stackebrandt and Kroppenstedt 1988 38:328 Actinoplanes teichomyceticus Wink et al. 2006 56:2129* Actinoplanes utahensis Couch 1963 30:244 (AL) ACTINOPOLYMORPHA Wang et al. 2001 51:471* Actinopolymorpha singaporensis Wang et al. 2001 51:472* ACTINOPOLYSPORA Gochnauer et al. 1975 30:244 (AL) Actinopolyspora halophila Gochnauer et al. 1975 30:244 (AL) Actinopolyspora iraqiensis Ruan et al. 1994 44:760* Actinopolyspora mortivallis Yoshida et al. 1991 41:19* ACTINOPYCNIDIUM -> STREPTOMYCES Actinopycnidium caeruleum -> Streptomyces humiferus ACTINOSPICA Cavaletti et al. 2006 56:1751* Actinospica acidiphila Cavaletti et al. 2006 56:1752* Actinospica robiniae Cavaletti et al. 2006 56:1752* ACTINOSPORANGIUM -> STREPTOMYCES Actinosporangium violaceum -> Streptomyces paradoxus Actinosporangium vitaminophilum -> Streptomyces vitaminophilus ACTINOSYNNEMA Hasegawa et al. 1978 30:245 (AL) Actinosynnema mirum Hasegawa et al. 1978 30:245 (AL) Actinosynnema pretiosum see: Actinosynnema pretiosum subsp. pretiosum Actinosynnema pretiosum subsp. auranticum Hasegawa et al. 1983 33:320* Actinosynnema pretiosum subsp. pretiosum Hasegawa et al. 1983 33:318* ADHAERIBACTER Rickard et al. 2005 55:827* Adhaeribacter aquaticus Rickard et al. 2005 55:827* ADVENELLA Coenye et al. 2005 55:255* Advenella incenata Coenye et al. 2005 55:255* AEGYPTIANELLA Carpano 1929 30:245 (AL) Aegyptianella pullorum Carpano 1929 30:245 (AL) AEQUORIVITA Bowman and Nichols 2002 52:1538* Aequorivita antarctica Bowman and Nichols 2002 52:1539* Aequorivita crocea Bowman and Nichols 2002 52:1540* Aequorivita lipolytica Bowman and Nichols 2002 52:1539* Aequorivita sublithincola Bowman and Nichols 2002 52:1540* AERISCARDOVIA Simpson et al. 2004 54:405* Aeriscardovia aeriphila Simpson et al. 2004 54:406* AEROCOCCUS Williams et al. 1953 30:245 (AL) Aerococcus christensenii Collins et al. 1999 49:1128* Aerococcus sanguicola see: Aerococcus sanguinicola Aerococcus sanguinicola Lawson et al. 2001 (corrig.) 51:478* Aerococcus urinae Aguirre and Collins 1992 42:511 Aerococcus urinaeequi (Garvie 1988) Felis et al. 2005 55:1327* Aerococcus urinaehominis Lawson et al. 2001 51:685* Aerococcus viridans Williams et al. 1953 30:245 (AL) AEROMICROBIUM Miller et al. 1991 41:367* Aeromicrobium alkaliterrae Yoon et al. 2005 55:2174* Aeromicrobium erythreum Miller et al. 1991 41:367* Aeromicrobium fastidiosum (Collins and Stackebrandt 1989) Tamura and Yokota 1994 44:610* Aeromicrobium marinum Bruns et al. 2003 53:1922* AEROMONAS Stanier 1943 30:245 (AL) Aeromonas allosaccharophila Martinez-Murcia et al. 1992 42:511 Aeromonas bestiarum Ali et al. 1996 46:1189 Aeromonas caviae (ex Eddy 1962) Popoff 1984 34:355 Aeromonas culicicola => Aeromonas veronii Aeromonas encheleia Esteve et al. 1995 emend. Huys et al. 1997 45:464* Aeromonas enteropelogenes Schubert et al. 1991 41:456 Aeromonas eucrenophila Schubert and Hegazi 1988 emend. Huys et al. 1997 38:449; 47:1162* Aeromonas hydrophila see: Aeromonas hydrophila subsp. hydrophila Aeromonas hydrophila subsp. anaerogenes Schubert 1964 30:245 (AL) Aeromonas hydrophila subsp. dhakensis Huys et al. 2002 52:710* Aeromonas hydrophila subsp. hydrophila (Chester 1901) Stanier 1943 emend. Huys et al. 2002 30:245 (AL) Aeromonas hydrophila subsp. proteolytica -> Vibrio proteolyticus Aeromonas hydrophila subsp. ranae Huys et al. 2003 53:890* Aeromonas ichthiosmia Schubert et al. 1991 41:456 Aeromonas jandaei Carnahan et al. 1992 emend. Esteve et al. 2003 42:191 Aeromonas media Allen et al. 1983 33:603* Aeromonas molluscorum Mi¤ana-Galbis et al. 2004 54:2077* Aeromonas popoffii Huys et al. 1997 47:1170* Aeromonas punctata see: Aeromonas punctata subsp. punctata Aeromonas punctata subsp. caviae (Scherago 1936) Schubert 1964 30:246 (AL) Aeromonas punctata subsp. punctata (Zimmermann 1890) Snieszko 1957 30:246 (AL) Aeromonas salmonicida see: Aeromonas salmonicida subsp. salmonicida Aeromonas salmonicida subsp. achromogenes (Smith 1963) Schubert 1967 30:246 (AL) Aeromonas salmonicida subsp. masoucida Kimura 1969 30:246 (AL) Aeromonas salmonicida subsp. pectinolytica Pavan et al. 2000 50:1123* Aeromonas salmonicida subsp. salmonicida (Lehmann and Neumann 1896) Griffin et al. 1953 30:246 (AL) Aeromonas salmonicida subsp. smithia Austin et al. 1989 39:495 Aeromonas schubertii Hickman-Brenner et al. 1989 39:205 Aeromonas sharmana Saha and Chakrabarti 2006 56:1907* Aeromonas simiae Harf-Monteil et al. 2004 54:484* Aeromonas sobria Popoff and Veron 1981 31:215 Aeromonas trota => Aeromonas enteropelogenes Aeromonas veronii Hickman-Brenner et al. 1988 38:220 AEROPYRUM Sako et al. 1996 46:1075* Aeropyrum camini Nakagawa et al. 2004 54:333* Aeropyrum pernix Sako et al. 1996 46:1076* AESTUARIIBACTER Yi et al. 2004 54:573* Aestuariibacter halophilus Yi et al. 2004 54:575* Aestuariibacter salexigens Yi et al. 2004 54:575* AFIPIA Brenner et al. 1992 emend. La Scola et al. 2002 42:327 Afipia birgiae La Scola et al. 2002 52:1779* Afipia broomeae Brenner et al. 1992 42:327 Afipia clevelandensis Brenner et al. 1992 42:327 Afipia felis Brenner et al. 1992 42:327 Afipia massiliensis La Scola et al. 2002 52:1780* AGARIVORANS Kurahashi and Yokota 2004 54:696* Agarivorans albus Kurahashi and Yokota 2004 54:696* AGGREGATIBACTER N”rskov-Lauritsen and Kilian 2006 56:2143* Aggregatibacter actinomycetemcomitans (Klinger 1912) N”rskov-Lauritsen and Kilian 2006 56:2143* Aggregatibacter aphrophilus (Khairat 1940) N”rskov-Lauritsen and Kilian 2006 56:2143* Aggregatibacter segnis (Kilian 1977) N”rskov-Lauritsen and Kilian 2006 56:2144* AGITOCOCCUS Franzmann and Skerman 1981 31:182* Agitococcus lubricus Franzmann and Skerman 1981 31:182* AGREIA Evtushenko et al. 2001 51:2077* Agreia bicolorata Evtushenko et al. 2001 51:2077* Agreia pratensis (Behrendt et al. 2002) Schumann et al. 2003 53:2043* AGROBACTERIUM => RHIZOBIUM Agrobacterium atlanticum -> Ruegeria atlantica Agrobacterium ferrugineum -> Pseudorhodobacter ferrugineus Agrobacterium gelatinovorum -> Thalassobius gelatinovorus Agrobacterium larrymoorei -> Rhizobium larrymoorei Agrobacterium meteori => Ruegeria atlantica Agrobacterium radiobacter -> Rhizobium radiobacter Agrobacterium rhizogenes -> Rhizobium rhizogenes Agrobacterium rubi -> Rhizobium rubi Agrobacterium stellulatum -> Stappia stellulata Agrobacterium tumefaciens => Rhizobium radiobacter Agrobacterium vitis -> Rhizobium vitis AGROCOCCUS Groth et al. 1996 46:239* Agrococcus baldri Zlamala et al. 2002 52:1215* Agrococcus citreus Wieser et al. 1999 49:1168* Agrococcus jenensis Groth et al. 1996 46:239* Agrococcus lahaulensis Mayilraj et al. 2006 56:1809* AGROMONAS Ohta and Hattori 1985 35:223 Agromonas oligotrophica Ohta and Hattori 1985 35:223 AGROMYCES Gledhill and Casida 1969 emend. Zgurskaya et al. 1992 30:247 (AL) Agromyces albus Dorofeeva et al. 2003 53:1438* Agromyces aurantiacus Li et al. 2003 53:306* Agromyces bracchium Takeuchi and Hatano 2001 51:1536* Agromyces cerinus see: Agromyces cerinus subsp. cerinus Agromyces cerinus subsp. cerinus Zgurskaya et al. 1992 42:640* Agromyces cerinus subsp. nitratus Zgurskaya et al. 1992 42:640* Agromyces fucosus Zgurskaya et al. 1992 emend. Ortiz-Martinez et al. 2004 42:640* Agromyces fucosus subsp. fucosus -> Agromyces fucosus Agromyces fucosus subsp. hippuratus -> Agromyces hippuratus Agromyces hippuratus (Zgurskaya et al. 1992) Ortiz-Martinez et al. 2004 54:1555* Agromyces humatus Jurado et al. 2005 55:874* Agromyces italicus Jurado et al. 2005 55:874* Agromyces lapidis Jurado et al. 2005 55:874* Agromyces luteolus Takeuchi and Hatano 2001 51:1535* Agromyces mediolanus (ex Mamoli 1939) Suzuki et al. 1996 46:92* Agromyces neolithicus Jurado et al. 2005 55:157* Agromyces ramosus Gledhill and Casida 1969 30:247 (AL) Agromyces rhizospherae Takeuchi and Hatano 2001 51:1536* Agromyces salentinus Jurado et al. 2005 55:157* Agromyces subbeticus Jurado et al. 2005 55:1900* Agromyces ulmi Rivas et al. 2004 54:1989* AHRENSIA Uchino et al. 1999 49:1 Ahrensia kielensis (ex Ahrens 1968) Uchino et al. 1999 49:1 AKKERMANSIA Derrien et al. 2004 54:1474* Akkermansia muciniphila Derrien et al. 2004 54:1474* ALBIBACTER Doronina et al. 2001 51:1056* Albibacter methylovorans Doronina et al. 2001 51:1056* ALBIDOVULUM Albuquerque et al. 2003 53:1 Albidovulum inexpectatum Albuquerque et al. 2003 53:1 ALCALIGENES Castellani and Chalmers 1919 30:247 (AL) Alcaligenes aestus -> Halomonas aquamarina Alcaligenes aquamarinus -> Halomonas aquamarina Alcaligenes aquatilis Van Trappen et al. 2005 55:2574* Alcaligenes cupidus -> Halomonas cupida Alcaligenes defragrans -> Castellaniella defragrans Alcaligenes denitrificans -> Achromobacter denitrificans Alcaligenes denitrificans subsp. denitrificans see: Achromobacter xylosoxidans subsp. denitrificans Alcaligenes denitrificans subsp. xylosoxydans see: Achromobacter xylosoxidans subsp. xylosoxidans Alcaligenes eutrophus -> Wautersia eutropha Alcaligenes faecalis see: Alcaligenes faecalis subsp. faecalis Alcaligenes faecalis subsp. faecalis Castellani and Chalmers 1919 31:75* Alcaligenes faecalis subsp. homari => Halomonas aquamarina Alcaligenes faecalis subsp. parafaecalis Schroll et al. 2001 51:1619 Alcaligenes faecalis subsp. phenolicus Rehfuss and Urban 2006 56:1 Alcaligenes latus -> Azohydromonas lata Alcaligenes pacificus -> Halomonas pacifica Alcaligenes paradoxus -> Variovorax paradoxus Alcaligenes piechaudii -> Achromobacter piechaudii Alcaligenes ruhlandii -> Achromobacter ruhlandii Alcaligenes venustus -> Halomonas venusta Alcaligenes xylosoxidans see: Achromobacter xylosoxidans subsp. xylosoxidans Alcaligenes xylosoxidans subsp. denitrificans -> Achromobacter xylosoxidans subsp. denitrificans Alcaligenes xylosoxidans subsp. xylosoxidans Achromobacter xylosoxidans subsp. xylosoxidans ALCANIVORAX Yakimov et al. 1998 emend. Fern ndez-Mart¡nez et al. 2003 48:346* Alcanivorax borkumensis Yakimov et al. 1998 48:347* Alcanivorax dieselolei Liu and Shao 2005 55:1185* Alcanivorax jadensis (Bruns and Berthe-Corti 1999) Fern ndez-Mart¡nez et al. 2003 53:337* Alcanivorax venustensis Fern ndez-Mart¡nez et al. 2003 53:337* ALGIBACTER Nedashkovskaya et al. 2004 54:1260* Algibacter lectus Nedashkovskaya et al. 2004 54:1260* ALGICOLA Ivanova et al. 2004 54:1784* Algicola bacteriolytica (Sawabe et al. 1998) Ivanova et al. 2004 54:1784* ALGORIPHAGUS Bowman et al. 2003 emend. Nedashkovskaya et al. 2004 53:1351* Algoriphagus antarcticus Van Trappen et al. 2004 54:1972* Algoriphagus aquimarinus Nedashkovskaya et al. 2004 54:1762* Algoriphagus chordae Nedashkovskaya et al. 2004 54:1763* Algoriphagus halophilus (Yi and Chun 2004) Nedashkovskaya 2004 54:1763* Algoriphagus locisalis Yoon et al. 2005 55:1638* Algoriphagus ratkowskyi Bowman et al. 2003 53:1352* Algoriphagus terrigena Yoon et al. 2006 56:780* Algoriphagus winogradskyi Nedashkovskaya et al. 2004 54:1763* Algoriphagus yeomjeoni Yoon et al. 2005 55:869* ALICYCLIPHILUS Mechichi et al. 2003 53:149* Alicycliphilus denitrificans Mechichi et al. 2003 53:151* ALICYCLOBACILLUS Wisotzkey et al. 1992 emend. Goto et al. 2003 emend. Karavaiko et al. 2005 42:267* Alicyclobacillus acidiphilus Matsubara et al. 2002 52:1684* Alicyclobacillus acidocaldarius see: Alicyclobacillus acidocaldarius subsp. acidocaldarius Alicyclobacillus acidocaldarius subsp. acidocaldarius (Darland and Brock 1971) Wisotzkey et al. 1992 42:267* Alicyclobacillus acidocaldarius subsp. rittmannii Nicolaus et al. 2002 52:3 Alicyclobacillus acidoterrestris (Deinhard et al. 1988) Wisotzkey et al. 1992 42:268* Alicyclobacillus cycloheptanicus (Deinhard et al. 1988) Wisotzkey et al. 1992 42:268* Alicyclobacillus disulfidooxydans (Dufresne et al. 1996) Karavaiko et al. 2005 55:946* Alicyclobacillus herbarius Goto et al. 2002 52:112* Alicyclobacillus hesperidum Albuquerque et al. 2000 50:454* Alicyclobacillus pomorum Goto et al. 2003 53:1542* Alicyclobacillus sendaiensis Tsuruoka et al. 2003 53:1084* Alicyclobacillus tolerans Karavaiko et al. 2005 55:946* Alicyclobacillus vulcanalis Simbahan et al. 2004 54:1707* ALISHEWANELLA Fonnesbech Vogel et al. 2000 50:1140* Alishewanella fetalis Fonnesbech Vogel et al. 2000 50:1141* ALISTIPES Rautio et al. 2003 53:1701 Alistipes finegoldii Rautio et al. 2003 53:1701 Alistipes onderdonkii Song et al. 2006 56:1988* Alistipes putredinis (Weinberg et al. 1937) Rautio et al. 2003 53:1701 Alistipes shahii Song et al. 2006 56:1989* ALKALIBACILLUS Jeon et al. 2005 55:1894* Alkalibacillus filiformis Romano et al. 2005 55:2398* Alkalibacillus haloalkaliphilus (Fritze 1996) Jeon et al. 2005 55:1895* Alkalibacillus salilacus Jeon et al. 2005 55:1895* ALKALIBACTER Garnova et al. 2005 55:983 Alkalibacter saccharofermentans Garnova et al. 2005 55:983 ALKALIBACTERIUM Ntougias and Russel 2001 51:1169* Alkalibacterium iburiense Nakajima et al. 2005 55:1529* Alkalibacterium olivapovliticus Ntougias and Russel 2001 (corrig.) 51:1169* Alkalibacterium olivoapovliticus see: Alkalibacterium olivapovliticus Alkalibacterium psychrotolerans Yumoto et al. 2004 54:2382* ALKALIFLEXUS Zhilina et al. 2005 55:1395 Alkaliflexus imshenetskii Zhilina et al. 2005 55:1395 ALKALILIMNICOLA Yakimov et al. 2001 51:2142* Alkalilimnicola halodurans Yakimov et al. 2001 51:2142* ALKALIPHILUS Takai et al. 2001 emend. Cao et al. 2003 51:1254* Alkaliphilus crotonatoxidans Cao et al. 2003 53:973* Alkaliphilus transvaalensis Takai et al. 2001 51:1254* ALKALISPIRILLUM Rijkenberg et al. 2002 52:1075 Alkalispirillum mobile Rijkenberg et al. 2002 52:1075 ALKANINDIGES Bogan et al. 2003 53:1394* Alkanindiges illinoisensis Bogan et al. 2003 53:1394* ALLISONELLA Garner et al. 2003 53:373 Allisonella histaminiformans Garner et al. 2003 53:373 ALLOBACULUM Greetham et al. 2006 56:1459* Allobaculum stercoricanis Greetham et al. 2006 56:1459* ALLOCHROMATIUM Imhoff et al. 1998 48:1140* Allochromatium minutissimum (Winogradsky 1888) Imhoff et al. 1998 48:1141* Allochromatium vinosum (Ehrenberg 1838) Imhoff et al. 1998 48:1141* Allochromatium warmingii (Cohn 1875) Imhoff et al. 1998 48:1141* ALLOFUSTIS Collins et al. 2003 53:813* Allofustis seminis Collins et al. 2003 53:813* ALLOIOCOCCUS Aguirre and Collins 1992 42:83* Alloiococcus otitis Aguirre and Collins 1992 42:83* ALLOMONAS Kalina et al. 1984 34:152* Allomonas enterica Kalina et al. 1984 34:152* ALLORHIZOBIUM => RHIZOBIUM Allorhizobium undicola -> Rhizobium undicola ALTEROCOCCUS Shieh and Jean 1999 49:341 Alterococcus agarolyticus Shieh and Jean 1999 49:341 ALTEROMONAS Baumann et al. 1972 emend. Van Trappen et al. 2004 30:247 (AL) Alteromonas addita Ivanova et al. 2005 55:1067* Alteromonas atlantica -> Pseudoalteromonas atlantica Alteromonas aurantia -> Pseudoalteromonas aurantia Alteromonas carrageenovora -> Pseudoalteromonas carrageenovora Alteromonas citrea -> Pseudoalteromonas citrea Alteromonas colwelliana -> Shewanella colwelliana Alteromonas communis -> Marinomonas communis Alteromonas denitrificans -> Pseudoalteromonas denitrificans Alteromonas distincta -> Pseudoalteromonas distincta Alteromonas elyakovii -> Pseudoalteromonas elyakovii Alteromonas espejiana -> Pseudoalteromonas espejiana Alteromonas fuliginea Romanenko et al. 1995 45:879 Alteromonas haloplanktis -> Pseudoalteromonas haloplanktis Alteromonas hanedai -> Shewanella hanedai Alteromonas hispanica Mart¡nez-Checa et al. 2005 55:2389* Alteromonas litorea Yoon et al. 2004 54:1200* Alteromonas luteoviolacea -> Pseudoalteromonas luteoviolacea Alteromonas macleodii Baumann et al. 1972 emend. Yi et al. 2004 30:248 (AL) Alteromonas marina Yoon et al. 2003 53:1629* Alteromonas nigrifaciens -> Pseudoalteromonas nigrifaciens Alteromonas putrefaciens -> Shewanella putrefaciens Alteromonas rubra -> Pseudoalteromonas rubra Alteromonas stellipolaris Van Trappen et al. 2004 54:1162* Alteromonas tetraodonis -> Pseudoalteromonas tetraodonis Alteromonas undina -> Pseudoalteromonas undina Alteromonas vaga -> Marinomonas vaga ALYSIELLA Langeron 1923 30:248 (AL) Alysiella crassa (Schmid 1922) Xie and Yokota 2005 55:1395 Alysiella filiformis (Schmid 1922) Langeron 1923 30:248 (AL) AMARICOCCUS Maszenan et al. 1997 47:732* Amaricoccus kaplicensis Maszenan et al. 1997 47:733* Amaricoccus macauensis Maszenan et al. 1997 47:733* Amaricoccus tamworthensis Maszenan et al. 1997 47:733* Amaricoccus veronensis Maszenan et al. 1997 47:733* AMINOBACTER Urakami et al. 1992 emend K„mpfer et al. 2002 42:90* Aminobacter aganoensis Urakami et al. 1992 42:91* Aminobacter aminovorans (den Dooren de Jong 1926) Urakami et al. 1992 emend. K„mpfer et al. 2002 42:90* Aminobacter ciceronei McDonald et al. 2005 55:1830* Aminobacter lissarensis McDonald et al. 2005 55:1829* Aminobacter niigataensis Urakami et al. 1992 42:91* AMINOBACTERIUM Baena et al. 1999 49:1325 Aminobacterium colombiense Baena et al. 1999 49:1325 Aminobacterium mobile Baena et al. 2000 50:263* AMINOMONAS Baena et al. 1999 49:981* Aminomonas paucivorans Baena et al. 1999 49:981* AMMONIFEX Huber and Stetter 1996 46:836 Ammonifex degensii Huber and Stetter 1996 46:836 AMMONIPHILUS Zaitsev et al. 1998 48:161* Ammoniphilus oxalaticus Zaitsev et al. 1998 48:161* Ammoniphilus oxalivorans Zaitsev et al. 1998 48:161* AMOEBOBACTER Winogradsky 1888 emend. Guyoneaud et al. 1998 30:248 (AL) Amoebobacter pedioformis -> Thiolamprovum pedioforme Amoebobacter pendens -> Thiocapsa pendens Amoebobacter purpureus -> Lamprocystis purpurea Amoebobacter roseus -> Thiocapsa rosea AMORPHOSPORANGIUM -> ACTINOPLANES Amorphosporangium auranticolor -> Actinoplanes auranticolor Amorphosporangium globisporum -> Actinoplanes globisporus AMPHIBACILLUS Niimura et al. 1990 40:299* Amphibacillus fermentum Zhilina et al. 2002 52:685 Amphibacillus tropicus Zhilina et al. 2002 52:685 Amphibacillus xylanus Niimura et al. 1990 40:300* AMPULLARIELLA -> ACTINOPLANES Ampullariella campanulata -> Actinoplanes campanulatus Ampullariella digitata -> Actinoplanes digitatis Ampullariella lobata -> Actinoplanes lobatus Ampullariella regularis -> Actinoplanes regularis AMYCOLATA -> PSEUDONOCARDIA Amycolata alni -> Pseudonocardia alni Amycolata autotrophica -> Pseudonocardia autotrophica Amycolata hydrocarbonoxydans -> Pseudonocardia hydrocarbonoxydans Amycolata saturnea -> Pseudonocardia saturnea AMYCOLATOPSIS Lechevalier et al. 1986 36:34* Amycolatopsis alba Mertz and Yao 1993 43:719* Amycolatopsis albidoflavus Lee and Hah 2001 51:649* Amycolatopsis australiensis Tan et al. 2006 56:2299* Amycolatopsis azurea (Omura et al. 1983) Henssen et al. 1987 37:292* Amycolatopsis balhimycina Wink et al. 2003 53:935 Amycolatopsis benzoatilytica Majumdar et al. 2006 56:203* Amycolatopsis coloradensis Labeda 1995 45:126* Amycolatopsis decaplanina Wink et al. 2004 54:238* Amycolatopsis eurytherma Kim et al. 2002 52:893* Amycolatopsis fastidiosa (ex Celmer et al. 1977) Henssen et al. 1987 37:292* Amycolatopsis halotolerans Lee 2006 56:552* Amycolatopsis japonica Goodfellow et al. 1997 (corrig.) 47:915 Amycolatopsis jejuensis Lee 2006 56:552* Amycolatopsis kentuckyensis Labeda et al. 2003 53:1603* Amycolatopsis keratiniphila see: Amycolatopsis keratiniphila subsp. keratiniphila Amycolatopsis keratiniphila subsp. keratiniphila Al-Musallam et al. 2003 emend. Wink et al. 2003 53:935 Amycolatopsis keratiniphila subsp. nogabecina Wink et al. 2003 53:935 Amycolatopsis lexingtonensis Labeda et al. 2003 53:1603* Amycolatopsis lurida (Lechevalier et al. 1986) Stackebrandt et al. 2004 54:268* Amycolatopsis mediterranei (Margalith and Beretta 1960) Lechevalier et al. 1986 36:35* Amycolatopsis methanolica de Boer et al. 1990 40:203* Amycolatopsis minnesotensis Lee et al. 2006 56:268* Amycolatopsis orientalis see: Amycolatopsis orientalis subsp. orientalis Amycolatopsis orientalis subsp. lurida -> Amycolatopsis lurida Amycolatopsis orientalis subsp. orientalis (Pittenger and Brigham 1956) Lechevalier et al. 1986 36:35* Amycolatopsis palatopharyngis Huang et al. 2004 54:362* Amycolatopsis plumensis Saintpierre-Bonaccio et al. 2005 55:2060* Amycolatopsis pretoriensis Labeda et al. 2003 53:1605* Amycolatopsis rifamycinica Bala et al. 2004 54:1148* Amycolatopsis rubida Huang et al. 2001 51:1096* Amycolatopsis rugosa -> Prauserella rugosa Amycolatopsis sacchari Goodfellow et al. 2001 51:191* Amycolatopsis sulphurea Lechevalier et al. 1986 36:35* Amycolatopsis taiwanensis Tseng et al. 2006 56:1814* Amycolatopsis thermoflava Chun et al. 1999 49:1372* Amycolatopsis tolypomycina Wink et al. 2003 53:935 Amycolatopsis vancoresmycina Wink et al. 2003 53:935 ANAEROARCUS Str”mpl et al. 1999 49:1870* Anaeroarcus burkinensis (Ouattara et al. 1992) Str”mpl et al. 1999 (corrig.) 49:1870* ANAEROBACTER Duda et al. 1996 46:625 Anaerobacter polyendosporus Duda et al. 1996 46:625 ANAEROBACULUM Rees et al. 1997 emend. Menes and Mux¡ 2002 47:153* Anaerobaculum mobile Menes and Mux¡ 2002 52:163* Anaerobaculum thermoterrenum Rees et al. 1997 47:153* ANAEROBIOSPIRILLUM Davis et al. 1976 emend. Malnick 1997 30:249 (AL) Anaerobiospirillum succiniciproducens Davis et al. 1976 30:249 (AL) Anaerobiospirillum thomasii Malnick 1997 47:383* ANAEROBRANCA Engle et al. 1995 45:459* Anaerobranca californiensis Gorlenko et al. 2004 54:743* Anaerobranca gottschalkii Prowe and Antranikian 2001 51:464* Anaerobranca horikoshii Engle et al. 1995 45:459* ANAEROCOCCUS Ezaki et al. 2001 51:1526* Anaerococcus hydrogenalis (Ezaki et al. 1990) Ezaki et al. 2001 51:1526* Anaerococcus lactolyticus (Li et al. 1992) Ezaki et al. 2001 51:1527* Anaerococcus octavius (Murdoch et al. 1997) Ezaki et al. 2001 51:1527* Anaerococcus prevotii (Foubert and Douglas 1948) Ezaki et al. 2001 51:1526* Anaerococcus tetradius (Ezaki et al. 1983) Ezaki et al. 2001 51:1526* Anaerococcus vaginalis (Li et al. 1992) Ezaki et al. 2001 51:1527* ANAEROFILUM Zellner et al. 1996 46:874* Anaerofilum agile Zellner et al. 1996 46:874* Anaerofilum pentosovorans Zellner et al. 1996 46:874* ANAEROFUSTIS Finegold et al. 2004 54:1005 Anaerofustis stercorihominis Finegold et al. 2004 54:1005 ANAEROGLOBUS Carlier et al. 2002 52:986* Anaeroglobus geminatus Carlier et al. 2002 52:986* ANAEROLINEA Sekiguchi et al. 2003 emend. Yamada et al. 2006 53:1848* Anaerolinea thermolimosa Yamada et al. 2006 56:1338* Anaerolinea thermophila Sekiguchi et al. 2003 53:1850* ANAEROMUSA Baena et al. 1999 49:973* Anaeromusa acidaminophila Baena et al. 1999 49:973* ANAEROMYXOBACTER Sanford et al. 2002 52:1075 Anaeromyxobacter dehalogenans Sanford et al. 2002 52:1075 ANAEROPHAGA Denger et al. 2002 52:177* Anaerophaga thermohalophila Denger et al. 2002 52:177* ANAEROPLASMA Robinson et al. 1975 30:249 (AL) Anaeroplasma abactoclasticum Robinson et al. 1975 30:249 (AL) Anaeroplasma bactoclasticum (Robinson and Hungate 1973) Robinson and Allison 1975 30:249 (AL) Anaeroplasma intermedium Robinson and Freundt 1987 37:78* Anaeroplasma varium Robinson and Freundt 1987 37:78* ANAERORHABDUS Shah and Collins 1986 36:573 Anaerorhabdus furcosa (Veillon and Zuber 1898) Shah and Collins 1986 (corrig.) 36:573 Anaerorhabdus furcosus see: Anaerorhabdus furcosa ANAEROSINUS Str”mpl et al. 1999 49:1870* Anaerosinus glycerini (Schauder and Schink 1996) Str”mpl et al. 1999 49:1870* ANAEROSTIPES Schwiertz et al. 2002 52:1437 Anaerostipes caccae Schwiertz et al. 2002 52:1437 ANAEROTRUNCUS Lawson et al. 2004 54:415* Anaerotruncus colihominis Lawson et al. 2004 54:416* ANAEROVIBRIO Hungate 1966 30:250 (AL) Anaerovibrio burkinabensis -> Anaeroarcus burkinensis Anaerovibrio glycerini -> Anaerosinus glycerini Anaerovibrio lipolytica see: Anaerovibrio lipolyticus Anaerovibrio lipolyticus Hungate 1966 (corrig.) 30:250 (AL) ANAEROVORAX Matthies et al. 2000 50:1593* Anaerovorax odorimutans Matthies et al. 2000 50:1593* ANAPLASMA Theiler 1910 emend. Dumler et al. 2001 30:250 (AL) Anaplasma bovis (ex Donatien and Lestoquard 1936) Dumler et al. 2001 51:2158* Anaplasma caudatum (ex Kreier and Ristic 1963) Ristic and Kreier 1984 34:355 Anaplasma centrale (ex Theiler 1911) Ristic and Kreier 1984 34:355 Anaplasma marginale Theiler 1910 30:250 (AL) Anaplasma ovis Lestoquard 1924 30:250 (AL) Anaplasma phagocytophila see: Anaplasma phagocytophilum Anaplasma phagocytophilum (Foggie 1949) Dumler et al. 2001 (corrig.) 51:2158* Anaplasma platys Dumler et al. 2001 51:2159* ANCALOCHLORIS Gorlenko and Lebedeva 1971 30:250 (AL) Ancalochloris perfilievii Gorlenko and Lebedeva 1971 30:250 (AL) ANCALOMICROBIUM Staley 1968 30:250 (AL) Ancalomicrobium adetum Staley 1968 30:250 (AL) ANCYLOBACTER Raj 1983 33:397* Ancylobacter aquaticus (Orskov 1928) Raj 1983 33:397* Ancylobacter polymorphus Xin et al. 2006 56:1187* Ancylobacter rudongensis Xin et al. 2004 54:387* Ancylobacter vacuolatus Xin et al. 2006 56:1186* ANEURINIBACILLUS Shida et al. 1996 emend. Heyndrickx et al. 1997 46:945* Aneurinibacillus aneurinilyticus (Shida et al. 1994) Shida et al. 1996 emend. Heyndrickx et al. 1997 (corrig.) 46:945* Aneurinibacillus danicus Goto et al. 2004 54:426* Aneurinibacillus migulanus (Takagi et al. 1993) Shida et al. 1996 emend. Heyndrickx et al. 1997 46:945* Aneurinibacillus terranovensis Allan et al. 2005 55:1049* Aneurinibacillus thermoaerophilus (Meier-Stauffer et al. 1996) Heyndrickx et al. 1997 47:816* ANGIOCOCCUS (ex Jahn 1924) Hook et al. 1980 30:142* Angiococcus disciformis (Thaxter 1904) Hook et al. 1980 30:142* ANGULOMICROBIUM Vasil'eva et al. 1986 36:354 Angulomicrobium amanitiforme Fritz et al. 2004 54:656* Angulomicrobium tetraedrale Vasil'eva et al. 1986 36:354 ANOXYBACILLUS Pikuta et al. 2000 emend. Pikuta et al. 2003 50:2114* Anoxybacillus amylolyticus Poli et al. 2006 56:1459* Anoxybacillus ayderensis Dulger et al. 2004 54:1503* Anoxybacillus contaminans De Clerck et al. 2004 54:944* Anoxybacillus flavithermus Pikuta et al. 2000 50:2116* Anoxybacillus gonensis Belduz et al. 2003 53:1319* Anoxybacillus kamchatkensis Kevbrin et al. 2006 56:925 Anoxybacillus kestanbolensis Dulger et al. 2004 54:1503* Anoxybacillus pushchinensis see: Anoxybacillus pushchinoensis Anoxybacillus pushchinoensis Pikuta et al. 2000 emend. Pikuta et al. 2003 (corrig.) 50:2116* Anoxybacillus voinovskiensis Yumoto et al. 2004 54:1242* ANOXYNATRONUM Garnova et al. 2003 53:1219 Anoxynatronum sibiricum Garnova and Zhilina 2003 53:1219 ANTARCTOBACTER Labrenz et al. 1998 48:1369* Antarctobacter heliothermus Labrenz et al. 1998 48:1371* AQUABACTER Irgens et al. 1993 43:864 Aquabacter spiritensis Irgens et al. 1993 43:864 AQUABACTERIUM Kalmbach et al. 1999 49:775* Aquabacterium citratiphilum Kalmbach et al. 1999 49:776* Aquabacterium commune Kalmbach et al. 1999 49:776* Aquabacterium parvum Kalmbach et al. 1999 49:776* AQUAMICROBIUM Bambauer et al. 1998 48:631 Aquamicrobium defluvii Bambauer et al. 1998 48:631 AQUASPIRILLUM Hylemon et al. 1973 30:250 (AL) Aquaspirillum anulus -> Giesbergeria anulus Aquaspirillum aquaticum -> Comamonas aquatica Aquaspirillum arcticum Butler et al. 1990 40:320 Aquaspirillum autotrophicum -> Herbaspirillum autotrophicum Aquaspirillum bengal => Aquaspirillum serpens Aquaspirillum delicatum -> Curvibacter delicatus Aquaspirillum dispar => Microvirgula aerodenitrificans Aquaspirillum fasciculus -> Prolinoborus fasciculus Aquaspirillum giesbergeri -> Giesbergeria giesbergeri Aquaspirillum gracile -> Hylemonella gracilis Aquaspirillum itersonii see: Aquaspirillum itersonii subsp. itersonii Aquaspirillum itersonii subsp. itersonii (Giesberger 1936) Hylemon et al. 1973 30:251 (AL) Aquaspirillum itersonii subsp. nipponicum (Terasaki 1973) Terasaki 1979 30:251 (AL) Aquaspirillum magnetotacticum -> Magnetospirillum magnetotacticum Aquaspirillum metamorphum -> Simplicispira metamorpha Aquaspirillum peregrinum see: Aquaspirillum peregrinum subsp. peregrinum Aquaspirillum peregrinum subsp. integrum (Terasaki 1973) Terasaki 1979 30:252 (AL) Aquaspirillum peregrinum subsp. peregrinum (Pretorius 1963) Hylemon et al. 1973 30:252 (AL) Aquaspirillum polymorphum (Williams and Rittenberg 1957) Hylemon et al. 1973 30:252 (AL) Aquaspirillum psychrophilum -> Simplicispira psychrophila Aquaspirillum putridiconchylium (Terasaki 1961) Hylemon et al. 1973 30:252 (AL) Aquaspirillum serpens (Mller 1786) Hylemon et al. 1973 30:252 (AL) Aquaspirillum sinuosum -> Giesbergeria sinuosa AQUICELLA Santos et al. 2004 54:1 Aquicella lusitana Santos et al. 2004 54:1 Aquicella siphonis Santos et al. 2004 54:1 AQUIFEX Huber and Stetter 1992 42:656 Aquifex pyrophilus Huber and Stetter 1992 42:656 AQUIFLEXUM Brettar et al. 2004 54:2339* Aquiflexum balticum Brettar et al. 2004 54:2339 AQUIMARINA Nedashkovskaya et al. 2005 emend. Nedashkovskaya et al. 2006 55:227* Aquimarina brevivitae (Yoon et al. 2006) Nedashkovskaya et al. 2006 56:2040* Aquimarina intermedia Nedashkovskaya et al. 2006 56:2039* Aquimarina latercula (Lewin 1969) Nedashkovskaya et al. 2006 56:2040* Aquimarina muelleri Nedashkovskaya et al. 2005 55:227* AQUIMONAS Saha et al. 2005 55:1493* Aquimonas voraii Saha et al. 2005 55:1494* AQUITALEA Lau et al. 2006 56:870* Aquitalea magnusonii Lau et al. 2006 56:871* ARACHNIA Pine and Georg 1969 30:252 (AL) Arachnia propionica -> Propionibacterium propionicum ARCANOBACTERIUM Collins et al. 1983 emend. Lehnen et al. 2006 33:438 Arcanobacterium bernardiae (Funke et al. 1995) Pascual Ramos et al. 1997 47:51* Arcanobacterium bialowiezense Lehnen et al. 2006 56:864* Arcanobacterium bonasi Lehnen et al. 2006 56:865* Arcanobacterium haemolyticum (ex Mac Lean et al. 1946) Collins et al. 1983 33:438 Arcanobacterium hippocoleae Hoyles et al. 2002 52:619* Arcanobacterium phocae Pascual Ramos et al. 1997 47:52* Arcanobacterium pluranimalium Lawson et al. 2001 51:58* Arcanobacterium pyogenes (Glage 1903) Pascual Ramos et al. 1997 47:51* ARCHAEOGLOBUS Stetter 1988 38:328 Archaeoglobus fulgidus Stetter 1988 38:328 Archaeoglobus profundus Burggraf et al. 1990 40:320 Archaeoglobus veneficus Huber et al. 1998 48:327 ARCHANGIUM Jahn 1924 30:253 (AL) Archangium gephyra Jahn 1924 30:253 (AL) ARCICELLA Nikitin et al. 2004 54:684* Arcicella aquatica Nikitin et al. 2004 54:684* ARCOBACTER Vandamme et al. 1991 41:99* Arcobacter butzleri (Kiehlbauch et al. 1991) Vandamme et al. 1992 42:355* Arcobacter cibarius Houf et al. 2005 55:716* Arcobacter cryaerophilus (Neill et al. 1985) Vandamme et al. 1991 41:100* Arcobacter halophilus Donachie et al. 2005 55:1276* Arcobacter nitrofigilis (McClung et al. 1983) Vandamme et al. 1991 41:100* Arcobacter skirrowii Vandamme et al. 1992 42:355* ARENIBACTER Ivanova et al. 2001 emend. Nedashkovskaya et al. 2006 51:1992* Arenibacter certesii Nedashkovskaya et al. 2004 54:1175* Arenibacter latericius Ivanova et al. 2001 emend. Nedashkovskaya et al. 2006 51:1994* Arenibacter palladensis Nedashkovskaya et al. 2006 56:159* Arenibacter troitsensis Nedashkovskaya et al. 2003 53:1289* ARHODOMONAS Adkins et al. 1993 43:518* Arhodomonas aquaeolei Adkins et al. 1993 43:518* ARSENICICOCCUS Collins et al. 2004 54:607* Arsenicicoccus bolidensis Collins et al. 2004 54:608* ARSENOPHONUS Gherna et al. 1991 41:564* Arsenophonus nasoniae Gherna et al. 1991 41:564* ARTHROBACTER Conn and Dimmick 1947 emend. Koch et al. 1995 30:253 (AL) Arthrobacter agilis (Ali-Cohen 1889) Koch et al. 1995 45:838* Arthrobacter albus Wauters et al. 2000 50:1699 Arthrobacter ardleyensis Chen et al. 2005 55:2235 Arthrobacter arilaitensis Irlinger et al. 2005 55:460* Arthrobacter atrocyaneus Kuhn and Starr 1960 30:253 (AL) Arthrobacter aurescens Phillips 1953 30:253 (AL) Arthrobacter bergerei Irlinger et al. 2005 55:460* Arthrobacter castelli Heyrman et al. 2005 55:1461* Arthrobacter chlorophenolicus Westerberg et al. 2000 50:2090* Arthrobacter citreus Sacks 1954 30:253 (AL) Arthrobacter creatinolyticus Hou et al. 1998 48:428* Arthrobacter crystallopoietes Ensign and Rittenberg 1963 30:253 (AL) Arthrobacter cumminsii Funke et al. 1997 emend. Funke et al. 1998 47:242 Arthrobacter duodecadis -> Tetrasphaera duodecadis Arthrobacter flavescens -> Microbacterium flavescens Arthrobacter flavus Reddy et al. 2000 50:1559* Arthrobacter gandavensis Storms et al. 2003 53:1883* Arthrobacter gangotriensis Gupta et al. 2004 54:2376* Arthrobacter globiformis (Conn 1928) Conn and Dimmick 1947 30:253 (AL) Arthrobacter histidinolovorans Adams 1954 30:253 (AL) Arthrobacter ilicis (Mandel et al. 1961) Collins et al. 1982 32:384 Arthrobacter kerguelensis Gupta et al. 2004 54:2377* Arthrobacter koreensis Lee et al. 2003 53:1280* Arthrobacter luteolus Wauters et al. 2000 50:1699 Arthrobacter methylotrophus Borodina et al. 2002 52:685 Arthrobacter monumenti Heyrman et al. 2005 55:1462* Arthrobacter mysorens Nand and Rao 1972 30:253 (AL) Arthrobacter nasiphocae Collins et al. 2002 52:571* Arthrobacter nicotianae Giovannozzi-Sermanni 1959 30:253 (AL) Arthrobacter nicotinovorans Kodama et al. 1992 42:237* Arthrobacter nitroguajacolicus Kotouckov  et al. 2004 54:777* Arthrobacter oxydans Sguros 1954 30:253 (AL) Arthrobacter parietis Heyrman et al. 2005 55:1462* Arthrobacter pascens Lochhead and Burton 1953 30:253 (AL) Arthrobacter picolinophilus => Rhodococcus erythropolis Arthrobacter pigmenti Heyrman et al. 2005 55:1462* Arthrobacter polychromogenes Schippers-Lammertse et al. 1963 30:254 (AL) Arthrobacter protophormiae (Lysenko 1959) Stackebrandt et al. 1984 34:270 Arthrobacter psychrolactophilus Loveland-Curtze et al. 2000 50:3 Arthrobacter psychrophenolicus Margesin et al. 2004 54:2071* Arthrobacter radiotolerans -> Rubrobacter radiotolerans Arthrobacter ramosus Jensen 1960 30:254 (AL) Arthrobacter rhombi Osorio et al. 1999 49:1220* Arthrobacter roseus Reddy et al. 2002 52:1020* Arthrobacter russicus Li et al. 2004 54:834* Arthrobacter scleromae Huang et al. 2005 55:1743 Arthrobacter siderocapsulatus => Pseudomonas putida Arthrobacter simplex -> Nocardioides simplex Arthrobacter stackebrandtii Tvrzov  et al. 2005 55:808* Arthrobacter sulfonivorans Borodina et al. 2002 52:685 Arthrobacter sulfureus Stackebrandt et al. 1984 34:270 Arthrobacter tecti Heyrman et al. 2005 55:1463* Arthrobacter terregens -> Microbacterium terregens Arthrobacter tumbae Heyrman et al. 2005 55:1463* Arthrobacter tumescens -> Terrabacter tumescens Arthrobacter uratoxydans Stackebrandt et al. 1984 34:270 Arthrobacter ureafaciens (Krebs and Eggleston 1939) Clark 1955 30:254 (AL) Arthrobacter variabilis -> Corynebacterium variabile Arthrobacter viscosus Gasdorf et al. 1965 30:254 (AL) Arthrobacter woluwensis Funke et al. 1997 47:242 ASAIA Yamada et al. 2000 50:828* Asaia bogorensis Yamada et al. 2000 50:828* Asaia krungthepensis Yukphan et al. 2004 54:315* Asaia siamensis Katsura et al. 2001 51:562* ASANOA Lee and Hah 2002 52:970* Asanoa ferruginea (Asano and Kawamoto 1986) Lee and Hah 2002 52:970* Asanoa iriomotensis Tamura and Sakane 2005 55:727* Asanoa ishikariensis Lee and Hah 2002 52:971* ASTEROLEPLASMA Robinson and Freundt 1987 37:78* Asteroleplasma anaerobium Robinson and Freundt 1987 37:78* ASTICCACAULIS Poindexter 1964 30:254 (AL) Asticcacaulis benevestitus Vasilyeva et al. 2006 56:2087* Asticcacaulis biprosthecium Pate et al. 1973 30:254 (AL) Asticcacaulis excentricus Poindexter 1964 30:254 (AL) Asticcacaulis taihuensis Liu et al. 2005 55:1241* ATOPOBACTER Lawson et al. 2000 50:1758* Atopobacter phocae Lawson et al. 2000 50:1759* ATOPOBIUM Collins and Wallbanks 1993 43:188 Atopobium fossor (Bailey and Love 1986) Kageyama et al. 1999 49:1325 Atopobium minutum (Hauduroy et al. 1937) Collins and Wallbanks 1993 43:188 Atopobium parvulum (Weinberg et al. 1937) Collins and Wallbanks 1993 43:188 Atopobium rimae (Olsen et al. 1991) Collins and Wallbanks 1993 43:188 Atopobium vaginae Rodriguez Jovita et al. 1999 49:1575* ATOPOCOCCUS Collins et al. 2005 55:1695* Atopococcus tabaci Collins et al. 2005 55:1696* ATOPOSTIPES Cotta et al. 2004 54:1425 Atopostipes suicloacalis Cotta et al. 2004 (corrig.) 54:1425 AURANTIMONAS Denner et al. 2003 53:1120* Aurantimonas coralicida Denner et al. 2003 53:1120* AUREOBACTERIUM => MICROBACTERIUM Aureobacterium arabinogalactanolyticum -> Microbacterium arabinogalactanolyticum Aureobacterium barkeri -> Microbacterium barkeri Aureobacterium esteraromaticum -> Microbacterium esteraromaticum Aureobacterium flavescens -> Microbacterium flavescens Aureobacterium keratanolyticum -> Microbacterium keratanolyticum Aureobacterium liquefaciens -> Microbacterium liquefaciens Aureobacterium luteolum -> Microbacterium luteolum Aureobacterium resistens -> Microbacterium resistens Aureobacterium saperdae -> Microbacterium saperdae Aureobacterium schleiferi -> Microbacterium schleiferi Aureobacterium terrae -> Microbacterium terrae Aureobacterium terregens -> Microbacterium terregens Aureobacterium testaceum -> Microbacterium testaceum Aureobacterium trichothecenolyticum -> Microbacterium trichothecenolyticum AVIBACTERIUM Blackall et al. 2005 55:359* Avibacterium avium (Hinz and Kunjara 1977) Blackall et al. 2005 55:360* Avibacterium gallinarum (Hall et al. 1955) Blackall et al. 2005 55:359* Avibacterium paragallinarum (Biberstein and White 1969) Blackall et al. 2005 55:360* Avibacterium volantium (Mutters et al. 1985) Blackall et al. 2005 55:360* AZOARCUS Reinhold-Hurek et al. 1993 43:582* Azoarcus anaerobius Springer et al. 1998 48:954* Azoarcus buckelii Mechichi et al. 2002 52:1437 Azoarcus communis Reinhold-Hurek et al. 1993 43:583* Azoarcus evansii Anders et al. 1995 45:331* Azoarcus indigens Reinhold-Hurek et al. 1993 43:583* Azoarcus toluclasticus Song et al. 1999 49:1139* Azoarcus tolulyticus Zhou et al. 1995 45:505* Azoarcus toluvorans Song et al. 1999 49:1139* AZOHYDROMONAS Xie and Yokota 2005 55:2422* Azohydromonas australica Xie and Yokota 2005 55:2424* Azohydromonas lata (Palleroni and Palleroni 1978) Xie and Yokota 2005 55:2423* AZOMONAS Winogradsky 1938 30:254 (AL) Azomonas agilis (Beijerinck 1901) Winogradsky 1938 30:254 (AL) Azomonas insignis (Derx 1951) Jensen 1955 30:255 (AL) Azomonas macrocytogenes (Jensen 1955) New and Tchan 1982 32:381* AZOMONOTRICHON -> AZOMONAS Azomonotrichon macrocytogenes -> Azomonas macrocytogenes AZONEXUS Reinhold-Hurek and Hurek 2000 50:658* Azonexus caeni Quan et al. 2006 56:1046* Azonexus fungiphilus Reinhold-Hurek and Hurek 2000 50:658* AZORHIZOBIUM Dreyfus et al. 1988 38:89* Azorhizobium caulinodans Dreyfus et al. 1988 38:89* Azorhizobium doebereinerae Moreira et al. 2006 56:1459* AZORHIZOPHILUS Thompson and Skerman 1981 31:215 Azorhizophilus paspali (D”bereiner 1966) Thompson and Skerman 1981 31:215 AZOSPIRA Reinhold-Hurek and Hurek 2000 50:658* Azospira oryzae Reinhold-Hurek and Hurek 2000 emend. Tan and Reinhold-Hurek 2003 50:658* AZOSPIRILLUM Tarrand et al. 1979 emend. Falk et al. 1985 30:255 (AL) Azospirillum amazonense Magalhaes et al. 1984 34:355 Azospirillum brasilense Tarrand et al. 1979 30:255 (AL) Azospirillum doebereinerae Eckert et al. 2001 51:24* Azospirillum halopraeferens Reinhold et al. 1987 37:43* Azospirillum irakense Khammas et al. 1991 41:580 Azospirillum largimobile (Skerman et al. 1983) Ben Dekhil et al. 1997 (corrig.) 47:915 Azospirillum largomobile see: Azospirillum largimobile Azospirillum lipoferum (Beijerinck 1925) Tarrand et al. 1979 30:255 (AL) Azospirillum melinis Peng et al. 2006 56:1268* Azospirillum oryzae Xie and Yokota 2005 55:1437* AZOTOBACTER Beijerinck 1901 30:255 (AL) Azotobacter armeniacus Thompson and Skerman 1981 31:215 Azotobacter beijerinckii Lipman 1904 30:255 (AL) Azotobacter chroococcum Beijerinck 1901 30:255 (AL) Azotobacter macrocytogenes -> Azomonas macrocytogenes Azotobacter nigricans see: Azotobacter nigricans subsp. nigricans Azotobacter nigricans subsp. achromogenes Thompson and Skerman 1981 31:215 Azotobacter nigricans subsp. nigricans Krassilnikov 1949 31:215 Azotobacter paspali -> Azorhizophilus paspali Azotobacter salinestris Page and Shivprasad 1991 41:374* Azotobacter vinelandii Lipman 1903 30:256 (AL) AZOVIBRIO Reinhold-Hurek and Hurek 2000 50:657* Azovibrio restrictus Reinhold-Hurek and Hurek 2000 50:657* BACILLUS Cohn 1872 30:256 (AL) Bacillus acidicola Albert et al. 2005 55:2129* Bacillus acidocaldarius -> Alicyclobacillus acidocaldarius subsp. acidocaldarius Bacillus acidoterrestris -> Alicyclobacillus acidoterrestris Bacillus aeolius Gugliandolo et al. 2003 53:1701 Bacillus aerius Shivaji et al. 2006 56:1471* Bacillus aerophilus Shivaji et al. 2006 56:1471* Bacillus agaradhaerens Nielsen et al. 1995 45:879 Bacillus agri -> Brevibacillus agri Bacillus akibai Nogi et al. 2005 55:2314* Bacillus alcalophilus Vedder 1934 30:256 (AL) Bacillus alcalophilus subsp. halodurans -> Bacillus halodurans Bacillus algicola Ivanova et al. 2004 54:1425 Bacillus alginolyticus -> Paenibacillus alginolyticus Bacillus altitudinis Shivaji et al. 2006 56:1472* Bacillus alveayuensis Bae et al. 2005 55:1214* Bacillus alvei -> Paenibacillus alvei Bacillus amyloliquefaciens (ex Fukumoto 1943) Priest et al. 1987 37:69* Bacillus amylolyticus -> Paenibacillus amylolyticus Bacillus aneurinilyticus (corrig.) -> Aneurinibacillus aneurinilyticus Bacillus aneurinolyticus see: Bacillus aneurinilyticus Bacillus anthracis Cohn 1872 30:256 (AL) Bacillus aquimaris Yoon et al. 2003 53:1302* Bacillus arenosi Heyrman et al. 2005 55:115* Bacillus arseniciselenatis Switzer Blum et al. 2001 (corrig.) 51:793 Bacillus arsenicoselenatis see: Bacillus arseniciselenatis Bacillus arsenicus Shivaji et al. 2005 55:1126* Bacillus arvi Heyrman et al. 2005 55:115* Bacillus asahii Yumoto et al. 2004 54:2000* Bacillus atrophaeus Nakamura 1989 39:299* Bacillus axarquiensis Ruiz-Garc¡a et al. 2005 55:1283* Bacillus azotofixans -> Paenibacillus azotofixans Bacillus azotoformans (ex Pichinoty et al. 1976) Pichinoty et al. 1983 33:660* Bacillus badius Batchelor 1919 30:256 (AL) Bacillus barbaricus T„ubel et al. 2003 53:729* Bacillus bataviensis Heyrman et al. 2004 54:56* Bacillus benzoevorans Pichinoty et al. 1987 37:179 Bacillus bogoriensis Vargas et al. 2005 55:901* Bacillus borstelensis -> Brevibacillus borstelensis Bacillus brevis -> Brevibacillus brevis Bacillus carboniphilus Fujita et al. 1996 46:118* Bacillus cellulosilyticus Nogi et al. 2005 55:2314* Bacillus centrosporus -> Brevibacillus centrosporus Bacillus cereus Frankland and Frankland 1887 30:256 (AL) Bacillus chitinolyticus -> Paenibacillus chitinolyticus Bacillus chondroitinus -> Paenibacillus chondroitinus Bacillus choshinensis -> Brevibacillus choshinensis Bacillus cibi Yoon et al. 2005 55:735* Bacillus circulans Jordan 1890 30:256 (AL) Bacillus clarkii Nielsen et al. 1995 45:879 Bacillus clausii Nielsen et al. 1995 45:879 Bacillus coagulans Hammer 1915 emend. De Clerck et al. 2004 30:256 (AL) Bacillus cohnii Spanka and Fritze 1993 43:155* Bacillus curdlanolyticus -> Paenibacillus curdlanolyticus Bacillus cycloheptanicus -> Alicyclobacillus cycloheptanicus Bacillus decolorationis Heyrman et al. 2003 53:462* Bacillus dipsosauri -> Gracilibacillus dipsosauri Bacillus drentensis Heyrman et al. 2004 54:56* Bacillus edaphicus Shelobolina et al. 1998 48:631 Bacillus ehimensis -> Paenibacillus ehimensis Bacillus endophyticus Reva et al. 2002 52:106* Bacillus farraginis Scheldeman et al. 2004 54:1362* Bacillus fastidiosus den Dooren de Jong 1929 30:256 (AL) Bacillus firmus Bredemann and Werner 1933 30:256 (AL) Bacillus flexus (ex Batchelor 1919) Priest et al. 1989 39:93 Bacillus fordii Scheldeman et al. 2004 54:1363* Bacillus formosus -> Brevibacillus formosus Bacillus fortis Scheldeman et al. 2004 54:1362* Bacillus fumarioli Logan et al. 2000 50:1751* Bacillus funiculus Ajithkumar et al. 2002 52:1143* Bacillus fusiformis (ex Meyer and Gottheil 1901) Priest et al. 1989 39:93 Bacillus galactophilus => Brevibacillus agri Bacillus galactosidilyticus Heyndrickx et al. 2004 54:620* Bacillus gelatini De Clerck et al. 2004 54:945* Bacillus gibsonii Nielsen et al. 1995 45:879 Bacillus globisporus -> Sporosarcina globispora Bacillus globisporus subsp. globisporus see: Bacillus globisporus Bacillus globisporus subsp. marinus -> Marinibacillus marinus Bacillus glucanolyticus -> Paenibacillus glucanolyticus Bacillus gordonae -> Paenibacillus gordonae Bacillus halmapalus Nielsen et al. 1995 45:879 Bacillus haloalkaliphilus -> Alkalibacillus haloalkaliphilus Bacillus halodenitrificans -> Virgibacillus halodenitrificans Bacillus halodurans (ex Boyer 1973) Nielsen et al. 1995 45:879 Bacillus halophilus Ventosa et al. 1990 40:105 Bacillus hemicellulosilyticus Nogi et al. 2005 55:2314* Bacillus herbersteinensis Wieser et al. 2005 55:2122* Bacillus horikoshii Nielsen et al. 1995 45:879 Bacillus horti Yumoto et al. 1998 48:570* Bacillus humi Heyrman et al. 2005 55:116* Bacillus hwajinpoensis Yoon et al. 2004 54:807* Bacillus indicus Suresh et al. 2004 54:1374* Bacillus infernus Boone et al. 1995 45:447* Bacillus insolitus Larkin and Stokes 1967 30:257 (AL) Bacillus jeotgali Yoon et al. 2001 51:1091* Bacillus kaustophilus -> Geobacillus kaustophilus Bacillus kobensis -> Paenibacillus kobensis Bacillus koreensis Lim et al. 2006 56:62* Bacillus krulwichiae Yumoto et al. 2003 53:1536* Bacillus laevolacticus (ex Nakayama and Yanoshi 1967) Andersch et al. 1994 44:663* Bacillus larvae -> Paenibacillus larvae Bacillus laterosporus -> Brevibacillus laterosporus Bacillus lautus -> Paenibacillus lautus Bacillus lentimorbus -> Paenibacillus lentimorbus Bacillus lentus Gibson 1935 30:257 (AL) Bacillus licheniformis (Weigmann 1898) Chester 1901 30:257 (AL) Bacillus litoralis Yoon and Oh 2005 55:1947* Bacillus luciferensis Logan et al. 2002 52:1988* Bacillus macauensis Zhang et al. 2006 56:352* Bacillus macerans -> Paenibacillus macerans Bacillus macquariensis -> Paenibacillus macquariensis Bacillus macyae Santini et al. 2004 54:2244* Bacillus malacitensis Ruiz-Garc¡a et al. 2005 55:1284* Bacillus mannanilyticus Nogi et al. 2005 55:2314* Bacillus marinus -> Marinibacillus marinus Bacillus marisflavi Yoon et al. 2003 53:1302* Bacillus marismortui -> Virgibacillus marismortui Bacillus massiliensis Glazunova et al. 2006 56:1487* Bacillus megaterium de Bary 1884 30:257 (AL) Bacillus methanolicus Arfman et al. 1992 42:444* Bacillus migulanus -> Aneurinibacillus migulanus Bacillus mojavensis Roberts et al. 1994 44:263* Bacillus mucilaginosus Avakyan et al. 1998 48:631 Bacillus muralis Heyrman et al. 2005 55:129* Bacillus mycoides Flgge 1886 30:257 (AL) Bacillus naganoensis Tomimura et al. 1990 40:124* Bacillus nealsonii Venkateswaran et al. 2003 53:171* Bacillus neidei Nakamura et al. 2002 52:504* Bacillus niacini Nagel and Andreesen 1991 41:137* Bacillus novalis Heyrman et al. 2004 54:54* Bacillus odysseyi La Duc et al. 2004 54:200* Bacillus okhensis Nowlan et al. 2006 56:1076* Bacillus okuhidensis Li et al. 2002 52:1208* Bacillus oleronius Kuhnigk et al. 1996 46:625 Bacillus oshimensis Yumoto et al. 2005 55:910* Bacillus pabuli -> Paenibacillus pabuli Bacillus pallidus -> Geobacillus pallidus Bacillus pantothenticus -> Virgibacillus pantothenticus Bacillus parabrevis -> Brevibacillus parabrevis Bacillus pasteurii -> Sporosarcina pasteurii Bacillus patagoniensis Olivera et al. 2005 55:446* Bacillus peoriae -> Paenibacillus peoriae Bacillus polymyxa -> Paenibacillus polymyxa Bacillus popilliae -> Paenibacillus popilliae Bacillus pseudalcaliphilus Nielsen et al. 1995 45:879 Bacillus pseudofirmus Nielsen et al. 1995 45:879 Bacillus pseudomycoides Nakamura 1998 48:1035* Bacillus psychrodurans Abd El-Rahman et al. 2002 52:2132* Bacillus psychrophilus -> Sporosarcina psychrophila Bacillus psychrosaccharolyticus (ex Larkin and Stokes 1967) Priest et al. 1989 39:93 Bacillus psychrotolerans Abd El-Rahman et al. 2002 52:2131* Bacillus pulvifaciens -> Paenibacillus larvae subsp. pulvifaciens Bacillus pumilus Meyer and Gottheil 1901 30:257 (AL) Bacillus pycnus Nakamura et al. 2002 52:504* Bacillus reuszeri -> Brevibacillus reuszeri Bacillus ruris Heyndrickx et al. 2005 55:2553* Bacillus safensis Satomi et al. 2006 56:1739* Bacillus salarius Lim et al. 2006 56:376* Bacillus salexigens -> Virgibacillus salexigens Bacillus saliphilus Romano et al. 2005 55:162* Bacillus schlegelii Schenk and Aragno 1981 31:215 Bacillus selenitireducens Switzer Blum et al. 2001 51:793 Bacillus seohaeanensis Lee et al. 2006 56:1896* Bacillus shackletonii Logan et al. 2004 54:375* Bacillus silvestris Rheims et al. 1999 49:800* Bacillus simplex Priest et al. 1989 emend. Heyrman et al. 2005 39:93 Bacillus siralis Pettersson et al. 2000 50:2186* Bacillus smithii Nakamura et al. 1988 38:63* Bacillus soli Heyrman et al. 2004 54:55* Bacillus sonorensis Palmisano et al. 2001 51:1678* Bacillus sphaericus Meyer and Neide 1904 30:257 (AL) Bacillus sphaericus subsp. fusiformis -> Bacillus fusiformis Bacillus sporothermodurans Petterson et al. 1996 46:763* Bacillus stearothermophilus -> Geobacillus stearothermophilus Bacillus stratosphericus Shivaji et al. 2006 56:1471* Bacillus subterraneus Kanso et al. 2002 52:873* Bacillus subtilis see: Bacillus subtilis subsp. subtilis Bacillus subtilis subsp. spizizenii Nakamura et al. 1999 49:1214* Bacillus subtilis subsp. subtilis (Ehrenberg 1835) Cohn 1872 49:1214* Bacillus tequilensis Gatson et al. 2006 56:1481* Bacillus thermantarcticus Nicolaus et al. 2002 (corrig.) 52:3 Bacillus thermoaerophilus -> Aneurinibacillus thermoaerophilus Bacillus thermoamylovorans Combet-Blanc et al. 1995 45:15* Bacillus thermoantarcticus see: Bacillus thermantarcticus Bacillus thermocatenulatus -> Geobacillus thermocatenulatus Bacillus thermocloacae Demharter and Hensel 1989 39:495 Bacillus thermodenitrificans -> Geobacillus thermodenitrificans Bacillus thermoglucosidasius -> Geobacillus thermoglucosidasius Bacillus thermoleovorans -> Geobacillus thermoleovorans Bacillus thermoruber -> Brevibacillus thermoruber Bacillus thermosphaericus -> Ureibacillus thermosphaericus Bacillus thiaminolyticus -> Paenibacillus thiaminolyticus Bacillus thuringiensis Berliner 1915 30:258 (AL) Bacillus tusciae Bonjour and Aragno 1985 35:223 Bacillus validus -> Paenibacillus validus Bacillus vallismortis Roberts et al. 1996 46:474* Bacillus vedderi Agnew et al. 1996 46:362 Bacillus velezensis Ruiz-Garc¡a et al. 2005 55:195* Bacillus vietnamensis Noguchi et al. 2004 54:2119* Bacillus vireti Heyrman et al. 2004 54:55* Bacillus vulcani -> Geobacillus vulcani Bacillus wakoensis Nogi et al. 2005 55:2312* Bacillus weihenstephanensis Lechner et al. 1998 48:1380* BACTERIONEMA -> CORYNEBACTERIUM Bacterionema matruchotii -> Corynebacterium matruchotii BACTERIOVORAX Baer et al. 2000 50:222* Bacteriovorax litoralis Baer et al. 2004 54:1015* Bacteriovorax marinus Baer et al. 2004 54:1015* Bacteriovorax starrii -> Peredibacter starrii Bacteriovorax stolpii (Seidler et al. 1972) Baer et al. 2000 50:223* BACTEROIDES Castellani and Chalmers 1919 emend. Shah and Collins 1989 30:258 (AL) Bacteroides acidifaciens Miyamoto and Itoh 2000 50:148* Bacteroides amylophilus -> Ruminobacter amylophilus Bacteroides asaccharolyticus -> Porphyromonas asaccharolytica Bacteroides bivius -> Prevotella bivia Bacteroides buccae -> Prevotella buccae Bacteroides buccalis -> Prevotella buccalis Bacteroides caccae Johnson et al. 1986 36:499* Bacteroides capillosus (Tissier 1908) Kelly 1957 30:258 (AL) Bacteroides capillus => Prevotella buccae Bacteroides cellulosolvens Murray et al. 1984 34:185* Bacteroides coagulans Eggerth and Gagnon 1933 30:258 (AL) Bacteroides coprocola Kitahara et al. 2005 55:2146* Bacteroides coprosuis Whitehead et al. 2005 55:2517* Bacteroides corporis -> Prevotella corporis Bacteroides denticola -> Prevotella denticola Bacteroides disiens -> Prevotella disiens Bacteroides distasonis -> Parabacteroides distasonis Bacteroides dorei Bakir et al. 2006 56:1642* Bacteroides eggerthii Holdeman and Moore 1974 30:259 (AL) Bacteroides endodontalis -> Porphyromonas endodontalis Bacteroides finegoldii Bakir et al. 2006 56:934* Bacteroides forsythus -> Tannerella forsythensis Bacteroides fragilis (Veillon and Zuber 1898) Castellani and Chalmers 1919 30:259 (AL) Bacteroides furcosus -> Anaerorhabdus furcosa Bacteroides galacturonicus Jensen and Canale-Parola 1987 37:179 Bacteroides gingivalis -> Porphyromonas gingivalis Bacteroides goldsteinii -> Parabacteroides goldsteinii Bacteroides gracilis -> Campylobacter gracilis Bacteroides helcogenes Benno et al. 1983 33:896 Bacteroides heparinolyticus -> Prevotella heparinolytica Bacteroides hypermegas -> Megamonas hypermegale Bacteroides intermedius -> Prevotella intermedia Bacteroides intestinalis Bakir et al. 2006 56:153* Bacteroides levii -> Porphyromonas levii Bacteroides loescheii -> Prevotella loescheii Bacteroides macacae -> Porphyromonas macacae Bacteroides massiliensis Fenner et al. 2005 55:1337* Bacteroides melaninogenicus -> Prevotella melaninogenica Bacteroides melaninogenicus subsp. intermedius -> Prevotella intermedia Bacteroides melaninogenicus subsp. macacae -> Porphyromonas macacae Bacteroides melaninogenicus subsp. melaninogenicus -> Prevotella melaninogenica Bacteroides merdae -> Parabacteroides merdae Bacteroides microfusus -> Rikenella microfusus Bacteroides multiacidus -> Mitsuokella multacida Bacteroides nodosus -> Dichelobacter nodosus Bacteroides nordii Song et al. 2005 55:983 Bacteroides ochraceus -> Capnocytophaga ochracea Bacteroides oralis -> Prevotella oralis Bacteroides oris -> Prevotella oris Bacteroides oulorum -> Prevotella oulorum Bacteroides ovatus Eggerth and Gagnon 1933 30:260 (AL) Bacteroides pectinophilus Jensen and Canale-Parola 1987 37:179 Bacteroides pentosaceus => Prevotella buccae Bacteroides plebeius Kitahara et al. 2005 55:2146* Bacteroides pneumosintes -> Dialister pneumosintes Bacteroides polypragmatus Patel and Breuil 1982 32:266 Bacteroides praeacutus -> Tissierella praeacuta Bacteroides putredinis -> Alistipes putredinis Bacteroides pyogenes Benno et al. 1983 33:896 Bacteroides ruminicola -> Prevotella ruminicola subsp. ruminicola Bacteroides ruminicola subsp. brevis -> Prevotella brevis Bacteroides ruminicola subsp. ruminicola -> Prevotella ruminicola subsp. ruminicola Bacteroides salivosus -> Porphyromonas salivosa Bacteroides salyersiae Song et al. 2005 (corrig.) 55:983 Bacteroides splanchnicus Werner et al. 1975 30:260 (AL) Bacteroides stercoris Johnson et al. 1986 36:499* Bacteroides succinogenes -> Fibrobacter succinogenes subsp. succinogenes Bacteroides suis Benno et al. 1983 33:896 Bacteroides tectum see: Bacteroides tectus Bacteroides tectus Love et al. 1986 (corrig.) 36:123* Bacteroides termitidis -> Sebaldella termitidis Bacteroides thetaiotaomicron (Distaso 1912) Castellani and Chalmers 1919 30:261 (AL) Bacteroides uniformis Eggerth and Gagnon 1933 30:261 (AL) Bacteroides ureolyticus Jackson and Goodman 1978 30:261 (AL) Bacteroides veroralis -> Prevotella veroralis Bacteroides vulgatus Eggerth and Gagnon 1933 30:261 (AL) Bacteroides xylanolyticus Scholten-Koerselman et al. 1988 38:136 Bacteroides zoogleoformans -> Prevotella zoogleoformans BACTODERMA Tepper and Korshunova 1973 30:262 (AL) Bactoderma alba Tepper and Korshunova 1973 30:262 (AL) Bactoderma rosea (Winogradsky and Winogradsky 1933) Tepper and Korshunova 1973 30:262 (AL) BALNEARIUM Takai et al. 2003 53:1952* Balnearium lithotrophicum Takai et al. 2003 53:1953* BALNEATRIX Dauga et al. 1993 43:624 Balneatrix alpica Dauga et al. 1993 43:624 BALNEIMONAS Takeda et al. 2004 54:631 Balneimonas flocculans Takeda et al. 2004 (corrig.) 54:631 BALNEOLA Urios et al. 2006 56:1886* Balneola vulgaris Urios et al. 2006 56:1886* BARTONELLA Strong et al. 1915 emend. Brenner et al. 1993 emend. Birtles et al. 1995 30:262 (AL) Bartonella alsatica Heller et al. 1999 49:287* Bartonella bacilliformis (Strong et al. 1913) Strong et al. 1915 30:262 (AL) Bartonella birtlesii Bermond et al. 2000 50:1978* Bartonella bovis Bermond et al. 2002 52:388* Bartonella capreoli Bermond et al. 2002 52:388* Bartonella chomelii Maillard et al. 2004 54:219* Bartonella clarridgeiae Lawson and Collins 1996 46:836 Bartonella doshiae Birtles et al. 1995 45:7* Bartonella elizabethae (Daly et al. 1993) Brenner et al. 1993 43:785* Bartonella grahamii Birtles et al. 1995 45:7* Bartonella henselae (Regnery et al. 1992) Brenner et al. 1993 43:785* Bartonella koehlerae Droz et al. 2000 50:423 Bartonella peromysci (Ristic and Kreier 1984) Birtles et al. 1995 45:7* Bartonella quintana (Schmincke 1917) Brenner et al. 1993 43:784* Bartonella schoenbuchensis Dehio et al. 2001 (corrig.) 51:1563* Bartonella schoenbuchii see: Bartonella schoenbuchensis Bartonella talpae (Ristic and Kreier 1984) Birtles et al. 1995 45:7* Bartonella taylorii Birtles et al. 1995 45:7* Bartonella tribocorum Heller et al. 1998 48:1338* Bartonella vinsonii see: Bartonella vinsonii subsp. vinsonii Bartonella vinsonii subsp. arupensis Welch et al. 2000 50:3 Bartonella vinsonii subsp. berkhoffii Kordick et al. 1996 46:708* Bartonella vinsonii subsp. vinsonii (Weiss and Dasch 1982) Brenner et al. 1993 emend. Kordick et al. 1996 43:785* BDELLOVIBRIO Stolp and Starr 1963 30:262 (AL) Bdellovibrio bacteriovorus Stolp and Starr 1963 30:262 (AL) Bdellovibrio starrii -> Peredibacter starrii Bdellovibrio stolpii -> Bacteriovorax stolpii BEGGIATOA Trevisan 1842 30:262 (AL) Beggiatoa alba (Vaucher 1803) Trevisan 1845 30:262 (AL) BEIJERINCKIA Derx 1950 30:262 (AL) Beijerinckia derxii see: Beijerinckia derxii subsp. derxii Beijerinckia derxii subsp. derxii Tchan 1957 30:262 (AL) Beijerinckia derxii subsp. venezuelae Thompson and Skerman 1981 31:215 Beijerinckia fluminensis D”bereiner and Ruschel 1958 30:262 (AL) Beijerinckia indica see: Beijerinckia indica subsp. indica Beijerinckia indica subsp. indica (Starkey and De 1939) Derx 1950 31:215 Beijerinckia indica subsp. lacticogenes Thompson and Skerman 1981 31:215 Beijerinckia mobilis Derx 1950 30:263 (AL) BELLIELLA Brettar et al. 2004 54:69* Belliella baltica Brettar et al. 2004 54:69* BELNAPIA Reddy et al. 2006 56:56* Belnapia moabensis Reddy et al. 2006 56:57* BENECKEA -> VIBRIO Beneckea alginolytica = Vibrio alginolyticus Beneckea campbellii -> Vibrio campbellii Beneckea gazogenes -> Vibrio gazogenes Beneckea harveyi -> Vibrio harveyi Beneckea natriegens -> Vibrio natriegens Beneckea nereida see: Beneckea nereis Beneckea nereis (corrig.) -> Vibrio nereis Beneckea nigrapulchrituda see: Beneckea nigripulchritudo Beneckea nigripulchritudo (corrig.) -> Vibrio nigripulchritudo Beneckea parahaemolytica = Vibrio parahaemolyticus Beneckea pelagia -> Listonella pelagia Beneckea splendida -> Vibrio splendidus Beneckea vulnifica -> Vibrio vulnificus BERGERIELLA Xie and Yokota 2005 55:1395 Bergeriella denitrificans (Berger 1962) Xie and Yokota 2005 55:1395 BERGEYELLA Vandamme et al. 1994 44:830* Bergeyella zoohelcum (Holmes et al. 1987) Vandamme et al. 1994 44:830* BEUTENBERGIA Groth et al. 1999 49:1738* Beutenbergia cavernae Groth et al. 1999 49:1738* BIFIDOBACTERIUM Orla-Jensen 1924 30:264 (AL) Bifidobacterium adolescentis Reuter 1963 30:264 (AL) Bifidobacterium angulatum Scardovi and Crociani 1974 30:264 (AL) Bifidobacterium animalis see: Bifidobacterium animalis subsp. animalis Bifidobacterium animalis subsp. animalis (Mitsuoka 1969) Scardovi and Trovatelli 1974 30:264 (AL) Bifidobacterium animalis subsp. lactis (Meile et al. 1997) Masco et al. 2004 54:1142* Bifidobacterium asteroides Scardovi and Trovatelli 1969 30:264 (AL) Bifidobacterium bifidum (Tissier 1900) Orla-Jensen 1924 30:264 (AL) Bifidobacterium boum Scardovi et al. 1979 30:264 (AL) Bifidobacterium breve Reuter 1963 30:264 (AL) Bifidobacterium catenulatum Scardovi and Crociani 1974 30:264 (AL) Bifidobacterium choerinum Scardovi et al. 1979 30:264 (AL) Bifidobacterium coryneforme (ex Scardovi and Trovatelli 1969) Biavati et al. 1982 32:368* Bifidobacterium cuniculi Scardovi et al. 1979 30:264 (AL) Bifidobacterium denticolens -> Parascardovia denticolens Bifidobacterium dentium Scardovi and Crociani 1974 30:265 (AL) Bifidobacterium gallicum Lauer 1990 40:100* Bifidobacterium gallinarum Watabe et al. 1983 33:127* Bifidobacterium globosum -> Bifidobacterium pseudolongum subsp. globosum Bifidobacterium indicum Scardovi and Trovatelli 1969 30:265 (AL) Bifidobacterium infantis => Bifidobacterium longum Bifidobacterium inopinatum -> Scardovia inopinata Bifidobacterium lactis -> Bifidobacterium animalis subsp. lactis Bifidobacterium longum Reuter 1963 30:265 (AL) Bifidobacterium magnum Scardovi and Zani 1974 30:265 (AL) Bifidobacterium merycicum Biavati and Mattarelli 1991 41:167* Bifidobacterium minimum Biavati et al. 1982 32:368* Bifidobacterium pseudocatenulatum Scardovi et al. 1979 30:265 (AL) Bifidobacterium pseudolongum see: Bifidobacterium pseudolongum subsp. pseudolongum Bifidobacterium pseudolongum subsp. globosum (Biavati et al. 1982) Yaeshima et al. 1992 42:656 Bifidobacterium pseudolongum subsp. pseudolongum Mitsuoka 1969 42:656 Bifidobacterium psychraerophilum Simpson et al. 2004 54:405* Bifidobacterium pullorum Trovatelli et al. 1974 30:265 (AL) Bifidobacterium ruminantium Biavati and Mattarelli 1991 41:165* Bifidobacterium saeculare Biavati et al. 1992 42:191 Bifidobacterium scardovii Hoyles et al. 2002 52:998* Bifidobacterium subtile Biavati et al. 1982 32:368* Bifidobacterium suis => Bifidobacterium longum Bifidobacterium thermacidophilum see: Bifidobacterium thermacidophilum subsp. thermacidophilum Bifidobacterium thermacidophilum subsp. porcinum Zhu et al. 2003 53:1622* Bifidobacterium thermacidophilum subsp. thermacidophilum Dong et al. 2000 50:124*; 53:1622* Bifidobacterium thermophilium see: Bifidobacterium thermophilum Bifidobacterium thermophilum Mitsuoka 1969 30:265 (AL) BILOPHILA Baron et al. 1990 40:320 Bilophila wadsworthia Baron et al. 1990 40:320 BIZIONIA Nedashkovskaya et al. 2005 55:377* Bizionia algoritergicola Bowman and Nichols 2005 55:1483* Bizionia gelidisalsuginis Bowman and Nichols 2005 55:1483* Bizionia myxarmorum Bowman and Nichols 2005 55:1483* Bizionia paragorgiae Nedashkovskaya et al. 2005 55:377* Bizionia saleffrena Bowman and Nichols 2005 55:1482* BLASTOBACTER Zavarzin 1961 emend. Sly 1985 30:265 (AL) Blastobacter aggregatus Hirsch and Mller 1986 36:354 Blastobacter capsulatus Hirsch and Mller 1986 36:354 Blastobacter denitrificans Hirsch and Mller 1986 36:354 Blastobacter henricii Zavarzin 1961 30:265 (AL) Blastobacter natatorius -> Sphingomonas natatoria BLASTOCHLORIS Hiraishi 1997 47:218* Blastochloris sulfoviridis (Keppen and Gorlenko 1975) Hiraishi 1997 47:218* Blastochloris viridis (Drews and Giesbrecht 1966) Hiraishi 1997 47:218* BLASTOCOCCUS Ahrens and Moll 1970 (Approved Lists 1980) emend. Urzi et al. 2004 emend. Lee 2006 30:265 (AL) Blastococcus aggregatus Ahrens and Moll 1970 emend. Urzi et al. 2004 30:265 (AL) Blastococcus jejuensis Lee 2006 56:2395* Blastococcus saxobsidens Urzi et al. 2004 53:258* BLASTOMONAS Sly and Cahill 1997 emend. Hiraishi et al. 2000 47:567* Blastomonas natatoria = Sphingomonas natatoria Blastomonas ursincola -> Sphingomonas ursincola BLASTOPIRELLULA Schlesner et al. 2004 54:1578* Blastopirellula marina (Schlesner and Hirsch 1987) Schlesner et al. 2004 54:1578* BLATTABACTERIUM Hollande and Favre 1931 30:266 (AL) Blattabacterium cuenoti (Mercier 1906) Hollande and Favre 1931 30:266 (AL) BOGORIELLA Groth et al. 1997 47:793* Bogoriella caseilytica Groth et al. 1997 47:793* BORDETELLA Moreno-Lopez 1952 emend. von Wintzingerode et al. 2001 30:266 (AL) Bordetella avium Kersters et al. 1984 34:68* Bordetella bronchiseptica (Ferry 1912) Moreno-Lopez 1952 30:266 (AL) Bordetella hinzii Vandamme et al. 1995 45:43* Bordetella holmesii Weyant et al. 1995 45:619 Bordetella parapertussis (Eldering and Kendrick 1938) Moreno-Lopez 1952 30:266 (AL) Bordetella pertussis (Bergey et al. 1923) Moreno-Lopez 1952 30:266 (AL) Bordetella petrii von Wintzingerode et al. 2001 51:1263* Bordetella trematum Vandamme et al. 1996 46:857* BORRELIA Swellengrebel 1907 30:266 (AL) Borrelia afzelii Canica et al. 1994 44:182 Borrelia anserina (Sakharoff 1891) Bergey et al. 1925 30:266 (AL) Borrelia baltazardii (ex Karimi et al. 1979) Karimi et al. 1983 33:438 Borrelia brasiliensis Davis 1952 30:266 (AL) Borrelia burgdorferi Johnson et al. 1984 34:496* Borrelia caucasica (Kandelaki 1945) Davis 1957 30:266 (AL) Borrelia coriaceae Johnson et al. 1987 37:72* Borrelia crocidurae (Leger 1971) Davis 1957 30:266 (AL) Borrelia dugesii (Mazzotti 1949) Davis 1957 30:266 (AL) Borrelia duttonii (Novy and Knapp 1906) Bergey et al. 1925 30:267 (AL) Borrelia garinii Baranton et al. 1992 42:382* Borrelia graingeri (Heisch 1953) Davis 1957 30:267 (AL) Borrelia harveyi (Garnham 1947) Davis 1948 30:267 (AL) Borrelia hermsii (Davis 1942) Steinhaus 1946 30:267 (AL) Borrelia hispanica (de Buen 1926) Steinhaus 1946 30:267 (AL) Borrelia japonica Kawabata et al. 1994 44:595 Borrelia latyschewii (Sofiev 1941) Davis 1948 30:267 (AL) Borrelia lusitaniae Le Fleche et al. 1997 47:924* Borrelia mazzottii Davis 1956 30:267 (AL) Borrelia miyamotoi Fukunaga et al. 1995 45:809* Borrelia parkeri (Davis 1942) Steinhaus 1946 30:267 (AL) Borrelia persica (Dschunkowsky 1913) Steinhaus 1946 30:267 (AL) Borrelia recurrentis (Lebert 1874) Bergey et al. 1925 30:267 (AL) Borrelia sinica Masuzawa et al. 2001 51:1823* Borrelia spielmanii Richter et al. 2006 56:880* Borrelia tanukii Fukunaga et al. 1997 47:1274 Borrelia theileri (Laveran 1903) Bergey et al. 1925 30:267 (AL) Borrelia tillae Zumpt and Organ 1961 30:267 (AL) Borrelia turcica Gner et al. 2004 54:1652* Borrelia turdi Fukunaga et al. 1997 47:1274 Borrelia turicatae (Brumpt 1933) Steinhaus 1946 30:267 (AL) Borrelia valaisiana Wang et al. 1997 47:931* Borrelia venezuelensis (Brumpt 1921) Brumpt 1922 30:268 (AL) BOSEA Das et al. 1996 emend. La Scola et al. 2003 46:985* Bosea eneae La Scola et al. 2003 53:19* Bosea massiliensis La Scola et al. 2003 53:19* Bosea minatitlanensis Ouattara et al. 2003 53:1250* Bosea thiooxidans Das et al. 1996 46:985* Bosea vestrisii La Scola et al. 2003 53:20* BOWMANELLA Jean et al. 2006 56:2465* Bowmanella denitrificans Jean et al. 2006 56:2465* BRACHYBACTERIUM Collins et al. 1988 38:45* Brachybacterium alimentarium Schubert et al. 1996 46:86* Brachybacterium conglomeratum (ex Migula 1900) Takeuchi et al. 1995 45:166* Brachybacterium faecium Collins et al. 1988 38:45* Brachybacterium fresconis Heyrman et al. 2002 52:1644* Brachybacterium muris Buczolits et al. 2003 53:1959* Brachybacterium nesterenkovii Gvozdyak et al. 1992 42:77* Brachybacterium paraconglomeratum Takeuchi et al. 1995 45:167* Brachybacterium rhamnosum Takeuchi et al. 1995 45:167* Brachybacterium sacelli Heyrman et al. 2002 52:1644* Brachybacterium tyrofermentans Schubert et al. 1996 46:86* BRACHYMONAS Hiraishi et al. 1995 45:879 Brachymonas denitrificans Hiraishi et al. 1995 45:879 BRACHYSPIRA Hovind-Hougen et al. 1983 33:896 Brachyspira aalborgi Hovind-Hougen et al. 1983 emend. Ochiai et al. 1997 33:896 Brachyspira alvinipulli Stanton et al. 1998 48:675* Brachyspira hyodysenteriae (Harris et al. 1972) Ochiai et al. 1998 48:327 Brachyspira innocens (Kinyon and Harris 1979) Ochiai et al. 1998 48:327 Brachyspira intermedia (Stanton et al. 1997) Hampson and La 2006 56:1011* Brachyspira murdochii (Stanton et al. 1997) Hampson and La 2006 56:1011* Brachyspira pilosicoli (Trott et al. 1996) Ochiai et al. 1998 48:327 BRACKIELLA Willems et al. 2002 52:184* Brackiella oedipodis Willems et al. 2002 52:184* BRADYRHIZOBIUM Jordan 1982 32:137* Bradyrhizobium betae Rivas et al. 2004 54:1274* Bradyrhizobium canariense Vinuesa et al. 2005 55:573* Bradyrhizobium elkanii Kuykendall et al. 1993 43:398 Bradyrhizobium japonicum (Kirchner 1896) Jordan 1982 32:137* Bradyrhizobium liaoningense Xu et al. 1995 45:710* Bradyrhizobium yuanmingense Yao et al. 2002 52:2228* BRANHAMELLA -> MORAXELLA Branhamella catarrhalis -> Moraxella (Branhamella) catarrhalis BRENNERIA Hauben et al. 1999 49:1 Brenneria alni (Surico et al. 1996) Hauben et al. 1999 49:1 Brenneria nigrifluens (Wilson et al. 1957) Hauben et al. 1999 49:1 Brenneria paradisiaca -> Dickeya paradisiaca Brenneria quercina (Hildebrand and Schroth 1967) Hauben et al. 1999 49:1 Brenneria rubrifaciens (Wilson et al. 1967) Hauben et al. 1999 49:1 Brenneria salicis (Day 1924) Hauben et al. 1999 49:1 BREVIBACILLUS Shida et al. 1996 46:942* Brevibacillus agri (Nakamura 1993) Shida et al. 1996 46:943* Brevibacillus borstelensis (Shida et al. 1995) Shida et al. 1996 46:945* Brevibacillus brevis (Migula 1900) Shida et al. 1996 46:943* Brevibacillus centrosporus (Nakamura 1993) Shida et al. 1996 46:943* Brevibacillus choshinensis (Takagi et al. 1993) Shida et al. 1996 46:943* Brevibacillus formosus (Shida et al. 1995) Shida et al. 1996 46:943* Brevibacillus invocatus Logan et al. 2002 52:964* Brevibacillus laterosporus (Laubach 1916) Shida et al. 1996 46:945* Brevibacillus levickii Allan et al. 2005 55:1049* Brevibacillus limnophilus Goto et al. 2004 54:426* Brevibacillus parabrevis (Takagi et al. 1993) Shida et al. 1996 46:943* Brevibacillus reuszeri (Shida et al. 1995) Shida et al. 1996 46:943* Brevibacillus thermoruber (Manachini et al. 1985) Shida et al. 1996 46:945* BREVIBACTERIUM Breed 1953 30:268 (AL) Brevibacterium acetylicum -> Exiguobacterium acetylicum Brevibacterium albidum = Curtobacterium albidum Brevibacterium ammoniagenes -> Corynebacterium ammoniagenes Brevibacterium antiquum Gavrish et al. 2005 55:1 Brevibacterium aurantiacum Gavrish et al. 2005 55:1 Brevibacterium avium Pascual and Collins 1999 49:1529* Brevibacterium casei Collins et al. 1983 33:896 Brevibacterium celere Ivanova et al. 2004 54:2110* Brevibacterium citreum = Curtobacterium citreum Brevibacterium divaricatum => Corynebacterium glutamicum Brevibacterium epidermidis Collins et al. 1983 33:896 Brevibacterium fermentans => Cellulosimicrobium cellulans Brevibacterium frigoritolerans Delaporte and Sasson 1967 30:268 (AL) Brevibacterium halotolerans Delaporte and Sasson 1967 30:268 (AL) Brevibacterium imperiale -> Microbacterium imperiale Brevibacterium incertum -> Desemzia incerta Brevibacterium iodinum (ex Davis 1939) Collins et al. 1981 31:215 Brevibacterium linens (Wolff 1910) Breed 1953 30:269 (AL) Brevibacterium liquefaciens => Arthrobacter nicotianae Brevibacterium luteolum Wauters et al. 2003 corrig. list editor 2004 (corrig.) 53:1324* Brevibacterium lutescens see: Brevibacterium luteolum Brevibacterium luteum = Curtobacterium luteum Brevibacterium lyticum => Cellulosimicrobium cellulans Brevibacterium mcbrellneri McBride et al. 1994 44:852 Brevibacterium otitidis Pascual et al. 1996 46:1189 Brevibacterium oxydans -> Microbacterium oxydans Brevibacterium paucivorans Wauters et al. 2001 51:1706* Brevibacterium permense Gavrish et al. 2005 55:1 Brevibacterium picturae Heyrman et al. 2004 54:1540* Brevibacterium protophormiae -> Arthrobacter protophormiae Brevibacterium pusillum = Curtobacterium pusillum Brevibacterium samyangense Lee 2006 56:1891* Brevibacterium sanguinis Wauters et al. 2004 54:1425 Brevibacterium saperdae -> Microbacterium saperdae Brevibacterium stationis (ZoBell and Upham 1944) Breed 1953 30:269 (AL) Brevibacterium testaceum -> Microbacterium testaceum Brevibacterium vitaeruminis see: Brevibacterium vitarumen Brevibacterium vitarumen (corrig.) -> Corynebacterium vitaeruminis BREVINEMA Defosse et al. 1995 45:83* Brevinema andersonii Defosse et al. 1995 45:83* BREVUNDIMONAS Segers et al. 1994 emend. Abraham et al. 1999 44:507* Brevundimonas alba (ex Poindexter 1964) Abraham et al. 1999 49:1070* Brevundimonas aurantiaca (ex Poindexter 1964) Abraham et al. 1999 49:1071* Brevundimonas bacteroides (Poindexter 1964) Abraham et al. 1999 49:1071* Brevundimonas diminuta (Leifson and Hugh 1954) Segers et al. 1994 44:508* Brevundimonas intermedia (Poindexter 1964) Abraham et al. 1999 49:1071* Brevundimonas kwangchunensis Yoon et al. 2006 56:616* Brevundimonas mediterranea Fritz et al. 2005 55:485* Brevundimonas nasdae Li et al. 2004 54:824* Brevundimonas subvibrioides (Poindexter 1964) Abraham et al. 1999 49:1071* Brevundimonas variabilis (Poindexter 1989) Abraham et al. 1999 49:1071* Brevundimonas vesicularis (Busing et al. 1953) Segers et al. 1994 44:508* BROCHOTHRIX Sneath and Jones 1976 30:269 (AL) Brochothrix campestris Talon et al. 1988 38:99* Brochothrix thermosphacta (McLean and Sulzbacher 1953) Sneath and Jones 1976 30:270 (AL) BROOKLAWNIA Rainey et al. 2006 56:1981* Brooklawnia cerclae Rainey et al. 2006 56:1981* BRUCELLA (Meyer and Shaw 1920) Verger et al. 1985 30:270 (AL) Brucella abortus => Brucella melitensis Brucella canis => Brucella melitensis Brucella melitensis (Hughes 1893) Meyer and Shaw 1920 emend. Verger et al. 1985 30:270 (AL) Brucella neotomae => Brucella melitensis Brucella ovis => Brucella melitensis Brucella suis => Brucella melitensis BRUMIMICROBIUM Bowman et al. 2003 53:1352* Brumimicrobium glaciale Bowman et al. 2003 53:1352* BRYANTELLA Wolin et al. 2004 54:1 Bryantella formatexigens Wolin et al. 2004 54:1 BUCHNERA Munson et al. 1991 41:566* Buchnera aphidicola Munson et al. 1991 41:567* BUDVICIA Bouvet et al. 1985 35:60* Budvicia aquatica Bouvet et al. 1985 35:60* BULLEIDIA Downes et al. 2000 50:982* Bulleidia extructa Downes et al. 2000 50:981* BURKHOLDERIA Yabuuchi et al. 1993 emend. Gillis et al. 1995 43:398 Burkholderia ambifaria Coenye et al. 2001 51:1488* Burkholderia andropogonis (Smith 1911) Gillis et al. 1995 45:287* Burkholderia anthina Vandamme et al. 2002 52:1437 Burkholderia caledonica Coenye et al. 2001 51:1106* Burkholderia caribensis Achouak et al. 1999 49:792* Burkholderia caryophylli (Burkholder 1942) Yabuuchi et al. 1993 43:398 Burkholderia cenocepacia Vandamme et al. 2003 53:935 Burkholderia cepacia (Palleroni and Holmes 1981) Yabuuchi et al. 1993 43:398 Burkholderia cocovenenans => Burkholderia gladioli Burkholderia dolosa Vermis et al. 2004 54:691* Burkholderia ferrariae Valverde et al. 2006 56:2424* Burkholderia fungorum Coenye et al. 2001 51:1105* Burkholderia gladioli (Severini 1913) Yabuuchi et al. 1993 43:398 Burkholderia glathei (Zolg and Ottow 1975) Vandamme et al. 1997 47:1199* Burkholderia glumae (Kurita and Tabei 1967) Urakami et al. 1994 44:242* Burkholderia graminis Viallard et al. 1998 48:560* Burkholderia hospita Goris et al. 2003 53:1 Burkholderia kururiensis Zhang et al. 2000 50:747* Burkholderia mallei (Zopf 1885) Yabuuchi et al. 1993 43:398 Burkholderia mimosarum Chen et al. 2006 56:1851* Burkholderia multivorans Vandamme et al. 1997 47:1198* Burkholderia norimbergensis -> Pandoraea norimbergensis Burkholderia oklahomensis Glass et al. 2006 56:2175* Burkholderia phenazinium (Bell and Turner 1973) Viallard et al. 1998 48:561* Burkholderia phenoliruptrix Coenye et al. 2005 55:547 Burkholderia phymatum Vandamme et al. 2003 53:627 Burkholderia phytofirmans Sessitsch et al. 2005 55:1190* Burkholderia pickettii -> Ralstonia pickettii Burkholderia plantarii (Azegami et al. 1987) Urakami et al. 1994 44:242* Burkholderia pseudomallei (Whitmore 1913) Yabuuchi et al. 1993 43:625 Burkholderia pyrrocinia (Imanaka et al. 1965) Vandamme et al. 1997 emend. Storms et al. 2004 47:1199* Burkholderia sacchari Br„mer et al. 2001 51:1711* Burkholderia silvatlantica Perin et al. 2006 56:1935* Burkholderia solanacearum -> Ralstonia solanacearum Burkholderia sordidicola Lim et al. 2003 53:1635* Burkholderia stabilis Vandamme et al. 2000 50:1415 Burkholderia terrae Yang et al. 2006 56:447* Burkholderia terricola Goris et al. 2003 53:1 Burkholderia thailandensis Brett et al. 1998 48:318* Burkholderia tropica Reis et al. 2004 54:2161* Burkholderia tuberum Vandamme et al. 2003 53:627 Burkholderia ubonensis Yabuuchi et al. 2000 (corrig.) 50:1415 Burkholderia unamae Caballero-Mellado et al. 2004 54:1171* Burkholderia vandii => Burkholderia plantarii Burkholderia vietnamiensis Gillis et al. 1995 45:287* Burkholderia xenovorans Goris et al. 2004 54:1680* BUTTIAUXELLA Ferragut et al. 1982 32:266 Buttiauxella agrestis Ferragut et al. 1982 emend. Mller et al. 1996 32:266 Buttiauxella brennerae Mller et al. 1996 46:62* Buttiauxella ferragutiae Mller et al. 1996 46:60* Buttiauxella gaviniae Mller et al. 1996 46:62* Buttiauxella izardii Mller et al. 1996 46:62* Buttiauxella noackiae Mller et al. 1996 46:62* Buttiauxella warmboldiae Mller et al. 1996 46:62* BUTYRIVIBRIO Bryant and Small 1956 30:270 (AL) Butyrivibrio crossotus Moore et al. 1976 30:270 (AL) Butyrivibrio fibrisolvens Bryant and Small 1956 30:270 (AL) Butyrivibrio hungatei Kopecny et al. 2003 53:208* Byssophaga cruenta -> Byssovorax cruenta BYSSOVORAX Reichenbach et al. 2006 56:2362* Byssovorax cruenta (ex Thaxter 1897) Reichenbach et al. 2006 56:2363* CAEDIBACTER (ex Preer et al. 1974) Preer and Preer 1982 32:140* Caedibacter caryophilus Schmidt et al. 1987 (corrig.) 37:461* Caedibacter paraconjugatus Quackenbush 1982 32:266 Caedibacter pseudomutans Quackenbush 1982 32:266 Caedibacter taeniospiralis (ex Preer et al. 1974) Preer and Preer 1982 32:140* Caedibacter varicaedens Quackenbush 1982 32:266 CAENIBACTERIUM => SCHLEGELELLA Caenibacterium thermophilum => Schlegelella thermodepolymerans CALDALKALIBACILLUS Xue et al. 2006 56:1220* Caldalkalibacillus thermarum Xue et al. 2006 56:1220* CALDANAEROBACTER Fardeau et al. 2004 54:471* Caldanaerobacter subterraneus see: Caldanaerobacter subterraneus subsp. subterraneus Caldanaerobacter subterraneus subsp. pacificus (Sokolova et al. 2001) Fardeau et al. 2004 54:472* Caldanaerobacter subterraneus subsp. subterraneus (Fardeau et al. 2000) Fardeau et al. 2004 54:472* Caldanaerobacter subterraneus subsp. tengcongensis (Xue et al. 2001) Fardeau et al. 2004 54:472* Caldanaerobacter subterraneus subsp. yonseiensis (Kim et al. 2001) Fardeau et al. 2004 54:472* CALDEROBACTERIUM => HYDROGENOBACTER Calderobacterium hydrogenophilum -> Hydrogenobacter hydrogenophilus CALDICELLULOSIRUPTOR Rainey et al. 1995 emend. Onyenwoke et al. 2006 45:197 Caldicellulosiruptor acetigenus (Nielsen et al. 1994) Onyenwoke et al. 2006 56:1394* Caldicellulosiruptor kristjanssonii Bredholt et al. 1999 49:995* Caldicellulosiruptor lactoaceticus Mladenovska et al. 1997 47:1274 Caldicellulosiruptor owensensis Huang et al. 1998 48:95* Caldicellulosiruptor saccharolyticus Rainey et al. 1995 45:197 CALDILINEA Sekiguchi et al. 2003 53:1850* Caldilinea aerophila Sekiguchi et al. 2003 53:1850* CALDIMONAS Takeda et al. 2002 52:899* Caldimonas manganoxidans Takeda et al. 2002 52:899* Caldimonas taiwanensis Chen et al. 2005 55:1743 CALDISPHAERA Itoh et al. 2003 53:1153* Caldisphaera lagunensis Itoh et al. 2003 53:1153* CALDITHRIX Miroshnichenko et al. 2003 53:327* Caldithrix abyssi Miroshnichenko et al. 2003 53:327* CALDIVIRGA Itoh et al. 1999 49:1162* Caldivirga maquilingensis Itoh et al. 1999 49:1162* CALORAMATOR Collins et al. 1994 44:822* Caloramator coolhaasii Plugge et al. 2000 50:1161* Caloramator fervidus (Patel et al. 1987) Collins et al. 1994 44:822* Caloramator indicus Chrisostomos et al. 1996 46:500* Caloramator proteoclasticus Tarlera et al. 1997 47:655* Caloramator viterbiensis Seyfried et al. 2002 52:1183* CALORANAEROBACTER Wery et al. 2001 51:1795* Caloranaerobacter azorensis Wery et al. 2001 51:1795* CALYMMATOBACTERIUM => KLEBSIELLA Calymmatobacterium granulomatis -> Klebsiella granulomatis CAMINIBACTER Alain et al. 2002 52:1322* Caminibacter hydrogeniphilus Alain et al. 2002 52:1322* Caminibacter mediatlanticus Voordeckers et al. 2005 55:778* Caminibacter profundus Miroshnichenko et al. 2004 54:45* CAMINICELLA Alain et al. 2002 52:1627* Caminicella sporogenes Alain et al. 2002 52:1627* CAMPYLOBACTER Sebald and Veron 1963 emend. Vandamme et al. 1991 30:270 (AL) Campylobacter butzleri -> Arcobacter butzleri Campylobacter cinaedi -> Helicobacter cinaedi Campylobacter coli (Doyle 1948) Veron and Chatelain 1973 30:271 (AL) Campylobacter concisus Tanner et al. 1981 31:442* Campylobacter cryaerophilus (corrig.) -> Arcobacter cryaerophilus Campylobacter curvus (Tanner et al. 1984) Vandamme et al. 1991 41:98* Campylobacter fennelliae -> Helicobacter fennelliae Campylobacter fetus see: Campylobacter fetus subsp. fetus Campylobacter fetus subsp. fetus (Smith and Taylor 1919) Sebald and Veron 1963 30:271 (AL) Campylobacter fetus subsp. venerealis (Florent 1959) Veron and Chatelain 1973 30:271 (AL) Campylobacter gracilis (Tanner et al. 1981) Vandamme et al. 1995 45:151* Campylobacter helveticus Stanley et al. 1993 43:398 Campylobacter hominis Lawson et al. 2001 51:658* Campylobacter hyoilei => Campylobacter coli Campylobacter hyointestinalis see: Campylobacter hyointestinalis subsp. hyointestinalis Campylobacter hyointestinalis subsp. hyointestinalis Gebhardt et al. 1985 emend. On et al. 1995 35:535 Campylobacter hyointestinalis subsp. lawsonii On et al. 1995 45:773* Campylobacter insulaenigrae Foster et al. 2004 54:2372* Campylobacter jejuni see: Campylobacter jejuni subsp. jejuni Campylobacter jejuni subsp. doylei Steele and Owen 1988 38:316* Campylobacter jejuni subsp. jejuni (Jones et al. 1931) Veron and Chatelain 1973 380:316 Campylobacter lanienae Logan et al. 2000 50:870* Campylobacter lari Benjamin et al. 1984 34:270 Campylobacter laridis see: Campylobacter lari Campylobacter mucosalis (Lawson et al. 1981) Roop et al. 1985 35:189* Campylobacter mustelae -> Helicobacter mustelae Campylobacter nitrofigilis -> Arcobacter nitrofigilis Campylobacter pylori (corrig.) -> Helicobacter pylori Campylobacter pylori subsp. mustelae -> Helicobacter mustelae Campylobacter pylori subsp. pylori -> Helicobacter pylori Campylobacter rectus (Tanner et al. 1981) Vandamme et al. 1991 41:98* Campylobacter showae Etoh et al. 1993 43:638* Campylobacter sputorum see: Campylobacter sputorum subsp. sputorum Campylobacter sputorum subsp. bubulus (Florent 1953) Veron and Chatelain 1973 30:271 (AL) Campylobacter sputorum subsp. mucosalis -> Campylobacter mucosalis Campylobacter sputorum subsp. sputorum (Pr‚vot 1940) V‚ron and Chatelain 1973 emend. On et al. 1998 30:271 (AL) Campylobacter upsaliensis Sandstedt and Ursing 1991 41:331 CAPNOCYTOPHAGA Leadbetter et al. 1982 32:266 Capnocytophaga canimorsus Brenner et al. 1990 40:105 Capnocytophaga cynodegmi Brenner et al. 1990 40:105 Capnocytophaga gingivalis Leadbetter et al. 1982 32:266 Capnocytophaga granulosa Yamamoto et al. 1994 44:327* Capnocytophaga haemolytica Yamamoto et al. 1994 44:327* Capnocytophaga ochracea (Prevot et al. 1956) Leadbetter et al. 1982 32:266 Capnocytophaga sputigena Leadbetter et al. 1982 32:266 CAPSULARIS -> BACTEROIDES Capsularis zoogleiformans see: Capsularis zoogleoformans Capsularis zoogleoformans (corrig.) -> Prevotella zoogleoformans CARBOPHILUS Meyer et al. 1994 44:182 Carbophilus carboxidus (ex Nozhevnikova and Zavarzin 1974) Meyer et al. 1994 44:182 CARBOXYDIBRACHIUM (corrig.) => CALDANAEROBACTER Carboxydibrachium pacificum -> Caldanaerobacter subterraneus subsp. pacificus CARBOXYDOBRACHIUM see: CARBOXYDIBRACHIUM Carboxydobrachium pacificum see: Caldanaerobacter subterraneus subsp. pacificus CARBOXYDOCELLA Sokolova et al. 2002 52:1965* Carboxydocella sporoproducens Slepova et al. 2006 56:800* Carboxydocella thermautotrophica Sokolova et al. 2002 52:1965* CARBOXYDOTHERMUS Svetlichny et al. 1991 emend. Slobodkin et al. 2006 41:580 Carboxydothermus ferrireducens (Slobodkin et al. 1997) Slobodkin et al. 2006 56:2350* Carboxydothermus hydrogenoformans Svetlichny et al. 1991 41:580 CARDIOBACTERIUM Slotnick and Dougherty 1964 30:271 (AL) Cardiobacterium hominis Slotnick and Dougherty 1964 30:272 (AL) Cardiobacterium valvarum Han et al. 2004 emend. Han and Falsen 2005 54:1425 CARNIMONAS Garriga et al. 1998 48:684* Carnimonas nigrificans Garriga et al. 1998 48:685* CARNOBACTERIUM Collins et al. 1987 37:310* Carnobacterium alterfunditum Franzmann et al. 1993 43:188 Carnobacterium divergens (Holzapfel and Gerber 1984) Collins et al. 1987 37:310* Carnobacterium funditum Franzmann et al. 1993 43:188 Carnobacterium gallinarum Collins et al. 1987 37:310* Carnobacterium inhibens J”born et al. 1999 49:1897* Carnobacterium maltaromaticum (Miller et al. 1974) Mora et al. 2003 53:677* Carnobacterium mobile Collins et al. 1987 37:310* Carnobacterium piscicola => Carnobacterium maltaromaticum Carnobacterium pleistocenium Pikuta et al. 2005 55:477* Carnobacterium viridans Holley et al. 2002 52:1884* CARYOPHANON Peshkoff 1939 30:272 (AL) Caryophanon latum Peshkoff 1939 30:272 (AL) Caryophanon tenue (ex Peshkoff 1939) Trentini 1988 38:220 CASEOBACTER -> CORYNEBACTERIUM Caseobacter polymorphus => Corynebacterium variabile CASTELLANIELLA K„mpfer et al. 2006 56:818* Castellaniella defragrans (Foss et al. 1998) K„mpfer et al. 2006 56:818* Castellaniella denitrificans K„mpfer et al. 2006 56:819* CATELLATOSPORA Asano and Kawamoto 1986 emended Lee and Hah 2002 36:512* Catellatospora bangladeshensis Ara and Kudo 2006 56:399* Catellatospora chokoriensis Ara and Kudo 2006 56:398* Catellatospora citrea Asano and Kawamoto 1986 36:516* Catellatospora citrea subsp. citrea Asano and Kawamoto 1986 36:516* Catellatospora citrea subsp. methionotrophica -> Catellatospora methionotrophica Catellatospora coxensis Ara and Kudo 2006 56:399* Catellatospora ferruginea -> Asanoa ferruginea Catellatospora koreensis Lee et al. 2000 50:1110* Catellatospora matsumotoense -> Micromonospora matsumotoense Catellatospora methionotrophica (Asano and Kawamoto 1988) Ara and Kudo 2006 56:399* Catellatospora tsunoense Asano et al. 1989 39:313* CATELLIBACTERIUM Tanaka et al. 2004 54:958* Catellibacterium nectariphilum Tanaka et al. 2004 54:958* CATELLICOCCUS Lawson et al. 2006 56:431* Catellicoccus marimammalium Lawson et al. 2006 56:431* CATENIBACTERIUM Kageyama and Benno 2000 50:1598* Catenibacterium mitsuokai Kageyama and Benno 2000 50:1598* CATENOCOCCUS Sorokin 1994 44:852 Catenococcus thiocycli Sorokin 1994 (corrig.) 44:852 CATENULISPORA Busti et al. 2006 56:1745* Catenulispora acidiphila Busti et al. 2006 56:1745* CATENULOPLANES Yokota et al. 1993 emend. Kudo et al. 1999 43:809* Catenuloplanes atrovinosus Tamura et al. 1995 45:860* Catenuloplanes castaneus Tamura et al. 1995 45:860* Catenuloplanes crispus (Petrolini et al. 1993) Kudo et al. 1999 49:1858* Catenuloplanes indicus Tamura et al. 1995 45:860* Catenuloplanes japonicus Yokota et al. 1993 43:810* Catenuloplanes nepalensis Tamura et al. 1995 45:860* Catenuloplanes niger Tamura et al. 1995 45:860* CATONELLA Moore and Moore 1994 44:189* Catonella morbi Moore and Moore 1994 44:189* CAULOBACTER Henrici and Johnson 1935 emend. Abraham et al. 1999 30:272 (AL) Caulobacter bacteroides -> Brevundimonas bacteroides Caulobacter crescentus => Caulobacter vibrioides Caulobacter fusiformis Poindexter 1964 30:272 (AL) Caulobacter halobacteroides => Maricaulis maris Caulobacter henricii Poindexter 1964 30:272 (AL) Caulobacter henricii subsp. aurantiacus -> Brevundimonas aurantiaca Caulobacter intermedius -> Brevundimonas intermedia Caulobacter leidyi Poindexter 1964 30:272 (AL) Caulobacter leidyia see: Caulobacter leidyi Caulobacter maris -> Maricaulis maris Caulobacter segnis (Urakami et al. 1990) Abraham et al. 1999 49:1070* Caulobacter subvibrioides -> Brevundimonas subvibrioides Caulobacter subvibrioides subsp. albus -> Brevundimonas alba Caulobacter variabilis -> Brevundimonas variabilis Caulobacter vibrioides Henrici and Johnson 1935 30:272 (AL) CEDECEA Grimont et al. 1981 31:324* Cedecea davisae Grimont et al. 1981 31:324* Cedecea lapagei Grimont et al. 1981 31:324* Cedecea neteri Farmer et al. 1983 33:438 CELLULOMONAS Bergey et al. 1923 30:272 (AL) Cellulomonas biazotea (Kellerman et al. 1913) Bergey et al. 1923 30:272 (AL) Cellulomonas bogoriensis Jones et al. 2005 55:1713* Cellulomonas cartae => Cellulosimicrobium cellulans Cellulomonas cellasea (Kellerman et al. 1913) Bergey et al. 1923 30:273 (AL) Cellulomonas cellulans -> Cellulosimicrobium cellulans Cellulomonas denverensis Brown et al. 2005 55:1395 Cellulomonas fermentans Bagnara et al. 1985 35:502* Cellulomonas fimi (McBeth and Scales 1913) Bergey et al. 1923 30:273 (AL) Cellulomonas flavigena (Kellerman and McBeth 1912) Bergey et al. 1923 30:273 (AL) Cellulomonas gelida (Kellerman et al. 1913) Bergey et al. 1923 30:273 (AL) Cellulomonas hominis Funke et al. 1996 46:362 Cellulomonas humilata (Gledhill and Casida 1969) Collins and Pascual 2000 (corrig.) 50:662* Cellulomonas iranensis Elberson et al. 2000 50:996* Cellulomonas persica Elberson et al. 2000 50:995* Cellulomonas terrae An et al. 2005 55:1708* Cellulomonas turbata -> Oerskovia turbata Cellulomonas uda (Kellerman et al. 1913) Bergey et al. 1923 30:273 (AL) Cellulomonas xylanilytica Rivas et al. 2004 54:535* CELLULOPHAGA Johansen et al. 1999 49:1238* Cellulophaga algicola Bowman 2000 50:1866* Cellulophaga baltica Johansen et al. 1999 49:1238* Cellulophaga fucicola Johansen et al. 1999 49:1238* Cellulophaga lytica (Lewin 1969) Johansen et al. 1999 49:1239* Cellulophaga pacifica Nedashkovskaya et al. 2004 54:612* Cellulophaga uliginosa -> Zobellia uliginosa CELLULOSIMICROBIUM Schumann et al. 2001 emend. Brown et al. 2006 51:1009* Cellulosimicrobium cellulans (Metcalf and Brown 1957) Schumann et al. 2001 51:1009* Cellulosimicrobium funkei Brown et al. 2006 56:804* Cellulosimicrobium variabile -> Isoptericola variabilis CELLVIBRIO (ex Winogradsky 1929) Blackall et al. 1986 emend. Humphry et al. 2003 36:354 Cellvibrio fibrivorans Mergaert et al. 2003 53:471* Cellvibrio fulvus (ex Stapp and Bortels 1934) Humphry et al. 2003 53:399* Cellvibrio gandavensis Mergaert et al. 2003 53:471* Cellvibrio japonicus Humphry et al. 2003 53:398* Cellvibrio mixtus Blackall et al. 1986 36:354 Cellvibrio mixtus subsp. dextranolyticus Blackall et al. 1986 36:354 Cellvibrio mixtus subsp. mixtus Blackall et al. 1986 36:354 Cellvibrio ostraviensis Mergaert et al. 2003 53:470* Cellvibrio vulgaris (ex Stapp and Bortels 1934) Humphry et al. 2003 53:399* CENTIPEDA Lai et al. 1983 33:631* Centipeda periodontii Lai et al. 1983 33:631* CERASIBACILLUS Nakamura et al. 2004 54:1067* Cerasibacillus quisquiliarum Nakamura et al. 2004 54:1068* CETOBACTERIUM Foster et al. 1996 emend. Finegold et al. 2003 46:362 Cetobacterium ceti Foster et al. 1996 46:362 Cetobacterium somerae Finegold et al. 2003 53:1219 CHAINIA -> STREPTOMYCES Chainia antibiotica = Streptomyces sclerotialus Chainia flava = Streptomyces flaviscleroticus Chainia fumigata = Streptomyces fumigatiscleroticus Chainia kunmingensis -> Streptomyces kunmingensis Chainia minutisclerotica = Streptomyces minutiscleroticus Chainia nigra -> Streptomyces niger Chainia ochracea = Streptomyces ochraceiscleroticus Chainia olivacea = Streptomyces olivaceiscleroticus Chainia poonensis = Streptomyces poonensis Chainia purpurogena = Streptomyces purpurogeneiscleroticus Chainia rosea = Streptomyces roseiscleroticus Chainia rubra -> Streptomyces ruber Chainia violens -> Streptomyces violens CHELATOBACTER => AMINOBACTER Chelatobacter heintzii => Aminobacter aminovorans CHELATOCOCCUS Auling et al. 1993 43:624 Chelatococcus asaccharovorans Auling et al. 1993 43:624 CHIMAEREICELLA Tiago et al. 2006 56:925 Chimaereicella alkaliphila Tiago et al. 2006 56:925 CHITINIBACTER Chern et al. 2004 54:1390* Chitinibacter tainanensis Chern et al. 2004 54:1390* CHITINIMONAS Chang et al. 2004 emend. Kim et al. 2006 54:1005 Chitinimonas koreensis Kim et al. 2006 56:1762* Chitinimonas taiwanensis Chang et al. 2004 54:1005 CHITINOPHAGA Sangkhobol and Skerman 1981 emend. K„mpfer et al. 2006 31:288* Chitinophaga arvensicola (Oyaizu et al. 1983) K„mpfer et al. 2006 56:2226* Chitinophaga filiformis (Reichenbach 1989) K„mpfer et al. 2006 56:2225* Chitinophaga japonensis (Fujita et al. 1997) K„mpfer et al. 2006 56:2225* Chitinophaga pinensis Sangkhobol and Skerman 1981 31:288* Chitinophaga sancti (Lewin 1969) K„mpfer et al. 2006 56:2225* Chitinophaga skermanii K„mpfer et al. 2006 56:2226* CHLAMYDIA Jones et al. 1945 emend. Everett et al. 1999 30:274 (AL) Chlamydia muridarum Everett et al. 1999 49:431* Chlamydia pecorum -> Chlamydophila pecorum Chlamydia pneumoniae -> Chlamydophila pneumoniae Chlamydia psittaci -> Chlamydophila psittaci Chlamydia suis Everett et al. 1999 49:431* Chlamydia trachomatis (Busacca 1935) Rake 1957 emend. Everett et al. 1999 30:274 (AL) CHLAMYDOPHILA Everett et al. 1999 49:432* Chlamydophila abortus Everett et al. 1999 49:434* Chlamydophila caviae Everett et al. 1999 49:434* Chlamydophila felis Everett et al. 1999 49:434* Chlamydophila pecorum (Fukushi and Hirai 1992) Everett et al. 1999 49:432* Chlamydophila pneumoniae (Grayston et al. 1989) Everett et al. 1999 49:432* Chlamydophila psittaci (Lillie 1930) Everett et al. 1999 49:433* CHLOROBACULUM Imhoff 2003 53:950* "Chlorobaculum chlorovibrioides" (Gorlenko et al. 1974) Imhoff 2003 (not validly published) 53:951* Chlorobaculum limnaeum Imhoff 2003 53:950* Chlorobaculum parvum Imhoff 2003 53:950* Chlorobaculum tepidum (Wahlund et al. 1996) Imhoff 2003 53:950* Chlorobaculum thiosulfatiphilum Imhoff 2003 53:950* CHLOROBIUM Nadson 1906 emend. Imhoff 2003 30:275 (AL) Chlorobium chlorovibrioides Gorlenko et al. 1974 30:275 (AL) Chlorobium clathratiforme (Szafer 1911) Imhoff 2003 53:948* Chlorobium limicola Nadson 1906 emend. Imhoff 2003 30:275 (AL) Chlorobium luteolum (Schmidle 1901) Imhoff 2003 53:948* Chlorobium phaeobacteroides Pfennig 1968 emend. Imhoff 2003 30:275 (AL) Chlorobium phaeovibrioides Pfennig 1968 emend. Imhoff 2003 30:275 (AL) Chlorobium tepidum -> Chlorobaculum tepidum Chlorobium vibrioforme -> Prosthecochloris vibrioformis CHLOROFLEXUS Pierson and Castenholz 1974 30:275 (AL) Chloroflexus aggregans Hanada et al. 1995 45:680* Chloroflexus aurantiacus Pierson and Castenholz 1974 30:275 (AL) CHLOROHERPETON Gibson et al. 1985 35:223 Chloroherpeton thalassium Gibson et al. 1985 35:223 CHLORONEMA Dubinina and Gorlenko 1975 30:275 (AL) Chloronema giganteum Dubinina and Gorlenko 1975 30:275 (AL) CHONDROMYCES Berkeley and Curtis 1874 30:275 (AL) Chondromyces apiculatus Thaxter 1897 30:275 (AL) Chondromyces catenulatus Thaxter 1904 30:275 (AL) Chondromyces crocatus Berkeley and Curtis 1874 30:275 (AL) Chondromyces lanuginosus Kofler 1913 30:275 (AL) Chondromyces pediculatus Thaxter 1904 30:275 (AL) CHROMATIUM Perty 1852 emend. Imhoff et al. 1998 30:275 (AL) Chromatium buderi -> Isochromatium buderi Chromatium glycolicum -> Halochromatium glycolicum Chromatium gracile -> Marichromatium gracile Chromatium minus -> Thiocystis minor Chromatium minutissimum -> Allochromatium minutissimum Chromatium okenii (Ehrenberg 1838) Perty 1852 30:276 (AL) Chromatium purpuratum -> Marichromatium purpuratum Chromatium salexigens -> Halochromatium salexigens Chromatium tepidum -> Thermochromatium tepidum Chromatium vinosum -> Allochromatium vinosum Chromatium violascens -> Thiocystis violascens Chromatium warmingii -> Allochromatium warmingii Chromatium weissei Perty 1852 30:276 (AL) CHROMOBACTERIUM Bergonzini 1880 30:276 (AL) Chromobacterium fluviatile -> Iodobacter fluviatilis Chromobacterium violaceum Bergonzini 1880 30:276 (AL) CHROMOHALOBACTER Ventosa et al. 1989 emend. Arahal et al. 2001 39:384* Chromohalobacter beijerinckii (Hof 1935) Pe‡onek et al. 2006 56:1956* Chromohalobacter canadensis (Huval et al. 1996) Arahal et al. 2001 51:1447* Chromohalobacter israelensis (Huval et al. 1996) Arahal et al. 2001 51:1447* Chromohalobacter marismortui (ex Elazari-Volcani 1940) Ventosa et al. 1989 39:384* Chromohalobacter nigrandesensis Prado et al. 2006 56:650* Chromohalobacter salexigens Arahal et al. 2001 51:1460* Chromohalobacter sarecensis Quillaguam n et al. 2004 54:1925* CHRYSEOBACTERIUM Vandamme et al. 1994 44:829* Chryseobacterium balustinum (Harrison 1929) Vandamme et al. 1994 44:830* Chryseobacterium daecheongense Kim et al. 2005 55:137* Chryseobacterium defluvii K„mpfer et al. 2003 53:96* Chryseobacterium formosense Young et al. 2005 55:426* Chryseobacterium gleum (Holmes et al. 1984) Vandamme et al. 1994 44:830* Chryseobacterium hispanicum Gallego et al. 2006 56:1591* Chryseobacterium indologenes (Yabuuchi et al. 1983) Vandamme et al. 1994 44:830* Chryseobacterium indoltheticum (Campbell and Williams 1951) Vandamme et al. 1994 44:830* Chryseobacterium joostei Hugo et al. 2003 53:776* Chryseobacterium meningosepticum -> Elizabethkingia meningoseptica Chryseobacterium miricola -> Elizabethkingia miricola Chryseobacterium piscium de Beer et al. 2006 56:1321* Chryseobacterium scophthalmum (Mudarris et al. 1994) Vandamme et al. 1994 44:830* Chryseobacterium shigense Shimomura et al. 2005 55:1905* Chryseobacterium soldanellicola Park et al. 2006 56:436* Chryseobacterium taeanense Park et al. 2006 56:437* Chryseobacterium taichungense Shen et al. 2005 55:1304* Chryseobacterium taiwanense Tai et al. 2006 56:1774* Chryseobacterium vrystaatense de Beer et al. 2005 55:2152* Chryseobacterium wanjuense Weon et al. 2006 56:1502* CHRYSEOMONAS => PSEUDOMONAS Chryseomonas luteola (Kodama et al. 1985) Holmes et al. 1987 37:246* Chryseomonas polytricha => Pseudomonas luteola CHRYSIOGENES Macy et al. 1996 46:1156* Chrysiogenes arsenatis Macy et al. 1996 46:1156* CITREICELLA Sorokin et al. 2006 56:1 Citreicella thiooxidans Sorokin et al. 2006 56:1 CITRICOCCUS Altenburger et al. 2002 52:2098* Citricoccus alkalitolerans Li et al. 2005 55:89* Citricoccus muralis Altenburger et al. 2002 52:2099* CITROBACTER Werkman and Gillen 1932 30:276 (AL) Citrobacter amalonaticus (Young et al. 1971) Brenner and Farmer 1982 32:266 Citrobacter braakii Brenner et al. 1993 43:657* Citrobacter diversus (rejected name) => Citrobacter koseri Citrobacter farmeri Brenner et al. 1993 43:654* Citrobacter freundii (Braak 1928) Werkman and Gillen 1932 30:276 (AL) Citrobacter gillenii Brenner et al. 2000 50:423 Citrobacter koseri Frederiksen 1970 30:276 (AL) Citrobacter murliniae Brenner et al. 2000 50:423 Citrobacter rodentium Schauer et al. 1996 46:362 Citrobacter sedlakii Brenner et al. 1993 43:657* Citrobacter werkmanii Brenner et al. 1993 43:657* Citrobacter youngae Brenner et al. 1993 43:654* CLAVIBACTER Davis et al. 1984 34:113* Clavibacter iranicum see: Clavibacter iranicus Clavibacter iranicus (corrig.) -> Rathayibacter iranicus Clavibacter michiganense see: Clavibacter michiganensis Clavibacter michiganense subsp. insidiosum see: Clavibacter michiganensis subsp. insidiosus Clavibacter michiganense subsp. michiganense see: Clavibacter michiganensis subsp. michiganensis Clavibacter michiganense subsp. nebraskense see: Clavibacter michiganensis subsp. nebraskensis Clavibacter michiganense subsp. sepedonicum see: Clavibacter michiganensis subsp. sepedonicus Clavibacter michiganense subsp. tessellarius see: Clavibacter michiganensis subsp. tessellarius Clavibacter michiganensis (Smith 1910) Davis et al. 1984 (corrig.) 34:113* Clavibacter michiganensis subsp. insidiosus (McCulloch 1925) Davis et al. 1984 (corrig.) 34:113* Clavibacter michiganensis subsp. michiganensis (Smith 1910) Davis et al. 1984 (corrig.) 34:113* Clavibacter michiganensis subsp. nebraskensis (Vidaver and Mandel 1974) Davis et al. 1984 (corrig.) 34:113* Clavibacter michiganensis subsp. sepedonicus (Spieckermann and Kotthoff 1914) Davis et al. 1984 (corrig.) 34:113* Clavibacter michiganensis subsp. tessellarius (Carlson and Vidaver 1982) Davis et al. 1984 (corrig.) 34:113* Clavibacter rathayi -> Rathayibacter rathayi Clavibacter toxicus -> Rathayibacter toxicus Clavibacter tritici -> Rathayibacter tritici Clavibacter xyli -> Leifsonia xyli Clavibacter xyli subsp. cynodontis -> Leifsonia xyli subsp. cynodontis Clavibacter xyli subsp. xyli -> Leifsonia xyli subsp. xyli CLEVELANDINA Bermudes et al. 1988 38:299* Clevelandina reticulitermitidis Bermudes et al. 1988 38:299* CLOACIBACTERIUM Allen et al. 2006 56:1314* Cloacibacterium normanense Allen et al. 2006 56:1314* CLOSTRIDIUM Prazmowski 1880 30:277 (AL) Clostridium absonum => Clostridium sardiniense Clostridium aceticum (ex Wieringa 1940) Gottschalk and Braun 1981 31:476* Clostridium acetireducens ™rlygsson et al. 1996 46:458* Clostridium acetobutylicum McCoy et al. 1926 emend. Keis et al. 2001 30:277 (AL) Clostridium acidisoli Kuhner et al. 2000 50:880* Clostridium acidiurici see: Clostridium acidurici Clostridium acidurici (Liebert 1909) Barker 1938 (corrig.) 30:277 (AL) Clostridium aerotolerans van Gylswyk and van der Toorn 1987 emend. Chamkha et al. 2001 37:102* Clostridium akagii Kuhner et al. 2000 50:879* Clostridium aldrichii Yang et al. 1990 40:270* Clostridium algidicarnis Lawson et al. 1995 45:197 Clostridium algidixylanolyticum Broda et al. 2000 50:629* Clostridium alkalicellulosi Zhilina et al. 2006 (corrig.) 56:925 Clostridium aminophilum Paster et al. 1993 43:109* Clostridium aminovalericum Hardman and Stadtman 1960 30:277 (AL) Clostridium amygdalinum Parshina et al. 2003 53:1797* Clostridium arcticum (ex Jordan and McNicol 1979) Cato et al. 1988 38:220 Clostridium argentinense Suen et al. 1988 38:375* Clostridium aurantibutyricum Hellinger 1944 30:277 (AL) Clostridium barati see: Clostridium baratii Clostridium baratii (Prevot 1938) Holdeman and Moore 1970 (corrig.) 30:277 (AL) Clostridium barkeri -> Eubacterium barkeri Clostridium bartlettii Song et al. 2004 54:1425 Clostridium beijerinckii Donker 1926 emend. Keis et al. 2001 30:277 (AL) Clostridium bifermentans (Weinberg and Seguin 1918) Bergey et al. 1923 emend. Chamkha et al. 2001 30:277 (AL) Clostridium bolteae Song et al. 2003 53:935 Clostridium botulinum (van Ermengem 1896) Bergey et al. 1923 30:278 (AL) Clostridium bowmanii Spring et al. 2003 53:1027* Clostridium bryantii -> Syntrophospora bryantii Clostridium butyricum Prazmowski 1880 30:278 (AL) Clostridium cadaveris (Klein 1899) McClung and McCoy 1957 30:278 (AL) Clostridium caminithermale Brisbarre et al. 2003 53:1047* Clostridium carboxidivorans Liou et al. 2005 55:2089* Clostridium carnis (Klein 1904) Spray 1939 30:278 (AL) Clostridium celatum Hauschild and Holdeman 1974 30:278 (AL) Clostridium celerecrescens Palop et al. 1989 emend. Chamkha et al. 2001 39:70* Clostridium cellobioparum Hungate 1944 30:278 (AL) Clostridium cellulofermentans He et al. 1991 41:308* Clostridium cellulolyticum Petitdemange et al. 1984 34:157* Clostridium cellulosi He et al. 1991 41:307* Clostridium cellulovorans Sleat et al. 1985 35:223 Clostridium chartatabidum Kelly et al. 1996 46:625 Clostridium chauvoei (Arloing et al. 1887) Scott 1928 30:278 (AL) Clostridium clostridiiforme see: Clostridium clostridioforme Clostridium clostridioforme (Burri and Ankersmit 1906) Kaneuchi et al. 1976 (corrig.) 30:278 (AL) Clostridium coccoides Kaneuchi et al. 1976 30:278 (AL) Clostridium cochlearium (Douglas et al. 1919) Bergey et al. 1923 30:279 (AL) Clostridium cocleatum Kaneuchi et al. 1979 30:279 (AL) Clostridium colicanis Greetham et al. 2003 53:261* Clostridium colinum (ex Berkhoff et al. 1974) Berkhoff 1985 35:155* Clostridium collagenovorans Jain and Zeikus 1988 38:328 Clostridium cylindrosporum (ex Barker and Beck 1942) Andreesen et al. 1985 35:206* Clostridium difficile (Hall and O'Toole 1935) Prevot 1938 30:279 (AL) Clostridium diolis Biebl and Spr”er 2003 53:627 Clostridium disporicum Horn 1987 37:398* Clostridium drakei Liou et al. 2005 55:2090* Clostridium durum -> Paenibacillus azotofixans Clostridium estertheticum see: Clostridium estertheticum subsp. estertheticum Clostridium estertheticum subsp. estertheticum Collins et al. 1993 43:188 Clostridium estertheticum subsp. laramiense (Kalchayanand et al. 1993) Spring et al. 2003 53:1028* Clostridium fallax (Weinberg and Seguin 1915) Bergey et al. 1923 30:279 (AL) Clostridium felsineum (Carbone and Tombolato 1917) Bergey et al. 1939 30:279 (AL) Clostridium fervidum (corrig.) -> Caloramator fervidus Clostridium fervidus see: Clostridium fervidum Clostridium fimetarium Kotsyurbenko et al. 1997 47:242 Clostridium formicaceticum Andreesen et al. 1970 (corrig.) 30:279 (AL) Clostridium formicoaceticum see: Clostridium formicaceticum Clostridium frigidicarnis Broda et al. 1999 49:1549* Clostridium frigoris Spring et al. 2003 53:1027* Clostridium ganghwense Kim et al. 2006 56:693* Clostridium gasigenes Broda et al. 2000 50:116* Clostridium ghoni see: Clostridium ghonii Clostridium ghonii Pr‚vot 1938 (corrig.) 30:279 (AL) Clostridium glycolicum Gaston and Stadtman 1963 emend. Chamkha et al. 2001 30:279 (AL) Clostridium grantii Mountfort et al. 1996 46:625 Clostridium haemolyticum (Hall 1929) Scott et al. 1935 30:280 (AL) Clostridium halophilum Fendrich et al. 1991 41:580 Clostridium hastiforme => Tissierella praeacuta Clostridium hathewayi Steer et al. 2002 52:685 Clostridium herbivorans Varel et al. 1995 45:493* Clostridium hiranonis Kitahara et al. 2001 51:43* Clostridium histolyticum (Weinberg and Seguin 1916) Bergey et al. 1923 30:280 (AL) Clostridium homopropionicum D”rner and Schink 1991 41:580 Clostridium hungatei Monserrate et al. 2001 51:130* Clostridium hydroxybenzoicum -> Sedimentibacter hydroxybenzoicus Clostridium hylemonae Kitahara et al. 2000 50:977* Clostridium indolis McClung and McCoy 1957 30:280 (AL) Clostridium innocuum Smith and King 1962 30:280 (AL) Clostridium intestinale Lee et al. 1989 (corrig.) 39:335* Clostridium intestinalis see: Clostridium intestinale Clostridium irregulare (Choukevitch 1911) Prevot 1938 (corrig.) 30:280 (AL) Clostridium irregularis see: Clostridium irregulare Clostridium isatidis Padden et al. 1999 49:1030* Clostridium jejuense Jeong et al. 2004 54:1467* Clostridium josui Sukhumavasi et al. 1988 38:179* Clostridium kluyveri Barker and Taha 1942 30:280 (AL) Clostridium lactatifermentans van der Wielen et al. 2002 52:925* Clostridium lacusfryxellense Spring et al. 2003 53:1027* Clostridium laramiense -> Clostridium estertheticum subsp. laramiense Clostridium lentocellum Murray et al. 1987 37:179 Clostridium lentoputrescens => Clostridium cochlearium Clostridium leptum Moore et al. 1976 30:280 (AL) Clostridium limosum Andre 1948 30:280 (AL) Clostridium litorale Fendrich et al. 1991 41:580 Clostridium lituseburense (Laplanche and Saissac 1948) McClung and McCoy 1957 30:280 (AL) Clostridium ljungdahlii Tanner et al. 1993 43:235* Clostridium lortetii -> Sporohalobacter lortetii Clostridium lundense Cirne et al. 2006 56:627* Clostridium magnum Schink 1984 34:355 Clostridium malenominatum (Weinberg et al. 1937) Spray 1948 30:281 (AL) Clostridium mangenotii (Pr‚vot and ZimmŠs-Chaverou 1947) McClung and McCoy 1957 30:281 (AL) Clostridium mayombei Kane et al. 1992 42:191 Clostridium methoxybenzovorans Mechichi et al. 1999 49:1207* Clostridium methylpentosum Himelbloom and Canale-Parola 1989 39:495 Clostridium neopropionicum Tholozan et al. 1995 45:879 Clostridium nexile Holdeman and Moore 1974 30:281 (AL) Clostridium novyi (Migula 1894) Bergey et al. 1923 30:281 (AL) Clostridium oceanicum Smith 1970 30:281 (AL) Clostridium orbiscindens Winter et al. 1991 41:356* Clostridium oroticum (Wachsman and Barker 1954) Cato et al. 1968 30:281 (AL) Clostridium oxalicum -> Oxalophagus oxalicus Clostridium papyrosolvens Madden et al. 1982 32:90* Clostridium paradoxum Li et al. 1993 43:454* Clostridium paraperfringens => Clostridium baratii Clostridium paraputrificum (Bienstock 1906) Snyder 1936 30:281 (AL) Clostridium pascui Wilde et al. 1997 47:169* Clostridium pasteurianum Winogradsky 1895 30:281 (AL) Clostridium peptidivorans Mechichi et al. 2000 50:1263* Clostridium perenne => Clostridium baratii Clostridium perfringens (Veillon and Zuber 1898) Hauduroy et al. 1937 30:282 (AL) Clostridium pfennigii -> Oxobacter pfennigii Clostridium phytofermentans Warnick et al. 2002 52:1158* Clostridium piliforme (ex Tyzzer 1917) Duncan et al. 1993 43:315* Clostridium polysaccharolyticum (van Gylswyk 1981) van Gylswyk et al. 1983 33:438 Clostridium populeti Sleat and Mah 1985 35:160* Clostridium propionicum Cardon and Barker 1946 30:282 (AL) Clostridium proteoclasticum Attwood et al. 1996 46:755* Clostridium proteolyticum Jain and Zeikus 1988 38:328 Clostridium psychrophilum Spring et al. 2003 53:1028* Clostridium puniceum Lund et al. 1981 31:216 Clostridium purinilyticum Drre et al. 1981 (corrig.) 31:192* Clostridium purinolyticum see: Clostridium purinilyticum Clostridium putrefaciens (McBryde 1911) Sturges and Drake 1927 30:282 (AL) Clostridium putrificum (Trevisan 1889) Reddish and Rettger 1922 (rejected name) 30:282 (AL) Clostridium quercicolum -> Dendrosporobacter quercicolus Clostridium quinii Svensson et al. 1995 45:879 Clostridium ramosum (Veillon and Zuber 1898) Holdeman et al. 1971 30:282 (AL) Clostridium rectum (Heller 1922) Holdeman and Moore 1972 30:282 (AL) Clostridium roseum (ex McCoy and McClung 1935) Cato et al. 1988 38:220 Clostridium saccharobutylicum Keis et al. 2001 51:2101* Clostridium saccharolyticum Murray et al. 1982 32:135* Clostridium saccharoperbutylacetonicum Keis et al. 2001 51:2101* Clostridium sardiniense Prevot 1938 emend. Wang et al. 2005 (corrig.) 30:282 (AL) Clostridium sardiniensis see: Clostridium sardiniense Clostridium sartagoforme Partansky and Henry 1935 (corrig.) 30:283 (AL) Clostridium sartagoformum see: Clostridium sartagoforme Clostridium scatologenes (Weinberg and Ginsbourg 1927) Prevot 1948 30:282 (AL) Clostridium schirmacherense Alam et al. 2006 56:719* Clostridium scindens Morris et al. 1985 35:478* Clostridium septicum (Mace 1889) Ford 1927 30:283 (AL) Clostridium sordellii (Hall and Scott 1927) Pr‚vot 1938 30:283 (AL) Clostridium sphenoides (Douglas et al. 1919) Bergey et al. 1923 30:283 (AL) Clostridium spiroforme Kaneuchi et al. 1979 30:283 (AL) Clostridium sporogenes (Metchnikoff 1908) Bergey et al. 1923 30:283 (AL) Clostridium sporosphaeroides Soriano and Soriano 1948 30:283 (AL) Clostridium stercorarium see: Clostridium stercorarium subsp. stercorarium Clostridium stercorarium subsp. leptospartum (Toda et al. 1989) Fardeau et al. 2001 51:1130* Clostridium stercorarium subsp. stercorarium Madden 1983 emend. Fardeau et al. 2001 33:839* Clostridium stercorarium subsp. thermolacticum (Le Ruyet et al. 1988) Fardeau et al. 2001 51:1130* Clostridium sticklandii Stadtman and McClung 1957 30:283 (AL) Clostridium straminisolvens Kato et al. 2004 54:2046* Clostridium subterminale (Hall and Whitehead 1927) Spray 1948 30:284 (AL) Clostridium symbiosum (Stevens 1956) Kaneuchi et al. 1976 30:284 (AL) Clostridium termitidis Hethener et al. 1992 42:327 Clostridium tertium (Henry 1917) Bergey et al. 1923 30:284 (AL) Clostridium tetani (Flgge 1886) Bergey et al. 1923 30:284 (AL) Clostridium tetanomorphum (ex Bulloch et al. 1919) Wilde et al. 1989 39:133* Clostridium thermaceticum (corrig.) -> Moorella thermoacetica Clostridium thermautotrophicum (corrig.) -> Moorella thermoautotrophica Clostridium thermoaceticum see: Clostridium thermaceticum Clostridium thermoalcaliphilum Li et al. 1994 44:113* Clostridium thermoautotrophicum see: Clostridium thermautotrophicum Clostridium thermobutyricum Wiegel et al. 1989 39:200* Clostridium thermocellum Viljoen et al. 1926 30:284 (AL) Clostridium thermocopriae -> Thermoanaerobacter thermocopriae Clostridium thermohydrosulfuricum -> Thermoanaerobacter thermohydrosulfuricus Clostridium thermolacticum -> Clostridium stercorarium subsp. thermolacticum Clostridium thermopalmarium Soh et al. 1991 41:331 Clostridium thermopapyrolyticum M‚ndez et al. 1991 41:282* Clostridium thermosaccharolyticum -> Thermoanaerobacterium thermosaccharolyticum Clostridium thermosuccinogenes Drent et al. 1995 45:879 Clostridium thermosulfurigenes (corrig.) -> Thermoanaerobacterium thermosulfurigenes Clostridium thermosulfurogenes see: Clostridium thermosulfurigenes Clostridium thiosulfatireducens Hernandez-Eugenio et al. 2002 52:1466* Clostridium tyrobutyricum van Beynum and Pette 1935 30:284 (AL) Clostridium uliginosum Matthies et al. 2001 51:1124* Clostridium ultunense Schnrer et al. 1996 46:1151* Clostridium villosum -> Filifactor villosus Clostridium vincentii Mountfort et al. 1997 47:915 Clostridium viride Buckel et al. 1995 45:619 Clostridium xylanolyticum Rogers and Baecker 1991 emend. Chamkha et al. 2001 41:142* Clostridium xylanovorans Mechichi et al. 2000 50:3 COBETIA Arahal et al. 2002 52:1915 Cobetia marina (Cobet et al. 1970) Arahal et al. 2002 52:1915 COENONIA Vandamme et al. 1999 49:873* Coenonia anatina Vandamme et al. 1999 49:873* COHNELLA K„mpfer et al. 2006 56:784* Cohnella hongkongensis K„mpfer et al. 2006 56:785* Cohnella thermotolerans K„mpfer et al. 2006 56:784* COLLIMONAS de Boer et al. 2004 54:863* Collimonas fungivorans de Boer et al. 2004 54:863* COLLINSELLA Kageyama et al. 1999 emend. Kageyama and Benno 2000 49:564* Collinsella aerofaciens (Eggerth 1935) Kageyama et al. 1999 49:564* Collinsella intestinalis Kageyama and Benno 2000 50:1773* Collinsella stercoris Kageyama and Benno 2000 50:1773* COLWELLIA Deming et al. 1988 38:328 Colwellia aestuarii Jung et al. 2006 56:37* Colwellia demingiae Bowman et al. 1998 48:1178* Colwellia hadaliensis Deming et al. 1988 38:328 Colwellia hornerae Bowman et al. 1998 48:1178* Colwellia maris Yumoto et al. 1998 48:1361* Colwellia piezophila Nogi et al. 2004 54:1630* Colwellia psychrerythraea (ex D'Aoust and Kushner 1972) Deming et al. 1988 (corrig.) 38:328 Colwellia psychroerythrus see: Colwellia psychrerythraea Colwellia psychrotropica Bowman et al. 1998 48:1179* Colwellia rossensis Bowman et al. 1998 48:1179* COMAMONAS (ex Davis and Park 1962) DeVos et al. 1985 emend. Willems et al. 1991 35:450* Comamonas acidovorans -> Delftia acidovorans Comamonas aquatica (Hylemon et al. 1973) Wauters et al. 2003 53:861* Comamonas badia Tago and Yokota 2005 55:983 Comamonas denitrificans Gumaelius et al. 2001 51:1005* Comamonas kerstersii Wauters et al. 2003 53:862* Comamonas koreensis Chang et al. 2002 52:380* Comamonas nitrativorans Etchebehere et al. 2001 51:982* Comamonas terrigena (ex Hugh 1962) DeVos et al. 1985 emend. Wauters et al. 2003 35:450* Comamonas testosteroni (Marcus and Talalay 1956) Tamaoka et al. 1987 37:58* CONCHIFORMIBIUM see: CONCHIFORMIBIUS Conchiformibium kuhniae see: Conchiformibius kuhniae Conchiformibium steedae see: Conchiformibius steedae CONCHIFORMIBIUS Xie and Yokota 2005 (corrig.) 55:1395 Conchiformibius kuhniae Xie and Yokota 2005 (corrig.) 55:1395 Conchiformibius steedae (Kuhn and Gregory 1979) Xie and Yokota 2005 (corrig.) 55:1395 CONEXIBACTER Monciardini et al. 2003 53:574* Conexibacter woesei Monciardini et al. 2003 53:575* CONGLOMEROMONAS Skerman et al. 1983 33:306* Conglomeromonas largomobilis Skerman et al. 1983 33:306* Conglomeromonas largomobilis subsp. largomobilis -> Azospirillum largimobile Conglomeromonas largomobilis subsp. parooensis -> Skermanella parooensis COPROBACILLUS Kageyama and Benno 2000 50:949 Coprobacillus cateniformis Kageyama and Benno 2000 50:949 COPROCOCCUS Holdeman and Moore 1974 30:285 (AL) Coprococcus catus Holdeman and Moore 1974 30:285 (AL) Coprococcus comes Holdeman and Moore 1974 30:285 (AL) Coprococcus eutactus Holdeman and Moore 1974 30:285 (AL) COPROTHERMOBACTER Rainey and Stackebrandt 1993 43:857* Coprothermobacter platensis Etchebehere et al. 1998 48:1302* Coprothermobacter proteolyticus (Ollivier et al. 1985) Rainey and Stackebrandt 1993 43:858* CORIOBACTERIUM Haas and K”nig 1988 38:382* Coriobacterium glomerans Haas and K”nig 1988 38:382* CORYNEBACTERIUM Lehmann and Neumann 1896 30:285 (AL) Corynebacterium accolens Neubauer et al. 1991 41:331 Corynebacterium afermentans Riegel et al. 1993 43:291* Corynebacterium afermentans subsp. afermentans Riegel et al. 1993 43:291* Corynebacterium afermentans subsp. lipophilum Riegel et al. 1993 43:291* Corynebacterium ammoniagenes (Cooke and Keith 1927) Collins 1987 37:442* Corynebacterium amycolatum Collins et al. 1988 38:449 Corynebacterium appendicis Yassin et al. 2002 52:1168* Corynebacterium aquilae Fern ndez-Garayz bal et al. 2003 53:1138* Corynebacterium argentoratense Riegel et al. 1995 45:537* Corynebacterium atypicum Hall et al. 2003 53:1067* Corynebacterium aurimucosum Yassin et al. 2002 emend. Daneshvar et al. 2004 52:1004* Corynebacterium auris Funke et al. 1995 45:738* Corynebacterium auriscanis Collins et al. 2000 50:423 Corynebacterium betae -> Curtobacterium flaccumfaciens Corynebacterium beticola Abdou 1969 30:285 (AL) Corynebacterium bovis Bergey et al. 1923 30:285 (AL) Corynebacterium callunae (Lee and Good 1963) Yamada and Komagata 1972 30:285 (AL) Corynebacterium camporealensis Fern ndez-Garayz bal et al. 1998 48:466* Corynebacterium capitovis Collins et al. 2001 51:858* Corynebacterium casei Brennan et al. 2001 51:850* Corynebacterium caspium Collins et al. 2004 54:927* Corynebacterium ciconiae Fern ndez-Garayz bal et al. 2004 54:2194* Corynebacterium confusum Funke et al. 1998 48:1294* Corynebacterium coyleae Funke et al. 1997 47:94* Corynebacterium cystitidis Yanagawa and Honda 1978 30:285 (AL) Corynebacterium diphtheriae (Kruse 1886) Lehmann and Neumann 1896 30:285 (AL) Corynebacterium durum Riegel et al. 1997 47:1110* Corynebacterium efficiens Fudou et al. 2002 52:1130* Corynebacterium equi -> Rhodococcus equi Corynebacterium falsenii Sj”d‚n et al. 1998 48:73* Corynebacterium fascians -> Rhodococcus fascians Corynebacterium felinum Collins et al. 2001 51:1351* Corynebacterium flaccumfaciens -> Curtobacterium flaccumfaciens Corynebacterium flavescens Barksdale et al. 1979 30:286 (AL) Corynebacterium freneyi Renaud et al. 2001 51:1728* Corynebacterium glaucum Yassin et al. 2003 53:708* Corynebacterium glucuronolyticum Funke et al. 1995 45:879 Corynebacterium glutamicum (Kinoshita et al. 1958) Abe et al. 1967 30:286 (AL) Corynebacterium halotolerans Chen et al. 2004 54:781* Corynebacterium hoagii (Morse 1912) Eberson 1918 30:286 (AL) Corynebacterium ilicis -> Arthrobacter ilicis Corynebacterium imitans Funke et al. 1997 47:1274 Corynebacterium insidiosum -> Clavibacter michiganensis subsp. insidiosus Corynebacterium iranicum -> Rathayibacter iranicus Corynebacterium jeikeium Jackman et al. 1988 38:136 Corynebacterium kroppenstedtii Collins et al. 1998 48:1453* Corynebacterium kutscheri (Migula 1900) Bergey et al. 1925 30:286 (AL) Corynebacterium lilium => Corynebacterium glutamicum Corynebacterium lipophiloflavum Funke et al. 1997 47:1274 Corynebacterium macginleyi Riegel et al. 1995 45:132* Corynebacterium mastitidis Fernandez-Garayzabal et al. 1997 47:1084* Corynebacterium matruchotii (Mendel 1919) Collins 1983 33:438 Corynebacterium michiganense -> Clavibacter michiganensis subsp. michiganensis Corynebacterium michiganense subsp. insidiosum -> Clavibacter michiganensis subsp. insidiosus Corynebacterium michiganense subsp. michiganense -> Clavibacter michiganensis subsp. michiganensis Corynebacterium michiganense subsp. nebraskense -> Clavibacter michiganensis subsp. nebraskensis Corynebacterium michiganense subsp. sepedonicum -> Clavibacter michiganensis subsp. sepedonicus Corynebacterium michiganense subsp. tessellarius -> Clavibacter michiganensis subsp. tessellarius Corynebacterium minutissimum (ex Sarkany et al. 1962) Collins and Jones 1983 emend. Yassin et al. 2002 33:870* Corynebacterium mooreparkense => Corynebacterium variabile Corynebacterium mucifaciens Funke et al. 1997 47:956* Corynebacterium mycetoides (ex Castellani 1942) Collins 1983 33:438 Corynebacterium nebraskense -> Clavibacter michiganensis subsp. nebraskensis Corynebacterium nigricans => Corynebacterium aurimucosum Corynebacterium oortii -> Curtobacterium flaccumfaciens Corynebacterium paurometabolum -> Tsukamurella paurometabola Corynebacterium phocae Pascual et al. 1998 48:603* Corynebacterium pilosum Yanagawa and Honda 1978 30:287 (AL) Corynebacterium poinsettiae -> Curtobacterium flaccumfaciens Corynebacterium propinquum Riegel et al. 1994 44:370 Corynebacterium pseudodiphtheriticum Lehmann and Neumann 1896 30:287 (AL) Corynebacterium pseudotuberculosis (Buchanan 1911) Eberson 1918 30:287 (AL) Corynebacterium pyogenes -> Arcanobacterium pyogenes Corynebacterium rathayi -> Rathayibacter rathayi Corynebacterium renale (Migula 1900) Ernst 1906 30:287 (AL) Corynebacterium resistens Otsuka et al. 2005 55:2235 Corynebacterium riegelii Funke et al. 1998 48:627 Corynebacterium seminale Riegel et al. 1996 46:362 Corynebacterium sepedonicum -> Clavibacter michiganensis subsp. sepedonicus Corynebacterium simulans Wattiau et al. 2000 50:351* Corynebacterium singulare Riegel et al. 1997 47:1095* Corynebacterium sphenisci Goyache et al. 2003 53:1012* Corynebacterium spheniscorum Goyache et al. 2003 53:46* Corynebacterium striatum (Chester 1901) Eberson 1918 30:287 (AL) Corynebacterium suicordis Vela et al. 2003 53:2030* Corynebacterium sundsvallense Collins et al. 1999 49:364* Corynebacterium terpenotabidum Takeuchi et al. 1999 49:228* Corynebacterium testudinoris Collins et al. 2001 51:1351* Corynebacterium thomssenii Zimmermann et al. 1998 48:491* Corynebacterium tritici -> Rathayibacter tritici Corynebacterium tuberculostearicum Feurer et al. 2004 54:1059* Corynebacterium tuscaniae see: Corynebacterium tuscaniense Corynebacterium tuscaniense Riegel et al. 2006 (corrig.) 56:2025 Corynebacterium ulcerans (ex Gilbert and Stewart 1927) Riegel et al. 1995 45:619 Corynebacterium urealyticum Pitcher et al. 1992 42:180* Corynebacterium variabile (Mller 1961) Collins 1987 (corrig.) 37:287* Corynebacterium variabilis see: Corynebacterium variabile Corynebacterium vitaeruminis (Bechdel et al. 1928) Lan‚elle et al. 1980 (corrig.) 30:542* Corynebacterium xerosis (Lehmann and Neumann 1896) Lehmann and Neumann 1899 30:287 (AL) COSTERTONIA Kwon et al. 2006 56:1352* Costertonia aggregata Kwon et al. 2006 56:1352* COUCHIOPLANES Tamura et al. 1994 44:199* Couchioplanes caeruleus (Horan and Brodsky 1986) Tamura et al. 1994 44:200* Couchioplanes caeruleus subsp. azureus Tamura et al. 1994 44:201* Couchioplanes caeruleus subsp. caeruleus (Horan and Brodsky 1986) Tamura et al. 1994 44:201* COWDRIA => EHRLICHIA Cowdria ruminantium -> Ehrlichia ruminantium COXIELLA (Philip 1943) Philip 1948 30:287 (AL) Coxiella burnetii (Derrick 1939) Philip 1948 30:287 (AL) CRABTREELLA = SHINELLA Crabtreella saccharophila = Shinella zoogloeoides CRAUROCOCCUS Saitoh et al. 1998 48:1044* Craurococcus roseus Saitoh et al. 1998 48:1045* CRENOTHRIX Cohn 1870 30:288 (AL) Crenothrix polyspora Cohn 1870 30:288 (AL) CRISTISPIRA Gross 1910 30:288 (AL) Cristispira pectinis Gross 1910 30:288 (AL) CROCEIBACTER Cho and Giovannoni 2003 53:935 Croceibacter atlanticus Cho and Giovannoni 2003 53:935 CROCINITOMIX Bowman et al. 2003 53:1353* Crocinitomix catalasitica Bowman et al. 2003 53:1353* CROSSIELLA Labeda 2001 51:1578* Crossiella cryophila (Labeda and Lechevalier 1989) Labeda 2001 51:1579* Crossiella equi Donahue et al. 2002 52:2172* CRYOBACTERIUM Suzuki et al. 1997 47:477* Cryobacterium psychrophilum (ex Inoue and Komagata 1976) Suzuki et al. 1997 47:477* CRYOMORPHA Bowman et al. 2003 53:1352* Cryomorpha ignava Bowman et al. 2003 53:1353* CRYPTANAEROBACTER Juteau et al. 2005 55:249* Cryptanaerobacter phenolicus Juteau et al. 2005 55:249* CRYPTOBACTERIUM Nakazawa et al. 1999 49:1199* Cryptobacterium curtum Nakazawa et al. 1999 49:1199* CRYPTOSPORANGIUM Tamura et al. 1998 48:1003* Cryptosporangium arvum Tamura et al. 1998 48:1003* Cryptosporangium aurantiacum (ex Ruan et al. 1976) Tamura and Hatano 2001 51:2124* Cryptosporangium japonicum Tamura et al. 1998 48:1003* Cryptosporangium minutisporangium (Ruan et al. 1986) Tamura and Hatano 2001 51:2123* CUPRIAVIDUS Makkar and Casida 1987 emend. Vandamme and Coenye 2004 37:323* Cupriavidus basilensis (Steinle et al. 1999) Vandamme and Coenye 2004 54:2287* Cupriavidus campinensis (Goris et al. 2001) Vandamme and Coenye 2004 54:2287 Cupriavidus gilardii (Coenye et al. 1999) Vandamme and Coenye 2004 54:2287 Cupriavidus laharis Sato et al. 2006 56:977* Cupriavidus metallidurans (Goris et al. 2001) Vandamme and Coenye 2004 54:2287 Cupriavidus necator Makkar and Casida 1987 37:323* Cupriavidus oxalaticus (Sahin et al. 2000) Vandamme and Coenye 2004 54:2288* Cupriavidus pauculus (Vandamme et al. 1999) Vandamme and Coenye 2004 54:2288 Cupriavidus pinatubonensis Sato et al. 2006 56:977* Cupriavidus respiraculi (Coenye et al. 2003) Vandamme and Coenye 2004 54:2288 Cupriavidus taiwanensis (Chen et al. 2001) Vandamme and Coenye 2004 54:2288 CURTOBACTERIUM Yamada and Komagata 1972 30:288 (AL) Curtobacterium albidum (Komagata and Iizuka 1964) Yamada and Komagata 1972 30:288 (AL) Curtobacterium citreum (Komagata and Iizuka 1964) Yamada and Komagata 1972 30:288 (AL) Curtobacterium flaccumfaciens (Hedges 1922) Collins and Jones 1984 34:270 Curtobacterium herbarum Behrendt et al. 2002 52:1452* Curtobacterium luteum (Komagata and Iizuka 1964) Yamada and Komagata 1972 30:288 (AL) Curtobacterium plantarum Dunleavy 1989 39:247* Curtobacterium pusillum (Iizuka and Komagata 1965) Yamada and Komagata 1972 30:288 (AL) Curtobacterium saperdae -> Microbacterium saperdae Curtobacterium testaceum -> Microbacterium testaceum CURVIBACTER Ding and Yokota 2004 54:2228* Curvibacter delicatus (Leifson 1962) Ding and Yokota 2004 54:2229* Curvibacter gracilis Ding and Yokota 2004 54:2228 Curvibacter lanceolatus (Leifson 1962) Ding and Yokota 2004 54:2229 CYCLOBACTERIUM Raj and Maloy 1990 40:345* Cyclobacterium amurskyense Nedashkovskaya et al. 2005 55:2394* Cyclobacterium marinum (Raj 1976) Raj and Maloy 1990 (corrig.) 40:346* Cyclobacterium marinus see: Cyclobacterium marinum CYCLOCLASTICUS Dyksterhouse et al. 1995 45:120* Cycloclasticus pugetii Dyksterhouse et al. 1995 45:120* CYSTOBACTER Schroeter 1886 30:288 (AL) Cystobacter ferrugineus (Krzemieniewska and Krzemieniewski 1927) McCurdy 1970 30:288 (AL) Cystobacter fuscus Schroeter 1886 30:289 (AL) Cystobacter minus (Krzemieniewska and Krzemieniewski 1926) McCurdy 1970 30:289 (AL) CYTOPHAGA Winogradsky 1929 emend. Nakagawa and Yamasato 1996 30:289 (AL) Cytophaga agarovorans -> Marinilabilia agarovorans Cytophaga aprica -> Flammeovirga aprica Cytophaga aquatilis -> Flavobacterium hydatis Cytophaga arvensicola -> Chitinophaga arvensicola Cytophaga aurantiaca (ex Winogradsky 1929) Reichenbach 1989 39:495 Cytophaga columnaris = Flavobacterium columnare Cytophaga diffluens -> Persicobacter diffluens Cytophaga fermentans Bachmann 1955 30:289 (AL) Cytophaga flevensis -> Flavobacterium flevense Cytophaga heparina -> Pedobacter heparinus Cytophaga hutchinsonii Winogradsky 1929 30:289 (AL) Cytophaga johnsonae -> Flavobacterium johnsoniae Cytophaga latercula -> Aquimarina latercula Cytophaga lytica -> Cellulophaga lytica Cytophaga marina => Tenacibaculum maritimum Cytophaga marinoflava -> Leeuwenhoekiella marinoflava Cytophaga pectinovora -> Flavobacterium pectinovorum Cytophaga psychrophila -> Flavobacterium psychrophilum Cytophaga saccharophila -> Flavobacterium saccharophilum Cytophaga salmonicolor -> Marinilabilia salmonicolor Cytophaga succinicans -> Flavobacterium succinicans Cytophaga uliginosa -> Zobellia uliginosa Cytophaga xylanolytica Haak and Breznak 1993 43:624 DACTYLOSPORANGIUM Thiemann et al. 1967 30:289 (AL) Dactylosporangium aurantiacum Thiemann et al. 1967 30:289 (AL) Dactylosporangium fulvum Shomura et al. 1986 36:166* Dactylosporangium matsuzakiense Shomura and Niida 1983 33:672 Dactylosporangium roseum Shomura et al. 1985 35:1* Dactylosporangium thailandense Thiemann et al. 1967 30:289 (AL) Dactylosporangium vinaceum Shomura et al. 1983 33:312* DECHLOROMONAS Achenbach et al. 2001 51:531* Dechloromonas agitata Achenbach et al. 2001 51:531* Dechloromonas denitrificans Horn et al. 2005 55:1263* Dechloromonas hortensis Wolterink et al. 2005 55:2067* DECHLOROSOMA => AZOSPIRA Dechlorosoma suillum => Azospira oryzae DEFERRIBACTER Greene et al. 1997 47:508* Deferribacter abyssi Miroshnichenko et al. 2003 53:1640* Deferribacter desulfuricans Takai et al. 2003 53:845* Deferribacter thermophilus Greene et al. 1997 47:509* DEFLUVIBACTER Fritsche et al. 1999 49:1325 Defluvibacter lusatiae see: Defluvibacter lusatiensis Defluvibacter lusatiensis Fritsche et al. 1999 (corrig.) 49:1325 DEFLUVICOCCUS see: DEFLUVIICOCCUS Defluvicoccus vanus see: Defluviicoccus vanus DEFLUVIICOCCUS Maszenan et al. 2005 (corrig.) 55:2109* Defluviicoccus vanus Maszenan et al. 2005 (corrig.) 55:2109* DEHALOBACTER Holliger et al. 1998 48:631 Dehalobacter restrictus Holliger et al. 1998 48:631 DEHALOSPIRILLUM => SULFUROSPIRILLUM Dehalospirillum multivorans -> Sulfurospirillum multivorans DEINOBACTER => DEINOCOCCUS Deinobacter grandis -> Deinococcus grandis DEINOCOCCUS Brooks and Murray 1981 emend. Rainey et al. 1997 31:354* Deinococcus apachensis Rainey and da Costa 2005 55:2235 Deinococcus deserti de Groot et al. 2005 55:2445* Deinococcus erythromyxa -> Kocuria erythromyxa Deinococcus ficus Lai et al. 2006 56:790* Deinococcus frigens Hirsch et al. 2006 56:925 Deinococcus geothermalis Ferreira et al. 1997 47:945* Deinococcus grandis (Oyaizu et al. 1987) Rainey et al. 1997 47:513* Deinococcus hohokamensis Rainey and da Costa 2005 55:2235 Deinococcus hopiensis Rainey and da Costa 2005 55:2235 Deinococcus indicus Suresh et al. 2004 54:460* Deinococcus maricopensis Rainey and da Costa 2005 55:2235 Deinococcus marmoris Hirsch et al. 2006 56:925 Deinococcus mumbaiensis Shashidhar and Bandekar 2006 56:925 Deinococcus murrayi Ferreira et al. 1997 47:945* Deinococcus navajonensis Rainey and da Costa 2005 55:2235 Deinococcus papagonensis Rainey and da Costa 2005 55:2235 Deinococcus pimensis Rainey and da Costa 2005 55:2235 Deinococcus proteolyticus (ex Kobatake et al. 1973) Brooks and Murray 1981 31:357* Deinococcus radiodurans (ex Raj et al. 1960) Brooks and Murray 1981 31:354* Deinococcus radiophilus (ex Lewis 1973) Brooks and Murray 1981 31:357* Deinococcus radiopugnans Brooks and Murray 1981 31:358* Deinococcus saxicola Hirsch et al. 2006 56:925 Deinococcus sonorensis Rainey and da Costa 2005 55:2236 Deinococcus yavapaiensis Rainey and da Costa 2005 55:2236 DELEYA => HALOMONAS Deleya aesta => Halomonas aquamarina Deleya aquamarina -> Halomonas aquamarina Deleya cupida -> Halomonas cupida Deleya halophila -> Halomonas halophila Deleya marina -> Cobetia marina Deleya pacifica -> Halomonas pacifica Deleya salina -> Halomonas salina Deleya venusta -> Halomonas venusta DELFTIA Wen et al. 1999 49:573* Delftia acidovorans (den Dooren de Jong 1926) Wen et al. 1999 49:573* Delftia tsuruhatensis Shigematsu et al. 2003 53:1482* DEMETRIA Groth et al. 1997 47:1132* Demetria terragena Groth et al. 1997 47:1132* DENDROSPOROBACTER Str”mpl et al. 2000 50:105* Dendrosporobacter quercicolus (Stankewich et al. 1971) Str”mpl et al. 2000 50:105* DENITRATISOMA Fahrbach et al. 2006 56:1549* Denitratisoma oestradiolicum Fahrbach et al. 2006 56:1550* DENITROBACTERIUM Anderson et al. 2000 50:636* Denitrobacterium detoxificans Anderson et al. 2000 50:637* DENITROVIBRIO Myhr and Torsvik 2000 50:1618* Denitrovibrio acetiphilus Myhr and Torsvik 2000 50:1618* DERMABACTER Jones and Collins 1989 39:93 Dermabacter hominis Jones and Collins 1989 39:93 DERMACOCCUS Stackebrandt et al. 1995 45:689* Dermacoccus abyssi Pathom-aree et al. 2006 56:1235* Dermacoccus barathri Pathom-aree et al. 2006 56:2306* Dermacoccus nishinomiyaensis (Oda 1935) Stackebrandt et al. 1995 45:689* Dermacoccus profundi Pathom-aree et al. 2006 56:2306* DERMATOPHILUS (Van Saceghem 1915) Gordon 1964 30:289 (AL) Dermatophilus chelonae Masters et al. 1995 45:55* Dermatophilus congolensis (Van Saceghem 1915) Gordon 1964 30:289 (AL) DERXIA Jensen et al. 1960 30:290 (AL) Derxia gummosa Jensen et al. 1960 30:290 (AL) DESEMZIA Stackebrandt et al. 1999 49:187* Desemzia incerta (Steinhaus 1941) Stackebrandt et al. 1999 49:187* DESULFACINUM Rees et al. 1995 emend. Sievert and Kuever 2000 45:88* Desulfacinum hydrothermale Sievert and Kuever 2000 50:1244* Desulfacinum infernum Rees et al. 1995 45:88* DESULFARCULUS Kuever et al. 2006 56:2 Desulfarculus baarsii (Widdel 1981) Kuever et al. 2006 56:2 DESULFATIBACILLUM Cravo-Laureau et al. 2004 emend. Cravo-Laureau et al. 2004 54:81* Desulfatibacillum aliphaticivorans Cravo-Laureau et al. 2004 54:81* Desulfatibacillum alkenivorans Cravo-Laureau et al. 2004 54:1641* DESULFITOBACTERIUM Utkin et al. 1994 44:615* Desulfitobacterium chlororespirans Sanford et al. 2001 51:793 Desulfitobacterium dehalogenans Utkin et al. 1994 44:615* Desulfitobacterium frappieri => Desulfitobacterium hafniense Desulfitobacterium hafniense Christiansen and Ahring 1996 emend. Niggemyer et al. 2001 46:446* Desulfitobacterium metallireducens Finneran et al. 2002 52:1934* DESULFOBACCA Oude Elferink et al. 1999 49:348* Desulfobacca acetoxidans Oude Elferink et al. 1999 49:349* DESULFOBACTER Widdel 1981 31:382 Desulfobacter curvatus Widdel 1988 38:328 Desulfobacter giganteus see: Desulfovibrio giganteus Desulfobacter halotolerans Brandt and Ingvorsen 1998 48:327 Desulfobacter hydrogenophilus Widdel 1988 38:328 Desulfobacter latus Widdel 1988 38:328 Desulfobacter postgatei Widdel 1981 31:382 Desulfobacter vibrioformis Lien and Beeder 1997 47:1127* DESULFOBACTERIUM Bak and Widdel 1988 38:136 Desulfobacterium anilini Schnell et al. 1990 40:320 Desulfobacterium autotrophicum Brysch et al. 1988 38:328 Desulfobacterium catecholicum Szewzyk and Pfennig 1988 38:136 Desulfobacterium cetonicum -> Desulfosarcina cetonica Desulfobacterium indolicum Bak and Widdel 1988 38:136 Desulfobacterium macestii -> Desulfomicrobium macestii Desulfobacterium niacini Kuever et al. 2006 56:1 Desulfobacterium phenolicum -> Desulfobacula phenolica Desulfobacterium vacuolatum Kuever et al. 2006 56:1 DESULFOBACULA Rabus et al. 2000 emend. Kuever et al. 2001 50:1415 Desulfobacula phenolica (Bak and Widdel 1988) Kuever et al. 2001 51:175* Desulfobacula toluolica Rabus et al. 2000 50:1415 DESULFOBULBUS Widdel 1981 31:382 Desulfobulbus elongatus Samain et al. 1985 35:223 Desulfobulbus mediterraneus Sass et al. 2002 52:1437 Desulfobulbus propionicus Widdel 1981 31:382 Desulfobulbus rhabdoformis Lien et al. 1998 48:473* DESULFOCAPSA Janssen et al. 1997 47:601 Desulfocapsa sulfexigens Finster et al. 2000 (corrig.) 50:1699 Desulfocapsa thiozymogenes Janssen et al. 1997 47:601 DESULFOCELLA Brandt et al. 1999 49:198* Desulfocella halophila Brandt et al. 1999 49:199* DESULFOCOCCUS Widdel 1981 31:382 Desulfococcus biacutus Platen et al. 1991 41:580 Desulfococcus multivorans Widdel 1981 31:382 DESULFOFABA Knoblauch et al. 1999 emend. Abildgaard et al. 2004 49:1641* Desulfofaba fastidiosa Abildgaard et al. 2004 54:399* Desulfofaba gelida Knoblauch et al. 1999 49:1641* Desulfofaba hansenii (Finster et al. 2001) Abildgaard et al. 2004 54:398* DESULFOFRIGUS Knoblauch et al. 1999 49:1640* Desulfofrigus fragile Knoblauch et al. 1999 49:1641* Desulfofrigus oceanense Knoblauch et al. 1999 49:1640* DESULFOFUSTIS Friedrich et al. 1996 46:1067* Desulfofustis glycolicus Friedrich et al. 1996 46:1067* DESULFOHALOBIUM Ollivier et al. 1991 41:78* Desulfohalobium retbaense Ollivier et al. 1991 41:78* Desulfohalobium utahense Jakobsen et al. 2006 56:2068* DESULFOMICROBIUM Rozanova et al. 1994 44:370 Desulfomicrobium apsheronum Rozanova et al. 1994 44:370 Desulfomicrobium baculatum (Rozanova and Nazina 1984) Rozanova et al. 1994 (corrig.) 44:370 Desulfomicrobium baculatus see: Desulfomicrobium baculatum Desulfomicrobium escambiense Sharak Genthner et al. 1996 46:1189 Desulfomicrobium macestii (Gogotova and Vainstein 1989) Hippe et al. 2003 53:1129* Desulfomicrobium norvegicum Genthner et al. 1997 47:891* Desulfomicrobium orale Langendijk et al. 2001 51:1042* DESULFOMONAS => DESULFOVIBRIO Desulfomonas pigra -> Desulfovibrio piger DESULFOMONILE DeWeerd et al. 1991 41:178 Desulfomonile limimaris Sun et al. 2001 51:370* Desulfomonile tiedjei DeWeerd et al. 1991 41:178 DESULFOMUSA => DESULFOFABA Desulfomusa hansenii -> Desulfofaba hansenii DESULFONATRONOVIBRIO Zhilina et al. 1997 47:149* Desulfonatronovibrio hydrogenovorans Zhilina et al. 1997 47:149* DESULFONATRONUM Pikuta et al. 1998 48:631 Desulfonatronum cooperativum Zhilina et al. 2005 55:1005* Desulfonatronum lacustre Pikuta et al. 1998 48:631 Desulfonatronum thiodismutans Pikuta et al. 2003 53:1331* DESULFONAUTICUS Audiffrin et al. 2003 53:1589* Desulfonauticus submarinus Audiffrin et al. 2003 53:1589* DESULFONEMA Widdel 1981 31:382 Desulfonema ishimotonii Fukui et al. 2000 (corrig.) 50:1415 Desulfonema limicola Widdel 1981 31:382 Desulfonema magnum Widdel 1981 31:382 DESULFONISPORA Denger et al. 1999 49:1602* Desulfonispora thiosulfatigenes Denger et al. 1999 49:1602* DESULFOREGULA Rees and Patel 2001 51:1915* Desulforegula conservatrix Rees and Patel 2001 51:1915* DESULFORHABDUS Oude Elferink et al. 1997 47:1274 Desulforhabdus amnigena Oude Elferink et al. 1997 (corrig.) 47:1274 Desulforhabdus amnigenus see: Desulforhabdus amnigena DESULFORHOPALUS Isaksen and Teske 1999 49:935 Desulforhopalus singaporensis Lie et al. 2000 50:1699 Desulforhopalus vacuolatus Isaksen and Teske 1999 49:935 DESULFOSARCINA Widdel 1981 31:382 Desulfosarcina cetonica (Galushko and Rozanova 1994) Kuever et al. 2006 (corrig.) 56:2 Desulfosarcina cetonicum see: Desulfosarcina cetonica Desulfosarcina ovata Kuever et al. 2006 56:2 Desulfosarcina variabilis Widdel 1981 31:382 DESULFOSPIRA Finster et al. 1997 47:1274 Desulfospira joergensenii Finster et al. 1997 47:1274 DESULFOSPOROSINUS Stackebrandt et al. 1997 emend. Robertson et al. 2001 emend. Stackebrandt et al. 2003 47:1138* Desulfosporosinus auripigmenti (Newman et al. 2000) Stackebrandt et al. 2003 53:1442* Desulfosporosinus meridiei Robertson et al. 2001 51:139* Desulfosporosinus orientis (Campbell and Postgate 1965) Stackebrandt et al. 1997 47:1138* DESULFOTALEA Knoblauch et al. 1999 49:1641* Desulfotalea arctica Knoblauch et al. 1999 49:1642* Desulfotalea psychrophila Knoblauch et al. 1999 49:1641* DESULFOTHERMUS Kuever et al. 2006 56:2 Desulfothermus naphthae Kuever et al. 2006 56:2 DESULFOTIGNUM Kuever et al. 2001 51:176* Desulfotignum balticum Kuever et al. 2001 51:176* Desulfotignum phosphitoxidans Schink et al. 2002 52:1437 DESULFOTOMACULUM Campbell and Postgate 1965 30:290 (AL) Desulfotomaculum acetoxidans Widdel and Pfennig 1977 30:290 (AL) Desulfotomaculum aeronauticum Hagenauer et al. 1997 47:915 Desulfotomaculum alkaliphilum Pikuta et al. 2000 50:32* Desulfotomaculum antarcticum (ex Iizuka et al. 1969) Campbell and Singleton 1988 38:220 Desulfotomaculum arcticum Vandieken et al. 2006 56:689* Desulfotomaculum auripigmentum -> Desulfosporosinus auripigmenti Desulfotomaculum australicum Love et al. 1993 43:864 Desulfotomaculum carboxydivorans Parshina et al. 2005 55:2164* Desulfotomaculum geothermicum Daumas et al. 1990 40:105 Desulfotomaculum gibsoniae Kuever et al. 1999 49:1807* Desulfotomaculum guttoideum Gogotova and Vainstein 1986 36:573 Desulfotomaculum halophilum Tardy-Jacquenod et al. 1998 48:337* Desulfotomaculum kuznetsovii Nazina et al. 1990 40:470 Desulfotomaculum luciae Liu et al. 1997 47:620* Desulfotomaculum nigrificans (Werkman and Weaver 1927) Campbell and Postgate 1965 30:290 (AL) Desulfotomaculum orientis -> Desulfosporosinus orientis Desulfotomaculum putei Liu et al. 1997 47:619* Desulfotomaculum ruminis Campbell and Postgate 1965 30:290 (AL) Desulfotomaculum sapomandens Cord-Ruwisch and Garcia 1990 40:105 Desulfotomaculum solfataricum Goorissen et al. 2003 53:1228* Desulfotomaculum thermoacetoxidans Min and Zinder 1995 45:879 Desulfotomaculum thermobenzoicum Desulfotomaculum thermobenzoicum subsp. thermobenzoicum Desulfotomaculum thermobenzoicum subsp. thermobenzoicum Tasaki et al. 1991 41:580; 52:397* Desulfotomaculum thermobenzoicum subsp. thermosyntrophicum Plugge et al. 2002 52:398* Desulfotomaculum thermocisternum Nilsen et al. 1996 46:401* Desulfotomaculum thermosapovorans Fardeau et al. 1995 45:221* DESULFOVIBRIO Kluyver and van Niel 1936 emend. Loubinoux et al. 2002 30:290 (AL) Desulfovibrio acrylicus van der Maarel et al. 1997 47:242 Desulfovibrio aespoeensis Motamedi and Pedersen 1998 48:313* Desulfovibrio africanus Campbell et al. 1966 30:290 (AL) Desulfovibrio alaskensis Feio et al. 2004 54:1751* Desulfovibrio alcoholivorans Qatibi et al. 1995 (corrig.) 45:879 Desulfovibrio alcoholovorans see: Desulfovibrio alcoholivorans Desulfovibrio alkalitolerans Abildgaard et al. 2006 56:1023* Desulfovibrio aminophilus Baena et al. 1999 49:341 Desulfovibrio baarsii -> Desulfarculus baarsii Desulfovibrio baculatus -> Desulfomicrobium baculatum Desulfovibrio bastinii Magot et al. 2004 54:1696* Desulfovibrio burkinensis Ouattara et al. 1999 49:642* Desulfovibrio carbinolicus Nanninga and Gottschal 1995 45:879 Desulfovibrio cuneatus Sass et al. 1998 48:1083 Desulfovibrio dechloracetivorans Sun et al. 2001 51:1 Desulfovibrio desulfuricans (Beijerinck 1895) Kluyver and van Niel 1936 30:291 (AL) Desulfovibrio desulfuricans subsp. aestuarii Postgate and Campbell 1966 30:290 (AL) Desulfovibrio desulfuricans subsp. desulfuricans (Beijerinck 1895) Kluyver and van Niel 1936 30:291 (AL) Desulfovibrio ferrireducens Vandieken et al. 2006 56:684* Desulfovibrio frigidus Vandieken et al. 2006 56:684* Desulfovibrio fructosivorans Ollivier et al. 1990 (corrig.) 40:105 Desulfovibrio fructosovorans see: Desulfovibrio fructosivorans Desulfovibrio furfuralis Folkerts et al. 1989 39:495 Desulfovibrio gabonensis Tardy-Jacquenod et al. 1996 46:714* Desulfovibrio giganteus Esnault et al. 1988 38:328 Desulfovibrio gigas Le Gall 1963 30:290 (AL) Desulfovibrio gracilis Magot et al. 2004 54:1697* Desulfovibrio halophilus Caumette et al. 1991 41:331 Desulfovibrio hydrothermalis Alazard et al. 2003 53:173* Desulfovibrio indonesiensis Feio et al. 2000 (corrig.) 50:1415 Desulfovibrio inopinatus Reichenbecher and Schink 1999 49:1 Desulfovibrio intestinalis Fr”hlich et al. 1999 49:1325 Desulfovibrio litoralis Sass et al. 1998 48:1083 Desulfovibrio longreachensis Redburn and Patel 1995 45:879 Desulfovibrio longus Magot et al. 1992 42:402* Desulfovibrio magneticus Sakaguchi et al. 2002 52:219* Desulfovibrio mexicanus Hernandez-Eugenio et al. 2001 51:263 Desulfovibrio oxamicus (Postgate and Campbell 1966) L¢pez-Cort‚s et al. 2006 56:1498* Desulfovibrio oxyclinae Krekeler et al. 2000 50:1699 Desulfovibrio piger (Moore et al. 1976) Loubinoux et al. 2002 52:1307* Desulfovibrio profundus Bale et al. 1997 47:520* Desulfovibrio putealis Basso et al. 2005 55:104* Desulfovibrio salexigens Postgate and Campbell 1966 30:290 (AL) Desulfovibrio sapovorans Widdel 1981 31:382 Desulfovibrio senezii Tsu et al. 1999 49:341 Desulfovibrio simplex Zellner et al. 1990 40:470 Desulfovibrio sulfodismutans Bak and Pfennig 1988 38:136 Desulfovibrio termitidis Trinkerl et al. 1991 41:178 Desulfovibrio thermophilus -> Thermodesulfobacterium thermophilum Desulfovibrio vietnamensis Dang et al. 2002 52:1075 Desulfovibrio vulgaris Postgate and Campbell 1966 30:291 (AL) Desulfovibrio vulgaris subsp. oxamicus -> Desulfovibrio oxamicus Desulfovibrio vulgaris subsp. vulgaris Postgate and Campbell 1966 30:291 (AL) Desulfovibrio zosterae Nielsen et al. 1999 49:864* DESULFOVIRGA Tanaka et al. 2000 50:643* Desulfovirga adipica Tanaka et al. 2000 50:643* DESULFURELLA Bonch-Osmolovskaya et al. 1993 emend. Miroshnichenko et al. 1998 43:624 Desulfurella acetivorans Bonch-Osmolovskaya et al. 1993 43:624 Desulfurella kamchatkensis Miroshnichenko et al. 1998 48:478* Desulfurella multipotens Miroshnichenko et al. 1996 46:625 Desulfurella propionica Miroshnichenko et al. 1998 48:479* DESULFUROBACTERIUM L'Haridon et al. 1998 emend. Alain et al. 2003 48:709* Desulfurobacterium thermolithotrophum L'Haridon et al. 1998 48:709* DESULFUROCOCCUS Zillig and Stetter 1983 emend. Perevalova et al. 2005 33:438 Desulfurococcus amylolyticus Bonch-Osmolovskaya et al. 2001 51:1619 Desulfurococcus fermentans Perevalova et al. 2005 55:998* Desulfurococcus mobilis Zillig and Stetter 1983 33:438 Desulfurococcus mucosus Zillig and Stetter 1983 33:438 DESULFUROLOBUS Zillig and B”ck 1987 37:179 Desulfurolobus ambivalens -> Acidianus ambivalens DESULFUROMONAS Pfennig and Biebl 1977 30:291 (AL) Desulfuromonas acetexigens Finster et al. 1997 47:601 Desulfuromonas acetoxidans Pfennig and Biebl 1977 30:291 (AL) Desulfuromonas chloroethenica Krumholz 1997 47:1263* Desulfuromonas palmitatis Coates et al. 2000 50:1699 Desulfuromonas svalbardensis Vandieken et al. 2006 56:1138* Desulfuromonas thiophila Finster et al. 1997 47:757* DESULFUROMUSA Liesack and Finster 1994 44:756* Desulfuromusa bakii Liesack and Finster 1994 44:757* Desulfuromusa ferrireducens Vandieken et al. 2006 56:1138* Desulfuromusa kysingii Liesack and Finster 1994 44:757* Desulfuromusa succinoxidans Liesack and Finster 1994 44:757* DETHIOSULFOVIBRIO Magot et al. 1997 47:822* Dethiosulfovibrio acidaminovorans Surkov et al. 2001 51:335* Dethiosulfovibrio marinus Surkov et al. 2001 51:335* Dethiosulfovibrio peptidovorans Magot et al. 1997 47:823* Dethiosulfovibrio russensis Surkov et al. 2001 51:335* DEVOSIA Nakagawa et al. 1996 emend. Rivas et al. 2003 46:20* Devosia limi Vanparys et al. 2005 55:1999* Devosia neptuniae Rivas et al. 2003 53:935 Devosia riboflavina (ex Foster 1944) Nakagawa et al. 1996 46:20* DIALISTER (ex Bergey et al. 1923) Moore and Moore 1994 emend. Jumas-Bilak 2005 44:191* Dialister invisus Downes et al. 2003 53:1940* Dialister micraerophilus Jumas-Bilak et al. 2005 55:2477* Dialister pneumosintes (Olitsky and Gates 1921) Moore and Moore 1994 emend. Downes et al. 2003 emend. Jumas-Bilak et al. 2005 44:191* Dialister propionicifaciens Jumas-Bilak et al. 2005 55:2477* DIAPHOROBACTER Khan and Hiraishi 2003 53:936 Diaphorobacter nitroreducens Khan and Hiraishi 2003 53:936 DICHELOBACTER Dewhirst et al. 1990 40:430* Dichelobacter nodosus (Beveridge 1941) Dewhirst et al. 1990 40:431* DICHOTOMICROBIUM Hirsch and Hoffmann 1989 39:495 Dichotomicrobium thermohalophilum Hirsch and Hoffmann 1989 39:495 DICKEYA Samson et al. 2005 55:1423* Dickeya chrysanthemi (Burkholder et al. 1953) Samson et al. 2005 55:1424* Dickeya dadantii Samson et al. 2005 55:1424* Dickeya dianthicola Samson et al. 2005 55:1425* Dickeya dieffenbachiae Samson et al. 2005 55:1425* Dickeya paradisiaca (Fernandez-Borrero and Lopez-Duque 1970) Samson et al. 2005 55:1425* Dickeya zeae Samson et al. 2005 55:1425* DICTYOGLOMUS Saiki et al. 1985 35:256* Dictyoglomus thermophilum Saiki et al. 1985 35:256* Dictyoglomus turgidum Svetlichny and Svetlichnay… 1995 (corrig.) 45:879 Dictyoglomus turgidus see: Dictyoglomus turgidum DIETZIA Rainey et al. 1995 45:33* Dietzia cinnamea Yassin et al. 2006 56:644* Dietzia kunjamensis Mayilraj et al. 2006 56:1670* Dietzia maris (Nesterenko et al. 1982) Rainey et al. 1995 45:35* Dietzia natronolimnaea Duckworth et al. 1999 49:1 Dietzia psychralcaliphila Yumoto et al. 2002 52:89* DINOROSEOBACTER Biebl et al. 2005 55:1095* Dinoroseobacter shibae Biebl et al. 2005 55:1095* DIPLOCALYX (ex Gharagozlou 1968) Bermudes et al. 1988 38:295* Diplocalyx calotermitidis (ex Gharagozlou 1968) Bermudes et al. 1988 38:295* DOKDONELLA Yoon et al. 2006 56:149* Dokdonella fugitiva Cunha et al. 2006 56:1459* Dokdonella koreensis Yoon et al. 2006 56:149* DOKDONIA Yoon et al. 2005 55:2326* Dokdonia donghaensis Yoon et al. 2005 55:2327* DOLOSICOCCUS Collins et al. 1999 49:1441* Dolosicoccus paucivorans Collins et al. 1999 49:1442* DOLOSIGRANULUM Aguirre et al. 1994 44:370 Dolosigranulum pigrum Aguirre et al. 1994 44:370 DONGHAEANA Yoon et al. 2006 56:190* Donghaeana dokdonensis Yoon et al. 2006 56:190* DOREA Taras et al. 2002 52:426* Dorea formicigenerans (Holdeman and Moore 1974) Taras et al. 2002 52:426* Dorea longicatena Taras et al. 2002 52:427* DUGANELLA Hiraishi et al. 1997 47:1251* Duganella violaceinigra Li et al. 2004 54:1813* Duganella zoogloeoides Hiraishi et al. 1997 47:1251* DYADOBACTER Chelius and Triplett 2000 emend. Reddy and Garcia-Pichel 2005 50:755* Dyadobacter crusticola Reddy and Garcia-Pichel 2005 55:1298* Dyadobacter fermentans Chelius and Triplett 2000 50:756* Dyadobacter ginsengisoli Liu et al. 2006 56:1942* Dyadobacter hamtensis Chaturvedi et al. 2005 55:2116* DYELLA Xie and Yokota 2005 55:756* Dyella japonica Xie and Yokota 2005 55:756* Dyella koreensis An et al. 2005 55:1628* Dyella yeojuensis Kim et al. 2006 56:2081* DYSGONOMONAS Hofstad et al. 2000 50:2194* Dysgonomonas capnocytophagoides Hofstad et al. 2000 50:2194* Dysgonomonas gadei Hofstad et al. 2000 50:2194* Dysgonomonas mossii Lawson et al. 2002 52:1915 ECHINICOLA Nedashkovskaya et al. 2006 56:955* Echinicola pacifica Nedashkovskaya et al. 2006 56:955* ECTOTHIORHODOSPIRA Pelsh 1936 30:291 (AL) Ectothiorhodospira abdelmalekii -> Halorhodospira abdelmalekii Ectothiorhodospira haloalkaliphila Imhoff and Sling 1997 47:915 Ectothiorhodospira halochloris -> Halorhodospira halochloris Ectothiorhodospira halophila -> Halorhodospira halophila Ectothiorhodospira marina Imhoff and Sling 1997 47:915 Ectothiorhodospira marismortui => Ectothiorhodospira mobilis Ectothiorhodospira mobilis Pelsh 1936 emend. Ventura et al. 2000 30:291 (AL) Ectothiorhodospira shaposhnikovii Cherni et al. 1969 emend. Ventura et al. 2000 30:291 (AL) Ectothiorhodospira vacuolata => Ectothiorhodospira shaposhnikovii EDWARDSIELLA Ewing and McWhorter 1965 30:292 (AL) Edwardsiella anguillimortifera (Hoshina 1962) Sakazaki and Tamura 1975 30:292 (AL) Edwardsiella hoshinae Grimont et al. 1981 31:216 Edwardsiella ictaluri Hawke et al. 1981 31:400* Edwardsiella tarda Ewing and McWhorter 1965 30:292 (AL) EFFLUVIIBACTER Suresh et al. 2006 56:1706* Effluviibacter roseus Suresh et al. 2006 56:1706* EGGERTHELLA Wade et al. 1999 49:599* Eggerthella hongkongensis Lau et al. 2006 56:2025 Eggerthella lenta (Eggerth 1935) Wade et al. 1999 49:599* Eggerthella sinensis Lau et al. 2006 56:2025 EHRLICHIA Moshkovski 1945 emend. Dumler et al. 2001 30:292 (AL) Ehrlichia canis (Donatien and Lestoquard 1935) Moshkovski 1945 emend. Dumler et al. 2001 30:292 (AL) Ehrlichia chaffeensis Anderson et al. 1992 emend. Dumler et al. 2001 42:327 Ehrlichia equi => Anaplasma phagocytophilum Ehrlichia ewingii Anderson et al. 1992 emend. Dumler et al. 2001 42:301* Ehrlichia muris Wen et al. 1995 emend. Dumler et al. 2001 45:254* Ehrlichia phagocytophila -> Anaplasma phagocytophilum Ehrlichia risticii -> Neorickettsia risticii Ehrlichia ruminantium (Cowdry 1925) Dumler et al. 2001 51:2158* Ehrlichia sennetsu -> Neorickettsia sennetsu EIKENELLA Jackson and Goodman 1972 30:292 (AL) Eikenella corrodens (Eiken 1958) Jackson and Goodman 1972 30:292 (AL) ELIZABETHKINGIA Kim et al. 2005 55:1291* Elizabethkingia meningoseptica (King 1959) Kim et al. 2005 55:1292* Elizabethkingia miricola (Li et al. 2004) Kim et al. 2005 55:1292* ELYTROSPORANGIUM -> STREPTOMYCES Elytrosporangium brasiliense -> Streptomyces brasiliensis Elytrosporangium carpinense -> Streptomyces carpinensis Elytrosporangium spirale -> Streptomyces spiralis EMPEDOBACTER (ex Pr‚vot 1961) Vandamme et al. 1994 44:830* Empedobacter brevis (Holmes and Owen 1982) Vandamme et al. 1994 44:830* EMTICICIA Saha and Chakrabarti 2006 56:993* Emticicia oligotrophica Saha and Chakrabarti 2006 56:993* ENHYDROBACTER Staley et al. 1987 37:289* Enhydrobacter aerosaccus Staley et al. 1987 37:289* ENHYGROMYXA Iizuka et al. 2003 53:1219 Enhygromyxa salina Iizuka et al. 2003 53:1219 ENSIFER Casida 1982 emend. Young 2003 32:343* Ensifer adhaerens Casida 1982 32:343* Ensifer arboris (Nick et al. 1999) Young 2003 53:2109* Ensifer fredii (Scholla and Elkan 1984) Young 2003 53:2109* Ensifer kostiensis (Nick et al. 1999) Young 2003 53:2109* Ensifer kummerowiae (Wei et al. 2002) Young 2003 53:2109* Ensifer medicae (Rome et al. 1996) Young 2003 53:2109* Ensifer meliloti (Dangeard 1926) Young 2003 53:2109* Ensifer saheli (De Lajudie et al. 1994) Young 2003 53:2109* Ensifer terangae (De Lajudie et al. 1994) Young 2003 53:2109* Ensifer xinjiangensis (Chen et al. 1988) Young 2003 53:2109* ENTEROBACTER Hormaeche and Edwards 1960 30:293 (AL) Enterobacter aerogenes Hormaeche and Edwards 1960 30:293 (AL) Enterobacter agglomerans -> Pantoea agglomerans Enterobacter amnigenus Izard et al. 1981 31:37* Enterobacter asburiae Brenner et al. 1988 emend. Hoffmann et al. 2005 38:220 Enterobacter cancerogenus (Urosevic 1966) Dickey and Zumoff 1988 38:371* Enterobacter cloacae see: Enterobacter cloacae subsp. cloacae Enterobacter cloacae subsp. cloacae (Jordan 1890) Hormaeche and Edwards 1960 55:1395 Enterobacter cloacae subsp. dissolvens (Rosen 1922) Hoffmann et al. 2005 55:1396 Enterobacter cowanii Inoue et al. 2001 51:1619 Enterobacter dissolvens -> Enterobacter cloacae subsp. dissolvens Enterobacter gergoviae Brenner et al. 1980 30:5* Enterobacter hormaechei O'Hara et al. 1990 40:105 Enterobacter intermedium see: Kluyvera intermedia Enterobacter intermedius -> Kluyvera intermedia Enterobacter kobei Kosako et al. 1997 emend. Hoffmann et al. 2005 47:915 Enterobacter ludwigii Hoffmann et al. 2005 55:2236 Enterobacter nimipressuralis (Carter 1945) Brenner et al. 1988 38:220 Enterobacter pyrinus Chung et al. 1993 43:161* Enterobacter radicincitans K„mpfer et al. 2005 55:1396 Enterobacter sakazakii Farmer et al. 1980 30:575* Enterobacter taylorae => Enterobacter cancerogenus ENTEROCOCCUS (ex Thiercelin and Jouhaud 1903) Schleifer and Kilpper-B„lz 1984 34:32* Enterococcus aquimarinus Svec et al. 2005 55:2186* Enterococcus asini de Vaux et al. 1998 48:386* Enterococcus avium (ex Nowlan and Deibel 1967) Collins et al. 1984 34:220* Enterococcus caccae Carvalho et al. 2006 56:1507* Enterococcus canintestini Naser et al. 2005 55:2182* Enterococcus canis De Graef et al. 2003 53:1073* Enterococcus casseliflavus (ex Vaughn et al. 1979) Collins et al. 1984 34:221* Enterococcus cecorum (Devriese et al. 1983) Williams et al. 1989 39:495 Enterococcus columbae Devriese et al. 1993 43:188 Enterococcus devriesei Svec et al. 2005 55:2483* Enterococcus dispar Collins et al. 1991 41:456 Enterococcus durans (ex Sherman and Wing 1937) Collins et al. 1984 34:222* Enterococcus faecalis (Andrewes and Horder 1906) Schleifer and Kilpper-B„lz 1984 34:33* Enterococcus faecium (Orla-Jensen 1919) Schleifer and Kilpper-B„lz 1984 34:33* Enterococcus flavescens => Enterococcus casseliflavus Enterococcus gallinarum (Bridge and Sneath 1982) Collins et al. 1984 34:222* Enterococcus gilvus Tyrrell et al. 2002 52:1075 Enterococcus haemoperoxidus Svec et al. 2001 51:1571* Enterococcus hermanniensis Koort et al. 2004 54:1826* Enterococcus hirae Farrow and Collins 1985 35:73* Enterococcus italicus Fortina et al. 2004 54:1720* Enterococcus malodoratus (ex Pette 1955) Collins et al. 1984 34:222* Enterococcus moraviensis Svec et al. 2001 51:1572* Enterococcus mundtii Collins et al. 1986 36:8* Enterococcus pallens Tyrrell et al. 2002 52:1075 Enterococcus phoeniculicola Law-Brown and Meyers 2003 53:685* Enterococcus porcinus => Enterococcus villorum Enterococcus pseudoavium Collins et al. 1989 39:371 Enterococcus raffinosus Collins et al. 1989 39:371 Enterococcus ratti Teixeira et al. 2001 51:1742* Enterococcus saccharolyticus (Farrow et al. 1985) Rodrigues and Collins 1991 41:178 Enterococcus saccharominimus => Enterococcus italicus Enterococcus seriolicida => Lactococcus garvieae Enterococcus silesiacus Svec et al. 2006 56:580* Enterococcus solitarius -> Tetragenococcus solitarius Enterococcus sulfureus Martinez-Murcia and Collins 1991 41:580 Enterococcus termitis Svec et al. 2006 56:580* Enterococcus villorum Vancanneyt et al. 2001 51:398* ENTEROVIBRIO Thompson et al. 2002 52:2019* Enterovibrio coralii Thompson et al. 2005 55:917* Enterovibrio norvegicus Thompson et al. 2002 52:2019* ENTOMOPLASMA Tully et al. 1993 43:379* Entomoplasma ellychniae (Tully et al. 1989) Tully et al. 1993 43:379* Entomoplasma freundtii Tully et al. 1998 48:1203* Entomoplasma lucivorax (Williamson et al. 1990) Tully et al. 1993 43:379* Entomoplasma luminosum (Williamson et al. 1990) Tully et al. 1993 43:379* Entomoplasma melaleucae (Tully et al. 1990) Tully et al. 1993 43:379* Entomoplasma somnilux (Williamson et al. 1990) Tully et al. 1993 43:379* EPERYTHROZOON Schilling 1928 30:293 (AL) Eperythrozoon coccoides -> Mycoplasma coccoides Eperythrozoon ovis -> Mycoplasma ovis Eperythrozoon parvum Splitter 1950 30:293 (AL) Eperythrozoon suis -> Mycoplasma suis Eperythrozoon wenyonii -> Mycoplasma wenyonii EPILITHONIMONAS O'Sullivan et al. 2006 56:177* Epilithonimonas tenax O'Sullivan et al. 2006 56:177* EREMOCOCCUS Collins et al. 1999 49:1383* Eremococcus coleocola Collins et al. 1999 49:1383* ERWINIA Winslow et al. 1920 emend. Hauben et al. 1998 30:293 (AL) Erwinia alni -> Brenneria alni Erwinia amylovora (Burrill 1882) Winslow et al. 1920 emend. Hauben et al. 1998 30:293 (AL) Erwinia ananatis (corrig.) -> Pantoea ananatis Erwinia ananatis see: Erwinia ananatis Erwinia aphidicola Harada et al. 1998 48:1083 Erwinia billingiae Mergaert et al. 1999 49:382* Erwinia cacticida -> Pectobacterium cacticida Erwinia cancerogena -> Enterobacter cancerogenus Erwinia carnegieana Standring 1942 30:294 (AL) Erwinia carotovora -> Pectobacterium carotovorum Erwinia carotovora subsp. atroseptica -> Pectobacterium atrosepticum Erwinia carotovora subsp. betavasculorum -> Pectobacterium betavasculorum Erwinia carotovora subsp. carotovora -> Pectobacterium carotovorum subsp. carotovorum Erwinia carotovora subsp. odorifera -> Pectobacterium carotovorum subsp. odoriferum Erwinia carotovora subsp. wasabiae -> Pectobacterium wasabiae Erwinia chrysanthemi = Dickeya chrysanthemi Erwinia cypripedii = Pectobacterium cypripedii Erwinia dissolvens -> Enterobacter cloacae subsp. dissolvens Erwinia herbicola => Pantoea agglomerans Erwinia mallotivora Goto 1976 emend. Hauben et al. 1998 30:294 (AL) Erwinia milletiae => Pantoea agglomerans Erwinia nigrifluens -> Brenneria nigrifluens Erwinia nimipressuralis -> Enterobacter nimipressuralis Erwinia papayae Gardan et al. 2004 53:112* Erwinia paradisiaca -> Dickeya paradisiaca Erwinia persicina Hao et al. 1990 (corrig.) 40:382* Erwinia persicinus see: Erwinia persicina Erwinia psidii Neto et al. 1988 38:328 Erwinia pyrifoliae Kim et al. 1999 49:905* Erwinia quercina -> Brenneria quercina Erwinia rhapontici (Millard 1924) Burkholder 1948 emend. Hauben et al. 1998 30:295 (AL) Erwinia rubrifaciens -> Brenneria rubrifaciens Erwinia salicis -> Brenneria salicis Erwinia stewartii -> Pantoea stewartii subsp. stewartii Erwinia toletana Rojas et al. 2004 54:2221* Erwinia tracheiphila (Smith 1895) Bergey et al. 1923 emend. Hauben et al. 1998 30:295 (AL) Erwinia uredovora => Pantoea ananatis ERYSIPELOTHRIX Rosenbach 1909 30:295 (AL) Erysipelothrix inopinata Verbarg et al. 2004 54:225* Erysipelothrix rhusiopathiae (Migula 1900) Buchanan 1918 30:295 (AL) Erysipelothrix tonsillarum Takahashi et al. 1987 37:166* ERYTHROBACTER Shiba and Simidu 1982 32:215* Erythrobacter aquimaris Yoon et al. 2004 54:1984* Erythrobacter citreus Denner et al. 2002 52:1659* Erythrobacter flavus Yoon et al. 2003 53:1173* Erythrobacter gaetbuli Yoon et al. 2005 55:75* Erythrobacter litoralis Yurkov et al. 1994 44:432* Erythrobacter longus Shiba and Simidu 1982 32:216* Erythrobacter luteolus Yoon et al. 2005 55:1170* Erythrobacter seohaensis Yoon et al. 2005 55:74* Erythrobacter vulgaris Ivanova et al. 2006 56:499 ERYTHROMICROBIUM Yurkov et al. 1994 44:432* Erythromicrobium ramosum Yurkov et al. 1994 44:432* ERYTHROMONAS -> SPHINGOMONAS Erythromonas ursincola -> Sphingomonas ursincola ESCHERICHIA Castellani and Chalmers 1919 30:295 (AL) Escherichia adecarboxylata -> Leclercia adecarboxylata Escherichia albertii Huys et al. 2003 53:810* Escherichia blattae Burgess et al. 1973 30:295 (AL) Escherichia coli (Migula 1895) Castellani and Chalmers 1919 30:296 (AL) Escherichia fergusonii Farmer et al. 1985 35:223 Escherichia hermannii Brenner et al. 1983 33:438 Escherichia vulneris Brenner et al. 1983 33:438 ETHANOLIGENENS Xing et al. 2006 56:752* Ethanoligenens harbinense Xing et al. 2006 56:753* EUBACTERIUM Prevot 1938 30:296 (AL) Eubacterium acidaminophilum Zindel et al. 1989 39:93 Eubacterium aerofaciens -> Collinsella aerofaciens Eubacterium aggregans Mechichi et al. 2000 50:1699 Eubacterium alactolyticum -> Pseudoramibacter alactolyticus Eubacterium angustum Beuscher and Andreesen 1985 35:535 Eubacterium barkeri (Stadtman et al. 1972) Collins et al. 1994 44:824* Eubacterium biforme (Eggerth 1935) Prevot 1938 30:296 (AL) Eubacterium brachy Holdeman et al. 1980 30:164* Eubacterium budayi (Le Blaye and Guggenheim 1914) Holdeman and Moore 1970 30:296 (AL) Eubacterium callanderi Mountfort et al. 1988 38:254* Eubacterium cellulosolvens (Bryant et al. 1958) Holdeman and Moore 1972 30:296 (AL) Eubacterium combesii (Prevot and Laplanche 1947) Holdeman and Moore 1970 30:296 (AL) Eubacterium contortum (Prevot 1947) Holdeman et al. 1971 30:297 (AL) Eubacterium coprostanoligenes Freier et al. 1994 44:141* Eubacterium cylindroides (Rocchi 1908) Holdeman and Moore 1970 30:297 (AL) Eubacterium desmolans Morris et al. 1986 36:183* Eubacterium dolichum Moore et al. 1976 30:297 (AL) Eubacterium eligens Holdeman and Moore 1974 30:297 (AL) Eubacterium exiguum -> Slackia exigua Eubacterium fissicatena Taylor 1972 30:297 (AL) Eubacterium formicigenerans -> Dorea formicigenerans Eubacterium fossor -> Atopobium fossor Eubacterium hadrum Moore et al. 1976 30:297 (AL) Eubacterium hallii Holdeman and Moore 1974 30:297 (AL) Eubacterium infirmum Cheeseman et al. 1996 46:958* Eubacterium lentum -> Eggerthella lenta Eubacterium limosum (Eggerth 1935) Prevot 1938 30:297 (AL) Eubacterium minutum Poco et al. 1996 emend. Wade et al. 1999 46:33* Eubacterium moniliforme (Repaci 1910) Holdeman and Moore 1970 30:297 (AL) Eubacterium multiforme (Distaso 1911) Holdeman and Moore 1970 30:298 (AL) Eubacterium nitritogenes Prevot 1940 30:298 (AL) Eubacterium nodatum Holdeman et al. 1980 30:164* Eubacterium oxidoreducans see: Eubacterium oxidoreducens Eubacterium oxidoreducens Krumholz and Bryant 1986 36:489 Eubacterium plautii (Seguin 1928) Hofstad and Aasjord 1982 32:346* Eubacterium plexicaudatum Wilkins et al. 1974 30:298 (AL) Eubacterium pyruvativorans Wallace et al. 2003 53:969* Eubacterium ramulus Moore et al. 1976 30:298 (AL) Eubacterium rectale (Hauduroy et al. 1937) Prevot 1938 30:298 (AL) Eubacterium ruminantium Bryant 1959 30:298 (AL) Eubacterium saburreum (Prevot 1966) Holdeman and Moore 1970 30:298 (AL) Eubacterium saphenum Uematsu et al. 1993 43:303* Eubacterium siraeum Moore et al. 1976 30:298 (AL) Eubacterium suis -> Actinobaculum suis Eubacterium sulci (Cato et al. 1985) Jalava and Eerola 1999 49:1378* Eubacterium tarantellae Udey et al. 1977 (corrig.) 30:298 (AL) Eubacterium tardum => Eubacterium minutum Eubacterium tenue (Bergey et al. 1923) Holdeman and Moore 1970 30:299 (AL) Eubacterium timidum -> Mogibacterium timidum Eubacterium tortuosum (Debono 1912) Prevot 1938 30:299 (AL) Eubacterium uniforme van Gylswyk and van der Toorn 1985 35:323* Eubacterium ventriosum (Tissier 1908) Prevot 1938 30:299 (AL) Eubacterium xylanophilum van Gylswyk and van der Toorn 1985 35:323* Eubacterium yurii Margaret and Krywolap 1986 36:145* Eubacterium yurii subsp. margaretiae Margaret and Krywolap 1986 36:145* Eubacterium yurii subsp. schtitka Margaret and Krywolap 1988 38:207* Eubacterium yurii subsp. yurii Margaret and Krywolap 1986 36:145* EWINGELLA Grimont et al. 1984 34:91 Ewingella americana Grimont et al. 1984 34:91 EXCELLOSPORA => ACTINOMADURA Excellospora viridilutea -> Actinomadura viridilutea EXIGUOBACTERIUM Collins et al. 1984 34:91 Exiguobacterium acetylicum (Levine and Soppeland 1926) Farrow et al. 1994 44:81* Exiguobacterium aestuarii Kim et al. 2005 55:888* Exiguobacterium antarcticum Frhling et al. 2002 52:1175* Exiguobacterium artemiae L¢pez-Cort‚s et al. 2006 56:1459* Exiguobacterium aurantiacum Collins et al. 1984 34:91 Exiguobacterium marinum Kim et al. 2005 55:889* Exiguobacterium mexicanum L¢pez-Cort‚s et al. 2006 56:1459* Exiguobacterium oxidotolerans Yumoto et al. 2004 54:2016* Exiguobacterium undae Frhling et al. 2002 52:1173* FABIBACTER Lau et al. 2006 56:1062* Fabibacter halotolerans Lau et al. 2006 56:1062* FACKLAMIA Collins et al. 1997 47:882* Facklamia hominis Collins et al. 1997 47:882* Facklamia ignava Collins et al. 1998 48:1083 Facklamia languida Lawson et al. 1999 49:935 Facklamia miroungae Hoyles et al. 2001 51:1403* Facklamia sourekii Collins et al. 1999 49:637* Facklamia tabacinasalis Collins et al. 1999 49:1249* FAECALIBACTERIUM Duncan et al. 2002 52:2145* Faecalibacterium prausnitzii (Hauduroy et al. 1937) Duncan et al. 2002 52:2145* FAENIA -> SACCHAROPOLYSPORA Faenia rectivirgula -> Saccharopolyspora rectivirgula FALCIVIBRIO => MOBILUNCUS Falcivibrio grandis => Mobiluncus mulieris Falcivibrio vaginalis => Mobiluncus curtisii FASTIDIOSIPILA Falsen et al. 2005 55:856* Fastidiosipila sanguinis Falsen et al. 2005 55:857* FERRIBACTERIUM Cummings et al. 2000 50:1953 Ferribacterium limneticum Cummings et al. 2000 50:1953 FERRIMONAS Rossell¢-Mora et al. 1996 46:362 Ferrimonas balearica Rossell¢-Mora et al. 1996 46:362 Ferrimonas marina Katsuta et al. 2005 55:1854* FERROGLOBUS Hafenbradl et al. 1997 47:601 Ferroglobus placidus Hafenbradl et al. 1997 47:601 FERROPLASMA Golyshina et al. 2000 50:1004* Ferroplasma acidiphilum Golyshina et al. 2000 50:1005* FERVIDOBACTERIUM Patel et al. 1985 35:535 Fervidobacterium gondwanense Andrews and Patel 1996 46:268* Fervidobacterium islandicum Huber et al. 1991 41:178 Fervidobacterium nodosum Patel et al. 1985 35:535 Fervidobacterium pennivorans Friedrich and Antranikian 1999 49:1 FIBROBACTER Montgomery et al. 1988 38:434* Fibrobacter intestinalis Montgomery et al. 1988 38:434* Fibrobacter succinogenes (Hungate 1950) Montgomery et al. 1988 38:434* Fibrobacter succinogenes subsp. elongata see: Fibrobacter succinogenes subsp. elongatus Fibrobacter succinogenes subsp. elongatus Montgomery et al. 1988 (corrig.) 38:434* Fibrobacter succinogenes subsp. succinogenes (Hungate 1950) Montgomery et al. 1988 38:434* FILIBACTER Maiden and Jones 1985 35:375 Filibacter limicola Maiden and Jones 1985 35:375 FILIFACTOR Collins et al. 1994 44:822* Filifactor alocis (Cato et al. 1985) Jalava and Eerola 1999 49:1378* Filifactor villosus (Love et al. 1979) Collins et al. 1994 44:822* FILOBACILLUS Schlesner et al. 2001 51:430* Filobacillus milensis see: Filobacillus milosensis Filobacillus milosensis Schlesner et al. 2001 (corrig.) 51:430* FILOMICROBIUM Schlesner 1988 38:220 Filomicrobium fusiforme Schlesner 1988 38:220 FINEGOLDIA Murdoch and Shah 2000 50:1415 Finegoldia magna (Prevot 1933) Murdoch and Shah 2000 50:1415 FLAMMEOVIRGA Nakagawa et al. 1997 emend. Takahashi et al. 2006 47:221* Flammeovirga aprica (Reichenbach 1989) Nakagawa et al. 1997 emend. Takahashi et al. 2006 47:221* Flammeovirga arenaria (ex Lewin 1969) Takahashi et al. 2006 56:2099* Flammeovirga yaeyamensis Takahashi et al. 2006 56:2099* FLAVIMONAS => PSEUDOMONAS Flavimonas oryzihabitans (Kodama et al. 1985) Holmes et al. 1987 37:245* FLAVIRAMULUS Einen and Ovreas 2006 56:2460* Flaviramulus basaltis Einen and Ovreas 2006 56:2460* FLAVOBACTERIUM Bergey et al. 1923 emend. Bernardet et al. 1996 30:299 (AL) Flavobacterium acidificum Steinhaus 1941 30:299 (AL) Flavobacterium acidurans Millar 1973 30:299 (AL) Flavobacterium antarcticum Yi et al. 2005 55:640* Flavobacterium aquatile (Frankland and Frankland 1889) Bergey et al. 1923 emend. Bernardet et al. 1996 30:299 (AL) Flavobacterium balustinum -> Chryseobacterium balustinum Flavobacterium branchiophila see: Flavobacterium branchiophilum Flavobacterium branchiophilum Wakabayashi et al. 1989 emend. Bernardet et al. 1996 39:213* Flavobacterium breve -> Empedobacter brevis Flavobacterium capsulatum -> Novosphingobium capsulatum Flavobacterium columnare (Bernardet and Grimont 1989) Bernardet et al. 1996 46:140* Flavobacterium croceum Park et al. 2006 56:2445* Flavobacterium daejeonense Kim et al. 2006 56:1647* Flavobacterium degerlachei Van Trappen et al. 2004 54:89* Flavobacterium denitrificans Horn et al. 2005 55:1263* Flavobacterium devorans => Sphingomonas paucimobilis Flavobacterium esteraromaticum -> Microbacterium esteraromaticum Flavobacterium ferrugineum -> Terrimonas ferruginea Flavobacterium flevense (van der Meulen et al. 1974) Bernardet et al. 1996 46:141* Flavobacterium frigidarium Humphry et al. 2001 51:1242* Flavobacterium frigidimaris Nogi et al. 2005 55:1743 Flavobacterium frigoris Van Trappen et al. 2004 54:91* Flavobacterium fryxellicola Van Trappen et al. 2005 55:771* Flavobacterium gelidilacus Van Trappen et al. 2003 53:1244* Flavobacterium gillisiae McCammon and Bowman 2000 50:1059* Flavobacterium gleum -> Chryseobacterium gleum Flavobacterium gondwanense -> Psychroflexus gondwanensis Flavobacterium granuli Aslam et al. 2005 55:750* Flavobacterium halmephilium see: Flavobacterium halmophilum Flavobacterium halmophilum (corrig.) -> Halomonas halmophila Flavobacterium heparinum -> Pedobacter heparinus Flavobacterium hibernum McCammon et al. 1998 48:1411* Flavobacterium hydatis Bernardet et al. 1996 46:141* Flavobacterium indologenes -> Chryseobacterium indologenes Flavobacterium indoltheticum -> Chryseobacterium indoltheticum Flavobacterium johnsoniae (Stanier 1947) Bernardet et al. 1996 46:141* Flavobacterium limicola Tamaki et al. 2003 53:525* Flavobacterium marinotypicum -> Microbacterium maritypicum Flavobacterium meningosepticum -> Elizabethkingia meningoseptica Flavobacterium micromati Van Trappen et al. 2004 54:90* Flavobacterium mizutaii (Yabuuchi et al. 1983) Holmes et al. 1988 38:348* Flavobacterium multivorum -> Sphingobacterium multivorum Flavobacterium oceanosedimentum Carty and Litchfield 1978 30:300 (AL) Flavobacterium odoratum -> Myroides odoratus Flavobacterium okeanokoites -> Planomicrobium okeanokoites Flavobacterium omnivorum Zhu et al. 2003 53:857* Flavobacterium pectinovorum (Reichenbach 1989) Bernardet et al. 1996 46:141* Flavobacterium psychrolimnae Van Trappen et al. 2005 55:772* Flavobacterium psychrophilum (Bernardet and Grimont 1989) Bernardet et al. 1996 46:142* Flavobacterium resinovorum Delaporte and Daste 1956 30:300 (AL) Flavobacterium saccharophilum (Reichenbach 1989) Bernardet et al. 1996 46:142* Flavobacterium salegens -> Salegentibacter salegens Flavobacterium saliperosum Wang et al. 2006 56:442* Flavobacterium scophthalmum -> Chryseobacterium scophthalmum Flavobacterium segetis Yi and Chun 2006 56:1243* Flavobacterium soli Yoon et al. 2006 56:999* Flavobacterium spiritivorum -> Sphingobacterium spiritivorum Flavobacterium succinicans (Reichenbach 1989) Bernardet et al. 1996 46:142* Flavobacterium suncheonense Kim et al. 2006 56:1648* Flavobacterium tegetincola McCammon and Bowman 2000 50:1060* Flavobacterium thalpophilum -> Sphingobacterium thalpophilum Flavobacterium thermophilum Loginova and Egorova 1982 32:266 Flavobacterium uliginosum -> Zobellia uliginosa Flavobacterium weaverense Yi and Chun 2006 56:1242* Flavobacterium xanthum (ex Inoue and Komagata 1976) McCammon and Bowman 2000 50:1060* Flavobacterium xinjiangense Zhu et al. 2003 53:857* Flavobacterium yabuuchiae => Sphingobacterium spiritivorum FLECTOBACILLUS Larkin et al. 1977 emend. Raj and Maloy 1990 30:300 (AL) Flectobacillus glomeratus -> Polaribacter glomeratus Flectobacillus lacus Hwang and Cho 2006 56:1200* Flectobacillus major (Gromov 1963) Larkin et al. 1977 30:301 (AL) Flectobacillus marinus -> Cyclobacterium marinum FLEXIBACTER Soriano 1945 30:301 (AL) Flexibacter aggregans (Lewin 1969) Leadbetter 1974 30:391 (AL) Flexibacter aurantiacus Lewin 1969 30:301 (AL) Flexibacter canadensis Christensen 1980 30:431* Flexibacter columnaris -> Flavobacterium columnare Flexibacter elegans (ex Lewin 1969, non Soriano 1945) Reichenbach 1989 39:495 Flexibacter filiformis -> Chitinophaga filiformis Flexibacter flexilis Soriano 1945 30:301 (AL) Flexibacter japonensis -> Chitinophaga japonensis Flexibacter litoralis Lewin 1969 30:301 (AL) Flexibacter maritimus -> Tenacibaculum maritimum Flexibacter ovolyticus -> Tenacibaculum ovolyticum Flexibacter polymorphus Lewin 1974 30:301 (AL) Flexibacter psychrophilus -> Flavobacterium psychrophilum Flexibacter roseolus Lewin 1969 30:301 (AL) Flexibacter ruber Lewin 1969 30:301 (AL) Flexibacter sancti -> Chitinophaga sancti Flexibacter tractuosus (Lewin 1969) Leadbetter 1974 30:301 (AL) FLEXISTIPES Fiala et al. 2000 50:1415 Flexistipes sinusarabici Fiala et al. 2000 50:1415 FLEXITHRIX Lewin 1970 30:301 (AL) Flexithrix dorotheae Lewin 1970 30:301 (AL) FLUORIBACTER Garrity et al. 1980 30:612* Fluoribacter bozemanae Garrity et al. 1980 30:612* Fluoribacter dumoffii (Brenner et al. 1980) Brown et al. 1981 31:114* Fluoribacter gormanii (Morris et al. 1980) Brown et al. 1981 31:114* FLUVIICOLA O'Sullivan et al. 2005 55:2193* Fluviicola taffensis O'Sullivan et al. 2005 55:2193* FORMIVIBRIO Tanaka et al. 1991 41:580 Formivibrio citricus Tanaka et al. 1991 41:580 FORMOSA Ivanova et al. 2004 emend. Nedashkovskaya et al. 2006 54:707* Formosa agariphila Nedashkovskaya et al. 2006 56:166* Formosa algae Ivanova et al. 2004 emend. Nedashkovskaya et al. 2006 54:710* FRANCISELLA Dorofeev 1947 30:301 (AL) Francisella novicida (Larson et al. 1955) Olsufiev et al. 1959 30:301 (AL) Francisella philomiragia (Jensen et al. 1969) Hollis et al. 1990 40:105 Francisella tularensis (McCoy and Chapin 1912) Dorofeev 1947 30:301 (AL) Francisella tularensis subsp. holarctica (ex Olsufjev et al. 1959) Olsufjev and Meshcheryakova 1983 33:873* Francisella tularensis subsp. mediasiatica (ex Aikimbaev 1966) Olsufjev and Meshcheryakova 1983 33:874* Francisella tularensis subsp. tularensis (McCoy and Chapin 1912) Dorofeev 1947 33:873* FRANKIA Brunchorst 1886 30:302 (AL) Frankia alni (Woronin 1866) Von Tubeuf 1895 30:302 (AL) FRATEURIA Swings et al. 1980 30:555* Frateuria aurantia (ex Kond“ and Ameyama 1958) Swings et al. 1980 30:555* FRIEDMANNIELLA Schumann et al. 1997 47:282* Friedmanniella antarctica Schumann et al. 1997 47:282* Friedmanniella capsulata Maszenan et al. 1999 49:1678* Friedmanniella lacustris Lawson et al. 2000 50:1953 Friedmanniella spumicola Maszenan et al. 1999 49:1678* FRIGORIBACTERIUM K„mpfer et al. 2000 50:362* Frigoribacterium faeni K„mpfer et al. 2000 50:362* FULVIMARINA Cho and Giovannoni 2003 53:1857* Fulvimarina pelagi Cho and Giovannoni 2003 53:1858* FULVIMONAS Mergaert et al. 2002 52:1288* Fulvimonas soli Mergaert et al. 2002 52:1289* FUNDIBACTER => ALCANIVORAX Fundibacter jadensis -> Alcanivorax jadensis FUSIBACTER Ravot et al. 1999 49:1145* Fusibacter paucivorans Ravot et al. 1999 49:1145* FUSOBACTERIUM Knorr 1922 30:302 (AL) Fusobacterium alocis -> Filifactor alocis Fusobacterium canifelinum Conrads et al. 2004 54:1909 Fusobacterium equinum Dorsch et al. 2001 51:1962* Fusobacterium gonidiaformans (Tunnicliff and Jackson 1925) Moore and Holdeman 1970 30:302 (AL) Fusobacterium mortiferum (Harris 1901) Moore and Holdeman 1970 30:302 (AL) Fusobacterium naviforme (Jungano 1909) Moore and Holdeman 1970 30:302 (AL) Fusobacterium necrogenes (Weinberg et al. 1937) Moore and Holdeman 1970 30:302 (AL) Fusobacterium necrophorum (Flgge 1886) Moore and Holdeman 1969 30:302 (AL) Fusobacterium necrophorum subsp. funduliforme (ex Hall‚ 1898) Shinjo et al. 1991 41:396* Fusobacterium necrophorum subsp. necrophorum (Flgge 1886) Moore and Holdeman 1969 30:302 (AL) Fusobacterium nucleatum Knorr 1922 30:303 (AL) Fusobacterium nucleatum subsp. animalis Gharbia and Shah 1992 42:297* Fusobacterium nucleatum subsp. fusiforme (ex Veillon and Zuber 1898) Gharbia and Shah 1992 42:297* Fusobacterium nucleatum subsp. nucleatum Knorr 1922 40:74* Fusobacterium nucleatum subsp. polymorphum (ex Knorr 1922) Dzink et al. 1990 40:74* Fusobacterium nucleatum subsp. vincentii (ex Knorr 1922) Dzink et al. 1990 40:74* Fusobacterium perfoetens (Tissier 1905) Moore and Holdeman 1973 30:303 (AL) Fusobacterium periodonticum Slots et al. 1984 34:270 Fusobacterium plauti see: Fusobacterium plautii Fusobacterium plautii (corrig.) -> Eubacterium plautii Fusobacterium polysaccharolyticum -> Clostridium polysaccharolyticum Fusobacterium prausnitzii -> Faecalibacterium prausnitzii Fusobacterium pseudonecrophorum (corrig.) => Fusobacterium varium Fusobacterium russii (Hauduroy et al. 1937) Moore and Holdeman 1970 30:303 (AL) Fusobacterium simiae Slots and Potts 1982 32:191* Fusobacterium sulci -> Eubacterium sulci Fusobacterium ulcerans Adriaans and Shah 1988 38:447* Fusobacterium varium (Eggerth and Gagnon 1933) Moore and Holdeman 1969 30:303 (AL) GAETBULIBACTER Jung et al. 2005 55:1848* Gaetbulibacter saemankumensis Jung et al. 2005 55:1848* GAETBULIMICROBIUM => AQUIMARINA Gaetbulimicrobium brevivitae -> Aquimarina brevivitae GALLIBACTERIUM Christensen et al. 2003 53:284 Gallibacterium anatis (Mutters et al. 1985) Christensen et al. 2003 53:285* GALLICOLA Ezaki et al. 2001 51:1527* Gallicola barnesae (Schiefer-Ullrich and Andreesen 1986) Ezaki et al. 2001 51:1527* GALLIONELLA Ehrenberg 1838 30:303 (AL) Gallionella ferruginea Ehrenberg 1838 30:304 (AL) GARCIELLA Miranda-Tello et al. 2003 53:1512* Garciella nitratireducens Miranda-Tello et al. 2003 53:1513* GARDNERELLA Greenwood and Pickett 1980 30:176* Gardnerella vaginalis (Gardner and Dukes 1955) Greenwood and Pickett 1980 30:176* GELIDIBACTER Bowman et al. 1997 47:675* Gelidibacter algens Bowman et al. 1997 47:675* Gelidibacter gilvus Bowman and Nichols 2005 55:1484* Gelidibacter mesophilus Maci n et al. 2002 52:1328* Gelidibacter salicanalis Bowman and Nichols 2005 55:1484* GELRIA Plugge et al. 2002 52:406* Gelria glutamica Plugge et al. 2002 52:406* GEMELLA Berger 1960 30:304 (AL) Gemella bergeri Collins et al. 1998 48:631 Gemella cuniculi Hoyles et al. 2000 50:2039* Gemella haemolysans (Thjotta and Boe 1938) Berger 1960 30:304 (AL) Gemella morbillorum (Prevot 1933) Kilpper-B„lz and Schleifer 1988 38:442* Gemella palaticanis Collins et al. 1999 49:1525* Gemella sanguinis Collins et al. 1999 49:1 GEMMATA Franzmann and Skerman 1985 35:375 Gemmata obscuriglobus Franzmann and Skerman 1985 35:375 GEMMATIMONAS Zhang et al. 2003 53:1161* Gemmatimonas aurantiaca Zhang et al. 2003 53:1161* GEMMIGER Gossling and Moore 1975 30:304 (AL) Gemmiger formicilis Gossling and Moore 1975 30:304 (AL) GEMMOBACTER Rothe et al. 1988 38:328 Gemmobacter aquatilis Rothe et al. 1988 38:328 GEOBACILLUS Nazina et al. 2001 51:442* Geobacillus caldoxylosilyticus (Ahmad et al. 2000) Fortina et al. 2001 51:2069* Geobacillus debilis Banat et al. 2004 54:2200* Geobacillus gargensis Nazina et al. 2004 54:2023* Geobacillus jurassicus Nazina et al. 2005 55:983 Geobacillus kaustophilus (Priest et al. 1989) Nazina et al. 2001 51:444* Geobacillus lituanicus Kuisiene et al. 2004 54:1994* Geobacillus pallidus (Scholz et al. 1988) Banat et al. 2004 54:2200 Geobacillus stearothermophilus (Donk 1920) Nazina et al. 2001 51:443* Geobacillus subterraneus Nazina et al. 2001 51:443* Geobacillus tepidamans Sch„ffer et al. 2004 54:2367* Geobacillus thermocatenulatus (Golovacheva 1991) Nazina et al. 2001 51:444* Geobacillus thermodenitrificans (Manachini et al. 2000) Nazina et al. 2001 51:444* Geobacillus thermoglucosidasius (Suzuki 1984) Nazina et al. 2001 51:444* Geobacillus thermoleovorans (Zarilla and Perry 1988) Nazina et al. 2001 51:444* Geobacillus toebii Sung et al. 2002 52:2254* Geobacillus uzenensis Nazina et al. 2001 51:443* Geobacillus vulcani (Caccamo et al. 2000) Nazina et al. 2004 54:2023 GEOBACTER Lovley et al. 1995 45:619 Geobacter bemidjiensis Nevin et al. 2005 55:1672* Geobacter bremensis Straub and Buchholz-Cleven 2001 51:1807* Geobacter chapellei Coates et al. 2001 51:586* Geobacter grbiciae Coates et al. 2001 51:587* Geobacter hydrogenophilus Coates et al. 2001 51:586* Geobacter metallireducens Lovley et al. 1995 45:619 Geobacter pelophilus Straub and Buchholz-Cleven 2001 51:1807* Geobacter psychrophilus Nevin et al. 2005 55:1672* Geobacter sulfurreducens Caccavo et al. 1995 45:619 GEODERMATOPHILUS Luedemann 1968 30:304 (AL) Geodermatophilus obscurus Luedemann 1968 30:304 (AL) GEOGLOBUS Kashefi et al. 2002 52:727* Geoglobus ahangari Kashefi et al. 2002 52:727* GEOPSYCHROBACTER Holmes et al. 2005 55:547 Geopsychrobacter electrodiphilus Holmes et al. 2005 55:547 GEORGENIA Altenburger et al. 2002 52:880* Georgenia muralis Altenburger et al. 2002 52:880* GEOTHERMOBACTER Kashefi et al. 2005 55:547 Geothermobacter ehrlichii Kashefi et al. 2005 55:547 GEOTHRIX Coates et al. 1999 49:1620* Geothrix fermentans Coates et al. 1999 49:1620* GEOTOGA Davey et al. 1993 43:864 Geotoga petraea Davey et al. 1993 43:864 Geotoga subterranea Davey et al. 1993 43:864 GEOVIBRIO Caccavo et al. 2000 50:1415 Geovibrio ferrireducens Caccavo et al. 2000 50:1415 Geovibrio thiophilus Janssen et al. 2002 52:1346* GIESBERGERIA Grabovich et al. 2006 56:573* Giesbergeria anulus (Williams and Rittenberg 1957) Grabovich et al. 2006 56:575* Giesbergeria giesbergeri (Williams and Rittenberg 1957) Grabovich et al. 2006 56:575* Giesbergeria kuznetsovii Grabovich et al. 2006 56:573* Giesbergeria sinuosa (Williams and Rittenberg 1957) Grabovich et al. 2006 56:575* Giesbergeria voronezhensis Grabovich et al. 2006 56:573* GILLISIA Van Trappen et al. 2004 54:447* Gillisia hiemivivida Bowman and Nichols 2005 55:1485* Gillisia illustrilutea Bowman and Nichols 2005 55:1484* Gillisia limnaea Van Trappen et al. 2004 54:447* Gillisia mitskevichiae Nedashkovskaya et al. 2005 55:322* Gillisia myxillae Lee et al. 2006 56:1797* Gillisia sandarakina Bowman and Nichols 2005 55:1485* GLACIECOLA Bowman et al. 1998 48:1220* Glaciecola mesophila Romanenko et al. 2003 53:647* Glaciecola nitratireducens Baik et al. 2006 56:2187* Glaciecola pallidula Bowman et al. 1998 48:1221* Glaciecola polaris Van Trappen et al. 2004 54:1770* Glaciecola punicea Bowman et al. 1998 48:1220* GLOBICATELLA Collins et al. 1995 45:418 Globicatella sanguinis Collins et al. 1995 (corrig.) 45:418 Globicatella sulfidifaciens Vandamme et al. 2001 51:1748* GLUCONACETOBACTER Yamada et al. 1998 48:327 Gluconacetobacter azotocaptans Fuentes-Ram¡rez et al. 2001 51:1312* Gluconacetobacter diazotrophicus (Gillis et al. 1989) Yamada et al. 1998 48:327 Gluconacetobacter entanii Schller et al. 2000 50:2019* Gluconacetobacter europaeus (Sievers et al. 1992) Yamada et al. 1998 48:327 Gluconacetobacter hansenii (Gossel‚ et al. 1983) Yamada et al. 1998 emend. Lisdiyanti et al. 2006 48:327 Gluconacetobacter intermedius (Boesch et al. 1998) Yamada 2000 50:2226* Gluconacetobacter johannae Fuentes-Ram¡rez et al. 2001 51:1312* Gluconacetobacter liquefaciens (Asai 1935) Yamada et al. 1998 48:327 Gluconacetobacter nataicola Lisdiyanti et al. 2006 56:2109* Gluconacetobacter oboediens (Sokollek et al. 1998) Yamada 2000 50:2226* Gluconacetobacter rhaeticus Dellaglio et al. 2005 55:2369* Gluconacetobacter sacchari Franke et al. 1999 49:1691* Gluconacetobacter saccharivorans Lisdiyanti et al. 2006 56:2108* Gluconacetobacter swingsii Dellaglio et al. 2005 55:2369* Gluconacetobacter xylinus (Brown 1886) Yamada et al. 1998 48:327 Gluconacetobacter xylinus subsp. sucrofermentans => Gluconacetobacter xylinus GLUCONOACETOBACTER see: GLUCONACETOBACTER GLUCONOBACTER Asai 1935 30:304 (AL) Gluconobacter albidus (ex Kondo and Ameyama 1958) Yukphan et al. 2005 55:983 Gluconobacter asaii => Gluconobacter cerinus Gluconobacter cerinus (ex Asai 1935) Yamada and Akita 1984 emend. Katsura et al. 2002 34:503 Gluconobacter frateurii Mason and Claus 1989 39:182* Gluconobacter oxydans (Henneberg 1897) De Ley 1961 emend. Gossel‚ et al. 1983 emend. Mason and Claus 1989 30:304 (AL) Gluconobacter oxydans subsp. industrius see: Gluconobacter oxydans Gluconobacter oxydans subsp. melanogenes see: Gluconobacter oxydans Gluconobacter oxydans subsp. oxydans see: Gluconobacter oxydans Gluconobacter oxydans subsp. sphaericus see: Gluconobacter oxydans Gluconobacter oxydans subsp. suboxydans see: Gluconobacter oxydans Gluconobacter thailandicus Tanasupawat et al. 2005 55:983 GLYCOMYCES Labeda et al. 1985 emend. Labeda and Kroppenstedt 2004 35:419* Glycomyces algeriensis Labeda and Kroppenstedt 2004 54:2345* Glycomyces arizonensis Labeda and Kroppenstedt 2004 54:2346* Glycomyces harbinensis Labeda et al. 1985 35:420* Glycomyces lechevalierae Labeda and Kroppenstedt 2004 54:2346 Glycomyces rutgersensis Labeda et al. 1985 35:420* Glycomyces tenuis Evtushenko et al. 1991 41:155* GOODFELLOWIA Labeda and Kroppenstedt 2006 56:1205* Goodfellowia coeruleoviolacea (Preobrazhenskaya and Therekova 1987) Labeda and Kroppenstedt 2006 56:1206* GORDONA see: GORDONIA Gordona aichiensis see: Gordonia aichiensis Gordona amarae see: Gordonia amarae Gordona bronchialis see: Gordonia bronchialis Gordona hirsuta see: Gordonia hirsuta Gordona hydrophobica see: Gordonia hydrophobica Gordona rubropertinctus see: Gordonia rubripertincta Gordona sputi see: Gordonia sputi Gordona terrae see: Gordonia terrae GORDONIA (ex Tsukamura) Stackebrandt et al. 1989 (corrig.) 39:371 Gordonia aichiensis (Tsukamura 1983) Klatte et al. 1994 (corrig.) 44:772* Gordonia alkanivorans Kummer et al. 1999 49:1520* Gordonia amarae (Lechevalier and Lechevalier 1974) Klatte et al. 1994 (corrig.) 44:771* Gordonia amicalis Kim et al. 2000 50:2033* Gordonia araii Kageyama et al. 2006 56:1818* Gordonia bronchialis (Tsukamura 1971) Stackebrandt et al. 1989 (corrig.) 39:371 Gordonia defluvii Soddell et al. 2006 56:2265* Gordonia desulfuricans Kim et al. 1999 49:1847* Gordonia effusa Kageyama et al. 2006 56:1818* Gordonia hirsuta Klatte et al. 1996 (corrig.) 46:879* Gordonia hydrophobica Bendinger et al. 1995 (corrig.) 45:547* Gordonia namibiensis Brandao et al. 2002 52:685 Gordonia nitida => Gordonia alkanivorans Gordonia otitidis Iida et al. 2005 55:1875* Gordonia paraffinivorans Xue et al. 2003 53:1645* Gordonia polyisoprenivorans Linos et al. 1999 49:1789* Gordonia rhizosphera Takeuchi and Hatano 1998 48:910* Gordonia rubripertincta (Hefferan 1904) Stackebrandt et al. 1989 (corrig.) 39:371 Gordonia rubropertinctus see: Gordonia rubripertincta Gordonia sihwensis Kim et al. 2003 53:1432* Gordonia sinesedis Maldonado et al. 2003 53:1219 Gordonia sputi (Tsukamura 1978) Stackebrandt et al. 1989 emend. Riegel et al. 1994 (corrig.) 39:371 Gordonia terrae (Tsukamura 1971) Stackebrandt et al. 1989 (corrig.) 39:371 Gordonia westfalica Linos et al. 2002 52:1137* GRACILIBACILLUS Wainoe et al. 1999 49:829* Gracilibacillus dipsosauri (Lawson et al. 1996) Wainoe et al. 1999 49:829* Gracilibacillus halotolerans Wainoe et al. 1999 49:829* Gracilibacillus orientalis Carrasco et al. 2006 56:603* GRACILIBACTER Lee et al. 2006 56:2092* Gracilibacter thermotolerans Lee et al. 2006 56:2092* GRAHAMELLA => BARTONELLA Grahamella peromysci -> Bartonella peromysci Grahamella talpae -> Bartonella talpae GRAMELLA Nedashkovskaya et al. 2005 55:393* Gramella echinicola Nedashkovskaya et al. 2005 55:393* Gramella portivictoriae Lau et al. 2005 55:2499* GRANULICATELLA Collins and Lawson 2000 50:367* Granulicatella adiacens (Bouvet et al. 1989) Collins and Lawson 2000 50:367* Granulicatella balaenopterae (Lawson et al. 1999) Collins and Lawson 2000 50:368* Granulicatella elegans (Roggenkamp et al. 1999) Collins and Lawson 2000 50:367* GRIMONTIA Thompson et al. 2003 53:1617* Grimontia hollisae (Hickman et al. 1982) Thompson et al. 2003 53:1617* GUGGENHEIMELLA Wyss et al. 2005 55:669* Guggenheimella bovis Wyss et al. 2005 55:670* GULOSIBACTER Manaia et al. 2004 54:787* Gulosibacter molinativorax Manaia et al. 2004 54:787* HAEMOBARTONELLA -> MYCOPLASMA Haemobartonella canis -> Mycoplasma haemocanis Haemobartonella felis -> Mycoplasma haemofelis Haemobartonella muris -> Mycoplasma haemomuris HAEMOPHILUS Winslow et al. 1917 30:305 (AL) Haemophilus actinomycetemcomitans -> Aggregatibacter actinomycetemcomitans Haemophilus aegyptius (Trevisan 1889) Pittman and Davis 1950 30:305 (AL) Haemophilus aphrophilus -> Aggregatibacter aphrophilus Haemophilus avium -> Avibacterium avium Haemophilus ducreyi (Neveu-Lemaire 1921) Bergey et al. 1923 30:305 (AL) Haemophilus equigenitalis -> Taylorella equigenitalis Haemophilus felis Inzana et al. 1999 49:341 Haemophilus haemoglobinophilus (Lehmann and Neumann 1907) Murray 1939 30:305 (AL) Haemophilus haemolyticus Bergey et al. 1923 30:305 (AL) Haemophilus influenzae (Lehmann and Neumann 1896) Winslow et al. 1917 30:305 (AL) Haemophilus paracuniculus Targowski and Targowski 1984 34:355 Haemophilus paragallinarum -> Avibacterium paragallinarum Haemophilus parahaemolyticus Pittman 1953 30:306 (AL) Haemophilus parainfluenzae Rivers 1922 30:306 (AL) Haemophilus paraphrohaemolyticus Zinnemann et al. 1971 30:306 (AL) Haemophilus paraphrophilus => Haemophilus aphrophilus Haemophilus parasuis Biberstein and White 1969 30:306 (AL) Haemophilus piscium Snieszko et al. 1950 30:306 (AL) Haemophilus pittmaniae N”rskov-Lauritsen et al. 2005 55:455* Haemophilus pleuropneumoniae -> Actinobacillus pleuropneumoniae Haemophilus segnis -> Aggregatibacter segnis Haemophilus vaginalis -> Gardnerella vaginalis HAFNIA Moller 1954 30:306 (AL) Hafnia alvei Moller 1954 30:306 (AL) HAHELLA Lee et al. 2001 emend. Baik et al. 2005 51:664* Hahella chejuensis Lee et al. 2001 51:665* Hahella ganghwensis Baik et al. 2005 55:683* HALALKALICOCCUS Xue et al. 2005 55:2504* Halalkalicoccus tibentensis Xue et al. 2005 55:2504* HALANAEROBACTER Liaw and Mah 1996 emend. Moun‚ et al. 1999 (corrig.) 46:362 Halanaerobacter chitinivorans Liaw and Mah 1996 (corrig.) 46:362 Halanaerobacter lacunarum (Zhilina et al. 1992) Rainey et al. 1995 (corrig.) 45:879 Halanaerobacter salinarius Moun‚ et al. 1999 (corrig.) 49:111* HALANAEROBIUM Zeikus et al. 1984 (corrig.) 34:503 Halanaerobium acetethylicum (Rengpipat et al. 1989) Rainey et al. 1995 (corrig.) 45:879 Halanaerobium alcaliphilum Tsai et al. 1995 (corrig.) 45:305* Halanaerobium congolense Ravot et al. 1998 (corrig.) 48:1083 Halanaerobium fermentans Kobayashi et al. 2000 (corrig.) 50:1626* Halanaerobium kushneri Bhupathiraju et al. 1999 (corrig.) 49:958* Halanaerobium lacusrosei Cayol et al. 1995 (corrig.) 45:796* Halanaerobium praevalens Zeikus et al. 1984 (corrig.) 34:503 Halanaerobium saccharolyticum (corrig.) Halanaerobium saccharolyticum subsp. saccharolyticum Halanaerobium saccharolyticum subsp. saccharolyticum (Zhilina et al. 1992 emend. Cayol et al. 1994) Rainey et al. 1995 (corrig.) 45:879 Halanaerobium saccharolyticum subsp. senegalense (Cayol et al. 1994) Rainey et al. 1995 (corrig.) 45:880 Halanaerobium salsuginis Bhupathiraju et al. 1994 (corrig.) 44:570* HALIANGIUM Fudou et al. 2002 52:1437 Haliangium ochraceum Fudou et al. 2002 52:1437 Haliangium tepidum Fudou et al. 2002 52:1437 HALISCOMENOBACTER van Veen et al. 1973 30:306 (AL) Haliscomenobacter hydrossis van Veen et al. 1973 30:306 (AL) HALLELLA Moore and Moore 1994 44:190* Hallella seregens Moore and Moore 1994 44:190* HALOANAEROBACTER see: HALANAEROBACTER HALOANAEROBIUM see: HALANAEROBIUM Haloanaerobium saccharolyticum subsp. senegalense see: Halanaerobium saccharolyticum subsp. senegalense HALOARCULA Torreblanca et al. 1986 36:573 Haloarcula argentinensis Ihara et al. 1997 47:76* Haloarcula hispanica Juez et al. 1986 36:573 Haloarcula japonica Takashina et al. 1991 41:178 Haloarcula marismortui (ex Volcani) Oren et al. 1990 40:210* Haloarcula mukohataei -> Halomicrobium mukohataei Haloarcula quadrata Oren et al. 1999 49:1154* Haloarcula vallismortis (Gonzalez et al. 1979) Torreblanca et al. 1986 36:573 HALOBACILLUS Spring et al. 1996 46:495* Halobacillus aidingensis Liu et al. 2005 55:1995* Halobacillus dabanensis Liu et al. 2005 55:1995* Halobacillus halophilus (Claus et al. 1984) Spring et al. 1996 46:495* Halobacillus karajensis Amoozegar et al. 2003 53:1062* Halobacillus litoralis Spring et al. 1996 46:495* Halobacillus locisalis Yoon et al. 2004 54:1425 Halobacillus salinus Yoon et al. 2003 53:691* Halobacillus trueperi Spring et al. 1996 46:495* Halobacillus yeomjeoni Yoon et al. 2005 55:2417* HALOBACTERIUM Elazari-Volcani 1957 30:306 (AL) Halobacterium cutirubrum => Halobacterium salinarum Halobacterium denitrificans -> Haloferax denitrificans Halobacterium distributum -> Halorubrum distributum Halobacterium halobium (Petter 1931) Elazari-Volcani 1957 30:307 (AL) Halobacterium jilantaiense Yang et al. 2006 56:2355* Halobacterium lacusprofundi -> Halorubrum lacusprofundi Halobacterium mediterranei -> Haloferax mediterranei Halobacterium noricense Gruber et al. 2005 55:983 Halobacterium pharaonis -> Natronomonas pharaonis Halobacterium saccharovorum -> Halorubrum saccharovorum Halobacterium salinarium see: Halobacterium salinarum Halobacterium salinarum (Harrison and Kennedy 1922) Elazari-Volcani 1957 emend. Gruber et al. 2004 (corrig.) 30:307 (AL) Halobacterium sodomense -> Halorubrum sodomense Halobacterium trapanicum -> Halorubrum trapanicum Halobacterium vallismortis -> Haloarcula vallismortis Halobacterium volcanii -> Haloferax volcanii HALOBACTEROIDES Oren et al. 1984 34:355 Halobacteroides acetoethylicus -> Halanaerobium acetethylicum Halobacteroides elegans Zhilina et al. 1997 47:1274 Halobacteroides halobius Oren et al. 1984 34:355 Halobacteroides lacunaris -> Halanaerobacter lacunarum HALOBACULUM Oren et al. 1995 45:752* Halobaculum gomorrense Oren et al. 1995 45:753* HALOBIFORMA Hezayen et al. 2002 52:2278* Halobiforma haloterrestris Hezayen et al. 2002 52:2278* Halobiforma lacisalsi Xu et al. 2005 55:1951* Halobiforma nitratireducens (Xin et al. 2001) Hezayen et al. 2002 52:2278* HALOCELLA Simankova et al. 1994 44:182 Halocella cellulosilytica Simankova et al. 1994 (corrig.) 44:182 HALOCHROMATIUM Imhoff et al. 1998 48:1139* Halochromatium glycolicum (Caumette et al. 1997) Imhoff et al. 1998 48:1140* Halochromatium salexigens (Caumette et al. 1989) Imhoff et al. 1998 48:1140* HALOCOCCUS Schoop 1935 30:307 (AL) Halococcus dombrowskii Stan-Lotter et al. 2002 52:1813* Halococcus hamelinensis Goh et al. 2006 56:1328* Halococcus morrhuae (Farlow 1880) Kocur and Hodgkiss 1973 30:307 (AL) Halococcus saccharolyticus Montero et al. 1990 40:105 Halococcus salifodinae Denner et al. 1994 44:779* Halococcus turkmenicus -> Haloterrigena turkmenica HALOFERAX Torreblanca et al. 1986 36:573 Haloferax alexandrinus Asker and Ohta 2002 52:736* Haloferax denitrificans (Tomlinson et al. 1986) Tindall et al. 1989 39:360* Haloferax gibbonsii Juez et al. 1986 36:573 Haloferax lucentense Gutierrez et al. 2004 (corrig.) 54:1 Haloferax mediterranei (Rodriguez-Valera et al. 1983) Torreblanca et al. 1987 37:179 Haloferax sulfurifontis Elshahed et al. 2004 54:2278* Haloferax volcanii (Mullakhanbhai and Larsen 1975) Torreblanca et al. 1986 36:573 HALOGEOMETRICUM Montalvo-Rodr¡guez et al. 1998 48:1310* Halogeometricum borinquense Montalvo-Rodr¡guez et al. 1998 48:1310* HALOINCOLA => HALANAEROBIUM Haloincola saccharolytica see: Haloincola saccharolyticus Haloincola saccharolytica subsp. saccharolytica see: Haloincola saccharolyticus subsp. saccharolyticus Haloincola saccharolytica subsp. senegalensis see: Haloincola saccharolyticus subsp. senegalensis Haloincola saccharolyticus (corrig.) -> Halanaerobium saccharolyticum Haloincola saccharolyticus subsp. saccharolyticus (corrig.) -> Halanaerobium saccharolyticum subsp. saccharolyticum Haloincola saccharolyticus subsp. senegalensis (corrig.) -> Halanaerobium saccharolyticum subsp. senegalense HALOLACTIBACILLUS Ishikawa et al. 2005 55:2437* Halolactibacillus halophilus Ishikawa et al. 2005 55:2437* Halolactibacillus miurensis Ishikawa et al. 2005 55:2437* HALOMETHANOCOCCUS Yu and Kawamura 1988 38:328 Halomethanococcus doii Yu and Kawamura 1988 38:328 HALOMICROBIUM Oren et al. 2002 52:1834* Halomicrobium mukohataei (Ihara et al. 1997) Oren et al. 2002 52:1834* HALOMONAS Vreeland et al. 1980 emend. Dobson and Franzmann 1996 30:494* Halomonas alimentaria Yoon et al. 2002 52:128* Halomonas almeriensis Mart¡nez-Checa et al. 2005 55:2010* Halomonas anticariensis Mart¡nez-C novas et al. 2004 54:1330* Halomonas aquamarina (ZoBell and Upham 1944) Dobson and Franzmann 1996 46:556* Halomonas axialensis Kaye et al. 2004 54:509* Halomonas boliviensis Quillaguam n et al. 2004 54:724* Halomonas campaniensis Romano et al. 2005 55:2236 Halomonas campisalis Mormile et al. 2000 50:949 Halomonas canadensis -> Chromohalobacter canadensis Halomonas cupida (Baumann et al. 1972) Dobson and Franzmann 1996 46:556* Halomonas desiderata Berendes et al. 1997 47:242 Halomonas elongata Vreeland et al. 1980 30:494* Halomonas eurihalina (Quesada et al. 1990) Mellado et al. 1995 45:715* Halomonas halmophila (Elazari-Volcani 1940) Franzmann et al. 1989 emend. Dobson et al. 1990 39:205 Halomonas halocynthiae Romanenko et al. 2002 52:1771* Halomonas halodenitrificans (Robinson and Gibbons 1952) Dobson and Franzmann 1996 46:556* Halomonas halodurans Hebert and Vreeland 1987 37:347* Halomonas halophila (Quesada et al. 1984) Dobson and Franzmann 1996 46:556* Halomonas hydrothermalis Kaye et al. 2004 54:509* Halomonas israelensis -> Chromohalobacter israelensis Halomonas koreensis Lim et al. 2004 54:2041* Halomonas magadiensis Duckworth et al. 2000 (corrig.) 50:1415 Halomonas marina -> Cobetia marina Halomonas marisflavae see: Halomonas marisflavi Halomonas marisflavi Yoon et al. 2001 (corrig.) 51:1176* Halomonas maura Bouchotroch et al. 2001 51:1630* Halomonas meridiana James et al. 1990 40:470 Halomonas muralis Heyrman et al. 2002 52:2053* Halomonas neptunia Kaye et al. 2004 54:508* Halomonas organivorans Garc¡a et al. 2004 54:1727* Halomonas pacifica (Baumann et al. 1972) Dobson and Franzmann 1996 46:556* Halomonas pantelleriense see: Halomonas pantelleriensis Halomonas pantelleriensis Romano et al. 1997 (corrig.) 47:601 Halomonas salina (Valderrama et al. 1991) Dobson and Franzmann 1996 46:556* Halomonas subglaciescola Franzmann et al. 1987 37:27* Halomonas sulfidaeris Kaye et al. 2004 54:508* Halomonas taeanensis Lee et al. 2005 55:2031* Halomonas variabilis (Fendrich 1989) Dobson and Franzmann 1996 46:556* Halomonas ventosae Mart¡nez-C novas et al. 2004 54:737* Halomonas venusta (Baumann et al. 1972) Dobson and Franzmann 1996 46:556* HALONATRONUM Zhilina et al. 2001 51:263 Halonatronum saccharophilum Zhilina et al. 2001 51:263 HALORHABDUS Wainoe et al. 2000 50:188* Halorhabdus utahensis Wainoe et al. 2000 50:189* HALORHODOSPIRA Imhoff and Sling 1997 emend. Hirschler-R‚a et al. 2003 47:915 Halorhodospira abdelmalekii (Imhoff and Trper 1982) Imhoff and Sling 1997 47:915 Halorhodospira halochloris (Imhoff and Trper 1979) Imhoff and Sling 1997 47:915 Halorhodospira halophila (Raymond and Sistrom 1969) Imhoff and Sling 1997 47:915 Halorhodospira neutriphila Hirschler-R‚a et al. 2003 53:162* HALORUBROBACTERIUM = HALORUBRUM Halorubrobacterium coriense -> Halorubrum coriense Halorubrobacterium coriensis see: Halorubrobacterium coriense Halorubrobacterium distributum -> Halorubrum distributum Halorubrobacterium lacusprofundi = Halorubrum lacusprofundi Halorubrobacterium saccharovorum = Halorubrum saccharovorum Halorubrobacterium sodomense = Halorubrum sodomense HALORUBRUM McGenity and Grant 1996 46:362 Halorubrum aidingense Cui et al. 2006 56:1633* Halorubrum alkaliphilum Feng et al. 2005 55:151* Halorubrum coriense (Kamekura and Dyall-Smith 1996) Oren and Ventosa 1996 46:1180* Halorubrum distributum (Zvyagintseva and Tarasov 1989) Oren and Ventosa 1996 46:1180* Halorubrum ezzemoulense Kharroub et al. 2006 56:1585* Halorubrum lacusprofundi (Franzmann et al. 1989) McGenity and Grant 1996 46:362 Halorubrum lipolyticum Cui et al. 2006 56:1632* Halorubrum saccharovorum (Tomlinson and Hochstein 1977) McGenity and Grant 1996 46:362 Halorubrum sodomense (Oren 1983) McGenity and Grant 1996 46:362 Halorubrum tebenquichense Lizama et al. 2002 52:154* Halorubrum terrestre Ventosa et al. 2004 54:392* Halorubrum tibetense Fan et al. 2004 54:1215* Halorubrum trapanicum (Petter 1931) McGenity and Grant 1996 46:362 Halorubrum vacuolatum (Mwatha and Grant 1993) Kamekura et al. 1997 47:857* Halorubrum xinjiangense Feng et al. 2004 54:1791* HALOSIMPLEX Vreeland et al. 2003 53:936 Halosimplex carlsbadense Vreeland et al. 2003 53:936 HALOSPINA Sorokin et al. 2006 56:386* Halospina denitrificans Sorokin et al. 2006 56:386* HALOSPIRULINA Nbel et al. 2000 50:1275* Halospirulina tapeticola Nbel et al. 2000 50:1275* HALOSTAGNICOLA Castillo et al. 2006 56:1521* Halostagnicola larsenii Castillo et al. 2006 56:1521* HALOTERRIGENA Ventosa et al. 1999 49:135* Haloterrigena limicola Cui et al. 2006 56:1839* Haloterrigena longa Cui et al. 2006 56:1838* Haloterrigena saccharevitans Xu et al. 2005 55:2541* Haloterrigena thermotolerans Montalvo-Rodr¡guez et al. 2000 50:1070* Haloterrigena turkmenica (Zvyagintseva and Tarasov 1989) Ventosa et al. 1999 49:135* HALOTHERMOTHRIX Cayol et al. 1994 44:538* Halothermothrix orenii Cayol et al. 1994 44:538* HALOTHIOBACILLUS Kelly and Wood 2000 emend. Sievert et al. 2000 50:515* Halothiobacillus halophilus (Wood and Kelly 1995) Kelly and Wood 2000 50:515* Halothiobacillus hydrothermalis (Durand et al. 1997) Kelly and Wood 2000 50:515* Halothiobacillus kellyi Sievert et al. 2000 50:1235* Halothiobacillus neapolitanus (Parker 1957) Kelly and Wood 2000 50:515* HALOVIBRIO => HALOMONAS Halovibrio denitrificans Sorokin et al. 2006 56:386* Halovibrio variabilis -> Halomonas variabilis HALOVIVAX Castillo et al. 2006 56:767* Halovivax asiaticus Castillo et al. 2006 56:769* HELCOCOCCUS Collins et al. 1993 43:427* Helcococcus kunzii Collins et al. 1993 43:427* Helcococcus ovis Collins et al. 1999 49:1432* Helcococcus sueciensis Collins et al. 2004 54:1560* HELICOBACTER Goodwin et al. 1989 emend. Vandamme et al. 1991 39:403* Helicobacter acinonychis Eaton et al. 1993 (corrig.) 43:105* Helicobacter anseris Fox et al. 2006 56:2025 Helicobacter aurati Patterson et al. 2002 52:3 Helicobacter bilis Fox et al. 1997 47:601 Helicobacter bizzozeronii H„nninen et al. 1996 46:165* Helicobacter brantae Fox et al. 2006 56:2025 Helicobacter canadensis Fox et al. 2002 52:3 Helicobacter canis Stanley et al. 1994 44:370 Helicobacter cetorum Harper et al. 2006 56:2025 Helicobacter cholecystus Franklin et al. 1997 47:601 Helicobacter cinaedi (Totten et al. 1988) Vandamme et al. 1991 41:100* Helicobacter cynogastricus Van den Bulck et al. 2006 56:1563* Helicobacter felis Paster et al. 1991 41:36* Helicobacter fennelliae (Totten et al. 1988) Vandamme et al. 1991 41:100* Helicobacter ganmani Robertson et al. 2001 51:1888* Helicobacter hepaticus Fox et al. 1994 44:595 Helicobacter marmotae Fox et al. 2006 56:2025* Helicobacter mastomyrinus Shen et al. 2006 56:2025* Helicobacter mesocricetorum Simmons et al. 2000 50:1699 Helicobacter muridarum Lee et al. 1992 42:35* Helicobacter mustelae (Fox et al. 1988) Goodwin et al. 1989 39:403* Helicobacter nemestrinae => Helicobacter pylori Helicobacter pametensis Dewhirst et al. 1994 44:559* Helicobacter pullorum Stanley et al. 1995 45:418 Helicobacter pylori (Marshall et al. 1985) Goodwin et al. 1989 39:403* Helicobacter rodentium Shen et al. 1997 47:633* Helicobacter salomonis Jalava et al. 1997 47:981* Helicobacter trogontum Mendes et al. 1996 46:920* Helicobacter typhlonius Franklin et al. 2002 52:686 HELIOBACILLUS Beer-Romero and Guest 1998 48:627 Heliobacillus mobilis Beer-Romero and Guest 1998 48:627 HELIOBACTERIUM Gest and Favinger 1985 35:223 Heliobacterium chlorum Gest and Favringer 1985 35:223 Heliobacterium gestii Ormerod et al. 1996 46:1189 Heliobacterium modesticaldum Kimble et al. 1996 46:1189 Heliobacterium sulfidophilum Bryantseva et al. 2001 51:1 Heliobacterium undosum Bryantseva et al. 2001 51:1 HELIOPHILUM Ormerod et al. 1996 46:1189 Heliophilum fasciatum Ormerod et al. 1996 46:1189 HELIORESTIS Bryantseva et al. 2000 50:949 Heliorestis baculata Bryantseva et al. 2001 51:263 Heliorestis daurensis Bryantseva et al. 2000 50:949 HELIOTHRIX Pierson et al. 1986 36:354 Heliothrix oregonensis Pierson et al. 1986 36:354 HERBASPIRILLUM Baldani et al. 1986 emend. Baldani et al.1996 36:86* Herbaspirillum autotrophicum (Aragno and Schlegel 1978) Ding and Yokota 2004 54:2228 Herbaspirillum chlorophenolicum Im et al. 2004 54:854* Herbaspirillum frisingense Kirchhof et al. 2001 51:166* Herbaspirillum hiltneri Rothballer et al. 2006 56:1347* Herbaspirillum huttiense (Leifson 1962) Ding and Yokota 2004 54:2228 Herbaspirillum lusitanum Valverde et al. 2003 53:1982* Herbaspirillum putei Ding and Yokota 2004 54:2228 Herbaspirillum rubrisubalbicans (Christopher and Edgerton 1930) Baldani et al. 1996 46:809* Herbaspirillum seropedicae Baldani et al. 1986 emend. Baldani et al. 1996 36:86* HERBIDOSPORA Kudo et al. 1993 43:327* Herbidospora cretacea Kudo et al. 1993 43:327* HERMINIIMONAS Fernandes et al. 2005 55:2236 Herminiimonas aquatilis K„mpfer et al. 2006 56:1459* Herminiimonas arsenicoxydans Muller et al. 2006 56:1768* Herminiimonas fonticola Fernandes et al. 2005 55:2236 HERPETOSIPHON Holt and Lewin 1968 30:307 (AL) Herpetosiphon aurantiacus Holt and Lewin 1968 30:307 (AL) Herpetosiphon cohaerens -> Lewinella cohaerens Herpetosiphon geysericola (Copeland 1936) Lewin 1970 30:308 (AL) Herpetosiphon nigricans -> Lewinella nigricans Herpetosiphon persicus -> Lewinella persicus HESPELLIA Whitehead et al. 2004 54:244* Hespellia porcina Whitehead et al. 2004 54:244* Hespellia stercorisuis Whitehead et al. 2004 54:244* HIPPEA Miroshnichenko et al. 1999 49:1037* Hippea maritima Miroshnichenko et al. 1999 49:1037* HIRSCHIA Schlesner et al. 1990 40:449* Hirschia baltica Schlesner et al. 1990 40:449* HISTOPHILUS Angen et al. 2003 53:1454* Histophilus somni Angen et al. 2003 53:1455* HOEFLEA Peix et al. 2005 55:1165* Hoeflea alexandrii Palacios et al. 2006 56:1994* Hoeflea marina Peix et al. 2005 55:1166* Hoeflea phototrophica Biebl et al. 2006 56:825* HOLDEMANIA Willems et al. 1997 47:1203* Holdemania filiformis Willems et al. 1997 47:1203* HOLLANDINA (ex To et al. 1978) Bermudes et al. 1988 38:295* Hollandina pterotermitidis (ex To et al. 1978) Bermudes et al. 1988 38:296* HOLOPHAGA Liesack et al. 1995 45:197 Holophaga foetida Liesack et al. 1995 45:197 HOLOSPORA (ex Hafkine 1890) Gromov and Ossipov 1981 31:351* Holospora caryophila (ex Hafkine 1890) Preer and Preer 1982 32:140* Holospora elegans (ex Hafkine 1890) Preer and Preer 1982 32:140* Holospora obtusa (ex Hafkine 1890) Gromov and Ossipov 1981 31:351* Holospora undulata (ex Hafkine 1890) Gromov and Ossipov 1981 31:351* HONGIA => KRIBBELLA Hongia koreensis -> Kribbella koreensis HONGIELLA Yi and Chun 2004 emend. Nedashkovskaya et al. 2004 54:160* Hongiella halophila -> Algoriphagus halophilus Hongiella mannitolivorans Yi and Chun 2004 54:160* Hongiella marincola Yoon et al. 2004 54:1848* Hongiella ornithinivorans Yi and Chun 2004 54:160* HYDROCARBONIPHAGA Palleroni et al. 2004 54:1207* Hydrocarboniphaga effusa Palleroni et al. 2004 54:1207* HYDROGENIMONAS Takai et al. 2004 54:31* Hydrogenimonas thermophila Takai et al. 2004 54:31* HYDROGENIVIRGA Nakagawa et al. 2004 54:2083* Hydrogenivirga caldilitoris Nakagawa et al. 2004 54:2083 HYDROGENOBACTER Kawasumi et al. 1984 34:9* Hydrogenobacter acidophilus -> Hydrogenobaculum acidophilum Hydrogenobacter hydrogenophilus (Kryukov et al. 1984) St”hr et al. 2001 51:1860* Hydrogenobacter subterraneus Takai et al. 2001 51:1433* Hydrogenobacter thermophilus Kawasumi et al. 1984 34:9* HYDROGENOBACULUM St”hr et al. 2001 51:1860* Hydrogenobaculum acidophilum (Shima and Suzuki 1993) St”hr et al. 2001 51:1860* HYDROGENOPHAGA Willems et al. 1989 39:329* Hydrogenophaga atypica K„mpfer et al. 2005 55:344* Hydrogenophaga defluvii K„mpfer et al. 2005 55:343* Hydrogenophaga flava (Niklewski 1910) Willems et al. 1989 39:329* Hydrogenophaga intermedia Contzen et al. 2001 51:793 Hydrogenophaga palleronii (Davis 1970) Willems et al. 1989 39:330* Hydrogenophaga pseudoflava (Auling et al. 1978) Willems et al. 1989 39:330* Hydrogenophaga taeniospiralis (Lalucat et al. 1982) Willems et al. 1989 39:330* HYDROGENOPHILUS Hayashi et al. 1999 49:785* Hydrogenophilus hirschii St”hr et al. 2001 51:488* Hydrogenophilus thermoluteolus Hayashi et al. 1999 49:785* HYDROGENOTHERMUS St”hr et al. 2001 51:1860* Hydrogenothermus marinus St”hr et al. 2001 51:1861* HYDROGENOVIBRIO Nishihara et al. 1991 41:132* Hydrogenovibrio marinus Nishihara et al. 1991 41:132* HYLEMONELLA Spring et al. 2004 54:104* Hylemonella gracilis (Canale-Parola et al. 1966) Spring et al. 2004 54:104* HYMENOBACTER Hirsch et al. 1999 emend. Buczolits et al. 2006 49:1 Hymenobacter actinosclerus Collins et al. 2000 50:733* Hymenobacter aerophilus Buczolits et al. 2002 52:454* Hymenobacter chitinivorans Buczolits et al. 2006 56:2007* Hymenobacter gelipurpurascens Buczolits et al. 2006 56:2077* Hymenobacter norwichensis Buczolits et al. 2006 56:2077* Hymenobacter ocellatus Buczolits et al. 2006 56:2076* Hymenobacter rigui Baik et al. 2006 56:2191* Hymenobacter roseosalivarius Hirsch et al. 1999 49:1 HYPERTHERMUS Zillig et al. 1991 41:170* Hyperthermus butylicus Zillig et al. 1991 41:170* HYPHOMICROBIUM Stutzer and Hartleb 1899 emend. Urakami et al. 1995 30:308 (AL) Hyphomicrobium aestuarii Hirsch 1989 39:495 Hyphomicrobium chloromethanicum McDonald et al. 2001 51:121* Hyphomicrobium coagulans (ex Takada 1975) Hirsch 1989 39:495 Hyphomicrobium denitrificans Urakami et al. 1995 45:531* Hyphomicrobium facile Hirsch 1989 (corrig.) 39:495 Hyphomicrobium facile subsp. facile Hirsch 1989 (corrig.) 39:495 Hyphomicrobium facile subsp. tolerans Hirsch 1989 (corrig.) 39:495 Hyphomicrobium facile subsp. ureaphilum Hirsch 1989 (corrig.) 39:495 Hyphomicrobium facilis see: Hyphomicrobium facile Hyphomicrobium facilis subsp. facilis see: Hyphomicrobium facile subsp. facile Hyphomicrobium facilis subsp. tolerans see: Hyphomicrobium facile subsp. tolerans Hyphomicrobium facilis subsp. ureaphilum see: Hyphomicrobium facile subsp. ureaphilum Hyphomicrobium hollandicum Hirsch 1989 39:495 Hyphomicrobium indicum -> Photobacterium indicum Hyphomicrobium methylovorum Izumi et al. 1983 33:439 Hyphomicrobium neptunium -> Hyphomonas neptunium Hyphomicrobium sulfonivorans Borodina et al. 2002 52:686 Hyphomicrobium vulgare Stutzer and Hartleb 1899 30:308 (AL) Hyphomicrobium zavarzinii Hirsch 1989 39:495 HYPHOMONAS (ex Pongratz 1957) Moore et al. 1984 emend. Weiner et al. 2000 34:71* Hyphomonas adhaerens Weiner et al. 2000 50:467* Hyphomonas hirschiana Weiner et al. 1985 35:237* Hyphomonas jannaschiana Weiner et al. 1985 35:237* Hyphomonas johnsonii Weiner et al. 2000 50:467* Hyphomonas neptunium (Leifson 1964) Moore et al. 1984 34:73* Hyphomonas oceanitis Weiner et al. 1985 35:237* Hyphomonas polymorpha (ex Pongratz 1957) Moore et al. 1984 34:72* Hyphomonas rosenbergii Weiner et al. 2000 50:467* IDEONELLA Malmqvist et al. 1994 44:595 Ideonella dechloratans Malmqvist et al. 1994 44:595 IDIOMARINA Ivanova et al. 2000 50:906* Idiomarina abyssalis Ivanova et al. 2000 50:906* Idiomarina baltica Brettar et al. 2003 53:412* Idiomarina fontislapidosi Mart¡nez-C novas et al. 2004 54:1796* Idiomarina homiensis Kwon et al. 2006 56:2232* Idiomarina loihiensis Donachie et al. 2003 53:1878* Idiomarina ramblicola Mart¡nez-C novas et al. 2004 54:1797* Idiomarina seosinensis Choi and Cho 2005 55:383* Idiomarina zobellii Ivanova et al. 2000 50:906* IGNAVIGRANUM Collins et al. 1999 49:100* Ignavigranum ruoffiae Collins et al. 1999 49:100* IGNICOCCUS Huber et al. 2000 50:2098* Ignicoccus islandicus Huber et al. 2000 50:2099* Ignicoccus pacificus Huber and Stetter 2000 50:2099* IGNISPHAERA Niederberger et al. 2006 56:970* Ignisphaera aggregans Niederberger et al. 2006 56:970* ILYOBACTER Stieb and Schink 1985 35:375 Ilyobacter delafieldii Janssen and Harfoot 1991 41:331 Ilyobacter insuetus Brune et al. 2002 52:431* Ilyobacter polytropus Stieb and Schink 1985 35:375 Ilyobacter tartaricus Schink 1985 35:375 INQUILINUS Coenye et al. 2002 52:1437 Inquilinus limosus Coenye et al. 2002 52:1437 INTRASPORANGIUM Kalakoutskii et al. 1967 30:308 (AL) Intrasporangium calvum Kalakoutskii et al. 1967 30:308 (AL) IODOBACTER Logan 1989 39:455* Iodobacter fluviatilis (Moss et al. 1981) Logan 1989 (corrig.) 39:455* ISOBACULUM Collins et al. 2002 52:209* Isobaculum melis Collins et al. 2002 52:209* ISOCHROMATIUM Imhoff et al. 1998 48:1141* Isochromatium buderi (Trper and Jannasch 1968) Imhoff et al. 1998 48:1141* ISOPTERICOLA Stackebrandt et al. 2004 54:687* Isoptericola halotolerans Zhang et al. 2005 55:1869* Isoptericola hypogeus Groth et al. 2005 55:1718* Isoptericola variabilis (Bakalidou et al. 2002) Stackebrandt et al. 2004 54:687* ISOSPHAERA Giovannoni et al. 1995 45:619 Isosphaera pallida (ex Woronichin 1927) Giovannoni et al. 1995 45:619 JANIBACTER Martin et al. 1997 47:533* Janibacter anophelis K„mpfer et al. 2006 56:391* Janibacter brevis => Janibacter terrae Janibacter limosus Martin et al. 1997 47:533* Janibacter melonis Yoon et al. 2004 54:1979* Janibacter terrae Yoon et al. 2000 emend. Lang et al. 2003 50:1826* JANNASCHIA Wagner-D”bler et al. 2003 53:735* Jannaschia cystaugens Adachi et al. 2004 54:1691* Jannaschia helgolandensis Wagner-D”bler et al. 2003 53:736* Jannaschia rubra Maci n et al. 2005 55:652* Jannaschia seosinensis Choi et al. 2006 56:49* JANTHINOBACTERIUM De Ley et al. 1978 emend. Lincoln et al. 1999 30:308 (AL) Janthinobacterium agaricidamnosum Lincoln et al. 1999 49:1587* Janthinobacterium lividum (Eisenberg 1891) De Ley et al. 1978 30:308 (AL) JEOTGALIBACILLUS Yoon et al. 2001 51:2092* Jeotgalibacillus alimentarius Yoon et al. 2001 51:2092* JEOTGALICOCCUS Yoon et al. 2003 53:600* Jeotgalicoccus halotolerans Yoon et al. 2003 53:601* Jeotgalicoccus pinnipedialis Hoyles et al. 2004 54:747* Jeotgalicoccus psychrophilus Yoon et al. 2003 53:601* JIANGELLA Song et al. 2005 55:883* Jiangella gansuensis Song et al. 2005 55:883* JOHNSONELLA Moore and Moore 1994 44:190* Johnsonella ignava Moore and Moore 1994 44:190* JONESIA Rocourt and Stackebrandt 1987 37:266* Jonesia denitrificans (Prevot 1961) Rocourt et al. 1987 37:266* Jonesia quinghaiensis Schumann et al. 2004 54:2184* KAISTELLA Kim et al. 2004 54:2323* Kaistella koreensis Kim et al. 2004 54:2323 KAISTIA Im et al. 2005 55:983 Kaistia adipata Im et al. 2005 55:983 KANGIELLA Yoon et al. 2004 54:1833* Kangiella aquimarina Yoon et al. 2004 54:1833* Kangiella koreensis Yoon et al. 2004 54:1833* KERSTERSIA Coenye et al. 2003 53:1830* Kerstersia gyiorum Coenye et al. 2003 53:1830* KETOGULONICIGENIUM Urbance et al. 2001 (corrig.) 51:1068* Ketogulonicigenium robustum Urbance et al. 2001 (corrig.) 51:1069* Ketogulonicigenium vulgare Urbance et al. 2001 (corrig.) 51:1069* KETOGULONIGENIUM see: KETOGULONICIGENIUM Ketogulonigenium robustum see: Ketogulonicigenium robustum Ketogulonigenium vulgare see: Ketogulonicigenium vulgare KIBDELOSPORANGIUM Shearer et al. 1986 36:47* Kibdelosporangium albatum Tomita et al. 1993 43:299* Kibdelosporangium aridum Shearer et al. 1986 36:48* Kibdelosporangium aridum subsp. aridum Shearer et al. 1986 36:48* Kibdelosporangium aridum subsp. largum Shearer et al. 1988 38:136 Kibdelosporangium philippinense Mertz and Yao 1988 38:282* KINEOCOCCUS Yokota et al. 1993 43:56* Kineococcus aurantiacus Yokota et al. 1993 43:56* Kineococcus marinus Lee 2006 56:1282* Kineococcus radiotolerans Phillips et al. 2002 52:937* KINEOSPHAERA Liu et al. 2002 52:1847* Kineosphaera limosa Liu et al. 2002 52:1848* KINEOSPORIA Pagani and Parenti 1978 emend. Itoh et al. 1989 emend. Kudo et al. 1998 30:308 (AL) Kineosporia aurantiaca Pagani and Parenti 1978 30:308 (AL) Kineosporia mikuniensis Kudo et al. 1998 48:1253* Kineosporia rhamnosa Kudo et al. 1998 48:1254* Kineosporia rhizophila Kudo et al. 1998 48:1253* Kineosporia succinea Kudo et al. 1998 48:1253* KINGELLA Henriksen and Bovre 1976 30:308 (AL) Kingella denitrificans Snell and Lapage 1976 30:309 (AL) Kingella indologenes -> Suttonella indologenes Kingella kingae (Henriksen and Bovre 1968) Henriksen and Bovre 1976 30:309 (AL) Kingella oralis Dewhirst et al. 1993 43:498* Kingella potus Lawson et al. 2005 55:1743 KITASATOA Matsumae and Hata 1968 30:309 (AL) Kitasatoa diplospora => Streptomyces purpureus Kitasatoa kauaiensis => Streptomyces purpureus Kitasatoa nagasakiensis => Streptomyces purpureus Kitasatoa purpurea -> Streptomyces purpureus KITASATOSPORA (corrig.) = STREPTOMYCES Kitasatospora arboriphila Groth et al. 2004 54:2127* Kitasatospora azatica (Nakagaito et al. 1993) Zhang et al. 1997 (corrig.) 47:1053* Kitasatospora cheerisanensis Chung et al. 1999 49:757* Kitasatospora cineracea Tajima et al. 2001 51:1770* Kitasatospora cochleata (Nakagaito et al. 1993) Zhang et al. 1997 (corrig.) 47:1053* Kitasatospora cystarginea (corrig.) = Streptomyces cystargineus Kitasatospora gansuensis Groth et al. 2004 54:2127 Kitasatospora griseola (corrig.) = Streptomyces griseolosporeus Kitasatospora kifunensis (Nakagaito et al. 1993) Groth et al. 2003 53:2038* Kitasatospora mediocidica (corrig.) = Streptomyces mediocidicus Kitasatospora niigatensis Tajima et al. 2001 51:1770* Kitasatospora nipponensis Groth et al. 2004 54:2127 Kitasatospora paracochleata (Nakagaito et al. 1993) Zhang et al. 1997 (corrig.) 47:1053* Kitasatospora paranensis Groth et al. 2004 54:2128* Kitasatospora phosalacinea (corrig.) = Streptomyces phosalacineus Kitasatospora putterlickiae Groth et al. 2003 53:2037* Kitasatospora sampliensis Mayilraj et al. 2006 56:522* Kitasatospora setae (corrig.) = Streptomyces setae Kitasatospora terrestris Groth et al. 2004 54:2128 Kitasatospora viridis Liu et al. 2005 55:710* KITASATOSPORIA see: KITASATOSPORA Kitasatosporia cystarginea see: Kitasatospora cystarginea Kitasatosporia griseola see: Kitasatospora griseola Kitasatosporia mediocidica see: Kitasatospora mediocidica Kitasatosporia phosalacinea see: Kitasatospora phosalacinea Kitasatosporia setae see: Kitasatospora setae KLEBSIELLA Trevisan 1885 emend. Carter et al. 1999, emend. Drancourt et al. 2001 30:309 (AL) Klebsiella granulomatis (Aragao and Vianna 1913) Carter et al. 1999 49:1698* Klebsiella mobilis = Enterobacter aerogenes Klebsiella ornithinolytica -> Raoultella ornithinolytica Klebsiella oxytoca (Flgge 1886) Lautrop 1956 30:309 (AL) Klebsiella ozaenae -> Klebsiella pneumoniae subsp. ozaenae Klebsiella planticola -> Raoultella planticola Klebsiella pneumoniae (Schroeter 1886) Trevisan 1887 30:309 (AL) Klebsiella pneumoniae subsp. ozaenae (Abel 1893) Oerskov 1984 34:355 Klebsiella pneumoniae subsp. pneumoniae (Schroeter 1886) Trevisan 1887 34:355 Klebsiella pneumoniae subsp. rhinoscleromatis (Trevisan 1887) Oerskov 1984 34:355 Klebsiella rhinoscleromatis -> Klebsiella pneumoniae subsp. rhinoscleromatis Klebsiella singaporensis Li et al. 2004 54:2135* Klebsiella terrigena -> Raoultella terrigena Klebsiella trevisanii => Raoultella planticola Klebsiella variicola Rosenblueth et al. 2004 54:631 KLUYVERA Farmer et al. 1981 31:382 Kluyvera ascorbata Farmer et al. 1981 31:382 Kluyvera cochleae => Kluyvera intermedia Kluyvera cryocrescens Farmer et al. 1981 31:382 Kluyvera georgiana Mller et al. 1996 46:63* Kluyvera intermedia (Izard et al. 1980) Pavan et al. 2005 55:441* KNOELLIA Groth et al. 2002 52:81* Knoellia sinensis Groth et al. 2002 52:82* Knoellia subterranea Groth et al. 2002 52:82* KOCURIA Stackebrandt et al. 1995 45:690* Kocuria aegyptia Li et al. 2006 56:736* Kocuria carniphila Tvrzov  et al. 2005 55:141* Kocuria erythromyxa => Kocuria rosea Kocuria himachalensis Mayilraj et al. 2006 56:1974* Kocuria kristinae (Kloos et al. 1974) Stackebrandt et al. 1995 45:690* Kocuria marina Kim et al. 2004 54:1619* Kocuria palustris Kov cs et al. 1999 49:171* Kocuria polaris Reddy et al. 2003 53:187* Kocuria rhizophila Kov cs et al. 1999 49:172* Kocuria rosea (Flgge 1886) Stackebrandt et al. 1995 45:690* Kocuria varians (Migula 1900) Stackebrandt et al. 1995 45:690* KORDIA Sohn et al. 2004 54:678* Kordia algicida Sohn et al. 2004 54:679* KORDIIMONAS Kwon et al. 2005 55:2036* Kordiimonas gwangyangensis Kwon et al. 2005 55:2037* KOSERELLA => YOKENELLA Koserella trabulsii => Yokenella regensburgei KOZAKIA Lisdiyanti et al. 2002 52:816* Kozakia baliensis Lisdiyanti et al. 2002 52:817* KRIBBELLA Park et al. 1999 emend. Sohn et al. 2003 49:750* Kribbella alba Li et al. 2006 56:1459* Kribbella antibiotica Li et al. 2004 54:1425 Kribbella flavida Park et al. 1999 49:750* Kribbella jejuensis Song et al. 2004 54:1348* Kribbella karoonensis Kirby et al. 2006 56:1100* Kribbella koreensis (Lee et al. 2000) Sohn et al. 2003 53:1007* Kribbella lupini Trujillo et al. 2006 56:410* Kribbella sandramycini Park et al. 1999 49:750* Kribbella solani Song et al. 2004 54:1347* Kribbella swartbergensis Kirby et al. 2006 56:1100* Kribbella yunnanensis Li et al. 2006 56:1459* KRIBBIA Jung et al. 2006 56:2430* Kribbia dieselivorans Jung et al. 2006 56:2430* KROKINOBACTER Khan et al. 2006 56:326* Krokinobacter diaphorus Khan et al. 2006 56:327* Krokinobacter eikastus Khan et al. 2006 56:327* Krokinobacter genikus Khan et al. 2006 56:327* KURTHIA Trevisan 1885 30:310 (AL) Kurthia gibsonii Shaw and Keddie 1983 33:672 Kurthia sibirica Belikova et al. 1988 38:220 Kurthia zopfii (Kurth 1883) Trevisan 1885 30:310 (AL) KUTZNERIA Stackebrandt et al. 1994 44:267* Kutzneria albida (Furumai et al. 1968) Stackebrandt et al. 1994 44:268* Kutzneria kofuensis (Nonomura and Ohara 1969) Stackebrandt et al. 1994 44:268* Kutzneria viridogrisea (Okuda et al. 1966) Stackebrandt et al. 1994 44:268* KYTOCOCCUS Stackebrandt et al. 1995 45:687* Kytococcus schroeteri Becker et al. 2002 52:1613* Kytococcus sedentarius (ZoBell and Upham 1944) Stackebrandt et al. 1995 45:687* LABRYS Vasilyeva and Semenov 1985 35:375 Labrys methylaminiphilus Miller et al. 2005 55:1252* Labrys monachus Vasilyeva and Semenov 1985 35:375 Labrys monahos see: Labrys monachus LACEYELLA Yoon et al. 2005 55:398* Laceyella putida (Lacey and Cross 1989) Yoon et al. 2005 55:399* Laceyella sacchari (Lacey 1971) Yoon et al. 2005 55:399* LACHNOBACTERIUM Whitford et al. 2001 51:1980* Lachnobacterium bovis Whitford et al. 2001 51:1980* LACHNOSPIRA Bryant and Small 1956 30:310 (AL) Lachnospira multipara Bryant and Small 1956 30:310 (AL) Lachnospira pectinoschiza Cornick et al. 1994 44:92* LACINUTRIX Bowman and Nichols 2005 55:1482* Lacinutrix copepodicola Bowman and Nichols 2005 55:1482* LACTOBACILLUS Beijerinck 1901 30:310 (AL) Lactobacillus acetotolerans Entani et al. 1986 36:544* Lactobacillus acidifarinae Vancanneyt et al. 2005 55:619* Lactobacillus acidipiscis Tanasupawat et al. 2000 50:1481* Lactobacillus acidophilus (Moro 1900) Hansen and Mocquot 1970 30:310 (AL) Lactobacillus agilis Weiss et al. 1982 32:266 Lactobacillus algidus Kato et al. 2000 50:1148* Lactobacillus alimentarius (ex Reuter 1970) Reuter 1983 33:672 Lactobacillus amylolyticus Bohak et al. 1999 49:1 Lactobacillus amylophilus Nakamura and Crowell 1981 31:216 Lactobacillus amylovorus Nakamura 1981 31:61* Lactobacillus animalis Dent and Williams 1983 33:438 Lactobacillus antri Roos et al. 2005 55:81* Lactobacillus apodemi Osawa et al. 2006 56:1695* Lactobacillus arizonensis => Lactobacillus plantarum Lactobacillus aviarius Fujisawa et al. 1985 35:223 Lactobacillus aviarius subsp. araffinosus Fujisawa et al. 1986 36:354 Lactobacillus aviarius subsp. aviarius Fujisawa et al. 1985 36:354 Lactobacillus bavaricus => Lactobacillus sakei Lactobacillus bifermentans (ex Pette and van Beynum 1943) Kandler et al. 1983 33:896 Lactobacillus brevis (Orla-Jensen 1919) Bergey et al. 1934 30:310 (AL) Lactobacillus buchneri (Henneberg 1903) Bergey et al. 1923 30:310 (AL) Lactobacillus bulgaricus -> Lactobacillus delbrueckii subsp. bulgaricus Lactobacillus carnis => Carnobacterium piscicola Lactobacillus casei (Orla-Jensen 1916) Hansen and Lessel 1971 30:310 (AL) Lactobacillus casei subsp. alactosus => Lactobacillus paracasei subsp. paracasei Lactobacillus casei subsp. casei see: Lactobacillus casei Lactobacillus casei subsp. pseudoplantarum => Lactobacillus paracasei subsp. paracasei Lactobacillus casei subsp. rhamnosus -> Lactobacillus rhamnosus Lactobacillus casei subsp. tolerans -> Lactobacillus paracasei subsp. tolerans Lactobacillus catenaformis (Eggerth 1935) Moore and Holdeman 1970 30:311 (AL) Lactobacillus cellobiosus => Lactobacillus fermentum Lactobacillus coleohominis Nikolaitchouk et al. 2001 51:2084* Lactobacillus collinoides Carr and Davies 1972 30:311 (AL) Lactobacillus concavus Tong and Dong 2005 55:2201* Lactobacillus confusus -> Weissella confusa Lactobacillus coryniformis Abo-Elnaga and Kandler 1965 30:311 (AL) Lactobacillus coryniformis subsp. coryniformis Abo-Elnaga and Kandler 1965 30:311 (AL) Lactobacillus coryniformis subsp. torquens Abo-Elnaga and Kandler 1965 30:311 (AL) Lactobacillus crispatus (Brygoo and Aladame 1953) Moore and Holdeman 1970 30:311 (AL) Lactobacillus curvatus (Troili-Petersson 1903) Abo-Elnaga and Kandler 1965 emend. Klein et al. 1996 30:312 (AL) Lactobacillus curvatus subsp. curvatus (Troili-Petersson 1903) Abo-Elnaga and Kandler 1965 emend. Klein et al. 1996 46:1162* Lactobacillus curvatus subsp. melibiosus => Lactobacillus sakei subsp. carnosus Lactobacillus cypricasei => Lactobacillus acidipiscis Lactobacillus delbrueckii (Leichmann 1896) Beijerinck 1901 30:312 (AL) Lactobacillus delbrueckii subsp. bulgaricus (Orla-Jensen 1919) Weiss et al. 1984 34:270 Lactobacillus delbrueckii subsp. delbrueckii (Leichmann 1896) Beijerinck 1901 34:270 Lactobacillus delbrueckii subsp. indicus Dellaglio et al. 2005 55:403* Lactobacillus delbrueckii subsp. lactis (Orla-Jensen 1919) Weiss et al. 1984 34:270 Lactobacillus diolivorans Krooneman et al. 2002 52:645* Lactobacillus divergens -> Carnobacterium divergens Lactobacillus durianis => Lactobacillus vaccinostercus Lactobacillus equi Morotomi et al. 2002 52:214* Lactobacillus farciminis (ex Reuter 1970) Reuter 1983 33:672 Lactobacillus ferintoshensis => Lactobacillus parabuchneri Lactobacillus fermentum Beijerinck 1901 emend. Dellaglio et al. 2004 30:312 (AL) Lactobacillus fornicalis Dicks et al. 2000 50:1258* Lactobacillus fructivorans Charlton et al. 1934 30:312 (AL) Lactobacillus fructosus -> Leuconostoc fructosum Lactobacillus frumenti Mller et al. 2000 50:2132* Lactobacillus fuchuensis Sakala et al. 2002 52:1153* Lactobacillus gallinarum Fujisawa et al. 1992 42:489* Lactobacillus gasseri Lauer and Kandler 1980 30:601 Lactobacillus gastricus Roos et al. 2005 55:80* Lactobacillus graminis Beck et al. 1989 39:93 Lactobacillus halotolerans -> Weissella halotolerans Lactobacillus hammesii Valcheva et al. 2005 55:766* Lactobacillus hamsteri Mitsuoka and Fujisawa 1988 38:220 Lactobacillus harbinensis Miyamoto et al. 2006 56:2 Lactobacillus helveticus (Orla-Jensen 1919) Bergey et al. 1925 30:312 (AL) Lactobacillus heterohiochii => Lactobacillus fructivorans Lactobacillus hilgardii Douglas and Cruess 1936 30:312 (AL) Lactobacillus homohiochii Kitahara et al. 1957 30:312 (AL) Lactobacillus iners Falsen et al. 1999 49:220* Lactobacillus ingluviei Baele et al. 2003 53:136* Lactobacillus intestinalis (ex Hemme 1974) Fujisawa et al. 1990 40:303* Lactobacillus jensenii Gasser et al. 1970 30:312 (AL) Lactobacillus johnsonii Fujisawa et al. 1992 42:489* Lactobacillus kalixensis Roos et al. 2005 55:81* Lactobacillus kandleri -> Weissella kandleri Lactobacillus kefiranofaciens see: Lactobacillus kefiranofaciens subsp. kefiranofaciens Lactobacillus kefiranofaciens subsp. kefiranofaciens Fujisawa et al. 1988 38:12* Lactobacillus kefiranofaciens subsp. kefirgranum (Takizawa et al. 1994) Vancanneyt et al. 2004 54:555* Lactobacillus kefirgranum -> Lactobacillus kefiranofaciens subsp. kefirgranum Lactobacillus kefiri Kandler and Kunath 1983 (corrig.) 33:672 Lactobacillus kimchii Yoon et al. 2000 50:1794* Lactobacillus kitasatonis Mukai et al. 2003 53:2058* Lactobacillus kunkeei Edwards et al. 1998 48:1083 Lactobacillus lactis -> Lactobacillus delbrueckii subsp. lactis Lactobacillus leichmannii => Lactobacillus delbrueckii subsp. lactis Lactobacillus lindneri (ex Henneberg 1901) Back et al. 1997 47:601 Lactobacillus malefermentans (ex Russell and Walker 1953) Farrow et al. 1989 39:371 Lactobacillus mali Carr and Davies 1970 30:313 (AL) Lactobacillus maltaromicus -> Carnobacterium maltaromaticum Lactobacillus manihotivorans Morlon-Guyot et al. 1998 48:1107* Lactobacillus mindensis Ehrmann et al. 2003 53:12* Lactobacillus minor -> Weissella minor Lactobacillus minutus -> Atopobium minutum Lactobacillus mucosae Roos et al. 2000 50:256* Lactobacillus murinus Hemme et al. 1982 32:384 Lactobacillus nagelii Edwards et al. 2000 50:700* Lactobacillus nantensis Valcheva et al. 2006 56:590* Lactobacillus oligofermentans Koort et al. 2005 55:2236 Lactobacillus oris Farrow and Collins 1988 38:116* Lactobacillus panis Wiese et al. 1996 46:452* Lactobacillus pantheris Liu and Dong 2002 52:1747* Lactobacillus parabrevis Vancanneyt et al. 2006 56:1556* Lactobacillus parabuchneri Farrow et al. 1989 39:371 Lactobacillus paracasei Collins et al. 1989 39:107* Lactobacillus paracasei subsp. paracasei Collins et al. 1989 39:107* Lactobacillus paracasei subsp. tolerans (Abo-Elnaga and Kandler 1965) Collins et al. 1989 39:108* Lactobacillus paracollinoides Suzuki et al. 2004 54:116* Lactobacillus parakefiri Takizawa et al. 1994 (corrig.) 44:439* Lactobacillus paralimentarius Cai et al. 1999 49:1455* Lactobacillus paraplantarum Curk et al. 1996 46:598* Lactobacillus pentosus (ex Fred et al. 1921) Zanoni et al. 1987 37:339* Lactobacillus perolens Back et al. 2000 50:3 Lactobacillus piscicola -> Carnobacterium piscicola Lactobacillus plantarum (Orla-Jensen 1919) Bergey et al. 1923 30:313 (AL) Lactobacillus plantarum subsp. argentoratensis Bringel et al. 2005 55:1634* Lactobacillus plantarum subsp. plantarum (Orla-Jensen 1919) Bergey et al. 1923 55:1633* Lactobacillus pontis Vogel et al. 1994 44:228* Lactobacillus psittaci Lawson et al. 2001 51:969* Lactobacillus rennini Chenoll et al. 2006 56:452* Lactobacillus reuteri Kandler et al. 1982 32:266 Lactobacillus rhamnosus (Hansen 1968) Collins et al. 1989 39:108* Lactobacillus rimae -> Atopobium rimae Lactobacillus rogosae Holdeman and Moore 1974 30:313 (AL) Lactobacillus rossiae Corsetti et al. 2005 (corrig.) 55:39* Lactobacillus rossii see: Lactobacillus rossiae Lactobacillus ruminis Sharpe et al. 1973 30:313 (AL) Lactobacillus saerimneri Pedersen and Roos 2004 54:1367* Lactobacillus sake subsp. carnosus see: Lactobacillus sakei subsp. carnosus Lactobacillus sake subsp. sake see: Lactobacillus sakei subsp. sakei Lactobacillus sakei Katagiri et al. 1934 emend. Klein et al. 1996 (corrig.) 30:313 (AL) Lactobacillus sakei subsp. carnosus Torriani et al. 1996 (corrig.) 46:1162* Lactobacillus sakei subsp. sakei Katagiri et al. 1934 emend. Klein et al. 1996 (corrig.) 30:313 (AL) Lactobacillus salivarius Rogosa et al. 1953 emend. Li et al. 2006 30:313 (AL) Lactobacillus salivarius -> Lactobacillus salivarius subsp. salivarius Lactobacillus salivarius subsp. salicinius -> Lactobacillus salivarius Lactobacillus salivarius subsp. salivarius -> Lactobacillus salivarius Lactobacillus sanfranciscensis (ex Kline and Sugihara 1971) Weiss and Schillinger 1984 (corrig.) 34:503 Lactobacillus satsumensis Endo and Okada 2005 55:85* Lactobacillus sharpeae Weiss et al. 1982 32:266 Lactobacillus siliginis Aslam et al. 2006 56:2212* Lactobacillus sobrius Konstantinov et al. 2006 56:31* Lactobacillus spicheri Meroth et al. 2004 54:631 Lactobacillus suebicus Kleynmans et al. 1989 39:495 Lactobacillus suntoryeus => Lactobacillus helveticus Lactobacillus thermotolerans => Lactobacillus ingluviei Lactobacillus trichodes => Lactobacillus fructivorans Lactobacillus uli -> Olsenella uli Lactobacillus ultunensis Roos et al. 2005 55:82* Lactobacillus vaccinostercus Kozaki and Okada 1983 emend. Dellaglio et al.2006 33:438 Lactobacillus vaginalis Embley et al. 1989 39:368* Lactobacillus versmoldensis Kr”ckel et al. 2003 53:516* Lactobacillus vini Rodas et al. 2006 56:516* Lactobacillus viridescens -> Weissella viridescens Lactobacillus viridescens subsp. halotolerans -> Weissella halotolerans Lactobacillus viridescens subsp. minor -> Weissella minor Lactobacillus vitulinus Sharpe et al. 1973 30:314 (AL) Lactobacillus xylosus => Lactococcus lactis subsp. lactis Lactobacillus yamanashiensis => Lactobacillus mali Lactobacillus zeae (ex Kuznetsov 1959) Dicks et al. 1996 46:340* Lactobacillus zymae Vancanneyt et al. 2005 55:620* LACTOCOCCUS Schleifer et al. 1986 36:354 Lactococcus garvieae (Collins et al. 1984) Schleifer et al. 1986 36:354 Lactococcus lactis (Lister 1973) Schleifer et al. 1986 36:354 Lactococcus lactis subsp. cremoris (Orla-Jensen 1919) Schleifer et al. 1986 36:354 Lactococcus lactis subsp. hordniae (ex Latorre-Guzman et al. 1977) Schleifer et al. 1986 36:354 Lactococcus lactis subsp. lactis (Lister 1873) Schleifer et al. 1986 36:354 Lactococcus piscium Williams et al. 1990 40:320 Lactococcus plantarum (Collins et al. 1984) Schleifer et al. 1986 36:354 Lactococcus raffinolactis (Orla-Jensen and Hansen 1932) Schleifer et al. 1988 38:220 LACTOSPHAERA => TRICHOCOCCUS Lactosphaera pasteurii -> Trichococcus pasteurii LACTOVUM Matthies et al. 2005 55:547 Lactovum miscens Matthies et al. 2005 55:547 LAMPROBACTER Gorlenko et al. 1988 38:220 Lamprobacter modestohalophilus Gorlenko et al. 1988 38:220 LAMPROCYSTIS Schroeter 1886 emend. Imhoff 2001 30:314 (AL) Lamprocystis purpurea (Eichler and Pfennig 1989) Imhoff 2001 51:1700* Lamprocystis roseopersicina (Kutzing 1849) Schroeter 1886 30:314 (AL) LAMPROPEDIA Schroeter 1886 emend. Lee et al. 2004 30:314 (AL) Lampropedia hyalina (Ehrenberg 1832) Schroeter 1886 emend. Xie and Yokota 2003 emend. Lee et al. 2004 30:314 (AL) LARIBACTER Yuen et al. 2002 52:1437 Laribacter hongkongensis Yuen et al. 2002 52:1437 LARKINELLA Vancanneyt et al. 2006 56:239* Larkinella insperata Vancanneyt et al. 2006 56:240* LAUTROPIA Gerner-Smidt et al. 1995 45:418 Lautropia mirabilis Gerner-Smidt et al. 1995 45:418 LAWSONIA McOrist et al. 1995 45:824* Lawsonia intracellularis McOrist et al. 1995 45:824* LEADBETTERELLA Weon et al. 2005 55:2299* Leadbetterella byssophila Weon et al. 2005 55:2301* LEBETIMONAS Takai et al. 2005 55:188* Lebetimonas acidiphila Takai et al. 2005 55:188* LECHEVALIERIA Labeda et al. 2001 51:1049* Lechevalieria aerocolonigenes (Labeda 1986) Labeda et al. 2001 51:1050* Lechevalieria flava (Gauze et al. 1974) Labeda et al. 2001 51:1050* LECLERCIA Tamura et al. 1987 37:179 Leclercia adecarboxylata (Leclerc 1962) Tamura et al. 1987 37:179 LEEUWENHOEKIELLA Nedashkovskaya et al. 2005 55:1035* Leeuwenhoekiella aequorea Nedashkovskaya et al. 2005 55:1036* Leeuwenhoekiella blandensis Pinhassi et al. 2006 56:1492* Leeuwenhoekiella marinoflava (Reichenbach 1989) Nedashkovskaya et al. 2005 55:1036* LEGIONELLA Brenner et al. 1979 30:314 (AL) Legionella adelaidensis Benson et al. 1991 41:580 Legionella anisa Gorman et al. 1985 35:375 Legionella beliardensis Lo Presti et al. 2001 51:1956* Legionella birminghamensis Wilkinson et al. 1988 38:220 Legionella bozemanae (corrig.) -> Fluoribacter bozemanae Legionella bozemanii see: Legionella bozemanae Legionella brunensis Wilkinson et al. 1989 39:205 Legionella busanensis Park et al. 2003 53:79* Legionella cherrii Brenner et al. 1985 35:50* Legionella cincinnatiensis Thacker et al. 1989 39:205 Legionella drancourtii La Scola et al. 2004 54:703* Legionella drozanskii Adeleke et al. 2001 51:1158* Legionella dumoffii -> Fluoribacter dumoffii Legionella erythra Brenner et al. 1985 35:50* Legionella fairfieldensis Thacker et al. 1991 41:580 Legionella fallonii Adeleke et al. 2001 51:1158* Legionella feeleii Herwaldt et al. 1984 34:355 Legionella geestiana Dennis et al. 1993 43:335* Legionella gormanii -> Fluoribacter gormanii Legionella gratiana Bornstein et al. 1991 41:580 Legionella gresilensis Lo Presti et al. 2001 51:1956* Legionella hackeliae Brenner et al. 1985 35:50* Legionella israelensis Bercovier et al. 1986 36:368* Legionella jamestowniensis Brenner et al. 1985 35:50* Legionella jordanis Cherry et al. 1982 32:384 Legionella lansingensis Thacker et al. 1994 44:595 Legionella londiniensis Dennis et al. 1993 43:335* Legionella longbeachae McKinney et al. 1982 32:266 Legionella lytica (Drozanski 1991) Hookey et al. 1996 46:529* Legionella maceachernii -> Tatlockia maceachernii Legionella micdadei = Tatlockia micdadei Legionella moravica Wilkinson et al. 1989 39:205 Legionella nautarum Dennis et al. 1993 43:335* Legionella oakridgensis Orrison et al. 1983 33:672 Legionella parisiensis Brenner et al. 1985 35:50* Legionella pittsburghensis = Tatlockia micdadei Legionella pneumophila Brenner et al. 1979 30:314 (AL) Legionella pneumophila subsp. fraseri Brenner et al. 1989 39:205 Legionella pneumophila subsp. pascullei Brenner et al. 1989 39:205 Legionella pneumophila subsp. pneumophila Brenner et al. 1979 39:205 Legionella quateirensis Dennis et al. 1993 43:336* Legionella quinlivanii Benson et al. 1990 40:105 Legionella rowbothamii Adeleke et al. 2001 51:1158* Legionella rubrilucens Brenner et al. 1985 35:50* Legionella sainthelensi Campbell et al. 1984 34:355 Legionella santicrucis Brenner et al. 1985 35:50* Legionella shakespearei Verma et al. 1992 42:406* Legionella spiritensis Brenner et al. 1985 35:50* Legionella steigerwaltii Brenner et al. 1985 35:50* Legionella taurinensis Lo Presti et al. 1999 49:401* Legionella tucsonensis Thacker et al. 1990 40:105 Legionella wadsworthii Edelstein et al. 1983 33:672 Legionella waltersii Benson et al. 1996 46:633* Legionella worsleiensis Dennis et al. 1993 43:336* LEIFSONIA Evtushenko et al. 2000 50:377* Leifsonia aquatica (ex Leifson 1962) Evtushenko et al. 2000 50:377* Leifsonia aurea Reddy et al. 2003 53:983* Leifsonia cynodontis = Leifsonia xyli subsp. cynodontis Leifsonia naganoensis Suzuki et al. 2000 50:1415 Leifsonia poae Evtushenko et al. 2000 50:378* Leifsonia rubra Reddy et al. 2003 53:782* Leifsonia shinshuensis Suzuki et al. 2000 50:1415 Leifsonia xyli Leifsonia xyli subsp. xyli Leifsonia xyli subsp. cynodontis (Davis et al. 1984) Evtushenko et al. 2000 50:378* Leifsonia xyli subsp. xyli (Davis et al. 1984) Evtushenko et al. 2000 50:378* LEISINGERA Schaefer et al. 2002 emend. Martens et al. 2006 52:857* Leisingera methylohalidivorans Schaefer et al. 2002 52:857* LEMINORELLA Hickman-Brenner et al. 1985 35:375 Leminorella grimontii Hickman-Brenner et al. 1985 35:375 Leminorella richardii Hickman-Brenner et al. 1985 35:375 LENTIBACILLUS Yoon et al. 2002 emend. Jeon et al. 2005 52:2047* Lentibacillus halophilus Tanasupawat et al. 2006 56:1862* Lentibacillus juripiscarius Namwong et al. 2005 55:319* Lentibacillus lacisalsi Lim et al. 2005 55:1808* Lentibacillus salarius Jeon et al. 2005 55:1342* Lentibacillus salicampi Yoon et al. 2002 52:2047* LENTISPHAERA Cho et al. 2004 54:1005 Lentisphaera araneosa Cho et al. 2004 54:1005 LENTZEA Yassin et al. 1995 emend. Labeda et al. 2001 45:362* Lentzea albida Labeda et al. 2001 51:1049* Lentzea albidocapillata Yassin et al. 1995 45:362* Lentzea californiensis Labeda et al. 2001 51:1049* Lentzea flaviverrucosa (ex Yan and Deng 1966) Xie et al. 2002 52:1818* Lentzea violacea (Lee et al. 2000) Labeda et al. 2001 51:1049* Lentzea waywayandensis (Labeda and Lyons 1989) Labeda et al. 2001 51:1049* LEPTOLINEA Yamada et al. 2006 56:1339* Leptolinea tardivitalis Yamada et al. 2006 56:1339* LEPTONEMA Hovind-Hougen 1983 33:439 Leptonema illini Hovind-Hougen 1983 33:439 LEPTOSPIRA Noguchi 1917 30:314 (AL) Leptospira alexanderi Brenner et al. 1999 49:856* Leptospira biflexa (Wolbach and Binger 1914) Noguchi 1918 emend. Faine and Stallman 1982 30:314 (AL) Leptospira borgpetersenii Yasuda et al. 1987 37:407* Leptospira broomii Levett et al. 2006 56:673* Leptospira fainei Perolat et al. 1998 48:857* Leptospira inadai Yasuda et al. 1987 37:407* Leptospira interrogans (Stimson 1907) Wenyon 1926 emend. Faine and Stallman 1982 30:314 (AL) Leptospira kirschneri Ramadass et al. 1992 42:219* Leptospira meyeri Yasuda et al. 1987 37:407* Leptospira noguchii Yasuda et al. 1987 37:407* Leptospira parva -> Turneriella parva Leptospira santarosai Yasuda et al. 1987 37:407* Leptospira weilii Yasuda et al. 1987 37:407* Leptospira wolbachii Yasuda et al. 1987 37:407* LEPTOSPIRILLUM (ex Markosyan 1972) Hippe 2000 50:502* Leptospirillum ferriphilum Coram and Rawlings 2002 52:1075 Leptospirillum ferrooxidans (ex Markosyan 1972) Hippe 2000 50:502* Leptospirillum thermoferrooxidans Hippe 2000 50:502* LEPTOTHRIX Kutzing 1843 30:314 (AL) Leptothrix cholodnii Mulder and van Veen 1963 30:315 (AL) Leptothrix discophora (ex Schwers 1912) Spring et al. 1997 47:601 Leptothrix lopholea Dorff 1934 30:315 (AL) Leptothrix mobilis Spring et al. 1997 47:601 Leptothrix ochracea (Roth 1797) Kutzing 1843 30:315 (AL) LEPTOTRICHIA Trevisan 1879 30:315 (AL) Leptotrichia buccalis (Robin 1853) Trevisan 1879 30:315 (AL) Leptotrichia goodfellowii Eribe et al. 2004 54:589* Leptotrichia hofstadii Eribe et al. 2004 54:589* Leptotrichia shahii Eribe et al. 2004 54:591* Leptotrichia trevisanii Tee et al. 2002 52:686 Leptotrichia wadei Eribe et al. 2004 54:591* LEUCOBACTER Takeuchi et al. 1996 46:970* Leucobacter albus Lin et al. 2004 54:1675* Leucobacter aridicollis Morais et al. 2005 55:547 Leucobacter chromiireducens Morais et al. 2005 55:547 Leucobacter komagatae Takeuchi et al. 1996 46:970* LEUCONOSTOC van Tieghem 1878 30:315 (AL) Leuconostoc amelibiosum => Leuconostoc citreum Leuconostoc argentinum => Leuconostoc lactis Leuconostoc carnosum Shaw and Harding 1989 39:222* Leuconostoc citreum Farrow et al. 1989 39:280* Leuconostoc cremoris -> Leuconostoc mesenteroides subsp. cremoris Leuconostoc dextranicum -> Leuconostoc mesenteroides subsp. dextranicum Leuconostoc durionis Leisner et al. 2005 55:1269* Leuconostoc fallax Martinez-Murcia and Collins 1992 42:191 Leuconostoc ficulneum Antunes et al. 2002 52:653* Leuconostoc fructosum (Kodama 1956) Antunes et al. 2002 52:654* Leuconostoc gasicomitatum Bj”rkroth et al. 2001 51:263 Leuconostoc gelidum Shaw and Harding 1989 39:222* Leuconostoc inhae Kim et al. 2003 53:1126* Leuconostoc kimchii Kim et al. 2000 50:1918* Leuconostoc lactis Garvie 1960 30:315 (AL) Leuconostoc mesenteroides (Tsenkovskii 1878) van Tieghem 1878 30:315 (AL) Leuconostoc mesenteroides subsp. cremoris (Knudsen and S”rensen 1929) Garvie 1983 33:118* Leuconostoc mesenteroides subsp. dextranicum (Beijerinck 1912) Garvie 1983 33:118* Leuconostoc mesenteroides subsp. mesenteroides (Tsenkovskii 1878) van Tieghem 1878 33:118* Leuconostoc oenos -> Oenococcus oeni Leuconostoc paramesenteroides -> Weissella paramesenteroides Leuconostoc pseudoficulneum Chambel et al. 2006 56:1379* Leuconostoc pseudomesenteroides Farrow et al. 1989 39:283* LEUCOTHRIX Oersted 1844 30:315 (AL) Leucothrix mucor Oersted 1844 30:315 (AL) LEVILINEA Yamada et al. 2006 56:1338* Levilinea saccharolytica Yamada et al. 2006 56:1338* LEVINEA => CITROBACTER Levinea amalonatica -> Citrobacter amalonaticus Levinea malonatica => Citrobacter koseri LEWINELLA Sly et al. 1998 48:735* Lewinella cohaerens (Lewin 1970) Sly et al. 1998 48:735* Lewinella nigricans (Lewin 1970) Sly et al. 1998 48:736* Lewinella persicus (Lewin 1970) Sly et al. 1998 48:735* LIMNOBACTER Spring et al. 2001 51:1469* Limnobacter thiooxidans Spring et al. 2001 51:1469* LISHIZHENIA Lau et al. 2006 56:2321* Lishizhenia caseinilytica Lau et al. 2006 56:2321* LISTERIA Pirie 1940 30:316 (AL) Listeria denitrificans -> Jonesia denitrificans Listeria grayi Errebo Larsen and Seeliger 1966 30:316 (AL) Listeria innocua (ex Seeliger and Schoofs 1979) Seeliger 1983 33:439 Listeria ivanovii Seeliger et al. 1984 34:336* Listeria ivanovii subsp. ivanovii Seeliger et al. 1984 34:336* Listeria ivanovii subsp. londoniensis Boerlin et al. 1992 42:73* Listeria monocytogenes (Murray et al. 1926) Pirie 1940 30:316 (AL) Listeria murrayi => Listeria grayi Listeria seeligeri Rocourt and Grimont 1983 33:869* Listeria welshimeri Rocourt and Grimont 1983 33:867* LISTONELLA MacDonell and Colwell 1986 36:354 Listonella anguillarum (Bergeman 1909) MacDonell and Colwell 1986 36:354 Listonella damsela (corrig.) -> Photobacterium damselae subsp. damselae Listonella damselae see: Listonella damsela Listonella pelagia (Baumann et al. 1971) MacDonell and Colwell 1986 36:354 LOKTANELLA Van Trappen et al. 2004 54:1267* Loktanella agnita Ivanova et al. 2005 55:2206* Loktanella fryxellensis Van Trappen et al. 2004 54:1268* Loktanella hongkongensis Lau et al. 2004 54:2283* Loktanella koreensis Weon et al. 2006 56:2200* Loktanella rosea Ivanova et al. 2005 55:2206* Loktanella salsilacus Van Trappen et al. 2004 54:1268* Loktanella vestfoldensis Van Trappen et al. 2004 54:1268* LONEPINELLA Osawa et al. 1996 46:362 Lonepinella koalarum Osawa et al. 1996 46:362 LONGISPORA Matsumoto et al. 2003 53:1558* Longispora albida Matsumoto et al. 2003 53:1558* LUCIBACTERIUM -> VIBRIO Lucibacterium harveyi -> Vibrio harveyi LUTEIBACTER Johansen et al. 2005 55:2289* Luteibacter rhizovicinus Johansen et al. 2005 55:2289* LUTEIMONAS Finkmann et al. 2000 50:280* Luteimonas mephitis Finkmann et al. 2000 50:280* LUTEOCOCCUS Tamura et al. 1994 emend. Collins et al. 2000 44:355* Luteococcus japonicus Tamura et al. 1994 44:355* Luteococcus peritonei Collins et al. 2000 50:181* Luteococcus sanguinis Collins et al. 2003 53:1891* LUTIBACTER Choi and Cho 2006 56:773* Lutibacter litoralis Choi and Cho 2006 56:775* LYSOBACTER Christensen and Cook 1978 30:316 (AL) Lysobacter antibioticus Christensen and Cook 1978 30:316 (AL) Lysobacter brunescens Christensen and Cook 1978 30:316 (AL) Lysobacter concretionis Bae et al. 2005 55:1160* Lysobacter daejeonensis Weon et al. 2006 56:950* Lysobacter enzymogenes Christensen and Cook 1978 30:317 (AL) Lysobacter enzymogenes subsp. enzymogenes Christensen and Cook 1978 30:317 (AL) Lysobacter gummosus Christensen and Cook 1978 30:317 (AL) Lysobacter koreensis Lee et al. 2006 56:234* Lysobacter yangpyeongensis Weon et al. 2006 56:950* LYTICUM (ex Preer et al. 1974) Preer and Preer 1982 32:140* Lyticum flagellatum (ex Preer et al. 1974) Preer and Preer 1982 32:140* Lyticum sinuosum (ex Preer et al. 1974) Preer and Preer 1982 32:140* MACROCOCCUS Kloos et al. 1998 48:871* Macrococcus bovicus Kloos et al. 1998 48:874* Macrococcus brunensis Mannerova et al. 2003 53:1653* Macrococcus carouselicus Kloos et al. 1998 48:874* Macrococcus caseolyticus (Schleifer et al. 1982) Kloos et al. 1998 48:871* Macrococcus equipercicus Kloos et al. 1998 48:873* Macrococcus hajekii Mannerova et al. 2003 53:1653* Macrococcus lamae Mannerova et al. 2003 53:1653* MACROMONAS Utermohl and Koppe 1924 30:317 (AL) Macromonas bipunctata Dubinina and Grabovich 1989 39:496 Macromonas mobilis (Lauterborn 1915) Utermohl and Koppe 1924 30:317 (AL) MAGNETOSPIRILLUM Schleifer et al. 1992 42:191 Magnetospirillum gryphiswaldense Schleifer et al. 1992 42:191 Magnetospirillum magnetotacticum (Maratea and Blakemore 1981) Schleifer et al. 1992 42:191 MAHELLA Bonilla Salinas et al. 2004 54:2172* Mahella australiensis Bonilla Salinas et al. 2004 54:2172 MALIKIA Spring et al. 2005 55:627* Malikia granosa Spring et al. 2005 55:628* Malikia spinosa (Leifson 1962) Spring et al. 2005 55:628* MALONOMONAS Dehning and Schink 1990 40:320 Malonomonas rubra Dehning and Schink 1990 40:320 MANNHEIMIA Angen et al. 1999 49:82* Mannheimia glucosida Angen et al. 1999 49:83* Mannheimia granulomatis (Ribeiro et al. 1990) Angen et al. 1999 49:82* Mannheimia haemolytica (Newsome and Cross 1932) Angen et al. 1999 49:82* Mannheimia ruminalis Angen et al. 1999 49:83* Mannheimia varigena Angen et al. 1999 49:83* MARIBACTER Nedashkovskaya et al. 2004 54:1021* Maribacter aquivivus Nedashkovskaya et al. 2004 54:1022* Maribacter dokdonensis Yoon et al. 2005 55:2055* Maribacter orientalis Nedashkovskaya et al. 2004 54:1022* Maribacter sedimenticola Nedashkovskaya et al. 2004 54:1021* Maribacter ulvicola Nedashkovskaya et al. 2004 54:1022* MARICAULIS Abraham et al. 1999 49:1071* Maricaulis maris (Poindexter 1964) Abraham et al. 1999 49:1071* Maricaulis parjimensis Abraham et al. 2002 52:2199* Maricaulis salignorans Abraham et al. 2002 52:2199* Maricaulis virginensis Abraham et al. 2002 52:2200* Maricaulis washingtonensis Abraham et al. 2002 52:2200* MARICHROMATIUM Imhoff et al. 1998 48:1140* Marichromatium gracile (Strzeszewski 1913) Imhoff et al. 1998 48:1140* Marichromatium indicum Arunasri et al. 2005 55:678* Marichromatium purpuratum (Imhoff and Trper 1980) Imhoff et al. 1998 48:1140* MARINIBACILLUS Yoon et al. 2001 emend. Yoon et al. 2004 51:2092* Marinibacillus campisalis Yoon et al. 2004 54:1320* Marinibacillus marinus (Rger and Richter 1979) Yoon et al. 2001 51:2092* MARINICOLA => ROSEIVIRGA Marinicola seohaensis -> Roseivirga seohaensis MARINIFLEXILE Nedashkovskaya et al. 2006 56:1636* Mariniflexile gromovii Nedashkovskaya et al. 2006 56:1636* MARINILABILIA Nakagawa and Yamasato 1996 46:600* Marinilabilia agarovorans => Marinilabilia salmonicolor Marinilabilia salmonicolor (Veldkamp 1961) Nakagawa and Yamasato 1996 emend. Suzuki et al. 1999 46:600* MARINILACTIBACILLUS Ishikawa et al. 2003 53:719* Marinilactibacillus piezotolerans Toffin et al. 2005 55:349* Marinilactibacillus psychrotolerans Ishikawa et al. 2003 53:719* MARINIMICROBIUM Lim et al. 2006 56:656* Marinimicrobium agarilyticum Lim et al. 2006 56:657* Marinimicrobium koreense Lim et al. 2006 56:656* MARINITHERMUS Sako et al. 2003 53:63* Marinithermus hydrothermalis Sako et al. 2003 53:64* MARINITOGA Wery et al. 2001 51:502* Marinitoga camini Wery et al. 2001 51:502* Marinitoga hydrogenitolerans Postec et al. 2005 55:1220* Marinitoga piezophila Alain et al. 2002 52:1337* MARINOBACTER Gauthier et al. 1992 42:574* Marinobacter algicola Green et al. 2006 56:527* Marinobacter aquaeolei => Marinobacter hydrocarbonoclasticus Marinobacter bryozoorum Romanenko et al. 2005 55:147* Marinobacter daepoensis Yoon et al. 2004 54:1802* Marinobacter excellens Gorshkova et al. 2003 53:2077* Marinobacter flavimaris Yoon et al. 2004 54:1802* Marinobacter hydrocarbonoclasticus Gauthier et al. 1992 42:574* Marinobacter lipolyticus Martin et al. 2003 53:1386* Marinobacter litoralis Yoon et al. 2003 53:567* Marinobacter lutaoensis Shieh et al. 2003 53:1701 Marinobacter maritimus Shivaji et al. 2005 55:1455* Marinobacter sediminum Romanenko et al. 2005 55:147* MARINOBACTERIUM Gonz lez et al. 1997 47:375* Marinobacterium georgiense Gonz lez et al. 1997 emend. Satomi et al. 2002 47:375* Marinobacterium jannaschii (Bowditch et al. 1984) Satomi et al. 2002 52:745* Marinobacterium stanieri (Baumann et al. 1983) Satomi et al. 2002 52:746* MARINOCOCCUS Hao et al. 1985 35:535 Marinococcus albus Hao et al. 1985 35:535 Marinococcus halophilus (Novitsky and Kushner 1976) Hao et al. 1985 35:535 Marinococcus halotolerans Li et al. 2005 55:1804* Marinococcus hispanicus -> Salinicoccus hispanicus MARINOMONAS van Landschoot and De Ley 1984 34:91 Marinomonas aquimarina Maci n et al. 2005 (corrig.) 55:983 Marinomonas communis (Baumann et al. 1972) van Landschoot and De Ley 1984 34:91 Marinomonas dokdonensis Yoon et al. 2005 55:2306* Marinomonas mediterranea Solano and Sanchez-Amat 1999 49:1245* Marinomonas ostreistagni Lau et al. 2006 56:2274* Marinomonas polaris Gupta et al. 2006 56:364* Marinomonas pontica Ivanova et al. 2005 55:278* Marinomonas primoryensis Romanenko et al. 2003 53:831* Marinomonas ushuaiensis Prabagaran et al. 2005 55:312* Marinomonas vaga (Baumann et al. 1972) van Landschoot and De Ley 1984 34:91 MARINOSPIRILLUM Satomi et al. 1998 48:1346* Marinospirillum alkaliphilum Zhang et al. 2002 52:1437 Marinospirillum insulare Satomi et al. 2004 54:166* Marinospirillum megaterium Satomi et al. 1998 48:1346* Marinospirillum minutulum (Watanabe 1959) Satomi et al. 1998 48:1346* MARINOVUM Martens et al. 2006 56:1302* Marinovum algicola (Lafay et al. 1995) Martens et al. 2006 56:1302* MARMORICOLA Urz et al. 2000 50:534* Marmoricola aurantiacus Urz et al. 2000 50:534* MARTELELLA Rivas et al. 2005 55:958* Martelella mediterranea Rivas et al. 2005 55:958* MASSILIA La Scola et al. 2000 50:423 Massilia albidiflava Zhang et al. 2006 56:462* Massilia aurea Gallego et al. 2006 56:2451* Massilia dura Zhang et al. 2006 56:462* Massilia lutea Zhang et al. 2006 56:463* Massilia plicata Zhang et al. 2006 56:463* Massilia timonae La Scola et al. 2000 emend. Lindquist et al. 2003 50:423 MEGAMONAS Shah and Collins 1983 33:438 Megamonas hypermegale (Harrison and Hansen 1963) Shah and Collins 1983 (corrig.) 33:438 Megamonas hypermegas see: Megamonas hypermegale MEGANEMA Thomsen et al. 2006 56:1867* Meganema perideroedes Thomsen et al. 2006 56:1867* MEGASPHAERA Rogosa 1971 emend. Marchandin et al. 2003 30:317 (AL) Megasphaera cerevisiae Engelmann and Weiss 1986 36:355 Megasphaera elsdenii (Gutierrez et al. 1959) Rogosa 1971 30:317 (AL) Megasphaera micronuciformis Marchandin et al. 2003 53:552* Megasphaera paucivorans Juvonen and Suihko 2006 56:700* Megasphaera sueciensis Juvonen and Suihko 2006 56:700* MEIOTHERMUS Nobre et al. 1996 46:605* Meiothermus cerbereus Chung et al. 1997 47:1229* Meiothermus chliarophilus (Tenreiro et al. 1995) Nobre et al. 1996 46:605* Meiothermus ruber (Loginova et al. 1984) Nobre et al. 1996 46:605* Meiothermus silvanus (Tenreiro et al. 1995) Nobre et al. 1996 46:605* Meiothermus taiwanensis Chen et al. 2002 52:1653* Meiothermus timidus Pires et al. 2005 55:1396 MELISOCOCCUS see: MELISSOCOCCUS Melisococcus plutonis see: Melissococcus plutonius MELISSOCOCCUS Bailey and Collins 1983 33:672 Melissococcus plutonius (ex White 1912) Bailey and Collins 1983 (corrig.) 33:672 MELITTANGIUM Jahn 1924 30:317 (AL) Melittangium alboraceum (Peterson 1959) McCurdy 1971 30:317 (AL) Melittangium boletus Jahn 1924 30:317 (AL) Melittangium lichenicola (Thaxter 1892) McCurdy 1971 30:317 (AL) MENISCUS Irgens 1977 30:317 (AL) Meniscus glaucopis Irgens 1977 30:317 (AL) MESONIA Nedashkovskaya et al. 2003 emend. Nedashovskaya et al. 2006 53:1970* Mesonia algae Nedashkovskaya et al. 2003 53:1970* Mesonia mobilis Nedashkovskaya et al. 2006 56:2435* MESOPHILOBACTER Nishimura et al. 1989 39:380* Mesophilobacter marinus Nishimura et al. 1989 39:380* MESOPLASMA Tully et al. 1993 43:380* Mesoplasma chauliocola Tully et al. 1994 44:691* Mesoplasma coleopterae Tully et al. 1994 44:692* Mesoplasma corruscae Tully et al. 1994 44:691* Mesoplasma entomophilum (Tully et al. 1988) Tully et al. 1993 43:380* Mesoplasma florum (McCoy et al. 1984) Tully et al. 1993 43:380* Mesoplasma grammopterae Tully et al. 1994 44:691* Mesoplasma lactucae (Rose et al. 1990) Tully et al. 1993 43:380* Mesoplasma photuris Tully et al. 1994 44:691* Mesoplasma pleciae -> Acholeplasma pleciae Mesoplasma seiffertii (Bonnet et al. 1991) Tully et al. 1993 43:380* Mesoplasma syrphidae Tully et al. 1994 44:691* Mesoplasma tabanidae Tully et al. 1994 44:692* MESORHIZOBIUM Jarvis et al. 1997 47:897* Mesorhizobium amorphae Wang et al. 1999 49:63* Mesorhizobium chacoense Vel zquez et al. 2001 51:1019* Mesorhizobium ciceri (Nour et al. 1994) Jarvis et al. 1997 47:897* Mesorhizobium huakuii (Chen et al. 1991) Jarvis et al. 1997 47:897* Mesorhizobium loti (Jarvis et al. 1982) Jarvis et al. 1997 47:898* Mesorhizobium mediterraneum (Nour et al. 1995) Jarvis et al. 1997 47:898* Mesorhizobium plurifarium de Lajudie et al. 1998 48:380* Mesorhizobium septentrionale Gao et al. 2004 54:2011* Mesorhizobium temperatum Gao et al. 2004 54:2011 Mesorhizobium thiogangeticum Ghosh and Roy 2006 56:96* Mesorhizobium tianshanense (Chen et al. 1995) Jarvis et al. 1997 47:898* METALLOSPHAERA Huber et al. 1989 39:496 Metallosphaera hakonensis (Takayanagi et al. 1996) Kurosawa et al. 2003 53:1608* Metallosphaera prunae Fuchs et al. 1996 46:625 Metallosphaera sedula Huber et al. 1989 39:496 METHANIMICROCOCCUS Sprenger et al. 2000 (corrig.) 50:1998* Methanimicrococcus blatticola Sprenger et al. 2000 (corrig.) 50:1998* METHANOBACTERIUM Kluyver and van Niel 1936 30:317 (AL) Methanobacterium aarhusense Shlimon et al. 2004 54:763* Methanobacterium alcaliphilum Worakit et al. 1986 36:380* Methanobacterium arbophilicum -> Methanobrevibacter arboriphilicus Methanobacterium beijingense Ma et al. 2005 55:329* Methanobacterium bryantii Balch and Wolfe 1981 31:216 Methanobacterium congolense Cuzin et al. 2001 51:492* Methanobacterium defluvii -> Methanothermobacter defluvii Methanobacterium espanolae Patel et al. 1990 40:17* Methanobacterium formicicum Schnellen 1947 30:317 (AL) Methanobacterium ivanovii Jain et al. 1988 38:136 Methanobacterium mobile -> Methanomicrobium mobile Methanobacterium oryzae Joulian et al. 2000 50:527* Methanobacterium palustre Zellner et al. 1990 40:470 Methanobacterium ruminantium -> Methanobrevibacter ruminantium Methanobacterium subterraneum Kotelnikova et al. 1998 48:365* Methanobacterium thermaggregans Blotevogel and Fischer 1988 (corrig.) 38:221 Methanobacterium thermalcaliphilum (corrig.) => Methanothermobacter thermautotrophicus Methanobacterium thermautotrophicum -> Methanothermobacter thermautotrophicus Methanobacterium thermoaggregans see: Methanobacterium thermaggregans Methanobacterium thermoalcaliphilum see: Methanobacterium thermalcaliphilum Methanobacterium thermoautotrophicum see: Methanobacterium thermautotrophicum Methanobacterium thermoflexum -> Methanothermobacter thermoflexus Methanobacterium thermoformicicum => Methanothermobacter thermautotrophicus Methanobacterium thermophilum -> Methanothermobacter thermophilus Methanobacterium uliginosum K”nig 1985 35:375 Methanobacterium wolfei -> Methanothermobacter wolfeii METHANOBREVIBACTER Balch and Wolfe 1981 31:216 Methanobrevibacter acididurans Savant et al. 2002 52:1086* Methanobrevibacter arboriphilicus (Zeikus and Henning 1975) Balch and Wolfe 1981 31:216 Methanobrevibacter curvatus Leadbetter and Breznak 1997 47:601 Methanobrevibacter cuticularis Leadbetter and Breznak 1997 47:601 Methanobrevibacter filiformis Leadbetter et al. 1998 48:1083 Methanobrevibacter gottschalkii Miller and Lin 2002 52:820* Methanobrevibacter oralis Ferrari et al. 1995 45:880 Methanobrevibacter ruminantium (Smith and Hungate 1958) Balch and Wolfe 1981 31:216 Methanobrevibacter smithii Balch and Wolfe 1981 31:216 Methanobrevibacter thaueri Miller and Lin 2002 52:820* Methanobrevibacter woesei Miller and Lin 2002 52:821* Methanobrevibacter wolinii Miller and Lin 2002 52:821* METHANOCALCULUS Ollivier et al. 1998 48:826* Methanocalculus chunghsingensis Lai et al. 2004 54:189* Methanocalculus halotolerans Ollivier et al. 1998 48:826* Methanocalculus pumilus Mori et al. 2000 50:1728* Methanocalculus taiwanensis Lai et al. 2002 52:1805* METHANOCALDOCOCCUS Whitman 2002 52:686 Methanocaldococcus fervens (Jeanthon et al. 1999) Whitman 2002 52:686 Methanocaldococcus indicus L'Haridon et al. 2003 53:1934* Methanocaldococcus infernus (Jeanthon et al. 1998) Whitman 2002 52:686 Methanocaldococcus jannaschii (Jones et al. 1984) Whitman 2002 52:686 Methanocaldococcus vulcanius (Jeanthon et al. 1999) Whitman 2002 52:686 METHANOCOCCOIDES Sowers and Ferry 1985 35:223 Methanococcoides alaskense Singh et al. 2005 55:2537* Methanococcoides burtonii Franzmann et al. 1993 43:398 Methanococcoides methylutens Sowers and Ferry 1985 35:223 METHANOCOCCUS Kluyver and van Niel 1936 emend. Barker 1936 emend. Mah and Kuhn 1984 30:318 (AL) Methanococcus aeolicus Kendall et al. 2006 56:1528* Methanococcus deltae => Methanococcus maripaludis Methanococcus fervens -> Methanocaldococcus fervens Methanococcus frisius -> Methanosarcina frisia Methanococcus halophilus -> Methanohalophilus halophilus Methanococcus igneus -> Methanotorris igneus Methanococcus infernus -> Methanocaldococcus infernus Methanococcus jannaschii -> Methanocaldococcus jannaschii Methanococcus maripaludis Jones et al. 1984 34:270 Methanococcus mazei -> Methanosarcina mazei Methanococcus thermolithotrophicus -> Methanothermococcus thermolithotrophicus Methanococcus vannielii Stadtman and Barker 1951 30:318 (AL) Methanococcus voltae Balch and Wolfe 1981 emend. Ward et al. 1989 31:216 Methanococcus vulcanius -> Methanocaldococcus vulcanius METHANOCORPUSCULUM Zellner et al. 1988 emend. Xun et al. 1989 38:136 Methanocorpusculum aggregans (Ollivier et al. 1985) Xun et al. 1989 39:110* Methanocorpusculum bavaricum Zellner et al. 1989 39:371 Methanocorpusculum labreanum Zhao et al. 1989 39:10* Methanocorpusculum parvum Zellner et al. 1988 38:136 Methanocorpusculum sinense Zellner et al. 1989 39:371 METHANOCULLEUS Maestroju n et al. 1990 40:121* Methanoculleus bourgense see: Methanoculleus bourgensis Methanoculleus bourgensis (Ollivier et al. 1986) Maestroju n et al. 1990 (corrig.) 40:121* Methanoculleus chikugoensis Dianou et al. 2001 51:1667* Methanoculleus marisnigri (Romesser et al. 1981) Maestroju n et al. 1990 40:121* Methanoculleus oldenburgensis => Methanoculleus bourgensis Methanoculleus olentangyi => Methanoculleus bourgensis Methanoculleus palmolei Zellner et al. 1998 48:1115* Methanoculleus submarinus Mikucki et al. 2003 53:1701 Methanoculleus thermophilicus see: Methanoculleus thermophilus Methanoculleus thermophilus (Rivard and Smith 1982) Maestroju n et al. 1990 emend. Spring et al. 2005 (corrig.) 40:121* METHANOFOLLIS Zellner et al. 1999 49:253* Methanofollis aquaemaris Lai and Chen 2001 51:1878* Methanofollis formosanus Wu et al. 2005 55:841* Methanofollis liminatans (Zellner et al. 1990) Zellner et al. 1999 49:253* Methanofollis tationis (Zabel et al. 1986) Zellner et al. 1999 49:253* Methanogenicum olentangyi see: Methanoculleus olentangyi METHANOGENIUM Romesser et al. 1981 emend. Maestroju n et al. 1990 emend. Spring et al. 2005 31:216 Methanogenium aggregans -> Methanocorpusculum aggregans Methanogenium bourgense -> Methanoculleus bourgensis Methanogenium cariaci Romesser et al. 1981 emend. Maestroju n et al. 1990 31:216 Methanogenium frigidum Franzmann et al. 1997 47:1071* Methanogenium frittonii => Methanoculleus thermophilus Methanogenium liminatans -> Methanofollis liminatans Methanogenium marinum Chong et al. 2003 53:1701 Methanogenium marisnigri -> Methanoculleus marisnigri Methanogenium olentangyi -> Methanoculleus olentangyi Methanogenium organophilum Widdel et al. 1989 39:93 Methanogenium tationis -> Methanofollis tationis Methanogenium thermophilicum -> Methanoculleus thermophilus METHANOHALOBIUM Zhilina and Zavarzin 1988 38:136 Methanohalobium evestigatum Zhilina and Zavarzin 1988 (corrig.) 38:136 Methanohalobium evestigatus see: Methanohalobium evestigatum METHANOHALOPHILUS Paterek and Smith 1988 38:122* Methanohalophilus halophilus (Zhilina 1984) Wilharm et al. 1991 41:561* Methanohalophilus mahii Paterek and Smith 1988 38:122* Methanohalophilus oregonense see: Methanohalophilus oregonensis Methanohalophilus oregonensis (corrig.) -> Methanolobus oregonensis Methanohalophilus portucalensis Boone et al. 1993 43:436* Methanohalophilus zhilinae -> Methanosalsum zhilinae METHANOLACINIA Zellner et al. 1990 40:470 Methanolacinia paynteri (Rivard et al. 1984) Zellner et al. 1990 40:470 METHANOLOBUS K”nig and Stetter 1983 33:439 Methanolobus bombayensis Kadam et al. 1994 44:606* Methanolobus oregonensis (Liu et al. 1990) Boone 2002 52:686 Methanolobus siciliae -> Methanosarcina siciliae Methanolobus taylorii Oremland and Boone 1994 44:574* Methanolobus tindarius K”nig and Stetter 1983 33:439 Methanolobus vulcani Stetter et al. 1989 emend. Kadam and Boone 1995 39:496 METHANOMETHYLOVORANS Lomans et al. 2004 54:307 Methanomethylovorans hollandica Lomans et al. 2004 54:307 Methanomethylovorans thermophila Jiang et al. 2005 55:2469* METHANOMICROBIUM Balch and Wolfe 1981 31:216 Methanomicrobium mobile (Paynter and Hungate 1968) Balch and Wolfe 1981 31:216 Methanomicrobium paynteri -> Methanolacinia paynteri METHANOMICROCOCCUS see: METHANIMICROCOCCUS Methanomicrococcus blatticola see: Methanimicrococcus blatticola METHANOPLANUS Wildgruber et al. 1984 34:270 Methanoplanus endosymbiosus van Bruggen et al. 1986 36:573 Methanoplanus limicola Wildgruber et al. 1984 34:270 Methanoplanus petrolearius Ollivier et al. 1998 48:1083 METHANOPYRUS Kurr et al. 1992 42:327 Methanopyrus kandleri Kurr et al. 1992 42:327 METHANOSAETA Patel and Sprott 1990 40:80* Methanosaeta concilii (Patel 1985) Patel and Sprott 1990 40:80* Methanosaeta harundinacea Ma et al. 2006 56:130* Methanosaeta thermoacetophila (Nozhevnikova and Chudina 1988) Patel and Sprott 1990 40:81* METHANOSALSUM Boone and Baker 2002 52:686 Methanosalsum zhilinae (Mathrani et al. 1988) Boone and Baker 2002 52:686 METHANOSARCINA Kluyver and van Niel 1936 emend. Mah and Kuhn 1984 emend. Ni et al. 1994 30:318 (AL) Methanosarcina acetivorans Sowers et al. 1986 36:573 Methanosarcina baltica von Klein et al. 2002 emend. Singh et al. 2005 52:686 Methanosarcina barkeri Schnellen 1947 30:318 (AL) Methanosarcina frisia => Methanosarcina mazei Methanosarcina lacustris Simankova et al. 2002 52:686 Methanosarcina mazei (Barker 1936) Mah and Kuhn 1984 34:263; 36:491 Methanosarcina methanica (Smit 1930) Kluyver and van Niel 1936 (rejected name) 30:318 (AL) Methanosarcina semesiae Lyimo et al. 2000 50:177* Methanosarcina siciliae (Stetter and K”nig 1989) Ni et al. 1994 44:357* Methanosarcina thermophila Zinder et al. 1985 35:522* Methanosarcina vacuolata Zhilina and Zavarzin 1987 37:281* METHANOSPHAERA Miller and Wolin 1985 35:535 Methanosphaera cuniculi Biavati et al. 1990 40:470 Methanosphaera stadtmanae Miller and Wolin 1985 35:535 Methanosphaera stadtmaniae see: Methanosphaera stadtmanae METHANOSPIRILLUM Ferry et al. 1974 30:318 (AL) Methanospirillum hungatei Ferry et al. 1974 30:318 (AL) Methanospirillum hungatii see: Methanospirillum hungatei METHANOTHERMOBACTER Wasserfallen et al. 2000 50:51* Methanothermobacter defluvii (Kotelnikova et al. 1994) Boone 2002 52:686 Methanothermobacter marburgensis Wasserfallen et al. 2000 50:52* Methanothermobacter thermautotrophicus (Zeikus and Wolfe 1972) Wasserfallen et al. 2000 50:51* Methanothermobacter thermoflexus (Kotelnikova et al. 1994) Boone 2002 52:686 Methanothermobacter thermophilus (Laurinavichus et al. 1990) Boone 2002 52:686 Methanothermobacter wolfei see: Methanothermobacter wolfeii Methanothermobacter wolfeii (Winter et al. 1985) Wasserfallen et al. 2000 50:51* METHANOTHERMOCOCCUS Whitman 2002 52:686 Methanothermococcus okinawensis Takai et al. 2002 52:1094* Methanothermococcus thermolithotrophicus (Huber et al. 1984) Whitman 2002 52:687 METHANOTHERMUS Stetter 1982 32:267 Methanothermus fervidus Stetter 1982 32:267 Methanothermus sociabilis Stetter 1986 36:573 METHANOTHRIX Huser et al. 1983 33:439 Methanothrix concilii -> Methanosaeta concilii Methanothrix soehngenii => Methanosaeta concilii Methanothrix thermoacetophila -> Methanosaeta thermoacetophila Methanothrix thermoacetophilia see: Methanosaeta thermoacetophila Methanothrix thermophila Kamagata et al. 1992 42:465* METHANOTORRIS Whitman 2002 52:687 Methanotorris formicicus Takai et al. 2004 54:1099* Methanotorris igneus (Burggraf et al. 1990) Whitman 2002 52:687 METHYLARCULA Doronina et al. 2000 50:1857* Methylarcula marina Doronina et al. 2000 50:1858* Methylarcula terricola Doronina et al. 2000 50:1858* METHYLIBIUM Nakatsu et al. 2006 56:988* Methylibium petroleiphilum Nakatsu et al. 2006 56:988* METHYLOBACILLUS Yordy and Weaver 1977 emend. Urakami and Komagata 1986 30:318 (AL) Methylobacillus flagellatus Govorukhina et al. 1998 48:631 Methylobacillus glycogenes Yordy and Weaver 1977 emend. Urakami and Komagata 1986 30:318 (AL) Methylobacillus pratensis Doronina et al. 2004 54:1457* METHYLOBACTER Bowman et al. 1993 emend. Bowman et al. 1995 43:749* Methylobacter agilis -> Methylomicrobium agile Methylobacter albus -> Methylomicrobium album Methylobacter luteus (Romanovskaya et al. 1981) Bowman et al. 1993 43:749* Methylobacter marinus Bowman et al. 1993 43:749* Methylobacter pelagicus -> Methylomicrobium pelagicum Methylobacter psychrophilus Omel'chenko et al. 2000 50:423 Methylobacter tundripaludum Wartiainen et al. 2006 56:112* Methylobacter whittenburyi (Romanovskaya et al. 1981) Bowman et al. 1993 43:750* METHYLOBACTERIUM Patt et al. 1976 30:318 (AL) Methylobacterium adhaesivum Gallego et al. 2006 56:341* Methylobacterium aminovorans Urakami et al. 1993 43:510* Methylobacterium aquaticum Gallego et al. 2005 55:285* Methylobacterium chloromethanicum McDonald et al. 2001 51:121* Methylobacterium dichloromethanicum Doronina et al. 2000 50:1953 Methylobacterium extorquens (Urakami and Komagata 1984) Bousfield and Green 1985 35:209* Methylobacterium fujisawaense Green et al. 1988 38:124* Methylobacterium hispanicum Gallego et al. 2005 55:285* Methylobacterium isbiliense Gallego et al. 2005 55:2336* Methylobacterium lusitanum Doronina et al. 2002 52:775* Methylobacterium mesophilicum (Austin and Goodfellow 1979) Green and Bousfield 1983 33:876* Methylobacterium nodulans Jourand et al. 2004 54:2273* Methylobacterium organophilum Patt et al. 1976 30:319 (AL) Methylobacterium podarium Anesti et al. 2006 56:2025* Methylobacterium populi Van Aken et al. 2004 54:1195* Methylobacterium radiotolerans (Ito and Iizuka 1971) Green and Bousfield 1983 33:876* Methylobacterium rhodesianum Green et al. 1988 38:124* Methylobacterium rhodinum (Heumann 1962) Green and Bousfield 1983 33:876* Methylobacterium suomiense Doronina et al. 2002 52:775* Methylobacterium thiocyanatum Wood et al. 1999 49:341 Methylobacterium variabile Gallego et al. 2005 55:1432* Methylobacterium zatmanii Green et al. 1988 38:124* METHYLOCALDUM Bodrossy et al. 1998 48:631 Methylocaldum gracile (ex Romanovskaya et al. 1978) Bodrossy et al. 1998 48:631 Methylocaldum szegediense Bodrossy et al. 1998 48:631 Methylocaldum tepidum Bodrossy et al. 1998 48:631 METHYLOCAPSA Dedysh et al. 2002 52:259* Methylocapsa acidiphila Dedysh et al. 2002 52:260* METHYLOCELLA Dedysh et al. 2000 emend. Dedysh et al. 2004 50:967* Methylocella palustris Dedysh et al. 2000 50:967* Methylocella silvestris Dunfield et al. 2003 53:1238* Methylocella tundrae Dedysh et al. 2004 54:156* METHYLOCOCCUS Foster and Davis 1966 emend. Bowman et al. 1993 30:319 (AL) Methylococcus bovis => Methylobacter luteus Methylococcus capsulatus Foster and Davis 1966 30:319 (AL) Methylococcus chroococcus => Methylobacter whittenburyi Methylococcus luteus -> Methylobacter luteus Methylococcus mobilis Hazeu et al. 1980 30:676 Methylococcus thermophilus Malashenko et al. 1975 30:319 (AL) Methylococcus vinelandii => Methylobacter whittenburyi Methylococcus whittenburyi -> Methylobacter whittenburyi METHYLOCYSTIS (ex Whittenbury et al. 1970) Bowman et al. 1993 43:751* Methylocystis echinoides (ex Gal'chenko et al. 1977) Bowman et al. 1993 43:751* Methylocystis parvus (ex Romanovskaya et al. 1978) Bowman et al. 1993 43:751* Methylocystis rosea Wartiainen et al. 2006 56:546* METHYLOHALOBIUS Heyer et al. 2005 55:1824* Methylohalobius crimeensis Heyer et al. 2005 55:1825* METHYLOMICROBIUM Bowman et al. 1995 45:183* Methylomicrobium agile (Bowman et al. 1993) Bowman et al. 1995 45:183* Methylomicrobium album (Bowman et al. 1993) Bowman et al. 1995 45:184* Methylomicrobium buryatense Kaluzhnaya et al. 2001 51:1945 Methylomicrobium pelagicum (Sieburth et al. 1988) Bowman et al. 1995 45:184* METHYLOMONAS (ex Leadbetter 1974) Whittenbury and Krieg 1984 emend. Bowman et al. 1993 34:355 Methylomonas aurantiaca Bowman et al. 1990 40:470 Methylomonas fodinarum Bowman et al. 1990 40:470 Methylomonas methanica (ex S”hngen 1906) Whittenbury and Krieg 1984 34:355 Methylomonas pelagica -> Methylomicrobium pelagicum Methylomonas scandinavica Kalyuzhnaya et al. 2000 50:949 METHYLOPHAGA Janvier et al. 1985 35:131* Methylophaga alcalica Doronina et al. 2003 53:228* Methylophaga marina Janvier et al. 1985 35:131* Methylophaga sulfidovorans de Zwart et al. 1998 48:1083 Methylophaga thalassica Janvier et al. 1985 35:131* METHYLOPHILUS Jenkins et al. 1987 37:446* Methylophilus leisingeri Doronina and Trotsenko 2001 (corrig.) 51:1 Methylophilus methylotrophus Jenkins et al. 1987 37:446* METHYLOPILA Doronina et al. 1998 48:1319* Methylopila capsulata Doronina et al. 1998 48:1320* Methylopila helvetica Doronina et al. 2000 50:1953 METHYLORHABDUS Doronina et al. 1996 46:362 Methylorhabdus multivorans Doronina et al. 1996 46:362 METHYLOSARCINA Wise et al. 2001 emend. Kalyuzhnaya et al. 2005 51:620* Methylosarcina fibrata Wise et al. 2001 51:620* Methylosarcina lacus Kalyuzhnaya et al. 2005 55:2349* Methylosarcina quisquiliarum Wise et al. 2001 51:620* METHYLOSINUS (ex Whittenbury et al. 1970) Bowman et al. 1993 43:750* Methylosinus sporium (ex Romanovskaya et al. 1978) Bowman et al. 1993 43:751* Methylosinus trichosporium (ex Romanovskaya et al. 1978) Bowman et al. 1993 43:751* METHYLOSPHAERA Bowman et al. 1998 48:327 Methylosphaera hansonii Bowman et al. 1998 48:327 METHYLOTHERMUS Tsubota et al. 2005 55:1883* Methylothermus thermalis Tsubota et al. 2005 55:1883* METHYLOVORUS Govorukhina and Trotsenko 1991 emend. Doronina et al. 2005 41:161* Methylovorus glucosotrophus Govorukhina and Trotsenko 1991 emend. Doronina et al. 2005 41:162* Methylovorus mays Doronina et al. 2001 emend. Doronina et al. 2005 51:1619 MICAVIBRIO Lambina et al. 1989 39:93 Micavibrio admirandus Lambina et al. 1989 39:93 MICROBACTERIUM Orla-Jensen 1919 emend. Takeuchi and Hatano 1998 30:319 (AL) Microbacterium aerolatum Zlamala et al. 2002 52:1233* Microbacterium aoyamense Kageyama et al. 2006 56:2115* Microbacterium arabinogalactanolyticum (Yokota et al. 1993) Takeuchi and Hatano 1998 48:745* Microbacterium arborescens (ex Frankland and Frankland 1889) Imai et al. 1985 35:535 Microbacterium aurantiacum Takeuchi and Hatano 1998 48:978* Microbacterium aurum Yokota et al. 1993 43:552* Microbacterium barkeri (Collins et al. 1983) Takeuchi and Hatano 1998 48:745* Microbacterium chocolatum Takeuchi and Hatano 1998 48:979* Microbacterium deminutum Kageyama et al. 2006 56:2115* Microbacterium dextranolyticum Yokota et al. 1993 43:551* Microbacterium esteraromaticum (Omelianski 1923) Takeuchi and Hatano 1998 48:745* Microbacterium flavescens (Lochhead 1958) Takeuchi and Hatano 1998 48:745* Microbacterium foliorum Behrendt et al. 2001 51:1273* Microbacterium gubbeenense Brennan et al. 2001 51:1974* Microbacterium halophilum Takeuchi and Hatano 1998 48:980* Microbacterium halotolerans Li et al. 2005 55:69* Microbacterium hominis Takeuchi and Hatano 1998 48:980* Microbacterium hydrocarbonoxydans Schippers et al. 2005 55:659* Microbacterium imperiale (Steinhaus 1941) Collins et al. 1983 33:672 Microbacterium keratanolyticum (Yokota et al. 1993) Takeuchi and Hatano 1998 48:745* Microbacterium ketosireducens Takeuchi and Hatano 1998 48:980* Microbacterium kitamiense Matsuyama et al. 1999 49:1356* Microbacterium koreense Lee et al. 2006 56:426* Microbacterium lacticum Orla-Jensen 1919 30:319 (AL) Microbacterium laevaniformans (ex Dias and Bhat 1962) Collins et al. 1983 33:673 Microbacterium liquefaciens (Collins et al. 1983) Takeuchi and Hatano 1998 48:745* Microbacterium luteolum (Yokota et al. 1993) Takeuchi and Hatano 1998 48:745* Microbacterium maritypicum (ZoBell and Upham 1944) Takeuchi and Hatano 1998 48:981* Microbacterium natoriense Liu et al. 2005 55:664* Microbacterium oleivorans Schippers et al. 2005 55:657* Microbacterium oxydans (Chatelain and Second 1966) Schumann et al. 1999 49:176* Microbacterium paludicola Park et al. 2006 56:538* Microbacterium paraoxydans Laffineur et al. 2003 53:936 Microbacterium phyllosphaerae Behrendt et al. 2001 51:1273* Microbacterium pumilum Kageyama et al. 2006 56:2115* Microbacterium resistens (Funke et al. 1998) Behrendt et al. 2001 51:1275* Microbacterium saperdae (Lysenko 1959) Takeuchi and Hatano 1998 48:745* Microbacterium schleiferi (Yokota et al. 1993) Takeuchi and Hatano 1998 48:745* Microbacterium terrae (Yokota et al. 1993) Takeuchi and Hatano 1998 48:745* Microbacterium terregens (Lochhead and Burton 1953) Takeuchi and Hatano 1998 48:745* Microbacterium testaceum (Komagata and Iizuka 1964) Takeuchi and Hatano 1998 48:745* Microbacterium thalassium Takeuchi and Hatano 1998 48:981* Microbacterium trichothecenolyticum (Yokota et al. 1993) Takeuchi and Hatano 1998 48:745* Microbacterium ulmi Rivas et al. 2004 54:516* Microbacterium xylanilyticum Kim et al. 2005 55:2078* MICROBISPORA Nonomura and Ohara 1957 emend. Zhang et al. 1998 30:319 (AL) Microbispora aerata -> Microbispora rosea subsp. aerata Microbispora amethystogenes => Microbispora rosea subsp. rosea Microbispora bispora -> Thermobispora bispora Microbispora chromogenes => Microbispora rosea subsp. rosea Microbispora corallina Nakajima et al. 1999 49:1766* Microbispora diastatica => Microbispora rosea subsp. rosea Microbispora echinospora -> Actinomadura echinospora Microbispora indica => Microbispora rosea subsp. rosea Microbispora karnatakensis => Microbispora rosea subsp. rosea Microbispora mesophila (Nonomura and Ohara 1971) Zhang et al. 1998 48:418* Microbispora parva => Microbispora rosea subsp. rosea Microbispora rosea Nonomura and Ohara 1957 30:319 (AL) Microbispora rosea subsp. aerata (Gerber and Lechevalier 1964) Miyadoh et al. 1991 41:178 Microbispora rosea subsp. rosea Nonomura and Ohara 1957 41:178 Microbispora thermodiastatica => Microbispora rosea subsp. aerata Microbispora thermorosea => Microbispora rosea subsp. aerata Microbispora viridis -> Actinomadura rugatobispora MICROBULBIFER Gonz lez et al. 1997 47:375* Microbulbifer elongatus (Humm 1946) Yoon et al. 2003 53:1360* Microbulbifer hydrolyticus Gonz lez et al. 1997 47:375* Microbulbifer maritimus Yoon et al. 2004 54:1114* Microbulbifer salipaludis Yoon et al. 2003 53:57* MICROCELLA Tiago et al. 2005 emend. Tioga et al. 2006 55:1743 Microcella alkaliphila Tiago et al. 2006 56:2313* Microcella putealis Tiago et al. 2005 55:1743 MICROCOCCUS Cohn 1872 emend. Stackebrandt et al. 1995 emend. Wieser et al. 2002 30:320 (AL) Micrococcus agilis -> Arthrobacter agilis Micrococcus antarcticus Liu et al. 2000 50:718* Micrococcus halobius -> Nesterenkonia halobia Micrococcus kristinae -> Kocuria kristinae Micrococcus luteus (Schroeter 1872) Cohn 1872 emend. Wieser et al. 2002 30:320 (AL) Micrococcus lylae Kloos et al. 1974 emend. Wieser et al. 2002 30:320 (AL) Micrococcus nishinomiyaensis -> Dermacoccus nishinomiyaensis Micrococcus roseus -> Kocuria rosea Micrococcus sedentarius -> Kytococcus sedentarius Micrococcus varians -> Kocuria varians MICROCYCLUS -> ANCYLOBACTER Microcyclus aquaticus -> Ancylobacter aquaticus MICROELLOBOSPORIA -> STREPTOMYCES Microellobosporia cinerea -> Streptomyces cinereus Microellobosporia flavea -> Streptomyces flaveus Microellobosporia grisea -> Streptomyces pseudoechinosporeus Microellobosporia violacea -> Streptomyces yerevanensis MICROLUNATUS Nakamura et al. 1995 45:21* Microlunatus phosphovorus Nakamura et al. 1995 45:21* MICROMONAS Murdoch and Shah 2000 50:1415 Micromonas micros (Prevot 1933) Murdoch and Shah 2000 50:1415 MICROMONOSPORA Oerskov 1923 30:321 (AL) Micromonospora aurantiaca Sveshnikova et al. 1969 30:321 (AL) Micromonospora auratinigra Thawai et al. 2004 54:1425 Micromonospora brunnea => Micromonospora purpureochromogenes Micromonospora carbonacea Luedemann and Brodsky 1965 30:321 (AL) Micromonospora carbonacea subsp. aurantiaca -> Micromonospora carbonacea Micromonospora carbonacea subsp. carbonacea -> Micromonospora carbonacea Micromonospora chalcea (Foulerton 1905) Orskov 1923 30:321 (AL) Micromonospora chersina Tomita et al. 1992 42:656 Micromonospora citrea Kroppenstedt et al. 2005 55:1743 Micromonospora coerulea Jensen 1932 30:321 (AL) Micromonospora coriariae Trujillo et al. 2006 56:2384* Micromonospora eburnea Thawai et al. 2005 55:421* Micromonospora echinaurantiaca Kroppenstedt et al. 2005 55:1743 Micromonospora echinofusca Kroppenstedt et al. 2005 55:1743 Micromonospora echinospora Luedemann and Brodsky 1964 emend. Kasai et al. 2000 30:321 (AL) Micromonospora echinospora subsp. echinospora -> Micromonospora echinospora Micromonospora echinospora subsp. ferruginea -> Micromonospora echinospora Micromonospora echinospora subsp. pallida -> Micromonospora pallida Micromonospora endolithica Hirsch et al. 2004 54:631 Micromonospora fulviviridis Kroppenstedt et al. 2005 55:1743 Micromonospora gallica (Erikson 1935) Waksman 1961 30:322 (AL) Micromonospora halophytica Weinstein et al. 1968 30:322 (AL) Micromonospora halophytica subsp. halophytica -> Micromonospora halophytica Micromonospora halophytica subsp. nigra -> Micromonospora nigra Micromonospora inositola Kawamoto et al. 1974 30:322 (AL) Micromonospora inyonensis Kroppenstedt et al. 2005 55:1743 Micromonospora matsumotoense (Asano et al. 1989) Lee et al. 2000 50:3 Micromonospora mirobrigensis Trujillo et al. 2005 55:879* Micromonospora nigra (Weinstein et al. 1968) Kasai et al. 2000 50:131* Micromonospora olivasterospora Kawamoto et al. 1983 33:110* Micromonospora pallida (Luedemann and Brodsky 1964) Kasai et al. 2000 50:131* Micromonospora peucetia Kroppenstedt et al. 2005 55:1743 Micromonospora purpurea => Micromonospora echinospora Micromonospora purpureochromogenes (Waksman and Curtis 1916) Luedemann 1971 30:322 (AL) Micromonospora rhodorangea => Micromonospora echinospora Micromonospora rosaria Horan and Brodsky 1986 36:478* Micromonospora sagamiensis Kroppenstedt et al. 2005 55:1743 Micromonospora siamensis Thawai et al. 2006 56:2 Micromonospora viridifaciens Kroppenstedt et al. 2005 55:1744 Micropolyspora angiospora -> Nonomuraea angiospora Micropolyspora brevicatena -> Nocardia brevicatena Micropolyspora faeni -> Saccharopolyspora rectivirgula Micropolyspora rectivirgula -> Saccharopolyspora rectivirgula MICROPRUINA Shintani et al. 2000 50:205* Micropruina glycogenica Shintani et al. 2000 50:206* MICROSCILLA Pringsheim 1951 30:323 (AL) Microscilla marina (Pringsheim 1951) Lewin 1969 30:323 (AL) MICROSPHAERA see: NAKAMURELLA Microsphaera multipartita -> Nakamurella multipartita MICROTETRASPORA Thiemann et al. 1968 emend. Zhang et al. 1998 30:323 (AL) Microtetraspora africana -> Nonomuraea africana Microtetraspora angiospora -> Nonomuraea angiospora Microtetraspora fastidiosa -> Nonomuraea fastidiosa Microtetraspora ferruginea -> Nonomuraea ferruginea Microtetraspora flexuosa -> Thermopolyspora flexuosa Microtetraspora fusca Thiemann et al. 1968 30:323 (AL) Microtetraspora glauca Thiemann et al. 1968 30:323 (AL) Microtetraspora helvata -> Nonomuraea helvata Microtetraspora malaysiensis Nakajima et al. 2004 54:1 Microtetraspora niveoalba Nonomura and Ohara 1971 30:323 (AL) Microtetraspora polychroma -> Nonomuraea polychroma Microtetraspora pusilla -> Nonomuraea pusilla Microtetraspora recticatena -> Nonomuraea recticatena Microtetraspora roseola -> Nonomuraea roseola Microtetraspora roseoviolacea -> Nonomuraea roseoviolacea subsp. roseoviolacea Microtetraspora rubra -> Nonomuraea rubra Microtetraspora salmonea -> Nonomuraea salmonea Microtetraspora spiralis -> Nonomuraea spiralis Microtetraspora turkmeniaca -> Nonomuraea turkmeniaca Microtetraspora tyrrhenii Tomita et al. 1992 42:191 Microtetraspora viridis -> Actinomadura viridis MICROVIRGA Kanso and Patel 2003 53:404* Microvirga subterranea Kanso and Patel 2003 53:405* MICROVIRGULA Patureau et al. 1998 48:781* Microvirgula aerodenitrificans Patureau et al. 1998 emend. Cleenwerck et al. 2003 48:781* MILLISIA Soddell et al. 2006 56:742* Millisia brevis Soddell et al. 2006 56:742* MITSUARIA Amakata et al. 2005 55:1930* Mitsuaria chitosanitabida Amakata et al. 2005 55:1931* MITSUOKELLA Shah and Collins 1983 33:438 Mitsuokella dentalis -> Prevotella dentalis Mitsuokella jalaludinii Lan et al. 2002 52:717* Mitsuokella multacida (Mitsuoka et al. 1974) Shah and Collins 1983 (corrig.) 33:438 Mitsuokella multiacidus see: Mitsuokella multacida MOBILUNCUS Spiegel and Roberts 1984 emend. Hoyles et al. 2004 34:180* Mobiluncus curtisii Spiegel and Roberts 1984 emend. Hoyles et al. 2004 34:181* Mobiluncus curtisii subsp. curtisii Spiegel and Roberts 1984 34:181* Mobiluncus curtisii subsp. holmesii Spiegel and Roberts 1984 34:181* Mobiluncus mulieris Spiegel and Roberts 1984 emend. Hoyles et al. 2004 34:181* MODESTOBACTER Mevs et al. 2000 50:344* Modestobacter multiseptatus Mevs et al. 2000 50:344* MOELLERELLA Hickman-Brenner et al. 1984 34:355 Moellerella wisconsensis Hickman-Brenner et al. 1984 34:355 MOGIBACTERIUM Nakazawa et al. 2000 50:686* Mogibacterium diversum Nakazawa et al. 2002 52:121* Mogibacterium neglectum Nakazawa et al. 2002 52:121* Mogibacterium pumilum Nakazawa et al. 2000 50:686* Mogibacterium timidum (Holdeman et al. 1980) Nakazawa et al. 2000 50:686* Mogibacterium vescum Nakazawa et al. 2000 50:686* MOORELLA Collins et al. 1994 44:822* Moorella glycerini Slobodkin et al. 1997 47:973* Moorella mulderi Balk et al. 2005 55:1 Moorella thermoacetica (Fontaine et al. 1942) Collins et al. 1994 44:824* Moorella thermoautotrophica (Wiegel et al. 1982) Collins et al. 1994 44:824* MORAXELLA Lwoff 1939 30:323 (AL) Moraxella anatipestifer -> Riemerella anatipestifer Moraxella atlantae see: Moraxella (Moraxella) atlantae Moraxella boevrei Kodjo et al. 1997 47:120* Moraxella bovis -> Moraxella (Moraxella) bovis Moraxella canis Jannes et al. 1993 43:448* Moraxella caprae Kodjo et al. 1995 45:471* Moraxella catarrhalis -> Moraxella (Branhamella) catarrhalis Moraxella caviae -> Moraxella (Branhamella) caviae Moraxella cuniculi (Berger 1962) Bovre and Hagen 1984 34:355 Moraxella equi Hughes and Pugh 1970 30:324 (AL) Moraxella lacunata -> Moraxella (Moraxella) lacunata Moraxella lincolnii Vandamme et al. 1993 43:479* Moraxella nonliquefaciens -> Moraxella (Moraxella) nonliquefaciens Moraxella oblonga Xie and Yokota 2005 55:334* Moraxella osloensis -> Moraxella (Moraxella) osloensis Moraxella ovis -> Moraxella (Branhamella) ovis Moraxella phenylpyruvica -> Psychrobacter phenylpyruvicus Moraxella saccharolytica Flamm 1956 30:324 (AL) Moraxella urethralis -> Oligella urethralis MORAXELLA (BRANHAMELLA) Bovre 1984 34:355 Moraxella (Branhamella) catarrhalis (Frosch and Kolle 1896) Bovre 1979 29:404* Moraxella (Branhamella) caviae (Pelczar 1953) Bovre 1979 29:404* Moraxella (Branhamella) ovis (Lindquist 1960) Bovre 1979 29:404* MORAXELLA (MORAXELLA) Bovre 1984 34:355 Moraxella (Moraxella) atlantae (Bovre et al. 1976) Bovre 1979 29:404* Moraxella (Moraxella) bovis (Hauduroy et al. 1937) Bovre 1979 29:404* Moraxella (Moraxella) lacunata (Eyre 1900) Bovre 1979 29:404* Moraxella (Moraxella) nonliquefaciens (Scarlett 1916) Bovre 1979 29:404* Moraxella (Moraxella) osloensis (Bovre and Henriksen 1967) Bovre 1979 29:404* Moraxella (Moraxella) phenylpyruvica -> Psychrobacter phenylpyruvicus MORGANELLA Fulton 1943 30:324 (AL) Morganella morganii (Winslow et al. 1919) Fulton 1943 30:324 (AL) Morganella morganii subsp. morganii (Winslow et al. 1919) Fulton 1943 42:619* Morganella morganii subsp. sibonii Jensen et al. 1992 42:619* Morganella psychrotolerans Emborg et al. 2006 56:2478* MORITELLA Urakawa et al. 1999 49:341 Moritella abyssi Xu et al. 2003 53:537* Moritella japonica Nogi et al. 1999 49:341 Moritella marina (Baumann et al. 1984) Urakawa et al. 1999 49:341 Moritella profunda Xu et al. 2003 53:536* Moritella viscosa (Lunder et al. 2000) Benediktsd¢ttir et al. 2000 50:487* Moritella yayanosii Nogi and Kato 1999 49:1325 MOROCOCCUS Long et al. 1981 31:299* Morococcus cerebrosus Long et al. 1981 31:299* MUCISPIRILLUM Robertson et al. 2005 55:1203* Mucispirillum schaedleri Robertson et al. 2005 55:1203* MURICAUDA Bruns et al. 2001 emend. Yoon et al. 2005 51:2005* Muricauda aquimarina Yoon et al. 2005 55:1019* Muricauda flavescens Yoon et al. 2005 55:1019* Muricauda ruestringensis Bruns et al. 2001 51:2005* MURICOCCUS K„mpfer et al. 2003 53:936 Muricoccus roseus K„mpfer et al. 2003 53:936 MYCELIGENERANS Cui et al. 2004 54:1292* Myceligenerans crystallogenes Groth et al. 2006 56:286* Myceligenerans xiligouense Cui et al. 2004 54:1292* MYCETOCOLA Tsukamoto et al. 2001 51:943* Mycetocola lacteus Tsukamoto et al. 2001 51:942* Mycetocola saprophilus Tsukamoto et al. 2001 51:942* Mycetocola tolaasinivorans Tsukamoto et al. 2001 51:942* MYCOBACTERIUM Lehmann and Neumann 1896 30:324 (AL) Mycobacterium abscessus (Moore and Frerichs 1953) Kusunoki and Ezaki 1992 42:244* Mycobacterium africanum Castets et al. 1969 30:325 (AL) Mycobacterium agri (ex Tsukamura 1972) Tsukamura 1981 31:256* Mycobacterium aichiense (ex Tsukamura 1973) Tsukamura 1981 31:274* Mycobacterium alvei Ausina et al. 1992 42:531* Mycobacterium arupense Cloud et al. 2006 56:1417* Mycobacterium asiaticum Weiszfeiler et al. 1971 30:325 (AL) Mycobacterium aubagnense Ad‚kambi et al. 2006 56:140* Mycobacterium aurum Tsukamura 1966 30:325 (AL) Mycobacterium austroafricanum Tsukamura et al. 1983 33:467* Mycobacterium avium Chester 1901 30:325 (AL) Mycobacterium avium subsp. avium Chester 1901 emend. Thorel et al. 1990 40:259* Mycobacterium avium subsp. paratuberculosis (Bergey et al. 1923) Thorel et al. 1990 40:259* Mycobacterium avium subsp. silvaticum Thorel et al. 1990 40:259* Mycobacterium boenickei Schinsky et al. 2004 54:1664* Mycobacterium bohemicum Reischl et al. 1998 48:1354* Mycobacterium bolletii Ad‚kambi et al. 2006 56:140* Mycobacterium botniense Torkko et al. 2000 50:288* Mycobacterium bovis Mycobacterium bovis subsp. bovis Mycobacterium bovis subsp. bovis Karlson and Lessel 1970 52:435* Mycobacterium bovis subsp. caprae -> Mycobacterium caprae Mycobacterium branderi Koukila-K„hk”l„ et al. 1995 45:552* Mycobacterium brisbanense Schinsky et al. 2004 54:1665* Mycobacterium brumae Luquin et al. 1993 43:411* Mycobacterium canariasense Jimenez et al. 2004 54:1733* Mycobacterium caprae (Aranaz et al. 1999) Aranaz et al. 2003 53:1788* Mycobacterium celatum Butler et al. 1993 43:547* Mycobacterium chelonae (Bergey et al. 1923) Kubica et al. 1972 30:325 (AL) Mycobacterium chelonae subsp. abscessus -> Mycobacterium abscessus Mycobacterium chelonae subsp. chelonae (Bergey et al. 1923) Kubica et al. 1972 30:325 (AL) Mycobacterium chelonei see: Mycobacterium chelonae subsp. chelonae Mycobacterium chimaera Tortoli et al. 2004 54:1283* Mycobacterium chitae Tsukamura 1967 30:325 (AL) Mycobacterium chlorophenolicum (Apajalahti et al. 1986) H„ggblom et al. 1994 44:491* Mycobacterium chubuense (ex Tsukamura 1973) Tsukamura 1981 31:274* Mycobacterium colombiense Murcia et al. 2006 56:2053* Mycobacterium conceptionense Ad‚kambi et al. 2006 56:2025* Mycobacterium confluentis Kirschner et al. 1992 42:261* Mycobacterium conspicuum Springer et al. 1996 46:362 Mycobacterium cookii Kazda et al. 1990 40:220* Mycobacterium cosmeticum Cooksey et al. 2004 54:2390* Mycobacterium diernhoferi (ex B”nicke and Juhasz 1965) Tsukamura et al. 1983 33:468* Mycobacterium doricum Tortoli et al. 2001 51:2011* Mycobacterium duvalii Stanford and Gunthorpe 1971 30:325 (AL) Mycobacterium elephantis Shojaei et al. 2000 50:1819* Mycobacterium fallax Levy-Frebault et al. 1983 33:342* Mycobacterium farcinogenes Chamoiseau 1973 30:325 (AL) Mycobacterium flavescens Bojalil et al. 1962 30:326 (AL) Mycobacterium florentinum Tortoli et al. 2005 55:1105* Mycobacterium fluoranthenivorans Hormisch et al. 2006 56:1459* Mycobacterium fortuitum da Costa Cruz 1938 30:326 (AL) Mycobacterium fortuitum subsp. acetamidolyticum Tsukamura et al. 1986 36:489 Mycobacterium fortuitum subsp. fortuitum da Costa Cruz 1938 30:326 (AL) Mycobacterium frederiksbergense Willumsen et al. 2001 51:1719* Mycobacterium gadium Casal and Calero 1974 30:326 (AL) Mycobacterium gastri Wayne 1966 30:326 (AL) Mycobacterium genavense B”ttger et al. 1993 43:842* Mycobacterium gilvum Stanford and Gunthorpe 1971 30:326 (AL) Mycobacterium goodii Brown et al. 1999 49:1509* Mycobacterium gordonae Bojalil et al. 1962 30:326 (AL) Mycobacterium haemophilum Sompolinsky et al. 1978 30:326 (AL) Mycobacterium hassiacum Schr”der et al. 1997 47:90* Mycobacterium heckeshornense Roth et al. 2001 51:263 Mycobacterium heidelbergense Haas et al. 1998 48:627 Mycobacterium hiberniae Kazda et al. 1993 43:355* Mycobacterium hodleri Kleespies et al. 1996 46:686* Mycobacterium holsaticum Richter et al. 2002 52:1995* Mycobacterium houstonense Schinsky et al. 2004 54:1665* Mycobacterium immunogenum Wilson et al. 2001 51:1762* Mycobacterium interjectum Springer et al. 1995 45:197 Mycobacterium intermedium Meier et al. 1993 43:207* Mycobacterium intracellulare (Cuttino and McCabe 1949) Runyon 1965 30:326 (AL) Mycobacterium kansasii Hauduroy 1955 30:326 (AL) Mycobacterium komossense Kazda and Mller 1979 30:326 (AL) Mycobacterium kubicae Floyd et al. 2000 50:1814* Mycobacterium lacus Turenne et al. 2002 52:2138* Mycobacterium lentiflavum Springer et al. 1996 46:836 Mycobacterium leprae (Hansen 1880) Lehmann and Neumann 1896 30:326 (AL) Mycobacterium lepraemurium Marchoux and Sorel 1912 30:326 (AL) Mycobacterium madagascariense Kazda et al. 1992 42:526* Mycobacterium mageritense Domenech et al. 1997 47:539* Mycobacterium malmoense Schr”der and Juhlin 1977 30:327 (AL) Mycobacterium marinum Aronson 1926 30:327 (AL) Mycobacterium massiliense Ad‚kambi et al. 2006 56:2025* Mycobacterium microti Reed 1957 30:327 (AL) Mycobacterium montefiorense Levi et al. 2003 53:1701 Mycobacterium moriokaense Tsukamura et al. 1986 36:333* Mycobacterium mucogenicum Springer et al. 1995 45:266* Mycobacterium murale Vuorio et al. 1999 49:34* Mycobacterium nebraskense Mohamed et al. 2004 54:2060* Mycobacterium neoaurum Tsukamura 1972 30:327 (AL) Mycobacterium neworleansense Schinsky et al. 2004 54:1665* Mycobacterium nonchromogenicum Tsukamura 1965 30:327 (AL) Mycobacterium novocastrense Shojaei et al. 1997 47:1206* Mycobacterium obuense (ex Tsukamura and Mizuno 1971) Tsukamura and Mizuno 1981 31:274* Mycobacterium palustre Torkko et al. 2002 52:1524* Mycobacterium parafortuitum Tsukamura et al. 1965 30:327 (AL) Mycobacterium parascrofulaceum Turenne et al. 2004 54:1550* Mycobacterium paratuberculosis -> Mycobacterium avium subsp. paratuberculosis Mycobacterium parmense Fanti et al. 2004 54:1126* Mycobacterium peregrinum (ex Bojalil et al. 1962) Kusunoki and Ezaki 1992 42:244* Mycobacterium phlei Lehmann and Neumann 1899 30:327 (AL) Mycobacterium phocaicum Ad‚kambi et al. 2006 56:140* Mycobacterium pinnipedii Cousins et al. 2003 53:1312* Mycobacterium porcinum Tsukamura et al. 1983 33:164* Mycobacterium poriferae Padgitt and Moshier 1987 37:189* Mycobacterium pseudoshottsii Rhodes et al. 2005 55:1145* Mycobacterium psychrotolerans Trujillo et al. 2004 54:1462* Mycobacterium pulveris Tsukamura et al. 1983 33:811* Mycobacterium pyrenivorans Derz et al. 2004 54:2317* Mycobacterium rhodesiae Tsukamura 1981 31:274* Mycobacterium saskatchewanense Turenne et al. 2004 54:666* Mycobacterium scrofulaceum Prissick and Masson 1956 30:327 (AL) Mycobacterium senegalense (Chamoiseau 1973) Chamoiseau 1979 30:327 (AL) Mycobacterium septicum Schinsky et al. 2000 50:580* Mycobacterium shimoidei (ex Tsukamura et al. 1975) Tsukamura 1982 32:67* Mycobacterium shottsii Rhodes et al. 2003 53:424* Mycobacterium simiae Karassova et al. 1965 30:327 (AL) Mycobacterium smegmatis (Trevisan 1889) Lehmann and Neumann 1899 30:327 (AL) Mycobacterium sphagni Kazda 1980 30:81* Mycobacterium szulgai Marks et al. 1972 30:328 (AL) Mycobacterium terrae Wayne 1966 30:328 (AL) Mycobacterium thermoresistibile Tsukamura 1966 30:328 (AL) Mycobacterium tokaiense (ex Tsukamura et al. 1973) Tsukamura 1981 31:274* Mycobacterium triplex Floyd et al. 1997 47:601 Mycobacterium triviale Kubica 1970 30:328 (AL) Mycobacterium tuberculosis (Zopf 1883) Lehmann and Neumann 1896 30:328 (AL) Mycobacterium tuberculosis subsp. caprae -> Mycobacterium caprae Mycobacterium tuberculosis subsp. tuberculosis see: Mycobacterium tuberculosis Mycobacterium tusciae Tortoli et al. 1999 49:1843* Mycobacterium ulcerans MacCallum et al. 1950 30:328 (AL) Mycobacterium vaccae B”nicke and Juhasz 1964 30:328 (AL) Mycobacterium vanbaalenii Khan et al. 2002 52:2001* Mycobacterium wolinskyi Brown et al. 1999 49:1508* Mycobacterium xenopi Schwabacher 1959 30:328 (AL) MYCOPLANA Gray and Thornton 1928 emend. Urakami et al. 1990 30:328 (AL) Mycoplana bullata Gray and Thornton 1928 emend. Urakami et al. 1990 30:328 (AL) Mycoplana dimorpha Gray and Thornton 1928 emend. Urakami et al. 1990 30:328 (AL) Mycoplana ramosa Urakami et al. 1990 40:441* Mycoplana segnis -> Caulobacter segnis MYCOPLASMA Nowak 1929 30:329 (AL) Mycoplasma adleri Del Giudice et al. 1995 45:31* Mycoplasma agalactiae (Wroblewski 1931) Freundt 1955 30:329 (AL) Mycoplasma agassizii Brown et al. 2001 51:417* Mycoplasma alkalescens Leach 1973 30:329 (AL) Mycoplasma alligatoris Brown et al. 2001 51:423* Mycoplasma alvi Gourlay et al. 1977 30:329 (AL) Mycoplasma amphoriforme Pitcher et al. 2005 55:2593* Mycoplasma anatis Roberts 1964 30:329 (AL) Mycoplasma anseris Bradbury et al. 1988 38:74* Mycoplasma arginini Barile et al. 1968 30:329 (AL) Mycoplasma arthritidis (Sabin 1941) Freundt 1955 30:329 (AL) Mycoplasma auris DaMassa et al. 1994 44:483* Mycoplasma bovigenitalium Freundt 1955 30:329 (AL) Mycoplasma bovirhinis Leach 1967 30:329 (AL) Mycoplasma bovis (Hale et al. 1962) Askaa and Erno 1976 30:329 (AL) Mycoplasma bovoculi Langford and Leach 1973 30:329 (AL) Mycoplasma buccale Freundt et al. 1974 30:329 (AL) Mycoplasma buteonis Poveda et al. 1994 44:97* Mycoplasma californicum Jasper et al. 1981 31:344* Mycoplasma canadense Langford et al. 1976 30:330 (AL) Mycoplasma canis Edward 1955 30:330 (AL) Mycoplasma capricolum Tully et al. 1974 30:330 (AL) Mycoplasma capricolum subsp. capricolum Tully et al. 1974 30:330 (AL) Mycoplasma capricolum subsp. capripneumoniae Leach et al. 1993 43:604* Mycoplasma caviae Hill 1971 30:330 (AL) Mycoplasma cavipharyngis Hill 1989 39:371 Mycoplasma citelli Rose et al. 1978 30:330 (AL) Mycoplasma cloacale Bradbury and Forrest 1984 34:391* Mycoplasma coccoides (Schilling 1928) Neimark et al. 2005 55:1389* Mycoplasma collis Hill 1983 33:850* Mycoplasma columbinasale Jordan et al. 1982 32:114* Mycoplasma columbinum Shimizu et al. 1978 30:330 (AL) Mycoplasma columborale Shimizu et al. 1978 30:330 (AL) Mycoplasma conjunctivae Barile et al. 1972 30:330 (AL) Mycoplasma corogypsi Panangala et al. 1993 43:589* Mycoplasma cottewii DaMassa et al. 1994 44:483* Mycoplasma cricetuli Hill 1983 33:117* Mycoplasma crocodyli Kirchhoff et al. 1997 47:746* Mycoplasma cynos Rosendal 1973 30:330 (AL) Mycoplasma dispar Gourlay and Leach 1970 30:330 (AL) Mycoplasma edwardii Tully et al. 1970 30:330 (AL) Mycoplasma elephantis Kirchhoff et al. 1996 46:440* Mycoplasma ellychniae -> Entomoplasma ellychniae Mycoplasma equigenitalium Kirchhoff 1978 30:330 (AL) Mycoplasma equirhinis Allam and Lemcke 1975 30:330 (AL) Mycoplasma falconis Poveda et al. 1994 44:97* Mycoplasma fastidiosum Lemcke and Poland 1980 30:161* Mycoplasma faucium Freundt et al. 1974 30:330 (AL) Mycoplasma felifaucium Hill 1988 38:449 Mycoplasma feliminutum Heyward et al. 1969 30:331 (AL) Mycoplasma felis Cole et al. 1967 30:331 (AL) Mycoplasma fermentans Edward 1955 30:331 (AL) Mycoplasma flocculare Meyling and Friis 1972 30:331 (AL) Mycoplasma gallinaceum Jordan et al. 1982 32:114* Mycoplasma gallinarum Freundt 1955 30:331 (AL) Mycoplasma gallisepticum Edward and Kanarek 1960 30:331 (AL) Mycoplasma gallopavonis Jordan et al. 1982 32:114* Mycoplasma gateae Cole et al. 1967 30:331 (AL) Mycoplasma genitalium Tully et al. 1983 33:395* Mycoplasma glycophilum Forrest and Bradbury 1984 34:355 Mycoplasma gypis Poveda et al. 1994 44:98* Mycoplasma haemocanis (Kreier and Ristic 1984) Messick et al. 2002 52:697* Mycoplasma haemofelis (Kreier and Ristic 1984) Neimark et al. 2002 52:683* Mycoplasma haemomuris (Mayer 1921) Neimark et al. 2002 52:683* Mycoplasma haemosuis see: Mycoplasma suis Mycoplasma hominis (Freundt 1953) Edward 1955 30:331 (AL) Mycoplasma hyopharyngis Erickson et al. 1986 36:55* Mycoplasma hyopneumoniae Mare and Switzer 1965 30:331 (AL) Mycoplasma hyorhinis Switzer 1955 30:331 (AL) Mycoplasma hyosynoviae Ross and Karmon 1970 30:331 (AL) Mycoplasma iguanae Brown et al. 2006 56:763* Mycoplasma imitans Bradbury et al. 1993 43:726* Mycoplasma indiense Hill 1993 43:39* Mycoplasma iners Edward and Kanarek 1960 30:331 (AL) Mycoplasma iowae Jordan et al. 1982 32:114* Mycoplasma lactucae -> Mesoplasma lactucae Mycoplasma lagogenitalium Kobayashi et al. 1997 47:1211* Mycoplasma leonicaptivi Hill 1992 (corrig.) 42:521* Mycoplasma leopharyngis Hill 1992 42:521* Mycoplasma lipofaciens Bradbury et al. 1983 33:334* Mycoplasma lipophilum Del Giudice et al. 1974 30:331 (AL) Mycoplasma lucivorax -> Entomoplasma lucivorax Mycoplasma luminosum -> Entomoplasma luminosum Mycoplasma maculosum Edward 1955 30:331 (AL) Mycoplasma melaleucae -> Entomoplasma melaleucae Mycoplasma meleagridis Yamamoto et al. 1965 30:332 (AL) Mycoplasma microti Brown et al. 2001 51:412* Mycoplasma moatsii Madden et al. 1974 30:332 (AL) Mycoplasma mobile Kirchhoff et al. 1987 37:192* Mycoplasma molare Rosendal 1974 30:332 (AL) Mycoplasma muris McGarrity et al. 1983 33:355* Mycoplasma mustelae Salih et al. 1983 33:478* Mycoplasma mycoides (Borrel et al. 1910) Freundt 1955 30:332 (AL) Mycoplasma mycoides subsp. capri (Edward 1953) Freundt 1955 30:332 (AL) Mycoplasma mycoides subsp. mycoides (Borrel et al. 1910) Freundt 1955 30:332 (AL) Mycoplasma neurolyticum (Sabin 1941) Freundt 1955 30:332 (AL) Mycoplasma opalescens Rosendal 1975 30:332 (AL) Mycoplasma orale Taylor-Robinson et al. 1964 30:332 (AL) Mycoplasma ovipneumoniae Carmichael et al. 1972 30:332 (AL) Mycoplasma ovis (Neitz et al. 1934) Neimark et al. 2004 54:369* Mycoplasma oxoniensis Hill 1991 41:24* Mycoplasma penetrans Lo et al. 1992 42:363* Mycoplasma phocacerebrale see: Mycoplasma phocicerebrale Mycoplasma phocae Ruhnke and Madoff 1992 (corrig.) 42:213* Mycoplasma phocarhinis see: Mycoplasma phocirhinis Mycoplasma phocicerebrale Giebel et al. 1991 (corrig.) 41:43* Mycoplasma phocidae see: Mycoplasma phocae Mycoplasma phocirhinis Giebel et al. 1991 (corrig.) 41:43* Mycoplasma pirum Del Giudice et al. 1985 35:285* Mycoplasma pneumoniae Somerson et al. 1963 30:332 (AL) Mycoplasma primatum Del Giudice et al. 1971 30:333 (AL) Mycoplasma pullorum Jordan et al. 1982 32:114* Mycoplasma pulmonis (Sabin 1941) Freundt 1955 30:333 (AL) Mycoplasma putrefaciens Tully et al. 1974 30:333 (AL) Mycoplasma salivarium Edward 1955 30:333 (AL) Mycoplasma simbae Hill 1992 42:520* Mycoplasma somnilux -> Entomoplasma somnilux Mycoplasma spermatophilum Hill 1991 41:232* Mycoplasma spumans Edward 1955 30:333 (AL) Mycoplasma sturni Forsyth et al. 1996 46:719* Mycoplasma sualvi Gourlay et al. 1978 30:333 (AL) Mycoplasma subdolum Lemcke and Kirchhoff 1979 30:333 (AL) "Mycoplasma suipneumoniae" (not validly published) Mycoplasma suis (Splitter 1950) Neimark et al. 2002 (corrig.) 52:683* Mycoplasma synoviae Olson et al. 1964 30:333 (AL) Mycoplasma testudineum Brown et al. 2004 54:1529* Mycoplasma testudinis Hill 1985 35:489* Mycoplasma verecundum Gourlay et al. 1974 30:333 (AL) Mycoplasma wenyonii (Adler and Ellenbogen 1934) Neimark et al. 2002 52:683* Mycoplasma yeatsii DaMassa et al. 1994 44:483* MYROIDES Vancanneyt et al. 1996 46:930* Myroides odoratimimus Vancanneyt et al. 1996 46:931* Myroides odoratus (Stutzer 1929) Vancanneyt et al. 1996 46:931* Myroides pelagicus Yoon et al. 2006 56:1919* MYXOCOCCUS Thaxter 1892 30:333 (AL) Myxococcus coralloides Thaxter 1892 30:333 (AL) Myxococcus cruentus Byssovorax cruenta Myxococcus disciformis -> Angiococcus disciformis Myxococcus flavescens Yamanaka et al. 1990 40:212 Myxococcus fulvus (Cohn 1875) Jahn 1911 30:333 (AL) Myxococcus macrosporus (Krzemieniewska and Krzemieniewski 1926) Zahler and McCurdy 1974 30:333 (AL) Myxococcus stipitatus Thaxter 1897 30:333 (AL) Myxococcus virescens Thaxter 1892 30:334 (AL) Myxococcus xanthus Beebe 1941 30:334 (AL) NAKAMURELLA Tao et al. 2004 54:999* Nakamurella multipartita (Yoshimi et al.1996) Tao et al. 2004 54:1000* NANNOCYSTIS Reichenbach 1970 30:334 (AL) Nannocystis exedens Reichenbach 1970 30:334 (AL) NATRIALBA Kamekura and Dyall-Smith 1996 46:625 Natrialba aegyptia Hezayen et al. 2001 (corrig.) 51:1140* Natrialba aegyptiaca see: Natrialba aegyptia Natrialba asiatica Kamekura and Dyall-Smith 1996 emend. Hezayen et al. 2001 46:625 Natrialba chahannaoensis Xu et al. 2001 51:1697* Natrialba hulunbeirensis Xu et al. 2001 51:1696* Natrialba magadii (Tindall et al. 1984) Kamekura et al. 1997 47:857* Natrialba taiwanensis Hezayen et al. 2001 51:1140* NATRINEMA McGenity et al. 1998 emend. Xin et al. 2000 48:1194* Natrinema altunense Xu et al. 2005 55:1313* Natrinema pallidum McGenity et al. 1998 48:1194* Natrinema pellirubrum McGenity et al. 1998 48:1194* Natrinema versiforme Xin et al. 2000 50:1302* NATRONIELLA Zhilina et al. 1996 46:1189 Natroniella acetigena Zhilina et al. 1996 46:1189 NATRONINCOLA Zhilina et al. 1999 49:1 Natronincola histidinovorans Zhilina et al. 1999 49:1 NATRONOBACTERIUM Tindall et al. 1984 34:355 Natronobacterium gregoryi Tindall et al. 1984 34:355 Natronobacterium magadii -> Natrialba magadii Natronobacterium nitratireducens -> Halobiforma nitratireducens Natronobacterium pharaonis -> Natronomonas pharaonis Natronobacterium vacuolatum -> Halorubrum vacuolatum NATRONOCOCCUS Tindall et al. 1984 34:355 Natronococcus amylolyticus Kanai et al. 1995 45:765* Natronococcus occultus Tindall et al. 1984 34:355 NATRONOLIMNOBIUS Itoh et al. 2005 55:1744 Natronolimnobius baerhuensis Itoh et al. 2005 55:1744 Natronolimnobius innermongolicus Itoh et al. 2005 55:1744 NATRONOMONAS Kamekura et al. 1997 47:856* Natronomonas pharaonis (Soliman and Trper 1983) Kamekura et al. 1997 47:857* NATRONORUBRUM Xu et al. 1999 emend. Cui et al. 2006 49:265* Natronorubrum aibiense Cui et al. 2006 56:1517* Natronorubrum bangense Xu et al. 1999 49:265* Natronorubrum tibetense Xu et al. 1999 49:265* NAUTILIA Miroshnichenko et al. 2002 52:1302* Nautilia lithotrophica Miroshnichenko et al. 2002 52:1303* NAXIBACTER Xu et al. 2005 55:1152* Naxibacter alkalitolerans Xu et al. 2005 55:1152* NEISSERIA Trevisan 1885 30:334 (AL) Neisseria animalis Berger 1960 30:334 (AL) Neisseria animaloris Vandamme et al. 2006 56:1803* Neisseria bacilliformis Han et al. 2006 56:1459* Neisseria canis Berger 1962 30:334 (AL) Neisseria caviae = Moraxella (Branhamella) caviae Neisseria cinerea (von Lingelsheim 1906) Murray 1939 30:334 (AL) Neisseria cuniculi -> Moraxella cuniculi Neisseria denitrificans -> Bergeriella denitrificans Neisseria dentiae Sneath and Barrett 1997 47:915 Neisseria elongata Bovre and Holten 1970 30:334 (AL) Neisseria elongata subsp. elongata Bovre and Holten 1970 30:334 (AL) Neisseria elongata subsp. glycolytica Henriksen and Holten 1976 30:334 (AL) Neisseria elongata subsp. nitroreducens Grant et al. 1991 41:580 Neisseria flava Bergey et al. 1923 30:334 (AL) Neisseria flavescens Branham 1930 30:334 (AL) Neisseria gonorrhoeae (Zopf 1885) Trevisan 1885 30:335 (AL) Neisseria iguanae Barrett et al. 1994 44:852 Neisseria lactamica Hollis et al. 1969 30:335 (AL) Neisseria macacae Vedros et al. 1983 33:519* Neisseria meningitidis (Albrecht and Ghon 1901) Murray 1929 30:335 (AL) Neisseria mucosa Veron et al. 1959 30:335 (AL) Neisseria ovis = Moraxella (Branhamella) ovis Neisseria perflava Bergey et al. 1923 30:335 (AL) Neisseria polysaccharea Riou and Guibourdenche 1987 37:163* Neisseria sicca (von Lingelsheim 1908) Bergey et al. 1923 30:335 (AL) Neisseria subflava (Flgge 1886) Trevisan 1889 30:335 (AL) Neisseria weaveri Holmes et al. 1993 43:691* Neisseria zoodegmatis Vandamme et al. 2006 56:1804* NEOCHLAMYDIA Horn et al. 2001 51:1229 Neochlamydia hartmannellae Horn et al. 2001 51:1229 NEORICKETTSIA Philip et al. 1953 emend. Dumler et al. 2001 30:335 (AL) Neorickettsia helminthoeca Philip et al. 1953 30:335 (AL) Neorickettsia risticii (Holland et al. 1985) Dumler et al. 2001 51:2159* Neorickettsia sennetsu (Misao and Kobayashi 1956) Dumler et al. 2001 51:2159* NEOSAIA Yukphan et al. 2006 56:499 Neosaia chiangmaiensis Yukphan et al. 2006 56:499 NEPTUNOMONAS Hedlund et al. 1999 49:1325 Neptunomonas naphthovorans Hedlund et al. 1999 49:1325 NEREIDA Pujalte et al. 2005 55:635* Nereida ignava Pujalte et al. 2005 55:635* NESIOTOBACTER Donachie et al. 2006 56:565* Nesiotobacter exalbescens Donachie et al. 2006 56:567* NESTERENKONIA Stackebrandt et al. 1995 emend. Collins et al. 2002 emend. Li et al. 2005 45:689* Nesterenkonia aethiopica Delgado et al. 2006 56:1232* Nesterenkonia halobia (Onishi and Kamekura 1972) Stackebrandt et al. 1995 45:689* Nesterenkonia halotolerans Li et al. 2004 54:840* Nesterenkonia lacusekhoensis Collins et al. 2002 52:1149* Nesterenkonia lutea Li et al. 2005 55:466* Nesterenkonia sandarakina Li et al. 2005 55:465* Nesterenkonia xinjiangensis Li et al. 2004 54:840* NEVSKIA Famintzin 1892 30:335 (AL) Nevskia ramosa Famintzin 1892 30:335 (AL) NIASTELLA Weon et al. 2006 56:1779* Niastella koreensis Weon et al. 2006 56:1779* Niastella yeongjuensis Weon et al. 2006 56:1781* NICOLETELLA Kuhnert et al. 2005 55:547 Nicoletella semolina Kuhnert et al. 2005 55:547 NITRATIFRACTOR Nakagawa et al. 2005 55:931* Nitratifractor salsuginis Nakagawa et al. 2005 55:931* NITRATIREDUCTOR Labb‚ et al. 2004 54:272* Nitratireductor aquibiodomus Labb‚ et al. 2004 54:273* NITRATIRUPTOR Nakagawa et al. 2005 55:931* Nitratiruptor tergarcus Nakagawa et al. 2005 55:931* NITRINCOLA Dimitriu et al. 2005 55:2277* Nitrincola lacisaponensis Dimitriu et al. 2005 55:2277* NITROBACTER Winogradsky 1892 30:335 (AL) Nitrobacter alkalicus Sorokin et al. 1999 49:1325 Nitrobacter hamburgensis Bock et al. 2001 51:1 Nitrobacter vulgaris Bock et al. 2001 51:1 Nitrobacter winogradskyi Winslow et al. 1917 30:335 (AL) NITROCOCCUS Watson and Waterbury 1971 30:336 (AL) Nitrococcus mobilis Watson and Waterbury 1971 30:336 (AL) NITROSOCOCCUS Winogradsky 1892 30:336 (AL) Nitrosococcus nitrosus (Migula 1900) Buchanan 1925 30:336 (AL) Nitrosococcus oceani (Watson 1965) Watson 1971 (corrig.) 30:336 (AL) NITROSOLOBUS Watson et al. 1971 30:336 (AL) Nitrosolobus multiformis -> Nitrosospira multiformis NITROSOMONAS Winogradsky 1892 30:336 (AL) Nitrosomonas aestuarii Koops et al. 2001 51:1945 Nitrosomonas communis Koops et al. 2001 51:1945 Nitrosomonas europaea Winogradsky 1892 30:336 (AL) Nitrosomonas eutropha Koops et al. 2001 51:1945 Nitrosomonas halophila Koops et al. 2001 51:1945 Nitrosomonas marina Koops et al. 2001 51:1945 Nitrosomonas nitrosa Koops et al. 2001 51:1945 Nitrosomonas oligotropha Koops et al. 2001 51:1945 Nitrosomonas ureae Koops et al. 2001 51:1945 NITROSOSPIRA Winogradsky and Winogradsky 1933 emend. Head et al. 1993 30:336 (AL) Nitrosospira briensis Winogradsky and Winogradsky 1933 30:336 (AL) Nitrosospira multiformis (Watson et al. 1971) Head et al. 1995 45:619 Nitrosospira tenuis (ex Harms et al. 1976) Head et al. 1995 45:619 NITROSPINA Watson and Waterbury 1971 30:336 (AL) Nitrospina gracilis Watson and Waterbury 1971 30:336 (AL) NITROSPIRA Watson et al. 1986 36:489 Nitrospira marina Watson et al. 1986 36:489 Nitrospira moscoviensis Ehrich et al. 2001 51:1 NOCARDIA Trevisan 1889 30:337 (AL) Nocardia abscessus Yassin et al. 2000 50:1492* Nocardia africana Hamid et al. 2001 51:1229 Nocardia alba Li et al. 2004 54:1425 Nocardia amarae -> Gordonia amarae Nocardia anaemiae Kageyama et al. 2005 55:1396 Nocardia aobensis Kageyama et al. 2005 55:547 Nocardia araoensis Kageyama et al. 2004 54:2028* Nocardia arthritidis Kageyama et al. 2005 55:1 Nocardia asiatica Kageyama et al. 2004 54:127* Nocardia asteroides (Eppinger 1891) Blanchard 1896 30:337 (AL) Nocardia autotrophica -> Pseudonocardia autotrophica Nocardia beijingensis Wang et al. 2001 51:1785* Nocardia brasiliensis (Lindenberg 1909) Pinoy 1913 30:337 (AL) Nocardia brevicatena (Lechevalier et al. 1961) Goodfellow and Pirouz 1982 32:384 Nocardia caishijiensis Zhang et al. 2003 53:1003* Nocardia calcarea => Rhodococcus erythropolis Nocardia carnea (Rossi Doria 1891) Castellani and Chalmers 1913 30:337 (AL) Nocardia cellulans -> Cellulosimicrobium cellulans Nocardia cerradoensis Albuquerque de Barros et al. 2003 53:32* Nocardia coeliaca (Gray and Thornton 1928) Waksman and Henrici 1948 30:337 (AL) Nocardia concava Kageyama et al. 2005 55:2083* Nocardia corynebacterioides -> Rhodococcus corynebacterioides Nocardia crassostreae Friedman et al. 1998 48:244* Nocardia cummidelens Maldonado et al. 2001 51:1619 Nocardia cyriacigeorgica Yassin et al. 2001 (corrig.) 51:1422* Nocardia cyriacigeorgica see: Nocardia cyriacigeorgica Nocardia elegans Yassin and Brenner 2005 55:1508* Nocardia exalbida Iida et al. 2006 56:1195* Nocardia farcinica Trevisan 1889 30:337 (AL) Nocardia flavorosea Chun et al. 1998 48:904* Nocardia fluminea Maldonado et al. 2001 51:1619 Nocardia globerula (Gray 1928) Waksman and Henrici 1948 30:337 (AL) Nocardia harenae Seo and Lee 2006 56:2206* Nocardia higoensis Kageyama et al. 2004 54:1930* Nocardia hydrocarbonoxydans -> Pseudonocardia hydrocarbonoxydans Nocardia ignorata Yassin et al. 2001 51:2130* Nocardia inohanensis Kageyama et al. 2004 54:568* Nocardia jejuensis Lee 2006 56:561* Nocardia jiangxiensis Cui et al. 2005 55:1924* Nocardia kruczakiae Conville et al. 2005 55:547 Nocardia lijiangensis Xu et al. 2006 56:2025* Nocardia mediterranei -> Amycolatopsis mediterranei Nocardia mexicana Rodr¡guez-Nava et al. 2006 56:925 Nocardia miyunensis Cui et al. 2005 55:1924* Nocardia neocaledoniensis Saintpierre-Bonaccio et al. 2004 54:602* Nocardia niigatensis Kageyama et al. 2004 54:568* Nocardia nova Tsukamura 1983 33:896 Nocardia orientalis -> Amycolatopsis orientalis subsp. orientalis Nocardia otitidis-caviarum see: Nocardia otitidiscaviarum Nocardia otitidiscaviarum Snijders 1924 30:338 (AL) Nocardia paucivorans Yassin et al. 2000 50:807* Nocardia petroleophila -> Pseudonocardia petroleophila Nocardia pigrifrangens Wang et al. 2004 54:1685* Nocardia pinensis -> Skermania piniformis Nocardia pneumoniae Kageyama et al. 2004 54:2028 Nocardia polyresistens Xu et al. 2005 55:1469* Nocardia pseudobrasiliensis Ruimy et al. 1996 46:263* Nocardia pseudovaccinii Kim et al. 2002 52:1828* Nocardia puris Yassin et al. 2003 53:1598* Nocardia restricta => Rhodococcus equi Nocardia rugosa => Prauserella rugosa Nocardia salmonicida Isik et al. 1999 49:834* Nocardia saturnea -> Pseudonocardia saturnea Nocardia seriolae Kudo et al. 1988 38:173* Nocardia shimofusensis Kageyama et al. 2004 54:1930 Nocardia sienata Kageyama et al. 2004 (corrig.) 54:1005 Nocardia soli Maldonado et al. 2001 51:1619 Nocardia sulphurea => Amycolatopsis sulphurea Nocardia takedensis Yamamura et al. 2005 55:435* Nocardia tenerifensis K„mpfer et al. 2004 54:383* Nocardia testacea Kageyama et al. 2004 (corrig.) 54:1005 Nocardia thailandica Kageyama et al. 2005 55:547 Nocardia transvalensis Pijper and Pullinger 1927 30:338 (AL) Nocardia uniformis (ex Marton and Szab¢ 1959) Isik et al. 1999 49:1229* Nocardia vaccinii Demaree and Smith 1952 30:338 (AL) Nocardia vermiculata Kageyama et al. 2005 55:547 Nocardia veterana Grtler et al. 2001 51:935* Nocardia vinacea Kinoshita et al. 2002 52:3 Nocardia xishanensis Zhang et al. 2004 54:2304* Nocardia yamanashiensis Kageyama et al. 2004 54:568* NOCARDIOIDES Prauser 1976 30:338 (AL) Nocardioides aestuarii Yi and Chun 2004 54:2152* Nocardioides albus Prauser 1976 30:338 (AL) Nocardioides alkalitolerans Yoon et al. 2005 55:813* Nocardioides aquaticus Lawson et al. 2000 50:1953 Nocardioides aquiterrae Yoon et al. 2004 54:74* Nocardioides aromaticivorans Kubota et al. 2005 55:984 Nocardioides dubius Yoon et al. 2005 55:2211* Nocardioides fastidiosa see: Nocardioides fastidiosus Nocardioides fastidiosus (corrig.) -> Aeromicrobium fastidiosum Nocardioides ganghwensis Yi and Chun 2004 54:1298* Nocardioides jensenii (Suzuki and Komagata 1983) Collins et al. 1989 39:3* Nocardioides kongjuensis Yoon et al. 2006 56:1786* Nocardioides kribbensis Yoon et al. 2005 55:1614* Nocardioides lentus Yoon et al. 2006 56:275* Nocardioides luteus Prauser 1985 35:223 Nocardioides nitrophenolicus Yoon et al. 1999 49:679* Nocardioides oleivorans Schippers et al. 2005 55:1503* Nocardioides plantarum Collins et al. 1994 44:525* Nocardioides pyridinolyticus Yoon et al. 1997 47:935* Nocardioides simplex (Jensen 1934) O'Donnell et al. 1983 33:896, 39:1* NOCARDIOPSIS (Brocq-Rousseau 1904) Meyer 1976 30:338 (AL) Nocardiopsis aegyptia Sabry et al. 2004 54:456* Nocardiopsis africana -> Nonomuraea africana Nocardiopsis alba Grund and Kroppenstedt 1990 (corrig.) 40:5* Nocardiopsis alba subsp. alba see: Nocardiopsis alba Nocardiopsis alba subsp. prasina -> Nocardiopsis prasina Nocardiopsis alborubida -> Nocardiopsis dassonvillei subsp. albirubida Nocardiopsis alborubidus see: Nocardiopsis dassonvillei subsp. albirubida Nocardiopsis albus subsp. albus see: Nocardiopsis alba subsp. alba Nocardiopsis albus subsp. prasina see: Nocardiopsis prasina Nocardiopsis alkaliphila Hozzein et al. 2004 54:251* Nocardiopsis antarctica => Nocardiopsis dassonvillei subsp. dassonvillei Nocardiopsis antarcticus see: Nocardiopsis antarctica Nocardiopsis baichengensis Li et al. 2006 56:1095* Nocardiopsis chromatogenes Li et al. 2006 56:1094* Nocardiopsis coeruleofusca -> Saccharothrix coeruleofusca Nocardiopsis composta K„mpfer et al. 2002 (corrig.) 52:627* Nocardiopsis compostus see: Nocardiopsis composta Nocardiopsis dassonvillei -> Nocardiopsis dassonvillei subsp. dassonvillei Nocardiopsis dassonvillei subsp. albirubida (Grund and Kroppenstedt 1990) Evtushenko et al. 2000 50:80* Nocardiopsis dassonvillei subsp. dassonvillei (Brocq-Rousseau 1904) Meyer 1976 30:338 (AL) Nocardiopsis dassonvillei subsp. prasina -> Nocardiopsis prasina Nocardiopsis exhalans Peltola et al. 2002 52:3 Nocardiopsis flava -> Lechevalieria flava Nocardiopsis gilva Li et al. 2006 56:1093* Nocardiopsis halophila Al-Tai and Ruan 1994 44:477* Nocardiopsis halotolerans Al-Zarban et al. 2002 52:528* Nocardiopsis kunsanensis Chun et al. 2000 50:1911* Nocardiopsis listeri Grund and Kroppenstedt 1990 40:10* Nocardiopsis longispora -> Saccharothrix longispora Nocardiopsis lucentensis Yassin et al. 1993 43:268* Nocardiopsis metallicus Schippers et al. 2002 52:2294* Nocardiopsis mutabilis -> Saccharothrix mutabilis subsp. mutabilis Nocardiopsis prasina (Miyashita et al. 1984) Yassin et al. 1997 47:987* Nocardiopsis rhodophaea Li et al. 2006 56:1094* Nocardiopsis rosea Li et al. 2006 56:1094* Nocardiopsis salina Li et al. 2004 emend. Li et al. 2006 54:1808* Nocardiopsis synnemataformans Yassin et al. 1997 47:986* Nocardiopsis syringae -> Saccharothrix syringae Nocardiopsis trehalosi (ex Dolak et al. 1981) Evtushenko et al. 2000 50:79* Nocardiopsis tropica Evtushenko et al. 2000 50:79* Nocardiopsis umidischolae Peltola et al. 2002 52:3 Nocardiopsis xinjiangensis Li et al. 2003 53:320* NONLABENS Lau et al. 2005 55:2281* Nonlabens tegetincola Lau et al. 2005 emend. Lau et al. 2006 55:2282* NONOMURAEA Zhang et al. 1998 (corrig.) 48:419* Nonomuraea africana (Preobrazhenskaya and Sveshnikova 1974) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea angiospora (Zhukova et al. 1968) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea dietziae Stackebrandt et al. 2001 (corrig.) 51:1439* Nonomuraea dietzii see: Nonomuraea dietziae Nonomuraea fastidiosa (Soina et al. 1975) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea ferruginea (Meyer 1981) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea flexuosa -> Thermopolyspora flexuosa Nonomuraea helvata (Nonomura and Ohara 1971) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea kuesteri K„mpfer et al. 2005 55:850* Nonomuraea longicatena Chiba et al. 1999 49:1628* Nonomuraea polychroma (Galatenko et al. 1987) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea pusilla (Nonomura and Ohara 1971) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea recticatena (Terekhova et al. 1987) Zhang et al. 1998 (corrig.) 48:419* Nonomuraea roseola (Lavrova and Preobrazhenskaya 1975) Zhang et al. 1998 (corrig.) 48:420* Nonomuraea roseoviolacea (corrig.) see: Nonomuraea roseoviolacea subsp. roseoviolacea Nonomuraea roseoviolacea subsp. carminata (Gauze et al. 1973) Gyobu and Miyadoh 2001 51:887* Nonomuraea roseoviolacea subsp. roseoviolacea (Nonomura and Ohara 1971) Zhang et al. 1998 (corrig.) 48:420* Nonomuraea rubra (Sveshnikova et al. 1969) Zhang et al. 1998 (corrig.) 48:420* Nonomuraea salmonea (Preobrazhenskaya et al. 1975) Zhang et al. 1998 (corrig.) 48:420* Nonomuraea spiralis (Meyer 1981) Zhang et al. 1998 (corrig.) 48:420* Nonomuraea turkmeniaca (Terekhova et al. 1987) Zhang et al. 1998 (corrig.) 48:420* NONOMURIA see: NONOMURAEA Nonomuria africana see: Nonomuraea africana Nonomuria angiospora see: Nonomuraea angiospora Nonomuria fastidiosa see: Nonomuraea fastidiosa Nonomuria ferruginea see: Nonomuraea ferruginea Nonomuria flexuosa see: Thermopolyspora flexuosa Nonomuria helvata see: Nonomuraea helvata Nonomuria polychroma see: Nonomuraea polychroma Nonomuria pusilla see: Nonomuraea pusilla Nonomuria recticatena see: Nonomuraea recticatena Nonomuria roseola see: Nonomuraea roseola Nonomuria roseoviolacea see: Nonomuraea roseoviolacea subsp. roseoviolacea Nonomuria rubra see: Nonomuraea rubra Nonomuria salmonea see: Nonomuraea salmonea Nonomuria spiralis see: Nonomuraea spiralis Nonomuria turkmeniaca see: Nonomuraea turkmeniaca NOVOSPHINGOBIUM = SPHINGOMONAS Novosphingobium aromaticivorans (corrig.) = Sphingomonas aromaticivorans Novosphingobium aromaticivorum see: Novosphingobium aromaticivorans Novosphingobium capsulatum = Sphingomonas capsulata Novosphingobium hassiacum K„mpfer et al. 2002 52:1437 Novosphingobium lentum Tiirola et al. 2005 55:581* Novosphingobium pentaromativorans Sohn et al. 2004 54:1486* Novosphingobium rosa (corrig.) = Sphingomonas rosa Novosphingobium roseae see: Novosphingobium rosa Novosphingobium stygiae see: Novosphingobium stygium Novosphingobium stygium (corrig.) = Sphingomonas stygia Novosphingobium subarcticum = Sphingomonas subarctica Novosphingobium subterraneae see: Novosphingobium subterraneum Novosphingobium subterraneum (corrig.) = Sphingomonas subterranea Novosphingobium taihuense Liu et al. 2005 55:1231* Novosphingobium tardaugens Fujii et al. 2003 53:51* OBESUMBACTERIUM Shimwell 1963 30:338 (AL) Obesumbacterium proteus (Shimwell and Grimes 1936) Shimwell 1963 30:338 (AL) OCEANIBULBUS Wagner-D”bler et al. 2004 54:1183* Oceanibulbus indolifex Wagner-D”bler et al. 2004 54:1183* OCEANICAULIS Str”mpl et al. 2003 53:1905* Oceanicaulis alexandrii Str”mpl et al. 2003 53:1905* OCEANICOLA Cho and Giovannoni 2004 54:1133* Oceanicola batsensis Cho and Giovannoni 2004 54:1134* Oceanicola granulosus Cho and Giovannoni 2004 54:1133* OCEANIMONAS Brown et al. 2001 emend. Ivanova et al. 2005 (corrig.) 51:71* Oceanimonas baumannii Brown et al. 2001 (corrig.) 51:71* Oceanimonas doudoroffii (Baumann et al. 1972) Brown et al. 2001 (corrig.) 51:71* Oceanimonas smirnovii Ivanova et al. 2005 55:984 OCEANISPHAERA Romanenko et al. 2003 53:1887* Oceanisphaera donghaensis Park et al. 2006 56:898* Oceanisphaera litoralis Romanenko et al. 2003 53:1888* OCEANITHERMUS Miroshnichenko et al. 2003 emend. Mori et al. 2004 53:751* Oceanithermus desulfurans Mori et al. 2004 54:1565* Oceanithermus profundus Miroshnichenko et al. 2003 53:751* OCEANOBACILLUS Lu et al. 2002 emend. Lee et al. 2006 52:687 Oceanobacillus iheyensis Lu et al. 2002 52:687 Oceanobacillus oncorhynchi -> Oceanobacillus oncorhynchi subsp. oncorhynchi Oceanobacillus oncorhynchi subsp. incaldanensis Romano et al. 2006 56:809* Oceanobacillus oncorhynchi subsp. oncorhynchi Yumoto et al. 2005 56:809* Oceanobacillus picturae (Heyrman et al. 2003) Lee et al. 2006 56:256* OCEANOBACTER Satomi et al. 2002 52:745* Oceanobacter kriegii (Bowditch et al. 1984) Satomi et al. 2002 52:745* OCEANOMONAS see: OCEANIMONAS Oceanomonas baumannii see: Oceanimonas baumannii Oceanomonas doudoroffii see: Oceanimonas doudoroffii OCEANOSPIRILLUM Hylemon et al. 1973 emend. Satomi et al. 2002 30:338 (AL) Oceanospirillum beijerinckii (Williams and Rittenberg 1957) Hylemon et al. 1973 30:338 (AL) Oceanospirillum beijerinckii subsp. beijerinckii see: Oceanospirillum beijerinckii Oceanospirillum beijerinckii subsp. pelagicum see: Oceanospirillum beijerinckii Oceanospirillum commune = Marinomonas communis Oceanospirillum hiroshimense -> Oceanospirillum maris Oceanospirillum jannaschii -> Marinobacterium jannaschii Oceanospirillum japonicum -> Pseudospirillum japonicum Oceanospirillum kriegii -> Oceanobacter kriegii Oceanospirillum linum (Williams and Rittenberg 1957) Hylemon et al. 1973 30:339 (AL) Oceanospirillum maris Hylemon et al. 1973 30:339 (AL) Oceanospirillum maris subsp. hiroshimense see: Oceanospirillum maris Oceanospirillum maris subsp. maris see: Oceanospirillum maris Oceanospirillum maris subsp. williamsae see: Oceanospirillum maris Oceanospirillum minutulum -> Marinospirillum minutulum Oceanospirillum multiglobuliferum (Terasaki 1973) Terasaki 1979 30:339 (AL) Oceanospirillum pelagicum -> Oceanospirillum beijerinckii Oceanospirillum pusillum -> Terasakiella pusilla Oceanospirillum vagum = Marinomonas vaga OCHROBACTRUM Holmes et al. 1988 38:406* Ochrobactrum anthropi Holmes et al. 1988 38:406* Ochrobactrum gallinifaecis K„mpfer et al. 2003 53:896* Ochrobactrum grignonense Lebuhn et al. 2000 50:2221* Ochrobactrum intermedium Velasco et al. 1998 48:767* Ochrobactrum lupini Trujillo et al. 2006 56:1459* Ochrobactrum oryzae Tripathi et al. 2006 56:1679* Ochrobactrum tritici Lebuhn et al. 2000 50:2222* OCTADECABACTER Gosink et al. 1998 48:327 Octadecabacter antarcticus Gosink et al. 1998 48:327 Octadecabacter arcticus Gosink et al. 1998 48:327 OENOCOCCUS Dicks et al. 1995 emend. Endo and Okada 2006 45:396* Oenococcus kitaharae Endo and Okada 2006 56:2347* Oenococcus oeni (Garvie 1967) Dicks et al. 1995 45:397* OERSKOVIA Prauser et al. 1970 emend. Stackebrandt et al. 2002 30:339 (AL) 52:1108* Oerskovia enterophila (J ger et al. 1983) Stackebrandt et al. 2002 52:1110* Oerskovia jenensis Stackebrandt et al. 2002 52:1110* Oerskovia paurometabola Stackebrandt et al. 2002 52:1110* Oerskovia turbata (Erikson 1954) Prauser et al. 1970 emend. Stackebrandt et al. 2002 30:339 (AL) 52:1109* Oerskovia xanthineolytica => Cellulosimicrobium cellulans OKIBACTERIUM Evtushenko et al. 2002 52:991* Okibacterium fritillariae Evtushenko et al. 2002 52:992* OLEIPHILUS Golyshin et al. 2002 52:909* Oleiphilus messinensis Golyshin et al. 2002 52:910* OLEISPIRA Yakimov et al. 2003 53:784* Oleispira antarctica Yakimov et al. 2003 53:784* OLIGELLA Rossau et al. 1987 37:198* Oligella ureolytica Rossau et al. 1987 37:198* Oligella urethralis (Lautrop et al. 1970) Rossau et al. 1987 37:198* OLIGOTROPHA Meyer et al. 1994 44:182 Oligotropha carboxidovorans (ex Meyer and Schlegel 1978) Meyer et al. 1994 44:182 OLLEYA Mancuso Nichols et al. 2005 55:1560* Olleya marilimosa Mancuso Nichols et al. 2005 55:1560* OLSENELLA Dewhirst et al. 2001 51:1802* Olsenella profusa Dewhirst et al. 2001 51:1803* Olsenella uli (Olsen et al. 1991) Dewhirst et al. 2001 51:1803* OPITUTUS Chin et al. 2001 51:1967* Opitutus terrae Chin et al. 2001 51:1968* ORENIA Rainey and Stackebrandt 1995 45:880 Orenia marismortui (Oren et al. 1988) Rainey et al. 1995 45:880 Orenia salinaria Moun‚ et al. 2000 50:728* Orenia sivashensis Zhilina et al. 2000 50:3 ORIBACTERIUM Carlier et al. 2004 54:1614* Oribacterium sinus Carlier et al. 2004 54:1614* ORIBACULUM => PORPHYROMONAS Oribaculum catoniae -> Porphyromonas catoniae ORIENTIA Tamura et al. 1995 45:590* Orientia tsutsugamushi (Hayashi 1920) Tamura et al. 1995 45:590* ORNITHINIBACILLUS Mayr et al. 2006 56:1386* Ornithinibacillus bavariensis Mayr et al. 2006 56:1387* Ornithinibacillus californiensis Mayr et al. 2006 56:1388* ORNITHINICOCCUS Groth et al. 1999 49:1722* Ornithinicoccus hortensis Groth et al. 1999 49:1723* ORNITHINIMICROBIUM Groth et al. 2001 51:85* Ornithinimicrobium humiphilum Groth et al. 2001 51:85* Ornithinimicrobium kibberense Mayilraj et al. 2006 56:1660* ORNITHOBACTERIUM Vandamme et al. 1994 44:35* Ornithobacterium rhinotracheale Vandamme et al. 1994 44:35* ORYZIHUMUS Kageyama et al. 2005 55:2558* Oryzihumus leptocrescens Kageyama et al. 2005 55:2558* OSCILLOCHLORIS Gorlenko and Pivovarova 1989 emend. Keppen et al. 2000 39:496 Oscillochloris chrysea Gorlenko and Pivovarova 1989 39:496 Oscillochloris trichoides (ex Szafer) Gorlenko and Korotkov 1989 emend. Keppen et al. 2000 39:496 OSCILLOSPIRA Chatton and Perard 1913 30:340 (AL) Oscillospira guilliermondii Chatton and Perard 1913 30:340 (AL) OTTOWIA Spring et al. 2004 54:104* Ottowia thiooxydans Spring et al. 2004 54:104* OWENWEEKSIA Lau et al. 2005 55:1055* Owenweeksia hongkongensis Lau et al. 2005 55:1055* OXALICIBACTERIUM Tamer et al. 2003 53:627 Oxalicibacterium flavum Tamer et al. 2003 53:627 OXALOBACTER Allison et al. 1985 35:375 Oxalobacter formigenes Allison et al. 1985 35:375 Oxalobacter vibrioformis Dehning and Schink 1990 40:320 OXALOPHAGUS Collins et al. 1994 44:822* Oxalophagus oxalicus (Dehning and Schink 1990) Collins et al. 1994 44:822* OXOBACTER Collins et al. 1994 44:822* Oxobacter pfennigii (Krumholz and Bryant 1985) Collins et al. 1994 44:822* PAENIBACILLUS Ash et al. 1994 emend. Shida et al. 1997 44:852 Paenibacillus agarexedens (ex Wieringa 1941) Uetanabaro et al. 2003 53:1056* Paenibacillus agaridevorans Uetanabaro et al. 2003 53:1056* Paenibacillus alginolyticus (Nakamura 1987) Shida et al. 1997 47:295* Paenibacillus alkaliterrae Yoon et al. 2005 55:2343* Paenibacillus alvei (Cheshire and Cheyne 1885) Ash et al. 1994 45:197 Paenibacillus amylolyticus (Nakamura 1984) Ash et al. 1994 emend. Shida et al. 1997 45:197 Paenibacillus anaericanus Horn et al. 2005 55:1263* Paenibacillus antarcticus Montes et al. 2004 54:1524* Paenibacillus apiarius (ex Katznelson 1955) Nakamura 1996 46:692* Paenibacillus assamensis Saha et al. 2005 55:2579* Paenibacillus azoreducens Meehan et al. 2001 51:1684* Paenibacillus azotofixans (Seldin et al. 1984) Ash et al. 1994 45:197 Paenibacillus barcinonensis S nchez et al. 2005 55:938* Paenibacillus barengoltzii Osman et al. 2006 56:1514* Paenibacillus borealis Elo et al. 2001 51:542* Paenibacillus brasilensis von der Weid et al. 2002 52:2152* Paenibacillus campinasensis Yoon et al. 1998 48:836* Paenibacillus chibensis Shida et al. 1997 47:306* Paenibacillus chinjuensis Yoon et al. 2002 52:419* Paenibacillus chitinolyticus (Kuroshima et al. 1996) Lee et al. 2004 54:932* Paenibacillus chondroitinus (Nakamura 1987) Shida et al. 1997 47:297* Paenibacillus cineris Logan et al. 2004 54:1075* Paenibacillus cookii Logan et al. 2004 54:1076* Paenibacillus curdlanolyticus (Kanzawa et al. 1995) Shida et al. 1997 47:297* Paenibacillus daejeonensis Lee et al. 2002 52:2110* Paenibacillus dendritiformis Tcherpakov et al. 1999 49:244* Paenibacillus durum see: Paenibacillus durus Paenibacillus durus (corrig.) => Paenibacillus azotofixans Paenibacillus ehimensis (Kuroshima et al. 1996) Lee et al. 2004 54:932* Paenibacillus elgii Kim et al. 2004 54:2034* Paenibacillus favisporus Vel zquez et al. 2004 54:63* Paenibacillus gansuensis Lim et al. 2006 56:2133* Paenibacillus glucanolyticus (Alexander and Priest 1989) Shida et al. 1997 47:297* Paenibacillus glycanilyticus Dasman et al. 2002 52:1671* Paenibacillus gordonae => Paenibacillus validus Paenibacillus graminis Berge et al. 2002 52:613* Paenibacillus granivorans Van der Maarel et al. 2001 51:263 Paenibacillus hodogayensis Takeda et al. 2005 55:740* Paenibacillus illinoisensis Shida et al. 1997 47:304* Paenibacillus jamilae Aguilera et al. 2001 51:1691* Paenibacillus kobensis (Kanzawa et al. 1995) Shida et al. 1997 47:297* Paenibacillus koleovorans Takeda et al. 2002 52:1600* Paenibacillus koreensis Chung et al. 2000 50:1499* Paenibacillus kribbensis Yoon et al. 2003 53:300* Paenibacillus lactis Scheldeman et al. 2004 54:890* Paenibacillus larvae (White 1906) Ash et al. 1994 emend. Heyndrickx et al. 1996 emend. Genersch et al. 2006 45:197 Paenibacillus larvae see: Paenibacillus larvae subsp. larvae Paenibacillus larvae subsp. larvae -> Paenibacillus larvae Paenibacillus larvae subsp. pulvifaciens -> Paenibacillus larvae Paenibacillus lautus (Nakamura 1984) Heyndrickx et al. 1996 46:995* Paenibacillus lentimorbus (Dutky 1940) Pettersson et al. 1999 49:538* Paenibacillus macerans (Schardinger 1905) Ash et al. 1994 45:197 Paenibacillus macquariensis (Marshall and Ohye 1966) Ash et al. 1994 45:197 Paenibacillus massiliensis Roux and Raoult 2004 54:1053* Paenibacillus mendelii Smerda et al. 2005 55:2353* Paenibacillus motobuensis Iida et al. 2005 55:1815* Paenibacillus naphthalenovorans Daane et al. 2002 52:137* Paenibacillus nematophilus Enright et al. 2003 53:440* Paenibacillus odorifer Berge et al. 2002 52:614* Paenibacillus pabuli (Nakamura 1984) Ash et al. 1994 45:197 Paenibacillus pasadenensis Osman et al. 2006 56:1512* Paenibacillus peoriae (Montefusco et al. 1993) Heyndrickx et al. 1996 46:999* Paenibacillus phyllosphaerae Rivas et al. 2005 55:745* Paenibacillus polymyxa (Prazmowski 1880) Ash et al. 1994 44:852 Paenibacillus popilliae (Dutky 1940) Pettersson et al. 1999 49:539* Paenibacillus pulvifaciens -> Paenibacillus larvae subsp. pulvifaciens Paenibacillus rhizosphaerae Rivas et al. 2005 55:1308* Paenibacillus sanguinis Roux and Raoult 2004 54:1053* Paenibacillus sepulcri Smerda et al. 2006 56:2343* Paenibacillus stellifer Suominen et al. 2003 53:1373* Paenibacillus terrae Yoon et al. 2003 53:300* Paenibacillus thiaminolyticus (Nakamura 1990) Shida et al. 1997 47:297* Paenibacillus timonensis Roux and Raoult 2004 54:1053* Paenibacillus turicensis Bosshard et al. 2002 52:2247* Paenibacillus validus (Nakamura 1984) Ash et al. 1994 emend. Heyndrickx et al. 1995 45:197 Paenibacillus wynnii Rodr¡guez-D¡az et al. 2005 55:2098* Paenibacillus xylanilyticus Rivas et al. 2005 55:407* PALAEOCOCCUS Takai et al. 2000 50:498* Palaeococcus ferrophilus Takai et al. 2000 50:498* Palaeococcus helgesonii Amend et al. 2006 56:3 PALLERONIA Mart¡nez-Checa et al. 2005 55:2528* Palleronia marisminoris Mart¡nez-Checa et al. 2005 55:2529* PALUDIBACTER Ueki et al. 2006 56:43* Paludibacter propionicigenes Ueki et al. 2006 56:43* PANDORAEA Coenye et al. 2000 50:895* Pandoraea apista Coenye et al. 2000 50:896* Pandoraea norimbergensis (Wittke et al. 1998) Coenye et al. 2000 50:896* Pandoraea pnomenusa Coenye et al. 2000 50:896* Pandoraea pulmonicola Coenye et al. 2000 50:896* Pandoraea sputorum Coenye et al. 2000 50:897* PANNONIBACTER Borsodi et al. 2003 53:559* Pannonibacter phragmitetus Borsodi et al. 2003 53:560* PANTOEA Gavini et al. 1989 39:343* Pantoea agglomerans (Ewing and Fife 1972) Gavini et al. 1989 39:343* Pantoea ananatis (Serrano 1928) Mergaert et al. 1993 (corrig.) 43:170* Pantoea citrea Kageyama et al. 1992 42:209* Pantoea dispersa Gavini et al. 1989 39:344* Pantoea punctata Kageyama et al. 1992 42:209* Pantoea stewartii (Smith 1898) Mergaert et al. 1993 43:170* Pantoea stewartii subsp. indologenes Mergaert et al. 1993 43:171* Pantoea stewartii subsp. stewartii (Smith 1898) Mergaert et al. 1993 43:170* Pantoea terrea Kageyama et al. 1992 42:210* PAPILLIBACTER Defnoun et al. 2000 50:1227* Papillibacter cinnamivorans Defnoun et al. 2000 50:1227* PARABACTEROIDES Sakamoto and Benno 2006 56:1602* Parabacteroides distasonis (Eggerth and Gagnon 1933) Sakamoto and Benno 2006 56:1602* Parabacteroides goldsteinii (Song et al. 2006) Sakamoto and Benno 2006 56:1602* Parabacteroides merdae (Johnson et al. 1986) Sakamoto and Benno 2006 56:1604* PARACHLAMYDIA Everett et al. 1999 49:435* Parachlamydia acanthamoebae Everett et al. 1999 49:435* PARACOCCUS Davis 1969 30:340 (AL) Paracoccus alcaliphilus Urakami et al. 1989 39:118* Paracoccus alkenifer Lipski et al. 1998 48:535* Paracoccus aminophilus Urakami et al. 1990 40:289* Paracoccus aminovorans Urakami et al. 1990 40:289* Paracoccus carotinifaciens Tsubokura et al. 1999 49:281* Paracoccus denitrificans (Beijerinck and Minkman 1910) Davis 1969 emend. Rainey et al. 1999 30:340 (AL) Paracoccus haeundaensis Lee et al. 2004 54:1702* Paracoccus halodenitrificans -> Halomonas halodenitrificans Paracoccus homiensis Kim et al. 2006 56:2389* Paracoccus kocurii Ohara et al. 1990 40:293* Paracoccus kondratievae Doronina and Trotsenko 2001 emend. Doronina et al. 2002 51:1619 Paracoccus koreensis La et al. 2005 55:1659* Paracoccus marcusii Harker et al. 1998 48:547* Paracoccus methylutens Doronina et al. 1998 48:1083 Paracoccus pantotrophus (Robertson and Kuenen 1984) Rainey et al. 1999 49:650* Paracoccus seriniphilus Pukall et al. 2003 53:446* Paracoccus solventivorans Siller et al. 1996 emend. Lipski et al. 1998 46:1129* Paracoccus thiocyanatus Katayama et al. 1996 46:625 Paracoccus versutus (Harrison 1983) Katayama et al. 1996 46:625 Paracoccus yeei Daneshvar et al. 2003 (corrig.) 53:936 Paracoccus zeaxanthinifaciens Berry et al. 2003 53:237* PARACRAUROCOCCUS Saitoh et al. 1998 48:1045* Paracraurococcus ruber Saitoh et al. 1998 48:1046* PARALACTOBACILLUS Leisner et al. 2000 50:22* Paralactobacillus selangorensis Leisner et al. 2000 50:23* PARALIOBACILLUS Ishikawa et al. 2003 53:627 Paraliobacillus ryukyuensis Ishikawa et al. 2003 53:627 PARASCARDOVIA Jian and Dong 2002 52:811* Parascardovia denticolens (Crociani et al. 1996) Jian and Dong 2002 52:811* PARASPOROBACTERIUM Lomans et al. 2004 54:307 Parasporobacterium paucivorans Lomans et al. 2004 54:307 PARVIBACULUM Schleheck et al. 2004 54:1496* Parvibaculum lavamentivorans Schleheck et al. 2004 54:1496* PARVULARCULA Cho and Giovannoni 2003 53:1035* Parvularcula bermudensis Cho and Giovannoni 2003 53:1035* PASTEURELLA Trevisan 1887 30:340 (AL) Pasteurella aerogenes McAllister and Carter 1974 emend. Christensen et al. 2005 30:340 (AL) Pasteurella anatis -> Gallibacterium anatis Pasteurella avium -> Avibacterium avium Pasteurella bettii see: Pasteurella bettyae Pasteurella bettyae Sneath and Stevens 1990 (corrig.) 40:151* Pasteurella caballi Schlater et al. 1990 40:320 Pasteurella canis Mutters et al. 1985 35:309* Pasteurella dagmatis Mutters et al. 1985 35:309* Pasteurella gallinarum -> Avibacterium gallinarum Pasteurella granulomatis -> Mannheimia granulomatis Pasteurella haemolytica -> Mannheimia haemolytica Pasteurella langaaensis Mutters et al. 1985 (corrig.) 35:309* Pasteurella lymphangitidis Sneath and Stevens 1990 40:151* Pasteurella mairi see: Pasteurella mairii Pasteurella mairii Sneath and Stevens 1990 emend. Christensen et al. 2005 (corrig.) 40:152* Pasteurella multocida (Lehmann and Neumann 1899) Rosenbusch and Merchant 1939 30:340 (AL) Pasteurella multocida subsp. gallicida Mutters et al. 1985 35:319* Pasteurella multocida subsp. multocida (Lehmann and Neumann 1899) Rosenbusch and Merchant 1939 30:340 (AL) Pasteurella multocida subsp. septica Mutters et al. 1985 35:319* Pasteurella pneumotropica Jawetz 1950 30:340 (AL) Pasteurella skyensis Birkbeck et al. 2002 52:703* Pasteurella stomatis Mutters et al. 1985 35:309* Pasteurella testudinis Snipes and Biberstein 1982 32:209* Pasteurella trehalosi Sneath and Stevens 1990 40:152* Pasteurella ureae -> Actinobacillus ureae Pasteurella volantium -> Avibacterium volantium PASTEURIA Metchnikoff 1888 30:341 (AL) Pasteuria nishizawae Sayre et al. 1992 emend. Noel et al. 2005 42:327 Pasteuria penetrans (ex Thorne 1940) Sayre and Starr 1986 36:354 Pasteuria ramosa -> Pirellula staleyi Pasteuria thornei Starr and Sayre 1988 38:328* PATULIBACTER Takahashi et al. 2006 56:405* Patulibacter minatonensis Takahashi et al. 2006 56:405* PAUCIBACTER Rapala et al. 2005 55:1566* Paucibacter toxinivorans Rapala et al. 2005 55:1567* PAUCIMONAS Jendrossek 2001 51:906* Paucimonas lemoignei (Delafield et al. 1965) Jendrossek 2001 51:907* PAUCISALIBACILLUS Nunes et al. 2006 56:1842* Paucisalibacillus globulus Nunes et al. 2006 56:1842* PECTINATUS Lee et al. 1978 emend. Juvonen and Suihko 2006 30:341 (AL) Pectinatus cerevisiiphilus Lee et al. 1978 emend. Schleifer et al. 1990 30:341 (AL) Pectinatus frisingensis Schleifer et al. 1990 40:25* Pectinatus haikarae Juvonen and Suihko 2006 56:701* Pectinatus portalensis Gonzalez et al. 2005 55:547 PECTOBACTERIUM Waldee 1945 emend. Hauben et al. 1998 30:341 (AL) Pectobacterium atrosepticum (van Hall 1902) Gardan et al. 2003 53:390* Pectobacterium betavasculorum (Thomson et al. 1984) Gardan et al. 2003 53:390* Pectobacterium cacticida (Alcorn et al. 1991) Hauben et al. 1999 49:1 Pectobacterium cacticidum see: Pectobacterium cacticida Pectobacterium carnegieana = Erwinia carnegieana Pectobacterium carotovorum = Pectobacterium carotovorum subsp. carotovorum Pectobacterium carotovorum Pectobacterium carotovorum subsp. carotovorum Pectobacterium carotovorum subsp. atrosepticum -> Pectobacterium atrosepticum Pectobacterium carotovorum subsp. betavasculorum -> Pectobacterium betavasculorum Pectobacterium carotovorum subsp. carotovorum (Jones 1901) Hauben et al. 1999 emend. Gardan et al. 2003 49:2 Pectobacterium carotovorum subsp. odoriferum (Gallois et al. 1992) Hauben et al. 1999 emend. Gardan et al. 2003 49:2 Pectobacterium carotovorum subsp. wasabiae -> Pectobacterium wasabiae Pectobacterium chrysanthemi -> Dickeya chrysanthemi Pectobacterium cypripedii (Hori 1911) Brenner et al. 1973 emend. Hauben et al. 1998 30:341 (AL) Pectobacterium rhapontici = Erwinia rhapontici Pectobacterium wasabiae (Goto and Mazumoto 1987) Gardan et al. 2003 53:390* PEDIOCOCCUS Claussen 1903 30:341 (AL) Pediococcus acidilactici Lindner 1887 30:341 (AL) Pediococcus cellicola Zhang et al. 2005 55:2169* Pediococcus claussenii Dobson et al. 2002 52:2009* Pediococcus damnosus Claussen 1903 30:341 (AL) Pediococcus dextrinicus (Coster and White 1964) Back 1978 30:342 (AL) Pediococcus ethanolidurans Liu et al. 2006 56:2407* Pediococcus halophilus -> Tetragenococcus halophilus Pediococcus inopinatus Back 1988 38:221 Pediococcus parvulus Gunther and White 1961 30:342 (AL) Pediococcus pentosaceus Mees 1934 30:342 (AL) Pediococcus stilesii Franz et al. 2006 56:333* Pediococcus urinaeequi -> Aerococcus urinaeequi PEDOBACTER Steyn et al. 1998 emend. Vanparys et al. 2005 emend. Hwang et al. 2006 emend. Gallego et al. 2006 48:176* Pedobacter africanus Steyn et al. 1998 48:176* Pedobacter aquatilis Gallego et al. 2006 56:1854* Pedobacter caeni Vanparys et al. 2005 55:1317* Pedobacter cryoconitis Margesin et al. 2003 53:1295* Pedobacter heparinus (Payza and Korn 1956) Steyn et al. 1998 48:175* Pedobacter himalayensis Shivaji et al. 2005 55:1087* Pedobacter piscium (Takeuchi and Yokota 1993) Steyn et al. 1998 48:175* Pedobacter roseus Hwang et al. 2006 56:1834* Pedobacter saltans Steyn et al. 1998 48:176* Pedobacter sandarakinus Yoon et al. 2006 56:1276* PEDOMICROBIUM Aristovskaya 1961 emend. Gebers and Beese 1988 30:342 (AL) Pedomicrobium americanum Gebers and Beese 1988 38:310* Pedomicrobium australicum Gebers and Beese 1988 38:313* Pedomicrobium ferrugineum Aristovskaya 1961 emend. Gebers and Beese 1988 30:342 (AL) Pedomicrobium manganicum Aristovskaya 1961 30:342 (AL) PELAGIBACA Cho and Giovannoni 2006 56:857* Pelagibaca bermudensis Cho and Giovannoni 2006 56:858* PELCZARIA Poston 1994 (rejected name) 44:182 Pelczaria aurantia Poston 1994 (rejected name) 44:182 PELISTEGA Vandamme et al. 1998 48:437* Pelistega europaea Vandamme et al. 1998 48:437* PELOBACTER Schink and Pfennig 1983 33:896 Pelobacter acetylenicus Schink 1986 36:354 Pelobacter acidigallici Schink and Pfennig 1983 33:896 Pelobacter carbinolicus Schink 1984 34:356 Pelobacter massiliensis Schnell et al. 1991 41:580 Pelobacter propionicus Schink 1984 34:356 Pelobacter venetianus Schink and Stieb 1984 34:91 PELODICTYON -> CHLOROBIUM Pelodictyon clathratiforme -> Chlorobium clathratiforme Pelodictyon luteolum -> Chlorobium luteolum Pelodictyon phaeoclathratiforme -> Chlorobium clathratiforme Pelodictyon phaeum Gorlenko 1972 30:342 (AL) PELOMONAS Xie and Yokota 2005 55:2424* Pelomonas saccharophila (Doudoroff 1940) Xie and Yokota 2005 55:2424* PELOSPORA Matthies et al. 2000 50:647* Pelospora glutarica Matthies et al. 2000 50:647* PELOTOMACULUM Imachi et al. 2002 emend. de Bok et al. 2005 52:1734* Pelotomaculum isophthalicicum Qiu et al. 2006 (corrig.) 56:2026* Pelotomaculum isophthalicum see: Pelotomaculum isophthalicicum Pelotomaculum schinkii de Bok et al. 2005 55:1702* Pelotomaculum terephthalicicum Qiu et al. 2006 (corrig.) 56:2026* Pelotomaculum terephthalicum see: Pelotomaculum terephthalicicum Pelotomaculum thermopropionicum Imachi et al. 2002 52:1734* PEPTOCOCCUS Kluyver and van Niel 1936 30:343 (AL) Peptococcus asaccharolyticus -> Peptoniphilus asaccharolyticus Peptococcus glycinophilus => Micromonas micros Peptococcus heliotrinreducens -> Slackia heliotrinireducens Peptococcus indolicus -> Peptoniphilus indolicus Peptococcus magnus -> Finegoldia magna Peptococcus niger (Hall 1930) Kluyver and van Niel 1936 30:343 (AL) Peptococcus prevotii -> Anaerococcus prevotii Peptococcus saccharolyticus -> Staphylococcus saccharolyticus PEPTONIPHILUS Ezaki et al. 2001 51:1524* Peptoniphilus asaccharolyticus (Distaso 1912) Ezaki et al. 2001 51:1525* Peptoniphilus harei (Murdoch et al. 1997) Ezaki et al. 2001 51:1526* Peptoniphilus indolicus (Christiansen 1934) Ezaki et al. 2001 51:1525* Peptoniphilus ivorii (Murdoch et al. 1997) Ezaki et al. 2001 51:1526* Peptoniphilus lacrimalis (Li et al. 1992) Ezaki et al. 2001 51:1526* PEPTOSTREPTOCOCCUS Kluyver and van Niel 1936 emend. Ezaki et al. 2001 30:342 (AL) Peptostreptococcus anaerobius (Natvig 1905) Kluyver and van Niel 1936 30:343 (AL) Peptostreptococcus asaccharolyticus -> Peptoniphilus asaccharolyticus Peptostreptococcus barnesae -> Gallicola barnesae Peptostreptococcus harei -> Peptoniphilus harei Peptostreptococcus heliotrinreducens -> Slackia heliotrinireducens Peptostreptococcus hydrogenalis -> Anaerococcus hydrogenalis Peptostreptococcus indolicus -> Peptoniphilus indolicus Peptostreptococcus ivorii -> Peptoniphilus ivorii Peptostreptococcus lacrimalis -> Peptoniphilus lacrimalis Peptostreptococcus lactolyticus -> Anaerococcus lactolyticus Peptostreptococcus magnus -> Finegoldia magna Peptostreptococcus micros -> Micromonas micros Peptostreptococcus octavius -> Anaerococcus octavius Peptostreptococcus parvulus -> Atopobium parvulum Peptostreptococcus prevotii -> Anaerococcus prevotii Peptostreptococcus productus -> Ruminococcus productus Peptostreptococcus stomatis Downes and Wade 2006 56:753* Peptostreptococcus tetradius -> Anaerococcus tetradius Peptostreptococcus vaginalis -> Anaerococcus vaginalis PEREDIBACTER Davidov and Jurkevitch 2004 54:1451* Peredibacter starrii (Seidler et al. 1972) Davidov and Jurkevitch 2004 54:1451* PERSEPHONELLA G”tz et al. 2002 52:1357* Persephonella guaymasensis G”tz et al. 2002 52:1358* Persephonella hydrogeniphila Nakagawa et al. 2003 53:868* Persephonella marina G”tz et al. 2002 52:1357* PERSICIVIRGA O'Sullivan et al. 2006 56:178* Persicivirga xylanidelens O'Sullivan et al. 2006 56:178* PERSICOBACTER Nakagawa et al. 1997 47:221* Persicobacter diffluens (Reichenbach 1989) Nakagawa et al. 1997 47:222* PETRIMONAS Grabowski et al. 2005 55:1118* Petrimonas sulfuriphila Grabowski et al. 2005 55:1119* PETROBACTER Bonilla Salinas et al. 2004 54:648* Petrobacter succinatimandens Bonilla Salinas et al. 2004 54:648* PETROTOGA Davey et al. 1993 43:864 Petrotoga mexicana Miranda-Tello et al. 2004 54:173* Petrotoga miotherma Davey et al. 1993 43:864 Petrotoga mobilis Lien et al. 1998 48:1012* Petrotoga olearia L'Haridon et al. 2002 52:1720* Petrotoga sibirica L'Haridon et al. 2002 52:1720* PFENNIGIA => LAMPROCYSTIS Pfennigia purpurea -> Lamprocystis purpurea PHAEOBACTER Martens et al. 2006 56:1301* Phaeobacter gallaeciensis (Ruiz-Ponte et al. 1998) Martens et al. 2006 56:1301* Phaeobacter inhibens Martens et al. 2006 56:1301* PHAEOSPIRILLUM Imhoff et al. 1998 48:796* Phaeospirillum fulvum (van Niel 1944) Imhoff et al. 1998 48:797* Phaeospirillum molischianum (Giesberger 1947) Imhoff et al. 1998 48:797* PHASCOLARCTOBACTERIUM Del Dot et al. 1994 44:182 Phascolarctobacterium faecium Del Dot et al. 1994 44:182 PHENYLOBACTERIUM Lingens et al. 1985 emend. Kanso and Patel 2004 emend. Tiago et al. 2005 35:26* Phenylobacterium falsum Tiago et al. 2005 55:1744 Phenylobacterium immobile Lingens et al. 1985 35:26* Phenylobacterium koreense Aslam et al. 2005 55:2005* Phenylobacterium lituiforme Kanso and Patel 2004 54:2145* PHOCOENOBACTER Foster et al. 2000 50:138* Phocoenobacter uteri Foster et al. 2000 50:139* PHOTOBACTERIUM Beijerinck 1889 30:344 (AL) Photobacterium angustum Reichelt et al. 1979 30:344 (AL) Photobacterium aplysiae Seo et al. 2005 55:2295* Photobacterium damsela subsp. damsela see: Photobacterium damselae subsp. damselae Photobacterium damsela subsp. piscicida see: Photobacterium damselae subsp. piscicida Photobacterium damselae (Love et al. 1982) Smith et al. 1991 (corrig.) 41:533* Photobacterium damselae subsp. damselae (Love et al. 1982) Smith et al. 1991 emend. Kimura et al. 2000 (corrig.) 41:533* Photobacterium damselae subsp. piscicida (ex Janssen and Surgalla 1968) Gauthier et al. 1995 (corrig.) 45:142* Photobacterium fischeri (Beijerinck 1889) Reichelt and Baumann 1973 30:344 (AL) Photobacterium frigidiphilum Seo et al. 2005 55:1665* Photobacterium ganghwense Park et al. 2006 56:748* Photobacterium halotolerans Rivas et al. 2006 56:1070* Photobacterium histaminum => Photobacterium damselae subsp. damselae Photobacterium iliopiscarium (Onarheim et al. 1995) Urakawa et al. 1999 49:260* Photobacterium indicum (Johnson and Weisrock 1969) Ivanova et al. 2004 54:1785* Photobacterium indicum (Johnson and Weisrock 1969) Xie and Yokota 2004 54:2116* Photobacterium leiognathi Boisvert et al. 1967 30:344 (AL) Photobacterium lipolyticum Yoon et al. 2005 55:338* Photobacterium logei -> Vibrio logei Photobacterium phosphoreum (Cohn 1878) Beijerinck 1889 30:344 (AL) Photobacterium profundum Nogi et al. 1998 48:631 Photobacterium rosenbergii Thompson et al. 2005 55:916* PHOTORHABDUS Boemare et al. 1993 43:253* Photorhabdus asymbiotica see: Photorhabdus asymbiotica subsp. asymbiotica Photorhabdus asymbiotica subsp. asymbiotica Fischer-Le Saux et al. 1999 49:1655* Photorhabdus asymbiotica subsp. australis Akhurst et al. 2004 54:1309* Photorhabdus luminescens (Thomas and Poinar 1979) Boemare et al. 1993 emend. Fischer-Le Saux et al. 1999 43:254* Photorhabdus luminescens subsp. akhurstii Fischer-Le Saux et al. 1999 49:1654* Photorhabdus luminescens subsp. kayaii Hazir et al. 2004 54:1005 Photorhabdus luminescens subsp. laumondii Fischer-Le Saux et al. 1999 49:1654* Photorhabdus luminescens subsp. luminescens (Thomas and Poinar 1979) Boemare et al. 1993 43:254* Photorhabdus luminescens subsp. thracensis Hazir et al. 2004 54:1005 Photorhabdus temperata Fischer-Le Saux et al. 1999 49:1655* PHYCICOCCUS Lee 2006 56:2371* Phycicoccus jejuensis Lee 2006 56:2371* PHYLLOBACTERIUM Kn”sel 1984 emend. Jurado et al. 2005 emend. Mantelin et al. 2006 34:356 Phyllobacterium bourgognense Mantelin et al. 2006 56:837* Phyllobacterium brassicacearum Mantelin et al. 2006 56:837* Phyllobacterium catacumbae Jurado et al. 2005 55:1489* Phyllobacterium ifriqiyense Mantelin et al. 2006 56:837* Phyllobacterium leguminum Mantelin et al. 2006 56:837* Phyllobacterium myrsinacearum Kn”sel 1984 emend. Mergaert et al. 2002 34:356 Phyllobacterium rubiacearum => Phyllobacterium myrsinacearum Phyllobacterium trifolii Valverde et al. 2005 55:1988* PIBOCELLA Nedashkovskaya et al. 2005 55:179* Pibocella ponti Nedashkovskaya et al. 2005 55:180* PICROPHILUS Schleper et al. 1996 46:814* Picrophilus oshimae Schleper et al. 1996 46:815* Picrophilus torridus Zillig et al. 1996 46:816* PIGMENTIPHAGA Blmel et al. 2001 51:1870* Pigmentiphaga kullae Blmel et al. 2001 51:1870* PILIBACTER Higashiguchi et al. 2006 56:18* Pilibacter termitis Higashiguchi et al. 2006 56:19* PILIMELIA Kane 1966 30:344 (AL) Pilimelia anulata Kane 1966 30:344 (AL) Pilimelia columellifera Vobis et al. 1986 36:573* Pilimelia columellifera subsp. columellifera (ex Sch„fer 1973) Vobis et al. 1986 36:573* Pilimelia columellifera subsp. pallida Vobis et al. 1986 36:573 Pilimelia terevasa Kane 1966 30:344 (AL) PILLOTINA (ex Hollande and Gharagozlou 1967) Bermudes et al. 1988 38:294* Pillotina calotermitidis (ex Hollande and Gharagozlou 1967) Bermudes et al. 1988 38:294* PIMELOBACTER -> NOCARDIOIDES Pimelobacter jensenii -> Nocardioides jensenii Pimelobacter simplex -> Nocardioides simplex Pimelobacter tumescens -> Terrabacter tumescens PIRELLA -> PIRELLULA Pirella marina -> Blastopirellula marina Pirella staleyi -> Pirellula staleyi PIRELLULA Schlesner and Hirsch 1987 emend. Schlesner et al. 2004 37:441* Pirellula marina -> Blastopirellula marina Pirellula staleyi (Schlesner and Hirsch 1984) Schlesner and Hirsch 1987 37:441* PISCIRICKETTSIA Fryer et al. 1992 42:123* Piscirickettsia salmonis Fryer et al. 1992 42:123* PLANCTOMYCES Gimesi 1924 30:344 (AL) Planctomyces bekefii Gimesi 1924 30:344 (AL) Planctomyces brasiliensis Schlesner 1990 40:105 Planctomyces guttaeformis (ex Hortobagyi 1965) Starr and Schmidt 1984 34:473* Planctomyces limnophilus Hirsch and Mller 1986 36:354 Planctomyces maris (ex Bauld and Staley 1976) Bauld and Staley 1980 30:657* Planctomyces stranskae (ex Warwick 1952) Starr and Schmidt 1984 34:473* PLANIFILUM Hatayama et al. 2005 55:2104* Planifilum fimeticola Hatayama et al. 2005 55:2104* Planifilum fulgidum Hatayama et al. 2005 55:2104* PLANOBISPORA Thiemann and Beretta 1968 30:344 (AL) Planobispora longispora Thiemann and Beretta 1968 30:345 (AL) Planobispora rosea Thiemann 1970 30:345 (AL) PLANOCOCCUS Migula 1894 emend. Nakagawa et al. 1996 30:345 (AL) Planococcus alkanoclasticus -> Planomicrobium alkanoclasticum Planococcus antarcticus Reddy et al. 2002 52:1437 Planococcus citreus Migula 1894 30:345 (AL) Planococcus halophilus -> Marinococcus halophilus Planococcus kocurii Hao and Komagata 1986 36:573 Planococcus maitriensis Alam et al. 2004 54:307 Planococcus maritimus Yoon et al. 2003 53:2016* Planococcus mcmeekinii -> Planomicrobium mcmeekinii Planococcus okeanokoites -> Planomicrobium okeanokoites Planococcus psychrophilus -> Planomicrobium psychrophilum Planococcus rifietoensis Romano et al. 2003 53:1701 Planococcus stackebrandtii Mayilraj et al. 2005 55:94* PLANOMICROBIUM Yoon et al. 2001 51:1518* Planomicrobium alkanoclasticum (Engelhardt et al. 2001) Dai et al. 2005 55:702* Planomicrobium chinense Dai et al. 2005 55:702* Planomicrobium koreense Yoon et al. 2001 51:1518* Planomicrobium mcmeekinii (Junge et al. 1998) Yoon et al. 2001 51:1519* Planomicrobium okeanokoites (ZoBell and Upham 1944) Yoon et al. 2001 51:1518* Planomicrobium psychrophilum (Reddy et al. 2002) Dai et al. 2005 55:702* PLANOMONOSPORA Thiemann et al. 1967 30:345 (AL) Planomonospora alba Mertz 1994 44:280* Planomonospora parontospora Thiemann et al. 1967 30:345 (AL) Planomonospora parontospora subsp. antibiotica Thiemann et al. 1968 30:345 (AL) Planomonospora parontospora subsp. parontospora Thiemann et al. 1967 30:345 (AL) Planomonospora sphaerica Mertz 1994 44:278* Planomonospora venezuelensis Thiemann 1970 30:345 (AL) PLANOPOLYSPORA Petrolini et al. 1993 43:864 Planopolyspora crispa -> Catenuloplanes crispus PLANOTETRASPORA Runmao et al. 1993 emend. Tamura and Sakane 2004 43:468* Planotetraspora mira Runmao et al. 1993 43:468* Planotetraspora silvatica Tamura and Sakane 2004 54:2056* PLANTIBACTER Behrendt et al. 2002 52:1451* Plantibacter auratus Lin and Yokota 2006 56:2338* Plantibacter flavus Behrendt et al. 2002 52:1451* PLEOMORPHOMONAS Xie and Yokota 2005 55:1236* Pleomorphomonas koreensis Im et al. 2006 56:1665* Pleomorphomonas oryzae Xie and Yokota 2005 55:1236* PLESIOCYSTIS Iizuka et al. 2003 53:194* Plesiocystis pacifica Iizuka et al. 2003 53:195* PLESIOMONAS Habs and Schubert 1962 30:345 (AL) Plesiomonas shigelloides (Bader 1954) Habs and Schubert 1962 30:345 (AL) POLARIBACTER Gosink et al. 1998 48:231* Polaribacter butkevichii Nedashkovskaya et al. 2006 56:1459* Polaribacter dokdonensis Yoon et al. 2006 56:1252* Polaribacter filamentus Gosink et al. 1998 48:232* Polaribacter franzmannii Gosink et al. 1998 48:233* Polaribacter glomeratus (McGuire et al. 1988) Gosink et al. 1998 48:233* Polaribacter irgensii Gosink et al. 1998 48:233* POLAROMONAS Irgens et al. 1996 46:825* Polaromonas aquatica K„mpfer et al. 2006 56:607* Polaromonas naphthalenivorans Jeon et al. 2004 54:96* Polaromonas vacuolata Irgens et al. 1996 46:825* POLYANGIUM Link 1809 30:345 (AL) Polyangium aureum (ex Krzemieniewska and Krzemieniewski 1930) Brockman 1989 39:496 Polyangium cellulosum (ex Imshenetski and Solntseva 1936) Brockman 1989 39:496 Polyangium fumosum Krzemieniewska and Krzemieniewski 1930 30:345 (AL) Polyangium luteum (ex Krzemieniewska and Krzemieniewski 1927) Brockman 1989 39:496 Polyangium minor (Peterson 1959) McCurdy 1970 30:346 (AL) Polyangium parasiticum (ex Geitler 1924) Brockman 1989 39:496 Polyangium rugiseptum (Peterson 1959) McCurdy 1970 30:346 (AL) Polyangium sorediatum (ex Thaxter 1904) Brockman 1989 39:496 Polyangium spumosum (ex Krzemieniewska and Krzemieniewski 1927) Brockman 1989 39:496 Polyangium vitellinum Link 1809 30:346 (AL) POLYMORPHOSPORA Tamura et al. 2006 56:1961* Polymorphospora rubra Tamura et al. 2006 56:1963* POLYNUCLEOBACTER Heckmann and Schmidt 1987 37:456* Polynucleobacter necessarius Heckmann and Schmidt 1987 37:456* PONTIBACILLUS Lim et al. 2005 emend. Lim et al. 2005 55:169* Pontibacillus chungwhensis Lim et al. 2005 55:169* Pontibacillus marinus Lim et al. 2005 55:1030* PONTIBACTER Nedashkovskaya et al. 2005 55:2586* Pontibacter actiniarum Nedashkovskaya et al. 2005 55:2587* PORPHYROBACTER Fuerst et al. 1993 43:132* Porphyrobacter cryptus da Costa et al. 2003 53:41* Porphyrobacter dokdonensis Yoon et al. 2006 56:1082* Porphyrobacter donghaensis Yoon et al. 2004 54:2235* Porphyrobacter neustonensis Fuerst et al. 1993 43:132* Porphyrobacter sanguineus (ex Ahrens and Rheinheimer 1968) Hiraishi et al. 2002 52:1915 Porphyrobacter tepidarius Hanada et al. 1997 47:413* PORPHYROMONAS Shah and Collins 1988 emend. Willems and Collins 1995 38:128* Porphyromonas asaccharolytica (Holdeman and Moore 1970) Shah and Collins 1988 38:128* Porphyromonas cangingivalis Collins et al. 1994 44:676* Porphyromonas canoris Love et al. 1994 44:207* Porphyromonas cansulci Collins et al. 1994 44:678* Porphyromonas catoniae (Moore and Moore 1994) Willems and Collins 1995 45:581* Porphyromonas circumdentaria Love et al. 1992 42:435* Porphyromonas crevioricanis Hirasawa and Takada 1994 44:640* Porphyromonas endodontalis (van Steenbergen et al. 1984) Shah and Collins 1988 38:128* Porphyromonas gingivalis (Coykendall et al. 1980) Shah and Collins 1988 38:128* Porphyromonas gingivicanis Hirasawa and Takada 1994 44:639* Porphyromonas gulae Fournier et al. 2001 51:1187* Porphyromonas levii (Johnson and Holdeman 1983) Shah et al. 1995 45:586* Porphyromonas macacae (Slots and Genco 1980) Love 1995 45:91* Porphyromonas salivosa => Porphyromonas macacae Porphyromonas somerae Summanen et al. 2006 56:925 Porphyromonas uenonis Finegold et al. 2005 55:547 PRAGIA Aldova et al. 1988 38:183* Pragia fontium Aldova et al. 1988 38:183* PRAUSERELLA Kim and Goodfellow 1999 49:510* Prauserella alba Li et al. 2003 53:1548* Prauserella halophila Li et al. 2003 53:1548* Prauserella rugosa (Lechevalier et al. 1986) Kim and Goodfellow 1999 49:510* PREVOTELLA Shah and Collins 1990 emend. Willems and Collins 1995 40:205* Prevotella albensis Avgustin et al. 1997 47:286* Prevotella baroniae Downes et al. 2005 55:1555* Prevotella bergensis Downes et al. 2006 56:611* Prevotella bivia (Holdeman and Johnson 1977) Shah and Collins 1990 40:206* Prevotella brevis (Bryant et al. 1958) Avgustin et al. 1997 47:286* Prevotella bryantii Avgustin et al. 1997 47:287* Prevotella buccae (Holdeman et al. 1982) Shah and Collins 1990 40:207* Prevotella buccalis (Shah and Collins 1982) Shah and Collins 1990 40:207* Prevotella corporis (Johnson and Holdeman 1983) Shah and Collins 1990 40:207* Prevotella dentalis (Haapasalo et al. 1986) Willems and Collins 1995 45:834* Prevotella denticola (Shah and Collins 1982) Shah and Collins 1990 emend. Wu et al. 1992 40:207* Prevotella disiens (Holdeman and Johnson 1977) Shah and Collins 1990 40:207* Prevotella enoeca Moore et al. 1994 44:601* Prevotella heparinolytica (Okuda et al. 1985) Shah and Collins 1990 40:207* Prevotella intermedia (Holdeman and Moore 1970) Shah and Collins 1990 40:207* Prevotella loescheii (Holdeman and Johnson 1982) Shah and Collins 1990 emend. Wu et al. 1992 40:207* Prevotella marshii Downes et al. 2005 55:1554* Prevotella melaninogenica (Oliver and Wherry 1921) Shah and Collins 1990 emend. Wu et al. 1992 40:206* Prevotella multiformis Sakamoto et al. 2005 55:818* Prevotella multisaccharivorax Sakamoto et al. 2005 55:1842* Prevotella nigrescens Shah and Gharbia 1992 42:545* Prevotella oralis (Loesche et al. 1964) Shah and Collins 1990 40:207* Prevotella oris (Holdeman et al. 1982) Shah and Collins 1990 40:207* Prevotella oulora see: Prevotella oulorum Prevotella oulorum (Shah et al. 1985) Shah and Collins 1990 (corrig.) 40:207* Prevotella pallens K”n”nen et al. 1998 48:49* Prevotella ruminicola (Bryant et al. 1958) Shah and Collins 1990 emend. Avgustin et al. 1997 40:207* Prevotella ruminicola subsp. brevis -> Prevotella brevis Prevotella ruminicola subsp. ruminicola (Bryant et al. 1958) Shah and Collins 1990 40:207* Prevotella salivae Sakamoto et al. 2004 54:882* Prevotella shahii Sakamoto et al. 2004 54:882* Prevotella tannerae Moore et al. 1994 44:600* Prevotella veroralis (Watabe et al. 1983) Shah and Collins 1990 emend. Wu et al. 1992 40:207* Prevotella zoogleoformans (Weinberg et al. 1937) Shah and Collins 1990 emend. Moore et al. 1994 40:207* PROCHLOROCOCCUS Chisholm et al. 2001 51:263 Prochlorococcus marinus Prochlorococcus marinus subsp. marinus Prochlorococcus marinus subsp. marinus Chisholm et al. 2001 51:263 Prochlorococcus marinus subsp. pastoris Rippka et al. 2001 51:263 PROCHLORON (ex Lewin 1977) Florenzano et al. 1986 36:351* Prochloron didemni (ex Lewin 1975) Florenzano et al. 1986 36:351* PROCHLOROTHRIX Burger-Wiersma et al. 1989 39:250* Prochlorothrix hollandica Burger-Wiersma et al. 1989 39:250* PROLINOBORUS Pot et al. 1992 42:52* Prolinoborus fasciculus (Strength et al. 1976) Pot et al. 1992 42:53* PROMICROMONOSPORA Krassilnikov et al. 1961 30:346 (AL) Promicromonospora aerolata Busse et al. 2003 53:1506* Promicromonospora citrea Krassilnikov et al. 1961 30:346 (AL) Promicromonospora enterophila -> Oerskovia enterophila Promicromonospora pachnodae -> Xylanimicrobium pachnodae Promicromonospora sukumoe Takahashi et al. 1988 38:449 Promicromonospora vindobonensis Busse et al. 2003 53:1505* PROPIONIBACTER => PROPIONIVIBRIO Propionibacter pelophilus -> Propionivibrio pelophilus PROPIONIBACTERIUM Orla-Jensen 1909 30:346 (AL) Propionibacterium acidi-propionici see: Propionibacterium acidipropionici Propionibacterium acidipropionici Orla-Jensen 1909 30:346 (AL) Propionibacterium acnes (Gilchrist 1900) Douglas and Gunter 1946 30:346 (AL) Propionibacterium australiense Bernard et al. 2002 52:1915 Propionibacterium avidum (Eggerth 1935) Moore and Holdeman 1969 30:346 (AL) Propionibacterium cyclohexanicum Kusano et al. 1997 47:830* Propionibacterium freudenreichii van Niel 1928 30:346 (AL) Propionibacterium freudenreichii subsp. freudenreichii (van Niel 1928) Moore and Holdeman 1970 30:346 (AL) Propionibacterium freudenreichii subsp. shermanii (van Niel 1928) Holdeman and Moore 1970 30:347 (AL) Propionibacterium granulosum (Prevot 1938) Moore and Holdeman 1970 30:347 (AL) Propionibacterium innocuum -> Propioniferax innocua Propionibacterium jensenii van Niel 1928 30:347 (AL) Propionibacterium lymphophilum -> Propionimicrobium lymphophilum Propionibacterium microaerophilum Kouss‚mon et al. 2001 51:1380* Propionibacterium propionicum (Buchanan and Pine 1962) Charfreitag et al. 1988 (corrig.) 38:354* Propionibacterium propionicus see: Propionibacterium propionicum Propionibacterium thoenii van Niel 1928 30:347 (AL) PROPIONICICELLA Bae et al. 2006 56:2026* Propionicicella superfundia Bae et al. 2006 56:2026* PROPIONICIMONAS Akasaka et al. 2003 53:1996* Propionicimonas paludicola Akasaka et al. 2003 53:1996* PROPIONIFERAX Yokota et al. 1994 44:581* Propioniferax innocua (Pitcher and Collins 1992) Yokota et al. 1994 44:581* PROPIONIGENIUM Schink and Pfennig 1983 33:896 Propionigenium maris Janssen and Liesack 1996 emend. Watson et al. 2000 46:362 Propionigenium modestum Schink and Pfennig 1983 33:896 PROPIONIMICROBIUM Stackebrandt et al. 2002 52:1926* Propionimicrobium lymphophilum (Torrey 1916) Stackebrandt et al. 2002 52:1926* PROPIONISPIRA Schink et al. 1983 33:673 Propionispira arboris Schink et al. 1983 33:673 PROPIONISPORA Biebl et al. 2001 51:793 Propionispora hippei Abou-Zeid et al. 2004 54:953* Propionispora vibrioides Biebl et al. 2001 51:793 PROPIONIVIBRIO Tanaka et al. 1991 emend. Brune et al. 2002 41:331 Propionivibrio dicarboxylicus Tanaka et al. 1991 41:331 Propionivibrio limicola Brune et al. 2002 52:443* Propionivibrio pelophilus (Meijer et al. 1999) Brune et al. 2002 52:444* PROSTHECOBACTER (ex Staley et al. 1976) Staley et al. 1980 30:595* Prosthecobacter debontii Hedlund et al. 1998 48:327 Prosthecobacter dejongeii Hedlund et al. 1998 48:327 Prosthecobacter fusiformis (ex Staley et al. 1976) Staley et al. 1980 30:595* Prosthecobacter vanneervenii Hedlund et al. 1998 48:327 PROSTHECOCHLORIS Gorlenko 1970 emend. Imhoff 2003 30:347 (AL) Prosthecochloris aestuarii Gorlenko 1970 emend. Imhoff 2003 30:347 (AL) Prosthecochloris vibrioformis (Pelsh 1936) Imhoff 2003 53:949* PROSTHECOMICROBIUM Staley 1968 emend. Staley 1984 30:347 (AL) Prosthecomicrobium enhydrum Staley 1968 30:347 (AL) Prosthecomicrobium hirschii Staley 1984 34:307* Prosthecomicrobium litoralum Bauld et al. 1983 33:616* Prosthecomicrobium pneumaticum Staley 1968 30:347 (AL) PROTEINIPHILUM Chen and Dong 2005 55:2260* Proteiniphilum acetatigenes Chen and Dong 2005 55:2261* PROTEUS Hauser 1885 30:348 (AL) Proteus hauseri O'Hara et al. 2000 50:1874* Proteus inconstans (Ornstein 1920) Shaw and Clarke 1955 30:348 (AL) Proteus mirabilis Hauser 1885 30:348 (AL) Proteus morganii = Morganella morganii subsp. morganii Proteus myxofaciens Cosenza and Podgwaite 1966 30:348 (AL) Proteus penneri Hickman et al. 1983 33:440 Proteus rettgeri = Providencia rettgeri Proteus vulgaris Hauser 1885 30:348 (AL) PROTOMONAS -> METHYLOBACTERIUM Protomonas extorquens -> Methylobacterium extorquens PROVIDENCIA Ewing 1962 30:348 (AL) Providencia alcalifaciens (de Salles Gomes 1944) Ewing 1962 30:348 (AL) Providencia friedericiana => Providencia rustigianii Providencia heimbachae Mller et al. 1986 36:252* Providencia rettgeri (Hadley et al. 1918) Brenner et al. 1978 30:348 (AL) Providencia rustigianii Hickman-Brenner et al. 1983 33:673 Providencia stuartii (Buttiaux et al. 1954) Ewing 1962 30:348 (AL) Providencia vermicola Somvanshi et al. 2006 56:633* PSEUDAMINOBACTER K„mpfer et al. 1999 49:894* Pseudaminobacter defluvii K„mpfer et al. 1999 49:895* Pseudaminobacter salicylatoxidans K„mpfer et al. 1999 49:894* PSEUDIDIOMARINA Jean et al. 2006 56:904* Pseudidiomarina taiwanensis Jean et al. 2006 56:905* PSEUDOALTEROMONAS Gauthier et al. 1995 emend. Ivanova et al. 2002 45:759* Pseudoalteromonas agarivorans Romanenko et al. 2003 53:130* Pseudoalteromonas aliena Ivanova et al. 2004 54:1436* Pseudoalteromonas antarctica Bozal et al. 1997 47:350* Pseudoalteromonas atlantica (Akagawa-Matsushita et al. 1992) Gauthier et al. 1995 45:760* Pseudoalteromonas aurantia (Gauthier and Breittmayer 1979) Gauthier et al. 1995 45:760* Pseudoalteromonas bacteriolytica -> Algicola bacteriolytica Pseudoalteromonas byunsanensis Park et al. 2005 55:2522* Pseudoalteromonas carrageenovora (Akagawa-Matsushita et al. 1992) Gauthier et al. 1995 45:760* Pseudoalteromonas citrea (Gauthier 1977) Gauthier et al. 1995 emend. Ivanova et al. 1998 45:760* Pseudoalteromonas denitrificans (Enger et al. 1987) Gauthier et al. 1995 45:760* Pseudoalteromonas distincta (Romanenko et al. 1995) Ivanova et al. 2000 50:143* Pseudoalteromonas elyakovii (Ivanova et al. 1997) Sawabe et al. 2000 50:270* Pseudoalteromonas espejiana (Chan et al. 1978) Gauthier et al. 1995 45:760* Pseudoalteromonas flavipulchra Ivanova et al. 2002 52:269* Pseudoalteromonas haloplanktis (ZoBell and Upham 1944) Gauthier et al. 1995 emend. Ivanova et al. 2001 45:759* Pseudoalteromonas haloplanktis subsp. haloplanktis see: Pseudoalteromonas haloplanktis Pseudoalteromonas haloplanktis subsp. tetraodonis -> Pseudoalteromonas tetraodonis Pseudoalteromonas issachenkonii Ivanova et al. 2002 52:233* Pseudoalteromonas luteoviolacea (Gauthier 1982) Gauthier et al. 1995 45:760* Pseudoalteromonas maricaloris Ivanova et al. 2002 52:269* Pseudoalteromonas mariniglutinosa (ex Berland et al. 1969) Romanenko et al. 2003 53:1108 Pseudoalteromonas nigrifaciens (Baumann et al. 1984) Gauthier et al. 1995 45:760* Pseudoalteromonas paragorgicola Ivanova et al. 2002 52:1765* Pseudoalteromonas peptidolytica Venkateswaran and Dohmoto 2000 50:572* Pseudoalteromonas phenolica Isnansetyo and Kamei 2003 53:586* Pseudoalteromonas piscicida (ex Bein 1954) Gauthier et al. 1995 45:760* Pseudoalteromonas prydzensis Bowman 1998 48:1040* Pseudoalteromonas rubra (Gauthier 1976) Gauthier et al. 1995 45:760* Pseudoalteromonas ruthenica Ivanova et al. 2002 52:239* Pseudoalteromonas sagamiensis Kobayashi et al. 2003 53:1810* Pseudoalteromonas spongiae Lau et al. 2005 55:1596* Pseudoalteromonas tetraodonis (Simidu et al. 1990) Ivanova et al. 2001 51:1077* Pseudoalteromonas translucida Ivanova et al. 2002 52:1765* Pseudoalteromonas tunicata Holmstr”m et al. 1998 48:1210* Pseudoalteromonas ulvae Egan et al. 2001 51:1503* Pseudoalteromonas undina (Chan et al. 1978) Gauthier et al. 1995 45:760* PSEUDOAMYCOLATA -> PSEUDONOCARDIA Pseudoamycolata halophobica -> Pseudonocardia halophobica PSEUDOBUTYRIVIBRIO van Gylswyk et al. 1996 46:561* Pseudobutyrivibrio ruminis van Gylswyk et al. 1996 46:561* Pseudobutyrivibrio xylanivorans Kopecny et al. 2003 53:208* PSEUDOCAEDIBACTER Quackenbush 1982 32:267 Pseudocaedibacter conjugatus (ex Preer et al. 1974) Quackenbush 1982 32:267 Pseudocaedibacter falsus (ex Preer et al. 1974) Quackenbush 1982 32:267 Pseudocaedibacter minutus (ex Preer et al. 1974) Quackenbush 1982 32:267 PSEUDOCHROBACTRUM K„mpfer et al. 2006 56:1825* Pseudochrobactrum asaccharolyticum K„mpfer et al. 2006 56:1826* Pseudochrobactrum saccharolyticum K„mpfer et al. 2006 56:1827* PSEUDOCLAVIBACTER Manaia et al. 2004 54:787* Pseudoclavibacter helvolus Manaia et al. 2004 54:788* PSEUDOLABRYS K„mpfer et al. 2006 56:2470* Pseudolabrys taiwanensis K„mpfer et al. 2006 56:2470* PSEUDOMONAS Migula 1894 30:349 (AL) Pseudomonas abietaniphila Mohn et al. 1999 49:935 Pseudomonas acidovorans -> Delftia acidovorans Pseudomonas aeruginosa (Schroeter 1872) Migula 1900 30:349 (AL) Pseudomonas agarici Young 1970 30:349 (AL) Pseudomonas alcaligenes Monias 1928 30:349 (AL) Pseudomonas alcaliphila Yumoto et al. 2001 51:354* Pseudomonas aminovorans -> Aminobacter aminovorans Pseudomonas amygdali Psallidas and Panagopoulos 1975 30:349 (AL) Pseudomonas andropogonis -> Burkholderia andropogonis Pseudomonas anguilliseptica Wakabayashi and Egusa 1972 30:349 (AL) Pseudomonas antarctica Reddy et al. 2004 54:717* Pseudomonas antimicrobica => Burkholderia gladioli Pseudomonas argentinensis Peix et al. 2005 55:1111* Pseudomonas asplenii (Ark and Tompkins 1946) Savulescu 1947 30:349 (AL) Pseudomonas aurantiaca Nakhimovskaya 1948 30:349 (AL) Pseudomonas aureofaciens => Pseudomonas chlororaphis Pseudomonas avellanae Janse et al. 1997 47:601 Pseudomonas avenae -> Acidovorax avenae subsp. avenae Pseudomonas avenae subsp. avenae -> Acidovorax avenae subsp. avenae Pseudomonas avenae subsp. citrulli -> Acidovorax avenae subsp. citrulli Pseudomonas avenae subsp. konjaci -> Acidovorax konjaci Pseudomonas azotifigens Hatayama et al. 2005 55:1543* Pseudomonas azotoformans Iizuka and Komagata 1963 30:349 (AL) Pseudomonas balearica Bennasar et al. 1996 46:204* Pseudomonas beijerinckii -> Chromohalobacter beijerinckii Pseudomonas beteli (Ragunathan 1928) Savulescu 1947 (corrig.) 30:350 (AL) Pseudomonas borbori Vanparys et al. 2006 56:1880* Pseudomonas boreopolis Gray and Thornton 1928 30:350 (AL) Pseudomonas brassicacearum Achouak et al. 2000 50:16* Pseudomonas brenneri Ba‹da et al. 2002 52:1437 Pseudomonas cannabina (ex Sutic and Dowson 1959) Gardan et al. 1999 49:477* Pseudomonas carboxydohydrogena (ex Sanjieva and Zavarzin 1971) Meyer et al. 1980 30:194* Pseudomonas caricapapayae Robbs 1956 30:350 (AL) Pseudomonas caryophylli -> Burkholderia caryophylli Pseudomonas cattleyae -> Acidovorax avenae subsp. cattleyae Pseudomonas cedrina Dabboussi et al. 2002 (corrig.) 52:1437 Pseudomonas cepacia -> Burkholderia cepacia Pseudomonas chloritidismutans Wolterink et al. 2002 52:2188* Pseudomonas chlororaphis (Guignard and Sauvageau 1894) Bergey et al. 1930 30:350 (AL) Pseudomonas cichorii (Swingle 1925) Stapp 1928 30:350 (AL) Pseudomonas cissicola (Takimoto 1939) Burkholder 1948 30:350 (AL) Pseudomonas citronellolis Seubert 1960 30:350 (AL) Pseudomonas cocovenenans -> Burkholderia cocovenenans Pseudomonas congelans Behrendt et al. 2003 53:1467* "Pseudomonas coronafaciens" (not validly published) see: Pseudomonas syringae Pseudomonas corrugata Roberts and Scarlett 1981 emend. Sutra et al. 1997 31:216 Pseudomonas costantinii Munsch et al. 2002 52:1981* Pseudomonas cremoricolorata Uchino et al. 2002 52:687 Pseudomonas delafieldii -> Acidovorax delafieldii Pseudomonas diminuta -> Brevundimonas diminuta Pseudomonas doudoroffii -> Oceanimonas doudoroffii Pseudomonas echinoides -> Sphingomonas echinoides Pseudomonas elongata -> Microbulbifer elongatus Pseudomonas extremorientalis Ivanova et al. 2002 52:2118* Pseudomonas facilis -> Acidovorax facilis Pseudomonas ficuserectae => Pseudomonas amygdali Pseudomonas flava -> Hydrogenophaga flava Pseudomonas flavescens Hildebrand et al. 1994 44:413* Pseudomonas flectens Johnson 1956 30:351 (AL) Pseudomonas fluorescens Migula 1895 30:351 (AL) Pseudomonas fragi (Eichholz 1902) Gruber 1905 30:351 (AL) Pseudomonas frederiksbergensis Andersen et al. 2000 50:1962* Pseudomonas fulva Iizuka and Komagata 1963 30:351 (AL) Pseudomonas fuscovaginae (ex Tanii et al. 1976) Miyajima et al. 1983 33:656* Pseudomonas gardneri -> Xanthomonas gardneri Pseudomonas gelidicola Kadota 1951 30:351 (AL) Pseudomonas geniculata (Wright 1895) Chester 1901 30:351 (AL) Pseudomonas gessardii Verhille et al. 1999 49:1566* Pseudomonas gladioli -> Burkholderia gladioli Pseudomonas glathei -> Burkholderia glathei Pseudomonas glumae -> Burkholderia glumae Pseudomonas graminis Behrendt et al. 1999 49:306* Pseudomonas grimontii Ba‹da et al. 2002 52:1502* Pseudomonas halophila Fendrich 1989 39:205 Pseudomonas hibiscicola Moniz 1963 30:351 (AL) Pseudomonas huttiensis -> Herbaspirillum huttiense Pseudomonas indica Pandey et al. 2002 52:1566* Pseudomonas indigofera -> Vogesella indigofera Pseudomonas iners => Marinobacterium georgiense Pseudomonas jessenii Verhille et al. 1999 49:935 Pseudomonas jinjuensis Kwon et al. 2003 53:27* Pseudomonas kilonensis Sikorski et al. 2001 51:1554* Pseudomonas koreensis Kwon et al. 2003 53:26* Pseudomonas lanceolata -> Curvibacter lanceolatus Pseudomonas lemoignei -> Paucimonas lemoignei Pseudomonas libanensis Dabboussi et al. 1999 49:1099* Pseudomonas lini Delorme et al. 2002 52:521* Pseudomonas lundensis Molin et al. 1986 36:339* Pseudomonas lutea Peix et al. 2004 54:849* Pseudomonas luteola Kodama et al. 1985 35:473* Pseudomonas mallei -> Burkholderia mallei Pseudomonas maltophilia -> Stenotrophomonas maltophilia Pseudomonas mandelii Verhille et al. 1999 49:935 Pseudomonas marginalis (Brown 1918) Stevens 1925 30:352 (AL) Pseudomonas marina -> Cobetia marina Pseudomonas mediterranea Catara et al. 2002 52:1756* Pseudomonas meliae => Pseudomonas amygdali Pseudomonas mendocina Palleroni 1970 30:352 (AL) Pseudomonas mephitica Claydon and Hammer 1939 30:352 (AL) Pseudomonas meridiana Reddy et al. 2004 54:718* Pseudomonas mesophilica -> Methylobacterium mesophilicum Pseudomonas migulae Verhille et al. 1999 49:1570* Pseudomonas mixta -> Telluria mixta Pseudomonas monteilii Elomari et al. 1997 47:849* Pseudomonas mosselii Dabboussi et al. 2002 52:374* Pseudomonas mucidolens Levine and Anderson 1932 30:352 (AL) Pseudomonas multiresinivorans Mohn et al. 1999 49:935 Pseudomonas nautica => Marinobacter hydrocarbonoclasticus Pseudomonas nitroreducens Iizuka and Komagata 1964 30:352 (AL) Pseudomonas oleovorans Lee and Chandler 1941 30:353 (AL) Pseudomonas orientalis Dabboussi et al. 2002 52:1438 Pseudomonas oryzihabitans Kodama et al. 1985 35:472* Pseudomonas otitidis Clark et al. 2006 56:714* Pseudomonas pachastrellae Romanenko et al. 2005 55:923* Pseudomonas palleroniana Gardan et al. 2002 52:2074* Pseudomonas palleronii -> Hydrogenophaga palleronii Pseudomonas panacis Park et al. 2005 55:1724* Pseudomonas parafulva Uchino et al. 2002 52:687 Pseudomonas paucimobilis -> Sphingomonas paucimobilis Pseudomonas peli Vanparys et al. 2006 56:1880* Pseudomonas perfectomarina => Pseudomonas stutzeri Pseudomonas pertucinogena Kawai and Yabuuchi 1975 30:353 (AL) Pseudomonas phenazinium -> Burkholderia phenazinium Pseudomonas pickettii -> Ralstonia pickettii Pseudomonas pictorum Gray and Thornton 1928 30:353 (AL) Pseudomonas plantarii -> Burkholderia plantarii Pseudomonas plecoglossicida Nishimori et al. 2000 50:87* Pseudomonas poae Behrendt et al. 2003 53:1467* Pseudomonas pohangensis Weon et al. 2006 56:2155* Pseudomonas proteolytica Reddy et al. 2004 54:718* Pseudomonas pseudoalcaligenes Stanier 1966 30:353 (AL) Pseudomonas pseudoalcaligenes subsp. citrulli -> Acidovorax avenae subsp. citrulli Pseudomonas pseudoalcaligenes subsp. konjaci -> Acidovorax konjaci Pseudomonas pseudoalcaligenes subsp. pseudoalcaligenes Stanier 1966 30:353 (AL) Pseudomonas pseudoflava -> Hydrogenophaga pseudoflava Pseudomonas pseudomallei -> Burkholderia pseudomallei Pseudomonas psychrophila Yumoto et al. 2002 52:687 Pseudomonas psychrotolerans Hauser et al. 2004 54:1636* Pseudomonas putida (Trevisan 1889) Migula 1895 30:353 (AL) Pseudomonas pyrrocinia -> Burkholderia pyrrocinia Pseudomonas radiora -> Methylobacterium radiotolerans Pseudomonas resinovorans Delaporte et al. 1961 30:354 (AL) Pseudomonas rhizosphaerae Peix et al. 2003 53:2070* Pseudomonas rhodesiae Coroler et al. 1997 47:601 Pseudomonas rhodos -> Methylobacterium rhodinum Pseudomonas rubrilineans => Acidovorax avenae subsp. avenae Pseudomonas rubrisubalbicans -> Herbaspirillum rubrisubalbicans Pseudomonas saccharophila -> Pelomonas saccharophila Pseudomonas salomonii Gardan et al. 2002 52:2073* Pseudomonas savastanoi (Janse 1982) Gardan et al. 1992 42:611* Pseudomonas solanacearum -> Ralstonia solanacearum Pseudomonas spinosa -> Malikia spinosa Pseudomonas stanieri -> Marinobacterium stanieri Pseudomonas straminae see: Pseudomonas straminea Pseudomonas straminea Iizuka and Komagata 1963 emend. Uchino et al. 2000 (corrig.) 30:354 (AL) Pseudomonas stutzeri (Lehmann and Neumann 1896) Sijderius 1946 30:354 (AL) Pseudomonas synxantha (Ehrenberg 1840) Holland 1920 30:354 (AL) Pseudomonas syringae van Hall 1902 30:354 (AL) Pseudomonas syringae subsp. savastanoi -> Pseudomonas savastanoi Pseudomonas syringae subsp. syringae van Hall 1902 32:168* Pseudomonas syzygii -> Ralstonia syzygii Pseudomonas taeniospiralis -> Hydrogenophaga taeniospiralis Pseudomonas taetrolens Haynes 1957 30:354 (AL) Pseudomonas testosteroni -> Comamonas testosteroni Pseudomonas thermotolerans Manaia and Moore 2002 52:2208* Pseudomonas thivervalensis Achouak et al. 2000 50:17* Pseudomonas tolaasii Paine 1919 30:355 (AL) Pseudomonas tremae Gardan et al. 1999 49:477* Pseudomonas trivialis Behrendt et al. 2003 53:1467* Pseudomonas umsongensis Kwon et al. 2003 53:26* Pseudomonas vancouverensis Mohn et al. 1999 49:935 Pseudomonas veronii Elomari et al. 1996 46:1142* Pseudomonas vesicularis -> Brevundimonas vesicularis Pseudomonas viridiflava (Burkholder 1930) Dowson 1939 30:355 (AL) Pseudomonas woodsii => Burkholderia andropogonis Pseudomonas xanthomarina Romanenko et al. 2005 55:2236 PSEUDONOCARDIA Henssen 1957 emend. Warwick et al. 1994 emend. Reichert et al. 1998 emend. Huang et al. 2002 30:355 (AL) Pseudonocardia alaniniphila (Xu et al. 1999) Huang et al. 2002 52:981* Pseudonocardia alni (Evtushenko et al. 1989) Warwick et al. 1994 44:298* Pseudonocardia ammonioxydans Liu et al. 2006 56:557* Pseudonocardia antarctica Prabahar et al. 2004 54:1005 Pseudonocardia asaccharolytica Reichert et al. 1998 48:447* Pseudonocardia aurantiaca (Xu et al. 1999) Huang et al. 2002 52:981* Pseudonocardia autotrophica (Takamiya and Tubaki 1956) Warwick et al. 1994 44:298* Pseudonocardia azurea -> Amycolatopsis azurea Pseudonocardia benzenivorans K„mpfer and Kroppenstedt 2004 53:751* Pseudonocardia chloroethenivorans Lee et al. 2004 54:138* Pseudonocardia compacta Henssen et al. 1983 33:834* Pseudonocardia dioxanivorans Mahendra and Alvarez-Cohen 2005 55:597* Pseudonocardia halophobica (Akimov et al. 1989) McVeigh et al. 1994 44:301* Pseudonocardia hydrocarbonoxydans (Nolof and Hirsch 1962) Warwick et al. 1994 44:298* Pseudonocardia kongjuensis Lee et al. 2001 51:1509* Pseudonocardia nitrificans (ex Schatz et al. 1954) Warwick et al. 1994 44:298* Pseudonocardia oroxyli Gu et al. 2006 56:2194* Pseudonocardia petroleophila (Hirsch and Engel 1956) Warwick et al. 1994 44:298* Pseudonocardia saturnea (Hirsch 1960) Warwick et al. 1994 44:298* Pseudonocardia spinosa Sch„fer 1971 30:355 (AL) Pseudonocardia spinosispora Lee et al. 2002 52:1607* Pseudonocardia sulfidoxydans Reichert et al. 1998 48:448* Pseudonocardia tetrahydrofuranoxydans K„mpfer et al. 2006 56:1536* Pseudonocardia thermophila Henssen 1957 30:355 (AL) Pseudonocardia xinjiangensis (Xu et al. 1999) Huang et al. 2002 52:981* Pseudonocardia yunnanensis (Jiang et al. 1991) Huang et al. 2002 52:981* Pseudonocardia zijingensis Huang et al. 2002 52:971* PSEUDORAMIBACTER Willems and Collins 1996 46:1086* Pseudoramibacter alactolyticus (Prevot and Taffanel 1942) Willems and Collins 1996 46:1086* PSEUDORHODOBACTER Uchino et al. 2003 53:936 Pseudorhodobacter ferrugineus (Rger and H”fle 1992) Uchino et al. 2003 53:936 PSEUDOSPIRILLUM Satomi et al. 2002 52:745* Pseudospirillum japonicum (Watanabe 1959) Satomi et al. 2002 52:745* PSEUDOVIBRIO Shieh et al. 2004 54:2311* Pseudovibrio ascidiaceicola Fukunaga et al. 2006 56:347* Pseudovibrio denitrificans Shieh et al. 2004 54:2311 PSEUDOXANTHOMONAS Finkmann et al. 2000 emend. Thierry et al. 2004 50:280* Pseudoxanthomonas broegbernensis Finkmann et al. 2000 emend. Thierry et al. 2004 50:280* Pseudoxanthomonas daejeonensis Yang et al. 2005 55:791* Pseudoxanthomonas japonensis Thierry et al. 2004 54:2254* Pseudoxanthomonas kalamensis Harada et al. 2006 56:1105* Pseudoxanthomonas kaohsiungensis Chang et al. 2005 55:984 Pseudoxanthomonas koreensis Yang et al. 2005 55:791* Pseudoxanthomonas mexicana Thierry et al. 2004 54:2254 Pseudoxanthomonas suwonensis Weon et al. 2006 56:662* Pseudoxanthomonas taiwanensis Chen et al. 2002 52:2160* PSYCHROBACTER Juni and Heym 1986 36:388* Psychrobacter adeliensis Shivaji et al. 2005 55:547 Psychrobacter alimentarius Yoon et al. 2005 55:175* Psychrobacter aquaticus Shivaji et al. 2005 55:762* Psychrobacter aquimaris Yoon et al. 2005 55:1012* Psychrobacter arcticus Bakermans et al. 2006 56:1290* Psychrobacter arenosus Romanenko et al. 2004 54:1745* Psychrobacter celer Yoon et al. 2005 55:1889* Psychrobacter cibarius Jung et al. 2005 55:581* Psychrobacter cryohalolentis Bakermans et al. 2006 56:1289* Psychrobacter faecalis K„mpfer et al. 2002 52:1438 Psychrobacter fozii Bozal et al. 2003 53:1099* Psychrobacter frigidicola Bowman et al. 1996 46:847* Psychrobacter glacincola Bowman et al. 1997 47:1274 Psychrobacter immobilis Juni and Heym 1986 36:388* Psychrobacter jeotgali Yoon et al. 2003 53:453* Psychrobacter luti Bozal et al. 2003 53:1098* Psychrobacter marincola Romanenko et al. 2002 52:1296* Psychrobacter maritimus Romanenko et al. 2004 54:1744* Psychrobacter namhaensis Yoon et al. 2005 55:1012* Psychrobacter nivimaris Heuchert et al. 2004 54:1909 Psychrobacter okhotskensis Yumoto et al. 2003 53:1988* Psychrobacter pacificensis Maruyama et al. 2000 50:845* Psychrobacter phenylpyruvicus (Bovre and Henriksen 1967) Bowman et al. 1996 46:847* Psychrobacter proteolyticus Denner et al. 2001 51:1619 Psychrobacter pulmonis Vela et al. 2003 53:418* Psychrobacter salsus Shivaji et al. 2005 55:547 Psychrobacter submarinus Romanenko et al. 2002 52:1296* Psychrobacter urativorans Bowman et al. 1996 46:847* Psychrobacter vallis Shivaji et al. 2005 55:759* PSYCHROFLEXUS Bowman et al. 1999 49:2 Psychroflexus gondwanensis (Dobson et al. 1993) Bowman et al. 1999 49:2 Psychroflexus torquis Bowman et al. 1999 49:2 Psychroflexus tropicus Donachie et al. 2004 54:938* PSYCHROMONAS Mountfort et al. 1998 emend. Nogi et al. 2002 48:631 Psychromonas antarctica Mountfort et al. 1998 48:631 Psychromonas arctica Groudieva et al. 2003 53:544* Psychromonas ingrahamii Auman et al. 2006 56:1006* Psychromonas kaikoae Nogi et al. 2002 52:1531* Psychromonas marina Kawasaki et al. 2002 52:1458* Psychromonas profunda Xu et al. 2003 53:531* PSYCHROSERPENS Bowman et al. 1997 47:674* Psychroserpens burtonensis Bowman et al. 1997 47:675* Psychroserpens mesophilus Kwon et al. 2006 56:1057* PUSILLIMONAS Stolz et al. 2005 55:1080* Pusillimonas noertemannii Stolz et al. 2005 55:1081* PYROBACULUM Huber et al. 1988 38:221 Pyrobaculum aerophilum V”lkl et al. 1996 46:836 Pyrobaculum arsenaticum Huber et al. 2001 51:263 Pyrobaculum islandicum Huber et al. 1988 38:221 Pyrobaculum oguniense Sako et al. 2001 51:308* Pyrobaculum organotrophum Huber et al. 1988 38:221 PYROCOCCUS Fiala and Stetter 1986 36:573 Pyrococcus furiosus Fiala and Stetter 1986 36:573 Pyrococcus glycovorans Barbier et al. 1999 49:1835* Pyrococcus horikoshii Gonz lez et al. 1999 49:1325 Pyrococcus woesei Zillig 1988 38:136 PYRODICTIUM Stetter et al. 1984 34:270 Pyrodictium abyssi Pley and Stetter 1991 41:580 Pyrodictium brockii Stetter et al. 1984 34:270 Pyrodictium occultum Stetter et al. 1984 34:270 PYROLOBUS Bl”chl et al. 1999 49:1325 Pyrolobus fumarii Bl”chl et al. 1999 49:1325 QUADRICOCCUS Maszenan et al. 2002 52:227* Quadricoccus australiensis Maszenan et al. 2002 52:227* QUADRISPHAERA Maszenan et al. 2005 55:1774* Quadrisphaera granulorum Maszenan et al. 2005 55:1776* QUINELLA Krumholz et al. 1993 43:295* Quinella ovalis Krumholz et al. 1993 43:295* RAHNELLA Izard et al. 1981 31:382 Rahnella aquatilis Izard et al. 1981 31:382 RALSTONIA Yabuuchi et al. 1996 46:625 Ralstonia basilensis -> Cupriavidus basilensis Ralstonia campinensis -> Cupriavidus campinensis Ralstonia eutropha -> Wautersia eutropha Ralstonia gilardii -> Cupriavidus gilardii Ralstonia insidiosa Coenye et al. 2003 emend. Vaneechoutte et al. 2004 53:1079 Ralstonia mannitolilytica De Baere et al. 2001 (corrig.) 51:556* Ralstonia mannitolytica see: Ralstonia mannitolilytica Ralstonia metallidurans -> Cupriavidus metallidurans Ralstonia oxalatica -> Cupriavidus oxalaticus Ralstonia paucula -> Cupriavidus pauculus Ralstonia pickettii (Ralston et al. 1973) Yabuuchi et al. 1996 46:625 Ralstonia respiraculi -> Cupriavidus respiraculi Ralstonia solanacearum (Smith 1896) Yabuuchi et al. 1996 46:625 Ralstonia syzygii (Roberts et al. 1990) Vaneechoutte et al. 2004 54:322* Ralstonia taiwanensis -> Cupriavidus taiwanensis RAMLIBACTER Heulin et al. 2003 53:593* Ramlibacter henchirensis Heulin et al. 2003 53:594* Ramlibacter tataouinensis Heulin et al. 2003 53:593* RAOULTELLA Drancourt et al. 2001 51:930* Raoultella ornithinolytica (Sakazaki et al. 1989) Drancourt et al. 2001 51:931* Raoultella planticola (Bagley et al. 1982) Drancourt et al. 2001 51:931* Raoultella terrigena (Izard et al. 1981) Drancourt et al. 2001 51:931* RAROBACTER Yamamoto et al. 1988 38:7* Rarobacter faecitabidus Yamamoto et al. 1988 38:7* Rarobacter incanus Yamamoto et al. 1994 44:370 RATHAYIBACTER Zgurskaya et al. 1993 43:147* Rathayibacter caricis Dorofeeva et al. 2002 52:1921* Rathayibacter festucae Dorofeeva et al. 2002 52:1921* Rathayibacter iranicus (Carlson and Vidaver 1982) Zgurskaya et al. 1993 43:146* Rathayibacter rathayi (Smith 1913) Zgurskaya et al. 1993 43:146* Rathayibacter toxicus (Riley and Ophel 1992) Sasaki et al. 1998 48:409* Rathayibacter tritici (Carlson and Vidaver 1982) Zgurskaya et al. 1993 43:146* REICHENBACHIA see: REICHENBACHIELLA Reichenbachia agariperforans -> Reichenbachiella agariperforans REICHENBACHIELLA Nedashkovskaya et al. 2005 55:2587* Reichenbachiella agariperforans (Nedashkovskaya et al. 2003) Nedashkovskaya et al. 2005 55:2587* REINEKEA Romanenko et al. 2004 54:672* Reinekea marinisedimentorum Romanenko et al. 2004 54:672* RENIBACTERIUM Sanders and Fryer 1980 30:501* Renibacterium salmoninarum Sanders and Fryer 1980 30:501* RHABDOCHROMATIUM (ex Winogradsky 1888) Dilling et al. 1996 46:362 Rhabdochromatium marinum Dilling et al. 1996 46:362 RHEINHEIMERA Brettar et al. 2002 52:1856* Rheinheimera baltica Brettar et al. 2002 52:1856* Rheinheimera pacifica Romanenko et al. 2003 53:1976* Rheinheimera perlucida Brettar et al. 2006 56:2182* RHIZOBACTER Goto and Kuwata 1988 38:238* Rhizobacter dauci Goto and Kuwata 1988 (corrig.) 38:238* RHIZOBIUM Frank 1889 emend. Young et al. 2001 30:355 (AL) Rhizobium ciceri -> Mesorhizobium ciceri Rhizobium daejeonense Quan et al. 2005 55:2548* Rhizobium etli Segovia et al. 1993 43:376* Rhizobium fredii -> Ensifer fredii Rhizobium galegae Lindstr”m 1989 39:365* Rhizobium gallicum Amarger et al. 1997 47:1005* Rhizobium giardinii Amarger et al. 1997 47:1005* Rhizobium hainanense Chen et al. 1997 47:872* Rhizobium huakuii -> Mesorhizobium huakuii Rhizobium huautlense Wang et al. 1998 48:696* Rhizobium indigoferae Wei et al. 2002 52:2237* Rhizobium japonicum -> Bradyrhizobium japonicum Rhizobium larrymoorei (Bouzar and Jones 2001) Young 2004 54:149* Rhizobium leguminosarum (Frank 1879) Frank 1889 30:355 (AL) Rhizobium loessense Wei et al. 2003 53:1582* Rhizobium loti -> Mesorhizobium loti Rhizobium lupini (Schroeter 1886) Eckhardt et al. 1931 30:355 (AL) Rhizobium mediterraneum -> Mesorhizobium mediterraneum Rhizobium meliloti -> Ensifer meliloti Rhizobium mongolense van Berkum et al. 1998 48:21* Rhizobium phaseoli Dangeard 1926 30:355 (AL) Rhizobium radiobacter (Beijerinck and van Delden 1902) Young et al. 2001 51:99* Rhizobium rhizogenes (Riker et al. 1930) Young et al. 2001 51:99* Rhizobium rubi (Hildebrand 1940) Young et al. 2001 51:99* Rhizobium sullae Squartini et al. 2002 52:1274* Rhizobium tianshanense -> Mesorhizobium tianshanense Rhizobium trifolii Dangeard 1926 30:355 (AL) Rhizobium tropici Mart¡nez-Romero et al. 1991 41:424* Rhizobium undicola (de Lajudie et al. 1998) Young et al. 2001 51:99* Rhizobium vitis (Ophel and Kerr 1990) Young et al. 2001 51:99* Rhizobium yanglingense Tan et al. 2001 51:913* RHIZOMONAS -> SPHINGOMONAS Rhizomonas suberifaciens -> Sphingomonas suberifaciens RHODANOBACTER Nalin et al. 1999 49:22* Rhodanobacter fulvus Im et al. 2005 55:547 Rhodanobacter lindaniclasticus Nalin et al. 1999 49:22* Rhodanobacter spathiphylli De Clercq et al. 2006 56:1758* RHODOBACA Milford et al. 2001 51:793 Rhodobaca bogoriensis Milford et al. 2001 51:793 RHODOBACTER Imhoff et al. 1984 34:342* Rhodobacter adriaticus -> Rhodovulum adriaticum Rhodobacter azotoformans Hiraishi et al. 1997 47:601 Rhodobacter blasticus (Eckersley and Dow 1981) Kawasaki et al. 1994 (corrig.) 44:852 Rhodobacter capsulatus (Molisch 1907) Imhoff et al. 1984 34:342* Rhodobacter euryhalinus -> Rhodovulum euryhalinum Rhodobacter massiliensis Greub and Raoult 2006 56:2026* Rhodobacter sphaeroides (van Niel 1944) Imhoff et al. 1984 34:342* Rhodobacter sulfidophilus -> Rhodovulum sulfidophilum Rhodobacter veldkampii Hansen and Imhoff 1985 35:115* RHODOBIUM Hiraishi et al. 1995 45:230* Rhodobium marinum (Imhoff 1984) Hiraishi et al. 1995 45:232* Rhodobium orientis Hiraishi et al. 1995 45:232* RHODOBLASTUS Imhoff 2001 51:1865* Rhodoblastus acidophilus (Pfennig 1969) Imhoff 2001 51:1865* Rhodoblastus sphagnicola Kulichevskaya et al. 2006 56:1401* RHODOCISTA Kawasaki et al. 1994 44:182 Rhodocista centenaria Rhodospirillum centenum Rhodocista pekingensis Zhang et al. 2003 53:1114* RHODOCOCCUS Zopf 1891 30:356 (AL) Rhodococcus aetherivorans Goodfellow et al. 2004 54:1005 Rhodococcus aichiensis -> Gordonia aichiensis Rhodococcus aurantiacus => Tsukamurella paurometabola Rhodococcus baikonurensis Li et al. 2004 54:834* Rhodococcus bronchialis -> Gordonia bronchialis Rhodococcus chlorophenolicus -> Mycobacterium chlorophenolicum Rhodococcus chubuensis => Gordonia sputi Rhodococcus coprophilus Rowbotham and Cross 1979 30:356 (AL) Rhodococcus corallinus => Gordonia rubripertincta Rhodococcus corynebacterioides (Serrano et al. 1972) Yassin and Schaal 2005 55:1348* Rhodococcus equi (Magnusson 1923) Goodfellow and Alderson 1977 30:356 (AL) Rhodococcus erythropolis (Gray and Thornton 1928) Goodfellow and Alderson 1979 30:356 (AL) Rhodococcus fascians (Tilford 1936) Goodfellow 1984 34:503 Rhodococcus globerulus Goodfellow et al. 1985 35:223 Rhodococcus gordoniae Jones et al. 2004 54:410* Rhodococcus imtechensis Ghosh et al. 2006 56:1968* Rhodococcus jostii Takeuchi et al. 2002 52:413* Rhodococcus koreensis Yoon et al. 2000 50:1199* Rhodococcus kroppenstedtii Mayilraj et al. 2006 56:981* Rhodococcus luteus => Rhodococcus fascians Rhodococcus maanshanensis Zhang et al. 2002 52:2124* Rhodococcus marinonascens Helmke and Weyland 1984 34:137* Rhodococcus maris -> Dietzia maris Rhodococcus obuensis => Gordonia sputi Rhodococcus opacus Klatte et al. 1995 45:197 Rhodococcus percolatus Briglia et al. 1996 46:29* Rhodococcus phenolicus Rehfuss and Urban 2006 56:499 Rhodococcus pyridinivorans Yoon et al. 2000 50:2178* Rhodococcus rhodnii Goodfellow and Alderson 1979 30:356 (AL) Rhodococcus rhodochrous (Zopf 1891) Tsukamura 1974 emend. Rainey et al. 1995 30:356 (AL) Rhodococcus roseus => Rhodococcus rhodochrous Rhodococcus ruber (Kruse 1896) Goodfellow and Alderson 1977 30:356 (AL) Rhodococcus rubropertinctus -> Gordonia rubripertincta Rhodococcus sputi -> Gordonia sputi Rhodococcus terrae -> Gordonia terrae Rhodococcus triatomae Yassin 2005 55:1578* Rhodococcus tukisamuensis Matsuyama et al. 2003 53:1335* Rhodococcus wratislaviensis (Goodfellow et al. 1995) Goodfellow et al. 2002 52:752* Rhodococcus yunnanensis Zhang et al. 2005 55:1136* Rhodococcus zopfii Stoecker et al. 1994 44:109* RHODOCYCLUS Pfennig 1978 30:357 (AL) Rhodocyclus gelatinosus -> Rubrivivax gelatinosus Rhodocyclus purpureus Pfennig 1978 30:357 (AL) Rhodocyclus tenuis (Pfennig 1969) Imhoff et al. 1984 34:341* RHODOFERAX Hiraishi et al. 1992 42:191 Rhodoferax antarcticus Madigan et al. 2001 51:793 Rhodoferax fermentans Hiraishi et al. 1992 42:191 Rhodoferax ferrireducens Finneran et al. 2003 53:673* RHODOGLOBUS Sheridan et al. 2003 53:992* Rhodoglobus vestalii Sheridan et al. 2003 53:992* RHODOMICROBIUM Duchow and Douglas 1949 30:357 (AL) Rhodomicrobium vannielii Duchow and Douglas 1949 30:357 (AL) RHODOPILA Imhoff et al. 1984 34:341* Rhodopila globiformis (Pfennig 1974) Imhoff et al. 1984 34:341* RHODOPIRELLULA Schlesner et al. 2004 54:1577* Rhodopirellula baltica Schlesner et al. 2004 54:1578* RHODOPLANES Hiraishi and Ueda 1994 44:671* Rhodoplanes elegans Hiraishi and Ueda 1994 44:672* Rhodoplanes roseus (Janssen and Harfoot 1991) Hiraishi and Ueda 1994 44:671* RHODOPSEUDOMONAS Czurda and Maresch 1937 30:357 (AL) Rhodopseudomonas acidophila -> Rhodoblastus acidophilus Rhodopseudomonas adriatica -> Rhodovulum adriaticum Rhodopseudomonas blastica -> Rhodobacter blasticus Rhodopseudomonas capsulata -> Rhodobacter capsulatus Rhodopseudomonas faecalis Zhang et al. 2002 52:2059* Rhodopseudomonas gelatinosa -> Rubrivivax gelatinosus Rhodopseudomonas globiformis -> Rhodopila globiformis Rhodopseudomonas julia Kompantseva 1993 43:188 Rhodopseudomonas marina -> Rhodobium marinum Rhodopseudomonas palustris (Molisch 1907) van Niel 1944 30:357 (AL) Rhodopseudomonas rhenobacensis Hougardy et al. 2000 50:991* Rhodopseudomonas rosea -> Rhodoplanes roseus Rhodopseudomonas rutila => Rhodopseudomonas palustris Rhodopseudomonas sphaeroides -> Rhodobacter sphaeroides Rhodopseudomonas sulfidophila -> Rhodovulum sulfidophilum Rhodopseudomonas sulfoviridis -> Blastochloris sulfoviridis Rhodopseudomonas viridis -> Blastochloris viridis RHODOSPIRA Pfennig et al. 1998 48:328 Rhodospira trueperi Pfennig et al. 1998 48:328 RHODOSPIRILLUM Molisch 1907 emend. Imhoff et al. 1998 30:357 (AL) Rhodospirillum centenum Rhodocista centenaria Rhodospirillum fulvum -> Phaeospirillum fulvum Rhodospirillum molischianum -> Phaeospirillum molischianum Rhodospirillum photometricum Molisch 1907 30:358 (AL) Rhodospirillum rubrum (Esmarch 1887) Molisch 1907 30:358 (AL) Rhodospirillum salexigens -> Rhodothalassium salexigens Rhodospirillum salinarum -> Rhodovibrio salinarum Rhodospirillum sodomense -> Rhodovibrio sodomensis Rhodospirillum tenue -> Rhodocyclus tenuis RHODOTHALASSIUM Imhoff et al. 1998 48:797* Rhodothalassium salexigens (Drews 1982) Imhoff et al. 1998 48:797* RHODOTHERMUS Alfredsson et al. 1995 45:418 Rhodothermus marinus Alfredsson et al. 1995 45:418 Rhodothermus obamensis => Rhodothermus marinus RHODOVARIUS K„mpfer et al. 2004 54:1909 Rhodovarius lipocyclicus K„mpfer et al. 2004 54:1909 RHODOVIBRIO Imhoff et al. 1998 48:797* Rhodovibrio salinarum (Nissen and Dundas 1985) Imhoff et al. 1998 48:797* Rhodovibrio sodomensis (Mack et al. 1996) Imhoff et al. 1998 48:797* RHODOVULUM Hiraishi and Ueda 1994 44:21* Rhodovulum adriaticum (Neutzling et al. 1984) Hiraishi and Ueda 1994 44:22* Rhodovulum euryhalinum (Kompantseva 1989) Hiraishi and Ueda 1994 44:22* Rhodovulum iodosum Straub et al. 1999 49:734* Rhodovulum marinum Srinivas et al. 2006 56:1655* Rhodovulum robiginosum Straub et al. 1999 49:734* Rhodovulum strictum Hiraishi and Ueda 1995 45:325* Rhodovulum sulfidophilum (Hansen and Veldkamp 1973) Hiraishi and Ueda 1994 44:21* RICKETTSIA da Rocha-Lima 1916 30:358 (AL) Rickettsia aeschlimannii Beati et al. 1997 47:553* Rickettsia africae Kelly et al. 1996 46:612* Rickettsia akari Huebner et al. 1946 30:358 (AL) Rickettsia asiatica Fujita et al. 2006 56:2365* Rickettsia australis Philip 1950 30:358 (AL) Rickettsia bellii Philip et al. 1983 33:105* Rickettsia canadensis McKiel et al. 1967 (corrig.) 30:358 (AL) Rickettsia conorii Brumpt 1932 30:358 (AL) Rickettsia felis Bouyer et al. 2001 emend. La Scola et al. 2002 51:346* Rickettsia heilongjiangensis Fournier et al. 2006 56:499 Rickettsia helvetica Beati et al. 1993 43:524* Rickettsia honei Stenos et al. 1998 48:1403* Rickettsia japonica Uchida et al. 1992 42:303* Rickettsia massiliae Beati and Raoult 1993 43:839* Rickettsia montanensis (ex Lackman et al. 1965) Weiss and Moulder 1984 (corrig.) Rickettsia parkeri Lackman et al. 1965 30:358 (AL) Rickettsia peacockii Niebylski et al. 1997 47:451* Rickettsia prowazekii da Rocha-Lima 1916 30:358 (AL) Rickettsia rhipicephali (ex Burgdorfer et al. 1978) Weiss and Moulder 1988 38:221 Rickettsia rickettsii (Wolbach 1919) Brumpt 1922 30:358 (AL) Rickettsia sennetsu -> Neorickettsia sennetsu Rickettsia sibirica Zdrodovskii 1948 30:358 (AL) Rickettsia slovaca Sekeyov  et al. 1998 48:1458* Rickettsia tamurae Fournier et al. 2006 56:1674* Rickettsia tsutsugamushi -> Orientia tsutsugamushi Rickettsia typhi (Wolbach and Todd 1920) Philip 1943 30:358 (AL) RICKETTSIELLA Philip 1956 30:359 (AL) Rickettsiella chironomi (ex Weiser 1963) Weiss et al. 1984 34:356 Rickettsiella grylli (ex Vago and Martoja 1963) Weiss et al. 1984 34:356 Rickettsiella popilliae (Dutky and Gooden 1952) Philip 1956 30:359 (AL) Rickettsiella stethorae Hall and Badgley 1957 30:359 (AL) RIEMERELLA Segers et al. 1993 emend. Vancanneyt et al. 1999 43:774* Riemerella anatipestifer (Henrickson and Hilbert 1932) Segers et al. 1993 43:775* Riemerella columbina Vancanneyt et al. 1999 49:294* RIKENELLA Collins et al. 1985 35:375 Rikenella microfusus (Kaneuchi and Mitsuoka 1978) Collins et al. 1985 35:375 ROBIGINITALEA Cho and Giovannoni 2004 54:1104* Robiginitalea biformata Cho and Giovannoni 2004 54:1105* ROCHALIMAEA => BARTONELLA Rochalimaea elizabethae -> Bartonella elizabethae Rochalimaea henselae -> Bartonella henselae Rochalimaea quintana -> Bartonella quintana Rochalimaea vinsonii -> Bartonella vinsonii ROSEATELES Suyama et al. 1999 49:455* Roseateles depolymerans Suyama et al. 1999 49:455* ROSEBURIA Stanton and Savage 1983 33:626* Roseburia cecicola Stanton and Savage 1983 33:626* Roseburia faecis Duncan et al. 2006 56:2440* Roseburia hominis Duncan et al. 2006 56:2440* Roseburia intestinalis Duncan et al. 2002 emend. Duncan et al. 2006 52:1619* Roseburia inulinivorans Duncan et al. 2006 56:2440* ROSEIBACTERIUM Suzuki et al. 2006 56:420* Roseibacterium elongatum Suzuki et al. 2006 56:420* ROSEIBIUM Suzuki et al. 2000 50:2155* Roseibium denhamense Suzuki et al. 2000 50:2155* Roseibium hamelinense Suzuki et al. 2000 50:2155* ROSEICYCLUS Rathgeber et al. 2005 55:1602* Roseicyclus mahoneyensis Rathgeber et al. 2005 55:1602* ROSEIFLEXUS Hanada et al. 2002 52:192* Roseiflexus castenholzii Hanada et al. 2002 52:192* ROSEINATRONOBACTER Sorokin et al. 2000 50:1415 Roseinatronobacter thiooxidans Sorokin et al. 2000 50:1415 ROSEISALINUS Labrenz et al. 2005 55:46* Roseisalinus antarcticus Labrenz et al. 2005 55:46* ROSEIVIRGA Nedashkovskaya et al. 2005 emend. Nedashkovskaya et al. 2005 55:233* Roseivirga echinicomitans Nedashkovskaya et al. 2005 55:1800* Roseivirga ehrenbergii Nedashkovskaya et al. 2005 55:233* Roseivirga seohaensis (Yoon et al. 2005) Lau et al. 2006 56:1064* Roseivirga spongicola Lau et al. 2006 56:1063* ROSEIVIVAX Suzuki et al. 1999 49:632* Roseivivax halodurans Suzuki et al. 1999 49:632* Roseivivax halotolerans Suzuki et al. 1999 49:633* ROSEOBACTER Shiba 1991 emend. Martens et al. 2006 41:331 Roseobacter algicola -> Marinovum algicola Roseobacter denitrificans Shiba 1991 41:331 Roseobacter gallaeciensis -> Phaeobacter gallaeciensis Roseobacter litoralis Shiba 1991 41:331 ROSEOCOCCUS Yurkov et al. 1994 44:430* Roseococcus thiosulfatophilus Yurkov et al. 1994 44:432* ROSEOMONAS Rihs et al. 1998 48:627 Roseomonas aquatica Gallego et al. 2006 56:2293* Roseomonas cervicalis Rihs et al. 1998 48:627 Roseomonas fauriae Rihs et al. 1998 48:627 Roseomonas gilardii Rihs et al. 1998 48:627 Roseomonas gilardii subsp. gilardii Rihs et al. 1998 48:627 Roseomonas gilardii subsp. rosea Han et al. 2003 53:1701 Roseomonas lacus Jiang et al. 2006 56:27* Roseomonas mucosa Han et al. 2003 53:1701 ROSEOSPIRA Imhoff et al. 1998 48:797* Roseospira marina Guyoneaud et al. 2003 53:1701 Roseospira mediosalina Imhoff et al. 1998 48:798* Roseospira navarrensis Guyoneaud et al. 2003 53:1701 ROSEOSPIRILLUM Glaeser and Overmann 2001 51:793 Roseospirillum parvum Glaeser and Overmann 2001 51:793 ROSEOVARIUS Labrenz et al. 1999 49:145* Roseovarius crassostreae Boettcher et al. 2005 55:1536* Roseovarius mucosus Biebl et al. 2005 55:2382* Roseovarius nubinhibens Gonz lez et al. 2003 53:1268* Roseovarius tolerans Labrenz et al. 1999 49:145* ROTHIA Georg and Brown 1967 30:359 (AL) Rothia aeria Li et al. 2004 54:833* Rothia amarae Fan et al. 2002 52:2259* Rothia dentocariosa (Onishi 1949) Georg and Brown 1967 emend. Daneshvar et al. 2004 30:359 (AL) Rothia mucilaginosa (Bergan and Kocur 1982) Collins et al. 2000 50:1250* Rothia nasimurium Collins et al. 2000 50:1250* RUBELLIMICROBIUM Denner et al. 2006 56:1360* Rubellimicrobium thermophilum Denner et al. 2006 56:1360* RUBRIMONAS Suzuki et al. 1999 49:204* Rubrimonas cliftonensis Suzuki et al. 1999 49:204* RUBRITALEA Scheuermayer et al. 2006 56:2123* Rubritalea marina Scheuermayer et al. 2006 56:2123* RUBRITEPIDA Alarico et al. 2002 52:1915 Rubritepida flocculans Alarico et al. 2002 52:1915 RUBRIVIVAX Willems et al. 1991 41:71* Rubrivivax benzoatilyticus Ramana et al. 2006 56:2162* Rubrivivax gelatinosus (Molisch 1907) Willems et al. 1991 41:72* RUBROBACTER Suzuki et al. 1989 39:93 Rubrobacter radiotolerans (Yoshinaka et al. 1973) Suzuki et al. 1989 39:93 Rubrobacter taiwanensis Chen et al. 2004 54:1853* Rubrobacter xylanophilus Carreto et al. 1996 46:463* RUEGERIA Uchino et al. 1999 emend. Martens et al. 2006 49:2 Ruegeria algicola -> Marinovum algicola Ruegeria atlantica (Rger and H”fle 1992) Uchino et al. 1999 49:2 Ruegeria gelatinovora see: Ruegeria gelatinovorans Ruegeria gelatinovorans (corrig.) -> Thalassobius gelatinovorus RUGAMONAS Austin and Moss 1987 37:179 Rugamonas rubra Austin and Moss 1987 37:179 RUMINOBACTER (ex Sijpesteijn 1949) Stackebrandt and Hippe 1987 37:179 Ruminobacter amylophilus (Hamlin and Hungate 1956) Stackebrandt and Hippe 1987 37:179 RUMINOCOCCUS Sijpesteijn 1948 30:359 (AL) Ruminococcus albus Hungate 1957 30:359 (AL) Ruminococcus bromii Moore et al. 1972 30:359 (AL) Ruminococcus callidus Holdeman and Moore 1974 30:359 (AL) Ruminococcus flavefaciens Sijpesteijn 1948 30:359 (AL) Ruminococcus gnavus Moore et al. 1976 30:359 (AL) Ruminococcus hansenii (Holdeman and Moore 1974) Ezaki et al. 1994 44:130* Ruminococcus hydrogenotrophicus Bernalier et al. 1997 47:601 Ruminococcus lactaris Moore et al. 1976 30:359 (AL) Ruminococcus luti Simmering et al. 2002 52:1915 Ruminococcus obeum Moore et al. 1976 30:360 (AL) Ruminococcus palustris -> Trichococcus palustris Ruminococcus pasteurii -> Trichococcus pasteurii Ruminococcus productus (Pr‚vot 1941) Ezaki et al. 1994 44:135* Ruminococcus schinkii Rieu-Lesme et al. 1997 47:242 Ruminococcus torques Holdeman and Moore 1974 30:360 (AL) RUNELLA Larkin and Williams 1978 30:360 (AL) Runella slithyformis Larkin and Williams 1978 30:360 (AL) Runella zeae Chelius et al. 2002 52:2062* SACCHARIBACTER Jojima et al. 2004 54:2267* Saccharibacter floricola Jojima et al. 2004 54:2267 SACCHAROBACTER Yaping et al. 1990 40:412* Saccharobacter fermentatus Yaping et al. 1990 40:412* SACCHAROCOCCUS Nystrand 1984 34:503 Saccharococcus caldoxylosilyticus -> Geobacillus caldoxylosilyticus Saccharococcus thermophilus Nystrand 1984 34:503 SACCHAROMONOSPORA Nonomura and Ohara 1971 30:360 (AL) Saccharomonospora azurea Runmao 1987 37:60* Saccharomonospora cyanea Runmao et al. 1988 38:444* Saccharomonospora glauca Greiner-Mai et al. 1988 38:398* Saccharomonospora halophila Al-Zarban et al. 2002 52:557* Saccharomonospora paurometabolica Li et al. 2003 53:1593* Saccharomonospora viridis (Schuurmans et al. 1956) Nonomura and Ohara 1971 30:360 (AL) Saccharomonospora xinjiangensis Jin et al. 1998 48:1097* SACCHAROPHAGUS Ekborg et al. 2005 55:1548* Saccharophagus degradans Ekborg et al. 2005 55:1548* SACCHAROPOLYSPORA Lacey and Goodfellow 1975 30:360 (AL) Saccharopolyspora erythraea (Waksman 1923) Labeda 1987 37:19* Saccharopolyspora flava Lu et al. 2001 51:322* Saccharopolyspora gregorii Goodfellow et al. 1989 39:496 Saccharopolyspora hirsuta Lacey and Goodfellow 1975 30:360 (AL) Saccharopolyspora hirsuta subsp. hirsuta Lacey and Goodfellow 1975 30:360 (AL) Saccharopolyspora hirsuta subsp. kobensis Lacey 1989 39:496 Saccharopolyspora hirsuta subsp. taberi -> Saccharopolyspora taberi Saccharopolyspora hordei Goodfellow et al. 1989 39:496 Saccharopolyspora rectivirgula (Krassilnikov and Agre 1964) Korn-Wendisch et al. 1989 39:430* Saccharopolyspora spinosa Mertz and Yao 1990 40:34* Saccharopolyspora spinosporotrichia Zhou et al. 1998 48:56* Saccharopolyspora taberi (Labeda 1987) Korn-Wendisch et al. 1989 39:430* Saccharopolyspora thermophila Lu et al. 2001 51:322* SACCHAROSPIRILLUM Labrenz et al. 2003 53:659* Saccharospirillum impatiens Labrenz et al. 2003 53:659* SACCHAROTHRIX Labeda et al. 1984 emend. Labeda and Lechevalier 1989 34:429* Saccharothrix aerocolonigenes -> Lechevalieria aerocolonigenes Saccharothrix aerocolonigenes subsp. aerocolonigenes -> Lechevalieria aerocolonigenes Saccharothrix aerocolonigenes subsp. staurosporea (corrig.) => Lentzea albida Saccharothrix aerocolonigenes subsp. staurosporeus see: Saccharothrix aerocolonigenes subsp. staurosporea Saccharothrix albidocapillata -> Lentzea albidocapillata Saccharothrix algeriensis Zitouni et al. 2004 54:1380* Saccharothrix australiensis Labeda et al. 1984 34:430* Saccharothrix coeruleofusca (Preobrazhenskaya and Sveshnikova 1974) Grund and Kroppenstedt 1990 40:320 Saccharothrix coeruleoviolacea -> Goodfellowia coeruleoviolacea Saccharothrix cryophilis -> Crossiella cryophila Saccharothrix espanaensis Labeda and Lechevalier 1989 39:420* Saccharothrix flava -> Lechevalieria flava Saccharothrix longispora (Preobrazhenskaya and Sveshnikova 1974) Grund and Kroppenstedt 1990 40:320 Saccharothrix mutabilis (Shearer et al. 1983) Labeda and Lechevalier 1989 39:420* Saccharothrix mutabilis subsp. capreolus (ex Stark et al. 1963) Grund and Kroppenstedt 1990 40:320 Saccharothrix mutabilis subsp. mutabilis (Shearer et al. 1983) Labeda and Lechevalier 1989 39:420* Saccharothrix syringae (Gauze and Sveshnikova 1985) Grund and Kroppenstedt 1990 40:320 Saccharothrix tangerinus Kinoshita et al. 2000 50:949 Saccharothrix texasensis Labeda and Lyons 1989 39:355* Saccharothrix violacea -> Lentzea violacea Saccharothrix waywayandensis -> Lentzea waywayandensis Saccharothrix xinjiangensis Hu et al. 2004 54:2093* SAGITTULA Gonzalez et al. 1997 47:778* Sagittula stellata Gonz les et al. 1997 47:778* SALANA von Wintzingerode et al. 2001 51:1659* Salana multivorans von Wintzingerode et al. 2001 51:1660* SALEGENTIBACTER McCammon and Bowman 2000 50:1062* Salegentibacter agarivorans Nedashkovskaya et al. 2006 56:886* Salegentibacter flavus Ivanova et al. 2006 56:585* Salegentibacter holothuriorum Nedashkovskaya et al. 2004 54:1109* Salegentibacter mishustinae Nedashkovskaya et al. 2005 55:237* Salegentibacter salegens (Dobson et al. 1993) McCammon and Bowman 2000 50:1062* SALIBACILLUS => VIRGIBACILLUS Salibacillus marismortui -> Virgibacillus marismortui Salibacillus salexigens -> Virgibacillus salexigens SALICOLA Maturrano et al. 2006 56:1689* Salicola marasensis Maturrano et al. 2006 56:1690* SALINIBACILLUS Ren and Zhou 2005 55:952* Salinibacillus aidingensis Ren and Zhou 2005 55:952* Salinibacillus kushneri Ren and Zhou 2005 55:952* SALINIBACTER Ant¢n et al. 2002 52:490* Salinibacter ruber Ant¢n et al. 2002 52:490* SALINIBACTERIUM Han et al. 2003 53:2065* Salinibacterium amurskyense Han et al. 2003 53:2065* SALINICOCCUS Ventosa et al. 1990 40:320 Salinicoccus alkaliphilus Zhang et al. 2002 52:792* Salinicoccus hispanicus (Marquez et al. 1990) Ventosa et al. 1993 43:398 Salinicoccus roseus Ventosa et al. 1990 40:320 SALINIMONAS Jeon et al. 2005 55:242* Salinimonas chungwhensis Jeon et al. 2005 55:242* SALINISPHAERA Antunes et al. 2003 53:1219 Salinisphaera shabanensis Antunes et al. 2003 53:1219 SALINISPORA Maldonado et al. 2005 55:1764* Salinispora arenicola Maldonado et al. 2005 55:1764* Salinispora tropica Maldonado et al. 2005 55:1764* SALINIVIBRIO Mellado et al. 1996 46:820* Salinivibrio costicola see: Salinivibrio costicola subsp. costicola Salinivibrio costicola subsp. alcaliphilus Romano et al. 2005 55:984 Salinivibrio costicola subsp. costicola (Smith 1938 emend. Garcia et al. 1987) Mellado et al. 1996 46:820* Salinivibrio costicola subsp. vallismortis Huang et al. 2000 50:621* SALIPIGER Mart¡nez-C novas et al. 2004 54:1739* Salipiger mucescens see: Salipiger mucosus Salipiger mucosus Mart¡nez-C novas et al. 2004 (corrig.) 54:1739* SALMONELLA Lignieres 1900 30:360 (AL) Salmonella arizonae -> Salmonella choleraesuis subsp. arizonae Salmonella bongori (Le Minor et al. 1985) Reeves et al. 1989 39:371 Salmonella cholerae-suis subsp. arizonae see: Salmonella choleraesuis subsp. arizonae Salmonella cholerae-suis subsp. choleraesuis see: Salmonella choleraesuis subsp. choleraesuis Salmonella cholerae-suis subsp. diarizonae see: Salmonella choleraesuis subsp. diarizonae Salmonella cholerae-suis subsp. houtenae see: Salmonella choleraesuis subsp. houtenae Salmonella cholerae-suis subsp. salamae see: Salmonella choleraesuis subsp. salamae Salmonella choleraesuis -> Salmonella enterica Salmonella choleraesuis subsp. arizonae -> Salmonella enterica subsp. arizonae Salmonella choleraesuis subsp. bongori -> Salmonella enterica subsp. bongori Salmonella choleraesuis subsp. choleraesuis -> Salmonella enterica subsp. enterica Salmonella choleraesuis subsp. diarizonae -> Salmonella enterica subsp. diarizonae Salmonella choleraesuis subsp. houtenae -> Salmonella enterica subsp. houtenae Salmonella choleraesuis subsp. indica -> Salmonella enterica subsp. indica Salmonella choleraesuis subsp. salamae -> Salmonella enterica subsp. salamae Salmonella enterica (ex Kauffmann and Edwards 1952) Le Minor and Popoff 1987 37:465* Salmonella enterica subsp. arizonae (Borman 1957) Le Minor and Popoff 1987 37:465* Salmonella enterica subsp. bongori -> Salmonella bongori Salmonella enterica subsp. diarizonae (Le Minor et al. 1985) Le Minor and Popoff 1987 37:465* Salmonella enterica subsp. enterica (ex Kauffmann and Edwards 1952) Le Minor and Popoff 1987 37:465* Salmonella enterica subsp. houtenae (Le Minor et al. 1985) Le Minor and Popoff 1987 37:465* Salmonella enterica subsp. indica (Le Minor et al. 1987) Le Minor and Popoff 1987 37:465* Salmonella enterica subsp. salamae (Le Minor et al. 1985) Le Minor and Popoff 1987 37:465* Salmonella enteritidis => Salmonella enterica subsp. enterica Salmonella paratyphi => Salmonella enterica subsp. enterica Salmonella subterranea Shelobolina et al. 2005 55:547 Salmonella typhi => Salmonella enterica subsp. enterica Salmonella typhimurium => Salmonella enterica subsp. enterica SAMSONIA Sutra et al. 2001 51:1301* Samsonia erythrinae Sutra et al. 2001 51:1301* SANDARACINOBACTER Yurkov et al. 1997 47:1177* Sandaracinobacter sibiricus Yurkov et al. 1997 47:1177* SANDARAKINORHABDUS Gich and Overmann 2006 56:852* Sandarakinorhabdus limnophila Gich and Overmann 2006 56:853* SANDARAKINOTALEA Khan et al. 2006 56:960* Sandarakinotalea sediminis Khan et al. 2006 56:962* SANGUIBACTER Fern ndez-Garayz bal et al. 1995 45:619 Sanguibacter inulinus Pascual et al. 1996 46:812* Sanguibacter keddieii Fern ndez-Garayz bal et al. 1995 45:619 Sanguibacter marinus Huang et al. 2005 55:1757* Sanguibacter suarezii Fern ndez-Garayz bal et al. 1995 45:619 SAPROSPIRA Gross 1911 30:361 (AL) Saprospira grandis Gross 1911 30:361 (AL) SARCINA Goodsir 1842 30:361 (AL) Sarcina maxima Lindner 1888 30:361 (AL) Sarcina ventriculi Goodsir 1842 30:361 (AL) SARCOBIUM => LEGIONELLA Sarcobium lyticum -> Legionella lytica SCARDOVIA Jian and Dong 2002 52:811* Scardovia inopinata (Crociani et al. 1996) Jian and Dong 2002 52:811* SCHINERIA T¢th et al. 2001 51:406* Schineria larvae T¢th et al. 2001 51:406* SCHLEGELELLA Elbanna et al. 2003 53:1167* Schlegelella thermodepolymerans Elbanna et al. 2003 emend. Ltke-Eversloh et al. 2004 53:1167* SCHWARTZIA van Gylswyk et al. 1997 47:158* Schwartzia succinivorans van Gylswyk et al. 1997 47:158* SEBALDELLA Collins and Shah 1986 36:349* Sebaldella termitidis (Sebald 1962) Collins and Shah 1986 36:349* SEDIMENTIBACTER Breitenstein et al. 2002 52:806* Sedimentibacter hydroxybenzoicus (Zhang et al. 1994) Breitenstein et al. 2002 52:806* Sedimentibacter saalensis Breitenstein et al. 2002 52:806* SEDIMINICOLA Khan et al. 2006 56:843* Sediminicola luteus Khan et al. 2006 56:844* SEGNILIPARUS Butler et al. 2005 55:1622* Segniliparus rotundus Butler et al. 2005 55:1622* Segniliparus rugosus Butler et al. 2005 55:1622* SEINONELLA Yoon et al. 2005 55:399* Seinonella peptonophila (Nonomura and Ohara 1971) Yoon et al. 2005 55:400* SEJONGIA Yi et al. 2005 55:414* Sejongia antarctica Yi et al. 2005 55:414* Sejongia jeonii Yi et al. 2005 55:415* SELENIHALANAEROBACTER Switzer Blum et al. 2001 51:1229 Selenihalanaerobacter shriftii Switzer Blum et al. 2001 51:1229 SELENOMONAS von Prowazek 1913 30:361 (AL) Selenomonas acidaminovorans -> Thermanaerovibrio acidaminovorans Selenomonas artemidis Moore et al. 1987 37:271* Selenomonas dianae Moore et al. 1987 37:271* Selenomonas flueggei Moore et al. 1987 37:271* Selenomonas infelix Moore et al. 1987 37:271* Selenomonas lacticifex Schleifer et al. 1990 40:26* Selenomonas lipolytica Dighe et al. 1998 48:790* Selenomonas noxia Moore et al. 1987 37:271* Selenomonas ruminantium Bryant 1974 30:361 (AL) Selenomonas ruminantium subsp. lactilytica Bryant 1956 30:361 (AL) Selenomonas ruminantium subsp. ruminantium Bryant 1974 30:361 (AL) Selenomonas sputigena (Flgge 1886) Boskamp 1922 30:361 (AL) SELIBERIA Aristovskaya and Parinkina 1963 30:361 (AL) Seliberia stellata Aristovskaya and Parinkina 1963 30:361 (AL) SERINICOCCUS Yi et al. 2004 54:1587* Serinicoccus marinus Yi et al. 2004 54:1588* SERPENS Hespell 1977 30:361 (AL) Serpens flexibilis Hespell 1977 30:362 (AL) SERPULA see: BRACHYSPIRA Serpula hyodysenteriae -> Brachyspira hyodysenteriae Serpula innocens -> Brachyspira innocens SERPULINA => BRACHYSPIRA Serpulina alvinipulli see: Brachyspira alvinipulli Serpulina hyodysenteriae -> Brachyspira hyodysenteriae Serpulina innocens -> Brachyspira innocens Serpulina intermedia -> Brachyspira intermedia Serpulina murdochii -> Brachyspira murdochii Serpulina pilosicoli -> Brachyspira pilosicoli SERRATIA Bizio 1823 30:362 (AL) Serratia entomophila Grimont et al. 1988 38:5* Serratia ficaria Grimont et al. 1981 31:216 Serratia fonticola Gavini et al. 1979 30:362 (AL) Serratia grimesii Grimont et al. 1983 33:439 Serratia liquefaciens (Grimes and Hennerty 1931) Bascomb et al. 1971 30:362 (AL) Serratia marcescens see: Serratia marcescens subsp. marcescens Serratia marcescens subsp. marcescens Bizio 1823 30:362 (AL) Serratia marcescens subsp. sakuensis Ajithkumar et al. 2003 53:258* Serratia marinorubra = Serratia rubidaea Serratia odorifera Grimont et al. 1978 30:362 (AL) Serratia plymuthica (Lehmann and Neumann 1896) Breed et al. 1948 30:362 (AL) Serratia proteamaculans (Paine and Stansfield 1919) Grimont et al. 1978 30:362 (AL) Serratia proteamaculans subsp. proteamaculans see: Serratia proteamaculans Serratia proteamaculans subsp. quinovora -> Serratia quinivorans Serratia quinivorans (Grimont et al. 1983) Ashelford et al. 2002 (corrig.) 52:2288* Serratia rubidaea (Stapp 1940) Ewing et al. 1973 30:362 (AL) Serratia ureilytica Bhadra et al. 2005 55:2158* SHEWANELLA MacDonell and Colwell 1986 36:354 Shewanella abyssi Miyazaki et al. 2006 56:1611* Shewanella affinis Ivanova et al. 2004 54:1092* Shewanella algae Simidu et al. 1990 emend. Nozue et al. 1992 (corrig.) 40:335* Shewanella amazonensis Venkateswaran et al. 1998 48:971* Shewanella aquimarina Yoon et al. 2004 54:2351* Shewanella baltica Ziemke et al. 1998 48:184* Shewanella benthica MacDonell and Colwell 1986 36:354 Shewanella colwelliana (Weiner et al. 1988) Coyne et al. 1990 40:320 Shewanella decolorationis Xu et al. 2005 55:367* Shewanella denitrificans Brettar et al. 2002 52:2216* Shewanella fidelis Ivanova et al. 2003 53:581* Shewanella frigidimarina Bowman et al. 1997 47:1045* Shewanella gaetbuli Yoon et al. 2004 54:490* Shewanella gelidimarina Bowman et al. 1997 47:1045* Shewanella hafniensis Satomi et al. 2006 56:247* Shewanella halifaxensis Zhao et al. 2006 56:210* Shewanella hanedai (Jensen et al. 1981) MacDonell and Colwell 1986 36:354 Shewanella japonica Ivanova et al. 2001 51:1032* Shewanella kaireitica Miyazaki et al. 2006 56:1610* Shewanella livingstonensis Bozal et al. 2002 52:202* Shewanella loihica Gao et al. 2006 56:1914* Shewanella marinintestina Satomi et al. 2003 53:497* Shewanella marisflavi Yoon et al. 2004 54:2351 Shewanella morhuae Satomi et al. 2006 56:248* Shewanella olleyana Skerratt et al. 2002 52:2104* Shewanella oneidensis Venkateswaran et al. 1999 49:721* Shewanella pacifica Ivanova et al. 2004 54:1086* Shewanella pealeana Leonardo et al. 1999 49:1349* Shewanella pneumatophori Hirota et al. 2005 55:2358* Shewanella profunda Toffin et al. 2004 54:1948* Shewanella putrefaciens (Lee et al. 1981) MacDonell and Colwell 1986 36:354 Shewanella sairae Satomi et al. 2003 53:497* Shewanella schlegeliana Satomi et al. 2003 53:497* Shewanella sediminis Zhao et al. 2005 55:1518* Shewanella surugensis Miyazaki et al. 2006 56:1612* Shewanella violacea Nogi et al. 1999 49:341 Shewanella waksmanii Ivanova et al. 2003 53:1476* Shewanella woodyi Makemson et al. 1997 47:1039* SHIGELLA Castellani and Chalmers 1919 30:362 (AL) Shigella boydii Ewing 1949 30:363 (AL) Shigella dysenteriae (Shiga 1898) Castellani and Chalmers 1919 30:363 (AL) Shigella flexneri Castellani and Chalmers 1919 30:363 (AL) Shigella sonnei (Levine 1920) Weldin 1927 30:363 (AL) SHIMIA Choi and Cho 2006 56:1872* Shimia marina Choi and Cho 2006 56:1872* SHINELLA An et al. 2006 56:446* Shinella granuli An et al. 2006 56:447* Shinella zoogloeoides An et al. 2006 56:447* SHUTTLEWORTHIA Downes et al. 2002 52:1473* Shuttleworthia satelles Downes et al. 2002 52:1474* SILANIMONAS Lee et al. 2005 55:387* Silanimonas lenta Lee et al. 2005 55:388* SILICIBACTER Petursdottir and Kristjansson 1999 49:1325 Silicibacter lacuscaerulensis Petursdottir and Kristjansson 1999 49:1325 Silicibacter pomeroyi Gonz lez et al. 2003 53:1268* SILVIMONAS Yang et al. 2005 55:2332* Silvimonas terrae Yang et al. 2005 55:2332* SIMKANIA Everett et al. 1999 49:435* Simkania negevensis Everett et al. 1999 49:435* SIMONSIELLA Schmid 1922 30:363 (AL) Simonsiella crassa -> Alysiella crassa Simonsiella muelleri Schmid 1922 30:363 (AL) Simonsiella steedae -> Conchiformibius steedae SIMPLICISPIRA Grabovich et al. 2006 56:575* Simplicispira metamorpha (Terasaki 1961) Grabovich et al. 2006 56:575* Simplicispira psychrophila (Terasaki 1973) Grabovich et al. 2006 56:575* SINOCOCCUS Li et al. 2006 56:1191* Sinococcus qinghaiensis Li et al. 2006 56:1191* SINORHIZOBIUM = ENSIFER Sinorhizobium adhaerens (Casida 1982) Willems et al. 2003 (Request for an Opinion) 53:1215* Sinorhizobium americanum Toledo et al. 2004 (corrig.) 54:1909 Sinorhizobium arboris -> Ensifer arboris Sinorhizobium fredii -> Ensifer fredii Sinorhizobium kostiense -> Ensifer kostiensis Sinorhizobium kummerowiae -> Ensifer kummerowiae Sinorhizobium medicae -> Ensifer medicae Sinorhizobium meliloti -> Ensifer meliloti Sinorhizobium morelense => Ensifer adhaerens Sinorhizobium saheli -> Ensifer saheli Sinorhizobium terangae -> Ensifer terangae Sinorhizobium xinjiangense -> Ensifer xinjiangensis Sinorhizobium xinjiangensis see: Ensifer xinjiangensis SKERMANELLA Sly and Stackebrandt 1999 49:543* Skermanella parooensis (Skerman et al. 1983) Sly and Stackebrandt 1999 49:543* SKERMANIA Chun et al. 1997 47:129* Skermania piniformis (Blackall et al. 1989) Chun et al. 1997 47:129* SLACKIA Wade et al. 1999 49:598* Slackia exigua (Poco et al. 1996) Wade et al. 1999 49:598* Slackia faecicanis Lawson et al. 2005 55:1246* Slackia heliotrinireducens (Lanigan 1983) Wade et al. 1999 49:599* SMITHELLA Liu et al. 1999 49:553* Smithella propionica Liu et al. 1999 49:554* SNEATHIA Collins et al. 2002 52:687 Sneathia sanguinegens Collins et al. 2002 52:687 SODALIS Dale and Maudlin 1999 49:273* Sodalis glossinidius Dale and Maudlin 1999 49:273* SOEHNGENIA Parshina et al. 2003 53:1797* Soehngenia saccharolytica Parshina et al. 2003 53:1797* SOLIRUBROBACTER Singleton et al. 2003 53:489* Solirubrobacter pauli Singleton et al. 2003 53:489* SOLOBACTERIUM Kageyama and Benno 2000 50:1415 Solobacterium moorei Kageyama and Benno 2000 50:1415 SPHAEROBACTER Demharter et al. 1989 39:496 Sphaerobacter thermophilus Demharter et al. 1989 39:496 SPHAEROTILUS Kutzing 1833 30:363 (AL) Sphaerotilus natans Kutzing 1833 30:363 (AL) SPHINGOBACTERIUM Yabuuchi et al. 1983 33:592* Sphingobacterium antarcticum Shivaji et al. 1992 (corrig.) 42:105* Sphingobacterium antarcticus see: Sphingobacterium antarcticum Sphingobacterium daejeonense Kim et al. 2006 56:2035* Sphingobacterium faecium Takeuchi and Yokota 1993 43:864 Sphingobacterium heparinum -> Pedobacter heparinus Sphingobacterium mizutae see: Sphingobacterium mizutaii Sphingobacterium mizutaii (corrig.) -> Flavobacterium mizutaii Sphingobacterium multivorum (Holmes et al. 1981) Yabuuchi et al. 1983 33:594* Sphingobacterium piscium -> Pedobacter piscium Sphingobacterium spiritivorum (Holmes et al. 1982) Yabuuchi et al. 1983 33:594* Sphingobacterium thalpophilum (Holmes et al. 1983) Takeuchi and Yokota 1993 43:864 SPHINGOBIUM = SPHINGOMONAS Sphingobium amiense Ushiba et al. 2003 53:2048* Sphingobium chlorophenolicum = Sphingomonas chlorophenolica Sphingobium chungbukense (Kim et al. 2000) Pal et al. 2005 55:1971* Sphingobium cloacae (Fujii et al. 2001) Prakash and Lal 2006 56:2151* Sphingobium francense Pal et al. 2005 55:1971* Sphingobium fuliginis Prakash and Lal 2006 56:2150* Sphingobium herbicidovorans = Sphingomonas herbicidovorans Sphingobium indicum Pal et al. 2005 55:1971* Sphingobium japonicum Pal et al. 2005 55:1971* Sphingobium xenophagum (Stolz et al. 2000) Pal et al. 2006 56:669* Sphingobium yanoikuyae = Sphingomonas yanoikuyae SPHINGOMONAS Yabuuchi et al. 1990 emend. Takeuchi et al. 1993 emend. Yabuuchi et al. 1999 emend. Takeuchi et al. 2001 emend. Yabuuchi et al. 2002 emend. Busse et al. 2003 40:321 Sphingomonas abaci Busse et al. 2005 55:2568* Sphingomonas adhaesiva Yabuuchi et al. 1990 40:321 Sphingomonas aerolata Busse et al. 2003 53:1259* Sphingomonas alaskensis -> Sphingopyxis alaskensis Sphingomonas aquatilis Lee et al. 2001 51:1495* Sphingomonas aromaticivorans Balkwill et al. 1997 47:199* Sphingomonas asaccharolytica Takeuchi et al. 1995 45:341* Sphingomonas aurantiaca Busse et al. 2003 53:1259* Sphingomonas azotifigens Xie and Yokota 2006 56:892* Sphingomonas capsulata (Leifson 1962) Yabuuchi et al. 1990 40:321 Sphingomonas chlorophenolica Nohynek et al. 1996 46:625 Sphingomonas chungbukensis -> Sphingobium chungbukense Sphingomonas cloacae -> Sphingobium cloacae Sphingomonas dokdonensis Yoon et al. 2006 56:2167* Sphingomonas echinoides (Heumann 1962) Denner et al. 1999 49:1108* Sphingomonas faeni Busse et al. 2003 53:1259* Sphingomonas herbicidovorans Zipper et al. 1997 47:601 Sphingomonas koreensis Lee et al. 2001 51:1496* Sphingomonas macrogoltabidus Takeuchi et al. 1993 43:864 Sphingomonas mali Takeuchi et al. 1995 45:341* Sphingomonas melonis Buonaurio et al. 2002 52:2086* Sphingomonas natatoria (Sly 1985) Yabuuchi et al. 1999 49:935 Sphingomonas oligophenolica Ohta et al. 2004 54:2189* Sphingomonas panni Busse et al. 2005 55:2568* Sphingomonas parapaucimobilis Yabuuchi et al. 1990 40:321 Sphingomonas paucimobilis (Holmes et al. 1977) Yabuuchi et al. 1990 40:321 Sphingomonas phyllosphaerae Rivas et al. 2004 54:2150* Sphingomonas pituitosa Denner et al. 2001 51:837* Sphingomonas pruni Takeuchi et al. 1995 45:340* Sphingomonas rosa Takeuchi et al. 1995 45:340* Sphingomonas roseiflava Yun et al. 2000 (corrig.) 50:1415 Sphingomonas sanguinis Takeuchi et al. 1993 (corrig.) 43:864 Sphingomonas soli Yang et al. 2006 56:706* Sphingomonas stygia Balkwill et al. 1997 47:199* Sphingomonas subarctica Nohynek et al. 1996 46:1053* Sphingomonas suberifaciens (van Bruggen et al. 1990) Yabuuchi et al. 1999 49:935 Sphingomonas subterranea Balkwill et al. 1997 47:199* Sphingomonas taejonensis -> Sphingopyxis taejonensis Sphingomonas terrae Takeuchi et al. 1993 43:864 Sphingomonas trueperi K„mpfer et al. 1997 47:579* Sphingomonas ursincola (Yurkov et al. 1997) Yabuuchi et al. 1999 49:935 Sphingomonas wittichii Yabuuchi et al. 2001 51:289* Sphingomonas xenophaga -> Sphingobium xenophagum Sphingomonas yabuuchiae Li et al. 2004 54:824* Sphingomonas yanoikuyae Yabuuchi et al. 1990 40:321 Sphingomonas yunnanensis Zhang et al. 2005 55:2364* SPHINGOPYXIS = SPHINGOMONAS Sphingopyxis alaskensis (Vancanneyt et al. 2001) Godoy et al. 2003 53:476* Sphingopyxis baekryungensis Yoon et al. 2005 55:1226* Sphingopyxis chilensis Godoy et al. 2003 53:476* Sphingopyxis flavimaris Yoon and Oh 2005 55:372* Sphingopyxis macrogoltabida = Sphingomonas macrogoltabidus Sphingopyxis taejonensis (Lee et al. 2001) Pal et al. 2006 56:670* Sphingopyxis terrae = Sphingomonas terrae Sphingopyxis witflariensis K„mpfer et al. 2002 52:2032* SPHINGOSINICELLA Maruyama et al. 2006 56:88* Sphingosinicella microcystinivorans Maruyama et al. 2006 56:89* SPIRILLIPLANES Tamura et al. 1997 47:101* Spirilliplanes yamanashiensis Tamura et al. 1997 47:102* SPIRILLOSPORA Couch 1963 30:363 (AL) Spirillospora albida Couch 1963 30:363 (AL) Spirillospora rubra (ex Sch„fer 1973) Vobis and Kothe 1989 39:496 SPIRILLUM Ehrenberg 1832 30:363 (AL) Spirillum volutans Ehrenberg 1832 30:363 (AL) SPIROCHAETA Ehrenberg 1835 30:363 (AL) Spirochaeta africana Zhilina et al. 1996 46:310* Spirochaeta alkalica Zhilina et al. 1996 46:309* Spirochaeta americana Hoover et al. 2003 53:820* Spirochaeta asiatica Zhilina et al. 1996 46:311* Spirochaeta aurantia (ex Vinzent 1926) Canale-Parola 1980 30:594* Spirochaeta aurantia subsp. aurantia (ex Vinzent 1926) Canale-Parola 1980 30:594* Spirochaeta aurantia subsp. stricta Canale-Parola 1984 34:356 Spirochaeta bajacaliforniensis Fracek and Stolz 2004 54:631 Spirochaeta caldaria Pohlschroeder et al. 1995 45:880 Spirochaeta coccoides Dr”ge et al. 2006 56:1460* Spirochaeta halophila Greenberg and Canale-Parola 1977 30:364 (AL) Spirochaeta isovalerica Harwood and Canale-Parola 1983 33:578* Spirochaeta litoralis (ex Hespell and Canale-Parola 1970) Canale-Parola 1980 30:594* Spirochaeta plicatilis Ehrenberg 1835 30:364 (AL) Spirochaeta smaragdinae Magot et al. 1998 48:1083 Spirochaeta stenostrepta Zuelzer 1912 30:364 (AL) Spirochaeta thermophila Aksenova et al. 1992 42:176* Spirochaeta zuelzerae (ex Veldkamp 1960) Canale-Parola 1980 30:594* SPIROPLASMA Saglio et al. 1973 30:364 (AL) Spiroplasma alleghenense Adams et al. 1997 47:762* Spiroplasma apis Mouches et al. 1984 34:91 Spiroplasma atrichopogonis Koerber et al. 2005 55:291* Spiroplasma cantharicola Whitcomb et al. 1993 43:423* Spiroplasma chinense Guo et al. 1990 40:424* Spiroplasma chrysopicola Whitcomb et al. 1997 47:718* Spiroplasma citri Saglio et al. 1973 30:364 (AL) Spiroplasma clarkii Whitcomb et al. 1993 43:264* Spiroplasma corruscae Hackett et al. 1996 46:949* Spiroplasma culicicola Hung et al. 1987 37:365* Spiroplasma diabroticae Carle et al. 1997 47:80* Spiroplasma diminutum Williamson et al. 1996 46:232* Spiroplasma floricola Davis et al. 1981 31:462* Spiroplasma gladiatoris Whitcomb et al. 1997 47:718* Spiroplasma helicoides Whitcomb et al. 1997 47:718* Spiroplasma insolitum Hackett et al. 1993 43:276* Spiroplasma ixodetis Tully et al. 1995 45:27* Spiroplasma kunkelii Whitcomb et al. 1986 36:170* Spiroplasma lampyridicola Stevens et al. 1997 47:711* Spiroplasma leptinotarsae Hackett et al. 1996 46:910* Spiroplasma leucomae Oduori et al. 2005 55:2450* Spiroplasma lineolae French et al. 1997 47:1080* Spiroplasma litorale Konai et al. 1997 47:361* Spiroplasma melliferum Clark et al. 1985 35:296* Spiroplasma mirum Tully et al. 1982 32:99* Spiroplasma monobiae Whitcomb et al. 1993 43:259* Spiroplasma montanense Whitcomb et al. 1997 47:722* Spiroplasma penaei Nunan et al. 2005 55:2320* Spiroplasma phoeniceum Saillard et al. 1987 37:106* Spiroplasma platyhelix Williamson et al. 1997 47:766* Spiroplasma poulsonii Williamson et al. 1999 49:616* Spiroplasma sabaudiense Abalain-Colloc et al. 1987 37:260* Spiroplasma syrphidicola Whitcomb et al. 1996 46:799* Spiroplasma tabanidicola Whitcomb et al. 1997 47:718* Spiroplasma taiwanense Abalain-Colloc et al. 1988 38:103* Spiroplasma turonicum H‚lias et al. 1998 48:460* Spiroplasma velocicrescens Konai et al. 1995 45:205* SPIROSOMA Migula 1894 30:364 (AL) Spirosoma linguale Migula 1894 30:364 (AL) SPORACETIGENIUM Chen et al. 2006 56:724* Sporacetigenium mesophilum Chen et al. 2006 56:724* SPORANAEROBACTER Hernandez-Eugenio et al. 2002 52:1221* Sporanaerobacter acetigenes Hernandez-Eugenio et al. 2002 52:1221* SPORICHTHYA Lechevalier et al. 1968 30:364 (AL) Sporichthya brevicatena Tamura et al. 1999 49:1783* Sporichthya polymorpha Lechevalier et al. 1968 30:364 (AL) SPOROBACTER Grech-Mora et al. 1996 46:517* Sporobacter termitidis Grech-Mora et al. 1996 46:517* SPOROBACTERIUM Mechichi et al. 1999 49:1747* Sporobacterium olearium Mechichi et al. 1999 49:1747* SPOROCYTOPHAGA Stanier 1940 30:364 (AL) Sporocytophaga myxococcoides (Krzemieniewska 1933) Stanier 1940 30:364 (AL) SPOROHALOBACTER Oren et al. 1988 38:136 Sporohalobacter lortetii (Oren 1984) Oren et al. 1988 38:136 Sporohalobacter marismortui -> Orenia marismortui SPOROLACTOBACILLUS Kitahara and Suzuki 1963 30:364 (AL) Sporolactobacillus inulinus (Kitahara and Suzuki 1963) Kitahara and Lai 1967 30:364 (AL) Sporolactobacillus kofuensis Yanagida et al. 1997 47:503* Sporolactobacillus lactosus Yanagida et al. 1997 47:503* Sporolactobacillus nakayamae subsp. nakayamae Yanagida et al. 1997 47:502* Sporolactobacillus nakayamae subsp. racemicus Yanagida et al. 1997 47:503* Sporolactobacillus terrae Yanagida et al. 1997 47:503* SPOROMUSA M”ller et al. 1985 35:223 Sporomusa acidovorans Ollivier et al. 1990 40:105 Sporomusa aerivorans Boga et al. 2003 53:1403* Sporomusa malonica Dehning et al. 1990 40:321 Sporomusa ovata M”ller et al. 1985 35:223 Sporomusa paucivorans Hermann et al. 1987 37:93* Sporomusa rhizae G”áner et al. 2006 56:1460* Sporomusa silvacetica Kuhner et al. 1997 47:357* Sporomusa sphaeroides M”ller et al. 1985 35:223 Sporomusa termitida Breznak et al. 1990 40:212 SPOROSARCINA Kluyver and van Niel 1936 emend. Yoon et al. 2001 30:365 (AL) Sporosarcina aquimarina Yoon et al. 2001 51:1084* Sporosarcina globispora (Larkin and Stokes 1967) Yoon et al. 2001 51:1085* Sporosarcina halophila -> Halobacillus halophilus Sporosarcina macmurdoensis Reddy et al. 2003 53:1366* Sporosarcina pasteurii (Miquel 1889) Yoon et al. 2001 51:1085* Sporosarcina psychrophila (Nakamura 1984) Yoon et al. 2001 51:1085* Sporosarcina ureae (Beijerinck 1901) Kluyver and van Niel 1936 30:365 (AL) SPOROTOMACULUM Brauman et al. 1998 48:219* Sporotomaculum hydroxybenzoicum Brauman et al. 1998 48:219* Sporotomaculum syntrophicum Qiu et al. 2003 53:936 STACKEBRANDTIA Labeda and Kroppenstedt 2005 55:1690* Stackebrandtia nassauensis Labeda and Kroppenstedt 2005 55:1690* STALEYA Labrenz et al. 2000 50:310* Staleya guttiformis Labrenz et al. 2000 50:311* STANIERELLA => AQUIMARINA Stanierella latercula -> Aquimarina latercula STAPHYLOCOCCUS Rosenbach 1884 30:365 (AL) Staphylococcus arlettae Schleifer et al. 1985 35:224 Staphylococcus aureus see: Staphylococcus aureus subsp. aureus Staphylococcus aureus subsp. anaerobius De La Fuente et al. 1985 35:99* Staphylococcus aureus subsp. aureus Rosenbach 1884 30:365 (AL) Staphylococcus auricularis Kloos and Schleifer 1983 33:9* Staphylococcus capitis see: Staphylococcus capitis subsp. capitis Staphylococcus capitis subsp. capitis Kloos and Schleifer 1975 30:365 (AL) Staphylococcus capitis subsp. urealyticus Bannerman and Kloos 1991 (corrig.) 41:145* Staphylococcus capitis subsp. ureolyticus see: Staphylococcus capitis subsp. urealyticus Staphylococcus caprae Devriese et al. 1983 emend. Kawamura et al. 1998 33:483* Staphylococcus carnosus see: Staphylococcus carnosus subsp. carnosus Staphylococcus carnosus subsp. carnosus Schleifer and Fischer 1982 32:153* Staphylococcus carnosus subsp. utilis Probst et al. 1998 48:657* Staphylococcus caseolyticus -> Macrococcus caseolyticus Staphylococcus chromogenes (Devriese et al. 1978) Hajek et al. 1987 37:179 Staphylococcus cohnii See: Staphylococcus cohnii subsp. cohnii Staphylococcus cohnii subsp. cohnii Schleifer and Kloos 1975 30:365 (AL) Staphylococcus cohnii subsp. urealyticum Kloos and Wolfshohl 1991 41:287* Staphylococcus condimenti Probst et al. 1998 48:656* Staphylococcus delphini Varaldo et al. 1988 38:436* Staphylococcus epidermidis (Winslow and Winslow 1908) Evans 1916 30:365 (AL) Staphylococcus equorum see: Staphylococcus equorum subsp. equorum Staphylococcus equorum subsp. equorum Schleifer et al. 1985 35:224; 53:1219 Staphylococcus equorum subsp. linens Place et al. 2003 53:1219 Staphylococcus felis Igimi et al. 1989 39:373* Staphylococcus fleurettii Vernozy-Rozand et al. 2000 50:1523* Staphylococcus gallinarum Devriese et al. 1983 33:481* Staphylococcus haemolyticus Schleifer and Kloos 1975 30:365 (AL) Staphylococcus hominis see: Staphylococcus hominis subsp. hominis Staphylococcus hominis subsp. hominis Kloos and Schleifer 1975 emend. Kloos et al. 1998 30:365 (AL) Staphylococcus hominis subsp. novobiosepticus Kloos et al. 1998 48:809* Staphylococcus hyicus (Sompolinski 1953) Devriese et al. 1978 30:365 (AL) Staphylococcus hyicus subsp. chromogenes -> Staphylococcus chromogenes Staphylococcus hyicus subsp. hyicus see: Staphylococcus hyicus Staphylococcus intermedius Hajek 1976 30:366 (AL) Staphylococcus kloosii Schleifer et al. 1985 35:224 Staphylococcus lentus (Kloos et al. 1967) Schleifer et al. 1983 33:897 Staphylococcus lugdunensis Freney et al. 1988 38:168* Staphylococcus lutrae Foster et al. 1997 47:726* Staphylococcus muscae H jek et al. 1992 42:99* Staphylococcus nepalensis Spergser et al. 2003 53:2010* Staphylococcus pasteuri Chesneau et al. 1993 43:241* Staphylococcus piscifermentans Tanasupawat et al. 1992 42:578* Staphylococcus pseudintermedius Devriese et al. 2005 55:1572* Staphylococcus pulvereri => Staphylococcus vitulinus Staphylococcus saccharolyticus (Foubert and Douglas 1948) Kilpper-B„lz and Schleifer 1984 34:91 Staphylococcus saprophyticus see: Staphylococcus saprophyticus subsp. saprophyticus Staphylococcus saprophyticus subsp. bovis H jek et al. 1996 46:793* Staphylococcus saprophyticus subsp. saprophyticus (Fairbrother 1940) Shaw et al. 1951 30:366 (AL); 46:793* Staphylococcus schleiferi see: Staphylococcus schleiferi subsp. schleiferi Staphylococcus schleiferi subsp. coagulans Igimi et al. 1990 40:410* Staphylococcus schleiferi subsp. schleiferi Freney et al. 1988 38:168* Staphylococcus sciuri see: Staphylococcus sciuri subsp. sciuri Staphylococcus sciuri subsp. carnaticus Kloos et al. 1997 47:320* Staphylococcus sciuri subsp. lentus -> Staphylococcus lentus Staphylococcus sciuri subsp. rodentium Kloos et al. 1997 47:321* Staphylococcus sciuri subsp. sciuri Kloos et al. 1976 emend. Kloos et al. 1997 30:366 (AL) Staphylococcus simiae Pantucek et al. 2005 55:1947* Staphylococcus simulans Kloos and Schleifer 1975 30:366 (AL) Staphylococcus succinus see: Staphylococcus succinus subsp. succinus Staphylococcus succinus subsp. casei Place et al. 2003 53:1 Staphylococcus succinus subsp. succinus Lambert et al. 1998 48:516*; 53:1 Staphylococcus vitulinus Webster et al. 1994 emend. Svec et al. 2004 (corrig.) 44:458* Staphylococcus warneri Kloos and Schleifer 1975 30:366 (AL) Staphylococcus xylosus Schleifer and Kloos 1975 30:366 (AL) STAPHYLOTHERMUS Stetter and Fiala 1986 36:573 Staphylothermus hellenicus Arab et al. 2000 50:2106* Staphylothermus marinus Stetter and Fiala 1986 36:573 STAPPIA Uchino et al. 1999 49:2 Stappia aggregata (ex Ahrens 1968) Uchino et al. 1999 49:2 Stappia alba Pujalte et al. 2006 56:3 Stappia marina Kim et al. 2006 56:78* Stappia stellulata (Rger and H”fle 1992) Uchino et al. 1999 49:2 STARKEYA Kelly et al. 2000 50:1800* Starkeya koreensis Im et al. 2006 56:2411* Starkeya novella (Starkey 1934) Kelly et al. 2000 50:1800* STELLA Vasilyeva 1985 35:518* Stella humosa Vasilyeva 1985 35:518* Stella vacuolata Vasilyeva 1985 35:518* STENOTHERMOBACTER Lau et al. 2006 56:184* Stenothermobacter spongiae Lau et al. 2006 56:184* STENOTROPHOMONAS Palleroni and Bradbury 1993 43:608* Stenotrophomonas acidaminiphila Assih et al. 2002 52:567* Stenotrophomonas africana => Stenotrophomonas maltophilia Stenotrophomonas dokdonensis Yoon et al. 2006 56:1366* Stenotrophomonas koreensis Yang et al. 2006 56:83* Stenotrophomonas maltophilia (Hugh 1981) Palleroni and Bradbury 1993 43:608* Stenotrophomonas nitritireducens Finkmann et al. 2000 50:281* Stenotrophomonas rhizophila Wolf et al. 2002 52:1943* STEROLIBACTERIUM Tarlera and Denner 2003 53:1089* Sterolibacterium denitrificans Tarlera and Denner 2003 53:1090* STETTERIA Jochimsen et al. 1998 48:328 Stetteria hydrogenophila Jochimsen et al. 1998 48:328 STIBIOBACTER Lyalikova 1974 30:366 (AL) Stibiobacter senarmontii Lyalikova 1974 30:366 (AL) STIGMATELLA Berkeley and Curtis 1875 30:366 (AL) Stigmatella aurantiaca Berkeley and Curtis 1875 30:366 (AL) Stigmatella erecta (Schroeter 1886) McCurdy 1971 30:366 (AL) STOMATOCOCCUS = ROTHIA Stomatococcus mucilaginosus -> Rothia mucilaginosa STREPTACIDIPHILUS Kim et al. 2003 53:1219 Streptacidiphilus albus Kim et al. 2003 53:1219 Streptacidiphilus carbonis Kim et al. 2003 53:1219 Streptacidiphilus jiangxiensis Huang et al. 2005 55:1744 Streptacidiphilus neutrinimicus Kim et al. 2003 53:1219 Streptacidiphilus oryzae Wang et al. 2006 56:1260* STREPTIMONOSPORA see: STREPTOMONOSPORA Streptimonospora salina see: Streptomonospora salina STREPTOALLOTEICHUS (ex Tomita et al. 1978) Tomita et al. 1987 37:211* Streptoalloteichus hindustanus Tomita et al. 1987 37:211* STREPTOBACILLUS Levaditi et al. 1925 30:366 (AL) Streptobacillus moniliformis Levaditi et al. 1925 30:366 (AL) STREPTOCOCCUS Rosenbach 1884 30:367 (AL) Streptococcus acidominimus Ayers and Mudge 1922 30:367 (AL) Streptococcus adjacens -> Granulicatella adiacens Streptococcus agalactiae Lehmann and Neumann 1896 30:367 (AL) Streptococcus alactolyticus Farrow et al. 1985 35:224 Streptococcus anginosus (Andrewes and Horder 1906) Smith and Sherman 1938 emend. Whiley and Beighton 1991 30:367 (AL) Streptococcus australis Willcox et al. 2001 51:1281* Streptococcus bovis Orla-Jensen 1919 30:367 (AL) Streptococcus canis Devriese et al. 1986 36:422* Streptococcus caprinus => Streptococcus gallolyticus Streptococcus casseliflavus -> Enterococcus casseliflavus Streptococcus castoreus Lawson et al. 2005 55:845* Streptococcus cecorum -> Enterococcus cecorum Streptococcus constellatus see: Streptococcus constellatus subsp. constellatus Streptococcus constellatus subsp. constellatus (Pr‚vot 1924) Holdeman and Moore 1974 emend. Whiley and Beighton 1991 emend. Whiley et al. 1999 30:36 (AL) Streptococcus constellatus subsp. pharyngis Whiley et al. 1999 49:1448* Streptococcus cremoris -> Lactococcus lactis subsp. cremoris Streptococcus criceti Coykendall 1977 (corrig.) 30:367 (AL) Streptococcus cristatus Handley et al. 1991 (corrig.) 41:546* Streptococcus defectivus -> Abiotrophia defectiva Streptococcus devriesei Collins et al. 2004 54:631 Streptococcus didelphis Rurangirwa et al. 2000 50:765* Streptococcus difficile see: Streptococcus difficilis Streptococcus difficilis (corrig.) => Streptococcus agalactiae Streptococcus downei Whiley et al. 1988 38:25* Streptococcus durans = Enterococcus durans Streptococcus dysgalactiae see: Streptococcus dysgalactiae subsp. dysgalactiae Streptococcus dysgalactiae subsp. dysgalactiae (ex Diernhofer 1932) Garvie et al. 1983 emend. Vieira et al. 1998 33:404* Streptococcus dysgalactiae subsp. equisimilis Vandamme et al. 1996 emend. Vieira et al. 1998 46:780* Streptococcus entericus Vela et al. 2002 52:668* Streptococcus equi see: Streptococcus equi subsp. equi Streptococcus equi subsp. equi Sand and Jensen 1888 30:367 (AL) Streptococcus equi subsp. ruminatorum Fern ndez et al. 2004 54:2295* Streptococcus equi subsp. zooepidemicus (ex Frost and Englebrecht 1936) Farrow and Collins 1985 35:224 Streptococcus equinus Andrewes and Horder 1906 30:367 (AL) Streptococcus faecalis -> Enterococcus faecalis Streptococcus faecium -> Enterococcus faecium Streptococcus faecium subsp. casseliflavus -> Enterococcus casseliflavus Streptococcus ferus (ex Coykendall 1977) Coykendall 1983 emend. Baele et al. 2003 33:883* Streptococcus gallinaceus Collins et al. 2002 52:1163* Streptococcus gallinarum -> Enterococcus gallinarum Streptococcus gallolyticus Osawa et al. 1996 emend. Schlegel et al. 2003 46:362 Streptococcus gallolyticus subsp. gallolyticus Osawa et al. 1996 46:362; 53:643* Streptococcus gallolyticus subsp. macedonicus (Tsakalidou et al. 1998) Schlegel et al. 2003 53:643* Streptococcus gallolyticus subsp. pasteurianus (Poyart et al. 2002) Schlegel et al. 2003 53:643* Streptococcus garvieae -> Lactococcus garvieae Streptococcus gordonii Kilian et al. 1989 39:471* Streptococcus halichoeri Lawson et al. 2004 54:1756* Streptococcus hansenii -> Ruminococcus hansenii Streptococcus hyointestinalis Devriese et al. 1988 38:440* Streptococcus hyovaginalis Devriese et al. 1997 47:1077* Streptococcus infantarius Schlegel et al. 2000 50:1432* Streptococcus infantarius subsp. coli Schlegel et al. 2003 53:642* "Streptococcus infantarius subsp. coli" (not validly published) see: Streptococcus lutetiensis Streptococcus infantarius subsp. infantarius Schlegel et al. 2003 53:642* "Streptococcus infantarius subsp. infantarius" (not validly published) see: Streptococcus infantarius Streptococcus infantis Kawamura et al. 1998 48:926* Streptococcus iniae Pier and Madin 1976 30:367 (AL) Streptococcus intermedius Pr‚vot 1925 emend. Whiley and Beighton 1991 30:367 (AL) Streptococcus intestinalis => Streptococcus alactolyticus Streptococcus lactis -> Lactococcus lactis subsp. lactis Streptococcus lactis subsp. cremoris -> Lactococcus lactis subsp. cremoris Streptococcus lactis subsp. diacetilactis => Lactococcus lactis subsp. lactis Streptococcus lutetiensis Poyart et al. 2002 52:1253* Streptococcus macacae Beighton et al. 1984 34:333* Streptococcus macedonicus -> Streptococcus gallolyticus subsp. macedonicus Streptococcus marimammalium Lawson et al. 2005 55:274* Streptococcus massiliensis Glazunova et al. 2006 56:1130* Streptococcus minor Vancanneyt et al. 2004 54:451* Streptococcus mitis Andrewes and Horder 1906 30:368 (AL) Streptococcus morbillorum -> Gemella morbillorum Streptococcus mutans Clarke 1924 30:368 (AL) Streptococcus oligofermentans Tong et al. 2003 53:1103* Streptococcus oralis Bridge and Sneath 1982 32:410* Streptococcus orisratti Zhu et al. 2000 50:60* Streptococcus ovis Collins et al. 2001 51:1149* Streptococcus parasanguinis Whiley et al. 1990 (corrig.) 40:321 Streptococcus parauberis Williams and Collins 1990 40:470 Streptococcus parvulus -> Atopobium parvulum Streptococcus pasteurianus -> Streptococcus gallolyticus subsp. pasteurianus Streptococcus peroris Kawamura et al. 1998 48:926* Streptococcus phocae Skaar et al. 1994 44:649* Streptococcus plantarum -> Lactococcus plantarum Streptococcus pleomorphus Barnes et al. 1979 30:368 (AL) Streptococcus pluranimalium Devriese et al. 1999 49:1225* Streptococcus pneumoniae (Klein 1884) Chester 1901 30:368 (AL) Streptococcus porcinus Collins et al. 1985 35:224 Streptococcus pseudopneumoniae Arbique et al. 2005 55:1 Streptococcus pyogenes Rosenbach 1884 30:368 (AL) Streptococcus raffinolactis -> Lactococcus raffinolactis Streptococcus ratti Coykendall 1977 (corrig.) 30:368 (AL) Streptococcus saccharolyticus -> Enterococcus saccharolyticus Streptococcus salivarius Andrewes and Horder 1906 30:368 (AL) Streptococcus salivarius subsp. thermophilus -> Streptococcus thermophilus Streptococcus sanguinis White and Niven 1946 (corrig.) 30:368 (AL) Streptococcus shiloi => Streptococcus iniae Streptococcus sinensis Woo et al. 2002 52:1438 Streptococcus sobrinus (ex Coykendall 1974) Coykendall 1983 33:883* Streptococcus suis (ex Elliott 1966) Kilpper-B„lz and Schleifer 1987 37:160* Streptococcus thermophilus (ex Orla-Jensen 1919) Schleifer et al. 1995 45:619 Streptococcus thermophilus -> Streptococcus thermophilus Streptococcus thoraltensis Devriese et al. 1997 47:1077* Streptococcus uberis Diernhofer 1932 30:368 (AL) Streptococcus urinalis Collins et al. 2000 50:1177* Streptococcus vestibularis Whiley and Hardie 1988 38:335* Streptococcus waius => Streptococcus gallolyticus subsp. macedonicus STREPTOMONOSPORA Cui et al. 2001 emend. Li et al. 2003 (corrig.) 51:362* Streptomonospora alba Li et al. 2003 53:1424* Streptomonospora salina Cui et al. 2001 (corrig.) 51:362* STREPTOMYCES Waksman and Henrici 1943 30:368 (AL) Streptomyces abikoensis (Umezawa et al. 1951) Witt and Stackebrandt 1991 41:456 Streptomyces aburaviensis Nishimura et al. 1957 30:368 (AL) Streptomyces achromogenes see: Streptomyces achromogenes subsp. achromogenes Streptomyces achromogenes subsp. achromogenes Okami and Umezawa 1953 30:369 (AL) Streptomyces achromogenes subsp. rubradiris Bhuyan et al. 1965 30:369 (AL) Streptomyces acidiscabies Lambert and Loria 1989 39:393* Streptomyces acrimycini (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:369 (AL) Streptomyces aculeolatus Shomura et al. 1988 38:136 Streptomyces afghaniensis Shimo et al. 1959 30:369 (AL) Streptomyces africanus Meyers et al. 2004 54:1534* Streptomyces alanosinicus Thiemann and Beretta 1966 30:369 (AL) Streptomyces albaduncus Tsukiura et al. 1964 30:369 (AL) Streptomyces albiaxialis Kuznetsov et al. 1993 43:398 Streptomyces albidochromogenes Preobrazhenskaya 1986 36:573 Streptomyces albidoflavus (Rossi Doria 1891) Waksman and Henrici 1948 30:369 (AL) Streptomyces albireticuli => Streptomyces eurocidicus Streptomyces albofaciens Thirumalachar and Bhatt 1960 30:369 (AL) Streptomyces alboflavus (Waksman and Curtis 1916) Waksman and Henrici 1948 30:369 (AL) Streptomyces albogriseolus Benedict et al. 1954 30:370 (AL) Streptomyces albolongus Tsukiura et al. 1964 30:370 (AL) Streptomyces alboniger Porter et al. 1952 30:370 (AL) Streptomyces albospinus Wang et al. 1966 30:370 (AL) Streptomyces albosporeus see: Streptomyces albosporeus subsp. albosporeus Streptomyces albosporeus subsp. albosporeus => Streptomyces aurantiacus Streptomyces albosporeus subsp. labilomyceticus Okami et al. 1963 30:370 (AL) Streptomyces alboverticillatus => Streptomyces griseocarneus Streptomyces albovinaceus (Kudrina 1957) Pridham et al. 1958 30:370 (AL) Streptomyces alboviridis (Duche 1934) Pridham et al. 1958 30:370 (AL) Streptomyces albulus Routien 1969 30:371 (AL) Streptomyces albus see: Streptomyces albus subsp. albus Streptomyces albus subsp. albus (Rossi Doria 1891) Waksman and Henrici 1943 30:371 (AL) Streptomyces albus subsp. pathocidicus Nagatsu et al. 1962 30:371 (AL) Streptomyces almquistii (Duche 1934) Pridham et al. 1958 30:371 (AL) Streptomyces althioticus Yamaguchi et al. 1957 30:371 (AL) Streptomyces amakusaensis Nagatsu et al. 1963 30:371 (AL) Streptomyces ambofaciens Pinnert-Sindico 1954 30:371 (AL) Streptomyces aminophilus => Streptomyces cacaoi subsp. cacaoi Streptomyces anandii Batra and Bajaj 1965 30:371 (AL) Streptomyces anthocyanicus (Krassilnikov et al. 1965) Pridham 1970 30:371 (AL) Streptomyces antibioticus (Waksman and Woodruff 1941) Waksman and Henrici 1948 30:372 (AL) Streptomyces antimycoticus Waksman 1957 30:372 (AL) Streptomyces anulatus (Beijerinck 1912) Waksman 1953 emend. Lanoot et al. 2005 30:372 (AL) Streptomyces arabicus => Streptomyces vinaceus Streptomyces ardus (De Boer et al. 1961) Witt and Stackebrandt 1991 46:836 Streptomyces arenae Pridham et al. 1958 30:372 (AL) Streptomyces argenteolus => Streptomyces griseus Streptomyces armeniacus (Kalakoutskii and Kuznetsov 1964) Wellington and Williams 1981 31:80* Streptomyces asiaticus Sembiring et al. 2001 51:1619 Streptomyces asterosporus (ex Krasil'nikov 1970) Preobrazhenskaya 1986 36:573 Streptomyces atratus Shibata et al. 1962 30:372 (AL) Streptomyces atroaurantiacus Nakagaito et al. 1993 43:624 Streptomyces atroolivaceus (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:372 (AL) Streptomyces atrovirens (ex Preobrazhenskaya et al. 1971) Preobrazhenskaya and Terekhova 1986 36:573 Streptomyces aurantiacus (Rossi Doria 1891) Waksman 1953 emend. Lanoot et al. 2002 30:372 (AL) Streptomyces aurantiogriseus (Preobrazhenskaya 1957) Pridham et al. 1958 30:372 (AL) Streptomyces aureocirculatus (Krassilnikov and Yuan 1965) Pridham 1970 30:373 (AL) Streptomyces aureofaciens Duggar 1948 emend. Groth et al. 2003 30:373 (AL) Streptomyces aureorectus (ex Taig et al. 1969) Taig and Solovieva 1986 36:573 Streptomyces aureoversilis => Streptomyces hiroshimensis Streptomyces aureoverticillatus (Krassilnikov and Yuan 1960) Pridham 1970 30:373 (AL) Streptomyces aureus Manfio et al. 2003 53:1219 Streptomyces avellaneus Baldacci and Grein 1966 30:373 (AL) Streptomyces avermectinius = Streptomyces avermitilis Streptomyces avermitilis (ex Burg et al. 1979) Kim and Goodfellow 2002 52:2013* Streptomyces avidinii Stapley et al. 1964 30:373 (AL) Streptomyces azaticus -> Kitasatospora azatica Streptomyces azureus Kelly et al. 1959 30:373 (AL) Streptomyces baarnensis Pridham et al. 1958 30:373 (AL) Streptomyces bacillaris (Krassilnikov 1958) Pridham 1970 30:373 (AL) Streptomyces badius (Kudrina 1957) Pridham et al. 1958 30:373 (AL) Streptomyces baldaccii => Streptomyces hiroshimensis Streptomyces bambergiensis Wallh„usser et al. 1966 30:373 (AL) Streptomyces bangladeshensis Al-Bari et al. 2005 55:1977* Streptomyces beijiangensis Li et al. 2002 52:1698* Streptomyces bellus Margalith and Beretta 1960 30:373 (AL) Streptomyces bikiniensis Johnstone and Waksman 1947 30:374 (AL) Streptomyces biverticillatus => Streptomyces hiroshimensis Streptomyces blastmyceticus (Watanabe et al. 1957) Witt and Stackebrandt 1991 41:456 Streptomyces bluensis Mason et al. 1963 30:374 (AL) Streptomyces bobili (Waksman and Curtis 1916) Waksman and Henrici 1948 30:374 (AL) Streptomyces bottropensis Waksman 1961 30:374 (AL) Streptomyces brasiliensis (Falcao de Morais et al. 1966) Goodfellow et al. 1986 36:573 Streptomyces bungoensis Eguchi et al. 1993 43:797* Streptomyces cacaoi see: Streptomyces cacaoi subsp. cacaoi Streptomyces cacaoi subsp. asoensis Isono et al. 1965 30:374 (AL) Streptomyces cacaoi subsp. cacaoi (Waksman 1932) Waksman and Henrici 1948 emend. Lanoot et al. 2002 30:374 (AL) Streptomyces caelestis De Boer et al. 1955 30:374 (AL) Streptomyces caeruleus (Baldacci 1944) Pridham et al. 1958 emend. Lanoot et al. 2002 30:374 (AL) Streptomyces californicus (Waksman and Curtis 1916) Waksman and Henrici 1948 30:374 (AL) Streptomyces calvus Backus et al. 1957 30:375 (AL) Streptomyces canarius Vavra and Dietz 1965 30:375 (AL) Streptomyces candidus (ex Krasil'nikov 1941) Sveshnikova 1986 36:574 Streptomyces canescens Waksman 1957 30:375 (AL) Streptomyces cangkringensis Sembiring et al. 2001 51:1619 Streptomyces caniferus (ex Krasil'nikov 1970) Preobrazhenskaya 1986 36:574 Streptomyces canus Heinemann et al. 1953 30:375 (AL) Streptomyces capillispiralis Mertz and Higgins 1982 32:123* Streptomyces capoamus Goncalves de Lima et al. 1964 30:375 (AL) Streptomyces carpaticus Maksimova and Terekhova 1986 36:574 Streptomyces carpinensis (Falcao de Morais et al. 1971) Goodfellow et al. 1986 36:574 Streptomyces catenulae Davisson and Finlay 1961 30:375 (AL) Streptomyces caviscabies => Streptomyces griseus Streptomyces cavourensis see: Streptomyces cavourensis subsp. cavourensis Streptomyces cavourensis subsp. cavourensis Skarbek and Brady 1978 30:375 (AL) Streptomyces cavourensis subsp. washingtonensis Skarbek and Brady 1978 30:375 (AL) Streptomyces cellostaticus Hamada 1958 30:375 (AL) Streptomyces celluloflavus Nishimura et al. 1953 30:375 (AL) Streptomyces cellulolyticus Li 1997 47:444* Streptomyces cellulosae (Krainsky 1914) Waksman and Henrici 1948 30:375 (AL) Streptomyces champavatii Uma and Narasimha Rao 1959 30:376 (AL) Streptomyces chartreusis Leach et al. 1953 30:376 (AL) Streptomyces chattanoogensis Burns and Holtman 1959 30:376 (AL) Streptomyces cheonanensis Kim et al. 2006 56:475* Streptomyces chibaensis => Streptomyces corchorusii Streptomyces chrestomyceticus Canevazzi and Scotti 1959 30:376 (AL) Streptomyces chromofuscus (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:376 (AL) Streptomyces chryseus (Krassilnikov et al. 1965) Pridham 1970 30:376 (AL) Streptomyces chrysomallus see: Streptomyces chrysomallus subsp. chrysomallus Streptomyces chrysomallus subsp. chrysomallus => Streptomyces anulatus Streptomyces chrysomallus subsp. fumigatus Frommer 1959 30:376 (AL) Streptomyces cinereorectus Terekhova and Preobrazhenskaya 1986 emned. Lanoot et al. 2004 36:574 Streptomyces cinereoruber see: Streptomyces cinereoruber subsp. cinereoruber Streptomyces cinereoruber subsp. cinereoruber Corbaz et al. 1957 30:376 (AL) Streptomyces cinereoruber subsp. fructofermentans Corbaz et al. 1957 30:377 (AL) Streptomyces cinereospinus Terekhova et al. 1986 (complete authorship reads Terekhova, Preobrazhenskaya and Gause 1986) 36:574 Streptomyces cinereus (Cross et al. 1963) Goodfellow et al. 1986 36:574 Streptomyces cinerochromogenes Miyairi et al. 1966 30:377 (AL) Streptomyces cinnabarinus (Ryabova and Preobrazhenskaya 1957) Pridham et al. 1958 30:377 (AL) Streptomyces cinnamonensis Okami 1952 30:377 (AL) Streptomyces cinnamoneus (Benedict et al. 1952) Witt and Stackebrandt 1991 41:456 Streptomyces cinnamoneus subsp. albosporus (Thirumalachar 1968) Witt and Stackebrandt 41:456 Streptomyces cinnamoneus subsp. cinnamoneus (Benedict et al. 1952) Witt and Stackebrandt 1991 41:456 Streptomyces cinnamoneus subsp. lanosus (Thirumalachar 1968) Witt and Stackebrandt 1991 41:456 Streptomyces cinnamoneus subsp. sparsus (Thirumalachar 1968) Witt and Stackebrandt 1991 41:456 Streptomyces cirratus Koshiyama et al. 1963 30:377 (AL) Streptomyces ciscaucasicus Sveshnikova 1986 36:574 Streptomyces citreofluorescens => Streptomyces anulatus Streptomyces clavifer (Millard and Burr 1926) Waksman 1953 30:377 (AL) Streptomyces clavuligerus Higgens and Kastner 1971 30:377 (AL) Streptomyces cochleatus -> Kitasatospora cochleata Streptomyces coelescens (Krassilnikov et al. 1965) Pridham 1970 30:377 (AL) Streptomyces coelicoflavus Terekhova 1986 36:574 Streptomyces coelicolor (Mller 1908) Waksman and Henrici 1948 30:378 (AL) Streptomyces coeruleoflavus (ex Ryabova and Preobrazhenskaya) Preobrazhenskaya and Maximova 1986 36:574 Streptomyces coeruleofuscus (Preobrazhenskaya 1957) Pridham et al. 1958 30:378 (AL) Streptomyces coeruleoprunus Preobrazhenskaya 1986 36:574 Streptomyces coeruleorubidus (Preobrazhenskaya 1957) Pridham et al. 1958 30:378 (AL) Streptomyces coerulescens (Preobrazhenskaya 1957) Pridham et al. 1958 30:378 (AL) Streptomyces collinus Lindenbein 1952 30:378 (AL) Streptomyces colombiensis => Streptomyces lavendulae subsp. lavendulae Streptomyces corchorusii Ahmad and Bhuiyan 1958 emend. Lanoot et al. 2005 30:378 (AL) Streptomyces costaricanus Esnard et al. 1995 45:777* Streptomyces cremeus (Kudrina 1957) Pridham et al. 1958 30:378 (AL) Streptomyces crystallinus Tresner et al. 1961 30:378 (AL) Streptomyces curacoi Cataldi 1963 30:379 (AL) Streptomyces cuspidosporus Higashide et al. 1966 30:379 (AL) Streptomyces cyaneofuscatus (Kudrina 1957) Pridham et al. 1958 30:379 (AL) Streptomyces cyaneus (Krassilnikov 1941) Waksman 1953 30:379 (AL) Streptomyces cyanoalbus (Krassilnikov and Agre 1960) Pridham 1970 30:379 (AL) Streptomyces cystargineus = Kitasatospora cystarginea Streptomyces daghestanicus (Sveshnikova 1957) Pridham et al. 1958 30:379 (AL) Streptomyces diastaticus see: Streptomyces diastaticus subsp. diastaticus Streptomyces diastaticus subsp. ardesiacus (Baldacci et al. 1955) Pridham et al. 1958 30:379 (AL) Streptomyces diastaticus subsp. diastaticus (Krainsky 1914) Waksman and Henrici 1948 30:379 (AL) Streptomyces diastatochromogenes (Krainsky 1914) Waksman and Henrici 1948 30:380 (AL) Streptomyces distallicus => Streptomyces colombiensis Streptomyces djakartensis Huber et al. 1962 30:380 (AL) Streptomyces drozdowiczii Semˆdo et al. 2004 54:1327* Streptomyces durhamensis Gordon and Lapa 1966 30:380 (AL) Streptomyces echinatus Corbaz et al. 1957 30:380 (AL) Streptomyces echinoruber Palleroni et al. 1981 31:382 Streptomyces ederensis Wallh„usser et al. 1966 30:380 (AL) Streptomyces ehimensis => Streptomyces abikoensis Streptomyces endus Anderson and Gottlieb 1952 30:380 (AL) Streptomyces enissocaesilis (ex Krasil'nikov 1970) Sveshnikova 1986 36:574 Streptomyces erumpens Calot and Cercos 1963 30:380 (AL) Streptomyces erythraeus -> Saccharopolyspora erythraea Streptomyces erythrogriseus Falcao de Morais and Dalia Maia 1959 30:380 (AL) Streptomyces eurocidicus (Okami et al. 1954) Witt and Stackebrandt 1991 41:456 Streptomyces europaeiscabiei Bouchek-Mechiche et al. 2000 50:97* Streptomyces eurythermus Corbaz et al. 1957 30:380 (AL) Streptomyces exfoliatus (Waksman and Curtis 1916) Waksman and Henrici 1948 30:380 (AL) Streptomyces felleus Lindenbein 1952 30:381 (AL) Streptomyces ferralitis Saintpierre-Bonaccio et al. 2004 54:2063* Streptomyces fervens => Streptomyces hiroshimensis "Streptomyces fervens subsp. fervens" (not validly published) => Streptomyces hiroshimensis "Streptomyces fervens subsp. melrosporus" (not validly published) => Streptomyces hiroshimensis Streptomyces filamentosus Okami and Umezawa 1953 emend. Lanoot et al. 2004 30:381 (AL) Streptomyces filipinensis Ammann et al. 1955 30:381 (AL) Streptomyces fimbriatus (Millard and Burr 1926) Waksman and Lechevalier 1953 30:381 (AL) Streptomyces fimicarius (Duche 1934) Waksman and Henrici 1948 30:381 (AL) Streptomyces finlayi (Szabo et al. 1963) Pridham 1970 30:381 (AL) Streptomyces flaveolus (Waksman 1923) Waksman and Henrici 1948 30:381 (AL) Streptomyces flaveus (Cross et al. 1963) Goodfellow et al. 1986 36:574 Streptomyces flavidofuscus Preobrazhenskaya 1986 36:574 Streptomyces flavidovirens (Kudrina 1957) Pridham et al. 1958 30:381 (AL) Streptomyces flaviscleroticus => Streptomyces minutiscleroticus Streptomyces flavofungini (ex Uri and Bekesi) Szab¢ and Preobrazhenskaya 1986 36:574 Streptomyces flavofuscus (Kudrina 1957) Preobrazhenskaya 1986 36:574 Streptomyces flavogriseus (Duche 1934) Waksman and Lechevalier 1953 30:381 (AL) Streptomyces flavopersicus => Streptomyces netropsis Streptomyces flavotricini (Preobrazhenskaya and Sveshnikova 1957) Pridham et al. 1958 30:382 (AL) Streptomyces flavovariabilis (ex Korenyako and Nikitina) Sveshnikova 1986 36:574 Streptomyces flavovirens (Waksman 1923) Waksman and Henrici 1948 emend. Lanoot et al. 2005 30:382 (AL) Streptomyces flavoviridis (ex Preobrazhenskaya et al.) Preobrazhenskaya 1986 36:574 Streptomyces flocculus (Duche 1934) Waksman and Henrici 1948 30:382 (AL) Streptomyces floridae Bartz et al. 1951 30:382 (AL) Streptomyces fluorescens => Streptomyces anulatus Streptomyces fradiae (Waksman and Curtis 1916) Waksman and Henrici 1948 emend. Lanoot et al. 2004 30:382 (AL) Streptomyces fragilis Anderson et al. 1956 30:382 (AL) Streptomyces fulvissimus (Jensen 1930) Waksman and Henrici 1948 30:382 (AL) Streptomyces fulvorobeus Vinogradova and Preobrazhenskaya 1986 36:574 Streptomyces fumanus (Sveshnikova 1957) Pridham et al. 1958 30:383 (AL) Streptomyces fumigatiscleroticus (ex Pridham 1970) Goodfellow et al. 1986 36:574 Streptomyces galbus Frommer 1959 30:383 (AL) Streptomyces galilaeus Ettlinger et al. 1958 30:383 (AL) Streptomyces gancidicus Suzuki 1957 30:383 (AL) Streptomyces gardneri (Waksman 1942) Waksman 1961 30:383 (AL) Streptomyces gelaticus (Waksman 1923) Waksman and Henrici 1948 30:383 (AL) Streptomyces geysiriensis Wallh„usser et al. 1966 30:383 (AL) Streptomyces ghanaensis Wallh„usser et al. 1966 30:383 (AL) Streptomyces gibsonii (Erikson 1935) Waksman and Henrici 1948 30:383 (AL) Streptomyces glaucescens (Preobrazhenskaya 1957) Pridham et al. 1958 30:383 (AL) Streptomyces glauciniger Huang et al. 2004 54:2088* Streptomyces glaucosporus (ex Krasil'nikov et al. 1968) Agre 1986 36:574 Streptomyces glaucus (ex Lehmann and Schutze 1912) Agre and Preobrazhenskaya 1986 36:574 Streptomyces globisporus see: Streptomyces globisporus subsp. globisporus Streptomyces globisporus subsp. caucasicus (Kudrina 1957) Pridham et al. 1958 30:384 (AL) Streptomyces globisporus subsp. flavofuscus -> Streptomyces flavofuscus Streptomyces globisporus subsp. globisporus (Krassilnikov 1941) Waksman 1953 30:384 (AL) Streptomyces globosus (Krassilnikov 1941) Waksman 1953 30:384 (AL) Streptomyces glomeratus (ex Gauze and Sveshnikova) Gause and Preobrazhenskaya 1986 36:574 Streptomyces glomeroaurantiacus (Krassilnikov and Yuan 1965) Pridham 1970 30:384 (AL) Streptomyces gobitricini (Preobrazhenskaya and Sveshnikova 1957) Pridham et al. 1958 30:384 (AL) Streptomyces goshikiensis Niida 1966 30:384 (AL) Streptomyces gougerotii (Duche 1934) Waksman and Henrici 1948 30:384 (AL) Streptomyces graminearus Preobrazhenskaya 1986 36:574 Streptomyces graminofaciens Charney et al. 1953 30:385 (AL) Streptomyces griseinus Waksman 1959 30:385 (AL) Streptomyces griseoaurantiacus (Krassilnikov and Yuan 1965) Pridham 1970 30:385 (AL) Streptomyces griseobrunneus Waksman 1961 30:385 (AL) Streptomyces griseocarneus (Benedict et al. 1950) Witt and Stackebrandt 1991 41:456 Streptomyces griseochromogenes Fukunaga 1955 30:385 (AL) Streptomyces griseoflavus (Krainsky 1914) Waksman and Henrici 1948 30:385 (AL) Streptomyces griseofuscus Sakamoto et al. 1962 30:385 (AL) Streptomyces griseoincarnatus (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:385 (AL) Streptomyces griseoloalbus (Kudrina 1957) Pridham et al. 1958 30:385 (AL) Streptomyces griseolosporeus = Kitasatospora griseola Streptomyces griseolus (Waksman 1923) Waksman and Henrici 1948 30:386 (AL) Streptomyces griseoluteus Umezawa et al. 1950 30:386 (AL) Streptomyces griseomycini (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:386 (AL) Streptomyces griseoplanus Backus et al. 1957 30:386 (AL) Streptomyces griseorubens (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:386 (AL) Streptomyces griseoruber Yamaguchi and Saburi 1955 30:386 (AL) Streptomyces griseorubiginosus (Ryabova and Preobrazhenskaya 1957) Pridham et al. 1958 30:386 (AL) Streptomyces griseosporeus Niida and Ogasawara 1960 30:386 (AL) Streptomyces griseostramineus (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:386 (AL) Streptomyces griseoverticillatus => Streptomyces cinnamoneus Streptomyces griseoviridis Anderson et al. 1956 30:387 (AL) Streptomyces griseus (Krainsky 1914) Waksman and Henrici 1948 emend. Liu et al. 2005 30:387 (AL) Streptomyces griseus subsp. alpha => Streptomyces microflavus Streptomyces griseus subsp. cretosus => Streptomyces microflavus Streptomyces griseus subsp. griseus (Krainsky 1914) Waksman and Henrici 1948 30:387 (AL) Streptomyces griseus subsp. solvifaciens Pridham 1970 30:387 (AL) Streptomyces guanduensis Xu et al. 2006 56:1113* Streptomyces hachijoensis => Streptomyces cinnamoneus Streptomyces halstedii (Waksman and Curtis 1916) Waksman and Henrici 1948 30:387 (AL) Streptomyces hawaiiensis Cron et al. 1956 30:387 (AL) Streptomyces hebeiensis Xu et al. 2004 54:730* Streptomyces heliomycini (ex Braznikova et al. 1958) Preobrazhenskaya 1986 36:574 Streptomyces helvaticus (Krassilnikov et al. 1965) Pridham 1970 30:387 (AL) Streptomyces herbaricolor Kawato and Shinobu 1959 30:388 (AL) Streptomyces hiroshimensis (Shinobu 1955) Witt and Stackebrandt 1991 41:456 Streptomyces hirsutus Ettlinger et al. 1958 30:388 (AL) Streptomyces humidus Nakazawa and Shibata 1956 30:388 (AL) Streptomyces humiferus Goodfellow et al. 1986 36:574 Streptomyces hydrogenans Lindner et al. 1958 30:388 (AL) Streptomyces hygroscopicus see: Streptomyces hygroscopicus subsp. hygroscopicus Streptomyces hygroscopicus subsp. angustmyceticus Yuntsen et al. 1956 30:388 (AL) Streptomyces hygroscopicus subsp. decoyicus Vavra et al. 1959 30:388 (AL) Streptomyces hygroscopicus subsp. glebosus Ohmori et al. 1962 30:388 (AL) Streptomyces hygroscopicus subsp. hygroscopicus (Jensen 1931) Waksman and Henrici 1948 30:388 (AL) Streptomyces hygroscopicus subsp. ossamyceticus Schmitz et al. 1965 30:388 (AL) Streptomyces iakyrus deQuerioz and Albert 1962 30:388 (AL) Streptomyces indiaensis (Gupta 1965) Kudo and Seino 1987 37:241* Streptomyces indigoferus Shinobu and Kawato 1960 30:389 (AL) Streptomyces indonesiensis Sembiring et al. 2001 51:1619 Streptomyces intermedius (Krger 1904) Waksman 1953 30:389 (AL) Streptomyces inusitatus Hasegawa et al. 1978 30:389 (AL) Streptomyces ipomoeae (Person and Martin 1940) Waksman and Henrici 1948 30:389 (AL) Streptomyces janthinus (Artamonova and Krassilnikov 1960) Pridham 1970 30:389 (AL) Streptomyces javensis Sembiring et al. 2001 51:1619 Streptomyces jietaisiensis He et al. 2005 55:1943* Streptomyces kanamyceticus Okami and Umezawa 1957 30:389 (AL) Streptomyces kashimirensis => Streptomyces lilacinus Streptomyces kashmirensis see: Streptomyces kashimirensis Streptomyces kasugaensis Hamada et al. 1995 45:880 Streptomyces katrae Gupta and Chopra 1963 30:389 (AL) Streptomyces kentuckensis => Streptomyces netropsis Streptomyces kifunensis -> Kitasatospora kifunensis Streptomyces kishiwadensis => Streptomyces mashuensis Streptomyces koyangensis Lee et al. 2005 55:251* Streptomyces kunmingensis (Ruan et al. 1985) Goodfellow et al. 1986 36:574 Streptomyces kurssanovii (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:389 (AL) Streptomyces labedae Lacey 1987 37:458* Streptomyces laceyi Manfio et al. 2003 53:1219 Streptomyces ladakanum => Streptomyces mobaraensis Streptomyces lanatus Frommer 1959 30:389 (AL) Streptomyces lateritius (Sveshnikova 1957) Pridham et al. 1958 30:389 (AL) Streptomyces laurentii Trejo et al. 1979 30:390 (AL) Streptomyces lavendofoliae (Kuchaeva et al. 1961) Pridham 1970 30:390 (AL) Streptomyces lavendulae see: Streptomyces lavendulae subsp. lavendulae Streptomyces lavendulae subsp. grasserius (Kuchaeva et al. 1961) Pridham 1970 30:390 (AL) Streptomyces lavendulae subsp. lavendulae (Waksman and Curtis 1916) Waksman and Henrici 1948 30:390 (AL) Streptomyces lavenduligriseus (Locci et al. 1969) Witt and Stackebrandt 1991 41:456 Streptomyces lavendulocolor (Kuchaeva et al. 1961) Pridham 1970 30:390 (AL) Streptomyces levis Sveshnikova 1986 36:574 Streptomyces libani see: Streptomyces libani subsp. libani Streptomyces libani subsp. libani Baldacci and Grein 1966 30:390 (AL) Streptomyces libani subsp. rufus Baldacci and Grein 1966 30:390 (AL) Streptomyces lienomycini Gause and Maksimova 1986 36:574 Streptomyces lilacinus (Nakazawa et al. 1956) Witt and Stackebrandt 1991 41:456 Streptomyces limosus Lindenbein 1952 30:391 (AL) Streptomyces lincolnensis Mason et al. 1963 30:391 (AL) Streptomyces lipmanii => Streptomyces microflavus Streptomyces litmocidini (Ryabova and Preobrazhenskaya 1957) Pridham et al. 1958 30:391 (AL) Streptomyces lomondensis Johnson and Dietz 1969 30:391 (AL) Streptomyces longisporoflavus Waksman 1953 30:391 (AL) Streptomyces longispororuber Waksman 1953 30:391 (AL) Streptomyces longisporus (Krassilnikov 1941) Waksman 1953 30:391 (AL) Streptomyces longwoodensis Prosser and Palleroni 1981 31:382 Streptomyces lucensis Arcamone et al. 1957 30:391 (AL) Streptomyces luridiscabiei Park et al. 2003 53:2053* Streptomyces luridus (Krassilnikov et al. 1957) Waksman 1961 30:391 (AL) Streptomyces lusitanus Villax 1963 30:392 (AL) Streptomyces luteireticuli (ex Katoh and Arai 1957) Hatano et al. 2003 (corrig.) 53:1528* Streptomyces luteogriseus Schmitz et al. 1964 30:392 (AL) Streptomyces luteosporeus Witt and Stackebrandt 1991 41:456 Streptomyces luteoverticillatus => Streptomyces abikoensis Streptomyces lydicus De Boer et al. 1956 30:392 (AL) Streptomyces macrosporus (ex Krasil'nikov et al. 1968) Goodfellow et al. 1988 38:329 Streptomyces malachitofuscus (ex Preobrazhenskaya et al. 1964) Preobrazhenskaya and Terekhova 1986 36:574 Streptomyces malachitospinus (ex Preobrazhenskaya et al. 1957) Preobrazhenskaya and Terekhova 1986 36:575 Streptomyces malaysiensis Al-Tai et al. 1999 49:1400* Streptomyces mashuensis (Sawazaki et al. 1955) Witt and Stackebrandt 1991 41:456 Streptomyces massasporeus Shinobu and Kawato 1959 30:392 (AL) Streptomyces matensis Margalith et al. 1959 30:392 (AL) Streptomyces mauvecolor Okami and Umezawa 1961 30:392 (AL) Streptomyces mediocidicus = Kitasatospora mediocidica Streptomyces mediolani Arcamone et al. 1969 30:392 (AL) Streptomyces megasporus (ex Krasil'nikov et al. 1968) Agre 1986 36:575 Streptomyces melanogenes Sugawara and Onuma 1957 30:392 (AL) Streptomyces melanosporofaciens Arcamone et al. 1959 30:392 (AL) Streptomyces mexicanus Petrosyan et al. 2003 53:273* Streptomyces michiganensis Corbaz et al. 1957 30:392 (AL) Streptomyces microflavus (Krainsky 1914) Waksman and Henrici 1948 emend. Lanoot et al. 2005 30:392 (AL) Streptomyces minutiscleroticus (Thirumalachar 1965) Pridham 1970 emend. Lanoot et al. 2005 30:392 (AL) Streptomyces mirabilis Ruschmann 1952 30:393 (AL) Streptomyces misakiensis Nakamura 1961 30:393 (AL) Streptomyces misionensis Cercos et al. 1962 30:393 (AL) Streptomyces mobaraensis (Nagatsu and Suzuki 1963) Witt and Stackebrandt 1991 41:456 Streptomyces monomycini Gause and Terekhova 1986 36:575 Streptomyces morookaense (Locci and Schofield 1989) Witt and Stackebrandt 1991 41:456 Streptomyces morookaensis see: Streptomyces morookaense Streptomyces murinus Frommer 1959 30:393 (AL) Streptomyces mutabilis (Preobrazhenskaya and Ryabova 1957) Pridham et al. 1958 30:393 (AL) Streptomyces mutomycini Gauze and Maksimova 1986 36:575 Streptomyces naganishii Yamaguchi and Saburi 1955 30:393 (AL) Streptomyces narbonensis Corbaz et al. 1955 30:393 (AL) Streptomyces nashvillensis McVeigh and Reyes 1961 30:393 (AL) Streptomyces netropsis (Finlay et al. 1951) Witt and Stackebrandt 1991 41:456 Streptomyces neyagawaensis Yamamoto et al. 1960 30:393 (AL) Streptomyces niger (Thirumalachar 1955) Goodfellow et al. 1986 36:575 Streptomyces nigrescens (Sveshnikova 1957) Pridham et al. 1958 30:393 (AL) Streptomyces nigrifaciens => Streptomyces flavovirens Streptomyces nitrificans Pseudonocardia nitrificans Streptomyces nitrosporeus Okami 1952 30:394 (AL) Streptomyces niveiscabiei Park et al. 2003 53:2053* Streptomyces niveoruber Ettlinger et al. 1958 30:394 (AL) Streptomyces niveus => Streptomyces caeruleus Streptomyces noboritoensis Isono et al. 1957 30:394 (AL) Streptomyces nodosus Trejo 1961 30:394 (AL) Streptomyces nogalater Bhuyan and Dietz 1966 30:394 (AL) Streptomyces nojiriensis Ishida et al. 1967 30:394 (AL) Streptomyces noursei Brown et al. 1953 30:394 (AL) Streptomyces novaecaesareae Waksman and Henrici 1948 30:394 (AL) Streptomyces ochraceiscleroticus Pridham 1970 30:394 (AL) Streptomyces odorifer (Rullmann 1895) Waksman 1953 30:394 (AL) Streptomyces olivaceiscleroticus Pridham 1970 30:394 (AL) Streptomyces olivaceoviridis (Preobrazhenskaya and Ryabova 1957) Pridham et al. 1958 30:395 (AL) Streptomyces olivaceus (Waksman 1923) Waksman and Henrici 1948 30:395 (AL) Streptomyces olivochromogenes (Waksman 1923) Waksman and Henrici 1948 30:395 (AL) Streptomyces olivomycini (Gauze and Sheshnikova 1986) Witt and Stackebrandt 1991 46:836 Streptomyces olivoreticuli => Streptomyces abikoensis Streptomyces olivoreticuli subsp. cellulophilus (Locci and Schofield 1989) Witt and Stackebrandt 1991 41:456 Streptomyces olivoreticuli subsp. olivoreticuli (Arai et al. 1957) Witt and Stackebrandt 1991 41:456 Streptomyces olivoverticillatus (Shinobu 1956) Witt and Stackebrandt 1991 41:456 Streptomyces olivoviridis (Kuchaeva et al. 1960) Pridham 1970 30:395 (AL) Streptomyces omiyaensis Umezawa and Okami 1950 30:395 (AL) Streptomyces orinoci (Cassinelli et al. 1967) Witt and Stackebrandt 1991 41:456 Streptomyces pactum Bhuyan et al. 1962 30:395 (AL) Streptomyces paracochleatus -> Kitasatospora paracochleata Streptomyces paradoxus Goodfellow et al. 1986 36:575 Streptomyces parvisporogenes => Streptomyces abikoensis Streptomyces parvulus Waksman and Gregory 1954 30:395 (AL) Streptomyces parvus (Krainsky 1914) Waksman and Henrici 1948 30:395 (AL) Streptomyces paucisporeus Xu et al. 2006 56:1113* Streptomyces peucetius Grein et al. 1963 30:396 (AL) Streptomyces phaeochromogenes (Conn 1917) Waksman 1957 30:396 (AL) Streptomyces phaeofaciens Maeda et al. 1952 30:396 (AL) Streptomyces phaeopurpureus Shinobu 1957 emend. Lanoot et al. 2004 30:396 (AL) Streptomyces phaeoviridis => Streptomyces phaeopurpureus Streptomyces pharetrae le Roes and Meyers 2005 55:2236 Streptomyces phosalacineus = Kitasatospora phosalacinea Streptomyces pilosus Ettlinger et al. 1958 30:396 (AL) Streptomyces platensis Tresner and Backus 1956 30:396 (AL) Streptomyces plicatus Pridham et al. 1958 30:396 (AL) Streptomyces pluricolorescens Okami and Umezawa 1961 30:396 (AL) Streptomyces polychromogenes Hageman et al. 1964 30:396 (AL) Streptomyces poonensis (Thirumalachar 1960) Pridham 1970 30:396 (AL) Streptomyces praecox (Millard and Burr 1926) Waksman 1953 30:396 (AL) Streptomyces prasinopilosus Ettlinger et al. 1958 30:397 (AL) Streptomyces prasinosporus Tresner et al. 1966 30:397 (AL) Streptomyces prasinus Ettlinger et al. 1958 30:397 (AL) Streptomyces prunicolor (Ryabova and Preobrazhenskaya 1957) Pridham et al. 1958 30:387 (AL) Streptomyces psammoticus Virgilio and Hengeller 1960 30:397 (AL) Streptomyces pseudoechinosporeus Goodfellow et al. 1986 35:575 Streptomyces pseudogriseolus Okami and Umezawa 1955 30:397 (AL) Streptomyces pseudovenezuelae (Kuchaeva et al. 1961) Pridham 1970 30:396 (AL) Streptomyces pulveraceus Shibata et al. 1961 30:397 (AL) Streptomyces puniceus Patelski 1951 30:397 (AL) Streptomyces puniciscabiei Park et al. 2003 53:2053* Streptomyces purpeofuscus Yamaguchi and Saburi 1955 30:397 (AL) Streptomyces purpurascens Lindenbein 1952 30:397 (AL) Streptomyces purpureus (Matsumae and Hata 1968) Goodfellow et al. 1986 36:575 Streptomyces purpurogeneiscleroticus Pridham 1970 30:398 (AL) Streptomyces racemochromogenes Sugai 1956 30:398 (AL) Streptomyces rameus Shibata 1959 30:398 (AL) Streptomyces ramulosus Ettlinger et al. 1958 30:398 (AL) Streptomyces rangoonensis (Erikson 1935) Pridham et al. 1958 (corrig.) 30:398 (AL) Streptomyces recifensis (Goncalves de Lima et al. 1955) Falcao de Morais et al. 1957 30:398 (AL) Streptomyces rectiverticillatus => Streptomyces hiroshimensis Streptomyces rectiviolaceus (ex Artamonova) Sveshnikova 1986 36:575 Streptomyces regensis Gupta et al. 1963 30:398 (AL) Streptomyces resistomycificus Lindenbein 1952 30:398 (AL) Streptomyces reticuliscabiei Bouchek-Mechiche et al. 2000 50:98* Streptomyces rhizosphaericus Sembiring et al. 2001 (corrig.) 51:1619 Streptomyces rhizosphaerius see: Streptomyces rhizosphaericus Streptomyces rimosus see: Streptomyces rimosus subsp. rimosus Streptomyces rimosus subsp. paromomycinus Coffey et al. 1959 30:398 (AL) Streptomyces rimosus subsp. rimosus Sobin et al. 1953 30:398 (AL) Streptomyces rishiriensis Kawaguchi et al. 1965 30:399 (AL) Streptomyces rochei Berger et al. 1953 30:399 (AL) Streptomyces roseiscleroticus Pridham 1970 30:399 (AL) Streptomyces roseodiastaticus => Streptomyces tricolor Streptomyces roseoflavus => Streptomyces fradiae Streptomyces roseofulvus (Preobrazhenskaya 1957) Pridham et al. 1958 30:399 (AL) Streptomyces roseolilacinus (Preobrazhenskaya and Sveshnikova 1957) Pridham et al. 1958 30:399 (AL) Streptomyces roseolus (Preobrazhenskaya and Sveshnikova 1957) Pridham et al. 1958 30:399 (AL) Streptomyces roseosporus => Streptomyces filamentosus Streptomyces roseoverticillatus => Streptomyces hiroshimensis Streptomyces roseoviolaceus (Sveshnikova 1957) Pridham et al. 1958 30:400 (AL) Streptomyces roseoviridis (Preobrazhenskaya 1957) Pridham et al. 1958 30:400 (AL) Streptomyces ruber (Thirumalachar 1955) Goodfellow et al. 1986 36:575 Streptomyces rubidus Xu et al. 2006 56:1113* Streptomyces rubiginosohelvolus (Kudrina 1957) Pridham et al. 1958 30:400 (AL) Streptomyces rubiginosus (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:400 (AL) Streptomyces rubrogriseus (ex Kurylowicz et al.) Terekhova 1986 36:575 Streptomyces rutgersensis see: Streptomyces rutgersensis subsp. rutgersensis Streptomyces rutgersensis subsp. castelarensis Cercos 1954 30:400 (AL) Streptomyces rutgersensis subsp. rutgersensis (Waksman and Curtis 1916) Waksman and Henrici 1948 30:400 (AL) Streptomyces salmonis => Streptomyces hiroshimensis Streptomyces sampsonii (Millard and Burr 1926) Waksman 1953 30:400 (AL) Streptomyces sanglieri Manfio et al. 2003 53:1219 Streptomyces sannanensis Iwasaki et al. 1981 31:283* Streptomyces sapporonensis => Streptomyces cinnamoneus Streptomyces scabiei (ex Thaxter 1891) Lambert and Loria 1989 (corrig.) 39:387* Streptomyces scabrisporus Xu et al. 2004 54:580* Streptomyces sclerotialus Pridham 1970 30:401 (AL) Streptomyces scopiformis Li et al.2002 52:1632* Streptomyces seoulensis Chun et al. 1997 47:495* Streptomyces septatus => Streptomyces griseocarneus Streptomyces setae = Kitasatospora setae Streptomyces setonii => Streptomyces griseus Streptomyces showdoensis Nishimura et al. 1964 30:401 (AL) Streptomyces sindenensis Nakazawa and Fujii 1957 30:401 (AL) Streptomyces sioyaensis Nishimura et al. 1961 30:401 (AL) Streptomyces sodiiphilus Li et al. 2005 55:1332* Streptomyces somaliensis (Brumpt 1906) Waksman and Henrici 1948 30:401 (AL) Streptomyces sparsogenes Owen et al. 1963 30:401 (AL) Streptomyces spectabilis Mason et al. 1961 30:401 (AL) Streptomyces speibonae Meyers et al. 2003 53:804* Streptomyces speleomycini Preobrazhenskaya and Szabo 1986 36:575 Streptomyces spheroides => Streptomyces caeruleus Streptomyces spinoverrucosus Diab and Al-Gounaim 1982 32:331* Streptomyces spiralis (Falcao de Morais 1970) Goodfellow et al. 1986 36:575 Streptomyces spiroverticillatus Shinobu 1958 30:401 (AL) Streptomyces spitsbergensis => Streptomyces hiroshimensis Streptomyces sporocinereus (ex Krasil'nikov 1970) Preobrazhenskaya 1986 36:575 Streptomyces sporoclivatus (ex Krasil'nikov 1970) Preobrazhenskaya 1986 36:575 Streptomyces spororaveus (ex Krasil'nikov 1970) Preobrazhenskaya 1986 36:575 Streptomyces sporoverrucosus (ex Krasil'nikov 1970) Preobrazhenskaya 1986 36:575 Streptomyces stelliscabiei Bouchek-Mechiche et al. 2000 50:98* Streptomyces stramineus Labeda et al. 1997 47:752* Streptomyces subrutilus Arai et al. 1964 30:401 (AL) Streptomyces sulfonofaciens Miyadoh et al. 1983 33:323* Streptomyces sulphureus (Gasperini 1894) Waksman 1953 30:401 (AL) Streptomyces syringium => Streptomyces netropsis Streptomyces tanashiensis Hata et al. 1952 30:402 (AL) Streptomyces tauricus (ex Ivanitskaya et al. 1966) Sveshnikova 1986 36:575 Streptomyces tendae Ettlinger et al. 1958 30:402 (AL) Streptomyces termitum Duche et al. 1951 30:402 (AL) Streptomyces thermoalcalitolerans Kim et al. 1999 49:15* Streptomyces thermoautotrophicus Gadkari et al. 1991 41:456 Streptomyces thermocarboxydovorans Kim et al. 1998 48:65* Streptomyces thermocarboxydus Kim et al. 1998 48:66* Streptomyces thermocoprophilus Kim et al. 2000 50:506* Streptomyces thermodiastaticus (Bergey et al. 1923) Waksman 1953 30:402 (AL) Streptomyces thermogriseus Xu et al. 1998 48:1093* Streptomyces thermolineatus Goodfellow et al. 1988 38:329 Streptomyces thermonitrificans => Streptomyces thermovulgaris Streptomyces thermospinosisporus Kim and Goodfellow 2002 52:1227* Streptomyces thermoviolaceus see: Streptomyces thermoviolaceus subsp. thermoviolaceus Streptomyces thermoviolaceus subsp. apingens Henssen 1957 30:402 (AL) Streptomyces thermoviolaceus subsp. thermoviolaceus Henssen 1957 30:402 (AL) Streptomyces thermovulgaris Henssen 1957 30:402 (AL) Streptomyces thioluteus (Okami 1952) Witt and Stackebrandt 1991 41:457 Streptomyces torulosus Lyons and Pridham 1971 30:402 (AL) Streptomyces toxytricini (Preobrazhenskaya and Sveshnikova 1957) Pridham et al. 1958 30:402 (AL) Streptomyces tricolor (Wollenweber 1920) Waksman 1961 emend. Lanoot et al. 2004 30:402 (AL) Streptomyces tubercidicus Nakamura 1961 30:403 (AL) Streptomyces tuirus Albert and Malaquias de Querioz 1963 30:403 (AL) Streptomyces turgidiscabies Miyajima et al. 1998 48:500* Streptomyces umbrinus (Sveshnikova 1957) Pridham et al. 1958 30:403 (AL) Streptomyces variabilis (Preobrazhenskaya et al. 1957) Pridham et al. 1958 30:403 (AL) Streptomyces variegatus Sveshnikova and Timuk 1986 36:575 Streptomyces varsoviensis Kurylowicz and Woznicka 1967 30:403 (AL) Streptomyces vastus Szabo and Marton 1958 30:403 (AL) Streptomyces venezuelae Ehrlich et al. 1948 30:403 (AL) Streptomyces vinaceus Jones 1952 emend. Lanoot et al. 2004 30:403 (AL) Streptomyces vinaceusdrappus Pridham et al. 1958 30:403 (AL) Streptomyces violaceochromogenes (Ryabova and Preobrazhenskaya 1957) Pridham 1970 30:403 (AL) Streptomyces violaceolatus (Krassilnikov et al. 1965) Pridham 1970 30:404 (AL) Streptomyces violaceorectus (Ryabova and Preobrazhenskaya 1957) Pridham et al. 1958 30:404 (AL) Streptomyces violaceoruber (Waksman and Curtis 1916) Pridham 1970 30:404 (AL) Streptomyces violaceorubidus Terekhova 1986 36:575 Streptomyces violaceus (Rossi Doria 1891) Waksman 1953 emend. Lanoot et al. 2002 30:404 (AL) Streptomyces violaceusniger (Waksman and Curtis 1916) Pridham et al. 1958 30:404 (AL) Streptomyces violarus (Artamonova and Krassilnikov 1960) Pridham 1970 30:404 (AL) Streptomyces violascens (Preobrazhenskaya and Sveshnikova 1957) Pridham et al. 1958 30:404 (AL) Streptomyces violatus => Streptomyces violaceus Streptomyces violens (Kalakoutskii and Krassilnikov 1960) Goodfellow et al. 1987 37:179 Streptomyces virens Gauze and Sveshnikova 1986 36:575 Streptomyces virginiae Grundy et al. 1952 30:405 (AL) Streptomyces viridiflavus (corrig.) => Streptomyces olivoverticillatus Streptomyces viridiviolaceus (Ryabova and Preobrazhenskaya 1957) Pridham et al. 1958 30:405 (AL) Streptomyces viridobrunneus (ex Krasil'nikov 1970) Terekhova 1986 36:575 Streptomyces viridochromogenes (Krainsky 1914) Waksman and Henrici 1948 30:405 (AL) Streptomyces viridodiastaticus (Baldacci et al. 1955) Pridham et al. 1958 30:405 (AL) Streptomyces viridoflavum see: Streptomyces viridiflavus Streptomyces viridosporus Pridham et al. 1958 30:405 (AL) Streptomyces vitaminophileus see: Streptomyces vitaminophilus Streptomyces vitaminophilus (Shomura et al. 1983) Goodfellow et al. 1986 36:575 Streptomyces wedmorensis (ex Milard and Burr 1926) Preobrazhenskaya 1986 36:575 Streptomyces werraensis Wallh„usser et al. 1964 30:405 (AL) Streptomyces willmorei => Streptomyces microflavus Streptomyces xanthochromogenes Arishima et al. 1956 30:405 (AL) Streptomyces xanthocidicus Asahi et al. 1966 30:405 (AL) Streptomyces xantholiticus (Konev and Tsyganov 1962) Pridham 1970 30:406 (AL) Streptomyces xanthophaeus Lindenbein 1952 30:406 (AL) Streptomyces yanglinensis Xu et al. 2006 56:1114* Streptomyces yanii Liu et al. 2005 55:1609* Streptomyces yatensis Saintpierre et al. 2003 53:1219 Streptomyces yeochonensis Kim et al. 2004 54:213* Streptomyces yerevanensis Goodfellow et al. 1986 36:575 Streptomyces yogyakartensis Sembiring et al. 2001 51:1619 Streptomyces yokosukanensis Nakamura 1961 30:406 (AL) Streptomyces yunnanensis Zhang et al. 2003 53:220* Streptomyces zaomyceticus Hinuma 1954 30:406 (AL) STREPTOSPORANGIUM Couch 1955, emend. Stackebrandt et al. 1994 30:406 (AL) Streptosporangium albidum -> Kutzneria albida Streptosporangium album Nonomura and Ohara 1960 30:406 (AL) Streptosporangium amethystogenes see: Streptosporangium amethystogenes subsp. amethystogenes Streptosporangium amethystogenes subsp. amethystogenes Nonomura and Ohara 1960 30:406 (AL) Streptosporangium amethystogenes subsp. fukuiense Iinuma et al. 1996 46:1189 Streptosporangium carneum Mertz and Yao 1990 40:252* Streptosporangium claviforme Petrolini et al. 1993 43:864 Streptosporangium corrugatum -> Acrocarpospora corrugata Streptosporangium fragile Shearer et al. 1983 33:367* Streptosporangium indianense -> Streptomyces indiaensis Streptosporangium longisporum Sch„fer 1969 30:406 (AL) Streptosporangium nondiastaticum Nonomura and Ohara 1969 30:406 (AL) Streptosporangium pseudovulgare Nonomura and Ohara 1969 30:406 (AL) Streptosporangium purpuratum Zhang et al. 2005 55:723* Streptosporangium subroseum Zhang et al. 2002 52:1237* Streptosporangium viridialbum Nonomura and Ohara 1960 30:406 (AL) Streptosporangium viridogriseum -> Kutzneria viridogrisea Streptosporangium viridogriseum subsp. kofuense -> Kutzneria kofuensis Streptosporangium viridogriseum subsp. viridogriseum -> Kutzneria viridogrisea Streptosporangium vulgare Nonomura and Ohara 1960 30:407 (AL) Streptosporangium yunnanense Zhang et al. 2005 55:723* STREPTOVERTICILLIUM -> STREPTOMYCES Streptoverticillium abikoense -> Streptomyces abikoensis Streptoverticillium albireticuli -> Streptomyces albireticuli Streptoverticillium alboverticillatum -> Streptomyces alboverticillatus Streptoverticillium album -> Streptomyces luteosporeus Streptoverticillium ardum -> Streptomyces ardus Streptoverticillium aureoversale see: Streptomyces aureoversilis Streptoverticillium aureoversile -> Streptomyces aureoversilis Streptoverticillium baldaccii -> Streptomyces baldaccii Streptoverticillium biverticillatum -> Streptomyces biverticillatus Streptoverticillium blastmyceticum -> Streptomyces blastmyceticus Streptoverticillium cinnamoneum -> Streptomyces cinnamoneus subsp. albosporus Streptoverticillium cinnamoneum subsp. albosporum see: Streptomyces cinnamoneus subsp. albosporus Streptoverticillium cinnamoneum subsp. cinnamoneum see: Streptomyces cinnamoneus subsp. cinnamoneus Streptoverticillium cinnamoneum subsp. lanosum see: Streptomyces cinnamoneus subsp. lanosus Streptoverticillium cinnamoneum subsp. sparsum see: Streptomyces cinnamoneus subsp. sparsus Streptoverticillium distallicum -> Streptomyces distallicus Streptoverticillium ehimense -> Streptomyces ehimensis Streptoverticillium eurocidicum -> Streptomyces eurocidicus Streptoverticillium fervens -> Streptomyces fervens subsp. fervens Streptoverticillium fervens subsp. fervens -> Streptomyces fervens subsp. fervens Streptoverticillium fervens subsp. melrosporus -> Streptomyces fervens subsp. melrosporus Streptoverticillium flavopersicum -> Streptomyces flavopersicus Streptoverticillium griseocarneum -> Streptomyces griseocarneus Streptoverticillium griseoverticillatum -> Streptomyces griseoverticillatus Streptoverticillium hachijoense -> Streptomyces hachijoensis Streptoverticillium hiroshimense -> Streptomyces hiroshimensis Streptoverticillium kashmirense -> Streptomyces kashimirensis Streptoverticillium kentuckense -> Streptomyces kentuckensis Streptoverticillium kishiwadense -> Streptomyces kishiwadensis Streptoverticillium ladakanum -> Streptomyces ladakanum Streptoverticillium lavenduligriseum -> Streptomyces lavenduligriseus Streptoverticillium lilacinum -> Streptomyces lilacinus Streptoverticillium luteoverticillatum -> Streptomyces luteoverticillatus Streptoverticillium mashuense -> Streptomyces mashuensis Streptoverticillium mobaraense -> Streptomyces mobaraensis Streptoverticillium morookaense -> Streptomyces morookaense Streptoverticillium netropsis -> Streptomyces netropsis Streptoverticillium olivomycini -> Streptomyces olivomycini Streptoverticillium olivoreticuli -> Streptomyces olivoreticuli Streptoverticillium olivoreticuli subsp. cellulophilum -> Streptomyces olivoreticuli subsp. cellulophilus Streptoverticillium olivoreticuli subsp. olivoreticuli -> Streptomyces olivoreticuli subsp. olivoreticuli Streptoverticillium olivoreticulum see: Streptomyces olivoreticuli subsp. olivoreticuli Streptoverticillium olivoreticulum subsp. cellulophilum see: Streptomyces olivoreticuli subsp. cellulophilus Streptoverticillium olivoverticillatum -> Streptomyces olivoverticillatus Streptoverticillium orinoci -> Streptomyces orinoci Streptoverticillium parvisporogenes -> Streptomyces parvisporogenes Streptoverticillium parvisporogenum see: Streptomyces parvisporogenes Streptoverticillium rectiverticillatum -> Streptomyces rectiverticillatus "Streptoverticillium reticulum subsp. protomycicum" (not validly published) 39:496 Streptoverticillium roseoverticillatum -> Streptomyces roseoverticillatus Streptoverticillium salmonis -> Streptomyces salmonis Streptoverticillium sapporonense -> Streptomyces sapporonensis Streptoverticillium septatum -> Streptomyces septatus Streptoverticillium syringium -> Streptomyces syringium Streptoverticillium thioluteum -> Streptomyces thioluteus "Streptoverticillium verticillium subsp. quintum" Locci and Schofield 1989 (not validly published) 39:496 "Streptoverticillium verticillium subsp. tsukushiense" Locci and Schofield 1989 (not validly published) 39:496 Streptoverticillium viridoflavum -> Streptomyces viridiflavus STYGIOLOBUS Segerer et al. 1991 41:497* Stygiolobus azoricus Segerer et al. 1991 41:497* SUBDOLIGRANULUM Holmstr”m et al. 2004 54:1909 Subdoligranulum variabile Holmstr”m et al. 2004 54:1909 SUBSAXIBACTER Bowman and Nichols 2005 55:1481* Subsaxibacter broadyi Bowman and Nichols 2005 55:1482* SUBSAXIMICROBIUM Bowman and Nichols 2005 55:1481* Subsaximicrobium saxinquilinus Bowman and Nichols 2005 55:1481* Subsaximicrobium wynnwilliamsii Bowman and Nichols 2005 55:1481* SUBTERCOLA M„nnist” et al. 2000 50:1737* Subtercola boreus M„nnist” et al. 2000 50:1737* Subtercola frigoramans M„nnist” et al. 2000 50:1737* Subtercola pratensis -> Agreia pratensis SUCCINICLASTICUM van Gylswyk 1995 45:298* Succiniclasticum ruminis van Gylswyk 1995 45:299* SUCCINIMONAS Bryant et al. 1958 30:411 (AL) Succinimonas amylolytica Bryant et al. 1958 30:411 (AL) SUCCINISPIRA Janssen and O'Farrell 1999 49:1012* Succinispira mobilis Janssen and O'Farrell 1999 49:1012* SUCCINIVIBRIO Bryant and Small 1956 30:411 (AL) Succinivibrio dextrinosolvens Bryant and Small 1956 30:411 (AL) SULFITOBACTER Sorokin 1996 46:362 Sulfitobacter brevis Labrenz et al. 2000 50:311* Sulfitobacter delicatus Ivanova et al. 2004 54:479* Sulfitobacter dubius Ivanova et al. 2004 54:479* Sulfitobacter mediterraneus Pukall et al. 1999 49:518* Sulfitobacter pontiacus Sorokin 1996 46:362 SULFOBACILLUS Golovacheva and Karavaiko 1991 41:179 Sulfobacillus acidophilus Norris et al. 1996 46:1189 Sulfobacillus disulfidooxidans -> Alicyclobacillus disulfidooxydans Sulfobacillus sibiricus Melamud et al. 2006 56:499 Sulfobacillus thermosulfidooxidans Golovacheva and Karavaiko 1991 41:179 Sulfobacillus thermotolerans Bogdanova et al. 2006 56:1041* SULFOLOBUS Brock et al. 1972 30:411 (AL) Sulfolobus acidocaldarius Brock et al. 1972 30:411 (AL) Sulfolobus brierleyi -> Acidianus brierleyi Sulfolobus hakonensis -> Metallosphaera hakonensis Sulfolobus metallicus Huber and Stetter 1992 42:191 Sulfolobus shibatae Grogan et al. 1991 41:457 Sulfolobus solfataricus Zillig et al. 1980 30:411 (AL) Sulfolobus tokodaii Suzuki et al. 2002 52:1438 Sulfolobus yangmingensis Jan et al. 1999 49:1815* SULFOPHOBOCOCCUS Hensel et al. 1997 47:915 Sulfophobococcus zilligii Hensel et al. 1997 47:915 SULFURICURVUM Kodama and Watanabe 2004 54:2299* Sulfuricurvum kujiense Kodama and Watanabe 2004 54:2300* SULFURIHYDROGENIBIUM Takai et al. 2003 emend. Nakagawa et al. 2005 53:826* Sulfurihydrogenibium azorense Aguiar et al. 2004 emend. Nakagawa et al. 2005 54:38* Sulfurihydrogenibium subterraneum Takai et al. 2003 emend. Nakagawa et al. 2005 53:826* Sulfurihydrogenibium yellowstonense Nakagawa et al. 2005 55:2267* SULFURIMONAS Inagaki et al. 2003 emend. Takai et al.2006 53:1805* Sulfurimonas autotrophica Inagaki et al. 2003 53:1805* Sulfurimonas denitrificans (Timmer-ten Hoor 1975) Takai et al. 2006 56:1731* Sulfurimonas paralvinellae Takai et al. 2006 56:1731* SULFURISPHAERA Kurosawa et al. 1998 48:455* Sulfurisphaera ohwakuensis Kurosawa et al. 1998 48:455* SULFURIVIRGA Takai et al. 2006 56:1927* Sulfurivirga caldicuralii Takai et al. 2006 56:1927* SULFUROCOCCUS Golovacheva et al. 1995 45:880 Sulfurococcus mirabilis Golovacheva et al. 1995 45:880 Sulfurococcus yellowstonensis Karavaiko et al. 1995 45:880 SULFUROSPIRILLUM Schumacher et al. 1993 emend. Luijten et al. 2003 43:188 Sulfurospirillum arcachonense Finster et al. 1997 47:1216* Sulfurospirillum arsenophilum Stolz et al. 1999 49:1179* Sulfurospirillum barnesii Stolz et al. 1999 49:1179* Sulfurospirillum deleyianum Schumacher et al. 1993 43:188 Sulfurospirillum halorespirans Luijtgen et al. 2003 53:791* Sulfurospirillum multivorans (Scholz-Muramatsu et al. 2002) Luijtgen et al. 2003 53:791* SULFUROVUM Inagaki et al. 2004 54:1481* Sulfurovum lithotrophicum Inagaki et al. 2004 54:1481* SUTTERELLA Wexler et al. 1996 46:257* Sutterella stercoricanis Greetham et al. 2004 54:1583* Sutterella wadsworthensis Wexler et al. 1996 46:257* SUTTONELLA Dewhirst et al. 1990 emend. Foster et al. 2005 40:429* Suttonella indologenes (Snell and Lapage 1976) Dewhirst et al. 1990 40:430* Suttonella ornithocola Foster et al. 2005 55:2271* SWAMINATHANIA Loganathan and Nair 2004 54:1189* Swaminathania salitolerans Loganathan and Nair 2004 54:1189* SYMBIOBACTERIUM Ohno et al. 2000 50:1832* Symbiobacterium thermophilum Ohno et al. 2000 50:1832* SYMBIOTES Philip 1956 30:411 (AL) Symbiotes lectularius (Arkwright et al. 1921) Philip 1956 30:411 (AL) SYNERGISTES Allison et al. 1993 43:398 Synergistes jonesii Allison et al. 1993 43:398 SYNTROPHOBACTER Boone and Bryant 1984 emend. Chen et al. 2005 34:356 Syntrophobacter fumaroxidans Harmsen et al. 1998 48:1386* Syntrophobacter pfennigii Wallrabenstein et al. 1996 46:836 Syntrophobacter sulfatireducens Chen et al. 2005 55:1323* Syntrophobacter wolinii Boone and Bryant 1984 34:356 SYNTROPHOBOTULUS Friedrich et al. 1996 46:1068* Syntrophobotulus glycolicus Friedrich et al. 1996 46:1068* SYNTROPHOCOCCUS Krumholz and Bryant 1986 36:489 Syntrophococcus sucromutans Krumholz and Bryant 1986 36:489 SYNTROPHOMONAS McInerney et al. 1982 emend. Lorowitz et al. 1989 emend. Wu et al. 2006 32:267 Syntrophomonas bryantii (Stieb and Schink 1985) Wu et al. 2006 56:2335* Syntrophomonas cellicola Wu et al. 2006 56:2334* Syntrophomonas curvata Zhang et al. 2004 54:972* Syntrophomonas erecta Zhang et al. 2005 55:802* Syntrophomonas sapovorans Roy et al. 1987 37:179 Syntrophomonas wolfei see: Syntrophomonas wolfei subsp. wolfei Syntrophomonas wolfei subsp. saponavida Lorowitz et al. 1989 39:122* Syntrophomonas wolfei subsp. wolfei McInerney et al. 1982 emend. Lorowitz et al. 1989 32:267 SYNTROPHOSPORA => SYNTROPHOMONAS Syntrophospora bryantii -> Syntrophomonas bryantii SYNTROPHOTHERMUS Sekiguchi et al. 2000 50:778* Syntrophothermus lipocalidus Sekiguchi et al. 2000 50:778* SYNTROPHUS Mountfort et al. 1984 34:216* Syntrophus aciditrophicus Jackson et al. 2001 51:793 Syntrophus buswellii Mountfort et al. 1984 34:216* Syntrophus gentianae Wallrabenstein et al. 1996 46:836 TANNERELLA Sakamoto et al. 2002 52:848* Tannerella forsythensis (Tanner et al. 1986) Sakamoto et al. 2002 (corrig.) 52:848* TATLOCKIA Garrity et al. 1980 30:612* Tatlockia maceachernii (Brenner et al. 1985) Fox et al. 1991 41:457 Tatlockia micdadei Garrity et al. 1980 30:612* TATUMELLA Hollis et al. 1982 32:267 Tatumella ptyseos Hollis et al. 1982 32:267 TAYLORELLA Sugimoto et al. 1984 34:503 Taylorella asinigenitalis Jang et al. 2001 51:975* Taylorella equigenitalis (Taylor et al. 1983) Sugimoto et al. 1984 34:503 TECTIBACTER (ex Preer et al. 1974) Preer and Preer 1982 32:140* Tectibacter vulgaris (ex Preer et al. 1974) Preer and Preer 1982 32:148* Tectobacter vulgaris see: Tectibacter vulgaris TEICHOCOCCUS K„mpfer et al. 2003 53:936 Teichococcus ludipueritiae K„mpfer et al. 2003 53:936 TELLURIA Bowman et al. 1993 43:123* Telluria chitinolytica Bowman et al. 1993 43:124* Telluria mixta (Bowman et al. 1989) Bowman et al. 1993 43:124* TENACIBACULUM Suzuki et al. 2001 51:1650* Tenacibaculum aestuarii Jung et al. 2006 56:1580* Tenacibaculum amylolyticum Suzuki et al. 2001 51:1650* Tenacibaculum litoreum Choi et al. 2006 56:639* Tenacibaculum lutimaris Yoon et al. 2005 55:797* Tenacibaculum maritimum (Wakabayashi et al. 1986) Suzuki et al. 2001 51:1650* Tenacibaculum mesophilum Suzuki et al. 2001 51:1650* Tenacibaculum ovolyticum (Hansen et al. 1992) Suzuki et al. 2001 51:1650* Tenacibaculum skagerrakense Frette et al. 2004 54:523* TENUIBACILLUS Ren and Zhou 2005 55:98* Tenuibacillus multivorans Ren and Zhou 2005 55:98* TEPIDANAEROBACTER Sekiguchi et al. 2006 56:1627* Tepidanaerobacter syntrophicus Sekiguchi et al. 2006 56:1627* TEPIDIBACTER Slobodkin et al. 2003 53:1133* Tepidibacter formicigenes Urios et al. 2004 54:442* Tepidibacter thalassicus Slobodkin et al. 2003 53:1133* TEPIDICELLA Fran‡a et al. 2006 56:911* Tepidicella xavieri Fran‡a et al. 2006 56:911* TEPIDIMICROBIUM Slobodkin et al. 2006 56:371* Tepidimicrobium ferriphilum Slobodkin et al. 2006 56:372* TEPIDIMONAS Moreira et al. 2000 50:741* Tepidimonas aquatica Freitas et al. 2003 53:1701 Tepidimonas ignava Moreira et al. 2000 50:741* Tepidimonas taiwanensis Chen et al. 2006 56:1460* TEPIDIPHILUS Manaia et al. 2003 53:1409* Tepidiphilus margaritifer Manaia et al. 2003 53:1409* TERASAKIELLA Satomi et al. 2002 52:745* Terasakiella pusilla (Terasaki 1973) Satomi et al. 2002 52:745* TEREDINIBACTER Distel et al. 2002 52:2267* Teredinibacter turnerae Distel et al. 2002 52:2268* TERRABACTER Collins et al. 1989 39:1* Terrabacter terrae Montero-Barrientos et al. 2005 55:2494* Terrabacter tumescens (Jensen 1934) Collins et al. 1989 39:1* TERRACOCCUS Prauser et al. 1997 47:1222* Terracoccus luteus Prauser et al. 1997 47:1223* TERRIMONAS Xie and Yokota 2006 56:1120* Terrimonas ferruginea (Sickles and Shaw 1934) Xie and Yokota 2006 56:1120* Terrimonas lutea Xie and Yokota 2006 56:1120* TESSARACOCCUS Maszenan et al. 1999 49:466* Tessaracoccus bendigoensis Maszenan et al. 1999 49:466* TETRAGENOCOCCUS Collins et al. 1993 43:188 Tetragenococcus halophilus (Mees 1934) Collins et al. 1993 43:188 Tetragenococcus koreensis Lee et al. 2005 55:1412* Tetragenococcus muriaticus Satomi et al. 1997 47:835* Tetragenococcus solitarius (Collins et al. 1989) Ennahar and Cai 2005 55:592* TETRASPHAERA Maszenan et al. 2000 emend. Ishikawa and Yokota 2006 50:601* Tetrasphaera australiensis Maszenan et al. 2000 50:601* Tetrasphaera duodecadis (Lochhead 1958) Ishikawa and Yokota 2006 56:1372* Tetrasphaera elongata Hanada et al. 2002 52:886* Tetrasphaera japonica Maszenan et al. 2000 50:601* Tetrasphaera jenkinsii McKenzie et al. 2006 56:2288* Tetrasphaera vanveenii McKenzie et al. 2006 56:2288* Tetrasphaera veronensis McKenzie et al. 2006 56:2288* TETRATHIOBACTER Ghosh et al. 2005 55:1785* Tetrathiobacter kashmirensis Ghosh et al. 2005 55:1786* Tetrathiobacter mimigardefordensis Wbbeler et al. 2006 56:1308* THALASSOBACILLUS Garc¡a et al. 2005 55:1793* Thalassobacillus devorans Garc¡a et al. 2005 55:1793* THALASSOBACTER => JANNASCHIA Thalassobacter stenotrophicus => Jannaschia cystaugens THALASSOBIUS Arahal et al. 2005 55:2374* Thalassobius gelatinovorus (Rger and H”fle 1992) Arahal et al. 2006 56:3 Thalassobius mediterraneus Arahal et al. 2005 55:2375* THALASSOLITUUS Yakimov et al. 2004 54:146* Thalassolituus oleivorans Yakimov et al. 2004 54:147* THALASSOMONAS Maci n et al. 2001 emend. Jean et al. 2006 51:1287* Thalassomonas agarivorans Jean et al. 2006 56:1248* Thalassomonas ganghwensis Yi et al. 2004 54:380* Thalassomonas loyana Thompson et al. 2006 56:367* Thalassomonas viridans Maci n et al. 2001 51:1288* THALASSOSPIRA L¢pez-L¢pez et al. 2002 52:1282* Thalassospira lucentensis L¢pez-L¢pez et al. 2002 52:1282* THAUERA Macy et al. 1993 emend. Anders et al. 1995 emend. Song et al. 1998 43:139* Thauera aminoaromatica Mechichi et al. 2002 52:1438 Thauera aromatica Anders et al. 1995 45:331* Thauera chlorobenzoica Song et al. 2001 51:600* Thauera linaloolentis Foss and Harder 1999 49:2 Thauera mechernichensis Scholten et al. 1999 49:1049* Thauera phenylacetica Mechichi et al. 2002 52:1438 Thauera selenatis Macy et al. 1993 43:140* Thauera terpenica Foss and Harder 1999 49:2 THERMACETOGENIUM Hattori et al. 2000 50:1608* Thermacetogenium phaeum Hattori et al. 2000 50:1608* THERMAEROBACTER Takai et al. 1999 emend. Spanevello et al. 2002 49:625* Thermaerobacter litoralis Tanaka et al. 2006 56:1533* Thermaerobacter marianensis Takai et al. 1999 49:625* Thermaerobacter nagasakiensis Nunoura et al. 2002 52:1075 Thermaerobacter subterraneus Spanevello et al. 2002 52:799* THERMANAEROMONAS Mori et al. 2002 52:1679* Thermanaeromonas toyohensis Mori et al. 2002 52:1679* THERMANAEROVIBRIO Baena et al. 1999 emend. Zavarzina et al. 2000 49:973* Thermanaerovibrio acidaminovorans (Guangsheng et al. 1997) Baena et al. 1999 49:973* Thermanaerovibrio velox Zavarzina et al. 2000 50:1293* THERMICANUS G”áner et al. 2000 50:423 Thermicanus aegyptius G”áner et al. 2000 50:423 THERMINCOLA Sokolova et al. 2005 55:2072* Thermincola carboxydiphila Sokolova et al. 2005 55:2072* THERMITHIOBACILLUS Kelly and Wood 2000 50:515* Thermithiobacillus tepidarius (Wood and Kelly 1985) Kelly and Wood 2000 50:515* THERMOACTINOMYCES Tsilinsky 1899 emend. Yoon et al. 2005 30:411 (AL) Thermoactinomyces candidus => Thermoactinomyces vulgaris Thermoactinomyces dichotomicus -> Thermoflavimicrobium dichotomicum Thermoactinomyces intermedius Kurup et al. 1981 31:216 Thermoactinomyces peptonophilus -> Seinonella peptonophila Thermoactinomyces putidus -> Laceyella putida Thermoactinomyces sacchari -> Laceyella sacchari Thermoactinomyces thalpophilus => Laceyella sacchari Thermoactinomyces vulgaris Tsilinsky 1899 30:412 (AL) THERMOANAEROBACTER Wiegel and Ljungdahl 1982 32:384 Thermoanaerobacter acetoethylicus (Ben-Bassat and Zeikus 1983) Rainey and Stackebrandt 1993 43:857* Thermoanaerobacter brockii see: Thermoanaerobacter brockii subsp. brockii Thermoanaerobacter brockii subsp. brockii (Zeikus et al. 1983) Lee et al. 1993 emend. Cayol et al. 1995 43:49* Thermoanaerobacter brockii subsp. finnii (Schmid et al. 1986) Cayol et al. 1995 45:788* Thermoanaerobacter brockii subsp. lactiethylicus Cayol et al. 1995 45:788* Thermoanaerobacter ethanolicus Wiegel and Ljungdahl 1982 32:384 Thermoanaerobacter finnii -> Thermoanaerobacter brockii subsp. finnii Thermoanaerobacter italicus Kozianowski et al. 1998 48:1083 Thermoanaerobacter kivui (Leigh and Wolfe 1983) Collins et al. 1994 44:824* Thermoanaerobacter mathranii Larsen et al. 1998 48:328 Thermoanaerobacter siderophilus Slobodkin et al. 1999 49:1477* Thermoanaerobacter subterraneus Caldanaerobacter subterraneus subsp. subterraneus Thermoanaerobacter sulfurophilus Bonch-Osmolovskaya 1998 48:631 Thermoanaerobacter tengcongensis -> Caldanaerobacter subterraneus subsp. tengcongensis Thermoanaerobacter thermocopriae (Jin et al. 1988) Collins et al. 1994 44:824* Thermoanaerobacter thermohydrosulfuricus (Klaushofer and Parkkinen 1965) Lee et al. 1993 43:49* Thermoanaerobacter wiegelii Cook et al. 1996 46:126* Thermoanaerobacter yonseiensis -> Caldanaerobacter subterraneus subsp. yonseiensis THERMOANAEROBACTERIUM Lee et al. 1993 emend. Liu et al. 1996 emend. Cann et al. 2001 43:48* Thermoanaerobacterium aotearoense Liu et al. 1996 46:395* Thermoanaerobacterium polysaccharolyticum Cann et al. 2001 51:299* Thermoanaerobacterium saccharolyticum Lee et al. 1993 43:49* Thermoanaerobacterium thermosaccharolyticum (McClung 1935) Collins et al. 1994 44:824* Thermoanaerobacterium thermosulfurigenes (Schink and Zeikus 1983) Lee et al. 1993 43:48* Thermoanaerobacterium xylanolyticum Lee et al. 1993 43:48* Thermoanaerobacterium zeae Cann et al. 2001 51:300* THERMOANAEROBIUM -> THERMOANAEROBACTER Thermoanaerobium acetigenum -> Caldicellulosiruptor acetigenus Thermoanaerobium brockii -> Thermoanaerobacter brockii subsp. brockii THERMOBACILLUS Touzel et al. 2000 50:318* Thermobacillus xylanilyticus Touzel et al. 2000 50:319* THERMOBACTEROIDES Ben-Bassat and Zeikus 1983 33:673 Thermobacteroides acetoethylicus -> Thermoanaerobacter acetoethylicus Thermobacteroides leptospartum -> Clostridium stercorarium subsp. leptospartum Thermobacteroides proteolyticus -> Coprothermobacter proteolyticus THERMOBIFIDA Zhang et al. 1998 48:417* Thermobifida alba (Locci et al. 1967) Zhang et al. 1998 48:418* Thermobifida cellulosilytica Kukolya et al. 2002 52:1198* Thermobifida fusca (McCarthy and Cross 1984) Zhang et al. 1998 48:418* THERMOBISPORA Wang et al. 1996 46:937* Thermobispora bispora (Henssen 1957) Wang et al. 1996 46:937* THERMOBRACHIUM Engle et al. 1996 46:1032* Thermobrachium celere Engle et al. 1996 46:1032* THERMOCHROMATIUM Imhoff et al. 1998 48:1140* Thermochromatium tepidum (Madigan 1986) Imhoff et al. 1998 48:1140* THERMOCLADIUM Itoh et al. 1998 48:886* Thermocladium modestius Itoh et al. 1998 48:886* THERMOCOCCUS Zillig 1983 33:673 Thermococcus acidaminovorans Dirmeier et al. 2001 51:793 Thermococcus aegaeicus see: Thermococcus aegaeus Thermococcus aegaeus Arab et al. 2000 (corrig.) 50:2106* Thermococcus aggregans Canganella et al. 1998 48:1183* Thermococcus alcaliphilus Keller et al. 1997 47:601 Thermococcus atlanticus Cambon-Bonavita et al. 2004 54:1425 Thermococcus barophilus Marteinsson et al. 1999 49:357* Thermococcus barossii Duffaud et al. 2005 55:548 Thermococcus celer Zillig 1983 33:673 Thermococcus chitonophagus Huber and Stetter 1996 46:836 Thermococcus coalescens Kuwabara et al. 2005 55:2513* Thermococcus fumicolans Godfroy and Meunier 1996 46:1118* Thermococcus gammatolerans Jolivet et al. 2003 53:851* Thermococcus gorgonarius Miroshnichenko et al. 1998 48:28* Thermococcus guaymasensis Canganella et al. 1998 48:1184* Thermococcus hydrothermalis Godfroy et al. 1997 47:626* Thermococcus kodakarensis Atomi et al. 2005 (corrig.) 55:984 Thermococcus litoralis Neuner et al. 2001 51:1619 Thermococcus pacificus Miroshnichenko et al. 1998 48:28* Thermococcus peptonophilus Gonz lez et al. 1996 46:625 Thermococcus profundus Kobayashi and Horikoshi 1995 45:418 Thermococcus sibiricus Miroshnichenko et al. 2001 51:1619 Thermococcus siculi Grote et al. 2000 50:949 Thermococcus stetteri Miroshnichenko 1990 40:321 Thermococcus waiotapuensis Gonz lez et al. 2001 51:793 Thermococcus zilligii Ronimus et al. 1999 49:935 THERMOCRINIS Huber et al. 1999 49:341 Thermocrinis albus Eder and Huber 2002 52:1915 Thermocrinis ruber Huber et al. 1999 49:341 THERMOCRISPUM Korn-Wendisch et al. 1995 45:73* Thermocrispum agreste Korn-Wendisch et al. 1995 45:75* Thermocrispum municipale Korn-Wendisch et al. 1995 45:74* THERMODESULFATATOR Moussard et al. 2004 54:232* Thermodesulfatator indicus Moussard et al. 2004 54:232* THERMODESULFOBACTERIUM Zeikus et al. 1995 emend. Jeanthon et al. 2002 45:197 Thermodesulfobacterium commune Zeikus et al. 1995 45:197 Thermodesulfobacterium hveragerdense Sonne-Hansen and Ahring 2000 50:949 Thermodesulfobacterium hydrogeniphilum Jeanthon et al. 2002 52:770* Thermodesulfobacterium mobile see: Thermodesulfobacterium thermophilum Thermodesulfobacterium thermophilum (Rozanova and Khudyakova 1974) Rozanova and Pivovarova 1995 41:179 THERMODESULFOBIUM Mori et al. 2004 54:1 Thermodesulfobium narugense Mori et al. 2004 54:1 THERMODESULFORHABDUS Beeder et al. 1996 46:625 Thermodesulforhabdus norvegica Beeder et al. 1996 (corrig.) 46:625 Thermodesulforhabdus norvegicus see: Thermodesulforhabdus norvegica THERMODESULFOVIBRIO Henry et al. 1994 44:595 Thermodesulfovibrio islandicus Sonne-Hansen and Ahring 2000 50:949 Thermodesulfovibrio yellowstonii Henry et al. 1994 44:595 THERMODISCUS Stetter 2003 53:1 Thermodiscus maritimus Stetter 2003 53:1 THERMOFILUM Zillig and Gierl 1983 33:673 Thermofilum pendens Zillig and Gierl 1983 33:673 THERMOFLAVIMICROBIUM Yoon et al. 2005 55:399* Thermoflavimicrobium dichotomicum (Krasil'nikov and Agre 1964) Yoon et al. 2005 55:399* THERMOHALOBACTER Cayol et al. 2000 50:562* Thermohalobacter berrensis Cayol et al. 2000 50:562* THERMOHYDROGENIUM Zacharova et al. 1996 46:625 Thermohydrogenium kirishiense Zacharova et al. 1996 46:625 THERMOLEOPHILUM Zarilla and Perry 1986 36:355 Thermoleophilum album Zarilla and Perry 1986 36:355 Thermoleophilum minutum Zarilla and Perry 1986 36:13* THERMOMICROBIUM Jackson et al. 1973 30:412 (AL) Thermomicrobium fosteri Phillips and Perry 1976 30:412 (AL) Thermomicrobium roseum Jackson et al. 1973 30:412 (AL) THERMOMONAS Busse et al. 2002 emend. Mergaert et al. 2003 52:480* Thermomonas brevis Mergaert et al. 2003 53:1966* Thermomonas fusca Mergaert et al. 2003 53:1965* Thermomonas haemolytica Busse et al. 2002 52:480* Thermomonas hydrothermalis Alves et al. 2003 53:936 Thermomonas koreensis Kim et al. 2006 56:1618* THERMOMONOSPORA Henssen 1957 emend. Zhang et al. 1998 30:412 (AL) Thermomonospora alba -> Thermobifida alba Thermomonospora chromogena (ex Krasil'nikov and Agre 1965) McCarthy and Cross 1984 34:356 Thermomonospora curvata Henssen 1957 30:412 (AL) Thermomonospora formosensis -> Actinomadura formosensis Thermomonospora fusca -> Thermobifida fusca Thermomonospora mesophila -> Microbispora mesophila Thermomonospora mesouviformis => Thermobifida alba THERMONEMA Hudson et al. 1989 39:485* Thermonema lapsum Hudson et al. 1989 39:485* Thermonema rossianum Nobre et al. 1997 47:125* THERMOPLASMA Darland et al. 1970 30:412 (AL) Thermoplasma acidophilum Darland et al. 1970 30:413 (AL) Thermoplasma volcanium Segerer et al. 1988 38:329* THERMOPOLYSPORA (ex Krasil'nikov and Agre 1964) Goodfellow et al. 2005 55:1982* Thermopolyspora flexuosa (Meyer 1989) Goodfellow et al. 2005 55:1982* THERMOPROTEUS Zillig and Stetter 1982 32:267 Thermoproteus neutrophilus Stetter and Zillig 1989 39:496 Thermoproteus tenax Zillig and Stetter 1982 32:267 Thermoproteus uzoniensis Bonch-Osmolovskaya et al. 2001 51:1619 THERMOSEDIMINIBACTER Lee et al. 2006 56:925 Thermosediminibacter litoriperuensis Lee et al. 2006 56:925 Thermosediminibacter oceani Lee et al. 2006 56:925 THERMOSINUS Sokolova et al. 2004 54:2358* Thermosinus carboxydivorans Sokolova et al. 2004 54:2358 THERMOSIPHO Huber et al. 1989 emend. Ravot et al. 1996 39:496 Thermosipho africanus Huber et al. 1989 39:496 Thermosipho atlanticus Urios et al. 2004 54:1957* Thermosipho geolei L'Haridon et al. 2001 51:1332* Thermosipho japonicus Takai and Horikoshi 2000 50:1699 Thermosipho melanesiensis Antoine et al. 1997 47:1122* THERMOSPHAERA Huber et al. 1998 48:36* Thermosphaera aggregans Huber et al. 1998 48:36* THERMOSYNTROPHA Svetlitshnyi et al. 1996 46:1135* Thermosyntropha lipolytica Svetlitshnyi et al. 1996 46:1136* THERMOTERRABACTERIUM -> CARBOXYDOTHERMUS Thermoterrabacterium ferrireducens -> Carboxydothermus ferrireducens THERMOTHRIX Caldwell et al. 1981 31:217 Thermothrix azorensis Odintsova et al. 1996 46:426* Thermothrix thiopara Caldwell et al. 1981 31:217 THERMOTOGA Stetter and Huber 1986 36:573 Thermotoga elfii Ravot et al. 1995 45:312* Thermotoga hypogea Fardeau et al. 1997 47:1018* Thermotoga lettingae Balk et al. 2002 52:1367* Thermotoga maritima Stetter and Huber 1986 36:573 Thermotoga naphthophila Takahata et al. 2001 51:1907* Thermotoga neapolitana Jannasch et al. 1989 39:93 Thermotoga petrophila Takahata et al. 2001 51:1907* Thermotoga subterranea Jeanthon et al. 2000 50:1699 Thermotoga thermarum Windberger et al. 1992 42:327 THERMOVENABULUM Zavarzina et al. 2002 52:1741* Thermovenabulum ferriorganovorum Zavarzina et al. 2002 52:1741* THERMOVIBRIO Huber et al. 2002 52:1864* Thermovibrio ammonificans Vetriani et al. 2004 54:180* Thermovibrio ruber Huber et al. 2002 52:1864* THERMOVIRGA Dahle and Birkeland 2006 56:1544* Thermovirga lienii Dahle and Birkeland 2006 56:1544* THERMUS Brock and Freeze 1969 emend. Nobre et al. 1996 30:413 (AL) Thermus antranikianii Chung et al. 2000 50:216* Thermus aquaticus Brock and Freeze 1969 30:413 (AL) Thermus brockianus Williams et al. 1995 45:498* Thermus chliarophilus -> Meiothermus chliarophilus Thermus filiformis Hudson et al. 1987 37:431* Thermus igniterrae Chung et al. 2000 50:216* Thermus oshimai Williams et al. 1996 46:406* Thermus profundus see: Thermococcus profundus Thermus ruber -> Meiothermus ruber Thermus scotoductus Kristjansson et al. 1994 44:595 Thermus silvanus -> Meiothermus silvanus Thermus thermophilus (ex Oshima and Imahori 1974) Manaia et al. 1995 45:619 THIALKALICOCCUS (corrig.) see: THIOALKALICOCCUS Thialkalicoccus limnaeus (corrig.) see: Thioalkalicoccus limnaeus THIALKALIMICROBIUM (corrig.) see: THIOALKALIMICROBIUM Thialkalimicrobium aerophilum (corrig.) see: Thioalkalimicrobium aerophilum Thialkalimicrobium cyclicum (corrig.) see: Thioalkalimicrobium cyclicum Thialkalimicrobium sibiricum (corrig.) see: Thioalkalimicrobium sibiricum THIALKALIVIBRIO (corrig.) see: THIOALKALIVIBRIO Thialkalivibrio denitrificans (corrig.) see: Thioalkalivibrio denitrificans Thialkalivibrio halophilus see: Thioalkalivibrio halophilus Thialkalivibrio jannaschii (corrig.) see: Thioalkalivibrio jannaschii Thialkalivibrio nitratireducens (corrig.) see: Thioalkalivibrio nitratireducens Thialkalivibrio nitratis (corrig.) see: Thioalkalivibrio nitratis Thialkalivibrio paradoxus (corrig.) see: Thioalkalivibrio paradoxus Thialkalivibrio thiocyanodenitrificans see: Thioalkalivibrio thiocyanodenitrificans Thialkalivibrio thiocyanoxidans (corrig.) see: Thioalkalivibrio thiocyanoxidans Thialkalivibrio versutus (corrig.) see: Thioalkalivibrio versutus THIOALKALICOCCUS Bryantseva et al. 2000 50:2161* Thioalkalicoccus limnaeus Bryantseva et al. 2000 50:2162* THIOALKALIMICROBIUM Sorokin et al. 2001 51:576* Thioalkalimicrobium aerophilum Sorokin et al. 2001 51:578* Thioalkalimicrobium cyclicum Sorokin et al. 2002 52:919* Thioalkalimicrobium sibiricum Sorokin et al. 2001 (corrig.) 51:578* THIOALKALISPIRA Sorokin et al. 2002 52:2181* Thioalkalispira microaerophila Sorokin et al. 2002 52:2181* THIOALKALIVIBRIO Sorokin et al. 2001 emend. Banciu et al. 2004 51:578* Thioalkalivibrio denitrificans Sorokin et al. 2001 51:579* Thioalkalivibrio halophilus corrig. Banciu et al. 2005 55:548 Thioalkalivibrio jannaschii Sorokin et al. 2002 52:919* Thioalkalivibrio nitratireducens Sorokin et al. 2003 (corrig.) 53:1783* Thioalkalivibrio nitratis Sorokin et al. 2001 51:579* Thioalkalivibrio paradoxus Sorokin et al. 2002 52:663* Thioalkalivibrio thiocyanodenitrificans Sorokin et al. 2005 (corrig.) 55:1396 Thioalkalivibrio thiocyanoxidans Sorokin et al. 2002 52:663* Thioalkalivibrio versutus Sorokin et al. 2001 51:579* THIOBACA Rees et al. 2002 52:677* Thiobaca trueperi Rees et al. 2002 52:677* THIOBACILLUS Beijerinck 1904 30:413 (AL) Thiobacillus acidophilus -> Acidiphilium acidophilum Thiobacillus albertis -> Acidithiobacillus albertensis Thiobacillus aquaesulis Wood and Kelly 1995 45:418 Thiobacillus caldus -> Acidithiobacillus caldus Thiobacillus concretivorus => Acidithiobacillus thiooxidans Thiobacillus delicatus -> Thiomonas delicata Thiobacillus denitrificans (ex Beijerinck 1904) Kelly and Harrison 1989 39:496 Thiobacillus ferrooxidans -> Acidithiobacillus ferrooxidans Thiobacillus halophilus -> Halothiobacillus halophilus Thiobacillus hydrothermalis -> Halothiobacillus hydrothermalis Thiobacillus intermedius -> Thiomonas intermedia "Thiobacillus intermedius subsp. perometabolis" (London and Rittenberg 1967) Harrison 1983 (not validly published) 33:211* Thiobacillus neapolitanus -> Halothiobacillus neapolitanus Thiobacillus novellus -> Starkeya novella Thiobacillus perometabolis -> Thiomonas perometabolis Thiobacillus rapidicrescens = Paracoccus versutus Thiobacillus tepidarius -> Thermithiobacillus tepidarius Thiobacillus thermosulfatus -> Thiomonas thermosulfata Thiobacillus thiooxidans -> Acidithiobacillus thiooxidans Thiobacillus thioparus Beijerinck 1904 30:413 (AL) Thiobacillus thyasiris -> Thiomicrospira thyasirae Thiobacillus versutus -> Paracoccus versutus THIOBACTER Hirayama et al. 2005 55:471* Thiobacter subterraneus Hirayama et al. 2005 55:471* THIOBACTERIUM (ex Janke 1924) La Riviere and Kuenen 1989 39:496 Thiobacterium bovistum (ex Molisch 1912) La Riviere and Kuenen 1989 (corrig.) 39:496 THIOCAPSA Winogradsky 1888 emend. Guyoneaud et al. 1998 30:413 (AL) Thiocapsa halophila -> Thiohalocapsa halophila Thiocapsa litoralis Puchkova et al. 2000 50:1446* Thiocapsa marina Caumette et al. 2004 54:1035* Thiocapsa pendens (Molisch 1906) Guyoneaud et al. 1998 48:962* Thiocapsa pfennigii -> Thiococcus pfennigii Thiocapsa rosea (Winogradsky 1888) Guyoneaud et al. 1998 48:962* Thiocapsa roseopersicina Winogradsky 1888 30:413 (AL) THIOCLAVA Sorokin et al. 2005 55:1074* Thioclava pacifica Sorokin et al. 2005 55:1074* THIOCOCCUS Imhoff et al. 1998 48:1139* Thiococcus pfennigii (Eimhjellen 1970) Imhoff et al. 1998 48:1139* THIOCYSTIS Winogradsky 1888 emend. Imhoff et al. 1998 30:413 (AL) Thiocystis gelatinosa (Winogradsky 1888) Pfennig and Trper 1971 30:414 (AL) Thiocystis minor (Winogradsky 1888) Imhoff et al. 1998 48:1139* Thiocystis violacea Winogradsky 1888 30:414 (AL) Thiocystis violascens (Perty 1852) Imhoff et al. 1998 48:1139* THIODICTYON Winogradsky 1888 30:414 (AL) Thiodictyon bacillosum (Winogradsky 1888) Pfennig and Trper 1971 30:414 (AL) Thiodictyon elegans Winogradsky 1888 30:414 (AL) THIOFLAVICOCCUS Imhoff and Pfennig 2001 51:109* Thioflavicoccus mobilis Imhoff and Pfennig 2001 51:109* THIOHALOCAPSA Imhoff et al. 1998 48:1139* Thiohalocapsa halophila (Caumette et al. 1991) Imhoff et al. 1998 48:1139* THIOLAMPROVUM Guyoneaud et al. 1998 48:963* Thiolamprovum pedioforme (Eichler and Pfennig 1987) Guyoneaud et al. 1998 48:963* THIOMARGARITA Schulz et al. 1999 49:1325 Thiomargarita namibiensis Schulz et al. 1999 49:1325 THIOMICROSPIRA Kuenen and Veldkamp 1972 30:414 (AL) Thiomicrospira arctica Knittel et al. 2005 55:785* Thiomicrospira chilensis Brinkhoff et al. 1999 49:878* Thiomicrospira crunogena Jannasch et al. 1985 35:422* Thiomicrospira denitrificans -> Sulfurimonas denitrificans Thiomicrospira frisia Brinkhoff et al. 1999 49:391* Thiomicrospira halophila Sorokin et al. 2006 56:2379* Thiomicrospira kuenenii Brinkhoff et al. 1999 49:390* Thiomicrospira pelophila Kuenen and Veldkamp 1972 30:414 (AL) Thiomicrospira psychrophila Knittel et al. 2005 55:785* Thiomicrospira thermophila Takai et al. 2004 54:2331* Thiomicrospira thyasirae (Wood and Kelly 1995) Wood and Kelly 1995 45:418 THIOMONAS Moreira and Amils 1997 47:527* Thiomonas cuprina Moreira and Amils 1997 47:527* Thiomonas delicata (Katayama-Fujimura et al. 1984) Kelly and Wood 2006 56:926 Thiomonas intermedia (London 1963) Moreira and Amils 1997 47:527* Thiomonas perometabolis (London and Rittenberg 1967 emend. Katayama-Fujimura and Kuraishi 1983) Moreira and Amils 1997 47:527* Thiomonas thermosulfata (Shooner et al. 1996) Moreira and Amils 1997 47:527* THIOPEDIA Winogradsky 1888 30:414 (AL) Thiopedia rosea Winogradsky 1888 30:414 (AL) THIOPLOCA Lauterborn 1907 30:414 (AL) Thioploca araucae Maier and Gallardo 1984 34:417* Thioploca chileae Maier and Gallardo 1984 34:417* Thioploca ingrica (ex Visloukh 1911) Maier 1984 34:344* Thioploca schmidlei Lauterborn 1907 30:414 (AL) THIOREDUCTOR Nakagawa et al. 2005 55:603* Thioreductor micantisoli Nakagawa et al. 2005 55:604* THIORHODOCOCCUS Guyoneaud et al. 1998 48:328 Thiorhodococcus mannitoliphagus Rabold et al. 2006 56:1949* Thiorhodococcus minor Guyoneaud et al. 1998 (corrig.) 48:328 Thiorhodococcus minus see: Thiorhodococcus minor THIORHODOSPIRA Bryantseva et al. 1999 49:702* Thiorhodospira sibirica Bryantseva et al. 1999 49:702* THIORHODOVIBRIO Overmann et al. 1993 43:188 Thiorhodovibrio winogradskyi Overmann et al. 1993 43:188 THIOSPHAERA -> PARACOCCUS Thiosphaera pantotropha -> Paracoccus pantotrophus THIOSPIRA Visloukh 1914 30:414 (AL) Thiospira winogradskyi (Omelianski 1905) Visloukh 1914 30:415 (AL) THIOSPIRILLUM Winogradsky 1888 30:415 (AL) Thiospirillum jenense (Ehrenberg 1838) Migula 1900 30:415 (AL) THIOTHRIX Winogradsky 1888 emend. Howarth et al. 1999 emend. Aruga et al. 2002 30:415 (AL) Thiothrix defluvii Howarth et al. 1999 49:1825* Thiothrix disciformis Aruga et al. 2002 52:1315* Thiothrix eikelboomii Howarth et al. 1999 emend. Aruga et al. 2002 49:1825* Thiothrix flexilis Aruga et al. 2002 52:1315* Thiothrix fructosivorans Howarth et al. 1999 49:1824* Thiothrix nivea (Rabenhorst 1865) Winogradsky 1888 30:415 (AL) Thiothrix unzii Howarth et al. 1999 49:1824* THIOVIRGA Ito et al. 2005 55:1063* Thiovirga sulfuroxydans Ito et al. 2005 55:1063* THIOVULUM Hinze 1913 30:415 (AL) Thiovulum majus Hinze 1913 30:415 (AL) THORSELLIA K„mpfer et al. 2006 56:337* Thorsellia anophelis K„mpfer et al. 2006 56:337* TINDALLIA Kevbrin et al. 1999 49:2 Tindallia californiensis Pikuta et al. 2003 53:1701 Tindallia magadiensis Kevbrin et al. 1999 49:2 TISSIERELLA 1986 Collins and Shah 1986 emend. Bae et al. 2004 36:461* Tissierella creatinini Farrow et al. 1995 45:439* Tissierella creatinophila Harms et al. 1998 48:991* Tissierella praeacuta (Tissier 1908) Collins and Shah 1986 36:461* TISTRELLA Shi et al. 2003 53:936 Tistrella mobilis Shi et al. 2003 53:936 TOLUMONAS Fischer-Romero et al. 1996 46:187* Tolumonas auensis Fischer-Romero et al. 1996 46:187* TOXOTHRIX Molisch 1925 30:415 (AL) Toxothrix trichogenes (Cholodny 1924) Beger 1953 30:415 (AL) TRABULSIELLA McWhorter et al. 1992 42:327 Trabulsiella guamensis McWhorter et al. 1992 42:327 TREPONEMA Schaudinn 1905 30:415 (AL) Treponema amylovorum Wyss et al. 1997 47:844* Treponema azotonutricium Graber et al. 2004 54:631 Treponema berlinense Nordhoff et al. 2005 55:1678* Treponema brennaborense Schrank et al. 1999 49:49* Treponema bryantii Stanton and Canale-Parola 1980 30:676 "Treponema carateum" (not validly published) Treponema denticola (ex Flgge 1886) Chan et al. 1993 43:201* Treponema hyodysenteriae -> Brachyspira hyodysenteriae Treponema innocens -> Brachyspira innocens Treponema lecithinolyticum Wyss et al. 1999 49:1337* Treponema maltophilum Wyss et al. 1996 46:751* Treponema medium Umemoto et al. 1997 47:71* Treponema minutum Dobell 1912 30:416 (AL) Treponema pallidum (Schaudinn and Hoffmann 1905) Schaudinn 1905 30:416 (AL) Treponema paraluis-cuniculi see: Treponema paraluiscuniculi Treponema paraluiscuniculi (Jacobsthal 1920) Smibert 1974 30:416 (AL) Treponema parvum Wyss et al. 2001 51:960* Treponema pectinovorum Smibert and Burmeister 1983 33:853* Treponema pertenue (Castellani 1905) Castellani and Chalmers 1910 30:416 (AL) Treponema porcinum Nordhoff et al. 2005 55:1679* Treponema primitia Graber et al. 2004 54:631 Treponema putidum Wyss et al. 2004 54:1121* Treponema saccharophilum Paster and Canale-Parola 1986 36:354 Treponema socranskii see: Treponema socranskii subsp. socranskii Treponema socranskii subsp. buccale Smibert et al. 1984 34:459* Treponema socranskii subsp. paredis Smibert et al. 1984 34:461* Treponema socranskii subsp. socranskii Smibert et al. 1984 34:461* Treponema succinifaciens Cwyk and Canale-Parola 1981 31:383 "Treponema vincentii" (not validly published) TRICHLOROBACTER De Wever et al. 2001 51:1 Trichlorobacter thiogenes De Wever et al. 2001 51:1 TRICHOCOCCUS Scheff et al. 1984 emend. Liu et al. 2002 34:356 Trichococcus collinsii Liu et al. 2002 emend. Pikuta et al. 2006 52:1124* Trichococcus flocculiformis Scheff et al. 1984 emend. Liu et al. 2002 34:356 Trichococcus palustris (Zhilina et al. 1997) Liu et al. 2002 52:1125* Trichococcus pasteurii (Schink 1985) Liu et al. 2002 52:1125* Trichococcus patagoniensis Pikuta et al. 2006 56:2060* TROPHERYMA La Scola et al. 2001 51:1478* Tropheryma whipplei La Scola et al. 2001 51:1478* TRUEPERA da Costa et al. 2005 55:1744 Truepera radiovictrix Albuquerque et al. 2005 55:1744 TSUKAMURELLA Collins et al. 1988 38:385* Tsukamurella inchonensis Yassin et al. 1995 45:526* Tsukamurella paurometabola (Steinhaus 1941) Collins et al. 1988 (corrig.) 38:385* Tsukamurella paurometabolum see: Tsukamurella paurometabola Tsukamurella pseudospumae Nam et al. 2004 54:1211* Tsukamurella pulmonis Yassin et al. 1996 46:434* Tsukamurella spumae Nam et al. 2003 53:1701 Tsukamurella strandjordae see: Tsukamurella strandjordii Tsukamurella strandjordii Kattar et al. 2002 (corrig.) 52:1075 Tsukamurella tyrosinosolvens Yassin et al. 1997 47:612* Tsukamurella wratislaviensis -> Rhodococcus wratislaviensis TURICELLA Funke et al. 1994 44:272* Turicella otitidis Funke et al. 1994 44:272* TURICIBACTER Bosshard et al. 2002 52:1266* Turicibacter sanguinis Bosshard et al. 2002 52:1266* TURNERIELLA Levett et al. 2005 55:1499* Turneriella parva (Hovind-Hougen et al. 1982) Levett et al. 2005 55:1499* ULVIBACTER Nedashkovskaya et al. 2004 53:121* Ulvibacter litoralis Nedashkovskaya et al. 2004 53:122* UREAPLASMA Shepard et al. 1974 30:416 (AL) Ureaplasma canigenitalium Harasawa et al. 1993 43:644* Ureaplasma cati Harasawa et al. 1990 40:45* Ureaplasma diversum Howard and Gourlay 1982 32:450* Ureaplasma felinum Harasawa et al. 1990 40:45* Ureaplasma gallorale Koshimizu et al. 1987 37:333* Ureaplasma parvum Robertson et al. 2002 52:593* Ureaplasma urealyticum Shepard et al. 1974 emend. Robertson et al. 2002 30:416 (AL) UREIBACILLUS Fortina et al. 2001 51:453* Ureibacillus suwonensis Kim et al. 2006 56:665* Ureibacillus terrenus Fortina et al. 2001 51:454* Ureibacillus thermosphaericus (Andersson et al. 1996) Fortina et al. 2001 51:453* URUBURUELLA Vela et al. 2005 55:646* Uruburuella suis Vela et al. 2005 55:646* VAGOCOCCUS Collins et al. 1990 40:212 Vagococcus carniphilus Shewmaker et al. 2004 54:1509* Vagococcus fessus Hoyles et al. 2000 50:1154* Vagococcus fluvialis Collins et al. 1990 40:212 Vagococcus lutrae Lawson et al. 1999 49:1254* Vagococcus salmoninarum Wallbanks et al. 1990 40:229* VAMPIROVIBRIO Gromov and Mamkayeva 1980 30:676 Vampirovibrio chlorellavorus (ex Gromov and Mamkayeva 1972) Gromov and Mamkayeva 1980 30:676 VARIBACULUM Hall et al. 2003 53:627 Varibaculum cambriense Hall et al. 2003 (corrig.) 53:627 VARIOVORAX Willems et al. 1991 41:446* Variovorax dokdonensis Yoon et al. 2006 56:813* Variovorax paradoxus (Davis 1969) Willems et al. 1991 41:447* VEILLONELLA Pr‚vot 1933 emend. Mays et al. 1982 30:416 (AL) Veillonella alcalescens => Veillonella parvula Veillonella alcalescens subsp. alcalescens => Veillonella parvula Veillonella alcalescens subsp. criceti -> Veillonella criceti Veillonella alcalescens subsp. dispar -> Veillonella dispar Veillonella alcalescens subsp. ratti -> Veillonella ratti Veillonella atypica (Rogosa 1965) Mays et al. 1982 32:35* Veillonella caviae Mays et al. 1982 32:35* Veillonella criceti (Rogosa 1965) Mays et al. 1982 32:35* Veillonella dispar (Rogosa 1965) Mays et al. 1982 32:35* Veillonella montpellierensis Jumas-Bilak et al. 2004 54:1315* Veillonella parvula (Veillon and Zuber 1898) Prevot 1933 30:416 (AL) Veillonella parvula subsp. atypica -> Veillonella atypica Veillonella parvula subsp. parvula see: Veillonella parvula Veillonella parvula subsp. rodentium -> Veillonella rodentium Veillonella ratti (Rogosa 1965) Mays et al. 1982 32:35* Veillonella rodentium (Rogosa 1965) Mays et al. 1982 32:35* VERRUCOMICROBIUM Schlesner 1988 38:221 Verrucomicrobium spinosum Schlesner 1988 38:221 VERRUCOSISPORA Rheims et al. 1998 48:1125* Verrucosispora gifhornensis Rheims et al. 1998 48:1126* VIBRIO Pacini 1954 30:417 (AL) Vibrio aerogenes Shieh et al. 2000 50:327* Vibrio aestuarianus Tison and Seidler 1983 33:699* Vibrio agarivorans Maci n et al. 2001 51:2035* Vibrio albensis => Vibrio cholerae Vibrio alginolyticus (Miyamoto et al. 1961) Sakazaki 1968 30:417 (AL) Vibrio anguillarum -> Listonella anguillarum Vibrio brasiliensis Thompson et al. 2003 53:250* Vibrio calviensis Denner et al. 2002 52:552* Vibrio campbellii (Baumann et al. 1971) Baumann et al. 1981 31:217 Vibrio carchariae => Vibrio harveyi Vibrio chagasii Thompson et al. 2003 53:758* Vibrio cholerae Pacini 1854 30:417 (AL) Vibrio cincinnatiensis Brayton et al. 1986 36:354 Vibrio coralliilyticus Ben-Haim et al. 2003 53:314* Vibrio costicola -> Salinivibrio costicola subsp. costicola Vibrio crassostreae Faury et al. 2004 54:2139* Vibrio cyclitrophicus Hedlund and Staley 2001 (corrig.) 51:65* Vibrio cyclotrophicus see: Vibrio cyclitrophicus Vibrio damsela -> Photobacterium damselae subsp. damselae Vibrio diabolicus Ragu‚nŠs et al. 1997 47:994* Vibrio diazotrophicus Guerinot et al. 1982 32:356* Vibrio ezurae Sawabe et al. 2005 55:1 Vibrio fischeri (Beijerinck 1889) Lehmann and Neumann 1896 30:417 (AL) Vibrio fluvialis Lee et al. 1981 31:217 Vibrio fortis Thompson et al. 2003 53:1499* Vibrio furnissii Brenner et al. 1984 34:91 Vibrio gallicus Sawabe et al. 2004 54:846* Vibrio gazogenes (Harwood et al. 1980) Baumann et al. 1981 31:217 Vibrio gigantis Le Roux et al. 2005 55:2254* Vibrio halioticoli Sawabe et al. 1998 48:578* Vibrio harveyi (Johnson and Shunk 1936) Baumann et al. 1981 31:217 Vibrio hepatarius Thompson et al. 2003 53:1500* Vibrio hispanicus Gomez-Gil et al. 2004 54:264* Vibrio hollisae -> Grimontia hollisae Vibrio ichthyoenteri Ishimura et al. 1996 46:159* Vibrio iliopiscarius -> Photobacterium iliopiscarium Vibrio kanaloae Thompson et al. 2003 53:757* Vibrio lentus Maci n et al. 2001 51:1454* Vibrio logei (Harwood et al. 1980) Baumann et al. 1981 31:217 Vibrio marinus -> Moritella marina Vibrio mediterranei Pujalte and Garay 1986 36:278* Vibrio metschnikovii Gamaleia 1888 30:417 (AL) Vibrio mimicus Davis et al. 1982 32:267 Vibrio mytili Pujalte et al. 1993 43:360* Vibrio natriegens (Payne et al. 1961) Baumann et al. 1981 31:217 Vibrio navarrensis Urdaci et al. 1991 41:293* Vibrio neonatus Sawabe et al. 2005 55:1 Vibrio neptunius Thompson et al. 2003 53:249* Vibrio nereis (Harwood et al. 1980) Baumann et al. 1981 31:217 Vibrio nigripulchritudo (Baumann et al. 1971) Baumann et al. 1981 31:217 Vibrio ordalii Schiewe et al. 1982 32:384 Vibrio orientalis Yang et al. 1983 33:673 Vibrio pacinii Gomez-Gil et al. 2003 53:1572* Vibrio parahaemolyticus (Fujino et al. 1951) Sakazaki et al. 1963 30:417 (AL) Vibrio pectenicida Lambert et al. 1998 48:486* Vibrio pelagius -> Listonella pelagia Vibrio penaeicida Ishimaru et al. 1995 45:138* Vibrio pomeroyi Thompson et al. 2003 53:757* Vibrio ponticus Maci n et al. 2005 55:1 Vibrio proteolyticus (Merkel et al. 1964) Baumann et al. 1982 32:267 Vibrio rotiferianus Gomez-Gil et al. 2003 53:242* Vibrio ruber Shieh et al. 2003 53:483* Vibrio rumoiensis Yumoto et al. 1999 49:935 Vibrio salmonicida Egidius et al. 1986 36:518* Vibrio scophthalmi Cerd…-Cu‚llar et al. 1997 47:60* Vibrio shiloi see: Vibrio shilonii Vibrio shilonii Kushmaro et al. 2001 (corrig.) 51:1387* Vibrio splendidus (Beijerinck 1900) Baumann et al. 1981 31:217 Vibrio succinogenes -> Wolinella succinogenes Vibrio superstes Hayashi et al. 2003 53:1816* Vibrio tapetis Borrego et al. 1996 46:483* Vibrio tasmaniensis Thompson et al. 2003 53:1701 Vibrio trachuri => Vibrio harveyi Vibrio tubiashii Hada et al. 1984 34:2* Vibrio viscosus -> Moritella viscosa Vibrio vulnificus (Reichelt et al. 1979) Farmer 1980 30:656* Vibrio wodanis Lunder et al. 2000 50:447* Vibrio xuii Thompson et al. 2003 53:251* VICTIVALLIS Zoetendal et al. 2003 53:214* Victivallis vadensis Zoetendal et al. 2003 53:214* VIRGIBACILLUS Heyndrickx et al. 1998 emend. Heyrman et al. 2003 48:104* Virgibacillus carmonensis Heyrman et al. 2003 53:507* Virgibacillus dokdonensis Yoon et al. 2005 55:1836* Virgibacillus halodenitrificans (Denariaz et al. 1989) Yoon et al. 2004 54:2166* Virgibacillus koreensis Lee et al. 2006 56:256* Virgibacillus marismortui (Arahal et al. 1999) Heyrman et al. 2003 53:510* Virgibacillus necropolis Heyrman et al. 2003 53:509* Virgibacillus pantothenticus (Proom and Knight 1950) Heyndrickx et al. 1998 emend. Heyndrickx et al. 1999 48:105* Virgibacillus picturae -> Oceanobacillus picturae Virgibacillus proomii Heyndrickx et al. 1999 49:1087* Virgibacillus salexigens (Garabito et al. 1997) Heyrman et al. 2003 53:510* VIRGISPORANGIUM Tamura et al. 2001 (corrig.) 51:1814* Virgisporangium aurantiacum Tamura et al. 2001 (corrig.) 51:1815* Virgisporangium ochraceum Tamura et al. 2001 (corrig.) 51:1815* VIRGOSPORANGIUM see: VIRGISPORANGIUM Virgosporangium aurantiacum see: Virgisporangium aurantiacum Virgosporangium ochraceum see: Virgisporangium ochraceum VITELLIBACTER Nedashkovskaya et al. 2003 53:1285* Vitellibacter vladivostokensis Nedashkovskaya et al. 2003 53:1285* VITREOSCILLA Pringsheim 1949 30:417 (AL) Vitreoscilla beggiatoides Pringsheim 1949 emend. Strohl et al. 1986 30:417 (AL) Vitreoscilla filiformis (ex Pringsheim 1951) Strohl et al. 1986 36:302* Vitreoscilla stercoraria Pringsheim 1951 30:418 (AL) VOGESELLA Grimes et al. 1997 47:25* Vogesella indigofera (Voges 1893) Grimes et al. 1997 47:25* VOLCANIELLA => HALOMONAS Volcaniella eurihalina -> Halomonas eurihalina VOLUCRIBACTER Christensen et al. 2004 54:817* Volucribacter amazonae Christensen et al. 2004 54:817* Volucribacter psittacicida Christensen et al. 2004 54:817* VULCANIBACILLUS L'Haridon et al. 2006 56:1050* Vulcanibacillus modesticaldus L'Haridon et al. 2006 56:1050* VULCANISAETA Itoh et al. 2002 52:1103* Vulcanisaeta distributa Itoh et al. 2002 52:1103* Vulcanisaeta souniana Itoh et al. 2002 52:1103* VULCANITHERMUS Miroshnichenko et al. 2003 53:1147* Vulcanithermus mediatlanticus Miroshnichenko et al. 2003 53:1147* WADDLIA Rurangirwa et al. 1999 49:580* Waddlia chondrophila Rurangirwa et al. 1999 49:580* WAUTERSIA => CUPRIAVIDUS Wautersia basilensis -> Cupriavidus basilensis Wautersia campinensis -> Cupriavidus campinensis Wautersia eutropha => Cupriavidus necator Wautersia gilardii -> Cupriavidus gilardii Wautersia metallidurans -> Cupriavidus metallidurans Wautersia numadzuensis see: Wautersia numazuensis Wautersia numazuensis Kageyama et al. 2005 (corrig.) 55:1396 Wautersia oxalatica -> Cupriavidus oxalaticus Wautersia paucula -> Cupriavidus pauculus Wautersia respiraculi -> Cupriavidus respiraculi Wautersia taiwanensis -> Cupriavidus taiwanensis WAUTERSIELLA K„mpfer et al. 2006 56:2328* Wautersiella falsenii K„mpfer et al. 2006 56:2328* WEEKSELLA Holmes et al. 1987 37:179 Weeksella virosa Holmes et al. 1987 37:179 Weeksella zoohelcum -> Bergeyella zoohelcum WEISSELLA Collins et al. 1994 44:370 Weissella cibaria Bj”rkroth et al. 2002 52:147* Weissella confusa (Holzapfel and Kandler 1969) Collins et al. 1994 44:370 Weissella halotolerans (Kandler et al. 1983) Collins et al. 1994 44:370 Weissella hellenica Collins et al. 1994 44:370 Weissella kandleri (Holzapfel and van Wyk 1983) Collins et al. 1994 44:370 Weissella kimchii => Weissella cibaria Weissella koreensis Lee et al. 2002 52:1260* Weissella minor (Kandler et al. 1983) Collins et al. 1994 44:370 Weissella paramesenteroides (Garvie 1967) Collins et al. 1994 44:370 Weissella soli Magnusson et al. 2002 52:833* Weissella thailandensis Tanasupawat et al. 2000 50:1484* Weissella viridescens (Niven and Evans 1957) Collins et al. 1994 44:370 WIGGLESWORTHIA Aksoy 1995 45:849* Wigglesworthia glossinidia Aksoy 1995 45:849* WILLIAMSIA K„mpfer et al. 1999 49:686* Williamsia deligens Yassin and Hupfer 2006 56:196* Williamsia marianensis Pathom-aree et al. 2006 56:1125* Williamsia maris Stach et al. 2004 54:193* Williamsia muralis K„mpfer et al. 1999 49:686* WINOGRADSKYELLA Nedashkovskaya et al. 2005 55:52* Winogradskyella epiphytica Nedashkovskaya et al. 2005 55:53* Winogradskyella eximia Nedashkovskaya et al. 2005 55:54* Winogradskyella poriferorum Lau et al. 2005 55:1592* Winogradskyella thalassocola Nedashkovskaya et al. 2005 55:53* WOLBACHIA Hertig 1936 30:418 (AL) Wolbachia melophagi (Noller 1917) Philip 1956 30:418 (AL) Wolbachia persica Suitor and Weiss 1961 30:418 (AL) Wolbachia pipientis Hertig 1936 30:418 (AL) WOLINELLA Tanner et al. 1981 31:439* Wolinella curva -> Campylobacter curvus Wolinella recta -> Campylobacter rectus Wolinella succinogenes (Wolin et al. 1961) Tanner et al. 1981 31:439* WOODSHOLEA Abraham et al. 2004 54:1232* Woodsholea maritima Abraham et al. 2004 54:1233* XANTHOBACTER Wiegel et al. 1978 30:418 (AL) Xanthobacter agilis Jenni and Aragno 1988 38:136 Xanthobacter aminoxidans Doronina and Trotsenko 2003 53:181* Xanthobacter autotrophicus (Baumgarten et al. 1974) Wiegel et al. 1978 30:418 (AL) Xanthobacter flavus Malik and Claus 1979 30:418 (AL) Xanthobacter tagetidis Padden et al. 1997 47:400* Xanthobacter viscosus Doronina and Trotsenko 2003 53:181* XANTHOMONAS Dowson 1939 emend. Vauterin et al. 1995 30:418 (AL) Xanthomonas albilineans (Ashby 1929) Dowson 1943 30:418 (AL) Xanthomonas ampelina -> Xylophilus ampelinus Xanthomonas arboricola Vauterin et al. 1995 45:484* Xanthomonas axonopodis Starr and Garces 1950 emend. Vauterin et al. 1995 30:418 (AL) Xanthomonas bromi Vauterin et al. 1995 45:485* Xanthomonas campestris (Pammel 1895) Dowson 1939 emend. Vauterin et al. 1995 30:418 (AL) Xanthomonas cassavae (ex Wiehe and Dowson 1953) Vauterin et al. 1995 45:485* Xanthomonas citri (ex Hasse 1915) Gabriel et al. 1989 39:14* Xanthomonas codiaei Vauterin et al. 1995 45:485* Xanthomonas cucurbitae (ex Bryan 1926) Vauterin et al. 1995 45:485* Xanthomonas cynarae Tr‚baol et al. 2000 50:1476* Xanthomonas euvesicatoria Jones et al. 2006 56:926 Xanthomonas fragariae Kennedy and King 1962 30:418 (AL) Xanthomonas gardneri (ex Sutic 1957) Jones et al. 2006 56:926 Xanthomonas hortorum Vauterin et al. 1995 45:485* Xanthomonas hyacinthi (ex Wakker 1883) Vauterin et al. 1995 45:486* Xanthomonas maltophilia -> Stenotrophomonas maltophilia Xanthomonas melonis Vauterin et al. 1995 45:486* Xanthomonas oryzae (ex Ishiyama 1922) Swings et al. 1990 40:309* Xanthomonas perforans Jones et al. 2006 56:926 Xanthomonas phaseoli (ex Smith 1897) Gabriel et al. 1989 39:14* Xanthomonas pisi (ex Goto and Okabe 1958) Vauterin et al. 1995 45:486* Xanthomonas populi (ex Rid‚ 1958) Rid‚ and Rid‚ 1992 42:652* Xanthomonas saccari Vauterin et al. 1995 45:486* Xanthomonas theicola Vauterin et al. 1995 45:486* Xanthomonas translucens (ex Jones et al. 1917) Vauterin et al. 1995 45:487* Xanthomonas vasicola Vauterin et al. 1995 45:487* Xanthomonas vesicatoria (ex Doidge 1920) Vauterin et al. 1995 45:487* XENOPHILUS Blmel et al. 2001 51:1835* Xenophilus azovorans Blmel et al. 2001 51:1835* XENORHABDUS Thomas and Poinar 1979 emend. Thomas and Poinar 1983 30:418 (AL) Xenorhabdus beddingii (Akhurst 1986) Akhurst and Boemare 1993 43:864 Xenorhabdus bovienii (Akhurst 1983) Akhurst and Boemare 1993 43:864 Xenorhabdus budapestensis Lengyel et al. 2005 55:1396 Xenorhabdus ehlersii Lengyel et al. 2005 55:1396 Xenorhabdus innexi Lengyel et al. 2005 55:1396 Xenorhabdus japonica Nishimura et al. 1995 (corrig.) 45:619 Xenorhabdus japonicus see: Xenorhabdus japonica Xenorhabdus luminescens -> Photorhabdus luminescens subsp. luminescens Xenorhabdus nematophila (Poinar and Thomas 1965) Thomas and Poinar 1979 (corrig.) 30:419 (AL) Xenorhabdus nematophila subsp. beddingii (corrig.) -> Xenorhabdus beddingii Xenorhabdus nematophila subsp. bovienii (corrig.) -> Xenorhabdus bovienii Xenorhabdus nematophila subsp. nematophila (corrig.) -> Xenorhabdus nematophila Xenorhabdus nematophila subsp. poinarii (corrig.) -> Xenorhabdus poinarii Xenorhabdus nematophilus see: Xenorhabdus nematophila Xenorhabdus nematophilus subsp. beddingii see: Xenorhabdus nematophila subsp. beddingii Xenorhabdus nematophilus subsp. bovienii see: Xenorhabdus nematophila subsp. bovienii Xenorhabdus nematophilus subsp. nematophilus see: Xenorhabdus nematophila subsp. nematophila Xenorhabdus nematophilus subsp. poinarii see: Xenorhabdus poinarii Xenorhabdus poinarii (Akhurst 1983) Akhurst and Boemare 1993 43:864 Xenorhabdus szentirmaii Lengyel et al. 2005 55:1396 XYLANIBACTER Ueki et al. 2006 56:2220* Xylanibacter oryzae Ueki et al. 2006 56:2220* XYLANIBACTERIUM Rivas et al. 2004 54:560* Xylanibacterium ulmi Rivas et al. 2004 54:560* XYLANIMICROBIUM Stackebrandt and Schumann 2004 54:1385* Xylanimicrobium pachnodae (Cazemier et al. 2004) Stackebrandt and Schumann 2004 54:1386* XYLANIMONAS Rivas et al. 2003 53:102* Xylanimonas cellulosilytica Rivas et al. 2003 53:103* XYLELLA Wells et al. 1987 37:136* Xylella fastidiosa Wells et al. 1987 37:136* XYLOPHILUS Willems et al. 1987 37:422* Xylophilus ampelinus (Panagopoulos 1969) Willems et al. 1987 37:422* YANGIA Dai et al. 2006 56:531* Yangia pacifica Dai et al. 2006 56:532* YANIA Li et al. 2004 emend. Li et al. 2005 54:530* Yania flava Li et al. 2005 55:1937* Yania halotolerans Li et al. 2004 54:530* YEOSUANA Kwon et al. 2006 56:731* Yeosuana aromativorans Kwon et al. 2006 56:731* YERSINIA van Loghem 1944 30:419 (AL) Yersinia aldovae Bercovier et al. 1984 34:171* Yersinia aleksiciae Sprague and Neubauer 2005 55:834* Yersinia bercovieri Wauters et al. 1988 38:424* Yersinia enterocolitica see: Yersinia enterocolitica subsp. enterocolitica Yersinia enterocolitica subsp. enterocolitica (Schleifstein and Coleman 1939) Frederiksen 1964 30:419 (AL) Yersinia enterocolitica subsp. palearctica Neubauer et al. 2000 50:1415 Yersinia frederiksenii Ursing et al. 1981 31:217 Yersinia intermedia Brenner et al. 1981 31:217 Yersinia kristensenii Bercovier et al. 1981 31:217 Yersinia mollaretii Wauters et al. 1988 38:424* Yersinia pestis (Lehmann and Neumann 1896) van Loghem 1944 30:419 (AL) Yersinia philomiragia -> Francisella philomiragia Yersinia pseudotuberculosis (Pfeiffer 1889) Smith and Thal 1965 30:419 (AL) Yersinia rohdei Aleksic et al. 1987 37:327* Yersinia ruckeri Ewing et al. 1978 30:419 (AL) YOKENELLA Kosako et al. 1985 35:223 Yokenella regensburgei Kosako et al. 1985 35:224 YONGHAPARKIA Yoon et al. 2006 56:2418* Yonghaparkia alkaliphila Yoon et al. 2006 56:2418* ZAVARZINIA Meyer et al. 1994 44:182 Zavarzinia compransoris (ex Nozhevnikova and Zavarzin 1974) Meyer et al. 1994 44:182 ZIMMERMANNELLA = PSEUDOCLAVIBACTER Zimmermannella alba Lin et al. 2004 54:1675* Zimmermannella bifida Lin et al. 2004 54:1675* Zimmermannella faecalis Lin et al. 2004 54:1675* Zimmermannella helvola = Pseudoclavibacter helvolus ZOBELLELLA Lin and Shieh 2006 56:1214* Zobellella denitrificans Lin and Shieh 2006 56:1214* Zobellella taiwanensis Lin and Shieh 2006 56:1214* ZOBELLIA Barbeyron et al. 2001 51:993* Zobellia amurskyensis Nedashkovskaya et al. 2004 54:1647* Zobellia galactanivorans Barbeyron et al. 2001 (corrig.) 51:994* Zobellia galactanovorans see: Zobellia galactanivorans Zobellia laminariae Nedashkovskaya et al. 2004 54:1647* Zobellia russellii Nedashkovskaya et al. 2004 54:1647* Zobellia uliginosa (ZoBell and Upham 1944) Barbeyron et al. 2001 51:995* ZOOGLOEA Itzigsohn 1868 emend. Shin et al. 1993 30:419 (AL) Zoogloea oryzae Xie and Yokota 2006 56:623* Zoogloea ramigera Itzigsohn 1868 30:419 (AL) Zoogloea resiniphila Mohn et al. 1999 49:935 ZOOSHIKELLA Yi et al. 2003 53:1016* Zooshikella ganghwensis Yi et al. 2003 53:1016* ZYMOBACTER Okamoto et al. 1995 45:418 Zymobacter palmae Okamoto et al. 1995 45:418 ZYMOMONAS Kluyver and van Niel 1936 30:419 (AL) Zymomonas mobilis see: Zymomonas mobilis subsp. mobilis Zymomonas mobilis subsp. francensis Coton et al. 2006 56:125* Zymomonas mobilis subsp. mobilis (Lindner 1928) De Ley and Swings 1976 emend. Coton et al. 2006 30:420 (AL) Zymomonas mobilis subsp. pomaceae (Millis 1956) De Ley and Swings 1976 emend. Coton et al. 2006 30:420 (AL) ZYMOPHILUS Schleifer et al. 1990 40:19* Zymophilus paucivorans Schleifer et al. 1990 40:19* Zymophilus raffinosivorans Schleifer et al. 1990 40:19* ./arbsrc_9167/lib/macro.head0000644012664100000130000000026511213220015015617 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } ./arbsrc_9167/lib/macros/ARB/SEQ_DATA/dashes2dots_at_sequenceends_of_marked.amc0000755012664100000130000000551111440743000027156 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } sub message($) { my ($msg) = @_; BIO::message($gb_main, $msg); } sub error($) { my ($msg) = @_; $msg = "Error: ".$msg; ARB::abort_transaction($gb_main); # this undoes all changes made by this script ARB::begin_transaction($gb_main); BIO::message($gb_main, $msg); BIO::message($gb_main, "Script aborted!"); ARB::commit_transaction($gb_main); die $msg; } ARB::begin_transaction($gb_main); my $gb_species = BIO::first_marked_species($gb_main); my $current_alignment = BIO::get_default_alignment($gb_main); my $marked = 0; my $corr_ends = 0; my $corr_species = 0; message("Checking '$current_alignment' sequence ends of marked species.."); SPECIES: while ($gb_species) { $marked++; $gb_species = BIO::next_marked_species($gb_species); last SPECIES if not $gb_species; my $name = BIO::read_name($gb_species); my $gb_sequence = BIO::read_sequence($gb_species, $current_alignment); if ($gb_sequence) { my $sequence = ARB::read_string($gb_sequence); if ($sequence =~ /^([\.-]*)(.*[^\.-])([\.-]*)$/ig) { my $start = $1; my $mid = $2; my $end = $3; my $changed = 0; # translate '-' to '.' at sequence start if ($start =~ /-/) { $start =~ y/-/./; $changed = 1; $corr_ends++; } # translate '-' to '.' at sequence end if ($end =~ /-/) { $end =~ y/-/./; $changed = 1; $corr_ends++; } my $newSequence = $start.$mid.$end; # some safety belts: # # 1. check length my $oldLen = length($sequence); my $newLen = length($newSequence); if ($oldLen != $newLen) { error("sequence length of '$name' has changed"); } # 2. compare checksums my $old_crc = ARB::checksum($sequence,$oldLen,1,".-"); my $new_crc = ARB::checksum($newSequence,$newLen,1,".-"); if ($old_crc != $new_crc) { error("sequence checksum of '$name' changed"); } if ($changed == 1) { # store result in database ARB::write_string($gb_sequence, $newSequence); $corr_species++; } } else { error("Error in regexp - cannot analyze sequence"); } } else { message("Sequence '$name' has no data in alignment '$current_alignment' - skipped."); } } if ($marked) { if ($corr_ends == 0) { message("No sequence ends of your $marked marked species needed correction."); } else { message("Corrected $corr_ends sequence ends of $corr_species sequences (of $marked marked species)."); } } else { message("Please mark all species where sequence ends should be corrected."); } ARB::commit_transaction($gb_main); ARB::close($gb_main); ./arbsrc_9167/lib/macros/replamb.amc0000755012664100000130000000042311440743000017270 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } BIO::remote_awar($gb_main,"ARB_NT","tmp/macro/file_name","./test.amc"); ARB::close($gb_main); ./arbsrc_9167/lib/macros/test.amc0000755012664100000130000000046611440743000016634 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } BIO::remote_action($gb_main,"ARB_NT","probe_match"); BIO::remote_action($gb_main,"ARB_NT","probe_design"); ARB::close($gb_main); ./arbsrc_9167/lib/macros/testwl.amc0000755012664100000130000000164111440743000017173 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } BIO::remote_action($gb_main,"ARB_NT","ARB_NT/SEARCH_SPECIES"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/ere","1"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/ere","0"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/by","2"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/by","1"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/query","a*"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/key","acc"); BIO::remote_awar($gb_main,"ARB_NT","tmp/arbdb_query_0/key","name"); BIO::remote_action($gb_main,"ARB_NT","SPECIES_QUERY/SEARCH"); BIO::remote_action($gb_main,"ARB_NT","SPECIES_QUERY/MARK_LISTED_UNMARK_REST"); BIO::remote_action($gb_main,"ARB_NT","SPECIES_QUERY/CLOSE"); ARB::close($gb_main); ./arbsrc_9167/lib/macros/toggle_color.amc0000755012664100000130000000053011440743000020324 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } $new_val = 1-BIO::remote_read_awar($gb_main,"ARB_NT","color_groups/use"); BIO::remote_awar($gb_main,"ARB_NT","color_groups/use", $new_val); ARB::close($gb_main); ./arbsrc_9167/lib/macros/xopen.amc0000755012664100000130000000206011440743000016776 0ustar arb_buildcoders#!/usr/bin/perl -w use lib "$ENV{'ARBHOME'}/lib/"; use ARB; $gb_main = ARB::open(":","r"); if (! $gb_main ) { $error = ARB::get_error(); print ("$error\n"); exit 0; } BIO::remote_action($gb_main,"ARB_NT","save_all_as"); BIO::remote_action($gb_main,"ARB_NT","optimize_db"); BIO::remote_action($gb_main,"ARB_NT","import_seq"); BIO::remote_action($gb_main,"ARB_NT","Import Sequences in Foreign Format (using readseq: slow !!) ..."); BIO::remote_action($gb_main,"ARB_NT","export_to_ARB"); BIO::remote_action($gb_main,"ARB_NT","export_seqs"); BIO::remote_action($gb_main,"ARB_NT","export_nds"); BIO::remote_action($gb_main,"ARB_NT","Export Sequences Only to Foreign Format (using readseq: slow) ..."); BIO::remote_action($gb_main,"ARB_NT","print_tree"); BIO::remote_action($gb_main,"ARB_NT","Pretty Print Sequences (slow) ..."); BIO::remote_action($gb_main,"ARB_NT","registration"); BIO::remote_action($gb_main,"ARB_NT","bug_report"); BIO::remote_action($gb_main,"ARB_NT","version_info"); BIO::remote_action($gb_main,"ARB_NT","HELP/CLOSE"); ARB::close($gb_main); ./arbsrc_9167/lib/Makefile0000644012664100000130000000056011237014133015341 0ustar arb_buildcodershelp.make: @echo 'options' @echo ' nameserver create nameserver from template' @echo ' tcpdat create arb_tcp.dat from template' @echo '' @echo ' all all above' all: tcpdat nameserver tcpdat: test -e arb_tcp.dat || cp -p arb_tcp_org.dat arb_tcp.dat nameserver: test -L nas && echo "lib/nas is a link - skipped" || \ (cd nas;$(MAKE) all) ./arbsrc_9167/lib/nas/Makefile0000644012664100000130000000032111213220012016102 0ustar arb_buildcoders all: names.dat rm -f *% @chmod 777 . @cp -p names.dat names.dat.make_owner @rm -f names.dat @mv names.dat.make_owner names.dat @chmod 666 names.dat names.dat: names.dat.template rm -f $@ cp $< $@ ./arbsrc_9167/lib/nas/names.dat.template0000644012664100000130000000005311213220012020053 0ustar arb_buildcodersSHORTS1{ IDENT {Escherichia}SHORT {Esche}} ./arbsrc_9167/lib/pictures/ad_align.fig0000644012664100000130000000327011213220012017752 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 630 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 810 4320 3960 4320 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 8955 7650 4 0 -1 0 0 18 14 0.0000 4 195 435 900 1875 $list\001 4 0 -1 0 0 18 13 0.0000 4 180 600 825 975 $close\001 4 1 -1 0 0 18 14 0.0000 4 195 1170 1500 1425 Alignments\001 4 0 -1 0 0 18 12 0.0000 4 135 2655 900 4275 INFO for selected ALIGNMENT:\001 4 0 -1 0 0 18 13 0.0000 4 135 2205 975 5625 Default Write Protection\001 4 0 -1 0 0 18 13 0.0000 4 180 2100 975 4725 Maximum Seq. Length\001 4 0 -1 0 0 18 13 0.0000 4 180 1830 975 5175 Type of Sequences:\001 4 2 -1 0 0 18 14 0.0000 4 195 930 6975 3825 $to:X:list\001 4 2 -1 0 0 18 12 0.0000 4 180 645 7470 975 $X:help\001 4 0 -1 0 0 18 13 0.0000 4 180 390 3645 4800 $len\001 4 0 -1 0 0 18 13 0.0000 4 195 840 3645 5700 $security\001 4 0 -1 0 0 18 13 0.0000 4 195 495 3645 5250 $type\001 4 0 -1 0 0 18 12 0.0000 4 135 1305 975 6045 User Comment\001 4 0 -1 0 0 18 12 0.0000 4 165 450 900 6420 $rem\001 4 2 -1 0 0 18 12 0.0000 4 165 975 8805 7515 $to:XY:rem\001 4 0 -1 0 0 18 13 0.0000 4 195 1230 7110 3375 $X:check_len\001 4 0 -1 0 0 18 13 0.0000 4 195 765 7110 3750 $X:align\001 4 0 -1 0 0 18 13 0.0000 4 180 855 7110 2625 $X:create\001 4 0 -1 0 0 18 13 0.0000 4 195 750 7110 3000 $X:copy\001 4 0 -1 0 0 18 13 0.0000 4 180 855 7110 1875 $X:delete\001 4 0 -1 0 0 18 13 0.0000 4 180 990 7110 2250 $X:rename\001 4 0 -1 0 0 18 13 0.0000 4 180 1365 4905 4725 Sequences are\001 4 0 -1 0 0 18 13 0.0000 4 135 1095 4905 5223 Auto format\001 4 0 -1 0 0 18 13 0.0000 4 195 795 6660 4800 $aligned\001 4 0 -1 0 0 18 13 0.0000 4 195 1215 6660 5296 $auto_format\001 ./arbsrc_9167/lib/pictures/ad_al_si3.fig0000644012664100000130000000143011213220012020026 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1440 2700 4140 2925 4 0 -1 0 0 18 13 0.0000 4 195 690 1440 2880 $input1\001 4 0 -1 0 0 18 13 0.0000 4 195 690 3420 2880 $input2\001 -6 6 1485 3690 5130 3915 4 2 -1 0 0 18 13 0.0000 4 180 600 5100 3885 $close\001 4 0 -1 0 0 18 13 0.0000 4 180 330 1500 3885 $ok\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 4650 1875 4650 1275 1950 1275 1950 1875 4650 1875 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 5400 4230 5400 600 1200 600 1200 4230 5400 4230 4 1 -1 0 0 18 13 0.0000 4 180 555 3300 900 $label\001 4 1 -1 0 0 18 13 0.0000 4 195 585 3225 1725 $input\001 4 0 -1 0 0 18 13 0.0000 4 180 660 1440 2430 $label1\001 4 0 -1 0 0 18 13 0.0000 4 180 660 3420 2430 $label2\001 4 0 -1 0 0 18 13 0.0000 4 195 690 1440 3375 $toggle\001 ./arbsrc_9167/lib/pictures/ad_al_si.fig0000644012664100000130000000071611213220012017751 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 5400 2550 5400 600 1200 600 1200 2550 5400 2550 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 4650 1875 4650 1275 1950 1275 1950 1875 4650 1875 4 2 -1 0 0 18 13 0.0000 4 180 600 5100 2400 $close\001 4 0 -1 0 0 18 13 0.0000 4 180 330 1500 2400 $ok\001 4 1 -1 0 0 18 13 0.0000 4 180 555 3285 990 $label\001 4 1 -1 0 0 18 13 0.0000 4 195 585 3285 1710 $input\001 ./arbsrc_9167/lib/pictures/ad_conv.fig0000644012664100000130000000115711213220012017627 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 75 4 0 -1 0 0 18 13 0.0000 4 210 675 1425 525 $close\001 4 2 -1 0 0 18 13 0.0000 4 225 780 9630 525 $X:help\001 4 2 -1 0 0 18 13 0.0000 4 210 1350 6255 5325 $to:Y:source\001 4 0 -1 0 0 18 13 0.0000 4 210 840 1470 1425 $source\001 4 0 -1 0 0 18 13 0.0000 4 165 1635 1470 975 Field to convert\001 4 0 -1 0 0 18 13 0.0000 4 210 1140 6660 5310 $Y:convert\001 4 0 -1 0 0 18 13 0.0000 4 225 870 6660 1440 $typesel\001 4 0 -1 0 0 18 13 0.0000 4 210 1815 6660 990 Convert into type\001 ./arbsrc_9167/lib/pictures/ad_delof.fig0000644012664100000130000000150611213220012017751 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 300 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6000 7200 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1860 1065 5355 1065 4 0 -1 0 0 18 13 0.0000 4 180 735 1350 1875 $source\001 4 0 -1 0 0 18 12 0.0000 4 135 1290 1350 1500 Possible Fields\001 4 0 -1 0 0 18 13 0.0000 4 180 600 1350 750 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 5775 750 $help\001 4 0 -1 0 0 18 13 0.0000 4 180 705 1500 6450 $Y:hide\001 4 0 -1 0 0 18 13 0.0000 4 180 645 3675 6450 $Y:delf\001 4 2 -1 0 0 18 13 0.0000 4 180 885 5700 6975 $to:Y:delf\001 4 2 -1 0 0 18 13 0.0000 4 180 1305 5775 6000 $to:XY:source\001 4 1 -1 0 0 18 12 0.0000 4 135 3090 3600 990 Hide or delete a field in the database\001 4 0 -1 0 0 18 13 0.0000 4 180 945 1500 6885 $Y:unhide\001 ./arbsrc_9167/lib/pictures/ad_ext.fig0000644012664100000130000000261311440743000017471 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1725 1200 5775 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 300 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6675 8400 4 0 -1 0 0 18 13 0.0000 4 180 390 900 1800 $list\001 4 0 -1 0 0 18 13 0.0000 4 180 855 4800 2175 $X:delete\001 4 0 -1 0 0 18 13 0.0000 4 180 990 4800 2550 $X:rename\001 4 0 -1 0 0 18 13 0.0000 4 195 750 4800 2925 $X:copy\001 4 0 -1 0 0 18 13 0.0000 4 180 465 825 5625 $info\001 4 2 -1 0 0 18 13 0.0000 4 180 1095 6600 2175 $to:X:delete\001 4 2 -1 0 0 18 13 0.0000 4 180 1230 6600 2550 $to:X:rename\001 4 2 -1 0 0 18 12 0.0000 4 165 1140 6600 3375 $to:X:remark\001 4 2 -1 0 0 18 13 0.0000 4 180 1035 6600 8325 $to:XY:info\001 4 0 -1 0 0 18 13 0.0000 4 195 855 4800 3750 $X:group\001 4 2 -1 0 0 18 13 0.0000 4 195 1095 6600 3825 $to:X:group\001 4 0 -1 0 0 18 13 0.0000 4 195 1230 4800 4200 $X:makespec\001 4 2 -1 0 0 18 13 0.0000 4 195 1470 6600 4350 $to:X:makespec\001 4 0 -1 0 0 18 13 0.0000 4 135 780 825 5250 Info Box\001 4 0 -1 0 0 18 13 0.0000 4 180 600 900 750 $close\001 4 2 -1 0 0 18 13 0.0000 4 195 705 6615 750 $X:help\001 4 2 -1 0 0 18 13 0.0000 4 195 990 6600 2925 $to:X:copy\001 4 0 -1 0 0 18 12 0.0000 4 165 915 4800 3375 $X:remark\001 4 1 -1 0 0 18 15 0.0000 4 225 3660 3750 1125 Sequence Associated Information\001 4 2 -1 0 0 18 13 0.0000 4 180 825 4575 4800 $to:X:list\001 ./arbsrc_9167/lib/pictures/ad_fcrea.fig0000644012664100000130000000042311213220012017735 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 319 289 319 39 39 39 39 289 319 289 9999 9999 4 0 0 12 0 -1 0 0.00000 4 16 30 49 79 $input 4 0 0 12 0 -1 0 0.00000 4 16 26 49 119 $type 4 0 0 12 0 -1 0 0.00000 4 16 18 49 279 $ok 4 2 0 12 0 -1 0 0.00000 4 16 30 309 279 $close ./arbsrc_9167/lib/pictures/ad_kreo.fig0000644012664100000130000000152611213220012017622 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 75 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 9900 6435 4 0 -1 0 0 18 13 0.0000 4 135 630 1425 975 $source\001 4 0 -1 0 0 18 13 0.0000 4 135 540 1425 525 $close\001 4 0 -1 0 0 18 13 0.0000 4 150 630 1530 5775 $Y:doit\001 4 2 -1 0 0 18 13 0.0000 4 150 900 3375 6150 $to:Y:doit\001 4 2 -1 0 0 18 13 0.0000 4 150 990 9630 5310 $to:XY:dest\001 4 0 -1 0 0 18 13 0.0000 4 135 450 5760 975 $dest\001 4 2 -1 0 0 18 13 0.0000 4 150 1080 5445 5325 $to:Y:source\001 4 0 -1 0 0 18 13 0.0000 4 150 720 5715 5775 $Y:doit2\001 4 2 -1 0 0 18 13 0.0000 4 150 990 7560 6150 $to:Y:doit2\001 4 0 -1 0 0 18 13 0.0000 4 150 720 7785 5775 $Y:doit3\001 4 2 -1 0 0 18 13 0.0000 4 150 990 9630 6150 $to:Y:doit3\001 4 2 -1 0 0 18 13 0.0000 4 165 450 9630 525 $help\001 ./arbsrc_9167/lib/pictures/ad_mset.fig0000644012664100000130000000171411213220012017631 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 2 -1 0 0 0 0.000 -1 0 0 159 104 319 104 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 479 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 89 64 $close 4 0 18 12 0 -1 0 0.00000 4 15 31 319 64 $help 4 2 18 12 0 -1 0 0.00000 4 15 46 389 64 $to:help 4 1 18 12 0 -1 0 0.00000 4 15 166 239 99 Set one field of listed species 4 0 18 12 0 -1 0 0.00000 4 15 98 89 139 Select field name 4 0 18 13 0 -1 0 0.00000 4 17 30 239 144 $box 4 0 18 12 0 -1 0 0.00000 4 15 122 94 319 Enter new field value: 4 2 18 13 0 -1 0 0.00000 4 17 56 159 64 $to:close 4 0 18 13 0 -1 0 0.00000 4 17 36 94 439 $Y:do 4 2 18 13 0 -1 0 0.00000 4 17 52 224 469 $to:Y:do 4 0 18 13 0 -1 0 0.00000 4 17 66 254 439 $XY:create 4 2 18 13 0 -1 0 0.00000 4 17 82 384 469 $to:XY:create 4 2 18 13 0 -1 0 0.00000 4 17 63 389 399 $to:XY:val 4 2 18 13 0 -1 0 0.00000 4 17 68 384 294 $to:XY:box 4 0 18 13 0 -1 0 0.00000 4 17 38 119 354 $Y:val ./arbsrc_9167/lib/pictures/ad_query.fig0000644012664100000130000000514311213220012020026 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 4635 360 6525 630 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4680 600 6480 600 4 1 -1 0 0 18 12 0.0000 4 165 2145 5580 525 DATABASE SEARCH\001 -6 6 7920 5760 10080 6255 4 0 -1 0 0 18 13 0.0000 4 210 1110 7920 5940 $X:domark\001 4 2 -1 0 0 0 12 0.0000 4 180 1200 10080 6210 $to:X:domark\001 -6 6 7920 6390 10080 6885 4 0 -1 0 0 18 13 0.0000 4 210 1380 7920 6570 $X:dounmark\001 4 2 -1 0 0 0 12 0.0000 4 180 1410 10080 6840 $to:X:dounmark\001 -6 6 7920 7020 10080 8145 6 7920 7020 10080 7515 4 0 -1 0 0 18 13 0.0000 4 210 1230 7920 7200 $X:dodelete\001 4 2 -1 0 0 0 12 0.0000 4 180 1275 10080 7470 $to:X:dodelete\001 -6 6 7920 7650 10080 8145 4 0 -1 0 0 18 13 0.0000 4 210 915 7920 7830 $X:doset\001 4 2 -1 0 0 0 12 0.0000 4 180 1005 10080 8100 $to:X:doset\001 -6 -6 6 7920 8235 10080 8685 4 2 -1 0 0 0 12 0.0000 4 210 1515 10080 8640 $to:X:openparser\001 4 0 -1 0 0 18 12 0.0000 4 225 1530 7920 8370 $X:openparser\001 -6 6 1035 5670 2790 6345 4 0 -1 0 0 18 13 0.0000 4 210 720 1200 6300 $result\001 4 0 -1 0 0 18 12 0.0000 4 165 780 1050 5865 HITLIST\001 4 0 -1 0 0 18 13 0.0000 4 210 720 2160 5850 $count\001 -6 6 1440 4950 4230 5175 4 0 -1 0 0 18 13 0.0000 4 225 990 1455 5100 $doquery\001 4 2 -1 0 0 18 12 0.0000 4 225 1275 4230 5100 $to:doquery\001 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1200 2175 10170 2175 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 975 75 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1200 5400 10170 5400 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 10305 10080 4 0 -1 0 0 18 12 0.0000 4 165 795 1050 2475 QUERY\001 4 0 -1 0 0 18 13 0.0000 4 210 675 1200 525 $close\001 4 0 -1 0 0 18 13 0.0000 4 210 570 1200 1125 $ere3\001 4 2 -1 0 0 18 12 0.0000 4 225 570 10065 525 $help\001 4 0 -1 0 0 18 13 0.0000 4 225 495 7140 1125 $by3\001 4 0 -1 0 0 18 13 0.0000 4 210 855 4050 1125 $where3\001 4 0 -1 0 0 18 13 0.0000 4 210 570 2565 1125 $ere2\001 4 0 -1 0 0 18 13 0.0000 4 225 495 6075 1125 $by2\001 4 0 -1 0 0 18 12 0.0000 4 165 1350 2475 2700 Search fields\001 4 0 -1 0 0 18 12 0.0000 4 210 1530 5535 2700 Search strings\001 4 0 -1 0 0 18 13 0.0000 4 210 915 5535 3165 $content\001 4 0 -1 0 0 18 13 0.0000 4 225 630 1170 3165 $qbox\001 4 2 -1 0 0 18 13 0.0000 4 210 1365 7560 9360 $to:XY:result\001 4 0 -1 0 0 18 13 0.0000 4 210 1350 1275 9960 $Y:dorefresh\001 4 2 -1 0 0 18 13 0.0000 4 225 1245 10065 4995 $X:doconfig\001 4 2 -1 0 0 18 13 0.0000 4 210 1410 10080 3315 $to:X:content\001 4 2 -1 0 0 18 12 0.0000 4 210 1635 3060 9960 $to:Y:dorefresh\001 4 0 -1 0 0 18 12 0.0000 4 165 4290 3645 9765 Y:Note: double click item to mark/unmark\001 ./arbsrc_9167/lib/pictures/ad_selManNam.fig0000644012664100000130000000171311213220012020533 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 6 1845 3150 990 3150 990 5940 6615 5940 6615 3195 5625 3195 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7018 6570 7018 570 630 570 630 6570 7018 6570 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 6 2700 1260 720 1260 720 6480 6930 6480 6930 1260 4950 1260 4 2 -1 0 0 18 12 0.0000 4 180 465 6885 990 $help\001 4 0 -1 0 0 18 13 0.0000 4 195 675 855 990 $close\001 4 0 -1 0 0 18 14 0.0000 4 195 1050 1305 3690 $nameList\001 4 1 -1 0 0 2 18 0.0000 4 150 1845 3825 1305 List of Valid Names\001 4 2 -1 0 0 18 14 0.0000 4 195 1335 5130 5805 $to:nameList\001 4 1 -1 0 0 2 16 0.0000 4 195 3015 3780 3240 Select Appropriate Valid Name \001 4 1 -1 0 0 18 13 0.0000 4 195 735 5850 3825 $select\001 4 1 -1 0 0 18 13 0.0000 4 165 1125 1530 1710 search for:\001 4 1 -1 0 0 18 13 0.0000 4 195 1515 5310 1710 $to:enterInitial\001 4 1 -1 0 0 18 13 0.0000 4 195 1230 2160 1710 $enterInitial\001 ./arbsrc_9167/lib/pictures/ad_spec.fig0000644012664100000130000000175511213220012017620 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 450 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6990 10650 4 0 -1 0 0 18 13 0.0000 4 195 555 750 2175 $field\001 4 0 -1 0 0 18 13 0.0000 4 195 495 750 4605 $box\001 4 0 -1 0 0 18 12 0.0000 4 135 1725 750 4155 DATABASE FIELDS\001 4 2 -1 0 0 18 12 0.0000 4 180 465 6840 900 $help\001 4 2 -1 0 0 18 13 0.0000 4 195 1140 6840 10500 $to:XY:box\001 4 2 -1 0 0 18 13 0.0000 4 195 1050 6840 3705 $to:X:field\001 4 0 -1 0 0 18 12 0.0000 4 165 705 3645 900 $search\001 4 0 -1 0 0 18 13 0.0000 4 210 4575 750 1725 Edit box (select a field and edit it in this box)\001 4 0 -1 0 0 18 13 0.0000 4 195 675 750 900 $close\001 4 0 -1 0 0 18 13 0.0000 4 195 810 2145 1350 $enable\001 4 0 -1 0 0 18 12 0.0000 4 135 1260 750 1275 Edit enabled ?\001 4 2 -1 0 0 18 13 0.0000 4 195 630 4335 1350 $mark\001 4 0 -1 0 0 18 12 0.0000 4 135 840 2985 1275 Marked ?\001 4 0 -1 0 0 18 12 0.0000 4 165 705 1710 900 $detach\001 ./arbsrc_9167/lib/pictures/ad_spec_nn.fig0000644012664100000130000000336311213220012020310 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 5400 1440 6975 1620 4 2 -1 0 0 18 12 0.0000 4 180 885 6975 1575 $to:X:help\001 4 0 -1 0 0 18 12 0.0000 4 180 645 5400 1575 $X:help\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7110 10485 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1575 $close\001 4 1 -1 0 0 18 12 0.0000 4 180 4335 4200 1935 Search the nearest relatives of selected species\001 4 0 -1 0 0 18 12 0.0000 4 135 960 1350 2610 PT-server:\001 4 0 -1 0 0 18 12 0.0000 4 180 1110 1350 3060 Oligo length:\001 4 0 -1 0 0 18 12 0.0000 4 180 870 2925 3060 $oligo_len\001 4 0 -1 0 0 18 12 0.0000 4 135 1140 1350 3510 Mismatches:\001 4 0 -1 0 0 18 12 0.0000 4 165 1185 2925 3510 $mismatches\001 4 0 -1 0 0 18 12 0.0000 4 135 1230 1350 3960 Search mode:\001 4 0 -1 0 0 18 12 0.0000 4 165 585 2925 3960 $mode\001 4 0 -1 0 0 18 12 0.0000 4 180 975 2925 2655 $pt_server\001 4 0 -1 0 0 18 12 0.0000 4 135 1170 1350 4410 Match score:\001 4 0 -1 0 0 18 12 0.0000 4 165 600 2925 4410 $score\001 4 0 -1 0 0 18 12 0.0000 4 180 1155 1350 4860 Complement:\001 4 0 -1 0 0 18 12 0.0000 4 180 630 2925 4860 $compl\001 4 0 -1 0 0 18 12 0.0000 4 135 735 1350 5310 Results:\001 4 0 -1 0 0 18 12 0.0000 4 165 720 2925 5310 $results\001 4 0 -1 0 0 18 12 0.0000 4 180 930 2925 5805 $hit_count\001 4 0 -1 0 0 18 12 0.0000 4 135 420 1350 5760 Hits:\001 4 0 -1 0 0 18 12 0.0000 4 165 435 1395 6255 $hits\001 4 2 -1 0 0 18 12 0.0000 4 165 975 6975 9855 $to:XY:hits\001 4 2 -1 0 0 18 12 0.0000 4 180 735 3090 10335 $to:Y:go\001 4 0 -1 0 0 18 12 0.0000 4 165 780 3960 10335 $Y:move\001 4 0 -1 0 0 18 12 0.0000 4 180 495 1440 10335 $Y:go\001 4 2 -1 0 0 18 12 0.0000 4 165 1020 6255 10335 $to:Y:move\001 ./arbsrc_9167/lib/pictures/ad_spec_nnm.fig0000644012664100000130000000370611213220012020466 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 5400 1440 6975 1620 4 2 -1 0 0 18 12 0.0000 4 180 885 6975 1575 $to:X:help\001 4 0 -1 0 0 18 12 0.0000 4 180 645 5400 1575 $X:help\001 -6 6 1350 6525 7110 9090 6 2925 8775 4590 9000 4 0 -1 0 0 18 12 0.0000 4 180 495 2925 8940 $Y:go\001 4 2 -1 0 0 18 12 0.0000 4 180 735 4575 8940 $to:Y:go\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7110 9090 4 0 -1 0 0 18 12 0.0000 4 135 885 1350 6660 Dest Field\001 4 0 -1 0 0 18 12 0.0000 4 165 480 2925 6705 $field\001 4 2 -1 0 0 18 12 0.0000 4 165 1020 6975 8460 $to:XY:field\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1575 $close\001 4 1 -1 0 0 18 12 0.0000 4 180 4545 4200 1935 Search the nearest relatives of each listed species\001 4 1 -1 0 0 18 12 0.0000 4 135 3600 4200 2205 and write each result to a database field\001 4 0 -1 0 0 18 12 0.0000 4 135 960 1350 2610 PT-server:\001 4 0 -1 0 0 18 12 0.0000 4 180 1110 1350 3060 Oligo length:\001 4 0 -1 0 0 18 12 0.0000 4 180 870 2925 3060 $oligo_len\001 4 0 -1 0 0 18 12 0.0000 4 135 1140 1350 3510 Mismatches:\001 4 0 -1 0 0 18 12 0.0000 4 165 1185 2925 3510 $mismatches\001 4 0 -1 0 0 18 12 0.0000 4 135 1230 1350 3960 Search mode:\001 4 0 -1 0 0 18 12 0.0000 4 165 585 2925 3960 $mode\001 4 0 -1 0 0 18 12 0.0000 4 180 975 2925 2655 $pt_server\001 4 0 -1 0 0 18 12 0.0000 4 180 1155 1350 4860 Complement:\001 4 0 -1 0 0 18 12 0.0000 4 180 630 2925 4860 $compl\001 4 0 -1 0 0 18 12 0.0000 4 135 1170 1350 4410 Match score:\001 4 0 -1 0 0 18 12 0.0000 4 165 600 2925 4410 $score\001 4 0 -1 0 0 18 12 0.0000 4 135 690 1350 5310 Entries:\001 4 0 -1 0 0 18 12 0.0000 4 165 720 2925 5310 $entries\001 4 0 -1 0 0 18 12 0.0000 4 135 1005 1350 5760 Add score?\001 4 0 -1 0 0 18 12 0.0000 4 180 1020 2925 5760 $add_score\001 4 0 -1 0 0 18 12 0.0000 4 135 930 1350 6210 Min score:\001 4 0 -1 0 0 18 12 0.0000 4 180 1020 2925 6210 $min_score\001 ./arbsrc_9167/lib/pictures/ad_table_admin.fig0000644012664100000130000000262411213220012021121 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 2 -1 0 0 0 0.000 -1 0 0 204 84 269 84 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 54 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 444 499 444 504 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 49 79 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 429 79 $help 4 0 18 13 0 -1 0 0.00000 4 15 27 44 139 $list 4 0 18 13 0 -1 0 0.00000 4 17 57 329 139 $X:delete 4 0 18 13 0 -1 0 0.00000 4 17 66 329 164 $X:rename 4 0 18 13 0 -1 0 0.00000 4 17 50 329 189 $X:copy 4 2 18 13 0 -1 0 0.00000 4 17 73 429 139 $to:X:delete 4 2 18 13 0 -1 0 0.00000 4 17 82 429 164 $to:X:rename 4 2 18 13 0 -1 0 0.00000 4 17 66 429 189 $to:X:copy 4 0 0 12 0 -1 0 0.00000 4 15 39 329 214 $X:cmp 4 2 0 12 0 -1 0 0.00000 4 15 52 429 214 $to:X:cmp 4 2 18 13 0 -1 0 0.00000 4 17 55 314 319 $to:X:list 4 0 18 12 0 -1 0 0.00000 4 15 87 54 384 User Comment 4 2 18 12 0 -1 0 0.00000 4 15 65 434 499 $to:XY:rem 4 0 18 12 0 -1 0 0.00000 4 15 30 54 414 $rem 4 0 18 12 0 -1 0 0.00000 4 15 56 329 264 $X:export 4 0 18 12 0 -1 0 0.00000 4 15 56 329 289 $X:import 4 2 18 12 0 -1 0 0.00000 4 15 71 429 264 $to:X:export 4 2 18 12 0 -1 0 0.00000 4 15 71 429 289 $to:X:import 4 0 18 12 0 -1 0 0.00000 4 15 51 329 239 $X:move 4 2 18 12 0 -1 0 0.00000 4 15 66 429 239 $to:X:move 4 1 18 15 0 -1 0 0.00000 4 17 93 234 79 Admin Tables 4 0 18 12 0 -1 0 0.00000 4 15 180 49 349 INFO BOX for selected TABLE 4 1 18 13 0 -1 0 0.00000 4 15 39 59 109 Tables ./arbsrc_9167/lib/pictures/ad_table_fields.fig0000644012664100000130000000301211213220012021267 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 2 -1 0 0 0 0.000 -1 0 0 204 84 269 84 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 54 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 444 499 444 504 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 49 79 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 429 79 $help 4 0 18 13 0 -1 0 0.00000 4 15 27 44 139 $list 4 1 18 13 0 -1 0 0.00000 4 15 86 59 109 Fields of Table 4 1 18 15 0 -1 0 0.00000 4 17 87 234 79 $table_name 4 2 18 13 0 -1 0 0.00000 4 17 55 314 319 $to:X:list 4 0 18 12 0 -1 0 0.00000 4 15 163 49 349 INFO BOX for selected TREE 4 0 18 12 0 -1 0 0.00000 4 15 87 54 384 User Comment 4 2 18 12 0 -1 0 0.00000 4 15 65 434 499 $to:XY:rem 4 0 18 12 0 -1 0 0.00000 4 15 30 54 414 $rem 4 0 18 12 0 -1 0 0.00000 4 15 56 329 264 $X:export 4 0 18 12 0 -1 0 0.00000 4 15 56 329 289 $X:import 4 0 18 12 0 -1 0 0.00000 4 15 40 329 314 $X:last 4 2 18 12 0 -1 0 0.00000 4 15 71 429 264 $to:X:export 4 2 18 12 0 -1 0 0.00000 4 15 71 429 289 $to:X:import 4 2 18 12 0 -1 0 0.00000 4 15 55 429 314 $to:X:last 4 0 18 13 0 -1 0 0.00000 4 15 57 329 139 $X:create 4 2 18 13 0 -1 0 0.00000 4 15 73 429 139 $to:X:create 4 0 18 13 0 -1 0 0.00000 4 15 43 329 164 $X:hide 4 2 18 13 0 -1 0 0.00000 4 15 59 429 164 $to:X:hide 4 0 18 13 0 -1 0 0.00000 4 15 55 329 189 $X:delete 4 2 18 13 0 -1 0 0.00000 4 15 71 429 189 $to:X:delete 4 0 0 12 0 -1 0 0.00000 4 15 42 329 214 $X:copy 4 2 0 12 0 -1 0 0.00000 4 15 55 429 214 $to:X:copy 4 0 18 12 0 -1 0 0.00000 4 15 62 329 239 $X:reorder 4 2 18 12 0 -1 0 0.00000 4 15 78 429 239 $to:X:reorder ./arbsrc_9167/lib/pictures/ad_tree_cmp.fig0000644012664100000130000000212111213220012020450 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1170 720 7650 1170 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 750 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1125 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 7650 1125 $help\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7830 9090 2 1 0 2 0 7 100 0 -1 0.000 0 0 -1 0 0 2 1620 3150 7560 3150 2 1 0 2 0 7 100 0 -1 0.000 0 0 -1 0 0 2 1620 1530 7560 1530 4 0 -1 0 0 18 12 0.0000 4 180 2595 1275 3510 Source Tree (with node info)\001 4 0 -1 0 0 18 12 0.0000 4 180 3225 4650 3510 Destination Tree (will get node info)\001 4 0 -1 0 0 18 12 0.0000 4 165 570 1275 3855 $tree1\001 4 2 -1 0 0 18 12 0.0000 4 165 1110 7650 8430 $to:XY:tree2\001 4 2 -1 0 0 18 12 0.0000 4 165 990 4425 8430 $to:Y:tree1\001 4 0 -1 0 0 18 12 0.0000 4 165 570 4650 3855 $tree2\001 4 2 -1 0 0 18 12 0.0000 4 165 840 3960 2070 $to:move\001 4 0 -1 0 0 18 12 0.0000 4 165 600 2070 2070 $move\001 4 0 -1 0 0 18 12 0.0000 4 180 480 2070 2520 $cmp\001 4 2 -1 0 0 18 12 0.0000 4 180 720 3960 2520 $to:cmp\001 4 0 -1 0 0 18 12 0.0000 4 180 1245 2070 2880 $only_marked\001 ./arbsrc_9167/lib/pictures/ad_tree.fig0000644012664100000130000000344511213220012017623 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 4815 1440 7380 1710 4 0 -1 0 0 18 13 0.0000 4 135 1575 4830 1590 Protection Level:\001 4 2 -1 0 0 18 13 0.0000 4 195 840 7380 1665 $security\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 825 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 8910 8280 4 0 -1 0 0 18 13 0.0000 4 180 600 750 1200 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 645 8610 1200 $X:help\001 4 0 -1 0 0 18 13 0.0000 4 135 510 825 4680 Trees\001 4 0 -1 0 0 18 12 0.0000 4 165 450 810 2070 $rem\001 4 0 -1 0 0 18 13 0.0000 4 180 390 825 5085 $list\001 4 0 -1 0 0 18 12 0.0000 4 135 3210 825 1665 Information about tree selected below\001 4 2 -1 0 0 18 13 0.0000 4 180 960 6165 8055 $to:XY:list\001 4 0 -1 0 0 18 13 0.0000 4 180 855 6435 4980 $X:delete\001 4 0 -1 0 0 18 13 0.0000 4 180 990 6435 5355 $X:rename\001 4 0 -1 0 0 18 13 0.0000 4 195 750 6435 5730 $X:copy\001 4 0 -1 0 0 0 12 0.0000 4 180 570 6435 6105 $X:cmp\001 4 0 -1 0 0 18 12 0.0000 4 180 840 6435 6855 $X:export\001 4 0 -1 0 0 18 12 0.0000 4 180 840 6435 7230 $X:import\001 4 0 -1 0 0 18 12 0.0000 4 165 765 6435 6480 $X:move\001 4 2 -1 0 0 18 13 0.0000 4 180 1095 8685 4980 $to:X:delete\001 4 2 -1 0 0 18 13 0.0000 4 180 1230 8685 5355 $to:X:rename\001 4 2 -1 0 0 18 13 0.0000 4 195 990 8685 5730 $to:X:copy\001 4 2 -1 0 0 0 12 0.0000 4 180 750 8685 6105 $to:X:cmp\001 4 2 -1 0 0 18 12 0.0000 4 180 1065 8685 6855 $to:X:export\001 4 2 -1 0 0 18 12 0.0000 4 180 1065 8685 7230 $to:X:import\001 4 2 -1 0 0 18 12 0.0000 4 165 990 8685 6480 $to:X:move\001 4 0 -1 0 0 18 12 0.0000 4 180 510 2000 4680 $upall\001 4 0 -1 0 0 18 12 0.0000 4 165 555 3000 4680 $down\001 4 0 -1 0 0 18 12 0.0000 4 165 750 3500 4680 $downall\001 4 2 -1 0 0 18 12 0.0000 4 165 855 8685 4320 $to:X:rem\001 4 0 -1 0 0 18 12 0.0000 4 180 315 2500 4680 $up\001 ./arbsrc_9167/lib/pictures/arb_intro.fig0000644012664100000130000000523011440743000020202 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 8010 5175 9315 5445 4 0 -1 0 0 18 12 0.0000 4 135 495 8025 5340 Suffix\001 4 0 -1 0 0 18 12 0.0000 4 180 495 8550 5415 $filter\001 4 2 -1 0 0 18 12 0.0000 4 180 720 9300 5415 $to:filter\001 -6 6 2655 2025 8235 2295 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2700 2250 8190 2250 4 1 -1 0 0 18 14 0.0000 4 210 5070 5400 2175 ARB - A Software Environment for Sequence Data\001 -6 6 1800 10890 9090 11250 4 0 -1 0 0 18 10 0.0000 4 135 7095 1800 11025 Y:Wolfgang Ludwig, Oliver Strunk, Ralf Westram, Lothar Richter, Harald Meier, Yadhukumar et al.\001 4 0 -1 0 0 18 10 0.0000 4 135 7260 1800 11205 Y:ARB: a software environment for sequence data. Nucleic Acids Research. 2004. 32(4):1363-1371.\001 -6 2 1 0 1 0 7 100 0 -1 0.000 0 0 -1 0 0 1 1170 540 2 1 0 1 0 7 100 0 -1 0.000 0 0 -1 0 0 3 1350 10530 1350 4950 9090 4950 2 1 0 1 0 7 100 0 -1 0.000 0 0 -1 0 0 3 1350 4950 1350 4230 9090 4230 2 1 0 1 0 7 100 0 -1 0.000 0 0 -1 0 0 1 9630 11340 4 0 -1 0 0 18 12 0.0000 4 180 570 1425 1050 $close\001 4 2 -1 0 0 18 12 0.0000 4 195 465 9450 1050 $help\001 4 2 -1 0 0 18 12 0.0000 4 180 945 9375 9990 $to:XY:box\001 4 0 -1 0 0 18 12 0.0000 4 195 840 9150 10440 $Y:expert\001 4 0 -1 0 0 18 12 0.0000 4 180 420 1500 5865 $box\001 4 0 -1 0 0 18 12 0.0000 4 195 2970 1500 5340 Existing Files (f) and Directories (D)\001 4 0 -1 0 0 18 12 0.0000 4 180 540 1620 10395 $Y:old\001 4 0 -1 0 0 18 12 0.0000 4 180 540 4725 10388 $Y:del\001 4 0 -1 0 0 18 12 0.0000 4 195 1290 1620 4725 $new_complex\001 4 0 -1 0 0 18 12 0.0000 4 195 660 4455 4725 $merge\001 4 1 -1 0 0 18 12 0.0000 4 150 750 7140 2865 Authors:\001 4 1 -1 0 0 18 12 0.0000 4 195 465 5265 945 $logo\001 4 1 -1 0 0 18 12 0.0000 4 195 2055 2745 3870 http://www.arb-home.de/\001 4 1 -1 0 0 18 12 0.0000 4 195 915 2745 2970 $copyright\001 4 1 -1 0 0 18 12 0.0000 4 195 2370 2745 3150 Department of Microbiology\001 4 1 -1 0 0 18 10 0.0000 4 135 2265 2745 3375 Technical University of Munich\001 4 1 -1 0 0 18 10 0.0000 4 135 675 2745 3555 Germany\001 4 1 -1 0 0 18 11 0.0000 4 150 2070 7140 3345 Harald Meier, Yadhukumar\001 4 1 -1 0 0 18 12 0.0000 4 195 3915 7140 3135 Ralf Westram, Oliver Strunk, Wolfgang Ludwig\001 4 1 -1 0 0 18 10 0.0000 4 105 2070 7140 3960 Lead tester: F. O. Gloeckner\001 4 1 -1 0 0 18 10 0.0000 4 135 3615 7140 3780 L. Richter, T.Ginhart, S.Gerbers, J. Huber, R.Jost,\001 4 1 -1 0 0 18 10 0.0000 4 135 3285 7140 3555 K. Bader, E. Pruesse, C. Hodges, J. Boehnel,\001 4 1 -1 0 0 18 12 0.0000 4 180 750 5265 2610 $version\001 4 0 -1 0 0 18 12 0.0000 4 195 1890 7350 10365 Y:Enable Expert Mode\001 4 0 -1 0 0 18 10 0.0000 4 135 2130 1440 10800 Y:If you use ARB, please cite\001 ./arbsrc_9167/lib/pictures/awt/advice.fig0000644012664100000130000000145411440743000020255 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1440 810 2700 1080 6 1440 855 2700 1080 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1440 1080 2700 1080 4 1 -1 0 0 18 12 0.0000 4 135 600 2070 990 Advice\001 -6 -6 6 6750 810 8820 4680 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 8820 4680 4 2 -1 0 0 18 12 0.0000 4 165 1230 8640 4050 $to:XY:advice\001 4 2 -1 0 0 18 12 0.0000 4 165 735 7560 4590 $to:Y:ok\001 4 0 -1 0 0 18 12 0.0000 4 165 1095 6930 990 $understood\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1170 630 4 2 -1 0 0 18 12 0.0000 4 180 885 3240 4590 $to:Y:help\001 4 0 -1 0 0 18 12 0.0000 4 180 645 2340 4500 $Y:help\001 4 0 -1 0 0 18 12 0.0000 4 165 495 3870 4500 $Y:ok\001 4 0 -1 0 0 18 12 0.0000 4 165 690 1440 1710 $advice\001 4 0 -1 0 0 18 12 0.0000 4 165 495 3330 990 $user\001 ./arbsrc_9167/lib/pictures/awt/align.fig0000644012664100000130000000134511213220012020102 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 659 359 659 19 39 19 39 359 659 359 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 41 319 94 $swhat 4 2 18 12 0 -1 0 0.00000 4 15 56 549 89 $to:swhat 4 2 18 12 0 -1 0 0.00000 4 15 71 549 159 $to:sagainst 4 0 18 12 0 -1 0 0.00000 4 15 56 319 159 $sagainst 4 0 18 12 0 -1 0 0.00000 4 15 49 54 159 $against 4 0 18 12 0 -1 0 0.00000 4 15 34 54 94 $what 4 0 18 12 0 -1 0 0.00000 4 15 38 49 49 $close 4 2 18 12 0 -1 0 0.00000 4 15 44 354 49 $expert 4 2 18 12 0 -1 0 0.00000 4 15 31 574 49 $help 4 0 18 12 0 -1 0 0.00000 4 15 34 319 344 $align 4 0 18 12 0 -1 0 0.00000 4 15 37 54 259 $mark 4 0 18 12 0 -1 0 0.00000 4 15 63 159 219 $pt_server 4 2 18 12 0 -1 0 0.00000 4 15 78 479 219 $to:pt_server ./arbsrc_9167/lib/pictures/awt/ascii_print.fig0000644012664100000130000000375411213220012021322 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 624 734 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 94 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 59 599 69 $to:X:help 4 0 18 12 0 -1 0 0.00000 4 15 43 519 69 $X:help 4 0 18 12 0 -1 0 0.00000 4 15 94 114 399 Y:This text has  4 0 18 12 0 -1 0 0.00000 4 15 75 114 439 Y:Paper Size 4 0 18 12 0 -1 0 0.00000 4 15 78 114 479 Y:Orientation 4 0 18 12 0 -1 0 0.00000 4 15 94 114 549 Y:You will need  4 0 18 12 0 -1 0 0.00000 4 15 30 319 124 $title 4 0 18 12 0 -1 0 0.00000 4 15 26 279 119 Title 4 0 18 12 0 -1 0 0.00000 4 15 137 99 139 Text to Print (editable) 4 0 18 12 0 -1 0 0.00000 4 15 49 209 409 $Y:rows 4 0 18 12 0 -1 0 0.00000 4 15 79 244 399 Y:rows and  4 0 18 12 0 -1 0 0.00000 4 15 75 329 409 $Y:columns 4 0 18 12 0 -1 0 0.00000 4 15 68 359 399 Y:columns 4 0 18 12 0 -1 0 0.00000 4 15 82 219 449 $Y:paper_size 4 2 18 12 0 -1 0 0.00000 4 15 98 579 449 $to:Y:paper_size 4 0 18 12 0 -1 0 0.00000 4 15 82 219 489 $Y:orientation 4 2 18 12 0 -1 0 0.00000 4 15 98 579 494 $to:Y:orientation 4 0 18 12 0 -1 0 0.00000 4 15 119 114 519 Y:Magnification (%) 4 0 18 12 0 -1 0 0.00000 4 15 98 239 524 $Y:magnification 4 0 18 12 0 -1 0 0.00000 4 15 56 239 554 $Y:drows 4 0 18 12 0 -1 0 0.00000 4 15 43 364 554 $Y:dcol 4 0 18 12 0 -1 0 0.00000 4 15 157 119 579 Y:= total number of pages: 4 0 18 12 0 -1 0 0.00000 4 15 31 119 169 $text 4 2 18 12 0 -1 0 0.00000 4 15 67 609 364 $to:XY:text 4 0 18 12 0 -1 0 0.00000 4 15 54 279 589 $Y:pages 4 0 18 12 0 -1 0 0.00000 4 15 56 119 619 Y:Print to 4 0 18 12 0 -1 0 0.00000 4 15 67 294 549 Y:rows and 4 0 18 12 0 -1 0 0.00000 4 15 123 409 549 Y:columns of pages 4 2 18 12 0 -1 0 0.00000 4 15 58 609 134 $to:X:title 4 0 18 12 0 -1 0 0.00000 4 15 58 199 619 $Y:printto 4 0 18 12 0 -1 0 0.00000 4 15 58 399 619 $Y:printer 4 0 18 12 0 -1 0 0.00000 4 15 69 399 654 $Y:filename 4 2 18 12 0 -1 0 0.00000 4 15 74 459 724 $to:Y:printto 4 0 18 12 0 -1 0 0.00000 4 15 33 114 724 $Y:go ./arbsrc_9167/lib/pictures/awtc/autoren.fig0000644012664100000130000000124011213220012020622 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 2 -1 0 0 0 0.000 -1 0 0 79 179 319 179 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 359 259 359 39 39 39 39 259 359 259 9999 9999 4 1 18 12 0 -1 0 0.00000 4 15 130 199 144 entries in the database 4 1 18 12 0 -1 0 0.00000 4 15 219 199 124 species using the 'acc' and 'full_name' 4 0 18 12 0 -1 0 0.00000 4 15 38 49 64 $close 4 2 18 12 0 -1 0 0.00000 4 15 53 114 64 $to:close 4 0 18 12 0 -1 0 0.00000 4 15 31 289 64 $help 4 2 18 12 0 -1 0 0.00000 4 15 46 349 64 $to:help 4 0 18 12 0 -1 0 0.00000 4 15 21 159 219 $go 4 2 18 12 0 -1 0 0.00000 4 15 36 239 219 $to:go 4 1 18 12 0 -1 0 0.00000 4 15 243 199 104 This module creates unique names for all ./arbsrc_9167/lib/pictures/awtc/faligner.fig0000644012664100000130000000423211440743000020751 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3285 9675 8055 9990 4 0 -1 0 0 18 12 0.0000 4 180 510 3300 9945 $align\001 4 0 -1 0 0 0 12 0.0000 4 180 3270 4875 9795 Tip: In the main window you can use Ctrl-A\001 4 0 -1 0 0 0 12 0.0000 4 180 2850 5250 9945 to align with the adjusted parameters.\001 -6 6 900 1935 9630 2160 6 5985 1935 9630 2160 4 0 -1 0 0 18 12 0.0000 4 165 660 6000 2100 $swhat\001 4 2 -1 0 0 18 12 0.0000 4 165 900 9600 2100 $to:swhat\001 -6 4 0 -1 0 0 18 12 0.0000 4 165 555 900 2100 $what\001 -6 6 900 5850 6705 6480 6 5715 6300 6705 6480 4 0 -1 0 0 18 12 0.0000 4 165 705 5775 6450 $around\001 4 2 -1 0 0 18 12 0.0000 4 165 945 6675 6450 $to:around\001 -6 4 0 -1 0 0 18 12 0.0000 4 180 600 900 6000 $range\001 -6 6 7830 2295 8190 3105 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8025 2325 8025 3075 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 3 7875 2925 8025 3075 8175 2925 -6 6 900 9135 5040 9450 4 0 -1 0 0 18 12 0.0000 4 180 3360 900 9300 Show messages about missing gaps?\001 4 0 -1 0 0 18 12 0.0000 4 180 525 4500 9375 $gaps\001 -6 6 5985 3465 9630 3645 4 0 -1 0 0 18 12 0.0000 4 180 855 6000 3600 $sagainst\001 4 2 -1 0 0 18 12 0.0000 4 180 1095 9600 3600 $to:sagainst\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9900 10200 9900 300 600 300 600 10200 9900 10200 4 0 -1 0 0 18 12 0.0000 4 165 570 750 750 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 9750 750 $help\001 4 0 -1 0 0 18 12 0.0000 4 180 690 900 1170 $aligner\001 4 0 -1 0 0 18 12 0.0000 4 180 1110 6030 1530 $island_para\001 4 0 -1 0 0 18 12 0.0000 4 180 1005 900 7500 $protection\001 4 0 -1 0 0 18 12 0.0000 4 180 540 8550 2850 $copy\001 4 0 -1 0 0 18 12 0.0000 4 165 645 900 8100 $mirror\001 4 0 -1 0 0 18 12 0.0000 4 165 615 900 8700 $insert\001 4 0 -1 0 0 18 12 0.0000 4 180 1035 8550 8100 $rev_compl\001 4 0 -1 0 0 18 12 0.0000 4 180 750 900 3600 $against\001 4 0 -1 0 0 18 12 0.0000 4 180 975 2550 4950 $pt_server\001 4 2 -1 0 0 18 12 0.0000 4 180 1215 6150 4950 $to:pt_server\001 4 0 -1 0 0 18 12 0.0000 4 180 720 7515 4950 $use_ali\001 4 0 -1 0 0 18 12 0.0000 4 165 720 7515 5475 $relSett\001 4 0 -1 0 0 18 12 0.0000 4 165 885 2700 5475 $relatives\001 ./arbsrc_9167/lib/pictures/awtc/family_settings.fig0000644012664100000130000000171411440743000022365 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 5400 1440 6975 1620 4 2 -1 0 0 18 12 0.0000 4 180 885 6975 1575 $to:X:help\001 4 0 -1 0 0 18 12 0.0000 4 180 645 5400 1575 $X:help\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7110 3960 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1575 $close\001 4 1 -1 0 0 18 12 0.0000 4 180 4230 4200 1935 Search the nearest relatives of species to align\001 4 0 -1 0 0 18 12 0.0000 4 180 1110 1350 2385 Oligo length:\001 4 0 -1 0 0 18 12 0.0000 4 180 870 2925 2385 $oligo_len\001 4 0 -1 0 0 18 12 0.0000 4 135 1140 1350 2835 Mismatches:\001 4 0 -1 0 0 18 12 0.0000 4 165 1185 2925 2835 $mismatches\001 4 0 -1 0 0 18 12 0.0000 4 135 1230 1350 3285 Search mode:\001 4 0 -1 0 0 18 12 0.0000 4 165 585 2925 3285 $mode\001 4 0 -1 0 0 18 12 0.0000 4 135 1170 1350 3735 Match score:\001 4 0 -1 0 0 18 12 0.0000 4 165 600 2925 3735 $score\001 ./arbsrc_9167/lib/pictures/awtc/islandhopping.fig0000644012664100000130000000436311440743000022026 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 6120 3600 8280 4500 6 7560 3600 8280 4500 4 0 -1 0 0 18 12 0.0000 4 180 675 7605 3735 $freq_c\001 4 0 -1 0 0 18 12 0.0000 4 180 645 7605 4410 $freq_t\001 -6 4 0 -1 0 0 18 12 0.0000 4 180 675 6165 3735 $freq_a\001 4 0 -1 0 0 18 12 0.0000 4 180 675 6165 4410 $freq_g\001 -6 6 1080 2880 5310 5220 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1980 3060 1980 5220 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 2880 3060 2880 5220 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 3060 1080 3060 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 3060 1080 5220 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 3600 1080 3600 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 4140 1080 4140 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 4680 1080 4680 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 5220 1080 5220 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 3780 3060 3780 5220 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 3060 4680 5220 4 1 -1 0 0 18 12 0.0000 4 180 420 1530 3015 $h_a\001 4 1 -1 0 0 18 12 0.0000 4 180 420 2430 3015 $h_c\001 4 1 -1 0 0 18 12 0.0000 4 180 420 3330 3015 $h_g\001 4 1 -1 0 0 18 12 0.0000 4 180 390 4230 3015 $h_t\001 4 0 -1 0 0 18 12 0.0000 4 180 435 4860 3465 $v_a\001 4 0 -1 0 0 18 12 0.0000 4 180 435 4860 4005 $v_c\001 4 0 -1 0 0 18 12 0.0000 4 180 435 4860 4545 $v_g\001 4 0 -1 0 0 18 12 0.0000 4 180 405 4860 5085 $v_t\001 -6 6 5760 6030 6345 7380 4 0 -1 0 0 18 12 0.0000 4 180 540 5760 6165 $gapA\001 4 0 -1 0 0 18 12 0.0000 4 180 555 5760 6705 $gapB\001 4 0 -1 0 0 18 12 0.0000 4 180 540 5760 7335 $gapC\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9900 7650 9900 300 600 300 600 7650 9900 7650 2 1 0 2 0 7 50 0 -1 0.000 0 0 -1 0 0 2 720 5670 9450 5670 2 1 0 2 0 7 50 0 -1 0.000 0 0 -1 0 0 2 5220 2070 5220 5535 2 1 0 2 0 7 50 0 -1 0.000 0 0 -1 0 0 2 720 1935 9450 1935 4 0 -1 0 0 18 12 0.0000 4 165 570 750 750 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 9750 750 $help\001 4 0 -1 0 0 18 12 0.0000 4 180 465 5760 2520 $freq\001 4 0 -1 0 0 18 12 0.0000 4 165 600 810 2520 $subst\001 4 0 -1 0 0 18 12 0.0000 4 165 435 810 6165 $dist\001 4 0 -1 0 0 18 12 0.0000 4 180 525 810 6705 $supp\001 4 0 -1 0 0 18 12 0.0000 4 165 570 810 7335 $thres\001 4 0 -1 0 0 18 12 0.0000 4 180 1455 810 1530 $use_secondary\001 ./arbsrc_9167/lib/pictures/awtc/names_admin.fig0000644012664100000130000000110411440743000021430 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 180 180 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 5220 3780 4 0 -1 0 0 18 12 0.0000 4 135 540 450 495 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 450 4860 495 $help\001 4 1 -1 0 0 18 12 0.0000 4 135 630 2610 915 $delete\001 4 1 -1 0 0 18 12 0.0000 4 150 990 2610 1980 $remove_arb\001 4 1 -1 0 0 18 12 0.0000 4 135 450 2610 1440 $edit\001 4 1 -1 0 0 18 12 0.0000 4 165 2520 2610 2790 Additional species ID field:\001 4 1 -1 0 0 18 12 0.0000 4 150 900 2610 3240 $add_field\001 ./arbsrc_9167/lib/pictures/awt/col_statistic.fig0000644012664100000130000000161211440743000021662 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 524 519 39 79 39 79 524 519 524 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 99 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 499 69 $help 4 1 18 12 0 -1 0 0.00000 4 15 188 299 79 Use COLUMN STATISTIC (CSP) 4 1 18 12 0 -1 0 0.00000 4 15 252 299 97 to estimate G+C, rates, TT-ratio and weights 4 0 18 12 0 -1 0 0.00000 4 15 28 89 159 $box 4 2 18 12 0 -1 0 0.00000 4 15 43 509 259 $to:box 4 0 18 12 0 -1 0 0.00000 4 15 416 94 294 In a column statistic each parameter is calculated independently for each 4 0 18 12 0 -1 0 0.00000 4 15 50 94 374 $smooth 4 0 18 12 0 -1 0 0.00000 4 15 185 99 134 Select a CSP from the database: 4 0 18 12 0 -1 0 0.00000 4 15 34 94 519 $helix 4 0 18 12 0 -1 0 0.00000 4 15 359 94 314 column. This results in a great variance, which can be avoided 4 0 18 12 0 -1 0 0.00000 4 15 205 94 334 by smoothing the parameter values. ./arbsrc_9167/lib/pictures/awt/export_db.fig0000644012664100000130000000335611213220012021002 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 4185 1440 5580 1935 4 0 -1 0 0 18 12 0.0000 4 135 360 4215 1935 $box\001 4 0 -1 0 0 18 12 0.0000 4 135 1350 4215 1575 Select a format\001 -6 2 1 0 1 0 7 100 0 -1 0.000 0 0 -1 0 0 1 585 585 2 1 0 1 0 7 100 0 -1 0.000 0 0 -1 0 0 1 8350 10575 4 0 -1 0 0 18 12 0.0000 4 165 2430 750 6210 Choose an output file name:\001 4 0 -1 0 0 18 12 0.0000 4 150 990 750 6585 $ffile_name\001 4 0 -1 0 0 18 12 0.0000 4 135 540 750 1050 $close\001 4 0 -1 0 0 18 12 0.0000 4 135 450 750 7290 $fbox\001 4 1 -1 0 0 18 12 0.0000 4 165 270 4590 10350 $Y:go\001 4 2 -1 0 0 18 12 0.0000 4 150 990 8175 9945 $to:XY:fbox\001 4 0 -1 0 0 18 12 0.0000 4 165 2610 750 6930 Files (f) and Directories (D)\001 4 2 -1 0 0 18 12 0.0000 4 165 630 8175 1050 $X:help\001 4 2 -1 0 0 18 12 0.0000 4 150 1440 8175 6705 $to:X:ffile_name\001 4 1 -1 0 0 18 12 0.0000 4 165 3510 4500 1050 This module exports species information\001 4 1 -1 0 0 18 12 0.0000 4 165 4680 4500 1260 The selected FORM gets filled and is stored to disc.\001 4 0 -1 0 0 18 12 0.0000 4 165 2250 750 5850 Save into multiple files?\001 4 0 -1 0 0 18 12 0.0000 4 165 810 3150 5925 $multiple\001 4 2 -1 0 0 18 12 0.0000 4 150 810 8175 5940 $to:X:box\001 4 0 -1 0 0 18 12 0.0000 4 165 540 750 1935 Export\001 4 0 -1 0 0 18 12 0.0000 4 135 900 1890 2010 $allmarked\001 4 0 -1 0 0 18 12 0.0000 4 135 540 750 2475 Filter\001 4 0 -1 0 0 18 12 0.0000 4 165 900 1890 2550 $seqfilter\001 4 2 -1 0 0 18 12 0.0000 4 165 1170 4005 2550 $to:seqfilter\001 4 0 -1 0 0 18 12 0.0000 4 165 720 750 3015 Compress\001 4 0 -1 0 0 18 12 0.0000 4 165 810 1890 3090 $compress\001 4 0 -1 0 0 18 12 0.0000 4 165 1350 750 3510 Cut stop-codon?\001 4 0 -1 0 0 18 12 0.0000 4 165 720 2385 3585 $cutstop\001 ./arbsrc_9167/lib/pictures/awt/export.fig0000644012664100000130000000216311213220012020330 0ustar arb_buildcoders#FIG 2.1 80 2 6 84 169 474 539 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 204 84 204 84 574 474 574 474 204 319 204 9999 9999 -6 6 89 159 469 229 4 0 18 12 0 -1 0 0.00000 4 15 28 89 264 $box 4 2 18 12 0 -1 0 0.00000 4 15 33 469 233 $filter 4 2 18 12 0 -1 0 0.00000 4 15 33 409 229 Suffix 4 0 18 12 0 -1 0 0.00000 4 15 153 94 229 Directories (D) and Files (f) 4 1 18 12 0 -1 0 0.00000 4 15 52 279 209 Filename -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 624 479 34 74 34 74 624 479 624 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 89 64 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 469 64 $help 4 2 18 12 0 -1 0 0.00000 4 15 78 469 564 $to:file_name 4 0 18 12 0 -1 0 0.00000 4 15 63 89 564 $file_name 4 2 18 12 0 -1 0 0.00000 4 15 43 469 514 $to:box 4 0 18 12 0 -1 0 0.00000 4 15 57 89 534 File Name 4 0 18 12 0 -1 0 0.00000 4 15 34 89 99 $what 4 0 18 12 0 -1 0 0.00000 4 15 81 89 134 $remove_root 4 0 18 12 0 -1 0 0.00000 4 15 81 89 179 $color 4 0 18 12 0 -1 0 0.00000 4 15 28 89 609 $xfig 4 2 18 12 0 -1 0 0.00000 4 15 43 184 609 $to:xfig 4 0 18 12 0 -1 0 0.00000 4 15 45 339 609 $cancel 4 2 18 12 0 -1 0 0.00000 4 15 60 454 609 $to:cancel ./arbsrc_9167/lib/pictures/awt/filter.fig0000644012664100000130000000365411213220012020302 0ustar arb_buildcoders#FIG 2.1 80 2 6 44 494 514 614 2 1 0 1 -1 0 0 0 0.000 -1 0 0 89 506 514 506 514 614 44 614 44 506 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 66 194 542 $sequence 4 2 18 12 0 -1 0 0.00000 4 15 78 509 608 $to:sequence 4 0 18 12 0 -1 0 0.00000 4 15 131 54 554 selected SAI sequence 4 0 18 12 0 -1 0 0.00000 4 15 94 54 572 resulting FILTER 4 0 18 12 0 -1 0 0.00000 4 15 104 54 536 sequence position 4 0 18 12 0 -1 0 0.00000 4 15 37 49 512 Result -6 2 1 0 2 -1 0 0 0 0.000 -1 0 0 234 69 324 69 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 44 109 44 109 44 319 514 319 514 109 469 109 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 44 334 44 334 44 404 514 404 514 334 234 334 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 659 519 39 39 39 39 659 519 659 9999 9999 4 2 18 12 0 -1 0 0.00000 4 15 31 504 64 $help 4 1 18 13 0 -1 0 0.00000 4 17 85 279 64 Select a Filter 4 1 18 12 0 -1 0 0.00000 4 15 192 279 89 Make a filter from a SAI sequence 4 0 18 13 0 -1 0 0.00000 4 17 35 49 144 $filter 4 0 18 13 0 -1 0 0.00000 4 15 34 399 394 $zero 4 0 18 12 0 -1 0 0.00000 4 15 32 449 364 $max 4 0 18 12 0 -1 0 0.00000 4 15 181 49 339 Use only columns (weight=1): 4 0 18 12 0 -1 0 0.00000 4 15 201 159 389 2. at which the selected seq. has no 4 2 18 13 0 -1 0 0.00000 4 17 51 504 309 $to:filter 4 1 18 12 0 -1 0 0.00000 4 15 409 259 114 Select a SAI sequence (NOTE: some SAI have more than one sequence) 4 0 18 12 0 -1 0 0.00000 4 15 84 54 599 Valid columns: 4 0 18 12 0 -1 0 0.00000 4 15 24 144 604 $len 4 0 18 13 0 -1 0 0.00000 4 17 40 49 644 $close 4 0 18 12 0 -1 0 0.00000 4 15 183 49 439 You may activate a second filter 4 0 18 12 0 -1 0 0.00000 4 15 40 399 444 $2filter 4 0 18 12 0 -1 0 0.00000 4 15 204 49 474 Do you want to simplify your data 4 0 18 12 0 -1 0 0.00000 4 15 54 319 479 $simplify 4 0 18 12 0 -1 0 0.00000 4 15 28 359 364 $min 4 0 18 12 0 -1 0 0.00000 4 15 12 419 359 to 4 0 18 12 0 -1 0 0.00000 4 15 169 159 359 1. which position is between ./arbsrc_9167/lib/pictures/awt/import_db.fig0000644012664100000130000000342011213220012020763 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1620 1170 5985 1485 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1665 1455 5940 1455 4 1 -1 0 0 18 16 0.0000 4 225 2955 3750 1380 Import Various Databases\001 -6 6 2205 9540 4185 9720 4 0 -1 0 0 18 12 0.0000 4 135 300 2205 9690 $ali\001 4 2 -1 0 0 18 12 0.0000 4 135 525 4185 9690 $to:ali\001 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 720 765 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 6885 10710 4 0 -1 0 0 18 12 0.0000 4 135 570 825 1050 $close\001 4 0 -1 0 0 18 12 0.0000 4 150 5565 900 1800 Enter file name of foreign database (may contain * or ? wildcards)\001 4 0 -1 0 0 18 12 0.0000 4 120 510 1155 9615 Name\001 4 0 -1 0 0 18 12 0.0000 4 150 5445 855 9165 Enter alignment name + type ( e.g. "ali_16s" / rna for 16S rRNA)\001 4 0 -1 0 0 18 12 0.0000 4 150 1365 945 2250 $imp_file_name\001 4 0 -1 0 0 18 12 0.0000 4 150 2295 945 2745 Directories (D) and Files (f)\001 4 2 -1 0 0 18 12 0.0000 4 150 1770 6700 2430 $to:X:imp_file_name\001 4 2 -1 0 0 18 12 0.0000 4 135 825 6700 8685 $to:X:box\001 4 2 -1 0 0 18 12 0.0000 4 150 1095 6700 2745 $X:imp_filter\001 4 0 -1 0 0 18 12 0.0000 4 120 735 4590 2745 X:Suffix:\001 4 0 -1 0 0 18 12 0.0000 4 150 840 945 3240 $imp_box\001 4 0 -1 0 0 18 12 0.0000 4 120 885 1170 10575 Protection\001 4 0 -1 0 0 18 12 0.0000 4 150 720 2205 10620 $protect\001 4 0 -1 0 0 18 12 0.0000 4 150 420 1170 10125 Type\001 4 0 -1 0 0 18 12 0.0000 4 150 480 2205 10170 $type\001 4 2 -1 0 0 18 12 0.0000 4 150 495 6705 10530 $X:go\001 4 2 -1 0 0 18 12 0.0000 4 150 1245 6700 5715 $to:X:imp_box\001 4 0 -1 0 0 18 12 0.0000 4 150 690 720 6030 $genom\001 4 2 -1 0 0 18 12 0.0000 4 135 660 6700 6975 $X:auto\001 4 0 -1 0 0 18 12 0.0000 4 135 420 945 7425 $box\001 4 2 -1 0 0 18 12 0.0000 4 150 645 6700 1080 $X:help\001 ./arbsrc_9167/lib/pictures/awt/nds.fig0000644012664100000130000000063611213220012017576 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 7 0 0 1 675 900 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 11745 3465 4 0 -1 0 0 18 12 0.0000 4 165 570 750 1350 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 465 2400 1350 $help\001 4 0 -1 0 0 18 12 0.0000 4 180 525 4635 1350 $page\001 4 0 -1 0 0 18 12 0.0000 4 165 495 750 1845 $data\001 ./arbsrc_9167/lib/pictures/awt/nds_sel.fig0000644012664100000130000000066011213220012020436 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 79 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 319 479 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 52 89 104 $scandb 4 0 18 13 0 -1 0 0.00000 4 17 77 214 469 $Y:rescandb 4 2 18 13 0 -1 0 0.00000 4 17 93 309 469 $to:Y:rescandb 4 2 18 13 0 -1 0 0.00000 4 17 69 174 469 $to:Y:close 4 0 18 13 0 -1 0 0.00000 4 17 53 89 469 $Y:close 4 2 18 13 0 -1 0 0.00000 4 17 90 309 439 $to:XY:scandb ./arbsrc_9167/lib/pictures/awt/parser.fig0000644012664100000130000000363711440743000020323 0ustar arb_buildcoders#FIG 2.1 80 2 6 84 364 599 689 6 89 364 594 489 4 0 18 12 0 -1 0 0.00000 4 15 45 89 404 $parser 4 0 18 12 0 -1 0 0.00000 4 15 26 89 489 $pre 4 0 18 12 0 -1 0 0.00000 4 15 182 94 464 Or select a predefined program: 4 1 18 12 0 -1 0 0.00000 4 15 149 169 379 Command (':a=b' or '|ACI') 4 2 18 12 0 -1 0 0.00000 4 15 72 594 434 $to:X:parser -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 599 689 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 33 84 684 $Y:go 4 2 18 12 0 -1 0 0.00000 4 15 48 159 684 $to:Y:go 4 2 18 12 0 -1 0 0.00000 4 15 61 594 654 $to:XY:pre -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 4 2 18 12 0 -1 0 0.00000 4 15 31 589 69 $help 4 1 18 12 0 -1 0 0.00000 4 15 142 179 104 This module modifies the 4 1 18 12 0 -1 0 0.00000 4 15 101 179 122 contents of fields. 4 1 18 12 0 -1 0 0.00000 4 15 50 179 140 You can: 4 1 18 12 0 -1 0 0.00000 4 15 125 179 158 * substitute substrings 4 1 18 12 0 -1 0 0.00000 4 15 145 179 176 *copy one field to another 4 1 18 12 0 -1 0 0.00000 4 15 124 179 212 sequence information 4 0 18 12 0 -1 0 0.00000 4 15 31 284 124 $field 4 1 18 12 0 -1 0 0.00000 4 15 125 179 194 *extract and calculate 4 1 18 12 0 -1 0 0.00000 4 15 95 344 99 Destination Field 4 0 18 12 0 -1 0 0.00000 4 15 38 89 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 58 594 259 $to:X:field 4 2 18 12 0 -1 0 0.00000 4 15 40 509 294 $to:tag 4 0 18 12 0 -1 0 0.00000 4 15 76 359 289 Tag to Modify 4 2 18 12 0 -1 0 0.00000 4 15 56 594 294 $helptags 4 0 18 12 0 -1 0 0.00000 4 15 25 449 294 $tag 4 2 18 12 0 -1 0 0.00000 4 15 58 344 294 $to:deftag 4 0 18 12 0 -1 0 0.00000 4 15 43 289 294 $deftag 4 0 18 12 0 -1 0 0.00000 4 15 65 209 289 Default Tag 4 0 18 12 0 -1 0 0.00000 4 15 47 169 294 $usetag 4 0 18 12 0 -1 0 0.00000 4 15 56 94 289 Use Tags 4 0 18 12 0 -1 0 0.00000 4 15 71 94 324 Double Pars 4 0 18 12 0 -1 0 0.00000 4 15 45 169 329 $double 4 0 18 12 0 -1 0 0.00000 4 15 233 209 324 (Experts only, read help text carefully) ./arbsrc_9167/lib/pictures/awt/print.fig0000644012664100000130000000537411213220012020152 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3510 1125 6030 1125 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2400 3930 2400 7785 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1260 720 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2400 8490 2400 9390 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 8235 10125 4 0 -1 0 0 18 12 0.0000 4 135 540 1425 1050 $close\001 4 1 -1 0 0 18 12 0.0000 4 165 2160 4800 1050 Print Graphic to Printer\001 4 0 -1 0 0 18 12 0.0000 4 150 1080 1425 2400 $remove_root\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1425 1725 $what\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1425 3015 $color\001 4 1 -1 0 0 18 12 0.0000 4 135 900 5400 3255 $checksize\001 4 0 -1 0 0 18 12 0.0000 4 180 2520 1425 3705 Page Layout (X * Y [inches])\001 4 0 -1 0 0 18 12 0.0000 4 165 720 4500 3780 $getsize\001 4 0 -1 0 0 18 12 0.0000 4 165 1350 2475 4230 This Graphic is\001 4 0 -1 0 0 18 12 0.0000 4 165 630 3900 4305 $gsizex\001 4 0 -1 0 0 18 12 0.0000 4 165 1260 4200 4830 $magnification\001 4 0 -1 0 0 18 12 0.0000 4 165 900 2475 5355 Paper Size\001 4 0 -1 0 0 18 12 0.0000 4 165 630 5700 5430 $psizey\001 4 0 -1 0 0 18 12 0.0000 4 165 990 6600 5355 inch height\001 4 0 -1 0 0 18 12 0.0000 4 165 1440 2475 4755 * Magnification%\001 4 0 -1 0 0 18 12 0.0000 4 135 900 4725 5355 inch width\001 4 0 -1 0 0 18 12 0.0000 4 135 1170 2475 6630 You will need\001 4 0 -1 0 0 18 12 0.0000 4 165 540 5700 6705 $sizey\001 4 0 -1 0 0 18 12 0.0000 4 165 1170 6525 6630 rows of pages\001 4 0 -1 0 0 18 12 0.0000 4 135 990 2475 5880 Orientation\001 4 0 -1 0 0 18 12 0.0000 4 135 990 4575 6630 columns and\001 4 0 -1 0 0 18 12 0.0000 4 135 540 3825 6705 $sizex\001 4 0 -1 0 0 18 12 0.0000 4 165 630 3825 5430 $psizex\001 4 0 -1 0 0 18 12 0.0000 4 135 1080 3750 5955 $orientation\001 4 0 -1 0 0 18 12 0.0000 4 135 990 4875 4230 inch width \001 4 0 -1 0 0 18 12 0.0000 4 165 630 5970 4305 $gsizey\001 4 0 -1 0 0 18 12 0.0000 4 165 990 7095 4230 inch height\001 4 2 -1 0 0 18 12 0.0000 4 165 450 7965 1050 $help\001 4 0 -1 0 0 18 12 0.0000 4 150 810 2565 7200 $best_fit\001 4 0 -1 0 0 18 12 0.0000 4 165 540 4005 7200 $pages\001 4 0 -1 0 0 18 12 0.0000 4 120 540 4815 7155 pages.\001 4 0 -1 0 0 18 12 0.0000 4 165 720 2565 7695 $overlap\001 4 0 -1 0 0 18 12 0.0000 4 165 1440 3060 7695 Overlap pages by\001 4 0 -1 0 0 18 12 0.0000 4 135 630 4680 7740 $amount\001 4 0 -1 0 0 18 12 0.0000 4 165 2160 5535 7695 inch. [ Read HELP!!! ]\001 4 0 -1 0 0 18 12 0.0000 4 165 720 1425 8340 $printto\001 4 0 -1 0 0 18 12 0.0000 4 165 270 1425 10065 $go\001 4 0 -1 0 0 18 12 0.0000 4 165 720 5940 8235 $printer\001 4 0 -1 0 0 18 12 0.0000 4 135 810 5940 8775 $filename\001 4 2 -1 0 0 18 12 0.0000 4 150 1260 7965 8955 $to:X:filename\001 4 2 -1 0 0 18 12 0.0000 4 165 1170 7965 8415 $to:X:printer\001 ./arbsrc_9167/lib/pictures/awt/secExport.fig0000644012664100000130000000214711213220012020765 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 200.00 Single -2 1200 2 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1170 1305 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 7155 8865 4 0 -1 0 0 18 12 0.0000 4 165 450 1440 8595 $xfig\001 4 0 -1 0 0 18 12 0.0000 4 150 900 1305 7155 $file_name\001 4 2 -1 0 0 2 12 0.0000 4 150 720 5895 2250 X:Suffix\001 4 0 -1 0 0 18 12 0.0000 4 135 360 1350 2745 $box\001 4 0 -1 0 0 2 14 0.0000 4 135 810 1350 6750 File Name\001 4 2 -1 0 0 18 12 0.0000 4 165 720 3375 8595 $to:xfig\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1710 8100 $color\001 4 2 -1 0 0 18 12 0.0000 4 150 1350 7065 7290 $to:X:file_name\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1710 7695 $what\001 4 0 -1 0 0 2 14 0.0000 4 165 3150 1350 1935 Select Path to export the STRUCTURE\001 4 0 -1 0 0 2 13 0.0000 4 165 2610 1350 2295 Directories (D) and Files (f)\001 4 2 -1 0 0 18 12 0.0000 4 150 810 7065 6390 $to:X:box\001 4 2 -1 0 0 18 12 0.0000 4 150 810 7065 2340 $X:filter\001 4 2 -1 0 0 18 12 0.0000 4 150 810 7065 8595 $X:cancel\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1350 1575 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 630 7065 1620 $X:help\001 ./arbsrc_9167/lib/pictures/awt/set_protection.fig0000644012664100000130000000125611213220012022052 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 74 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 439 559 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 99 69 $close 4 1 18 12 0 -1 0 0.00000 4 15 102 264 69 Set Protections of 4 1 18 12 0 -1 0 0.00000 4 15 144 264 89 one field of listed species 4 2 18 12 0 -1 0 0.00000 4 15 31 424 69 $help 4 0 18 12 0 -1 0 0.00000 4 15 24 99 139 $list 4 0 18 12 0 -1 0 0.00000 4 15 30 299 199 $prot 4 2 18 12 0 -1 0 0.00000 4 15 45 429 519 $to:prot 4 1 18 12 0 -1 0 0.00000 4 15 45 264 109 to level: 4 2 18 12 0 -1 0 0.00000 4 15 51 279 519 $to:Y:list 4 0 18 12 0 -1 0 0.00000 4 15 33 89 549 $Y:go 4 2 18 12 0 -1 0 0.00000 4 15 48 164 549 $to:Y:go ./arbsrc_9167/lib/pictures/awt/srt_select.fig0000644012664100000130000000142011213220012021151 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 9600 8850 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1575 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 9450 1575 $help\001 4 1 -1 0 0 18 12 0.0000 4 180 3195 5400 1575 Select a predefined SRT/ACI program\001 4 0 -1 0 0 18 12 0.0000 4 180 5385 1425 7875 The program: (You may modify it: Press HELP for more details)\001 4 0 -1 0 0 18 12 0.0000 4 165 645 1350 8250 $Y:field\001 4 2 -1 0 0 18 12 0.0000 4 165 990 9450 8775 $to:XY:field\001 4 0 -1 0 0 18 12 0.0000 4 180 2475 1425 1905 List predefined of SRT/ACI`s:\001 4 0 -1 0 0 18 12 0.0000 4 165 420 1350 2280 $box\001 4 2 -1 0 0 18 12 0.0000 4 165 945 9450 7380 $to:XY:box\001 ./arbsrc_9167/lib/pictures/awt/tree_settings.fig0000644012664100000130000000075111213220012021667 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 2880 1890 4680 2205 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2925 2160 4635 2160 4 1 -1 0 0 18 14 0.0000 4 210 1365 3765 2085 Tree Settings\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 4 0 -1 0 0 18 12 0.0000 4 135 570 1425 1575 $close\001 4 0 -1 0 0 18 12 0.0000 4 135 645 1425 3015 $button\001 4 2 -1 0 0 18 12 0.0000 4 150 465 5985 1575 $help\001 4 0 -1 0 0 18 12 0.0000 4 150 630 5220 2205 $config\001 ./arbsrc_9167/lib/pictures/awt/www.fig0000644012664100000130000000073011213220012017631 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 7 0 0 1 675 900 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 11745 3465 4 0 -1 0 0 18 12 0.0000 4 165 570 750 1350 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 465 2400 1350 $help\001 4 0 -1 0 0 18 12 0.0000 4 165 645 5550 1350 $action\001 4 0 -1 0 0 18 12 0.0000 4 180 645 7110 1350 $config\001 4 0 -1 0 0 18 12 0.0000 4 165 495 750 2160 $data\001 ./arbsrc_9167/lib/pictures/bug_report.fig0000644012664100000130000000145411213220012020366 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1800 7650 11880 8550 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 11880 8550 4 0 -1 0 0 18 12 0.0000 4 225 615 1845 8370 $Y:go\001 4 2 -1 0 0 18 13 0.0000 4 210 1140 11610 7830 $to:XY:box\001 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1710 540 4 0 -1 0 0 18 13 0.0000 4 210 495 1800 3060 $box\001 4 0 -1 0 0 18 12 0.0000 4 165 1530 1800 2610 Text to submit:\001 4 0 -1 0 0 18 12 0.0000 4 210 540 1800 2160 $mail\001 4 0 -1 0 0 18 13 0.0000 4 210 675 1800 900 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 2580 1800 1800 Destination mail address\001 4 0 -1 0 0 18 12 0.0000 4 210 600 1800 1350 $what\001 4 2 -1 0 0 18 13 0.0000 4 225 570 11610 900 $help\001 4 2 -1 0 0 18 12 0.0000 4 210 1035 11610 2340 $to:X:mail\001 ./arbsrc_9167/lib/pictures/calltexe.fig0000644012664100000130000000112311213220012020010 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 439 239 439 39 39 39 39 239 439 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 284 119 419 119 419 169 59 169 59 119 194 119 189 119 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 299 224 299 194 179 194 179 224 299 224 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 304 229 304 189 174 189 174 229 304 229 9999 9999 4 0 18 16 0 -1 0 0.00000 4 19 50 79 79 $close 4 1 18 16 0 -1 0 0.00000 4 19 31 239 159 $file 4 2 18 16 0 -1 0 0.00000 4 19 85 399 79 $command 4 1 18 16 0 -1 0 0.00000 4 19 37 239 219 $edit 4 1 18 16 0 -1 0 0.00000 4 21 78 239 124 File name: ./arbsrc_9167/lib/pictures/check_quality.fig0000644012664100000130000000177611440743000021063 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 79 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 519 534 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 119 114 $close 4 0 18 12 0 -1 0 0.00000 4 15 97 119 174 Which Species ? 4 2 18 12 0 -1 0 0.00000 4 15 31 504 114 $help 4 0 18 12 0 -1 0 0.00000 4 15 39 119 519 $Y:GO 4 2 18 12 0 -1 0 0.00000 4 15 69 509 494 $to:XY:dest 4 2 18 12 0 -1 0 0.00000 4 15 58 504 184 $to:which 4 0 18 12 0 -1 0 0.00000 4 15 146 119 264 User defined slice length 4 0 18 12 0 -1 0 0.00000 4 15 94 119 219 Column Statistic 4 0 18 12 0 -1 0 0.00000 4 15 55 279 224 $awt_csp 4 0 18 12 0 -1 0 0.00000 4 15 21 279 269 $sb 4 2 18 12 0 -1 0 0.00000 4 15 37 359 269 $to:sb 4 0 18 12 0 -1 0 0.00000 4 15 43 279 319 $report 4 2 18 12 0 -1 0 0.00000 4 15 59 504 319 $to:report 4 0 18 12 0 -1 0 0.00000 4 15 42 279 184 $which 4 0 18 12 0 -1 0 0.00000 4 15 142 119 354 Species: Report to Field 4 0 18 12 0 -1 0 0.00000 4 15 33 279 359 $dest 4 0 18 12 0 -1 0 0.00000 4 15 102 119 309 Sequence Report ./arbsrc_9167/lib/pictures/colorize.fig0000644012664100000130000000077411213220012020050 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1500 825 4 0 -1 0 0 18 12 0.0000 4 135 570 1800 1350 $close\001 4 0 -1 0 0 18 12 0.0000 4 135 780 1800 2115 $colorize\001 4 0 -1 0 0 18 12 0.0000 4 135 555 1800 2475 $mark\001 4 0 -1 0 0 18 12 0.0000 4 135 765 1800 2835 $unmark\001 4 0 -1 0 0 18 12 0.0000 4 135 600 1800 3240 $invert\001 4 0 -1 0 0 18 12 0.0000 4 150 465 3150 1350 $help\001 4 0 -1 0 0 18 12 0.0000 4 135 885 6030 1350 $loadsave\001 ./arbsrc_9167/lib/pictures/color_loadsave.fig0000644012664100000130000000134311213220012021207 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1500 825 4 0 -1 0 0 18 12 0.0000 4 135 570 1800 1350 $close\001 4 0 -1 0 0 18 12 0.0000 4 150 465 3105 1350 $help\001 4 0 -1 0 0 18 12 0.0000 4 135 585 1800 2070 $name\001 4 2 -1 0 0 18 12 0.0000 4 135 990 8640 2250 $to:X:name\001 4 0 -1 0 0 18 12 0.0000 4 135 360 1800 2790 $list\001 4 2 -1 0 0 18 12 0.0000 4 135 885 7290 5535 $to:XY:list\001 4 0 -1 0 0 18 12 0.0000 4 135 645 7470 3195 $X:load\001 4 0 -1 0 0 18 12 0.0000 4 135 705 7470 2790 $X:save\001 4 0 -1 0 0 18 12 0.0000 4 150 930 7470 3600 $X:overlay\001 4 0 -1 0 0 18 12 0.0000 4 135 810 7470 4050 $X:delete\001 4 0 -1 0 0 18 12 0.0000 4 135 735 7470 4500 $X:reset\001 ./arbsrc_9167/lib/pictures/concatenate.fig0000644012664100000130000000474711213220012020512 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 720 1845 9495 5895 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 5 855 1845 720 1845 720 5895 9495 5895 9495 1915 -6 2 2 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 5 720 1080 9495 1080 9495 1665 720 1665 720 1080 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 2790 1935 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 3375 1890 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 9495 1890 9495 1935 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 855 1845 3780 1845 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 3 6345 1845 9495 1845 9495 1935 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9585 6615 9585 600 630 600 630 6615 9585 6615 2 2 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 5 720 6030 9495 6030 9495 6525 720 6525 720 6030 4 2 -1 0 0 18 12 0.0000 4 180 465 9360 900 $help\001 4 0 -1 0 0 18 12 0.0000 4 180 855 990 2745 $dbAligns\001 4 0 -1 0 0 2 14 0.0000 4 135 2265 3915 1935 SELECT ALIGNMENTS\001 4 0 -1 0 0 2 13 0.0000 4 180 2265 1305 2340 Alignments in the database\001 4 0 -1 0 0 18 12 0.0000 4 165 570 900 945 $close\001 4 0 -1 0 0 2 13 0.0000 4 180 1980 855 1440 New Alignment Name : \001 4 0 -1 0 0 18 12 0.0000 4 165 1035 6165 1485 $to:aliName\001 4 0 -1 0 0 2 14 0.0000 4 180 1335 6345 1440 Sequence Type\001 4 0 -1 0 0 18 12 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$down\001 4 0 -1 0 0 18 12 0.0000 4 165 420 4590 3690 $add\001 4 0 -1 0 0 18 12 0.0000 4 165 765 4590 4140 $remove\001 4 0 -1 0 0 18 12 0.0000 4 180 315 8910 3555 $up\001 4 0 -1 0 0 18 12 0.0000 4 165 645 4590 3240 $addAll\001 4 0 -1 0 0 18 12 0.0000 4 180 1440 3285 6435 $merge_species\001 ./arbsrc_9167/lib/pictures/consensus/expert.fig0000644012664100000130000005203011213220012021541 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #dedfde 0 33 #efebde 0 34 #c6c3c6 0 35 #dec7a5 0 36 #dedfde 0 37 #ced3ce 0 38 #efebef 0 39 #d67918 0 40 #efe318 0 41 #847dc6 0 42 #d6d7d6 0 43 #8c8aa5 0 44 #4a494a 0 45 #5a595a 0 46 #636163 0 47 #8c8e8c 0 48 #b59a73 0 49 #4292ff 0 50 #bd7139 0 51 #de7500 0 52 #d6b600 0 53 #006500 0 54 #5a6939 0 55 #d6d3d6 0 56 #adaaad 0 57 #8c8ea5 0 58 #efba5a 0 59 #8c9a6b 0 60 #4a494a 0 61 #636563 0 62 #d6d7d6 0 63 #8c8aa5 0 64 #5a595a 0 65 #636163 0 66 #b5e7ff 0 67 #84beef 0 68 #bdbebd 0 69 #d69652 0 70 #8c8e8c 0 71 #94d3ff 0 72 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-1 0 0 -1 0.000 0 0 -1 0 0 2 6225 5355 6030 5670 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 5025 3855 5025 5355 7425 5355 7275 5280 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 7425 5355 7275 5430 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4950 3855 5100 3855 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4935 4575 5085 4575 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 3 5775 5895 5775 6120 5775 6105 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5790 6105 4380 6105 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 3000 9450 3000 9975 7725 9975 7725 9450 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7725 9450 7725 6525 3000 6525 3000 9450 7725 9450 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7725 6255 7725 3300 3000 3300 3000 6255 7725 6255 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 3660 7305 3660 9075 3660 9165 5790 9165 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5625 9225 5775 9150 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 5 3735 5220 4395 5220 4395 6105 5775 6105 5775 5910 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7740 2985 7740 900 3000 900 3000 2985 7740 2985 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5445 1995 6705 1995 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3240 1530 3240 2985 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3225 2970 3315 2880 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3255 2970 3165 2880 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4005 1530 4005 1770 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3990 1755 4080 1665 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4020 1755 3930 1665 4 0 -1 0 0 18 13 0.0000 4 195 975 525 7050 $save_box\001 4 2 -1 0 0 18 13 0.0000 4 195 1215 2625 8850 $to:save_box\001 4 1 -1 0 0 18 13 0.0000 4 180 630 1425 5775 $result\001 4 0 -1 0 0 18 13 0.0000 4 180 705 450 600 $cancel\001 4 2 -1 0 0 18 12 0.0000 4 150 465 7650 600 $help\001 4 0 -1 0 0 18 13 0.0000 4 195 1695 525 1650 $which_alignment\001 4 2 -1 0 0 18 13 0.0000 4 195 1935 2625 2925 $to:which_alignment\001 4 1 -1 0 0 18 13 0.0000 4 195 1470 1500 3675 $which_species\001 4 0 -1 0 0 18 13 0.0000 4 180 615 600 9750 $name\001 4 2 -1 0 0 18 12 0.0000 4 135 810 2475 9750 $to:name\001 4 1 -1 0 0 18 13 0.0000 4 180 930 1575 10500 $calculate\001 4 0 -1 0 0 18 13 0.0000 4 150 810 600 5325 Result is\001 4 0 -1 0 0 18 13 0.0000 4 195 1260 600 6675 Existing SAIs\001 4 0 -1 0 0 18 13 0.0000 4 135 1605 600 9300 Name of New SAI\001 4 1 -1 0 0 18 13 0.0000 4 195 960 1500 1215 Alignment\001 4 1 -1 0 0 18 13 0.0000 4 180 735 1500 3300 Species\001 4 2 -1 0 0 18 11 0.0000 4 120 240 3495 9120 0%\001 4 2 -1 0 0 18 11 0.0000 4 120 330 3555 8280 50%\001 4 2 -1 0 0 18 11 0.0000 4 120 420 3555 7350 100%\001 4 1 -1 0 0 18 11 0.0000 4 90 90 4080 8520 a\001 4 1 -1 0 0 18 11 0.0000 4 90 90 4620 8520 a\001 4 1 -1 0 0 18 11 0.0000 4 90 90 5190 8520 a\001 4 0 -1 0 0 18 12 0.0000 4 150 600 6825 7575 $upper\001 4 0 -1 0 0 18 13 0.0000 4 135 510 6150 8040 lower\001 4 0 -1 0 0 18 13 0.0000 4 150 540 6150 7575 upper\001 4 0 -1 0 0 18 12 0.0000 4 135 570 6825 8100 $lower\001 4 2 -1 0 0 18 11 0.0000 4 120 690 6525 9375 columns\001 4 1 -1 0 0 18 11 0.0000 4 120 135 6285 5265 G\001 4 1 -1 0 0 18 11 0.0000 4 120 120 5820 5265 C\001 4 1 -1 0 0 18 11 0.0000 4 120 120 5355 5280 A\001 4 1 -1 0 0 18 11 0.0000 4 120 105 6720 5295 T\001 4 1 -1 0 0 18 13 0.0000 4 180 1335 6525 4305 $considbound\001 4 2 -1 0 0 18 11 0.0000 4 120 420 4950 3930 100%\001 4 2 -1 0 0 18 11 0.0000 4 120 330 4965 4650 50%\001 4 2 -1 0 0 18 11 0.0000 4 120 240 4950 5280 0%\001 4 1 -1 0 0 0 12 0.0000 4 75 75 4605 9780 a\001 4 1 -1 0 0 0 12 0.0000 4 105 135 5175 9795 A\001 4 1 -1 0 0 18 13 0.0000 4 180 720 3525 4425 (IUPAC)\001 4 1 -1 0 0 18 13 0.0000 4 180 750 3525 4125 simplify\001 4 0 -1 0 0 18 11 0.0000 4 120 120 5550 6075 R\001 4 0 -1 0 0 18 13 0.0000 4 195 660 3150 4875 $group\001 4 1 -1 0 0 18 13 0.0000 4 180 2040 5175 3555 Simplify Using IUPAC\001 4 1 -1 0 0 18 13 0.0000 4 135 3045 5025 6750 Show as UPPER or lower Case ?\001 4 2 -1 0 0 18 12 0.0000 4 30 45 4095 9750 .\001 4 0 -1 0 0 18 11 0.0000 4 120 120 4450 5765 A\001 4 1 -1 0 0 18 13 0.0000 4 195 1260 7035 5980 $showgroups\001 4 1 -1 0 0 18 11 0.0000 4 90 720 3850 5755 use max:\001 4 1 -1 0 0 18 11 0.0000 4 150 2640 5070 7125 most frequent character or group\001 4 1 -1 0 0 18 13 0.0000 4 195 1050 7197 2158 $gapbound\001 4 0 -1 0 0 18 13 0.0000 4 195 1155 3735 1935 count gaps?\001 4 1 -1 0 0 18 13 0.0000 4 135 495 3285 1440 100%\001 4 1 -1 0 0 18 13 0.0000 4 135 615 4050 1440 <100%\001 4 1 -1 0 0 18 13 0.0000 4 150 2115 6525 3855 threshold for character\001 4 1 -1 0 0 18 13 0.0000 4 195 2190 5355 1125 What to Do with Gaps ?\001 4 0 -1 0 0 18 13 0.0000 4 150 960 6480 5580 characters\001 4 0 -1 0 0 18 13 0.0000 4 150 585 3285 9810 result:\001 4 1 -1 0 0 18 11 0.0000 4 150 990 5850 5850 form groups\001 ./arbsrc_9167/lib/pictures/consensus/groups.fig0000644012664100000130000000444111213220012021554 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 600 1875 3940 1875 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 525 1050 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2731 1875 2731 4275 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2180 1613 2180 4275 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1050 1875 1050 4275 2 2 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 5 595 1608 3934 1608 3934 4274 595 4274 595 1608 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 4003 4353 4 1 -1 0 0 18 11 0.0000 4 120 135 825 2100 M\001 4 1 -1 0 0 18 11 0.0000 4 120 120 825 2310 R\001 4 1 -1 0 0 18 11 0.0000 4 120 150 825 2520 W\001 4 1 -1 0 0 18 11 0.0000 4 120 105 825 2730 S\001 4 1 -1 0 0 18 11 0.0000 4 120 105 825 2940 Y\001 4 1 -1 0 0 18 11 0.0000 4 120 120 825 3150 K\001 4 1 -1 0 0 18 11 0.0000 4 120 105 825 3360 V\001 4 1 -1 0 0 18 11 0.0000 4 120 120 825 3570 H\001 4 1 -1 0 0 18 11 0.0000 4 120 120 825 3780 D\001 4 1 -1 0 0 18 11 0.0000 4 120 120 825 3990 B\001 4 1 -1 0 0 18 11 0.0000 4 120 330 1650 2100 A C\001 4 1 -1 0 0 18 11 0.0000 4 120 345 1650 2310 A G\001 4 1 -1 0 0 18 11 0.0000 4 120 315 1650 2520 A T\001 4 1 -1 0 0 18 11 0.0000 4 120 345 1650 2730 C G\001 4 1 -1 0 0 18 11 0.0000 4 120 315 1650 2940 C T\001 4 1 -1 0 0 18 11 0.0000 4 120 330 1650 3150 G T\001 4 1 -1 0 0 18 11 0.0000 4 120 525 1650 3570 A C T\001 4 1 -1 0 0 18 11 0.0000 4 120 540 1650 3780 A G T\001 4 1 -1 0 0 18 11 0.0000 4 120 540 1650 3990 C G T\001 4 1 -1 0 0 18 11 0.0000 4 120 120 825 4200 N\001 4 0 -1 0 0 18 13 0.0000 4 180 330 750 1425 $ok\001 4 1 -1 0 0 18 11 0.0000 4 120 555 1650 3360 A C G\001 4 1 -1 0 0 18 11 0.0000 4 120 615 1650 4200 G A T C\001 4 1 -1 0 0 18 13 0.0000 4 135 405 1425 1800 DNA\001 4 1 -1 0 0 18 11 0.0000 4 120 120 2478 2101 A\001 4 1 -1 0 0 18 11 0.0000 4 120 120 2478 2311 D\001 4 1 -1 0 0 18 11 0.0000 4 120 120 2478 2521 H\001 4 1 -1 0 0 18 11 0.0000 4 120 45 2478 2731 I\001 4 1 -1 0 0 18 11 0.0000 4 120 105 2478 2941 F\001 4 1 -1 0 0 18 11 0.0000 4 120 750 3303 2101 P A G S T\001 4 1 -1 0 0 18 11 0.0000 4 120 930 3303 2311 Q N E D B Z\001 4 1 -1 0 0 18 11 0.0000 4 120 450 3303 2521 H K R\001 4 1 -1 0 0 18 11 0.0000 4 120 525 3303 2731 L I V M\001 4 1 -1 0 0 18 11 0.0000 4 120 450 3303 2941 F Y W\001 4 1 -1 0 0 18 13 0.0000 4 135 1170 3078 1801 Amino acids\001 ./arbsrc_9167/lib/pictures/consensus/main.fig0000644012664100000130000000246111213220012021161 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 29 224 179 224 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 165 130 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 139 558 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 179 620 179 424 29 424 29 620 179 620 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 189 669 19 669 19 49 189 49 189 669 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 179 354 179 89 29 89 29 354 179 354 9999 9999 4 2 18 13 0 -1 0 0.00000 4 15 129 174 216 $to:which_alignment 4 1 18 13 0 -1 0 0.00000 4 15 41 121 608 $name 4 0 18 13 0 -1 0 0.00000 4 15 65 34 469 $save_box 4 0 18 13 0 -1 0 0.00000 4 17 38 34 604 name: 4 1 18 13 0 -1 0 0.00000 4 15 84 104 414 $showgroups 4 1 18 13 0 -1 0 0.00000 4 17 45 104 384 $expert 4 0 18 13 0 -1 0 0.00000 4 15 113 34 139 $which_alignment 4 1 18 13 0 -1 0 0.00000 4 15 62 99 109 alignment 4 2 18 13 0 -1 0 0.00000 4 15 81 174 589 $to:save_box 4 1 18 13 0 -1 0 0.00000 4 15 22 109 444 SAI 4 2 18 12 0 -1 0 0.00000 4 15 31 179 79 $help 4 0 18 13 0 -1 0 0.00000 4 15 47 29 79 $cancel 4 1 18 13 0 -1 0 0.00000 4 15 47 59 264 species 4 0 18 13 0 -1 0 0.00000 4 15 98 94 254 $which_species 4 1 18 13 0 -1 0 0.00000 4 15 54 64 314 simplify  4 1 18 13 0 -1 0 0.00000 4 15 48 64 334 (IUPAC) 4 0 18 13 0 -1 0 0.00000 4 15 44 94 314 $group 4 1 18 13 0 -1 0 0.00000 4 17 62 104 654 $calculate ./arbsrc_9167/lib/pictures/consensus/max_freq.fig0000644012664100000130000000143111440743000022044 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 319 399 319 39 79 39 79 399 319 399 9999 9999 4 2 18 12 0 -1 0 0.00000 4 15 31 314 64 $help 4 1 18 12 0 -1 0 0.00000 4 15 157 199 89 For each column calculate 4 1 18 12 0 -1 0 0.00000 4 15 197 199 107 the frequency of the most frequent 4 1 18 12 0 -1 0 0.00000 4 15 59 199 125 character. 4 1 18 12 0 -1 0 0.00000 4 15 21 199 394 $go 4 2 18 12 0 -1 0 0.00000 4 15 39 309 364 $to:sai 4 1 18 12 0 -1 0 0.00000 4 15 124 199 219 and store the result in 4 0 18 12 0 -1 0 0.00000 4 15 69 94 169 Ignore Gaps 4 0 18 12 0 -1 0 0.00000 4 15 35 239 174 $gaps 4 0 18 12 0 -1 0 0.00000 4 15 45 94 64 $cancel 4 0 18 12 0 -1 0 0.00000 4 15 35 89 244 $save 4 2 18 12 0 -1 0 0.00000 4 15 50 309 244 $to:save 4 0 18 12 0 -1 0 0.00000 4 15 24 89 274 $sai ./arbsrc_9167/lib/pictures/conservProfile2Gnuplot.fig0000644012664100000130000000423411440743000022661 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1710 5445 6030 6705 4 0 -1 0 0 2 10 0.0000 4 105 840 5175 5580 MAXIMUM\001 4 0 -1 0 0 2 10 0.0000 4 105 975 3330 5580 MINIMUM\001 4 0 -1 0 0 18 12 0.0000 4 165 600 4950 6075 $maxX\001 4 0 -1 0 0 18 12 0.0000 4 165 600 4950 6660 $maxY\001 4 0 -1 0 0 18 12 0.0000 4 165 540 3105 6075 $minX\001 4 0 -1 0 0 18 12 0.0000 4 165 540 3105 6660 $minY\001 4 0 -1 0 0 2 14 0.0000 4 195 810 1710 6570 Y Range\001 4 0 -1 0 0 2 14 0.0000 4 195 810 1710 6030 X Range\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1125 630 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 7 2430 1845 1170 1845 1170 4905 7200 4905 7200 1845 4860 1845 4905 1845 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 7 2970 5130 1125 5130 1125 8235 7200 8235 7200 5130 4680 5130 4725 5130 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7245 8775 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 975 $close\001 4 0 -1 0 0 2 14 0.0000 4 195 2400 1425 1425 Base Frequency FILTER\001 4 2 -1 0 0 18 12 0.0000 4 180 465 7155 945 $help\001 4 0 -1 0 0 2 14 0.0000 4 150 900 1440 4590 Filename\001 4 0 -1 0 0 2 14 0.0000 4 195 1620 1485 8100 Display Positions\001 4 0 -1 0 0 18 12 0.0000 4 165 765 2835 7605 $smooth\001 4 0 -1 0 0 18 12 0.0000 4 165 420 1440 2700 $box\001 4 0 -1 0 0 18 12 0.0000 4 180 675 2835 7155 $legend\001 4 0 -1 0 0 2 14 0.0000 4 195 1065 1530 7605 Smoothing \001 4 0 -1 0 0 2 14 0.0000 4 195 675 1530 7110 Legend\001 4 0 -1 0 0 18 12 0.0000 4 180 795 3330 8145 $dispPos\001 4 0 -1 0 0 2 14 0.0000 4 195 1665 3060 5175 GRAPH Settings \001 4 0 -1 0 0 18 12 0.0000 4 180 960 2610 4590 $file_name\001 4 0 -1 0 0 18 12 0.0000 4 180 1140 4185 1440 $baseFreqFlt\001 4 0 -1 0 0 18 12 0.0000 4 180 1380 6660 1440 $to:baseFreqFlt\001 4 0 -1 0 0 2 10 0.0000 4 105 2265 2520 1890 SAVE EXPORTED VALUES IN\001 4 2 -1 0 0 18 12 0.0000 4 165 840 7065 4230 $to:X:box\001 4 2 -1 0 0 18 12 0.0000 4 180 1380 6930 4770 $to:X:file_name\001 4 0 -1 0 0 2 10 0.0000 4 150 2625 1485 2295 DIRECTORIES (D) AND FILES (F)\001 4 0 -1 0 0 18 12 0.0000 4 180 915 6750 7110 $to:legend\001 4 1 -1 0 0 18 12 0.0000 4 180 1035 2250 8685 $dispProfile\001 4 1 -1 0 0 18 12 0.0000 4 180 1275 6615 8685 $to:dispProfile\001 ./arbsrc_9167/lib/pictures/cpro/calc.fig0000644012664100000130000000244011213220012020057 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 6600 4650 6600 300 300 300 300 4650 6600 4650 4 0 -1 0 0 18 13 0.0000 4 180 600 525 675 $close\001 4 0 -1 0 0 18 13 0.0000 4 180 930 525 2250 $calculate\001 4 1 -1 0 0 18 13 0.0000 4 180 990 1500 4350 $transratio\001 4 1 -1 0 0 18 13 0.0000 4 180 1365 1500 3300 expected ratio \001 4 1 -1 0 0 18 13 0.0000 4 135 1230 1500 3570 of transitions\001 4 1 -1 0 0 18 13 0.0000 4 135 1500 1500 3840 to transversions\001 4 1 -1 0 0 18 13 0.0000 4 195 1470 5175 975 $which_species\001 4 1 -1 0 0 18 13 0.0000 4 180 1755 5175 3300 additional memory\001 4 1 -1 0 0 18 13 0.0000 4 135 675 5175 3600 needed\001 4 1 -1 0 0 18 13 0.0000 4 180 1290 5175 4125 $memstatistic\001 4 1 -1 0 0 18 13 0.0000 4 180 705 5175 600 species\001 4 0 -1 0 0 18 13 0.0000 4 195 570 525 1275 $xpert\001 4 1 -1 0 0 18 13 0.0000 4 180 1215 3300 3300 count gaps ?\001 4 1 -1 0 0 18 13 0.0000 4 195 1080 3300 3750 $countgaps\001 4 0 -1 0 0 18 13 0.0000 4 195 1695 2025 1050 $which_alignment\001 4 1 -1 0 0 18 13 0.0000 4 180 930 2925 675 alignment\001 4 2 -1 0 0 18 13 0.0000 4 195 1935 3825 2475 $to:which_alignment\001 4 1 -1 0 0 18 13 0.0000 4 180 1050 5250 2625 $resolution\001 4 1 -1 0 0 18 13 0.0000 4 135 1005 5250 2250 resolution:\001 ./arbsrc_9167/lib/pictures/cpro/condense.fig0000644012664100000130000000112611213220012020753 0ustar arb_buildcoders#FIG 2.1 80 2 6 244 79 389 279 2 2 0 1 -1 0 0 0 0.000 0 0 0 389 279 389 84 244 84 244 279 389 279 9999 9999 4 0 18 13 0 -1 0 0.00000 4 16 63 249 130 $save_box 4 1 18 13 0 -1 0 0.00000 4 16 55 317 100 export as 4 0 18 13 0 -1 0 0.00000 4 16 37 249 264 name: 4 2 18 13 0 -1 0 0.00000 4 16 78 384 248 $to:save_box 4 1 18 13 0 -1 0 0.00000 4 16 40 336 269 $name -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 394 284 394 79 79 79 79 284 394 284 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 89 104 $close 4 1 18 13 0 -1 0 0.00000 4 17 86 159 154 $which_result 4 1 18 13 0 -1 0 0.00000 4 17 42 159 249 $begin ./arbsrc_9167/lib/pictures/cpro/csp_2_gnuplot.fig0000644012664100000130000000342711440743000021752 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1125 630 2 1 0 3 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1305 9720 5850 9720 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 9045 11790 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 975 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 2625 1425 1425 Select your column statistic\001 4 0 -1 0 0 18 12 0.0000 4 180 420 1350 1800 $csp\001 4 1 -1 0 0 18 12 0.0000 4 165 540 4200 9000 $save\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1425 5775 Filter\001 4 0 -1 0 0 18 12 0.0000 4 180 1530 1425 6375 (D)irectories and\001 4 0 -1 0 0 18 12 0.0000 4 180 585 1425 6675 (F)iles\001 4 0 -1 0 0 18 12 0.0000 4 135 1320 1425 8175 Enter Filename\001 4 0 -1 0 0 18 12 0.0000 4 180 960 3225 8250 $file_name\001 4 0 -1 0 0 18 12 0.0000 4 180 945 1425 5145 Smoothing\001 4 0 -1 0 0 18 12 0.0000 4 165 765 3240 5220 $smooth\001 4 0 -1 0 0 18 12 0.0000 4 180 840 3240 5850 $ap_filter\001 4 0 -1 0 0 18 12 0.0000 4 165 420 3225 6435 $box\001 4 2 -1 0 0 18 12 0.0000 4 180 465 8715 975 $help\001 4 2 -1 0 0 18 12 0.0000 4 165 840 8715 7725 $to:X:box\001 4 2 -1 0 0 18 12 0.0000 4 180 1380 8715 8505 $to:X:file_name\001 4 0 -1 0 0 18 12 0.0000 4 180 3330 1425 9585 Special settings for Save&View only:\001 4 0 -1 0 0 18 12 0.0000 4 180 1710 1740 10050 GnuPlot Smoothing\001 4 0 -1 0 0 18 12 0.0000 4 180 885 1740 11115 $overlay2\001 4 0 -1 0 0 18 12 0.0000 4 180 1245 1740 11655 $del_overlays\001 4 0 -1 0 0 18 12 0.0000 4 180 885 1740 10620 $overlay1\001 4 2 -1 0 0 18 12 0.0000 4 135 2700 8730 1440 Kind of information to extract:\001 4 0 -1 0 0 18 12 0.0000 4 165 555 5220 1800 $what\001 4 2 -1 0 0 18 12 0.0000 4 165 975 8715 4725 $to:X:what\001 4 2 -1 0 0 18 12 0.0000 4 180 660 4860 4680 $to:csp\001 4 0 -1 0 0 18 12 0.0000 4 165 870 3645 10125 $smooth2\001 ./arbsrc_9167/lib/pictures/cpro/expert.fig0000644012664100000130000000413311213220012020465 0ustar arb_buildcoders#FIG 2.1 80 2 6 29 384 359 534 2 1 0 1 -1 0 0 0 0.000 -1 0 0 29 409 339 409 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 339 534 339 384 29 384 29 534 339 534 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 106 304 509 $firstreachedstep 4 1 18 13 0 -1 0 0.00000 4 17 247 164 434 show upper case if max >= % 4 1 18 13 0 -1 0 0.00000 4 17 62 239 439 $leastmax 4 1 18 15 0 -1 0 0.00000 4 18 127 189 404 condense statistic 4 1 18 13 0 -1 0 0.00000 4 17 183 149 469 threshold (in per cent of max) 4 1 18 13 0 -1 0 0.00000 4 15 77 304 474 $firsttoreach 4 1 18 13 0 -1 0 0.00000 4 17 229 149 504 step to increase character in per cent -6 6 59 309 159 358 4 1 18 13 0 -1 0 0.00000 4 17 94 109 358 $gridhorizontal 4 1 18 13 0 -1 0 0.00000 4 15 92 109 326 horizontal grid -6 6 229 309 309 358 4 1 18 13 0 -1 0 0.00000 4 17 77 269 358 $gridvertical 4 1 18 13 0 -1 0 0.00000 4 15 74 269 326 vertical grid -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 29 74 339 74 9999 9999 2 1 1 1 -1 0 0 0 4.000 -1 0 0 29 164 334 164 339 164 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 339 199 339 49 29 49 29 199 339 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 344 544 344 9 24 9 24 544 344 544 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 29 241 339 241 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 339 369 339 214 29 214 29 369 339 369 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 34 34 $close 4 1 18 15 0 -1 0 0.00000 4 18 121 184 69 calculate statistic 4 1 18 13 0 -1 0 0.00000 4 15 177 134 184 memory needed for partition 4 1 18 13 0 -1 0 0.00000 4 15 90 264 189 $mempartition 4 1 18 13 0 -1 0 0.00000 4 17 59 264 149 $partition 4 1 18 13 0 -1 0 0.00000 4 17 97 264 109 $leastcompares 4 1 18 13 0 -1 0 0.00000 4 17 96 134 149 size of partition 4 1 18 13 0 -1 0 0.00000 4 17 112 134 114 of two sequences  4 1 18 13 0 -1 0 0.00000 4 17 110 134 94 minimum overlap 4 1 18 13 0 -1 0 0.00000 4 17 301 184 263 show only columns which are at least calculated 4 1 18 13 0 -1 0 0.00000 4 15 65 109 295 $leastaccu 4 1 18 13 0 -1 0 0.00000 4 17 293 184 288 out of sequence-pairs of that distance 4 1 18 15 0 -1 0 0.00000 4 18 83 184 236 show graph ./arbsrc_9167/lib/pictures/cpro/main.fig0000644012664100000130000000256411213220012020110 0ustar arb_buildcoders#FIG 2.1 80 2 6 139 29 234 324 4 1 18 13 0 -1 0 0.00000 4 17 47 194 169 $show1 4 1 18 13 0 -1 0 0.00000 4 17 74 194 209 $condense1 4 1 18 13 0 -1 0 0.00000 4 17 69 194 49 $calculate1 4 1 18 13 0 -1 0 0.00000 4 17 42 194 129 $save1 4 1 18 13 0 -1 0 0.00000 4 17 41 194 89 $load1 4 1 18 13 0 -1 0 0.00000 4 17 62 194 264 $memfor1 4 1 18 13 0 -1 0 0.00000 4 17 77 179 294 $resolution1 4 1 18 13 0 -1 0 0.00000 4 17 51 194 324 $which1 -6 6 294 29 389 324 4 1 18 13 0 -1 0 0.00000 4 17 47 349 169 $show2 4 1 18 13 0 -1 0 0.00000 4 17 74 349 209 $condense2 4 1 18 13 0 -1 0 0.00000 4 17 69 349 49 $calculate2 4 1 18 13 0 -1 0 0.00000 4 17 42 349 129 $save2 4 1 18 13 0 -1 0 0.00000 4 17 41 349 89 $load2 4 1 18 13 0 -1 0 0.00000 4 17 62 349 264 $memfor2 4 1 18 13 0 -1 0 0.00000 4 17 77 334 294 $resolution2 4 1 18 13 0 -1 0 0.00000 4 17 51 349 324 $which2 -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 269 24 269 334 119 334 119 24 269 24 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 429 339 429 19 19 19 19 339 429 339 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 424 24 424 334 274 334 274 24 424 24 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 34 44 $close 4 1 18 13 0 -1 0 0.00000 4 17 67 69 259 in memory 4 1 18 13 0 -1 0 0.00000 4 17 63 69 289 resolution 4 1 18 13 0 -1 0 0.00000 4 17 47 69 319 species 4 0 18 13 0 -1 0 0.00000 4 17 38 34 84 $xpert 4 0 18 12 0 -1 0 0.00000 4 15 31 34 124 $help ./arbsrc_9167/lib/pictures/cpro/parsimony.fig0000644012664100000130000000252211213220012021177 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1350 5355 3420 5625 4 0 -1 0 0 18 12 0.0000 4 180 1140 1350 5490 Existing SAIs\001 4 0 -1 0 0 18 12 0.0000 4 165 420 3000 5565 $box\001 -6 6 2205 1260 6480 1710 4 1 -1 0 0 18 12 0.0000 4 180 4260 4350 1650 ( Note: The calculated SAI needs a lot of memory )\001 4 1 -1 0 0 18 12 0.0000 4 180 2880 4350 1425 Calculate the positional variability\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1170 630 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7785 8865 4 0 -1 0 0 18 12 0.0000 4 135 2535 1350 4500 Enter name of destination SAI\001 4 0 -1 0 0 18 12 0.0000 4 165 585 3000 4950 $name\001 4 0 -1 0 0 18 12 0.0000 4 165 555 3000 2100 $trees\001 4 0 -1 0 0 18 12 0.0000 4 135 1455 1425 2025 Choose a source\001 4 0 -1 0 0 18 12 0.0000 4 120 405 1425 2295 tree:\001 4 0 -1 0 0 18 12 0.0000 4 180 1230 1425 2565 Largest Tree\001 4 0 -1 0 0 18 12 0.0000 4 180 1275 1425 2835 calculated by\001 4 0 -1 0 0 18 12 0.0000 4 180 1155 1425 3105 parsimony !\001 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 975 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 645 7440 975 $X:help\001 4 2 -1 0 0 18 12 0.0000 4 165 960 7440 4200 $to:X:trees\001 4 0 -1 0 0 18 12 0.0000 4 180 495 1500 8775 $Y:go\001 4 2 -1 0 0 18 12 0.0000 4 165 945 7440 8250 $to:XY:box\001 4 2 -1 0 0 18 12 0.0000 4 165 990 7440 5130 $to:X:name\001 ./arbsrc_9167/lib/pictures/cpro/show.fig0000644012664100000130000000062711213220012020142 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 79 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 469 314 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 15 179 124 $d 4 1 18 13 0 -1 0 0.00000 4 17 54 219 124 $column 4 1 18 13 0 -1 0 0.00000 4 17 15 259 124 $u 4 0 18 13 0 -1 0 0.00000 4 17 72 279 129 $drawmode 4 1 18 13 0 -1 0 0.00000 4 17 85 444 129 $maxdistance 4 0 18 13 0 -1 0 0.00000 4 15 40 89 124 $close ./arbsrc_9167/lib/pictures/dbbrowser.fig0000644012664100000130000000201011213220012020174 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 825 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8865 10200 8865 10275 4 0 -1 0 0 18 13 0.0000 4 180 600 750 1200 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 645 8700 1200 $X:help\001 4 2 -1 0 0 18 13 0.0000 4 195 945 8700 2385 $to:X:path\001 4 0 -1 0 0 18 13 0.0000 4 135 420 855 2250 Path\001 4 0 -1 0 0 18 13 0.0000 4 135 840 855 1755 Database\001 4 0 -1 0 0 18 13 0.0000 4 135 1335 855 7695 Y:Information:\001 4 2 -1 0 0 18 13 0.0000 4 180 1350 8700 7380 $to:XY:browse\001 4 2 -1 0 0 18 13 0.0000 4 180 1035 8700 10170 $to:XY:info\001 4 0 -1 0 0 18 13 0.0000 4 135 750 855 2790 Browse:\001 4 0 -1 0 0 18 13 0.0000 4 180 780 855 3150 $browse\001 4 0 -1 0 0 18 13 0.0000 4 180 660 855 8190 $Y:info\001 4 0 -1 0 0 18 13 0.0000 4 195 510 2115 2250 $path\001 4 0 -1 0 0 18 13 0.0000 4 180 345 2115 1755 $db\001 4 0 -1 0 0 18 13 0.0000 4 195 1080 4050 2745 $navigation\001 4 0 -1 0 0 18 13 0.0000 4 180 600 2115 2745 $order\001 ./arbsrc_9167/lib/pictures/di_cancel.fig0000644012664100000130000000173011213220012020114 0ustar arb_buildcoders#FIG 2.1 80 2 6 189 194 349 234 2 2 0 1 -1 0 0 0 0.000 0 0 0 349 234 349 199 189 199 189 234 349 234 9999 9999 4 1 14 13 0 -1 0 0.00000 4 17 136 269 214 ACGT....TYccYY--- 4 1 14 13 0 -1 0 0.00000 4 17 136 269 229 AGGCTTGAT..GTAAG- -6 6 209 44 319 79 2 1 0 1 -1 0 0 0 0.000 -1 0 0 209 69 319 69 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 219 79 304 79 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 110 264 64 Remove Columns -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 219 149 249 194 249 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 249 194 234 194 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 354 284 354 39 74 39 74 284 354 284 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 34 79 119 If any 4 0 18 13 0 -1 0 0.00000 4 17 91 79 224 cancel column 4 0 18 13 0 -1 0 0.00000 4 17 214 79 149 occur in any of the two Sequences 4 1 18 13 0 -1 0 0.00000 4 17 47 214 124 $cancel 4 0 18 13 0 -1 0 0.00000 4 17 40 89 69 $close 4 0 18 13 0 -1 0 0.00000 4 17 239 79 279 (Warning: Uppercase = Lowercase !!!!) ./arbsrc_9167/lib/pictures/di_ge_ma.fig0000644012664100000130000000736311440743000017760 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 12825 7245 13905 7875 4 0 -1 0 0 18 12 0.0000 4 135 1125 12825 7380 No. of trees:\001 4 0 -1 0 0 18 12 0.0000 4 165 705 12825 7830 $bcount\001 -6 6 12645 1530 13815 2205 4 2 -1 0 0 18 12 0.0000 4 180 1155 13815 2160 $mark_upper\001 4 2 -1 0 0 18 12 0.0000 4 180 1155 13815 1710 $mark_lower\001 -6 6 8145 2430 14490 4050 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8175 4020 14475 4020 4 0 -1 0 0 18 12 0.0000 4 135 1620 8175 2595 Trees in Database\001 4 0 -1 0 0 18 12 0.0000 4 180 840 9975 2745 $tree_list\001 4 2 -1 0 0 18 12 0.0000 4 180 1260 14310 3870 $to:X:tree_list\001 -6 6 8145 4275 14490 6165 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8175 6150 14475 6150 4 0 -1 0 0 18 12 0.0000 4 165 900 8175 4575 $calculate\001 4 0 -1 0 0 18 12 0.0000 4 180 1215 12825 4425 $view_matrix\001 4 0 -1 0 0 18 12 0.0000 4 180 975 10425 4575 $compress\001 4 0 -1 0 0 18 13 0.0000 4 210 1350 12825 4875 $save_matrix\001 4 0 -1 0 0 18 13 0.0000 4 210 1560 8175 5850 $use_sort_tree\001 4 0 -1 0 0 18 13 0.0000 4 210 1800 8175 5400 $use_compr_tree\001 4 0 -1 0 0 18 12 0.0000 4 180 1710 11100 5400 $compr_tree_name\001 4 0 -1 0 0 18 12 0.0000 4 180 1515 11100 5850 $sort_tree_name\001 4 2 -1 0 0 18 12 0.0000 4 180 2130 14325 5550 $to:X:compr_tree_name\001 4 2 -1 0 0 18 12 0.0000 4 180 1935 14325 6000 $to:X:sort_tree_name\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1050 675 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1275 3225 7500 3225 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1275 5700 7500 5700 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 7800 1500 7800 7965 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8175 2295 14475 2295 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 14625 8010 4 0 -1 0 0 18 12 0.0000 4 165 570 1200 1125 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 14475 1125 $help\001 4 0 -1 0 0 18 12 0.0000 4 180 1170 3975 3675 $filter_select\001 4 0 -1 0 0 18 12 0.0000 4 180 1455 3975 4275 $weights_select\001 4 0 -1 0 0 18 13 0.0000 4 210 1515 3975 4875 $which_cancel\001 4 0 -1 0 0 18 12 0.0000 4 135 2565 1275 5400 User defined distance matrix\001 4 0 -1 0 0 18 12 0.0000 4 180 1410 3975 5475 $change_matrix\001 4 2 -1 0 0 18 12 0.0000 4 180 1650 5700 5475 $to:change_matrix\001 4 0 -1 0 0 18 12 0.0000 4 135 570 6000 5400 enable\001 4 0 -1 0 0 18 12 0.0000 4 135 1395 1275 4800 Exclude Column\001 4 0 -1 0 0 18 12 0.0000 4 180 1845 1275 4200 Weights/Rates/GC ...\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1275 3600 Filter\001 4 0 -1 0 0 18 12 0.0000 4 165 1065 3975 6750 $autodetect\001 4 0 -1 0 0 18 12 0.0000 4 135 915 1275 6150 Correction\001 4 0 -1 0 0 18 12 0.0000 4 180 1635 3975 6225 $which_correction\001 4 0 -1 0 0 18 12 0.0000 4 180 1275 1275 1800 Which Species\001 4 2 -1 0 0 18 12 0.0000 4 180 1650 7575 6225 $correction_select\001 4 2 -1 0 0 18 12 0.0000 4 180 1410 7575 3675 $to:filter_select\001 4 2 -1 0 0 18 12 0.0000 4 180 1695 7575 4275 $to:weights_select\001 4 2 -1 0 0 18 12 0.0000 4 180 1320 7575 4875 $cancel_select\001 4 0 -1 0 0 18 12 0.0000 4 165 675 6825 5475 $enable\001 4 0 -1 0 0 18 12 0.0000 4 180 1410 1500 2325 $which_species\001 4 0 -1 0 0 18 12 0.0000 4 180 870 3150 1800 Alignment\001 4 0 -1 0 0 18 12 0.0000 4 180 1590 4350 1800 $which_alignment\001 4 2 -1 0 0 18 12 0.0000 4 180 1830 7575 3075 $to:which_alignment\001 4 0 -1 0 0 18 12 0.0000 4 180 1410 8235 1755 $mark_distance\001 4 0 -1 0 0 18 13 0.0000 4 210 1425 8175 6765 $use_existing\001 4 0 -1 0 0 18 12 0.0000 4 180 1515 11100 6765 $calc_tree_name\001 4 2 -1 0 0 18 12 0.0000 4 180 1935 14325 6915 $to:X:calc_tree_name\001 4 0 -1 0 0 18 12 0.0000 4 180 1080 8175 7515 $t_calculate\001 4 0 -1 0 0 18 12 0.0000 4 180 960 10425 7515 $bootstrap\001 4 0 -1 0 0 18 12 0.0000 4 135 3255 8505 2070 where distance to selected is inside:\001 ./arbsrc_9167/lib/pictures/displayField.fig0000644012664100000130000000635111213220012020630 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1845 1080 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1890 1800 7020 1800 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7110 1035 4 1 -1 0 0 18 11 0.0000 4 135 690 4590 2205 $dbField\001 4 0 -1 0 0 2 12 0.0000 4 135 1155 1935 2160 DataBase Field\001 4 1 -1 0 0 2 12 0.0000 4 135 3285 4500 1395 Select DataBase Field or ACI to DISPLAY\001 4 1 -1 0 0 2 12 0.0000 4 180 2820 4455 1620 along with the PROBE information :\001 4 1 -1 0 0 18 11 0.0000 4 135 795 2340 2700 $aciSelect\001 4 1 -1 0 0 18 11 0.0000 4 135 690 3375 2700 $aciCmd\001 4 0 -1 0 0 2 12 0.0000 4 180 1125 1935 3150 Display Width\001 4 1 -1 0 0 18 11 0.0000 4 135 540 3735 3195 $width\001 4 1 -1 0 0 18 11 0.0000 4 135 915 7065 2700 $to:aciCmd\001 4 0 -1 0 0 18 11 0.0000 4 135 510 5040 3195 $close\001 ./arbsrc_9167/lib/pictures/ed_al_ex.fig0000644012664100000130000000203411213220012017751 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 399 479 19 59 19 59 399 479 399 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 454 369 454 89 84 89 84 369 454 369 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 59 $close 4 0 18 13 0 -1 0 0.00000 4 17 254 99 119 Max. relative distance to family members 4 0 18 13 0 -1 0 0.00000 4 17 41 379 119 $minw 4 0 18 13 0 -1 0 0.00000 4 17 197 99 159 Max. weight for extended family 4 0 18 13 0 -1 0 0.00000 4 17 50 379 159 $maxew 4 0 18 13 0 -1 0 0.00000 4 17 167 99 199 Reduce secure intervals by 4 0 18 13 0 -1 0 0.00000 4 17 19 379 199 $ib 4 0 18 13 0 -1 0 0.00000 4 17 88 99 239 Interval center 4 0 18 13 0 -1 0 0.00000 4 17 18 379 239 $ic 4 0 18 13 0 -1 0 0.00000 4 17 95 99 279 cost limit for ',' 4 0 18 13 0 -1 0 0.00000 4 17 18 379 279 $cl 4 0 18 13 0 -1 0 0.00000 4 17 99 99 319 cost limit for '-' 4 0 18 13 0 -1 0 0.00000 4 17 26 379 319 $cm 4 0 18 13 0 -1 0 0.00000 4 17 99 99 359 cost limit for '=' 4 0 18 13 0 -1 0 0.00000 4 17 22 379 359 $ch 4 2 18 13 0 -1 0 0.00000 4 17 35 454 59 $save ./arbsrc_9167/lib/pictures/ed_al_sp.fig0000644012664100000130000000635611213220012017772 0ustar arb_buildcoders#FIG 2.1 80 2 6 114 244 259 354 4 0 0 11 0 -1 0 0.00000 4 16 18 118 292 $ca 4 0 0 11 0 -1 0 0.00000 4 16 17 159 292 $cc 4 0 0 11 0 -1 0 0.00000 4 16 18 199 292 $cg 4 0 0 11 0 -1 0 0.00000 4 16 16 241 292 $ct 4 0 0 11 0 -1 0 0.00000 4 16 19 118 321 $ga 4 0 0 11 0 -1 0 0.00000 4 16 18 159 321 $gc 4 0 0 11 0 -1 0 0.00000 4 16 19 199 321 $gg 4 0 0 11 0 -1 0 0.00000 4 16 17 241 321 $gt 4 0 0 11 0 -1 0 0.00000 4 16 17 118 351 $ta 4 0 0 11 0 -1 0 0.00000 4 16 16 159 351 $tc 4 0 0 11 0 -1 0 0.00000 4 16 17 199 351 $tg 4 0 0 11 0 -1 0 0.00000 4 16 16 241 351 $tt 4 0 0 11 0 -1 0 0.00000 4 16 19 118 262 $aa 4 0 0 11 0 -1 0 0.00000 4 16 18 159 262 $ac 4 0 0 11 0 -1 0 0.00000 4 16 19 199 262 $ag 4 0 0 11 0 -1 0 0.00000 4 16 17 241 262 $at -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 379 519 39 79 39 79 379 519 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 424 253 424 264 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 424 261 289 259 294 249 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 307 150 307 187 337 216 379 216 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 394 202 390 205 390 235 394 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 371 194 386 220 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 401 235 500 235 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 379 246 394 246 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 504 283 504 198 401 198 401 283 504 283 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 379 276 398 272 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 449 319 451 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 479 354 489 329 489 304 458 279 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 384 149 384 84 89 84 89 149 384 149 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 289 261 297 268 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 289 368 289 194 92 194 92 368 289 368 9999 9999 2 2 0 1 0 0 0 0 0.000 0 0 0 284 364 114 364 114 229 284 229 284 364 9999 9999 4 1 0 12 0 -1 0 0.00000 4 15 79 375 187 Nearest relatives 4 1 12 14 0 -1 0 0.00000 4 14 92 451 209 ACG-CGGCGAG 4 1 12 14 0 -1 0 0.00000 4 14 92 451 220 ACC-CGGCGCC 4 1 12 14 0 -1 0 0.00000 4 14 92 451 231 ACC-CGGCGAC 4 1 12 14 0 -1 0 0.00000 4 14 92 451 250 ACg-CGGCGac 4 1 12 14 0 -1 0 0.00000 4 14 92 451 276 ACG-C--CGag 4 2 0 12 0 -1 0 0.00000 4 15 68 375 279 The Sequence 4 0 0 14 0 0 0 0.00000 4 16 30 436 364 $igap 4 0 0 14 0 0 0 0.00000 4 16 27 436 335 $gap 4 0 18 13 0 0 0 0.00000 4 17 107 314 335 First Gap Penalty 4 0 18 13 0 0 0 0.00000 4 17 107 314 364 Incr. Gap Penalty 4 0 0 14 0 -1 0 0.00000 4 16 34 89 69 $close 4 2 0 14 0 -1 0 0.00000 4 16 31 499 74 $save 4 0 18 13 0 -1 0 0.00000 4 17 185 94 139 Maximum number of relatives 4 0 0 14 0 -1 0 0.00000 4 16 37 289 139 $maxr 4 0 0 14 0 -1 0 0.00000 4 16 35 289 114 $minr 4 0 18 13 0 -1 0 0.00000 4 17 183 94 114 Minimum number of relatives 4 1 0 15 0 -1 0 0.00000 4 18 111 192 209 The Penalty Matrix 4 2 18 13 0 -1 0 0.00000 4 17 45 499 119 $expert 4 0 0 17 0 -1 0 0.00000 4 19 8 101 257 a 4 0 0 17 0 -1 0 0.00000 4 19 7 101 287 c 4 0 0 17 0 -1 0 0.00000 4 19 7 101 316 g 4 0 0 17 0 -1 0 0.00000 4 19 6 101 346 t 4 0 0 17 0 -1 0 0.00000 4 19 8 138 227 a 4 0 0 17 0 -1 0 0.00000 4 19 7 174 227 c 4 0 0 17 0 -1 0 0.00000 4 19 7 210 227 g 4 0 0 17 0 -1 0 0.00000 4 19 6 248 227 t 4 2 0 12 0 -1 0 0.00000 4 16 52 375 250 Consensus 4 0 18 12 0 -1 0 0.00000 4 15 51 239 69 $marked ./arbsrc_9167/lib/pictures/ed_compl.fig0000644012664100000130000000247611440743000020016 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 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-1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4785 3510 4695 3420 -6 6 4755 3030 5445 3210 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 5280 3060 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5430 3120 4770 3120 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4785 3135 4875 3045 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4785 3105 4875 3195 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 3975 2790 4770 2790 4770 3120 5820 3120 4 0 -1 0 0 18 13 0.0000 4 195 1080 3510 2550 $countgaps\001 -6 6 3105 3240 3375 3510 6 3135 3255 3375 3495 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3195 3255 3315 3255 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3315 3255 3375 3315 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3375 3315 3375 3435 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3375 3435 3315 3495 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3315 3495 3195 3495 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3195 3495 3135 3435 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3135 3435 3135 3315 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3135 3315 3195 3255 -6 4 1 -1 0 0 18 13 0.0000 4 75 120 3255 3435 =\001 -6 6 6660 1440 7605 1980 4 1 -1 0 0 18 13 0.0000 4 180 765 7140 1905 for gaps\001 4 1 -1 0 0 18 13 0.0000 4 150 885 7140 1605 threshold\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3555 7515 3705 7515 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3555 8430 3705 8430 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3660 7695 5790 7695 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3660 8010 5790 8010 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5715 9390 5790 9390 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5790 9390 5625 9300 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5850 8025 6075 8175 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5850 7725 6075 7725 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 4215 9390 4215 8355 3900 8355 3900 9390 4215 9390 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 4785 9390 4785 7890 4455 7890 4455 9390 4785 9390 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 5340 9390 5340 7575 4995 7575 4995 9390 5340 9390 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5025 5130 7350 5130 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 5475 5580 5475 4980 5250 4980 5250 5580 5475 5580 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 5925 5580 5925 5205 5700 5205 5700 5580 5925 5580 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 6375 5580 6375 5055 6150 5055 6150 5580 6375 5580 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 6825 5580 6825 5355 6600 5355 6600 5580 6825 5580 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 6525 4530 7275 5055 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5325 5580 5565 5895 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 6225 5580 6030 5895 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 5025 4080 5025 5580 7425 5580 7275 5505 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 7425 5580 7275 5655 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4950 4080 5100 4080 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4935 4800 5085 4800 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 3 5775 6120 5775 6345 5775 6330 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5790 6330 4380 6330 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 3000 9675 3000 10200 7725 10200 7725 9675 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7725 9675 7725 6750 3000 6750 3000 9675 7725 9675 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7725 6480 7725 3525 3000 3525 3000 6480 7725 6480 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 3660 7530 3660 9300 3660 9390 5790 9390 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5625 9450 5775 9375 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 5 3735 5445 4395 5445 4395 6330 5775 6330 5775 6135 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7740 3210 7740 1125 3000 1125 3000 3210 7740 3210 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5445 2220 6705 2220 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3240 1755 3240 3210 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3225 3195 3315 3105 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3255 3195 3165 3105 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4005 1755 4005 1995 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3990 1980 4080 1890 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4020 1980 3930 1890 4 2 -1 0 0 18 11 0.0000 4 120 240 3495 9345 0%\001 4 2 -1 0 0 18 11 0.0000 4 120 330 3555 8505 50%\001 4 2 -1 0 0 18 11 0.0000 4 120 420 3555 7575 100%\001 4 1 -1 0 0 18 11 0.0000 4 90 90 4080 8745 a\001 4 1 -1 0 0 18 11 0.0000 4 90 90 4620 8745 a\001 4 1 -1 0 0 18 11 0.0000 4 90 90 5190 8745 a\001 4 0 -1 0 0 18 12 0.0000 4 150 600 6825 7800 $upper\001 4 0 -1 0 0 18 13 0.0000 4 135 510 6150 8265 lower\001 4 0 -1 0 0 18 13 0.0000 4 150 540 6150 7800 upper\001 4 0 -1 0 0 18 12 0.0000 4 135 570 6825 8325 $lower\001 4 2 -1 0 0 18 11 0.0000 4 120 690 6525 9600 columns\001 4 1 -1 0 0 18 11 0.0000 4 120 135 6285 5490 G\001 4 1 -1 0 0 18 11 0.0000 4 120 120 5820 5490 C\001 4 1 -1 0 0 18 11 0.0000 4 120 120 5355 5505 A\001 4 1 -1 0 0 18 11 0.0000 4 120 105 6720 5520 T\001 4 1 -1 0 0 18 13 0.0000 4 180 1335 6525 4530 $considbound\001 4 2 -1 0 0 18 11 0.0000 4 120 420 4950 4155 100%\001 4 2 -1 0 0 18 11 0.0000 4 120 330 4965 4875 50%\001 4 2 -1 0 0 18 11 0.0000 4 120 240 4950 5505 0%\001 4 1 -1 0 0 0 12 0.0000 4 75 75 4605 10005 a\001 4 1 -1 0 0 0 12 0.0000 4 105 135 5175 10020 A\001 4 1 -1 0 0 18 13 0.0000 4 180 720 3525 4650 (IUPAC)\001 4 1 -1 0 0 18 13 0.0000 4 180 750 3525 4350 simplify\001 4 0 -1 0 0 18 11 0.0000 4 120 120 5550 6300 R\001 4 0 -1 0 0 18 13 0.0000 4 195 660 3150 5100 $group\001 4 1 -1 0 0 18 13 0.0000 4 180 2040 5175 3780 Simplify Using IUPAC\001 4 1 -1 0 0 18 13 0.0000 4 135 3045 5025 6975 Show as UPPER or lower Case ?\001 4 2 -1 0 0 18 12 0.0000 4 30 45 4095 9975 .\001 4 0 -1 0 0 18 11 0.0000 4 120 120 4450 5990 A\001 4 1 -1 0 0 18 13 0.0000 4 195 1260 7035 6205 $showgroups\001 4 1 -1 0 0 18 11 0.0000 4 90 720 3850 5980 use max:\001 4 1 -1 0 0 18 11 0.0000 4 150 2640 5070 7350 most frequent character or group\001 4 1 -1 0 0 18 13 0.0000 4 195 1050 7197 2383 $gapbound\001 4 0 -1 0 0 18 13 0.0000 4 195 1155 3735 2160 count gaps?\001 4 1 -1 0 0 18 13 0.0000 4 135 495 3285 1665 100%\001 4 1 -1 0 0 18 13 0.0000 4 135 615 4050 1665 <100%\001 4 1 -1 0 0 18 13 0.0000 4 150 2115 6525 4080 threshold for character\001 4 1 -1 0 0 18 13 0.0000 4 195 2190 5355 1350 What to Do with Gaps ?\001 4 0 -1 0 0 18 13 0.0000 4 150 960 6480 5805 characters\001 4 0 -1 0 0 18 13 0.0000 4 150 585 3285 10035 result:\001 4 1 -1 0 0 18 11 0.0000 4 150 990 5850 6075 form groups\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7875 10950 2850 10950 2850 75 7875 75 7875 10950 4 2 -1 0 0 18 12 0.0000 4 150 465 7650 600 $help\001 4 0 -1 0 0 18 12 0.0000 4 135 570 3075 600 $close\001 4 0 -1 0 0 18 12 0.0000 4 135 555 3075 10650 $show\001 ./arbsrc_9167/lib/pictures/edit4/create_seq_fc.fig0000644012664100000130000000137711213220012022016 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9225 5400 9225 600 1125 600 1125 5400 9225 5400 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 8550 1950 8550 1275 1800 1275 1800 1950 8550 1950 4 0 -1 0 0 18 13 0.0000 4 225 1575 1500 2625 $replace_equal\001 4 0 -1 0 0 18 13 0.0000 4 225 1545 1500 3075 $replace_point\001 4 0 -1 0 0 18 13 0.0000 4 225 1995 1500 3525 $replace_start_end\001 4 0 -1 0 0 18 13 0.0000 4 225 735 1500 3975 $upper\001 4 0 -1 0 0 18 13 0.0000 4 210 375 1500 5100 $ok\001 4 0 -1 0 0 18 13 0.0000 4 210 570 1500 4425 $data\001 4 2 -1 0 0 18 13 0.0000 4 210 675 9000 5100 $close\001 4 1 -1 0 0 18 13 0.0000 4 225 660 5175 1725 $input\001 4 1 -1 0 0 18 13 0.0000 4 210 615 5130 900 $label\001 ./arbsrc_9167/lib/pictures/edit4/create_seq.fig0000644012664100000130000000071611213220012021342 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 6975 1875 6975 1275 1800 1275 1800 1875 6975 1875 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 7650 2550 7650 600 1125 600 1125 2550 7650 2550 4 0 -1 0 0 18 13 0.0000 4 210 375 1500 2400 $ok\001 4 1 -1 0 0 18 13 0.0000 4 210 615 4500 900 $label\001 4 1 -1 0 0 18 13 0.0000 4 225 660 4500 1725 $input\001 4 2 -1 0 0 18 13 0.0000 4 210 675 7335 2400 $close\001 ./arbsrc_9167/lib/pictures/edit4/editmenu.fig0000644012664100000130000001364711213220012021050 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 8145 1305 10890 2610 4 0 -1 0 0 18 12 0.0000 4 165 540 8925 2565 $pri3l\001 4 0 -1 0 0 18 12 0.0000 4 165 540 8925 2115 $pri2l\001 4 0 -1 0 0 18 12 0.0000 4 165 540 8925 1665 $pri1l\001 4 0 -1 0 0 18 12 0.0000 4 165 540 9450 2565 $pri3n\001 4 0 -1 0 0 18 12 0.0000 4 165 540 9450 2115 $pri2n\001 4 0 -1 0 0 18 12 0.0000 4 165 540 9450 1665 $pri1n\001 4 0 -1 0 0 18 12 0.0000 4 165 540 9975 2565 $pri3d\001 4 0 -1 0 0 18 12 0.0000 4 165 540 9975 2115 $pri2d\001 4 0 -1 0 0 18 12 0.0000 4 165 540 9975 1665 $pri1d\001 4 0 -1 0 0 18 12 0.0000 4 165 540 10350 2565 $pri3s\001 4 0 -1 0 0 18 12 0.0000 4 165 540 10350 2115 $pri2s\001 4 0 -1 0 0 18 12 0.0000 4 165 540 10350 1665 $pri1s\001 4 0 -1 0 0 18 12 0.0000 4 135 540 8175 2340 Primer\001 4 0 -1 0 0 18 12 0.0000 4 135 540 8175 1890 Primer\001 4 0 -1 0 0 18 12 0.0000 4 135 540 8175 1440 Primer\001 4 0 -1 0 0 18 12 0.0000 4 180 720 8175 2490 (global)\001 4 0 -1 0 0 18 12 0.0000 4 165 630 8175 1590 (local)\001 4 0 -1 0 0 18 12 0.0000 4 180 720 8175 2040 (region)\001 -6 6 10845 1305 13770 2610 6 10845 1530 13770 2610 4 0 -1 0 0 18 12 0.0000 4 165 810 10875 1890 Signature\001 4 0 -1 0 0 18 12 0.0000 4 165 810 10875 2340 Signature\001 4 0 -1 0 0 18 12 0.0000 4 165 540 11775 1665 $sig1l\001 4 0 -1 0 0 18 12 0.0000 4 165 540 11775 2115 $sig2l\001 4 0 -1 0 0 18 12 0.0000 4 165 540 11775 2565 $sig3l\001 4 0 -1 0 0 18 12 0.0000 4 165 540 12300 1665 $sig1n\001 4 0 -1 0 0 18 12 0.0000 4 165 540 12300 2115 $sig2n\001 4 0 -1 0 0 18 12 0.0000 4 165 540 12300 2565 $sig3n\001 4 0 -1 0 0 18 12 0.0000 4 165 540 12825 1665 $sig1d\001 4 0 -1 0 0 18 12 0.0000 4 165 540 12825 2115 $sig2d\001 4 0 -1 0 0 18 12 0.0000 4 165 540 12825 2565 $sig3d\001 4 0 -1 0 0 18 12 0.0000 4 165 540 13200 1665 $sig1s\001 4 0 -1 0 0 18 12 0.0000 4 165 540 13200 2115 $sig2s\001 4 0 -1 0 0 18 12 0.0000 4 165 540 13200 2565 $sig3s\001 -6 4 0 -1 0 0 18 12 0.0000 4 165 810 10875 1440 Signature\001 -6 6 135 1530 660 2355 4 0 -1 0 0 18 12 0.0000 4 135 360 135 2055 $num\001 4 0 -1 0 0 18 12 0.0000 4 165 360 135 2355 $key\001 4 0 -1 0 0 18 12 0.0000 4 135 450 135 1755 $cons\001 -6 6 6075 810 7020 990 4 0 -1 0 0 18 12 0.0000 4 135 450 6075 945 $undo\001 4 0 -1 0 0 18 12 0.0000 4 135 450 6525 945 $redo\001 -6 6 1260 495 5940 675 4 0 -1 0 0 18 12 0.0000 4 165 630 1260 630 $posTxt\001 4 0 -1 0 0 18 12 0.0000 4 135 810 2340 630 $ecoliTxt\001 4 0 -1 0 0 18 12 0.0000 4 135 720 3285 630 $baseTxt\001 4 0 -1 0 0 18 12 0.0000 4 165 810 4230 630 $iupacTxt\001 4 0 -1 0 0 18 12 0.0000 4 135 990 4950 630 $helixnrTxt\001 -6 6 10395 360 12465 990 6 10395 360 11115 990 4 0 -1 0 0 18 12 0.0000 4 135 720 10395 495 $secedit\001 4 0 -1 0 0 18 12 0.0000 4 135 540 10395 990 $rna3d\001 -6 6 11205 405 12465 945 4 0 -1 0 0 18 12 0.0000 4 135 900 11595 540 $errortext\001 4 0 -1 0 0 18 12 0.0000 4 135 540 11205 900 $clear\001 4 0 -1 0 0 18 12 0.0000 4 135 450 11205 540 $zoom\001 -6 -6 6 8325 855 9405 1035 4 0 -1 0 0 18 12 0.0000 4 165 450 8325 990 $pico\001 4 0 -1 0 0 18 12 0.0000 4 165 720 8685 990 $protect\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 15900 2700 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 15900 2700 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 15975 2700 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 3 0 1170 10440 1170 13365 1170 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 8055 1260 8055 2612 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1530 1260 1530 2610 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 10800 1260 10800 2610 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 13365 1170 15975 1170 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 13770 1305 13770 2565 2 1 0 4 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1523 1935 1350 1935 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 90 225 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1125 270 1125 1080 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 5850 270 5850 1080 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 7200 270 7200 1080 4 2 -1 0 0 18 12 0.0000 4 150 1350 15900 975 $to:X:errortext\001 4 0 -1 0 0 18 12 0.0000 4 165 630 10890 1575 (local)\001 4 0 -1 0 0 18 12 0.0000 4 180 720 10890 2025 (region)\001 4 0 -1 0 0 18 12 0.0000 4 180 720 10890 2475 (global)\001 4 0 -1 0 0 18 12 0.0000 4 135 540 765 1845 $anext\001 4 0 -1 0 0 18 12 0.0000 4 135 540 765 2295 $alast\001 4 0 -1 0 0 18 12 0.0000 4 135 810 2250 1620 $u1search\001 4 0 -1 0 0 18 12 0.0000 4 135 810 2250 2070 $u2search\001 4 0 -1 0 0 18 12 0.0000 4 165 900 2250 2520 $prosearch\001 4 0 -1 0 0 18 12 0.0000 4 135 360 6150 2070 $u2l\001 4 0 -1 0 0 18 12 0.0000 4 165 450 6150 2520 $prol\001 4 0 -1 0 0 18 12 0.0000 4 135 360 6150 1620 $u1l\001 4 0 -1 0 0 18 12 0.0000 4 135 360 6675 2070 $u2n\001 4 0 -1 0 0 18 12 0.0000 4 165 450 6675 2520 $pron\001 4 0 -1 0 0 18 12 0.0000 4 135 360 6675 1620 $u1n\001 4 0 -1 0 0 18 12 0.0000 4 135 360 7200 2070 $u2d\001 4 0 -1 0 0 18 12 0.0000 4 165 450 7200 2520 $prod\001 4 0 -1 0 0 18 12 0.0000 4 135 360 7200 1620 $u1d\001 4 0 -1 0 0 18 12 0.0000 4 135 360 7575 2070 $u2s\001 4 0 -1 0 0 18 12 0.0000 4 165 450 7575 2520 $pros\001 4 0 -1 0 0 18 12 0.0000 4 135 360 7575 1620 $u1s\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1725 1995 User2\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1725 2445 Probe\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1725 1545 User1\001 4 0 -1 0 0 18 12 0.0000 4 165 450 585 495 $help\001 4 0 -1 0 0 18 12 0.0000 4 165 450 90 495 $quit\001 4 0 -1 0 0 18 12 0.0000 4 165 450 5940 495 $jump\001 4 0 -1 0 0 18 12 0.0000 4 165 360 6525 495 $get\001 4 0 -1 0 0 18 12 0.0000 4 165 360 1215 945 $pos\001 4 0 -1 0 0 18 12 0.0000 4 135 540 2295 945 $ecoli\001 4 0 -1 0 0 18 12 0.0000 4 135 450 3240 945 $base\001 4 0 -1 0 0 18 12 0.0000 4 165 540 4185 945 $iupac\001 4 0 -1 0 0 18 12 0.0000 4 135 720 4905 945 $helixnr\001 4 0 -1 0 0 18 12 0.0000 4 135 630 7290 990 $saiviz\001 4 0 -1 0 0 18 12 0.0000 4 165 720 7290 495 $aligner\001 4 1 -1 0 0 18 12 0.0000 4 135 450 540 1035 $fold\001 4 0 -1 0 0 18 12 0.0000 4 135 630 9360 495 $insert\001 4 0 -1 0 0 18 12 0.0000 4 135 630 9360 990 $direct\001 4 0 -1 0 0 18 12 0.0000 4 135 450 8325 495 $edit\001 ./arbsrc_9167/lib/pictures/edit4/message.fig0000644012664100000130000000051611213220012020651 0ustar arb_buildcoders#FIG 2.1 80 2 6 59 39 214 54 4 0 18 12 0 -1 0 0.00000 4 15 31 59 54 $hide 4 0 18 12 0 -1 0 0.00000 4 15 36 174 54 $clear -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 599 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 19 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 60 59 94 $errortext 4 0 18 12 0 -1 0 0.00000 4 15 96 574 469 $to:XY:errortext ./arbsrc_9167/lib/pictures/edit4/missbase.fig0000644012664100000130000000151411213220012021032 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3285 4725 6075 5220 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 6075 5220 4 1 -1 0 0 18 12 0.0000 4 225 390 3510 4905 $go\001 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1590 1425 5535 1425 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1260 675 4 0 -1 0 0 18 13 0.0000 4 210 675 1350 900 $close\001 4 2 -1 0 0 18 13 0.0000 4 225 570 5850 900 $help\001 4 0 -1 0 0 18 13 0.0000 4 210 885 1350 2025 $marked\001 4 0 -1 0 0 18 12 0.0000 4 225 1185 1350 3555 $SAI_chars\001 4 1 -1 0 0 18 12 0.0000 4 210 480 3510 2970 $SAI\001 4 0 -1 0 0 18 12 0.0000 4 210 3360 1350 2520 Change only columns where SAI\001 4 1 -1 0 0 18 12 0.0000 4 210 4080 3600 1350 Insert dots at potentially missing bases\001 4 0 -1 0 0 18 12 0.0000 4 225 1065 1350 4185 $cons_def\001 ./arbsrc_9167/lib/pictures/edit4/nds.fig0000644012664100000130000000102011213220012020000 0ustar arb_buildcoders#FIG 2.1 80 2 6 59 219 144 264 4 0 18 12 0 -1 0 0.00000 4 15 35 59 234 $head 4 0 18 12 0 -1 0 0.00000 4 15 33 109 264 $data 4 0 18 12 0 -1 0 0.00000 4 15 43 59 264 $toggle -6 2 1 0 1 -1 0 0 0 0.000 7 0 0 44 59 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 499 279 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 59 94 $close 4 0 18 12 0 -1 0 0.00000 4 15 59 109 134 $brackets 4 0 18 12 0 -1 0 0.00000 4 15 31 499 94 $help 4 0 18 12 0 -1 0 0.00000 4 15 62 109 164 $infowidth 4 0 18 12 0 -1 0 0.00000 4 15 73 109 194 $ecoli_name ./arbsrc_9167/lib/pictures/edit4/options.fig0000644012664100000130000000430311213220012020716 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 4950 2925 7785 3195 4 0 -1 0 0 18 12 0.0000 4 165 720 4950 3150 $percent\001 4 0 -1 0 0 18 12 0.0000 4 135 1170 6525 3075 % Nucleotides\001 -6 6 1350 3690 6030 4680 4 0 -1 0 0 18 12 0.0000 4 165 720 5100 4620 $seq_seq\001 4 0 -1 0 0 18 12 0.0000 4 165 900 5100 4170 $seq_helix\001 4 0 -1 0 0 18 12 0.0000 4 165 2250 1800 4635 Sequence-sequence spacing\001 4 0 -1 0 0 18 12 0.0000 4 165 1980 1800 4185 Sequence-helix spacing\001 4 0 -1 0 0 18 12 0.0000 4 165 630 1350 3825 Layout:\001 -6 6 1350 5085 5940 6525 4 0 -1 0 0 18 12 0.0000 4 150 810 5100 5550 $scroll_x\001 4 0 -1 0 0 18 12 0.0000 4 165 810 5100 6000 $scroll_y\001 4 0 -1 0 0 18 12 0.0000 4 165 1440 1800 5565 Horizontal speed\001 4 0 -1 0 0 18 12 0.0000 4 165 1260 1800 6015 Vertical speed\001 4 0 -1 0 0 18 12 0.0000 4 165 630 5100 6480 $margin\001 4 0 -1 0 0 18 12 0.0000 4 165 990 1800 6480 Auto margin\001 4 0 -1 0 0 18 12 0.0000 4 165 900 1350 5220 Scrolling:\001 -6 6 1350 6885 4410 8550 4 0 -1 0 0 18 12 0.0000 4 165 630 1800 8160 $repeat\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1800 7785 $fast\001 4 0 -1 0 0 18 12 0.0000 4 135 810 1800 8550 $checksum\001 4 0 -1 0 0 18 12 0.0000 4 165 1350 1800 7335 Gap characters:\001 4 0 -1 0 0 18 12 0.0000 4 165 810 3600 7335 $gapchars\001 4 0 -1 0 0 18 12 0.0000 4 165 720 1350 7020 Editing:\001 -6 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3975 3300 3975 2025 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3975 2025 4200 2025 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3975 3300 4200 3300 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3675 3150 3975 3150 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1350 3555 8415 3555 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1350 4950 8415 4950 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1350 6750 8415 6750 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1260 945 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 8550 8685 4 0 -1 0 0 18 12 0.0000 4 180 5850 1350 1725 Online Sequence Compression ( Don't Show Columns With Only Gaps )\001 4 0 -1 0 0 18 12 0.0000 4 165 450 1500 2325 $gaps\001 4 0 -1 0 0 18 12 0.0000 4 135 450 4125 2325 $hide\001 4 2 -1 0 0 18 12 0.0000 4 165 450 8505 1200 $help\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1350 1200 $close\001 ./arbsrc_9167/lib/pictures/edit4/replace.fig0000644012664100000130000000107311213220012020637 0ustar arb_buildcoders#FIG 2.1 80 2 6 99 119 299 134 4 0 18 12 0 -1 0 0.00000 4 15 58 99 134 Search ... 4 0 18 12 0 -1 0 0.00000 4 15 57 239 134 $spattern -6 6 99 179 294 194 4 0 18 12 0 -1 0 0.00000 4 15 119 99 194 ... and replace by ... 4 0 18 12 0 -1 0 0.00000 4 15 55 239 194 $rpattern -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 579 239 579 59 79 59 79 239 579 239 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 21 99 94 $go 4 0 18 12 0 -1 0 0.00000 4 15 38 239 94 $close 4 0 18 12 0 -1 0 0.00000 4 15 31 459 94 $help 4 0 0 12 0 -1 0 0.00000 4 15 182 239 154 (Use '?' as joker for any character!) ./arbsrc_9167/lib/pictures/edit4/save_config.fig0000644012664100000130000000120311213220012021502 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 319 339 9999 9999 4 2 18 12 0 -1 0 0.00000 4 15 31 309 69 $help 4 0 18 12 0 -1 0 0.00000 4 15 38 89 69 $close 4 0 18 12 0 -1 0 0.00000 4 15 35 89 129 $save 4 2 18 12 0 -1 0 0.00000 4 15 50 309 134 $to:save 4 0 18 12 0 -1 0 0.00000 4 15 133 89 164 Existing Configurations 4 0 18 12 0 -1 0 0.00000 4 15 39 89 194 $confs 4 1 18 12 0 -1 0 0.00000 4 15 163 199 94 Save Editor Configuration as 4 2 18 12 0 -1 0 0.00000 4 15 74 309 294 $to:XY:confs 4 0 18 12 0 -1 0 0.00000 4 15 33 159 329 $Y:go 4 2 18 12 0 -1 0 0.00000 4 15 48 244 329 $to:Y:go ./arbsrc_9167/lib/pictures/edit4/save_search.fig0000644012664100000130000000224211213220012021506 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1800 450 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7245 6480 4 0 -1 0 0 18 13 0.0000 4 135 540 1950 900 $close\001 4 2 -1 0 0 18 13 0.0000 4 150 810 3375 900 $to:close\001 4 0 -1 0 0 18 13 0.0000 4 135 360 1950 1725 $box\001 4 0 -1 0 0 18 12 0.0000 4 165 2610 1950 1275 Directories (D) and Files (f)\001 4 2 -1 0 0 18 13 0.0000 4 150 900 7050 4725 $to:XY:box\001 4 0 -1 0 0 18 13 0.0000 4 150 810 6000 1275 $X:filter\001 4 2 -1 0 0 18 13 0.0000 4 165 900 7050 825 $to:X:help\001 4 0 -1 0 0 18 13 0.0000 4 165 630 6000 825 $X:help\001 4 0 -1 0 0 18 12 0.0000 4 150 720 5250 1200 X:Suffix\001 4 0 -1 0 0 18 13 0.0000 4 150 630 1950 6300 $Y:save\001 4 2 -1 0 0 18 13 0.0000 4 150 900 3375 6300 $to:Y:save\001 4 0 -1 0 0 18 13 0.0000 4 150 900 5475 6300 $XY:cancel\001 4 2 -1 0 0 18 13 0.0000 4 150 1170 7050 6300 $to:XY:cancel\001 4 0 -1 0 0 18 12 0.0000 4 150 990 1950 5100 Y:File Name\001 4 2 -1 0 0 18 13 0.0000 4 150 1080 7050 1395 $to:X:filter\001 4 2 -1 0 0 18 13 0.0000 4 150 1440 7050 5625 $to:XY:file_name\001 4 0 -1 0 0 18 13 0.0000 4 150 1080 1950 5490 $Y:file_name\001 ./arbsrc_9167/lib/pictures/edit4/search.fig0000644012664100000130000000606411440743000020507 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1500 1650 3000 2250 4 0 -1 0 0 18 12 0.0000 4 135 1350 1500 1875 Search Patterns\001 4 0 -1 0 0 18 12 0.0000 4 165 720 1500 2250 $pattern\001 -6 6 5700 5550 7875 6600 6 5925 6000 7875 6600 6 5925 6000 7800 6225 4 0 -1 0 0 18 12 0.0000 4 135 630 7050 6225 $minmis\001 4 0 -1 0 0 18 12 0.0000 4 135 630 5925 6225 Minimum\001 -6 6 5925 6375 7875 6600 4 0 -1 0 0 18 12 0.0000 4 135 630 5925 6600 Maximum\001 4 0 -1 0 0 18 12 0.0000 4 135 630 7050 6600 $maxmis\001 -6 -6 4 0 -1 0 0 18 12 0.0000 4 150 1710 5700 5775 Allowed mismatches:\001 -6 6 5625 6750 10875 7650 6 5700 6975 9075 7650 4 0 -1 0 0 0 10 0.0000 4 165 3060 5700 7200 Use '?' as single letter wildcard \001 4 0 -1 0 0 0 10 0.0000 4 165 4950 5700 7425 Use ',' or newline as separator between search patterns\001 4 0 -1 0 0 0 10 0.0000 4 165 3960 5700 7650 '#' initiates a comment for a search pattern\001 -6 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5700 6825 10800 6825 -6 6 9450 4575 9825 5325 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 9525 4605 9675 4605 9675 5280 9525 5280 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 9675 4950 9750 4950 -6 6 1800 1200 3825 1425 4 0 -1 0 0 18 12 0.0000 4 135 540 1800 1425 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 450 3300 1425 $help\001 -6 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5700 2925 10800 2925 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5700 1875 10800 1875 2 1 0 3 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5700 5400 10800 5400 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 11100 7800 11100 900 1200 900 1200 7800 11100 7800 4 0 -1 0 0 18 12 0.0000 4 165 900 8100 2325 Auto jump?\001 4 0 -1 0 0 18 12 0.0000 4 165 450 9375 2400 $jump\001 4 0 -1 0 0 18 12 0.0000 4 135 450 5700 2325 Show?\001 4 0 -1 0 0 18 12 0.0000 4 135 450 7200 2400 $show\001 4 0 -1 0 0 18 12 0.0000 4 165 1080 5700 2700 Open folded?\001 4 0 -1 0 0 18 12 0.0000 4 165 450 7200 2775 $open\001 4 0 -1 0 0 18 12 0.0000 4 165 2160 5700 3300 Ignore gaps in sequence?\001 4 0 -1 0 0 18 12 0.0000 4 165 2070 5700 3675 Ignore gaps in pattern?\001 4 0 -1 0 0 18 12 0.0000 4 135 2070 5700 4050 Treat T and U as match?\001 4 0 -1 0 0 18 12 0.0000 4 165 1080 5700 4425 Ignore case?\001 4 0 -1 0 0 18 12 0.0000 4 135 1710 5700 5175 Search for reverse?\001 4 0 -1 0 0 18 12 0.0000 4 165 1980 5700 4800 Search for complement?\001 4 0 -1 0 0 18 12 0.0000 4 165 810 9000 3375 $seq_gaps\001 4 0 -1 0 0 18 12 0.0000 4 165 810 9000 3750 $pat_gaps\001 4 0 -1 0 0 18 12 0.0000 4 135 270 9000 4125 $tu\001 4 0 -1 0 0 18 12 0.0000 4 135 450 9000 4500 $case\001 4 0 -1 0 0 18 12 0.0000 4 165 990 9000 4875 $complement\001 4 0 -1 0 0 18 12 0.0000 4 135 720 9000 5250 $reverse\001 4 0 -1 0 0 18 12 0.0000 4 135 540 9825 5025 Exact!\001 4 0 -1 0 0 18 12 0.0000 4 135 540 10500 5100 $exact\001 4 0 -1 0 0 18 12 0.0000 4 135 450 7200 1425 $save\001 4 0 -1 0 0 18 12 0.0000 4 165 630 5760 1395 $config\001 4 0 -1 0 0 18 12 0.0000 4 135 450 8775 1425 $load\001 4 0 -1 0 0 18 12 0.0000 4 165 810 1800 7650 $previous\001 4 0 -1 0 0 18 12 0.0000 4 135 450 3300 7650 $next\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1800 7200 $mark\001 ./arbsrc_9167/lib/pictures/ed_key.fig0000644012664100000130000000077511213220012017463 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 54 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 284 239 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 119 89 $close 4 0 18 12 0 -1 0 0.00000 4 15 32 159 199 $data 4 0 18 12 0 -1 0 0.00000 4 15 81 119 159 Map keyboard 4 0 18 12 0 -1 0 0.00000 4 15 11 209 159 to 4 0 18 12 0 -1 0 0.00000 4 15 32 229 159 ASCII 4 0 18 12 0 -1 0 0.00000 4 15 90 119 124 Enable Mapping 4 2 18 12 0 -1 0 0.00000 4 15 45 269 129 $enable 4 2 0 12 0 -1 0 0.00000 4 16 26 269 89 $help ./arbsrc_9167/lib/pictures/ed_repla.fig0000644012664100000130000000334311440743000020001 0ustar arb_buildcoders#FIG 2.1 80 2 6 324 304 474 419 4 2 18 12 0 -1 0 0.00000 4 15 84 474 319 $start_replace 4 2 18 13 0 -1 0 0.00000 4 15 146 474 344 $replace_and_find_next 4 2 18 12 0 -1 0 0.00000 4 15 138 474 369 $find_and_replace_next 4 2 18 12 0 -1 0 0.00000 4 15 143 474 394 $replace_rest_sequence 4 2 18 12 0 -1 0 0.00000 4 15 120 474 419 $replace_rest_editor -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 219 479 69 59 69 59 219 479 219 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 484 224 484 64 54 64 54 224 484 224 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 494 429 494 19 39 19 39 429 494 429 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 54 289 484 289 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 69 69 244 Matchcase: 4 0 18 12 0 -1 0 0.00000 4 15 34 64 319 $start 4 0 18 12 0 -1 0 0.00000 4 15 54 64 344 $start_all 4 0 18 12 0 -1 0 0.00000 4 15 60 64 369 $start_rev 4 0 18 12 0 -1 0 0.00000 4 15 103 79 404 bzzzzzzzzzzzzz ..... 4 0 18 13 0 -1 0 0.00000 4 15 115 74 89 SEARCH-STRING: 4 0 18 13 0 -1 0 0.00000 4 17 119 74 179 REPLACE-STRING 4 1 18 13 0 -1 0 0.00000 4 15 67 204 279 $t_equal_u 4 1 18 13 0 -1 0 0.00000 4 15 45 204 244 T = U ? 4 2 18 13 0 -1 0 0.00000 4 15 181 469 244 Consider Gaps ?  4 2 18 13 0 -1 0 0.00000 4 15 37 469 279 $gaps 4 0 18 13 0 -1 0 0.00000 4 15 106 54 279 $upper_eq_lower 4 1 18 14 0 -1 0 0.00000 4 19 54 269 119 $search 4 1 18 13 0 -1 0 0.00000 4 17 52 269 209 $replace 4 2 18 13 0 -1 0 0.00000 4 15 186 459 89 ( `?` = single-letter wildcard ) 4 2 18 13 0 -1 0 0.00000 4 15 62 459 154 $mistakes 4 2 18 13 0 -1 0 0.00000 4 15 122 434 149 Mismatches found : 4 0 18 13 0 -1 0 0.00000 4 15 82 224 154 $mismatches 4 0 18 13 0 -1 0 0.00000 4 15 148 74 149 Maximum mismatches: 4 0 18 14 0 -1 0 0.00000 4 19 45 59 54 $close ./arbsrc_9167/lib/pictures/ed_searc.fig0000644012664100000130000000261411440743000017773 0ustar arb_buildcoders#FIG 2.1 80 2 6 54 174 484 314 2 1 0 1 -1 0 0 0 0.000 -1 0 0 54 234 484 234 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 69 69 189 Matchcase: 4 0 18 12 0 -1 0 0.00000 4 15 34 64 264 $start 4 0 18 12 0 -1 0 0.00000 4 15 54 64 289 $start_all 4 0 18 12 0 -1 0 0.00000 4 15 60 64 314 $start_rev 4 1 18 13 0 -1 0 0.00000 4 15 67 204 224 $t_equal_u 4 1 18 13 0 -1 0 0.00000 4 15 45 204 189 T = U ? 4 2 18 13 0 -1 0 0.00000 4 15 181 469 189 Consider Gaps ?  4 2 18 13 0 -1 0 0.00000 4 15 37 469 224 $gaps 4 0 18 13 0 -1 0 0.00000 4 15 106 54 224 $upper_eq_lower -6 6 269 259 449 294 4 1 18 13 0 -1 0 0.00000 4 15 178 359 294 PVERI PVERILIA TRACTANT 4 1 18 13 0 -1 0 0.00000 4 15 123 359 274 SVNT PVERI PVERI -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 164 479 69 59 69 59 164 479 164 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 484 169 484 64 54 64 54 169 484 169 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 494 324 494 19 39 19 39 324 494 324 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 115 74 89 SEARCH-STRING: 4 0 18 13 0 -1 0 0.00000 4 15 139 74 149 Maximum mismatches: 4 1 18 14 0 -1 0 0.00000 4 19 54 269 119 $search 4 2 18 13 0 -1 0 0.00000 4 15 186 459 89 ( `?` = single-letter wildcard ) 4 2 18 13 0 -1 0 0.00000 4 15 62 459 154 $mistakes 4 2 18 13 0 -1 0 0.00000 4 15 122 434 149 Mismatches found : 4 0 18 13 0 -1 0 0.00000 4 15 82 224 154 $mismatches 4 0 18 14 0 -1 0 0.00000 4 19 45 59 54 $close ./arbsrc_9167/lib/pictures/etc/checkgcg.fig0000644012664100000130000000570011440743000020536 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 199 64 89 64 89 309 429 309 429 64 319 64 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 284 329 429 329 429 404 89 404 89 329 229 329 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 334 424 429 424 429 469 89 469 89 424 184 424 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 279 489 429 489 429 594 89 594 89 489 239 489 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 439 669 439 19 79 19 79 669 439 669 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 28 99 99 $box 4 0 18 12 0 -1 0 0.00000 4 15 63 99 299 $file_name 4 2 18 12 0 -1 0 0.00000 4 15 43 419 259 $to:box 4 2 18 12 0 -1 0 0.00000 4 15 78 419 299 $to:file_name 4 1 18 12 0 -1 0 0.00000 4 15 46 259 334 Exclude 4 1 18 12 0 -1 0 0.00000 4 15 104 259 69 Select an input file 4 0 18 12 0 -1 0 0.00000 4 15 28 99 364 $ex1 4 2 18 12 0 -1 0 0.00000 4 15 43 254 364 $to:ex2 4 0 18 12 0 -1 0 0.00000 4 15 28 264 364 $ex3 4 2 18 12 0 -1 0 0.00000 4 15 43 419 364 $to:ex4 4 2 18 12 0 -1 0 0.00000 4 15 43 174 364 $to:ex1 4 0 18 12 0 -1 0 0.00000 4 15 28 344 364 $ex4 4 0 18 12 0 -1 0 0.00000 4 15 28 99 394 $ex5 4 0 18 12 0 -1 0 0.00000 4 15 28 264 394 $ex7 4 0 18 12 0 -1 0 0.00000 4 15 28 344 394 $ex8 4 2 18 12 0 -1 0 0.00000 4 15 43 254 394 $to:ex6 4 2 18 12 0 -1 0 0.00000 4 15 43 419 394 $to:ex8 4 2 18 12 0 -1 0 0.00000 4 15 43 174 394 $to:ex5 4 0 18 12 0 -1 0 0.00000 4 15 28 179 364 $ex2 4 0 18 12 0 -1 0 0.00000 4 15 28 179 394 $ex6 4 2 18 12 0 -1 0 0.00000 4 15 43 339 394 $to:ex7 4 2 18 12 0 -1 0 0.00000 4 15 43 339 364 $to:ex3 4 1 18 12 0 -1 0 0.00000 4 15 139 259 429 Include (of the excluded) 4 0 18 12 0 -1 0 0.00000 4 15 24 99 459 $in1 4 0 18 12 0 -1 0 0.00000 4 15 24 179 459 $in2 4 0 18 12 0 -1 0 0.00000 4 15 24 264 459 $in3 4 0 18 12 0 -1 0 0.00000 4 15 24 344 459 $in4 4 2 18 12 0 -1 0 0.00000 4 15 39 174 459 $to:in1 4 2 18 12 0 -1 0 0.00000 4 15 39 254 459 $to:in2 4 2 18 12 0 -1 0 0.00000 4 15 39 339 459 $to:in3 4 2 18 12 0 -1 0 0.00000 4 15 39 419 459 $to:in4 4 1 18 12 0 -1 0 0.00000 4 15 24 259 494 ETC 4 0 18 12 0 -1 0 0.00000 4 15 50 264 524 $textedit 4 0 18 12 0 -1 0 0.00000 4 15 36 264 554 $fetch 4 2 18 12 0 -1 0 0.00000 4 15 51 419 554 $to:fetch 4 2 18 12 0 -1 0 0.00000 4 15 65 419 524 $to:textedit 4 2 18 12 0 -1 0 0.00000 4 15 43 419 584 $to:min 4 0 18 12 0 -1 0 0.00000 4 15 28 264 584 $min 4 0 18 12 0 -1 0 0.00000 4 15 112 99 519 Show results using: 4 0 18 12 0 -1 0 0.00000 4 15 149 99 579 Minimum sequence length 4 0 18 12 0 -1 0 0.00000 4 15 28 89 624 $go0 4 0 18 12 0 -1 0 0.00000 4 15 28 209 624 $go1 4 0 18 12 0 -1 0 0.00000 4 15 28 314 624 $go2 4 2 18 12 0 -1 0 0.00000 4 15 43 204 664 $to:go0 4 2 18 12 0 -1 0 0.00000 4 15 43 309 664 $to:go1 4 2 18 12 0 -1 0 0.00000 4 15 43 429 664 $to:go2 4 0 18 12 0 -1 0 0.00000 4 15 68 99 269 FILE NAME: 4 0 18 12 0 -1 0 0.00000 4 15 98 99 549 Prepend S.name: 4 2 18 12 0 -1 0 0.00000 4 15 31 424 49 $help 4 0 18 12 0 -1 0 0.00000 4 15 38 89 49 $close 4 2 18 12 0 -1 0 0.00000 4 15 53 229 49 $to:close ./arbsrc_9167/lib/pictures/fontgfx_request.fig0000644012664100000130000000212711440743000021450 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 469 429 469 189 129 189 129 429 469 429 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 479 499 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 129 174 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 464 424 $to:box 4 2 18 13 0 -1 0 0.00000 4 15 56 224 174 $to:close 4 0 18 13 0 -1 0 0.00000 4 17 47 354 169 SUFFIX 4 0 18 13 0 -1 0 0.00000 4 15 67 134 484 $file_name 4 2 18 13 0 -1 0 0.00000 4 15 83 464 484 $to:file_name 4 0 18 13 0 -1 0 0.00000 4 15 71 139 454 FILENAME: 4 0 18 13 0 -1 0 0.00000 4 17 30 134 214 $box 4 2 18 12 0 -1 0 0.00000 4 15 48 464 519 $to:user 4 0 18 12 0 -1 0 0.00000 4 15 33 134 519 $user 4 2 18 12 0 -1 0 0.00000 4 15 40 299 519 $user1 4 0 18 12 0 -1 0 0.00000 4 15 40 134 549 $user2 4 2 18 12 0 -1 0 0.00000 4 15 55 299 549 $to:user2 4 2 18 12 0 -1 0 0.00000 4 15 70 464 549 $to:to:user2 4 0 18 13 0 -1 0 0.00000 4 15 35 404 174 $filter 4 2 18 13 0 -1 0 0.00000 4 15 51 469 174 $to:filter 4 0 18 13 0 -1 0 0.00000 4 15 37 244 174 $reset 4 2 18 13 0 -1 0 0.00000 4 15 53 335 174 $to:reset ./arbsrc_9167/lib/pictures/fontgfx.vfont0000644012664100000130000006606311440743000020300 0ustar arb_buildcoders#FIG 2.1 80 2 6 119 2199 279 2519 2 2 0 1 -1 0 0 0 0.000 0 0 0 279 2519 279 2199 119 2199 119 2519 279 2519 9999 9999 -6 6 119 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1 0 2 -1 0 0 0 0.000 -1 0 0 999 3839 1039 3879 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 1219 3839 1099 3999 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 1099 3839 1119 3839 1119 3859 1099 3859 1099 3839 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 1199 3979 1219 3979 1219 3999 1199 3999 1199 3979 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 139 4379 259 4379 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 359 4319 359 4159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 419 4199 399 4179 319 4179 299 4199 299 4219 419 4259 419 4279 399 4299 319 4299 299 4279 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 579 4319 559 4319 479 4199 479 4179 499 4159 539 4159 559 4179 559 4199 459 4259 459 4299 479 4319 539 4319 579 4279 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 619 4319 739 4159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 779 4159 899 4319 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 999 4159 999 4319 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 1179 4299 1139 4379 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 179 4459 179 4499 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 219 4459 219 4499 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 339 4699 379 4619 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 379 4599 379 4579 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 519 4539 519 4559 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 519 4619 519 4639 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 699 4479 679 4499 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 819 4479 839 4499 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 1019 4479 979 4479 979 4639 1019 4639 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 1139 4479 1179 4479 1179 4639 1139 4639 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 399 4799 379 4799 359 4819 359 4859 339 4879 359 4899 359 4939 379 4959 399 4959 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 479 4799 499 4799 519 4819 519 4859 539 4879 519 4899 519 4939 499 4959 479 4959 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 619 4879 639 4859 719 4899 739 4879 9999 9999 4 0 0 12 0 -1 0 0.00000 4 16 104 84 117 1) fontsize definition:  4 0 0 12 0 -1 0 0.00000 4 16 418 84 136 - place one horizontal line above any other lines: width of a chararcter cell (gridx size) 4 0 0 12 0 -1 0 0.00000 4 16 418 84 155 - place one vertical line left of any other lines: height of a character cell (gridy size) 4 0 0 12 0 -1 0 0.00000 4 16 201 84 174 [ these lines are skipped from now on!]  4 0 0 12 0 -1 0 0.00000 4 16 94 84 213 2) where's my font: 4 0 0 12 0 -1 0 0.00000 4 16 434 84 251 of the font grid. the grid is assumed to be an infinite quarter plane that is processed upto 4 0 0 12 0 -1 0 0.00000 4 16 449 84 270 the rightmost and the lowest lines within the plane - please put the cells in a dense cluster!  4 0 0 12 0 -1 0 0.00000 4 16 465 84 232 - origin: the topmost (of these the leftmost) horizontal line, left point defines the upper left edge  4 0 0 12 0 -1 0 0.00000 4 16 491 84 289 - cellwalls: all horizontal/vertical lines that are x*gridx or gridy size removed from the origin, x in N0  4 0 0 12 0 -1 0 0.00000 4 16 108 84 327 valid drawing area. 4 0 0 12 0 -1 0 0.00000 4 16 468 84 308 are skipped. Make a rectangle of gridx*gridy and put them side by side to define the characters' 4 0 0 12 0 -1 0 0.00000 4 16 474 84 346 - character lines: any lines within such a cell (even if the cellwall is missing!) are used to draw this 4 0 0 12 0 -1 0 0.00000 4 16 90 84 365 cells character.  4 0 0 12 0 -1 0 0.00000 4 16 440 84 384 - character name: is defined by the first char of the (only!) string that begins within the cell. 4 0 0 12 0 -1 0 0.00000 4 16 247 84 403 - special characters that are always defined: blank. 4 0 0 12 0 -1 0 0.00000 4 16 99 84 441 plane are ignored 4 0 0 12 0 -1 0 0.00000 4 16 242 84 79 xfigfont.gfx - vectorfont definitionformat for ARB 4 0 0 12 0 -1 0 0.00000 4 16 469 84 422 - any lines in the plane without a string in the same cell are ignored. any strings / lines outside the 4 0 18 50 0 -1 0 0.00000 4 57 877 359 519 ABCDEFGHIJKLMNOPQRSTUVWXYZ 4 0 14 50 0 -1 0 0.00000 4 50 1560 4 569 ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz 4 0 0 12 0 -1 0 0.00000 4 9 9 159 919 A 4 0 0 12 0 -1 0 0.00000 4 9 8 319 919 B 4 0 0 12 0 -1 0 0.00000 4 9 8 479 919 C 4 0 0 12 0 -1 0 0.00000 4 9 9 639 919 D 4 0 0 12 0 -1 0 0.00000 4 9 8 799 919 E 4 0 0 12 0 -1 0 0.00000 4 9 8 959 919 F 4 0 0 12 0 -1 0 0.00000 4 9 9 1119 919 G 4 0 0 12 0 -1 0 0.00000 4 9 9 159 1239 H 4 0 0 12 0 -1 0 0.00000 4 9 4 319 1239 I 4 0 0 12 0 -1 0 0.00000 4 9 4 479 1239 J 4 0 0 12 0 -1 0 0.00000 4 9 8 639 1239 K 4 0 0 12 0 -1 0 0.00000 4 9 7 799 1239 L 4 0 0 12 0 -1 0 0.00000 4 9 11 959 1239 M 4 0 0 12 0 -1 0 0.00000 4 9 9 1119 1239 N 4 0 0 12 0 -1 0 0.00000 4 9 9 159 1559 O 4 0 0 12 0 -1 0 0.00000 4 9 7 319 1559 P 4 0 0 12 0 -1 0 0.00000 4 11 9 479 1559 Q 4 0 0 12 0 -1 0 0.00000 4 9 8 639 1559 R 4 0 0 12 0 -1 0 0.00000 4 9 7 799 1559 S 4 0 0 12 0 -1 0 0.00000 4 9 7 959 1559 T 4 0 0 12 0 -1 0 0.00000 4 9 8 1119 1559 U 4 0 0 12 0 -1 0 0.00000 4 9 9 159 1879 V 4 0 0 12 0 -1 0 0.00000 4 9 12 319 1879 W 4 0 0 12 0 -1 0 0.00000 4 9 8 479 1879 X 4 0 0 12 0 -1 0 0.00000 4 9 9 639 1879 Y 4 0 0 12 0 -1 0 0.00000 4 9 8 799 1879 Z 4 0 0 12 0 -1 0 0.00000 4 9 6 959 1879 0 4 0 0 12 0 -1 0 0.00000 4 9 6 159 2199 2 4 0 0 12 0 -1 0 0.00000 4 9 6 319 2199 3 4 0 0 12 0 -1 0 0.00000 4 9 6 479 2199 4 4 0 0 12 0 -1 0 0.00000 4 9 6 639 2199 5 4 0 0 12 0 -1 0 0.00000 4 9 6 799 2199 6 4 0 0 12 0 -1 0 0.00000 4 9 6 959 2199 7 4 0 0 12 0 -1 0 0.00000 4 9 6 1119 2199 8 4 0 0 12 0 -1 0 0.00000 4 9 6 159 2519 9 4 0 0 12 0 -1 0 0.00000 4 6 6 319 2519 a 4 0 0 12 0 -1 0 0.00000 4 9 6 479 2519 b 4 0 0 12 0 -1 0 0.00000 4 6 5 639 2519 c 4 0 0 12 0 -1 0 0.00000 4 9 6 799 2519 d 4 0 0 12 0 -1 0 0.00000 4 6 6 959 2519 e 4 0 0 12 0 -1 0 0.00000 4 9 3 1119 2519 f 4 0 0 12 0 -1 0 0.00000 4 9 6 159 2839 g 4 0 0 12 0 -1 0 0.00000 4 9 6 319 2839 h 4 0 0 12 0 -1 0 0.00000 4 9 3 479 2839 i 4 0 0 12 0 -1 0 0.00000 4 12 3 639 2839 j 4 0 0 12 0 -1 0 0.00000 4 9 6 799 2839 k 4 0 0 12 0 -1 0 0.00000 4 9 3 959 2839 l 4 0 0 12 0 -1 0 0.00000 4 6 9 1119 2839 m 4 0 0 12 0 -1 0 0.00000 4 6 6 159 3159 n 4 0 0 12 0 -1 0 0.00000 4 6 6 319 3159 o 4 0 0 12 0 -1 0 0.00000 4 9 6 479 3159 p 4 0 0 12 0 -1 0 0.00000 4 9 6 639 3159 q 4 0 0 12 0 -1 0 0.00000 4 6 4 799 3159 r 4 0 0 12 0 -1 0 0.00000 4 6 6 959 3159 s 4 0 0 12 0 -1 0 0.00000 4 7 4 1119 3159 t 4 0 0 12 0 -1 0 0.00000 4 6 6 159 3479 u 4 0 0 12 0 -1 0 0.00000 4 6 6 319 3479 v 4 0 0 12 0 -1 0 0.00000 4 6 9 479 3479 w 4 0 0 12 0 -1 0 0.00000 4 6 6 639 3479 x 4 0 0 12 0 -1 0 0.00000 4 9 6 799 3479 y 4 0 0 12 0 -1 0 0.00000 4 6 6 959 3479 z 4 0 0 12 0 -1 0 0.00000 4 1 8 1119 3479 - 4 0 0 12 0 -1 0 0.00000 4 1 3 159 3799 . 4 0 0 12 0 -1 0 0.00000 4 9 5 319 3799 ? 4 0 0 12 0 -1 0 0.00000 4 5 6 479 3799 * 4 0 0 12 0 -1 0 0.00000 4 5 7 639 3799 + 4 0 0 12 0 -1 0 0.00000 4 3 7 799 3799 = 4 0 0 12 0 -1 0 0.00000 4 5 8 959 3799 < 4 0 0 12 0 -1 0 0.00000 4 5 8 1119 3799 > 4 0 0 12 0 -1 0 0.00000 4 12 5 159 4119 ( 4 0 0 12 0 -1 0 0.00000 4 12 5 319 4119 ) 4 0 0 12 0 -1 0 0.00000 4 9 3 479 4119 ! 4 0 0 12 0 -1 0 0.00000 4 11 11 639 4119 @ 4 0 0 12 0 -1 0 0.00000 4 8 6 799 4119 # 4 0 0 12 0 -1 0 0.00000 4 5 6 959 4119 ^ 4 0 0 12 0 -1 0 0.00000 4 9 9 1119 4119 % 4 0 0 12 0 -1 0 0.00000 4 1 6 159 4439 _ 4 0 0 12 0 -1 0 0.00000 4 11 6 319 4439 $ 4 0 0 12 0 -1 0 0.00000 4 9 10 479 4439 & 4 0 0 12 0 -1 0 0.00000 4 9 3 639 4439 / 4 0 0 12 0 -1 0 0.00000 4 9 3 799 4439 \ 4 0 0 12 0 -1 0 0.00000 4 9 3 959 4439 | 4 0 0 12 0 -1 0 0.00000 4 3 3 1119 4439 , 4 0 0 12 0 -1 0 0.00000 4 16 6 1119 1879 1 4 0 0 12 0 -1 0 0.00000 4 16 5 174 4759 " 4 0 0 12 0 -1 0 0.00000 4 16 3 334 4759 ; 4 0 0 12 0 -1 0 0.00000 4 16 3 494 4749 : 4 0 0 12 0 -1 0 0.00000 4 16 4 669 4759 ' 4 0 0 12 0 -1 0 0.00000 4 16 4 824 4759 ` 4 0 0 12 0 -1 0 0.00000 4 16 6 349 5079 { 4 0 0 12 0 -1 0 0.00000 4 16 6 519 5079 } 4 0 0 12 0 -1 0 0.00000 4 16 6 679 5069 ~ 4 0 0 12 0 -1 0 0.00000 4 16 38 164 5079 \blank  ./arbsrc_9167/lib/pictures/gde2item.fig0000644012664100000130000000326611440743000017732 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 39 39 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 559 359 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 49 79 519 79 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 49 194 519 194 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 49 309 519 309 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 51 114 354 $params 4 0 18 13 0 -1 0 0.00000 4 15 47 49 69 $cancel 4 0 18 13 0 -1 0 0.00000 4 15 34 159 69 $start 4 0 18 13 0 -1 0 0.00000 4 15 34 279 69 $help 4 0 18 13 0 -1 0 0.00000 4 15 84 294 264 Compression 4 2 18 12 0 -1 0 0.00000 4 15 80 269 269 $to:filtername 4 0 18 13 0 -1 0 0.00000 4 15 37 79 264 Filter: 4 0 18 13 0 -1 0 0.00000 4 15 70 129 269 $filtername 4 0 18 12 0 -1 0 0.00000 4 15 94 49 224 COLUMNFILTER 4 0 18 12 0 -1 0 0.00000 4 15 77 49 339 PARAMETER 4 0 18 13 0 -1 0 0.00000 4 15 89 404 229 $compression 4 0 18 12 0 -1 0 0.00000 4 15 58 49 379 $paramsb 4 0 18 12 0 -1 0 0.00000 4 15 107 49 104 Select Sequences: 4 0 18 12 0 -1 0 0.00000 4 15 21 379 99 SAI 4 0 18 12 0 -1 0 0.00000 4 15 29 459 99 Helix 4 0 18 12 0 -1 0 0.00000 4 15 43 379 124 $topsai 4 0 18 12 0 -1 0 0.00000 4 15 62 379 154 $middlesai 4 0 18 12 0 -1 0 0.00000 4 15 66 379 184 $bottomsai 4 0 18 12 0 -1 0 0.00000 4 15 52 459 154 $middleh 4 0 18 12 0 -1 0 0.00000 4 15 56 459 184 $bottomh 4 0 18 12 0 -1 0 0.00000 4 15 33 459 124 $toph 4 0 18 12 0 -1 0 0.00000 4 15 25 299 124 $top 4 0 18 12 0 -1 0 0.00000 4 15 45 299 154 $middle 4 0 18 12 0 -1 0 0.00000 4 15 47 299 184 $bottom 4 0 18 12 0 -1 0 0.00000 4 15 58 279 99 Sequence 4 0 18 12 0 -1 0 0.00000 4 15 69 219 179 bottom area 4 0 18 12 0 -1 0 0.00000 4 15 67 219 149 middle area 4 0 18 12 0 -1 0 0.00000 4 15 47 219 119 top area ./arbsrc_9167/lib/pictures/gde3item.fig0000644012664100000130000000345611440743000017734 0ustar arb_buildcoders#FIG 2.1 80 2 6 49 299 169 354 4 0 18 12 0 -1 0 0.00000 4 15 51 114 329 $params 4 0 18 12 0 -1 0 0.00000 4 15 77 49 314 PARAMETER 4 0 18 12 0 -1 0 0.00000 4 15 58 49 354 $paramsb -6 6 49 184 494 244 6 49 184 269 244 4 2 18 12 0 -1 0 0.00000 4 15 80 269 244 $to:filtername 4 0 18 13 0 -1 0 0.00000 4 15 37 79 239 Filter: 4 0 18 13 0 -1 0 0.00000 4 15 70 129 244 $filtername 4 0 18 12 0 -1 0 0.00000 4 15 94 49 199 COLUMNFILTER -6 6 294 189 494 239 4 0 18 13 0 -1 0 0.00000 4 15 84 294 239 Compression 4 0 18 13 0 -1 0 0.00000 4 15 89 404 204 $compression -6 -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 39 39 39 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 49 79 679 79 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 49 284 679 284 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 49 169 679 169 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 47 49 69 $cancel 4 0 18 13 0 -1 0 0.00000 4 15 34 159 69 $start 4 0 18 13 0 -1 0 0.00000 4 15 34 279 69 $help 4 0 18 12 0 -1 0 0.00000 4 15 107 49 104 Select Sequences: 4 0 18 12 0 -1 0 0.00000 4 15 21 379 99 SAI 4 0 18 12 0 -1 0 0.00000 4 15 29 459 99 Helix 4 0 18 12 0 -1 0 0.00000 4 15 43 379 124 $topsai 4 0 18 12 0 -1 0 0.00000 4 15 62 379 154 $middlesai 4 0 18 12 0 -1 0 0.00000 4 15 52 459 154 $middleh 4 0 18 12 0 -1 0 0.00000 4 15 33 459 124 $toph 4 0 18 12 0 -1 0 0.00000 4 15 25 299 124 $top 4 0 18 12 0 -1 0 0.00000 4 15 45 299 154 $middle 4 0 18 12 0 -1 0 0.00000 4 15 58 279 99 Sequence 4 0 18 12 0 -1 0 0.00000 4 15 67 219 149 middle area 4 0 18 12 0 -1 0 0.00000 4 15 47 219 119 top area 4 0 18 12 0 -1 0 0.00000 4 15 65 539 99 Consensus 4 0 18 12 0 -1 0 0.00000 4 15 33 539 124 $topk 4 0 18 12 0 -1 0 0.00000 4 15 52 539 154 $middlek 4 0 18 12 0 -1 0 0.00000 4 15 46 619 99 Remark 4 0 18 12 0 -1 0 0.00000 4 15 31 619 124 $topr 4 0 18 12 0 -1 0 0.00000 4 15 50 619 154 $middler ./arbsrc_9167/lib/pictures/gdeitem.fig0000644012664100000130000000253211213220012017632 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 2070 2835 4725 3015 4 0 -1 0 0 18 13 0.0000 4 135 990 2100 2970 $filtername\001 4 2 -1 0 0 18 12 0.0000 4 150 1260 4725 2970 $to:filtername\001 -6 6 765 3195 3060 3465 4 0 -1 0 0 18 13 0.0000 4 165 990 778 3330 Compression\001 4 0 -1 0 0 18 13 0.0000 4 165 1080 1980 3405 $compression\001 -6 6 765 855 4680 1080 4 0 -1 0 0 18 13 0.0000 4 135 630 778 1020 $cancel\001 4 0 -1 0 0 18 13 0.0000 4 165 450 4200 1020 $help\001 4 0 -1 0 0 18 13 0.0000 4 135 540 2400 1020 $start\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 600 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 750 2550 7800 2550 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 8400 4575 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 750 3675 7800 3675 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 750 1125 7800 1125 4 0 -1 0 0 18 13 0.0000 4 165 1260 1950 1575 $which_species\001 4 0 -1 0 0 18 13 0.0000 4 165 630 778 1500 Species\001 4 0 -1 0 0 18 12 0.0000 4 165 630 778 2175 $params\001 4 2 -1 0 0 18 12 0.0000 4 165 1710 7800 2325 $to:whick_alignment\001 4 0 -1 0 0 18 13 0.0000 4 165 1440 5400 1575 $which_alignment\001 4 0 -1 0 0 18 13 0.0000 4 165 810 4200 1500 Alignment\001 4 0 -1 0 0 18 12 0.0000 4 165 720 778 4125 $paramsb\001 4 0 -1 0 0 18 13 0.0000 4 165 990 4905 2925 $stop_codon\001 4 0 -1 0 0 18 13 0.0000 4 150 630 778 2925 Filter:\001 ./arbsrc_9167/lib/pictures/gdeitem_simple.fig0000644012664100000130000000072611213220012021206 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 720 1530 8415 1755 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 8400 1695 4 0 -1 0 0 18 12 0.0000 4 165 720 750 1695 $paramsb\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 600 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 750 1200 7800 1200 4 0 -1 0 0 18 13 0.0000 4 135 630 750 975 $cancel\001 4 0 -1 0 0 18 13 0.0000 4 165 450 4200 975 $help\001 4 0 -1 0 0 18 13 0.0000 4 135 540 2400 975 $start\001 ./arbsrc_9167/lib/pictures/gene_layout.fig0000644012664100000130000000462011213220012020527 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1620 2070 5175 2295 4 0 -1 0 0 18 12 0.0000 4 180 2130 1620 2235 Basepositions per 'Line'\001 4 0 -1 0 0 18 12 0.0000 4 180 945 4230 2235 $base_pos\001 -6 6 1620 2520 5490 2790 4 0 -1 0 0 18 12 0.0000 4 135 1080 1620 2685 Width factor\001 4 0 -1 0 0 18 12 0.0000 4 180 1245 4230 2685 $width_factor\001 -6 6 1620 2970 5310 3150 4 0 -1 0 0 18 12 0.0000 4 180 1275 1620 3105 Height of lines\001 4 0 -1 0 0 18 12 0.0000 4 180 1050 4230 3105 $line_height\001 -6 6 1620 3375 5265 3555 4 0 -1 0 0 18 12 0.0000 4 180 1845 1620 3510 Space between lines\001 4 0 -1 0 0 18 12 0.0000 4 180 1035 4230 3510 $line_space\001 -6 6 1620 5040 5130 5310 4 0 -1 0 0 18 12 0.0000 4 135 750 1620 5220 Factor Y\001 4 0 -1 0 0 18 12 0.0000 4 180 870 4230 5220 $factor_y\001 -6 6 1350 5670 3105 7245 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1440 5940 1440 7200 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1440 5940 3060 5940 4 0 -1 0 0 18 12 0.0000 4 180 1290 1350 5805 Radial display:\001 -6 6 1620 6165 4860 6345 4 0 -1 0 0 18 12 0.0000 4 135 990 1620 6300 Center size\001 4 0 -1 0 0 18 12 0.0000 4 165 615 4230 6300 $inside\001 -6 6 6840 2025 10530 2205 4 0 -1 0 0 18 12 0.0000 4 135 945 6840 2160 Arrow size\001 4 0 -1 0 0 18 12 0.0000 4 180 1080 9450 2160 $arrow_size\001 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1440 1890 1440 3690 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1440 1890 3060 1890 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1440 4320 1440 5580 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1440 4320 3060 4320 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 6660 1845 6660 5625 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 6660 1845 8280 1845 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 7 0 0 5 11790 7515 11790 600 1200 600 1200 7515 11790 7515 4 0 -1 0 0 18 12 0.0000 4 165 570 1425 1200 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 1920 1350 1725 "Book-style" display:\001 4 0 -1 0 0 18 12 0.0000 4 135 750 1620 4755 Factor X\001 4 0 -1 0 0 18 12 0.0000 4 180 855 4230 4755 $factor_x\001 4 0 -1 0 0 18 12 0.0000 4 180 1425 1350 4185 Vertical display:\001 4 0 -1 0 0 18 12 0.0000 4 135 945 1620 6840 Radial size\001 4 0 -1 0 0 18 12 0.0000 4 165 750 4230 6840 $outside\001 4 2 -1 0 0 18 12 0.0000 4 180 465 11250 1200 $help\001 4 0 -1 0 0 18 12 0.0000 4 180 1065 6570 1710 All displays:\001 4 0 -1 0 0 18 12 0.0000 4 180 1260 6840 2835 $show_hidden\001 4 0 -1 0 0 18 12 0.0000 4 180 885 6840 3195 $show_all\001 ./arbsrc_9167/lib/pictures/gene_options.fig0000644012664100000130000000071711213220012020710 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6600 3600 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2880 2025 4905 2025 4 0 -1 0 0 18 12 0.0000 4 165 570 1425 1575 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 6375 1575 $help\001 4 0 -1 0 0 18 12 0.0000 4 165 675 1425 2625 $button\001 4 1 -1 0 0 18 14 0.0000 4 210 1890 3900 1950 Gene map options\001 ./arbsrc_9167/lib/pictures/help.fig0000644012664100000130000000256711213220012017154 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 14715 10890 16245 11205 6 14715 10890 16065 11070 4 0 -1 0 0 18 12 0.0000 4 165 735 14715 11025 $XY:edit\001 4 2 -1 0 0 18 12 0.0000 4 165 975 16065 11025 $to:XY:edit\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 16215 11175 -6 6 6300 10800 10125 11115 4 0 -1 0 0 18 12 0.0000 4 180 1365 6300 10935 $XY:expression\001 4 2 -1 0 0 18 12 0.0000 4 180 1605 10125 11070 $to:XY:expression\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 1125 4 2 -1 0 0 18 12 0.0000 4 165 765 3300 1485 $to:back\001 4 0 -1 0 0 18 12 0.0000 4 165 570 825 1485 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 810 1950 1485 $to:close\001 4 0 -1 0 0 18 12 0.0000 4 165 525 2100 1485 $back\001 4 0 -1 0 0 18 12 0.0000 4 165 465 6030 2250 $text\001 4 2 -1 0 0 18 12 0.0000 4 165 1005 16110 10530 $to:XY:text\001 4 1 -1 0 0 18 12 0.0000 4 180 750 11760 1890 Helptext\001 4 0 -1 0 0 18 12 0.0000 4 165 1005 10755 11025 $XY:search\001 4 2 -1 0 0 18 12 0.0000 4 180 840 5805 5445 $to:super\001 4 0 -1 0 0 18 12 0.0000 4 165 420 720 6255 $sub\001 4 1 -1 0 0 18 12 0.0000 4 180 885 3000 5895 Subtopics\001 4 2 -1 0 0 18 12 0.0000 4 165 840 5850 10530 $to:Y:sub\001 4 1 -1 0 0 18 12 0.0000 4 180 3630 2880 1890 Press item below to go to a MAIN TOPIC\001 4 0 -1 0 0 18 12 0.0000 4 180 600 705 2250 $super\001 4 0 -1 0 0 18 12 0.0000 4 165 945 720 11025 $Y:browse\001 ./arbsrc_9167/lib/pictures/inschar.fig0000644012664100000130000000124511213220012017643 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 399 249 399 19 39 19 39 249 399 249 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 44 194 389 194 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 44 94 394 94 9999 9999 4 0 18 16 0 -1 0 0.00000 4 19 90 79 184 $characters 4 0 18 16 0 -1 0 0.00000 4 19 32 79 154 $len 4 0 18 16 0 -1 0 0.00000 4 19 38 79 124 $pos 4 1 18 16 0 -1 0 0.00000 4 19 55 234 234 $delete 4 1 18 16 0 -1 0 0.00000 4 19 52 99 234 $insert 4 1 18 14 0 -1 0 0.00000 4 19 199 219 79 all species + SAIs sequences 4 0 18 16 0 -1 0 0.00000 4 19 50 49 54 $close 4 2 0 12 0 -1 0 0.00000 4 16 26 389 54 $help 4 1 18 14 0 -1 0 0.00000 4 17 160 219 59 Insert/Delete column in ./arbsrc_9167/lib/pictures/join_species.fig0000644012664100000130000000211311440743000020672 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1620 2100 8010 2100 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 8400 5760 8400 1200 1200 1200 1200 5760 8400 5760 4 0 -1 0 0 18 12 0.0000 4 165 570 1425 1650 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 8100 1725 $help\001 4 1 -1 0 0 18 14 0.0000 4 210 1305 4800 1725 Join species\001 4 1 -1 0 0 18 14 0.0000 4 210 6135 4800 2025 joins all marked species which have the same value in field:\001 4 0 -1 0 0 18 12 0.0000 4 135 525 1575 2625 FIELD\001 4 0 -1 0 0 18 12 0.0000 4 180 2865 4770 3015 Separate database entries with:\001 4 0 -1 0 0 18 12 0.0000 4 180 495 4770 3415 $sym\001 4 0 -1 0 0 18 12 0.0000 4 180 735 5985 3420 $to:sym\001 4 0 -1 0 0 18 12 0.0000 4 180 2220 4770 3815 Separate sequences with:\001 4 0 -1 0 0 18 12 0.0000 4 180 810 4770 4215 $symseq\001 4 0 -1 0 0 18 12 0.0000 4 180 1050 5985 4215 $to:symseq\001 4 2 -1 0 0 18 12 0.0000 4 165 720 4005 4860 $to:field\001 4 0 -1 0 0 18 12 0.0000 4 180 315 1605 5445 $go\001 4 0 -1 0 0 18 12 0.0000 4 165 480 1605 3000 $field\001 ./arbsrc_9167/lib/pictures/load_box.fig0000644012664100000130000000166011213220012020004 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3555 6030 4860 6210 4 0 -1 0 0 18 12 0.0000 4 180 495 3570 6165 $Y:go\001 4 2 -1 0 0 18 12 0.0000 4 180 735 4845 6165 $to:Y:go\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 600 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6930 6435 4 2 -1 0 0 18 12 0.0000 4 180 465 4650 1050 $help\001 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1050 $close\001 4 1 -1 0 0 18 12 0.0000 4 135 1560 3000 1425 Select file to load\001 4 2 -1 0 0 18 12 0.0000 4 180 1200 5775 2655 $to:file_name\001 4 0 -1 0 0 18 12 0.0000 4 180 960 2475 2580 $file_name\001 4 0 -1 0 0 18 12 0.0000 4 165 525 2475 1995 $filter\001 4 2 -1 0 0 18 12 0.0000 4 165 765 5775 2070 $to:filter\001 4 2 -1 0 0 18 12 0.0000 4 165 960 6660 5670 $to:XY:box\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1350 1980 Filter\001 4 0 -1 0 0 18 12 0.0000 4 135 780 1350 2565 Filename\001 4 0 -1 0 0 18 12 0.0000 4 165 420 1350 3105 $box\001 ./arbsrc_9167/lib/pictures/macro_message.fig0000644012664100000130000000065111213220012021021 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 79 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 559 279 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 59 84 99 $Message 4 0 18 12 0 -1 0 0.00000 4 15 45 89 269 $Y:Hide 4 2 18 12 0 -1 0 0.00000 4 15 61 179 269 $to:Y:Hide 4 0 18 12 0 -1 0 0.00000 4 15 49 219 269 $Y:Clear 4 2 18 12 0 -1 0 0.00000 4 15 65 319 269 $to:Y:Clear 4 2 18 12 0 -1 0 0.00000 4 15 94 554 234 $to:XY:Message ./arbsrc_9167/lib/pictures/macro_select.fig0000644012664100000130000000175311213220012020660 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 519 444 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 94 64 $close 4 0 18 12 0 -1 0 0.00000 4 15 43 439 64 $X:help 4 0 18 12 0 -1 0 0.00000 4 15 47 94 439 $Y:exec 4 0 18 12 0 -1 0 0.00000 4 15 54 399 439 $Y:delete 4 2 18 12 0 -1 0 0.00000 4 15 58 509 64 $to:X:help 4 2 18 12 0 -1 0 0.00000 4 15 62 174 439 $to:Y:exec 4 2 18 12 0 -1 0 0.00000 4 15 61 279 439 $to:Y:start 4 2 18 12 0 -1 0 0.00000 4 15 69 499 439 $to:Y:delete 4 2 18 12 0 -1 0 0.00000 4 15 63 504 339 $to:XY:box 4 0 18 12 0 -1 0 0.00000 4 15 75 94 399 $Y:file_name 4 0 18 12 0 -1 0 0.00000 4 15 92 99 89 Existing Macros 4 0 18 12 0 -1 0 0.00000 4 15 28 94 114 $box 4 0 18 12 0 -1 0 0.00000 4 15 48 199 439 $Y:start 4 0 18 12 0 -1 0 0.00000 4 15 103 99 364 Y:Name of Macro 4 2 18 12 0 -1 0 0.00000 4 15 57 374 439 $to:Y:edit 4 0 18 12 0 -1 0 0.00000 4 15 41 299 439 $Y:edit 4 2 18 12 0 -1 0 0.00000 4 15 98 504 409 $to:XY:file_name ./arbsrc_9167/lib/pictures/merge/ad_align.fig0000644012664100000130000000227311213220012021053 0ustar arb_buildcoders#FIG 2.1 80 2 6 259 104 314 194 4 0 18 13 0 -1 0 0.00000 4 15 44 259 119 $delete 4 0 18 13 0 -1 0 0.00000 4 15 53 259 144 $rename 4 0 18 13 0 -1 0 0.00000 4 15 44 259 169 $create 4 0 18 13 0 -1 0 0.00000 4 15 37 259 194 $copy -6 6 79 104 239 199 4 0 18 12 0 -1 0 0.00000 4 15 25 79 119 $list 4 2 18 12 0 -1 0 0.00000 4 15 41 239 199 $to:list -6 2 1 0 2 -1 0 0 0 0.000 -1 0 0 64 209 404 209 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 189 84 294 84 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 429 404 429 39 39 39 39 404 429 404 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 140 79 279 Maximum Seq. Length 4 0 18 13 0 -1 0 0.00000 4 15 122 79 309 Type of Sequences: 4 0 18 13 0 -1 0 0.00000 4 17 118 79 344 The Sequences are 4 0 18 13 0 -1 0 0.00000 4 17 134 79 379 Default Write Security 4 2 18 13 0 -1 0 0.00000 4 17 26 399 284 $len 4 2 18 13 0 -1 0 0.00000 4 17 33 399 314 $type 4 2 18 13 0 -1 0 0.00000 4 17 53 399 349 $aligned 4 2 18 13 0 -1 0 0.00000 4 17 56 399 384 $security 4 1 18 15 0 -1 0 0.00000 4 18 110 239 79 The Alignments 4 1 18 12 0 -1 0 0.00000 4 15 175 239 239 Info about selected alignment 4 0 18 13 0 -1 0 0.00000 4 15 40 59 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 409 69 $help ./arbsrc_9167/lib/pictures/merge/alignment.fig0000644012664100000130000000171611213220012021274 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 84 319 159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 99 99 159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 99 539 159 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 599 379 599 24 39 24 39 379 599 379 9999 9999 4 1 18 12 0 -1 0 0.00000 4 15 31 319 94 $icon 4 0 18 12 0 -1 0 0.00000 4 15 27 49 174 $ali1 4 0 18 12 0 -1 0 0.00000 4 15 27 404 174 $ali2 4 0 18 12 0 -1 0 0.00000 4 15 42 244 174 $check 4 2 18 12 0 -1 0 0.00000 4 15 58 394 179 $to:check 4 1 18 12 0 -1 0 0.00000 4 15 178 319 59 Check alignment compabilities 4 2 18 12 0 -1 0 0.00000 4 15 43 584 334 $to:ali2 4 0 18 12 0 -1 0 0.00000 4 15 55 404 359 $modify2 4 2 18 12 0 -1 0 0.00000 4 15 43 234 334 $to:ali1 4 0 18 12 0 -1 0 0.00000 4 15 55 49 359 $modify1 4 0 18 12 0 -1 0 0.00000 4 15 38 49 54 $close 4 2 18 12 0 -1 0 0.00000 4 15 53 139 54 $to:close 4 0 18 12 0 -1 0 0.00000 4 15 31 519 54 $help 4 2 18 12 0 -1 0 0.00000 4 15 46 589 54 $to:help ./arbsrc_9167/lib/pictures/merge/configs.fig0000644012664100000130000000243511213220012020745 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3645 6435 5940 6705 4 0 -1 0 0 18 12 0.0000 4 165 795 3675 6585 $transfer\001 4 2 -1 0 0 18 12 0.0000 4 165 1020 5925 6660 $to:transfer\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9000 7200 9000 600 600 600 600 7200 9000 7200 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4800 1275 4800 6255 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4800 1500 1500 2400 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4800 1500 8100 2400 4 0 -1 0 0 18 12 0.0000 4 180 840 750 2625 $configs1\001 4 2 -1 0 0 18 12 0.0000 4 180 690 8850 1050 $to:help\001 4 0 -1 0 0 18 12 0.0000 4 180 465 7800 1050 $help\001 4 1 -1 0 0 18 12 0.0000 4 180 3150 4800 900 Copy Configuration from DB1 to DB2\001 4 1 -1 0 0 18 12 0.0000 4 165 465 4800 1425 $icon\001 4 0 -1 0 0 18 12 0.0000 4 165 870 6075 7050 $rename2\001 4 0 -1 0 0 18 12 0.0000 4 165 870 750 7050 $rename1\001 4 0 -1 0 0 18 12 0.0000 4 165 735 750 6600 $delete1\001 4 0 -1 0 0 18 12 0.0000 4 165 735 6075 6600 $delete2\001 4 2 -1 0 0 18 12 0.0000 4 180 1065 8850 6225 $to:configs2\001 4 0 -1 0 0 18 12 0.0000 4 165 570 750 1050 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 795 2100 1050 $to:close\001 4 2 -1 0 0 18 12 0.0000 4 180 1065 4590 6225 $to:configs1\001 4 0 -1 0 0 18 12 0.0000 4 180 840 5040 2625 $configs2\001 ./arbsrc_9167/lib/pictures/merge/extended.fig0000644012664100000130000000310111213220012021104 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 84 319 159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 99 99 159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 99 539 159 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 319 194 319 649 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 49 484 304 484 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 329 484 584 484 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 599 679 9999 9999 4 2 18 12 0 -1 0 0.00000 4 15 46 589 69 $to:help 4 0 18 12 0 -1 0 0.00000 4 15 31 519 69 $help 4 1 18 12 0 -1 0 0.00000 4 15 31 319 94 $icon 4 0 18 12 0 -1 0 0.00000 4 15 58 404 469 $rename2 4 0 18 12 0 -1 0 0.00000 4 15 58 49 469 $rename1 4 0 18 12 0 -1 0 0.00000 4 15 49 49 439 $delete1 4 0 18 12 0 -1 0 0.00000 4 15 49 404 439 $delete2 4 0 18 12 0 -1 0 0.00000 4 15 53 244 174 $transfer 4 2 18 12 0 -1 0 0.00000 4 15 68 394 179 $to:transfer 4 0 18 12 0 -1 0 0.00000 4 15 38 49 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 53 139 69 $to:close 4 0 18 12 0 -1 0 0.00000 4 15 28 49 174 $ex1 4 2 18 12 0 -1 0 0.00000 4 15 43 234 414 $to:ex1 4 0 18 12 0 -1 0 0.00000 4 15 28 404 174 $ex2 4 0 18 12 0 -1 0 0.00000 4 15 35 49 539 $info1 4 0 18 12 0 -1 0 0.00000 4 15 106 49 509 Infobox Database I 4 1 18 12 0 -1 0 0.00000 4 15 154 319 59 Copy SAI from DBI to DBII 4 2 18 12 0 -1 0 0.00000 4 15 70 589 669 $to:XY:info2 4 2 18 12 0 -1 0 0.00000 4 15 55 589 414 $to:X:ex2 4 2 18 12 0 -1 0 0.00000 4 15 62 304 669 $to:Y:info1 4 0 18 12 0 -1 0 0.00000 4 15 109 329 509 Infobox Database II 4 0 18 12 0 -1 0 0.00000 4 15 35 329 539 $info2 ./arbsrc_9167/lib/pictures/merge/main.fig0000644012664100000130000000257311213220012020244 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1170 6300 5445 7740 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 4 1200 6330 1200 6480 5400 6480 5400 6330 4 1 -1 0 0 18 12 0.0000 4 165 525 3300 7080 $save\001 4 1 -1 0 0 18 12 0.0000 4 180 1095 3300 7680 $save_quick\001 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3300 2100 3300 2775 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 3 1200 2775 5400 2775 5400 2925 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1200 2775 1200 2925 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1275 3900 5325 3900 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1200 1500 5550 1500 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 6000 8055 6000 1050 600 1050 600 8055 6000 8055 4 2 -1 0 0 18 12 0.0000 4 180 465 5850 2175 $help\001 4 0 -1 0 0 18 12 0.0000 4 165 570 750 2175 $close\001 4 1 -1 0 0 18 12 0.0000 4 165 465 3300 2175 $icon\001 4 1 -1 0 0 18 12 0.0000 4 165 555 3300 5400 $trees\001 4 1 -1 0 0 18 12 0.0000 4 165 1005 3300 4875 $extendeds\001 4 1 -1 0 0 18 12 0.0000 4 180 780 3300 4350 $species\001 4 1 -1 0 0 18 12 0.0000 4 180 945 3300 3225 $alignment\001 4 1 -1 0 0 18 12 0.0000 4 165 690 3300 3675 $names\001 4 1 -1 0 0 18 14 0.0000 4 150 4575 3375 1425 Transfer items from database I to database II\001 4 1 -1 0 0 18 12 0.0000 4 165 420 5025 2625 $db2\001 4 1 -1 0 0 18 12 0.0000 4 165 420 1575 2625 $db1\001 4 1 -1 0 0 18 12 0.0000 4 180 735 3300 5940 $configs\001 ./arbsrc_9167/lib/pictures/merge/mg_def_gene_species_fields.fig0000644012664100000130000000412411213220012024572 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 5085 1395 7425 1710 4 0 -1 0 0 18 13 0.0000 4 165 1470 5085 1710 Save/Restore:\001 4 0 -1 0 0 18 13 0.0000 4 195 600 6795 1575 $save\001 -6 6 9405 8010 11250 8325 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 11250 8325 4 2 -1 0 0 18 13 0.0000 4 210 1605 11025 8190 $to:XY:example\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1125 1125 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 5 1350 6660 1350 3330 7740 3330 7740 6660 1350 6660 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 4 4500 4500 4680 4500 4680 5040 4500 5040 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 4680 4770 4950 4770 4 0 -1 0 0 18 13 0.0000 4 195 675 1350 1575 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 10935 1575 $help\001 4 0 -1 0 0 18 13 0.0000 4 195 675 7965 2745 $fields\001 4 0 -1 0 0 18 13 0.0000 4 195 735 3060 2385 $active\001 4 0 -1 0 0 18 13 0.0000 4 165 1305 1350 2385 Create fields\001 4 0 -1 0 0 18 12 0.0000 4 135 1275 7965 2295 Defined fields:\001 4 0 0 50 0 0 12 0.0000 4 180 1080 4230 2340 (global on/off)\001 4 0 -1 0 0 18 13 0.0000 4 165 1440 1350 3240 Creation rule:\001 4 0 -1 0 0 18 13 0.0000 4 165 1815 1530 4230 Creation method:\001 4 0 -1 0 0 18 13 0.0000 4 210 1320 1530 4680 $sel_method\001 4 0 -1 0 0 18 13 0.0000 4 165 1320 1530 3780 Source field:\001 4 0 -1 0 0 18 13 0.0000 4 165 450 1530 6030 ACI:\001 4 0 -1 0 0 18 13 0.0000 4 195 450 3060 3780 $src\001 4 0 -1 0 0 18 13 0.0000 4 210 870 7200 3780 $src_sel\001 4 2 -1 0 0 18 13 0.0000 4 195 735 7020 3780 $to:src\001 4 0 -1 0 0 18 13 0.0000 4 195 420 1530 6480 $aci\001 4 2 -1 0 0 18 13 0.0000 4 195 705 7560 6480 $to:aci\001 4 0 -1 0 0 18 13 0.0000 4 210 3060 1350 7020 Example for selected species:\001 4 0 -1 0 0 18 13 0.0000 4 210 960 1350 7470 $example\001 4 0 -1 0 0 18 13 0.0000 4 195 570 3060 2805 $dest\001 4 2 -1 0 0 18 13 0.0000 4 195 855 7560 2805 $to:dest\001 4 0 -1 0 0 18 13 0.0000 4 165 1395 1350 2790 Created field:\001 4 0 -1 0 0 18 13 0.0000 4 195 750 9630 2295 $delete\001 4 0 0 50 0 0 12 0.0000 4 135 1665 5040 4860 ... and use ACI below.\001 4 2 -1 0 0 18 13 0.0000 4 195 1170 11025 6930 $to:X:fields\001 ./arbsrc_9167/lib/pictures/merge/mg_mergetaggedfield.fig0000644012664100000130000000171211440743000023265 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 639 599 639 39 79 39 79 599 639 599 9999 9999 4 2 18 12 0 -1 0 0.00000 4 15 31 624 69 $help 4 0 18 13 0 -1 0 0.00000 4 15 40 89 69 $close 4 0 18 12 0 -1 0 0.00000 4 15 222 244 84 Merge tagged fields (read help file first) 4 0 18 12 0 -1 0 0.00000 4 15 32 519 519 $tag2 4 2 18 12 0 -1 0 0.00000 4 15 60 629 469 $to:fields2 4 2 18 12 0 -1 0 0.00000 4 15 60 354 469 $to:fields1 4 0 18 12 0 -1 0 0.00000 4 15 32 239 519 $tag1 4 0 18 12 0 -1 0 0.00000 4 15 109 89 514 Tag Name of Field1 4 0 18 12 0 -1 0 0.00000 4 15 109 369 514 Tag Name of Field2 4 0 18 12 0 -1 0 0.00000 4 15 104 109 114 Fieldname of DB1 4 0 18 12 0 -1 0 0.00000 4 15 101 394 114 Fieldname of DB2 4 0 18 12 0 -1 0 0.00000 4 15 45 89 144 $fields1 4 0 18 12 0 -1 0 0.00000 4 15 45 369 144 $fields2 4 1 18 12 0 -1 0 0.00000 4 15 21 359 594 $go 4 0 18 12 0 -1 0 0.00000 4 15 31 469 554 $del1 4 0 18 12 0 -1 0 0.00000 4 15 84 239 549 Delete all Tags ./arbsrc_9167/lib/pictures/merge/mg_movefield.fig0000644012664100000130000000072411213220012021751 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 319 479 319 79 79 79 79 479 319 479 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 89 104 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 309 104 $help 4 0 18 13 0 -1 0 0.00000 4 15 52 89 159 $scandb 4 0 18 12 0 -1 0 0.00000 4 15 195 94 134 Select a field to transfer from I to II 4 2 18 13 0 -1 0 0.00000 4 15 68 309 434 $to:scandb 4 2 18 13 0 -1 0 0.00000 4 15 64 309 464 $rescandb 4 0 18 12 0 -1 0 0.00000 4 15 21 89 464 $go ./arbsrc_9167/lib/pictures/merge/mg_transfield.fig0000644012664100000130000000107711213220012022134 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 319 519 319 79 79 79 79 519 319 519 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 89 104 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 309 104 $help 4 0 18 13 0 -1 0 0.00000 4 15 52 89 159 $scandb 4 0 18 12 0 -1 0 0.00000 4 15 195 94 134 Select a field to transfer from I to II 4 0 18 12 0 -1 0 0.00000 4 15 21 89 509 $go 4 2 18 13 0 -1 0 0.00000 4 15 64 309 509 $rescandb 4 2 18 13 0 -1 0 0.00000 4 15 68 309 434 $to:scandb 4 0 18 12 0 -1 0 0.00000 4 15 96 89 469 Append data ??? 4 2 18 12 0 -1 0 0.00000 4 15 49 309 474 $append ./arbsrc_9167/lib/pictures/merge/names.fig0000644012664100000130000000244011213220012020414 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1440 5085 8370 5445 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 8370 5445 4 0 -1 0 0 18 12 0.0000 4 135 630 1440 5220 $rename\001 4 0 -1 0 0 18 12 0.0000 4 135 630 3870 5220 $status\001 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4440 2700 3090 3600 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 5340 2700 6690 3600 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1260 675 4 2 -1 0 0 18 12 0.0000 4 165 450 8175 1050 $help\001 4 1 -1 0 0 18 12 0.0000 4 135 3060 4800 1200 This module creates new names from\001 4 1 -1 0 0 18 12 0.0000 4 165 5040 4800 1740 It is mandatory to generate new names for both databases\001 4 1 -1 0 0 18 12 0.0000 4 165 4500 4800 1470 accession numbers and an optional additional field\001 4 1 -1 0 0 18 12 0.0000 4 165 3600 4800 2010 to create the same name for same species\001 4 1 -1 0 0 18 12 0.0000 4 135 450 4890 2625 $icon\001 4 1 -1 0 0 18 12 0.0000 4 135 630 3150 3975 $addid1\001 4 1 -1 0 0 18 12 0.0000 4 135 630 6660 3975 $addid2\001 4 1 -1 0 0 18 12 0.0000 4 135 540 4860 4005 $match\001 4 0 -1 0 0 18 12 0.0000 4 150 990 1440 3960 Add.fields:\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1425 1035 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 450 1440 4455 $dups\001 4 0 -1 0 0 18 12 0.0000 4 135 810 1440 4815 $override\001 ./arbsrc_9167/lib/pictures/merge/preserves.fig0000644012664100000130000000233711440743000021345 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1530 4680 8100 4680 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1170 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 8460 7740 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 2340 1350 7290 1350 4 0 -1 0 0 18 12 0.0000 4 165 570 1425 975 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 8175 975 $help\001 4 2 -1 0 0 18 12 0.0000 4 165 525 3690 4500 $to:ali\001 4 1 -1 0 0 18 12 0.0000 4 180 4770 4800 1260 Find and select species/SAIs for alignment adaption\001 4 2 -1 0 0 18 12 0.0000 4 165 1170 6705 4455 $to:reference\001 4 0 -1 0 0 18 12 0.0000 4 165 300 1530 2475 $ali\001 4 0 -1 0 0 18 12 0.0000 4 180 870 1530 2070 Alignment\001 4 2 -1 0 0 18 12 0.0000 4 165 1470 8055 7560 $to:XY:candidate\001 4 0 -1 0 0 18 12 0.0000 4 165 945 1530 5535 $candidate\001 4 0 -1 0 0 18 12 0.0000 4 165 420 7020 2475 $add\001 4 0 -1 0 0 18 12 0.0000 4 165 540 7020 3015 $clear\001 4 0 -1 0 0 18 12 0.0000 4 165 945 4185 2475 $reference\001 4 0 -1 0 0 18 12 0.0000 4 165 420 4230 5085 $find\001 4 0 -1 0 0 18 12 0.0000 4 135 975 1530 5175 Candidates\001 4 0 -1 0 0 18 12 0.0000 4 180 885 4185 1935 $adapt\001 4 0 -1 0 0 18 12 0.0000 4 180 1515 4230 2115 using References\001 ./arbsrc_9167/lib/pictures/merge/seqcheck.fig0000644012664100000130000000300011213220012021070 0ustar arb_buildcoders#FIG 2.1 80 2 6 94 414 509 494 4 2 18 12 0 -1 0 0.00000 4 15 67 509 434 $to:exclude 4 0 18 12 0 -1 0 0.00000 4 15 253 94 429 Before comparing fields remove characters 4 0 18 12 0 -1 0 0.00000 4 15 52 359 434 $exclude 4 0 18 12 0 -1 0 0.00000 4 15 156 94 464 Uppercase == Lowercase ? 4 0 18 12 0 -1 0 0.00000 4 15 51 359 469 $toupper 4 0 18 12 0 -1 0 0.00000 4 15 148 94 489 Try to correct field in DB II 4 0 18 12 0 -1 0 0.00000 4 15 49 359 494 $correct -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 519 719 9999 9999 4 1 18 12 0 -1 0 0.00000 4 15 199 299 74 Compare two entries of a database 4 1 18 12 0 -1 0 0.00000 4 15 244 299 92 If a difference exists then write the position 4 1 18 12 0 -1 0 0.00000 4 15 152 299 110 to a field in both databases 4 0 18 12 0 -1 0 0.00000 4 15 38 94 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 499 69 $help 4 0 18 12 0 -1 0 0.00000 4 15 141 94 144 Select a field to compare 4 2 18 12 0 -1 0 0.00000 4 15 62 509 364 $to:source 4 0 18 12 0 -1 0 0.00000 4 15 47 359 149 $source 4 2 18 12 0 -1 0 0.00000 4 15 67 509 679 $to:XY:dest 4 0 18 12 0 -1 0 0.00000 4 15 33 94 704 $Y:go 4 0 18 12 0 -1 0 0.00000 4 15 203 109 549 ( and delete field in case of equality) 4 0 18 12 0 -1 0 0.00000 4 15 192 94 529 Write the position of difference to: 4 0 18 12 0 -1 0 0.00000 4 15 32 359 529 $dest 4 2 18 12 0 -1 0 0.00000 4 15 48 199 704 $to:Y:go 4 0 18 12 0 -1 0 0.00000 4 15 25 359 399 $tag 4 0 18 12 0 -1 0 0.00000 4 15 113 94 394 Select TAG/Subfield ./arbsrc_9167/lib/pictures/merge_species.fig0000644012664100000130000000150711213220012021027 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 6840 3375 6840 600 630 600 630 3375 6840 3375 2 2 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 5 720 1035 6750 1035 6750 2790 720 2790 720 1035 4 2 -1 0 0 18 12 0.0000 4 180 465 6660 855 $help\001 4 0 0 50 0 26 14 0.0000 4 210 5640 990 1440 Select Database Field to Merge SIMILAR Species \001 4 0 -1 0 0 18 12 0.0000 4 180 1125 2520 1890 $field_select\001 4 0 -1 0 0 18 12 0.0000 4 180 1200 2520 2655 $store_sp_no\001 4 0 0 50 0 26 12 0.0000 4 180 5025 1125 2205 Enter the field name to store no of species merged \001 4 0 -1 0 0 18 12 0.0000 4 165 570 810 900 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 810 2520 900 $to:close\001 4 0 -1 0 0 18 12 0.0000 4 180 660 2520 3240 $merge\001 4 0 -1 0 0 18 12 0.0000 4 180 900 5265 3240 $to:merge\001 ./arbsrc_9167/lib/pictures/merge/species.fig0000644012664100000130000001150311213220012020744 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 8820 5310 10080 7650 4 0 -1 0 0 18 13 0.0000 4 165 810 8850 5475 $doquery2\001 4 0 -1 0 0 18 12 0.0000 4 165 1080 8850 7575 $openparser2\001 4 0 -1 0 0 18 13 0.0000 4 135 990 8850 5925 $dorefresh2\001 4 0 -1 0 0 18 13 0.0000 4 135 900 8850 6300 $dodelete2\001 4 0 -1 0 0 18 13 0.0000 4 135 630 8850 6900 $doset2\001 -6 6 2835 1035 11700 1260 4 0 -1 0 0 18 13 0.0000 4 165 360 2850 1200 $by1\001 4 0 -1 0 0 18 13 0.0000 4 165 360 11250 1200 $by2\001 -6 6 1935 2430 14535 2610 6 10350 2430 14535 2610 4 0 -1 0 0 18 12 0.0000 4 135 1080 10350 2580 Search field\001 4 0 -1 0 0 18 12 0.0000 4 165 1170 13365 2580 Search string\001 -6 6 1935 2430 6120 2610 4 0 -1 0 0 18 12 0.0000 4 135 1080 1950 2580 Search field\001 4 0 -1 0 0 18 12 0.0000 4 165 1170 4950 2580 Search string\001 -6 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 6675 1500 6675 10725 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8700 8100 14775 8100 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8700 4725 14775 4725 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8700 2250 14775 2250 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 300 8100 6375 8100 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 300 4725 6375 4725 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 300 2250 6375 2250 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8475 1500 8475 10725 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 75 75 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 15075 10875 4 0 -1 0 0 18 13 0.0000 4 135 540 300 450 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 450 14175 450 $help\001 4 2 -1 0 0 18 12 0.0000 4 165 630 13125 450 $reopen\001 4 0 -1 0 0 18 13 0.0000 4 135 450 300 1200 $ere1\001 4 0 -1 0 0 18 12 0.0000 4 150 900 225 750 QUERY TYPE\001 4 0 -1 0 0 18 12 0.0000 4 150 720 11400 5025 HITLIST:\001 4 0 -1 0 0 18 12 0.0000 4 150 1170 8625 5025 PERFORM QUERY\001 4 0 -1 0 0 18 12 0.0000 4 150 450 8625 2550 QUERY\001 4 0 -1 0 0 18 12 0.0000 4 135 630 8625 8400 INFOBOX\001 4 0 -1 0 0 18 12 0.0000 4 135 450 525 8850 $box1\001 4 0 -1 0 0 18 12 0.0000 4 150 720 3000 5025 HITLIST:\001 4 0 -1 0 0 18 12 0.0000 4 150 1170 225 5025 PERFORM QUERY\001 4 0 -1 0 0 18 12 0.0000 4 150 450 225 2550 QUERY\001 4 0 -1 0 0 18 12 0.0000 4 135 630 225 8400 INFOBOX\001 4 2 -1 0 0 18 13 0.0000 4 150 990 6450 7650 $to:result1\001 4 0 -1 0 0 18 13 0.0000 4 135 720 11250 5475 $result2\001 4 0 -1 0 0 18 12 0.0000 4 135 450 8925 8850 $box2\001 4 0 -1 0 0 18 13 0.0000 4 135 450 8775 1200 $ere2\001 4 0 -1 0 0 18 12 0.0000 4 150 900 8625 750 QUERY TYPE\001 4 1 -1 0 0 18 12 0.0000 4 135 450 7575 675 $icon\001 4 2 -1 0 0 18 12 0.0000 4 150 900 6525 10725 $to:Y:box1\001 4 2 -1 0 0 18 12 0.0000 4 150 990 14925 10725 $to:XY:box2\001 4 2 -1 0 0 18 13 0.0000 4 150 1170 14850 7650 $to:X:result2\001 4 0 -1 0 0 18 13 0.0000 4 165 810 450 5475 $doquery1\001 4 0 -1 0 0 18 13 0.0000 4 135 990 450 5925 $dorefresh1\001 4 0 -1 0 0 18 13 0.0000 4 135 900 450 6300 $dodelete1\001 4 0 -1 0 0 18 13 0.0000 4 135 630 450 6900 $doset1\001 4 0 -1 0 0 18 12 0.0000 4 165 1080 450 7575 $openparser1\001 4 1 -1 0 0 18 12 0.0000 4 165 990 7575 5775 $translspec\001 4 1 -1 0 0 18 12 0.0000 4 165 990 7575 4125 $transsspec\001 4 1 -1 0 0 18 12 0.0000 4 135 990 7575 7500 $transfield\001 4 1 -1 0 0 18 12 0.0000 4 135 990 7575 9900 $checkfield\001 4 2 -1 0 0 18 12 0.0000 4 150 1170 8325 3600 $to:reference\001 4 0 -1 0 0 18 12 0.0000 4 135 900 6825 2700 $reference\001 4 0 -1 0 0 18 12 0.0000 4 150 1260 6825 2250 using species:\001 4 0 -1 0 0 18 12 0.0000 4 165 540 6825 1950 $adapt\001 4 0 -1 0 0 16 12 0.0000 4 165 3600 405 4350 empty field means search for fields that\001 4 0 -1 0 0 16 12 0.0000 4 135 3150 405 4560 exists in database 1 and database 2\001 4 0 -1 0 0 16 12 0.0000 4 165 2160 4500 4320 (? and * are wild cards)\001 4 0 -1 0 0 16 12 0.0000 4 180 4590 8685 4410 ( empty field means search for fields that exist in\001 4 0 -1 0 0 16 12 0.0000 4 165 4680 8685 4635 db 1 and db2 and are displayed in the hitlist of db1\001 4 0 -1 0 0 16 12 0.0000 4 165 2160 13095 4410 (? and * are wild cards)\001 4 0 -1 0 0 18 13 0.0000 4 165 900 855 7695 $doconfig1\001 4 0 -1 0 0 18 13 0.0000 4 165 900 9225 7695 $doconfig2\001 4 0 -1 0 0 18 13 0.0000 4 135 720 2850 5475 $result1\001 4 0 -1 0 0 18 13 0.0000 4 135 720 2850 8490 $rescan1\001 4 0 -1 0 0 18 13 0.0000 4 135 720 11250 8490 $rescan2\001 4 0 -1 0 0 18 12 0.0000 4 165 810 7335 1950 $pres_sel\001 4 0 -1 0 0 18 13 0.0000 4 135 630 2850 7995 $count1\001 4 0 -1 0 0 18 13 0.0000 4 135 630 11250 7995 $count2\001 4 1 -1 0 0 18 12 0.0000 4 165 1350 7515 1500 Adapt alignment\001 4 0 -1 0 0 18 13 0.0000 4 135 810 4605 3030 $content1\001 4 0 -1 0 0 18 13 0.0000 4 135 810 13005 3030 $content2\001 4 2 -1 0 0 18 13 0.0000 4 150 1260 14895 3150 $to:X:content2\001 4 0 -1 0 0 18 13 0.0000 4 165 540 300 3045 $qbox1\001 4 0 -1 0 0 18 13 0.0000 4 165 540 8700 3045 $qbox2\001 4 2 -1 0 0 18 13 0.0000 4 150 1080 6390 3030 $to:content1\001 ./arbsrc_9167/lib/pictures/merge/startup.fig0000644012664100000130000000273211213220012021017 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 720 360 2025 540 4 0 -1 0 0 18 13 0.0000 4 135 540 750 525 $close\001 4 2 -1 0 0 18 13 0.0000 4 150 810 2025 525 $to:close\001 -6 6 7830 360 9495 585 4 0 -1 0 0 18 12 0.0000 4 165 450 7845 525 $help\001 4 2 -1 0 0 18 12 0.0000 4 165 720 9495 525 $to:help\001 -6 6 7785 1530 9540 1800 4 2 -1 0 0 18 12 0.0000 4 165 450 9510 1740 $type\001 4 0 -1 0 0 18 12 0.0000 4 135 540 7785 1665 Filter\001 -6 6 7740 6165 9540 6435 4 2 -1 0 0 18 12 0.0000 4 165 540 9540 6375 $mtype\001 4 0 -1 0 0 18 12 0.0000 4 135 540 7740 6300 Filter\001 -6 6 1485 1440 2475 6345 4 0 -1 0 0 18 16 0.0000 4 135 900 1485 1590 Database I\001 4 0 -1 0 0 18 16 0.0000 4 135 990 1485 6315 Database II\001 -6 6 8505 9720 9675 9990 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 9645 9990 4 2 -1 0 0 18 12 0.0000 4 150 990 9495 9885 $to:XY:mbox\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 150 4 0 -1 0 0 18 13 0.0000 4 135 360 1470 2175 $box\001 4 0 -1 0 0 18 13 0.0000 4 150 900 1470 1200 $file_name\001 4 2 -1 0 0 18 13 0.0000 4 150 1350 9540 1305 $to:X:file_name\001 4 0 -1 0 0 18 12 0.0000 4 150 990 1455 5925 $mfile_name\001 4 2 -1 0 0 18 12 0.0000 4 150 1440 9540 6030 $to:X:mfile_name\001 4 2 -1 0 0 18 13 0.0000 4 150 810 9540 5535 $to:X:box\001 4 0 -1 0 0 18 12 0.0000 4 135 450 1485 6795 $mbox\001 4 0 -1 0 0 18 12 0.0000 4 135 450 675 4725 $icon\001 4 1 -1 0 0 18 14 0.0000 4 135 4590 4995 765 Transfer information from database I to database II\001 ./arbsrc_9167/lib/pictures/merge/trees.fig0000644012664100000130000000241411213220012020434 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3645 6435 5940 6705 4 0 -1 0 0 18 12 0.0000 4 165 795 3675 6585 $transfer\001 4 2 -1 0 0 18 12 0.0000 4 165 1020 5925 6660 $to:transfer\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9000 7200 9000 600 600 600 600 7200 9000 7200 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4800 1275 4800 6255 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4800 1500 1500 2400 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 4800 1500 8100 2400 4 0 -1 0 0 18 12 0.0000 4 165 660 750 2625 $trees1\001 4 2 -1 0 0 18 12 0.0000 4 180 690 8850 1050 $to:help\001 4 0 -1 0 0 18 12 0.0000 4 180 465 7800 1050 $help\001 4 1 -1 0 0 18 12 0.0000 4 180 2475 4800 900 Copy Tree from DB1 to DB2\001 4 1 -1 0 0 18 12 0.0000 4 165 465 4800 1425 $icon\001 4 0 -1 0 0 18 12 0.0000 4 165 870 6075 7050 $rename2\001 4 0 -1 0 0 18 12 0.0000 4 165 870 750 7050 $rename1\001 4 0 -1 0 0 18 12 0.0000 4 165 735 750 6600 $delete1\001 4 0 -1 0 0 18 12 0.0000 4 165 735 6075 6600 $delete2\001 4 2 -1 0 0 18 12 0.0000 4 165 885 8850 6225 $to:trees2\001 4 0 -1 0 0 18 12 0.0000 4 165 570 750 1050 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 795 2100 1050 $to:close\001 4 2 -1 0 0 18 12 0.0000 4 165 885 4590 6225 $to:trees1\001 4 0 -1 0 0 18 12 0.0000 4 165 660 5040 2625 $trees2\001 ./arbsrc_9167/lib/pictures/message.fig0000644012664100000130000000075111213220012017641 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 9135 3420 10665 3690 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 10650 3660 4 2 -1 0 0 18 12 0.0000 4 180 1410 10575 3585 $to:XY:Message\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 4 0 -1 0 0 18 12 0.0000 4 165 495 1350 1575 $Hide\001 4 0 -1 0 0 18 12 0.0000 4 180 885 1350 1950 $Message\001 4 0 -1 0 0 18 12 0.0000 4 165 570 3000 1575 $Clear\001 4 0 -1 0 0 18 12 0.0000 4 165 1095 4590 1575 $HideNClear\001 ./arbsrc_9167/lib/pictures/mp_results.fig0000644012664100000130000000402411213220012020407 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 15 15 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 8475 8235 4 0 -1 0 0 18 12 0.0000 4 135 735 300 975 Results:\001 4 0 -1 0 0 18 13 0.0000 4 195 495 300 1350 $box\001 4 0 -1 0 0 18 12 0.0000 4 135 900 1800 825 Comment:\001 4 2 -1 0 0 18 13 0.0000 4 195 1140 8325 4275 $to:XY:box\001 4 0 -1 0 0 18 12 0.0000 4 165 1365 6900 975 $to:X:Comment\001 4 0 -1 0 0 18 12 0.0000 4 180 675 7575 450 $X:Help\001 4 0 -1 0 0 18 13 0.0000 4 195 675 300 450 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 4620 375 6300 Y:Use selected multi-probe to set colors in the tree:\001 4 0 -1 0 0 18 12 0.0000 4 165 1545 6000 6900 $Y:StandardColor\001 4 0 -1 0 0 18 12 0.0000 4 135 2535 300 5100 Y:Set comments of selected\001 4 0 -1 0 0 18 12 0.0000 4 165 750 4800 5175 $Y:Good\001 4 0 -1 0 0 18 12 0.0000 4 165 795 6300 5175 $Y:Trash\001 4 0 -1 0 0 18 12 0.0000 4 135 570 300 4650 Y:List:\001 4 0 -1 0 0 18 12 0.0000 4 135 1065 5025 4650 Y:Selection:\001 4 0 -1 0 0 18 12 0.0000 4 135 1665 375 6825 Y:reset tree colors\001 4 0 -1 0 0 18 12 0.0000 4 165 1140 6600 4725 $Y:DeleteSel\001 4 0 -1 0 0 18 12 0.0000 4 165 705 900 4725 $Y:Load\001 4 0 -1 0 0 18 12 0.0000 4 165 750 1950 4725 $Y:Save\001 4 0 -1 0 0 18 12 0.0000 4 165 1065 3000 4725 $Y:DeleteAll\001 4 0 -1 0 0 18 12 0.0000 4 180 1035 6000 7920 $Y:GroupAll\001 4 0 -1 0 0 18 12 0.0000 4 180 2355 375 7845 Y:Group all except marked\001 4 0 -1 0 0 18 12 0.0000 4 165 1140 6000 7425 $Y:MarkTree\001 4 0 -1 0 0 18 12 0.0000 4 180 5400 375 7350 Y:Use selected multi-probe to mark species hit by any probe\001 4 0 -1 0 0 18 13 0.0000 4 195 1380 5985 6375 $Y:ColorTree\001 4 0 -1 0 0 18 13 0.0000 4 210 1155 6615 6375 $Y:ct_back\001 4 0 -1 0 0 18 12 0.0000 4 165 705 3300 5175 $Y:Best\001 4 0 -1 0 0 18 12 0.0000 4 165 945 2850 810 $Comment\001 4 0 -1 0 0 18 13 0.0000 4 210 1005 7110 6375 $Y:ct_fwd\001 4 0 -1 0 0 18 12 0.0000 4 180 3045 375 5625 Y:Auto-advance after commenting\001 4 0 -1 0 0 18 12 0.0000 4 165 675 5985 5625 $Y:auto\001 ./arbsrc_9167/lib/pictures/multiprobe.fig0000644012664100000130000000740211213220012020377 0ustar arb_buildcoders#FIG 2.1 80 2 6 29 439 459 464 4 0 18 12 0 -1 0 0.00000 4 15 76 129 459 $Y:PTServer 4 0 18 12 0 -1 0 0.00000 4 15 86 29 454 Y:PT_SERVER 4 2 18 12 0 -1 0 0.00000 4 15 92 459 464 $to:Y:PTServer -6 6 29 479 459 504 4 0 18 12 0 -1 0 0.00000 4 15 91 129 499 $Y:NoOfProbes 4 0 18 12 0 -1 0 0.00000 4 15 45 29 494 Y:Build: 4 2 18 12 0 -1 0 0.00000 4 15 107 459 504 $to:Y:NoOfProbes -6 6 499 479 824 499 4 0 18 12 0 -1 0 0.00000 4 15 127 499 494 Y:Weight mismatches 4 0 18 12 0 -1 0 0.00000 4 15 144 639 499 $Y:WeightedMismatches 4 0 18 12 0 -1 0 0.00000 4 15 160 664 499 $to:Y:WeightedMismatches -6 6 499 444 734 464 4 0 18 12 0 -1 0 0.00000 4 15 124 499 459 Y:Check complement 4 0 18 12 0 -1 0 0.00000 4 15 93 639 464 $Y:Komplement 4 2 18 12 0 -1 0 0.00000 4 15 109 664 464 $to:Y:Komplement -6 6 499 514 769 539 4 0 18 12 0 -1 0 0.00000 4 15 129 499 529 Y:Max. non group hits 4 2 18 12 0 -1 0 0.00000 4 15 82 764 539 $to:Y:Border1 4 0 18 12 0 -1 0 0.00000 4 15 66 699 534 $Y:Border1 -6 6 499 549 839 574 4 0 18 12 0 -1 0 0.00000 4 15 196 499 564 Y:Min. mismatches for non group 4 0 18 12 0 -1 0 0.00000 4 15 137 699 569 $Y:OutsideMismatches 4 2 18 12 0 -1 0 0.00000 4 15 153 764 574 $to:Y:OutsideMismatches -6 6 499 584 774 614 4 0 18 12 0 -1 0 0.00000 4 15 76 694 614 $Y:Greyzone 4 2 18 12 0 -1 0 0.00000 4 15 92 764 614 $to:Y:Greyzone 4 0 18 12 0 -1 0 0.00000 4 15 175 499 599 Y:Max mismatches for group -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 969 639 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 19 4 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 59 29 84 $Probelist 4 0 18 12 0 -1 0 0.00000 4 15 38 29 344 Y:List: 4 0 18 12 0 -1 0 0.00000 4 15 88 74 349 $Y:LoadProbes 4 0 18 12 0 -1 0 0.00000 4 15 91 134 349 $Y:SaveProbes 4 0 18 12 0 -1 0 0.00000 4 15 84 194 349 $Y:DeleteAllPr 4 0 18 12 0 -1 0 0.00000 4 15 71 279 344 Y:Selection: 4 0 18 12 0 -1 0 0.00000 4 15 70 359 349 $Y:DeletePr 4 0 18 12 0 -1 0 0.00000 4 15 87 439 319 $to:Y:Probelist 4 0 18 12 0 -1 0 0.00000 4 15 268 29 54 Clipboard of probes (not used by algorithm) 4 0 18 12 0 -1 0 0.00000 4 15 62 449 154 $LeftRight 4 0 18 12 0 -1 0 0.00000 4 15 62 449 189 $RightLeft 4 0 18 12 0 -1 0 0.00000 4 15 52 449 224 $AllRight 4 0 18 12 0 -1 0 0.00000 4 15 78 489 169 $to:LeftRight 4 0 18 12 0 -1 0 0.00000 4 15 78 489 204 $to:RightLeft 4 0 18 12 0 -1 0 0.00000 4 15 68 489 239 $to:AllRight 4 0 18 12 0 -1 0 0.00000 4 15 38 499 344 Y:List: 4 0 18 12 0 -1 0 0.00000 4 15 107 544 349 $Y:LoadSelProbes 4 0 18 12 0 -1 0 0.00000 4 15 110 609 349 $Y:SaveSelProbes 4 0 18 12 0 -1 0 0.00000 4 15 71 759 344 Y:Selection: 4 0 18 12 0 -1 0 0.00000 4 15 99 499 84 $Selectedprobes 4 0 18 12 0 -1 0 0.00000 4 15 103 674 349 $Y:DeleteAllSelPr 4 0 18 12 0 -1 0 0.00000 4 15 76 834 349 $Y:DeleteSel 4 0 18 12 0 -1 0 0.00000 4 15 331 499 54 Probes (target sequence) used as input for multi-probe 4 0 18 12 0 -1 0 0.00000 4 15 88 499 404 Add new probe 4 0 18 12 0 -1 0 0.00000 4 15 226 499 374 Y:Set priority of selected sequence to 4 0 18 12 0 -1 0 0.00000 4 15 62 729 384 $Y:Quality 4 2 18 12 0 -1 0 0.00000 4 15 78 929 384 $to:Y:Quality 4 0 18 12 0 -1 0 0.00000 4 15 135 959 319 $to:XY:Selectedprobes 4 0 18 12 0 -1 0 0.00000 4 15 46 599 409 $Y:New 4 2 18 12 0 -1 0 0.00000 4 15 60 664 409 $to:Y:new 4 0 18 12 0 -1 0 0.00000 4 15 59 934 34 $to:X:help 4 0 18 12 0 -1 0 0.00000 4 15 43 884 29 $X:help 4 0 18 12 0 -1 0 0.00000 4 15 114 724 254 $Y:Sequenzeingabe 4 2 18 12 0 -1 0 0.00000 4 15 130 884 249 $to:Y:Sequenzeingabe 4 0 18 12 0 -1 0 0.00000 4 15 64 159 614 $Y:Results 4 0 18 12 0 -1 0 0.00000 4 15 38 29 29 $close 4 0 18 12 0 -1 0 0.00000 4 15 71 29 614 $Y:Compute 4 0 18 12 0 -1 0 0.00000 4 15 1006 29 424 Y:___Parameters for MULTI-PROBE ________________________________________________________________________________________________________________ ./arbsrc_9167/lib/pictures/nt_selection.fig0000644012664100000130000000157111213220012020704 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7335 5400 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 630 540 4 0 -1 0 0 18 14 0.0000 4 195 435 900 1875 $list\001 4 0 -1 0 0 18 13 0.0000 4 180 600 825 975 $close\001 4 1 -1 0 0 18 14 0.0000 4 150 1080 1500 1425 Selections\001 4 2 -1 0 0 18 12 0.0000 4 180 465 6975 975 $help\001 4 2 -1 0 0 18 14 0.0000 4 195 720 5520 5130 $to:list\001 4 1 -1 0 0 18 13 0.0000 4 180 720 6435 2190 $extract\001 4 1 -1 0 0 18 13 0.0000 4 180 570 6435 2565 $mark\001 4 1 -1 0 0 18 13 0.0000 4 180 810 6435 2970 $unmark\001 4 1 -1 0 0 18 13 0.0000 4 180 630 6435 3375 $invert\001 4 1 -1 0 0 18 13 0.0000 4 180 570 6435 1800 $store\001 4 1 -1 0 0 18 13 0.0000 4 180 660 6435 4155 $delete\001 4 1 -1 0 0 18 13 0.0000 4 180 795 6435 4530 $rename\001 4 1 -1 0 0 18 13 0.0000 4 180 915 6435 3750 $combine\001 ./arbsrc_9167/lib/pictures/nt_sort.fig0000644012664100000130000000132311213220012017701 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 59 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 359 479 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 74 69 $close 4 0 18 12 0 -1 0 0.00000 4 15 99 74 99 Primary Sort Key 4 0 18 12 0 -1 0 0.00000 4 15 115 74 219 Secondary Sort Key 4 0 18 12 0 -1 0 0.00000 4 15 78 74 339 Last Sort Key 4 0 18 12 0 -1 0 0.00000 4 15 35 69 124 $key1 4 0 18 12 0 -1 0 0.00000 4 15 35 69 244 $key2 4 0 18 12 0 -1 0 0.00000 4 15 35 69 364 $key3 4 0 18 12 0 -1 0 0.00000 4 15 21 69 464 $go 4 2 0 12 0 -1 0 0.00000 4 16 26 344 69 $help 4 2 18 12 0 -1 0 0.00000 4 15 62 349 194 $to:X:key1 4 2 18 12 0 -1 0 0.00000 4 15 62 349 314 $to:X:key2 4 2 18 12 0 -1 0 0.00000 4 15 62 349 434 $to:X:key3 ./arbsrc_9167/lib/pictures/optimize.fig0000644012664100000130000000075511213220012020061 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 79 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 359 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 37 94 159 $trees 4 0 18 12 0 -1 0 0.00000 4 15 236 99 134 Select a tree, which covers all sequences 4 0 18 12 0 -1 0 0.00000 4 15 38 94 109 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 384 109 $help 4 0 18 12 0 -1 0 0.00000 4 15 33 94 344 $Y:go 4 2 18 12 0 -1 0 0.00000 4 15 48 164 344 $to:Y:go 4 2 18 12 0 -1 0 0.00000 4 15 72 384 314 $to:XY:trees ./arbsrc_9167/lib/pictures/pars/init.fig0000644012664100000130000000207111213220012020122 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 529 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 39 94 489 $ptype 4 0 18 12 0 -1 0 0.00000 4 15 38 89 69 $close 4 0 18 12 0 -1 0 0.00000 4 15 43 319 69 $X:help 4 2 18 12 0 -1 0 0.00000 4 15 58 384 69 $to:X:help 4 0 18 12 0 -1 0 0.00000 4 15 75 94 334 $Y:alignment 4 2 18 12 0 -1 0 0.00000 4 15 98 389 399 $to:XY:alignment 4 2 18 12 0 -1 0 0.00000 4 15 68 389 429 $to:XY:filter 4 2 18 12 0 -1 0 0.00000 4 15 86 389 454 $to:XY:weights 4 0 18 12 0 -1 0 0.00000 4 15 33 94 509 $Y:go 4 2 18 12 0 -1 0 0.00000 4 15 48 169 509 $to:Y:go 4 0 18 12 0 -1 0 0.00000 4 15 45 199 424 $Y:filter 4 0 18 12 0 -1 0 0.00000 4 15 63 199 454 $Y:weights 4 0 18 12 0 -1 0 0.00000 4 15 42 99 419 Y:Filter 4 0 18 12 0 -1 0 0.00000 4 15 58 99 449 Y:Weights 4 0 18 12 0 -1 0 0.00000 4 15 181 89 99 Select Tree to Add Species To 4 2 18 12 0 -1 0 0.00000 4 15 65 379 284 $to:XY:tree 4 0 18 12 0 -1 0 0.00000 4 15 173 89 314 Y:Select an Alignment to Use 4 0 18 12 0 -1 0 0.00000 4 15 30 94 124 $tree ./arbsrc_9167/lib/pictures/pars/kernlin.fig0000644012664100000130000001063411440743000020636 0ustar arb_buildcoders#FIG 2.1 80 2 6 194 379 474 419 4 0 18 12 0 -1 0 0.00000 4 12 50 194 419 $input_6 4 0 18 12 0 -1 0 0.00000 4 12 50 249 419 $input_7 4 0 18 12 0 -1 0 0.00000 4 12 50 304 419 $input_8 4 0 18 12 0 -1 0 0.00000 4 12 50 359 419 $input_9 4 0 18 12 0 -1 0 0.00000 4 12 57 414 419 $input_10 4 0 18 10 0 -1 0 0.00000 4 12 6 209 394 0 4 0 18 10 0 -1 0 0.00000 4 12 6 264 394 1 4 0 18 10 0 -1 0 0.00000 4 12 6 319 394 2 4 0 18 10 0 -1 0 0.00000 4 12 6 374 394 3 4 0 18 10 0 -1 0 0.00000 4 12 6 429 394 4 -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 159 139 319 139 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 499 119 599 399 599 389 589 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 599 389 609 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 499 129 509 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 499 109 509 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 159 599 159 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 199 599 199 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 599 239 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 279 599 279 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 319 599 319 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 559 124 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 579 124 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 539 124 539 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 579 144 563 176 549 208 541 246 539 271 542 309 551 329 560 343 568 356 577 364 583 375 593 386 603 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 579 99 599 99 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 599 104 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 599 94 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 579 104 584 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 579 94 584 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 539 239 599 244 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 599 234 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 539 244 544 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 539 234 544 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 574 274 614 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 589 239 589 234 584 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 589 234 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 589 124 584 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 589 124 594 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 179 614 224 589 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 84 614 94 589 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 579 119 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 599 99 599 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 284 544 324 534 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 159 274 319 274 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 674 479 39 39 39 39 674 479 674 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 42 399 179 $nodes 4 0 18 10 0 -1 0 0.00000 4 12 6 119 614 0 4 2 18 12 0 -1 0 0.00000 4 15 47 239 69 $reopen 4 0 18 12 0 -1 0 0.00000 4 11 38 49 69 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 459 69 $help 4 0 18 12 0 -1 0 0.00000 4 15 91 54 214 Maximum depth 4 0 18 12 0 -1 0 0.00000 4 15 64 399 219 $maxdepth 4 0 18 12 0 -1 0 0.00000 4 15 56 399 259 $incdepth 4 0 18 12 0 -1 0 0.00000 4 15 39 239 384 $static 4 0 18 12 0 -1 0 0.00000 4 15 298 54 174 Number of randomly chosen nodes from the subtree 4 0 18 12 0 -1 0 0.00000 4 15 166 54 379 Enable static path reduction: 4 0 18 12 0 -1 0 0.00000 4 15 119 69 414 Pathes in each depth 4 0 18 12 0 -1 0 0.00000 4 15 84 69 529 Relative Costs 4 0 18 12 0 -1 0 0.00000 4 15 34 364 624 Depth 4 0 18 12 0 -1 0 0.00000 4 15 56 239 489 $dynamic 4 0 0 10 0 -1 0 0.00000 4 12 64 239 629 maximum costs 4 0 18 10 0 -1 0 0.00000 4 12 33 244 659 $maxy 4 0 18 10 0 -1 0 0.00000 4 12 33 159 659 $maxx 4 0 0 10 0 -1 0 0.00000 4 12 40 74 629 start costs 4 0 18 10 0 -1 0 0.00000 4 12 28 74 659 $start 4 0 18 10 0 -1 0 0.00000 4 12 274 69 309 Each recursion step multiplies the number of paths by 8 4 0 18 10 0 -1 0 0.00000 4 12 337 69 324 (e.g. depth = 8 -> ~16 million paths -> two heuristic path reductions) 4 0 18 10 0 -1 0 0.00000 4 12 257 69 189 ( 0.0 == no nodes, 1.0 all nodes, 2.0 all nodes twice) 4 0 18 12 0 -1 0 0.00000 4 15 180 54 484 Enable dynamic path reduction: 4 0 0 10 0 -1 0 0.00000 4 12 101 339 533 get's worse than this line 4 0 0 10 0 -1 0 0.00000 4 12 85 339 519 Stop recursion if tree 4 1 18 12 0 -1 0 0.00000 4 15 271 239 119 K.L. is a heuristic approach to find the best tree 4 0 18 12 0 -1 0 0.00000 4 15 236 54 254 If a better tree is found, increase depth by 4 0 0 10 0 -1 0 0.00000 4 12 80 144 629 Worst trees at depth ./arbsrc_9167/lib/pictures/pd_admin.fig0000644012664100000130000000244111213220012017766 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 8865 5265 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 675 675 4 0 -1 0 0 18 12 0.0000 4 165 570 825 1050 $close\001 4 2 -1 0 0 18 12 0.0000 4 180 465 8775 1050 $help\001 4 2 -1 0 0 18 12 0.0000 4 180 1470 6150 5250 $to:XY:pt_server\001 4 0 -1 0 0 18 12 0.0000 4 180 945 825 1950 $pt_server\001 4 0 -1 0 0 18 12 0.0000 4 165 690 6600 1950 $X:start\001 4 0 -1 0 0 18 12 0.0000 4 165 525 6600 2400 $X:kill\001 4 2 -1 0 0 18 12 0.0000 4 165 915 8700 1950 $to:X:start\001 4 2 -1 0 0 18 12 0.0000 4 165 750 8700 2400 $to:X:kill\001 4 0 -1 0 0 18 12 0.0000 4 180 840 6600 4110 $X:export\001 4 2 -1 0 0 18 12 0.0000 4 180 1065 8700 4110 $to:X:export\001 4 0 -1 0 0 18 12 0.0000 4 180 780 6600 2805 $X:query\001 4 0 -1 0 0 18 12 0.0000 4 165 825 6600 3255 $X:kill_all\001 4 0 -1 0 0 18 12 0.0000 4 165 600 6600 3705 $X:edit\001 4 2 -1 0 0 18 12 0.0000 4 180 1005 8700 2805 $to:X:query\001 4 2 -1 0 0 18 12 0.0000 4 165 1050 8700 3255 $to:X:kill_all\001 4 2 -1 0 0 18 12 0.0000 4 165 825 8700 3705 $to:X:edit\001 4 0 -1 0 0 18 12 0.0000 4 180 2610 810 1500 Select a PT_SERVER template\001 4 1 -1 0 0 18 12 0.0000 4 165 1650 4725 1050 PT_SERVER admin\001 4 0 1 0 0 18 12 0.0000 4 180 1380 6615 4545 $X:gene_server\001 ./arbsrc_9167/lib/pictures/pd_main.fig0000644012664100000130000000473111440743000017637 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1710 3150 5580 5355 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 5550 5325 5550 3150 1725 3150 1725 5325 5550 5325 4 2 -1 0 0 0 16 0.0000 4 195 705 5475 3600 $lenout\001 4 2 -1 0 0 0 16 0.0000 4 195 690 5475 4125 $mishit\001 4 2 -1 0 0 0 16 0.0000 4 195 1095 5475 4650 $maxbonds\001 4 2 -1 0 0 2 16 0.0000 4 210 870 5475 5175 $minhits\001 4 0 -1 0 0 18 12 0.0000 4 180 1380 1875 3525 Length of output\001 4 0 -1 0 0 18 12 0.0000 4 180 1665 1875 4050 Max. non group hits\001 4 0 -1 0 0 18 12 0.0000 4 180 1605 1875 4575 Max. hairpin bonds\001 4 0 -1 0 0 18 12 0.0000 4 180 1530 1875 5100 Min group hits (%)\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9300 5325 9300 3150 5775 3150 5775 5325 9300 5325 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 7 0 0 2 750 5475 9450 5475 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 720 1890 9450 1890 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9600 6300 9600 600 600 600 600 6300 9600 6300 4 0 -1 0 0 0 18 0.0000 4 225 690 750 1050 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 1710 765 3000 Design parameters:\001 4 0 -1 0 0 0 16 0.0000 4 195 765 7500 3600 $minlen\001 4 0 -1 0 0 0 16 0.0000 4 195 540 7500 4125 $mint\001 4 0 -1 0 0 0 16 0.0000 4 240 705 7500 4650 $mingc\001 4 0 -1 0 0 0 16 0.0000 4 225 810 7500 5175 $minpos\001 4 0 -1 0 0 18 12 0.0000 4 180 1110 5925 4050 Temperature\001 4 0 -1 0 0 0 16 0.0000 4 195 810 8400 3600 $maxlen\001 4 0 -1 0 0 0 16 0.0000 4 195 585 8400 4125 $maxt\001 4 0 -1 0 0 0 16 0.0000 4 240 750 8400 4650 $maxgc\001 4 0 -1 0 0 0 16 0.0000 4 225 855 8400 5175 $maxpos\001 4 0 -1 0 0 18 12 0.0000 4 135 330 7575 3075 MIN\001 4 0 -1 0 0 18 12 0.0000 4 135 405 8250 3075 MAX\001 4 0 -1 0 0 18 12 0.0000 4 180 1335 5925 3525 Length of probe\001 4 0 -1 0 0 18 12 0.0000 4 180 1275 5925 5100 ECOLI-position\001 4 0 -1 0 0 18 12 0.0000 4 135 1080 5925 4575 G+C-content\001 4 0 -1 0 0 18 12 0.0000 4 180 675 765 6075 $design\001 4 1 -1 0 0 18 12 0.0000 4 180 5670 5325 1440 This module searches for specific oligo-nucleotides in the database. \001 4 1 -1 0 0 18 12 0.0000 4 180 7185 5325 1710 Note: The PT_SERVER's (not the current) database is used searching probe targets!\001 4 0 -1 0 0 18 12 0.0000 4 180 465 2250 1050 $help\001 4 2 -1 0 0 18 12 0.0000 4 180 660 9450 6075 $expert\001 4 2 -1 0 0 18 12 0.0000 4 180 525 9450 2475 $gene\001 4 2 -1 0 0 18 12 0.0000 4 165 525 9450 1035 $save\001 4 0 -1 0 0 18 12 0.0000 4 180 945 765 2475 $pt_server\001 4 0 -1 0 0 18 12 0.0000 4 165 600 2250 6075 $result\001 ./arbsrc_9167/lib/pictures/pd_match.fig0000644012664100000130000000466611213220012020005 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 855 2790 6705 3555 6 855 3285 6705 3555 4 2 -1 0 0 18 12 0.0000 4 180 900 6705 3525 $mismatches\001 4 0 -1 0 0 18 12 0.0000 4 165 915 855 3450 Search depth\001 -6 6 855 2790 6705 3060 4 2 -1 0 0 18 12 0.0000 4 180 705 6705 3000 $pt_server\001 4 0 -1 0 0 18 12 0.0000 4 150 900 855 2925 PT_SERVER\001 -6 -6 6 810 4050 3060 4320 4 0 -1 0 0 18 12 0.0000 4 150 1095 810 4215 Number of Hits:\001 4 0 -1 0 0 18 12 0.0000 4 180 420 2610 4290 $nhits\001 -6 6 8685 1215 11700 1485 4 0 -1 0 0 18 12 0.0000 4 180 1800 8700 1350 Use weighted mismatches\001 4 2 -1 0 0 18 12 0.0000 4 180 345 11700 1425 $weighted\001 -6 6 8685 2025 11700 3060 6 8685 2025 11700 2295 4 0 -1 0 0 18 12 0.0000 4 165 1470 8700 2175 Check rev.compl. too\001 4 2 -1 0 0 18 12 0.0000 4 180 930 11700 2250 $complement\001 -6 6 8685 2385 11700 2655 4 0 -1 0 0 18 12 0.0000 4 150 1155 8700 2550 Mark in database\001 4 2 -1 0 0 18 12 0.0000 4 180 420 11700 2625 $mark\001 -6 6 8685 2790 11700 3060 4 0 -1 0 0 18 12 0.0000 4 165 1740 8700 2925 Write Result to field 'tmp'\001 4 2 -1 0 0 18 12 0.0000 4 180 345 11700 3000 $tmp\001 -6 -6 6 2205 1215 6705 1665 4 0 -1 0 0 18 12 0.0000 4 195 480 2205 1395 $string\001 4 2 -1 0 0 18 12 0.0000 4 195 660 6705 1620 $to:string\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 540 375 2 1 0 2 12 -1 0 0 -1 0.000 0 0 -1 0 0 2 720 975 11610 975 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 11700 8265 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 8505 1215 8505 3645 2 1 0 2 1 -1 0 0 -1 0.000 0 0 -1 0 0 2 720 3825 11610 3825 2 1 0 2 4 -1 0 0 -1 0.000 0 0 -1 0 0 2 990 2565 8280 2565 4 0 -1 0 0 18 12 0.0000 4 180 915 855 1350 Target String\001 4 0 -1 0 0 18 12 0.0000 4 180 435 855 825 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 465 780 4665 $result\001 4 0 -1 0 0 18 12 0.0000 4 180 405 5715 4230 $print\001 4 2 -1 0 0 18 12 0.0000 4 180 375 11295 825 $help\001 4 2 -1 0 0 18 12 0.0000 4 180 900 11550 8115 $to:XY:result\001 4 0 -1 0 0 18 12 0.0000 4 180 495 9855 1755 $expert\001 4 0 -1 0 0 18 12 0.0000 4 180 495 6975 1440 $match\001 4 0 -1 0 0 18 12 0.0000 4 180 375 6975 1800 $auto\001 4 0 -1 0 0 18 12 0.0000 4 180 450 2205 2340 $iupac\001 4 0 -1 0 0 18 12 0.0000 4 195 555 3510 2340 $history\001 4 0 -1 0 0 18 12 0.0000 4 180 405 2205 1890 $clear\001 4 0 -1 0 0 18 12 0.0000 4 180 720 3510 1890 $revcompl\001 4 0 -1 0 0 18 12 0.0000 4 180 510 4815 1890 $compl\001 4 0 -1 0 0 18 12 0.0000 4 180 720 7155 4230 $matchSai\001 ./arbsrc_9167/lib/pictures/pd_match_iupac.fig0000644012664100000130000000117011213220012021151 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 375 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 675 975 6600 975 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6750 4860 4 0 -1 0 0 18 12 0.0000 4 165 570 750 825 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 645 750 1950 $iresult\001 4 2 -1 0 0 18 12 0.0000 4 180 645 6300 1425 $istring\001 4 0 -1 0 0 18 12 0.0000 4 135 1380 750 1350 Resolve IUPAC:\001 4 2 -1 0 0 18 12 0.0000 4 180 465 6300 825 $help\001 4 2 -1 0 0 18 12 0.0000 4 165 1050 6600 4170 $to:Y:iresult\001 4 0 -1 0 0 18 12 0.0000 4 165 1125 750 4620 $Y:match_all\001 ./arbsrc_9167/lib/pictures/pd_reslt.fig0000644012664100000130000000114611213220012020030 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 600 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 14700 6000 4 0 -1 0 0 18 16 0.0000 4 135 540 750 1050 $close\001 4 0 -1 0 0 18 16 0.0000 4 165 540 3600 1050 $print\001 4 0 -1 0 0 18 16 0.0000 4 135 450 2175 1050 $save\001 4 0 -1 0 0 18 12 0.0000 4 165 450 8400 1050 $help\001 4 0 -1 0 0 18 16 0.0000 4 135 630 750 1575 $result\001 4 2 -1 0 0 18 12 0.0000 4 150 1170 14625 5925 $to:XY:result\001 4 0 -1 0 0 18 16 0.0000 4 135 540 4950 1050 $match\001 4 0 -1 0 0 18 16 0.0000 4 135 450 6480 1050 $auto\001 ./arbsrc_9167/lib/pictures/pd_spec.fig0000644012664100000130000000364611213220012017640 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 489 359 489 159 159 159 159 359 489 359 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 639 519 639 39 39 39 39 519 639 519 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 54 69 $close 4 0 18 12 0 -1 0 0.00000 4 15 37 194 149 Target 4 0 18 12 0 -1 0 0.00000 4 15 34 109 254 Probe 4 0 18 12 0 -1 0 0.00000 4 15 244 54 399 Experimental Parameters (Do not change): 4 0 18 12 0 -1 0 0.00000 4 15 463 79 424 Treat base pair as a mismatch when its strength is less than max strength minus: 4 0 18 12 0 -1 0 0.00000 4 15 31 554 429 $split 4 0 18 12 0 -1 0 0.00000 4 15 53 554 459 $dt_edge 4 0 18 12 0 -1 0 0.00000 4 15 18 554 484 $dt 4 0 18 12 0 -1 0 0.00000 4 15 70 79 454 Edge misval 4 0 18 12 0 -1 0 0.00000 4 15 75 79 484 single misval 4 2 18 12 0 -1 0 0.00000 4 15 31 609 69 $help 4 2 2 18 0 -1 0 0.00000 4 21 13 189 229 A 4 2 2 18 0 -1 0 0.00000 4 21 13 189 269 C 4 2 2 18 0 -1 0 0.00000 4 21 15 189 309 G 4 1 2 18 0 -1 0 0.00000 4 21 13 269 189 A 4 1 2 18 0 -1 0 0.00000 4 21 13 329 189 C 4 1 2 18 0 -1 0 0.00000 4 21 15 389 189 G 4 1 2 18 0 -1 0 0.00000 4 21 18 269 229 $0 4 1 2 18 0 -1 0 0.00000 4 21 18 269 269 $4 4 1 2 18 0 -1 0 0.00000 4 21 18 329 229 $1 4 1 2 18 0 -1 0 0.00000 4 21 18 389 229 $2 4 1 2 18 0 -1 0 0.00000 4 21 18 449 229 $3 4 1 2 18 0 -1 0 0.00000 4 21 18 329 269 $5 4 1 2 18 0 -1 0 0.00000 4 21 18 389 269 $6 4 1 2 18 0 -1 0 0.00000 4 21 18 449 269 $7 4 1 2 18 0 -1 0 0.00000 4 21 18 269 309 $8 4 1 2 18 0 -1 0 0.00000 4 21 18 329 309 $9 4 1 2 18 0 -1 0 0.00000 4 21 27 389 309 $10 4 1 2 18 0 -1 0 0.00000 4 21 27 449 309 $11 4 1 2 18 0 -1 0 0.00000 4 21 27 269 349 $12 4 1 2 18 0 -1 0 0.00000 4 21 27 329 349 $13 4 1 2 18 0 -1 0 0.00000 4 21 27 389 349 $14 4 1 2 18 0 -1 0 0.00000 4 21 27 449 349 $15 4 1 2 18 0 -1 0 0.00000 4 21 31 449 189 U/T 4 2 2 18 0 -1 0 0.00000 4 21 31 189 349 U/T 4 0 18 12 0 -1 0 0.00000 4 15 196 54 119 Relative Strength of Base Pairings ./arbsrc_9167/lib/pictures/pg_select.fig0000644012664100000130000000125111213220012020156 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3555 4770 4860 4950 4 0 -1 0 0 18 12 0.0000 4 180 495 3570 4905 $Y:go\001 4 2 -1 0 0 18 12 0.0000 4 180 735 4845 4905 $to:Y:go\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 600 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6930 5175 4 2 -1 0 0 18 12 0.0000 4 180 465 4650 1050 $help\001 4 0 -1 0 0 18 12 0.0000 4 165 570 1350 1050 $close\001 4 0 -1 0 0 18 12 0.0000 4 180 3630 1485 1575 Select group => members will be marked\001 4 2 -1 0 0 18 12 0.0000 4 165 960 6660 4410 $to:XY:box\001 4 0 -1 0 0 18 12 0.0000 4 180 1440 1350 1980 Existing results:\001 4 0 -1 0 0 18 12 0.0000 4 165 420 1350 2295 $box\001 ./arbsrc_9167/lib/pictures/phylo/cancel.fig0000644012664100000130000000173011213220012020573 0ustar arb_buildcoders#FIG 2.1 80 2 6 189 194 349 234 2 2 0 1 -1 0 0 0 0.000 0 0 0 349 234 349 199 189 199 189 234 349 234 9999 9999 4 1 14 13 0 -1 0 0.00000 4 17 136 269 214 ACGT....TYccYY--- 4 1 14 13 0 -1 0 0.00000 4 17 136 269 229 AGGCTTGAT..GTAAG- -6 6 209 44 319 79 2 1 0 1 -1 0 0 0 0.000 -1 0 0 209 69 319 69 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 219 79 304 79 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 110 264 64 Remove Columns -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 219 149 249 194 249 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 249 194 234 194 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 354 284 354 39 74 39 74 284 354 284 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 34 79 119 If any 4 0 18 13 0 -1 0 0.00000 4 17 91 79 224 cancel column 4 0 18 13 0 -1 0 0.00000 4 17 214 79 149 occur in any of the two Sequences 4 1 18 13 0 -1 0 0.00000 4 17 47 214 124 $cancel 4 0 18 13 0 -1 0 0.00000 4 17 40 89 69 $close 4 0 18 13 0 -1 0 0.00000 4 17 239 79 279 (Warning: Uppercase = Lowercase !!!!) ./arbsrc_9167/lib/pictures/phylo/filter.fig0000644012664100000130000000201111213220012020624 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 8190 2835 9225 4815 4 2 -1 0 0 18 13 0.0000 4 165 990 9210 3570 $minus_opts\001 4 2 -1 0 0 18 13 0.0000 4 165 900 9210 4170 $rest_opts\001 4 2 -1 0 0 18 13 0.0000 4 165 990 9210 4770 $lower_opts\001 4 2 -1 0 0 18 13 0.0000 4 165 990 9210 2970 $point_opts\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9585 5130 9585 300 765 300 765 5130 9585 5130 4 0 -1 0 0 18 13 0.0000 4 135 540 975 750 $close\001 4 0 -1 0 0 18 13 0.0000 4 165 1710 5100 1785 Maximal similarity:\001 4 0 -1 0 0 18 13 0.0000 4 165 1350 5400 1260 Stop at column:\001 4 0 -1 0 0 18 13 0.0000 4 150 1440 1200 1260 Start at column:\001 4 0 -1 0 0 18 13 0.0000 4 135 810 3000 1350 $startcol\001 4 0 -1 0 0 18 13 0.0000 4 165 720 7200 1350 $stopcol\001 4 0 -1 0 0 18 13 0.0000 4 135 630 3000 1875 $minhom\001 4 0 -1 0 0 18 13 0.0000 4 135 630 7200 1875 $maxhom\001 4 0 -1 0 0 18 13 0.0000 4 165 1710 975 2295 Special characters:\001 4 0 -1 0 0 18 13 0.0000 4 165 1710 975 1785 Minimal similarity:\001 ./arbsrc_9167/lib/pictures/phylo/matrix.fig0000644012664100000130000000130611213220012020651 0ustar arb_buildcoders#FIG 2.1 80 2 6 539 159 619 299 4 2 18 13 0 -1 0 0.00000 4 17 80 619 219 $minus_opts 4 2 18 13 0 -1 0 0.00000 4 17 64 619 259 $rest_opts 4 2 18 13 0 -1 0 0.00000 4 17 75 619 299 $lower_opts 4 2 18 13 0 -1 0 0.00000 4 17 73 619 179 $point_opts -6 6 59 159 169 299 4 2 18 13 0 -1 0 0.00000 4 17 94 169 259 rest in column: 4 2 18 13 0 -1 0 0.00000 4 17 113 169 299 'acgtu' in column: 4 2 18 13 0 -1 0 0.00000 4 17 87 169 219 '-' in column: 4 2 18 13 0 -1 0 0.00000 4 17 83 169 179 '.' in column: -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 639 319 639 99 39 99 39 319 639 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 639 319 639 319 639 319 639 319 639 319 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 139 $close ./arbsrc_9167/lib/pictures/phylo/save_markerline.fig0000644012664100000130000000115611213220012022517 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 559 519 559 39 79 39 79 519 559 519 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 94 69 $close 4 1 18 12 0 -1 0 0.00000 4 15 35 319 499 $save 4 2 18 12 0 -1 0 0.00000 4 15 31 544 69 $help 4 1 18 12 0 -1 0 0.00000 4 15 154 319 69 Put new filter into database 4 0 18 12 0 -1 0 0.00000 4 15 77 94 104 Name of filter 4 0 18 12 0 -1 0 0.00000 4 15 39 94 129 $name 4 2 18 12 0 -1 0 0.00000 4 15 54 534 129 $to:name 4 0 18 12 0 -1 0 0.00000 4 15 143 94 169 Existing names (of SAI's) 4 0 18 12 0 -1 0 0.00000 4 15 28 94 199 $box 4 2 18 12 0 -1 0 0.00000 4 15 43 549 469 $to:box ./arbsrc_9167/lib/pictures/phylo/select_ali.fig0000644012664100000130000000051111213220012021446 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 359 359 359 59 79 59 79 359 359 359 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 38 119 99 $done 4 0 18 13 0 -1 0 0.00000 4 15 150 119 139 please select alignment: 4 0 18 13 0 -1 0 0.00000 4 15 113 119 175 $which_alignment 4 2 18 13 0 -1 0 0.00000 4 14 114 344 344 $to:which_alignment ./arbsrc_9167/lib/pictures/prd_main.fig0000644012664100000130000000755311213220012020015 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1755 1215 8280 1620 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 7 0 0 2 1785 1575 8235 1575 4 1 -1 0 0 18 12 0.0000 4 180 6465 5010 1380 This module searches for specific PCR-primers in the current sequence. \001 -6 6 720 8280 3105 8460 4 0 0 50 0 16 12 0.0000 4 150 555 2520 8415 $result\001 4 0 0 50 0 16 12 0.0000 4 180 660 720 8415 $design\001 -6 6 2340 4500 5805 5220 4 0 -1 0 0 18 12 0.0000 4 135 840 2340 4635 G+C ratio\001 4 0 -1 0 0 18 12 0.0000 4 180 1095 2340 5085 temperature\001 4 0 0 50 0 16 12 0.0000 4 180 600 3960 4725 $mingc\001 4 0 0 50 0 16 12 0.0000 4 180 780 3960 5175 $mintemp\001 4 0 0 50 0 16 12 0.0000 4 180 645 4950 4725 $maxgc\001 4 0 0 50 0 16 12 0.0000 4 180 825 4950 5175 $maxtemp\001 -6 6 2340 3060 5670 4140 6 4005 3060 5400 3195 4 0 -1 0 0 18 12 0.0000 4 135 360 4005 3195 MIN\001 4 0 -1 0 0 18 12 0.0000 4 135 405 4995 3195 MAX\001 -6 6 2340 3420 5670 4140 4 0 -1 0 0 18 12 0.0000 4 180 1170 2340 3555 primer length\001 4 0 -1 0 0 18 12 0.0000 4 180 1380 2340 4005 primer distance\001 4 0 0 50 0 16 12 0.0000 4 150 675 3960 4095 $mindist\001 4 0 0 50 0 16 12 0.0000 4 150 720 4950 4095 $maxdist\001 4 0 0 50 0 16 12 0.0000 4 150 690 4950 3645 $maxlen\001 4 0 0 50 0 16 12 0.0000 4 150 645 3960 3645 $minlen\001 -6 -6 6 2340 2160 5760 2880 4 0 -1 0 0 18 12 0.0000 4 180 1155 2340 2745 right position\001 4 0 -1 0 0 18 12 0.0000 4 180 1050 2340 2295 left position\001 4 0 0 50 0 16 12 0.0000 4 180 750 3960 2835 $minright\001 4 0 -1 0 0 16 12 0.0000 4 150 630 3960 2385 $minleft\001 4 0 -1 0 0 16 12 0.0000 4 150 675 4950 2385 $maxleft\001 4 0 0 50 0 16 12 0.0000 4 180 795 4950 2835 $maxright\001 -6 6 4005 1800 6840 1935 4 0 -1 0 0 18 12 0.0000 4 135 630 4005 1935 START\001 4 0 -1 0 0 18 12 0.0000 4 135 1845 4995 1935 NUMBER OF BASES\001 -6 6 7020 3060 7470 3600 4 0 0 50 0 16 12 0.0000 4 150 450 7020 3555 $init2\001 4 0 0 50 0 16 12 0.0000 4 150 450 7020 3195 $init1\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 9135 8685 9135 600 585 600 585 8685 9135 8685 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 7 0 0 2 720 7875 9000 7875 2 1 0 1 0 7 50 0 -1 0.000 0 0 7 0 0 2 720 4260 9000 4260 2 1 0 1 0 7 50 0 -1 0.000 0 0 7 0 0 2 720 5340 9000 5340 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 8865 3735 8865 2025 6345 2025 6345 3735 8865 3735 4 0 0 50 0 16 12 0.0000 4 150 555 720 1035 $close\001 4 2 0 50 0 16 12 0.0000 4 180 465 9000 1035 $help\001 4 2 0 50 0 16 10 0.0000 4 150 2355 9045 8595 written by Wolfram Foerster 2001\001 4 0 0 50 0 18 12 0.0000 4 180 870 6345 4005 0 = ignore\001 4 2 -1 0 0 18 12 0.0000 4 180 2940 3780 5715 min. dist to next match of primer\001 4 2 -1 0 0 18 12 0.0000 4 180 1830 3780 6165 expand IUPAC codes\001 4 2 -1 0 0 18 12 0.0000 4 135 2070 3780 6615 max. number of results\001 4 2 -1 0 0 18 12 0.0000 4 135 1110 3780 7065 G+C - factor\001 4 2 -1 0 0 18 12 0.0000 4 180 1695 3780 7515 temperature factor\001 4 0 -1 0 0 18 12 0.0000 4 180 1860 5130 5715 <= 0 : singular match\001 4 0 0 50 0 16 12 0.0000 4 180 1065 3960 7605 $temp_factor\001 4 0 0 50 0 16 12 0.0000 4 165 945 3960 7155 $GC_factor\001 4 0 0 50 0 16 12 0.0000 4 180 945 3960 6705 $max_pairs\001 4 0 0 50 0 16 12 0.0000 4 180 1380 3960 6255 $expand_IUPAC\001 4 0 0 50 0 16 12 0.0000 4 165 1350 3960 5805 $allowed_match\001 4 0 0 50 0 16 35 0.0000 4 210 75 5850 7380 }\001 4 0 -1 0 0 18 12 0.0000 4 135 660 5130 7515 0 .. 100\001 4 0 -1 0 0 18 12 0.0000 4 135 660 5130 7065 0 .. 100\001 4 0 0 50 0 18 12 0.0000 4 180 1830 6030 7290 G+C + temp = 100\001 4 0 0 50 0 16 12 0.0000 4 180 1050 7425 8280 $aprox_mem\001 4 0 0 50 0 18 12 0.0000 4 180 2490 4815 8190 estimated memory needed :\001 4 1 0 50 0 18 12 0.0000 4 135 2055 7605 2565 with reasonable values\001 4 1 0 50 0 18 12 0.0000 4 180 2250 7605 2340 fill positions and distance\001 4 1 0 50 0 18 12 0.0000 4 135 1650 7605 2790 from the current ..\001 4 0 0 50 0 0 12 0.0000 4 195 555 3780 8325 $config\001 ./arbsrc_9167/lib/pictures/probeSaiColors.fig0000644012664100000130000000315611213220012021145 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 2565 1530 3465 5130 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 1710 $range0\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 2070 $range1\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 2430 $range2\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 2790 $range3\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 3150 $range4\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 3555 $range5\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 3915 $range6\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 4320 $range7\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 4725 $range8\001 4 1 -1 0 0 18 13 0.0000 4 210 840 3015 5085 $range9\001 -6 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 4500 5715 4500 720 630 720 630 5715 4500 5715 4 0 -1 0 0 2 12 0.0000 4 135 825 810 1620 COLOR 0\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 1980 COLOR 1\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 2700 COLOR 3\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 3060 COLOR 4\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 3465 COLOR 5\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 3825 COLOR 6\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 4230 COLOR 7\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 4635 COLOR 8\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 2340 COLOR 2\001 4 0 -1 0 0 2 12 0.0000 4 135 825 810 4995 COLOR 9\001 4 0 -1 0 0 18 13 0.0000 4 210 900 810 5535 $dispSai\001 4 0 -1 0 0 2 12 0.0000 4 135 1230 1305 5490 DISPLAY SAI\001 4 0 -1 0 0 18 13 0.0000 4 210 765 810 1170 $config\001 4 1 -1 0 0 2 14 0.0000 4 150 2355 2745 1125 Color Translation Table \001 4 0 -1 0 0 18 13 0.0000 4 195 675 2700 5535 $close\001 4 0 -1 0 0 18 13 0.0000 4 195 960 3960 5535 $to:close\001 ./arbsrc_9167/lib/pictures/proteinViewer.fig0000644012664100000130000001434611213220012021064 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1125 1260 8100 4815 2 4 0 1 0 7 50 -1 -1 0.000 0 0 7 0 0 5 8100 4268 8100 1260 1125 1260 1125 4268 8100 4268 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 5 1125 4223 1125 4815 8100 4815 8100 4268 8100 4223 -6 6 1065 405 2625 585 4 1 -1 0 0 2 18 0.0000 4 135 1620 1845 585 P V \001 -6 6 5085 6840 7245 7020 4 0 -1 0 0 30 12 0.0000 4 135 630 6615 6975 $colors\001 4 0 -1 0 0 30 12 0.0000 4 165 720 5085 6975 $colMaps\001 -6 6 5535 5985 6885 6345 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 3 5535 6210 6885 6210 6885 6345 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 6165 5985 6165 6210 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 5535 6210 5535 6345 -6 6 1305 4455 7515 4725 6 1305 4545 2025 4725 4 0 -1 0 0 30 12 0.0000 4 135 720 1305 4710 $defined\001 -6 4 0 -1 0 0 2 14 0.0000 4 165 5760 1755 4620 Translate from database fields (codon_start & transl_table) - DB\001 -6 6 8955 1260 11565 3105 6 9720 1440 11025 1620 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 4 9720 1620 9720 1440 11025 1440 11025 1620 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 10350 1440 10350 1620 4 0 -1 0 0 30 12 0.0000 4 135 1890 9675 1800 1 2 3\001 4 0 -1 0 0 30 10 0.0000 4 135 1260 9720 1395 START POSITION\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10755 2160 $sf3\001 4 0 -1 0 0 30 12 0.0000 4 135 360 9540 2160 $sf1\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10170 2160 $sf2\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10755 2655 $sc3\001 4 0 -1 0 0 30 12 0.0000 4 135 360 9540 2655 $sc1\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10170 2655 $sc2\001 4 0 -1 0 0 2 14 0.0000 4 135 810 8955 3015 DB Fields\001 4 0 -1 0 0 2 14 0.0000 4 135 180 8955 2115 FS\001 4 0 -1 0 0 2 14 0.0000 4 135 180 8955 2610 CS\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10170 3105 $sdb\001 -6 6 8505 855 10395 1080 4 0 -1 0 0 2 14 0.0000 4 165 1440 8955 990 Selected Species\001 4 0 -1 0 0 30 12 0.0000 4 135 360 8505 1080 $sel\001 -6 6 8460 5985 10440 6165 4 0 -1 0 0 2 14 0.0000 4 165 1530 8910 6093 Species at Cursor\001 4 0 -1 0 0 30 12 0.0000 4 135 360 8460 6165 $cur\001 -6 6 8505 3600 10215 3825 4 0 -1 0 0 2 14 0.0000 4 165 1260 8955 3735 Marked Species\001 4 0 -1 0 0 30 12 0.0000 4 135 360 8505 3825 $mrk\001 -6 6 9000 4140 11160 5265 6 9585 4185 11160 4815 4 0 -1 0 0 30 12 0.0000 4 135 360 10800 4320 $mf3\001 4 0 -1 0 0 30 12 0.0000 4 135 360 9585 4320 $mf1\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10215 4320 $mf2\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10800 4815 $mc3\001 4 0 -1 0 0 30 12 0.0000 4 135 360 9585 4815 $mc1\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10215 4815 $mc2\001 -6 4 0 -1 0 0 2 14 0.0000 4 135 810 9000 5175 DB Fields\001 4 0 -1 0 0 2 14 0.0000 4 135 180 9000 4275 FS\001 4 0 -1 0 0 2 14 0.0000 4 135 180 9000 4770 CS\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10215 5265 $mdb\001 -6 6 9000 6570 11160 7650 6 9585 6613 11160 7218 4 0 -1 0 0 30 12 0.0000 4 135 360 10800 6743 $cf3\001 4 0 -1 0 0 30 12 0.0000 4 135 360 9585 6743 $cf1\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10215 6743 $cf2\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10800 7218 $cc3\001 4 0 -1 0 0 30 12 0.0000 4 135 360 9585 7218 $cc1\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10215 7218 $cc2\001 -6 4 0 -1 0 0 2 14 0.0000 4 135 810 9000 7564 DB Fields\001 4 0 -1 0 0 2 14 0.0000 4 135 180 9000 6700 FS\001 4 0 -1 0 0 2 14 0.0000 4 135 180 9000 7175 CS\001 4 0 -1 0 0 30 12 0.0000 4 135 360 10215 7650 $cdb\001 -6 6 1665 2700 6750 4140 6 5220 2700 6750 4140 6 5220 2700 6750 4140 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 6030 2880 6030 3060 4 0 -1 0 0 30 12 0.0000 4 135 1890 5355 3240 1 2 3\001 4 0 -1 0 0 30 10 0.0000 4 135 1260 5400 2835 START POSITION\001 4 0 -1 0 0 30 12 0.0000 4 135 270 6435 3600 $f3\001 4 0 -1 0 0 30 12 0.0000 4 135 270 5220 3600 $f1\001 4 0 -1 0 0 30 12 0.0000 4 135 270 5850 3600 $f2\001 4 0 -1 0 0 30 12 0.0000 4 135 270 6435 4095 $c3\001 4 0 -1 0 0 30 12 0.0000 4 135 270 5220 4095 $c1\001 4 0 -1 0 0 30 12 0.0000 4 135 270 5850 4095 $c2\001 -6 6 5400 2880 6705 3060 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 4 5400 3060 5400 2880 6705 2880 6705 3060 -6 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 3 1845 2970 1845 3960 2070 3960 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1845 3555 2070 3555 4 0 -1 0 0 2 14 0.0000 4 165 1710 2160 3600 Forward Strand (FS)\001 4 0 -1 0 0 30 12 0.0000 4 135 2700 2475 3240 5 '----------------------> 3 '\001 4 0 -1 0 0 2 14 0.0000 4 180 2250 2160 4005 Complementary Strand (CS)\001 4 0 -1 0 0 2 16 0.0000 4 165 1710 1665 2880 Translation Options\001 -6 6 810 2295 5490 2475 4 2 -1 0 0 30 12 0.0000 4 135 540 1350 2430 $table\001 4 2 -1 0 0 30 12 0.0000 4 150 810 5490 2430 $to:table\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1035 135 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1035 675 8370 675 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 4590 5670 4590 7335 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1260 5490 8010 5490 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 8370 3285 11565 3285 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 8370 5625 11565 5625 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 11610 8100 2 2 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 5 1125 4995 8100 4995 8100 7425 1125 7425 1125 4995 2 2 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 5 8370 675 11565 675 11565 8100 8370 8100 8370 675 4 0 -1 0 0 28 12 0.0000 4 165 6570 1170 900 This function translates DNA into aminoacid codes and displays them along\001 4 0 -1 0 0 28 12 0.0000 4 165 2070 1215 1125 with the DNA alignment.\001 4 1 -1 0 0 2 14 0.0000 4 135 1530 2340 585 ROTEIN IEWER \001 4 0 -1 0 0 30 12 0.0000 4 135 540 10215 540 $close\001 4 0 -1 0 0 2 14 0.0000 4 165 3510 2475 5400 Display Options For Amino Acid Sequence\001 4 0 -1 0 0 30 12 0.0000 4 165 990 1440 6030 $dispOption\001 4 0 -1 0 0 2 14 0.0000 4 165 1260 5580 5940 Color Settings\001 4 0 -1 0 0 2 14 0.0000 4 165 360 5310 6525 Maps\001 4 0 -1 0 0 2 14 0.0000 4 135 540 6705 6525 Colors\001 4 0 -1 0 0 30 12 0.0000 4 135 450 1395 7830 $save\001 4 0 -1 0 0 2 16 0.0000 4 165 4320 2385 7830 Save the selected AminoAcid sequence to Database\001 4 0 -1 0 0 30 12 0.0000 4 135 360 1350 1665 $all\001 4 0 -1 0 0 2 14 0.0000 4 165 3420 1800 1575 Display Reading Frames for all species\001 4 0 -1 0 0 2 14 0.0000 4 135 3240 2610 1980 SELECT "codon table" for Translation\001 4 2 -1 0 0 18 12 0.0000 4 165 450 10035 540 $help\001 4 0 -1 0 0 30 12 0.0000 4 135 720 7245 540 $refresh\001 ./arbsrc_9167/lib/pictures/RNA3D_ChangeMolecule.fig0000644012664100000130000000604711213220012021763 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 2295 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 990 1080 9270 1080 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 9450 630 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 9450 2160 4 1 -1 0 0 18 13 0.0000 4 135 450 1440 1890 $1vor\001 4 1 -1 0 0 18 13 0.0000 4 135 450 1440 2295 $1c2w\001 4 1 -1 0 0 18 13 0.0000 4 165 450 1440 1485 $1pnu\001 4 1 -1 0 0 2 14 0.0000 4 165 2610 3690 945 Change 3D Molecule : 23S rRNA\001 4 0 -1 0 0 18 13 0.0000 4 135 540 8595 945 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 450 1440 945 $help\001 ./arbsrc_9167/lib/pictures/RNA3D_DisplayBases.fig0000644012664100000130000001066311213220012021472 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 900 900 6885 2835 6 900 900 6885 2835 6 900 1395 4860 2835 6 900 1395 2880 1620 6 1665 1395 2880 1575 4 0 -1 0 0 2 14 0.0000 4 180 1215 1665 1530 Display Bases\001 -6 4 1 -1 0 0 18 13 0.0000 4 195 1065 1440 1575 $dispBases\001 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 3 1755 1620 1755 2700 2205 2700 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1755 2340 2205 2340 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1755 1980 2250 1980 4 1 -1 0 0 18 13 0.0000 4 180 930 2430 2790 $nonHelix\001 4 1 -1 0 0 18 13 0.0000 4 195 1170 2430 2430 $unpairHelix\001 4 0 -1 0 0 2 14 0.0000 4 180 2085 2745 2385 Unpaired Helix Region\001 4 0 -1 0 0 2 14 0.0000 4 180 1620 2745 2745 Non-Helix Region\001 4 0 -1 0 0 2 14 0.0000 4 180 1170 2745 2025 Helix Region\001 4 1 -1 0 0 18 13 0.0000 4 180 555 2430 2070 $helix\001 -6 6 4365 1395 6705 1620 4 1 -1 0 0 18 13 0.0000 4 195 1170 6120 1575 $shapesSize\001 4 0 -1 0 0 2 14 0.0000 4 180 1095 4365 1530 Display Size\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1035 1125 6885 1125 4 1 -1 0 0 2 14 0.0000 4 180 2850 2475 1035 Display Options for the BASES\001 -6 -6 6 1215 3960 6075 5040 4 0 -1 0 0 2 14 0.0000 4 180 2085 1215 4500 Unpaired Helix Region\001 4 1 -1 0 0 18 13 0.0000 4 195 1635 5220 4545 $spUnpairedHelix\001 4 1 -1 0 0 18 13 0.0000 4 195 1170 5220 4995 $spNonHelix\001 4 1 -1 0 0 18 13 0.0000 4 195 795 5220 4140 $spHelix\001 4 0 -1 0 0 2 14 0.0000 4 180 1170 2115 4095 Helix Region\001 4 0 -1 0 0 2 14 0.0000 4 180 1620 1665 4950 Non-Helix Region\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 855 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7110 585 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 6 3015 3600 1080 3600 1080 5265 7110 5265 7110 3600 3915 3600 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 5805 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7110 5760 4 1 -1 0 0 18 13 0.0000 4 180 1155 3780 3285 $basesMode\001 4 0 -1 0 0 2 14 0.0000 4 135 780 1845 3240 Bases as \001 4 0 -1 0 0 18 13 0.0000 4 180 600 6120 5715 $close\001 4 2 -1 0 0 18 12 0.0000 4 150 465 7290 1035 $help\001 ./arbsrc_9167/lib/pictures/RNA3D_DisplayHelices.fig0000644012664100000130000001107511213220012022007 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 1710 1305 3075 1485 4 0 -1 0 0 2 14 0.0000 4 165 1350 1710 1440 Display Helices\001 -6 6 1260 5130 4545 5400 6 1845 5130 4530 5310 4 0 -1 0 0 2 14 0.0000 4 165 2700 1845 5265 Display Tertiary Interactions.\001 -6 4 1 -1 0 0 18 13 0.0000 4 165 630 1620 5355 $dispTI\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 855 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6840 585 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 1035 6705 1035 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1800 2250 2250 2250 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 3 1800 2565 1800 3510 2205 3510 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1800 2655 2295 2655 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1800 3060 2250 3060 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 3 1800 1485 1800 2565 1800 2520 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1800 1845 2295 1845 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 3 2475 3690 2475 4635 3150 4635 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2475 4185 2925 4185 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6750 5715 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 945 5760 4 2 -1 0 0 18 12 0.0000 4 165 450 7110 945 $help\001 4 1 -1 0 0 18 13 0.0000 4 165 900 1485 1485 $dispHelix\001 4 0 -1 0 0 2 14 0.0000 4 165 1530 2700 2295 Display Mid Helix\001 4 1 -1 0 0 18 13 0.0000 4 135 810 2430 2385 $midHelix\001 4 1 -1 0 0 18 13 0.0000 4 135 720 2430 2790 $helixNr\001 4 0 -1 0 0 2 14 0.0000 4 165 1800 2700 2700 Display Helix Number\001 4 1 -1 0 0 18 13 0.0000 4 135 900 3780 3240 $helixSize\001 4 0 -1 0 0 2 14 0.0000 4 135 1260 2700 1890 Helix Skeleton\001 4 1 -1 0 0 18 13 0.0000 4 135 810 2430 1980 $backbone\001 4 0 -1 0 0 2 14 0.0000 4 165 2250 2250 3600 Display Number of Helices\001 4 0 -1 0 0 2 14 0.0000 4 135 990 2295 3150 Helix Size \001 4 1 -1 0 0 2 14 0.0000 4 165 2790 2655 945 Display Options for the HELICES\001 4 1 -1 0 0 2 12 0.0000 4 165 1620 3690 4230 From (Helix Nr.) :\001 4 1 -1 0 0 2 12 0.0000 4 165 1440 3780 4680 To (Helix Nr.) :\001 4 1 -1 0 0 2 12 0.0000 4 135 450 5040 4275 $from\001 4 1 -1 0 0 2 12 0.0000 4 135 270 5040 4770 $to\001 4 0 -1 0 0 18 13 0.0000 4 135 540 5850 5625 $close\001 4 1 -1 0 0 2 12 0.0000 4 165 990 5040 3960 $rangeLabel\001 ./arbsrc_9167/lib/pictures/RNA3D_DisplayOptions.fig0000644012664100000130000001015311213220012022062 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 900 900 6345 3465 6 900 1440 4185 2070 4 1 -1 0 0 18 13 0.0000 4 180 585 1462 2025 $color\001 4 0 -1 0 0 2 14 0.0000 4 135 2460 1710 1980 Colorize Molecule Skeleton\001 4 1 -1 0 0 18 13 0.0000 4 180 1005 1440 1620 $backbone\001 4 0 -1 0 0 2 14 0.0000 4 180 2385 1710 1575 Display Molecule Skeleton\001 -6 6 900 1440 4185 2070 4 1 -1 0 0 18 13 0.0000 4 180 585 1462 2025 $color\001 4 0 -1 0 0 2 14 0.0000 4 135 2460 1710 1980 Colorize Molecule Skeleton\001 4 1 -1 0 0 18 13 0.0000 4 180 1005 1440 1620 $backbone\001 4 0 -1 0 0 2 14 0.0000 4 180 2385 1710 1575 Display Molecule Skeleton\001 -6 6 4905 1440 6345 1710 4 1 -1 0 0 18 13 0.0000 4 180 870 5895 1665 $molSize\001 4 0 -1 0 0 2 14 0.0000 4 135 555 4905 1575 Size : \001 -6 6 1260 3195 3795 3465 4 0 -1 0 0 2 14 0.0000 4 180 2100 1695 3330 Display Cursor Postion\001 4 1 -1 0 0 18 13 0.0000 4 195 330 1425 3420 $cp\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 990 1125 6210 1125 4 1 -1 0 0 2 14 0.0000 4 180 3000 2565 1035 Display Options for the Molecule\001 4 0 -1 0 0 2 14 0.0000 4 180 2775 1710 2385 Display Base Position at every \001 4 1 -1 0 0 18 13 0.0000 4 195 870 1440 2430 $dispPos\001 4 1 -1 0 0 18 13 0.0000 4 195 450 4860 2475 $pos\001 4 0 -1 0 0 2 14 0.0000 4 135 990 5130 2385 th Position\001 4 1 -1 0 0 18 13 0.0000 4 180 360 1440 2880 $rot\001 4 0 -1 0 0 2 14 0.0000 4 135 1470 1710 2835 Rotate Molecule\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 585 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6345 3960 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1080 3870 4 2 -1 0 0 18 12 0.0000 4 150 465 6615 1035 $help\001 4 0 -1 0 0 18 13 0.0000 4 180 600 5130 3870 $close\001 ./arbsrc_9167/lib/pictures/RNA3D_Help.fig0000644012664100000130000001262011440743000020003 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 630 810 6705 1035 4 0 -1 0 0 18 13 0.0000 4 135 360 630 1035 $mol\001 4 0 -1 0 0 0 13 0.0000 4 165 3780 2925 945 : General display options for the molecule\001 -6 6 1350 1305 1890 2655 4 0 -1 0 0 18 13 0.0000 4 135 540 1350 2655 $color\001 4 0 -1 0 0 18 13 0.0000 4 165 360 1350 2265 $map\001 4 0 -1 0 0 18 13 0.0000 4 135 540 1350 1845 $helix\001 4 0 -1 0 0 18 13 0.0000 4 135 450 1350 1440 $base\001 -6 6 990 6885 7020 7110 4 2 -1 0 0 18 12 0.0000 4 165 450 7020 7065 $help\001 4 0 -1 0 0 2 14 0.0000 4 165 5400 990 7020 For detailed help regarding respective display buttons click \001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 405 45 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7425 45 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 450 585 7380 585 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 450 4995 7380 4995 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 450 6660 7380 6660 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 7425 7695 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 450 7740 2 2 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 5 450 90 7380 90 7380 7650 450 7650 450 90 4 0 -1 0 0 0 13 0.0000 4 165 2160 2925 4770 : Closes the application\001 4 0 -1 0 0 0 13 0.0000 4 165 4410 2925 4365 : Redraws the structure with new settings/changes\001 4 0 -1 0 0 0 13 0.0000 4 165 3960 2925 4005 : Removes the cut / Displays entire molecule\001 4 0 -1 0 0 0 13 0.0000 4 150 4320 2925 3645 : Cuts the molecule at the center for clear view\001 4 0 -1 0 0 0 13 0.0000 4 165 3600 2925 3285 : DISABLEs the respective display option\001 4 0 -1 0 0 0 13 0.0000 4 165 3510 2925 2925 : ENABLEs the respective display option\001 4 0 -1 0 0 0 13 0.0000 4 165 2520 2925 2565 : Changes the color settings\001 4 0 -1 0 0 0 13 0.0000 4 165 4230 2925 2175 : Superimposes selected rRNA gene, SAI & probes\001 4 0 -1 0 0 0 13 0.0000 4 165 3510 2925 1755 : Displays the secondary structure mask\001 4 0 -1 0 0 0 13 0.0000 4 165 4140 2925 1350 : Displays actual nucleotides in the structure\001 4 0 -1 0 0 0 13 0.0000 4 150 3420 2925 5625 : Zoom IN to / OUT of the 3D molecule \001 4 0 -1 0 0 0 13 0.0000 4 165 2880 2925 5985 : Rotates the 3D molecule freely\001 4 0 -1 0 0 0 13 0.0000 4 150 3870 2925 6390 : Moves molecule to LEFT, RIGHT, TOP & DOWN\001 4 0 -1 0 0 0 13 0.0000 4 165 4320 2925 5310 : Toggles ON/OFF the automatic molecule rotation\001 4 0 -1 0 0 2 14 0.0000 4 165 2880 2340 405 Display Options and Key Bindings\001 4 0 -1 0 0 18 13 0.0000 4 135 540 3600 7470 $close\001 4 0 -1 0 0 18 13 0.0000 4 135 450 1620 4860 $exit\001 4 0 -1 0 0 18 13 0.0000 4 135 630 1620 4455 $reload\001 4 0 -1 0 0 18 13 0.0000 4 135 450 1620 4095 $mask\001 4 0 -1 0 0 18 13 0.0000 4 135 630 1620 3735 $unmask\001 4 0 -1 0 0 18 13 0.0000 4 135 720 1620 3375 $uncheck\001 4 0 -1 0 0 18 13 0.0000 4 135 540 1620 3015 $check\001 4 0 -1 0 0 2 12 0.0000 4 135 450 1575 5355 SPACE\001 4 0 -1 0 0 2 12 0.0000 4 135 990 1350 5670 MOUSE WHEEL\001 4 0 -1 0 0 2 12 0.0000 4 135 900 1395 6390 ARROW KEYS\001 4 0 -1 0 0 2 10 0.0000 4 135 2160 585 5985 MOUSE LEFT BUTTON + MOVE\001 ./arbsrc_9167/lib/pictures/RNA3D_SeqMapping.fig0000644012664100000130000001171611213220012021153 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 900 540 6570 990 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 585 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 990 990 6210 990 4 2 -1 0 0 18 12 0.0000 4 150 465 6570 810 $help\001 4 1 -1 0 0 2 14 0.0000 4 180 4065 3060 900 Display Options for Mapping Sequence Data\001 -6 6 1845 1680 5805 2340 4 1 -1 0 0 18 13 0.0000 4 180 390 2040 1860 $src\001 4 0 -1 0 0 2 14 0.0000 4 180 1920 2310 1815 Map Search Patterns\001 4 1 -1 0 0 18 13 0.0000 4 180 375 2040 2310 $sai\001 4 0 -1 0 0 2 14 0.0000 4 180 3495 2310 2265 Map Sequence Associated Information\001 -6 6 945 1170 2970 1440 4 0 -1 0 0 2 14 0.0000 4 180 1575 1365 1305 Enable Mapping \001 4 1 -1 0 0 18 13 0.0000 4 180 330 1125 1395 $en\001 -6 6 2700 3150 5370 3825 4 1 -1 0 0 18 13 0.0000 4 180 540 2970 3330 $base\001 4 0 -1 0 0 2 14 0.0000 4 180 2130 3240 3285 Display Base Difference\001 4 1 -1 0 0 18 13 0.0000 4 195 450 2970 3780 $pos\001 4 0 -1 0 0 2 14 0.0000 4 180 1935 3240 3735 Display Base Position\001 -6 6 2430 4050 4815 4275 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2430 4140 2925 4140 4 1 -1 0 0 18 13 0.0000 4 180 390 2970 4230 $del\001 4 0 -1 0 0 2 14 0.0000 4 180 1560 3240 4185 Display Deletions\001 -6 6 2430 4950 4860 5160 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2430 5040 2925 5040 4 1 -1 0 0 18 13 0.0000 4 180 390 2970 5130 $ins\001 4 0 -1 0 0 2 14 0.0000 4 180 1620 3240 5085 Display Insertions\001 -6 6 855 5445 6390 5760 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 855 5760 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 5760 4 0 -1 0 0 18 13 0.0000 4 180 600 5265 5625 $close\001 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1440 2205 1890 2205 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1440 1755 1890 1755 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1440 2700 1890 2700 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1440 1350 1440 2700 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2430 3690 2925 3690 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2430 3240 2925 3240 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2430 4590 2925 4590 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 2430 2835 2430 5040 4 0 -1 0 0 18 13 0.0000 4 180 345 6075 2250 $ref\001 4 0 -1 0 0 2 14 0.0000 4 180 1920 2340 2745 Map Selected Species\001 4 1 -1 0 0 18 13 0.0000 4 195 330 2025 2835 $sp\001 4 1 -1 0 0 18 13 0.0000 4 180 450 2970 4680 $mis\001 4 0 -1 0 0 2 14 0.0000 4 180 2280 3240 4635 Display Missing (?) Bases\001 4 1 -1 0 0 18 13 0.0000 4 180 330 5490 5130 $bs\001 4 0 -1 0 0 2 14 0.0000 4 135 480 5760 5085 Bases\001 4 0 -1 0 0 18 13 0.0000 4 195 540 990 5625 $sync\001 ./arbsrc_9167/lib/pictures/saiColorRange.fig0000644012664100000130000000303611213220012020744 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 2160 1485 2925 5085 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 1665 $range0\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 2025 $range1\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 2385 $range2\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 2745 $range3\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 3105 $range4\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 3510 $range5\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 3870 $range6\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 4275 $range7\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 4680 $range8\001 4 0 -1 0 0 18 13 0.0000 4 195 735 2160 5040 $range9\001 -6 6 2160 5445 4005 5670 4 0 -1 0 0 18 13 0.0000 4 180 600 3375 5625 $close\001 4 0 -1 0 0 18 13 0.0000 4 180 780 2160 5625 $reverse\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 540 720 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 3960 5760 4 0 -1 0 0 2 12 0.0000 4 135 840 810 1620 RANGE 0\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 1980 RANGE 1\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 2340 RANGE 2\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 2700 RANGE 3\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 3060 RANGE 4\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 3465 RANGE 5\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 3825 RANGE 6\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 4230 RANGE 7\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 4635 RANGE 8\001 4 0 -1 0 0 2 12 0.0000 4 135 840 810 4995 RANGE 9\001 4 1 -1 0 0 2 14 0.0000 4 135 2250 2520 1125 Color Translation Table \001 4 0 -1 0 0 18 13 0.0000 4 180 690 720 5490 $colors\001 ./arbsrc_9167/lib/pictures/save_as.fig0000644012664100000130000000230511213220012017633 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 3150 8595 5625 8820 4 0 -1 0 0 18 13 0.0000 4 180 720 3165 8775 $Y:save\001 4 0 -1 0 0 18 13 0.0000 4 195 1110 4500 8775 $Y:optimize\001 -6 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1800 450 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 9045 8820 4 0 -1 0 0 18 13 0.0000 4 180 600 1950 900 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 915 1950 1800 $comment\001 4 0 -1 0 0 18 12 0.0000 4 135 1035 1950 8055 Y:File Name\001 4 0 -1 0 0 18 13 0.0000 4 195 1200 3150 8115 $Y:file_name\001 4 0 -1 0 0 18 13 0.0000 4 180 450 1950 4275 $box\001 4 0 -1 0 0 18 12 0.0000 4 180 480 1935 3510 $type\001 4 2 -1 0 0 18 13 0.0000 4 195 705 8895 855 $X:help\001 4 2 -1 0 0 18 13 0.0000 4 180 1020 8895 7740 $to:XY:box\001 4 2 -1 0 0 18 13 0.0000 4 195 1575 8895 8235 $to:XY:file_name\001 4 2 -1 0 0 18 13 0.0000 4 180 960 8895 3915 $to:X:filter\001 4 0 -1 0 0 18 13 0.0000 4 180 720 7350 3795 $X:filter\001 4 2 -1 0 0 18 12 0.0000 4 165 1320 8895 2970 $to:X:comment\001 4 0 -1 0 0 18 12 0.0000 4 135 675 6750 3720 X:Suffix\001 4 0 -1 0 0 18 12 0.0000 4 165 2295 1950 3885 Directories (D) and Files (f)\001 4 0 -1 0 0 18 12 0.0000 4 180 1830 1950 1395 Database description\001 ./arbsrc_9167/lib/pictures/sec_bonddef.fig0000644012664100000130000000060711213220012020450 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1125 900 4 0 -1 0 0 18 12 0.0000 4 135 540 1425 1200 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 450 8100 1200 $help\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1500 1815 $label\001 4 0 -1 0 0 18 12 0.0000 4 165 540 3510 1815 $pairs\001 4 0 -1 0 0 18 12 0.0000 4 135 540 7335 1815 $chars\001 ./arbsrc_9167/lib/pictures/sec_display.fig0000644012664100000130000000316011213220012020511 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 6 1350 3240 7470 8730 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1575 3240 7110 3240 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1575 5535 7110 5535 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1575 6975 7110 6975 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 7470 8730 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1350 8010 7335 8010 4 0 -1 0 0 18 12 0.0000 4 135 630 1530 3690 $cursor\001 4 0 -1 0 0 18 12 0.0000 4 165 720 1530 6345 $binding\001 4 0 -1 0 0 18 12 0.0000 4 135 630 1530 6795 $ecoli2\001 4 0 -1 0 0 18 12 0.0000 4 165 5310 1530 5895 Show all positions where current sequence has bases plus ..\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1575 8550 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 990 3330 8550 $show_debug\001 4 0 -1 0 0 2 14 0.0000 4 135 540 1530 4545 $ecoli\001 4 0 -1 0 0 2 14 0.0000 4 135 810 1530 4140 $helixNrs\001 4 0 -1 0 0 18 12 0.0000 4 135 360 1530 5400 $sai\001 4 0 -1 0 0 2 14 0.0000 4 135 630 1530 4995 $search\001 4 0 -1 0 0 2 14 0.0000 4 135 1080 1530 7335 $strSkeleton\001 4 0 -1 0 0 2 14 0.0000 4 135 1260 1530 7785 $skelThickness\001 -6 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1260 585 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1350 1215 7335 1215 4 0 -1 0 0 2 16 0.0000 4 165 1350 1395 990 Display Options\001 4 2 -1 0 0 18 12 0.0000 4 165 450 7335 1035 $help\001 4 0 -1 0 0 18 12 0.0000 4 150 1080 1530 2160 $strand_dist\001 4 0 -1 0 0 18 12 0.0000 4 135 540 1530 2610 $bonds\001 4 2 -1 0 0 18 12 0.0000 4 135 720 7110 2610 $bonddef\001 4 0 -1 0 0 2 14 0.0000 4 135 540 1530 1710 $bases\001 4 0 -1 0 0 2 14 0.0000 4 135 1260 1530 3060 $bondThickness\001 ./arbsrc_9167/lib/pictures/sec_imexport.fig0000644012664100000130000000205011213220012020710 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 29 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 479 384 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 474 429 474 429 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 129 59 $close 4 2 18 13 0 -1 0 0.00000 4 15 56 224 59 $to:close 4 0 18 13 0 -1 0 0.00000 4 17 30 129 114 $box 4 0 18 13 0 -1 0 0.00000 4 15 67 129 369 $file_name 4 2 18 13 0 -1 0 0.00000 4 15 83 469 369 $to:file_name 4 0 18 12 0 -1 0 0.00000 4 15 153 129 84 Directories (D) and Files (f) 4 2 18 13 0 -1 0 0.00000 4 17 59 469 314 $to:X:box 4 0 18 13 0 -1 0 0.00000 4 17 35 399 84 $filter 4 2 18 13 0 -1 0 0.00000 4 17 51 469 84 $to:filter 4 2 18 13 0 -1 0 0.00000 4 17 63 469 54 $to:X:help 4 0 18 13 0 -1 0 0.00000 4 17 47 399 54 $X:help 4 0 18 12 0 -1 0 0.00000 4 15 36 349 79 Suffix 4 0 18 12 0 -1 0 0.00000 4 15 58 129 339 File Name 4 0 18 13 0 -1 0 0.00000 4 13 42 129 419 $Y:save 4 2 18 13 0 -1 0 0.00000 4 13 60 224 419 $to:Y:save 4 0 18 13 0 -1 0 0.00000 4 13 60 364 419 $XY:cancel 4 2 18 13 0 -1 0 0.00000 4 13 78 469 419 $to:XY:cancel ./arbsrc_9167/lib/pictures/sel_box.fig0000644012664100000130000000523511440743000017663 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1800 450 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7200 5775 4 0 -1 0 0 18 13 0.0000 4 195 675 1950 900 $close\001 4 2 -1 0 0 18 13 0.0000 4 195 960 3375 900 $to:close\001 4 2 -1 0 0 18 12 0.0000 4 165 600 4500 6075 $user1\001 4 2 -1 0 0 18 12 0.0000 4 165 840 4500 6525 $to:user2\001 4 0 -1 0 0 18 13 0.0000 4 195 495 1950 1725 $box\001 4 0 -1 0 0 18 13 0.0000 4 210 1095 1950 5550 $file_name\001 4 0 -1 0 0 18 12 0.0000 4 165 495 1950 6075 $user\001 4 0 -1 0 0 18 12 0.0000 4 180 750 1950 6525 $toggle1\001 4 0 -1 0 0 18 12 0.0000 4 165 600 1950 6525 $user2\001 4 2 -1 0 0 18 12 0.0000 4 165 840 7050 6525 $to:user2\001 4 2 -1 0 0 18 12 0.0000 4 165 735 7050 6075 $to:user\001 4 0 -1 0 0 18 12 0.0000 4 165 600 1950 6900 $user3\001 4 2 -1 0 0 18 13 0.0000 4 195 1005 3375 6525 $to:save2\001 4 0 -1 0 0 18 13 0.0000 4 195 720 1950 6900 $save3\001 4 2 -1 0 0 18 13 0.0000 4 195 1005 3375 6900 $to:save3\001 4 0 -1 0 0 18 13 0.0000 4 195 720 1950 6525 $save2\001 4 0 -1 0 0 18 13 0.0000 4 195 915 3900 6900 $cancel3\001 4 2 -1 0 0 18 13 0.0000 4 195 1200 5400 6900 $to:cancel3\001 4 0 -1 0 0 18 13 0.0000 4 195 915 3900 6525 $cancel2\001 4 2 -1 0 0 18 13 0.0000 4 195 1200 5400 6525 $to:cancel2\001 4 0 -1 0 0 18 13 0.0000 4 195 795 3900 6075 $cancel\001 4 2 -1 0 0 18 13 0.0000 4 195 1080 5400 6075 $to:cancel\001 4 0 -1 0 0 18 13 0.0000 4 195 600 1950 6075 $save\001 4 2 -1 0 0 18 13 0.0000 4 195 885 3375 6075 $to:save\001 4 0 -1 0 0 18 13 0.0000 4 210 570 6150 825 $help\001 4 2 -1 0 0 18 13 0.0000 4 210 855 7050 825 $to:help\001 4 0 -1 0 0 18 13 0.0000 4 195 945 1950 8850 $Y:save4\001 4 2 -1 0 0 18 13 0.0000 4 195 1230 3375 8850 $to:Y:save4\001 4 0 -1 0 0 18 12 0.0000 4 180 720 3600 8850 $Y:opti4\001 4 2 -1 0 0 18 12 0.0000 4 180 960 5250 8850 $to:Y:opti4\001 4 0 -1 0 0 18 13 0.0000 4 195 1140 5475 8850 $Y:cancel4\001 4 2 -1 0 0 18 13 0.0000 4 195 1425 7050 8850 $to:Y:cancel4\001 4 2 -1 0 0 18 12 0.0000 4 165 1140 7050 8400 $to:XY:user3\001 4 2 -1 0 0 18 13 0.0000 4 195 990 7050 4725 $to:X:box\001 4 0 -1 0 0 18 12 0.0000 4 135 870 1950 5100 File Name\001 4 0 -1 0 0 0 12 0.0000 4 195 435 5700 6075 $print\001 4 2 -1 0 0 0 12 0.0000 4 195 630 7050 6075 $to:print\001 4 2 -1 0 0 18 13 0.0000 4 210 1590 7050 5715 $to:X:file_name\001 4 0 -1 0 0 18 12 0.0000 4 135 540 5265 1260 Suffix\001 4 0 -1 0 0 18 12 0.0000 4 180 2505 1935 1260 Directories (D) and Files (f)\001 4 2 -1 0 0 18 13 0.0000 4 195 870 7065 1305 $to:filter\001 4 0 -1 0 0 18 13 0.0000 4 195 780 4410 855 $format\001 4 2 -1 0 0 18 13 0.0000 4 195 1065 6255 855 $to:format\001 4 0 -1 0 0 18 13 0.0000 4 195 585 6030 1305 $filter\001 ./arbsrc_9167/lib/pictures/selectSAI.fig0000644012664100000130000000063011213220012020025 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6300 6030 4 0 -1 0 0 0 12 0.0000 4 165 780 1350 1575 $selection\001 4 2 -1 0 0 0 12 0.0000 4 165 1290 6165 5355 $to:XY:selection\001 4 0 -1 0 0 0 12 0.0000 4 165 675 2970 5850 $Y:close\001 4 2 -1 0 0 0 12 0.0000 4 165 870 4230 5850 $to:Y:close\001 ./arbsrc_9167/lib/pictures/select_simple.fig0000644012664100000130000000101511213220012021037 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 1200 1200 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 7200 6000 4 2 -1 0 0 0 12 0.0000 4 165 1290 7050 5400 $to:XY:selection\001 4 2 -1 0 0 0 12 0.0000 4 165 870 2400 5850 $to:Y:close\001 4 2 -1 0 0 0 12 0.0000 4 195 975 5400 5850 $to:Y:modify\001 4 0 -1 0 0 0 12 0.0000 4 165 675 1350 5850 $Y:close\001 4 0 -1 0 0 0 12 0.0000 4 195 780 3600 5850 $Y:modify\001 4 0 -1 0 0 0 12 0.0000 4 165 780 1350 1575 $selection\001 ./arbsrc_9167/lib/pictures/seq_quality.fig0000644012664100000130000001167611440743000020576 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 1080 5175 7065 5490 4 0 -1 0 0 18 13 0.0000 4 210 1080 5985 5445 $to:X:filter\001 4 0 -1 0 0 18 13 0.0000 4 210 585 1845 5400 $filter\001 4 0 -1 0 0 18 13 0.0000 4 165 615 1080 5355 Filter:\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 855 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1575 1665 5355 1665 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 5670 5940 5670 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 7920 5940 7920 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6210 10215 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 6165 1980 6165 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 9630 5940 9630 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1080 9585 5940 9585 4 2 -1 0 0 18 13 0.0000 4 210 1020 6255 4410 $to:X:tree\001 4 0 -1 0 0 18 13 0.0000 4 210 525 1080 2745 $tree\001 4 0 -1 0 0 18 13 0.0000 4 210 4875 1080 2295 Select a tree to define groups to analyze (opt.):\001 4 1 -1 0 0 2 18 0.0000 4 255 3210 3465 1575 Calculate sequence quality\001 4 2 -1 0 0 18 12 0.0000 4 195 510 6030 1080 $help\001 4 0 -1 0 0 18 13 0.0000 4 210 675 1080 1080 $close\001 4 0 -1 0 0 18 13 0.0000 4 225 750 1035 4905 $monly\001 4 0 -1 0 0 18 13 0.0000 4 210 3075 1665 4860 Evaluate only marked species\001 4 0 -1 0 0 18 13 0.0000 4 165 525 1080 8460 Mark\001 4 0 -1 0 0 18 13 0.0000 4 210 630 1845 8505 $mark\001 4 0 -1 0 0 18 13 0.0000 4 225 1350 5355 8505 $mark_below\001 4 0 -1 0 0 18 13 0.0000 4 210 2700 2430 8460 species with quality below\001 4 0 0 0 -1 18 13 0.0000 4 210 1395 2430 8715 (unmark rest)\001 4 0 -1 0 0 18 13 0.0000 4 210 1200 3510 9270 $reevaluate\001 4 0 -1 0 0 18 13 0.0000 4 225 390 1080 9270 $go\001 4 0 -1 0 0 18 13 0.0000 4 210 1425 1080 6615 Base analysis\001 4 0 -1 0 0 18 13 0.0000 4 165 990 1080 7110 Deviation\001 4 0 -1 0 0 18 13 0.0000 4 165 1110 1080 7605 No Helices\001 4 0 -1 0 0 18 13 0.0000 4 210 1515 3645 7110 GC proportion\001 4 0 -1 0 0 18 13 0.0000 4 165 690 3645 6615 IUPAC\001 4 0 -1 0 0 18 13 0.0000 4 210 615 2745 6660 $base\001 4 0 -1 0 0 18 13 0.0000 4 210 1080 2745 7155 $deviation\001 4 0 -1 0 0 18 13 0.0000 4 225 1245 2745 7650 $no_helices\001 4 0 -1 0 0 18 13 0.0000 4 225 690 5355 6660 $iupac\001 4 0 -1 0 0 18 13 0.0000 4 225 1620 5355 7155 $gc_proportion\001 4 0 -1 0 0 18 13 0.0000 4 165 1185 3645 7605 Consensus\001 4 0 -1 0 0 18 13 0.0000 4 210 1260 5355 7650 $consensus\001 4 0 -1 0 0 18 13 0.0000 4 210 930 1080 6075 Weights:\001 4 0 -1 0 0 18 13 0.0000 4 210 2685 2520 9990 all quality entries from DB\001 4 0 -1 0 0 18 13 0.0000 4 210 885 1080 10080 $remove\001 ./arbsrc_9167/lib/pictures/sl_l_box.fig0000644012664100000130000000125111213220012020012 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 39 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 394 449 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 54 74 $close 4 0 18 12 0 -1 0 0.00000 4 15 63 49 349 $file_name 4 2 18 13 0 -1 0 0.00000 4 15 83 389 339 $to:file_name 4 0 18 13 0 -1 0 0.00000 4 17 30 54 129 $box 4 0 18 12 0 -1 0 0.00000 4 15 153 59 104 Directories (D) and Files (f) 4 0 18 13 0 -1 0 0.00000 4 17 62 54 324 File Name 4 2 18 13 0 -1 0 0.00000 4 17 35 384 89 $filter 4 0 18 12 0 -1 0 0.00000 4 15 33 289 84 Suffix 4 2 18 13 0 -1 0 0.00000 4 17 59 389 289 $to:X:box 4 0 18 13 0 -1 0 0.00000 4 17 36 349 394 $print 4 0 18 13 0 -1 0 0.00000 4 16 31 54 419 $load ./arbsrc_9167/lib/pictures/sl_s_box.fig0000644012664100000130000000163711213220012020031 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 600 600 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 6000 6975 4 0 -1 0 0 18 13 0.0000 4 180 600 825 1125 $close\001 4 0 -1 0 0 18 12 0.0000 4 165 945 750 5250 $file_name\001 4 2 -1 0 0 18 13 0.0000 4 195 1245 5850 5100 $to:file_name\001 4 0 -1 0 0 18 13 0.0000 4 195 540 5250 6375 $print\001 4 0 -1 0 0 18 13 0.0000 4 180 525 825 6750 $save\001 4 0 -1 0 0 18 13 0.0000 4 180 450 825 1950 $box\001 4 0 -1 0 0 18 12 0.0000 4 165 2295 900 1575 Directories (D) and Files (f)\001 4 0 -1 0 0 18 13 0.0000 4 135 930 825 4875 File Name\001 4 0 -1 0 0 18 13 0.0000 4 180 1605 825 5775 How many lines?\001 4 2 -1 0 0 18 13 0.0000 4 180 525 5775 1350 $filter\001 4 0 -1 0 0 18 12 0.0000 4 135 495 4350 1275 Suffix\001 4 2 -1 0 0 18 13 0.0000 4 180 885 5850 4350 $to:X:box\001 4 0 -1 0 0 18 13 0.0000 4 180 675 2880 5850 $nlines\001 ./arbsrc_9167/lib/pictures/stat_main.fig0000644012664100000130000000061211213220012020170 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 419 379 419 79 99 79 99 379 419 379 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 38 119 114 $close 4 2 18 12 0 -1 0 0.00000 4 15 31 399 114 $help 4 0 18 12 0 -1 0 0.00000 4 15 25 119 359 $GO 4 0 18 12 0 -1 0 0.00000 4 15 94 119 174 Column Statistic 4 0 18 12 0 -1 0 0.00000 4 15 55 239 179 $awt_csp 4 0 18 12 0 -1 0 0.00000 4 15 51 119 234 $marked ./arbsrc_9167/lib/pictures/status.fig0000644012664100000130000000152411215726616017566 0ustar arb_buildcoders#FIG 3.2 Produced by xfig version 3.2.5 Landscape Center Metric A4 100.00 Single -2 1200 2 6 5535 2835 7200 3060 4 0 -1 0 0 18 12 0.0000 4 210 450 5535 3015 $Kill\001 4 2 -1 0 0 18 12 0.0000 4 210 735 7185 3015 $to:Kill\001 -6 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2700 975 6300 975 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 1800 2655 7380 2655 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 3225 1350 5850 1350 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 1800 585 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 7425 3285 4 1 -1 0 0 18 12 0.0000 4 225 795 4500 1875 $Gauge\001 4 1 -1 0 0 18 12 0.0000 4 225 930 4500 2295 $elapsed\001 4 0 -1 0 0 18 12 0.0000 4 210 585 1950 3015 $Hide\001 4 2 -1 0 0 18 12 0.0000 4 210 870 3600 3015 $to:Hide\001 4 1 -1 0 0 18 12 0.0000 4 210 555 4500 990 $Titel\001 4 1 -1 0 0 18 12 0.0000 4 210 540 4500 1395 $Text\001 ./arbsrc_9167/lib/pictures/submiss.fig0000644012664100000130000000226511213220012017704 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 300 300 2 1 0 1 -1 -1 0 0 -1 0.000 0 0 -1 0 0 1 13800 10500 4 0 -1 0 0 18 16 0.0000 4 195 675 600 900 $close\001 4 0 -1 0 0 18 16 0.0000 4 195 615 600 10200 $write\001 4 0 -1 0 0 18 16 0.0000 4 195 1320 600 5400 $submission\001 4 0 -1 0 0 18 16 0.0000 4 210 915 4200 900 $species\001 4 0 -1 0 0 18 16 0.0000 4 210 720 3000 1500 $privat\001 4 0 -1 0 0 18 16 0.0000 4 210 1215 600 1500 $privatlabel\001 4 0 -1 0 0 18 16 0.0000 4 210 705 600 6000 $parse\001 4 0 -1 0 0 18 16 0.0000 4 210 840 3000 6000 $parsed\001 4 0 -1 0 0 18 16 0.0000 4 195 420 600 9600 $file\001 4 0 -1 0 0 18 16 0.0000 4 195 510 600 3225 $info\001 4 0 -1 0 0 18 16 0.0000 4 210 1350 3000 3225 $parsed_info\001 4 0 -1 0 0 18 16 0.0000 4 195 1110 3000 10200 $editresult\001 4 2 -1 0 0 18 16 0.0000 4 195 510 13500 5400 $edit\001 4 0 -1 0 0 18 16 0.0000 4 210 510 600 9000 $gen\001 4 2 -1 0 0 18 16 0.0000 4 210 1215 13500 2700 $to:X:privat\001 4 2 -1 0 0 18 16 0.0000 4 210 1845 13500 4800 $to:X:parsed_info\001 4 2 -1 0 0 18 16 0.0000 4 210 1335 13500 8700 $to:X:parsed\001 4 0 -1 0 0 18 16 0.0000 4 210 570 1800 900 $help\001 ./arbsrc_9167/lib/pictures/trackali.fig0000644012664100000130000000140711213220012020006 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 135 135 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 1 5895 4005 4 0 -1 0 0 18 14 0.0000 4 135 540 240 420 $close\001 4 2 -1 0 0 18 12 0.0000 4 165 450 5640 420 $help\001 4 1 -1 0 0 18 14 0.0000 4 165 3240 2940 1020 Track alignment and sequence changes\001 4 2 -1 0 0 18 14 0.0000 4 150 1260 5625 3690 $to:XY:ali_sel\001 4 0 -1 0 0 18 14 0.0000 4 165 450 405 3735 $Y:go\001 4 0 -1 0 0 18 14 0.0000 4 135 1170 390 1545 Your initials\001 4 0 -1 0 0 18 14 0.0000 4 135 810 2655 1545 $initials\001 4 0 -1 0 0 18 14 0.0000 4 165 810 390 2130 Alignment\001 4 0 -1 0 0 18 14 0.0000 4 150 720 2655 2130 $ali_sel\001 4 2 -1 0 0 18 14 0.0000 4 150 1260 5580 1710 $to:X:initials\001 ./arbsrc_9167/lib/pictures/transdna.fig0000644012664100000130000000153711213220012020032 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 459 244 459 104 289 104 289 244 459 244 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 299 479 4 79 4 79 299 479 299 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 144 84 414 84 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 269 244 269 104 99 104 99 244 269 244 9999 9999 4 0 18 14 0 -1 0 0.00000 4 19 45 99 39 $close 4 1 18 14 0 -1 0 0.00000 4 19 55 279 284 $realign 4 0 18 14 0 -1 0 0.00000 4 19 125 109 129 Your aligned PRO. 4 0 18 14 0 -1 0 0.00000 4 19 138 299 129 Your DNA alignment 4 0 18 14 0 -1 0 0.00000 4 19 38 109 159 $dest 4 0 18 14 0 -1 0 0.00000 4 19 55 299 159 $source 4 2 18 13 0 -1 0 0.00000 4 15 65 449 234 $to:source 4 2 18 13 0 -1 0 0.00000 4 15 49 259 234 $to:dest 4 2 18 12 0 -1 0 0.00000 4 15 31 459 39 $help 4 1 18 14 0 -1 0 0.00000 4 19 331 279 79 Realign Marked DNA after you have aligned PRO ./arbsrc_9167/lib/pictures/transpro.fig0000644012664100000130000000311511213220012020062 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 1035 135 2 1 0 2 -1 -1 0 0 -1 0.000 0 0 -1 0 0 2 2550 1200 7650 1200 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 4905 3675 4905 1485 1650 1485 1650 3675 4905 3675 2 2 0 1 -1 -1 0 0 -1 0.000 0 0 0 0 0 5 8486 3675 8486 1485 5220 1485 5220 3675 8486 3675 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 9225 8190 4 0 -1 0 0 18 12 0.0000 4 165 705 1800 2250 $source\001 4 0 -1 0 0 18 12 0.0000 4 165 570 1425 600 $close\001 4 0 -1 0 0 18 10 0.0000 4 150 1995 3900 525 Note: Please read help first\001 4 0 -1 0 0 18 12 0.0000 4 165 585 1800 4455 $mode\001 4 0 -1 0 0 18 12 0.0000 4 180 3780 1800 4050 How to select codon table and start position:\001 4 2 -1 0 0 18 12 0.0000 4 180 465 8955 600 $help\001 4 1 -1 0 0 18 12 0.0000 4 135 4665 5100 1125 This Function translates marked nucleic to aminoacids\001 4 0 -1 0 0 18 12 0.0000 4 165 480 5412 2250 $dest\001 4 2 -1 0 0 18 12 0.0000 4 165 705 8294 3525 $to:dest\001 4 0 -1 0 0 18 12 0.0000 4 180 1890 5412 1800 Destination Alignment\001 4 0 -1 0 0 18 12 0.0000 4 180 1530 1800 1800 Source Alignment\001 4 2 -1 0 0 18 13 0.0000 4 180 975 4725 3525 $to:source\001 4 0 -1 0 0 18 12 0.0000 4 165 510 1800 7245 $start\001 4 0 -1 0 0 18 12 0.0000 4 165 870 1425 7920 $translate\001 4 0 -1 0 0 18 12 0.0000 4 135 1125 1800 5775 Codon Table:\001 4 2 -1 0 0 18 12 0.0000 4 165 525 8370 6300 $table\001 4 0 -1 0 0 18 12 0.0000 4 165 525 1800 6795 $write\001 4 0 -1 0 0 18 12 0.0000 4 180 1140 1800 5280 Start position\001 4 0 -1 0 0 18 12 0.0000 4 180 420 3690 5355 $pos\001 ./arbsrc_9167/lib/pictures/unused/demo/demo1.fig0000644012664100000130000000536211213220012021454 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 159 719 159 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 719 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 359 719 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 339 719 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 379 719 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 399 719 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 459 719 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 419 719 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 439 719 439 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 139 99 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 139 699 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 139 399 479 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 499 739 19 59 19 59 499 739 499 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 102 399 179 $open_picture_2 4 1 18 13 0 -1 0 0.00000 4 17 115 399 459 $open_selection_2 4 0 18 13 0 -1 0 0.00000 4 17 115 99 459 $open_selection_1 4 2 18 13 0 -1 0 0.00000 4 17 115 699 459 $open_selection_3 4 0 18 13 0 -1 0 0.00000 4 17 102 99 179 $open_picture_1 4 0 18 13 0 -1 0 0.00000 4 17 95 99 219 $open_string_1 4 0 18 13 0 -1 0 0.00000 4 17 89 99 259 $open_label_1 4 0 18 13 0 -1 0 0.00000 4 17 91 99 299 $open_input_1 4 0 18 13 0 -1 0 0.00000 4 17 81 99 339 $open_text_1 4 0 18 13 0 -1 0 0.00000 4 17 99 99 379 $open_option_1 4 0 18 13 0 -1 0 0.00000 4 17 98 99 419 $open_toggle_1 4 2 18 13 0 -1 0 0.00000 4 17 102 699 179 $open_picture_3 4 2 18 13 0 -1 0 0.00000 4 17 89 699 259 $open_label_3 4 2 18 13 0 -1 0 0.00000 4 17 91 699 299 $open_input_3 4 2 18 13 0 -1 0 0.00000 4 17 99 699 379 $open_option_3 4 2 18 13 0 -1 0 0.00000 4 17 98 699 419 $open_toggle_3 4 2 18 13 0 -1 0 0.00000 4 17 95 699 219 $open_string_3 4 2 18 13 0 -1 0 0.00000 4 17 81 699 339 $open_text_3 4 1 18 13 0 -1 0 0.00000 4 17 89 399 259 $open_label_2 4 1 18 13 0 -1 0 0.00000 4 17 81 399 339 $open_text_2 4 1 18 13 0 -1 0 0.00000 4 17 95 399 219 $open_string_2 4 1 18 13 0 -1 0 0.00000 4 17 99 399 379 $open_option_2 4 1 18 13 0 -1 0 0.00000 4 17 91 399 299 $open_input_2 4 1 18 13 0 -1 0 0.00000 4 17 98 399 419 $open_toggle_2 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 119 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 119 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 699 59 $reload 4 0 18 13 0 -1 0 0.00000 4 17 40 99 59 $close ./arbsrc_9167/lib/pictures/unused/demo/demo2.fig0000644012664100000130000000601611213220012021452 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 719 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 339 719 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 359 719 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 399 719 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 379 719 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 419 719 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 439 719 439 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 499 719 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 459 719 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 479 719 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 139 99 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 139 699 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 139 399 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 159 719 159 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 539 739 19 59 19 59 539 739 539 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 102 399 219 $open_picture_2 4 1 18 13 0 -1 0 0.00000 4 17 115 399 499 $open_selection_2 4 0 18 13 0 -1 0 0.00000 4 17 115 99 499 $open_selection_1 4 2 18 13 0 -1 0 0.00000 4 17 115 699 499 $open_selection_3 4 0 18 13 0 -1 0 0.00000 4 17 95 99 259 $open_string_1 4 0 18 13 0 -1 0 0.00000 4 17 89 99 299 $open_label_1 4 0 18 13 0 -1 0 0.00000 4 17 91 99 339 $open_input_1 4 0 18 13 0 -1 0 0.00000 4 17 81 99 379 $open_text_1 4 0 18 13 0 -1 0 0.00000 4 17 99 99 419 $open_option_1 4 0 18 13 0 -1 0 0.00000 4 17 98 99 459 $open_toggle_1 4 2 18 13 0 -1 0 0.00000 4 17 102 699 219 $open_picture_3 4 2 18 13 0 -1 0 0.00000 4 17 89 699 299 $open_label_3 4 2 18 13 0 -1 0 0.00000 4 17 91 699 339 $open_input_3 4 2 18 13 0 -1 0 0.00000 4 17 99 699 419 $open_option_3 4 2 18 13 0 -1 0 0.00000 4 17 98 699 459 $open_toggle_3 4 2 18 13 0 -1 0 0.00000 4 17 95 699 259 $open_string_3 4 2 18 13 0 -1 0 0.00000 4 17 81 699 379 $open_text_3 4 1 18 13 0 -1 0 0.00000 4 17 89 399 299 $open_label_2 4 1 18 13 0 -1 0 0.00000 4 17 81 399 379 $open_text_2 4 1 18 13 0 -1 0 0.00000 4 17 95 399 259 $open_string_2 4 1 18 13 0 -1 0 0.00000 4 17 99 399 419 $open_option_2 4 1 18 13 0 -1 0 0.00000 4 17 91 399 339 $open_input_2 4 1 18 13 0 -1 0 0.00000 4 17 98 399 459 $open_toggle_2 4 0 18 13 0 -1 0 0.00000 4 17 102 99 219 $open_picture_1 4 0 18 13 0 -1 0 0.00000 4 17 99 99 179 $open_button_1 4 1 18 13 0 -1 0 0.00000 4 17 99 399 179 $open_button_2 4 2 18 13 0 -1 0 0.00000 4 17 99 699 179 $open_button_3 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 99 59 $close 4 1 18 13 0 -1 0 0.00000 4 17 53 399 119 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 119 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 699 59 $reload ./arbsrc_9167/lib/pictures/unused/demo/demo3.fig0000644012664100000130000000363011213220012021452 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 399 739 39 59 39 59 399 739 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 719 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 159 699 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 359 719 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 339 719 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 159 399 379 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 89 99 239 $open_label_1 4 0 18 13 0 -1 0 0.00000 4 17 91 99 279 $open_input_1 4 0 18 13 0 -1 0 0.00000 4 17 81 99 319 $open_text_1 4 0 18 13 0 -1 0 0.00000 4 17 115 99 359 $open_selection_1 4 1 18 13 0 -1 0 0.00000 4 17 89 399 239 $open_label_2 4 1 18 13 0 -1 0 0.00000 4 17 91 399 279 $open_input_2 4 1 18 13 0 -1 0 0.00000 4 17 81 399 319 $open_text_2 4 1 18 13 0 -1 0 0.00000 4 17 115 399 359 $open_selection_2 4 2 18 13 0 -1 0 0.00000 4 17 89 699 239 $open_label_3 4 2 18 13 0 -1 0 0.00000 4 17 91 699 279 $open_input_3 4 2 18 13 0 -1 0 0.00000 4 17 81 699 319 $open_text_3 4 2 18 13 0 -1 0 0.00000 4 17 115 699 359 $open_selection_3 4 0 18 13 0 -1 0 0.00000 4 17 99 99 199 $open_button_1 4 1 18 13 0 -1 0 0.00000 4 17 99 399 199 $open_button_2 4 2 18 13 0 -1 0 0.00000 4 17 99 699 199 $open_button_3 4 0 18 13 0 -1 0 0.00000 4 17 73 99 139 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 139 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 139 right justified 4 0 18 13 0 -1 0 0.00000 4 17 40 99 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 699 79 $reload ./arbsrc_9167/lib/pictures/unused/demo/demo_buttons_2.fig0000644012664100000130000000072411213220012023367 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 179 99 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 459 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 459 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 299 479 79 59 79 59 299 479 299 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 72 99 219 $button_l_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 159 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 79 119 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 459 119 $reload ./arbsrc_9167/lib/pictures/unused/demo/demo_buttons_3.fig0000644012664100000130000000110111213220012023356 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 159 699 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 339 59 339 59 39 739 39 739 339 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 79 $reload 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 0 18 13 0 -1 0 0.00000 4 17 61 99 199 $button_1 4 2 18 13 0 -1 0 0.00000 4 17 77 699 299 $to:button_1 ./arbsrc_9167/lib/pictures/unused/demo/demo.fig0000644012664100000130000001050711213220012021370 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 79 39 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 79 399 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 619 79 619 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 119 1119 119 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 179 1119 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 919 219 919 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 659 219 659 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 159 219 159 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 259 1119 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 419 1119 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 479 1119 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 379 119 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 299 379 299 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 579 379 579 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 839 379 839 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 399 1119 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 459 1119 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 859 79 859 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 1099 219 1099 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 1039 379 1039 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 59 539 59 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 259 539 259 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 579 1119 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 559 1119 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 579 539 579 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 779 539 779 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 739 1119 739 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 719 79 879 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 719 719 719 879 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 419 719 419 879 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 759 1119 759 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 1139 919 1139 19 19 19 19 919 1139 919 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 199 79 199 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 159 1119 159 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 99 1119 99 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 219 399 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 239 1119 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 299 1119 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 39 319 1119 319 9999 9999 4 0 18 16 0 -1 0 0.00000 4 19 50 39 59 $close 4 0 18 16 0 -1 0 0.00000 4 19 68 39 179 $button2 4 0 18 16 0 -1 0 0.00000 4 19 57 399 119 $input1 4 0 18 16 0 -1 0 0.00000 4 19 57 399 179 $input2 4 0 18 16 0 -1 0 0.00000 4 19 67 619 119 $option1 4 0 18 16 0 -1 0 0.00000 4 19 67 619 179 $option2 4 0 18 16 0 -1 0 0.00000 4 19 68 39 119 $button1 4 2 18 16 0 -1 0 0.00000 4 19 57 659 259 $input3 4 2 18 16 0 -1 0 0.00000 4 19 57 659 319 $input4 4 2 18 16 0 -1 0 0.00000 4 19 67 919 259 $option3 4 2 18 16 0 -1 0 0.00000 4 19 67 919 319 $option4 4 2 18 16 0 -1 0 0.00000 4 19 68 159 319 $button4 4 2 18 16 0 -1 0 0.00000 4 19 68 159 259 $button3 4 1 18 16 0 -1 0 0.00000 4 19 68 119 419 $button5 4 1 18 16 0 -1 0 0.00000 4 19 54 299 419 $label5 4 1 18 16 0 -1 0 0.00000 4 19 57 579 419 $input5 4 1 18 16 0 -1 0 0.00000 4 19 67 839 419 $option5 4 1 18 16 0 -1 0 0.00000 4 19 68 119 479 $button6 4 1 18 16 0 -1 0 0.00000 4 19 54 299 479 $label6 4 1 18 16 0 -1 0 0.00000 4 19 57 579 479 $input6 4 1 18 16 0 -1 0 0.00000 4 19 67 839 479 $option6 4 0 18 16 0 -1 0 0.00000 4 19 62 859 119 $string1 4 0 18 16 0 -1 0 0.00000 4 19 62 859 179 $string2 4 2 18 16 0 -1 0 0.00000 4 19 62 1099 259 $string3 4 2 18 16 0 -1 0 0.00000 4 19 62 1099 319 $string4 4 1 18 16 0 -1 0 0.00000 4 19 62 1039 419 $string5 4 1 18 16 0 -1 0 0.00000 4 19 62 1039 479 $string6 4 2 18 16 0 -1 0 0.00000 4 19 57 1119 59 $reload 4 0 18 16 0 -1 0 0.00000 4 19 68 59 579 $button7 4 0 18 16 0 -1 0 0.00000 4 21 66 259 579 $toggle1 4 2 18 16 0 -1 0 0.00000 4 21 66 579 579 $toggle2 4 1 18 16 0 -1 0 0.00000 4 21 66 779 579 $toggle3 4 0 18 16 0 -1 0 0.00000 4 21 66 79 759 $toggle4 4 1 18 16 0 -1 0 0.00000 4 21 66 719 759 $toggle6 4 2 18 16 0 -1 0 0.00000 4 21 66 419 759 $toggle5 4 0 18 16 0 -1 0 0.00000 4 19 54 199 179 $label2 4 0 18 16 0 -1 0 0.00000 4 19 54 199 119 $label1 4 2 18 16 0 -1 0 0.00000 4 19 54 399 259 $label3 4 0 18 16 0 -1 0 0.00000 4 21 99 459 79 linksbuendig 4 0 18 16 0 -1 0 0.00000 4 21 111 459 219 rechtsbuendig 4 2 18 16 0 -1 0 0.00000 4 19 54 399 319 $label4 4 0 18 16 0 -1 0 0.00000 4 21 56 459 379 zentiert ./arbsrc_9167/lib/pictures/unused/demo/demo_input_2.fig0000644012664100000130000000170211213220012023025 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 279 99 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 419 739 239 59 239 59 419 739 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 499 719 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 479 99 539 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 519 719 519 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 599 739 439 59 439 59 599 739 599 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 619 759 139 39 139 39 619 759 619 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 87 399 259 without labels 4 0 18 13 0 -1 0 0.00000 4 17 64 99 319 $input_l_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 219 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 79 179 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 179 $reload 4 1 18 13 0 -1 0 0.00000 4 17 67 399 459 with labels 4 0 18 13 0 -1 0 0.00000 4 17 79 99 519 $input_l_1_+ ./arbsrc_9167/lib/pictures/unused/demo/demo_input_3.fig0000644012664100000130000000201211213220012023021 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 259 99 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 259 699 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 339 59 339 59 39 739 39 739 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 679 159 679 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 79 $reload 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 0 18 13 0 -1 0 0.00000 4 17 64 99 199 $input_l_1 4 1 18 13 0 -1 0 0.00000 4 17 95 399 159 without 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 79 99 299 $input_l_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 95 699 299 $to:input_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 75 399 259 with 'labels' 4 2 18 13 0 -1 0 0.00000 4 17 80 679 199 $to:input_l_1 ./arbsrc_9167/lib/pictures/unused/demo/demo_input.fig0000644012664100000130000000515511213220012022612 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 279 99 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 279 699 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 279 399 339 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 479 739 199 59 199 59 479 739 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 419 719 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 399 99 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 399 399 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 399 699 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 439 719 439 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 584 99 644 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 584 699 644 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 584 399 644 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 624 719 624 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 604 719 604 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 699 99 759 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 699 399 759 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 699 699 759 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 719 719 719 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 739 719 739 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 779 739 499 59 499 59 779 739 779 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 799 759 99 39 99 39 799 759 799 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 158 399 219 Variables with type string 4 1 18 13 0 -1 0 0.00000 4 17 67 399 319 $input_c_1 4 2 18 13 0 -1 0 0.00000 4 17 65 699 319 $input_r_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 179 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 179 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 179 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 719 139 $reload 4 0 18 13 0 -1 0 0.00000 4 17 40 79 139 $close 4 0 18 13 0 -1 0 0.00000 4 17 64 99 319 $input_l_1 4 1 18 13 0 -1 0 0.00000 4 17 87 399 259 without labels 4 1 18 13 0 -1 0 0.00000 4 17 67 399 379 with labels 4 0 18 13 0 -1 0 0.00000 4 17 79 99 439 $input_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 82 399 439 $input_c_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 80 699 439 $input_r_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 190 399 519 Variables with type int or float 4 1 18 13 0 -1 0 0.00000 4 17 87 399 559 without labels 4 0 18 13 0 -1 0 0.00000 4 17 64 99 624 $input_l_2 4 1 18 13 0 -1 0 0.00000 4 17 67 399 624 $input_c_2 4 2 18 13 0 -1 0 0.00000 4 17 65 699 624 $input_r_2 4 1 18 13 0 -1 0 0.00000 4 17 67 399 679 with labels 4 2 18 13 0 -1 0 0.00000 4 17 80 699 739 $input_r_2_+ 4 1 18 13 0 -1 0 0.00000 4 17 82 399 739 $input_c_2_+ 4 0 18 13 0 -1 0 0.00000 4 17 79 99 739 $input_l_2_+ ./arbsrc_9167/lib/pictures/unused/demo/demo_label_2.fig0000644012664100000130000000216011213220012022744 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 279 99 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 539 499 539 439 259 439 259 499 539 499 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 519 739 59 59 59 59 519 739 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 239 469 559 469 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 140 399 159 Labels without 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 62 99 199 $label_l_1 4 1 18 13 0 -1 0 0.00000 4 17 120 399 279 Labels with 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 62 99 319 $label_l_2 4 1 18 13 0 -1 0 0.00000 4 17 216 399 419 Enter a text and watch the changes 4 0 18 13 0 -1 0 0.00000 4 17 73 99 139 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 79 99 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 99 $reload 4 0 18 13 0 -1 0 0.00000 4 17 39 279 479 $input 4 2 18 13 0 -1 0 0.00000 4 17 55 519 479 $to:input ./arbsrc_9167/lib/pictures/unused/demo/demo_label_3.fig0000644012664100000130000000242311213220012022747 0ustar arb_buildcoders#FIG 2.1 80 2 6 79 259 719 339 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 279 99 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 279 699 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 120 399 279 Labels with 'labels' 4 2 18 13 0 -1 0 0.00000 4 17 93 699 319 $to:label_l_1_+ 4 0 18 13 0 -1 0 0.00000 4 17 77 99 319 $label_l_1_+ -6 6 259 379 539 479 2 2 0 1 -1 0 0 0 0.000 0 0 0 539 479 539 419 259 419 259 479 539 479 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 216 399 399 Enter a text and watch the changes 4 1 18 13 0 -1 0 0.00000 4 17 39 399 459 $input -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 319 159 319 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 499 59 499 59 39 739 39 739 499 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 79 $reload 4 1 18 13 0 -1 0 0.00000 4 17 140 399 159 Labels without 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 0 18 13 0 -1 0 0.00000 4 17 62 99 199 $label_l_1 4 2 18 13 0 -1 0 0.00000 4 17 78 319 199 $to:label_l_1 ./arbsrc_9167/lib/pictures/unused/demo/demo_label.fig0000644012664100000130000000620611213220012022530 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 359 719 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 339 99 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 339 399 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 339 699 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 379 719 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 659 719 659 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 639 99 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 639 399 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 639 699 699 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 679 719 679 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 719 739 439 59 439 59 719 739 719 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 219 99 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 219 699 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 219 399 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 419 739 139 59 139 59 419 739 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 519 99 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 519 699 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 519 399 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 559 719 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 539 719 539 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 859 759 39 39 39 39 859 759 859 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 639 839 639 779 479 779 479 839 639 839 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 319 839 319 779 159 779 159 839 319 839 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 79 $reload 4 1 18 13 0 -1 0 0.00000 4 17 53 399 119 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 119 right justified 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 1 18 13 0 -1 0 0.00000 4 17 222 399 159 Labels for variables with type string 4 1 18 13 0 -1 0 0.00000 4 17 140 399 199 Labels without 'labels' 4 1 18 13 0 -1 0 0.00000 4 17 120 399 319 Labels with 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 62 99 259 $label_l_1 4 2 18 13 0 -1 0 0.00000 4 17 63 699 259 $label_r_1 4 1 18 13 0 -1 0 0.00000 4 17 65 399 259 $label_c_1 4 1 18 13 0 -1 0 0.00000 4 17 80 399 379 $label_c_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 78 699 379 $label_r_1_+ 4 0 18 13 0 -1 0 0.00000 4 17 77 99 379 $label_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 250 399 459 Labels for variables with type int or float 4 1 18 13 0 -1 0 0.00000 4 17 140 399 499 Labels without 'labels' 4 1 18 13 0 -1 0 0.00000 4 17 65 399 559 $label_c_2 4 1 18 13 0 -1 0 0.00000 4 17 120 399 619 Labels with 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 62 99 559 $label_l_2 4 2 18 13 0 -1 0 0.00000 4 17 63 699 559 $label_r_2 4 1 18 13 0 -1 0 0.00000 4 17 80 399 679 $label_c_2_+ 4 1 18 13 0 -1 0 0.00000 4 17 230 239 759 Enter a string and watch the changes 4 0 18 13 0 -1 0 0.00000 4 17 77 99 679 $label_l_2_+ 4 2 18 13 0 -1 0 0.00000 4 17 78 699 679 $label_r_2_+ 4 1 18 13 0 -1 0 0.00000 4 17 242 559 759 Enter a number and watch the changes 4 1 18 13 0 -1 0 0.00000 4 17 53 559 819 $input_2 4 0 18 13 0 -1 0 0.00000 4 17 53 179 819 $input_1 4 2 18 13 0 -1 0 0.00000 4 17 69 299 819 $to:input_1 ./arbsrc_9167/lib/pictures/unused/demo/demo_options_2.fig0000644012664100000130000000222211213220012023357 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 219 99 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 339 739 179 59 179 59 339 739 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 399 99 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 439 719 439 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 419 719 419 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 499 739 359 59 359 59 499 739 499 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 619 519 559 279 559 279 619 519 619 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 639 759 79 39 79 39 639 759 639 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 87 399 199 without labels 4 0 18 13 0 -1 0 0.00000 4 17 73 99 159 left justified 4 0 18 13 0 -1 0 0.00000 4 17 72 99 259 $option_l_1 4 0 18 13 0 -1 0 0.00000 4 17 40 79 119 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 119 $reload 4 1 18 13 0 -1 0 0.00000 4 17 67 399 379 with labels 4 0 18 13 0 -1 0 0.00000 4 17 87 99 439 $option_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 216 399 539 Enter a text and watch the changes 4 1 18 13 0 -1 0 0.00000 4 17 39 399 599 $input ./arbsrc_9167/lib/pictures/unused/demo/demo_options.fig0000644012664100000130000000330511213220012023141 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 259 99 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 259 699 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 259 399 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 339 739 219 59 219 59 339 739 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 419 719 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 399 99 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 399 399 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 399 699 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 439 719 439 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 479 739 359 59 359 59 479 739 479 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 599 519 539 279 539 279 599 519 599 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 619 759 119 39 119 39 619 759 619 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 87 399 239 without labels 4 1 18 13 0 -1 0 0.00000 4 17 75 399 299 $option_c_1 4 2 18 13 0 -1 0 0.00000 4 17 73 699 299 $option_r_1 4 0 18 13 0 -1 0 0.00000 4 17 72 99 299 $option_l_1 4 1 18 13 0 -1 0 0.00000 4 17 67 399 379 with labels 4 1 18 13 0 -1 0 0.00000 4 17 90 399 439 $option_c_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 88 699 439 $option_r_1_+ 4 0 18 13 0 -1 0 0.00000 4 17 87 99 439 $option_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 216 399 519 Enter a text and watch the changes 4 1 18 13 0 -1 0 0.00000 4 17 39 399 579 $input 4 0 18 13 0 -1 0 0.00000 4 17 73 99 199 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 199 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 199 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 719 159 $reload 4 0 18 13 0 -1 0 0.00000 4 17 40 79 159 $close ./arbsrc_9167/lib/pictures/unused/demo/demo_pictures_2.fig0000644012664100000130000000072711213220012023532 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 219 99 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 539 739 119 59 119 59 539 739 539 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 75 99 259 $picture_l_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 199 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 79 159 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 159 $reload ./arbsrc_9167/lib/pictures/unused/demo/demo_pictures.fig0000644012664100000130000000144611213220012023310 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 219 99 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 219 399 359 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 379 739 119 59 119 59 379 739 379 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 219 699 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 259 719 259 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 75 99 259 $picture_l_1 4 1 18 13 0 -1 0 0.00000 4 17 78 399 259 $picture_c_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 199 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 199 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 199 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 719 159 $reload 4 0 18 13 0 -1 0 0.00000 4 17 40 79 159 $close 4 2 18 13 0 -1 0 0.00000 4 17 76 699 259 $picture_r_1 ./arbsrc_9167/lib/pictures/unused/demo/demo_selections_2.fig0000644012664100000130000000231311213220012024035 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 459 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 459 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 399 479 139 59 139 59 399 479 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 439 99 499 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 459 459 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 479 459 479 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 679 479 419 59 419 59 679 479 679 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 379 799 379 739 139 739 139 799 379 799 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 499 819 39 819 39 39 499 39 499 819 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 88 99 199 $selection_l_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 1 18 13 0 -1 0 0.00000 4 17 87 259 159 without labels 4 0 18 13 0 -1 0 0.00000 4 17 103 99 479 $selection_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 67 259 439 with labels 4 2 18 13 0 -1 0 0.00000 4 17 46 459 79 $reload 4 1 18 13 0 -1 0 0.00000 4 17 216 259 719 Enter a text and watch the changes 4 0 18 13 0 -1 0 0.00000 4 17 39 159 779 $input 4 2 18 13 0 -1 0 0.00000 4 17 55 359 779 $to:input ./arbsrc_9167/lib/pictures/unused/demo/demo_selections_3.fig0000644012664100000130000000203511213220012024037 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 519 159 519 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 379 99 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 379 699 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 399 719 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 539 719 539 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 579 59 579 59 39 739 39 739 579 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 79 $reload 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 1 18 13 0 -1 0 0.00000 4 17 95 399 159 without 'labels' 4 1 18 13 0 -1 0 0.00000 4 17 75 399 379 with 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 88 99 199 $selection_l_1 4 0 18 13 0 -1 0 0.00000 4 17 103 99 419 $selection_l_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 119 699 539 $to:selection_l_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 104 519 299 $to:selection_l_1 ./arbsrc_9167/lib/pictures/unused/demo/demo_selections.fig0000644012664100000130000000323711213220012023622 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 259 99 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 799 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 459 99 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 439 259 439 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 439 459 439 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 479 799 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 779 259 779 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 799 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 779 459 779 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 499 799 499 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 839 759 39 759 39 119 839 119 839 759 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 819 419 819 239 59 239 59 419 819 419 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 819 619 819 439 59 439 59 619 819 619 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 579 739 579 679 299 679 299 739 579 739 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 159 $close 4 0 18 13 0 -1 0 0.00000 4 17 73 99 219 left justified 4 0 18 13 0 -1 0 0.00000 4 17 88 99 299 $selection_l_1 4 0 18 13 0 -1 0 0.00000 4 17 103 99 499 $selection_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 91 439 299 $selection_c_1 4 1 18 13 0 -1 0 0.00000 4 17 106 439 499 $selection_c_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 53 439 219 centered 4 2 18 13 0 -1 0 0.00000 4 17 89 779 299 $selection_r_1 4 2 18 13 0 -1 0 0.00000 4 17 104 779 499 $selection_r_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 83 779 219 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 799 159 $reload 4 1 18 13 0 -1 0 0.00000 4 17 216 439 659 Enter a text and watch the changes 4 0 18 13 0 -1 0 0.00000 4 17 39 319 719 $input 4 2 18 13 0 -1 0 0.00000 4 17 55 559 719 $to:input ./arbsrc_9167/lib/pictures/unused/demo/demo_string_2.fig0000644012664100000130000000063111213220012023174 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 179 99 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 379 739 79 59 79 59 379 739 379 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 57 99 219 $string_1 4 0 18 13 0 -1 0 0.00000 4 17 40 79 119 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 119 $reload 4 0 18 13 0 -1 0 0.00000 4 17 73 99 159 left justified ./arbsrc_9167/lib/pictures/unused/demo/demo_string.fig0000644012664100000130000000143511213220012022756 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 259 99 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 259 699 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 259 399 419 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 399 719 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 439 739 159 59 159 59 439 739 439 9999 9999 4 1 18 13 0 -1 0 0.00000 4 17 57 399 299 $string_2 4 2 18 13 0 -1 0 0.00000 4 17 57 699 299 $string_3 4 0 18 13 0 -1 0 0.00000 4 17 57 99 299 $string_1 4 0 18 13 0 -1 0 0.00000 4 17 73 99 239 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 239 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 239 right justified 4 2 18 13 0 -1 0 0.00000 4 17 46 719 199 $reload 4 0 18 13 0 -1 0 0.00000 4 17 40 79 199 $close ./arbsrc_9167/lib/pictures/unused/demo/demo_text_2.fig0000644012664100000130000000167211213220012022660 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 179 99 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 679 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 679 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 719 759 719 59 39 59 39 759 719 759 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 479 99 539 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 519 679 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 499 679 499 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 699 739 699 459 59 459 59 739 699 739 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 699 439 699 159 59 159 59 439 699 439 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 73 99 139 left justified 4 0 18 13 0 -1 0 0.00000 4 17 40 79 99 $close 4 0 18 13 0 -1 0 0.00000 4 17 54 99 219 $text_l_1 4 2 18 13 0 -1 0 0.00000 4 17 46 679 99 $reload 4 0 18 13 0 -1 0 0.00000 4 17 54 99 519 $text_l_2 4 1 18 13 0 -1 0 0.00000 4 17 67 359 479 with labels 4 1 18 13 0 -1 0 0.00000 4 17 87 359 179 without labels ./arbsrc_9167/lib/pictures/unused/demo/demo_text_3.fig0000644012664100000130000000200611213220012022651 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 159 99 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 519 159 519 299 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 279 719 279 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 379 99 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 379 699 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 399 719 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 539 719 539 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 579 59 579 59 39 739 39 739 579 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 79 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 79 $reload 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 1 18 13 0 -1 0 0.00000 4 17 95 399 159 without 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 54 99 199 $text_l_1 4 2 18 13 0 -1 0 0.00000 4 17 70 519 279 $to:text_l_1 4 1 18 13 0 -1 0 0.00000 4 17 75 399 379 with 'labels' 4 0 18 13 0 -1 0 0.00000 4 17 69 99 419 $text_l_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 85 699 539 $to:text_l_1_+ ./arbsrc_9167/lib/pictures/unused/demo/demo_text.fig0000644012664100000130000000275111213220012022436 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 279 99 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 319 719 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 279 399 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 279 699 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 299 719 299 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 439 739 239 59 239 59 439 739 439 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 539 719 539 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 519 719 519 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 499 99 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 499 399 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 499 699 559 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 659 739 459 59 459 59 659 739 659 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 679 759 139 39 139 39 679 759 679 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 54 99 319 $text_l_1 4 1 18 13 0 -1 0 0.00000 4 17 57 399 319 $text_c_1 4 2 18 13 0 -1 0 0.00000 4 17 55 699 319 $text_r_1 4 1 18 13 0 -1 0 0.00000 4 17 87 399 259 without labels 4 0 18 13 0 -1 0 0.00000 4 17 73 99 219 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 219 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 219 right justified 4 0 18 13 0 -1 0 0.00000 4 17 69 99 539 $text_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 72 399 539 $text_c_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 70 699 539 $text_r_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 67 399 479 with labels 4 0 18 13 0 -1 0 0.00000 4 17 40 79 174 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 179 $reload ./arbsrc_9167/lib/pictures/unused/demo/demo_toggles_2.fig0000644012664100000130000000222011213220012023326 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 179 99 399 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 719 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 419 739 159 59 159 59 419 739 419 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 819 759 59 39 59 39 819 759 819 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 459 99 679 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 479 719 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 499 719 499 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 699 739 439 59 439 59 699 739 699 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 799 519 739 279 739 279 799 519 799 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 99 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 99 $reload 4 1 18 13 0 -1 0 0.00000 4 17 87 399 179 without labels 4 0 18 13 0 -1 0 0.00000 4 17 73 99 139 left justified 4 0 18 13 0 -1 0 0.00000 4 17 71 99 219 $toggle_l_1 4 1 18 13 0 -1 0 0.00000 4 17 67 399 459 with labels 4 0 18 13 0 -1 0 0.00000 4 17 86 99 499 $toggle_l_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 216 399 719 Enter a text and watch the changes 4 1 18 13 0 -1 0 0.00000 4 17 39 399 779 $input ./arbsrc_9167/lib/pictures/unused/demo/demo_toggles.fig0000644012664100000130000000330111213220012023106 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 199 99 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 199 699 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 199 399 339 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 239 719 239 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 219 719 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 419 399 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 459 719 459 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 419 99 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 699 419 699 559 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 439 719 439 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 359 739 159 59 159 59 359 739 359 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 579 739 379 59 379 59 579 739 579 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 699 519 639 279 639 279 699 519 699 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 759 719 759 59 39 59 39 719 759 719 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 40 79 99 $close 4 2 18 13 0 -1 0 0.00000 4 17 46 719 99 $reload 4 1 18 13 0 -1 0 0.00000 4 17 53 399 139 centered 4 2 18 13 0 -1 0 0.00000 4 17 83 699 139 right justified 4 0 18 13 0 -1 0 0.00000 4 17 73 99 139 left justified 4 1 18 13 0 -1 0 0.00000 4 17 87 399 179 without labels 4 1 18 13 0 -1 0 0.00000 4 17 67 399 399 with labels 4 0 18 13 0 -1 0 0.00000 4 17 71 99 239 $toggle_l_1 4 1 18 13 0 -1 0 0.00000 4 17 74 399 239 $toggle_c_1 4 2 18 13 0 -1 0 0.00000 4 17 72 699 239 $toggle_r_1 4 1 18 13 0 -1 0 0.00000 4 17 89 399 459 $toggle_c_1_+ 4 0 18 13 0 -1 0 0.00000 4 17 86 99 459 $toggle_l_1_+ 4 2 18 13 0 -1 0 0.00000 4 17 87 699 459 $toggle_r_1_+ 4 1 18 13 0 -1 0 0.00000 4 17 216 399 619 Enter a text and watch the changes 4 1 18 13 0 -1 0 0.00000 4 17 39 399 679 $input ./arbsrc_9167/lib/pictures/unused/demo/dm.fig0000644012664100000130000000116711213220012021046 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 159 719 159 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 179 719 179 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 199 719 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 99 139 99 479 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 399 139 399 479 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 739 499 739 19 59 19 59 499 739 499 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 73 99 119 left justified 4 1 18 13 0 -1 0 0.00000 4 17 53 399 119 centered 4 0 18 13 0 -1 0 0.00000 4 17 40 99 59 $close 4 0 18 13 0 -1 0 0.00000 4 14 50 99 179 $button1 4 1 18 13 0 -1 0 0.00000 4 14 50 399 179 $button2 ./arbsrc_9167/lib/pictures/unused/duplicates.fig0000644012664100000130000001352511213220012021660 0ustar arb_buildcoders#FIG 2.1 80 2 6 74 124 1029 394 6 349 124 629 144 2 2 0 1 -1 0 0 0 0.000 0 0 0 629 144 629 124 349 124 349 144 629 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 369 124 369 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 389 124 389 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 409 124 409 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 429 124 429 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 569 124 569 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 589 124 589 144 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 609 124 609 144 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 484 139 ... -6 6 74 199 354 219 2 2 0 1 -1 0 0 0 0.000 0 0 0 354 219 354 199 74 199 74 219 354 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 94 199 94 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 114 199 114 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 134 199 134 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 154 199 154 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 294 199 294 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 314 199 314 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 334 199 334 219 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 209 214 ... -6 6 419 199 699 219 2 2 0 1 -1 0 0 0 0.000 0 0 0 699 219 699 199 419 199 419 219 699 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 439 199 439 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 459 199 459 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 479 199 479 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 499 199 499 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 639 199 639 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 659 199 659 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 679 199 679 219 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 554 214 ... -6 6 739 199 1019 219 2 2 0 1 -1 0 0 0 0.000 0 0 0 1019 219 1019 199 739 199 739 219 1019 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 759 199 759 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 779 199 779 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 799 199 799 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 819 199 819 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 959 199 959 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 979 199 979 219 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 999 199 999 219 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 874 214 ... -6 6 124 304 404 324 2 2 0 1 -1 0 0 0 0.000 0 0 0 404 324 404 304 124 304 124 324 404 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 144 304 144 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 164 304 164 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 184 304 184 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 204 304 204 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 344 304 344 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 364 304 364 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 384 304 384 324 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 259 319 ... -6 6 449 304 729 324 2 2 0 1 -1 0 0 0 0.000 0 0 0 729 324 729 304 449 304 449 324 729 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 469 304 469 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 489 304 489 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 509 304 509 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 529 304 529 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 669 304 669 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 689 304 689 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 709 304 709 324 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 584 319 ... -6 6 749 304 1029 324 2 2 0 1 -1 0 0 0 0.000 0 0 0 1029 324 1029 304 749 304 749 324 1029 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 769 304 769 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 789 304 789 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 809 304 809 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 829 304 829 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 969 304 969 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 989 304 989 324 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 1009 304 1009 324 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 12 884 319 ... -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 184 394 184 374 164 374 164 394 184 394 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 259 394 259 374 239 374 239 394 259 394 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 854 394 854 374 834 374 834 394 854 394 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 499 394 499 374 479 374 479 394 499 394 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 379 144 304 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 144 219 154 304 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 174 324 174 374 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 349 324 254 374 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 584 144 494 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 494 219 499 304 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 484 324 489 374 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 604 144 784 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 794 219 799 304 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 1 0 0 0 1.000 4.000 8.000 819 324 844 374 9999 9999 -6 2 1 0 1 -1 0 0 0 0.000 7 0 0 74 194 79 189 179 189 184 184 189 189 349 189 354 194 9999 9999 4 0 18 12 0 -1 0 0.00000 4 15 277 344 59 GenerationDuplicates fuer 3-er Kombinationen 4 0 18 12 0 -1 0 0.00000 4 15 26 314 139 next 4 0 18 12 0 -1 0 0.00000 4 15 26 44 214 next 4 0 18 12 0 -1 0 0.00000 4 15 26 94 319 next 4 0 18 12 0 -1 0 0.00000 4 15 26 134 389 next 4 0 18 12 0 -1 0 0.00000 4 15 26 209 389 next 4 0 18 12 0 -1 0 0.00000 4 15 26 389 214 next 4 0 18 12 0 -1 0 0.00000 4 15 26 709 214 next 4 0 18 12 0 -1 0 0.00000 4 15 26 419 319 next 4 0 18 12 0 -1 0 0.00000 4 15 26 449 389 next 4 0 18 12 0 -1 0 0.00000 4 15 26 804 389 next 4 0 18 12 0 -1 0 0.00000 4 15 26 1034 319 next 4 0 18 12 0 -1 0 0.00000 4 15 64 159 174 intern_size 4 0 18 12 0 -1 0 0.00000 4 15 778 99 474 Auf die Positionen in den next-Feldern wird ueber den entsprechenden Index aus dem Sondenarray von ProbeValuation zugegriffen. ./arbsrc_9167/lib/pictures/unused/ed_align.fig0000644012664100000130000000275711213220012021272 0ustar arb_buildcoders#FIG 2.1 80 2 6 34 329 124 369 2 1 0 1 -1 0 0 0 0.000 -1 0 0 34 369 74 329 74 369 79 369 79 329 99 329 99 344 89 344 104 369 104 329 124 329 124 344 114 349 124 354 124 369 124 364 9999 9999 -6 6 194 319 404 379 2 2 0 1 -1 0 0 0 0.000 0 0 0 399 374 199 374 199 324 399 324 399 374 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 404 379 404 319 194 319 194 379 404 379 9999 9999 4 1 18 16 0 -1 0 0.00000 4 19 46 299 359 $align -6 2 2 0 1 -1 0 0 0 0.000 0 0 0 564 399 19 399 19 39 564 39 564 399 9999 9999 2 2 0 1 -1 0 0 0 0.000 7 0 0 534 289 44 289 44 179 534 179 534 289 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 404 144 194 144 194 94 404 94 404 144 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 499 129 499 94 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 499 94 489 109 9999 9999 2 1 0 2 -1 0 0 0 0.000 -1 0 0 499 94 509 109 9999 9999 4 0 18 16 0 -1 0 0.00000 4 19 50 39 74 $close 4 0 18 14 0 -1 0 0.00000 4 17 129 64 209 Search relatives in 4 2 18 16 0 -1 0 0.00000 4 19 81 519 209 $pt_server 4 2 18 16 0 -1 0 0.00000 4 19 104 519 244 $mark_profile 4 2 18 16 0 -1 0 0.00000 4 19 73 519 279 $use_self 4 1 0 18 0 -1 0 0.00000 4 21 45 89 129 $open 4 1 18 14 0 -1 0 0.00000 4 17 65 499 79 $specials 4 1 -1 16 0 0 0 0.00000 4 18 53 299 129 $species 4 0 18 10 0 -1 0 0.00000 4 13 80 459 144 for experts only 4 1 18 16 0 -1 0 0.00000 4 21 145 299 79 Sequence to Align: 4 0 18 14 0 -1 0 0.00000 4 19 133 64 244 Mark used relatives 4 0 18 14 0 -1 0 0.00000 4 19 285 64 279 Should your sequence be used for profile ./arbsrc_9167/lib/pictures/unused/findcorr/bc_bgprocess.fig0000644012664100000130000000136211213220012023760 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 429 279 429 79 39 79 39 279 429 279 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 409 239 409 109 59 109 59 239 409 239 9999 9999 4 1 18 13 0 -1 0 0.00000 4 15 31 239 104 $info 4 0 18 13 0 -1 0 0.00000 4 15 40 59 269 $close 4 0 18 13 0 -1 0 0.00000 4 15 105 79 139 Saving results in 4 2 18 13 0 -1 0 0.00000 4 15 59 339 144 $resultdir 4 2 18 13 0 -1 0 0.00000 4 15 49 399 144 $results 4 0 18 13 0 -1 0 0.00000 4 15 76 79 179 $foreground 4 2 18 13 0 -1 0 0.00000 4 15 81 399 179 $background 4 1 18 13 0 -1 0 0.00000 4 15 74 239 179 Calculation  ./arbsrc_9167/lib/pictures/unused/findcorr/bc_ccheck.fig0000644012664100000130000000224611213220012023213 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 79 79 9999 9999 2 3 0 1 -1 0 0 0 0.000 -1 0 0 99 119 574 119 99 119 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 589 289 589 79 89 79 89 289 589 289 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 54 99 104 Basepair 4 0 18 13 0 -1 0 0.00000 4 15 4 154 104 : 4 1 18 13 0 -1 0 0.00000 4 15 30 229 103 $row 4 1 18 13 0 -1 0 0.00000 4 17 54 275 103 $column 4 1 18 13 0 -1 0 0.00000 4 15 41 193 108 $down 4 1 18 13 0 -1 0 0.00000 4 15 23 312 107 $up 4 2 18 13 0 -1 0 0.00000 4 15 60 574 105 $measure 4 0 18 13 0 -1 0 0.00000 4 15 4 229 199 : 4 0 18 13 0 -1 0 0.00000 4 15 112 119 159 corr. significance: 4 0 18 13 0 -1 0 0.00000 4 15 110 119 219 entropy strength:  4 0 18 13 0 -1 0 0.00000 4 15 34 339 159 $sign 4 0 18 13 0 -1 0 0.00000 4 15 57 339 179 $pearson 4 0 18 13 0 -1 0 0.00000 4 15 50 339 199 $cramer 4 0 18 13 0 -1 0 0.00000 4 15 54 339 219 $entropy 4 0 18 13 0 -1 0 0.00000 4 15 134 119 179 corr. coeff. (Pearson): 4 0 18 13 0 -1 0 0.00000 4 15 128 119 199 corr. coeff. (Cramer): 4 0 18 13 0 -1 0 0.00000 4 15 42 119 159 $result 4 2 18 13 0 -1 0 0.00000 4 15 58 574 259 $to:result 4 0 18 13 0 -1 0 0.00000 4 15 40 99 284 $close ./arbsrc_9167/lib/pictures/unused/findcorr/bc_fa.fig0000644012664100000130000000273311440743000022373 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 174 209 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 174 209 174 209 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 176 167 176 189 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 176 99 176 124 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 559 99 559 69 149 69 149 99 559 99 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 177 239 177 249 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 559 239 559 189 149 189 149 239 559 239 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 559 299 559 249 149 249 149 299 559 299 9999 9999 2 3 0 1 -1 0 0 0 0.000 -1 0 0 229 125 559 125 559 165 204 165 229 125 229 125 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 149 124 203 124 176 166 149 124 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 569 359 569 39 139 39 139 359 569 359 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 98 159 89 Standardization 4 2 18 13 0 -1 0 0.00000 4 15 74 549 94 $ztrafo_orig 4 0 18 13 0 -1 0 0.00000 4 15 172 159 219 z-Transformation of factors 4 2 18 13 0 -1 0 0.00000 4 15 42 549 209 $ztrafo 4 0 18 14 0 -1 0 0.00000 4 16 120 160 279 Rotation of factors 4 2 18 14 0 -1 0 0.00000 4 16 58 548 269 $rotation 4 0 18 13 0 -1 0 0.00000 4 15 16 459 289 no 4 0 18 13 0 -1 0 0.00000 4 15 21 459 264 yes 4 0 18 13 0 -1 0 0.00000 4 15 21 459 204 yes 4 0 18 13 0 -1 0 0.00000 4 15 16 459 229 no 4 0 18 13 0 -1 0 0.00000 4 15 27 162 143 BCA 4 0 18 13 0 -1 0 0.00000 4 17 47 249 154 $option 4 2 18 13 0 -1 0 0.00000 4 17 40 549 154 $value 4 0 18 13 0 -1 0 0.00000 4 17 40 149 349 $close ./arbsrc_9167/lib/pictures/unused/findcorr/bc_fat.fig0000644012664100000130000000364511440743000022562 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 489 559 489 99 59 99 59 559 489 559 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 514 599 514 64 34 64 34 599 514 599 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 469 374 469 314 229 314 229 374 469 374 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 124 79 339 factor room rotation 4 0 18 13 0 -1 0 0.00000 4 15 97 239 139 $factor_number 4 0 18 13 0 -1 0 0.00000 4 15 52 239 179 $min_ev 4 0 18 13 0 -1 0 0.00000 4 15 42 239 219 $ztrafo 4 0 18 13 0 -1 0 0.00000 4 15 88 239 259 $max_ev_sum 4 0 18 13 0 -1 0 0.00000 4 15 111 239 299 $min_comm_sum 4 0 18 13 0 -1 0 0.00000 4 15 104 79 219 Z-Tranformation 4 0 18 13 0 -1 0 0.00000 4 15 111 79 139 Number of factors 4 0 18 13 0 -1 0 0.00000 4 15 76 79 179 Eigenvalues 4 0 18 13 0 -1 0 0.00000 4 15 77 79 239 Maximum of 4 0 18 13 0 -1 0 0.00000 4 15 134 79 259 summed Eigenvalues 4 0 18 13 0 -1 0 0.00000 4 15 92 79 299 commonalities 4 0 18 13 0 -1 0 0.00000 4 15 79 79 159 Minimum of  4 0 18 13 0 -1 0 0.00000 4 15 137 79 279 Minimum of summed  4 0 18 13 0 -1 0 0.00000 4 17 101 79 419 dataset filename 4 0 18 13 0 -1 0 0.00000 4 17 92 79 459 result filename 4 0 18 13 0 -1 0 0.00000 4 17 116 79 499 sequence filename 4 0 18 13 0 -1 0 0.00000 4 17 108 79 539 position filename 4 0 18 13 0 -1 0 0.00000 4 17 45 239 419 $datfile 4 0 18 13 0 -1 0 0.00000 4 17 45 239 459 $resfile 4 0 18 13 0 -1 0 0.00000 4 17 48 239 499 $seqfile 4 0 18 13 0 -1 0 0.00000 4 17 49 239 539 $posfile 4 1 18 13 0 -1 0 0.00000 4 15 31 279 89 $info 4 0 18 13 0 -1 0 0.00000 4 15 40 59 584 $close 4 0 18 13 0 -1 0 0.00000 4 15 73 239 364 rot.distance 4 0 18 13 0 -1 0 0.00000 4 15 55 239 344 rot.angle 4 0 18 13 0 -1 0 0.00000 4 15 114 339 364 $rotation_distance 4 0 18 13 0 -1 0 0.00000 4 15 96 339 344 $rotation_angle ./arbsrc_9167/lib/pictures/unused/findcorr/bc_hydro.fig0000644012664100000130000000040511213220012023113 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 259 259 259 119 39 119 39 259 259 259 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 162 59 149 hydrogen bonds to record 4 0 18 13 0 -1 0 0.00000 4 17 79 59 179 $strongbond 4 0 18 13 0 -1 0 0.00000 4 17 40 59 249 $close ./arbsrc_9167/lib/pictures/unused/findcorr/bc_noise.fig0000644012664100000130000000221711213220012023106 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 399 359 399 39 99 39 99 359 399 359 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 79 119 59 What to do ? 4 0 18 13 0 -1 0 0.00000 4 15 45 119 99 Deviate 4 0 18 13 0 -1 0 0.00000 4 15 27 139 139 Data 4 0 18 12 0 -1 0 0.00000 4 15 21 279 164 yes 4 0 18 13 0 -1 0 0.00000 4 15 111 139 174 Main components 4 0 18 13 0 -1 0 0.00000 4 15 88 119 249 with following 4 0 18 13 0 -1 0 0.00000 4 15 106 139 289 relative deviation 4 0 18 13 0 -1 0 0.00000 4 15 114 139 339 absolute deviation 4 0 18 13 0 -1 0 0.00000 4 15 13 119 314 or 4 2 18 13 0 -1 0 0.00000 4 15 80 379 294 $reldeviation 4 2 18 13 0 -1 0 0.00000 4 15 86 379 344 $absdeviation 4 2 18 13 0 -1 0 0.00000 4 15 55 379 179 $destfact 4 2 18 13 0 -1 0 0.00000 4 15 59 379 144 $destdata 4 0 18 12 0 -1 0 0.00000 4 15 21 279 129 yes 4 0 18 12 0 -1 0 0.00000 4 15 14 279 149 no 4 0 18 12 0 -1 0 0.00000 4 15 14 279 184 no 4 0 18 13 0 -1 0 0.00000 4 15 60 139 214 Distances 4 2 18 13 0 -1 0 0.00000 4 15 56 379 219 $destdist 4 0 18 12 0 -1 0 0.00000 4 15 14 279 224 no 4 0 18 12 0 -1 0 0.00000 4 15 21 279 204 yes 4 2 18 13 0 -1 0 0.00000 4 15 40 379 64 $close ./arbsrc_9167/lib/pictures/unused/findcorr/bc_overview.fig0000644012664100000130000000121511213220012023634 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 514 399 514 64 34 64 34 399 514 399 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 49 389 $close 4 2 18 13 0 -1 0 0.00000 4 15 45 499 359 $to:text 4 0 18 13 0 -1 0 0.00000 4 15 33 49 94 $data 4 1 18 13 0 -1 0 0.00000 4 15 74 269 94 $covariance 4 2 18 13 0 -1 0 0.00000 4 17 77 499 94 $transmatrix 4 0 18 13 0 -1 0 0.00000 4 15 29 49 119 $text 4 1 18 13 0 -1 0 0.00000 4 15 84 179 94 $components 4 1 18 13 0 -1 0 0.00000 4 15 38 364 94 $trans ./arbsrc_9167/lib/pictures/unused/findcorr/bc_ovrview.fig0000644012664100000130000000215411213220012023472 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 514 399 514 64 34 64 34 399 514 399 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 93 49 99 Plain Datatable 4 0 18 13 0 -1 0 0.00000 4 17 214 49 139 Principal components of Datatable 4 0 18 13 0 -1 0 0.00000 4 17 146 49 179 Covariance of Datatable 4 2 18 13 0 -1 0 0.00000 4 17 33 499 104 $data 4 2 18 13 0 -1 0 0.00000 4 17 84 499 144 $components 4 2 18 13 0 -1 0 0.00000 4 17 74 499 184 $covariance 4 2 18 13 0 -1 0 0.00000 4 17 38 499 224 $trans 4 2 18 13 0 -1 0 0.00000 4 17 77 499 264 $transmatrix 4 0 18 13 0 -1 0 0.00000 4 15 215 49 259 Base Factor Transformation matrix 4 0 18 13 0 -1 0 0.00000 4 15 146 49 219 Base Factor Covariance 4 0 18 13 0 -1 0 0.00000 4 15 204 49 299 Verbose on internal environment 4 2 18 13 0 -1 0 0.00000 4 15 56 499 299 $verbose 4 2 18 13 0 -1 0 0.00000 4 15 44 499 339 $round 4 0 18 13 0 -1 0 0.00000 4 15 102 49 339 Rounding errors 4 0 18 13 0 -1 0 0.00000 4 15 40 49 384 $close ./arbsrc_9167/lib/pictures/unused/findcorr/bc_plot.fig0000644012664100000130000000061411213220012022746 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 484 314 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 484 314 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 4 79 79 . 4 0 18 13 0 -1 0 0.00000 4 17 4 949 844 . 4 0 18 13 0 -1 0 0.00000 4 17 33 79 99 $data 4 0 18 13 0 -1 0 0.00000 4 17 31 299 99 $plot 4 2 18 13 0 -1 0 0.00000 4 17 42 899 99 $range 4 2 18 13 0 -1 0 0.00000 4 17 93 854 94 scale divisions ./arbsrc_9167/lib/pictures/unused/findcorr/bc_rank66.fig0000644012664100000130000000472311213220012023104 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 39 39 39 39 39 39 39 39 39 39 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 59 99 59 99 59 99 59 99 59 99 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 359 359 359 9 29 9 29 359 359 359 9999 9999 4 1 18 13 0 -1 0 0.00000 4 15 9 74 134 C 4 1 18 13 0 -1 0 0.00000 4 15 10 74 174 G 4 1 18 13 0 -1 0 0.00000 4 15 9 74 214 U 4 1 18 13 0 -1 0 0.00000 4 15 21 109 99 $aa 4 1 18 13 0 -1 0 0.00000 4 15 23 229 219 $uu 4 1 18 13 0 -1 0 0.00000 4 15 9 149 59 C 4 1 18 13 0 -1 0 0.00000 4 15 10 189 59 G 4 1 18 13 0 -1 0 0.00000 4 15 9 229 59 U 4 1 18 13 0 -1 0 0.00000 4 15 4 269 59 . 4 1 18 13 0 -1 0 0.00000 4 15 8 309 59 - 4 1 18 13 0 -1 0 0.00000 4 15 23 189 179 $gg 4 1 18 13 0 -1 0 0.00000 4 15 22 189 99 $ag 4 1 18 13 0 -1 0 0.00000 4 15 22 229 99 $au 4 1 18 13 0 -1 0 0.00000 4 15 18 269 99 $a. 4 1 18 13 0 -1 0 0.00000 4 15 22 309 99 $a- 4 1 18 13 0 -1 0 0.00000 4 15 21 109 139 $ca 4 1 18 13 0 -1 0 0.00000 4 15 22 189 139 $cg 4 1 18 13 0 -1 0 0.00000 4 15 22 229 139 $cu 4 1 18 13 0 -1 0 0.00000 4 15 18 269 139 $c. 4 1 18 13 0 -1 0 0.00000 4 15 22 309 139 $c- 4 1 18 13 0 -1 0 0.00000 4 15 22 109 179 $ga 4 1 18 13 0 -1 0 0.00000 4 15 22 149 179 $gc 4 1 18 13 0 -1 0 0.00000 4 15 23 229 179 $gu 4 1 18 13 0 -1 0 0.00000 4 15 19 269 179 $g. 4 1 18 13 0 -1 0 0.00000 4 15 23 309 179 $g- 4 1 18 13 0 -1 0 0.00000 4 15 22 109 219 $ua 4 1 18 13 0 -1 0 0.00000 4 15 22 149 219 $uc 4 1 18 13 0 -1 0 0.00000 4 15 23 189 219 $ug 4 1 18 13 0 -1 0 0.00000 4 15 19 269 219 $u. 4 1 18 13 0 -1 0 0.00000 4 15 23 309 219 $u- 4 1 18 13 0 -1 0 0.00000 4 15 19 189 259 $.g 4 1 18 13 0 -1 0 0.00000 4 15 19 229 259 $.u 4 1 18 13 0 -1 0 0.00000 4 15 15 269 259 $.. 4 1 18 13 0 -1 0 0.00000 4 15 19 309 259 $.- 4 1 18 13 0 -1 0 0.00000 4 15 22 109 299 $-a 4 1 18 13 0 -1 0 0.00000 4 15 22 149 299 $-c 4 1 18 13 0 -1 0 0.00000 4 15 23 189 299 $-g 4 1 18 13 0 -1 0 0.00000 4 15 23 229 299 $-u 4 1 18 13 0 -1 0 0.00000 4 15 8 74 294 - 4 1 18 13 0 -1 0 0.00000 4 15 4 74 254 . 4 1 18 13 0 -1 0 0.00000 4 15 19 269 299 $-. 4 1 18 13 0 -1 0 0.00000 4 15 23 309 299 $-- 4 0 18 13 0 -1 0 0.00000 4 15 222 39 29 Give Value / Rank for each Basepair 4 0 18 13 0 -1 0 0.00000 4 17 40 39 349 $close 4 1 18 13 0 -1 0 0.00000 4 15 13 77 94 A  4 1 18 13 0 -1 0 0.00000 4 15 13 111 59 A  4 1 18 13 0 -1 0 0.00000 4 15 18 109 259 $.a 4 1 18 13 0 -1 0 0.00000 4 15 18 149 259 $.c 4 1 18 13 0 -1 0 0.00000 4 15 21 149 99 $ac 4 1 18 13 0 -1 0 0.00000 4 15 21 149 139 $cc ./arbsrc_9167/lib/pictures/unused/findcorr/bc_rank.fig0000644012664100000130000000154611213220012022730 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 39 39 39 39 39 39 39 39 39 39 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 59 99 59 99 59 99 59 99 59 99 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 179 239 39 19 39 19 179 239 179 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 183 39 59 Give value/rank for each base 4 0 18 13 0 -1 0 0.00000 4 17 9 79 99 C 4 0 18 13 0 -1 0 0.00000 4 17 13 79 79 A  4 0 18 13 0 -1 0 0.00000 4 17 9 79 139 U 4 0 18 13 0 -1 0 0.00000 4 17 10 79 119 G 4 0 18 13 0 -1 0 0.00000 4 17 40 39 169 $close 4 0 18 13 0 -1 0 0.00000 4 17 8 109 99 = 4 0 18 13 0 -1 0 0.00000 4 17 8 109 79 = 4 0 18 13 0 -1 0 0.00000 4 17 8 109 119 = 4 0 18 13 0 -1 0 0.00000 4 17 8 109 139 = 4 2 18 13 0 -1 0 0.00000 4 17 14 199 84 $a 4 2 18 13 0 -1 0 0.00000 4 17 14 199 104 $c 4 2 18 13 0 -1 0 0.00000 4 17 15 199 124 $g 4 2 18 13 0 -1 0 0.00000 4 17 15 199 144 $u ./arbsrc_9167/lib/pictures/unused/findcorr/bc_start.fig0000644012664100000130000000137311213220012023130 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 259 189 259 54 44 54 44 189 259 189 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 354 189 354 54 264 54 264 189 354 189 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 359 194 359 29 39 29 39 194 359 194 9999 9999 4 1 18 13 0 -1 0 0.00000 4 15 81 309 139 $background 4 1 18 13 0 -1 0 0.00000 4 15 76 309 114 $foreground 4 1 18 13 0 -1 0 0.00000 4 15 40 309 164 $close 4 2 18 13 0 -1 0 0.00000 4 15 46 254 184 $to:box 4 0 18 13 0 -1 0 0.00000 4 15 30 49 114 $box 4 0 18 13 0 -1 0 0.00000 4 15 105 49 49 Saving results in 4 0 18 13 0 -1 0 0.00000 4 15 70 264 49 Calculation 4 2 18 13 0 -1 0 0.00000 4 15 35 254 84 $filter 4 0 18 13 0 -1 0 0.00000 4 15 62 49 84 $directory 4 0 18 13 0 -1 0 0.00000 4 15 67 49 84 $file_name ./arbsrc_9167/lib/pictures/unused/findcorr/bc_surface.fig0000644012664100000130000000067011213220012023422 0ustar arb_buildcoders#FIG 2.1 80 2 2 1 0 1 -1 0 0 0 0.000 -1 0 0 484 314 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 484 314 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 94 104 $close 4 1 18 13 0 -1 0 0.00000 4 17 35 639 104 $bold 4 1 18 13 0 -1 0 0.00000 4 17 39 564 104 $color 4 1 18 13 0 -1 0 0.00000 4 17 42 484 104 $range 4 0 18 13 0 -1 0 0.00000 4 17 33 224 104 $data 4 0 18 13 0 -1 0 0.00000 4 17 4 79 79 . 4 0 18 13 0 -1 0 0.00000 4 17 4 699 704 . ./arbsrc_9167/lib/pictures/unused/findcorr/bc_verb2.fig0000644012664100000130000000143611440743000023024 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 429 279 429 79 39 79 39 279 429 279 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 409 239 409 109 59 109 59 239 409 239 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 115 79 139 additional verbose 4 0 18 13 0 -1 0 0.00000 4 17 21 279 139 yes 4 2 18 13 0 -1 0 0.00000 4 17 56 384 144 $verbose 4 1 18 13 0 -1 0 0.00000 4 15 31 239 104 $info 4 0 18 13 0 -1 0 0.00000 4 15 40 59 269 $close 4 0 18 13 0 -1 0 0.00000 4 17 16 279 169 no 4 0 18 13 0 -1 0 0.00000 4 17 179 79 199 additional commented output 4 0 18 13 0 -1 0 0.00000 4 17 20 259 199 on 4 2 18 13 0 -1 0 0.00000 4 17 65 384 229 $comment ./arbsrc_9167/lib/pictures/unused/findcorr/bc_verb.fig0000644012664100000130000000274011440743000022741 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 389 379 389 199 90 199 90 379 389 379 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 409 399 409 94 60 94 60 399 409 399 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 429 439 429 39 39 39 39 439 429 439 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 80 99 279 (factor room) 4 0 18 13 0 -1 0 0.00000 4 17 123 99 319 (factors/parameters) 4 0 18 13 0 -1 0 0.00000 4 17 107 99 239 (parameter room) 4 0 18 13 0 -1 0 0.00000 4 17 73 99 264 data matrix  4 0 18 13 0 -1 0 0.00000 4 17 103 99 224 covariance matrix 4 0 18 13 0 -1 0 0.00000 4 17 74 99 304 covariances 4 0 18 13 0 -1 0 0.00000 4 17 148 99 344 transformation matrices 4 0 18 13 0 -1 0 0.00000 4 17 146 99 359 (factor/parameter room) 4 0 18 13 0 -1 0 0.00000 4 17 29 319 239 $cov 4 0 18 13 0 -1 0 0.00000 4 17 33 319 279 $data 4 0 18 13 0 -1 0 0.00000 4 17 38 319 319 $trans 4 0 18 13 0 -1 0 0.00000 4 17 77 319 359 $transmatrix 4 0 18 13 0 -1 0 0.00000 4 15 40 59 429 $close 4 1 18 13 0 -1 0 0.00000 4 15 31 239 89 $info 4 0 18 13 0 -1 0 0.00000 4 17 179 79 184 additional commented output 4 0 18 13 0 -1 0 0.00000 4 17 56 319 144 $verbose 4 0 18 13 0 -1 0 0.00000 4 17 115 79 139 additional verbose 4 0 18 13 0 -1 0 0.00000 4 17 64 319 189 $complete 4 0 18 13 0 -1 0 0.00000 4 17 21 279 139 yes 4 0 18 13 0 -1 0 0.00000 4 17 16 279 159 no ./arbsrc_9167/lib/pictures/unused/findcorr/bc_window.fig0000644012664100000130000000762111213220012023304 0ustar arb_buildcoders#FIG 2.1 80 2 6 114 454 124 484 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 454 119 484 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 114 474 119 484 124 474 9999 9999 -6 6 114 204 124 234 2 1 0 1 -1 0 0 0 0.000 -1 0 0 114 224 119 234 124 224 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 204 119 234 9999 9999 -6 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 319 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 444 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 444 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 399 119 419 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 289 199 289 94 79 94 79 199 289 199 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 289 119 269 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 369 119 349 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 269 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 524 404 524 369 74 369 74 404 524 404 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 349 156 290 80 290 119 349 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 114 359 119 369 124 359 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 114 279 119 289 124 279 9999 9999 2 3 0 1 -1 0 0 0 0.000 -1 0 0 179 299 524 299 524 339 154 339 179 299 179 299 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 524 454 524 419 74 419 74 454 524 454 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 114 409 119 419 124 409 9999 9999 2 1 0 1 -1 0 0 0 0.000 -1 0 0 119 419 119 404 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 519 199 519 94 294 94 294 199 519 199 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 319 659 319 484 74 484 74 659 319 659 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 524 659 524 484 334 484 334 659 524 659 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 524 269 524 234 74 234 74 269 524 269 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 524 204 524 89 74 89 74 204 524 204 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 539 694 539 34 59 34 59 694 539 694 9999 9999 4 2 18 13 0 -1 0 0.00000 4 15 23 524 74 $go 4 0 18 13 0 -1 0 0.00000 4 17 40 74 74 $close 4 2 18 13 0 -1 0 0.00000 4 17 129 279 199 $to:which_alignment 4 0 18 13 0 -1 0 0.00000 4 17 113 84 139 $which_alignment 4 0 18 13 0 -1 0 0.00000 4 17 81 299 264 $which_table 4 0 18 13 0 -1 0 0.00000 4 15 27 104 319 BCA 4 2 18 13 0 -1 0 0.00000 4 15 85 519 329 $factor_select 4 0 18 13 0 -1 0 0.00000 4 15 160 181 326 Base Correlation Analysis 4 2 18 13 0 -1 0 0.00000 4 15 43 519 446 $check 4 0 18 13 0 -1 0 0.00000 4 15 97 99 394 Correlation plot 4 0 18 13 0 -1 0 0.00000 4 15 174 99 444 Statistical Correlation check 4 2 18 13 0 -1 0 0.00000 4 15 31 519 397 $plot 4 2 18 13 0 -1 0 0.00000 4 15 78 514 194 $filter_select 4 0 18 13 0 -1 0 0.00000 4 15 34 74 689 $load 4 0 18 13 0 -1 0 0.00000 4 15 62 79 651 $directory 4 2 18 13 0 -1 0 0.00000 4 15 35 314 651 $filter 4 0 18 13 0 -1 0 0.00000 4 17 79 300 194 $which_filter 4 0 18 13 0 -1 0 0.00000 4 15 45 79 506 Dataset 4 2 18 13 0 -1 0 0.00000 4 15 67 313 510 $file_name 4 0 18 13 0 -1 0 0.00000 4 15 30 79 540 $box 4 2 18 13 0 -1 0 0.00000 4 15 46 314 632 $to:box 4 0 18 13 0 -1 0 0.00000 4 15 64 84 112 Alignment 4 2 18 13 0 -1 0 0.00000 4 15 54 514 139 $species 4 0 18 13 0 -1 0 0.00000 4 15 91 339 651 $project_name 4 0 18 13 0 -1 0 0.00000 4 15 74 339 629 $project_dir 4 0 18 13 0 -1 0 0.00000 4 17 65 99 259 Data Table 4 2 18 13 0 -1 0 0.00000 4 15 35 319 689 $save 4 0 18 13 0 -1 0 0.00000 4 15 98 286 140 $which_species 4 1 18 13 0 -1 0 0.00000 4 15 56 304 74 $defaults 4 2 18 13 0 -1 0 0.00000 4 17 80 518 264 $table_select 4 2 18 13 0 -1 0 0.00000 4 15 55 518 539 $seq_len 4 2 18 13 0 -1 0 0.00000 4 15 61 518 560 $filter_len 4 0 18 13 0 -1 0 0.00000 4 15 24 339 507 Info 4 0 18 13 0 -1 0 0.00000 4 15 55 465 507 $preview 4 2 18 13 0 -1 0 0.00000 4 15 48 519 579 $ali_len 4 2 18 13 0 -1 0 0.00000 4 15 79 519 599 $marked_len 4 2 18 13 0 -1 0 0.00000 4 15 71 519 689 $to:preview 4 0 18 13 0 -1 0 0.00000 4 15 59 339 534 Positions 4 0 18 13 0 -1 0 0.00000 4 15 68 339 574 Sequences 4 0 18 13 0 -1 0 0.00000 4 15 77 349 554 filtered ones 4 0 18 13 0 -1 0 0.00000 4 15 80 349 594 marked ones ./arbsrc_9167/lib/pictures/unused/findcorr/pca_comp.fig0000644012664100000130000000061611213220012023107 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 514 599 514 64 34 64 34 599 514 599 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 49 584 $close 4 0 18 13 0 -1 0 0.00000 4 15 29 49 99 $text 4 2 18 13 0 -1 0 0.00000 4 17 45 499 564 $to:text ./arbsrc_9167/lib/pictures/unused/findcorr/pca_text.fig0000644012664100000130000000061611213220012023135 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 239 319 239 319 239 319 239 319 239 319 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 224 314 224 314 224 314 224 314 224 314 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 514 599 514 64 34 64 34 599 514 599 9999 9999 4 0 18 13 0 -1 0 0.00000 4 15 40 49 584 $close 4 0 18 13 0 -1 0 0.00000 4 15 29 49 99 $text 4 2 18 13 0 -1 0 0.00000 4 17 45 499 564 $to:text ./arbsrc_9167/lib/pictures/unused/findcorr/sel_box.fig0000644012664100000130000000166311213220012022764 0ustar arb_buildcoders#FIG 2.1 80 2 2 2 0 1 -1 0 0 0 0.000 0 0 0 469 409 469 214 129 214 129 409 469 409 9999 9999 2 2 0 1 -1 0 0 0 0.000 0 0 0 479 499 479 142 118 142 118 499 479 499 9999 9999 4 0 18 13 0 -1 0 0.00000 4 17 30 134 239 $box 4 2 18 13 0 -1 0 0.00000 4 17 46 464 404 $to:box 4 0 18 13 0 -1 0 0.00000 4 15 76 133 166 DIRECTORY 4 0 18 13 0 -1 0 0.00000 4 15 35 362 196 $filter 4 2 18 13 0 -1 0 0.00000 4 15 51 465 196 $to:filter 4 0 18 13 0 -1 0 0.00000 4 15 46 362 166 FILTER 4 2 18 13 0 -1 0 0.00000 4 15 78 343 195 $to:directory 4 0 18 13 0 -1 0 0.00000 4 17 62 133 197 $directory 4 2 18 13 0 -1 0 0.00000 4 15 83 464 444 $to:file_name 4 0 18 13 0 -1 0 0.00000 4 15 40 339 479 $close 4 2 18 13 0 -1 0 0.00000 4 15 56 464 479 $to:close 4 2 18 13 0 -1 0 0.00000 4 15 51 324 479 $to:save 4 0 18 13 0 -1 0 0.00000 4 15 35 134 479 $save 4 0 18 13 0 -1 0 0.00000 4 15 71 139 439 FILENAME: 4 0 18 13 0 -1 0 0.00000 4 15 67 219 444 $file_name ./arbsrc_9167/lib/pictures/unused/logo.fig0000644012664100000130000000133611440743000020471 0ustar arb_buildcoders#FIG 2.1 80 2 5 1 0 40 -1 7 0 0 0.000 0 0 0 404.720 279.720 304 279 333 209 404 179 6 79 279 559 319 4 0 6 23 0 0 3 0.00000 4 30 477 79 319 Development of a phylogenetic environment -6 1 1 0 0 0 20 0 21 0.00000 1 0.000 459 219 120 60 459 219 579 279 1 1 0 0 0 11 0 1 0.00000 1 0.000 459 220 71 21 459 220 530 241 2 2 0 0 -1 11 0 21 0.000 0 0 0 479 199 479 79 439 79 439 199 479 199 9999 9999 2 2 0 0 0 4 0 21 0.000 0 0 0 459 279 419 279 419 239 459 239 459 279 9999 9999 2 2 0 0 0 11 0 1 0.000 0 0 0 439 299 439 119 319 119 319 299 439 299 9999 9999 2 1 0 1 -1 0 0 21 0.000 -1 0 0 64 279 264 159 264 279 224 279 224 224 133 279 64 279 9999 9999 2 2 0 0 0 3 0 1 0.000 0 0 0 459 241 419 241 419 214 459 214 459 241 9999 9999 ./arbsrc_9167/lib/pictures/unused/RNA3D_MapSAI.fig0000644012664100000130000000602011213220012021454 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1035 1530 6255 1530 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 585 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 540 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 4230 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 4185 4 2 -1 0 0 18 12 0.0000 4 150 465 6390 990 $help\001 4 0 -1 0 0 18 13 0.0000 4 180 600 900 990 $close\001 4 0 -1 0 0 2 14 0.0000 4 180 3495 1530 1845 Map Sequence Associated Information\001 4 1 -1 0 0 18 13 0.0000 4 180 375 1260 1935 $sai\001 4 1 -1 0 0 2 14 0.0000 4 180 3075 2880 1440 Display Options for SAI Mapping\001 ./arbsrc_9167/lib/pictures/unused/RNA3D_MapSpeciesOptions.fig0000644012664100000130000000753611213220012024024 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 1890 2250 4560 2925 4 1 -1 0 0 18 13 0.0000 4 180 540 2160 2430 $base\001 4 0 -1 0 0 2 14 0.0000 4 180 2130 2430 2385 Display Base Difference\001 4 1 -1 0 0 18 13 0.0000 4 195 450 2160 2880 $pos\001 4 0 -1 0 0 2 14 0.0000 4 180 1935 2430 2835 Display Base Position\001 -6 6 1935 3150 4710 3810 4 1 -1 0 0 18 13 0.0000 4 180 390 2160 3330 $del\001 4 0 -1 0 0 2 14 0.0000 4 180 1560 2430 3285 Display Deletions\001 4 1 -1 0 0 18 13 0.0000 4 180 450 2160 3780 $mis\001 4 0 -1 0 0 2 14 0.0000 4 180 2280 2430 3735 Display Missing (?) Bases\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1035 1530 6255 1530 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 585 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 540 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1620 2790 2115 2790 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1620 2340 2115 2340 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1620 3690 2115 3690 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1620 3240 2115 3240 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2 1620 1933 1620 3690 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 900 4230 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6390 4185 4 2 -1 0 0 18 12 0.0000 4 150 465 6390 990 $help\001 4 0 -1 0 0 18 13 0.0000 4 180 600 900 990 $close\001 4 1 -1 0 0 2 14 0.0000 4 180 3645 2880 1440 Display Options for the Mapped Species\001 4 0 -1 0 0 2 14 0.0000 4 180 1920 1530 1845 Map Selected Species\001 4 1 -1 0 0 18 13 0.0000 4 195 330 1260 1935 $sp\001 ./arbsrc_9167/lib/pictures/visualizeSAI.fig0000644012664100000130000000751311440743000020601 0ustar arb_buildcoders#FIG 3.2 Landscape Center Metric A4 100.00 Single -2 1200 2 0 32 #424142 0 33 #848284 0 34 #bdc3bd 0 35 #8c8e8c 0 36 #bdc3bd 0 37 #848284 0 38 #8c8e8c 0 39 #424142 0 40 #848284 0 41 #bdc3bd 0 42 #dee3de 0 43 #c6b694 0 44 #effbff 0 45 #decba5 0 46 #adaaad 0 47 #5a555a 0 48 #8c8e8c 0 49 #424142 0 50 #848284 0 51 #bdc3bd 0 52 #dee3de 0 53 #424142 0 54 #848284 0 55 #bdc3bd 0 56 #dee3de 0 57 #848284 0 58 #bdc3bd 0 59 #dee3de 0 60 #424142 0 61 #848284 0 62 #bdc3bd 0 63 #424142 0 64 #bdc3bd 0 65 #dee3de 0 66 #424142 0 67 #848284 0 68 #bdc3bd 0 69 #8c8e8c 0 70 #424142 0 71 #848284 0 72 #bdc3bd 0 73 #dee3de 0 74 #424142 0 75 #848284 0 76 #bdc3bd 0 77 #dee3de 0 78 #424142 0 79 #848284 0 80 #bdc3bd 0 81 #dee3de 0 82 #00007b 0 83 #00007b 0 84 #ff8200 0 85 #007d00 0 86 #007d00 0 87 #0000bd 0 88 #00007b 0 89 #007d00 0 90 #cecfce 0 91 #cecfce 0 92 #cecfce 0 93 #848284 0 94 #bdc3bd 0 95 #dee3de 0 96 #8c8e8c 0 97 #8c8e8c 0 98 #8c8e8c 0 99 #8c8e8c 0 100 #4a454a 0 101 #8c8e8c 0 102 #8c8e8c 0 103 #848284 0 104 #c6c3c6 0 105 #8c8e8c 0 106 #8c8e8c 0 107 #424142 0 108 #c6c3c6 0 109 #e7e3e7 0 110 #effbff 0 111 #e7e3e7 0 112 #8c8e8c 0 113 #4a454a 0 114 #adaaad 0 115 #8c8e8c 0 116 #4a454a 0 117 #adaaad 0 118 #5a555a 0 119 #8c8e8c 0 120 #4a454a 0 121 #bdc3bd 0 122 #dee3de 0 123 #8c8e8c 0 124 #4a454a 0 125 #8c8e8c 0 126 #4a454a 0 127 #8c8e8c 0 128 #4a454a 0 129 #848284 0 130 #bdc3bd 0 131 #dee3de 0 132 #bdc3bd 0 133 #dee3de 0 134 #424142 0 135 #848284 0 136 #bdc3bd 0 137 #848284 0 138 #bdc3bd 0 139 #dee3de 0 140 #8c8e8c 0 141 #8c8e8c 0 142 #424142 0 143 #848284 0 144 #bdc3bd 0 145 #dee3de 0 146 #c6b694 0 147 #effbff 0 148 #decba5 0 149 #adaaad 0 150 #5a555a 0 151 #8c8e8c 0 152 #424142 0 153 #848284 0 154 #bdc3bd 0 155 #dee3de 0 156 #424142 0 157 #848284 0 158 #bdc3bd 0 159 #dee3de 0 160 #848284 0 161 #bdc3bd 0 162 #dee3de 0 163 #424142 0 164 #848284 0 165 #bdc3bd 0 166 #424142 0 167 #bdc3bd 0 168 #dee3de 0 169 #424142 0 170 #848284 0 171 #bdc3bd 0 172 #8c8e8c 0 173 #424142 0 174 #848284 0 175 #bdc3bd 0 176 #dee3de 0 177 #424142 0 178 #848284 0 179 #bdc3bd 0 180 #dee3de 0 181 #424142 0 182 #848284 0 183 #bdc3bd 0 184 #dee3de 0 185 #4a454a 0 186 #8c8e8c 0 187 #4a454a 0 188 #8c8e8c 0 189 #4a454a 0 190 #8c8e8c 0 191 #4a454a 0 192 #8c8e8c 0 193 #4a454a 0 194 #8c8e8c 0 195 #4a454a 0 196 #8c8e8c 0 197 #4a454a 0 198 #8c8e8c 0 199 #4a454a 0 200 #8c8e8c 0 201 #4a454a 0 202 #8c8e8c 0 203 #00007b 0 204 #00007b 0 205 #ff8200 0 206 #007d00 0 207 #007d00 0 208 #0000bd 0 209 #00007b 0 210 #007d00 6 990 3420 6615 6795 6 5490 4140 6210 5805 4 1 -1 0 0 18 13 0.0000 4 180 450 5850 4320 $edit\001 4 1 -1 0 0 18 13 0.0000 4 180 660 5850 4815 $create\001 4 1 -1 0 0 18 13 0.0000 4 195 555 5850 5310 $copy\001 4 1 -1 0 0 18 13 0.0000 4 180 660 5850 5760 $delete\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 6 1845 3510 990 3510 990 6300 6615 6300 6615 3555 5625 3555 4 1 -1 0 0 2 16 0.0000 4 165 3180 3780 3600 Select Color Translation Table \001 4 0 -1 0 0 18 14 0.0000 4 195 975 1305 4050 $clrTrList\001 4 2 -1 0 0 18 14 0.0000 4 195 1260 5130 6165 $to:clrTrList\001 4 0 -1 0 0 2 14 0.0000 4 135 1545 1035 6705 Visualize SAI for \001 4 1 -1 0 0 18 13 0.0000 4 180 795 4635 6750 $marked\001 -6 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 2 1035 1530 6615 1530 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 6750 585 2 1 0 1 0 7 50 0 -1 0.000 0 0 -1 0 0 1 855 540 4 0 -1 0 0 2 14 0.0000 4 135 960 1260 2565 Select SAI \001 4 0 -1 0 0 18 13 0.0000 4 180 600 855 990 $close\001 4 1 -1 0 0 18 13 0.0000 4 180 375 4410 2610 $sai\001 4 1 -1 0 0 2 18 0.0000 4 240 4995 3825 1395 Visualize Sequence Associated Information\001 4 2 -1 0 0 18 12 0.0000 4 180 465 6795 990 $help\001 4 1 -1 0 0 18 13 0.0000 4 195 1155 4050 3105 $auto_select\001 4 0 -1 0 0 2 14 0.0000 4 135 1320 1260 3015 Autoselect SAI\001 4 1 -1 0 0 18 13 0.0000 4 180 720 4050 2025 $enable\001 4 0 -1 0 0 2 14 0.0000 4 135 1860 1260 1935 Enable Visualization\001 ./arbsrc_9167/lib/pixmaps/allright.bitmap0000644012664100000130000000103711213220012020353 0ustar arb_buildcoders#define allright_width 24 #define allright_height 24 static unsigned char allright_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfe, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfe, 0x01, 0x00, 0x00, 0x00, 0x00, 0x3e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7e, 0x00, 0x0c, 0x00, 0x00, 0x18, 0x1e, 0x00, 0x30, 0x00, 0xf8, 0x7f, 0x7e, 0xf8, 0x7f, 0x00, 0x00, 0x30, 0xfe, 0x00, 0x18, 0x00, 0x00, 0x0c, 0x1e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7e, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfe, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, }; ./arbsrc_9167/lib/pixmaps/basesText.xpm0000644012664100000130000001436111213220012020043 0ustar arb_buildcoders/* XPM */ static const unsigned char * basestext_xpm[] = { "120 19 105 2", " c None", "! c black", "# c #545454", "$ c #088B08", "% c #1857E5", "& c #E52218", "' c #F8C7C5", "( c white", ") c #F3A19D", "* c #0B8C0B", "+ c #8CC98C", ", c #EAF5EA", "- c #F8FBF8", ". c #C3E3C3", "0 c #E7372E", "1 c #FEFDFD", "2 c #FEFEFE", "3 c #FCE9E8", "4 c #E52319", "5 c #84C584", "6 c #69B869", "7 c #2B9B2B", "8 c #7CC17C", "9 c #F0807A", ": c #F5AFAB", "; c #EB5951", "< c #E2F1E2", "= c #C5E4C5", "> c #808080", "? c #F8CBC9", "@ c #FDF2F1", "A c #E84037", "B c #F4A4A0", "C c #FCFDFC", "D c #A5D5A5", "E c #131316", "F c #E73A31", "G c #F6B7B3", "H c #FBDDDB", "I c #FCECEB", "J c #E5241A", "K c #E3F2E3", "L c #C4E3C4", "M c #FFFFDF", "N c #DFFFFF", "O c #F0847F", "P c #EC5D56", "Q c #86C686", "R c #66B766", "S c #299A29", "T c #7AC07A", "U c #A3A3A4", "V c #F9D0CE", "W c #EA4E46", "X c #E94B43", "Y c #FEFCFC", "Z c #7CA0F0", "[ c #DEE7FB", "] c #FBFCFE", "^ c #F0F4FD", "_ c #BFD0F7", "` c #8ECA8E", "a c #EBF5EB", "b c #F9FCF9", "c c #BFFFFF", "d c #80A2F0", "e c #86A7F1", "f c #376EE8", "g c #497BEA", "h c #96B3F3", "i c #EA0606", "j c #E2E9FB", "k c #C8D7F8", "l c #A8BFF5", "m c #A1BBF4", "n c #F5F7FD", "o c #F8F8F8", "p c #AAAAAB", "q c #1A1A1D", "r c #9B9B9D", "s c #111010", "t c #E3EBFB", "u c #C6D6F8", "v c #2B65E7", "w c #B2C7F6", "x c #C7C7C8", "y c #EBEBEB", "z c #5C5C5E", "{ c #8D8D8E", "| c #69696A", "} c #88A8F1", "~ c #7DA0F0", " ! c #356CE8", "!! c #B8CBF7", "#! c #39393C", "$! c #CACACA", "%! c #FAFAFA", "&! c #EFEFEF", "'! c #9A9A9B", "(! c #141417", ")! c #1958E5", "*! c #8AAAF1", "+! c #E6EDFC", ",! c #FCFDFE", "-! c #A8C0F5", " # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # $ $ $ $ # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # $ $ $ $ $ $ $ $ # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # % % # # # & & & & # # # # # # # # # # # # # # # # # # # % % $ $ $ $ $ $ $ $ $ $ # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # % % # & & ' ( ) & # # # # # # # # # # # # # # # # % % % # $ $ * + , - . $ $ $ # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # # & & 0 1 2 3 4 & # # # # # # # # # # # # # % % % # # $ $ $ 5 ( 6 7 8 $ $ $ $ # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # & & & 9 ( : ( ; & & # # # # # # # # # # # % % # # # # $ $ $ < = $ $ $ $ $ $ $ # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # > ( ( ( ( # # # # > ( ( # # # # > ( ( ( ( # > ( ( ( ( # # > ( ( ( ( # # # # # # # # # # ", "# # # # # # & & & ? @ A ( B & & # # # # # # # # # # # % # # # # # $ $ $ C D $ $ $ $ $ $ $ $ $ # # # # # # # # E E E # # # # # # # # # # # # # # # # # # > ( # # > ( # # # > ( ( # # # > ( # # # # # > ( # # # # > ( # # # # # # # # # # # # # # ", "# # # # # # & & F 2 G & H I J & # # # # # # # # # % % % # # # # # $ $ $ K L $ $ $ $ $ $ $ # # $ $ $ $ # # E E E E E E E # # # # # # # # # # # # # # # # > ( # # > M # # > N # > M # # > ( # # # # # > ( # # # # > ( # # # # # # # # # # # # # # ", "# # # # # # & & O ( ( ( ( ( P & # # # # # # # % % % % % % % # # # # $ $ Q ( R S T $ $ $ # # # # # # $ $ E E ( U E E ( U E # # # # # # # # # # # # # # # > ( ( ( ( # # # > ( # > ( # # > ( ( ( ( # # > ( ( ( M # > ( ( ( ( # # # # # # # # # # # ", "# # # # # # # & V I W X P Y & # # # # # # # % % Z [ ] ^ _ % % # # # $ $ * ` a b L $ $ $ # # # # # # # # E E ( U E E ( U E # # # # # # # # # # # # # # # > ( # # > ( # # > M # > N # # # > c ( ( ( # > ( # # # # # > > ( ( ( # # # # # # # # # # ", "# # # # # # # # & & & & & & & & # # # # # # % d ( e f g h % % # # # # $ $ $ $ $ $ $ $ # # # # # # # # E E E ( U E E ( U E E # # # # # # # # # # # # # # > ( # # > N # > ( ( ( ( ( ( # # # # # > N # > ( # # # # # # # # > N # # # # # # # # # # ", "# # # # # # # # # & & & & # # i & # # # # % % j k % % % % % % % # # # # # $ $ $ $ # # # # # # # # # # E E E ( U E E ( U E E # # # # # # # # # # # # # # > ( # # > ( # > ( # # # > ( # # # # # > ( # > ( # # # # # # # # > ( # # # # # # # # # # ", "# # # # # # # # # # # # # # # # i i # # # % % ] l % m n n % % % # # # # # # # # # # # # # # # # # # # E E E o p E q ( r E E # # # # # # # # s s # # # # > ( ( ( ( # # > M # # # > N # > ( ( ( ( # # > ( ( ( ( # > ( ( ( ( # # # # # # # # # # # ", "# # # # # # # # # # # # # # # # # i i i # % % t u % v w ( % % % # # # # # # # # # # # # # # # # # # # # E E x y z { ( | E s s # # # # # s s s # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # # # # # # # # # # # # # # i i # % } ( ~ !!!( % % # # # # # # # # # # # # # # # # # # # # # E E #!$!%!&!'!(!E # s s s s s s s # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # # # # # # # # # # # # # # # # # % )!*!+!,!+!-!% % # # # # # # # # # # # # # # # # # # # # # # E E E E E E E # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", "# # # # # # # # # # # # # # # # # # # # # # # % % % % % % % # # # # # # # # # # # # # # # # # # # # # # # # # E E E # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # ", " # # # # # # # # # # # # # # # # # # # # # # # # % % % # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # "};./arbsrc_9167/lib/pixmaps/bases.xpm0000644012664100000130000001037711213220012017201 0ustar arb_buildcoders/* XPM */ static char * bases_xpm[] = { "69 19 100 2", " c None", ". c #088B08", "+ c #1857E5", "@ c #E52218", "# c #F8C7C5", "$ c #FFFFFF", "% c #F3A19D", "& c #0B8C0B", "* c #8CC98C", "= c #EAF5EA", "- c #F8FBF8", "; c #C3E3C3", "> c #E7372E", ", c #FEFDFD", "' c #FEFEFE", ") c #FCE9E8", "! c #E52319", "~ c #84C584", "{ c #69B869", "] c #2B9B2B", "^ c #7CC17C", "/ c #F0807A", "( c #F5AFAB", "_ c #EB5951", ": c #E2F1E2", "< c #C5E4C5", "[ c #F8CBC9", "} c #FDF2F1", "| c #E84037", "1 c #F4A4A0", "2 c #FCFDFC", "3 c #A5D5A5", "4 c #131316", "5 c #E73A31", "6 c #F6B7B3", "7 c #FBDDDB", "8 c #FCECEB", "9 c #E5241A", "0 c #E3F2E3", "a c #C4E3C4", "b c #F0847F", "c c #EC5D56", "d c #86C686", "e c #66B766", "f c #299A29", "g c #7AC07A", "h c #A3A3A4", "i c #F9D0CE", "j c #EA4E46", "k c #E94B43", "l c #FEFCFC", "m c #F4A9A5", "n c #7CA0F0", "o c #DEE7FB", "p c #FBFCFE", "q c #F0F4FD", "r c #BFD0F7", "s c #8ECA8E", "t c #EBF5EB", "u c #F9FCF9", "v c #EA0606", "w c #80A2F0", "x c #86A7F1", "y c #376EE8", "z c #497BEA", "A c #96B3F3", "B c #E2E9FB", "C c #C8D7F8", "D c #A8BFF5", "E c #A1BBF4", "F c #F5F7FD", "G c #F8F8F8", "H c #AAAAAB", "I c #1A1A1D", "J c #9B9B9D", "K c #111010", "L c #E3EBFB", "M c #C6D6F8", "N c #2B65E7", "O c #B2C7F6", "P c #C7C7C8", "Q c #EBEBEB", "R c #5C5C5E", "S c #8D8D8E", "T c #69696A", "U c #88A8F1", "V c #7DA0F0", "W c #356CE8", "X c #B8CBF7", "Y c #39393C", "Z c #CACACA", "` c #FAFAFA", " . c #EFEFEF", ".. c #9A9A9B", "+. c #141417", "@. c #1958E5", "#. c #8AAAF1", "$. c #E6EDFC", "%. c #FCFDFE", "&. c #A8C0F5", " ", " . . . . ", " . . . . . . . . ", "+ + @ @ @ @ + + . . . . . . . . . . ", " + + @ @ # $ % @ + + + . . & * = - ; . . . ", " @ @ > , ' ) ! @ + + + . . . ~ $ { ] ^ . . . . ", " @ @ @ / $ ( $ _ @ @ + + . . . : < . . . . . . . ", " @ @ @ [ } | $ 1 @ @ + . . . 2 3 . . . . . . . . . 4 4 4 ", " @ @ 5 ' 6 @ 7 8 9 @ + + + . . . 0 a . . . . . . . . . . . 4 4 4 4 4 4 4 ", " @ @ b $ $ $ $ $ c @ + + + + + + + . . d $ e f g . . . . . 4 4 $ h 4 4 $ h 4 ", " @ i 8 j k c l m + + n o p q r + + . . & s t u a . . . 4 4 $ h 4 4 $ h 4 ", " @ @ @ @ @ @ v + w $ x y z A + + . . . . . . . . 4 4 4 $ h 4 4 $ h 4 4 ", " @ @ @ @ v v v v + + B C + + + + + + + . . . . 4 4 4 $ h 4 4 $ h 4 4 ", " v v v v + + p D + E F F + + + 4 4 4 G H 4 I $ J 4 4 K K ", " v v v v + + L M + N O $ + + + 4 4 P Q R S $ T 4 K K K K K ", " v v + U $ V W X $ + + 4 4 Y Z ` ...+.4 K K K K K K K ", " + @.#.$.%.$.&.+ + 4 4 4 4 4 4 4 ", " + + + + + + + 4 4 4 ", " + + + "}; ./arbsrc_9167/lib/pixmaps/beautifyb.bitmap0000644012664100000130000000737711213220012020534 0ustar arb_buildcoders#define beautifyb_width 58 #define beautifyb_height 75 static char beautifyb_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x80, 0x07, 0x00, 0x00, 0x00, 0x20, 0xfc, 0x00, 0x80, 0x08, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x80, 0x88, 0xc3, 0x81, 0x23, 0x22, 0xfc, 0x00, 0x80, 0x48, 0x24, 0x40, 0x24, 0x22, 0xfc, 0xf0, 0x81, 0x08, 0x24, 0x00, 0x24, 0x22, 0xfc, 0x10, 0x80, 0x87, 0xc7, 0x80, 0x47, 0x21, 0xfc, 0x10, 0x80, 0x40, 0x04, 0x41, 0x44, 0x21, 0xfc, 0x10, 0x80, 0x40, 0x04, 0x49, 0x84, 0x20, 0xfc, 0x10, 0x80, 0x80, 0xeb, 0x88, 0x8b, 0x20, 0xfc, 0x10, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x1f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x1f, 0x00, 0x10, 0x02, 0x00, 0x00, 0x00, 0xfc, 0x10, 0x00, 0x10, 0x02, 0x00, 0x00, 0x00, 0xfc, 0x10, 0x00, 0x10, 0x02, 0x0d, 0x47, 0x73, 0xfc, 0x10, 0x00, 0x10, 0x02, 0x93, 0xc8, 0x88, 0xfc, 0x90, 0x03, 0xf0, 0x03, 0x11, 0x48, 0x80, 0xfc, 0x90, 0x00, 0x10, 0x02, 0x11, 0x4f, 0xf0, 0xfc, 0x90, 0x00, 0x10, 0x02, 0x91, 0x48, 0x88, 0xfc, 0x90, 0x00, 0x10, 0x12, 0x91, 0x48, 0x88, 0xfc, 0x90, 0x00, 0x10, 0x12, 0x0f, 0x57, 0x70, 0xfd, 0xf0, 0x00, 0x00, 0x00, 0x01, 0x00, 0x00, 0xfc, 0x80, 0x00, 0x00, 0x1e, 0x01, 0x00, 0x00, 0xfc, 0x80, 0x00, 0x00, 0x22, 0x00, 0x00, 0x00, 0xfc, 0x80, 0x00, 0x00, 0x22, 0x0e, 0x07, 0x0e, 0xfc, 0x80, 0x00, 0x00, 0x22, 0x91, 0x00, 0x01, 0xfc, 0x80, 0x00, 0x00, 0x22, 0x90, 0x00, 0x01, 0xfc, 0x80, 0xf0, 0x00, 0x1e, 0x1e, 0x03, 0x06, 0xfc, 0x80, 0x10, 0x00, 0x02, 0x11, 0x04, 0x08, 0xfc, 0x80, 0x10, 0x00, 0x02, 0x11, 0x24, 0x08, 0xfc, 0x80, 0x10, 0x00, 0x02, 0xae, 0x23, 0x07, 0xfc, 0x80, 0x10, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x80, 0x1e, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x80, 0x12, 0x00, 0x42, 0x20, 0x00, 0x00, 0xfc, 0x80, 0x12, 0x00, 0x42, 0x20, 0x00, 0x00, 0xfc, 0x80, 0x12, 0x00, 0x42, 0xf0, 0x1c, 0x11, 0xfc, 0x80, 0x12, 0x00, 0x42, 0x20, 0x22, 0x11, 0xfc, 0x80, 0xf2, 0x00, 0x7e, 0x20, 0x20, 0x0a, 0xfc, 0x80, 0x02, 0x00, 0x42, 0x20, 0x3c, 0x04, 0xfc, 0x80, 0x02, 0x00, 0x42, 0x20, 0x22, 0x0a, 0xfc, 0x80, 0x02, 0x00, 0x42, 0x22, 0x22, 0x11, 0xfc, 0x80, 0x02, 0x00, 0x42, 0xc2, 0x5c, 0x11, 0xfc, 0x80, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x02, 0x00, 0x1e, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x02, 0x00, 0x22, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x02, 0x00, 0x22, 0x0e, 0x07, 0x1e, 0xfc, 0x00, 0x02, 0x00, 0x22, 0x91, 0x00, 0x11, 0xfc, 0x00, 0x02, 0x00, 0x22, 0x90, 0x00, 0x11, 0xfc, 0x00, 0xf2, 0x01, 0x1e, 0x1e, 0x03, 0x11, 0xfc, 0x00, 0x12, 0x00, 0x02, 0x11, 0x04, 0x19, 0xfc, 0x00, 0x12, 0x00, 0x02, 0x11, 0x24, 0x16, 0xfc, 0x00, 0x12, 0x00, 0x02, 0xae, 0x23, 0x10, 0xfc, 0x00, 0x12, 0x00, 0x00, 0x00, 0x00, 0x10, 0xfc, 0x00, 0x1e, 0x00, 0x00, 0x00, 0x00, 0x0e, 0xfc, 0x00, 0x10, 0x00, 0x78, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x10, 0x00, 0x88, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x10, 0x00, 0x88, 0x38, 0x1c, 0x44, 0xfc, 0x00, 0x10, 0x00, 0x88, 0x44, 0x02, 0x44, 0xfc, 0x00, 0xd0, 0x07, 0x88, 0x40, 0x02, 0x44, 0xfc, 0x00, 0x50, 0x00, 0x78, 0x78, 0x0c, 0x28, 0xfc, 0x00, 0x50, 0x00, 0x08, 0x44, 0x10, 0x28, 0xfc, 0x00, 0x50, 0x00, 0x08, 0x44, 0x90, 0x10, 0xfc, 0x00, 0x50, 0x00, 0x08, 0xb8, 0x8e, 0x10, 0xfc, 0x00, 0x70, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x40, 0x00, 0x78, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x40, 0x00, 0x88, 0x00, 0x00, 0x00, 0xfc, 0x00, 0x40, 0x00, 0x88, 0x38, 0x1c, 0x44, 0xfc, 0x00, 0x40, 0x00, 0x88, 0x44, 0x02, 0x44, 0xfc, 0x00, 0x40, 0x00, 0x88, 0x40, 0x02, 0x44, 0xfc, 0x00, 0xc0, 0x03, 0x78, 0x78, 0x0c, 0x28, 0xfc, 0x00, 0x00, 0x00, 0x08, 0x44, 0x10, 0x28, 0xfc, 0x00, 0x00, 0x00, 0x08, 0x44, 0x90, 0x10, 0xfc, 0x00, 0x00, 0x00, 0x08, 0xb8, 0x8e, 0x10, 0xfc, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc}; ./arbsrc_9167/lib/pixmaps/beautifyc.bitmap0000644012664100000130000000331311213220012020517 0ustar arb_buildcoders#define beautifyc_width 20 #define beautifyc_height 88 static char beautifyc_bits[] = { 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0xc0, 0xf7, 0x00, 0x40, 0xf0, 0x00, 0x40, 0xf0, 0x00, 0x40, 0xf0, 0x00, 0x40, 0xf0, 0x00, 0x78, 0xf0, 0x00, 0x48, 0xf0, 0x00, 0x48, 0xf0, 0x00, 0x48, 0xf0, 0x00, 0x48, 0xf0, 0x00, 0x48, 0xf0, 0x00, 0xc8, 0xf7, 0x00, 0x08, 0xf0, 0x00, 0x08, 0xf0, 0x00, 0x08, 0xf0, 0x00, 0x08, 0xf0, 0x00, 0x0f, 0xf0, 0x00, 0x09, 0xf0, 0x00, 0x09, 0xf0, 0x00, 0x09, 0xf0, 0x00, 0x09, 0xf0, 0x00, 0xf9, 0xf0, 0x00, 0x01, 0xf0, 0x00, 0x01, 0xf0, 0x00, 0x01, 0xf0, 0x00, 0x01, 0xf0, 0xe0, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x0f, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x3c, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0xe4, 0x7f, 0xf0, 0x04, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0x07, 0x00, 0xf0, 0x07, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0x04, 0x00, 0xf0, 0xe4, 0x03, 0xf0, 0x24, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0x24, 0x00, 0xf0, 0x3c, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x00, 0xf0, 0x20, 0x0f, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0x20, 0x01, 0xf0, 0xe0, 0x01, 0xf0, 0x00, 0x01, 0xf0, 0x00, 0x01, 0xf0, 0x00, 0x19, 0xf0, 0x00, 0x09, 0xf0, 0x00, 0x09, 0xf0, 0x00, 0x0f, 0xf0, 0x00, 0x08, 0xf0, 0x00, 0x08, 0xf0, 0x00, 0x08, 0xf0, 0x00, 0x18, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x00, 0x00, 0xf0}; ./arbsrc_9167/lib/pixmaps/beautifyt.bitmap0000644012664100000130000001022111213220012020534 0ustar arb_buildcoders#define beautifyt_width 64 #define beautifyt_height 83 static char beautifyt_bits[] = { 0x00, 0x00, 0x00, 0x00, 0xf0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x10, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x10, 0x71, 0x38, 0x88, 0x00, 0x00, 0x00, 0x00, 0x10, 0x89, 0x04, 0x88, 0x00, 0x00, 0x00, 0x00, 0x10, 0x81, 0x04, 0x88, 0x00, 0x00, 0x80, 0x03, 0xf0, 0xf0, 0x18, 0x50, 0x00, 0x00, 0x80, 0x00, 0x10, 0x88, 0x20, 0x50, 0x00, 0x00, 0x80, 0x00, 0x10, 0x88, 0x20, 0x21, 0x00, 0x00, 0x80, 0x00, 0x10, 0x70, 0x1d, 0x21, 0x00, 0x00, 0x80, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0x00, 0xf0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0x00, 0x10, 0x01, 0x00, 0x00, 0x00, 0x00, 0xa0, 0x00, 0x10, 0x71, 0x38, 0x88, 0x00, 0x00, 0xa0, 0x00, 0x10, 0x89, 0x04, 0x88, 0x00, 0x00, 0xa0, 0x03, 0x10, 0x81, 0x04, 0x88, 0x00, 0x00, 0x20, 0x00, 0xf0, 0xf0, 0x18, 0x50, 0x00, 0x00, 0x20, 0x00, 0x10, 0x88, 0x20, 0x50, 0x00, 0x00, 0x20, 0x00, 0x10, 0x88, 0x20, 0x21, 0x00, 0x00, 0x20, 0x00, 0x10, 0x70, 0x1d, 0x21, 0x00, 0x00, 0x3c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x24, 0x00, 0x3c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x24, 0x00, 0x44, 0x00, 0x00, 0x00, 0x00, 0x00, 0x24, 0x00, 0x44, 0x1c, 0x0e, 0x3c, 0x00, 0x00, 0x24, 0x00, 0x44, 0x22, 0x01, 0x22, 0x00, 0x00, 0x24, 0x00, 0x44, 0x20, 0x01, 0x22, 0x00, 0x00, 0xe4, 0x00, 0x3c, 0x3c, 0x06, 0x22, 0x00, 0x00, 0x04, 0x00, 0x04, 0x22, 0x08, 0x32, 0x00, 0x00, 0x04, 0x00, 0x04, 0x22, 0x48, 0x2c, 0x00, 0x00, 0x04, 0x00, 0x04, 0x5c, 0x47, 0x20, 0x00, 0x00, 0x04, 0x00, 0x00, 0x00, 0x00, 0x20, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0x1c, 0x00, 0x00, 0x05, 0x00, 0x3c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x05, 0x00, 0x44, 0x00, 0x00, 0x00, 0x00, 0x00, 0x05, 0x00, 0x44, 0x1c, 0x0e, 0x1c, 0x00, 0x00, 0x05, 0x00, 0x44, 0x22, 0x01, 0x02, 0x00, 0x00, 0xe5, 0x00, 0x44, 0x20, 0x01, 0x02, 0x00, 0x00, 0x25, 0x00, 0x3c, 0x3c, 0x06, 0x0c, 0x00, 0x00, 0x25, 0x00, 0x04, 0x22, 0x08, 0x10, 0x00, 0x00, 0x25, 0x00, 0x04, 0x22, 0x48, 0x10, 0x00, 0x00, 0x25, 0x00, 0x04, 0x5c, 0x47, 0x0e, 0x00, 0x00, 0x3d, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x21, 0x00, 0x84, 0x40, 0x00, 0x00, 0x00, 0x00, 0x21, 0x00, 0x84, 0x40, 0x00, 0x00, 0x00, 0x00, 0x21, 0x00, 0x84, 0xe0, 0x39, 0x22, 0x00, 0x00, 0x21, 0x00, 0x84, 0x40, 0x44, 0x22, 0x00, 0x00, 0x21, 0x00, 0xfc, 0x40, 0x40, 0x14, 0x00, 0x00, 0xe1, 0x00, 0x84, 0x40, 0x78, 0x08, 0x00, 0x00, 0x01, 0x00, 0x84, 0x40, 0x44, 0x14, 0x00, 0x00, 0x01, 0x00, 0x84, 0x44, 0x44, 0x22, 0x00, 0x00, 0x01, 0x00, 0x84, 0x84, 0xb9, 0x22, 0x00, 0x00, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x20, 0x04, 0x1a, 0x8e, 0x66, 0x00, 0x20, 0x01, 0x20, 0x04, 0x26, 0x91, 0x11, 0x00, 0x20, 0x07, 0xe0, 0x07, 0x22, 0x90, 0x10, 0x00, 0x20, 0x00, 0x20, 0x04, 0x22, 0x9e, 0x60, 0x00, 0x20, 0x00, 0x20, 0x04, 0x22, 0x91, 0x10, 0x00, 0x20, 0x00, 0x20, 0x24, 0x22, 0x91, 0x10, 0x00, 0x20, 0x00, 0x20, 0x24, 0x1e, 0xae, 0x60, 0xf0, 0x3f, 0x00, 0x00, 0x00, 0x02, 0x00, 0x40, 0x10, 0x20, 0x00, 0x0f, 0x00, 0x02, 0x00, 0x40, 0x10, 0x20, 0x00, 0x11, 0x00, 0x00, 0x00, 0x00, 0x10, 0x20, 0x00, 0x11, 0x87, 0x03, 0x47, 0x44, 0x10, 0x20, 0x00, 0x91, 0x48, 0x80, 0x48, 0x44, 0x10, 0x20, 0x00, 0x11, 0x48, 0x00, 0x48, 0x44, 0x10, 0xe0, 0x00, 0x0f, 0x8f, 0x01, 0x8f, 0x42, 0x10, 0x00, 0x00, 0x81, 0x08, 0x82, 0x88, 0x42, 0x10, 0x00, 0x00, 0x81, 0x08, 0x92, 0x08, 0x41, 0x10, 0x00, 0x00, 0x01, 0xd7, 0x11, 0x17, 0x41, 0x10, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x1f, 0x00, 0x00, 0x20, 0x00, 0x00, 0x00, 0x00, 0x10, 0x00, 0x42, 0x20, 0x00, 0x00, 0x00, 0x00, 0x10, 0x00, 0x42, 0x20, 0x00, 0x00, 0x00, 0x00, 0x10, 0x00, 0x42, 0xa0, 0xe1, 0x70, 0x68, 0x06, 0x10, 0x00, 0x42, 0x60, 0x12, 0x89, 0x98, 0x09, 0xf0, 0x07, 0x7e, 0x20, 0x02, 0x89, 0x88, 0x08, 0x00, 0x00, 0x42, 0x20, 0xe2, 0xf9, 0x88, 0x08, 0x00, 0x00, 0x42, 0x20, 0x12, 0x09, 0x88, 0x08, 0x00, 0x00, 0x42, 0x22, 0x12, 0x89, 0x88, 0x08, 0x00, 0x00, 0x42, 0x22, 0xe2, 0x72, 0x88, 0x08}; ./arbsrc_9167/lib/pixmaps/check.xpm0000644012664100000130000000127011213220012017151 0ustar arb_buildcoders/* XPM */ static char *check[]={ "18 18 17 1", ". c None", "a c #545454", "# c #575757", "n c #5e5e5e", "h c #646464", "e c #6e6e6e", "j c #767676", "m c #848484", "f c #989898", "b c #9b9b9b", "l c #b2b2b2", "g c #bcbcbc", "o c #c9c9c9", "d c #d3d3d3", "i c #d5d5d5", "k c #dfdfdf", "c c #ffffff", ".#aaaaaaaaaaaaaa#.", "#aaaaaaaaaaaaaaaa#", "aaaaaaaaaaaaaaaaaa", "aaaaaaaaaaaaaaaaaa", "aaaaaaaaaaaaabcaaa", "aaaaaaaaaaaadceaaa", "aaaaaaaaaaafcgaaaa", "aaaaaaaaaahicaaaaa", "aaaaaaaaaacceaaaaa", "aaaajfaaadcgaaaaaa", "aaaakcfafccaaaaaaa", "aaaaalclcceaaaaaaa", "aaaaaamccgaaaaaaaa", "aaaaaaanoaaaaaaaaa", "aaaaaaaaaaaaaaaaaa", "aaaaaaaaaaaaaaaaaa", "#aaaaaaaaaaaaaaaa#", ".#aaaaaaaaaaaaaa#."}; ./arbsrc_9167/lib/pixmaps/circle.bitmap0000644012664100000130000000044211213220012020005 0ustar arb_buildcoders#define circle_width 16 #define circle_height 16 static unsigned char circle_bits[] = { 0xc0, 0x01, 0xf0, 0x07, 0xfc, 0x1f, 0xfc, 0x1f, 0xfe, 0x3f, 0xfe, 0x3f, 0xff, 0x7f, 0xff, 0x7f, 0xff, 0x7f, 0xfe, 0x3f, 0xfe, 0x3f, 0xfc, 0x1f, 0xfc, 0x1f, 0xf0, 0x07, 0xc0, 0x01, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/close_text.xpm0000644012664100000130000000272311213220012020251 0ustar arb_buildcoders/* XPM */ static const unsigned char * close_text_xpm[] = { "70 18 6 1", " c None", "! c black", "# c #FF0000", "$ c #FF3F3F", "% c white", "& c #FFBFBF", " ", " ", " ############## ", " ############$##$ ", " ###########$##$# ", " ####%&####&%#$## !!!!! !! !!!!! !!!!! !!!!!! ", " ####&%&##&%&$### !! !! !! !! !! !! ", " #####&%&&%&$#### !! !! !! !! !! !! ", " ######&%%&$##### !! !! !! !! !!!!! !!!!!! ", " ######&%%&###### !! !! !! !! !!!!! !! ", " #####&%&&%&##### !! !! !! !! !! !! ", " ####&%&$#&%&#### !! !! !! !! !! !! ", " ###$%&$###&%#### !!!!! !!!!! !!!!! !!!!! !!!!!! ", " ##$##$########## ", " #$##$########### ", " ############## ", " ", " "}; ./arbsrc_9167/lib/pixmaps/closeText.xpm0000644012664100000130000000302111213220012020042 0ustar arb_buildcoders/* XPM */ static char * closeText_xpm[] = { "70 18 11 1", " c None", ". c #545454", "+ c #FF0000", "@ c #FF3F3F", "# c #FFFFFF", "$ c #FFBFBF", "% c #808080", "& c #BFFFFF", "* c #FFFFBF", "= c #FFFFDF", "- c #DFFFFF", " .................................................................... ", "..+++++++++++++++++...................................................", ".+++++++++++++++++++..................................................", ".+++++++++++++@++@++..................................................", ".++++#$++++++@#+@+++..................................................", ".++++$#$++++@##@++++..................................................", ".+++++$#$++@##@+++++.......%&###.%#.....%&##*...%####.%####...........", ".++++++$#$@##@++++++......%&.....%#....%&...%*.%#.....%#..............", ".+++++++$###@+++++++......%#.....%#....%#...%#.%#.....%#..............", ".+++++++@##$++++++++......%#.....%#....%#...%#.%####..%###=...........", ".++++++@##$#$+++++++......%#.....%#....%#...%#..%%%%#.%#..............", ".+++++@##@+$#$++++++......%#.....%#....%#...%#.....%-.%#..............", ".++++@##@+++$#$+++++......%&.....%#....%&...%*.....%#.%#..............", ".+++@##@+++++$#+++++.......%&###.%####..%&##*..#####..%####...........", ".++@++@+++++++++++++..................................................", ".+++++++++++++++++++..................................................", ".+++++++++++++++++++..................................................", "..+++++++++++++++++..................................................."}; ./arbsrc_9167/lib/pixmaps/close.xpm0000644012664100000130000000210511237014133017212 0ustar arb_buildcoders/* XPM */ static char * close_xpm[] = { "18 18 43 1", " c None", ". c #012BFF", "+ c #2B4EFF", "@ c #1139FF", "# c #3557FF", "$ c #0730FF", "% c #3758FF", "& c #EFF2FF", "* c #8398FF", "= c #294DFF", "- c #C3CDFF", "; c #4362FF", "> c #3355FF", ", c #0B34FF", "' c #D1D9FF", ") c #EBEFFF", "! c #7A8FFE", "~ c #2549FF", "{ c #BAC5FE", "] c #FFFFFF", "^ c #748AFE", "/ c #0D35FF", "( c #D4DBFE", "_ c #E7EBFF", ": c #7087FE", "< c #2146FF", "[ c #AFBCFF", "} c #7E93FE", "| c #3D5DFF", "1 c #D7DEFF", "2 c #E5EAFF", "3 c #A6B4FE", "4 c #879BFF", "5 c #153CFF", "6 c #4766FF", "7 c #DBE1FF", "8 c #91A3FF", "9 c #173EFF", "0 c #DDE3FF", "a c #516EFF", "b c #E1E6FF", "c c #667FFE", "d c #6880FE", " ................ ", "..................", "..................", "............+@.#$.", "...%&*.....=-;>,..", "...=')!...~{]^/...", "....>(_:.<[]}@....", ".....|12*3]45.....", "......67]]89......", "......98]0a.......", ".....54]bb76......", "....@}][....", "..,d]-=....!);....", ".$#.@+......*>....", "..................", "..................", " ................ "}; ./arbsrc_9167/lib/pixmaps/colorMaps.xpm0000644012664100000130000000273511213220012020042 0ustar arb_buildcoders/* XPM */ static char * colorMaps_xpm[] = { "60 20 11 1", " c None", ". c #545454", "+ c #FFFFFF", "@ c #FF0000", "# c #0099FF", "$ c #99FF66", "% c #C0C0FF", "& c #A8DCFF", "* c #FF794B", "= c #FFFF00", "- c #FFC0C0", " .......................................................... ", ".+..+..+++..+++..+...+++..+++..+++..+++..+++..+++...++..+++.", ".+..+...+...+....+....+...+.+..+.....+.....+..+....+....+.+.", ".+..+...+...+....+....+...+.+..+.....+.....+..+....++...+.+.", ".++++...+...+++..+....+...+.+..+++...+.....+..+.....+...+++.", ".+..+...+...+....+....+...+.+..+.....+.....+..+.+...++..+.+.", ".+..+...+...+....+....+...+.+..+.....+...+.+..+.+....+..+.+.", ".+..+..+++..+++..+++..+...+++..+....+++..+++..+++..++...+++.", "............................................................", "............................................................", "............................................................", ".@..@..###..$$$..%...&&&..@@@..$$$..***..===..---...$$..***.", ".@..@...#...$....%....&...@.@..$.....*.....=..-....$....*.*.", ".@..@...#...$....%....&...@.@..$.....*.....=..-....$$...*.*.", ".@@@@...#...$$$..%....&...@.@..$$$...*.....=..-.....$...***.", ".@..@...#...$....%....&...@.@..$.....*.....=..-.-...$$..*.*.", ".@..@...#...$....%....&...@.@..$.....*...=.=..-.-....$..*.*.", ".@..@..###..$$$..%%%..&...@@@..$....***..===..---..$$...***.", "............................................................", " .......................................................... "}; ./arbsrc_9167/lib/pixmaps/colors.xpm0000644012664100000130000000300711213220012017375 0ustar arb_buildcoders/* XPM */ static char * colors_xpm[] = { "60 20 14 1", " c None", ". c #545454", "+ c #FF0000", "@ c #FF00FF", "# c #99FF66", "$ c #FFCCFF", "% c #D93600", "& c #FFCC00", "* c #00FF00", "= c #FFC0C0", "- c #FF9933", "; c #FFFF99", "> c #00FFFF", ", c #0099FF", " .......................................................... ", "............................................................", "..++++++...@@@@@@....######....$$$$$$....%%%%%%....&&&&&&...", "..++++++...@@@@@@....######....$$$$$$....%%%%%%....&&&&&&...", "..++++++...@@@@@@....######....$$$$$$....%%%%%%....&&&&&&...", "..++++++...@@@@@@....######....$$$$$$....%%%%%%....&&&&&&...", "..++++++...@@@@@@....######....$$$$$$....%%%%%%....&&&&&&...", "..++++++...@@@@@@....######....$$$$$$....%%%%%%....&&&&&&...", "............................................................", "............................................................", "............................................................", "..******...======....-------...;;;;;;....>>>>>>....,,,,,,...", "..******...======....-------...;;;;;;....>>>>>>....,,,,,,...", "..******...======....-------...;;;;;;....>>>>>>....,,,,,,...", "..******...======....-------...;;;;;;....>>>>>>....,,,,,,...", "..******...======....-------...;;;;;;....>>>>>>....,,,,,,...", "..******...======....-------...;;;;;;....>>>>>>....,,,,,,...", "............................................................", "............................................................", " .......................................................... "}; ./arbsrc_9167/lib/pixmaps/conf_save.xpm0000644012664100000130000000146711213220012020047 0ustar arb_buildcoders/* XPM */ static char * conf_save_xpm[] = { "22 22 13 1", " c None", ". c #000000", "+ c #0000CC", "@ c #FFFFFF", "# c #DCDCDC", "$ c #A0A0A0", "% c #C3C3C3", "& c #000066", "* c #808080", "= c #FFA858", "- c #FFDCA8", "; c #FFFFC0", "> c #585858", " ", " ............. ", " .+@@@@@@@@++. ", " .+@.....@@++. ", " .+@@@@@@@@++. ", " .+@...@@@@++. ", " .+@@@@@@@@++. ", " ..+@@@@@@@@++. ", " .. .##.+..+++++++. ", " .#$.$%%$.$#.&&&&&+. ", " .$#*$==$*#$.&&&&&+. ", " .*==-=-=*.%%%%&&+. ", " ..#$=-**=-$#..&%&&+. ", ".#%$=-=$$-;=$%#.%&&+. ", ".*$#*-;--@;*#$*...... ", " .>>#*-;@-*#>>. ", " .*%##**##%*. ", " .$@*>*##*>*@$. ", " .#$>..$$..>$#. ", " ... .#@. ... ", " .>*. ", " .. "}; ./arbsrc_9167/lib/pixmaps/dendroIrs.xpm0000644012664100000130000000147611213220012020035 0ustar arb_buildcoders/* XPM */ static const unsigned char * dendroirs_xpm[] = { "24 24 6 1", " c None", "! c black", "# c #C9C9C9", "$ c #959595", "% c #4A4A4A", "& c #E3E3E3", " ", " #!!!!!!!!!!!!!!!!$ ", " ! ", " ! %%%% ", " #!!!# %%%% !!!!!!!!!$ ", " ! $ %%%% $ ", " ! ! %%%% ! %%%% ", " ! ! ! %%%% ", " ! #!!!!!#!! %%%% ", " ! ! %%%% ", "!& ! ", " ! #!!!!!!!!$ ", " ! ", " ! $!!!!#!!!#!!!!!!!$ ", " ! $ ", " ! ! %%%% ", " #!!!! %%%% #!!!!!!$ ", " ! %%%% ! ", " ! %%%% ! %%%% ", " ! ! %%%% ", " !$!!!!!!!!! ", " ! !!!!!!!$ ", " ! %%%% # ", " ! %%%% $ %%% "};./arbsrc_9167/lib/pixmaps/dendro.xpm0000644012664100000130000000147311213220012017354 0ustar arb_buildcoders/* XPM */ static const unsigned char * dendro_xpm[] = { "24 24 6 1", " c None", "! c black", "# c #808080", "$ c #464646", "% c #C0C0C0", "& c #545454", " !!!!#$$$$$$$$ ", " ! ", " ! ##### ", " !!!!######## ", " ! ######### ", " !!!!! ", " ! ! ", " ! ! %%%% ", " ! !!!!#%%%%%%% ", " !!!!! %%%%%%%%% ", " ! ! ", " ! ! !!!#$$$$$$$$$ ", "!! !!!!!! ", " ! ! ######### ", " ! ! ####### ", " ! !!!###### ", " ! !!! ", " ! ! !#!!!!!!!!! ", " !!!!! ! ", " ! !!!!! ", " ! ! !&&$$$$$$$$ ", " ! ! !!#$$$$$$ ", " !!!! $$$$ ", " ! "};./arbsrc_9167/lib/pixmaps/diamond.bitmap0000644012664100000130000000044511213220012020162 0ustar arb_buildcoders#define diamond_width 16 #define diamond_height 16 static unsigned char diamond_bits[] = { 0x00, 0x00, 0xc0, 0x01, 0xe0, 0x03, 0xf0, 0x07, 0xf8, 0x0f, 0xfc, 0x1f, 0xfe, 0x3f, 0xff, 0x7f, 0xff, 0x7f, 0xfe, 0x3f, 0xfc, 0x1f, 0xf8, 0x0f, 0xf0, 0x07, 0xe0, 0x03, 0xc0, 0x01, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/3to5.bitmap0000644012664100000130000000073711213220012020272 0ustar arb_buildcoders#define 3to5_width 49 #define 3to5_height 9 static unsigned char 3to5_bits[] = { 0x00, 0x03, 0x00, 0x00, 0x00, 0x80, 0x01, 0x1f, 0x03, 0x00, 0x00, 0x80, 0x87, 0x01, 0x03, 0xc3, 0x00, 0x00, 0xc0, 0x8c, 0x01, 0x03, 0x60, 0x00, 0x00, 0x00, 0x0c, 0x00, 0x0f, 0xf0, 0xff, 0xff, 0x03, 0x07, 0x00, 0x18, 0xf0, 0xff, 0xff, 0x03, 0x0c, 0x00, 0x18, 0x60, 0x00, 0x00, 0x00, 0x0c, 0x00, 0x19, 0xc0, 0x00, 0x00, 0xc0, 0x0c, 0x00, 0x0f, 0x00, 0x00, 0x00, 0x80, 0x07, 0x00 }; ./arbsrc_9167/lib/pixmaps/edit/5to3.bitmap0000644012664100000130000000073711213220012020272 0ustar arb_buildcoders#define 5to3_width 49 #define 5to3_height 9 static unsigned char 5to3_bits[] = { 0x00, 0x03, 0x00, 0x00, 0x00, 0x80, 0x01, 0x1f, 0x03, 0x00, 0x00, 0x80, 0x87, 0x01, 0x03, 0x03, 0x00, 0x80, 0xc1, 0x8c, 0x01, 0x03, 0x00, 0x00, 0x00, 0x03, 0x0c, 0x00, 0x0f, 0xc0, 0xff, 0xff, 0x07, 0x07, 0x00, 0x18, 0xc0, 0xff, 0xff, 0x07, 0x0c, 0x00, 0x18, 0x00, 0x00, 0x00, 0x03, 0x0c, 0x00, 0x19, 0x00, 0x00, 0x80, 0xc1, 0x0c, 0x00, 0x0f, 0x00, 0x00, 0x00, 0x80, 0x07, 0x00 }; ./arbsrc_9167/lib/pixmaps/edit/align.xpm0000644012664100000130000000155711213220012020123 0ustar arb_buildcoders/* XPM */ static char * align_xpm[] = { "60 12 4 1", " c None", ". c #00A100", "+ c #008000", "@ c #FFFFFF", " .++++++++++++++++++++++++++++++++++++++++++++++++++++++++. ", ".++++++++++++++++++++++++++++++++++++++++++++++++++++++++++.", "+++++++++++++++@@@+++@@++++@@@@++@@@@@@+@@+++@++++++++++++++", "+++++++++++++++@@@+++@@+++++@@++@@++++++@@@++@++++++++++++++", "++++++++++++++@@+@@++@@+++++@@++@@++++++@@@@+@++++++++++++++", "++++++++++++++@@+@@++@@+++++@@++@@++++++@+@@@@++++++++++++++", "++++++++++++++@@+@@++@@+++++@@++@@++@@@+@++@@@++++++++++++++", "+++++++++++++@@@@@@@+@@+++++@@++@@+++@@+@+++@@++++++++++++++", "+++++++++++++@@+++@@+@@+++++@@++@@+++@@+@++++@++++++++++++++", "+++++++++++++@@+++@@+@@@@@+@@@@++@@@@@@+@++++@++++++++++++++", ".++++++++++++++++++++++++++++++++++++++++++++++++++++++++++.", " .++++++++++++++++++++++++++++++++++++++++++++++++++++++++. "}; ./arbsrc_9167/lib/pixmaps/edit/arrow.bitmap0000644012664100000130000000101711213220012020622 0ustar arb_buildcoders#define arrow_width 24 #define arrow_height 24 static char arrow_bits[] = { 0x00, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x7c, 0x00, 0x00, 0xf8, 0x03, 0x00, 0xf8, 0x1f, 0x00, 0xf8, 0x7f, 0x00, 0xf0, 0xff, 0x00, 0xf0, 0xff, 0x00, 0xf0, 0x0f, 0x00, 0xe0, 0x1f, 0x00, 0xe0, 0x3f, 0x00, 0xe0, 0x79, 0x00, 0xc0, 0xf1, 0x00, 0xc0, 0xe1, 0x01, 0x80, 0xc1, 0x03, 0x00, 0x80, 0x07, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x22, 0x13, 0x7d, 0xb6, 0x14, 0x09, 0xaa, 0x14, 0x39, 0xa2, 0xa4, 0x08, 0x22, 0x43, 0x7c, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/clear.bitmap0000644012664100000130000000036211213220012020560 0ustar arb_buildcoders#define clear_width 13 #define clear_height 13 static char clear_bits[] = { 0x00, 0x00, 0x02, 0x04, 0x06, 0x06, 0x0c, 0x03, 0x98, 0x01, 0xf0, 0x00, 0x60, 0x00, 0xf0, 0x00, 0x98, 0x01, 0x0c, 0x03, 0x06, 0x06, 0x02, 0x04, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/cons.bitmap0000644012664100000130000000050611213220012020434 0ustar arb_buildcoders#define cons_width 29 #define cons_height 10 static char cons_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x38, 0x27, 0xe4, 0x00, 0x84, 0x68, 0x14, 0x00, 0x84, 0xa8, 0x14, 0x00, 0x84, 0x28, 0x65, 0x00, 0x84, 0x28, 0x86, 0x00, 0x38, 0x27, 0x74, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/detail.bitmap0000644012664100000130000000041511213220012020733 0ustar arb_buildcoders#define detail_width 18 #define detail_height 10 static char detail_bits[] = { 0xfe, 0xff, 0x01, 0x02, 0x00, 0x01, 0xba, 0x7f, 0x01, 0x82, 0x40, 0x01, 0xba, 0x7f, 0x01, 0x02, 0x00, 0x01, 0xfa, 0x7f, 0x01, 0xfa, 0x7f, 0x01, 0x02, 0x00, 0x01, 0xfe, 0xff, 0x01}; ./arbsrc_9167/lib/pixmaps/edit/editseq.xpm0000644012664100000130000000156111213220012020462 0ustar arb_buildcoders/* XPM */ static char * editseq_xpm[] = { "60 12 4 1", " c None", ". c #FF4343", "+ c #FF0000", "@ c #FFFFFF", " .++++++++++++++++++++++++++++++++++++++++++++++++++++++++. ", ".++++++++++++++++++++++++++++++++++++++++++++++++++++++++++.", "++++++++++++++++++@@@@@+@@@@@+++@@@@+@@@@@@+++++++++++++++++", "++++++++++++++++++@@++++@@++@@+++@@++++@@+++++++++++++++++++", "++++++++++++++++++@@++++@@+++@@++@@++++@@+++++++++++++++++++", "++++++++++++++++++@@@@@+@@+++@@++@@++++@@+++++++++++++++++++", "++++++++++++++++++@@++++@@+++@@++@@++++@@+++++++++++++++++++", "++++++++++++++++++@@++++@@+++@@++@@++++@@+++++++++++++++++++", "++++++++++++++++++@@++++@@++@@+++@@++++@@+++++++++++++++++++", "++++++++++++++++++@@@@@+@@@@@+++@@@@+++@@+++++++++++++++++++", ".++++++++++++++++++++++++++++++++++++++++++++++++++++++++++.", " .++++++++++++++++++++++++++++++++++++++++++++++++++++++++. "}; ./arbsrc_9167/lib/pixmaps/edit/keymap.bitmap0000644012664100000130000000051411213220012020757 0ustar arb_buildcoders#define keymap_width 29 #define keymap_height 10 static char keymap_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe9, 0x52, 0x64, 0x0e, 0x25, 0xd2, 0x96, 0x12, 0x23, 0xcc, 0x96, 0x12, 0x63, 0x48, 0xf5, 0x0e, 0x25, 0x44, 0x94, 0x02, 0xe9, 0x44, 0x94, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/kill.bitmap0000644012664100000130000000101411213220012020420 0ustar arb_buildcoders#define kill_width 24 #define kill_height 24 static char kill_bits[] = { 0x00, 0x00, 0x00, 0x00, 0xff, 0x01, 0xc0, 0x01, 0x07, 0x60, 0x00, 0x0c, 0x30, 0x00, 0x18, 0x10, 0xc7, 0x11, 0x90, 0xef, 0x13, 0x90, 0xef, 0x13, 0x30, 0xd7, 0x19, 0x20, 0x10, 0x08, 0x60, 0x38, 0x0c, 0xc0, 0x7c, 0x06, 0x80, 0x01, 0x03, 0x00, 0xff, 0x01, 0x00, 0x55, 0x01, 0x00, 0xff, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa4, 0x3b, 0x0e, 0x14, 0x11, 0x04, 0x0c, 0x11, 0x04, 0x14, 0x91, 0x24, 0xa4, 0xfb, 0x3e, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/l2r.bitmap0000644012664100000130000000106011440743000020176 0ustar arb_buildcoders#define l2r_width 45 #define l2r_height 13 static char l2r_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x30, 0x00, 0x00, 0x00, 0x03, 0x00, 0x30, 0x00, 0x02, 0x00, 0x03, 0xf0, 0x1b, 0x00, 0x06, 0x9e, 0x01, 0xf0, 0x03, 0xfe, 0x0f, 0x3e, 0x00, 0x30, 0x00, 0xfe, 0x0f, 0x30, 0x00, 0xf0, 0x01, 0x00, 0x06, 0x30, 0x00, 0xf0, 0x03, 0x00, 0x02, 0x3c, 0x00, 0x00, 0x03, 0x00, 0x00, 0x30, 0x00, 0x00, 0x63, 0x66, 0x66, 0x30, 0x00, 0xf0, 0x63, 0x66, 0x66, 0x3e, 0x00, 0xf0, 0x01, 0x00, 0x00, 0x1e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/last.bitmap0000644012664100000130000000050611213220012020435 0ustar arb_buildcoders#define last_width 29 #define last_height 10 static char last_bits[] = { 0x00, 0x84, 0x71, 0x1f, 0x00, 0x44, 0x0a, 0x15, 0x00, 0x44, 0x0a, 0x04, 0x00, 0x44, 0x32, 0x04, 0x00, 0xc4, 0x43, 0x04, 0xb0, 0x45, 0x42, 0x04, 0xd8, 0x5c, 0x3a, 0x04, 0x6c, 0x00, 0x00, 0x00, 0xf6, 0xff, 0xff, 0x1f, 0xfb, 0xff, 0xff, 0x1f}; ./arbsrc_9167/lib/pixmaps/edit/mark.bitmap0000644012664100000130000000101411213220012020417 0ustar arb_buildcoders#define mark_width 24 #define mark_height 24 static char mark_bits[] = { 0x00, 0x80, 0x00, 0x00, 0x40, 0x01, 0x00, 0x20, 0x03, 0x00, 0x90, 0x07, 0x00, 0xc8, 0x0f, 0x00, 0xe4, 0x0f, 0x00, 0xf2, 0x07, 0x00, 0xf9, 0x03, 0x80, 0xfc, 0x01, 0x40, 0xfe, 0x00, 0x20, 0x7f, 0x00, 0x80, 0x3f, 0x00, 0x90, 0x1f, 0x00, 0x30, 0x0f, 0x00, 0x70, 0x06, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x01, 0x00, 0x00, 0x00, 0x00, 0x44, 0xe6, 0x24, 0x7c, 0x29, 0x15, 0x44, 0x2f, 0x0d, 0x44, 0xe9, 0x0c, 0x44, 0x29, 0x15, 0x44, 0x29, 0x25}; ./arbsrc_9167/lib/pixmaps/edit/next.bitmap0000644012664100000130000000050611213220012020450 0ustar arb_buildcoders#define next_width 29 #define next_height 10 static char next_bits[] = { 0xd2, 0x45, 0x1f, 0x00, 0x52, 0x44, 0x15, 0x00, 0x56, 0x28, 0x04, 0x00, 0xda, 0x11, 0x04, 0x00, 0x52, 0x28, 0x04, 0x00, 0x52, 0x44, 0xb4, 0x01, 0xd2, 0x45, 0x64, 0x03, 0x00, 0x00, 0xc0, 0x06, 0xff, 0xff, 0xff, 0x0d, 0xff, 0xff, 0xff, 0x1b}; ./arbsrc_9167/lib/pixmaps/edit/nocons.bitmap0000644012664100000130000000051411213220012020770 0ustar arb_buildcoders#define nocons_width 29 #define nocons_height 10 static char nocons_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x38, 0x27, 0xe4, 0x00, 0x84, 0x68, 0x14, 0x00, 0xff, 0xff, 0xff, 0x0f, 0x84, 0x28, 0x65, 0x00, 0x84, 0x28, 0x86, 0x00, 0x38, 0x27, 0x74, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/nokeymap.bitmap0000644012664100000130000000052211213220012021313 0ustar arb_buildcoders#define nokeymap_width 29 #define nokeymap_height 10 static char nokeymap_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe9, 0x52, 0x64, 0x0e, 0x25, 0xd2, 0x96, 0x12, 0xff, 0xff, 0xff, 0x1f, 0x63, 0x48, 0xf5, 0x0e, 0x25, 0x44, 0x94, 0x02, 0xe9, 0x44, 0x94, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/norepeat.bitmap0000644012664100000130000000052211213220012021305 0ustar arb_buildcoders#define norepeat_width 29 #define norepeat_height 10 static char norepeat_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xce, 0x9d, 0x33, 0x07, 0x52, 0xa4, 0x48, 0x02, 0xff, 0xff, 0xff, 0x0f, 0xce, 0x9c, 0x79, 0x02, 0x4a, 0x84, 0x48, 0x02, 0xd2, 0x85, 0x4b, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/r2l.bitmap0000644012664100000130000000106011440743000020176 0ustar arb_buildcoders#define r2l_width 45 #define r2l_height 13 static char r2l_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x30, 0x00, 0x00, 0x00, 0x03, 0x00, 0x30, 0x08, 0x00, 0x00, 0x03, 0xf0, 0x1b, 0x0c, 0x00, 0x9e, 0x01, 0xf0, 0x03, 0xfe, 0x0f, 0x3e, 0x00, 0x30, 0x00, 0xfe, 0x0f, 0x30, 0x00, 0xf0, 0x01, 0x0c, 0x00, 0x30, 0x00, 0xf0, 0x03, 0x08, 0x00, 0x3c, 0x00, 0x00, 0x03, 0x00, 0x00, 0x30, 0x00, 0x00, 0x63, 0x66, 0x66, 0x30, 0x00, 0xf0, 0x63, 0x66, 0x66, 0x3e, 0x00, 0xf0, 0x01, 0x00, 0x00, 0x1e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/repeat.bitmap0000644012664100000130000000051411213220012020751 0ustar arb_buildcoders#define repeat_width 29 #define repeat_height 10 static char repeat_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xce, 0x9d, 0x33, 0x07, 0x52, 0xa4, 0x48, 0x02, 0x52, 0xa4, 0x48, 0x02, 0xce, 0x9c, 0x79, 0x02, 0x4a, 0x84, 0x48, 0x02, 0xd2, 0x85, 0x4b, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/rna3d.xpm0000644012664100000130000000216211213220012020031 0ustar arb_buildcoders/* XPM */ static char * rna3d_xpm[] = { "42 22 5 1", " c None", ". c #F1F1F1", "+ c #464646", "@ c #FF2B08", "# c #802B08", "..................+++.....................", "...............+++.+.++...................", "..............+..+..+.++++++++............", "............+++..+.++++....+..++..........", "++++++.....++..++++...++..+..+..++........", ".+.+..+...+.++++........++..+...+.++......", ".+.+..+..+.++............+.+...+..+.+....+", ".+.+..+++++++++++.........+..++..+..+..++.", "+++++++++...+....++........++....+...+++++", ".....++..+..+..++..+.........+++++++++++..", "+++++....+.+..+...+.+............++.+..+..", ".+.+......++.+...+..++........++++.+...+..", ".++.........++..+..+..++...++++..++.....++", ".+..@@..@@@@..++..+....++++.+..+++........", "...@##@.#@##@...++++++++.+..+..+..........", "...##.@#.@#.#@.........++.+.+++...........", ".....@##.@#..@#..........+++..............", "......@#.@#..@#...........................", "...@#.@#.@#.@##...........................", "...#@@##@@@@##............................", "....###.#####.............................", ".........................................."}; ./arbsrc_9167/lib/pixmaps/edit/secedit.xpm0000644012664100000130000001126711213220012020450 0ustar arb_buildcoders/* XPM */ static char * secedit_xpm[] = { "42 22 175 2", " c None", ". c #F2F2F2", "+ c #808080", "@ c #1F1F1F", "# c #828282", "$ c #B5B5B5", "% c #E7E7E7", "& c #F1F1F1", "* c #E0E0E0", "= c #8F8F8F", "- c #616161", "; c #CFCFCF", "> c #242424", ", c #7F7F7F", "' c #393939", ") c #CACACA", "! c #5A5A5A", "~ c #9D9D9D", "{ c #EFEFEF", "] c #8E8E8E", "^ c #8C8C8C", "/ c #0F0F0F", "( c #696969", "_ c #4F4F4F", ": c #8D8D8D", "< c #353535", "[ c #676767", "} c #4A4A4A", "| c #474747", "1 c #000000", "2 c #EAEAEA", "3 c #E8E8E8", "4 c #737373", "5 c #BABABA", "6 c #666666", "7 c #D1D1D1", "8 c #6C6C6C", "9 c #4E4E4E", "0 c #A9A9A9", "a c #ADADAD", "b c #DCDCDC", "c c #D0D0D0", "d c #9F9F9F", "e c #C4C4C4", "f c #191919", "g c #CDCDCD", "h c #A8A8A8", "i c #252525", "j c #B3B3B3", "k c #080808", "l c #AAAAAA", "m c #818181", "n c #BBBBBB", "o c #DFDFDF", "p c #EDEDED", "q c #BCBCBC", "r c #BEBEBE", "s c #ABABAB", "t c #141414", "u c #A5A5A5", "v c #919191", "w c #C1C1C1", "x c #878787", "y c #7B7B7B", "z c #A3A3A3", "A c #ACACAC", "B c #575757", "C c #464646", "D c #939393", "E c #B7B7B7", "F c #3A3A3A", "G c #565656", "H c #545454", "I c #949494", "J c #A7A7A7", "K c #C7C7C7", "L c #848484", "M c #1B1B1B", "N c #979797", "O c #727272", "P c #C6C6C6", "Q c #8B8B8B", "R c #B0B0B0", "S c #525252", "T c #757575", "U c #1E1E1E", "V c #2E2E2E", "W c #909090", "X c #717171", "Y c #929292", "Z c #E1E1E1", "` c #2D2D2D", " . c #7E7E7E", ".. c #858585", "+. c #3C3C3C", "@. c #5F5F5F", "#. c #D4D4D4", "$. c #DADADA", "%. c #3F3F3F", "&. c #D8D8D8", "*. c #7C7C7C", "=. c #6E6E6E", "-. c #BDBDBD", ";. c #C9C9C9", ">. c #D5D5D5", ",. c #3E3E3E", "'. c #DDDDDD", "). c #7A7A7A", "!. c #C8C8C8", "~. c #B9B9B9", "{. c #444444", "]. c #B2B2B2", "^. c #9B9B9B", "/. c #BFBFBF", "(. c #797979", "_. c #E5E5E5", ":. c #5D5D5D", "<. c #505050", "[. c #030303", "}. c #6A6A6A", "|. c #D9D9D9", "1. c #C3C3C3", "2. c #D2D2D2", "3. c #999999", "4. c #A1A1A1", "5. c #707070", "6. c #202020", "7. c #8A8A8A", "8. c #CECECE", "9. c #4C4C4C", "0. c #CCCCCC", "a. c #AEAEAE", "b. c #454545", "c. c #4B4B4B", "d. c #686868", "e. c #E9E9E9", "f. c #DEDEDE", "g. c #D3D3D3", "h. c #6B6B6B", "i. c #373737", "j. c #B4B4B4", "k. c #E2E2E2", "l. c #7D7D7D", "m. c #868686", "n. c #3B3B3B", "o. c #C5C5C5", "p. c #494949", "q. c #A6A6A6", "r. c #838383", "s. c #787878", "t. c #636363", "u. c #888888", "v. c #767676", "w. c #747474", "x. c #969696", "y. c #0D0D0D", "z. c #585858", "A. c #E6E6E6", "B. c #212121", "C. c #9A9A9A", "D. c #6F6F6F", "E. c #111111", "F. c #414141", "G. c #AFAFAF", "H. c #B1B1B1", "I. c #6D6D6D", "J. c #5B5B5B", "K. c #F0F0F0", "L. c #989898", "M. c #B6B6B6", "N. c #959595", "O. c #EEEEEE", "P. c #B8B8B8", "Q. c #404040", "R. c #898989", ". . . . . . . . . + . @ # $ % & & & * = - ; > , ' ) ! ~ { & & & & & & & & & & & & & ", ". . . . . . . . . + ] ] ^ / ( _ & & & * : < [ & } | ~ { & & & & & & & & & & & & & & ", ". . . 1 1 . . . . 2 3 4 / 5 & 6 * & & & 7 8 & & & 9 0 a b { & & & & & & & & & & & & ", "+ + 1 . . 1 . . & & & c d & e f g & & & h i 7 & j k h l m + n o p q r & & & & & & & ", "1 . 1 . . 1 . & & & & s t u f v & & & w x y i z k : A z B C D E F _ G H w & & & & & ", "+ + 1 . . 1 I * & & & & J K u & & & w L M N O P a & & & ) e Q R S & & T l U & & & & ", "& & & 1 1 V W = * & & & & & & & & w X Y = ~ p & & & & & & & * Z ` ...t +.@.#.& & & ", "& & & & $.+ D %.= * & & & & & & w , $ _ ~ p & & & & & & & & & & &.*. .=.w -.;.c & & ", "& & & & & >. .l .= * & & & & w ^ ,.*.~ p & & & & & & & & & & & '.).!.~.& & & & & & ", "& & & & & & >., {.].= ^...& /.(.- 0 ~ p & & & & & & & & & & & & _.:.] 0 & & & & & & ", "& & & & & & & >.m H <.[.M ).> &.}.~ p & & & & & & & & & 2 |.1.& & q 2.: p & & & & & ", "& & & & & & & & E } & >.o & 8 V 3.p & & & & & & & & & & 4.5.6.7.o d z 8.& & & & & & ", "& & & & & & & & J 9.& & & & & 4 2 & & & & & & & & & & & D 8 0...a.b.c.J & & & & & & ", "& & & & & & & & f d.& & & & e.` ..& & & & & & & & & & r ^ F G M [.J a.[.J 8.$.f.8.g.", "& & & & & & & & e h.& & & & & {.i.j.a.p 2 & & & p & ~.v k.a d L J & & a.l.m.n.o.( p.", "& & & & & & & & q.` &.& & & & l.* +.*.r...0.$.e.,.s.U ; R d & T 8 & & 4 t.u.v.$ (.!.", "& & & & & & & w u.w.` J I m x.y.4.R * O W ! z.[ 8 & (.> N & & e.,.8 4 i.k.A.& & & & ", "& & & & & & w r.B.C.D./.E.F.@.r !.w = G.5 - H.I.J.& & (.K.& & & e.^.~ k.& & & & & & ", "& & & & & & T L.^ ~ & ; (.A.a ) & & o % & j M.N.} J.a.[.u & & & & & & & & K.& & & & ", "& & & & & & -._ ~ & & & 5 f.].e & & & & & & & O.R B N.z., P.& & & & & & & & & & & & ", "& & & & & & & & & & & & A *.Q.R.e & & & & & & 8., , A.P , , P.& & & & & & & & & & & ", "& & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & & "}; ./arbsrc_9167/lib/pixmaps/edit/unused/3to5.xpm0000644012664100000130000000234311213220012021120 0ustar arb_buildcoders/* XPM */ static char *to5[]={ "60 18 4 1", "b c None", ". c None", "# c #000000", "a c #959595", "............................................................", "............................................................", "............................................................", "............................................................", "...............##.....................................##....", ".......#####...##.....aa.............bbb......####....##....", ".......##......##....##...............bb.....##..##...##....", ".......##...........##.................bb........##.........", ".......####........######################a.....###..........", "..........##.......######################a.......##.........", "..........##........##.................bb........##.........", ".......#..##.........##..............bbb.....##..##.........", ".......####...........aa.............bbb......####..........", "............................................................", "............................................................", "............................................................", "............................................................", "............................................................"}; ./arbsrc_9167/lib/pixmaps/edit/unused/5to3.xpm0000644012664100000130000000237411213220012021124 0ustar arb_buildcoders/* XPM */ static const unsigned char * s5to3_xpm[] = { "60 18 4 1", " c None", "! c black", "# c #959595", "$ c #A5A5A5", " ", " ", " ", " ", " !! !! ", " !!!!! !! #$ !!!! !! ", " !! !! !! !! !! !! ", " !! !! !! ", " !!!! #!!!!!!!!!!!!!!!!!!!!! !!! ", " !! #!!!!!!!!!!!!!!!!!!!!! !! ", " !! !! !! ", " ! !! !! !! !! ", " !!!! #$ !!!! ", " ", " ", " ", " ", " "};./arbsrc_9167/lib/pixmaps/edit/unused/align.bitmap0000644012664100000130000000104411213220012022065 0ustar arb_buildcoders#define align_width 34 #define align_height 15 static char align_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x30, 0x0c, 0x00, 0x00, 0x00, 0x48, 0x08, 0x01, 0x00, 0x00, 0x84, 0x08, 0x00, 0x00, 0x00, 0x84, 0x88, 0x71, 0x75, 0x00, 0x84, 0x08, 0x89, 0x8c, 0x00, 0xfc, 0x08, 0x89, 0x84, 0x00, 0x84, 0x08, 0x71, 0x84, 0x00, 0x84, 0x08, 0x09, 0x84, 0x00, 0x84, 0x9c, 0xf3, 0x84, 0x00, 0x00, 0x00, 0x08, 0x01, 0x00, 0x00, 0x00, 0xf0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/edit_sec.bitmap0000644012664100000130000000107711213220012022560 0ustar arb_buildcoders#define edit_sec_width 45 #define edit_sec_height 13 static char edit_sec_bits[] = { 0xc0, 0x01, 0x04, 0x40, 0x00, 0x00, 0x20, 0x02, 0x02, 0x80, 0x00, 0x00, 0x10, 0xfc, 0x03, 0x80, 0x00, 0x00, 0x10, 0x00, 0x00, 0x80, 0x00, 0x00, 0x10, 0xfc, 0x01, 0x00, 0x03, 0x00, 0x20, 0x02, 0x02, 0x00, 0x0c, 0x0e, 0x90, 0x01, 0x02, 0x80, 0x33, 0x11, 0x4f, 0x00, 0x02, 0x80, 0xcc, 0x00, 0x20, 0x00, 0x04, 0x40, 0x30, 0x00, 0x10, 0x00, 0x04, 0x40, 0xc0, 0x00, 0x20, 0x00, 0x18, 0x30, 0x00, 0x11, 0x20, 0x00, 0xe0, 0x0f, 0x00, 0x0e, 0x20, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/folded.bitmap0000644012664100000130000000043111213220012022227 0ustar arb_buildcoders#define folded_width 16 #define folded_height 16 static char folded_bits[] = { 0x00, 0x00, 0x60, 0x00, 0xe0, 0x00, 0xe0, 0x01, 0xe0, 0x03, 0xe0, 0x07, 0xe0, 0x0f, 0xe0, 0x1f, 0xe0, 0x1f, 0xe0, 0x0f, 0xe0, 0x07, 0xe0, 0x03, 0xe0, 0x01, 0xe0, 0x00, 0x60, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/insert.bitmap0000644012664100000130000000134111213220012022277 0ustar arb_buildcoders#define insert_width 52 #define insert_height 15 static char insert_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x00, 0x00, 0x00, 0x00, 0x02, 0x00, 0x80, 0x00, 0x00, 0x00, 0x00, 0x02, 0x00, 0x80, 0xd8, 0xf1, 0x78, 0xba, 0x0f, 0x00, 0x80, 0x30, 0x0a, 0x85, 0x44, 0x02, 0x00, 0x80, 0x10, 0x32, 0xfc, 0x04, 0x02, 0x00, 0x80, 0x10, 0xc2, 0x04, 0x04, 0x02, 0x00, 0x80, 0x10, 0x0a, 0x85, 0x04, 0x22, 0x00, 0xe0, 0x13, 0xf2, 0x78, 0x04, 0x1c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/insert.xpm0000644012664100000130000000233711213220012021635 0ustar arb_buildcoders/* XPM */ static const unsigned char * insert_xpm[] = { "60 18 2 1", " c None", "! c black", " ", " ", " ", " ", " ", " !!!! !! ", " !! !! ", " !! !!!!! !!!! !!!! !! ! !!!! ", " !! !! !! !! !! !! !!!! !! ", " !! !! !! !!!! !!!!!! !! !! ", " !! !! !! !!!! !! !! !! ", " !! !! !! !! !! !! !! ", " !!!! !! !! !!!! !!!!! !! !!! ", " ", " ", " ", " ", " "};./arbsrc_9167/lib/pixmaps/edit/unused/noalign.bitmap0000644012664100000130000000105211213220012022421 0ustar arb_buildcoders#define noalign_width 34 #define noalign_height 15 static char noalign_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf0, 0x03, 0x01, 0x00, 0x00, 0x10, 0x00, 0x11, 0x02, 0x00, 0x10, 0x00, 0x01, 0x02, 0x00, 0x10, 0x70, 0x19, 0x0f, 0x00, 0xf0, 0x88, 0x11, 0x02, 0x00, 0x10, 0x08, 0x11, 0x02, 0x00, 0x10, 0x08, 0x11, 0x02, 0x00, 0x10, 0x88, 0x11, 0x22, 0x00, 0xf0, 0x73, 0x7d, 0x1c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/probeInfo.bitmap0000644012664100000130000000104411213220012022716 0ustar arb_buildcoders#define probeInfo_width 24 #define probeInfo_height 24 static unsigned char probeInfo_bits[] = { 0x00, 0x20, 0x08, 0x00, 0x30, 0x18, 0x00, 0x4c, 0x14, 0x3e, 0xb3, 0x27, 0xc1, 0x0c, 0x48, 0x80, 0x83, 0x97, 0x80, 0x80, 0x2f, 0x80, 0x00, 0x58, 0x80, 0x06, 0x34, 0x80, 0x36, 0x04, 0xc1, 0xc6, 0x04, 0x3e, 0x0d, 0x05, 0x40, 0x1a, 0x06, 0x80, 0x34, 0x04, 0x00, 0x69, 0x1f, 0x00, 0x42, 0x0e, 0x00, 0x00, 0x04, 0x00, 0x00, 0x00, 0xdc, 0xdd, 0x1d, 0x54, 0x55, 0x05, 0xdc, 0xd5, 0x1d, 0xc4, 0x54, 0x05, 0x44, 0xdd, 0x1d, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/replace.bitmap0000644012664100000130000000134411213220012022411 0ustar arb_buildcoders#define replace_width 50 #define replace_height 15 static char replace_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7c, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x84, 0x00, 0x00, 0x01, 0x00, 0x00, 0x00, 0x84, 0x00, 0x00, 0x01, 0x00, 0x00, 0x00, 0x84, 0x3c, 0x1d, 0xe1, 0xf1, 0x78, 0x00, 0x7c, 0x42, 0x23, 0x01, 0x0a, 0x85, 0x00, 0x14, 0x7e, 0x21, 0xe1, 0x0b, 0xfc, 0x00, 0x24, 0x02, 0x23, 0x11, 0x0a, 0x04, 0x00, 0x44, 0x42, 0x1d, 0x11, 0x0b, 0x85, 0x00, 0x84, 0x3c, 0xc1, 0xe7, 0xf2, 0x78, 0x00, 0x00, 0x00, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/replace.xpm0000644012664100000130000000234011213220012021736 0ustar arb_buildcoders/* XPM */ static const unsigned char * replace_xpm[] = { "60 18 2 1", " c None", "! c black", " ", " ", " ", " ", " !! ", " !!!!! !! ", " !! !! !! ", " !! !! !!!! !!!!! !! !!!! !!!! !!!! ", " !! !! !! !! !! !! !! !! !! !! !! ", " !!!!! !!!!!! !! !! !! !!!!! !! !!!!!! ", " !! !! !! !! !! !! !! !! !! !! ", " !! !! !! !! !! !! !! !! !! !! ", " !! !! !!!!! !!!!! !! !!!!! !!!! !!!!! ", " !! ", " !! ", " ", " ", " "};./arbsrc_9167/lib/pixmaps/edit/unused/rna3D.bitmap0000644012664100000130000000156711213220012021754 0ustar arb_buildcoders#define rna3D_width 32 #define rna3D_height 32 static unsigned char rna3D_bits[] = { 0x00, 0x00, 0x00, 0x00, 0xfe, 0x8f, 0x1f, 0x00, 0xfe, 0x8f, 0x7f, 0x00, 0xfe, 0x8f, 0xff, 0x01, 0xfe, 0x8f, 0xff, 0x01, 0x00, 0x8f, 0xff, 0x03, 0x00, 0x8f, 0xff, 0x03, 0x00, 0x8f, 0xff, 0x07, 0x80, 0x8f, 0xff, 0x07, 0xc0, 0x87, 0xff, 0x0f, 0xc0, 0x83, 0xff, 0x1f, 0xe0, 0x81, 0xff, 0x1f, 0xf0, 0x81, 0xff, 0x1f, 0xf0, 0x80, 0xff, 0x1f, 0x78, 0x80, 0xff, 0x1f, 0x7e, 0x80, 0xff, 0x1f, 0xfe, 0x80, 0xff, 0x1f, 0xfe, 0x81, 0xff, 0x1f, 0xf8, 0x83, 0xff, 0x1f, 0xe0, 0x87, 0xff, 0x1f, 0x80, 0x8f, 0xff, 0x1f, 0x00, 0x9f, 0xff, 0x1f, 0x00, 0x9e, 0xff, 0x1f, 0x00, 0x9e, 0xff, 0x1f, 0x00, 0x9e, 0xff, 0x0f, 0x00, 0x9e, 0xff, 0x0f, 0x0e, 0x8f, 0xff, 0x07, 0xfe, 0x8f, 0xff, 0x07, 0xfe, 0x83, 0xff, 0x03, 0xfe, 0x81, 0xff, 0x01, 0xf8, 0x80, 0x7f, 0x00, 0x00, 0x00, 0x40, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/stop.xpm0000644012664100000130000000243311213220012021313 0ustar arb_buildcoders/* XPM */ static char * stop_xpm[] = { "32 32 7 1", " c None", ". c #8F150F", "+ c #9C1710", "@ c #C01C14", "# c #DF2117", "$ c #E52218", "% c #FFFFFF", " ", " ", " ", " +@##@+ ", " .$$$$$$$$$$. ", " #$$$$$$$$$$$$# ", " $$$$$$$$$$$$$$$$ ", " $$$$$$$$$$$$$$$$$$ ", " #$$$$$$$$$$$$$$$$$$# ", " .$$$$$$$$$$$$$$$$$$$$. ", " $$$$$$$$$$$$$$$$$$$$$$ ", " $$$$$$$$$$$$$$$$$$$$$$ ", " +$$$$$$$$$$$$$$$$$$$$$$+ ", " @$$$$$$$$$$$$$$$$$$$$$$@ ", " #%%%%%%%%%%%%%%%%%%%%%%# ", " #%%%%%%%%%%%%%%%%%%%%%%# ", " @$$$$$$$$$$$$$$$$$$$$$$@ ", " +$$$$$$$$$$$$$$$$$$$$$$+ ", " $$$$$$$$$$$$$$$$$$$$$$ ", " $$$$$$$$$$$$$$$$$$$$$$ ", " .$$$$$$$$$$$$$$$$$$$$. ", " #$$$$$$$$$$$$$$$$$$# ", " $$$$$$$$$$$$$$$$$$ ", " $$$$$$$$$$$$$$$$ ", " #$$$$$$$$$$$$# ", " .$$$$$$$$$$. ", " +@##@+ ", " ", " ", " ", " ", " "}; ./arbsrc_9167/lib/pixmaps/edit/unused/stretch.bitmap0000644012664100000130000000103611213220012022450 0ustar arb_buildcoders#define stretch_width 24 #define stretch_height 24 static unsigned char stretch_bits[] = { 0x00, 0x00, 0x00, 0xc0, 0x01, 0x1f, 0x20, 0x92, 0x20, 0x20, 0x7e, 0x40, 0x30, 0x52, 0x40, 0xe8, 0x41, 0x40, 0x14, 0x40, 0x40, 0x0b, 0x60, 0x40, 0xa6, 0x90, 0x20, 0xc2, 0x88, 0x1f, 0xe2, 0x44, 0x00, 0x01, 0x22, 0x00, 0x00, 0x11, 0x00, 0x80, 0x08, 0x00, 0x40, 0x04, 0x00, 0x20, 0x02, 0x00, 0x10, 0x01, 0x00, 0x88, 0x00, 0x00, 0x44, 0x00, 0x00, 0x27, 0x00, 0x00, 0x18, 0x00, 0x00, 0x10, 0x00, 0x00, 0x10, 0x00, 0x00, 0x10, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit/unused/unfolded.bitmap0000644012664100000130000000043711213220012022600 0ustar arb_buildcoders#define unfolded_width 16 #define unfolded_height 16 static char unfolded_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf8, 0x1f, 0xf8, 0x1f, 0xf0, 0x0f, 0xf0, 0x0f, 0xe0, 0x07, 0xe0, 0x07, 0xc0, 0x03, 0xc0, 0x03, 0x80, 0x01, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/edit.xpm0000644012664100000130000000241411213220012017022 0ustar arb_buildcoders/* XPM */ static char * edit_xpm[] = { "44 24 6 1", " c None", ". c #000000", "+ c #FFFFFF", "@ c #4A4A4A", "# c #808080", "$ c #C0C0C0", " ", " ........................................ ", " .++++++@+++++++++++++++++++++++++++++++. ", " .#@@@@#@#@#@@#@#@@##@##@@##@@#@@##@@@@#. ", " .++++++@+++++++++++++++++++++++++++++++. ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " .++++++@+++++++++++++++++++++++++++++++. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+@$$$$$@$@$$$$$$$@$@$$$$$@$@$$+. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+@$$$$$@$@$$$$$$$@$@$$$$$@$@$$+. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+@$$$$$@$@$$$$$$$@$@$$$$$@$@$$+. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+@$$$$$@$@$$$$$$$@$@$$$$$@$@$$+. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+@$$$$$@$@$$$$$$$@$@$$$$$@$@$$+. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+@$$$$$@$@$$$$$$$@$@$$$$$@$@$$+. ", " .+@@@@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+@+. ", " .++++++@+++++++++++++++++++++++++++++++. ", " ........................................ ", " ", " "}; ./arbsrc_9167/lib/pixmaps/edit/zoom.bitmap0000644012664100000130000000035711213220012020462 0ustar arb_buildcoders#define zoom_width 13 #define zoom_height 13 static char zoom_bits[] = { 0x00, 0x00, 0x78, 0x00, 0x84, 0x00, 0x12, 0x01, 0x02, 0x01, 0x02, 0x01, 0x02, 0x01, 0x84, 0x01, 0xf8, 0x01, 0x00, 0x03, 0x00, 0x06, 0x00, 0x0c, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/equal.xpm0000644012664100000130000000134111213220012017202 0ustar arb_buildcoders/* XPM */ static char *equal[]={ "24 16 16 1", ". c #008000", "f c #0a850a", "h c #118811", "i c #158a15", "g c #1c8e1c", "k c #239123", "l c #2a952a", "# c #359a35", "j c #399c39", "n c #46a346", "b c #59ab59", "c c #5faf5f", "m c #70b870", "a c #8ec68e", "e c #9fcf9f", "d c #ffffff", "........................", "........................", "........................", "........................", ".....#aaaaaaaaaaab......", ".....cddddddddddde......", ".....cddddddddddde......", ".....fgggggggggggh......", "........................", ".....ijjjjjjjjjjjk......", ".....cddddddddddde......", ".....cddddddddddde......", ".....lmmmmmmmmmmmn......", "........................", "........................", "........................"}; ./arbsrc_9167/lib/pixmaps/gen_book.bitmap0000644012664100000130000000041111213220012020323 0ustar arb_buildcoders#define gen_book_width 24 #define gen_book_height 9 static unsigned char gen_book_bits[] = { 0xf8, 0xfb, 0xfb, 0x18, 0x1b, 0x1b, 0x18, 0x1b, 0x1b, 0xf8, 0xfb, 0xfb, 0x00, 0x00, 0x00, 0xb8, 0x7f, 0xff, 0xb0, 0x61, 0xc3, 0xb0, 0x61, 0xc3, 0xb8, 0x7f, 0xff}; ./arbsrc_9167/lib/pixmaps/gen_map.xpm0000644012664100000130000000757311213220012017516 0ustar arb_buildcoders/* XPM */ static char * gen_map_xpm[] = { "44 23 112 2", " c None", ". c #FFFFFF", "+ c #C1C1C1", "@ c #A1A1A1", "# c #D5D5D5", "$ c #C7C7C7", "% c #C9C9C9", "& c #A2A2A2", "* c #F5F5F5", "= c #DFDFDF", "- c #CBCBCB", "; c #EEEEEE", "> c #B2B2B2", ", c #B3B3B3", "' c #D2D2D2", ") c #E6E6E6", "! c #B8B8B8", "~ c #D6D6D6", "{ c #B7B7B7", "] c #A7A7A7", "^ c #AEAEAE", "/ c #E2E2E2", "( c #DDDDDD", "_ c #A9A9A9", ": c #BEBEBE", "< c #DCDCDC", "[ c #E1E1E1", "} c #BDBDBD", "| c #A6A6A6", "1 c #C6C6C6", "2 c #999999", "3 c #989898", "4 c #B9B9B9", "5 c #B0B0B0", "6 c #C4C4C4", "7 c #DADADA", "8 c #CACACA", "9 c #ABABAB", "0 c #A8A8A8", "a c #8E8E8E", "b c #9B9B9B", "c c #C5C5C5", "d c #CCCCCC", "e c #CFCFCF", "f c #CDCDCD", "g c #C8C8C8", "h c #D1D1D1", "i c #D9D9D9", "j c #A3A3A3", "k c #929292", "l c #919191", "m c #787878", "n c #9C9C9C", "o c #898989", "p c #9E9E9E", "q c #BABABA", "r c #C2C2C2", "s c #F1F1F1", "t c #949494", "u c #7D7D7D", "v c #757575", "w c #696969", "x c #9A9A9A", "y c #A0A0A0", "z c #7E7E7E", "A c #888888", "B c #848484", "C c #767676", "D c #B6B6B6", "E c #8F8F8F", "F c #6A6A6A", "G c #494949", "H c #464646", "I c #666666", "J c #909090", "K c #868686", "L c #646464", "M c #545454", "N c #6F6F6F", "O c #808080", "P c #8B8B8B", "Q c #AAAAAA", "R c #CECECE", "S c #727272", "T c #8C8C8C", "U c #979797", "V c #BCBCBC", "W c #AFAFAF", "X c #7A7A7A", "Y c #838383", "Z c #777777", "` c #969696", " . c #9F9F9F", ".. c #BFBFBF", "+. c #B4B4B4", "@. c #828282", "#. c #7F7F7F", "$. c #818181", "%. c #9D9D9D", "&. c #BBBBBB", "*. c #959595", "=. c #8A8A8A", "-. c #737373", ";. c #858585", ">. c #ACACAC", ",. c #C3C3C3", "'. c #676767", "). c #B5B5B5", "!. c #939393", "~. c #E4E4E4", "{. c #5D5D5D", "]. c #EBEBEB", " ", " . . . . . . . + . . . @ # . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ", " . . . . . . . + $ . % & * . . . . . = . . . . . . . . . . . . . . . . . . . . . . . ", " - . . . . . ; + + . > , . . . . ' ) $ . . . . . . . . . . . . . . . . . . . . . . . ", " ! ~ . . . . + { + . ] ^ . / . . + + . . . / . . . . . . . . . . * ( . . . . . . . . ", " _ : . < . [ } | } 1 2 3 . + . 4 5 6 . % % / . . . . . . . . . 7 8 . . . . . . . . . ", " 9 0 - + . ! a | | 0 3 b c d e ^ ^ + f g h . . . . . . . . . e i . . . . . . . . . . ", " j 0 k ] - l m | | n o p b 5 | | q 1 r 6 6 . . . s . . . s % ) . . . . . . . . . . . ", " 3 t u v a w w x y z A B C D E ^ : @ , 4 c f . f < . . i - . . . . . . . . . . . . . ", " n z B F G H I J K L A M N O P Q @ p Q 3 ! . d ( . ' R 7 . . . . . . . . . . . . . . ", " l S T o P U @ V W j y u C X Y Z A ` a .. ..7 , ^ 6 d ~ . . . . . . . . . . . . . . ", " +.- . . . . . . . . . . . h @ @.O #.$.1 0 0 %.y } : 6 . . . . . . . . . . . . . . . ", " . . . . . . . . . . . . . . . . &.o ..K *.2 j , 9 } 7 ~ . . . . . . . . . . . . . . ", " . . . . . . . . . . . . . . . . . . 4 Z =.Q | 2 %.W D / ~ . s . . . . . . . . . . . ", " . . . . . . . . . . . . . . . . . . . < | x -.;.J 3 >.: ,.% R . . . . . . . . . . . ", " . . . . . . . . . . . . . . . . . . . . ; Z '.v K Q ).y & : < . . . . . . . . # % % ", " . . . . . . . . . . . . . . . . . . . . . = Y T .J *.t j { g 8 / . . e % % % ( . . ", " . . . . . . . . . . . . . . . . . . . . . . % o P B =.0 4 4 5 @ V % % ) . . . . . . ", " . . . . . . . . . . . . . . . . . . . . . . . x w u x 2 0 4 - ; . . . . . . . . . . ", " . . . . . . . . . . . . . . . . . . . . . . . = !.U !., V f % ~./ d % % % % * . . . ", " . . . . . . . . . . . . . . . . . . . . . . . . ;.{.w #.a y Q @ | ; . . . . . . . . ", " . . . . . . . . . . . . . . . . . . . . . . . . >.X @.X k g # ].. . . . . . . . . . ", " "}; ./arbsrc_9167/lib/pixmaps/gen_radial.bitmap0000644012664100000130000000041711213220012020633 0ustar arb_buildcoders#define gen_radial_width 24 #define gen_radial_height 9 static unsigned char gen_radial_bits[] = { 0x80, 0x99, 0x01, 0x80, 0xdb, 0x01, 0x00, 0xc3, 0x00, 0x60, 0x00, 0x00, 0xe0, 0x81, 0x07, 0x00, 0x00, 0x06, 0x00, 0xc3, 0x00, 0x80, 0xdb, 0x01, 0x80, 0x99, 0x01}; ./arbsrc_9167/lib/pixmaps/gen_vertical.bitmap0000644012664100000130000000042511213220012021207 0ustar arb_buildcoders#define gen_vertical_width 24 #define gen_vertical_height 9 static unsigned char gen_vertical_bits[] = { 0xf8, 0xff, 0x07, 0x18, 0x00, 0x00, 0xf8, 0x07, 0x00, 0xf8, 0x00, 0x00, 0xf8, 0x7f, 0x00, 0x78, 0x00, 0x00, 0x18, 0x00, 0x00, 0xf8, 0x01, 0x00, 0xf8, 0x3f, 0x00}; ./arbsrc_9167/lib/pixmaps/group.bitmap0000644012664100000130000000101711213220012017677 0ustar arb_buildcoders#define group_width 24 #define group_height 24 static char group_bits[] = { 0x00, 0x00, 0xe0, 0x00, 0x00, 0xf8, 0x00, 0x00, 0x7e, 0x00, 0x80, 0x3f, 0x00, 0xe0, 0x1f, 0x00, 0xf8, 0x0e, 0x00, 0x3e, 0x07, 0x80, 0x8f, 0x03, 0xe0, 0xc3, 0x01, 0xff, 0xe0, 0x00, 0x7f, 0x70, 0x00, 0xff, 0x39, 0x00, 0xe0, 0x1f, 0x00, 0x80, 0x0f, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe6, 0x98, 0x74, 0x29, 0xa5, 0x94, 0x21, 0xa5, 0x94, 0xed, 0xa4, 0x74, 0xa9, 0xa4, 0x14, 0x29, 0xa5, 0x14, 0x26, 0x19, 0x13}; ./arbsrc_9167/lib/pixmaps/helixText.xpm0000644012664100000130000000505411213220012020056 0ustar arb_buildcoders/* XPM */ static const unsigned char * helixtext_xpm[] = { "120 19 12 1", " c None", "! c black", "# c #545454", "$ c #00FF00", "% c #FF0000", "& c #808080", "' c white", "( c #BFFFFF", ") c #FFFFBF", "* c #BF9C9C", "+ c #DFFFFF", ", c #FFFFDF", " ###################################################################################################################### ", "###$$######################################################$$$$$########################################################", "###$$#############################$$$$$$$################$$$##%$$$######################################################", "###%$$###########################$$#%###$$$#############$$%###%#$$$#####################################################", "###%#$$##########################$##%###%#$$$##########$$#%###%###%#####################################################", "###%##$$##########$$$$$#########$%##%###%###$$########$$##%###%###%#####################################################", "###%##%$$#######$$$%##$$$######$$%##%###%###%$$######$$%##%###%###%###########&'###&'#&''''#&'####&'''#&'##&'###########", "###%##%#$$####$$$##%##%#$$$####$#%##%###%###%#$$####$$#%##%###%###%###########&'###&'#&'####&'#####&'##&(##&)###########", "###%##%##$###$$#%##%##%##%$$##$$#%##%###%###%##$$##$$##%##%###%###%###########&'###&'#&'####&'#####&'###&'*+############", "###%##%##$$#$$##%##%##%##%#$$$$##%##%###%###%###$$$$###%##%###%###%###########&''''''#&''',#&'#####&'####&'#############", "###%##%###$$$###%##%##%##%##$$###%##%###%###%####$$$###%##%###%###%###########&'###&'#&'####&'#####&'####&'#############", "###%##%###$$####%##%##%##%##$$$##%##%###%###%###$$#$$##%##%###%###%###########&'###&'#&'####&'#####&'###&'*+############", "###%##%##$$$$###%##%##%##%#$$#$$#%##%###%###%##$$###$$#%##%###%###%###########&'###&'#&'####&'#####&'##&+##&,###########", "###%##%#$$##$$##%##%##%##%$$###$$%##%###%###%#$$######$$##%###%###%###########&'###&'#&''''#&''''#&'''#&'##&'###########", "###%##%$$####$$$%##%##%##$$#####$$##%###%###%$$#########$$$$##%#$$$#####################################################", "###%#$$$######$$$##%##%#$$#######$$$$###%##$$$#############$$$$$$$######################################################", "###%#$#########$$$#%##$$############$$$$$$$$############################################################################", "###$$$###########$$$$$$#################################################################################################", " ##$$################################################################################################################## "};./arbsrc_9167/lib/pixmaps/helix.xpm0000644012664100000130000000335311213220012017211 0ustar arb_buildcoders/* XPM */ static char * helix_xpm[] = { "64 18 33 1", " c None", ". c #00128C", "+ c #6F0100", "@ c #8B0300", "# c #5F0483", "$ c #9103AD", "% c #007200", "& c #B51600", "* c #2253AD", "= c #007384", "- c #009600", "; c #E3360E", "> c #CC3A3F", ", c #239BA6", "' c #C745D3", ") c #32C400", "! c #F45950", "~ c #688BCA", "{ c #F1730E", "] c #F2847B", "^ c #6FC8D0", "/ c #DC94DD", "( c #7CF701", "_ c #FABB00", ": c #ACBFD0", "< c #FCB181", "[ c #CBBFE2", "} c #FEE300", "| c #B9FC4B", "1 c #F6D6D1", "2 c #E5F874", "3 c #DAECF4", "4 c #F4FBBC", "**333333333333333333333333333333333333333333333333333333*****333", "**33333333333333333333333333333*******3333333333333333***33;***3", ";**333333333333333333333333333**3;333***3333333333333**;333;3***", ";3**33333333333333333333333333*33;333;3***3333333333**3;333;333;", ";33**3333333333*****333333333*;33;333;333**33333333**33;333;333;", ";33;**3333333***;33***333333**;33;333;333;**333333**;33;333;333;", ";33;3**3333***33;33;3***3333*3;33;333;333;3**3333**3;33;333;333;", ";33;33*333**3;33;33;33;**33**3;33;333;333;33**33**33;33;333;333;", ";33;33**3**33;33;33;33;3****33;33;333;333;333****333;33;333;333;", ";33;333***333;33;33;33;33**333;33;333;333;3333***333;33;333;333;", ";33;333**3333;33;33;33;33***33;33;333;333;333**3**33;33;333;333;", ";33;33****333;33;33;33;3**3**3;33;333;333;33**333**3;33;333;333;", ";33;3**33**33;33;33;33;**333**;33;333;333;3**333333**33;333;333;", ";33;**3333***;33;33;33**33333**33;333;333;**333333333****33;3***", ";3***333333***33;33;3**3333333****333;33***3333333333333*******3", ";3*333333333***3;33**333333333333********33333333333333333333333", "***33333333333******33333333333333333333333333333333333333333333", "**33333333333333333333333333333333333333333333333333333333333333"}; ./arbsrc_9167/lib/pixmaps/help_text.xpm0000644012664100000130000000274111213220012020074 0ustar arb_buildcoders/* XPM */ static const unsigned char * help_text_xpm[] = { "70 18 7 1", " c None", "! c black", "# c #008000", "$ c white", "% c #DADADA", "& c #F2F2F2", "' c #DEDEDE", " ", " ", " ############### ", " ################# ", " ######$$$$####### ", " #####$%#$$$###### ", " #####$%##&$###### !! !! !!!!! !! !!!!! ", " #####$%##&$###### !! !! !! !! !! !! ", " ########$$$###### !! !! !! !! !! !! ", " ########$$####### !!!!!!! !!!!! !! !! !! ", " ########$$####### !! !! !! !! !!!!! ", " ########$######## !! !! !! !! !! ", " ################# !! !! !! !! !! ", " #######'$'####### !! !! !!!!! !!!!! !! ", " #######'$'####### ", " ################# ", " ############### ", " "}; ./arbsrc_9167/lib/pixmaps/helpText.xpm0000644012664100000130000000300111213220012017663 0ustar arb_buildcoders/* XPM */ static char * helpText_xpm[] = { "70 18 10 1", " c None", ". c #545454", "+ c #008000", "@ c #FFFFFF", "# c #DADADA", "$ c #808080", "% c #F2F2F2", "& c #DFFFFF", "* c #FFFFDF", "= c #DEDEDE", " .................................................................... ", "...+++++++++++++++++..................................................", "..+++++++++++++++++++.................................................", "..+++++++++++++++++++.................................................", "..+++++++++++++++++++.................................................", "..+++++++@@@@++++++++.................................................", "..++++++@#+@@@+++++++.........$@...$@.$@@@@.$@....$@@@@...............", "..++++++@#++%@+++++++.........$@...$@.$@....$@....$@..$@..............", "..++++++@#++%@+++++++.........$@...$@.$@....$@....$@..$&..............", "..+++++++++@@@+++++++.........$@@@@@@.$@@@*.$@....$@..$@..............", "..+++++++++@@++++++++.........$@...$@.$@....$@....$@@@@...............", "..+++++++++@@++++++++.........$@...$@.$@....$@....$@..................", "..+++++++++@+++++++++.........$@...$@.$@....$@....$@..................", "..+++++++++++++++++++.........$@...$@.$@@@@.$@@@@.$@..................", "..++++++++=@=++++++++.................................................", "..++++++++=@=++++++++.................................................", "..+++++++++++++++++++.................................................", "...+++++++++++++++++.................................................."}; ./arbsrc_9167/lib/pixmaps/help.xpm0000644012664100000130000000103011213220012017016 0ustar arb_buildcoders/* XPM */ static char * help_xpm[] = { "18 18 6 1", " c None", ". c #808080", "+ c #008000", "@ c #FFFFFF", "# c #DADADA", "$ c #DEDEDE", " .++++++++++++++. ", ".++++++++++++++++.", "++++++++++++++++++", "++++++++++++++++++", "+++++++@@@@+++++++", "++++++@#+##@++++++", "++++++@#++#@++++++", "++++++@#++#@++++++", "++++++++++##++++++", "+++++++++#@+++++++", "+++++++++@#+++++++", "+++++++++@++++++++", "++++++++++++++++++", "++++++++$@++++++++", "++++++++$@++++++++", "++++++++++++++++++", ".++++++++++++++++.", " .++++++++++++++. "}; ./arbsrc_9167/lib/pixmaps/icons/ARB_DIST.xpm0000644012664100000130000000236211213220012020441 0ustar arb_buildcoders/* XPM */ static char * ARB_DIST_xpm[] = { "32 32 4 1", " c None", ". c #03B29B", "+ c #A3F0E6", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/ARB_EDIT4.xpm0000644012664100000130000000236311213220012020510 0ustar arb_buildcoders/* XPM */ static char * ARB_EDIT4_xpm[] = { "32 32 4 1", " c None", ". c #F09403", "+ c #FAD08D", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/ARB_EDITOR.bitmap0000644012664100000130000000466611440743000021356 0ustar arb_buildcoders#define ARB_EDIT_width 64 #define ARB_EDIT_height 48 static char ARB_EDIT_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0x1f, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0x1f, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0x3f, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0x3f, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0x0f, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0x0f, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x03, 0x00, 0x00, 0x00, 0x00, 0xf0, 0xe1, 0x33, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xf8, 0xf3, 0x33, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x18, 0x33, 0x30, 0x03, 0x00, 0x00, 0x00, 0x00, 0xd8, 0x33, 0x30, 0x03, 0x00, 0x00, 0x00, 0x00, 0x18, 0x30, 0x30, 0x03, 0x00, 0x00, 0x00, 0x00, 0xf8, 0xf3, 0x33, 0x03, 0x00, 0x00, 0x00, 0x00, 0xf0, 0xe3, 0x33, 0x03, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/icons/ARB_NT.xpm0000644012664100000130000000236011213220012020215 0ustar arb_buildcoders/* XPM */ static char * ARB_NT_xpm[] = { "32 32 4 1", " c None", ". c #0303B2", "+ c #9898E8", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/ARB_PARS.xpm0000644012664100000130000000236211213220012020443 0ustar arb_buildcoders/* XPM */ static char * ARB_PARS_xpm[] = { "32 32 4 1", " c None", ". c #026F4A", "+ c #85C8B1", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/ARB_PHYLO.xpm0000644012664100000130000000236211213220012020571 0ustar arb_buildcoders/* XPM */ static char * ARB_DIST_xpm[] = { "32 32 4 1", " c None", ". c #B003B2", "+ c #DF8BE1", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/ARB_STATUS.xpm0000644012664100000130000000236411213220012020723 0ustar arb_buildcoders/* XPM */ static char * ARB_STATUS_xpm[] = { "32 32 4 1", " c None", ". c #F00303", "+ c #FA908D", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/ARB_WETC.xpm0000644012664100000130000000236211213220012020440 0ustar arb_buildcoders/* XPM */ static char * ARB_WETC_xpm[] = { "32 32 4 1", " c None", ". c #000000", "+ c #979797", "@ c #FFFFFF", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@...+@@@@", "@@@@@@@@@@@+.@@@@++...@@.....+@@", "@@@@@@@@@@+..@@@+.....@@......+@", "@@@@@@@@@+...@@+......@@.......+", "@@@@@@@@+....@@+......@@........", "@@@@@@@+.....@@....++@@@@@++....", "@@@@@@+......@@...+@@@@@@@@@+...", "@@@@@+.......@@...+@@@@@@@@@+...", "@@@@+....+...@@...@@@@@@@@@@+...", "@@@+....+@...@@...@@@@@@@@++....", "@@+....+@@...@@...@@@...........", "@+....+@@@...@@...@@@..........+", "+....+@@@@...@@...@@@.........+@", "....+@@@@@...@@...@@@........+@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@", "@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@"}; ./arbsrc_9167/lib/pixmaps/icons/unused/ARB_EDIT.bitmap0000644012664100000130000000466611213220012022407 0ustar arb_buildcoders#define ARB_EDIT_width 64 #define ARB_EDIT_height 48 static char ARB_EDIT_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0x1f, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0x1f, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0x3f, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0x3f, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0x0f, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0x0f, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x81, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0x36, 0x00, 0x23, 0xc4, 0xff, 0x80, 0x6d, 0xdb, 0xb6, 0x6d, 0x23, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x03, 0x00, 0x00, 0x00, 0x00, 0xf0, 0xe1, 0x33, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xf8, 0xf3, 0x33, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x18, 0x33, 0x30, 0x03, 0x00, 0x00, 0x00, 0x00, 0xd8, 0x33, 0x30, 0x03, 0x00, 0x00, 0x00, 0x00, 0x18, 0x30, 0x30, 0x03, 0x00, 0x00, 0x00, 0x00, 0xf8, 0xf3, 0x33, 0x03, 0x00, 0x00, 0x00, 0x00, 0xf0, 0xe3, 0x33, 0x03, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/icons/unused/ARB_NT.bitmap0000644012664100000130000000464711213220012022202 0ustar arb_buildcoders#define arb_width 64 #define arb_height 48 static char arb_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xfd, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xbf, 0x05, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x02, 0x70, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x03, 0x7c, 0xfc, 0x00, 0xa0, 0x05, 0x00, 0x80, 0x03, 0x7e, 0xfc, 0x07, 0xa0, 0x05, 0x00, 0xc0, 0x03, 0x7f, 0xfc, 0x0f, 0xa0, 0x05, 0x00, 0xe0, 0x83, 0x7f, 0xfc, 0x1f, 0xa0, 0x05, 0x00, 0xf0, 0xc3, 0x7f, 0xfc, 0x3f, 0xa0, 0x05, 0x00, 0xf8, 0xc3, 0x7f, 0xfc, 0x3f, 0xa0, 0x05, 0x00, 0xfc, 0xe3, 0x1f, 0x00, 0x7f, 0xa0, 0x05, 0x00, 0xfe, 0xe3, 0x0f, 0x00, 0x7c, 0xa0, 0x05, 0x00, 0xff, 0xf3, 0x07, 0x00, 0x7c, 0xa0, 0x05, 0x80, 0xff, 0xf3, 0x03, 0x00, 0x7c, 0xa0, 0x05, 0xc0, 0xdf, 0xf3, 0x01, 0x00, 0x7c, 0xa0, 0x05, 0xe0, 0xcf, 0xf3, 0x01, 0x00, 0x7e, 0xa0, 0x05, 0xf0, 0xc7, 0xfb, 0x01, 0x80, 0x3f, 0xa0, 0x05, 0xf8, 0xc3, 0xfb, 0x01, 0xff, 0x3f, 0xa0, 0x05, 0xfc, 0xc1, 0xfb, 0x01, 0xff, 0x1f, 0xa0, 0x05, 0xfe, 0xc0, 0xfb, 0x01, 0xff, 0x0f, 0xa0, 0x05, 0x7f, 0xc0, 0xfb, 0x01, 0xff, 0x07, 0xa0, 0x05, 0x3f, 0xc0, 0xfb, 0x01, 0xff, 0x03, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0xfd, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xbf, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x01, 0x00, 0x04, 0x00, 0x08, 0x00, 0x00, 0x00, 0x01, 0x00, 0x04, 0x00, 0x08, 0x00, 0x00, 0x04, 0x01, 0x10, 0x04, 0x20, 0x08, 0x00, 0x00, 0x66, 0x07, 0x98, 0x1d, 0x30, 0x3b, 0x00, 0x00, 0x15, 0x08, 0x54, 0x20, 0xa8, 0x40, 0x00, 0x80, 0x14, 0x08, 0x52, 0x20, 0xa4, 0x40, 0x00, 0x40, 0x14, 0x07, 0x51, 0x1c, 0xa2, 0x38, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/icons/unused/ARB_PARSIMONY.bitmap0000644012664100000130000000470511213220012023235 0ustar arb_buildcoders#define ARB_PARSIMONY_width 64 #define ARB_PARSIMONY_height 48 static char ARB_PARSIMONY_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfe, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x7f, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0xfe, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x7f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x1f, 0x3e, 0xce, 0x33, 0x7f, 0x78, 0x7c, 0xcc, 0x3f, 0x3f, 0xef, 0x33, 0xff, 0xfc, 0xfc, 0xcc, 0x30, 0xb3, 0xc3, 0x30, 0xdb, 0xcc, 0xcc, 0xcc, 0x30, 0xb3, 0x81, 0x31, 0xdb, 0xcc, 0xcc, 0xcc, 0x3f, 0xbf, 0xe1, 0x33, 0xc3, 0xfc, 0xcc, 0xcc, 0x1f, 0xbe, 0xe1, 0x31, 0xc3, 0x78, 0xcc, 0x78, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18}; ./arbsrc_9167/lib/pixmaps/icons/unused/default.bitmap0000644012664100000130000000466311213220012022617 0ustar arb_buildcoders#define default_width 64 #define default_height 48 static char default_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x02, 0x70, 0x3c, 0x00, 0x20, 0x04, 0x00, 0x00, 0x03, 0x7c, 0xfc, 0x00, 0x20, 0x04, 0x00, 0x80, 0x03, 0x7e, 0xfc, 0x07, 0x20, 0x04, 0x00, 0xc0, 0x03, 0x7f, 0xfc, 0x0f, 0x20, 0x04, 0x00, 0xe0, 0x83, 0x7f, 0xfc, 0x1f, 0x20, 0x04, 0x00, 0xf0, 0xc3, 0x7f, 0xfc, 0x3f, 0x20, 0x04, 0x00, 0xf8, 0xc3, 0x7f, 0xfc, 0x3f, 0x20, 0x04, 0x00, 0xfc, 0xe3, 0x1f, 0x00, 0x7f, 0x20, 0x04, 0x00, 0xfe, 0xe3, 0x0f, 0x00, 0x7c, 0x20, 0x04, 0x00, 0xff, 0xf3, 0x07, 0x00, 0x7c, 0x20, 0x04, 0x80, 0xff, 0xf3, 0x03, 0x00, 0x7c, 0x20, 0x04, 0xc0, 0xdf, 0xf3, 0x01, 0x00, 0x7c, 0x20, 0x04, 0xe0, 0xcf, 0xf3, 0x01, 0x00, 0x7e, 0x20, 0x04, 0xf0, 0xc7, 0xfb, 0x01, 0x80, 0x3f, 0x20, 0x04, 0xf8, 0xc3, 0xfb, 0x01, 0xff, 0x3f, 0x20, 0x04, 0xfc, 0xc1, 0xfb, 0x01, 0xff, 0x1f, 0x20, 0x04, 0xfe, 0xc0, 0xfb, 0x01, 0xff, 0x0f, 0x20, 0x04, 0x7f, 0xc0, 0xfb, 0x01, 0xff, 0x07, 0x20, 0x04, 0x3f, 0xc0, 0xfb, 0x01, 0xff, 0x03, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18, 0x70, 0xa2, 0xa2, 0x63, 0x22, 0x00, 0x00, 0x84, 0x94, 0xa2, 0xa6, 0x94, 0x22, 0x00, 0x00, 0x84, 0x94, 0xa2, 0xaa, 0x94, 0x22, 0x00, 0x00, 0x98, 0x74, 0xa2, 0xaa, 0x94, 0x22, 0x00, 0x00, 0xa0, 0x94, 0xa2, 0xaa, 0x94, 0x22, 0x00, 0x00, 0xa0, 0x94, 0xaa, 0xb2, 0x94, 0x2a, 0x00, 0x00, 0x1c, 0x73, 0x94, 0xa2, 0x63, 0x14, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/icons/unused/message.bitmap0000644012664100000130000000043411213220012022607 0ustar arb_buildcoders#define message_width 16 #define message_height 16 static char message_bits[] = { 0xff, 0xff, 0x01, 0x80, 0xff, 0xff, 0x01, 0x80, 0xdd, 0x9d, 0x45, 0x95, 0xcd, 0x9d, 0xc5, 0x8c, 0x5d, 0x95, 0x01, 0x80, 0x01, 0x80, 0x01, 0x80, 0x01, 0x80, 0x01, 0x80, 0x01, 0xc0, 0xff, 0xff}; ./arbsrc_9167/lib/pixmaps/icons/unused/NEIGHBOR_JOINING.bitmap0000644012664100000130000000471611213220012023544 0ustar arb_buildcoders#define NEIGHBOR_JOINING_width 64 #define NEIGHBOR_JOINING_height 48 static char NEIGHBOR_JOINING_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0xa8, 0x2a, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0xa8, 0x2a, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xe4, 0x7f, 0x00, 0xab, 0x0a, 0x00, 0xd8, 0x21, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x0e, 0x20, 0xe4, 0x7f, 0x00, 0xab, 0x02, 0x00, 0xda, 0x21, 0x04, 0x00, 0x08, 0x00, 0x00, 0x01, 0x02, 0x20, 0xe4, 0x7f, 0x18, 0xab, 0x00, 0xc3, 0xdb, 0x21, 0x04, 0x00, 0x3e, 0x00, 0xc0, 0x47, 0x0a, 0x20, 0x64, 0x7e, 0x3e, 0x2b, 0xc0, 0x47, 0xde, 0x21, 0x04, 0x00, 0x18, 0x00, 0x00, 0x43, 0x08, 0x20, 0xe4, 0x7d, 0x08, 0x0b, 0x00, 0x41, 0xd8, 0x21, 0x04, 0x00, 0x00, 0x00, 0x00, 0x40, 0x00, 0x20, 0xe4, 0x73, 0x00, 0x03, 0x00, 0xc0, 0xc7, 0x21, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xfc, 0xff, 0xff, 0x7f, 0xfb, 0xff, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0x00, 0x00, 0xe0, 0xe1, 0x31, 0x3e, 0x0f, 0x8f, 0x19, 0x0e, 0xe0, 0xf3, 0x33, 0x3f, 0x9f, 0x9f, 0x19, 0x0f, 0x60, 0x33, 0x33, 0x33, 0x98, 0x99, 0x99, 0x03, 0x60, 0x33, 0x30, 0x33, 0x98, 0x99, 0x99, 0x01, 0x60, 0xf3, 0x33, 0x3f, 0x9f, 0x9f, 0x9f, 0x01, 0x60, 0xe3, 0x33, 0x3e, 0x0f, 0x0f, 0x8f, 0x01, 0x00, 0x00, 0x00, 0x30, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x1e, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/icons/unused/SAVE_ARB_DB.bitmap0000644012664100000130000000470211213220012022754 0ustar arb_buildcoders#define SAVE_CHANGES_width 64 #define SAVE_CHANGES_height 48 static char SAVE_CHANGES_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0x60, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0x00, 0x60, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0x00, 0x60, 0x1f, 0xe3, 0xa6, 0x21, 0x04, 0x00, 0x00, 0x60, 0x3f, 0xf3, 0xb6, 0x21, 0x04, 0x00, 0x00, 0x60, 0x33, 0x33, 0x9e, 0x21, 0x04, 0x00, 0x30, 0x60, 0x33, 0x63, 0x9e, 0x21, 0x04, 0x00, 0x70, 0x60, 0x3f, 0x7b, 0xb6, 0x21, 0x04, 0x00, 0xf0, 0x60, 0x1f, 0x3b, 0xb6, 0x21, 0xc4, 0xff, 0xff, 0x61, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x63, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x67, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x67, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x63, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x61, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0xf0, 0x60, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0x70, 0x60, 0xf8, 0xff, 0x87, 0x21, 0x04, 0x00, 0x30, 0x60, 0xf8, 0xff, 0x87, 0x21, 0x04, 0x00, 0x00, 0x60, 0x18, 0x00, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/icons/unused/SAVE_CHANGES_TO.bitmap0000644012664100000130000000470211213220012023455 0ustar arb_buildcoders#define SAVE_CHANGES_width 64 #define SAVE_CHANGES_height 48 static char SAVE_CHANGES_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0x60, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0x00, 0x60, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0x00, 0x60, 0x1f, 0xe3, 0xa6, 0x21, 0x04, 0x00, 0x00, 0x60, 0x3f, 0xf3, 0xb6, 0x21, 0x04, 0x00, 0x00, 0x60, 0x33, 0x33, 0x9e, 0x21, 0x04, 0x00, 0x30, 0x60, 0x33, 0x63, 0x9e, 0x21, 0x04, 0x00, 0x70, 0x60, 0x3f, 0x7b, 0xb6, 0x21, 0x04, 0x00, 0xf0, 0x60, 0x1f, 0x3b, 0xb6, 0x21, 0xc4, 0xff, 0xff, 0x61, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x63, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x67, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x67, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x63, 0x00, 0x00, 0x80, 0x21, 0xc4, 0xff, 0xff, 0x61, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0xf0, 0x60, 0x00, 0x00, 0x80, 0x21, 0x04, 0x00, 0x70, 0x60, 0xf8, 0xff, 0x87, 0x21, 0x04, 0x00, 0x30, 0x60, 0xf8, 0xff, 0x87, 0x21, 0x04, 0x00, 0x00, 0x60, 0x18, 0x00, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0x60, 0x98, 0x03, 0x86, 0x21, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0xe0, 0xff, 0xff, 0xff, 0x21, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0xfc, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/info.bitmap0000644012664100000130000000101411213220012017473 0ustar arb_buildcoders#define info_width 24 #define info_height 24 static char info_bits[] = { 0x00, 0x3e, 0x00, 0x00, 0x7f, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x00, 0x7f, 0x00, 0x00, 0x3e, 0x00, 0x00, 0x00, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00, 0x80, 0xff, 0x00}; ./arbsrc_9167/lib/pixmaps/kernlin.bitmap0000644012664100000130000000102511213220012020204 0ustar arb_buildcoders#define kernlin_width 24 #define kernlin_height 24 static char kernlin_bits[] = { 0x00, 0x00, 0x00, 0x0c, 0x00, 0x0c, 0x1c, 0x00, 0x0e, 0x38, 0x00, 0x07, 0x70, 0x80, 0x03, 0xe0, 0xff, 0x01, 0xe0, 0xff, 0x01, 0x70, 0x80, 0x03, 0x38, 0x00, 0x07, 0xdc, 0xf3, 0x0e, 0xcc, 0xe1, 0x0c, 0x40, 0xb3, 0x00, 0x00, 0x1e, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x98, 0x61, 0x00, 0xd8, 0x60, 0x00, 0x78, 0x60, 0x00, 0x38, 0x60, 0x00, 0x78, 0x60, 0x00, 0xd8, 0xec, 0x1b, 0x98, 0xed, 0x1b, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/leftright.bitmap0000644012664100000130000000104211213220012020531 0ustar arb_buildcoders#define leftright_width 24 #define leftright_height 24 static unsigned char leftright_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0x00, 0x06, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x18, 0x00, 0x00, 0x30, 0xfe, 0xff, 0x7f, 0xfe, 0xff, 0x7f, 0x00, 0x00, 0x30, 0x00, 0x00, 0x18, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x06, 0x00, 0x00, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, }; ./arbsrc_9167/lib/pixmaps/leftright_small.bitmap0000644012664100000130000000041211213220012021721 0ustar arb_buildcoders#define leftright_small_width 12 #define leftright_small_height 12 static unsigned char leftright_small_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x01, 0x00, 0x02, 0x00, 0x04, 0xfe, 0x0f, 0x00, 0x04, 0x00, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/length.bitmap0000644012664100000130000000102211213220012020020 0ustar arb_buildcoders#define length_width 24 #define length_height 24 static char length_bits[] = { 0x00, 0x01, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0x03, 0x00, 0x80, 0xff, 0x7f, 0xc0, 0xff, 0xff, 0xe0, 0xff, 0x7f, 0xf0, 0x01, 0x00, 0xf8, 0x00, 0x00, 0x7c, 0x10, 0x10, 0x3e, 0x18, 0x30, 0x1f, 0xfc, 0x7f, 0x0f, 0xfe, 0xff, 0x07, 0xfc, 0x7f, 0x03, 0x18, 0x30, 0x01, 0x10, 0x10, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/less.bitmap0000644012664100000130000000057711213220012017523 0ustar arb_buildcoders#define less_width 42 #define less_height 8 static unsigned char less_bits[] = { 0x88, 0x08, 0x86, 0xcf, 0xe7, 0x03, 0x44, 0x04, 0x86, 0x61, 0x30, 0x00, 0x22, 0x02, 0x86, 0x61, 0x30, 0x00, 0x11, 0x01, 0x86, 0xef, 0xf3, 0x01, 0x11, 0x01, 0x86, 0xc1, 0xe7, 0x03, 0x22, 0x02, 0x86, 0x01, 0x06, 0x03, 0x44, 0x04, 0x86, 0x01, 0x06, 0x03, 0x88, 0x08, 0xbe, 0xef, 0xf3, 0x01 }; ./arbsrc_9167/lib/pixmaps/line.bitmap0000644012664100000130000000101411213220012017467 0ustar arb_buildcoders#define line_width 24 #define line_height 24 static char line_bits[] = { 0x00, 0x1f, 0x00, 0x00, 0x0e, 0x00, 0x00, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf8, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x00, 0xf8, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x04, 0x00, 0x00, 0x0e, 0x00, 0x00, 0x1f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xd1, 0xdd, 0x97, 0x91, 0x24, 0x91, 0x91, 0x24, 0x91, 0x91, 0x24, 0xf1, 0x91, 0x24, 0x91, 0x95, 0x24, 0x91, 0xce, 0x1d, 0x91}; ./arbsrc_9167/lib/pixmaps/list.bitmap0000644012664100000130000000045211213220012017520 0ustar arb_buildcoders#define list_width 28 #define list_height 9 static char list_bits[] = { 0xc0, 0x1f, 0x3c, 0x07, 0x78, 0x00, 0x00, 0x00, 0xc8, 0xff, 0xfc, 0x01, 0x08, 0x00, 0x00, 0x00, 0x0f, 0x00, 0x00, 0x00, 0x88, 0x0f, 0xfc, 0x03, 0xf8, 0x00, 0x00, 0x00, 0x80, 0x00, 0x00, 0x00, 0x80, 0x7f, 0xfc, 0x03}; ./arbsrc_9167/lib/pixmaps/listdisp.bitmap0000644012664100000130000000104211213220012020374 0ustar arb_buildcoders#define listdisp_width 24 #define listdisp_height 24 static unsigned char listdisp_bits[] = { 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f, 0x00, 0x00, 0x00, 0xee, 0xdf, 0x3f }; ./arbsrc_9167/lib/pixmaps/logo.xpm0000644012664100000130000004324711213220012017046 0ustar arb_buildcoders/* XPM */ static char * logo_xpm[] = { "210 84 4 1", " c None", ". c #A0A0A0", "+ c #535353", "@ c #020202", " .................. ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " +@@@@@@@@@@@@@@@@@ ", " . . +@@@@@@@@@@@@@@@@@ ", " .++ ..+++@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@+++... ", " +@@+ ..++@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@++.. ", " .@@@@+ .@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. ", " .@@@@@@+ ..+@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. ", " .+@@@@@@@+ .+@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " .@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " .+@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " .@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " .+@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " +@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " .@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " .+@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@++++ +++++++++++++++++++++++++@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+.. ..+@@@@@@@@@@@@@@@@@@@@@@@@@@@ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@@@@@@@@@@@+.. .+@@@@@@@@@@@@@@@@@@@@@@@@.", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@.", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@+", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@@@@@@. .@@@@@@@@@@@@@@@@@@@@+", " .+@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@@+", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@@. .@@@@@@@@@@@@@@@@@@@@+", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@@@+. .@@@@@@@@@@@@@@@@@@@@@+", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@@. .+@@@@@@@@@@@@@@@@@@@@@@.", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@. .+@@@@@@@@@@@@@@@@@@@@@@@@@.", " .+@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@@. ...++@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ ", " .+@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@@ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@@ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ ", " .+@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. ", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ .+. ", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ @@@@@@@@@@@@@@@@@@ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +@@+@@. ", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@. .@..+..@.", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ .@@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ +.+@+@+.+", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ @ @. .. @", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+ @ @ @", " .+@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @.@+.++.+", " +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@. +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. ++.@@+.++", " .@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+. @@@@@@@@@@@@@@@@@+ +@@@@@@@@@@@@@@@@@ +@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@+.. @@+..@@ ", "++++++++++++++++++++++++++++++. ++++++++++++++++++ ++++++++++++++++++ .+++++++++++++++++++++++++++++.... .+++. ", " "}; ./arbsrc_9167/lib/pixmaps/lzoom.bitmap0000644012664100000130000000101711213220012017703 0ustar arb_buildcoders#define lzoom_width 24 #define lzoom_height 24 static char lzoom_bits[] = { 0xc0, 0x00, 0x00, 0xc0, 0x00, 0x00, 0xc8, 0x0f, 0x38, 0xd0, 0x2f, 0x7c, 0xe0, 0x60, 0xc6, 0x70, 0xfe, 0xc6, 0xb8, 0xfe, 0xc6, 0x1f, 0x61, 0x7c, 0x3f, 0x20, 0x3e, 0x7f, 0x00, 0x06, 0xe0, 0x00, 0x03, 0xc0, 0x0f, 0x03, 0xc0, 0x8f, 0x01, 0xc0, 0x80, 0x01, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe1, 0x01, 0x00, 0x01, 0x19, 0x93, 0x81, 0xa4, 0xf4, 0x41, 0xa4, 0x94, 0x41, 0xa4, 0x94, 0x21, 0xa4, 0x94, 0xef, 0x19, 0x93}; ./arbsrc_9167/lib/pixmaps/mapping.xpm0000644012664100000130000000345311213220012017534 0ustar arb_buildcoders/* XPM */ static char * mapping_xpm[] = { "90 18 6 1", " c None", ". c #545454", "+ c #808080", "@ c #FFFFFF", "# c #FFFFDF", "$ c #BFBFBF", " ........................................................................................ ", "..........................................................................................", "..........................................................................................", "..........................................................................................", "..........................................................................................", "..........................................................................................", "....+@@.....@#...+@@...+@@@@..+@@@@..+@@@.+@...@..+@@@@@......+@@@.+@..+@.+@@@@..+@@@@....", "....+@@+...@@#...+@@...+@..+@.+@..+@..+@..+@@..@.+@............+@..+@@.+@.+@....+@...+@...", "....+@@@+.@++#..+@.+#..+@..+@.+@..+@..+@..+@@@.@.+@............+@..+@$@+@.+@....+@...+@...", "....+@.@@@+.+#..+@.+@..+@..+@.+@..+@..+@..+@+@@@.+@............+@..+@+@@@.+@@@@.+@...+@...", "....+@...@..+#..+#.+@..+@@@@..+@@@@...+@..+@.+$@.+@..@@@.......+@..+@.+@@.+@....+@...+@...", "....+@......+#.+@@@@@@.+@.....+@......+@..+@..@@.+@...+@.......+@..+@..+@.+@....+@...+@...", "....+@......+#.+@...+@.+@.....+@......+@..+@...@.+@...+@.......+@..+@..+@.+@....+@...+@...", "....+@......+#.+#...+@.+@.....+@.....+@@@.+@...@..+@@@@#......+@@@.+@..+@.+@.....+@@@@....", "..........................................................................................", "..........................................................................................", "..........................................................................................", ".........................................................................................."}; ./arbsrc_9167/lib/pixmaps/mark.bitmap0000644012664100000130000000101411213220012017472 0ustar arb_buildcoders#define mark_width 24 #define mark_height 24 static char mark_bits[] = { 0x00, 0x80, 0x00, 0x00, 0x40, 0x01, 0x00, 0x20, 0x03, 0x00, 0x90, 0x07, 0x00, 0xc8, 0x0f, 0x00, 0xe4, 0x0f, 0x00, 0xf2, 0x07, 0x00, 0xf9, 0x03, 0x80, 0xfc, 0x01, 0x40, 0xfe, 0x00, 0x20, 0x7f, 0x00, 0x80, 0x3f, 0x00, 0x90, 0x1f, 0x00, 0x30, 0x0f, 0x00, 0x70, 0x06, 0x00, 0xf0, 0x00, 0x00, 0xf0, 0x01, 0x00, 0x00, 0x00, 0x00, 0x44, 0xe6, 0x24, 0x7c, 0x29, 0x15, 0x44, 0x2f, 0x0d, 0x44, 0xe9, 0x0c, 0x44, 0x29, 0x15, 0x44, 0x29, 0x25}; ./arbsrc_9167/lib/pixmaps/mask.xpm0000644012664100000130000000113511213220012017027 0ustar arb_buildcoders/* XPM */ static const unsigned char * mask_xpm[] = { "19 19 7 1", " c None", "! c black", "# c #545454", "$ c #FF0000", "% c #00FF00", "& c #FFFF00", "' c #0000FF", " ################# ", "###################", "##########$#####%##", "##########$&&&&&%##", "###########$####%##", "###########$&&&%###", "###########$'##%###", "############$#%####", "############$%#####", "############%%#####", "##########%%%%#####", "######%%%%###%#####", "####%%%###&&#$#####", "###%###&####&$#####", "##%#&###&&###$#####", "##%##&####&#$######", "##%###&###$$#######", "#######&#$#########", " #######$######### "};./arbsrc_9167/lib/pixmaps/merge/icon.bitmap0000644012664100000130000000736111213220012020602 0ustar arb_buildcoders#define icon_width 120 #define icon_height 40 static char icon_bits[] = { 0xff, 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x80, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x80, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x40, 0x00, 0x00, 0x00, 0x20, 0x01, 0xff, 0x7f, 0x80, 0x00, 0xfe, 0xff, 0xff, 0xff, 0x1f, 0x40, 0x80, 0xff, 0x3f, 0x20, 0x01, 0x01, 0x40, 0x80, 0x00, 0x02, 0x00, 0x00, 0x00, 0x10, 0x40, 0x80, 0x00, 0x20, 0x20, 0x01, 0x01, 0x40, 0x80, 0x00, 0x02, 0x33, 0x03, 0x00, 0x10, 0x40, 0x80, 0x00, 0x20, 0x20, 0xf9, 0xff, 0xff, 0x8f, 0x00, 0x02, 0xe6, 0x01, 0x00, 0x10, 0x40, 0xfc, 0xff, 0xff, 0x27, 0x01, 0x01, 0x40, 0x80, 0x00, 0x02, 0xc6, 0x00, 0x00, 0x10, 0x40, 0x80, 0x00, 0x20, 0x20, 0x01, 0x01, 0x40, 0x80, 0x00, 0x02, 0x6c, 0x1c, 0x00, 0x10, 0x40, 0x80, 0x00, 0x20, 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unsigned char icon_vertical_bits[] = { 0xfc, 0xff, 0xff, 0xff, 0x03, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0xfc, 0xff, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0xe4, 0xff, 0xff, 0x3f, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0xe4, 0xff, 0xff, 0x3f, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0xe4, 0xff, 0xff, 0x3f, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0xe4, 0xff, 0xff, 0x3f, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0x04, 0x00, 0x01, 0x02, 0x04, 0xfc, 0xff, 0x01, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0xe4, 0xe1, 0x03, 0xfc, 0x02, 0xe4, 0xe3, 0x07, 0xfc, 0x02, 0x64, 0x66, 0x06, 0x30, 0x02, 0x64, 0x66, 0x06, 0x30, 0x02, 0x64, 0xe6, 0x03, 0x30, 0x02, 0x64, 0xe6, 0x03, 0x30, 0x02, 0x64, 0x66, 0x06, 0x30, 0x02, 0x64, 0x66, 0x06, 0x30, 0x02, 0xe4, 0xe3, 0x07, 0xfc, 0x02, 0xe4, 0xe1, 0x03, 0xfc, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0xfc, 0xff, 0xff, 0xff, 0x03, 0x00, 0x00, 0x1f, 0x00, 0x00, 0x00, 0x00, 0x1f, 0x00, 0x00, 0x00, 0x00, 0x1f, 0x00, 0x00, 0x00, 0xe0, 0xff, 0x00, 0x00, 0x00, 0xc0, 0x7f, 0x00, 0x00, 0x00, 0x80, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x1f, 0x00, 0x00, 0x00, 0x00, 0x0e, 0x00, 0x00, 0x00, 0x00, 0x04, 0x00, 0x00, 0xff, 0xff, 0xff, 0xff, 0x0f, 0x01, 0x00, 0x00, 0x00, 0x08, 0x81, 0x99, 0x01, 0x00, 0x08, 0x01, 0xf3, 0x00, 0x00, 0x08, 0x01, 0x63, 0x00, 0x00, 0x08, 0x01, 0x36, 0x0e, 0x00, 0x08, 0x61, 0xf6, 0x0f, 0x00, 0x08, 0xc1, 0xfc, 0xc0, 0x1f, 0x08, 0x81, 0x19, 0xc0, 0x1f, 0x08, 0x01, 0x1b, 0xc0, 0x20, 0x08, 0x01, 0x1e, 0xc0, 0x20, 0x08, 0x01, 0x1c, 0xc0, 0x40, 0x08, 0x01, 0x18, 0xc0, 0x40, 0x08, 0x01, 0xff, 0xc1, 0x80, 0x08, 0xfd, 0xff, 0xff, 0xff, 0x08, 0xfd, 0xff, 0xff, 0xff, 0x08, 0xfd, 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0xff, 0x7f, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0xc4, 0xff, 0xff, 0x7f, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0xc4, 0xff, 0xff, 0x7f, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0xc4, 0xff, 0xff, 0x7f, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0x08, 0x00, 0x02, 0x02, 0x04, 0xf8, 0xff, 0x03, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0xe4, 0xe1, 0xc3, 0xff, 0x02, 0xe4, 0xe3, 0xc7, 0xff, 0x02, 0x64, 0x66, 0x06, 0x33, 0x02, 0x64, 0x66, 0x06, 0x33, 0x02, 0x64, 0xe6, 0x03, 0x33, 0x02, 0x64, 0xe6, 0x03, 0x33, 0x02, 0x64, 0x66, 0x06, 0x33, 0x02, 0x64, 0x66, 0x06, 0x33, 0x02, 0xe4, 0xe3, 0xc7, 0xff, 0x02, 0xe4, 0xe1, 0xc3, 0xff, 0x02, 0x04, 0x00, 0x00, 0x00, 0x02, 0xfc, 0xff, 0xff, 0xff, 0x03 }; ./arbsrc_9167/lib/pixmaps/modify.bitmap0000644012664100000130000000102211213220012020026 0ustar arb_buildcoders#define modify_width 24 #define modify_height 24 static char modify_bits[] = { 0x47, 0x50, 0x04, 0xcf, 0xf7, 0x3e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x41, 0x00, 0x00, 0xcf, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc1, 0x2d, 0x23, 0xcf, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x45, 0x22, 0x01, 0xcf, 0xf7, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xde, 0xec, 0x79, 0xde, 0xec, 0xfd, 0xcc, 0x6d, 0xcc, 0xcc, 0xef, 0xcc, 0xcc, 0x6e, 0xcc, 0xde, 0x6c, 0xfc, 0xde, 0x6c, 0x78}; ./arbsrc_9167/lib/pixmaps/molText.xpm0000644012664100000130000000561011213220012017532 0ustar arb_buildcoders/* XPM */ static const unsigned char * moltext_xpm[] = { "140 19 10 1", " c None", "! c black", "# c #545454", "$ c #00FF00", "% c #FF0000", "& c #0066CC", "' c #111010", "( c #808080", ") c white", "* c #FFFFDF", " ########################################################################################################################################## ", "############################################################################################################################################", "###$$$###############################%%%#####&&&############################################################################################", "###$$$###########&&&#####$$$#########%%%#####&&&############################################################################################", "###$$$##########'&&&#####$$$#########%%%#####&&&'''#$$$#####################################################################################", "######'#######'''&&&#####$$$''''#####'#''####'####'''$$#####################################################################################", "#######''#%%%''####'#####'#####''&&&''##'###''######$$$##############())(####)*##())))##()####())))##())))#()###()#()####())))##############", "########''%%%######''####'#######&&&####'##''########''##############()))###)(*#()###()#()####()####()#####()###()#()####()#################", "###&&&#''#%%%######%%%###'#######&&&####''''##%%%#####''&&&##########()())#))(*#()###()#()####()####()#####()###()#()####()#################", "###&&&''###'#'#####%%%''''########'#####'''###%%%#######&&&##########()#()))#(*#()###()#()####()))*#()#####()###()#()####())))##############", "###&&&####''#'#####%%%###'#######''#####'''###%%%''#####&&&##########()##()##(*#()###()#()####()####()#####()###()#()####()#################", "########&&'##''########%%%######''###########''###''#################()######(*#()###()#()####()####()#####()###()#()####()#################", "########&&&###'########%%%'''###'###########''#####'#################()######(*#()###()#()####()####()#####()###()#()####()#################", "##%%%'''&&&###$$$''''''%%%##'$$$######&&&''''#######$$$##############()######(*##())))##())))#())))##())))#(()))*##())))#())))##############", "##%%%'########$$$############$$$#'''''&&&'##########$$$#####################################################################################", "##%%%#########$$$############$$$######&&&###########$$$#####################################################################################", "############################################################################################################################################", "############################################################################################################################################", " ########################################################################################################################################## "};./arbsrc_9167/lib/pixmaps/more.bitmap0000644012664100000130000000057711213220012017517 0ustar arb_buildcoders#define more_width 45 #define more_height 8 static unsigned char more_bits[] = { 0x83, 0xf9, 0x7c, 0x7c, 0x22, 0x02, 0xc7, 0x8d, 0xcd, 0x0c, 0x44, 0x04, 0xef, 0x8d, 0xcd, 0x0c, 0x88, 0x08, 0xbd, 0x8d, 0xcd, 0x7c, 0x10, 0x11, 0x99, 0x8d, 0x7d, 0x0c, 0x10, 0x11, 0x81, 0x8d, 0x6d, 0x0c, 0x88, 0x08, 0x81, 0x8d, 0xcd, 0x0c, 0x44, 0x04, 0x81, 0xf9, 0x8c, 0x7d, 0x22, 0x02 }; ./arbsrc_9167/lib/pixmaps/moveAll.bitmap0000644012664100000130000000131711213220012020145 0ustar arb_buildcoders#define moveAll_width 40 #define moveAll_height 20 static unsigned char moveAll_bits[] = { 0x00, 0x00, 0x00, 0x20, 0x00, 0xfe, 0xff, 0xff, 0x6f, 0x00, 0xfe, 0xff, 0xff, 0xef, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x01, 0xfe, 0xff, 0xff, 0xef, 0x03, 0xfe, 0xff, 0xff, 0xef, 0x07, 0x00, 0x00, 0x00, 0xe0, 0x0f, 0xfe, 0xff, 0xff, 0xef, 0x1f, 0xfe, 0xff, 0xff, 0xef, 0x3f, 0x00, 0x00, 0x00, 0xe0, 0x7f, 0xfe, 0xff, 0xff, 0xef, 0x3f, 0xfe, 0xff, 0xff, 0xef, 0x1f, 0x00, 0x00, 0x00, 0xe0, 0x0f, 0xfe, 0xff, 0xff, 0xef, 0x07, 0xfe, 0xff, 0xff, 0xef, 0x03, 0x00, 0x00, 0x00, 0xe0, 0x01, 0xfe, 0xff, 0xff, 0xef, 0x00, 0xfe, 0xff, 0xff, 0x6f, 0x00, 0x00, 0x00, 0x00, 0x20, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/move.bitmap0000644012664100000130000000101411213220012017506 0ustar arb_buildcoders#define move_width 24 #define move_height 24 static char move_bits[] = { 0x00, 0x06, 0x00, 0x00, 0x06, 0x00, 0x00, 0x06, 0x00, 0x00, 0x06, 0x00, 0x00, 0xfe, 0x07, 0x00, 0xff, 0x07, 0x80, 0x03, 0x00, 0xc0, 0xf1, 0x00, 0xff, 0xe0, 0x00, 0xff, 0xb1, 0x00, 0x80, 0x1b, 0x00, 0x00, 0xff, 0x01, 0x00, 0xfe, 0x01, 0x00, 0x06, 0x00, 0x00, 0x06, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x00, 0x63, 0xce, 0xf6, 0x77, 0xdb, 0x36, 0x7f, 0xdb, 0x36, 0x6b, 0xdb, 0x76, 0x63, 0x9b, 0x33, 0x63, 0x9b, 0x33, 0x63, 0x0e, 0xf1}; ./arbsrc_9167/lib/pixmaps/moveDownAll.bitmap0000644012664100000130000000046111213220012020774 0ustar arb_buildcoders#define moveDownAll_width 16 #define moveDownAll_height 16 static unsigned char moveDownAll_bits[] = { 0x00, 0x00, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xfc, 0x1f, 0xf8, 0x0f, 0xf0, 0x07, 0xec, 0x1b, 0xd8, 0x0d, 0xb0, 0x06, 0x60, 0x03, 0xc0, 0x01, 0x80, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/moveDown.bitmap0000644012664100000130000000045011213220012020341 0ustar arb_buildcoders#define moveDown_width 16 #define moveDown_height 16 static unsigned char moveDown_bits[] = { 0x00, 0x00, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xfc, 0x1f, 0xf8, 0x0f, 0xf0, 0x07, 0xe0, 0x03, 0xc0, 0x01, 0x80, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/moveLeft.bitmap0000644012664100000130000000112411213220012020323 0ustar arb_buildcoders#define moveLeft_width 30 #define moveLeft_height 20 static unsigned char moveLeft_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x01, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0xc0, 0x01, 0x00, 0x00, 0xe0, 0x01, 0x00, 0x00, 0xf0, 0x01, 0x00, 0x00, 0xf8, 0xff, 0xff, 0x1f, 0xfc, 0xff, 0xff, 0x1f, 0xfe, 0xff, 0xff, 0x1f, 0xfc, 0xff, 0xff, 0x1f, 0xf8, 0xff, 0xff, 0x1f, 0xf0, 0x01, 0x00, 0x00, 0xe0, 0x01, 0x00, 0x00, 0xc0, 0x01, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/moveRight.bitmap0000644012664100000130000000112711213220012020511 0ustar arb_buildcoders#define moveRight_width 30 #define moveRight_height 20 static unsigned char moveRight_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x00, 0x00, 0x00, 0x60, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x00, 0xe0, 0x01, 0x00, 0x00, 0xe0, 0x03, 0xfe, 0xff, 0xff, 0x07, 0xfe, 0xff, 0xff, 0x0f, 0xfe, 0xff, 0xff, 0x1f, 0xfe, 0xff, 0xff, 0x0f, 0xfe, 0xff, 0xff, 0x07, 0x00, 0x00, 0xe0, 0x03, 0x00, 0x00, 0xe0, 0x01, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x00, 0x60, 0x00, 0x00, 0x00, 0x20, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/moveUpAll.bitmap0000644012664100000130000000045311213220012020452 0ustar arb_buildcoders#define moveUpAll_width 16 #define moveUpAll_height 16 static unsigned char moveUpAll_bits[] = { 0x00, 0x00, 0x80, 0x00, 0xc0, 0x01, 0x60, 0x03, 0xb0, 0x06, 0xd8, 0x0d, 0xec, 0x1b, 0xf0, 0x07, 0xf8, 0x0f, 0xfc, 0x1f, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/moveUp.bitmap0000644012664100000130000000044211213220012020017 0ustar arb_buildcoders#define moveUp_width 16 #define moveUp_height 16 static unsigned char moveUp_bits[] = { 0x00, 0x00, 0x80, 0x00, 0xc0, 0x01, 0xe0, 0x03, 0xf0, 0x07, 0xf8, 0x0f, 0xfc, 0x1f, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0xc0, 0x01, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/nearestn.bitmap0000644012664100000130000000103011213220012020355 0ustar arb_buildcoders#define nearestn_width 24 #define nearestn_height 24 static char nearestn_bits[] = { 0x00, 0x00, 0x00, 0x0c, 0x00, 0x0c, 0x1c, 0x00, 0x0e, 0x38, 0x00, 0x07, 0x70, 0x80, 0x03, 0xe0, 0xff, 0x01, 0xe0, 0xff, 0x01, 0x70, 0x80, 0x03, 0x38, 0x00, 0x07, 0xdc, 0xf3, 0x0e, 0xcc, 0xe1, 0x0c, 0x40, 0xb3, 0x00, 0x00, 0x1e, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc6, 0x8c, 0x79, 0xc6, 0x8c, 0x31, 0xce, 0x9c, 0x31, 0xde, 0xbc, 0x31, 0xf6, 0xec, 0x31, 0xe6, 0xcc, 0x31, 0xc6, 0x8c, 0x79}; ./arbsrc_9167/lib/pixmaps/no.bitmap0000644012664100000130000000035111213220012017157 0ustar arb_buildcoders#define no_width 14 #define no_height 13 static char no_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf8, 0x07, 0x08, 0x04, 0x08, 0x04, 0x08, 0x04, 0x08, 0x04, 0x08, 0x04, 0xf8, 0x07, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/notEqual.xpm0000644012664100000130000000410411213220012017663 0ustar arb_buildcoders/* XPM */ static char *notEqual[]={ "24 16 77 2", ".O c #ab9e9a", "#h c #b05d41", ".U c #b6b5b5", "#g c #b77862", ".M c #b87660", ".I c #b8a199", ".8 c #b8a39c", ".Y c #b8b8b8", "#e c #ba4f2c", ".G c #bda198", ".S c #be6141", ".T c #c4c3c3", ".Z c #c7c7c7", ".2 c #c8c8c8", "#d c #c9c8c8", ".F c #ca4b21", "#b c #cb491e", ".h c #cba092", ".y c #cbcbcb", ".9 c #cc7457", ".B c #cccccc", ".n c #cdbab3", "#c c #cebcb6", ".u c #cfcfcf", ".P c #d06845", ".J c #d15932", ".A c #d1d1d1", ".L c #d23805", "#i c #d43602", "#k c #d43704", "#j c #d43a07", ".# c #d53b08", ".m c #d6d6d6", "#f c #d73600", ".c c #d77a5c", ".b c #d83b07", ".6 c #d8bbb2", "Qt c #d93600", ".e c #d93904", ".z c #d9d9d9", ".D c #dc3e04", ".V c #dcb4a6", ".s c #dcdcdc", ".K c #dd440b", ".E c #dd4c1c", ".0 c #dedede", ".Q c #df4608", ".a c #df582b", ".H c #dfdfde", ".W c #e15216", ".R c #e16339", ".f c #e1714c", ".N c #e1e1e1", ".v c #e2e2e2", ".o c #e39b83", ".5 c #e49277", ".4 c #e55710", ".X c #e5e5e5", ".t c #e7e7e7", ".i c #e85f15", "#. c #e88d6f", "#a c #e96d2c", "## c #e98e70", ".1 c #ededed", ".p c #ee7b38", ".j c #eea68e", ".k c #eea992", ".d c #f1c8ba", ".g c #f1dfd9", ".7 c #f1f1f1", ".q c #f58026", ".l c #f6d8ce", ".C c #f7f7f7", ".w c #f8f8f8", ".3 c #fcfcfc", ".x c #ffb266", ".r c #ffffff", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQt.#.aQtQtQtQtQtQtQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQt.b.c.dQtQtQtQtQtQtQtQt", "QtQtQtQtQtQtQtQtQtQtQtQt.e.f.g.hQtQtQtQtQtQtQtQt", "QtQtQtQtQt.i.j.j.j.j.j.j.k.l.m.n.o.pQtQtQtQtQtQt", "QtQtQtQtQt.q.r.r.r.r.r.r.s.t.u.v.w.xQtQtQtQtQtQt", "QtQtQtQtQt.q.r.r.r.r.r.y.z.A.B.C.r.xQtQtQtQtQtQt", "QtQtQtQtQt.D.E.E.E.E.F.G.H.I.J.E.E.KQtQtQtQtQtQt", "QtQtQtQtQtQtQtQtQt.L.M.N.O.PQtQtQtQtQtQtQtQtQtQt", "QtQtQtQtQt.Q.R.R.R.S.T.U.V.R.R.R.R.WQtQtQtQtQtQt", "QtQtQtQtQt.q.r.r.X.Y.Z.0.r.r.r.r.r.xQtQtQtQtQtQt", "QtQtQtQtQt.q.r.1.2.m.2.3.r.r.r.r.r.xQtQtQtQtQtQt", "QtQtQtQtQt.4.5.6.7.8.9#.###########aQtQtQtQtQtQt", "QtQtQtQtQtQt#b#c#d#e#fQtQtQtQtQtQtQtQtQtQtQtQtQt", "QtQtQtQtQtQt.##g#h#iQtQtQtQtQtQtQtQtQtQtQtQtQtQt", "QtQtQtQtQtQtQt#j#kQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt"}; ./arbsrc_9167/lib/pixmaps/optimize.bitmap0000644012664100000130000000103011213220012020376 0ustar arb_buildcoders#define optimize_width 24 #define optimize_height 24 static char optimize_bits[] = { 0xcc, 0xcc, 0x1e, 0xcc, 0xcc, 0x0c, 0xdc, 0xdc, 0x0c, 0xfc, 0xfc, 0x0c, 0xec, 0xec, 0x0c, 0xcc, 0xcc, 0x0c, 0xcc, 0xcc, 0x1e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x18, 0x00, 0x00, 0x18, 0x00, 0x00, 0x7e, 0x00, 0x00, 0x7e, 0x00, 0x00, 0x18, 0x00, 0x00, 0x18, 0x00, 0x00, 0x00, 0x00, 0x98, 0x61, 0x00, 0xd8, 0x60, 0x00, 0x78, 0x60, 0x00, 0x38, 0x60, 0x00, 0x78, 0x60, 0x00, 0xd8, 0xec, 0x1b, 0x98, 0xed, 0x1b, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/pgt/analyze.xpm0000644012664100000130000000415711213220012020340 0ustar arb_buildcoders/* XPM */ static char *analyze[]={ "32 32 64 1", ". c None", "F c #333333", "2 c #444445", "o c #4a4a4a", "I c #4e4e4e", "M c #4f4f4f", "O c #535353", "W c #585858", "w c #5f5f60", "H c #6e6e72", "a c #7c7c80", "# c #838383", "E c #88888b", "Y c #8a6f72", "J c #8b8b8e", "N c #909092", "X c #989898", "x c #aeaeb6", "0 c #b27272", "Z c #bababd", "1 c #bb4649", "n c #cbcbd1", "7 c #ceccd7", "K c #cecedb", "6 c #d1d1d9", "y c #d1d1dd", "v c #d3d3df", "L c #d5d3d4", "z c #d5d5e0", "5 c #d6d6dd", "u c #d7d7e1", "k c #d9d7e0", "t c #d9d9e3", "4 c #dadae1", "R c #dbd9e2", "A c #dbdbe4", "B c #dcdce5", "3 c #dddde3", "s c #dddde6", "9 c #dedede", "C c #dedee7", "r c #e0e0e8", "8 c #e1e1e1", "q c #e3e3ea", "D c #e4e4eb", "Q c #e58e94", "p c #e6e6ec", "P c #e7b5ba", "G c #e7e7ee", "l c #e9e9ef", "S c #eae8ec", "m c #ebebef", "j c #ececf1", "i c #ededf2", "V c #ef6165", "h c #efeff3", "g c #f2f2f5", "T c #f34043", "f c #f5f5f7", "e c #f5f5f8", "U c #f71b1c", "d c #f8f8fa", "c c #fbfbfc", "b c #fdfdfe", ".#############################a.", "#bbcdddefgghhijkllmjiihhhggggfno", "#bdeghjlpqrstuvwxyyvzutABCrqDpno", "EbdeghjlpqrstuxFwyyvzutABCrqDGno", "EbdeghjlpqrstunHxyyvzutABCrqDGnI", "JbdeghjlpqrstzyaKyyvzutABCrqDGLI", "JbdeghjlpqrstuvaKyyvzutABCrqDpLM", "NbdeghjlpqrstuvaKyyvzutABCrqDGLO", "NbdeghjlpPQLRuvaKyyvzutABCrqDGLO", "NbdeghjSTUTUVuvaKyyvzutABCrqDGLO", "NbdeghiTVDrCUVvaKyyvzutABCrqDGLW", "XbdeghPUSqrsAUPaKyyvzutABCrqDGLW", "XbdeghUPlqrstQTaKyyvzutABCrqDGLW", "XbdegVVipqrsAzUYKyyvzutABCrqDGLw", "XbdegUSlpqrstvQUKyyvzutABCrZrGLw", "XLXX0UXNNNNJJJaU#EEEEJJJJN1M2xLw", "XdmSqr3345567nn1Tnnnn7766QTH#kLw", "XbdeghjlpqrstuyaUnKvvutABUPCDGLw", "XbdeghjlpqrstzyaVVyvzutBQUCqDGLW", "XbdeghjlpqrstuvanUKvzutkULrqDGLW", "Nbdeghjlpqrstuva7VTyzutTVCrqDGLW", "NbdeghjlpqrstuvaK7TTzuVUsCrqDGLW", "NbdeghjlpqrstuvaKyvTUUTRBCrqDGLO", "NbdeghjlpqrstuvaKKyzuuABBCrqDGLO", "JbdeghjlpqrstuvaKyyvvutABCrqDGLM", "JbdeghjlpqrstuvaKyyvzutABCrqDGLM", "JbdeghjlpqrstuvaKyyvzutABCrqDpLI", "EbdeghjlpqrstuvaKyyvzutABCrqDGnI", "EbdeghjlpqrstuvaKyyvzutABCrqDGno", "#bdeghjlpqrstuvaKyyvzutABCrqDGno", "a88888888888888988888888888888Zo", ".MMMMMMMMMMMMMMMMMMMMMMMMMMMMMI."}; ./arbsrc_9167/lib/pixmaps/pgt/arb2mark22.xpm0000644012664100000130000000126311213220012020535 0ustar arb_buildcoders/* XPM */ static char *dummy[]={ "22 22 5 1", ". c none", "a c #000000", "b c #00ffff", "# c #696969", "c c #ffff00", "..#aa##aaa#a##a#aaa#..", ".#abbaabbbabaababbba..", ".abaababaaabbababaa#..", ".aba#aabbaabbbbabba...", ".abaababaaababbabaa#..", ".#abbbabbbabaababbba..", "..#aaa#aaa#a##a#aaa#..", "......................", "......#aaa#aa#........", "......acccacca#.......", "......#acacaaca.......", ".......acacaaca.......", ".......acacaaca.......", ".......acaacca#.......", ".......#a##aa#........", "...#aa##aaa##aa#aaa#..", "..#abbaabbbaabbabbba..", "..abaababababaababa#..", "..#abbaabbbabaababa...", "..abaababaaabaababa...", "..#abbaaba.#abbaaba...", "...#aa##a#..#aa##a#..."}; ./arbsrc_9167/lib/pixmaps/pgt/circle22.xpm0000644012664100000130000000211411213220012020271 0ustar arb_buildcoders/* XPM */ static char *circle22[]={ "22 22 32 1", ". c None", "# c #000000", "a c #001b1b", "g c #002929", "b c #00abab", "d c #00c300", "e c #00cb00", "f c #00cf00", "m c #00db00", "i c #00e300", "c c #00e9e9", "j c #00ef00", "l c #00f2f2", "n c #00f300", "o c #00fb00", "k c #00ff00", "h c #00ffff", "p c #180018", "w c #181800", "u c #2a002a", "C c #2a2a00", "r c #540054", "z c #545400", "x c #adad00", "q c #b100b1", "y c #bdbd00", "v c #ea00ea", "D c #eaea00", "s c #f200f2", "A c #f2f200", "t c #ff00ff", "B c #ffff00", "...####.......#####...", ".#abccba#.....#def#...", ".gchhhhcg.....#eij#...", "#bhhhhhhb#.####fjk####", "#lhhhhhhl#.#defmnknmf#", "#lhhhhhhl#.#eijnokonj#", "#bhhhhhhb#.#fjkkkkkkk#", ".gchhhhcg..####nok####", ".pabccbap.....#mnk#...", "#qqrpprqq#....#fjk#...", "#stttttts#....#####...", "#stttttts#............", "#qttttttq#............", ".uvttttvu.............", ".wpqvvqpw.............", "#xyzwwzyx#............", "#ABBBBBBA#............", "#ABBBBBBA#............", "#xBBBBBBx#............", ".CDBBBBDC.............", ".#wxDDxw#.............", "...####..............."}; ./arbsrc_9167/lib/pixmaps/pgt/config.xpm0000644012664100000130000000321611213220012020135 0ustar arb_buildcoders/* XPM */ static char *config[]={ "32 32 32 1", ". c None", "n c #030101", "m c #3d7cd5", "l c #6395e3", "b c #6a6a6a", "c c #8c8c8d", "# c #a60000", "k c #a9c4f6", "v c #b6b6b5", "i c #bdd2f7", "q c #c3d0e4", "t c #c5c5c5", "D c #c9ccd3", "u c #cdcdcd", "h c #cddbf2", "s c #d5d5d5", "g c #d7e4f7", "B c #ddddde", "e c #e5eefe", "p c #e6e6e7", "f c #ecf3ff", "C c #eeeeee", "j c #f1f6ff", "w c #f4f4f4", "d c #f5f9ff", "y c #f8f8f8", "z c #fafafa", "A c #fbfbfb", "x c #fcfcfb", "r c #fcfcfc", "a c #ffc0c0", "o c #ffffff", "...........................##a##", "bccccccccccccccccccccccccc##a###", "bdefeeeeegggggghhhhhhhihi##a####", "bjkhiiiiklllllmlmmmmmmmm##a#####", "bdkhkikkklllllllmlmmmmm##a#####n", "bogghghhhpehqqhqqqqqqq##a#####n.", "brstussuvswsttsssuttt##a#####nb.", "bouuussttusuututtpxxydt#####ncb.", "borxoxxxrrxzxxzyyyArBoBt###ncvb.", "boCppCpBpCCppppppppBoBttc#ncvsb.", "boBssBBusBBssuuusBsoBttcnnccsCb.", "bospBBCBBpBpBBBssBB#tvnncccvpyb.", "boowwwwwwwwCCCrABp##nncccttswyb.", "bozCooxzCxxxrCwwus#ncccvttuBwyb.", "boyBBBBBsBBBBswwsssccvtusuuBCyb.", "boypoopDpooppoAyoCxwyCoCpoowwyb.", "boronnoCrnnoonoononnnonoonnoAyb.", "boonoononoononnononooononoonoyb.", "boonoyoonoononnnnonnnononozoAyb.", "boonoononoonononnonooononoonoyb.", "boyonnoConnoonoononouonoonnnozb.", "boCpooptBooppoyAopopuCoppooozyb.", "boCDsDDqtDDDDDwwpBBBppppBppBAyb.", "bowpyyywpywwypCyzzAAzcccccccccb.", "bowpCpCpBCppCpwzyyyyycCyywwrCb..", "bozywyyyyyyzyyzzrrzzAcCrrooyb...", "bouttttsBuuuvsstuBsutcCwwrwb....", "botsusuuuBsttuustuuuucpCwCb.....", "botttuuutusvttuuttuutcpCpb......", "botussuBttBpusBBusBsscppb.......", "bossBBsBsuwoooooooooocBb........", "bcccccccccccccccccccccb........."}; ./arbsrc_9167/lib/pixmaps/pgt/cross22.xpm0000644012664100000130000000147311213220012020170 0ustar arb_buildcoders/* XPM */ static char *cross[]={ "22 22 14 1", ". c None", "# c #000000", "a c #00c300", "b c #00cb00", "c c #00cf00", "g c #00db00", "d c #00e300", "e c #00ef00", "h c #00f300", "i c #00fb00", "f c #00ff00", "j c #ab0000", "k c #db0000", "l c #f30000", "..............#####...", "..............#abc#...", "..............#bde#...", "...........####cef####", "...........#abcghfhgc#", "....####...#bdehifihe#", "....#jj#...#cefffffff#", "..###kk###.####hif####", "..#jkllkj#....#ghf#...", "..#jkllkj#....#cef#...", "..###kk###....#####...", "....#jj#..............", "....####.....####.....", ".............#jj#.....", "..####.....###kk###...", "..#jj#.....#jkllkj#...", "###kk###...#jkllkj#...", "#jkllkj#...###kk###...", "#jkllkj#.....#jj#.....", "###kk###.....####.....", "..#jj#................", "..####................"}; ./arbsrc_9167/lib/pixmaps/pgt/exit.xpm0000644012664100000130000000263411213220012017644 0ustar arb_buildcoders/* XPM */ static char *exit[]={ "32 32 16 1", ". c None", "# c #a62512", "a c #b5482a", "h c #ba5230", "d c #bc5e39", "i c #c26e46", "b c #c57453", "j c #c87f57", "c c #c98060", "g c #ce8d69", "f c #d7a081", "e c #dfab90", "m c #ebc2ad", "k c #f4d5c3", "l c #feebe0", "n c #fefffc", "................................", ".....######################.....", "...##abccccccccccccbbbbbbda##...", "..##befgccccccccccccccccccgd##..", "..#bfbahdddddddidiiiiijbjbccd#..", ".#aedhhddddddiidiiiiiiiibjjjc##.", ".#bfaddhdddibekllmecjijjijjjgd#.", ".#ccdhhdddclnnnnnnnnkjbjjjgccd#.", ".#fcdddddennnnnnnnnnnngjjjjjjb#.", ".#cchdddennnnmciifknnnnfjjjjcd#.", ".#ccdddfnnnkbibfcbbgnnnngjggjd#.", ".#ccdddlnnkiibenngjbjnnnkggjcd#.", ".#ccbdfnnniiiimnnfjjjfnnngggjd#.", ".#ccddmnnediibmnnfbjjjknneggcd#.", ".#ccddlnnjiiibmnnfjjjcennkggch#.", ".#cciinnniijijmnnfjjcjennkggjd#.", 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"##.................###"}; ./arbsrc_9167/lib/pixmaps/pgt/msg.xpm0000644012664100000130000000305111213220012017453 0ustar arb_buildcoders/* XPM */ static char * msg_xpm[] = { "32 32 25 1", " c None", ". c #212321", "+ c #3B3B31", "@ c #706E13", "# c #D24E00", "$ c #CC5700", "% c #747673", "& c #E48400", "* c #92948F", "= c #A2A05A", "- c #A29F82", "; c #AFAF35", "> c #E8A101", ", c #F2AB00", "' c #FAC600", ") c #F7D60F", "! c #D0CFB6", "~ c #FFFE0B", "{ c #FDFC3E", "] c #FFFC62", "^ c #FEFC83", "/ c #FFFC9A", "( c #FEFDAE", "_ c #F9F8DA", ": c #FCFCC4", " ", " ", " ", " #### ", " #&&# ", " ##,'## ", " #>''># ", " #$'::'$# ", " ##,(__(,#$ ", " #&'____]$# ", " ##':!**!:'$$ ", " #&/_****!/&# ", " #$':!****!:)$# ", " #,/__****!:/,# ", " #&):::****:::)&# ", " ##'(:::-***:(:/'#$ ", " #&](((:!%%!(((/]&# ", " #$)/(((((%%:/(//^)$# ", " #,]//////%%//^//^{,# ", " #$~^//////--^^^^^]])&# ", " ##']^]^^^^]^^^^]]]]]{'#$ ", " #&~]]]]]]]]]]]]]]]]{]~&# ", " #$){]]]]]]{=++={{{{{{{{)$$ ", " #>~{{{{{{{{+...{{{~~~~~~># ", " #$~{~~~{{{{{+...{{~~{~{~~~$# ", " #'~~~~~~~~~~;..@~~~~~~~~~~'# ", " #&~~~~~~~~~~~~~~~~~~~~~~~~~~&# ", " #&))))))))))))))))))))))))))&# ", " ######$#$$$#$##$#$#$#$#######$ ", " ", " ", " "}; ./arbsrc_9167/lib/pixmaps/pgt/onlyid22.xpm0000644012664100000130000000126411213220012020333 0ustar arb_buildcoders/* XPM */ static char *onlyid[]={ "22 22 5 1", ". c none", "a c #000000", "c c #00ff00", "# c #696969", "b c #ffff00", ".#aaa#a##a##aa##a#.#a#", "#abbbabaabaabbaabaaaba", "abaaaabaababaababababa", "#abbaabbbbabaababababa", "#aaababaababaabaababa#", "abbbaabaabaabba#ababa.", "#aaa##a##a##aa#.#a#a#.", "........#aa#aaaaa#....", "........abbabbbbba#...", "....#a#.abbabbaabba...", "...#aca#abbabbaabba...", "...acccaabbabbaabba...", "...#aca#abbabbaabba...", "....#a#.abbabbbbba#...", "........#aa#aaaaa#....", "...#aa##a##a#a#.#a#a#.", "..#abbaabaababa.ababa.", "..abaababbababa.ababa.", "..abaabababbaba.#aba#.", "..abaababaababaa#aba..", "..#abbaabaababbbaaba..", "...#aa##a##a#aaa##a#.."}; ./arbsrc_9167/lib/pixmaps/pgt/proteininfo.xpm0000644012664100000130000000322411213220012021223 0ustar arb_buildcoders/* XPM */ static char *protein_info[]={ "32 32 32 1", "C c None", "l c #000000", "A c #0e0e0e", "u c #191919", "v c #3d143d", "t c #595959", "d c #5e88ff", "y c #780078", "c c #86a6ff", ". c #989898", "z c #9f9f9f", "b c #aec2fc", "s c #b4b4b4", "w c #b900b9", "f c #c4d3fe", "e c #d3dfff", "D c #d5d5d5", "r c #e9e9e9", "q c #f0f0f0", "p c #f3f3f3", "o c #f4f4f4", "n c #f7f7f7", "m c #f9f9f9", "k c #faf7f0", "x c #fc00fc", "j c #fcf9f2", "a c #fcfcfc", "i c #fefbf3", "B c #ff0000", "h c #fffef7", "g c #fffffb", "# c #ffffff", "................................", ".##############################.", ".abbcbccccccdcdddddddddddddddd#.", ".abbbccccccdcddddddddddddddddd#.", ".#eeeeeeeffffffffbbbbbbbbbbbbb#.", ".###########gggahhhhhhhiijjkkk#.", ".#lll#llll##llmlllnlllnlolpqlq#.", ".#l#l#l##l#laalmlnnlnnnlpllqlq#.", ".#lll#llll#lamlmlnnllnolpllllr#.", ".#l###l#l#alamlmlnnlooolplqllr#.", ".#l###l##laallmnlnolllolplqqlr#.", ".########aaammmnnooooooppqqrrr#.", ".#######lalamlmllloollppqqqrrra.", ".######alallmlnloooloolqqqrrrr#.", ".######alallllnlllolpplqqrrrrr#.", ".######alalmllnlopplpplqrrrrrr#.", ".#####aalmlmnlnloppqllqrrqrqrq#.", ".#m###aaammmnnoo#############q#.", ".#qqonstuutsopqotttttttttttt#q#.", ".#qrrtvwwxwvtrqqnamooooooonnaq#.", ".#qqtyxxxxxxytqqtttttttattttmqm.", ".#qzvxxxxxxxxvzoqpnooanrqmnm#oa.", ".#nvwxxxxxxxxwvmttt#ttp.........", ".#nAxxxxxBxxxxAnma#aqap.rrrrrrrt", ".#nAxxxxBBBxxxAoooonnnp.m##aa#.C", ".#nvwxxxxBxxxwvmnnnnnno.pnnaatCC", ".#mzvxxxxxxxxvzoonnnnno.qqnq.CCC", ".#natyxxxxxxytmmnnnmmmo.rqntCCCC", ".#mmrtvwxxwvtqanmmmmmmn.rrtCCCCC", ".#aa##stAAts#aaaaaaaaaa.DtCCCCCC", ".#opppqqpqqppppppppoooo.tCCCCCCC", "........................CCCCCCCC"}; ./arbsrc_9167/lib/pixmaps/pgt/text22.xpm0000644012664100000130000000143411213220012020020 0ustar arb_buildcoders/* XPM */ static char *text[]={ "22 22 12 1", ". c None", "# c #000000", "a c #00c300", "b c #00cb00", "c c #00cf00", "g c #00db00", "d c #00e300", "e c #00ef00", "h c #00f300", "i c #00fb00", "f c #00ff00", "j c #ffff00", "..............#####...", "..............#abc#...", "..............#bde#...", "...........####cef####", "...........#abcghfhgc#", "...........#bdehifihe#", "...........#cefffffff#", "...........####hif####", "..............#ghf#...", "..............#cef#...", "..............#####...", "......................", "#####..#############..", "#j#j##.#j#jjjj##jjj##.", "#j#jj###j#j####j###j#.", "#j#j#j##j#j####j#.#j#.", "#j#j#j##j#jjj##j#.#j#.", "#j#j##j#j#j####j#.#j#.", "#j#j###jj#j#..#j###j#.", "#j#j#.##j#j#..##jjj##.", "#####..#####...#####..", "......................"}; ./arbsrc_9167/lib/pixmaps/pgt/textonly22.xpm0000644012664100000130000000207611213220012020725 0ustar arb_buildcoders/* XPM */ static char *text_only[]={ "22 22 31 1", ". c None", "# c #000000", "e c #0d0d00", "u c #0f0f00", "f c #1b001b", "b c #1b1b00", "l c #270027", "i c #272700", "o c #2a002a", "z c #2a2a00", "y c #515100", "q c #545400", "g c #a800a8", "c c #a8a800", "r c #ab00ab", "p c #abab00", "s c #ae00ae", "x c #aeae00", "A c #baba00", "k c #bdbd00", "h c #e400e4", "d c #e4e400", "C c #e700e7", "B c #e7e700", "m c #ed00ed", "j c #eded00", "v c #f000f0", "t c #f0f000", "w c #f300f3", "n c #ff00ff", "a c #ffff00", "..################....", "..#a#a##a#aaa##aa##...", "..#a#aa#a#a###a##a#...", "..#a#aaaa#aaa#a##a#...", "..#a#a#aa#a###a##a#...", "..#a#a##a#a#.##aa##...", "..################....", "....#bcddcefghhgf#....", "....ijaaaklmnnnnmo....", "...#paaaaqrnnnnnns#...", "...#taaaauvnnnnnnw#...", "...#taaaauvnnnnnnw#...", "...#xaaaaysnnnnnns#...", "....zjaaaAomnnnnmo....", "....#bpBBpefrCCrf#....", "..###############.###.", ".##aa##a##a#a##a###a#.", ".#a##a#aa#a#a###a#a##.", ".#a##a#aaaa#a#.##a##..", ".#a##a#a#aa#a####a#...", ".##aa##a##a#aaa##a#...", "..#################..."}; ./arbsrc_9167/lib/pixmaps/pgt/visualize.xpm0000644012664100000130000000414511213220012020705 0ustar arb_buildcoders/* XPM */ static char *visualize[]={ "32 32 63 1", "5 c #027171", "6 c #0cf1f1", "J c #170c09", "C c #1a2526", "B c #3f3f42", "W c #490049", "k c #4a4a4a", "F c #4f4f4f", "T c #565657", "P c #5e5e60", "D c #656568", "G c #707072", "L c #717100", "a c #767e81", "N c #800000", "# c #838383", "7 c #83cdcd", "z c #88888c", "Q c #8b9295", "V c #97979a", "A c #9f9fa5", "R c #a700a7", "I c #afafb8", "H c #babac0", "E c #c2c2ca", "j c #cbcbd2", "t c #cecedb", "s c #cfcfdc", "r c #d1d1dd", "2 c #d2d1d9", "U c #d2d1dc", "3 c #d3d3da", "u c #d3d3df", "M c #d5d3d4", "0 c #d5d4dc", "Z c #d6d6dd", "q c #d6d6e1", "1 c #d7d6db", "X c #d7d6df", "O c #d9d9de", "p c #d9d9e3", "4 c #dbdbe0", "v c #dbdbe4", "w c #dcdce5", "o c #dddde6", "n c #e0e0e8", "8 c #e1e1e1", "Y c #e2e2e8", "m c #e3e3ea", "x c #e4e4eb", "y c #e7e7ed", "i c #e9e9ef", "h c #ececf1", "g c #efeff3", "K c #f1f100", "f c #f2f2f5", "e c #f5f5f7", "d c #f5f5f8", "c c #f8f8fa", "S c #fb00fb", "b c #fbfbfc", ". c #fdfdfe", "l c #ff0000", ".#############################a.", "#..bcccdeffgghhiiihhhhgggffffejk", "#.cdfghilmnopqrstrruqqpvwonmxyjk", "z.cdfghilmnopqrstrruqqpvwonmxyjk", "z.cdfghilmnopqrstrruqqpvABCDEyjF", "z.cdfghilAGHpqrstrruqqpIJKKLDyMF", "z.cdfghuNLLJDqrszCJCaqOPLKKKLAMF", "Q.cdfghaLKKKJErIJRSSJApBKKKKLQMT", "Q.cdfghCKKKKLaUTRSSSRkpAJKKKJpMF", "Q.cdfghCKKKKL#uBRSSSRBqwGJJCAyMT", "Q.cdfghaLKKKJtuVWSSSWQpvonuxmyMT", "V.cdfghiNJLJauutPJWJPqpvwonmxyMT", "V.cdfghilEQtuXuttEAEuqpvwonmxyMT", "V.cdfghilmnopuustttuqqpvwonmxyMP", "V.cdfghilmnopqustrruqqpvwonmxyMP", "V.cdfghilmnopqustrruqqpvwonmxyMP", "V.cdfghilmnoGPkkkkkkkkkkkkkkGYMP", "V.cdfghilmnoZXustrruqqpvwonmnYMP", "V.cdfghilmnoGFkkkka0Pkkkkkkk#mMT", "V.cdfghilmno1XustU230qpvwonmnxMT", "Q.cdfghilmnoGDksGTkkDZpvwonmxyMT", "Q.cdfg4aJVnoXXus2Uru0ZpvwonmxyMT", "Q.cdfyJ565DopqustrruqqpvwonmxyMT", "Q.cdfQa666JEpqustrruqqpvQBDExyMF", "z.lllN76665NlllllllllllNWRRJNlMF", "z.cdgzQ666CHpqustrruqqVWSSSRkyMF", "z.cdfnC565PwpqustrruqqDRSSSSJyMF", "z.cdfgIPJauwpqustrruqqIJSSSRTyjF", "z.cdfghilYnopqustrruqqpDJWWPHyjk", "#.cdfghilmnopqustrruqqpwEzAnxyjk", "a8888888888888888888888ono8888Hk", ".FFFFFFFFFFFFFFFFFFFFFFFFFFFFFF."}; ./arbsrc_9167/lib/pixmaps/pjump.bitmap0000644012664100000130000000055711213220012017706 0ustar arb_buildcoders#define pjump_width 39 #define pjump_height 9 static unsigned char pjump_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0xf8, 0x67, 0x66, 0xcc, 0x07, 0xf8, 0x67, 0xe6, 0xce, 0x0f, 0x80, 0x61, 0xe6, 0xcf, 0x0c, 0x80, 0x61, 0xe6, 0xcf, 0x0f, 0x80, 0x61, 0x66, 0xcd, 0x07, 0x98, 0x61, 0x66, 0xcc, 0x00, 0xf8, 0xe1, 0x67, 0xcc, 0x00, 0xf0, 0xc0, 0x63, 0xcc, 0x00}; ./arbsrc_9167/lib/pixmaps/polygon.bitmap0000644012664100000130000000044511213220012020236 0ustar arb_buildcoders#define polygon_width 16 #define polygon_height 16 static unsigned char polygon_bits[] = { 0x80, 0x01, 0xc0, 0x03, 0xe0, 0x07, 0xf0, 0x0f, 0xf8, 0x1f, 0xfc, 0x3f, 0xfe, 0x7f, 0xfe, 0x7f, 0xfe, 0x7f, 0xfc, 0x3f, 0xfc, 0x3f, 0xf8, 0x1f, 0xf8, 0x1f, 0xf0, 0x0f, 0xf0, 0x0f, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/clipall.bitmap0000644012664100000130000000322511213220012021322 0ustar arb_buildcoders#define clipall_width 64 #define clipall_height 32 static char clipall_bits[] = { 0x00, 0xf8, 0xf1, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf8, 0xf1, 0x01, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x1f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xff, 0xf3, 0x00, 0x00, 0x00, 0x00, 0x00, 0x60, 0xf8, 0xf3, 0x00, 0x00, 0x00, 0x00, 0x00, 0x60, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x75, 0x55, 0x55, 0x00, 0x00, 0x00, 0x00, 0x00, 0x60, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7d, 0x00, 0x40, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7c, 0x00, 0x00, 0x78, 0xb3, 0xc7, 0xf3, 0x7e, 0xed, 0xcf, 0x5d, 0x18, 0xb3, 0x6d, 0xb6, 0x19, 0xec, 0xcf, 0x1d, 0x18, 0x9e, 0x6d, 0xb6, 0x19, 0x0d, 0x00, 0x40, 0x38, 0x8c, 0x67, 0xf6, 0x18, 0x0c, 0x00, 0x00, 0x18, 0x9e, 0x61, 0xf6, 0x18, 0xed, 0xf3, 0x41, 0x18, 0xb3, 0x61, 0xb6, 0x19, 0xec, 0xf3, 0x01, 0x78, 0xb3, 0xc1, 0xb3, 0x19, 0x7d, 0x00, 0x40, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x61, 0x00, 0x40, 0x00, 0x60, 0x8c, 0x01, 0x00, 0x60, 0x00, 0x00, 0x00, 0xf0, 0x8c, 0x01, 0x00, 0x65, 0x55, 0x55, 0x00, 0x98, 0x8d, 0x01, 0x00, 0x60, 0x00, 0x00, 0x00, 0xf8, 0x8d, 0x01, 0x00, 0x60, 0x00, 0x00, 0x00, 0x98, 0x8d, 0x01, 0x00, 0xe0, 0xcf, 0x3f, 0x00, 0x98, 0x8d, 0x01, 0x00, 0xc0, 0xcf, 0x3f, 0x00, 0x98, 0xbd, 0x07, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x3f, 0xfe, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x3f, 0xfe, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/clipscreen.bitmap0000644012664100000130000000323611213220012022033 0ustar arb_buildcoders#define clipscreen_width 64 #define clipscreen_height 32 static char clipscreen_bits[] = { 0x00, 0x50, 0xa1, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa8, 0x50, 0x01, 0x00, 0x00, 0x00, 0x00, 0x40, 0x15, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0xaa, 0xa2, 0xf0, 0x66, 0x8f, 0xe7, 0xfd, 0x40, 0x50, 0x51, 0x31, 0x66, 0xdb, 0x6c, 0x33, 0x20, 0x00, 0x00, 0x30, 0x3c, 0xdb, 0x6c, 0x33, 0xff, 0xff, 0x7f, 0x70, 0x18, 0xcf, 0xec, 0x31, 0x61, 0x00, 0x40, 0x30, 0x3c, 0xc3, 0xec, 0x31, 0x7d, 0x00, 0x40, 0x30, 0x66, 0xc3, 0x6c, 0x33, 0x7d, 0x00, 0x40, 0xf0, 0x66, 0x83, 0x67, 0x33, 0xed, 0xcf, 0x5d, 0x00, 0x00, 0x00, 0x00, 0x00, 0xed, 0xcf, 0x5d, 0x00, 0x00, 0x00, 0x00, 0x00, 0x0d, 0x00, 0x40, 0xe0, 0xdc, 0xf3, 0xde, 0x0c, 0x0d, 0x00, 0x40, 0x30, 0xc6, 0x36, 0xc6, 0x0c, 0xed, 0xf3, 0x41, 0x30, 0xc6, 0x36, 0xc6, 0x0d, 0xed, 0xf3, 0x41, 0x60, 0xc6, 0x73, 0xce, 0x0f, 0x7d, 0x00, 0x40, 0xc0, 0xc6, 0x33, 0xc6, 0x0e, 0x7d, 0x00, 0x40, 0xc0, 0xc6, 0x36, 0xc6, 0x0c, 0x61, 0x00, 0x40, 0x70, 0xdc, 0xf6, 0xde, 0x0c, 0x61, 0x00, 0x40, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0x7f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x00, 0x00, 0xe0, 0x99, 0xd9, 0x0c, 0x00, 0x40, 0x00, 0x00, 0x30, 0x9b, 0xd9, 0x0c, 0x00, 0xa0, 0x8a, 0x2a, 0x30, 0xbb, 0x99, 0x07, 0x00, 0x40, 0x45, 0x15, 0x30, 0xfb, 0x19, 0x03, 0x00, 0x80, 0x00, 0x00, 0x30, 0xdb, 0x19, 0x03, 0x00, 0x40, 0x00, 0x00, 0x30, 0x9b, 0x19, 0x03, 0x00, 0x80, 0x00, 0x00, 0xe0, 0x99, 0x79, 0x03, 0x00, 0x40, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x2a, 0x54, 0x0a, 0x00, 0x00, 0x00, 0x00, 0x40, 0x15, 0x2a, 0x05, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/handles.bitmap0000644012664100000130000000322511213220012021320 0ustar arb_buildcoders#define handles_width 64 #define handles_height 32 static char handles_bits[] = { 0x00, 0x00, 0x0e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf0, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x30, 0x0e, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x31, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x31, 0x07, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xf1, 0x07, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x07, 0xdc, 0xcc, 0x33, 0x0c, 0x00, 0x80, 0x01, 0x00, 0xc6, 0x6c, 0x36, 0x0c, 0x00, 0xfc, 0x01, 0x00, 0xc6, 0x6c, 0x36, 0x0c, 0x00, 0x8c, 0x01, 0x0e, 0xcc, 0x6f, 0x36, 0x0c, 0x00, 0x8c, 0xff, 0x0f, 0xd8, 0x6c, 0xb6, 0x0d, 0x00, 0x0c, 0x00, 0x0e, 0xd8, 0x6c, 0xf6, 0x0f, 0x00, 0x0c, 0x00, 0x00, 0xce, 0xcc, 0x63, 0x06, 0x00, 0x0c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x2d, 0x00, 0x00, 0x66, 0x8c, 0xd9, 0x33, 0x1e, 0x2d, 0xc0, 0x07, 0x66, 0x9e, 0xd9, 0x36, 0x06, 0x2d, 0x40, 0x04, 0x66, 0xb3, 0xdb, 0x36, 0x06, 0x3f, 0xf8, 0x04, 0x7e, 0xb3, 0xdf, 0x36, 0x0e, 0x0c, 0x58, 0x04, 0x66, 0xbf, 0xdd, 0x36, 0x06, 0x0c, 0xd8, 0x07, 0x66, 0xb3, 0xd9, 0x36, 0x06, 0x8c, 0x1f, 0x00, 0x66, 0xb3, 0xd9, 0xf3, 0x1e, 0x8c, 0x99, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x8c, 0xf9, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x81, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xff, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/landscape.bitmap0000644012664100000130000000157211213220012021637 0ustar arb_buildcoders#define landscape_width 32 #define landscape_height 32 static char landscape_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0xff, 0xff, 0x03, 0x00, 0x00, 0xc0, 0x03, 0x00, 0x00, 0xc0, 0x03, 0x00, 0x00, 0xc0, 0x3b, 0x00, 0x00, 0xc0, 0x03, 0x00, 0x00, 0xc0, 0xfb, 0x3b, 0xc7, 0xcd, 0x03, 0x00, 0x00, 0xc0, 0x03, 0x00, 0x00, 0xc0, 0x3b, 0xbf, 0xe7, 0xd7, 0x03, 0x00, 0x00, 0xc0, 0xfb, 0xe7, 0xe6, 0xc6, 0x03, 0x00, 0x00, 0xc0, 0x7b, 0xde, 0x7b, 0xdf, 0x03, 0x00, 0x00, 0xc0, 0x7b, 0xf7, 0xfc, 0xdb, 0x03, 0x00, 0x00, 0xc0, 0x7b, 0xdf, 0x9d, 0xdd, 0x03, 0x00, 0x00, 0xc0, 0x3b, 0xcf, 0xdf, 0xcf, 0x03, 0x00, 0x00, 0xc0, 0x3b, 0x9e, 0xf7, 0xdc, 0x03, 0x00, 0x00, 0xc0, 0xff, 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/nohandles.bitmap0000644012664100000130000000323311213220012021654 0ustar arb_buildcoders#define nohandles_width 64 #define nohandles_height 32 static char nohandles_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf0, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x30, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x31, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x31, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xf1, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x9e, 0x37, 0xe6, 0x99, 0x3d, 0x80, 0x01, 0x00, 0xb6, 0xf1, 0x37, 0x9b, 0x0d, 0xfc, 0x01, 0x00, 0xb6, 0xb1, 0x36, 0x9b, 0x0d, 0x8c, 0x01, 0x00, 0x9e, 0xb3, 0x36, 0x9b, 0x1d, 0x8c, 0xff, 0x03, 0x9e, 0x31, 0x36, 0x9b, 0x0d, 0x0c, 0x00, 0x00, 0xb6, 0x31, 0x36, 0xf3, 0x0c, 0x0c, 0x00, 0x00, 0xb6, 0x37, 0xe6, 0x61, 0x3c, 0x0c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x66, 0x8c, 0xd9, 0x33, 0x1e, 0x0c, 0x00, 0x00, 0x66, 0x9e, 0xd9, 0x36, 0x06, 0x0c, 0x00, 0x00, 0x66, 0xb3, 0xdb, 0x36, 0x06, 0x0c, 0xf8, 0x00, 0x7e, 0xb3, 0xdf, 0x36, 0x0e, 0x0c, 0x18, 0x00, 0x66, 0xbf, 0xdd, 0x36, 0x06, 0x0c, 0x18, 0x00, 0x66, 0xb3, 0xd9, 0x36, 0x06, 0x8c, 0x1f, 0x00, 0x66, 0xb3, 0xd9, 0xf3, 0x1e, 0x8c, 0x19, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x8c, 0xf9, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfc, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xff, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/portrait.bitmap0000644012664100000130000000323011213220012021542 0ustar arb_buildcoders#define portrait_width 64 #define portrait_height 32 static char portrait_bits[] = { 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x3b, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xbb, 0x17, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfb, 0xf7, 0xc6, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xdb, 0xdd, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xbb, 0xef, 0xc3, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7b, 0xee, 0xde, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7b, 0x6f, 0xc7, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xdb, 0xef, 0xc3, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xbb, 0xf7, 0xce, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x3b, 0xef, 0xcd, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7b, 0x3e, 0xcf, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x7b, 0x9e, 0xcf, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/unused/clipScreenStr.bitmap0000644012664100000130000000326011213220012023764 0ustar arb_buildcoders#define clipScreenStr_width 64 #define clipScreenStr_height 32 static unsigned char clipScreenStr_bits[] = { 0x00, 0x50, 0xa1, 0x02, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa8, 0x50, 0x01, 0x00, 0x00, 0x00, 0x00, 0x40, 0x15, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0xaa, 0xa2, 0xf0, 0x66, 0x8f, 0xe7, 0xfd, 0x40, 0x50, 0x51, 0x31, 0x66, 0xdb, 0x6c, 0x33, 0x20, 0x00, 0x00, 0x30, 0x3c, 0xdb, 0x6c, 0x33, 0xff, 0xff, 0x7f, 0x70, 0x18, 0xcf, 0xec, 0x31, 0x61, 0x00, 0x40, 0x30, 0x3c, 0xc3, 0xec, 0x31, 0x7d, 0x00, 0x40, 0x30, 0x66, 0xc3, 0x6c, 0x33, 0x7d, 0x00, 0x40, 0xf0, 0x66, 0x83, 0x67, 0x33, 0xed, 0xcf, 0x5d, 0x00, 0x00, 0x00, 0x00, 0x00, 0xed, 0xcf, 0x5d, 0x00, 0x00, 0x00, 0x00, 0x00, 0x0d, 0x00, 0x40, 0xe0, 0xdc, 0xf3, 0xde, 0x0c, 0x0d, 0x00, 0x40, 0x30, 0xc6, 0x36, 0xc6, 0x0c, 0xed, 0xf3, 0x41, 0x30, 0xc6, 0x36, 0xc6, 0x0d, 0xed, 0xf3, 0x41, 0x60, 0xc6, 0x73, 0xce, 0x0f, 0x7d, 0x00, 0x40, 0xc0, 0xc6, 0x33, 0xc6, 0x0e, 0x7d, 0x00, 0x40, 0xc0, 0xc6, 0x36, 0xc6, 0x0c, 0x61, 0x00, 0x40, 0x70, 0xdc, 0xf6, 0xde, 0x0c, 0x61, 0x00, 0x40, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0x7f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x00, 0x00, 0xe0, 0x99, 0xd9, 0x0c, 0x00, 0x40, 0x00, 0x00, 0x30, 0x9b, 0xd9, 0x0c, 0x00, 0xa0, 0x8a, 0x2a, 0x30, 0xbb, 0x99, 0x07, 0x00, 0x40, 0x45, 0x15, 0x30, 0xfb, 0x19, 0x03, 0x00, 0x80, 0x00, 0x00, 0x30, 0xdb, 0x19, 0x03, 0x00, 0x40, 0x00, 0x00, 0x30, 0x9b, 0x19, 0x03, 0x00, 0x80, 0x00, 0x00, 0xe0, 0x99, 0x79, 0x03, 0x00, 0x40, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0x2a, 0x54, 0x0a, 0x00, 0x00, 0x00, 0x00, 0x40, 0x15, 0x2a, 0x05, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/print/unused/potrait.bitmap0000644012664100000130000000322511213220012022667 0ustar arb_buildcoders#define potrait_width 64 #define potrait_height 32 static char potrait_bits[] = { 0xe0, 0xff, 0xff, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xff, 0xff, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xff, 0xff, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xf0, 0x6f, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xf0, 0x6f, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x30, 0x00, 0xc7, 0x03, 0x00, 0x40, 0x00, 0xe0, 0x30, 0x00, 0x67, 0x0c, 0x00, 0x40, 0x00, 0xe0, 0x3e, 0x00, 0x87, 0x08, 0x00, 0x40, 0x00, 0xe0, 0x3e, 0x00, 0x87, 0x10, 0x00, 0x40, 0x00, 0xe0, 0x36, 0x00, 0x87, 0x10, 0x00, 0xfc, 0x00, 0xe0, 0x36, 0x00, 0xc7, 0x08, 0x00, 0xc0, 0x00, 0xe0, 0xf6, 0x73, 0xc7, 0xee, 0x01, 0x40, 0x00, 0xe0, 0xf6, 0x73, 0xc7, 0x60, 0x02, 0x46, 0x0e, 0xe0, 0x06, 0x00, 0xc7, 0xa0, 0x04, 0x43, 0x6c, 0xe0, 0x06, 0x00, 0xc7, 0x20, 0x08, 0x43, 0x76, 0xe0, 0xc6, 0x7b, 0xc7, 0x10, 0x08, 0x43, 0x72, 0xe0, 0xc6, 0x7b, 0xc7, 0x10, 0x08, 0x41, 0x00, 0xe0, 0xc6, 0x00, 0x87, 0x20, 0x04, 0x01, 0x00, 0xe0, 0xfe, 0x00, 0x07, 0xc0, 0x03, 0x00, 0x00, 0xe0, 0xfe, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xc0, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xc0, 0x77, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xc0, 0x77, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xff, 0xff, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xff, 0xff, 0x07, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xff, 0xff, 0x07, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/probeInfo.bitmap0000644012664100000130000000104411213220012020466 0ustar arb_buildcoders#define probeInfo_width 24 #define probeInfo_height 24 static unsigned char probeInfo_bits[] = { 0x00, 0x20, 0x08, 0x00, 0x30, 0x18, 0x00, 0x4c, 0x14, 0x3e, 0xb3, 0x27, 0xc1, 0x0c, 0x48, 0x80, 0x83, 0x97, 0x80, 0x80, 0x2f, 0x80, 0x00, 0x58, 0x80, 0x06, 0x34, 0x80, 0x36, 0x04, 0xc1, 0xc6, 0x04, 0x3e, 0x0d, 0x05, 0x40, 0x1a, 0x06, 0x80, 0x34, 0x04, 0x00, 0x69, 0x1f, 0x00, 0x42, 0x0e, 0x00, 0x00, 0x04, 0x00, 0x00, 0x00, 0xdc, 0xdd, 0x1d, 0x54, 0x55, 0x05, 0xdc, 0xd5, 0x1d, 0xc4, 0x54, 0x05, 0x44, 0xdd, 0x1d, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/protect.xpm0000644012664100000130000000236711213220012017564 0ustar arb_buildcoders/* XPM */ static char * protect_xpm[] = { "22 22 43 1", " c None", ". c #303030", "+ c #C2C2C2", "@ c #D6D6D6", "# c #E1E1E1", "$ c #F6F6F6", "% c #F0F0F0", "& c #F3F3F3", "* c #F7F7F7", "= c #E0E0E0", "- c #DCDCDC", "; c #EFEFEF", "> c #C0C0C0", ", c #CFCFCF", "' c #F2F2F2", ") c #D8D8D8", "! c #ECECEC", "~ c #D1D1D1", "{ c #DEDEDE", "] c #EBEBEB", "^ c #AEAEAE", "/ c #EEEEEE", "( c #F1F1F1", "_ c #DDDDDD", ": c #FAFAFA", "< c #E5E5E5", "[ c #D2D2D2", "} c #D3D3D3", "| c #D4D4D4", "1 c #EAEAEA", "2 c #FBFBFB", "3 c #BEBEBE", "4 c #CCCCCC", "5 c #F8F8F8", "6 c #BDBDBD", "7 c #FFFFFF", "8 c #CBCBCB", "9 c #C6C6C6", "0 c #F9F9F9", "a c #DFDFDF", "b c #E2E2E2", "c c #E8E8E8", "d c #F5F5F5", " .................. ", " .................... ", "......................", "......................", ".........+@@+.........", "........#$%&*=........", ".......-;>..,').......", ".......!~....{].......", ".......~^....+).......", ".............)).......", "......{/%%('''(_......", "......:<[~[}|)12......", "......$3......45......", "......$6..77..85......", "......*9......[0......", "......:1---{ab;:......", "......cd7*****$c......", "......................", "......................", "......................", " .................... ", " .................. "}; ./arbsrc_9167/lib/pixmaps/pzoom.bitmap0000644012664100000130000000101411213220012017704 0ustar arb_buildcoders#define zoom_width 24 #define zoom_height 24 static char zoom_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x78, 0xff, 0x0f, 0x84, 0x01, 0x48, 0x84, 0xc1, 0xcb, 0x84, 0x41, 0xfe, 0x85, 0xc1, 0xcb, 0x78, 0x01, 0x48, 0x18, 0x01, 0x08, 0x0c, 0x01, 0x08, 0x0c, 0x01, 0x08, 0x06, 0xff, 0x0f, 0x06, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe7, 0x01, 0x00, 0x09, 0x19, 0x93, 0x09, 0xa5, 0xf4, 0x87, 0xa4, 0x94, 0x41, 0xa4, 0x94, 0x21, 0xa4, 0x94, 0xe1, 0x19, 0x93}; ./arbsrc_9167/lib/pixmaps/quit.xpm0000644012664100000130000000101111213220012017047 0ustar arb_buildcoders/* XPM */ static char * quit_xpm[] = { "18 18 5 1", " c None", ". c #FF0000", "+ c #FF3F3F", "@ c #FFFFFF", "# c #FFBFBF", " ................ ", "..................", "..................", ".............+..+.", "....@#......+@.+..", "....#@#....+@@+...", ".....#@#..+@@+....", "......#@#+@@+.....", ".......#@@@+......", ".......+@@#.......", "......+@@#@#......", ".....+@@+.#@#.....", "....+@@+...#@#....", "...+@@+.....#@....", "..+..+.......#....", "..................", "..................", " ................ "}; ./arbsrc_9167/lib/pixmaps/radial.bitmap0000644012664100000130000000103411213220012017776 0ustar arb_buildcoders#define radial_width 24 #define radial_height 24 static unsigned char radial_bits[] = { 0x50, 0x20, 0x00, 0x50, 0x9a, 0x00, 0xca, 0x55, 0x00, 0x4c, 0x3c, 0x00, 0x76, 0x73, 0x00, 0xc5, 0x04, 0x08, 0x58, 0x08, 0x79, 0x60, 0x80, 0x04, 0x10, 0x80, 0x2f, 0x10, 0x40, 0x18, 0x10, 0xc0, 0x47, 0x10, 0x78, 0x38, 0x20, 0x84, 0x23, 0x40, 0x03, 0x7d, 0xc0, 0x00, 0x11, 0x40, 0x00, 0x3e, 0x21, 0x00, 0x10, 0xa2, 0x00, 0x20, 0x5f, 0x00, 0x00, 0x36, 0x03, 0x00, 0xc9, 0x00, 0x00, 0x4c, 0x01, 0x00, 0x2a, 0x00, 0x00, 0x30, 0x00, 0x00 }; ./arbsrc_9167/lib/pixmaps/radial.xpm0000644012664100000130000000246611213220012017340 0ustar arb_buildcoders/* XPM */ static char * radial_xpm[] = { "23 23 44 1", " c None", ". c #F7F7F7", "+ c #F8F8F8", "@ c #FFFFFF", "# c #8A8A8A", "$ c #000000", "% c #FAFAFA", "& c #050505", "* c #6E6E6E", "= c #777777", "- c #6A6A6A", "; c #B1B1B1", "> c #3A3A3A", ", c #3D3D3D", "' c #060606", ") c #F1F1F1", "! c #D1D1D1", "~ c #010101", "{ c #040404", "] c #191919", "^ c #F6F6F6", "/ c #F9F9F9", "( c #AFAFAF", "_ c #030303", ": c #F5F5F5", "< c #909090", "[ c #F4F4F4", "} c #AEAEAE", "| c #353535", "1 c #FBFBFB", "2 c #0B0B0B", "3 c #121212", "4 c #656565", "5 c #F2F2F2", "6 c #D3D3D3", "7 c #494949", "8 c #020202", "9 c #F3F3F3", "0 c #FEFEFE", "a c #CDCDCD", "b c #FCFCFC", "c c #A0A0A0", "d c #474747", "e c #BEBEBE", ".++++++.++@+++++++.++..", "+..+#$++.%$+++.+.++..++", "+..+.$.+..$.&.$$.++..++", "+...*$=+..$.$@$...+..+.", "...++-$+..$;$$@+.++.+++", "+.....$>..$$,$....+.'+.", "+..++..$).$$$..+.+@$!++", "+..+..$@~.{$@....]$^.++", "...+++/$$($_++++$$+.+++", "+..+..++:$$@..:$$++..++", "@$_$<+...+$..@$)...+...", "+.[}~$$$$$$@'$:+.++..++", "+.....++[|$$$.....+..[+", "+......+...$......@$$$.", "+......+...$^..12$$3[+.", "+++......++$${$$45.+...", "+.+.@+...@$6+[7$$$$$$$$", "+..+$$$$&$^.+...@$8:55)", ".+.+@$$$$$9+++++++@$$$0", "+.$$$$$$${:.......++~$$", ".+@@$ab$$$@++++++++.+c$", "+.d$..$$/$e+++...++..++", "+..++.$$+.++++.+.++.+++"}; ./arbsrc_9167/lib/pixmaps/README0000644012664100000130000000006411213220012016226 0ustar arb_buildcoders .xpm and .bitmap files can be edited using xpaint ./arbsrc_9167/lib/pixmaps/rectangle.bitmap0000644012664100000130000000045311213220012020512 0ustar arb_buildcoders#define rectangle_width 16 #define rectangle_height 16 static unsigned char rectangle_bits[] = { 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/redo.bitmap0000644012664100000130000000064711213220012017504 0ustar arb_buildcoders#define redo_width 19 #define redo_height 18 static unsigned char redo_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x80, 0x00, 0xc0, 0xc7, 0x00, 0xf0, 0xef, 0x00, 0xf8, 0xff, 0x00, 0x78, 0xfc, 0x00, 0x3c, 0xf8, 0x00, 0x1c, 0xfc, 0x00, 0x1c, 0xfe, 0x00, 0x1c, 0x00, 0x00, 0x1c, 0x00, 0x00, 0x3c, 0x00, 0x00, 0x78, 0x00, 0x00, 0xf0, 0x0f, 0x00, 0xe0, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00 }; ./arbsrc_9167/lib/pixmaps/refresh_text.xpm0000644012664100000130000000270611213220012020603 0ustar arb_buildcoders/* XPM */ static const unsigned char * refresh_text_xpm[] = { "70 18 5 1", " c None", "! c black", "# c #0066CC", "$ c #99CCFF", "% c white", " ", " ", " ############## ", " ################ ", " ################ ", " ##$##$%%%$###### !!! !! ", " ##%$%%###%$##### !!!!! !! !! ", " ##%%$#####%$#### !! !! !! !! ", " ##%%$########### !! !! !!!! !!! !! ! !!!! !!!! !!!!! ", " ##%%%$########## !! !! !! !! !! !!!! !! !! !! !! !! ", " ##########$%%%## !!!!! !!!!!! !! !! !!!!!! !!!! !! !! ", " ###########$%%## !! !! !! !! !! !! !!!! !! !! ", " ####$%#####$%%## !! !! !! !! !! !! !! !! !! ", " #####$%###%%$%## !! !! !!!!! !! !! !!!!! !!!! !! !! ", " ######$%%%$##$## ", " ################ ", " ############## ", " "}; ./arbsrc_9167/lib/pixmaps/refresh.xpm0000644012664100000130000000077511213220012017543 0ustar arb_buildcoders/* XPM */ static char * refresh_xpm[] = { "18 18 4 1", " c None", ". c #0066CC", "+ c #99CCFF", "@ c #FFFFFF", " ................ ", "..................", "..................", "..................", "....+..+@@@+......", "....@+@@...@+.....", "....@@+.....@+....", "....@@+...........", "....@@@+..........", "............+@@@..", ".............+@@..", "......+@.....+@@..", ".......+@...@@+@..", "........+@@@+..+..", "..................", "..................", "..................", " ................ "}; ./arbsrc_9167/lib/pixmaps/reset.bitmap0000644012664100000130000000101111213220012017657 0ustar arb_buildcoders#define reset_width 24 #define reset_height 24 static char reset_bits[] = { 0xf8, 0xff, 0x00, 0xf8, 0xff, 0x01, 0xf8, 0xff, 0x03, 0xf8, 0xf0, 0x03, 0x78, 0xe0, 0x03, 0xf8, 0xf0, 0x03, 0xf8, 0xff, 0x01, 0xf8, 0xff, 0x00, 0xf8, 0x7f, 0x00, 0xf8, 0x3f, 0x00, 0xf8, 0x7f, 0x00, 0xf8, 0xfd, 0x00, 0xf8, 0xf9, 0x01, 0xf8, 0xf1, 0x03, 0xf8, 0xe1, 0x07, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xcc, 0xd9, 0x1d, 0x54, 0x44, 0x08, 0xcc, 0xc8, 0x08, 0x54, 0x50, 0x08, 0xd4, 0xcd, 0x09,0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/rightleft.bitmap0000644012664100000130000000104211213220012020531 0ustar arb_buildcoders#define rightleft_width 24 #define rightleft_height 24 static unsigned char rightleft_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x00, 0x00, 0x60, 0x00, 0x00, 0x30, 0x00, 0x00, 0x18, 0x00, 0x00, 0x0c, 0x00, 0x00, 0xfe, 0xff, 0x7f, 0xfe, 0xff, 0x7f, 0x0c, 0x00, 0x00, 0x18, 0x00, 0x00, 0x30, 0x00, 0x00, 0x60, 0x00, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, }; ./arbsrc_9167/lib/pixmaps/rightleft_small.bitmap0000644012664100000130000000041211213220012021721 0ustar arb_buildcoders#define rightleft_small_width 12 #define rightleft_small_height 12 static unsigned char rightleft_small_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x08, 0x00, 0x04, 0x00, 0x02, 0x00, 0xfe, 0x0f, 0x04, 0x00, 0x08, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/rot.bitmap0000644012664100000130000000101111213220012017341 0ustar arb_buildcoders#define rot_width 24 #define rot_height 24 static char rot_bits[] = { 0x00, 0x00, 0x06, 0x00, 0x00, 0x06, 0x00, 0x04, 0x06, 0x00, 0x06, 0x3e, 0x00, 0x3f, 0x3f, 0x00, 0xff, 0x03, 0x00, 0xc6, 0x01, 0x00, 0xe4, 0x01, 0x00, 0x70, 0x03, 0x00, 0x38, 0x03, 0x00, 0x1c, 0x03, 0xff, 0xcf, 0x0f, 0xff, 0x87, 0x07, 0xff, 0x0f, 0x03, 0x00, 0x1c, 0x00, 0x00, 0x38, 0x00, 0x00, 0xf0, 0x07, 0x00, 0xe0, 0x07, 0x00, 0x60, 0x00, 0x00, 0x60, 0x00, 0x00, 0x60, 0x00, 0x00, 0x60, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/saveAs.xpm0000644012664100000130000001114611213220012017321 0ustar arb_buildcoders/* XPM */ static char * saveAs_xpm[] = { "18 18 246 2", " c None", ". c #4D5E8E", "+ c #97A1BB", "@ c #98A1BB", "# c #838EAD", "$ c #A6AEC6", "% c #B6BCD0", "& c #B5BCD0", "* c #B4BBCF", "= c #B1B9CD", "- c #AEB5CA", "; c #ABB2C7", "> c #A7AFC6", ", c #A1AAC3", "' c #96A1BC", ") c #62719A", "! c #586791", "~ c #4F608D", "{ c #3A4D82", "] c #546494", "^ c #AEB5CB", "/ c #AFB6CB", "( c #99A2BD", "_ c #D1D5E1", ": c #E9EBF1", "< c #E8EAF0", "[ c #E6E8EE", "} c #E2E4EB", "| c #DEE0E8", "1 c #DADDE5", "2 c #D5D9E4", "3 c #CACFDD", "4 c #7581A4", "5 c #576793", "6 c #4C5D8D", "7 c #384B80", "8 c #536393", "9 c #AAB2C8", "0 c #ADB4CA", "a c #E8EAF1", "b c #E6E9F0", "c c #E4E7EE", "d c #C1C7D6", "e c #A0A9C1", "f c #9DA6BE", "g c #949EB8", "h c #A1A9C2", "i c #6C799E", "j c #4E5E8D", "k c #455788", "l c #394B7D", "m c #526292", "n c #A4ADC5", "o c #A6AEC5", "p c #939DB8", "q c #CFD4DF", "r c #E5E8EF", "s c #E4E7ED", "t c #BEC4D4", "u c #B3BACC", "v c #C0C7D6", "w c #AEB6CA", "x c #A1A9C1", "y c #65749B", "z c #485989", "A c #425383", "B c #37497C", "C c #506291", "D c #9BA6BF", "E c #A0AAC2", "F c #919BB7", "G c #CED3DF", "H c #E6E8EF", "I c #E5E8EE", "J c #E4E6ED", "K c #B9C0D1", "L c #AFB6CA", "M c #ACB3C8", "N c #B3B9CE", "O c #69769C", "P c #455582", "Q c #3F507D", "R c #364879", "S c #4D5D8E", "T c #929DBA", "U c #97A1BD", "V c #7D89AC", "W c #8F99B6", "X c #9EA6BD", "Y c #9CA5BD", "Z c #9AA3BD", "` c #98A2BB", " . c #96A0BB", ".. c #939DBA", "+. c #909AB6", "@. c #8C96B3", "#. c #8490AE", "$. c #55638D", "%. c #41507C", "&. c #3C4C77", "*. c #354677", "=. c #4A5B8D", "-. c #8995B4", ";. c #909AB8", ">. c #8B96B4", ",. c #8590B1", "'. c #8691B2", "). c #848FB0", "!. c #7F8AAC", "~. c #7683A6", "{. c #6B799F", "]. c #606F9A", "^. c #546491", "/. c #4A5A88", "(. c #475682", "_. c #404F7B", ":. c #3D4C77", "<. c #3A4872", "[. c #354575", "}. c #475A8B", "|. c #7C89B0", "1. c #808DB1", "2. c #8390B0", "3. c #8591B1", "4. c #AC9D7C", "5. c #FFB70A", "6. c #C5A14C", "7. c #707EA4", "8. c #63719B", "9. c #536391", "0. c #495A88", "a. c #43537E", "b. c #3E4D79", "c. c #3B4A73", "d. c #394870", "e. c #35436B", "f. c #334373", "g. c #445687", "h. c #6F7CA3", "i. c #7380A7", "j. c #7380A6", "k. c #717FA4", "l. c #9D8F74", "m. c #AD8F4A", "n. c #465788", "o. c #41527F", "p. c #3F4E79", "q. c #3B4972", "r. c #38466C", "s. c #364469", "t. c #324067", "u. c #324272", "v. c #415387", "w. c #64729C", "x. c #64729B", "y. c #6D7AA0", "z. c #6F7DA3", "A. c #6E7CA4", "B. c #A3926B", "C. c #AA9052", "D. c #5C6B91", "E. c #5A688E", "F. c #59668C", "G. c #586589", "H. c #566286", "I. c #455276", "J. c #333F62", "K. c #3D5085", "L. c #566793", "M. c #7986A8", "N. c #CBD0DC", "O. c #E3E6EC", "P. c #E2E5EC", "Q. c #EED28D", "R. c #F9DB94", "S. c #F5F6F8", "T. c #E7E9EE", "U. c #DFE1E7", "V. c #8D95AD", "W. c #374363", "X. c #33426E", "Y. c #3A4D81", "Z. c #4B5C8C", "`. c #7A86A8", " + c #D9DDE5", ".+ c #F4F5F7", "++ c #FAD887", "@+ c #F9DFA0", "#+ c #EFF0F3", "$+ c #939BB1", "%+ c #364262", "&+ c #31416F", "*+ c #394C82", "=+ c #485988", "-+ c #7A86A7", ";+ c #D9DCE5", ">+ c #FAD57B", ",+ c #F8E2AD", "'+ c #949CB2", ")+ c #32426F", "!+ c #3C4F85", "~+ c #485987", "{+ c #7B86A4", "]+ c #D7DAE4", "^+ c #F5F5F7", "/+ c #FBD26E", "(+ c #F8E5B9", "_+ c #495B8A", ":+ c #7480A3", "<+ c #DADEE6", "[+ c #F4F4F6", "}+ c #FBCE62", "|+ c #715B24", "1+ c #303030", "2+ c #CCCCCE", "3+ c #939CB2", "4+ c #31416E", "5+ c #475989", "6+ c #667499", "7+ c #6E6F6F", "8+ c #CBCBCC", "9+ c #48598A", "0+ c #69779E", "a+ c #EEEFF2", "b+ c #EDEEF1", "c+ c #EAECEF", "d+ c #E8EAED", "e+ c #E9EBEE", "f+ c #F0F2F4", "g+ c #929BB2", "h+ c #314270", "i+ c #3A4D84", "j+ c #3F5287", "k+ c #495B8D", "l+ c #5C6B96", "m+ c #667395", "n+ c #6C7797", "o+ c #687292", "p+ c #626D8D", "q+ c #616C8C", "r+ c #606B8D", "s+ c #606C8C", "t+ c #5F6B8B", "u+ c #47557C", "v+ c #334066", "w+ c #36477C", ". + @ # $ % & * = - ; > , ' ) ! ~ { ", "] ^ / ( _ : : < [ } | 1 2 3 4 5 6 7 ", "8 9 0 + _ : a b c d e f g h i j k l ", "m n o p q < b r s t u v w x y z A B ", "C D E F G H I J } _ K L M N O P Q R ", "S T U V W X Y Z ` ...+.@.#.$.%.&.*.", "=.-.;.>.,.'.).!.~.{.].^./.(._.:.<.[.", "}.|.1.2.3.4.5.6.7.8.9.0.a.b.c.d.e.f.", "g.h.i.j.k.l.5.5.m.. n.o.p.q.r.s.t.u.", "v.w.x.y.z.A.B.5.5.C.D.E.F.G.H.I.J.u.", "K.L.M.N.O.O.P.Q.5.5.R.S.S.T.U.V.W.X.", "Y.Z.`. +.+S.S.S.++5.5.@+S..+#+$+%+&+", "*+=+-+;+.+S.S.S..+>+5.5.,+S.S.'+%+)+", "!+~+{+]+S..+.+^+.+S./+5.5.(+S.'+%+&+", "K._+:+<+S..+[+[+.+S.S.}+|+1+2+3+%+4+", "K.5+6+1 [+[+[+[+[+[+^+S.7+1+8+'+%+&+", "K.9+0+;+a+a+b+c+d+e+f+S.S..+[+g+%+h+", "i+j+k+l+m+n+o+p+q+q+r+s+p+q+t+u+v+w+"}; ./arbsrc_9167/lib/pixmaps/save.xpm0000644012664100000130000001072411213220012017036 0ustar arb_buildcoders/* XPM */ static char * save_xpm[] = { "18 18 237 2", " c None", ". c #4D5E8E", "+ c #97A1BB", "@ c #98A1BB", "# c #838EAD", "$ c #A6AEC6", "% c #B6BCD0", "& c #B5BCD0", "* c #B4BBCF", "= c #B1B9CD", "- c #AEB5CA", "; c #ABB2C7", "> c #A7AFC6", ", c #A1AAC3", "' c #96A1BC", ") c #62719A", "! c #586791", "~ c #4F608D", "{ c #3A4D82", "] c #546494", "^ c #AEB5CB", "/ c #AFB6CB", "( c #99A2BD", "_ c #D1D5E1", ": c #E9EBF1", "< c #E8EAF0", "[ c #E6E8EE", "} c #E2E4EB", "| c #DEE0E8", "1 c #DADDE5", "2 c #D5D9E4", "3 c #CACFDD", "4 c #7581A4", "5 c #576793", "6 c #4C5D8D", "7 c #384B80", "8 c #536393", "9 c #AAB2C8", "0 c #ADB4CA", "a c #E8EAF1", "b c #E6E9F0", "c c #E4E7EE", "d c #C1C7D6", "e c #A0A9C1", "f c #9DA6BE", "g c #949EB8", "h c #A1A9C2", "i c #6C799E", "j c #4E5E8D", "k c #455788", "l c #394B7D", "m c #526292", "n c #A4ADC5", "o c #A6AEC5", "p c #939DB8", "q c #CFD4DF", "r c #E5E8EF", "s c #E4E7ED", "t c #BEC4D4", "u c #B3BACC", "v c #C0C7D6", "w c #AEB6CA", "x c #A1A9C1", "y c #65749B", "z c #485989", "A c #425383", "B c #37497C", "C c #506291", "D c #9BA6BF", "E c #A0AAC2", "F c #919BB7", "G c #CED3DF", "H c #E6E8EF", "I c #E5E8EE", "J c #E4E6ED", "K c #B9C0D1", "L c #AFB6CA", "M c #ACB3C8", "N c #B3B9CE", "O c #69769C", "P c #455582", "Q c #3F507D", "R c #364879", "S c #4D5D8E", "T c #929DBA", "U c #97A1BD", "V c #7D89AC", "W c #8F99B6", "X c #9EA6BD", "Y c #9CA5BD", "Z c #9AA3BD", "` c #98A2BB", " . c #96A0BB", ".. c #939DBA", "+. c #909AB6", "@. c #8C96B3", "#. c #8490AE", "$. c #55638D", "%. c #41507C", "&. c #3C4C77", "*. c #354677", "=. c #4A5B8D", "-. c #8995B4", ";. c #909AB8", ">. c #8B96B4", ",. c #8590B1", "'. c #8691B2", "). c #848FB0", "!. c #7F8AAC", "~. c #7683A6", "{. c #6B799F", "]. c #606F9A", "^. c #546491", "/. c #4A5A88", "(. c #475682", "_. c #404F7B", ":. c #3D4C77", "<. c #3A4872", "[. c #354575", "}. c #475A8B", "|. c #7C89B0", "1. c #808DB1", "2. c #8390B0", "3. c #8591B1", "4. c #8490B0", "5. c #7F8CAD", "6. c #7986A9", "7. c #707EA4", "8. c #63719B", "9. c #536391", "0. c #495A88", "a. c #43537E", "b. c #3E4D79", "c. c #3B4A73", "d. c #394870", "e. c #35436B", "f. c #334373", "g. c #445687", "h. c #6F7CA3", "i. c #7380A7", "j. c #7380A6", "k. c #717FA4", "l. c #6F7CA4", "m. c #6B79A0", "n. c #64739B", "o. c #586895", "p. c #465788", "q. c #41527F", "r. c #3F4E79", "s. c #3B4972", "t. c #38466C", "u. c #364469", "v. c #324067", "w. c #324272", "x. c #415387", "y. c #64729C", "z. c #64729B", "A. c #6D7AA0", "B. c #6F7DA3", "C. c #6D7BA3", "D. c #69789F", "E. c #64739C", "F. c #606F99", "G. c #5D6C95", "H. c #5C6B91", "I. c #5A688E", "J. c #59668C", "K. c #586589", "L. c #566286", "M. c #455276", "N. c #333F62", "O. c #3D5085", "P. c #566793", "Q. c #7986A8", "R. c #CBD0DC", "S. c #E3E6EC", "T. c #E2E5EC", "U. c #E3E5EB", "V. c #E2E5EB", "W. c #E2E4EA", "X. c #DFE1E7", "Y. c #8D95AD", "Z. c #374363", "`. c #33426E", " + c #3A4D81", ".+ c #4B5C8C", "++ c #7A86A8", "@+ c #D9DDE5", "#+ c #F4F5F7", "$+ c #F5F6F8", "%+ c #F4F4F6", "&+ c #EFF0F3", "*+ c #939BB1", "=+ c #364262", "-+ c #31416F", ";+ c #394C82", ">+ c #485988", ",+ c #7A86A7", "'+ c #D9DCE5", ")+ c #32426F", "!+ c #3C4F85", "~+ c #485987", "{+ c #7B86A4", "]+ c #D7DAE4", "^+ c #495B8A", "/+ c #7480A3", "(+ c #DADEE6", "_+ c #929BB1", ":+ c #31416E", "<+ c #475989", "[+ c #667499", "}+ c #48598A", "|+ c #69779E", "1+ c #EEEFF2", "2+ c #EDEEF1", "3+ c #EAECEF", "4+ c #E8EAED", "5+ c #E9EBEE", "6+ c #EAECEE", "7+ c #E4E7EC", "8+ c #9099B0", "9+ c #314270", "0+ c #3A4D84", "a+ c #3F5287", "b+ c #495B8D", "c+ c #5C6B96", "d+ c #667395", "e+ c #6C7797", "f+ c #687292", "g+ c #626D8D", "h+ c #616C8C", "i+ c #606B8D", "j+ c #606C8C", "k+ c #5F6B8B", "l+ c #47557C", "m+ c #334066", "n+ c #36477C", ". + @ # $ % & * = - ; > , ' ) ! ~ { ", "] ^ / ( _ : : < [ } | 1 2 3 4 5 6 7 ", "8 9 0 + _ : a b c d e f g h i j k l ", "m n o p q < b r s t u v w x y z A B ", "C D E F G H I J } _ K L M N O P Q R ", "S T U V W X Y Z ` ...+.@.#.$.%.&.*.", "=.-.;.>.,.'.).!.~.{.].^./.(._.:.<.[.", "}.|.1.2.3.4.5.6.7.8.9.0.a.b.c.d.e.f.", "g.h.i.j.k.l.m.n.o.. p.q.r.s.t.u.v.w.", "x.y.z.A.B.C.D.E.F.G.H.I.J.K.L.M.N.w.", "O.P.Q.R.S.S.T.T.T.U.U.U.V.W.X.Y.Z.`.", " +.+++@+#+$+$+$+$+#+%+%+%+%+&+*+=+-+", ";+>+,+'+#+$+$+$+#+%+%+%+%+%+&+*+=+)+", "!+~+{+]+$+#+#+#+%+%+%+%+%+%+&+*+=+-+", "O.^+/+(+$+#+%+%+%+%+%+%+%+%+&+_+=+:+", "O.<+[+1 %+%+%+%+%+%+%+%+%+%+&+*+=+-+", "O.}+|+'+1+1+2+3+4+5+6+4+4+6+7+8+=+9+", "0+a+b+c+d+e+f+g+h+h+i+j+g+h+k+l+m+n+"}; ./arbsrc_9167/lib/pixmaps/sec_modify.bitmap0000644012664100000130000000103611213220012020665 0ustar arb_buildcoders#define sec_modify_width 24 #define sec_modify_height 24 static char sec_modify_bits[] = { 0x00, 0x00, 0x00, 0x03, 0x00, 0x00, 0x0f, 0x00, 0x6c, 0x1c, 0x00, 0x6c, 0x30, 0x00, 0x6c, 0x60, 0x00, 0x6c, 0x60, 0x44, 0x6c, 0x60, 0xc6, 0x6c, 0x60, 0xff, 0x6d, 0x60, 0xc6, 0x6c, 0x60, 0x44, 0x6c, 0x60, 0x00, 0x6c, 0x30, 0x00, 0x6c, 0x1c, 0x00, 0x6c, 0x0f, 0x00, 0x6c, 0x03, 0x00, 0x00, 0x00, 0x00, 0x00, 0x24, 0x10, 0x00, 0x24, 0x93, 0x00, 0xbc, 0x14, 0x12, 0xa4, 0x97, 0x0c, 0xa4, 0x90, 0x0c, 0x24, 0xb7, 0x12, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/sec_setcurs.bitmap0000644012664100000130000000104111213220012021062 0ustar arb_buildcoders#define sec_setcurs_width 24 #define sec_setcurs_height 24 static char sec_setcurs_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xf8, 0x00, 0x00, 0x04, 0x00, 0x01, 0x04, 0x9c, 0x07, 0x04, 0x22, 0x01, 0x78, 0x22, 0x01, 0x80, 0x1e, 0x01, 0x80, 0x02, 0x01, 0x80, 0x02, 0x01, 0x7c, 0x3c, 0x06, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x78, 0x00, 0x00, 0x04, 0x00, 0x00, 0x04, 0x00, 0x00, 0x04, 0xa9, 0x39, 0x04, 0x29, 0x04, 0x04, 0x29, 0x18, 0x78, 0x2e, 0x20, 0x00, 0x00, 0x1c, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/select.bitmap0000644012664100000130000000103311213220012020020 0ustar arb_buildcoders#define select_width 24 #define select_height 24 static unsigned char select_bits[] = { 0x00, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x7c, 0x00, 0x00, 0xf8, 0x03, 0x00, 0xf8, 0x1f, 0x00, 0xf8, 0x7f, 0x00, 0xf0, 0xff, 0x00, 0xf0, 0xff, 0x00, 0xf0, 0x0f, 0x00, 0xe0, 0x1f, 0x00, 0xe0, 0x3f, 0x00, 0xe0, 0x79, 0x00, 0xc0, 0xf1, 0x00, 0xc0, 0xe1, 0x01, 0x80, 0xc1, 0x03, 0x00, 0x80, 0x07, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0xe0, 0xbd, 0x00, 0x20, 0x84, 0x00, 0xe0, 0x9d, 0x00, 0x00, 0x85, 0x00, 0xe0, 0xbd, 0x07, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/setroot.bitmap0000644012664100000130000000102511213220012020241 0ustar arb_buildcoders#define setroot_width 24 #define setroot_height 24 static char setroot_bits[] = { 0x00, 0x30, 0x00, 0x00, 0x38, 0x00, 0x00, 0x1c, 0x00, 0xe0, 0x3f, 0x00, 0x20, 0x27, 0x00, 0xa0, 0x23, 0x00, 0xff, 0x23, 0x00, 0xff, 0x23, 0x00, 0x20, 0x27, 0x00, 0xe0, 0x3f, 0x00, 0x00, 0x1c, 0x00, 0x00, 0xf8, 0x07, 0x00, 0xf0, 0x07, 0x00, 0x30, 0x00, 0x00, 0x30, 0x00, 0x00, 0x30, 0x00, 0x00, 0x00, 0x00, 0x0e, 0x47, 0xe4, 0x03, 0xa9, 0x4a, 0x03, 0xa9, 0x4a, 0x06, 0xa7, 0x4a, 0x0c, 0xa5, 0x4a, 0x6c, 0xa9, 0x4a, 0x67, 0x49, 0x44}; ./arbsrc_9167/lib/pixmaps/spread.bitmap0000644012664100000130000000102211213220012020015 0ustar arb_buildcoders#define spread_width 24 #define spread_height 24 static char spread_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x00, 0x00, 0xe0, 0x00, 0x00, 0x70, 0x00, 0x00, 0x38, 0x00, 0x00, 0x1c, 0x30, 0x00, 0x3e, 0x30, 0x00, 0x67, 0xfc, 0xff, 0x63, 0xfc, 0xff, 0x63, 0x30, 0xff, 0x67, 0x30, 0x00, 0x3e, 0x00, 0x00, 0x1c, 0xfc, 0x00, 0x38, 0xfc, 0x00, 0x70, 0x00, 0x00, 0xe0, 0x00, 0x00, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/star.bitmap0000644012664100000130000000043411213220012017516 0ustar arb_buildcoders#define star_width 16 #define star_height 16 static unsigned char star_bits[] = { 0x80, 0x00, 0xc0, 0x01, 0xc0, 0x01, 0xe0, 0x03, 0xe0, 0x03, 0xff, 0xff, 0xff, 0xff, 0xfe, 0x7f, 0xf8, 0x1f, 0xf8, 0x1f, 0xfc, 0x3f, 0xfc, 0x3f, 0x7e, 0x3e, 0x1e, 0x78, 0x0f, 0x70, 0x03, 0xc0}; ./arbsrc_9167/lib/pixmaps/stretch.bitmap0000644012664100000130000000103611213220012020220 0ustar arb_buildcoders#define stretch_width 24 #define stretch_height 24 static unsigned char stretch_bits[] = { 0x00, 0x00, 0x00, 0xc0, 0x01, 0x1f, 0x20, 0x92, 0x20, 0x20, 0x7e, 0x40, 0x30, 0x52, 0x40, 0xe8, 0x41, 0x40, 0x14, 0x40, 0x40, 0x0b, 0x60, 0x40, 0xa6, 0x90, 0x20, 0xc2, 0x88, 0x1f, 0xe2, 0x44, 0x00, 0x01, 0x22, 0x00, 0x00, 0x11, 0x00, 0x80, 0x08, 0x00, 0x40, 0x04, 0x00, 0x20, 0x02, 0x00, 0x10, 0x01, 0x00, 0x88, 0x00, 0x00, 0x44, 0x00, 0x00, 0x27, 0x00, 0x00, 0x18, 0x00, 0x00, 0x10, 0x00, 0x00, 0x10, 0x00, 0x00, 0x10, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/swap.bitmap0000644012664100000130000000101411213220012017512 0ustar arb_buildcoders#define swap_width 24 #define swap_height 24 static char swap_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x78, 0x00, 0x00, 0x3c, 0x0c, 0x00, 0x1e, 0x1c, 0x00, 0xef, 0x39, 0x80, 0xe7, 0x30, 0xc0, 0xe3, 0x71, 0xe0, 0xa1, 0x61, 0xfe, 0x80, 0x61, 0xfe, 0x80, 0x61, 0xfe, 0x81, 0x71, 0xc0, 0xc3, 0x30, 0x80, 0xc7, 0x3a, 0x00, 0x7f, 0x1e, 0x00, 0x1e, 0x0e, 0x00, 0x3c, 0x1e, 0x00, 0x38, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/uncheck.xpm0000644012664100000130000000102411213220012017511 0ustar arb_buildcoders/* XPM */ static char *uncheck[]={ "18 18 6 1", ". c None", "b c #4c4c4c", "a c #545454", "# c #575757", "d c #676767", "c c #ffffff", ".#aaaaaaaaaaaaaa#.", "#aaaaaaaaaaaaaaaa#", "aaaaaaaaaaaaaaaaaa", "aaaaaaaaaaaaaaaaaa", "aaaabbbaaaabbbaaaa", "aaaabccbaabccbaaaa", "aaaabbccbbccbbaaaa", "aaaaabbcbbcbdaaaaa", "aaaaaabbccbdaaaaaa", "aaaaaabbccbbaaaaaa", "aaaaabbcbbcbbaaaaa", "aaaabbccdbccbbaaaa", "aaaabccdaabccbaaaa", "aaaabbbaaaabbbaaaa", "aaaaaaaaaaaaaaaaaa", "aaaaaaaaaaaaaaaaaa", "#aaaaaaaaaaaaaaaa#", ".#aaaaaaaaaaaaaa#."}; ./arbsrc_9167/lib/pixmaps/undo.bitmap0000644012664100000130000000064711213220012017520 0ustar arb_buildcoders#define undo_width 19 #define undo_height 18 static unsigned char undo_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x08, 0x00, 0x00, 0x18, 0x1f, 0x00, 0xb8, 0x7f, 0x00, 0xf8, 0xff, 0x00, 0xf8, 0xf1, 0x00, 0xf8, 0xe0, 0x01, 0xf8, 0xc1, 0x01, 0xf8, 0xc3, 0x01, 0x00, 0xc0, 0x01, 0x00, 0xc0, 0x01, 0x00, 0xe0, 0x01, 0x00, 0xf0, 0x00, 0x80, 0x7f, 0x00, 0x80, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00 }; ./arbsrc_9167/lib/pixmaps/unmask.xpm0000644012664100000130000000115611213220012017375 0ustar arb_buildcoders/* XPM */ static const unsigned char * unmask_xpm[] = { "19 19 8 1", " c None", "! c black", "# c #545454", "$ c #FF0000", "% c #00FF00", "& c #FFFF00", "' c #0000FF", "( c #808080", " ################# ", "###################", "##########$#####%##", "##%%######$&&&&&%##", "##%%%%#####$####%##", "###%%%%####$&&&%###", "####%%%%%##$'##%###", "######%%%%##$#%####", "########%%%%$%#####", "#########%%%%%#####", "##########%%%%%####", "######((((###%%%%##", "####(((###((#(%%%%#", "###(###(####((##%%#", "##(#(###((###(#####", "##(##(####(#(######", "##(###(###((#######", "#######(#(#########", " #######(######### "};./arbsrc_9167/lib/pixmaps/unused/arb_edit.bitmap0000644012664100000130000000464711213220012021633 0ustar arb_buildcoders#define arb_width 64 #define arb_height 48 static char arb_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xfd, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xbf, 0x05, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x02, 0x70, 0x3c, 0x00, 0xa0, 0x05, 0x00, 0x00, 0x03, 0x7c, 0xfc, 0x00, 0xa0, 0x05, 0x00, 0x80, 0x03, 0x7e, 0xfc, 0x07, 0xa0, 0x05, 0x00, 0xc0, 0x03, 0x7f, 0xfc, 0x0f, 0xa0, 0x05, 0x00, 0xe0, 0x83, 0x7f, 0xfc, 0x1f, 0xa0, 0x05, 0x00, 0xf0, 0xc3, 0x7f, 0xfc, 0x3f, 0xa0, 0x05, 0x00, 0xf8, 0xc3, 0x7f, 0xfc, 0x3f, 0xa0, 0x05, 0x00, 0xfc, 0xe3, 0x1f, 0x00, 0x7f, 0xa0, 0x05, 0x00, 0xfe, 0xe3, 0x0f, 0x00, 0x7c, 0xa0, 0x05, 0x00, 0xff, 0xf3, 0x07, 0x00, 0x7c, 0xa0, 0x05, 0x80, 0xff, 0xf3, 0x03, 0x00, 0x7c, 0xa0, 0x05, 0xc0, 0xdf, 0xf3, 0x01, 0x00, 0x7c, 0xa0, 0x05, 0xe0, 0xcf, 0xf3, 0x01, 0x00, 0x7e, 0xa0, 0x05, 0xf0, 0xc7, 0xfb, 0x01, 0x80, 0x3f, 0xa0, 0x05, 0xf8, 0xc3, 0xfb, 0x01, 0xff, 0x3f, 0xa0, 0x05, 0xfc, 0xc1, 0xfb, 0x01, 0xff, 0x1f, 0xa0, 0x05, 0xfe, 0xc0, 0xfb, 0x01, 0xff, 0x0f, 0xa0, 0x05, 0x7f, 0xc0, 0xfb, 0x01, 0xff, 0x07, 0xa0, 0x05, 0x3f, 0xc0, 0xfb, 0x01, 0xff, 0x03, 0xa0, 0x05, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xa0, 0xfd, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xbf, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x80, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x01, 0x00, 0x04, 0x00, 0x08, 0x00, 0x00, 0x00, 0x01, 0x00, 0x04, 0x00, 0x08, 0x00, 0x00, 0x04, 0x01, 0x10, 0x04, 0x20, 0x08, 0x00, 0x00, 0x66, 0x07, 0x98, 0x1d, 0x30, 0x3b, 0x00, 0x00, 0x15, 0x08, 0x54, 0x20, 0xa8, 0x40, 0x00, 0x80, 0x14, 0x08, 0x52, 0x20, 0xa4, 0x40, 0x00, 0x40, 0x14, 0x07, 0x51, 0x1c, 0xa2, 0x38, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/arrow.bitmap0000644012664100000130000000126611213220012021206 0ustar arb_buildcodersP7 332 #XVVERSION:Version 3.10a Rev: 12/29/94 #IMGINFO:24x24 X11 bitmap file (534 bytes) #END_OF_COMMENTS 24 24 255 ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ¶’¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿmIm’¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ¶IIm’¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿmIm’¶ÿÿÿÿÿÿÿÿÿÿÿÿÿnIm¶ÿÿÿÿÿÿÿÿÿÿÿ¶II¶ÿÿÿÿÿÿÿÿÿÿÿmnÿÿÿÿÿÿÿÿÿÿÿ’Im’m¶ÿÿÿÿÿÿÿÿÿÿÿ¶II¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿmI¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿ’ImII¶ÿÿÿÿÿÿÿÿÿÿÿÿÿ¶Imÿ¶II¶ÿÿÿÿÿÿÿÿÿÿÿÿÿm’ÿÿ¶II¶ÿÿÿÿÿÿÿÿÿÿÿÿ¶Imÿÿÿ¶II¶ÿÿÿÿÿÿÿÿÿÿÿÿ¶’¶ÿÿÿÿ¶II¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ¶Inÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ¶n‘¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ./arbsrc_9167/lib/pixmaps/unused/Close.xpm0000644012664100000130000000064011213220012020444 0ustar arb_buildcoders/* XPM */ static char * Close_xpm[] = { "16 16 3 1", " c None", ". c #EA0606", "+ c #FFFFFF", " ...... ", " .......... ", " .+.......+.. ", " .+++.....+++. ", " .++++...++++.. ", "...++++.++++....", "....+++++++.....", ".....+++++......", "....+++++++.....", "...++++.++++....", "..++++...++++...", " .+++.....+++.. ", " ..+.......+... ", " ............ ", " ........ ", " ...... "}; ./arbsrc_9167/lib/pixmaps/unused/compress.bitmap0000644012664100000130000000100711213220012021700 0ustar arb_buildcoders#define move_width 24 #define move_height 24 static char move_bits[] = { 0x18, 0x00, 0x00, 0xf8, 0xff, 0x01, 0xf0, 0xff, 0x01, 0x80, 0x20, 0x00, 0x80, 0x20, 0x00, 0xc0, 0x7f, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x7f, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x7f, 0x00, 0x00, 0x1b, 0x00, 0x00, 0x1b, 0x00, 0x00, 0x1b, 0x06, 0x00, 0x1b, 0x07, 0xf0, 0xff, 0x03, 0xf0, 0xff, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/cppast.bitmap0000644012664100000130000000101411213220012021335 0ustar arb_buildcoders#define move_width 24 #define move_height 24 static char move_bits[] = { 0x80, 0x01, 0x0e, 0xc0, 0x03, 0x07, 0x60, 0x86, 0x03, 0x60, 0xc6, 0x01, 0xc0, 0xef, 0x00, 0x00, 0x7e, 0x00, 0x80, 0x7f, 0x00, 0xc0, 0xef, 0x00, 0x60, 0xc6, 0x01, 0x60, 0x86, 0x03, 0xc0, 0x03, 0x07, 0x80, 0x01, 0x0e, 0x00, 0x00, 0x00, 0x56, 0x87, 0x00, 0x51, 0x82, 0x00, 0x51, 0xe2, 0x03, 0x51, 0x82, 0x00, 0x26, 0x82, 0x00, 0x00, 0x00, 0x00, 0x60, 0xe4, 0xee, 0xa0, 0x2a, 0x24, 0x60, 0xee, 0x64, 0x20, 0x8a, 0x24, 0x20, 0xea, 0xe4}; ./arbsrc_9167/lib/pixmaps/unused/dendro.bitmap0000644012664100000130000000103411213220012021320 0ustar arb_buildcoders#define dendro_width 24 #define dendro_height 24 static unsigned char dendro_bits[] = { 0x00, 0xfe, 0x3f, 0x00, 0x02, 0x00, 0x00, 0xc2, 0x07, 0x00, 0xfe, 0x1f, 0x00, 0xc2, 0x7f, 0xe0, 0x03, 0x00, 0x20, 0x02, 0x00, 0x20, 0xc2, 0x03, 0x20, 0xfe, 0x1f, 0x3e, 0xc0, 0x7f, 0x22, 0x00, 0x00, 0x22, 0xfc, 0x7f, 0xe3, 0x07, 0x00, 0x02, 0xc4, 0x7f, 0x02, 0xc4, 0x1f, 0x02, 0xfc, 0x07, 0xe2, 0x00, 0x00, 0x22, 0xf0, 0x7f, 0x3e, 0x10, 0x00, 0x20, 0x1f, 0x00, 0x20, 0x91, 0x7f, 0x20, 0xf1, 0x1f, 0xe0, 0x81, 0x07, 0x00, 0x01, 0x00 }; ./arbsrc_9167/lib/pixmaps/unused/dendroIrs.bitmap0000644012664100000130000000104511213220012022000 0ustar arb_buildcoders#define dendroIrs_width 24 #define dendroIrs_height 24 static unsigned char dendroIrs_bits[] = { 0x00, 0x00, 0x00, 0xe0, 0xff, 0x3f, 0x20, 0x00, 0x00, 0xa0, 0x07, 0x00, 0xbe, 0xe7, 0x3f, 0xa2, 0x27, 0x00, 0xa2, 0xa7, 0x07, 0x22, 0xa0, 0x07, 0xe2, 0xbf, 0x07, 0x02, 0xa0, 0x07, 0x03, 0x20, 0x00, 0x02, 0xe0, 0x3f, 0x02, 0x00, 0x00, 0xe2, 0xff, 0x3f, 0x22, 0x00, 0x00, 0xa2, 0x07, 0x00, 0xbe, 0x87, 0x3f, 0xa0, 0x87, 0x00, 0xa0, 0x87, 0x1e, 0x20, 0x80, 0x1e, 0xe0, 0xff, 0x00, 0x20, 0x80, 0x3f, 0xa0, 0x87, 0x00, 0xa0, 0x87, 0x0e }; ./arbsrc_9167/lib/pixmaps/unused/disk.bitmap0000644012664100000130000000102511213220012020777 0ustar arb_buildcoders#define disk_width 24 #define disk_height 24 static unsigned char disk_bits[] = { 0x00, 0x00, 0x00, 0xfe, 0xff, 0x7f, 0xfa, 0xff, 0x5f, 0x1a, 0x00, 0x58, 0xfa, 0xff, 0x5f, 0x1a, 0x00, 0x58, 0xfa, 0xff, 0x5f, 0x1a, 0x00, 0x58, 0xfa, 0xff, 0x5f, 0x1a, 0x00, 0x58, 0xfa, 0xff, 0x5f, 0xfa, 0xff, 0x5f, 0x02, 0x00, 0x40, 0x02, 0x00, 0x40, 0xe2, 0xff, 0x47, 0x62, 0xfc, 0x47, 0x62, 0xfc, 0x47, 0x62, 0xfc, 0x47, 0x62, 0xfc, 0x47, 0x62, 0xfc, 0x47, 0x62, 0xfc, 0x47, 0x62, 0xfc, 0x47, 0xfe, 0xff, 0x7f, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/edit.bitmap0000644012664100000130000000045211213220012020775 0ustar arb_buildcoders#define edit_width 28 #define edit_height 9 static char edit_bits[] = { 0xcf, 0xff, 0xff, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xcf, 0xff, 0xff, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xcf, 0xff, 0xff, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xcf, 0xff, 0xff, 0x0f, 0x00, 0x00, 0x00, 0x00, 0xcf, 0xff, 0xff, 0x0f}; ./arbsrc_9167/lib/pixmaps/unused/exit.xpm0000644012664100000130000001414711213220012020357 0ustar arb_buildcoders/* XPM */ static char *exit[]={ "20 20 333 2", "Qt c None", "d# c None", ".o c None", ".# c #757575", ".n c #808080", ".G c #825853", "cZ c #856460", "dk c #8a615d", ".m c #564240", ".F c #854b45", "da c #864b45", ".a c #5b403d", ".p c #80362e", "cL c #7b2219", ".l c #832f25", ".Z c #7c2116", ".b c #832c22", "cs c #822216", "#g c #822317", ".k c #86281c", ".c c #862a1d", "cb c #81271a", "bG c #82281b", "aW c #83291c", "#A c #832a1d", "#R c #832a1e", ".i c #852e21", ".h c #862e22", ".g c #862f22", ".d c #862f23", ".f c #863023", ".e c #863024", ".j c #842c1f", "dj c #802116", "d. c #812216", ".Y c #812015", "db c #802015", ".E c #852014", "c0 c #862114", ".H c #892315", ".q c #892316", "di c #831d11", "cY c #831e10", "dc c #852013", "#f c #862013", ".D c #912818", "cM c #922818", ".0 c #932d1d", ".r c #932d1e", "c9 c #992312", ".X c #a02c1b", "cK c #862012", "dh c #862012", "#z c #882617", "dd c #882616", "ct c #92311f", ".I c #a73625", ".C c #92311f", "#h c #943627", ".s c #943626", "#Q c #862918", "cr c #842213", "ca c #852313", "bW c #852413", "bF c #862414", "bp c #862515", "bb c #862516", "df c #862616", "aV c #862716", "aE c #872717", "am c #872817", "#8 c #872818", "dg c #842212", "de c #862918", "#B c #943c2b", "cc c #913725", ".A c #923826", ".z c #923927", "bq c #933928", ".y c #933a28", ".x c #933a29", ".v c #933b2a", ".u c #933b2b", ".w c #943b2a", ".B c #913724", ".t c #943c2c", ".3 c #ba5d39", ".4 c #ba5f3a", ".5 c #bb603a", "#j c #bd613f", ".2 c #bd623f", ".6 c #bd6640", "ao c #bf6843", "#. c #c06f48", "## c #c07049", ".7 c #c16d4a", "cW c #c17052", "bH c #c17149", "aG c #c2704d", ".9 c #c2724d", "#a c #c2744d", "br c #c3734c", "bc c #c37651", "#b c #c37750", ".8 c #c47350", "aY c #c47451", "#d c #c47f59", ".1 c #c57c5d", "cv c #c67d55", "#c c #c67d56", "cN c #c68059", "#O c #c6805a", "#x c #c68159", "#6 c #c7845d", "cO c #c7855f", "ak c #c7865f", "aC c #c88862", "cP c #c98963", ".V c #ca7653", "aT c #cb8e68", "cQ c #cc8e6a", "b# c #cd916d", ".U c #ce7f5a", ".K c #ce7f63", "cR c #ce9370", "bn c #ce9472", "bD c #cf9775", "cS c #d09574", "cT c #d09775", "bU c #d09978", "cU c #d09979", "cI c #d19a7e", "cV c #d29b7e", "c. c #d29d7e", "cp c #d39f82", "c7 c #bf5537", "cJ c #c05437", ".W c #c15438", "cd c #c4764f", "#v c #c47650", ".J c #c7624b", "cq c #c76847", "#y c #c86f4c", "c# c #c96c4b", "c6 c #c96d4b", "c5 c #c96e4c", "bV c #c96f4c", "bE c #ca6f4d", "bo c #ca704c", "c4 c #ca714d", "cu c #ca7652", "ba c #cb714d", "c3 c #cb724d", "c2 c #cb734d", "aU c #cb734e", "aD c #cb744e", "al c #cb754f", "c1 c #cc7650", "#7 c #cc7651", "#P c #cc7751", "aX c #ce7d5b", ".T c #ce7e5a", ".Q c #ce7e5b", "aF c #ce7e5c", "#S c #ce7e5f", "bX c #ce7f5a", ".P c #cf7e5d", "an c #cf7e5e", "#i c #cf7e63", ".R c #cf7f5b", ".S c #cf7f5c", ".O c #cf7f5d", ".N c #cf7f5f", ".M c #cf7f60", ".L c #d08162", "co c #d4a081", "cG c #d4a082", "#k c #b7532f", "c8 c #b93921", "#l c #b95934", "cX c #ba3921", "#m c #bc603b", "#T c #bd623c", "#C c #bf6540", "at c #bf6c43", "#e c #c14f35", "aK c #c16f48", "aL c #c26f47", "a3 c #c27149", "a2 c #c2724a", "ab c #c3724b", "as c #c3734e", "#u c #c3744d", "bf c #c3754e", "ax c #c3774f", "bY c #c47751", "#w c #c57852", "aP c #c57a52", "a6 c #c57d55", "#N c #c57d56", "cw c #c67c55", "#M c #c67d56", "bi c #c68059", "#5 c #c78059", "by c #c7835a", "cx c #c8825d", "#n c #c97c5c", "bv c #c9805b", "ce c #c9815b", "aQ c #c9835e", "af c #c9835f", "a7 c #c9865f", "#9 c #ca8060", "bM c #ca845f", "#t c #cb8461", "bj c #cb8b65", "a1 c #cd8b6c", "aj c #cd8f6c", "ae c #ce8d6c", "bI c #ce8d6e", "ay c #cf8f6c", "aJ c #d09174", "bQ c #d09674", "cy c #d19674", "bz c #d29b7a", "be c #d3997c", "#Z c #d3997d", "b9 c #d39d7d", "cF c #d39d7e", "bP c #d49c7b", "#L c #d49c7e", "#4 c #d49d7f", "#D c #d59a80", "#U c #d69a82", "cH c #d6a78b", "ac c #d79c81", "#Y c #d79c82", "#o c #d79e86", "aw c #d79f83", "#s c #d79f84", "bT c #d7a385", "cE c #d7a486", "aB c #d8a78a", "aO c #d9a287", "aa c #d9a389", "a5 c #d9a589", "bx c #d9a88b", "#0 c #daa68d", "bh c #daa78b", "bN c #dba78c", "bZ c #dba88f", "ap c #dca791", "cf c #dcab91", "b8 c #dcaf95", "b2 c #dcaf96", "b3 c #dcb198", "cz c #ddb197", "bC c #ddb198", "cn c #ddb298", "bs c #deb098", "bL c #dfb29a", "a8 c #dfb59e", "cD c #e0b69e", "b4 c #e0b8a0", "aR c #e2baa4", "#r c #e3b9a6", "ar c #e3baa8", "#p c #e4baaa", "aS c #e4bea7", "bk c #e4c0ab", "#X c #e5beac", "bm c #e5c1ac", "ag c #e5c2ad", "au c #e6baa5", "aM c #e6bca7", "aH c #e6c1b1", "b. c #e6c3ae", "bu c #e6c3b2", "#q c #e6c3b3", "a4 c #e7bda9", "bg c #e7bfaa", "bw c #e7c0ab", "aZ c #e8c8ba", "cA c #e8c9b6", "b1 c #e8c9b7", "cC c #e9cab7", "cB c #e9cdbc", "bR c #e9cebc", "ai c #eacebe", "#1 c #ebcebf", "bO c #ebd2c4", "#K c #ecd0c2", "ad c #edd4c8", "bS c #eed6c8", "b5 c #eed7c9", "#E c #efd5cb", "az c #efd7c9", "cm c #efd8ca", "a. c #efd8ce", "cg c #f0dace", "bA c #f0dcd0", "bJ c #f0dcd1", "#3 c #f0ddd2", "#H c #f1e3dc", "b7 c #f2e2d8", "a0 c #f3e4de", "#V c #f4e3dc", "cj c #f4eae4", "aI c #f5e8e2", "a# c #f6e9e2", "bd c #f6ebe5", "b0 c #f7e9e2", "#W c #f7eae5", "aA c #f7ece6", "#G c #f7ede8", "bB c #f7eee8", "#J c #f8eee8", "#I c #f8efeb", "ci c #f8f0eb", "bK c #f9ede8", "#F c #f9efea", "cl c #f9efeb", "ch c #f9f0eb", "#2 c #f9f3ee", "a9 c #faf2ee", "ck c #faf3ee", "ah c #faf5f0", "aq c #fbf3ef", "bl c #fbf3f0", "bt c #fbf5f1", "b6 c #fbf5f2", "av c #fbf7f4", "aN c #fcf7f5", "Qt.#.a.b.c.d.e.f.f.f.g.g.h.i.i.j.k.l.m.n", ".o.p.q.r.s.t.u.v.w.w.x.y.z.A.A.B.C.D.E.F", ".G.H.I.J.K.L.M.N.O.P.Q.R.S.Q.T.U.V.W.X.Y", ".Z.0.J.1.2.3.4.5.6.7.8.9#.###a#b#c#d#e#f", "#g#h#i#j#k#l#m#n#o#p#q#r#s#t#u#v#w#x#y#z", "#A#B.L.3#l#C#D#E#F#G#H#I#J#K#L#M#N#O#P#Q", "#R.u#S.4#T#U#V#W#X#Y#Z#0#1#2#3#4#5#6#7#8", "#A.v.N.5#9a.a#aaabacadaeafagahaiajakalam", "#A.wanaoapaqarasatauavawaxayazaAaBaCaDaE", "#A.waFaGaHaIaJaKaLaMaNaOaPaQaRaqaSaTaUaV", "aW.xaXaYaZa0a1a2a3a4aNa5a6a7a8a9b.b#babb", "aW.y.Tbc#qbdbebf#ubgaNbhbibjbkblbmbnbobp", "aWbq.QbrbsbtbubvaxbwaNbxbybzbAbBbCbDbEbF", "bG.A.QbHbIbJbKbLbMbNbObPbQbRbtbSbTbUbVbW", "bG.AbX#abYbZb0#Jb1b2b3b4b5b6b7b8b9c.c#ca", "cbcc.T#bcdcecfcgchcicjckclcmcnb9cocpcqcr", "csctcucv#wcwcxcyczcAcBcCcDcEcFcGcHcIcJcK", "cLcM.W#dcNcN#6cOcPcQcRcScTcUc.cpcVcWcXcY", "cZc0.X#e#y#Pc1alaDc2c3c4boc5c6cqc7c8c9d.", "d#dadbdcddde#8amaEaVdfbpbFbWcadgdhdidjdk"}; ./arbsrc_9167/lib/pixmaps/unused/gen_map.bitmap0000644012664100000130000000065711213220012021465 0ustar arb_buildcoders#define gen_map_width 24 #define gen_map_height 18 static unsigned char gen_map_bits[] = { 0x00, 0x00, 0x00, 0x10, 0x20, 0x04, 0x20, 0x20, 0x02, 0x40, 0x14, 0x01, 0x80, 0x94, 0x00, 0x00, 0x41, 0x0c, 0x20, 0x00, 0x03, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x03, 0xe0, 0x00, 0x00, 0x1c, 0x00, 0x0f, 0x00, 0x41, 0x30, 0x80, 0x94, 0x00, 0x40, 0x22, 0x01, 0x00, 0x22, 0x00, 0x00, 0x41, 0x00, 0x00, 0x41, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/jm1.bitmap0000644012664100000130000000073211213220012020540 0ustar arb_buildcoders#define jm_width 20 #define jm_height 20 static char jm_bits[] = { 0x00, 0x03, 0x00, 0xc0, 0x0f, 0x00, 0xe0, 0x1f, 0x00, 0xe0, 0x1f, 0x00, 0xc3, 0x3f, 0x06, 0xee, 0xdf, 0x0f, 0x9e, 0xef, 0x03, 0x7e, 0xff, 0x00, 0xf8, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x00, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0xc0, 0x1b, 0x00, 0x80, 0x33, 0x00, 0x80, 0x73, 0x00, 0x80, 0x73, 0x00, 0xc0, 0x71, 0x00, 0x80, 0x71, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/jm2.bitmap0000644012664100000130000000101111213220012020530 0ustar arb_buildcoders#define jm2_width 24 #define jm2_height 24 static char jm2_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x3f, 0x00, 0x80, 0x7f, 0x00, 0x80, 0x7f, 0x0c, 0x0c, 0xff, 0x1c, 0xb8, 0x7f, 0x0f, 0x78, 0xbe, 0x0f, 0xf8, 0xfd, 0x03, 0xe0, 0xff, 0x00, 0x00, 0x7e, 0x00, 0x00, 0x7c, 0x00, 0x00, 0xfe, 0x00, 0x00, 0x7e, 0x00, 0x00, 0xfe, 0x00, 0x00, 0x6f, 0x00, 0x00, 0xce, 0x00, 0x00, 0xce, 0x01, 0x00, 0xce, 0x01, 0x00, 0xc7, 0x01, 0x00, 0xc6, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/jm3.bitmap0000644012664100000130000000073211213220012020542 0ustar arb_buildcoders#define jm_width 20 #define jm_height 20 static char jm_bits[] = { 0x00, 0x03, 0x00, 0xc0, 0x0f, 0x00, 0xe0, 0x1f, 0x01, 0xe0, 0x9f, 0x03, 0xc3, 0xbf, 0x03, 0xee, 0xdf, 0x01, 0x9e, 0xef, 0x01, 0x7e, 0xff, 0x00, 0xf8, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x00, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0xc0, 0x1b, 0x00, 0x80, 0x33, 0x00, 0x80, 0x73, 0x00, 0x80, 0x73, 0x00, 0xc0, 0x71, 0x00, 0x80, 0x71, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/jm4.bitmap0000644012664100000130000000073211213220012020543 0ustar arb_buildcoders#define jm_width 20 #define jm_height 20 static char jm_bits[] = { 0x00, 0x03, 0x00, 0xc0, 0x0f, 0x00, 0xe0, 0xff, 0x00, 0xe0, 0xdf, 0x01, 0xc3, 0xbf, 0x01, 0xee, 0xdf, 0x01, 0x9e, 0xef, 0x00, 0x7e, 0xff, 0x00, 0xf8, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x00, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0xc0, 0x1b, 0x00, 0x80, 0x33, 0x00, 0x80, 0x73, 0x00, 0x80, 0x73, 0x00, 0xc0, 0x71, 0x00, 0x80, 0x71, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/jm5.bitmap0000644012664100000130000000073211213220012020544 0ustar arb_buildcoders#define jm_width 20 #define jm_height 20 static char jm_bits[] = { 0x00, 0x03, 0x00, 0xc0, 0x0f, 0x00, 0xe0, 0x7f, 0x00, 0xe0, 0x7f, 0x00, 0xc4, 0xff, 0x00, 0xee, 0xff, 0x00, 0x9e, 0xef, 0x00, 0x7c, 0x7f, 0x00, 0xf8, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x00, 0x3f, 0x00, 0x00, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0xc0, 0x1b, 0x00, 0x80, 0x33, 0x00, 0x80, 0x73, 0x00, 0x80, 0x73, 0x00, 0xc0, 0xf1, 0x00, 0xe0, 0x01, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/jm6.bitmap0000644012664100000130000000073211213220012020545 0ustar arb_buildcoders#define jm_width 20 #define jm_height 20 static char jm_bits[] = { 0x00, 0x06, 0x00, 0xc0, 0x0f, 0x00, 0xc0, 0x7f, 0x00, 0xc0, 0x7f, 0x00, 0xc0, 0xff, 0x00, 0xc0, 0xff, 0x00, 0x8e, 0xef, 0x00, 0x7e, 0x7f, 0x00, 0xfc, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x00, 0x3f, 0x00, 0x00, 0x3f, 0x00, 0x80, 0x1f, 0x00, 0x80, 0x3f, 0x00, 0xc0, 0x1b, 0x00, 0x80, 0x33, 0x00, 0x80, 0x73, 0x00, 0x80, 0x73, 0x00, 0xc0, 0xf1, 0x00, 0xe0, 0x01, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/kill.bitmap0000644012664100000130000000126611213220012021007 0ustar arb_buildcodersP7 332 #XVVERSION:Version 3.10a Rev: 12/29/94 #IMGINFO:24x24 X11 bitmap file (524 bytes) #END_OF_COMMENTS 24 24 255 ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ¶’m’m’m’m¶ÿÿÿÿÿÿÿÿÿÿÿÿ¶’I$’m’m’mIIm¶ÿÿÿÿÿÿÿÿÿ¶I$’¶ÿÿÿÿÿÿ¶’II¶ÿÿÿÿÿÿÿ¶II¶ÿÿÿÿÿÿÿÿÿÿ¶II¶ÿÿÿÿÿÿnI¶ÿ¶’m¶ÿÿ¶’m¶ÿ¶Imÿÿÿÿÿÿ‘mÿ¶II¶¶II¶ÿm’ÿÿÿÿÿÿn‘Û’n‘nÿ‘nÿÿÿÿÿÿ‘I¶¶IIm’II¶¶Imÿÿÿÿÿÿ¶Inÿ¶’m¶’m¶’m¶ÿnI¶ÿÿÿÿÿÿÿmI¶ÿÿÿ¶II¶ÿÿÿ¶I‘ÿÿÿÿÿÿÿÿ¶II¶ÿ¶II¶ÿ¶II¶ÿÿÿÿÿÿÿÿÿ¶II¶¶’m’m¶¶II¶ÿÿÿÿÿÿÿÿÿÿÿ¶IImn‘n‘nII¶ÿÿÿÿÿÿÿÿÿÿÿÿÿmIIIIIIIImÿÿÿÿÿÿÿÿ¶’¶ÿÿÿ’$II$I$IImÿÿ¶’¶ÿÿ¶II¶ÿÿ¶’mm’m’m‘¶ÿ¶II¶ÿ¶IIm’m¶ÿÿÿÿÿÿ¶n‘II¶ÿÿ¶n‘n‘IIm’m’m’IImn‘¶ÿÿ¶’m¶¶nIIII¶¶n‘¶ÿmIIIm’m¶¶’m’$IInÿ’Im’m¶ÿÿÿÿÿÿÿÿ¶’mI‘ÿ¶n‘¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ¶’m¶ÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿÿ./arbsrc_9167/lib/pixmaps/unused/less.xpm0000644012664100000130000000205111213220012020343 0ustar arb_buildcoders/* XPM */ static const unsigned char * less_xpm[] = { "50 18 2 1", " c None", "! c black", " ", " ", " ", " ", " ", " ! ! ! !! !!!!! !!!!! !!!!! ", " ! ! ! !! !! !! !! ", " ! ! ! !! !! !! !! ", " ! ! ! !! !!!!! !!!!! !!!!! ", " ! ! ! !! !! !!!!! !!!!! ", " ! ! ! !! !! !! !! ", " ! ! ! !! !! !! !! ", " ! ! ! !!!!! !!!!! !!!!! !!!!! ", " ", " ", " ", " ", " "};./arbsrc_9167/lib/pixmaps/unused/ljump.bitmap0000644012664100000130000000063711213220012021204 0ustar arb_buildcoders#define ljump_width 48 #define ljump_height 9 static char ljump_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x03, 0xdf, 0xc7, 0xf8, 0x78, 0x33, 0x83, 0xc1, 0xe0, 0x99, 0x0d, 0x33, 0x83, 0xc1, 0x30, 0x9b, 0x0d, 0x33, 0x03, 0xcf, 0x33, 0xfb, 0x0c, 0x3f, 0x03, 0xd8, 0xf0, 0x9b, 0x0d, 0x33, 0x03, 0xd8, 0x30, 0x9b, 0x0d, 0x33, 0x9f, 0xcf, 0x37, 0x9b, 0x79, 0x33, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/logo.bitmap0000644012664100000130000003045411213220012021015 0ustar arb_buildcoders#define logo_width 206 #define logo_height 77 static char logo_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0xff, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 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lzoom_sec_bits[] = { 0xc0, 0x00, 0x00, 0xc0, 0x00, 0x00, 0xc8, 0x0f, 0x38, 0xd0, 0x2f, 0x7c, 0xe0, 0x60, 0xc6, 0x70, 0xfe, 0xc6, 0xb8, 0xfe, 0xc6, 0x1f, 0x61, 0x7c, 0x3f, 0x20, 0x3e, 0x7f, 0x00, 0x06, 0xe0, 0x00, 0x03, 0xc0, 0x0f, 0x03, 0xc0, 0x8f, 0x01, 0xc0, 0x80, 0x01, 0xc0, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe1, 0x01, 0x00, 0x01, 0x19, 0x93, 0x81, 0xa4, 0xf4, 0x41, 0xa4, 0x94, 0x41, 0xa4, 0x94, 0x21, 0xa4, 0x94, 0xef, 0x19, 0x93}; ./arbsrc_9167/lib/pixmaps/unused/matches.bitmap0000644012664100000130000000052211213220012021472 0ustar arb_buildcoders#define matches_width 19 #define matches_height 13 static unsigned char matches_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x3f, 0x00, 0xe0, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0x3f, 0x00, 0xe0, 0x3f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/minus.bitmap0000644012664100000130000000027611213220012021207 0ustar arb_buildcoders#define minus_width 13 #define minus_height 9 static char minus_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xfe, 0x0f, 0xfe, 0x0f, 0xfe, 0x0f, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/mol.xpm0000644012664100000130000001161411213220012020171 0ustar arb_buildcoders/* XPM */ static char *mol[]={ "32 32 174 2", "Qt c None", "#Q c #040000", "#3 c #ab0000", ".d c #0000b3", "ap c #ab0000", ".4 c #0000b3", "aB c #ab0000", ".j c #0000b3", "aL c #ab0000", ".y c #000000", ".# c #0000b3", ".m c #0000b3", "#F c #000000", "ag c #040000", "#s c #0000b3", "#Z c #ab0000", ".W c #040000", "al c #040000", "ay c #ab0000", ".V c #000000", "#i c #040000", "af c #ab0000", ".E c #000000", ".n c #0000b3", "#7 c #000000", "aq c #040000", ".e c #0000b3", "#e c #000000", "#n c #0000b3", ".L c #040000", "#d c #0000b3", "#r c #040000", "#2 c #040000", "aE c #ab0000", ".v c #0000b3", "aR c #ab0000", "av c #ab0000", "aH c #ab0000", "#A c #000000", ".z c #040008", ".c c #0000b3", "#T c #040000", ".r c #0000b3", "#w c #040000", "#6 c #ab0000", "#U c #ab0000", "#L c #040000", ".k c #0000b3", ".a c #0000b3", "#j c #0000b3", "#t c #0000ad", "aM c #ab0000", "aD c #ab0000", "az c #ab0000", ".Q c #0000b3", ".5 c #000000", "#R c #000000", ".R c #000000", ".b c #0000b3", ".K c #000000", "a. c #000000", "a# c #040000", "aQ c #ab0000", "#o c #000000", "ah c #040000", "aK c #ab0000", ".i c #0000b3", "am c #040000", "#4 c #ab0000", ".X c #040000", "ax c #ab0000", ".t c #0000b3", "aN c #ab0000", "#h c #040000", ".F c #000000", "ar c #040000", "#8 c #000000", ".D c #0000b3", ".M c #040000", ".q c #0000b3", "ak c #ab0000", ".p c #0000b3", "aP c #ab0000", "#1 c #040000", "#q c #040000", "#Y c #a80000", "aG c #ab0000", ".J c #000000", "#D c #000000", ".U c #000000", "#S c #040000", "#m c #0000b3", ".f c #0000b3", ".u c #0000b3", "aw c #8f0000", "#M c #090000", "aO c #ab0000", "#v c #040000", ".3 c #0000b3", "ac c #2b0000", "#V c #ab0000", ".x c #0000b3", "aC c #ab0000", "aI c #ab0000", ".l c #0000b3", "#J c #040000", ".G c #000000", "#9 c #000000", "#z c #000000", ".6 c #010000", "#y c #040000", "aA c #ab0000", "#u c #040007", "#G c #040000", "#K c #040000", "#C c #040000", "#k c #0000b2", ".s c #0000b3", "#B c #040000", "ae c #ab0000", ".o c #0000b3", "aa c #040000", "#H c #040000", ".7 c #040000", "ai c #040000", "#5 c #ab0000", "#c c #0000b3", ".I c #000000", "ao c #ab0000", "#x c #040000", ".8 c #040005", ".Y c #040000", "aF c #aa0000", ".S c #000000", ".h c #0000b2", "#g c #040000", "aJ c #ab0000", "#E c #000000", ".A c #03002f", "ab c #040000", ".N c #040000", "as c #070000", ".H c #000000", "#0 c #040000", ".T c #000000", ".w c #0000a4", "## c #0000a5", ".2 c #0000a9", "#. c #0000ad", ".Z c #0000b1", ".P c #0000b2", ".g c #0000b3", "#p c #010000", ".0 c #010079", ".1 c #010088", ".C c #01008f", "#f c #020000", ".9 c #020060", "#I c #030000", "#l c #030024", "#b c #03002a", ".O c #040000", "#a c #040001", ".B c #04000f", "#P c #050000", "#O c #200000", "at c #340000", "#N c #360000", "aj c #5d0000", "an c #780000", "ad c #990000", "au c #a80000", "#X c #aa0000", "#W c #ab0000", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.#.a.b.c.dQtQtQtQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.e.f.g.g.g.g.h.i.jQtQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.k.h.g.g.g.g.g.g.g.l.mQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.n.o.g.g.g.g.g.g.g.g.g.pQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.q.g.g.g.g.g.g.g.g.g.g.g.rQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.s.g.g.g.g.g.g.g.g.g.g.g.tQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.e.g.g.g.g.g.g.g.g.g.g.g.g.uQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt.v.g.w.g.g.g.g.g.g.g.g.g.g.xQt", "QtQtQtQtQtQtQt.yQtQtQtQtQtQtQtQtQt.z.A.B.C.g.g.g.g.g.g.g.g.g.DQt", "QtQtQtQt.E.F.G.H.I.J.KQtQtQtQt.L.M.N.O.O.B.P.g.g.g.g.g.g.g.g.QQt", "QtQtQt.R.S.T.T.T.T.T.T.U.V.W.X.Y.O.O.O.O.O.C.g.Z.0.1.2.g.g.3.4Qt", "QtQt.5.T.T.T.T.T.T.T.T.T.6.7.O.O.O.O.O.8.9#.###a.O.O#b.g#c#dQtQt", "Qt#e.I.T.T.T.T.T.T.T.T.T.T#f.O.O.O#g#h#i#j#k.2.O.O.O#l#m#nQtQtQt", "Qt#o.T.T.T.T.T.T.T.T.T.T.T#p.O.O#q#rQtQtQt#s#t.O.O.O#uQtQtQtQtQt", "Qt.J.T.T.T.T.T.T.T.T.T.T.T.T#v#wQtQtQtQtQtQtQt#x.O.O#yQtQtQtQtQt", "Qt#z.T.T.T.T.T.T.T.T.T.T.T.T#AQtQtQtQtQtQtQtQt#B.O.O#CQtQtQtQtQt", "Qt#D.T.T.T.T.T.T.T.T.T.T.T#E#FQtQtQtQtQtQtQtQt#G.O.O#HQtQtQtQtQt", "Qt#o.T.T.T.T.T.T.T.T#I#I#p.GQtQtQtQtQtQtQtQtQt#J.O.O.YQtQtQtQtQt", "Qt#e.I.T.T.T.T.T.T#f.O.O.O#K#LQtQtQtQtQtQtQtQt#M#N#O#P#QQtQtQtQt", "QtQt#R.T.T.T.T.T.T#I.O.O.O.O.O#S#TQtQtQtQt#U#V#W#W#W#X#Y#ZQtQtQt", "QtQtQt.R.S.T.T.T.T#f.O.O.O.O.O.O#0#1#2#3#4#W#W#W#W#W#W#W#5#6QtQt", "QtQtQtQt#7#8#9.H.I.Ja.a#aa.O.O.O.O.Oabacad#W#W#W#W#W#W#W#WaeafQt", "QtQtQtQtQtQtQt.yQtQtQtQtagahai.O.O.O.O.Oaj#W#W#W#W#W#W#W#W#WakQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtalam#x.O.O.Oan#W#W#W#W#W#W#W#W#Waoap", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtaqarasatau#W#W#W#W#W#W#W#W#W#Wav", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtawau#W#W#W#W#W#W#W#W#W#W#W#U", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtax#W#W#W#W#W#W#W#W#W#W#W#Way", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtaz#W#W#W#W#W#W#W#W#W#W#WaAQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtaBaC#W#W#W#W#W#W#W#W#W#WaDQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtaEaF#W#W#W#W#W#W#W#WaGQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtaHaI#W#W#W#W#WaJaKaLQtQt", "QtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQtQt#3aMaNaOaPaQaRQtQtQtQt"}; ./arbsrc_9167/lib/pixmaps/unused/more.xpm0000644012664100000130000000205111213220012020337 0ustar arb_buildcoders/* XPM */ static const unsigned char * more_xpm[] = { "50 18 2 1", " c None", "! c black", " ", " ", " ", " ", " ", " !! !! !!!!! !!!!! !!!!! ! ! ! ", " !!! !!! !! !! !! !! !! ! ! ! ", " !!!! !!!! !! !! !! !! !! ! ! ! ", " ! !!!! !! !! !! !! !! !!!!! ! ! ! ", " ! !! !! !! !! !!!!! !! ! ! ! ", " ! !! !! !! !! !! !! ! ! ! ", " ! !! !! !! !! !! !! ! ! ! ", " ! !! !!!!! !! !! !!!!! ! ! ! ", " ", " ", " ", " ", " "};./arbsrc_9167/lib/pixmaps/unused/move2.bitmap0000644012664100000130000000046511213220012021104 0ustar arb_buildcoders#define move2_width 16 #define move2_height 16 static char move2_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x07, 0x00, 0x0e, 0x00, 0x1c, 0x00, 0x38, 0xff, 0x7f, 0xff, 0xff, 0xff, 0x7f, 0x00, 0x38, 0x00, 0x1c, 0x00, 0x0e, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/moveleft.bitmap0000644012664100000130000000132211213220012021666 0ustar arb_buildcoders#define moveleft_width 40 #define moveleft_height 20 static unsigned char moveleft_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x04, 0x00, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x80, 0x07, 0x00, 0x00, 0x00, 0xc0, 0x07, 0x00, 0x00, 0x00, 0xe0, 0x07, 0x00, 0x00, 0x00, 0xf0, 0xff, 0xff, 0xff, 0x7f, 0xf8, 0xff, 0xff, 0xff, 0x7f, 0xfc, 0xff, 0xff, 0xff, 0x7f, 0xfc, 0xff, 0xff, 0xff, 0x7f, 0xf8, 0xff, 0xff, 0xff, 0x7f, 0xf0, 0xff, 0xff, 0xff, 0x7f, 0xe0, 0xff, 0xff, 0xff, 0x7f, 0xc0, 0x07, 0x00, 0x00, 0x00, 0x80, 0x07, 0x00, 0x00, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x00, 0x04, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/ndstree.bitmap0000644012664100000130000000037511213220012021520 0ustar arb_buildcoders#define ndstree_width 24 #define ndstree_height 9 static char ndstree_bits[] = { 0x9c, 0xc7, 0x07, 0x9c, 0xc7, 0x07, 0x00, 0x00, 0x00, 0x9c, 0xc3, 0x0f, 0x9c, 0xc3, 0x0f, 0x00, 0x00, 0x00, 0x9c, 0xc7, 0x07, 0x9c, 0xc7, 0x07, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/not.bitmap0000644012664100000130000000050611213220012020650 0ustar arb_buildcoders#define not_width 19 #define not_height 13 static unsigned char not_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x0c, 0x00, 0x00, 0x0c, 0x00, 0xe0, 0x3f, 0x00, 0xe0, 0x3f, 0x00, 0x00, 0x06, 0x00, 0x00, 0x03, 0x00, 0xe0, 0x3f, 0x00, 0xe0, 0x3f, 0x00, 0x80, 0x01, 0x00, 0x80, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/pdown.bitmap0000644012664100000130000000046511213220012021203 0ustar arb_buildcoders#define pdown_width 16 #define pdown_height 16 static char pdown_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x18, 0x00, 0x18, 0x00, 0x18, 0x00, 0xdb, 0x00, 0x7e, 0x00, 0x3c, 0x00, 0x18, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/plus.bitmap0000644012664100000130000000027311213220012021034 0ustar arb_buildcoders#define plus_width 13 #define plus_height 9 static char plus_bits[] = { 0xe0, 0x00, 0xe0, 0x00, 0xe0, 0x00, 0xfe, 0x0f, 0xfe, 0x0f, 0xfe, 0x0f, 0xe0, 0x00, 0xe0, 0x00, 0xe0, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/pup.bitmap0000644012664100000130000000045711213220012020661 0ustar arb_buildcoders#define pup_width 16 #define pup_height 16 static char pup_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x18, 0x00, 0x3c, 0x00, 0x7e, 0x00, 0xdb, 0x00, 0x18, 0x00, 0x18, 0x00, 0x18, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00,0x00,0x00,0x00,0x00,0x00}; ./arbsrc_9167/lib/pixmaps/unused/quitText.xpm0000644012664100000130000001355611213220012021240 0ustar arb_buildcoders/* XPM */ static char *quitText[]={ "70 19 201 2", ".# c None", "Qt c None", "#. c #000000", ".Y c #a62213", ".c c #a62214", ".I c #a62313", ".b c #a62314", ".d c #a62414", ".s c #a72616", ".a c #a72718", "bb c #a92b17", "bg c #a92b18", "bc c #ad3622", ".H c #ad3722", ".r c #ad3823", ".e c #b03e2c", "bf c #b13f26", "a5 c #b14026", "aT c #b75135", ".X c #b8573b", "aM c #b95538", ".K c #b95732", "ay c #b95839", "aj c #ba593a", ".L c #ba5a36", "be c #ba5a3a", "ba c #bb5a3d", "#9 c #bb5b3b", "bd c #bb5d3c", "#X c #bb5d3d", ".q c #bb5d41", ".0 c #bb5e38", ".M c #bb5f39", "## c #bc5f3a", "#L c #bc5f3e", "#A c #bc6140", "#m c #bc6242", ".v c #bd623f", ".9 c #bd6544", ".Z c #be623f", ".w c #be6440", ".x c #bf6742", ".y c #c06944", ".z c #c06b46", ".J c #c06b49", ".u c #c16a49", ".f c #c16a53", ".N c #c16c48", "#D c #c16e47", ".A c #c16e48", ".p c #c16e4f", ".o c #c26f50", ".B c #c2704a", ".n c #c27051", "a. c #c27153", "a6 c #c2724f", ".G c #c27250", "#o c #c36f4c", "#O c #c3714a", ".m c #c37153", ".l c #c37254", "ak c #c3734c", ".C c #c3734d", ".k c #c47356", ".j c #c47357", "#0 c #c4744d", ".T c #c4744e", "#n c #c47459", ".i c #c4745a", "aA c #c4754e", ".D c #c4754f", ".h c #c4755b", "az c #c4764f", ".U c #c47750", "#r c #c57551", ".E c #c57851", ".V c #c57b53", ".6 c #c57b54", ".g c #c6785e", ".S c #c67953", "#u c #c67b55", "aU c #c67d56", ".F c #c67d57", "#N c #c77956", "#Z c #c77d59", ".7 c #c77e57", ".W c #c77f58", ".8 c #c78059", "a7 c #c7805a", "#T c #c7815a", "#E c #c87c56", ".t c #c87d63", "#H c #c88059", "#k c #c8815b", "aV c #c8825c", "#l c #c8835c", "#P c #c97e59", "al c #c9805d", "#S c #c9835d", "#z c #c9855e", "#5 c #c9855f", "#K c #c98761", "#1 c #ca815d", "ab c #ca855f", "ap c #ca8560", "#4 c #ca8661", "af c #ca8962", "ae c #cb8a64", "#W c #cb8a65", "#y c #cb8b66", "as c #cc8b66", "#8 c #cd8e6a", "aW c #cd8f6b", "#e c #ce8767", "#f c #cf8b6b", "b# c #cf9074", "a8 c #cf916e", "a4 c #cf9174", "ai c #cf926e", "a9 c #d09473", "ax c #d09573", "ao c #d19372", "aL c #d19778", "aS c #d2997c", ".R c #d39475", "b. c #d3997c", "aE c #d39a7a", "aF c #d39b7a", "a2 c #d39c7d", "aK c #d39d7c", ".O c #d49276", ".5 c #d49b7d", ".1 c #d5987d", "aw c #d59e7e", "a1 c #d59f7f", "aR c #d5a082", "#a c #d69a80", "#j c #d6a083", "#v c #d7a082", "a3 c #d7a589", "#U c #d8a284", "#J c #d8a485", "#B c #d99f85", "#6 c #d9a587", "at c #d9aa8d", "#C c #daa48a", "aa c #dca990", "ah c #ddae93", "a# c #dfab91", "#d c #dfad97", "aB c #dfae96", "aD c #dfb199", "aX c #dfb297", "aJ c #dfb49b", "aN c #e0b39b", "a0 c #e1b69d", "aQ c #e1b8a0", ".Q c #e3b49f", ".P c #e4b5a0", "#V c #e4baa1", "aG c #e4bea8", "#t c #e4c0ae", "#g c #e5bba6", "#7 c #e5bda5", "#M c #e6c0af", "#Y c 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c #464646", "w c #000000", "v c #000000", "o c #464646", "u c #000000", "n c #464646", "j c #000000", "t c #464646", "c c #000000", "g c #000000", "s c #111111", "m c #151515", "p c #1c1c1c", "h c #2a2a2a", "f c #313131", "l c #343434", "r c #383838", "a c #464646", "...................", "...................", "...................", ".....#aaaaab..cd...", "....efggggghijgd...", "...klmn...opgggd...", "..qrst.....ugggd...", "..qrc.....vggggd...", "..qrc....wgggggd...", "..qrc..............", "..qrc..............", "..qrst.............", "...klmn............", "....efgggggx.......", ".....#aaaaab.......", "...................", "...................", "..................."}; ./arbsrc_9167/lib/pixmaps/unused/refreshText.xpm0000644012664100000130000000307411213220012021706 0ustar arb_buildcoders/* XPM */ static const unsigned char * refreshtext_xpm[] = { "70 19 8 1", " c None", "! c black", "# c #616161", "$ c #545454", "% c #0066CC", "& c #99CCFF", "' c white", "( c #808080", " #$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$# ", "#$%%%%%%%%%%%%%%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$#", "$%%%%%%%%%%%%%%%%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$", "$%%%%%%%%%%%%%%%%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$", "$%%%%%%%%%%%%%%%%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$", "$%%%&%%&'''&%%%%%%%$$$$$$$$$$$$$$$$$$$$(''$$$$$$$$$$$$$$$$$$('$$$$$$$$", "$%%%'&''%%%'&%%%%%%$$$$(''''$$$$$$$$$$('$$$$$$$$$$$$$$$$$$$$('$$$$$$$$", "$%%%''&%%%%%'&%%%%%$$$$('$$('$$$$$$$$$('$$$$$$$$$$$$$$$$$$$$('$$$$$$$$", "$%%%''&%%%%%%%%%%%%$$$$('$$('$$$('''$$(''$('$'$$('''$$$('''$(''''$$$$$", "$%%%'''&%%%%%%%%%%%$$$$('$$('$$('$$('$('$$('''$('$$('$('$$$$('$$('$$$$", "$%%%%%%%%%%%&'''%%%$$$$(''''$$$(''''($('$$('$$$(''''($('''$$('$$('$$$$", "$%%%%%%%%%%%%&''%%%$$$$('$('$$$('$$$$$('$$('$$$('$$$$$$((('$('$$('$$$$", "$%%%%%&'%%%%%&''%%%$$$$('$$('$$('$$$$$('$$('$$$('$$$$$$$$('$('$$('$$$$", "$%%%%%%&'%%%''&'%%%$$$$('$$$('$$(''''$('$$('$$$$(''''$('''$$('$$('$$$$", "$%%%%%%%&'''&%%&%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$", "$%%%%%%%%%%%%%%%%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$", "#%%%%%%%%%%%%%%%%%%$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$#", "##%%%%%%%%%%%%%%%%#$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$#", " #$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$# "}; ./arbsrc_9167/lib/pixmaps/unused/search.bitmap0000644012664100000130000000074411213220012021321 0ustar arb_buildcoders#define search_width 50 #define search_height 9 static unsigned char search_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xe0, 0xf3, 0x79, 0x3e, 0x1e, 0x33, 0x00, 0xf0, 0xf7, 0xfd, 0x7e, 0x3f, 0x33, 0x00, 0x30, 0x30, 0xcc, 0x66, 0x37, 0x33, 0x00, 0xf0, 0xf3, 0xcc, 0x66, 0x03, 0x3f, 0x00, 0xe0, 0xf7, 0xfc, 0x3e, 0x03, 0x3f, 0x00, 0x00, 0x36, 0xfc, 0x3e, 0x37, 0x33, 0x00, 0xf0, 0xf7, 0xcd, 0x76, 0x3f, 0x33, 0x00, 0xe0, 0xf3, 0xcd, 0x66, 0x1e, 0x33, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/search.xpm0000644012664100000130000000341111213220012020643 0ustar arb_buildcoders/* XPM */ static const unsigned char * search_xpm[] = { "70 18 27 1", " c None", "! c black", "# c white", "$ c #D4E5F7", "% c #C1D9F3", "& c #ADCDF0", "' c #9DC4ED", "( c #D9E8F8", ") c #B9D5F2", "* c #A0C6ED", "+ c #8AB9E9", ", c #80B3E7", "- c #719FCD", ". c #CDE1F5", "0 c #A8CBEF", "1 c #90BDEA", "2 c #7FB2E6", "3 c #6E9AC7", "4 c #98C1EC", "5 c #84B5E8", "6 c #7DAFE2", "7 c #B3D1F1", "8 c #7AABDC", "9 c #6993BD", ": c #73A1CF", "; c #6A95C0", "< c #FF9933", " ", " ", " ", " ", " #### ", " #$%&'# !! ", " #()*+,-# !!!!! !! ", " #.01,23# !! !! ", " #%45,63# !! !!!! !!!! !! ! !!!! !!!!! ", " #7+,689# !!!!! !! !! !! !!!! !! !! !! ", " #:-3;#< !!!!! !!!!!! !!!!! !! !! !! !! ", " ####<<< !! !! !! !! !! !! !! !! ", " <<< !! !! !! !! !! !! !! !! ", " <<< !!!!! !!!!! !!!!! !! !!!! !! !! ", " <<< ", " << ", " ", " "};./arbsrc_9167/lib/pixmaps/unused/separator.xpm0000644012664100000130000000071211213220012021377 0ustar arb_buildcoders/* XPM */ static char *separator[]={ "3 54 2 1", "# c #808080", ". c #ffffff", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#.", ".#."}; ./arbsrc_9167/lib/pixmaps/unused/stop.xpm0000644012664100000130000000063711213220012020372 0ustar arb_buildcoders/* XPM */ static char * stop_xpm[] = { "16 16 3 1", " c None", ". c #EA0606", "+ c #FFFFFF", " ...... ", " .......... ", " .+.......+.. ", " .+++.....+++. ", " .++++...++++.. ", "...++++.++++....", "....+++++++.....", ".....+++++......", "....+++++++.....", "...++++.++++....", "..++++...++++...", " .+++.....+++.. ", " ..+.......+... ", " ............ ", " ........ ", " ...... "}; ./arbsrc_9167/lib/pixmaps/unused/tselect.bitmap0000644012664100000130000000064511213220012021517 0ustar arb_buildcoders#define tselect_width 48 #define tselect_height 9 static char tselect_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0xf7, 0x0d, 0x9f, 0xf7, 0x03, 0x60, 0x30, 0x0c, 0xc3, 0xc0, 0x00, 0x60, 0x30, 0x0c, 0xc3, 0xc0, 0x00, 0xc0, 0xf3, 0x0c, 0xcf, 0xc0, 0x00, 0x00, 0x36, 0x0c, 0xc3, 0xc0, 0x00, 0x00, 0x36, 0x0c, 0xc3, 0xc0, 0x00, 0xe0, 0xf3, 0x7d, 0x9f, 0xc7, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00}; ./arbsrc_9167/lib/pixmaps/unused/undo.xpm0000644012664100000130000000152011213220012020342 0ustar arb_buildcoders/* XPM */ static char *undo[]={ "19 18 26 1", ". c None", "u c #484848", "# c #020202", "p c #474747", "j c #474747", "d c #474747", "g c #474747", "x c #010101", "b c #464646", "w c #000000", "v c #000000", "l c #464646", "q c #000000", "m c #464646", "f c #000000", "r c #464646", "a c #000000", "e c #000000", "s c #111111", "n c #151515", "k c #1c1c1c", "h c #2a2a2a", "i c #313131", "o c #343434", "t c #383838", "c c #464646", "...................", "...................", "...................", "...#a..bcccccd.....", "...#efgheeeeeij....", "...#eeekl...mnop...", "...#eeeq.....rstu..", "...#eeeev.....atu..", "...#eeeeew....atu..", "..............atu..", "..............atu..", ".............rstu..", "............mnop...", ".......xeeeeeij....", ".......bcccccd.....", "...................", "...................", "..................."}; ./arbsrc_9167/lib/pixmaps/unused/www.bitmap0000644012664100000130000000055111213220012020674 0ustar arb_buildcoders#define www_width 40 #define www_height 9 static unsigned char www_bits[] = { 0x00, 0x00, 0x00, 0x00, 0x00, 0xc0, 0x30, 0xc3, 0x0c, 0x03, 0xc0, 0x30, 0xc3, 0x0c, 0x03, 0xc0, 0x30, 0xc3, 0x0c, 0x03, 0xc0, 0x30, 0xc3, 0x0c, 0x03, 0xc0, 0x36, 0xdb, 0x6c, 0x03, 0xc0, 0x3f, 0xff, 0xfc, 0x03, 0xc0, 0x3f, 0xff, 0xfc, 0x03, 0xc0, 0x39, 0xe7, 0x9c, 0x03}; ./arbsrc_9167/lib/pixmaps/weighted1.bitmap0000644012664100000130000000531611213220012020432 0ustar arb_buildcoders#define weighted1_width 70 #define weighted1_height 48 static unsigned char weighted1_bits[] = { 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x80, 0xff, 0xff, 0xff, 0xff, 0xff, 0x1f, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x80, 0x0f, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x51, 0x55, 0x55, 0x55, 0x55, 0x55, 0x55, 0x55, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x28, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x38, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x09, 0x21, 0x84, 0x10, 0x42, 0x08, 0x11, 0x42, 0x38, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x28, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, }; ./arbsrc_9167/lib/pixmaps/weighted2.bitmap0000644012664100000130000000531611213220012020433 0ustar arb_buildcoders#define weighted2_width 70 #define weighted2_height 48 static unsigned char weighted2_bits[] = { 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x80, 0xff, 0xff, 0xff, 0xff, 0xff, 0x1f, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x80, 0x0f, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x54, 0x55, 0x01, 0x00, 0x00, 0x20, 0x01, 0x00, 0xb0, 0x02, 0x02, 0x2a, 0x00, 0x00, 0x20, 0x01, 0x00, 0x0a, 0x00, 0x02, 0x80, 0x02, 0x00, 0x20, 0x01, 0x80, 0x00, 0x00, 0x02, 0x00, 0x14, 0x00, 0x20, 0x01, 0x28, 0x00, 0x00, 0x02, 0x00, 0x40, 0x00, 0x20, 0x01, 0x04, 0x00, 0x00, 0x06, 0x00, 0x80, 0x00, 0x20, 0x01, 0x01, 0x00, 0x00, 0x02, 0x00, 0x00, 0x02, 0x20, 0x81, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x04, 0x20, 0x41, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x08, 0x20, 0x21, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x10, 0x20, 0x11, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x20, 0x20, 0x11, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x20, 0x20, 0x09, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x40, 0x28, 0x09, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x40, 0x38, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x09, 0x21, 0x84, 0x10, 0x42, 0x08, 0x11, 0x42, 0x38, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x28, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, }; ./arbsrc_9167/lib/pixmaps/weighted3.bitmap0000644012664100000130000000531611213220012020434 0ustar arb_buildcoders#define weighted3_width 70 #define weighted3_height 48 static unsigned char weighted3_bits[] = { 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x80, 0xff, 0xff, 0xff, 0xff, 0xff, 0x1f, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x80, 0x42, 0xa5, 0x52, 0x28, 0x28, 0x14, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0x15, 0x45, 0x45, 0x45, 0x51, 0x54, 0x54, 0x14, 0x25, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x07, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x80, 0x0f, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x40, 0x02, 0x00, 0x10, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x40, 0x02, 0x00, 0x10, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x40, 0x06, 0x10, 0x10, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x01, 0x40, 0x02, 0x10, 0x10, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x01, 0x40, 0x02, 0x10, 0x10, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x01, 0x40, 0x02, 0x10, 0x10, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x28, 0x01, 0x00, 0x01, 0x40, 0x02, 0x10, 0x10, 0x00, 0x38, 0xff, 0xaf, 0xaa, 0xaa, 0xaa, 0xaa, 0xaa, 0xea, 0x3f, 0x09, 0x21, 0x84, 0x10, 0x42, 0x08, 0x11, 0x42, 0x38, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x28, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x06, 0x00, 0x00, 0x00, 0x20, 0x01, 0x00, 0x00, 0x00, 0x02, 0x00, 0x00, 0x00, 0x20, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0xff, 0x3f, }; ./arbsrc_9167/lib/pixmaps/www_mode.bitmap0000644012664100000130000000103011213220012020366 0ustar arb_buildcoders#define www_mode_width 24 #define www_mode_height 24 static char www_mode_bits[] = { 0x00, 0x00, 0x00, 0x7c, 0x80, 0x1f, 0xf8, 0x00, 0x0f, 0xf0, 0x01, 0x06, 0xf0, 0x03, 0x06, 0xb0, 0x07, 0x06, 0x30, 0x0f, 0x06, 0x30, 0x1e, 0x06, 0x30, 0x3c, 0x06, 0x30, 0x78, 0x06, 0x30, 0xf0, 0x07, 0x30, 0xe0, 0x07, 0x30, 0xc0, 0x07, 0x30, 0x80, 0x07, 0x78, 0x00, 0x07, 0xfc, 0x00, 0x06, 0x00, 0x00, 0x00, 0x00, 0x00, 0x00, 0x63, 0xc6, 0xc6, 0x63, 0xc6, 0xc6, 0x63, 0xc6, 0xc6, 0x6b, 0xd6, 0xd6, 0x3e, 0x7c, 0x7c, 0x36, 0x6c, 0x6c}; ./arbsrc_9167/lib/pixmaps/yes.bitmap0000644012664100000130000000035411213220012017346 0ustar arb_buildcoders#define yes_width 14 #define yes_height 13 static char yes_bits[] = { 0x00, 0x00, 0x00, 0x30, 0x00, 0x1c, 0x00, 0x0e, 0x00, 0x07, 0x84, 0x03, 0xce, 0x01, 0xff, 0x01, 0xfe, 0x00, 0xfc, 0x00, 0x78, 0x00, 0x70, 0x00, 0x20, 0x00}; ./arbsrc_9167/lib/rna3d/Ecoli_1C2W_23S_rRNA.pdb0000644012664100000130002346744411213220015020516 0ustar arb_buildcodersHEADER RIBOSOME 28-JUL-99 1C2W TITLE 23S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC TITLE 2 MAP AT 7.5 ANGSTROMS RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 23S RIBOSOMAL RNA; COMPND 3 CHAIN: B; COMPND 4 SYNONYM: 23S RRNA; COMPND 5 OTHER_DETAILS: SECOND OF THE 3 RRNA CHAINS OF THE RIBOSOME SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: INTESTINE BACTERIA; SOURCE 4 CELLULAR_LOCATION: CYTOPLASM KEYWDS 23S RRNA, RIBOSOME, LARGE RIBOSOMAL SUBUNIT, ATOMIC PROTEIN KEYWDS 2 BIOSYNTHESIS, RIBONUCLEIC ACID, EM-RECONSTRUCTION, KEYWDS 3 STRUCTURE, 3D ARRANGEMENT, FITTING EXPDTA ELECTRON MICROSCOPY AUTHOR R.BRIMACOMBE,F.MUELLER REVDAT 2 26-SEP-01 1C2W 3 ATOM REVDAT 1 10-APR-00 1C2W 0 JRNL AUTH F.MUELLER,I.SOMMER,P.BARANOV,R.MATADEEN,M.STOLDT, JRNL AUTH 2 J.WOEHNERT,M.GOERLACH,M.VAN HEEL,R.BRIMACOMBE JRNL TITL THE 3D ARRANGEMENT OF THE 23S AND 5S RRNA IN THE JRNL TITL 2 ESCHERICHIA COLI 50S RIBOSOMAL SUBUNIT BASED ON A JRNL TITL 3 CRYO-ELECTRON MICROSCOPIC RECONSTRUCTION AT 7.5 JRNL TITL 4 ANGSTROMS RESOLUTION JRNL REF J.MOL.BIOL. V. 298 35 2000 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.MUELLER,R.BRIMACOMBE REMARK 1 TITL A NEW MODEL FOR THE THREE-DIMENSIONAL FOLDING OF REMARK 1 TITL 2 ESCHERICHIA COLI 16S RIBOSOMAL RNA. I. FITTING THE REMARK 1 TITL 3 RNA TO A 3D ELECTRON MICROSCOPIC MAP AT 20 REMARK 1 TITL 4 ANGSTROMS REMARK 1 REF J.MOL.BIOL. V. 271 524 1997 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH F.MUELLER,R.BRIMACOMBE REMARK 1 TITL A NEW MODEL FOR THE THREE-DIMENSIONAL FOLDING OF REMARK 1 TITL 2 ESCHERICHIA COLI 16S RIBOSOMAL RNA. II. THE REMARK 1 TITL 3 RNA-PROTEIN INTERACTION DATA REMARK 1 REF J.MOL.BIOL. V. 271 545 1997 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REFERENCE 3 REMARK 1 AUTH F.MUELLER,H.STARK,M.VAN HEEL,J.RINKE-APPEL, REMARK 1 AUTH 2 R.BRIMACOMBE REMARK 1 TITL A NEW MODEL FOR THE THREE-DIMENSIONAL FOLDING OF REMARK 1 TITL 2 ESCHERICHIA COLI 16S RIBOSOMAL RNA. III. THE REMARK 1 TITL 3 TOPOGRAPHY OF THE FUNCTIONAL CENTRE REMARK 1 REF J.MOL.BIOL. V. 271 566 1997 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 7.50 ANGSTROMS. REMARK 4 REMARK 4 1C2W COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-1999. REMARK 100 THE RCSB ID CODE IS RCSB001271. REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. REMARK 250 REMARK 250 REFINEMENT. REMARK 250 PROGRAM : ERNA-3D REMARK 250 AUTHOR : MUELLER REMARK 250 REMARK 250 EXPERIMENTAL DETAILS REMARK 250 EXPERIMENT TYPE : CRYO-EM RECONSTRUCTION REMARK 250 DATE OF DATA COLLECTION : NULL REMARK 250 REMARK 250 REMARK: THE CRYST1 AND SCALE RECORDS ARE MEANINGLESS. REMARK 250 REMARK 250 THIS FILE HAS BEEN GENERATED BY THE USE OF ALL RELEVANT REMARK 250 BIOCHEMICAL CONSTRAINTS AND THE CONSTRAINTS GIVEN BY THE REMARK 250 ELECTRON DENSITY CONTOUR OF THE RIBOSOME, WHICH WAS DERIVED REMARK 250 FROM THE CRYO-ELECTRON MICROSCOPIC RECONSTRUCTION. REMARK 250 THIS FILE IS PART OF A SET OF ALL THREE RIBONUCLEIC ACID REMARK 250 CHAINS OF THE RIBOSOME TOGETHER WITH A NUMBER OF RIBOSOMAL REMARK 250 PROTEINS WHICH ARE ALSO DEPOSITED WITH THE PDB DATA BANK. REMARK 250 THE ATOMIC COORDINATES OF ALL THESE RIBOSOMAL COMPONENTS REMARK 250 REFLECT THEIR POSITIONS IN THE 70S RIBOSOME. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT HELIX IDS IN REMARK 650 HELIX RECORDS ARE ONLY THREE CHARACTERS LONG. DUE TO THE REMARK 650 FACT THAT RIBOSOMAL RNA MODELS NEED HELICES WITH LONGER REMARK 650 NAMES, FULL HELIX NAMES ARE GIVEN IN THE COMMENT COLUMNS REMARK 650 OF THESE HELIX RECORDS (COLUMNS 41 - 70). REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2V RELATED DB: PDB REMARK 900 FIRST RNA CHAIN OF THE RIBOSOME REMARK 900 RELATED ID: 1C2X RELATED DB: PDB REMARK 900 THIRD RNA CHAIN OF THE RIBOSOME SEQRES 1 B 2904 G G U U A A G C G A C U A SEQRES 2 B 2904 A G C G U A C A C G G U G SEQRES 3 B 2904 G A U G C C C U G G C A G SEQRES 4 B 2904 U C A G A G G C G A U G A SEQRES 5 B 2904 A G G A C G U G C U A A U SEQRES 6 B 2904 C U G C G A U A A G C G U SEQRES 7 B 2904 C G G U A A G G U G A U A SEQRES 8 B 2904 U G A A C C G U U A U A A SEQRES 9 B 2904 C C G G C G A U U U C C G SEQRES 10 B 2904 A A U G G G G A A A C C C SEQRES 11 B 2904 A G U G U G U U U C G A C SEQRES 12 B 2904 A C A C U A U C A U U A A SEQRES 13 B 2904 C U G A A U C C A U A G G SEQRES 14 B 2904 U U A A U G A G G C G A A SEQRES 15 B 2904 C C G G G G G A A C U G A SEQRES 16 B 2904 A A C A U C U A A G U A C SEQRES 17 B 2904 C C C G A G G A A A A G A SEQRES 18 B 2904 A A U C A A C C G A G A U SEQRES 19 B 2904 U C C C C C A G U A G C G SEQRES 20 B 2904 G C G A G C G A A C G G G SEQRES 21 B 2904 G A G C A G C C C A G A G SEQRES 22 B 2904 C C U G A A U C A G U G U SEQRES 23 B 2904 G U G U G U U A G U G G A SEQRES 24 B 2904 A G C G U C U G G A A A G SEQRES 25 B 2904 G C G C G C G A U A C A G SEQRES 26 B 2904 G G U G A C A G C C C C G SEQRES 27 B 2904 U A C A C A A A A A U G C SEQRES 28 B 2904 A C A U G C U G U G A G C SEQRES 29 B 2904 U C G A U G A G U A G G G SEQRES 30 B 2904 C G G G A C A C G U G G U SEQRES 31 B 2904 A U C C U G U C U G A A U SEQRES 32 B 2904 A U G G G G G G A C C A U SEQRES 33 B 2904 C C U C C A A G G C U A A SEQRES 34 B 2904 A U A C U C C U G A C U G SEQRES 35 B 2904 A C C G A U A G U G A A C SEQRES 36 B 2904 C A G U A C C G U G A G G SEQRES 37 B 2904 G A A A G G C G A A A A G SEQRES 38 B 2904 A A C C C C G G C G A G G SEQRES 39 B 2904 G G A G U G A A A A A G A SEQRES 40 B 2904 A C C U G A A A C C G U G SEQRES 41 B 2904 U A C G U A C A A G C A G SEQRES 42 B 2904 U G G G A G C A C G C U U SEQRES 43 B 2904 A G G C G U G U G A C U G SEQRES 44 B 2904 C G U A C C U U U U G U A SEQRES 45 B 2904 U A A U G G G U C A G C G SEQRES 46 B 2904 A C U U A U A U U C U G U SEQRES 47 B 2904 A G C A A G G U U A A C C SEQRES 48 B 2904 G A A U A G G G G A G C C SEQRES 49 B 2904 G A A G G G A A A C C G A SEQRES 50 B 2904 G U C U U A A C U G G G C SEQRES 51 B 2904 G U U A A G U U G C A G G SEQRES 52 B 2904 G U A U A G A C C C G A A SEQRES 53 B 2904 A C C C G G U G A U C U A SEQRES 54 B 2904 G C C A U G G G C A G G U SEQRES 55 B 2904 U G A A G G U U G G G U A SEQRES 56 B 2904 A C A C U A A C U G G A G SEQRES 57 B 2904 G A C C G A A C C G A C U SEQRES 58 B 2904 A A U 7MG PSU 5MU G A A A A A U SEQRES 59 B 2904 U A G C G G A U G A C U U SEQRES 60 B 2904 G U G G C U G G G G G U G SEQRES 61 B 2904 A A A G G C C A A U C A A SEQRES 62 B 2904 A C C G G G A G A U A G C SEQRES 63 B 2904 U G G U U C U C C C C G A SEQRES 64 B 2904 A A G C U A U U U A G G U SEQRES 65 B 2904 A G C G C C U C G U G A A SEQRES 66 B 2904 U U C A U C U C C G G G G SEQRES 67 B 2904 G U A G A G C A C U G U U SEQRES 68 B 2904 U C G G C A A G G G G G U SEQRES 69 B 2904 C A U C C C G A C U U A C SEQRES 70 B 2904 C A A C C C G A U G C A A SEQRES 71 B 2904 A C U G C G A A U A C C G SEQRES 72 B 2904 G A G A A U G U U A U C A SEQRES 73 B 2904 C G G G A G A C A C A C G SEQRES 74 B 2904 G C G G G U G C U A A C G SEQRES 75 B 2904 U C C G U C G U G A A G A SEQRES 76 B 2904 G G G A A A C A A C C C A SEQRES 77 B 2904 G A C C G C C A G C U A A SEQRES 78 B 2904 G G U C C C A A A G U C A SEQRES 79 B 2904 U G G U U A A G U G G G A SEQRES 80 B 2904 A A C G A U G U G G G A A SEQRES 81 B 2904 G G C C C A G A C A G C C SEQRES 82 B 2904 A G G A U G U U G G C U U SEQRES 83 B 2904 A G A A G C A G C C A U C SEQRES 84 B 2904 A U U U A A A G A A A G C SEQRES 85 B 2904 G U A A U A G C U C A C U SEQRES 86 B 2904 G G U C G A G U C G G C C SEQRES 87 B 2904 U G C G C G G A A G A U G SEQRES 88 B 2904 U A A C G G G G C U A A A SEQRES 89 B 2904 C C A U G C A C C G A A G SEQRES 90 B 2904 C U G C G G C A G C G A C SEQRES 91 B 2904 G C U U A U G C G U U G U SEQRES 92 B 2904 U G G G U A G G G G A G C SEQRES 93 B 2904 G U U C U G U A A G C C U SEQRES 94 B 2904 G C G A A G G U G U G C U SEQRES 95 B 2904 G U G A G G C A U G C U G SEQRES 96 B 2904 G A G G U A U C A G A A G SEQRES 97 B 2904 U G C G A A U G C U G A C SEQRES 98 B 2904 A U A A G U A A C G A U A SEQRES 99 B 2904 A A G C G G G U G A A A A SEQRES 10 B 2904 G C C C G C U C G C C G G SEQRES 10 B 2904 A A G A C C A A G G G U U SEQRES 10 B 2904 C C U G U C C A A C G U U SEQRES 10 B 2904 A A U C G G G G C A G G G SEQRES 10 B 2904 U G A G U C G A C C C C U SEQRES 10 B 2904 A A G G C G A G G C C G A SEQRES 10 B 2904 A A G G C G U A G U C G A SEQRES 10 B 2904 U G G G A A A C A G G U U SEQRES 10 B 2904 A A U A U U C C U G U A C SEQRES 10 B 2904 U U G G U G U U A C U G C SEQRES 11 B 2904 G A A G G G G G G A C G C SEQRES 11 B 2904 A G A A G G C U A U G U U SEQRES 11 B 2904 G G C C G G G C G A C G G SEQRES 11 B 2904 U U G U C C C G G U U U A SEQRES 11 B 2904 A G C G U G U A G G C U G SEQRES 11 B 2904 G U U U U C C A G G C A A SEQRES 11 B 2904 A U C C G G A A A A U C A SEQRES 11 B 2904 A G G C U G A G G C G U G SEQRES 11 B 2904 A U G A C G A G G C A C U SEQRES 11 B 2904 A C G G U G C U G A A G C SEQRES 12 B 2904 A A C A A A U G C C C U G SEQRES 12 B 2904 C U U C C A G G A A A A G SEQRES 12 B 2904 C C U C U A A G C A U C A SEQRES 12 B 2904 G G U A A C A U C A A A U SEQRES 12 B 2904 C G U A C C C C A A A C C SEQRES 12 B 2904 G A C A C 1MA G G U G G U C SEQRES 12 B 2904 A G G U A G A G A A U A C SEQRES 12 B 2904 C A A G G C G C U U G A G SEQRES 12 B 2904 A G A A C U C G G G U G A SEQRES 12 B 2904 A G G A A C U A G G C A A SEQRES 13 B 2904 A A U G G U G C C G U A A SEQRES 13 B 2904 C U U C G G G A G A A G G SEQRES 13 B 2904 C A C G C U G A U A U G U SEQRES 13 B 2904 A G G U G A G G U C C C U SEQRES 13 B 2904 C G C G G A U G G A G C U SEQRES 13 B 2904 G A A A U C A G U C G A A SEQRES 13 B 2904 G A U A C C A G C U G G C SEQRES 13 B 2904 U G C A A C U G U U U A U SEQRES 13 B 2904 U A A A A A C A C A G C A SEQRES 13 B 2904 C U G U G C A A A C A C G SEQRES 14 B 2904 A A A G U G G A C G U A U SEQRES 14 B 2904 A C G G U G U G A C G C C SEQRES 14 B 2904 U G C C C G G U G C C G G SEQRES 14 B 2904 A A G G U U A A U U G A U SEQRES 14 B 2904 G G G G U U A G C G C A A SEQRES 14 B 2904 G C G A A G C U C U U G A SEQRES 14 B 2904 U C G A A G C C C C G G U SEQRES 14 B 2904 A A A C G G C G G C C G PSU SEQRES 14 B 2904 A A C 5MU A PSU A A C G G U C SEQRES 14 B 2904 C U A A G G U A G C G A A SEQRES 15 B 2904 A 5MU U C C U U G U C G G G SEQRES 15 B 2904 U A A G U U C C G A C C U SEQRES 15 B 2904 G C A C G A A U G G C G U SEQRES 15 B 2904 A A U G A U G G C C A G G SEQRES 15 B 2904 C U G U C U C C A C C C G SEQRES 15 B 2904 A G A C U C A G U G A A A SEQRES 15 B 2904 U U G A A C U C G C U G U SEQRES 15 B 2904 G 1MA A G A U G C A G U G U SEQRES 15 B 2904 A C C C G C G G C A A G A SEQRES 15 B 2904 C G G A A A G A C C C C G SEQRES 16 B 2904 U 7MG A A C C U U U A C U A SEQRES 16 B 2904 U A G C U U G A C A C U G SEQRES 16 B 2904 A A C A U U G A G C C U U SEQRES 16 B 2904 G A U G U G U A G G A U A SEQRES 16 B 2904 G G U G G G A G G C U U U SEQRES 16 B 2904 G A A G U G U G G A C G C SEQRES 16 B 2904 C A G U C U G C A U G G A SEQRES 16 B 2904 G C C G A C C U U G A A A SEQRES 16 B 2904 U A C C A C C C U U U A A SEQRES 16 B 2904 U G U U U G A U G U U C U SEQRES 17 B 2904 A A C G U U G A C C C G U SEQRES 17 B 2904 A A U C C G G G U U G C G SEQRES 17 B 2904 G A C A G U G U C U G G U SEQRES 17 B 2904 G G G U A G U U U G A C U SEQRES 17 B 2904 G 7MG G G C G G U C U C C U SEQRES 17 B 2904 C C U A A A G A G U A A C SEQRES 17 B 2904 G G A G G A G C A C G A A SEQRES 17 B 2904 G G U U G G C U A A U C C SEQRES 17 B 2904 U G G U C G G A C A U C A SEQRES 17 B 2904 G G A G G U U A G U G C A SEQRES 18 B 2904 A U G G C A U A A G C C A SEQRES 18 B 2904 G C U U G A C U G C G A G SEQRES 18 B 2904 C G U G A C G G C G C G A SEQRES 18 B 2904 G C A G G U G C G A A A G SEQRES 18 B 2904 C A G G U C A U A G U G A SEQRES 18 B 2904 U C C G G U G G U U C U G SEQRES 18 B 2904 A A U G G A A G G G C C A SEQRES 18 B 2904 U C G C U C A A C G G A U SEQRES 18 B 2904 A A A A G G U A C U C C G SEQRES 18 B 2904 G G G A 5MU A A C A G G C U SEQRES 19 B 2904 G A U A C C G C C C A A G SEQRES 19 B 2904 A G U U C A U A U C G A C SEQRES 19 B 2904 G G C G G U G U U U G G C SEQRES 19 B 2904 A 5MC C U C G A U G U C G G SEQRES 19 B 2904 C U C A U C A C A U C C U SEQRES 19 B 2904 G G G G C U G A A G U A G SEQRES 19 B 2904 G U C C C A A G G G U A U SEQRES 19 B 2904 G G C U G U U C G C C A U SEQRES 19 B 2904 U U A A A G U G G U A C G SEQRES 19 B 2904 C G A G C U G G G U U U A SEQRES 20 B 2904 G A A C G U C G U G A G A SEQRES 20 B 2904 C A G U U C G G U C C C U SEQRES 20 B 2904 A U C U G C C G U G G G C SEQRES 20 B 2904 G C U G G A G A A C U G A SEQRES 20 B 2904 G G G G G G C U G C U C C SEQRES 20 B 2904 U A G U A C G A G A G G A SEQRES 20 B 2904 C C G G A G U G G A C G C SEQRES 20 B 2904 A U C A C U G G U G U U C SEQRES 20 B 2904 G G G U U G U C A U G C C SEQRES 20 B 2904 A A U G G C A C U G C C C SEQRES 21 B 2904 G G U A G C U A A A U G C SEQRES 21 B 2904 G G A A G A G A U A A G U SEQRES 21 B 2904 G C U G A A A G C A U C U SEQRES 21 B 2904 A A G C A C G A A A C U U SEQRES 21 B 2904 G C C C C G A G A U G A G SEQRES 21 B 2904 U U C U C C C U G A C C C SEQRES 21 B 2904 U U U A A G G G U C C U G SEQRES 21 B 2904 A A G G A A C G U U G A A SEQRES 21 B 2904 G A C G A C G A C G U U G SEQRES 21 B 2904 A U A G G C C G G G U G U SEQRES 22 B 2904 G U A A G C G C A G C G A SEQRES 22 B 2904 U G C G U U G A G C U A A SEQRES 22 B 2904 C C G G U A C U A A U G A SEQRES 22 B 2904 A C C G U G A G G C U U A SEQRES 22 B 2904 A C C U U MODRES 1C2W 7MG B 745 MODRES 1C2W PSU B 746 PSEUDOURIDINE MODRES 1C2W 5MU B 747 5-METHYLURIDINE 5'-MONOPHOSPHATE MODRES 1C2W 1MA B 1618 MODRES 1C2W PSU B 1911 PSEUDOURIDINE MODRES 1C2W 5MU B 1915 5-METHYLURIDINE 5'-MONOPHOSPHATE MODRES 1C2W PSU B 1917 PSEUDOURIDINE MODRES 1C2W 5MU B 1939 5-METHYLURIDINE 5'-MONOPHOSPHATE MODRES 1C2W 1MA B 2030 MODRES 1C2W 7MG B 2069 MODRES 1C2W 7MG B 2251 MODRES 1C2W 5MU B 2449 5-METHYLURIDINE 5'-MONOPHOSPHATE MODRES 1C2W 5MC B 2498 5-METHYLCYTIDINE-5'-MONOPHOSPHATE HET 7MG B 745 24 HET PSU B 746 20 HET 5MU B 747 21 HET 1MA B1618 23 HET PSU B1911 20 HET 5MU B1915 21 HET PSU B1917 20 HET 5MU B1939 21 HET 1MA B2030 23 HET 7MG B2069 24 HET 7MG B2251 24 HET 5MU B2449 21 HET 5MC B2498 21 HETNAM 7MG 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE HETNAM PSU PSEUDOURIDINE-5'-MONOPHOSPHATE HETNAM 5MU 5-METHYLURIDINE 5'-MONOPHOSPHATE HETNAM 1MA 6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE HETNAM 5MC 5-METHYLCYTIDINE-5'-MONOPHOSPHATE FORMUL 1 7MG 3(C11 H18 N5 O8 P1) FORMUL 1 PSU 3(C9 H13 N2 O9 P1) FORMUL 1 5MU 4(C10 H15 N2 O9 P1) FORMUL 1 1MA 2(C11 H18 N5 O7 P1) FORMUL 1 5MC C10 H16 N3 O8 P1 HELIX 1 H1 G B 1 C B 8 1H1 8 HELIX 2 H1 G B 2895 C B 2902 1H1 8 HELIX 3 H2 C B 16 U B 25 1H2 10 HELIX 4 H2 A B 515 G B 524 1H2 10 HELIX 5 H3 U B 29 C B 32 1H3 4 HELIX 6 H3 G B 473 G B 476 1H3 4 HELIX 7 H4D G B 35 G B 36 1H4D1 2 HELIX 8 H4D C B 444 C B 445 1H4D1 2 HELIX 9 H4D C B 37 G B 43 1H4D2 7 HELIX 10 H4D C B 436 G B 442 1H4D2 7 HELIX 11 H4D A B 44 G B 45 1H4D3 2 HELIX 12 H4D C B 433 U B 434 1H4D3 2 HELIX 13 H5 G B 54 A B 56 1H5 3 HELIX 14 H5 U B 114 C B 116 1H5 3 HELIX 15 H6 C B 57 U B 59 1H6 3 HELIX 16 H6 G B 68 G B 70 1H6 3 HELIX 17 H6T C B 61 C B 61 1H6T1 1 HELIX 18 H6T G B 93 G B 93 1H6T1 1 HELIX 19 H6T U B 65 C B 66 1H6T2 2 HELIX 20 H6T G B 88 A B 89 1H6T2 2 HELIX 21 H6T U B 67 U B 67 1H6T3 1 HELIX 22 H6T A B 74 A B 74 1H6T3 1 HELIX 23 H7D C B 76 U B 82 1H7D1 7 HELIX 24 H7D A B 104 G B 110 1H7D1 7 HELIX 25 H7D G B 85 U B 87 1H7D2 3 HELIX 26 H7D A B 95 C B 97 1H7D2 3 HELIX 27 H8 G B 121 G B 123 1H8 3 HELIX 28 H8 C B 128 C B 130 1H8 3 HELIX 29 H9 A B 131 U B 137 1H9 7 HELIX 30 H9 A B 142 U B 148 1H9 7 HELIX 31 H10 U B 150 C B 157 1H10D1 8 HELIX 32 H10 G B 169 A B 176 1H10D1 8 HELIX 33 H10 U B 158 G B 159 1H10D2 2 HELIX 34 H10 U B 166 A B 167 1H10D2 2 HELIX 35 H11 C B 184 G B 188 1H11D1 5 HELIX 36 H11 C B 208 G B 212 1H11D1 5 HELIX 37 H11 A B 191 U B 193 1H11D2 3 HELIX 38 H11 A B 204 U B 206 1H11D2 3 HELIX 39 H11 G B 194 A B 195 1H11D3 2 HELIX 40 H11 U B 200 C B 201 1H11D3 2 HELIX 41 H12 U B 224 C B 225 1H12 2 HELIX 42 H12 G B 230 A B 231 1H12 2 HELIX 43 H13 U B 235 C B 239 1H13D1 5 HELIX 44 H13 G B 258 A B 262 1H13D1 5 HELIX 45 H13 G B 245 C B 246 1H13D2 2 HELIX 46 H13 G B 252 C B 253 1H13D2 2 HELIX 47 H13 U B 234 U B 234 1H13A 1 HELIX 48 H13 A B 430 A B 430 1H13A 1 HELIX 49 H14 A B 265 C B 268 1H14 4 HELIX 50 H14 G B 424 U B 427 1H14 4 HELIX 51 H16 G B 271 C B 274 1H16 4 HELIX 52 H16 G B 363 C B 366 1H16 4 HELIX 53 H18 C B 281 U B 293 1H18D1 13 HELIX 54 H18 A B 347 G B 359 1H18D1 13 HELIX 55 H18 G B 295 G B 297 1H18D2 3 HELIX 56 H18 C B 341 C B 343 1H18D2 3 HELIX 57 H19 G B 301 U B 306 1H19 6 HELIX 58 H19 A B 311 C B 316 1H19 6 HELIX 59 H19 G B 317 C B 318 1H19T 2 HELIX 60 H19 G B 333 C B 334 1H19T 2 HELIX 61 H19 G B 319 G B 319 1H19A 1 HELIX 62 H19 C B 323 C B 323 1H19A 1 HELIX 63 H20 G B 325 G B 327 1H20 3 HELIX 64 H20 C B 335 C B 337 1H20 3 HELIX 65 H21 G B 375 A B 382 1H21 8 HELIX 66 H21 U B 392 U B 399 1H21 8 HELIX 67 H22 G B 406 G B 410 1H22 5 HELIX 68 H22 C B 417 C B 421 1H22 5 HELIX 69 H22 C B 413 U B 416 1H22T 4 HELIX 70 H22 A B 2407 G B 2410 1H22T 4 HELIX 71 H23 C B 461 C B 462 1H23 2 HELIX 72 H23 G B 467 G B 468 1H23 2 HELIX 73 H24 C B 484 C B 487 1H24 4 HELIX 74 H24 G B 493 G B 496 1H24 4 HELIX 75 H25 G B 533 G B 536 1H25D1 4 HELIX 76 H25 C B 557 C B 560 1H25D1 4 HELIX 77 H25 G B 539 C B 544 1H25D2 6 HELIX 78 H25 G B 549 U B 554 1H25D2 6 HELIX 79 H26 G B 579 C B 584 1H26 6 HELIX 80 H26 G B 1256 C B 1261 1H26 6 HELIX 81 H27 U B 589 C B 601 1H27 13 HELIX 82 H27 G B 656 A B 668 1H27 13 HELIX 83 H28 G B 604 U B 607 1H28D1 4 HELIX 84 H28 A B 621 C B 624 1H28D1 4 HELIX 85 H28 C B 610 C B 611 1H28D2 2 HELIX 86 H28 G B 617 G B 618 1H28D2 2 HELIX 87 H29 G B 628 G B 629 1H29 2 HELIX 88 H29 C B 634 C B 635 1H29 2 HELIX 89 H30 G B 638 U B 641 1H30 4 HELIX 90 H30 G B 647 C B 650 1H30 4 HELIX 91 H32 C B 671 C B 672 1H32D1 2 HELIX 92 H32 G B 808 G B 809 1H32D1 2 HELIX 93 H32 C B 678 U B 683 1H32D2 6 HELIX 94 H32 A B 794 G B 799 1H32D2 6 HELIX 95 H33 C B 687 G B 697 1H33D1 11 HELIX 96 H33 C B 765 G B 775 1H33D1 11 HELIX 97 H33 C B 698 C B 698 1H33D2 1 HELIX 98 H33 G B 763 G B 763 1H33D2 1 HELIX 99 H34 G B 700 U B 703 1H34D1 4 HELIX 100 H34 G B 729 C B 732 1H34D1 4 HELIX 101 H34 G B 707 G B 712 1H34D2 6 HELIX 102 H34 C B 719 U B 724 1H34D2 6 HELIX 103 H35 C B 736 G B 738 1H35D1 3 HELIX 104 H35 C B 758 G B 760 1H35D1 3 HELIX 105 H35 C B 740 U B 744 1H35D2 5 HELIX 106 H35 A B 753 G B 757 1H35D2 5 HELIX 107 H35 G B 777 G B 778 1H35A 2 HELIX 108 H35 C B 786 C B 787 1H35A 2 HELIX 109 H36 C B 812 C B 817 1H36 6 HELIX 110 H36 G B 1190 G B 1195 1H36 6 HELIX 111 H37 G B 822 U B 826 1H37 5 HELIX 112 H37 G B 831 C B 835 1H37 5 HELIX 113 H38 C B 838 A B 844 1H38D1 7 HELIX 114 H38 U B 934 G B 940 1H38D1 7 HELIX 115 H38 C B 848 U B 850 1H38D2 3 HELIX 116 H38 A B 928 G B 930 1H38D2 3 HELIX 117 H38 C B 851 G B 856 1H38D3 6 HELIX 118 H38 C B 921 G B 926 1H38D3 6 HELIX 119 H38 G B 858 G B 858 1H38D4 1 HELIX 120 H38 U B 919 U B 919 1H38D4 1 HELIX 121 H38 U B 860 U B 860 1H38D5 1 HELIX 122 H38 A B 917 A B 917 1H38D5 1 HELIX 123 H38 G B 862 G B 862 1H38D6 1 HELIX 124 H38 C B 915 C B 915 1H38D6 1 HELIX 125 H38 U B 868 U B 870 1H38D7 3 HELIX 126 H38 G B 907 A B 909 1H38D7 3 HELIX 127 H38 U B 872 G B 875 1H38D8 4 HELIX 128 H38 C B 902 A B 905 1H38D8 4 HELIX 129 H38 G B 879 G B 880 1H38D9 2 HELIX 130 H38 C B 897 C B 898 1H38D9 2 HELIX 131 H38 G B 881 C B 885 1H38D10 5 HELIX 132 H38 G B 891 U B 895 1H38D10 5 HELIX 133 H39 C B 946 U B 955 1H39 10 HELIX 134 H39 G B 962 G B 971 1H39 10 HELIX 135 H40 G B 976 G B 978 1H40 3 HELIX 136 H40 C B 985 C B 987 1H40 3 HELIX 137 H41 C B 991 C B 994 1H41D1 4 HELIX 138 H41 G B 1160 G B 1163 1H41D1 4 HELIX 139 H41 A B 996 U B 999 1H41D2 4 HELIX 140 H41 A B 1156 U B 1159 1H41D2 4 HELIX 141 H41 G B 1002 U B 1004 1H41D3 3 HELIX 142 H41 A B 1151 C B 1153 1H41D3 3 HELIX 143 H41 G B 1011 G B 1011 1H41D4 1 HELIX 144 H41 C B 1150 C B 1150 1H41D4 1 HELIX 145 H41 C B 1013 U B 1019 1H41D5 7 HELIX 146 H41 A B 1143 G B 1149 1H41D5 7 HELIX 147 H41 C B 1005 C B 1006 1H41T 2 HELIX 148 H41 G B 1137 G B 1138 1H41T 2 HELIX 149 H42 C B 1030 G B 1031 1H42D1 2 HELIX 150 H42 C B 1123 G B 1124 1H42D1 2 HELIX 151 H42 G B 1034 G B 1038 1H42D2 5 HELIX 152 H42 C B 1117 C B 1121 1H42D2 5 HELIX 153 H42 G B 1041 C B 1043 1H42D3 3 HELIX 154 H42 G B 1112 C B 1114 1H42D3 3 HELIX 155 H42 G B 1051 G B 1055 1H42D4 5 HELIX 156 H42 C B 1104 U B 1108 1H42D4 5 HELIX 157 H43 A B 1057 G B 1059 1H43D1 3 HELIX 158 H43 C B 1079 U B 1081 1H43D1 3 HELIX 159 H43 U B 1061 C B 1064 1H43D2 4 HELIX 160 H43 G B 1074 A B 1077 1H43D2 4 HELIX 161 H44 G B 1087 A B 1088 1H44D1 2 HELIX 162 H44 U B 1101 C B 1102 1H44D1 2 HELIX 163 H44 G B 1091 C B 1092 1H44D2 2 HELIX 164 H44 G B 1099 C B 1100 1H44D2 2 HELIX 165 H45 C B 1164 C B 1172 1H45 9 HELIX 166 H45 G B 1177 G B 1185 1H45 9 HELIX 167 H46 U B 1198 G B 1202 1H46D1 5 HELIX 168 H46 C B 1243 A B 1247 1H46D1 5 HELIX 169 H46 G B 1206 U B 1209 1H46D2 4 HELIX 170 H46 A B 1237 U B 1240 1H46D2 4 HELIX 171 H46 G B 1215 U B 1222 1H46D3 8 HELIX 172 H46 G B 1227 U B 1234 1H46D3 8 HELIX 173 H61 A B 1262 A B 1262 1H61AD1 1 HELIX 174 H61 U B 2017 U B 2017 1H61AD1 1 HELIX 175 H61 A B 1269 C B 1270 1H61AD2 2 HELIX 176 H61 G B 2010 U B 2011 1H61AD2 2 HELIX 177 H47 A B 1276 G B 1281 1H47 6 HELIX 178 H47 C B 1289 U B 1294 1H47 6 HELIX 179 H48 C B 1295 C B 1298 1H48 4 HELIX 180 H48 G B 1642 G B 1645 1H48 4 HELIX 181 H49 G B 1303 A B 1307 1H49 5 HELIX 182 H49 U B 1621 C B 1625 1H49 5 HELIX 183 H50 U B 1313 C B 1320 1H50D1 8 HELIX 184 H50 G B 1332 G B 1339 1H50D1 8 HELIX 185 H50 C B 1323 G B 1324 1H50D2 2 HELIX 186 H50 C B 1330 G B 1331 1H50D2 2 HELIX 187 H51 C B 1345 A B 1347 1H51 3 HELIX 188 H51 U B 1599 G B 1601 1H51 3 HELIX 189 H51 G B 1343 U B 1344 1H51T 2 HELIX 190 H51 A B 1403 C B 1404 1H51T 2 HELIX 191 H52 C B 1349 C B 1351 1H52D1 3 HELIX 192 H52 G B 1380 G B 1382 1H52D1 3 HELIX 193 H52 G B 1355 C B 1357 1H52D2 3 HELIX 194 H52 G B 1374 C B 1376 1H52D2 3 HELIX 195 H52 G B 1361 C B 1363 1H52D3 3 HELIX 196 H52 G B 1368 C B 1370 1H52D3 3 HELIX 197 H53 A B 1385 G B 1389 1H53 5 HELIX 198 H53 C B 1398 U B 1402 1H53 5 HELIX 199 H54 U B 1405 U B 1415 1H54D1 11 HELIX 200 H54 G B 1587 A B 1597 1H54D1 11 HELIX 201 H54 A B 1420 G B 1424 1H54D2 5 HELIX 202 H54 C B 1574 U B 1578 1H54D2 5 HELIX 203 H56 G B 1429 G B 1432 1H56D1 4 HELIX 204 H56 C B 1561 C B 1564 1H56D1 4 HELIX 205 H56 G B 1435 C B 1437 1H56D2 3 HELIX 206 H56 G B 1555 C B 1557 1H56D2 3 HELIX 207 H56 U B 1440 G B 1444 1H56D3 5 HELIX 208 H56 C B 1547 A B 1551 1H56D3 5 HELIX 209 H57 C B 1446 G B 1450 1H57 5 HELIX 210 H57 C B 1461 G B 1465 1H57 5 HELIX 211 H58 G B 1471 U B 1474 1H58D1 4 HELIX 212 H58 G B 1517 U B 1520 1H58D1 4 HELIX 213 H58 G B 1478 C B 1480 1H58D2 3 HELIX 214 H58 G B 1511 U B 1513 1H58D2 3 HELIX 215 H58 U B 1481 C B 1489 1H58D3 9 HELIX 216 H58 G B 1500 A B 1508 1H58D3 9 HELIX 217 H58 G B 1491 G B 1492 1H58D4 2 HELIX 218 H58 C B 1498 C B 1499 1H58D4 2 HELIX 219 H59 G B 1529 C B 1533 1H59 5 HELIX 220 H59 G B 1538 U B 1542 1H59 5 HELIX 221 H59 C B 1611 C B 1612 1H59A 2 HELIX 222 H59 G B 1619 G B 1620 1H59A 2 HELIX 223 H60 G B 1627 A B 1630 1H60 4 HELIX 224 H60 U B 1636 C B 1639 1H60 4 HELIX 225 H61 U B 1648 G B 1651 1H61D1 4 HELIX 226 H61 C B 2006 A B 2009 1H61D1 4 HELIX 227 H61 C B 1656 G B 1663 1H61D2 8 HELIX 228 H61 C B 1997 G B 2004 1H61D2 8 HELIX 229 H61 A B 1665 G B 1667 1H61D3 3 HELIX 230 H61 U B 1993 U B 1995 1H61D3 3 HELIX 231 H61 A B 1669 A B 1669 1H61D4 1 HELIX 232 H61 U B 1991 U B 1991 1H61D4 1 HELIX 233 H62 G B 1682 C B 1686 1H62 5 HELIX 234 H62 G B 1702 C B 1706 1H62 5 HELIX 235 H63 G B 1707 U B 1712 1H63D1 6 HELIX 236 H63 A B 1746 U B 1751 1H63D1 6 HELIX 237 H63 U B 1716 G B 1718 1H63D2 3 HELIX 238 H63 C B 1741 G B 1743 1H63D2 3 HELIX 239 H63 G B 1724 C B 1727 1H63D3 4 HELIX 240 H63 G B 1733 U B 1736 1H63D3 4 HELIX 241 H64 C B 1764 G B 1770 1H64D1 7 HELIX 242 H64 U B 1982 G B 1988 1H64D1 7 HELIX 243 H64 C B 1771 A B 1772 1H64D2 2 HELIX 244 H64 U B 1979 G B 1980 1H64D2 2 HELIX 245 H65 U B 1775 U B 1779 1H65 5 HELIX 246 H65 A B 1785 A B 1789 1H65 5 HELIX 247 H66 G B 1792 G B 1799 1H66D1 8 HELIX 248 H66 U B 1820 U B 1827 1H66D1 8 HELIX 249 H66 C B 1804 C B 1806 1H66D2 3 HELIX 250 H66 G B 1811 G B 1813 1H66D2 3 HELIX 251 H67 A B 1829 C B 1833 1H67 5 HELIX 252 H67 G B 1972 U B 1976 1H67 5 HELIX 253 H68 G B 1835 C B 1837 1H68D1 3 HELIX 254 H68 G B 1903 C B 1905 1H68D1 3 HELIX 255 H68 G B 1840 U B 1841 1H68D2 2 HELIX 256 H68 A B 1901 C B 1902 1H68D2 2 HELIX 257 H68 G B 1842 G B 1846 1H68D3 5 HELIX 258 H68 C B 1894 U B 1898 1H68D3 5 HELIX 259 H68 G B 1849 G B 1850 1H68D4 2 HELIX 260 H68 C B 1892 C B 1893 1H68D4 2 HELIX 261 H68 G B 1860 U B 1865 1H68D5 6 HELIX 262 H68 A B 1877 U B 1882 1H68D5 6 HELIX 263 H68 G B 1867 C B 1868 1H68D6 2 HELIX 264 H68 G B 1873 C B 1874 1H68D6 2 HELIX 265 H69 G B 1906 PSU B 1911 1H69 6 HELIX 266 H69 A B 1919 C B 1924 1H69 6 HELIX 267 H71 G B 1945 G B 1950 1H71 6 HELIX 268 H71 U B 1956 C B 1961 1H71 6 HELIX 269 H72 C B 2023 G B 2027 1H72 5 HELIX 270 H72 C B 2036 G B 2040 1H72 5 HELIX 271 H73 C B 2043 C B 2050 1H73D1 8 HELIX 272 H73 G B 2618 G B 2625 1H73D1 8 HELIX 273 H73 A B 2052 A B 2054 1H73D2 3 HELIX 274 H73 U B 2615 U B 2617 1H73D2 3 HELIX 275 H73 G B 2056 G B 2057 1H73D3 2 HELIX 276 H73 C B 2611 C B 2612 1H73D3 2 HELIX 277 H74 C B 2063 G B 2067 1H74D1 5 HELIX 278 H74 C B 2443 G B 2447 1H74D1 5 HELIX 279 H74 7MG B 2069 A B 2070 1H74D2 2 HELIX 280 H74 U B 2441 C B 2442 1H74D2 2 HELIX 281 H74 A B 2071 U B 2075 1H74D3 5 HELIX 282 H74 A B 2434 U B 2438 1H74D3 5 HELIX 283 H75 A B 2077 U B 2081 1H75D1 5 HELIX 284 H75 G B 2239 U B 2243 1H75D1 5 HELIX 285 H75 G B 2083 U B 2085 1H75D2 3 HELIX 286 H75 G B 2234 U B 2236 1H75D2 3 HELIX 287 H75 G B 2087 U B 2092 1H75D3 6 HELIX 288 H75 A B 2227 C B 2232 1H75D3 6 HELIX 289 H76 G B 2093 C B 2103 1H76D1 11 HELIX 290 H76 G B 2186 C B 2196 1H76D1 11 HELIX 291 H76 U B 2105 A B 2108 1H76D2 4 HELIX 292 H76 U B 2181 A B 2184 1H76D2 4 HELIX 293 H77 G B 2120 G B 2124 1H77 5 HELIX 294 H77 C B 2174 C B 2178 1H77 5 HELIX 295 H78 G B 2127 C B 2129 1H78D1 3 HELIX 296 H78 G B 2159 C B 2161 1H78D1 3 HELIX 297 H78 G B 2136 C B 2143 1H78D2 8 HELIX 298 H78 G B 2148 U B 2155 1H78D2 8 HELIX 299 H79 C B 2200 U B 2202 1H79D1 3 HELIX 300 H79 G B 2221 G B 2223 1H79D1 3 HELIX 301 H79 G B 2204 G B 2209 1H79D2 6 HELIX 302 H79 C B 2215 U B 2220 1H79D2 6 HELIX 303 H80 G B 2246 G B 2250 1H80 5 HELIX 304 H80 C B 2254 C B 2258 1H80 5 HELIX 305 H81 U B 2259 C B 2264 1H81 6 HELIX 306 H81 G B 2276 A B 2281 1H81 6 HELIX 307 H82 A B 2284 C B 2285 1H82 2 HELIX 308 H82 G B 2383 U B 2384 1H82 2 HELIX 309 H83 A B 2288 U B 2296 1H83 9 HELIX 310 H83 A B 2336 U B 2344 1H83 9 HELIX 311 H84 A B 2297 A B 2297 1H84D1 1 HELIX 312 H84 U B 2321 U B 2321 1H84D1 1 HELIX 313 H84 U B 2299 G B 2304 1H84D2 6 HELIX 314 H84 U B 2312 A B 2317 1H84D2 6 HELIX 315 H85 G B 2323 U B 2324 1H85 2 HELIX 316 H85 G B 2331 C B 2332 1H85 2 HELIX 317 H85 A B 2328 G B 2330 1H85T 3 HELIX 318 H85 C B 2385 U B 2387 1H85T 3 HELIX 319 H86 C B 2347 C B 2350 1H86D1 4 HELIX 320 H86 G B 2367 G B 2370 1H86D1 4 HELIX 321 H86 G B 2353 G B 2355 1H86D2 3 HELIX 322 H86 C B 2362 C B 2364 1H86D2 3 HELIX 323 H87 U B 2372 C B 2374 1H87 3 HELIX 324 H87 G B 2379 A B 2381 1H87 3 HELIX 325 H88 C B 2395 U B 2404 1H88 10 HELIX 326 H88 A B 2412 G B 2421 1H88 10 HELIX 327 H89 G B 2455 U B 2457 1H89D1 3 HELIX 328 H89 G B 2494 C B 2496 1H89D1 3 HELIX 329 H89 G B 2458 C B 2466 1H89D2 9 HELIX 330 H89 G B 2484 U B 2492 1H89D2 9 HELIX 331 H89 G B 2470 A B 2471 1H89D3 2 HELIX 332 H89 U B 2479 C B 2480 1H89D3 2 HELIX 333 H90 U B 2506 C B 2512 1H90D1 7 HELIX 334 H90 G B 2576 G B 2582 1H90D1 7 HELIX 335 H90 A B 2513 C B 2517 1H90D2 5 HELIX 336 H90 G B 2567 U B 2571 1H90D2 5 HELIX 337 H91 A B 2518 C B 2521 1H91D1 4 HELIX 338 H91 G B 2543 U B 2546 1H91D1 4 HELIX 339 H91 U B 2522 U B 2528 1H91D2 7 HELIX 340 H91 G B 2535 A B 2541 1H91D2 7 HELIX 341 H92 A B 2547 C B 2551 1H92 5 HELIX 342 H92 G B 2557 U B 2561 1H92 5 HELIX 343 H93 G B 2588 C B 2591 1H93D1 4 HELIX 344 H93 G B 2603 C B 2606 1H93D1 4 HELIX 345 H93 G B 2592 C B 2594 1H93D2 3 HELIX 346 H93 G B 2599 C B 2601 1H93D2 3 HELIX 347 H94 G B 2630 U B 2637 1H94D1 8 HELIX 348 H94 A B 2781 C B 2788 1H94D1 8 HELIX 349 H94 G B 2640 G B 2643 1H94D2 4 HELIX 350 H94 C B 2771 C B 2774 1H94D2 4 HELIX 351 H95 C B 2646 C B 2652 1H95 7 HELIX 352 H95 G B 2668 G B 2674 1H95 7 HELIX 353 H96 C B 2676 U B 2680 1H96D1 5 HELIX 354 H96 A B 2727 G B 2731 1H96D1 5 HELIX 355 H96 C B 2691 U B 2695 1H96D2 5 HELIX 356 H96 G B 2714 G B 2718 1H96D2 5 HELIX 357 H96 U B 2696 U B 2701 1H96D3 6 HELIX 358 H96 A B 2706 A B 2711 1H96D3 6 HELIX 359 H97 G B 2735 G B 2737 1H97D1 3 HELIX 360 H97 C B 2767 U B 2769 1H97D1 3 HELIX 361 H97 G B 2742 U B 2746 1H97D2 5 HELIX 362 H97 A B 2758 C B 2762 1H97D2 5 HELIX 363 H98 G B 2791 U B 2796 1H98 6 HELIX 364 H98 A B 2800 C B 2805 1H98 6 HELIX 365 H99 G B 2811 G B 2812 1H99 2 HELIX 366 H99 C B 2888 C B 2889 1H99 2 HELIX 367 H10 A B 2813 G B 2819 1H100 7 HELIX 368 H10 C B 2827 U B 2833 1H100 7 HELIX 369 H10 U B 2836 G B 2838 1H101D1 3 HELIX 370 H10 C B 2880 A B 2882 1H101D1 3 HELIX 371 H10 G B 2839 G B 2843 1H101D2 5 HELIX 372 H10 C B 2874 U B 2878 1H101D2 5 HELIX 373 H10 A B 2851 A B 2856 1H101D3 6 HELIX 374 H10 U B 2861 U B 2866 1H101D3 6 LINK O3* U B 744 P 7MG B 745 LINK O3* 7MG B 745 P PSU B 746 LINK O3* PSU B 746 P 5MU B 747 LINK O3* 5MU B 747 P G B 748 LINK O3* C B1617 P 1MA B1618 LINK O3* 1MA B1618 P G B1619 LINK O3* G B1910 P PSU B1911 LINK O3* PSU B1911 P A B1912 LINK O3* C B1914 P 5MU B1915 LINK O3* 5MU B1915 P A B1916 LINK O3* A B1916 P PSU B1917 LINK O3* PSU B1917 P A B1918 LINK O3* A B1938 P 5MU B1939 LINK O3* 5MU B1939 P U B1940 LINK O3* G B2029 P 1MA B2030 LINK O3* 1MA B2030 P A B2031 LINK O3* U B2068 P 7MG B2069 LINK O3* 7MG B2069 P A B2070 LINK O3* G B2250 P 7MG B2251 LINK O3* 7MG B2251 P G B2252 LINK O3* A B2448 P 5MU B2449 LINK O3* 5MU B2449 P A B2450 LINK O3* A B2497 P 5MC B2498 LINK O3* 5MC B2498 P C B2499 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 O3P G B 1 110.249 -20.118 49.250 1.00 0.00 O ATOM 2 P G B 1 108.894 -19.343 48.897 1.00 0.00 P ATOM 3 O1P G B 1 108.826 -19.099 47.440 1.00 0.00 O ATOM 4 O2P G B 1 107.740 -20.066 49.484 1.00 0.00 O ATOM 5 O5* G B 1 109.115 -18.020 49.627 1.00 0.00 O ATOM 6 C5* G B 1 109.304 -18.042 51.052 1.00 0.00 C ATOM 7 C4* G B 1 109.622 -16.646 51.552 1.00 0.00 C ATOM 8 O4* G B 1 110.934 -16.252 51.053 1.00 0.00 O ATOM 9 C3* G B 1 108.692 -15.533 51.063 1.00 0.00 C ATOM 10 O3* G B 1 107.544 -15.441 51.850 1.00 0.00 O ATOM 11 C2* G B 1 109.583 -14.299 51.176 1.00 0.00 C ATOM 12 O2* G B 1 109.699 -13.883 52.525 1.00 0.00 O ATOM 13 C1* G B 1 110.943 -14.865 50.769 1.00 0.00 C ATOM 14 N9 G B 1 111.253 -14.693 49.322 1.00 0.00 N ATOM 15 C8 G B 1 111.252 -15.634 48.315 1.00 0.00 C ATOM 16 N7 G B 1 111.573 -15.154 47.137 1.00 0.00 N ATOM 17 C5 G B 1 111.802 -13.799 47.381 1.00 0.00 C ATOM 18 C6 G B 1 112.182 -12.765 46.491 1.00 0.00 C ATOM 19 O6 G B 1 112.399 -12.823 45.284 1.00 0.00 O ATOM 20 N1 G B 1 112.304 -11.536 47.159 1.00 0.00 N ATOM 21 C2 G B 1 112.086 -11.336 48.509 1.00 0.00 C ATOM 22 N2 G B 1 112.254 -10.091 48.954 1.00 0.00 N ATOM 23 N3 G B 1 111.731 -12.311 49.343 1.00 0.00 N ATOM 24 C4 G B 1 111.607 -13.510 48.712 1.00 0.00 C ATOM 25 P G B 2 106.141 -15.006 51.141 1.00 0.00 P ATOM 26 O1P G B 2 105.000 -15.317 52.026 1.00 0.00 O ATOM 27 O2P G B 2 106.077 -15.589 49.780 1.00 0.00 O ATOM 28 O5* G B 2 106.335 -13.421 51.043 1.00 0.00 O ATOM 29 C5* G B 2 106.510 -12.663 52.252 1.00 0.00 C ATOM 30 C4* G B 2 106.797 -11.213 51.921 1.00 0.00 C ATOM 31 O4* G B 2 108.105 -11.125 51.283 1.00 0.00 O ATOM 32 C3* G B 2 105.854 -10.560 50.909 1.00 0.00 C ATOM 33 O3* G B 2 104.700 -10.083 51.523 1.00 0.00 O ATOM 34 C2* G B 2 106.721 -9.444 50.335 1.00 0.00 C ATOM 35 O2* G B 2 106.816 -8.362 51.244 1.00 0.00 O ATOM 36 C1* G B 2 108.092 -10.111 50.290 1.00 0.00 C ATOM 37 N9 G B 2 108.411 -10.742 48.980 1.00 0.00 N ATOM 38 C8 G B 2 108.436 -12.077 48.642 1.00 0.00 C ATOM 39 N7 G B 2 108.759 -12.304 47.388 1.00 0.00 N ATOM 40 C5 G B 2 108.959 -11.029 46.863 1.00 0.00 C ATOM 41 C6 G B 2 109.326 -10.628 45.553 1.00 0.00 C ATOM 42 O6 G B 2 109.553 -11.326 44.570 1.00 0.00 O ATOM 43 N1 G B 2 109.420 -9.234 45.451 1.00 0.00 N ATOM 44 C2 G B 2 109.188 -8.340 46.480 1.00 0.00 C ATOM 45 N2 G B 2 109.327 -7.051 46.179 1.00 0.00 N ATOM 46 N3 G B 2 108.843 -8.717 47.709 1.00 0.00 N ATOM 47 C4 G B 2 108.749 -10.069 47.826 1.00 0.00 C ATOM 48 P U B 3 103.291 -10.127 50.696 1.00 0.00 P ATOM 49 O1P U B 3 102.147 -9.933 51.617 1.00 0.00 O ATOM 50 O2P U B 3 103.250 -11.353 49.867 1.00 0.00 O ATOM 51 O5* U B 3 103.455 -8.843 49.756 1.00 0.00 O ATOM 52 C5* U B 3 103.606 -7.548 50.365 1.00 0.00 C ATOM 53 C4* U B 3 103.869 -6.502 49.301 1.00 0.00 C ATOM 54 O4* U B 3 105.181 -6.745 48.713 1.00 0.00 O ATOM 55 C3* U B 3 102.923 -6.519 48.101 1.00 0.00 C ATOM 56 O3* U B 3 101.753 -5.807 48.364 1.00 0.00 O ATOM 57 C2* U B 3 103.771 -5.872 47.011 1.00 0.00 C ATOM 58 O2* U B 3 103.838 -4.468 47.192 1.00 0.00 O ATOM 59 C1* U B 3 105.156 -6.426 47.331 1.00 0.00 C ATOM 60 N1 U B 3 105.497 -7.661 46.569 1.00 0.00 N ATOM 61 C2 U B 3 105.900 -7.499 45.268 1.00 0.00 C ATOM 62 O2 U B 3 105.980 -6.409 44.726 1.00 0.00 O ATOM 63 N3 U B 3 106.210 -8.665 44.591 1.00 0.00 N ATOM 64 C4 U B 3 106.146 -9.945 45.100 1.00 0.00 C ATOM 65 O4 U B 3 106.449 -10.914 44.398 1.00 0.00 O ATOM 66 C5 U B 3 105.709 -10.013 46.473 1.00 0.00 C ATOM 67 C6 U B 3 105.406 -8.895 47.152 1.00 0.00 C ATOM 68 P U B 4 100.354 -6.321 47.696 1.00 0.00 P ATOM 69 O1P U B 4 99.198 -5.681 48.370 1.00 0.00 O ATOM 70 O2P U B 4 100.340 -7.799 47.660 1.00 0.00 O ATOM 71 O5* U B 4 100.500 -5.745 46.212 1.00 0.00 O ATOM 72 C5* U B 4 100.623 -4.323 46.023 1.00 0.00 C ATOM 73 C4* U B 4 100.874 -4.013 44.561 1.00 0.00 C ATOM 74 O4* U B 4 102.194 -4.507 44.195 1.00 0.00 O ATOM 75 C3* U B 4 99.934 -4.693 43.564 1.00 0.00 C ATOM 76 O3* U B 4 98.753 -3.977 43.406 1.00 0.00 O ATOM 77 C2* U B 4 100.784 -4.721 42.294 1.00 0.00 C ATOM 78 O2* U B 4 100.823 -3.441 41.687 1.00 0.00 O ATOM 79 C1* U B 4 102.174 -4.988 42.860 1.00 0.00 C ATOM 80 N1 U B 4 102.544 -6.430 42.883 1.00 0.00 N ATOM 81 C2 U B 4 102.828 -7.024 41.679 1.00 0.00 C ATOM 82 O2 U B 4 102.770 -6.426 40.613 1.00 0.00 O ATOM 83 N3 U B 4 103.168 -8.362 41.741 1.00 0.00 N ATOM 84 C4 U B 4 103.246 -9.135 42.880 1.00 0.00 C ATOM 85 O4 U B 4 103.561 -10.325 42.807 1.00 0.00 O ATOM 86 C5 U B 4 102.929 -8.427 44.095 1.00 0.00 C ATOM 87 C6 U B 4 102.597 -7.125 44.063 1.00 0.00 C ATOM 88 P A B 5 97.367 -4.797 43.126 1.00 0.00 P ATOM 89 O1P A B 5 96.198 -3.922 43.352 1.00 0.00 O ATOM 90 O2P A B 5 97.383 -6.063 43.894 1.00 0.00 O ATOM 91 O5* A B 5 97.516 -5.113 41.564 1.00 0.00 O ATOM 92 C5* A B 5 97.614 -4.015 40.638 1.00 0.00 C ATOM 93 C4* A B 5 97.870 -4.540 39.240 1.00 0.00 C ATOM 94 O4* A B 5 99.204 -5.129 39.194 1.00 0.00 O ATOM 95 C3* A B 5 96.954 -5.669 38.772 1.00 0.00 C ATOM 96 O3* A B 5 95.760 -5.176 38.254 1.00 0.00 O ATOM 97 C2* A B 5 97.811 -6.363 37.715 1.00 0.00 C ATOM 98 O2* A B 5 97.833 -5.614 36.514 1.00 0.00 O ATOM 99 C1* A B 5 99.202 -6.254 38.328 1.00 0.00 C ATOM 100 N9 A B 5 99.602 -7.448 39.127 1.00 0.00 N ATOM 101 C8 A B 5 99.686 -7.588 40.495 1.00 0.00 C ATOM 102 N7 A B 5 100.065 -8.768 40.881 1.00 0.00 N ATOM 103 C5 A B 5 100.252 -9.464 39.695 1.00 0.00 C ATOM 104 C6 A B 5 100.657 -10.779 39.425 1.00 0.00 C ATOM 105 N6 A B 5 100.964 -11.671 40.379 1.00 0.00 N ATOM 106 N1 A B 5 100.738 -11.151 38.133 1.00 0.00 N ATOM 107 C2 A B 5 100.430 -10.262 37.190 1.00 0.00 C ATOM 108 N3 A B 5 100.040 -9.012 37.322 1.00 0.00 N ATOM 109 C4 A B 5 99.970 -8.665 38.623 1.00 0.00 C ATOM 110 P A B 6 94.393 -6.048 38.469 1.00 0.00 P ATOM 111 O1P A B 6 93.204 -5.212 38.186 1.00 0.00 O ATOM 112 O2P A B 6 94.424 -6.697 39.798 1.00 0.00 O ATOM 113 O5* A B 6 94.558 -7.152 37.322 1.00 0.00 O ATOM 114 C5* A B 6 94.642 -6.729 35.950 1.00 0.00 C ATOM 115 C4* A B 6 94.922 -7.921 35.057 1.00 0.00 C ATOM 116 O4* A B 6 96.266 -8.411 35.330 1.00 0.00 O ATOM 117 C3* A B 6 94.030 -9.142 35.277 1.00 0.00 C ATOM 118 O3* A B 6 92.828 -9.031 34.577 1.00 0.00 O ATOM 119 C2* A B 6 94.910 -10.277 34.760 1.00 0.00 C ATOM 120 O2* A B 6 94.927 -10.295 33.340 1.00 0.00 O ATOM 121 C1* A B 6 96.294 -9.825 35.211 1.00 0.00 C ATOM 122 N9 A B 6 96.707 -10.390 36.527 1.00 0.00 N ATOM 123 C8 A B 6 96.781 -9.769 37.753 1.00 0.00 C ATOM 124 N7 A B 6 97.182 -10.543 38.714 1.00 0.00 N ATOM 125 C5 A B 6 97.392 -11.766 38.093 1.00 0.00 C ATOM 126 C6 A B 6 97.824 -13.012 38.575 1.00 0.00 C ATOM 127 N6 A B 6 98.141 -13.240 39.856 1.00 0.00 N ATOM 128 N1 A B 6 97.921 -14.020 37.687 1.00 0.00 N ATOM 129 C2 A B 6 97.606 -13.788 36.415 1.00 0.00 C ATOM 130 N3 A B 6 97.192 -12.673 35.851 1.00 0.00 N ATOM 131 C4 A B 6 97.103 -11.681 36.761 1.00 0.00 C ATOM 132 P G B 7 91.479 -9.676 35.233 1.00 0.00 P ATOM 133 O1P G B 7 90.276 -9.149 34.546 1.00 0.00 O ATOM 134 O2P G B 7 91.513 -9.502 36.702 1.00 0.00 O ATOM 135 O5* G B 7 91.676 -11.221 34.865 1.00 0.00 O ATOM 136 C5* G B 7 91.763 -11.603 33.480 1.00 0.00 C ATOM 137 C4* G B 7 92.071 -13.082 33.370 1.00 0.00 C ATOM 138 O4* G B 7 93.422 -13.321 33.862 1.00 0.00 O ATOM 139 C3* G B 7 91.202 -14.012 34.219 1.00 0.00 C ATOM 140 O3* G B 7 90.005 -14.320 33.578 1.00 0.00 O ATOM 141 C2* G B 7 92.107 -15.228 34.395 1.00 0.00 C ATOM 142 O2* G B 7 92.135 -16.009 33.211 1.00 0.00 O ATOM 143 C1* G B 7 93.478 -14.575 34.528 1.00 0.00 C ATOM 144 N9 G B 7 93.892 -14.331 35.937 1.00 0.00 N ATOM 145 C8 G B 7 93.945 -13.146 36.637 1.00 0.00 C ATOM 146 N7 G B 7 94.357 -13.273 37.875 1.00 0.00 N ATOM 147 C5 G B 7 94.593 -14.641 38.005 1.00 0.00 C ATOM 148 C6 G B 7 95.053 -15.387 39.120 1.00 0.00 C ATOM 149 O6 G B 7 95.354 -14.988 40.243 1.00 0.00 O ATOM 150 N1 G B 7 95.152 -16.751 38.818 1.00 0.00 N ATOM 151 C2 G B 7 94.845 -17.323 37.598 1.00 0.00 C ATOM 152 N2 G B 7 95.005 -18.645 37.512 1.00 0.00 N ATOM 153 N3 G B 7 94.411 -16.623 36.553 1.00 0.00 N ATOM 154 C4 G B 7 94.311 -15.294 36.827 1.00 0.00 C ATOM 155 P C B 8 88.662 -14.534 34.480 1.00 0.00 P ATOM 156 O1P C B 8 87.455 -14.486 33.624 1.00 0.00 O ATOM 157 O2P C B 8 88.681 -13.594 35.621 1.00 0.00 O ATOM 158 O5* C B 8 88.892 -16.030 35.005 1.00 0.00 O ATOM 159 C5* C B 8 88.997 -17.098 34.047 1.00 0.00 C ATOM 160 C4* C B 8 89.335 -18.396 34.752 1.00 0.00 C ATOM 161 O4* C B 8 90.684 -18.302 35.293 1.00 0.00 O ATOM 162 C3* C B 8 88.476 -18.733 35.971 1.00 0.00 C ATOM 163 O3* C B 8 87.289 -19.367 35.599 1.00 0.00 O ATOM 164 C2* C B 8 89.401 -19.645 36.772 1.00 0.00 C ATOM 165 O2* C B 8 89.452 -20.942 36.200 1.00 0.00 O ATOM 166 C1* C B 8 90.760 -18.996 36.526 1.00 0.00 C ATOM 167 N1 C B 8 91.157 -18.022 37.580 1.00 0.00 N ATOM 168 C2 C B 8 91.568 -18.525 38.810 1.00 0.00 C ATOM 169 O2 C B 8 91.586 -19.751 38.977 1.00 0.00 O ATOM 170 N3 C B 8 91.932 -17.653 39.784 1.00 0.00 N ATOM 171 C4 C B 8 91.899 -16.332 39.564 1.00 0.00 C ATOM 172 N4 C B 8 92.267 -15.522 40.546 1.00 0.00 N ATOM 173 C5 C B 8 91.480 -15.793 38.306 1.00 0.00 C ATOM 174 C6 C B 8 91.118 -16.682 37.347 1.00 0.00 C ATOM 175 P G B 9 85.797 -18.202 35.519 1.00 0.00 P ATOM 176 O1P G B 9 85.840 -17.306 36.696 1.00 0.00 O ATOM 177 O2P G B 9 84.585 -19.039 35.386 1.00 0.00 O ATOM 178 O5* G B 9 85.916 -17.141 33.976 1.00 0.00 O ATOM 179 C5* G B 9 85.094 -16.397 32.956 1.00 0.00 C ATOM 180 C4* G B 9 84.615 -14.788 33.165 1.00 0.00 C ATOM 181 O4* G B 9 84.196 -14.548 34.540 1.00 0.00 O ATOM 182 C3* G B 9 85.689 -13.728 32.921 1.00 0.00 C ATOM 183 O3* G B 9 86.400 -13.687 31.441 1.00 0.00 O ATOM 184 C2* G B 9 85.151 -12.539 33.712 1.00 0.00 C ATOM 185 O2* G B 9 84.087 -11.910 33.014 1.00 0.00 O ATOM 186 C1* G B 9 84.537 -13.229 34.925 1.00 0.00 C ATOM 187 N9 G B 9 85.609 -13.320 36.354 1.00 0.00 N ATOM 188 C8 G B 9 86.073 -14.429 37.022 1.00 0.00 C ATOM 189 N7 G B 9 86.816 -14.148 38.064 1.00 0.00 N ATOM 190 C5 G B 9 86.842 -12.756 38.094 1.00 0.00 C ATOM 191 C6 G B 9 87.484 -11.869 38.995 1.00 0.00 C ATOM 192 O6 G B 9 88.179 -12.137 39.972 1.00 0.00 O ATOM 193 N1 G B 9 87.247 -10.530 38.650 1.00 0.00 N ATOM 194 C2 G B 9 86.492 -10.103 37.578 1.00 0.00 C ATOM 195 N2 G B 9 86.391 -8.781 37.422 1.00 0.00 N ATOM 196 N3 G B 9 85.889 -10.937 36.732 1.00 0.00 N ATOM 197 C4 G B 9 86.106 -12.241 37.051 1.00 0.00 C ATOM 198 P A B 10 88.239 -13.924 30.960 1.00 0.00 P ATOM 199 O1P A B 10 88.826 -15.045 31.728 1.00 0.00 O ATOM 200 O2P A B 10 88.912 -12.617 31.109 1.00 0.00 O ATOM 201 O5* A B 10 88.504 -14.551 29.196 1.00 0.00 O ATOM 202 C5* A B 10 89.844 -14.705 28.567 1.00 0.00 C ATOM 203 C4* A B 10 89.930 -15.386 27.039 1.00 0.00 C ATOM 204 O4* A B 10 88.653 -15.839 26.497 1.00 0.00 O ATOM 205 C3* A B 10 90.950 -16.359 26.440 1.00 0.00 C ATOM 206 O3* A B 10 92.436 -16.375 26.748 1.00 0.00 O ATOM 207 C2* A B 10 90.171 -17.667 26.422 1.00 0.00 C ATOM 208 O2* A B 10 90.101 -18.229 27.722 1.00 0.00 O ATOM 209 C1* A B 10 88.765 -17.189 26.075 1.00 0.00 C ATOM 210 N9 A B 10 88.373 -17.268 24.408 1.00 0.00 N ATOM 211 C8 A B 10 87.209 -17.720 23.824 1.00 0.00 C ATOM 212 N7 A B 10 87.128 -17.477 22.553 1.00 0.00 N ATOM 213 C5 A B 10 88.310 -16.816 22.261 1.00 0.00 C ATOM 214 C6 A B 10 88.832 -16.286 21.068 1.00 0.00 C ATOM 215 N6 A B 10 88.191 -16.344 19.894 1.00 0.00 N ATOM 216 N1 A B 10 90.039 -15.693 21.129 1.00 0.00 N ATOM 217 C2 A B 10 90.668 -15.642 22.302 1.00 0.00 C ATOM 218 N3 A B 10 90.284 -16.100 23.472 1.00 0.00 N ATOM 219 C4 A B 10 89.074 -16.683 23.385 1.00 0.00 C ATOM 220 P C B 11 93.062 -18.038 27.219 1.00 0.00 P ATOM 221 O1P C B 11 92.248 -18.450 28.387 1.00 0.00 O ATOM 222 O2P C B 11 94.530 -18.104 27.404 1.00 0.00 O ATOM 223 O5* C B 11 92.389 -18.932 25.760 1.00 0.00 O ATOM 224 C5* C B 11 91.175 -19.720 25.435 1.00 0.00 C ATOM 225 C4* C B 11 91.255 -21.245 25.971 1.00 0.00 C ATOM 226 O4* C B 11 92.148 -21.303 27.123 1.00 0.00 O ATOM 227 C3* C B 11 90.276 -22.392 26.206 1.00 0.00 C ATOM 228 O3* C B 11 89.336 -22.844 24.784 1.00 0.00 O ATOM 229 C2* C B 11 91.170 -23.453 26.841 1.00 0.00 C ATOM 230 O2* C B 11 91.990 -24.079 25.864 1.00 0.00 O ATOM 231 C1* C B 11 92.092 -22.598 27.707 1.00 0.00 C ATOM 232 N1 C B 11 91.583 -22.432 29.377 1.00 0.00 N ATOM 233 C2 C B 11 91.886 -21.241 30.031 1.00 0.00 C ATOM 234 O2 C B 11 92.439 -20.335 29.400 1.00 0.00 O ATOM 235 N3 C B 11 91.553 -21.114 31.342 1.00 0.00 N ATOM 236 C4 C B 11 90.947 -22.116 31.995 1.00 0.00 C ATOM 237 N4 C B 11 90.643 -21.942 33.273 1.00 0.00 N ATOM 238 C5 C B 11 90.628 -23.347 31.340 1.00 0.00 C ATOM 239 C6 C B 11 90.970 -23.453 30.027 1.00 0.00 C ATOM 240 P U B 12 87.583 -23.409 24.033 1.00 0.00 P ATOM 241 O1P U B 12 86.914 -24.247 25.056 1.00 0.00 O ATOM 242 O2P U B 12 87.632 -23.972 22.666 1.00 0.00 O ATOM 243 O5* U B 12 86.608 -21.938 23.346 1.00 0.00 O ATOM 244 C5* U B 12 85.477 -21.861 22.385 1.00 0.00 C ATOM 245 C4* U B 12 84.142 -22.844 22.475 1.00 0.00 C ATOM 246 O4* U B 12 82.862 -22.555 21.841 1.00 0.00 O ATOM 247 C3* U B 12 83.840 -24.034 23.384 1.00 0.00 C ATOM 248 O3* U B 12 84.772 -24.985 24.052 1.00 0.00 O ATOM 249 C2* U B 12 82.426 -23.724 23.865 1.00 0.00 C ATOM 250 O2* U B 12 82.446 -22.716 24.860 1.00 0.00 O ATOM 251 C1* U B 12 81.807 -23.103 22.616 1.00 0.00 C ATOM 252 N1 U B 12 80.928 -24.203 21.630 1.00 0.00 N ATOM 253 C2 U B 12 79.965 -24.965 22.249 1.00 0.00 C ATOM 254 O2 U B 12 79.731 -24.887 23.447 1.00 0.00 O ATOM 255 N3 U B 12 79.283 -25.841 21.437 1.00 0.00 N ATOM 256 C4 U B 12 79.475 -26.014 20.082 1.00 0.00 C ATOM 257 O4 U B 12 78.796 -26.833 19.450 1.00 0.00 O ATOM 258 C5 U B 12 80.503 -25.173 19.516 1.00 0.00 C ATOM 259 C6 U B 12 81.187 -24.306 20.290 1.00 0.00 C ATOM 260 P A B 13 84.115 -25.709 25.593 1.00 0.00 P ATOM 261 O1P A B 13 83.453 -24.745 26.503 1.00 0.00 O ATOM 262 O2P A B 13 85.182 -26.535 26.197 1.00 0.00 O ATOM 263 O5* A B 13 82.932 -26.688 24.627 1.00 0.00 O ATOM 264 C5* A B 13 82.488 -27.956 24.136 1.00 0.00 C ATOM 265 C4* A B 13 82.702 -28.259 22.548 1.00 0.00 C ATOM 266 O4* A B 13 82.073 -29.487 22.079 1.00 0.00 O ATOM 267 C3* A B 13 82.450 -27.261 21.417 1.00 0.00 C ATOM 268 O3* A B 13 83.177 -25.945 21.237 1.00 0.00 O ATOM 269 C2* A B 13 82.561 -28.147 20.179 1.00 0.00 C ATOM 270 O2* A B 13 83.917 -28.444 19.888 1.00 0.00 O ATOM 271 C1* A B 13 81.920 -29.444 20.671 1.00 0.00 C ATOM 272 N9 A B 13 80.285 -29.597 20.313 1.00 0.00 N ATOM 273 C8 A B 13 79.281 -30.121 21.100 1.00 0.00 C ATOM 274 N7 A B 13 78.153 -30.262 20.483 1.00 0.00 N ATOM 275 C5 A B 13 78.407 -29.814 19.197 1.00 0.00 C ATOM 276 C6 A B 13 77.605 -29.705 18.053 1.00 0.00 C ATOM 277 N6 A B 13 76.315 -30.070 18.014 1.00 0.00 N ATOM 278 N1 A B 13 78.177 -29.211 16.939 1.00 0.00 N ATOM 279 C2 A B 13 79.458 -28.851 16.977 1.00 0.00 C ATOM 280 N3 A B 13 80.305 -28.905 17.983 1.00 0.00 N ATOM 281 C4 A B 13 79.705 -29.400 19.088 1.00 0.00 C ATOM 282 P A B 14 83.905 -25.488 19.575 1.00 0.00 P ATOM 283 O1P A B 14 85.066 -26.356 19.280 1.00 0.00 O ATOM 284 O2P A B 14 84.191 -24.034 19.650 1.00 0.00 O ATOM 285 O5* A B 14 82.585 -25.764 18.273 1.00 0.00 O ATOM 286 C5* A B 14 82.619 -25.226 16.867 1.00 0.00 C ATOM 287 C4* A B 14 81.471 -25.361 15.648 1.00 0.00 C ATOM 288 O4* A B 14 80.404 -26.328 15.867 1.00 0.00 O ATOM 289 C3* A B 14 80.756 -24.149 15.059 1.00 0.00 C ATOM 290 O3* A B 14 82.130 -23.617 14.159 1.00 0.00 O ATOM 291 C2* A B 14 79.678 -24.800 14.198 1.00 0.00 C ATOM 292 O2* A B 14 80.225 -25.313 12.995 1.00 0.00 O ATOM 293 C1* A B 14 79.285 -26.003 15.056 1.00 0.00 C ATOM 294 N9 A B 14 77.961 -25.748 16.058 1.00 0.00 N ATOM 295 C8 A B 14 77.954 -25.399 17.391 1.00 0.00 C ATOM 296 N7 A B 14 76.786 -25.486 17.953 1.00 0.00 N ATOM 297 C5 A B 14 75.956 -25.927 16.931 1.00 0.00 C ATOM 298 C6 A B 14 74.582 -26.218 16.886 1.00 0.00 C ATOM 299 N6 A B 14 73.770 -26.104 17.945 1.00 0.00 N ATOM 300 N1 A B 14 74.076 -26.631 15.712 1.00 0.00 N ATOM 301 C2 A B 14 74.891 -26.741 14.663 1.00 0.00 C ATOM 302 N3 A B 14 76.181 -26.501 14.585 1.00 0.00 N ATOM 303 C4 A B 14 76.662 -26.086 15.775 1.00 0.00 C ATOM 304 P G B 15 82.588 -22.990 12.357 1.00 0.00 P ATOM 305 O1P G B 15 82.976 -21.590 12.638 1.00 0.00 O ATOM 306 O2P G B 15 81.388 -23.168 11.505 1.00 0.00 O ATOM 307 O5* G B 15 84.070 -23.810 11.279 1.00 0.00 O ATOM 308 C5* G B 15 85.387 -24.302 10.204 1.00 0.00 C ATOM 309 C4* G B 15 85.870 -23.615 8.578 1.00 0.00 C ATOM 310 O4* G B 15 84.584 -23.226 8.021 1.00 0.00 O ATOM 311 C3* G B 15 86.709 -23.967 7.348 1.00 0.00 C ATOM 312 O3* G B 15 88.046 -24.690 6.876 1.00 0.00 O ATOM 313 C2* G B 15 85.676 -24.609 6.430 1.00 0.00 C ATOM 314 O2* G B 15 85.377 -25.931 6.852 1.00 0.00 O ATOM 315 C1* G B 15 84.441 -23.762 6.713 1.00 0.00 C ATOM 316 N9 G B 15 84.205 -22.494 5.645 1.00 0.00 N ATOM 317 C8 G B 15 84.210 -21.143 5.889 1.00 0.00 C ATOM 318 N7 G B 15 83.886 -20.410 4.848 1.00 0.00 N ATOM 319 C5 G B 15 83.651 -21.346 3.848 1.00 0.00 C ATOM 320 C6 G B 15 83.265 -21.155 2.495 1.00 0.00 C ATOM 321 O6 G B 15 83.049 -20.109 1.894 1.00 0.00 O ATOM 322 N1 G B 15 83.137 -22.381 1.822 1.00 0.00 N ATOM 323 C2 G B 15 83.354 -23.626 2.384 1.00 0.00 C ATOM 324 N2 G B 15 83.181 -24.673 1.575 1.00 0.00 N ATOM 325 N3 G B 15 83.716 -23.798 3.654 1.00 0.00 N ATOM 326 C4 G B 15 83.844 -22.621 4.317 1.00 0.00 C ATOM 327 P C B 16 88.292 -24.548 5.028 1.00 0.00 P ATOM 328 O1P C B 16 87.180 -25.078 4.207 1.00 0.00 O ATOM 329 O2P C B 16 89.652 -24.759 4.483 1.00 0.00 O ATOM 330 O5* C B 16 88.059 -22.992 5.313 1.00 0.00 O ATOM 331 C5* C B 16 86.925 -22.334 4.717 1.00 0.00 C ATOM 332 C4* C B 16 86.828 -20.908 5.217 1.00 0.00 C ATOM 333 O4* C B 16 86.490 -20.927 6.633 1.00 0.00 O ATOM 334 C3* C B 16 88.121 -20.093 5.159 1.00 0.00 C ATOM 335 O3* C B 16 88.314 -19.528 3.900 1.00 0.00 O ATOM 336 C2* C B 16 87.888 -19.045 6.245 1.00 0.00 C ATOM 337 O2* C B 16 86.999 -18.040 5.793 1.00 0.00 O ATOM 338 C1* C B 16 87.143 -19.856 7.301 1.00 0.00 C ATOM 339 N1 C B 16 88.027 -20.437 8.348 1.00 0.00 N ATOM 340 C2 C B 16 88.545 -19.575 9.309 1.00 0.00 C ATOM 341 O2 C B 16 88.253 -18.373 9.255 1.00 0.00 O ATOM 342 N3 C B 16 89.356 -20.082 10.272 1.00 0.00 N ATOM 343 C4 C B 16 89.650 -21.389 10.296 1.00 0.00 C ATOM 344 N4 C B 16 90.446 -21.836 11.257 1.00 0.00 N ATOM 345 C5 C B 16 89.129 -22.294 9.315 1.00 0.00 C ATOM 346 C6 C B 16 88.320 -21.763 8.362 1.00 0.00 C ATOM 347 P G B 17 89.836 -19.364 3.338 1.00 0.00 P ATOM 348 O1P G B 17 89.818 -19.100 1.881 1.00 0.00 O ATOM 349 O2P G B 17 90.650 -20.522 3.773 1.00 0.00 O ATOM 350 O5* G B 17 90.306 -18.048 4.119 1.00 0.00 O ATOM 351 C5* G B 17 89.587 -16.821 3.911 1.00 0.00 C ATOM 352 C4* G B 17 90.118 -15.744 4.838 1.00 0.00 C ATOM 353 O4* G B 17 89.779 -16.095 6.210 1.00 0.00 O ATOM 354 C3* G B 17 91.638 -15.579 4.864 1.00 0.00 C ATOM 355 O3* G B 17 92.082 -14.761 3.830 1.00 0.00 O ATOM 356 C2* G B 17 91.871 -14.964 6.243 1.00 0.00 C ATOM 357 O2* G B 17 91.520 -13.591 6.245 1.00 0.00 O ATOM 358 C1* G B 17 90.822 -15.691 7.083 1.00 0.00 C ATOM 359 N9 G B 17 91.343 -16.904 7.771 1.00 0.00 N ATOM 360 C8 G B 17 91.130 -18.234 7.476 1.00 0.00 C ATOM 361 N7 G B 17 91.739 -19.064 8.287 1.00 0.00 N ATOM 362 C5 G B 17 92.405 -18.227 9.182 1.00 0.00 C ATOM 363 C6 G B 17 93.232 -18.545 10.286 1.00 0.00 C ATOM 364 O6 G B 17 93.557 -19.653 10.714 1.00 0.00 O ATOM 365 N1 G B 17 93.705 -17.391 10.926 1.00 0.00 N ATOM 366 C2 G B 17 93.414 -16.096 10.543 1.00 0.00 C ATOM 367 N2 G B 17 93.963 -15.129 11.280 1.00 0.00 N ATOM 368 N3 G B 17 92.636 -15.797 9.503 1.00 0.00 N ATOM 369 C4 G B 17 92.170 -16.907 8.874 1.00 0.00 C ATOM 370 P U B 18 93.534 -15.074 3.149 1.00 0.00 P ATOM 371 O1P U B 18 93.659 -14.353 1.860 1.00 0.00 O ATOM 372 O2P U B 18 93.746 -16.535 3.092 1.00 0.00 O ATOM 373 O5* U B 18 94.518 -14.423 4.230 1.00 0.00 O ATOM 374 C5* U B 18 94.417 -13.015 4.511 1.00 0.00 C ATOM 375 C4* U B 18 95.349 -12.646 5.648 1.00 0.00 C ATOM 376 O4* U B 18 94.863 -13.259 6.874 1.00 0.00 O ATOM 377 C3* U B 18 96.785 -13.153 5.523 1.00 0.00 C ATOM 378 O3* U B 18 97.564 -12.299 4.743 1.00 0.00 O ATOM 379 C2* U B 18 97.238 -13.194 6.981 1.00 0.00 C ATOM 380 O2* U B 18 97.527 -11.891 7.453 1.00 0.00 O ATOM 381 C1* U B 18 95.962 -13.649 7.685 1.00 0.00 C ATOM 382 N1 U B 18 95.885 -15.123 7.889 1.00 0.00 N ATOM 383 C2 U B 18 96.683 -15.663 8.867 1.00 0.00 C ATOM 384 O2 U B 18 97.432 -14.990 9.557 1.00 0.00 O ATOM 385 N3 U B 18 96.584 -17.032 9.027 1.00 0.00 N ATOM 386 C4 U B 18 95.773 -17.882 8.307 1.00 0.00 C ATOM 387 O4 U B 18 95.767 -19.094 8.541 1.00 0.00 O ATOM 388 C5 U B 18 94.971 -17.224 7.301 1.00 0.00 C ATOM 389 C6 U B 18 95.048 -15.896 7.124 1.00 0.00 C ATOM 390 P A B 19 98.742 -12.943 3.814 1.00 0.00 P ATOM 391 O1P A B 19 99.198 -11.955 2.808 1.00 0.00 O ATOM 392 O2P A B 19 98.292 -14.248 3.278 1.00 0.00 O ATOM 393 O5* A B 19 99.891 -13.173 4.904 1.00 0.00 O ATOM 394 C5* A B 19 100.417 -12.038 5.617 1.00 0.00 C ATOM 395 C4* A B 19 101.395 -12.498 6.679 1.00 0.00 C ATOM 396 O4* A B 19 100.664 -13.229 7.708 1.00 0.00 O ATOM 397 C3* A B 19 102.463 -13.488 6.213 1.00 0.00 C ATOM 398 O3* A B 19 103.550 -12.835 5.642 1.00 0.00 O ATOM 399 C2* A B 19 102.823 -14.205 7.515 1.00 0.00 C ATOM 400 O2* A B 19 103.647 -13.387 8.328 1.00 0.00 O ATOM 401 C1* A B 19 101.464 -14.289 8.204 1.00 0.00 C ATOM 402 N9 A B 19 100.743 -15.568 7.949 1.00 0.00 N ATOM 403 C8 A B 19 99.655 -15.802 7.140 1.00 0.00 C ATOM 404 N7 A B 19 99.257 -17.035 7.135 1.00 0.00 N ATOM 405 C5 A B 19 100.137 -17.675 7.996 1.00 0.00 C ATOM 406 C6 A B 19 100.249 -19.009 8.419 1.00 0.00 C ATOM 407 N6 A B 19 99.428 -19.986 8.008 1.00 0.00 N ATOM 408 N1 A B 19 101.238 -19.304 9.284 1.00 0.00 N ATOM 409 C2 A B 19 102.052 -18.329 9.685 1.00 0.00 C ATOM 410 N3 A B 19 102.045 -17.055 9.361 1.00 0.00 N ATOM 411 C4 A B 19 101.046 -16.786 8.497 1.00 0.00 C ATOM 412 P C B 20 104.345 -13.557 4.414 1.00 0.00 P ATOM 413 O1P C B 20 105.204 -12.577 3.712 1.00 0.00 O ATOM 414 O2P C B 20 103.376 -14.286 3.564 1.00 0.00 O ATOM 415 O5* C B 20 105.254 -14.600 5.214 1.00 0.00 O ATOM 416 C5* C B 20 106.211 -14.104 6.170 1.00 0.00 C ATOM 417 C4* C B 20 106.868 -15.260 6.896 1.00 0.00 C ATOM 418 O4* C B 20 105.871 -15.915 7.737 1.00 0.00 O ATOM 419 C3* C B 20 107.399 -16.387 6.009 1.00 0.00 C ATOM 420 O3* C B 20 108.678 -16.100 5.531 1.00 0.00 O ATOM 421 C2* C B 20 107.383 -17.577 6.964 1.00 0.00 C ATOM 422 O2* C B 20 108.468 -17.509 7.875 1.00 0.00 O ATOM 423 C1* C B 20 106.115 -17.313 7.769 1.00 0.00 C ATOM 424 N1 C B 20 104.909 -18.001 7.229 1.00 0.00 N ATOM 425 C2 C B 20 104.803 -19.376 7.425 1.00 0.00 C ATOM 426 O2 C B 20 105.705 -19.960 8.033 1.00 0.00 O ATOM 427 N3 C B 20 103.714 -20.021 6.940 1.00 0.00 N ATOM 428 C4 C B 20 102.758 -19.351 6.283 1.00 0.00 C ATOM 429 N4 C B 20 101.713 -20.027 5.831 1.00 0.00 N ATOM 430 C5 C B 20 102.847 -17.937 6.070 1.00 0.00 C ATOM 431 C6 C B 20 103.944 -17.311 6.562 1.00 0.00 C ATOM 432 P A B 21 109.094 -16.630 4.045 1.00 0.00 P ATOM 433 O1P A B 21 110.312 -15.929 3.575 1.00 0.00 O ATOM 434 O2P A B 21 107.920 -16.552 3.147 1.00 0.00 O ATOM 435 O5* A B 21 109.437 -18.160 4.358 1.00 0.00 O ATOM 436 C5* A B 21 110.495 -18.463 5.284 1.00 0.00 C ATOM 437 C4* A B 21 110.563 -19.957 5.524 1.00 0.00 C ATOM 438 O4* A B 21 109.366 -20.374 6.241 1.00 0.00 O ATOM 439 C3* A B 21 110.565 -20.833 4.270 1.00 0.00 C ATOM 440 O3* A B 21 111.846 -20.966 3.740 1.00 0.00 O ATOM 441 C2* A B 21 110.007 -22.152 4.801 1.00 0.00 C ATOM 442 O2* A B 21 110.994 -22.855 5.536 1.00 0.00 O ATOM 443 C1* A B 21 108.970 -21.666 5.806 1.00 0.00 C ATOM 444 N9 A B 21 107.595 -21.558 5.243 1.00 0.00 N ATOM 445 C8 A B 21 106.884 -20.432 4.897 1.00 0.00 C ATOM 446 N7 A B 21 105.701 -20.677 4.429 1.00 0.00 N ATOM 447 C5 A B 21 105.608 -22.061 4.462 1.00 0.00 C ATOM 448 C6 A B 21 104.586 -22.951 4.092 1.00 0.00 C ATOM 449 N6 A B 21 103.407 -22.557 3.592 1.00 0.00 N ATOM 450 N1 A B 21 104.823 -24.266 4.253 1.00 0.00 N ATOM 451 C2 A B 21 105.999 -24.652 4.749 1.00 0.00 C ATOM 452 N3 A B 21 107.020 -23.917 5.127 1.00 0.00 N ATOM 453 C4 A B 21 106.759 -22.604 4.954 1.00 0.00 C ATOM 454 P C B 22 112.016 -21.086 2.118 1.00 0.00 P ATOM 455 O1P C B 22 113.425 -20.850 1.734 1.00 0.00 O ATOM 456 O2P C B 22 111.012 -20.227 1.455 1.00 0.00 O ATOM 457 O5* C B 22 111.645 -22.628 1.893 1.00 0.00 O ATOM 458 C5* C B 22 112.445 -23.639 2.535 1.00 0.00 C ATOM 459 C4* C B 22 111.845 -25.009 2.285 1.00 0.00 C ATOM 460 O4* C B 22 110.571 -25.097 2.990 1.00 0.00 O ATOM 461 C3* C B 22 111.484 -25.324 0.835 1.00 0.00 C ATOM 462 O3* C B 22 112.585 -25.794 0.126 1.00 0.00 O ATOM 463 C2* C B 22 110.395 -26.382 0.997 1.00 0.00 C ATOM 464 O2* C B 22 110.959 -27.635 1.342 1.00 0.00 O ATOM 465 C1* C B 22 109.657 -25.874 2.232 1.00 0.00 C ATOM 466 N1 C B 22 108.482 -25.014 1.917 1.00 0.00 N ATOM 467 C2 C B 22 107.336 -25.639 1.430 1.00 0.00 C ATOM 468 O2 C B 22 107.342 -26.867 1.284 1.00 0.00 O ATOM 469 N3 C B 22 106.251 -24.877 1.136 1.00 0.00 N ATOM 470 C4 C B 22 106.284 -23.550 1.310 1.00 0.00 C ATOM 471 N4 C B 22 105.200 -22.850 1.009 1.00 0.00 N ATOM 472 C5 C B 22 107.451 -22.889 1.811 1.00 0.00 C ATOM 473 C6 C B 22 108.525 -23.669 2.098 1.00 0.00 C ATOM 474 H5 C B 22 107.464 -21.811 1.841 1.00 0.00 H ATOM 475 H6 C B 22 109.338 -23.146 2.531 1.00 0.00 H ATOM 476 P G B 23 112.715 -25.423 -1.459 1.00 0.00 P ATOM 477 O1P G B 23 114.093 -25.684 -1.936 1.00 0.00 O ATOM 478 O2P G B 23 112.207 -24.053 -1.690 1.00 0.00 O ATOM 479 O5* G B 23 111.712 -26.489 -2.103 1.00 0.00 O ATOM 480 C5* G B 23 111.973 -27.895 -1.919 1.00 0.00 C ATOM 481 C4* G B 23 110.837 -28.713 -2.499 1.00 0.00 C ATOM 482 O4* G B 23 109.640 -28.493 -1.695 1.00 0.00 O ATOM 483 C3* G B 23 110.399 -28.339 -3.915 1.00 0.00 C ATOM 484 O3* G B 23 111.196 -28.960 -4.875 1.00 0.00 O ATOM 485 C2* G B 23 108.955 -28.828 -3.945 1.00 0.00 C ATOM 486 O2* G B 23 108.903 -30.236 -4.085 1.00 0.00 O ATOM 487 C1* G B 23 108.493 -28.507 -2.527 1.00 0.00 C ATOM 488 N9 G B 23 107.816 -27.184 -2.402 1.00 0.00 N ATOM 489 C8 G B 23 108.291 -26.014 -1.850 1.00 0.00 C ATOM 490 N7 G B 23 107.439 -25.019 -1.902 1.00 0.00 N ATOM 491 C5 G B 23 106.323 -25.568 -2.530 1.00 0.00 C ATOM 492 C6 G B 23 105.080 -24.974 -2.866 1.00 0.00 C ATOM 493 O6 G B 23 104.698 -23.824 -2.671 1.00 0.00 O ATOM 494 N1 G B 23 104.226 -25.892 -3.496 1.00 0.00 N ATOM 495 C2 G B 23 104.538 -27.208 -3.770 1.00 0.00 C ATOM 496 N2 G B 23 103.589 -27.922 -4.380 1.00 0.00 N ATOM 497 N3 G B 23 105.707 -27.765 -3.455 1.00 0.00 N ATOM 498 C4 G B 23 106.544 -26.889 -2.841 1.00 0.00 C ATOM 499 P G B 24 111.506 -28.168 -6.268 1.00 0.00 P ATOM 500 O1P G B 24 112.635 -28.806 -6.980 1.00 0.00 O ATOM 501 O2P G B 24 111.654 -26.723 -5.991 1.00 0.00 O ATOM 502 O5* G B 24 110.147 -28.428 -7.071 1.00 0.00 O ATOM 503 C5* G B 24 109.761 -29.783 -7.369 1.00 0.00 C ATOM 504 C4* G B 24 108.391 -29.800 -8.017 1.00 0.00 C ATOM 505 O4* G B 24 107.399 -29.384 -7.034 1.00 0.00 O ATOM 506 C3* G B 24 108.190 -28.828 -9.179 1.00 0.00 C ATOM 507 O3* G B 24 108.652 -29.362 -10.379 1.00 0.00 O ATOM 508 C2* G B 24 106.676 -28.624 -9.168 1.00 0.00 C ATOM 509 O2* G B 24 106.015 -29.743 -9.729 1.00 0.00 O ATOM 510 C1* G B 24 106.377 -28.635 -7.671 1.00 0.00 C ATOM 511 N9 G B 24 106.352 -27.279 -7.056 1.00 0.00 N ATOM 512 C8 G B 24 107.279 -26.676 -6.237 1.00 0.00 C ATOM 513 N7 G B 24 106.953 -25.463 -5.861 1.00 0.00 N ATOM 514 C5 G B 24 105.721 -25.246 -6.476 1.00 0.00 C ATOM 515 C6 G B 24 104.868 -24.113 -6.444 1.00 0.00 C ATOM 516 O6 G B 24 105.031 -23.048 -5.854 1.00 0.00 O ATOM 517 N1 G B 24 103.714 -24.315 -7.208 1.00 0.00 N ATOM 518 C2 G B 24 103.420 -25.467 -7.916 1.00 0.00 C ATOM 519 N2 G B 24 102.267 -25.462 -8.586 1.00 0.00 N ATOM 520 N3 G B 24 104.220 -26.529 -7.949 1.00 0.00 N ATOM 521 C4 G B 24 105.347 -26.348 -7.209 1.00 0.00 C ATOM 522 P U B 25 109.305 -28.355 -11.487 1.00 0.00 P ATOM 523 O1P U B 25 110.053 -29.130 -12.504 1.00 0.00 O ATOM 524 O2P U B 25 110.068 -27.291 -10.796 1.00 0.00 O ATOM 525 O5* U B 25 107.983 -27.736 -12.145 1.00 0.00 O ATOM 526 C5* U B 25 107.048 -28.616 -12.793 1.00 0.00 C ATOM 527 C4* U B 25 105.821 -27.838 -13.230 1.00 0.00 C ATOM 528 O4* U B 25 105.096 -27.400 -12.046 1.00 0.00 O ATOM 529 C3* U B 25 106.092 -26.541 -13.995 1.00 0.00 C ATOM 530 O3* U B 25 106.293 -26.781 -15.351 1.00 0.00 O ATOM 531 C2* U B 25 104.821 -25.739 -13.719 1.00 0.00 C ATOM 532 O2* U B 25 103.744 -26.215 -14.507 1.00 0.00 O ATOM 533 C1* U B 25 104.519 -26.126 -12.277 1.00 0.00 C ATOM 534 N1 U B 25 105.079 -25.178 -11.272 1.00 0.00 N ATOM 535 C2 U B 25 104.450 -23.965 -11.136 1.00 0.00 C ATOM 536 O2 U B 25 103.471 -23.647 -11.792 1.00 0.00 O ATOM 537 N3 U B 25 104.998 -23.114 -10.197 1.00 0.00 N ATOM 538 C4 U B 25 106.096 -23.368 -9.401 1.00 0.00 C ATOM 539 O4 U B 25 106.494 -22.526 -8.594 1.00 0.00 O ATOM 540 C5 U B 25 106.689 -24.669 -9.616 1.00 0.00 C ATOM 541 C6 U B 25 106.176 -25.515 -10.524 1.00 0.00 C ATOM 542 P G B 26 105.381 -25.461 -16.483 1.00 0.00 P ATOM 543 O1P G B 26 104.922 -26.231 -17.665 1.00 0.00 O ATOM 544 O2P G B 26 106.384 -24.408 -16.752 1.00 0.00 O ATOM 545 O5* G B 26 103.795 -24.515 -15.852 1.00 0.00 O ATOM 546 C5* G B 26 102.677 -23.377 -15.787 1.00 0.00 C ATOM 547 C4* G B 26 100.936 -23.515 -15.496 1.00 0.00 C ATOM 548 O4* G B 26 100.953 -24.933 -15.161 1.00 0.00 O ATOM 549 C3* G B 26 100.159 -22.876 -14.348 1.00 0.00 C ATOM 550 O3* G B 26 99.223 -21.536 -14.661 1.00 0.00 O ATOM 551 C2* G B 26 99.110 -23.940 -14.038 1.00 0.00 C ATOM 552 O2* G B 26 98.077 -23.930 -15.007 1.00 0.00 O ATOM 553 C1* G B 26 99.907 -25.226 -14.250 1.00 0.00 C ATOM 554 N9 G B 26 100.589 -25.868 -12.849 1.00 0.00 N ATOM 555 C8 G B 26 101.252 -25.222 -11.834 1.00 0.00 C ATOM 556 N7 G B 26 101.747 -26.031 -10.924 1.00 0.00 N ATOM 557 C5 G B 26 101.386 -27.303 -11.371 1.00 0.00 C ATOM 558 C6 G B 26 101.633 -28.576 -10.804 1.00 0.00 C ATOM 559 O6 G B 26 102.239 -28.854 -9.775 1.00 0.00 O ATOM 560 N1 G B 26 101.086 -29.600 -11.591 1.00 0.00 N ATOM 561 C2 G B 26 100.383 -29.415 -12.765 1.00 0.00 C ATOM 562 N2 G B 26 99.938 -30.518 -13.362 1.00 0.00 N ATOM 563 N3 G B 26 100.146 -28.217 -13.291 1.00 0.00 N ATOM 564 C4 G B 26 100.676 -27.210 -12.546 1.00 0.00 C ATOM 565 P G B 27 97.979 -20.650 -13.482 1.00 0.00 P ATOM 566 O1P G B 27 98.637 -19.384 -13.093 1.00 0.00 O ATOM 567 O2P G B 27 97.674 -21.585 -12.376 1.00 0.00 O ATOM 568 O5* G B 27 96.280 -20.100 -14.223 1.00 0.00 O ATOM 569 C5* G B 27 94.791 -19.561 -14.366 1.00 0.00 C ATOM 570 C4* G B 27 94.111 -18.241 -13.397 1.00 0.00 C ATOM 571 O4* G B 27 95.263 -18.003 -12.538 1.00 0.00 O ATOM 572 C3* G B 27 92.910 -17.930 -12.503 1.00 0.00 C ATOM 573 O3* G B 27 91.575 -16.900 -12.477 1.00 0.00 O ATOM 574 C2* G B 27 93.387 -18.442 -11.142 1.00 0.00 C ATOM 575 O2* G B 27 93.321 -19.853 -11.081 1.00 0.00 O ATOM 576 C1* G B 27 94.865 -18.064 -11.176 1.00 0.00 C ATOM 577 N9 G B 27 95.233 -16.574 -10.442 1.00 0.00 N ATOM 578 C8 G B 27 96.148 -15.618 -10.829 1.00 0.00 C ATOM 579 N7 G B 27 96.277 -14.630 -9.971 1.00 0.00 N ATOM 580 C5 G B 27 95.386 -14.954 -8.955 1.00 0.00 C ATOM 581 C6 G B 27 95.084 -14.263 -7.755 1.00 0.00 C ATOM 582 O6 G B 27 95.547 -13.206 -7.334 1.00 0.00 O ATOM 583 N1 G B 27 94.118 -14.942 -7.001 1.00 0.00 N ATOM 584 C2 G B 27 93.522 -16.138 -7.364 1.00 0.00 C ATOM 585 N2 G B 27 92.620 -16.626 -6.508 1.00 0.00 N ATOM 586 N3 G B 27 93.808 -16.787 -8.489 1.00 0.00 N ATOM 587 C4 G B 27 94.745 -16.140 -9.232 1.00 0.00 C ATOM 588 P A B 28 90.680 -16.342 -10.812 1.00 0.00 P ATOM 589 O1P A B 28 91.383 -15.162 -10.266 1.00 0.00 O ATOM 590 O2P A B 28 90.858 -17.606 -10.066 1.00 0.00 O ATOM 591 O5* A B 28 88.778 -15.917 -10.533 1.00 0.00 O ATOM 592 C5* A B 28 87.539 -15.148 -9.791 1.00 0.00 C ATOM 593 C4* A B 28 86.333 -15.731 -8.588 1.00 0.00 C ATOM 594 O4* A B 28 86.770 -17.114 -8.462 1.00 0.00 O ATOM 595 C3* A B 28 84.834 -15.792 -8.304 1.00 0.00 C ATOM 596 O3* A B 28 83.204 -15.312 -8.651 1.00 0.00 O ATOM 597 C2* A B 28 84.443 -17.125 -8.937 1.00 0.00 C ATOM 598 O2* A B 28 84.374 -17.012 -10.347 1.00 0.00 O ATOM 599 C1* A B 28 85.661 -17.987 -8.619 1.00 0.00 C ATOM 600 N9 A B 28 85.517 -18.918 -7.219 1.00 0.00 N ATOM 601 C8 A B 28 85.893 -18.596 -5.937 1.00 0.00 C ATOM 602 N7 A B 28 85.798 -19.580 -5.095 1.00 0.00 N ATOM 603 C5 A B 28 85.328 -20.633 -5.867 1.00 0.00 C ATOM 604 C6 A B 28 85.017 -21.965 -5.562 1.00 0.00 C ATOM 605 N6 A B 28 85.138 -22.489 -4.333 1.00 0.00 N ATOM 606 N1 A B 28 84.571 -22.747 -6.562 1.00 0.00 N ATOM 607 C2 A B 28 84.451 -22.219 -7.777 1.00 0.00 C ATOM 608 N3 A B 28 84.711 -20.997 -8.186 1.00 0.00 N ATOM 609 C4 A B 28 85.153 -20.238 -7.163 1.00 0.00 C ATOM 610 P U B 29 81.727 -16.699 -8.461 1.00 0.00 P ATOM 611 O1P U B 29 82.337 -17.161 -7.194 1.00 0.00 O ATOM 612 O2P U B 29 81.784 -17.653 -9.590 1.00 0.00 O ATOM 613 O5* U B 29 80.210 -16.258 -8.202 1.00 0.00 O ATOM 614 C5* U B 29 79.326 -17.166 -7.521 1.00 0.00 C ATOM 615 C4* U B 29 77.988 -16.499 -7.272 1.00 0.00 C ATOM 616 O4* U B 29 78.169 -15.429 -6.301 1.00 0.00 O ATOM 617 C3* U B 29 77.357 -15.801 -8.478 1.00 0.00 C ATOM 618 O3* U B 29 76.645 -16.697 -9.272 1.00 0.00 O ATOM 619 C2* U B 29 76.460 -14.760 -7.811 1.00 0.00 C ATOM 620 O2* U B 29 75.285 -15.367 -7.295 1.00 0.00 O ATOM 621 C1* U B 29 77.307 -14.345 -6.612 1.00 0.00 C ATOM 622 N1 U B 29 78.150 -13.143 -6.865 1.00 0.00 N ATOM 623 C2 U B 29 77.510 -11.927 -6.906 1.00 0.00 C ATOM 624 O2 U B 29 76.306 -11.806 -6.746 1.00 0.00 O ATOM 625 N3 U B 29 78.324 -10.837 -7.142 1.00 0.00 N ATOM 626 C4 U B 29 79.689 -10.860 -7.333 1.00 0.00 C ATOM 627 O4 U B 29 80.311 -9.816 -7.536 1.00 0.00 O ATOM 628 C5 U B 29 80.270 -12.180 -7.276 1.00 0.00 C ATOM 629 C6 U B 29 79.504 -13.256 -7.049 1.00 0.00 C ATOM 630 P G B 30 76.612 -16.456 -10.888 1.00 0.00 P ATOM 631 O1P G B 30 76.138 -17.678 -11.575 1.00 0.00 O ATOM 632 O2P G B 30 77.921 -15.932 -11.335 1.00 0.00 O ATOM 633 O5* G B 30 75.502 -15.309 -10.996 1.00 0.00 O ATOM 634 C5* G B 30 74.168 -15.580 -10.528 1.00 0.00 C ATOM 635 C4* G B 30 73.322 -14.324 -10.610 1.00 0.00 C ATOM 636 O4* G B 30 73.824 -13.354 -9.642 1.00 0.00 O ATOM 637 C3* G B 30 73.375 -13.572 -11.941 1.00 0.00 C ATOM 638 O3* G B 30 72.481 -14.109 -12.864 1.00 0.00 O ATOM 639 C2* G B 30 73.005 -12.151 -11.521 1.00 0.00 C ATOM 640 O2* G B 30 71.612 -12.042 -11.285 1.00 0.00 O ATOM 641 C1* G B 30 73.696 -12.041 -10.165 1.00 0.00 C ATOM 642 N9 G B 30 75.057 -11.442 -10.234 1.00 0.00 N ATOM 643 C8 G B 30 76.285 -12.053 -10.116 1.00 0.00 C ATOM 644 N7 G B 30 77.303 -11.234 -10.226 1.00 0.00 N ATOM 645 C5 G B 30 76.705 -9.989 -10.429 1.00 0.00 C ATOM 646 C6 G B 30 77.294 -8.713 -10.617 1.00 0.00 C ATOM 647 O6 G B 30 78.485 -8.408 -10.641 1.00 0.00 O ATOM 648 N1 G B 30 76.320 -7.720 -10.788 1.00 0.00 N ATOM 649 C2 G B 30 74.955 -7.933 -10.779 1.00 0.00 C ATOM 650 N2 G B 30 74.192 -6.854 -10.962 1.00 0.00 N ATOM 651 N3 G B 30 74.403 -9.130 -10.605 1.00 0.00 N ATOM 652 C4 G B 30 75.336 -10.107 -10.436 1.00 0.00 C ATOM 653 P C B 31 72.884 -14.097 -14.446 1.00 0.00 P ATOM 654 O1P C B 31 72.006 -15.017 -15.204 1.00 0.00 O ATOM 655 O2P C B 31 74.338 -14.332 -14.585 1.00 0.00 O ATOM 656 O5* C B 31 72.542 -12.581 -14.831 1.00 0.00 O ATOM 657 C5* C B 31 71.190 -12.111 -14.683 1.00 0.00 C ATOM 658 C4* C B 31 71.121 -10.627 -14.981 1.00 0.00 C ATOM 659 O4* C B 31 71.837 -9.904 -13.941 1.00 0.00 O ATOM 660 C3* C B 31 71.798 -10.177 -16.276 1.00 0.00 C ATOM 661 O3* C B 31 70.953 -10.333 -17.372 1.00 0.00 O ATOM 662 C2* C B 31 72.114 -8.715 -15.981 1.00 0.00 C ATOM 663 O2* C B 31 70.946 -7.916 -16.078 1.00 0.00 O ATOM 664 C1* C B 31 72.487 -8.774 -14.502 1.00 0.00 C ATOM 665 N1 C B 31 73.953 -8.919 -14.260 1.00 0.00 N ATOM 666 C2 C B 31 74.758 -7.802 -14.468 1.00 0.00 C ATOM 667 O2 C B 31 74.230 -6.748 -14.842 1.00 0.00 O ATOM 668 N3 C B 31 76.093 -7.913 -14.253 1.00 0.00 N ATOM 669 C4 C B 31 76.625 -9.075 -13.850 1.00 0.00 C ATOM 670 N4 C B 31 77.934 -9.131 -13.654 1.00 0.00 N ATOM 671 C5 C B 31 75.813 -10.234 -13.632 1.00 0.00 C ATOM 672 C6 C B 31 74.481 -10.102 -13.852 1.00 0.00 C ATOM 673 P C B 32 71.608 -10.723 -18.818 1.00 0.00 P ATOM 674 O1P C B 32 70.555 -11.197 -19.745 1.00 0.00 O ATOM 675 O2P C B 32 72.744 -11.649 -18.607 1.00 0.00 O ATOM 676 O5* C B 32 72.149 -9.297 -19.299 1.00 0.00 O ATOM 677 C5* C B 32 71.215 -8.218 -19.478 1.00 0.00 C ATOM 678 C4* C B 32 71.954 -6.938 -19.810 1.00 0.00 C ATOM 679 O4* C B 32 72.720 -6.521 -18.645 1.00 0.00 O ATOM 680 C3* C B 32 73.002 -7.046 -20.920 1.00 0.00 C ATOM 681 O3* C B 32 72.427 -6.917 -22.180 1.00 0.00 O ATOM 682 C2* C B 32 73.943 -5.890 -20.582 1.00 0.00 C ATOM 683 O2* C B 32 73.375 -4.650 -20.962 1.00 0.00 O ATOM 684 C1* C B 32 73.943 -5.929 -19.057 1.00 0.00 C ATOM 685 N1 C B 32 75.058 -6.728 -18.477 1.00 0.00 N ATOM 686 C2 C B 32 76.338 -6.178 -18.510 1.00 0.00 C ATOM 687 O2 C B 32 76.492 -5.059 -19.014 1.00 0.00 O ATOM 688 N3 C B 32 77.367 -6.891 -17.990 1.00 0.00 N ATOM 689 C4 C B 32 77.161 -8.100 -17.451 1.00 0.00 C ATOM 690 N4 C B 32 78.198 -8.755 -16.955 1.00 0.00 N ATOM 691 C5 C B 32 75.852 -8.685 -17.407 1.00 0.00 C ATOM 692 C6 C B 32 74.836 -7.955 -17.935 1.00 0.00 C ATOM 693 P C B 33 73.382 -8.139 -23.233 1.00 0.00 P ATOM 694 O1P C B 33 74.817 -8.063 -22.881 1.00 0.00 O ATOM 695 O2P C B 33 73.057 -7.986 -24.669 1.00 0.00 O ATOM 696 O5* C B 33 72.739 -9.715 -22.514 1.00 0.00 O ATOM 697 C5* C B 33 72.337 -11.115 -22.383 1.00 0.00 C ATOM 698 C4* C B 33 73.414 -12.305 -22.027 1.00 0.00 C ATOM 699 O4* C B 33 74.825 -12.002 -21.825 1.00 0.00 O ATOM 700 C3* C B 33 73.139 -13.443 -21.046 1.00 0.00 C ATOM 701 O3* C B 33 71.806 -14.143 -21.108 1.00 0.00 O ATOM 702 C2* C B 33 74.449 -14.227 -21.089 1.00 0.00 C ATOM 703 O2* C B 33 74.533 -14.999 -22.270 1.00 0.00 O ATOM 704 C1* C B 33 75.475 -13.103 -21.218 1.00 0.00 C ATOM 705 N1 C B 33 76.147 -12.581 -19.742 1.00 0.00 N ATOM 706 C2 C B 33 76.616 -13.555 -18.865 1.00 0.00 C ATOM 707 O2 C B 33 76.504 -14.745 -19.178 1.00 0.00 O ATOM 708 N3 C B 33 77.179 -13.155 -17.695 1.00 0.00 N ATOM 709 C4 C B 33 77.279 -11.855 -17.391 1.00 0.00 C ATOM 710 N4 C B 33 77.836 -11.522 -16.235 1.00 0.00 N ATOM 711 C5 C B 33 76.804 -10.844 -18.281 1.00 0.00 C ATOM 712 C6 C B 33 76.243 -11.257 -19.445 1.00 0.00 C ATOM 713 P U B 34 71.666 -15.817 -21.861 1.00 0.00 P ATOM 714 O1P U B 34 70.208 -16.061 -21.955 1.00 0.00 O ATOM 715 O2P U B 34 72.454 -16.872 -21.182 1.00 0.00 O ATOM 716 O5* U B 34 72.440 -15.465 -23.494 1.00 0.00 O ATOM 717 C5* U B 34 73.297 -15.579 -24.686 1.00 0.00 C ATOM 718 C4* U B 34 73.737 -17.128 -25.186 1.00 0.00 C ATOM 719 O4* U B 34 72.795 -18.205 -24.891 1.00 0.00 O ATOM 720 C3* U B 34 75.107 -17.786 -25.008 1.00 0.00 C ATOM 721 O3* U B 34 76.438 -17.846 -25.931 1.00 0.00 O ATOM 722 C2* U B 34 74.863 -18.735 -23.843 1.00 0.00 C ATOM 723 O2* U B 34 74.820 -18.028 -22.617 1.00 0.00 O ATOM 724 C1* U B 34 73.443 -19.209 -24.130 1.00 0.00 C ATOM 725 N1 U B 34 73.341 -20.724 -25.012 1.00 0.00 N ATOM 726 C2 U B 34 74.189 -20.883 -26.077 1.00 0.00 C ATOM 727 O2 U B 34 74.951 -20.007 -26.454 1.00 0.00 O ATOM 728 N3 U B 34 74.134 -22.114 -26.702 1.00 0.00 N ATOM 729 C4 U B 34 73.316 -23.169 -26.361 1.00 0.00 C ATOM 730 O4 U B 34 73.347 -24.227 -27.001 1.00 0.00 O ATOM 731 C5 U B 34 72.455 -22.903 -25.232 1.00 0.00 C ATOM 732 C6 U B 34 72.489 -21.716 -24.603 1.00 0.00 C ATOM 733 P G B 35 76.205 -17.493 -27.723 1.00 0.00 P ATOM 734 O1P G B 35 74.758 -17.724 -27.529 1.00 0.00 O ATOM 735 O2P G B 35 76.742 -17.864 -29.052 1.00 0.00 O ATOM 736 O5* G B 35 76.556 -15.962 -27.407 1.00 0.00 O ATOM 737 C5* G B 35 75.610 -15.170 -26.665 1.00 0.00 C ATOM 738 C4* G B 35 76.198 -13.802 -26.374 1.00 0.00 C ATOM 739 O4* G B 35 77.304 -13.954 -25.438 1.00 0.00 O ATOM 740 C3* G B 35 76.820 -13.077 -27.566 1.00 0.00 C ATOM 741 O3* G B 35 75.861 -12.391 -28.308 1.00 0.00 O ATOM 742 C2* G B 35 77.816 -12.141 -26.887 1.00 0.00 C ATOM 743 O2* G B 35 77.152 -11.034 -26.305 1.00 0.00 O ATOM 744 C1* G B 35 78.319 -13.011 -25.737 1.00 0.00 C ATOM 745 N9 G B 35 79.567 -13.761 -26.056 1.00 0.00 N ATOM 746 C8 G B 35 79.729 -15.104 -26.323 1.00 0.00 C ATOM 747 N7 G B 35 80.970 -15.451 -26.567 1.00 0.00 N ATOM 748 C5 G B 35 81.678 -14.254 -26.454 1.00 0.00 C ATOM 749 C6 G B 35 83.065 -13.993 -26.610 1.00 0.00 C ATOM 750 O6 G B 35 83.970 -14.779 -26.883 1.00 0.00 O ATOM 751 N1 G B 35 83.356 -12.639 -26.407 1.00 0.00 N ATOM 752 C2 G B 35 82.430 -11.662 -26.094 1.00 0.00 C ATOM 753 N2 G B 35 82.911 -10.426 -25.941 1.00 0.00 N ATOM 754 N3 G B 35 81.131 -11.906 -25.951 1.00 0.00 N ATOM 755 C4 G B 35 80.831 -13.218 -26.141 1.00 0.00 C ATOM 756 P G B 36 76.052 -12.272 -29.924 1.00 0.00 P ATOM 757 O1P G B 36 74.785 -11.850 -30.562 1.00 0.00 O ATOM 758 O2P G B 36 76.647 -13.524 -30.442 1.00 0.00 O ATOM 759 O5* G B 36 77.124 -11.086 -30.013 1.00 0.00 O ATOM 760 C5* G B 36 76.781 -9.795 -29.477 1.00 0.00 C ATOM 761 C4* G B 36 77.975 -8.866 -29.551 1.00 0.00 C ATOM 762 O4* G B 36 78.999 -9.343 -28.632 1.00 0.00 O ATOM 763 C3* G B 36 78.691 -8.813 -30.901 1.00 0.00 C ATOM 764 O3* G B 36 78.073 -7.914 -31.772 1.00 0.00 O ATOM 765 C2* G B 36 80.099 -8.367 -30.500 1.00 0.00 C ATOM 766 O2* G B 36 80.121 -6.984 -30.204 1.00 0.00 O ATOM 767 C1* G B 36 80.286 -9.107 -29.179 1.00 0.00 C ATOM 768 N9 G B 36 80.971 -10.422 -29.323 1.00 0.00 N ATOM 769 C8 G B 36 80.445 -11.692 -29.247 1.00 0.00 C ATOM 770 N7 G B 36 81.327 -12.648 -29.421 1.00 0.00 N ATOM 771 C5 G B 36 82.523 -11.961 -29.627 1.00 0.00 C ATOM 772 C6 G B 36 83.828 -12.457 -29.871 1.00 0.00 C ATOM 773 O6 G B 36 84.210 -13.622 -29.956 1.00 0.00 O ATOM 774 N1 G B 36 84.750 -11.413 -30.023 1.00 0.00 N ATOM 775 C2 G B 36 84.451 -10.066 -29.951 1.00 0.00 C ATOM 776 N2 G B 36 85.473 -9.226 -30.123 1.00 0.00 N ATOM 777 N3 G B 36 83.224 -9.604 -29.721 1.00 0.00 N ATOM 778 C4 G B 36 82.316 -10.603 -29.570 1.00 0.00 C ATOM 779 P C B 37 78.133 -9.121 -33.260 1.00 0.00 P ATOM 780 O1P C B 37 76.839 -8.502 -33.624 1.00 0.00 O ATOM 781 O2P C B 37 78.275 -10.557 -33.587 1.00 0.00 O ATOM 782 O5* C B 37 79.333 -8.292 -33.919 1.00 0.00 O ATOM 783 C5* C B 37 79.437 -6.882 -33.650 1.00 0.00 C ATOM 784 C4* C B 37 80.708 -6.328 -34.269 1.00 0.00 C ATOM 785 O4* C B 37 81.853 -6.884 -33.562 1.00 0.00 O ATOM 786 C3* C B 37 80.957 -6.705 -35.728 1.00 0.00 C ATOM 787 O3* C B 37 80.286 -5.850 -36.598 1.00 0.00 O ATOM 788 C2* C B 37 82.474 -6.582 -35.836 1.00 0.00 C ATOM 789 O2* C B 37 82.863 -5.222 -35.914 1.00 0.00 O ATOM 790 C1* C B 37 82.922 -7.097 -34.472 1.00 0.00 C ATOM 791 N1 C B 37 83.255 -8.548 -34.460 1.00 0.00 N ATOM 792 C2 C B 37 84.447 -8.948 -35.056 1.00 0.00 C ATOM 793 O2 C B 37 85.178 -8.086 -35.565 1.00 0.00 O ATOM 794 N3 C B 37 84.769 -10.266 -35.054 1.00 0.00 N ATOM 795 C4 C B 37 83.954 -11.167 -34.493 1.00 0.00 C ATOM 796 N4 C B 37 84.313 -12.442 -34.518 1.00 0.00 N ATOM 797 C5 C B 37 82.722 -10.778 -33.874 1.00 0.00 C ATOM 798 C6 C B 37 82.417 -9.456 -33.887 1.00 0.00 C ATOM 799 P A B 38 79.711 -6.452 -38.005 1.00 0.00 P ATOM 800 O1P A B 38 78.735 -5.514 -38.600 1.00 0.00 O ATOM 801 O2P A B 38 79.224 -7.833 -37.786 1.00 0.00 O ATOM 802 O5* A B 38 81.046 -6.478 -38.886 1.00 0.00 O ATOM 803 C5* A B 38 81.736 -5.243 -39.145 1.00 0.00 C ATOM 804 C4* A B 38 83.030 -5.518 -39.888 1.00 0.00 C ATOM 805 O4* A B 38 83.940 -6.225 -38.998 1.00 0.00 O ATOM 806 C3* A B 38 82.915 -6.435 -41.105 1.00 0.00 C ATOM 807 O3* A B 38 82.533 -5.730 -42.244 1.00 0.00 O ATOM 808 C2* A B 38 84.329 -7.003 -41.211 1.00 0.00 C ATOM 809 O2* A B 38 85.216 -6.043 -41.762 1.00 0.00 O ATOM 810 C1* A B 38 84.708 -7.160 -39.741 1.00 0.00 C ATOM 811 N9 A B 38 84.433 -8.517 -39.192 1.00 0.00 N ATOM 812 C8 A B 38 83.431 -8.923 -38.341 1.00 0.00 C ATOM 813 N7 A B 38 83.466 -10.185 -38.050 1.00 0.00 N ATOM 814 C5 A B 38 84.563 -10.664 -38.753 1.00 0.00 C ATOM 815 C6 A B 38 85.134 -11.938 -38.866 1.00 0.00 C ATOM 816 N6 A B 38 84.657 -13.021 -38.234 1.00 0.00 N ATOM 817 N1 A B 38 86.222 -12.064 -39.650 1.00 0.00 N ATOM 818 C2 A B 38 86.691 -10.986 -40.274 1.00 0.00 C ATOM 819 N3 A B 38 86.244 -9.750 -40.245 1.00 0.00 N ATOM 820 C4 A B 38 85.155 -9.652 -39.454 1.00 0.00 C ATOM 821 P G B 39 81.592 -6.473 -43.349 1.00 0.00 P ATOM 822 O1P G B 39 81.000 -5.478 -44.273 1.00 0.00 O ATOM 823 O2P G B 39 80.629 -7.361 -42.660 1.00 0.00 O ATOM 824 O5* G B 39 82.678 -7.355 -44.128 1.00 0.00 O ATOM 825 C5* G B 39 83.764 -6.690 -44.800 1.00 0.00 C ATOM 826 C4* G B 39 84.733 -7.712 -45.355 1.00 0.00 C ATOM 827 O4* G B 39 85.396 -8.389 -44.246 1.00 0.00 O ATOM 828 C3* G B 39 84.109 -8.852 -46.160 1.00 0.00 C ATOM 829 O3* G B 39 83.898 -8.485 -47.488 1.00 0.00 O ATOM 830 C2* G B 39 85.155 -9.957 -46.016 1.00 0.00 C ATOM 831 O2* G B 39 86.269 -9.707 -46.854 1.00 0.00 O ATOM 832 C1* G B 39 85.625 -9.747 -44.578 1.00 0.00 C ATOM 833 N9 G B 39 84.905 -10.593 -43.586 1.00 0.00 N ATOM 834 C8 G B 39 83.944 -10.228 -42.669 1.00 0.00 C ATOM 835 N7 G B 39 83.506 -11.220 -41.930 1.00 0.00 N ATOM 836 C5 G B 39 84.227 -12.320 -42.393 1.00 0.00 C ATOM 837 C6 G B 39 84.192 -13.676 -41.982 1.00 0.00 C ATOM 838 O6 G B 39 83.504 -14.197 -41.107 1.00 0.00 O ATOM 839 N1 G B 39 85.091 -14.459 -42.717 1.00 0.00 N ATOM 840 C2 G B 39 85.918 -13.993 -43.719 1.00 0.00 C ATOM 841 N2 G B 39 86.702 -14.903 -44.304 1.00 0.00 N ATOM 842 N3 G B 39 85.950 -12.721 -44.107 1.00 0.00 N ATOM 843 C4 G B 39 85.085 -11.946 -43.401 1.00 0.00 C ATOM 844 P U B 40 82.601 -9.095 -48.273 1.00 0.00 P ATOM 845 O1P U B 40 82.342 -8.323 -49.509 1.00 0.00 O ATOM 846 O2P U B 40 81.463 -9.204 -47.334 1.00 0.00 O ATOM 847 O5* U B 40 83.138 -10.553 -48.648 1.00 0.00 O ATOM 848 C5* U B 40 84.301 -10.677 -49.485 1.00 0.00 C ATOM 849 C4* U B 40 84.701 -12.131 -49.609 1.00 0.00 C ATOM 850 O4* U B 40 85.177 -12.601 -48.314 1.00 0.00 O ATOM 851 C3* U B 40 83.577 -13.107 -49.962 1.00 0.00 C ATOM 852 O3* U B 40 83.358 -13.159 -51.336 1.00 0.00 O ATOM 853 C2* U B 40 84.105 -14.422 -49.400 1.00 0.00 C ATOM 854 O2* U B 40 85.108 -14.962 -50.243 1.00 0.00 O ATOM 855 C1* U B 40 84.800 -13.955 -48.124 1.00 0.00 C ATOM 856 N1 U B 40 83.940 -14.028 -46.912 1.00 0.00 N ATOM 857 C2 U B 40 83.699 -15.276 -46.388 1.00 0.00 C ATOM 858 O2 U B 40 84.158 -16.295 -46.875 1.00 0.00 O ATOM 859 N3 U B 40 82.898 -15.304 -45.265 1.00 0.00 N ATOM 860 C4 U B 40 82.330 -14.215 -44.636 1.00 0.00 C ATOM 861 O4 U B 40 81.628 -14.362 -43.633 1.00 0.00 O ATOM 862 C5 U B 40 82.637 -12.948 -45.258 1.00 0.00 C ATOM 863 C6 U B 40 83.417 -12.893 -46.354 1.00 0.00 C ATOM 864 P C B 41 81.840 -13.396 -51.883 1.00 0.00 P ATOM 865 O1P C B 41 81.753 -13.057 -53.320 1.00 0.00 O ATOM 866 O2P C B 41 80.880 -12.696 -50.998 1.00 0.00 O ATOM 867 O5* C B 41 81.695 -14.978 -51.690 1.00 0.00 O ATOM 868 C5* C B 41 82.598 -15.851 -52.394 1.00 0.00 C ATOM 869 C4* C B 41 82.367 -17.288 -51.971 1.00 0.00 C ATOM 870 O4* C B 41 82.779 -17.441 -50.581 1.00 0.00 O ATOM 871 C3* C B 41 80.910 -17.758 -51.977 1.00 0.00 C ATOM 872 O3* C B 41 80.515 -18.178 -53.246 1.00 0.00 O ATOM 873 C2* C B 41 80.939 -18.898 -50.962 1.00 0.00 C ATOM 874 O2* C B 41 81.525 -20.058 -51.523 1.00 0.00 O ATOM 875 C1* C B 41 81.922 -18.360 -49.923 1.00 0.00 C ATOM 876 N1 C B 41 81.267 -17.650 -48.789 1.00 0.00 N ATOM 877 C2 C B 41 80.606 -18.421 -47.839 1.00 0.00 C ATOM 878 O2 C B 41 80.590 -19.649 -47.968 1.00 0.00 O ATOM 879 N3 C B 41 80.003 -17.792 -46.795 1.00 0.00 N ATOM 880 C4 C B 41 80.043 -16.458 -46.686 1.00 0.00 C ATOM 881 N4 C B 41 79.439 -15.892 -45.653 1.00 0.00 N ATOM 882 C5 C B 41 80.716 -15.648 -47.659 1.00 0.00 C ATOM 883 C6 C B 41 81.313 -16.294 -48.690 1.00 0.00 C ATOM 884 P A B 42 78.968 -17.929 -53.706 1.00 0.00 P ATOM 885 O1P A B 42 78.838 -18.097 -55.171 1.00 0.00 O ATOM 886 O2P A B 42 78.493 -16.640 -53.161 1.00 0.00 O ATOM 887 O5* A B 42 78.235 -19.140 -52.957 1.00 0.00 O ATOM 888 C5* A B 42 78.614 -20.491 -53.274 1.00 0.00 C ATOM 889 C4* A B 42 77.885 -21.459 -52.364 1.00 0.00 C ATOM 890 O4* A B 42 78.379 -21.290 -51.004 1.00 0.00 O ATOM 891 C3* A B 42 76.376 -21.251 -52.240 1.00 0.00 C ATOM 892 O3* A B 42 75.685 -21.868 -53.278 1.00 0.00 O ATOM 893 C2* A B 42 76.079 -21.876 -50.878 1.00 0.00 C ATOM 894 O2* A B 42 76.077 -23.291 -50.965 1.00 0.00 O ATOM 895 C1* A B 42 77.319 -21.482 -50.082 1.00 0.00 C ATOM 896 N9 A B 42 77.153 -20.226 -49.300 1.00 0.00 N ATOM 897 C8 A B 42 77.673 -18.975 -49.548 1.00 0.00 C ATOM 898 N7 A B 42 77.341 -18.083 -48.669 1.00 0.00 N ATOM 899 C5 A B 42 76.544 -18.777 -47.770 1.00 0.00 C ATOM 900 C6 A B 42 75.871 -18.386 -46.600 1.00 0.00 C ATOM 901 N6 A B 42 75.902 -17.137 -46.114 1.00 0.00 N ATOM 902 N1 A B 42 75.169 -19.327 -45.946 1.00 0.00 N ATOM 903 C2 A B 42 75.142 -20.565 -46.436 1.00 0.00 C ATOM 904 N3 A B 42 75.725 -21.045 -47.513 1.00 0.00 N ATOM 905 C4 A B 42 76.423 -20.083 -48.148 1.00 0.00 C ATOM 906 P G B 43 74.320 -21.171 -53.839 1.00 0.00 P ATOM 907 O1P G B 43 73.948 -21.754 -55.146 1.00 0.00 O ATOM 908 O2P G B 43 74.473 -19.700 -53.809 1.00 0.00 O ATOM 909 O5* G B 43 73.270 -21.628 -52.724 1.00 0.00 O ATOM 910 C5* G B 43 73.034 -23.033 -52.516 1.00 0.00 C ATOM 911 C4* G B 43 72.106 -23.237 -51.337 1.00 0.00 C ATOM 912 O4* G B 43 72.797 -22.836 -50.120 1.00 0.00 O ATOM 913 C3* G B 43 70.835 -22.386 -51.336 1.00 0.00 C ATOM 914 O3* G B 43 69.827 -22.974 -52.096 1.00 0.00 O ATOM 915 C2* G B 43 70.491 -22.329 -49.849 1.00 0.00 C ATOM 916 O2* G B 43 69.913 -23.548 -49.418 1.00 0.00 O ATOM 917 C1* G B 43 71.876 -22.244 -49.217 1.00 0.00 C ATOM 918 N9 G B 43 72.327 -20.850 -48.950 1.00 0.00 N ATOM 919 C8 G B 43 73.266 -20.096 -49.618 1.00 0.00 C ATOM 920 N7 G B 43 73.432 -18.892 -49.124 1.00 0.00 N ATOM 921 C5 G B 43 72.542 -18.846 -48.052 1.00 0.00 C ATOM 922 C6 G B 43 72.268 -17.799 -47.134 1.00 0.00 C ATOM 923 O6 G B 43 72.765 -16.676 -47.077 1.00 0.00 O ATOM 924 N1 G B 43 71.290 -18.177 -46.205 1.00 0.00 N ATOM 925 C2 G B 43 70.659 -19.404 -46.167 1.00 0.00 C ATOM 926 N2 G B 43 69.754 -19.567 -45.200 1.00 0.00 N ATOM 927 N3 G B 43 70.914 -20.386 -47.029 1.00 0.00 N ATOM 928 C4 G B 43 71.862 -20.036 -47.938 1.00 0.00 C ATOM 929 P A B 44 68.739 -21.312 -52.709 1.00 0.00 P ATOM 930 O1P A B 44 67.679 -21.958 -53.520 1.00 0.00 O ATOM 931 O2P A B 44 69.738 -20.525 -53.465 1.00 0.00 O ATOM 932 O5* A B 44 68.071 -20.400 -51.576 1.00 0.00 O ATOM 933 C5* A B 44 67.130 -20.994 -50.664 1.00 0.00 C ATOM 934 C4* A B 44 66.722 -19.986 -49.608 1.00 0.00 C ATOM 935 O4* A B 44 67.872 -19.705 -48.758 1.00 0.00 O ATOM 936 C3* A B 44 66.303 -18.612 -50.126 1.00 0.00 C ATOM 937 O3* A B 44 64.964 -18.594 -50.506 1.00 0.00 O ATOM 938 C2* A B 44 66.583 -17.715 -48.922 1.00 0.00 C ATOM 939 O2* A B 44 65.576 -17.872 -47.934 1.00 0.00 O ATOM 940 C1* A B 44 67.855 -18.343 -48.360 1.00 0.00 C ATOM 941 N9 A B 44 69.105 -17.704 -48.858 1.00 0.00 N ATOM 942 C8 A B 44 70.014 -18.177 -49.776 1.00 0.00 C ATOM 943 N7 A B 44 71.009 -17.372 -49.994 1.00 0.00 N ATOM 944 C5 A B 44 70.752 -16.289 -49.167 1.00 0.00 C ATOM 945 C6 A B 44 71.442 -15.089 -48.936 1.00 0.00 C ATOM 946 N6 A B 44 72.593 -14.767 -49.549 1.00 0.00 N ATOM 947 N1 A B 44 70.911 -14.228 -48.049 1.00 0.00 N ATOM 948 C2 A B 44 69.768 -14.553 -47.444 1.00 0.00 C ATOM 949 N3 A B 44 69.039 -15.638 -47.580 1.00 0.00 N ATOM 950 C4 A B 44 69.593 -16.483 -48.472 1.00 0.00 C ATOM 951 P G B 45 64.516 -17.652 -51.764 1.00 0.00 P ATOM 952 O1P G B 45 63.171 -18.040 -52.241 1.00 0.00 O ATOM 953 O2P G B 45 65.588 -17.652 -52.784 1.00 0.00 O ATOM 954 O5* G B 45 64.443 -16.220 -51.051 1.00 0.00 O ATOM 955 C5* G B 45 63.524 -16.028 -49.963 1.00 0.00 C ATOM 956 C4* G B 45 63.711 -14.648 -49.364 1.00 0.00 C ATOM 957 O4* G B 45 65.012 -14.591 -48.711 1.00 0.00 O ATOM 958 C3* G B 45 63.747 -13.489 -50.360 1.00 0.00 C ATOM 959 O3* G B 45 62.462 -13.058 -50.688 1.00 0.00 O ATOM 960 C2* G B 45 64.544 -12.435 -49.594 1.00 0.00 C ATOM 961 O2* G B 45 63.741 -11.820 -48.601 1.00 0.00 O ATOM 962 C1* G B 45 65.571 -13.295 -48.865 1.00 0.00 C ATOM 963 N9 G B 45 66.860 -13.435 -49.595 1.00 0.00 N ATOM 964 C8 G B 45 67.360 -14.520 -50.285 1.00 0.00 C ATOM 965 N7 G B 45 68.539 -14.314 -50.820 1.00 0.00 N ATOM 966 C5 G B 45 68.844 -13.003 -50.459 1.00 0.00 C ATOM 967 C6 G B 45 69.991 -12.219 -50.748 1.00 0.00 C ATOM 968 O6 G B 45 70.990 -12.526 -51.392 1.00 0.00 O ATOM 969 N1 G B 45 69.890 -10.939 -50.189 1.00 0.00 N ATOM 970 C2 G B 45 68.821 -10.475 -49.446 1.00 0.00 C ATOM 971 N2 G B 45 68.916 -9.221 -48.999 1.00 0.00 N ATOM 972 N3 G B 45 67.745 -11.211 -49.177 1.00 0.00 N ATOM 973 C4 G B 45 67.826 -12.458 -49.711 1.00 0.00 C ATOM 974 P G B 46 61.194 -14.567 -50.919 1.00 0.00 P ATOM 975 O1P G B 46 60.715 -14.399 -52.311 1.00 0.00 O ATOM 976 O2P G B 46 60.188 -14.340 -49.859 1.00 0.00 O ATOM 977 O5* G B 46 61.597 -16.498 -50.786 1.00 0.00 O ATOM 978 C5* G B 46 61.690 -18.057 -50.303 1.00 0.00 C ATOM 979 C4* G B 46 61.617 -19.649 -51.088 1.00 0.00 C ATOM 980 O4* G B 46 61.640 -19.476 -52.535 1.00 0.00 O ATOM 981 C3* G B 46 62.345 -20.975 -50.861 1.00 0.00 C ATOM 982 O3* G B 46 62.794 -21.922 -49.633 1.00 0.00 O ATOM 983 C2* G B 46 61.900 -21.795 -52.071 1.00 0.00 C ATOM 984 O2* G B 46 60.576 -22.266 -51.900 1.00 0.00 O ATOM 985 C1* G B 46 61.854 -20.730 -53.164 1.00 0.00 C ATOM 986 N9 G B 46 63.308 -20.617 -54.137 1.00 0.00 N ATOM 987 C8 G B 46 64.496 -19.970 -53.860 1.00 0.00 C ATOM 988 N7 G B 46 65.336 -19.938 -54.866 1.00 0.00 N ATOM 989 C5 G B 46 64.664 -20.615 -55.883 1.00 0.00 C ATOM 990 C6 G B 46 65.067 -20.903 -57.212 1.00 0.00 C ATOM 991 O6 G B 46 66.117 -20.615 -57.779 1.00 0.00 O ATOM 992 N1 G B 46 64.079 -21.611 -57.907 1.00 0.00 N ATOM 993 C2 G B 46 62.857 -21.996 -57.385 1.00 0.00 C ATOM 994 N2 G B 46 62.052 -22.664 -58.208 1.00 0.00 N ATOM 995 N3 G B 46 62.480 -21.721 -56.133 1.00 0.00 N ATOM 996 C4 G B 46 63.432 -21.038 -55.448 1.00 0.00 C ATOM 997 P C B 47 62.498 -23.819 -49.697 1.00 0.00 P ATOM 998 O1P C B 47 62.340 -24.203 -51.115 1.00 0.00 O ATOM 999 O2P C B 47 61.337 -24.081 -48.821 1.00 0.00 O ATOM 1000 O5* C B 47 63.914 -24.924 -49.060 1.00 0.00 O ATOM 1001 C5* C B 47 64.535 -26.276 -49.428 1.00 0.00 C ATOM 1002 C4* C B 47 64.479 -27.784 -48.629 1.00 0.00 C ATOM 1003 O4* C B 47 64.254 -27.873 -47.192 1.00 0.00 O ATOM 1004 C3* C B 47 65.203 -29.091 -48.970 1.00 0.00 C ATOM 1005 O3* C B 47 64.852 -30.280 -49.962 1.00 0.00 O ATOM 1006 C2* C B 47 66.074 -29.303 -47.737 1.00 0.00 C ATOM 1007 O2* C B 47 67.197 -28.446 -47.756 1.00 0.00 O ATOM 1008 C1* C B 47 65.154 -28.811 -46.622 1.00 0.00 C ATOM 1009 N1 C B 47 64.233 -30.047 -45.851 1.00 0.00 N ATOM 1010 C2 C B 47 64.926 -31.071 -45.210 1.00 0.00 C ATOM 1011 O2 C B 47 66.164 -31.059 -45.225 1.00 0.00 O ATOM 1012 N3 C B 47 64.221 -32.054 -44.595 1.00 0.00 N ATOM 1013 C4 C B 47 62.882 -32.035 -44.601 1.00 0.00 C ATOM 1014 N4 C B 47 62.237 -33.013 -43.986 1.00 0.00 N ATOM 1015 C5 C B 47 62.152 -30.990 -45.252 1.00 0.00 C ATOM 1016 C6 C B 47 62.877 -30.021 -45.861 1.00 0.00 C ATOM 1017 P G B 48 64.508 -32.009 -49.331 1.00 0.00 P ATOM 1018 O1P G B 48 63.048 -32.162 -49.142 1.00 0.00 O ATOM 1019 O2P G B 48 65.346 -32.317 -48.153 1.00 0.00 O ATOM 1020 O5* G B 48 64.999 -33.105 -50.752 1.00 0.00 O ATOM 1021 C5* G B 48 64.519 -34.465 -51.118 1.00 0.00 C ATOM 1022 C4* G B 48 65.614 -35.532 -51.762 1.00 0.00 C ATOM 1023 O4* G B 48 66.787 -34.790 -52.195 1.00 0.00 O ATOM 1024 C3* G B 48 66.187 -36.710 -50.974 1.00 0.00 C ATOM 1025 O3* G B 48 65.376 -37.794 -50.261 1.00 0.00 O ATOM 1026 C2* G B 48 67.456 -37.027 -51.763 1.00 0.00 C ATOM 1027 O2* G B 48 67.141 -37.721 -52.961 1.00 0.00 O ATOM 1028 C1* G B 48 67.928 -35.632 -52.163 1.00 0.00 C ATOM 1029 N9 G B 48 69.077 -34.939 -51.105 1.00 0.00 N ATOM 1030 C8 G B 48 69.932 -33.882 -51.322 1.00 0.00 C ATOM 1031 N7 G B 48 70.703 -33.603 -50.295 1.00 0.00 N ATOM 1032 C5 G B 48 70.328 -34.539 -49.328 1.00 0.00 C ATOM 1033 C6 G B 48 70.802 -34.736 -48.009 1.00 0.00 C ATOM 1034 O6 G B 48 71.673 -34.115 -47.404 1.00 0.00 O ATOM 1035 N1 G B 48 70.149 -35.804 -47.377 1.00 0.00 N ATOM 1036 C2 G B 48 69.155 -36.577 -47.954 1.00 0.00 C ATOM 1037 N2 G B 48 68.649 -37.544 -47.180 1.00 0.00 N ATOM 1038 N3 G B 48 68.704 -36.388 -49.187 1.00 0.00 N ATOM 1039 C4 G B 48 69.333 -35.359 -49.815 1.00 0.00 C ATOM 1040 P A B 49 65.570 -39.585 -50.671 1.00 0.00 P ATOM 1041 O1P A B 49 65.755 -39.813 -52.125 1.00 0.00 O ATOM 1042 O2P A B 49 64.479 -40.347 -50.030 1.00 0.00 O ATOM 1043 O5* A B 49 67.150 -39.866 -49.786 1.00 0.00 O ATOM 1044 C5* A B 49 68.426 -40.329 -50.252 1.00 0.00 C ATOM 1045 C4* A B 49 68.663 -41.910 -50.598 1.00 0.00 C ATOM 1046 O4* A B 49 67.858 -42.683 -51.533 1.00 0.00 O ATOM 1047 C3* A B 49 70.095 -42.389 -50.853 1.00 0.00 C ATOM 1048 O3* A B 49 71.055 -42.230 -49.617 1.00 0.00 O ATOM 1049 C2* A B 49 69.880 -43.873 -51.142 1.00 0.00 C ATOM 1050 O2* A B 49 69.636 -44.596 -49.954 1.00 0.00 O ATOM 1051 C1* A B 49 68.567 -43.850 -51.933 1.00 0.00 C ATOM 1052 N9 A B 49 68.748 -43.807 -53.538 1.00 0.00 N ATOM 1053 C8 A B 49 68.354 -42.825 -54.415 1.00 0.00 C ATOM 1054 N7 A B 49 68.500 -43.143 -55.664 1.00 0.00 N ATOM 1055 C5 A B 49 69.040 -44.420 -55.621 1.00 0.00 C ATOM 1056 C6 A B 49 69.439 -45.317 -56.628 1.00 0.00 C ATOM 1057 N6 A B 49 69.341 -45.043 -57.937 1.00 0.00 N ATOM 1058 N1 A B 49 69.930 -46.506 -56.242 1.00 0.00 N ATOM 1059 C2 A B 49 70.025 -46.770 -54.937 1.00 0.00 C ATOM 1060 N3 A B 49 69.691 -46.014 -53.911 1.00 0.00 N ATOM 1061 C4 A B 49 69.194 -44.831 -54.328 1.00 0.00 C ATOM 1062 P U B 50 72.387 -40.972 -49.640 1.00 0.00 P ATOM 1063 O1P U B 50 72.633 -40.356 -48.316 1.00 0.00 O ATOM 1064 O2P U B 50 72.180 -40.032 -50.763 1.00 0.00 O ATOM 1065 O5* U B 50 73.666 -42.229 -49.989 1.00 0.00 O ATOM 1066 C5* U B 50 73.843 -43.536 -49.423 1.00 0.00 C ATOM 1067 C4* U B 50 75.274 -44.333 -49.793 1.00 0.00 C ATOM 1068 O4* U B 50 75.165 -45.392 -48.795 1.00 0.00 O ATOM 1069 C3* U B 50 75.128 -45.068 -51.125 1.00 0.00 C ATOM 1070 O3* U B 50 76.065 -44.146 -52.164 1.00 0.00 O ATOM 1071 C2* U B 50 75.852 -46.384 -50.843 1.00 0.00 C ATOM 1072 O2* U B 50 77.257 -46.202 -50.863 1.00 0.00 O ATOM 1073 C1* U B 50 75.462 -46.645 -49.392 1.00 0.00 C ATOM 1074 N1 U B 50 74.123 -47.661 -49.192 1.00 0.00 N ATOM 1075 C2 U B 50 74.167 -48.548 -48.144 1.00 0.00 C ATOM 1076 O2 U B 50 75.150 -48.688 -47.431 1.00 0.00 O ATOM 1077 N3 U B 50 73.015 -49.286 -47.942 1.00 0.00 N ATOM 1078 C4 U B 50 71.855 -49.210 -48.688 1.00 0.00 C ATOM 1079 O4 U B 50 70.889 -49.923 -48.413 1.00 0.00 O ATOM 1080 C5 U B 50 71.907 -48.250 -49.766 1.00 0.00 C ATOM 1081 C6 U B 50 73.014 -47.521 -49.982 1.00 0.00 C ATOM 1082 P G B 51 76.121 -42.435 -53.051 1.00 0.00 P ATOM 1083 O1P G B 51 74.778 -41.816 -53.088 1.00 0.00 O ATOM 1084 O2P G B 51 76.721 -42.756 -54.366 1.00 0.00 O ATOM 1085 O5* G B 51 77.517 -41.330 -52.201 1.00 0.00 O ATOM 1086 C5* G B 51 78.812 -40.517 -51.523 1.00 0.00 C ATOM 1087 C4* G B 51 80.406 -39.834 -52.171 1.00 0.00 C ATOM 1088 O4* G B 51 80.124 -40.455 -53.458 1.00 0.00 O ATOM 1089 C3* G B 51 80.562 -38.350 -52.501 1.00 0.00 C ATOM 1090 O3* G B 51 81.819 -37.341 -51.862 1.00 0.00 O ATOM 1091 C2* G B 51 81.243 -38.398 -53.867 1.00 0.00 C ATOM 1092 O2* G B 51 82.614 -38.724 -53.734 1.00 0.00 O ATOM 1093 C1* G B 51 80.561 -39.610 -54.510 1.00 0.00 C ATOM 1094 N9 G B 51 79.204 -39.231 -55.495 1.00 0.00 N ATOM 1095 C8 G B 51 77.939 -39.781 -55.480 1.00 0.00 C ATOM 1096 N7 G B 51 77.172 -39.385 -56.466 1.00 0.00 N ATOM 1097 C5 G B 51 77.989 -38.516 -57.188 1.00 0.00 C ATOM 1098 C6 G B 51 77.713 -37.770 -58.365 1.00 0.00 C ATOM 1099 O6 G B 51 76.681 -37.726 -59.023 1.00 0.00 O ATOM 1100 N1 G B 51 78.825 -37.015 -58.760 1.00 0.00 N ATOM 1101 C2 G B 51 80.040 -36.977 -58.108 1.00 0.00 C ATOM 1102 N2 G B 51 80.974 -36.190 -58.649 1.00 0.00 N ATOM 1103 N3 G B 51 80.294 -37.673 -57.002 1.00 0.00 N ATOM 1104 C4 G B 51 79.227 -38.416 -56.605 1.00 0.00 C ATOM 1105 P A B 52 83.372 -37.343 -50.653 1.00 0.00 P ATOM 1106 O1P A B 52 83.335 -38.681 -50.019 1.00 0.00 O ATOM 1107 O2P A B 52 83.115 -36.199 -49.753 1.00 0.00 O ATOM 1108 O5* A B 52 85.296 -36.981 -51.112 1.00 0.00 O ATOM 1109 C5* A B 52 86.909 -37.415 -51.075 1.00 0.00 C ATOM 1110 C4* A B 52 88.479 -36.952 -51.822 1.00 0.00 C ATOM 1111 O4* A B 52 88.807 -35.958 -50.804 1.00 0.00 O ATOM 1112 C3* A B 52 89.841 -37.452 -52.297 1.00 0.00 C ATOM 1113 O3* A B 52 90.777 -38.354 -53.415 1.00 0.00 O ATOM 1114 C2* A B 52 90.689 -36.184 -52.233 1.00 0.00 C ATOM 1115 O2* A B 52 90.401 -35.332 -53.321 1.00 0.00 O ATOM 1116 C1* A B 52 90.134 -35.508 -50.980 1.00 0.00 C ATOM 1117 N9 A B 52 90.994 -35.831 -49.570 1.00 0.00 N ATOM 1118 C8 A B 52 90.781 -35.328 -48.304 1.00 0.00 C ATOM 1119 N7 A B 52 91.466 -35.921 -47.378 1.00 0.00 N ATOM 1120 C5 A B 52 92.194 -36.885 -48.063 1.00 0.00 C ATOM 1121 C6 A B 52 93.121 -37.847 -47.642 1.00 0.00 C ATOM 1122 N6 A B 52 93.493 -38.009 -46.363 1.00 0.00 N ATOM 1123 N1 A B 52 93.654 -38.650 -48.583 1.00 0.00 N ATOM 1124 C2 A B 52 93.282 -38.486 -49.850 1.00 0.00 C ATOM 1125 N3 A B 52 92.431 -37.625 -50.360 1.00 0.00 N ATOM 1126 C4 A B 52 91.910 -36.836 -49.395 1.00 0.00 C ATOM 1127 P A B 53 92.675 -37.905 -53.875 1.00 0.00 P ATOM 1128 O1P A B 53 93.365 -37.692 -52.583 1.00 0.00 O ATOM 1129 O2P A B 53 92.504 -36.694 -54.715 1.00 0.00 O ATOM 1130 O5* A B 53 94.062 -38.913 -54.878 1.00 0.00 O ATOM 1131 C5* A B 53 95.635 -38.639 -55.265 1.00 0.00 C ATOM 1132 C4* A B 53 96.894 -39.413 -56.238 1.00 0.00 C ATOM 1133 O4* A B 53 96.448 -40.563 -57.010 1.00 0.00 O ATOM 1134 C3* A B 53 98.381 -39.294 -56.585 1.00 0.00 C ATOM 1135 O3* A B 53 99.401 -38.347 -57.492 1.00 0.00 O ATOM 1136 C2* A B 53 98.795 -40.758 -56.717 1.00 0.00 C ATOM 1137 O2* A B 53 98.932 -41.355 -55.438 1.00 0.00 O ATOM 1138 C1* A B 53 97.554 -41.371 -57.360 1.00 0.00 C ATOM 1139 N9 A B 53 97.618 -41.487 -59.063 1.00 0.00 N ATOM 1140 C8 A B 53 97.975 -42.568 -59.831 1.00 0.00 C ATOM 1141 N7 A B 53 97.723 -42.426 -61.099 1.00 0.00 N ATOM 1142 C5 A B 53 97.159 -41.167 -61.188 1.00 0.00 C ATOM 1143 C6 A B 53 96.658 -40.418 -62.271 1.00 0.00 C ATOM 1144 N6 A B 53 96.667 -40.862 -63.534 1.00 0.00 N ATOM 1145 N1 A B 53 96.167 -39.197 -62.004 1.00 0.00 N ATOM 1146 C2 A B 53 96.166 -38.760 -60.747 1.00 0.00 C ATOM 1147 N3 A B 53 96.599 -39.362 -59.661 1.00 0.00 N ATOM 1148 C4 A B 53 97.088 -40.591 -59.951 1.00 0.00 C ATOM 1149 P G B 54 101.292 -38.519 -57.753 1.00 0.00 P ATOM 1150 O1P G B 54 101.760 -38.994 -59.074 1.00 0.00 O ATOM 1151 O2P G B 54 101.846 -39.229 -56.580 1.00 0.00 O ATOM 1152 O5* G B 54 101.565 -36.948 -57.615 1.00 0.00 O ATOM 1153 C5* G B 54 101.544 -36.131 -58.799 1.00 0.00 C ATOM 1154 C4* G B 54 101.702 -34.671 -58.426 1.00 0.00 C ATOM 1155 O4* G B 54 100.511 -34.237 -57.706 1.00 0.00 O ATOM 1156 C3* G B 54 102.848 -34.348 -57.465 1.00 0.00 C ATOM 1157 O3* G B 54 104.056 -34.197 -58.146 1.00 0.00 O ATOM 1158 C2* G B 54 102.370 -33.053 -56.820 1.00 0.00 C ATOM 1159 O2* G B 54 102.536 -31.956 -57.705 1.00 0.00 O ATOM 1160 C1* G B 54 100.870 -33.302 -56.701 1.00 0.00 C ATOM 1161 N9 G B 54 100.460 -33.863 -55.384 1.00 0.00 N ATOM 1162 C8 G B 54 100.072 -35.146 -55.065 1.00 0.00 C ATOM 1163 N7 G B 54 99.769 -35.314 -53.800 1.00 0.00 N ATOM 1164 C5 G B 54 99.974 -34.053 -53.240 1.00 0.00 C ATOM 1165 C6 G B 54 99.810 -33.610 -51.902 1.00 0.00 C ATOM 1166 O6 G B 54 99.447 -34.248 -50.918 1.00 0.00 O ATOM 1167 N1 G B 54 100.124 -32.250 -51.772 1.00 0.00 N ATOM 1168 C2 G B 54 100.543 -31.427 -52.797 1.00 0.00 C ATOM 1169 N2 G B 54 100.795 -30.158 -52.467 1.00 0.00 N ATOM 1170 N3 G B 54 100.696 -31.844 -54.053 1.00 0.00 N ATOM 1171 C4 G B 54 100.393 -33.162 -54.200 1.00 0.00 C ATOM 1172 P G B 55 105.436 -34.669 -57.409 1.00 0.00 P ATOM 1173 O1P G B 55 106.532 -34.773 -58.399 1.00 0.00 O ATOM 1174 O2P G B 55 105.175 -35.882 -56.607 1.00 0.00 O ATOM 1175 O5* G B 55 105.699 -33.422 -56.442 1.00 0.00 O ATOM 1176 C5* G B 55 105.889 -32.117 -57.017 1.00 0.00 C ATOM 1177 C4* G B 55 105.996 -31.077 -55.921 1.00 0.00 C ATOM 1178 O4* G B 55 104.706 -30.958 -55.255 1.00 0.00 O ATOM 1179 C3* G B 55 106.967 -31.403 -54.785 1.00 0.00 C ATOM 1180 O3* G B 55 108.275 -31.045 -55.109 1.00 0.00 O ATOM 1181 C2* G B 55 106.398 -30.579 -53.630 1.00 0.00 C ATOM 1182 O2* G B 55 106.726 -29.208 -53.785 1.00 0.00 O ATOM 1183 C1* G B 55 104.898 -30.706 -53.873 1.00 0.00 C ATOM 1184 N9 G B 55 104.263 -31.819 -53.110 1.00 0.00 N ATOM 1185 C8 G B 55 103.813 -33.040 -53.564 1.00 0.00 C ATOM 1186 N7 G B 55 103.298 -33.798 -52.627 1.00 0.00 N ATOM 1187 C5 G B 55 103.417 -33.028 -51.472 1.00 0.00 C ATOM 1188 C6 G B 55 103.033 -33.316 -50.136 1.00 0.00 C ATOM 1189 O6 G B 55 102.500 -34.331 -49.689 1.00 0.00 O ATOM 1190 N1 G B 55 103.335 -32.254 -49.277 1.00 0.00 N ATOM 1191 C2 G B 55 103.932 -31.066 -49.655 1.00 0.00 C ATOM 1192 N2 G B 55 104.137 -30.175 -48.681 1.00 0.00 N ATOM 1193 N3 G B 55 104.291 -30.795 -50.907 1.00 0.00 N ATOM 1194 C4 G B 55 104.004 -31.818 -51.756 1.00 0.00 C ATOM 1195 P A B 56 109.504 -31.957 -54.542 1.00 0.00 P ATOM 1196 O1P A B 56 110.750 -31.649 -55.276 1.00 0.00 O ATOM 1197 O2P A B 56 109.093 -33.380 -54.532 1.00 0.00 O ATOM 1198 O5* A B 56 109.611 -31.412 -53.041 1.00 0.00 O ATOM 1199 C5* A B 56 109.908 -30.022 -52.820 1.00 0.00 C ATOM 1200 C4* A B 56 109.840 -29.704 -51.340 1.00 0.00 C ATOM 1201 O4* A B 56 108.457 -29.817 -50.900 1.00 0.00 O ATOM 1202 C3* A B 56 110.599 -30.657 -50.417 1.00 0.00 C ATOM 1203 O3* A B 56 111.946 -30.314 -50.321 1.00 0.00 O ATOM 1204 C2* A B 56 109.852 -30.487 -49.097 1.00 0.00 C ATOM 1205 O2* A B 56 110.215 -29.268 -48.467 1.00 0.00 O ATOM 1206 C1* A B 56 108.413 -30.327 -49.577 1.00 0.00 C ATOM 1207 N9 A B 56 107.645 -31.604 -49.601 1.00 0.00 N ATOM 1208 C8 A B 56 107.269 -32.370 -50.681 1.00 0.00 C ATOM 1209 N7 A B 56 106.601 -33.436 -50.365 1.00 0.00 N ATOM 1210 C5 A B 56 106.524 -33.385 -48.981 1.00 0.00 C ATOM 1211 C6 A B 56 105.937 -34.237 -48.031 1.00 0.00 C ATOM 1212 N6 A B 56 105.284 -35.363 -48.354 1.00 0.00 N ATOM 1213 N1 A B 56 106.046 -33.889 -46.736 1.00 0.00 N ATOM 1214 C2 A B 56 106.696 -32.770 -46.422 1.00 0.00 C ATOM 1215 N3 A B 56 107.282 -31.902 -47.217 1.00 0.00 N ATOM 1216 C4 A B 56 107.158 -32.271 -48.508 1.00 0.00 C ATOM 1217 P C B 57 113.737 -30.818 -50.349 1.00 0.00 P ATOM 1218 O1P C B 57 114.666 -29.805 -50.892 1.00 0.00 O ATOM 1219 O2P C B 57 114.174 -32.227 -50.476 1.00 0.00 O ATOM 1220 O5* C B 57 113.412 -30.488 -48.817 1.00 0.00 O ATOM 1221 C5* C B 57 112.885 -29.193 -48.479 1.00 0.00 C ATOM 1222 C4* C B 57 112.534 -29.144 -47.005 1.00 0.00 C ATOM 1223 O4* C B 57 111.409 -30.034 -46.757 1.00 0.00 O ATOM 1224 C3* C B 57 113.617 -29.645 -46.048 1.00 0.00 C ATOM 1225 O3* C B 57 114.543 -28.648 -45.754 1.00 0.00 O ATOM 1226 C2* C B 57 112.796 -30.062 -44.829 1.00 0.00 C ATOM 1227 O2* C B 57 112.385 -28.928 -44.087 1.00 0.00 O ATOM 1228 C1* C B 57 111.547 -30.643 -45.485 1.00 0.00 C ATOM 1229 N1 C B 57 111.607 -32.118 -45.681 1.00 0.00 N ATOM 1230 C2 C B 57 111.456 -32.930 -44.562 1.00 0.00 C ATOM 1231 O2 C B 57 111.280 -32.403 -43.459 1.00 0.00 O ATOM 1232 N3 C B 57 111.508 -34.279 -44.725 1.00 0.00 N ATOM 1233 C4 C B 57 111.700 -34.814 -45.937 1.00 0.00 C ATOM 1234 N4 C B 57 111.743 -36.134 -46.041 1.00 0.00 N ATOM 1235 C5 C B 57 111.856 -33.995 -47.102 1.00 0.00 C ATOM 1236 C6 C B 57 111.803 -32.653 -46.918 1.00 0.00 C ATOM 1237 P G B 58 116.098 -29.069 -45.504 1.00 0.00 P ATOM 1238 O1P G B 58 116.972 -27.875 -45.577 1.00 0.00 O ATOM 1239 O2P G B 58 116.459 -30.184 -46.409 1.00 0.00 O ATOM 1240 O5* G B 58 116.028 -29.596 -43.995 1.00 0.00 O ATOM 1241 C5* G B 58 115.609 -28.690 -42.959 1.00 0.00 C ATOM 1242 C4* G B 58 115.494 -29.428 -41.639 1.00 0.00 C ATOM 1243 O4* G B 58 114.388 -30.370 -41.721 1.00 0.00 O ATOM 1244 C3* G B 58 116.691 -30.299 -41.257 1.00 0.00 C ATOM 1245 O3* G B 58 117.687 -29.552 -40.635 1.00 0.00 O ATOM 1246 C2* G B 58 116.054 -31.327 -40.325 1.00 0.00 C ATOM 1247 O2* G B 58 115.804 -30.761 -39.049 1.00 0.00 O ATOM 1248 C1* G B 58 114.696 -31.544 -40.988 1.00 0.00 C ATOM 1249 N9 G B 58 114.671 -32.697 -41.929 1.00 0.00 N ATOM 1250 C8 G B 58 114.648 -32.697 -43.307 1.00 0.00 C ATOM 1251 N7 G B 58 114.628 -33.892 -43.843 1.00 0.00 N ATOM 1252 C5 G B 58 114.633 -34.748 -42.743 1.00 0.00 C ATOM 1253 C6 G B 58 114.619 -36.165 -42.684 1.00 0.00 C ATOM 1254 O6 G B 58 114.593 -36.973 -43.610 1.00 0.00 O ATOM 1255 N1 G B 58 114.633 -36.624 -41.361 1.00 0.00 N ATOM 1256 C2 G B 58 114.659 -35.822 -40.238 1.00 0.00 C ATOM 1257 N2 G B 58 114.670 -36.454 -39.064 1.00 0.00 N ATOM 1258 N3 G B 58 114.673 -34.491 -40.293 1.00 0.00 N ATOM 1259 C4 G B 58 114.658 -34.028 -41.571 1.00 0.00 C ATOM 1260 P U B 59 119.249 -29.968 -40.879 1.00 0.00 P ATOM 1261 O1P U B 59 120.145 -28.868 -40.453 1.00 0.00 O ATOM 1262 O2P U B 59 119.421 -30.433 -42.274 1.00 0.00 O ATOM 1263 O5* U B 59 119.392 -31.205 -39.872 1.00 0.00 O ATOM 1264 C5* U B 59 119.171 -30.987 -38.466 1.00 0.00 C ATOM 1265 C4* U B 59 119.234 -32.305 -37.723 1.00 0.00 C ATOM 1266 O4* U B 59 118.092 -33.122 -38.113 1.00 0.00 O ATOM 1267 C3* U B 59 120.443 -33.190 -38.036 1.00 0.00 C ATOM 1268 O3* U B 59 121.553 -32.828 -37.273 1.00 0.00 O ATOM 1269 C2* U B 59 119.920 -34.582 -37.687 1.00 0.00 C ATOM 1270 O2* U B 59 119.892 -34.772 -36.282 1.00 0.00 O ATOM 1271 C1* U B 59 118.470 -34.489 -38.152 1.00 0.00 C ATOM 1272 N1 U B 59 118.252 -34.987 -39.540 1.00 0.00 N ATOM 1273 C2 U B 59 118.285 -36.348 -39.726 1.00 0.00 C ATOM 1274 O2 U B 59 118.480 -37.138 -38.817 1.00 0.00 O ATOM 1275 N3 U B 59 118.077 -36.772 -41.023 1.00 0.00 N ATOM 1276 C4 U B 59 117.851 -35.969 -42.123 1.00 0.00 C ATOM 1277 O4 U B 59 117.679 -36.465 -43.238 1.00 0.00 O ATOM 1278 C5 U B 59 117.835 -34.556 -41.825 1.00 0.00 C ATOM 1279 C6 U B 59 118.033 -34.115 -40.572 1.00 0.00 C ATOM 1280 P G B 60 122.641 -34.089 -36.047 1.00 0.00 P ATOM 1281 O1P G B 60 124.005 -33.504 -36.190 1.00 0.00 O ATOM 1282 O2P G B 60 122.425 -35.393 -36.720 1.00 0.00 O ATOM 1283 O5* G B 60 122.645 -34.649 -34.066 1.00 0.00 O ATOM 1284 C5* G B 60 122.845 -35.249 -32.425 1.00 0.00 C ATOM 1285 C4* G B 60 123.777 -36.590 -31.449 1.00 0.00 C ATOM 1286 O4* G B 60 124.745 -36.559 -32.535 1.00 0.00 O ATOM 1287 C3* G B 60 124.636 -36.806 -30.199 1.00 0.00 C ATOM 1288 O3* G B 60 124.362 -37.710 -28.668 1.00 0.00 O ATOM 1289 C2* G B 60 125.728 -37.732 -30.720 1.00 0.00 C ATOM 1290 O2* G B 60 125.242 -39.056 -30.857 1.00 0.00 O ATOM 1291 C1* G B 60 125.946 -37.193 -32.128 1.00 0.00 C ATOM 1292 N9 G B 60 127.243 -36.048 -32.273 1.00 0.00 N ATOM 1293 C8 G B 60 128.566 -36.271 -32.580 1.00 0.00 C ATOM 1294 N7 G B 60 129.269 -35.170 -32.722 1.00 0.00 N ATOM 1295 C5 G B 60 128.349 -34.155 -32.483 1.00 0.00 C ATOM 1296 C6 G B 60 128.516 -32.749 -32.498 1.00 0.00 C ATOM 1297 O6 G B 60 129.533 -32.096 -32.716 1.00 0.00 O ATOM 1298 N1 G B 60 127.318 -32.080 -32.202 1.00 0.00 N ATOM 1299 C2 G B 60 126.109 -32.706 -31.948 1.00 0.00 C ATOM 1300 N2 G B 60 125.080 -31.887 -31.685 1.00 0.00 N ATOM 1301 N3 G B 60 125.949 -34.022 -31.933 1.00 0.00 N ATOM 1302 C4 G B 60 127.108 -34.682 -32.211 1.00 0.00 C ATOM 1303 P C B 61 124.820 -38.275 -26.787 1.00 0.00 P ATOM 1304 O1P C B 61 125.461 -37.301 -25.875 1.00 0.00 O ATOM 1305 O2P C B 61 125.284 -39.672 -26.663 1.00 0.00 O ATOM 1306 O5* C B 61 123.229 -38.219 -26.607 1.00 0.00 O ATOM 1307 C5* C B 61 122.407 -37.962 -27.762 1.00 0.00 C ATOM 1308 C4* C B 61 120.944 -38.079 -27.389 1.00 0.00 C ATOM 1309 O4* C B 61 120.645 -39.471 -27.074 1.00 0.00 O ATOM 1310 C3* C B 61 120.512 -37.316 -26.134 1.00 0.00 C ATOM 1311 O3* C B 61 120.226 -35.984 -26.421 1.00 0.00 O ATOM 1312 C2* C B 61 119.279 -38.101 -25.689 1.00 0.00 C ATOM 1313 O2* C B 61 118.163 -37.789 -26.510 1.00 0.00 O ATOM 1314 C1* C B 61 119.688 -39.534 -26.029 1.00 0.00 C ATOM 1315 N1 C B 61 120.300 -40.264 -24.887 1.00 0.00 N ATOM 1316 C2 C B 61 119.459 -40.695 -23.862 1.00 0.00 C ATOM 1317 O2 C B 61 118.249 -40.456 -23.948 1.00 0.00 O ATOM 1318 N3 C B 61 119.999 -41.366 -22.812 1.00 0.00 N ATOM 1319 C4 C B 61 121.314 -41.605 -22.759 1.00 0.00 C ATOM 1320 N4 C B 61 121.791 -42.261 -21.714 1.00 0.00 N ATOM 1321 C5 C B 61 122.197 -41.171 -23.801 1.00 0.00 C ATOM 1322 C6 C B 61 121.637 -40.505 -24.842 1.00 0.00 C ATOM 1323 P U B 62 120.837 -34.812 -25.146 1.00 0.00 P ATOM 1324 O1P U B 62 122.016 -34.047 -25.603 1.00 0.00 O ATOM 1325 O2P U B 62 120.953 -35.443 -23.812 1.00 0.00 O ATOM 1326 O5* U B 62 119.304 -33.860 -25.314 1.00 0.00 O ATOM 1327 C5* U B 62 118.099 -33.607 -26.030 1.00 0.00 C ATOM 1328 C4* U B 62 118.313 -32.987 -27.508 1.00 0.00 C ATOM 1329 O4* U B 62 119.243 -31.932 -27.888 1.00 0.00 O ATOM 1330 C3* U B 62 117.534 -33.276 -28.792 1.00 0.00 C ATOM 1331 O3* U B 62 117.496 -34.618 -29.558 1.00 0.00 O ATOM 1332 C2* U B 62 117.421 -31.884 -29.415 1.00 0.00 C ATOM 1333 O2* U B 62 116.432 -31.121 -28.749 1.00 0.00 O ATOM 1334 C1* U B 62 118.772 -31.273 -29.052 1.00 0.00 C ATOM 1335 N1 U B 62 119.959 -31.411 -30.261 1.00 0.00 N ATOM 1336 C2 U B 62 119.520 -31.568 -31.555 1.00 0.00 C ATOM 1337 O2 U B 62 118.340 -31.576 -31.858 1.00 0.00 O ATOM 1338 N3 U B 62 120.515 -31.718 -32.500 1.00 0.00 N ATOM 1339 C4 U B 62 121.872 -31.724 -32.271 1.00 0.00 C ATOM 1340 O4 U B 62 122.667 -31.867 -33.202 1.00 0.00 O ATOM 1341 C5 U B 62 122.235 -31.553 -30.882 1.00 0.00 C ATOM 1342 C6 U B 62 121.290 -31.407 -29.942 1.00 0.00 C ATOM 1343 P A B 63 119.081 -35.497 -29.846 1.00 0.00 P ATOM 1344 O1P A B 63 118.865 -36.964 -29.799 1.00 0.00 O ATOM 1345 O2P A B 63 120.201 -34.986 -29.029 1.00 0.00 O ATOM 1346 O5* A B 63 119.194 -34.871 -31.555 1.00 0.00 O ATOM 1347 C5* A B 63 119.266 -35.552 -32.815 1.00 0.00 C ATOM 1348 C4* A B 63 118.381 -36.918 -32.792 1.00 0.00 C ATOM 1349 O4* A B 63 117.118 -36.786 -32.075 1.00 0.00 O ATOM 1350 C3* A B 63 118.013 -37.709 -34.048 1.00 0.00 C ATOM 1351 O3* A B 63 119.136 -38.386 -34.891 1.00 0.00 O ATOM 1352 C2* A B 63 116.947 -38.666 -33.519 1.00 0.00 C ATOM 1353 O2* A B 63 117.538 -39.724 -32.783 1.00 0.00 O ATOM 1354 C1* A B 63 116.209 -37.783 -32.513 1.00 0.00 C ATOM 1355 N9 A B 63 114.834 -37.018 -33.124 1.00 0.00 N ATOM 1356 C8 A B 63 114.424 -35.717 -32.935 1.00 0.00 C ATOM 1357 N7 A B 63 113.234 -35.468 -33.384 1.00 0.00 N ATOM 1358 C5 A B 63 112.813 -36.679 -33.912 1.00 0.00 C ATOM 1359 C6 A B 63 111.624 -37.080 -34.543 1.00 0.00 C ATOM 1360 N6 A B 63 110.589 -36.256 -34.757 1.00 0.00 N ATOM 1361 N1 A B 63 111.535 -38.362 -34.943 1.00 0.00 N ATOM 1362 C2 A B 63 112.565 -39.175 -34.727 1.00 0.00 C ATOM 1363 N3 A B 63 113.722 -38.920 -34.150 1.00 0.00 N ATOM 1364 C4 A B 63 113.785 -37.629 -33.761 1.00 0.00 C ATOM 1365 P A B 64 120.749 -37.606 -35.377 1.00 0.00 P ATOM 1366 O1P A B 64 121.858 -38.557 -35.108 1.00 0.00 O ATOM 1367 O2P A B 64 120.842 -36.300 -34.682 1.00 0.00 O ATOM 1368 O5* A B 64 120.657 -37.403 -37.246 1.00 0.00 O ATOM 1369 C5* A B 64 121.224 -37.664 -38.655 1.00 0.00 C ATOM 1370 C4* A B 64 121.876 -39.250 -38.775 1.00 0.00 C ATOM 1371 O4* A B 64 121.465 -39.524 -37.404 1.00 0.00 O ATOM 1372 C3* A B 64 121.345 -40.447 -39.564 1.00 0.00 C ATOM 1373 O3* A B 64 122.108 -40.975 -40.923 1.00 0.00 O ATOM 1374 C2* A B 64 121.531 -41.593 -38.572 1.00 0.00 C ATOM 1375 O2* A B 64 122.887 -41.984 -38.506 1.00 0.00 O ATOM 1376 C1* A B 64 121.202 -40.911 -37.250 1.00 0.00 C ATOM 1377 N9 A B 64 119.562 -41.100 -36.729 1.00 0.00 N ATOM 1378 C8 A B 64 119.009 -42.135 -36.008 1.00 0.00 C ATOM 1379 N7 A B 64 117.801 -41.904 -35.600 1.00 0.00 N ATOM 1380 C5 A B 64 117.523 -40.632 -36.075 1.00 0.00 C ATOM 1381 C6 A B 64 116.391 -39.809 -35.973 1.00 0.00 C ATOM 1382 N6 A B 64 115.272 -40.171 -35.331 1.00 0.00 N ATOM 1383 N1 A B 64 116.441 -38.603 -36.562 1.00 0.00 N ATOM 1384 C2 A B 64 117.559 -38.249 -37.205 1.00 0.00 C ATOM 1385 N3 A B 64 118.672 -38.929 -37.362 1.00 0.00 N ATOM 1386 C4 A B 64 118.588 -40.134 -36.764 1.00 0.00 C ATOM 1387 P U B 65 123.808 -41.799 -41.309 1.00 0.00 P ATOM 1388 O1P U B 65 124.851 -40.994 -40.630 1.00 0.00 O ATOM 1389 O2P U B 65 123.939 -41.910 -42.779 1.00 0.00 O ATOM 1390 O5* U B 65 123.749 -43.262 -40.661 1.00 0.00 O ATOM 1391 C5* U B 65 124.564 -44.308 -41.220 1.00 0.00 C ATOM 1392 C4* U B 65 124.445 -45.563 -40.379 1.00 0.00 C ATOM 1393 O4* U B 65 125.063 -45.321 -39.083 1.00 0.00 O ATOM 1394 C3* U B 65 123.021 -46.003 -40.034 1.00 0.00 C ATOM 1395 O3* U B 65 122.456 -46.758 -41.058 1.00 0.00 O ATOM 1396 C2* U B 65 123.238 -46.808 -38.756 1.00 0.00 C ATOM 1397 O2* U B 65 123.773 -48.086 -39.053 1.00 0.00 O ATOM 1398 C1* U B 65 124.346 -46.011 -38.072 1.00 0.00 C ATOM 1399 N1 U B 65 123.844 -45.002 -37.097 1.00 0.00 N ATOM 1400 C2 U B 65 123.368 -45.477 -35.897 1.00 0.00 C ATOM 1401 O2 U B 65 123.345 -46.662 -35.614 1.00 0.00 O ATOM 1402 N3 U B 65 122.913 -44.512 -35.021 1.00 0.00 N ATOM 1403 C4 U B 65 122.893 -43.149 -35.238 1.00 0.00 C ATOM 1404 O4 U B 65 122.458 -42.383 -34.374 1.00 0.00 O ATOM 1405 C5 U B 65 123.411 -42.751 -36.524 1.00 0.00 C ATOM 1406 C6 U B 65 123.861 -43.665 -37.398 1.00 0.00 C ATOM 1407 P C B 66 120.851 -46.633 -41.328 1.00 0.00 P ATOM 1408 O1P C B 66 120.510 -47.206 -42.650 1.00 0.00 O ATOM 1409 O2P C B 66 120.419 -45.236 -41.102 1.00 0.00 O ATOM 1410 O5* C B 66 120.275 -47.575 -40.167 1.00 0.00 O ATOM 1411 C5* C B 66 120.648 -48.966 -40.147 1.00 0.00 C ATOM 1412 C4* C B 66 120.096 -49.630 -38.902 1.00 0.00 C ATOM 1413 O4* C B 66 120.783 -49.088 -37.735 1.00 0.00 O ATOM 1414 C3* C B 66 118.620 -49.378 -38.611 1.00 0.00 C ATOM 1415 O3* C B 66 117.801 -50.260 -39.318 1.00 0.00 O ATOM 1416 C2* C B 66 118.547 -49.593 -37.101 1.00 0.00 C ATOM 1417 O2* C B 66 118.579 -50.975 -36.789 1.00 0.00 O ATOM 1418 C1* C B 66 119.879 -49.003 -36.645 1.00 0.00 C ATOM 1419 N1 C B 66 119.789 -47.574 -36.232 1.00 0.00 N ATOM 1420 C2 C B 66 119.189 -47.288 -35.008 1.00 0.00 C ATOM 1421 O2 C B 66 118.758 -48.224 -34.322 1.00 0.00 O ATOM 1422 N3 C B 66 119.097 -45.993 -34.616 1.00 0.00 N ATOM 1423 C4 C B 66 119.576 -45.007 -35.388 1.00 0.00 C ATOM 1424 N4 C B 66 119.462 -43.762 -34.957 1.00 0.00 N ATOM 1425 C5 C B 66 120.199 -45.282 -36.647 1.00 0.00 C ATOM 1426 C6 C B 66 120.279 -46.582 -37.023 1.00 0.00 C ATOM 1427 P U B 67 116.125 -50.620 -40.761 1.00 0.00 P ATOM 1428 O1P U B 67 115.172 -50.109 -39.751 1.00 0.00 O ATOM 1429 O2P U B 67 116.479 -52.053 -40.641 1.00 0.00 O ATOM 1430 O5* U B 67 115.563 -50.322 -42.232 1.00 0.00 O ATOM 1431 C5* U B 67 115.876 -51.237 -43.295 1.00 0.00 C ATOM 1432 C4* U B 67 115.145 -50.833 -44.561 1.00 0.00 C ATOM 1433 O4* U B 67 113.716 -51.035 -44.360 1.00 0.00 O ATOM 1434 C3* U B 67 115.255 -49.359 -44.952 1.00 0.00 C ATOM 1435 O3* U B 67 116.422 -49.110 -45.673 1.00 0.00 O ATOM 1436 C2* U B 67 113.995 -49.153 -45.785 1.00 0.00 C ATOM 1437 O2* U B 67 114.147 -49.715 -47.077 1.00 0.00 O ATOM 1438 C1* U B 67 112.988 -50.022 -45.038 1.00 0.00 C ATOM 1439 N1 U B 67 112.186 -49.276 -44.028 1.00 0.00 N ATOM 1440 C2 U B 67 111.201 -48.447 -44.500 1.00 0.00 C ATOM 1441 O2 U B 67 110.965 -48.304 -45.688 1.00 0.00 O ATOM 1442 N3 U B 67 110.479 -47.773 -43.535 1.00 0.00 N ATOM 1443 C4 U B 67 110.657 -47.859 -42.169 1.00 0.00 C ATOM 1444 O4 U B 67 109.947 -47.207 -41.402 1.00 0.00 O ATOM 1445 C5 U B 67 111.716 -48.754 -41.769 1.00 0.00 C ATOM 1446 C6 U B 67 112.432 -49.424 -42.686 1.00 0.00 C ATOM 1447 P G B 68 116.593 -47.098 -45.796 1.00 0.00 P ATOM 1448 O1P G B 68 115.498 -46.392 -46.500 1.00 0.00 O ATOM 1449 O2P G B 68 117.934 -46.977 -46.406 1.00 0.00 O ATOM 1450 O5* G B 68 116.646 -46.622 -44.269 1.00 0.00 O ATOM 1451 C5* G B 68 117.056 -47.559 -43.258 1.00 0.00 C ATOM 1452 C4* G B 68 117.155 -46.864 -41.915 1.00 0.00 C ATOM 1453 O4* G B 68 118.262 -45.921 -41.955 1.00 0.00 O ATOM 1454 C3* G B 68 115.954 -46.008 -41.517 1.00 0.00 C ATOM 1455 O3* G B 68 114.949 -46.773 -40.930 1.00 0.00 O ATOM 1456 C2* G B 68 116.579 -45.010 -40.545 1.00 0.00 C ATOM 1457 O2* G B 68 116.817 -45.615 -39.286 1.00 0.00 O ATOM 1458 C1* G B 68 117.943 -44.770 -41.185 1.00 0.00 C ATOM 1459 N9 G B 68 117.982 -43.588 -42.088 1.00 0.00 N ATOM 1460 C8 G B 68 118.019 -43.545 -43.466 1.00 0.00 C ATOM 1461 N7 G B 68 118.045 -42.330 -43.962 1.00 0.00 N ATOM 1462 C5 G B 68 118.027 -41.512 -42.832 1.00 0.00 C ATOM 1463 C6 G B 68 118.041 -40.097 -42.731 1.00 0.00 C ATOM 1464 O6 G B 68 118.074 -39.261 -43.628 1.00 0.00 O ATOM 1465 N1 G B 68 118.011 -39.681 -41.392 1.00 0.00 N ATOM 1466 C2 G B 68 117.972 -40.520 -40.296 1.00 0.00 C ATOM 1467 N2 G B 68 117.948 -39.927 -39.103 1.00 0.00 N ATOM 1468 N3 G B 68 117.959 -41.849 -40.394 1.00 0.00 N ATOM 1469 C4 G B 68 117.987 -42.269 -41.686 1.00 0.00 C ATOM 1470 P C B 69 113.393 -46.348 -41.178 1.00 0.00 P ATOM 1471 O1P C B 69 112.493 -47.462 -40.796 1.00 0.00 O ATOM 1472 O2P C B 69 113.236 -45.838 -42.556 1.00 0.00 O ATOM 1473 O5* C B 69 113.238 -45.146 -40.132 1.00 0.00 O ATOM 1474 C5* C B 69 113.443 -45.409 -38.731 1.00 0.00 C ATOM 1475 C4* C B 69 113.371 -44.114 -37.946 1.00 0.00 C ATOM 1476 O4* C B 69 114.519 -43.287 -38.299 1.00 0.00 O ATOM 1477 C3* C B 69 112.167 -43.221 -38.242 1.00 0.00 C ATOM 1478 O3* C B 69 111.048 -43.608 -37.509 1.00 0.00 O ATOM 1479 C2* C B 69 112.685 -41.841 -37.843 1.00 0.00 C ATOM 1480 O2* C B 69 112.698 -41.697 -36.434 1.00 0.00 O ATOM 1481 C1* C B 69 114.141 -41.919 -38.296 1.00 0.00 C ATOM 1482 N1 C B 69 114.374 -41.377 -39.665 1.00 0.00 N ATOM 1483 C2 C B 69 114.345 -39.994 -39.826 1.00 0.00 C ATOM 1484 O2 C B 69 114.131 -39.281 -38.837 1.00 0.00 O ATOM 1485 N3 C B 69 114.556 -39.478 -41.065 1.00 0.00 N ATOM 1486 C4 C B 69 114.783 -40.285 -42.111 1.00 0.00 C ATOM 1487 N4 C B 69 114.980 -39.733 -43.297 1.00 0.00 N ATOM 1488 C5 C B 69 114.815 -41.709 -41.962 1.00 0.00 C ATOM 1489 C6 C B 69 114.603 -42.204 -40.718 1.00 0.00 C ATOM 1490 P G B 70 109.570 -43.434 -38.175 1.00 0.00 P ATOM 1491 O1P G B 70 108.570 -44.221 -37.420 1.00 0.00 O ATOM 1492 O2P G B 70 109.649 -43.718 -39.625 1.00 0.00 O ATOM 1493 O5* G B 70 109.317 -41.872 -37.942 1.00 0.00 O ATOM 1494 C5* G B 70 109.293 -41.361 -36.596 1.00 0.00 C ATOM 1495 C4* G B 70 109.167 -39.850 -36.618 1.00 0.00 C ATOM 1496 O4* G B 70 110.392 -39.283 -37.165 1.00 0.00 O ATOM 1497 C3* G B 70 108.066 -39.288 -37.518 1.00 0.00 C ATOM 1498 O3* G B 70 106.832 -39.277 -36.871 1.00 0.00 O ATOM 1499 C2* G B 70 108.584 -37.882 -37.817 1.00 0.00 C ATOM 1500 O2* G B 70 108.390 -37.026 -36.703 1.00 0.00 O ATOM 1501 C1* G B 70 110.087 -38.126 -37.929 1.00 0.00 C ATOM 1502 N9 G B 70 110.548 -38.367 -39.326 1.00 0.00 N ATOM 1503 C8 G B 70 110.937 -39.543 -39.927 1.00 0.00 C ATOM 1504 N7 G B 70 111.294 -39.410 -41.184 1.00 0.00 N ATOM 1505 C5 G B 70 111.127 -38.048 -41.433 1.00 0.00 C ATOM 1506 C6 G B 70 111.354 -37.302 -42.617 1.00 0.00 C ATOM 1507 O6 G B 70 111.753 -37.694 -43.708 1.00 0.00 O ATOM 1508 N1 G B 70 111.059 -35.944 -42.431 1.00 0.00 N ATOM 1509 C2 G B 70 110.602 -35.380 -41.254 1.00 0.00 C ATOM 1510 N2 G B 70 110.378 -34.065 -41.281 1.00 0.00 N ATOM 1511 N3 G B 70 110.390 -36.083 -40.142 1.00 0.00 N ATOM 1512 C4 G B 70 110.675 -37.401 -40.306 1.00 0.00 C ATOM 1513 P A B 71 105.397 -39.587 -38.234 1.00 0.00 P ATOM 1514 O1P A B 71 106.112 -39.613 -39.534 1.00 0.00 O ATOM 1515 O2P A B 71 104.483 -38.445 -38.028 1.00 0.00 O ATOM 1516 O5* A B 71 104.148 -41.109 -38.365 1.00 0.00 O ATOM 1517 C5* A B 71 102.605 -41.517 -38.633 1.00 0.00 C ATOM 1518 C4* A B 71 101.389 -42.567 -39.494 1.00 0.00 C ATOM 1519 O4* A B 71 101.837 -43.806 -40.114 1.00 0.00 O ATOM 1520 C3* A B 71 99.975 -42.879 -39.011 1.00 0.00 C ATOM 1521 O3* A B 71 98.906 -42.247 -38.115 1.00 0.00 O ATOM 1522 C2* A B 71 99.460 -43.805 -40.112 1.00 0.00 C ATOM 1523 O2* A B 71 99.109 -43.059 -41.269 1.00 0.00 O ATOM 1524 C1* A B 71 100.712 -44.601 -40.456 1.00 0.00 C ATOM 1525 N9 A B 71 100.849 -46.125 -39.636 1.00 0.00 N ATOM 1526 C8 A B 71 101.165 -46.367 -38.319 1.00 0.00 C ATOM 1527 N7 A B 71 101.173 -47.628 -38.001 1.00 0.00 N ATOM 1528 C5 A B 71 100.840 -48.272 -39.187 1.00 0.00 C ATOM 1529 C6 A B 71 100.677 -49.628 -39.515 1.00 0.00 C ATOM 1530 N6 A B 71 100.844 -50.624 -38.636 1.00 0.00 N ATOM 1531 N1 A B 71 100.353 -49.926 -40.791 1.00 0.00 N ATOM 1532 C2 A B 71 100.194 -48.928 -41.662 1.00 0.00 C ATOM 1533 N3 A B 71 100.309 -47.630 -41.468 1.00 0.00 N ATOM 1534 C4 A B 71 100.643 -47.364 -40.185 1.00 0.00 C ATOM 1535 P U B 72 99.072 -40.735 -37.124 1.00 0.00 P ATOM 1536 O1P U B 72 100.415 -40.141 -37.291 1.00 0.00 O ATOM 1537 O2P U B 72 98.602 -40.877 -35.726 1.00 0.00 O ATOM 1538 O5* U B 72 97.758 -39.947 -38.063 1.00 0.00 O ATOM 1539 C5* U B 72 96.871 -38.895 -38.217 1.00 0.00 C ATOM 1540 C4* U B 72 97.866 -37.712 -37.927 1.00 0.00 C ATOM 1541 O4* U B 72 98.593 -37.630 -36.668 1.00 0.00 O ATOM 1542 C3* U B 72 98.780 -37.004 -38.927 1.00 0.00 C ATOM 1543 O3* U B 72 98.455 -37.272 -40.556 1.00 0.00 O ATOM 1544 C2* U B 72 99.378 -35.885 -38.081 1.00 0.00 C ATOM 1545 O2* U B 72 98.439 -34.842 -37.895 1.00 0.00 O ATOM 1546 C1* U B 72 99.543 -36.578 -36.730 1.00 0.00 C ATOM 1547 N1 U B 72 101.121 -37.248 -36.446 1.00 0.00 N ATOM 1548 C2 U B 72 102.202 -36.424 -36.685 1.00 0.00 C ATOM 1549 O2 U B 72 102.098 -35.333 -37.209 1.00 0.00 O ATOM 1550 N3 U B 72 103.427 -36.919 -36.284 1.00 0.00 N ATOM 1551 C4 U B 72 103.657 -38.142 -35.681 1.00 0.00 C ATOM 1552 O4 U B 72 104.802 -38.473 -35.365 1.00 0.00 O ATOM 1553 C5 U B 72 102.472 -38.933 -35.477 1.00 0.00 C ATOM 1554 C6 U B 72 101.264 -38.475 -35.856 1.00 0.00 C ATOM 1555 P A B 73 96.789 -37.093 -41.586 1.00 0.00 P ATOM 1556 O1P A B 73 96.765 -35.699 -42.097 1.00 0.00 O ATOM 1557 O2P A B 73 95.774 -37.417 -40.559 1.00 0.00 O ATOM 1558 O5* A B 73 96.249 -38.147 -43.169 1.00 0.00 O ATOM 1559 C5* A B 73 96.004 -38.781 -44.744 1.00 0.00 C ATOM 1560 C4* A B 73 97.273 -39.246 -46.008 1.00 0.00 C ATOM 1561 O4* A B 73 97.109 -38.604 -47.308 1.00 0.00 O ATOM 1562 C3* A B 73 98.641 -39.917 -46.102 1.00 0.00 C ATOM 1563 O3* A B 73 100.120 -40.028 -45.188 1.00 0.00 O ATOM 1564 C2* A B 73 98.679 -40.372 -47.561 1.00 0.00 C ATOM 1565 O2* A B 73 97.877 -41.529 -47.745 1.00 0.00 O ATOM 1566 C1* A B 73 97.968 -39.221 -48.258 1.00 0.00 C ATOM 1567 N9 A B 73 98.986 -38.049 -48.887 1.00 0.00 N ATOM 1568 C8 A B 73 99.498 -36.940 -48.262 1.00 0.00 C ATOM 1569 N7 A B 73 100.403 -36.313 -48.951 1.00 0.00 N ATOM 1570 C5 A B 73 100.504 -37.053 -50.119 1.00 0.00 C ATOM 1571 C6 A B 73 101.298 -36.908 -51.269 1.00 0.00 C ATOM 1572 N6 A B 73 102.182 -35.913 -51.441 1.00 0.00 N ATOM 1573 N1 A B 73 101.144 -37.823 -52.246 1.00 0.00 N ATOM 1574 C2 A B 73 100.264 -38.807 -52.072 1.00 0.00 C ATOM 1575 N3 A B 73 99.476 -39.044 -51.051 1.00 0.00 N ATOM 1576 C4 A B 73 99.644 -38.112 -50.086 1.00 0.00 C ATOM 1577 P A B 74 101.107 -41.164 -43.884 1.00 0.00 P ATOM 1578 O1P A B 74 100.436 -42.019 -42.881 1.00 0.00 O ATOM 1579 O2P A B 74 102.078 -40.184 -43.346 1.00 0.00 O ATOM 1580 O5* A B 74 101.817 -42.078 -44.990 1.00 0.00 O ATOM 1581 C5* A B 74 101.644 -41.750 -46.381 1.00 0.00 C ATOM 1582 C4* A B 74 102.497 -42.666 -47.238 1.00 0.00 C ATOM 1583 O4* A B 74 103.902 -42.358 -46.997 1.00 0.00 O ATOM 1584 C3* A B 74 102.388 -44.159 -46.931 1.00 0.00 C ATOM 1585 O3* A B 74 101.300 -44.737 -47.583 1.00 0.00 O ATOM 1586 C2* A B 74 103.728 -44.687 -47.438 1.00 0.00 C ATOM 1587 O2* A B 74 103.730 -44.773 -48.853 1.00 0.00 O ATOM 1588 C1* A B 74 104.670 -43.549 -47.063 1.00 0.00 C ATOM 1589 N9 A B 74 105.341 -43.735 -45.747 1.00 0.00 N ATOM 1590 C8 A B 74 105.092 -43.101 -44.548 1.00 0.00 C ATOM 1591 N7 A B 74 105.853 -43.491 -43.576 1.00 0.00 N ATOM 1592 C5 A B 74 106.670 -44.454 -44.156 1.00 0.00 C ATOM 1593 C6 A B 74 107.703 -45.254 -43.643 1.00 0.00 C ATOM 1594 N6 A B 74 108.111 -45.209 -42.368 1.00 0.00 N ATOM 1595 N1 A B 74 108.307 -46.105 -44.493 1.00 0.00 N ATOM 1596 C2 A B 74 107.897 -46.148 -45.762 1.00 0.00 C ATOM 1597 N3 A B 74 106.948 -45.453 -46.350 1.00 0.00 N ATOM 1598 C4 A B 74 106.362 -44.606 -45.478 1.00 0.00 C ATOM 1599 P G B 75 99.331 -44.784 -46.736 1.00 0.00 P ATOM 1600 O1P G B 75 99.329 -46.142 -46.151 1.00 0.00 O ATOM 1601 O2P G B 75 98.608 -44.640 -48.017 1.00 0.00 O ATOM 1602 O5* G B 75 97.851 -43.909 -45.480 1.00 0.00 O ATOM 1603 C5* G B 75 96.486 -43.201 -44.431 1.00 0.00 C ATOM 1604 C4* G B 75 94.681 -43.244 -43.499 1.00 0.00 C ATOM 1605 O4* G B 75 94.336 -43.522 -44.883 1.00 0.00 O ATOM 1606 C3* G B 75 93.476 -43.758 -42.708 1.00 0.00 C ATOM 1607 O3* G B 75 92.539 -43.631 -40.783 1.00 0.00 O ATOM 1608 C2* G B 75 92.317 -43.418 -43.639 1.00 0.00 C ATOM 1609 O2* G B 75 92.016 -42.032 -43.581 1.00 0.00 O ATOM 1610 C1* G B 75 92.928 -43.677 -45.008 1.00 0.00 C ATOM 1611 N9 G B 75 92.619 -45.194 -45.633 1.00 0.00 N ATOM 1612 C8 G B 75 91.552 -46.038 -45.389 1.00 0.00 C ATOM 1613 N7 G B 75 91.577 -47.139 -46.100 1.00 0.00 N ATOM 1614 C5 G B 75 92.739 -47.018 -46.861 1.00 0.00 C ATOM 1615 C6 G B 75 93.297 -47.902 -47.819 1.00 0.00 C ATOM 1616 O6 G B 75 92.874 -48.995 -48.199 1.00 0.00 O ATOM 1617 N1 G B 75 94.481 -47.388 -48.362 1.00 0.00 N ATOM 1618 C2 G B 75 95.061 -46.180 -48.019 1.00 0.00 C ATOM 1619 N2 G B 75 96.196 -45.874 -48.647 1.00 0.00 N ATOM 1620 N3 G B 75 94.532 -45.354 -47.118 1.00 0.00 N ATOM 1621 C4 G B 75 93.380 -45.837 -46.583 1.00 0.00 C ATOM 1622 P C B 76 91.335 -44.560 -38.595 1.00 0.00 P ATOM 1623 O1P C B 76 90.574 -43.389 -39.083 1.00 0.00 O ATOM 1624 O2P C B 76 92.525 -44.930 -39.392 1.00 0.00 O ATOM 1625 O5* C B 76 90.360 -45.823 -38.461 1.00 0.00 O ATOM 1626 C5* C B 76 89.043 -45.635 -37.913 1.00 0.00 C ATOM 1627 C4* C B 76 88.256 -46.925 -37.994 1.00 0.00 C ATOM 1628 O4* C B 76 87.988 -47.225 -39.395 1.00 0.00 O ATOM 1629 C3* C B 76 88.972 -48.176 -37.482 1.00 0.00 C ATOM 1630 O3* C B 76 88.843 -48.308 -36.100 1.00 0.00 O ATOM 1631 C2* C B 76 88.261 -49.289 -38.247 1.00 0.00 C ATOM 1632 O2* C B 76 86.983 -49.548 -37.691 1.00 0.00 O ATOM 1633 C1* C B 76 88.028 -48.627 -39.602 1.00 0.00 C ATOM 1634 N1 C B 76 89.095 -48.914 -40.600 1.00 0.00 N ATOM 1635 C2 C B 76 89.128 -50.184 -41.172 1.00 0.00 C ATOM 1636 O2 C B 76 88.275 -51.011 -40.831 1.00 0.00 O ATOM 1637 N3 C B 76 90.096 -50.465 -42.082 1.00 0.00 N ATOM 1638 C4 C B 76 91.000 -49.538 -42.427 1.00 0.00 C ATOM 1639 N4 C B 76 91.922 -49.864 -43.319 1.00 0.00 N ATOM 1640 C5 C B 76 90.983 -48.229 -41.852 1.00 0.00 C ATOM 1641 C6 C B 76 90.011 -47.966 -40.942 1.00 0.00 C ATOM 1642 P G B 77 90.078 -48.964 -35.255 1.00 0.00 P ATOM 1643 O1P G B 77 89.917 -48.685 -33.811 1.00 0.00 O ATOM 1644 O2P G B 77 91.362 -48.540 -35.854 1.00 0.00 O ATOM 1645 O5* G B 77 89.839 -50.522 -35.536 1.00 0.00 O ATOM 1646 C5* G B 77 88.602 -51.125 -35.117 1.00 0.00 C ATOM 1647 C4* G B 77 88.540 -52.563 -35.593 1.00 0.00 C ATOM 1648 O4* G B 77 88.434 -52.575 -37.047 1.00 0.00 O ATOM 1649 C3* G B 77 89.776 -53.414 -35.307 1.00 0.00 C ATOM 1650 O3* G B 77 89.743 -53.946 -34.020 1.00 0.00 O ATOM 1651 C2* G B 77 89.687 -54.486 -36.389 1.00 0.00 C ATOM 1652 O2* G B 77 88.699 -55.450 -36.065 1.00 0.00 O ATOM 1653 C1* G B 77 89.146 -53.684 -37.571 1.00 0.00 C ATOM 1654 N9 G B 77 90.210 -53.161 -38.473 1.00 0.00 N ATOM 1655 C8 G B 77 90.681 -51.874 -38.613 1.00 0.00 C ATOM 1656 N7 G B 77 91.633 -51.747 -39.506 1.00 0.00 N ATOM 1657 C5 G B 77 91.805 -53.040 -39.994 1.00 0.00 C ATOM 1658 C6 G B 77 92.695 -53.534 -40.981 1.00 0.00 C ATOM 1659 O6 G B 77 93.531 -52.921 -41.642 1.00 0.00 O ATOM 1660 N1 G B 77 92.536 -54.914 -41.170 1.00 0.00 N ATOM 1661 C2 G B 77 91.634 -55.713 -40.495 1.00 0.00 C ATOM 1662 N2 G B 77 91.638 -57.008 -40.818 1.00 0.00 N ATOM 1663 N3 G B 77 90.803 -55.249 -39.565 1.00 0.00 N ATOM 1664 C4 G B 77 90.941 -53.911 -39.371 1.00 0.00 C ATOM 1665 P U B 78 91.149 -54.141 -33.212 1.00 0.00 P ATOM 1666 O1P U B 78 90.889 -54.360 -31.773 1.00 0.00 O ATOM 1667 O2P U B 78 92.061 -53.021 -33.537 1.00 0.00 O ATOM 1668 O5* U B 78 91.692 -55.489 -33.876 1.00 0.00 O ATOM 1669 C5* U B 78 90.908 -56.693 -33.758 1.00 0.00 C ATOM 1670 C4* U B 78 91.545 -57.809 -34.559 1.00 0.00 C ATOM 1671 O4* U B 78 91.443 -57.488 -35.978 1.00 0.00 O ATOM 1672 C3* U B 78 93.044 -58.020 -34.334 1.00 0.00 C ATOM 1673 O3* U B 78 93.287 -58.822 -33.223 1.00 0.00 O ATOM 1674 C2* U B 78 93.472 -58.682 -35.644 1.00 0.00 C ATOM 1675 O2* U B 78 93.080 -60.043 -35.671 1.00 0.00 O ATOM 1676 C1* U B 78 92.600 -57.950 -36.658 1.00 0.00 C ATOM 1677 N1 U B 78 93.268 -56.772 -37.281 1.00 0.00 N ATOM 1678 C2 U B 78 94.239 -57.030 -38.222 1.00 0.00 C ATOM 1679 O2 U B 78 94.563 -58.159 -38.549 1.00 0.00 O ATOM 1680 N3 U B 78 94.834 -55.915 -38.779 1.00 0.00 N ATOM 1681 C4 U B 78 94.545 -54.598 -38.482 1.00 0.00 C ATOM 1682 O4 U B 78 95.146 -53.683 -39.049 1.00 0.00 O ATOM 1683 C5 U B 78 93.514 -54.430 -37.489 1.00 0.00 C ATOM 1684 C6 U B 78 92.917 -55.498 -36.929 1.00 0.00 C ATOM 1685 P C B 79 94.619 -58.534 -32.323 1.00 0.00 P ATOM 1686 O1P C B 79 94.511 -59.217 -31.016 1.00 0.00 O ATOM 1687 O2P C B 79 94.870 -57.076 -32.270 1.00 0.00 O ATOM 1688 O5* C B 79 95.743 -59.242 -33.216 1.00 0.00 O ATOM 1689 C5* C B 79 95.638 -60.655 -33.475 1.00 0.00 C ATOM 1690 C4* C B 79 96.729 -61.087 -34.436 1.00 0.00 C ATOM 1691 O4* C B 79 96.470 -60.491 -35.742 1.00 0.00 O ATOM 1692 C3* C B 79 98.144 -60.616 -34.092 1.00 0.00 C ATOM 1693 O3* C B 79 98.757 -61.471 -33.177 1.00 0.00 O ATOM 1694 C2* C B 79 98.824 -60.634 -35.461 1.00 0.00 C ATOM 1695 O2* C B 79 99.141 -61.958 -35.847 1.00 0.00 O ATOM 1696 C1* C B 79 97.696 -60.161 -36.372 1.00 0.00 C ATOM 1697 N1 C B 79 97.702 -58.693 -36.617 1.00 0.00 N ATOM 1698 C2 C B 79 98.673 -58.184 -37.477 1.00 0.00 C ATOM 1699 O2 C B 79 99.480 -58.966 -37.994 1.00 0.00 O ATOM 1700 N3 C B 79 98.697 -56.849 -37.720 1.00 0.00 N ATOM 1701 C4 C B 79 97.804 -56.034 -37.140 1.00 0.00 C ATOM 1702 N4 C B 79 97.868 -54.742 -37.408 1.00 0.00 N ATOM 1703 C5 C B 79 96.796 -56.536 -36.256 1.00 0.00 C ATOM 1704 C6 C B 79 96.791 -57.876 -36.028 1.00 0.00 C ATOM 1705 P G B 80 99.792 -60.836 -32.084 1.00 0.00 P ATOM 1706 O1P G B 80 100.045 -61.808 -30.996 1.00 0.00 O ATOM 1707 O2P G B 80 99.305 -59.504 -31.662 1.00 0.00 O ATOM 1708 O5* G B 80 101.109 -60.673 -32.979 1.00 0.00 O ATOM 1709 C5* G B 80 101.698 -61.844 -33.572 1.00 0.00 C ATOM 1710 C4* G B 80 102.852 -61.444 -34.471 1.00 0.00 C ATOM 1711 O4* G B 80 102.323 -60.725 -35.623 1.00 0.00 O ATOM 1712 C3* G B 80 103.867 -60.473 -33.862 1.00 0.00 C ATOM 1713 O3* G B 80 104.825 -61.144 -33.108 1.00 0.00 O ATOM 1714 C2* G B 80 104.454 -59.808 -35.103 1.00 0.00 C ATOM 1715 O2* G B 80 105.370 -60.672 -35.752 1.00 0.00 O ATOM 1716 C1* G B 80 103.229 -59.703 -36.008 1.00 0.00 C ATOM 1717 N9 G B 80 102.521 -58.397 -35.905 1.00 0.00 N ATOM 1718 C8 G B 80 101.324 -58.102 -35.288 1.00 0.00 C ATOM 1719 N7 G B 80 100.973 -56.842 -35.379 1.00 0.00 N ATOM 1720 C5 G B 80 102.010 -56.261 -36.107 1.00 0.00 C ATOM 1721 C6 G B 80 102.193 -54.915 -36.520 1.00 0.00 C ATOM 1722 O6 G B 80 101.467 -53.946 -36.329 1.00 0.00 O ATOM 1723 N1 G B 80 103.388 -54.761 -37.242 1.00 0.00 N ATOM 1724 C2 G B 80 104.287 -55.772 -37.520 1.00 0.00 C ATOM 1725 N2 G B 80 105.367 -55.420 -38.220 1.00 0.00 N ATOM 1726 N3 G B 80 104.114 -57.032 -37.128 1.00 0.00 N ATOM 1727 C4 G B 80 102.960 -57.201 -36.432 1.00 0.00 C ATOM 1728 P G B 81 105.433 -60.408 -31.782 1.00 0.00 P ATOM 1729 O1P G B 81 106.137 -61.393 -30.929 1.00 0.00 O ATOM 1730 O2P G B 81 104.366 -59.625 -31.120 1.00 0.00 O ATOM 1731 O5* G B 81 106.498 -59.415 -32.454 1.00 0.00 O ATOM 1732 C5* G B 81 107.576 -59.970 -33.228 1.00 0.00 C ATOM 1733 C4* G B 81 108.380 -58.856 -33.867 1.00 0.00 C ATOM 1734 O4* G B 81 107.556 -58.196 -34.871 1.00 0.00 O ATOM 1735 C3* G B 81 108.802 -57.720 -32.934 1.00 0.00 C ATOM 1736 O3* G B 81 109.974 -58.033 -32.247 1.00 0.00 O ATOM 1737 C2* G B 81 108.980 -56.556 -33.907 1.00 0.00 C ATOM 1738 O2* G B 81 110.196 -56.687 -34.626 1.00 0.00 O ATOM 1739 C1* G B 81 107.849 -56.809 -34.899 1.00 0.00 C ATOM 1740 N9 G B 81 106.597 -56.069 -34.576 1.00 0.00 N ATOM 1741 C8 G B 81 105.415 -56.546 -34.053 1.00 0.00 C ATOM 1742 N7 G B 81 104.495 -55.623 -33.890 1.00 0.00 N ATOM 1743 C5 G B 81 105.113 -54.454 -34.334 1.00 0.00 C ATOM 1744 C6 G B 81 104.617 -53.128 -34.396 1.00 0.00 C ATOM 1745 O6 G B 81 103.515 -52.699 -34.071 1.00 0.00 O ATOM 1746 N1 G B 81 105.581 -52.248 -34.911 1.00 0.00 N ATOM 1747 C2 G B 81 106.852 -52.602 -35.314 1.00 0.00 C ATOM 1748 N2 G B 81 107.621 -51.616 -35.778 1.00 0.00 N ATOM 1749 N3 G B 81 107.317 -53.848 -35.250 1.00 0.00 N ATOM 1750 C4 G B 81 106.397 -54.715 -34.754 1.00 0.00 C ATOM 1751 P U B 82 110.165 -57.471 -30.726 1.00 0.00 P ATOM 1752 O1P U B 82 111.264 -58.196 -30.048 1.00 0.00 O ATOM 1753 O2P U B 82 108.858 -57.486 -30.028 1.00 0.00 O ATOM 1754 O5* U B 82 110.607 -55.960 -31.014 1.00 0.00 O ATOM 1755 C5* U B 82 111.809 -55.718 -31.765 1.00 0.00 C ATOM 1756 C4* U B 82 111.967 -54.234 -32.025 1.00 0.00 C ATOM 1757 O4* U B 82 110.918 -53.802 -32.939 1.00 0.00 O ATOM 1758 C3* U B 82 111.796 -53.321 -30.812 1.00 0.00 C ATOM 1759 O3* U B 82 112.978 -53.212 -30.084 1.00 0.00 O ATOM 1760 C2* U B 82 111.378 -52.001 -31.459 1.00 0.00 C ATOM 1761 O2* U B 82 112.493 -51.353 -32.040 1.00 0.00 O ATOM 1762 C1* U B 82 110.499 -52.487 -32.605 1.00 0.00 C ATOM 1763 N1 U B 82 109.049 -52.537 -32.269 1.00 0.00 N ATOM 1764 C2 U B 82 108.383 -51.337 -32.193 1.00 0.00 C ATOM 1765 O2 U B 82 108.926 -50.263 -32.388 1.00 0.00 O ATOM 1766 N3 U B 82 107.041 -51.420 -31.881 1.00 0.00 N ATOM 1767 C4 U B 82 106.326 -52.579 -31.645 1.00 0.00 C ATOM 1768 O4 U B 82 105.125 -52.529 -31.371 1.00 0.00 O ATOM 1769 C5 U B 82 107.110 -53.786 -31.745 1.00 0.00 C ATOM 1770 C6 U B 82 108.419 -53.733 -32.047 1.00 0.00 C ATOM 1771 P A B 83 113.886 -54.291 -28.907 1.00 0.00 P ATOM 1772 O1P A B 83 113.743 -55.727 -29.226 1.00 0.00 O ATOM 1773 O2P A B 83 113.652 -53.916 -27.495 1.00 0.00 O ATOM 1774 O5* A B 83 115.505 -53.505 -29.325 1.00 0.00 O ATOM 1775 C5* A B 83 116.250 -52.241 -29.213 1.00 0.00 C ATOM 1776 C4* A B 83 117.550 -52.097 -28.208 1.00 0.00 C ATOM 1777 O4* A B 83 118.754 -52.827 -28.580 1.00 0.00 O ATOM 1778 C3* A B 83 118.078 -50.812 -27.571 1.00 0.00 C ATOM 1779 O3* A B 83 117.269 -49.726 -26.871 1.00 0.00 O ATOM 1780 C2* A B 83 119.326 -51.305 -26.844 1.00 0.00 C ATOM 1781 O2* A B 83 118.977 -51.990 -25.655 1.00 0.00 O ATOM 1782 C1* A B 83 119.854 -52.353 -27.817 1.00 0.00 C ATOM 1783 N9 A B 83 121.054 -51.784 -28.898 1.00 0.00 N ATOM 1784 C8 A B 83 122.389 -52.116 -28.946 1.00 0.00 C ATOM 1785 N7 A B 83 123.011 -51.660 -29.989 1.00 0.00 N ATOM 1786 C5 A B 83 122.032 -50.970 -30.688 1.00 0.00 C ATOM 1787 C6 A B 83 122.056 -50.251 -31.892 1.00 0.00 C ATOM 1788 N6 A B 83 123.156 -50.100 -32.640 1.00 0.00 N ATOM 1789 N1 A B 83 120.902 -49.691 -32.301 1.00 0.00 N ATOM 1790 C2 A B 83 119.812 -49.844 -31.554 1.00 0.00 C ATOM 1791 N3 A B 83 119.668 -50.489 -30.416 1.00 0.00 N ATOM 1792 C4 A B 83 120.837 -51.043 -30.030 1.00 0.00 C ATOM 1793 P A B 84 115.795 -49.276 -27.829 1.00 0.00 P ATOM 1794 O1P A B 84 115.303 -47.879 -27.784 1.00 0.00 O ATOM 1795 O2P A B 84 114.796 -50.315 -27.489 1.00 0.00 O ATOM 1796 O5* A B 84 116.753 -49.479 -29.352 1.00 0.00 O ATOM 1797 C5* A B 84 117.500 -49.350 -30.581 1.00 0.00 C ATOM 1798 C4* A B 84 116.583 -49.661 -31.956 1.00 0.00 C ATOM 1799 O4* A B 84 115.656 -50.450 -31.155 1.00 0.00 O ATOM 1800 C3* A B 84 115.675 -48.882 -32.907 1.00 0.00 C ATOM 1801 O3* A B 84 116.092 -48.411 -34.368 1.00 0.00 O ATOM 1802 C2* A B 84 114.562 -49.890 -33.189 1.00 0.00 C ATOM 1803 O2* A B 84 115.000 -50.878 -34.104 1.00 0.00 O ATOM 1804 C1* A B 84 114.415 -50.569 -31.830 1.00 0.00 C ATOM 1805 N9 A B 84 113.213 -49.920 -30.848 1.00 0.00 N ATOM 1806 C8 A B 84 112.315 -48.923 -31.153 1.00 0.00 C ATOM 1807 N7 A B 84 111.364 -48.794 -30.282 1.00 0.00 N ATOM 1808 C5 A B 84 111.640 -49.765 -29.332 1.00 0.00 C ATOM 1809 C6 A B 84 110.993 -50.142 -28.143 1.00 0.00 C ATOM 1810 N6 A B 84 109.880 -49.552 -27.688 1.00 0.00 N ATOM 1811 N1 A B 84 111.539 -51.148 -27.436 1.00 0.00 N ATOM 1812 C2 A B 84 112.646 -51.732 -27.892 1.00 0.00 C ATOM 1813 N3 A B 84 113.335 -51.467 -28.982 1.00 0.00 N ATOM 1814 C4 A B 84 112.767 -50.456 -29.671 1.00 0.00 C ATOM 1815 P G B 85 115.094 -48.279 -35.974 1.00 0.00 P ATOM 1816 O1P G B 85 114.276 -49.392 -36.505 1.00 0.00 O ATOM 1817 O2P G B 85 116.195 -47.818 -36.849 1.00 0.00 O ATOM 1818 O5* G B 85 114.149 -47.043 -35.597 1.00 0.00 O ATOM 1819 C5* G B 85 113.898 -46.029 -36.587 1.00 0.00 C ATOM 1820 C4* G B 85 112.885 -45.031 -36.062 1.00 0.00 C ATOM 1821 O4* G B 85 111.595 -45.694 -35.933 1.00 0.00 O ATOM 1822 C3* G B 85 113.156 -44.479 -34.662 1.00 0.00 C ATOM 1823 O3* G B 85 114.043 -43.406 -34.699 1.00 0.00 O ATOM 1824 C2* G B 85 111.759 -44.077 -34.198 1.00 0.00 C ATOM 1825 O2* G B 85 111.358 -42.866 -34.816 1.00 0.00 O ATOM 1826 C1* G B 85 110.904 -45.186 -34.803 1.00 0.00 C ATOM 1827 N9 G B 85 110.652 -46.320 -33.870 1.00 0.00 N ATOM 1828 C8 G B 85 111.196 -47.587 -33.874 1.00 0.00 C ATOM 1829 N7 G B 85 110.760 -48.357 -32.905 1.00 0.00 N ATOM 1830 C5 G B 85 109.863 -47.545 -32.214 1.00 0.00 C ATOM 1831 C6 G B 85 109.079 -47.822 -31.067 1.00 0.00 C ATOM 1832 O6 G B 85 109.007 -48.861 -30.414 1.00 0.00 O ATOM 1833 N1 G B 85 108.309 -46.712 -30.692 1.00 0.00 N ATOM 1834 C2 G B 85 108.300 -45.492 -31.342 1.00 0.00 C ATOM 1835 N2 G B 85 107.496 -44.558 -30.829 1.00 0.00 N ATOM 1836 N3 G B 85 109.041 -45.232 -32.418 1.00 0.00 N ATOM 1837 C4 G B 85 109.793 -46.298 -32.793 1.00 0.00 C ATOM 1838 P G B 86 115.081 -43.203 -33.456 1.00 0.00 P ATOM 1839 O1P G B 86 116.160 -42.261 -33.839 1.00 0.00 O ATOM 1840 O2P G B 86 115.527 -44.525 -32.964 1.00 0.00 O ATOM 1841 O5* G B 86 114.124 -42.517 -32.372 1.00 0.00 O ATOM 1842 C5* G B 86 113.503 -41.255 -32.688 1.00 0.00 C ATOM 1843 C4* G B 86 112.550 -40.855 -31.581 1.00 0.00 C ATOM 1844 O4* G B 86 111.424 -41.783 -31.572 1.00 0.00 O ATOM 1845 C3* G B 86 113.105 -40.939 -30.159 1.00 0.00 C ATOM 1846 O3* G B 86 113.814 -39.791 -29.820 1.00 0.00 O ATOM 1847 C2* G B 86 111.835 -41.115 -29.330 1.00 0.00 C ATOM 1848 O2* G B 86 111.144 -39.887 -29.201 1.00 0.00 O ATOM 1849 C1* G B 86 110.994 -42.004 -30.240 1.00 0.00 C ATOM 1850 N9 G B 86 111.132 -43.458 -29.947 1.00 0.00 N ATOM 1851 C8 G B 86 111.805 -44.430 -30.657 1.00 0.00 C ATOM 1852 N7 G B 86 111.728 -45.627 -30.126 1.00 0.00 N ATOM 1853 C5 G B 86 110.952 -45.435 -28.985 1.00 0.00 C ATOM 1854 C6 G B 86 110.523 -46.367 -28.004 1.00 0.00 C ATOM 1855 O6 G B 86 110.748 -47.571 -27.936 1.00 0.00 O ATOM 1856 N1 G B 86 109.747 -45.747 -27.015 1.00 0.00 N ATOM 1857 C2 G B 86 109.426 -44.405 -26.980 1.00 0.00 C ATOM 1858 N2 G B 86 108.672 -44.008 -25.950 1.00 0.00 N ATOM 1859 N3 G B 86 109.825 -43.531 -27.900 1.00 0.00 N ATOM 1860 C4 G B 86 110.580 -44.117 -28.868 1.00 0.00 C ATOM 1861 P U B 87 115.106 -39.928 -28.829 1.00 0.00 P ATOM 1862 O1P U B 87 115.926 -38.697 -28.885 1.00 0.00 O ATOM 1863 O2P U B 87 115.820 -41.190 -29.126 1.00 0.00 O ATOM 1864 O5* U B 87 114.383 -40.036 -27.406 1.00 0.00 O ATOM 1865 C5* U B 87 113.556 -38.946 -26.958 1.00 0.00 C ATOM 1866 C4* U B 87 112.875 -39.312 -25.654 1.00 0.00 C ATOM 1867 O4* U B 87 111.914 -40.373 -25.906 1.00 0.00 O ATOM 1868 C3* U B 87 113.787 -39.889 -24.569 1.00 0.00 C ATOM 1869 O3* U B 87 114.417 -38.881 -23.838 1.00 0.00 O ATOM 1870 C2* U B 87 112.804 -40.699 -23.726 1.00 0.00 C ATOM 1871 O2* U B 87 112.024 -39.848 -22.902 1.00 0.00 O ATOM 1872 C1* U B 87 111.870 -41.257 -24.798 1.00 0.00 C ATOM 1873 N1 U B 87 112.253 -42.617 -25.276 1.00 0.00 N ATOM 1874 C2 U B 87 112.003 -43.670 -24.431 1.00 0.00 C ATOM 1875 O2 U B 87 111.494 -43.531 -23.331 1.00 0.00 O ATOM 1876 N3 U B 87 112.370 -44.913 -24.908 1.00 0.00 N ATOM 1877 C4 U B 87 112.952 -45.180 -26.131 1.00 0.00 C ATOM 1878 O4 U B 87 113.235 -46.337 -26.450 1.00 0.00 O ATOM 1879 C5 U B 87 113.172 -44.011 -26.946 1.00 0.00 C ATOM 1880 C6 U B 87 112.826 -42.790 -26.506 1.00 0.00 C ATOM 1881 P G B 88 115.982 -40.479 -25.109 1.00 0.00 P ATOM 1882 O1P G B 88 116.284 -40.205 -23.684 1.00 0.00 O ATOM 1883 O2P G B 88 116.717 -39.649 -26.091 1.00 0.00 O ATOM 1884 O5* G B 88 116.221 -42.030 -25.424 1.00 0.00 O ATOM 1885 C5* G B 88 115.525 -43.015 -24.641 1.00 0.00 C ATOM 1886 C4* G B 88 115.797 -44.401 -25.192 1.00 0.00 C ATOM 1887 O4* G B 88 115.172 -44.520 -26.499 1.00 0.00 O ATOM 1888 C3* G B 88 117.264 -44.735 -25.454 1.00 0.00 C ATOM 1889 O3* G B 88 117.904 -45.183 -24.297 1.00 0.00 O ATOM 1890 C2* G B 88 117.159 -45.821 -26.522 1.00 0.00 C ATOM 1891 O2* G B 88 116.774 -47.056 -25.951 1.00 0.00 O ATOM 1892 C1* G B 88 115.978 -45.324 -27.347 1.00 0.00 C ATOM 1893 N9 G B 88 116.371 -44.501 -28.524 1.00 0.00 N ATOM 1894 C8 G B 88 116.273 -43.137 -28.706 1.00 0.00 C ATOM 1895 N7 G B 88 116.715 -42.718 -29.868 1.00 0.00 N ATOM 1896 C5 G B 88 117.133 -43.888 -30.501 1.00 0.00 C ATOM 1897 C6 G B 88 117.702 -44.078 -31.788 1.00 0.00 C ATOM 1898 O6 G B 88 117.961 -43.236 -32.646 1.00 0.00 O ATOM 1899 N1 G B 88 117.981 -45.427 -32.031 1.00 0.00 N ATOM 1900 C2 G B 88 117.738 -46.465 -31.149 1.00 0.00 C ATOM 1901 N2 G B 88 118.076 -47.687 -31.571 1.00 0.00 N ATOM 1902 N3 G B 88 117.206 -46.287 -29.941 1.00 0.00 N ATOM 1903 C4 G B 88 116.928 -44.980 -29.688 1.00 0.00 C ATOM 1904 P A B 89 119.479 -44.818 -24.077 1.00 0.00 P ATOM 1905 O1P A B 89 119.868 -45.045 -22.669 1.00 0.00 O ATOM 1906 O2P A B 89 119.749 -43.462 -24.610 1.00 0.00 O ATOM 1907 O5* A B 89 120.174 -45.914 -25.015 1.00 0.00 O ATOM 1908 C5* A B 89 119.964 -47.308 -24.731 1.00 0.00 C ATOM 1909 C4* A B 89 120.605 -48.160 -25.809 1.00 0.00 C ATOM 1910 O4* A B 89 119.879 -47.966 -27.055 1.00 0.00 O ATOM 1911 C3* A B 89 122.050 -47.806 -26.167 1.00 0.00 C ATOM 1912 O3* A B 89 122.954 -48.414 -25.296 1.00 0.00 O ATOM 1913 C2* A B 89 122.166 -48.334 -27.595 1.00 0.00 C ATOM 1914 O2* A B 89 122.296 -49.744 -27.600 1.00 0.00 O ATOM 1915 C1* A B 89 120.780 -48.015 -28.150 1.00 0.00 C ATOM 1916 N9 A B 89 120.708 -46.710 -28.864 1.00 0.00 N ATOM 1917 C8 A B 89 120.137 -45.527 -28.452 1.00 0.00 C ATOM 1918 N7 A B 89 120.242 -44.562 -29.314 1.00 0.00 N ATOM 1919 C5 A B 89 120.931 -45.136 -30.374 1.00 0.00 C ATOM 1920 C6 A B 89 121.363 -44.624 -31.607 1.00 0.00 C ATOM 1921 N6 A B 89 121.150 -43.361 -32.002 1.00 0.00 N ATOM 1922 N1 A B 89 122.020 -45.462 -32.430 1.00 0.00 N ATOM 1923 C2 A B 89 122.229 -46.716 -32.033 1.00 0.00 C ATOM 1924 N3 A B 89 121.877 -47.304 -30.909 1.00 0.00 N ATOM 1925 C4 A B 89 121.219 -46.442 -30.107 1.00 0.00 C ATOM 1926 P U B 90 124.704 -47.925 -25.935 1.00 0.00 P ATOM 1927 O1P U B 90 124.643 -47.885 -27.412 1.00 0.00 O ATOM 1928 O2P U B 90 125.690 -48.863 -25.353 1.00 0.00 O ATOM 1929 O5* U B 90 125.144 -46.141 -25.474 1.00 0.00 O ATOM 1930 C5* U B 90 125.969 -45.094 -26.218 1.00 0.00 C ATOM 1931 C4* U B 90 127.141 -44.101 -25.554 1.00 0.00 C ATOM 1932 O4* U B 90 128.123 -43.332 -26.309 1.00 0.00 O ATOM 1933 C3* U B 90 126.838 -43.217 -24.342 1.00 0.00 C ATOM 1934 O3* U B 90 126.382 -44.194 -23.197 1.00 0.00 O ATOM 1935 C2* U B 90 128.201 -42.595 -24.052 1.00 0.00 C ATOM 1936 O2* U B 90 129.056 -43.530 -23.413 1.00 0.00 O ATOM 1937 C1* U B 90 128.749 -42.384 -25.457 1.00 0.00 C ATOM 1938 N1 U B 90 128.484 -40.831 -26.096 1.00 0.00 N ATOM 1939 C2 U B 90 128.748 -39.768 -25.274 1.00 0.00 C ATOM 1940 O2 U B 90 129.040 -39.898 -24.095 1.00 0.00 O ATOM 1941 N3 U B 90 128.669 -38.522 -25.864 1.00 0.00 N ATOM 1942 C4 U B 90 128.352 -38.259 -27.183 1.00 0.00 C ATOM 1943 O4 U B 90 128.310 -37.102 -27.601 1.00 0.00 O ATOM 1944 C5 U B 90 128.083 -39.443 -27.968 1.00 0.00 C ATOM 1945 C6 U B 90 128.155 -40.664 -27.415 1.00 0.00 C ATOM 1946 P A B 91 127.314 -45.761 -22.895 1.00 0.00 P ATOM 1947 O1P A B 91 128.756 -45.742 -23.220 1.00 0.00 O ATOM 1948 O2P A B 91 126.559 -46.938 -23.383 1.00 0.00 O ATOM 1949 O5* A B 91 127.098 -45.432 -21.110 1.00 0.00 O ATOM 1950 C5* A B 91 126.041 -44.952 -20.255 1.00 0.00 C ATOM 1951 C4* A B 91 124.624 -45.349 -20.933 1.00 0.00 C ATOM 1952 O4* A B 91 124.780 -46.044 -22.202 1.00 0.00 O ATOM 1953 C3* A B 91 123.487 -46.103 -20.237 1.00 0.00 C ATOM 1954 O3* A B 91 122.787 -45.471 -18.958 1.00 0.00 O ATOM 1955 C2* A B 91 122.581 -46.463 -21.411 1.00 0.00 C ATOM 1956 O2* A B 91 121.840 -45.328 -21.834 1.00 0.00 O ATOM 1957 C1* A B 91 123.598 -46.763 -22.508 1.00 0.00 C ATOM 1958 N9 A B 91 124.003 -48.421 -22.674 1.00 0.00 N ATOM 1959 C8 A B 91 125.246 -48.985 -22.859 1.00 0.00 C ATOM 1960 N7 A B 91 125.216 -50.269 -23.054 1.00 0.00 N ATOM 1961 C5 A B 91 123.863 -50.586 -23.000 1.00 0.00 C ATOM 1962 C6 A B 91 123.171 -51.794 -23.131 1.00 0.00 C ATOM 1963 N6 A B 91 123.770 -52.971 -23.360 1.00 0.00 N ATOM 1964 N1 A B 91 121.829 -51.756 -23.022 1.00 0.00 N ATOM 1965 C2 A B 91 121.233 -50.588 -22.789 1.00 0.00 C ATOM 1966 N3 A B 91 121.780 -49.397 -22.650 1.00 0.00 N ATOM 1967 C4 A B 91 123.120 -49.462 -22.765 1.00 0.00 C ATOM 1968 P U B 92 122.573 -45.927 -17.094 1.00 0.00 P ATOM 1969 O1P U B 92 121.755 -44.790 -16.632 1.00 0.00 O ATOM 1970 O2P U B 92 123.919 -46.043 -16.491 1.00 0.00 O ATOM 1971 O5* U B 92 121.543 -47.476 -16.567 1.00 0.00 O ATOM 1972 C5* U B 92 120.981 -48.394 -15.388 1.00 0.00 C ATOM 1973 C4* U B 92 119.554 -49.504 -15.368 1.00 0.00 C ATOM 1974 O4* U B 92 119.693 -50.273 -16.597 1.00 0.00 O ATOM 1975 C3* U B 92 118.063 -49.165 -15.318 1.00 0.00 C ATOM 1976 O3* U B 92 117.586 -48.008 -14.294 1.00 0.00 O ATOM 1977 C2* U B 92 117.729 -48.945 -16.789 1.00 0.00 C ATOM 1978 O2* U B 92 118.208 -47.685 -17.231 1.00 0.00 O ATOM 1979 C1* U B 92 118.598 -50.008 -17.460 1.00 0.00 C ATOM 1980 N1 U B 92 117.809 -51.463 -17.781 1.00 0.00 N ATOM 1981 C2 U B 92 117.190 -51.578 -19.001 1.00 0.00 C ATOM 1982 O2 U B 92 117.087 -50.648 -19.784 1.00 0.00 O ATOM 1983 N3 U B 92 116.684 -52.829 -19.299 1.00 0.00 N ATOM 1984 C4 U B 92 116.739 -53.946 -18.492 1.00 0.00 C ATOM 1985 O4 U B 92 116.249 -55.014 -18.861 1.00 0.00 O ATOM 1986 C5 U B 92 117.410 -53.728 -17.229 1.00 0.00 C ATOM 1987 C6 U B 92 117.913 -52.522 -16.916 1.00 0.00 C ATOM 1988 P G B 93 116.009 -47.050 -13.744 1.00 0.00 P ATOM 1989 O1P G B 93 116.447 -45.958 -12.845 1.00 0.00 O ATOM 1990 O2P G B 93 115.146 -48.081 -13.134 1.00 0.00 O ATOM 1991 O5* G B 93 115.285 -46.432 -15.032 1.00 0.00 O ATOM 1992 C5* G B 93 113.902 -46.045 -14.938 1.00 0.00 C ATOM 1993 C4* G B 93 113.462 -45.376 -16.225 1.00 0.00 C ATOM 1994 O4* G B 93 114.150 -44.100 -16.351 1.00 0.00 O ATOM 1995 C3* G B 93 113.815 -46.117 -17.516 1.00 0.00 C ATOM 1996 O3* G B 93 112.870 -47.093 -17.823 1.00 0.00 O ATOM 1997 C2* G B 93 113.844 -44.982 -18.537 1.00 0.00 C ATOM 1998 O2* G B 93 112.527 -44.589 -18.888 1.00 0.00 O ATOM 1999 C1* G B 93 114.443 -43.845 -17.715 1.00 0.00 C ATOM 2000 N9 G B 93 115.921 -43.720 -17.857 1.00 0.00 N ATOM 2001 C8 G B 93 116.910 -44.060 -16.960 1.00 0.00 C ATOM 2002 N7 G B 93 118.125 -43.823 -17.392 1.00 0.00 N ATOM 2003 C5 G B 93 117.925 -43.285 -18.665 1.00 0.00 C ATOM 2004 C6 G B 93 118.866 -42.834 -19.624 1.00 0.00 C ATOM 2005 O6 G B 93 120.092 -42.812 -19.548 1.00 0.00 O ATOM 2006 N1 G B 93 118.233 -42.365 -20.783 1.00 0.00 N ATOM 2007 C2 G B 93 116.868 -42.337 -20.986 1.00 0.00 C ATOM 2008 N2 G B 93 116.460 -41.851 -22.161 1.00 0.00 N ATOM 2009 N3 G B 93 115.985 -42.763 -20.087 1.00 0.00 N ATOM 2010 C4 G B 93 116.584 -43.219 -18.955 1.00 0.00 C ATOM 2011 P A B 94 112.449 -48.974 -17.604 1.00 0.00 P ATOM 2012 O1P A B 94 111.119 -48.864 -18.245 1.00 0.00 O ATOM 2013 O2P A B 94 112.444 -49.381 -16.178 1.00 0.00 O ATOM 2014 O5* A B 94 113.266 -50.401 -18.633 1.00 0.00 O ATOM 2015 C5* A B 94 113.313 -51.989 -18.801 1.00 0.00 C ATOM 2016 C4* A B 94 113.195 -52.918 -20.280 1.00 0.00 C ATOM 2017 O4* A B 94 113.622 -51.842 -21.168 1.00 0.00 O ATOM 2018 C3* A B 94 113.897 -54.154 -20.836 1.00 0.00 C ATOM 2019 O3* A B 94 112.668 -55.382 -20.780 1.00 0.00 O ATOM 2020 C2* A B 94 113.859 -53.891 -22.344 1.00 0.00 C ATOM 2021 O2* A B 94 112.570 -54.145 -22.868 1.00 0.00 O ATOM 2022 C1* A B 94 114.071 -52.383 -22.400 1.00 0.00 C ATOM 2023 N9 A B 94 115.653 -51.907 -22.638 1.00 0.00 N ATOM 2024 C8 A B 94 116.801 -52.657 -22.517 1.00 0.00 C ATOM 2025 N7 A B 94 117.895 -51.962 -22.579 1.00 0.00 N ATOM 2026 C5 A B 94 117.457 -50.659 -22.751 1.00 0.00 C ATOM 2027 C6 A B 94 118.141 -49.440 -22.891 1.00 0.00 C ATOM 2028 N6 A B 94 119.475 -49.336 -22.874 1.00 0.00 N ATOM 2029 N1 A B 94 117.399 -48.328 -23.048 1.00 0.00 N ATOM 2030 C2 A B 94 116.073 -48.440 -23.069 1.00 0.00 C ATOM 2031 N3 A B 94 115.327 -49.516 -22.948 1.00 0.00 N ATOM 2032 C4 A B 94 116.094 -50.618 -22.792 1.00 0.00 C ATOM 2033 P A B 95 110.736 -55.610 -21.102 1.00 0.00 P ATOM 2034 O1P A B 95 110.493 -56.633 -20.059 1.00 0.00 O ATOM 2035 O2P A B 95 110.227 -55.934 -22.456 1.00 0.00 O ATOM 2036 O5* A B 95 110.145 -54.202 -20.627 1.00 0.00 O ATOM 2037 C5* A B 95 109.719 -54.048 -19.259 1.00 0.00 C ATOM 2038 C4* A B 95 109.315 -52.611 -19.000 1.00 0.00 C ATOM 2039 O4* A B 95 110.502 -51.769 -19.070 1.00 0.00 O ATOM 2040 C3* A B 95 108.363 -51.991 -20.022 1.00 0.00 C ATOM 2041 O3* A B 95 107.035 -52.302 -19.739 1.00 0.00 O ATOM 2042 C2* A B 95 108.661 -50.499 -19.875 1.00 0.00 C ATOM 2043 O2* A B 95 108.060 -49.980 -18.699 1.00 0.00 O ATOM 2044 C1* A B 95 110.169 -50.511 -19.631 1.00 0.00 C ATOM 2045 N9 A B 95 110.972 -50.330 -20.872 1.00 0.00 N ATOM 2046 C8 A B 95 111.703 -51.263 -21.576 1.00 0.00 C ATOM 2047 N7 A B 95 112.298 -50.782 -22.624 1.00 0.00 N ATOM 2048 C5 A B 95 111.946 -49.441 -22.624 1.00 0.00 C ATOM 2049 C6 A B 95 112.260 -48.378 -23.490 1.00 0.00 C ATOM 2050 N6 A B 95 113.042 -48.513 -24.571 1.00 0.00 N ATOM 2051 N1 A B 95 111.743 -47.171 -23.201 1.00 0.00 N ATOM 2052 C2 A B 95 110.968 -47.045 -22.126 1.00 0.00 C ATOM 2053 N3 A B 95 110.607 -47.959 -21.251 1.00 0.00 N ATOM 2054 C4 A B 95 111.139 -49.159 -21.562 1.00 0.00 C ATOM 2055 P C B 96 105.995 -52.508 -20.982 1.00 0.00 P ATOM 2056 O1P C B 96 104.764 -53.180 -20.513 1.00 0.00 O ATOM 2057 O2P C B 96 106.698 -53.158 -22.110 1.00 0.00 O ATOM 2058 O5* C B 96 105.672 -50.983 -21.350 1.00 0.00 O ATOM 2059 C5* C B 96 105.066 -50.134 -20.357 1.00 0.00 C ATOM 2060 C4* C B 96 104.964 -48.716 -20.875 1.00 0.00 C ATOM 2061 O4* C B 96 106.308 -48.165 -21.007 1.00 0.00 O ATOM 2062 C3* C B 96 104.367 -48.559 -22.276 1.00 0.00 C ATOM 2063 O3* C B 96 102.975 -48.533 -22.235 1.00 0.00 O ATOM 2064 C2* C B 96 104.968 -47.233 -22.730 1.00 0.00 C ATOM 2065 O2* C B 96 104.312 -46.141 -22.111 1.00 0.00 O ATOM 2066 C1* C B 96 106.368 -47.307 -22.136 1.00 0.00 C ATOM 2067 N1 C B 96 107.394 -47.851 -23.072 1.00 0.00 N ATOM 2068 C2 C B 96 107.828 -47.026 -24.104 1.00 0.00 C ATOM 2069 O2 C B 96 107.351 -45.891 -24.203 1.00 0.00 O ATOM 2070 N3 C B 96 108.760 -47.502 -24.968 1.00 0.00 N ATOM 2071 C4 C B 96 109.254 -48.740 -24.827 1.00 0.00 C ATOM 2072 N4 C B 96 110.162 -49.156 -25.699 1.00 0.00 N ATOM 2073 C5 C B 96 108.821 -49.603 -23.769 1.00 0.00 C ATOM 2074 C6 C B 96 107.886 -49.109 -22.919 1.00 0.00 C ATOM 2075 P C B 97 102.142 -49.185 -23.480 1.00 0.00 P ATOM 2076 O1P C B 97 100.727 -49.393 -23.097 1.00 0.00 O ATOM 2077 O2P C B 97 102.858 -50.382 -23.978 1.00 0.00 O ATOM 2078 O5* C B 97 102.245 -48.007 -24.558 1.00 0.00 O ATOM 2079 C5* C B 97 101.687 -46.717 -24.236 1.00 0.00 C ATOM 2080 C4* C B 97 102.004 -45.725 -25.341 1.00 0.00 C ATOM 2081 O4* C B 97 103.437 -45.475 -25.348 1.00 0.00 O ATOM 2082 C3* C B 97 101.703 -46.198 -26.765 1.00 0.00 C ATOM 2083 O3* C B 97 100.367 -45.986 -27.100 1.00 0.00 O ATOM 2084 C2* C B 97 102.660 -45.344 -27.591 1.00 0.00 C ATOM 2085 O2* C B 97 102.176 -44.018 -27.713 1.00 0.00 O ATOM 2086 C1* C B 97 103.884 -45.287 -26.682 1.00 0.00 C ATOM 2087 N1 C B 97 104.900 -46.333 -26.982 1.00 0.00 N ATOM 2088 C2 C B 97 105.681 -46.177 -28.124 1.00 0.00 C ATOM 2089 O2 C B 97 105.500 -45.182 -28.836 1.00 0.00 O ATOM 2090 N3 C B 97 106.613 -47.120 -28.413 1.00 0.00 N ATOM 2091 C4 C B 97 106.778 -48.184 -27.615 1.00 0.00 C ATOM 2092 N4 C B 97 107.701 -49.078 -27.939 1.00 0.00 N ATOM 2093 C5 C B 97 105.985 -48.366 -26.438 1.00 0.00 C ATOM 2094 C6 C B 97 105.060 -47.412 -26.164 1.00 0.00 C ATOM 2095 P G B 98 99.239 -47.373 -26.163 1.00 0.00 P ATOM 2096 O1P G B 98 98.322 -46.632 -25.276 1.00 0.00 O ATOM 2097 O2P G B 98 100.198 -48.275 -25.488 1.00 0.00 O ATOM 2098 O5* G B 98 98.191 -48.797 -27.043 1.00 0.00 O ATOM 2099 C5* G B 98 97.540 -49.944 -27.909 1.00 0.00 C ATOM 2100 C4* G B 98 97.859 -50.486 -29.531 1.00 0.00 C ATOM 2101 O4* G B 98 98.721 -49.554 -30.243 1.00 0.00 O ATOM 2102 C3* G B 98 97.152 -51.263 -30.645 1.00 0.00 C ATOM 2103 O3* G B 98 97.177 -52.892 -31.143 1.00 0.00 O ATOM 2104 C2* G B 98 96.957 -50.186 -31.712 1.00 0.00 C ATOM 2105 O2* G B 98 95.892 -49.322 -31.367 1.00 0.00 O ATOM 2106 C1* G B 98 98.247 -49.376 -31.570 1.00 0.00 C ATOM 2107 N9 G B 98 99.429 -49.805 -32.597 1.00 0.00 N ATOM 2108 C8 G B 98 99.950 -49.094 -33.658 1.00 0.00 C ATOM 2109 N7 G B 98 100.734 -49.807 -34.436 1.00 0.00 N ATOM 2110 C5 G B 98 100.731 -51.069 -33.843 1.00 0.00 C ATOM 2111 C6 G B 98 101.398 -52.260 -34.231 1.00 0.00 C ATOM 2112 O6 G B 98 102.143 -52.448 -35.192 1.00 0.00 O ATOM 2113 N1 G B 98 101.114 -53.311 -33.354 1.00 0.00 N ATOM 2114 C2 G B 98 100.302 -53.227 -32.244 1.00 0.00 C ATOM 2115 N2 G B 98 100.160 -54.349 -31.531 1.00 0.00 N ATOM 2116 N3 G B 98 99.676 -52.106 -31.881 1.00 0.00 N ATOM 2117 C4 G B 98 99.938 -51.076 -32.725 1.00 0.00 C ATOM 2118 P U B 99 97.002 -54.139 -32.679 1.00 0.00 P ATOM 2119 O1P U B 99 97.163 -55.429 -31.974 1.00 0.00 O ATOM 2120 O2P U B 99 97.982 -53.860 -33.747 1.00 0.00 O ATOM 2121 O5* U B 99 95.416 -54.189 -33.812 1.00 0.00 O ATOM 2122 C5* U B 99 94.128 -54.065 -34.722 1.00 0.00 C ATOM 2123 C4* U B 99 93.463 -52.716 -35.743 1.00 0.00 C ATOM 2124 O4* U B 99 92.065 -52.831 -35.366 1.00 0.00 O ATOM 2125 C3* U B 99 93.784 -51.236 -35.520 1.00 0.00 C ATOM 2126 O3* U B 99 95.021 -50.458 -36.104 1.00 0.00 O ATOM 2127 C2* U B 99 92.476 -50.559 -35.926 1.00 0.00 C ATOM 2128 O2* U B 99 92.352 -50.524 -37.337 1.00 0.00 O ATOM 2129 C1* U B 99 91.446 -51.559 -35.410 1.00 0.00 C ATOM 2130 N1 U B 99 90.765 -51.172 -33.698 1.00 0.00 N ATOM 2131 C2 U B 99 91.493 -50.303 -32.923 1.00 0.00 C ATOM 2132 O2 U B 99 92.462 -49.692 -33.340 1.00 0.00 O ATOM 2133 N3 U B 99 91.049 -50.156 -31.622 1.00 0.00 N ATOM 2134 C4 U B 99 89.967 -50.791 -31.050 1.00 0.00 C ATOM 2135 O4 U B 99 89.666 -50.583 -29.872 1.00 0.00 O ATOM 2136 C5 U B 99 89.271 -51.688 -31.944 1.00 0.00 C ATOM 2137 C6 U B 99 89.680 -51.847 -33.212 1.00 0.00 C ATOM 2138 P U B 100 94.482 -48.673 -36.238 1.00 0.00 P ATOM 2139 O1P U B 100 93.769 -48.372 -34.975 1.00 0.00 O ATOM 2140 O2P U B 100 93.656 -48.679 -37.462 1.00 0.00 O ATOM 2141 O5* U B 100 95.595 -47.320 -36.866 1.00 0.00 O ATOM 2142 C5* U B 100 95.010 -46.875 -38.071 1.00 0.00 C ATOM 2143 C4* U B 100 94.801 -45.245 -38.121 1.00 0.00 C ATOM 2144 O4* U B 100 94.877 -44.806 -39.508 1.00 0.00 O ATOM 2145 C3* U B 100 95.587 -44.180 -37.358 1.00 0.00 C ATOM 2146 O3* U B 100 95.570 -44.125 -35.838 1.00 0.00 O ATOM 2147 C2* U B 100 96.707 -43.843 -38.338 1.00 0.00 C ATOM 2148 O2* U B 100 97.693 -44.860 -38.345 1.00 0.00 O ATOM 2149 C1* U B 100 95.976 -43.929 -39.678 1.00 0.00 C ATOM 2150 N1 U B 100 95.423 -42.530 -40.228 1.00 0.00 N ATOM 2151 C2 U B 100 96.183 -41.418 -39.965 1.00 0.00 C ATOM 2152 O2 U B 100 97.149 -41.439 -39.218 1.00 0.00 O ATOM 2153 N3 U B 100 95.785 -40.263 -40.606 1.00 0.00 N ATOM 2154 C4 U B 100 94.716 -40.132 -41.463 1.00 0.00 C ATOM 2155 O4 U B 100 94.455 -39.038 -41.982 1.00 0.00 O ATOM 2156 C5 U B 100 93.975 -41.352 -41.677 1.00 0.00 C ATOM 2157 C6 U B 100 94.341 -42.489 -41.064 1.00 0.00 C ATOM 2158 P A B 101 95.352 -42.521 -34.985 1.00 0.00 P ATOM 2159 O1P A B 101 94.368 -41.606 -35.599 1.00 0.00 O ATOM 2160 O2P A B 101 96.681 -41.941 -34.701 1.00 0.00 O ATOM 2161 O5* A B 101 94.567 -43.354 -33.564 1.00 0.00 O ATOM 2162 C5* A B 101 93.582 -44.393 -33.300 1.00 0.00 C ATOM 2163 C4* A B 101 94.261 -45.741 -32.642 1.00 0.00 C ATOM 2164 O4* A B 101 94.439 -46.919 -33.478 1.00 0.00 O ATOM 2165 C3* A B 101 95.656 -45.488 -32.063 1.00 0.00 C ATOM 2166 O3* A B 101 95.079 -45.216 -30.516 1.00 0.00 O ATOM 2167 C2* A B 101 96.179 -46.908 -31.856 1.00 0.00 C ATOM 2168 O2* A B 101 95.589 -47.500 -30.711 1.00 0.00 O ATOM 2169 C1* A B 101 95.601 -47.625 -33.076 1.00 0.00 C ATOM 2170 N9 A B 101 96.617 -47.721 -34.360 1.00 0.00 N ATOM 2171 C8 A B 101 96.818 -48.790 -35.204 1.00 0.00 C ATOM 2172 N7 A B 101 97.511 -48.497 -36.263 1.00 0.00 N ATOM 2173 C5 A B 101 97.794 -47.148 -36.118 1.00 0.00 C ATOM 2174 C6 A B 101 98.505 -46.236 -36.917 1.00 0.00 C ATOM 2175 N6 A B 101 99.089 -46.576 -38.073 1.00 0.00 N ATOM 2176 N1 A B 101 98.599 -44.976 -36.484 1.00 0.00 N ATOM 2177 C2 A B 101 98.017 -44.648 -35.332 1.00 0.00 C ATOM 2178 N3 A B 101 97.329 -45.403 -34.503 1.00 0.00 N ATOM 2179 C4 A B 101 97.249 -46.666 -34.961 1.00 0.00 C ATOM 2180 P U B 102 93.515 -46.221 -29.985 1.00 0.00 P ATOM 2181 O1P U B 102 92.368 -45.559 -30.649 1.00 0.00 O ATOM 2182 O2P U B 102 93.459 -46.289 -28.508 1.00 0.00 O ATOM 2183 O5* U B 102 93.597 -48.003 -30.687 1.00 0.00 O ATOM 2184 C5* U B 102 93.193 -49.440 -31.005 1.00 0.00 C ATOM 2185 C4* U B 102 93.898 -50.786 -31.774 1.00 0.00 C ATOM 2186 O4* U B 102 94.014 -51.014 -33.207 1.00 0.00 O ATOM 2187 C3* U B 102 94.974 -51.688 -31.172 1.00 0.00 C ATOM 2188 O3* U B 102 95.259 -51.976 -29.737 1.00 0.00 O ATOM 2189 C2* U B 102 94.931 -52.901 -32.098 1.00 0.00 C ATOM 2190 O2* U B 102 93.808 -53.717 -31.811 1.00 0.00 O ATOM 2191 C1* U B 102 94.669 -52.246 -33.450 1.00 0.00 C ATOM 2192 N1 U B 102 96.130 -51.923 -34.415 1.00 0.00 N ATOM 2193 C2 U B 102 96.168 -52.456 -35.675 1.00 0.00 C ATOM 2194 O2 U B 102 95.330 -53.241 -36.089 1.00 0.00 O ATOM 2195 N3 U B 102 97.229 -52.052 -36.464 1.00 0.00 N ATOM 2196 C4 U B 102 98.229 -51.178 -36.100 1.00 0.00 C ATOM 2197 O4 U B 102 99.131 -50.890 -36.889 1.00 0.00 O ATOM 2198 C5 U B 102 98.108 -50.664 -34.754 1.00 0.00 C ATOM 2199 C6 U B 102 97.082 -51.045 -33.965 1.00 0.00 C ATOM 2200 P A B 103 94.806 -50.792 -28.389 1.00 0.00 P ATOM 2201 O1P A B 103 95.508 -51.083 -27.124 1.00 0.00 O ATOM 2202 O2P A B 103 93.332 -50.904 -28.348 1.00 0.00 O ATOM 2203 O5* A B 103 95.563 -49.091 -28.868 1.00 0.00 O ATOM 2204 C5* A B 103 96.200 -47.618 -28.761 1.00 0.00 C ATOM 2205 C4* A B 103 97.704 -46.814 -29.268 1.00 0.00 C ATOM 2206 O4* A B 103 98.615 -47.585 -28.435 1.00 0.00 O ATOM 2207 C3* A B 103 98.493 -46.573 -30.558 1.00 0.00 C ATOM 2208 O3* A B 103 98.198 -45.576 -31.624 1.00 0.00 O ATOM 2209 C2* A B 103 99.914 -46.395 -30.031 1.00 0.00 C ATOM 2210 O2* A B 103 100.082 -45.113 -29.455 1.00 0.00 O ATOM 2211 C1* A B 103 99.947 -47.400 -28.887 1.00 0.00 C ATOM 2212 N9 A B 103 100.584 -48.911 -29.296 1.00 0.00 N ATOM 2213 C8 A B 103 101.435 -49.235 -30.332 1.00 0.00 C ATOM 2214 N7 A B 103 101.860 -50.459 -30.304 1.00 0.00 N ATOM 2215 C5 A B 103 101.255 -50.999 -29.180 1.00 0.00 C ATOM 2216 C6 A B 103 101.300 -52.277 -28.602 1.00 0.00 C ATOM 2217 N6 A B 103 102.019 -53.290 -29.104 1.00 0.00 N ATOM 2218 N1 A B 103 100.578 -52.477 -27.485 1.00 0.00 N ATOM 2219 C2 A B 103 99.864 -51.468 -26.989 1.00 0.00 C ATOM 2220 N3 A B 103 99.742 -50.238 -27.441 1.00 0.00 N ATOM 2221 C4 A B 103 100.476 -50.064 -28.561 1.00 0.00 C ATOM 2222 P A B 104 98.519 -43.749 -31.582 1.00 0.00 P ATOM 2223 O1P A B 104 98.353 -42.854 -30.413 1.00 0.00 O ATOM 2224 O2P A B 104 97.572 -43.534 -32.696 1.00 0.00 O ATOM 2225 O5* A B 104 100.024 -43.658 -32.119 1.00 0.00 O ATOM 2226 C5* A B 104 100.677 -42.378 -32.161 1.00 0.00 C ATOM 2227 C4* A B 104 102.123 -42.544 -32.585 1.00 0.00 C ATOM 2228 O4* A B 104 102.842 -43.247 -31.529 1.00 0.00 O ATOM 2229 C3* A B 104 102.357 -43.402 -33.826 1.00 0.00 C ATOM 2230 O3* A B 104 102.210 -42.661 -34.996 1.00 0.00 O ATOM 2231 C2* A B 104 103.789 -43.888 -33.614 1.00 0.00 C ATOM 2232 O2* A B 104 104.718 -42.859 -33.903 1.00 0.00 O ATOM 2233 C1* A B 104 103.820 -44.100 -32.101 1.00 0.00 C ATOM 2234 N9 A B 104 103.512 -45.498 -31.687 1.00 0.00 N ATOM 2235 C8 A B 104 102.363 -45.998 -31.114 1.00 0.00 C ATOM 2236 N7 A B 104 102.411 -47.272 -30.871 1.00 0.00 N ATOM 2237 C5 A B 104 103.668 -47.652 -31.310 1.00 0.00 C ATOM 2238 C6 A B 104 104.330 -48.891 -31.330 1.00 0.00 C ATOM 2239 N6 A B 104 103.788 -50.027 -30.872 1.00 0.00 N ATOM 2240 N1 A B 104 105.579 -48.918 -31.837 1.00 0.00 N ATOM 2241 C2 A B 104 106.111 -47.787 -32.288 1.00 0.00 C ATOM 2242 N3 A B 104 105.591 -46.578 -32.324 1.00 0.00 N ATOM 2243 C4 A B 104 104.344 -46.577 -31.809 1.00 0.00 C ATOM 2244 P C B 105 101.603 -43.397 -36.321 1.00 0.00 P ATOM 2245 O1P C B 105 101.184 -42.386 -37.319 1.00 0.00 O ATOM 2246 O2P C B 105 100.566 -44.367 -35.914 1.00 0.00 O ATOM 2247 O5* C B 105 102.897 -44.176 -36.851 1.00 0.00 O ATOM 2248 C5* C B 105 104.066 -43.420 -37.216 1.00 0.00 C ATOM 2249 C4* C B 105 105.203 -44.362 -37.565 1.00 0.00 C ATOM 2250 O4* C B 105 105.625 -45.058 -36.357 1.00 0.00 O ATOM 2251 C3* C B 105 104.859 -45.492 -38.539 1.00 0.00 C ATOM 2252 O3* C B 105 104.941 -45.069 -39.864 1.00 0.00 O ATOM 2253 C2* C B 105 105.908 -46.544 -38.189 1.00 0.00 C ATOM 2254 O2* C B 105 107.170 -46.195 -38.729 1.00 0.00 O ATOM 2255 C1* C B 105 106.011 -46.384 -36.676 1.00 0.00 C ATOM 2256 N1 C B 105 105.134 -47.316 -35.915 1.00 0.00 N ATOM 2257 C2 C B 105 105.509 -48.653 -35.847 1.00 0.00 C ATOM 2258 O2 C B 105 106.546 -49.011 -36.417 1.00 0.00 O ATOM 2259 N3 C B 105 104.722 -49.518 -35.158 1.00 0.00 N ATOM 2260 C4 C B 105 103.607 -49.094 -34.554 1.00 0.00 C ATOM 2261 N4 C B 105 102.871 -49.975 -33.893 1.00 0.00 N ATOM 2262 C5 C B 105 103.201 -47.719 -34.610 1.00 0.00 C ATOM 2263 C6 C B 105 104.002 -46.872 -35.306 1.00 0.00 C ATOM 2264 P C B 106 103.907 -45.703 -40.958 1.00 0.00 P ATOM 2265 O1P C B 106 103.900 -44.883 -42.187 1.00 0.00 O ATOM 2266 O2P C B 106 102.592 -45.922 -40.319 1.00 0.00 O ATOM 2267 O5* C B 106 104.609 -47.112 -41.248 1.00 0.00 O ATOM 2268 C5* C B 106 105.943 -47.127 -41.788 1.00 0.00 C ATOM 2269 C4* C B 106 106.454 -48.554 -41.867 1.00 0.00 C ATOM 2270 O4* C B 106 106.638 -49.064 -40.515 1.00 0.00 O ATOM 2271 C3* C B 106 105.507 -49.565 -42.514 1.00 0.00 C ATOM 2272 O3* C B 106 105.624 -49.558 -43.903 1.00 0.00 O ATOM 2273 C2* C B 106 105.971 -50.881 -41.892 1.00 0.00 C ATOM 2274 O2* C B 106 107.176 -51.324 -42.490 1.00 0.00 O ATOM 2275 C1* C B 106 106.314 -50.442 -40.470 1.00 0.00 C ATOM 2276 N1 C B 106 105.199 -50.622 -39.502 1.00 0.00 N ATOM 2277 C2 C B 106 104.905 -51.918 -39.084 1.00 0.00 C ATOM 2278 O2 C B 106 105.576 -52.854 -39.529 1.00 0.00 O ATOM 2279 N3 C B 106 103.891 -52.104 -38.201 1.00 0.00 N ATOM 2280 C4 C B 106 103.186 -51.060 -37.739 1.00 0.00 C ATOM 2281 N4 C B 106 102.207 -51.295 -36.880 1.00 0.00 N ATOM 2282 C5 C B 106 103.473 -49.720 -38.156 1.00 0.00 C ATOM 2283 C6 C B 106 104.491 -49.557 -39.041 1.00 0.00 C ATOM 2284 P G B 107 104.291 -49.849 -44.802 1.00 0.00 P ATOM 2285 O1P G B 107 104.522 -49.441 -46.206 1.00 0.00 O ATOM 2286 O2P G B 107 103.113 -49.246 -44.144 1.00 0.00 O ATOM 2287 O5* G B 107 104.209 -51.444 -44.709 1.00 0.00 O ATOM 2288 C5* G B 107 105.302 -52.232 -45.211 1.00 0.00 C ATOM 2289 C4* G B 107 105.069 -53.699 -44.909 1.00 0.00 C ATOM 2290 O4* G B 107 105.151 -53.902 -43.468 1.00 0.00 O ATOM 2291 C3* G B 107 103.691 -54.243 -45.280 1.00 0.00 C ATOM 2292 O3* G B 107 103.631 -54.619 -46.620 1.00 0.00 O ATOM 2293 C2* G B 107 103.550 -55.429 -44.329 1.00 0.00 C ATOM 2294 O2* G B 107 104.324 -56.529 -44.778 1.00 0.00 O ATOM 2295 C1* G B 107 104.224 -54.896 -43.070 1.00 0.00 C ATOM 2296 N9 G B 107 103.279 -54.280 -42.097 1.00 0.00 N ATOM 2297 C8 G B 107 103.074 -52.950 -41.805 1.00 0.00 C ATOM 2298 N7 G B 107 102.156 -52.739 -40.890 1.00 0.00 N ATOM 2299 C5 G B 107 101.724 -54.021 -40.555 1.00 0.00 C ATOM 2300 C6 G B 107 100.741 -54.437 -39.619 1.00 0.00 C ATOM 2301 O6 G B 107 100.038 -53.748 -38.883 1.00 0.00 O ATOM 2302 N1 G B 107 100.615 -55.832 -39.598 1.00 0.00 N ATOM 2303 C2 G B 107 101.343 -56.713 -40.374 1.00 0.00 C ATOM 2304 N2 G B 107 101.077 -58.006 -40.203 1.00 0.00 N ATOM 2305 N3 G B 107 102.266 -56.319 -41.250 1.00 0.00 N ATOM 2306 C4 G B 107 102.402 -54.967 -41.285 1.00 0.00 C ATOM 2307 P G B 108 102.223 -54.427 -47.425 1.00 0.00 P ATOM 2308 O1P G B 108 102.452 -54.526 -48.885 1.00 0.00 O ATOM 2309 O2P G B 108 101.552 -53.194 -46.960 1.00 0.00 O ATOM 2310 O5* G B 108 101.412 -55.708 -46.919 1.00 0.00 O ATOM 2311 C5* G B 108 101.938 -57.023 -47.186 1.00 0.00 C ATOM 2312 C4* G B 108 101.082 -58.073 -46.511 1.00 0.00 C ATOM 2313 O4* G B 108 101.229 -57.947 -45.069 1.00 0.00 O ATOM 2314 C3* G B 108 99.576 -57.951 -46.741 1.00 0.00 C ATOM 2315 O3* G B 108 99.188 -58.551 -47.939 1.00 0.00 O ATOM 2316 C2* G B 108 99.006 -58.659 -45.517 1.00 0.00 C ATOM 2317 O2* G B 108 99.116 -60.068 -45.655 1.00 0.00 O ATOM 2318 C1* G B 108 99.997 -58.244 -44.433 1.00 0.00 C ATOM 2319 N9 G B 108 99.572 -57.038 -43.665 1.00 0.00 N ATOM 2320 C8 G B 108 100.054 -55.749 -43.733 1.00 0.00 C ATOM 2321 N7 G B 108 99.459 -54.914 -42.916 1.00 0.00 N ATOM 2322 C5 G B 108 98.516 -55.705 -42.262 1.00 0.00 C ATOM 2323 C6 G B 108 97.569 -55.362 -41.261 1.00 0.00 C ATOM 2324 O6 G B 108 97.367 -54.269 -40.738 1.00 0.00 O ATOM 2325 N1 G B 108 96.808 -56.472 -40.875 1.00 0.00 N ATOM 2326 C2 G B 108 96.940 -57.746 -41.386 1.00 0.00 C ATOM 2327 N2 G B 108 96.117 -58.669 -40.885 1.00 0.00 N ATOM 2328 N3 G B 108 97.827 -58.067 -42.325 1.00 0.00 N ATOM 2329 C4 G B 108 98.578 -57.003 -42.713 1.00 0.00 C ATOM 2330 P C B 109 97.950 -57.897 -48.782 1.00 0.00 P ATOM 2331 O1P C B 109 97.935 -58.432 -50.161 1.00 0.00 O ATOM 2332 O2P C B 109 98.002 -56.421 -48.661 1.00 0.00 O ATOM 2333 O5* C B 109 96.698 -58.465 -47.965 1.00 0.00 O ATOM 2334 C5* C B 109 96.512 -59.890 -47.874 1.00 0.00 C ATOM 2335 C4* C B 109 95.347 -60.202 -46.959 1.00 0.00 C ATOM 2336 O4* C B 109 95.703 -59.831 -45.595 1.00 0.00 O ATOM 2337 C3* C B 109 94.058 -59.422 -47.228 1.00 0.00 C ATOM 2338 O3* C B 109 93.299 -60.020 -48.228 1.00 0.00 O ATOM 2339 C2* C B 109 93.374 -59.459 -45.864 1.00 0.00 C ATOM 2340 O2* C B 109 92.788 -60.728 -45.628 1.00 0.00 O ATOM 2341 C1* C B 109 94.563 -59.335 -44.916 1.00 0.00 C ATOM 2342 N1 C B 109 94.850 -57.934 -44.498 1.00 0.00 N ATOM 2343 C2 C B 109 93.991 -57.343 -43.574 1.00 0.00 C ATOM 2344 O2 C B 109 93.033 -58.000 -43.142 1.00 0.00 O ATOM 2345 N3 C B 109 94.232 -56.067 -43.177 1.00 0.00 N ATOM 2346 C4 C B 109 95.279 -55.390 -43.667 1.00 0.00 C ATOM 2347 N4 C B 109 95.473 -54.148 -43.248 1.00 0.00 N ATOM 2348 C5 C B 109 96.175 -55.977 -44.618 1.00 0.00 C ATOM 2349 C6 C B 109 95.913 -57.254 -45.001 1.00 0.00 C ATOM 2350 P G B 110 92.425 -59.069 -49.227 1.00 0.00 P ATOM 2351 O1P G B 110 91.997 -59.832 -50.417 1.00 0.00 O ATOM 2352 O2P G B 110 93.176 -57.820 -49.495 1.00 0.00 O ATOM 2353 O5* G B 110 91.156 -58.747 -48.303 1.00 0.00 O ATOM 2354 C5* G B 110 90.336 -59.835 -47.845 1.00 0.00 C ATOM 2355 C4* G B 110 89.276 -59.321 -46.892 1.00 0.00 C ATOM 2356 O4* G B 110 89.926 -58.862 -45.671 1.00 0.00 O ATOM 2357 C3* G B 110 88.488 -58.101 -47.370 1.00 0.00 C ATOM 2358 O3* G B 110 87.421 -58.472 -48.187 1.00 0.00 O ATOM 2359 C2* G B 110 88.029 -57.482 -46.052 1.00 0.00 C ATOM 2360 O2* G B 110 86.951 -58.215 -45.499 1.00 0.00 O ATOM 2361 C1* G B 110 89.238 -57.731 -45.158 1.00 0.00 C ATOM 2362 N9 G B 110 90.199 -56.591 -45.117 1.00 0.00 N ATOM 2363 C8 G B 110 91.437 -56.474 -45.709 1.00 0.00 C ATOM 2364 N7 G B 110 92.031 -55.330 -45.473 1.00 0.00 N ATOM 2365 C5 G B 110 91.124 -54.638 -44.671 1.00 0.00 C ATOM 2366 C6 G B 110 91.210 -53.345 -44.099 1.00 0.00 C ATOM 2367 O6 G B 110 92.120 -52.524 -44.184 1.00 0.00 O ATOM 2368 N1 G B 110 90.064 -53.038 -43.352 1.00 0.00 N ATOM 2369 C2 G B 110 88.976 -53.871 -43.182 1.00 0.00 C ATOM 2370 N2 G B 110 87.979 -53.395 -42.434 1.00 0.00 N ATOM 2371 N3 G B 110 88.897 -55.087 -43.721 1.00 0.00 N ATOM 2372 C4 G B 110 90.003 -55.402 -44.447 1.00 0.00 C ATOM 2373 P A B 111 86.661 -56.525 -47.943 1.00 0.00 P ATOM 2374 O1P A B 111 85.980 -56.082 -49.177 1.00 0.00 O ATOM 2375 O2P A B 111 87.920 -55.821 -47.613 1.00 0.00 O ATOM 2376 O5* A B 111 86.163 -55.462 -46.341 1.00 0.00 O ATOM 2377 C5* A B 111 86.661 -53.949 -46.222 1.00 0.00 C ATOM 2378 C4* A B 111 87.908 -53.136 -47.092 1.00 0.00 C ATOM 2379 O4* A B 111 88.373 -53.731 -48.340 1.00 0.00 O ATOM 2380 C3* A B 111 88.573 -51.758 -47.072 1.00 0.00 C ATOM 2381 O3* A B 111 88.897 -50.744 -45.943 1.00 0.00 O ATOM 2382 C2* A B 111 89.930 -52.050 -47.706 1.00 0.00 C ATOM 2383 O2* A B 111 90.788 -52.705 -46.785 1.00 0.00 O ATOM 2384 C1* A B 111 89.559 -53.079 -48.769 1.00 0.00 C ATOM 2385 N9 A B 111 89.288 -52.442 -50.294 1.00 0.00 N ATOM 2386 C8 A B 111 88.383 -52.856 -51.243 1.00 0.00 C ATOM 2387 N7 A B 111 88.522 -52.271 -52.392 1.00 0.00 N ATOM 2388 C5 A B 111 89.594 -51.408 -52.201 1.00 0.00 C ATOM 2389 C6 A B 111 90.241 -50.497 -53.053 1.00 0.00 C ATOM 2390 N6 A B 111 89.883 -50.298 -54.331 1.00 0.00 N ATOM 2391 N1 A B 111 91.271 -49.797 -52.543 1.00 0.00 N ATOM 2392 C2 A B 111 91.620 -50.000 -51.274 1.00 0.00 C ATOM 2393 N3 A B 111 91.092 -50.819 -50.388 1.00 0.00 N ATOM 2394 C4 A B 111 90.061 -51.508 -50.924 1.00 0.00 C ATOM 2395 P U B 112 89.935 -49.291 -46.588 1.00 0.00 P ATOM 2396 O1P U B 112 89.210 -48.078 -46.147 1.00 0.00 O ATOM 2397 O2P U B 112 90.036 -49.486 -48.052 1.00 0.00 O ATOM 2398 O5* U B 112 91.651 -49.442 -45.831 1.00 0.00 O ATOM 2399 C5* U B 112 93.051 -49.946 -45.495 1.00 0.00 C ATOM 2400 C4* U B 112 94.753 -49.470 -45.162 1.00 0.00 C ATOM 2401 O4* U B 112 95.384 -50.780 -45.169 1.00 0.00 O ATOM 2402 C3* U B 112 95.466 -48.718 -44.039 1.00 0.00 C ATOM 2403 O3* U B 112 96.889 -47.758 -44.071 1.00 0.00 O ATOM 2404 C2* U B 112 95.699 -49.827 -43.013 1.00 0.00 C ATOM 2405 O2* U B 112 94.504 -50.131 -42.323 1.00 0.00 O ATOM 2406 C1* U B 112 96.005 -51.022 -43.913 1.00 0.00 C ATOM 2407 N1 U B 112 97.641 -51.300 -44.176 1.00 0.00 N ATOM 2408 C2 U B 112 98.506 -50.928 -43.175 1.00 0.00 C ATOM 2409 O2 U B 112 98.136 -50.460 -42.114 1.00 0.00 O ATOM 2410 N3 U B 112 99.849 -51.129 -43.452 1.00 0.00 N ATOM 2411 C4 U B 112 100.377 -51.651 -44.611 1.00 0.00 C ATOM 2412 O4 U B 112 101.599 -51.779 -44.741 1.00 0.00 O ATOM 2413 C5 U B 112 99.391 -52.003 -45.601 1.00 0.00 C ATOM 2414 C6 U B 112 98.083 -51.823 -45.364 1.00 0.00 C ATOM 2415 P U B 113 96.728 -45.857 -43.670 1.00 0.00 P ATOM 2416 O1P U B 113 96.070 -45.863 -42.342 1.00 0.00 O ATOM 2417 O2P U B 113 95.860 -45.497 -44.818 1.00 0.00 O ATOM 2418 O5* U B 113 97.717 -44.270 -42.958 1.00 0.00 O ATOM 2419 C5* U B 113 96.949 -43.004 -42.216 1.00 0.00 C ATOM 2420 C4* U B 113 97.164 -41.137 -42.173 1.00 0.00 C ATOM 2421 O4* U B 113 96.665 -40.173 -43.141 1.00 0.00 O ATOM 2422 C3* U B 113 98.684 -41.084 -42.359 1.00 0.00 C ATOM 2423 O3* U B 113 99.367 -39.636 -41.728 1.00 0.00 O ATOM 2424 C2* U B 113 98.818 -40.867 -43.863 1.00 0.00 C ATOM 2425 O2* U B 113 98.574 -42.071 -44.569 1.00 0.00 O ATOM 2426 C1* U B 113 97.637 -39.939 -44.146 1.00 0.00 C ATOM 2427 N1 U B 113 98.074 -38.069 -44.145 1.00 0.00 N ATOM 2428 C2 U B 113 99.340 -37.727 -43.741 1.00 0.00 C ATOM 2429 O2 U B 113 100.129 -38.530 -43.277 1.00 0.00 O ATOM 2430 N3 U B 113 99.676 -36.396 -43.904 1.00 0.00 N ATOM 2431 C4 U B 113 98.864 -35.402 -44.416 1.00 0.00 C ATOM 2432 O4 U B 113 99.276 -34.244 -44.513 1.00 0.00 O ATOM 2433 C5 U B 113 97.550 -35.857 -44.808 1.00 0.00 C ATOM 2434 C6 U B 113 97.201 -37.146 -44.666 1.00 0.00 C ATOM 2435 P U B 114 100.868 -39.503 -40.642 1.00 0.00 P ATOM 2436 O1P U B 114 101.928 -40.524 -40.796 1.00 0.00 O ATOM 2437 O2P U B 114 99.956 -39.689 -39.494 1.00 0.00 O ATOM 2438 O5* U B 114 101.527 -38.047 -40.581 1.00 0.00 O ATOM 2439 C5* U B 114 101.960 -37.527 -39.311 1.00 0.00 C ATOM 2440 C4* U B 114 102.661 -36.197 -39.502 1.00 0.00 C ATOM 2441 O4* U B 114 103.914 -36.424 -40.208 1.00 0.00 O ATOM 2442 C3* U B 114 101.925 -35.178 -40.375 1.00 0.00 C ATOM 2443 O3* U B 114 100.988 -34.458 -39.638 1.00 0.00 O ATOM 2444 C2* U B 114 103.073 -34.304 -40.881 1.00 0.00 C ATOM 2445 O2* U B 114 103.516 -33.420 -39.868 1.00 0.00 O ATOM 2446 C1* U B 114 104.178 -35.337 -41.083 1.00 0.00 C ATOM 2447 N1 U B 114 104.254 -35.869 -42.471 1.00 0.00 N ATOM 2448 C2 U B 114 104.776 -35.039 -43.433 1.00 0.00 C ATOM 2449 O2 U B 114 105.170 -33.911 -43.192 1.00 0.00 O ATOM 2450 N3 U B 114 104.831 -35.568 -44.708 1.00 0.00 N ATOM 2451 C4 U B 114 104.413 -36.826 -45.092 1.00 0.00 C ATOM 2452 O4 U B 114 104.510 -37.190 -46.265 1.00 0.00 O ATOM 2453 C5 U B 114 103.877 -37.624 -44.012 1.00 0.00 C ATOM 2454 C6 U B 114 103.814 -37.134 -42.763 1.00 0.00 C ATOM 2455 P C B 115 99.607 -33.983 -40.374 1.00 0.00 P ATOM 2456 O1P C B 115 98.606 -33.574 -39.365 1.00 0.00 O ATOM 2457 O2P C B 115 99.174 -35.031 -41.325 1.00 0.00 O ATOM 2458 O5* C B 115 100.125 -32.699 -41.177 1.00 0.00 O ATOM 2459 C5* C B 115 100.678 -31.592 -40.444 1.00 0.00 C ATOM 2460 C4* C B 115 101.212 -30.549 -41.406 1.00 0.00 C ATOM 2461 O4* C B 115 102.369 -31.097 -42.099 1.00 0.00 O ATOM 2462 C3* C B 115 100.265 -30.137 -42.534 1.00 0.00 C ATOM 2463 O3* C B 115 99.375 -29.151 -42.123 1.00 0.00 O ATOM 2464 C2* C B 115 101.242 -29.645 -43.602 1.00 0.00 C ATOM 2465 O2* C B 115 101.733 -28.355 -43.276 1.00 0.00 O ATOM 2466 C1* C B 115 102.402 -30.619 -43.435 1.00 0.00 C ATOM 2467 N1 C B 115 102.332 -31.796 -44.346 1.00 0.00 N ATOM 2468 C2 C B 115 102.634 -31.593 -45.690 1.00 0.00 C ATOM 2469 O2 C B 115 102.945 -30.458 -46.067 1.00 0.00 O ATOM 2470 N3 C B 115 102.578 -32.653 -46.538 1.00 0.00 N ATOM 2471 C4 C B 115 102.239 -33.868 -46.088 1.00 0.00 C ATOM 2472 N4 C B 115 102.196 -34.869 -46.955 1.00 0.00 N ATOM 2473 C5 C B 115 101.924 -34.095 -44.709 1.00 0.00 C ATOM 2474 C6 C B 115 101.988 -33.025 -43.880 1.00 0.00 C ATOM 2475 P C B 116 97.867 -29.144 -42.749 1.00 0.00 P ATOM 2476 O1P C B 116 96.979 -28.279 -41.940 1.00 0.00 O ATOM 2477 O2P C B 116 97.408 -30.536 -42.944 1.00 0.00 O ATOM 2478 O5* C B 116 98.138 -28.459 -44.172 1.00 0.00 O ATOM 2479 C5* C B 116 98.675 -27.124 -44.212 1.00 0.00 C ATOM 2480 C4* C B 116 98.965 -26.728 -45.646 1.00 0.00 C ATOM 2481 O4* C B 116 100.065 -27.542 -46.149 1.00 0.00 O ATOM 2482 C3* C B 116 97.837 -26.975 -46.646 1.00 0.00 C ATOM 2483 O3* C B 116 96.921 -25.927 -46.652 1.00 0.00 O ATOM 2484 C2* C B 116 98.599 -27.095 -47.964 1.00 0.00 C ATOM 2485 O2* C B 116 99.003 -25.821 -48.431 1.00 0.00 O ATOM 2486 C1* C B 116 99.861 -27.828 -47.524 1.00 0.00 C ATOM 2487 N1 C B 116 99.782 -29.308 -47.678 1.00 0.00 N ATOM 2488 C2 C B 116 99.871 -29.831 -48.967 1.00 0.00 C ATOM 2489 O2 C B 116 100.012 -29.053 -49.917 1.00 0.00 O ATOM 2490 N3 C B 116 99.801 -31.177 -49.130 1.00 0.00 N ATOM 2491 C4 C B 116 99.647 -31.985 -48.072 1.00 0.00 C ATOM 2492 N4 C B 116 99.584 -33.291 -48.284 1.00 0.00 N ATOM 2493 C5 C B 116 99.553 -31.468 -46.741 1.00 0.00 C ATOM 2494 C6 C B 116 99.625 -30.119 -46.600 1.00 0.00 C ATOM 2495 P G B 117 95.437 -26.875 -47.385 1.00 0.00 P ATOM 2496 O1P G B 117 95.666 -27.192 -48.818 1.00 0.00 O ATOM 2497 O2P G B 117 94.200 -26.117 -47.081 1.00 0.00 O ATOM 2498 O5* G B 117 95.477 -28.562 -46.556 1.00 0.00 O ATOM 2499 C5* G B 117 95.348 -30.054 -46.377 1.00 0.00 C ATOM 2500 C4* G B 117 93.819 -30.780 -46.446 1.00 0.00 C ATOM 2501 O4* G B 117 93.126 -30.073 -47.514 1.00 0.00 O ATOM 2502 C3* G B 117 93.741 -32.249 -46.868 1.00 0.00 C ATOM 2503 O3* G B 117 93.594 -33.090 -45.513 1.00 0.00 O ATOM 2504 C2* G B 117 92.362 -32.323 -47.523 1.00 0.00 C ATOM 2505 O2* G B 117 91.342 -32.346 -46.539 1.00 0.00 O ATOM 2506 C1* G B 117 92.280 -30.967 -48.217 1.00 0.00 C ATOM 2507 N9 G B 117 92.755 -30.976 -49.859 1.00 0.00 N ATOM 2508 C8 G B 117 93.906 -30.479 -50.434 1.00 0.00 C ATOM 2509 N7 G B 117 93.921 -30.547 -51.742 1.00 0.00 N ATOM 2510 C5 G B 117 92.691 -31.132 -52.060 1.00 0.00 C ATOM 2511 C6 G B 117 92.133 -31.461 -53.319 1.00 0.00 C ATOM 2512 O6 G B 117 92.615 -31.301 -54.435 1.00 0.00 O ATOM 2513 N1 G B 117 90.865 -32.039 -53.179 1.00 0.00 N ATOM 2514 C2 G B 117 90.220 -32.267 -51.983 1.00 0.00 C ATOM 2515 N2 G B 117 89.009 -32.830 -52.063 1.00 0.00 N ATOM 2516 N3 G B 117 90.742 -31.962 -50.797 1.00 0.00 N ATOM 2517 C4 G B 117 91.972 -31.397 -50.914 1.00 0.00 C ATOM 2518 P A B 118 93.637 -34.944 -45.480 1.00 0.00 P ATOM 2519 O1P A B 118 94.392 -35.373 -44.287 1.00 0.00 O ATOM 2520 O2P A B 118 94.171 -35.401 -46.782 1.00 0.00 O ATOM 2521 O5* A B 118 91.846 -35.489 -45.276 1.00 0.00 O ATOM 2522 C5* A B 118 90.805 -36.643 -45.332 1.00 0.00 C ATOM 2523 C4* A B 118 91.440 -38.072 -44.642 1.00 0.00 C ATOM 2524 O4* A B 118 92.460 -37.257 -43.994 1.00 0.00 O ATOM 2525 C3* A B 118 90.911 -38.957 -43.512 1.00 0.00 C ATOM 2526 O3* A B 118 90.413 -40.546 -43.776 1.00 0.00 O ATOM 2527 C2* A B 118 92.169 -39.226 -42.691 1.00 0.00 C ATOM 2528 O2* A B 118 92.989 -40.188 -43.326 1.00 0.00 O ATOM 2529 C1* A B 118 92.894 -37.886 -42.796 1.00 0.00 C ATOM 2530 N9 A B 118 92.602 -36.789 -41.461 1.00 0.00 N ATOM 2531 C8 A B 118 92.055 -35.526 -41.500 1.00 0.00 C ATOM 2532 N7 A B 118 92.159 -34.877 -40.382 1.00 0.00 N ATOM 2533 C5 A B 118 92.816 -35.758 -39.538 1.00 0.00 C ATOM 2534 C6 A B 118 93.223 -35.657 -38.200 1.00 0.00 C ATOM 2535 N6 A B 118 93.022 -34.568 -37.441 1.00 0.00 N ATOM 2536 N1 A B 118 93.854 -36.719 -37.663 1.00 0.00 N ATOM 2537 C2 A B 118 94.052 -37.796 -38.417 1.00 0.00 C ATOM 2538 N3 A B 118 93.717 -38.004 -39.672 1.00 0.00 N ATOM 2539 C4 A B 118 93.089 -36.926 -40.187 1.00 0.00 C ATOM 2540 P A B 119 89.707 -42.084 -42.750 1.00 0.00 P ATOM 2541 O1P A B 119 88.876 -42.698 -43.804 1.00 0.00 O ATOM 2542 O2P A B 119 88.979 -41.615 -41.546 1.00 0.00 O ATOM 2543 O5* A B 119 90.813 -43.590 -42.134 1.00 0.00 O ATOM 2544 C5* A B 119 91.507 -45.032 -41.944 1.00 0.00 C ATOM 2545 C4* A B 119 92.918 -45.758 -40.971 1.00 0.00 C ATOM 2546 O4* A B 119 94.281 -45.952 -41.443 1.00 0.00 O ATOM 2547 C3* A B 119 92.453 -47.171 -40.602 1.00 0.00 C ATOM 2548 O3* A B 119 92.264 -47.452 -38.718 1.00 0.00 O ATOM 2549 C2* A B 119 93.129 -48.017 -41.677 1.00 0.00 C ATOM 2550 O2* A B 119 92.454 -47.897 -42.914 1.00 0.00 O ATOM 2551 C1* A B 119 94.471 -47.303 -41.831 1.00 0.00 C ATOM 2552 N9 A B 119 95.680 -47.929 -40.941 1.00 0.00 N ATOM 2553 C8 A B 119 97.022 -47.635 -41.007 1.00 0.00 C ATOM 2554 N7 A B 119 97.780 -48.474 -40.366 1.00 0.00 N ATOM 2555 C5 A B 119 96.884 -49.389 -39.828 1.00 0.00 C ATOM 2556 C6 A B 119 97.060 -50.531 -39.031 1.00 0.00 C ATOM 2557 N6 A B 119 98.261 -50.965 -38.619 1.00 0.00 N ATOM 2558 N1 A B 119 95.960 -51.212 -38.669 1.00 0.00 N ATOM 2559 C2 A B 119 94.772 -50.776 -39.082 1.00 0.00 C ATOM 2560 N3 A B 119 94.484 -49.725 -39.821 1.00 0.00 N ATOM 2561 C4 A B 119 95.602 -49.060 -40.169 1.00 0.00 C ATOM 2562 P U B 120 92.120 -46.686 -36.688 1.00 0.00 P ATOM 2563 O1P U B 120 92.768 -45.358 -36.686 1.00 0.00 O ATOM 2564 O2P U B 120 90.655 -46.687 -36.907 1.00 0.00 O ATOM 2565 O5* U B 120 90.717 -46.406 -34.952 1.00 0.00 O ATOM 2566 C5* U B 120 89.122 -46.294 -34.336 1.00 0.00 C ATOM 2567 C4* U B 120 87.726 -47.303 -33.691 1.00 0.00 C ATOM 2568 O4* U B 120 87.037 -48.370 -34.399 1.00 0.00 O ATOM 2569 C3* U B 120 86.809 -46.996 -32.503 1.00 0.00 C ATOM 2570 O3* U B 120 86.873 -47.340 -30.987 1.00 0.00 O ATOM 2571 C2* U B 120 85.425 -47.187 -33.112 1.00 0.00 C ATOM 2572 O2* U B 120 85.075 -46.085 -33.928 1.00 0.00 O ATOM 2573 C1* U B 120 85.661 -48.369 -34.052 1.00 0.00 C ATOM 2574 N1 U B 120 85.254 -49.957 -33.363 1.00 0.00 N ATOM 2575 C2 U B 120 83.970 -50.127 -32.914 1.00 0.00 C ATOM 2576 O2 U B 120 83.164 -49.217 -32.853 1.00 0.00 O ATOM 2577 N3 U B 120 83.641 -51.412 -32.527 1.00 0.00 N ATOM 2578 C4 U B 120 84.472 -52.515 -32.554 1.00 0.00 C ATOM 2579 O4 U B 120 84.066 -53.616 -32.183 1.00 0.00 O ATOM 2580 C5 U B 120 85.804 -52.231 -33.043 1.00 0.00 C ATOM 2581 C6 U B 120 86.149 -50.996 -33.423 1.00 0.00 C ATOM 2582 P G B 121 86.730 -49.135 -30.529 1.00 0.00 P ATOM 2583 O1P G B 121 87.977 -49.268 -29.743 1.00 0.00 O ATOM 2584 O2P G B 121 86.545 -50.125 -31.613 1.00 0.00 O ATOM 2585 O5* G B 121 85.469 -49.158 -29.551 1.00 0.00 O ATOM 2586 C5* G B 121 84.873 -47.911 -29.146 1.00 0.00 C ATOM 2587 C4* G B 121 83.624 -48.172 -28.329 1.00 0.00 C ATOM 2588 O4* G B 121 82.607 -48.758 -29.193 1.00 0.00 O ATOM 2589 C3* G B 121 83.773 -49.189 -27.195 1.00 0.00 C ATOM 2590 O3* G B 121 84.280 -48.596 -26.041 1.00 0.00 O ATOM 2591 C2* G B 121 82.338 -49.684 -27.020 1.00 0.00 C ATOM 2592 O2* G B 121 81.554 -48.727 -26.330 1.00 0.00 O ATOM 2593 C1* G B 121 81.842 -49.704 -28.463 1.00 0.00 C ATOM 2594 N9 G B 121 81.997 -51.028 -29.130 1.00 0.00 N ATOM 2595 C8 G B 121 82.905 -51.420 -30.089 1.00 0.00 C ATOM 2596 N7 G B 121 82.767 -52.669 -30.473 1.00 0.00 N ATOM 2597 C5 G B 121 81.694 -53.133 -29.712 1.00 0.00 C ATOM 2598 C6 G B 121 81.080 -54.413 -29.686 1.00 0.00 C ATOM 2599 O6 G B 121 81.361 -55.416 -30.339 1.00 0.00 O ATOM 2600 N1 G B 121 80.021 -54.453 -28.769 1.00 0.00 N ATOM 2601 C2 G B 121 79.609 -53.397 -27.980 1.00 0.00 C ATOM 2602 N2 G B 121 78.579 -53.636 -27.169 1.00 0.00 N ATOM 2603 N3 G B 121 80.186 -52.198 -28.006 1.00 0.00 N ATOM 2604 C4 G B 121 81.216 -52.140 -28.892 1.00 0.00 C ATOM 2605 P G B 122 85.256 -49.476 -25.069 1.00 0.00 P ATOM 2606 O1P G B 122 85.972 -48.590 -24.125 1.00 0.00 O ATOM 2607 O2P G B 122 86.109 -50.357 -25.898 1.00 0.00 O ATOM 2608 O5* G B 122 84.179 -50.355 -24.276 1.00 0.00 O ATOM 2609 C5* G B 122 83.189 -49.688 -23.476 1.00 0.00 C ATOM 2610 C4* G B 122 82.203 -50.698 -22.921 1.00 0.00 C ATOM 2611 O4* G B 122 81.422 -51.246 -24.021 1.00 0.00 O ATOM 2612 C3* G B 122 82.818 -51.930 -22.255 1.00 0.00 C ATOM 2613 O3* G B 122 83.150 -51.680 -20.924 1.00 0.00 O ATOM 2614 C2* G B 122 81.699 -52.961 -22.399 1.00 0.00 C ATOM 2615 O2* G B 122 80.669 -52.719 -21.457 1.00 0.00 O ATOM 2616 C1* G B 122 81.136 -52.614 -23.773 1.00 0.00 C ATOM 2617 N9 G B 122 81.730 -53.415 -24.882 1.00 0.00 N ATOM 2618 C8 G B 122 82.640 -53.032 -25.843 1.00 0.00 C ATOM 2619 N7 G B 122 82.960 -53.986 -26.682 1.00 0.00 N ATOM 2620 C5 G B 122 82.209 -55.078 -26.249 1.00 0.00 C ATOM 2621 C6 G B 122 82.133 -56.397 -26.763 1.00 0.00 C ATOM 2622 O6 G B 122 82.722 -56.885 -27.724 1.00 0.00 O ATOM 2623 N1 G B 122 81.246 -57.185 -26.019 1.00 0.00 N ATOM 2624 C2 G B 122 80.526 -56.756 -24.920 1.00 0.00 C ATOM 2625 N2 G B 122 79.732 -57.663 -24.346 1.00 0.00 N ATOM 2626 N3 G B 122 80.598 -55.520 -24.439 1.00 0.00 N ATOM 2627 C4 G B 122 81.455 -54.739 -25.149 1.00 0.00 C ATOM 2628 P G B 123 84.461 -52.419 -20.292 1.00 0.00 P ATOM 2629 O1P G B 123 84.858 -51.762 -19.024 1.00 0.00 O ATOM 2630 O2P G B 123 85.517 -52.517 -21.326 1.00 0.00 O ATOM 2631 O5* G B 123 83.869 -53.874 -19.984 1.00 0.00 O ATOM 2632 C5* G B 123 82.763 -53.996 -19.069 1.00 0.00 C ATOM 2633 C4* G B 123 82.285 -55.437 -19.023 1.00 0.00 C ATOM 2634 O4* G B 123 81.686 -55.773 -20.308 1.00 0.00 O ATOM 2635 C3* G B 123 83.373 -56.490 -18.833 1.00 0.00 C ATOM 2636 O3* G B 123 83.690 -56.665 -17.489 1.00 0.00 O ATOM 2637 C2* G B 123 82.725 -57.731 -19.452 1.00 0.00 C ATOM 2638 O2* G B 123 81.758 -58.280 -18.573 1.00 0.00 O ATOM 2639 C1* G B 123 81.968 -57.127 -20.628 1.00 0.00 C ATOM 2640 N9 G B 123 82.730 -57.150 -21.909 1.00 0.00 N ATOM 2641 C8 G B 123 83.345 -56.112 -22.571 1.00 0.00 C ATOM 2642 N7 G B 123 83.939 -56.469 -23.685 1.00 0.00 N ATOM 2643 C5 G B 123 83.699 -57.842 -23.766 1.00 0.00 C ATOM 2644 C6 G B 123 84.094 -58.787 -24.749 1.00 0.00 C ATOM 2645 O6 G B 123 84.747 -58.600 -25.773 1.00 0.00 O ATOM 2646 N1 G B 123 83.634 -60.073 -24.438 1.00 0.00 N ATOM 2647 C2 G B 123 82.896 -60.407 -23.319 1.00 0.00 C ATOM 2648 N2 G B 123 82.556 -61.691 -23.203 1.00 0.00 N ATOM 2649 N3 G B 123 82.528 -59.520 -22.395 1.00 0.00 N ATOM 2650 C4 G B 123 82.962 -58.266 -22.684 1.00 0.00 C ATOM 2651 P G B 124 85.336 -56.032 -16.923 1.00 0.00 P ATOM 2652 O1P G B 124 85.896 -56.919 -15.880 1.00 0.00 O ATOM 2653 O2P G B 124 85.184 -54.608 -16.551 1.00 0.00 O ATOM 2654 O5* G B 124 86.299 -56.107 -18.498 1.00 0.00 O ATOM 2655 C5* G B 124 87.339 -55.072 -18.636 1.00 0.00 C ATOM 2656 C4* G B 124 88.802 -55.698 -19.042 1.00 0.00 C ATOM 2657 O4* G B 124 88.654 -57.119 -19.335 1.00 0.00 O ATOM 2658 C3* G B 124 89.517 -55.144 -20.278 1.00 0.00 C ATOM 2659 O3* G B 124 90.014 -53.717 -20.168 1.00 0.00 O ATOM 2660 C2* G B 124 90.453 -56.290 -20.647 1.00 0.00 C ATOM 2661 O2* G B 124 91.567 -56.332 -19.773 1.00 0.00 O ATOM 2662 C1* G B 124 89.592 -57.507 -20.323 1.00 0.00 C ATOM 2663 N9 G B 124 88.731 -58.149 -21.659 1.00 0.00 N ATOM 2664 C8 G B 124 87.585 -58.920 -21.668 1.00 0.00 C ATOM 2665 N7 G B 124 87.090 -59.127 -22.864 1.00 0.00 N ATOM 2666 C5 G B 124 87.964 -58.447 -23.707 1.00 0.00 C ATOM 2667 C6 G B 124 87.947 -58.307 -25.119 1.00 0.00 C ATOM 2668 O6 G B 124 87.145 -58.766 -25.930 1.00 0.00 O ATOM 2669 N1 G B 124 89.021 -57.532 -25.571 1.00 0.00 N ATOM 2670 C2 G B 124 89.992 -56.963 -24.764 1.00 0.00 C ATOM 2671 N2 G B 124 90.937 -56.256 -25.388 1.00 0.00 N ATOM 2672 N3 G B 124 90.005 -57.095 -23.437 1.00 0.00 N ATOM 2673 C4 G B 124 88.969 -57.845 -22.985 1.00 0.00 C ATOM 2674 P A B 125 91.457 -53.073 -21.098 1.00 0.00 P ATOM 2675 O1P A B 125 92.774 -53.441 -20.538 1.00 0.00 O ATOM 2676 O2P A B 125 91.219 -51.625 -21.287 1.00 0.00 O ATOM 2677 O5* A B 125 91.191 -53.998 -22.638 1.00 0.00 O ATOM 2678 C5* A B 125 90.078 -54.736 -23.039 1.00 0.00 C ATOM 2679 C4* A B 125 88.953 -53.942 -23.859 1.00 0.00 C ATOM 2680 O4* A B 125 88.337 -52.811 -23.180 1.00 0.00 O ATOM 2681 C3* A B 125 89.084 -53.471 -25.311 1.00 0.00 C ATOM 2682 O3* A B 125 89.472 -54.396 -26.459 1.00 0.00 O ATOM 2683 C2* A B 125 87.814 -52.637 -25.490 1.00 0.00 C ATOM 2684 O2* A B 125 86.685 -53.475 -25.657 1.00 0.00 O ATOM 2685 C1* A B 125 87.684 -51.973 -24.124 1.00 0.00 C ATOM 2686 N9 A B 125 88.350 -50.457 -24.026 1.00 0.00 N ATOM 2687 C8 A B 125 88.816 -49.794 -22.912 1.00 0.00 C ATOM 2688 N7 A B 125 89.368 -48.648 -23.173 1.00 0.00 N ATOM 2689 C5 A B 125 89.268 -48.535 -24.551 1.00 0.00 C ATOM 2690 C6 A B 125 89.673 -47.537 -25.455 1.00 0.00 C ATOM 2691 N6 A B 125 90.289 -46.409 -25.077 1.00 0.00 N ATOM 2692 N1 A B 125 89.420 -47.743 -26.760 1.00 0.00 N ATOM 2693 C2 A B 125 88.811 -48.870 -27.127 1.00 0.00 C ATOM 2694 N3 A B 125 88.384 -49.869 -26.381 1.00 0.00 N ATOM 2695 C4 A B 125 88.652 -49.636 -25.077 1.00 0.00 C ATOM 2696 P A B 126 88.580 -54.088 -28.027 1.00 0.00 P ATOM 2697 O1P A B 126 89.305 -54.639 -29.195 1.00 0.00 O ATOM 2698 O2P A B 126 88.120 -52.685 -28.159 1.00 0.00 O ATOM 2699 O5* A B 126 87.241 -55.186 -27.466 1.00 0.00 O ATOM 2700 C5* A B 126 86.756 -56.526 -27.306 1.00 0.00 C ATOM 2701 C4* A B 126 87.530 -57.563 -28.301 1.00 0.00 C ATOM 2702 O4* A B 126 88.121 -57.107 -29.550 1.00 0.00 O ATOM 2703 C3* A B 126 87.421 -59.078 -28.480 1.00 0.00 C ATOM 2704 O3* A B 126 88.682 -60.023 -28.044 1.00 0.00 O ATOM 2705 C2* A B 126 87.083 -59.204 -29.963 1.00 0.00 C ATOM 2706 O2* A B 126 85.723 -58.879 -30.197 1.00 0.00 O ATOM 2707 C1* A B 126 87.918 -58.079 -30.567 1.00 0.00 C ATOM 2708 N9 A B 126 89.409 -58.553 -31.142 1.00 0.00 N ATOM 2709 C8 A B 126 90.650 -58.072 -30.793 1.00 0.00 C ATOM 2710 N7 A B 126 91.638 -58.764 -31.272 1.00 0.00 N ATOM 2711 C5 A B 126 91.018 -59.778 -31.990 1.00 0.00 C ATOM 2712 C6 A B 126 91.522 -60.852 -32.740 1.00 0.00 C ATOM 2713 N6 A B 126 92.832 -61.094 -32.897 1.00 0.00 N ATOM 2714 N1 A B 126 90.632 -61.669 -33.326 1.00 0.00 N ATOM 2715 C2 A B 126 89.333 -61.429 -33.165 1.00 0.00 C ATOM 2716 N3 A B 126 88.747 -60.457 -32.489 1.00 0.00 N ATOM 2717 C4 A B 126 89.658 -59.654 -31.915 1.00 0.00 C ATOM 2718 P A B 127 88.824 -61.369 -26.804 1.00 0.00 P ATOM 2719 O1P A B 127 87.762 -61.317 -25.777 1.00 0.00 O ATOM 2720 O2P A B 127 90.214 -61.417 -26.295 1.00 0.00 O ATOM 2721 O5* A B 127 88.536 -62.724 -28.002 1.00 0.00 O ATOM 2722 C5* A B 127 87.824 -63.982 -27.912 1.00 0.00 C ATOM 2723 C4* A B 127 88.336 -65.244 -28.777 1.00 0.00 C ATOM 2724 O4* A B 127 89.118 -66.329 -28.199 1.00 0.00 O ATOM 2725 C3* A B 127 88.164 -65.653 -30.240 1.00 0.00 C ATOM 2726 O3* A B 127 86.840 -66.439 -30.693 1.00 0.00 O ATOM 2727 C2* A B 127 89.504 -66.320 -30.544 1.00 0.00 C ATOM 2728 O2* A B 127 90.522 -65.350 -30.728 1.00 0.00 O ATOM 2729 C1* A B 127 89.799 -67.032 -29.227 1.00 0.00 C ATOM 2730 N9 A B 127 91.411 -67.112 -28.827 1.00 0.00 N ATOM 2731 C8 A B 127 91.977 -67.342 -27.592 1.00 0.00 C ATOM 2732 N7 A B 127 93.271 -67.217 -27.572 1.00 0.00 N ATOM 2733 C5 A B 127 93.593 -66.875 -28.880 1.00 0.00 C ATOM 2734 C6 A B 127 94.819 -66.603 -29.515 1.00 0.00 C ATOM 2735 N6 A B 127 95.999 -66.634 -28.881 1.00 0.00 N ATOM 2736 N1 A B 127 94.782 -66.301 -30.825 1.00 0.00 N ATOM 2737 C2 A B 127 93.604 -66.273 -31.447 1.00 0.00 C ATOM 2738 N3 A B 127 92.406 -66.509 -30.965 1.00 0.00 N ATOM 2739 C4 A B 127 92.465 -66.811 -29.650 1.00 0.00 C ATOM 2740 P C B 128 85.484 -66.178 -31.881 1.00 0.00 P ATOM 2741 O1P C B 128 85.334 -67.453 -32.620 1.00 0.00 O ATOM 2742 O2P C B 128 85.290 -64.948 -32.677 1.00 0.00 O ATOM 2743 O5* C B 128 84.506 -66.169 -30.614 1.00 0.00 O ATOM 2744 C5* C B 128 84.113 -67.422 -30.024 1.00 0.00 C ATOM 2745 C4* C B 128 83.296 -67.174 -28.773 1.00 0.00 C ATOM 2746 O4* C B 128 84.163 -66.590 -27.757 1.00 0.00 O ATOM 2747 C3* C B 128 82.156 -66.164 -28.910 1.00 0.00 C ATOM 2748 O3* C B 128 81.006 -66.760 -29.418 1.00 0.00 O ATOM 2749 C2* C B 128 81.985 -65.678 -27.473 1.00 0.00 C ATOM 2750 O2* C B 128 81.302 -66.645 -26.692 1.00 0.00 O ATOM 2751 C1* C B 128 83.430 -65.653 -26.982 1.00 0.00 C ATOM 2752 N1 C B 128 84.087 -64.324 -27.129 1.00 0.00 N ATOM 2753 C2 C B 128 83.718 -63.315 -26.242 1.00 0.00 C ATOM 2754 O2 C B 128 82.868 -63.562 -25.377 1.00 0.00 O ATOM 2755 N3 C B 128 84.305 -62.097 -26.357 1.00 0.00 N ATOM 2756 C4 C B 128 85.222 -61.868 -27.308 1.00 0.00 C ATOM 2757 N4 C B 128 85.766 -60.663 -27.376 1.00 0.00 N ATOM 2758 C5 C B 128 85.616 -62.892 -28.229 1.00 0.00 C ATOM 2759 C6 C B 128 85.017 -64.101 -28.096 1.00 0.00 C ATOM 2760 P C B 129 80.028 -65.879 -30.384 1.00 0.00 P ATOM 2761 O1P C B 129 79.085 -66.767 -31.104 1.00 0.00 O ATOM 2762 O2P C B 129 80.846 -64.988 -31.236 1.00 0.00 O ATOM 2763 O5* C B 129 79.230 -65.013 -29.300 1.00 0.00 O ATOM 2764 C5* C B 129 78.439 -65.692 -28.311 1.00 0.00 C ATOM 2765 C4* C B 129 77.880 -64.692 -27.315 1.00 0.00 C ATOM 2766 O4* C B 129 78.978 -64.142 -26.536 1.00 0.00 O ATOM 2767 C3* C B 129 77.203 -63.459 -27.922 1.00 0.00 C ATOM 2768 O3* C B 129 75.874 -63.717 -28.251 1.00 0.00 O ATOM 2769 C2* C B 129 77.345 -62.433 -26.798 1.00 0.00 C ATOM 2770 O2* C B 129 76.411 -62.688 -25.765 1.00 0.00 O ATOM 2771 C1* C B 129 78.725 -62.778 -26.242 1.00 0.00 C ATOM 2772 N1 C B 129 79.826 -61.966 -26.832 1.00 0.00 N ATOM 2773 C2 C B 129 79.942 -60.637 -26.433 1.00 0.00 C ATOM 2774 O2 C B 129 79.131 -60.192 -25.612 1.00 0.00 O ATOM 2775 N3 C B 129 80.937 -59.881 -26.958 1.00 0.00 N ATOM 2776 C4 C B 129 81.795 -60.401 -27.846 1.00 0.00 C ATOM 2777 N4 C B 129 82.750 -59.623 -28.331 1.00 0.00 N ATOM 2778 C5 C B 129 81.692 -61.766 -28.272 1.00 0.00 C ATOM 2779 C6 C B 129 80.689 -62.505 -27.734 1.00 0.00 C ATOM 2780 P C B 130 75.233 -62.973 -29.556 1.00 0.00 P ATOM 2781 O1P C B 130 73.971 -63.635 -29.952 1.00 0.00 O ATOM 2782 O2P C B 130 76.261 -62.864 -30.616 1.00 0.00 O ATOM 2783 O5* C B 130 74.918 -61.525 -28.951 1.00 0.00 O ATOM 2784 C5* C B 130 74.005 -61.414 -27.843 1.00 0.00 C ATOM 2785 C4* C B 130 73.954 -59.981 -27.357 1.00 0.00 C ATOM 2786 O4* C B 130 75.238 -59.636 -26.760 1.00 0.00 O ATOM 2787 C3* C B 130 73.754 -58.916 -28.436 1.00 0.00 C ATOM 2788 O3* C B 130 72.407 -58.751 -28.748 1.00 0.00 O ATOM 2789 C2* C B 130 74.364 -57.678 -27.783 1.00 0.00 C ATOM 2790 O2* C B 130 73.487 -57.138 -26.808 1.00 0.00 O ATOM 2791 C1* C B 130 75.547 -58.280 -27.032 1.00 0.00 C ATOM 2792 N1 C B 130 76.825 -58.241 -27.800 1.00 0.00 N ATOM 2793 C2 C B 130 77.468 -57.016 -27.930 1.00 0.00 C ATOM 2794 O2 C B 130 76.960 -56.016 -27.410 1.00 0.00 O ATOM 2795 N3 C B 130 78.634 -56.961 -28.626 1.00 0.00 N ATOM 2796 C4 C B 130 79.153 -58.066 -29.177 1.00 0.00 C ATOM 2797 N4 C B 130 80.291 -57.961 -29.844 1.00 0.00 N ATOM 2798 C5 C B 130 78.506 -59.338 -29.052 1.00 0.00 C ATOM 2799 C6 C B 130 77.345 -59.372 -28.356 1.00 0.00 C ATOM 2800 P A B 131 71.302 -60.062 -29.607 1.00 0.00 P ATOM 2801 O1P A B 131 70.039 -60.815 -29.791 1.00 0.00 O ATOM 2802 O2P A B 131 72.517 -60.696 -30.166 1.00 0.00 O ATOM 2803 O5* A B 131 71.140 -58.582 -30.200 1.00 0.00 O ATOM 2804 C5* A B 131 70.066 -57.752 -29.723 1.00 0.00 C ATOM 2805 C4* A B 131 70.177 -56.364 -30.318 1.00 0.00 C ATOM 2806 O4* A B 131 71.365 -55.713 -29.779 1.00 0.00 O ATOM 2807 C3* A B 131 70.382 -56.306 -31.835 1.00 0.00 C ATOM 2808 O3* A B 131 69.172 -56.391 -32.516 1.00 0.00 O ATOM 2809 C2* A B 131 71.069 -54.954 -32.012 1.00 0.00 C ATOM 2810 O2* A B 131 70.131 -53.895 -31.895 1.00 0.00 O ATOM 2811 C1* A B 131 71.959 -54.894 -30.774 1.00 0.00 C ATOM 2812 N9 A B 131 73.343 -55.387 -31.010 1.00 0.00 N ATOM 2813 C8 A B 131 73.922 -56.570 -30.611 1.00 0.00 C ATOM 2814 N7 A B 131 75.161 -56.702 -30.978 1.00 0.00 N ATOM 2815 C5 A B 131 75.431 -55.529 -31.669 1.00 0.00 C ATOM 2816 C6 A B 131 76.583 -55.055 -32.317 1.00 0.00 C ATOM 2817 N6 A B 131 77.735 -55.742 -32.373 1.00 0.00 N ATOM 2818 N1 A B 131 76.510 -53.849 -32.905 1.00 0.00 N ATOM 2819 C2 A B 131 75.364 -53.172 -32.846 1.00 0.00 C ATOM 2820 N3 A B 131 74.228 -53.513 -32.275 1.00 0.00 N ATOM 2821 C4 A B 131 74.329 -54.724 -31.694 1.00 0.00 C ATOM 2822 P G B 132 69.136 -57.149 -33.960 1.00 0.00 P ATOM 2823 O1P G B 132 67.737 -57.456 -34.344 1.00 0.00 O ATOM 2824 O2P G B 132 70.064 -58.303 -33.934 1.00 0.00 O ATOM 2825 O5* G B 132 69.720 -56.006 -34.915 1.00 0.00 O ATOM 2826 C5* G B 132 69.015 -54.756 -35.018 1.00 0.00 C ATOM 2827 C4* G B 132 69.807 -53.784 -35.870 1.00 0.00 C ATOM 2828 O4* G B 132 71.026 -53.418 -35.161 1.00 0.00 O ATOM 2829 C3* G B 132 70.309 -54.327 -37.209 1.00 0.00 C ATOM 2830 O3* G B 132 69.332 -54.237 -38.196 1.00 0.00 O ATOM 2831 C2* G B 132 71.515 -53.431 -37.486 1.00 0.00 C ATOM 2832 O2* G B 132 71.095 -52.153 -37.935 1.00 0.00 O ATOM 2833 C1* G B 132 72.085 -53.245 -36.086 1.00 0.00 C ATOM 2834 N9 G B 132 73.161 -54.218 -35.741 1.00 0.00 N ATOM 2835 C8 G B 132 73.110 -55.309 -34.905 1.00 0.00 C ATOM 2836 N7 G B 132 74.241 -55.968 -34.819 1.00 0.00 N ATOM 2837 C5 G B 132 75.101 -55.264 -35.660 1.00 0.00 C ATOM 2838 C6 G B 132 76.462 -55.497 -35.978 1.00 0.00 C ATOM 2839 O6 G B 132 77.206 -56.389 -35.577 1.00 0.00 O ATOM 2840 N1 G B 132 76.951 -54.537 -36.876 1.00 0.00 N ATOM 2841 C2 G B 132 76.219 -53.488 -37.398 1.00 0.00 C ATOM 2842 N2 G B 132 76.868 -52.681 -38.240 1.00 0.00 N ATOM 2843 N3 G B 132 74.939 -53.271 -37.099 1.00 0.00 N ATOM 2844 C4 G B 132 74.452 -54.192 -36.227 1.00 0.00 C ATOM 2845 P U B 133 69.269 -55.394 -39.347 1.00 0.00 P ATOM 2846 O1P U B 133 67.975 -55.334 -40.064 1.00 0.00 O ATOM 2847 O2P U B 133 69.612 -56.704 -38.747 1.00 0.00 O ATOM 2848 O5* U B 133 70.449 -54.918 -40.318 1.00 0.00 O ATOM 2849 C5* U B 133 70.363 -53.624 -40.941 1.00 0.00 C ATOM 2850 C4* U B 133 71.635 -53.330 -41.707 1.00 0.00 C ATOM 2851 O4* U B 133 72.730 -53.167 -40.760 1.00 0.00 O ATOM 2852 C3* U B 133 72.120 -54.440 -42.643 1.00 0.00 C ATOM 2853 O3* U B 133 71.482 -54.378 -43.882 1.00 0.00 O ATOM 2854 C2* U B 133 73.615 -54.148 -42.737 1.00 0.00 C ATOM 2855 O2* U B 133 73.863 -53.045 -43.591 1.00 0.00 O ATOM 2856 C1* U B 133 73.927 -53.686 -41.316 1.00 0.00 C ATOM 2857 N1 U B 133 74.411 -54.778 -40.425 1.00 0.00 N ATOM 2858 C2 U B 133 75.697 -55.221 -40.623 1.00 0.00 C ATOM 2859 O2 U B 133 76.433 -54.766 -41.480 1.00 0.00 O ATOM 2860 N3 U B 133 76.111 -56.234 -39.779 1.00 0.00 N ATOM 2861 C4 U B 133 75.365 -56.823 -38.778 1.00 0.00 C ATOM 2862 O4 U B 133 75.844 -57.723 -38.085 1.00 0.00 O ATOM 2863 C5 U B 133 74.029 -56.291 -38.648 1.00 0.00 C ATOM 2864 C6 U B 133 73.600 -55.306 -39.456 1.00 0.00 C ATOM 2865 P G B 134 71.172 -55.774 -44.673 1.00 0.00 P ATOM 2866 O1P G B 134 70.189 -55.538 -45.753 1.00 0.00 O ATOM 2867 O2P G B 134 70.816 -56.825 -43.696 1.00 0.00 O ATOM 2868 O5* G B 134 72.610 -56.084 -45.307 1.00 0.00 O ATOM 2869 C5* G B 134 73.192 -55.137 -46.219 1.00 0.00 C ATOM 2870 C4* G B 134 74.594 -55.569 -46.595 1.00 0.00 C ATOM 2871 O4* G B 134 75.447 -55.460 -45.419 1.00 0.00 O ATOM 2872 C3* G B 134 74.748 -57.028 -47.027 1.00 0.00 C ATOM 2873 O3* G B 134 74.446 -57.194 -48.375 1.00 0.00 O ATOM 2874 C2* G B 134 76.217 -57.302 -46.711 1.00 0.00 C ATOM 2875 O2* G B 134 77.060 -56.713 -47.688 1.00 0.00 O ATOM 2876 C1* G B 134 76.407 -56.506 -45.421 1.00 0.00 C ATOM 2877 N9 G B 134 76.211 -57.315 -44.186 1.00 0.00 N ATOM 2878 C8 G B 134 75.153 -57.309 -43.300 1.00 0.00 C ATOM 2879 N7 G B 134 75.291 -58.149 -42.304 1.00 0.00 N ATOM 2880 C5 G B 134 76.523 -58.751 -42.545 1.00 0.00 C ATOM 2881 C6 G B 134 77.214 -59.746 -41.805 1.00 0.00 C ATOM 2882 O6 G B 134 76.871 -60.311 -40.768 1.00 0.00 O ATOM 2883 N1 G B 134 78.438 -60.072 -42.403 1.00 0.00 N ATOM 2884 C2 G B 134 78.932 -59.511 -43.565 1.00 0.00 C ATOM 2885 N2 G B 134 80.121 -59.957 -43.973 1.00 0.00 N ATOM 2886 N3 G B 134 78.282 -58.578 -44.259 1.00 0.00 N ATOM 2887 C4 G B 134 77.092 -58.248 -43.690 1.00 0.00 C ATOM 2888 P U B 135 73.750 -58.589 -48.862 1.00 0.00 P ATOM 2889 O1P U B 135 73.185 -58.435 -50.219 1.00 0.00 O ATOM 2890 O2P U B 135 72.806 -59.053 -47.820 1.00 0.00 O ATOM 2891 O5* U B 135 75.023 -59.558 -48.910 1.00 0.00 O ATOM 2892 C5* U B 135 76.109 -59.238 -49.797 1.00 0.00 C ATOM 2893 C4* U B 135 77.252 -60.213 -49.590 1.00 0.00 C ATOM 2894 O4* U B 135 77.829 -59.992 -48.270 1.00 0.00 O ATOM 2895 C3* U B 135 76.870 -61.693 -49.584 1.00 0.00 C ATOM 2896 O3* U B 135 76.801 -62.211 -50.875 1.00 0.00 O ATOM 2897 C2* U B 135 78.000 -62.311 -48.759 1.00 0.00 C ATOM 2898 O2* U B 135 79.185 -62.414 -49.533 1.00 0.00 O ATOM 2899 C1* U B 135 78.246 -61.228 -47.714 1.00 0.00 C ATOM 2900 N1 U B 135 77.495 -61.441 -46.447 1.00 0.00 N ATOM 2901 C2 U B 135 77.951 -62.432 -45.608 1.00 0.00 C ATOM 2902 O2 U B 135 78.921 -63.123 -45.863 1.00 0.00 O ATOM 2903 N3 U B 135 77.230 -62.601 -44.442 1.00 0.00 N ATOM 2904 C4 U B 135 76.119 -61.878 -44.054 1.00 0.00 C ATOM 2905 O4 U B 135 75.556 -62.120 -42.985 1.00 0.00 O ATOM 2906 C5 U B 135 75.718 -60.860 -44.999 1.00 0.00 C ATOM 2907 C6 U B 135 76.401 -60.677 -46.140 1.00 0.00 C ATOM 2908 P G B 136 75.696 -63.369 -51.198 1.00 0.00 P ATOM 2909 O1P G B 136 75.522 -63.522 -52.660 1.00 0.00 O ATOM 2910 O2P G B 136 74.460 -63.104 -50.428 1.00 0.00 O ATOM 2911 O5* G B 136 76.436 -64.662 -50.603 1.00 0.00 O ATOM 2912 C5* G B 136 77.709 -65.049 -51.150 1.00 0.00 C ATOM 2913 C4* G B 136 78.279 -66.212 -50.364 1.00 0.00 C ATOM 2914 O4* G B 136 78.624 -65.749 -49.026 1.00 0.00 O ATOM 2915 C3* G B 136 77.325 -67.379 -50.115 1.00 0.00 C ATOM 2916 O3* G B 136 77.302 -68.261 -51.195 1.00 0.00 O ATOM 2917 C2* G B 136 77.912 -68.010 -48.854 1.00 0.00 C ATOM 2918 O2* G B 136 79.076 -68.763 -49.164 1.00 0.00 O ATOM 2919 C1* G B 136 78.374 -66.779 -48.081 1.00 0.00 C ATOM 2920 N9 G B 136 77.372 -66.275 -47.103 1.00 0.00 N ATOM 2921 C8 G B 136 76.566 -65.161 -47.179 1.00 0.00 C ATOM 2922 N7 G B 136 75.783 -64.995 -46.140 1.00 0.00 N ATOM 2923 C5 G B 136 76.093 -66.077 -45.318 1.00 0.00 C ATOM 2924 C6 G B 136 75.570 -66.441 -44.050 1.00 0.00 C ATOM 2925 O6 G B 136 74.710 -65.873 -43.381 1.00 0.00 O ATOM 2926 N1 G B 136 76.164 -67.614 -43.568 1.00 0.00 N ATOM 2927 C2 G B 136 77.138 -68.343 -44.226 1.00 0.00 C ATOM 2928 N2 G B 136 77.577 -69.434 -43.596 1.00 0.00 N ATOM 2929 N3 G B 136 77.627 -68.003 -45.413 1.00 0.00 N ATOM 2930 C4 G B 136 77.061 -66.864 -45.896 1.00 0.00 C ATOM 2931 P U B 137 75.904 -69.023 -51.555 1.00 0.00 P ATOM 2932 O1P U B 137 75.976 -69.608 -52.915 1.00 0.00 O ATOM 2933 O2P U B 137 74.766 -68.112 -51.305 1.00 0.00 O ATOM 2934 O5* U B 137 75.911 -70.192 -50.462 1.00 0.00 O ATOM 2935 C5* U B 137 76.990 -71.147 -50.468 1.00 0.00 C ATOM 2936 C4* U B 137 76.861 -72.081 -49.281 1.00 0.00 C ATOM 2937 O4* U B 137 77.096 -71.324 -48.059 1.00 0.00 O ATOM 2938 C3* U B 137 75.481 -72.703 -49.069 1.00 0.00 C ATOM 2939 O3* U B 137 75.308 -73.840 -49.852 1.00 0.00 O ATOM 2940 C2* U B 137 75.495 -73.010 -47.573 1.00 0.00 C ATOM 2941 O2* U B 137 76.277 -74.165 -47.306 1.00 0.00 O ATOM 2942 C1* U B 137 76.265 -71.816 -47.020 1.00 0.00 C ATOM 2943 N1 U B 137 75.389 -70.700 -46.564 1.00 0.00 N ATOM 2944 C2 U B 137 74.709 -70.880 -45.384 1.00 0.00 C ATOM 2945 O2 U B 137 74.799 -71.898 -44.715 1.00 0.00 O ATOM 2946 N3 U B 137 73.908 -69.827 -44.993 1.00 0.00 N ATOM 2947 C4 U B 137 73.734 -68.638 -45.670 1.00 0.00 C ATOM 2948 O4 U B 137 72.987 -67.763 -45.220 1.00 0.00 O ATOM 2949 C5 U B 137 74.487 -68.539 -46.898 1.00 0.00 C ATOM 2950 C6 U B 137 75.274 -69.550 -47.300 1.00 0.00 C ATOM 2951 P U B 138 74.516 -73.537 -51.471 1.00 0.00 P ATOM 2952 O1P U B 138 73.555 -74.621 -51.777 1.00 0.00 O ATOM 2953 O2P U B 138 75.482 -73.211 -52.541 1.00 0.00 O ATOM 2954 O5* U B 138 73.670 -72.058 -50.828 1.00 0.00 O ATOM 2955 C5* U B 138 72.392 -72.158 -50.189 1.00 0.00 C ATOM 2956 C4* U B 138 71.800 -70.786 -49.551 1.00 0.00 C ATOM 2957 O4* U B 138 72.587 -69.797 -48.822 1.00 0.00 O ATOM 2958 C3* U B 138 70.374 -70.562 -49.049 1.00 0.00 C ATOM 2959 O3* U B 138 69.286 -71.570 -49.371 1.00 0.00 O ATOM 2960 C2* U B 138 70.605 -70.202 -47.582 1.00 0.00 C ATOM 2961 O2* U B 138 70.898 -71.364 -46.822 1.00 0.00 O ATOM 2962 C1* U B 138 71.888 -69.385 -47.662 1.00 0.00 C ATOM 2963 N1 U B 138 71.651 -67.691 -47.748 1.00 0.00 N ATOM 2964 C2 U B 138 70.704 -67.147 -46.908 1.00 0.00 C ATOM 2965 O2 U B 138 69.955 -67.833 -46.233 1.00 0.00 O ATOM 2966 N3 U B 138 70.652 -65.769 -46.878 1.00 0.00 N ATOM 2967 C4 U B 138 71.448 -64.905 -47.600 1.00 0.00 C ATOM 2968 O4 U B 138 71.308 -63.684 -47.491 1.00 0.00 O ATOM 2969 C5 U B 138 72.412 -65.561 -48.452 1.00 0.00 C ATOM 2970 C6 U B 138 72.483 -66.903 -48.500 1.00 0.00 C ATOM 2971 P U B 139 67.847 -70.665 -50.020 1.00 0.00 P ATOM 2972 O1P U B 139 66.546 -71.249 -49.630 1.00 0.00 O ATOM 2973 O2P U B 139 68.019 -70.379 -51.463 1.00 0.00 O ATOM 2974 O5* U B 139 68.302 -69.258 -48.972 1.00 0.00 O ATOM 2975 C5* U B 139 68.896 -67.972 -48.590 1.00 0.00 C ATOM 2976 C4* U B 139 68.662 -66.703 -49.624 1.00 0.00 C ATOM 2977 O4* U B 139 68.652 -67.232 -50.985 1.00 0.00 O ATOM 2978 C3* U B 139 67.347 -65.927 -49.521 1.00 0.00 C ATOM 2979 O3* U B 139 66.266 -65.926 -48.436 1.00 0.00 O ATOM 2980 C2* U B 139 67.211 -65.341 -50.928 1.00 0.00 C ATOM 2981 O2* U B 139 68.082 -64.239 -51.103 1.00 0.00 O ATOM 2982 C1* U B 139 67.756 -66.477 -51.788 1.00 0.00 C ATOM 2983 N1 U B 139 66.586 -67.519 -52.395 1.00 0.00 N ATOM 2984 C2 U B 139 66.973 -68.374 -53.401 1.00 0.00 C ATOM 2985 O2 U B 139 68.072 -68.322 -53.929 1.00 0.00 O ATOM 2986 N3 U B 139 66.029 -69.304 -53.791 1.00 0.00 N ATOM 2987 C4 U B 139 64.759 -69.450 -53.266 1.00 0.00 C ATOM 2988 O4 U B 139 64.003 -70.320 -53.691 1.00 0.00 O ATOM 2989 C5 U B 139 64.445 -68.509 -52.216 1.00 0.00 C ATOM 2990 C6 U B 139 65.351 -67.593 -51.819 1.00 0.00 C ATOM 2991 P C B 140 65.512 -67.489 -47.844 1.00 0.00 P ATOM 2992 O1P C B 140 66.492 -68.484 -47.356 1.00 0.00 O ATOM 2993 O2P C B 140 64.500 -67.993 -48.805 1.00 0.00 O ATOM 2994 O5* C B 140 64.767 -66.627 -46.421 1.00 0.00 O ATOM 2995 C5* C B 140 65.245 -66.381 -45.062 1.00 0.00 C ATOM 2996 C4* C B 140 64.466 -67.072 -43.791 1.00 0.00 C ATOM 2997 O4* C B 140 63.315 -67.922 -44.059 1.00 0.00 O ATOM 2998 C3* C B 140 65.181 -67.777 -42.636 1.00 0.00 C ATOM 2999 O3* C B 140 65.992 -66.718 -41.739 1.00 0.00 O ATOM 3000 C2* C B 140 64.011 -68.329 -41.824 1.00 0.00 C ATOM 3001 O2* C B 140 63.390 -67.299 -41.078 1.00 0.00 O ATOM 3002 C1* C B 140 63.039 -68.730 -42.926 1.00 0.00 C ATOM 3003 N1 C B 140 63.133 -70.368 -43.398 1.00 0.00 N ATOM 3004 C2 C B 140 62.385 -71.294 -42.678 1.00 0.00 C ATOM 3005 O2 C B 140 61.730 -70.905 -41.705 1.00 0.00 O ATOM 3006 N3 C B 140 62.398 -72.594 -43.076 1.00 0.00 N ATOM 3007 C4 C B 140 63.115 -72.974 -44.139 1.00 0.00 C ATOM 3008 N4 C B 140 63.099 -74.253 -44.484 1.00 0.00 N ATOM 3009 C5 C B 140 63.893 -72.035 -44.895 1.00 0.00 C ATOM 3010 C6 C B 140 63.864 -70.746 -44.478 1.00 0.00 C ATOM 3011 P G B 141 67.644 -65.901 -41.894 1.00 0.00 P ATOM 3012 O1P G B 141 67.515 -64.455 -42.188 1.00 0.00 O ATOM 3013 O2P G B 141 68.601 -66.643 -42.739 1.00 0.00 O ATOM 3014 O5* G B 141 68.099 -66.110 -40.125 1.00 0.00 O ATOM 3015 C5* G B 141 68.028 -66.426 -38.727 1.00 0.00 C ATOM 3016 C4* G B 141 66.674 -67.287 -38.475 1.00 0.00 C ATOM 3017 O4* G B 141 66.191 -67.800 -39.746 1.00 0.00 O ATOM 3018 C3* G B 141 66.405 -68.429 -37.490 1.00 0.00 C ATOM 3019 O3* G B 141 66.480 -68.437 -35.983 1.00 0.00 O ATOM 3020 C2* G B 141 65.089 -68.993 -38.011 1.00 0.00 C ATOM 3021 O2* G B 141 64.000 -68.154 -37.647 1.00 0.00 O ATOM 3022 C1* G B 141 65.269 -68.857 -39.519 1.00 0.00 C ATOM 3023 N9 G B 141 65.858 -70.258 -40.294 1.00 0.00 N ATOM 3024 C8 G B 141 65.756 -71.580 -39.905 1.00 0.00 C ATOM 3025 N7 G B 141 66.435 -72.412 -40.652 1.00 0.00 N ATOM 3026 C5 G B 141 67.033 -71.587 -41.607 1.00 0.00 C ATOM 3027 C6 G B 141 67.894 -71.917 -42.683 1.00 0.00 C ATOM 3028 O6 G B 141 68.310 -73.020 -43.029 1.00 0.00 O ATOM 3029 N1 G B 141 68.277 -70.777 -43.399 1.00 0.00 N ATOM 3030 C2 G B 141 67.880 -69.486 -43.114 1.00 0.00 C ATOM 3031 N2 G B 141 68.356 -68.531 -43.916 1.00 0.00 N ATOM 3032 N3 G B 141 67.076 -69.176 -42.098 1.00 0.00 N ATOM 3033 C4 G B 141 66.690 -70.275 -41.395 1.00 0.00 C ATOM 3034 P A B 142 67.963 -67.562 -35.447 1.00 0.00 P ATOM 3035 O1P A B 142 68.022 -67.258 -34.001 1.00 0.00 O ATOM 3036 O2P A B 142 68.144 -66.410 -36.354 1.00 0.00 O ATOM 3037 O5* A B 142 69.025 -68.706 -35.802 1.00 0.00 O ATOM 3038 C5* A B 142 68.969 -69.955 -35.095 1.00 0.00 C ATOM 3039 C4* A B 142 69.979 -70.926 -35.675 1.00 0.00 C ATOM 3040 O4* A B 142 69.564 -71.291 -37.022 1.00 0.00 O ATOM 3041 C3* A B 142 71.395 -70.381 -35.860 1.00 0.00 C ATOM 3042 O3* A B 142 72.140 -70.473 -34.685 1.00 0.00 O ATOM 3043 C2* A B 142 71.938 -71.278 -36.972 1.00 0.00 C ATOM 3044 O2* A B 142 72.285 -72.554 -36.464 1.00 0.00 O ATOM 3045 C1* A B 142 70.704 -71.464 -37.846 1.00 0.00 C ATOM 3046 N9 A B 142 70.613 -70.490 -38.970 1.00 0.00 N ATOM 3047 C8 A B 142 69.782 -69.399 -39.105 1.00 0.00 C ATOM 3048 N7 A B 142 69.951 -68.745 -40.212 1.00 0.00 N ATOM 3049 C5 A B 142 70.960 -69.440 -40.864 1.00 0.00 C ATOM 3050 C6 A B 142 71.599 -69.245 -42.100 1.00 0.00 C ATOM 3051 N6 A B 142 71.298 -68.241 -42.938 1.00 0.00 N ATOM 3052 N1 A B 142 72.559 -70.122 -42.444 1.00 0.00 N ATOM 3053 C2 A B 142 72.853 -71.115 -41.605 1.00 0.00 C ATOM 3054 N3 A B 142 72.327 -71.394 -40.433 1.00 0.00 N ATOM 3055 C4 A B 142 71.368 -70.501 -40.112 1.00 0.00 C ATOM 3056 P C B 143 73.242 -69.314 -34.363 1.00 0.00 P ATOM 3057 O1P C B 143 73.651 -69.377 -32.942 1.00 0.00 O ATOM 3058 O2P C B 143 72.735 -68.005 -34.830 1.00 0.00 O ATOM 3059 O5* C B 143 74.454 -69.788 -35.294 1.00 0.00 O ATOM 3060 C5* C B 143 75.042 -71.082 -35.070 1.00 0.00 C ATOM 3061 C4* C B 143 76.079 -71.373 -36.138 1.00 0.00 C ATOM 3062 O4* C B 143 75.405 -71.535 -37.418 1.00 0.00 O ATOM 3063 C3* C B 143 77.097 -70.262 -36.395 1.00 0.00 C ATOM 3064 O3* C B 143 78.161 -70.324 -35.496 1.00 0.00 O ATOM 3065 C2* C B 143 77.527 -70.554 -37.833 1.00 0.00 C ATOM 3066 O2* C B 143 78.417 -71.654 -37.879 1.00 0.00 O ATOM 3067 C1* C B 143 76.214 -71.014 -38.458 1.00 0.00 C ATOM 3068 N1 C B 143 75.456 -69.924 -39.129 1.00 0.00 N ATOM 3069 C2 C B 143 75.931 -69.458 -40.356 1.00 0.00 C ATOM 3070 O2 C B 143 76.953 -69.968 -40.828 1.00 0.00 O ATOM 3071 N3 C B 143 75.251 -68.465 -40.984 1.00 0.00 N ATOM 3072 C4 C B 143 74.148 -67.942 -40.435 1.00 0.00 C ATOM 3073 N4 C B 143 73.523 -66.973 -41.089 1.00 0.00 N ATOM 3074 C5 C B 143 73.642 -68.406 -39.179 1.00 0.00 C ATOM 3075 C6 C B 143 74.335 -69.397 -38.567 1.00 0.00 C ATOM 3076 P A B 144 78.860 -68.926 -35.013 1.00 0.00 P ATOM 3077 O1P A B 144 79.693 -69.160 -33.811 1.00 0.00 O ATOM 3078 O2P A B 144 77.826 -67.876 -34.886 1.00 0.00 O ATOM 3079 O5* A B 144 79.800 -68.614 -36.271 1.00 0.00 O ATOM 3080 C5* A B 144 80.824 -69.561 -36.630 1.00 0.00 C ATOM 3081 C4* A B 144 81.504 -69.127 -37.912 1.00 0.00 C ATOM 3082 O4* A B 144 80.554 -69.235 -39.011 1.00 0.00 O ATOM 3083 C3* A B 144 81.959 -67.667 -37.963 1.00 0.00 C ATOM 3084 O3* A B 144 83.206 -67.501 -37.368 1.00 0.00 O ATOM 3085 C2* A B 144 81.982 -67.391 -39.466 1.00 0.00 C ATOM 3086 O2* A B 144 83.124 -67.978 -40.067 1.00 0.00 O ATOM 3087 C1* A B 144 80.773 -68.187 -39.944 1.00 0.00 C ATOM 3088 N9 A B 144 79.522 -67.382 -40.030 1.00 0.00 N ATOM 3089 C8 A B 144 78.424 -67.391 -39.199 1.00 0.00 C ATOM 3090 N7 A B 144 77.490 -66.563 -39.551 1.00 0.00 N ATOM 3091 C5 A B 144 77.995 -65.956 -40.694 1.00 0.00 C ATOM 3092 C6 A B 144 77.475 -64.972 -41.550 1.00 0.00 C ATOM 3093 N6 A B 144 76.273 -64.400 -41.377 1.00 0.00 N ATOM 3094 N1 A B 144 78.234 -64.595 -42.594 1.00 0.00 N ATOM 3095 C2 A B 144 79.427 -65.167 -42.760 1.00 0.00 C ATOM 3096 N3 A B 144 80.012 -66.090 -42.029 1.00 0.00 N ATOM 3097 C4 A B 144 79.231 -66.449 -40.991 1.00 0.00 C ATOM 3098 P C B 145 83.518 -66.105 -36.578 1.00 0.00 P ATOM 3099 O1P C B 145 84.715 -66.258 -35.721 1.00 0.00 O ATOM 3100 O2P C B 145 82.290 -65.642 -35.894 1.00 0.00 O ATOM 3101 O5* C B 145 83.854 -65.132 -37.804 1.00 0.00 O ATOM 3102 C5* C B 145 84.963 -65.452 -38.664 1.00 0.00 C ATOM 3103 C4* C B 145 85.019 -64.477 -39.824 1.00 0.00 C ATOM 3104 O4* C B 145 83.861 -64.696 -40.681 1.00 0.00 O ATOM 3105 C3* C B 145 84.923 -62.996 -39.452 1.00 0.00 C ATOM 3106 O3* C B 145 86.166 -62.477 -39.091 1.00 0.00 O ATOM 3107 C2* C B 145 84.377 -62.378 -40.737 1.00 0.00 C ATOM 3108 O2* C B 145 85.398 -62.272 -41.716 1.00 0.00 O ATOM 3109 C1* C B 145 83.415 -63.460 -41.215 1.00 0.00 C ATOM 3110 N1 C B 145 82.007 -63.249 -40.769 1.00 0.00 N ATOM 3111 C2 C B 145 81.272 -62.250 -41.396 1.00 0.00 C ATOM 3112 O2 C B 145 81.809 -61.584 -42.290 1.00 0.00 O ATOM 3113 N3 C B 145 79.988 -62.042 -41.006 1.00 0.00 N ATOM 3114 C4 C B 145 79.442 -62.784 -40.033 1.00 0.00 C ATOM 3115 N4 C B 145 78.185 -62.542 -39.689 1.00 0.00 N ATOM 3116 C5 C B 145 80.183 -63.818 -39.374 1.00 0.00 C ATOM 3117 C6 C B 145 81.464 -64.010 -39.779 1.00 0.00 C ATOM 3118 P A B 146 86.227 -61.318 -37.942 1.00 0.00 P ATOM 3119 O1P A B 146 87.615 -61.168 -37.445 1.00 0.00 O ATOM 3120 O2P A B 146 85.200 -61.590 -36.914 1.00 0.00 O ATOM 3121 O5* A B 146 85.817 -60.028 -38.794 1.00 0.00 O ATOM 3122 C5* A B 146 86.637 -59.637 -39.912 1.00 0.00 C ATOM 3123 C4* A B 146 85.997 -58.475 -40.645 1.00 0.00 C ATOM 3124 O4* A B 146 84.772 -58.939 -41.283 1.00 0.00 O ATOM 3125 C3* A B 146 85.536 -57.308 -39.770 1.00 0.00 C ATOM 3126 O3* A B 146 86.584 -56.428 -39.502 1.00 0.00 O ATOM 3127 C2* A B 146 84.442 -56.679 -40.628 1.00 0.00 C ATOM 3128 O2* A B 146 85.001 -55.925 -41.689 1.00 0.00 O ATOM 3129 C1* A B 146 83.794 -57.910 -41.251 1.00 0.00 C ATOM 3130 N9 A B 146 82.616 -58.417 -40.495 1.00 0.00 N ATOM 3131 C8 A B 146 82.513 -59.532 -39.693 1.00 0.00 C ATOM 3132 N7 A B 146 81.337 -59.697 -39.171 1.00 0.00 N ATOM 3133 C5 A B 146 80.602 -58.624 -39.650 1.00 0.00 C ATOM 3134 C6 A B 146 79.269 -58.228 -39.458 1.00 0.00 C ATOM 3135 N6 A B 146 78.400 -58.904 -38.695 1.00 0.00 N ATOM 3136 N1 A B 146 78.858 -57.109 -40.084 1.00 0.00 N ATOM 3137 C2 A B 146 79.726 -56.444 -40.842 1.00 0.00 C ATOM 3138 N3 A B 146 80.989 -56.715 -41.094 1.00 0.00 N ATOM 3139 C4 A B 146 81.374 -57.838 -40.458 1.00 0.00 C ATOM 3140 P C B 147 86.618 -55.666 -38.059 1.00 0.00 P ATOM 3141 O1P C B 147 87.959 -55.080 -37.823 1.00 0.00 O ATOM 3142 O2P C B 147 86.120 -56.581 -37.008 1.00 0.00 O ATOM 3143 O5* C B 147 85.556 -54.498 -38.310 1.00 0.00 O ATOM 3144 C5* C B 147 85.803 -53.544 -39.361 1.00 0.00 C ATOM 3145 C4* C B 147 84.617 -52.610 -39.503 1.00 0.00 C ATOM 3146 O4* C B 147 83.478 -53.367 -40.009 1.00 0.00 O ATOM 3147 C3* C B 147 84.098 -51.990 -38.205 1.00 0.00 C ATOM 3148 O3* C B 147 84.819 -50.850 -37.860 1.00 0.00 O ATOM 3149 C2* C B 147 82.643 -51.681 -38.556 1.00 0.00 C ATOM 3150 O2* C B 147 82.557 -50.527 -39.375 1.00 0.00 O ATOM 3151 C1* C B 147 82.279 -52.876 -39.432 1.00 0.00 C ATOM 3152 N1 C B 147 81.639 -53.993 -38.682 1.00 0.00 N ATOM 3153 C2 C B 147 80.317 -53.829 -38.276 1.00 0.00 C ATOM 3154 O2 C B 147 79.737 -52.772 -38.548 1.00 0.00 O ATOM 3155 N3 C B 147 79.717 -54.834 -37.589 1.00 0.00 N ATOM 3156 C4 C B 147 80.379 -55.965 -37.311 1.00 0.00 C ATOM 3157 N4 C B 147 79.748 -56.916 -36.641 1.00 0.00 N ATOM 3158 C5 C B 147 81.738 -56.154 -37.724 1.00 0.00 C ATOM 3159 C6 C B 147 82.320 -55.137 -38.405 1.00 0.00 C ATOM 3160 P U B 148 85.054 -50.519 -36.278 1.00 0.00 P ATOM 3161 O1P U B 148 86.124 -49.509 -36.119 1.00 0.00 O ATOM 3162 O2P U B 148 85.246 -51.784 -35.534 1.00 0.00 O ATOM 3163 O5* U B 148 83.641 -49.873 -35.893 1.00 0.00 O ATOM 3164 C5* U B 148 83.212 -48.679 -36.571 1.00 0.00 C ATOM 3165 C4* U B 148 81.803 -48.316 -36.143 1.00 0.00 C ATOM 3166 O4* U B 148 80.885 -49.328 -36.647 1.00 0.00 O ATOM 3167 C3* U B 148 81.547 -48.303 -34.635 1.00 0.00 C ATOM 3168 O3* U B 148 81.920 -47.089 -34.061 1.00 0.00 O ATOM 3169 C2* U B 148 80.043 -48.549 -34.564 1.00 0.00 C ATOM 3170 O2* U B 148 79.323 -47.374 -34.900 1.00 0.00 O ATOM 3171 C1* U B 148 79.837 -49.535 -35.713 1.00 0.00 C ATOM 3172 N1 U B 148 79.875 -50.966 -35.289 1.00 0.00 N ATOM 3173 C2 U B 148 78.783 -51.443 -34.608 1.00 0.00 C ATOM 3174 O2 U B 148 77.811 -50.755 -34.346 1.00 0.00 O ATOM 3175 N3 U B 148 78.854 -52.770 -34.230 1.00 0.00 N ATOM 3176 C4 U B 148 79.902 -53.634 -34.474 1.00 0.00 C ATOM 3177 O4 U B 148 79.852 -54.804 -34.085 1.00 0.00 O ATOM 3178 C5 U B 148 81.002 -53.042 -35.192 1.00 0.00 C ATOM 3179 C6 U B 148 80.958 -51.752 -35.571 1.00 0.00 C ATOM 3180 P A B 149 82.123 -45.579 -35.171 1.00 0.00 P ATOM 3181 O1P A B 149 83.202 -44.704 -34.663 1.00 0.00 O ATOM 3182 O2P A B 149 80.786 -44.950 -35.290 1.00 0.00 O ATOM 3183 O5* A B 149 82.684 -46.256 -36.819 1.00 0.00 O ATOM 3184 C5* A B 149 83.415 -46.340 -38.121 1.00 0.00 C ATOM 3185 C4* A B 149 82.817 -47.268 -39.372 1.00 0.00 C ATOM 3186 O4* A B 149 81.511 -47.796 -38.997 1.00 0.00 O ATOM 3187 C3* A B 149 82.635 -46.840 -40.830 1.00 0.00 C ATOM 3188 O3* A B 149 83.992 -46.599 -41.613 1.00 0.00 O ATOM 3189 C2* A B 149 81.690 -47.916 -41.362 1.00 0.00 C ATOM 3190 O2* A B 149 82.390 -49.128 -41.592 1.00 0.00 O ATOM 3191 C1* A B 149 80.783 -48.153 -40.161 1.00 0.00 C ATOM 3192 N9 A B 149 79.343 -47.267 -40.179 1.00 0.00 N ATOM 3193 C8 A B 149 78.737 -46.598 -39.137 1.00 0.00 C ATOM 3194 N7 A B 149 77.543 -46.167 -39.414 1.00 0.00 N ATOM 3195 C5 A B 149 77.330 -46.576 -40.717 1.00 0.00 C ATOM 3196 C6 A B 149 76.246 -46.425 -41.596 1.00 0.00 C ATOM 3197 N6 A B 149 75.111 -45.787 -41.262 1.00 0.00 N ATOM 3198 N1 A B 149 76.366 -46.948 -42.827 1.00 0.00 N ATOM 3199 C2 A B 149 77.491 -47.578 -43.152 1.00 0.00 C ATOM 3200 N3 A B 149 78.569 -47.782 -42.425 1.00 0.00 N ATOM 3201 C4 A B 149 78.422 -47.245 -41.195 1.00 0.00 C ATOM 3202 P U B 150 84.675 -47.119 -43.281 1.00 0.00 P ATOM 3203 O1P U B 150 84.415 -48.501 -43.749 1.00 0.00 O ATOM 3204 O2P U B 150 86.098 -46.717 -43.228 1.00 0.00 O ATOM 3205 O5* U B 150 83.851 -46.082 -44.178 1.00 0.00 O ATOM 3206 C5* U B 150 82.840 -46.581 -45.072 1.00 0.00 C ATOM 3207 C4* U B 150 82.105 -45.426 -45.724 1.00 0.00 C ATOM 3208 O4* U B 150 82.966 -44.250 -45.702 1.00 0.00 O ATOM 3209 C3* U B 150 81.762 -45.604 -47.200 1.00 0.00 C ATOM 3210 O3* U B 150 80.574 -46.315 -47.367 1.00 0.00 O ATOM 3211 C2* U B 150 81.655 -44.159 -47.682 1.00 0.00 C ATOM 3212 O2* U B 150 80.430 -43.580 -47.260 1.00 0.00 O ATOM 3213 C1* U B 150 82.763 -43.486 -46.880 1.00 0.00 C ATOM 3214 N1 U B 150 84.061 -43.406 -47.604 1.00 0.00 N ATOM 3215 C2 U B 150 84.159 -42.482 -48.619 1.00 0.00 C ATOM 3216 O2 U B 150 83.239 -41.746 -48.933 1.00 0.00 O ATOM 3217 N3 U B 150 85.377 -42.438 -49.267 1.00 0.00 N ATOM 3218 C4 U B 150 86.480 -43.221 -48.996 1.00 0.00 C ATOM 3219 O4 U B 150 87.519 -43.090 -49.644 1.00 0.00 O ATOM 3220 C5 U B 150 86.281 -44.161 -47.917 1.00 0.00 C ATOM 3221 C6 U B 150 85.108 -44.227 -47.270 1.00 0.00 C ATOM 3222 P C B 151 80.426 -47.304 -48.659 1.00 0.00 P ATOM 3223 O1P C B 151 79.286 -48.227 -48.468 1.00 0.00 O ATOM 3224 O2P C B 151 81.731 -47.947 -48.939 1.00 0.00 O ATOM 3225 O5* C B 151 80.082 -46.248 -49.810 1.00 0.00 O ATOM 3226 C5* C B 151 78.895 -45.446 -49.687 1.00 0.00 C ATOM 3227 C4* C B 151 78.832 -44.435 -50.814 1.00 0.00 C ATOM 3228 O4* C B 151 79.907 -43.465 -50.637 1.00 0.00 O ATOM 3229 C3* C B 151 79.066 -44.990 -52.220 1.00 0.00 C ATOM 3230 O3* C B 151 77.896 -45.514 -52.762 1.00 0.00 O ATOM 3231 C2* C B 151 79.567 -43.756 -52.970 1.00 0.00 C ATOM 3232 O2* C B 151 78.493 -42.884 -53.277 1.00 0.00 O ATOM 3233 C1* C B 151 80.408 -43.065 -51.902 1.00 0.00 C ATOM 3234 N1 C B 151 81.856 -43.421 -51.957 1.00 0.00 N ATOM 3235 C2 C B 151 82.622 -42.875 -52.983 1.00 0.00 C ATOM 3236 O2 C B 151 82.075 -42.123 -53.797 1.00 0.00 O ATOM 3237 N3 C B 151 83.938 -43.187 -53.049 1.00 0.00 N ATOM 3238 C4 C B 151 84.495 -44.006 -52.142 1.00 0.00 C ATOM 3239 N4 C B 151 85.785 -44.277 -52.253 1.00 0.00 N ATOM 3240 C5 C B 151 83.724 -44.580 -51.082 1.00 0.00 C ATOM 3241 C6 C B 151 82.407 -44.255 -51.034 1.00 0.00 C ATOM 3242 P A B 152 78.004 -46.806 -53.756 1.00 0.00 P ATOM 3243 O1P A B 152 76.671 -47.428 -53.931 1.00 0.00 O ATOM 3244 O2P A B 152 79.077 -47.705 -53.279 1.00 0.00 O ATOM 3245 O5* A B 152 78.453 -46.101 -55.120 1.00 0.00 O ATOM 3246 C5* A B 152 77.587 -45.114 -55.716 1.00 0.00 C ATOM 3247 C4* A B 152 78.263 -44.494 -56.923 1.00 0.00 C ATOM 3248 O4* A B 152 79.401 -43.704 -56.469 1.00 0.00 O ATOM 3249 C3* A B 152 78.870 -45.476 -57.925 1.00 0.00 C ATOM 3250 O3* A B 152 77.913 -45.940 -58.829 1.00 0.00 O ATOM 3251 C2* A B 152 79.948 -44.623 -58.592 1.00 0.00 C ATOM 3252 O2* A B 152 79.371 -43.721 -59.519 1.00 0.00 O ATOM 3253 C1* A B 152 80.452 -43.792 -57.419 1.00 0.00 C ATOM 3254 N9 A B 152 81.640 -44.380 -56.736 1.00 0.00 N ATOM 3255 C8 A B 152 81.713 -45.014 -55.516 1.00 0.00 C ATOM 3256 N7 A B 152 82.905 -45.417 -55.202 1.00 0.00 N ATOM 3257 C5 A B 152 83.686 -45.026 -56.279 1.00 0.00 C ATOM 3258 C6 A B 152 85.056 -45.160 -56.558 1.00 0.00 C ATOM 3259 N6 A B 152 85.923 -45.759 -55.726 1.00 0.00 N ATOM 3260 N1 A B 152 85.507 -44.659 -57.722 1.00 0.00 N ATOM 3261 C2 A B 152 84.640 -44.066 -58.540 1.00 0.00 C ATOM 3262 N3 A B 152 83.345 -43.881 -58.392 1.00 0.00 N ATOM 3263 C4 A B 152 82.922 -44.395 -57.218 1.00 0.00 C ATOM 3264 P U B 153 78.039 -47.469 -59.384 1.00 0.00 P ATOM 3265 O1P U B 153 76.770 -47.887 -60.019 1.00 0.00 O ATOM 3266 O2P U B 153 78.540 -48.346 -58.304 1.00 0.00 O ATOM 3267 O5* U B 153 79.169 -47.290 -60.504 1.00 0.00 O ATOM 3268 C5* U B 153 78.924 -46.398 -61.607 1.00 0.00 C ATOM 3269 C4* U B 153 80.165 -46.288 -62.470 1.00 0.00 C ATOM 3270 O4* U B 153 81.202 -45.597 -61.714 1.00 0.00 O ATOM 3271 C3* U B 153 80.819 -47.610 -62.869 1.00 0.00 C ATOM 3272 O3* U B 153 80.213 -48.160 -63.997 1.00 0.00 O ATOM 3273 C2* U B 153 82.265 -47.186 -63.126 1.00 0.00 C ATOM 3274 O2* U B 153 82.379 -46.524 -64.373 1.00 0.00 O ATOM 3275 C1* U B 153 82.473 -46.136 -62.042 1.00 0.00 C ATOM 3276 N1 U B 153 83.077 -46.678 -60.791 1.00 0.00 N ATOM 3277 C2 U B 153 84.415 -46.987 -60.826 1.00 0.00 C ATOM 3278 O2 U B 153 85.105 -46.838 -61.823 1.00 0.00 O ATOM 3279 N3 U B 153 84.939 -47.486 -59.652 1.00 0.00 N ATOM 3280 C4 U B 153 84.255 -47.697 -58.473 1.00 0.00 C ATOM 3281 O4 U B 153 84.833 -48.150 -57.481 1.00 0.00 O ATOM 3282 C5 U B 153 82.857 -47.342 -58.533 1.00 0.00 C ATOM 3283 C6 U B 153 82.320 -46.854 -59.665 1.00 0.00 C ATOM 3284 P U B 154 80.117 -49.786 -64.121 1.00 0.00 P ATOM 3285 O1P U B 154 79.138 -50.161 -65.170 1.00 0.00 O ATOM 3286 O2P U B 154 79.880 -50.369 -62.782 1.00 0.00 O ATOM 3287 O5* U B 154 81.595 -50.139 -64.614 1.00 0.00 O ATOM 3288 C5* U B 154 82.067 -49.592 -65.860 1.00 0.00 C ATOM 3289 C4* U B 154 83.526 -49.950 -66.064 1.00 0.00 C ATOM 3290 O4* U B 154 84.327 -49.245 -65.072 1.00 0.00 O ATOM 3291 C3* U B 154 83.888 -51.420 -65.851 1.00 0.00 C ATOM 3292 O3* U B 154 83.650 -52.176 -66.998 1.00 0.00 O ATOM 3293 C2* U B 154 85.373 -51.338 -65.496 1.00 0.00 C ATOM 3294 O2* U B 154 86.153 -51.106 -66.657 1.00 0.00 O ATOM 3295 C1* U B 154 85.417 -50.057 -64.669 1.00 0.00 C ATOM 3296 N1 U B 154 85.301 -50.291 -63.203 1.00 0.00 N ATOM 3297 C2 U B 154 86.399 -50.812 -62.561 1.00 0.00 C ATOM 3298 O2 U B 154 87.438 -51.083 -63.142 1.00 0.00 O ATOM 3299 N3 U B 154 86.253 -51.014 -61.204 1.00 0.00 N ATOM 3300 C4 U B 154 85.129 -50.746 -60.452 1.00 0.00 C ATOM 3301 O4 U B 154 85.117 -50.967 -59.239 1.00 0.00 O ATOM 3302 C5 U B 154 84.027 -50.201 -61.213 1.00 0.00 C ATOM 3303 C6 U B 154 84.143 -49.993 -62.535 1.00 0.00 C ATOM 3304 P A B 155 83.161 -53.722 -66.828 1.00 0.00 P ATOM 3305 O1P A B 155 82.617 -54.233 -68.108 1.00 0.00 O ATOM 3306 O2P A B 155 82.261 -53.832 -65.657 1.00 0.00 O ATOM 3307 O5* A B 155 84.554 -54.445 -66.511 1.00 0.00 O ATOM 3308 C5* A B 155 85.611 -54.383 -67.486 1.00 0.00 C ATOM 3309 C4* A B 155 86.868 -55.021 -66.927 1.00 0.00 C ATOM 3310 O4* A B 155 87.373 -54.192 -65.839 1.00 0.00 O ATOM 3311 C3* A B 155 86.691 -56.397 -66.289 1.00 0.00 C ATOM 3312 O3* A B 155 86.725 -57.413 -67.241 1.00 0.00 O ATOM 3313 C2* A B 155 87.871 -56.456 -65.320 1.00 0.00 C ATOM 3314 O2* A B 155 89.080 -56.714 -66.020 1.00 0.00 O ATOM 3315 C1* A B 155 87.942 -55.013 -64.832 1.00 0.00 C ATOM 3316 N9 A B 155 87.191 -54.771 -63.568 1.00 0.00 N ATOM 3317 C8 A B 155 85.990 -54.127 -63.380 1.00 0.00 C ATOM 3318 N7 A B 155 85.604 -54.085 -62.142 1.00 0.00 N ATOM 3319 C5 A B 155 86.609 -54.745 -61.453 1.00 0.00 C ATOM 3320 C6 A B 155 86.791 -55.039 -60.092 1.00 0.00 C ATOM 3321 N6 A B 155 85.919 -54.688 -59.137 1.00 0.00 N ATOM 3322 N1 A B 155 87.905 -55.710 -59.746 1.00 0.00 N ATOM 3323 C2 A B 155 88.768 -56.058 -60.701 1.00 0.00 C ATOM 3324 N3 A B 155 88.706 -55.842 -61.995 1.00 0.00 N ATOM 3325 C4 A B 155 87.582 -55.169 -62.314 1.00 0.00 C ATOM 3326 P A B 156 85.797 -58.737 -67.012 1.00 0.00 P ATOM 3327 O1P A B 156 85.687 -59.508 -68.272 1.00 0.00 O ATOM 3328 O2P A B 156 84.519 -58.340 -66.385 1.00 0.00 O ATOM 3329 O5* A B 156 86.690 -59.549 -65.958 1.00 0.00 O ATOM 3330 C5* A B 156 88.019 -59.956 -66.335 1.00 0.00 C ATOM 3331 C4* A B 156 88.719 -60.592 -65.152 1.00 0.00 C ATOM 3332 O4* A B 156 88.962 -59.569 -64.143 1.00 0.00 O ATOM 3333 C3* A B 156 87.925 -61.665 -64.407 1.00 0.00 C ATOM 3334 O3* A B 156 88.049 -62.912 -65.016 1.00 0.00 O ATOM 3335 C2* A B 156 88.560 -61.624 -63.019 1.00 0.00 C ATOM 3336 O2* A B 156 89.820 -62.273 -63.021 1.00 0.00 O ATOM 3337 C1* A B 156 88.830 -60.132 -62.847 1.00 0.00 C ATOM 3338 N9 A B 156 87.741 -59.403 -62.138 1.00 0.00 N ATOM 3339 C8 A B 156 86.794 -58.546 -62.648 1.00 0.00 C ATOM 3340 N7 A B 156 85.978 -58.072 -61.761 1.00 0.00 N ATOM 3341 C5 A B 156 86.401 -58.649 -60.571 1.00 0.00 C ATOM 3342 C6 A B 156 85.939 -58.549 -59.249 1.00 0.00 C ATOM 3343 N6 A B 156 84.898 -57.785 -58.890 1.00 0.00 N ATOM 3344 N1 A B 156 86.589 -59.256 -58.310 1.00 0.00 N ATOM 3345 C2 A B 156 87.625 -60.012 -58.674 1.00 0.00 C ATOM 3346 N3 A B 156 88.145 -60.185 -59.872 1.00 0.00 N ATOM 3347 C4 A B 156 87.475 -59.464 -60.793 1.00 0.00 C ATOM 3348 P C B 157 86.780 -63.937 -64.978 1.00 0.00 P ATOM 3349 O1P C B 157 86.966 -65.019 -65.969 1.00 0.00 O ATOM 3350 O2P C B 157 85.523 -63.164 -65.097 1.00 0.00 O ATOM 3351 O5* C B 157 86.916 -64.528 -63.499 1.00 0.00 O ATOM 3352 C5* C B 157 88.115 -65.241 -63.138 1.00 0.00 C ATOM 3353 C4* C B 157 88.083 -65.599 -61.666 1.00 0.00 C ATOM 3354 O4* C B 157 88.179 -64.375 -60.881 1.00 0.00 O ATOM 3355 C3* C B 157 86.794 -66.253 -61.168 1.00 0.00 C ATOM 3356 O3* C B 157 86.797 -67.631 -61.395 1.00 0.00 O ATOM 3357 C2* C B 157 86.810 -65.903 -59.683 1.00 0.00 C ATOM 3358 O2* C B 157 87.732 -66.719 -58.984 1.00 0.00 O ATOM 3359 C1* C B 157 87.395 -64.494 -59.707 1.00 0.00 C ATOM 3360 N1 C B 157 86.364 -63.420 -59.729 1.00 0.00 N ATOM 3361 C2 C B 157 85.667 -63.162 -58.551 1.00 0.00 C ATOM 3362 O2 C B 157 85.928 -63.829 -57.545 1.00 0.00 O ATOM 3363 N3 C B 157 84.723 -62.185 -58.554 1.00 0.00 N ATOM 3364 C4 C B 157 84.468 -61.485 -59.666 1.00 0.00 C ATOM 3365 N4 C B 157 83.537 -60.541 -59.616 1.00 0.00 N ATOM 3366 C5 C B 157 85.173 -61.734 -60.886 1.00 0.00 C ATOM 3367 C6 C B 157 86.114 -62.712 -60.865 1.00 0.00 C ATOM 3368 P U B 158 84.777 -68.379 -61.393 1.00 0.00 P ATOM 3369 O1P U B 158 84.861 -69.846 -61.562 1.00 0.00 O ATOM 3370 O2P U B 158 84.183 -67.632 -62.524 1.00 0.00 O ATOM 3371 O5* U B 158 83.985 -68.035 -60.046 1.00 0.00 O ATOM 3372 C5* U B 158 84.454 -68.587 -58.801 1.00 0.00 C ATOM 3373 C4* U B 158 83.639 -68.032 -57.648 1.00 0.00 C ATOM 3374 O4* U B 158 83.928 -66.612 -57.508 1.00 0.00 O ATOM 3375 C3* U B 158 82.121 -68.084 -57.821 1.00 0.00 C ATOM 3376 O3* U B 158 81.606 -69.326 -57.451 1.00 0.00 O ATOM 3377 C2* U B 158 81.654 -66.955 -56.903 1.00 0.00 C ATOM 3378 O2* U B 158 81.716 -67.356 -55.543 1.00 0.00 O ATOM 3379 C1* U B 158 82.755 -65.920 -57.106 1.00 0.00 C ATOM 3380 N1 U B 158 82.436 -64.909 -58.155 1.00 0.00 N ATOM 3381 C2 U B 158 81.513 -63.944 -57.836 1.00 0.00 C ATOM 3382 O2 U B 158 80.958 -63.892 -56.752 1.00 0.00 O ATOM 3383 N3 U B 158 81.244 -63.026 -58.833 1.00 0.00 N ATOM 3384 C4 U B 158 81.809 -62.993 -60.090 1.00 0.00 C ATOM 3385 O4 U B 158 81.487 -62.120 -60.898 1.00 0.00 O ATOM 3386 C5 U B 158 82.767 -64.045 -60.332 1.00 0.00 C ATOM 3387 C6 U B 158 83.048 -64.950 -59.381 1.00 0.00 C ATOM 3388 P G B 159 80.310 -69.907 -58.257 1.00 0.00 P ATOM 3389 O1P G B 159 80.145 -71.353 -57.983 1.00 0.00 O ATOM 3390 O2P G B 159 80.406 -69.531 -59.685 1.00 0.00 O ATOM 3391 O5* G B 159 79.129 -69.089 -57.557 1.00 0.00 O ATOM 3392 C5* G B 159 78.915 -69.239 -56.142 1.00 0.00 C ATOM 3393 C4* G B 159 77.835 -68.283 -55.675 1.00 0.00 C ATOM 3394 O4* G B 159 78.331 -66.917 -55.789 1.00 0.00 O ATOM 3395 C3* G B 159 76.548 -68.277 -56.500 1.00 0.00 C ATOM 3396 O3* G B 159 75.680 -69.289 -56.101 1.00 0.00 O ATOM 3397 C2* G B 159 75.995 -66.881 -56.222 1.00 0.00 C ATOM 3398 O2* G B 159 75.406 -66.822 -54.933 1.00 0.00 O ATOM 3399 C1* G B 159 77.274 -66.050 -56.163 1.00 0.00 C ATOM 3400 N9 G B 159 77.634 -65.415 -57.460 1.00 0.00 N ATOM 3401 C8 G B 159 78.632 -65.753 -58.348 1.00 0.00 C ATOM 3402 N7 G B 159 78.686 -64.985 -59.412 1.00 0.00 N ATOM 3403 C5 G B 159 77.648 -64.071 -59.210 1.00 0.00 C ATOM 3404 C6 G B 159 77.213 -62.994 -60.020 1.00 0.00 C ATOM 3405 O6 G B 159 77.659 -62.613 -61.102 1.00 0.00 O ATOM 3406 N1 G B 159 76.128 -62.323 -59.444 1.00 0.00 N ATOM 3407 C2 G B 159 75.538 -62.651 -58.237 1.00 0.00 C ATOM 3408 N2 G B 159 74.511 -61.891 -57.855 1.00 0.00 N ATOM 3409 N3 G B 159 75.947 -63.666 -57.476 1.00 0.00 N ATOM 3410 C4 G B 159 77.003 -64.326 -58.024 1.00 0.00 C ATOM 3411 P A B 160 75.890 -71.036 -56.596 1.00 0.00 P ATOM 3412 O1P A B 160 74.590 -71.726 -56.742 1.00 0.00 O ATOM 3413 O2P A B 160 76.887 -71.713 -55.738 1.00 0.00 O ATOM 3414 O5* A B 160 76.511 -70.517 -58.226 1.00 0.00 O ATOM 3415 C5* A B 160 75.497 -69.775 -58.953 1.00 0.00 C ATOM 3416 C4* A B 160 75.872 -69.209 -60.419 1.00 0.00 C ATOM 3417 O4* A B 160 76.383 -67.847 -60.535 1.00 0.00 O ATOM 3418 C3* A B 160 76.657 -69.983 -61.478 1.00 0.00 C ATOM 3419 O3* A B 160 76.720 -71.492 -61.626 1.00 0.00 O ATOM 3420 C2* A B 160 76.796 -68.951 -62.597 1.00 0.00 C ATOM 3421 O2* A B 160 75.576 -68.821 -63.310 1.00 0.00 O ATOM 3422 C1* A B 160 76.987 -67.665 -61.803 1.00 0.00 C ATOM 3423 N9 A B 160 78.590 -67.221 -61.565 1.00 0.00 N ATOM 3424 C8 A B 160 79.474 -67.684 -60.618 1.00 0.00 C ATOM 3425 N7 A B 160 80.689 -67.260 -60.781 1.00 0.00 N ATOM 3426 C5 A B 160 80.615 -66.458 -61.914 1.00 0.00 C ATOM 3427 C6 A B 160 81.581 -65.714 -62.609 1.00 0.00 C ATOM 3428 N6 A B 160 82.870 -65.653 -62.244 1.00 0.00 N ATOM 3429 N1 A B 160 81.171 -65.033 -63.692 1.00 0.00 N ATOM 3430 C2 A B 160 79.890 -65.098 -64.047 1.00 0.00 C ATOM 3431 N3 A B 160 78.906 -65.757 -63.479 1.00 0.00 N ATOM 3432 C4 A B 160 79.340 -66.434 -62.396 1.00 0.00 C ATOM 3433 P A B 161 78.406 -72.175 -61.396 1.00 0.00 P ATOM 3434 O1P A B 161 78.575 -72.823 -60.075 1.00 0.00 O ATOM 3435 O2P A B 161 79.443 -71.195 -61.768 1.00 0.00 O ATOM 3436 O5* A B 161 78.173 -73.411 -62.705 1.00 0.00 O ATOM 3437 C5* A B 161 79.058 -74.014 -63.652 1.00 0.00 C ATOM 3438 C4* A B 161 78.579 -73.736 -65.165 1.00 0.00 C ATOM 3439 O4* A B 161 77.183 -73.990 -65.504 1.00 0.00 O ATOM 3440 C3* A B 161 78.930 -72.488 -65.979 1.00 0.00 C ATOM 3441 O3* A B 161 80.393 -72.060 -66.052 1.00 0.00 O ATOM 3442 C2* A B 161 78.133 -72.705 -67.260 1.00 0.00 C ATOM 3443 O2* A B 161 78.767 -73.670 -68.089 1.00 0.00 O ATOM 3444 C1* A B 161 76.858 -73.353 -66.727 1.00 0.00 C ATOM 3445 N9 A B 161 75.586 -72.276 -66.444 1.00 0.00 N ATOM 3446 C8 A B 161 75.568 -71.169 -65.624 1.00 0.00 C ATOM 3447 N7 A B 161 74.482 -70.464 -65.728 1.00 0.00 N ATOM 3448 C5 A B 161 73.734 -71.138 -66.677 1.00 0.00 C ATOM 3449 C6 A B 161 72.468 -70.882 -67.235 1.00 0.00 C ATOM 3450 N6 A B 161 71.703 -69.837 -66.894 1.00 0.00 N ATOM 3451 N1 A B 161 72.011 -71.753 -68.154 1.00 0.00 N ATOM 3452 C2 A B 161 72.776 -72.792 -68.490 1.00 0.00 C ATOM 3453 N3 A B 161 73.964 -73.124 -68.039 1.00 0.00 N ATOM 3454 C4 A B 161 74.395 -72.241 -67.120 1.00 0.00 C ATOM 3455 P U B 162 80.816 -70.548 -65.113 1.00 0.00 P ATOM 3456 O1P U B 162 81.836 -70.815 -64.076 1.00 0.00 O ATOM 3457 O2P U B 162 79.622 -69.797 -64.659 1.00 0.00 O ATOM 3458 O5* U B 162 81.565 -69.823 -66.600 1.00 0.00 O ATOM 3459 C5* U B 162 82.283 -70.252 -67.762 1.00 0.00 C ATOM 3460 C4* U B 162 81.548 -69.869 -69.154 1.00 0.00 C ATOM 3461 O4* U B 162 80.430 -70.684 -69.610 1.00 0.00 O ATOM 3462 C3* U B 162 81.135 -68.444 -69.518 1.00 0.00 C ATOM 3463 O3* U B 162 82.279 -67.424 -69.503 1.00 0.00 O ATOM 3464 C2* U B 162 80.391 -68.650 -70.834 1.00 0.00 C ATOM 3465 O2* U B 162 81.306 -68.868 -71.899 1.00 0.00 O ATOM 3466 C1* U B 162 79.684 -69.974 -70.583 1.00 0.00 C ATOM 3467 N1 U B 162 78.086 -69.830 -70.030 1.00 0.00 N ATOM 3468 C2 U B 162 77.161 -69.332 -70.913 1.00 0.00 C ATOM 3469 O2 U B 162 77.433 -69.067 -72.074 1.00 0.00 O ATOM 3470 N3 U B 162 75.891 -69.151 -70.407 1.00 0.00 N ATOM 3471 C4 U B 162 75.476 -69.414 -69.118 1.00 0.00 C ATOM 3472 O4 U B 162 74.310 -69.209 -68.780 1.00 0.00 O ATOM 3473 C5 U B 162 76.519 -69.932 -68.260 1.00 0.00 C ATOM 3474 C6 U B 162 77.760 -70.122 -68.728 1.00 0.00 C ATOM 3475 P C B 163 82.039 -65.991 -68.400 1.00 0.00 P ATOM 3476 O1P C B 163 83.332 -65.390 -68.003 1.00 0.00 O ATOM 3477 O2P C B 163 81.092 -66.266 -67.299 1.00 0.00 O ATOM 3478 O5* C B 163 81.281 -65.077 -69.770 1.00 0.00 O ATOM 3479 C5* C B 163 80.876 -64.878 -71.129 1.00 0.00 C ATOM 3480 C4* C B 163 79.287 -64.572 -71.271 1.00 0.00 C ATOM 3481 O4* C B 163 78.369 -65.673 -71.029 1.00 0.00 O ATOM 3482 C3* C B 163 78.624 -63.377 -70.585 1.00 0.00 C ATOM 3483 O3* C B 163 79.186 -62.013 -70.995 1.00 0.00 O ATOM 3484 C2* C B 163 77.141 -63.646 -70.836 1.00 0.00 C ATOM 3485 O2* C B 163 76.794 -63.326 -72.173 1.00 0.00 O ATOM 3486 C1* C B 163 77.079 -65.167 -70.715 1.00 0.00 C ATOM 3487 N1 C B 163 76.637 -65.743 -69.165 1.00 0.00 N ATOM 3488 C2 C B 163 75.289 -65.743 -68.835 1.00 0.00 C ATOM 3489 O2 C B 163 74.471 -65.320 -69.666 1.00 0.00 O ATOM 3490 N3 C B 163 74.913 -66.205 -67.611 1.00 0.00 N ATOM 3491 C4 C B 163 75.827 -66.654 -66.744 1.00 0.00 C ATOM 3492 N4 C B 163 75.409 -67.096 -65.565 1.00 0.00 N ATOM 3493 C5 C B 163 77.224 -66.665 -67.062 1.00 0.00 C ATOM 3494 C6 C B 163 77.575 -66.196 -68.291 1.00 0.00 C ATOM 3495 P C B 164 79.543 -60.860 -69.629 1.00 0.00 P ATOM 3496 O1P C B 164 80.760 -60.061 -69.892 1.00 0.00 O ATOM 3497 O2P C B 164 79.472 -61.501 -68.297 1.00 0.00 O ATOM 3498 O5* C B 164 78.043 -59.934 -70.052 1.00 0.00 O ATOM 3499 C5* C B 164 77.067 -59.842 -71.100 1.00 0.00 C ATOM 3500 C4* C B 164 75.554 -59.732 -70.523 1.00 0.00 C ATOM 3501 O4* C B 164 74.808 -60.961 -70.320 1.00 0.00 O ATOM 3502 C3* C B 164 75.261 -58.909 -69.266 1.00 0.00 C ATOM 3503 O3* C B 164 75.730 -57.459 -69.298 1.00 0.00 O ATOM 3504 C2* C B 164 73.810 -59.277 -68.978 1.00 0.00 C ATOM 3505 O2* C B 164 72.934 -58.600 -69.866 1.00 0.00 O ATOM 3506 C1* C B 164 73.780 -60.751 -69.360 1.00 0.00 C ATOM 3507 N1 C B 164 74.030 -61.829 -68.060 1.00 0.00 N ATOM 3508 C2 C B 164 72.927 -62.178 -67.285 1.00 0.00 C ATOM 3509 O2 C B 164 71.818 -61.711 -67.573 1.00 0.00 O ATOM 3510 N3 C B 164 73.109 -63.034 -66.243 1.00 0.00 N ATOM 3511 C4 C B 164 74.323 -63.527 -65.969 1.00 0.00 C ATOM 3512 N4 C B 164 74.450 -64.350 -64.942 1.00 0.00 N ATOM 3513 C5 C B 164 75.469 -63.175 -66.748 1.00 0.00 C ATOM 3514 C6 C B 164 75.268 -62.327 -67.788 1.00 0.00 C ATOM 3515 P A B 165 76.448 -56.873 -67.729 1.00 0.00 P ATOM 3516 O1P A B 165 77.471 -55.821 -67.923 1.00 0.00 O ATOM 3517 O2P A B 165 76.826 -57.984 -66.826 1.00 0.00 O ATOM 3518 O5* A B 165 74.824 -56.163 -67.361 1.00 0.00 O ATOM 3519 C5* A B 165 73.558 -56.418 -67.988 1.00 0.00 C ATOM 3520 C4* A B 165 72.474 -56.970 -66.921 1.00 0.00 C ATOM 3521 O4* A B 165 72.240 -58.402 -66.792 1.00 0.00 O ATOM 3522 C3* A B 165 72.503 -56.470 -65.473 1.00 0.00 C ATOM 3523 O3* A B 165 72.457 -54.962 -65.287 1.00 0.00 O ATOM 3524 C2* A B 165 71.447 -57.358 -64.809 1.00 0.00 C ATOM 3525 O2* A B 165 70.139 -56.923 -65.149 1.00 0.00 O ATOM 3526 C1* A B 165 71.673 -58.685 -65.526 1.00 0.00 C ATOM 3527 N9 A B 165 72.689 -59.755 -64.718 1.00 0.00 N ATOM 3528 C8 A B 165 73.961 -60.153 -65.063 1.00 0.00 C ATOM 3529 N7 A B 165 74.424 -61.129 -64.343 1.00 0.00 N ATOM 3530 C5 A B 165 73.394 -61.408 -63.455 1.00 0.00 C ATOM 3531 C6 A B 165 73.259 -62.352 -62.425 1.00 0.00 C ATOM 3532 N6 A B 165 74.219 -63.230 -62.094 1.00 0.00 N ATOM 3533 N1 A B 165 72.103 -62.358 -61.742 1.00 0.00 N ATOM 3534 C2 A B 165 71.153 -61.486 -62.069 1.00 0.00 C ATOM 3535 N3 A B 165 71.164 -60.566 -63.007 1.00 0.00 N ATOM 3536 C4 A B 165 72.335 -60.576 -63.679 1.00 0.00 C ATOM 3537 P U B 166 74.005 -54.276 -64.625 1.00 0.00 P ATOM 3538 O1P U B 166 73.991 -52.793 -64.634 1.00 0.00 O ATOM 3539 O2P U B 166 75.237 -54.912 -65.143 1.00 0.00 O ATOM 3540 O5* U B 166 73.700 -54.808 -63.145 1.00 0.00 O ATOM 3541 C5* U B 166 72.494 -54.383 -62.484 1.00 0.00 C ATOM 3542 C4* U B 166 72.351 -55.102 -61.159 1.00 0.00 C ATOM 3543 O4* U B 166 72.105 -56.515 -61.412 1.00 0.00 O ATOM 3544 C3* U B 166 73.589 -55.098 -60.262 1.00 0.00 C ATOM 3545 O3* U B 166 73.668 -53.931 -59.500 1.00 0.00 O ATOM 3546 C2* U B 166 73.369 -56.345 -59.404 1.00 0.00 C ATOM 3547 O2* U B 166 72.396 -56.100 -58.403 1.00 0.00 O ATOM 3548 C1* U B 166 72.737 -57.300 -60.412 1.00 0.00 C ATOM 3549 N1 U B 166 73.721 -58.197 -61.083 1.00 0.00 N ATOM 3550 C2 U B 166 74.233 -59.230 -60.340 1.00 0.00 C ATOM 3551 O2 U B 166 73.917 -59.432 -59.178 1.00 0.00 O ATOM 3552 N3 U B 166 75.143 -60.040 -60.994 1.00 0.00 N ATOM 3553 C4 U B 166 75.569 -59.903 -62.299 1.00 0.00 C ATOM 3554 O4 U B 166 76.389 -60.690 -62.778 1.00 0.00 O ATOM 3555 C5 U B 166 74.974 -58.788 -62.999 1.00 0.00 C ATOM 3556 C6 U B 166 74.090 -57.986 -62.386 1.00 0.00 C ATOM 3557 P A B 167 75.139 -53.319 -59.153 1.00 0.00 P ATOM 3558 O1P A B 167 75.013 -51.925 -58.678 1.00 0.00 O ATOM 3559 O2P A B 167 76.043 -53.524 -60.310 1.00 0.00 O ATOM 3560 O5* A B 167 75.583 -54.266 -57.943 1.00 0.00 O ATOM 3561 C5* A B 167 74.784 -54.290 -56.748 1.00 0.00 C ATOM 3562 C4* A B 167 75.313 -55.341 -55.791 1.00 0.00 C ATOM 3563 O4* A B 167 75.081 -56.661 -56.366 1.00 0.00 O ATOM 3564 C3* A B 167 76.820 -55.309 -55.535 1.00 0.00 C ATOM 3565 O3* A B 167 77.147 -54.388 -54.541 1.00 0.00 O ATOM 3566 C2* A B 167 77.102 -56.750 -55.118 1.00 0.00 C ATOM 3567 O2* A B 167 76.676 -56.984 -53.786 1.00 0.00 O ATOM 3568 C1* A B 167 76.153 -57.524 -56.028 1.00 0.00 C ATOM 3569 N9 A B 167 76.786 -57.990 -57.293 1.00 0.00 N ATOM 3570 C8 A B 167 76.627 -57.504 -58.573 1.00 0.00 C ATOM 3571 N7 A B 167 77.326 -58.133 -59.466 1.00 0.00 N ATOM 3572 C5 A B 167 77.999 -59.106 -58.742 1.00 0.00 C ATOM 3573 C6 A B 167 78.910 -60.107 -59.120 1.00 0.00 C ATOM 3574 N6 A B 167 79.315 -60.302 -60.382 1.00 0.00 N ATOM 3575 N1 A B 167 79.390 -60.906 -58.148 1.00 0.00 N ATOM 3576 C2 A B 167 78.982 -60.706 -56.891 1.00 0.00 C ATOM 3577 N3 A B 167 78.142 -59.809 -56.424 1.00 0.00 N ATOM 3578 C4 A B 167 77.676 -59.023 -57.416 1.00 0.00 C ATOM 3579 P G B 168 76.238 -53.732 -53.058 1.00 0.00 P ATOM 3580 O1P G B 168 75.939 -52.290 -53.185 1.00 0.00 O ATOM 3581 O2P G B 168 77.014 -54.119 -51.856 1.00 0.00 O ATOM 3582 O5* G B 168 74.743 -54.799 -53.062 1.00 0.00 O ATOM 3583 C5* G B 168 74.482 -55.440 -51.772 1.00 0.00 C ATOM 3584 C4* G B 168 74.490 -57.075 -51.801 1.00 0.00 C ATOM 3585 O4* G B 168 73.217 -57.522 -52.350 1.00 0.00 O ATOM 3586 C3* G B 168 75.522 -57.946 -52.515 1.00 0.00 C ATOM 3587 O3* G B 168 76.938 -58.047 -51.558 1.00 0.00 O ATOM 3588 C2* G B 168 74.787 -59.279 -52.640 1.00 0.00 C ATOM 3589 O2* G B 168 74.777 -59.966 -51.401 1.00 0.00 O ATOM 3590 C1* G B 168 73.361 -58.818 -52.905 1.00 0.00 C ATOM 3591 N9 G B 168 72.927 -58.748 -54.567 1.00 0.00 N ATOM 3592 C8 G B 168 72.969 -57.674 -55.430 1.00 0.00 C ATOM 3593 N7 G B 168 72.432 -57.914 -56.603 1.00 0.00 N ATOM 3594 C5 G B 168 72.008 -59.239 -56.511 1.00 0.00 C ATOM 3595 C6 G B 168 71.351 -60.054 -57.466 1.00 0.00 C ATOM 3596 O6 G B 168 71.007 -59.779 -58.614 1.00 0.00 O ATOM 3597 N1 G B 168 71.104 -61.339 -56.958 1.00 0.00 N ATOM 3598 C2 G B 168 71.442 -61.774 -55.690 1.00 0.00 C ATOM 3599 N2 G B 168 71.118 -63.036 -55.396 1.00 0.00 N ATOM 3600 N3 G B 168 72.057 -61.007 -54.795 1.00 0.00 N ATOM 3601 C4 G B 168 72.306 -59.757 -55.270 1.00 0.00 C ATOM 3602 P G B 169 78.291 -56.936 -50.705 1.00 0.00 P ATOM 3603 O1P G B 169 77.988 -56.363 -49.377 1.00 0.00 O ATOM 3604 O2P G B 169 78.569 -55.955 -51.782 1.00 0.00 O ATOM 3605 O5* G B 169 79.509 -57.967 -50.588 1.00 0.00 O ATOM 3606 C5* G B 169 79.604 -58.802 -49.418 1.00 0.00 C ATOM 3607 C4* G B 169 80.751 -59.781 -49.570 1.00 0.00 C ATOM 3608 O4* G B 169 80.423 -60.728 -50.626 1.00 0.00 O ATOM 3609 C3* G B 169 82.085 -59.180 -50.017 1.00 0.00 C ATOM 3610 O3* G B 169 82.802 -58.670 -48.937 1.00 0.00 O ATOM 3611 C2* G B 169 82.773 -60.377 -50.668 1.00 0.00 C ATOM 3612 O2* G B 169 83.273 -61.267 -49.685 1.00 0.00 O ATOM 3613 C1* G B 169 81.597 -61.079 -51.343 1.00 0.00 C ATOM 3614 N9 G B 169 81.403 -60.686 -52.767 1.00 0.00 N ATOM 3615 C8 G B 169 80.440 -59.874 -53.322 1.00 0.00 C ATOM 3616 N7 G B 169 80.549 -59.728 -54.621 1.00 0.00 N ATOM 3617 C5 G B 169 81.666 -60.496 -54.947 1.00 0.00 C ATOM 3618 C6 G B 169 82.278 -60.728 -56.206 1.00 0.00 C ATOM 3619 O6 G B 169 81.957 -60.297 -57.310 1.00 0.00 O ATOM 3620 N1 G B 169 83.389 -61.572 -56.086 1.00 0.00 N ATOM 3621 C2 G B 169 83.852 -62.119 -54.904 1.00 0.00 C ATOM 3622 N2 G B 169 84.932 -62.899 -55.001 1.00 0.00 N ATOM 3623 N3 G B 169 83.277 -61.901 -53.723 1.00 0.00 N ATOM 3624 C4 G B 169 82.194 -61.085 -53.823 1.00 0.00 C ATOM 3625 P U B 170 83.730 -57.347 -49.165 1.00 0.00 P ATOM 3626 O1P U B 170 84.105 -56.753 -47.862 1.00 0.00 O ATOM 3627 O2P U B 170 83.060 -56.435 -50.121 1.00 0.00 O ATOM 3628 O5* U B 170 85.019 -58.000 -49.853 1.00 0.00 O ATOM 3629 C5* U B 170 85.771 -58.990 -49.127 1.00 0.00 C ATOM 3630 C4* U B 170 86.865 -59.559 -50.007 1.00 0.00 C ATOM 3631 O4* U B 170 86.253 -60.334 -51.079 1.00 0.00 O ATOM 3632 C3* U B 170 87.730 -58.535 -50.742 1.00 0.00 C ATOM 3633 O3* U B 170 88.766 -58.069 -49.935 1.00 0.00 O ATOM 3634 C2* U B 170 88.233 -59.340 -51.937 1.00 0.00 C ATOM 3635 O2* U B 170 89.264 -60.230 -51.549 1.00 0.00 O ATOM 3636 C1* U B 170 87.012 -60.191 -52.269 1.00 0.00 C ATOM 3637 N1 U B 170 86.130 -59.596 -53.310 1.00 0.00 N ATOM 3638 C2 U B 170 86.577 -59.637 -54.607 1.00 0.00 C ATOM 3639 O2 U B 170 87.645 -60.132 -54.924 1.00 0.00 O ATOM 3640 N3 U B 170 85.732 -59.074 -55.546 1.00 0.00 N ATOM 3641 C4 U B 170 84.507 -58.489 -55.297 1.00 0.00 C ATOM 3642 O4 U B 170 83.839 -58.019 -56.222 1.00 0.00 O ATOM 3643 C5 U B 170 84.122 -58.495 -53.907 1.00 0.00 C ATOM 3644 C6 U B 170 84.924 -59.034 -52.974 1.00 0.00 C ATOM 3645 P U B 171 89.257 -56.520 -50.104 1.00 0.00 P ATOM 3646 O1P U B 171 90.082 -56.116 -48.943 1.00 0.00 O ATOM 3647 O2P U B 171 88.088 -55.661 -50.394 1.00 0.00 O ATOM 3648 O5* U B 171 90.179 -56.641 -51.407 1.00 0.00 O ATOM 3649 C5* U B 171 91.331 -57.503 -51.371 1.00 0.00 C ATOM 3650 C4* U B 171 91.978 -57.560 -52.740 1.00 0.00 C ATOM 3651 O4* U B 171 91.081 -58.246 -53.661 1.00 0.00 O ATOM 3652 C3* U B 171 92.233 -56.211 -53.411 1.00 0.00 C ATOM 3653 O3* U B 171 93.431 -55.642 -52.982 1.00 0.00 O ATOM 3654 C2* U B 171 92.259 -56.589 -54.892 1.00 0.00 C ATOM 3655 O2* U B 171 93.485 -57.216 -55.230 1.00 0.00 O ATOM 3656 C1* U B 171 91.180 -57.667 -54.951 1.00 0.00 C ATOM 3657 N1 U B 171 89.836 -57.145 -55.325 1.00 0.00 N ATOM 3658 C2 U B 171 89.643 -56.804 -56.642 1.00 0.00 C ATOM 3659 O2 U B 171 90.513 -56.908 -57.488 1.00 0.00 O ATOM 3660 N3 U B 171 88.384 -56.327 -56.954 1.00 0.00 N ATOM 3661 C4 U B 171 87.330 -56.166 -56.077 1.00 0.00 C ATOM 3662 O4 U B 171 86.247 -55.727 -56.472 1.00 0.00 O ATOM 3663 C5 U B 171 87.627 -56.552 -54.719 1.00 0.00 C ATOM 3664 C6 U B 171 88.844 -57.021 -54.389 1.00 0.00 C ATOM 3665 P A B 172 93.530 -54.017 -52.861 1.00 0.00 P ATOM 3666 O1P A B 172 94.715 -53.635 -52.059 1.00 0.00 O ATOM 3667 O2P A B 172 92.233 -53.480 -52.391 1.00 0.00 O ATOM 3668 O5* A B 172 93.761 -53.615 -54.393 1.00 0.00 O ATOM 3669 C5* A B 172 94.927 -54.110 -55.076 1.00 0.00 C ATOM 3670 C4* A B 172 94.879 -53.712 -56.538 1.00 0.00 C ATOM 3671 O4* A B 172 93.790 -54.426 -57.184 1.00 0.00 O ATOM 3672 C3* A B 172 94.575 -52.240 -56.816 1.00 0.00 C ATOM 3673 O3* A B 172 95.725 -51.459 -56.747 1.00 0.00 O ATOM 3674 C2* A B 172 93.984 -52.299 -58.222 1.00 0.00 C ATOM 3675 O2* A B 172 95.007 -52.477 -59.189 1.00 0.00 O ATOM 3676 C1* A B 172 93.191 -53.598 -58.171 1.00 0.00 C ATOM 3677 N9 A B 172 91.758 -53.412 -57.809 1.00 0.00 N ATOM 3678 C8 A B 172 91.119 -53.696 -56.621 1.00 0.00 C ATOM 3679 N7 A B 172 89.854 -53.412 -56.623 1.00 0.00 N ATOM 3680 C5 A B 172 89.626 -52.908 -57.895 1.00 0.00 C ATOM 3681 C6 A B 172 88.471 -52.423 -58.529 1.00 0.00 C ATOM 3682 N6 A B 172 87.269 -52.369 -57.937 1.00 0.00 N ATOM 3683 N1 A B 172 88.594 -51.995 -59.799 1.00 0.00 N ATOM 3684 C2 A B 172 89.789 -52.050 -60.382 1.00 0.00 C ATOM 3685 N3 A B 172 90.934 -52.478 -59.892 1.00 0.00 N ATOM 3686 C4 A B 172 90.782 -52.902 -58.621 1.00 0.00 C ATOM 3687 P A B 173 95.602 -49.927 -56.192 1.00 0.00 P ATOM 3688 O1P A B 173 96.942 -49.397 -55.848 1.00 0.00 O ATOM 3689 O2P A B 173 94.592 -49.876 -55.112 1.00 0.00 O ATOM 3690 O5* A B 173 95.042 -49.181 -57.490 1.00 0.00 O ATOM 3691 C5* A B 173 95.832 -49.189 -58.695 1.00 0.00 C ATOM 3692 C4* A B 173 95.059 -48.539 -59.826 1.00 0.00 C ATOM 3693 O4* A B 173 93.923 -49.387 -60.171 1.00 0.00 O ATOM 3694 C3* A B 173 94.423 -47.185 -59.505 1.00 0.00 C ATOM 3695 O3* A B 173 95.334 -46.145 -59.666 1.00 0.00 O ATOM 3696 C2* A B 173 93.275 -47.126 -60.511 1.00 0.00 C ATOM 3697 O2* A B 173 93.756 -46.817 -61.809 1.00 0.00 O ATOM 3698 C1* A B 173 92.817 -48.582 -60.542 1.00 0.00 C ATOM 3699 N9 A B 173 91.699 -48.876 -59.603 1.00 0.00 N ATOM 3700 C8 A B 173 91.727 -49.554 -58.408 1.00 0.00 C ATOM 3701 N7 A B 173 90.571 -49.642 -57.823 1.00 0.00 N ATOM 3702 C5 A B 173 89.710 -48.978 -58.684 1.00 0.00 C ATOM 3703 C6 A B 173 88.330 -48.721 -58.632 1.00 0.00 C ATOM 3704 N6 A B 173 87.542 -49.122 -57.625 1.00 0.00 N ATOM 3705 N1 A B 173 87.790 -48.032 -59.653 1.00 0.00 N ATOM 3706 C2 A B 173 88.578 -47.635 -60.650 1.00 0.00 C ATOM 3707 N3 A B 173 89.873 -47.817 -60.806 1.00 0.00 N ATOM 3708 C4 A B 173 90.388 -48.507 -59.771 1.00 0.00 C ATOM 3709 P U B 174 95.226 -44.848 -58.676 1.00 0.00 P ATOM 3710 O1P U B 174 96.469 -44.044 -58.751 1.00 0.00 O ATOM 3711 O2P U B 174 94.828 -45.295 -57.324 1.00 0.00 O ATOM 3712 O5* U B 174 94.023 -44.047 -59.359 1.00 0.00 O ATOM 3713 C5* U B 174 94.164 -43.598 -60.720 1.00 0.00 C ATOM 3714 C4* U B 174 92.865 -42.976 -61.197 1.00 0.00 C ATOM 3715 O4* U B 174 91.856 -44.021 -61.304 1.00 0.00 O ATOM 3716 C3* U B 174 92.235 -41.945 -60.262 1.00 0.00 C ATOM 3717 O3* U B 174 92.784 -40.681 -60.450 1.00 0.00 O ATOM 3718 C2* U B 174 90.761 -42.012 -60.664 1.00 0.00 C ATOM 3719 O2* U B 174 90.542 -41.332 -61.888 1.00 0.00 O ATOM 3720 C1* U B 174 90.584 -43.499 -60.945 1.00 0.00 C ATOM 3721 N1 U B 174 90.082 -44.274 -59.776 1.00 0.00 N ATOM 3722 C2 U B 174 88.758 -44.124 -59.449 1.00 0.00 C ATOM 3723 O2 U B 174 88.000 -43.395 -60.069 1.00 0.00 O ATOM 3724 N3 U B 174 88.328 -44.858 -58.361 1.00 0.00 N ATOM 3725 C4 U B 174 89.095 -45.710 -57.593 1.00 0.00 C ATOM 3726 O4 U B 174 88.597 -46.313 -56.639 1.00 0.00 O ATOM 3727 C5 U B 174 90.472 -45.800 -58.013 1.00 0.00 C ATOM 3728 C6 U B 174 90.919 -45.098 -59.065 1.00 0.00 C ATOM 3729 P G B 175 92.932 -39.690 -59.161 1.00 0.00 P ATOM 3730 O1P G B 175 93.850 -38.572 -59.476 1.00 0.00 O ATOM 3731 O2P G B 175 93.274 -40.487 -57.961 1.00 0.00 O ATOM 3732 O5* G B 175 91.434 -39.136 -59.038 1.00 0.00 O ATOM 3733 C5* G B 175 90.866 -38.404 -60.137 1.00 0.00 C ATOM 3734 C4* G B 175 89.411 -38.092 -59.855 1.00 0.00 C ATOM 3735 O4* G B 175 88.651 -39.334 -59.859 1.00 0.00 O ATOM 3736 C3* G B 175 89.115 -37.479 -58.482 1.00 0.00 C ATOM 3737 O3* G B 175 89.306 -36.102 -58.482 1.00 0.00 O ATOM 3738 C2* G B 175 87.656 -37.875 -58.265 1.00 0.00 C ATOM 3739 O2* G B 175 86.793 -37.057 -59.036 1.00 0.00 O ATOM 3740 C1* G B 175 87.617 -39.268 -58.888 1.00 0.00 C ATOM 3741 N9 G B 175 87.837 -40.368 -57.906 1.00 0.00 N ATOM 3742 C8 G B 175 88.951 -41.159 -57.720 1.00 0.00 C ATOM 3743 N7 G B 175 88.821 -42.044 -56.761 1.00 0.00 N ATOM 3744 C5 G B 175 87.532 -41.825 -56.281 1.00 0.00 C ATOM 3745 C6 G B 175 86.821 -42.478 -55.241 1.00 0.00 C ATOM 3746 O6 G B 175 87.188 -43.401 -54.520 1.00 0.00 O ATOM 3747 N1 G B 175 85.535 -41.942 -55.086 1.00 0.00 N ATOM 3748 C2 G B 175 85.007 -40.907 -55.830 1.00 0.00 C ATOM 3749 N2 G B 175 83.760 -40.540 -55.525 1.00 0.00 N ATOM 3750 N3 G B 175 85.673 -40.293 -56.804 1.00 0.00 N ATOM 3751 C4 G B 175 86.924 -40.806 -56.972 1.00 0.00 C ATOM 3752 P A B 176 89.859 -35.384 -57.125 1.00 0.00 P ATOM 3753 O1P A B 176 90.337 -34.018 -57.427 1.00 0.00 O ATOM 3754 O2P A B 176 90.834 -36.275 -56.461 1.00 0.00 O ATOM 3755 O5* A B 176 88.516 -35.310 -56.260 1.00 0.00 O ATOM 3756 C5* A B 176 87.397 -34.561 -56.770 1.00 0.00 C ATOM 3757 C4* A B 176 86.199 -34.728 -55.853 1.00 0.00 C ATOM 3758 O4* A B 176 85.736 -36.107 -55.928 1.00 0.00 O ATOM 3759 C3* A B 176 86.465 -34.510 -54.362 1.00 0.00 C ATOM 3760 O3* A B 176 86.408 -33.159 -54.025 1.00 0.00 O ATOM 3761 C2* A B 176 85.353 -35.328 -53.715 1.00 0.00 C ATOM 3762 O2* A B 176 84.112 -34.648 -53.800 1.00 0.00 O ATOM 3763 C1* A B 176 85.265 -36.526 -54.657 1.00 0.00 C ATOM 3764 N9 A B 176 86.084 -37.693 -54.223 1.00 0.00 N ATOM 3765 C8 A B 176 87.273 -38.157 -54.740 1.00 0.00 C ATOM 3766 N7 A B 176 87.737 -39.203 -54.131 1.00 0.00 N ATOM 3767 C5 A B 176 86.801 -39.460 -53.140 1.00 0.00 C ATOM 3768 C6 A B 176 86.718 -40.449 -52.145 1.00 0.00 C ATOM 3769 N6 A B 176 87.638 -41.410 -51.982 1.00 0.00 N ATOM 3770 N1 A B 176 85.652 -40.413 -51.323 1.00 0.00 N ATOM 3771 C2 A B 176 84.744 -39.454 -51.492 1.00 0.00 C ATOM 3772 N3 A B 176 84.715 -38.483 -52.380 1.00 0.00 N ATOM 3773 C4 A B 176 85.793 -38.540 -53.188 1.00 0.00 C ATOM 3774 P G B 177 85.700 -32.308 -52.553 1.00 0.00 P ATOM 3775 O1P G B 177 86.675 -31.296 -52.083 1.00 0.00 O ATOM 3776 O2P G B 177 85.186 -33.233 -51.517 1.00 0.00 O ATOM 3777 O5* G B 177 84.375 -31.432 -53.483 1.00 0.00 O ATOM 3778 C5* G B 177 83.586 -30.510 -54.314 1.00 0.00 C ATOM 3779 C4* G B 177 83.537 -31.065 -55.866 1.00 0.00 C ATOM 3780 O4* G B 177 82.490 -30.987 -56.873 1.00 0.00 O ATOM 3781 C3* G B 177 84.243 -32.392 -56.169 1.00 0.00 C ATOM 3782 O3* G B 177 85.718 -32.416 -56.647 1.00 0.00 O ATOM 3783 C2* G B 177 83.079 -33.274 -56.620 1.00 0.00 C ATOM 3784 O2* G B 177 82.322 -33.709 -55.503 1.00 0.00 O ATOM 3785 C1* G B 177 82.215 -32.283 -57.387 1.00 0.00 C ATOM 3786 N9 G B 177 82.489 -32.260 -59.095 1.00 0.00 N ATOM 3787 C8 G B 177 83.200 -33.149 -59.878 1.00 0.00 C ATOM 3788 N7 G B 177 83.255 -32.815 -61.147 1.00 0.00 N ATOM 3789 C5 G B 177 82.537 -31.627 -61.209 1.00 0.00 C ATOM 3790 C6 G B 177 82.247 -30.787 -62.317 1.00 0.00 C ATOM 3791 O6 G B 177 82.578 -30.926 -63.491 1.00 0.00 O ATOM 3792 N1 G B 177 81.481 -29.679 -61.939 1.00 0.00 N ATOM 3793 C2 G B 177 81.050 -29.412 -60.650 1.00 0.00 C ATOM 3794 N2 G B 177 80.329 -28.300 -60.495 1.00 0.00 N ATOM 3795 N3 G B 177 81.321 -30.195 -59.614 1.00 0.00 N ATOM 3796 C4 G B 177 82.060 -31.275 -59.964 1.00 0.00 C ATOM 3797 P G B 178 86.761 -30.974 -56.202 1.00 0.00 P ATOM 3798 O1P G B 178 88.189 -31.356 -56.182 1.00 0.00 O ATOM 3799 O2P G B 178 86.273 -30.225 -55.021 1.00 0.00 O ATOM 3800 O5* G B 178 86.314 -30.138 -57.756 1.00 0.00 O ATOM 3801 C5* G B 178 87.100 -29.936 -58.936 1.00 0.00 C ATOM 3802 C4* G B 178 88.316 -31.013 -59.062 1.00 0.00 C ATOM 3803 O4* G B 178 87.947 -32.410 -59.227 1.00 0.00 O ATOM 3804 C3* G B 178 89.452 -30.809 -60.063 1.00 0.00 C ATOM 3805 O3* G B 178 90.177 -29.476 -59.765 1.00 0.00 O ATOM 3806 C2* G B 178 90.180 -32.148 -60.001 1.00 0.00 C ATOM 3807 O2* G B 178 90.968 -32.236 -58.824 1.00 0.00 O ATOM 3808 C1* G B 178 89.022 -33.125 -59.831 1.00 0.00 C ATOM 3809 N9 G B 178 88.450 -33.824 -61.301 1.00 0.00 N ATOM 3810 C8 G B 178 89.029 -33.815 -62.556 1.00 0.00 C ATOM 3811 N7 G B 178 88.297 -34.382 -63.478 1.00 0.00 N ATOM 3812 C5 G B 178 87.154 -34.790 -62.797 1.00 0.00 C ATOM 3813 C6 G B 178 85.997 -35.462 -63.269 1.00 0.00 C ATOM 3814 O6 G B 178 85.738 -35.845 -64.406 1.00 0.00 O ATOM 3815 N1 G B 178 85.077 -35.687 -62.236 1.00 0.00 N ATOM 3816 C2 G B 178 85.249 -35.309 -60.917 1.00 0.00 C ATOM 3817 N2 G B 178 84.252 -35.610 -60.080 1.00 0.00 N ATOM 3818 N3 G B 178 86.333 -34.676 -60.477 1.00 0.00 N ATOM 3819 C4 G B 178 87.235 -34.453 -61.468 1.00 0.00 C ATOM 3820 P C B 179 91.973 -29.299 -59.503 1.00 0.00 P ATOM 3821 O1P C B 179 92.728 -29.854 -60.649 1.00 0.00 O ATOM 3822 O2P C B 179 92.472 -29.682 -58.158 1.00 0.00 O ATOM 3823 O5* C B 179 91.703 -27.496 -59.630 1.00 0.00 O ATOM 3824 C5* C B 179 90.923 -26.607 -60.488 1.00 0.00 C ATOM 3825 C4* C B 179 91.138 -27.063 -62.019 1.00 0.00 C ATOM 3826 O4* C B 179 91.575 -28.436 -62.226 1.00 0.00 O ATOM 3827 C3* C B 179 90.647 -26.627 -63.398 1.00 0.00 C ATOM 3828 O3* C B 179 89.758 -25.425 -63.849 1.00 0.00 O ATOM 3829 C2* C B 179 91.628 -27.336 -64.328 1.00 0.00 C ATOM 3830 O2* C B 179 92.878 -26.672 -64.344 1.00 0.00 O ATOM 3831 C1* C B 179 91.839 -28.660 -63.603 1.00 0.00 C ATOM 3832 N1 C B 179 90.851 -29.916 -64.135 1.00 0.00 N ATOM 3833 C2 C B 179 91.031 -30.372 -65.435 1.00 0.00 C ATOM 3834 O2 C B 179 91.884 -29.831 -66.152 1.00 0.00 O ATOM 3835 N3 C B 179 90.249 -31.396 -65.878 1.00 0.00 N ATOM 3836 C4 C B 179 89.334 -31.952 -65.077 1.00 0.00 C ATOM 3837 N4 C B 179 88.605 -32.948 -65.556 1.00 0.00 N ATOM 3838 C5 C B 179 89.139 -31.494 -63.734 1.00 0.00 C ATOM 3839 C6 C B 179 89.924 -30.469 -63.316 1.00 0.00 C ATOM 3840 P G B 180 88.338 -25.795 -65.017 1.00 0.00 P ATOM 3841 O1P G B 180 87.074 -25.806 -64.243 1.00 0.00 O ATOM 3842 O2P G B 180 88.644 -27.027 -65.781 1.00 0.00 O ATOM 3843 O5* G B 180 88.291 -24.347 -66.202 1.00 0.00 O ATOM 3844 C5* G B 180 87.655 -24.090 -67.538 1.00 0.00 C ATOM 3845 C4* G B 180 87.205 -22.566 -68.026 1.00 0.00 C ATOM 3846 O4* G B 180 87.928 -21.521 -67.323 1.00 0.00 O ATOM 3847 C3* G B 180 87.086 -22.034 -69.458 1.00 0.00 C ATOM 3848 O3* G B 180 87.085 -22.627 -70.880 1.00 0.00 O ATOM 3849 C2* G B 180 86.903 -20.539 -69.223 1.00 0.00 C ATOM 3850 O2* G B 180 85.580 -20.249 -68.800 1.00 0.00 O ATOM 3851 C1* G B 180 87.819 -20.295 -68.032 1.00 0.00 C ATOM 3852 N9 G B 180 89.413 -19.762 -68.444 1.00 0.00 N ATOM 3853 C8 G B 180 90.437 -20.468 -69.041 1.00 0.00 C ATOM 3854 N7 G B 180 91.582 -19.827 -69.069 1.00 0.00 N ATOM 3855 C5 G B 180 91.296 -18.614 -68.438 1.00 0.00 C ATOM 3856 C6 G B 180 92.142 -17.508 -68.165 1.00 0.00 C ATOM 3857 O6 G B 180 93.334 -17.367 -68.423 1.00 0.00 O ATOM 3858 N1 G B 180 91.446 -16.482 -67.511 1.00 0.00 N ATOM 3859 C2 G B 180 90.108 -16.522 -67.164 1.00 0.00 C ATOM 3860 N2 G B 180 89.629 -15.438 -66.549 1.00 0.00 N ATOM 3861 N3 G B 180 89.318 -17.558 -67.421 1.00 0.00 N ATOM 3862 C4 G B 180 89.976 -18.566 -68.058 1.00 0.00 C ATOM 3863 P A B 181 88.105 -21.668 -72.106 1.00 0.00 P ATOM 3864 O1P A B 181 89.353 -22.427 -72.328 1.00 0.00 O ATOM 3865 O2P A B 181 88.276 -20.242 -71.742 1.00 0.00 O ATOM 3866 O5* A B 181 86.973 -21.708 -73.553 1.00 0.00 O ATOM 3867 C5* A B 181 86.434 -21.359 -74.858 1.00 0.00 C ATOM 3868 C4* A B 181 86.745 -19.944 -75.601 1.00 0.00 C ATOM 3869 O4* A B 181 87.134 -18.757 -74.843 1.00 0.00 O ATOM 3870 C3* A B 181 87.014 -19.554 -77.057 1.00 0.00 C ATOM 3871 O3* A B 181 87.054 -20.379 -78.358 1.00 0.00 O ATOM 3872 C2* A B 181 86.636 -18.074 -77.067 1.00 0.00 C ATOM 3873 O2* A B 181 85.227 -17.913 -77.068 1.00 0.00 O ATOM 3874 C1* A B 181 87.130 -17.624 -75.698 1.00 0.00 C ATOM 3875 N9 A B 181 88.671 -16.953 -75.695 1.00 0.00 N ATOM 3876 C8 A B 181 89.684 -17.131 -76.612 1.00 0.00 C ATOM 3877 N7 A B 181 90.704 -16.355 -76.424 1.00 0.00 N ATOM 3878 C5 A B 181 90.357 -15.604 -75.310 1.00 0.00 C ATOM 3879 C6 A B 181 91.023 -14.586 -74.603 1.00 0.00 C ATOM 3880 N6 A B 181 92.242 -14.139 -74.934 1.00 0.00 N ATOM 3881 N1 A B 181 90.394 -14.053 -73.549 1.00 0.00 N ATOM 3882 C2 A B 181 89.181 -14.503 -73.225 1.00 0.00 C ATOM 3883 N3 A B 181 88.462 -15.440 -73.807 1.00 0.00 N ATOM 3884 C4 A B 181 89.119 -15.959 -74.861 1.00 0.00 C ATOM 3885 P A B 182 85.674 -20.211 -79.586 1.00 0.00 P ATOM 3886 O1P A B 182 84.592 -19.380 -79.014 1.00 0.00 O ATOM 3887 O2P A B 182 85.275 -21.548 -80.075 1.00 0.00 O ATOM 3888 O5* A B 182 86.502 -19.458 -81.063 1.00 0.00 O ATOM 3889 C5* A B 182 86.162 -19.799 -82.469 1.00 0.00 C ATOM 3890 C4* A B 182 84.567 -19.602 -82.898 1.00 0.00 C ATOM 3891 O4* A B 182 83.868 -18.899 -81.830 1.00 0.00 O ATOM 3892 C3* A B 182 84.126 -18.871 -84.169 1.00 0.00 C ATOM 3893 O3* A B 182 84.154 -19.773 -85.466 1.00 0.00 O ATOM 3894 C2* A B 182 82.674 -18.522 -83.851 1.00 0.00 C ATOM 3895 O2* A B 182 81.842 -19.665 -83.974 1.00 0.00 O ATOM 3896 C1* A B 182 82.750 -18.197 -82.360 1.00 0.00 C ATOM 3897 N9 A B 182 82.936 -16.559 -82.005 1.00 0.00 N ATOM 3898 C8 A B 182 84.049 -15.911 -81.521 1.00 0.00 C ATOM 3899 N7 A B 182 83.837 -14.679 -81.184 1.00 0.00 N ATOM 3900 C5 A B 182 82.489 -14.483 -81.456 1.00 0.00 C ATOM 3901 C6 A B 182 81.649 -13.368 -81.312 1.00 0.00 C ATOM 3902 N6 A B 182 82.055 -12.185 -80.835 1.00 0.00 N ATOM 3903 N1 A B 182 80.359 -13.516 -81.678 1.00 0.00 N ATOM 3904 C2 A B 182 79.958 -14.699 -82.153 1.00 0.00 C ATOM 3905 N3 A B 182 80.647 -15.799 -82.328 1.00 0.00 N ATOM 3906 C4 A B 182 81.932 -15.624 -81.957 1.00 0.00 C ATOM 3907 P C B 183 85.295 -19.359 -86.859 1.00 0.00 P ATOM 3908 O1P C B 183 86.538 -20.169 -86.778 1.00 0.00 O ATOM 3909 O2P C B 183 85.482 -17.893 -86.910 1.00 0.00 O ATOM 3910 O5* C B 183 84.284 -19.958 -88.303 1.00 0.00 O ATOM 3911 C5* C B 183 84.020 -20.083 -89.779 1.00 0.00 C ATOM 3912 C4* C B 183 84.069 -18.603 -90.551 1.00 0.00 C ATOM 3913 O4* C B 183 84.760 -17.835 -89.523 1.00 0.00 O ATOM 3914 C3* C B 183 84.699 -18.125 -91.859 1.00 0.00 C ATOM 3915 O3* C B 183 83.706 -18.045 -93.149 1.00 0.00 O ATOM 3916 C2* C B 183 84.942 -16.645 -91.573 1.00 0.00 C ATOM 3917 O2* C B 183 83.731 -15.911 -91.660 1.00 0.00 O ATOM 3918 C1* C B 183 85.341 -16.677 -90.101 1.00 0.00 C ATOM 3919 N1 C B 183 87.050 -16.725 -89.816 1.00 0.00 N ATOM 3920 C2 C B 183 87.765 -15.542 -89.977 1.00 0.00 C ATOM 3921 O2 C B 183 87.166 -14.521 -90.335 1.00 0.00 O ATOM 3922 N3 C B 183 89.103 -15.552 -89.730 1.00 0.00 N ATOM 3923 C4 C B 183 89.717 -16.679 -89.345 1.00 0.00 C ATOM 3924 N4 C B 183 91.021 -16.632 -89.117 1.00 0.00 N ATOM 3925 C5 C B 183 88.998 -17.903 -89.173 1.00 0.00 C ATOM 3926 C6 C B 183 87.663 -17.873 -89.423 1.00 0.00 C ATOM 3927 P C B 184 83.901 -17.385 -94.943 1.00 0.00 P ATOM 3928 O1P C B 184 82.755 -18.015 -95.633 1.00 0.00 O ATOM 3929 O2P C B 184 85.241 -17.733 -95.466 1.00 0.00 O ATOM 3930 O5* C B 184 83.719 -15.794 -94.935 1.00 0.00 O ATOM 3931 C5* C B 184 84.683 -14.978 -95.626 1.00 0.00 C ATOM 3932 C4* C B 184 84.252 -13.526 -95.595 1.00 0.00 C ATOM 3933 O4* C B 184 83.053 -13.374 -96.406 1.00 0.00 O ATOM 3934 C3* C B 184 83.841 -12.982 -94.226 1.00 0.00 C ATOM 3935 O3* C B 184 84.950 -12.562 -93.492 1.00 0.00 O ATOM 3936 C2* C B 184 82.912 -11.830 -94.603 1.00 0.00 C ATOM 3937 O2* C B 184 83.656 -10.710 -95.051 1.00 0.00 O ATOM 3938 C1* C B 184 82.196 -12.401 -95.824 1.00 0.00 C ATOM 3939 N1 C B 184 80.901 -13.062 -95.502 1.00 0.00 N ATOM 3940 C2 C B 184 79.816 -12.245 -95.188 1.00 0.00 C ATOM 3941 O2 C B 184 79.974 -11.019 -95.190 1.00 0.00 O ATOM 3942 N3 C B 184 78.626 -12.828 -94.892 1.00 0.00 N ATOM 3943 C4 C B 184 78.496 -14.161 -94.903 1.00 0.00 C ATOM 3944 N4 C B 184 77.315 -14.678 -94.606 1.00 0.00 N ATOM 3945 C5 C B 184 79.601 -15.017 -95.222 1.00 0.00 C ATOM 3946 C6 C B 184 80.778 -14.417 -95.516 1.00 0.00 C ATOM 3947 P G B 185 84.927 -12.736 -91.869 1.00 0.00 P ATOM 3948 O1P G B 185 86.292 -12.583 -91.317 1.00 0.00 O ATOM 3949 O2P G B 185 84.228 -13.990 -91.518 1.00 0.00 O ATOM 3950 O5* G B 185 84.028 -11.480 -91.444 1.00 0.00 O ATOM 3951 C5* G B 185 84.481 -10.156 -91.772 1.00 0.00 C ATOM 3952 C4* G B 185 83.429 -9.137 -91.389 1.00 0.00 C ATOM 3953 O4* G B 185 82.266 -9.310 -92.254 1.00 0.00 O ATOM 3954 C3* G B 185 82.856 -9.266 -89.977 1.00 0.00 C ATOM 3955 O3* G B 185 83.663 -8.627 -89.038 1.00 0.00 O ATOM 3956 C2* G B 185 81.487 -8.606 -90.124 1.00 0.00 C ATOM 3957 O2* G B 185 81.611 -7.194 -90.160 1.00 0.00 O ATOM 3958 C1* G B 185 81.080 -9.051 -91.525 1.00 0.00 C ATOM 3959 N9 G B 185 80.247 -10.287 -91.542 1.00 0.00 N ATOM 3960 C8 G B 185 80.599 -11.566 -91.910 1.00 0.00 C ATOM 3961 N7 G B 185 79.624 -12.438 -91.809 1.00 0.00 N ATOM 3962 C5 G B 185 78.550 -11.680 -91.341 1.00 0.00 C ATOM 3963 C6 G B 185 77.222 -12.069 -91.039 1.00 0.00 C ATOM 3964 O6 G B 185 76.705 -13.182 -91.123 1.00 0.00 O ATOM 3965 N1 G B 185 76.458 -10.980 -90.594 1.00 0.00 N ATOM 3966 C2 G B 185 76.920 -9.687 -90.458 1.00 0.00 C ATOM 3967 N2 G B 185 76.033 -8.790 -90.015 1.00 0.00 N ATOM 3968 N3 G B 185 78.168 -9.321 -90.743 1.00 0.00 N ATOM 3969 C4 G B 185 78.922 -10.367 -91.175 1.00 0.00 C ATOM 3970 P G B 186 83.776 -9.262 -87.539 1.00 0.00 P ATOM 3971 O1P G B 186 84.932 -8.681 -86.822 1.00 0.00 O ATOM 3972 O2P G B 186 83.753 -10.739 -87.627 1.00 0.00 O ATOM 3973 O5* G B 186 82.413 -8.740 -86.887 1.00 0.00 O ATOM 3974 C5* G B 186 82.189 -7.320 -86.787 1.00 0.00 C ATOM 3975 C4* G B 186 80.794 -7.052 -86.258 1.00 0.00 C ATOM 3976 O4* G B 186 79.823 -7.468 -87.258 1.00 0.00 O ATOM 3977 C3* G B 186 80.395 -7.836 -85.007 1.00 0.00 C ATOM 3978 O3* G B 186 80.841 -7.208 -83.846 1.00 0.00 O ATOM 3979 C2* G B 186 78.871 -7.852 -85.115 1.00 0.00 C ATOM 3980 O2* G B 186 78.324 -6.598 -84.750 1.00 0.00 O ATOM 3981 C1* G B 186 78.671 -8.000 -86.621 1.00 0.00 C ATOM 3982 N9 G B 186 78.509 -9.409 -87.069 1.00 0.00 N ATOM 3983 C8 G B 186 79.402 -10.222 -87.733 1.00 0.00 C ATOM 3984 N7 G B 186 78.948 -11.426 -87.984 1.00 0.00 N ATOM 3985 C5 G B 186 77.660 -11.410 -87.447 1.00 0.00 C ATOM 3986 C6 G B 186 76.672 -12.430 -87.412 1.00 0.00 C ATOM 3987 O6 G B 186 76.729 -13.573 -87.854 1.00 0.00 O ATOM 3988 N1 G B 186 75.505 -11.987 -86.771 1.00 0.00 N ATOM 3989 C2 G B 186 75.319 -10.730 -86.234 1.00 0.00 C ATOM 3990 N2 G B 186 74.132 -10.507 -85.662 1.00 0.00 N ATOM 3991 N3 G B 186 76.245 -9.774 -86.268 1.00 0.00 N ATOM 3992 C4 G B 186 77.384 -10.186 -86.886 1.00 0.00 C ATOM 3993 P G B 187 81.286 -8.134 -82.576 1.00 0.00 P ATOM 3994 O1P G B 187 82.060 -7.330 -81.602 1.00 0.00 O ATOM 3995 O2P G B 187 81.946 -9.364 -83.071 1.00 0.00 O ATOM 3996 O5* G B 187 79.855 -8.500 -81.957 1.00 0.00 O ATOM 3997 C5* G B 187 79.001 -7.435 -81.498 1.00 0.00 C ATOM 3998 C4* G B 187 77.658 -7.996 -81.071 1.00 0.00 C ATOM 3999 O4* G B 187 76.961 -8.490 -82.248 1.00 0.00 O ATOM 4000 C3* G B 187 77.708 -9.205 -80.136 1.00 0.00 C ATOM 4001 O3* G B 187 77.851 -8.817 -78.806 1.00 0.00 O ATOM 4002 C2* G B 187 76.366 -9.878 -80.414 1.00 0.00 C ATOM 4003 O2* G B 187 75.312 -9.177 -79.776 1.00 0.00 O ATOM 4004 C1* G B 187 76.209 -9.648 -81.912 1.00 0.00 C ATOM 4005 N9 G B 187 76.705 -10.777 -82.746 1.00 0.00 N ATOM 4006 C8 G B 187 77.852 -10.861 -83.505 1.00 0.00 C ATOM 4007 N7 G B 187 77.999 -12.008 -84.126 1.00 0.00 N ATOM 4008 C5 G B 187 76.868 -12.737 -83.751 1.00 0.00 C ATOM 4009 C6 G B 187 76.467 -14.048 -84.104 1.00 0.00 C ATOM 4010 O6 G B 187 77.035 -14.856 -84.836 1.00 0.00 O ATOM 4011 N1 G B 187 75.252 -14.392 -83.501 1.00 0.00 N ATOM 4012 C2 G B 187 74.519 -13.574 -82.662 1.00 0.00 C ATOM 4013 N2 G B 187 73.383 -14.090 -82.184 1.00 0.00 N ATOM 4014 N3 G B 187 74.896 -12.343 -82.329 1.00 0.00 N ATOM 4015 C4 G B 187 76.072 -11.992 -82.909 1.00 0.00 C ATOM 4016 P G B 188 78.713 -9.768 -77.799 1.00 0.00 P ATOM 4017 O1P G B 188 79.058 -9.032 -76.565 1.00 0.00 O ATOM 4018 O2P G B 188 79.852 -10.359 -78.535 1.00 0.00 O ATOM 4019 O5* G B 188 77.636 -10.905 -77.464 1.00 0.00 O ATOM 4020 C5* G B 188 76.402 -10.532 -76.828 1.00 0.00 C ATOM 4021 C4* G B 188 75.486 -11.735 -76.721 1.00 0.00 C ATOM 4022 O4* G B 188 75.061 -12.121 -78.060 1.00 0.00 O ATOM 4023 C3* G B 188 76.121 -13.006 -76.157 1.00 0.00 C ATOM 4024 O3* G B 188 76.108 -13.005 -74.762 1.00 0.00 O ATOM 4025 C2* G B 188 75.235 -14.099 -76.754 1.00 0.00 C ATOM 4026 O2* G B 188 73.995 -14.171 -76.067 1.00 0.00 O ATOM 4027 C1* G B 188 74.943 -13.533 -78.137 1.00 0.00 C ATOM 4028 N9 G B 188 75.877 -14.015 -79.192 1.00 0.00 N ATOM 4029 C8 G B 188 76.909 -13.346 -79.812 1.00 0.00 C ATOM 4030 N7 G B 188 77.551 -14.061 -80.706 1.00 0.00 N ATOM 4031 C5 G B 188 76.898 -15.294 -80.670 1.00 0.00 C ATOM 4032 C6 G B 188 77.144 -16.476 -81.415 1.00 0.00 C ATOM 4033 O6 G B 188 77.998 -16.685 -82.271 1.00 0.00 O ATOM 4034 N1 G B 188 76.246 -17.493 -81.066 1.00 0.00 N ATOM 4035 C2 G B 188 75.243 -17.384 -80.122 1.00 0.00 C ATOM 4036 N2 G B 188 74.494 -18.472 -79.931 1.00 0.00 N ATOM 4037 N3 G B 188 75.016 -16.274 -79.423 1.00 0.00 N ATOM 4038 C4 G B 188 75.878 -15.275 -79.751 1.00 0.00 C ATOM 4039 P G B 189 76.987 -11.729 -73.614 1.00 0.00 P ATOM 4040 O1P G B 189 76.156 -11.718 -72.389 1.00 0.00 O ATOM 4041 O2P G B 189 77.077 -10.444 -74.341 1.00 0.00 O ATOM 4042 O5* G B 189 78.664 -12.248 -72.824 1.00 0.00 O ATOM 4043 C5* G B 189 79.596 -13.405 -72.471 1.00 0.00 C ATOM 4044 C4* G B 189 81.010 -13.669 -71.598 1.00 0.00 C ATOM 4045 O4* G B 189 80.861 -14.976 -70.971 1.00 0.00 O ATOM 4046 C3* G B 189 82.492 -13.611 -71.979 1.00 0.00 C ATOM 4047 O3* G B 189 83.293 -12.330 -72.280 1.00 0.00 O ATOM 4048 C2* G B 189 83.147 -14.357 -70.816 1.00 0.00 C ATOM 4049 O2* G B 189 83.206 -13.532 -69.663 1.00 0.00 O ATOM 4050 C1* G B 189 82.120 -15.450 -70.529 1.00 0.00 C ATOM 4051 N9 G B 189 82.435 -16.946 -71.303 1.00 0.00 N ATOM 4052 C8 G B 189 81.547 -17.840 -71.869 1.00 0.00 C ATOM 4053 N7 G B 189 82.102 -18.949 -72.290 1.00 0.00 N ATOM 4054 C5 G B 189 83.455 -18.787 -71.979 1.00 0.00 C ATOM 4055 C6 G B 189 84.555 -19.652 -72.190 1.00 0.00 C ATOM 4056 O6 G B 189 84.564 -20.767 -72.705 1.00 0.00 O ATOM 4057 N1 G B 189 85.749 -19.090 -71.716 1.00 0.00 N ATOM 4058 C2 G B 189 85.865 -17.853 -71.121 1.00 0.00 C ATOM 4059 N2 G B 189 87.094 -17.495 -70.740 1.00 0.00 N ATOM 4060 N3 G B 189 84.834 -17.041 -70.924 1.00 0.00 N ATOM 4061 C4 G B 189 83.661 -17.565 -71.377 1.00 0.00 C ATOM 4062 P A B 190 85.033 -12.616 -72.811 1.00 0.00 P ATOM 4063 O1P A B 190 85.796 -13.427 -71.836 1.00 0.00 O ATOM 4064 O2P A B 190 85.656 -11.331 -73.209 1.00 0.00 O ATOM 4065 O5* A B 190 84.574 -13.637 -74.258 1.00 0.00 O ATOM 4066 C5* A B 190 84.000 -13.846 -75.570 1.00 0.00 C ATOM 4067 C4* A B 190 82.967 -12.616 -75.958 1.00 0.00 C ATOM 4068 O4* A B 190 83.338 -11.261 -75.581 1.00 0.00 O ATOM 4069 C3* A B 190 81.439 -12.612 -75.892 1.00 0.00 C ATOM 4070 O3* A B 190 80.910 -14.172 -75.698 1.00 0.00 O ATOM 4071 C2* A B 190 81.178 -11.693 -74.703 1.00 0.00 C ATOM 4072 O2* A B 190 81.424 -12.368 -73.481 1.00 0.00 O ATOM 4073 C1* A B 190 82.275 -10.650 -74.867 1.00 0.00 C ATOM 4074 N9 A B 190 81.807 -9.260 -75.697 1.00 0.00 N ATOM 4075 C8 A B 190 82.191 -8.835 -76.952 1.00 0.00 C ATOM 4076 N7 A B 190 81.670 -7.701 -77.304 1.00 0.00 N ATOM 4077 C5 A B 190 80.888 -7.337 -76.215 1.00 0.00 C ATOM 4078 C6 A B 190 80.069 -6.225 -75.963 1.00 0.00 C ATOM 4079 N6 A B 190 79.901 -5.220 -76.839 1.00 0.00 N ATOM 4080 N1 A B 190 79.432 -6.177 -74.781 1.00 0.00 N ATOM 4081 C2 A B 190 79.603 -7.176 -73.918 1.00 0.00 C ATOM 4082 N3 A B 190 80.336 -8.264 -74.038 1.00 0.00 N ATOM 4083 C4 A B 190 80.964 -8.286 -75.236 1.00 0.00 C ATOM 4084 P A B 191 78.966 -14.374 -75.589 1.00 0.00 P ATOM 4085 O1P A B 191 78.682 -13.712 -76.881 1.00 0.00 O ATOM 4086 O2P A B 191 78.683 -13.571 -74.377 1.00 0.00 O ATOM 4087 O5* A B 191 78.183 -15.769 -75.512 1.00 0.00 O ATOM 4088 C5* A B 191 76.844 -15.789 -74.980 1.00 0.00 C ATOM 4089 C4* A B 191 76.254 -17.178 -75.120 1.00 0.00 C ATOM 4090 O4* A B 191 76.051 -17.466 -76.533 1.00 0.00 O ATOM 4091 C3* A B 191 77.138 -18.329 -74.630 1.00 0.00 C ATOM 4092 O3* A B 191 77.010 -18.523 -73.257 1.00 0.00 O ATOM 4093 C2* A B 191 76.606 -19.505 -75.446 1.00 0.00 C ATOM 4094 O2* A B 191 75.370 -19.962 -74.921 1.00 0.00 O ATOM 4095 C1* A B 191 76.297 -18.840 -76.784 1.00 0.00 C ATOM 4096 N9 A B 191 77.409 -18.936 -77.770 1.00 0.00 N ATOM 4097 C8 A B 191 78.284 -17.960 -78.187 1.00 0.00 C ATOM 4098 N7 A B 191 79.147 -18.369 -79.064 1.00 0.00 N ATOM 4099 C5 A B 191 78.833 -19.704 -79.250 1.00 0.00 C ATOM 4100 C6 A B 191 79.388 -20.707 -80.064 1.00 0.00 C ATOM 4101 N6 A B 191 80.427 -20.501 -80.885 1.00 0.00 N ATOM 4102 N1 A B 191 78.832 -21.932 -80.005 1.00 0.00 N ATOM 4103 C2 A B 191 77.801 -22.131 -79.188 1.00 0.00 C ATOM 4104 N3 A B 191 77.201 -21.278 -78.386 1.00 0.00 N ATOM 4105 C4 A B 191 77.775 -20.061 -78.464 1.00 0.00 C ATOM 4106 P C B 192 78.314 -19.022 -72.413 1.00 0.00 P ATOM 4107 O1P C B 192 78.092 -18.818 -70.962 1.00 0.00 O ATOM 4108 O2P C B 192 79.532 -18.396 -72.971 1.00 0.00 O ATOM 4109 O5* C B 192 78.307 -20.588 -72.744 1.00 0.00 O ATOM 4110 C5* C B 192 77.164 -21.375 -72.368 1.00 0.00 C ATOM 4111 C4* C B 192 77.317 -22.792 -72.888 1.00 0.00 C ATOM 4112 O4* C B 192 77.234 -22.772 -74.342 1.00 0.00 O ATOM 4113 C3* C B 192 78.659 -23.466 -72.604 1.00 0.00 C ATOM 4114 O3* C B 192 78.686 -24.040 -71.334 1.00 0.00 O ATOM 4115 C2* C B 192 78.740 -24.501 -73.722 1.00 0.00 C ATOM 4116 O2* C B 192 77.899 -25.609 -73.443 1.00 0.00 O ATOM 4117 C1* C B 192 78.107 -23.747 -74.886 1.00 0.00 C ATOM 4118 N1 C B 192 79.096 -23.048 -75.756 1.00 0.00 N ATOM 4119 C2 C B 192 79.870 -23.824 -76.614 1.00 0.00 C ATOM 4120 O2 C B 192 79.703 -25.051 -76.623 1.00 0.00 O ATOM 4121 N3 C B 192 80.776 -23.206 -77.412 1.00 0.00 N ATOM 4122 C4 C B 192 80.924 -21.875 -77.375 1.00 0.00 C ATOM 4123 N4 C B 192 81.823 -21.321 -78.173 1.00 0.00 N ATOM 4124 C5 C B 192 80.139 -21.059 -76.497 1.00 0.00 C ATOM 4125 C6 C B 192 79.238 -21.697 -75.707 1.00 0.00 C ATOM 4126 P U B 193 80.093 -24.055 -70.509 1.00 0.00 P ATOM 4127 O1P U B 193 79.846 -24.357 -69.081 1.00 0.00 O ATOM 4128 O2P U B 193 80.839 -22.806 -70.784 1.00 0.00 O ATOM 4129 O5* U B 193 80.835 -25.290 -71.202 1.00 0.00 O ATOM 4130 C5* U B 193 80.231 -26.597 -71.135 1.00 0.00 C ATOM 4131 C4* U B 193 81.033 -27.582 -71.962 1.00 0.00 C ATOM 4132 O4* U B 193 80.906 -27.234 -73.369 1.00 0.00 O ATOM 4133 C3* U B 193 82.544 -27.583 -71.715 1.00 0.00 C ATOM 4134 O3* U B 193 82.881 -28.377 -70.623 1.00 0.00 O ATOM 4135 C2* U B 193 83.081 -28.131 -73.034 1.00 0.00 C ATOM 4136 O2* U B 193 82.889 -29.535 -73.111 1.00 0.00 O ATOM 4137 C1* U B 193 82.126 -27.500 -74.042 1.00 0.00 C ATOM 4138 N1 U B 193 82.626 -26.221 -74.618 1.00 0.00 N ATOM 4139 C2 U B 193 83.636 -26.303 -75.544 1.00 0.00 C ATOM 4140 O2 U B 193 84.125 -27.362 -75.901 1.00 0.00 O ATOM 4141 N3 U B 193 84.073 -25.097 -76.057 1.00 0.00 N ATOM 4142 C4 U B 193 83.593 -23.847 -75.727 1.00 0.00 C ATOM 4143 O4 U B 193 84.062 -22.835 -76.252 1.00 0.00 O ATOM 4144 C5 U B 193 82.534 -23.861 -74.748 1.00 0.00 C ATOM 4145 C6 U B 193 82.090 -25.020 -74.233 1.00 0.00 C ATOM 4146 P G B 194 83.874 -28.243 -69.153 1.00 0.00 P ATOM 4147 O1P G B 194 83.511 -29.092 -67.998 1.00 0.00 O ATOM 4148 O2P G B 194 84.365 -26.887 -68.826 1.00 0.00 O ATOM 4149 O5* G B 194 84.946 -29.002 -70.069 1.00 0.00 O ATOM 4150 C5* G B 194 84.630 -30.310 -70.578 1.00 0.00 C ATOM 4151 C4* G B 194 85.724 -30.782 -71.511 1.00 0.00 C ATOM 4152 O4* G B 194 85.711 -29.953 -72.709 1.00 0.00 O ATOM 4153 C3* G B 194 87.155 -30.648 -70.986 1.00 0.00 C ATOM 4154 O3* G B 194 87.509 -31.734 -70.189 1.00 0.00 O ATOM 4155 C2* G B 194 87.965 -30.574 -72.277 1.00 0.00 C ATOM 4156 O2* G B 194 88.087 -31.857 -72.868 1.00 0.00 O ATOM 4157 C1* G B 194 87.037 -29.760 -73.176 1.00 0.00 C ATOM 4158 N9 G B 194 87.324 -28.299 -73.167 1.00 0.00 N ATOM 4159 C8 G B 194 86.618 -27.278 -72.561 1.00 0.00 C ATOM 4160 N7 G B 194 87.143 -26.089 -72.743 1.00 0.00 N ATOM 4161 C5 G B 194 88.276 -26.339 -73.521 1.00 0.00 C ATOM 4162 C6 G B 194 89.245 -25.445 -74.035 1.00 0.00 C ATOM 4163 O6 G B 194 89.311 -24.225 -73.910 1.00 0.00 O ATOM 4164 N1 G B 194 90.227 -26.122 -74.773 1.00 0.00 N ATOM 4165 C2 G B 194 90.263 -27.486 -74.984 1.00 0.00 C ATOM 4166 N2 G B 194 91.286 -27.939 -75.716 1.00 0.00 N ATOM 4167 N3 G B 194 89.352 -28.327 -74.500 1.00 0.00 N ATOM 4168 C4 G B 194 88.392 -27.686 -73.782 1.00 0.00 C ATOM 4169 P A B 195 88.516 -31.485 -68.928 1.00 0.00 P ATOM 4170 O1P A B 195 88.481 -32.646 -68.008 1.00 0.00 O ATOM 4171 O2P A B 195 88.223 -30.168 -68.317 1.00 0.00 O ATOM 4172 O5* A B 195 89.929 -31.434 -69.678 1.00 0.00 O ATOM 4173 C5* A B 195 90.369 -32.585 -70.419 1.00 0.00 C ATOM 4174 C4* A B 195 91.662 -32.273 -71.144 1.00 0.00 C ATOM 4175 O4* A B 195 91.391 -31.296 -72.190 1.00 0.00 O ATOM 4176 C3* A B 195 92.757 -31.619 -70.301 1.00 0.00 C ATOM 4177 O3* A B 195 93.500 -32.569 -69.602 1.00 0.00 O ATOM 4178 C2* A B 195 93.580 -30.888 -71.359 1.00 0.00 C ATOM 4179 O2* A B 195 94.397 -31.797 -72.078 1.00 0.00 O ATOM 4180 C1* A B 195 92.497 -30.413 -72.321 1.00 0.00 C ATOM 4181 N9 A B 195 92.017 -29.030 -72.044 1.00 0.00 N ATOM 4182 C8 A B 195 90.829 -28.621 -71.479 1.00 0.00 C ATOM 4183 N7 A B 195 90.710 -27.334 -71.374 1.00 0.00 N ATOM 4184 C5 A B 195 91.898 -26.845 -71.905 1.00 0.00 C ATOM 4185 C6 A B 195 92.391 -25.540 -72.083 1.00 0.00 C ATOM 4186 N6 A B 195 91.713 -24.441 -71.728 1.00 0.00 N ATOM 4187 N1 A B 195 93.608 -25.411 -72.642 1.00 0.00 N ATOM 4188 C2 A B 195 94.275 -26.508 -72.992 1.00 0.00 C ATOM 4189 N3 A B 195 93.918 -27.768 -72.878 1.00 0.00 N ATOM 4190 C4 A B 195 92.698 -27.870 -72.313 1.00 0.00 C ATOM 4191 P A B 196 92.720 -33.541 -68.256 1.00 0.00 P ATOM 4192 O1P A B 196 93.551 -34.727 -67.956 1.00 0.00 O ATOM 4193 O2P A B 196 91.274 -33.794 -68.433 1.00 0.00 O ATOM 4194 O5* A B 196 93.000 -32.180 -67.093 1.00 0.00 O ATOM 4195 C5* A B 196 93.669 -31.315 -66.181 1.00 0.00 C ATOM 4196 C4* A B 196 94.636 -30.245 -66.893 1.00 0.00 C ATOM 4197 O4* A B 196 95.785 -30.684 -67.672 1.00 0.00 O ATOM 4198 C3* A B 196 94.459 -28.777 -67.293 1.00 0.00 C ATOM 4199 O3* A B 196 93.553 -27.823 -66.477 1.00 0.00 O ATOM 4200 C2* A B 196 95.903 -28.318 -67.473 1.00 0.00 C ATOM 4201 O2* A B 196 96.526 -28.109 -66.216 1.00 0.00 O ATOM 4202 C1* A B 196 96.551 -29.558 -68.083 1.00 0.00 C ATOM 4203 N9 A B 196 96.627 -29.554 -69.765 1.00 0.00 N ATOM 4204 C8 A B 196 95.861 -30.274 -70.661 1.00 0.00 C ATOM 4205 N7 A B 196 96.264 -30.181 -71.890 1.00 0.00 N ATOM 4206 C5 A B 196 97.366 -29.345 -71.818 1.00 0.00 C ATOM 4207 C6 A B 196 98.245 -28.852 -72.800 1.00 0.00 C ATOM 4208 N6 A B 196 98.140 -29.145 -74.100 1.00 0.00 N ATOM 4209 N1 A B 196 99.238 -28.041 -72.386 1.00 0.00 N ATOM 4210 C2 A B 196 99.337 -27.751 -71.090 1.00 0.00 C ATOM 4211 N3 A B 196 98.580 -28.150 -70.091 1.00 0.00 N ATOM 4212 C4 A B 196 97.595 -28.959 -70.528 1.00 0.00 C ATOM 4213 P A B 197 92.132 -26.944 -67.265 1.00 0.00 P ATOM 4214 O1P A B 197 90.874 -27.658 -66.963 1.00 0.00 O ATOM 4215 O2P A B 197 92.363 -26.616 -68.686 1.00 0.00 O ATOM 4216 O5* A B 197 92.272 -25.455 -66.185 1.00 0.00 O ATOM 4217 C5* A B 197 91.767 -24.747 -64.992 1.00 0.00 C ATOM 4218 C4* A B 197 92.832 -23.931 -64.012 1.00 0.00 C ATOM 4219 O4* A B 197 93.921 -24.753 -63.501 1.00 0.00 O ATOM 4220 C3* A B 197 93.544 -22.759 -64.678 1.00 0.00 C ATOM 4221 O3* A B 197 92.605 -21.555 -64.762 1.00 0.00 O ATOM 4222 C2* A B 197 94.741 -22.539 -63.760 1.00 0.00 C ATOM 4223 O2* A B 197 94.347 -21.882 -62.568 1.00 0.00 O ATOM 4224 C1* A B 197 95.098 -23.972 -63.376 1.00 0.00 C ATOM 4225 N9 A B 197 96.290 -24.668 -64.314 1.00 0.00 N ATOM 4226 C8 A B 197 96.478 -26.001 -64.611 1.00 0.00 C ATOM 4227 N7 A B 197 97.598 -26.249 -65.228 1.00 0.00 N ATOM 4228 C5 A B 197 98.200 -25.007 -65.347 1.00 0.00 C ATOM 4229 C6 A B 197 99.414 -24.591 -65.916 1.00 0.00 C ATOM 4230 N6 A B 197 100.284 -25.437 -66.491 1.00 0.00 N ATOM 4231 N1 A B 197 99.708 -23.281 -65.868 1.00 0.00 N ATOM 4232 C2 A B 197 98.841 -22.450 -65.294 1.00 0.00 C ATOM 4233 N3 A B 197 97.675 -22.717 -64.736 1.00 0.00 N ATOM 4234 C4 A B 197 97.409 -24.038 -64.796 1.00 0.00 C ATOM 4235 P C B 198 91.393 -21.740 -66.087 1.00 0.00 P ATOM 4236 O1P C B 198 90.207 -20.904 -65.812 1.00 0.00 O ATOM 4237 O2P C B 198 91.119 -23.121 -66.541 1.00 0.00 O ATOM 4238 O5* C B 198 92.676 -20.965 -67.106 1.00 0.00 O ATOM 4239 C5* C B 198 93.585 -19.841 -67.145 1.00 0.00 C ATOM 4240 C4* C B 198 95.016 -20.160 -67.844 1.00 0.00 C ATOM 4241 O4* C B 198 95.592 -21.386 -67.313 1.00 0.00 O ATOM 4242 C3* C B 198 95.250 -20.264 -69.350 1.00 0.00 C ATOM 4243 O3* C B 198 95.422 -18.847 -70.060 1.00 0.00 O ATOM 4244 C2* C B 198 96.613 -20.951 -69.411 1.00 0.00 C ATOM 4245 O2* C B 198 97.651 -20.028 -69.110 1.00 0.00 O ATOM 4246 C1* C B 198 96.526 -21.918 -68.242 1.00 0.00 C ATOM 4247 N1 C B 198 96.028 -23.498 -68.659 1.00 0.00 N ATOM 4248 C2 C B 198 96.787 -24.194 -69.601 1.00 0.00 C ATOM 4249 O2 C B 198 97.777 -23.637 -70.095 1.00 0.00 O ATOM 4250 N3 C B 198 96.415 -25.453 -69.943 1.00 0.00 N ATOM 4251 C4 C B 198 95.338 -26.019 -69.379 1.00 0.00 C ATOM 4252 N4 C B 198 95.015 -27.251 -69.744 1.00 0.00 N ATOM 4253 C5 C B 198 94.544 -25.324 -68.412 1.00 0.00 C ATOM 4254 C6 C B 198 94.931 -24.066 -68.087 1.00 0.00 C ATOM 4255 P A B 199 94.392 -17.789 -71.149 1.00 0.00 P ATOM 4256 O1P A B 199 93.099 -17.358 -70.569 1.00 0.00 O ATOM 4257 O2P A B 199 94.345 -18.229 -72.560 1.00 0.00 O ATOM 4258 O5* A B 199 95.642 -16.480 -70.903 1.00 0.00 O ATOM 4259 C5* A B 199 96.882 -16.027 -70.334 1.00 0.00 C ATOM 4260 C4* A B 199 98.165 -16.573 -71.171 1.00 0.00 C ATOM 4261 O4* A B 199 98.920 -17.695 -70.635 1.00 0.00 O ATOM 4262 C3* A B 199 97.994 -16.914 -72.651 1.00 0.00 C ATOM 4263 O3* A B 199 97.442 -15.800 -73.492 1.00 0.00 O ATOM 4264 C2* A B 199 99.322 -17.596 -72.975 1.00 0.00 C ATOM 4265 O2* A B 199 100.359 -16.642 -73.109 1.00 0.00 O ATOM 4266 C1* A B 199 99.598 -18.368 -71.687 1.00 0.00 C ATOM 4267 N9 A B 199 99.085 -19.967 -71.706 1.00 0.00 N ATOM 4268 C8 A B 199 97.800 -20.454 -71.628 1.00 0.00 C ATOM 4269 N7 A B 199 97.710 -21.733 -71.817 1.00 0.00 N ATOM 4270 C5 A B 199 99.020 -22.128 -72.040 1.00 0.00 C ATOM 4271 C6 A B 199 99.601 -23.387 -72.307 1.00 0.00 C ATOM 4272 N6 A B 199 98.889 -24.520 -72.399 1.00 0.00 N ATOM 4273 N1 A B 199 100.935 -23.428 -72.476 1.00 0.00 N ATOM 4274 C2 A B 199 101.628 -22.296 -72.382 1.00 0.00 C ATOM 4275 N3 A B 199 101.205 -21.075 -72.137 1.00 0.00 N ATOM 4276 C4 A B 199 99.864 -21.059 -71.973 1.00 0.00 C ATOM 4277 P U B 200 96.102 -16.191 -74.686 1.00 0.00 P ATOM 4278 O1P U B 200 96.367 -15.200 -75.753 1.00 0.00 O ATOM 4279 O2P U B 200 94.708 -16.254 -74.199 1.00 0.00 O ATOM 4280 O5* U B 200 96.580 -17.641 -75.164 1.00 0.00 O ATOM 4281 C5* U B 200 97.941 -17.823 -75.596 1.00 0.00 C ATOM 4282 C4* U B 200 98.201 -19.288 -75.883 1.00 0.00 C ATOM 4283 O4* U B 200 98.151 -20.031 -74.631 1.00 0.00 O ATOM 4284 C3* U B 200 97.169 -19.989 -76.767 1.00 0.00 C ATOM 4285 O3* U B 200 97.428 -19.786 -78.120 1.00 0.00 O ATOM 4286 C2* U B 200 97.327 -21.448 -76.349 1.00 0.00 C ATOM 4287 O2* U B 200 98.496 -22.012 -76.922 1.00 0.00 O ATOM 4288 C1* U B 200 97.592 -21.313 -74.853 1.00 0.00 C ATOM 4289 N1 U B 200 96.364 -21.431 -74.017 1.00 0.00 N ATOM 4290 C2 U B 200 95.828 -22.688 -73.866 1.00 0.00 C ATOM 4291 O2 U B 200 96.311 -23.681 -74.381 1.00 0.00 O ATOM 4292 N3 U B 200 94.692 -22.757 -73.084 1.00 0.00 N ATOM 4293 C4 U B 200 94.062 -21.701 -72.457 1.00 0.00 C ATOM 4294 O4 U B 200 93.046 -21.888 -71.783 1.00 0.00 O ATOM 4295 C5 U B 200 94.696 -20.423 -72.674 1.00 0.00 C ATOM 4296 C6 U B 200 95.802 -20.328 -73.431 1.00 0.00 C ATOM 4297 P C B 201 96.172 -19.672 -79.155 1.00 0.00 P ATOM 4298 O1P C B 201 96.621 -19.101 -80.445 1.00 0.00 O ATOM 4299 O2P C B 201 95.051 -18.971 -78.493 1.00 0.00 O ATOM 4300 O5* C B 201 95.806 -21.219 -79.347 1.00 0.00 O ATOM 4301 C5* C B 201 96.795 -22.108 -79.895 1.00 0.00 C ATOM 4302 C4* C B 201 96.281 -23.534 -79.872 1.00 0.00 C ATOM 4303 O4* C B 201 96.174 -23.974 -78.488 1.00 0.00 O ATOM 4304 C3* C B 201 94.875 -23.744 -80.434 1.00 0.00 C ATOM 4305 O3* C B 201 94.896 -23.887 -81.820 1.00 0.00 O ATOM 4306 C2* C B 201 94.434 -25.020 -79.720 1.00 0.00 C ATOM 4307 O2* C B 201 95.050 -26.161 -80.294 1.00 0.00 O ATOM 4308 C1* C B 201 95.051 -24.829 -78.338 1.00 0.00 C ATOM 4309 N1 C B 201 94.126 -24.207 -77.350 1.00 0.00 N ATOM 4310 C2 C B 201 93.100 -24.993 -76.832 1.00 0.00 C ATOM 4311 O2 C B 201 93.003 -26.167 -77.214 1.00 0.00 O ATOM 4312 N3 C B 201 92.248 -24.447 -75.931 1.00 0.00 N ATOM 4313 C4 C B 201 92.390 -23.173 -75.544 1.00 0.00 C ATOM 4314 N4 C B 201 91.531 -22.686 -74.662 1.00 0.00 N ATOM 4315 C5 C B 201 93.438 -22.345 -76.061 1.00 0.00 C ATOM 4316 C6 C B 201 94.279 -22.911 -76.964 1.00 0.00 C ATOM 4317 P U B 202 94.487 -25.276 -82.987 1.00 0.00 P ATOM 4318 O1P U B 202 95.229 -25.128 -84.258 1.00 0.00 O ATOM 4319 O2P U B 202 93.014 -25.233 -83.095 1.00 0.00 O ATOM 4320 O5* U B 202 94.835 -26.897 -82.186 1.00 0.00 O ATOM 4321 C5* U B 202 94.102 -28.020 -81.636 1.00 0.00 C ATOM 4322 C4* U B 202 92.660 -27.862 -80.826 1.00 0.00 C ATOM 4323 O4* U B 202 92.253 -29.184 -80.364 1.00 0.00 O ATOM 4324 C3* U B 202 92.410 -26.959 -79.614 1.00 0.00 C ATOM 4325 O3* U B 202 92.230 -25.491 -80.329 1.00 0.00 O ATOM 4326 C2* U B 202 91.152 -27.577 -79.013 1.00 0.00 C ATOM 4327 O2* U B 202 90.007 -27.216 -79.767 1.00 0.00 O ATOM 4328 C1* U B 202 91.386 -29.063 -79.252 1.00 0.00 C ATOM 4329 N1 U B 202 92.077 -29.891 -77.942 1.00 0.00 N ATOM 4330 C2 U B 202 91.340 -30.911 -77.388 1.00 0.00 C ATOM 4331 O2 U B 202 90.191 -31.153 -77.725 1.00 0.00 O ATOM 4332 N3 U B 202 91.976 -31.650 -76.415 1.00 0.00 N ATOM 4333 C4 U B 202 93.266 -31.462 -75.960 1.00 0.00 C ATOM 4334 O4 U B 202 93.733 -32.190 -75.079 1.00 0.00 O ATOM 4335 C5 U B 202 93.963 -30.374 -76.597 1.00 0.00 C ATOM 4336 C6 U B 202 93.363 -29.636 -77.550 1.00 0.00 C ATOM 4337 P A B 203 91.670 -23.793 -79.791 1.00 0.00 P ATOM 4338 O1P A B 203 92.741 -22.846 -79.404 1.00 0.00 O ATOM 4339 O2P A B 203 90.585 -23.970 -78.806 1.00 0.00 O ATOM 4340 O5* A B 203 91.140 -23.040 -81.407 1.00 0.00 O ATOM 4341 C5* A B 203 90.187 -21.910 -81.380 1.00 0.00 C ATOM 4342 C4* A B 203 90.802 -20.531 -81.896 1.00 0.00 C ATOM 4343 O4* A B 203 90.439 -19.209 -81.403 1.00 0.00 O ATOM 4344 C3* A B 203 92.288 -20.407 -82.236 1.00 0.00 C ATOM 4345 O3* A B 203 92.623 -21.684 -83.241 1.00 0.00 O ATOM 4346 C2* A B 203 92.372 -18.975 -82.768 1.00 0.00 C ATOM 4347 O2* A B 203 91.856 -18.900 -84.085 1.00 0.00 O ATOM 4348 C1* A B 203 91.380 -18.253 -81.862 1.00 0.00 C ATOM 4349 N9 A B 203 92.074 -17.497 -80.512 1.00 0.00 N ATOM 4350 C8 A B 203 93.137 -17.920 -79.747 1.00 0.00 C ATOM 4351 N7 A B 203 93.535 -17.050 -78.866 1.00 0.00 N ATOM 4352 C5 A B 203 92.680 -15.969 -79.055 1.00 0.00 C ATOM 4353 C6 A B 203 92.585 -14.721 -78.428 1.00 0.00 C ATOM 4354 N6 A B 203 93.393 -14.329 -77.433 1.00 0.00 N ATOM 4355 N1 A B 203 91.621 -13.884 -78.855 1.00 0.00 N ATOM 4356 C2 A B 203 90.820 -14.281 -79.846 1.00 0.00 C ATOM 4357 N3 A B 203 90.817 -15.416 -80.505 1.00 0.00 N ATOM 4358 C4 A B 203 91.787 -16.236 -80.055 1.00 0.00 C ATOM 4359 P A B 204 91.289 -22.274 -84.517 1.00 0.00 P ATOM 4360 O1P A B 204 91.549 -22.290 -85.973 1.00 0.00 O ATOM 4361 O2P A B 204 90.439 -21.165 -84.025 1.00 0.00 O ATOM 4362 O5* A B 204 90.662 -23.676 -84.062 1.00 0.00 O ATOM 4363 C5* A B 204 91.377 -24.889 -84.362 1.00 0.00 C ATOM 4364 C4* A B 204 90.673 -26.074 -83.737 1.00 0.00 C ATOM 4365 O4* A B 204 90.781 -25.978 -82.286 1.00 0.00 O ATOM 4366 C3* A B 204 89.168 -26.163 -83.989 1.00 0.00 C ATOM 4367 O3* A B 204 88.889 -26.773 -85.211 1.00 0.00 O ATOM 4368 C2* A B 204 88.690 -26.989 -82.797 1.00 0.00 C ATOM 4369 O2* A B 204 89.001 -28.360 -82.974 1.00 0.00 O ATOM 4370 C1* A B 204 89.594 -26.470 -81.683 1.00 0.00 C ATOM 4371 N9 A B 204 88.990 -25.364 -80.888 1.00 0.00 N ATOM 4372 C8 A B 204 89.282 -24.018 -80.910 1.00 0.00 C ATOM 4373 N7 A B 204 88.572 -23.310 -80.087 1.00 0.00 N ATOM 4374 C5 A B 204 87.744 -24.240 -79.475 1.00 0.00 C ATOM 4375 C6 A B 204 86.747 -24.117 -78.495 1.00 0.00 C ATOM 4376 N6 A B 204 86.400 -22.951 -77.933 1.00 0.00 N ATOM 4377 N1 A B 204 86.119 -25.244 -78.107 1.00 0.00 N ATOM 4378 C2 A B 204 86.468 -26.399 -78.667 1.00 0.00 C ATOM 4379 N3 A B 204 87.378 -26.635 -79.588 1.00 0.00 N ATOM 4380 C4 A B 204 87.993 -25.492 -79.956 1.00 0.00 C ATOM 4381 P G B 205 87.581 -26.276 -86.056 1.00 0.00 P ATOM 4382 O1P G B 205 87.661 -26.763 -87.453 1.00 0.00 O ATOM 4383 O2P G B 205 87.414 -24.815 -85.893 1.00 0.00 O ATOM 4384 O5* G B 205 86.413 -27.045 -85.282 1.00 0.00 O ATOM 4385 C5* G B 205 86.434 -28.484 -85.238 1.00 0.00 C ATOM 4386 C4* G B 205 85.312 -28.992 -84.353 1.00 0.00 C ATOM 4387 O4* G B 205 85.592 -28.616 -82.975 1.00 0.00 O ATOM 4388 C3* G B 205 83.928 -28.395 -84.623 1.00 0.00 C ATOM 4389 O3* G B 205 83.276 -29.066 -85.657 1.00 0.00 O ATOM 4390 C2* G B 205 83.234 -28.576 -83.274 1.00 0.00 C ATOM 4391 O2* G B 205 82.839 -29.924 -83.087 1.00 0.00 O ATOM 4392 C1* G B 205 84.383 -28.312 -82.302 1.00 0.00 C ATOM 4393 N9 G B 205 84.457 -26.901 -81.834 1.00 0.00 N ATOM 4394 C8 G B 205 85.352 -25.914 -82.187 1.00 0.00 C ATOM 4395 N7 G B 205 85.141 -24.765 -81.587 1.00 0.00 N ATOM 4396 C5 G B 205 84.031 -25.011 -80.781 1.00 0.00 C ATOM 4397 C6 G B 205 83.335 -24.147 -79.898 1.00 0.00 C ATOM 4398 O6 G B 205 83.561 -22.967 -79.636 1.00 0.00 O ATOM 4399 N1 G B 205 82.264 -24.803 -79.277 1.00 0.00 N ATOM 4400 C2 G B 205 81.908 -26.122 -79.486 1.00 0.00 C ATOM 4401 N2 G B 205 80.852 -26.563 -78.797 1.00 0.00 N ATOM 4402 N3 G B 205 82.561 -26.930 -80.317 1.00 0.00 N ATOM 4403 C4 G B 205 83.605 -26.311 -80.925 1.00 0.00 C ATOM 4404 P U B 206 82.289 -28.214 -86.640 1.00 0.00 P ATOM 4405 O1P U B 206 81.991 -28.995 -87.863 1.00 0.00 O ATOM 4406 O2P U B 206 82.856 -26.865 -86.858 1.00 0.00 O ATOM 4407 O5* U B 206 80.975 -28.113 -85.731 1.00 0.00 O ATOM 4408 C5* U B 206 80.313 -29.321 -85.321 1.00 0.00 C ATOM 4409 C4* U B 206 79.177 -28.997 -84.373 1.00 0.00 C ATOM 4410 O4* U B 206 79.736 -28.489 -83.126 1.00 0.00 O ATOM 4411 C3* U B 206 78.228 -27.888 -84.829 1.00 0.00 C ATOM 4412 O3* U B 206 77.238 -28.381 -85.675 1.00 0.00 O ATOM 4413 C2* U B 206 77.667 -27.385 -83.500 1.00 0.00 C ATOM 4414 O2* U B 206 76.696 -28.283 -82.990 1.00 0.00 O ATOM 4415 C1* U B 206 78.887 -27.485 -82.591 1.00 0.00 C ATOM 4416 N1 U B 206 79.670 -26.222 -82.497 1.00 0.00 N ATOM 4417 C2 U B 206 79.131 -25.205 -81.747 1.00 0.00 C ATOM 4418 O2 U B 206 78.058 -25.302 -81.174 1.00 0.00 O ATOM 4419 N3 U B 206 79.885 -24.052 -81.683 1.00 0.00 N ATOM 4420 C4 U B 206 81.105 -23.832 -82.290 1.00 0.00 C ATOM 4421 O4 U B 206 81.687 -22.756 -82.160 1.00 0.00 O ATOM 4422 C5 U B 206 81.590 -24.957 -83.055 1.00 0.00 C ATOM 4423 C6 U B 206 80.877 -26.093 -83.136 1.00 0.00 C ATOM 4424 P A B 207 78.197 -28.340 -87.336 1.00 0.00 P ATOM 4425 O1P A B 207 77.278 -27.848 -88.383 1.00 0.00 O ATOM 4426 O2P A B 207 78.778 -29.678 -87.567 1.00 0.00 O ATOM 4427 O5* A B 207 79.652 -27.105 -87.151 1.00 0.00 O ATOM 4428 C5* A B 207 80.536 -26.025 -86.362 1.00 0.00 C ATOM 4429 C4* A B 207 80.944 -24.389 -86.611 1.00 0.00 C ATOM 4430 O4* A B 207 81.974 -24.251 -87.637 1.00 0.00 O ATOM 4431 C3* A B 207 79.881 -23.375 -87.019 1.00 0.00 C ATOM 4432 O3* A B 207 78.496 -23.361 -86.166 1.00 0.00 O ATOM 4433 C2* A B 207 80.726 -22.228 -87.574 1.00 0.00 C ATOM 4434 O2* A B 207 81.317 -21.488 -86.523 1.00 0.00 O ATOM 4435 C1* A B 207 81.852 -22.987 -88.271 1.00 0.00 C ATOM 4436 N9 A B 207 81.608 -23.246 -89.938 1.00 0.00 N ATOM 4437 C8 A B 207 81.559 -24.440 -90.617 1.00 0.00 C ATOM 4438 N7 A B 207 81.566 -24.317 -91.907 1.00 0.00 N ATOM 4439 C5 A B 207 81.625 -22.947 -92.107 1.00 0.00 C ATOM 4440 C6 A B 207 81.662 -22.158 -93.272 1.00 0.00 C ATOM 4441 N6 A B 207 81.644 -22.671 -94.512 1.00 0.00 N ATOM 4442 N1 A B 207 81.718 -20.827 -93.118 1.00 0.00 N ATOM 4443 C2 A B 207 81.735 -20.320 -91.885 1.00 0.00 C ATOM 4444 N3 A B 207 81.709 -20.954 -90.732 1.00 0.00 N ATOM 4445 C4 A B 207 81.648 -22.290 -90.916 1.00 0.00 C ATOM 4446 P C B 208 77.372 -25.159 -87.077 1.00 0.00 P ATOM 4447 O1P C B 208 78.451 -25.808 -86.301 1.00 0.00 O ATOM 4448 O2P C B 208 77.793 -24.068 -87.984 1.00 0.00 O ATOM 4449 O5* C B 208 76.234 -24.629 -86.084 1.00 0.00 O ATOM 4450 C5* C B 208 75.354 -25.581 -85.458 1.00 0.00 C ATOM 4451 C4* C B 208 74.445 -24.878 -84.472 1.00 0.00 C ATOM 4452 O4* C B 208 75.247 -24.389 -83.357 1.00 0.00 O ATOM 4453 C3* C B 208 73.735 -23.626 -84.993 1.00 0.00 C ATOM 4454 O3* C B 208 72.569 -23.949 -85.680 1.00 0.00 O ATOM 4455 C2* C B 208 73.467 -22.851 -83.703 1.00 0.00 C ATOM 4456 O2* C B 208 72.378 -23.415 -82.996 1.00 0.00 O ATOM 4457 C1* C B 208 74.727 -23.152 -82.897 1.00 0.00 C ATOM 4458 N1 C B 208 75.792 -22.122 -83.042 1.00 0.00 N ATOM 4459 C2 C B 208 75.611 -20.903 -82.396 1.00 0.00 C ATOM 4460 O2 C B 208 74.580 -20.728 -81.732 1.00 0.00 O ATOM 4461 N3 C B 208 76.570 -19.949 -82.514 1.00 0.00 N ATOM 4462 C4 C B 208 77.669 -20.179 -83.242 1.00 0.00 C ATOM 4463 N4 C B 208 78.576 -19.216 -83.329 1.00 0.00 N ATOM 4464 C5 C B 208 77.879 -21.425 -83.917 1.00 0.00 C ATOM 4465 C6 C B 208 76.906 -22.365 -83.783 1.00 0.00 C ATOM 4466 P C B 209 72.124 -23.021 -86.950 1.00 0.00 P ATOM 4467 O1P C B 209 71.096 -23.718 -87.755 1.00 0.00 O ATOM 4468 O2P C B 209 73.330 -22.581 -87.682 1.00 0.00 O ATOM 4469 O5* C B 209 71.463 -21.773 -86.190 1.00 0.00 O ATOM 4470 C5* C B 209 70.323 -21.995 -85.342 1.00 0.00 C ATOM 4471 C4* C B 209 69.945 -20.709 -84.635 1.00 0.00 C ATOM 4472 O4* C B 209 71.000 -20.365 -83.690 1.00 0.00 O ATOM 4473 C3* C B 209 69.828 -19.470 -85.524 1.00 0.00 C ATOM 4474 O3* C B 209 68.572 -19.388 -86.123 1.00 0.00 O ATOM 4475 C2* C B 209 70.082 -18.338 -84.532 1.00 0.00 C ATOM 4476 O2* C B 209 68.940 -18.114 -83.723 1.00 0.00 O ATOM 4477 C1* C B 209 71.149 -18.955 -83.631 1.00 0.00 C ATOM 4478 N1 C B 209 72.541 -18.621 -84.040 1.00 0.00 N ATOM 4479 C2 C B 209 73.003 -17.334 -83.786 1.00 0.00 C ATOM 4480 O2 C B 209 72.244 -16.526 -83.239 1.00 0.00 O ATOM 4481 N3 C B 209 74.269 -17.008 -84.154 1.00 0.00 N ATOM 4482 C4 C B 209 75.060 -17.914 -84.745 1.00 0.00 C ATOM 4483 N4 C B 209 76.287 -17.549 -85.082 1.00 0.00 N ATOM 4484 C5 C B 209 74.605 -19.245 -85.014 1.00 0.00 C ATOM 4485 C6 C B 209 73.337 -19.548 -84.642 1.00 0.00 C ATOM 4486 P C B 210 68.460 -18.753 -87.621 1.00 0.00 P ATOM 4487 O1P C B 210 67.145 -19.082 -88.220 1.00 0.00 O ATOM 4488 O2P C B 210 69.646 -19.142 -88.414 1.00 0.00 O ATOM 4489 O5* C B 210 68.521 -17.189 -87.287 1.00 0.00 O ATOM 4490 C5* C B 210 67.508 -16.612 -86.447 1.00 0.00 C ATOM 4491 C4* C B 210 67.830 -15.159 -86.164 1.00 0.00 C ATOM 4492 O4* C B 210 69.023 -15.096 -85.329 1.00 0.00 O ATOM 4493 C3* C B 210 68.187 -14.308 -87.381 1.00 0.00 C ATOM 4494 O3* C B 210 67.047 -13.820 -88.015 1.00 0.00 O ATOM 4495 C2* C B 210 69.033 -13.199 -86.758 1.00 0.00 C ATOM 4496 O2* C B 210 68.212 -12.256 -86.091 1.00 0.00 O ATOM 4497 C1* C B 210 69.798 -13.962 -85.682 1.00 0.00 C ATOM 4498 N1 C B 210 71.135 -14.439 -86.128 1.00 0.00 N ATOM 4499 C2 C B 210 72.154 -13.500 -86.251 1.00 0.00 C ATOM 4500 O2 C B 210 71.908 -12.317 -85.989 1.00 0.00 O ATOM 4501 N3 C B 210 73.382 -13.914 -86.655 1.00 0.00 N ATOM 4502 C4 C B 210 73.609 -15.207 -86.930 1.00 0.00 C ATOM 4503 N4 C B 210 74.823 -15.561 -87.319 1.00 0.00 N ATOM 4504 C5 C B 210 72.576 -16.191 -86.809 1.00 0.00 C ATOM 4505 C6 C B 210 71.356 -15.755 -86.404 1.00 0.00 C ATOM 4506 P C B 211 67.068 -13.642 -89.640 1.00 0.00 P ATOM 4507 O1P C B 211 65.690 -13.474 -90.154 1.00 0.00 O ATOM 4508 O2P C B 211 67.855 -14.742 -90.244 1.00 0.00 O ATOM 4509 O5* C B 211 67.866 -12.262 -89.780 1.00 0.00 O ATOM 4510 C5* C B 211 67.321 -11.074 -89.178 1.00 0.00 C ATOM 4511 C4* C B 211 68.294 -9.923 -89.325 1.00 0.00 C ATOM 4512 O4* C B 211 69.471 -10.193 -88.507 1.00 0.00 O ATOM 4513 C3* C B 211 68.865 -9.705 -90.727 1.00 0.00 C ATOM 4514 O3* C B 211 68.005 -8.941 -91.513 1.00 0.00 O ATOM 4515 C2* C B 211 70.181 -8.993 -90.431 1.00 0.00 C ATOM 4516 O2* C B 211 69.955 -7.633 -90.095 1.00 0.00 O ATOM 4517 C1* C B 211 70.632 -9.695 -89.155 1.00 0.00 C ATOM 4518 N1 C B 211 71.551 -10.843 -89.396 1.00 0.00 N ATOM 4519 C2 C B 211 72.864 -10.557 -89.759 1.00 0.00 C ATOM 4520 O2 C B 211 73.210 -9.374 -89.864 1.00 0.00 O ATOM 4521 N3 C B 211 73.719 -11.588 -89.983 1.00 0.00 N ATOM 4522 C4 C B 211 73.307 -12.855 -89.858 1.00 0.00 C ATOM 4523 N4 C B 211 74.180 -13.825 -90.089 1.00 0.00 N ATOM 4524 C5 C B 211 71.961 -13.173 -89.486 1.00 0.00 C ATOM 4525 C6 C B 211 71.121 -12.127 -89.268 1.00 0.00 C ATOM 4526 P G B 212 67.925 -9.247 -93.115 1.00 0.00 P ATOM 4527 O1P G B 212 66.723 -8.612 -93.700 1.00 0.00 O ATOM 4528 O2P G B 212 68.059 -10.703 -93.344 1.00 0.00 O ATOM 4529 O5* G B 212 69.242 -8.496 -93.630 1.00 0.00 O ATOM 4530 C5* G B 212 69.361 -7.077 -93.421 1.00 0.00 C ATOM 4531 C4* G B 212 70.728 -6.598 -93.869 1.00 0.00 C ATOM 4532 O4* G B 212 71.736 -7.149 -92.972 1.00 0.00 O ATOM 4533 C3* G B 212 71.174 -7.067 -95.256 1.00 0.00 C ATOM 4534 O3* G B 212 70.673 -6.240 -96.258 1.00 0.00 O ATOM 4535 C2* G B 212 72.695 -6.996 -95.141 1.00 0.00 C ATOM 4536 O2* G B 212 73.145 -5.655 -95.229 1.00 0.00 O ATOM 4537 C1* G B 212 72.916 -7.446 -93.701 1.00 0.00 C ATOM 4538 N9 G B 212 73.185 -8.903 -93.564 1.00 0.00 N ATOM 4539 C8 G B 212 72.359 -9.904 -93.097 1.00 0.00 C ATOM 4540 N7 G B 212 72.904 -11.096 -93.108 1.00 0.00 N ATOM 4541 C5 G B 212 74.183 -10.871 -93.616 1.00 0.00 C ATOM 4542 C6 G B 212 75.242 -11.783 -93.862 1.00 0.00 C ATOM 4543 O6 G B 212 75.273 -12.996 -93.673 1.00 0.00 O ATOM 4544 N1 G B 212 76.366 -11.132 -94.382 1.00 0.00 N ATOM 4545 C2 G B 212 76.459 -9.777 -94.636 1.00 0.00 C ATOM 4546 N2 G B 212 77.620 -9.349 -95.137 1.00 0.00 N ATOM 4547 N3 G B 212 75.464 -8.920 -94.408 1.00 0.00 N ATOM 4548 C4 G B 212 74.365 -9.537 -93.897 1.00 0.00 C ATOM 4549 P A B 213 70.510 -4.483 -95.477 1.00 0.00 P ATOM 4550 O1P A B 213 69.503 -3.919 -96.406 1.00 0.00 O ATOM 4551 O2P A B 213 71.792 -3.749 -95.396 1.00 0.00 O ATOM 4552 O5* A B 213 69.848 -4.484 -93.691 1.00 0.00 O ATOM 4553 C5* A B 213 69.788 -3.650 -92.408 1.00 0.00 C ATOM 4554 C4* A B 213 69.359 -4.102 -90.840 1.00 0.00 C ATOM 4555 O4* A B 213 69.672 -5.410 -90.274 1.00 0.00 O ATOM 4556 C3* A B 213 68.489 -3.442 -89.764 1.00 0.00 C ATOM 4557 O3* A B 213 68.093 -2.037 -89.409 1.00 0.00 O ATOM 4558 C2* A B 213 67.690 -4.627 -89.229 1.00 0.00 C ATOM 4559 O2* A B 213 66.654 -4.994 -90.127 1.00 0.00 O ATOM 4560 C1* A B 213 68.727 -5.741 -89.274 1.00 0.00 C ATOM 4561 N9 A B 213 69.563 -5.997 -87.805 1.00 0.00 N ATOM 4562 C8 A B 213 69.127 -5.752 -86.522 1.00 0.00 C ATOM 4563 N7 A B 213 69.921 -6.213 -85.599 1.00 0.00 N ATOM 4564 C5 A B 213 70.945 -6.818 -86.312 1.00 0.00 C ATOM 4565 C6 A B 213 72.104 -7.493 -85.908 1.00 0.00 C ATOM 4566 N6 A B 213 72.438 -7.689 -84.621 1.00 0.00 N ATOM 4567 N1 A B 213 72.916 -7.961 -86.871 1.00 0.00 N ATOM 4568 C2 A B 213 72.586 -7.760 -88.145 1.00 0.00 C ATOM 4569 N3 A B 213 71.537 -7.143 -88.644 1.00 0.00 N ATOM 4570 C4 A B 213 70.736 -6.686 -87.657 1.00 0.00 C ATOM 4571 P G B 214 66.753 -1.953 -88.116 1.00 0.00 P ATOM 4572 O1P G B 214 65.464 -2.435 -88.668 1.00 0.00 O ATOM 4573 O2P G B 214 66.749 -0.580 -87.569 1.00 0.00 O ATOM 4574 O5* G B 214 67.318 -3.177 -86.832 1.00 0.00 O ATOM 4575 C5* G B 214 67.037 -4.051 -85.646 1.00 0.00 C ATOM 4576 C4* G B 214 67.170 -3.281 -84.200 1.00 0.00 C ATOM 4577 O4* G B 214 66.900 -1.859 -84.393 1.00 0.00 O ATOM 4578 C3* G B 214 66.795 -3.526 -82.744 1.00 0.00 C ATOM 4579 O3* G B 214 67.521 -4.769 -81.964 1.00 0.00 O ATOM 4580 C2* G B 214 67.231 -2.231 -82.072 1.00 0.00 C ATOM 4581 O2* G B 214 68.641 -2.197 -81.913 1.00 0.00 O ATOM 4582 C1* G B 214 66.883 -1.200 -83.138 1.00 0.00 C ATOM 4583 N9 G B 214 65.365 -0.461 -82.941 1.00 0.00 N ATOM 4584 C8 G B 214 64.707 -0.127 -81.780 1.00 0.00 C ATOM 4585 N7 G B 214 63.592 0.534 -81.971 1.00 0.00 N ATOM 4586 C5 G B 214 63.509 0.652 -83.354 1.00 0.00 C ATOM 4587 C6 G B 214 62.521 1.270 -84.164 1.00 0.00 C ATOM 4588 O6 G B 214 61.500 1.859 -83.821 1.00 0.00 O ATOM 4589 N1 G B 214 62.829 1.161 -85.529 1.00 0.00 N ATOM 4590 C2 G B 214 63.945 0.529 -86.042 1.00 0.00 C ATOM 4591 N2 G B 214 64.060 0.527 -87.373 1.00 0.00 N ATOM 4592 N3 G B 214 64.872 -0.054 -85.287 1.00 0.00 N ATOM 4593 C4 G B 214 64.589 0.050 -83.958 1.00 0.00 C ATOM 4594 P G B 215 68.186 -5.009 -80.159 1.00 0.00 P ATOM 4595 O1P G B 215 67.967 -6.416 -79.754 1.00 0.00 O ATOM 4596 O2P G B 215 67.404 -3.993 -79.415 1.00 0.00 O ATOM 4597 O5* G B 215 70.081 -4.730 -79.815 1.00 0.00 O ATOM 4598 C5* G B 215 71.565 -4.168 -79.486 1.00 0.00 C ATOM 4599 C4* G B 215 72.619 -2.885 -80.065 1.00 0.00 C ATOM 4600 O4* G B 215 73.851 -2.452 -79.422 1.00 0.00 O ATOM 4601 C3* G B 215 72.438 -1.891 -81.219 1.00 0.00 C ATOM 4602 O3* G B 215 72.814 -2.242 -82.725 1.00 0.00 O ATOM 4603 C2* G B 215 72.960 -0.593 -80.613 1.00 0.00 C ATOM 4604 O2* G B 215 72.010 -0.038 -79.714 1.00 0.00 O ATOM 4605 C1* G B 215 74.123 -1.098 -79.757 1.00 0.00 C ATOM 4606 N9 G B 215 75.603 -1.029 -80.496 1.00 0.00 N ATOM 4607 C8 G B 215 76.531 -2.030 -80.681 1.00 0.00 C ATOM 4608 N7 G B 215 77.575 -1.670 -81.392 1.00 0.00 N ATOM 4609 C5 G B 215 77.314 -0.333 -81.698 1.00 0.00 C ATOM 4610 C6 G B 215 78.082 0.595 -82.448 1.00 0.00 C ATOM 4611 O6 G B 215 79.163 0.430 -83.001 1.00 0.00 O ATOM 4612 N1 G B 215 77.453 1.844 -82.510 1.00 0.00 N ATOM 4613 C2 G B 215 76.235 2.157 -81.930 1.00 0.00 C ATOM 4614 N2 G B 215 75.805 3.402 -82.108 1.00 0.00 N ATOM 4615 N3 G B 215 75.516 1.282 -81.228 1.00 0.00 N ATOM 4616 C4 G B 215 76.115 0.066 -81.157 1.00 0.00 C ATOM 4617 P A B 216 74.457 -2.146 -83.586 1.00 0.00 P ATOM 4618 O1P A B 216 74.825 -0.714 -83.545 1.00 0.00 O ATOM 4619 O2P A B 216 74.471 -2.783 -84.924 1.00 0.00 O ATOM 4620 O5* A B 216 75.478 -3.246 -82.532 1.00 0.00 O ATOM 4621 C5* A B 216 76.606 -4.145 -82.642 1.00 0.00 C ATOM 4622 C4* A B 216 77.111 -4.858 -81.258 1.00 0.00 C ATOM 4623 O4* A B 216 78.525 -4.599 -81.024 1.00 0.00 O ATOM 4624 C3* A B 216 76.455 -4.602 -79.907 1.00 0.00 C ATOM 4625 O3* A B 216 74.891 -4.702 -79.754 1.00 0.00 O ATOM 4626 C2* A B 216 77.519 -5.110 -78.933 1.00 0.00 C ATOM 4627 O2* A B 216 77.517 -6.527 -78.888 1.00 0.00 O ATOM 4628 C1* A B 216 78.804 -4.691 -79.634 1.00 0.00 C ATOM 4629 N9 A B 216 79.435 -3.217 -79.122 1.00 0.00 N ATOM 4630 C8 A B 216 78.907 -1.954 -79.294 1.00 0.00 C ATOM 4631 N7 A B 216 79.540 -1.030 -78.643 1.00 0.00 N ATOM 4632 C5 A B 216 80.553 -1.709 -77.988 1.00 0.00 C ATOM 4633 C6 A B 216 81.577 -1.288 -77.126 1.00 0.00 C ATOM 4634 N6 A B 216 81.759 -0.005 -76.761 1.00 0.00 N ATOM 4635 N1 A B 216 82.418 -2.230 -76.652 1.00 0.00 N ATOM 4636 C2 A B 216 82.235 -3.499 -77.019 1.00 0.00 C ATOM 4637 N3 A B 216 81.319 -4.005 -77.813 1.00 0.00 N ATOM 4638 C4 A B 216 80.490 -3.048 -78.277 1.00 0.00 C ATOM 4639 P A B 217 74.050 -6.115 -78.873 1.00 0.00 P ATOM 4640 O1P A B 217 73.282 -5.796 -77.652 1.00 0.00 O ATOM 4641 O2P A B 217 75.220 -7.010 -78.684 1.00 0.00 O ATOM 4642 O5* A B 217 72.407 -6.768 -79.605 1.00 0.00 O ATOM 4643 C5* A B 217 71.411 -7.531 -78.711 1.00 0.00 C ATOM 4644 C4* A B 217 71.128 -9.237 -78.653 1.00 0.00 C ATOM 4645 O4* A B 217 69.714 -9.388 -78.962 1.00 0.00 O ATOM 4646 C3* A B 217 71.826 -10.124 -79.685 1.00 0.00 C ATOM 4647 O3* A B 217 73.140 -10.652 -78.917 1.00 0.00 O ATOM 4648 C2* A B 217 70.850 -11.294 -79.814 1.00 0.00 C ATOM 4649 O2* A B 217 70.958 -12.164 -78.699 1.00 0.00 O ATOM 4650 C1* A B 217 69.503 -10.586 -79.695 1.00 0.00 C ATOM 4651 N9 A B 217 68.805 -10.198 -81.127 1.00 0.00 N ATOM 4652 C8 A B 217 67.788 -9.307 -81.366 1.00 0.00 C ATOM 4653 N7 A B 217 67.552 -9.102 -82.624 1.00 0.00 N ATOM 4654 C5 A B 217 68.479 -9.907 -83.274 1.00 0.00 C ATOM 4655 C6 A B 217 68.739 -10.139 -84.633 1.00 0.00 C ATOM 4656 N6 A B 217 68.063 -9.542 -85.633 1.00 0.00 N ATOM 4657 N1 A B 217 69.730 -11.001 -84.938 1.00 0.00 N ATOM 4658 C2 A B 217 70.394 -11.591 -83.941 1.00 0.00 C ATOM 4659 N3 A B 217 70.239 -11.450 -82.646 1.00 0.00 N ATOM 4660 C4 A B 217 69.244 -10.578 -82.369 1.00 0.00 C ATOM 4661 P A B 218 73.590 -9.342 -77.763 1.00 0.00 P ATOM 4662 O1P A B 218 74.989 -9.092 -77.352 1.00 0.00 O ATOM 4663 O2P A B 218 72.571 -9.177 -76.704 1.00 0.00 O ATOM 4664 O5* A B 218 73.387 -8.580 -79.417 1.00 0.00 O ATOM 4665 C5* A B 218 73.303 -8.618 -80.899 1.00 0.00 C ATOM 4666 C4* A B 218 73.628 -7.253 -81.708 1.00 0.00 C ATOM 4667 O4* A B 218 74.885 -7.050 -82.418 1.00 0.00 O ATOM 4668 C3* A B 218 72.652 -6.302 -82.405 1.00 0.00 C ATOM 4669 O3* A B 218 71.472 -5.782 -81.499 1.00 0.00 O ATOM 4670 C2* A B 218 73.548 -5.105 -82.725 1.00 0.00 C ATOM 4671 O2* A B 218 73.790 -4.332 -81.565 1.00 0.00 O ATOM 4672 C1* A B 218 74.864 -5.796 -83.076 1.00 0.00 C ATOM 4673 N9 A B 218 75.103 -6.058 -84.723 1.00 0.00 N ATOM 4674 C8 A B 218 74.739 -7.148 -85.477 1.00 0.00 C ATOM 4675 N7 A B 218 75.211 -7.138 -86.682 1.00 0.00 N ATOM 4676 C5 A B 218 75.939 -5.967 -86.749 1.00 0.00 C ATOM 4677 C6 A B 218 76.688 -5.367 -87.777 1.00 0.00 C ATOM 4678 N6 A B 218 76.831 -5.910 -88.995 1.00 0.00 N ATOM 4679 N1 A B 218 77.288 -4.194 -87.511 1.00 0.00 N ATOM 4680 C2 A B 218 77.136 -3.660 -86.298 1.00 0.00 C ATOM 4681 N3 A B 218 76.468 -4.118 -85.263 1.00 0.00 N ATOM 4682 C4 A B 218 75.880 -5.295 -85.559 1.00 0.00 C ATOM 4683 P A B 219 70.534 -4.370 -82.293 1.00 0.00 P ATOM 4684 O1P A B 219 69.339 -4.997 -82.909 1.00 0.00 O ATOM 4685 O2P A B 219 71.462 -3.696 -83.223 1.00 0.00 O ATOM 4686 O5* A B 219 70.097 -3.107 -80.929 1.00 0.00 O ATOM 4687 C5* A B 219 69.682 -2.524 -79.524 1.00 0.00 C ATOM 4688 C4* A B 219 68.312 -1.778 -78.829 1.00 0.00 C ATOM 4689 O4* A B 219 67.242 -1.187 -79.627 1.00 0.00 O ATOM 4690 C3* A B 219 67.697 -1.903 -77.435 1.00 0.00 C ATOM 4691 O3* A B 219 68.488 -2.254 -76.162 1.00 0.00 O ATOM 4692 C2* A B 219 66.834 -0.650 -77.356 1.00 0.00 C ATOM 4693 O2* A B 219 67.636 0.502 -77.118 1.00 0.00 O ATOM 4694 C1* A B 219 66.311 -0.539 -78.781 1.00 0.00 C ATOM 4695 N9 A B 219 64.807 -1.230 -79.027 1.00 0.00 N ATOM 4696 C8 A B 219 64.397 -2.040 -80.064 1.00 0.00 C ATOM 4697 N7 A B 219 63.119 -2.250 -80.097 1.00 0.00 N ATOM 4698 C5 A B 219 62.629 -1.528 -79.012 1.00 0.00 C ATOM 4699 C6 A B 219 61.335 -1.345 -78.502 1.00 0.00 C ATOM 4700 N6 A B 219 60.241 -1.897 -79.046 1.00 0.00 N ATOM 4701 N1 A B 219 61.206 -0.572 -77.413 1.00 0.00 N ATOM 4702 C2 A B 219 62.300 -0.030 -76.876 1.00 0.00 C ATOM 4703 N3 A B 219 63.548 -0.132 -77.264 1.00 0.00 N ATOM 4704 C4 A B 219 63.654 -0.911 -78.359 1.00 0.00 C ATOM 4705 P G B 220 67.944 -3.763 -75.259 1.00 0.00 P ATOM 4706 O1P G B 220 68.908 -4.863 -75.494 1.00 0.00 O ATOM 4707 O2P G B 220 66.523 -4.089 -75.529 1.00 0.00 O ATOM 4708 O5* G B 220 68.141 -3.112 -73.558 1.00 0.00 O ATOM 4709 C5* G B 220 68.930 -2.928 -72.359 1.00 0.00 C ATOM 4710 C4* G B 220 69.690 -1.496 -72.474 1.00 0.00 C ATOM 4711 O4* G B 220 69.291 -0.822 -73.708 1.00 0.00 O ATOM 4712 C3* G B 220 69.627 -0.394 -71.415 1.00 0.00 C ATOM 4713 O3* G B 220 68.888 -0.344 -70.052 1.00 0.00 O ATOM 4714 C2* G B 220 70.095 0.827 -72.200 1.00 0.00 C ATOM 4715 O2* G B 220 71.499 0.806 -72.372 1.00 0.00 O ATOM 4716 C1* G B 220 69.472 0.579 -73.565 1.00 0.00 C ATOM 4717 N9 G B 220 67.937 1.356 -73.812 1.00 0.00 N ATOM 4718 C8 G B 220 67.672 2.626 -74.271 1.00 0.00 C ATOM 4719 N7 G B 220 66.406 2.949 -74.245 1.00 0.00 N ATOM 4720 C5 G B 220 65.781 1.813 -73.737 1.00 0.00 C ATOM 4721 C6 G B 220 64.413 1.556 -73.481 1.00 0.00 C ATOM 4722 O6 G B 220 63.445 2.294 -73.651 1.00 0.00 O ATOM 4723 N1 G B 220 64.219 0.266 -72.970 1.00 0.00 N ATOM 4724 C2 G B 220 65.220 -0.655 -72.737 1.00 0.00 C ATOM 4725 N2 G B 220 64.829 -1.833 -72.241 1.00 0.00 N ATOM 4726 N3 G B 220 66.503 -0.418 -72.974 1.00 0.00 N ATOM 4727 C4 G B 220 66.714 0.828 -73.479 1.00 0.00 C ATOM 4728 P A B 221 69.365 -1.243 -68.492 1.00 0.00 P ATOM 4729 O1P A B 221 69.744 -2.647 -68.748 1.00 0.00 O ATOM 4730 O2P A B 221 68.260 -1.036 -67.528 1.00 0.00 O ATOM 4731 O5* A B 221 70.830 -0.269 -67.916 1.00 0.00 O ATOM 4732 C5* A B 221 71.476 0.404 -66.802 1.00 0.00 C ATOM 4733 C4* A B 221 73.097 0.990 -66.674 1.00 0.00 C ATOM 4734 O4* A B 221 73.824 0.405 -65.556 1.00 0.00 O ATOM 4735 C3* A B 221 73.407 2.488 -66.567 1.00 0.00 C ATOM 4736 O3* A B 221 73.209 3.692 -67.453 1.00 0.00 O ATOM 4737 C2* A B 221 73.458 2.698 -65.056 1.00 0.00 C ATOM 4738 O2* A B 221 72.150 2.726 -64.507 1.00 0.00 O ATOM 4739 C1* A B 221 74.104 1.397 -64.586 1.00 0.00 C ATOM 4740 N9 A B 221 75.829 1.479 -64.367 1.00 0.00 N ATOM 4741 C8 A B 221 76.629 2.600 -64.316 1.00 0.00 C ATOM 4742 N7 A B 221 77.850 2.360 -63.938 1.00 0.00 N ATOM 4743 C5 A B 221 77.869 0.989 -63.723 1.00 0.00 C ATOM 4744 C6 A B 221 78.881 0.111 -63.307 1.00 0.00 C ATOM 4745 N6 A B 221 80.132 0.501 -63.017 1.00 0.00 N ATOM 4746 N1 A B 221 78.566 -1.194 -63.203 1.00 0.00 N ATOM 4747 C2 A B 221 77.325 -1.579 -63.487 1.00 0.00 C ATOM 4748 N3 A B 221 76.293 -0.852 -63.882 1.00 0.00 N ATOM 4749 C4 A B 221 76.641 0.447 -63.983 1.00 0.00 C ATOM 4750 P A B 222 72.716 5.316 -66.675 1.00 0.00 P ATOM 4751 O1P A B 222 71.505 5.789 -67.380 1.00 0.00 O ATOM 4752 O2P A B 222 73.863 6.247 -66.667 1.00 0.00 O ATOM 4753 O5* A B 222 72.274 4.958 -64.919 1.00 0.00 O ATOM 4754 C5* A B 222 72.253 5.541 -63.578 1.00 0.00 C ATOM 4755 C4* A B 222 73.401 4.911 -62.539 1.00 0.00 C ATOM 4756 O4* A B 222 73.005 3.792 -61.701 1.00 0.00 O ATOM 4757 C3* A B 222 74.324 4.286 -63.581 1.00 0.00 C ATOM 4758 O3* A B 222 75.229 5.525 -63.994 1.00 0.00 O ATOM 4759 C2* A B 222 75.050 3.218 -62.763 1.00 0.00 C ATOM 4760 O2* A B 222 76.044 3.806 -61.940 1.00 0.00 O ATOM 4761 C1* A B 222 73.937 2.732 -61.842 1.00 0.00 C ATOM 4762 N9 A B 222 73.081 1.319 -62.414 1.00 0.00 N ATOM 4763 C8 A B 222 71.763 1.215 -62.798 1.00 0.00 C ATOM 4764 N7 A B 222 71.370 -0.002 -63.007 1.00 0.00 N ATOM 4765 C5 A B 222 72.495 -0.767 -62.744 1.00 0.00 C ATOM 4766 C6 A B 222 72.727 -2.152 -62.789 1.00 0.00 C ATOM 4767 N6 A B 222 71.795 -3.051 -63.126 1.00 0.00 N ATOM 4768 N1 A B 222 73.965 -2.579 -62.471 1.00 0.00 N ATOM 4769 C2 A B 222 74.890 -1.681 -62.138 1.00 0.00 C ATOM 4770 N3 A B 222 74.790 -0.373 -62.065 1.00 0.00 N ATOM 4771 C4 A B 222 73.542 0.027 -62.386 1.00 0.00 C ATOM 4772 P A B 223 74.897 7.213 -63.275 1.00 0.00 P ATOM 4773 O1P A B 223 73.863 7.261 -62.216 1.00 0.00 O ATOM 4774 O2P A B 223 74.713 8.164 -64.398 1.00 0.00 O ATOM 4775 O5* A B 223 76.512 7.452 -62.474 1.00 0.00 O ATOM 4776 C5* A B 223 77.760 8.013 -62.123 1.00 0.00 C ATOM 4777 C4* A B 223 78.832 6.791 -62.217 1.00 0.00 C ATOM 4778 O4* A B 223 78.202 5.573 -62.711 1.00 0.00 O ATOM 4779 C3* A B 223 79.998 7.014 -63.177 1.00 0.00 C ATOM 4780 O3* A B 223 80.927 8.046 -62.667 1.00 0.00 O ATOM 4781 C2* A B 223 80.450 5.584 -63.471 1.00 0.00 C ATOM 4782 O2* A B 223 81.189 5.061 -62.382 1.00 0.00 O ATOM 4783 C1* A B 223 79.121 4.842 -63.501 1.00 0.00 C ATOM 4784 N9 A B 223 78.475 4.653 -65.001 1.00 0.00 N ATOM 4785 C8 A B 223 78.467 3.525 -65.791 1.00 0.00 C ATOM 4786 N7 A B 223 77.702 3.620 -66.838 1.00 0.00 N ATOM 4787 C5 A B 223 77.165 4.889 -66.744 1.00 0.00 C ATOM 4788 C6 A B 223 76.266 5.605 -67.557 1.00 0.00 C ATOM 4789 N6 A B 223 75.731 5.102 -68.678 1.00 0.00 N ATOM 4790 N1 A B 223 75.936 6.847 -67.172 1.00 0.00 N ATOM 4791 C2 A B 223 76.468 7.340 -66.056 1.00 0.00 C ATOM 4792 N3 A B 223 77.312 6.773 -65.217 1.00 0.00 N ATOM 4793 C4 A B 223 77.626 5.525 -65.628 1.00 0.00 C ATOM 4794 P U B 224 81.472 7.777 -60.914 1.00 0.00 P ATOM 4795 O1P U B 224 82.276 9.016 -60.799 1.00 0.00 O ATOM 4796 O2P U B 224 82.184 6.519 -60.595 1.00 0.00 O ATOM 4797 O5* U B 224 80.157 7.899 -60.015 1.00 0.00 O ATOM 4798 C5* U B 224 79.489 9.173 -59.922 1.00 0.00 C ATOM 4799 C4* U B 224 78.207 9.030 -59.127 1.00 0.00 C ATOM 4800 O4* U B 224 77.267 8.220 -59.892 1.00 0.00 O ATOM 4801 C3* U B 224 78.328 8.289 -57.795 1.00 0.00 C ATOM 4802 O3* U B 224 78.740 9.140 -56.771 1.00 0.00 O ATOM 4803 C2* U B 224 76.907 7.769 -57.588 1.00 0.00 C ATOM 4804 O2* U B 224 76.047 8.812 -57.160 1.00 0.00 O ATOM 4805 C1* U B 224 76.498 7.414 -59.014 1.00 0.00 C ATOM 4806 N1 U B 224 76.743 5.988 -59.368 1.00 0.00 N ATOM 4807 C2 U B 224 75.883 5.056 -58.833 1.00 0.00 C ATOM 4808 O2 U B 224 74.958 5.351 -58.096 1.00 0.00 O ATOM 4809 N3 U B 224 76.141 3.744 -59.182 1.00 0.00 N ATOM 4810 C4 U B 224 77.157 3.302 -60.007 1.00 0.00 C ATOM 4811 O4 U B 224 77.287 2.097 -60.247 1.00 0.00 O ATOM 4812 C5 U B 224 78.003 4.351 -60.517 1.00 0.00 C ATOM 4813 C6 U B 224 77.776 5.636 -60.194 1.00 0.00 C ATOM 4814 P C B 225 79.694 8.542 -55.588 1.00 0.00 P ATOM 4815 O1P C B 225 80.317 9.645 -54.825 1.00 0.00 O ATOM 4816 O2P C B 225 80.626 7.549 -56.161 1.00 0.00 O ATOM 4817 O5* C B 225 78.609 7.800 -54.675 1.00 0.00 O ATOM 4818 C5* C B 225 77.542 8.570 -54.089 1.00 0.00 C ATOM 4819 C4* C B 225 76.568 7.655 -53.377 1.00 0.00 C ATOM 4820 O4* C B 225 75.876 6.843 -54.368 1.00 0.00 O ATOM 4821 C3* C B 225 77.191 6.629 -52.430 1.00 0.00 C ATOM 4822 O3* C B 225 77.433 7.176 -51.171 1.00 0.00 O ATOM 4823 C2* C B 225 76.124 5.536 -52.400 1.00 0.00 C ATOM 4824 O2* C B 225 75.031 5.917 -51.587 1.00 0.00 O ATOM 4825 C1* C B 225 75.631 5.549 -53.843 1.00 0.00 C ATOM 4826 N1 C B 225 76.320 4.559 -54.723 1.00 0.00 N ATOM 4827 C2 C B 225 75.988 3.216 -54.571 1.00 0.00 C ATOM 4828 O2 C B 225 75.144 2.902 -53.724 1.00 0.00 O ATOM 4829 N3 C B 225 76.603 2.300 -55.361 1.00 0.00 N ATOM 4830 C4 C B 225 77.512 2.680 -56.267 1.00 0.00 C ATOM 4831 N4 C B 225 78.081 1.746 -57.015 1.00 0.00 N ATOM 4832 C5 C B 225 77.869 4.057 -56.439 1.00 0.00 C ATOM 4833 C6 C B 225 77.240 4.958 -55.643 1.00 0.00 C ATOM 4834 P A B 226 78.131 8.852 -50.976 1.00 0.00 P ATOM 4835 O1P A B 226 78.242 9.171 -49.533 1.00 0.00 O ATOM 4836 O2P A B 226 77.443 9.868 -51.806 1.00 0.00 O ATOM 4837 O5* A B 226 79.721 8.385 -51.722 1.00 0.00 O ATOM 4838 C5* A B 226 80.929 7.749 -51.296 1.00 0.00 C ATOM 4839 C4* A B 226 80.619 6.463 -50.363 1.00 0.00 C ATOM 4840 O4* A B 226 79.662 6.629 -49.283 1.00 0.00 O ATOM 4841 C3* A B 226 80.289 5.082 -50.934 1.00 0.00 C ATOM 4842 O3* A B 226 81.318 4.418 -51.848 1.00 0.00 O ATOM 4843 C2* A B 226 79.907 4.298 -49.677 1.00 0.00 C ATOM 4844 O2* A B 226 81.061 3.941 -48.934 1.00 0.00 O ATOM 4845 C1* A B 226 79.174 5.363 -48.867 1.00 0.00 C ATOM 4846 N9 A B 226 77.489 5.354 -49.048 1.00 0.00 N ATOM 4847 C8 A B 226 76.619 6.416 -48.972 1.00 0.00 C ATOM 4848 N7 A B 226 75.366 6.071 -48.967 1.00 0.00 N ATOM 4849 C5 A B 226 75.398 4.687 -49.042 1.00 0.00 C ATOM 4850 C6 A B 226 74.389 3.712 -49.077 1.00 0.00 C ATOM 4851 N6 A B 226 73.080 4.006 -49.034 1.00 0.00 N ATOM 4852 N1 A B 226 74.770 2.425 -49.150 1.00 0.00 N ATOM 4853 C2 A B 226 76.071 2.139 -49.189 1.00 0.00 C ATOM 4854 N3 A B 226 77.099 2.958 -49.165 1.00 0.00 N ATOM 4855 C4 A B 226 76.690 4.241 -49.092 1.00 0.00 C ATOM 4856 P A B 227 80.512 3.920 -53.406 1.00 0.00 P ATOM 4857 O1P A B 227 81.423 3.847 -54.572 1.00 0.00 O ATOM 4858 O2P A B 227 79.300 4.746 -53.590 1.00 0.00 O ATOM 4859 O5* A B 227 80.108 2.269 -52.757 1.00 0.00 O ATOM 4860 C5* A B 227 80.098 0.887 -53.146 1.00 0.00 C ATOM 4861 C4* A B 227 81.463 0.130 -52.760 1.00 0.00 C ATOM 4862 O4* A B 227 81.909 0.186 -51.376 1.00 0.00 O ATOM 4863 C3* A B 227 82.372 -0.925 -53.394 1.00 0.00 C ATOM 4864 O3* A B 227 82.605 -1.058 -54.885 1.00 0.00 O ATOM 4865 C2* A B 227 83.697 -0.683 -52.679 1.00 0.00 C ATOM 4866 O2* A B 227 84.344 0.471 -53.193 1.00 0.00 O ATOM 4867 C1* A B 227 83.224 -0.335 -51.270 1.00 0.00 C ATOM 4868 N9 A B 227 83.195 -1.625 -50.205 1.00 0.00 N ATOM 4869 C8 A B 227 84.163 -2.581 -49.996 1.00 0.00 C ATOM 4870 N7 A B 227 83.906 -3.375 -49.000 1.00 0.00 N ATOM 4871 C5 A B 227 82.694 -2.915 -48.510 1.00 0.00 C ATOM 4872 C6 A B 227 81.883 -3.339 -47.444 1.00 0.00 C ATOM 4873 N6 A B 227 82.188 -4.372 -46.646 1.00 0.00 N ATOM 4874 N1 A B 227 80.740 -2.660 -47.227 1.00 0.00 N ATOM 4875 C2 A B 227 80.442 -1.636 -48.025 1.00 0.00 C ATOM 4876 N3 A B 227 81.118 -1.151 -49.042 1.00 0.00 N ATOM 4877 C4 A B 227 82.257 -1.846 -49.235 1.00 0.00 C ATOM 4878 P C B 228 81.542 -0.259 -56.109 1.00 0.00 P ATOM 4879 O1P C B 228 82.286 0.742 -56.905 1.00 0.00 O ATOM 4880 O2P C B 228 80.214 0.170 -55.619 1.00 0.00 O ATOM 4881 O5* C B 228 81.502 -1.891 -56.899 1.00 0.00 O ATOM 4882 C5* C B 228 82.713 -2.622 -57.188 1.00 0.00 C ATOM 4883 C4* C B 228 83.035 -3.944 -56.303 1.00 0.00 C ATOM 4884 O4* C B 228 83.656 -3.864 -54.985 1.00 0.00 O ATOM 4885 C3* C B 228 82.176 -5.208 -56.229 1.00 0.00 C ATOM 4886 O3* C B 228 81.660 -5.849 -57.530 1.00 0.00 O ATOM 4887 C2* C B 228 83.039 -6.129 -55.362 1.00 0.00 C ATOM 4888 O2* C B 228 84.116 -6.657 -56.117 1.00 0.00 O ATOM 4889 C1* C B 228 83.641 -5.138 -54.370 1.00 0.00 C ATOM 4890 N1 C B 228 82.796 -5.010 -52.886 1.00 0.00 N ATOM 4891 C2 C B 228 82.823 -6.105 -52.024 1.00 0.00 C ATOM 4892 O2 C B 228 83.457 -7.113 -52.363 1.00 0.00 O ATOM 4893 N3 C B 228 82.154 -6.025 -50.846 1.00 0.00 N ATOM 4894 C4 C B 228 81.483 -4.914 -50.518 1.00 0.00 C ATOM 4895 N4 C B 228 80.842 -4.889 -49.357 1.00 0.00 N ATOM 4896 C5 C B 228 81.443 -3.781 -51.386 1.00 0.00 C ATOM 4897 C6 C B 228 82.118 -3.878 -52.557 1.00 0.00 C ATOM 4898 P C B 229 80.439 -4.998 -58.594 1.00 0.00 P ATOM 4899 O1P C B 229 81.075 -4.636 -59.879 1.00 0.00 O ATOM 4900 O2P C B 229 79.671 -3.919 -57.931 1.00 0.00 O ATOM 4901 O5* C B 229 79.460 -6.526 -58.757 1.00 0.00 O ATOM 4902 C5* C B 229 79.020 -7.836 -58.356 1.00 0.00 C ATOM 4903 C4* C B 229 78.831 -7.941 -56.739 1.00 0.00 C ATOM 4904 O4* C B 229 79.798 -7.153 -55.994 1.00 0.00 O ATOM 4905 C3* C B 229 77.500 -7.647 -56.054 1.00 0.00 C ATOM 4906 O3* C B 229 76.563 -8.944 -56.062 1.00 0.00 O ATOM 4907 C2* C B 229 77.918 -7.525 -54.587 1.00 0.00 C ATOM 4908 O2* C B 229 78.154 -8.801 -54.022 1.00 0.00 O ATOM 4909 C1* C B 229 79.273 -6.836 -54.714 1.00 0.00 C ATOM 4910 N1 C B 229 79.226 -5.086 -54.553 1.00 0.00 N ATOM 4911 C2 C B 229 78.127 -4.525 -53.905 1.00 0.00 C ATOM 4912 O2 C B 229 77.200 -5.263 -53.551 1.00 0.00 O ATOM 4913 N3 C B 229 78.121 -3.184 -53.680 1.00 0.00 N ATOM 4914 C4 C B 229 79.143 -2.419 -54.077 1.00 0.00 C ATOM 4915 N4 C B 229 79.087 -1.117 -53.840 1.00 0.00 N ATOM 4916 C5 C B 229 80.279 -2.979 -54.753 1.00 0.00 C ATOM 4917 C6 C B 229 80.270 -4.319 -54.962 1.00 0.00 C ATOM 4918 P G B 230 75.442 -8.867 -57.459 1.00 0.00 P ATOM 4919 O1P G B 230 74.580 -9.936 -58.014 1.00 0.00 O ATOM 4920 O2P G B 230 76.273 -8.138 -58.442 1.00 0.00 O ATOM 4921 O5* G B 230 74.549 -7.830 -56.629 1.00 0.00 O ATOM 4922 C5* G B 230 73.724 -8.319 -55.555 1.00 0.00 C ATOM 4923 C4* G B 230 73.070 -7.160 -54.833 1.00 0.00 C ATOM 4924 O4* G B 230 74.101 -6.400 -54.136 1.00 0.00 O ATOM 4925 C3* G B 230 72.385 -6.123 -55.722 1.00 0.00 C ATOM 4926 O3* G B 230 71.088 -6.513 -56.052 1.00 0.00 O ATOM 4927 C2* G B 230 72.419 -4.877 -54.845 1.00 0.00 C ATOM 4928 O2* G B 230 71.436 -4.949 -53.827 1.00 0.00 O ATOM 4929 C1* G B 230 73.776 -5.019 -54.162 1.00 0.00 C ATOM 4930 N9 G B 230 74.876 -4.296 -54.858 1.00 0.00 N ATOM 4931 C8 G B 230 75.900 -4.806 -55.624 1.00 0.00 C ATOM 4932 N7 G B 230 76.713 -3.894 -56.102 1.00 0.00 N ATOM 4933 C5 G B 230 76.189 -2.697 -55.617 1.00 0.00 C ATOM 4934 C6 G B 230 76.636 -1.363 -55.801 1.00 0.00 C ATOM 4935 O6 G B 230 77.605 -0.955 -56.435 1.00 0.00 O ATOM 4936 N1 G B 230 75.808 -0.449 -55.134 1.00 0.00 N ATOM 4937 C2 G B 230 74.693 -0.779 -54.390 1.00 0.00 C ATOM 4938 N2 G B 230 74.034 0.238 -53.832 1.00 0.00 N ATOM 4939 N3 G B 230 74.275 -2.033 -54.218 1.00 0.00 N ATOM 4940 C4 G B 230 75.066 -2.931 -54.857 1.00 0.00 C ATOM 4941 P A B 231 70.495 -6.101 -57.518 1.00 0.00 P ATOM 4942 O1P A B 231 69.284 -6.898 -57.823 1.00 0.00 O ATOM 4943 O2P A B 231 71.580 -6.166 -58.523 1.00 0.00 O ATOM 4944 O5* A B 231 70.087 -4.576 -57.258 1.00 0.00 O ATOM 4945 C5* A B 231 69.110 -4.275 -56.247 1.00 0.00 C ATOM 4946 C4* A B 231 68.972 -2.776 -56.086 1.00 0.00 C ATOM 4947 O4* A B 231 70.203 -2.247 -55.520 1.00 0.00 O ATOM 4948 C3* A B 231 68.792 -1.980 -57.381 1.00 0.00 C ATOM 4949 O3* A B 231 67.460 -1.955 -57.788 1.00 0.00 O ATOM 4950 C2* A B 231 69.313 -0.601 -56.987 1.00 0.00 C ATOM 4951 O2* A B 231 68.361 0.086 -56.196 1.00 0.00 O ATOM 4952 C1* A B 231 70.475 -0.966 -56.064 1.00 0.00 C ATOM 4953 N9 A B 231 71.790 -1.028 -56.758 1.00 0.00 N ATOM 4954 C8 A B 231 72.533 -2.134 -57.108 1.00 0.00 C ATOM 4955 N7 A B 231 73.650 -1.848 -57.708 1.00 0.00 N ATOM 4956 C5 A B 231 73.658 -0.464 -57.761 1.00 0.00 C ATOM 4957 C6 A B 231 74.580 0.461 -58.284 1.00 0.00 C ATOM 4958 N6 A B 231 75.727 0.101 -58.875 1.00 0.00 N ATOM 4959 N1 A B 231 74.278 1.763 -58.172 1.00 0.00 N ATOM 4960 C2 A B 231 73.136 2.114 -57.584 1.00 0.00 C ATOM 4961 N3 A B 231 72.201 1.347 -57.062 1.00 0.00 N ATOM 4962 C4 A B 231 72.529 0.044 -57.186 1.00 0.00 C ATOM 4963 P G B 232 66.675 -3.599 -57.939 1.00 0.00 P ATOM 4964 O1P G B 232 67.732 -4.632 -58.031 1.00 0.00 O ATOM 4965 O2P G B 232 65.492 -3.808 -58.804 1.00 0.00 O ATOM 4966 O5* G B 232 65.927 -3.079 -56.375 1.00 0.00 O ATOM 4967 C5* G B 232 65.167 -4.107 -55.790 1.00 0.00 C ATOM 4968 C4* G B 232 66.317 -5.007 -55.079 1.00 0.00 C ATOM 4969 O4* G B 232 66.169 -4.805 -53.644 1.00 0.00 O ATOM 4970 C3* G B 232 66.392 -6.529 -55.226 1.00 0.00 C ATOM 4971 O3* G B 232 67.105 -6.868 -56.578 1.00 0.00 O ATOM 4972 C2* G B 232 67.163 -6.938 -53.974 1.00 0.00 C ATOM 4973 O2* G B 232 68.543 -6.656 -54.122 1.00 0.00 O ATOM 4974 C1* G B 232 66.616 -5.951 -52.945 1.00 0.00 C ATOM 4975 N9 G B 232 65.308 -6.552 -51.998 1.00 0.00 N ATOM 4976 C8 G B 232 65.333 -7.433 -50.938 1.00 0.00 C ATOM 4977 N7 G B 232 64.158 -7.635 -50.385 1.00 0.00 N ATOM 4978 C5 G B 232 63.297 -6.830 -51.132 1.00 0.00 C ATOM 4979 C6 G B 232 61.897 -6.633 -51.013 1.00 0.00 C ATOM 4980 O6 G B 232 61.117 -7.129 -50.205 1.00 0.00 O ATOM 4981 N1 G B 232 61.422 -5.734 -51.979 1.00 0.00 N ATOM 4982 C2 G B 232 62.198 -5.108 -52.938 1.00 0.00 C ATOM 4983 N2 G B 232 61.557 -4.285 -53.765 1.00 0.00 N ATOM 4984 N3 G B 232 63.510 -5.297 -53.050 1.00 0.00 N ATOM 4985 C4 G B 232 63.990 -6.170 -52.121 1.00 0.00 C ATOM 4986 P A B 233 66.388 -7.851 -57.965 1.00 0.00 P ATOM 4987 O1P A B 233 65.688 -9.051 -57.444 1.00 0.00 O ATOM 4988 O2P A B 233 67.412 -8.105 -59.004 1.00 0.00 O ATOM 4989 O5* A B 233 65.280 -6.563 -58.677 1.00 0.00 O ATOM 4990 C5* A B 233 64.343 -6.784 -59.764 1.00 0.00 C ATOM 4991 C4* A B 233 64.282 -5.998 -61.216 1.00 0.00 C ATOM 4992 O4* A B 233 62.895 -5.624 -61.462 1.00 0.00 O ATOM 4993 C3* A B 233 65.084 -4.833 -61.793 1.00 0.00 C ATOM 4994 O3* A B 233 66.607 -5.080 -62.157 1.00 0.00 O ATOM 4995 C2* A B 233 64.254 -4.444 -63.014 1.00 0.00 C ATOM 4996 O2* A B 233 64.456 -5.365 -64.073 1.00 0.00 O ATOM 4997 C1* A B 233 62.833 -4.662 -62.503 1.00 0.00 C ATOM 4998 N9 A B 233 62.075 -3.264 -61.896 1.00 0.00 N ATOM 4999 C8 A B 233 62.094 -2.766 -60.607 1.00 0.00 C ATOM 5000 N7 A B 233 61.535 -1.600 -60.489 1.00 0.00 N ATOM 5001 C5 A B 233 61.121 -1.288 -61.778 1.00 0.00 C ATOM 5002 C6 A B 233 60.459 -0.173 -62.319 1.00 0.00 C ATOM 5003 N6 A B 233 60.084 0.888 -61.589 1.00 0.00 N ATOM 5004 N1 A B 233 60.199 -0.189 -63.635 1.00 0.00 N ATOM 5005 C2 A B 233 60.575 -1.248 -64.352 1.00 0.00 C ATOM 5006 N3 A B 233 61.196 -2.337 -63.961 1.00 0.00 N ATOM 5007 C4 A B 233 61.445 -2.296 -62.639 1.00 0.00 C ATOM 5008 P U B 234 67.957 -3.800 -62.222 1.00 0.00 P ATOM 5009 O1P U B 234 68.406 -3.407 -63.575 1.00 0.00 O ATOM 5010 O2P U B 234 69.026 -4.208 -61.284 1.00 0.00 O ATOM 5011 O5* U B 234 67.089 -2.623 -61.575 1.00 0.00 O ATOM 5012 C5* U B 234 65.911 -2.957 -60.823 1.00 0.00 C ATOM 5013 C4* U B 234 65.318 -1.706 -60.202 1.00 0.00 C ATOM 5014 O4* U B 234 66.230 -1.212 -59.180 1.00 0.00 O ATOM 5015 C3* U B 234 65.142 -0.514 -61.143 1.00 0.00 C ATOM 5016 O3* U B 234 63.946 -0.600 -61.857 1.00 0.00 O ATOM 5017 C2* U B 234 65.167 0.667 -60.174 1.00 0.00 C ATOM 5018 O2* U B 234 63.934 0.771 -59.480 1.00 0.00 O ATOM 5019 C1* U B 234 66.208 0.206 -59.159 1.00 0.00 C ATOM 5020 N1 U B 234 67.582 0.693 -59.453 1.00 0.00 N ATOM 5021 C2 U B 234 67.846 2.020 -59.206 1.00 0.00 C ATOM 5022 O2 U B 234 67.007 2.789 -58.763 1.00 0.00 O ATOM 5023 N3 U B 234 69.132 2.434 -59.488 1.00 0.00 N ATOM 5024 C4 U B 234 70.153 1.653 -59.989 1.00 0.00 C ATOM 5025 O4 U B 234 71.267 2.138 -60.205 1.00 0.00 O ATOM 5026 C5 U B 234 69.782 0.277 -60.217 1.00 0.00 C ATOM 5027 C6 U B 234 68.539 -0.155 -59.949 1.00 0.00 C ATOM 5028 P U B 235 64.358 -0.212 -63.691 1.00 0.00 P ATOM 5029 O1P U B 235 63.272 -0.860 -64.462 1.00 0.00 O ATOM 5030 O2P U B 235 65.682 -0.177 -64.348 1.00 0.00 O ATOM 5031 O5* U B 235 63.916 1.274 -63.282 1.00 0.00 O ATOM 5032 C5* U B 235 62.693 1.461 -62.549 1.00 0.00 C ATOM 5033 C4* U B 235 62.539 2.917 -62.162 1.00 0.00 C ATOM 5034 O4* U B 235 63.566 3.255 -61.183 1.00 0.00 O ATOM 5035 C3* U B 235 62.754 3.930 -63.286 1.00 0.00 C ATOM 5036 O3* U B 235 61.594 4.117 -64.037 1.00 0.00 O ATOM 5037 C2* U B 235 63.160 5.186 -62.513 1.00 0.00 C ATOM 5038 O2* U B 235 62.032 5.792 -61.910 1.00 0.00 O ATOM 5039 C1* U B 235 64.001 4.590 -61.387 1.00 0.00 C ATOM 5040 N1 U B 235 65.462 4.556 -61.683 1.00 0.00 N ATOM 5041 C2 U B 235 66.137 5.753 -61.633 1.00 0.00 C ATOM 5042 O2 U B 235 65.596 6.810 -61.361 1.00 0.00 O ATOM 5043 N3 U B 235 67.488 5.682 -61.915 1.00 0.00 N ATOM 5044 C4 U B 235 68.200 4.544 -62.233 1.00 0.00 C ATOM 5045 O4 U B 235 69.410 4.605 -62.463 1.00 0.00 O ATOM 5046 C5 U B 235 67.404 3.340 -62.261 1.00 0.00 C ATOM 5047 C6 U B 235 66.089 3.380 -61.993 1.00 0.00 C ATOM 5048 P C B 236 61.733 4.421 -65.633 1.00 0.00 P ATOM 5049 O1P C B 236 60.430 4.220 -66.309 1.00 0.00 O ATOM 5050 O2P C B 236 62.869 3.648 -66.185 1.00 0.00 O ATOM 5051 O5* C B 236 62.096 5.979 -65.612 1.00 0.00 O ATOM 5052 C5* C B 236 61.162 6.907 -65.031 1.00 0.00 C ATOM 5053 C4* C B 236 61.761 8.297 -65.002 1.00 0.00 C ATOM 5054 O4* C B 236 62.871 8.315 -64.058 1.00 0.00 O ATOM 5055 C3* C B 236 62.383 8.780 -66.312 1.00 0.00 C ATOM 5056 O3* C B 236 61.421 9.324 -67.165 1.00 0.00 O ATOM 5057 C2* C B 236 63.391 9.818 -65.824 1.00 0.00 C ATOM 5058 O2* C B 236 62.737 11.023 -65.457 1.00 0.00 O ATOM 5059 C1* C B 236 63.893 9.177 -64.535 1.00 0.00 C ATOM 5060 N1 C B 236 65.134 8.370 -64.711 1.00 0.00 N ATOM 5061 C2 C B 236 66.331 9.053 -64.893 1.00 0.00 C ATOM 5062 O2 C B 236 66.319 10.287 -64.902 1.00 0.00 O ATOM 5063 N3 C B 236 67.473 8.333 -65.055 1.00 0.00 N ATOM 5064 C4 C B 236 67.443 6.993 -65.041 1.00 0.00 C ATOM 5065 N4 C B 236 68.586 6.342 -65.203 1.00 0.00 N ATOM 5066 C5 C B 236 66.221 6.274 -64.856 1.00 0.00 C ATOM 5067 C6 C B 236 65.091 7.010 -64.693 1.00 0.00 C ATOM 5068 P C B 237 61.607 9.136 -68.778 1.00 0.00 P ATOM 5069 O1P C B 237 60.342 9.444 -69.478 1.00 0.00 O ATOM 5070 O2P C B 237 62.192 7.805 -69.051 1.00 0.00 O ATOM 5071 O5* C B 237 62.687 10.275 -69.088 1.00 0.00 O ATOM 5072 C5* C B 237 62.359 11.646 -68.803 1.00 0.00 C ATOM 5073 C4* C B 237 63.561 12.533 -69.056 1.00 0.00 C ATOM 5074 O4* C B 237 64.585 12.230 -68.067 1.00 0.00 O ATOM 5075 C3* C B 237 64.270 12.328 -70.395 1.00 0.00 C ATOM 5076 O3* C B 237 63.653 13.051 -71.414 1.00 0.00 O ATOM 5077 C2* C B 237 65.680 12.826 -70.090 1.00 0.00 C ATOM 5078 O2* C B 237 65.719 14.243 -70.058 1.00 0.00 O ATOM 5079 C1* C B 237 65.872 12.345 -68.654 1.00 0.00 C ATOM 5080 N1 C B 237 66.546 11.022 -68.552 1.00 0.00 N ATOM 5081 C2 C B 237 67.916 10.972 -68.803 1.00 0.00 C ATOM 5082 O2 C B 237 68.507 12.014 -69.099 1.00 0.00 O ATOM 5083 N3 C B 237 68.550 9.773 -68.714 1.00 0.00 N ATOM 5084 C4 C B 237 67.871 8.663 -68.391 1.00 0.00 C ATOM 5085 N4 C B 237 68.536 7.520 -68.319 1.00 0.00 N ATOM 5086 C5 C B 237 66.463 8.695 -68.130 1.00 0.00 C ATOM 5087 C6 C B 237 65.848 9.902 -68.224 1.00 0.00 C ATOM 5088 P C B 238 63.638 12.424 -72.923 1.00 0.00 P ATOM 5089 O1P C B 238 62.647 13.132 -73.763 1.00 0.00 O ATOM 5090 O2P C B 238 63.481 10.955 -72.842 1.00 0.00 O ATOM 5091 O5* C B 238 65.119 12.783 -73.414 1.00 0.00 O ATOM 5092 C5* C B 238 65.517 14.165 -73.479 1.00 0.00 C ATOM 5093 C4* C B 238 66.984 14.266 -73.843 1.00 0.00 C ATOM 5094 O4* C B 238 67.782 13.744 -72.742 1.00 0.00 O ATOM 5095 C3* C B 238 67.430 13.434 -75.047 1.00 0.00 C ATOM 5096 O3* C B 238 67.193 14.098 -76.246 1.00 0.00 O ATOM 5097 C2* C B 238 68.919 13.238 -74.765 1.00 0.00 C ATOM 5098 O2* C B 238 69.647 14.418 -75.062 1.00 0.00 O ATOM 5099 C1* C B 238 68.925 13.077 -73.249 1.00 0.00 C ATOM 5100 N1 C B 238 68.872 11.660 -72.794 1.00 0.00 N ATOM 5101 C2 C B 238 70.025 10.892 -72.930 1.00 0.00 C ATOM 5102 O2 C B 238 71.034 11.414 -73.414 1.00 0.00 O ATOM 5103 N3 C B 238 69.995 9.598 -72.521 1.00 0.00 N ATOM 5104 C4 C B 238 68.880 9.070 -72.001 1.00 0.00 C ATOM 5105 N4 C B 238 68.905 7.801 -71.616 1.00 0.00 N ATOM 5106 C5 C B 238 67.684 9.844 -71.852 1.00 0.00 C ATOM 5107 C6 C B 238 67.734 11.135 -72.265 1.00 0.00 C ATOM 5108 P C B 239 66.791 13.223 -77.563 1.00 0.00 P ATOM 5109 O1P C B 239 66.229 14.102 -78.613 1.00 0.00 O ATOM 5110 O2P C B 239 65.942 12.083 -77.157 1.00 0.00 O ATOM 5111 O5* C B 239 68.231 12.691 -78.019 1.00 0.00 O ATOM 5112 C5* C B 239 69.247 13.645 -78.371 1.00 0.00 C ATOM 5113 C4* C B 239 70.556 12.929 -78.648 1.00 0.00 C ATOM 5114 O4* C B 239 71.053 12.363 -77.402 1.00 0.00 O ATOM 5115 C3* C B 239 70.473 11.728 -79.590 1.00 0.00 C ATOM 5116 O3* C B 239 70.527 12.120 -80.925 1.00 0.00 O ATOM 5117 C2* C B 239 71.689 10.905 -79.169 1.00 0.00 C ATOM 5118 O2* C B 239 72.883 11.477 -79.676 1.00 0.00 O ATOM 5119 C1* C B 239 71.699 11.125 -77.658 1.00 0.00 C ATOM 5120 N1 C B 239 70.982 10.066 -76.894 1.00 0.00 N ATOM 5121 C2 C B 239 71.604 8.827 -76.766 1.00 0.00 C ATOM 5122 O2 C B 239 72.713 8.658 -77.286 1.00 0.00 O ATOM 5123 N3 C B 239 70.967 7.847 -76.071 1.00 0.00 N ATOM 5124 C4 C B 239 69.768 8.068 -75.524 1.00 0.00 C ATOM 5125 N4 C B 239 69.189 7.081 -74.857 1.00 0.00 N ATOM 5126 C5 C B 239 69.113 9.337 -75.643 1.00 0.00 C ATOM 5127 C6 C B 239 69.765 10.303 -76.338 1.00 0.00 C ATOM 5128 P C B 240 68.829 10.925 -80.784 1.00 0.00 P ATOM 5129 O1P C B 240 68.511 10.653 -79.362 1.00 0.00 O ATOM 5130 O2P C B 240 68.988 9.729 -81.643 1.00 0.00 O ATOM 5131 O5* C B 240 67.319 12.110 -80.948 1.00 0.00 O ATOM 5132 C5* C B 240 65.782 12.372 -80.740 1.00 0.00 C ATOM 5133 C4* C B 240 64.436 13.148 -81.484 1.00 0.00 C ATOM 5134 O4* C B 240 63.583 14.048 -80.721 1.00 0.00 O ATOM 5135 C3* C B 240 63.638 12.868 -82.758 1.00 0.00 C ATOM 5136 O3* C B 240 63.953 11.833 -83.832 1.00 0.00 O ATOM 5137 C2* C B 240 62.203 12.835 -82.233 1.00 0.00 C ATOM 5138 O2* C B 240 61.942 11.612 -81.557 1.00 0.00 O ATOM 5139 C1* C B 240 62.242 13.928 -81.167 1.00 0.00 C ATOM 5140 N1 C B 240 61.703 15.491 -81.711 1.00 0.00 N ATOM 5141 C2 C B 240 60.338 15.768 -81.639 1.00 0.00 C ATOM 5142 O2 C B 240 59.574 14.878 -81.247 1.00 0.00 O ATOM 5143 N3 C B 240 59.905 17.002 -82.001 1.00 0.00 N ATOM 5144 C4 C B 240 60.767 17.932 -82.425 1.00 0.00 C ATOM 5145 N4 C B 240 60.293 19.120 -82.765 1.00 0.00 N ATOM 5146 C5 C B 240 62.174 17.671 -82.507 1.00 0.00 C ATOM 5147 C6 C B 240 62.589 16.430 -82.144 1.00 0.00 C ATOM 5148 P A B 241 62.534 11.371 -84.914 1.00 0.00 P ATOM 5149 O1P A B 241 61.207 11.504 -84.275 1.00 0.00 O ATOM 5150 O2P A B 241 62.825 10.055 -85.524 1.00 0.00 O ATOM 5151 O5* A B 241 62.734 12.771 -86.074 1.00 0.00 O ATOM 5152 C5* A B 241 62.377 12.835 -87.475 1.00 0.00 C ATOM 5153 C4* A B 241 63.693 12.508 -88.388 1.00 0.00 C ATOM 5154 O4* A B 241 64.544 13.681 -88.531 1.00 0.00 O ATOM 5155 C3* A B 241 64.655 11.413 -87.933 1.00 0.00 C ATOM 5156 O3* A B 241 64.323 9.971 -88.384 1.00 0.00 O ATOM 5157 C2* A B 241 65.924 11.759 -88.704 1.00 0.00 C ATOM 5158 O2* A B 241 65.808 11.364 -90.061 1.00 0.00 O ATOM 5159 C1* A B 241 65.897 13.278 -88.678 1.00 0.00 C ATOM 5160 N9 A B 241 66.802 13.981 -87.426 1.00 0.00 N ATOM 5161 C8 A B 241 68.168 14.092 -87.324 1.00 0.00 C ATOM 5162 N7 A B 241 68.560 14.843 -86.337 1.00 0.00 N ATOM 5163 C5 A B 241 67.377 15.260 -85.743 1.00 0.00 C ATOM 5164 C6 A B 241 67.119 16.094 -84.638 1.00 0.00 C ATOM 5165 N6 A B 241 68.077 16.664 -83.902 1.00 0.00 N ATOM 5166 N1 A B 241 65.828 16.299 -84.317 1.00 0.00 N ATOM 5167 C2 A B 241 64.879 15.725 -85.053 1.00 0.00 C ATOM 5168 N3 A B 241 65.004 14.938 -86.103 1.00 0.00 N ATOM 5169 C4 A B 241 66.303 14.741 -86.401 1.00 0.00 C ATOM 5170 P G B 242 65.545 8.766 -87.646 1.00 0.00 P ATOM 5171 O1P G B 242 64.890 8.475 -86.351 1.00 0.00 O ATOM 5172 O2P G B 242 66.890 9.373 -87.565 1.00 0.00 O ATOM 5173 O5* G B 242 65.671 7.093 -88.436 1.00 0.00 O ATOM 5174 C5* G B 242 66.125 5.702 -88.341 1.00 0.00 C ATOM 5175 C4* G B 242 66.539 5.286 -89.880 1.00 0.00 C ATOM 5176 O4* G B 242 66.404 6.543 -90.601 1.00 0.00 O ATOM 5177 C3* G B 242 67.967 4.833 -90.192 1.00 0.00 C ATOM 5178 O3* G B 242 68.274 3.365 -89.835 1.00 0.00 O ATOM 5179 C2* G B 242 68.137 5.290 -91.637 1.00 0.00 C ATOM 5180 O2* G B 242 67.456 4.421 -92.527 1.00 0.00 O ATOM 5181 C1* G B 242 67.377 6.612 -91.636 1.00 0.00 C ATOM 5182 N9 G B 242 68.362 8.013 -91.365 1.00 0.00 N ATOM 5183 C8 G B 242 68.330 9.233 -92.001 1.00 0.00 C ATOM 5184 N7 G B 242 69.137 10.127 -91.485 1.00 0.00 N ATOM 5185 C5 G B 242 69.756 9.448 -90.434 1.00 0.00 C ATOM 5186 C6 G B 242 70.735 9.894 -89.511 1.00 0.00 C ATOM 5187 O6 G B 242 71.269 10.995 -89.425 1.00 0.00 O ATOM 5188 N1 G B 242 71.082 8.880 -88.604 1.00 0.00 N ATOM 5189 C2 G B 242 70.553 7.604 -88.598 1.00 0.00 C ATOM 5190 N2 G B 242 71.019 6.782 -87.653 1.00 0.00 N ATOM 5191 N3 G B 242 69.639 7.182 -89.469 1.00 0.00 N ATOM 5192 C4 G B 242 69.287 8.155 -90.353 1.00 0.00 C ATOM 5193 P U B 243 67.001 2.072 -90.098 1.00 0.00 P ATOM 5194 O1P U B 243 66.540 2.009 -91.502 1.00 0.00 O ATOM 5195 O2P U B 243 65.941 2.076 -89.069 1.00 0.00 O ATOM 5196 O5* U B 243 68.279 0.807 -89.814 1.00 0.00 O ATOM 5197 C5* U B 243 69.232 0.645 -90.877 1.00 0.00 C ATOM 5198 C4* U B 243 70.766 0.901 -90.414 1.00 0.00 C ATOM 5199 O4* U B 243 71.205 0.105 -89.276 1.00 0.00 O ATOM 5200 C3* U B 243 71.909 0.759 -91.424 1.00 0.00 C ATOM 5201 O3* U B 243 71.874 1.309 -92.832 1.00 0.00 O ATOM 5202 C2* U B 243 73.135 0.730 -90.514 1.00 0.00 C ATOM 5203 O2* U B 243 73.447 2.028 -90.039 1.00 0.00 O ATOM 5204 C1* U B 243 72.612 -0.063 -89.321 1.00 0.00 C ATOM 5205 N1 U B 243 72.949 -1.720 -89.373 1.00 0.00 N ATOM 5206 C2 U B 243 74.256 -2.086 -89.589 1.00 0.00 C ATOM 5207 O2 U B 243 75.153 -1.279 -89.759 1.00 0.00 O ATOM 5208 N3 U B 243 74.498 -3.447 -89.599 1.00 0.00 N ATOM 5209 C4 U B 243 73.563 -4.447 -89.420 1.00 0.00 C ATOM 5210 O4 U B 243 73.899 -5.633 -89.451 1.00 0.00 O ATOM 5211 C5 U B 243 72.220 -3.963 -89.201 1.00 0.00 C ATOM 5212 C6 U B 243 71.958 -2.644 -89.190 1.00 0.00 C ATOM 5213 P A B 244 72.011 -0.035 -94.076 1.00 0.00 P ATOM 5214 O1P A B 244 72.869 -1.138 -93.578 1.00 0.00 O ATOM 5215 O2P A B 244 72.359 0.493 -95.408 1.00 0.00 O ATOM 5216 O5* A B 244 70.241 -0.462 -93.963 1.00 0.00 O ATOM 5217 C5* A B 244 68.960 -1.110 -93.801 1.00 0.00 C ATOM 5218 C4* A B 244 68.074 -1.319 -95.159 1.00 0.00 C ATOM 5219 O4* A B 244 68.684 -0.947 -96.428 1.00 0.00 O ATOM 5220 C3* A B 244 67.316 -2.608 -95.482 1.00 0.00 C ATOM 5221 O3* A B 244 66.604 -3.450 -94.478 1.00 0.00 O ATOM 5222 C2* A B 244 66.827 -2.352 -96.901 1.00 0.00 C ATOM 5223 O2* A B 244 65.717 -1.472 -96.900 1.00 0.00 O ATOM 5224 C1* A B 244 68.003 -1.582 -97.496 1.00 0.00 C ATOM 5225 N9 A B 244 69.118 -2.539 -98.347 1.00 0.00 N ATOM 5226 C8 A B 244 70.491 -2.449 -98.358 1.00 0.00 C ATOM 5227 N7 A B 244 71.063 -3.215 -99.230 1.00 0.00 N ATOM 5228 C5 A B 244 70.005 -3.872 -99.850 1.00 0.00 C ATOM 5229 C6 A B 244 69.952 -4.829-100.872 1.00 0.00 C ATOM 5230 N6 A B 244 71.039 -5.318-101.485 1.00 0.00 N ATOM 5231 N1 A B 244 68.735 -5.267-101.247 1.00 0.00 N ATOM 5232 C2 A B 244 67.661 -4.772-100.636 1.00 0.00 C ATOM 5233 N3 A B 244 67.587 -3.882 -99.677 1.00 0.00 N ATOM 5234 C4 A B 244 68.819 -3.461 -99.313 1.00 0.00 C ATOM 5235 P G B 245 66.599 -5.264 -94.334 1.00 0.00 P ATOM 5236 O1P G B 245 67.287 -5.572 -93.062 1.00 0.00 O ATOM 5237 O2P G B 245 66.704 -6.299 -95.389 1.00 0.00 O ATOM 5238 O5* G B 245 65.060 -4.935 -94.054 1.00 0.00 O ATOM 5239 C5* G B 245 64.216 -5.962 -93.502 1.00 0.00 C ATOM 5240 C4* G B 245 62.840 -5.399 -93.201 1.00 0.00 C ATOM 5241 O4* G B 245 62.951 -4.442 -92.108 1.00 0.00 O ATOM 5242 C3* G B 245 62.188 -4.596 -94.328 1.00 0.00 C ATOM 5243 O3* G B 245 61.536 -5.427 -95.236 1.00 0.00 O ATOM 5244 C2* G B 245 61.228 -3.692 -93.560 1.00 0.00 C ATOM 5245 O2* G B 245 60.083 -4.413 -93.141 1.00 0.00 O ATOM 5246 C1* G B 245 62.038 -3.377 -92.305 1.00 0.00 C ATOM 5247 N9 G B 245 62.818 -2.113 -92.398 1.00 0.00 N ATOM 5248 C8 G B 245 64.173 -1.936 -92.569 1.00 0.00 C ATOM 5249 N7 G B 245 64.546 -0.678 -92.610 1.00 0.00 N ATOM 5250 C5 G B 245 63.355 0.026 -92.457 1.00 0.00 C ATOM 5251 C6 G B 245 63.119 1.425 -92.423 1.00 0.00 C ATOM 5252 O6 G B 245 63.927 2.346 -92.520 1.00 0.00 O ATOM 5253 N1 G B 245 61.758 1.709 -92.251 1.00 0.00 N ATOM 5254 C2 G B 245 60.755 0.768 -92.130 1.00 0.00 C ATOM 5255 N2 G B 245 59.517 1.242 -91.975 1.00 0.00 N ATOM 5256 N3 G B 245 60.979 -0.544 -92.164 1.00 0.00 N ATOM 5257 C4 G B 245 62.294 -0.840 -92.327 1.00 0.00 C ATOM 5258 P C B 246 61.507 -5.000 -96.812 1.00 0.00 P ATOM 5259 O1P C B 246 61.107 -6.152 -97.648 1.00 0.00 O ATOM 5260 O2P C B 246 62.793 -4.356 -97.169 1.00 0.00 O ATOM 5261 O5* C B 246 60.340 -3.905 -96.803 1.00 0.00 O ATOM 5262 C5* C B 246 59.018 -4.299 -96.394 1.00 0.00 C ATOM 5263 C4* C B 246 58.108 -3.088 -96.344 1.00 0.00 C ATOM 5264 O4* C B 246 58.542 -2.216 -95.260 1.00 0.00 O ATOM 5265 C3* C B 246 58.137 -2.181 -97.577 1.00 0.00 C ATOM 5266 O3* C B 246 57.282 -2.651 -98.576 1.00 0.00 O ATOM 5267 C2* C B 246 57.685 -0.843 -96.999 1.00 0.00 C ATOM 5268 O2* C B 246 56.285 -0.832 -96.778 1.00 0.00 O ATOM 5269 C1* C B 246 58.353 -0.857 -95.627 1.00 0.00 C ATOM 5270 N1 C B 246 59.681 -0.184 -95.600 1.00 0.00 N ATOM 5271 C2 C B 246 59.704 1.207 -95.647 1.00 0.00 C ATOM 5272 O2 C B 246 58.630 1.819 -95.707 1.00 0.00 O ATOM 5273 N3 C B 246 60.902 1.840 -95.622 1.00 0.00 N ATOM 5274 C4 C B 246 62.043 1.142 -95.554 1.00 0.00 C ATOM 5275 N4 C B 246 63.186 1.809 -95.533 1.00 0.00 N ATOM 5276 C5 C B 246 62.041 -0.289 -95.504 1.00 0.00 C ATOM 5277 C6 C B 246 60.833 -0.903 -95.533 1.00 0.00 C ATOM 5278 P G B 247 57.841 -4.037 -99.634 1.00 0.00 P ATOM 5279 O1P G B 247 56.694 -4.605-100.383 1.00 0.00 O ATOM 5280 O2P G B 247 58.703 -5.016 -98.940 1.00 0.00 O ATOM 5281 O5* G B 247 58.836 -2.886-100.623 1.00 0.00 O ATOM 5282 C5* G B 247 59.829 -1.914-100.288 1.00 0.00 C ATOM 5283 C4* G B 247 60.111 -0.873-101.493 1.00 0.00 C ATOM 5284 O4* G B 247 59.104 0.147-101.762 1.00 0.00 O ATOM 5285 C3* G B 247 61.436 -0.145-101.692 1.00 0.00 C ATOM 5286 O3* G B 247 62.705 -1.001-101.836 1.00 0.00 O ATOM 5287 C2* G B 247 61.117 0.797-102.853 1.00 0.00 C ATOM 5288 O2* G B 247 61.088 0.089-104.079 1.00 0.00 O ATOM 5289 C1* G B 247 59.679 1.192-102.535 1.00 0.00 C ATOM 5290 N9 G B 247 59.516 2.666-101.658 1.00 0.00 N ATOM 5291 C8 G B 247 59.110 2.865-100.353 1.00 0.00 C ATOM 5292 N7 G B 247 58.990 4.125-100.019 1.00 0.00 N ATOM 5293 C5 G B 247 59.338 4.814-101.181 1.00 0.00 C ATOM 5294 C6 G B 247 59.393 6.205-101.431 1.00 0.00 C ATOM 5295 O6 G B 247 59.144 7.138-100.673 1.00 0.00 O ATOM 5296 N1 G B 247 59.793 6.473-102.749 1.00 0.00 N ATOM 5297 C2 G B 247 60.102 5.517-103.699 1.00 0.00 C ATOM 5298 N2 G B 247 60.467 5.973-104.895 1.00 0.00 N ATOM 5299 N3 G B 247 60.051 4.206-103.459 1.00 0.00 N ATOM 5300 C4 G B 247 59.661 3.932-102.185 1.00 0.00 C ATOM 5301 P G B 248 63.467 -1.662-100.309 1.00 0.00 P ATOM 5302 O1P G B 248 62.803 -2.912 -99.861 1.00 0.00 O ATOM 5303 O2P G B 248 63.665 -0.630 -99.269 1.00 0.00 O ATOM 5304 O5* G B 248 65.009 -2.012-101.212 1.00 0.00 O ATOM 5305 C5* G B 248 66.169 -2.572-101.843 1.00 0.00 C ATOM 5306 C4* G B 248 66.717 -1.742-103.130 1.00 0.00 C ATOM 5307 O4* G B 248 65.779 -1.535-104.220 1.00 0.00 O ATOM 5308 C3* G B 248 67.476 -0.414-103.040 1.00 0.00 C ATOM 5309 O3* G B 248 68.731 -0.262-102.190 1.00 0.00 O ATOM 5310 C2* G B 248 67.568 -0.005-104.509 1.00 0.00 C ATOM 5311 O2* G B 248 68.569 -0.757-105.177 1.00 0.00 O ATOM 5312 C1* G B 248 66.225 -0.474-105.049 1.00 0.00 C ATOM 5313 N9 G B 248 65.005 0.735-105.083 1.00 0.00 N ATOM 5314 C8 G B 248 63.756 0.730-104.500 1.00 0.00 C ATOM 5315 N7 G B 248 63.025 1.778-104.790 1.00 0.00 N ATOM 5316 C5 G B 248 63.844 2.532-105.629 1.00 0.00 C ATOM 5317 C6 G B 248 63.603 3.773-106.267 1.00 0.00 C ATOM 5318 O6 G B 248 62.596 4.479-106.224 1.00 0.00 O ATOM 5319 N1 G B 248 64.709 4.185-107.028 1.00 0.00 N ATOM 5320 C2 G B 248 65.892 3.481-107.154 1.00 0.00 C ATOM 5321 N2 G B 248 66.826 4.042-107.928 1.00 0.00 N ATOM 5322 N3 G B 248 66.116 2.313-106.556 1.00 0.00 N ATOM 5323 C4 G B 248 65.055 1.904-105.815 1.00 0.00 C ATOM 5324 P C B 249 68.457 -0.079-100.395 1.00 0.00 P ATOM 5325 O1P C B 249 67.688 -1.258 -99.932 1.00 0.00 O ATOM 5326 O2P C B 249 67.977 1.233 -99.916 1.00 0.00 O ATOM 5327 O5* C B 249 70.259 -0.135-100.132 1.00 0.00 O ATOM 5328 C5* C B 249 71.357 0.808-100.178 1.00 0.00 C ATOM 5329 C4* C B 249 71.123 2.120-101.125 1.00 0.00 C ATOM 5330 O4* C B 249 70.164 2.001-102.216 1.00 0.00 O ATOM 5331 C3* C B 249 70.880 3.527-100.579 1.00 0.00 C ATOM 5332 O3* C B 249 71.914 4.102 -99.612 1.00 0.00 O ATOM 5333 C2* C B 249 70.570 4.312-101.847 1.00 0.00 C ATOM 5334 O2* C B 249 71.756 4.580-102.581 1.00 0.00 O ATOM 5335 C1* C B 249 69.772 3.292-102.650 1.00 0.00 C ATOM 5336 N1 C B 249 68.071 3.423-102.482 1.00 0.00 N ATOM 5337 C2 C B 249 67.408 4.361-103.275 1.00 0.00 C ATOM 5338 O2 C B 249 68.072 5.052-104.063 1.00 0.00 O ATOM 5339 N3 C B 249 66.061 4.481-103.157 1.00 0.00 N ATOM 5340 C4 C B 249 65.381 3.714-102.294 1.00 0.00 C ATOM 5341 N4 C B 249 64.069 3.869-102.217 1.00 0.00 N ATOM 5342 C5 C B 249 66.044 2.748-101.474 1.00 0.00 C ATOM 5343 C6 C B 249 67.388 2.640-101.608 1.00 0.00 C ATOM 5344 P G B 250 71.188 5.032 -98.215 1.00 0.00 P ATOM 5345 O1P G B 250 72.147 5.159 -97.093 1.00 0.00 O ATOM 5346 O2P G B 250 69.838 4.538 -97.857 1.00 0.00 O ATOM 5347 O5* G B 250 71.120 6.553 -99.211 1.00 0.00 O ATOM 5348 C5* G B 250 71.731 7.756 -99.704 1.00 0.00 C ATOM 5349 C4* G B 250 70.727 8.774-100.478 1.00 0.00 C ATOM 5350 O4* G B 250 69.993 8.277-101.634 1.00 0.00 O ATOM 5351 C3* G B 250 69.718 9.679 -99.766 1.00 0.00 C ATOM 5352 O3* G B 250 70.289 10.628 -98.713 1.00 0.00 O ATOM 5353 C2* G B 250 68.969 10.303-100.940 1.00 0.00 C ATOM 5354 O2* G B 250 69.747 11.317-101.554 1.00 0.00 O ATOM 5355 C1* G B 250 68.905 9.138-101.921 1.00 0.00 C ATOM 5356 N9 G B 250 67.455 8.218-101.848 1.00 0.00 N ATOM 5357 C8 G B 250 67.203 7.036-101.178 1.00 0.00 C ATOM 5358 N7 G B 250 66.004 6.549-101.394 1.00 0.00 N ATOM 5359 C5 G B 250 65.423 7.470-102.265 1.00 0.00 C ATOM 5360 C6 G B 250 64.131 7.483-102.853 1.00 0.00 C ATOM 5361 O6 G B 250 63.217 6.669-102.721 1.00 0.00 O ATOM 5362 N1 G B 250 63.954 8.602-103.674 1.00 0.00 N ATOM 5363 C2 G B 250 64.901 9.586-103.899 1.00 0.00 C ATOM 5364 N2 G B 250 64.533 10.574-104.717 1.00 0.00 N ATOM 5365 N3 G B 250 66.109 9.575-103.348 1.00 0.00 N ATOM 5366 C4 G B 250 66.297 8.492-102.547 1.00 0.00 C ATOM 5367 P A B 251 69.431 10.589 -97.102 1.00 0.00 P ATOM 5368 O1P A B 251 70.247 11.240 -96.052 1.00 0.00 O ATOM 5369 O2P A B 251 68.907 9.247 -96.768 1.00 0.00 O ATOM 5370 O5* A B 251 68.134 11.696 -97.728 1.00 0.00 O ATOM 5371 C5* A B 251 67.264 12.720 -98.232 1.00 0.00 C ATOM 5372 C4* A B 251 65.740 12.220 -98.521 1.00 0.00 C ATOM 5373 O4* A B 251 65.582 11.104 -99.444 1.00 0.00 O ATOM 5374 C3* A B 251 64.744 11.910 -97.399 1.00 0.00 C ATOM 5375 O3* A B 251 64.339 13.069 -96.487 1.00 0.00 O ATOM 5376 C2* A B 251 63.585 11.284 -98.170 1.00 0.00 C ATOM 5377 O2* A B 251 62.827 12.278 -98.845 1.00 0.00 O ATOM 5378 C1* A B 251 64.322 10.487 -99.240 1.00 0.00 C ATOM 5379 N9 A B 251 64.581 8.868 -98.855 1.00 0.00 N ATOM 5380 C8 A B 251 65.735 8.273 -98.399 1.00 0.00 C ATOM 5381 N7 A B 251 65.671 6.977 -98.342 1.00 0.00 N ATOM 5382 C5 A B 251 64.390 6.685 -98.792 1.00 0.00 C ATOM 5383 C6 A B 251 63.699 5.475 -98.964 1.00 0.00 C ATOM 5384 N6 A B 251 64.233 4.274 -98.699 1.00 0.00 N ATOM 5385 N1 A B 251 62.436 5.544 -99.426 1.00 0.00 N ATOM 5386 C2 A B 251 61.911 6.737 -99.691 1.00 0.00 C ATOM 5387 N3 A B 251 62.454 7.928 -99.565 1.00 0.00 N ATOM 5388 C4 A B 251 63.717 7.834 -99.099 1.00 0.00 C ATOM 5389 P G B 252 64.490 12.650 -94.719 1.00 0.00 P ATOM 5390 O1P G B 252 64.575 13.854 -93.861 1.00 0.00 O ATOM 5391 O2P G B 252 65.542 11.628 -94.502 1.00 0.00 O ATOM 5392 O5* G B 252 63.046 11.977 -94.567 1.00 0.00 O ATOM 5393 C5* G B 252 61.876 12.773 -94.826 1.00 0.00 C ATOM 5394 C4* G B 252 60.632 11.911 -94.744 1.00 0.00 C ATOM 5395 O4* G B 252 60.638 10.967 -95.854 1.00 0.00 O ATOM 5396 C3* G B 252 60.518 11.022 -93.506 1.00 0.00 C ATOM 5397 O3* G B 252 59.979 11.714 -92.425 1.00 0.00 O ATOM 5398 C2* G B 252 59.608 9.901 -94.002 1.00 0.00 C ATOM 5399 O2* G B 252 58.259 10.336 -94.057 1.00 0.00 O ATOM 5400 C1* G B 252 60.078 9.733 -95.442 1.00 0.00 C ATOM 5401 N9 G B 252 61.113 8.676 -95.613 1.00 0.00 N ATOM 5402 C8 G B 252 62.466 8.810 -95.839 1.00 0.00 C ATOM 5403 N7 G B 252 63.105 7.669 -95.944 1.00 0.00 N ATOM 5404 C5 G B 252 62.106 6.713 -95.775 1.00 0.00 C ATOM 5405 C6 G B 252 62.186 5.297 -95.789 1.00 0.00 C ATOM 5406 O6 G B 252 63.171 4.582 -95.953 1.00 0.00 O ATOM 5407 N1 G B 252 60.929 4.712 -95.579 1.00 0.00 N ATOM 5408 C2 G B 252 59.751 5.405 -95.382 1.00 0.00 C ATOM 5409 N2 G B 252 58.655 4.663 -95.200 1.00 0.00 N ATOM 5410 N3 G B 252 59.676 6.735 -95.370 1.00 0.00 N ATOM 5411 C4 G B 252 60.887 7.317 -95.576 1.00 0.00 C ATOM 5412 P C B 253 60.493 11.343 -90.920 1.00 0.00 P ATOM 5413 O1P C B 253 60.098 12.406 -89.969 1.00 0.00 O ATOM 5414 O2P C B 253 61.936 11.013 -90.960 1.00 0.00 O ATOM 5415 O5* C B 253 59.642 10.017 -90.634 1.00 0.00 O ATOM 5416 C5* C B 253 58.205 10.094 -90.641 1.00 0.00 C ATOM 5417 C4* C B 253 57.610 8.710 -90.472 1.00 0.00 C ATOM 5418 O4* C B 253 57.905 7.923 -91.663 1.00 0.00 O ATOM 5419 C3* C B 253 58.182 7.874 -89.326 1.00 0.00 C ATOM 5420 O3* C B 253 57.563 8.173 -88.115 1.00 0.00 O ATOM 5421 C2* C B 253 57.900 6.448 -89.798 1.00 0.00 C ATOM 5422 O2* C B 253 56.532 6.125 -89.618 1.00 0.00 O ATOM 5423 C1* C B 253 58.132 6.571 -91.302 1.00 0.00 C ATOM 5424 N1 C B 253 59.513 6.206 -91.723 1.00 0.00 N ATOM 5425 C2 C B 253 59.855 4.856 -91.730 1.00 0.00 C ATOM 5426 O2 C B 253 59.004 4.024 -91.387 1.00 0.00 O ATOM 5427 N3 C B 253 61.108 4.504 -92.111 1.00 0.00 N ATOM 5428 C4 C B 253 61.999 5.434 -92.474 1.00 0.00 C ATOM 5429 N4 C B 253 63.211 5.038 -92.839 1.00 0.00 N ATOM 5430 C5 C B 253 61.668 6.828 -92.475 1.00 0.00 C ATOM 5431 C6 C B 253 60.409 7.159 -92.089 1.00 0.00 C ATOM 5432 P G B 254 58.531 8.523 -86.534 1.00 0.00 P ATOM 5433 O1P G B 254 57.764 9.555 -85.797 1.00 0.00 O ATOM 5434 O2P G B 254 59.943 8.853 -86.824 1.00 0.00 O ATOM 5435 O5* G B 254 58.654 6.934 -85.549 1.00 0.00 O ATOM 5436 C5* G B 254 59.657 6.309 -84.614 1.00 0.00 C ATOM 5437 C4* G B 254 60.499 5.159 -85.406 1.00 0.00 C ATOM 5438 O4* G B 254 60.393 5.392 -86.843 1.00 0.00 O ATOM 5439 C3* G B 254 61.701 4.220 -85.280 1.00 0.00 C ATOM 5440 O3* G B 254 63.036 4.065 -84.494 1.00 0.00 O ATOM 5441 C2* G B 254 61.570 3.352 -86.530 1.00 0.00 C ATOM 5442 O2* G B 254 60.545 2.386 -86.363 1.00 0.00 O ATOM 5443 C1* G B 254 61.063 4.365 -87.554 1.00 0.00 C ATOM 5444 N9 G B 254 62.277 5.077 -88.504 1.00 0.00 N ATOM 5445 C8 G B 254 63.264 4.470 -89.252 1.00 0.00 C ATOM 5446 N7 G B 254 63.953 5.302 -89.997 1.00 0.00 N ATOM 5447 C5 G B 254 63.387 6.545 -89.723 1.00 0.00 C ATOM 5448 C6 G B 254 63.713 7.833 -90.232 1.00 0.00 C ATOM 5449 O6 G B 254 64.584 8.135 -91.042 1.00 0.00 O ATOM 5450 N1 G B 254 62.886 8.819 -89.690 1.00 0.00 N ATOM 5451 C2 G B 254 61.875 8.600 -88.773 1.00 0.00 C ATOM 5452 N2 G B 254 61.198 9.680 -88.372 1.00 0.00 N ATOM 5453 N3 G B 254 61.567 7.392 -88.298 1.00 0.00 N ATOM 5454 C4 G B 254 62.364 6.420 -88.814 1.00 0.00 C ATOM 5455 P A B 255 64.675 4.544 -85.314 1.00 0.00 P ATOM 5456 O1P A B 255 65.339 5.209 -84.169 1.00 0.00 O ATOM 5457 O2P A B 255 64.462 5.386 -86.512 1.00 0.00 O ATOM 5458 O5* A B 255 66.014 3.201 -85.444 1.00 0.00 O ATOM 5459 C5* A B 255 67.434 2.968 -84.923 1.00 0.00 C ATOM 5460 C4* A B 255 68.588 4.210 -84.873 1.00 0.00 C ATOM 5461 O4* A B 255 67.914 5.325 -85.521 1.00 0.00 O ATOM 5462 C3* A B 255 69.213 4.837 -83.628 1.00 0.00 C ATOM 5463 O3* A B 255 70.316 4.203 -82.758 1.00 0.00 O ATOM 5464 C2* A B 255 69.618 6.220 -84.130 1.00 0.00 C ATOM 5465 O2* A B 255 70.787 6.143 -84.924 1.00 0.00 O ATOM 5466 C1* A B 255 68.464 6.551 -85.074 1.00 0.00 C ATOM 5467 N9 A B 255 67.205 7.483 -84.367 1.00 0.00 N ATOM 5468 C8 A B 255 66.634 8.647 -84.840 1.00 0.00 C ATOM 5469 N7 A B 255 65.571 9.011 -84.196 1.00 0.00 N ATOM 5470 C5 A B 255 65.413 8.026 -83.229 1.00 0.00 C ATOM 5471 C6 A B 255 64.458 7.837 -82.217 1.00 0.00 C ATOM 5472 N6 A B 255 63.428 8.670 -82.003 1.00 0.00 N ATOM 5473 N1 A B 255 64.603 6.758 -81.422 1.00 0.00 N ATOM 5474 C2 A B 255 65.625 5.935 -81.636 1.00 0.00 C ATOM 5475 N3 A B 255 66.571 6.009 -82.543 1.00 0.00 N ATOM 5476 C4 A B 255 66.403 7.097 -83.328 1.00 0.00 C ATOM 5477 P A B 256 72.097 4.024 -83.182 1.00 0.00 P ATOM 5478 O1P A B 256 72.836 5.291 -83.366 1.00 0.00 O ATOM 5479 O2P A B 256 72.273 3.012 -84.247 1.00 0.00 O ATOM 5480 O5* A B 256 72.393 3.327 -81.516 1.00 0.00 O ATOM 5481 C5* A B 256 71.631 2.771 -80.405 1.00 0.00 C ATOM 5482 C4* A B 256 70.363 1.864 -80.945 1.00 0.00 C ATOM 5483 O4* A B 256 70.266 2.032 -82.387 1.00 0.00 O ATOM 5484 C3* A B 256 70.303 0.347 -80.745 1.00 0.00 C ATOM 5485 O3* A B 256 69.998 -0.240 -79.254 1.00 0.00 O ATOM 5486 C2* A B 256 69.322 -0.077 -81.836 1.00 0.00 C ATOM 5487 O2* A B 256 67.989 0.224 -81.462 1.00 0.00 O ATOM 5488 C1* A B 256 69.694 0.873 -82.968 1.00 0.00 C ATOM 5489 N9 A B 256 70.811 0.231 -84.104 1.00 0.00 N ATOM 5490 C8 A B 256 72.049 0.725 -84.461 1.00 0.00 C ATOM 5491 N7 A B 256 72.733 -0.075 -85.223 1.00 0.00 N ATOM 5492 C5 A B 256 71.899 -1.175 -85.391 1.00 0.00 C ATOM 5493 C6 A B 256 72.048 -2.375 -86.100 1.00 0.00 C ATOM 5494 N6 A B 256 73.144 -2.681 -86.811 1.00 0.00 N ATOM 5495 N1 A B 256 71.030 -3.248 -86.058 1.00 0.00 N ATOM 5496 C2 A B 256 69.945 -2.939 -85.351 1.00 0.00 C ATOM 5497 N3 A B 256 69.692 -1.855 -84.650 1.00 0.00 N ATOM 5498 C4 A B 256 70.731 -0.994 -84.712 1.00 0.00 C ATOM 5499 P C B 257 70.922 -0.487 -77.592 1.00 0.00 P ATOM 5500 O1P C B 257 69.882 -0.305 -76.555 1.00 0.00 O ATOM 5501 O2P C B 257 72.112 0.375 -77.468 1.00 0.00 O ATOM 5502 O5* C B 257 71.470 -2.279 -77.494 1.00 0.00 O ATOM 5503 C5* C B 257 71.594 -3.565 -76.755 1.00 0.00 C ATOM 5504 C4* C B 257 73.018 -4.063 -76.061 1.00 0.00 C ATOM 5505 O4* C B 257 74.170 -4.097 -76.953 1.00 0.00 O ATOM 5506 C3* C B 257 73.556 -3.393 -74.795 1.00 0.00 C ATOM 5507 O3* C B 257 72.631 -3.198 -73.689 1.00 0.00 O ATOM 5508 C2* C B 257 74.983 -3.929 -74.725 1.00 0.00 C ATOM 5509 O2* C B 257 74.998 -5.271 -74.261 1.00 0.00 O ATOM 5510 C1* C B 257 75.366 -3.970 -76.202 1.00 0.00 C ATOM 5511 N1 C B 257 76.174 -2.641 -76.737 1.00 0.00 N ATOM 5512 C2 C B 257 77.485 -2.467 -76.311 1.00 0.00 C ATOM 5513 O2 C B 257 78.005 -3.344 -75.606 1.00 0.00 O ATOM 5514 N3 C B 257 78.149 -1.339 -76.684 1.00 0.00 N ATOM 5515 C4 C B 257 77.551 -0.418 -77.447 1.00 0.00 C ATOM 5516 N4 C B 257 78.244 0.659 -77.779 1.00 0.00 N ATOM 5517 C5 C B 257 76.201 -0.576 -77.898 1.00 0.00 C ATOM 5518 C6 C B 257 75.556 -1.711 -77.515 1.00 0.00 C ATOM 5519 P G B 258 73.605 -2.600 -72.280 1.00 0.00 P ATOM 5520 O1P G B 258 74.490 -3.614 -71.666 1.00 0.00 O ATOM 5521 O2P G B 258 72.594 -2.002 -71.382 1.00 0.00 O ATOM 5522 O5* G B 258 74.486 -1.443 -72.948 1.00 0.00 O ATOM 5523 C5* G B 258 75.680 -1.799 -73.667 1.00 0.00 C ATOM 5524 C4* G B 258 76.286 -0.575 -74.314 1.00 0.00 C ATOM 5525 O4* G B 258 75.393 -0.113 -75.372 1.00 0.00 O ATOM 5526 C3* G B 258 76.445 0.648 -73.409 1.00 0.00 C ATOM 5527 O3* G B 258 77.625 0.587 -72.673 1.00 0.00 O ATOM 5528 C2* G B 258 76.436 1.795 -74.417 1.00 0.00 C ATOM 5529 O2* G B 258 77.683 1.881 -75.090 1.00 0.00 O ATOM 5530 C1* G B 258 75.415 1.304 -75.439 1.00 0.00 C ATOM 5531 N9 G B 258 74.032 1.800 -75.186 1.00 0.00 N ATOM 5532 C8 G B 258 72.944 1.120 -74.690 1.00 0.00 C ATOM 5533 N7 G B 258 71.860 1.852 -74.590 1.00 0.00 N ATOM 5534 C5 G B 258 72.261 3.105 -75.053 1.00 0.00 C ATOM 5535 C6 G B 258 71.524 4.311 -75.183 1.00 0.00 C ATOM 5536 O6 G B 258 70.346 4.526 -74.912 1.00 0.00 O ATOM 5537 N1 G B 258 72.320 5.344 -75.698 1.00 0.00 N ATOM 5538 C2 G B 258 73.652 5.228 -76.040 1.00 0.00 C ATOM 5539 N2 G B 258 74.235 6.330 -76.515 1.00 0.00 N ATOM 5540 N3 G B 258 74.343 4.096 -75.917 1.00 0.00 N ATOM 5541 C4 G B 258 73.584 3.083 -75.420 1.00 0.00 C ATOM 5542 P G B 259 77.641 1.218 -71.167 1.00 0.00 P ATOM 5543 O1P G B 259 78.831 0.741 -70.424 1.00 0.00 O ATOM 5544 O2P G B 259 76.335 0.973 -70.514 1.00 0.00 O ATOM 5545 O5* G B 259 77.798 2.776 -71.494 1.00 0.00 O ATOM 5546 C5* G B 259 78.963 3.226 -72.213 1.00 0.00 C ATOM 5547 C4* G B 259 78.845 4.703 -72.523 1.00 0.00 C ATOM 5548 O4* G B 259 77.769 4.898 -73.485 1.00 0.00 O ATOM 5549 C3* G B 259 78.453 5.602 -71.346 1.00 0.00 C ATOM 5550 O3* G B 259 79.562 5.956 -70.580 1.00 0.00 O ATOM 5551 C2* G B 259 77.818 6.798 -72.053 1.00 0.00 C ATOM 5552 O2* G B 259 78.814 7.632 -72.620 1.00 0.00 O ATOM 5553 C1* G B 259 77.097 6.119 -73.213 1.00 0.00 C ATOM 5554 N9 G B 259 75.670 5.801 -72.926 1.00 0.00 N ATOM 5555 C8 G B 259 75.085 4.582 -72.660 1.00 0.00 C ATOM 5556 N7 G B 259 73.792 4.646 -72.449 1.00 0.00 N ATOM 5557 C5 G B 259 73.500 6.004 -72.582 1.00 0.00 C ATOM 5558 C6 G B 259 72.262 6.688 -72.463 1.00 0.00 C ATOM 5559 O6 G B 259 71.151 6.231 -72.213 1.00 0.00 O ATOM 5560 N1 G B 259 72.416 8.064 -72.678 1.00 0.00 N ATOM 5561 C2 G B 259 73.610 8.699 -72.967 1.00 0.00 C ATOM 5562 N2 G B 259 73.550 10.018 -73.135 1.00 0.00 N ATOM 5563 N3 G B 259 74.770 8.055 -73.077 1.00 0.00 N ATOM 5564 C4 G B 259 74.638 6.716 -72.873 1.00 0.00 C ATOM 5565 P G B 260 79.378 6.148 -68.969 1.00 0.00 P ATOM 5566 O1P G B 260 80.699 6.155 -68.302 1.00 0.00 O ATOM 5567 O2P G B 260 78.406 5.152 -68.465 1.00 0.00 O ATOM 5568 O5* G B 260 78.733 7.609 -68.914 1.00 0.00 O ATOM 5569 C5* G B 260 79.480 8.723 -69.441 1.00 0.00 C ATOM 5570 C4* G B 260 78.635 9.979 -69.399 1.00 0.00 C ATOM 5571 O4* G B 260 77.537 9.842 -70.345 1.00 0.00 O ATOM 5572 C3* G B 260 77.941 10.271 -68.068 1.00 0.00 C ATOM 5573 O3* G B 260 78.788 10.936 -67.183 1.00 0.00 O ATOM 5574 C2* G B 260 76.756 11.130 -68.506 1.00 0.00 C ATOM 5575 O2* G B 260 77.178 12.449 -68.805 1.00 0.00 O ATOM 5576 C1* G B 260 76.375 10.476 -69.829 1.00 0.00 C ATOM 5577 N9 G B 260 75.306 9.448 -69.703 1.00 0.00 N ATOM 5578 C8 G B 260 75.408 8.073 -69.762 1.00 0.00 C ATOM 5579 N7 G B 260 74.266 7.444 -69.613 1.00 0.00 N ATOM 5580 C5 G B 260 73.343 8.477 -69.437 1.00 0.00 C ATOM 5581 C6 G B 260 71.942 8.422 -69.226 1.00 0.00 C ATOM 5582 O6 G B 260 71.215 7.433 -69.148 1.00 0.00 O ATOM 5583 N1 G B 260 71.392 9.703 -69.099 1.00 0.00 N ATOM 5584 C2 G B 260 72.105 10.886 -69.168 1.00 0.00 C ATOM 5585 N2 G B 260 71.394 12.006 -69.023 1.00 0.00 N ATOM 5586 N3 G B 260 73.418 10.937 -69.363 1.00 0.00 N ATOM 5587 C4 G B 260 73.968 9.698 -69.492 1.00 0.00 C ATOM 5588 P G B 261 78.650 10.633 -65.585 1.00 0.00 P ATOM 5589 O1P G B 261 79.843 11.129 -64.863 1.00 0.00 O ATOM 5590 O2P G B 261 78.323 9.205 -65.382 1.00 0.00 O ATOM 5591 O5* G B 261 77.380 11.536 -65.218 1.00 0.00 O ATOM 5592 C5* G B 261 77.451 12.958 -65.429 1.00 0.00 C ATOM 5593 C4* G B 261 76.107 13.594 -65.135 1.00 0.00 C ATOM 5594 O4* G B 261 75.151 13.160 -66.145 1.00 0.00 O ATOM 5595 C3* G B 261 75.454 13.192 -63.814 1.00 0.00 C ATOM 5596 O3* G B 261 75.932 13.963 -62.753 1.00 0.00 O ATOM 5597 C2* G B 261 73.976 13.439 -64.099 1.00 0.00 C ATOM 5598 O2* G B 261 73.677 14.824 -64.054 1.00 0.00 O ATOM 5599 C1* G B 261 73.868 13.007 -65.559 1.00 0.00 C ATOM 5600 N9 G B 261 73.447 11.587 -65.734 1.00 0.00 N ATOM 5601 C8 G B 261 74.200 10.499 -66.111 1.00 0.00 C ATOM 5602 N7 G B 261 73.521 9.378 -66.173 1.00 0.00 N ATOM 5603 C5 G B 261 72.228 9.752 -65.808 1.00 0.00 C ATOM 5604 C6 G B 261 71.049 8.972 -65.691 1.00 0.00 C ATOM 5605 O6 G B 261 70.899 7.768 -65.889 1.00 0.00 O ATOM 5606 N1 G B 261 69.958 9.755 -65.294 1.00 0.00 N ATOM 5607 C2 G B 261 69.995 11.111 -65.045 1.00 0.00 C ATOM 5608 N2 G B 261 68.842 11.674 -64.678 1.00 0.00 N ATOM 5609 N3 G B 261 71.102 11.842 -65.154 1.00 0.00 N ATOM 5610 C4 G B 261 72.175 11.100 -65.539 1.00 0.00 C ATOM 5611 P A B 262 76.070 13.269 -61.281 1.00 0.00 P ATOM 5612 O1P A B 262 76.920 14.102 -60.400 1.00 0.00 O ATOM 5613 O2P A B 262 76.496 11.859 -61.436 1.00 0.00 O ATOM 5614 O5* A B 262 74.551 13.325 -60.780 1.00 0.00 O ATOM 5615 C5* A B 262 73.909 14.603 -60.644 1.00 0.00 C ATOM 5616 C4* A B 262 72.449 14.415 -60.281 1.00 0.00 C ATOM 5617 O4* A B 262 71.755 13.814 -61.414 1.00 0.00 O ATOM 5618 C3* A B 262 72.169 13.450 -59.127 1.00 0.00 C ATOM 5619 O3* A B 262 72.286 14.086 -57.892 1.00 0.00 O ATOM 5620 C2* A B 262 70.742 13.000 -59.425 1.00 0.00 C ATOM 5621 O2* A B 262 69.812 14.010 -59.072 1.00 0.00 O ATOM 5622 C1* A B 262 70.755 12.923 -60.947 1.00 0.00 C ATOM 5623 N9 A B 262 71.066 11.564 -61.475 1.00 0.00 N ATOM 5624 C8 A B 262 72.226 11.106 -62.058 1.00 0.00 C ATOM 5625 N7 A B 262 72.179 9.860 -62.415 1.00 0.00 N ATOM 5626 C5 A B 262 70.904 9.454 -62.048 1.00 0.00 C ATOM 5627 C6 A B 262 70.232 8.226 -62.157 1.00 0.00 C ATOM 5628 N6 A B 262 70.781 7.128 -62.699 1.00 0.00 N ATOM 5629 N1 A B 262 68.970 8.166 -61.692 1.00 0.00 N ATOM 5630 C2 A B 262 68.429 9.260 -61.155 1.00 0.00 C ATOM 5631 N3 A B 262 68.958 10.453 -61.000 1.00 0.00 N ATOM 5632 C4 A B 262 70.221 10.487 -61.473 1.00 0.00 C ATOM 5633 P G B 263 72.748 15.935 -57.672 1.00 0.00 P ATOM 5634 O1P G B 263 72.819 16.610 -58.984 1.00 0.00 O ATOM 5635 O2P G B 263 73.993 15.953 -56.868 1.00 0.00 O ATOM 5636 O5* G B 263 71.492 16.907 -56.670 1.00 0.00 O ATOM 5637 C5* G B 263 71.600 18.382 -56.349 1.00 0.00 C ATOM 5638 C4* G B 263 70.872 19.375 -57.450 1.00 0.00 C ATOM 5639 O4* G B 263 70.038 18.440 -58.193 1.00 0.00 O ATOM 5640 C3* G B 263 70.007 20.633 -57.336 1.00 0.00 C ATOM 5641 O3* G B 263 70.719 22.079 -57.192 1.00 0.00 O ATOM 5642 C2* G B 263 69.273 20.638 -58.674 1.00 0.00 C ATOM 5643 O2* G B 263 70.131 21.084 -59.712 1.00 0.00 O ATOM 5644 C1* G B 263 69.035 19.151 -58.903 1.00 0.00 C ATOM 5645 N9 G B 263 67.495 18.581 -58.381 1.00 0.00 N ATOM 5646 C8 G B 263 66.313 19.276 -58.243 1.00 0.00 C ATOM 5647 N7 G B 263 65.273 18.523 -57.977 1.00 0.00 N ATOM 5648 C5 G B 263 65.805 17.236 -57.943 1.00 0.00 C ATOM 5649 C6 G B 263 65.169 15.991 -57.699 1.00 0.00 C ATOM 5650 O6 G B 263 63.983 15.764 -57.464 1.00 0.00 O ATOM 5651 N1 G B 263 66.079 14.928 -57.756 1.00 0.00 N ATOM 5652 C2 G B 263 67.431 15.053 -58.010 1.00 0.00 C ATOM 5653 N2 G B 263 68.129 13.916 -58.021 1.00 0.00 N ATOM 5654 N3 G B 263 68.028 16.215 -58.238 1.00 0.00 N ATOM 5655 C4 G B 263 67.157 17.259 -58.187 1.00 0.00 C ATOM 5656 P C B 264 70.471 23.445 -55.917 1.00 0.00 P ATOM 5657 O1P C B 264 71.127 23.068 -54.645 1.00 0.00 O ATOM 5658 O2P C B 264 69.021 23.754 -55.830 1.00 0.00 O ATOM 5659 O5* C B 264 71.413 24.947 -56.603 1.00 0.00 O ATOM 5660 C5* C B 264 71.780 26.396 -57.035 1.00 0.00 C ATOM 5661 C4* C B 264 73.139 27.249 -56.533 1.00 0.00 C ATOM 5662 O4* C B 264 74.176 26.324 -56.086 1.00 0.00 O ATOM 5663 C3* C B 264 73.891 28.557 -56.774 1.00 0.00 C ATOM 5664 O3* C B 264 73.422 30.102 -56.846 1.00 0.00 O ATOM 5665 C2* C B 264 74.933 28.538 -55.660 1.00 0.00 C ATOM 5666 O2* C B 264 74.344 28.869 -54.413 1.00 0.00 O ATOM 5667 C1* C B 264 75.289 27.054 -55.598 1.00 0.00 C ATOM 5668 N1 C B 264 76.654 26.615 -56.505 1.00 0.00 N ATOM 5669 C2 C B 264 77.878 27.188 -56.160 1.00 0.00 C ATOM 5670 O2 C B 264 77.914 27.994 -55.223 1.00 0.00 O ATOM 5671 N3 C B 264 78.986 26.841 -56.867 1.00 0.00 N ATOM 5672 C4 C B 264 78.902 25.962 -57.875 1.00 0.00 C ATOM 5673 N4 C B 264 80.008 25.657 -58.534 1.00 0.00 N ATOM 5674 C5 C B 264 77.655 25.361 -58.247 1.00 0.00 C ATOM 5675 C6 C B 264 76.564 25.722 -57.530 1.00 0.00 C ATOM 5676 P A B 265 73.759 31.595 -57.965 1.00 0.00 P ATOM 5677 O1P A B 265 74.985 32.392 -58.192 1.00 0.00 O ATOM 5678 O2P A B 265 72.555 32.367 -57.578 1.00 0.00 O ATOM 5679 O5* A B 265 73.441 30.710 -59.258 1.00 0.00 O ATOM 5680 C5* A B 265 74.510 29.971 -59.878 1.00 0.00 C ATOM 5681 C4* A B 265 73.963 29.110 -60.999 1.00 0.00 C ATOM 5682 O4* A B 265 73.130 28.061 -60.423 1.00 0.00 O ATOM 5683 C3* A B 265 73.036 29.813 -61.990 1.00 0.00 C ATOM 5684 O3* A B 265 73.754 30.469 -62.985 1.00 0.00 O ATOM 5685 C2* A B 265 72.205 28.654 -62.530 1.00 0.00 C ATOM 5686 O2* A B 265 72.953 27.893 -63.464 1.00 0.00 O ATOM 5687 C1* A B 265 72.039 27.787 -61.284 1.00 0.00 C ATOM 5688 N9 A B 265 70.782 28.058 -60.533 1.00 0.00 N ATOM 5689 C8 A B 265 70.611 28.725 -59.339 1.00 0.00 C ATOM 5690 N7 A B 265 69.375 28.790 -58.946 1.00 0.00 N ATOM 5691 C5 A B 265 68.669 28.126 -59.939 1.00 0.00 C ATOM 5692 C6 A B 265 67.302 27.852 -60.108 1.00 0.00 C ATOM 5693 N6 A B 265 66.359 28.233 -59.235 1.00 0.00 N ATOM 5694 N1 A B 265 66.939 27.170 -61.209 1.00 0.00 N ATOM 5695 C2 A B 265 67.883 26.795 -62.074 1.00 0.00 C ATOM 5696 N3 A B 265 69.182 26.995 -62.023 1.00 0.00 N ATOM 5697 C4 A B 265 69.519 27.680 -60.910 1.00 0.00 C ATOM 5698 P G B 266 73.161 31.865 -63.593 1.00 0.00 P ATOM 5699 O1P G B 266 74.210 32.584 -64.347 1.00 0.00 O ATOM 5700 O2P G B 266 72.502 32.633 -62.513 1.00 0.00 O ATOM 5701 O5* G B 266 72.056 31.303 -64.610 1.00 0.00 O ATOM 5702 C5* G B 266 72.472 30.450 -65.692 1.00 0.00 C ATOM 5703 C4* G B 266 71.263 29.938 -66.443 1.00 0.00 C ATOM 5704 O4* G B 266 70.518 29.029 -65.579 1.00 0.00 O ATOM 5705 C3* G B 266 70.232 30.994 -66.843 1.00 0.00 C ATOM 5706 O3* G B 266 70.579 31.621 -68.039 1.00 0.00 O ATOM 5707 C2* G B 266 68.955 30.164 -66.962 1.00 0.00 C ATOM 5708 O2* G B 266 68.951 29.414 -68.166 1.00 0.00 O ATOM 5709 C1* G B 266 69.126 29.167 -65.820 1.00 0.00 C ATOM 5710 N9 G B 266 68.480 29.595 -64.551 1.00 0.00 N ATOM 5711 C8 G B 266 69.057 30.075 -63.394 1.00 0.00 C ATOM 5712 N7 G B 266 68.195 30.362 -62.447 1.00 0.00 N ATOM 5713 C5 G B 266 66.961 30.052 -63.017 1.00 0.00 C ATOM 5714 C6 G B 266 65.653 30.154 -62.474 1.00 0.00 C ATOM 5715 O6 G B 266 65.309 30.545 -61.362 1.00 0.00 O ATOM 5716 N1 G B 266 64.683 29.733 -63.395 1.00 0.00 N ATOM 5717 C2 G B 266 64.943 29.274 -64.672 1.00 0.00 C ATOM 5718 N2 G B 266 63.879 28.921 -65.395 1.00 0.00 N ATOM 5719 N3 G B 266 66.169 29.181 -65.180 1.00 0.00 N ATOM 5720 C4 G B 266 67.124 29.583 -64.300 1.00 0.00 C ATOM 5721 P C B 267 70.199 33.195 -68.237 1.00 0.00 P ATOM 5722 O1P C B 267 70.953 33.764 -69.378 1.00 0.00 O ATOM 5723 O2P C B 267 70.346 33.904 -66.949 1.00 0.00 O ATOM 5724 O5* C B 267 68.650 33.083 -68.622 1.00 0.00 O ATOM 5725 C5* C B 267 68.273 32.348 -69.799 1.00 0.00 C ATOM 5726 C4* C B 267 66.763 32.266 -69.901 1.00 0.00 C ATOM 5727 O4* C B 267 66.267 31.427 -68.818 1.00 0.00 O ATOM 5728 C3* C B 267 66.010 33.584 -69.724 1.00 0.00 C ATOM 5729 O3* C B 267 65.944 34.301 -70.916 1.00 0.00 O ATOM 5730 C2* C B 267 64.640 33.106 -69.246 1.00 0.00 C ATOM 5731 O2* C B 267 63.883 32.590 -70.326 1.00 0.00 O ATOM 5732 C1* C B 267 65.016 31.922 -68.363 1.00 0.00 C ATOM 5733 N1 C B 267 65.158 32.271 -66.920 1.00 0.00 N ATOM 5734 C2 C B 267 63.995 32.506 -66.192 1.00 0.00 C ATOM 5735 O2 C B 267 62.905 32.414 -66.764 1.00 0.00 O ATOM 5736 N3 C B 267 64.104 32.827 -64.877 1.00 0.00 N ATOM 5737 C4 C B 267 65.305 32.913 -64.292 1.00 0.00 C ATOM 5738 N4 C B 267 65.358 33.227 -63.006 1.00 0.00 N ATOM 5739 C5 C B 267 66.513 32.674 -65.025 1.00 0.00 C ATOM 5740 C6 C B 267 66.383 32.356 -66.339 1.00 0.00 C ATOM 5741 P C B 268 65.978 35.934 -70.851 1.00 0.00 P ATOM 5742 O1P C B 268 66.270 36.492 -72.189 1.00 0.00 O ATOM 5743 O2P C B 268 66.884 36.364 -69.764 1.00 0.00 O ATOM 5744 O5* C B 268 64.462 36.250 -70.451 1.00 0.00 O ATOM 5745 C5* C B 268 63.404 35.831 -71.333 1.00 0.00 C ATOM 5746 C4* C B 268 62.057 36.117 -70.700 1.00 0.00 C ATOM 5747 O4* C B 268 61.884 35.251 -69.540 1.00 0.00 O ATOM 5748 C3* C B 268 61.874 37.528 -70.136 1.00 0.00 C ATOM 5749 O3* C B 268 61.488 38.428 -71.125 1.00 0.00 O ATOM 5750 C2* C B 268 60.794 37.311 -69.080 1.00 0.00 C ATOM 5751 O2* C B 268 59.519 37.173 -69.686 1.00 0.00 O ATOM 5752 C1* C B 268 61.173 35.940 -68.527 1.00 0.00 C ATOM 5753 N1 C B 268 62.041 36.003 -67.317 1.00 0.00 N ATOM 5754 C2 C B 268 61.453 36.378 -66.113 1.00 0.00 C ATOM 5755 O2 C B 268 60.244 36.642 -66.097 1.00 0.00 O ATOM 5756 N3 C B 268 62.225 36.442 -65.002 1.00 0.00 N ATOM 5757 C4 C B 268 63.531 36.148 -65.059 1.00 0.00 C ATOM 5758 N4 C B 268 64.242 36.225 -63.945 1.00 0.00 N ATOM 5759 C5 C B 268 64.157 35.760 -66.288 1.00 0.00 C ATOM 5760 C6 C B 268 63.365 35.703 -67.389 1.00 0.00 C ATOM 5761 P C B 269 60.192 37.755 -72.347 1.00 0.00 P ATOM 5762 O1P C B 269 60.812 37.634 -73.680 1.00 0.00 O ATOM 5763 O2P C B 269 59.002 38.632 -72.257 1.00 0.00 O ATOM 5764 O5* C B 269 59.681 36.037 -71.749 1.00 0.00 O ATOM 5765 C5* C B 269 58.727 35.048 -71.118 1.00 0.00 C ATOM 5766 C4* C B 269 59.143 33.538 -70.453 1.00 0.00 C ATOM 5767 O4* C B 269 60.442 33.343 -69.824 1.00 0.00 O ATOM 5768 C3* C B 269 58.808 32.166 -71.039 1.00 0.00 C ATOM 5769 O3* C B 269 57.806 31.034 -70.486 1.00 0.00 O ATOM 5770 C2* C B 269 60.177 31.668 -71.492 1.00 0.00 C ATOM 5771 O2* C B 269 60.579 32.308 -72.692 1.00 0.00 O ATOM 5772 C1* C B 269 61.081 32.207 -70.384 1.00 0.00 C ATOM 5773 N1 C B 269 61.414 31.065 -69.089 1.00 0.00 N ATOM 5774 C2 C B 269 60.332 30.560 -68.379 1.00 0.00 C ATOM 5775 O2 C B 269 59.199 30.988 -68.636 1.00 0.00 O ATOM 5776 N3 C B 269 60.558 29.615 -67.430 1.00 0.00 N ATOM 5777 C4 C B 269 61.798 29.181 -67.181 1.00 0.00 C ATOM 5778 N4 C B 269 61.965 28.256 -66.249 1.00 0.00 N ATOM 5779 C5 C B 269 62.928 29.693 -67.897 1.00 0.00 C ATOM 5780 C6 C B 269 62.682 30.633 -68.845 1.00 0.00 C ATOM 5781 P A B 270 56.582 31.189 -69.091 1.00 0.00 P ATOM 5782 O1P A B 270 55.360 30.399 -69.361 1.00 0.00 O ATOM 5783 O2P A B 270 56.366 32.631 -68.819 1.00 0.00 O ATOM 5784 O5* A B 270 57.390 30.235 -67.719 1.00 0.00 O ATOM 5785 C5* A B 270 57.816 29.219 -66.750 1.00 0.00 C ATOM 5786 C4* A B 270 56.696 28.079 -66.332 1.00 0.00 C ATOM 5787 O4* A B 270 55.400 28.350 -66.932 1.00 0.00 O ATOM 5788 C3* A B 270 56.876 26.569 -66.506 1.00 0.00 C ATOM 5789 O3* A B 270 57.854 25.204 -66.054 1.00 0.00 O ATOM 5790 C2* A B 270 55.453 26.050 -66.319 1.00 0.00 C ATOM 5791 O2* A B 270 55.095 26.052 -64.950 1.00 0.00 O ATOM 5792 C1* A B 270 54.631 27.156 -66.991 1.00 0.00 C ATOM 5793 N9 A B 270 53.130 27.452 -66.276 1.00 0.00 N ATOM 5794 C8 A B 270 52.085 28.204 -66.767 1.00 0.00 C ATOM 5795 N7 A B 270 50.986 28.082 -66.087 1.00 0.00 N ATOM 5796 C5 A B 270 51.313 27.189 -65.075 1.00 0.00 C ATOM 5797 C6 A B 270 50.568 26.644 -64.017 1.00 0.00 C ATOM 5798 N6 A B 270 49.281 26.939 -63.792 1.00 0.00 N ATOM 5799 N1 A B 270 51.196 25.786 -63.195 1.00 0.00 N ATOM 5800 C2 A B 270 52.477 25.499 -63.423 1.00 0.00 C ATOM 5801 N3 A B 270 53.269 25.942 -64.377 1.00 0.00 N ATOM 5802 C4 A B 270 52.615 26.798 -65.188 1.00 0.00 C ATOM 5803 P G B 271 56.911 23.539 -66.096 1.00 0.00 P ATOM 5804 O1P G B 271 55.852 24.239 -65.333 1.00 0.00 O ATOM 5805 O2P G B 271 56.765 22.072 -66.203 1.00 0.00 O ATOM 5806 O5* G B 271 57.038 24.182 -67.557 1.00 0.00 O ATOM 5807 C5* G B 271 55.868 24.746 -68.175 1.00 0.00 C ATOM 5808 C4* G B 271 56.242 25.406 -69.489 1.00 0.00 C ATOM 5809 O4* G B 271 57.065 26.575 -69.212 1.00 0.00 O ATOM 5810 C3* G B 271 57.101 24.565 -70.433 1.00 0.00 C ATOM 5811 O3* G B 271 56.323 23.706 -71.205 1.00 0.00 O ATOM 5812 C2* G B 271 57.802 25.636 -71.268 1.00 0.00 C ATOM 5813 O2* G B 271 56.915 26.178 -72.233 1.00 0.00 O ATOM 5814 C1* G B 271 58.046 26.723 -70.226 1.00 0.00 C ATOM 5815 N9 G B 271 59.388 26.651 -69.587 1.00 0.00 N ATOM 5816 C8 G B 271 59.724 26.229 -68.319 1.00 0.00 C ATOM 5817 N7 G B 271 61.010 26.285 -68.061 1.00 0.00 N ATOM 5818 C5 G B 271 61.563 26.778 -69.243 1.00 0.00 C ATOM 5819 C6 G B 271 62.914 27.058 -69.572 1.00 0.00 C ATOM 5820 O6 G B 271 63.919 26.928 -68.878 1.00 0.00 O ATOM 5821 N1 G B 271 63.030 27.550 -70.879 1.00 0.00 N ATOM 5822 C2 G B 271 61.980 27.745 -71.755 1.00 0.00 C ATOM 5823 N2 G B 271 62.300 28.221 -72.959 1.00 0.00 N ATOM 5824 N3 G B 271 60.712 27.481 -71.445 1.00 0.00 N ATOM 5825 C4 G B 271 60.581 27.006 -70.177 1.00 0.00 C ATOM 5826 P A B 272 56.933 22.246 -71.614 1.00 0.00 P ATOM 5827 O1P A B 272 55.854 21.360 -72.099 1.00 0.00 O ATOM 5828 O2P A B 272 57.744 21.722 -70.493 1.00 0.00 O ATOM 5829 O5* A B 272 57.889 22.654 -72.833 1.00 0.00 O ATOM 5830 C5* A B 272 57.311 23.271 -73.997 1.00 0.00 C ATOM 5831 C4* A B 272 58.403 23.681 -74.963 1.00 0.00 C ATOM 5832 O4* A B 272 59.179 24.761 -74.368 1.00 0.00 O ATOM 5833 C3* A B 272 59.449 22.609 -75.280 1.00 0.00 C ATOM 5834 O3* A B 272 59.017 21.756 -76.294 1.00 0.00 O ATOM 5835 C2* A B 272 60.654 23.451 -75.691 1.00 0.00 C ATOM 5836 O2* A B 272 60.487 23.959 -77.003 1.00 0.00 O ATOM 5837 C1* A B 272 60.541 24.637 -74.738 1.00 0.00 C ATOM 5838 N9 A B 272 61.346 24.481 -73.492 1.00 0.00 N ATOM 5839 C8 A B 272 60.917 24.203 -72.214 1.00 0.00 C ATOM 5840 N7 A B 272 61.875 24.130 -71.342 1.00 0.00 N ATOM 5841 C5 A B 272 63.023 24.373 -72.083 1.00 0.00 C ATOM 5842 C6 A B 272 64.381 24.437 -71.735 1.00 0.00 C ATOM 5843 N6 A B 272 64.832 24.247 -70.485 1.00 0.00 N ATOM 5844 N1 A B 272 65.262 24.701 -72.717 1.00 0.00 N ATOM 5845 C2 A B 272 64.808 24.885 -73.954 1.00 0.00 C ATOM 5846 N3 A B 272 63.570 24.854 -74.399 1.00 0.00 N ATOM 5847 C4 A B 272 62.707 24.586 -73.395 1.00 0.00 C ATOM 5848 P G B 273 59.467 20.187 -76.245 1.00 0.00 P ATOM 5849 O1P G B 273 58.634 19.386 -77.168 1.00 0.00 O ATOM 5850 O2P G B 273 59.498 19.730 -74.840 1.00 0.00 O ATOM 5851 O5* G B 273 60.958 20.286 -76.818 1.00 0.00 O ATOM 5852 C5* G B 273 61.167 20.801 -78.144 1.00 0.00 C ATOM 5853 C4* G B 273 62.648 20.925 -78.429 1.00 0.00 C ATOM 5854 O4* G B 273 63.206 21.970 -77.580 1.00 0.00 O ATOM 5855 C3* G B 273 63.495 19.694 -78.100 1.00 0.00 C ATOM 5856 O3* G B 273 63.477 18.768 -79.142 1.00 0.00 O ATOM 5857 C2* G B 273 64.877 20.305 -77.877 1.00 0.00 C ATOM 5858 O2* G B 273 65.484 20.636 -79.114 1.00 0.00 O ATOM 5859 C1* G B 273 64.523 21.617 -77.186 1.00 0.00 C ATOM 5860 N9 G B 273 64.555 21.539 -75.699 1.00 0.00 N ATOM 5861 C8 G B 273 63.504 21.503 -74.807 1.00 0.00 C ATOM 5862 N7 G B 273 63.872 21.433 -73.550 1.00 0.00 N ATOM 5863 C5 G B 273 65.265 21.418 -73.615 1.00 0.00 C ATOM 5864 C6 G B 273 66.226 21.352 -72.574 1.00 0.00 C ATOM 5865 O6 G B 273 66.044 21.291 -71.362 1.00 0.00 O ATOM 5866 N1 G B 273 67.531 21.362 -73.082 1.00 0.00 N ATOM 5867 C2 G B 273 67.865 21.430 -74.422 1.00 0.00 C ATOM 5868 N2 G B 273 69.170 21.427 -74.702 1.00 0.00 N ATOM 5869 N3 G B 273 66.964 21.491 -75.398 1.00 0.00 N ATOM 5870 C4 G B 273 65.690 21.483 -74.921 1.00 0.00 C ATOM 5871 P C B 274 63.546 17.178 -78.779 1.00 0.00 P ATOM 5872 O1P C B 274 63.151 16.369 -79.952 1.00 0.00 O ATOM 5873 O2P C B 274 62.783 16.922 -77.535 1.00 0.00 O ATOM 5874 O5* C B 274 65.112 17.000 -78.503 1.00 0.00 O ATOM 5875 C5* C B 274 66.046 17.287 -79.561 1.00 0.00 C ATOM 5876 C4* C B 274 67.465 17.177 -79.044 1.00 0.00 C ATOM 5877 O4* C B 274 67.708 18.250 -78.090 1.00 0.00 O ATOM 5878 C3* C B 274 67.789 15.904 -78.257 1.00 0.00 C ATOM 5879 O3* C B 274 68.124 14.852 -79.105 1.00 0.00 O ATOM 5880 C2* C B 274 68.960 16.358 -77.387 1.00 0.00 C ATOM 5881 O2* C B 274 70.155 16.430 -78.148 1.00 0.00 O ATOM 5882 C1* C B 274 68.560 17.790 -77.053 1.00 0.00 C ATOM 5883 N1 C B 274 67.827 17.922 -75.763 1.00 0.00 N ATOM 5884 C2 C B 274 68.559 17.803 -74.585 1.00 0.00 C ATOM 5885 O2 C B 274 69.779 17.594 -74.660 1.00 0.00 O ATOM 5886 N3 C B 274 67.913 17.918 -73.399 1.00 0.00 N ATOM 5887 C4 C B 274 66.592 18.145 -73.362 1.00 0.00 C ATOM 5888 N4 C B 274 66.009 18.252 -72.179 1.00 0.00 N ATOM 5889 C5 C B 274 65.821 18.272 -74.561 1.00 0.00 C ATOM 5890 C6 C B 274 66.487 18.152 -75.737 1.00 0.00 C ATOM 5891 P C B 275 68.024 15.075 -81.005 1.00 0.00 P ATOM 5892 O1P C B 275 69.416 14.662 -81.314 1.00 0.00 O ATOM 5893 O2P C B 275 67.659 16.452 -81.412 1.00 0.00 O ATOM 5894 O5* C B 275 66.815 13.987 -81.977 1.00 0.00 O ATOM 5895 C5* C B 275 66.011 13.326 -83.112 1.00 0.00 C ATOM 5896 C4* C B 275 66.560 11.828 -83.846 1.00 0.00 C ATOM 5897 O4* C B 275 67.611 12.467 -84.628 1.00 0.00 O ATOM 5898 C3* C B 275 67.324 11.045 -82.776 1.00 0.00 C ATOM 5899 O3* C B 275 66.503 9.920 -81.739 1.00 0.00 O ATOM 5900 C2* C B 275 68.562 10.579 -83.544 1.00 0.00 C ATOM 5901 O2* C B 275 68.244 9.494 -84.399 1.00 0.00 O ATOM 5902 C1* C B 275 68.837 11.782 -84.441 1.00 0.00 C ATOM 5903 N1 C B 275 69.957 12.864 -83.832 1.00 0.00 N ATOM 5904 C2 C B 275 71.082 12.350 -83.197 1.00 0.00 C ATOM 5905 O2 C B 275 71.179 11.120 -83.073 1.00 0.00 O ATOM 5906 N3 C B 275 72.031 13.202 -82.740 1.00 0.00 N ATOM 5907 C4 C B 275 71.890 14.527 -82.900 1.00 0.00 C ATOM 5908 N4 C B 275 72.844 15.317 -82.434 1.00 0.00 N ATOM 5909 C5 C B 275 70.741 15.084 -83.543 1.00 0.00 C ATOM 5910 C6 C B 275 69.803 14.210 -83.993 1.00 0.00 C ATOM 5911 P U B 276 65.826 9.602 -79.884 1.00 0.00 P ATOM 5912 O1P U B 276 65.216 8.254 -79.926 1.00 0.00 O ATOM 5913 O2P U B 276 64.910 10.715 -79.560 1.00 0.00 O ATOM 5914 O5* U B 276 66.925 9.152 -78.339 1.00 0.00 O ATOM 5915 C5* U B 276 67.266 8.442 -76.986 1.00 0.00 C ATOM 5916 C4* U B 276 66.272 7.658 -75.800 1.00 0.00 C ATOM 5917 O4* U B 276 65.145 7.273 -76.636 1.00 0.00 O ATOM 5918 C3* U B 276 66.549 6.412 -74.952 1.00 0.00 C ATOM 5919 O3* U B 276 67.002 6.442 -73.378 1.00 0.00 O ATOM 5920 C2* U B 276 65.141 5.871 -74.711 1.00 0.00 C ATOM 5921 O2* U B 276 64.465 6.641 -73.727 1.00 0.00 O ATOM 5922 C1* U B 276 64.464 6.175 -76.049 1.00 0.00 C ATOM 5923 N1 U B 276 64.475 4.895 -77.150 1.00 0.00 N ATOM 5924 C2 U B 276 64.189 3.646 -76.656 1.00 0.00 C ATOM 5925 O2 U B 276 63.981 3.432 -75.474 1.00 0.00 O ATOM 5926 N3 U B 276 64.156 2.633 -77.595 1.00 0.00 N ATOM 5927 C4 U B 276 64.378 2.764 -78.948 1.00 0.00 C ATOM 5928 O4 U B 276 64.319 1.782 -79.690 1.00 0.00 O ATOM 5929 C5 U B 276 64.668 4.113 -79.373 1.00 0.00 C ATOM 5930 C6 U B 276 64.711 5.117 -78.482 1.00 0.00 C ATOM 5931 P G B 277 68.030 5.202 -72.357 1.00 0.00 P ATOM 5932 O1P G B 277 68.497 5.806 -71.087 1.00 0.00 O ATOM 5933 O2P G B 277 69.096 4.794 -73.306 1.00 0.00 O ATOM 5934 O5* G B 277 67.227 3.666 -71.610 1.00 0.00 O ATOM 5935 C5* G B 277 68.301 2.696 -71.142 1.00 0.00 C ATOM 5936 C4* G B 277 69.285 3.043 -69.817 1.00 0.00 C ATOM 5937 O4* G B 277 68.455 3.829 -68.916 1.00 0.00 O ATOM 5938 C3* G B 277 69.732 1.852 -68.965 1.00 0.00 C ATOM 5939 O3* G B 277 70.912 1.111 -69.788 1.00 0.00 O ATOM 5940 C2* G B 277 69.912 2.496 -67.591 1.00 0.00 C ATOM 5941 O2* G B 277 71.113 3.247 -67.538 1.00 0.00 O ATOM 5942 C1* G B 277 68.759 3.499 -67.569 1.00 0.00 C ATOM 5943 N9 G B 277 67.298 2.917 -66.801 1.00 0.00 N ATOM 5944 C8 G B 277 66.738 3.300 -65.603 1.00 0.00 C ATOM 5945 N7 G B 277 65.549 2.790 -65.380 1.00 0.00 N ATOM 5946 C5 G B 277 65.305 2.013 -66.515 1.00 0.00 C ATOM 5947 C6 G B 277 64.183 1.220 -66.850 1.00 0.00 C ATOM 5948 O6 G B 277 63.151 1.032 -66.208 1.00 0.00 O ATOM 5949 N1 G B 277 64.349 0.599 -68.099 1.00 0.00 N ATOM 5950 C2 G B 277 65.460 0.734 -68.914 1.00 0.00 C ATOM 5951 N2 G B 277 65.423 0.061 -70.065 1.00 0.00 N ATOM 5952 N3 G B 277 66.513 1.478 -68.593 1.00 0.00 N ATOM 5953 C4 G B 277 66.370 2.085 -67.384 1.00 0.00 C ATOM 5954 P A B 278 72.676 0.486 -69.763 1.00 0.00 P ATOM 5955 O1P A B 278 73.593 0.612 -68.608 1.00 0.00 O ATOM 5956 O2P A B 278 73.215 0.933 -71.068 1.00 0.00 O ATOM 5957 O5* A B 278 72.260 -1.292 -69.421 1.00 0.00 O ATOM 5958 C5* A B 278 72.710 -2.446 -68.633 1.00 0.00 C ATOM 5959 C4* A B 278 74.316 -2.801 -68.245 1.00 0.00 C ATOM 5960 O4* A B 278 74.515 -4.059 -67.538 1.00 0.00 O ATOM 5961 C3* A B 278 75.440 -1.906 -67.730 1.00 0.00 C ATOM 5962 O3* A B 278 76.659 -1.161 -68.414 1.00 0.00 O ATOM 5963 C2* A B 278 75.550 -2.336 -66.270 1.00 0.00 C ATOM 5964 O2* A B 278 74.496 -1.788 -65.507 1.00 0.00 O ATOM 5965 C1* A B 278 75.291 -3.838 -66.373 1.00 0.00 C ATOM 5966 N9 A B 278 76.677 -4.782 -66.474 1.00 0.00 N ATOM 5967 C8 A B 278 76.821 -6.033 -67.031 1.00 0.00 C ATOM 5968 N7 A B 278 77.965 -6.594 -66.785 1.00 0.00 N ATOM 5969 C5 A B 278 78.634 -5.658 -66.012 1.00 0.00 C ATOM 5970 C6 A B 278 79.908 -5.654 -65.423 1.00 0.00 C ATOM 5971 N6 A B 278 80.775 -6.669 -65.532 1.00 0.00 N ATOM 5972 N1 A B 278 80.267 -4.562 -64.721 1.00 0.00 N ATOM 5973 C2 A B 278 79.401 -3.557 -64.616 1.00 0.00 C ATOM 5974 N3 A B 278 78.190 -3.447 -65.119 1.00 0.00 N ATOM 5975 C4 A B 278 77.859 -4.552 -65.820 1.00 0.00 C ATOM 5976 P A B 279 77.097 0.396 -67.451 1.00 0.00 P ATOM 5977 O1P A B 279 76.259 0.172 -66.251 1.00 0.00 O ATOM 5978 O2P A B 279 76.869 1.666 -68.176 1.00 0.00 O ATOM 5979 O5* A B 279 78.889 0.350 -66.908 1.00 0.00 O ATOM 5980 C5* A B 279 79.504 1.237 -65.857 1.00 0.00 C ATOM 5981 C4* A B 279 81.136 1.340 -65.699 1.00 0.00 C ATOM 5982 O4* A B 279 81.776 1.148 -66.993 1.00 0.00 O ATOM 5983 C3* A B 279 82.096 2.249 -64.935 1.00 0.00 C ATOM 5984 O3* A B 279 82.060 3.463 -63.949 1.00 0.00 O ATOM 5985 C2* A B 279 83.455 1.747 -65.417 1.00 0.00 C ATOM 5986 O2* A B 279 83.794 0.526 -64.790 1.00 0.00 O ATOM 5987 C1* A B 279 83.165 1.430 -66.880 1.00 0.00 C ATOM 5988 N9 A B 279 83.540 2.662 -67.947 1.00 0.00 N ATOM 5989 C8 A B 279 84.547 3.604 -67.851 1.00 0.00 C ATOM 5990 N7 A B 279 84.684 4.332 -68.917 1.00 0.00 N ATOM 5991 C5 A B 279 83.707 3.854 -69.781 1.00 0.00 C ATOM 5992 C6 A B 279 83.338 4.217 -71.086 1.00 0.00 C ATOM 5993 N6 A B 279 83.935 5.197 -71.779 1.00 0.00 N ATOM 5994 N1 A B 279 82.329 3.539 -71.656 1.00 0.00 N ATOM 5995 C2 A B 279 81.733 2.564 -70.961 1.00 0.00 C ATOM 5996 N3 A B 279 81.996 2.139 -69.743 1.00 0.00 N ATOM 5997 C4 A B 279 83.010 2.836 -69.196 1.00 0.00 C ATOM 5998 P U B 280 83.438 4.736 -64.088 1.00 0.00 P ATOM 5999 O1P U B 280 82.887 5.985 -64.666 1.00 0.00 O ATOM 6000 O2P U B 280 84.594 4.155 -64.813 1.00 0.00 O ATOM 6001 O5* U B 280 83.957 5.088 -62.329 1.00 0.00 O ATOM 6002 C5* U B 280 84.917 6.129 -61.849 1.00 0.00 C ATOM 6003 C4* U B 280 85.370 6.181 -60.276 1.00 0.00 C ATOM 6004 O4* U B 280 85.756 4.942 -59.625 1.00 0.00 O ATOM 6005 C3* U B 280 86.036 7.267 -59.426 1.00 0.00 C ATOM 6006 O3* U B 280 85.833 8.876 -59.715 1.00 0.00 O ATOM 6007 C2* U B 280 85.920 6.683 -58.019 1.00 0.00 C ATOM 6008 O2* U B 280 84.601 6.823 -57.523 1.00 0.00 O ATOM 6009 C1* U B 280 86.136 5.195 -58.284 1.00 0.00 C ATOM 6010 N1 U B 280 87.745 4.657 -58.069 1.00 0.00 N ATOM 6011 C2 U B 280 87.964 3.715 -57.091 1.00 0.00 C ATOM 6012 O2 U B 280 87.078 3.274 -56.380 1.00 0.00 O ATOM 6013 N3 U B 280 89.272 3.290 -56.963 1.00 0.00 N ATOM 6014 C4 U B 280 90.351 3.717 -57.709 1.00 0.00 C ATOM 6015 O4 U B 280 91.482 3.262 -57.503 1.00 0.00 O ATOM 6016 C5 U B 280 90.023 4.708 -58.705 1.00 0.00 C ATOM 6017 C6 U B 280 88.758 5.140 -58.853 1.00 0.00 C ATOM 6018 P C B 281 84.410 9.710 -58.630 1.00 0.00 P ATOM 6019 O1P C B 281 84.936 9.280 -57.317 1.00 0.00 O ATOM 6020 O2P C B 281 83.295 8.901 -59.173 1.00 0.00 O ATOM 6021 O5* C B 281 83.977 11.250 -58.561 1.00 0.00 O ATOM 6022 C5* C B 281 84.392 12.138 -59.615 1.00 0.00 C ATOM 6023 C4* C B 281 83.769 13.505 -59.413 1.00 0.00 C ATOM 6024 O4* C B 281 82.329 13.404 -59.616 1.00 0.00 O ATOM 6025 C3* C B 281 83.903 14.097 -58.011 1.00 0.00 C ATOM 6026 O3* C B 281 85.125 14.743 -57.841 1.00 0.00 O ATOM 6027 C2* C B 281 82.717 15.057 -57.954 1.00 0.00 C ATOM 6028 O2* C B 281 82.991 16.237 -58.694 1.00 0.00 O ATOM 6029 C1* C B 281 81.657 14.283 -58.730 1.00 0.00 C ATOM 6030 N1 C B 281 80.760 13.465 -57.862 1.00 0.00 N ATOM 6031 C2 C B 281 79.795 14.132 -57.116 1.00 0.00 C ATOM 6032 O2 C B 281 79.720 15.363 -57.199 1.00 0.00 O ATOM 6033 N3 C B 281 78.971 13.405 -56.318 1.00 0.00 N ATOM 6034 C4 C B 281 79.083 12.072 -56.256 1.00 0.00 C ATOM 6035 N4 C B 281 78.256 11.407 -55.464 1.00 0.00 N ATOM 6036 C5 C B 281 80.069 11.367 -57.017 1.00 0.00 C ATOM 6037 C6 C B 281 80.883 12.112 -57.807 1.00 0.00 C ATOM 6038 P A B 282 85.835 14.706 -56.372 1.00 0.00 P ATOM 6039 O1P A B 282 87.258 15.110 -56.481 1.00 0.00 O ATOM 6040 O2P A B 282 85.588 13.393 -55.737 1.00 0.00 O ATOM 6041 O5* A B 282 85.007 15.844 -55.610 1.00 0.00 O ATOM 6042 C5* A B 282 85.038 17.188 -56.121 1.00 0.00 C ATOM 6043 C4* A B 282 84.093 18.065 -55.325 1.00 0.00 C ATOM 6044 O4* A B 282 82.722 17.644 -55.589 1.00 0.00 O ATOM 6045 C3* A B 282 84.218 17.974 -53.804 1.00 0.00 C ATOM 6046 O3* A B 282 85.225 18.806 -53.322 1.00 0.00 O ATOM 6047 C2* A B 282 82.827 18.405 -53.340 1.00 0.00 C ATOM 6048 O2* A B 282 82.678 19.811 -53.443 1.00 0.00 O ATOM 6049 C1* A B 282 81.940 17.787 -54.415 1.00 0.00 C ATOM 6050 N9 A B 282 81.410 16.441 -54.052 1.00 0.00 N ATOM 6051 C8 A B 282 81.789 15.203 -54.525 1.00 0.00 C ATOM 6052 N7 A B 282 81.127 14.217 -54.000 1.00 0.00 N ATOM 6053 C5 A B 282 80.247 14.828 -53.120 1.00 0.00 C ATOM 6054 C6 A B 282 79.265 14.323 -52.253 1.00 0.00 C ATOM 6055 N6 A B 282 78.996 13.017 -52.127 1.00 0.00 N ATOM 6056 N1 A B 282 78.569 15.210 -51.521 1.00 0.00 N ATOM 6057 C2 A B 282 78.844 16.508 -51.647 1.00 0.00 C ATOM 6058 N3 A B 282 79.732 17.095 -52.421 1.00 0.00 N ATOM 6059 C4 A B 282 80.416 16.184 -53.145 1.00 0.00 C ATOM 6060 P G B 283 86.082 18.324 -52.018 1.00 0.00 P ATOM 6061 O1P G B 283 87.314 19.136 -51.890 1.00 0.00 O ATOM 6062 O2P G B 283 86.281 16.860 -52.070 1.00 0.00 O ATOM 6063 O5* G B 283 85.065 18.695 -50.838 1.00 0.00 O ATOM 6064 C5* G B 283 84.667 20.066 -50.667 1.00 0.00 C ATOM 6065 C4* G B 283 83.611 20.166 -49.581 1.00 0.00 C ATOM 6066 O4* G B 283 82.391 19.522 -50.049 1.00 0.00 O ATOM 6067 C3* G B 283 83.932 19.443 -48.273 1.00 0.00 C ATOM 6068 O3* G B 283 84.721 20.227 -47.436 1.00 0.00 O ATOM 6069 C2* G B 283 82.539 19.184 -47.701 1.00 0.00 C ATOM 6070 O2* G B 283 81.996 20.368 -47.146 1.00 0.00 O ATOM 6071 C1* G B 283 81.739 18.880 -48.965 1.00 0.00 C ATOM 6072 N9 G B 283 81.646 17.427 -49.279 1.00 0.00 N ATOM 6073 C8 G B 283 82.292 16.705 -50.260 1.00 0.00 C ATOM 6074 N7 G B 283 81.989 15.429 -50.269 1.00 0.00 N ATOM 6075 C5 G B 283 81.076 15.295 -49.222 1.00 0.00 C ATOM 6076 C6 G B 283 80.394 14.148 -48.744 1.00 0.00 C ATOM 6077 O6 G B 283 80.457 12.991 -49.153 1.00 0.00 O ATOM 6078 N1 G B 283 79.563 14.458 -47.661 1.00 0.00 N ATOM 6079 C2 G B 283 79.411 15.718 -47.110 1.00 0.00 C ATOM 6080 N2 G B 283 78.568 15.809 -46.081 1.00 0.00 N ATOM 6081 N3 G B 283 80.052 16.796 -47.559 1.00 0.00 N ATOM 6082 C4 G B 283 80.865 16.511 -48.612 1.00 0.00 C ATOM 6083 P U B 284 85.822 19.490 -46.479 1.00 0.00 P ATOM 6084 O1P U B 284 86.788 20.481 -45.955 1.00 0.00 O ATOM 6085 O2P U B 284 86.408 18.339 -47.200 1.00 0.00 O ATOM 6086 O5* U B 284 84.885 18.970 -45.290 1.00 0.00 O ATOM 6087 C5* U B 284 84.142 19.928 -44.514 1.00 0.00 C ATOM 6088 C4* U B 284 83.235 19.211 -43.534 1.00 0.00 C ATOM 6089 O4* U B 284 82.194 18.515 -44.279 1.00 0.00 O ATOM 6090 C3* U B 284 83.890 18.108 -42.703 1.00 0.00 C ATOM 6091 O3* U B 284 84.522 18.626 -41.575 1.00 0.00 O ATOM 6092 C2* U B 284 82.699 17.218 -42.353 1.00 0.00 C ATOM 6093 O2* U B 284 81.918 17.807 -41.325 1.00 0.00 O ATOM 6094 C1* U B 284 81.874 17.292 -43.633 1.00 0.00 C ATOM 6095 N1 U B 284 82.151 16.183 -44.587 1.00 0.00 N ATOM 6096 C2 U B 284 81.647 14.944 -44.270 1.00 0.00 C ATOM 6097 O2 U B 284 81.001 14.733 -43.259 1.00 0.00 O ATOM 6098 N3 U B 284 81.924 13.942 -45.177 1.00 0.00 N ATOM 6099 C4 U B 284 82.643 14.070 -46.348 1.00 0.00 C ATOM 6100 O4 U B 284 82.824 13.095 -47.082 1.00 0.00 O ATOM 6101 C5 U B 284 83.131 15.404 -46.594 1.00 0.00 C ATOM 6102 C6 U B 284 82.877 16.400 -45.729 1.00 0.00 C ATOM 6103 P G B 285 85.887 17.905 -41.039 1.00 0.00 P ATOM 6104 O1P G B 285 86.596 18.792 -40.091 1.00 0.00 O ATOM 6105 O2P G B 285 86.680 17.430 -42.193 1.00 0.00 O ATOM 6106 O5* G B 285 85.274 16.650 -40.253 1.00 0.00 O ATOM 6107 C5* G B 285 84.390 16.889 -39.140 1.00 0.00 C ATOM 6108 C4* G B 285 83.834 15.574 -38.629 1.00 0.00 C ATOM 6109 O4* G B 285 82.949 15.015 -39.640 1.00 0.00 O ATOM 6110 C3* G B 285 84.862 14.467 -38.384 1.00 0.00 C ATOM 6111 O3* G B 285 85.450 14.585 -37.130 1.00 0.00 O ATOM 6112 C2* G B 285 84.008 13.208 -38.520 1.00 0.00 C ATOM 6113 O2* G B 285 83.220 13.008 -37.360 1.00 0.00 O ATOM 6114 C1* G B 285 83.053 13.601 -39.643 1.00 0.00 C ATOM 6115 N9 G B 285 83.514 13.176 -40.997 1.00 0.00 N ATOM 6116 C8 G B 285 84.040 13.938 -42.014 1.00 0.00 C ATOM 6117 N7 G B 285 84.349 13.254 -43.090 1.00 0.00 N ATOM 6118 C5 G B 285 84.001 11.944 -42.758 1.00 0.00 C ATOM 6119 C6 G B 285 84.103 10.750 -43.520 1.00 0.00 C ATOM 6120 O6 G B 285 84.525 10.602 -44.665 1.00 0.00 O ATOM 6121 N1 G B 285 83.635 9.645 -42.799 1.00 0.00 N ATOM 6122 C2 G B 285 83.136 9.683 -41.513 1.00 0.00 C ATOM 6123 N2 G B 285 82.740 8.514 -41.000 1.00 0.00 N ATOM 6124 N3 G B 285 83.041 10.801 -40.799 1.00 0.00 N ATOM 6125 C4 G B 285 83.490 11.887 -41.481 1.00 0.00 C ATOM 6126 P U B 286 87.011 14.142 -36.951 1.00 0.00 P ATOM 6127 O1P U B 286 87.555 14.674 -35.682 1.00 0.00 O ATOM 6128 O2P U B 286 87.767 14.498 -38.174 1.00 0.00 O ATOM 6129 O5* U B 286 86.864 12.551 -36.853 1.00 0.00 O ATOM 6130 C5* U B 286 86.085 11.989 -35.781 1.00 0.00 C ATOM 6131 C4* U B 286 85.974 10.488 -35.954 1.00 0.00 C ATOM 6132 O4* U B 286 85.167 10.206 -37.134 1.00 0.00 O ATOM 6133 C3* U B 286 87.287 9.750 -36.223 1.00 0.00 C ATOM 6134 O3* U B 286 87.963 9.461 -35.039 1.00 0.00 O ATOM 6135 C2* U B 286 86.806 8.495 -36.948 1.00 0.00 C ATOM 6136 O2* U B 286 86.241 7.570 -36.033 1.00 0.00 O ATOM 6137 C1* U B 286 85.658 9.047 -37.785 1.00 0.00 C ATOM 6138 N1 U B 286 86.057 9.437 -39.167 1.00 0.00 N ATOM 6139 C2 U B 286 86.293 8.417 -40.061 1.00 0.00 C ATOM 6140 O2 U B 286 86.188 7.238 -39.764 1.00 0.00 O ATOM 6141 N3 U B 286 86.662 8.812 -41.330 1.00 0.00 N ATOM 6142 C4 U B 286 86.811 10.112 -41.772 1.00 0.00 C ATOM 6143 O4 U B 286 87.145 10.344 -42.937 1.00 0.00 O ATOM 6144 C5 U B 286 86.542 11.110 -40.763 1.00 0.00 C ATOM 6145 C6 U B 286 86.184 10.752 -39.522 1.00 0.00 C ATOM 6146 P G B 287 89.595 9.471 -35.044 1.00 0.00 P ATOM 6147 O1P G B 287 90.113 9.509 -33.658 1.00 0.00 O ATOM 6148 O2P G B 287 90.078 10.546 -35.942 1.00 0.00 O ATOM 6149 O5* G B 287 89.903 8.042 -35.698 1.00 0.00 O ATOM 6150 C5* G B 287 89.438 6.857 -35.029 1.00 0.00 C ATOM 6151 C4* G B 287 89.725 5.635 -35.882 1.00 0.00 C ATOM 6152 O4* G B 287 88.896 5.688 -37.077 1.00 0.00 O ATOM 6153 C3* G B 287 91.150 5.525 -36.425 1.00 0.00 C ATOM 6154 O3* G B 287 92.010 4.951 -35.492 1.00 0.00 O ATOM 6155 C2* G B 287 90.951 4.652 -37.660 1.00 0.00 C ATOM 6156 O2* G B 287 90.774 3.294 -37.295 1.00 0.00 O ATOM 6157 C1* G B 287 89.610 5.151 -38.181 1.00 0.00 C ATOM 6158 N9 G B 287 89.725 6.219 -39.216 1.00 0.00 N ATOM 6159 C8 G B 287 89.485 7.569 -39.102 1.00 0.00 C ATOM 6160 N7 G B 287 89.684 8.240 -40.210 1.00 0.00 N ATOM 6161 C5 G B 287 90.084 7.264 -41.122 1.00 0.00 C ATOM 6162 C6 G B 287 90.437 7.383 -42.490 1.00 0.00 C ATOM 6163 O6 G B 287 90.475 8.390 -43.194 1.00 0.00 O ATOM 6164 N1 G B 287 90.781 6.138 -43.040 1.00 0.00 N ATOM 6165 C2 G B 287 90.780 4.939 -42.356 1.00 0.00 C ATOM 6166 N2 G B 287 91.142 3.863 -43.058 1.00 0.00 N ATOM 6167 N3 G B 287 90.449 4.827 -41.072 1.00 0.00 N ATOM 6168 C4 G B 287 90.111 6.027 -40.523 1.00 0.00 C ATOM 6169 P U B 288 93.566 5.449 -35.448 1.00 0.00 P ATOM 6170 O1P U B 288 94.209 5.011 -34.188 1.00 0.00 O ATOM 6171 O2P U B 288 93.625 6.899 -35.733 1.00 0.00 O ATOM 6172 O5* U B 288 94.177 4.632 -36.682 1.00 0.00 O ATOM 6173 C5* U B 288 94.135 3.191 -36.652 1.00 0.00 C ATOM 6174 C4* U B 288 94.652 2.631 -37.962 1.00 0.00 C ATOM 6175 O4* U B 288 93.708 2.967 -39.020 1.00 0.00 O ATOM 6176 C3* U B 288 95.979 3.207 -38.457 1.00 0.00 C ATOM 6177 O3* U B 288 97.067 2.561 -37.873 1.00 0.00 O ATOM 6178 C2* U B 288 95.888 2.968 -39.964 1.00 0.00 C ATOM 6179 O2* U B 288 96.136 1.607 -40.271 1.00 0.00 O ATOM 6180 C1* U B 288 94.409 3.223 -40.226 1.00 0.00 C ATOM 6181 N1 U B 288 94.108 4.620 -40.645 1.00 0.00 N ATOM 6182 C2 U B 288 94.453 4.978 -41.926 1.00 0.00 C ATOM 6183 O2 U B 288 94.986 4.209 -42.710 1.00 0.00 O ATOM 6184 N3 U B 288 94.159 6.281 -42.277 1.00 0.00 N ATOM 6185 C4 U B 288 93.561 7.231 -41.476 1.00 0.00 C ATOM 6186 O4 U B 288 93.346 8.367 -41.904 1.00 0.00 O ATOM 6187 C5 U B 288 93.236 6.764 -40.151 1.00 0.00 C ATOM 6188 C6 U B 288 93.512 5.502 -39.781 1.00 0.00 C ATOM 6189 P G B 289 98.417 3.422 -37.563 1.00 0.00 P ATOM 6190 O1P G B 289 99.295 2.678 -36.633 1.00 0.00 O ATOM 6191 O2P G B 289 98.044 4.790 -37.140 1.00 0.00 O ATOM 6192 O5* G B 289 99.086 3.467 -39.015 1.00 0.00 O ATOM 6193 C5* G B 289 99.446 2.232 -39.657 1.00 0.00 C ATOM 6194 C4* G B 289 99.942 2.502 -41.065 1.00 0.00 C ATOM 6195 O4* G B 289 98.828 2.980 -41.874 1.00 0.00 O ATOM 6196 C3* G B 289 100.992 3.601 -41.201 1.00 0.00 C ATOM 6197 O3* G B 289 102.276 3.121 -40.953 1.00 0.00 O ATOM 6198 C2* G B 289 100.800 4.055 -42.648 1.00 0.00 C ATOM 6199 O2* G B 289 101.374 3.118 -43.545 1.00 0.00 O ATOM 6200 C1* G B 289 99.285 3.947 -42.803 1.00 0.00 C ATOM 6201 N9 G B 289 98.565 5.220 -42.536 1.00 0.00 N ATOM 6202 C8 G B 289 97.804 5.580 -41.444 1.00 0.00 C ATOM 6203 N7 G B 289 97.301 6.788 -41.518 1.00 0.00 N ATOM 6204 C5 G B 289 97.760 7.265 -42.744 1.00 0.00 C ATOM 6205 C6 G B 289 97.545 8.514 -43.376 1.00 0.00 C ATOM 6206 O6 G B 289 96.892 9.479 -42.979 1.00 0.00 O ATOM 6207 N1 G B 289 98.194 8.580 -44.617 1.00 0.00 N ATOM 6208 C2 G B 289 98.954 7.570 -45.173 1.00 0.00 C ATOM 6209 N2 G B 289 99.493 7.830 -46.366 1.00 0.00 N ATOM 6210 N3 G B 289 99.157 6.397 -44.577 1.00 0.00 N ATOM 6211 C4 G B 289 98.532 6.315 -43.373 1.00 0.00 C ATOM 6212 P U B 290 103.363 4.109 -40.244 1.00 0.00 P ATOM 6213 O1P U B 290 104.514 3.325 -39.739 1.00 0.00 O ATOM 6214 O2P U B 290 102.679 4.959 -39.246 1.00 0.00 O ATOM 6215 O5* U B 290 103.821 5.000 -41.491 1.00 0.00 O ATOM 6216 C5* U B 290 104.433 4.353 -42.623 1.00 0.00 C ATOM 6217 C4* U B 290 104.668 5.360 -43.729 1.00 0.00 C ATOM 6218 O4* U B 290 103.380 5.794 -44.254 1.00 0.00 O ATOM 6219 C3* U B 290 105.352 6.664 -43.311 1.00 0.00 C ATOM 6220 O3* U B 290 106.739 6.527 -43.284 1.00 0.00 O ATOM 6221 C2* U B 290 104.879 7.635 -44.388 1.00 0.00 C ATOM 6222 O2* U B 290 105.580 7.422 -45.601 1.00 0.00 O ATOM 6223 C1* U B 290 103.446 7.164 -44.618 1.00 0.00 C ATOM 6224 N1 U B 290 102.436 7.903 -43.810 1.00 0.00 N ATOM 6225 C2 U B 290 102.138 9.186 -44.204 1.00 0.00 C ATOM 6226 O2 U B 290 102.658 9.721 -45.167 1.00 0.00 O ATOM 6227 N3 U B 290 101.198 9.839 -43.431 1.00 0.00 N ATOM 6228 C4 U B 290 100.549 9.330 -42.324 1.00 0.00 C ATOM 6229 O4 U B 290 99.727 10.013 -41.711 1.00 0.00 O ATOM 6230 C5 U B 290 100.929 7.979 -41.988 1.00 0.00 C ATOM 6231 C6 U B 290 101.842 7.320 -42.725 1.00 0.00 C ATOM 6232 P G B 291 107.587 7.364 -42.165 1.00 0.00 P ATOM 6233 O1P G B 291 108.959 6.819 -42.050 1.00 0.00 O ATOM 6234 O2P G B 291 106.812 7.429 -40.904 1.00 0.00 O ATOM 6235 O5* G B 291 107.634 8.812 -42.846 1.00 0.00 O ATOM 6236 C5* G B 291 108.265 8.956 -44.130 1.00 0.00 C ATOM 6237 C4* G B 291 108.084 10.374 -44.638 1.00 0.00 C ATOM 6238 O4* G B 291 106.677 10.593 -44.937 1.00 0.00 O ATOM 6239 C3* G B 291 108.429 11.487 -43.646 1.00 0.00 C ATOM 6240 O3* G B 291 109.792 11.771 -43.647 1.00 0.00 O ATOM 6241 C2* G B 291 107.584 12.649 -44.165 1.00 0.00 C ATOM 6242 O2* G B 291 108.174 13.223 -45.318 1.00 0.00 O ATOM 6243 C1* G B 291 106.319 11.930 -44.624 1.00 0.00 C ATOM 6244 N9 G B 291 105.245 11.886 -43.593 1.00 0.00 N ATOM 6245 C8 G B 291 104.822 10.828 -42.819 1.00 0.00 C ATOM 6246 N7 G B 291 103.844 11.128 -41.998 1.00 0.00 N ATOM 6247 C5 G B 291 103.601 12.478 -42.245 1.00 0.00 C ATOM 6248 C6 G B 291 102.657 13.360 -41.662 1.00 0.00 C ATOM 6249 O6 G B 291 101.824 13.127 -40.787 1.00 0.00 O ATOM 6250 N1 G B 291 102.754 14.649 -42.203 1.00 0.00 N ATOM 6251 C2 G B 291 103.646 15.033 -43.185 1.00 0.00 C ATOM 6252 N2 G B 291 103.579 16.310 -43.572 1.00 0.00 N ATOM 6253 N3 G B 291 104.533 14.204 -43.734 1.00 0.00 N ATOM 6254 C4 G B 291 104.453 12.951 -43.215 1.00 0.00 C ATOM 6255 P U B 292 110.498 12.224 -42.245 1.00 0.00 P ATOM 6256 O1P U B 292 111.973 12.122 -42.359 1.00 0.00 O ATOM 6257 O2P U B 292 109.887 11.484 -41.121 1.00 0.00 O ATOM 6258 O5* U B 292 110.065 13.763 -42.178 1.00 0.00 O ATOM 6259 C5* U B 292 110.481 14.654 -43.229 1.00 0.00 C ATOM 6260 C4* U B 292 109.859 16.021 -43.028 1.00 0.00 C ATOM 6261 O4* U B 292 108.420 15.919 -43.230 1.00 0.00 O ATOM 6262 C3* U B 292 109.992 16.614 -41.626 1.00 0.00 C ATOM 6263 O3* U B 292 111.216 17.257 -41.458 1.00 0.00 O ATOM 6264 C2* U B 292 108.807 17.575 -41.569 1.00 0.00 C ATOM 6265 O2* U B 292 109.079 18.752 -42.308 1.00 0.00 O ATOM 6266 C1* U B 292 107.747 16.798 -42.344 1.00 0.00 C ATOM 6267 N1 U B 292 106.853 15.983 -41.477 1.00 0.00 N ATOM 6268 C2 U B 292 105.903 16.656 -40.745 1.00 0.00 C ATOM 6269 O2 U B 292 105.776 17.868 -40.782 1.00 0.00 O ATOM 6270 N3 U B 292 105.092 15.864 -39.956 1.00 0.00 N ATOM 6271 C4 U B 292 105.150 14.489 -39.839 1.00 0.00 C ATOM 6272 O4 U B 292 104.367 13.890 -39.099 1.00 0.00 O ATOM 6273 C5 U B 292 106.175 13.872 -40.646 1.00 0.00 C ATOM 6274 C6 U B 292 106.979 14.619 -41.423 1.00 0.00 C ATOM 6275 P U B 293 111.927 17.225 -39.987 1.00 0.00 P ATOM 6276 O1P U B 293 113.347 17.627 -40.096 1.00 0.00 O ATOM 6277 O2P U B 293 111.678 15.909 -39.353 1.00 0.00 O ATOM 6278 O5* U B 293 111.098 18.359 -39.226 1.00 0.00 O ATOM 6279 C5* U B 293 111.127 19.706 -39.735 1.00 0.00 C ATOM 6280 C4* U B 293 110.182 20.583 -38.941 1.00 0.00 C ATOM 6281 O4* U B 293 108.811 20.159 -39.206 1.00 0.00 O ATOM 6282 C3* U B 293 110.307 20.490 -37.418 1.00 0.00 C ATOM 6283 O3* U B 293 111.316 21.321 -36.937 1.00 0.00 O ATOM 6284 C2* U B 293 108.916 20.921 -36.956 1.00 0.00 C ATOM 6285 O2* U B 293 108.766 22.327 -37.058 1.00 0.00 O ATOM 6286 C1* U B 293 108.028 20.301 -38.029 1.00 0.00 C ATOM 6287 N1 U B 293 107.500 18.958 -37.664 1.00 0.00 N ATOM 6288 C2 U B 293 106.494 18.912 -36.732 1.00 0.00 C ATOM 6289 O2 U B 293 106.034 19.913 -36.205 1.00 0.00 O ATOM 6290 N3 U B 293 106.030 17.651 -36.421 1.00 0.00 N ATOM 6291 C4 U B 293 106.475 16.457 -36.951 1.00 0.00 C ATOM 6292 O4 U B 293 105.980 15.387 -36.594 1.00 0.00 O ATOM 6293 C5 U B 293 107.531 16.608 -37.924 1.00 0.00 C ATOM 6294 C6 U B 293 108.004 17.822 -38.245 1.00 0.00 C ATOM 6295 P A B 294 111.604 22.894 -37.614 1.00 0.00 P ATOM 6296 O1P A B 294 111.181 24.193 -37.049 1.00 0.00 O ATOM 6297 O2P A B 294 111.435 22.747 -39.076 1.00 0.00 O ATOM 6298 O5* A B 294 113.046 21.979 -36.528 1.00 0.00 O ATOM 6299 C5* A B 294 114.441 21.029 -36.278 1.00 0.00 C ATOM 6300 C4* A B 294 116.005 20.853 -37.181 1.00 0.00 C ATOM 6301 O4* A B 294 116.693 19.661 -37.650 1.00 0.00 O ATOM 6302 C3* A B 294 116.587 21.979 -38.043 1.00 0.00 C ATOM 6303 O3* A B 294 116.082 23.294 -37.937 1.00 0.00 O ATOM 6304 C2* A B 294 118.040 21.539 -38.200 1.00 0.00 C ATOM 6305 O2* A B 294 118.775 21.799 -37.014 1.00 0.00 O ATOM 6306 C1* A B 294 117.896 20.025 -38.308 1.00 0.00 C ATOM 6307 N9 A B 294 117.838 19.432 -39.899 1.00 0.00 N ATOM 6308 C8 A B 294 116.868 18.652 -40.486 1.00 0.00 C ATOM 6309 N7 A B 294 117.184 18.213 -41.663 1.00 0.00 N ATOM 6310 C5 A B 294 118.454 18.732 -41.885 1.00 0.00 C ATOM 6311 C6 A B 294 119.343 18.627 -42.966 1.00 0.00 C ATOM 6312 N6 A B 294 119.076 17.929 -44.079 1.00 0.00 N ATOM 6313 N1 A B 294 120.522 19.268 -42.863 1.00 0.00 N ATOM 6314 C2 A B 294 120.783 19.960 -41.754 1.00 0.00 C ATOM 6315 N3 A B 294 120.032 20.127 -40.686 1.00 0.00 N ATOM 6316 C4 A B 294 118.857 19.474 -40.814 1.00 0.00 C ATOM 6317 P G B 295 114.409 22.775 -38.308 1.00 0.00 P ATOM 6318 O1P G B 295 113.852 21.406 -38.285 1.00 0.00 O ATOM 6319 O2P G B 295 114.018 23.610 -39.465 1.00 0.00 O ATOM 6320 O5* G B 295 114.046 23.532 -36.946 1.00 0.00 O ATOM 6321 C5* G B 295 114.254 24.955 -36.863 1.00 0.00 C ATOM 6322 C4* G B 295 113.731 25.475 -35.539 1.00 0.00 C ATOM 6323 O4* G B 295 112.278 25.353 -35.525 1.00 0.00 O ATOM 6324 C3* G B 295 114.178 24.709 -34.295 1.00 0.00 C ATOM 6325 O3* G B 295 115.426 25.135 -33.851 1.00 0.00 O ATOM 6326 C2* G B 295 113.058 25.025 -33.303 1.00 0.00 C ATOM 6327 O2* G B 295 113.200 26.338 -32.790 1.00 0.00 O ATOM 6328 C1* G B 295 111.835 25.035 -34.217 1.00 0.00 C ATOM 6329 N9 G B 295 111.121 23.728 -34.276 1.00 0.00 N ATOM 6330 C8 G B 295 111.099 22.794 -35.289 1.00 0.00 C ATOM 6331 N7 G B 295 110.365 21.740 -35.025 1.00 0.00 N ATOM 6332 C5 G B 295 109.869 21.992 -33.746 1.00 0.00 C ATOM 6333 C6 G B 295 109.014 21.212 -32.926 1.00 0.00 C ATOM 6334 O6 G B 295 108.511 20.115 -33.164 1.00 0.00 O ATOM 6335 N1 G B 295 108.759 21.845 -31.702 1.00 0.00 N ATOM 6336 C2 G B 295 109.266 23.072 -31.318 1.00 0.00 C ATOM 6337 N2 G B 295 108.905 23.504 -30.110 1.00 0.00 N ATOM 6338 N3 G B 295 110.068 23.803 -32.089 1.00 0.00 N ATOM 6339 C4 G B 295 110.323 23.204 -33.281 1.00 0.00 C ATOM 6340 P U B 296 116.431 24.046 -33.168 1.00 0.00 P ATOM 6341 O1P U B 296 117.807 24.587 -33.104 1.00 0.00 O ATOM 6342 O2P U B 296 116.284 22.743 -33.853 1.00 0.00 O ATOM 6343 O5* U B 296 115.818 23.954 -31.693 1.00 0.00 O ATOM 6344 C5* U B 296 115.775 25.138 -30.879 1.00 0.00 C ATOM 6345 C4* U B 296 115.047 24.851 -29.582 1.00 0.00 C ATOM 6346 O4* U B 296 113.643 24.604 -29.876 1.00 0.00 O ATOM 6347 C3* U B 296 115.491 23.594 -28.832 1.00 0.00 C ATOM 6348 O3* U B 296 116.602 23.844 -28.031 1.00 0.00 O ATOM 6349 C2* U B 296 114.246 23.249 -28.020 1.00 0.00 C ATOM 6350 O2* U B 296 114.117 24.113 -26.903 1.00 0.00 O ATOM 6351 C1* U B 296 113.131 23.616 -28.996 1.00 0.00 C ATOM 6352 N1 U B 296 112.653 22.472 -29.817 1.00 0.00 N ATOM 6353 C2 U B 296 111.868 21.534 -29.187 1.00 0.00 C ATOM 6354 O2 U B 296 111.559 21.609 -28.011 1.00 0.00 O ATOM 6355 N3 U B 296 111.446 20.486 -29.982 1.00 0.00 N ATOM 6356 C4 U B 296 111.732 20.304 -31.320 1.00 0.00 C ATOM 6357 O4 U B 296 111.297 19.322 -31.927 1.00 0.00 O ATOM 6358 C5 U B 296 112.562 21.336 -31.891 1.00 0.00 C ATOM 6359 C6 U B 296 112.988 22.368 -31.140 1.00 0.00 C ATOM 6360 P G B 297 117.704 22.656 -27.826 1.00 0.00 P ATOM 6361 O1P G B 297 118.956 23.212 -27.268 1.00 0.00 O ATOM 6362 O2P G B 297 117.843 21.889 -29.084 1.00 0.00 O ATOM 6363 O5* G B 297 116.974 21.758 -26.720 1.00 0.00 O ATOM 6364 C5* G B 297 116.659 22.341 -25.442 1.00 0.00 C ATOM 6365 C4* G B 297 115.863 21.359 -24.608 1.00 0.00 C ATOM 6366 O4* G B 297 114.552 21.173 -25.214 1.00 0.00 O ATOM 6367 C3* G B 297 116.434 19.942 -24.521 1.00 0.00 C ATOM 6368 O3* G B 297 117.404 19.841 -23.527 1.00 0.00 O ATOM 6369 C2* G B 297 115.189 19.113 -24.210 1.00 0.00 C ATOM 6370 O2* G B 297 114.811 19.259 -22.854 1.00 0.00 O ATOM 6371 C1* G B 297 114.131 19.831 -25.045 1.00 0.00 C ATOM 6372 N9 G B 297 113.929 19.234 -26.395 1.00 0.00 N ATOM 6373 C8 G B 297 114.330 19.712 -27.626 1.00 0.00 C ATOM 6374 N7 G B 297 113.994 18.942 -28.633 1.00 0.00 N ATOM 6375 C5 G B 297 113.325 17.878 -28.027 1.00 0.00 C ATOM 6376 C6 G B 297 112.726 16.728 -28.604 1.00 0.00 C ATOM 6377 O6 G B 297 112.664 16.405 -29.788 1.00 0.00 O ATOM 6378 N1 G B 297 112.155 15.904 -27.626 1.00 0.00 N ATOM 6379 C2 G B 297 112.158 16.160 -26.266 1.00 0.00 C ATOM 6380 N2 G B 297 111.558 15.247 -25.500 1.00 0.00 N ATOM 6381 N3 G B 297 112.721 17.239 -25.728 1.00 0.00 N ATOM 6382 C4 G B 297 113.279 18.049 -26.663 1.00 0.00 C ATOM 6383 P G B 298 117.684 18.025 -22.975 1.00 0.00 P ATOM 6384 O1P G B 298 117.010 17.869 -21.664 1.00 0.00 O ATOM 6385 O2P G B 298 119.146 17.795 -22.980 1.00 0.00 O ATOM 6386 O5* G B 298 116.892 16.748 -24.142 1.00 0.00 O ATOM 6387 C5* G B 298 116.627 15.368 -24.792 1.00 0.00 C ATOM 6388 C4* G B 298 116.004 14.046 -23.910 1.00 0.00 C ATOM 6389 O4* G B 298 115.468 14.725 -22.736 1.00 0.00 O ATOM 6390 C3* G B 298 114.953 12.983 -24.229 1.00 0.00 C ATOM 6391 O3* G B 298 114.780 11.840 -25.331 1.00 0.00 O ATOM 6392 C2* G B 298 114.485 12.565 -22.841 1.00 0.00 C ATOM 6393 O2* G B 298 115.438 11.719 -22.219 1.00 0.00 O ATOM 6394 C1* G B 298 114.520 13.893 -22.092 1.00 0.00 C ATOM 6395 N9 G B 298 113.021 14.723 -22.039 1.00 0.00 N ATOM 6396 C8 G B 298 111.811 14.369 -22.594 1.00 0.00 C ATOM 6397 N7 G B 298 110.871 15.272 -22.440 1.00 0.00 N ATOM 6398 C5 G B 298 111.505 16.296 -21.737 1.00 0.00 C ATOM 6399 C6 G B 298 111.001 17.539 -21.283 1.00 0.00 C ATOM 6400 O6 G B 298 109.875 18.006 -21.411 1.00 0.00 O ATOM 6401 N1 G B 298 111.983 18.274 -20.609 1.00 0.00 N ATOM 6402 C2 G B 298 113.286 17.864 -20.403 1.00 0.00 C ATOM 6403 N2 G B 298 114.073 18.711 -19.733 1.00 0.00 N ATOM 6404 N3 G B 298 113.759 16.698 -20.829 1.00 0.00 N ATOM 6405 C4 G B 298 112.818 15.967 -21.484 1.00 0.00 C ATOM 6406 P A B 299 114.881 9.963 -25.012 1.00 0.00 P ATOM 6407 O1P A B 299 115.242 9.735 -23.592 1.00 0.00 O ATOM 6408 O2P A B 299 115.843 9.442 -26.009 1.00 0.00 O ATOM 6409 O5* A B 299 113.251 9.031 -25.327 1.00 0.00 O ATOM 6410 C5* A B 299 112.851 7.588 -24.955 1.00 0.00 C ATOM 6411 C4* A B 299 111.721 6.572 -25.705 1.00 0.00 C ATOM 6412 O4* A B 299 111.265 7.126 -26.969 1.00 0.00 O ATOM 6413 C3* A B 299 111.803 5.069 -25.970 1.00 0.00 C ATOM 6414 O3* A B 299 111.657 3.879 -24.925 1.00 0.00 O ATOM 6415 C2* A B 299 110.615 4.842 -26.904 1.00 0.00 C ATOM 6416 O2* A B 299 109.402 4.846 -26.174 1.00 0.00 O ATOM 6417 C1* A B 299 110.637 6.117 -27.744 1.00 0.00 C ATOM 6418 N9 A B 299 111.464 5.981 -29.210 1.00 0.00 N ATOM 6419 C8 A B 299 112.755 6.355 -29.500 1.00 0.00 C ATOM 6420 N7 A B 299 113.064 6.230 -30.755 1.00 0.00 N ATOM 6421 C5 A B 299 111.909 5.738 -31.339 1.00 0.00 C ATOM 6422 C6 A B 299 111.592 5.387 -32.663 1.00 0.00 C ATOM 6423 N6 A B 299 112.457 5.487 -33.685 1.00 0.00 N ATOM 6424 N1 A B 299 110.348 4.928 -32.899 1.00 0.00 N ATOM 6425 C2 A B 299 109.495 4.830 -31.881 1.00 0.00 C ATOM 6426 N3 A B 299 109.676 5.124 -30.614 1.00 0.00 N ATOM 6427 C4 A B 299 110.929 5.580 -30.402 1.00 0.00 C ATOM 6428 P A B 300 112.896 2.515 -24.486 1.00 0.00 P ATOM 6429 O1P A B 300 112.615 2.213 -23.068 1.00 0.00 O ATOM 6430 O2P A B 300 114.265 2.997 -24.782 1.00 0.00 O ATOM 6431 O5* A B 300 112.599 0.868 -25.394 1.00 0.00 O ATOM 6432 C5* A B 300 112.948 -0.588 -25.824 1.00 0.00 C ATOM 6433 C4* A B 300 112.890 -1.977 -24.716 1.00 0.00 C ATOM 6434 O4* A B 300 111.742 -1.709 -23.860 1.00 0.00 O ATOM 6435 C3* A B 300 113.982 -2.422 -23.737 1.00 0.00 C ATOM 6436 O3* A B 300 115.567 -3.034 -24.116 1.00 0.00 O ATOM 6437 C2* A B 300 113.700 -1.543 -22.527 1.00 0.00 C ATOM 6438 O2* A B 300 114.159 -0.219 -22.744 1.00 0.00 O ATOM 6439 C1* A B 300 112.178 -1.494 -22.523 1.00 0.00 C ATOM 6440 N9 A B 300 111.440 -2.636 -21.533 1.00 0.00 N ATOM 6441 C8 A B 300 111.705 -2.914 -20.215 1.00 0.00 C ATOM 6442 N7 A B 300 110.833 -3.697 -19.657 1.00 0.00 N ATOM 6443 C5 A B 300 109.926 -3.965 -20.667 1.00 0.00 C ATOM 6444 C6 A B 300 108.755 -4.740 -20.709 1.00 0.00 C ATOM 6445 N6 A B 300 108.284 -5.426 -19.660 1.00 0.00 N ATOM 6446 N1 A B 300 108.088 -4.788 -21.878 1.00 0.00 N ATOM 6447 C2 A B 300 108.559 -4.106 -22.918 1.00 0.00 C ATOM 6448 N3 A B 300 109.636 -3.350 -22.997 1.00 0.00 N ATOM 6449 C4 A B 300 110.286 -3.319 -21.817 1.00 0.00 C ATOM 6450 P G B 301 116.192 -4.671 -25.018 1.00 0.00 P ATOM 6451 O1P G B 301 114.839 -5.145 -24.649 1.00 0.00 O ATOM 6452 O2P G B 301 117.277 -5.672 -24.902 1.00 0.00 O ATOM 6453 O5* G B 301 116.167 -4.066 -26.499 1.00 0.00 O ATOM 6454 C5* G B 301 115.199 -3.056 -26.823 1.00 0.00 C ATOM 6455 C4* G B 301 115.436 -2.540 -28.227 1.00 0.00 C ATOM 6456 O4* G B 301 116.694 -1.809 -28.256 1.00 0.00 O ATOM 6457 C3* G B 301 115.608 -3.608 -29.309 1.00 0.00 C ATOM 6458 O3* G B 301 114.376 -4.049 -29.790 1.00 0.00 O ATOM 6459 C2* G B 301 116.420 -2.864 -30.367 1.00 0.00 C ATOM 6460 O2* G B 301 115.602 -1.971 -31.097 1.00 0.00 O ATOM 6461 C1* G B 301 117.344 -2.013 -29.502 1.00 0.00 C ATOM 6462 N9 G B 301 118.667 -2.647 -29.232 1.00 0.00 N ATOM 6463 C8 G B 301 119.136 -3.226 -28.073 1.00 0.00 C ATOM 6464 N7 G B 301 120.355 -3.696 -28.169 1.00 0.00 N ATOM 6465 C5 G B 301 120.721 -3.405 -29.483 1.00 0.00 C ATOM 6466 C6 G B 301 121.932 -3.671 -30.174 1.00 0.00 C ATOM 6467 O6 G B 301 122.947 -4.226 -29.762 1.00 0.00 O ATOM 6468 N1 G B 301 121.878 -3.210 -31.496 1.00 0.00 N ATOM 6469 C2 G B 301 120.797 -2.573 -32.076 1.00 0.00 C ATOM 6470 N2 G B 301 120.945 -2.208 -33.350 1.00 0.00 N ATOM 6471 N3 G B 301 119.661 -2.323 -31.424 1.00 0.00 N ATOM 6472 C4 G B 301 119.697 -2.766 -30.137 1.00 0.00 C ATOM 6473 P C B 302 114.228 -5.610 -30.249 1.00 0.00 P ATOM 6474 O1P C B 302 112.796 -5.971 -30.374 1.00 0.00 O ATOM 6475 O2P C B 302 115.034 -6.466 -29.350 1.00 0.00 O ATOM 6476 O5* C B 302 114.901 -5.563 -31.700 1.00 0.00 O ATOM 6477 C5* C B 302 114.326 -4.711 -32.708 1.00 0.00 C ATOM 6478 C4* C B 302 115.190 -4.728 -33.954 1.00 0.00 C ATOM 6479 O4* C B 302 116.458 -4.075 -33.656 1.00 0.00 O ATOM 6480 C3* C B 302 115.602 -6.110 -34.466 1.00 0.00 C ATOM 6481 O3* C B 302 114.614 -6.672 -35.269 1.00 0.00 O ATOM 6482 C2* C B 302 116.883 -5.800 -35.231 1.00 0.00 C ATOM 6483 O2* C B 302 116.585 -5.205 -36.485 1.00 0.00 O ATOM 6484 C1* C B 302 117.508 -4.714 -34.363 1.00 0.00 C ATOM 6485 N1 C B 302 118.484 -5.231 -33.366 1.00 0.00 N ATOM 6486 C2 C B 302 119.732 -5.645 -33.829 1.00 0.00 C ATOM 6487 O2 C B 302 119.973 -5.562 -35.040 1.00 0.00 O ATOM 6488 N3 C B 302 120.636 -6.121 -32.938 1.00 0.00 N ATOM 6489 C4 C B 302 120.336 -6.194 -31.635 1.00 0.00 C ATOM 6490 N4 C B 302 121.255 -6.668 -30.805 1.00 0.00 N ATOM 6491 C5 C B 302 119.062 -5.777 -31.135 1.00 0.00 C ATOM 6492 C6 C B 302 118.171 -5.303 -32.043 1.00 0.00 C ATOM 6493 P G B 303 114.405 -8.292 -35.238 1.00 0.00 P ATOM 6494 O1P G B 303 113.106 -8.651 -35.854 1.00 0.00 O ATOM 6495 O2P G B 303 114.626 -8.790 -33.863 1.00 0.00 O ATOM 6496 O5* G B 303 115.602 -8.767 -36.188 1.00 0.00 O ATOM 6497 C5* G B 303 115.632 -8.316 -37.554 1.00 0.00 C ATOM 6498 C4* G B 303 116.907 -8.781 -38.225 1.00 0.00 C ATOM 6499 O4* G B 303 118.038 -8.085 -37.626 1.00 0.00 O ATOM 6500 C3* G B 303 117.252 -10.260 -38.052 1.00 0.00 C ATOM 6501 O3* G B 303 116.594 -11.053 -38.988 1.00 0.00 O ATOM 6502 C2* G B 303 118.767 -10.261 -38.240 1.00 0.00 C ATOM 6503 O2* G B 303 119.105 -10.139 -39.611 1.00 0.00 O ATOM 6504 C1* G B 303 119.162 -8.948 -37.569 1.00 0.00 C ATOM 6505 N9 G B 303 119.554 -9.103 -36.141 1.00 0.00 N ATOM 6506 C8 G B 303 118.855 -8.758 -35.003 1.00 0.00 C ATOM 6507 N7 G B 303 119.487 -9.025 -33.888 1.00 0.00 N ATOM 6508 C5 G B 303 120.688 -9.591 -34.314 1.00 0.00 C ATOM 6509 C6 G B 303 121.786 -10.081 -33.560 1.00 0.00 C ATOM 6510 O6 G B 303 121.926 -10.121 -32.340 1.00 0.00 O ATOM 6511 N1 G B 303 122.801 -10.569 -34.395 1.00 0.00 N ATOM 6512 C2 G B 303 122.763 -10.578 -35.775 1.00 0.00 C ATOM 6513 N2 G B 303 123.834 -11.085 -36.388 1.00 0.00 N ATOM 6514 N3 G B 303 121.735 -10.118 -36.480 1.00 0.00 N ATOM 6515 C4 G B 303 120.738 -9.640 -35.687 1.00 0.00 C ATOM 6516 P U B 304 116.122 -12.554 -38.553 1.00 0.00 P ATOM 6517 O1P U B 304 115.141 -13.084 -39.527 1.00 0.00 O ATOM 6518 O2P U B 304 115.685 -12.544 -37.140 1.00 0.00 O ATOM 6519 O5* U B 304 117.504 -13.353 -38.688 1.00 0.00 O ATOM 6520 C5* U B 304 118.154 -13.411 -39.970 1.00 0.00 C ATOM 6521 C4* U B 304 119.497 -14.103 -39.838 1.00 0.00 C ATOM 6522 O4* U B 304 120.388 -13.258 -39.055 1.00 0.00 O ATOM 6523 C3* U B 304 119.489 -15.433 -39.084 1.00 0.00 C ATOM 6524 O3* U B 304 119.141 -16.493 -39.916 1.00 0.00 O ATOM 6525 C2* U B 304 120.930 -15.522 -38.586 1.00 0.00 C ATOM 6526 O2* U B 304 121.805 -15.895 -39.637 1.00 0.00 O ATOM 6527 C1* U B 304 121.234 -14.067 -38.252 1.00 0.00 C ATOM 6528 N1 U B 304 120.986 -13.715 -36.826 1.00 0.00 N ATOM 6529 C2 U B 304 121.898 -14.170 -35.903 1.00 0.00 C ATOM 6530 O2 U B 304 122.872 -14.838 -36.206 1.00 0.00 O ATOM 6531 N3 U B 304 121.635 -13.826 -34.591 1.00 0.00 N ATOM 6532 C4 U B 304 120.568 -13.080 -34.138 1.00 0.00 C ATOM 6533 O4 U B 304 120.439 -12.832 -32.936 1.00 0.00 O ATOM 6534 C5 U B 304 119.669 -12.643 -35.181 1.00 0.00 C ATOM 6535 C6 U B 304 119.898 -12.967 -36.464 1.00 0.00 C ATOM 6536 P C B 305 118.294 -17.740 -39.288 1.00 0.00 P ATOM 6537 O1P C B 305 117.714 -18.562 -40.375 1.00 0.00 O ATOM 6538 O2P C B 305 117.336 -17.225 -38.288 1.00 0.00 O ATOM 6539 O5* C B 305 119.458 -18.554 -38.556 1.00 0.00 O ATOM 6540 C5* C B 305 120.551 -19.070 -39.340 1.00 0.00 C ATOM 6541 C4* C B 305 121.593 -19.693 -38.432 1.00 0.00 C ATOM 6542 O4* C B 305 122.221 -18.641 -37.642 1.00 0.00 O ATOM 6543 C3* C B 305 121.061 -20.672 -37.384 1.00 0.00 C ATOM 6544 O3* C B 305 120.907 -21.953 -37.913 1.00 0.00 O ATOM 6545 C2* C B 305 122.144 -20.607 -36.310 1.00 0.00 C ATOM 6546 O2* C B 305 123.291 -21.340 -36.703 1.00 0.00 O ATOM 6547 C1* C B 305 122.525 -19.130 -36.348 1.00 0.00 C ATOM 6548 N1 C B 305 121.788 -18.297 -35.357 1.00 0.00 N ATOM 6549 C2 C B 305 122.153 -18.404 -34.015 1.00 0.00 C ATOM 6550 O2 C B 305 123.064 -19.181 -33.708 1.00 0.00 O ATOM 6551 N3 C B 305 121.492 -17.653 -33.097 1.00 0.00 N ATOM 6552 C4 C B 305 120.509 -16.823 -33.474 1.00 0.00 C ATOM 6553 N4 C B 305 119.900 -16.113 -32.538 1.00 0.00 N ATOM 6554 C5 C B 305 120.122 -16.697 -34.846 1.00 0.00 C ATOM 6555 C6 C B 305 120.793 -17.458 -35.748 1.00 0.00 C ATOM 6556 P U B 306 119.684 -22.886 -37.367 1.00 0.00 P ATOM 6557 O1P U B 306 119.461 -24.028 -38.283 1.00 0.00 O ATOM 6558 O2P U B 306 118.502 -22.039 -37.095 1.00 0.00 O ATOM 6559 O5* U B 306 120.302 -23.412 -35.985 1.00 0.00 O ATOM 6560 C5* U B 306 121.515 -24.187 -36.015 1.00 0.00 C ATOM 6561 C4* U B 306 121.984 -24.471 -34.603 1.00 0.00 C ATOM 6562 O4* U B 306 122.407 -23.220 -33.988 1.00 0.00 O ATOM 6563 C3* U B 306 120.922 -25.011 -33.644 1.00 0.00 C ATOM 6564 O3* U B 306 120.783 -26.393 -33.763 1.00 0.00 O ATOM 6565 C2* U B 306 121.472 -24.589 -32.285 1.00 0.00 C ATOM 6566 O2* U B 306 122.545 -25.433 -31.892 1.00 0.00 O ATOM 6567 C1* U B 306 122.079 -23.225 -32.608 1.00 0.00 C ATOM 6568 N1 U B 306 121.154 -22.086 -32.348 1.00 0.00 N ATOM 6569 C2 U B 306 120.939 -21.741 -31.035 1.00 0.00 C ATOM 6570 O2 U B 306 121.466 -22.324 -30.103 1.00 0.00 O ATOM 6571 N3 U B 306 120.079 -20.680 -30.835 1.00 0.00 N ATOM 6572 C4 U B 306 119.430 -19.952 -31.812 1.00 0.00 C ATOM 6573 O4 U B 306 118.683 -19.022 -31.510 1.00 0.00 O ATOM 6574 C5 U B 306 119.720 -20.390 -33.158 1.00 0.00 C ATOM 6575 C6 U B 306 120.554 -21.416 -33.383 1.00 0.00 C ATOM 6576 P G B 307 119.602 -27.184 -34.905 1.00 0.00 P ATOM 6577 O1P G B 307 119.869 -28.635 -35.009 1.00 0.00 O ATOM 6578 O2P G B 307 119.464 -26.463 -36.194 1.00 0.00 O ATOM 6579 O5* G B 307 118.248 -26.860 -33.737 1.00 0.00 O ATOM 6580 C5* G B 307 118.455 -26.499 -32.364 1.00 0.00 C ATOM 6581 C4* G B 307 117.436 -27.145 -31.266 1.00 0.00 C ATOM 6582 O4* G B 307 117.960 -28.232 -30.454 1.00 0.00 O ATOM 6583 C3* G B 307 116.738 -26.233 -30.258 1.00 0.00 C ATOM 6584 O3* G B 307 116.002 -24.989 -30.733 1.00 0.00 O ATOM 6585 C2* G B 307 116.152 -27.240 -29.270 1.00 0.00 C ATOM 6586 O2* G B 307 114.998 -27.860 -29.808 1.00 0.00 O ATOM 6587 C1* G B 307 117.248 -28.299 -29.226 1.00 0.00 C ATOM 6588 N9 G B 307 118.376 -28.113 -27.934 1.00 0.00 N ATOM 6589 C8 G B 307 119.748 -28.049 -27.982 1.00 0.00 C ATOM 6590 N7 G B 307 120.322 -27.977 -26.805 1.00 0.00 N ATOM 6591 C5 G B 307 119.251 -27.992 -25.913 1.00 0.00 C ATOM 6592 C6 G B 307 119.241 -27.934 -24.493 1.00 0.00 C ATOM 6593 O6 G B 307 120.194 -27.862 -23.722 1.00 0.00 O ATOM 6594 N1 G B 307 117.934 -27.977 -23.993 1.00 0.00 N ATOM 6595 C2 G B 307 116.788 -28.058 -24.755 1.00 0.00 C ATOM 6596 N2 G B 307 115.634 -28.085 -24.084 1.00 0.00 N ATOM 6597 N3 G B 307 116.797 -28.107 -26.087 1.00 0.00 N ATOM 6598 C4 G B 307 118.059 -28.076 -26.594 1.00 0.00 C ATOM 6599 P G B 308 117.143 -23.560 -30.860 1.00 0.00 P ATOM 6600 O1P G B 308 118.023 -23.642 -32.048 1.00 0.00 O ATOM 6601 O2P G B 308 117.827 -23.326 -29.567 1.00 0.00 O ATOM 6602 O5* G B 308 115.796 -22.377 -31.159 1.00 0.00 O ATOM 6603 C5* G B 308 114.890 -21.592 -31.941 1.00 0.00 C ATOM 6604 C4* G B 308 113.368 -21.689 -31.373 1.00 0.00 C ATOM 6605 O4* G B 308 112.957 -23.040 -31.003 1.00 0.00 O ATOM 6606 C3* G B 308 112.841 -20.818 -30.236 1.00 0.00 C ATOM 6607 O3* G B 308 112.707 -19.305 -30.524 1.00 0.00 O ATOM 6608 C2* G B 308 111.522 -21.505 -29.892 1.00 0.00 C ATOM 6609 O2* G B 308 110.531 -21.199 -30.857 1.00 0.00 O ATOM 6610 C1* G B 308 111.880 -22.977 -30.082 1.00 0.00 C ATOM 6611 N9 G B 308 112.351 -23.794 -28.640 1.00 0.00 N ATOM 6612 C8 G B 308 113.606 -24.213 -28.245 1.00 0.00 C ATOM 6613 N7 G B 308 113.606 -24.914 -27.138 1.00 0.00 N ATOM 6614 C5 G B 308 112.263 -24.965 -26.771 1.00 0.00 C ATOM 6615 C6 G B 308 111.643 -25.583 -25.660 1.00 0.00 C ATOM 6616 O6 G B 308 112.161 -26.228 -24.748 1.00 0.00 O ATOM 6617 N1 G B 308 110.253 -25.388 -25.667 1.00 0.00 N ATOM 6618 C2 G B 308 109.558 -24.687 -26.638 1.00 0.00 C ATOM 6619 N2 G B 308 108.237 -24.617 -26.468 1.00 0.00 N ATOM 6620 N3 G B 308 110.143 -24.104 -27.677 1.00 0.00 N ATOM 6621 C4 G B 308 111.491 -24.283 -27.681 1.00 0.00 C ATOM 6622 P A B 309 114.246 -18.351 -30.792 1.00 0.00 P ATOM 6623 O1P A B 309 114.418 -17.900 -32.189 1.00 0.00 O ATOM 6624 O2P A B 309 115.399 -19.055 -30.191 1.00 0.00 O ATOM 6625 O5* A B 309 113.664 -16.975 -29.757 1.00 0.00 O ATOM 6626 C5* A B 309 112.443 -16.248 -29.617 1.00 0.00 C ATOM 6627 C4* A B 309 111.675 -16.633 -28.246 1.00 0.00 C ATOM 6628 O4* A B 309 111.093 -17.964 -28.130 1.00 0.00 O ATOM 6629 C3* A B 309 112.286 -16.378 -26.867 1.00 0.00 C ATOM 6630 O3* A B 309 112.575 -14.893 -26.589 1.00 0.00 O ATOM 6631 C2* A B 309 111.274 -17.059 -25.942 1.00 0.00 C ATOM 6632 O2* A B 309 110.114 -16.263 -25.793 1.00 0.00 O ATOM 6633 C1* A B 309 110.877 -18.279 -26.763 1.00 0.00 C ATOM 6634 N9 A B 309 111.740 -19.686 -26.398 1.00 0.00 N ATOM 6635 C8 A B 309 112.810 -20.232 -27.070 1.00 0.00 C ATOM 6636 N7 A B 309 113.375 -21.220 -26.445 1.00 0.00 N ATOM 6637 C5 A B 309 112.638 -21.345 -25.278 1.00 0.00 C ATOM 6638 C6 A B 309 112.740 -22.224 -24.188 1.00 0.00 C ATOM 6639 N6 A B 309 113.670 -23.185 -24.093 1.00 0.00 N ATOM 6640 N1 A B 309 111.847 -22.078 -23.191 1.00 0.00 N ATOM 6641 C2 A B 309 110.921 -21.122 -23.293 1.00 0.00 C ATOM 6642 N3 A B 309 110.729 -20.249 -24.261 1.00 0.00 N ATOM 6643 C4 A B 309 111.643 -20.417 -25.244 1.00 0.00 C ATOM 6644 P A B 310 114.254 -14.279 -26.959 1.00 0.00 P ATOM 6645 O1P A B 310 114.247 -12.835 -27.285 1.00 0.00 O ATOM 6646 O2P A B 310 115.001 -15.147 -27.898 1.00 0.00 O ATOM 6647 O5* A B 310 114.710 -14.524 -25.219 1.00 0.00 O ATOM 6648 C5* A B 310 113.709 -14.534 -24.190 1.00 0.00 C ATOM 6649 C4* A B 310 113.658 -15.957 -23.432 1.00 0.00 C ATOM 6650 O4* A B 310 113.345 -17.159 -24.194 1.00 0.00 O ATOM 6651 C3* A B 310 114.794 -16.392 -22.505 1.00 0.00 C ATOM 6652 O3* A B 310 115.375 -15.494 -21.402 1.00 0.00 O ATOM 6653 C2* A B 310 114.402 -17.833 -22.177 1.00 0.00 C ATOM 6654 O2* A B 310 113.350 -17.861 -21.227 1.00 0.00 O ATOM 6655 C1* A B 310 113.816 -18.305 -23.502 1.00 0.00 C ATOM 6656 N9 A B 310 114.908 -19.119 -24.504 1.00 0.00 N ATOM 6657 C8 A B 310 115.259 -18.828 -25.804 1.00 0.00 C ATOM 6658 N7 A B 310 116.001 -19.731 -26.368 1.00 0.00 N ATOM 6659 C5 A B 310 116.166 -20.694 -25.380 1.00 0.00 C ATOM 6660 C6 A B 310 116.854 -21.913 -25.349 1.00 0.00 C ATOM 6661 N6 A B 310 117.547 -22.398 -26.394 1.00 0.00 N ATOM 6662 N1 A B 310 116.810 -22.627 -24.211 1.00 0.00 N ATOM 6663 C2 A B 310 116.124 -22.142 -23.177 1.00 0.00 C ATOM 6664 N3 A B 310 115.446 -21.019 -23.088 1.00 0.00 N ATOM 6665 C4 A B 310 115.500 -20.326 -24.241 1.00 0.00 C ATOM 6666 P A B 311 117.061 -14.636 -21.560 1.00 0.00 P ATOM 6667 O1P A B 311 117.494 -13.693 -20.506 1.00 0.00 O ATOM 6668 O2P A B 311 116.677 -14.028 -22.854 1.00 0.00 O ATOM 6669 O5* A B 311 118.193 -15.742 -21.797 1.00 0.00 O ATOM 6670 C5* A B 311 118.650 -16.524 -20.679 1.00 0.00 C ATOM 6671 C4* A B 311 119.624 -17.584 -21.153 1.00 0.00 C ATOM 6672 O4* A B 311 118.905 -18.558 -21.961 1.00 0.00 O ATOM 6673 C3* A B 311 120.746 -17.097 -22.074 1.00 0.00 C ATOM 6674 O3* A B 311 121.818 -16.583 -21.345 1.00 0.00 O ATOM 6675 C2* A B 311 121.106 -18.368 -22.836 1.00 0.00 C ATOM 6676 O2* A B 311 121.879 -19.241 -22.029 1.00 0.00 O ATOM 6677 C1* A B 311 119.739 -19.020 -23.015 1.00 0.00 C ATOM 6678 N9 A B 311 119.079 -18.685 -24.305 1.00 0.00 N ATOM 6679 C8 A B 311 118.018 -17.838 -24.543 1.00 0.00 C ATOM 6680 N7 A B 311 117.676 -17.764 -25.795 1.00 0.00 N ATOM 6681 C5 A B 311 118.561 -18.615 -26.436 1.00 0.00 C ATOM 6682 C6 A B 311 118.722 -18.974 -27.783 1.00 0.00 C ATOM 6683 N6 A B 311 117.950 -18.497 -28.773 1.00 0.00 N ATOM 6684 N1 A B 311 119.702 -19.846 -28.082 1.00 0.00 N ATOM 6685 C2 A B 311 120.465 -20.317 -27.096 1.00 0.00 C ATOM 6686 N3 A B 311 120.411 -20.054 -25.807 1.00 0.00 N ATOM 6687 C4 A B 311 119.420 -19.180 -25.539 1.00 0.00 C ATOM 6688 P G B 312 122.670 -15.340 -21.973 1.00 0.00 P ATOM 6689 O1P G B 312 123.503 -14.710 -20.926 1.00 0.00 O ATOM 6690 O2P G B 312 121.751 -14.435 -22.700 1.00 0.00 O ATOM 6691 O5* G B 312 123.605 -16.112 -23.019 1.00 0.00 O ATOM 6692 C5* G B 312 124.515 -17.113 -22.529 1.00 0.00 C ATOM 6693 C4* G B 312 125.203 -17.799 -23.694 1.00 0.00 C ATOM 6694 O4* G B 312 124.222 -18.580 -24.430 1.00 0.00 O ATOM 6695 C3* G B 312 125.804 -16.874 -24.751 1.00 0.00 C ATOM 6696 O3* G B 312 127.079 -16.437 -24.389 1.00 0.00 O ATOM 6697 C2* G B 312 125.819 -17.764 -25.990 1.00 0.00 C ATOM 6698 O2* G B 312 126.879 -18.703 -25.921 1.00 0.00 O ATOM 6699 C1* G B 312 124.521 -18.549 -25.816 1.00 0.00 C ATOM 6700 N9 G B 312 123.357 -17.947 -26.527 1.00 0.00 N ATOM 6701 C8 G B 312 122.284 -17.256 -26.008 1.00 0.00 C ATOM 6702 N7 G B 312 121.422 -16.853 -26.911 1.00 0.00 N ATOM 6703 C5 G B 312 121.965 -17.308 -28.113 1.00 0.00 C ATOM 6704 C6 G B 312 121.485 -17.174 -29.440 1.00 0.00 C ATOM 6705 O6 G B 312 120.461 -16.622 -29.837 1.00 0.00 O ATOM 6706 N1 G B 312 122.347 -17.786 -30.361 1.00 0.00 N ATOM 6707 C2 G B 312 123.519 -18.440 -30.040 1.00 0.00 C ATOM 6708 N2 G B 312 124.203 -18.958 -31.064 1.00 0.00 N ATOM 6709 N3 G B 312 123.971 -18.564 -28.793 1.00 0.00 N ATOM 6710 C4 G B 312 123.145 -17.975 -27.887 1.00 0.00 C ATOM 6711 P G B 313 127.549 -14.938 -24.826 1.00 0.00 P ATOM 6712 O1P G B 313 128.747 -14.532 -24.053 1.00 0.00 O ATOM 6713 O2P G B 313 126.394 -14.015 -24.750 1.00 0.00 O ATOM 6714 O5* G B 313 127.951 -15.181 -26.355 1.00 0.00 O ATOM 6715 C5* G B 313 129.000 -16.118 -26.661 1.00 0.00 C ATOM 6716 C4* G B 313 129.125 -16.286 -28.161 1.00 0.00 C ATOM 6717 O4* G B 313 127.934 -16.952 -28.662 1.00 0.00 O ATOM 6718 C3* G B 313 129.193 -14.990 -28.972 1.00 0.00 C ATOM 6719 O3* G B 313 130.489 -14.482 -29.025 1.00 0.00 O ATOM 6720 C2* G B 313 128.680 -15.442 -30.336 1.00 0.00 C ATOM 6721 O2* G B 313 129.680 -16.167 -31.036 1.00 0.00 O ATOM 6722 C1* G B 313 127.600 -16.446 -29.944 1.00 0.00 C ATOM 6723 N9 G B 313 126.235 -15.855 -29.865 1.00 0.00 N ATOM 6724 C8 G B 313 125.483 -15.547 -28.753 1.00 0.00 C ATOM 6725 N7 G B 313 124.310 -15.031 -29.030 1.00 0.00 N ATOM 6726 C5 G B 313 124.280 -14.996 -30.423 1.00 0.00 C ATOM 6727 C6 G B 313 123.267 -14.543 -31.307 1.00 0.00 C ATOM 6728 O6 G B 313 122.166 -14.071 -31.037 1.00 0.00 O ATOM 6729 N1 G B 313 123.653 -14.689 -32.647 1.00 0.00 N ATOM 6730 C2 G B 313 124.862 -15.205 -33.078 1.00 0.00 C ATOM 6731 N2 G B 313 125.039 -15.260 -34.398 1.00 0.00 N ATOM 6732 N3 G B 313 125.811 -15.629 -32.247 1.00 0.00 N ATOM 6733 C4 G B 313 125.452 -15.497 -30.943 1.00 0.00 C ATOM 6734 P C B 314 130.700 -12.865 -29.057 1.00 0.00 P ATOM 6735 O1P C B 314 132.106 -12.525 -28.742 1.00 0.00 O ATOM 6736 O2P C B 314 129.677 -12.218 -28.206 1.00 0.00 O ATOM 6737 O5* C B 314 130.399 -12.553 -30.598 1.00 0.00 O ATOM 6738 C5* C B 314 131.227 -13.161 -31.607 1.00 0.00 C ATOM 6739 C4* C B 314 130.690 -12.834 -32.986 1.00 0.00 C ATOM 6740 O4* C B 314 129.408 -13.503 -33.162 1.00 0.00 O ATOM 6741 C3* C B 314 130.374 -11.359 -33.243 1.00 0.00 C ATOM 6742 O3* C B 314 131.512 -10.654 -33.631 1.00 0.00 O ATOM 6743 C2* C B 314 129.329 -11.447 -34.350 1.00 0.00 C ATOM 6744 O2* C B 314 129.938 -11.740 -35.596 1.00 0.00 O ATOM 6745 C1* C B 314 128.545 -12.686 -33.935 1.00 0.00 C ATOM 6746 N1 C B 314 127.340 -12.386 -33.113 1.00 0.00 N ATOM 6747 C2 C B 314 126.231 -11.841 -33.758 1.00 0.00 C ATOM 6748 O2 C B 314 126.293 -11.635 -34.977 1.00 0.00 O ATOM 6749 N3 C B 314 125.125 -11.559 -33.027 1.00 0.00 N ATOM 6750 C4 C B 314 125.096 -11.798 -31.709 1.00 0.00 C ATOM 6751 N4 C B 314 123.991 -11.505 -31.041 1.00 0.00 N ATOM 6752 C5 C B 314 126.224 -12.358 -31.027 1.00 0.00 C ATOM 6753 C6 C B 314 127.321 -12.633 -31.775 1.00 0.00 C ATOM 6754 P G B 315 131.660 -9.094 -33.175 1.00 0.00 P ATOM 6755 O1P G B 315 133.060 -8.641 -33.357 1.00 0.00 O ATOM 6756 O2P G B 315 131.099 -8.921 -31.820 1.00 0.00 O ATOM 6757 O5* G B 315 130.718 -8.377 -34.251 1.00 0.00 O ATOM 6758 C5* G B 315 131.033 -8.495 -35.649 1.00 0.00 C ATOM 6759 C4* G B 315 129.946 -7.851 -36.483 1.00 0.00 C ATOM 6760 O4* G B 315 128.726 -8.635 -36.354 1.00 0.00 O ATOM 6761 C3* G B 315 129.526 -6.444 -36.060 1.00 0.00 C ATOM 6762 O3* G B 315 130.369 -5.473 -36.596 1.00 0.00 O ATOM 6763 C2* G B 315 128.102 -6.355 -36.604 1.00 0.00 C ATOM 6764 O2* G B 315 128.115 -6.144 -38.007 1.00 0.00 O ATOM 6765 C1* G B 315 127.597 -7.776 -36.373 1.00 0.00 C ATOM 6766 N9 G B 315 126.864 -7.948 -35.088 1.00 0.00 N ATOM 6767 C8 G B 315 127.277 -8.568 -33.928 1.00 0.00 C ATOM 6768 N7 G B 315 126.383 -8.548 -32.967 1.00 0.00 N ATOM 6769 C5 G B 315 125.304 -7.866 -33.528 1.00 0.00 C ATOM 6770 C6 G B 315 124.045 -7.531 -32.972 1.00 0.00 C ATOM 6771 O6 G B 315 123.611 -7.770 -31.846 1.00 0.00 O ATOM 6772 N1 G B 315 123.248 -6.835 -33.893 1.00 0.00 N ATOM 6773 C2 G B 315 123.621 -6.505 -35.180 1.00 0.00 C ATOM 6774 N2 G B 315 122.717 -5.835 -35.898 1.00 0.00 N ATOM 6775 N3 G B 315 124.803 -6.818 -35.702 1.00 0.00 N ATOM 6776 C4 G B 315 125.590 -7.496 -34.822 1.00 0.00 C ATOM 6777 P C B 316 130.677 -4.130 -35.722 1.00 0.00 P ATOM 6778 O1P C B 316 131.847 -3.415 -36.278 1.00 0.00 O ATOM 6779 O2P C B 316 130.755 -4.481 -34.289 1.00 0.00 O ATOM 6780 O5* C B 316 129.347 -3.282 -36.001 1.00 0.00 O ATOM 6781 C5* C B 316 129.026 -2.907 -37.352 1.00 0.00 C ATOM 6782 C4* C B 316 127.672 -2.227 -37.396 1.00 0.00 C ATOM 6783 O4* C B 316 126.643 -3.205 -37.069 1.00 0.00 O ATOM 6784 C3* C B 316 127.456 -1.109 -36.373 1.00 0.00 C ATOM 6785 O3* C B 316 127.967 0.105 -36.826 1.00 0.00 O ATOM 6786 C2* C B 316 125.935 -1.095 -36.231 1.00 0.00 C ATOM 6787 O2* C B 316 125.334 -0.462 -37.350 1.00 0.00 O ATOM 6788 C1* C B 316 125.603 -2.581 -36.331 1.00 0.00 C ATOM 6789 N1 C B 316 125.507 -3.262 -35.009 1.00 0.00 N ATOM 6790 C2 C B 316 124.381 -3.013 -34.232 1.00 0.00 C ATOM 6791 O2 C B 316 123.512 -2.246 -34.667 1.00 0.00 O ATOM 6792 N3 C B 316 124.269 -3.625 -33.026 1.00 0.00 N ATOM 6793 C4 C B 316 125.231 -4.451 -32.590 1.00 0.00 C ATOM 6794 N4 C B 316 125.078 -5.021 -31.403 1.00 0.00 N ATOM 6795 C5 C B 316 126.398 -4.719 -33.373 1.00 0.00 C ATOM 6796 C6 C B 316 126.487 -4.098 -34.577 1.00 0.00 C ATOM 6797 P G B 317 130.012 -0.362 -36.509 1.00 0.00 P ATOM 6798 O1P G B 317 131.468 -0.597 -36.622 1.00 0.00 O ATOM 6799 O2P G B 317 129.285 -1.251 -35.572 1.00 0.00 O ATOM 6800 O5* G B 317 129.734 1.167 -36.128 1.00 0.00 O ATOM 6801 C5* G B 317 130.274 2.205 -36.968 1.00 0.00 C ATOM 6802 C4* G B 317 129.787 3.560 -36.495 1.00 0.00 C ATOM 6803 O4* G B 317 128.355 3.655 -36.734 1.00 0.00 O ATOM 6804 C3* G B 317 129.930 3.834 -34.998 1.00 0.00 C ATOM 6805 O3* G B 317 131.204 4.297 -34.681 1.00 0.00 O ATOM 6806 C2* G B 317 128.846 4.881 -34.762 1.00 0.00 C ATOM 6807 O2* G B 317 129.261 6.150 -35.238 1.00 0.00 O ATOM 6808 C1* G B 317 127.741 4.400 -35.695 1.00 0.00 C ATOM 6809 N9 G B 317 126.738 3.521 -35.030 1.00 0.00 N ATOM 6810 C8 G B 317 126.570 2.157 -35.134 1.00 0.00 C ATOM 6811 N7 G B 317 125.582 1.687 -34.410 1.00 0.00 N ATOM 6812 C5 G B 317 125.059 2.816 -33.783 1.00 0.00 C ATOM 6813 C6 G B 317 123.977 2.940 -32.877 1.00 0.00 C ATOM 6814 O6 G B 317 123.241 2.063 -32.431 1.00 0.00 O ATOM 6815 N1 G B 317 123.787 4.273 -32.485 1.00 0.00 N ATOM 6816 C2 G B 317 124.544 5.346 -32.912 1.00 0.00 C ATOM 6817 N2 G B 317 124.202 6.539 -32.423 1.00 0.00 N ATOM 6818 N3 G B 317 125.560 5.229 -33.765 1.00 0.00 N ATOM 6819 C4 G B 317 125.759 3.941 -34.154 1.00 0.00 C ATOM 6820 P C B 318 131.857 3.884 -33.243 1.00 0.00 P ATOM 6821 O1P C B 318 133.312 4.148 -33.243 1.00 0.00 O ATOM 6822 O2P C B 318 131.453 2.504 -32.898 1.00 0.00 O ATOM 6823 O5* C B 318 131.120 4.922 -32.273 1.00 0.00 O ATOM 6824 C5* C B 318 131.304 6.333 -32.492 1.00 0.00 C ATOM 6825 C4* C B 318 130.424 7.125 -31.545 1.00 0.00 C ATOM 6826 O4* C B 318 129.031 6.914 -31.912 1.00 0.00 O ATOM 6827 C3* C B 318 130.486 6.708 -30.074 1.00 0.00 C ATOM 6828 O3* C B 318 131.553 7.312 -29.418 1.00 0.00 O ATOM 6829 C2* C B 318 129.130 7.181 -29.552 1.00 0.00 C ATOM 6830 O2* C B 318 129.126 8.586 -29.362 1.00 0.00 O ATOM 6831 C1* C B 318 128.223 6.892 -30.742 1.00 0.00 C ATOM 6832 N1 C B 318 127.547 5.567 -30.675 1.00 0.00 N ATOM 6833 C2 C B 318 126.494 5.420 -29.777 1.00 0.00 C ATOM 6834 O2 C B 318 126.168 6.388 -29.079 1.00 0.00 O ATOM 6835 N3 C B 318 125.865 4.218 -29.699 1.00 0.00 N ATOM 6836 C4 C B 318 126.250 3.194 -30.469 1.00 0.00 C ATOM 6837 N4 C B 318 125.606 2.044 -30.354 1.00 0.00 N ATOM 6838 C5 C B 318 127.331 3.322 -31.400 1.00 0.00 C ATOM 6839 C6 C B 318 127.947 4.531 -31.462 1.00 0.00 C ATOM 6840 P G B 319 133.756 6.758 -30.263 1.00 0.00 P ATOM 6841 O1P G B 319 132.496 6.060 -29.923 1.00 0.00 O ATOM 6842 O2P G B 319 134.584 7.184 -29.112 1.00 0.00 O ATOM 6843 O5* G B 319 133.443 8.017 -31.199 1.00 0.00 O ATOM 6844 C5* G B 319 134.540 8.790 -31.722 1.00 0.00 C ATOM 6845 C4* G B 319 134.023 9.844 -32.673 1.00 0.00 C ATOM 6846 O4* G B 319 133.490 9.188 -33.863 1.00 0.00 O ATOM 6847 C3* G B 319 132.851 10.690 -32.165 1.00 0.00 C ATOM 6848 O3* G B 319 133.294 11.757 -31.388 1.00 0.00 O ATOM 6849 C2* G B 319 132.193 11.141 -33.466 1.00 0.00 C ATOM 6850 O2* G B 319 132.940 12.181 -34.076 1.00 0.00 O ATOM 6851 C1* G B 319 132.362 9.904 -34.342 1.00 0.00 C ATOM 6852 N9 G B 319 131.190 8.988 -34.317 1.00 0.00 N ATOM 6853 C8 G B 319 131.053 7.765 -33.691 1.00 0.00 C ATOM 6854 N7 G B 319 129.878 7.206 -33.864 1.00 0.00 N ATOM 6855 C5 G B 319 129.187 8.122 -34.659 1.00 0.00 C ATOM 6856 C6 G B 319 127.871 8.072 -35.174 1.00 0.00 C ATOM 6857 O6 G B 319 127.021 7.195 -35.036 1.00 0.00 O ATOM 6858 N1 G B 319 127.573 9.211 -35.935 1.00 0.00 N ATOM 6859 C2 G B 319 128.437 10.266 -36.164 1.00 0.00 C ATOM 6860 N2 G B 319 127.962 11.260 -36.910 1.00 0.00 N ATOM 6861 N3 G B 319 129.676 10.310 -35.677 1.00 0.00 N ATOM 6862 C4 G B 319 129.980 9.213 -34.938 1.00 0.00 C ATOM 6863 P A B 320 134.872 12.366 -32.448 1.00 0.00 P ATOM 6864 O1P A B 320 136.092 11.953 -31.723 1.00 0.00 O ATOM 6865 O2P A B 320 134.709 13.822 -32.661 1.00 0.00 O ATOM 6866 O5* A B 320 135.035 11.517 -34.232 1.00 0.00 O ATOM 6867 C5* A B 320 134.852 10.372 -35.406 1.00 0.00 C ATOM 6868 C4* A B 320 133.972 10.449 -36.971 1.00 0.00 C ATOM 6869 O4* A B 320 134.420 11.828 -37.127 1.00 0.00 O ATOM 6870 C3* A B 320 132.682 10.387 -37.793 1.00 0.00 C ATOM 6871 O3* A B 320 131.233 9.287 -37.620 1.00 0.00 O ATOM 6872 C2* A B 320 132.081 11.774 -37.552 1.00 0.00 C ATOM 6873 O2* A B 320 131.494 11.845 -36.266 1.00 0.00 O ATOM 6874 C1* A B 320 133.335 12.648 -37.520 1.00 0.00 C ATOM 6875 N9 A B 320 133.743 13.412 -39.060 1.00 0.00 N ATOM 6876 C8 A B 320 134.232 14.679 -39.283 1.00 0.00 C ATOM 6877 N7 A B 320 134.297 15.007 -40.535 1.00 0.00 N ATOM 6878 C5 A B 320 133.815 13.887 -41.200 1.00 0.00 C ATOM 6879 C6 A B 320 133.628 13.604 -42.563 1.00 0.00 C ATOM 6880 N6 A B 320 133.916 14.473 -43.545 1.00 0.00 N ATOM 6881 N1 A B 320 133.130 12.397 -42.882 1.00 0.00 N ATOM 6882 C2 A B 320 132.843 11.542 -41.899 1.00 0.00 C ATOM 6883 N3 A B 320 132.974 11.693 -40.599 1.00 0.00 N ATOM 6884 C4 A B 320 133.476 12.912 -40.309 1.00 0.00 C ATOM 6885 P U B 321 130.230 7.769 -38.547 1.00 0.00 P ATOM 6886 O1P U B 321 129.523 7.012 -37.490 1.00 0.00 O ATOM 6887 O2P U B 321 131.163 6.984 -39.390 1.00 0.00 O ATOM 6888 O5* U B 321 128.713 8.191 -39.679 1.00 0.00 O ATOM 6889 C5* U B 321 127.259 7.996 -40.161 1.00 0.00 C ATOM 6890 C4* U B 321 126.678 6.784 -41.202 1.00 0.00 C ATOM 6891 O4* U B 321 127.867 6.101 -41.700 1.00 0.00 O ATOM 6892 C3* U B 321 125.703 5.647 -40.885 1.00 0.00 C ATOM 6893 O3* U B 321 124.125 5.800 -40.541 1.00 0.00 O ATOM 6894 C2* U B 321 126.009 4.647 -41.994 1.00 0.00 C ATOM 6895 O2* U B 321 125.436 5.062 -43.223 1.00 0.00 O ATOM 6896 C1* U B 321 127.522 4.798 -42.141 1.00 0.00 C ATOM 6897 N1 U B 321 128.437 3.674 -41.256 1.00 0.00 N ATOM 6898 C2 U B 321 128.487 2.387 -41.743 1.00 0.00 C ATOM 6899 O2 U B 321 127.840 2.025 -42.709 1.00 0.00 O ATOM 6900 N3 U B 321 129.326 1.530 -41.063 1.00 0.00 N ATOM 6901 C4 U B 321 130.101 1.838 -39.963 1.00 0.00 C ATOM 6902 O4 U B 321 130.817 0.979 -39.437 1.00 0.00 O ATOM 6903 C5 U B 321 129.982 3.209 -39.525 1.00 0.00 C ATOM 6904 C6 U B 321 129.170 4.068 -40.170 1.00 0.00 C ATOM 6905 P A B 322 122.699 5.863 -41.802 1.00 0.00 P ATOM 6906 O1P A B 322 123.032 4.976 -42.939 1.00 0.00 O ATOM 6907 O2P A B 322 122.508 7.294 -42.137 1.00 0.00 O ATOM 6908 O5* A B 322 121.040 5.180 -41.149 1.00 0.00 O ATOM 6909 C5* A B 322 119.761 4.759 -41.920 1.00 0.00 C ATOM 6910 C4* A B 322 118.137 4.510 -41.363 1.00 0.00 C ATOM 6911 O4* A B 322 118.232 3.410 -40.411 1.00 0.00 O ATOM 6912 C3* A B 322 117.418 5.612 -40.582 1.00 0.00 C ATOM 6913 O3* A B 322 117.228 7.148 -41.221 1.00 0.00 O ATOM 6914 C2* A B 322 116.440 4.811 -39.728 1.00 0.00 C ATOM 6915 O2* A B 322 115.339 4.371 -40.508 1.00 0.00 O ATOM 6916 C1* A B 322 117.264 3.576 -39.388 1.00 0.00 C ATOM 6917 N9 A B 322 118.076 3.653 -37.891 1.00 0.00 N ATOM 6918 C8 A B 322 117.876 4.534 -36.851 1.00 0.00 C ATOM 6919 N7 A B 322 118.555 4.246 -35.784 1.00 0.00 N ATOM 6920 C5 A B 322 119.256 3.097 -36.128 1.00 0.00 C ATOM 6921 C6 A B 322 120.161 2.292 -35.421 1.00 0.00 C ATOM 6922 N6 A B 322 120.533 2.535 -34.152 1.00 0.00 N ATOM 6923 N1 A B 322 120.672 1.224 -36.058 1.00 0.00 N ATOM 6924 C2 A B 322 120.299 0.988 -37.312 1.00 0.00 C ATOM 6925 N3 A B 322 119.465 1.668 -38.073 1.00 0.00 N ATOM 6926 C4 A B 322 118.968 2.733 -37.408 1.00 0.00 C ATOM 6927 P C B 323 118.861 8.147 -40.309 1.00 0.00 P ATOM 6928 O1P C B 323 119.129 6.792 -40.839 1.00 0.00 O ATOM 6929 O2P C B 323 118.417 8.214 -38.898 1.00 0.00 O ATOM 6930 O5* C B 323 120.150 9.074 -40.514 1.00 0.00 O ATOM 6931 C5* C B 323 119.985 10.383 -41.086 1.00 0.00 C ATOM 6932 C4* C B 323 121.306 11.126 -41.076 1.00 0.00 C ATOM 6933 O4* C B 323 121.673 11.412 -39.696 1.00 0.00 O ATOM 6934 C3* C B 323 122.509 10.354 -41.623 1.00 0.00 C ATOM 6935 O3* C B 323 122.586 10.449 -43.009 1.00 0.00 O ATOM 6936 C2* C B 323 123.678 11.041 -40.919 1.00 0.00 C ATOM 6937 O2* C B 323 123.956 12.296 -41.514 1.00 0.00 O ATOM 6938 C1* C B 323 123.081 11.325 -39.542 1.00 0.00 C ATOM 6939 N1 C B 323 123.373 10.270 -38.534 1.00 0.00 N ATOM 6940 C2 C B 323 124.662 10.204 -38.015 1.00 0.00 C ATOM 6941 O2 C B 323 125.504 11.018 -38.410 1.00 0.00 O ATOM 6942 N3 C B 323 124.947 9.247 -37.095 1.00 0.00 N ATOM 6943 C4 C B 323 124.005 8.382 -36.695 1.00 0.00 C ATOM 6944 N4 C B 323 124.334 7.470 -35.796 1.00 0.00 N ATOM 6945 C5 C B 323 122.672 8.435 -37.215 1.00 0.00 C ATOM 6946 C6 C B 323 122.409 9.396 -38.133 1.00 0.00 C ATOM 6947 P A B 324 124.705 10.500 -43.180 1.00 0.00 P ATOM 6948 O1P A B 324 124.937 11.033 -44.541 1.00 0.00 O ATOM 6949 O2P A B 324 125.014 9.063 -42.987 1.00 0.00 O ATOM 6950 O5* A B 324 126.273 11.326 -42.050 1.00 0.00 O ATOM 6951 C5* A B 324 127.669 12.140 -41.216 1.00 0.00 C ATOM 6952 C4* A B 324 129.570 12.142 -40.635 1.00 0.00 C ATOM 6953 O4* A B 324 129.943 10.874 -41.250 1.00 0.00 O ATOM 6954 C3* A B 324 130.269 12.107 -39.277 1.00 0.00 C ATOM 6955 O3* A B 324 130.536 13.291 -37.684 1.00 0.00 O ATOM 6956 C2* A B 324 130.168 10.631 -38.898 1.00 0.00 C ATOM 6957 O2* A B 324 128.859 10.317 -38.457 1.00 0.00 O ATOM 6958 C1* A B 324 130.351 9.956 -40.251 1.00 0.00 C ATOM 6959 N9 A B 324 132.096 9.415 -40.624 1.00 0.00 N ATOM 6960 C8 A B 324 132.757 9.445 -41.831 1.00 0.00 C ATOM 6961 N7 A B 324 133.887 8.803 -41.832 1.00 0.00 N ATOM 6962 C5 A B 324 133.993 8.312 -40.534 1.00 0.00 C ATOM 6963 C6 A B 324 134.971 7.547 -39.888 1.00 0.00 C ATOM 6964 N6 A B 324 136.090 7.117 -40.489 1.00 0.00 N ATOM 6965 N1 A B 324 134.766 7.237 -38.597 1.00 0.00 N ATOM 6966 C2 A B 324 133.656 7.668 -38.004 1.00 0.00 C ATOM 6967 N3 A B 324 132.671 8.386 -38.500 1.00 0.00 N ATOM 6968 C4 A B 324 132.904 8.686 -39.796 1.00 0.00 C ATOM 6969 P G B 325 131.674 14.539 -36.286 1.00 0.00 P ATOM 6970 O1P G B 325 133.138 14.642 -36.495 1.00 0.00 O ATOM 6971 O2P G B 325 131.184 14.955 -34.952 1.00 0.00 O ATOM 6972 O5* G B 325 130.907 15.356 -37.425 1.00 0.00 O ATOM 6973 C5* G B 325 131.651 15.838 -38.562 1.00 0.00 C ATOM 6974 C4* G B 325 130.708 16.465 -39.566 1.00 0.00 C ATOM 6975 O4* G B 325 129.868 15.424 -40.142 1.00 0.00 O ATOM 6976 C3* G B 325 129.711 17.476 -39.006 1.00 0.00 C ATOM 6977 O3* G B 325 130.274 18.747 -38.892 1.00 0.00 O ATOM 6978 C2* G B 325 128.583 17.420 -40.033 1.00 0.00 C ATOM 6979 O2* G B 325 128.941 18.128 -41.208 1.00 0.00 O ATOM 6980 C1* G B 325 128.570 15.940 -40.394 1.00 0.00 C ATOM 6981 N9 G B 325 127.596 15.139 -39.600 1.00 0.00 N ATOM 6982 C8 G B 325 127.832 14.253 -38.571 1.00 0.00 C ATOM 6983 N7 G B 325 126.745 13.707 -38.076 1.00 0.00 N ATOM 6984 C5 G B 325 125.718 14.275 -38.832 1.00 0.00 C ATOM 6985 C6 G B 325 124.315 14.070 -38.760 1.00 0.00 C ATOM 6986 O6 G B 325 123.681 13.341 -38.006 1.00 0.00 O ATOM 6987 N1 G B 325 123.638 14.848 -39.710 1.00 0.00 N ATOM 6988 C2 G B 325 124.238 15.706 -40.614 1.00 0.00 C ATOM 6989 N2 G B 325 123.418 16.359 -41.438 1.00 0.00 N ATOM 6990 N3 G B 325 125.556 15.894 -40.677 1.00 0.00 N ATOM 6991 C4 G B 325 126.228 15.147 -39.762 1.00 0.00 C ATOM 6992 P G B 326 129.807 19.709 -37.661 1.00 0.00 P ATOM 6993 O1P G B 326 130.756 20.832 -37.499 1.00 0.00 O ATOM 6994 O2P G B 326 129.572 18.883 -36.454 1.00 0.00 O ATOM 6995 O5* G B 326 128.411 20.258 -38.219 1.00 0.00 O ATOM 6996 C5* G B 326 128.402 21.016 -39.446 1.00 0.00 C ATOM 6997 C4* G B 326 126.973 21.323 -39.850 1.00 0.00 C ATOM 6998 O4* G B 326 126.311 20.082 -40.224 1.00 0.00 O ATOM 6999 C3* G B 326 126.081 21.902 -38.754 1.00 0.00 C ATOM 7000 O3* G B 326 126.236 23.282 -38.640 1.00 0.00 O ATOM 7001 C2* G B 326 124.685 21.502 -39.235 1.00 0.00 C ATOM 7002 O2* G B 326 124.263 22.341 -40.300 1.00 0.00 O ATOM 7003 C1* G B 326 124.948 20.127 -39.832 1.00 0.00 C ATOM 7004 N9 G B 326 124.707 19.004 -38.882 1.00 0.00 N ATOM 7005 C8 G B 326 125.618 18.210 -38.223 1.00 0.00 C ATOM 7006 N7 G B 326 125.074 17.304 -37.448 1.00 0.00 N ATOM 7007 C5 G B 326 123.705 17.512 -37.606 1.00 0.00 C ATOM 7008 C6 G B 326 122.605 16.835 -37.020 1.00 0.00 C ATOM 7009 O6 G B 326 122.612 15.897 -36.227 1.00 0.00 O ATOM 7010 N1 G B 326 121.384 17.369 -37.456 1.00 0.00 N ATOM 7011 C2 G B 326 121.246 18.420 -38.341 1.00 0.00 C ATOM 7012 N2 G B 326 119.995 18.784 -38.629 1.00 0.00 N ATOM 7013 N3 G B 326 122.280 19.054 -38.890 1.00 0.00 N ATOM 7014 C4 G B 326 123.471 18.546 -38.478 1.00 0.00 C ATOM 7015 P G B 327 126.101 23.967 -37.166 1.00 0.00 P ATOM 7016 O1P G B 327 126.650 25.340 -37.189 1.00 0.00 O ATOM 7017 O2P G B 327 126.675 23.062 -36.146 1.00 0.00 O ATOM 7018 O5* G B 327 124.508 24.026 -37.004 1.00 0.00 O ATOM 7019 C5* G B 327 123.739 24.784 -37.955 1.00 0.00 C ATOM 7020 C4* G B 327 122.259 24.597 -37.691 1.00 0.00 C ATOM 7021 O4* G B 327 121.895 23.222 -37.995 1.00 0.00 O ATOM 7022 C3* G B 327 121.814 24.782 -36.238 1.00 0.00 C ATOM 7023 O3* G B 327 121.592 26.127 -35.938 1.00 0.00 O ATOM 7024 C2* G B 327 120.537 23.950 -36.188 1.00 0.00 C ATOM 7025 O2* G B 327 119.463 24.636 -36.812 1.00 0.00 O ATOM 7026 C1* G B 327 120.898 22.775 -37.089 1.00 0.00 C ATOM 7027 N9 G B 327 121.440 21.599 -36.351 1.00 0.00 N ATOM 7028 C8 G B 327 122.738 21.141 -36.278 1.00 0.00 C ATOM 7029 N7 G B 327 122.883 20.069 -35.536 1.00 0.00 N ATOM 7030 C5 G B 327 121.590 19.797 -35.088 1.00 0.00 C ATOM 7031 C6 G B 327 121.111 18.758 -34.251 1.00 0.00 C ATOM 7032 O6 G B 327 121.743 17.849 -33.719 1.00 0.00 O ATOM 7033 N1 G B 327 119.730 18.858 -34.048 1.00 0.00 N ATOM 7034 C2 G B 327 118.913 19.832 -34.588 1.00 0.00 C ATOM 7035 N2 G B 327 117.619 19.753 -34.275 1.00 0.00 N ATOM 7036 N3 G B 327 119.362 20.807 -35.376 1.00 0.00 N ATOM 7037 C4 G B 327 120.703 20.728 -35.582 1.00 0.00 C ATOM 7038 P U B 328 120.833 26.416 -34.259 1.00 0.00 P ATOM 7039 O1P U B 328 119.389 26.691 -34.421 1.00 0.00 O ATOM 7040 O2P U B 328 121.610 27.457 -33.543 1.00 0.00 O ATOM 7041 O5* U B 328 121.064 24.777 -33.425 1.00 0.00 O ATOM 7042 C5* U B 328 121.008 23.866 -32.252 1.00 0.00 C ATOM 7043 C4* U B 328 122.079 22.615 -32.361 1.00 0.00 C ATOM 7044 O4* U B 328 123.008 22.980 -33.417 1.00 0.00 O ATOM 7045 C3* U B 328 122.955 21.934 -31.308 1.00 0.00 C ATOM 7046 O3* U B 328 122.393 20.948 -30.205 1.00 0.00 O ATOM 7047 C2* U B 328 123.976 21.198 -32.182 1.00 0.00 C ATOM 7048 O2* U B 328 123.401 20.032 -32.748 1.00 0.00 O ATOM 7049 C1* U B 328 124.178 22.191 -33.321 1.00 0.00 C ATOM 7050 N1 U B 328 125.499 23.223 -33.128 1.00 0.00 N ATOM 7051 C2 U B 328 126.742 22.696 -33.374 1.00 0.00 C ATOM 7052 O2 U B 328 126.924 21.521 -33.648 1.00 0.00 O ATOM 7053 N3 U B 328 127.790 23.594 -33.303 1.00 0.00 N ATOM 7054 C4 U B 328 127.703 24.936 -33.005 1.00 0.00 C ATOM 7055 O4 U B 328 128.710 25.641 -32.967 1.00 0.00 O ATOM 7056 C5 U B 328 126.355 25.394 -32.756 1.00 0.00 C ATOM 7057 C6 U B 328 125.317 24.547 -32.826 1.00 0.00 C ATOM 7058 P G B 329 123.667 19.857 -29.367 1.00 0.00 P ATOM 7059 O1P G B 329 124.552 20.712 -28.540 1.00 0.00 O ATOM 7060 O2P G B 329 124.346 19.014 -30.372 1.00 0.00 O ATOM 7061 O5* G B 329 122.662 18.713 -28.301 1.00 0.00 O ATOM 7062 C5* G B 329 122.855 17.423 -27.574 1.00 0.00 C ATOM 7063 C4* G B 329 123.436 16.179 -28.551 1.00 0.00 C ATOM 7064 O4* G B 329 123.669 16.654 -29.905 1.00 0.00 O ATOM 7065 C3* G B 329 122.998 14.722 -28.745 1.00 0.00 C ATOM 7066 O3* G B 329 122.152 13.950 -27.677 1.00 0.00 O ATOM 7067 C2* G B 329 122.184 14.800 -30.034 1.00 0.00 C ATOM 7068 O2* G B 329 120.907 15.364 -29.793 1.00 0.00 O ATOM 7069 C1* G B 329 122.980 15.837 -30.832 1.00 0.00 C ATOM 7070 N9 G B 329 124.131 15.171 -31.931 1.00 0.00 N ATOM 7071 C8 G B 329 125.493 15.364 -31.984 1.00 0.00 C ATOM 7072 N7 G B 329 126.073 14.813 -33.025 1.00 0.00 N ATOM 7073 C5 G B 329 125.018 14.211 -33.707 1.00 0.00 C ATOM 7074 C6 G B 329 125.021 13.454 -34.910 1.00 0.00 C ATOM 7075 O6 G B 329 125.969 13.161 -35.632 1.00 0.00 O ATOM 7076 N1 G B 329 123.729 13.025 -35.247 1.00 0.00 N ATOM 7077 C2 G B 329 122.582 13.288 -34.520 1.00 0.00 C ATOM 7078 N2 G B 329 121.444 12.789 -35.008 1.00 0.00 N ATOM 7079 N3 G B 329 122.584 13.997 -33.390 1.00 0.00 N ATOM 7080 C4 G B 329 123.827 14.419 -33.050 1.00 0.00 C ATOM 7081 P A B 330 120.902 12.714 -28.261 1.00 0.00 P ATOM 7082 O1P A B 330 121.320 12.073 -29.532 1.00 0.00 O ATOM 7083 O2P A B 330 119.515 13.233 -28.231 1.00 0.00 O ATOM 7084 O5* A B 330 121.234 11.606 -26.859 1.00 0.00 O ATOM 7085 C5* A B 330 122.077 10.491 -26.571 1.00 0.00 C ATOM 7086 C4* A B 330 122.690 9.693 -27.844 1.00 0.00 C ATOM 7087 O4* A B 330 121.827 9.201 -28.911 1.00 0.00 O ATOM 7088 C3* A B 330 124.015 9.979 -28.548 1.00 0.00 C ATOM 7089 O3* A B 330 125.228 9.536 -27.525 1.00 0.00 O ATOM 7090 C2* A B 330 124.081 8.854 -29.578 1.00 0.00 C ATOM 7091 O2* A B 330 124.442 7.630 -28.968 1.00 0.00 O ATOM 7092 C1* A B 330 122.621 8.734 -29.992 1.00 0.00 C ATOM 7093 N9 A B 330 122.204 9.613 -31.382 1.00 0.00 N ATOM 7094 C8 A B 330 122.884 10.664 -31.967 1.00 0.00 C ATOM 7095 N7 A B 330 122.448 10.988 -33.140 1.00 0.00 N ATOM 7096 C5 A B 330 121.399 10.100 -33.369 1.00 0.00 C ATOM 7097 C6 A B 330 120.528 9.925 -34.450 1.00 0.00 C ATOM 7098 N6 A B 330 120.565 10.671 -35.564 1.00 0.00 N ATOM 7099 N1 A B 330 119.602 8.949 -34.352 1.00 0.00 N ATOM 7100 C2 A B 330 119.572 8.209 -33.246 1.00 0.00 C ATOM 7101 N3 A B 330 120.338 8.276 -32.181 1.00 0.00 N ATOM 7102 C4 A B 330 121.251 9.258 -32.306 1.00 0.00 C ATOM 7103 P C B 331 125.062 8.748 -25.794 1.00 0.00 P ATOM 7104 O1P C B 331 123.662 8.858 -25.324 1.00 0.00 O ATOM 7105 O2P C B 331 126.074 9.453 -24.975 1.00 0.00 O ATOM 7106 O5* C B 331 125.535 6.903 -25.726 1.00 0.00 O ATOM 7107 C5* C B 331 125.563 5.788 -24.650 1.00 0.00 C ATOM 7108 C4* C B 331 126.349 4.287 -24.798 1.00 0.00 C ATOM 7109 O4* C B 331 126.917 4.031 -26.113 1.00 0.00 O ATOM 7110 C3* C B 331 126.358 2.916 -24.113 1.00 0.00 C ATOM 7111 O3* C B 331 125.038 2.724 -23.199 1.00 0.00 O ATOM 7112 C2* C B 331 126.040 1.980 -25.277 1.00 0.00 C ATOM 7113 O2* C B 331 124.662 2.036 -25.607 1.00 0.00 O ATOM 7114 C1* C B 331 126.795 2.651 -26.425 1.00 0.00 C ATOM 7115 N1 C B 331 128.346 2.028 -26.714 1.00 0.00 N ATOM 7116 C2 C B 331 128.494 0.649 -26.720 1.00 0.00 C ATOM 7117 O2 C B 331 127.523 -0.059 -26.433 1.00 0.00 O ATOM 7118 N3 C B 331 129.706 0.126 -27.048 1.00 0.00 N ATOM 7119 C4 C B 331 130.734 0.923 -27.357 1.00 0.00 C ATOM 7120 N4 C B 331 131.891 0.361 -27.672 1.00 0.00 N ATOM 7121 C5 C B 331 130.601 2.347 -27.354 1.00 0.00 C ATOM 7122 C6 C B 331 129.383 2.852 -27.025 1.00 0.00 C ATOM 7123 P A B 332 124.168 1.065 -22.995 1.00 0.00 P ATOM 7124 O1P A B 332 123.726 1.020 -21.583 1.00 0.00 O ATOM 7125 O2P A B 332 125.027 -0.056 -23.437 1.00 0.00 O ATOM 7126 O5* A B 332 122.671 0.998 -24.108 1.00 0.00 O ATOM 7127 C5* A B 332 121.932 -0.070 -24.851 1.00 0.00 C ATOM 7128 C4* A B 332 120.708 -0.899 -24.115 1.00 0.00 C ATOM 7129 O4* A B 332 121.114 -1.128 -22.736 1.00 0.00 O ATOM 7130 C3* A B 332 119.218 -0.574 -24.014 1.00 0.00 C ATOM 7131 O3* A B 332 118.152 -0.554 -25.094 1.00 0.00 O ATOM 7132 C2* A B 332 118.769 -1.487 -22.876 1.00 0.00 C ATOM 7133 O2* A B 332 118.650 -2.828 -23.320 1.00 0.00 O ATOM 7134 C1* A B 332 119.974 -1.437 -21.945 1.00 0.00 C ATOM 7135 N9 A B 332 119.861 -0.297 -20.710 1.00 0.00 N ATOM 7136 C8 A B 332 119.531 -0.498 -19.388 1.00 0.00 C ATOM 7137 N7 A B 332 119.377 0.598 -18.711 1.00 0.00 N ATOM 7138 C5 A B 332 119.619 1.604 -19.640 1.00 0.00 C ATOM 7139 C6 A B 332 119.613 3.000 -19.541 1.00 0.00 C ATOM 7140 N6 A B 332 119.344 3.665 -18.409 1.00 0.00 N ATOM 7141 N1 A B 332 119.900 3.703 -20.659 1.00 0.00 N ATOM 7142 C2 A B 332 120.169 3.036 -21.781 1.00 0.00 C ATOM 7143 N3 A B 332 120.204 1.739 -21.990 1.00 0.00 N ATOM 7144 C4 A B 332 119.914 1.063 -20.859 1.00 0.00 C ATOM 7145 P G B 333 116.550 0.123 -24.509 1.00 0.00 P ATOM 7146 O1P G B 333 116.090 -0.076 -23.116 1.00 0.00 O ATOM 7147 O2P G B 333 115.553 -0.155 -25.564 1.00 0.00 O ATOM 7148 O5* G B 333 117.121 1.610 -24.679 1.00 0.00 O ATOM 7149 C5* G B 333 116.782 2.607 -23.700 1.00 0.00 C ATOM 7150 C4* G B 333 117.527 3.892 -23.989 1.00 0.00 C ATOM 7151 O4* G B 333 118.949 3.676 -23.758 1.00 0.00 O ATOM 7152 C3* G B 333 117.458 4.391 -25.433 1.00 0.00 C ATOM 7153 O3* G B 333 116.302 5.131 -25.663 1.00 0.00 O ATOM 7154 C2* G B 333 118.729 5.234 -25.540 1.00 0.00 C ATOM 7155 O2* G B 333 118.561 6.483 -24.886 1.00 0.00 O ATOM 7156 C1* G B 333 119.707 4.423 -24.694 1.00 0.00 C ATOM 7157 N9 G B 333 120.531 3.469 -25.487 1.00 0.00 N ATOM 7158 C8 G B 333 120.431 2.098 -25.571 1.00 0.00 C ATOM 7159 N7 G B 333 121.319 1.544 -26.368 1.00 0.00 N ATOM 7160 C5 G B 333 122.057 2.630 -26.839 1.00 0.00 C ATOM 7161 C6 G B 333 123.155 2.662 -27.735 1.00 0.00 C ATOM 7162 O6 G B 333 123.714 1.729 -28.309 1.00 0.00 O ATOM 7163 N1 G B 333 123.607 3.973 -27.943 1.00 0.00 N ATOM 7164 C2 G B 333 123.065 5.104 -27.361 1.00 0.00 C ATOM 7165 N2 G B 333 123.638 6.264 -27.685 1.00 0.00 N ATOM 7166 N3 G B 333 122.034 5.072 -26.521 1.00 0.00 N ATOM 7167 C4 G B 333 121.585 3.806 -26.308 1.00 0.00 C ATOM 7168 P C B 334 115.605 5.054 -27.138 1.00 0.00 P ATOM 7169 O1P C B 334 114.226 5.593 -27.081 1.00 0.00 O ATOM 7170 O2P C B 334 115.738 3.683 -27.675 1.00 0.00 O ATOM 7171 O5* C B 334 116.543 6.056 -27.965 1.00 0.00 O ATOM 7172 C5* C B 334 116.633 7.428 -27.555 1.00 0.00 C ATOM 7173 C4* C B 334 117.662 8.159 -28.394 1.00 0.00 C ATOM 7174 O4* C B 334 118.983 7.632 -28.080 1.00 0.00 O ATOM 7175 C3* C B 334 117.540 7.967 -29.907 1.00 0.00 C ATOM 7176 O3* C B 334 116.617 8.852 -30.460 1.00 0.00 O ATOM 7177 C2* C B 334 118.967 8.236 -30.377 1.00 0.00 C ATOM 7178 O2* C B 334 119.244 9.626 -30.374 1.00 0.00 O ATOM 7179 C1* C B 334 119.784 7.619 -29.249 1.00 0.00 C ATOM 7180 N1 C B 334 120.191 6.207 -29.509 1.00 0.00 N ATOM 7181 C2 C B 334 121.209 5.986 -30.430 1.00 0.00 C ATOM 7182 O2 C B 334 121.729 6.957 -30.994 1.00 0.00 O ATOM 7183 N3 C B 334 121.594 4.706 -30.684 1.00 0.00 N ATOM 7184 C4 C B 334 121.007 3.680 -30.054 1.00 0.00 C ATOM 7185 N4 C B 334 121.420 2.454 -30.335 1.00 0.00 N ATOM 7186 C5 C B 334 119.960 3.889 -29.102 1.00 0.00 C ATOM 7187 C6 C B 334 119.587 5.172 -28.864 1.00 0.00 C ATOM 7188 P C B 335 116.484 10.991 -29.176 1.00 0.00 P ATOM 7189 O1P C B 335 117.914 10.831 -29.517 1.00 0.00 O ATOM 7190 O2P C B 335 115.662 9.762 -29.247 1.00 0.00 O ATOM 7191 O5* C B 335 115.832 12.129 -30.097 1.00 0.00 O ATOM 7192 C5* C B 335 114.464 12.510 -29.871 1.00 0.00 C ATOM 7193 C4* C B 335 114.097 13.680 -30.761 1.00 0.00 C ATOM 7194 O4* C B 335 114.841 14.854 -30.325 1.00 0.00 O ATOM 7195 C3* C B 335 114.467 13.533 -32.238 1.00 0.00 C ATOM 7196 O3* C B 335 113.493 12.827 -32.941 1.00 0.00 O ATOM 7197 C2* C B 335 114.577 14.990 -32.685 1.00 0.00 C ATOM 7198 O2* C B 335 113.290 15.560 -32.856 1.00 0.00 O ATOM 7199 C1* C B 335 115.192 15.644 -31.451 1.00 0.00 C ATOM 7200 N1 C B 335 116.678 15.739 -31.501 1.00 0.00 N ATOM 7201 C2 C B 335 117.239 16.692 -32.349 1.00 0.00 C ATOM 7202 O2 C B 335 116.485 17.416 -33.015 1.00 0.00 O ATOM 7203 N3 C B 335 118.591 16.796 -32.408 1.00 0.00 N ATOM 7204 C4 C B 335 119.370 15.995 -31.670 1.00 0.00 C ATOM 7205 N4 C B 335 120.683 16.136 -31.766 1.00 0.00 N ATOM 7206 C5 C B 335 118.812 15.008 -30.796 1.00 0.00 C ATOM 7207 C6 C B 335 117.459 14.921 -30.749 1.00 0.00 C ATOM 7208 P C B 336 113.960 11.865 -34.176 1.00 0.00 P ATOM 7209 O1P C B 336 112.867 10.942 -34.547 1.00 0.00 O ATOM 7210 O2P C B 336 115.255 11.234 -33.845 1.00 0.00 O ATOM 7211 O5* C B 336 114.169 12.951 -35.338 1.00 0.00 O ATOM 7212 C5* C B 336 113.047 13.751 -35.754 1.00 0.00 C ATOM 7213 C4* C B 336 113.499 14.784 -36.764 1.00 0.00 C ATOM 7214 O4* C B 336 114.363 15.750 -36.099 1.00 0.00 O ATOM 7215 C3* C B 336 114.353 14.263 -37.919 1.00 0.00 C ATOM 7216 O3* C B 336 113.567 13.751 -38.948 1.00 0.00 O ATOM 7217 C2* C B 336 115.128 15.511 -38.334 1.00 0.00 C ATOM 7218 O2* C B 336 114.306 16.390 -39.078 1.00 0.00 O ATOM 7219 C1* C B 336 115.382 16.177 -36.985 1.00 0.00 C ATOM 7220 N1 C B 336 116.697 15.823 -36.380 1.00 0.00 N ATOM 7221 C2 C B 336 117.840 16.392 -36.932 1.00 0.00 C ATOM 7222 O2 C B 336 117.720 17.162 -37.891 1.00 0.00 O ATOM 7223 N3 C B 336 119.048 16.080 -36.396 1.00 0.00 N ATOM 7224 C4 C B 336 119.138 15.241 -35.355 1.00 0.00 C ATOM 7225 N4 C B 336 120.338 14.971 -34.868 1.00 0.00 N ATOM 7226 C5 C B 336 117.973 14.647 -34.773 1.00 0.00 C ATOM 7227 C6 C B 336 116.774 14.969 -35.324 1.00 0.00 C ATOM 7228 P C B 337 114.126 12.480 -39.807 1.00 0.00 P ATOM 7229 O1P C B 337 113.026 11.863 -40.582 1.00 0.00 O ATOM 7230 O2P C B 337 114.872 11.571 -38.913 1.00 0.00 O ATOM 7231 O5* C B 337 115.141 13.217 -40.804 1.00 0.00 O ATOM 7232 C5* C B 337 114.634 14.216 -41.703 1.00 0.00 C ATOM 7233 C4* C B 337 115.779 14.863 -42.459 1.00 0.00 C ATOM 7234 O4* C B 337 116.577 15.642 -41.521 1.00 0.00 O ATOM 7235 C3* C B 337 116.784 13.905 -43.093 1.00 0.00 C ATOM 7236 O3* C B 337 116.352 13.462 -44.343 1.00 0.00 O ATOM 7237 C2* C B 337 118.042 14.770 -43.179 1.00 0.00 C ATOM 7238 O2* C B 337 117.947 15.694 -44.250 1.00 0.00 O ATOM 7239 C1* C B 337 117.948 15.576 -41.887 1.00 0.00 C ATOM 7240 N1 C B 337 118.696 14.972 -40.749 1.00 0.00 N ATOM 7241 C2 C B 337 120.086 15.067 -40.765 1.00 0.00 C ATOM 7242 O2 C B 337 120.634 15.643 -41.711 1.00 0.00 O ATOM 7243 N3 C B 337 120.787 14.523 -39.737 1.00 0.00 N ATOM 7244 C4 C B 337 120.154 13.908 -38.730 1.00 0.00 C ATOM 7245 N4 C B 337 120.886 13.395 -37.752 1.00 0.00 N ATOM 7246 C5 C B 337 118.728 13.798 -38.694 1.00 0.00 C ATOM 7247 C6 C B 337 118.046 14.347 -39.731 1.00 0.00 C ATOM 7248 P G B 338 115.595 11.848 -44.633 1.00 0.00 P ATOM 7249 O1P G B 338 115.893 11.355 -45.997 1.00 0.00 O ATOM 7250 O2P G B 338 114.179 11.794 -44.220 1.00 0.00 O ATOM 7251 O5* G B 338 116.692 11.215 -43.333 1.00 0.00 O ATOM 7252 C5* G B 338 116.089 10.792 -42.094 1.00 0.00 C ATOM 7253 C4* G B 338 115.146 9.492 -42.423 1.00 0.00 C ATOM 7254 O4* G B 338 115.506 8.933 -43.718 1.00 0.00 O ATOM 7255 C3* G B 338 115.183 8.283 -41.482 1.00 0.00 C ATOM 7256 O3* G B 338 114.362 8.562 -40.193 1.00 0.00 O ATOM 7257 C2* G B 338 114.663 7.166 -42.380 1.00 0.00 C ATOM 7258 O2* G B 338 113.253 7.257 -42.529 1.00 0.00 O ATOM 7259 C1* G B 338 115.271 7.533 -43.724 1.00 0.00 C ATOM 7260 N9 G B 338 116.777 6.726 -44.087 1.00 0.00 N ATOM 7261 C8 G B 338 117.020 5.382 -44.264 1.00 0.00 C ATOM 7262 N7 G B 338 118.262 5.106 -44.583 1.00 0.00 N ATOM 7263 C5 G B 338 118.882 6.357 -44.620 1.00 0.00 C ATOM 7264 C6 G B 338 120.224 6.702 -44.912 1.00 0.00 C ATOM 7265 O6 G B 338 121.166 5.961 -45.194 1.00 0.00 O ATOM 7266 N1 G B 338 120.428 8.086 -44.841 1.00 0.00 N ATOM 7267 C2 G B 338 119.455 9.018 -44.527 1.00 0.00 C ATOM 7268 N2 G B 338 119.848 10.293 -44.515 1.00 0.00 N ATOM 7269 N3 G B 338 118.191 8.691 -44.261 1.00 0.00 N ATOM 7270 C4 G B 338 117.980 7.351 -44.324 1.00 0.00 C ATOM 7271 P U B 339 115.012 8.293 -38.508 1.00 0.00 P ATOM 7272 O1P U B 339 115.394 9.541 -37.807 1.00 0.00 O ATOM 7273 O2P U B 339 115.991 7.191 -38.445 1.00 0.00 O ATOM 7274 O5* U B 339 113.348 7.793 -37.974 1.00 0.00 O ATOM 7275 C5* U B 339 111.970 7.822 -37.599 1.00 0.00 C ATOM 7276 C4* U B 339 111.266 6.396 -37.907 1.00 0.00 C ATOM 7277 O4* U B 339 112.158 5.332 -38.351 1.00 0.00 O ATOM 7278 C3* U B 339 110.286 5.686 -36.970 1.00 0.00 C ATOM 7279 O3* U B 339 109.034 6.423 -36.448 1.00 0.00 O ATOM 7280 C2* U B 339 110.121 4.328 -37.645 1.00 0.00 C ATOM 7281 O2* U B 339 109.277 4.428 -38.777 1.00 0.00 O ATOM 7282 C1* U B 339 111.535 4.073 -38.170 1.00 0.00 C ATOM 7283 N1 U B 339 112.512 3.135 -37.146 1.00 0.00 N ATOM 7284 C2 U B 339 113.860 3.143 -37.396 1.00 0.00 C ATOM 7285 O2 U B 339 114.372 3.797 -38.289 1.00 0.00 O ATOM 7286 N3 U B 339 114.622 2.343 -36.561 1.00 0.00 N ATOM 7287 C4 U B 339 114.152 1.563 -35.526 1.00 0.00 C ATOM 7288 O4 U B 339 114.928 0.890 -34.842 1.00 0.00 O ATOM 7289 C5 U B 339 112.720 1.625 -35.340 1.00 0.00 C ATOM 7290 C6 U B 339 111.960 2.396 -36.139 1.00 0.00 C ATOM 7291 P A B 340 107.696 5.365 -35.753 1.00 0.00 P ATOM 7292 O1P A B 340 108.158 4.550 -34.605 1.00 0.00 O ATOM 7293 O2P A B 340 107.030 4.617 -36.840 1.00 0.00 O ATOM 7294 O5* A B 340 106.638 6.745 -35.157 1.00 0.00 O ATOM 7295 C5* A B 340 105.275 6.488 -34.717 1.00 0.00 C ATOM 7296 C4* A B 340 104.494 7.579 -33.787 1.00 0.00 C ATOM 7297 O4* A B 340 103.090 7.775 -34.131 1.00 0.00 O ATOM 7298 C3* A B 340 104.492 7.510 -32.258 1.00 0.00 C ATOM 7299 O3* A B 340 105.751 7.547 -31.432 1.00 0.00 O ATOM 7300 C2* A B 340 103.401 8.516 -31.900 1.00 0.00 C ATOM 7301 O2* A B 340 103.880 9.846 -32.036 1.00 0.00 O ATOM 7302 C1* A B 340 102.390 8.293 -33.017 1.00 0.00 C ATOM 7303 N9 A B 340 101.145 7.228 -32.633 1.00 0.00 N ATOM 7304 C8 A B 340 100.739 6.101 -33.317 1.00 0.00 C ATOM 7305 N7 A B 340 99.870 5.381 -32.670 1.00 0.00 N ATOM 7306 C5 A B 340 99.676 6.070 -31.485 1.00 0.00 C ATOM 7307 C6 A B 340 98.867 5.821 -30.364 1.00 0.00 C ATOM 7308 N6 A B 340 98.060 4.751 -30.260 1.00 0.00 N ATOM 7309 N1 A B 340 98.906 6.712 -29.357 1.00 0.00 N ATOM 7310 C2 A B 340 99.712 7.767 -29.465 1.00 0.00 C ATOM 7311 N3 A B 340 100.511 8.106 -30.458 1.00 0.00 N ATOM 7312 C4 A B 340 100.444 7.194 -31.453 1.00 0.00 C ATOM 7313 P C B 341 107.134 8.639 -31.889 1.00 0.00 P ATOM 7314 O1P C B 341 106.981 9.677 -32.933 1.00 0.00 O ATOM 7315 O2P C B 341 108.301 7.739 -32.040 1.00 0.00 O ATOM 7316 O5* C B 341 107.165 9.327 -30.442 1.00 0.00 O ATOM 7317 C5* C B 341 106.814 8.544 -29.291 1.00 0.00 C ATOM 7318 C4* C B 341 107.029 9.351 -28.026 1.00 0.00 C ATOM 7319 O4* C B 341 108.460 9.576 -27.848 1.00 0.00 O ATOM 7320 C3* C B 341 106.437 10.761 -28.028 1.00 0.00 C ATOM 7321 O3* C B 341 105.091 10.750 -27.662 1.00 0.00 O ATOM 7322 C2* C B 341 107.315 11.480 -27.005 1.00 0.00 C ATOM 7323 O2* C B 341 106.957 11.113 -25.685 1.00 0.00 O ATOM 7324 C1* C B 341 108.681 10.856 -27.286 1.00 0.00 C ATOM 7325 N1 C B 341 109.513 11.642 -28.237 1.00 0.00 N ATOM 7326 C2 C B 341 110.091 12.820 -27.776 1.00 0.00 C ATOM 7327 O2 C B 341 109.894 13.163 -26.607 1.00 0.00 O ATOM 7328 N3 C B 341 110.856 13.549 -28.631 1.00 0.00 N ATOM 7329 C4 C B 341 111.048 13.145 -29.891 1.00 0.00 C ATOM 7330 N4 C B 341 111.800 13.892 -30.683 1.00 0.00 N ATOM 7331 C5 C B 341 110.461 11.935 -30.385 1.00 0.00 C ATOM 7332 C6 C B 341 109.702 11.220 -29.519 1.00 0.00 C ATOM 7333 P A B 342 104.085 11.840 -28.344 1.00 0.00 P ATOM 7334 O1P A B 342 102.674 11.442 -28.124 1.00 0.00 O ATOM 7335 O2P A B 342 104.479 12.062 -29.752 1.00 0.00 O ATOM 7336 O5* A B 342 104.421 13.141 -27.475 1.00 0.00 O ATOM 7337 C5* A B 342 104.196 13.109 -26.052 1.00 0.00 C ATOM 7338 C4* A B 342 104.697 14.391 -25.420 1.00 0.00 C ATOM 7339 O4* A B 342 106.150 14.434 -25.523 1.00 0.00 O ATOM 7340 C3* A B 342 104.243 15.686 -26.091 1.00 0.00 C ATOM 7341 O3* A B 342 102.985 16.082 -25.646 1.00 0.00 O ATOM 7342 C2* A B 342 105.345 16.663 -25.679 1.00 0.00 C ATOM 7343 O2* A B 342 105.180 17.068 -24.333 1.00 0.00 O ATOM 7344 C1* A B 342 106.580 15.769 -25.728 1.00 0.00 C ATOM 7345 N9 A B 342 107.309 15.822 -27.028 1.00 0.00 N ATOM 7346 C8 A B 342 107.353 14.884 -28.034 1.00 0.00 C ATOM 7347 N7 A B 342 108.086 15.239 -29.046 1.00 0.00 N ATOM 7348 C5 A B 342 108.567 16.492 -28.693 1.00 0.00 C ATOM 7349 C6 A B 342 109.408 17.402 -29.352 1.00 0.00 C ATOM 7350 N6 A B 342 109.941 17.178 -30.561 1.00 0.00 N ATOM 7351 N1 A B 342 109.685 18.556 -28.721 1.00 0.00 N ATOM 7352 C2 A B 342 109.150 18.776 -27.519 1.00 0.00 C ATOM 7353 N3 A B 342 108.357 18.005 -26.810 1.00 0.00 N ATOM 7354 C4 A B 342 108.096 16.854 -27.465 1.00 0.00 C ATOM 7355 P C B 343 101.983 16.837 -26.689 1.00 0.00 P ATOM 7356 O1P C B 343 100.599 16.841 -26.158 1.00 0.00 O ATOM 7357 O2P C B 343 102.153 16.258 -28.040 1.00 0.00 O ATOM 7358 O5* C B 343 102.579 18.321 -26.655 1.00 0.00 O ATOM 7359 C5* C B 343 102.593 19.040 -25.409 1.00 0.00 C ATOM 7360 C4* C B 343 103.309 20.363 -25.581 1.00 0.00 C ATOM 7361 O4* C B 343 104.722 20.106 -25.832 1.00 0.00 O ATOM 7362 C3* C B 343 102.872 21.206 -26.780 1.00 0.00 C ATOM 7363 O3* C B 343 101.745 21.974 -26.484 1.00 0.00 O ATOM 7364 C2* C B 343 104.109 22.060 -27.042 1.00 0.00 C ATOM 7365 O2* C B 343 104.213 23.104 -26.090 1.00 0.00 O ATOM 7366 C1* C B 343 105.232 21.070 -26.740 1.00 0.00 C ATOM 7367 N1 C B 343 105.735 20.349 -27.943 1.00 0.00 N ATOM 7368 C2 C B 343 106.535 21.056 -28.838 1.00 0.00 C ATOM 7369 O2 C B 343 106.792 22.242 -28.597 1.00 0.00 O ATOM 7370 N3 C B 343 107.002 20.416 -29.938 1.00 0.00 N ATOM 7371 C4 C B 343 106.700 19.130 -30.162 1.00 0.00 C ATOM 7372 N4 C B 343 107.182 18.553 -31.253 1.00 0.00 N ATOM 7373 C5 C B 343 105.879 18.385 -29.254 1.00 0.00 C ATOM 7374 C6 C B 343 105.424 19.043 -28.157 1.00 0.00 C ATOM 7375 P A B 344 99.961 21.464 -26.690 1.00 0.00 P ATOM 7376 O1P A B 344 99.590 21.293 -28.111 1.00 0.00 O ATOM 7377 O2P A B 344 99.172 22.458 -25.930 1.00 0.00 O ATOM 7378 O5* A B 344 99.835 19.852 -25.797 1.00 0.00 O ATOM 7379 C5* A B 344 99.198 18.601 -25.389 1.00 0.00 C ATOM 7380 C4* A B 344 97.599 18.441 -25.022 1.00 0.00 C ATOM 7381 O4* A B 344 96.609 18.719 -26.055 1.00 0.00 O ATOM 7382 C3* A B 344 97.068 17.179 -24.337 1.00 0.00 C ATOM 7383 O3* A B 344 97.562 16.723 -22.957 1.00 0.00 O ATOM 7384 C2* A B 344 95.556 17.402 -24.379 1.00 0.00 C ATOM 7385 O2* A B 344 95.160 18.344 -23.395 1.00 0.00 O ATOM 7386 C1* A B 344 95.385 18.076 -25.736 1.00 0.00 C ATOM 7387 N9 A B 344 94.990 17.027 -26.999 1.00 0.00 N ATOM 7388 C8 A B 344 95.140 17.225 -28.351 1.00 0.00 C ATOM 7389 N7 A B 344 94.590 16.303 -29.082 1.00 0.00 N ATOM 7390 C5 A B 344 94.031 15.432 -28.164 1.00 0.00 C ATOM 7391 C6 A B 344 93.301 14.241 -28.305 1.00 0.00 C ATOM 7392 N6 A B 344 92.995 13.703 -29.493 1.00 0.00 N ATOM 7393 N1 A B 344 92.894 13.624 -27.183 1.00 0.00 N ATOM 7394 C2 A B 344 93.210 14.165 -26.003 1.00 0.00 C ATOM 7395 N3 A B 344 93.880 15.264 -25.746 1.00 0.00 N ATOM 7396 C4 A B 344 94.271 15.865 -26.889 1.00 0.00 C ATOM 7397 P A B 345 98.799 17.695 -22.037 1.00 0.00 P ATOM 7398 O1P A B 345 98.415 17.840 -20.613 1.00 0.00 O ATOM 7399 O2P A B 345 99.232 18.931 -22.718 1.00 0.00 O ATOM 7400 O5* A B 345 99.972 16.343 -22.349 1.00 0.00 O ATOM 7401 C5* A B 345 99.948 15.620 -23.598 1.00 0.00 C ATOM 7402 C4* A B 345 100.607 14.139 -23.525 1.00 0.00 C ATOM 7403 O4* A B 345 102.014 14.040 -23.887 1.00 0.00 O ATOM 7404 C3* A B 345 100.489 13.273 -22.266 1.00 0.00 C ATOM 7405 O3* A B 345 99.045 12.921 -21.851 1.00 0.00 O ATOM 7406 C2* A B 345 101.468 12.143 -22.567 1.00 0.00 C ATOM 7407 O2* A B 345 100.908 11.226 -23.491 1.00 0.00 O ATOM 7408 C1* A B 345 102.584 12.884 -23.295 1.00 0.00 C ATOM 7409 N9 A B 345 103.863 13.368 -22.312 1.00 0.00 N ATOM 7410 C8 A B 345 104.825 14.315 -22.567 1.00 0.00 C ATOM 7411 N7 A B 345 105.613 14.550 -21.563 1.00 0.00 N ATOM 7412 C5 A B 345 105.147 13.700 -20.568 1.00 0.00 C ATOM 7413 C6 A B 345 105.562 13.474 -19.246 1.00 0.00 C ATOM 7414 N6 A B 345 106.595 14.113 -18.676 1.00 0.00 N ATOM 7415 N1 A B 345 104.882 12.560 -18.530 1.00 0.00 N ATOM 7416 C2 A B 345 103.859 11.928 -19.102 1.00 0.00 C ATOM 7417 N3 A B 345 103.380 12.059 -20.321 1.00 0.00 N ATOM 7418 C4 A B 345 104.081 12.977 -21.017 1.00 0.00 C ATOM 7419 P A B 346 97.989 11.987 -23.035 1.00 0.00 P ATOM 7420 O1P A B 346 96.548 12.208 -22.790 1.00 0.00 O ATOM 7421 O2P A B 346 98.421 10.575 -23.098 1.00 0.00 O ATOM 7422 O5* A B 346 98.484 12.957 -24.497 1.00 0.00 O ATOM 7423 C5* A B 346 97.967 13.147 -25.821 1.00 0.00 C ATOM 7424 C4* A B 346 98.302 11.899 -26.793 1.00 0.00 C ATOM 7425 O4* A B 346 97.759 10.577 -26.499 1.00 0.00 O ATOM 7426 C3* A B 346 98.272 11.976 -28.324 1.00 0.00 C ATOM 7427 O3* A B 346 98.693 13.221 -29.140 1.00 0.00 O ATOM 7428 C2* A B 346 98.595 10.537 -28.722 1.00 0.00 C ATOM 7429 O2* A B 346 99.982 10.278 -28.563 1.00 0.00 O ATOM 7430 C1* A B 346 97.871 9.743 -27.641 1.00 0.00 C ATOM 7431 N9 A B 346 96.317 9.215 -28.071 1.00 0.00 N ATOM 7432 C8 A B 346 95.155 9.287 -27.335 1.00 0.00 C ATOM 7433 N7 A B 346 94.157 8.643 -27.865 1.00 0.00 N ATOM 7434 C5 A B 346 94.686 8.108 -29.031 1.00 0.00 C ATOM 7435 C6 A B 346 94.126 7.314 -30.046 1.00 0.00 C ATOM 7436 N6 A B 346 92.846 6.906 -30.042 1.00 0.00 N ATOM 7437 N1 A B 346 94.928 6.955 -31.066 1.00 0.00 N ATOM 7438 C2 A B 346 96.196 7.365 -31.061 1.00 0.00 C ATOM 7439 N3 A B 346 96.826 8.101 -30.171 1.00 0.00 N ATOM 7440 C4 A B 346 95.999 8.448 -29.163 1.00 0.00 C ATOM 7441 P A B 347 97.233 13.829 -30.126 1.00 0.00 P ATOM 7442 O1P A B 347 96.113 13.918 -29.163 1.00 0.00 O ATOM 7443 O2P A B 347 97.007 12.953 -31.298 1.00 0.00 O ATOM 7444 O5* A B 347 97.640 15.296 -30.620 1.00 0.00 O ATOM 7445 C5* A B 347 97.211 16.433 -29.852 1.00 0.00 C ATOM 7446 C4* A B 347 97.810 17.703 -30.425 1.00 0.00 C ATOM 7447 O4* A B 347 99.251 17.683 -30.206 1.00 0.00 O ATOM 7448 C3* A B 347 97.670 17.881 -31.937 1.00 0.00 C ATOM 7449 O3* A B 347 96.439 18.436 -32.275 1.00 0.00 O ATOM 7450 C2* A B 347 98.842 18.806 -32.259 1.00 0.00 C ATOM 7451 O2* A B 347 98.551 20.141 -31.873 1.00 0.00 O ATOM 7452 C1* A B 347 99.913 18.294 -31.302 1.00 0.00 C ATOM 7453 N9 A B 347 100.823 17.282 -31.911 1.00 0.00 N ATOM 7454 C8 A B 347 100.865 15.920 -31.708 1.00 0.00 C ATOM 7455 N7 A B 347 101.780 15.314 -32.394 1.00 0.00 N ATOM 7456 C5 A B 347 102.398 16.333 -33.106 1.00 0.00 C ATOM 7457 C6 A B 347 103.459 16.342 -34.025 1.00 0.00 C ATOM 7458 N6 A B 347 104.121 15.236 -34.402 1.00 0.00 N ATOM 7459 N1 A B 347 103.820 17.530 -34.543 1.00 0.00 N ATOM 7460 C2 A B 347 103.161 18.625 -34.167 1.00 0.00 C ATOM 7461 N3 A B 347 102.159 18.737 -33.322 1.00 0.00 N ATOM 7462 C4 A B 347 101.818 17.534 -32.816 1.00 0.00 C ATOM 7463 P A B 348 95.732 17.984 -33.676 1.00 0.00 P ATOM 7464 O1P A B 348 94.304 18.380 -33.680 1.00 0.00 O ATOM 7465 O2P A B 348 96.002 16.552 -33.923 1.00 0.00 O ATOM 7466 O5* A B 348 96.545 18.878 -34.725 1.00 0.00 O ATOM 7467 C5* A B 348 96.494 20.313 -34.605 1.00 0.00 C ATOM 7468 C4* A B 348 97.426 20.950 -35.616 1.00 0.00 C ATOM 7469 O4* A B 348 98.801 20.639 -35.246 1.00 0.00 O ATOM 7470 C3* A B 348 97.306 20.440 -37.051 1.00 0.00 C ATOM 7471 O3* A B 348 96.286 21.090 -37.741 1.00 0.00 O ATOM 7472 C2* A B 348 98.690 20.747 -37.616 1.00 0.00 C ATOM 7473 O2* A B 348 98.820 22.128 -37.905 1.00 0.00 O ATOM 7474 C1* A B 348 99.584 20.461 -36.415 1.00 0.00 C ATOM 7475 N9 A B 348 100.136 19.078 -36.396 1.00 0.00 N ATOM 7476 C8 A B 348 99.777 18.013 -35.599 1.00 0.00 C ATOM 7477 N7 A B 348 100.453 16.931 -35.830 1.00 0.00 N ATOM 7478 C5 A B 348 101.326 17.290 -36.846 1.00 0.00 C ATOM 7479 C6 A B 348 102.317 16.579 -37.542 1.00 0.00 C ATOM 7480 N6 A B 348 102.608 15.291 -37.303 1.00 0.00 N ATOM 7481 N1 A B 348 102.998 17.238 -38.495 1.00 0.00 N ATOM 7482 C2 A B 348 102.708 18.516 -38.727 1.00 0.00 C ATOM 7483 N3 A B 348 101.808 19.281 -38.147 1.00 0.00 N ATOM 7484 C4 A B 348 101.139 18.596 -37.196 1.00 0.00 C ATOM 7485 P U B 349 95.439 20.255 -38.859 1.00 0.00 P ATOM 7486 O1P U B 349 94.194 20.979 -39.205 1.00 0.00 O ATOM 7487 O2P U B 349 95.264 18.859 -38.404 1.00 0.00 O ATOM 7488 O5* U B 349 96.454 20.300 -40.097 1.00 0.00 O ATOM 7489 C5* U B 349 96.832 21.576 -40.643 1.00 0.00 C ATOM 7490 C4* U B 349 97.887 21.388 -41.715 1.00 0.00 C ATOM 7491 O4* U B 349 99.115 20.915 -41.091 1.00 0.00 O ATOM 7492 C3* U B 349 97.580 20.325 -42.770 1.00 0.00 C ATOM 7493 O3* U B 349 96.783 20.835 -43.793 1.00 0.00 O ATOM 7494 C2* U B 349 98.978 19.941 -43.253 1.00 0.00 C ATOM 7495 O2* U B 349 99.504 20.934 -44.115 1.00 0.00 O ATOM 7496 C1* U B 349 99.780 20.012 -41.957 1.00 0.00 C ATOM 7497 N1 U B 349 99.893 18.702 -41.252 1.00 0.00 N ATOM 7498 C2 U B 349 100.747 17.774 -41.795 1.00 0.00 C ATOM 7499 O2 U B 349 101.396 17.980 -42.807 1.00 0.00 O ATOM 7500 N3 U B 349 100.826 16.572 -41.116 1.00 0.00 N ATOM 7501 C4 U B 349 100.141 16.233 -39.969 1.00 0.00 C ATOM 7502 O4 U B 349 100.295 15.127 -39.448 1.00 0.00 O ATOM 7503 C5 U B 349 99.270 17.274 -39.474 1.00 0.00 C ATOM 7504 C6 U B 349 99.173 18.450 -40.116 1.00 0.00 C ATOM 7505 P G B 350 95.695 19.847 -44.504 1.00 0.00 P ATOM 7506 O1P G B 350 94.714 20.640 -45.281 1.00 0.00 O ATOM 7507 O2P G B 350 95.126 18.931 -43.495 1.00 0.00 O ATOM 7508 O5* G B 350 96.642 19.032 -45.508 1.00 0.00 O ATOM 7509 C5* G B 350 97.371 19.750 -46.518 1.00 0.00 C ATOM 7510 C4* G B 350 98.292 18.803 -47.264 1.00 0.00 C ATOM 7511 O4* G B 350 99.340 18.357 -46.357 1.00 0.00 O ATOM 7512 C3* G B 350 97.655 17.505 -47.756 1.00 0.00 C ATOM 7513 O3* G B 350 97.015 17.681 -48.980 1.00 0.00 O ATOM 7514 C2* G B 350 98.860 16.570 -47.849 1.00 0.00 C ATOM 7515 O2* G B 350 99.634 16.866 -49.001 1.00 0.00 O ATOM 7516 C1* G B 350 99.681 17.010 -46.640 1.00 0.00 C ATOM 7517 N9 G B 350 99.420 16.203 -45.415 1.00 0.00 N ATOM 7518 C8 G B 350 98.715 16.542 -44.283 1.00 0.00 C ATOM 7519 N7 G B 350 98.671 15.595 -43.376 1.00 0.00 N ATOM 7520 C5 G B 350 99.398 14.552 -43.953 1.00 0.00 C ATOM 7521 C6 G B 350 99.699 13.262 -43.448 1.00 0.00 C ATOM 7522 O6 G B 350 99.383 12.762 -42.372 1.00 0.00 O ATOM 7523 N1 G B 350 100.466 12.521 -44.358 1.00 0.00 N ATOM 7524 C2 G B 350 100.884 12.970 -45.596 1.00 0.00 C ATOM 7525 N2 G B 350 101.608 12.112 -46.319 1.00 0.00 N ATOM 7526 N3 G B 350 100.601 14.183 -46.068 1.00 0.00 N ATOM 7527 C4 G B 350 99.860 14.915 -45.196 1.00 0.00 C ATOM 7528 P C B 351 95.665 16.818 -49.295 1.00 0.00 P ATOM 7529 O1P C B 351 94.945 17.397 -50.451 1.00 0.00 O ATOM 7530 O2P C B 351 94.876 16.671 -48.053 1.00 0.00 O ATOM 7531 O5* C B 351 96.300 15.407 -49.706 1.00 0.00 O ATOM 7532 C5* C B 351 97.182 15.340 -50.844 1.00 0.00 C ATOM 7533 C4* C B 351 97.757 13.945 -50.971 1.00 0.00 C ATOM 7534 O4* C B 351 98.653 13.699 -49.847 1.00 0.00 O ATOM 7535 C3* C B 351 96.752 12.798 -50.897 1.00 0.00 C ATOM 7536 O3* C B 351 96.160 12.555 -52.136 1.00 0.00 O ATOM 7537 C2* C B 351 97.625 11.638 -50.421 1.00 0.00 C ATOM 7538 O2* C B 351 98.419 11.137 -51.483 1.00 0.00 O ATOM 7539 C1* C B 351 98.567 12.341 -49.453 1.00 0.00 C ATOM 7540 N1 C B 351 98.113 12.300 -48.034 1.00 0.00 N ATOM 7541 C2 C B 351 98.230 11.093 -47.351 1.00 0.00 C ATOM 7542 O2 C B 351 98.702 10.116 -47.941 1.00 0.00 O ATOM 7543 N3 C B 351 97.819 11.035 -46.058 1.00 0.00 N ATOM 7544 C4 C B 351 97.312 12.117 -45.452 1.00 0.00 C ATOM 7545 N4 C B 351 96.927 12.007 -44.191 1.00 0.00 N ATOM 7546 C5 C B 351 97.181 13.366 -46.138 1.00 0.00 C ATOM 7547 C6 C B 351 97.597 13.403 -47.431 1.00 0.00 C ATOM 7548 P A B 352 94.608 12.057 -52.180 1.00 0.00 P ATOM 7549 O1P A B 352 94.062 12.207 -53.547 1.00 0.00 O ATOM 7550 O2P A B 352 93.845 12.725 -51.102 1.00 0.00 O ATOM 7551 O5* A B 352 94.781 10.504 -51.835 1.00 0.00 O ATOM 7552 C5* A B 352 95.572 9.678 -52.713 1.00 0.00 C ATOM 7553 C4* A B 352 95.706 8.284 -52.132 1.00 0.00 C ATOM 7554 O4* A B 352 96.516 8.352 -50.924 1.00 0.00 O ATOM 7555 C3* A B 352 94.404 7.630 -51.666 1.00 0.00 C ATOM 7556 O3* A B 352 93.734 7.014 -52.723 1.00 0.00 O ATOM 7557 C2* A B 352 94.902 6.631 -50.626 1.00 0.00 C ATOM 7558 O2* A B 352 95.482 5.499 -51.249 1.00 0.00 O ATOM 7559 C1* A B 352 96.041 7.411 -49.971 1.00 0.00 C ATOM 7560 N9 A B 352 95.631 8.160 -48.751 1.00 0.00 N ATOM 7561 C8 A B 352 95.435 9.513 -48.587 1.00 0.00 C ATOM 7562 N7 A B 352 95.079 9.851 -47.387 1.00 0.00 N ATOM 7563 C5 A B 352 95.028 8.648 -46.698 1.00 0.00 C ATOM 7564 C6 A B 352 94.710 8.328 -45.368 1.00 0.00 C ATOM 7565 N6 A B 352 94.364 9.243 -44.453 1.00 0.00 N ATOM 7566 N1 A B 352 94.762 7.032 -45.015 1.00 0.00 N ATOM 7567 C2 A B 352 95.105 6.129 -45.930 1.00 0.00 C ATOM 7568 N3 A B 352 95.423 6.307 -47.194 1.00 0.00 N ATOM 7569 C4 A B 352 95.364 7.612 -47.524 1.00 0.00 C ATOM 7570 P C B 353 92.102 7.001 -52.717 1.00 0.00 P ATOM 7571 O1P C B 353 91.590 6.647 -54.058 1.00 0.00 O ATOM 7572 O2P C B 353 91.601 8.275 -52.150 1.00 0.00 O ATOM 7573 O5* C B 353 91.814 5.802 -51.695 1.00 0.00 O ATOM 7574 C5* C B 353 92.301 4.486 -52.008 1.00 0.00 C ATOM 7575 C4* C B 353 92.029 3.543 -50.852 1.00 0.00 C ATOM 7576 O4* C B 353 92.854 3.937 -49.719 1.00 0.00 O ATOM 7577 C3* C B 353 90.604 3.565 -50.296 1.00 0.00 C ATOM 7578 O3* C B 353 89.756 2.741 -51.033 1.00 0.00 O ATOM 7579 C2* C B 353 90.813 3.071 -48.869 1.00 0.00 C ATOM 7580 O2* C B 353 91.014 1.667 -48.844 1.00 0.00 O ATOM 7581 C1* C B 353 92.148 3.716 -48.510 1.00 0.00 C ATOM 7582 N1 C B 353 92.012 5.024 -47.812 1.00 0.00 N ATOM 7583 C2 C B 353 91.608 5.011 -46.479 1.00 0.00 C ATOM 7584 O2 C B 353 91.381 3.920 -45.937 1.00 0.00 O ATOM 7585 N3 C B 353 91.480 6.190 -45.823 1.00 0.00 N ATOM 7586 C4 C B 353 91.736 7.348 -46.444 1.00 0.00 C ATOM 7587 N4 C B 353 91.596 8.473 -45.763 1.00 0.00 N ATOM 7588 C5 C B 353 92.153 7.387 -47.816 1.00 0.00 C ATOM 7589 C6 C B 353 92.277 6.194 -48.453 1.00 0.00 C ATOM 7590 P A B 354 88.193 3.184 -51.207 1.00 0.00 P ATOM 7591 O1P A B 354 87.560 2.406 -52.295 1.00 0.00 O ATOM 7592 O2P A B 354 88.108 4.656 -51.338 1.00 0.00 O ATOM 7593 O5* A B 354 87.591 2.729 -49.798 1.00 0.00 O ATOM 7594 C5* A B 354 87.654 1.338 -49.425 1.00 0.00 C ATOM 7595 C4* A B 354 87.146 1.155 -48.012 1.00 0.00 C ATOM 7596 O4* A B 354 88.083 1.786 -47.090 1.00 0.00 O ATOM 7597 C3* A B 354 85.809 1.826 -47.692 1.00 0.00 C ATOM 7598 O3* A B 354 84.734 1.025 -48.071 1.00 0.00 O ATOM 7599 C2* A B 354 85.899 2.014 -46.179 1.00 0.00 C ATOM 7600 O2* A B 354 85.674 0.788 -45.508 1.00 0.00 O ATOM 7601 C1* A B 354 87.376 2.353 -46.000 1.00 0.00 C ATOM 7602 N9 A B 354 87.653 3.818 -45.984 1.00 0.00 N ATOM 7603 C8 A B 354 88.229 4.601 -46.959 1.00 0.00 C ATOM 7604 N7 A B 354 88.333 5.853 -46.635 1.00 0.00 N ATOM 7605 C5 A B 354 87.794 5.914 -45.358 1.00 0.00 C ATOM 7606 C6 A B 354 87.609 6.977 -44.459 1.00 0.00 C ATOM 7607 N6 A B 354 87.972 8.240 -44.723 1.00 0.00 N ATOM 7608 N1 A B 354 87.040 6.692 -43.273 1.00 0.00 N ATOM 7609 C2 A B 354 86.684 5.435 -43.014 1.00 0.00 C ATOM 7610 N3 A B 354 86.805 4.367 -43.775 1.00 0.00 N ATOM 7611 C4 A B 354 87.376 4.678 -44.954 1.00 0.00 C ATOM 7612 P U B 355 83.368 1.747 -48.607 1.00 0.00 P ATOM 7613 O1P U B 355 82.505 0.761 -49.292 1.00 0.00 O ATOM 7614 O2P U B 355 83.721 2.951 -49.391 1.00 0.00 O ATOM 7615 O5* U B 355 82.696 2.182 -47.221 1.00 0.00 O ATOM 7616 C5* U B 355 82.355 1.166 -46.261 1.00 0.00 C ATOM 7617 C4* U B 355 81.851 1.809 -44.983 1.00 0.00 C ATOM 7618 O4* U B 355 82.956 2.505 -44.340 1.00 0.00 O ATOM 7619 C3* U B 355 80.783 2.887 -45.155 1.00 0.00 C ATOM 7620 O3* U B 355 79.507 2.336 -45.255 1.00 0.00 O ATOM 7621 C2* U B 355 80.968 3.722 -43.889 1.00 0.00 C ATOM 7622 O2* U B 355 80.403 3.064 -42.766 1.00 0.00 O ATOM 7623 C1* U B 355 82.480 3.685 -43.713 1.00 0.00 C ATOM 7624 N1 U B 355 83.182 4.848 -44.324 1.00 0.00 N ATOM 7625 C2 U B 355 83.081 6.053 -43.673 1.00 0.00 C ATOM 7626 O2 U B 355 82.451 6.199 -42.639 1.00 0.00 O ATOM 7627 N3 U B 355 83.744 7.108 -44.269 1.00 0.00 N ATOM 7628 C4 U B 355 84.482 7.059 -45.433 1.00 0.00 C ATOM 7629 O4 U B 355 85.033 8.071 -45.872 1.00 0.00 O ATOM 7630 C5 U B 355 84.531 5.749 -46.044 1.00 0.00 C ATOM 7631 C6 U B 355 83.895 4.707 -45.485 1.00 0.00 C ATOM 7632 P G B 356 78.408 3.070 -46.210 1.00 0.00 P ATOM 7633 O1P G B 356 77.270 2.161 -46.475 1.00 0.00 O ATOM 7634 O2P G B 356 79.083 3.621 -47.405 1.00 0.00 O ATOM 7635 O5* G B 356 77.932 4.263 -45.256 1.00 0.00 O ATOM 7636 C5* G B 356 77.328 3.947 -43.987 1.00 0.00 C ATOM 7637 C4* G B 356 77.075 5.218 -43.200 1.00 0.00 C ATOM 7638 O4* G B 356 78.357 5.799 -42.820 1.00 0.00 O ATOM 7639 C3* G B 356 76.370 6.344 -43.963 1.00 0.00 C ATOM 7640 O3* G B 356 74.988 6.182 -43.949 1.00 0.00 O ATOM 7641 C2* G B 356 76.827 7.581 -43.196 1.00 0.00 C ATOM 7642 O2* G B 356 76.126 7.701 -41.969 1.00 0.00 O ATOM 7643 C1* G B 356 78.267 7.213 -42.850 1.00 0.00 C ATOM 7644 N9 G B 356 79.267 7.716 -43.831 1.00 0.00 N ATOM 7645 C8 G B 356 79.975 7.020 -44.788 1.00 0.00 C ATOM 7646 N7 G B 356 80.784 7.769 -45.501 1.00 0.00 N ATOM 7647 C5 G B 356 80.599 9.047 -44.981 1.00 0.00 C ATOM 7648 C6 G B 356 81.203 10.277 -45.346 1.00 0.00 C ATOM 7649 O6 G B 356 82.042 10.496 -46.218 1.00 0.00 O ATOM 7650 N1 G B 356 80.728 11.335 -44.558 1.00 0.00 N ATOM 7651 C2 G B 356 79.792 11.219 -43.549 1.00 0.00 C ATOM 7652 N2 G B 356 79.472 12.350 -42.915 1.00 0.00 N ATOM 7653 N3 G B 356 79.226 10.064 -43.207 1.00 0.00 N ATOM 7654 C4 G B 356 79.676 9.025 -43.961 1.00 0.00 C ATOM 7655 P C B 357 74.129 6.663 -45.252 1.00 0.00 P ATOM 7656 O1P C B 357 72.766 6.087 -45.210 1.00 0.00 O ATOM 7657 O2P C B 357 74.906 6.390 -46.482 1.00 0.00 O ATOM 7658 O5* C B 357 74.058 8.242 -45.000 1.00 0.00 O ATOM 7659 C5* C B 357 73.421 8.730 -43.802 1.00 0.00 C ATOM 7660 C4* C B 357 73.578 10.232 -43.705 1.00 0.00 C ATOM 7661 O4* C B 357 74.984 10.547 -43.481 1.00 0.00 O ATOM 7662 C3* C B 357 73.223 11.023 -44.967 1.00 0.00 C ATOM 7663 O3* C B 357 71.855 11.273 -45.043 1.00 0.00 O ATOM 7664 C2* C B 357 74.047 12.294 -44.790 1.00 0.00 C ATOM 7665 O2* C B 357 73.446 13.157 -43.841 1.00 0.00 O ATOM 7666 C1* C B 357 75.321 11.749 -44.153 1.00 0.00 C ATOM 7667 N1 C B 357 76.399 11.441 -45.135 1.00 0.00 N ATOM 7668 C2 C B 357 77.082 12.514 -45.703 1.00 0.00 C ATOM 7669 O2 C B 357 76.772 13.661 -45.374 1.00 0.00 O ATOM 7670 N3 C B 357 78.067 12.252 -46.602 1.00 0.00 N ATOM 7671 C4 C B 357 78.373 10.990 -46.935 1.00 0.00 C ATOM 7672 N4 C B 357 79.342 10.791 -47.814 1.00 0.00 N ATOM 7673 C5 C B 357 77.681 9.876 -46.360 1.00 0.00 C ATOM 7674 C6 C B 357 76.701 10.157 -45.467 1.00 0.00 C ATOM 7675 P U B 358 71.144 11.314 -46.511 1.00 0.00 P ATOM 7676 O1P U B 358 69.672 11.223 -46.371 1.00 0.00 O ATOM 7677 O2P U B 358 71.768 10.298 -47.387 1.00 0.00 O ATOM 7678 O5* U B 358 71.550 12.779 -47.004 1.00 0.00 O ATOM 7679 C5* U B 358 71.119 13.917 -46.236 1.00 0.00 C ATOM 7680 C4* U B 358 71.722 15.187 -46.810 1.00 0.00 C ATOM 7681 O4* U B 358 73.160 15.167 -46.590 1.00 0.00 O ATOM 7682 C3* U B 358 71.580 15.367 -48.322 1.00 0.00 C ATOM 7683 O3* U B 358 70.348 15.920 -48.658 1.00 0.00 O ATOM 7684 C2* U B 358 72.750 16.292 -48.644 1.00 0.00 C ATOM 7685 O2* U B 358 72.459 17.624 -48.258 1.00 0.00 O ATOM 7686 C1* U B 358 73.824 15.777 -47.685 1.00 0.00 C ATOM 7687 N1 U B 358 74.731 14.764 -48.295 1.00 0.00 N ATOM 7688 C2 U B 358 75.671 15.223 -49.186 1.00 0.00 C ATOM 7689 O2 U B 358 75.780 16.400 -49.488 1.00 0.00 O ATOM 7690 N3 U B 358 76.495 14.257 -49.729 1.00 0.00 N ATOM 7691 C4 U B 358 76.458 12.906 -49.462 1.00 0.00 C ATOM 7692 O4 U B 358 77.253 12.137 -50.009 1.00 0.00 O ATOM 7693 C5 U B 358 75.441 12.522 -48.513 1.00 0.00 C ATOM 7694 C6 U B 358 74.624 13.439 -47.972 1.00 0.00 C ATOM 7695 P G B 359 69.642 15.469 -50.060 1.00 0.00 P ATOM 7696 O1P G B 359 68.215 15.864 -50.064 1.00 0.00 O ATOM 7697 O2P G B 359 69.913 14.036 -50.307 1.00 0.00 O ATOM 7698 O5* G B 359 70.453 16.364 -51.106 1.00 0.00 O ATOM 7699 C5* G B 359 70.400 17.798 -50.990 1.00 0.00 C ATOM 7700 C4* G B 359 71.337 18.435 -51.997 1.00 0.00 C ATOM 7701 O4* G B 359 72.711 18.124 -51.633 1.00 0.00 O ATOM 7702 C3* G B 359 71.216 17.922 -53.435 1.00 0.00 C ATOM 7703 O3* G B 359 70.196 18.574 -54.126 1.00 0.00 O ATOM 7704 C2* G B 359 72.602 18.230 -53.999 1.00 0.00 C ATOM 7705 O2* G B 359 72.729 19.613 -54.292 1.00 0.00 O ATOM 7706 C1* G B 359 73.495 17.945 -52.800 1.00 0.00 C ATOM 7707 N9 G B 359 74.046 16.562 -52.778 1.00 0.00 N ATOM 7708 C8 G B 359 73.689 15.494 -51.984 1.00 0.00 C ATOM 7709 N7 G B 359 74.375 14.400 -52.219 1.00 0.00 N ATOM 7710 C5 G B 359 75.248 14.772 -53.242 1.00 0.00 C ATOM 7711 C6 G B 359 76.238 14.012 -53.918 1.00 0.00 C ATOM 7712 O6 G B 359 76.556 12.837 -53.750 1.00 0.00 O ATOM 7713 N1 G B 359 76.896 14.779 -54.888 1.00 0.00 N ATOM 7714 C2 G B 359 76.632 16.105 -55.171 1.00 0.00 C ATOM 7715 N2 G B 359 77.371 16.659 -56.136 1.00 0.00 N ATOM 7716 N3 G B 359 75.702 16.816 -54.538 1.00 0.00 N ATOM 7717 C4 G B 359 75.055 16.088 -53.588 1.00 0.00 C ATOM 7718 P U B 360 68.939 17.282 -54.544 1.00 0.00 P ATOM 7719 O1P U B 360 68.948 16.138 -53.603 1.00 0.00 O ATOM 7720 O2P U B 360 69.111 16.942 -55.973 1.00 0.00 O ATOM 7721 O5* U B 360 67.467 18.319 -54.224 1.00 0.00 O ATOM 7722 C5* U B 360 66.082 18.215 -53.790 1.00 0.00 C ATOM 7723 C4* U B 360 65.359 16.794 -54.153 1.00 0.00 C ATOM 7724 O4* U B 360 66.281 15.739 -54.547 1.00 0.00 O ATOM 7725 C3* U B 360 64.317 16.066 -53.297 1.00 0.00 C ATOM 7726 O3* U B 360 63.053 16.882 -52.970 1.00 0.00 O ATOM 7727 C2* U B 360 64.208 14.717 -54.004 1.00 0.00 C ATOM 7728 O2* U B 360 63.444 14.830 -55.188 1.00 0.00 O ATOM 7729 C1* U B 360 65.652 14.472 -54.426 1.00 0.00 C ATOM 7730 N1 U B 360 66.556 13.527 -53.342 1.00 0.00 N ATOM 7731 C2 U B 360 65.853 12.761 -52.444 1.00 0.00 C ATOM 7732 O2 U B 360 64.633 12.789 -52.363 1.00 0.00 O ATOM 7733 N3 U B 360 66.616 11.951 -51.629 1.00 0.00 N ATOM 7734 C4 U B 360 67.990 11.848 -51.633 1.00 0.00 C ATOM 7735 O4 U B 360 68.568 11.085 -50.848 1.00 0.00 O ATOM 7736 C5 U B 360 68.644 12.691 -52.608 1.00 0.00 C ATOM 7737 C6 U B 360 67.922 13.487 -53.418 1.00 0.00 C ATOM 7738 P G B 361 61.415 16.572 -53.754 1.00 0.00 P ATOM 7739 O1P G B 361 60.466 17.665 -53.446 1.00 0.00 O ATOM 7740 O2P G B 361 60.941 15.204 -53.442 1.00 0.00 O ATOM 7741 O5* G B 361 62.031 16.802 -55.463 1.00 0.00 O ATOM 7742 C5* G B 361 62.395 17.118 -56.832 1.00 0.00 C ATOM 7743 C4* G B 361 61.881 18.553 -57.386 1.00 0.00 C ATOM 7744 O4* G B 361 61.461 19.349 -56.241 1.00 0.00 O ATOM 7745 C3* G B 361 62.650 19.545 -58.259 1.00 0.00 C ATOM 7746 O3* G B 361 63.528 19.306 -59.516 1.00 0.00 O ATOM 7747 C2* G B 361 61.866 20.839 -58.049 1.00 0.00 C ATOM 7748 O2* G B 361 60.658 20.820 -58.786 1.00 0.00 O ATOM 7749 C1* G B 361 61.485 20.726 -56.576 1.00 0.00 C ATOM 7750 N9 G B 361 62.549 21.522 -55.502 1.00 0.00 N ATOM 7751 C8 G B 361 63.355 22.619 -55.728 1.00 0.00 C ATOM 7752 N7 G B 361 64.142 22.917 -54.723 1.00 0.00 N ATOM 7753 C5 G B 361 63.836 21.949 -53.765 1.00 0.00 C ATOM 7754 C6 G B 361 64.361 21.758 -52.461 1.00 0.00 C ATOM 7755 O6 G B 361 65.222 22.408 -51.874 1.00 0.00 O ATOM 7756 N1 G B 361 63.772 20.655 -51.826 1.00 0.00 N ATOM 7757 C2 G B 361 62.797 19.849 -52.378 1.00 0.00 C ATOM 7758 N2 G B 361 62.359 18.847 -51.609 1.00 0.00 N ATOM 7759 N3 G B 361 62.297 20.028 -53.599 1.00 0.00 N ATOM 7760 C4 G B 361 62.867 21.096 -54.228 1.00 0.00 C ATOM 7761 P A B 362 64.564 20.735 -60.105 1.00 0.00 P ATOM 7762 O1P A B 362 65.037 21.502 -58.929 1.00 0.00 O ATOM 7763 O2P A B 362 63.916 21.526 -61.171 1.00 0.00 O ATOM 7764 O5* A B 362 65.912 19.739 -60.866 1.00 0.00 O ATOM 7765 C5* A B 362 67.051 19.021 -61.423 1.00 0.00 C ATOM 7766 C4* A B 362 67.529 19.318 -62.964 1.00 0.00 C ATOM 7767 O4* A B 362 66.546 19.563 -64.014 1.00 0.00 O ATOM 7768 C3* A B 362 68.635 20.336 -63.258 1.00 0.00 C ATOM 7769 O3* A B 362 69.988 20.181 -62.633 1.00 0.00 O ATOM 7770 C2* A B 362 68.649 20.367 -64.787 1.00 0.00 C ATOM 7771 O2* A B 362 69.289 19.215 -65.313 1.00 0.00 O ATOM 7772 C1* A B 362 67.160 20.230 -65.107 1.00 0.00 C ATOM 7773 N9 A B 362 66.358 21.692 -65.354 1.00 0.00 N ATOM 7774 C8 A B 362 65.130 21.904 -65.934 1.00 0.00 C ATOM 7775 N7 A B 362 64.835 23.154 -66.102 1.00 0.00 N ATOM 7776 C5 A B 362 65.944 23.828 -65.611 1.00 0.00 C ATOM 7777 C6 A B 362 66.253 25.195 -65.501 1.00 0.00 C ATOM 7778 N6 A B 362 65.432 26.176 -65.912 1.00 0.00 N ATOM 7779 N1 A B 362 67.442 25.520 -64.962 1.00 0.00 N ATOM 7780 C2 A B 362 68.249 24.546 -64.551 1.00 0.00 C ATOM 7781 N3 A B 362 68.072 23.243 -64.606 1.00 0.00 N ATOM 7782 C4 A B 362 66.877 22.942 -65.151 1.00 0.00 C ATOM 7783 P G B 363 70.922 18.604 -62.401 1.00 0.00 P ATOM 7784 O1P G B 363 70.371 17.245 -62.193 1.00 0.00 O ATOM 7785 O2P G B 363 71.723 19.154 -61.287 1.00 0.00 O ATOM 7786 O5* G B 363 71.776 18.638 -63.755 1.00 0.00 O ATOM 7787 C5* G B 363 73.152 18.214 -63.726 1.00 0.00 C ATOM 7788 C4* G B 363 73.722 18.210 -65.130 1.00 0.00 C ATOM 7789 O4* G B 363 73.072 17.160 -65.900 1.00 0.00 O ATOM 7790 C3* G B 363 73.479 19.476 -65.953 1.00 0.00 C ATOM 7791 O3* G B 363 74.433 20.454 -65.677 1.00 0.00 O ATOM 7792 C2* G B 363 73.568 18.949 -67.381 1.00 0.00 C ATOM 7793 O2* G B 363 74.919 18.727 -67.753 1.00 0.00 O ATOM 7794 C1* G B 363 72.915 17.577 -67.246 1.00 0.00 C ATOM 7795 N9 G B 363 71.461 17.573 -67.561 1.00 0.00 N ATOM 7796 C8 G B 363 70.383 17.487 -66.707 1.00 0.00 C ATOM 7797 N7 G B 363 69.218 17.513 -67.311 1.00 0.00 N ATOM 7798 C5 G B 363 69.547 17.625 -68.662 1.00 0.00 C ATOM 7799 C6 G B 363 68.710 17.701 -69.803 1.00 0.00 C ATOM 7800 O6 G B 363 67.482 17.679 -69.861 1.00 0.00 O ATOM 7801 N1 G B 363 69.460 17.805 -70.983 1.00 0.00 N ATOM 7802 C2 G B 363 70.837 17.839 -71.051 1.00 0.00 C ATOM 7803 N2 G B 363 71.364 17.945 -72.273 1.00 0.00 N ATOM 7804 N3 G B 363 71.624 17.771 -69.980 1.00 0.00 N ATOM 7805 C4 G B 363 70.912 17.664 -68.824 1.00 0.00 C ATOM 7806 P C B 364 73.983 22.024 -65.726 1.00 0.00 P ATOM 7807 O1P C B 364 75.001 22.868 -65.065 1.00 0.00 O ATOM 7808 O2P C B 364 72.603 22.156 -65.212 1.00 0.00 O ATOM 7809 O5* C B 364 74.001 22.291 -67.306 1.00 0.00 O ATOM 7810 C5* C B 364 75.236 22.128 -68.027 1.00 0.00 C ATOM 7811 C4* C B 364 74.996 22.306 -69.512 1.00 0.00 C ATOM 7812 O4* C B 364 74.182 21.200 -69.995 1.00 0.00 O ATOM 7813 C3* C B 364 74.202 23.550 -69.914 1.00 0.00 C ATOM 7814 O3* C B 364 75.022 24.671 -70.016 1.00 0.00 O ATOM 7815 C2* C B 364 73.607 23.130 -71.255 1.00 0.00 C ATOM 7816 O2* C B 364 74.588 23.184 -72.278 1.00 0.00 O ATOM 7817 C1* C B 364 73.301 21.659 -71.008 1.00 0.00 C ATOM 7818 N1 C B 364 71.905 21.404 -70.554 1.00 0.00 N ATOM 7819 C2 C B 364 70.886 21.506 -71.497 1.00 0.00 C ATOM 7820 O2 C B 364 71.178 21.801 -72.662 1.00 0.00 O ATOM 7821 N3 C B 364 69.607 21.281 -71.101 1.00 0.00 N ATOM 7822 C4 C B 364 69.331 20.964 -69.830 1.00 0.00 C ATOM 7823 N4 C B 364 68.069 20.752 -69.495 1.00 0.00 N ATOM 7824 C5 C B 364 70.366 20.850 -68.844 1.00 0.00 C ATOM 7825 C6 C B 364 71.637 21.083 -69.261 1.00 0.00 C ATOM 7826 P U B 365 74.414 26.132 -69.609 1.00 0.00 P ATOM 7827 O1P U B 365 75.509 27.108 -69.428 1.00 0.00 O ATOM 7828 O2P U B 365 73.491 25.975 -68.460 1.00 0.00 O ATOM 7829 O5* U B 365 73.580 26.485 -70.928 1.00 0.00 O ATOM 7830 C5* U B 365 74.273 26.592 -72.184 1.00 0.00 C ATOM 7831 C4* U B 365 73.280 26.808 -73.308 1.00 0.00 C ATOM 7832 O4* U B 365 72.487 25.600 -73.475 1.00 0.00 O ATOM 7833 C3* U B 365 72.240 27.905 -73.076 1.00 0.00 C ATOM 7834 O3* U B 365 72.739 29.160 -73.415 1.00 0.00 O ATOM 7835 C2* U B 365 71.099 27.460 -73.988 1.00 0.00 C ATOM 7836 O2* U B 365 71.395 27.748 -75.343 1.00 0.00 O ATOM 7837 C1* U B 365 71.157 25.942 -73.835 1.00 0.00 C ATOM 7838 N1 U B 365 70.245 25.411 -72.785 1.00 0.00 N ATOM 7839 C2 U B 365 68.902 25.386 -73.078 1.00 0.00 C ATOM 7840 O2 U B 365 68.446 25.775 -74.142 1.00 0.00 O ATOM 7841 N3 U B 365 68.086 24.885 -72.081 1.00 0.00 N ATOM 7842 C4 U B 365 68.491 24.424 -70.847 1.00 0.00 C ATOM 7843 O4 U B 365 67.666 23.998 -70.033 1.00 0.00 O ATOM 7844 C5 U B 365 69.917 24.492 -70.630 1.00 0.00 C ATOM 7845 C6 U B 365 70.735 24.971 -71.584 1.00 0.00 C ATOM 7846 P C B 366 72.244 30.456 -72.555 1.00 0.00 P ATOM 7847 O1P C B 366 73.136 31.612 -72.807 1.00 0.00 O ATOM 7848 O2P C B 366 72.076 30.074 -71.134 1.00 0.00 O ATOM 7849 O5* C B 366 70.811 30.726 -73.216 1.00 0.00 O ATOM 7850 C5* C B 366 70.736 31.033 -74.621 1.00 0.00 C ATOM 7851 C4* C B 366 69.288 31.124 -75.055 1.00 0.00 C ATOM 7852 O4* C B 366 68.686 29.801 -74.970 1.00 0.00 O ATOM 7853 C3* C B 366 68.386 31.995 -74.178 1.00 0.00 C ATOM 7854 O3* C B 366 68.468 33.341 -74.536 1.00 0.00 O ATOM 7855 C2* C B 366 67.006 31.399 -74.450 1.00 0.00 C ATOM 7856 O2* C B 366 66.519 31.815 -75.714 1.00 0.00 O ATOM 7857 C1* C B 366 67.330 29.914 -74.567 1.00 0.00 C ATOM 7858 N1 C B 366 67.168 29.164 -73.289 1.00 0.00 N ATOM 7859 C2 C B 366 65.873 28.897 -72.854 1.00 0.00 C ATOM 7860 O2 C B 366 64.921 29.287 -73.541 1.00 0.00 O ATOM 7861 N3 C B 366 65.702 28.214 -71.691 1.00 0.00 N ATOM 7862 C4 C B 366 66.759 27.809 -70.980 1.00 0.00 C ATOM 7863 N4 C B 366 66.540 27.147 -69.852 1.00 0.00 N ATOM 7864 C5 C B 366 68.100 28.073 -71.409 1.00 0.00 C ATOM 7865 C6 C B 366 68.249 28.756 -72.571 1.00 0.00 C ATOM 7866 P G B 367 69.637 34.070 -75.752 1.00 0.00 P ATOM 7867 O1P G B 367 69.495 35.542 -75.774 1.00 0.00 O ATOM 7868 O2P G B 367 69.550 33.397 -77.066 1.00 0.00 O ATOM 7869 O5* G B 367 71.116 33.606 -74.797 1.00 0.00 O ATOM 7870 C5* G B 367 72.547 33.548 -74.705 1.00 0.00 C ATOM 7871 C4* G B 367 73.235 34.479 -73.543 1.00 0.00 C ATOM 7872 O4* G B 367 73.757 35.812 -73.804 1.00 0.00 O ATOM 7873 C3* G B 367 73.942 34.057 -72.257 1.00 0.00 C ATOM 7874 O3* G B 367 73.296 33.471 -70.940 1.00 0.00 O ATOM 7875 C2* G B 367 75.331 34.674 -72.438 1.00 0.00 C ATOM 7876 O2* G B 367 76.099 33.917 -73.353 1.00 0.00 O ATOM 7877 C1* G B 367 74.985 35.991 -73.130 1.00 0.00 C ATOM 7878 N9 G B 367 74.830 37.339 -72.070 1.00 0.00 N ATOM 7879 C8 G B 367 74.078 38.483 -72.222 1.00 0.00 C ATOM 7880 N7 G B 367 74.104 39.280 -71.180 1.00 0.00 N ATOM 7881 C5 G B 367 74.936 38.619 -70.272 1.00 0.00 C ATOM 7882 C6 G B 367 75.351 38.992 -68.971 1.00 0.00 C ATOM 7883 O6 G B 367 75.060 39.996 -68.331 1.00 0.00 O ATOM 7884 N1 G B 367 76.197 38.028 -68.405 1.00 0.00 N ATOM 7885 C2 G B 367 76.596 36.858 -69.024 1.00 0.00 C ATOM 7886 N2 G B 367 77.410 36.074 -68.318 1.00 0.00 N ATOM 7887 N3 G B 367 76.208 36.506 -70.250 1.00 0.00 N ATOM 7888 C4 G B 367 75.382 37.434 -70.810 1.00 0.00 C ATOM 7889 P A B 368 74.198 33.680 -69.319 1.00 0.00 P ATOM 7890 O1P A B 368 73.995 35.050 -68.793 1.00 0.00 O ATOM 7891 O2P A B 368 75.604 33.275 -69.528 1.00 0.00 O ATOM 7892 O5* A B 368 73.360 32.587 -68.064 1.00 0.00 O ATOM 7893 C5* A B 368 73.869 31.799 -66.901 1.00 0.00 C ATOM 7894 C4* A B 368 74.636 30.413 -67.542 1.00 0.00 C ATOM 7895 O4* A B 368 74.883 30.896 -68.892 1.00 0.00 O ATOM 7896 C3* A B 368 74.274 28.939 -67.734 1.00 0.00 C ATOM 7897 O3* A B 368 73.513 28.096 -66.470 1.00 0.00 O ATOM 7898 C2* A B 368 73.491 28.970 -69.045 1.00 0.00 C ATOM 7899 O2* A B 368 72.180 29.475 -68.836 1.00 0.00 O ATOM 7900 C1* A B 368 74.254 30.037 -69.834 1.00 0.00 C ATOM 7901 N9 A B 368 75.472 29.415 -70.908 1.00 0.00 N ATOM 7902 C8 A B 368 75.905 28.113 -71.048 1.00 0.00 C ATOM 7903 N7 A B 368 76.666 27.913 -72.077 1.00 0.00 N ATOM 7904 C5 A B 368 76.754 29.163 -72.673 1.00 0.00 C ATOM 7905 C6 A B 368 77.420 29.619 -73.821 1.00 0.00 C ATOM 7906 N6 A B 368 78.166 28.829 -74.604 1.00 0.00 N ATOM 7907 N1 A B 368 77.297 30.925 -74.127 1.00 0.00 N ATOM 7908 C2 A B 368 76.551 31.702 -73.348 1.00 0.00 C ATOM 7909 N3 A B 368 75.887 31.391 -72.258 1.00 0.00 N ATOM 7910 C4 A B 368 76.027 30.080 -71.966 1.00 0.00 C ATOM 7911 P U B 369 74.013 26.519 -65.433 1.00 0.00 P ATOM 7912 O1P U B 369 75.262 26.922 -64.759 1.00 0.00 O ATOM 7913 O2P U B 369 74.113 25.363 -66.348 1.00 0.00 O ATOM 7914 O5* U B 369 72.829 25.791 -64.050 1.00 0.00 O ATOM 7915 C5* U B 369 72.736 24.590 -63.003 1.00 0.00 C ATOM 7916 C4* U B 369 71.823 24.199 -61.547 1.00 0.00 C ATOM 7917 O4* U B 369 70.703 25.070 -61.210 1.00 0.00 O ATOM 7918 C3* U B 369 72.299 23.671 -60.198 1.00 0.00 C ATOM 7919 O3* U B 369 72.108 22.326 -59.353 1.00 0.00 O ATOM 7920 C2* U B 369 72.087 24.882 -59.288 1.00 0.00 C ATOM 7921 O2* U B 369 73.106 25.848 -59.496 1.00 0.00 O ATOM 7922 C1* U B 369 70.796 25.469 -59.853 1.00 0.00 C ATOM 7923 N1 U B 369 69.360 24.966 -59.039 1.00 0.00 N ATOM 7924 C2 U B 369 68.921 25.752 -58.002 1.00 0.00 C ATOM 7925 O2 U B 369 69.515 26.747 -57.629 1.00 0.00 O ATOM 7926 N3 U B 369 67.747 25.342 -57.397 1.00 0.00 N ATOM 7927 C4 U B 369 66.999 24.234 -57.736 1.00 0.00 C ATOM 7928 O4 U B 369 65.965 23.961 -57.127 1.00 0.00 O ATOM 7929 C5 U B 369 67.536 23.469 -58.840 1.00 0.00 C ATOM 7930 C6 U B 369 68.677 23.850 -59.440 1.00 0.00 C ATOM 7931 P G B 370 73.393 22.112 -57.988 1.00 0.00 P ATOM 7932 O1P G B 370 74.139 23.385 -57.865 1.00 0.00 O ATOM 7933 O2P G B 370 74.195 20.928 -58.370 1.00 0.00 O ATOM 7934 O5* G B 370 72.730 21.662 -56.297 1.00 0.00 O ATOM 7935 C5* G B 370 73.131 21.906 -54.899 1.00 0.00 C ATOM 7936 C4* G B 370 74.521 21.314 -54.257 1.00 0.00 C ATOM 7937 O4* G B 370 75.739 21.707 -54.947 1.00 0.00 O ATOM 7938 C3* G B 370 74.890 21.421 -52.776 1.00 0.00 C ATOM 7939 O3* G B 370 74.082 20.644 -51.715 1.00 0.00 O ATOM 7940 C2* G B 370 76.346 20.965 -52.772 1.00 0.00 C ATOM 7941 O2* G B 370 76.435 19.556 -52.901 1.00 0.00 O ATOM 7942 C1* G B 370 76.859 21.559 -54.084 1.00 0.00 C ATOM 7943 N9 G B 370 77.626 23.089 -53.926 1.00 0.00 N ATOM 7944 C8 G B 370 77.067 24.349 -53.933 1.00 0.00 C ATOM 7945 N7 G B 370 77.942 25.320 -53.868 1.00 0.00 N ATOM 7946 C5 G B 370 79.169 24.663 -53.810 1.00 0.00 C ATOM 7947 C6 G B 370 80.487 25.183 -53.721 1.00 0.00 C ATOM 7948 O6 G B 370 80.849 26.356 -53.680 1.00 0.00 O ATOM 7949 N1 G B 370 81.440 24.158 -53.682 1.00 0.00 N ATOM 7950 C2 G B 370 81.159 22.806 -53.725 1.00 0.00 C ATOM 7951 N2 G B 370 82.212 21.989 -53.680 1.00 0.00 N ATOM 7952 N3 G B 370 79.926 22.315 -53.806 1.00 0.00 N ATOM 7953 C4 G B 370 78.986 23.298 -53.842 1.00 0.00 C ATOM 7954 P A B 371 72.853 21.417 -50.586 1.00 0.00 P ATOM 7955 O1P A B 371 72.025 20.330 -50.020 1.00 0.00 O ATOM 7956 O2P A B 371 72.109 22.554 -51.175 1.00 0.00 O ATOM 7957 O5* A B 371 74.054 22.071 -49.374 1.00 0.00 O ATOM 7958 C5* A B 371 73.967 23.325 -48.648 1.00 0.00 C ATOM 7959 C4* A B 371 75.388 23.711 -47.956 1.00 0.00 C ATOM 7960 O4* A B 371 75.465 23.553 -46.512 1.00 0.00 O ATOM 7961 C3* A B 371 76.632 22.994 -48.479 1.00 0.00 C ATOM 7962 O3* A B 371 76.646 21.851 -49.500 1.00 0.00 O ATOM 7963 C2* A B 371 77.662 23.315 -47.389 1.00 0.00 C ATOM 7964 O2* A B 371 78.129 24.650 -47.519 1.00 0.00 O ATOM 7965 C1* A B 371 76.804 23.269 -46.129 1.00 0.00 C ATOM 7966 N9 A B 371 76.821 21.794 -45.321 1.00 0.00 N ATOM 7967 C8 A B 371 75.777 20.919 -45.113 1.00 0.00 C ATOM 7968 N7 A B 371 76.136 19.780 -44.615 1.00 0.00 N ATOM 7969 C5 A B 371 77.512 19.891 -44.473 1.00 0.00 C ATOM 7970 C6 A B 371 78.495 19.008 -43.996 1.00 0.00 C ATOM 7971 N6 A B 371 78.222 17.774 -43.543 1.00 0.00 N ATOM 7972 N1 A B 371 79.767 19.434 -44.000 1.00 0.00 N ATOM 7973 C2 A B 371 80.033 20.664 -44.451 1.00 0.00 C ATOM 7974 N3 A B 371 79.207 21.571 -44.920 1.00 0.00 N ATOM 7975 C4 A B 371 77.936 21.112 -44.910 1.00 0.00 C ATOM 7976 P G B 372 78.332 21.309 -49.922 1.00 0.00 P ATOM 7977 O1P G B 372 78.367 20.354 -51.052 1.00 0.00 O ATOM 7978 O2P G B 372 79.083 20.899 -48.712 1.00 0.00 O ATOM 7979 O5* G B 372 78.713 23.009 -50.432 1.00 0.00 O ATOM 7980 C5* G B 372 79.132 24.369 -50.209 1.00 0.00 C ATOM 7981 C4* G B 372 80.684 24.448 -49.692 1.00 0.00 C ATOM 7982 O4* G B 372 81.541 23.274 -49.700 1.00 0.00 O ATOM 7983 C3* G B 372 81.311 25.356 -48.628 1.00 0.00 C ATOM 7984 O3* G B 372 80.473 26.520 -48.122 1.00 0.00 O ATOM 7985 C2* G B 372 81.789 24.344 -47.590 1.00 0.00 C ATOM 7986 O2* G B 372 80.704 23.859 -46.821 1.00 0.00 O ATOM 7987 C1* G B 372 82.261 23.194 -48.477 1.00 0.00 C ATOM 7988 N9 G B 372 83.956 23.209 -48.839 1.00 0.00 N ATOM 7989 C8 G B 372 85.022 22.867 -48.032 1.00 0.00 C ATOM 7990 N7 G B 372 86.179 22.883 -48.644 1.00 0.00 N ATOM 7991 C5 G B 372 85.860 23.258 -49.948 1.00 0.00 C ATOM 7992 C6 G B 372 86.702 23.446 -51.077 1.00 0.00 C ATOM 7993 O6 G B 372 87.918 23.313 -51.161 1.00 0.00 O ATOM 7994 N1 G B 372 85.961 23.829 -52.208 1.00 0.00 N ATOM 7995 C2 G B 372 84.593 24.008 -52.239 1.00 0.00 C ATOM 7996 N2 G B 372 84.077 24.375 -53.417 1.00 0.00 N ATOM 7997 N3 G B 372 83.805 23.832 -51.178 1.00 0.00 N ATOM 7998 C4 G B 372 84.507 23.461 -50.075 1.00 0.00 C ATOM 7999 P U B 373 81.339 27.804 -47.131 1.00 0.00 P ATOM 8000 O1P U B 373 80.380 28.365 -46.155 1.00 0.00 O ATOM 8001 O2P U B 373 82.039 28.790 -47.984 1.00 0.00 O ATOM 8002 O5* U B 373 82.570 26.703 -46.330 1.00 0.00 O ATOM 8003 C5* U B 373 83.916 26.957 -45.829 1.00 0.00 C ATOM 8004 C4* U B 373 84.559 25.821 -44.863 1.00 0.00 C ATOM 8005 O4* U B 373 84.814 24.496 -45.420 1.00 0.00 O ATOM 8006 C3* U B 373 85.653 25.999 -43.817 1.00 0.00 C ATOM 8007 O3* U B 373 87.034 26.823 -43.955 1.00 0.00 O ATOM 8008 C2* U B 373 85.796 24.590 -43.256 1.00 0.00 C ATOM 8009 O2* U B 373 84.725 24.285 -42.376 1.00 0.00 O ATOM 8010 C1* U B 373 85.592 23.740 -44.510 1.00 0.00 C ATOM 8011 N1 U B 373 87.023 23.279 -45.289 1.00 0.00 N ATOM 8012 C2 U B 373 87.885 22.466 -44.589 1.00 0.00 C ATOM 8013 O2 U B 373 87.664 22.093 -43.452 1.00 0.00 O ATOM 8014 N3 U B 373 89.035 22.102 -45.261 1.00 0.00 N ATOM 8015 C4 U B 373 89.385 22.464 -46.545 1.00 0.00 C ATOM 8016 O4 U B 373 90.436 22.075 -47.046 1.00 0.00 O ATOM 8017 C5 U B 373 88.419 23.317 -47.201 1.00 0.00 C ATOM 8018 C6 U B 373 87.293 23.691 -46.570 1.00 0.00 C ATOM 8019 P A B 374 88.294 26.344 -42.648 1.00 0.00 P ATOM 8020 O1P A B 374 88.675 24.907 -42.715 1.00 0.00 O ATOM 8021 O2P A B 374 87.661 26.780 -41.393 1.00 0.00 O ATOM 8022 O5* A B 374 89.840 27.339 -42.962 1.00 0.00 O ATOM 8023 C5* A B 374 91.199 27.197 -42.344 1.00 0.00 C ATOM 8024 C4* A B 374 92.222 28.487 -42.362 1.00 0.00 C ATOM 8025 O4* A B 374 91.541 29.696 -42.809 1.00 0.00 O ATOM 8026 C3* A B 374 93.284 28.999 -41.386 1.00 0.00 C ATOM 8027 O3* A B 374 94.623 28.215 -41.090 1.00 0.00 O ATOM 8028 C2* A B 374 93.700 30.315 -42.031 1.00 0.00 C ATOM 8029 O2* A B 374 94.548 30.090 -43.142 1.00 0.00 O ATOM 8030 C1* A B 374 92.371 30.825 -42.582 1.00 0.00 C ATOM 8031 N9 A B 374 91.552 31.891 -41.566 1.00 0.00 N ATOM 8032 C8 A B 374 92.078 32.782 -40.655 1.00 0.00 C ATOM 8033 N7 A B 374 91.183 33.382 -39.934 1.00 0.00 N ATOM 8034 C5 A B 374 89.981 32.862 -40.387 1.00 0.00 C ATOM 8035 C6 A B 374 88.647 33.100 -40.017 1.00 0.00 C ATOM 8036 N6 A B 374 88.291 33.963 -39.055 1.00 0.00 N ATOM 8037 N1 A B 374 87.692 32.412 -40.670 1.00 0.00 N ATOM 8038 C2 A B 374 88.050 31.554 -41.626 1.00 0.00 C ATOM 8039 N3 A B 374 89.257 31.252 -42.053 1.00 0.00 N ATOM 8040 C4 A B 374 90.198 31.953 -41.385 1.00 0.00 C ATOM 8041 P G B 375 95.218 27.611 -39.458 1.00 0.00 P ATOM 8042 O1P G B 375 95.212 28.530 -38.298 1.00 0.00 O ATOM 8043 O2P G B 375 96.441 26.794 -39.627 1.00 0.00 O ATOM 8044 O5* G B 375 93.934 26.660 -39.399 1.00 0.00 O ATOM 8045 C5* G B 375 93.433 26.081 -40.619 1.00 0.00 C ATOM 8046 C4* G B 375 92.299 25.124 -40.313 1.00 0.00 C ATOM 8047 O4* G B 375 92.835 23.971 -39.601 1.00 0.00 O ATOM 8048 C3* G B 375 91.209 25.656 -39.385 1.00 0.00 C ATOM 8049 O3* G B 375 90.258 26.395 -40.084 1.00 0.00 O ATOM 8050 C2* G B 375 90.637 24.370 -38.791 1.00 0.00 C ATOM 8051 O2* G B 375 89.798 23.714 -39.728 1.00 0.00 O ATOM 8052 C1* G B 375 91.891 23.515 -38.645 1.00 0.00 C ATOM 8053 N9 G B 375 92.521 23.605 -37.297 1.00 0.00 N ATOM 8054 C8 G B 375 93.672 24.257 -36.916 1.00 0.00 C ATOM 8055 N7 G B 375 93.954 24.140 -35.641 1.00 0.00 N ATOM 8056 C5 G B 375 92.917 23.351 -35.141 1.00 0.00 C ATOM 8057 C6 G B 375 92.678 22.886 -33.825 1.00 0.00 C ATOM 8058 O6 G B 375 93.341 23.073 -32.808 1.00 0.00 O ATOM 8059 N1 G B 375 91.510 22.115 -33.760 1.00 0.00 N ATOM 8060 C2 G B 375 90.682 21.831 -34.829 1.00 0.00 C ATOM 8061 N2 G B 375 89.613 21.077 -34.561 1.00 0.00 N ATOM 8062 N3 G B 375 90.909 22.270 -36.066 1.00 0.00 N ATOM 8063 C4 G B 375 92.039 23.020 -36.146 1.00 0.00 C ATOM 8064 P G B 376 89.550 27.669 -39.344 1.00 0.00 P ATOM 8065 O1P G B 376 88.869 28.525 -40.339 1.00 0.00 O ATOM 8066 O2P G B 376 90.544 28.346 -38.483 1.00 0.00 O ATOM 8067 O5* G B 376 88.463 26.921 -38.437 1.00 0.00 O ATOM 8068 C5* G B 376 87.452 26.122 -39.074 1.00 0.00 C ATOM 8069 C4* G B 376 86.614 25.415 -38.028 1.00 0.00 C ATOM 8070 O4* G B 376 87.442 24.422 -37.355 1.00 0.00 O ATOM 8071 C3* G B 376 86.091 26.292 -36.891 1.00 0.00 C ATOM 8072 O3* G B 376 84.910 26.939 -37.246 1.00 0.00 O ATOM 8073 C2* G B 376 85.887 25.274 -35.771 1.00 0.00 C ATOM 8074 O2* G B 376 84.714 24.510 -35.991 1.00 0.00 O ATOM 8075 C1* G B 376 87.074 24.339 -35.987 1.00 0.00 C ATOM 8076 N9 G B 376 88.268 24.686 -35.166 1.00 0.00 N ATOM 8077 C8 G B 376 89.453 25.271 -35.557 1.00 0.00 C ATOM 8078 N7 G B 376 90.310 25.446 -34.582 1.00 0.00 N ATOM 8079 C5 G B 376 89.647 24.938 -33.464 1.00 0.00 C ATOM 8080 C6 G B 376 90.068 24.849 -32.114 1.00 0.00 C ATOM 8081 O6 G B 376 91.133 25.206 -31.614 1.00 0.00 O ATOM 8082 N1 G B 376 89.084 24.263 -31.307 1.00 0.00 N ATOM 8083 C2 G B 376 87.851 23.826 -31.746 1.00 0.00 C ATOM 8084 N2 G B 376 87.050 23.298 -30.817 1.00 0.00 N ATOM 8085 N3 G B 376 87.454 23.909 -33.014 1.00 0.00 N ATOM 8086 C4 G B 376 88.401 24.473 -33.812 1.00 0.00 C ATOM 8087 P G B 377 84.623 28.431 -36.653 1.00 0.00 P ATOM 8088 O1P G B 377 83.535 29.088 -37.415 1.00 0.00 O ATOM 8089 O2P G B 377 85.898 29.183 -36.571 1.00 0.00 O ATOM 8090 O5* G B 377 84.110 28.077 -35.180 1.00 0.00 O ATOM 8091 C5* G B 377 82.929 27.267 -35.027 1.00 0.00 C ATOM 8092 C4* G B 377 82.699 26.951 -33.563 1.00 0.00 C ATOM 8093 O4* G B 377 83.762 26.068 -33.102 1.00 0.00 O ATOM 8094 C3* G B 377 82.768 28.142 -32.606 1.00 0.00 C ATOM 8095 O3* G B 377 81.551 28.818 -32.542 1.00 0.00 O ATOM 8096 C2* G B 377 83.138 27.470 -31.288 1.00 0.00 C ATOM 8097 O2* G B 377 82.012 26.822 -30.718 1.00 0.00 O ATOM 8098 C1* G B 377 84.091 26.375 -31.756 1.00 0.00 C ATOM 8099 N9 G B 377 85.527 26.772 -31.711 1.00 0.00 N ATOM 8100 C8 G B 377 86.372 27.094 -32.748 1.00 0.00 C ATOM 8101 N7 G B 377 87.589 27.402 -32.371 1.00 0.00 N ATOM 8102 C5 G B 377 87.546 27.274 -30.982 1.00 0.00 C ATOM 8103 C6 G B 377 88.561 27.477 -30.014 1.00 0.00 C ATOM 8104 O6 G B 377 89.730 27.817 -30.182 1.00 0.00 O ATOM 8105 N1 G B 377 88.088 27.237 -28.716 1.00 0.00 N ATOM 8106 C2 G B 377 86.800 26.853 -28.396 1.00 0.00 C ATOM 8107 N2 G B 377 86.546 26.674 -27.099 1.00 0.00 N ATOM 8108 N3 G B 377 85.847 26.661 -29.306 1.00 0.00 N ATOM 8109 C4 G B 377 86.290 26.891 -30.571 1.00 0.00 C ATOM 8110 P C B 378 81.560 30.435 -32.324 1.00 0.00 P ATOM 8111 O1P C B 378 80.231 31.003 -32.648 1.00 0.00 O ATOM 8112 O2P C B 378 82.706 31.022 -33.051 1.00 0.00 O ATOM 8113 O5* C B 378 81.816 30.524 -30.748 1.00 0.00 O ATOM 8114 C5* C B 378 80.861 29.928 -29.851 1.00 0.00 C ATOM 8115 C4* C B 378 81.363 30.018 -28.424 1.00 0.00 C ATOM 8116 O4* C B 378 82.528 29.161 -28.278 1.00 0.00 O ATOM 8117 C3* C B 378 81.861 31.395 -27.979 1.00 0.00 C ATOM 8118 O3* C B 378 80.811 32.204 -27.553 1.00 0.00 O ATOM 8119 C2* C B 378 82.824 31.037 -26.851 1.00 0.00 C ATOM 8120 O2* C B 378 82.115 30.691 -25.674 1.00 0.00 O ATOM 8121 C1* C B 378 83.453 29.753 -27.382 1.00 0.00 C ATOM 8122 N1 C B 378 84.733 29.971 -28.117 1.00 0.00 N ATOM 8123 C2 C B 378 85.867 30.276 -27.367 1.00 0.00 C ATOM 8124 O2 C B 378 85.767 30.351 -26.138 1.00 0.00 O ATOM 8125 N3 C B 378 87.042 30.482 -28.019 1.00 0.00 N ATOM 8126 C4 C B 378 87.104 30.389 -29.355 1.00 0.00 C ATOM 8127 N4 C B 378 88.275 30.595 -29.940 1.00 0.00 N ATOM 8128 C5 C B 378 85.951 30.076 -30.139 1.00 0.00 C ATOM 8129 C6 C B 378 84.787 29.876 -29.472 1.00 0.00 C ATOM 8130 P G B 379 80.902 33.812 -27.823 1.00 0.00 P ATOM 8131 O1P G B 379 79.569 34.439 -27.642 1.00 0.00 O ATOM 8132 O2P G B 379 81.553 34.056 -29.128 1.00 0.00 O ATOM 8133 O5* G B 379 81.873 34.262 -26.636 1.00 0.00 O ATOM 8134 C5* G B 379 81.470 34.030 -25.273 1.00 0.00 C ATOM 8135 C4* G B 379 82.588 34.417 -24.328 1.00 0.00 C ATOM 8136 O4* G B 379 83.697 33.487 -24.505 1.00 0.00 O ATOM 8137 C3* G B 379 83.220 35.791 -24.566 1.00 0.00 C ATOM 8138 O3* G B 379 82.487 36.802 -23.947 1.00 0.00 O ATOM 8139 C2* G B 379 84.608 35.612 -23.959 1.00 0.00 C ATOM 8140 O2* G B 379 84.549 35.662 -22.542 1.00 0.00 O ATOM 8141 C1* G B 379 84.929 34.170 -24.340 1.00 0.00 C ATOM 8142 N9 G B 379 85.700 34.044 -25.609 1.00 0.00 N ATOM 8143 C8 G B 379 85.264 33.649 -26.854 1.00 0.00 C ATOM 8144 N7 G B 379 86.205 33.644 -27.770 1.00 0.00 N ATOM 8145 C5 G B 379 87.340 34.066 -27.080 1.00 0.00 C ATOM 8146 C6 G B 379 88.669 34.258 -27.540 1.00 0.00 C ATOM 8147 O6 G B 379 89.125 34.092 -28.669 1.00 0.00 O ATOM 8148 N1 G B 379 89.512 34.691 -26.507 1.00 0.00 N ATOM 8149 C2 G B 379 89.118 34.914 -25.200 1.00 0.00 C ATOM 8150 N2 G B 379 90.073 35.331 -24.364 1.00 0.00 N ATOM 8151 N3 G B 379 87.873 34.735 -24.772 1.00 0.00 N ATOM 8152 C4 G B 379 87.043 34.311 -25.760 1.00 0.00 C ATOM 8153 P G B 380 82.414 38.267 -24.662 1.00 0.00 P ATOM 8154 O1P G B 380 81.323 39.072 -24.072 1.00 0.00 O ATOM 8155 O2P G B 380 82.365 38.095 -26.132 1.00 0.00 O ATOM 8156 O5* G B 380 83.830 38.880 -24.236 1.00 0.00 O ATOM 8157 C5* G B 380 84.126 39.048 -22.838 1.00 0.00 C ATOM 8158 C4* G B 380 85.555 39.522 -22.662 1.00 0.00 C ATOM 8159 O4* G B 380 86.458 38.452 -23.064 1.00 0.00 O ATOM 8160 C3* G B 380 85.974 40.706 -23.535 1.00 0.00 C ATOM 8161 O3* G B 380 85.612 41.921 -22.959 1.00 0.00 O ATOM 8162 C2* G B 380 87.489 40.520 -23.616 1.00 0.00 C ATOM 8163 O2* G B 380 88.111 40.932 -22.410 1.00 0.00 O ATOM 8164 C1* G B 380 87.610 39.000 -23.683 1.00 0.00 C ATOM 8165 N9 G B 380 87.685 38.468 -25.071 1.00 0.00 N ATOM 8166 C8 G B 380 86.723 37.805 -25.803 1.00 0.00 C ATOM 8167 N7 G B 380 87.110 37.464 -27.009 1.00 0.00 N ATOM 8168 C5 G B 380 88.421 37.936 -27.083 1.00 0.00 C ATOM 8169 C6 G B 380 89.360 37.867 -28.144 1.00 0.00 C ATOM 8170 O6 G B 380 89.228 37.363 -29.257 1.00 0.00 O ATOM 8171 N1 G B 380 90.575 38.473 -27.792 1.00 0.00 N ATOM 8172 C2 G B 380 90.847 39.071 -26.577 1.00 0.00 C ATOM 8173 N2 G B 380 92.066 39.592 -26.441 1.00 0.00 N ATOM 8174 N3 G B 380 89.964 39.134 -25.584 1.00 0.00 N ATOM 8175 C4 G B 380 88.780 38.550 -25.904 1.00 0.00 C ATOM 8176 P G B 381 85.186 43.156 -23.935 1.00 0.00 P ATOM 8177 O1P G B 381 84.495 44.210 -23.158 1.00 0.00 O ATOM 8178 O2P G B 381 84.445 42.628 -25.102 1.00 0.00 O ATOM 8179 O5* G B 381 86.626 43.681 -24.400 1.00 0.00 O ATOM 8180 C5* G B 381 87.548 44.159 -23.405 1.00 0.00 C ATOM 8181 C4* G B 381 88.881 44.486 -24.047 1.00 0.00 C ATOM 8182 O4* G B 381 89.501 43.250 -24.504 1.00 0.00 O ATOM 8183 C3* G B 381 88.819 45.352 -25.306 1.00 0.00 C ATOM 8184 O3* G B 381 88.756 46.708 -24.989 1.00 0.00 O ATOM 8185 C2* G B 381 90.114 44.973 -26.019 1.00 0.00 C ATOM 8186 O2* G B 381 91.230 45.594 -25.405 1.00 0.00 O ATOM 8187 C1* G B 381 90.211 43.484 -25.710 1.00 0.00 C ATOM 8188 N9 G B 381 89.623 42.613 -26.766 1.00 0.00 N ATOM 8189 C8 G B 381 88.440 41.908 -26.754 1.00 0.00 C ATOM 8190 N7 G B 381 88.210 41.232 -27.854 1.00 0.00 N ATOM 8191 C5 G B 381 89.321 41.509 -28.652 1.00 0.00 C ATOM 8192 C6 G B 381 89.643 41.063 -29.960 1.00 0.00 C ATOM 8193 O6 G B 381 89.001 40.317 -30.696 1.00 0.00 O ATOM 8194 N1 G B 381 90.867 41.587 -30.391 1.00 0.00 N ATOM 8195 C2 G B 381 91.678 42.433 -29.660 1.00 0.00 C ATOM 8196 N2 G B 381 92.809 42.823 -30.251 1.00 0.00 N ATOM 8197 N3 G B 381 91.373 42.853 -28.432 1.00 0.00 N ATOM 8198 C4 G B 381 90.189 42.351 -27.994 1.00 0.00 C ATOM 8199 P A B 382 87.898 47.701 -25.960 1.00 0.00 P ATOM 8200 O1P A B 382 87.648 48.992 -25.280 1.00 0.00 O ATOM 8201 O2P A B 382 86.700 46.992 -26.455 1.00 0.00 O ATOM 8202 O5* A B 382 88.936 47.917 -27.160 1.00 0.00 O ATOM 8203 C5* A B 382 90.216 48.515 -26.879 1.00 0.00 C ATOM 8204 C4* A B 382 91.076 48.507 -28.127 1.00 0.00 C ATOM 8205 O4* A B 382 91.419 47.130 -28.453 1.00 0.00 O ATOM 8206 C3* A B 382 90.411 49.033 -29.399 1.00 0.00 C ATOM 8207 O3* A B 382 90.487 50.421 -29.481 1.00 0.00 O ATOM 8208 C2* A B 382 91.214 48.332 -30.492 1.00 0.00 C ATOM 8209 O2* A B 382 92.479 48.949 -30.660 1.00 0.00 O ATOM 8210 C1* A B 382 91.467 46.968 -29.860 1.00 0.00 C ATOM 8211 N9 A B 382 90.459 45.936 -30.240 1.00 0.00 N ATOM 8212 C8 A B 382 89.439 45.405 -29.485 1.00 0.00 C ATOM 8213 N7 A B 382 88.727 44.516 -30.111 1.00 0.00 N ATOM 8214 C5 A B 382 89.312 44.444 -31.367 1.00 0.00 C ATOM 8215 C6 A B 382 89.019 43.678 -32.507 1.00 0.00 C ATOM 8216 N6 A B 382 88.013 42.794 -32.562 1.00 0.00 N ATOM 8217 N1 A B 382 89.800 43.852 -33.589 1.00 0.00 N ATOM 8218 C2 A B 382 90.798 44.732 -33.526 1.00 0.00 C ATOM 8219 N3 A B 382 91.166 45.499 -32.525 1.00 0.00 N ATOM 8220 C4 A B 382 90.368 45.307 -31.453 1.00 0.00 C ATOM 8221 P C B 383 89.282 51.101 -30.687 1.00 0.00 P ATOM 8222 O1P C B 383 89.369 52.577 -30.778 1.00 0.00 O ATOM 8223 O2P C B 383 87.925 50.549 -30.473 1.00 0.00 O ATOM 8224 O5* C B 383 90.108 50.279 -32.085 1.00 0.00 O ATOM 8225 C5* C B 383 90.364 49.421 -33.205 1.00 0.00 C ATOM 8226 C4* C B 383 89.151 48.381 -33.505 1.00 0.00 C ATOM 8227 O4* C B 383 88.059 48.320 -32.540 1.00 0.00 O ATOM 8228 C3* C B 383 88.459 48.262 -34.857 1.00 0.00 C ATOM 8229 O3* C B 383 89.332 47.737 -36.017 1.00 0.00 O ATOM 8230 C2* C B 383 87.321 47.292 -34.554 1.00 0.00 C ATOM 8231 O2* C B 383 87.808 45.962 -34.461 1.00 0.00 O ATOM 8232 C1* C B 383 86.922 47.719 -33.142 1.00 0.00 C ATOM 8233 N1 C B 383 85.630 48.828 -33.073 1.00 0.00 N ATOM 8234 C2 C B 383 84.355 48.318 -32.874 1.00 0.00 C ATOM 8235 O2 C B 383 84.206 47.098 -32.763 1.00 0.00 O ATOM 8236 N3 C B 383 83.306 49.186 -32.810 1.00 0.00 N ATOM 8237 C4 C B 383 83.511 50.505 -32.935 1.00 0.00 C ATOM 8238 N4 C B 383 82.458 51.307 -32.868 1.00 0.00 N ATOM 8239 C5 C B 383 84.817 51.048 -33.141 1.00 0.00 C ATOM 8240 C6 C B 383 85.849 50.164 -33.204 1.00 0.00 C ATOM 8241 P A B 384 89.200 48.785 -37.489 1.00 0.00 P ATOM 8242 O1P A B 384 87.842 48.798 -38.077 1.00 0.00 O ATOM 8243 O2P A B 384 90.317 48.579 -38.446 1.00 0.00 O ATOM 8244 O5* A B 384 89.497 50.151 -36.347 1.00 0.00 O ATOM 8245 C5* A B 384 90.692 50.822 -35.935 1.00 0.00 C ATOM 8246 C4* A B 384 90.749 52.238 -36.728 1.00 0.00 C ATOM 8247 O4* A B 384 90.266 52.179 -38.101 1.00 0.00 O ATOM 8248 C3* A B 384 90.036 53.457 -36.137 1.00 0.00 C ATOM 8249 O3* A B 384 89.587 53.664 -34.703 1.00 0.00 O ATOM 8250 C2* A B 384 90.002 54.410 -37.324 1.00 0.00 C ATOM 8251 O2* A B 384 91.274 55.002 -37.532 1.00 0.00 O ATOM 8252 C1* A B 384 89.765 53.449 -38.490 1.00 0.00 C ATOM 8253 N9 A B 384 88.152 53.268 -38.932 1.00 0.00 N ATOM 8254 C8 A B 384 87.083 54.067 -38.606 1.00 0.00 C ATOM 8255 N7 A B 384 85.983 53.760 -39.232 1.00 0.00 N ATOM 8256 C5 A B 384 86.346 52.687 -40.035 1.00 0.00 C ATOM 8257 C6 A B 384 85.622 51.903 -40.947 1.00 0.00 C ATOM 8258 N6 A B 384 84.325 52.093 -41.219 1.00 0.00 N ATOM 8259 N1 A B 384 86.290 50.911 -41.571 1.00 0.00 N ATOM 8260 C2 A B 384 87.577 50.729 -41.297 1.00 0.00 C ATOM 8261 N3 A B 384 88.352 51.395 -40.470 1.00 0.00 N ATOM 8262 C4 A B 384 87.663 52.381 -39.859 1.00 0.00 C ATOM 8263 P C B 385 87.790 53.473 -34.428 1.00 0.00 P ATOM 8264 O1P C B 385 87.485 52.669 -33.221 1.00 0.00 O ATOM 8265 O2P C B 385 87.078 53.076 -35.661 1.00 0.00 O ATOM 8266 O5* C B 385 87.652 55.253 -34.083 1.00 0.00 O ATOM 8267 C5* C B 385 87.239 56.264 -33.148 1.00 0.00 C ATOM 8268 C4* C B 385 85.660 56.220 -32.814 1.00 0.00 C ATOM 8269 O4* C B 385 84.762 56.558 -33.907 1.00 0.00 O ATOM 8270 C3* C B 385 85.045 54.946 -32.223 1.00 0.00 C ATOM 8271 O3* C B 385 85.628 54.610 -30.841 1.00 0.00 O ATOM 8272 C2* C B 385 83.549 55.210 -32.378 1.00 0.00 C ATOM 8273 O2* C B 385 83.095 56.124 -31.398 1.00 0.00 O ATOM 8274 C1* C B 385 83.504 55.936 -33.717 1.00 0.00 C ATOM 8275 N1 C B 385 83.191 54.924 -35.071 1.00 0.00 N ATOM 8276 C2 C B 385 82.015 55.143 -35.784 1.00 0.00 C ATOM 8277 O2 C B 385 81.251 56.040 -35.411 1.00 0.00 O ATOM 8278 N3 C B 385 81.752 54.358 -36.860 1.00 0.00 N ATOM 8279 C4 C B 385 82.607 53.400 -37.230 1.00 0.00 C ATOM 8280 N4 C B 385 82.303 52.663 -38.288 1.00 0.00 N ATOM 8281 C5 C B 385 83.824 53.160 -36.511 1.00 0.00 C ATOM 8282 C6 C B 385 84.069 53.954 -35.439 1.00 0.00 C ATOM 8283 P G B 386 84.980 53.139 -29.983 1.00 0.00 P ATOM 8284 O1P G B 386 86.052 52.342 -29.342 1.00 0.00 O ATOM 8285 O2P G B 386 84.032 52.378 -30.824 1.00 0.00 O ATOM 8286 O5* G B 386 84.138 54.192 -28.767 1.00 0.00 O ATOM 8287 C5* G B 386 83.316 54.153 -27.597 1.00 0.00 C ATOM 8288 C4* G B 386 81.733 54.105 -27.936 1.00 0.00 C ATOM 8289 O4* G B 386 81.193 55.075 -28.877 1.00 0.00 O ATOM 8290 C3* G B 386 80.944 52.831 -28.214 1.00 0.00 C ATOM 8291 O3* G B 386 80.971 51.773 -27.096 1.00 0.00 O ATOM 8292 C2* G B 386 79.556 53.381 -28.544 1.00 0.00 C ATOM 8293 O2* G B 386 78.881 53.778 -27.362 1.00 0.00 O ATOM 8294 C1* G B 386 79.902 54.655 -29.306 1.00 0.00 C ATOM 8295 N9 G B 386 79.929 54.482 -31.023 1.00 0.00 N ATOM 8296 C8 G B 386 81.012 54.408 -31.874 1.00 0.00 C ATOM 8297 N7 G B 386 80.691 54.407 -33.143 1.00 0.00 N ATOM 8298 C5 G B 386 79.305 54.493 -33.140 1.00 0.00 C ATOM 8299 C6 G B 386 78.388 54.530 -34.224 1.00 0.00 C ATOM 8300 O6 G B 386 78.618 54.502 -35.427 1.00 0.00 O ATOM 8301 N1 G B 386 77.061 54.613 -33.769 1.00 0.00 N ATOM 8302 C2 G B 386 76.676 54.652 -32.444 1.00 0.00 C ATOM 8303 N2 G B 386 75.363 54.732 -32.217 1.00 0.00 N ATOM 8304 N3 G B 386 77.534 54.617 -31.433 1.00 0.00 N ATOM 8305 C4 G B 386 78.824 54.537 -31.853 1.00 0.00 C ATOM 8306 P U B 387 82.197 50.424 -27.195 1.00 0.00 P ATOM 8307 O1P U B 387 83.365 50.675 -26.323 1.00 0.00 O ATOM 8308 O2P U B 387 82.508 50.026 -28.587 1.00 0.00 O ATOM 8309 O5* U B 387 81.027 49.292 -26.379 1.00 0.00 O ATOM 8310 C5* U B 387 79.858 49.138 -25.554 1.00 0.00 C ATOM 8311 C4* U B 387 78.472 49.368 -26.383 1.00 0.00 C ATOM 8312 O4* U B 387 78.426 50.571 -27.200 1.00 0.00 O ATOM 8313 C3* U B 387 77.913 48.277 -27.295 1.00 0.00 C ATOM 8314 O3* U B 387 77.608 46.912 -26.697 1.00 0.00 O ATOM 8315 C2* U B 387 76.844 49.034 -28.081 1.00 0.00 C ATOM 8316 O2* U B 387 75.685 49.236 -27.282 1.00 0.00 O ATOM 8317 C1* U B 387 77.499 50.398 -28.258 1.00 0.00 C ATOM 8318 N1 U B 387 78.321 50.601 -29.725 1.00 0.00 N ATOM 8319 C2 U B 387 77.556 50.848 -30.841 1.00 0.00 C ATOM 8320 O2 U B 387 76.347 50.979 -30.796 1.00 0.00 O ATOM 8321 N3 U B 387 78.256 50.946 -32.027 1.00 0.00 N ATOM 8322 C4 U B 387 79.620 50.817 -32.188 1.00 0.00 C ATOM 8323 O4 U B 387 80.129 50.920 -33.303 1.00 0.00 O ATOM 8324 C5 U B 387 80.337 50.554 -30.963 1.00 0.00 C ATOM 8325 C6 U B 387 79.684 50.458 -29.794 1.00 0.00 C ATOM 8326 P G B 388 78.574 45.561 -27.458 1.00 0.00 P ATOM 8327 O1P G B 388 79.011 44.567 -26.453 1.00 0.00 O ATOM 8328 O2P G B 388 79.625 46.061 -28.368 1.00 0.00 O ATOM 8329 O5* G B 388 77.097 45.010 -28.358 1.00 0.00 O ATOM 8330 C5* G B 388 75.670 45.118 -28.456 1.00 0.00 C ATOM 8331 C4* G B 388 75.123 45.300 -29.975 1.00 0.00 C ATOM 8332 O4* G B 388 75.044 46.649 -30.525 1.00 0.00 O ATOM 8333 C3* G B 388 75.629 44.456 -31.147 1.00 0.00 C ATOM 8334 O3* G B 388 75.998 42.993 -31.050 1.00 0.00 O ATOM 8335 C2* G B 388 74.936 45.115 -32.339 1.00 0.00 C ATOM 8336 O2* G B 388 73.567 44.740 -32.399 1.00 0.00 O ATOM 8337 C1* G B 388 74.971 46.586 -31.944 1.00 0.00 C ATOM 8338 N9 G B 388 76.295 47.472 -32.593 1.00 0.00 N ATOM 8339 C8 G B 388 77.584 47.582 -32.121 1.00 0.00 C ATOM 8340 N7 G B 388 78.393 48.243 -32.908 1.00 0.00 N ATOM 8341 C5 G B 388 77.584 48.598 -33.987 1.00 0.00 C ATOM 8342 C6 G B 388 77.894 49.326 -35.162 1.00 0.00 C ATOM 8343 O6 G B 388 78.969 49.816 -35.504 1.00 0.00 O ATOM 8344 N1 G B 388 76.777 49.461 -35.998 1.00 0.00 N ATOM 8345 C2 G B 388 75.520 48.951 -35.729 1.00 0.00 C ATOM 8346 N2 G B 388 74.584 49.187 -36.652 1.00 0.00 N ATOM 8347 N3 G B 388 75.229 48.269 -34.628 1.00 0.00 N ATOM 8348 C4 G B 388 76.301 48.131 -33.803 1.00 0.00 C ATOM 8349 P G B 389 77.757 42.714 -31.478 1.00 0.00 P ATOM 8350 O1P G B 389 78.232 41.400 -31.000 1.00 0.00 O ATOM 8351 O2P G B 389 78.615 43.874 -31.137 1.00 0.00 O ATOM 8352 O5* G B 389 77.332 42.702 -33.244 1.00 0.00 O ATOM 8353 C5* G B 389 76.273 43.248 -34.043 1.00 0.00 C ATOM 8354 C4* G B 389 76.620 43.383 -35.632 1.00 0.00 C ATOM 8355 O4* G B 389 76.863 44.767 -36.015 1.00 0.00 O ATOM 8356 C3* G B 389 77.788 42.614 -36.254 1.00 0.00 C ATOM 8357 O3* G B 389 77.558 41.096 -36.369 1.00 0.00 O ATOM 8358 C2* G B 389 78.005 43.366 -37.562 1.00 0.00 C ATOM 8359 O2* G B 389 77.007 43.018 -38.512 1.00 0.00 O ATOM 8360 C1* G B 389 77.727 44.808 -37.142 1.00 0.00 C ATOM 8361 N9 G B 389 79.126 45.714 -36.718 1.00 0.00 N ATOM 8362 C8 G B 389 79.745 45.839 -35.492 1.00 0.00 C ATOM 8363 N7 G B 389 80.730 46.705 -35.476 1.00 0.00 N ATOM 8364 C5 G B 389 80.766 47.187 -36.783 1.00 0.00 C ATOM 8365 C6 G B 389 81.625 48.153 -37.374 1.00 0.00 C ATOM 8366 O6 G B 389 82.542 48.784 -36.861 1.00 0.00 O ATOM 8367 N1 G B 389 81.314 48.349 -38.725 1.00 0.00 N ATOM 8368 C2 G B 389 80.310 47.701 -39.421 1.00 0.00 C ATOM 8369 N2 G B 389 80.175 48.027 -40.704 1.00 0.00 N ATOM 8370 N3 G B 389 79.508 46.796 -38.863 1.00 0.00 N ATOM 8371 C4 G B 389 79.792 46.595 -37.547 1.00 0.00 C ATOM 8372 P U B 390 78.808 39.998 -35.615 1.00 0.00 P ATOM 8373 O1P U B 390 78.226 38.690 -35.235 1.00 0.00 O ATOM 8374 O2P U B 390 79.612 40.672 -34.574 1.00 0.00 O ATOM 8375 O5* U B 390 79.650 39.847 -37.212 1.00 0.00 O ATOM 8376 C5* U B 390 79.166 39.822 -38.557 1.00 0.00 C ATOM 8377 C4* U B 390 80.117 40.723 -39.536 1.00 0.00 C ATOM 8378 O4* U B 390 80.177 42.140 -39.198 1.00 0.00 O ATOM 8379 C3* U B 390 81.587 40.302 -39.621 1.00 0.00 C ATOM 8380 O3* U B 390 81.805 38.935 -40.257 1.00 0.00 O ATOM 8381 C2* U B 390 82.242 41.546 -40.219 1.00 0.00 C ATOM 8382 O2* U B 390 81.982 41.636 -41.610 1.00 0.00 O ATOM 8383 C1* U B 390 81.450 42.662 -39.549 1.00 0.00 C ATOM 8384 N1 U B 390 82.169 43.298 -38.154 1.00 0.00 N ATOM 8385 C2 U B 390 83.002 44.377 -38.317 1.00 0.00 C ATOM 8386 O2 U B 390 83.311 44.817 -39.415 1.00 0.00 O ATOM 8387 N3 U B 390 83.475 44.944 -37.150 1.00 0.00 N ATOM 8388 C4 U B 390 83.193 44.532 -35.865 1.00 0.00 C ATOM 8389 O4 U B 390 83.674 45.121 -34.893 1.00 0.00 O ATOM 8390 C5 U B 390 82.309 43.388 -35.793 1.00 0.00 C ATOM 8391 C6 U B 390 81.839 42.819 -36.911 1.00 0.00 C ATOM 8392 P A B 391 82.975 37.878 -39.349 1.00 0.00 P ATOM 8393 O1P A B 391 82.548 36.461 -39.305 1.00 0.00 O ATOM 8394 O2P A B 391 83.380 38.468 -38.057 1.00 0.00 O ATOM 8395 O5* A B 391 84.172 38.184 -40.676 1.00 0.00 O ATOM 8396 C5* A B 391 84.084 38.961 -41.884 1.00 0.00 C ATOM 8397 C4* A B 391 85.229 40.108 -41.984 1.00 0.00 C ATOM 8398 O4* A B 391 84.907 41.464 -41.565 1.00 0.00 O ATOM 8399 C3* A B 391 86.637 39.877 -41.432 1.00 0.00 C ATOM 8400 O3* A B 391 87.364 38.692 -42.027 1.00 0.00 O ATOM 8401 C2* A B 391 87.276 41.256 -41.594 1.00 0.00 C ATOM 8402 O2* A B 391 87.625 41.491 -42.948 1.00 0.00 O ATOM 8403 C1* A B 391 86.101 42.175 -41.273 1.00 0.00 C ATOM 8404 N9 A B 391 86.032 42.691 -39.678 1.00 0.00 N ATOM 8405 C8 A B 391 85.423 42.078 -38.608 1.00 0.00 C ATOM 8406 N7 A B 391 85.388 42.804 -37.532 1.00 0.00 N ATOM 8407 C5 A B 391 86.017 43.984 -37.907 1.00 0.00 C ATOM 8408 C6 A B 391 86.305 45.167 -37.209 1.00 0.00 C ATOM 8409 N6 A B 391 85.975 45.367 -35.923 1.00 0.00 N ATOM 8410 N1 A B 391 86.944 46.144 -37.879 1.00 0.00 N ATOM 8411 C2 A B 391 87.264 45.942 -39.155 1.00 0.00 C ATOM 8412 N3 A B 391 87.051 44.887 -39.908 1.00 0.00 N ATOM 8413 C4 A B 391 86.411 43.922 -39.211 1.00 0.00 C ATOM 8414 P U B 392 88.074 37.523 -40.828 1.00 0.00 P ATOM 8415 O1P U B 392 88.599 36.375 -41.603 1.00 0.00 O ATOM 8416 O2P U B 392 87.269 37.181 -39.635 1.00 0.00 O ATOM 8417 O5* U B 392 89.282 38.487 -40.409 1.00 0.00 O ATOM 8418 C5* U B 392 90.145 39.014 -41.434 1.00 0.00 C ATOM 8419 C4* U B 392 91.130 39.990 -40.827 1.00 0.00 C ATOM 8420 O4* U B 392 90.408 41.170 -40.371 1.00 0.00 O ATOM 8421 C3* U B 392 91.871 39.507 -39.582 1.00 0.00 C ATOM 8422 O3* U B 392 92.989 38.745 -39.915 1.00 0.00 O ATOM 8423 C2* U B 392 92.237 40.820 -38.896 1.00 0.00 C ATOM 8424 O2* U B 392 93.330 41.442 -39.549 1.00 0.00 O ATOM 8425 C1* U B 392 91.004 41.673 -39.186 1.00 0.00 C ATOM 8426 N1 U B 392 89.981 41.636 -38.103 1.00 0.00 N ATOM 8427 C2 U B 392 90.264 42.336 -36.953 1.00 0.00 C ATOM 8428 O2 U B 392 91.295 42.970 -36.800 1.00 0.00 O ATOM 8429 N3 U B 392 89.293 42.282 -35.973 1.00 0.00 N ATOM 8430 C4 U B 392 88.096 41.600 -36.043 1.00 0.00 C ATOM 8431 O4 U B 392 87.307 41.623 -35.097 1.00 0.00 O ATOM 8432 C5 U B 392 87.891 40.894 -37.286 1.00 0.00 C ATOM 8433 C6 U B 392 88.818 40.932 -38.258 1.00 0.00 C ATOM 8434 P C B 393 93.418 37.511 -38.937 1.00 0.00 P ATOM 8435 O1P C B 393 94.372 36.616 -39.631 1.00 0.00 O ATOM 8436 O2P C B 393 92.201 36.862 -38.401 1.00 0.00 O ATOM 8437 O5* C B 393 94.170 38.301 -37.769 1.00 0.00 O ATOM 8438 C5* C B 393 95.336 39.079 -38.088 1.00 0.00 C ATOM 8439 C4* C B 393 95.808 39.838 -36.865 1.00 0.00 C ATOM 8440 O4* C B 393 94.818 40.852 -36.527 1.00 0.00 O ATOM 8441 C3* C B 393 95.943 39.015 -35.581 1.00 0.00 C ATOM 8442 O3* C B 393 97.171 38.361 -35.522 1.00 0.00 O ATOM 8443 C2* C B 393 95.791 40.081 -34.500 1.00 0.00 C ATOM 8444 O2* C B 393 96.979 40.844 -34.373 1.00 0.00 O ATOM 8445 C1* C B 393 94.739 40.997 -35.119 1.00 0.00 C ATOM 8446 N1 C B 393 93.345 40.677 -34.700 1.00 0.00 N ATOM 8447 C2 C B 393 92.959 41.024 -33.409 1.00 0.00 C ATOM 8448 O2 C B 393 93.780 41.580 -32.670 1.00 0.00 O ATOM 8449 N3 C B 393 91.693 40.742 -33.008 1.00 0.00 N ATOM 8450 C4 C B 393 90.833 40.138 -33.838 1.00 0.00 C ATOM 8451 N4 C B 393 89.610 39.885 -33.401 1.00 0.00 N ATOM 8452 C5 C B 393 91.210 39.774 -35.169 1.00 0.00 C ATOM 8453 C6 C B 393 92.480 40.065 -35.552 1.00 0.00 C ATOM 8454 P C B 394 97.246 36.895 -34.806 1.00 0.00 P ATOM 8455 O1P C B 394 98.512 36.216 -35.157 1.00 0.00 O ATOM 8456 O2P C B 394 96.006 36.141 -35.092 1.00 0.00 O ATOM 8457 O5* C B 394 97.272 37.321 -33.260 1.00 0.00 O ATOM 8458 C5* C B 394 98.353 38.144 -32.781 1.00 0.00 C ATOM 8459 C4* C B 394 98.113 38.522 -31.334 1.00 0.00 C ATOM 8460 O4* C B 394 96.965 39.416 -31.266 1.00 0.00 O ATOM 8461 C3* C B 394 97.739 37.373 -30.395 1.00 0.00 C ATOM 8462 O3* C B 394 98.870 36.711 -29.924 1.00 0.00 O ATOM 8463 C2* C B 394 96.976 38.098 -29.289 1.00 0.00 C ATOM 8464 O2* C B 394 97.873 38.778 -28.425 1.00 0.00 O ATOM 8465 C1* C B 394 96.228 39.165 -30.080 1.00 0.00 C ATOM 8466 N1 C B 394 94.848 38.762 -30.472 1.00 0.00 N ATOM 8467 C2 C B 394 93.871 38.740 -29.480 1.00 0.00 C ATOM 8468 O2 C B 394 94.186 39.058 -28.328 1.00 0.00 O ATOM 8469 N3 C B 394 92.607 38.374 -29.817 1.00 0.00 N ATOM 8470 C4 C B 394 92.307 38.040 -31.078 1.00 0.00 C ATOM 8471 N4 C B 394 91.060 37.691 -31.354 1.00 0.00 N ATOM 8472 C5 C B 394 93.297 38.054 -32.112 1.00 0.00 C ATOM 8473 C6 C B 394 94.554 38.423 -31.756 1.00 0.00 C ATOM 8474 P U B 395 98.781 35.104 -29.650 1.00 0.00 P ATOM 8475 O1P U B 395 100.139 34.530 -29.516 1.00 0.00 O ATOM 8476 O2P U B 395 97.915 34.477 -30.676 1.00 0.00 O ATOM 8477 O5* U B 395 98.042 35.080 -28.231 1.00 0.00 O ATOM 8478 C5* U B 395 98.672 35.719 -27.106 1.00 0.00 C ATOM 8479 C4* U B 395 97.747 35.686 -25.907 1.00 0.00 C ATOM 8480 O4* U B 395 96.599 36.542 -26.171 1.00 0.00 O ATOM 8481 C3* U B 395 97.125 34.327 -25.583 1.00 0.00 C ATOM 8482 O3* U B 395 97.981 33.544 -24.812 1.00 0.00 O ATOM 8483 C2* U B 395 95.858 34.725 -24.831 1.00 0.00 C ATOM 8484 O2* U B 395 96.162 35.128 -23.504 1.00 0.00 O ATOM 8485 C1* U B 395 95.435 35.983 -25.587 1.00 0.00 C ATOM 8486 N1 U B 395 94.452 35.722 -26.675 1.00 0.00 N ATOM 8487 C2 U B 395 93.159 35.449 -26.297 1.00 0.00 C ATOM 8488 O2 U B 395 92.801 35.411 -25.133 1.00 0.00 O ATOM 8489 N3 U B 395 92.274 35.214 -27.334 1.00 0.00 N ATOM 8490 C4 U B 395 92.570 35.229 -28.681 1.00 0.00 C ATOM 8491 O4 U B 395 91.695 35.004 -29.519 1.00 0.00 O ATOM 8492 C5 U B 395 93.953 35.528 -28.977 1.00 0.00 C ATOM 8493 C6 U B 395 94.831 35.759 -27.990 1.00 0.00 C ATOM 8494 P G B 396 97.970 31.925 -25.029 1.00 0.00 P ATOM 8495 O1P G B 396 99.172 31.318 -24.413 1.00 0.00 O ATOM 8496 O2P G B 396 97.759 31.621 -26.461 1.00 0.00 O ATOM 8497 O5* G B 396 96.668 31.518 -24.190 1.00 0.00 O ATOM 8498 C5* G B 396 96.628 31.812 -22.780 1.00 0.00 C ATOM 8499 C4* G B 396 95.265 31.460 -22.219 1.00 0.00 C ATOM 8500 O4* G B 396 94.274 32.372 -22.774 1.00 0.00 O ATOM 8501 C3* G B 396 94.733 30.072 -22.582 1.00 0.00 C ATOM 8502 O3* G B 396 95.225 29.094 -21.724 1.00 0.00 O ATOM 8503 C2* G B 396 93.224 30.267 -22.451 1.00 0.00 C ATOM 8504 O2* G B 396 92.833 30.277 -21.090 1.00 0.00 O ATOM 8505 C1* G B 396 93.049 31.688 -22.975 1.00 0.00 C ATOM 8506 N9 G B 396 92.716 31.756 -24.427 1.00 0.00 N ATOM 8507 C8 G B 396 93.517 32.126 -25.485 1.00 0.00 C ATOM 8508 N7 G B 396 92.916 32.077 -26.650 1.00 0.00 N ATOM 8509 C5 G B 396 91.626 31.643 -26.340 1.00 0.00 C ATOM 8510 C6 G B 396 90.514 31.401 -27.187 1.00 0.00 C ATOM 8511 O6 G B 396 90.437 31.521 -28.407 1.00 0.00 O ATOM 8512 N1 G B 396 89.399 30.971 -26.455 1.00 0.00 N ATOM 8513 C2 G B 396 89.358 30.800 -25.085 1.00 0.00 C ATOM 8514 N2 G B 396 88.199 30.382 -24.580 1.00 0.00 N ATOM 8515 N3 G B 396 90.404 31.026 -24.293 1.00 0.00 N ATOM 8516 C4 G B 396 91.496 31.444 -24.985 1.00 0.00 C ATOM 8517 P U B 397 94.564 28.397 -21.907 1.00 0.00 P ATOM 8518 O1P U B 397 95.522 27.765 -20.972 1.00 0.00 O ATOM 8519 O2P U B 397 95.112 28.793 -23.221 1.00 0.00 O ATOM 8520 O5* U B 397 93.298 27.436 -22.113 1.00 0.00 O ATOM 8521 C5* U B 397 92.455 27.142 -20.986 1.00 0.00 C ATOM 8522 C4* U B 397 91.258 26.325 -21.433 1.00 0.00 C ATOM 8523 O4* U B 397 90.407 27.158 -22.273 1.00 0.00 O ATOM 8524 C3* U B 397 91.572 25.112 -22.315 1.00 0.00 C ATOM 8525 O3* U B 397 91.912 24.000 -21.549 1.00 0.00 O ATOM 8526 C2* U B 397 90.259 24.926 -23.075 1.00 0.00 C ATOM 8527 O2* U B 397 89.279 24.324 -22.248 1.00 0.00 O ATOM 8528 C1* U B 397 89.825 26.371 -23.300 1.00 0.00 C ATOM 8529 N1 U B 397 90.259 26.929 -24.610 1.00 0.00 N ATOM 8530 C2 U B 397 89.530 26.570 -25.718 1.00 0.00 C ATOM 8531 O2 U B 397 88.568 25.816 -25.661 1.00 0.00 O ATOM 8532 N3 U B 397 89.962 27.107 -26.914 1.00 0.00 N ATOM 8533 C4 U B 397 91.035 27.953 -27.090 1.00 0.00 C ATOM 8534 O4 U B 397 91.326 28.372 -28.214 1.00 0.00 O ATOM 8535 C5 U B 397 91.741 28.273 -25.871 1.00 0.00 C ATOM 8536 C6 U B 397 91.342 27.763 -24.694 1.00 0.00 C ATOM 8537 P C B 398 92.617 22.726 -22.289 1.00 0.00 P ATOM 8538 O1P C B 398 93.020 21.713 -21.289 1.00 0.00 O ATOM 8539 O2P C B 398 93.689 23.207 -23.187 1.00 0.00 O ATOM 8540 O5* C B 398 91.390 22.171 -23.158 1.00 0.00 O ATOM 8541 C5* C B 398 90.199 21.731 -22.483 1.00 0.00 C ATOM 8542 C4* C B 398 89.134 21.367 -23.498 1.00 0.00 C ATOM 8543 O4* C B 398 88.698 22.578 -24.179 1.00 0.00 O ATOM 8544 C3* C B 398 89.581 20.449 -24.635 1.00 0.00 C ATOM 8545 O3* C B 398 89.532 19.108 -24.258 1.00 0.00 O ATOM 8546 C2* C B 398 88.578 20.789 -25.736 1.00 0.00 C ATOM 8547 O2* C B 398 87.322 20.184 -25.475 1.00 0.00 O ATOM 8548 C1* C B 398 88.400 22.289 -25.535 1.00 0.00 C ATOM 8549 N1 C B 398 89.296 23.116 -26.390 1.00 0.00 N ATOM 8550 C2 C B 398 88.993 23.214 -27.745 1.00 0.00 C ATOM 8551 O2 C B 398 88.003 22.614 -28.179 1.00 0.00 O ATOM 8552 N3 C B 398 89.798 23.963 -28.542 1.00 0.00 N ATOM 8553 C4 C B 398 90.861 24.599 -28.032 1.00 0.00 C ATOM 8554 N4 C B 398 91.614 25.318 -28.854 1.00 0.00 N ATOM 8555 C5 C B 398 91.190 24.513 -26.643 1.00 0.00 C ATOM 8556 C6 C B 398 90.375 23.759 -25.863 1.00 0.00 C ATOM 8557 P U B 399 90.644 18.079 -24.867 1.00 0.00 P ATOM 8558 O1P U B 399 90.660 16.820 -24.087 1.00 0.00 O ATOM 8559 O2P U B 399 91.944 18.777 -24.990 1.00 0.00 O ATOM 8560 O5* U B 399 90.036 17.805 -26.322 1.00 0.00 O ATOM 8561 C5* U B 399 88.728 17.213 -26.430 1.00 0.00 C ATOM 8562 C4* U B 399 88.304 17.161 -27.884 1.00 0.00 C ATOM 8563 O4* U B 399 88.088 18.522 -28.361 1.00 0.00 O ATOM 8564 C3* U B 399 89.331 16.587 -28.859 1.00 0.00 C ATOM 8565 O3* U B 399 89.275 15.196 -28.904 1.00 0.00 O ATOM 8566 C2* U B 399 88.916 17.233 -30.180 1.00 0.00 C ATOM 8567 O2* U B 399 87.763 16.600 -30.710 1.00 0.00 O ATOM 8568 C1* U B 399 88.486 18.622 -29.719 1.00 0.00 C ATOM 8569 N1 U B 399 89.569 19.643 -29.804 1.00 0.00 N ATOM 8570 C2 U B 399 89.900 20.101 -31.056 1.00 0.00 C ATOM 8571 O2 U B 399 89.350 19.707 -32.073 1.00 0.00 O ATOM 8572 N3 U B 399 90.907 21.045 -31.099 1.00 0.00 N ATOM 8573 C4 U B 399 91.593 21.560 -30.016 1.00 0.00 C ATOM 8574 O4 U B 399 92.478 22.402 -30.176 1.00 0.00 O ATOM 8575 C5 U B 399 91.176 21.018 -28.745 1.00 0.00 C ATOM 8576 C6 U B 399 90.200 20.096 -28.676 1.00 0.00 C ATOM 8577 P G B 400 89.118 13.835 -30.156 1.00 0.00 P ATOM 8578 O1P G B 400 88.385 12.712 -29.530 1.00 0.00 O ATOM 8579 O2P G B 400 90.451 13.507 -30.707 1.00 0.00 O ATOM 8580 O5* G B 400 88.009 14.577 -31.407 1.00 0.00 O ATOM 8581 C5* G B 400 86.809 14.249 -32.131 1.00 0.00 C ATOM 8582 C4* G B 400 85.513 15.178 -31.854 1.00 0.00 C ATOM 8583 O4* G B 400 84.953 15.403 -30.526 1.00 0.00 O ATOM 8584 C3* G B 400 85.055 16.392 -32.662 1.00 0.00 C ATOM 8585 O3* G B 400 85.975 17.618 -32.993 1.00 0.00 O ATOM 8586 C2* G B 400 83.661 16.647 -32.088 1.00 0.00 C ATOM 8587 O2* G B 400 82.732 15.706 -32.601 1.00 0.00 O ATOM 8588 C1* G B 400 83.868 16.311 -30.617 1.00 0.00 C ATOM 8589 N9 G B 400 84.215 17.676 -29.607 1.00 0.00 N ATOM 8590 C8 G B 400 84.438 17.718 -28.251 1.00 0.00 C ATOM 8591 N7 G B 400 84.656 18.926 -27.783 1.00 0.00 N ATOM 8592 C5 G B 400 84.575 19.734 -28.912 1.00 0.00 C ATOM 8593 C6 G B 400 84.724 21.144 -29.043 1.00 0.00 C ATOM 8594 O6 G B 400 84.959 21.972 -28.171 1.00 0.00 O ATOM 8595 N1 G B 400 84.557 21.553 -30.371 1.00 0.00 N ATOM 8596 C2 G B 400 84.285 20.720 -31.440 1.00 0.00 C ATOM 8597 N2 G B 400 84.165 21.308 -32.628 1.00 0.00 N ATOM 8598 N3 G B 400 84.148 19.401 -31.319 1.00 0.00 N ATOM 8599 C4 G B 400 84.297 18.985 -30.032 1.00 0.00 C ATOM 8600 P A B 401 87.450 17.267 -33.986 1.00 0.00 P ATOM 8601 O1P A B 401 88.183 16.060 -33.540 1.00 0.00 O ATOM 8602 O2P A B 401 88.277 18.481 -34.177 1.00 0.00 O ATOM 8603 O5* A B 401 86.334 16.947 -35.380 1.00 0.00 O ATOM 8604 C5* A B 401 85.652 17.698 -36.403 1.00 0.00 C ATOM 8605 C4* A B 401 86.525 19.010 -36.755 1.00 0.00 C ATOM 8606 O4* A B 401 87.971 18.845 -36.715 1.00 0.00 O ATOM 8607 C3* A B 401 86.302 20.040 -37.867 1.00 0.00 C ATOM 8608 O3* A B 401 84.918 20.687 -38.078 1.00 0.00 O ATOM 8609 C2* A B 401 87.511 20.962 -37.696 1.00 0.00 C ATOM 8610 O2* A B 401 87.329 21.821 -36.588 1.00 0.00 O ATOM 8611 C1* A B 401 88.601 19.966 -37.315 1.00 0.00 C ATOM 8612 N9 A B 401 89.541 19.418 -38.610 1.00 0.00 N ATOM 8613 C8 A B 401 89.831 20.065 -39.788 1.00 0.00 C ATOM 8614 N7 A B 401 90.405 19.318 -40.676 1.00 0.00 N ATOM 8615 C5 A B 401 90.510 18.081 -40.058 1.00 0.00 C ATOM 8616 C6 A B 401 91.037 16.849 -40.484 1.00 0.00 C ATOM 8617 N6 A B 401 91.584 16.656 -41.696 1.00 0.00 N ATOM 8618 N1 A B 401 90.982 15.821 -39.617 1.00 0.00 N ATOM 8619 C2 A B 401 90.442 16.019 -38.417 1.00 0.00 C ATOM 8620 N3 A B 401 89.917 17.123 -37.912 1.00 0.00 N ATOM 8621 C4 A B 401 89.988 18.133 -38.800 1.00 0.00 C ATOM 8622 P A B 402 84.711 21.688 -39.610 1.00 0.00 P ATOM 8623 O1P A B 402 84.623 20.850 -40.828 1.00 0.00 O ATOM 8624 O2P A B 402 85.703 22.787 -39.657 1.00 0.00 O ATOM 8625 O5* A B 402 83.020 22.274 -39.201 1.00 0.00 O ATOM 8626 C5* A B 402 82.057 23.182 -39.822 1.00 0.00 C ATOM 8627 C4* A B 402 80.522 23.005 -39.305 1.00 0.00 C ATOM 8628 O4* A B 402 80.303 21.696 -38.697 1.00 0.00 O ATOM 8629 C3* A B 402 79.764 23.965 -38.389 1.00 0.00 C ATOM 8630 O3* A B 402 79.442 25.376 -38.994 1.00 0.00 O ATOM 8631 C2* A B 402 78.548 23.134 -37.985 1.00 0.00 C ATOM 8632 O2* A B 402 77.608 23.080 -39.040 1.00 0.00 O ATOM 8633 C1* A B 402 79.161 21.741 -37.857 1.00 0.00 C ATOM 8634 N9 A B 402 79.635 21.324 -36.297 1.00 0.00 N ATOM 8635 C8 A B 402 80.903 21.065 -35.831 1.00 0.00 C ATOM 8636 N7 A B 402 80.933 20.589 -34.624 1.00 0.00 N ATOM 8637 C5 A B 402 79.598 20.526 -34.257 1.00 0.00 C ATOM 8638 C6 A B 402 78.957 20.108 -33.077 1.00 0.00 C ATOM 8639 N6 A B 402 79.615 19.649 -32.004 1.00 0.00 N ATOM 8640 N1 A B 402 77.613 20.176 -33.042 1.00 0.00 N ATOM 8641 C2 A B 402 76.965 20.638 -34.114 1.00 0.00 C ATOM 8642 N3 A B 402 77.454 21.052 -35.262 1.00 0.00 N ATOM 8643 C4 A B 402 78.802 20.974 -35.269 1.00 0.00 C ATOM 8644 P U B 403 78.055 26.381 -38.289 1.00 0.00 P ATOM 8645 O1P U B 403 78.453 26.951 -36.980 1.00 0.00 O ATOM 8646 O2P U B 403 76.783 25.628 -38.302 1.00 0.00 O ATOM 8647 O5* U B 403 78.002 27.702 -39.587 1.00 0.00 O ATOM 8648 C5* U B 403 77.905 29.151 -39.906 1.00 0.00 C ATOM 8649 C4* U B 403 79.022 30.009 -39.001 1.00 0.00 C ATOM 8650 O4* U B 403 79.404 29.008 -38.007 1.00 0.00 O ATOM 8651 C3* U B 403 80.355 30.439 -39.608 1.00 0.00 C ATOM 8652 O3* U B 403 80.274 31.732 -40.480 1.00 0.00 O ATOM 8653 C2* U B 403 81.292 30.386 -38.407 1.00 0.00 C ATOM 8654 O2* U B 403 81.092 31.509 -37.561 1.00 0.00 O ATOM 8655 C1* U B 403 80.765 29.167 -37.658 1.00 0.00 C ATOM 8656 N1 U B 403 81.588 27.697 -38.009 1.00 0.00 N ATOM 8657 C2 U B 403 82.366 27.671 -39.143 1.00 0.00 C ATOM 8658 O2 U B 403 82.410 28.599 -39.937 1.00 0.00 O ATOM 8659 N3 U B 403 83.102 26.519 -39.338 1.00 0.00 N ATOM 8660 C4 U B 403 83.125 25.417 -38.509 1.00 0.00 C ATOM 8661 O4 U B 403 83.824 24.439 -38.792 1.00 0.00 O ATOM 8662 C5 U B 403 82.283 25.537 -37.341 1.00 0.00 C ATOM 8663 C6 U B 403 81.555 26.647 -37.132 1.00 0.00 C ATOM 8664 P A B 404 81.328 33.227 -40.250 1.00 0.00 P ATOM 8665 O1P A B 404 82.442 33.223 -41.232 1.00 0.00 O ATOM 8666 O2P A B 404 81.711 33.472 -38.844 1.00 0.00 O ATOM 8667 O5* A B 404 79.985 34.404 -40.700 1.00 0.00 O ATOM 8668 C5* A B 404 78.951 35.440 -40.571 1.00 0.00 C ATOM 8669 C4* A B 404 79.230 36.838 -41.407 1.00 0.00 C ATOM 8670 O4* A B 404 80.424 36.676 -42.221 1.00 0.00 O ATOM 8671 C3* A B 404 78.238 37.540 -42.345 1.00 0.00 C ATOM 8672 O3* A B 404 76.895 38.151 -41.703 1.00 0.00 O ATOM 8673 C2* A B 404 79.153 38.462 -43.147 1.00 0.00 C ATOM 8674 O2* A B 404 79.534 39.586 -42.372 1.00 0.00 O ATOM 8675 C1* A B 404 80.400 37.594 -43.303 1.00 0.00 C ATOM 8676 N9 A B 404 80.474 36.716 -44.748 1.00 0.00 N ATOM 8677 C8 A B 404 79.701 36.862 -45.875 1.00 0.00 C ATOM 8678 N7 A B 404 80.095 36.141 -46.879 1.00 0.00 N ATOM 8679 C5 A B 404 81.203 35.466 -46.393 1.00 0.00 C ATOM 8680 C6 A B 404 82.078 34.534 -46.977 1.00 0.00 C ATOM 8681 N6 A B 404 81.960 34.108 -48.242 1.00 0.00 N ATOM 8682 N1 A B 404 83.081 34.059 -46.215 1.00 0.00 N ATOM 8683 C2 A B 404 83.187 34.491 -44.957 1.00 0.00 C ATOM 8684 N3 A B 404 82.435 35.352 -44.306 1.00 0.00 N ATOM 8685 C4 A B 404 81.443 35.810 -45.094 1.00 0.00 C ATOM 8686 P U B 405 76.655 39.983 -41.318 1.00 0.00 P ATOM 8687 O1P U B 405 76.722 40.754 -42.576 1.00 0.00 O ATOM 8688 O2P U B 405 77.638 40.359 -40.272 1.00 0.00 O ATOM 8689 O5* U B 405 74.977 40.273 -40.507 1.00 0.00 O ATOM 8690 C5* U B 405 74.486 41.665 -40.172 1.00 0.00 C ATOM 8691 C4* U B 405 73.461 42.020 -38.910 1.00 0.00 C ATOM 8692 O4* U B 405 73.229 40.877 -38.042 1.00 0.00 O ATOM 8693 C3* U B 405 73.554 43.207 -37.948 1.00 0.00 C ATOM 8694 O3* U B 405 73.748 44.683 -38.302 1.00 0.00 O ATOM 8695 C2* U B 405 72.530 42.832 -36.881 1.00 0.00 C ATOM 8696 O2* U B 405 71.213 43.056 -37.345 1.00 0.00 O ATOM 8697 C1* U B 405 72.717 41.322 -36.790 1.00 0.00 C ATOM 8698 N1 U B 405 73.777 40.816 -35.573 1.00 0.00 N ATOM 8699 C2 U B 405 73.958 41.667 -34.505 1.00 0.00 C ATOM 8700 O2 U B 405 73.305 42.694 -34.355 1.00 0.00 O ATOM 8701 N3 U B 405 74.937 41.297 -33.607 1.00 0.00 N ATOM 8702 C4 U B 405 75.728 40.169 -33.677 1.00 0.00 C ATOM 8703 O4 U B 405 76.572 39.941 -32.811 1.00 0.00 O ATOM 8704 C5 U B 405 75.465 39.338 -34.821 1.00 0.00 C ATOM 8705 C6 U B 405 74.518 39.673 -35.717 1.00 0.00 C ATOM 8706 P G B 406 72.723 46.137 -37.871 1.00 0.00 P ATOM 8707 O1P G B 406 73.361 47.067 -36.913 1.00 0.00 O ATOM 8708 O2P G B 406 71.259 45.986 -37.736 1.00 0.00 O ATOM 8709 O5* G B 406 73.085 46.572 -39.370 1.00 0.00 O ATOM 8710 C5* G B 406 74.464 46.582 -39.779 1.00 0.00 C ATOM 8711 C4* G B 406 74.565 46.898 -41.257 1.00 0.00 C ATOM 8712 O4* G B 406 74.007 45.784 -42.015 1.00 0.00 O ATOM 8713 C3* G B 406 73.765 48.109 -41.737 1.00 0.00 C ATOM 8714 O3* G B 406 74.468 49.296 -41.541 1.00 0.00 O ATOM 8715 C2* G B 406 73.549 47.786 -43.212 1.00 0.00 C ATOM 8716 O2* G B 406 74.732 48.022 -43.957 1.00 0.00 O ATOM 8717 C1* G B 406 73.346 46.276 -43.171 1.00 0.00 C ATOM 8718 N9 G B 406 71.915 45.866 -43.092 1.00 0.00 N ATOM 8719 C8 G B 406 71.209 45.368 -42.017 1.00 0.00 C ATOM 8720 N7 G B 406 69.953 45.103 -42.283 1.00 0.00 N ATOM 8721 C5 G B 406 69.816 45.451 -43.625 1.00 0.00 C ATOM 8722 C6 G B 406 68.681 45.387 -44.476 1.00 0.00 C ATOM 8723 O6 G B 406 67.544 45.003 -44.213 1.00 0.00 O ATOM 8724 N1 G B 406 68.983 45.839 -45.767 1.00 0.00 N ATOM 8725 C2 G B 406 70.221 46.293 -46.184 1.00 0.00 C ATOM 8726 N2 G B 406 70.304 46.680 -47.460 1.00 0.00 N ATOM 8727 N3 G B 406 71.284 46.352 -45.387 1.00 0.00 N ATOM 8728 C4 G B 406 71.007 45.917 -44.128 1.00 0.00 C ATOM 8729 P G B 407 73.634 50.651 -41.177 1.00 0.00 P ATOM 8730 O1P G B 407 74.550 51.691 -40.656 1.00 0.00 O ATOM 8731 O2P G B 407 72.489 50.306 -40.305 1.00 0.00 O ATOM 8732 O5* G B 407 73.103 51.074 -42.625 1.00 0.00 O ATOM 8733 C5* G B 407 74.059 51.368 -43.662 1.00 0.00 C ATOM 8734 C4* G B 407 73.343 51.620 -44.974 1.00 0.00 C ATOM 8735 O4* G B 407 72.737 50.377 -45.427 1.00 0.00 O ATOM 8736 C3* G B 407 72.171 52.601 -44.913 1.00 0.00 C ATOM 8737 O3* G B 407 72.602 53.920 -45.013 1.00 0.00 O ATOM 8738 C2* G B 407 71.326 52.164 -46.108 1.00 0.00 C ATOM 8739 O2* G B 407 71.903 52.616 -47.322 1.00 0.00 O ATOM 8740 C1* G B 407 71.500 50.650 -46.071 1.00 0.00 C ATOM 8741 N9 G B 407 70.425 49.940 -45.325 1.00 0.00 N ATOM 8742 C8 G B 407 70.473 49.356 -44.078 1.00 0.00 C ATOM 8743 N7 G B 407 69.342 48.807 -43.704 1.00 0.00 N ATOM 8744 C5 G B 407 68.486 49.049 -44.778 1.00 0.00 C ATOM 8745 C6 G B 407 67.122 48.694 -44.958 1.00 0.00 C ATOM 8746 O6 G B 407 66.379 48.083 -44.195 1.00 0.00 O ATOM 8747 N1 G B 407 66.639 49.135 -46.196 1.00 0.00 N ATOM 8748 C2 G B 407 67.375 49.828 -47.139 1.00 0.00 C ATOM 8749 N2 G B 407 66.731 50.157 -48.259 1.00 0.00 N ATOM 8750 N3 G B 407 68.654 50.160 -46.970 1.00 0.00 N ATOM 8751 C4 G B 407 69.139 49.737 -45.770 1.00 0.00 C ATOM 8752 P G B 408 71.790 55.079 -44.197 1.00 0.00 P ATOM 8753 O1P G B 408 72.594 56.319 -44.128 1.00 0.00 O ATOM 8754 O2P G B 408 71.333 54.534 -42.899 1.00 0.00 O ATOM 8755 O5* G B 408 70.533 55.301 -45.164 1.00 0.00 O ATOM 8756 C5* G B 408 70.760 55.742 -46.514 1.00 0.00 C ATOM 8757 C4* G B 408 69.454 55.766 -47.280 1.00 0.00 C ATOM 8758 O4* G B 408 68.986 54.397 -47.455 1.00 0.00 O ATOM 8759 C3* G B 408 68.287 56.467 -46.584 1.00 0.00 C ATOM 8760 O3* G B 408 68.314 57.843 -46.796 1.00 0.00 O ATOM 8761 C2* G B 408 67.077 55.793 -47.232 1.00 0.00 C ATOM 8762 O2* G B 408 66.862 56.300 -48.539 1.00 0.00 O ATOM 8763 C1* G B 408 67.570 54.359 -47.388 1.00 0.00 C ATOM 8764 N9 G B 408 67.188 53.469 -46.252 1.00 0.00 N ATOM 8765 C8 G B 408 67.971 52.973 -45.234 1.00 0.00 C ATOM 8766 N7 G B 408 67.323 52.210 -44.387 1.00 0.00 N ATOM 8767 C5 G B 408 66.018 52.202 -44.879 1.00 0.00 C ATOM 8768 C6 G B 408 64.860 51.546 -44.387 1.00 0.00 C ATOM 8769 O6 G B 408 64.744 50.829 -43.398 1.00 0.00 O ATOM 8770 N1 G B 408 63.744 51.807 -45.193 1.00 0.00 N ATOM 8771 C2 G B 408 63.745 52.595 -46.329 1.00 0.00 C ATOM 8772 N2 G B 408 62.576 52.718 -46.959 1.00 0.00 N ATOM 8773 N3 G B 408 64.833 53.211 -46.789 1.00 0.00 N ATOM 8774 C4 G B 408 65.927 52.969 -46.018 1.00 0.00 C ATOM 8775 P G B 409 67.786 58.831 -45.611 1.00 0.00 P ATOM 8776 O1P G B 409 68.229 60.222 -45.867 1.00 0.00 O ATOM 8777 O2P G B 409 68.163 58.267 -44.295 1.00 0.00 O ATOM 8778 O5* G B 409 66.201 58.724 -45.814 1.00 0.00 O ATOM 8779 C5* G B 409 65.628 59.135 -47.067 1.00 0.00 C ATOM 8780 C4* G B 409 64.144 58.830 -47.085 1.00 0.00 C ATOM 8781 O4* G B 409 63.961 57.385 -47.097 1.00 0.00 O ATOM 8782 C3* G B 409 63.357 59.293 -45.858 1.00 0.00 C ATOM 8783 O3* G B 409 62.978 60.630 -45.966 1.00 0.00 O ATOM 8784 C2* G B 409 62.163 58.338 -45.867 1.00 0.00 C ATOM 8785 O2* G B 409 61.224 58.718 -46.861 1.00 0.00 O ATOM 8786 C1* G B 409 62.810 57.042 -46.340 1.00 0.00 C ATOM 8787 N9 G B 409 63.243 56.151 -45.229 1.00 0.00 N ATOM 8788 C8 G B 409 64.513 55.889 -44.764 1.00 0.00 C ATOM 8789 N7 G B 409 64.552 55.046 -43.760 1.00 0.00 N ATOM 8790 C5 G B 409 63.213 54.726 -43.542 1.00 0.00 C ATOM 8791 C6 G B 409 62.624 53.861 -42.586 1.00 0.00 C ATOM 8792 O6 G B 409 63.172 53.184 -41.719 1.00 0.00 O ATOM 8793 N1 G B 409 61.229 53.825 -42.717 1.00 0.00 N ATOM 8794 C2 G B 409 60.498 54.538 -43.649 1.00 0.00 C ATOM 8795 N2 G B 409 59.174 54.369 -43.611 1.00 0.00 N ATOM 8796 N3 G B 409 61.050 55.351 -44.546 1.00 0.00 N ATOM 8797 C4 G B 409 62.405 55.394 -44.433 1.00 0.00 C ATOM 8798 P G B 410 62.908 61.536 -44.609 1.00 0.00 P ATOM 8799 O1P G B 410 62.854 62.973 -44.961 1.00 0.00 O ATOM 8800 O2P G B 410 63.998 61.138 -43.693 1.00 0.00 O ATOM 8801 O5* G B 410 61.499 61.073 -44.009 1.00 0.00 O ATOM 8802 C5* G B 410 60.305 61.285 -44.788 1.00 0.00 C ATOM 8803 C4* G B 410 59.115 60.662 -44.090 1.00 0.00 C ATOM 8804 O4* G B 410 59.263 59.212 -44.104 1.00 0.00 O ATOM 8805 C3* G B 410 58.958 61.000 -42.606 1.00 0.00 C ATOM 8806 O3* G B 410 58.298 62.215 -42.425 1.00 0.00 O ATOM 8807 C2* G B 410 58.156 59.808 -42.089 1.00 0.00 C ATOM 8808 O2* G B 410 56.793 59.922 -42.461 1.00 0.00 O ATOM 8809 C1* G B 410 58.745 58.663 -42.903 1.00 0.00 C ATOM 8810 N9 G B 410 59.852 57.944 -42.212 1.00 0.00 N ATOM 8811 C8 G B 410 61.208 57.996 -42.455 1.00 0.00 C ATOM 8812 N7 G B 410 61.920 57.233 -41.659 1.00 0.00 N ATOM 8813 C5 G B 410 60.972 56.638 -40.830 1.00 0.00 C ATOM 8814 C6 G B 410 61.135 55.714 -39.769 1.00 0.00 C ATOM 8815 O6 G B 410 62.170 55.218 -39.329 1.00 0.00 O ATOM 8816 N1 G B 410 59.904 55.368 -39.193 1.00 0.00 N ATOM 8817 C2 G B 410 58.672 55.850 -39.597 1.00 0.00 C ATOM 8818 N2 G B 410 57.617 55.399 -38.920 1.00 0.00 N ATOM 8819 N3 G B 410 58.519 56.720 -40.594 1.00 0.00 N ATOM 8820 C4 G B 410 59.705 57.068 -41.159 1.00 0.00 C ATOM 8821 P G B 411 59.636 63.447 -41.859 1.00 0.00 P ATOM 8822 O1P G B 411 59.206 64.821 -42.217 1.00 0.00 O ATOM 8823 O2P G B 411 60.952 63.035 -42.383 1.00 0.00 O ATOM 8824 O5* G B 411 59.611 63.264 -39.995 1.00 0.00 O ATOM 8825 C5* G B 411 60.313 63.151 -38.676 1.00 0.00 C ATOM 8826 C4* G B 411 59.849 63.826 -37.211 1.00 0.00 C ATOM 8827 O4* G B 411 59.081 62.980 -36.300 1.00 0.00 O ATOM 8828 C3* G B 411 60.826 64.559 -36.289 1.00 0.00 C ATOM 8829 O3* G B 411 62.330 64.806 -36.407 1.00 0.00 O ATOM 8830 C2* G B 411 59.983 64.780 -35.033 1.00 0.00 C ATOM 8831 O2* G B 411 59.059 65.840 -35.235 1.00 0.00 O ATOM 8832 C1* G B 411 59.169 63.487 -34.977 1.00 0.00 C ATOM 8833 N9 G B 411 59.827 62.283 -33.990 1.00 0.00 N ATOM 8834 C8 G B 411 59.781 60.908 -34.142 1.00 0.00 C ATOM 8835 N7 G B 411 60.470 60.253 -33.238 1.00 0.00 N ATOM 8836 C5 G B 411 61.008 61.259 -32.437 1.00 0.00 C ATOM 8837 C6 G B 411 61.850 61.165 -31.294 1.00 0.00 C ATOM 8838 O6 G B 411 62.299 60.164 -30.747 1.00 0.00 O ATOM 8839 N1 G B 411 62.154 62.435 -30.789 1.00 0.00 N ATOM 8840 C2 G B 411 61.719 63.634 -31.309 1.00 0.00 C ATOM 8841 N2 G B 411 62.134 64.741 -30.680 1.00 0.00 N ATOM 8842 N3 G B 411 60.933 63.716 -32.381 1.00 0.00 N ATOM 8843 C4 G B 411 60.619 62.500 -32.890 1.00 0.00 C ATOM 8844 P A B 412 63.427 64.529 -34.932 1.00 0.00 P ATOM 8845 O1P A B 412 64.779 65.069 -35.202 1.00 0.00 O ATOM 8846 O2P A B 412 63.364 63.096 -34.572 1.00 0.00 O ATOM 8847 O5* A B 412 62.628 65.616 -33.654 1.00 0.00 O ATOM 8848 C5* A B 412 63.063 66.445 -32.498 1.00 0.00 C ATOM 8849 C4* A B 412 62.001 67.302 -31.552 1.00 0.00 C ATOM 8850 O4* A B 412 60.610 67.242 -31.991 1.00 0.00 O ATOM 8851 C3* A B 412 61.904 67.211 -30.027 1.00 0.00 C ATOM 8852 O3* A B 412 63.241 67.195 -29.157 1.00 0.00 O ATOM 8853 C2* A B 412 60.626 67.988 -29.736 1.00 0.00 C ATOM 8854 O2* A B 412 60.859 69.386 -29.834 1.00 0.00 O ATOM 8855 C1* A B 412 59.750 67.603 -30.921 1.00 0.00 C ATOM 8856 N9 A B 412 58.689 66.305 -30.626 1.00 0.00 N ATOM 8857 C8 A B 412 58.989 64.964 -30.502 1.00 0.00 C ATOM 8858 N7 A B 412 57.945 64.193 -30.471 1.00 0.00 N ATOM 8859 C5 A B 412 56.875 65.070 -30.581 1.00 0.00 C ATOM 8860 C6 A B 412 55.487 64.868 -30.611 1.00 0.00 C ATOM 8861 N6 A B 412 54.910 63.662 -30.526 1.00 0.00 N ATOM 8862 N1 A B 412 54.702 65.957 -30.735 1.00 0.00 N ATOM 8863 C2 A B 412 55.282 67.153 -30.820 1.00 0.00 C ATOM 8864 N3 A B 412 56.560 67.466 -30.797 1.00 0.00 N ATOM 8865 C4 A B 412 57.319 66.355 -30.677 1.00 0.00 C ATOM 8866 P C B 413 63.863 68.285 -27.768 1.00 0.00 P ATOM 8867 O1P C B 413 63.066 69.534 -27.743 1.00 0.00 O ATOM 8868 O2P C B 413 65.332 68.457 -27.745 1.00 0.00 O ATOM 8869 O5* C B 413 63.409 67.334 -26.565 1.00 0.00 O ATOM 8870 C5* C B 413 63.961 67.556 -25.255 1.00 0.00 C ATOM 8871 C4* C B 413 63.302 66.629 -24.251 1.00 0.00 C ATOM 8872 O4* C B 413 61.909 67.021 -24.090 1.00 0.00 O ATOM 8873 C3* C B 413 63.227 65.157 -24.654 1.00 0.00 C ATOM 8874 O3* C B 413 64.407 64.480 -24.346 1.00 0.00 O ATOM 8875 C2* C B 413 62.034 64.662 -23.838 1.00 0.00 C ATOM 8876 O2* C B 413 62.398 64.479 -22.479 1.00 0.00 O ATOM 8877 C1* C B 413 61.105 65.870 -23.889 1.00 0.00 C ATOM 8878 N1 C B 413 60.103 65.808 -24.989 1.00 0.00 N ATOM 8879 C2 C B 413 59.033 64.931 -24.843 1.00 0.00 C ATOM 8880 O2 C B 413 58.958 64.246 -23.819 1.00 0.00 O ATOM 8881 N3 C B 413 58.108 64.860 -25.836 1.00 0.00 N ATOM 8882 C4 C B 413 58.226 65.618 -26.935 1.00 0.00 C ATOM 8883 N4 C B 413 57.299 65.511 -27.873 1.00 0.00 N ATOM 8884 C5 C B 413 59.321 66.527 -27.102 1.00 0.00 C ATOM 8885 C6 C B 413 60.232 66.583 -26.100 1.00 0.00 C ATOM 8886 P C B 414 64.898 63.274 -25.331 1.00 0.00 P ATOM 8887 O1P C B 414 66.315 62.938 -25.062 1.00 0.00 O ATOM 8888 O2P C B 414 64.572 63.617 -26.732 1.00 0.00 O ATOM 8889 O5* C B 414 63.954 62.078 -24.836 1.00 0.00 O ATOM 8890 C5* C B 414 64.042 61.641 -23.467 1.00 0.00 C ATOM 8891 C4* C B 414 62.981 60.597 -23.187 1.00 0.00 C ATOM 8892 O4* C B 414 61.671 61.227 -23.249 1.00 0.00 O ATOM 8893 C3* C B 414 62.888 59.454 -24.201 1.00 0.00 C ATOM 8894 O3* C B 414 63.808 58.447 -23.920 1.00 0.00 O ATOM 8895 C2* C B 414 61.442 58.995 -24.032 1.00 0.00 C ATOM 8896 O2* C B 414 61.293 58.226 -22.850 1.00 0.00 O ATOM 8897 C1* C B 414 60.726 60.321 -23.792 1.00 0.00 C ATOM 8898 N1 C B 414 60.163 60.930 -25.030 1.00 0.00 N ATOM 8899 C2 C B 414 59.021 60.356 -25.576 1.00 0.00 C ATOM 8900 O2 C B 414 58.522 59.371 -25.014 1.00 0.00 O ATOM 8901 N3 C B 414 58.491 60.895 -26.704 1.00 0.00 N ATOM 8902 C4 C B 414 59.062 61.960 -27.280 1.00 0.00 C ATOM 8903 N4 C B 414 58.508 62.451 -28.379 1.00 0.00 N ATOM 8904 C5 C B 414 60.239 62.567 -26.734 1.00 0.00 C ATOM 8905 C6 C B 414 60.749 62.012 -25.609 1.00 0.00 C ATOM 8906 P A B 415 64.475 57.624 -25.167 1.00 0.00 P ATOM 8907 O1P A B 415 65.664 56.875 -24.704 1.00 0.00 O ATOM 8908 O2P A B 415 64.693 58.547 -26.303 1.00 0.00 O ATOM 8909 O5* A B 415 63.294 56.601 -25.515 1.00 0.00 O ATOM 8910 C5* A B 415 62.855 55.668 -24.507 1.00 0.00 C ATOM 8911 C4* A B 415 61.658 54.891 -25.006 1.00 0.00 C ATOM 8912 O4* A B 415 60.526 55.798 -25.130 1.00 0.00 O ATOM 8913 C3* A B 415 61.795 54.281 -26.404 1.00 0.00 C ATOM 8914 O3* A B 415 62.446 53.052 -26.362 1.00 0.00 O ATOM 8915 C2* A B 415 60.336 54.162 -26.844 1.00 0.00 C ATOM 8916 O2* A B 415 59.705 53.064 -26.207 1.00 0.00 O ATOM 8917 C1* A B 415 59.732 55.428 -26.247 1.00 0.00 C ATOM 8918 N9 A B 415 59.700 56.581 -27.193 1.00 0.00 N ATOM 8919 C8 A B 415 60.490 57.707 -27.210 1.00 0.00 C ATOM 8920 N7 A B 415 60.207 58.532 -28.170 1.00 0.00 N ATOM 8921 C5 A B 415 59.164 57.917 -28.843 1.00 0.00 C ATOM 8922 C6 A B 415 58.413 58.291 -29.971 1.00 0.00 C ATOM 8923 N6 A B 415 58.613 59.430 -30.647 1.00 0.00 N ATOM 8924 N1 A B 415 57.445 57.450 -30.378 1.00 0.00 N ATOM 8925 C2 A B 415 57.250 56.319 -29.699 1.00 0.00 C ATOM 8926 N3 A B 415 57.885 55.867 -28.639 1.00 0.00 N ATOM 8927 C4 A B 415 58.848 56.728 -28.254 1.00 0.00 C ATOM 8928 P U B 416 63.405 52.627 -27.615 1.00 0.00 P ATOM 8929 O1P U B 416 64.275 51.494 -27.233 1.00 0.00 O ATOM 8930 O2P U B 416 64.099 53.828 -28.128 1.00 0.00 O ATOM 8931 O5* U B 416 62.311 52.137 -28.675 1.00 0.00 O ATOM 8932 C5* U B 416 61.455 51.031 -28.338 1.00 0.00 C ATOM 8933 C4* U B 416 60.425 50.819 -29.428 1.00 0.00 C ATOM 8934 O4* U B 416 59.509 51.953 -29.435 1.00 0.00 O ATOM 8935 C3* U B 416 60.966 50.774 -30.857 1.00 0.00 C ATOM 8936 O3* U B 416 61.424 49.500 -31.189 1.00 0.00 O ATOM 8937 C2* U B 416 59.746 51.195 -31.674 1.00 0.00 C ATOM 8938 O2* U B 416 58.819 50.126 -31.777 1.00 0.00 O ATOM 8939 C1* U B 416 59.114 52.245 -30.767 1.00 0.00 C ATOM 8940 N1 U B 416 59.537 53.637 -31.080 1.00 0.00 N ATOM 8941 C2 U B 416 59.005 54.213 -32.209 1.00 0.00 C ATOM 8942 O2 U B 416 58.222 53.636 -32.943 1.00 0.00 O ATOM 8943 N3 U B 416 59.420 55.505 -32.464 1.00 0.00 N ATOM 8944 C4 U B 416 60.301 56.252 -31.707 1.00 0.00 C ATOM 8945 O4 U B 416 60.597 57.402 -32.038 1.00 0.00 O ATOM 8946 C5 U B 416 60.805 55.561 -30.543 1.00 0.00 C ATOM 8947 C6 U B 416 60.418 54.303 -30.271 1.00 0.00 C ATOM 8948 P C B 417 61.158 48.165 -32.660 1.00 0.00 P ATOM 8949 O1P C B 417 60.892 46.743 -32.339 1.00 0.00 O ATOM 8950 O2P C B 417 62.425 48.438 -33.375 1.00 0.00 O ATOM 8951 O5* C B 417 59.930 48.769 -33.488 1.00 0.00 O ATOM 8952 C5* C B 417 58.606 48.694 -32.929 1.00 0.00 C ATOM 8953 C4* C B 417 57.624 49.433 -33.815 1.00 0.00 C ATOM 8954 O4* C B 417 57.923 50.859 -33.762 1.00 0.00 O ATOM 8955 C3* C B 417 57.691 49.097 -35.307 1.00 0.00 C ATOM 8956 O3* C B 417 56.947 47.960 -35.610 1.00 0.00 O ATOM 8957 C2* C B 417 57.119 50.363 -35.946 1.00 0.00 C ATOM 8958 O2* C B 417 55.709 50.399 -35.810 1.00 0.00 O ATOM 8959 C1* C B 417 57.679 51.447 -35.029 1.00 0.00 C ATOM 8960 N1 C B 417 58.958 52.038 -35.515 1.00 0.00 N ATOM 8961 C2 C B 417 58.900 52.912 -36.595 1.00 0.00 C ATOM 8962 O2 C B 417 57.801 53.161 -37.105 1.00 0.00 O ATOM 8963 N3 C B 417 60.054 53.461 -37.054 1.00 0.00 N ATOM 8964 C4 C B 417 61.227 53.166 -36.476 1.00 0.00 C ATOM 8965 N4 C B 417 62.324 53.728 -36.959 1.00 0.00 N ATOM 8966 C5 C B 417 61.307 52.271 -35.362 1.00 0.00 C ATOM 8967 C6 C B 417 60.142 51.730 -34.920 1.00 0.00 C ATOM 8968 P C B 418 57.475 46.971 -36.797 1.00 0.00 P ATOM 8969 O1P C B 418 56.781 45.665 -36.722 1.00 0.00 O ATOM 8970 O2P C B 418 58.953 46.916 -36.773 1.00 0.00 O ATOM 8971 O5* C B 418 56.981 47.770 -38.093 1.00 0.00 O ATOM 8972 C5* C B 418 55.575 48.018 -38.270 1.00 0.00 C ATOM 8973 C4* C B 418 55.350 48.891 -39.487 1.00 0.00 C ATOM 8974 O4* C B 418 55.887 50.218 -39.219 1.00 0.00 O ATOM 8975 C3* C B 418 56.071 48.454 -40.763 1.00 0.00 C ATOM 8976 O3* C B 418 55.342 47.484 -41.452 1.00 0.00 O ATOM 8977 C2* C B 418 56.180 49.767 -41.534 1.00 0.00 C ATOM 8978 O2* C B 418 54.935 50.114 -42.117 1.00 0.00 O ATOM 8979 C1* C B 418 56.436 50.763 -40.408 1.00 0.00 C ATOM 8980 N1 C B 418 57.884 51.032 -40.165 1.00 0.00 N ATOM 8981 C2 C B 418 58.560 51.824 -41.087 1.00 0.00 C ATOM 8982 O2 C B 418 57.941 52.270 -42.062 1.00 0.00 O ATOM 8983 N3 C B 418 59.878 52.080 -40.884 1.00 0.00 N ATOM 8984 C4 C B 418 60.512 51.577 -39.818 1.00 0.00 C ATOM 8985 N4 C B 418 61.799 51.857 -39.665 1.00 0.00 N ATOM 8986 C5 C B 418 59.835 50.761 -38.856 1.00 0.00 C ATOM 8987 C6 C B 418 58.519 50.517 -39.080 1.00 0.00 C ATOM 8988 P U B 419 56.152 46.331 -42.273 1.00 0.00 P ATOM 8989 O1P U B 419 55.247 45.211 -42.616 1.00 0.00 O ATOM 8990 O2P U B 419 57.374 45.958 -41.523 1.00 0.00 O ATOM 8991 O5* U B 419 56.556 47.126 -43.600 1.00 0.00 O ATOM 8992 C5* U B 419 55.512 47.663 -44.437 1.00 0.00 C ATOM 8993 C4* U B 419 56.119 48.480 -45.560 1.00 0.00 C ATOM 8994 O4* U B 419 56.731 49.675 -44.993 1.00 0.00 O ATOM 8995 C3* U B 419 57.258 47.813 -46.332 1.00 0.00 C ATOM 8996 O3* U B 419 56.775 46.982 -47.339 1.00 0.00 O ATOM 8997 C2* U B 419 58.020 49.019 -46.877 1.00 0.00 C ATOM 8998 O2* U B 419 57.338 49.589 -47.982 1.00 0.00 O ATOM 8999 C1* U B 419 57.900 50.008 -45.724 1.00 0.00 C ATOM 9000 N1 U B 419 59.055 49.972 -44.783 1.00 0.00 N ATOM 9001 C2 U B 419 60.232 50.536 -45.215 1.00 0.00 C ATOM 9002 O2 U B 419 60.357 51.048 -46.314 1.00 0.00 O ATOM 9003 N3 U B 419 61.279 50.483 -44.315 1.00 0.00 N ATOM 9004 C4 U B 419 61.246 49.931 -43.052 1.00 0.00 C ATOM 9005 O4 U B 419 62.250 49.944 -42.337 1.00 0.00 O ATOM 9006 C5 U B 419 59.969 49.364 -42.687 1.00 0.00 C ATOM 9007 C6 U B 419 58.933 49.402 -43.544 1.00 0.00 C ATOM 9008 P C B 420 57.608 45.627 -47.704 1.00 0.00 P ATOM 9009 O1P C B 420 56.768 44.710 -48.512 1.00 0.00 O ATOM 9010 O2P C B 420 58.183 45.053 -46.467 1.00 0.00 O ATOM 9011 O5* C B 420 58.778 46.231 -48.616 1.00 0.00 O ATOM 9012 C5* C B 420 58.430 46.920 -49.831 1.00 0.00 C ATOM 9013 C4* C B 420 59.674 47.513 -50.464 1.00 0.00 C ATOM 9014 O4* C B 420 60.170 48.583 -49.608 1.00 0.00 O ATOM 9015 C3* C B 420 60.868 46.568 -50.602 1.00 0.00 C ATOM 9016 O3* C B 420 60.775 45.793 -51.758 1.00 0.00 O ATOM 9017 C2* C B 420 62.045 47.541 -50.638 1.00 0.00 C ATOM 9018 O2* C B 420 62.141 48.168 -51.903 1.00 0.00 O ATOM 9019 C1* C B 420 61.590 48.606 -49.644 1.00 0.00 C ATOM 9020 N1 C B 420 62.088 48.386 -48.259 1.00 0.00 N ATOM 9021 C2 C B 420 63.431 48.648 -48.001 1.00 0.00 C ATOM 9022 O2 C B 420 64.147 49.053 -48.927 1.00 0.00 O ATOM 9023 N3 C B 420 63.906 48.455 -46.745 1.00 0.00 N ATOM 9024 C4 C B 420 63.096 48.016 -45.771 1.00 0.00 C ATOM 9025 N4 C B 420 63.609 47.843 -44.559 1.00 0.00 N ATOM 9026 C5 C B 420 61.715 47.739 -46.015 1.00 0.00 C ATOM 9027 C6 C B 420 61.258 47.940 -47.276 1.00 0.00 C ATOM 9028 P C B 421 61.359 44.270 -51.729 1.00 0.00 P ATOM 9029 O1P C B 421 60.852 43.505 -52.890 1.00 0.00 O ATOM 9030 O2P C B 421 61.106 43.668 -50.401 1.00 0.00 O ATOM 9031 O5* C B 421 62.925 44.545 -51.909 1.00 0.00 O ATOM 9032 C5* C B 421 63.387 45.211 -53.100 1.00 0.00 C ATOM 9033 C4* C B 421 64.874 45.480 -53.003 1.00 0.00 C ATOM 9034 O4* C B 421 65.108 46.471 -51.960 1.00 0.00 O ATOM 9035 C3* C B 421 65.738 44.292 -52.578 1.00 0.00 C ATOM 9036 O3* C B 421 66.062 43.480 -53.664 1.00 0.00 O ATOM 9037 C2* C B 421 66.960 44.983 -51.977 1.00 0.00 C ATOM 9038 O2* C B 421 67.803 45.492 -52.994 1.00 0.00 O ATOM 9039 C1* C B 421 66.323 46.186 -51.288 1.00 0.00 C ATOM 9040 N1 C B 421 66.009 45.955 -49.849 1.00 0.00 N ATOM 9041 C2 C B 421 67.068 45.939 -48.947 1.00 0.00 C ATOM 9042 O2 C B 421 68.216 46.116 -49.371 1.00 0.00 O ATOM 9043 N3 C B 421 66.804 45.731 -47.634 1.00 0.00 N ATOM 9044 C4 C B 421 65.546 45.542 -47.210 1.00 0.00 C ATOM 9045 N4 C B 421 65.342 45.343 -45.917 1.00 0.00 N ATOM 9046 C5 C B 421 64.442 45.555 -48.122 1.00 0.00 C ATOM 9047 C6 C B 421 64.729 45.765 -49.432 1.00 0.00 C ATOM 9048 P A B 422 64.712 42.617 -54.580 1.00 0.00 P ATOM 9049 O1P A B 422 65.288 41.731 -55.617 1.00 0.00 O ATOM 9050 O2P A B 422 63.685 43.571 -55.048 1.00 0.00 O ATOM 9051 O5* A B 422 64.077 41.659 -53.151 1.00 0.00 O ATOM 9052 C5* A B 422 62.844 40.889 -53.063 1.00 0.00 C ATOM 9053 C4* A B 422 62.495 40.175 -51.642 1.00 0.00 C ATOM 9054 O4* A B 422 63.616 39.696 -50.844 1.00 0.00 O ATOM 9055 C3* A B 422 61.528 40.758 -50.607 1.00 0.00 C ATOM 9056 O3* A B 422 60.076 41.034 -51.012 1.00 0.00 O ATOM 9057 C2* A B 422 61.706 39.797 -49.432 1.00 0.00 C ATOM 9058 O2* A B 422 61.033 38.574 -49.671 1.00 0.00 O ATOM 9059 C1* A B 422 63.198 39.498 -49.498 1.00 0.00 C ATOM 9060 N9 A B 422 64.146 40.456 -48.506 1.00 0.00 N ATOM 9061 C8 A B 422 65.508 40.638 -48.544 1.00 0.00 C ATOM 9062 N7 A B 422 65.973 41.331 -47.549 1.00 0.00 N ATOM 9063 C5 A B 422 64.849 41.630 -46.791 1.00 0.00 C ATOM 9064 C6 A B 422 64.675 42.348 -45.598 1.00 0.00 C ATOM 9065 N6 A B 422 65.685 42.916 -44.924 1.00 0.00 N ATOM 9066 N1 A B 422 63.423 42.456 -45.118 1.00 0.00 N ATOM 9067 C2 A B 422 62.425 41.885 -45.790 1.00 0.00 C ATOM 9068 N3 A B 422 62.465 41.192 -46.909 1.00 0.00 N ATOM 9069 C4 A B 422 63.731 41.098 -47.368 1.00 0.00 C ATOM 9070 P A B 423 58.899 41.507 -49.692 1.00 0.00 P ATOM 9071 O1P A B 423 58.903 42.960 -49.414 1.00 0.00 O ATOM 9072 O2P A B 423 58.973 40.626 -48.503 1.00 0.00 O ATOM 9073 O5* A B 423 57.533 41.075 -50.806 1.00 0.00 O ATOM 9074 C5* A B 423 57.720 40.418 -52.059 1.00 0.00 C ATOM 9075 C4* A B 423 56.723 39.151 -52.229 1.00 0.00 C ATOM 9076 O4* A B 423 55.384 39.516 -52.658 1.00 0.00 O ATOM 9077 C3* A B 423 57.073 37.939 -53.093 1.00 0.00 C ATOM 9078 O3* A B 423 58.454 37.155 -53.208 1.00 0.00 O ATOM 9079 C2* A B 423 55.726 37.228 -53.204 1.00 0.00 C ATOM 9080 O2* A B 423 55.423 36.536 -52.007 1.00 0.00 O ATOM 9081 C1* A B 423 54.763 38.405 -53.290 1.00 0.00 C ATOM 9082 N9 A B 423 54.338 38.858 -54.871 1.00 0.00 N ATOM 9083 C8 A B 423 54.155 40.127 -55.378 1.00 0.00 C ATOM 9084 N7 A B 423 53.670 40.148 -56.582 1.00 0.00 N ATOM 9085 C5 A B 423 53.521 38.808 -56.903 1.00 0.00 C ATOM 9086 C6 A B 423 53.047 38.159 -58.056 1.00 0.00 C ATOM 9087 N6 A B 423 52.616 38.809 -59.144 1.00 0.00 N ATOM 9088 N1 A B 423 53.027 36.815 -58.047 1.00 0.00 N ATOM 9089 C2 A B 423 53.453 36.173 -56.962 1.00 0.00 C ATOM 9090 N3 A B 423 53.920 36.668 -55.838 1.00 0.00 N ATOM 9091 C4 A B 423 53.926 38.016 -55.868 1.00 0.00 C ATOM 9092 P G B 424 60.459 37.945 -53.819 1.00 0.00 P ATOM 9093 O1P G B 424 60.748 36.653 -53.154 1.00 0.00 O ATOM 9094 O2P G B 424 59.937 39.015 -52.939 1.00 0.00 O ATOM 9095 O5* G B 424 59.457 37.716 -55.042 1.00 0.00 O ATOM 9096 C5* G B 424 58.113 38.219 -54.950 1.00 0.00 C ATOM 9097 C4* G B 424 57.385 38.002 -56.261 1.00 0.00 C ATOM 9098 O4* G B 424 57.987 38.854 -57.280 1.00 0.00 O ATOM 9099 C3* G B 424 57.484 36.597 -56.853 1.00 0.00 C ATOM 9100 O3* G B 424 56.529 35.741 -56.304 1.00 0.00 O ATOM 9101 C2* G B 424 57.253 36.859 -58.341 1.00 0.00 C ATOM 9102 O2* G B 424 55.880 37.090 -58.604 1.00 0.00 O ATOM 9103 C1* G B 424 57.972 38.191 -58.532 1.00 0.00 C ATOM 9104 N9 G B 424 59.379 38.048 -58.994 1.00 0.00 N ATOM 9105 C8 G B 424 60.551 38.227 -58.287 1.00 0.00 C ATOM 9106 N7 G B 424 61.635 38.021 -58.995 1.00 0.00 N ATOM 9107 C5 G B 424 61.151 37.686 -60.258 1.00 0.00 C ATOM 9108 C6 G B 424 61.851 37.356 -61.447 1.00 0.00 C ATOM 9109 O6 G B 424 63.064 37.292 -61.635 1.00 0.00 O ATOM 9110 N1 G B 424 60.969 37.081 -62.500 1.00 0.00 N ATOM 9111 C2 G B 424 59.591 37.120 -62.416 1.00 0.00 C ATOM 9112 N2 G B 424 58.926 36.825 -63.537 1.00 0.00 N ATOM 9113 N3 G B 424 58.936 37.430 -61.301 1.00 0.00 N ATOM 9114 C4 G B 424 59.776 37.699 -60.267 1.00 0.00 C ATOM 9115 P G B 425 56.908 34.166 -56.108 1.00 0.00 P ATOM 9116 O1P G B 425 55.940 33.517 -55.195 1.00 0.00 O ATOM 9117 O2P G B 425 58.333 34.045 -55.722 1.00 0.00 O ATOM 9118 O5* G B 425 56.701 33.617 -57.596 1.00 0.00 O ATOM 9119 C5* G B 425 55.401 33.724 -58.202 1.00 0.00 C ATOM 9120 C4* G B 425 55.465 33.262 -59.644 1.00 0.00 C ATOM 9121 O4* G B 425 56.260 34.211 -60.410 1.00 0.00 O ATOM 9122 C3* G B 425 56.156 31.920 -59.886 1.00 0.00 C ATOM 9123 O3* G B 425 55.287 30.849 -59.692 1.00 0.00 O ATOM 9124 C2* G B 425 56.612 32.052 -61.338 1.00 0.00 C ATOM 9125 O2* G B 425 55.521 31.874 -62.224 1.00 0.00 O ATOM 9126 C1* G B 425 57.003 33.527 -61.405 1.00 0.00 C ATOM 9127 N9 G B 425 58.449 33.775 -61.154 1.00 0.00 N ATOM 9128 C8 G B 425 59.061 34.302 -60.037 1.00 0.00 C ATOM 9129 N7 G B 425 60.366 34.388 -60.135 1.00 0.00 N ATOM 9130 C5 G B 425 60.637 33.885 -61.404 1.00 0.00 C ATOM 9131 C6 G B 425 61.875 33.722 -62.077 1.00 0.00 C ATOM 9132 O6 G B 425 63.006 34.000 -61.688 1.00 0.00 O ATOM 9133 N1 G B 425 61.695 33.172 -63.354 1.00 0.00 N ATOM 9134 C2 G B 425 60.478 32.821 -63.908 1.00 0.00 C ATOM 9135 N2 G B 425 60.520 32.307 -65.138 1.00 0.00 N ATOM 9136 N3 G B 425 59.319 32.969 -63.273 1.00 0.00 N ATOM 9137 C4 G B 425 59.476 33.507 -62.034 1.00 0.00 C ATOM 9138 P C B 426 55.881 29.454 -59.086 1.00 0.00 P ATOM 9139 O1P C B 426 54.777 28.591 -58.614 1.00 0.00 O ATOM 9140 O2P C B 426 56.933 29.760 -58.090 1.00 0.00 O ATOM 9141 O5* C B 426 56.544 28.816 -60.396 1.00 0.00 O ATOM 9142 C5* C B 426 55.709 28.524 -61.530 1.00 0.00 C ATOM 9143 C4* C B 426 56.560 28.050 -62.692 1.00 0.00 C ATOM 9144 O4* C B 426 57.376 29.159 -63.163 1.00 0.00 O ATOM 9145 C3* C B 426 57.577 26.954 -62.366 1.00 0.00 C ATOM 9146 O3* C B 426 56.994 25.688 -62.409 1.00 0.00 O ATOM 9147 C2* C B 426 58.624 27.159 -63.460 1.00 0.00 C ATOM 9148 O2* C B 426 58.165 26.645 -64.698 1.00 0.00 O ATOM 9149 C1* C B 426 58.642 28.678 -63.587 1.00 0.00 C ATOM 9150 N1 C B 426 59.688 29.335 -62.756 1.00 0.00 N ATOM 9151 C2 C B 426 61.010 29.236 -63.180 1.00 0.00 C ATOM 9152 O2 C B 426 61.259 28.612 -64.216 1.00 0.00 O ATOM 9153 N3 C B 426 61.980 29.827 -62.437 1.00 0.00 N ATOM 9154 C4 C B 426 61.669 30.495 -61.319 1.00 0.00 C ATOM 9155 N4 C B 426 62.651 31.057 -60.629 1.00 0.00 N ATOM 9156 C5 C B 426 60.314 30.611 -60.865 1.00 0.00 C ATOM 9157 C6 C B 426 59.362 30.012 -61.621 1.00 0.00 C ATOM 9158 P U B 427 57.531 24.543 -61.377 1.00 0.00 P ATOM 9159 O1P U B 427 56.572 23.419 -61.317 1.00 0.00 O ATOM 9160 O2P U B 427 57.874 25.169 -60.083 1.00 0.00 O ATOM 9161 O5* U B 427 58.869 24.073 -62.123 1.00 0.00 O ATOM 9162 C5* U B 427 58.774 23.516 -63.444 1.00 0.00 C ATOM 9163 C4* U B 427 60.157 23.259 -64.004 1.00 0.00 C ATOM 9164 O4* U B 427 60.815 24.539 -64.233 1.00 0.00 O ATOM 9165 C3* U B 427 61.118 22.510 -63.081 1.00 0.00 C ATOM 9166 O3* U B 427 60.942 21.132 -63.168 1.00 0.00 O ATOM 9167 C2* U B 427 62.481 22.963 -63.601 1.00 0.00 C ATOM 9168 O2* U B 427 62.806 22.297 -64.811 1.00 0.00 O ATOM 9169 C1* U B 427 62.203 24.420 -63.959 1.00 0.00 C ATOM 9170 N1 U B 427 62.540 25.378 -62.870 1.00 0.00 N ATOM 9171 C2 U B 427 63.871 25.629 -62.644 1.00 0.00 C ATOM 9172 O2 U B 427 64.762 25.105 -63.292 1.00 0.00 O ATOM 9173 N3 U B 427 64.143 26.521 -61.625 1.00 0.00 N ATOM 9174 C4 U B 427 63.219 27.169 -60.834 1.00 0.00 C ATOM 9175 O4 U B 427 63.582 27.948 -59.950 1.00 0.00 O ATOM 9176 C5 U B 427 61.847 26.839 -61.142 1.00 0.00 C ATOM 9177 C6 U B 427 61.553 25.974 -62.129 1.00 0.00 C ATOM 9178 P A B 428 61.724 19.635 -62.268 1.00 0.00 P ATOM 9179 O1P A B 428 60.871 18.467 -62.576 1.00 0.00 O ATOM 9180 O2P A B 428 61.764 20.057 -60.855 1.00 0.00 O ATOM 9181 O5* A B 428 63.477 19.082 -62.805 1.00 0.00 O ATOM 9182 C5* A B 428 64.924 18.522 -62.633 1.00 0.00 C ATOM 9183 C4* A B 428 65.569 16.936 -62.768 1.00 0.00 C ATOM 9184 O4* A B 428 64.749 16.298 -63.785 1.00 0.00 O ATOM 9185 C3* A B 428 66.922 16.232 -62.891 1.00 0.00 C ATOM 9186 O3* A B 428 68.515 16.393 -62.582 1.00 0.00 O ATOM 9187 C2* A B 428 66.508 14.800 -63.229 1.00 0.00 C ATOM 9188 O2* A B 428 66.040 14.128 -62.071 1.00 0.00 O ATOM 9189 C1* A B 428 65.298 15.032 -64.126 1.00 0.00 C ATOM 9190 N9 A B 428 65.632 15.029 -65.748 1.00 0.00 N ATOM 9191 C8 A B 428 64.882 15.562 -66.778 1.00 0.00 C ATOM 9192 N7 A B 428 65.494 15.574 -67.920 1.00 0.00 N ATOM 9193 C5 A B 428 66.738 15.021 -67.642 1.00 0.00 C ATOM 9194 C6 A B 428 67.856 14.757 -68.445 1.00 0.00 C ATOM 9195 N6 A B 428 67.910 15.034 -69.758 1.00 0.00 N ATOM 9196 N1 A B 428 68.930 14.202 -67.853 1.00 0.00 N ATOM 9197 C2 A B 428 68.871 13.928 -66.549 1.00 0.00 C ATOM 9198 N3 A B 428 67.889 14.130 -65.703 1.00 0.00 N ATOM 9199 C4 A B 428 66.827 14.688 -66.324 1.00 0.00 C ATOM 9200 P A B 429 70.025 15.394 -63.352 1.00 0.00 P ATOM 9201 O1P A B 429 70.300 16.018 -64.663 1.00 0.00 O ATOM 9202 O2P A B 429 69.593 13.979 -63.392 1.00 0.00 O ATOM 9203 O5* A B 429 71.827 15.654 -62.525 1.00 0.00 O ATOM 9204 C5* A B 429 73.238 16.279 -61.860 1.00 0.00 C ATOM 9205 C4* A B 429 74.994 15.996 -61.281 1.00 0.00 C ATOM 9206 O4* A B 429 75.518 17.256 -61.802 1.00 0.00 O ATOM 9207 C3* A B 429 75.497 15.954 -59.840 1.00 0.00 C ATOM 9208 O3* A B 429 75.051 14.293 -58.541 1.00 0.00 O ATOM 9209 C2* A B 429 76.874 16.602 -59.961 1.00 0.00 C ATOM 9210 O2* A B 429 77.809 15.695 -60.525 1.00 0.00 O ATOM 9211 C1* A B 429 76.617 17.679 -61.011 1.00 0.00 C ATOM 9212 N9 A B 429 76.276 19.165 -60.403 1.00 0.00 N ATOM 9213 C8 A B 429 75.543 20.173 -60.984 1.00 0.00 C ATOM 9214 N7 A B 429 75.634 21.309 -60.371 1.00 0.00 N ATOM 9215 C5 A B 429 76.484 21.051 -59.306 1.00 0.00 C ATOM 9216 C6 A B 429 76.975 21.861 -58.267 1.00 0.00 C ATOM 9217 N6 A B 429 76.673 23.159 -58.134 1.00 0.00 N ATOM 9218 N1 A B 429 77.798 21.285 -57.376 1.00 0.00 N ATOM 9219 C2 A B 429 78.095 19.996 -57.514 1.00 0.00 C ATOM 9220 N3 A B 429 77.695 19.144 -58.435 1.00 0.00 N ATOM 9221 C4 A B 429 76.877 19.745 -59.320 1.00 0.00 C ATOM 9222 P A B 430 74.862 12.190 -57.595 1.00 0.00 P ATOM 9223 O1P A B 430 75.785 12.302 -56.443 1.00 0.00 O ATOM 9224 O2P A B 430 75.335 11.351 -58.720 1.00 0.00 O ATOM 9225 O5* A B 430 73.433 11.672 -57.096 1.00 0.00 O ATOM 9226 C5* A B 430 72.421 12.637 -56.752 1.00 0.00 C ATOM 9227 C4* A B 430 71.121 11.932 -56.431 1.00 0.00 C ATOM 9228 O4* A B 430 70.597 11.325 -57.649 1.00 0.00 O ATOM 9229 C3* A B 430 71.221 10.761 -55.450 1.00 0.00 C ATOM 9230 O3* A B 430 71.193 11.197 -54.125 1.00 0.00 O ATOM 9231 C2* A B 430 69.999 9.926 -55.823 1.00 0.00 C ATOM 9232 O2* A B 430 68.813 10.511 -55.310 1.00 0.00 O ATOM 9233 C1* A B 430 69.959 10.097 -57.338 1.00 0.00 C ATOM 9234 N9 A B 430 70.659 9.013 -58.081 1.00 0.00 N ATOM 9235 C8 A B 430 71.875 9.050 -58.729 1.00 0.00 C ATOM 9236 N7 A B 430 72.210 7.928 -59.284 1.00 0.00 N ATOM 9237 C5 A B 430 71.152 7.080 -58.992 1.00 0.00 C ATOM 9238 C6 A B 430 70.901 5.733 -59.305 1.00 0.00 C ATOM 9239 N6 A B 430 71.745 4.970 -60.016 1.00 0.00 N ATOM 9240 N1 A B 430 69.752 5.195 -58.857 1.00 0.00 N ATOM 9241 C2 A B 430 68.920 5.958 -58.151 1.00 0.00 C ATOM 9242 N3 A B 430 69.043 7.219 -57.799 1.00 0.00 N ATOM 9243 C4 A B 430 70.203 7.733 -58.256 1.00 0.00 C ATOM 9244 P U B 431 71.917 10.292 -52.550 1.00 0.00 P ATOM 9245 O1P U B 431 70.891 10.602 -51.526 1.00 0.00 O ATOM 9246 O2P U B 431 73.250 10.892 -52.324 1.00 0.00 O ATOM 9247 O5* U B 431 72.164 8.378 -52.337 1.00 0.00 O ATOM 9248 C5* U B 431 72.681 7.275 -51.292 1.00 0.00 C ATOM 9249 C4* U B 431 71.951 5.656 -51.169 1.00 0.00 C ATOM 9250 O4* U B 431 71.092 6.065 -52.267 1.00 0.00 O ATOM 9251 C3* U B 431 72.494 4.293 -51.615 1.00 0.00 C ATOM 9252 O3* U B 431 73.585 3.164 -51.270 1.00 0.00 O ATOM 9253 C2* U B 431 71.298 3.700 -52.355 1.00 0.00 C ATOM 9254 O2* U B 431 70.324 3.233 -51.439 1.00 0.00 O ATOM 9255 C1* U B 431 70.713 4.937 -53.038 1.00 0.00 C ATOM 9256 N1 U B 431 71.220 5.170 -54.566 1.00 0.00 N ATOM 9257 C2 U B 431 71.768 4.090 -55.207 1.00 0.00 C ATOM 9258 O2 U B 431 71.747 2.963 -54.742 1.00 0.00 O ATOM 9259 N3 U B 431 72.351 4.356 -56.432 1.00 0.00 N ATOM 9260 C4 U B 431 72.430 5.589 -57.049 1.00 0.00 C ATOM 9261 O4 U B 431 72.979 5.707 -58.147 1.00 0.00 O ATOM 9262 C5 U B 431 71.824 6.662 -56.298 1.00 0.00 C ATOM 9263 C6 U B 431 71.250 6.432 -55.107 1.00 0.00 C ATOM 9264 P A B 432 73.155 1.322 -51.040 1.00 0.00 P ATOM 9265 O1P A B 432 72.596 0.612 -52.215 1.00 0.00 O ATOM 9266 O2P A B 432 72.292 1.359 -49.838 1.00 0.00 O ATOM 9267 O5* A B 432 74.774 0.316 -50.910 1.00 0.00 O ATOM 9268 C5* A B 432 75.363 -1.050 -51.385 1.00 0.00 C ATOM 9269 C4* A B 432 76.963 -1.573 -51.042 1.00 0.00 C ATOM 9270 O4* A B 432 77.120 -0.788 -49.822 1.00 0.00 O ATOM 9271 C3* A B 432 77.569 -2.931 -50.678 1.00 0.00 C ATOM 9272 O3* A B 432 78.261 -4.200 -51.533 1.00 0.00 O ATOM 9273 C2* A B 432 78.727 -2.532 -49.772 1.00 0.00 C ATOM 9274 O2* A B 432 79.812 -2.027 -50.529 1.00 0.00 O ATOM 9275 C1* A B 432 78.130 -1.356 -49.008 1.00 0.00 C ATOM 9276 N9 A B 432 77.440 -1.763 -47.507 1.00 0.00 N ATOM 9277 C8 A B 432 77.890 -2.675 -46.575 1.00 0.00 C ATOM 9278 N7 A B 432 77.233 -2.646 -45.468 1.00 0.00 N ATOM 9279 C5 A B 432 76.286 -1.651 -45.657 1.00 0.00 C ATOM 9280 C6 A B 432 75.295 -1.124 -44.817 1.00 0.00 C ATOM 9281 N6 A B 432 75.069 -1.551 -43.563 1.00 0.00 N ATOM 9282 N1 A B 432 74.524 -0.136 -45.312 1.00 0.00 N ATOM 9283 C2 A B 432 74.761 0.294 -46.535 1.00 0.00 C ATOM 9284 N3 A B 432 75.654 -0.113 -47.404 1.00 0.00 N ATOM 9285 C4 A B 432 76.410 -1.102 -46.883 1.00 0.00 C ATOM 9286 P C B 433 78.341 -6.105 -51.340 1.00 0.00 P ATOM 9287 O1P C B 433 79.454 -6.726 -50.585 1.00 0.00 O ATOM 9288 O2P C B 433 77.966 -6.776 -52.604 1.00 0.00 O ATOM 9289 O5* C B 433 77.057 -5.972 -50.396 1.00 0.00 O ATOM 9290 C5* C B 433 76.681 -4.672 -49.905 1.00 0.00 C ATOM 9291 C4* C B 433 75.374 -4.762 -49.142 1.00 0.00 C ATOM 9292 O4* C B 433 74.304 -5.085 -50.074 1.00 0.00 O ATOM 9293 C3* C B 433 75.293 -5.869 -48.091 1.00 0.00 C ATOM 9294 O3* C B 433 75.853 -5.468 -46.880 1.00 0.00 O ATOM 9295 C2* C B 433 73.789 -6.108 -47.993 1.00 0.00 C ATOM 9296 O2* C B 433 73.162 -5.079 -47.246 1.00 0.00 O ATOM 9297 C1* C B 433 73.355 -5.929 -49.445 1.00 0.00 C ATOM 9298 N1 C B 433 73.292 -7.204 -50.211 1.00 0.00 N ATOM 9299 C2 C B 433 72.230 -8.068 -49.948 1.00 0.00 C ATOM 9300 O2 C B 433 71.394 -7.742 -49.099 1.00 0.00 O ATOM 9301 N3 C B 433 72.156 -9.235 -50.638 1.00 0.00 N ATOM 9302 C4 C B 433 73.083 -9.550 -51.551 1.00 0.00 C ATOM 9303 N4 C B 433 72.962 -10.700 -52.196 1.00 0.00 N ATOM 9304 C5 C B 433 74.181 -8.676 -51.835 1.00 0.00 C ATOM 9305 C6 C B 433 74.238 -7.515 -51.137 1.00 0.00 C ATOM 9306 P U B 434 76.618 -6.580 -45.961 1.00 0.00 P ATOM 9307 O1P U B 434 77.445 -5.911 -44.931 1.00 0.00 O ATOM 9308 O2P U B 434 77.330 -7.538 -46.840 1.00 0.00 O ATOM 9309 O5* U B 434 75.372 -7.305 -45.269 1.00 0.00 O ATOM 9310 C5* U B 434 74.486 -6.531 -44.439 1.00 0.00 C ATOM 9311 C4* U B 434 73.315 -7.382 -43.992 1.00 0.00 C ATOM 9312 O4* U B 434 72.493 -7.696 -45.151 1.00 0.00 O ATOM 9313 C3* U B 434 73.673 -8.753 -43.413 1.00 0.00 C ATOM 9314 O3* U B 434 73.991 -8.666 -42.061 1.00 0.00 O ATOM 9315 C2* U B 434 72.394 -9.548 -43.668 1.00 0.00 C ATOM 9316 O2* U B 434 71.387 -9.195 -42.734 1.00 0.00 O ATOM 9317 C1* U B 434 71.955 -9.003 -45.023 1.00 0.00 C ATOM 9318 N1 U B 434 72.437 -9.813 -46.178 1.00 0.00 N ATOM 9319 C2 U B 434 71.815 -11.017 -46.398 1.00 0.00 C ATOM 9320 O2 U B 434 70.906 -11.433 -45.701 1.00 0.00 O ATOM 9321 N3 U B 434 72.286 -11.739 -47.479 1.00 0.00 N ATOM 9322 C4 U B 434 73.303 -11.366 -48.330 1.00 0.00 C ATOM 9323 O4 U B 434 73.638 -12.099 -49.265 1.00 0.00 O ATOM 9324 C5 U B 434 73.897 -10.088 -48.018 1.00 0.00 C ATOM 9325 C6 U B 434 73.457 -9.364 -46.976 1.00 0.00 C ATOM 9326 P C B 435 73.131 -8.658 -40.461 1.00 0.00 P ATOM 9327 O1P C B 435 71.658 -8.675 -40.581 1.00 0.00 O ATOM 9328 O2P C B 435 73.690 -7.680 -39.499 1.00 0.00 O ATOM 9329 O5* C B 435 74.003 -10.206 -40.168 1.00 0.00 O ATOM 9330 C5* C B 435 74.599 -10.829 -41.308 1.00 0.00 C ATOM 9331 C4* C B 435 74.168 -12.338 -41.181 1.00 0.00 C ATOM 9332 O4* C B 435 75.178 -13.356 -41.418 1.00 0.00 O ATOM 9333 C3* C B 435 73.255 -12.968 -40.128 1.00 0.00 C ATOM 9334 O3* C B 435 71.651 -12.650 -40.404 1.00 0.00 O ATOM 9335 C2* C B 435 73.257 -14.439 -40.540 1.00 0.00 C ATOM 9336 O2* C B 435 72.426 -14.643 -41.671 1.00 0.00 O ATOM 9337 C1* C B 435 74.699 -14.625 -41.005 1.00 0.00 C ATOM 9338 N1 C B 435 75.762 -15.242 -39.810 1.00 0.00 N ATOM 9339 C2 C B 435 75.351 -16.363 -39.093 1.00 0.00 C ATOM 9340 O2 C B 435 74.224 -16.821 -39.297 1.00 0.00 O ATOM 9341 N3 C B 435 76.209 -16.914 -38.192 1.00 0.00 N ATOM 9342 C4 C B 435 77.424 -16.383 -37.997 1.00 0.00 C ATOM 9343 N4 C B 435 78.222 -16.958 -37.109 1.00 0.00 N ATOM 9344 C5 C B 435 77.865 -15.232 -38.725 1.00 0.00 C ATOM 9345 C6 C B 435 76.998 -14.697 -39.620 1.00 0.00 C ATOM 9346 P C B 436 70.372 -11.257 -39.317 1.00 0.00 P ATOM 9347 O1P C B 436 69.625 -10.466 -40.323 1.00 0.00 O ATOM 9348 O2P C B 436 71.845 -11.099 -39.340 1.00 0.00 O ATOM 9349 O5* C B 436 69.993 -12.807 -39.455 1.00 0.00 O ATOM 9350 C5* C B 436 68.861 -13.314 -38.725 1.00 0.00 C ATOM 9351 C4* C B 436 68.612 -14.761 -39.097 1.00 0.00 C ATOM 9352 O4* C B 436 68.163 -14.820 -40.483 1.00 0.00 O ATOM 9353 C3* C B 436 69.836 -15.679 -39.065 1.00 0.00 C ATOM 9354 O3* C B 436 70.082 -16.161 -37.782 1.00 0.00 O ATOM 9355 C2* C B 436 69.433 -16.781 -40.043 1.00 0.00 C ATOM 9356 O2* C B 436 68.503 -17.670 -39.443 1.00 0.00 O ATOM 9357 C1* C B 436 68.671 -15.992 -41.102 1.00 0.00 C ATOM 9358 N1 C B 436 69.515 -15.572 -42.257 1.00 0.00 N ATOM 9359 C2 C B 436 69.884 -16.548 -43.179 1.00 0.00 C ATOM 9360 O2 C B 436 69.500 -17.709 -43.004 1.00 0.00 O ATOM 9361 N3 C B 436 70.653 -16.186 -44.237 1.00 0.00 N ATOM 9362 C4 C B 436 71.048 -14.915 -44.392 1.00 0.00 C ATOM 9363 N4 C B 436 71.797 -14.613 -45.441 1.00 0.00 N ATOM 9364 C5 C B 436 70.680 -13.897 -43.454 1.00 0.00 C ATOM 9365 C6 C B 436 69.910 -14.280 -42.403 1.00 0.00 C ATOM 9366 P U B 437 71.627 -16.412 -37.320 1.00 0.00 P ATOM 9367 O1P U B 437 71.706 -16.558 -35.850 1.00 0.00 O ATOM 9368 O2P U B 437 72.493 -15.364 -37.908 1.00 0.00 O ATOM 9369 O5* U B 437 71.926 -17.817 -38.023 1.00 0.00 O ATOM 9370 C5* U B 437 71.129 -18.961 -37.663 1.00 0.00 C ATOM 9371 C4* U B 437 71.496 -20.146 -38.532 1.00 0.00 C ATOM 9372 O4* U B 437 71.080 -19.873 -39.901 1.00 0.00 O ATOM 9373 C3* U B 437 72.992 -20.442 -38.658 1.00 0.00 C ATOM 9374 O3* U B 437 73.450 -21.216 -37.594 1.00 0.00 O ATOM 9375 C2* U B 437 73.062 -21.178 -39.994 1.00 0.00 C ATOM 9376 O2* U B 437 72.604 -22.512 -39.857 1.00 0.00 O ATOM 9377 C1* U B 437 72.012 -20.431 -40.811 1.00 0.00 C ATOM 9378 N1 U B 437 72.573 -19.323 -41.636 1.00 0.00 N ATOM 9379 C2 U B 437 73.278 -19.676 -42.761 1.00 0.00 C ATOM 9380 O2 U B 437 73.456 -20.836 -43.095 1.00 0.00 O ATOM 9381 N3 U B 437 73.780 -18.623 -43.500 1.00 0.00 N ATOM 9382 C4 U B 437 73.641 -17.280 -43.212 1.00 0.00 C ATOM 9383 O4 U B 437 74.138 -16.427 -43.951 1.00 0.00 O ATOM 9384 C5 U B 437 72.886 -17.010 -42.012 1.00 0.00 C ATOM 9385 C6 U B 437 72.385 -18.015 -41.274 1.00 0.00 C ATOM 9386 P G B 438 74.972 -20.978 -37.049 1.00 0.00 P ATOM 9387 O1P G B 438 75.143 -21.606 -35.719 1.00 0.00 O ATOM 9388 O2P G B 438 75.304 -19.538 -37.129 1.00 0.00 O ATOM 9389 O5* G B 438 75.810 -21.790 -38.143 1.00 0.00 O ATOM 9390 C5* G B 438 75.574 -23.202 -38.299 1.00 0.00 C ATOM 9391 C4* G B 438 76.380 -23.738 -39.465 1.00 0.00 C ATOM 9392 O4* G B 438 75.850 -23.180 -40.701 1.00 0.00 O ATOM 9393 C3* G B 438 77.858 -23.347 -39.488 1.00 0.00 C ATOM 9394 O3* G B 438 78.626 -24.200 -38.701 1.00 0.00 O ATOM 9395 C2* G B 438 78.194 -23.455 -40.974 1.00 0.00 C ATOM 9396 O2* G B 438 78.340 -24.810 -41.360 1.00 0.00 O ATOM 9397 C1* G B 438 76.908 -22.948 -41.618 1.00 0.00 C ATOM 9398 N9 G B 438 76.930 -21.493 -41.936 1.00 0.00 N ATOM 9399 C8 G B 438 76.294 -20.451 -41.299 1.00 0.00 C ATOM 9400 N7 G B 438 76.524 -19.277 -41.835 1.00 0.00 N ATOM 9401 C5 G B 438 77.376 -19.561 -42.903 1.00 0.00 C ATOM 9402 C6 G B 438 77.969 -18.691 -43.853 1.00 0.00 C ATOM 9403 O6 G B 438 77.863 -17.474 -43.956 1.00 0.00 O ATOM 9404 N1 G B 438 78.765 -19.398 -44.763 1.00 0.00 N ATOM 9405 C2 G B 438 78.963 -20.766 -44.758 1.00 0.00 C ATOM 9406 N2 G B 438 79.761 -21.249 -45.712 1.00 0.00 N ATOM 9407 N3 G B 438 78.409 -21.580 -43.863 1.00 0.00 N ATOM 9408 C4 G B 438 77.631 -20.910 -42.971 1.00 0.00 C ATOM 9409 P A B 439 79.924 -23.596 -37.917 1.00 0.00 P ATOM 9410 O1P A B 439 80.377 -24.537 -36.867 1.00 0.00 O ATOM 9411 O2P A B 439 79.621 -22.220 -37.458 1.00 0.00 O ATOM 9412 O5* A B 439 80.996 -23.547 -39.104 1.00 0.00 O ATOM 9413 C5* A B 439 81.366 -24.775 -39.758 1.00 0.00 C ATOM 9414 C4* A B 439 82.292 -24.483 -40.921 1.00 0.00 C ATOM 9415 O4* A B 439 81.545 -23.775 -41.952 1.00 0.00 O ATOM 9416 C3* A B 439 83.471 -23.556 -40.619 1.00 0.00 C ATOM 9417 O3* A B 439 84.545 -24.259 -40.077 1.00 0.00 O ATOM 9418 C2* A B 439 83.783 -22.977 -41.996 1.00 0.00 C ATOM 9419 O2* A B 439 84.471 -23.923 -42.797 1.00 0.00 O ATOM 9420 C1* A B 439 82.384 -22.826 -42.591 1.00 0.00 C ATOM 9421 N9 A B 439 81.790 -21.478 -42.392 1.00 0.00 N ATOM 9422 C8 A B 439 80.792 -21.088 -41.525 1.00 0.00 C ATOM 9423 N7 A B 439 80.497 -19.826 -41.595 1.00 0.00 N ATOM 9424 C5 A B 439 81.352 -19.334 -42.566 1.00 0.00 C ATOM 9425 C6 A B 439 81.539 -18.049 -43.107 1.00 0.00 C ATOM 9426 N6 A B 439 80.834 -16.976 -42.719 1.00 0.00 N ATOM 9427 N1 A B 439 82.475 -17.911 -44.062 1.00 0.00 N ATOM 9428 C2 A B 439 83.174 -18.979 -44.441 1.00 0.00 C ATOM 9429 N3 A B 439 83.090 -20.219 -44.012 1.00 0.00 N ATOM 9430 C4 A B 439 82.144 -20.334 -43.056 1.00 0.00 C ATOM 9431 P C B 440 85.491 -23.512 -38.973 1.00 0.00 P ATOM 9432 O1P C B 440 86.322 -24.506 -38.259 1.00 0.00 O ATOM 9433 O2P C B 440 84.656 -22.641 -38.118 1.00 0.00 O ATOM 9434 O5* C B 440 86.415 -22.618 -39.924 1.00 0.00 O ATOM 9435 C5* C B 440 87.245 -23.267 -40.903 1.00 0.00 C ATOM 9436 C4* C B 440 87.933 -22.229 -41.767 1.00 0.00 C ATOM 9437 O4* C B 440 86.929 -21.557 -42.585 1.00 0.00 O ATOM 9438 C3* C B 440 88.625 -21.089 -41.021 1.00 0.00 C ATOM 9439 O3* C B 440 89.909 -21.449 -40.612 1.00 0.00 O ATOM 9440 C2* C B 440 88.627 -19.977 -42.067 1.00 0.00 C ATOM 9441 O2* C B 440 89.627 -20.209 -43.045 1.00 0.00 O ATOM 9442 C1* C B 440 87.282 -20.193 -42.748 1.00 0.00 C ATOM 9443 N1 C B 440 86.184 -19.363 -42.181 1.00 0.00 N ATOM 9444 C2 C B 440 86.171 -18.006 -42.483 1.00 0.00 C ATOM 9445 O2 C B 440 87.065 -17.547 -43.203 1.00 0.00 O ATOM 9446 N3 C B 440 85.178 -17.231 -41.974 1.00 0.00 N ATOM 9447 C4 C B 440 84.229 -17.766 -41.196 1.00 0.00 C ATOM 9448 N4 C B 440 83.281 -16.967 -40.725 1.00 0.00 N ATOM 9449 C5 C B 440 84.221 -19.160 -40.873 1.00 0.00 C ATOM 9450 C6 C B 440 85.222 -19.914 -41.393 1.00 0.00 C ATOM 9451 P U B 441 90.483 -20.845 -39.210 1.00 0.00 P ATOM 9452 O1P U B 441 91.675 -21.609 -38.774 1.00 0.00 O ATOM 9453 O2P U B 441 89.383 -20.752 -38.227 1.00 0.00 O ATOM 9454 O5* U B 441 90.924 -19.377 -39.674 1.00 0.00 O ATOM 9455 C5* U B 441 91.926 -19.238 -40.696 1.00 0.00 C ATOM 9456 C4* U B 441 92.093 -17.777 -41.063 1.00 0.00 C ATOM 9457 O4* U B 441 90.880 -17.314 -41.725 1.00 0.00 O ATOM 9458 C3* U B 441 92.266 -16.811 -39.891 1.00 0.00 C ATOM 9459 O3* U B 441 93.591 -16.751 -39.468 1.00 0.00 O ATOM 9460 C2* U B 441 91.774 -15.496 -40.488 1.00 0.00 C ATOM 9461 O2* U B 441 92.755 -14.937 -41.348 1.00 0.00 O ATOM 9462 C1* U B 441 90.624 -15.964 -41.371 1.00 0.00 C ATOM 9463 N1 U B 441 89.296 -15.910 -40.702 1.00 0.00 N ATOM 9464 C2 U B 441 88.729 -14.669 -40.532 1.00 0.00 C ATOM 9465 O2 U B 441 89.268 -13.640 -40.903 1.00 0.00 O ATOM 9466 N3 U B 441 87.498 -14.657 -39.908 1.00 0.00 N ATOM 9467 C4 U B 441 86.801 -15.756 -39.448 1.00 0.00 C ATOM 9468 O4 U B 441 85.706 -15.620 -38.904 1.00 0.00 O ATOM 9469 C5 U B 441 87.474 -17.013 -39.670 1.00 0.00 C ATOM 9470 C6 U B 441 88.673 -17.055 -40.276 1.00 0.00 C ATOM 9471 P G B 442 93.900 -16.523 -37.881 1.00 0.00 P ATOM 9472 O1P G B 442 95.310 -16.850 -37.582 1.00 0.00 O ATOM 9473 O2P G B 442 92.885 -17.238 -37.074 1.00 0.00 O ATOM 9474 O5* G B 442 93.673 -14.943 -37.757 1.00 0.00 O ATOM 9475 C5* G B 442 94.497 -14.053 -38.537 1.00 0.00 C ATOM 9476 C4* G B 442 94.032 -12.626 -38.360 1.00 0.00 C ATOM 9477 O4* G B 442 92.718 -12.479 -38.974 1.00 0.00 O ATOM 9478 C3* G B 442 93.812 -12.170 -36.915 1.00 0.00 C ATOM 9479 O3* G B 442 95.004 -11.740 -36.331 1.00 0.00 O ATOM 9480 C2* G B 442 92.802 -11.035 -37.087 1.00 0.00 C ATOM 9481 O2* G B 442 93.437 -9.866 -37.573 1.00 0.00 O ATOM 9482 C1* G B 442 91.930 -11.571 -38.219 1.00 0.00 C ATOM 9483 N9 G B 442 90.716 -12.296 -37.745 1.00 0.00 N ATOM 9484 C8 G B 442 90.461 -13.650 -37.740 1.00 0.00 C ATOM 9485 N7 G B 442 89.286 -13.968 -37.252 1.00 0.00 N ATOM 9486 C5 G B 442 88.722 -12.736 -36.913 1.00 0.00 C ATOM 9487 C6 G B 442 87.463 -12.436 -36.340 1.00 0.00 C ATOM 9488 O6 G B 442 86.564 -13.205 -36.009 1.00 0.00 O ATOM 9489 N1 G B 442 87.298 -11.056 -36.163 1.00 0.00 N ATOM 9490 C2 G B 442 88.232 -10.091 -36.492 1.00 0.00 C ATOM 9491 N2 G B 442 87.884 -8.829 -36.243 1.00 0.00 N ATOM 9492 N3 G B 442 89.414 -10.376 -37.029 1.00 0.00 N ATOM 9493 C4 G B 442 89.591 -11.710 -37.211 1.00 0.00 C ATOM 9494 P A B 443 95.619 -13.231 -35.412 1.00 0.00 P ATOM 9495 O1P A B 443 96.372 -12.965 -34.171 1.00 0.00 O ATOM 9496 O2P A B 443 96.272 -14.144 -36.384 1.00 0.00 O ATOM 9497 O5* A B 443 93.911 -13.722 -35.021 1.00 0.00 O ATOM 9498 C5* A B 443 92.683 -13.099 -34.628 1.00 0.00 C ATOM 9499 C4* A B 443 91.836 -14.060 -33.660 1.00 0.00 C ATOM 9500 O4* A B 443 90.437 -14.373 -33.936 1.00 0.00 O ATOM 9501 C3* A B 443 92.408 -15.382 -33.140 1.00 0.00 C ATOM 9502 O3* A B 443 93.738 -15.099 -32.423 1.00 0.00 O ATOM 9503 C2* A B 443 91.234 -15.950 -32.346 1.00 0.00 C ATOM 9504 O2* A B 443 91.099 -15.286 -31.103 1.00 0.00 O ATOM 9505 C1* A B 443 90.047 -15.520 -33.208 1.00 0.00 C ATOM 9506 N9 A B 443 89.516 -16.678 -34.293 1.00 0.00 N ATOM 9507 C8 A B 443 89.631 -16.679 -35.667 1.00 0.00 C ATOM 9508 N7 A B 443 88.977 -17.639 -36.244 1.00 0.00 N ATOM 9509 C5 A B 443 88.383 -18.327 -35.195 1.00 0.00 C ATOM 9510 C6 A B 443 87.551 -19.455 -35.149 1.00 0.00 C ATOM 9511 N6 A B 443 87.150 -20.123 -36.241 1.00 0.00 N ATOM 9512 N1 A B 443 87.142 -19.874 -33.936 1.00 0.00 N ATOM 9513 C2 A B 443 87.542 -19.204 -32.855 1.00 0.00 C ATOM 9514 N3 A B 443 88.315 -18.143 -32.778 1.00 0.00 N ATOM 9515 C4 A B 443 88.710 -17.743 -34.003 1.00 0.00 C ATOM 9516 P C B 444 93.848 -15.031 -30.577 1.00 0.00 P ATOM 9517 O1P C B 444 95.299 -14.989 -30.292 1.00 0.00 O ATOM 9518 O2P C B 444 93.088 -16.103 -29.897 1.00 0.00 O ATOM 9519 O5* C B 444 93.190 -13.610 -30.250 1.00 0.00 O ATOM 9520 C5* C B 444 93.928 -12.411 -30.557 1.00 0.00 C ATOM 9521 C4* C B 444 93.071 -11.192 -30.285 1.00 0.00 C ATOM 9522 O4* C B 444 91.977 -11.159 -31.245 1.00 0.00 O ATOM 9523 C3* C B 444 92.370 -11.162 -28.925 1.00 0.00 C ATOM 9524 O3* C B 444 93.209 -10.668 -27.928 1.00 0.00 O ATOM 9525 C2* C B 444 91.181 -10.245 -29.202 1.00 0.00 C ATOM 9526 O2* C B 444 91.591 -8.889 -29.245 1.00 0.00 O ATOM 9527 C1* C B 444 90.811 -10.643 -30.627 1.00 0.00 C ATOM 9528 N1 C B 444 89.750 -11.685 -30.700 1.00 0.00 N ATOM 9529 C2 C B 444 88.442 -11.305 -30.416 1.00 0.00 C ATOM 9530 O2 C B 444 88.216 -10.125 -30.115 1.00 0.00 O ATOM 9531 N3 C B 444 87.460 -12.242 -30.477 1.00 0.00 N ATOM 9532 C4 C B 444 87.748 -13.509 -30.806 1.00 0.00 C ATOM 9533 N4 C B 444 86.756 -14.384 -30.853 1.00 0.00 N ATOM 9534 C5 C B 444 89.087 -13.923 -31.102 1.00 0.00 C ATOM 9535 C6 C B 444 90.052 -12.970 -31.034 1.00 0.00 C ATOM 9536 P C B 445 93.064 -11.266 -26.416 1.00 0.00 P ATOM 9537 O1P C B 445 94.252 -10.906 -25.607 1.00 0.00 O ATOM 9538 O2P C B 445 92.750 -12.711 -26.485 1.00 0.00 O ATOM 9539 O5* C B 445 91.786 -10.457 -25.892 1.00 0.00 O ATOM 9540 C5* C B 445 91.846 -9.021 -25.831 1.00 0.00 C ATOM 9541 C4* C B 445 90.497 -8.463 -25.433 1.00 0.00 C ATOM 9542 O4* C B 445 89.547 -8.710 -26.509 1.00 0.00 O ATOM 9543 C3* C B 445 89.842 -9.114 -24.211 1.00 0.00 C ATOM 9544 O3* C B 445 90.307 -8.552 -23.022 1.00 0.00 O ATOM 9545 C2* C B 445 88.361 -8.829 -24.453 1.00 0.00 C ATOM 9546 O2* C B 445 88.050 -7.478 -24.153 1.00 0.00 O ATOM 9547 C1* C B 445 88.262 -8.979 -25.968 1.00 0.00 C ATOM 9548 N1 C B 445 87.856 -10.341 -26.410 1.00 0.00 N ATOM 9549 C2 C B 445 86.524 -10.709 -26.241 1.00 0.00 C ATOM 9550 O2 C B 445 85.741 -9.894 -25.736 1.00 0.00 O ATOM 9551 N3 C B 445 86.132 -11.947 -26.635 1.00 0.00 N ATOM 9552 C4 C B 445 87.011 -12.800 -27.179 1.00 0.00 C ATOM 9553 N4 C B 445 86.580 -13.995 -27.550 1.00 0.00 N ATOM 9554 C5 C B 445 88.386 -12.441 -27.363 1.00 0.00 C ATOM 9555 C6 C B 445 88.757 -11.200 -26.961 1.00 0.00 C ATOM 9556 P G B 446 89.806 -7.478 -21.633 1.00 0.00 P ATOM 9557 O1P G B 446 88.564 -6.797 -22.054 1.00 0.00 O ATOM 9558 O2P G B 446 90.900 -6.597 -21.158 1.00 0.00 O ATOM 9559 O5* G B 446 89.656 -8.785 -20.329 1.00 0.00 O ATOM 9560 C5* G B 446 89.467 -9.374 -18.983 1.00 0.00 C ATOM 9561 C4* G B 446 90.682 -9.547 -17.919 1.00 0.00 C ATOM 9562 O4* G B 446 92.040 -9.369 -18.414 1.00 0.00 O ATOM 9563 C3* G B 446 90.832 -9.467 -16.394 1.00 0.00 C ATOM 9564 O3* G B 446 90.418 -8.289 -15.460 1.00 0.00 O ATOM 9565 C2* G B 446 92.186 -10.148 -16.175 1.00 0.00 C ATOM 9566 O2* G B 446 92.061 -11.555 -16.292 1.00 0.00 O ATOM 9567 C1* G B 446 92.973 -9.669 -17.391 1.00 0.00 C ATOM 9568 N9 G B 446 93.918 -8.307 -17.121 1.00 0.00 N ATOM 9569 C8 G B 446 94.293 -7.319 -18.005 1.00 0.00 C ATOM 9570 N7 G B 446 94.923 -6.315 -17.445 1.00 0.00 N ATOM 9571 C5 G B 446 94.974 -6.659 -16.096 1.00 0.00 C ATOM 9572 C6 G B 446 95.531 -5.970 -14.991 1.00 0.00 C ATOM 9573 O6 G B 446 96.108 -4.887 -14.978 1.00 0.00 O ATOM 9574 N1 G B 446 95.358 -6.679 -13.798 1.00 0.00 N ATOM 9575 C2 G B 446 94.729 -7.901 -13.685 1.00 0.00 C ATOM 9576 N2 G B 446 94.661 -8.416 -12.455 1.00 0.00 N ATOM 9577 N3 G B 446 94.201 -8.554 -14.722 1.00 0.00 N ATOM 9578 C4 G B 446 94.363 -7.872 -15.887 1.00 0.00 C ATOM 9579 P A B 447 89.297 -8.694 -14.071 1.00 0.00 P ATOM 9580 O1P A B 447 89.635 -9.924 -13.316 1.00 0.00 O ATOM 9581 O2P A B 447 87.905 -8.610 -14.574 1.00 0.00 O ATOM 9582 O5* A B 447 89.819 -7.238 -13.094 1.00 0.00 O ATOM 9583 C5* A B 447 90.169 -6.185 -12.153 1.00 0.00 C ATOM 9584 C4* A B 447 91.344 -5.182 -12.710 1.00 0.00 C ATOM 9585 O4* A B 447 92.047 -5.771 -13.842 1.00 0.00 O ATOM 9586 C3* A B 447 91.081 -3.740 -13.149 1.00 0.00 C ATOM 9587 O3* A B 447 89.744 -3.069 -13.496 1.00 0.00 O ATOM 9588 C2* A B 447 92.343 -3.415 -13.944 1.00 0.00 C ATOM 9589 O2* A B 447 93.436 -3.168 -13.074 1.00 0.00 O ATOM 9590 C1* A B 447 92.622 -4.750 -14.639 1.00 0.00 C ATOM 9591 N9 A B 447 91.991 -4.876 -16.197 1.00 0.00 N ATOM 9592 C8 A B 447 91.455 -5.982 -16.815 1.00 0.00 C ATOM 9593 N7 A B 447 91.235 -5.830 -18.078 1.00 0.00 N ATOM 9594 C5 A B 447 91.646 -4.527 -18.332 1.00 0.00 C ATOM 9595 C6 A B 447 91.667 -3.751 -19.503 1.00 0.00 C ATOM 9596 N6 A B 447 91.247 -4.198 -20.693 1.00 0.00 N ATOM 9597 N1 A B 447 92.138 -2.497 -19.411 1.00 0.00 N ATOM 9598 C2 A B 447 92.557 -2.053 -18.221 1.00 0.00 C ATOM 9599 N3 A B 447 92.583 -2.683 -17.064 1.00 0.00 N ATOM 9600 C4 A B 447 92.104 -3.940 -17.192 1.00 0.00 C ATOM 9601 P U B 448 90.003 -1.292 -13.721 1.00 0.00 P ATOM 9602 O1P U B 448 88.802 -0.594 -14.228 1.00 0.00 O ATOM 9603 O2P U B 448 91.281 -0.945 -14.386 1.00 0.00 O ATOM 9604 O5* U B 448 90.122 -1.386 -11.918 1.00 0.00 O ATOM 9605 C5* U B 448 89.045 -2.178 -11.305 1.00 0.00 C ATOM 9606 C4* U B 448 87.725 -1.169 -11.097 1.00 0.00 C ATOM 9607 O4* U B 448 87.559 -0.090 -12.061 1.00 0.00 O ATOM 9608 C3* U B 448 87.403 -0.508 -9.753 1.00 0.00 C ATOM 9609 O3* U B 448 86.334 -1.008 -8.650 1.00 0.00 O ATOM 9610 C2* U B 448 87.982 0.893 -9.943 1.00 0.00 C ATOM 9611 O2* U B 448 89.396 0.875 -9.826 1.00 0.00 O ATOM 9612 C1* U B 448 87.660 1.165 -11.408 1.00 0.00 C ATOM 9613 N1 U B 448 86.201 2.033 -11.674 1.00 0.00 N ATOM 9614 C2 U B 448 86.296 3.211 -12.373 1.00 0.00 C ATOM 9615 O2 U B 448 87.363 3.689 -12.732 1.00 0.00 O ATOM 9616 N3 U B 448 85.096 3.835 -12.647 1.00 0.00 N ATOM 9617 C4 U B 448 83.838 3.386 -12.291 1.00 0.00 C ATOM 9618 O4 U B 448 82.834 4.036 -12.594 1.00 0.00 O ATOM 9619 C5 U B 448 83.844 2.141 -11.557 1.00 0.00 C ATOM 9620 C6 U B 448 84.998 1.518 -11.278 1.00 0.00 C ATOM 9621 P A B 449 86.198 -2.551 -7.518 1.00 0.00 P ATOM 9622 O1P A B 449 87.268 -3.490 -7.922 1.00 0.00 O ATOM 9623 O2P A B 449 84.817 -3.044 -7.676 1.00 0.00 O ATOM 9624 O5* A B 449 86.375 -2.143 -5.622 1.00 0.00 O ATOM 9625 C5* A B 449 86.160 -2.271 -4.030 1.00 0.00 C ATOM 9626 C4* A B 449 86.777 -1.795 -2.436 1.00 0.00 C ATOM 9627 O4* A B 449 85.664 -1.042 -1.867 1.00 0.00 O ATOM 9628 C3* A B 449 87.512 -2.337 -1.207 1.00 0.00 C ATOM 9629 O3* A B 449 89.081 -2.862 -0.809 1.00 0.00 O ATOM 9630 C2* A B 449 87.355 -1.189 -0.208 1.00 0.00 C ATOM 9631 O2* A B 449 88.243 -0.125 -0.526 1.00 0.00 O ATOM 9632 C1* A B 449 85.946 -0.701 -0.520 1.00 0.00 C ATOM 9633 N9 A B 449 84.742 -1.359 0.457 1.00 0.00 N ATOM 9634 C8 A B 449 84.653 -2.635 0.967 1.00 0.00 C ATOM 9635 N7 A B 449 83.529 -2.884 1.573 1.00 0.00 N ATOM 9636 C5 A B 449 82.817 -1.699 1.460 1.00 0.00 C ATOM 9637 C6 A B 449 81.539 -1.319 1.899 1.00 0.00 C ATOM 9638 N6 A B 449 80.718 -2.136 2.574 1.00 0.00 N ATOM 9639 N1 A B 449 81.135 -0.063 1.618 1.00 0.00 N ATOM 9640 C2 A B 449 81.961 0.737 0.948 1.00 0.00 C ATOM 9641 N3 A B 449 83.166 0.495 0.487 1.00 0.00 N ATOM 9642 C4 A B 449 83.546 -0.765 0.781 1.00 0.00 C ATOM 9643 P G B 450 90.414 -4.124 -1.467 1.00 0.00 P ATOM 9644 O1P G B 450 90.206 -3.646 -2.855 1.00 0.00 O ATOM 9645 O2P G B 450 90.161 -5.565 -1.236 1.00 0.00 O ATOM 9646 O5* G B 450 92.278 -3.816 -1.307 1.00 0.00 O ATOM 9647 C5* G B 450 93.187 -3.567 -2.531 1.00 0.00 C ATOM 9648 C4* G B 450 93.244 -1.857 -2.740 1.00 0.00 C ATOM 9649 O4* G B 450 92.298 -1.756 -1.637 1.00 0.00 O ATOM 9650 C3* G B 450 94.445 -1.030 -2.275 1.00 0.00 C ATOM 9651 O3* G B 450 95.918 -1.432 -1.997 1.00 0.00 O ATOM 9652 C2* G B 450 93.774 0.106 -1.506 1.00 0.00 C ATOM 9653 O2* G B 450 93.210 1.053 -2.400 1.00 0.00 O ATOM 9654 C1* G B 450 92.609 -0.621 -0.842 1.00 0.00 C ATOM 9655 N9 G B 450 92.912 -1.142 0.721 1.00 0.00 N ATOM 9656 C8 G B 450 92.222 -0.867 1.877 1.00 0.00 C ATOM 9657 N7 G B 450 92.779 -1.351 2.962 1.00 0.00 N ATOM 9658 C5 G B 450 93.919 -1.997 2.491 1.00 0.00 C ATOM 9659 C6 G B 450 94.927 -2.708 3.192 1.00 0.00 C ATOM 9660 O6 G B 450 95.015 -2.925 4.395 1.00 0.00 O ATOM 9661 N1 G B 450 95.903 -3.202 2.324 1.00 0.00 N ATOM 9662 C2 G B 450 95.919 -3.031 0.949 1.00 0.00 C ATOM 9663 N2 G B 450 96.935 -3.581 0.296 1.00 0.00 N ATOM 9664 N3 G B 450 94.969 -2.359 0.290 1.00 0.00 N ATOM 9665 C4 G B 450 94.009 -1.875 1.123 1.00 0.00 C ATOM 9666 P U B 451 96.923 -0.092 -1.240 1.00 0.00 P ATOM 9667 O1P U B 451 98.372 -0.402 -1.231 1.00 0.00 O ATOM 9668 O2P U B 451 96.357 0.377 0.043 1.00 0.00 O ATOM 9669 O5* U B 451 96.472 0.989 -2.620 1.00 0.00 O ATOM 9670 C5* U B 451 95.312 1.201 -3.426 1.00 0.00 C ATOM 9671 C4* U B 451 94.815 2.730 -3.228 1.00 0.00 C ATOM 9672 O4* U B 451 95.918 3.593 -3.634 1.00 0.00 O ATOM 9673 C3* U B 451 93.584 3.397 -3.844 1.00 0.00 C ATOM 9674 O3* U B 451 92.234 3.079 -3.099 1.00 0.00 O ATOM 9675 C2* U B 451 93.922 4.880 -3.713 1.00 0.00 C ATOM 9676 O2* U B 451 93.738 5.321 -2.380 1.00 0.00 O ATOM 9677 C1* U B 451 95.424 4.878 -3.982 1.00 0.00 C ATOM 9678 N1 U B 451 95.864 5.205 -5.623 1.00 0.00 N ATOM 9679 C2 U B 451 94.936 5.866 -6.396 1.00 0.00 C ATOM 9680 O2 U B 451 93.798 6.077 -6.027 1.00 0.00 O ATOM 9681 N3 U B 451 95.388 6.284 -7.634 1.00 0.00 N ATOM 9682 C4 U B 451 96.654 6.103 -8.149 1.00 0.00 C ATOM 9683 O4 U B 451 96.939 6.522 -9.272 1.00 0.00 O ATOM 9684 C5 U B 451 97.555 5.396 -7.268 1.00 0.00 C ATOM 9685 C6 U B 451 97.144 4.977 -6.061 1.00 0.00 C ATOM 9686 P G B 452 90.823 4.248 -2.927 1.00 0.00 P ATOM 9687 O1P G B 452 90.451 4.924 -4.188 1.00 0.00 O ATOM 9688 O2P G B 452 90.995 5.126 -1.749 1.00 0.00 O ATOM 9689 O5* G B 452 89.663 2.847 -2.689 1.00 0.00 O ATOM 9690 C5* G B 452 88.545 2.098 -3.269 1.00 0.00 C ATOM 9691 C4* G B 452 88.872 0.646 -4.065 1.00 0.00 C ATOM 9692 O4* G B 452 88.081 -0.535 -3.749 1.00 0.00 O ATOM 9693 C3* G B 452 90.283 0.101 -4.267 1.00 0.00 C ATOM 9694 O3* G B 452 91.207 1.333 -4.343 1.00 0.00 O ATOM 9695 C2* G B 452 90.346 -1.020 -3.230 1.00 0.00 C ATOM 9696 O2* G B 452 90.519 -0.482 -1.924 1.00 0.00 O ATOM 9697 C1* G B 452 88.925 -1.573 -3.291 1.00 0.00 C ATOM 9698 N9 G B 452 88.712 -3.025 -4.398 1.00 0.00 N ATOM 9699 C8 G B 452 89.352 -3.316 -5.590 1.00 0.00 C ATOM 9700 N7 G B 452 89.057 -4.498 -6.076 1.00 0.00 N ATOM 9701 C5 G B 452 88.162 -5.028 -5.146 1.00 0.00 C ATOM 9702 C6 G B 452 87.495 -6.279 -5.131 1.00 0.00 C ATOM 9703 O6 G B 452 87.559 -7.196 -5.949 1.00 0.00 O ATOM 9704 N1 G B 452 86.679 -6.412 -4.001 1.00 0.00 N ATOM 9705 C2 G B 452 86.522 -5.455 -3.015 1.00 0.00 C ATOM 9706 N2 G B 452 85.696 -5.770 -2.013 1.00 0.00 N ATOM 9707 N3 G B 452 87.151 -4.283 -3.028 1.00 0.00 N ATOM 9708 C4 G B 452 87.946 -4.138 -4.118 1.00 0.00 C ATOM 9709 P A B 453 90.981 2.459 -5.816 1.00 0.00 P ATOM 9710 O1P A B 453 91.099 1.611 -7.022 1.00 0.00 O ATOM 9711 O2P A B 453 91.918 3.602 -5.744 1.00 0.00 O ATOM 9712 O5* A B 453 89.256 3.161 -5.602 1.00 0.00 O ATOM 9713 C5* A B 453 88.073 3.818 -4.934 1.00 0.00 C ATOM 9714 C4* A B 453 86.784 4.674 -5.560 1.00 0.00 C ATOM 9715 O4* A B 453 86.297 4.476 -6.922 1.00 0.00 O ATOM 9716 C3* A B 453 85.538 5.083 -4.779 1.00 0.00 C ATOM 9717 O3* A B 453 85.565 5.575 -3.339 1.00 0.00 O ATOM 9718 C2* A B 453 84.770 5.921 -5.802 1.00 0.00 C ATOM 9719 O2* A B 453 85.358 7.207 -5.930 1.00 0.00 O ATOM 9720 C1* A B 453 85.070 5.171 -7.095 1.00 0.00 C ATOM 9721 N9 A B 453 83.895 4.063 -7.548 1.00 0.00 N ATOM 9722 C8 A B 453 83.993 3.031 -8.451 1.00 0.00 C ATOM 9723 N7 A B 453 82.953 2.252 -8.489 1.00 0.00 N ATOM 9724 C5 A B 453 82.102 2.795 -7.543 1.00 0.00 C ATOM 9725 C6 A B 453 80.822 2.426 -7.098 1.00 0.00 C ATOM 9726 N6 A B 453 80.147 1.371 -7.577 1.00 0.00 N ATOM 9727 N1 A B 453 80.253 3.188 -6.143 1.00 0.00 N ATOM 9728 C2 A B 453 80.923 4.236 -5.676 1.00 0.00 C ATOM 9729 N3 A B 453 82.122 4.672 -6.009 1.00 0.00 N ATOM 9730 C4 A B 453 82.664 3.900 -6.963 1.00 0.00 C ATOM 9731 P A B 454 83.874 5.683 -2.635 1.00 0.00 P ATOM 9732 O1P A B 454 83.702 4.753 -1.493 1.00 0.00 O ATOM 9733 O2P A B 454 82.827 5.616 -3.681 1.00 0.00 O ATOM 9734 O5* A B 454 84.103 7.432 -2.175 1.00 0.00 O ATOM 9735 C5* A B 454 83.241 8.575 -2.398 1.00 0.00 C ATOM 9736 C4* A B 454 82.181 8.793 -1.174 1.00 0.00 C ATOM 9737 O4* A B 454 82.578 8.112 0.048 1.00 0.00 O ATOM 9738 C3* A B 454 81.721 10.172 -0.700 1.00 0.00 C ATOM 9739 O3* A B 454 80.929 10.973 -1.788 1.00 0.00 O ATOM 9740 C2* A B 454 81.065 9.849 0.636 1.00 0.00 C ATOM 9741 O2* A B 454 79.784 9.268 0.440 1.00 0.00 O ATOM 9742 C1* A B 454 81.971 8.744 1.165 1.00 0.00 C ATOM 9743 N9 A B 454 83.189 9.271 2.202 1.00 0.00 N ATOM 9744 C8 A B 454 84.421 8.706 2.425 1.00 0.00 C ATOM 9745 N7 A B 454 85.071 9.236 3.416 1.00 0.00 N ATOM 9746 C5 A B 454 84.219 10.223 3.889 1.00 0.00 C ATOM 9747 C6 A B 454 84.334 11.152 4.934 1.00 0.00 C ATOM 9748 N6 A B 454 85.400 11.239 5.734 1.00 0.00 N ATOM 9749 N1 A B 454 83.296 11.990 5.132 1.00 0.00 N ATOM 9750 C2 A B 454 82.236 11.902 4.333 1.00 0.00 C ATOM 9751 N3 A B 454 82.018 11.080 3.330 1.00 0.00 N ATOM 9752 C4 A B 454 83.071 10.253 3.151 1.00 0.00 C ATOM 9753 P C B 455 79.119 10.723 -2.108 1.00 0.00 P ATOM 9754 O1P C B 455 78.285 11.295 -1.028 1.00 0.00 O ATOM 9755 O2P C B 455 78.861 9.308 -2.442 1.00 0.00 O ATOM 9756 O5* C B 455 78.997 11.796 -3.609 1.00 0.00 O ATOM 9757 C5* C B 455 78.223 12.985 -4.007 1.00 0.00 C ATOM 9758 C4* C B 455 78.231 13.545 -5.552 1.00 0.00 C ATOM 9759 O4* C B 455 79.475 13.501 -6.306 1.00 0.00 O ATOM 9760 C3* C B 455 77.161 13.168 -6.580 1.00 0.00 C ATOM 9761 O3* C B 455 75.680 13.423 -6.196 1.00 0.00 O ATOM 9762 C2* C B 455 77.700 13.823 -7.853 1.00 0.00 C ATOM 9763 O2* C B 455 77.473 15.221 -7.835 1.00 0.00 O ATOM 9764 C1* C B 455 79.203 13.613 -7.697 1.00 0.00 C ATOM 9765 N1 C B 455 79.817 12.215 -8.482 1.00 0.00 N ATOM 9766 C2 C B 455 80.630 12.400 -9.600 1.00 0.00 C ATOM 9767 O2 C B 455 80.858 13.556 -9.980 1.00 0.00 O ATOM 9768 N3 C B 455 81.131 11.313 -10.232 1.00 0.00 N ATOM 9769 C4 C B 455 80.853 10.079 -9.783 1.00 0.00 C ATOM 9770 N4 C B 455 81.374 9.051 -10.435 1.00 0.00 N ATOM 9771 C5 C B 455 80.031 9.866 -8.638 1.00 0.00 C ATOM 9772 C6 C B 455 79.534 10.968 -8.020 1.00 0.00 C ATOM 9773 P C B 456 74.605 11.957 -6.376 1.00 0.00 P ATOM 9774 O1P C B 456 74.413 11.623 -7.807 1.00 0.00 O ATOM 9775 O2P C B 456 73.365 12.059 -5.570 1.00 0.00 O ATOM 9776 O5* C B 456 75.814 10.881 -5.544 1.00 0.00 O ATOM 9777 C5* C B 456 77.140 10.833 -4.949 1.00 0.00 C ATOM 9778 C4* C B 456 77.867 9.369 -4.878 1.00 0.00 C ATOM 9779 O4* C B 456 77.011 8.357 -5.480 1.00 0.00 O ATOM 9780 C3* C B 456 79.275 8.988 -5.351 1.00 0.00 C ATOM 9781 O3* C B 456 80.636 9.533 -4.562 1.00 0.00 O ATOM 9782 C2* C B 456 79.208 7.462 -5.335 1.00 0.00 C ATOM 9783 O2* C B 456 79.294 6.965 -4.009 1.00 0.00 O ATOM 9784 C1* C B 456 77.785 7.207 -5.811 1.00 0.00 C ATOM 9785 N1 C B 456 77.634 6.922 -7.495 1.00 0.00 N ATOM 9786 C2 C B 456 78.025 5.673 -7.983 1.00 0.00 C ATOM 9787 O2 C B 456 78.485 4.844 -7.190 1.00 0.00 O ATOM 9788 N3 C B 456 77.875 5.417 -9.305 1.00 0.00 N ATOM 9789 C4 C B 456 77.374 6.343 -10.129 1.00 0.00 C ATOM 9790 N4 C B 456 77.253 6.038 -11.412 1.00 0.00 N ATOM 9791 C5 C B 456 76.972 7.629 -9.652 1.00 0.00 C ATOM 9792 C6 C B 456 77.124 7.868 -8.326 1.00 0.00 C ATOM 9793 P A B 457 82.007 10.733 -5.197 1.00 0.00 P ATOM 9794 O1P A B 457 81.454 12.099 -5.038 1.00 0.00 O ATOM 9795 O2P A B 457 82.310 10.322 -6.584 1.00 0.00 O ATOM 9796 O5* A B 457 83.735 10.791 -4.326 1.00 0.00 O ATOM 9797 C5* A B 457 85.263 10.879 -4.687 1.00 0.00 C ATOM 9798 C4* A B 457 86.672 11.799 -4.284 1.00 0.00 C ATOM 9799 O4* A B 457 86.760 13.038 -3.529 1.00 0.00 O ATOM 9800 C3* A B 457 88.130 11.407 -4.528 1.00 0.00 C ATOM 9801 O3* A B 457 88.791 10.139 -5.233 1.00 0.00 O ATOM 9802 C2* A B 457 88.799 12.766 -4.722 1.00 0.00 C ATOM 9803 O2* A B 457 88.522 13.282 -6.008 1.00 0.00 O ATOM 9804 C1* A B 457 88.039 13.625 -3.722 1.00 0.00 C ATOM 9805 N9 A B 457 88.832 13.791 -2.124 1.00 0.00 N ATOM 9806 C8 A B 457 89.310 14.931 -1.524 1.00 0.00 C ATOM 9807 N7 A B 457 89.990 14.711 -0.445 1.00 0.00 N ATOM 9808 C5 A B 457 89.974 13.328 -0.313 1.00 0.00 C ATOM 9809 C6 A B 457 90.527 12.459 0.640 1.00 0.00 C ATOM 9810 N6 A B 457 91.246 12.880 1.694 1.00 0.00 N ATOM 9811 N1 A B 457 90.323 11.142 0.472 1.00 0.00 N ATOM 9812 C2 A B 457 89.607 10.732 -0.578 1.00 0.00 C ATOM 9813 N3 A B 457 89.043 11.445 -1.526 1.00 0.00 N ATOM 9814 C4 A B 457 89.269 12.765 -1.332 1.00 0.00 C ATOM 9815 P G B 458 88.118 8.440 -5.206 1.00 0.00 P ATOM 9816 O1P G B 458 88.424 7.735 -6.471 1.00 0.00 O ATOM 9817 O2P G B 458 86.686 8.556 -4.864 1.00 0.00 O ATOM 9818 O5* G B 458 89.018 7.644 -3.809 1.00 0.00 O ATOM 9819 C5* G B 458 88.334 7.045 -2.660 1.00 0.00 C ATOM 9820 C4* G B 458 87.443 8.207 -1.979 1.00 0.00 C ATOM 9821 O4* G B 458 86.797 8.205 -0.673 1.00 0.00 O ATOM 9822 C3* G B 458 88.030 9.615 -2.101 1.00 0.00 C ATOM 9823 O3* G B 458 89.156 9.975 -3.170 1.00 0.00 O ATOM 9824 C2* G B 458 86.963 10.459 -1.400 1.00 0.00 C ATOM 9825 O2* G B 458 85.834 10.643 -2.235 1.00 0.00 O ATOM 9826 C1* G B 458 86.538 9.542 -0.264 1.00 0.00 C ATOM 9827 N9 G B 458 87.366 9.825 1.248 1.00 0.00 N ATOM 9828 C8 G B 458 88.259 9.015 1.918 1.00 0.00 C ATOM 9829 N7 G B 458 88.750 9.549 3.007 1.00 0.00 N ATOM 9830 C5 G B 458 88.146 10.803 3.065 1.00 0.00 C ATOM 9831 C6 G B 458 88.282 11.842 4.017 1.00 0.00 C ATOM 9832 O6 G B 458 88.982 11.871 5.030 1.00 0.00 O ATOM 9833 N1 G B 458 87.487 12.950 3.695 1.00 0.00 N ATOM 9834 C2 G B 458 86.661 13.039 2.590 1.00 0.00 C ATOM 9835 N2 G B 458 85.982 14.182 2.459 1.00 0.00 N ATOM 9836 N3 G B 458 86.531 12.065 1.693 1.00 0.00 N ATOM 9837 C4 G B 458 87.296 10.982 1.995 1.00 0.00 C ATOM 9838 P U B 459 90.878 10.715 -3.310 1.00 0.00 P ATOM 9839 O1P U B 459 91.774 9.555 -3.089 1.00 0.00 O ATOM 9840 O2P U B 459 91.251 11.957 -2.596 1.00 0.00 O ATOM 9841 O5* U B 459 90.797 11.336 -5.045 1.00 0.00 O ATOM 9842 C5* U B 459 91.975 11.844 -5.726 1.00 0.00 C ATOM 9843 C4* U B 459 92.609 10.596 -6.626 1.00 0.00 C ATOM 9844 O4* U B 459 91.760 10.179 -7.727 1.00 0.00 O ATOM 9845 C3* U B 459 93.301 9.301 -6.178 1.00 0.00 C ATOM 9846 O3* U B 459 94.111 9.387 -4.863 1.00 0.00 O ATOM 9847 C2* U B 459 92.196 8.268 -6.382 1.00 0.00 C ATOM 9848 O2* U B 459 91.232 8.349 -5.346 1.00 0.00 O ATOM 9849 C1* U B 459 91.522 8.780 -7.650 1.00 0.00 C ATOM 9850 N1 U B 459 92.069 8.072 -9.068 1.00 0.00 N ATOM 9851 C2 U B 459 91.950 6.708 -9.167 1.00 0.00 C ATOM 9852 O2 U B 459 91.554 6.004 -8.252 1.00 0.00 O ATOM 9853 N3 U B 459 92.320 6.168 -10.387 1.00 0.00 N ATOM 9854 C4 U B 459 92.780 6.867 -11.484 1.00 0.00 C ATOM 9855 O4 U B 459 93.077 6.272 -12.524 1.00 0.00 O ATOM 9856 C5 U B 459 92.867 8.292 -11.280 1.00 0.00 C ATOM 9857 C6 U B 459 92.516 8.841 -10.106 1.00 0.00 C ATOM 9858 P A B 460 94.088 8.048 -3.603 1.00 0.00 P ATOM 9859 O1P A B 460 92.871 7.211 -3.694 1.00 0.00 O ATOM 9860 O2P A B 460 94.413 8.571 -2.255 1.00 0.00 O ATOM 9861 O5* A B 460 95.555 7.298 -4.366 1.00 0.00 O ATOM 9862 C5* A B 460 96.941 6.867 -4.542 1.00 0.00 C ATOM 9863 C4* A B 460 97.958 7.813 -3.752 1.00 0.00 C ATOM 9864 O4* A B 460 96.979 8.669 -3.106 1.00 0.00 O ATOM 9865 C3* A B 460 98.986 7.528 -2.652 1.00 0.00 C ATOM 9866 O3* A B 460 99.967 6.286 -2.312 1.00 0.00 O ATOM 9867 C2* A B 460 99.018 8.857 -1.901 1.00 0.00 C ATOM 9868 O2* A B 460 99.760 9.826 -2.618 1.00 0.00 O ATOM 9869 C1* A B 460 97.551 9.283 -1.959 1.00 0.00 C ATOM 9870 N9 A B 460 96.680 8.860 -0.676 1.00 0.00 N ATOM 9871 C8 A B 460 96.279 7.595 -0.290 1.00 0.00 C ATOM 9872 N7 A B 460 95.750 7.548 0.897 1.00 0.00 N ATOM 9873 C5 A B 460 95.795 8.865 1.335 1.00 0.00 C ATOM 9874 C6 A B 460 95.384 9.476 2.527 1.00 0.00 C ATOM 9875 N6 A B 460 94.817 8.809 3.544 1.00 0.00 N ATOM 9876 N1 A B 460 95.574 10.801 2.642 1.00 0.00 N ATOM 9877 C2 A B 460 96.134 11.460 1.630 1.00 0.00 C ATOM 9878 N3 A B 460 96.557 10.998 0.473 1.00 0.00 N ATOM 9879 C4 A B 460 96.358 9.667 0.387 1.00 0.00 C ATOM 9880 P C B 461 99.439 4.574 -2.911 1.00 0.00 P ATOM 9881 O1P C B 461 98.365 5.298 -3.625 1.00 0.00 O ATOM 9882 O2P C B 461 99.016 3.370 -2.162 1.00 0.00 O ATOM 9883 O5* C B 461 100.610 4.189 -3.932 1.00 0.00 O ATOM 9884 C5* C B 461 101.831 3.628 -3.416 1.00 0.00 C ATOM 9885 C4* C B 461 102.741 3.227 -4.556 1.00 0.00 C ATOM 9886 O4* C B 461 102.142 2.108 -5.268 1.00 0.00 O ATOM 9887 C3* C B 461 102.955 4.282 -5.643 1.00 0.00 C ATOM 9888 O3* C B 461 103.960 5.180 -5.292 1.00 0.00 O ATOM 9889 C2* C B 461 103.324 3.424 -6.851 1.00 0.00 C ATOM 9890 O2* C B 461 104.662 2.968 -6.756 1.00 0.00 O ATOM 9891 C1* C B 461 102.423 2.210 -6.655 1.00 0.00 C ATOM 9892 N1 C B 461 101.125 2.300 -7.382 1.00 0.00 N ATOM 9893 C2 C B 461 101.142 2.126 -8.764 1.00 0.00 C ATOM 9894 O2 C B 461 102.223 1.901 -9.322 1.00 0.00 O ATOM 9895 N3 C B 461 99.972 2.205 -9.445 1.00 0.00 N ATOM 9896 C4 C B 461 98.822 2.448 -8.801 1.00 0.00 C ATOM 9897 N4 C B 461 97.706 2.515 -9.512 1.00 0.00 N ATOM 9898 C5 C B 461 98.783 2.632 -7.381 1.00 0.00 C ATOM 9899 C6 C B 461 99.965 2.549 -6.719 1.00 0.00 C ATOM 9900 P C B 462 103.825 6.734 -5.778 1.00 0.00 P ATOM 9901 O1P C B 462 104.767 7.590 -5.017 1.00 0.00 O ATOM 9902 O2P C B 462 102.405 7.144 -5.731 1.00 0.00 O ATOM 9903 O5* C B 462 104.308 6.618 -7.296 1.00 0.00 O ATOM 9904 C5* C B 462 105.640 6.149 -7.574 1.00 0.00 C ATOM 9905 C4* C B 462 105.837 5.996 -9.070 1.00 0.00 C ATOM 9906 O4* C B 462 104.994 4.910 -9.550 1.00 0.00 O ATOM 9907 C3* C B 462 105.410 7.194 -9.920 1.00 0.00 C ATOM 9908 O3* C B 462 106.414 8.157 -9.989 1.00 0.00 O ATOM 9909 C2* C B 462 105.126 6.542 -11.271 1.00 0.00 C ATOM 9910 O2* C B 462 106.333 6.238 -11.949 1.00 0.00 O ATOM 9911 C1* C B 462 104.509 5.214 -10.847 1.00 0.00 C ATOM 9912 N1 C B 462 103.020 5.237 -10.787 1.00 0.00 N ATOM 9913 C2 C B 462 102.320 5.232 -11.988 1.00 0.00 C ATOM 9914 O2 C B 462 102.958 5.210 -13.048 1.00 0.00 O ATOM 9915 N3 C B 462 100.964 5.257 -11.956 1.00 0.00 N ATOM 9916 C4 C B 462 100.311 5.282 -10.787 1.00 0.00 C ATOM 9917 N4 C B 462 98.987 5.303 -10.809 1.00 0.00 N ATOM 9918 C5 C B 462 101.011 5.286 -9.539 1.00 0.00 C ATOM 9919 C6 C B 462 102.367 5.265 -9.593 1.00 0.00 C ATOM 9920 P G B 463 105.940 9.513 -8.858 1.00 0.00 P ATOM 9921 O1P G B 463 106.867 10.665 -8.924 1.00 0.00 O ATOM 9922 O2P G B 463 105.672 8.977 -7.506 1.00 0.00 O ATOM 9923 O5* G B 463 104.375 9.814 -9.726 1.00 0.00 O ATOM 9924 C5* G B 463 103.384 10.726 -9.233 1.00 0.00 C ATOM 9925 C4* G B 463 103.160 11.948 -10.259 1.00 0.00 C ATOM 9926 O4* G B 463 104.300 12.712 -10.745 1.00 0.00 O ATOM 9927 C3* G B 463 102.277 11.774 -11.496 1.00 0.00 C ATOM 9928 O3* G B 463 100.958 11.046 -11.286 1.00 0.00 O ATOM 9929 C2* G B 463 102.476 13.105 -12.216 1.00 0.00 C ATOM 9930 O2* G B 463 101.738 14.134 -11.586 1.00 0.00 O ATOM 9931 C1* G B 463 103.950 13.383 -11.943 1.00 0.00 C ATOM 9932 N9 G B 463 105.020 12.863 -13.187 1.00 0.00 N ATOM 9933 C8 G B 463 105.644 11.645 -13.346 1.00 0.00 C ATOM 9934 N7 G B 463 106.490 11.606 -14.347 1.00 0.00 N ATOM 9935 C5 G B 463 106.426 12.890 -14.889 1.00 0.00 C ATOM 9936 C6 G B 463 107.116 13.454 -15.994 1.00 0.00 C ATOM 9937 O6 G B 463 107.942 12.927 -16.734 1.00 0.00 O ATOM 9938 N1 G B 463 106.750 14.792 -16.197 1.00 0.00 N ATOM 9939 C2 G B 463 105.833 15.491 -15.435 1.00 0.00 C ATOM 9940 N2 G B 463 105.624 16.763 -15.794 1.00 0.00 N ATOM 9941 N3 G B 463 105.187 14.964 -14.402 1.00 0.00 N ATOM 9942 C4 G B 463 105.532 13.663 -14.188 1.00 0.00 C ATOM 9943 P U B 464 101.204 9.258 -11.638 1.00 0.00 P ATOM 9944 O1P U B 464 102.584 8.807 -11.340 1.00 0.00 O ATOM 9945 O2P U B 464 100.723 8.981 -13.014 1.00 0.00 O ATOM 9946 O5* U B 464 100.056 8.621 -10.356 1.00 0.00 O ATOM 9947 C5* U B 464 98.870 7.779 -10.224 1.00 0.00 C ATOM 9948 C4* U B 464 97.762 8.292 -11.293 1.00 0.00 C ATOM 9949 O4* U B 464 97.969 9.655 -11.763 1.00 0.00 O ATOM 9950 C3* U B 464 96.399 7.906 -11.856 1.00 0.00 C ATOM 9951 O3* U B 464 95.406 6.817 -11.342 1.00 0.00 O ATOM 9952 C2* U B 464 95.632 9.222 -11.772 1.00 0.00 C ATOM 9953 O2* U B 464 95.225 9.482 -10.438 1.00 0.00 O ATOM 9954 C1* U B 464 96.720 10.235 -12.106 1.00 0.00 C ATOM 9955 N1 U B 464 96.777 10.698 -13.727 1.00 0.00 N ATOM 9956 C2 U B 464 95.661 11.322 -14.237 1.00 0.00 C ATOM 9957 O2 U B 464 94.625 11.450 -13.599 1.00 0.00 O ATOM 9958 N3 U B 464 95.784 11.798 -15.524 1.00 0.00 N ATOM 9959 C4 U B 464 96.900 11.707 -16.327 1.00 0.00 C ATOM 9960 O4 U B 464 96.895 12.172 -17.471 1.00 0.00 O ATOM 9961 C5 U B 464 98.020 11.039 -15.706 1.00 0.00 C ATOM 9962 C6 U B 464 97.930 10.565 -14.455 1.00 0.00 C ATOM 9963 P G B 465 95.429 4.971 -11.121 1.00 0.00 P ATOM 9964 O1P G B 465 94.176 4.617 -10.412 1.00 0.00 O ATOM 9965 O2P G B 465 96.679 4.521 -10.477 1.00 0.00 O ATOM 9966 O5* G B 465 95.227 4.282 -12.830 1.00 0.00 O ATOM 9967 C5* G B 465 94.147 3.275 -12.905 1.00 0.00 C ATOM 9968 C4* G B 465 94.209 1.960 -13.905 1.00 0.00 C ATOM 9969 O4* G B 465 95.421 1.474 -14.552 1.00 0.00 O ATOM 9970 C3* G B 465 93.093 1.550 -14.870 1.00 0.00 C ATOM 9971 O3* G B 465 91.762 2.244 -14.519 1.00 0.00 O ATOM 9972 C2* G B 465 93.759 1.731 -16.231 1.00 0.00 C ATOM 9973 O2* G B 465 93.829 3.105 -16.579 1.00 0.00 O ATOM 9974 C1* G B 465 95.185 1.276 -15.936 1.00 0.00 C ATOM 9975 N9 G B 465 95.511 -0.407 -16.318 1.00 0.00 N ATOM 9976 C8 G B 465 95.036 -1.165 -17.366 1.00 0.00 C ATOM 9977 N7 G B 465 95.606 -2.341 -17.478 1.00 0.00 N ATOM 9978 C5 G B 465 96.525 -2.362 -16.426 1.00 0.00 C ATOM 9979 C6 G B 465 97.436 -3.375 -16.039 1.00 0.00 C ATOM 9980 O6 G B 465 97.627 -4.481 -16.541 1.00 0.00 O ATOM 9981 N1 G B 465 98.183 -2.984 -14.915 1.00 0.00 N ATOM 9982 C2 G B 465 98.062 -1.775 -14.258 1.00 0.00 C ATOM 9983 N2 G B 465 98.869 -1.596 -13.211 1.00 0.00 N ATOM 9984 N3 G B 465 97.206 -0.823 -14.633 1.00 0.00 N ATOM 9985 C4 G B 465 96.473 -1.187 -15.716 1.00 0.00 C ATOM 9986 P A B 466 90.540 2.604 -15.830 1.00 0.00 P ATOM 9987 O1P A B 466 89.153 2.508 -15.321 1.00 0.00 O ATOM 9988 O2P A B 466 90.825 1.848 -17.069 1.00 0.00 O ATOM 9989 O5* A B 466 91.074 4.345 -15.934 1.00 0.00 O ATOM 9990 C5* A B 466 92.194 5.215 -16.172 1.00 0.00 C ATOM 9991 C4* A B 466 91.932 6.574 -17.041 1.00 0.00 C ATOM 9992 O4* A B 466 92.663 7.700 -16.483 1.00 0.00 O ATOM 9993 C3* A B 466 91.978 6.812 -18.553 1.00 0.00 C ATOM 9994 O3* A B 466 92.520 5.981 -19.769 1.00 0.00 O ATOM 9995 C2* A B 466 91.885 8.334 -18.637 1.00 0.00 C ATOM 9996 O2* A B 466 90.556 8.767 -18.413 1.00 0.00 O ATOM 9997 C1* A B 466 92.701 8.762 -17.424 1.00 0.00 C ATOM 9998 N9 A B 466 94.305 9.117 -17.753 1.00 0.00 N ATOM 9999 C8 A B 466 95.434 8.482 -17.287 1.00 0.00 C ATOM 10000 N7 A B 466 96.534 8.894 -17.838 1.00 0.00 N ATOM 10001 C5 A B 466 96.116 9.868 -18.741 1.00 0.00 C ATOM 10002 C6 A B 466 96.814 10.685 -19.640 1.00 0.00 C ATOM 10003 N6 A B 466 98.144 10.652 -19.789 1.00 0.00 N ATOM 10004 N1 A B 466 96.091 11.547 -20.383 1.00 0.00 N ATOM 10005 C2 A B 466 94.772 11.573 -20.229 1.00 0.00 C ATOM 10006 N3 A B 466 94.012 10.861 -19.423 1.00 0.00 N ATOM 10007 C4 A B 466 94.760 10.007 -18.693 1.00 0.00 C ATOM 10008 P G B 467 92.516 4.159 -19.565 1.00 0.00 P ATOM 10009 O1P G B 467 91.824 3.266 -20.522 1.00 0.00 O ATOM 10010 O2P G B 467 92.091 4.044 -18.152 1.00 0.00 O ATOM 10011 O5* G B 467 94.097 3.949 -19.676 1.00 0.00 O ATOM 10012 C5* G B 467 94.735 4.108 -20.956 1.00 0.00 C ATOM 10013 C4* G B 467 96.239 3.988 -20.804 1.00 0.00 C ATOM 10014 O4* G B 467 96.730 5.130 -20.047 1.00 0.00 O ATOM 10015 C3* G B 467 96.733 2.780 -20.008 1.00 0.00 C ATOM 10016 O3* G B 467 96.829 1.642 -20.808 1.00 0.00 O ATOM 10017 C2* G B 467 98.094 3.260 -19.508 1.00 0.00 C ATOM 10018 O2* G B 467 99.054 3.221 -20.549 1.00 0.00 O ATOM 10019 C1* G B 467 97.810 4.732 -19.220 1.00 0.00 C ATOM 10020 N9 G B 467 97.431 5.005 -17.806 1.00 0.00 N ATOM 10021 C8 G B 467 96.197 5.304 -17.278 1.00 0.00 C ATOM 10022 N7 G B 467 96.200 5.488 -15.978 1.00 0.00 N ATOM 10023 C5 G B 467 97.537 5.300 -15.621 1.00 0.00 C ATOM 10024 C6 G B 467 98.162 5.368 -14.351 1.00 0.00 C ATOM 10025 O6 G B 467 97.655 5.617 -13.259 1.00 0.00 O ATOM 10026 N1 G B 467 99.535 5.108 -14.440 1.00 0.00 N ATOM 10027 C2 G B 467 100.216 4.817 -15.608 1.00 0.00 C ATOM 10028 N2 G B 467 101.527 4.595 -15.482 1.00 0.00 N ATOM 10029 N3 G B 467 99.629 4.751 -16.799 1.00 0.00 N ATOM 10030 C4 G B 467 98.295 5.002 -16.731 1.00 0.00 C ATOM 10031 P G B 468 96.515 0.185 -20.144 1.00 0.00 P ATOM 10032 O1P G B 468 96.306 -0.828 -21.200 1.00 0.00 O ATOM 10033 O2P G B 468 95.419 0.321 -19.156 1.00 0.00 O ATOM 10034 O5* G B 468 97.894 -0.102 -19.384 1.00 0.00 O ATOM 10035 C5* G B 468 99.110 -0.180 -20.154 1.00 0.00 C ATOM 10036 C4* G B 468 100.299 -0.331 -19.227 1.00 0.00 C ATOM 10037 O4* G B 468 100.469 0.903 -18.470 1.00 0.00 O ATOM 10038 C3* G B 468 100.173 -1.409 -18.149 1.00 0.00 C ATOM 10039 O3* G B 468 100.527 -2.666 -18.639 1.00 0.00 O ATOM 10040 C2* G B 468 101.133 -0.902 -17.076 1.00 0.00 C ATOM 10041 O2* G B 468 102.479 -1.151 -17.449 1.00 0.00 O ATOM 10042 C1* G B 468 100.921 0.606 -17.160 1.00 0.00 C ATOM 10043 N9 G B 468 99.909 1.121 -16.194 1.00 0.00 N ATOM 10044 C8 G B 468 98.621 1.551 -16.429 1.00 0.00 C ATOM 10045 N7 G B 468 97.987 1.949 -15.353 1.00 0.00 N ATOM 10046 C5 G B 468 98.921 1.771 -14.333 1.00 0.00 C ATOM 10047 C6 G B 468 98.814 2.026 -12.942 1.00 0.00 C ATOM 10048 O6 G B 468 97.858 2.468 -12.312 1.00 0.00 O ATOM 10049 N1 G B 468 99.998 1.700 -12.269 1.00 0.00 N ATOM 10050 C2 G B 468 101.141 1.193 -12.865 1.00 0.00 C ATOM 10051 N2 G B 468 102.168 0.950 -12.047 1.00 0.00 N ATOM 10052 N3 G B 468 101.239 0.955 -14.168 1.00 0.00 N ATOM 10053 C4 G B 468 100.097 1.267 -14.837 1.00 0.00 C ATOM 10054 P G B 469 102.071 -3.595 -18.932 1.00 0.00 P ATOM 10055 O1P G B 469 102.264 -4.675 -17.946 1.00 0.00 O ATOM 10056 O2P G B 469 103.258 -2.753 -19.206 1.00 0.00 O ATOM 10057 O5* G B 469 101.321 -4.275 -20.444 1.00 0.00 O ATOM 10058 C5* G B 469 100.380 -5.263 -20.886 1.00 0.00 C ATOM 10059 C4* G B 469 99.854 -4.931 -22.375 1.00 0.00 C ATOM 10060 O4* G B 469 100.863 -4.605 -23.375 1.00 0.00 O ATOM 10061 C3* G B 469 98.800 -5.710 -23.160 1.00 0.00 C ATOM 10062 O3* G B 469 97.485 -6.157 -22.490 1.00 0.00 O ATOM 10063 C2* G B 469 98.815 -4.996 -24.512 1.00 0.00 C ATOM 10064 O2* G B 469 98.133 -3.757 -24.435 1.00 0.00 O ATOM 10065 C1* G B 469 100.296 -4.679 -24.672 1.00 0.00 C ATOM 10066 N9 G B 469 101.191 -5.848 -25.593 1.00 0.00 N ATOM 10067 C8 G B 469 102.538 -6.139 -25.553 1.00 0.00 C ATOM 10068 N7 G B 469 102.912 -7.045 -26.434 1.00 0.00 N ATOM 10069 C5 G B 469 101.725 -7.370 -27.094 1.00 0.00 C ATOM 10070 C6 G B 469 101.493 -8.291 -28.146 1.00 0.00 C ATOM 10071 O6 G B 469 102.297 -9.019 -28.723 1.00 0.00 O ATOM 10072 N1 G B 469 100.141 -8.314 -28.519 1.00 0.00 N ATOM 10073 C2 G B 469 99.146 -7.544 -27.949 1.00 0.00 C ATOM 10074 N2 G B 469 97.922 -7.711 -28.444 1.00 0.00 N ATOM 10075 N3 G B 469 99.367 -6.681 -26.962 1.00 0.00 N ATOM 10076 C4 G B 469 100.672 -6.649 -26.585 1.00 0.00 C ATOM 10077 P A B 470 96.232 -7.047 -23.515 1.00 0.00 P ATOM 10078 O1P A B 470 96.830 -7.641 -24.727 1.00 0.00 O ATOM 10079 O2P A B 470 95.055 -6.177 -23.733 1.00 0.00 O ATOM 10080 O5* A B 470 95.821 -8.369 -22.299 1.00 0.00 O ATOM 10081 C5* A B 470 95.645 -9.780 -21.951 1.00 0.00 C ATOM 10082 C4* A B 470 94.146 -10.533 -21.999 1.00 0.00 C ATOM 10083 O4* A B 470 93.190 -10.446 -23.099 1.00 0.00 O ATOM 10084 C3* A B 470 93.262 -10.727 -20.766 1.00 0.00 C ATOM 10085 O3* A B 470 93.466 -11.497 -19.463 1.00 0.00 O ATOM 10086 C2* A B 470 92.048 -9.861 -21.101 1.00 0.00 C ATOM 10087 O2* A B 470 92.351 -8.485 -20.921 1.00 0.00 O ATOM 10088 C1* A B 470 91.915 -10.091 -22.604 1.00 0.00 C ATOM 10089 N9 A B 470 90.749 -11.382 -23.066 1.00 0.00 N ATOM 10090 C8 A B 470 91.014 -12.647 -23.547 1.00 0.00 C ATOM 10091 N7 A B 470 89.968 -13.404 -23.641 1.00 0.00 N ATOM 10092 C5 A B 470 88.927 -12.598 -23.197 1.00 0.00 C ATOM 10093 C6 A B 470 87.551 -12.825 -23.051 1.00 0.00 C ATOM 10094 N6 A B 470 86.953 -13.982 -23.359 1.00 0.00 N ATOM 10095 N1 A B 470 86.802 -11.807 -22.581 1.00 0.00 N ATOM 10096 C2 A B 470 87.401 -10.659 -22.281 1.00 0.00 C ATOM 10097 N3 A B 470 88.671 -10.334 -22.372 1.00 0.00 N ATOM 10098 C4 A B 470 89.399 -11.367 -22.844 1.00 0.00 C ATOM 10099 P A B 471 92.416 -13.033 -19.278 1.00 0.00 P ATOM 10100 O1P A B 471 93.246 -14.091 -18.653 1.00 0.00 O ATOM 10101 O2P A B 471 91.796 -13.389 -20.574 1.00 0.00 O ATOM 10102 O5* A B 471 91.050 -12.500 -18.131 1.00 0.00 O ATOM 10103 C5* A B 471 90.191 -12.779 -16.964 1.00 0.00 C ATOM 10104 C4* A B 471 88.556 -12.498 -17.045 1.00 0.00 C ATOM 10105 O4* A B 471 87.622 -13.609 -16.928 1.00 0.00 O ATOM 10106 C3* A B 471 87.820 -11.495 -17.938 1.00 0.00 C ATOM 10107 O3* A B 471 87.105 -10.246 -17.250 1.00 0.00 O ATOM 10108 C2* A B 471 87.079 -12.416 -18.910 1.00 0.00 C ATOM 10109 O2* A B 471 87.967 -12.938 -19.882 1.00 0.00 O ATOM 10110 C1* A B 471 86.688 -13.574 -17.994 1.00 0.00 C ATOM 10111 N9 A B 471 85.171 -13.461 -17.352 1.00 0.00 N ATOM 10112 C8 A B 471 84.786 -12.876 -16.166 1.00 0.00 C ATOM 10113 N7 A B 471 83.503 -12.755 -16.028 1.00 0.00 N ATOM 10114 C5 A B 471 82.987 -13.301 -17.194 1.00 0.00 C ATOM 10115 C6 A B 471 81.674 -13.474 -17.662 1.00 0.00 C ATOM 10116 N6 A B 471 80.590 -13.096 -16.971 1.00 0.00 N ATOM 10117 N1 A B 471 81.516 -14.056 -18.863 1.00 0.00 N ATOM 10118 C2 A B 471 82.598 -14.425 -19.547 1.00 0.00 C ATOM 10119 N3 A B 471 83.867 -14.316 -19.214 1.00 0.00 N ATOM 10120 C4 A B 471 83.997 -13.735 -18.004 1.00 0.00 C ATOM 10121 P A B 472 85.468 -9.751 -17.904 1.00 0.00 P ATOM 10122 O1P A B 472 84.852 -8.640 -17.140 1.00 0.00 O ATOM 10123 O2P A B 472 84.582 -10.902 -18.195 1.00 0.00 O ATOM 10124 O5* A B 472 86.337 -9.138 -19.377 1.00 0.00 O ATOM 10125 C5* A B 472 87.459 -8.441 -18.814 1.00 0.00 C ATOM 10126 C4* A B 472 87.554 -6.908 -19.194 1.00 0.00 C ATOM 10127 O4* A B 472 87.006 -6.498 -20.481 1.00 0.00 O ATOM 10128 C3* A B 472 87.205 -5.747 -18.256 1.00 0.00 C ATOM 10129 O3* A B 472 88.232 -6.017 -17.114 1.00 0.00 O ATOM 10130 C2* A B 472 87.362 -4.541 -19.179 1.00 0.00 C ATOM 10131 O2* A B 472 88.730 -4.233 -19.382 1.00 0.00 O ATOM 10132 C1* A B 472 86.832 -5.091 -20.502 1.00 0.00 C ATOM 10133 N9 A B 472 85.219 -4.765 -20.798 1.00 0.00 N ATOM 10134 C8 A B 472 84.143 -5.613 -20.682 1.00 0.00 C ATOM 10135 N7 A B 472 83.040 -5.135 -21.174 1.00 0.00 N ATOM 10136 C5 A B 472 83.399 -3.883 -21.647 1.00 0.00 C ATOM 10137 C6 A B 472 82.668 -2.861 -22.280 1.00 0.00 C ATOM 10138 N6 A B 472 81.358 -2.963 -22.568 1.00 0.00 N ATOM 10139 N1 A B 472 83.330 -1.744 -22.619 1.00 0.00 N ATOM 10140 C2 A B 472 84.626 -1.655 -22.332 1.00 0.00 C ATOM 10141 N3 A B 472 85.412 -2.529 -21.745 1.00 0.00 N ATOM 10142 C4 A B 472 84.724 -3.649 -21.419 1.00 0.00 C ATOM 10143 P G B 473 88.384 -4.947 -15.670 1.00 0.00 P ATOM 10144 O1P G B 473 89.656 -4.194 -15.645 1.00 0.00 O ATOM 10145 O2P G B 473 88.011 -5.627 -14.408 1.00 0.00 O ATOM 10146 O5* G B 473 87.193 -3.982 -16.134 1.00 0.00 O ATOM 10147 C5* G B 473 87.513 -2.778 -16.857 1.00 0.00 C ATOM 10148 C4* G B 473 86.241 -2.087 -17.303 1.00 0.00 C ATOM 10149 O4* G B 473 85.585 -2.911 -18.309 1.00 0.00 O ATOM 10150 C3* G B 473 85.171 -1.902 -16.225 1.00 0.00 C ATOM 10151 O3* G B 473 85.403 -0.756 -15.466 1.00 0.00 O ATOM 10152 C2* G B 473 83.892 -1.809 -17.055 1.00 0.00 C ATOM 10153 O2* G B 473 83.782 -0.535 -17.666 1.00 0.00 O ATOM 10154 C1* G B 473 84.174 -2.814 -18.167 1.00 0.00 C ATOM 10155 N9 G B 473 83.644 -4.178 -17.891 1.00 0.00 N ATOM 10156 C8 G B 473 84.324 -5.319 -17.534 1.00 0.00 C ATOM 10157 N7 G B 473 83.553 -6.367 -17.363 1.00 0.00 N ATOM 10158 C5 G B 473 82.270 -5.886 -17.629 1.00 0.00 C ATOM 10159 C6 G B 473 81.020 -6.553 -17.606 1.00 0.00 C ATOM 10160 O6 G B 473 80.780 -7.728 -17.342 1.00 0.00 O ATOM 10161 N1 G B 473 79.972 -5.684 -17.938 1.00 0.00 N ATOM 10162 C2 G B 473 80.115 -4.347 -18.251 1.00 0.00 C ATOM 10163 N2 G B 473 78.988 -3.689 -18.541 1.00 0.00 N ATOM 10164 N3 G B 473 81.288 -3.721 -18.271 1.00 0.00 N ATOM 10165 C4 G B 473 82.319 -4.550 -17.952 1.00 0.00 C ATOM 10166 P G B 474 84.997 -0.767 -13.885 1.00 0.00 P ATOM 10167 O1P G B 474 85.643 0.363 -13.183 1.00 0.00 O ATOM 10168 O2P G B 474 85.257 -2.110 -13.319 1.00 0.00 O ATOM 10169 O5* G B 474 83.418 -0.516 -13.978 1.00 0.00 O ATOM 10170 C5* G B 474 82.938 0.695 -14.584 1.00 0.00 C ATOM 10171 C4* G B 474 81.426 0.667 -14.681 1.00 0.00 C ATOM 10172 O4* G B 474 81.035 -0.358 -15.638 1.00 0.00 O ATOM 10173 C3* G B 474 80.687 0.275 -13.400 1.00 0.00 C ATOM 10174 O3* G B 474 80.508 1.371 -12.556 1.00 0.00 O ATOM 10175 C2* G B 474 79.369 -0.270 -13.945 1.00 0.00 C ATOM 10176 O2* G B 474 78.518 0.788 -14.352 1.00 0.00 O ATOM 10177 C1* G B 474 79.831 -0.979 -15.216 1.00 0.00 C ATOM 10178 N9 G B 474 80.104 -2.431 -15.024 1.00 0.00 N ATOM 10179 C8 G B 474 81.315 -3.087 -14.957 1.00 0.00 C ATOM 10180 N7 G B 474 81.209 -4.381 -14.780 1.00 0.00 N ATOM 10181 C5 G B 474 79.834 -4.599 -14.725 1.00 0.00 C ATOM 10182 C6 G B 474 79.104 -5.804 -14.547 1.00 0.00 C ATOM 10183 O6 G B 474 79.528 -6.946 -14.400 1.00 0.00 O ATOM 10184 N1 G B 474 77.721 -5.569 -14.552 1.00 0.00 N ATOM 10185 C2 G B 474 77.122 -4.333 -14.709 1.00 0.00 C ATOM 10186 N2 G B 474 75.789 -4.321 -14.683 1.00 0.00 N ATOM 10187 N3 G B 474 77.809 -3.205 -14.874 1.00 0.00 N ATOM 10188 C4 G B 474 79.151 -3.414 -14.871 1.00 0.00 C ATOM 10189 P C B 475 80.539 1.130 -10.941 1.00 0.00 P ATOM 10190 O1P C B 475 80.702 2.420 -10.236 1.00 0.00 O ATOM 10191 O2P C B 475 81.541 0.088 -10.617 1.00 0.00 O ATOM 10192 O5* C B 475 79.065 0.560 -10.693 1.00 0.00 O ATOM 10193 C5* C B 475 77.933 1.382 -11.029 1.00 0.00 C ATOM 10194 C4* C B 475 76.649 0.601 -10.834 1.00 0.00 C ATOM 10195 O4* C B 475 76.587 -0.464 -11.824 1.00 0.00 O ATOM 10196 C3* C B 475 76.512 -0.128 -9.495 1.00 0.00 C ATOM 10197 O3* C B 475 76.029 0.715 -8.497 1.00 0.00 O ATOM 10198 C2* C B 475 75.533 -1.249 -9.844 1.00 0.00 C ATOM 10199 O2* C B 475 74.209 -0.750 -9.935 1.00 0.00 O ATOM 10200 C1* C B 475 75.970 -1.610 -11.260 1.00 0.00 C ATOM 10201 N1 C B 475 76.946 -2.733 -11.319 1.00 0.00 N ATOM 10202 C2 C B 475 76.469 -4.020 -11.085 1.00 0.00 C ATOM 10203 O2 C B 475 75.266 -4.176 -10.842 1.00 0.00 O ATOM 10204 N3 C B 475 77.341 -5.060 -11.133 1.00 0.00 N ATOM 10205 C4 C B 475 78.637 -4.852 -11.398 1.00 0.00 C ATOM 10206 N4 C B 475 79.448 -5.897 -11.433 1.00 0.00 N ATOM 10207 C5 C B 475 79.148 -3.535 -11.640 1.00 0.00 C ATOM 10208 C6 C B 475 78.260 -2.511 -11.587 1.00 0.00 C ATOM 10209 P G B 476 76.551 0.496 -6.966 1.00 0.00 P ATOM 10210 O1P G B 476 76.230 1.683 -6.141 1.00 0.00 O ATOM 10211 O2P G B 476 77.972 0.088 -6.983 1.00 0.00 O ATOM 10212 O5* G B 476 75.637 -0.739 -6.512 1.00 0.00 O ATOM 10213 C5* G B 476 74.207 -0.586 -6.514 1.00 0.00 C ATOM 10214 C4* G B 476 73.546 -1.906 -6.174 1.00 0.00 C ATOM 10215 O4* G B 476 73.777 -2.843 -7.265 1.00 0.00 O ATOM 10216 C3* G B 476 74.096 -2.632 -4.946 1.00 0.00 C ATOM 10217 O3* G B 476 73.515 -2.158 -3.771 1.00 0.00 O ATOM 10218 C2* G B 476 73.729 -4.083 -5.238 1.00 0.00 C ATOM 10219 O2* G B 476 72.349 -4.312 -5.002 1.00 0.00 O ATOM 10220 C1* G B 476 73.939 -4.154 -6.748 1.00 0.00 C ATOM 10221 N9 G B 476 75.292 -4.639 -7.140 1.00 0.00 N ATOM 10222 C8 G B 476 76.358 -3.928 -7.649 1.00 0.00 C ATOM 10223 N7 G B 476 77.418 -4.662 -7.895 1.00 0.00 N ATOM 10224 C5 G B 476 77.027 -5.947 -7.521 1.00 0.00 C ATOM 10225 C6 G B 476 77.749 -7.168 -7.557 1.00 0.00 C ATOM 10226 O6 G B 476 78.900 -7.371 -7.930 1.00 0.00 O ATOM 10227 N1 G B 476 76.970 -8.234 -7.087 1.00 0.00 N ATOM 10228 C2 G B 476 75.668 -8.136 -6.641 1.00 0.00 C ATOM 10229 N2 G B 476 75.099 -9.273 -6.232 1.00 0.00 N ATOM 10230 N3 G B 476 74.992 -6.989 -6.608 1.00 0.00 N ATOM 10231 C4 G B 476 75.731 -5.944 -7.062 1.00 0.00 C ATOM 10232 P A B 477 74.560 -1.670 -2.243 1.00 0.00 P ATOM 10233 O1P A B 477 74.179 -2.613 -1.168 1.00 0.00 O ATOM 10234 O2P A B 477 74.252 -0.244 -1.986 1.00 0.00 O ATOM 10235 O5* A B 477 76.444 -1.775 -2.426 1.00 0.00 O ATOM 10236 C5* A B 477 77.755 -1.478 -1.670 1.00 0.00 C ATOM 10237 C4* A B 477 78.947 -2.666 -1.781 1.00 0.00 C ATOM 10238 O4* A B 477 78.426 -3.353 -2.956 1.00 0.00 O ATOM 10239 C3* A B 477 80.468 -2.713 -1.974 1.00 0.00 C ATOM 10240 O3* A B 477 81.640 -1.684 -2.516 1.00 0.00 O ATOM 10241 C2* A B 477 80.666 -4.081 -2.624 1.00 0.00 C ATOM 10242 O2* A B 477 80.557 -5.117 -1.662 1.00 0.00 O ATOM 10243 C1* A B 477 79.437 -4.176 -3.520 1.00 0.00 C ATOM 10244 N9 A B 477 79.689 -3.690 -5.099 1.00 0.00 N ATOM 10245 C8 A B 477 79.200 -4.259 -6.255 1.00 0.00 C ATOM 10246 N7 A B 477 79.405 -3.545 -7.318 1.00 0.00 N ATOM 10247 C5 A B 477 80.072 -2.423 -6.848 1.00 0.00 C ATOM 10248 C6 A B 477 80.574 -1.281 -7.493 1.00 0.00 C ATOM 10249 N6 A B 477 80.473 -1.067 -8.808 1.00 0.00 N ATOM 10250 N1 A B 477 81.191 -0.355 -6.726 1.00 0.00 N ATOM 10251 C2 A B 477 81.287 -0.572 -5.414 1.00 0.00 C ATOM 10252 N3 A B 477 80.861 -1.596 -4.707 1.00 0.00 N ATOM 10253 C4 A B 477 80.247 -2.503 -5.495 1.00 0.00 C ATOM 10254 P A B 478 83.141 -2.394 -3.485 1.00 0.00 P ATOM 10255 O1P A B 478 82.600 -3.413 -4.418 1.00 0.00 O ATOM 10256 O2P A B 478 84.137 -2.880 -2.503 1.00 0.00 O ATOM 10257 O5* A B 478 83.996 -1.069 -4.573 1.00 0.00 O ATOM 10258 C5* A B 478 84.526 -0.565 -5.948 1.00 0.00 C ATOM 10259 C4* A B 478 86.020 0.055 -6.591 1.00 0.00 C ATOM 10260 O4* A B 478 85.895 1.489 -6.844 1.00 0.00 O ATOM 10261 C3* A B 478 87.405 -0.084 -5.953 1.00 0.00 C ATOM 10262 O3* A B 478 88.362 -1.407 -6.506 1.00 0.00 O ATOM 10263 C2* A B 478 88.210 0.974 -6.704 1.00 0.00 C ATOM 10264 O2* A B 478 88.549 0.522 -8.004 1.00 0.00 O ATOM 10265 C1* A B 478 87.181 2.086 -6.870 1.00 0.00 C ATOM 10266 N9 A B 478 87.326 2.965 -8.293 1.00 0.00 N ATOM 10267 C8 A B 478 86.333 3.565 -9.033 1.00 0.00 C ATOM 10268 N7 A B 478 86.771 4.314 -10.001 1.00 0.00 N ATOM 10269 C5 A B 478 88.153 4.211 -9.902 1.00 0.00 C ATOM 10270 C6 A B 478 89.198 4.777 -10.641 1.00 0.00 C ATOM 10271 N6 A B 478 89.009 5.599 -11.685 1.00 0.00 N ATOM 10272 N1 A B 478 90.461 4.470 -10.276 1.00 0.00 N ATOM 10273 C2 A B 478 90.642 3.652 -9.242 1.00 0.00 C ATOM 10274 N3 A B 478 89.747 3.066 -8.472 1.00 0.00 N ATOM 10275 C4 A B 478 88.495 3.393 -8.861 1.00 0.00 C ATOM 10276 P A B 479 90.085 -1.647 -7.371 1.00 0.00 P ATOM 10277 O1P A B 479 91.111 -1.010 -6.516 1.00 0.00 O ATOM 10278 O2P A B 479 90.059 -1.196 -8.785 1.00 0.00 O ATOM 10279 O5* A B 479 90.545 -3.491 -7.517 1.00 0.00 O ATOM 10280 C5* A B 479 91.313 -4.797 -7.456 1.00 0.00 C ATOM 10281 C4* A B 479 92.305 -5.156 -8.766 1.00 0.00 C ATOM 10282 O4* A B 479 92.185 -3.923 -9.545 1.00 0.00 O ATOM 10283 C3* A B 479 93.806 -5.435 -8.749 1.00 0.00 C ATOM 10284 O3* A B 479 94.439 -6.850 -8.575 1.00 0.00 O ATOM 10285 C2* A B 479 94.234 -4.969 -10.140 1.00 0.00 C ATOM 10286 O2* A B 479 93.866 -5.921 -11.123 1.00 0.00 O ATOM 10287 C1* A B 479 93.340 -3.751 -10.341 1.00 0.00 C ATOM 10288 N9 A B 479 94.042 -2.302 -9.935 1.00 0.00 N ATOM 10289 C8 A B 479 94.060 -1.677 -8.713 1.00 0.00 C ATOM 10290 N7 A B 479 94.534 -0.468 -8.744 1.00 0.00 N ATOM 10291 C5 A B 479 94.856 -0.270 -10.080 1.00 0.00 C ATOM 10292 C6 A B 479 95.412 0.822 -10.771 1.00 0.00 C ATOM 10293 N6 A B 479 95.754 1.974 -10.172 1.00 0.00 N ATOM 10294 N1 A B 479 95.602 0.684 -12.094 1.00 0.00 N ATOM 10295 C2 A B 479 95.263 -0.466 -12.676 1.00 0.00 C ATOM 10296 N3 A B 479 94.741 -1.545 -12.139 1.00 0.00 N ATOM 10297 C4 A B 479 94.563 -1.385 -10.810 1.00 0.00 C ATOM 10298 P A B 480 96.286 -6.935 -8.830 1.00 0.00 P ATOM 10299 O1P A B 480 96.832 -8.120 -8.134 1.00 0.00 O ATOM 10300 O2P A B 480 96.900 -5.634 -8.476 1.00 0.00 O ATOM 10301 O5* A B 480 96.426 -7.214 -10.656 1.00 0.00 O ATOM 10302 C5* A B 480 97.291 -7.405 -11.832 1.00 0.00 C ATOM 10303 C4* A B 480 98.885 -7.677 -11.591 1.00 0.00 C ATOM 10304 O4* A B 480 99.288 -8.626 -10.559 1.00 0.00 O ATOM 10305 C3* A B 480 100.049 -7.689 -12.577 1.00 0.00 C ATOM 10306 O3* A B 480 100.225 -6.709 -13.725 1.00 0.00 O ATOM 10307 C2* A B 480 101.255 -7.851 -11.654 1.00 0.00 C ATOM 10308 O2* A B 480 101.554 -6.633 -10.997 1.00 0.00 O ATOM 10309 C1* A B 480 100.697 -8.797 -10.591 1.00 0.00 C ATOM 10310 N9 A B 480 101.028 -10.430 -10.860 1.00 0.00 N ATOM 10311 C8 A B 480 100.173 -11.414 -11.315 1.00 0.00 C ATOM 10312 N7 A B 480 100.761 -12.544 -11.553 1.00 0.00 N ATOM 10313 C5 A B 480 102.090 -12.306 -11.240 1.00 0.00 C ATOM 10314 C6 A B 480 103.237 -13.121 -11.283 1.00 0.00 C ATOM 10315 N6 A B 480 103.214 -14.404 -11.678 1.00 0.00 N ATOM 10316 N1 A B 480 104.399 -12.572 -10.903 1.00 0.00 N ATOM 10317 C2 A B 480 104.413 -11.297 -10.513 1.00 0.00 C ATOM 10318 N3 A B 480 103.415 -10.442 -10.435 1.00 0.00 N ATOM 10319 C4 A B 480 102.260 -11.018 -10.822 1.00 0.00 C ATOM 10320 P G B 481 101.404 -7.211 -15.065 1.00 0.00 P ATOM 10321 O1P G B 481 102.210 -6.041 -15.479 1.00 0.00 O ATOM 10322 O2P G B 481 100.668 -7.902 -16.142 1.00 0.00 O ATOM 10323 O5* G B 481 102.469 -8.406 -14.148 1.00 0.00 O ATOM 10324 C5* G B 481 103.690 -9.162 -13.847 1.00 0.00 C ATOM 10325 C4* G B 481 104.222 -10.208 -14.987 1.00 0.00 C ATOM 10326 O4* G B 481 104.191 -9.767 -16.377 1.00 0.00 O ATOM 10327 C3* G B 481 105.397 -11.184 -14.940 1.00 0.00 C ATOM 10328 O3* G B 481 105.752 -12.119 -13.768 1.00 0.00 O ATOM 10329 C2* G B 481 105.307 -11.860 -16.307 1.00 0.00 C ATOM 10330 O2* G B 481 104.257 -12.812 -16.326 1.00 0.00 O ATOM 10331 C1* G B 481 104.872 -10.707 -17.197 1.00 0.00 C ATOM 10332 N9 G B 481 106.162 -9.892 -17.999 1.00 0.00 N ATOM 10333 C8 G B 481 107.516 -10.104 -17.901 1.00 0.00 C ATOM 10334 N7 G B 481 108.238 -9.410 -18.750 1.00 0.00 N ATOM 10335 C5 G B 481 107.285 -8.682 -19.464 1.00 0.00 C ATOM 10336 C6 G B 481 107.452 -7.750 -20.520 1.00 0.00 C ATOM 10337 O6 G B 481 108.492 -7.367 -21.053 1.00 0.00 O ATOM 10338 N1 G B 481 106.220 -7.245 -20.959 1.00 0.00 N ATOM 10339 C2 G B 481 104.985 -7.598 -20.444 1.00 0.00 C ATOM 10340 N2 G B 481 103.930 -7.002 -20.999 1.00 0.00 N ATOM 10341 N3 G B 481 104.829 -8.472 -19.453 1.00 0.00 N ATOM 10342 C4 G B 481 106.016 -8.966 -19.017 1.00 0.00 C ATOM 10343 P A B 482 107.570 -12.364 -13.500 1.00 0.00 P ATOM 10344 O1P A B 482 107.926 -11.941 -12.131 1.00 0.00 O ATOM 10345 O2P A B 482 108.356 -11.749 -14.593 1.00 0.00 O ATOM 10346 O5* A B 482 107.653 -14.202 -13.652 1.00 0.00 O ATOM 10347 C5* A B 482 108.398 -15.453 -13.871 1.00 0.00 C ATOM 10348 C4* A B 482 109.873 -15.584 -13.134 1.00 0.00 C ATOM 10349 O4* A B 482 110.123 -14.456 -12.245 1.00 0.00 O ATOM 10350 C3* A B 482 110.339 -16.802 -12.332 1.00 0.00 C ATOM 10351 O3* A B 482 110.440 -18.236 -12.822 1.00 0.00 O ATOM 10352 C2* A B 482 111.544 -16.238 -11.580 1.00 0.00 C ATOM 10353 O2* A B 482 112.667 -16.124 -12.441 1.00 0.00 O ATOM 10354 C1* A B 482 111.083 -14.819 -11.264 1.00 0.00 C ATOM 10355 N9 A B 482 110.380 -14.628 -9.735 1.00 0.00 N ATOM 10356 C8 A B 482 110.865 -13.928 -8.652 1.00 0.00 C ATOM 10357 N7 A B 482 110.029 -13.839 -7.667 1.00 0.00 N ATOM 10358 C5 A B 482 108.907 -14.525 -8.113 1.00 0.00 C ATOM 10359 C6 A B 482 107.665 -14.792 -7.523 1.00 0.00 C ATOM 10360 N6 A B 482 107.324 -14.381 -6.293 1.00 0.00 N ATOM 10361 N1 A B 482 106.778 -15.505 -8.240 1.00 0.00 N ATOM 10362 C2 A B 482 107.119 -15.909 -9.464 1.00 0.00 C ATOM 10363 N3 A B 482 108.244 -15.719 -10.115 1.00 0.00 N ATOM 10364 C4 A B 482 109.115 -15.009 -9.375 1.00 0.00 C ATOM 10365 P A B 483 111.701 -18.807 -14.063 1.00 0.00 P ATOM 10366 O1P A B 483 111.407 -18.186 -15.373 1.00 0.00 O ATOM 10367 O2P A B 483 111.700 -20.283 -14.038 1.00 0.00 O ATOM 10368 O5* A B 483 113.332 -18.223 -13.368 1.00 0.00 O ATOM 10369 C5* A B 483 114.816 -17.992 -13.093 1.00 0.00 C ATOM 10370 C4* A B 483 115.890 -17.973 -14.492 1.00 0.00 C ATOM 10371 O4* A B 483 115.153 -17.296 -15.546 1.00 0.00 O ATOM 10372 C3* A B 483 116.419 -19.243 -15.163 1.00 0.00 C ATOM 10373 O3* A B 483 118.038 -19.366 -15.911 1.00 0.00 O ATOM 10374 C2* A B 483 115.269 -19.603 -16.108 1.00 0.00 C ATOM 10375 O2* A B 483 114.196 -20.187 -15.394 1.00 0.00 O ATOM 10376 C1* A B 483 114.801 -18.223 -16.561 1.00 0.00 C ATOM 10377 N9 A B 483 115.448 -17.716 -17.964 1.00 0.00 N ATOM 10378 C8 A B 483 115.543 -16.428 -18.450 1.00 0.00 C ATOM 10379 N7 A B 483 115.961 -16.356 -19.675 1.00 0.00 N ATOM 10380 C5 A B 483 116.166 -17.681 -20.038 1.00 0.00 C ATOM 10381 C6 A B 483 116.616 -18.278 -21.223 1.00 0.00 C ATOM 10382 N6 A B 483 116.953 -17.586 -22.321 1.00 0.00 N ATOM 10383 N1 A B 483 116.702 -19.621 -21.247 1.00 0.00 N ATOM 10384 C2 A B 483 116.366 -20.303 -20.155 1.00 0.00 C ATOM 10385 N3 A B 483 115.937 -19.857 -18.996 1.00 0.00 N ATOM 10386 C4 A B 483 115.858 -18.513 -18.999 1.00 0.00 C ATOM 10387 P C B 484 119.177 -20.764 -16.653 1.00 0.00 P ATOM 10388 O1P C B 484 120.012 -21.213 -15.516 1.00 0.00 O ATOM 10389 O2P C B 484 119.817 -20.821 -17.986 1.00 0.00 O ATOM 10390 O5* C B 484 117.804 -21.588 -16.672 1.00 0.00 O ATOM 10391 C5* C B 484 116.566 -20.880 -16.860 1.00 0.00 C ATOM 10392 C4* C B 484 115.418 -21.861 -16.970 1.00 0.00 C ATOM 10393 O4* C B 484 115.558 -22.614 -18.210 1.00 0.00 O ATOM 10394 C3* C B 484 115.358 -22.943 -15.891 1.00 0.00 C ATOM 10395 O3* C B 484 114.719 -22.484 -14.743 1.00 0.00 O ATOM 10396 C2* C B 484 114.583 -24.055 -16.593 1.00 0.00 C ATOM 10397 O2* C B 484 113.200 -23.749 -16.644 1.00 0.00 O ATOM 10398 C1* C B 484 115.116 -23.948 -18.019 1.00 0.00 C ATOM 10399 N1 C B 484 116.256 -24.857 -18.303 1.00 0.00 N ATOM 10400 C2 C B 484 115.987 -26.214 -18.457 1.00 0.00 C ATOM 10401 O2 C B 484 114.817 -26.604 -18.350 1.00 0.00 O ATOM 10402 N3 C B 484 117.016 -27.060 -18.713 1.00 0.00 N ATOM 10403 C4 C B 484 118.269 -26.600 -18.819 1.00 0.00 C ATOM 10404 N4 C B 484 119.239 -27.468 -19.070 1.00 0.00 N ATOM 10405 C5 C B 484 118.572 -25.209 -18.666 1.00 0.00 C ATOM 10406 C6 C B 484 117.529 -24.381 -18.408 1.00 0.00 C ATOM 10407 P C B 485 115.222 -23.034 -13.290 1.00 0.00 P ATOM 10408 O1P C B 485 114.689 -22.178 -12.205 1.00 0.00 O ATOM 10409 O2P C B 485 116.689 -23.212 -13.310 1.00 0.00 O ATOM 10410 O5* C B 485 114.502 -24.465 -13.250 1.00 0.00 O ATOM 10411 C5* C B 485 113.066 -24.530 -13.314 1.00 0.00 C ATOM 10412 C4* C B 485 112.614 -25.974 -13.387 1.00 0.00 C ATOM 10413 O4* C B 485 113.025 -26.532 -14.667 1.00 0.00 O ATOM 10414 C3* C B 485 113.235 -26.918 -12.357 1.00 0.00 C ATOM 10415 O3* C B 485 112.550 -26.875 -11.144 1.00 0.00 O ATOM 10416 C2* C B 485 113.113 -28.273 -13.053 1.00 0.00 C ATOM 10417 O2* C B 485 111.782 -28.755 -12.989 1.00 0.00 O ATOM 10418 C1* C B 485 113.380 -27.898 -14.505 1.00 0.00 C ATOM 10419 N1 C B 485 114.803 -28.053 -14.913 1.00 0.00 N ATOM 10420 C2 C B 485 115.283 -29.344 -15.112 1.00 0.00 C ATOM 10421 O2 C B 485 114.517 -30.299 -14.944 1.00 0.00 O ATOM 10422 N3 C B 485 116.580 -29.507 -15.483 1.00 0.00 N ATOM 10423 C4 C B 485 117.379 -28.449 -15.658 1.00 0.00 C ATOM 10424 N4 C B 485 118.635 -28.662 -16.023 1.00 0.00 N ATOM 10425 C5 C B 485 116.904 -27.112 -15.462 1.00 0.00 C ATOM 10426 C6 C B 485 115.606 -26.970 -15.089 1.00 0.00 C ATOM 10427 P C B 486 113.392 -27.075 -9.759 1.00 0.00 P ATOM 10428 O1P C B 486 112.584 -26.636 -8.601 1.00 0.00 O ATOM 10429 O2P C B 486 114.720 -26.436 -9.896 1.00 0.00 O ATOM 10430 O5* C B 486 113.554 -28.666 -9.733 1.00 0.00 O ATOM 10431 C5* C B 486 112.374 -29.490 -9.695 1.00 0.00 C ATOM 10432 C4* C B 486 112.758 -30.951 -9.806 1.00 0.00 C ATOM 10433 O4* C B 486 113.290 -31.201 -11.137 1.00 0.00 O ATOM 10434 C3* C B 486 113.873 -31.417 -8.869 1.00 0.00 C ATOM 10435 O3* C B 486 113.380 -31.748 -7.609 1.00 0.00 O ATOM 10436 C2* C B 486 114.433 -32.626 -9.618 1.00 0.00 C ATOM 10437 O2* C B 486 113.574 -33.745 -9.478 1.00 0.00 O ATOM 10438 C1* C B 486 114.329 -32.163 -11.066 1.00 0.00 C ATOM 10439 N1 C B 486 115.576 -31.535 -11.585 1.00 0.00 N ATOM 10440 C2 C B 486 116.651 -32.367 -11.876 1.00 0.00 C ATOM 10441 O2 C B 486 116.529 -33.586 -11.696 1.00 0.00 O ATOM 10442 N3 C B 486 117.797 -31.814 -12.349 1.00 0.00 N ATOM 10443 C4 C B 486 117.888 -30.489 -12.530 1.00 0.00 C ATOM 10444 N4 C B 486 119.027 -29.998 -12.995 1.00 0.00 N ATOM 10445 C5 C B 486 116.795 -29.615 -12.238 1.00 0.00 C ATOM 10446 C6 C B 486 115.659 -30.189 -11.765 1.00 0.00 C ATOM 10447 P C B 487 114.313 -31.467 -6.300 1.00 0.00 P ATOM 10448 O1P C B 487 113.501 -31.531 -5.065 1.00 0.00 O ATOM 10449 O2P C B 487 115.080 -30.219 -6.504 1.00 0.00 O ATOM 10450 O5* C B 487 115.303 -32.725 -6.363 1.00 0.00 O ATOM 10451 C5* C B 487 114.751 -34.052 -6.277 1.00 0.00 C ATOM 10452 C4* C B 487 115.843 -35.083 -6.481 1.00 0.00 C ATOM 10453 O4* C B 487 116.309 -35.007 -7.861 1.00 0.00 O ATOM 10454 C3* C B 487 117.112 -34.878 -5.654 1.00 0.00 C ATOM 10455 O3* C B 487 116.981 -35.425 -4.379 1.00 0.00 O ATOM 10456 C2* C B 487 118.163 -35.598 -6.496 1.00 0.00 C ATOM 10457 O2* C B 487 118.049 -37.005 -6.350 1.00 0.00 O ATOM 10458 C1* C B 487 117.704 -35.264 -7.912 1.00 0.00 C ATOM 10459 N1 C B 487 118.373 -34.064 -8.489 1.00 0.00 N ATOM 10460 C2 C B 487 119.695 -34.193 -8.898 1.00 0.00 C ATOM 10461 O2 C B 487 120.257 -35.287 -8.767 1.00 0.00 O ATOM 10462 N3 C B 487 120.324 -33.111 -9.426 1.00 0.00 N ATOM 10463 C4 C B 487 119.681 -31.941 -9.553 1.00 0.00 C ATOM 10464 N4 C B 487 120.336 -30.918 -10.073 1.00 0.00 N ATOM 10465 C5 C B 487 118.317 -31.789 -9.136 1.00 0.00 C ATOM 10466 C6 C B 487 117.708 -32.882 -8.612 1.00 0.00 C ATOM 10467 P G B 488 115.701 -35.669 -3.148 1.00 0.00 P ATOM 10468 O1P G B 488 115.164 -37.051 -3.112 1.00 0.00 O ATOM 10469 O2P G B 488 114.705 -34.586 -2.990 1.00 0.00 O ATOM 10470 O5* G B 488 117.188 -35.448 -2.116 1.00 0.00 O ATOM 10471 C5* G B 488 117.922 -34.278 -2.584 1.00 0.00 C ATOM 10472 C4* G B 488 119.370 -34.267 -3.449 1.00 0.00 C ATOM 10473 O4* G B 488 120.486 -35.061 -2.945 1.00 0.00 O ATOM 10474 C3* G B 488 120.016 -32.946 -3.860 1.00 0.00 C ATOM 10475 O3* G B 488 119.143 -31.696 -4.022 1.00 0.00 O ATOM 10476 C2* G B 488 121.098 -32.770 -2.795 1.00 0.00 C ATOM 10477 O2* G B 488 120.527 -32.339 -1.570 1.00 0.00 O ATOM 10478 C1* G B 488 121.561 -34.210 -2.585 1.00 0.00 C ATOM 10479 N9 G B 488 122.945 -34.662 -3.509 1.00 0.00 N ATOM 10480 C8 G B 488 123.051 -35.599 -4.510 1.00 0.00 C ATOM 10481 N7 G B 488 124.273 -35.766 -4.957 1.00 0.00 N ATOM 10482 C5 G B 488 125.030 -34.875 -4.195 1.00 0.00 C ATOM 10483 C6 G B 488 126.419 -34.604 -4.218 1.00 0.00 C ATOM 10484 O6 G B 488 127.291 -35.105 -4.928 1.00 0.00 O ATOM 10485 N1 G B 488 126.768 -33.628 -3.272 1.00 0.00 N ATOM 10486 C2 G B 488 125.885 -32.994 -2.422 1.00 0.00 C ATOM 10487 N2 G B 488 126.418 -32.088 -1.595 1.00 0.00 N ATOM 10488 N3 G B 488 124.582 -33.251 -2.402 1.00 0.00 N ATOM 10489 C4 G B 488 124.225 -34.198 -3.308 1.00 0.00 C ATOM 10490 H8 G B 488 122.152 -36.121 -4.927 1.00 0.00 H ATOM 10491 H1 G B 488 128.156 -33.244 -3.172 1.00 0.00 H ATOM 10492 P G B 489 119.169 -30.864 -5.645 1.00 0.00 P ATOM 10493 O1P G B 489 117.886 -31.063 -6.352 1.00 0.00 O ATOM 10494 O2P G B 489 120.389 -31.154 -6.431 1.00 0.00 O ATOM 10495 O5* G B 489 119.174 -29.199 -4.929 1.00 0.00 O ATOM 10496 C5* G B 489 118.417 -28.062 -5.375 1.00 0.00 C ATOM 10497 C4* G B 489 118.815 -26.842 -4.411 1.00 0.00 C ATOM 10498 O4* G B 489 119.690 -27.228 -3.310 1.00 0.00 O ATOM 10499 C3* G B 489 119.388 -25.505 -4.880 1.00 0.00 C ATOM 10500 O3* G B 489 118.340 -24.621 -5.601 1.00 0.00 O ATOM 10501 C2* G B 489 119.848 -24.873 -3.569 1.00 0.00 C ATOM 10502 O2* G B 489 118.737 -24.368 -2.839 1.00 0.00 O ATOM 10503 C1* G B 489 120.364 -26.088 -2.804 1.00 0.00 C ATOM 10504 N9 G B 489 122.089 -26.361 -2.943 1.00 0.00 N ATOM 10505 C8 G B 489 123.132 -25.596 -2.464 1.00 0.00 C ATOM 10506 N7 G B 489 124.314 -26.131 -2.650 1.00 0.00 N ATOM 10507 C5 G B 489 124.035 -27.334 -3.297 1.00 0.00 C ATOM 10508 C6 G B 489 124.913 -28.348 -3.757 1.00 0.00 C ATOM 10509 O6 G B 489 126.138 -28.397 -3.687 1.00 0.00 O ATOM 10510 N1 G B 489 124.209 -29.400 -4.359 1.00 0.00 N ATOM 10511 C2 G B 489 122.836 -29.464 -4.502 1.00 0.00 C ATOM 10512 N2 G B 489 122.355 -30.555 -5.104 1.00 0.00 N ATOM 10513 N3 G B 489 122.012 -28.511 -4.068 1.00 0.00 N ATOM 10514 C4 G B 489 122.680 -27.484 -3.480 1.00 0.00 C ATOM 10515 P C B 490 118.610 -24.186 -7.354 1.00 0.00 P ATOM 10516 O1P C B 490 117.382 -23.629 -7.967 1.00 0.00 O ATOM 10517 O2P C B 490 119.264 -25.282 -8.101 1.00 0.00 O ATOM 10518 O5* C B 490 119.780 -22.861 -6.905 1.00 0.00 O ATOM 10519 C5* C B 490 120.010 -21.480 -7.245 1.00 0.00 C ATOM 10520 C4* C B 490 121.458 -20.876 -6.824 1.00 0.00 C ATOM 10521 O4* C B 490 121.643 -20.462 -5.442 1.00 0.00 O ATOM 10522 C3* C B 490 122.799 -21.496 -7.207 1.00 0.00 C ATOM 10523 O3* C B 490 123.057 -21.462 -8.734 1.00 0.00 O ATOM 10524 C2* C B 490 123.787 -20.609 -6.454 1.00 0.00 C ATOM 10525 O2* C B 490 123.949 -19.363 -7.109 1.00 0.00 O ATOM 10526 C1* C B 490 123.031 -20.331 -5.161 1.00 0.00 C ATOM 10527 N1 C B 490 123.419 -21.377 -3.872 1.00 0.00 N ATOM 10528 C2 C B 490 124.740 -21.414 -3.444 1.00 0.00 C ATOM 10529 O2 C B 490 125.578 -20.710 -4.019 1.00 0.00 O ATOM 10530 N3 C B 490 125.071 -22.231 -2.410 1.00 0.00 N ATOM 10531 C4 C B 490 124.136 -22.984 -1.810 1.00 0.00 C ATOM 10532 N4 C B 490 124.504 -23.763 -0.808 1.00 0.00 N ATOM 10533 C5 C B 490 122.767 -22.957 -2.234 1.00 0.00 C ATOM 10534 C6 C B 490 122.463 -22.131 -3.271 1.00 0.00 C ATOM 10535 P G B 491 122.872 -23.005 -9.687 1.00 0.00 P ATOM 10536 O1P G B 491 122.299 -22.774 -11.029 1.00 0.00 O ATOM 10537 O2P G B 491 122.229 -24.065 -8.879 1.00 0.00 O ATOM 10538 O5* G B 491 124.684 -23.159 -9.773 1.00 0.00 O ATOM 10539 C5* G B 491 126.007 -23.119 -9.198 1.00 0.00 C ATOM 10540 C4* G B 491 126.139 -24.156 -7.939 1.00 0.00 C ATOM 10541 O4* G B 491 124.941 -24.176 -7.112 1.00 0.00 O ATOM 10542 C3* G B 491 126.445 -25.636 -8.173 1.00 0.00 C ATOM 10543 O3* G B 491 127.354 -26.338 -9.182 1.00 0.00 O ATOM 10544 C2* G B 491 126.042 -26.262 -6.844 1.00 0.00 C ATOM 10545 O2* G B 491 127.023 -26.014 -5.853 1.00 0.00 O ATOM 10546 C1* G B 491 124.814 -25.434 -6.471 1.00 0.00 C ATOM 10547 N9 G B 491 123.313 -26.130 -6.938 1.00 0.00 N ATOM 10548 C8 G B 491 122.034 -25.736 -6.616 1.00 0.00 C ATOM 10549 N7 G B 491 121.097 -26.514 -7.110 1.00 0.00 N ATOM 10550 C5 G B 491 121.808 -27.491 -7.806 1.00 0.00 C ATOM 10551 C6 G B 491 121.340 -28.606 -8.549 1.00 0.00 C ATOM 10552 O6 G B 491 120.184 -28.966 -8.747 1.00 0.00 O ATOM 10553 N1 G B 491 122.404 -29.334 -9.092 1.00 0.00 N ATOM 10554 C2 G B 491 123.742 -29.031 -8.942 1.00 0.00 C ATOM 10555 N2 G B 491 124.604 -29.855 -9.544 1.00 0.00 N ATOM 10556 N3 G B 491 124.183 -27.986 -8.246 1.00 0.00 N ATOM 10557 C4 G B 491 123.162 -27.262 -7.707 1.00 0.00 C ATOM 10558 P A B 492 126.620 -26.678 -10.841 1.00 0.00 P ATOM 10559 O1P A B 492 126.651 -25.385 -11.561 1.00 0.00 O ATOM 10560 O2P A B 492 125.328 -27.400 -10.864 1.00 0.00 O ATOM 10561 O5* A B 492 127.962 -27.779 -11.412 1.00 0.00 O ATOM 10562 C5* A B 492 128.508 -28.874 -12.165 1.00 0.00 C ATOM 10563 C4* A B 492 129.584 -29.710 -11.290 1.00 0.00 C ATOM 10564 O4* A B 492 129.257 -29.931 -9.890 1.00 0.00 O ATOM 10565 C3* A B 492 130.246 -31.015 -11.728 1.00 0.00 C ATOM 10566 O3* A B 492 131.134 -30.952 -13.008 1.00 0.00 O ATOM 10567 C2* A B 492 131.016 -31.420 -10.472 1.00 0.00 C ATOM 10568 O2* A B 492 132.193 -30.635 -10.330 1.00 0.00 O ATOM 10569 C1* A B 492 130.058 -30.977 -9.367 1.00 0.00 C ATOM 10570 N9 A B 492 129.036 -32.192 -8.793 1.00 0.00 N ATOM 10571 C8 A B 492 129.057 -33.535 -9.086 1.00 0.00 C ATOM 10572 N7 A B 492 128.026 -34.190 -8.644 1.00 0.00 N ATOM 10573 C5 A B 492 127.263 -33.224 -8.006 1.00 0.00 C ATOM 10574 C6 A B 492 126.038 -33.282 -7.320 1.00 0.00 C ATOM 10575 N6 A B 492 125.337 -34.412 -7.161 1.00 0.00 N ATOM 10576 N1 A B 492 125.560 -32.133 -6.806 1.00 0.00 N ATOM 10577 C2 A B 492 126.264 -31.015 -6.967 1.00 0.00 C ATOM 10578 N3 A B 492 127.414 -30.839 -7.579 1.00 0.00 N ATOM 10579 C4 A B 492 127.869 -32.004 -8.088 1.00 0.00 C ATOM 10580 P G B 493 130.293 -31.091 -14.621 1.00 0.00 P ATOM 10581 O1P G B 493 131.139 -31.340 -15.809 1.00 0.00 O ATOM 10582 O2P G B 493 129.298 -30.006 -14.758 1.00 0.00 O ATOM 10583 O5* G B 493 129.564 -32.445 -14.178 1.00 0.00 O ATOM 10584 C5* G B 493 130.363 -33.610 -13.903 1.00 0.00 C ATOM 10585 C4* G B 493 129.483 -34.730 -13.386 1.00 0.00 C ATOM 10586 O4* G B 493 128.976 -34.362 -12.071 1.00 0.00 O ATOM 10587 C3* G B 493 128.223 -35.021 -14.202 1.00 0.00 C ATOM 10588 O3* G B 493 128.492 -35.865 -15.275 1.00 0.00 O ATOM 10589 C2* G B 493 127.307 -35.662 -13.160 1.00 0.00 C ATOM 10590 O2* G B 493 127.693 -37.001 -12.910 1.00 0.00 O ATOM 10591 C1* G B 493 127.654 -34.858 -11.912 1.00 0.00 C ATOM 10592 N9 G B 493 126.751 -33.697 -11.677 1.00 0.00 N ATOM 10593 C8 G B 493 126.999 -32.352 -11.858 1.00 0.00 C ATOM 10594 N7 G B 493 125.983 -31.577 -11.554 1.00 0.00 N ATOM 10595 C5 G B 493 124.993 -32.474 -11.150 1.00 0.00 C ATOM 10596 C6 G B 493 123.669 -32.231 -10.704 1.00 0.00 C ATOM 10597 O6 G B 493 123.085 -31.158 -10.574 1.00 0.00 O ATOM 10598 N1 G B 493 123.007 -33.426 -10.392 1.00 0.00 N ATOM 10599 C2 G B 493 123.554 -34.691 -10.494 1.00 0.00 C ATOM 10600 N2 G B 493 122.759 -35.703 -10.148 1.00 0.00 N ATOM 10601 N3 G B 493 124.799 -34.916 -10.914 1.00 0.00 N ATOM 10602 C4 G B 493 125.453 -33.766 -11.219 1.00 0.00 C ATOM 10603 P G B 494 127.649 -35.669 -16.661 1.00 0.00 P ATOM 10604 O1P G B 494 128.311 -36.386 -17.771 1.00 0.00 O ATOM 10605 O2P G B 494 127.400 -34.226 -16.884 1.00 0.00 O ATOM 10606 O5* G B 494 126.278 -36.403 -16.283 1.00 0.00 O ATOM 10607 C5* G B 494 126.305 -37.801 -15.938 1.00 0.00 C ATOM 10608 C4* G B 494 124.928 -38.252 -15.499 1.00 0.00 C ATOM 10609 O4* G B 494 124.602 -37.608 -14.234 1.00 0.00 O ATOM 10610 C3* G B 494 123.771 -37.864 -16.420 1.00 0.00 C ATOM 10611 O3* G B 494 123.622 -38.771 -17.466 1.00 0.00 O ATOM 10612 C2* G B 494 122.584 -37.867 -15.462 1.00 0.00 C ATOM 10613 O2* G B 494 122.171 -39.195 -15.176 1.00 0.00 O ATOM 10614 C1* G B 494 123.214 -37.317 -14.189 1.00 0.00 C ATOM 10615 N9 G B 494 123.059 -35.843 -14.035 1.00 0.00 N ATOM 10616 C8 G B 494 123.998 -34.847 -14.191 1.00 0.00 C ATOM 10617 N7 G B 494 123.534 -33.638 -13.980 1.00 0.00 N ATOM 10618 C5 G B 494 122.195 -33.847 -13.661 1.00 0.00 C ATOM 10619 C6 G B 494 121.178 -32.915 -13.335 1.00 0.00 C ATOM 10620 O6 G B 494 121.250 -31.691 -13.257 1.00 0.00 O ATOM 10621 N1 G B 494 119.958 -33.557 -13.079 1.00 0.00 N ATOM 10622 C2 G B 494 119.748 -34.920 -13.132 1.00 0.00 C ATOM 10623 N2 G B 494 118.511 -35.335 -12.857 1.00 0.00 N ATOM 10624 N3 G B 494 120.703 -35.795 -13.441 1.00 0.00 N ATOM 10625 C4 G B 494 121.895 -35.189 -13.691 1.00 0.00 C ATOM 10626 P G B 495 123.120 -38.220 -18.919 1.00 0.00 P ATOM 10627 O1P G B 495 123.374 -39.234 -19.965 1.00 0.00 O ATOM 10628 O2P G B 495 123.698 -36.879 -19.164 1.00 0.00 O ATOM 10629 O5* G B 495 121.545 -38.092 -18.660 1.00 0.00 O ATOM 10630 C5* G B 495 120.797 -39.271 -18.314 1.00 0.00 C ATOM 10631 C4* G B 495 119.362 -38.900 -17.992 1.00 0.00 C ATOM 10632 O4* G B 495 119.338 -38.121 -16.764 1.00 0.00 O ATOM 10633 C3* G B 495 118.666 -37.997 -19.013 1.00 0.00 C ATOM 10634 O3* G B 495 118.132 -38.735 -20.067 1.00 0.00 O ATOM 10635 C2* G B 495 117.593 -37.323 -18.164 1.00 0.00 C ATOM 10636 O2* G B 495 116.517 -38.209 -17.913 1.00 0.00 O ATOM 10637 C1* G B 495 118.324 -37.131 -16.840 1.00 0.00 C ATOM 10638 N9 G B 495 118.974 -35.798 -16.701 1.00 0.00 N ATOM 10639 C8 G B 495 120.308 -35.466 -16.776 1.00 0.00 C ATOM 10640 N7 G B 495 120.550 -34.187 -16.608 1.00 0.00 N ATOM 10641 C5 G B 495 119.285 -33.633 -16.408 1.00 0.00 C ATOM 10642 C6 G B 495 118.904 -32.288 -16.170 1.00 0.00 C ATOM 10643 O6 G B 495 119.617 -31.289 -16.088 1.00 0.00 O ATOM 10644 N1 G B 495 117.517 -32.168 -16.019 1.00 0.00 N ATOM 10645 C2 G B 495 116.616 -33.211 -16.092 1.00 0.00 C ATOM 10646 N2 G B 495 115.330 -32.890 -15.923 1.00 0.00 N ATOM 10647 N3 G B 495 116.973 -34.473 -16.314 1.00 0.00 N ATOM 10648 C4 G B 495 118.319 -34.609 -16.461 1.00 0.00 C ATOM 10649 P G B 496 118.109 -38.070 -21.560 1.00 0.00 P ATOM 10650 O1P G B 496 117.856 -39.110 -22.581 1.00 0.00 O ATOM 10651 O2P G B 496 119.329 -37.255 -21.754 1.00 0.00 O ATOM 10652 O5* G B 496 116.834 -37.111 -21.440 1.00 0.00 O ATOM 10653 C5* G B 496 115.546 -37.690 -21.157 1.00 0.00 C ATOM 10654 C4* G B 496 114.516 -36.594 -20.962 1.00 0.00 C ATOM 10655 O4* G B 496 114.824 -35.867 -19.740 1.00 0.00 O ATOM 10656 C3* G B 496 114.485 -35.510 -22.041 1.00 0.00 C ATOM 10657 O3* G B 496 113.716 -35.898 -23.136 1.00 0.00 O ATOM 10658 C2* G B 496 113.881 -34.327 -21.288 1.00 0.00 C ATOM 10659 O2* G B 496 112.480 -34.492 -21.131 1.00 0.00 O ATOM 10660 C1* G B 496 114.504 -34.495 -19.904 1.00 0.00 C ATOM 10661 N9 G B 496 115.752 -33.707 -19.712 1.00 0.00 N ATOM 10662 C8 G B 496 117.060 -34.142 -19.668 1.00 0.00 C ATOM 10663 N7 G B 496 117.936 -33.183 -19.484 1.00 0.00 N ATOM 10664 C5 G B 496 117.153 -32.033 -19.393 1.00 0.00 C ATOM 10665 C6 G B 496 117.536 -30.679 -19.190 1.00 0.00 C ATOM 10666 O6 G B 496 118.662 -30.212 -19.048 1.00 0.00 O ATOM 10667 N1 G B 496 116.422 -29.834 -19.165 1.00 0.00 N ATOM 10668 C2 G B 496 115.109 -30.236 -19.313 1.00 0.00 C ATOM 10669 N2 G B 496 114.188 -29.273 -19.257 1.00 0.00 N ATOM 10670 N3 G B 496 114.749 -31.503 -19.502 1.00 0.00 N ATOM 10671 C4 G B 496 115.820 -32.343 -19.532 1.00 0.00 C ATOM 10672 P A B 497 111.889 -36.389 -23.270 1.00 0.00 P ATOM 10673 O1P A B 497 111.703 -36.927 -24.634 1.00 0.00 O ATOM 10674 O2P A B 497 111.053 -35.216 -22.925 1.00 0.00 O ATOM 10675 O5* A B 497 111.518 -37.790 -22.084 1.00 0.00 O ATOM 10676 C5* A B 497 110.687 -38.860 -21.412 1.00 0.00 C ATOM 10677 C4* A B 497 109.909 -40.097 -22.245 1.00 0.00 C ATOM 10678 O4* A B 497 108.726 -39.794 -23.036 1.00 0.00 O ATOM 10679 C3* A B 497 109.961 -41.626 -22.231 1.00 0.00 C ATOM 10680 O3* A B 497 110.887 -42.628 -21.361 1.00 0.00 O ATOM 10681 C2* A B 497 108.481 -41.991 -22.170 1.00 0.00 C ATOM 10682 O2* A B 497 107.967 -41.794 -20.867 1.00 0.00 O ATOM 10683 C1* A B 497 107.859 -40.919 -23.057 1.00 0.00 C ATOM 10684 N9 A B 497 107.622 -41.390 -24.691 1.00 0.00 N ATOM 10685 C8 A B 497 106.896 -42.450 -25.176 1.00 0.00 C ATOM 10686 N7 A B 497 106.778 -42.457 -26.469 1.00 0.00 N ATOM 10687 C5 A B 497 107.465 -41.323 -26.877 1.00 0.00 C ATOM 10688 C6 A B 497 107.703 -40.767 -28.144 1.00 0.00 C ATOM 10689 N6 A B 497 107.252 -41.304 -29.288 1.00 0.00 N ATOM 10690 N1 A B 497 108.426 -39.635 -28.194 1.00 0.00 N ATOM 10691 C2 A B 497 108.872 -39.105 -27.057 1.00 0.00 C ATOM 10692 N3 A B 497 108.714 -39.534 -25.819 1.00 0.00 N ATOM 10693 C4 A B 497 107.982 -40.668 -25.799 1.00 0.00 C ATOM 10694 P G B 498 112.725 -42.579 -20.887 1.00 0.00 P ATOM 10695 O1P G B 498 112.704 -41.979 -19.530 1.00 0.00 O ATOM 10696 O2P G B 498 113.551 -41.867 -21.890 1.00 0.00 O ATOM 10697 O5* G B 498 113.535 -44.314 -20.817 1.00 0.00 O ATOM 10698 C5* G B 498 114.329 -45.631 -20.513 1.00 0.00 C ATOM 10699 C4* G B 498 115.790 -45.958 -19.542 1.00 0.00 C ATOM 10700 O4* G B 498 116.772 -46.404 -20.522 1.00 0.00 O ATOM 10701 C3* G B 498 116.192 -46.686 -18.256 1.00 0.00 C ATOM 10702 O3* G B 498 116.889 -46.145 -16.650 1.00 0.00 O ATOM 10703 C2* G B 498 116.670 -48.035 -18.792 1.00 0.00 C ATOM 10704 O2* G B 498 115.567 -48.854 -19.152 1.00 0.00 O ATOM 10705 C1* G B 498 117.359 -47.625 -20.089 1.00 0.00 C ATOM 10706 N9 G B 498 119.014 -47.397 -19.958 1.00 0.00 N ATOM 10707 C8 G B 498 119.722 -46.218 -19.848 1.00 0.00 C ATOM 10708 N7 G B 498 120.998 -46.383 -19.592 1.00 0.00 N ATOM 10709 C5 G B 498 121.146 -47.770 -19.530 1.00 0.00 C ATOM 10710 C6 G B 498 122.304 -48.555 -19.287 1.00 0.00 C ATOM 10711 O6 G B 498 123.453 -48.187 -19.073 1.00 0.00 O ATOM 10712 N1 G B 498 122.005 -49.926 -19.311 1.00 0.00 N ATOM 10713 C2 G B 498 120.754 -50.463 -19.543 1.00 0.00 C ATOM 10714 N2 G B 498 120.677 -51.798 -19.528 1.00 0.00 N ATOM 10715 N3 G B 498 119.668 -49.727 -19.775 1.00 0.00 N ATOM 10716 C4 G B 498 119.941 -48.394 -19.750 1.00 0.00 C ATOM 10717 P U B 499 118.540 -45.695 -15.551 1.00 0.00 P ATOM 10718 O1P U B 499 119.400 -44.624 -16.101 1.00 0.00 O ATOM 10719 O2P U B 499 119.208 -46.985 -15.278 1.00 0.00 O ATOM 10720 O5* U B 499 118.271 -45.008 -13.759 1.00 0.00 O ATOM 10721 C5* U B 499 119.096 -45.298 -12.516 1.00 0.00 C ATOM 10722 C4* U B 499 119.618 -44.280 -11.294 1.00 0.00 C ATOM 10723 O4* U B 499 120.592 -43.231 -11.580 1.00 0.00 O ATOM 10724 C3* U B 499 118.689 -43.646 -10.260 1.00 0.00 C ATOM 10725 O3* U B 499 117.786 -44.596 -9.443 1.00 0.00 O ATOM 10726 C2* U B 499 119.653 -42.796 -9.442 1.00 0.00 C ATOM 10727 O2* U B 499 120.411 -43.606 -8.555 1.00 0.00 O ATOM 10728 C1* U B 499 120.610 -42.293 -10.517 1.00 0.00 C ATOM 10729 N1 U B 499 120.229 -40.772 -11.143 1.00 0.00 N ATOM 10730 C2 U B 499 118.997 -40.262 -10.825 1.00 0.00 C ATOM 10731 O2 U B 499 118.236 -40.789 -10.029 1.00 0.00 O ATOM 10732 N3 U B 499 118.650 -39.092 -11.474 1.00 0.00 N ATOM 10733 C4 U B 499 119.422 -38.408 -12.393 1.00 0.00 C ATOM 10734 O4 U B 499 119.012 -37.370 -12.913 1.00 0.00 O ATOM 10735 C5 U B 499 120.700 -39.026 -12.662 1.00 0.00 C ATOM 10736 C6 U B 499 121.056 -40.162 -12.046 1.00 0.00 C ATOM 10737 P G B 500 117.737 -44.566 -7.603 1.00 0.00 P ATOM 10738 O1P G B 500 118.918 -43.994 -6.915 1.00 0.00 O ATOM 10739 O2P G B 500 117.305 -45.902 -7.134 1.00 0.00 O ATOM 10740 O5* G B 500 116.361 -43.377 -7.613 1.00 0.00 O ATOM 10741 C5* G B 500 115.257 -43.888 -8.376 1.00 0.00 C ATOM 10742 C4* G B 500 114.983 -43.060 -9.768 1.00 0.00 C ATOM 10743 O4* G B 500 116.043 -42.286 -10.399 1.00 0.00 O ATOM 10744 C3* G B 500 113.728 -42.217 -9.998 1.00 0.00 C ATOM 10745 O3* G B 500 112.587 -42.833 -9.056 1.00 0.00 O ATOM 10746 C2* G B 500 114.268 -40.797 -9.871 1.00 0.00 C ATOM 10747 O2* G B 500 114.487 -40.460 -8.512 1.00 0.00 O ATOM 10748 C1* G B 500 115.641 -40.933 -10.522 1.00 0.00 C ATOM 10749 N9 G B 500 115.693 -40.490 -12.236 1.00 0.00 N ATOM 10750 C8 G B 500 114.735 -39.865 -13.000 1.00 0.00 C ATOM 10751 N7 G B 500 115.073 -39.711 -14.255 1.00 0.00 N ATOM 10752 C5 G B 500 116.352 -40.271 -14.327 1.00 0.00 C ATOM 10753 C6 G B 500 117.235 -40.393 -15.432 1.00 0.00 C ATOM 10754 O6 G B 500 117.069 -40.034 -16.593 1.00 0.00 O ATOM 10755 N1 G B 500 118.429 -41.026 -15.060 1.00 0.00 N ATOM 10756 C2 G B 500 118.732 -41.475 -13.791 1.00 0.00 C ATOM 10757 N2 G B 500 119.923 -42.054 -13.640 1.00 0.00 N ATOM 10758 N3 G B 500 117.902 -41.358 -12.756 1.00 0.00 N ATOM 10759 C4 G B 500 116.735 -40.751 -13.097 1.00 0.00 C ATOM 10760 P A B 501 110.814 -42.394 -8.686 1.00 0.00 P ATOM 10761 O1P A B 501 110.717 -40.950 -8.371 1.00 0.00 O ATOM 10762 O2P A B 501 110.201 -43.308 -7.699 1.00 0.00 O ATOM 10763 O5* A B 501 110.008 -42.620 -10.320 1.00 0.00 O ATOM 10764 C5* A B 501 109.313 -41.419 -10.697 1.00 0.00 C ATOM 10765 C4* A B 501 110.453 -40.341 -11.054 1.00 0.00 C ATOM 10766 O4* A B 501 110.293 -39.832 -12.409 1.00 0.00 O ATOM 10767 C3* A B 501 111.022 -39.154 -10.281 1.00 0.00 C ATOM 10768 O3* A B 501 110.927 -38.844 -8.678 1.00 0.00 O ATOM 10769 C2* A B 501 111.930 -38.499 -11.320 1.00 0.00 C ATOM 10770 O2* A B 501 113.132 -39.236 -11.471 1.00 0.00 O ATOM 10771 C1* A B 501 111.124 -38.698 -12.602 1.00 0.00 C ATOM 10772 N9 A B 501 110.150 -37.394 -13.028 1.00 0.00 N ATOM 10773 C8 A B 501 108.777 -37.339 -13.091 1.00 0.00 C ATOM 10774 N7 A B 501 108.318 -36.260 -13.651 1.00 0.00 N ATOM 10775 C5 A B 501 109.457 -35.544 -13.989 1.00 0.00 C ATOM 10776 C6 A B 501 109.646 -34.304 -14.613 1.00 0.00 C ATOM 10777 N6 A B 501 108.634 -33.525 -15.035 1.00 0.00 N ATOM 10778 N1 A B 501 110.908 -33.887 -14.797 1.00 0.00 N ATOM 10779 C2 A B 501 111.910 -34.662 -14.378 1.00 0.00 C ATOM 10780 N3 A B 501 111.857 -35.836 -13.781 1.00 0.00 N ATOM 10781 C4 A B 501 110.574 -36.226 -13.611 1.00 0.00 C ATOM 10782 P A B 502 111.811 -39.124 -6.975 1.00 0.00 P ATOM 10783 O1P A B 502 110.784 -38.727 -5.986 1.00 0.00 O ATOM 10784 O2P A B 502 113.093 -38.388 -6.907 1.00 0.00 O ATOM 10785 O5* A B 502 112.246 -40.921 -6.566 1.00 0.00 O ATOM 10786 C5* A B 502 113.026 -41.760 -5.609 1.00 0.00 C ATOM 10787 C4* A B 502 112.513 -43.237 -5.027 1.00 0.00 C ATOM 10788 O4* A B 502 111.173 -43.646 -5.432 1.00 0.00 O ATOM 10789 C3* A B 502 113.343 -44.514 -5.155 1.00 0.00 C ATOM 10790 O3* A B 502 114.328 -44.889 -6.338 1.00 0.00 O ATOM 10791 C2* A B 502 112.348 -45.589 -4.723 1.00 0.00 C ATOM 10792 O2* A B 502 112.193 -45.588 -3.313 1.00 0.00 O ATOM 10793 C1* A B 502 111.045 -45.055 -5.306 1.00 0.00 C ATOM 10794 N9 A B 502 110.641 -45.688 -6.818 1.00 0.00 N ATOM 10795 C8 A B 502 111.134 -45.333 -8.052 1.00 0.00 C ATOM 10796 N7 A B 502 110.718 -46.089 -9.022 1.00 0.00 N ATOM 10797 C5 A B 502 109.896 -47.012 -8.395 1.00 0.00 C ATOM 10798 C6 A B 502 109.142 -48.094 -8.878 1.00 0.00 C ATOM 10799 N6 A B 502 109.101 -48.444 -10.174 1.00 0.00 N ATOM 10800 N1 A B 502 108.432 -48.808 -7.990 1.00 0.00 N ATOM 10801 C2 A B 502 108.481 -48.453 -6.703 1.00 0.00 C ATOM 10802 N3 A B 502 109.141 -47.471 -6.134 1.00 0.00 N ATOM 10803 C4 A B 502 109.846 -46.773 -7.051 1.00 0.00 C ATOM 10804 P A B 503 114.083 -46.484 -7.250 1.00 0.00 P ATOM 10805 O1P A B 503 112.879 -47.243 -6.839 1.00 0.00 O ATOM 10806 O2P A B 503 115.349 -47.242 -7.257 1.00 0.00 O ATOM 10807 O5* A B 503 113.735 -45.684 -8.864 1.00 0.00 O ATOM 10808 C5* A B 503 113.963 -45.723 -10.290 1.00 0.00 C ATOM 10809 C4* A B 503 112.715 -45.410 -11.306 1.00 0.00 C ATOM 10810 O4* A B 503 111.557 -44.675 -10.817 1.00 0.00 O ATOM 10811 C3* A B 503 112.967 -44.821 -12.693 1.00 0.00 C ATOM 10812 O3* A B 503 113.727 -43.475 -13.021 1.00 0.00 O ATOM 10813 C2* A B 503 111.547 -44.553 -13.189 1.00 0.00 C ATOM 10814 O2* A B 503 110.921 -45.759 -13.599 1.00 0.00 O ATOM 10815 C1* A B 503 110.854 -44.104 -11.911 1.00 0.00 C ATOM 10816 N9 A B 503 109.317 -44.533 -11.801 1.00 0.00 N ATOM 10817 C8 A B 503 108.636 -45.002 -10.696 1.00 0.00 C ATOM 10818 N7 A B 503 107.347 -45.070 -10.861 1.00 0.00 N ATOM 10819 C5 A B 503 107.156 -44.619 -12.160 1.00 0.00 C ATOM 10820 C6 A B 503 105.998 -44.456 -12.941 1.00 0.00 C ATOM 10821 N6 A B 503 104.765 -44.737 -12.504 1.00 0.00 N ATOM 10822 N1 A B 503 106.159 -43.988 -14.196 1.00 0.00 N ATOM 10823 C2 A B 503 107.387 -43.711 -14.624 1.00 0.00 C ATOM 10824 N3 A B 503 108.532 -43.825 -13.992 1.00 0.00 N ATOM 10825 C4 A B 503 108.345 -44.295 -12.737 1.00 0.00 C ATOM 10826 P A B 504 115.266 -43.466 -13.891 1.00 0.00 P ATOM 10827 O1P A B 504 115.738 -44.401 -14.933 1.00 0.00 O ATOM 10828 O2P A B 504 116.179 -43.260 -12.742 1.00 0.00 O ATOM 10829 O5* A B 504 114.529 -42.133 -14.946 1.00 0.00 O ATOM 10830 C5* A B 504 114.625 -41.275 -16.162 1.00 0.00 C ATOM 10831 C4* A B 504 113.733 -39.909 -16.476 1.00 0.00 C ATOM 10832 O4* A B 504 112.489 -40.296 -17.132 1.00 0.00 O ATOM 10833 C3* A B 504 113.346 -38.681 -15.651 1.00 0.00 C ATOM 10834 O3* A B 504 113.622 -38.123 -14.239 1.00 0.00 O ATOM 10835 C2* A B 504 112.327 -37.995 -16.557 1.00 0.00 C ATOM 10836 O2* A B 504 112.970 -37.324 -17.623 1.00 0.00 O ATOM 10837 C1* A B 504 111.599 -39.193 -17.162 1.00 0.00 C ATOM 10838 N9 A B 504 110.192 -39.630 -16.365 1.00 0.00 N ATOM 10839 C8 A B 504 109.994 -40.675 -15.496 1.00 0.00 C ATOM 10840 N7 A B 504 108.748 -40.856 -15.164 1.00 0.00 N ATOM 10841 C5 A B 504 108.073 -39.862 -15.858 1.00 0.00 C ATOM 10842 C6 A B 504 106.712 -39.511 -15.930 1.00 0.00 C ATOM 10843 N6 A B 504 105.751 -40.159 -15.260 1.00 0.00 N ATOM 10844 N1 A B 504 106.380 -38.473 -16.713 1.00 0.00 N ATOM 10845 C2 A B 504 107.346 -37.832 -17.379 1.00 0.00 C ATOM 10846 N3 A B 504 108.639 -38.069 -17.384 1.00 0.00 N ATOM 10847 C4 A B 504 108.945 -39.113 -16.589 1.00 0.00 C ATOM 10848 P A B 505 114.755 -36.697 -14.018 1.00 0.00 P ATOM 10849 O1P A B 505 114.685 -35.819 -15.209 1.00 0.00 O ATOM 10850 O2P A B 505 116.119 -37.032 -13.543 1.00 0.00 O ATOM 10851 O5* A B 505 113.829 -36.126 -12.555 1.00 0.00 O ATOM 10852 C5* A B 505 113.999 -35.396 -11.336 1.00 0.00 C ATOM 10853 C4* A B 505 114.776 -36.190 -10.126 1.00 0.00 C ATOM 10854 O4* A B 505 115.777 -37.215 -10.367 1.00 0.00 O ATOM 10855 C3* A B 505 114.263 -36.498 -8.718 1.00 0.00 C ATOM 10856 O3* A B 505 112.999 -35.850 -8.045 1.00 0.00 O ATOM 10857 C2* A B 505 114.295 -38.025 -8.694 1.00 0.00 C ATOM 10858 O2* A B 505 113.202 -38.559 -9.428 1.00 0.00 O ATOM 10859 C1* A B 505 115.557 -38.317 -9.500 1.00 0.00 C ATOM 10860 N9 A B 505 116.957 -38.551 -8.564 1.00 0.00 N ATOM 10861 C8 A B 505 117.116 -39.343 -7.449 1.00 0.00 C ATOM 10862 N7 A B 505 118.352 -39.471 -7.065 1.00 0.00 N ATOM 10863 C5 A B 505 119.066 -38.713 -7.977 1.00 0.00 C ATOM 10864 C6 A B 505 120.438 -38.440 -8.112 1.00 0.00 C ATOM 10865 N6 A B 505 121.375 -38.925 -7.288 1.00 0.00 N ATOM 10866 N1 A B 505 120.811 -37.649 -9.138 1.00 0.00 N ATOM 10867 C2 A B 505 119.878 -37.169 -9.954 1.00 0.00 C ATOM 10868 N3 A B 505 118.575 -37.350 -9.926 1.00 0.00 N ATOM 10869 C4 A B 505 118.226 -38.146 -8.894 1.00 0.00 C ATOM 10870 P G B 506 111.327 -35.604 -8.822 1.00 0.00 P ATOM 10871 O1P G B 506 111.203 -36.354 -10.092 1.00 0.00 O ATOM 10872 O2P G B 506 111.025 -34.153 -8.898 1.00 0.00 O ATOM 10873 O5* G B 506 110.235 -36.355 -7.532 1.00 0.00 O ATOM 10874 C5* G B 506 109.184 -36.781 -6.608 1.00 0.00 C ATOM 10875 C4* G B 506 107.631 -36.924 -7.117 1.00 0.00 C ATOM 10876 O4* G B 506 107.146 -38.192 -7.645 1.00 0.00 O ATOM 10877 C3* G B 506 106.447 -36.375 -6.322 1.00 0.00 C ATOM 10878 O3* G B 506 106.500 -34.834 -6.226 1.00 0.00 O ATOM 10879 C2* G B 506 105.258 -36.820 -7.176 1.00 0.00 C ATOM 10880 O2* G B 506 105.131 -36.003 -8.326 1.00 0.00 O ATOM 10881 C1* G B 506 105.726 -38.194 -7.653 1.00 0.00 C ATOM 10882 N9 G B 506 105.177 -39.522 -6.681 1.00 0.00 N ATOM 10883 C8 G B 506 105.908 -40.547 -6.118 1.00 0.00 C ATOM 10884 N7 G B 506 105.173 -41.462 -5.522 1.00 0.00 N ATOM 10885 C5 G B 506 103.868 -41.003 -5.703 1.00 0.00 C ATOM 10886 C6 G B 506 102.637 -41.566 -5.282 1.00 0.00 C ATOM 10887 O6 G B 506 102.442 -42.600 -4.650 1.00 0.00 O ATOM 10888 N1 G B 506 101.551 -40.778 -5.678 1.00 0.00 N ATOM 10889 C2 G B 506 101.640 -39.595 -6.386 1.00 0.00 C ATOM 10890 N2 G B 506 100.482 -38.990 -6.670 1.00 0.00 N ATOM 10891 N3 G B 506 102.796 -39.071 -6.784 1.00 0.00 N ATOM 10892 C4 G B 506 103.863 -39.821 -6.410 1.00 0.00 C ATOM 10893 P A B 507 106.300 -33.971 -4.634 1.00 0.00 P ATOM 10894 O1P A B 507 107.183 -32.783 -4.660 1.00 0.00 O ATOM 10895 O2P A B 507 106.406 -34.821 -3.425 1.00 0.00 O ATOM 10896 O5* A B 507 104.574 -33.527 -5.009 1.00 0.00 O ATOM 10897 C5* A B 507 103.397 -32.927 -5.576 1.00 0.00 C ATOM 10898 C4* A B 507 102.649 -31.835 -4.636 1.00 0.00 C ATOM 10899 O4* A B 507 101.268 -31.472 -4.915 1.00 0.00 O ATOM 10900 C3* A B 507 102.762 -31.720 -3.114 1.00 0.00 C ATOM 10901 O3* A B 507 104.002 -32.118 -2.262 1.00 0.00 O ATOM 10902 C2* A B 507 101.858 -30.522 -2.822 1.00 0.00 C ATOM 10903 O2* A B 507 102.512 -29.307 -3.156 1.00 0.00 O ATOM 10904 C1* A B 507 100.739 -30.723 -3.833 1.00 0.00 C ATOM 10905 N9 A B 507 99.364 -31.553 -3.223 1.00 0.00 N ATOM 10906 C8 A B 507 99.326 -32.575 -2.302 1.00 0.00 C ATOM 10907 N7 A B 507 98.137 -32.840 -1.855 1.00 0.00 N ATOM 10908 C5 A B 507 97.319 -31.934 -2.518 1.00 0.00 C ATOM 10909 C6 A B 507 95.938 -31.695 -2.477 1.00 0.00 C ATOM 10910 N6 A B 507 95.094 -32.393 -1.707 1.00 0.00 N ATOM 10911 N1 A B 507 95.452 -30.719 -3.268 1.00 0.00 N ATOM 10912 C2 A B 507 96.299 -30.030 -4.032 1.00 0.00 C ATOM 10913 N3 A B 507 97.604 -30.158 -4.148 1.00 0.00 N ATOM 10914 C4 A B 507 98.059 -31.148 -3.350 1.00 0.00 C ATOM 10915 P A B 508 105.363 -30.861 -2.219 1.00 0.00 P ATOM 10916 O1P A B 508 104.755 -29.571 -1.838 1.00 0.00 O ATOM 10917 O2P A B 508 106.089 -30.877 -3.504 1.00 0.00 O ATOM 10918 O5* A B 508 106.554 -31.355 -0.890 1.00 0.00 O ATOM 10919 C5* A B 508 107.688 -30.490 -0.468 1.00 0.00 C ATOM 10920 C4* A B 508 107.612 -30.068 1.140 1.00 0.00 C ATOM 10921 O4* A B 508 106.363 -30.668 1.597 1.00 0.00 O ATOM 10922 C3* A B 508 108.654 -30.593 2.123 1.00 0.00 C ATOM 10923 O3* A B 508 110.063 -29.950 2.095 1.00 0.00 O ATOM 10924 C2* A B 508 107.871 -30.634 3.437 1.00 0.00 C ATOM 10925 O2* A B 508 107.728 -29.332 3.975 1.00 0.00 O ATOM 10926 C1* A B 508 106.489 -31.067 2.953 1.00 0.00 C ATOM 10927 N9 A B 508 106.201 -32.714 3.045 1.00 0.00 N ATOM 10928 C8 A B 508 106.613 -33.601 4.015 1.00 0.00 C ATOM 10929 N7 A B 508 106.406 -34.847 3.712 1.00 0.00 N ATOM 10930 C5 A B 508 105.820 -34.792 2.460 1.00 0.00 C ATOM 10931 C6 A B 508 105.359 -35.793 1.585 1.00 0.00 C ATOM 10932 N6 A B 508 105.425 -37.104 1.861 1.00 0.00 N ATOM 10933 N1 A B 508 104.830 -35.395 0.414 1.00 0.00 N ATOM 10934 C2 A B 508 104.770 -34.093 0.146 1.00 0.00 C ATOM 10935 N3 A B 508 105.165 -33.074 0.877 1.00 0.00 N ATOM 10936 C4 A B 508 105.691 -33.502 2.046 1.00 0.00 C ATOM 10937 P C B 509 110.928 -29.413 3.626 1.00 0.00 P ATOM 10938 O1P C B 509 111.047 -30.486 4.636 1.00 0.00 O ATOM 10939 O2P C B 509 110.411 -28.114 4.120 1.00 0.00 O ATOM 10940 O5* C B 509 112.491 -29.175 2.716 1.00 0.00 O ATOM 10941 C5* C B 509 113.843 -28.810 2.427 1.00 0.00 C ATOM 10942 C4* C B 509 114.852 -30.089 2.448 1.00 0.00 C ATOM 10943 O4* C B 509 114.458 -31.127 1.505 1.00 0.00 O ATOM 10944 C3* C B 509 116.370 -30.007 2.286 1.00 0.00 C ATOM 10945 O3* C B 509 117.301 -29.316 3.263 1.00 0.00 O ATOM 10946 C2* C B 509 116.745 -31.467 2.041 1.00 0.00 C ATOM 10947 O2* C B 509 116.715 -32.205 3.249 1.00 0.00 O ATOM 10948 C1* C B 509 115.571 -31.945 1.193 1.00 0.00 C ATOM 10949 N1 C B 509 115.832 -31.875 -0.471 1.00 0.00 N ATOM 10950 C2 C B 509 117.145 -31.929 -0.923 1.00 0.00 C ATOM 10951 O2 C B 509 118.058 -32.023 -0.098 1.00 0.00 O ATOM 10952 N3 C B 509 117.375 -31.875 -2.263 1.00 0.00 N ATOM 10953 C4 C B 509 116.358 -31.772 -3.128 1.00 0.00 C ATOM 10954 N4 C B 509 116.636 -31.725 -4.421 1.00 0.00 N ATOM 10955 C5 C B 509 114.996 -31.716 -2.680 1.00 0.00 C ATOM 10956 C6 C B 509 114.791 -31.769 -1.339 1.00 0.00 C ATOM 10957 P C B 510 116.814 -27.671 3.865 1.00 0.00 P ATOM 10958 O1P C B 510 117.412 -27.382 5.187 1.00 0.00 O ATOM 10959 O2P C B 510 115.354 -27.447 3.756 1.00 0.00 O ATOM 10960 O5* C B 510 117.765 -26.868 2.535 1.00 0.00 O ATOM 10961 C5* C B 510 118.667 -25.748 2.619 1.00 0.00 C ATOM 10962 C4* C B 510 119.925 -25.703 1.609 1.00 0.00 C ATOM 10963 O4* C B 510 121.081 -26.551 1.850 1.00 0.00 O ATOM 10964 C3* C B 510 119.871 -25.577 0.084 1.00 0.00 C ATOM 10965 O3* C B 510 118.893 -24.490 -0.490 1.00 0.00 O ATOM 10966 C2* C B 510 121.352 -25.548 -0.288 1.00 0.00 C ATOM 10967 O2* C B 510 121.913 -24.276 -0.003 1.00 0.00 O ATOM 10968 C1* C B 510 121.941 -26.528 0.725 1.00 0.00 C ATOM 10969 N1 C B 510 122.121 -28.147 0.143 1.00 0.00 N ATOM 10970 C2 C B 510 123.401 -28.700 0.132 1.00 0.00 C ATOM 10971 O2 C B 510 124.351 -27.996 0.498 1.00 0.00 O ATOM 10972 N3 C B 510 123.562 -29.977 -0.286 1.00 0.00 N ATOM 10973 C4 C B 510 122.504 -30.703 -0.678 1.00 0.00 C ATOM 10974 N4 C B 510 122.716 -31.949 -1.075 1.00 0.00 N ATOM 10975 C5 C B 510 121.181 -30.158 -0.673 1.00 0.00 C ATOM 10976 C6 C B 510 121.044 -28.879 -0.255 1.00 0.00 C ATOM 10977 P U B 511 119.326 -22.695 -0.703 1.00 0.00 P ATOM 10978 O1P U B 511 120.116 -22.442 -1.929 1.00 0.00 O ATOM 10979 O2P U B 511 119.914 -22.184 0.557 1.00 0.00 O ATOM 10980 O5* U B 511 117.661 -21.991 -1.077 1.00 0.00 O ATOM 10981 C5* U B 511 116.231 -21.923 -1.287 1.00 0.00 C ATOM 10982 C4* U B 511 115.693 -23.226 -0.510 1.00 0.00 C ATOM 10983 O4* U B 511 116.723 -23.682 0.420 1.00 0.00 O ATOM 10984 C3* U B 511 114.385 -23.474 0.239 1.00 0.00 C ATOM 10985 O3* U B 511 112.940 -22.711 0.047 1.00 0.00 O ATOM 10986 C2* U B 511 114.685 -24.766 0.998 1.00 0.00 C ATOM 10987 O2* U B 511 114.630 -25.881 0.120 1.00 0.00 O ATOM 10988 C1* U B 511 116.153 -24.569 1.368 1.00 0.00 C ATOM 10989 N1 U B 511 116.401 -23.961 2.851 1.00 0.00 N ATOM 10990 C2 U B 511 115.552 -24.383 3.844 1.00 0.00 C ATOM 10991 O2 U B 511 114.575 -25.078 3.627 1.00 0.00 O ATOM 10992 N3 U B 511 115.874 -23.957 5.116 1.00 0.00 N ATOM 10993 C4 U B 511 116.945 -23.173 5.470 1.00 0.00 C ATOM 10994 O4 U B 511 117.130 -22.858 6.649 1.00 0.00 O ATOM 10995 C5 U B 511 117.785 -22.781 4.362 1.00 0.00 C ATOM 10996 C6 U B 511 117.495 -23.181 3.111 1.00 0.00 C ATOM 10997 P G B 512 111.686 -21.752 -1.068 1.00 0.00 P ATOM 10998 O1P G B 512 110.453 -21.811 -0.263 1.00 0.00 O ATOM 10999 O2P G B 512 111.549 -22.116 -2.494 1.00 0.00 O ATOM 11000 O5* G B 512 112.405 -20.053 -1.098 1.00 0.00 O ATOM 11001 C5* G B 512 111.971 -19.134 -2.146 1.00 0.00 C ATOM 11002 C4* G B 512 110.334 -19.039 -2.454 1.00 0.00 C ATOM 11003 O4* G B 512 109.808 -18.875 -3.801 1.00 0.00 O ATOM 11004 C3* G B 512 109.322 -18.300 -1.573 1.00 0.00 C ATOM 11005 O3* G B 512 108.156 -19.077 -0.842 1.00 0.00 O ATOM 11006 C2* G B 512 108.929 -17.121 -2.461 1.00 0.00 C ATOM 11007 O2* G B 512 109.946 -16.134 -2.467 1.00 0.00 O ATOM 11008 C1* G B 512 108.926 -17.768 -3.844 1.00 0.00 C ATOM 11009 N9 G B 512 107.383 -18.325 -4.371 1.00 0.00 N ATOM 11010 C8 G B 512 106.890 -19.609 -4.410 1.00 0.00 C ATOM 11011 N7 G B 512 105.628 -19.685 -4.768 1.00 0.00 N ATOM 11012 C5 G B 512 105.266 -18.358 -4.983 1.00 0.00 C ATOM 11013 C6 G B 512 104.023 -17.802 -5.387 1.00 0.00 C ATOM 11014 O6 G B 512 102.970 -18.379 -5.647 1.00 0.00 O ATOM 11015 N1 G B 512 104.093 -16.408 -5.487 1.00 0.00 N ATOM 11016 C2 G B 512 105.213 -15.642 -5.226 1.00 0.00 C ATOM 11017 N2 G B 512 105.075 -14.326 -5.372 1.00 0.00 N ATOM 11018 N3 G B 512 106.377 -16.162 -4.841 1.00 0.00 N ATOM 11019 C4 G B 512 106.329 -17.520 -4.745 1.00 0.00 C ATOM 11020 P A B 513 107.430 -18.214 0.600 1.00 0.00 P ATOM 11021 O1P A B 513 108.362 -18.500 1.712 1.00 0.00 O ATOM 11022 O2P A B 513 106.005 -18.525 0.851 1.00 0.00 O ATOM 11023 O5* A B 513 107.622 -16.505 -0.053 1.00 0.00 O ATOM 11024 C5* A B 513 107.477 -15.579 -1.172 1.00 0.00 C ATOM 11025 C4* A B 513 107.880 -13.979 -1.108 1.00 0.00 C ATOM 11026 O4* A B 513 108.319 -13.332 -2.337 1.00 0.00 O ATOM 11027 C3* A B 513 106.962 -12.948 -0.455 1.00 0.00 C ATOM 11028 O3* A B 513 105.391 -13.126 -0.459 1.00 0.00 O ATOM 11029 C2* A B 513 107.646 -11.630 -0.814 1.00 0.00 C ATOM 11030 O2* A B 513 108.784 -11.421 -0.004 1.00 0.00 O ATOM 11031 C1* A B 513 108.150 -11.926 -2.224 1.00 0.00 C ATOM 11032 N9 A B 513 107.114 -11.410 -3.470 1.00 0.00 N ATOM 11033 C8 A B 513 105.933 -10.714 -3.365 1.00 0.00 C ATOM 11034 N7 A B 513 105.439 -10.341 -4.509 1.00 0.00 N ATOM 11035 C5 A B 513 106.349 -10.819 -5.438 1.00 0.00 C ATOM 11036 C6 A B 513 106.395 -10.754 -6.839 1.00 0.00 C ATOM 11037 N6 A B 513 105.459 -10.148 -7.580 1.00 0.00 N ATOM 11038 N1 A B 513 107.442 -11.338 -7.450 1.00 0.00 N ATOM 11039 C2 A B 513 108.371 -11.938 -6.708 1.00 0.00 C ATOM 11040 N3 A B 513 108.431 -12.062 -5.402 1.00 0.00 N ATOM 11041 C4 A B 513 107.372 -11.474 -4.813 1.00 0.00 C ATOM 11042 P A B 514 104.667 -14.036 -1.892 1.00 0.00 P ATOM 11043 O1P A B 514 103.800 -15.138 -1.416 1.00 0.00 O ATOM 11044 O2P A B 514 105.682 -14.400 -2.907 1.00 0.00 O ATOM 11045 O5* A B 514 103.782 -12.573 -2.532 1.00 0.00 O ATOM 11046 C5* A B 514 103.622 -11.168 -2.373 1.00 0.00 C ATOM 11047 C4* A B 514 102.175 -10.537 -2.759 1.00 0.00 C ATOM 11048 O4* A B 514 102.199 -9.088 -2.927 1.00 0.00 O ATOM 11049 C3* A B 514 101.322 -11.025 -3.932 1.00 0.00 C ATOM 11050 O3* A B 514 100.840 -12.520 -4.176 1.00 0.00 O ATOM 11051 C2* A B 514 100.277 -9.916 -4.051 1.00 0.00 C ATOM 11052 O2* A B 514 99.300 -10.031 -3.031 1.00 0.00 O ATOM 11053 C1* A B 514 101.106 -8.678 -3.731 1.00 0.00 C ATOM 11054 N9 A B 514 101.723 -7.860 -5.099 1.00 0.00 N ATOM 11055 C8 A B 514 102.843 -8.161 -5.845 1.00 0.00 C ATOM 11056 N7 A B 514 102.970 -7.442 -6.918 1.00 0.00 N ATOM 11057 C5 A B 514 101.861 -6.607 -6.897 1.00 0.00 C ATOM 11058 C6 A B 514 101.416 -5.603 -7.771 1.00 0.00 C ATOM 11059 N6 A B 514 102.062 -5.253 -8.885 1.00 0.00 N ATOM 11060 N1 A B 514 100.276 -4.966 -7.450 1.00 0.00 N ATOM 11061 C2 A B 514 99.634 -5.315 -6.331 1.00 0.00 C ATOM 11062 N3 A B 514 99.952 -6.234 -5.448 1.00 0.00 N ATOM 11063 C4 A B 514 101.098 -6.857 -5.790 1.00 0.00 C ATOM 11064 P A B 515 101.692 -13.040 -5.819 1.00 0.00 P ATOM 11065 O1P A B 515 103.121 -13.398 -5.695 1.00 0.00 O ATOM 11066 O2P A B 515 101.410 -11.660 -6.279 1.00 0.00 O ATOM 11067 O5* A B 515 100.949 -14.089 -6.771 1.00 0.00 O ATOM 11068 C5* A B 515 99.916 -13.621 -7.658 1.00 0.00 C ATOM 11069 C4* A B 515 99.442 -14.751 -8.549 1.00 0.00 C ATOM 11070 O4* A B 515 100.519 -15.114 -9.457 1.00 0.00 O ATOM 11071 C3* A B 515 99.105 -16.063 -7.837 1.00 0.00 C ATOM 11072 O3* A B 515 97.805 -16.053 -7.338 1.00 0.00 O ATOM 11073 C2* A B 515 99.298 -17.090 -8.949 1.00 0.00 C ATOM 11074 O2* A B 515 98.207 -17.064 -9.853 1.00 0.00 O ATOM 11075 C1* A B 515 100.502 -16.513 -9.692 1.00 0.00 C ATOM 11076 N9 A B 515 101.808 -17.073 -9.240 1.00 0.00 N ATOM 11077 C8 A B 515 102.782 -16.481 -8.469 1.00 0.00 C ATOM 11078 N7 A B 515 103.812 -17.240 -8.250 1.00 0.00 N ATOM 11079 C5 A B 515 103.509 -18.419 -8.917 1.00 0.00 C ATOM 11080 C6 A B 515 104.204 -19.627 -9.068 1.00 0.00 C ATOM 11081 N6 A B 515 105.410 -19.859 -8.529 1.00 0.00 N ATOM 11082 N1 A B 515 103.617 -20.596 -9.795 1.00 0.00 N ATOM 11083 C2 A B 515 102.419 -20.360 -10.330 1.00 0.00 C ATOM 11084 N3 A B 515 101.676 -19.275 -10.256 1.00 0.00 N ATOM 11085 C4 A B 515 102.286 -18.324 -9.521 1.00 0.00 C ATOM 11086 P C B 516 97.494 -16.845 -5.943 1.00 0.00 P ATOM 11087 O1P C B 516 96.185 -16.419 -5.394 1.00 0.00 O ATOM 11088 O2P C B 516 98.651 -16.709 -5.032 1.00 0.00 O ATOM 11089 O5* C B 516 97.393 -18.350 -6.473 1.00 0.00 O ATOM 11090 C5* C B 516 96.388 -18.685 -7.446 1.00 0.00 C ATOM 11091 C4* C B 516 96.554 -20.123 -7.894 1.00 0.00 C ATOM 11092 O4* C B 516 97.795 -20.239 -8.649 1.00 0.00 O ATOM 11093 C3* C B 516 96.705 -21.156 -6.777 1.00 0.00 C ATOM 11094 O3* C B 516 95.469 -21.562 -6.286 1.00 0.00 O ATOM 11095 C2* C B 516 97.457 -22.280 -7.484 1.00 0.00 C ATOM 11096 O2* C B 516 96.587 -23.021 -8.320 1.00 0.00 O ATOM 11097 C1* C B 516 98.395 -21.499 -8.399 1.00 0.00 C ATOM 11098 N1 C B 516 99.742 -21.253 -7.809 1.00 0.00 N ATOM 11099 C2 C B 516 100.624 -22.328 -7.744 1.00 0.00 C ATOM 11100 O2 C B 516 100.259 -23.429 -8.174 1.00 0.00 O ATOM 11101 N3 C B 516 101.856 -22.130 -7.211 1.00 0.00 N ATOM 11102 C4 C B 516 102.214 -20.920 -6.756 1.00 0.00 C ATOM 11103 N4 C B 516 103.430 -20.777 -6.246 1.00 0.00 N ATOM 11104 C5 C B 516 101.322 -19.803 -6.815 1.00 0.00 C ATOM 11105 C6 C B 516 100.096 -20.023 -7.351 1.00 0.00 C ATOM 11106 P C B 517 95.339 -21.935 -4.702 1.00 0.00 P ATOM 11107 O1P C B 517 93.913 -21.982 -4.302 1.00 0.00 O ATOM 11108 O2P C B 517 96.199 -21.030 -3.908 1.00 0.00 O ATOM 11109 O5* C B 517 95.950 -23.416 -4.690 1.00 0.00 O ATOM 11110 C5* C B 517 95.313 -24.440 -5.477 1.00 0.00 C ATOM 11111 C4* C B 517 96.127 -25.718 -5.418 1.00 0.00 C ATOM 11112 O4* C B 517 97.387 -25.503 -6.115 1.00 0.00 O ATOM 11113 C3* C B 517 96.551 -26.174 -4.021 1.00 0.00 C ATOM 11114 O3* C B 517 95.543 -26.910 -3.397 1.00 0.00 O ATOM 11115 C2* C B 517 97.790 -27.012 -4.321 1.00 0.00 C ATOM 11116 O2* C B 517 97.428 -28.279 -4.844 1.00 0.00 O ATOM 11117 C1* C B 517 98.423 -26.223 -5.462 1.00 0.00 C ATOM 11118 N1 C B 517 99.454 -25.245 -5.018 1.00 0.00 N ATOM 11119 C2 C B 517 100.689 -25.742 -4.610 1.00 0.00 C ATOM 11120 O2 C B 517 100.878 -26.963 -4.637 1.00 0.00 O ATOM 11121 N3 C B 517 101.643 -24.864 -4.198 1.00 0.00 N ATOM 11122 C4 C B 517 101.395 -23.549 -4.183 1.00 0.00 C ATOM 11123 N4 C B 517 102.358 -22.736 -3.774 1.00 0.00 N ATOM 11124 C5 C B 517 100.131 -23.018 -4.599 1.00 0.00 C ATOM 11125 C6 C B 517 99.193 -23.909 -5.005 1.00 0.00 C ATOM 11126 P G B 518 95.376 -26.790 -1.777 1.00 0.00 P ATOM 11127 O1P G B 518 94.061 -27.331 -1.360 1.00 0.00 O ATOM 11128 O2P G B 518 95.663 -25.403 -1.352 1.00 0.00 O ATOM 11129 O5* G B 518 96.544 -27.765 -1.283 1.00 0.00 O ATOM 11130 C5* G B 518 96.507 -29.152 -1.665 1.00 0.00 C ATOM 11131 C4* G B 518 97.764 -29.852 -1.195 1.00 0.00 C ATOM 11132 O4* G B 518 98.899 -29.336 -1.946 1.00 0.00 O ATOM 11133 C3* G B 518 98.150 -29.621 0.265 1.00 0.00 C ATOM 11134 O3* G B 518 97.474 -30.489 1.121 1.00 0.00 O ATOM 11135 C2* G B 518 99.657 -29.873 0.242 1.00 0.00 C ATOM 11136 O2* G B 518 99.931 -31.263 0.182 1.00 0.00 O ATOM 11137 C1* G B 518 100.046 -29.285 -1.109 1.00 0.00 C ATOM 11138 N9 G B 518 100.501 -27.868 -1.038 1.00 0.00 N ATOM 11139 C8 G B 518 99.842 -26.722 -1.424 1.00 0.00 C ATOM 11140 N7 G B 518 100.524 -25.620 -1.225 1.00 0.00 N ATOM 11141 C5 G B 518 101.722 -26.070 -0.667 1.00 0.00 C ATOM 11142 C6 G B 518 102.859 -25.341 -0.237 1.00 0.00 C ATOM 11143 O6 G B 518 103.051 -24.128 -0.262 1.00 0.00 O ATOM 11144 N1 G B 518 103.852 -26.190 0.266 1.00 0.00 N ATOM 11145 C2 G B 518 103.758 -27.567 0.348 1.00 0.00 C ATOM 11146 N2 G B 518 104.814 -28.200 0.861 1.00 0.00 N ATOM 11147 N3 G B 518 102.689 -28.250 -0.055 1.00 0.00 N ATOM 11148 C4 G B 518 101.715 -27.439 -0.548 1.00 0.00 C ATOM 11149 P U B 519 97.058 -29.962 2.607 1.00 0.00 P ATOM 11150 O1P U B 519 96.052 -30.865 3.208 1.00 0.00 O ATOM 11151 O2P U B 519 96.682 -28.532 2.534 1.00 0.00 O ATOM 11152 O5* U B 519 98.450 -30.113 3.382 1.00 0.00 O ATOM 11153 C5* U B 519 99.049 -31.419 3.489 1.00 0.00 C ATOM 11154 C4* U B 519 100.412 -31.309 4.142 1.00 0.00 C ATOM 11155 O4* U B 519 101.313 -30.608 3.242 1.00 0.00 O ATOM 11156 C3* U B 519 100.469 -30.492 5.433 1.00 0.00 C ATOM 11157 O3* U B 519 100.113 -31.256 6.542 1.00 0.00 O ATOM 11158 C2* U B 519 101.932 -30.050 5.466 1.00 0.00 C ATOM 11159 O2* U B 519 102.769 -31.120 5.873 1.00 0.00 O ATOM 11160 C1* U B 519 102.213 -29.803 3.987 1.00 0.00 C ATOM 11161 N1 U B 519 102.018 -28.386 3.570 1.00 0.00 N ATOM 11162 C2 U B 519 102.973 -27.482 3.960 1.00 0.00 C ATOM 11163 O2 U B 519 103.950 -27.793 4.619 1.00 0.00 O ATOM 11164 N3 U B 519 102.759 -26.179 3.557 1.00 0.00 N ATOM 11165 C4 U B 519 101.693 -25.718 2.811 1.00 0.00 C ATOM 11166 O4 U B 519 101.606 -24.527 2.508 1.00 0.00 O ATOM 11167 C5 U B 519 100.741 -26.741 2.451 1.00 0.00 C ATOM 11168 C6 U B 519 100.925 -28.015 2.830 1.00 0.00 C ATOM 11169 P G B 520 99.319 -30.532 7.771 1.00 0.00 P ATOM 11170 O1P G B 520 98.716 -31.551 8.661 1.00 0.00 O ATOM 11171 O2P G B 520 98.393 -29.518 7.229 1.00 0.00 O ATOM 11172 O5* G B 520 100.535 -29.810 8.524 1.00 0.00 O ATOM 11173 C5* G B 520 101.604 -30.613 9.054 1.00 0.00 C ATOM 11174 C4* G B 520 102.697 -29.721 9.609 1.00 0.00 C ATOM 11175 O4* G B 520 103.332 -29.012 8.506 1.00 0.00 O ATOM 11176 C3* G B 520 102.234 -28.605 10.546 1.00 0.00 C ATOM 11177 O3* G B 520 102.088 -29.062 11.854 1.00 0.00 O ATOM 11178 C2* G B 520 103.357 -27.579 10.400 1.00 0.00 C ATOM 11179 O2* G B 520 104.505 -27.986 11.127 1.00 0.00 O ATOM 11180 C1* G B 520 103.701 -27.707 8.923 1.00 0.00 C ATOM 11181 N9 G B 520 102.984 -26.728 8.056 1.00 0.00 N ATOM 11182 C8 G B 520 101.932 -26.936 7.192 1.00 0.00 C ATOM 11183 N7 G B 520 101.528 -25.855 6.572 1.00 0.00 N ATOM 11184 C5 G B 520 102.375 -24.859 7.058 1.00 0.00 C ATOM 11185 C6 G B 520 102.426 -23.476 6.754 1.00 0.00 C ATOM 11186 O6 G B 520 101.723 -22.829 5.982 1.00 0.00 O ATOM 11187 N1 G B 520 103.442 -22.828 7.473 1.00 0.00 N ATOM 11188 C2 G B 520 104.295 -23.440 8.370 1.00 0.00 C ATOM 11189 N2 G B 520 105.197 -22.650 8.954 1.00 0.00 N ATOM 11190 N3 G B 520 104.248 -24.741 8.655 1.00 0.00 N ATOM 11191 C4 G B 520 103.268 -25.382 7.964 1.00 0.00 C ATOM 11192 P U B 521 100.911 -28.420 12.782 1.00 0.00 P ATOM 11193 O1P U B 521 100.678 -29.269 13.973 1.00 0.00 O ATOM 11194 O2P U B 521 99.721 -28.140 11.948 1.00 0.00 O ATOM 11195 O5* U B 521 101.599 -27.043 13.227 1.00 0.00 O ATOM 11196 C5* U B 521 102.826 -27.085 13.975 1.00 0.00 C ATOM 11197 C4* U B 521 103.360 -25.682 14.177 1.00 0.00 C ATOM 11198 O4* U B 521 103.777 -25.148 12.887 1.00 0.00 O ATOM 11199 C3* U B 521 102.353 -24.654 14.693 1.00 0.00 C ATOM 11200 O3* U B 521 102.243 -24.699 16.081 1.00 0.00 O ATOM 11201 C2* U B 521 102.950 -23.339 14.189 1.00 0.00 C ATOM 11202 O2* U B 521 104.054 -22.953 14.989 1.00 0.00 O ATOM 11203 C1* U B 521 103.507 -23.754 12.833 1.00 0.00 C ATOM 11204 N1 U B 521 102.568 -23.514 11.701 1.00 0.00 N ATOM 11205 C2 U B 521 102.399 -22.212 11.297 1.00 0.00 C ATOM 11206 O2 U B 521 102.977 -21.273 11.820 1.00 0.00 O ATOM 11207 N3 U B 521 101.522 -22.026 10.245 1.00 0.00 N ATOM 11208 C4 U B 521 100.819 -23.011 9.583 1.00 0.00 C ATOM 11209 O4 U B 521 100.061 -22.721 8.654 1.00 0.00 O ATOM 11210 C5 U B 521 101.062 -24.344 10.079 1.00 0.00 C ATOM 11211 C6 U B 521 101.910 -24.552 11.100 1.00 0.00 C ATOM 11212 P A B 522 100.791 -24.385 16.761 1.00 0.00 P ATOM 11213 O1P A B 522 100.779 -24.833 18.171 1.00 0.00 O ATOM 11214 O2P A B 522 99.715 -24.930 15.903 1.00 0.00 O ATOM 11215 O5* A B 522 100.771 -22.785 16.703 1.00 0.00 O ATOM 11216 C5* A B 522 101.794 -22.049 17.397 1.00 0.00 C ATOM 11217 C4* A B 522 101.657 -20.570 17.103 1.00 0.00 C ATOM 11218 O4* A B 522 101.979 -20.334 15.703 1.00 0.00 O ATOM 11219 C3* A B 522 100.252 -19.987 17.264 1.00 0.00 C ATOM 11220 O3* A B 522 99.990 -19.642 18.587 1.00 0.00 O ATOM 11221 C2* A B 522 100.304 -18.770 16.339 1.00 0.00 C ATOM 11222 O2* A B 522 101.028 -17.711 16.940 1.00 0.00 O ATOM 11223 C1* A B 522 101.156 -19.297 15.190 1.00 0.00 C ATOM 11224 N9 A B 522 100.362 -19.856 14.059 1.00 0.00 N ATOM 11225 C8 A B 522 100.173 -21.171 13.703 1.00 0.00 C ATOM 11226 N7 A B 522 99.417 -21.329 12.658 1.00 0.00 N ATOM 11227 C5 A B 522 99.080 -20.036 12.288 1.00 0.00 C ATOM 11228 C6 A B 522 98.289 -19.522 11.249 1.00 0.00 C ATOM 11229 N6 A B 522 97.668 -20.291 10.344 1.00 0.00 N ATOM 11230 N1 A B 522 98.161 -18.185 11.170 1.00 0.00 N ATOM 11231 C2 A B 522 98.778 -17.426 12.073 1.00 0.00 C ATOM 11232 N3 A B 522 99.537 -17.790 13.084 1.00 0.00 N ATOM 11233 C4 A B 522 99.651 -19.133 13.140 1.00 0.00 C ATOM 11234 P C B 523 98.465 -19.803 19.151 1.00 0.00 P ATOM 11235 O1P C B 523 98.457 -19.749 20.631 1.00 0.00 O ATOM 11236 O2P C B 523 97.840 -21.003 18.545 1.00 0.00 O ATOM 11237 O5* C B 523 97.786 -18.482 18.556 1.00 0.00 O ATOM 11238 C5* C B 523 98.301 -17.196 18.944 1.00 0.00 C ATOM 11239 C4* C B 523 97.596 -16.099 18.172 1.00 0.00 C ATOM 11240 O4* C B 523 97.971 -16.193 16.769 1.00 0.00 O ATOM 11241 C3* C B 523 96.069 -16.175 18.152 1.00 0.00 C ATOM 11242 O3* C B 523 95.512 -15.590 19.288 1.00 0.00 O ATOM 11243 C2* C B 523 95.727 -15.415 16.873 1.00 0.00 C ATOM 11244 O2* C B 523 95.854 -14.017 17.068 1.00 0.00 O ATOM 11245 C1* C B 523 96.866 -15.841 15.951 1.00 0.00 C ATOM 11246 N1 C B 523 96.536 -17.009 15.092 1.00 0.00 N ATOM 11247 C2 C B 523 95.677 -16.806 14.015 1.00 0.00 C ATOM 11248 O2 C B 523 95.230 -15.668 13.818 1.00 0.00 O ATOM 11249 N3 C B 523 95.363 -17.859 13.220 1.00 0.00 N ATOM 11250 C4 C B 523 95.870 -19.073 13.465 1.00 0.00 C ATOM 11251 N4 C B 523 95.534 -20.071 12.659 1.00 0.00 N ATOM 11252 C5 C B 523 96.754 -19.306 14.566 1.00 0.00 C ATOM 11253 C6 C B 523 97.056 -18.240 15.352 1.00 0.00 C ATOM 11254 P G B 524 94.136 -16.222 19.902 1.00 0.00 P ATOM 11255 O1P G B 524 93.912 -15.723 21.275 1.00 0.00 O ATOM 11256 O2P G B 524 94.160 -17.695 19.750 1.00 0.00 O ATOM 11257 O5* G B 524 93.048 -15.591 18.910 1.00 0.00 O ATOM 11258 C5* G B 524 92.923 -14.158 18.834 1.00 0.00 C ATOM 11259 C4* G B 524 91.931 -13.783 17.750 1.00 0.00 C ATOM 11260 O4* G B 524 92.491 -14.136 16.453 1.00 0.00 O ATOM 11261 C3* G B 524 90.594 -14.528 17.787 1.00 0.00 C ATOM 11262 O3* G B 524 89.698 -13.926 18.668 1.00 0.00 O ATOM 11263 C2* G B 524 90.139 -14.432 16.333 1.00 0.00 C ATOM 11264 O2* G B 524 89.639 -13.138 16.042 1.00 0.00 O ATOM 11265 C1* G B 524 91.461 -14.575 15.585 1.00 0.00 C ATOM 11266 N9 G B 524 91.769 -15.974 15.178 1.00 0.00 N ATOM 11267 C8 G B 524 92.686 -16.854 15.709 1.00 0.00 C ATOM 11268 N7 G B 524 92.709 -18.023 15.112 1.00 0.00 N ATOM 11269 C5 G B 524 91.741 -17.909 14.116 1.00 0.00 C ATOM 11270 C6 G B 524 91.315 -18.849 13.145 1.00 0.00 C ATOM 11271 O6 G B 524 91.707 -19.999 12.962 1.00 0.00 O ATOM 11272 N1 G B 524 90.307 -18.320 12.327 1.00 0.00 N ATOM 11273 C2 G B 524 89.780 -17.047 12.434 1.00 0.00 C ATOM 11274 N2 G B 524 88.824 -16.730 11.557 1.00 0.00 N ATOM 11275 N3 G B 524 90.182 -16.163 13.346 1.00 0.00 N ATOM 11276 C4 G B 524 91.162 -16.661 14.149 1.00 0.00 C ATOM 11277 P U B 525 90.095 -12.953 20.295 1.00 0.00 P ATOM 11278 O1P U B 525 89.639 -11.571 20.008 1.00 0.00 O ATOM 11279 O2P U B 525 91.537 -13.102 20.599 1.00 0.00 O ATOM 11280 O5* U B 525 89.181 -13.452 21.913 1.00 0.00 O ATOM 11281 C5* U B 525 88.636 -13.509 23.381 1.00 0.00 C ATOM 11282 C4* U B 525 89.579 -13.455 24.853 1.00 0.00 C ATOM 11283 O4* U B 525 90.866 -13.318 24.191 1.00 0.00 O ATOM 11284 C3* U B 525 89.574 -12.331 25.887 1.00 0.00 C ATOM 11285 O3* U B 525 88.827 -12.465 27.434 1.00 0.00 O ATOM 11286 C2* U B 525 91.034 -12.295 26.330 1.00 0.00 C ATOM 11287 O2* U B 525 91.316 -13.375 27.204 1.00 0.00 O ATOM 11288 C1* U B 525 91.758 -12.588 25.018 1.00 0.00 C ATOM 11289 N1 U B 525 92.270 -11.213 24.169 1.00 0.00 N ATOM 11290 C2 U B 525 93.534 -10.746 24.448 1.00 0.00 C ATOM 11291 O2 U B 525 94.231 -11.206 25.335 1.00 0.00 O ATOM 11292 N3 U B 525 93.965 -9.700 23.656 1.00 0.00 N ATOM 11293 C4 U B 525 93.258 -9.104 22.632 1.00 0.00 C ATOM 11294 O4 U B 525 93.748 -8.169 21.989 1.00 0.00 O ATOM 11295 C5 U B 525 91.942 -9.661 22.417 1.00 0.00 C ATOM 11296 C6 U B 525 91.498 -10.682 23.175 1.00 0.00 C ATOM 11297 P A B 526 87.188 -12.152 28.430 1.00 0.00 P ATOM 11298 O1P A B 526 86.626 -13.504 28.653 1.00 0.00 O ATOM 11299 O2P A B 526 86.283 -11.175 27.787 1.00 0.00 O ATOM 11300 O5* A B 526 87.318 -11.245 30.116 1.00 0.00 O ATOM 11301 C5* A B 526 86.086 -11.068 31.008 1.00 0.00 C ATOM 11302 C4* A B 526 86.196 -10.066 32.298 1.00 0.00 C ATOM 11303 O4* A B 526 87.343 -9.162 32.250 1.00 0.00 O ATOM 11304 C3* A B 526 85.420 -9.604 33.533 1.00 0.00 C ATOM 11305 O3* A B 526 83.954 -9.231 33.793 1.00 0.00 O ATOM 11306 C2* A B 526 86.544 -9.216 34.487 1.00 0.00 C ATOM 11307 O2* A B 526 87.156 -10.364 35.047 1.00 0.00 O ATOM 11308 C1* A B 526 87.555 -8.595 33.531 1.00 0.00 C ATOM 11309 N9 A B 526 87.458 -6.976 33.396 1.00 0.00 N ATOM 11310 C8 A B 526 88.017 -6.164 32.433 1.00 0.00 C ATOM 11311 N7 A B 526 87.935 -4.898 32.699 1.00 0.00 N ATOM 11312 C5 A B 526 87.284 -4.853 33.924 1.00 0.00 C ATOM 11313 C6 A B 526 86.894 -3.785 34.748 1.00 0.00 C ATOM 11314 N6 A B 526 87.119 -2.500 34.453 1.00 0.00 N ATOM 11315 N1 A B 526 86.269 -4.092 35.900 1.00 0.00 N ATOM 11316 C2 A B 526 86.049 -5.371 36.191 1.00 0.00 C ATOM 11317 N3 A B 526 86.364 -6.449 35.502 1.00 0.00 N ATOM 11318 C4 A B 526 86.992 -6.112 34.353 1.00 0.00 C ATOM 11319 P C B 527 83.215 -9.043 35.496 1.00 0.00 P ATOM 11320 O1P C B 527 83.517 -10.056 36.531 1.00 0.00 O ATOM 11321 O2P C B 527 81.786 -8.901 35.133 1.00 0.00 O ATOM 11322 O5* C B 527 83.989 -7.470 36.067 1.00 0.00 O ATOM 11323 C5* C B 527 83.856 -6.459 37.135 1.00 0.00 C ATOM 11324 C4* C B 527 83.182 -5.072 36.589 1.00 0.00 C ATOM 11325 O4* C B 527 82.297 -5.337 35.456 1.00 0.00 O ATOM 11326 C3* C B 527 82.489 -3.916 37.324 1.00 0.00 C ATOM 11327 O3* C B 527 83.415 -2.964 38.166 1.00 0.00 O ATOM 11328 C2* C B 527 81.910 -3.102 36.171 1.00 0.00 C ATOM 11329 O2* C B 527 82.926 -2.354 35.524 1.00 0.00 O ATOM 11330 C1* C B 527 81.486 -4.201 35.200 1.00 0.00 C ATOM 11331 N1 C B 527 79.843 -4.672 35.327 1.00 0.00 N ATOM 11332 C2 C B 527 78.940 -4.128 34.417 1.00 0.00 C ATOM 11333 O2 C B 527 79.354 -3.324 33.572 1.00 0.00 O ATOM 11334 N3 C B 527 77.637 -4.501 34.495 1.00 0.00 N ATOM 11335 C4 C B 527 77.227 -5.372 35.422 1.00 0.00 C ATOM 11336 N4 C B 527 75.943 -5.705 35.456 1.00 0.00 N ATOM 11337 C5 C B 527 78.144 -5.946 36.366 1.00 0.00 C ATOM 11338 C6 C B 527 79.439 -5.561 36.273 1.00 0.00 C ATOM 11339 P A B 528 83.072 -2.315 39.871 1.00 0.00 P ATOM 11340 O1P A B 528 84.376 -2.066 40.523 1.00 0.00 O ATOM 11341 O2P A B 528 82.126 -3.172 40.625 1.00 0.00 O ATOM 11342 O5* A B 528 82.301 -0.684 39.463 1.00 0.00 O ATOM 11343 C5* A B 528 81.428 0.382 39.975 1.00 0.00 C ATOM 11344 C4* A B 528 81.592 1.879 39.329 1.00 0.00 C ATOM 11345 O4* A B 528 80.507 2.850 39.266 1.00 0.00 O ATOM 11346 C3* A B 528 82.854 2.734 39.443 1.00 0.00 C ATOM 11347 O3* A B 528 84.166 2.539 40.181 1.00 0.00 O ATOM 11348 C2* A B 528 82.505 3.931 38.557 1.00 0.00 C ATOM 11349 O2* A B 528 82.614 3.591 37.187 1.00 0.00 O ATOM 11350 C1* A B 528 81.019 4.107 38.855 1.00 0.00 C ATOM 11351 N9 A B 528 80.676 5.231 40.048 1.00 0.00 N ATOM 11352 C8 A B 528 80.330 6.551 39.902 1.00 0.00 C ATOM 11353 N7 A B 528 80.288 7.216 41.019 1.00 0.00 N ATOM 11354 C5 A B 528 80.628 6.276 41.978 1.00 0.00 C ATOM 11355 C6 A B 528 80.761 6.353 43.375 1.00 0.00 C ATOM 11356 N6 A B 528 80.557 7.473 44.078 1.00 0.00 N ATOM 11357 N1 A B 528 81.115 5.227 44.024 1.00 0.00 N ATOM 11358 C2 A B 528 81.313 4.115 43.325 1.00 0.00 C ATOM 11359 N3 A B 528 81.218 3.919 42.028 1.00 0.00 N ATOM 11360 C4 A B 528 80.865 5.060 41.394 1.00 0.00 C ATOM 11361 P A B 529 85.464 3.487 39.301 1.00 0.00 P ATOM 11362 O1P A B 529 85.316 3.252 37.846 1.00 0.00 O ATOM 11363 O2P A B 529 86.821 3.264 39.853 1.00 0.00 O ATOM 11364 O5* A B 529 84.796 5.128 39.766 1.00 0.00 O ATOM 11365 C5* A B 529 84.591 6.511 40.168 1.00 0.00 C ATOM 11366 C4* A B 529 85.929 7.168 40.888 1.00 0.00 C ATOM 11367 O4* A B 529 87.109 6.643 40.205 1.00 0.00 O ATOM 11368 C3* A B 529 86.163 8.678 40.913 1.00 0.00 C ATOM 11369 O3* A B 529 85.388 9.542 41.890 1.00 0.00 O ATOM 11370 C2* A B 529 87.673 8.765 41.105 1.00 0.00 C ATOM 11371 O2* A B 529 88.028 8.488 42.452 1.00 0.00 O ATOM 11372 C1* A B 529 88.163 7.587 40.269 1.00 0.00 C ATOM 11373 N9 A B 529 88.605 7.974 38.732 1.00 0.00 N ATOM 11374 C8 A B 529 87.804 8.104 37.619 1.00 0.00 C ATOM 11375 N7 A B 529 88.416 8.594 36.584 1.00 0.00 N ATOM 11376 C5 A B 529 89.713 8.798 37.026 1.00 0.00 C ATOM 11377 C6 A B 529 90.863 9.304 36.394 1.00 0.00 C ATOM 11378 N6 A B 529 90.885 9.708 35.116 1.00 0.00 N ATOM 11379 N1 A B 529 91.991 9.375 37.124 1.00 0.00 N ATOM 11380 C2 A B 529 91.962 8.975 38.396 1.00 0.00 C ATOM 11381 N3 A B 529 90.954 8.486 39.084 1.00 0.00 N ATOM 11382 C4 A B 529 89.838 8.426 38.335 1.00 0.00 C ATOM 11383 P G B 530 83.774 10.172 41.353 1.00 0.00 P ATOM 11384 O1P G B 530 82.896 9.035 41.011 1.00 0.00 O ATOM 11385 O2P G B 530 83.763 11.311 40.404 1.00 0.00 O ATOM 11386 O5* G B 530 83.659 10.776 43.073 1.00 0.00 O ATOM 11387 C5* G B 530 84.236 10.994 44.403 1.00 0.00 C ATOM 11388 C4* G B 530 84.018 9.733 45.413 1.00 0.00 C ATOM 11389 O4* G B 530 83.279 8.696 44.714 1.00 0.00 O ATOM 11390 C3* G B 530 85.124 8.971 46.140 1.00 0.00 C ATOM 11391 O3* G B 530 85.857 9.704 47.298 1.00 0.00 O ATOM 11392 C2* G B 530 84.418 7.678 46.532 1.00 0.00 C ATOM 11393 O2* G B 530 83.560 7.889 47.644 1.00 0.00 O ATOM 11394 C1* G B 530 83.526 7.434 45.318 1.00 0.00 C ATOM 11395 N9 G B 530 84.205 6.384 44.124 1.00 0.00 N ATOM 11396 C8 G B 530 83.809 6.181 42.815 1.00 0.00 C ATOM 11397 N7 G B 530 84.451 5.211 42.208 1.00 0.00 N ATOM 11398 C5 G B 530 85.334 4.741 43.180 1.00 0.00 C ATOM 11399 C6 G B 530 86.294 3.695 43.107 1.00 0.00 C ATOM 11400 O6 G B 530 86.567 2.957 42.167 1.00 0.00 O ATOM 11401 N1 G B 530 86.977 3.552 44.324 1.00 0.00 N ATOM 11402 C2 G B 530 86.765 4.314 45.454 1.00 0.00 C ATOM 11403 N2 G B 530 87.520 4.012 46.514 1.00 0.00 N ATOM 11404 N3 G B 530 85.865 5.292 45.519 1.00 0.00 N ATOM 11405 C4 G B 530 85.191 5.447 44.351 1.00 0.00 C ATOM 11406 P C B 531 87.675 9.433 47.437 1.00 0.00 P ATOM 11407 O1P C B 531 88.414 10.415 46.612 1.00 0.00 O ATOM 11408 O2P C B 531 88.021 8.013 47.216 1.00 0.00 O ATOM 11409 O5* C B 531 87.818 9.851 49.223 1.00 0.00 O ATOM 11410 C5* C B 531 87.992 9.279 50.546 1.00 0.00 C ATOM 11411 C4* C B 531 89.190 9.773 51.541 1.00 0.00 C ATOM 11412 O4* C B 531 90.485 10.260 51.079 1.00 0.00 O ATOM 11413 C3* C B 531 88.988 10.474 52.884 1.00 0.00 C ATOM 11414 O3* C B 531 87.858 10.018 53.824 1.00 0.00 O ATOM 11415 C2* C B 531 90.411 10.506 53.441 1.00 0.00 C ATOM 11416 O2* C B 531 90.781 9.228 53.935 1.00 0.00 O ATOM 11417 C1* C B 531 91.229 10.751 52.182 1.00 0.00 C ATOM 11418 N1 C B 531 91.609 12.394 51.887 1.00 0.00 N ATOM 11419 C2 C B 531 92.500 13.021 52.756 1.00 0.00 C ATOM 11420 O2 C B 531 92.961 12.373 53.700 1.00 0.00 O ATOM 11421 N3 C B 531 92.830 14.314 52.527 1.00 0.00 N ATOM 11422 C4 C B 531 92.310 14.980 51.492 1.00 0.00 C ATOM 11423 N4 C B 531 92.663 16.244 51.317 1.00 0.00 N ATOM 11424 C5 C B 531 91.392 14.359 50.589 1.00 0.00 C ATOM 11425 C6 C B 531 91.069 13.062 50.830 1.00 0.00 C ATOM 11426 P A B 532 87.701 8.273 54.364 1.00 0.00 P ATOM 11427 O1P A B 532 88.982 7.612 54.716 1.00 0.00 O ATOM 11428 O2P A B 532 86.831 7.527 53.431 1.00 0.00 O ATOM 11429 O5* A B 532 86.865 8.782 55.903 1.00 0.00 O ATOM 11430 C5* A B 532 87.094 8.827 57.329 1.00 0.00 C ATOM 11431 C4* A B 532 86.339 7.624 58.079 1.00 0.00 C ATOM 11432 O4* A B 532 86.590 6.263 57.621 1.00 0.00 O ATOM 11433 C3* A B 532 85.992 7.455 59.558 1.00 0.00 C ATOM 11434 O3* A B 532 86.906 7.750 60.799 1.00 0.00 O ATOM 11435 C2* A B 532 85.219 6.140 59.560 1.00 0.00 C ATOM 11436 O2* A B 532 83.906 6.327 59.064 1.00 0.00 O ATOM 11437 C1* A B 532 85.978 5.339 58.505 1.00 0.00 C ATOM 11438 N9 A B 532 87.167 4.328 59.118 1.00 0.00 N ATOM 11439 C8 A B 532 88.525 4.386 58.916 1.00 0.00 C ATOM 11440 N7 A B 532 89.176 3.371 59.406 1.00 0.00 N ATOM 11441 C5 A B 532 88.181 2.581 59.971 1.00 0.00 C ATOM 11442 C6 A B 532 88.222 1.352 60.653 1.00 0.00 C ATOM 11443 N6 A B 532 89.356 0.679 60.890 1.00 0.00 N ATOM 11444 N1 A B 532 87.052 0.849 61.082 1.00 0.00 N ATOM 11445 C2 A B 532 85.933 1.522 60.842 1.00 0.00 C ATOM 11446 N3 A B 532 85.773 2.674 60.217 1.00 0.00 N ATOM 11447 C4 A B 532 86.960 3.157 59.799 1.00 0.00 C ATOM 11448 P G B 533 87.183 9.396 61.588 1.00 0.00 P ATOM 11449 O1P G B 533 88.530 9.851 61.184 1.00 0.00 O ATOM 11450 O2P G B 533 86.918 9.374 63.044 1.00 0.00 O ATOM 11451 O5* G B 533 86.067 10.277 60.847 1.00 0.00 O ATOM 11452 C5* G B 533 84.973 9.611 60.194 1.00 0.00 C ATOM 11453 C4* G B 533 83.982 10.632 59.672 1.00 0.00 C ATOM 11454 O4* G B 533 83.341 11.283 60.803 1.00 0.00 O ATOM 11455 C3* G B 533 84.577 11.788 58.868 1.00 0.00 C ATOM 11456 O3* G B 533 84.763 11.441 57.532 1.00 0.00 O ATOM 11457 C2* G B 533 83.527 12.880 59.052 1.00 0.00 C ATOM 11458 O2* G B 533 82.395 12.632 58.238 1.00 0.00 O ATOM 11459 C1* G B 533 83.091 12.646 60.496 1.00 0.00 C ATOM 11460 N9 G B 533 83.827 13.483 61.484 1.00 0.00 N ATOM 11461 C8 G B 533 84.811 13.116 62.374 1.00 0.00 C ATOM 11462 N7 G B 533 85.256 14.104 63.116 1.00 0.00 N ATOM 11463 C5 G B 533 84.513 15.203 62.685 1.00 0.00 C ATOM 11464 C6 G B 533 84.547 16.557 63.115 1.00 0.00 C ATOM 11465 O6 G B 533 85.252 17.070 63.979 1.00 0.00 O ATOM 11466 N1 G B 533 83.624 17.340 62.411 1.00 0.00 N ATOM 11467 C2 G B 533 82.777 16.879 61.420 1.00 0.00 C ATOM 11468 N2 G B 533 81.969 17.786 60.869 1.00 0.00 N ATOM 11469 N3 G B 533 82.748 15.611 61.017 1.00 0.00 N ATOM 11470 C4 G B 533 83.636 14.834 61.691 1.00 0.00 C ATOM 11471 P U B 534 86.034 12.070 56.726 1.00 0.00 P ATOM 11472 O1P U B 534 86.272 11.320 55.474 1.00 0.00 O ATOM 11473 O2P U B 534 87.192 12.182 57.641 1.00 0.00 O ATOM 11474 O5* U B 534 85.475 13.530 56.382 1.00 0.00 O ATOM 11475 C5* U B 534 84.290 13.653 55.575 1.00 0.00 C ATOM 11476 C4* U B 534 83.874 15.107 55.480 1.00 0.00 C ATOM 11477 O4* U B 534 83.424 15.556 56.793 1.00 0.00 O ATOM 11478 C3* U B 534 84.982 16.096 55.113 1.00 0.00 C ATOM 11479 O3* U B 534 85.165 16.167 53.735 1.00 0.00 O ATOM 11480 C2* U B 534 84.453 17.399 55.709 1.00 0.00 C ATOM 11481 O2* U B 534 83.428 17.944 54.895 1.00 0.00 O ATOM 11482 C1* U B 534 83.792 16.911 56.989 1.00 0.00 C ATOM 11483 N1 U B 534 84.680 16.974 58.183 1.00 0.00 N ATOM 11484 C2 U B 534 84.921 18.219 58.720 1.00 0.00 C ATOM 11485 O2 U B 534 84.443 19.239 58.259 1.00 0.00 O ATOM 11486 N3 U B 534 85.749 18.238 59.823 1.00 0.00 N ATOM 11487 C4 U B 534 86.341 17.146 60.425 1.00 0.00 C ATOM 11488 O4 U B 534 87.064 17.290 61.412 1.00 0.00 O ATOM 11489 C5 U B 534 86.031 15.884 59.793 1.00 0.00 C ATOM 11490 C6 U B 534 85.230 15.837 58.716 1.00 0.00 C ATOM 11491 P G B 535 86.672 16.427 53.158 1.00 0.00 P ATOM 11492 O1P G B 535 86.730 16.110 51.714 1.00 0.00 O ATOM 11493 O2P G B 535 87.654 15.725 54.013 1.00 0.00 O ATOM 11494 O5* G B 535 86.804 18.009 53.370 1.00 0.00 O ATOM 11495 C5* G B 535 85.878 18.884 52.697 1.00 0.00 C ATOM 11496 C4* G B 535 86.106 20.317 53.134 1.00 0.00 C ATOM 11497 O4* G B 535 85.726 20.446 54.535 1.00 0.00 O ATOM 11498 C3* G B 535 87.557 20.801 53.101 1.00 0.00 C ATOM 11499 O3* G B 535 87.920 21.240 51.830 1.00 0.00 O ATOM 11500 C2* G B 535 87.541 21.927 54.134 1.00 0.00 C ATOM 11501 O2* G B 535 86.930 23.091 53.600 1.00 0.00 O ATOM 11502 C1* G B 535 86.587 21.367 55.185 1.00 0.00 C ATOM 11503 N9 G B 535 87.276 20.647 56.293 1.00 0.00 N ATOM 11504 C8 G B 535 87.354 19.293 56.538 1.00 0.00 C ATOM 11505 N7 G B 535 88.042 18.981 57.610 1.00 0.00 N ATOM 11506 C5 G B 535 88.451 20.218 58.111 1.00 0.00 C ATOM 11507 C6 G B 535 89.226 20.526 59.257 1.00 0.00 C ATOM 11508 O6 G B 535 89.721 19.762 60.079 1.00 0.00 O ATOM 11509 N1 G B 535 89.405 21.910 59.396 1.00 0.00 N ATOM 11510 C2 G B 535 88.900 22.870 58.540 1.00 0.00 C ATOM 11511 N2 G B 535 89.182 24.137 58.844 1.00 0.00 N ATOM 11512 N3 G B 535 88.172 22.578 57.464 1.00 0.00 N ATOM 11513 C4 G B 535 87.987 21.238 57.316 1.00 0.00 C ATOM 11514 P G B 536 89.457 21.013 51.330 1.00 0.00 P ATOM 11515 O1P G B 536 89.551 21.202 49.864 1.00 0.00 O ATOM 11516 O2P G B 536 89.956 19.720 51.849 1.00 0.00 O ATOM 11517 O5* G B 536 90.197 22.220 52.079 1.00 0.00 O ATOM 11518 C5* G B 536 89.800 23.571 51.791 1.00 0.00 C ATOM 11519 C4* G B 536 90.537 24.535 52.695 1.00 0.00 C ATOM 11520 O4* G B 536 90.078 24.342 54.065 1.00 0.00 O ATOM 11521 C3* G B 536 92.052 24.338 52.785 1.00 0.00 C ATOM 11522 O3* G B 536 92.714 24.978 51.738 1.00 0.00 O ATOM 11523 C2* G B 536 92.373 24.949 54.146 1.00 0.00 C ATOM 11524 O2* G B 536 92.359 26.366 54.076 1.00 0.00 O ATOM 11525 C1* G B 536 91.156 24.534 54.965 1.00 0.00 C ATOM 11526 N9 G B 536 91.351 23.268 55.726 1.00 0.00 N ATOM 11527 C8 G B 536 90.838 22.014 55.475 1.00 0.00 C ATOM 11528 N7 G B 536 91.206 21.103 56.344 1.00 0.00 N ATOM 11529 C5 G B 536 92.021 21.803 57.234 1.00 0.00 C ATOM 11530 C6 G B 536 92.713 21.354 58.389 1.00 0.00 C ATOM 11531 O6 G B 536 92.752 20.226 58.873 1.00 0.00 O ATOM 11532 N1 G B 536 93.421 22.397 58.999 1.00 0.00 N ATOM 11533 C2 G B 536 93.460 23.703 58.552 1.00 0.00 C ATOM 11534 N2 G B 536 94.196 24.550 59.274 1.00 0.00 N ATOM 11535 N3 G B 536 92.811 24.124 57.468 1.00 0.00 N ATOM 11536 C4 G B 536 92.116 23.125 56.865 1.00 0.00 C ATOM 11537 P G B 537 94.528 24.967 51.801 1.00 0.00 P ATOM 11538 O1P G B 537 95.084 26.246 52.295 1.00 0.00 O ATOM 11539 O2P G B 537 95.122 24.444 50.548 1.00 0.00 O ATOM 11540 O5* G B 537 94.395 23.682 53.070 1.00 0.00 O ATOM 11541 C5* G B 537 94.534 23.573 54.488 1.00 0.00 C ATOM 11542 C4* G B 537 95.663 24.620 54.906 1.00 0.00 C ATOM 11543 O4* G B 537 95.581 25.472 56.085 1.00 0.00 O ATOM 11544 C3* G B 537 97.160 24.361 54.737 1.00 0.00 C ATOM 11545 O3* G B 537 97.543 23.821 53.320 1.00 0.00 O ATOM 11546 C2* G B 537 97.764 25.697 55.169 1.00 0.00 C ATOM 11547 O2* G B 537 97.613 26.668 54.148 1.00 0.00 O ATOM 11548 C1* G B 537 96.836 26.101 56.309 1.00 0.00 C ATOM 11549 N9 G B 537 97.401 25.650 57.905 1.00 0.00 N ATOM 11550 C8 G B 537 97.510 26.424 59.039 1.00 0.00 C ATOM 11551 N7 G B 537 97.990 25.780 60.079 1.00 0.00 N ATOM 11552 C5 G B 537 98.209 24.491 59.598 1.00 0.00 C ATOM 11553 C6 G B 537 98.718 23.344 60.257 1.00 0.00 C ATOM 11554 O6 G B 537 99.084 23.226 61.422 1.00 0.00 O ATOM 11555 N1 G B 537 98.775 22.242 59.395 1.00 0.00 N ATOM 11556 C2 G B 537 98.392 22.246 58.066 1.00 0.00 C ATOM 11557 N2 G B 537 98.528 21.088 57.415 1.00 0.00 N ATOM 11558 N3 G B 537 97.917 23.321 57.448 1.00 0.00 N ATOM 11559 C4 G B 537 97.855 24.400 58.271 1.00 0.00 C ATOM 11560 P A B 538 97.121 22.103 52.794 1.00 0.00 P ATOM 11561 O1P A B 538 95.678 21.777 52.751 1.00 0.00 O ATOM 11562 O2P A B 538 97.971 21.167 53.563 1.00 0.00 O ATOM 11563 O5* A B 538 97.631 22.361 51.049 1.00 0.00 O ATOM 11564 C5* A B 538 97.953 23.045 49.801 1.00 0.00 C ATOM 11565 C4* A B 538 99.448 23.674 49.940 1.00 0.00 C ATOM 11566 O4* A B 538 99.980 23.045 51.139 1.00 0.00 O ATOM 11567 C3* A B 538 100.629 23.671 48.964 1.00 0.00 C ATOM 11568 O3* A B 538 100.623 24.683 47.743 1.00 0.00 O ATOM 11569 C2* A B 538 101.812 23.918 49.903 1.00 0.00 C ATOM 11570 O2* A B 538 101.869 25.283 50.287 1.00 0.00 O ATOM 11571 C1* A B 538 101.399 23.129 51.136 1.00 0.00 C ATOM 11572 N9 A B 538 102.030 21.549 51.213 1.00 0.00 N ATOM 11573 C8 A B 538 101.707 20.462 50.436 1.00 0.00 C ATOM 11574 N7 A B 538 102.216 19.344 50.857 1.00 0.00 N ATOM 11575 C5 A B 538 102.927 19.701 51.988 1.00 0.00 C ATOM 11576 C6 A B 538 103.698 18.959 52.898 1.00 0.00 C ATOM 11577 N6 A B 538 103.887 17.635 52.801 1.00 0.00 N ATOM 11578 N1 A B 538 104.269 19.627 53.914 1.00 0.00 N ATOM 11579 C2 A B 538 104.080 20.943 54.010 1.00 0.00 C ATOM 11580 N3 A B 538 103.380 21.734 53.222 1.00 0.00 N ATOM 11581 C4 A B 538 102.821 21.043 52.211 1.00 0.00 C ATOM 11582 P G B 539 101.781 25.000 46.293 1.00 0.00 P ATOM 11583 O1P G B 539 101.004 26.072 45.631 1.00 0.00 O ATOM 11584 O2P G B 539 102.358 23.976 45.398 1.00 0.00 O ATOM 11585 O5* G B 539 102.939 25.648 47.191 1.00 0.00 O ATOM 11586 C5* G B 539 102.879 27.053 47.503 1.00 0.00 C ATOM 11587 C4* G B 539 103.994 27.421 48.458 1.00 0.00 C ATOM 11588 O4* G B 539 103.739 26.788 49.746 1.00 0.00 O ATOM 11589 C3* G B 539 105.389 26.926 48.075 1.00 0.00 C ATOM 11590 O3* G B 539 106.013 27.793 47.179 1.00 0.00 O ATOM 11591 C2* G B 539 106.094 26.874 49.431 1.00 0.00 C ATOM 11592 O2* G B 539 106.454 28.175 49.858 1.00 0.00 O ATOM 11593 C1* G B 539 104.965 26.400 50.344 1.00 0.00 C ATOM 11594 N9 G B 539 104.935 24.925 50.541 1.00 0.00 N ATOM 11595 C8 G B 539 104.064 23.995 50.016 1.00 0.00 C ATOM 11596 N7 G B 539 104.312 22.763 50.390 1.00 0.00 N ATOM 11597 C5 G B 539 105.426 22.885 51.222 1.00 0.00 C ATOM 11598 C6 G B 539 106.154 21.894 51.927 1.00 0.00 C ATOM 11599 O6 G B 539 105.966 20.679 51.964 1.00 0.00 O ATOM 11600 N1 G B 539 107.213 22.455 52.652 1.00 0.00 N ATOM 11601 C2 G B 539 107.529 23.800 52.689 1.00 0.00 C ATOM 11602 N2 G B 539 108.579 24.136 53.441 1.00 0.00 N ATOM 11603 N3 G B 539 106.845 24.730 52.028 1.00 0.00 N ATOM 11604 C4 G B 539 105.813 24.202 51.319 1.00 0.00 C ATOM 11605 P C B 540 107.013 27.168 46.050 1.00 0.00 P ATOM 11606 O1P C B 540 107.272 28.170 44.990 1.00 0.00 O ATOM 11607 O2P C B 540 106.482 25.867 45.589 1.00 0.00 O ATOM 11608 O5* C B 540 108.337 26.939 46.916 1.00 0.00 O ATOM 11609 C5* C B 540 108.970 28.070 47.539 1.00 0.00 C ATOM 11610 C4* C B 540 110.124 27.610 48.404 1.00 0.00 C ATOM 11611 O4* C B 540 109.597 26.863 49.537 1.00 0.00 O ATOM 11612 C3* C B 540 111.104 26.634 47.747 1.00 0.00 C ATOM 11613 O3* C B 540 112.068 27.301 46.998 1.00 0.00 O ATOM 11614 C2* C B 540 111.690 25.907 48.955 1.00 0.00 C ATOM 11615 O2* C B 540 112.642 26.724 49.616 1.00 0.00 O ATOM 11616 C1* C B 540 110.478 25.804 49.873 1.00 0.00 C ATOM 11617 N1 C B 540 109.732 24.523 49.736 1.00 0.00 N ATOM 11618 C2 C B 540 110.301 23.377 50.282 1.00 0.00 C ATOM 11619 O2 C B 540 111.394 23.469 50.854 1.00 0.00 O ATOM 11620 N3 C B 540 109.637 22.199 50.167 1.00 0.00 N ATOM 11621 C4 C B 540 108.454 22.139 49.543 1.00 0.00 C ATOM 11622 N4 C B 540 107.848 20.967 49.458 1.00 0.00 N ATOM 11623 C5 C B 540 107.848 23.307 48.974 1.00 0.00 C ATOM 11624 C6 C B 540 108.530 24.474 49.098 1.00 0.00 C ATOM 11625 P A B 541 112.636 26.596 45.639 1.00 0.00 P ATOM 11626 O1P A B 541 113.350 27.591 44.807 1.00 0.00 O ATOM 11627 O2P A B 541 111.536 25.868 44.966 1.00 0.00 O ATOM 11628 O5* A B 541 113.679 25.554 46.256 1.00 0.00 O ATOM 11629 C5* A B 541 114.785 26.051 47.033 1.00 0.00 C ATOM 11630 C4* A B 541 115.568 24.891 47.620 1.00 0.00 C ATOM 11631 O4* A B 541 114.743 24.221 48.613 1.00 0.00 O ATOM 11632 C3* A B 541 115.944 23.779 46.640 1.00 0.00 C ATOM 11633 O3* A B 541 117.114 24.082 45.945 1.00 0.00 O ATOM 11634 C2* A B 541 116.106 22.578 47.569 1.00 0.00 C ATOM 11635 O2* A B 541 117.333 22.647 48.274 1.00 0.00 O ATOM 11636 C1* A B 541 114.995 22.825 48.587 1.00 0.00 C ATOM 11637 N9 A B 541 113.719 22.132 48.263 1.00 0.00 N ATOM 11638 C8 A B 541 112.545 22.662 47.775 1.00 0.00 C ATOM 11639 N7 A B 541 111.606 21.783 47.594 1.00 0.00 N ATOM 11640 C5 A B 541 112.188 20.585 47.982 1.00 0.00 C ATOM 11641 C6 A B 541 111.707 19.266 48.027 1.00 0.00 C ATOM 11642 N6 A B 541 110.464 18.923 47.659 1.00 0.00 N ATOM 11643 N1 A B 541 112.548 18.313 48.467 1.00 0.00 N ATOM 11644 C2 A B 541 113.781 18.664 48.832 1.00 0.00 C ATOM 11645 N3 A B 541 114.338 19.853 48.834 1.00 0.00 N ATOM 11646 C4 A B 541 113.475 20.790 48.390 1.00 0.00 C ATOM 11647 P C B 542 117.264 23.572 44.403 1.00 0.00 P ATOM 11648 O1P C B 542 118.374 24.287 43.732 1.00 0.00 O ATOM 11649 O2P C B 542 115.947 23.647 43.728 1.00 0.00 O ATOM 11650 O5* C B 542 117.667 22.039 44.631 1.00 0.00 O ATOM 11651 C5* C B 542 118.875 21.736 45.353 1.00 0.00 C ATOM 11652 C4* C B 542 118.996 20.240 45.561 1.00 0.00 C ATOM 11653 O4* C B 542 117.947 19.806 46.476 1.00 0.00 O ATOM 11654 C3* C B 542 118.778 19.376 44.318 1.00 0.00 C ATOM 11655 O3* C B 542 119.948 19.261 43.568 1.00 0.00 O ATOM 11656 C2* C B 542 118.335 18.048 44.924 1.00 0.00 C ATOM 11657 O2* C B 542 119.442 17.346 45.465 1.00 0.00 O ATOM 11658 C1* C B 542 117.488 18.518 46.103 1.00 0.00 C ATOM 11659 N1 C B 542 116.036 18.618 45.792 1.00 0.00 N ATOM 11660 C2 C B 542 115.312 17.433 45.682 1.00 0.00 C ATOM 11661 O2 C B 542 115.897 16.358 45.845 1.00 0.00 O ATOM 11662 N3 C B 542 113.986 17.504 45.399 1.00 0.00 N ATOM 11663 C4 C B 542 113.383 18.688 45.231 1.00 0.00 C ATOM 11664 N4 C B 542 112.090 18.703 44.958 1.00 0.00 N ATOM 11665 C5 C B 542 114.109 19.917 45.343 1.00 0.00 C ATOM 11666 C6 C B 542 115.434 19.824 45.623 1.00 0.00 C ATOM 11667 P G B 543 119.829 19.157 41.941 1.00 0.00 P ATOM 11668 O1P G B 543 121.146 19.411 41.316 1.00 0.00 O ATOM 11669 O2P G B 543 118.718 20.015 41.475 1.00 0.00 O ATOM 11670 O5* G B 543 119.435 17.616 41.768 1.00 0.00 O ATOM 11671 C5* G B 543 120.339 16.605 42.243 1.00 0.00 C ATOM 11672 C4* G B 543 119.716 15.233 42.092 1.00 0.00 C ATOM 11673 O4* G B 543 118.589 15.125 43.010 1.00 0.00 O ATOM 11674 C3* G B 543 119.107 14.928 40.724 1.00 0.00 C ATOM 11675 O3* G B 543 120.068 14.471 39.823 1.00 0.00 O ATOM 11676 C2* G B 543 118.070 13.859 41.066 1.00 0.00 C ATOM 11677 O2* G B 543 118.693 12.608 41.292 1.00 0.00 O ATOM 11678 C1* G B 543 117.559 14.349 42.419 1.00 0.00 C ATOM 11679 N9 G B 543 116.341 15.199 42.327 1.00 0.00 N ATOM 11680 C8 G B 543 116.214 16.564 42.481 1.00 0.00 C ATOM 11681 N7 G B 543 114.990 17.005 42.332 1.00 0.00 N ATOM 11682 C5 G B 543 114.249 15.853 42.063 1.00 0.00 C ATOM 11683 C6 G B 543 112.863 15.697 41.812 1.00 0.00 C ATOM 11684 O6 G B 543 111.984 16.553 41.778 1.00 0.00 O ATOM 11685 N1 G B 543 112.535 14.352 41.585 1.00 0.00 N ATOM 11686 C2 G B 543 113.426 13.301 41.598 1.00 0.00 C ATOM 11687 N2 G B 543 112.914 12.091 41.355 1.00 0.00 N ATOM 11688 N3 G B 543 114.728 13.449 41.832 1.00 0.00 N ATOM 11689 C4 G B 543 115.067 14.746 42.055 1.00 0.00 C ATOM 11690 P C B 544 119.913 14.861 38.247 1.00 0.00 P ATOM 11691 O1P C B 544 121.187 14.616 37.530 1.00 0.00 O ATOM 11692 O2P C B 544 119.361 16.228 38.128 1.00 0.00 O ATOM 11693 O5* C B 544 118.816 13.791 37.781 1.00 0.00 O ATOM 11694 C5* C B 544 119.117 12.387 37.899 1.00 0.00 C ATOM 11695 C4* C B 544 117.900 11.565 37.522 1.00 0.00 C ATOM 11696 O4* C B 544 116.867 11.768 38.527 1.00 0.00 O ATOM 11697 C3* C B 544 117.218 11.948 36.211 1.00 0.00 C ATOM 11698 O3* C B 544 117.837 11.344 35.116 1.00 0.00 O ATOM 11699 C2* C B 544 115.792 11.448 36.431 1.00 0.00 C ATOM 11700 O2* C B 544 115.727 10.038 36.287 1.00 0.00 O ATOM 11701 C1* C B 544 115.587 11.751 37.910 1.00 0.00 C ATOM 11702 N1 C B 544 114.937 13.068 38.169 1.00 0.00 N ATOM 11703 C2 C B 544 113.575 13.179 37.905 1.00 0.00 C ATOM 11704 O2 C B 544 112.967 12.191 37.477 1.00 0.00 O ATOM 11705 N3 C B 544 112.962 14.368 38.132 1.00 0.00 N ATOM 11706 C4 C B 544 113.656 15.416 38.596 1.00 0.00 C ATOM 11707 N4 C B 544 113.013 16.555 38.802 1.00 0.00 N ATOM 11708 C5 C B 544 115.057 15.322 38.874 1.00 0.00 C ATOM 11709 C6 C B 544 115.650 14.123 38.640 1.00 0.00 C ATOM 11710 P U B 545 118.866 12.419 34.049 1.00 0.00 P ATOM 11711 O1P U B 545 119.743 11.616 33.166 1.00 0.00 O ATOM 11712 O2P U B 545 119.537 13.496 34.816 1.00 0.00 O ATOM 11713 O5* U B 545 117.399 13.031 33.163 1.00 0.00 O ATOM 11714 C5* U B 545 116.838 14.323 32.895 1.00 0.00 C ATOM 11715 C4* U B 545 115.854 14.421 31.609 1.00 0.00 C ATOM 11716 O4* U B 545 115.570 13.246 30.804 1.00 0.00 O ATOM 11717 C3* U B 545 114.509 15.152 31.681 1.00 0.00 C ATOM 11718 O3* U B 545 114.432 16.535 32.316 1.00 0.00 O ATOM 11719 C2* U B 545 113.927 14.883 30.299 1.00 0.00 C ATOM 11720 O2* U B 545 114.549 15.706 29.322 1.00 0.00 O ATOM 11721 C1* U B 545 114.398 13.456 30.034 1.00 0.00 C ATOM 11722 N1 U B 545 113.272 12.254 30.438 1.00 0.00 N ATOM 11723 C2 U B 545 112.095 12.234 29.730 1.00 0.00 C ATOM 11724 O2 U B 545 111.805 13.085 28.904 1.00 0.00 O ATOM 11725 N3 U B 545 111.245 11.184 30.013 1.00 0.00 N ATOM 11726 C4 U B 545 111.469 10.174 30.930 1.00 0.00 C ATOM 11727 O4 U B 545 110.632 9.289 31.102 1.00 0.00 O ATOM 11728 C5 U B 545 112.731 10.279 31.622 1.00 0.00 C ATOM 11729 C6 U B 545 113.574 11.289 31.362 1.00 0.00 C ATOM 11730 P U B 546 113.395 16.572 33.826 1.00 0.00 P ATOM 11731 O1P U B 546 113.443 15.280 34.544 1.00 0.00 O ATOM 11732 O2P U B 546 112.044 17.109 33.556 1.00 0.00 O ATOM 11733 O5* U B 546 114.458 17.825 34.610 1.00 0.00 O ATOM 11734 C5* U B 546 114.455 19.200 35.032 1.00 0.00 C ATOM 11735 C4* U B 546 113.820 20.214 33.928 1.00 0.00 C ATOM 11736 O4* U B 546 114.085 19.919 32.526 1.00 0.00 O ATOM 11737 C3* U B 546 112.360 20.673 33.942 1.00 0.00 C ATOM 11738 O3* U B 546 111.866 21.385 35.208 1.00 0.00 O ATOM 11739 C2* U B 546 112.254 21.436 32.625 1.00 0.00 C ATOM 11740 O2* U B 546 112.862 22.709 32.727 1.00 0.00 O ATOM 11741 C1* U B 546 113.139 20.593 31.707 1.00 0.00 C ATOM 11742 N1 U B 546 112.303 19.432 30.790 1.00 0.00 N ATOM 11743 C2 U B 546 111.329 19.893 29.939 1.00 0.00 C ATOM 11744 O2 U B 546 111.038 21.073 29.839 1.00 0.00 O ATOM 11745 N3 U B 546 110.694 18.924 29.189 1.00 0.00 N ATOM 11746 C4 U B 546 110.944 17.568 29.219 1.00 0.00 C ATOM 11747 O4 U B 546 110.307 16.796 28.497 1.00 0.00 O ATOM 11748 C5 U B 546 111.980 17.180 30.144 1.00 0.00 C ATOM 11749 C6 U B 546 112.619 18.102 30.885 1.00 0.00 C ATOM 11750 P A B 547 110.973 20.356 36.427 1.00 0.00 P ATOM 11751 O1P A B 547 111.864 19.865 37.505 1.00 0.00 O ATOM 11752 O2P A B 547 110.122 19.333 35.783 1.00 0.00 O ATOM 11753 O5* A B 547 110.011 21.800 36.971 1.00 0.00 O ATOM 11754 C5* A B 547 109.248 23.012 37.003 1.00 0.00 C ATOM 11755 C4* A B 547 108.203 23.148 35.766 1.00 0.00 C ATOM 11756 O4* A B 547 108.747 23.134 34.412 1.00 0.00 O ATOM 11757 C3* A B 547 106.943 22.289 35.661 1.00 0.00 C ATOM 11758 O3* A B 547 105.969 22.553 36.821 1.00 0.00 O ATOM 11759 C2* A B 547 106.424 22.643 34.269 1.00 0.00 C ATOM 11760 O2* A B 547 105.798 23.916 34.277 1.00 0.00 O ATOM 11761 C1* A B 547 107.728 22.794 33.487 1.00 0.00 C ATOM 11762 N9 A B 547 108.209 21.413 32.651 1.00 0.00 N ATOM 11763 C8 A B 547 109.397 20.728 32.744 1.00 0.00 C ATOM 11764 N7 A B 547 109.426 19.629 32.058 1.00 0.00 N ATOM 11765 C5 A B 547 108.171 19.572 31.464 1.00 0.00 C ATOM 11766 C6 A B 547 107.572 18.635 30.607 1.00 0.00 C ATOM 11767 N6 A B 547 108.191 17.529 30.174 1.00 0.00 N ATOM 11768 N1 A B 547 106.316 18.884 30.203 1.00 0.00 N ATOM 11769 C2 A B 547 105.707 19.987 30.639 1.00 0.00 C ATOM 11770 N3 A B 547 106.163 20.929 31.438 1.00 0.00 N ATOM 11771 C4 A B 547 107.427 20.657 31.825 1.00 0.00 C ATOM 11772 P G B 548 105.791 21.213 38.037 1.00 0.00 P ATOM 11773 O1P G B 548 105.436 21.736 39.377 1.00 0.00 O ATOM 11774 O2P G B 548 106.897 20.236 38.005 1.00 0.00 O ATOM 11775 O5* G B 548 104.337 20.666 37.111 1.00 0.00 O ATOM 11776 C5* G B 548 103.741 21.044 35.864 1.00 0.00 C ATOM 11777 C4* G B 548 103.488 19.768 34.904 1.00 0.00 C ATOM 11778 O4* G B 548 104.410 19.493 33.811 1.00 0.00 O ATOM 11779 C3* G B 548 103.159 18.381 35.462 1.00 0.00 C ATOM 11780 O3* G B 548 101.936 18.370 36.375 1.00 0.00 O ATOM 11781 C2* G B 548 103.137 17.522 34.202 1.00 0.00 C ATOM 11782 O2* G B 548 101.945 17.730 33.469 1.00 0.00 O ATOM 11783 C1* G B 548 104.273 18.146 33.391 1.00 0.00 C ATOM 11784 N9 G B 548 105.798 17.363 33.570 1.00 0.00 N ATOM 11785 C8 G B 548 106.939 17.812 34.202 1.00 0.00 C ATOM 11786 N7 G B 548 107.958 16.998 34.095 1.00 0.00 N ATOM 11787 C5 G B 548 107.462 15.935 33.344 1.00 0.00 C ATOM 11788 C6 G B 548 108.102 14.749 32.906 1.00 0.00 C ATOM 11789 O6 G B 548 109.261 14.381 33.093 1.00 0.00 O ATOM 11790 N1 G B 548 107.227 13.940 32.169 1.00 0.00 N ATOM 11791 C2 G B 548 105.906 14.235 31.891 1.00 0.00 C ATOM 11792 N2 G B 548 105.242 13.331 31.170 1.00 0.00 N ATOM 11793 N3 G B 548 105.309 15.351 32.305 1.00 0.00 N ATOM 11794 C4 G B 548 106.143 16.152 33.020 1.00 0.00 C ATOM 11795 P G B 549 102.211 18.228 38.173 1.00 0.00 P ATOM 11796 O1P G B 549 100.880 18.166 38.817 1.00 0.00 O ATOM 11797 O2P G B 549 103.196 19.133 38.810 1.00 0.00 O ATOM 11798 O5* G B 549 102.825 16.756 38.061 1.00 0.00 O ATOM 11799 C5* G B 549 102.068 15.734 37.388 1.00 0.00 C ATOM 11800 C4* G B 549 102.886 14.462 37.290 1.00 0.00 C ATOM 11801 O4* G B 549 104.002 14.693 36.382 1.00 0.00 O ATOM 11802 C3* G B 549 103.552 13.993 38.582 1.00 0.00 C ATOM 11803 O3* G B 549 102.679 13.245 39.366 1.00 0.00 O ATOM 11804 C2* G B 549 104.727 13.172 38.059 1.00 0.00 C ATOM 11805 O2* G B 549 104.288 11.905 37.593 1.00 0.00 O ATOM 11806 C1* G B 549 105.143 13.976 36.831 1.00 0.00 C ATOM 11807 N9 G B 549 106.227 14.959 37.097 1.00 0.00 N ATOM 11808 C8 G B 549 106.154 16.330 37.204 1.00 0.00 C ATOM 11809 N7 G B 549 107.305 16.910 37.452 1.00 0.00 N ATOM 11810 C5 G B 549 108.207 15.847 37.508 1.00 0.00 C ATOM 11811 C6 G B 549 109.603 15.845 37.746 1.00 0.00 C ATOM 11812 O6 G B 549 110.352 16.799 37.955 1.00 0.00 O ATOM 11813 N1 G B 549 110.127 14.545 37.719 1.00 0.00 N ATOM 11814 C2 G B 549 109.396 13.397 37.497 1.00 0.00 C ATOM 11815 N2 G B 549 110.079 12.250 37.514 1.00 0.00 N ATOM 11816 N3 G B 549 108.081 13.398 37.276 1.00 0.00 N ATOM 11817 C4 G B 549 107.558 14.651 37.296 1.00 0.00 C ATOM 11818 P C B 550 102.798 13.346 40.993 1.00 0.00 P ATOM 11819 O1P C B 550 101.583 12.792 41.630 1.00 0.00 O ATOM 11820 O2P C B 550 103.149 14.732 41.374 1.00 0.00 O ATOM 11821 O5* C B 550 104.043 12.378 41.263 1.00 0.00 O ATOM 11822 C5* C B 550 103.948 10.993 40.879 1.00 0.00 C ATOM 11823 C4* C B 550 105.276 10.300 41.109 1.00 0.00 C ATOM 11824 O4* C B 550 106.258 10.832 40.175 1.00 0.00 O ATOM 11825 C3* C B 550 105.912 10.522 42.481 1.00 0.00 C ATOM 11826 O3* C B 550 105.405 9.640 43.431 1.00 0.00 O ATOM 11827 C2* C B 550 107.391 10.281 42.188 1.00 0.00 C ATOM 11828 O2* C B 550 107.661 8.897 42.065 1.00 0.00 O ATOM 11829 C1* C B 550 107.531 10.886 40.794 1.00 0.00 C ATOM 11830 N1 C B 550 107.981 12.308 40.798 1.00 0.00 N ATOM 11831 C2 C B 550 109.318 12.563 41.097 1.00 0.00 C ATOM 11832 O2 C B 550 110.068 11.609 41.339 1.00 0.00 O ATOM 11833 N3 C B 550 109.748 13.848 41.106 1.00 0.00 N ATOM 11834 C4 C B 550 108.904 14.854 40.837 1.00 0.00 C ATOM 11835 N4 C B 550 109.374 16.091 40.860 1.00 0.00 N ATOM 11836 C5 C B 550 107.527 14.612 40.530 1.00 0.00 C ATOM 11837 C6 C B 550 107.114 13.318 40.524 1.00 0.00 C ATOM 11838 P G B 551 105.252 10.150 44.975 1.00 0.00 P ATOM 11839 O1P G B 551 104.377 9.231 45.735 1.00 0.00 O ATOM 11840 O2P G B 551 104.861 11.575 44.988 1.00 0.00 O ATOM 11841 O5* G B 551 106.763 10.001 45.488 1.00 0.00 O ATOM 11842 C5* G B 551 107.382 8.701 45.471 1.00 0.00 C ATOM 11843 C4* G B 551 108.837 8.813 45.878 1.00 0.00 C ATOM 11844 O4* G B 551 109.560 9.533 44.836 1.00 0.00 O ATOM 11845 C3* G B 551 109.117 9.621 47.145 1.00 0.00 C ATOM 11846 O3* G B 551 108.965 8.844 48.291 1.00 0.00 O ATOM 11847 C2* G B 551 110.557 10.075 46.925 1.00 0.00 C ATOM 11848 O2* G B 551 111.463 9.010 47.164 1.00 0.00 O ATOM 11849 C1* G B 551 110.570 10.338 45.422 1.00 0.00 C ATOM 11850 N9 G B 551 110.294 11.757 45.061 1.00 0.00 N ATOM 11851 C8 G B 551 109.153 12.313 44.523 1.00 0.00 C ATOM 11852 N7 G B 551 109.232 13.606 44.321 1.00 0.00 N ATOM 11853 C5 G B 551 110.518 13.930 44.759 1.00 0.00 C ATOM 11854 C6 G B 551 111.182 15.183 44.789 1.00 0.00 C ATOM 11855 O6 G B 551 110.771 16.283 44.434 1.00 0.00 O ATOM 11856 N1 G B 551 112.478 15.063 45.309 1.00 0.00 N ATOM 11857 C2 G B 551 113.055 13.883 45.745 1.00 0.00 C ATOM 11858 N2 G B 551 114.302 13.978 46.208 1.00 0.00 N ATOM 11859 N3 G B 551 112.431 12.708 45.713 1.00 0.00 N ATOM 11860 C4 G B 551 111.172 12.807 45.211 1.00 0.00 C ATOM 11861 P U B 552 108.402 9.546 49.649 1.00 0.00 P ATOM 11862 O1P U B 552 107.970 8.515 50.619 1.00 0.00 O ATOM 11863 O2P U B 552 107.384 10.560 49.293 1.00 0.00 O ATOM 11864 O5* U B 552 109.723 10.273 50.183 1.00 0.00 O ATOM 11865 C5* U B 552 110.876 9.475 50.507 1.00 0.00 C ATOM 11866 C4* U B 552 112.044 10.369 50.866 1.00 0.00 C ATOM 11867 O4* U B 552 112.467 11.096 49.676 1.00 0.00 O ATOM 11868 C3* U B 552 111.745 11.474 51.885 1.00 0.00 C ATOM 11869 O3* U B 552 111.838 11.002 53.193 1.00 0.00 O ATOM 11870 C2* U B 552 112.818 12.510 51.554 1.00 0.00 C ATOM 11871 O2* U B 552 114.081 12.106 52.061 1.00 0.00 O ATOM 11872 C1* U B 552 112.896 12.401 50.036 1.00 0.00 C ATOM 11873 N1 U B 552 112.032 13.381 49.319 1.00 0.00 N ATOM 11874 C2 U B 552 112.452 14.689 49.304 1.00 0.00 C ATOM 11875 O2 U B 552 113.482 15.063 49.841 1.00 0.00 O ATOM 11876 N3 U B 552 111.627 15.569 48.632 1.00 0.00 N ATOM 11877 C4 U B 552 110.444 15.257 47.992 1.00 0.00 C ATOM 11878 O4 U B 552 109.787 16.132 47.423 1.00 0.00 O ATOM 11879 C5 U B 552 110.085 13.861 48.065 1.00 0.00 C ATOM 11880 C6 U B 552 110.872 12.984 48.713 1.00 0.00 C ATOM 11881 P G B 553 110.842 11.627 54.322 1.00 0.00 P ATOM 11882 O1P G B 553 110.829 10.765 55.526 1.00 0.00 O ATOM 11883 O2P G B 553 109.519 11.904 53.717 1.00 0.00 O ATOM 11884 O5* G B 553 111.585 13.005 54.652 1.00 0.00 O ATOM 11885 C5* G B 553 112.929 12.966 55.170 1.00 0.00 C ATOM 11886 C4* G B 553 113.479 14.372 55.289 1.00 0.00 C ATOM 11887 O4* G B 553 113.656 14.922 53.952 1.00 0.00 O ATOM 11888 C3* G B 553 112.573 15.387 55.986 1.00 0.00 C ATOM 11889 O3* G B 553 112.708 15.328 57.373 1.00 0.00 O ATOM 11890 C2* G B 553 113.062 16.710 55.403 1.00 0.00 C ATOM 11891 O2* G B 553 114.288 17.098 55.995 1.00 0.00 O ATOM 11892 C1* G B 553 113.372 16.313 53.962 1.00 0.00 C ATOM 11893 N9 G B 553 112.245 16.559 53.018 1.00 0.00 N ATOM 11894 C8 G B 553 111.391 15.650 52.429 1.00 0.00 C ATOM 11895 N7 G B 553 110.499 16.198 51.640 1.00 0.00 N ATOM 11896 C5 G B 553 110.781 17.561 51.709 1.00 0.00 C ATOM 11897 C6 G B 553 110.152 18.658 51.068 1.00 0.00 C ATOM 11898 O6 G B 553 109.200 18.657 50.294 1.00 0.00 O ATOM 11899 N1 G B 553 110.761 19.871 51.420 1.00 0.00 N ATOM 11900 C2 G B 553 111.833 20.008 52.276 1.00 0.00 C ATOM 11901 N2 G B 553 112.266 21.254 52.483 1.00 0.00 N ATOM 11902 N3 G B 553 112.424 18.978 52.878 1.00 0.00 N ATOM 11903 C4 G B 553 111.846 17.791 52.549 1.00 0.00 C ATOM 11904 P U B 554 111.400 15.623 58.304 1.00 0.00 P ATOM 11905 O1P U B 554 111.642 15.162 59.688 1.00 0.00 O ATOM 11906 O2P U B 554 110.195 15.077 57.643 1.00 0.00 O ATOM 11907 O5* U B 554 111.360 17.223 58.265 1.00 0.00 O ATOM 11908 C5* U B 554 112.484 17.961 58.778 1.00 0.00 C ATOM 11909 C4* U B 554 112.285 19.444 58.528 1.00 0.00 C ATOM 11910 O4* U B 554 112.352 19.693 57.095 1.00 0.00 O ATOM 11911 C3* U B 554 110.930 20.011 58.941 1.00 0.00 C ATOM 11912 O3* U B 554 110.902 20.342 60.292 1.00 0.00 O ATOM 11913 C2* U B 554 110.807 21.235 58.035 1.00 0.00 C ATOM 11914 O2* U B 554 111.621 22.294 58.509 1.00 0.00 O ATOM 11915 C1* U B 554 111.446 20.728 56.746 1.00 0.00 C ATOM 11916 N1 U B 554 110.469 20.174 55.771 1.00 0.00 N ATOM 11917 C2 U B 554 109.684 21.071 55.091 1.00 0.00 C ATOM 11918 O2 U B 554 109.760 22.279 55.257 1.00 0.00 O ATOM 11919 N3 U B 554 108.788 20.521 54.195 1.00 0.00 N ATOM 11920 C4 U B 554 108.617 19.179 53.928 1.00 0.00 C ATOM 11921 O4 U B 554 107.782 18.803 53.104 1.00 0.00 O ATOM 11922 C5 U B 554 109.486 18.311 54.690 1.00 0.00 C ATOM 11923 C6 U B 554 110.367 18.823 55.569 1.00 0.00 C ATOM 11924 P G B 555 109.635 19.265 61.128 1.00 0.00 P ATOM 11925 O1P G B 555 110.213 18.506 62.256 1.00 0.00 O ATOM 11926 O2P G B 555 108.915 18.465 60.115 1.00 0.00 O ATOM 11927 O5* G B 555 108.538 20.618 61.696 1.00 0.00 O ATOM 11928 C5* G B 555 107.287 20.592 62.434 1.00 0.00 C ATOM 11929 C4* G B 555 105.916 20.474 61.540 1.00 0.00 C ATOM 11930 O4* G B 555 105.795 21.020 60.195 1.00 0.00 O ATOM 11931 C3* G B 555 104.473 20.295 62.000 1.00 0.00 C ATOM 11932 O3* G B 555 104.176 19.991 63.469 1.00 0.00 O ATOM 11933 C2* G B 555 103.781 21.504 61.368 1.00 0.00 C ATOM 11934 O2* G B 555 104.080 22.683 62.096 1.00 0.00 O ATOM 11935 C1* G B 555 104.511 21.606 60.031 1.00 0.00 C ATOM 11936 N9 G B 555 103.717 20.817 58.716 1.00 0.00 N ATOM 11937 C8 G B 555 103.750 19.487 58.349 1.00 0.00 C ATOM 11938 N7 G B 555 103.038 19.214 57.282 1.00 0.00 N ATOM 11939 C5 G B 555 102.493 20.449 56.925 1.00 0.00 C ATOM 11940 C6 G B 555 101.634 20.785 55.848 1.00 0.00 C ATOM 11941 O6 G B 555 101.166 20.054 54.976 1.00 0.00 O ATOM 11942 N1 G B 555 101.323 22.151 55.851 1.00 0.00 N ATOM 11943 C2 G B 555 101.786 23.073 56.775 1.00 0.00 C ATOM 11944 N2 G B 555 101.372 24.330 56.606 1.00 0.00 N ATOM 11945 N3 G B 555 102.593 22.752 57.782 1.00 0.00 N ATOM 11946 C4 G B 555 102.903 21.428 57.794 1.00 0.00 C ATOM 11947 P A B 556 103.280 18.419 63.770 1.00 0.00 P ATOM 11948 O1P A B 556 103.696 17.812 65.055 1.00 0.00 O ATOM 11949 O2P A B 556 103.317 17.523 62.592 1.00 0.00 O ATOM 11950 O5* A B 556 101.668 19.258 63.947 1.00 0.00 O ATOM 11951 C5* A B 556 100.398 19.473 64.605 1.00 0.00 C ATOM 11952 C4* A B 556 99.257 18.371 64.230 1.00 0.00 C ATOM 11953 O4* A B 556 99.681 17.293 63.350 1.00 0.00 O ATOM 11954 C3* A B 556 98.330 17.688 65.232 1.00 0.00 C ATOM 11955 O3* A B 556 97.258 18.636 65.847 1.00 0.00 O ATOM 11956 C2* A B 556 97.633 16.642 64.368 1.00 0.00 C ATOM 11957 O2* A B 556 96.633 17.245 63.556 1.00 0.00 O ATOM 11958 C1* A B 556 98.764 16.213 63.435 1.00 0.00 C ATOM 11959 N9 A B 556 99.609 14.834 63.938 1.00 0.00 N ATOM 11960 C8 A B 556 100.361 14.660 65.078 1.00 0.00 C ATOM 11961 N7 A B 556 101.016 13.539 65.111 1.00 0.00 N ATOM 11962 C5 A B 556 100.677 12.920 63.917 1.00 0.00 C ATOM 11963 C6 A B 556 101.047 11.688 63.352 1.00 0.00 C ATOM 11964 N6 A B 556 101.883 10.820 63.951 1.00 0.00 N ATOM 11965 N1 A B 556 100.533 11.378 62.152 1.00 0.00 N ATOM 11966 C2 A B 556 99.707 12.238 61.564 1.00 0.00 C ATOM 11967 N3 A B 556 99.290 13.414 61.991 1.00 0.00 N ATOM 11968 C4 A B 556 99.821 13.700 63.194 1.00 0.00 C ATOM 11969 P C B 557 97.191 19.346 67.520 1.00 0.00 P ATOM 11970 O1P C B 557 98.436 19.448 68.313 1.00 0.00 O ATOM 11971 O2P C B 557 96.003 18.850 68.248 1.00 0.00 O ATOM 11972 O5* C B 557 96.863 20.759 66.845 1.00 0.00 O ATOM 11973 C5* C B 557 97.657 21.905 67.202 1.00 0.00 C ATOM 11974 C4* C B 557 97.258 23.098 66.357 1.00 0.00 C ATOM 11975 O4* C B 557 97.647 22.847 64.975 1.00 0.00 O ATOM 11976 C3* C B 557 95.759 23.381 66.270 1.00 0.00 C ATOM 11977 O3* C B 557 95.317 24.135 67.356 1.00 0.00 O ATOM 11978 C2* C B 557 95.650 24.135 64.946 1.00 0.00 C ATOM 11979 O2* C B 557 96.097 25.472 65.090 1.00 0.00 O ATOM 11980 C1* C B 557 96.686 23.408 64.096 1.00 0.00 C ATOM 11981 N1 C B 557 96.119 22.307 63.269 1.00 0.00 N ATOM 11982 C2 C B 557 95.371 22.656 62.148 1.00 0.00 C ATOM 11983 O2 C B 557 95.213 23.854 61.886 1.00 0.00 O ATOM 11984 N3 C B 557 94.844 21.666 61.382 1.00 0.00 N ATOM 11985 C4 C B 557 95.038 20.380 61.701 1.00 0.00 C ATOM 11986 N4 C B 557 94.505 19.453 60.921 1.00 0.00 N ATOM 11987 C5 C B 557 95.804 19.999 62.849 1.00 0.00 C ATOM 11988 C6 C B 557 96.324 21.004 63.600 1.00 0.00 C ATOM 11989 P U B 558 93.812 23.880 67.931 1.00 0.00 P ATOM 11990 O1P U B 558 93.664 24.485 69.274 1.00 0.00 O ATOM 11991 O2P U B 558 93.491 22.437 67.839 1.00 0.00 O ATOM 11992 O5* U B 558 92.940 24.698 66.870 1.00 0.00 O ATOM 11993 C5* U B 558 93.157 26.113 66.727 1.00 0.00 C ATOM 11994 C4* U B 558 92.321 26.656 65.588 1.00 0.00 C ATOM 11995 O4* U B 558 92.828 26.116 64.332 1.00 0.00 O ATOM 11996 C3* U B 558 90.845 26.251 65.594 1.00 0.00 C ATOM 11997 O3* U B 558 90.089 27.090 66.409 1.00 0.00 O ATOM 11998 C2* U B 558 90.473 26.376 64.116 1.00 0.00 C ATOM 11999 O2* U B 558 90.308 27.737 63.753 1.00 0.00 O ATOM 12000 C1* U B 558 91.753 25.889 63.438 1.00 0.00 C ATOM 12001 N1 U B 558 91.733 24.441 63.099 1.00 0.00 N ATOM 12002 C2 U B 558 90.955 24.053 62.034 1.00 0.00 C ATOM 12003 O2 U B 558 90.295 24.840 61.377 1.00 0.00 O ATOM 12004 N3 U B 558 90.962 22.701 61.753 1.00 0.00 N ATOM 12005 C4 U B 558 91.669 21.726 62.428 1.00 0.00 C ATOM 12006 O4 U B 558 91.598 20.546 62.080 1.00 0.00 O ATOM 12007 C5 U B 558 92.454 22.227 63.529 1.00 0.00 C ATOM 12008 C6 U B 558 92.465 23.539 63.827 1.00 0.00 C ATOM 12009 P G B 559 88.815 26.458 67.214 1.00 0.00 P ATOM 12010 O1P G B 559 88.378 27.381 68.287 1.00 0.00 O ATOM 12011 O2P G B 559 89.140 25.079 67.645 1.00 0.00 O ATOM 12012 O5* G B 559 87.717 26.417 66.053 1.00 0.00 O ATOM 12013 C5* G B 559 87.317 27.649 65.425 1.00 0.00 C ATOM 12014 C4* G B 559 86.371 27.364 64.279 1.00 0.00 C ATOM 12015 O4* G B 559 87.101 26.678 63.222 1.00 0.00 O ATOM 12016 C3* G B 559 85.208 26.421 64.593 1.00 0.00 C ATOM 12017 O3* G B 559 84.137 27.104 65.171 1.00 0.00 O ATOM 12018 C2* G B 559 84.872 25.856 63.215 1.00 0.00 C ATOM 12019 O2* G B 559 84.156 26.806 62.445 1.00 0.00 O ATOM 12020 C1* G B 559 86.256 25.730 62.590 1.00 0.00 C ATOM 12021 N9 G B 559 86.868 24.382 62.757 1.00 0.00 N ATOM 12022 C8 G B 559 87.888 23.987 63.592 1.00 0.00 C ATOM 12023 N7 G B 559 88.192 22.716 63.497 1.00 0.00 N ATOM 12024 C5 G B 559 87.311 22.233 62.530 1.00 0.00 C ATOM 12025 C6 G B 559 87.163 20.927 62.001 1.00 0.00 C ATOM 12026 O6 G B 559 87.787 19.904 62.279 1.00 0.00 O ATOM 12027 N1 G B 559 86.146 20.877 61.038 1.00 0.00 N ATOM 12028 C2 G B 559 85.373 21.952 60.639 1.00 0.00 C ATOM 12029 N2 G B 559 84.454 21.697 59.706 1.00 0.00 N ATOM 12030 N3 G B 559 85.515 23.178 61.136 1.00 0.00 N ATOM 12031 C4 G B 559 86.498 23.242 62.074 1.00 0.00 C ATOM 12032 P C B 560 83.226 26.336 66.286 1.00 0.00 P ATOM 12033 O1P C B 560 82.401 27.312 67.032 1.00 0.00 O ATOM 12034 O2P C B 560 84.089 25.460 67.109 1.00 0.00 O ATOM 12035 O5* C B 560 82.290 25.445 65.344 1.00 0.00 O ATOM 12036 C5* C B 560 81.429 26.100 64.394 1.00 0.00 C ATOM 12037 C4* C B 560 80.732 25.068 63.530 1.00 0.00 C ATOM 12038 O4* C B 560 81.720 24.416 62.683 1.00 0.00 O ATOM 12039 C3* C B 560 80.068 23.909 64.277 1.00 0.00 C ATOM 12040 O3* C B 560 78.792 24.251 64.719 1.00 0.00 O ATOM 12041 C2* C B 560 80.050 22.811 63.216 1.00 0.00 C ATOM 12042 O2* C B 560 79.027 23.048 62.266 1.00 0.00 O ATOM 12043 C1* C B 560 81.379 23.049 62.507 1.00 0.00 C ATOM 12044 N1 C B 560 82.499 22.223 63.039 1.00 0.00 N ATOM 12045 C2 C B 560 82.515 20.868 62.717 1.00 0.00 C ATOM 12046 O2 C B 560 81.609 20.412 62.011 1.00 0.00 O ATOM 12047 N3 C B 560 83.528 20.097 63.192 1.00 0.00 N ATOM 12048 C4 C B 560 84.490 20.632 63.955 1.00 0.00 C ATOM 12049 N4 C B 560 85.456 19.837 64.394 1.00 0.00 N ATOM 12050 C5 C B 560 84.492 22.022 64.297 1.00 0.00 C ATOM 12051 C6 C B 560 83.473 22.774 63.813 1.00 0.00 C ATOM 12052 P G B 561 77.415 23.527 65.680 1.00 0.00 P ATOM 12053 O1P G B 561 76.138 24.101 65.195 1.00 0.00 O ATOM 12054 O2P G B 561 77.633 23.573 67.144 1.00 0.00 O ATOM 12055 O5* G B 561 77.670 21.917 64.914 1.00 0.00 O ATOM 12056 C5* G B 561 77.617 21.670 63.504 1.00 0.00 C ATOM 12057 C4* G B 561 78.347 20.236 63.234 1.00 0.00 C ATOM 12058 O4* G B 561 78.621 19.597 64.512 1.00 0.00 O ATOM 12059 C3* G B 561 77.583 19.176 62.445 1.00 0.00 C ATOM 12060 O3* G B 561 77.173 19.458 61.007 1.00 0.00 O ATOM 12061 C2* G B 561 78.258 17.885 62.903 1.00 0.00 C ATOM 12062 O2* G B 561 79.520 17.732 62.276 1.00 0.00 O ATOM 12063 C1* G B 561 78.532 18.184 64.375 1.00 0.00 C ATOM 12064 N9 G B 561 77.340 17.615 65.448 1.00 0.00 N ATOM 12065 C8 G B 561 76.415 18.328 66.182 1.00 0.00 C ATOM 12066 N7 G B 561 75.712 17.595 67.016 1.00 0.00 N ATOM 12067 C5 G B 561 76.204 16.303 66.814 1.00 0.00 C ATOM 12068 C6 G B 561 75.839 15.080 67.430 1.00 0.00 C ATOM 12069 O6 G B 561 74.982 14.877 68.295 1.00 0.00 O ATOM 12070 N1 G B 561 76.588 14.010 66.931 1.00 0.00 N ATOM 12071 C2 G B 561 77.572 14.107 65.965 1.00 0.00 C ATOM 12072 N2 G B 561 78.175 12.966 65.624 1.00 0.00 N ATOM 12073 N3 G B 561 77.915 15.260 65.389 1.00 0.00 N ATOM 12074 C4 G B 561 77.191 16.309 65.861 1.00 0.00 C ATOM 12075 P U B 562 78.415 19.426 59.674 1.00 0.00 P ATOM 12076 O1P U B 562 79.320 18.258 59.755 1.00 0.00 O ATOM 12077 O2P U B 562 79.064 20.735 59.450 1.00 0.00 O ATOM 12078 O5* U B 562 77.049 19.153 58.513 1.00 0.00 O ATOM 12079 C5* U B 562 76.609 18.366 57.415 1.00 0.00 C ATOM 12080 C4* U B 562 75.770 17.034 57.815 1.00 0.00 C ATOM 12081 O4* U B 562 75.398 16.807 59.205 1.00 0.00 O ATOM 12082 C3* U B 562 74.529 16.632 57.022 1.00 0.00 C ATOM 12083 O3* U B 562 74.648 16.487 55.493 1.00 0.00 O ATOM 12084 C2* U B 562 73.998 15.452 57.836 1.00 0.00 C ATOM 12085 O2* U B 562 74.780 14.285 57.596 1.00 0.00 O ATOM 12086 C1* U B 562 74.308 15.896 59.260 1.00 0.00 C ATOM 12087 N1 U B 562 73.015 16.655 60.064 1.00 0.00 N ATOM 12088 C2 U B 562 72.000 15.849 60.510 1.00 0.00 C ATOM 12089 O2 U B 562 71.964 14.647 60.302 1.00 0.00 O ATOM 12090 N3 U B 562 71.005 16.489 61.224 1.00 0.00 N ATOM 12091 C4 U B 562 70.948 17.834 61.519 1.00 0.00 C ATOM 12092 O4 U B 562 70.004 18.295 62.165 1.00 0.00 O ATOM 12093 C5 U B 562 72.057 18.598 61.004 1.00 0.00 C ATOM 12094 C6 U B 562 73.033 18.004 60.302 1.00 0.00 C ATOM 12095 P A B 563 76.275 16.171 54.707 1.00 0.00 P ATOM 12096 O1P A B 563 77.293 15.669 55.653 1.00 0.00 O ATOM 12097 O2P A B 563 76.699 17.305 53.851 1.00 0.00 O ATOM 12098 O5* A B 563 75.568 14.809 53.729 1.00 0.00 O ATOM 12099 C5* A B 563 74.349 14.078 53.857 1.00 0.00 C ATOM 12100 C4* A B 563 74.392 12.540 53.324 1.00 0.00 C ATOM 12101 O4* A B 563 73.099 11.868 53.315 1.00 0.00 O ATOM 12102 C3* A B 563 75.043 12.101 52.013 1.00 0.00 C ATOM 12103 O3* A B 563 75.505 13.011 50.863 1.00 0.00 O ATOM 12104 C2* A B 563 74.562 10.651 51.890 1.00 0.00 C ATOM 12105 O2* A B 563 75.282 9.805 52.764 1.00 0.00 O ATOM 12106 C1* A B 563 73.142 10.758 52.435 1.00 0.00 C ATOM 12107 N9 A B 563 71.960 10.966 51.268 1.00 0.00 N ATOM 12108 C8 A B 563 71.076 12.017 51.121 1.00 0.00 C ATOM 12109 N7 A B 563 70.397 11.983 50.013 1.00 0.00 N ATOM 12110 C5 A B 563 70.857 10.837 49.377 1.00 0.00 C ATOM 12111 C6 A B 563 70.526 10.239 48.152 1.00 0.00 C ATOM 12112 N6 A B 563 69.613 10.742 47.308 1.00 0.00 N ATOM 12113 N1 A B 563 71.170 9.107 47.821 1.00 0.00 N ATOM 12114 C2 A B 563 72.076 8.612 48.662 1.00 0.00 C ATOM 12115 N3 A B 563 72.468 9.080 49.829 1.00 0.00 N ATOM 12116 C4 A B 563 71.807 10.215 50.135 1.00 0.00 C ATOM 12117 P C B 564 74.956 12.789 49.104 1.00 0.00 P ATOM 12118 O1P C B 564 76.057 13.321 48.267 1.00 0.00 O ATOM 12119 O2P C B 564 73.618 13.359 48.847 1.00 0.00 O ATOM 12120 O5* C B 564 74.902 10.950 48.960 1.00 0.00 O ATOM 12121 C5* C B 564 74.646 9.831 48.036 1.00 0.00 C ATOM 12122 C4* C B 564 75.506 9.838 46.636 1.00 0.00 C ATOM 12123 O4* C B 564 76.662 10.721 46.539 1.00 0.00 O ATOM 12124 C3* C B 564 75.226 9.442 45.181 1.00 0.00 C ATOM 12125 O3* C B 564 75.191 8.031 44.427 1.00 0.00 O ATOM 12126 C2* C B 564 75.569 10.725 44.428 1.00 0.00 C ATOM 12127 O2* C B 564 74.534 11.682 44.576 1.00 0.00 O ATOM 12128 C1* C B 564 76.765 11.236 45.223 1.00 0.00 C ATOM 12129 N1 C B 564 78.262 10.794 44.597 1.00 0.00 N ATOM 12130 C2 C B 564 78.313 10.380 43.269 1.00 0.00 C ATOM 12131 O2 C B 564 77.274 10.406 42.596 1.00 0.00 O ATOM 12132 N3 C B 564 79.500 9.965 42.761 1.00 0.00 N ATOM 12133 C4 C B 564 80.604 9.959 43.522 1.00 0.00 C ATOM 12134 N4 C B 564 81.737 9.545 42.975 1.00 0.00 N ATOM 12135 C5 C B 564 80.571 10.381 44.889 1.00 0.00 C ATOM 12136 C6 C B 564 79.374 10.787 45.379 1.00 0.00 C ATOM 12137 P C B 565 76.655 6.873 44.219 1.00 0.00 P ATOM 12138 O1P C B 565 76.593 5.872 45.310 1.00 0.00 O ATOM 12139 O2P C B 565 77.911 7.647 44.123 1.00 0.00 O ATOM 12140 O5* C B 565 76.425 6.010 42.568 1.00 0.00 O ATOM 12141 C5* C B 565 76.811 5.303 41.290 1.00 0.00 C ATOM 12142 C4* C B 565 76.589 3.656 41.140 1.00 0.00 C ATOM 12143 O4* C B 565 76.254 3.108 42.447 1.00 0.00 O ATOM 12144 C3* C B 565 75.776 2.810 40.164 1.00 0.00 C ATOM 12145 O3* C B 565 75.305 2.975 38.659 1.00 0.00 O ATOM 12146 C2* C B 565 75.826 1.429 40.817 1.00 0.00 C ATOM 12147 O2* C B 565 77.088 0.820 40.602 1.00 0.00 O ATOM 12148 C1* C B 565 75.752 1.787 42.298 1.00 0.00 C ATOM 12149 N1 C B 565 74.181 1.730 42.967 1.00 0.00 N ATOM 12150 C2 C B 565 73.709 0.500 43.405 1.00 0.00 C ATOM 12151 O2 C B 565 74.442 -0.496 43.295 1.00 0.00 O ATOM 12152 N3 C B 565 72.463 0.431 43.944 1.00 0.00 N ATOM 12153 C4 C B 565 71.706 1.527 44.051 1.00 0.00 C ATOM 12154 N4 C B 565 70.495 1.414 44.583 1.00 0.00 N ATOM 12155 C5 C B 565 72.174 2.805 43.601 1.00 0.00 C ATOM 12156 C6 C B 565 73.421 2.855 43.069 1.00 0.00 C ATOM 12157 P U B 566 75.562 1.530 37.458 1.00 0.00 P ATOM 12158 O1P U B 566 75.547 0.266 38.229 1.00 0.00 O ATOM 12159 O2P U B 566 76.818 1.836 36.743 1.00 0.00 O ATOM 12160 O5* U B 566 74.165 1.328 36.193 1.00 0.00 O ATOM 12161 C5* U B 566 73.661 0.715 34.876 1.00 0.00 C ATOM 12162 C4* U B 566 72.634 -0.634 34.758 1.00 0.00 C ATOM 12163 O4* U B 566 72.256 -0.931 36.131 1.00 0.00 O ATOM 12164 C3* U B 566 71.322 -0.727 33.980 1.00 0.00 C ATOM 12165 O3* U B 566 71.076 -1.024 32.480 1.00 0.00 O ATOM 12166 C2* U B 566 70.609 -1.872 34.689 1.00 0.00 C ATOM 12167 O2* U B 566 71.158 -3.122 34.311 1.00 0.00 O ATOM 12168 C1* U B 566 71.018 -1.634 36.144 1.00 0.00 C ATOM 12169 N1 U B 566 69.920 -0.749 37.041 1.00 0.00 N ATOM 12170 C2 U B 566 68.666 -0.592 36.510 1.00 0.00 C ATOM 12171 O2 U B 566 68.310 -1.138 35.475 1.00 0.00 O ATOM 12172 N3 U B 566 67.817 0.235 37.221 1.00 0.00 N ATOM 12173 C4 U B 566 68.112 0.900 38.393 1.00 0.00 C ATOM 12174 O4 U B 566 67.271 1.611 38.943 1.00 0.00 O ATOM 12175 C5 U B 566 69.454 0.675 38.871 1.00 0.00 C ATOM 12176 C6 U B 566 70.302 -0.123 38.197 1.00 0.00 C ATOM 12177 P U B 567 69.305 -1.150 31.822 1.00 0.00 P ATOM 12178 O1P U B 567 69.413 -1.722 30.459 1.00 0.00 O ATOM 12179 O2P U B 567 68.669 0.188 31.912 1.00 0.00 O ATOM 12180 O5* U B 567 68.289 -2.389 32.805 1.00 0.00 O ATOM 12181 C5* U B 567 67.271 -3.451 33.126 1.00 0.00 C ATOM 12182 C4* U B 567 65.725 -3.634 32.479 1.00 0.00 C ATOM 12183 O4* U B 567 65.033 -2.597 31.730 1.00 0.00 O ATOM 12184 C3* U B 567 64.612 -4.612 32.867 1.00 0.00 C ATOM 12185 O3* U B 567 64.243 -5.914 31.960 1.00 0.00 O ATOM 12186 C2* U B 567 63.434 -3.676 33.115 1.00 0.00 C ATOM 12187 O2* U B 567 63.569 -3.028 34.369 1.00 0.00 O ATOM 12188 C1* U B 567 63.651 -2.613 32.042 1.00 0.00 C ATOM 12189 N1 U B 567 62.785 -2.870 30.610 1.00 0.00 N ATOM 12190 C2 U B 567 61.416 -2.772 30.685 1.00 0.00 C ATOM 12191 O2 U B 567 60.828 -2.415 31.693 1.00 0.00 O ATOM 12192 N3 U B 567 60.734 -3.096 29.529 1.00 0.00 N ATOM 12193 C4 U B 567 61.293 -3.510 28.336 1.00 0.00 C ATOM 12194 O4 U B 567 60.577 -3.774 27.369 1.00 0.00 O ATOM 12195 C5 U B 567 62.734 -3.579 28.358 1.00 0.00 C ATOM 12196 C6 U B 567 63.427 -3.262 29.463 1.00 0.00 C ATOM 12197 P U B 568 62.671 -6.917 32.175 1.00 0.00 P ATOM 12198 O1P U B 568 62.231 -6.772 33.581 1.00 0.00 O ATOM 12199 O2P U B 568 62.923 -8.301 31.715 1.00 0.00 O ATOM 12200 O5* U B 568 61.396 -6.189 30.992 1.00 0.00 O ATOM 12201 C5* U B 568 60.447 -6.443 29.825 1.00 0.00 C ATOM 12202 C4* U B 568 58.871 -5.842 29.605 1.00 0.00 C ATOM 12203 O4* U B 568 58.243 -5.079 30.677 1.00 0.00 O ATOM 12204 C3* U B 568 57.691 -6.351 28.777 1.00 0.00 C ATOM 12205 O3* U B 568 57.064 -6.019 27.335 1.00 0.00 O ATOM 12206 C2* U B 568 56.642 -6.634 29.851 1.00 0.00 C ATOM 12207 O2* U B 568 56.940 -7.833 30.545 1.00 0.00 O ATOM 12208 C1* U B 568 56.895 -5.488 30.830 1.00 0.00 C ATOM 12209 N1 U B 568 55.879 -4.110 30.601 1.00 0.00 N ATOM 12210 C2 U B 568 54.526 -4.302 30.739 1.00 0.00 C ATOM 12211 O2 U B 568 54.027 -5.400 30.931 1.00 0.00 O ATOM 12212 N3 U B 568 53.749 -3.161 30.644 1.00 0.00 N ATOM 12213 C4 U B 568 54.207 -1.877 30.424 1.00 0.00 C ATOM 12214 O4 U B 568 53.419 -0.933 30.360 1.00 0.00 O ATOM 12215 C5 U B 568 55.642 -1.778 30.299 1.00 0.00 C ATOM 12216 C6 U B 568 56.418 -2.870 30.384 1.00 0.00 C ATOM 12217 P U B 569 55.373 -5.184 27.201 1.00 0.00 P ATOM 12218 O1P U B 569 55.500 -3.983 26.356 1.00 0.00 O ATOM 12219 O2P U B 569 54.857 -4.962 28.569 1.00 0.00 O ATOM 12220 O5* U B 569 54.073 -6.410 26.624 1.00 0.00 O ATOM 12221 C5* U B 569 52.574 -6.522 26.616 1.00 0.00 C ATOM 12222 C4* U B 569 51.669 -6.011 27.906 1.00 0.00 C ATOM 12223 O4* U B 569 52.076 -4.790 28.580 1.00 0.00 O ATOM 12224 C3* U B 569 50.182 -6.153 28.253 1.00 0.00 C ATOM 12225 O3* U B 569 48.993 -6.953 27.703 1.00 0.00 O ATOM 12226 C2* U B 569 50.145 -5.618 29.685 1.00 0.00 C ATOM 12227 O2* U B 569 50.656 -6.581 30.594 1.00 0.00 O ATOM 12228 C1* U B 569 51.167 -4.486 29.623 1.00 0.00 C ATOM 12229 N1 U B 569 50.508 -2.958 29.325 1.00 0.00 N ATOM 12230 C2 U B 569 49.416 -2.590 30.072 1.00 0.00 C ATOM 12231 O2 U B 569 48.887 -3.346 30.879 1.00 0.00 O ATOM 12232 N3 U B 569 48.948 -1.314 29.861 1.00 0.00 N ATOM 12233 C4 U B 569 49.469 -0.388 28.980 1.00 0.00 C ATOM 12234 O4 U B 569 48.962 0.731 28.875 1.00 0.00 O ATOM 12235 C5 U B 569 50.611 -0.860 28.235 1.00 0.00 C ATOM 12236 C6 U B 569 51.089 -2.103 28.426 1.00 0.00 C ATOM 12237 P G B 570 47.696 -7.572 28.901 1.00 0.00 P ATOM 12238 O1P G B 570 48.187 -7.627 30.292 1.00 0.00 O ATOM 12239 O2P G B 570 47.205 -8.850 28.341 1.00 0.00 O ATOM 12240 O5* G B 570 46.334 -6.288 28.748 1.00 0.00 O ATOM 12241 C5* G B 570 45.032 -5.808 28.104 1.00 0.00 C ATOM 12242 C4* G B 570 45.183 -6.260 26.530 1.00 0.00 C ATOM 12243 O4* G B 570 46.076 -7.390 26.764 1.00 0.00 O ATOM 12244 C3* G B 570 44.496 -6.605 25.208 1.00 0.00 C ATOM 12245 O3* G B 570 43.027 -6.422 24.481 1.00 0.00 O ATOM 12246 C2* G B 570 45.617 -7.299 24.439 1.00 0.00 C ATOM 12247 O2* G B 570 46.544 -6.353 23.937 1.00 0.00 O ATOM 12248 C1* G B 570 46.324 -8.066 25.548 1.00 0.00 C ATOM 12249 N9 G B 570 45.814 -9.710 25.726 1.00 0.00 N ATOM 12250 C8 G B 570 45.450 -10.385 26.868 1.00 0.00 C ATOM 12251 N7 G B 570 44.973 -11.590 26.647 1.00 0.00 N ATOM 12252 C5 G B 570 45.029 -11.718 25.260 1.00 0.00 C ATOM 12253 C6 G B 570 44.648 -12.795 24.424 1.00 0.00 C ATOM 12254 O6 G B 570 44.177 -13.888 24.744 1.00 0.00 O ATOM 12255 N1 G B 570 44.870 -12.503 23.075 1.00 0.00 N ATOM 12256 C2 G B 570 45.392 -11.321 22.589 1.00 0.00 C ATOM 12257 N2 G B 570 45.525 -11.233 21.264 1.00 0.00 N ATOM 12258 N3 G B 570 45.745 -10.300 23.373 1.00 0.00 N ATOM 12259 C4 G B 570 45.540 -10.574 24.691 1.00 0.00 C ATOM 12260 P U B 571 42.497 -7.266 22.826 1.00 0.00 P ATOM 12261 O1P U B 571 42.984 -8.659 22.927 1.00 0.00 O ATOM 12262 O2P U B 571 42.998 -6.496 21.667 1.00 0.00 O ATOM 12263 O5* U B 571 40.614 -7.563 22.625 1.00 0.00 O ATOM 12264 C5* U B 571 39.822 -8.514 21.695 1.00 0.00 C ATOM 12265 C4* U B 571 38.348 -9.358 21.811 1.00 0.00 C ATOM 12266 O4* U B 571 38.226 -10.774 21.482 1.00 0.00 O ATOM 12267 C3* U B 571 37.124 -9.083 22.685 1.00 0.00 C ATOM 12268 O3* U B 571 36.920 -8.094 23.806 1.00 0.00 O ATOM 12269 C2* U B 571 36.066 -9.976 22.045 1.00 0.00 C ATOM 12270 O2* U B 571 35.582 -9.398 20.847 1.00 0.00 O ATOM 12271 C1* U B 571 36.887 -11.197 21.657 1.00 0.00 C ATOM 12272 N1 U B 571 36.869 -12.457 22.804 1.00 0.00 N ATOM 12273 C2 U B 571 36.532 -13.708 22.351 1.00 0.00 C ATOM 12274 O2 U B 571 36.186 -13.924 21.204 1.00 0.00 O ATOM 12275 N3 U B 571 36.615 -14.718 23.291 1.00 0.00 N ATOM 12276 C4 U B 571 36.992 -14.585 24.608 1.00 0.00 C ATOM 12277 O4 U B 571 37.025 -15.570 25.352 1.00 0.00 O ATOM 12278 C5 U B 571 37.324 -13.235 24.989 1.00 0.00 C ATOM 12279 C6 U B 571 37.253 -12.232 24.103 1.00 0.00 C ATOM 12280 P A B 572 37.969 -8.598 25.195 1.00 0.00 P ATOM 12281 O1P A B 572 38.168 -10.063 25.186 1.00 0.00 O ATOM 12282 O2P A B 572 37.626 -8.005 26.504 1.00 0.00 O ATOM 12283 O5* A B 572 39.295 -7.586 24.446 1.00 0.00 O ATOM 12284 C5* A B 572 40.389 -7.002 25.238 1.00 0.00 C ATOM 12285 C4* A B 572 40.754 -8.294 26.113 1.00 0.00 C ATOM 12286 O4* A B 572 41.453 -8.611 27.352 1.00 0.00 O ATOM 12287 C3* A B 572 41.095 -9.466 25.190 1.00 0.00 C ATOM 12288 O3* A B 572 40.573 -9.723 23.827 1.00 0.00 O ATOM 12289 C2* A B 572 42.534 -9.779 25.590 1.00 0.00 C ATOM 12290 O2* A B 572 43.427 -8.829 25.040 1.00 0.00 O ATOM 12291 C1* A B 572 42.496 -9.536 27.096 1.00 0.00 C ATOM 12292 N9 A B 572 42.229 -10.874 27.993 1.00 0.00 N ATOM 12293 C8 A B 572 41.079 -11.623 28.096 1.00 0.00 C ATOM 12294 N7 A B 572 41.135 -12.560 28.991 1.00 0.00 N ATOM 12295 C5 A B 572 42.405 -12.428 29.530 1.00 0.00 C ATOM 12296 C6 A B 572 43.088 -13.132 30.538 1.00 0.00 C ATOM 12297 N6 A B 572 42.549 -14.155 31.215 1.00 0.00 N ATOM 12298 N1 A B 572 44.342 -12.740 30.827 1.00 0.00 N ATOM 12299 C2 A B 572 44.868 -11.722 30.152 1.00 0.00 C ATOM 12300 N3 A B 572 44.332 -10.995 29.199 1.00 0.00 N ATOM 12301 C4 A B 572 43.078 -11.405 28.928 1.00 0.00 C ATOM 12302 P U B 573 40.654 -11.525 23.648 1.00 0.00 P ATOM 12303 O1P U B 573 39.554 -12.040 22.797 1.00 0.00 O ATOM 12304 O2P U B 573 40.839 -12.218 24.945 1.00 0.00 O ATOM 12305 O5* U B 573 42.090 -11.295 22.552 1.00 0.00 O ATOM 12306 C5* U B 573 42.272 -11.394 21.102 1.00 0.00 C ATOM 12307 C4* U B 573 41.639 -12.834 20.511 1.00 0.00 C ATOM 12308 O4* U B 573 40.565 -13.293 21.382 1.00 0.00 O ATOM 12309 C3* U B 573 42.259 -14.127 19.978 1.00 0.00 C ATOM 12310 O3* U B 573 42.078 -14.598 18.413 1.00 0.00 O ATOM 12311 C2* U B 573 42.153 -15.054 21.190 1.00 0.00 C ATOM 12312 O2* U B 573 43.141 -14.737 22.157 1.00 0.00 O ATOM 12313 C1* U B 573 40.808 -14.637 21.777 1.00 0.00 C ATOM 12314 N1 U B 573 39.501 -15.581 21.282 1.00 0.00 N ATOM 12315 C2 U B 573 39.276 -16.748 21.979 1.00 0.00 C ATOM 12316 O2 U B 573 40.017 -17.146 22.857 1.00 0.00 O ATOM 12317 N3 U B 573 38.139 -17.439 21.616 1.00 0.00 N ATOM 12318 C4 U B 573 37.235 -17.076 20.634 1.00 0.00 C ATOM 12319 O4 U B 573 36.250 -17.783 20.399 1.00 0.00 O ATOM 12320 C5 U B 573 37.561 -15.842 19.963 1.00 0.00 C ATOM 12321 C6 U B 573 38.658 -15.146 20.297 1.00 0.00 C ATOM 12322 P A B 574 42.986 -14.914 16.728 1.00 0.00 P ATOM 12323 O1P A B 574 42.119 -14.192 15.760 1.00 0.00 O ATOM 12324 O2P A B 574 43.086 -16.372 16.523 1.00 0.00 O ATOM 12325 O5* A B 574 44.735 -14.183 16.462 1.00 0.00 O ATOM 12326 C5* A B 574 46.174 -14.317 16.836 1.00 0.00 C ATOM 12327 C4* A B 574 47.657 -13.589 16.599 1.00 0.00 C ATOM 12328 O4* A B 574 48.025 -12.261 16.112 1.00 0.00 O ATOM 12329 C3* A B 574 48.736 -14.503 16.026 1.00 0.00 C ATOM 12330 O3* A B 574 48.522 -16.031 16.077 1.00 0.00 O ATOM 12331 C2* A B 574 49.009 -13.868 14.664 1.00 0.00 C ATOM 12332 O2* A B 574 47.976 -14.185 13.748 1.00 0.00 O ATOM 12333 C1* A B 574 48.876 -12.382 14.986 1.00 0.00 C ATOM 12334 N9 A B 574 50.398 -11.570 15.350 1.00 0.00 N ATOM 12335 C8 A B 574 51.237 -11.772 16.421 1.00 0.00 C ATOM 12336 N7 A B 574 52.372 -11.147 16.326 1.00 0.00 N ATOM 12337 C5 A B 574 52.287 -10.478 15.112 1.00 0.00 C ATOM 12338 C6 A B 574 53.177 -9.635 14.433 1.00 0.00 C ATOM 12339 N6 A B 574 54.389 -9.301 14.910 1.00 0.00 N ATOM 12340 N1 A B 574 52.784 -9.139 13.246 1.00 0.00 N ATOM 12341 C2 A B 574 51.577 -9.476 12.782 1.00 0.00 C ATOM 12342 N3 A B 574 50.665 -10.253 13.323 1.00 0.00 N ATOM 12343 C4 A B 574 51.086 -10.733 14.511 1.00 0.00 C ATOM 12344 P A B 575 48.374 -17.021 14.534 1.00 0.00 P ATOM 12345 O1P A B 575 49.622 -17.007 13.732 1.00 0.00 O ATOM 12346 O2P A B 575 47.128 -16.726 13.795 1.00 0.00 O ATOM 12347 O5* A B 575 48.178 -18.565 15.477 1.00 0.00 O ATOM 12348 C5* A B 575 48.376 -19.561 16.480 1.00 0.00 C ATOM 12349 C4* A B 575 49.300 -18.991 17.660 1.00 0.00 C ATOM 12350 O4* A B 575 48.958 -19.049 19.074 1.00 0.00 O ATOM 12351 C3* A B 575 50.769 -18.564 17.649 1.00 0.00 C ATOM 12352 O3* A B 575 51.404 -18.113 16.339 1.00 0.00 O ATOM 12353 C2* A B 575 50.830 -17.600 18.834 1.00 0.00 C ATOM 12354 O2* A B 575 50.255 -16.348 18.495 1.00 0.00 O ATOM 12355 C1* A B 575 49.875 -18.268 19.823 1.00 0.00 C ATOM 12356 N9 A B 575 50.619 -19.263 20.949 1.00 0.00 N ATOM 12357 C8 A B 575 50.099 -20.358 21.596 1.00 0.00 C ATOM 12358 N7 A B 575 50.861 -20.828 22.540 1.00 0.00 N ATOM 12359 C5 A B 575 51.964 -19.989 22.523 1.00 0.00 C ATOM 12360 C6 A B 575 53.144 -19.958 23.288 1.00 0.00 C ATOM 12361 N6 A B 575 53.410 -20.833 24.265 1.00 0.00 N ATOM 12362 N1 A B 575 54.037 -18.995 23.012 1.00 0.00 N ATOM 12363 C2 A B 575 53.765 -18.126 22.036 1.00 0.00 C ATOM 12364 N3 A B 575 52.707 -18.060 21.258 1.00 0.00 N ATOM 12365 C4 A B 575 51.829 -19.033 21.557 1.00 0.00 C ATOM 12366 P U B 576 51.635 -19.355 15.006 1.00 0.00 P ATOM 12367 O1P U B 576 52.132 -18.699 13.782 1.00 0.00 O ATOM 12368 O2P U B 576 50.437 -20.209 14.842 1.00 0.00 O ATOM 12369 O5* U B 576 53.003 -20.255 15.829 1.00 0.00 O ATOM 12370 C5* U B 576 54.111 -21.060 15.330 1.00 0.00 C ATOM 12371 C4* U B 576 53.626 -22.075 14.141 1.00 0.00 C ATOM 12372 O4* U B 576 52.199 -22.328 13.991 1.00 0.00 O ATOM 12373 C3* U B 576 54.282 -23.310 13.518 1.00 0.00 C ATOM 12374 O3* U B 576 55.045 -23.422 12.151 1.00 0.00 O ATOM 12375 C2* U B 576 53.321 -24.423 13.924 1.00 0.00 C ATOM 12376 O2* U B 576 53.494 -24.764 15.284 1.00 0.00 O ATOM 12377 C1* U B 576 51.970 -23.715 13.812 1.00 0.00 C ATOM 12378 N1 U B 576 51.177 -23.937 12.335 1.00 0.00 N ATOM 12379 C2 U B 576 51.476 -25.080 11.632 1.00 0.00 C ATOM 12380 O2 U B 576 52.269 -25.913 12.026 1.00 0.00 O ATOM 12381 N3 U B 576 50.815 -25.224 10.430 1.00 0.00 N ATOM 12382 C4 U B 576 49.900 -24.343 9.881 1.00 0.00 C ATOM 12383 O4 U B 576 49.373 -24.582 8.794 1.00 0.00 O ATOM 12384 C5 U B 576 49.650 -23.177 10.696 1.00 0.00 C ATOM 12385 C6 U B 576 50.282 -23.008 11.872 1.00 0.00 C ATOM 12386 P G B 577 56.620 -22.536 11.839 1.00 0.00 P ATOM 12387 O1P G B 577 56.892 -21.527 12.884 1.00 0.00 O ATOM 12388 O2P G B 577 56.683 -22.047 10.442 1.00 0.00 O ATOM 12389 O5* G B 577 57.658 -24.028 12.041 1.00 0.00 O ATOM 12390 C5* G B 577 58.503 -25.146 11.675 1.00 0.00 C ATOM 12391 C4* G B 577 59.971 -25.171 12.363 1.00 0.00 C ATOM 12392 O4* G B 577 60.324 -26.127 13.398 1.00 0.00 O ATOM 12393 C3* G B 577 61.280 -24.966 11.595 1.00 0.00 C ATOM 12394 O3* G B 577 61.269 -23.844 10.582 1.00 0.00 O ATOM 12395 C2* G B 577 62.320 -25.047 12.706 1.00 0.00 C ATOM 12396 O2* G B 577 62.346 -23.849 13.461 1.00 0.00 O ATOM 12397 C1* G B 577 61.727 -26.125 13.605 1.00 0.00 C ATOM 12398 N9 G B 577 62.322 -27.715 13.309 1.00 0.00 N ATOM 12399 C8 G B 577 63.621 -28.144 13.163 1.00 0.00 C ATOM 12400 N7 G B 577 63.745 -29.447 13.060 1.00 0.00 N ATOM 12401 C5 G B 577 62.432 -29.910 13.137 1.00 0.00 C ATOM 12402 C6 G B 577 61.926 -31.238 13.084 1.00 0.00 C ATOM 12403 O6 G B 577 62.546 -32.292 12.959 1.00 0.00 O ATOM 12404 N1 G B 577 60.534 -31.258 13.202 1.00 0.00 N ATOM 12405 C2 G B 577 59.732 -30.148 13.357 1.00 0.00 C ATOM 12406 N2 G B 577 58.418 -30.378 13.453 1.00 0.00 N ATOM 12407 N3 G B 577 60.202 -28.903 13.404 1.00 0.00 N ATOM 12408 C4 G B 577 61.558 -28.867 13.289 1.00 0.00 C ATOM 12409 P G B 578 62.862 -23.102 10.056 1.00 0.00 P ATOM 12410 O1P G B 578 63.283 -22.018 10.973 1.00 0.00 O ATOM 12411 O2P G B 578 62.767 -22.736 8.627 1.00 0.00 O ATOM 12412 O5* G B 578 63.920 -24.579 10.284 1.00 0.00 O ATOM 12413 C5* G B 578 65.370 -24.611 10.244 1.00 0.00 C ATOM 12414 C4* G B 578 66.000 -24.739 8.760 1.00 0.00 C ATOM 12415 O4* G B 578 65.599 -23.910 7.626 1.00 0.00 O ATOM 12416 C3* G B 578 67.404 -25.209 8.393 1.00 0.00 C ATOM 12417 O3* G B 578 67.954 -26.398 9.186 1.00 0.00 O ATOM 12418 C2* G B 578 67.295 -25.404 6.883 1.00 0.00 C ATOM 12419 O2* G B 578 66.598 -26.601 6.577 1.00 0.00 O ATOM 12420 C1* G B 578 66.385 -24.249 6.487 1.00 0.00 C ATOM 12421 N9 G B 578 67.213 -22.827 5.956 1.00 0.00 N ATOM 12422 C8 G B 578 67.037 -21.520 6.350 1.00 0.00 C ATOM 12423 N7 G B 578 67.762 -20.656 5.679 1.00 0.00 N ATOM 12424 C5 G B 578 68.467 -21.451 4.779 1.00 0.00 C ATOM 12425 C6 G B 578 69.413 -21.088 3.786 1.00 0.00 C ATOM 12426 O6 G B 578 69.832 -19.969 3.495 1.00 0.00 O ATOM 12427 N1 G B 578 69.888 -22.205 3.091 1.00 0.00 N ATOM 12428 C2 G B 578 69.496 -23.512 3.321 1.00 0.00 C ATOM 12429 N2 G B 578 70.064 -24.441 2.551 1.00 0.00 N ATOM 12430 N3 G B 578 68.611 -23.853 4.256 1.00 0.00 N ATOM 12431 C4 G B 578 68.140 -22.776 4.938 1.00 0.00 C ATOM 12432 P G B 579 69.269 -26.047 10.395 1.00 0.00 P ATOM 12433 O1P G B 579 69.408 -24.618 10.758 1.00 0.00 O ATOM 12434 O2P G B 579 70.528 -26.752 10.062 1.00 0.00 O ATOM 12435 O5* G B 579 68.505 -26.831 11.561 1.00 0.00 O ATOM 12436 C5* G B 579 67.272 -26.293 12.070 1.00 0.00 C ATOM 12437 C4* G B 579 66.659 -27.252 13.072 1.00 0.00 C ATOM 12438 O4* G B 579 66.230 -28.455 12.367 1.00 0.00 O ATOM 12439 C3* G B 579 67.604 -27.777 14.153 1.00 0.00 C ATOM 12440 O3* G B 579 67.699 -26.889 15.221 1.00 0.00 O ATOM 12441 C2* G B 579 66.941 -29.099 14.542 1.00 0.00 C ATOM 12442 O2* G B 579 65.808 -28.870 15.359 1.00 0.00 O ATOM 12443 C1* G B 579 66.425 -29.592 13.194 1.00 0.00 C ATOM 12444 N9 G B 579 67.363 -30.513 12.494 1.00 0.00 N ATOM 12445 C8 G B 579 68.165 -30.272 11.399 1.00 0.00 C ATOM 12446 N7 G B 579 68.880 -31.307 11.025 1.00 0.00 N ATOM 12447 C5 G B 579 68.526 -32.302 11.936 1.00 0.00 C ATOM 12448 C6 G B 579 68.970 -33.644 12.040 1.00 0.00 C ATOM 12449 O6 G B 579 69.781 -34.243 11.338 1.00 0.00 O ATOM 12450 N1 G B 579 68.355 -34.306 13.111 1.00 0.00 N ATOM 12451 C2 G B 579 67.429 -33.744 13.969 1.00 0.00 C ATOM 12452 N2 G B 579 66.958 -34.542 14.928 1.00 0.00 N ATOM 12453 N3 G B 579 67.013 -32.483 13.872 1.00 0.00 N ATOM 12454 C4 G B 579 67.602 -31.827 12.836 1.00 0.00 C ATOM 12455 P U B 580 69.123 -26.767 16.014 1.00 0.00 P ATOM 12456 O1P U B 580 69.140 -25.543 16.848 1.00 0.00 O ATOM 12457 O2P U B 580 70.236 -26.905 15.050 1.00 0.00 O ATOM 12458 O5* U B 580 69.056 -28.061 16.953 1.00 0.00 O ATOM 12459 C5* U B 580 67.985 -28.175 17.911 1.00 0.00 C ATOM 12460 C4* U B 580 68.044 -29.525 18.598 1.00 0.00 C ATOM 12461 O4* U B 580 67.730 -30.561 17.626 1.00 0.00 O ATOM 12462 C3* U B 580 69.414 -29.934 19.142 1.00 0.00 C ATOM 12463 O3* U B 580 69.644 -29.396 20.407 1.00 0.00 O ATOM 12464 C2* U B 580 69.308 -31.458 19.160 1.00 0.00 C ATOM 12465 O2* U B 580 68.520 -31.894 20.254 1.00 0.00 O ATOM 12466 C1* U B 580 68.499 -31.724 17.896 1.00 0.00 C ATOM 12467 N1 U B 580 69.336 -32.009 16.697 1.00 0.00 N ATOM 12468 C2 U B 580 69.941 -33.241 16.634 1.00 0.00 C ATOM 12469 O2 U B 580 69.818 -34.084 17.507 1.00 0.00 O ATOM 12470 N3 U B 580 70.710 -33.469 15.511 1.00 0.00 N ATOM 12471 C4 U B 580 70.917 -32.589 14.469 1.00 0.00 C ATOM 12472 O4 U B 580 71.630 -32.907 13.513 1.00 0.00 O ATOM 12473 C5 U B 580 70.242 -31.323 14.624 1.00 0.00 C ATOM 12474 C6 U B 580 69.490 -31.076 15.708 1.00 0.00 C ATOM 12475 P C B 581 71.167 -28.975 20.817 1.00 0.00 P ATOM 12476 O1P C B 581 71.153 -28.106 22.014 1.00 0.00 O ATOM 12477 O2P C B 581 71.863 -28.428 19.632 1.00 0.00 O ATOM 12478 O5* C B 581 71.781 -30.403 21.193 1.00 0.00 O ATOM 12479 C5* C B 581 71.190 -31.157 22.267 1.00 0.00 C ATOM 12480 C4* C B 581 71.846 -32.520 22.366 1.00 0.00 C ATOM 12481 O4* C B 581 71.492 -33.300 21.186 1.00 0.00 O ATOM 12482 C3* C B 581 73.374 -32.526 22.370 1.00 0.00 C ATOM 12483 O3* C B 581 73.883 -32.305 23.647 1.00 0.00 O ATOM 12484 C2* C B 581 73.690 -33.926 21.844 1.00 0.00 C ATOM 12485 O2* C B 581 73.483 -34.899 22.855 1.00 0.00 O ATOM 12486 C1* C B 581 72.587 -34.121 20.809 1.00 0.00 C ATOM 12487 N1 C B 581 72.990 -33.742 19.425 1.00 0.00 N ATOM 12488 C2 C B 581 73.849 -34.600 18.743 1.00 0.00 C ATOM 12489 O2 C B 581 74.237 -35.631 19.309 1.00 0.00 O ATOM 12490 N3 C B 581 74.229 -34.275 17.482 1.00 0.00 N ATOM 12491 C4 C B 581 73.786 -33.149 16.905 1.00 0.00 C ATOM 12492 N4 C B 581 74.186 -32.876 15.673 1.00 0.00 N ATOM 12493 C5 C B 581 72.903 -32.255 17.590 1.00 0.00 C ATOM 12494 C6 C B 581 72.535 -32.599 18.850 1.00 0.00 C ATOM 12495 P A B 582 75.285 -31.478 23.800 1.00 0.00 P ATOM 12496 O1P A B 582 75.464 -31.032 25.199 1.00 0.00 O ATOM 12497 O2P A B 582 75.343 -30.415 22.773 1.00 0.00 O ATOM 12498 O5* A B 582 76.346 -32.623 23.456 1.00 0.00 O ATOM 12499 C5* A B 582 76.397 -33.802 24.284 1.00 0.00 C ATOM 12500 C4* A B 582 77.379 -34.800 23.704 1.00 0.00 C ATOM 12501 O4* A B 582 76.855 -35.303 22.444 1.00 0.00 O ATOM 12502 C3* A B 582 78.754 -34.240 23.334 1.00 0.00 C ATOM 12503 O3* A B 582 79.605 -34.200 24.436 1.00 0.00 O ATOM 12504 C2* A B 582 79.222 -35.228 22.266 1.00 0.00 C ATOM 12505 O2* A B 582 79.655 -36.441 22.859 1.00 0.00 O ATOM 12506 C1* A B 582 77.918 -35.531 21.534 1.00 0.00 C ATOM 12507 N9 A B 582 77.693 -34.673 20.337 1.00 0.00 N ATOM 12508 C8 A B 582 76.818 -33.621 20.177 1.00 0.00 C ATOM 12509 N7 A B 582 76.862 -33.074 19.002 1.00 0.00 N ATOM 12510 C5 A B 582 77.827 -33.805 18.328 1.00 0.00 C ATOM 12511 C6 A B 582 78.346 -33.719 17.025 1.00 0.00 C ATOM 12512 N6 A B 582 77.936 -32.811 16.128 1.00 0.00 N ATOM 12513 N1 A B 582 79.299 -34.601 16.676 1.00 0.00 N ATOM 12514 C2 A B 582 79.701 -35.500 17.572 1.00 0.00 C ATOM 12515 N3 A B 582 79.295 -35.677 18.811 1.00 0.00 N ATOM 12516 C4 A B 582 78.340 -34.780 19.134 1.00 0.00 C ATOM 12517 P G B 583 80.696 -32.990 24.539 1.00 0.00 P ATOM 12518 O1P G B 583 81.234 -32.902 25.915 1.00 0.00 O ATOM 12519 O2P G B 583 80.104 -31.744 23.999 1.00 0.00 O ATOM 12520 O5* G B 583 81.832 -33.524 23.548 1.00 0.00 O ATOM 12521 C5* G B 583 82.481 -34.775 23.838 1.00 0.00 C ATOM 12522 C4* G B 583 83.425 -35.144 22.710 1.00 0.00 C ATOM 12523 O4* G B 583 82.640 -35.447 21.521 1.00 0.00 O ATOM 12524 C3* G B 583 84.377 -34.039 22.251 1.00 0.00 C ATOM 12525 O3* G B 583 85.517 -33.986 23.049 1.00 0.00 O ATOM 12526 C2* G B 583 84.681 -34.460 20.814 1.00 0.00 C ATOM 12527 O2* G B 583 85.599 -35.539 20.788 1.00 0.00 O ATOM 12528 C1* G B 583 83.332 -35.011 20.364 1.00 0.00 C ATOM 12529 N9 G B 583 82.479 -34.009 19.664 1.00 0.00 N ATOM 12530 C8 G B 583 81.357 -33.352 20.122 1.00 0.00 C ATOM 12531 N7 G B 583 80.834 -32.523 19.251 1.00 0.00 N ATOM 12532 C5 G B 583 81.665 -32.642 18.138 1.00 0.00 C ATOM 12533 C6 G B 583 81.604 -31.994 16.880 1.00 0.00 C ATOM 12534 O6 G B 583 80.790 -31.164 16.479 1.00 0.00 O ATOM 12535 N1 G B 583 82.647 -32.407 16.039 1.00 0.00 N ATOM 12536 C2 G B 583 83.619 -33.327 16.372 1.00 0.00 C ATOM 12537 N2 G B 583 84.529 -33.587 15.429 1.00 0.00 N ATOM 12538 N3 G B 583 83.676 -33.937 17.554 1.00 0.00 N ATOM 12539 C4 G B 583 82.672 -33.546 18.381 1.00 0.00 C ATOM 12540 P C B 584 86.213 -32.536 23.327 1.00 0.00 P ATOM 12541 O1P C B 584 87.158 -32.630 24.461 1.00 0.00 O ATOM 12542 O2P C B 584 85.162 -31.502 23.451 1.00 0.00 O ATOM 12543 O5* C B 584 87.023 -32.324 21.962 1.00 0.00 O ATOM 12544 C5* C B 584 88.039 -33.277 21.599 1.00 0.00 C ATOM 12545 C4* C B 584 88.584 -32.953 20.223 1.00 0.00 C ATOM 12546 O4* C B 584 87.543 -33.193 19.235 1.00 0.00 O ATOM 12547 C3* C B 584 88.985 -31.496 19.991 1.00 0.00 C ATOM 12548 O3* C B 584 90.276 -31.241 20.444 1.00 0.00 O ATOM 12549 C2* C B 584 88.859 -31.369 18.474 1.00 0.00 C ATOM 12550 O2* C B 584 89.961 -31.984 17.826 1.00 0.00 O ATOM 12551 C1* C B 584 87.639 -32.236 18.191 1.00 0.00 C ATOM 12552 N1 C B 584 86.359 -31.473 18.146 1.00 0.00 N ATOM 12553 C2 C B 584 86.115 -30.681 17.028 1.00 0.00 C ATOM 12554 O2 C B 584 86.962 -30.645 16.125 1.00 0.00 O ATOM 12555 N3 C B 584 84.956 -29.978 16.969 1.00 0.00 N ATOM 12556 C4 C B 584 84.066 -30.043 17.964 1.00 0.00 C ATOM 12557 N4 C B 584 82.950 -29.336 17.855 1.00 0.00 N ATOM 12558 C5 C B 584 84.297 -30.853 19.122 1.00 0.00 C ATOM 12559 C6 C B 584 85.461 -31.547 19.165 1.00 0.00 C ATOM 12560 P G B 585 90.449 -30.533 22.125 1.00 0.00 P ATOM 12561 O1P G B 585 91.593 -31.028 22.926 1.00 0.00 O ATOM 12562 O2P G B 585 89.131 -30.583 22.792 1.00 0.00 O ATOM 12563 O5* G B 585 90.892 -28.926 21.395 1.00 0.00 O ATOM 12564 C5* G B 585 90.522 -27.706 20.725 1.00 0.00 C ATOM 12565 C4* G B 585 89.067 -27.169 21.271 1.00 0.00 C ATOM 12566 O4* G B 585 88.433 -28.337 21.862 1.00 0.00 O ATOM 12567 C3* G B 585 88.766 -26.047 22.262 1.00 0.00 C ATOM 12568 O3* G B 585 89.617 -24.566 22.602 1.00 0.00 O ATOM 12569 C2* G B 585 87.362 -26.411 22.738 1.00 0.00 C ATOM 12570 O2* G B 585 86.393 -26.072 21.754 1.00 0.00 O ATOM 12571 C1* G B 585 87.435 -27.930 22.783 1.00 0.00 C ATOM 12572 N9 G B 585 87.834 -28.600 24.364 1.00 0.00 N ATOM 12573 C8 G B 585 89.069 -28.826 24.926 1.00 0.00 C ATOM 12574 N7 G B 585 89.022 -29.382 26.113 1.00 0.00 N ATOM 12575 C5 G B 585 87.662 -29.537 26.353 1.00 0.00 C ATOM 12576 C6 G B 585 86.988 -30.077 27.479 1.00 0.00 C ATOM 12577 O6 G B 585 87.460 -30.546 28.509 1.00 0.00 O ATOM 12578 N1 G B 585 85.592 -30.043 27.308 1.00 0.00 N ATOM 12579 C2 G B 585 84.941 -29.545 26.197 1.00 0.00 C ATOM 12580 N2 G B 585 83.607 -29.595 26.231 1.00 0.00 N ATOM 12581 N3 G B 585 85.573 -29.032 25.147 1.00 0.00 N ATOM 12582 C4 G B 585 86.922 -29.061 25.292 1.00 0.00 C ATOM 12583 P A B 586 89.761 -22.715 21.952 1.00 0.00 P ATOM 12584 O1P A B 586 88.480 -22.329 21.320 1.00 0.00 O ATOM 12585 O2P A B 586 90.952 -22.671 21.074 1.00 0.00 O ATOM 12586 O5* A B 586 89.858 -21.265 23.212 1.00 0.00 O ATOM 12587 C5* A B 586 90.081 -19.740 23.077 1.00 0.00 C ATOM 12588 C4* A B 586 91.732 -19.468 22.977 1.00 0.00 C ATOM 12589 O4* A B 586 92.019 -20.823 22.532 1.00 0.00 O ATOM 12590 C3* A B 586 92.814 -18.620 22.303 1.00 0.00 C ATOM 12591 O3* A B 586 93.724 -17.341 22.948 1.00 0.00 O ATOM 12592 C2* A B 586 94.020 -19.559 22.343 1.00 0.00 C ATOM 12593 O2* A B 586 94.580 -19.600 23.643 1.00 0.00 O ATOM 12594 C1* A B 586 93.366 -20.914 22.098 1.00 0.00 C ATOM 12595 N9 A B 586 93.374 -21.431 20.449 1.00 0.00 N ATOM 12596 C8 A B 586 93.785 -22.641 19.936 1.00 0.00 C ATOM 12597 N7 A B 586 93.844 -22.670 18.643 1.00 0.00 N ATOM 12598 C5 A B 586 93.442 -21.398 18.259 1.00 0.00 C ATOM 12599 C6 A B 586 93.287 -20.791 16.999 1.00 0.00 C ATOM 12600 N6 A B 586 93.532 -21.416 15.842 1.00 0.00 N ATOM 12601 N1 A B 586 92.866 -19.510 16.977 1.00 0.00 N ATOM 12602 C2 A B 586 92.628 -18.894 18.133 1.00 0.00 C ATOM 12603 N3 A B 586 92.735 -19.355 19.361 1.00 0.00 N ATOM 12604 C4 A B 586 93.153 -20.637 19.353 1.00 0.00 C ATOM 12605 P C B 587 93.746 -15.575 23.709 1.00 0.00 P ATOM 12606 O1P C B 587 94.372 -15.700 25.047 1.00 0.00 O ATOM 12607 O2P C B 587 92.370 -15.042 23.691 1.00 0.00 O ATOM 12608 O5* C B 587 94.756 -14.245 22.740 1.00 0.00 O ATOM 12609 C5* C B 587 94.929 -12.740 22.354 1.00 0.00 C ATOM 12610 C4* C B 587 96.428 -12.041 21.827 1.00 0.00 C ATOM 12611 O4* C B 587 97.394 -13.128 21.898 1.00 0.00 O ATOM 12612 C3* C B 587 97.261 -10.785 22.075 1.00 0.00 C ATOM 12613 O3* C B 587 97.821 -9.436 21.343 1.00 0.00 O ATOM 12614 C2* C B 587 98.280 -11.279 23.101 1.00 0.00 C ATOM 12615 O2* C B 587 97.685 -11.387 24.386 1.00 0.00 O ATOM 12616 C1* C B 587 98.540 -12.700 22.616 1.00 0.00 C ATOM 12617 N1 C B 587 99.904 -12.869 21.602 1.00 0.00 N ATOM 12618 C2 C B 587 99.968 -13.992 20.782 1.00 0.00 C ATOM 12619 O2 C B 587 99.029 -14.791 20.789 1.00 0.00 O ATOM 12620 N3 C B 587 101.068 -14.175 20.007 1.00 0.00 N ATOM 12621 C4 C B 587 102.071 -13.287 20.026 1.00 0.00 C ATOM 12622 N4 C B 587 103.122 -13.509 19.250 1.00 0.00 N ATOM 12623 C5 C B 587 102.025 -12.123 20.857 1.00 0.00 C ATOM 12624 C6 C B 587 100.920 -11.959 21.628 1.00 0.00 C ATOM 12625 P U B 588 97.051 -8.091 20.294 1.00 0.00 P ATOM 12626 O1P U B 588 96.312 -6.976 20.929 1.00 0.00 O ATOM 12627 O2P U B 588 96.266 -8.925 19.356 1.00 0.00 O ATOM 12628 O5* U B 588 98.528 -7.097 19.655 1.00 0.00 O ATOM 12629 C5* U B 588 99.481 -5.888 19.484 1.00 0.00 C ATOM 12630 C4* U B 588 98.918 -4.374 19.002 1.00 0.00 C ATOM 12631 O4* U B 588 97.466 -4.368 18.830 1.00 0.00 O ATOM 12632 C3* U B 588 99.344 -2.964 18.589 1.00 0.00 C ATOM 12633 O3* U B 588 100.133 -1.518 19.206 1.00 0.00 O ATOM 12634 C2* U B 588 98.375 -2.660 17.448 1.00 0.00 C ATOM 12635 O2* U B 588 98.766 -3.339 16.265 1.00 0.00 O ATOM 12636 C1* U B 588 97.095 -3.324 17.941 1.00 0.00 C ATOM 12637 N1 U B 588 96.152 -3.966 16.750 1.00 0.00 N ATOM 12638 C2 U B 588 95.164 -3.165 16.236 1.00 0.00 C ATOM 12639 O2 U B 588 94.873 -2.083 16.725 1.00 0.00 O ATOM 12640 N3 U B 588 94.512 -3.655 15.126 1.00 0.00 N ATOM 12641 C4 U B 588 94.758 -4.858 14.498 1.00 0.00 C ATOM 12642 O4 U B 588 94.104 -5.194 13.502 1.00 0.00 O ATOM 12643 C5 U B 588 95.810 -5.636 15.105 1.00 0.00 C ATOM 12644 C6 U B 588 96.460 -5.178 16.185 1.00 0.00 C ATOM 12645 P U B 589 98.774 0.149 19.906 1.00 0.00 P ATOM 12646 O1P U B 589 99.040 0.521 21.314 1.00 0.00 O ATOM 12647 O2P U B 589 98.456 -1.277 19.668 1.00 0.00 O ATOM 12648 O5* U B 589 100.008 0.588 18.986 1.00 0.00 O ATOM 12649 C5* U B 589 101.068 1.369 19.568 1.00 0.00 C ATOM 12650 C4* U B 589 102.184 1.561 18.561 1.00 0.00 C ATOM 12651 O4* U B 589 102.821 0.276 18.309 1.00 0.00 O ATOM 12652 C3* U B 589 101.751 2.035 17.172 1.00 0.00 C ATOM 12653 O3* U B 589 101.611 3.422 17.128 1.00 0.00 O ATOM 12654 C2* U B 589 102.893 1.531 16.293 1.00 0.00 C ATOM 12655 O2* U B 589 104.039 2.350 16.434 1.00 0.00 O ATOM 12656 C1* U B 589 103.218 0.195 16.951 1.00 0.00 C ATOM 12657 N1 U B 589 102.514 -0.964 16.332 1.00 0.00 N ATOM 12658 C2 U B 589 102.965 -1.394 15.109 1.00 0.00 C ATOM 12659 O2 U B 589 103.902 -0.871 14.529 1.00 0.00 O ATOM 12660 N3 U B 589 102.288 -2.469 14.566 1.00 0.00 N ATOM 12661 C4 U B 589 101.221 -3.136 15.137 1.00 0.00 C ATOM 12662 O4 U B 589 100.695 -4.086 14.555 1.00 0.00 O ATOM 12663 C5 U B 589 100.819 -2.610 16.418 1.00 0.00 C ATOM 12664 C6 U B 589 101.460 -1.565 16.969 1.00 0.00 C ATOM 12665 P A B 590 100.457 4.061 16.167 1.00 0.00 P ATOM 12666 O1P A B 590 100.219 5.479 16.525 1.00 0.00 O ATOM 12667 O2P A B 590 99.264 3.185 16.181 1.00 0.00 O ATOM 12668 O5* A B 590 101.175 3.977 14.738 1.00 0.00 O ATOM 12669 C5* A B 590 102.411 4.689 14.535 1.00 0.00 C ATOM 12670 C4* A B 590 102.971 4.370 13.164 1.00 0.00 C ATOM 12671 O4* A B 590 103.385 2.973 13.137 1.00 0.00 O ATOM 12672 C3* A B 590 101.988 4.483 12.000 1.00 0.00 C ATOM 12673 O3* A B 590 101.890 5.797 11.538 1.00 0.00 O ATOM 12674 C2* A B 590 102.606 3.542 10.966 1.00 0.00 C ATOM 12675 O2* A B 590 103.726 4.146 10.342 1.00 0.00 O ATOM 12676 C1* A B 590 103.141 2.424 11.854 1.00 0.00 C ATOM 12677 N9 A B 590 102.196 1.284 12.014 1.00 0.00 N ATOM 12678 C8 A B 590 101.428 0.941 13.106 1.00 0.00 C ATOM 12679 N7 A B 590 100.701 -0.118 12.924 1.00 0.00 N ATOM 12680 C5 A B 590 100.999 -0.516 11.628 1.00 0.00 C ATOM 12681 C6 A B 590 100.550 -1.584 10.835 1.00 0.00 C ATOM 12682 N6 A B 590 99.659 -2.493 11.258 1.00 0.00 N ATOM 12683 N1 A B 590 101.050 -1.685 9.591 1.00 0.00 N ATOM 12684 C2 A B 590 101.934 -0.779 9.178 1.00 0.00 C ATOM 12685 N3 A B 590 102.426 0.255 9.823 1.00 0.00 N ATOM 12686 C4 A B 590 101.909 0.336 11.067 1.00 0.00 C ATOM 12687 P U B 591 100.454 6.323 10.970 1.00 0.00 P ATOM 12688 O1P U B 591 100.449 7.800 10.881 1.00 0.00 O ATOM 12689 O2P U B 591 99.358 5.724 11.764 1.00 0.00 O ATOM 12690 O5* U B 591 100.464 5.693 9.499 1.00 0.00 O ATOM 12691 C5* U B 591 101.508 6.077 8.583 1.00 0.00 C ATOM 12692 C4* U B 591 101.397 5.269 7.307 1.00 0.00 C ATOM 12693 O4* U B 591 101.707 3.878 7.596 1.00 0.00 O ATOM 12694 C3* U B 591 100.006 5.213 6.673 1.00 0.00 C ATOM 12695 O3* U B 591 99.762 6.327 5.870 1.00 0.00 O ATOM 12696 C2* U B 591 100.069 3.913 5.875 1.00 0.00 C ATOM 12697 O2* U B 591 100.822 4.091 4.684 1.00 0.00 O ATOM 12698 C1* U B 591 100.901 3.027 6.795 1.00 0.00 C ATOM 12699 N1 U B 591 100.086 2.177 7.707 1.00 0.00 N ATOM 12700 C2 U B 591 99.447 1.093 7.149 1.00 0.00 C ATOM 12701 O2 U B 591 99.529 0.815 5.965 1.00 0.00 O ATOM 12702 N3 U B 591 98.700 0.331 8.022 1.00 0.00 N ATOM 12703 C4 U B 591 98.541 0.553 9.374 1.00 0.00 C ATOM 12704 O4 U B 591 97.842 -0.203 10.056 1.00 0.00 O ATOM 12705 C5 U B 591 99.245 1.713 9.868 1.00 0.00 C ATOM 12706 C6 U B 591 99.979 2.473 9.040 1.00 0.00 C ATOM 12707 P A B 592 98.239 6.914 5.787 1.00 0.00 P ATOM 12708 O1P A B 592 98.249 8.273 5.205 1.00 0.00 O ATOM 12709 O2P A B 592 97.588 6.783 7.108 1.00 0.00 O ATOM 12710 O5* A B 592 97.578 5.886 4.752 1.00 0.00 O ATOM 12711 C5* A B 592 98.122 5.785 3.424 1.00 0.00 C ATOM 12712 C4* A B 592 97.433 4.672 2.664 1.00 0.00 C ATOM 12713 O4* A B 592 97.789 3.395 3.266 1.00 0.00 O ATOM 12714 C3* A B 592 95.904 4.685 2.710 1.00 0.00 C ATOM 12715 O3* A B 592 95.370 5.536 1.743 1.00 0.00 O ATOM 12716 C2* A B 592 95.564 3.219 2.454 1.00 0.00 C ATOM 12717 O2* A B 592 95.720 2.898 1.082 1.00 0.00 O ATOM 12718 C1* A B 592 96.685 2.507 3.205 1.00 0.00 C ATOM 12719 N9 A B 592 96.322 2.127 4.600 1.00 0.00 N ATOM 12720 C8 A B 592 96.728 2.698 5.785 1.00 0.00 C ATOM 12721 N7 A B 592 96.229 2.126 6.838 1.00 0.00 N ATOM 12722 C5 A B 592 95.440 1.108 6.329 1.00 0.00 C ATOM 12723 C6 A B 592 94.636 0.134 6.941 1.00 0.00 C ATOM 12724 N6 A B 592 94.492 0.024 8.270 1.00 0.00 N ATOM 12725 N1 A B 592 93.984 -0.729 6.140 1.00 0.00 N ATOM 12726 C2 A B 592 94.131 -0.614 4.821 1.00 0.00 C ATOM 12727 N3 A B 592 94.848 0.252 4.137 1.00 0.00 N ATOM 12728 C4 A B 592 95.490 1.103 4.965 1.00 0.00 C ATOM 12729 P U B 593 93.987 6.337 2.082 1.00 0.00 P ATOM 12730 O1P U B 593 93.789 7.443 1.117 1.00 0.00 O ATOM 12731 O2P U B 593 93.982 6.727 3.511 1.00 0.00 O ATOM 12732 O5* U B 593 92.904 5.191 1.827 1.00 0.00 O ATOM 12733 C5* U B 593 92.804 4.605 0.516 1.00 0.00 C ATOM 12734 C4* U B 593 91.807 3.462 0.532 1.00 0.00 C ATOM 12735 O4* U B 593 92.349 2.377 1.342 1.00 0.00 O ATOM 12736 C3* U B 593 90.457 3.765 1.184 1.00 0.00 C ATOM 12737 O3* U B 593 89.583 4.376 0.288 1.00 0.00 O ATOM 12738 C2* U B 593 89.988 2.377 1.609 1.00 0.00 C ATOM 12739 O2* U B 593 89.512 1.643 0.496 1.00 0.00 O ATOM 12740 C1* U B 593 91.301 1.728 2.041 1.00 0.00 C ATOM 12741 N1 U B 593 91.578 1.847 3.498 1.00 0.00 N ATOM 12742 C2 U B 593 90.961 0.944 4.331 1.00 0.00 C ATOM 12743 O2 U B 593 90.214 0.072 3.921 1.00 0.00 O ATOM 12744 N3 U B 593 91.243 1.086 5.674 1.00 0.00 N ATOM 12745 C4 U B 593 92.069 2.035 6.244 1.00 0.00 C ATOM 12746 O4 U B 593 92.244 2.063 7.463 1.00 0.00 O ATOM 12747 C5 U B 593 92.669 2.938 5.291 1.00 0.00 C ATOM 12748 C6 U B 593 92.413 2.824 3.978 1.00 0.00 C ATOM 12749 P U B 594 88.523 5.481 0.855 1.00 0.00 P ATOM 12750 O1P U B 594 87.956 6.268 -0.262 1.00 0.00 O ATOM 12751 O2P U B 594 89.161 6.268 1.935 1.00 0.00 O ATOM 12752 O5* U B 594 87.396 4.525 1.473 1.00 0.00 O ATOM 12753 C5* U B 594 86.707 3.607 0.602 1.00 0.00 C ATOM 12754 C4* U B 594 85.782 2.721 1.415 1.00 0.00 C ATOM 12755 O4* U B 594 86.585 1.843 2.251 1.00 0.00 O ATOM 12756 C3* U B 594 84.870 3.444 2.404 1.00 0.00 C ATOM 12757 O3* U B 594 83.710 3.914 1.788 1.00 0.00 O ATOM 12758 C2* U B 594 84.588 2.354 3.436 1.00 0.00 C ATOM 12759 O2* U B 594 83.640 1.421 2.935 1.00 0.00 O ATOM 12760 C1* U B 594 85.931 1.633 3.493 1.00 0.00 C ATOM 12761 N1 U B 594 86.828 2.124 4.577 1.00 0.00 N ATOM 12762 C2 U B 594 86.582 1.664 5.848 1.00 0.00 C ATOM 12763 O2 U B 594 85.682 0.887 6.111 1.00 0.00 O ATOM 12764 N3 U B 594 87.434 2.142 6.825 1.00 0.00 N ATOM 12765 C4 U B 594 88.483 3.021 6.640 1.00 0.00 C ATOM 12766 O4 U B 594 89.177 3.377 7.597 1.00 0.00 O ATOM 12767 C5 U B 594 88.660 3.447 5.274 1.00 0.00 C ATOM 12768 C6 U B 594 87.846 3.000 4.304 1.00 0.00 C ATOM 12769 P C B 595 83.051 5.308 2.314 1.00 0.00 P ATOM 12770 O1P C B 595 82.075 5.818 1.326 1.00 0.00 O ATOM 12771 O2P C B 595 84.125 6.248 2.704 1.00 0.00 O ATOM 12772 O5* C B 595 82.278 4.798 3.621 1.00 0.00 O ATOM 12773 C5* C B 595 81.245 3.806 3.480 1.00 0.00 C ATOM 12774 C4* C B 595 80.741 3.382 4.846 1.00 0.00 C ATOM 12775 O4* C B 595 81.799 2.660 5.536 1.00 0.00 O ATOM 12776 C3* C B 595 80.385 4.519 5.805 1.00 0.00 C ATOM 12777 O3* C B 595 79.090 4.986 5.585 1.00 0.00 O ATOM 12778 C2* C B 595 80.547 3.850 7.166 1.00 0.00 C ATOM 12779 O2* C B 595 79.447 3.001 7.445 1.00 0.00 O ATOM 12780 C1* C B 595 81.753 2.947 6.924 1.00 0.00 C ATOM 12781 N1 C B 595 83.051 3.565 7.311 1.00 0.00 N ATOM 12782 C2 C B 595 83.342 3.668 8.668 1.00 0.00 C ATOM 12783 O2 C B 595 82.520 3.247 9.490 1.00 0.00 O ATOM 12784 N3 C B 595 84.522 4.229 9.042 1.00 0.00 N ATOM 12785 C4 C B 595 85.388 4.675 8.122 1.00 0.00 C ATOM 12786 N4 C B 595 86.523 5.212 8.538 1.00 0.00 N ATOM 12787 C5 C B 595 85.106 4.579 6.721 1.00 0.00 C ATOM 12788 C6 C B 595 83.924 4.015 6.369 1.00 0.00 C ATOM 12789 P U B 596 78.779 6.571 5.817 1.00 0.00 P ATOM 12790 O1P U B 596 77.486 6.936 5.197 1.00 0.00 O ATOM 12791 O2P U B 596 79.947 7.371 5.390 1.00 0.00 O ATOM 12792 O5* U B 596 78.645 6.620 7.415 1.00 0.00 O ATOM 12793 C5* U B 596 77.622 5.834 8.050 1.00 0.00 C ATOM 12794 C4* U B 596 77.756 5.934 9.557 1.00 0.00 C ATOM 12795 O4* U B 596 78.985 5.264 9.966 1.00 0.00 O ATOM 12796 C3* U B 596 77.901 7.346 10.124 1.00 0.00 C ATOM 12797 O3* U B 596 76.660 7.956 10.300 1.00 0.00 O ATOM 12798 C2* U B 596 78.625 7.089 11.443 1.00 0.00 C ATOM 12799 O2* U B 596 77.730 6.576 12.416 1.00 0.00 O ATOM 12800 C1* U B 596 79.565 5.950 11.062 1.00 0.00 C ATOM 12801 N1 U B 596 80.924 6.411 10.655 1.00 0.00 N ATOM 12802 C2 U B 596 81.764 6.844 11.649 1.00 0.00 C ATOM 12803 O2 U B 596 81.442 6.867 12.826 1.00 0.00 O ATOM 12804 N3 U B 596 83.011 7.262 11.234 1.00 0.00 N ATOM 12805 C4 U B 596 83.478 7.279 9.934 1.00 0.00 C ATOM 12806 O4 U B 596 84.620 7.674 9.684 1.00 0.00 O ATOM 12807 C5 U B 596 82.524 6.804 8.960 1.00 0.00 C ATOM 12808 C6 U B 596 81.303 6.392 9.337 1.00 0.00 C ATOM 12809 P G B 597 76.538 9.568 10.077 1.00 0.00 P ATOM 12810 O1P G B 597 75.117 9.963 9.946 1.00 0.00 O ATOM 12811 O2P G B 597 77.425 9.979 8.967 1.00 0.00 O ATOM 12812 O5* G B 597 77.123 10.106 11.466 1.00 0.00 O ATOM 12813 C5* G B 597 76.460 9.744 12.690 1.00 0.00 C ATOM 12814 C4* G B 597 77.247 10.257 13.880 1.00 0.00 C ATOM 12815 O4* G B 597 78.506 9.527 13.959 1.00 0.00 O ATOM 12816 C3* G B 597 77.676 11.722 13.814 1.00 0.00 C ATOM 12817 O3* G B 597 76.661 12.571 14.254 1.00 0.00 O ATOM 12818 C2* G B 597 78.899 11.738 14.729 1.00 0.00 C ATOM 12819 O2* G B 597 78.507 11.707 16.092 1.00 0.00 O ATOM 12820 C1* G B 597 79.533 10.388 14.419 1.00 0.00 C ATOM 12821 N9 G B 597 80.587 10.452 13.368 1.00 0.00 N ATOM 12822 C8 G B 597 80.534 10.031 12.056 1.00 0.00 C ATOM 12823 N7 G B 597 81.643 10.231 11.385 1.00 0.00 N ATOM 12824 C5 G B 597 82.492 10.825 12.319 1.00 0.00 C ATOM 12825 C6 G B 597 83.830 11.271 12.183 1.00 0.00 C ATOM 12826 O6 G B 597 84.558 11.237 11.191 1.00 0.00 O ATOM 12827 N1 G B 597 84.314 11.815 13.379 1.00 0.00 N ATOM 12828 C2 G B 597 83.596 11.911 14.558 1.00 0.00 C ATOM 12829 N2 G B 597 84.239 12.465 15.590 1.00 0.00 N ATOM 12830 N3 G B 597 82.340 11.496 14.684 1.00 0.00 N ATOM 12831 C4 G B 597 81.856 10.965 13.531 1.00 0.00 C ATOM 12832 P U B 598 76.513 14.040 13.556 1.00 0.00 P ATOM 12833 O1P U B 598 75.195 14.628 13.883 1.00 0.00 O ATOM 12834 O2P U B 598 76.833 13.937 12.117 1.00 0.00 O ATOM 12835 O5* U B 598 77.666 14.850 14.312 1.00 0.00 O ATOM 12836 C5* U B 598 77.599 14.991 15.744 1.00 0.00 C ATOM 12837 C4* U B 598 78.851 15.680 16.257 1.00 0.00 C ATOM 12838 O4* U B 598 79.987 14.789 16.067 1.00 0.00 O ATOM 12839 C3* U B 598 79.256 16.958 15.523 1.00 0.00 C ATOM 12840 O3* U B 598 78.570 18.068 16.013 1.00 0.00 O ATOM 12841 C2* U B 598 80.755 17.023 15.799 1.00 0.00 C ATOM 12842 O2* U B 598 81.004 17.464 17.122 1.00 0.00 O ATOM 12843 C1* U B 598 81.143 15.547 15.745 1.00 0.00 C ATOM 12844 N1 U B 598 81.624 15.103 14.408 1.00 0.00 N ATOM 12845 C2 U B 598 82.885 15.505 14.032 1.00 0.00 C ATOM 12846 O2 U B 598 83.598 16.192 14.740 1.00 0.00 O ATOM 12847 N3 U B 598 83.297 15.075 12.785 1.00 0.00 N ATOM 12848 C4 U B 598 82.572 14.296 11.905 1.00 0.00 C ATOM 12849 O4 U B 598 83.049 13.972 10.816 1.00 0.00 O ATOM 12850 C5 U B 598 81.263 13.927 12.388 1.00 0.00 C ATOM 12851 C6 U B 598 80.837 14.330 13.597 1.00 0.00 C ATOM 12852 P A B 599 78.180 19.266 14.975 1.00 0.00 P ATOM 12853 O1P A B 599 77.163 20.155 15.581 1.00 0.00 O ATOM 12854 O2P A B 599 77.830 18.687 13.659 1.00 0.00 O ATOM 12855 O5* A B 599 79.578 20.038 14.872 1.00 0.00 O ATOM 12856 C5* A B 599 80.155 20.608 16.061 1.00 0.00 C ATOM 12857 C4* A B 599 81.524 21.176 15.755 1.00 0.00 C ATOM 12858 O4* A B 599 82.431 20.079 15.444 1.00 0.00 O ATOM 12859 C3* A B 599 81.610 22.086 14.529 1.00 0.00 C ATOM 12860 O3* A B 599 81.251 23.396 14.837 1.00 0.00 O ATOM 12861 C2* A B 599 83.081 21.954 14.136 1.00 0.00 C ATOM 12862 O2* A B 599 83.903 22.715 15.008 1.00 0.00 O ATOM 12863 C1* A B 599 83.352 20.485 14.443 1.00 0.00 C ATOM 12864 N9 A B 599 83.178 19.587 13.268 1.00 0.00 N ATOM 12865 C8 A B 599 82.157 18.703 12.996 1.00 0.00 C ATOM 12866 N7 A B 599 82.302 18.060 11.876 1.00 0.00 N ATOM 12867 C5 A B 599 83.499 18.544 11.363 1.00 0.00 C ATOM 12868 C6 A B 599 84.209 18.259 10.189 1.00 0.00 C ATOM 12869 N6 A B 599 83.798 17.370 9.273 1.00 0.00 N ATOM 12870 N1 A B 599 85.363 18.919 9.987 1.00 0.00 N ATOM 12871 C2 A B 599 85.769 19.802 10.899 1.00 0.00 C ATOM 12872 N3 A B 599 85.190 20.152 12.028 1.00 0.00 N ATOM 12873 C4 A B 599 84.037 19.475 12.207 1.00 0.00 C ATOM 12874 P G B 600 80.487 24.285 13.704 1.00 0.00 P ATOM 12875 O1P G B 600 79.873 25.481 14.322 1.00 0.00 O ATOM 12876 O2P G B 600 79.570 23.418 12.930 1.00 0.00 O ATOM 12877 O5* G B 600 81.721 24.724 12.786 1.00 0.00 O ATOM 12878 C5* G B 600 82.781 25.503 13.367 1.00 0.00 C ATOM 12879 C4* G B 600 83.896 25.697 12.360 1.00 0.00 C ATOM 12880 O4* G B 600 84.534 24.412 12.108 1.00 0.00 O ATOM 12881 C3* G B 600 83.465 26.172 10.971 1.00 0.00 C ATOM 12882 O3* G B 600 83.324 27.558 10.925 1.00 0.00 O ATOM 12883 C2* G B 600 84.608 25.667 10.091 1.00 0.00 C ATOM 12884 O2* G B 600 85.751 26.488 10.234 1.00 0.00 O ATOM 12885 C1* G B 600 84.931 24.331 10.749 1.00 0.00 C ATOM 12886 N9 G B 600 84.227 23.171 10.131 1.00 0.00 N ATOM 12887 C8 G B 600 83.158 22.446 10.612 1.00 0.00 C ATOM 12888 N7 G B 600 82.771 21.479 9.816 1.00 0.00 N ATOM 12889 C5 G B 600 83.642 21.572 8.731 1.00 0.00 C ATOM 12890 C6 G B 600 83.715 20.789 7.550 1.00 0.00 C ATOM 12891 O6 G B 600 83.015 19.837 7.210 1.00 0.00 O ATOM 12892 N1 G B 600 84.749 21.227 6.711 1.00 0.00 N ATOM 12893 C2 G B 600 85.602 22.280 6.977 1.00 0.00 C ATOM 12894 N2 G B 600 86.524 22.541 6.050 1.00 0.00 N ATOM 12895 N3 G B 600 85.532 23.013 8.088 1.00 0.00 N ATOM 12896 C4 G B 600 84.533 22.602 8.913 1.00 0.00 C ATOM 12897 P C B 601 82.169 28.199 9.965 1.00 0.00 P ATOM 12898 O1P C B 601 81.934 29.614 10.324 1.00 0.00 O ATOM 12899 O2P C B 601 80.977 27.323 9.977 1.00 0.00 O ATOM 12900 O5* C B 601 82.887 28.116 8.537 1.00 0.00 O ATOM 12901 C5* C B 601 84.123 28.826 8.334 1.00 0.00 C ATOM 12902 C4* C B 601 84.683 28.508 6.962 1.00 0.00 C ATOM 12903 O4* C B 601 85.098 27.111 6.935 1.00 0.00 O ATOM 12904 C3* C B 601 83.702 28.622 5.795 1.00 0.00 C ATOM 12905 O3* C B 601 83.604 29.933 5.337 1.00 0.00 O ATOM 12906 C2* C B 601 84.319 27.681 4.765 1.00 0.00 C ATOM 12907 O2* C B 601 85.439 28.285 4.140 1.00 0.00 O ATOM 12908 C1* C B 601 84.854 26.560 5.651 1.00 0.00 C ATOM 12909 N1 C B 601 83.908 25.423 5.812 1.00 0.00 N ATOM 12910 C2 C B 601 83.747 24.556 4.735 1.00 0.00 C ATOM 12911 O2 C B 601 84.388 24.767 3.699 1.00 0.00 O ATOM 12912 N3 C B 601 82.889 23.511 4.859 1.00 0.00 N ATOM 12913 C4 C B 601 82.212 23.316 5.999 1.00 0.00 C ATOM 12914 N4 C B 601 81.389 22.282 6.071 1.00 0.00 N ATOM 12915 C5 C B 601 82.367 24.194 7.119 1.00 0.00 C ATOM 12916 C6 C B 601 83.225 25.234 6.972 1.00 0.00 C ATOM 12917 P A B 602 83.268 30.926 7.123 1.00 0.00 P ATOM 12918 O1P A B 602 81.812 30.733 7.285 1.00 0.00 O ATOM 12919 O2P A B 602 83.706 32.314 6.847 1.00 0.00 O ATOM 12920 O5* A B 602 83.920 30.589 9.055 1.00 0.00 O ATOM 12921 C5* A B 602 84.104 29.994 10.695 1.00 0.00 C ATOM 12922 C4* A B 602 85.144 29.054 11.903 1.00 0.00 C ATOM 12923 O4* A B 602 86.228 29.988 12.163 1.00 0.00 O ATOM 12924 C3* A B 602 85.243 28.049 13.055 1.00 0.00 C ATOM 12925 O3* A B 602 84.710 26.863 13.893 1.00 0.00 O ATOM 12926 C2* A B 602 86.749 27.951 13.263 1.00 0.00 C ATOM 12927 O2* A B 602 87.353 27.157 12.252 1.00 0.00 O ATOM 12928 C1* A B 602 87.191 29.389 13.013 1.00 0.00 C ATOM 12929 N9 A B 602 87.335 30.342 14.414 1.00 0.00 N ATOM 12930 C8 A B 602 86.444 31.262 14.915 1.00 0.00 C ATOM 12931 N7 A B 602 86.915 31.977 15.894 1.00 0.00 N ATOM 12932 C5 A B 602 88.206 31.499 16.058 1.00 0.00 C ATOM 12933 C6 A B 602 89.239 31.853 16.948 1.00 0.00 C ATOM 12934 N6 A B 602 89.119 32.809 17.876 1.00 0.00 N ATOM 12935 N1 A B 602 90.400 31.178 16.843 1.00 0.00 N ATOM 12936 C2 A B 602 90.512 30.231 15.919 1.00 0.00 C ATOM 12937 N3 A B 602 89.622 29.819 15.038 1.00 0.00 N ATOM 12938 C4 A B 602 88.471 30.506 15.164 1.00 0.00 C ATOM 12939 P A B 603 85.993 25.780 14.768 1.00 0.00 P ATOM 12940 O1P A B 603 85.314 24.622 15.387 1.00 0.00 O ATOM 12941 O2P A B 603 86.807 26.616 15.683 1.00 0.00 O ATOM 12942 O5* A B 603 87.091 25.172 13.390 1.00 0.00 O ATOM 12943 C5* A B 603 88.023 24.361 12.584 1.00 0.00 C ATOM 12944 C4* A B 603 89.578 24.845 12.331 1.00 0.00 C ATOM 12945 O4* A B 603 90.647 23.873 12.522 1.00 0.00 O ATOM 12946 C3* A B 603 90.041 25.665 11.127 1.00 0.00 C ATOM 12947 O3* A B 603 89.312 26.984 10.714 1.00 0.00 O ATOM 12948 C2* A B 603 91.551 25.728 11.342 1.00 0.00 C ATOM 12949 O2* A B 603 91.876 26.660 12.358 1.00 0.00 O ATOM 12950 C1* A B 603 91.839 24.341 11.904 1.00 0.00 C ATOM 12951 N9 A B 603 92.332 23.186 10.737 1.00 0.00 N ATOM 12952 C8 A B 603 91.693 22.815 9.576 1.00 0.00 C ATOM 12953 N7 A B 603 92.270 21.833 8.951 1.00 0.00 N ATOM 12954 C5 A B 603 93.365 21.523 9.747 1.00 0.00 C ATOM 12955 C6 A B 603 94.380 20.559 9.629 1.00 0.00 C ATOM 12956 N6 A B 603 94.458 19.693 8.609 1.00 0.00 N ATOM 12957 N1 A B 603 95.316 20.525 10.595 1.00 0.00 N ATOM 12958 C2 A B 603 95.233 21.395 11.603 1.00 0.00 C ATOM 12959 N3 A B 603 94.333 22.329 11.820 1.00 0.00 N ATOM 12960 C4 A B 603 93.409 22.346 10.837 1.00 0.00 C ATOM 12961 P G B 604 89.253 27.173 8.856 1.00 0.00 P ATOM 12962 O1P G B 604 88.426 26.063 8.334 1.00 0.00 O ATOM 12963 O2P G B 604 90.652 27.217 8.373 1.00 0.00 O ATOM 12964 O5* G B 604 88.534 28.572 8.557 1.00 0.00 O ATOM 12965 C5* G B 604 87.389 28.595 7.685 1.00 0.00 C ATOM 12966 C4* G B 604 86.797 29.988 7.646 1.00 0.00 C ATOM 12967 O4* G B 604 86.223 30.295 8.949 1.00 0.00 O ATOM 12968 C3* G B 604 87.788 31.127 7.403 1.00 0.00 C ATOM 12969 O3* G B 604 88.039 31.308 6.044 1.00 0.00 O ATOM 12970 C2* G B 604 87.069 32.318 8.032 1.00 0.00 C ATOM 12971 O2* G B 604 86.025 32.779 7.190 1.00 0.00 O ATOM 12972 C1* G B 604 86.406 31.671 9.244 1.00 0.00 C ATOM 12973 N9 G B 604 87.214 31.771 10.494 1.00 0.00 N ATOM 12974 C8 G B 604 87.934 30.795 11.143 1.00 0.00 C ATOM 12975 N7 G B 604 88.540 31.214 12.229 1.00 0.00 N ATOM 12976 C5 G B 604 88.195 32.561 12.302 1.00 0.00 C ATOM 12977 C6 G B 604 88.549 33.546 13.262 1.00 0.00 C ATOM 12978 O6 G B 604 89.251 33.427 14.260 1.00 0.00 O ATOM 12979 N1 G B 604 87.979 34.788 12.955 1.00 0.00 N ATOM 12980 C2 G B 604 87.172 35.048 11.863 1.00 0.00 C ATOM 12981 N2 G B 604 86.728 36.301 11.748 1.00 0.00 N ATOM 12982 N3 G B 604 86.840 34.125 10.963 1.00 0.00 N ATOM 12983 C4 G B 604 87.384 32.913 11.248 1.00 0.00 C ATOM 12984 P G B 605 89.527 31.786 5.576 1.00 0.00 P ATOM 12985 O1P G B 605 89.703 31.568 4.123 1.00 0.00 O ATOM 12986 O2P G B 605 90.542 31.160 6.449 1.00 0.00 O ATOM 12987 O5* G B 605 89.446 33.357 5.879 1.00 0.00 O ATOM 12988 C5* G B 605 88.456 34.150 5.201 1.00 0.00 C ATOM 12989 C4* G B 605 88.477 35.569 5.728 1.00 0.00 C ATOM 12990 O4* G B 605 88.006 35.566 7.108 1.00 0.00 O ATOM 12991 C3* G B 605 89.853 36.230 5.812 1.00 0.00 C ATOM 12992 O3* G B 605 90.224 36.788 4.590 1.00 0.00 O ATOM 12993 C2* G B 605 89.639 37.277 6.900 1.00 0.00 C ATOM 12994 O2* G B 605 88.917 38.387 6.396 1.00 0.00 O ATOM 12995 C1* G B 605 88.710 36.543 7.860 1.00 0.00 C ATOM 12996 N9 G B 605 89.420 35.846 8.968 1.00 0.00 N ATOM 12997 C8 G B 605 89.654 34.499 9.141 1.00 0.00 C ATOM 12998 N7 G B 605 90.318 34.210 10.236 1.00 0.00 N ATOM 12999 C5 G B 605 90.540 35.454 10.828 1.00 0.00 C ATOM 13000 C6 G B 605 91.207 35.786 12.033 1.00 0.00 C ATOM 13001 O6 G B 605 91.751 35.037 12.845 1.00 0.00 O ATOM 13002 N1 G B 605 91.201 37.169 12.260 1.00 0.00 N ATOM 13003 C2 G B 605 90.626 38.110 11.425 1.00 0.00 C ATOM 13004 N2 G B 605 90.728 39.380 11.817 1.00 0.00 N ATOM 13005 N3 G B 605 90.000 37.795 10.295 1.00 0.00 N ATOM 13006 C4 G B 605 89.995 36.458 10.060 1.00 0.00 C ATOM 13007 P U B 606 91.804 36.783 4.174 1.00 0.00 P ATOM 13008 O1P U B 606 91.952 37.072 2.732 1.00 0.00 O ATOM 13009 O2P U B 606 92.434 35.532 4.651 1.00 0.00 O ATOM 13010 O5* U B 606 92.346 38.023 5.034 1.00 0.00 O ATOM 13011 C5* U B 606 91.791 39.331 4.793 1.00 0.00 C ATOM 13012 C4* U B 606 92.353 40.322 5.791 1.00 0.00 C ATOM 13013 O4* U B 606 91.850 39.989 7.119 1.00 0.00 O ATOM 13014 C3* U B 606 93.874 40.306 5.962 1.00 0.00 C ATOM 13015 O3* U B 606 94.502 41.085 4.997 1.00 0.00 O ATOM 13016 C2* U B 606 94.042 40.868 7.375 1.00 0.00 C ATOM 13017 O2* U B 606 93.854 42.273 7.382 1.00 0.00 O ATOM 13018 C1* U B 606 92.843 40.258 8.094 1.00 0.00 C ATOM 13019 N1 U B 606 93.158 38.979 8.793 1.00 0.00 N ATOM 13020 C2 U B 606 93.882 39.064 9.958 1.00 0.00 C ATOM 13021 O2 U B 606 94.268 40.127 10.422 1.00 0.00 O ATOM 13022 N3 U B 606 94.153 37.863 10.580 1.00 0.00 N ATOM 13023 C4 U B 606 93.767 36.610 10.146 1.00 0.00 C ATOM 13024 O4 U B 606 94.068 35.602 10.787 1.00 0.00 O ATOM 13025 C5 U B 606 93.010 36.622 8.915 1.00 0.00 C ATOM 13026 C6 U B 606 92.733 37.777 8.289 1.00 0.00 C ATOM 13027 P U B 607 95.968 40.618 4.443 1.00 0.00 P ATOM 13028 O1P U B 607 96.295 41.341 3.195 1.00 0.00 O ATOM 13029 O2P U B 607 96.016 39.142 4.365 1.00 0.00 O ATOM 13030 O5* U B 607 96.914 41.132 5.629 1.00 0.00 O ATOM 13031 C5* U B 607 96.947 42.537 5.937 1.00 0.00 C ATOM 13032 C4* U B 607 97.804 42.779 7.164 1.00 0.00 C ATOM 13033 O4* U B 607 97.140 42.204 8.323 1.00 0.00 O ATOM 13034 C3* U B 607 99.177 42.109 7.156 1.00 0.00 C ATOM 13035 O3* U B 607 100.120 42.880 6.475 1.00 0.00 O ATOM 13036 C2* U B 607 99.484 41.991 8.647 1.00 0.00 C ATOM 13037 O2* U B 607 99.875 43.244 9.183 1.00 0.00 O ATOM 13038 C1* U B 607 98.105 41.676 9.221 1.00 0.00 C ATOM 13039 N1 U B 607 97.841 40.218 9.375 1.00 0.00 N ATOM 13040 C2 U B 607 98.476 39.574 10.406 1.00 0.00 C ATOM 13041 O2 U B 607 99.229 40.142 11.180 1.00 0.00 O ATOM 13042 N3 U B 607 98.207 38.223 10.524 1.00 0.00 N ATOM 13043 C4 U B 607 97.375 37.483 9.705 1.00 0.00 C ATOM 13044 O4 U B 607 97.212 36.281 9.907 1.00 0.00 O ATOM 13045 C5 U B 607 96.752 38.246 8.649 1.00 0.00 C ATOM 13046 C6 U B 607 96.998 39.562 8.518 1.00 0.00 C ATOM 13047 P A B 608 101.231 41.360 5.976 1.00 0.00 P ATOM 13048 O1P A B 608 102.628 41.846 6.047 1.00 0.00 O ATOM 13049 O2P A B 608 100.692 41.160 4.614 1.00 0.00 O ATOM 13050 O5* A B 608 101.300 39.556 6.686 1.00 0.00 O ATOM 13051 C5* A B 608 101.349 37.980 6.569 1.00 0.00 C ATOM 13052 C4* A B 608 102.468 36.669 6.245 1.00 0.00 C ATOM 13053 O4* A B 608 103.267 36.180 7.365 1.00 0.00 O ATOM 13054 C3* A B 608 103.212 36.153 5.013 1.00 0.00 C ATOM 13055 O3* A B 608 103.056 36.577 3.560 1.00 0.00 O ATOM 13056 C2* A B 608 104.673 36.267 5.450 1.00 0.00 C ATOM 13057 O2* A B 608 105.110 37.614 5.400 1.00 0.00 O ATOM 13058 C1* A B 608 104.582 35.884 6.922 1.00 0.00 C ATOM 13059 N9 A B 608 104.909 34.222 7.257 1.00 0.00 N ATOM 13060 C8 A B 608 105.963 33.684 7.963 1.00 0.00 C ATOM 13061 N7 A B 608 106.036 32.391 7.896 1.00 0.00 N ATOM 13062 C5 A B 608 104.965 32.038 7.087 1.00 0.00 C ATOM 13063 C6 A B 608 104.494 30.796 6.629 1.00 0.00 C ATOM 13064 N6 A B 608 105.074 29.627 6.936 1.00 0.00 N ATOM 13065 N1 A B 608 103.406 30.798 5.841 1.00 0.00 N ATOM 13066 C2 A B 608 102.834 31.963 5.540 1.00 0.00 C ATOM 13067 N3 A B 608 103.179 33.175 5.908 1.00 0.00 N ATOM 13068 C4 A B 608 104.274 33.147 6.695 1.00 0.00 C ATOM 13069 P A B 609 104.319 35.894 2.412 1.00 0.00 P ATOM 13070 O1P A B 609 103.702 34.992 1.413 1.00 0.00 O ATOM 13071 O2P A B 609 105.531 35.373 3.086 1.00 0.00 O ATOM 13072 O5* A B 609 104.621 37.557 1.747 1.00 0.00 O ATOM 13073 C5* A B 609 104.360 38.924 1.414 1.00 0.00 C ATOM 13074 C4* A B 609 102.797 39.298 1.616 1.00 0.00 C ATOM 13075 O4* A B 609 101.866 38.183 1.533 1.00 0.00 O ATOM 13076 C3* A B 609 102.303 40.110 2.814 1.00 0.00 C ATOM 13077 O3* A B 609 103.201 41.098 3.689 1.00 0.00 O ATOM 13078 C2* A B 609 100.786 39.956 2.702 1.00 0.00 C ATOM 13079 O2* A B 609 100.271 40.782 1.672 1.00 0.00 O ATOM 13080 C1* A B 609 100.659 38.516 2.216 1.00 0.00 C ATOM 13081 N9 A B 609 100.407 37.363 3.457 1.00 0.00 N ATOM 13082 C8 A B 609 99.852 37.555 4.705 1.00 0.00 C ATOM 13083 N7 A B 609 99.660 36.453 5.371 1.00 0.00 N ATOM 13084 C5 A B 609 100.112 35.460 4.511 1.00 0.00 C ATOM 13085 C6 A B 609 100.173 34.062 4.632 1.00 0.00 C ATOM 13086 N6 A B 609 99.766 33.395 5.714 1.00 0.00 N ATOM 13087 N1 A B 609 100.681 33.372 3.591 1.00 0.00 N ATOM 13088 C2 A B 609 101.091 34.044 2.516 1.00 0.00 C ATOM 13089 N3 A B 609 101.079 35.338 2.286 1.00 0.00 N ATOM 13090 C4 A B 609 100.567 36.008 3.345 1.00 0.00 C ATOM 13091 P C B 610 103.489 42.981 3.633 1.00 0.00 P ATOM 13092 O1P C B 610 102.361 43.924 3.464 1.00 0.00 O ATOM 13093 O2P C B 610 104.452 42.920 2.512 1.00 0.00 O ATOM 13094 O5* C B 610 104.264 43.303 4.996 1.00 0.00 O ATOM 13095 C5* C B 610 104.074 44.586 5.620 1.00 0.00 C ATOM 13096 C4* C B 610 104.794 44.627 6.951 1.00 0.00 C ATOM 13097 O4* C B 610 104.137 43.710 7.874 1.00 0.00 O ATOM 13098 C3* C B 610 106.249 44.153 6.933 1.00 0.00 C ATOM 13099 O3* C B 610 107.117 45.172 6.549 1.00 0.00 O ATOM 13100 C2* C B 610 106.458 43.716 8.384 1.00 0.00 C ATOM 13101 O2* C B 610 106.627 44.841 9.227 1.00 0.00 O ATOM 13102 C1* C B 610 105.102 43.105 8.719 1.00 0.00 C ATOM 13103 N1 C B 610 105.036 41.633 8.508 1.00 0.00 N ATOM 13104 C2 C B 610 105.688 40.815 9.432 1.00 0.00 C ATOM 13105 O2 C B 610 106.284 41.343 10.378 1.00 0.00 O ATOM 13106 N3 C B 610 105.642 39.470 9.256 1.00 0.00 N ATOM 13107 C4 C B 610 104.985 38.938 8.217 1.00 0.00 C ATOM 13108 N4 C B 610 104.971 37.620 8.091 1.00 0.00 N ATOM 13109 C5 C B 610 104.310 39.762 7.259 1.00 0.00 C ATOM 13110 C6 C B 610 104.367 41.103 7.449 1.00 0.00 C ATOM 13111 P C B 611 108.452 44.785 5.690 1.00 0.00 P ATOM 13112 O1P C B 611 109.031 45.999 5.073 1.00 0.00 O ATOM 13113 O2P C B 611 108.134 43.679 4.762 1.00 0.00 O ATOM 13114 O5* C B 611 109.414 44.258 6.854 1.00 0.00 O ATOM 13115 C5* C B 611 109.776 45.153 7.921 1.00 0.00 C ATOM 13116 C4* C B 611 110.584 44.415 8.968 1.00 0.00 C ATOM 13117 O4* C B 611 109.723 43.445 9.630 1.00 0.00 O ATOM 13118 C3* C B 611 111.747 43.571 8.439 1.00 0.00 C ATOM 13119 O3* C B 611 112.892 44.339 8.250 1.00 0.00 O ATOM 13120 C2* C B 611 111.911 42.529 9.543 1.00 0.00 C ATOM 13121 O2* C B 611 112.566 43.088 10.668 1.00 0.00 O ATOM 13122 C1* C B 611 110.465 42.281 9.952 1.00 0.00 C ATOM 13123 N1 C B 611 109.834 41.126 9.252 1.00 0.00 N ATOM 13124 C2 C B 611 110.214 39.843 9.639 1.00 0.00 C ATOM 13125 O2 C B 611 111.051 39.718 10.543 1.00 0.00 O ATOM 13126 N3 C B 611 109.652 38.779 9.012 1.00 0.00 N ATOM 13127 C4 C B 611 108.749 38.958 8.040 1.00 0.00 C ATOM 13128 N4 C B 611 108.229 37.886 7.460 1.00 0.00 N ATOM 13129 C5 C B 611 108.344 40.267 7.625 1.00 0.00 C ATOM 13130 C6 C B 611 108.918 41.318 8.265 1.00 0.00 C ATOM 13131 P G B 612 112.937 45.564 6.890 1.00 0.00 P ATOM 13132 O1P G B 612 114.028 46.535 7.141 1.00 0.00 O ATOM 13133 O2P G B 612 111.630 46.147 6.512 1.00 0.00 O ATOM 13134 O5* G B 612 113.382 44.235 5.738 1.00 0.00 O ATOM 13135 C5* G B 612 112.678 43.017 5.463 1.00 0.00 C ATOM 13136 C4* G B 612 113.613 41.926 4.730 1.00 0.00 C ATOM 13137 O4* G B 612 114.819 41.477 5.411 1.00 0.00 O ATOM 13138 C3* G B 612 113.109 40.675 4.012 1.00 0.00 C ATOM 13139 O3* G B 612 112.031 40.819 2.937 1.00 0.00 O ATOM 13140 C2* G B 612 114.411 39.995 3.598 1.00 0.00 C ATOM 13141 O2* G B 612 114.983 40.652 2.475 1.00 0.00 O ATOM 13142 C1* G B 612 115.307 40.293 4.790 1.00 0.00 C ATOM 13143 N9 G B 612 115.365 39.045 5.974 1.00 0.00 N ATOM 13144 C8 G B 612 114.806 39.014 7.235 1.00 0.00 C ATOM 13145 N7 G B 612 115.083 37.920 7.910 1.00 0.00 N ATOM 13146 C5 G B 612 115.879 37.184 7.037 1.00 0.00 C ATOM 13147 C6 G B 612 116.479 35.908 7.207 1.00 0.00 C ATOM 13148 O6 G B 612 116.438 35.156 8.179 1.00 0.00 O ATOM 13149 N1 G B 612 117.199 35.528 6.068 1.00 0.00 N ATOM 13150 C2 G B 612 117.324 36.277 4.914 1.00 0.00 C ATOM 13151 N2 G B 612 118.053 35.737 3.938 1.00 0.00 N ATOM 13152 N3 G B 612 116.759 37.473 4.758 1.00 0.00 N ATOM 13153 C4 G B 612 116.052 37.857 5.850 1.00 0.00 C ATOM 13154 P A B 613 110.312 40.963 3.540 1.00 0.00 P ATOM 13155 O1P A B 613 110.009 42.366 3.897 1.00 0.00 O ATOM 13156 O2P A B 613 109.943 39.945 4.551 1.00 0.00 O ATOM 13157 O5* A B 613 109.670 40.555 1.891 1.00 0.00 O ATOM 13158 C5* A B 613 109.464 40.919 0.523 1.00 0.00 C ATOM 13159 C4* A B 613 110.265 39.980 -0.528 1.00 0.00 C ATOM 13160 O4* A B 613 111.701 40.157 -0.674 1.00 0.00 O ATOM 13161 C3* A B 613 110.061 38.467 -0.661 1.00 0.00 C ATOM 13162 O3* A B 613 108.653 37.916 -0.826 1.00 0.00 O ATOM 13163 C2* A B 613 111.118 38.096 -1.702 1.00 0.00 C ATOM 13164 O2* A B 613 110.688 38.464 -3.000 1.00 0.00 O ATOM 13165 C1* A B 613 112.264 39.028 -1.328 1.00 0.00 C ATOM 13166 N9 A B 613 113.416 38.349 -0.312 1.00 0.00 N ATOM 13167 C8 A B 613 113.963 38.878 0.837 1.00 0.00 C ATOM 13168 N7 A B 613 114.955 38.187 1.314 1.00 0.00 N ATOM 13169 C5 A B 613 115.083 37.127 0.432 1.00 0.00 C ATOM 13170 C6 A B 613 115.961 36.036 0.380 1.00 0.00 C ATOM 13171 N6 A B 613 116.921 35.815 1.289 1.00 0.00 N ATOM 13172 N1 A B 613 115.816 35.165 -0.636 1.00 0.00 N ATOM 13173 C2 A B 613 114.856 35.384 -1.533 1.00 0.00 C ATOM 13174 N3 A B 613 113.979 36.365 -1.598 1.00 0.00 N ATOM 13175 C4 A B 613 114.148 37.220 -0.564 1.00 0.00 C ATOM 13176 P A B 614 107.806 37.517 0.742 1.00 0.00 P ATOM 13177 O1P A B 614 106.887 38.613 1.115 1.00 0.00 O ATOM 13178 O2P A B 614 108.708 37.040 1.814 1.00 0.00 O ATOM 13179 O5* A B 614 106.943 36.139 -0.069 1.00 0.00 O ATOM 13180 C5* A B 614 106.503 35.141 -1.000 1.00 0.00 C ATOM 13181 C4* A B 614 107.661 34.091 -1.449 1.00 0.00 C ATOM 13182 O4* A B 614 108.971 34.628 -1.800 1.00 0.00 O ATOM 13183 C3* A B 614 107.984 32.815 -0.670 1.00 0.00 C ATOM 13184 O3* A B 614 106.819 31.825 -0.524 1.00 0.00 O ATOM 13185 C2* A B 614 109.224 32.298 -1.400 1.00 0.00 C ATOM 13186 O2* A B 614 108.866 31.694 -2.633 1.00 0.00 O ATOM 13187 C1* A B 614 109.945 33.601 -1.738 1.00 0.00 C ATOM 13188 N9 A B 614 111.128 34.058 -0.627 1.00 0.00 N ATOM 13189 C8 A B 614 111.148 35.164 0.197 1.00 0.00 C ATOM 13190 N7 A B 614 112.134 35.168 1.044 1.00 0.00 N ATOM 13191 C5 A B 614 112.814 33.991 0.773 1.00 0.00 C ATOM 13192 C6 A B 614 113.962 33.409 1.336 1.00 0.00 C ATOM 13193 N6 A B 614 114.659 33.966 2.336 1.00 0.00 N ATOM 13194 N1 A B 614 114.370 32.233 0.828 1.00 0.00 N ATOM 13195 C2 A B 614 113.674 31.680 -0.161 1.00 0.00 C ATOM 13196 N3 A B 614 112.593 32.129 -0.766 1.00 0.00 N ATOM 13197 C4 A B 614 112.207 33.309 -0.243 1.00 0.00 C ATOM 13198 P U B 615 106.203 31.516 1.167 1.00 0.00 P ATOM 13199 O1P U B 615 104.733 31.646 1.236 1.00 0.00 O ATOM 13200 O2P U B 615 106.967 32.245 2.201 1.00 0.00 O ATOM 13201 O5* U B 615 106.706 29.774 1.038 1.00 0.00 O ATOM 13202 C5* U B 615 107.459 28.626 0.631 1.00 0.00 C ATOM 13203 C4* U B 615 108.945 28.570 1.286 1.00 0.00 C ATOM 13204 O4* U B 615 109.877 29.629 0.927 1.00 0.00 O ATOM 13205 C3* U B 615 109.178 28.365 2.785 1.00 0.00 C ATOM 13206 O3* U B 615 108.560 27.127 3.424 1.00 0.00 O ATOM 13207 C2* U B 615 110.683 28.589 2.905 1.00 0.00 C ATOM 13208 O2* U B 615 111.401 27.459 2.436 1.00 0.00 O ATOM 13209 C1* U B 615 110.910 29.711 1.895 1.00 0.00 C ATOM 13210 N1 U B 615 110.897 31.271 2.558 1.00 0.00 N ATOM 13211 C2 U B 615 112.018 31.666 3.254 1.00 0.00 C ATOM 13212 O2 U B 615 112.969 30.928 3.453 1.00 0.00 O ATOM 13213 N3 U B 615 112.004 32.968 3.712 1.00 0.00 N ATOM 13214 C4 U B 615 110.985 33.883 3.546 1.00 0.00 C ATOM 13215 O4 U B 615 111.085 35.023 4.008 1.00 0.00 O ATOM 13216 C5 U B 615 109.853 33.380 2.805 1.00 0.00 C ATOM 13217 C6 U B 615 109.842 32.117 2.340 1.00 0.00 C ATOM 13218 P A B 616 107.366 27.533 4.746 1.00 0.00 P ATOM 13219 O1P A B 616 106.464 26.397 5.040 1.00 0.00 O ATOM 13220 O2P A B 616 106.706 28.841 4.520 1.00 0.00 O ATOM 13221 O5* A B 616 108.726 27.643 5.948 1.00 0.00 O ATOM 13222 C5* A B 616 109.785 26.820 6.464 1.00 0.00 C ATOM 13223 C4* A B 616 111.112 27.619 6.951 1.00 0.00 C ATOM 13224 O4* A B 616 111.666 28.645 6.082 1.00 0.00 O ATOM 13225 C3* A B 616 111.300 28.190 8.355 1.00 0.00 C ATOM 13226 O3* A B 616 111.172 27.210 9.531 1.00 0.00 O ATOM 13227 C2* A B 616 112.640 28.911 8.230 1.00 0.00 C ATOM 13228 O2* A B 616 113.713 27.989 8.239 1.00 0.00 O ATOM 13229 C1* A B 616 112.552 29.472 6.815 1.00 0.00 C ATOM 13230 N9 A B 616 111.995 31.057 6.723 1.00 0.00 N ATOM 13231 C8 A B 616 110.808 31.514 6.205 1.00 0.00 C ATOM 13232 N7 A B 616 110.735 32.805 6.107 1.00 0.00 N ATOM 13233 C5 A B 616 111.957 33.248 6.593 1.00 0.00 C ATOM 13234 C6 A B 616 112.505 34.528 6.752 1.00 0.00 C ATOM 13235 N6 A B 616 111.857 35.659 6.420 1.00 0.00 N ATOM 13236 N1 A B 616 113.748 34.614 7.262 1.00 0.00 N ATOM 13237 C2 A B 616 114.385 33.485 7.587 1.00 0.00 C ATOM 13238 N3 A B 616 113.977 32.244 7.486 1.00 0.00 N ATOM 13239 C4 A B 616 112.733 32.189 6.971 1.00 0.00 C ATOM 13240 P G B 617 109.623 27.447 10.457 1.00 0.00 P ATOM 13241 O1P G B 617 109.227 26.314 11.322 1.00 0.00 O ATOM 13242 O2P G B 617 108.577 27.954 9.541 1.00 0.00 O ATOM 13243 O5* G B 617 110.184 28.646 11.355 1.00 0.00 O ATOM 13244 C5* G B 617 111.277 28.388 12.256 1.00 0.00 C ATOM 13245 C4* G B 617 111.725 29.681 12.910 1.00 0.00 C ATOM 13246 O4* G B 617 112.327 30.535 11.897 1.00 0.00 O ATOM 13247 C3* G B 617 110.614 30.546 13.505 1.00 0.00 C ATOM 13248 O3* G B 617 110.279 30.133 14.793 1.00 0.00 O ATOM 13249 C2* G B 617 111.241 31.939 13.476 1.00 0.00 C ATOM 13250 O2* G B 617 112.190 32.084 14.522 1.00 0.00 O ATOM 13251 C1* G B 617 112.025 31.894 12.169 1.00 0.00 C ATOM 13252 N9 G B 617 111.278 32.443 11.004 1.00 0.00 N ATOM 13253 C8 G B 617 110.689 31.772 9.955 1.00 0.00 C ATOM 13254 N7 G B 617 110.100 32.557 9.085 1.00 0.00 N ATOM 13255 C5 G B 617 110.315 33.837 9.592 1.00 0.00 C ATOM 13256 C6 G B 617 109.912 35.099 9.088 1.00 0.00 C ATOM 13257 O6 G B 617 109.275 35.353 8.069 1.00 0.00 O ATOM 13258 N1 G B 617 110.340 36.144 9.920 1.00 0.00 N ATOM 13259 C2 G B 617 111.063 35.988 11.087 1.00 0.00 C ATOM 13260 N2 G B 617 111.374 37.108 11.740 1.00 0.00 N ATOM 13261 N3 G B 617 111.438 34.801 11.561 1.00 0.00 N ATOM 13262 C4 G B 617 111.031 33.777 10.764 1.00 0.00 C ATOM 13263 P G B 618 108.729 30.273 15.286 1.00 0.00 P ATOM 13264 O1P G B 618 108.505 29.464 16.503 1.00 0.00 O ATOM 13265 O2P G B 618 107.826 29.989 14.147 1.00 0.00 O ATOM 13266 O5* G B 618 108.671 31.830 15.652 1.00 0.00 O ATOM 13267 C5* G B 618 109.540 32.340 16.677 1.00 0.00 C ATOM 13268 C4* G B 618 109.406 33.847 16.769 1.00 0.00 C ATOM 13269 O4* G B 618 109.943 34.444 15.554 1.00 0.00 O ATOM 13270 C3* G B 618 107.977 34.385 16.842 1.00 0.00 C ATOM 13271 O3* G B 618 107.490 34.365 18.148 1.00 0.00 O ATOM 13272 C2* G B 618 108.141 35.803 16.294 1.00 0.00 C ATOM 13273 O2* G B 618 108.723 36.652 17.266 1.00 0.00 O ATOM 13274 C1* G B 618 109.185 35.590 15.205 1.00 0.00 C ATOM 13275 N9 G B 618 108.602 35.364 13.852 1.00 0.00 N ATOM 13276 C8 G B 618 108.513 34.196 13.127 1.00 0.00 C ATOM 13277 N7 G B 618 107.937 34.338 11.958 1.00 0.00 N ATOM 13278 C5 G B 618 107.622 35.695 11.905 1.00 0.00 C ATOM 13279 C6 G B 618 106.985 36.445 10.882 1.00 0.00 C ATOM 13280 O6 G B 618 106.562 36.063 9.795 1.00 0.00 O ATOM 13281 N1 G B 618 106.868 37.796 11.238 1.00 0.00 N ATOM 13282 C2 G B 618 107.304 38.349 12.427 1.00 0.00 C ATOM 13283 N2 G B 618 107.095 39.658 12.578 1.00 0.00 N ATOM 13284 N3 G B 618 107.900 37.642 13.384 1.00 0.00 N ATOM 13285 C4 G B 618 108.025 36.330 13.056 1.00 0.00 C ATOM 13286 P G B 619 106.140 33.131 18.348 1.00 0.00 P ATOM 13287 O1P G B 619 105.152 33.555 19.363 1.00 0.00 O ATOM 13288 O2P G B 619 106.681 31.760 18.500 1.00 0.00 O ATOM 13289 O5* G B 619 105.520 33.424 16.659 1.00 0.00 O ATOM 13290 C5* G B 619 105.852 33.791 15.317 1.00 0.00 C ATOM 13291 C4* G B 619 104.626 34.392 14.468 1.00 0.00 C ATOM 13292 O4* G B 619 103.815 35.445 15.064 1.00 0.00 O ATOM 13293 C3* G B 619 104.639 34.737 12.978 1.00 0.00 C ATOM 13294 O3* G B 619 104.840 33.444 12.109 1.00 0.00 O ATOM 13295 C2* G B 619 103.231 35.286 12.764 1.00 0.00 C ATOM 13296 O2* G B 619 102.283 34.234 12.722 1.00 0.00 O ATOM 13297 C1* G B 619 102.998 36.041 14.070 1.00 0.00 C ATOM 13298 N9 G B 619 103.366 37.739 14.002 1.00 0.00 N ATOM 13299 C8 G B 619 103.992 38.532 14.946 1.00 0.00 C ATOM 13300 N7 G B 619 103.973 39.812 14.662 1.00 0.00 N ATOM 13301 C5 G B 619 103.288 39.875 13.449 1.00 0.00 C ATOM 13302 C6 G B 619 102.953 40.993 12.646 1.00 0.00 C ATOM 13303 O6 G B 619 103.196 42.185 12.839 1.00 0.00 O ATOM 13304 N1 G B 619 102.255 40.606 11.497 1.00 0.00 N ATOM 13305 C2 G B 619 101.924 39.310 11.163 1.00 0.00 C ATOM 13306 N2 G B 619 101.253 39.147 10.015 1.00 0.00 N ATOM 13307 N3 G B 619 102.239 38.255 11.916 1.00 0.00 N ATOM 13308 C4 G B 619 102.915 38.614 13.040 1.00 0.00 C ATOM 13309 P G B 620 104.599 31.760 12.861 1.00 0.00 P ATOM 13310 O1P G B 620 105.221 31.652 14.198 1.00 0.00 O ATOM 13311 O2P G B 620 105.038 30.758 11.866 1.00 0.00 O ATOM 13312 O5* G B 620 102.767 31.746 13.091 1.00 0.00 O ATOM 13313 C5* G B 620 101.773 31.886 14.158 1.00 0.00 C ATOM 13314 C4* G B 620 100.640 30.702 14.527 1.00 0.00 C ATOM 13315 O4* G B 620 100.178 30.057 13.301 1.00 0.00 O ATOM 13316 C3* G B 620 101.239 29.554 15.341 1.00 0.00 C ATOM 13317 O3* G B 620 101.649 29.979 16.776 1.00 0.00 O ATOM 13318 C2* G B 620 100.311 28.393 14.995 1.00 0.00 C ATOM 13319 O2* G B 620 99.078 28.511 15.691 1.00 0.00 O ATOM 13320 C1* G B 620 100.012 28.666 13.524 1.00 0.00 C ATOM 13321 N9 G B 620 101.027 27.810 12.408 1.00 0.00 N ATOM 13322 C8 G B 620 101.211 26.454 12.265 1.00 0.00 C ATOM 13323 N7 G B 620 101.971 26.122 11.252 1.00 0.00 N ATOM 13324 C5 G B 620 102.319 27.346 10.682 1.00 0.00 C ATOM 13325 C6 G B 620 103.130 27.633 9.552 1.00 0.00 C ATOM 13326 O6 G B 620 103.719 26.854 8.808 1.00 0.00 O ATOM 13327 N1 G B 620 103.218 29.013 9.324 1.00 0.00 N ATOM 13328 C2 G B 620 102.602 29.988 10.083 1.00 0.00 C ATOM 13329 N2 G B 620 102.810 31.250 9.701 1.00 0.00 N ATOM 13330 N3 G B 620 101.841 29.718 11.140 1.00 0.00 N ATOM 13331 C4 G B 620 101.747 28.383 11.378 1.00 0.00 C ATOM 13332 P A B 621 100.801 30.307 18.407 1.00 0.00 P ATOM 13333 O1P A B 621 101.861 29.701 19.244 1.00 0.00 O ATOM 13334 O2P A B 621 99.412 29.954 18.772 1.00 0.00 O ATOM 13335 O5* A B 621 100.968 31.898 18.391 1.00 0.00 O ATOM 13336 C5* A B 621 101.998 32.499 19.197 1.00 0.00 C ATOM 13337 C4* A B 621 102.061 33.989 18.931 1.00 0.00 C ATOM 13338 O4* A B 621 102.536 34.210 17.573 1.00 0.00 O ATOM 13339 C3* A B 621 100.724 34.729 18.976 1.00 0.00 C ATOM 13340 O3* A B 621 100.376 35.082 20.279 1.00 0.00 O ATOM 13341 C2* A B 621 100.998 35.944 18.095 1.00 0.00 C ATOM 13342 O2* A B 621 101.779 36.902 18.786 1.00 0.00 O ATOM 13343 C1* A B 621 101.893 35.342 17.013 1.00 0.00 C ATOM 13344 N9 A B 621 101.149 34.899 15.802 1.00 0.00 N ATOM 13345 C8 A B 621 100.842 33.619 15.392 1.00 0.00 C ATOM 13346 N7 A B 621 100.176 33.567 14.279 1.00 0.00 N ATOM 13347 C5 A B 621 100.025 34.897 13.917 1.00 0.00 C ATOM 13348 C6 A B 621 99.401 35.517 12.823 1.00 0.00 C ATOM 13349 N6 A B 621 98.783 34.838 11.844 1.00 0.00 N ATOM 13350 N1 A B 621 99.434 36.861 12.767 1.00 0.00 N ATOM 13351 C2 A B 621 100.046 37.527 13.744 1.00 0.00 C ATOM 13352 N3 A B 621 100.661 37.063 14.811 1.00 0.00 N ATOM 13353 C4 A B 621 100.614 35.713 14.841 1.00 0.00 C ATOM 13354 P G B 622 98.796 35.087 20.696 1.00 0.00 P ATOM 13355 O1P G B 622 98.656 35.121 22.170 1.00 0.00 O ATOM 13356 O2P G B 622 98.101 33.980 20.005 1.00 0.00 O ATOM 13357 O5* G B 622 98.330 36.489 20.079 1.00 0.00 O ATOM 13358 C5* G B 622 98.950 37.700 20.547 1.00 0.00 C ATOM 13359 C4* G B 622 98.451 38.883 19.744 1.00 0.00 C ATOM 13360 O4* G B 622 98.944 38.767 18.377 1.00 0.00 O ATOM 13361 C3* G B 622 96.933 38.986 19.582 1.00 0.00 C ATOM 13362 O3* G B 622 96.344 39.610 20.675 1.00 0.00 O ATOM 13363 C2* G B 622 96.804 39.799 18.298 1.00 0.00 C ATOM 13364 O2* G B 622 97.070 41.171 18.540 1.00 0.00 O ATOM 13365 C1* G B 622 97.969 39.260 17.472 1.00 0.00 C ATOM 13366 N9 G B 622 97.591 38.150 16.555 1.00 0.00 N ATOM 13367 C8 G B 622 97.853 36.803 16.665 1.00 0.00 C ATOM 13368 N7 G B 622 97.375 36.084 15.675 1.00 0.00 N ATOM 13369 C5 G B 622 96.751 37.025 14.854 1.00 0.00 C ATOM 13370 C6 G B 622 96.057 36.846 13.631 1.00 0.00 C ATOM 13371 O6 G B 622 95.840 35.809 13.009 1.00 0.00 O ATOM 13372 N1 G B 622 95.581 38.067 13.133 1.00 0.00 N ATOM 13373 C2 G B 622 95.759 39.299 13.736 1.00 0.00 C ATOM 13374 N2 G B 622 95.229 40.345 13.099 1.00 0.00 N ATOM 13375 N3 G B 622 96.411 39.462 14.884 1.00 0.00 N ATOM 13376 C4 G B 622 96.878 38.287 15.383 1.00 0.00 C ATOM 13377 P C B 623 94.853 39.134 21.143 1.00 0.00 P ATOM 13378 O1P C B 623 94.560 39.636 22.506 1.00 0.00 O ATOM 13379 O2P C B 623 94.722 37.673 20.953 1.00 0.00 O ATOM 13380 O5* C B 623 93.944 39.903 20.075 1.00 0.00 O ATOM 13381 C5* C B 623 93.990 41.341 20.025 1.00 0.00 C ATOM 13382 C4* C B 623 93.152 41.847 18.866 1.00 0.00 C ATOM 13383 O4* C B 623 93.790 41.454 17.617 1.00 0.00 O ATOM 13384 C3* C B 623 91.742 41.262 18.759 1.00 0.00 C ATOM 13385 O3* C B 623 90.843 41.949 19.572 1.00 0.00 O ATOM 13386 C2* C B 623 91.440 41.432 17.272 1.00 0.00 C ATOM 13387 O2* C B 623 91.121 42.782 16.973 1.00 0.00 O ATOM 13388 C1* C B 623 92.802 41.149 16.646 1.00 0.00 C ATOM 13389 N1 C B 623 92.986 39.730 16.230 1.00 0.00 N ATOM 13390 C2 C B 623 92.320 39.298 15.088 1.00 0.00 C ATOM 13391 O2 C B 623 91.607 40.102 14.473 1.00 0.00 O ATOM 13392 N3 C B 623 92.473 38.010 14.691 1.00 0.00 N ATOM 13393 C4 C B 623 93.254 37.170 15.384 1.00 0.00 C ATOM 13394 N4 C B 623 93.370 35.922 14.955 1.00 0.00 N ATOM 13395 C5 C B 623 93.948 37.598 16.562 1.00 0.00 C ATOM 13396 C6 C B 623 93.780 38.888 16.942 1.00 0.00 C ATOM 13397 P C B 624 89.618 41.116 20.262 1.00 0.00 P ATOM 13398 O1P C B 624 89.010 41.913 21.352 1.00 0.00 O ATOM 13399 O2P C B 624 90.091 39.765 20.637 1.00 0.00 O ATOM 13400 O5* C B 624 88.597 41.013 19.035 1.00 0.00 O ATOM 13401 C5* C B 624 88.082 42.224 18.451 1.00 0.00 C ATOM 13402 C4* C B 624 87.241 41.895 17.235 1.00 0.00 C ATOM 13403 O4* C B 624 88.109 41.368 16.188 1.00 0.00 O ATOM 13404 C3* C B 624 86.190 40.799 17.425 1.00 0.00 C ATOM 13405 O3* C B 624 85.015 41.309 17.973 1.00 0.00 O ATOM 13406 C2* C B 624 86.002 40.283 16.000 1.00 0.00 C ATOM 13407 O2* C B 624 85.215 41.183 15.239 1.00 0.00 O ATOM 13408 C1* C B 624 87.425 40.366 15.454 1.00 0.00 C ATOM 13409 N1 C B 624 88.192 39.095 15.587 1.00 0.00 N ATOM 13410 C2 C B 624 87.871 38.053 14.725 1.00 0.00 C ATOM 13411 O2 C B 624 86.971 38.220 13.894 1.00 0.00 O ATOM 13412 N3 C B 624 88.556 36.885 14.830 1.00 0.00 N ATOM 13413 C4 C B 624 89.526 36.742 15.742 1.00 0.00 C ATOM 13414 N4 C B 624 90.166 35.585 15.803 1.00 0.00 N ATOM 13415 C5 C B 624 89.872 37.805 16.639 1.00 0.00 C ATOM 13416 C6 C B 624 89.174 38.961 16.518 1.00 0.00 C ATOM 13417 P G B 625 84.663 41.076 19.778 1.00 0.00 P ATOM 13418 O1P G B 625 85.891 41.200 20.591 1.00 0.00 O ATOM 13419 O2P G B 625 83.874 39.838 19.983 1.00 0.00 O ATOM 13420 O5* G B 625 83.593 42.562 20.023 1.00 0.00 O ATOM 13421 C5* G B 625 83.406 43.661 20.976 1.00 0.00 C ATOM 13422 C4* G B 625 81.893 44.128 21.432 1.00 0.00 C ATOM 13423 O4* G B 625 81.082 43.103 22.072 1.00 0.00 O ATOM 13424 C3* G B 625 81.589 45.388 22.237 1.00 0.00 C ATOM 13425 O3* G B 625 81.838 46.825 21.636 1.00 0.00 O ATOM 13426 C2* G B 625 80.109 45.210 22.568 1.00 0.00 C ATOM 13427 O2* G B 625 79.300 45.496 21.440 1.00 0.00 O ATOM 13428 C1* G B 625 80.028 43.705 22.804 1.00 0.00 C ATOM 13429 N9 G B 625 80.173 43.222 24.473 1.00 0.00 N ATOM 13430 C8 G B 625 81.228 42.609 25.111 1.00 0.00 C ATOM 13431 N7 G B 625 80.981 42.274 26.354 1.00 0.00 N ATOM 13432 C5 G B 625 79.664 42.699 26.552 1.00 0.00 C ATOM 13433 C6 G B 625 78.841 42.616 27.706 1.00 0.00 C ATOM 13434 O6 G B 625 79.103 42.139 28.805 1.00 0.00 O ATOM 13435 N1 G B 625 77.577 43.169 27.471 1.00 0.00 N ATOM 13436 C2 G B 625 77.159 43.735 26.281 1.00 0.00 C ATOM 13437 N2 G B 625 75.914 44.207 26.264 1.00 0.00 N ATOM 13438 N3 G B 625 77.935 43.814 25.204 1.00 0.00 N ATOM 13439 C4 G B 625 79.166 43.278 25.408 1.00 0.00 C ATOM 13440 P A B 626 83.010 47.200 20.252 1.00 0.00 P ATOM 13441 O1P A B 626 82.934 46.159 19.209 1.00 0.00 O ATOM 13442 O2P A B 626 84.363 47.472 20.793 1.00 0.00 O ATOM 13443 O5* A B 626 82.265 48.783 19.623 1.00 0.00 O ATOM 13444 C5* A B 626 82.052 49.873 18.622 1.00 0.00 C ATOM 13445 C4* A B 626 82.472 51.421 19.068 1.00 0.00 C ATOM 13446 O4* A B 626 83.367 51.318 20.211 1.00 0.00 O ATOM 13447 C3* A B 626 83.064 52.560 18.238 1.00 0.00 C ATOM 13448 O3* A B 626 82.531 53.270 16.938 1.00 0.00 O ATOM 13449 C2* A B 626 83.579 53.509 19.312 1.00 0.00 C ATOM 13450 O2* A B 626 82.510 54.226 19.906 1.00 0.00 O ATOM 13451 C1* A B 626 84.091 52.529 20.364 1.00 0.00 C ATOM 13452 N9 A B 626 85.736 52.181 20.258 1.00 0.00 N ATOM 13453 C8 A B 626 86.350 50.947 20.241 1.00 0.00 C ATOM 13454 N7 A B 626 87.641 51.001 20.338 1.00 0.00 N ATOM 13455 C5 A B 626 87.916 52.357 20.428 1.00 0.00 C ATOM 13456 C6 A B 626 89.116 53.079 20.547 1.00 0.00 C ATOM 13457 N6 A B 626 90.320 52.494 20.603 1.00 0.00 N ATOM 13458 N1 A B 626 89.033 54.418 20.612 1.00 0.00 N ATOM 13459 C2 A B 626 87.827 54.988 20.559 1.00 0.00 C ATOM 13460 N3 A B 626 86.644 54.428 20.444 1.00 0.00 N ATOM 13461 C4 A B 626 86.760 53.081 20.379 1.00 0.00 C ATOM 13462 P A B 627 81.136 54.529 16.861 1.00 0.00 P ATOM 13463 O1P A B 627 80.569 54.733 18.201 1.00 0.00 O ATOM 13464 O2P A B 627 80.175 54.051 15.818 1.00 0.00 O ATOM 13465 O5* A B 627 81.865 56.156 16.247 1.00 0.00 O ATOM 13466 C5* A B 627 81.375 57.558 15.907 1.00 0.00 C ATOM 13467 C4* A B 627 82.354 58.703 15.170 1.00 0.00 C ATOM 13468 O4* A B 627 83.393 58.025 14.411 1.00 0.00 O ATOM 13469 C3* A B 627 82.018 59.931 14.326 1.00 0.00 C ATOM 13470 O3* A B 627 80.986 61.058 14.579 1.00 0.00 O ATOM 13471 C2* A B 627 83.387 60.309 13.752 1.00 0.00 C ATOM 13472 O2* A B 627 84.180 60.949 14.731 1.00 0.00 O ATOM 13473 C1* A B 627 84.008 58.935 13.510 1.00 0.00 C ATOM 13474 N9 A B 627 83.816 58.342 11.944 1.00 0.00 N ATOM 13475 C8 A B 627 84.249 58.900 10.757 1.00 0.00 C ATOM 13476 N7 A B 627 84.152 58.115 9.731 1.00 0.00 N ATOM 13477 C5 A B 627 83.616 56.947 10.262 1.00 0.00 C ATOM 13478 C6 A B 627 83.271 55.718 9.677 1.00 0.00 C ATOM 13479 N6 A B 627 83.418 55.457 8.363 1.00 0.00 N ATOM 13480 N1 A B 627 82.755 54.774 10.479 1.00 0.00 N ATOM 13481 C2 A B 627 82.605 55.045 11.773 1.00 0.00 C ATOM 13482 N3 A B 627 82.891 56.149 12.431 1.00 0.00 N ATOM 13483 C4 A B 627 83.405 57.077 11.603 1.00 0.00 C ATOM 13484 P G B 628 81.162 62.933 14.581 1.00 0.00 P ATOM 13485 O1P G B 628 82.470 63.602 14.755 1.00 0.00 O ATOM 13486 O2P G B 628 80.154 63.210 15.630 1.00 0.00 O ATOM 13487 O5* G B 628 80.557 63.292 13.145 1.00 0.00 O ATOM 13488 C5* G B 628 81.164 64.347 12.377 1.00 0.00 C ATOM 13489 C4* G B 628 80.518 64.431 11.009 1.00 0.00 C ATOM 13490 O4* G B 628 80.860 63.235 10.252 1.00 0.00 O ATOM 13491 C3* G B 628 78.988 64.450 10.993 1.00 0.00 C ATOM 13492 O3* G B 628 78.492 65.736 11.192 1.00 0.00 O ATOM 13493 C2* G B 628 78.676 63.905 9.601 1.00 0.00 C ATOM 13494 O2* G B 628 78.896 64.896 8.613 1.00 0.00 O ATOM 13495 C1* G B 628 79.768 62.855 9.428 1.00 0.00 C ATOM 13496 N9 G B 628 79.347 61.484 9.828 1.00 0.00 N ATOM 13497 C8 G B 628 79.689 60.760 10.948 1.00 0.00 C ATOM 13498 N7 G B 628 79.141 59.568 11.002 1.00 0.00 N ATOM 13499 C5 G B 628 78.384 59.499 9.831 1.00 0.00 C ATOM 13500 C6 G B 628 77.566 58.453 9.336 1.00 0.00 C ATOM 13501 O6 G B 628 77.337 57.353 9.831 1.00 0.00 O ATOM 13502 N1 G B 628 76.978 58.801 8.111 1.00 0.00 N ATOM 13503 C2 G B 628 77.157 60.004 7.455 1.00 0.00 C ATOM 13504 N2 G B 628 76.507 60.142 6.297 1.00 0.00 N ATOM 13505 N3 G B 628 77.923 60.986 7.924 1.00 0.00 N ATOM 13506 C4 G B 628 78.503 60.663 9.109 1.00 0.00 C ATOM 13507 P G B 629 77.088 65.919 12.007 1.00 0.00 P ATOM 13508 O1P G B 629 76.922 67.329 12.431 1.00 0.00 O ATOM 13509 O2P G B 629 77.013 64.909 13.086 1.00 0.00 O ATOM 13510 O5* G B 629 76.029 65.569 10.862 1.00 0.00 O ATOM 13511 C5* G B 629 75.995 66.377 9.672 1.00 0.00 C ATOM 13512 C4* G B 629 75.011 65.792 8.678 1.00 0.00 C ATOM 13513 O4* G B 629 75.524 64.518 8.196 1.00 0.00 O ATOM 13514 C3* G B 629 73.628 65.446 9.234 1.00 0.00 C ATOM 13515 O3* G B 629 72.791 66.556 9.252 1.00 0.00 O ATOM 13516 C2* G B 629 73.153 64.365 8.262 1.00 0.00 C ATOM 13517 O2* G B 629 72.736 64.943 7.034 1.00 0.00 O ATOM 13518 C1* G B 629 74.452 63.615 7.978 1.00 0.00 C ATOM 13519 N9 G B 629 74.660 62.430 8.857 1.00 0.00 N ATOM 13520 C8 G B 629 75.527 62.274 9.917 1.00 0.00 C ATOM 13521 N7 G B 629 75.463 61.096 10.488 1.00 0.00 N ATOM 13522 C5 G B 629 74.489 60.423 9.752 1.00 0.00 C ATOM 13523 C6 G B 629 73.983 59.107 9.898 1.00 0.00 C ATOM 13524 O6 G B 629 74.295 58.246 10.718 1.00 0.00 O ATOM 13525 N1 G B 629 72.997 58.828 8.942 1.00 0.00 N ATOM 13526 C2 G B 629 72.558 59.707 7.970 1.00 0.00 C ATOM 13527 N2 G B 629 71.610 59.251 7.151 1.00 0.00 N ATOM 13528 N3 G B 629 73.034 60.943 7.834 1.00 0.00 N ATOM 13529 C4 G B 629 73.993 61.230 8.757 1.00 0.00 C ATOM 13530 P G B 630 71.796 66.915 10.761 1.00 0.00 P ATOM 13531 O1P G B 630 71.346 68.325 10.743 1.00 0.00 O ATOM 13532 O2P G B 630 72.498 66.477 11.991 1.00 0.00 O ATOM 13533 O5* G B 630 70.392 65.810 10.347 1.00 0.00 O ATOM 13534 C5* G B 630 69.038 65.473 10.769 1.00 0.00 C ATOM 13535 C4* G B 630 67.856 65.892 9.708 1.00 0.00 C ATOM 13536 O4* G B 630 68.379 66.544 8.516 1.00 0.00 O ATOM 13537 C3* G B 630 66.834 64.891 9.166 1.00 0.00 C ATOM 13538 O3* G B 630 65.877 64.038 10.014 1.00 0.00 O ATOM 13539 C2* G B 630 66.240 65.651 7.982 1.00 0.00 C ATOM 13540 O2* G B 630 65.329 66.645 8.423 1.00 0.00 O ATOM 13541 C1* G B 630 67.467 66.383 7.440 1.00 0.00 C ATOM 13542 N9 G B 630 68.281 65.570 6.158 1.00 0.00 N ATOM 13543 C8 G B 630 69.620 65.287 6.020 1.00 0.00 C ATOM 13544 N7 G B 630 69.912 64.598 4.942 1.00 0.00 N ATOM 13545 C5 G B 630 68.677 64.414 4.321 1.00 0.00 C ATOM 13546 C6 G B 630 68.349 63.746 3.118 1.00 0.00 C ATOM 13547 O6 G B 630 69.097 63.164 2.334 1.00 0.00 O ATOM 13548 N1 G B 630 66.974 63.795 2.857 1.00 0.00 N ATOM 13549 C2 G B 630 66.039 64.414 3.658 1.00 0.00 C ATOM 13550 N2 G B 630 64.773 64.354 3.237 1.00 0.00 N ATOM 13551 N3 G B 630 66.342 65.045 4.790 1.00 0.00 N ATOM 13552 C4 G B 630 67.673 65.004 5.057 1.00 0.00 C ATOM 13553 P A B 631 65.428 64.482 11.730 1.00 0.00 P ATOM 13554 O1P A B 631 64.990 65.892 11.871 1.00 0.00 O ATOM 13555 O2P A B 631 66.461 64.033 12.688 1.00 0.00 O ATOM 13556 O5* A B 631 64.002 63.340 11.721 1.00 0.00 O ATOM 13557 C5* A B 631 62.744 62.653 11.901 1.00 0.00 C ATOM 13558 C4* A B 631 61.714 62.847 10.643 1.00 0.00 C ATOM 13559 O4* A B 631 61.146 64.180 10.502 1.00 0.00 O ATOM 13560 C3* A B 631 62.180 62.489 9.231 1.00 0.00 C ATOM 13561 O3* A B 631 62.530 60.996 8.995 1.00 0.00 O ATOM 13562 C2* A B 631 61.098 63.134 8.370 1.00 0.00 C ATOM 13563 O2* A B 631 59.911 62.363 8.389 1.00 0.00 O ATOM 13564 C1* A B 631 60.808 64.414 9.145 1.00 0.00 C ATOM 13565 N9 A B 631 61.659 65.762 8.613 1.00 0.00 N ATOM 13566 C8 A B 631 62.463 66.606 9.343 1.00 0.00 C ATOM 13567 N7 A B 631 62.829 67.674 8.709 1.00 0.00 N ATOM 13568 C5 A B 631 62.228 67.544 7.465 1.00 0.00 C ATOM 13569 C6 A B 631 62.234 68.359 6.321 1.00 0.00 C ATOM 13570 N6 A B 631 62.893 69.522 6.242 1.00 0.00 N ATOM 13571 N1 A B 631 61.534 67.928 5.255 1.00 0.00 N ATOM 13572 C2 A B 631 60.883 66.770 5.336 1.00 0.00 C ATOM 13573 N3 A B 631 60.804 65.927 6.347 1.00 0.00 N ATOM 13574 C4 A B 631 61.515 66.381 7.397 1.00 0.00 C ATOM 13575 P A B 632 61.285 59.685 9.346 1.00 0.00 P ATOM 13576 O1P A B 632 60.594 59.270 8.106 1.00 0.00 O ATOM 13577 O2P A B 632 60.408 60.012 10.494 1.00 0.00 O ATOM 13578 O5* A B 632 62.545 58.454 9.827 1.00 0.00 O ATOM 13579 C5* A B 632 62.828 57.174 9.233 1.00 0.00 C ATOM 13580 C4* A B 632 63.834 57.317 7.961 1.00 0.00 C ATOM 13581 O4* A B 632 63.999 58.662 7.422 1.00 0.00 O ATOM 13582 C3* A B 632 65.262 56.780 8.049 1.00 0.00 C ATOM 13583 O3* A B 632 65.509 55.336 8.435 1.00 0.00 O ATOM 13584 C2* A B 632 65.914 57.397 6.814 1.00 0.00 C ATOM 13585 O2* A B 632 65.515 56.710 5.640 1.00 0.00 O ATOM 13586 C1* A B 632 65.247 58.771 6.767 1.00 0.00 C ATOM 13587 N9 A B 632 66.127 60.004 7.505 1.00 0.00 N ATOM 13588 C8 A B 632 65.850 60.667 8.679 1.00 0.00 C ATOM 13589 N7 A B 632 66.792 61.475 9.062 1.00 0.00 N ATOM 13590 C5 A B 632 67.764 61.348 8.084 1.00 0.00 C ATOM 13591 C6 A B 632 69.023 61.942 7.906 1.00 0.00 C ATOM 13592 N6 A B 632 69.540 62.836 8.760 1.00 0.00 N ATOM 13593 N1 A B 632 69.736 61.588 6.820 1.00 0.00 N ATOM 13594 C2 A B 632 69.214 60.695 5.974 1.00 0.00 C ATOM 13595 N3 A B 632 68.057 60.075 6.031 1.00 0.00 N ATOM 13596 C4 A B 632 67.366 60.446 7.128 1.00 0.00 C ATOM 13597 P A B 633 66.615 55.156 9.876 1.00 0.00 P ATOM 13598 O1P A B 633 66.044 55.695 11.128 1.00 0.00 O ATOM 13599 O2P A B 633 67.997 55.590 9.559 1.00 0.00 O ATOM 13600 O5* A B 633 66.418 53.356 9.758 1.00 0.00 O ATOM 13601 C5* A B 633 67.246 52.217 9.540 1.00 0.00 C ATOM 13602 C4* A B 633 68.493 52.146 10.571 1.00 0.00 C ATOM 13603 O4* A B 633 68.658 53.181 11.588 1.00 0.00 O ATOM 13604 C3* A B 633 68.834 50.848 11.312 1.00 0.00 C ATOM 13605 O3* A B 633 68.906 49.640 10.362 1.00 0.00 O ATOM 13606 C2* A B 633 69.952 51.300 12.249 1.00 0.00 C ATOM 13607 O2* A B 633 71.169 51.458 11.544 1.00 0.00 O ATOM 13608 C1* A B 633 69.486 52.703 12.635 1.00 0.00 C ATOM 13609 N9 A B 633 68.620 52.783 14.074 1.00 0.00 N ATOM 13610 C8 A B 633 67.749 51.852 14.605 1.00 0.00 C ATOM 13611 N7 A B 633 67.081 52.273 15.628 1.00 0.00 N ATOM 13612 C5 A B 633 67.532 53.575 15.802 1.00 0.00 C ATOM 13613 C6 A B 633 67.201 54.571 16.738 1.00 0.00 C ATOM 13614 N6 A B 633 66.299 54.401 17.716 1.00 0.00 N ATOM 13615 N1 A B 633 67.837 55.753 16.631 1.00 0.00 N ATOM 13616 C2 A B 633 68.733 55.916 15.661 1.00 0.00 C ATOM 13617 N3 A B 633 69.116 55.066 14.733 1.00 0.00 N ATOM 13618 C4 A B 633 68.469 53.889 14.863 1.00 0.00 C ATOM 13619 P C B 634 70.453 49.371 9.402 1.00 0.00 P ATOM 13620 O1P C B 634 70.476 48.062 8.710 1.00 0.00 O ATOM 13621 O2P C B 634 71.589 49.641 10.310 1.00 0.00 O ATOM 13622 O5* C B 634 70.326 50.547 8.324 1.00 0.00 O ATOM 13623 C5* C B 634 69.228 50.529 7.397 1.00 0.00 C ATOM 13624 C4* C B 634 69.231 51.790 6.559 1.00 0.00 C ATOM 13625 O4* C B 634 68.921 52.927 7.417 1.00 0.00 O ATOM 13626 C3* C B 634 70.576 52.167 5.928 1.00 0.00 C ATOM 13627 O3* C B 634 70.780 51.494 4.727 1.00 0.00 O ATOM 13628 C2* C B 634 70.430 53.676 5.743 1.00 0.00 C ATOM 13629 O2* C B 634 69.600 53.967 4.631 1.00 0.00 O ATOM 13630 C1* C B 634 69.650 54.067 6.993 1.00 0.00 C ATOM 13631 N1 C B 634 70.518 54.503 8.126 1.00 0.00 N ATOM 13632 C2 C B 634 71.106 55.762 8.043 1.00 0.00 C ATOM 13633 O2 C B 634 70.891 56.458 7.043 1.00 0.00 O ATOM 13634 N3 C B 634 71.898 56.180 9.062 1.00 0.00 N ATOM 13635 C4 C B 634 72.107 55.396 10.128 1.00 0.00 C ATOM 13636 N4 C B 634 72.887 55.850 11.097 1.00 0.00 N ATOM 13637 C5 C B 634 71.508 54.100 10.233 1.00 0.00 C ATOM 13638 C6 C B 634 70.720 53.700 9.203 1.00 0.00 C ATOM 13639 P C B 635 72.300 51.063 4.319 1.00 0.00 P ATOM 13640 O1P C B 635 72.277 50.062 3.230 1.00 0.00 O ATOM 13641 O2P C B 635 73.044 50.668 5.538 1.00 0.00 O ATOM 13642 O5* C B 635 72.870 52.452 3.764 1.00 0.00 O ATOM 13643 C5* C B 635 72.228 53.066 2.629 1.00 0.00 C ATOM 13644 C4* C B 635 72.845 54.422 2.357 1.00 0.00 C ATOM 13645 O4* C B 635 72.510 55.322 3.452 1.00 0.00 O ATOM 13646 C3* C B 635 74.374 54.461 2.306 1.00 0.00 C ATOM 13647 O3* C B 635 74.851 54.106 1.048 1.00 0.00 O ATOM 13648 C2* C B 635 74.669 55.917 2.659 1.00 0.00 C ATOM 13649 O2* C B 635 74.411 56.766 1.553 1.00 0.00 O ATOM 13650 C1* C B 635 73.591 56.206 3.699 1.00 0.00 C ATOM 13651 N1 C B 635 74.044 55.996 5.103 1.00 0.00 N ATOM 13652 C2 C B 635 74.901 56.943 5.658 1.00 0.00 C ATOM 13653 O2 C B 635 75.247 57.909 4.968 1.00 0.00 O ATOM 13654 N3 C B 635 75.325 56.770 6.936 1.00 0.00 N ATOM 13655 C4 C B 635 74.927 55.708 7.650 1.00 0.00 C ATOM 13656 N4 C B 635 75.369 55.585 8.892 1.00 0.00 N ATOM 13657 C5 C B 635 74.049 54.724 7.097 1.00 0.00 C ATOM 13658 C6 C B 635 73.635 54.914 5.821 1.00 0.00 C ATOM 13659 P G B 636 76.637 53.673 0.885 1.00 0.00 P ATOM 13660 O1P G B 636 77.420 54.870 0.513 1.00 0.00 O ATOM 13661 O2P G B 636 76.808 52.499 0.012 1.00 0.00 O ATOM 13662 O5* G B 636 76.914 53.221 2.636 1.00 0.00 O ATOM 13663 C5* G B 636 77.651 53.748 3.756 1.00 0.00 C ATOM 13664 C4* G B 636 78.710 52.772 4.547 1.00 0.00 C ATOM 13665 O4* G B 636 79.756 53.514 5.241 1.00 0.00 O ATOM 13666 C3* G B 636 78.253 51.732 5.571 1.00 0.00 C ATOM 13667 O3* G B 636 77.107 50.713 5.411 1.00 0.00 O ATOM 13668 C2* G B 636 79.558 51.384 6.282 1.00 0.00 C ATOM 13669 O2* G B 636 80.356 50.531 5.475 1.00 0.00 O ATOM 13670 C1* G B 636 80.258 52.739 6.319 1.00 0.00 C ATOM 13671 N9 G B 636 80.028 53.630 7.783 1.00 0.00 N ATOM 13672 C8 G B 636 80.217 54.972 8.023 1.00 0.00 C ATOM 13673 N7 G B 636 79.847 55.361 9.218 1.00 0.00 N ATOM 13674 C5 G B 636 79.368 54.196 9.808 1.00 0.00 C ATOM 13675 C6 G B 636 78.822 53.986 11.103 1.00 0.00 C ATOM 13676 O6 G B 636 78.650 54.798 12.004 1.00 0.00 O ATOM 13677 N1 G B 636 78.463 52.645 11.293 1.00 0.00 N ATOM 13678 C2 G B 636 78.606 51.636 10.357 1.00 0.00 C ATOM 13679 N2 G B 636 78.205 50.422 10.733 1.00 0.00 N ATOM 13680 N3 G B 636 79.118 51.835 9.145 1.00 0.00 N ATOM 13681 C4 G B 636 79.475 53.132 8.945 1.00 0.00 C ATOM 13682 P A B 637 77.195 49.506 4.022 1.00 0.00 P ATOM 13683 O1P A B 637 78.505 48.811 3.999 1.00 0.00 O ATOM 13684 O2P A B 637 76.806 50.188 2.770 1.00 0.00 O ATOM 13685 O5* A B 637 75.864 48.335 4.555 1.00 0.00 O ATOM 13686 C5* A B 637 75.048 47.165 4.134 1.00 0.00 C ATOM 13687 C4* A B 637 74.101 46.361 5.248 1.00 0.00 C ATOM 13688 O4* A B 637 74.733 46.850 6.464 1.00 0.00 O ATOM 13689 C3* A B 637 72.614 46.649 5.469 1.00 0.00 C ATOM 13690 O3* A B 637 71.403 45.753 4.770 1.00 0.00 O ATOM 13691 C2* A B 637 72.455 46.399 6.965 1.00 0.00 C ATOM 13692 O2* A B 637 72.432 45.011 7.243 1.00 0.00 O ATOM 13693 C1* A B 637 73.777 46.935 7.510 1.00 0.00 C ATOM 13694 N9 A B 637 73.719 48.551 8.055 1.00 0.00 N ATOM 13695 C8 A B 637 73.292 49.669 7.373 1.00 0.00 C ATOM 13696 N7 A B 637 73.549 50.786 7.977 1.00 0.00 N ATOM 13697 C5 A B 637 74.192 50.396 9.143 1.00 0.00 C ATOM 13698 C6 A B 637 74.726 51.123 10.222 1.00 0.00 C ATOM 13699 N6 A B 637 74.692 52.461 10.298 1.00 0.00 N ATOM 13700 N1 A B 637 75.296 50.423 11.220 1.00 0.00 N ATOM 13701 C2 A B 637 75.325 49.095 11.136 1.00 0.00 C ATOM 13702 N3 A B 637 74.867 48.310 10.185 1.00 0.00 N ATOM 13703 C4 A B 637 74.297 49.038 9.197 1.00 0.00 C ATOM 13704 P G B 638 70.669 45.095 3.130 1.00 0.00 P ATOM 13705 O1P G B 638 69.191 45.084 3.196 1.00 0.00 O ATOM 13706 O2P G B 638 71.309 43.806 2.789 1.00 0.00 O ATOM 13707 O5* G B 638 71.155 46.227 2.105 1.00 0.00 O ATOM 13708 C5* G B 638 70.428 47.468 2.039 1.00 0.00 C ATOM 13709 C4* G B 638 71.128 48.431 1.104 1.00 0.00 C ATOM 13710 O4* G B 638 72.399 48.825 1.698 1.00 0.00 O ATOM 13711 C3* G B 638 71.522 47.867 -0.262 1.00 0.00 C ATOM 13712 O3* G B 638 70.460 47.926 -1.164 1.00 0.00 O ATOM 13713 C2* G B 638 72.685 48.772 -0.662 1.00 0.00 C ATOM 13714 O2* G B 638 72.212 50.036 -1.094 1.00 0.00 O ATOM 13715 C1* G B 638 73.373 48.996 0.682 1.00 0.00 C ATOM 13716 N9 G B 638 74.488 48.040 0.949 1.00 0.00 N ATOM 13717 C8 G B 638 74.525 46.963 1.809 1.00 0.00 C ATOM 13718 N7 G B 638 75.667 46.319 1.808 1.00 0.00 N ATOM 13719 C5 G B 638 76.441 47.018 0.882 1.00 0.00 C ATOM 13720 C6 G B 638 77.772 46.796 0.452 1.00 0.00 C ATOM 13721 O6 G B 638 78.561 45.920 0.804 1.00 0.00 O ATOM 13722 N1 G B 638 78.167 47.742 -0.503 1.00 0.00 N ATOM 13723 C2 G B 638 77.379 48.770 -0.981 1.00 0.00 C ATOM 13724 N2 G B 638 77.943 49.569 -1.890 1.00 0.00 N ATOM 13725 N3 G B 638 76.130 48.980 -0.574 1.00 0.00 N ATOM 13726 C4 G B 638 75.729 48.069 0.352 1.00 0.00 C ATOM 13727 P U B 639 70.312 46.746 -2.282 1.00 0.00 P ATOM 13728 O1P U B 639 68.963 46.778 -2.886 1.00 0.00 O ATOM 13729 O2P U B 639 70.723 45.454 -1.691 1.00 0.00 O ATOM 13730 O5* U B 639 71.400 47.216 -3.359 1.00 0.00 O ATOM 13731 C5* U B 639 71.241 48.496 -3.996 1.00 0.00 C ATOM 13732 C4* U B 639 72.440 48.789 -4.878 1.00 0.00 C ATOM 13733 O4* U B 639 73.610 48.985 -4.034 1.00 0.00 O ATOM 13734 C3* U B 639 72.856 47.667 -5.831 1.00 0.00 C ATOM 13735 O3* U B 639 72.112 47.695 -7.009 1.00 0.00 O ATOM 13736 C2* U B 639 74.333 47.975 -6.057 1.00 0.00 C ATOM 13737 O2* U B 639 74.489 49.063 -6.952 1.00 0.00 O ATOM 13738 C1* U B 639 74.762 48.466 -4.679 1.00 0.00 C ATOM 13739 N1 U B 639 75.337 47.401 -3.814 1.00 0.00 N ATOM 13740 C2 U B 639 76.660 47.088 -3.999 1.00 0.00 C ATOM 13741 O2 U B 639 77.363 47.643 -4.829 1.00 0.00 O ATOM 13742 N3 U B 639 77.157 46.096 -3.178 1.00 0.00 N ATOM 13743 C4 U B 639 76.455 45.405 -2.211 1.00 0.00 C ATOM 13744 O4 U B 639 77.010 44.535 -1.537 1.00 0.00 O ATOM 13745 C5 U B 639 75.073 45.800 -2.091 1.00 0.00 C ATOM 13746 C6 U B 639 74.563 46.763 -2.877 1.00 0.00 C ATOM 13747 P C B 640 71.756 46.282 -7.743 1.00 0.00 P ATOM 13748 O1P C B 640 70.678 46.483 -8.740 1.00 0.00 O ATOM 13749 O2P C B 640 71.499 45.245 -6.720 1.00 0.00 O ATOM 13750 O5* C B 640 73.136 45.975 -8.493 1.00 0.00 O ATOM 13751 C5* C B 640 73.621 46.911 -9.473 1.00 0.00 C ATOM 13752 C4* C B 640 74.992 46.488 -9.957 1.00 0.00 C ATOM 13753 O4* C B 640 75.944 46.630 -8.865 1.00 0.00 O ATOM 13754 C3* C B 640 75.129 45.022 -10.375 1.00 0.00 C ATOM 13755 O3* C B 640 74.716 44.824 -11.691 1.00 0.00 O ATOM 13756 C2* C B 640 76.624 44.773 -10.180 1.00 0.00 C ATOM 13757 O2* C B 640 77.370 45.353 -11.238 1.00 0.00 O ATOM 13758 C1* C B 640 76.913 45.596 -8.930 1.00 0.00 C ATOM 13759 N1 C B 640 76.835 44.811 -7.667 1.00 0.00 N ATOM 13760 C2 C B 640 77.875 43.928 -7.385 1.00 0.00 C ATOM 13761 O2 C B 640 78.811 43.834 -8.186 1.00 0.00 O ATOM 13762 N3 C B 640 77.823 43.204 -6.239 1.00 0.00 N ATOM 13763 C4 C B 640 76.791 43.336 -5.395 1.00 0.00 C ATOM 13764 N4 C B 640 76.789 42.607 -4.290 1.00 0.00 N ATOM 13765 C5 C B 640 75.714 44.237 -5.665 1.00 0.00 C ATOM 13766 C6 C B 640 75.785 44.951 -6.817 1.00 0.00 C ATOM 13767 P U B 641 74.000 43.413 -12.085 1.00 0.00 P ATOM 13768 O1P U B 641 73.315 43.533 -13.393 1.00 0.00 O ATOM 13769 O2P U B 641 73.157 42.958 -10.957 1.00 0.00 O ATOM 13770 O5* U B 641 75.276 42.458 -12.227 1.00 0.00 O ATOM 13771 C5* U B 641 76.277 42.772 -13.210 1.00 0.00 C ATOM 13772 C4* U B 641 77.446 41.816 -13.086 1.00 0.00 C ATOM 13773 O4* U B 641 78.129 42.068 -11.824 1.00 0.00 O ATOM 13774 C3* U B 641 77.087 40.331 -13.015 1.00 0.00 C ATOM 13775 O3* U B 641 76.913 39.788 -14.287 1.00 0.00 O ATOM 13776 C2* U B 641 78.290 39.744 -12.284 1.00 0.00 C ATOM 13777 O2* U B 641 79.406 39.638 -13.156 1.00 0.00 O ATOM 13778 C1* U B 641 78.612 40.850 -11.284 1.00 0.00 C ATOM 13779 N1 U B 641 77.976 40.653 -9.951 1.00 0.00 N ATOM 13780 C2 U B 641 78.514 39.684 -9.136 1.00 0.00 C ATOM 13781 O2 U B 641 79.468 39.000 -9.466 1.00 0.00 O ATOM 13782 N3 U B 641 77.900 39.532 -7.912 1.00 0.00 N ATOM 13783 C4 U B 641 76.818 40.250 -7.443 1.00 0.00 C ATOM 13784 O4 U B 641 76.353 40.023 -6.321 1.00 0.00 O ATOM 13785 C5 U B 641 76.323 41.242 -8.366 1.00 0.00 C ATOM 13786 C6 U B 641 76.902 41.411 -9.565 1.00 0.00 C ATOM 13787 P U B 642 75.252 39.983 -15.053 1.00 0.00 P ATOM 13788 O1P U B 642 75.356 40.794 -16.286 1.00 0.00 O ATOM 13789 O2P U B 642 74.213 40.407 -14.089 1.00 0.00 O ATOM 13790 O5* U B 642 75.085 38.222 -15.471 1.00 0.00 O ATOM 13791 C5* U B 642 75.130 36.808 -15.559 1.00 0.00 C ATOM 13792 C4* U B 642 76.252 36.216 -14.559 1.00 0.00 C ATOM 13793 O4* U B 642 76.824 37.108 -13.563 1.00 0.00 O ATOM 13794 C3* U B 642 76.103 34.884 -13.823 1.00 0.00 C ATOM 13795 O3* U B 642 75.819 33.672 -14.708 1.00 0.00 O ATOM 13796 C2* U B 642 77.335 34.879 -12.923 1.00 0.00 C ATOM 13797 O2* U B 642 78.499 34.560 -13.665 1.00 0.00 O ATOM 13798 C1* U B 642 77.445 36.351 -12.535 1.00 0.00 C ATOM 13799 N1 U B 642 76.709 36.751 -11.060 1.00 0.00 N ATOM 13800 C2 U B 642 77.328 36.312 -9.912 1.00 0.00 C ATOM 13801 O2 U B 642 78.332 35.623 -9.922 1.00 0.00 O ATOM 13802 N3 U B 642 76.736 36.715 -8.731 1.00 0.00 N ATOM 13803 C4 U B 642 75.608 37.493 -8.601 1.00 0.00 C ATOM 13804 O4 U B 642 75.175 37.789 -7.488 1.00 0.00 O ATOM 13805 C5 U B 642 75.026 37.902 -9.859 1.00 0.00 C ATOM 13806 C6 U B 642 75.583 37.527 -11.023 1.00 0.00 C ATOM 13807 P A B 643 74.540 32.533 -14.078 1.00 0.00 P ATOM 13808 O1P A B 643 73.461 32.300 -15.060 1.00 0.00 O ATOM 13809 O2P A B 643 74.100 32.881 -12.706 1.00 0.00 O ATOM 13810 O5* A B 643 75.759 31.190 -14.107 1.00 0.00 O ATOM 13811 C5* A B 643 76.882 30.307 -14.044 1.00 0.00 C ATOM 13812 C4* A B 643 77.214 29.812 -12.532 1.00 0.00 C ATOM 13813 O4* A B 643 76.633 30.581 -11.433 1.00 0.00 O ATOM 13814 C3* A B 643 77.069 28.360 -12.079 1.00 0.00 C ATOM 13815 O3* A B 643 77.473 27.144 -12.900 1.00 0.00 O ATOM 13816 C2* A B 643 77.301 28.468 -10.573 1.00 0.00 C ATOM 13817 O2* A B 643 78.679 28.629 -10.290 1.00 0.00 O ATOM 13818 C1* A B 643 76.623 29.798 -10.252 1.00 0.00 C ATOM 13819 N9 A B 643 75.032 29.665 -9.718 1.00 0.00 N ATOM 13820 C8 A B 643 74.120 30.670 -9.488 1.00 0.00 C ATOM 13821 N7 A B 643 73.024 30.268 -8.913 1.00 0.00 N ATOM 13822 C5 A B 643 73.218 28.903 -8.747 1.00 0.00 C ATOM 13823 C6 A B 643 72.411 27.893 -8.196 1.00 0.00 C ATOM 13824 N6 A B 643 71.193 28.117 -7.680 1.00 0.00 N ATOM 13825 N1 A B 643 72.903 26.641 -8.190 1.00 0.00 N ATOM 13826 C2 A B 643 74.114 26.426 -8.701 1.00 0.00 C ATOM 13827 N3 A B 643 74.953 27.283 -9.243 1.00 0.00 N ATOM 13828 C4 A B 643 74.433 28.526 -9.235 1.00 0.00 C ATOM 13829 P A B 644 79.081 27.134 -13.764 1.00 0.00 P ATOM 13830 O1P A B 644 79.833 28.389 -13.579 1.00 0.00 O ATOM 13831 O2P A B 644 78.949 26.660 -15.161 1.00 0.00 O ATOM 13832 O5* A B 644 79.658 25.792 -12.681 1.00 0.00 O ATOM 13833 C5* A B 644 80.312 24.585 -12.256 1.00 0.00 C ATOM 13834 C4* A B 644 81.764 24.892 -11.611 1.00 0.00 C ATOM 13835 O4* A B 644 82.764 23.839 -11.476 1.00 0.00 O ATOM 13836 C3* A B 644 82.582 26.126 -12.000 1.00 0.00 C ATOM 13837 O3* A B 644 81.862 27.471 -12.089 1.00 0.00 O ATOM 13838 C2* A B 644 83.862 25.924 -11.191 1.00 0.00 C ATOM 13839 O2* A B 644 83.657 26.245 -9.827 1.00 0.00 O ATOM 13840 C1* A B 644 84.045 24.414 -11.273 1.00 0.00 C ATOM 13841 N9 A B 644 85.064 23.893 -12.516 1.00 0.00 N ATOM 13842 C8 A B 644 85.000 24.195 -13.856 1.00 0.00 C ATOM 13843 N7 A B 644 85.841 23.524 -14.588 1.00 0.00 N ATOM 13844 C5 A B 644 86.509 22.725 -13.675 1.00 0.00 C ATOM 13845 C6 A B 644 87.537 21.773 -13.822 1.00 0.00 C ATOM 13846 N6 A B 644 88.089 21.461 -15.004 1.00 0.00 N ATOM 13847 N1 A B 644 87.975 21.161 -12.709 1.00 0.00 N ATOM 13848 C2 A B 644 87.423 21.476 -11.539 1.00 0.00 C ATOM 13849 N3 A B 644 86.465 22.340 -11.281 1.00 0.00 N ATOM 13850 C4 A B 644 86.044 22.941 -12.412 1.00 0.00 C ATOM 13851 P C B 645 82.832 28.991 -11.816 1.00 0.00 P ATOM 13852 O1P C B 645 82.420 30.121 -12.678 1.00 0.00 O ATOM 13853 O2P C B 645 84.281 28.702 -11.783 1.00 0.00 O ATOM 13854 O5* C B 645 82.054 29.173 -10.186 1.00 0.00 O ATOM 13855 C5* C B 645 81.542 28.771 -8.910 1.00 0.00 C ATOM 13856 C4* C B 645 82.642 29.078 -7.758 1.00 0.00 C ATOM 13857 O4* C B 645 83.746 29.915 -8.207 1.00 0.00 O ATOM 13858 C3* C B 645 82.319 29.607 -6.360 1.00 0.00 C ATOM 13859 O3* C B 645 81.408 28.817 -5.401 1.00 0.00 O ATOM 13860 C2* C B 645 83.702 29.973 -5.831 1.00 0.00 C ATOM 13861 O2* C B 645 84.411 28.808 -5.438 1.00 0.00 O ATOM 13862 C1* C B 645 84.384 30.504 -7.085 1.00 0.00 C ATOM 13863 N1 C B 645 84.326 32.203 -7.263 1.00 0.00 N ATOM 13864 C2 C B 645 83.653 32.936 -6.286 1.00 0.00 C ATOM 13865 O2 C B 645 83.116 32.332 -5.354 1.00 0.00 O ATOM 13866 N3 C B 645 83.608 34.289 -6.406 1.00 0.00 N ATOM 13867 C4 C B 645 84.206 34.904 -7.432 1.00 0.00 C ATOM 13868 N4 C B 645 84.144 36.222 -7.495 1.00 0.00 N ATOM 13869 C5 C B 645 84.905 34.165 -8.448 1.00 0.00 C ATOM 13870 C6 C B 645 84.929 32.819 -8.316 1.00 0.00 C ATOM 13871 P U B 646 81.898 28.681 -3.629 1.00 0.00 P ATOM 13872 O1P U B 646 83.328 28.981 -3.377 1.00 0.00 O ATOM 13873 O2P U B 646 81.402 27.401 -3.069 1.00 0.00 O ATOM 13874 O5* U B 646 80.876 30.085 -3.068 1.00 0.00 O ATOM 13875 C5* U B 646 80.601 30.668 -1.782 1.00 0.00 C ATOM 13876 C4* U B 646 81.085 29.874 -0.394 1.00 0.00 C ATOM 13877 O4* U B 646 82.421 29.291 -0.430 1.00 0.00 O ATOM 13878 C3* U B 646 81.146 30.873 0.762 1.00 0.00 C ATOM 13879 O3* U B 646 79.902 31.715 1.029 1.00 0.00 O ATOM 13880 C2* U B 646 82.058 30.154 1.755 1.00 0.00 C ATOM 13881 O2* U B 646 81.359 29.118 2.424 1.00 0.00 O ATOM 13882 C1* U B 646 83.062 29.477 0.822 1.00 0.00 C ATOM 13883 N1 U B 646 84.510 30.366 0.561 1.00 0.00 N ATOM 13884 C2 U B 646 85.402 30.425 1.605 1.00 0.00 C ATOM 13885 O2 U B 646 85.182 29.918 2.693 1.00 0.00 O ATOM 13886 N3 U B 646 86.581 31.093 1.343 1.00 0.00 N ATOM 13887 C4 U B 646 86.933 31.694 0.149 1.00 0.00 C ATOM 13888 O4 U B 646 88.015 32.270 0.035 1.00 0.00 O ATOM 13889 C5 U B 646 85.930 31.587 -0.886 1.00 0.00 C ATOM 13890 C6 U B 646 84.771 30.936 -0.652 1.00 0.00 C ATOM 13891 P G B 647 80.424 33.415 1.458 1.00 0.00 P ATOM 13892 O1P G B 647 81.360 33.215 2.587 1.00 0.00 O ATOM 13893 O2P G B 647 79.389 34.457 1.655 1.00 0.00 O ATOM 13894 O5* G B 647 81.248 33.713 0.118 1.00 0.00 O ATOM 13895 C5* G B 647 82.249 32.773 -0.309 1.00 0.00 C ATOM 13896 C4* G B 647 82.809 33.188 -1.654 1.00 0.00 C ATOM 13897 O4* G B 647 81.770 33.046 -2.663 1.00 0.00 O ATOM 13898 C3* G B 647 83.239 34.653 -1.772 1.00 0.00 C ATOM 13899 O3* G B 647 84.532 34.846 -1.289 1.00 0.00 O ATOM 13900 C2* G B 647 83.130 34.895 -3.275 1.00 0.00 C ATOM 13901 O2* G B 647 84.222 34.314 -3.961 1.00 0.00 O ATOM 13902 C1* G B 647 81.895 34.077 -3.629 1.00 0.00 C ATOM 13903 N9 G B 647 80.629 34.869 -3.625 1.00 0.00 N ATOM 13904 C8 G B 647 79.604 34.864 -2.704 1.00 0.00 C ATOM 13905 N7 G B 647 78.623 35.685 -2.992 1.00 0.00 N ATOM 13906 C5 G B 647 79.027 36.272 -4.192 1.00 0.00 C ATOM 13907 C6 G B 647 78.378 37.245 -4.997 1.00 0.00 C ATOM 13908 O6 G B 647 77.295 37.797 -4.815 1.00 0.00 O ATOM 13909 N1 G B 647 79.139 37.560 -6.131 1.00 0.00 N ATOM 13910 C2 G B 647 80.366 37.011 -6.446 1.00 0.00 C ATOM 13911 N2 G B 647 80.934 37.446 -7.574 1.00 0.00 N ATOM 13912 N3 G B 647 80.973 36.099 -5.690 1.00 0.00 N ATOM 13913 C4 G B 647 80.248 35.782 -4.586 1.00 0.00 C ATOM 13914 P G B 648 84.891 36.261 -0.555 1.00 0.00 P ATOM 13915 O1P G B 648 86.161 36.138 0.198 1.00 0.00 O ATOM 13916 O2P G B 648 83.722 36.722 0.223 1.00 0.00 O ATOM 13917 O5* G B 648 85.106 37.210 -1.825 1.00 0.00 O ATOM 13918 C5* G B 648 86.142 36.889 -2.771 1.00 0.00 C ATOM 13919 C4* G B 648 86.085 37.842 -3.947 1.00 0.00 C ATOM 13920 O4* G B 648 84.860 37.590 -4.700 1.00 0.00 O ATOM 13921 C3* G B 648 86.000 39.327 -3.597 1.00 0.00 C ATOM 13922 O3* G B 648 87.261 39.868 -3.356 1.00 0.00 O ATOM 13923 C2* G B 648 85.338 39.913 -4.842 1.00 0.00 C ATOM 13924 O2* G B 648 86.268 40.012 -5.908 1.00 0.00 O ATOM 13925 C1* G B 648 84.353 38.811 -5.214 1.00 0.00 C ATOM 13926 N9 G B 648 82.988 39.011 -4.653 1.00 0.00 N ATOM 13927 C8 G B 648 82.370 38.360 -3.609 1.00 0.00 C ATOM 13928 N7 G B 648 81.152 38.782 -3.363 1.00 0.00 N ATOM 13929 C5 G B 648 80.950 39.783 -4.311 1.00 0.00 C ATOM 13930 C6 G B 648 79.819 40.607 -4.541 1.00 0.00 C ATOM 13931 O6 G B 648 78.744 40.625 -3.947 1.00 0.00 O ATOM 13932 N1 G B 648 80.040 41.492 -5.605 1.00 0.00 N ATOM 13933 C2 G B 648 81.198 41.569 -6.350 1.00 0.00 C ATOM 13934 N2 G B 648 81.211 42.482 -7.325 1.00 0.00 N ATOM 13935 N3 G B 648 82.261 40.797 -6.133 1.00 0.00 N ATOM 13936 C4 G B 648 82.064 39.931 -5.102 1.00 0.00 C ATOM 13937 P G B 649 87.410 41.051 -2.240 1.00 0.00 P ATOM 13938 O1P G B 649 88.831 41.227 -1.869 1.00 0.00 O ATOM 13939 O2P G B 649 86.478 40.790 -1.121 1.00 0.00 O ATOM 13940 O5* G B 649 86.908 42.317 -3.078 1.00 0.00 O ATOM 13941 C5* G B 649 87.623 42.696 -4.269 1.00 0.00 C ATOM 13942 C4* G B 649 86.905 43.836 -4.965 1.00 0.00 C ATOM 13943 O4* G B 649 85.637 43.346 -5.485 1.00 0.00 O ATOM 13944 C3* G B 649 86.510 45.013 -4.075 1.00 0.00 C ATOM 13945 O3* G B 649 87.562 45.912 -3.917 1.00 0.00 O ATOM 13946 C2* G B 649 85.336 45.613 -4.846 1.00 0.00 C ATOM 13947 O2* G B 649 85.793 46.354 -5.968 1.00 0.00 O ATOM 13948 C1* G B 649 84.653 44.362 -5.390 1.00 0.00 C ATOM 13949 N9 G B 649 83.550 43.858 -4.524 1.00 0.00 N ATOM 13950 C8 G B 649 83.529 42.758 -3.695 1.00 0.00 C ATOM 13951 N7 G B 649 82.394 42.586 -3.064 1.00 0.00 N ATOM 13952 C5 G B 649 81.606 43.651 -3.506 1.00 0.00 C ATOM 13953 C6 G B 649 80.272 44.001 -3.173 1.00 0.00 C ATOM 13954 O6 G B 649 79.497 43.436 -2.409 1.00 0.00 O ATOM 13955 N1 G B 649 79.861 45.156 -3.850 1.00 0.00 N ATOM 13956 C2 G B 649 80.637 45.879 -4.735 1.00 0.00 C ATOM 13957 N2 G B 649 80.063 46.953 -5.276 1.00 0.00 N ATOM 13958 N3 G B 649 81.890 45.551 -5.047 1.00 0.00 N ATOM 13959 C4 G B 649 82.303 44.431 -4.397 1.00 0.00 C ATOM 13960 P C B 650 87.712 46.703 -2.498 1.00 0.00 P ATOM 13961 O1P C B 650 89.058 47.309 -2.389 1.00 0.00 O ATOM 13962 O2P C B 650 87.317 45.805 -1.390 1.00 0.00 O ATOM 13963 O5* C B 650 86.615 47.853 -2.680 1.00 0.00 O ATOM 13964 C5* C B 650 86.758 48.791 -3.764 1.00 0.00 C ATOM 13965 C4* C B 650 85.551 49.705 -3.821 1.00 0.00 C ATOM 13966 O4* C B 650 84.385 48.924 -4.209 1.00 0.00 O ATOM 13967 C3* C B 650 85.137 50.347 -2.495 1.00 0.00 C ATOM 13968 O3* C B 650 85.871 51.502 -2.235 1.00 0.00 O ATOM 13969 C2* C B 650 83.656 50.629 -2.725 1.00 0.00 C ATOM 13970 O2* C B 650 83.484 51.764 -3.556 1.00 0.00 O ATOM 13971 C1* C B 650 83.233 49.412 -3.541 1.00 0.00 C ATOM 13972 N1 C B 650 82.674 48.304 -2.717 1.00 0.00 N ATOM 13973 C2 C B 650 81.392 48.461 -2.200 1.00 0.00 C ATOM 13974 O2 C B 650 80.775 49.505 -2.444 1.00 0.00 O ATOM 13975 N3 C B 650 80.864 47.462 -1.449 1.00 0.00 N ATOM 13976 C4 C B 650 81.565 46.346 -1.206 1.00 0.00 C ATOM 13977 N4 C B 650 81.008 45.401 -0.468 1.00 0.00 N ATOM 13978 C5 C B 650 82.886 46.164 -1.731 1.00 0.00 C ATOM 13979 C6 C B 650 83.395 47.174 -2.479 1.00 0.00 C ATOM 13980 P G B 651 85.918 51.427 -0.334 1.00 0.00 P ATOM 13981 O1P G B 651 84.739 52.177 0.148 1.00 0.00 O ATOM 13982 O2P G B 651 87.230 51.902 0.161 1.00 0.00 O ATOM 13983 O5* G B 651 85.688 49.615 0.156 1.00 0.00 O ATOM 13984 C5* G B 651 85.577 48.117 0.440 1.00 0.00 C ATOM 13985 C4* G B 651 85.270 47.286 1.886 1.00 0.00 C ATOM 13986 O4* G B 651 84.268 47.866 2.769 1.00 0.00 O ATOM 13987 C3* G B 651 85.042 45.779 2.013 1.00 0.00 C ATOM 13988 O3* G B 651 85.686 44.501 1.466 1.00 0.00 O ATOM 13989 C2* G B 651 84.659 45.636 3.483 1.00 0.00 C ATOM 13990 O2* G B 651 85.803 45.731 4.312 1.00 0.00 O ATOM 13991 C1* G B 651 83.836 46.898 3.713 1.00 0.00 C ATOM 13992 N9 G B 651 82.142 46.688 3.535 1.00 0.00 N ATOM 13993 C8 G B 651 81.340 46.966 2.447 1.00 0.00 C ATOM 13994 N7 G B 651 80.102 46.549 2.573 1.00 0.00 N ATOM 13995 C5 G B 651 80.081 45.949 3.831 1.00 0.00 C ATOM 13996 C6 G B 651 79.017 45.314 4.522 1.00 0.00 C ATOM 13997 O6 G B 651 77.858 45.149 4.163 1.00 0.00 O ATOM 13998 N1 G B 651 79.436 44.840 5.778 1.00 0.00 N ATOM 13999 C2 G B 651 80.710 44.967 6.292 1.00 0.00 C ATOM 14000 N2 G B 651 80.905 44.447 7.509 1.00 0.00 N ATOM 14001 N3 G B 651 81.705 45.564 5.643 1.00 0.00 N ATOM 14002 C4 G B 651 81.318 46.026 4.426 1.00 0.00 C ATOM 14003 P U B 652 84.644 43.443 0.310 1.00 0.00 P ATOM 14004 O1P U B 652 85.651 42.882 -0.617 1.00 0.00 O ATOM 14005 O2P U B 652 83.582 44.259 -0.317 1.00 0.00 O ATOM 14006 O5* U B 652 83.756 42.027 1.181 1.00 0.00 O ATOM 14007 C5* U B 652 82.686 40.988 0.824 1.00 0.00 C ATOM 14008 C4* U B 652 82.577 39.582 1.745 1.00 0.00 C ATOM 14009 O4* U B 652 83.258 39.978 2.971 1.00 0.00 O ATOM 14010 C3* U B 652 81.432 38.699 2.232 1.00 0.00 C ATOM 14011 O3* U B 652 80.475 37.516 1.661 1.00 0.00 O ATOM 14012 C2* U B 652 82.071 37.973 3.422 1.00 0.00 C ATOM 14013 O2* U B 652 82.936 36.949 2.972 1.00 0.00 O ATOM 14014 C1* U B 652 82.944 39.071 4.014 1.00 0.00 C ATOM 14015 N1 U B 652 82.225 39.940 5.278 1.00 0.00 N ATOM 14016 C2 U B 652 81.319 39.268 6.062 1.00 0.00 C ATOM 14017 O2 U B 652 81.004 38.105 5.862 1.00 0.00 O ATOM 14018 N3 U B 652 80.778 39.999 7.103 1.00 0.00 N ATOM 14019 C4 U B 652 81.060 41.310 7.413 1.00 0.00 C ATOM 14020 O4 U B 652 80.509 41.859 8.369 1.00 0.00 O ATOM 14021 C5 U B 652 82.023 41.930 6.539 1.00 0.00 C ATOM 14022 C6 U B 652 82.566 41.247 5.517 1.00 0.00 C ATOM 14023 P U B 653 79.671 37.274 -0.029 1.00 0.00 P ATOM 14024 O1P U B 653 80.884 37.251 -0.880 1.00 0.00 O ATOM 14025 O2P U B 653 78.684 38.335 -0.339 1.00 0.00 O ATOM 14026 O5* U B 653 78.779 35.589 -0.255 1.00 0.00 O ATOM 14027 C5* U B 653 78.442 34.073 -0.495 1.00 0.00 C ATOM 14028 C4* U B 653 77.384 33.199 -1.502 1.00 0.00 C ATOM 14029 O4* U B 653 77.125 33.801 -2.804 1.00 0.00 O ATOM 14030 C3* U B 653 77.300 31.698 -1.769 1.00 0.00 C ATOM 14031 O3* U B 653 77.304 30.418 -0.879 1.00 0.00 O ATOM 14032 C2* U B 653 76.187 31.619 -2.806 1.00 0.00 C ATOM 14033 O2* U B 653 74.915 31.784 -2.200 1.00 0.00 O ATOM 14034 C1* U B 653 76.448 32.875 -3.636 1.00 0.00 C ATOM 14035 N1 U B 653 77.397 32.619 -5.040 1.00 0.00 N ATOM 14036 C2 U B 653 76.729 32.264 -6.189 1.00 0.00 C ATOM 14037 O2 U B 653 75.512 32.193 -6.248 1.00 0.00 O ATOM 14038 N3 U B 653 77.527 31.992 -7.278 1.00 0.00 N ATOM 14039 C4 U B 653 78.906 32.040 -7.319 1.00 0.00 C ATOM 14040 O4 U B 653 79.511 31.776 -8.358 1.00 0.00 O ATOM 14041 C5 U B 653 79.515 32.419 -6.066 1.00 0.00 C ATOM 14042 C6 U B 653 78.763 32.693 -4.988 1.00 0.00 C ATOM 14043 P A B 654 77.915 28.862 -1.741 1.00 0.00 P ATOM 14044 O1P A B 654 79.035 28.309 -0.945 1.00 0.00 O ATOM 14045 O2P A B 654 78.217 29.154 -3.156 1.00 0.00 O ATOM 14046 O5* A B 654 76.557 27.599 -1.673 1.00 0.00 O ATOM 14047 C5* A B 654 76.710 26.140 -1.499 1.00 0.00 C ATOM 14048 C4* A B 654 77.387 25.158 -2.629 1.00 0.00 C ATOM 14049 O4* A B 654 77.993 25.597 -3.876 1.00 0.00 O ATOM 14050 C3* A B 654 77.982 23.771 -2.395 1.00 0.00 C ATOM 14051 O3* A B 654 77.731 22.907 -1.162 1.00 0.00 O ATOM 14052 C2* A B 654 78.081 23.225 -3.820 1.00 0.00 C ATOM 14053 O2* A B 654 76.808 22.819 -4.293 1.00 0.00 O ATOM 14054 C1* A B 654 78.467 24.477 -4.605 1.00 0.00 C ATOM 14055 N9 A B 654 80.112 24.667 -4.851 1.00 0.00 N ATOM 14056 C8 A B 654 80.830 25.835 -4.964 1.00 0.00 C ATOM 14057 N7 A B 654 82.067 25.660 -5.318 1.00 0.00 N ATOM 14058 C5 A B 654 82.186 24.288 -5.458 1.00 0.00 C ATOM 14059 C6 A B 654 83.258 23.461 -5.820 1.00 0.00 C ATOM 14060 N6 A B 654 84.481 23.926 -6.125 1.00 0.00 N ATOM 14061 N1 A B 654 83.035 22.136 -5.859 1.00 0.00 N ATOM 14062 C2 A B 654 81.822 21.682 -5.556 1.00 0.00 C ATOM 14063 N3 A B 654 80.749 22.347 -5.208 1.00 0.00 N ATOM 14064 C4 A B 654 80.999 23.675 -5.173 1.00 0.00 C ATOM 14065 P A B 655 76.570 21.487 -1.223 1.00 0.00 P ATOM 14066 O1P A B 655 76.035 21.202 -2.572 1.00 0.00 O ATOM 14067 O2P A B 655 75.563 21.635 -0.146 1.00 0.00 O ATOM 14068 O5* A B 655 77.861 20.261 -0.797 1.00 0.00 O ATOM 14069 C5* A B 655 78.362 18.909 -0.661 1.00 0.00 C ATOM 14070 C4* A B 655 78.102 17.946 -1.948 1.00 0.00 C ATOM 14071 O4* A B 655 77.832 18.618 -3.213 1.00 0.00 O ATOM 14072 C3* A B 655 78.933 16.727 -2.352 1.00 0.00 C ATOM 14073 O3* A B 655 78.927 15.581 -1.279 1.00 0.00 O ATOM 14074 C2* A B 655 78.306 16.340 -3.684 1.00 0.00 C ATOM 14075 O2* A B 655 77.069 15.678 -3.486 1.00 0.00 O ATOM 14076 C1* A B 655 77.990 17.704 -4.287 1.00 0.00 C ATOM 14077 N9 A B 655 79.191 18.313 -5.338 1.00 0.00 N ATOM 14078 C8 A B 655 80.448 18.782 -5.023 1.00 0.00 C ATOM 14079 N7 A B 655 81.209 18.999 -6.048 1.00 0.00 N ATOM 14080 C5 A B 655 80.409 18.653 -7.132 1.00 0.00 C ATOM 14081 C6 A B 655 80.642 18.660 -8.520 1.00 0.00 C ATOM 14082 N6 A B 655 81.797 19.045 -9.070 1.00 0.00 N ATOM 14083 N1 A B 655 79.631 18.253 -9.314 1.00 0.00 N ATOM 14084 C2 A B 655 78.487 17.870 -8.755 1.00 0.00 C ATOM 14085 N3 A B 655 78.155 17.824 -7.478 1.00 0.00 N ATOM 14086 C4 A B 655 79.182 18.236 -6.708 1.00 0.00 C ATOM 14087 P G B 656 80.204 14.272 -1.300 1.00 0.00 P ATOM 14088 O1P G B 656 80.151 13.428 -2.514 1.00 0.00 O ATOM 14089 O2P G B 656 80.366 13.550 -0.019 1.00 0.00 O ATOM 14090 O5* G B 656 81.358 15.370 -1.451 1.00 0.00 O ATOM 14091 C5* G B 656 81.912 15.625 -2.754 1.00 0.00 C ATOM 14092 C4* G B 656 82.892 16.780 -2.686 1.00 0.00 C ATOM 14093 O4* G B 656 82.161 18.004 -2.391 1.00 0.00 O ATOM 14094 C3* G B 656 83.937 16.697 -1.573 1.00 0.00 C ATOM 14095 O3* G B 656 85.033 15.926 -1.953 1.00 0.00 O ATOM 14096 C2* G B 656 84.298 18.167 -1.364 1.00 0.00 C ATOM 14097 O2* G B 656 85.147 18.630 -2.400 1.00 0.00 O ATOM 14098 C1* G B 656 82.945 18.846 -1.561 1.00 0.00 C ATOM 14099 N9 G B 656 82.196 19.069 -0.293 1.00 0.00 N ATOM 14100 C8 G B 656 81.094 18.401 0.196 1.00 0.00 C ATOM 14101 N7 G B 656 80.672 18.848 1.356 1.00 0.00 N ATOM 14102 C5 G B 656 81.556 19.885 1.653 1.00 0.00 C ATOM 14103 C6 G B 656 81.610 20.744 2.780 1.00 0.00 C ATOM 14104 O6 G B 656 80.872 20.773 3.762 1.00 0.00 O ATOM 14105 N1 G B 656 82.669 21.654 2.679 1.00 0.00 N ATOM 14106 C2 G B 656 83.566 21.723 1.629 1.00 0.00 C ATOM 14107 N2 G B 656 84.510 22.664 1.721 1.00 0.00 N ATOM 14108 N3 G B 656 83.516 20.916 0.574 1.00 0.00 N ATOM 14109 C4 G B 656 82.491 20.024 0.654 1.00 0.00 C ATOM 14110 P U B 657 85.798 15.036 -0.822 1.00 0.00 P ATOM 14111 O1P U B 657 86.670 14.027 -1.463 1.00 0.00 O ATOM 14112 O2P U B 657 84.808 14.508 0.145 1.00 0.00 O ATOM 14113 O5* U B 657 86.697 16.156 -0.117 1.00 0.00 O ATOM 14114 C5* U B 657 87.672 16.867 -0.902 1.00 0.00 C ATOM 14115 C4* U B 657 88.313 17.960 -0.070 1.00 0.00 C ATOM 14116 O4* U B 657 87.313 18.980 0.220 1.00 0.00 O ATOM 14117 C3* U B 657 88.816 17.537 1.310 1.00 0.00 C ATOM 14118 O3* U B 657 90.091 16.981 1.244 1.00 0.00 O ATOM 14119 C2* U B 657 88.788 18.854 2.080 1.00 0.00 C ATOM 14120 O2* U B 657 89.882 19.675 1.711 1.00 0.00 O ATOM 14121 C1* U B 657 87.533 19.511 1.513 1.00 0.00 C ATOM 14122 N1 U B 657 86.307 19.257 2.328 1.00 0.00 N ATOM 14123 C2 U B 657 86.195 19.936 3.516 1.00 0.00 C ATOM 14124 O2 U B 657 87.043 20.717 3.918 1.00 0.00 O ATOM 14125 N3 U B 657 85.049 19.675 4.239 1.00 0.00 N ATOM 14126 C4 U B 657 84.029 18.816 3.881 1.00 0.00 C ATOM 14127 O4 U B 657 83.049 18.664 4.615 1.00 0.00 O ATOM 14128 C5 U B 657 84.239 18.150 2.617 1.00 0.00 C ATOM 14129 C6 U B 657 85.347 18.385 1.893 1.00 0.00 C ATOM 14130 P U B 658 90.484 15.782 2.279 1.00 0.00 P ATOM 14131 O1P U B 658 91.709 15.089 1.821 1.00 0.00 O ATOM 14132 O2P U B 658 89.303 14.921 2.506 1.00 0.00 O ATOM 14133 O5* U B 658 90.801 16.624 3.605 1.00 0.00 O ATOM 14134 C5* U B 658 91.865 17.595 3.578 1.00 0.00 C ATOM 14135 C4* U B 658 91.906 18.355 4.887 1.00 0.00 C ATOM 14136 O4* U B 658 90.709 19.178 4.991 1.00 0.00 O ATOM 14137 C3* U B 658 91.875 17.500 6.154 1.00 0.00 C ATOM 14138 O3* U B 658 93.148 17.051 6.494 1.00 0.00 O ATOM 14139 C2* U B 658 91.299 18.472 7.183 1.00 0.00 C ATOM 14140 O2* U B 658 92.283 19.406 7.595 1.00 0.00 O ATOM 14141 C1* U B 658 90.283 19.239 6.341 1.00 0.00 C ATOM 14142 N1 U B 658 88.903 18.677 6.416 1.00 0.00 N ATOM 14143 C2 U B 658 88.198 18.898 7.576 1.00 0.00 C ATOM 14144 O2 U B 658 88.654 19.521 8.519 1.00 0.00 O ATOM 14145 N3 U B 658 86.926 18.363 7.607 1.00 0.00 N ATOM 14146 C4 U B 658 86.313 17.645 6.599 1.00 0.00 C ATOM 14147 O4 U B 658 85.166 17.216 6.741 1.00 0.00 O ATOM 14148 C5 U B 658 87.132 17.466 5.423 1.00 0.00 C ATOM 14149 C6 U B 658 88.374 17.975 5.368 1.00 0.00 C ATOM 14150 P G B 659 93.300 15.581 7.193 1.00 0.00 P ATOM 14151 O1P G B 659 94.708 15.130 7.142 1.00 0.00 O ATOM 14152 O2P G B 659 92.307 14.654 6.608 1.00 0.00 O ATOM 14153 O5* G B 659 92.898 15.924 8.704 1.00 0.00 O ATOM 14154 C5* G B 659 93.684 16.884 9.435 1.00 0.00 C ATOM 14155 C4* G B 659 93.055 17.145 10.790 1.00 0.00 C ATOM 14156 O4* G B 659 91.788 17.840 10.594 1.00 0.00 O ATOM 14157 C3* G B 659 92.674 15.906 11.597 1.00 0.00 C ATOM 14158 O3* G B 659 93.759 15.409 12.316 1.00 0.00 O ATOM 14159 C2* G B 659 91.565 16.444 12.502 1.00 0.00 C ATOM 14160 O2* G B 659 92.109 17.212 13.561 1.00 0.00 O ATOM 14161 C1* G B 659 90.852 17.413 11.569 1.00 0.00 C ATOM 14162 N9 G B 659 89.688 16.813 10.859 1.00 0.00 N ATOM 14163 C8 G B 659 89.577 16.434 9.537 1.00 0.00 C ATOM 14164 N7 G B 659 88.404 15.933 9.224 1.00 0.00 N ATOM 14165 C5 G B 659 87.691 15.989 10.420 1.00 0.00 C ATOM 14166 C6 G B 659 86.360 15.588 10.710 1.00 0.00 C ATOM 14167 O6 G B 659 85.523 15.093 9.956 1.00 0.00 O ATOM 14168 N1 G B 659 86.037 15.817 12.052 1.00 0.00 N ATOM 14169 C2 G B 659 86.886 16.368 12.995 1.00 0.00 C ATOM 14170 N2 G B 659 86.388 16.505 14.224 1.00 0.00 N ATOM 14171 N3 G B 659 88.134 16.741 12.723 1.00 0.00 N ATOM 14172 C4 G B 659 88.465 16.524 11.422 1.00 0.00 C ATOM 14173 P C B 660 93.881 13.796 12.540 1.00 0.00 P ATOM 14174 O1P C B 660 95.246 13.443 12.985 1.00 0.00 O ATOM 14175 O2P C B 660 93.394 13.094 11.333 1.00 0.00 O ATOM 14176 O5* C B 660 92.849 13.582 13.746 1.00 0.00 O ATOM 14177 C5* C B 660 93.084 14.257 14.997 1.00 0.00 C ATOM 14178 C4* C B 660 91.925 14.016 15.943 1.00 0.00 C ATOM 14179 O4* C B 660 90.743 14.691 15.422 1.00 0.00 O ATOM 14180 C3* C B 660 91.484 12.559 16.095 1.00 0.00 C ATOM 14181 O3* C B 660 92.259 11.886 17.036 1.00 0.00 O ATOM 14182 C2* C B 660 90.030 12.714 16.531 1.00 0.00 C ATOM 14183 O2* C B 660 89.949 13.089 17.896 1.00 0.00 O ATOM 14184 C1* C B 660 89.587 13.922 15.710 1.00 0.00 C ATOM 14185 N1 C B 660 88.940 13.564 14.418 1.00 0.00 N ATOM 14186 C2 C B 660 87.643 13.060 14.459 1.00 0.00 C ATOM 14187 O2 C B 660 87.089 12.930 15.556 1.00 0.00 O ATOM 14188 N3 C B 660 87.035 12.725 13.290 1.00 0.00 N ATOM 14189 C4 C B 660 87.672 12.881 12.123 1.00 0.00 C ATOM 14190 N4 C B 660 87.035 12.541 11.011 1.00 0.00 N ATOM 14191 C5 C B 660 89.003 13.401 12.058 1.00 0.00 C ATOM 14192 C6 C B 660 89.594 13.725 13.235 1.00 0.00 C ATOM 14193 P A B 661 92.570 10.299 16.804 1.00 0.00 P ATOM 14194 O1P A B 661 93.680 9.861 17.679 1.00 0.00 O ATOM 14195 O2P A B 661 92.745 10.040 15.358 1.00 0.00 O ATOM 14196 O5* A B 661 91.195 9.650 17.308 1.00 0.00 O ATOM 14197 C5* A B 661 90.781 9.858 18.669 1.00 0.00 C ATOM 14198 C4* A B 661 89.404 9.264 18.889 1.00 0.00 C ATOM 14199 O4* A B 661 88.431 10.034 18.127 1.00 0.00 O ATOM 14200 C3* A B 661 89.211 7.831 18.394 1.00 0.00 C ATOM 14201 O3* A B 661 89.648 6.900 19.334 1.00 0.00 O ATOM 14202 C2* A B 661 87.702 7.773 18.165 1.00 0.00 C ATOM 14203 O2* A B 661 87.011 7.651 19.398 1.00 0.00 O ATOM 14204 C1* A B 661 87.417 9.174 17.633 1.00 0.00 C ATOM 14205 N9 A B 661 87.423 9.261 16.147 1.00 0.00 N ATOM 14206 C8 A B 661 88.372 9.807 15.315 1.00 0.00 C ATOM 14207 N7 A B 661 88.079 9.725 14.053 1.00 0.00 N ATOM 14208 C5 A B 661 86.849 9.080 14.036 1.00 0.00 C ATOM 14209 C6 A B 661 85.999 8.690 12.992 1.00 0.00 C ATOM 14210 N6 A B 661 86.271 8.903 11.697 1.00 0.00 N ATOM 14211 N1 A B 661 84.854 8.067 13.324 1.00 0.00 N ATOM 14212 C2 A B 661 84.588 7.857 14.612 1.00 0.00 C ATOM 14213 N3 A B 661 85.305 8.171 15.670 1.00 0.00 N ATOM 14214 C4 A B 661 86.445 8.792 15.308 1.00 0.00 C ATOM 14215 P G B 662 90.309 5.502 18.807 1.00 0.00 P ATOM 14216 O1P G B 662 91.031 4.830 19.909 1.00 0.00 O ATOM 14217 O2P G B 662 91.100 5.763 17.583 1.00 0.00 O ATOM 14218 O5* G B 662 88.993 4.672 18.437 1.00 0.00 O ATOM 14219 C5* G B 662 88.033 4.384 19.471 1.00 0.00 C ATOM 14220 C4* G B 662 86.818 3.701 18.875 1.00 0.00 C ATOM 14221 O4* G B 662 86.114 4.653 18.025 1.00 0.00 O ATOM 14222 C3* G B 662 87.107 2.521 17.946 1.00 0.00 C ATOM 14223 O3* G B 662 87.290 1.341 18.661 1.00 0.00 O ATOM 14224 C2* G B 662 85.855 2.492 17.070 1.00 0.00 C ATOM 14225 O2* G B 662 84.760 1.932 17.775 1.00 0.00 O ATOM 14226 C1* G B 662 85.560 3.980 16.907 1.00 0.00 C ATOM 14227 N9 G B 662 86.150 4.575 15.675 1.00 0.00 N ATOM 14228 C8 G B 662 87.238 5.409 15.544 1.00 0.00 C ATOM 14229 N7 G B 662 87.500 5.757 14.306 1.00 0.00 N ATOM 14230 C5 G B 662 86.514 5.110 13.565 1.00 0.00 C ATOM 14231 C6 G B 662 86.280 5.104 12.166 1.00 0.00 C ATOM 14232 O6 G B 662 86.898 5.679 11.278 1.00 0.00 O ATOM 14233 N1 G B 662 85.169 4.309 11.837 1.00 0.00 N ATOM 14234 C2 G B 662 84.390 3.613 12.739 1.00 0.00 C ATOM 14235 N2 G B 662 83.377 2.913 12.225 1.00 0.00 N ATOM 14236 N3 G B 662 84.612 3.619 14.053 1.00 0.00 N ATOM 14237 C4 G B 662 85.687 4.385 14.388 1.00 0.00 C ATOM 14238 P G B 663 88.346 0.234 18.095 1.00 0.00 P ATOM 14239 O1P G B 663 88.674 -0.750 19.149 1.00 0.00 O ATOM 14240 O2P G B 663 89.502 0.928 17.482 1.00 0.00 O ATOM 14241 O5* G B 663 87.468 -0.464 16.955 1.00 0.00 O ATOM 14242 C5* G B 663 86.245 -1.124 17.322 1.00 0.00 C ATOM 14243 C4* G B 663 85.516 -1.601 16.080 1.00 0.00 C ATOM 14244 O4* G B 663 85.054 -0.442 15.328 1.00 0.00 O ATOM 14245 C3* G B 663 86.363 -2.377 15.071 1.00 0.00 C ATOM 14246 O3* G B 663 86.453 -3.725 15.409 1.00 0.00 O ATOM 14247 C2* G B 663 85.601 -2.146 13.767 1.00 0.00 C ATOM 14248 O2* G B 663 84.437 -2.956 13.718 1.00 0.00 O ATOM 14249 C1* G B 663 85.131 -0.706 13.938 1.00 0.00 C ATOM 14250 N9 G B 663 86.049 0.299 13.329 1.00 0.00 N ATOM 14251 C8 G B 663 86.925 1.163 13.946 1.00 0.00 C ATOM 14252 N7 G B 663 87.596 1.926 13.115 1.00 0.00 N ATOM 14253 C5 G B 663 87.128 1.538 11.860 1.00 0.00 C ATOM 14254 C6 G B 663 87.484 2.006 10.569 1.00 0.00 C ATOM 14255 O6 G B 663 88.294 2.876 10.259 1.00 0.00 O ATOM 14256 N1 G B 663 86.765 1.337 9.566 1.00 0.00 N ATOM 14257 C2 G B 663 85.829 0.345 9.785 1.00 0.00 C ATOM 14258 N2 G B 663 85.255 -0.170 8.694 1.00 0.00 N ATOM 14259 N3 G B 663 85.497 -0.096 10.995 1.00 0.00 N ATOM 14260 C4 G B 663 86.186 0.543 11.980 1.00 0.00 C ATOM 14261 P G B 664 87.832 -4.531 15.070 1.00 0.00 P ATOM 14262 O1P G B 664 87.879 -5.807 15.817 1.00 0.00 O ATOM 14263 O2P G B 664 88.990 -3.629 15.264 1.00 0.00 O ATOM 14264 O5* G B 664 87.631 -4.824 13.510 1.00 0.00 O ATOM 14265 C5* G B 664 86.504 -5.612 13.087 1.00 0.00 C ATOM 14266 C4* G B 664 86.442 -5.660 11.573 1.00 0.00 C ATOM 14267 O4* G B 664 86.116 -4.329 11.074 1.00 0.00 O ATOM 14268 C3* G B 664 87.748 -6.010 10.861 1.00 0.00 C ATOM 14269 O3* G B 664 87.937 -7.388 10.791 1.00 0.00 O ATOM 14270 C2* G B 664 87.547 -5.371 9.489 1.00 0.00 C ATOM 14271 O2* G B 664 86.671 -6.154 8.695 1.00 0.00 O ATOM 14272 C1* G B 664 86.795 -4.093 9.852 1.00 0.00 C ATOM 14273 N9 G B 664 87.680 -2.912 10.036 1.00 0.00 N ATOM 14274 C8 G B 664 88.060 -2.279 11.198 1.00 0.00 C ATOM 14275 N7 G B 664 88.860 -1.254 11.017 1.00 0.00 N ATOM 14276 C5 G B 664 89.019 -1.203 9.630 1.00 0.00 C ATOM 14277 C6 G B 664 89.772 -0.307 8.832 1.00 0.00 C ATOM 14278 O6 G B 664 90.467 0.643 9.185 1.00 0.00 O ATOM 14279 N1 G B 664 89.656 -0.616 7.471 1.00 0.00 N ATOM 14280 C2 G B 664 88.909 -1.654 6.949 1.00 0.00 C ATOM 14281 N2 G B 664 88.929 -1.782 5.621 1.00 0.00 N ATOM 14282 N3 G B 664 88.205 -2.495 7.699 1.00 0.00 N ATOM 14283 C4 G B 664 88.304 -2.211 9.024 1.00 0.00 C ATOM 14284 P U B 665 89.456 -7.977 10.872 1.00 0.00 P ATOM 14285 O1P U B 665 89.431 -9.431 11.149 1.00 0.00 O ATOM 14286 O2P U B 665 90.252 -7.156 11.813 1.00 0.00 O ATOM 14287 O5* U B 665 89.959 -7.721 9.375 1.00 0.00 O ATOM 14288 C5* U B 665 89.262 -8.355 8.286 1.00 0.00 C ATOM 14289 C4* U B 665 89.823 -7.878 6.963 1.00 0.00 C ATOM 14290 O4* U B 665 89.491 -6.471 6.792 1.00 0.00 O ATOM 14291 C3* U B 665 91.347 -7.917 6.833 1.00 0.00 C ATOM 14292 O3* U B 665 91.795 -9.178 6.449 1.00 0.00 O ATOM 14293 C2* U B 665 91.605 -6.852 5.769 1.00 0.00 C ATOM 14294 O2* U B 665 91.280 -7.343 4.479 1.00 0.00 O ATOM 14295 C1* U B 665 90.553 -5.806 6.122 1.00 0.00 C ATOM 14296 N1 U B 665 91.056 -4.726 7.017 1.00 0.00 N ATOM 14297 C2 U B 665 91.887 -3.784 6.456 1.00 0.00 C ATOM 14298 O2 U B 665 92.212 -3.804 5.282 1.00 0.00 O ATOM 14299 N3 U B 665 92.334 -2.801 7.317 1.00 0.00 N ATOM 14300 C4 U B 665 92.030 -2.685 8.659 1.00 0.00 C ATOM 14301 O4 U B 665 92.492 -1.760 9.328 1.00 0.00 O ATOM 14302 C5 U B 665 91.155 -3.721 9.154 1.00 0.00 C ATOM 14303 C6 U B 665 90.703 -4.690 8.341 1.00 0.00 C ATOM 14304 P A B 666 93.234 -9.706 7.017 1.00 0.00 P ATOM 14305 O1P A B 666 93.359 -11.167 6.812 1.00 0.00 O ATOM 14306 O2P A B 666 93.417 -9.233 8.406 1.00 0.00 O ATOM 14307 O5* A B 666 94.241 -8.931 6.043 1.00 0.00 O ATOM 14308 C5* A B 666 94.171 -9.175 4.627 1.00 0.00 C ATOM 14309 C4* A B 666 95.121 -8.250 3.893 1.00 0.00 C ATOM 14310 O4* A B 666 94.637 -6.884 4.016 1.00 0.00 O ATOM 14311 C3* A B 666 96.547 -8.188 4.443 1.00 0.00 C ATOM 14312 O3* A B 666 97.331 -9.224 3.945 1.00 0.00 O ATOM 14313 C2* A B 666 97.013 -6.813 3.967 1.00 0.00 C ATOM 14314 O2* A B 666 97.332 -6.842 2.588 1.00 0.00 O ATOM 14315 C1* A B 666 95.737 -5.992 4.113 1.00 0.00 C ATOM 14316 N9 A B 666 95.635 -5.271 5.412 1.00 0.00 N ATOM 14317 C8 A B 666 94.836 -5.554 6.499 1.00 0.00 C ATOM 14318 N7 A B 666 94.981 -4.726 7.488 1.00 0.00 N ATOM 14319 C5 A B 666 95.937 -3.829 7.036 1.00 0.00 C ATOM 14320 C6 A B 666 96.534 -2.704 7.627 1.00 0.00 C ATOM 14321 N6 A B 666 96.235 -2.269 8.860 1.00 0.00 N ATOM 14322 N1 A B 666 97.449 -2.035 6.903 1.00 0.00 N ATOM 14323 C2 A B 666 97.740 -2.470 5.677 1.00 0.00 C ATOM 14324 N3 A B 666 97.254 -3.503 5.024 1.00 0.00 N ATOM 14325 C4 A B 666 96.339 -4.155 5.772 1.00 0.00 C ATOM 14326 P U B 667 98.489 -9.866 4.905 1.00 0.00 P ATOM 14327 O1P U B 667 98.954 -11.159 4.354 1.00 0.00 O ATOM 14328 O2P U B 667 98.006 -9.895 6.301 1.00 0.00 O ATOM 14329 O5* U B 667 99.646 -8.770 4.752 1.00 0.00 O ATOM 14330 C5* U B 667 100.198 -8.511 3.447 1.00 0.00 C ATOM 14331 C4* U B 667 101.177 -7.359 3.517 1.00 0.00 C ATOM 14332 O4* U B 667 100.446 -6.135 3.812 1.00 0.00 O ATOM 14333 C3* U B 667 102.223 -7.440 4.631 1.00 0.00 C ATOM 14334 O3* U B 667 103.318 -8.212 4.248 1.00 0.00 O ATOM 14335 C2* U B 667 102.582 -5.971 4.840 1.00 0.00 C ATOM 14336 O2* U B 667 103.431 -5.509 3.801 1.00 0.00 O ATOM 14337 C1* U B 667 101.231 -5.291 4.641 1.00 0.00 C ATOM 14338 N1 U B 667 100.482 -5.070 5.909 1.00 0.00 N ATOM 14339 C2 U B 667 100.930 -4.061 6.731 1.00 0.00 C ATOM 14340 O2 U B 667 101.893 -3.366 6.462 1.00 0.00 O ATOM 14341 N3 U B 667 100.211 -3.883 7.896 1.00 0.00 N ATOM 14342 C4 U B 667 99.108 -4.612 8.298 1.00 0.00 C ATOM 14343 O4 U B 667 98.547 -4.360 9.368 1.00 0.00 O ATOM 14344 C5 U B 667 98.715 -5.645 7.372 1.00 0.00 C ATOM 14345 C6 U B 667 99.397 -5.841 6.233 1.00 0.00 C ATOM 14346 P A B 668 104.083 -9.101 5.383 1.00 0.00 P ATOM 14347 O1P A B 668 104.957 -10.110 4.738 1.00 0.00 O ATOM 14348 O2P A B 668 103.094 -9.628 6.347 1.00 0.00 O ATOM 14349 O5* A B 668 104.983 -7.980 6.088 1.00 0.00 O ATOM 14350 C5* A B 668 105.957 -7.271 5.300 1.00 0.00 C ATOM 14351 C4* A B 668 106.600 -6.179 6.132 1.00 0.00 C ATOM 14352 O4* A B 668 105.601 -5.157 6.420 1.00 0.00 O ATOM 14353 C3* A B 668 107.103 -6.600 7.514 1.00 0.00 C ATOM 14354 O3* A B 668 108.379 -7.154 7.446 1.00 0.00 O ATOM 14355 C2* A B 668 107.073 -5.282 8.281 1.00 0.00 C ATOM 14356 O2* A B 668 108.168 -4.462 7.914 1.00 0.00 O ATOM 14357 C1* A B 668 105.819 -4.627 7.720 1.00 0.00 C ATOM 14358 N9 A B 668 104.593 -4.879 8.529 1.00 0.00 N ATOM 14359 C8 A B 668 103.532 -5.712 8.258 1.00 0.00 C ATOM 14360 N7 A B 668 102.613 -5.709 9.174 1.00 0.00 N ATOM 14361 C5 A B 668 103.090 -4.815 10.124 1.00 0.00 C ATOM 14362 C6 A B 668 102.570 -4.369 11.350 1.00 0.00 C ATOM 14363 N6 A B 668 101.398 -4.785 11.851 1.00 0.00 N ATOM 14364 N1 A B 668 103.301 -3.479 12.044 1.00 0.00 N ATOM 14365 C2 A B 668 104.463 -3.069 11.541 1.00 0.00 C ATOM 14366 N3 A B 668 105.047 -3.413 10.414 1.00 0.00 N ATOM 14367 C4 A B 668 104.296 -4.306 9.738 1.00 0.00 C ATOM 14368 P G B 669 108.335 -8.353 5.788 1.00 0.00 P ATOM 14369 O1P G B 669 108.097 -9.690 6.370 1.00 0.00 O ATOM 14370 O2P G B 669 109.673 -8.145 5.191 1.00 0.00 O ATOM 14371 O5* G B 669 107.115 -8.377 4.160 1.00 0.00 O ATOM 14372 C5* G B 669 105.947 -8.019 2.973 1.00 0.00 C ATOM 14373 C4* G B 669 104.680 -8.789 1.919 1.00 0.00 C ATOM 14374 O4* G B 669 104.718 -10.246 1.891 1.00 0.00 O ATOM 14375 C3* G B 669 103.484 -8.439 1.031 1.00 0.00 C ATOM 14376 O3* G B 669 101.901 -7.872 0.945 1.00 0.00 O ATOM 14377 C2* G B 669 103.564 -9.510 -0.056 1.00 0.00 C ATOM 14378 O2* G B 669 104.600 -9.212 -0.977 1.00 0.00 O ATOM 14379 C1* G B 669 104.025 -10.721 0.747 1.00 0.00 C ATOM 14380 N9 G B 669 102.744 -11.765 1.281 1.00 0.00 N ATOM 14381 C8 G B 669 102.287 -11.995 2.561 1.00 0.00 C ATOM 14382 N7 G B 669 101.373 -12.929 2.642 1.00 0.00 N ATOM 14383 C5 G B 669 101.211 -13.354 1.319 1.00 0.00 C ATOM 14384 C6 G B 669 100.365 -14.350 0.776 1.00 0.00 C ATOM 14385 O6 G B 669 99.558 -15.077 1.354 1.00 0.00 O ATOM 14386 N1 G B 669 100.524 -14.452 -0.616 1.00 0.00 N ATOM 14387 C2 G B 669 101.393 -13.699 -1.376 1.00 0.00 C ATOM 14388 N2 G B 669 101.395 -13.949 -2.684 1.00 0.00 N ATOM 14389 N3 G B 669 102.189 -12.763 -0.862 1.00 0.00 N ATOM 14390 C4 G B 669 102.048 -12.651 0.480 1.00 0.00 C ATOM 14391 P A B 670 100.342 -8.846 0.257 1.00 0.00 P ATOM 14392 O1P A B 670 99.351 -8.879 1.351 1.00 0.00 O ATOM 14393 O2P A B 670 100.893 -10.158 -0.147 1.00 0.00 O ATOM 14394 O5* A B 670 99.222 -8.320 -1.246 1.00 0.00 O ATOM 14395 C5* A B 670 97.840 -8.980 -1.671 1.00 0.00 C ATOM 14396 C4* A B 670 96.974 -9.155 -3.171 1.00 0.00 C ATOM 14397 O4* A B 670 97.026 -10.211 -4.173 1.00 0.00 O ATOM 14398 C3* A B 670 96.408 -7.956 -3.938 1.00 0.00 C ATOM 14399 O3* A B 670 94.740 -8.093 -3.937 1.00 0.00 O ATOM 14400 C2* A B 670 97.042 -8.131 -5.317 1.00 0.00 C ATOM 14401 O2* A B 670 98.405 -7.735 -5.302 1.00 0.00 O ATOM 14402 C1* A B 670 97.028 -9.648 -5.472 1.00 0.00 C ATOM 14403 N9 A B 670 95.654 -10.276 -6.346 1.00 0.00 N ATOM 14404 C8 A B 670 95.602 -10.710 -7.656 1.00 0.00 C ATOM 14405 N7 A B 670 94.400 -10.923 -8.086 1.00 0.00 N ATOM 14406 C5 A B 670 93.593 -10.613 -6.999 1.00 0.00 C ATOM 14407 C6 A B 670 92.198 -10.641 -6.820 1.00 0.00 C ATOM 14408 N6 A B 670 91.337 -11.008 -7.781 1.00 0.00 N ATOM 14409 N1 A B 670 91.727 -10.276 -5.614 1.00 0.00 N ATOM 14410 C2 A B 670 92.589 -9.911 -4.671 1.00 0.00 C ATOM 14411 N3 A B 670 93.907 -9.851 -4.722 1.00 0.00 N ATOM 14412 C4 A B 670 94.350 -10.220 -5.938 1.00 0.00 C ATOM 14413 P C B 671 92.865 -7.058 -3.287 1.00 0.00 P ATOM 14414 O1P C B 671 92.610 -7.550 -4.657 1.00 0.00 O ATOM 14415 O2P C B 671 93.964 -6.076 -3.150 1.00 0.00 O ATOM 14416 O5* C B 671 93.124 -8.296 -2.306 1.00 0.00 O ATOM 14417 C5* C B 671 94.477 -8.716 -2.051 1.00 0.00 C ATOM 14418 C4* C B 671 94.489 -9.810 -1.004 1.00 0.00 C ATOM 14419 O4* C B 671 94.075 -9.248 0.273 1.00 0.00 O ATOM 14420 C3* C B 671 93.512 -10.964 -1.232 1.00 0.00 C ATOM 14421 O3* C B 671 94.047 -11.921 -2.093 1.00 0.00 O ATOM 14422 C2* C B 671 93.307 -11.493 0.185 1.00 0.00 C ATOM 14423 O2* C B 671 94.426 -12.261 0.604 1.00 0.00 O ATOM 14424 C1* C B 671 93.323 -10.205 1.002 1.00 0.00 C ATOM 14425 N1 C B 671 91.967 -9.637 1.244 1.00 0.00 N ATOM 14426 C2 C B 671 91.154 -10.275 2.177 1.00 0.00 C ATOM 14427 O2 C B 671 91.585 -11.276 2.758 1.00 0.00 O ATOM 14428 N3 C B 671 89.915 -9.772 2.413 1.00 0.00 N ATOM 14429 C4 C B 671 89.484 -8.683 1.762 1.00 0.00 C ATOM 14430 N4 C B 671 88.267 -8.232 2.031 1.00 0.00 N ATOM 14431 C5 C B 671 90.304 -8.012 0.799 1.00 0.00 C ATOM 14432 C6 C B 671 91.538 -8.531 0.577 1.00 0.00 C ATOM 14433 P C B 672 93.040 -12.722 -3.101 1.00 0.00 P ATOM 14434 O1P C B 672 93.812 -13.405 -4.163 1.00 0.00 O ATOM 14435 O2P C B 672 91.977 -11.801 -3.565 1.00 0.00 O ATOM 14436 O5* C B 672 92.416 -13.806 -2.101 1.00 0.00 O ATOM 14437 C5* C B 672 93.292 -14.750 -1.460 1.00 0.00 C ATOM 14438 C4* C B 672 92.513 -15.591 -0.471 1.00 0.00 C ATOM 14439 O4* C B 672 92.077 -14.744 0.631 1.00 0.00 O ATOM 14440 C3* C B 672 91.214 -16.209 -0.998 1.00 0.00 C ATOM 14441 O3* C B 672 91.452 -17.402 -1.672 1.00 0.00 O ATOM 14442 C2* C B 672 90.410 -16.402 0.286 1.00 0.00 C ATOM 14443 O2* C B 672 90.882 -17.526 1.009 1.00 0.00 O ATOM 14444 C1* C B 672 90.800 -15.162 1.085 1.00 0.00 C ATOM 14445 N1 C B 672 89.855 -14.023 0.920 1.00 0.00 N ATOM 14446 C2 C B 672 88.621 -14.104 1.557 1.00 0.00 C ATOM 14447 O2 C B 672 88.361 -15.112 2.228 1.00 0.00 O ATOM 14448 N3 C B 672 87.745 -13.076 1.420 1.00 0.00 N ATOM 14449 C4 C B 672 88.064 -12.003 0.686 1.00 0.00 C ATOM 14450 N4 C B 672 87.175 -11.027 0.584 1.00 0.00 N ATOM 14451 C5 C B 672 89.331 -11.901 0.022 1.00 0.00 C ATOM 14452 C6 C B 672 90.189 -12.937 0.171 1.00 0.00 C ATOM 14453 P C B 673 91.329 -19.115 -0.918 1.00 0.00 P ATOM 14454 O1P C B 673 92.281 -19.217 0.210 1.00 0.00 O ATOM 14455 O2P C B 673 91.367 -20.221 -1.897 1.00 0.00 O ATOM 14456 O5* C B 673 89.514 -19.063 -0.576 1.00 0.00 O ATOM 14457 C5* C B 673 88.720 -19.752 -1.617 1.00 0.00 C ATOM 14458 C4* C B 673 89.037 -18.982 -3.049 1.00 0.00 C ATOM 14459 O4* C B 673 89.343 -17.571 -2.844 1.00 0.00 O ATOM 14460 C3* C B 673 88.453 -19.033 -4.461 1.00 0.00 C ATOM 14461 O3* C B 673 87.771 -20.318 -5.101 1.00 0.00 O ATOM 14462 C2* C B 673 87.676 -17.718 -4.533 1.00 0.00 C ATOM 14463 O2* C B 673 86.461 -17.815 -3.814 1.00 0.00 O ATOM 14464 C1* C B 673 88.584 -16.780 -3.745 1.00 0.00 C ATOM 14465 N1 C B 673 89.662 -15.868 -4.697 1.00 0.00 N ATOM 14466 C2 C B 673 89.280 -15.572 -6.004 1.00 0.00 C ATOM 14467 O2 C B 673 88.211 -16.037 -6.429 1.00 0.00 O ATOM 14468 N3 C B 673 90.088 -14.794 -6.758 1.00 0.00 N ATOM 14469 C4 C B 673 91.235 -14.309 -6.261 1.00 0.00 C ATOM 14470 N4 C B 673 91.990 -13.553 -7.036 1.00 0.00 N ATOM 14471 C5 C B 673 91.645 -14.598 -4.915 1.00 0.00 C ATOM 14472 C6 C B 673 90.821 -15.385 -4.175 1.00 0.00 C ATOM 14473 P G B 674 88.268 -21.603 -6.421 1.00 0.00 P ATOM 14474 O1P G B 674 87.864 -22.894 -5.813 1.00 0.00 O ATOM 14475 O2P G B 674 89.709 -21.448 -6.706 1.00 0.00 O ATOM 14476 O5* G B 674 87.253 -21.532 -8.060 1.00 0.00 O ATOM 14477 C5* G B 674 86.602 -21.358 -9.494 1.00 0.00 C ATOM 14478 C4* G B 674 85.468 -22.130 -10.646 1.00 0.00 C ATOM 14479 O4* G B 674 86.304 -22.314 -11.823 1.00 0.00 O ATOM 14480 C3* G B 674 84.871 -23.518 -10.399 1.00 0.00 C ATOM 14481 O3* G B 674 83.415 -23.215 -9.813 1.00 0.00 O ATOM 14482 C2* G B 674 84.664 -24.037 -11.822 1.00 0.00 C ATOM 14483 O2* G B 674 83.527 -23.434 -12.414 1.00 0.00 O ATOM 14484 C1* G B 674 85.891 -23.471 -12.533 1.00 0.00 C ATOM 14485 N9 G B 674 87.196 -24.526 -12.625 1.00 0.00 N ATOM 14486 C8 G B 674 87.510 -25.439 -13.613 1.00 0.00 C ATOM 14487 N7 G B 674 88.684 -26.008 -13.457 1.00 0.00 N ATOM 14488 C5 G B 674 89.175 -25.436 -12.283 1.00 0.00 C ATOM 14489 C6 G B 674 90.400 -25.657 -11.607 1.00 0.00 C ATOM 14490 O6 G B 674 91.318 -26.417 -11.906 1.00 0.00 O ATOM 14491 N1 G B 674 90.493 -24.868 -10.451 1.00 0.00 N ATOM 14492 C2 G B 674 89.535 -23.982 -10.008 1.00 0.00 C ATOM 14493 N2 G B 674 89.816 -23.319 -8.884 1.00 0.00 N ATOM 14494 N3 G B 674 88.384 -23.776 -10.647 1.00 0.00 N ATOM 14495 C4 G B 674 88.273 -24.534 -11.772 1.00 0.00 C ATOM 14496 P A B 675 82.450 -21.663 -10.298 1.00 0.00 P ATOM 14497 O1P A B 675 82.888 -20.498 -9.498 1.00 0.00 O ATOM 14498 O2P A B 675 81.017 -22.021 -10.194 1.00 0.00 O ATOM 14499 O5* A B 675 82.867 -21.333 -12.094 1.00 0.00 O ATOM 14500 C5* A B 675 82.895 -21.061 -13.569 1.00 0.00 C ATOM 14501 C4* A B 675 84.205 -20.275 -14.243 1.00 0.00 C ATOM 14502 O4* A B 675 85.391 -21.050 -13.913 1.00 0.00 O ATOM 14503 C3* A B 675 84.561 -19.601 -15.565 1.00 0.00 C ATOM 14504 O3* A B 675 84.001 -18.123 -15.850 1.00 0.00 O ATOM 14505 C2* A B 675 86.048 -19.300 -15.388 1.00 0.00 C ATOM 14506 O2* A B 675 86.234 -18.182 -14.533 1.00 0.00 O ATOM 14507 C1* A B 675 86.515 -20.534 -14.611 1.00 0.00 C ATOM 14508 N9 A B 675 87.148 -21.746 -15.551 1.00 0.00 N ATOM 14509 C8 A B 675 86.767 -23.072 -15.614 1.00 0.00 C ATOM 14510 N7 A B 675 87.324 -23.735 -16.577 1.00 0.00 N ATOM 14511 C5 A B 675 88.133 -22.800 -17.210 1.00 0.00 C ATOM 14512 C6 A B 675 88.988 -22.883 -18.316 1.00 0.00 C ATOM 14513 N6 A B 675 89.188 -24.010 -19.014 1.00 0.00 N ATOM 14514 N1 A B 675 89.644 -21.764 -18.677 1.00 0.00 N ATOM 14515 C2 A B 675 89.444 -20.648 -17.978 1.00 0.00 C ATOM 14516 N3 A B 675 88.671 -20.455 -16.934 1.00 0.00 N ATOM 14517 C4 A B 675 88.027 -21.588 -16.590 1.00 0.00 C ATOM 14518 P A B 676 82.824 -17.377 -17.067 1.00 0.00 P ATOM 14519 O1P A B 676 82.338 -16.074 -16.558 1.00 0.00 O ATOM 14520 O2P A B 676 81.781 -18.307 -17.555 1.00 0.00 O ATOM 14521 O5* A B 676 84.155 -17.065 -18.253 1.00 0.00 O ATOM 14522 C5* A B 676 85.388 -17.654 -18.605 1.00 0.00 C ATOM 14523 C4* A B 676 85.247 -19.229 -18.909 1.00 0.00 C ATOM 14524 O4* A B 676 85.636 -20.218 -17.909 1.00 0.00 O ATOM 14525 C3* A B 676 84.158 -19.935 -19.718 1.00 0.00 C ATOM 14526 O3* A B 676 82.700 -19.460 -19.751 1.00 0.00 O ATOM 14527 C2* A B 676 84.656 -21.374 -19.736 1.00 0.00 C ATOM 14528 O2* A B 676 85.719 -21.528 -20.665 1.00 0.00 O ATOM 14529 C1* A B 676 85.255 -21.513 -18.344 1.00 0.00 C ATOM 14530 N9 A B 676 84.188 -22.191 -17.164 1.00 0.00 N ATOM 14531 C8 A B 676 84.331 -23.360 -16.455 1.00 0.00 C ATOM 14532 N7 A B 676 83.279 -23.689 -15.763 1.00 0.00 N ATOM 14533 C5 A B 676 82.372 -22.674 -16.029 1.00 0.00 C ATOM 14534 C6 A B 676 81.058 -22.440 -15.594 1.00 0.00 C ATOM 14535 N6 A B 676 80.402 -23.256 -14.752 1.00 0.00 N ATOM 14536 N1 A B 676 80.445 -21.333 -16.045 1.00 0.00 N ATOM 14537 C2 A B 676 81.105 -20.526 -16.874 1.00 0.00 C ATOM 14538 N3 A B 676 82.327 -20.642 -17.350 1.00 0.00 N ATOM 14539 C4 A B 676 82.920 -21.758 -16.879 1.00 0.00 C ATOM 14540 P A B 677 82.350 -18.007 -20.790 1.00 0.00 P ATOM 14541 O1P A B 677 83.495 -17.533 -21.592 1.00 0.00 O ATOM 14542 O2P A B 677 81.607 -16.971 -20.045 1.00 0.00 O ATOM 14543 O5* A B 677 81.208 -19.115 -21.659 1.00 0.00 O ATOM 14544 C5* A B 677 80.178 -19.514 -20.716 1.00 0.00 C ATOM 14545 C4* A B 677 78.996 -18.416 -20.733 1.00 0.00 C ATOM 14546 O4* A B 677 79.022 -17.163 -19.998 1.00 0.00 O ATOM 14547 C3* A B 677 78.404 -18.039 -22.093 1.00 0.00 C ATOM 14548 O3* A B 677 78.190 -19.545 -22.585 1.00 0.00 O ATOM 14549 C2* A B 677 77.380 -16.969 -21.712 1.00 0.00 C ATOM 14550 O2* A B 677 76.226 -17.558 -21.145 1.00 0.00 O ATOM 14551 C1* A B 677 78.108 -16.245 -20.576 1.00 0.00 C ATOM 14552 N9 A B 677 78.972 -14.858 -21.056 1.00 0.00 N ATOM 14553 C8 A B 677 80.177 -14.394 -20.575 1.00 0.00 C ATOM 14554 N7 A B 677 80.495 -13.209 -21.005 1.00 0.00 N ATOM 14555 C5 A B 677 79.437 -12.855 -21.824 1.00 0.00 C ATOM 14556 C6 A B 677 79.170 -11.707 -22.589 1.00 0.00 C ATOM 14557 N6 A B 677 79.995 -10.647 -22.641 1.00 0.00 N ATOM 14558 N1 A B 677 78.023 -11.680 -23.291 1.00 0.00 N ATOM 14559 C2 A B 677 77.208 -12.730 -23.231 1.00 0.00 C ATOM 14560 N3 A B 677 77.351 -13.852 -22.561 1.00 0.00 N ATOM 14561 C4 A B 677 78.502 -13.853 -21.865 1.00 0.00 C ATOM 14562 P C B 678 77.718 -20.307 -24.215 1.00 0.00 P ATOM 14563 O1P C B 678 78.008 -19.461 -25.393 1.00 0.00 O ATOM 14564 O2P C B 678 76.298 -20.638 -23.993 1.00 0.00 O ATOM 14565 O5* C B 678 78.585 -21.651 -24.292 1.00 0.00 O ATOM 14566 C5* C B 678 79.439 -21.869 -25.429 1.00 0.00 C ATOM 14567 C4* C B 678 80.253 -23.134 -25.234 1.00 0.00 C ATOM 14568 O4* C B 678 81.200 -22.919 -24.151 1.00 0.00 O ATOM 14569 C3* C B 678 79.466 -24.370 -24.799 1.00 0.00 C ATOM 14570 O3* C B 678 78.900 -25.027 -25.891 1.00 0.00 O ATOM 14571 C2* C B 678 80.539 -25.203 -24.103 1.00 0.00 C ATOM 14572 O2* C B 678 81.386 -25.826 -25.051 1.00 0.00 O ATOM 14573 C1* C B 678 81.365 -24.120 -23.414 1.00 0.00 C ATOM 14574 N1 C B 678 80.956 -23.862 -22.008 1.00 0.00 N ATOM 14575 C2 C B 678 81.302 -24.808 -21.045 1.00 0.00 C ATOM 14576 O2 C B 678 81.925 -25.812 -21.396 1.00 0.00 O ATOM 14577 N3 C B 678 80.936 -24.588 -19.754 1.00 0.00 N ATOM 14578 C4 C B 678 80.258 -23.483 -19.415 1.00 0.00 C ATOM 14579 N4 C B 678 79.926 -23.317 -18.143 1.00 0.00 N ATOM 14580 C5 C B 678 79.895 -22.500 -20.389 1.00 0.00 C ATOM 14581 C6 C B 678 80.267 -22.737 -21.674 1.00 0.00 C ATOM 14582 P C B 679 77.460 -25.769 -25.702 1.00 0.00 P ATOM 14583 O1P C B 679 76.865 -26.080 -27.020 1.00 0.00 O ATOM 14584 O2P C B 679 76.613 -24.975 -24.785 1.00 0.00 O ATOM 14585 O5* C B 679 77.915 -27.127 -24.982 1.00 0.00 O ATOM 14586 C5* C B 679 78.818 -28.012 -25.669 1.00 0.00 C ATOM 14587 C4* C B 679 79.210 -29.159 -24.761 1.00 0.00 C ATOM 14588 O4* C B 679 80.023 -28.640 -23.668 1.00 0.00 O ATOM 14589 C3* C B 679 78.057 -29.875 -24.057 1.00 0.00 C ATOM 14590 O3* C B 679 77.483 -30.847 -24.869 1.00 0.00 O ATOM 14591 C2* C B 679 78.748 -30.462 -22.828 1.00 0.00 C ATOM 14592 O2* C B 679 79.506 -31.607 -23.178 1.00 0.00 O ATOM 14593 C1* C B 679 79.745 -29.360 -22.476 1.00 0.00 C ATOM 14594 N1 C B 679 79.236 -28.395 -21.464 1.00 0.00 N ATOM 14595 C2 C B 679 79.166 -28.819 -20.140 1.00 0.00 C ATOM 14596 O2 C B 679 79.527 -29.968 -19.863 1.00 0.00 O ATOM 14597 N3 C B 679 78.705 -27.954 -19.200 1.00 0.00 N ATOM 14598 C4 C B 679 78.323 -26.714 -19.543 1.00 0.00 C ATOM 14599 N4 C B 679 77.882 -25.910 -18.589 1.00 0.00 N ATOM 14600 C5 C B 679 78.389 -26.259 -20.896 1.00 0.00 C ATOM 14601 C6 C B 679 78.850 -27.139 -21.822 1.00 0.00 C ATOM 14602 H5 C B 679 78.087 -25.309 -21.124 1.00 0.00 H ATOM 14603 H6 C B 679 78.890 -26.861 -22.798 1.00 0.00 H ATOM 14604 P C B 680 75.879 -31.129 -24.750 1.00 0.00 P ATOM 14605 O1P C B 680 75.408 -31.908 -25.916 1.00 0.00 O ATOM 14606 O2P C B 680 75.175 -29.854 -24.499 1.00 0.00 O ATOM 14607 O5* C B 680 75.833 -32.041 -23.435 1.00 0.00 O ATOM 14608 C5* C B 680 76.538 -33.299 -23.431 1.00 0.00 C ATOM 14609 C4* C B 680 76.464 -33.930 -22.058 1.00 0.00 C ATOM 14610 O4* C B 680 77.232 -33.121 -21.122 1.00 0.00 O ATOM 14611 C3* C B 680 75.071 -34.000 -21.431 1.00 0.00 C ATOM 14612 O3* C B 680 74.365 -35.116 -21.872 1.00 0.00 O ATOM 14613 C2* C B 680 75.393 -34.056 -19.940 1.00 0.00 C ATOM 14614 O2* C B 680 75.841 -35.349 -19.572 1.00 0.00 O ATOM 14615 C1* C B 680 76.602 -33.129 -19.851 1.00 0.00 C ATOM 14616 N1 C B 680 76.252 -31.720 -19.504 1.00 0.00 N ATOM 14617 C2 C B 680 75.887 -31.450 -18.189 1.00 0.00 C ATOM 14618 O2 C B 680 75.866 -32.376 -17.372 1.00 0.00 O ATOM 14619 N3 C B 680 75.565 -30.174 -17.853 1.00 0.00 N ATOM 14620 C4 C B 680 75.597 -29.197 -18.769 1.00 0.00 C ATOM 14621 N4 C B 680 75.272 -27.971 -18.388 1.00 0.00 N ATOM 14622 C5 C B 680 75.969 -29.456 -20.125 1.00 0.00 C ATOM 14623 C6 C B 680 76.287 -30.738 -20.444 1.00 0.00 C ATOM 14624 P G B 681 72.744 -35.002 -22.047 1.00 0.00 P ATOM 14625 O1P G B 681 72.237 -36.133 -22.854 1.00 0.00 O ATOM 14626 O2P G B 681 72.398 -33.650 -22.544 1.00 0.00 O ATOM 14627 O5* G B 681 72.266 -35.162 -20.531 1.00 0.00 O ATOM 14628 C5* G B 681 72.584 -36.372 -19.821 1.00 0.00 C ATOM 14629 C4* G B 681 72.146 -36.255 -18.373 1.00 0.00 C ATOM 14630 O4* G B 681 72.974 -35.257 -17.709 1.00 0.00 O ATOM 14631 C3* G B 681 70.716 -35.754 -18.147 1.00 0.00 C ATOM 14632 O3* G B 681 69.795 -36.793 -18.235 1.00 0.00 O ATOM 14633 C2* G B 681 70.806 -35.162 -16.744 1.00 0.00 C ATOM 14634 O2* G B 681 70.818 -36.186 -15.764 1.00 0.00 O ATOM 14635 C1* G B 681 72.204 -34.544 -16.758 1.00 0.00 C ATOM 14636 N9 G B 681 72.217 -33.107 -17.135 1.00 0.00 N ATOM 14637 C8 G B 681 72.621 -32.522 -18.317 1.00 0.00 C ATOM 14638 N7 G B 681 72.508 -31.214 -18.332 1.00 0.00 N ATOM 14639 C5 G B 681 71.989 -30.912 -17.072 1.00 0.00 C ATOM 14640 C6 G B 681 71.651 -29.660 -16.500 1.00 0.00 C ATOM 14641 O6 G B 681 71.744 -28.540 -16.992 1.00 0.00 O ATOM 14642 N1 G B 681 71.160 -29.810 -15.194 1.00 0.00 N ATOM 14643 C2 G B 681 71.010 -31.013 -14.534 1.00 0.00 C ATOM 14644 N2 G B 681 70.525 -30.941 -13.294 1.00 0.00 N ATOM 14645 N3 G B 681 71.329 -32.188 -15.071 1.00 0.00 N ATOM 14646 C4 G B 681 71.809 -32.059 -16.336 1.00 0.00 C ATOM 14647 P G B 682 68.312 -36.475 -18.841 1.00 0.00 P ATOM 14648 O1P G B 682 67.620 -37.738 -19.191 1.00 0.00 O ATOM 14649 O2P G B 682 68.428 -35.483 -19.933 1.00 0.00 O ATOM 14650 O5* G B 682 67.604 -35.806 -17.572 1.00 0.00 O ATOM 14651 C5* G B 682 67.467 -36.575 -16.364 1.00 0.00 C ATOM 14652 C4* G B 682 66.887 -35.711 -15.258 1.00 0.00 C ATOM 14653 O4* G B 682 67.864 -34.693 -14.897 1.00 0.00 O ATOM 14654 C3* G B 682 65.641 -34.906 -15.633 1.00 0.00 C ATOM 14655 O3* G B 682 64.481 -35.668 -15.501 1.00 0.00 O ATOM 14656 C2* G B 682 65.702 -33.748 -14.639 1.00 0.00 C ATOM 14657 O2* G B 682 65.291 -34.169 -13.351 1.00 0.00 O ATOM 14658 C1* G B 682 67.202 -33.486 -14.562 1.00 0.00 C ATOM 14659 N9 G B 682 67.672 -32.427 -15.498 1.00 0.00 N ATOM 14660 C8 G B 682 68.382 -32.555 -16.674 1.00 0.00 C ATOM 14661 N7 G B 682 68.642 -31.414 -17.266 1.00 0.00 N ATOM 14662 C5 G B 682 68.065 -30.463 -16.425 1.00 0.00 C ATOM 14663 C6 G B 682 68.016 -29.051 -16.541 1.00 0.00 C ATOM 14664 O6 G B 682 68.484 -28.335 -17.423 1.00 0.00 O ATOM 14665 N1 G B 682 67.327 -28.472 -15.465 1.00 0.00 N ATOM 14666 C2 G B 682 66.760 -29.167 -14.415 1.00 0.00 C ATOM 14667 N2 G B 682 66.147 -28.431 -13.488 1.00 0.00 N ATOM 14668 N3 G B 682 66.803 -30.492 -14.309 1.00 0.00 N ATOM 14669 C4 G B 682 67.470 -31.073 -15.347 1.00 0.00 C ATOM 14670 P U B 683 63.247 -35.405 -16.533 1.00 0.00 P ATOM 14671 O1P U B 683 62.284 -36.526 -16.479 1.00 0.00 O ATOM 14672 O2P U B 683 63.788 -35.085 -17.877 1.00 0.00 O ATOM 14673 O5* U B 683 62.590 -34.097 -15.888 1.00 0.00 O ATOM 14674 C5* U B 683 62.080 -34.162 -14.545 1.00 0.00 C ATOM 14675 C4* U B 683 61.622 -32.787 -14.096 1.00 0.00 C ATOM 14676 O4* U B 683 62.786 -31.923 -13.965 1.00 0.00 O ATOM 14677 C3* U B 683 60.713 -32.039 -15.069 1.00 0.00 C ATOM 14678 O3* U B 683 59.382 -32.414 -14.923 1.00 0.00 O ATOM 14679 C2* U B 683 60.962 -30.582 -14.680 1.00 0.00 C ATOM 14680 O2* U B 683 60.276 -30.259 -13.482 1.00 0.00 O ATOM 14681 C1* U B 683 62.450 -30.600 -14.351 1.00 0.00 C ATOM 14682 N1 U B 683 63.320 -30.217 -15.496 1.00 0.00 N ATOM 14683 C2 U B 683 63.358 -28.887 -15.840 1.00 0.00 C ATOM 14684 O2 U B 683 62.715 -28.032 -15.248 1.00 0.00 O ATOM 14685 N3 U B 683 64.177 -28.571 -16.903 1.00 0.00 N ATOM 14686 C4 U B 683 64.943 -29.454 -17.636 1.00 0.00 C ATOM 14687 O4 U B 683 65.641 -29.050 -18.573 1.00 0.00 O ATOM 14688 C5 U B 683 64.839 -30.827 -17.203 1.00 0.00 C ATOM 14689 C6 U B 683 64.049 -31.161 -16.171 1.00 0.00 C ATOM 14690 P G B 684 58.698 -34.013 -15.758 1.00 0.00 P ATOM 14691 O1P G B 684 57.584 -34.437 -14.880 1.00 0.00 O ATOM 14692 O2P G B 684 59.820 -34.972 -15.885 1.00 0.00 O ATOM 14693 O5* G B 684 57.947 -33.856 -17.512 1.00 0.00 O ATOM 14694 C5* G B 684 57.251 -34.754 -18.587 1.00 0.00 C ATOM 14695 C4* G B 684 56.836 -34.144 -20.195 1.00 0.00 C ATOM 14696 O4* G B 684 58.198 -33.617 -20.220 1.00 0.00 O ATOM 14697 C3* G B 684 56.634 -34.699 -21.609 1.00 0.00 C ATOM 14698 O3* G B 684 55.413 -35.362 -22.603 1.00 0.00 O ATOM 14699 C2* G B 684 57.402 -33.690 -22.462 1.00 0.00 C ATOM 14700 O2* G B 684 56.667 -32.492 -22.609 1.00 0.00 O ATOM 14701 C1* G B 684 58.594 -33.374 -21.560 1.00 0.00 C ATOM 14702 N9 G B 684 59.993 -34.297 -21.881 1.00 0.00 N ATOM 14703 C8 G B 684 60.106 -35.518 -22.513 1.00 0.00 C ATOM 14704 N7 G B 684 61.323 -36.006 -22.511 1.00 0.00 N ATOM 14705 C5 G B 684 62.070 -35.044 -21.833 1.00 0.00 C ATOM 14706 C6 G B 684 63.454 -35.013 -21.523 1.00 0.00 C ATOM 14707 O6 G B 684 64.315 -35.847 -21.777 1.00 0.00 O ATOM 14708 N1 G B 684 63.787 -33.848 -20.825 1.00 0.00 N ATOM 14709 C2 G B 684 62.915 -32.840 -20.476 1.00 0.00 C ATOM 14710 N2 G B 684 63.437 -31.808 -19.810 1.00 0.00 N ATOM 14711 N3 G B 684 61.616 -32.868 -20.773 1.00 0.00 N ATOM 14712 C4 G B 684 61.266 -33.996 -21.445 1.00 0.00 C ATOM 14713 P A B 685 53.590 -34.941 -23.242 1.00 0.00 P ATOM 14714 O1P A B 685 53.395 -33.504 -22.939 1.00 0.00 O ATOM 14715 O2P A B 685 52.768 -35.884 -22.452 1.00 0.00 O ATOM 14716 O5* A B 685 52.725 -35.131 -25.001 1.00 0.00 O ATOM 14717 C5* A B 685 51.258 -34.776 -25.555 1.00 0.00 C ATOM 14718 C4* A B 685 50.459 -34.687 -27.118 1.00 0.00 C ATOM 14719 O4* A B 685 51.233 -34.915 -28.328 1.00 0.00 O ATOM 14720 C3* A B 685 49.208 -33.959 -27.613 1.00 0.00 C ATOM 14721 O3* A B 685 47.728 -34.440 -28.126 1.00 0.00 O ATOM 14722 C2* A B 685 49.767 -33.090 -28.733 1.00 0.00 C ATOM 14723 O2* A B 685 50.460 -31.970 -28.213 1.00 0.00 O ATOM 14724 C1* A B 685 50.820 -34.017 -29.342 1.00 0.00 C ATOM 14725 N9 A B 685 50.285 -34.918 -30.663 1.00 0.00 N ATOM 14726 C8 A B 685 49.945 -36.251 -30.708 1.00 0.00 C ATOM 14727 N7 A B 685 49.417 -36.626 -31.830 1.00 0.00 N ATOM 14728 C5 A B 685 49.393 -35.461 -32.590 1.00 0.00 C ATOM 14729 C6 A B 685 48.948 -35.189 -33.890 1.00 0.00 C ATOM 14730 N6 A B 685 48.406 -36.114 -34.702 1.00 0.00 N ATOM 14731 N1 A B 685 49.069 -33.928 -34.342 1.00 0.00 N ATOM 14732 C2 A B 685 49.603 -33.009 -33.534 1.00 0.00 C ATOM 14733 N3 A B 685 50.056 -33.146 -32.310 1.00 0.00 N ATOM 14734 C4 A B 685 49.920 -34.421 -31.880 1.00 0.00 C ATOM 14735 P U B 686 46.934 -33.578 -29.599 1.00 0.00 P ATOM 14736 O1P U B 686 47.886 -33.551 -30.731 1.00 0.00 O ATOM 14737 O2P U B 686 46.325 -32.279 -29.241 1.00 0.00 O ATOM 14738 O5* U B 686 45.567 -34.760 -29.994 1.00 0.00 O ATOM 14739 C5* U B 686 44.187 -34.353 -30.252 1.00 0.00 C ATOM 14740 C4* U B 686 43.506 -34.498 -31.716 1.00 0.00 C ATOM 14741 O4* U B 686 44.188 -35.452 -32.580 1.00 0.00 O ATOM 14742 C3* U B 686 42.021 -34.782 -31.947 1.00 0.00 C ATOM 14743 O3* U B 686 41.063 -33.644 -31.535 1.00 0.00 O ATOM 14744 C2* U B 686 41.990 -35.135 -33.434 1.00 0.00 C ATOM 14745 O2* U B 686 42.096 -33.963 -34.225 1.00 0.00 O ATOM 14746 C1* U B 686 43.303 -35.898 -33.596 1.00 0.00 C ATOM 14747 N1 U B 686 43.160 -37.575 -33.478 1.00 0.00 N ATOM 14748 C2 U B 686 42.098 -38.155 -34.120 1.00 0.00 C ATOM 14749 O2 U B 686 41.283 -37.519 -34.762 1.00 0.00 O ATOM 14750 N3 U B 686 42.002 -39.529 -33.989 1.00 0.00 N ATOM 14751 C4 U B 686 42.868 -40.346 -33.287 1.00 0.00 C ATOM 14752 O4 U B 686 42.679 -41.563 -33.242 1.00 0.00 O ATOM 14753 C5 U B 686 43.950 -39.642 -32.649 1.00 0.00 C ATOM 14754 C6 U B 686 44.067 -38.306 -32.757 1.00 0.00 C ATOM 14755 P C B 687 39.441 -33.785 -30.649 1.00 0.00 P ATOM 14756 O1P C B 687 38.332 -34.501 -31.315 1.00 0.00 O ATOM 14757 O2P C B 687 39.168 -32.377 -30.283 1.00 0.00 O ATOM 14758 O5* C B 687 39.916 -34.600 -29.356 1.00 0.00 O ATOM 14759 C5* C B 687 39.635 -36.009 -29.277 1.00 0.00 C ATOM 14760 C4* C B 687 40.278 -36.598 -28.039 1.00 0.00 C ATOM 14761 O4* C B 687 41.726 -36.563 -28.197 1.00 0.00 O ATOM 14762 C3* C B 687 40.032 -35.840 -26.736 1.00 0.00 C ATOM 14763 O3* C B 687 38.822 -36.206 -26.152 1.00 0.00 O ATOM 14764 C2* C B 687 41.238 -36.250 -25.893 1.00 0.00 C ATOM 14765 O2* C B 687 41.079 -37.565 -25.393 1.00 0.00 O ATOM 14766 C1* C B 687 42.341 -36.309 -26.947 1.00 0.00 C ATOM 14767 N1 C B 687 43.122 -35.047 -27.065 1.00 0.00 N ATOM 14768 C2 C B 687 44.034 -34.749 -26.057 1.00 0.00 C ATOM 14769 O2 C B 687 44.158 -35.538 -25.112 1.00 0.00 O ATOM 14770 N3 C B 687 44.754 -33.601 -26.146 1.00 0.00 N ATOM 14771 C4 C B 687 44.594 -32.773 -27.183 1.00 0.00 C ATOM 14772 N4 C B 687 45.322 -31.667 -27.225 1.00 0.00 N ATOM 14773 C5 C B 687 43.661 -33.059 -28.233 1.00 0.00 C ATOM 14774 C6 C B 687 42.950 -34.209 -28.124 1.00 0.00 C ATOM 14775 P U B 688 37.973 -35.077 -25.331 1.00 0.00 P ATOM 14776 O1P U B 688 36.585 -35.539 -25.112 1.00 0.00 O ATOM 14777 O2P U B 688 38.116 -33.767 -26.005 1.00 0.00 O ATOM 14778 O5* U B 688 38.764 -35.061 -23.938 1.00 0.00 O ATOM 14779 C5* U B 688 38.827 -36.268 -23.160 1.00 0.00 C ATOM 14780 C4* U B 688 39.724 -36.061 -21.952 1.00 0.00 C ATOM 14781 O4* U B 688 41.096 -35.891 -22.412 1.00 0.00 O ATOM 14782 C3* U B 688 39.451 -34.803 -21.131 1.00 0.00 C ATOM 14783 O3* U B 688 38.428 -35.007 -20.204 1.00 0.00 O ATOM 14784 C2* U B 688 40.805 -34.554 -20.468 1.00 0.00 C ATOM 14785 O2* U B 688 41.011 -35.455 -19.393 1.00 0.00 O ATOM 14786 C1* U B 688 41.769 -34.960 -21.579 1.00 0.00 C ATOM 14787 N1 U B 688 42.215 -33.822 -22.429 1.00 0.00 N ATOM 14788 C2 U B 688 43.127 -32.950 -21.883 1.00 0.00 C ATOM 14789 O2 U B 688 43.568 -33.077 -20.753 1.00 0.00 O ATOM 14790 N3 U B 688 43.518 -31.909 -22.700 1.00 0.00 N ATOM 14791 C4 U B 688 43.084 -31.671 -23.988 1.00 0.00 C ATOM 14792 O4 U B 688 43.504 -30.704 -24.626 1.00 0.00 O ATOM 14793 C5 U B 688 42.128 -32.638 -24.475 1.00 0.00 C ATOM 14794 C6 U B 688 41.732 -33.661 -23.701 1.00 0.00 C ATOM 14795 P A B 689 37.438 -33.762 -19.844 1.00 0.00 P ATOM 14796 O1P A B 689 36.227 -34.256 -19.150 1.00 0.00 O ATOM 14797 O2P A B 689 37.198 -32.953 -21.063 1.00 0.00 O ATOM 14798 O5* A B 689 38.350 -32.938 -18.819 1.00 0.00 O ATOM 14799 C5* A B 689 38.779 -33.575 -17.600 1.00 0.00 C ATOM 14800 C4* A B 689 39.728 -32.664 -16.845 1.00 0.00 C ATOM 14801 O4* A B 689 40.964 -32.539 -17.607 1.00 0.00 O ATOM 14802 C3* A B 689 39.261 -31.218 -16.664 1.00 0.00 C ATOM 14803 O3* A B 689 38.422 -31.089 -15.559 1.00 0.00 O ATOM 14804 C2* A B 689 40.583 -30.475 -16.491 1.00 0.00 C ATOM 14805 O2* A B 689 41.109 -30.679 -15.192 1.00 0.00 O ATOM 14806 C1* A B 689 41.487 -31.229 -17.460 1.00 0.00 C ATOM 14807 N9 A B 689 41.563 -30.612 -18.816 1.00 0.00 N ATOM 14808 C8 A B 689 40.986 -31.030 -19.993 1.00 0.00 C ATOM 14809 N7 A B 689 41.246 -30.265 -21.007 1.00 0.00 N ATOM 14810 C5 A B 689 42.043 -29.264 -20.479 1.00 0.00 C ATOM 14811 C6 A B 689 42.651 -28.134 -21.051 1.00 0.00 C ATOM 14812 N6 A B 689 42.541 -27.812 -22.348 1.00 0.00 N ATOM 14813 N1 A B 689 43.378 -27.344 -20.238 1.00 0.00 N ATOM 14814 C2 A B 689 43.485 -27.668 -18.951 1.00 0.00 C ATOM 14815 N3 A B 689 42.964 -28.692 -18.308 1.00 0.00 N ATOM 14816 C4 A B 689 42.239 -29.465 -19.143 1.00 0.00 C ATOM 14817 P G B 690 37.212 -29.995 -15.615 1.00 0.00 P ATOM 14818 O1P G B 690 36.234 -30.255 -14.536 1.00 0.00 O ATOM 14819 O2P G B 690 36.660 -29.943 -16.988 1.00 0.00 O ATOM 14820 O5* G B 690 38.014 -28.646 -15.305 1.00 0.00 O ATOM 14821 C5* G B 690 38.711 -28.521 -14.051 1.00 0.00 C ATOM 14822 C4* G B 690 39.498 -27.224 -14.022 1.00 0.00 C ATOM 14823 O4* G B 690 40.580 -27.310 -14.992 1.00 0.00 O ATOM 14824 C3* G B 690 38.727 -25.969 -14.435 1.00 0.00 C ATOM 14825 O3* G B 690 38.010 -25.435 -13.368 1.00 0.00 O ATOM 14826 C2* G B 690 39.852 -25.049 -14.909 1.00 0.00 C ATOM 14827 O2* G B 690 40.550 -24.500 -13.804 1.00 0.00 O ATOM 14828 C1* G B 690 40.793 -26.037 -15.585 1.00 0.00 C ATOM 14829 N9 G B 690 40.575 -26.169 -17.053 1.00 0.00 N ATOM 14830 C8 G B 690 39.988 -27.200 -17.754 1.00 0.00 C ATOM 14831 N7 G B 690 39.945 -27.005 -19.050 1.00 0.00 N ATOM 14832 C5 G B 690 40.547 -25.756 -19.219 1.00 0.00 C ATOM 14833 C6 G B 690 40.791 -25.012 -20.401 1.00 0.00 C ATOM 14834 O6 G B 690 40.521 -25.304 -21.563 1.00 0.00 O ATOM 14835 N1 G B 690 41.424 -23.796 -20.116 1.00 0.00 N ATOM 14836 C2 G B 690 41.778 -23.356 -18.856 1.00 0.00 C ATOM 14837 N2 G B 690 42.374 -22.164 -18.793 1.00 0.00 N ATOM 14838 N3 G B 690 41.548 -24.057 -17.746 1.00 0.00 N ATOM 14839 C4 G B 690 40.935 -25.241 -18.005 1.00 0.00 C ATOM 14840 P C B 691 36.577 -24.710 -13.671 1.00 0.00 P ATOM 14841 O1P C B 691 35.813 -24.543 -12.417 1.00 0.00 O ATOM 14842 O2P C B 691 35.883 -25.430 -14.759 1.00 0.00 O ATOM 14843 O5* C B 691 37.071 -23.279 -14.196 1.00 0.00 O ATOM 14844 C5* C B 691 37.852 -22.448 -13.320 1.00 0.00 C ATOM 14845 C4* C B 691 38.314 -21.205 -14.060 1.00 0.00 C ATOM 14846 O4* C B 691 39.273 -21.598 -15.082 1.00 0.00 O ATOM 14847 C3* C B 691 37.232 -20.455 -14.838 1.00 0.00 C ATOM 14848 O3* C B 691 36.529 -19.575 -14.014 1.00 0.00 O ATOM 14849 C2* C B 691 38.053 -19.733 -15.904 1.00 0.00 C ATOM 14850 O2* C B 691 38.721 -18.610 -15.356 1.00 0.00 O ATOM 14851 C1* C B 691 39.121 -20.772 -16.227 1.00 0.00 C ATOM 14852 N1 C B 691 38.777 -21.646 -17.383 1.00 0.00 N ATOM 14853 C2 C B 691 38.858 -21.097 -18.658 1.00 0.00 C ATOM 14854 O2 C B 691 39.210 -19.917 -18.779 1.00 0.00 O ATOM 14855 N3 C B 691 38.551 -21.876 -19.725 1.00 0.00 N ATOM 14856 C4 C B 691 38.173 -23.149 -19.555 1.00 0.00 C ATOM 14857 N4 C B 691 37.882 -23.870 -20.627 1.00 0.00 N ATOM 14858 C5 C B 691 38.082 -23.736 -18.251 1.00 0.00 C ATOM 14859 C6 C B 691 38.394 -22.937 -17.200 1.00 0.00 C ATOM 14860 P C B 692 34.943 -19.319 -14.312 1.00 0.00 P ATOM 14861 O1P C B 692 34.303 -18.671 -13.146 1.00 0.00 O ATOM 14862 O2P C B 692 34.320 -20.582 -14.771 1.00 0.00 O ATOM 14863 O5* C B 692 35.030 -18.286 -15.529 1.00 0.00 O ATOM 14864 C5* C B 692 35.686 -17.021 -15.323 1.00 0.00 C ATOM 14865 C4* C B 692 35.761 -16.257 -16.631 1.00 0.00 C ATOM 14866 O4* C B 692 36.669 -16.956 -17.532 1.00 0.00 O ATOM 14867 C3* C B 692 34.458 -16.161 -17.424 1.00 0.00 C ATOM 14868 O3* C B 692 33.661 -15.106 -16.974 1.00 0.00 O ATOM 14869 C2* C B 692 34.961 -15.953 -18.847 1.00 0.00 C ATOM 14870 O2* C B 692 35.408 -14.621 -19.034 1.00 0.00 O ATOM 14871 C1* C B 692 36.202 -16.839 -18.868 1.00 0.00 C ATOM 14872 N1 C B 692 35.948 -18.213 -19.386 1.00 0.00 N ATOM 14873 C2 C B 692 35.759 -18.364 -20.757 1.00 0.00 C ATOM 14874 O2 C B 692 35.811 -17.361 -21.481 1.00 0.00 O ATOM 14875 N3 C B 692 35.526 -19.607 -21.250 1.00 0.00 N ATOM 14876 C4 C B 692 35.479 -20.668 -20.434 1.00 0.00 C ATOM 14877 N4 C B 692 35.247 -21.859 -20.966 1.00 0.00 N ATOM 14878 C5 C B 692 35.669 -20.535 -19.022 1.00 0.00 C ATOM 14879 C6 C B 692 35.901 -19.281 -18.549 1.00 0.00 C ATOM 14880 P A B 693 32.040 -15.276 -17.017 1.00 0.00 P ATOM 14881 O1P A B 693 31.393 -14.240 -16.179 1.00 0.00 O ATOM 14882 O2P A B 693 31.680 -16.677 -16.697 1.00 0.00 O ATOM 14883 O5* A B 693 31.745 -14.982 -18.561 1.00 0.00 O ATOM 14884 C5* A B 693 32.108 -13.701 -19.109 1.00 0.00 C ATOM 14885 C4* A B 693 31.858 -13.685 -20.604 1.00 0.00 C ATOM 14886 O4* A B 693 32.800 -14.593 -21.246 1.00 0.00 O ATOM 14887 C3* A B 693 30.489 -14.194 -21.057 1.00 0.00 C ATOM 14888 O3* A B 693 29.526 -13.190 -20.993 1.00 0.00 O ATOM 14889 C2* A B 693 30.772 -14.645 -22.487 1.00 0.00 C ATOM 14890 O2* A B 693 30.872 -13.531 -23.358 1.00 0.00 O ATOM 14891 C1* A B 693 32.177 -15.227 -22.352 1.00 0.00 C ATOM 14892 N9 A B 693 32.195 -16.697 -22.110 1.00 0.00 N ATOM 14893 C8 A B 693 32.468 -17.380 -20.947 1.00 0.00 C ATOM 14894 N7 A B 693 32.401 -18.672 -21.065 1.00 0.00 N ATOM 14895 C5 A B 693 32.057 -18.867 -22.396 1.00 0.00 C ATOM 14896 C6 A B 693 31.830 -20.028 -23.154 1.00 0.00 C ATOM 14897 N6 A B 693 31.922 -21.265 -22.654 1.00 0.00 N ATOM 14898 N1 A B 693 31.508 -19.865 -24.449 1.00 0.00 N ATOM 14899 C2 A B 693 31.418 -18.630 -24.942 1.00 0.00 C ATOM 14900 N3 A B 693 31.608 -17.479 -24.334 1.00 0.00 N ATOM 14901 C4 A B 693 31.929 -17.669 -23.037 1.00 0.00 C ATOM 14902 P U B 694 27.991 -13.597 -20.611 1.00 0.00 P ATOM 14903 O1P U B 694 27.217 -12.393 -20.235 1.00 0.00 O ATOM 14904 O2P U B 694 28.006 -14.690 -19.612 1.00 0.00 O ATOM 14905 O5* U B 694 27.473 -14.158 -22.018 1.00 0.00 O ATOM 14906 C5* U B 694 27.460 -13.280 -23.156 1.00 0.00 C ATOM 14907 C4* U B 694 27.054 -14.045 -24.400 1.00 0.00 C ATOM 14908 O4* U B 694 28.102 -14.999 -24.730 1.00 0.00 O ATOM 14909 C3* U B 694 25.798 -14.909 -24.267 1.00 0.00 C ATOM 14910 O3* U B 694 24.642 -14.165 -24.474 1.00 0.00 O ATOM 14911 C2* U B 694 26.022 -15.964 -25.350 1.00 0.00 C ATOM 14912 O2* U B 694 25.761 -15.429 -26.633 1.00 0.00 O ATOM 14913 C1* U B 694 27.528 -16.183 -25.259 1.00 0.00 C ATOM 14914 N1 U B 694 27.917 -17.317 -24.372 1.00 0.00 N ATOM 14915 C2 U B 694 27.705 -18.586 -24.853 1.00 0.00 C ATOM 14916 O2 U B 694 27.224 -18.810 -25.950 1.00 0.00 O ATOM 14917 N3 U B 694 28.076 -19.611 -24.005 1.00 0.00 N ATOM 14918 C4 U B 694 28.626 -19.475 -22.746 1.00 0.00 C ATOM 14919 O4 U B 694 28.917 -20.470 -22.079 1.00 0.00 O ATOM 14920 C5 U B 694 28.810 -18.106 -22.329 1.00 0.00 C ATOM 14921 C6 U B 694 28.457 -17.090 -23.135 1.00 0.00 C ATOM 14922 P G B 695 23.297 -14.557 -23.636 1.00 0.00 P ATOM 14923 O1P G B 695 22.307 -13.455 -23.709 1.00 0.00 O ATOM 14924 O2P G B 695 23.673 -14.991 -22.274 1.00 0.00 O ATOM 14925 O5* G B 695 22.770 -15.810 -24.481 1.00 0.00 O ATOM 14926 C5* G B 695 22.430 -15.626 -25.866 1.00 0.00 C ATOM 14927 C4* G B 695 22.078 -16.959 -26.496 1.00 0.00 C ATOM 14928 O4* G B 695 23.281 -17.781 -26.559 1.00 0.00 O ATOM 14929 C3* G B 695 21.084 -17.821 -25.721 1.00 0.00 C ATOM 14930 O3* G B 695 19.767 -17.462 -26.001 1.00 0.00 O ATOM 14931 C2* G B 695 21.428 -19.227 -26.210 1.00 0.00 C ATOM 14932 O2* G B 695 20.909 -19.444 -27.513 1.00 0.00 O ATOM 14933 C1* G B 695 22.944 -19.142 -26.345 1.00 0.00 C ATOM 14934 N9 G B 695 23.681 -19.615 -25.138 1.00 0.00 N ATOM 14935 C8 G B 695 24.344 -18.879 -24.180 1.00 0.00 C ATOM 14936 N7 G B 695 24.893 -19.607 -23.237 1.00 0.00 N ATOM 14937 C5 G B 695 24.568 -20.913 -23.593 1.00 0.00 C ATOM 14938 C6 G B 695 24.886 -22.138 -22.955 1.00 0.00 C ATOM 14939 O6 G B 695 25.530 -22.330 -21.926 1.00 0.00 O ATOM 14940 N1 G B 695 24.359 -23.233 -23.658 1.00 0.00 N ATOM 14941 C2 G B 695 23.620 -23.151 -24.822 1.00 0.00 C ATOM 14942 N2 G B 695 23.208 -24.312 -25.338 1.00 0.00 N ATOM 14943 N3 G B 695 23.324 -22.000 -25.420 1.00 0.00 N ATOM 14944 C4 G B 695 23.829 -20.929 -24.753 1.00 0.00 C ATOM 14945 P G B 696 18.651 -17.583 -24.816 1.00 0.00 P ATOM 14946 O1P G B 696 17.432 -16.827 -25.183 1.00 0.00 O ATOM 14947 O2P G B 696 19.268 -17.222 -23.520 1.00 0.00 O ATOM 14948 O5* G B 696 18.344 -19.152 -24.851 1.00 0.00 O ATOM 14949 C5* G B 696 17.820 -19.734 -26.060 1.00 0.00 C ATOM 14950 C4* G B 696 17.725 -21.240 -25.912 1.00 0.00 C ATOM 14951 O4* G B 696 19.070 -21.792 -25.836 1.00 0.00 O ATOM 14952 C3* G B 696 17.048 -21.741 -24.637 1.00 0.00 C ATOM 14953 O3* G B 696 15.662 -21.770 -24.768 1.00 0.00 O ATOM 14954 C2* G B 696 17.656 -23.135 -24.480 1.00 0.00 C ATOM 14955 O2* G B 696 17.065 -24.047 -25.389 1.00 0.00 O ATOM 14956 C1* G B 696 19.086 -22.902 -24.952 1.00 0.00 C ATOM 14957 N9 G B 696 20.039 -22.595 -23.848 1.00 0.00 N ATOM 14958 C8 G B 696 20.615 -21.390 -23.504 1.00 0.00 C ATOM 14959 N7 G B 696 21.417 -21.461 -22.468 1.00 0.00 N ATOM 14960 C5 G B 696 21.372 -22.805 -22.102 1.00 0.00 C ATOM 14961 C6 G B 696 22.033 -23.489 -21.052 1.00 0.00 C ATOM 14962 O6 G B 696 22.813 -23.046 -20.212 1.00 0.00 O ATOM 14963 N1 G B 696 21.702 -24.853 -21.038 1.00 0.00 N ATOM 14964 C2 G B 696 20.844 -25.473 -21.925 1.00 0.00 C ATOM 14965 N2 G B 696 20.658 -26.781 -21.745 1.00 0.00 N ATOM 14966 N3 G B 696 20.221 -24.828 -22.911 1.00 0.00 N ATOM 14967 C4 G B 696 20.533 -23.504 -22.937 1.00 0.00 C ATOM 14968 P G B 697 14.741 -21.455 -23.460 1.00 0.00 P ATOM 14969 O1P G B 697 13.348 -21.172 -23.869 1.00 0.00 O ATOM 14970 O2P G B 697 15.394 -20.410 -22.637 1.00 0.00 O ATOM 14971 O5* G B 697 14.808 -22.860 -22.697 1.00 0.00 O ATOM 14972 C5* G B 697 14.305 -24.037 -23.360 1.00 0.00 C ATOM 14973 C4* G B 697 14.583 -25.264 -22.515 1.00 0.00 C ATOM 14974 O4* G B 697 16.017 -25.497 -22.477 1.00 0.00 O ATOM 14975 C3* G B 697 14.183 -25.163 -21.042 1.00 0.00 C ATOM 14976 O3* G B 697 12.836 -25.462 -20.852 1.00 0.00 O ATOM 14977 C2* G B 697 15.112 -26.183 -20.389 1.00 0.00 C ATOM 14978 O2* G B 697 14.653 -27.505 -20.629 1.00 0.00 O ATOM 14979 C1* G B 697 16.388 -26.003 -21.205 1.00 0.00 C ATOM 14980 N9 G B 697 17.360 -25.050 -20.593 1.00 0.00 N ATOM 14981 C8 G B 697 17.670 -23.765 -20.974 1.00 0.00 C ATOM 14982 N7 G B 697 18.575 -23.190 -20.219 1.00 0.00 N ATOM 14983 C5 G B 697 18.885 -24.166 -19.271 1.00 0.00 C ATOM 14984 C6 G B 697 19.801 -24.129 -18.188 1.00 0.00 C ATOM 14985 O6 G B 697 20.539 -23.214 -17.833 1.00 0.00 O ATOM 14986 N1 G B 697 19.797 -25.337 -17.477 1.00 0.00 N ATOM 14987 C2 G B 697 19.014 -26.435 -17.774 1.00 0.00 C ATOM 14988 N2 G B 697 19.160 -27.495 -16.974 1.00 0.00 N ATOM 14989 N3 G B 697 18.159 -26.469 -18.791 1.00 0.00 N ATOM 14990 C4 G B 697 18.146 -25.302 -19.493 1.00 0.00 C ATOM 14991 P C B 698 11.221 -25.893 -19.946 1.00 0.00 P ATOM 14992 O1P C B 698 9.892 -26.146 -20.551 1.00 0.00 O ATOM 14993 O2P C B 698 11.266 -24.828 -18.921 1.00 0.00 O ATOM 14994 O5* C B 698 11.805 -27.255 -19.344 1.00 0.00 O ATOM 14995 C5* C B 698 11.933 -28.403 -20.202 1.00 0.00 C ATOM 14996 C4* C B 698 12.621 -29.531 -19.460 1.00 0.00 C ATOM 14997 O4* C B 698 14.005 -29.154 -19.207 1.00 0.00 O ATOM 14998 C3* C B 698 12.068 -29.853 -18.071 1.00 0.00 C ATOM 14999 O3* C B 698 10.970 -30.707 -18.147 1.00 0.00 O ATOM 15000 C2* C B 698 13.270 -30.496 -17.389 1.00 0.00 C ATOM 15001 O2* C B 698 13.456 -31.825 -17.839 1.00 0.00 O ATOM 15002 C1* C B 698 14.424 -29.671 -17.954 1.00 0.00 C ATOM 15003 N1 C B 698 14.815 -28.520 -17.091 1.00 0.00 N ATOM 15004 C2 C B 698 15.520 -28.795 -15.923 1.00 0.00 C ATOM 15005 O2 C B 698 15.792 -29.972 -15.654 1.00 0.00 O ATOM 15006 N3 C B 698 15.888 -27.762 -15.124 1.00 0.00 N ATOM 15007 C4 C B 698 15.576 -26.502 -15.451 1.00 0.00 C ATOM 15008 N4 C B 698 15.956 -25.529 -14.636 1.00 0.00 N ATOM 15009 C5 C B 698 14.850 -26.197 -16.645 1.00 0.00 C ATOM 15010 C6 C B 698 14.492 -27.244 -17.430 1.00 0.00 C ATOM 15011 P A B 699 9.144 -30.710 -17.624 1.00 0.00 P ATOM 15012 O1P A B 699 8.461 -29.848 -18.613 1.00 0.00 O ATOM 15013 O2P A B 699 8.982 -30.316 -16.204 1.00 0.00 O ATOM 15014 O5* A B 699 8.419 -32.480 -17.778 1.00 0.00 O ATOM 15015 C5* A B 699 7.458 -33.647 -18.204 1.00 0.00 C ATOM 15016 C4* A B 699 6.600 -34.823 -17.251 1.00 0.00 C ATOM 15017 O4* A B 699 6.808 -34.658 -15.819 1.00 0.00 O ATOM 15018 C3* A B 699 6.245 -36.307 -17.400 1.00 0.00 C ATOM 15019 O3* A B 699 6.443 -37.229 -18.739 1.00 0.00 O ATOM 15020 C2* A B 699 7.131 -36.957 -16.338 1.00 0.00 C ATOM 15021 O2* A B 699 8.476 -37.029 -16.777 1.00 0.00 O ATOM 15022 C1* A B 699 7.082 -35.916 -15.221 1.00 0.00 C ATOM 15023 N9 A B 699 5.883 -36.216 -14.004 1.00 0.00 N ATOM 15024 C8 A B 699 4.826 -35.412 -13.629 1.00 0.00 C ATOM 15025 N7 A B 699 4.235 -35.797 -12.544 1.00 0.00 N ATOM 15026 C5 A B 699 4.934 -36.934 -12.159 1.00 0.00 C ATOM 15027 C6 A B 699 4.792 -37.810 -11.072 1.00 0.00 C ATOM 15028 N6 A B 699 3.850 -37.676 -10.129 1.00 0.00 N ATOM 15029 N1 A B 699 5.661 -38.836 -10.989 1.00 0.00 N ATOM 15030 C2 A B 699 6.593 -38.967 -11.931 1.00 0.00 C ATOM 15031 N3 A B 699 6.820 -38.216 -12.988 1.00 0.00 N ATOM 15032 C4 A B 699 5.938 -37.195 -13.042 1.00 0.00 C ATOM 15033 P G B 700 5.436 -38.658 -19.541 1.00 0.00 P ATOM 15034 O1P G B 700 4.859 -37.903 -20.672 1.00 0.00 O ATOM 15035 O2P G B 700 4.467 -39.388 -18.691 1.00 0.00 O ATOM 15036 O5* G B 700 6.555 -39.668 -20.078 1.00 0.00 O ATOM 15037 C5* G B 700 7.532 -39.192 -21.024 1.00 0.00 C ATOM 15038 C4* G B 700 8.558 -40.271 -21.295 1.00 0.00 C ATOM 15039 O4* G B 700 9.345 -40.487 -20.089 1.00 0.00 O ATOM 15040 C3* G B 700 7.999 -41.656 -21.623 1.00 0.00 C ATOM 15041 O3* G B 700 7.673 -41.770 -22.974 1.00 0.00 O ATOM 15042 C2* G B 700 9.152 -42.572 -21.215 1.00 0.00 C ATOM 15043 O2* G B 700 10.187 -42.539 -22.184 1.00 0.00 O ATOM 15044 C1* G B 700 9.683 -41.863 -19.973 1.00 0.00 C ATOM 15045 N9 G B 700 9.109 -42.373 -18.701 1.00 0.00 N ATOM 15046 C8 G B 700 8.171 -41.793 -17.873 1.00 0.00 C ATOM 15047 N7 G B 700 7.875 -42.509 -16.817 1.00 0.00 N ATOM 15048 C5 G B 700 8.670 -43.647 -16.951 1.00 0.00 C ATOM 15049 C6 G B 700 8.790 -44.786 -16.114 1.00 0.00 C ATOM 15050 O6 G B 700 8.206 -45.032 -15.062 1.00 0.00 O ATOM 15051 N1 G B 700 9.715 -45.705 -16.629 1.00 0.00 N ATOM 15052 C2 G B 700 10.432 -45.545 -17.800 1.00 0.00 C ATOM 15053 N2 G B 700 11.264 -46.535 -18.117 1.00 0.00 N ATOM 15054 N3 G B 700 10.320 -44.476 -18.584 1.00 0.00 N ATOM 15055 C4 G B 700 9.428 -43.572 -18.101 1.00 0.00 C ATOM 15056 P G B 701 6.400 -42.697 -23.398 1.00 0.00 P ATOM 15057 O1P G B 701 5.996 -42.403 -24.791 1.00 0.00 O ATOM 15058 O2P G B 701 5.335 -42.566 -22.378 1.00 0.00 O ATOM 15059 O5* G B 701 7.048 -44.157 -23.320 1.00 0.00 O ATOM 15060 C5* G B 701 8.168 -44.469 -24.170 1.00 0.00 C ATOM 15061 C4* G B 701 8.698 -45.851 -23.843 1.00 0.00 C ATOM 15062 O4* G B 701 9.293 -45.824 -22.512 1.00 0.00 O ATOM 15063 C3* G B 701 7.653 -46.962 -23.758 1.00 0.00 C ATOM 15064 O3* G B 701 7.359 -47.488 -25.013 1.00 0.00 O ATOM 15065 C2* G B 701 8.337 -47.975 -22.840 1.00 0.00 C ATOM 15066 O2* G B 701 9.335 -48.695 -23.544 1.00 0.00 O ATOM 15067 C1* G B 701 9.057 -47.061 -21.856 1.00 0.00 C ATOM 15068 N9 G B 701 8.281 -46.783 -20.617 1.00 0.00 N ATOM 15069 C8 G B 701 7.619 -45.636 -20.241 1.00 0.00 C ATOM 15070 N7 G B 701 7.026 -45.719 -19.074 1.00 0.00 N ATOM 15071 C5 G B 701 7.316 -47.012 -18.647 1.00 0.00 C ATOM 15072 C6 G B 701 6.944 -47.685 -17.453 1.00 0.00 C ATOM 15073 O6 G B 701 6.272 -47.269 -16.514 1.00 0.00 O ATOM 15074 N1 G B 701 7.454 -48.990 -17.424 1.00 0.00 N ATOM 15075 C2 G B 701 8.218 -49.571 -18.416 1.00 0.00 C ATOM 15076 N2 G B 701 8.606 -50.830 -18.196 1.00 0.00 N ATOM 15077 N3 G B 701 8.564 -48.941 -19.535 1.00 0.00 N ATOM 15078 C4 G B 701 8.080 -47.671 -19.580 1.00 0.00 C ATOM 15079 P U B 702 5.840 -48.001 -25.315 1.00 0.00 P ATOM 15080 O1P U B 702 5.634 -48.170 -26.771 1.00 0.00 O ATOM 15081 O2P U B 702 4.874 -47.114 -24.628 1.00 0.00 O ATOM 15082 O5* U B 702 5.860 -49.434 -24.602 1.00 0.00 O ATOM 15083 C5* U B 702 6.798 -50.427 -25.058 1.00 0.00 C ATOM 15084 C4* U B 702 6.729 -51.650 -24.168 1.00 0.00 C ATOM 15085 O4* U B 702 7.236 -51.301 -22.847 1.00 0.00 O ATOM 15086 C3* U B 702 5.329 -52.197 -23.891 1.00 0.00 C ATOM 15087 O3* U B 702 4.901 -53.044 -24.912 1.00 0.00 O ATOM 15088 C2* U B 702 5.525 -52.927 -22.563 1.00 0.00 C ATOM 15089 O2* U B 702 6.186 -54.163 -22.762 1.00 0.00 O ATOM 15090 C1* U B 702 6.512 -52.007 -21.851 1.00 0.00 C ATOM 15091 N1 U B 702 5.860 -51.006 -20.960 1.00 0.00 N ATOM 15092 C2 U B 702 5.345 -51.466 -19.773 1.00 0.00 C ATOM 15093 O2 U B 702 5.403 -52.636 -19.436 1.00 0.00 O ATOM 15094 N3 U B 702 4.749 -50.510 -18.974 1.00 0.00 N ATOM 15095 C4 U B 702 4.628 -49.166 -19.258 1.00 0.00 C ATOM 15096 O4 U B 702 4.074 -48.402 -18.462 1.00 0.00 O ATOM 15097 C5 U B 702 5.198 -48.776 -20.526 1.00 0.00 C ATOM 15098 C6 U B 702 5.784 -49.688 -21.324 1.00 0.00 C ATOM 15099 P U B 703 3.312 -53.074 -25.291 1.00 0.00 P ATOM 15100 O1P U B 703 3.112 -53.729 -26.604 1.00 0.00 O ATOM 15101 O2P U B 703 2.750 -51.709 -25.161 1.00 0.00 O ATOM 15102 O5* U B 703 2.742 -54.010 -24.125 1.00 0.00 O ATOM 15103 C5* U B 703 3.229 -55.361 -24.013 1.00 0.00 C ATOM 15104 C4* U B 703 2.652 -56.016 -22.775 1.00 0.00 C ATOM 15105 O4* U B 703 3.207 -55.368 -21.596 1.00 0.00 O ATOM 15106 C3* U B 703 1.141 -55.885 -22.594 1.00 0.00 C ATOM 15107 O3* U B 703 0.451 -56.865 -23.308 1.00 0.00 O ATOM 15108 C2* U B 703 0.985 -56.040 -21.082 1.00 0.00 C ATOM 15109 O2* U B 703 1.113 -57.399 -20.699 1.00 0.00 O ATOM 15110 C1* U B 703 2.226 -55.315 -20.569 1.00 0.00 C ATOM 15111 N1 U B 703 1.988 -53.883 -20.234 1.00 0.00 N ATOM 15112 C2 U B 703 1.291 -53.621 -19.080 1.00 0.00 C ATOM 15113 O2 U B 703 0.873 -54.497 -18.342 1.00 0.00 O ATOM 15114 N3 U B 703 1.090 -52.285 -18.802 1.00 0.00 N ATOM 15115 C4 U B 703 1.518 -51.214 -19.561 1.00 0.00 C ATOM 15116 O4 U B 703 1.277 -50.057 -19.206 1.00 0.00 O ATOM 15117 C5 U B 703 2.243 -51.590 -20.753 1.00 0.00 C ATOM 15118 C6 U B 703 2.449 -52.884 -21.047 1.00 0.00 C ATOM 15119 P G B 704 -1.394 -56.645 -23.450 1.00 0.00 P ATOM 15120 O1P G B 704 -2.061 -57.330 -22.316 1.00 0.00 O ATOM 15121 O2P G B 704 -1.827 -57.069 -24.798 1.00 0.00 O ATOM 15122 O5* G B 704 -1.597 -54.812 -23.300 1.00 0.00 O ATOM 15123 C5* G B 704 -2.089 -53.437 -23.503 1.00 0.00 C ATOM 15124 C4* G B 704 -3.708 -53.091 -23.450 1.00 0.00 C ATOM 15125 O4* G B 704 -4.451 -53.712 -22.362 1.00 0.00 O ATOM 15126 C3* G B 704 -4.314 -51.693 -23.560 1.00 0.00 C ATOM 15127 O3* G B 704 -3.724 -50.267 -23.554 1.00 0.00 O ATOM 15128 C2* G B 704 -5.788 -51.955 -23.248 1.00 0.00 C ATOM 15129 O2* G B 704 -6.440 -52.546 -24.359 1.00 0.00 O ATOM 15130 C1* G B 704 -5.682 -53.032 -22.171 1.00 0.00 C ATOM 15131 N9 G B 704 -5.728 -52.437 -20.552 1.00 0.00 N ATOM 15132 C8 G B 704 -6.715 -51.712 -19.917 1.00 0.00 C ATOM 15133 N7 G B 704 -6.400 -51.341 -18.697 1.00 0.00 N ATOM 15134 C5 G B 704 -5.121 -51.859 -18.507 1.00 0.00 C ATOM 15135 C6 G B 704 -4.260 -51.785 -17.384 1.00 0.00 C ATOM 15136 O6 G B 704 -4.456 -51.238 -16.302 1.00 0.00 O ATOM 15137 N1 G B 704 -3.052 -52.446 -17.622 1.00 0.00 N ATOM 15138 C2 G B 704 -2.718 -53.099 -18.791 1.00 0.00 C ATOM 15139 N2 G B 704 -1.509 -53.674 -18.819 1.00 0.00 N ATOM 15140 N3 G B 704 -3.522 -53.171 -19.844 1.00 0.00 N ATOM 15141 C4 G B 704 -4.699 -52.528 -19.634 1.00 0.00 C ATOM 15142 P A B 705 -4.764 -49.015 -24.445 1.00 0.00 P ATOM 15143 O1P A B 705 -5.757 -49.698 -25.299 1.00 0.00 O ATOM 15144 O2P A B 705 -3.896 -48.024 -25.121 1.00 0.00 O ATOM 15145 O5* A B 705 -5.617 -48.241 -22.998 1.00 0.00 O ATOM 15146 C5* A B 705 -6.534 -47.256 -22.376 1.00 0.00 C ATOM 15147 C4* A B 705 -8.101 -47.269 -22.940 1.00 0.00 C ATOM 15148 O4* A B 705 -8.187 -48.345 -23.918 1.00 0.00 O ATOM 15149 C3* A B 705 -9.346 -47.465 -22.070 1.00 0.00 C ATOM 15150 O3* A B 705 -9.893 -46.139 -21.367 1.00 0.00 O ATOM 15151 C2* A B 705 -10.377 -47.942 -23.089 1.00 0.00 C ATOM 15152 O2* A B 705 -10.848 -46.857 -23.875 1.00 0.00 O ATOM 15153 C1* A B 705 -9.520 -48.812 -24.006 1.00 0.00 C ATOM 15154 N9 A B 705 -9.532 -50.477 -23.625 1.00 0.00 N ATOM 15155 C8 A B 705 -9.230 -51.544 -24.443 1.00 0.00 C ATOM 15156 N7 A B 705 -9.148 -52.679 -23.819 1.00 0.00 N ATOM 15157 C5 A B 705 -9.407 -52.353 -22.495 1.00 0.00 C ATOM 15158 C6 A B 705 -9.468 -53.127 -21.326 1.00 0.00 C ATOM 15159 N6 A B 705 -9.260 -54.448 -21.298 1.00 0.00 N ATOM 15160 N1 A B 705 -9.756 -52.487 -20.175 1.00 0.00 N ATOM 15161 C2 A B 705 -9.961 -51.173 -20.206 1.00 0.00 C ATOM 15162 N3 A B 705 -9.928 -50.350 -21.233 1.00 0.00 N ATOM 15163 C4 A B 705 -9.644 -51.016 -22.371 1.00 0.00 C ATOM 15164 P A B 706 -11.346 -46.207 -20.189 1.00 0.00 P ATOM 15165 O1P A B 706 -10.820 -46.141 -18.806 1.00 0.00 O ATOM 15166 O2P A B 706 -12.184 -47.383 -20.506 1.00 0.00 O ATOM 15167 O5* A B 706 -12.334 -44.641 -20.507 1.00 0.00 O ATOM 15168 C5* A B 706 -13.460 -43.660 -20.208 1.00 0.00 C ATOM 15169 C4* A B 706 -15.009 -44.327 -20.167 1.00 0.00 C ATOM 15170 O4* A B 706 -14.639 -45.735 -20.156 1.00 0.00 O ATOM 15171 C3* A B 706 -16.143 -44.235 -19.148 1.00 0.00 C ATOM 15172 O3* A B 706 -17.271 -43.124 -19.616 1.00 0.00 O ATOM 15173 C2* A B 706 -16.869 -45.565 -19.360 1.00 0.00 C ATOM 15174 O2* A B 706 -17.654 -45.525 -20.542 1.00 0.00 O ATOM 15175 C1* A B 706 -15.706 -46.511 -19.634 1.00 0.00 C ATOM 15176 N9 A B 706 -15.149 -47.339 -18.294 1.00 0.00 N ATOM 15177 C8 A B 706 -14.158 -46.969 -17.415 1.00 0.00 C ATOM 15178 N7 A B 706 -13.800 -47.908 -16.592 1.00 0.00 N ATOM 15179 C5 A B 706 -14.610 -48.981 -16.941 1.00 0.00 C ATOM 15180 C6 A B 706 -14.722 -50.288 -16.438 1.00 0.00 C ATOM 15181 N6 A B 706 -13.978 -50.751 -15.423 1.00 0.00 N ATOM 15182 N1 A B 706 -15.628 -51.098 -17.013 1.00 0.00 N ATOM 15183 C2 A B 706 -16.367 -50.631 -18.014 1.00 0.00 C ATOM 15184 N3 A B 706 -16.353 -49.434 -18.567 1.00 0.00 N ATOM 15185 C4 A B 706 -15.436 -48.642 -17.976 1.00 0.00 C ATOM 15186 P G B 707 -18.937 -43.346 -20.532 1.00 0.00 P ATOM 15187 O1P G B 707 -19.527 -42.009 -20.763 1.00 0.00 O ATOM 15188 O2P G B 707 -19.799 -44.321 -19.827 1.00 0.00 O ATOM 15189 O5* G B 707 -18.444 -43.967 -21.923 1.00 0.00 O ATOM 15190 C5* G B 707 -17.892 -43.090 -22.925 1.00 0.00 C ATOM 15191 C4* G B 707 -17.380 -43.899 -24.096 1.00 0.00 C ATOM 15192 O4* G B 707 -16.226 -44.674 -23.669 1.00 0.00 O ATOM 15193 C3* G B 707 -18.342 -44.949 -24.652 1.00 0.00 C ATOM 15194 O3* G B 707 -19.239 -44.390 -25.561 1.00 0.00 O ATOM 15195 C2* G B 707 -17.386 -45.945 -25.304 1.00 0.00 C ATOM 15196 O2* G B 707 -16.903 -45.445 -26.539 1.00 0.00 O ATOM 15197 C1* G B 707 -16.213 -45.930 -24.330 1.00 0.00 C ATOM 15198 N9 G B 707 -16.282 -46.997 -23.293 1.00 0.00 N ATOM 15199 C8 G B 707 -16.594 -46.893 -21.955 1.00 0.00 C ATOM 15200 N7 G B 707 -16.564 -48.035 -21.311 1.00 0.00 N ATOM 15201 C5 G B 707 -16.208 -48.962 -22.289 1.00 0.00 C ATOM 15202 C6 G B 707 -16.016 -50.364 -22.197 1.00 0.00 C ATOM 15203 O6 G B 707 -16.125 -51.093 -21.213 1.00 0.00 O ATOM 15204 N1 G B 707 -15.661 -50.915 -23.436 1.00 0.00 N ATOM 15205 C2 G B 707 -15.509 -50.205 -24.610 1.00 0.00 C ATOM 15206 N2 G B 707 -15.165 -50.916 -25.686 1.00 0.00 N ATOM 15207 N3 G B 707 -15.687 -48.887 -24.698 1.00 0.00 N ATOM 15208 C4 G B 707 -16.034 -48.337 -23.503 1.00 0.00 C ATOM 15209 P G B 708 -20.755 -44.995 -25.641 1.00 0.00 P ATOM 15210 O1P G B 708 -21.641 -44.061 -26.372 1.00 0.00 O ATOM 15211 O2P G B 708 -21.201 -45.378 -24.284 1.00 0.00 O ATOM 15212 O5* G B 708 -20.509 -46.309 -26.523 1.00 0.00 O ATOM 15213 C5* G B 708 -19.982 -46.165 -27.854 1.00 0.00 C ATOM 15214 C4* G B 708 -19.713 -47.531 -28.455 1.00 0.00 C ATOM 15215 O4* G B 708 -18.613 -48.155 -27.732 1.00 0.00 O ATOM 15216 C3* G B 708 -20.851 -48.546 -28.340 1.00 0.00 C ATOM 15217 O3* G B 708 -21.781 -48.392 -29.369 1.00 0.00 O ATOM 15218 C2* G B 708 -20.104 -49.875 -28.414 1.00 0.00 C ATOM 15219 O2* G B 708 -19.718 -50.160 -29.748 1.00 0.00 O ATOM 15220 C1* G B 708 -18.826 -49.555 -27.643 1.00 0.00 C ATOM 15221 N9 G B 708 -18.895 -49.918 -26.199 1.00 0.00 N ATOM 15222 C8 G B 708 -19.033 -49.097 -25.100 1.00 0.00 C ATOM 15223 N7 G B 708 -19.059 -49.739 -23.956 1.00 0.00 N ATOM 15224 C5 G B 708 -18.935 -51.077 -24.324 1.00 0.00 C ATOM 15225 C6 G B 708 -18.899 -52.245 -23.518 1.00 0.00 C ATOM 15226 O6 G B 708 -18.972 -52.343 -22.296 1.00 0.00 O ATOM 15227 N1 G B 708 -18.761 -53.400 -24.300 1.00 0.00 N ATOM 15228 C2 G B 708 -18.669 -53.425 -25.679 1.00 0.00 C ATOM 15229 N2 G B 708 -18.540 -54.632 -26.237 1.00 0.00 N ATOM 15230 N3 G B 708 -18.702 -52.327 -26.432 1.00 0.00 N ATOM 15231 C4 G B 708 -18.835 -51.196 -25.689 1.00 0.00 C ATOM 15232 P U B 709 -23.354 -48.697 -29.056 1.00 0.00 P ATOM 15233 O1P U B 709 -24.205 -48.134 -30.130 1.00 0.00 O ATOM 15234 O2P U B 709 -23.678 -48.257 -27.681 1.00 0.00 O ATOM 15235 O5* U B 709 -23.371 -50.293 -29.134 1.00 0.00 O ATOM 15236 C5* U B 709 -22.995 -50.939 -30.364 1.00 0.00 C ATOM 15237 C4* U B 709 -22.962 -52.442 -30.173 1.00 0.00 C ATOM 15238 O4* U B 709 -21.864 -52.780 -29.277 1.00 0.00 O ATOM 15239 C3* U B 709 -24.189 -53.054 -29.499 1.00 0.00 C ATOM 15240 O3* U B 709 -25.210 -53.299 -30.416 1.00 0.00 O ATOM 15241 C2* U B 709 -23.619 -54.338 -28.899 1.00 0.00 C ATOM 15242 O2* U B 709 -23.431 -55.321 -29.903 1.00 0.00 O ATOM 15243 C1* U B 709 -22.229 -53.881 -28.461 1.00 0.00 C ATOM 15244 N1 U B 709 -22.167 -53.440 -27.039 1.00 0.00 N ATOM 15245 C2 U B 709 -22.206 -54.421 -26.077 1.00 0.00 C ATOM 15246 O2 U B 709 -22.290 -55.607 -26.345 1.00 0.00 O ATOM 15247 N3 U B 709 -22.146 -53.976 -24.774 1.00 0.00 N ATOM 15248 C4 U B 709 -22.049 -52.663 -24.359 1.00 0.00 C ATOM 15249 O4 U B 709 -22.002 -52.386 -23.157 1.00 0.00 O ATOM 15250 C5 U B 709 -22.014 -51.705 -25.438 1.00 0.00 C ATOM 15251 C6 U B 709 -22.072 -52.112 -26.718 1.00 0.00 C ATOM 15252 P U B 710 -26.761 -53.141 -29.926 1.00 0.00 P ATOM 15253 O1P U B 710 -27.662 -53.076 -31.097 1.00 0.00 O ATOM 15254 O2P U B 710 -26.862 -52.016 -28.971 1.00 0.00 O ATOM 15255 O5* U B 710 -26.975 -54.527 -29.157 1.00 0.00 O ATOM 15256 C5* U B 710 -26.828 -55.761 -29.883 1.00 0.00 C ATOM 15257 C4* U B 710 -26.949 -56.940 -28.937 1.00 0.00 C ATOM 15258 O4* U B 710 -25.798 -56.945 -28.045 1.00 0.00 O ATOM 15259 C3* U B 710 -28.148 -56.914 -27.993 1.00 0.00 C ATOM 15260 O3* U B 710 -29.295 -57.420 -28.604 1.00 0.00 O ATOM 15261 C2* U B 710 -27.662 -57.785 -26.836 1.00 0.00 C ATOM 15262 O2* U B 710 -27.714 -59.157 -27.185 1.00 0.00 O ATOM 15263 C1* U B 710 -26.190 -57.399 -26.759 1.00 0.00 C ATOM 15264 N1 U B 710 -25.904 -56.316 -25.780 1.00 0.00 N ATOM 15265 C2 U B 710 -25.946 -56.646 -24.447 1.00 0.00 C ATOM 15266 O2 U B 710 -26.197 -57.770 -24.052 1.00 0.00 O ATOM 15267 N3 U B 710 -25.673 -55.614 -23.570 1.00 0.00 N ATOM 15268 C4 U B 710 -25.375 -54.310 -23.907 1.00 0.00 C ATOM 15269 O4 U B 710 -25.151 -53.471 -23.031 1.00 0.00 O ATOM 15270 C5 U B 710 -25.358 -54.055 -25.328 1.00 0.00 C ATOM 15271 C6 U B 710 -25.617 -55.043 -26.204 1.00 0.00 C ATOM 15272 P G B 711 -30.742 -56.787 -28.204 1.00 0.00 P ATOM 15273 O1P G B 711 -31.768 -57.181 -29.198 1.00 0.00 O ATOM 15274 O2P G B 711 -30.599 -55.330 -27.974 1.00 0.00 O ATOM 15275 O5* G B 711 -31.026 -57.529 -26.814 1.00 0.00 O ATOM 15276 C5* G B 711 -31.112 -58.966 -26.798 1.00 0.00 C ATOM 15277 C4* G B 711 -31.256 -59.459 -25.373 1.00 0.00 C ATOM 15278 O4* G B 711 -30.015 -59.197 -24.655 1.00 0.00 O ATOM 15279 C3* G B 711 -32.323 -58.760 -24.530 1.00 0.00 C ATOM 15280 O3* G B 711 -33.583 -59.314 -24.737 1.00 0.00 O ATOM 15281 C2* G B 711 -31.807 -58.985 -23.110 1.00 0.00 C ATOM 15282 O2* G B 711 -32.060 -60.316 -22.689 1.00 0.00 O ATOM 15283 C1* G B 711 -30.299 -58.862 -23.305 1.00 0.00 C ATOM 15284 N9 G B 711 -29.773 -57.493 -23.053 1.00 0.00 N ATOM 15285 C8 G B 711 -29.344 -56.542 -23.954 1.00 0.00 C ATOM 15286 N7 G B 711 -28.937 -55.426 -23.399 1.00 0.00 N ATOM 15287 C5 G B 711 -29.106 -55.653 -22.033 1.00 0.00 C ATOM 15288 C6 G B 711 -28.840 -54.807 -20.927 1.00 0.00 C ATOM 15289 O6 G B 711 -28.386 -53.664 -20.921 1.00 0.00 O ATOM 15290 N1 G B 711 -29.157 -55.432 -19.715 1.00 0.00 N ATOM 15291 C2 G B 711 -29.669 -56.709 -19.588 1.00 0.00 C ATOM 15292 N2 G B 711 -29.909 -57.127 -18.343 1.00 0.00 N ATOM 15293 N3 G B 711 -29.922 -57.502 -20.629 1.00 0.00 N ATOM 15294 C4 G B 711 -29.617 -56.910 -21.811 1.00 0.00 C ATOM 15295 P G B 712 -34.893 -58.339 -24.667 1.00 0.00 P ATOM 15296 O1P G B 712 -36.066 -59.013 -25.266 1.00 0.00 O ATOM 15297 O2P G B 712 -34.549 -57.017 -25.236 1.00 0.00 O ATOM 15298 O5* G B 712 -35.088 -58.215 -23.084 1.00 0.00 O ATOM 15299 C5* G B 712 -35.342 -59.405 -22.317 1.00 0.00 C ATOM 15300 C4* G B 712 -35.371 -59.071 -20.839 1.00 0.00 C ATOM 15301 O4* G B 712 -34.028 -58.686 -20.417 1.00 0.00 O ATOM 15302 C3* G B 712 -36.236 -57.879 -20.440 1.00 0.00 C ATOM 15303 O3* G B 712 -37.570 -58.246 -20.278 1.00 0.00 O ATOM 15304 C2* G B 712 -35.583 -57.428 -19.136 1.00 0.00 C ATOM 15305 O2* G B 712 -35.939 -58.296 -18.071 1.00 0.00 O ATOM 15306 C1* G B 712 -34.108 -57.669 -19.429 1.00 0.00 C ATOM 15307 N9 G B 712 -33.398 -56.466 -19.950 1.00 0.00 N ATOM 15308 C8 G B 712 -32.972 -56.195 -21.232 1.00 0.00 C ATOM 15309 N7 G B 712 -32.373 -55.033 -21.360 1.00 0.00 N ATOM 15310 C5 G B 712 -32.403 -54.502 -20.071 1.00 0.00 C ATOM 15311 C6 G B 712 -31.906 -53.267 -19.581 1.00 0.00 C ATOM 15312 O6 G B 712 -31.327 -52.374 -20.192 1.00 0.00 O ATOM 15313 N1 G B 712 -32.149 -53.127 -18.208 1.00 0.00 N ATOM 15314 C2 G B 712 -32.789 -54.059 -17.412 1.00 0.00 C ATOM 15315 N2 G B 712 -32.923 -53.737 -16.124 1.00 0.00 N ATOM 15316 N3 G B 712 -33.256 -55.216 -17.872 1.00 0.00 N ATOM 15317 C4 G B 712 -33.026 -55.368 -19.204 1.00 0.00 C ATOM 15318 P G B 713 -38.699 -57.778 -21.639 1.00 0.00 P ATOM 15319 O1P G B 713 -40.053 -58.346 -21.443 1.00 0.00 O ATOM 15320 O2P G B 713 -38.088 -57.997 -22.967 1.00 0.00 O ATOM 15321 O5* G B 713 -38.616 -56.033 -21.133 1.00 0.00 O ATOM 15322 C5* G B 713 -39.115 -54.751 -20.739 1.00 0.00 C ATOM 15323 C4* G B 713 -38.342 -53.492 -21.404 1.00 0.00 C ATOM 15324 O4* G B 713 -36.902 -53.355 -21.249 1.00 0.00 O ATOM 15325 C3* G B 713 -38.626 -52.904 -22.784 1.00 0.00 C ATOM 15326 O3* G B 713 -39.892 -53.051 -23.607 1.00 0.00 O ATOM 15327 C2* G B 713 -37.620 -51.757 -22.858 1.00 0.00 C ATOM 15328 O2* G B 713 -38.061 -50.652 -22.082 1.00 0.00 O ATOM 15329 C1* G B 713 -36.421 -52.354 -22.139 1.00 0.00 C ATOM 15330 N9 G B 713 -35.246 -53.071 -23.177 1.00 0.00 N ATOM 15331 C8 G B 713 -35.266 -54.301 -23.795 1.00 0.00 C ATOM 15332 N7 G B 713 -34.237 -54.515 -24.581 1.00 0.00 N ATOM 15333 C5 G B 713 -33.486 -53.348 -24.476 1.00 0.00 C ATOM 15334 C6 G B 713 -32.264 -52.991 -25.097 1.00 0.00 C ATOM 15335 O6 G B 713 -31.577 -53.644 -25.882 1.00 0.00 O ATOM 15336 N1 G B 713 -31.848 -51.708 -24.712 1.00 0.00 N ATOM 15337 C2 G B 713 -32.529 -50.881 -23.837 1.00 0.00 C ATOM 15338 N2 G B 713 -31.968 -49.693 -23.599 1.00 0.00 N ATOM 15339 N3 G B 713 -33.678 -51.217 -23.257 1.00 0.00 N ATOM 15340 C4 G B 713 -34.091 -52.461 -23.619 1.00 0.00 C ATOM 15341 P U B 714 -40.006 -54.641 -24.520 1.00 0.00 P ATOM 15342 O1P U B 714 -41.354 -55.233 -24.362 1.00 0.00 O ATOM 15343 O2P U B 714 -38.871 -55.544 -24.225 1.00 0.00 O ATOM 15344 O5* U B 714 -39.782 -53.879 -26.159 1.00 0.00 O ATOM 15345 C5* U B 714 -39.853 -53.951 -27.595 1.00 0.00 C ATOM 15346 C4* U B 714 -40.306 -52.526 -28.244 1.00 0.00 C ATOM 15347 O4* U B 714 -41.537 -51.967 -27.697 1.00 0.00 O ATOM 15348 C3* U B 714 -39.339 -51.341 -28.266 1.00 0.00 C ATOM 15349 O3* U B 714 -38.059 -51.526 -29.084 1.00 0.00 O ATOM 15350 C2* U B 714 -40.268 -50.179 -28.619 1.00 0.00 C ATOM 15351 O2* U B 714 -40.595 -50.197 -29.997 1.00 0.00 O ATOM 15352 C1* U B 714 -41.534 -50.557 -27.856 1.00 0.00 C ATOM 15353 N1 U B 714 -41.674 -49.846 -26.323 1.00 0.00 N ATOM 15354 C2 U B 714 -41.918 -48.495 -26.280 1.00 0.00 C ATOM 15355 O2 U B 714 -42.007 -47.806 -27.280 1.00 0.00 O ATOM 15356 N3 U B 714 -42.051 -47.957 -25.015 1.00 0.00 N ATOM 15357 C4 U B 714 -41.970 -48.640 -23.820 1.00 0.00 C ATOM 15358 O4 U B 714 -42.106 -48.048 -22.746 1.00 0.00 O ATOM 15359 C5 U B 714 -41.708 -50.055 -23.968 1.00 0.00 C ATOM 15360 C6 U B 714 -41.572 -50.603 -25.184 1.00 0.00 C ATOM 15361 P A B 715 -36.535 -51.787 -28.112 1.00 0.00 P ATOM 15362 O1P A B 715 -36.017 -53.165 -28.245 1.00 0.00 O ATOM 15363 O2P A B 715 -36.649 -51.273 -26.727 1.00 0.00 O ATOM 15364 O5* A B 715 -35.646 -50.641 -29.206 1.00 0.00 O ATOM 15365 C5* A B 715 -35.656 -49.982 -30.478 1.00 0.00 C ATOM 15366 C4* A B 715 -36.113 -48.427 -30.399 1.00 0.00 C ATOM 15367 O4* A B 715 -37.508 -48.128 -30.100 1.00 0.00 O ATOM 15368 C3* A B 715 -35.337 -47.378 -29.601 1.00 0.00 C ATOM 15369 O3* A B 715 -33.861 -47.220 -29.961 1.00 0.00 O ATOM 15370 C2* A B 715 -36.248 -46.159 -29.704 1.00 0.00 C ATOM 15371 O2* A B 715 -36.135 -45.554 -30.985 1.00 0.00 O ATOM 15372 C1* A B 715 -37.627 -46.796 -29.632 1.00 0.00 C ATOM 15373 N9 A B 715 -38.303 -46.833 -28.092 1.00 0.00 N ATOM 15374 C8 A B 715 -38.479 -47.916 -27.263 1.00 0.00 C ATOM 15375 N7 A B 715 -39.172 -47.654 -26.196 1.00 0.00 N ATOM 15376 C5 A B 715 -39.486 -46.310 -26.319 1.00 0.00 C ATOM 15377 C6 A B 715 -40.207 -45.424 -25.503 1.00 0.00 C ATOM 15378 N6 A B 715 -40.781 -45.787 -24.349 1.00 0.00 N ATOM 15379 N1 A B 715 -40.327 -44.152 -25.924 1.00 0.00 N ATOM 15380 C2 A B 715 -39.758 -43.798 -27.073 1.00 0.00 C ATOM 15381 N3 A B 715 -39.058 -44.531 -27.916 1.00 0.00 N ATOM 15382 C4 A B 715 -38.958 -45.801 -27.472 1.00 0.00 C ATOM 15383 P A B 716 -32.705 -47.609 -28.602 1.00 0.00 P ATOM 15384 O1P A B 716 -31.482 -48.290 -29.092 1.00 0.00 O ATOM 15385 O2P A B 716 -33.380 -48.245 -27.448 1.00 0.00 O ATOM 15386 O5* A B 716 -32.428 -45.832 -28.353 1.00 0.00 O ATOM 15387 C5* A B 716 -32.772 -44.534 -28.859 1.00 0.00 C ATOM 15388 C4* A B 716 -33.546 -43.614 -27.765 1.00 0.00 C ATOM 15389 O4* A B 716 -34.963 -43.878 -27.542 1.00 0.00 O ATOM 15390 C3* A B 716 -32.983 -43.406 -26.359 1.00 0.00 C ATOM 15391 O3* A B 716 -31.575 -42.818 -26.271 1.00 0.00 O ATOM 15392 C2* A B 716 -34.135 -42.688 -25.659 1.00 0.00 C ATOM 15393 O2* A B 716 -34.195 -41.328 -26.055 1.00 0.00 O ATOM 15394 C1* A B 716 -35.347 -43.381 -26.272 1.00 0.00 C ATOM 15395 N9 A B 716 -35.956 -44.657 -25.368 1.00 0.00 N ATOM 15396 C8 A B 716 -35.865 -46.011 -25.624 1.00 0.00 C ATOM 15397 N7 A B 716 -36.598 -46.745 -24.851 1.00 0.00 N ATOM 15398 C5 A B 716 -37.222 -45.831 -24.014 1.00 0.00 C ATOM 15399 C6 A B 716 -38.138 -45.979 -22.962 1.00 0.00 C ATOM 15400 N6 A B 716 -38.603 -47.167 -22.551 1.00 0.00 N ATOM 15401 N1 A B 716 -38.561 -44.861 -22.346 1.00 0.00 N ATOM 15402 C2 A B 716 -38.094 -43.682 -22.757 1.00 0.00 C ATOM 15403 N3 A B 716 -37.245 -43.421 -23.722 1.00 0.00 N ATOM 15404 C4 A B 716 -36.836 -44.558 -24.326 1.00 0.00 C ATOM 15405 P C B 717 -30.433 -43.769 -25.207 1.00 0.00 P ATOM 15406 O1P C B 717 -29.055 -43.795 -25.745 1.00 0.00 O ATOM 15407 O2P C B 717 -31.002 -45.077 -24.809 1.00 0.00 O ATOM 15408 O5* C B 717 -30.608 -42.501 -23.920 1.00 0.00 O ATOM 15409 C5* C B 717 -31.191 -41.272 -23.469 1.00 0.00 C ATOM 15410 C4* C B 717 -32.024 -41.444 -22.086 1.00 0.00 C ATOM 15411 O4* C B 717 -33.394 -41.939 -22.179 1.00 0.00 O ATOM 15412 C3* C B 717 -31.449 -42.189 -20.881 1.00 0.00 C ATOM 15413 O3* C B 717 -30.088 -41.769 -20.347 1.00 0.00 O ATOM 15414 C2* C B 717 -32.651 -42.263 -19.945 1.00 0.00 C ATOM 15415 O2* C B 717 -32.881 -41.013 -19.318 1.00 0.00 O ATOM 15416 C1* C B 717 -33.796 -42.480 -20.934 1.00 0.00 C ATOM 15417 N1 C B 717 -34.230 -44.113 -21.173 1.00 0.00 N ATOM 15418 C2 C B 717 -35.005 -44.728 -20.192 1.00 0.00 C ATOM 15419 O2 C B 717 -35.344 -44.069 -19.197 1.00 0.00 O ATOM 15420 N3 C B 717 -35.360 -46.024 -20.365 1.00 0.00 N ATOM 15421 C4 C B 717 -34.978 -46.700 -21.450 1.00 0.00 C ATOM 15422 N4 C B 717 -35.349 -47.965 -21.569 1.00 0.00 N ATOM 15423 C5 C B 717 -34.184 -46.086 -22.472 1.00 0.00 C ATOM 15424 C6 C B 717 -33.836 -44.788 -22.285 1.00 0.00 C ATOM 15425 P A B 718 -29.069 -43.160 -19.751 1.00 0.00 P ATOM 15426 O1P A B 718 -27.622 -42.933 -19.960 1.00 0.00 O ATOM 15427 O2P A B 718 -29.588 -44.468 -20.215 1.00 0.00 O ATOM 15428 O5* A B 718 -29.554 -42.764 -18.050 1.00 0.00 O ATOM 15429 C5* A B 718 -30.173 -42.121 -16.933 1.00 0.00 C ATOM 15430 C4* A B 718 -31.027 -43.160 -16.023 1.00 0.00 C ATOM 15431 O4* A B 718 -32.342 -43.550 -16.519 1.00 0.00 O ATOM 15432 C3* A B 718 -30.420 -44.470 -15.518 1.00 0.00 C ATOM 15433 O3* A B 718 -29.241 -44.204 -14.558 1.00 0.00 O ATOM 15434 C2* A B 718 -31.641 -45.186 -14.943 1.00 0.00 C ATOM 15435 O2* A B 718 -32.001 -44.636 -13.688 1.00 0.00 O ATOM 15436 C1* A B 718 -32.729 -44.782 -15.933 1.00 0.00 C ATOM 15437 N9 A B 718 -33.003 -45.898 -17.173 1.00 0.00 N ATOM 15438 C8 A B 718 -32.260 -46.115 -18.305 1.00 0.00 C ATOM 15439 N7 A B 718 -32.661 -47.127 -19.016 1.00 0.00 N ATOM 15440 C5 A B 718 -33.743 -47.623 -18.306 1.00 0.00 C ATOM 15441 C6 A B 718 -34.612 -48.702 -18.535 1.00 0.00 C ATOM 15442 N6 A B 718 -34.514 -49.514 -19.597 1.00 0.00 N ATOM 15443 N1 A B 718 -35.583 -48.918 -17.631 1.00 0.00 N ATOM 15444 C2 A B 718 -35.679 -48.106 -16.582 1.00 0.00 C ATOM 15445 N3 A B 718 -34.928 -47.070 -16.263 1.00 0.00 N ATOM 15446 C4 A B 718 -33.960 -46.878 -17.181 1.00 0.00 C ATOM 15447 P C B 719 -27.673 -45.089 -14.817 1.00 0.00 P ATOM 15448 O1P C B 719 -26.595 -44.561 -13.953 1.00 0.00 O ATOM 15449 O2P C B 719 -27.306 -45.322 -16.231 1.00 0.00 O ATOM 15450 O5* C B 719 -28.269 -46.431 -14.184 1.00 0.00 O ATOM 15451 C5* C B 719 -28.772 -46.401 -12.836 1.00 0.00 C ATOM 15452 C4* C B 719 -29.399 -47.737 -12.486 1.00 0.00 C ATOM 15453 O4* C B 719 -30.602 -47.916 -13.284 1.00 0.00 O ATOM 15454 C3* C B 719 -28.555 -48.971 -12.810 1.00 0.00 C ATOM 15455 O3* C B 719 -27.644 -49.250 -11.794 1.00 0.00 O ATOM 15456 C2* C B 719 -29.619 -50.056 -12.959 1.00 0.00 C ATOM 15457 O2* C B 719 -30.101 -50.468 -11.690 1.00 0.00 O ATOM 15458 C1* C B 719 -30.752 -49.284 -13.631 1.00 0.00 C ATOM 15459 N1 C B 719 -30.746 -49.385 -15.117 1.00 0.00 N ATOM 15460 C2 C B 719 -31.161 -50.585 -15.688 1.00 0.00 C ATOM 15461 O2 C B 719 -31.513 -51.507 -14.946 1.00 0.00 O ATOM 15462 N3 C B 719 -31.160 -50.697 -17.041 1.00 0.00 N ATOM 15463 C4 C B 719 -30.769 -49.674 -17.812 1.00 0.00 C ATOM 15464 N4 C B 719 -30.790 -49.834 -19.125 1.00 0.00 N ATOM 15465 C5 C B 719 -30.339 -48.431 -17.245 1.00 0.00 C ATOM 15466 C6 C B 719 -30.346 -48.339 -15.890 1.00 0.00 C ATOM 15467 P U B 720 -26.193 -49.886 -12.192 1.00 0.00 P ATOM 15468 O1P U B 720 -25.252 -49.765 -11.056 1.00 0.00 O ATOM 15469 O2P U B 720 -25.735 -49.304 -13.471 1.00 0.00 O ATOM 15470 O5* U B 720 -26.590 -51.423 -12.407 1.00 0.00 O ATOM 15471 C5* U B 720 -27.146 -52.161 -11.303 1.00 0.00 C ATOM 15472 C4* U B 720 -27.559 -53.545 -11.762 1.00 0.00 C ATOM 15473 O4* U B 720 -28.685 -53.421 -12.679 1.00 0.00 O ATOM 15474 C3* U B 720 -26.516 -54.321 -12.566 1.00 0.00 C ATOM 15475 O3* U B 720 -25.615 -54.978 -11.732 1.00 0.00 O ATOM 15476 C2* U B 720 -27.383 -55.282 -13.372 1.00 0.00 C ATOM 15477 O2* U B 720 -27.840 -56.350 -12.562 1.00 0.00 O ATOM 15478 C1* U B 720 -28.595 -54.412 -13.689 1.00 0.00 C ATOM 15479 N1 U B 720 -28.513 -53.721 -15.006 1.00 0.00 N ATOM 15480 C2 U B 720 -28.700 -54.491 -16.128 1.00 0.00 C ATOM 15481 O2 U B 720 -28.930 -55.687 -16.081 1.00 0.00 O ATOM 15482 N3 U B 720 -28.614 -53.814 -17.328 1.00 0.00 N ATOM 15483 C4 U B 720 -28.359 -52.469 -17.498 1.00 0.00 C ATOM 15484 O4 U B 720 -28.307 -51.975 -18.627 1.00 0.00 O ATOM 15485 C5 U B 720 -28.174 -51.746 -16.262 1.00 0.00 C ATOM 15486 C6 U B 720 -28.253 -52.378 -15.078 1.00 0.00 C ATOM 15487 P A B 721 -24.065 -55.139 -12.221 1.00 0.00 P ATOM 15488 O1P A B 721 -23.204 -55.522 -11.081 1.00 0.00 O ATOM 15489 O2P A B 721 -23.653 -53.925 -12.961 1.00 0.00 O ATOM 15490 O5* A B 721 -24.196 -56.370 -13.235 1.00 0.00 O ATOM 15491 C5* A B 721 -24.669 -57.636 -12.740 1.00 0.00 C ATOM 15492 C4* A B 721 -24.834 -58.614 -13.885 1.00 0.00 C ATOM 15493 O4* A B 721 -25.927 -58.163 -14.736 1.00 0.00 O ATOM 15494 C3* A B 721 -23.644 -58.727 -14.839 1.00 0.00 C ATOM 15495 O3* A B 721 -22.684 -59.614 -14.358 1.00 0.00 O ATOM 15496 C2* A B 721 -24.310 -59.220 -16.122 1.00 0.00 C ATOM 15497 O2* A B 721 -24.624 -60.600 -16.029 1.00 0.00 O ATOM 15498 C1* A B 721 -25.635 -58.462 -16.093 1.00 0.00 C ATOM 15499 N9 A B 721 -25.608 -57.181 -16.851 1.00 0.00 N ATOM 15500 C8 A B 721 -25.568 -55.891 -16.373 1.00 0.00 C ATOM 15501 N7 A B 721 -25.555 -54.985 -17.302 1.00 0.00 N ATOM 15502 C5 A B 721 -25.586 -55.714 -18.483 1.00 0.00 C ATOM 15503 C6 A B 721 -25.587 -55.331 -19.833 1.00 0.00 C ATOM 15504 N6 A B 721 -25.558 -54.053 -20.241 1.00 0.00 N ATOM 15505 N1 A B 721 -25.622 -56.310 -20.755 1.00 0.00 N ATOM 15506 C2 A B 721 -25.652 -57.578 -20.346 1.00 0.00 C ATOM 15507 N3 A B 721 -25.654 -58.054 -19.120 1.00 0.00 N ATOM 15508 C4 A B 721 -25.617 -57.053 -18.216 1.00 0.00 C ATOM 15509 P A B 722 -21.111 -59.309 -14.668 1.00 0.00 P ATOM 15510 O1P A B 722 -20.248 -60.129 -13.787 1.00 0.00 O ATOM 15511 O2P A B 722 -20.873 -57.851 -14.629 1.00 0.00 O ATOM 15512 O5* A B 722 -20.997 -59.837 -16.177 1.00 0.00 O ATOM 15513 C5* A B 722 -21.281 -61.220 -16.454 1.00 0.00 C ATOM 15514 C4* A B 722 -21.236 -61.469 -17.950 1.00 0.00 C ATOM 15515 O4* A B 722 -22.349 -60.770 -18.578 1.00 0.00 O ATOM 15516 C3* A B 722 -20.005 -60.924 -18.676 1.00 0.00 C ATOM 15517 O3* A B 722 -18.933 -61.815 -18.603 1.00 0.00 O ATOM 15518 C2* A B 722 -20.527 -60.751 -20.101 1.00 0.00 C ATOM 15519 O2* A B 722 -20.614 -62.001 -20.762 1.00 0.00 O ATOM 15520 C1* A B 722 -21.956 -60.282 -19.850 1.00 0.00 C ATOM 15521 N9 A B 722 -22.107 -58.801 -19.839 1.00 0.00 N ATOM 15522 C8 A B 722 -22.297 -57.955 -18.770 1.00 0.00 C ATOM 15523 N7 A B 722 -22.391 -56.702 -19.096 1.00 0.00 N ATOM 15524 C5 A B 722 -22.255 -56.708 -20.478 1.00 0.00 C ATOM 15525 C6 A B 722 -22.264 -55.678 -21.435 1.00 0.00 C ATOM 15526 N6 A B 722 -22.424 -54.383 -21.126 1.00 0.00 N ATOM 15527 N1 A B 722 -22.101 -56.027 -22.723 1.00 0.00 N ATOM 15528 C2 A B 722 -21.942 -57.316 -23.022 1.00 0.00 C ATOM 15529 N3 A B 722 -21.915 -58.358 -22.222 1.00 0.00 N ATOM 15530 C4 A B 722 -22.080 -57.981 -20.938 1.00 0.00 C ATOM 15531 P C B 723 -17.419 -61.210 -18.526 1.00 0.00 P ATOM 15532 O1P C B 723 -16.472 -62.262 -18.088 1.00 0.00 O ATOM 15533 O2P C B 723 -17.422 -59.971 -17.721 1.00 0.00 O ATOM 15534 O5* C B 723 -17.158 -60.857 -20.064 1.00 0.00 O ATOM 15535 C5* C B 723 -17.203 -61.914 -21.041 1.00 0.00 C ATOM 15536 C4* C B 723 -17.054 -61.337 -22.435 1.00 0.00 C ATOM 15537 O4* C B 723 -18.238 -60.547 -22.748 1.00 0.00 O ATOM 15538 C3* C B 723 -15.899 -60.352 -22.631 1.00 0.00 C ATOM 15539 O3* C B 723 -14.702 -61.017 -22.892 1.00 0.00 O ATOM 15540 C2* C B 723 -16.383 -59.523 -23.819 1.00 0.00 C ATOM 15541 O2* C B 723 -16.238 -60.245 -25.029 1.00 0.00 O ATOM 15542 C1* C B 723 -17.877 -59.426 -23.537 1.00 0.00 C ATOM 15543 N1 C B 723 -18.267 -58.196 -22.790 1.00 0.00 N ATOM 15544 C2 C B 723 -18.270 -56.989 -23.484 1.00 0.00 C ATOM 15545 O2 C B 723 -17.955 -56.990 -24.679 1.00 0.00 O ATOM 15546 N3 C B 723 -18.623 -55.857 -22.821 1.00 0.00 N ATOM 15547 C4 C B 723 -18.961 -55.902 -21.529 1.00 0.00 C ATOM 15548 N4 C B 723 -19.297 -54.769 -20.927 1.00 0.00 N ATOM 15549 C5 C B 723 -18.963 -57.132 -20.796 1.00 0.00 C ATOM 15550 C6 C B 723 -18.608 -58.251 -21.474 1.00 0.00 C ATOM 15551 P U B 724 -13.309 -60.370 -22.336 1.00 0.00 P ATOM 15552 O1P U B 724 -12.224 -61.376 -22.386 1.00 0.00 O ATOM 15553 O2P U B 724 -13.548 -59.744 -21.018 1.00 0.00 O ATOM 15554 O5* U B 724 -13.047 -59.237 -23.436 1.00 0.00 O ATOM 15555 C5* U B 724 -12.876 -59.624 -24.811 1.00 0.00 C ATOM 15556 C4* U B 724 -12.766 -58.393 -25.687 1.00 0.00 C ATOM 15557 O4* U B 724 -14.050 -57.705 -25.694 1.00 0.00 O ATOM 15558 C3* U B 724 -11.777 -57.324 -25.213 1.00 0.00 C ATOM 15559 O3* U B 724 -10.481 -57.608 -25.631 1.00 0.00 O ATOM 15560 C2* U B 724 -12.340 -56.059 -25.859 1.00 0.00 C ATOM 15561 O2* U B 724 -12.030 -56.022 -27.243 1.00 0.00 O ATOM 15562 C1* U B 724 -13.842 -56.300 -25.750 1.00 0.00 C ATOM 15563 N1 U B 724 -14.457 -55.696 -24.534 1.00 0.00 N ATOM 15564 C2 U B 724 -14.619 -54.335 -24.528 1.00 0.00 C ATOM 15565 O2 U B 724 -14.284 -53.619 -25.458 1.00 0.00 O ATOM 15566 N3 U B 724 -15.192 -53.811 -23.385 1.00 0.00 N ATOM 15567 C4 U B 724 -15.608 -54.523 -22.276 1.00 0.00 C ATOM 15568 O4 U B 724 -16.109 -53.940 -21.311 1.00 0.00 O ATOM 15569 C5 U B 724 -15.395 -55.946 -22.379 1.00 0.00 C ATOM 15570 C6 U B 724 -14.839 -56.481 -23.478 1.00 0.00 C ATOM 15571 P G B 725 -9.233 -56.882 -24.488 1.00 0.00 P ATOM 15572 O1P G B 725 -9.602 -55.510 -24.091 1.00 0.00 O ATOM 15573 O2P G B 725 -7.849 -57.052 -24.995 1.00 0.00 O ATOM 15574 O5* G B 725 -9.625 -58.085 -23.177 1.00 0.00 O ATOM 15575 C5* G B 725 -9.788 -58.483 -21.804 1.00 0.00 C ATOM 15576 C4* G B 725 -10.797 -57.514 -20.999 1.00 0.00 C ATOM 15577 O4* G B 725 -12.135 -57.954 -20.623 1.00 0.00 O ATOM 15578 C3* G B 725 -10.426 -56.504 -19.905 1.00 0.00 C ATOM 15579 O3* G B 725 -9.073 -56.354 -19.235 1.00 0.00 O ATOM 15580 C2* G B 725 -11.765 -55.832 -19.622 1.00 0.00 C ATOM 15581 O2* G B 725 -12.090 -54.904 -20.644 1.00 0.00 O ATOM 15582 C1* G B 725 -12.735 -57.001 -19.762 1.00 0.00 C ATOM 15583 N9 G B 725 -13.143 -57.799 -18.252 1.00 0.00 N ATOM 15584 C8 G B 725 -14.308 -57.727 -17.514 1.00 0.00 C ATOM 15585 N7 G B 725 -14.301 -58.469 -16.436 1.00 0.00 N ATOM 15586 C5 G B 725 -13.047 -59.080 -16.460 1.00 0.00 C ATOM 15587 C6 G B 725 -12.461 -59.997 -15.557 1.00 0.00 C ATOM 15588 O6 G B 725 -12.931 -60.469 -14.520 1.00 0.00 O ATOM 15589 N1 G B 725 -11.173 -60.367 -15.961 1.00 0.00 N ATOM 15590 C2 G B 725 -10.535 -59.909 -17.096 1.00 0.00 C ATOM 15591 N2 G B 725 -9.303 -60.381 -17.309 1.00 0.00 N ATOM 15592 N3 G B 725 -11.085 -59.047 -17.949 1.00 0.00 N ATOM 15593 C4 G B 725 -12.334 -58.679 -17.568 1.00 0.00 C ATOM 15594 P G B 726 -9.085 -55.625 -17.558 1.00 0.00 P ATOM 15595 O1P G B 726 -10.436 -55.251 -17.087 1.00 0.00 O ATOM 15596 O2P G B 726 -8.055 -54.570 -17.476 1.00 0.00 O ATOM 15597 O5* G B 726 -8.602 -57.187 -16.746 1.00 0.00 O ATOM 15598 C5* G B 726 -8.535 -57.733 -15.406 1.00 0.00 C ATOM 15599 C4* G B 726 -7.008 -57.692 -14.826 1.00 0.00 C ATOM 15600 O4* G B 726 -6.268 -58.943 -14.889 1.00 0.00 O ATOM 15601 C3* G B 726 -6.063 -56.670 -15.459 1.00 0.00 C ATOM 15602 O3* G B 726 -6.597 -55.248 -15.218 1.00 0.00 O ATOM 15603 C2* G B 726 -4.701 -57.161 -14.976 1.00 0.00 C ATOM 15604 O2* G B 726 -4.492 -56.816 -13.614 1.00 0.00 O ATOM 15605 C1* G B 726 -4.885 -58.676 -15.020 1.00 0.00 C ATOM 15606 N9 G B 726 -4.323 -59.427 -16.468 1.00 0.00 N ATOM 15607 C8 G B 726 -4.725 -60.609 -17.046 1.00 0.00 C ATOM 15608 N7 G B 726 -4.013 -60.963 -18.091 1.00 0.00 N ATOM 15609 C5 G B 726 -3.076 -59.939 -18.213 1.00 0.00 C ATOM 15610 C6 G B 726 -2.036 -59.765 -19.160 1.00 0.00 C ATOM 15611 O6 G B 726 -1.715 -60.490 -20.102 1.00 0.00 O ATOM 15612 N1 G B 726 -1.318 -58.585 -18.920 1.00 0.00 N ATOM 15613 C2 G B 726 -1.572 -57.691 -17.901 1.00 0.00 C ATOM 15614 N2 G B 726 -0.774 -56.623 -17.838 1.00 0.00 N ATOM 15615 N3 G B 726 -2.550 -57.854 -17.010 1.00 0.00 N ATOM 15616 C4 G B 726 -3.257 -59.000 -17.229 1.00 0.00 C ATOM 15617 P A B 727 -5.559 -53.878 -14.630 1.00 0.00 P ATOM 15618 O1P A B 727 -4.130 -54.055 -14.980 1.00 0.00 O ATOM 15619 O2P A B 727 -5.833 -53.487 -13.229 1.00 0.00 O ATOM 15620 O5* A B 727 -6.461 -52.796 -15.774 1.00 0.00 O ATOM 15621 C5* A B 727 -7.634 -52.066 -16.137 1.00 0.00 C ATOM 15622 C4* A B 727 -8.875 -52.218 -15.118 1.00 0.00 C ATOM 15623 O4* A B 727 -9.667 -53.425 -14.910 1.00 0.00 O ATOM 15624 C3* A B 727 -9.425 -51.236 -14.081 1.00 0.00 C ATOM 15625 O3* A B 727 -9.034 -49.763 -14.260 1.00 0.00 O ATOM 15626 C2* A B 727 -10.914 -51.586 -14.066 1.00 0.00 C ATOM 15627 O2* A B 727 -11.567 -51.059 -15.206 1.00 0.00 O ATOM 15628 C1* A B 727 -10.873 -53.101 -14.241 1.00 0.00 C ATOM 15629 N9 A B 727 -12.139 -53.731 -15.110 1.00 0.00 N ATOM 15630 C8 A B 727 -13.011 -54.733 -14.747 1.00 0.00 C ATOM 15631 N7 A B 727 -13.821 -55.091 -15.698 1.00 0.00 N ATOM 15632 C5 A B 727 -13.471 -54.273 -16.766 1.00 0.00 C ATOM 15633 C6 A B 727 -13.964 -54.163 -18.072 1.00 0.00 C ATOM 15634 N6 A B 727 -14.967 -54.918 -18.554 1.00 0.00 N ATOM 15635 N1 A B 727 -13.388 -53.250 -18.876 1.00 0.00 N ATOM 15636 C2 A B 727 -12.395 -52.503 -18.391 1.00 0.00 C ATOM 15637 N3 A B 727 -11.852 -52.514 -17.193 1.00 0.00 N ATOM 15638 C4 A B 727 -12.446 -53.444 -16.411 1.00 0.00 C ATOM 15639 P G B 728 -10.051 -48.499 -13.403 1.00 0.00 P ATOM 15640 O1P G B 728 -11.438 -48.969 -13.176 1.00 0.00 O ATOM 15641 O2P G B 728 -9.918 -47.174 -14.045 1.00 0.00 O ATOM 15642 O5* G B 728 -8.939 -48.425 -11.957 1.00 0.00 O ATOM 15643 C5* G B 728 -7.907 -47.588 -11.369 1.00 0.00 C ATOM 15644 C4* G B 728 -7.141 -48.453 -10.243 1.00 0.00 C ATOM 15645 O4* G B 728 -7.053 -49.872 -10.566 1.00 0.00 O ATOM 15646 C3* G B 728 -5.846 -48.168 -9.479 1.00 0.00 C ATOM 15647 O3* G B 728 -4.985 -46.872 -9.345 1.00 0.00 O ATOM 15648 C2* G B 728 -5.654 -49.460 -8.685 1.00 0.00 C ATOM 15649 O2* G B 728 -6.538 -49.508 -7.578 1.00 0.00 O ATOM 15650 C1* G B 728 -6.136 -50.507 -9.686 1.00 0.00 C ATOM 15651 N9 G B 728 -6.910 -51.856 -8.986 1.00 0.00 N ATOM 15652 C8 G B 728 -6.576 -53.191 -9.069 1.00 0.00 C ATOM 15653 N7 G B 728 -7.436 -53.994 -8.491 1.00 0.00 N ATOM 15654 C5 G B 728 -8.413 -53.130 -7.990 1.00 0.00 C ATOM 15655 C6 G B 728 -9.598 -53.415 -7.266 1.00 0.00 C ATOM 15656 O6 G B 728 -10.041 -54.505 -6.915 1.00 0.00 O ATOM 15657 N1 G B 728 -10.296 -52.242 -6.954 1.00 0.00 N ATOM 15658 C2 G B 728 -9.905 -50.963 -7.293 1.00 0.00 C ATOM 15659 N2 G B 728 -10.710 -49.976 -6.900 1.00 0.00 N ATOM 15660 N3 G B 728 -8.789 -50.699 -7.972 1.00 0.00 N ATOM 15661 C4 G B 728 -8.099 -51.825 -8.287 1.00 0.00 C ATOM 15662 P G B 729 -3.159 -46.683 -9.734 1.00 0.00 P ATOM 15663 O1P G B 729 -2.406 -46.140 -8.580 1.00 0.00 O ATOM 15664 O2P G B 729 -3.017 -45.936 -11.003 1.00 0.00 O ATOM 15665 O5* G B 729 -2.771 -48.217 -9.959 1.00 0.00 O ATOM 15666 C5* G B 729 -3.431 -49.227 -9.174 1.00 0.00 C ATOM 15667 C4* G B 729 -3.003 -50.607 -9.637 1.00 0.00 C ATOM 15668 O4* G B 729 -3.527 -50.836 -10.978 1.00 0.00 O ATOM 15669 C3* G B 729 -1.499 -50.820 -9.789 1.00 0.00 C ATOM 15670 O3* G B 729 -0.904 -51.158 -8.575 1.00 0.00 O ATOM 15671 C2* G B 729 -1.437 -51.955 -10.811 1.00 0.00 C ATOM 15672 O2* G B 729 -1.755 -53.196 -10.203 1.00 0.00 O ATOM 15673 C1* G B 729 -2.599 -51.601 -11.733 1.00 0.00 C ATOM 15674 N9 G B 729 -2.197 -50.795 -12.919 1.00 0.00 N ATOM 15675 C8 G B 729 -2.397 -49.455 -13.172 1.00 0.00 C ATOM 15676 N7 G B 729 -1.914 -49.052 -14.324 1.00 0.00 N ATOM 15677 C5 G B 729 -1.358 -50.207 -14.871 1.00 0.00 C ATOM 15678 C6 G B 729 -0.686 -50.399 -16.106 1.00 0.00 C ATOM 15679 O6 G B 729 -0.441 -49.574 -16.987 1.00 0.00 O ATOM 15680 N1 G B 729 -0.277 -51.731 -16.266 1.00 0.00 N ATOM 15681 C2 G B 729 -0.490 -52.742 -15.352 1.00 0.00 C ATOM 15682 N2 G B 729 -0.024 -53.948 -15.691 1.00 0.00 N ATOM 15683 N3 G B 729 -1.120 -52.560 -14.193 1.00 0.00 N ATOM 15684 C4 G B 729 -1.524 -51.275 -14.021 1.00 0.00 C ATOM 15685 P A B 730 0.617 -50.648 -8.271 1.00 0.00 P ATOM 15686 O1P A B 730 0.925 -50.780 -6.831 1.00 0.00 O ATOM 15687 O2P A B 730 0.804 -49.299 -8.850 1.00 0.00 O ATOM 15688 O5* A B 730 1.464 -51.718 -9.108 1.00 0.00 O ATOM 15689 C5* A B 730 1.354 -53.113 -8.769 1.00 0.00 C ATOM 15690 C4* A B 730 2.137 -53.950 -9.761 1.00 0.00 C ATOM 15691 O4* A B 730 1.484 -53.873 -11.062 1.00 0.00 O ATOM 15692 C3* A B 730 3.568 -53.488 -10.042 1.00 0.00 C ATOM 15693 O3* A B 730 4.458 -53.973 -9.087 1.00 0.00 O ATOM 15694 C2* A B 730 3.823 -54.061 -11.433 1.00 0.00 C ATOM 15695 O2* A B 730 4.075 -55.456 -11.363 1.00 0.00 O ATOM 15696 C1* A B 730 2.458 -53.890 -12.092 1.00 0.00 C ATOM 15697 N9 A B 730 2.323 -52.628 -12.873 1.00 0.00 N ATOM 15698 C8 A B 730 1.628 -51.483 -12.556 1.00 0.00 C ATOM 15699 N7 A B 730 1.710 -50.552 -13.454 1.00 0.00 N ATOM 15700 C5 A B 730 2.515 -51.106 -14.439 1.00 0.00 C ATOM 15701 C6 A B 730 2.987 -50.612 -15.667 1.00 0.00 C ATOM 15702 N6 A B 730 2.693 -49.390 -16.134 1.00 0.00 N ATOM 15703 N1 A B 730 3.767 -51.425 -16.404 1.00 0.00 N ATOM 15704 C2 A B 730 4.053 -52.637 -15.933 1.00 0.00 C ATOM 15705 N3 A B 730 3.678 -53.202 -14.807 1.00 0.00 N ATOM 15706 C4 A B 730 2.895 -52.371 -14.090 1.00 0.00 C ATOM 15707 P C B 731 5.734 -53.047 -8.663 1.00 0.00 P ATOM 15708 O1P C B 731 6.337 -53.551 -7.407 1.00 0.00 O ATOM 15709 O2P C B 731 5.332 -51.622 -8.658 1.00 0.00 O ATOM 15710 O5* C B 731 6.727 -53.325 -9.888 1.00 0.00 O ATOM 15711 C5* C B 731 7.174 -54.671 -10.134 1.00 0.00 C ATOM 15712 C4* C B 731 7.997 -54.723 -11.404 1.00 0.00 C ATOM 15713 O4* C B 731 7.125 -54.453 -12.539 1.00 0.00 O ATOM 15714 C3* C B 731 9.098 -53.667 -11.530 1.00 0.00 C ATOM 15715 O3* C B 731 10.264 -54.068 -10.882 1.00 0.00 O ATOM 15716 C2* C B 731 9.268 -53.561 -13.043 1.00 0.00 C ATOM 15717 O2* C B 731 9.996 -54.668 -13.544 1.00 0.00 O ATOM 15718 C1* C B 731 7.830 -53.718 -13.526 1.00 0.00 C ATOM 15719 N1 C B 731 7.124 -52.422 -13.729 1.00 0.00 N ATOM 15720 C2 C B 731 7.465 -51.663 -14.844 1.00 0.00 C ATOM 15721 O2 C B 731 8.337 -52.091 -15.614 1.00 0.00 O ATOM 15722 N3 C B 731 6.834 -50.479 -15.049 1.00 0.00 N ATOM 15723 C4 C B 731 5.896 -50.050 -14.193 1.00 0.00 C ATOM 15724 N4 C B 731 5.309 -48.890 -14.434 1.00 0.00 N ATOM 15725 C5 C B 731 5.530 -50.816 -13.041 1.00 0.00 C ATOM 15726 C6 C B 731 6.175 -51.996 -12.854 1.00 0.00 C ATOM 15727 P C B 732 11.197 -52.933 -10.170 1.00 0.00 P ATOM 15728 O1P C B 732 12.162 -53.568 -9.244 1.00 0.00 O ATOM 15729 O2P C B 732 10.333 -51.886 -9.581 1.00 0.00 O ATOM 15730 O5* C B 732 11.975 -52.345 -11.441 1.00 0.00 O ATOM 15731 C5* C B 732 12.804 -53.224 -12.220 1.00 0.00 C ATOM 15732 C4* C B 732 13.337 -52.491 -13.435 1.00 0.00 C ATOM 15733 O4* C B 732 12.229 -52.202 -14.335 1.00 0.00 O ATOM 15734 C3* C B 732 13.962 -51.118 -13.166 1.00 0.00 C ATOM 15735 O3* C B 732 15.294 -51.229 -12.781 1.00 0.00 O ATOM 15736 C2* C B 732 13.795 -50.423 -14.517 1.00 0.00 C ATOM 15737 O2* C B 732 14.751 -50.897 -15.449 1.00 0.00 O ATOM 15738 C1* C B 732 12.436 -50.949 -14.970 1.00 0.00 C ATOM 15739 N1 C B 732 11.299 -50.055 -14.610 1.00 0.00 N ATOM 15740 C2 C B 732 11.140 -48.883 -15.340 1.00 0.00 C ATOM 15741 O2 C B 732 11.943 -48.631 -16.247 1.00 0.00 O ATOM 15742 N3 C B 732 10.112 -48.054 -15.030 1.00 0.00 N ATOM 15743 C4 C B 732 9.263 -48.363 -14.040 1.00 0.00 C ATOM 15744 N4 C B 732 8.274 -47.524 -13.774 1.00 0.00 N ATOM 15745 C5 C B 732 9.407 -49.567 -13.276 1.00 0.00 C ATOM 15746 C6 C B 732 10.445 -50.381 -13.603 1.00 0.00 C ATOM 15747 P G B 733 15.769 -49.656 -11.929 1.00 0.00 P ATOM 15748 O1P G B 733 15.805 -48.523 -12.887 1.00 0.00 O ATOM 15749 O2P G B 733 16.986 -49.846 -11.112 1.00 0.00 O ATOM 15750 O5* G B 733 14.253 -49.564 -10.898 1.00 0.00 O ATOM 15751 C5* G B 733 13.018 -49.336 -10.155 1.00 0.00 C ATOM 15752 C4* G B 733 12.735 -47.795 -9.671 1.00 0.00 C ATOM 15753 O4* G B 733 13.551 -46.799 -10.354 1.00 0.00 O ATOM 15754 C3* G B 733 11.359 -47.134 -9.578 1.00 0.00 C ATOM 15755 O3* G B 733 10.168 -47.808 -8.825 1.00 0.00 O ATOM 15756 C2* G B 733 11.720 -45.669 -9.355 1.00 0.00 C ATOM 15757 O2* G B 733 12.136 -45.451 -8.014 1.00 0.00 O ATOM 15758 C1* G B 733 12.955 -45.514 -10.231 1.00 0.00 C ATOM 15759 N9 G B 733 12.641 -44.907 -11.816 1.00 0.00 N ATOM 15760 C8 G B 733 13.238 -45.245 -13.012 1.00 0.00 C ATOM 15761 N7 G B 733 12.815 -44.540 -14.034 1.00 0.00 N ATOM 15762 C5 G B 733 11.870 -43.681 -13.476 1.00 0.00 C ATOM 15763 C6 G B 733 11.071 -42.683 -14.092 1.00 0.00 C ATOM 15764 O6 G B 733 11.032 -42.343 -15.274 1.00 0.00 O ATOM 15765 N1 G B 733 10.249 -42.039 -13.155 1.00 0.00 N ATOM 15766 C2 G B 733 10.202 -42.327 -11.807 1.00 0.00 C ATOM 15767 N2 G B 733 9.348 -41.601 -11.078 1.00 0.00 N ATOM 15768 N3 G B 733 10.951 -43.265 -11.232 1.00 0.00 N ATOM 15769 C4 G B 733 11.758 -43.891 -12.125 1.00 0.00 C ATOM 15770 P A B 734 9.693 -47.376 -7.087 1.00 0.00 P ATOM 15771 O1P A B 734 9.796 -45.916 -6.848 1.00 0.00 O ATOM 15772 O2P A B 734 10.421 -48.238 -6.128 1.00 0.00 O ATOM 15773 O5* A B 734 7.911 -47.873 -7.152 1.00 0.00 O ATOM 15774 C5* A B 734 6.558 -47.757 -6.559 1.00 0.00 C ATOM 15775 C4* A B 734 6.199 -46.202 -6.262 1.00 0.00 C ATOM 15776 O4* A B 734 6.913 -45.272 -7.125 1.00 0.00 O ATOM 15777 C3* A B 734 5.034 -45.376 -5.707 1.00 0.00 C ATOM 15778 O3* A B 734 4.347 -45.641 -4.283 1.00 0.00 O ATOM 15779 C2* A B 734 5.669 -43.999 -5.543 1.00 0.00 C ATOM 15780 O2* A B 734 6.502 -43.958 -4.399 1.00 0.00 O ATOM 15781 C1* A B 734 6.589 -43.941 -6.760 1.00 0.00 C ATOM 15782 N9 A B 734 5.928 -43.168 -8.104 1.00 0.00 N ATOM 15783 C8 A B 734 5.745 -43.669 -9.378 1.00 0.00 C ATOM 15784 N7 A B 734 5.029 -42.910 -10.148 1.00 0.00 N ATOM 15785 C5 A B 734 4.701 -41.827 -9.340 1.00 0.00 C ATOM 15786 C6 A B 734 3.945 -40.670 -9.576 1.00 0.00 C ATOM 15787 N6 A B 734 3.358 -40.394 -10.748 1.00 0.00 N ATOM 15788 N1 A B 734 3.819 -39.798 -8.558 1.00 0.00 N ATOM 15789 C2 A B 734 4.409 -40.078 -7.397 1.00 0.00 C ATOM 15790 N3 A B 734 5.129 -41.123 -7.062 1.00 0.00 N ATOM 15791 C4 A B 734 5.242 -41.978 -8.099 1.00 0.00 C ATOM 15792 P A B 735 2.502 -45.423 -3.963 1.00 0.00 P ATOM 15793 O1P A B 735 2.021 -46.714 -3.428 1.00 0.00 O ATOM 15794 O2P A B 735 1.833 -44.953 -5.201 1.00 0.00 O ATOM 15795 O5* A B 735 2.208 -44.177 -2.577 1.00 0.00 O ATOM 15796 C5* A B 735 1.240 -43.951 -1.419 1.00 0.00 C ATOM 15797 C4* A B 735 1.138 -42.453 -0.695 1.00 0.00 C ATOM 15798 O4* A B 735 1.238 -41.447 -1.744 1.00 0.00 O ATOM 15799 C3* A B 735 0.192 -41.825 0.327 1.00 0.00 C ATOM 15800 O3* A B 735 0.426 -42.413 1.861 1.00 0.00 O ATOM 15801 C2* A B 735 0.570 -40.350 0.252 1.00 0.00 C ATOM 15802 O2* A B 735 1.787 -40.107 0.938 1.00 0.00 O ATOM 15803 C1* A B 735 0.857 -40.177 -1.235 1.00 0.00 C ATOM 15804 N9 A B 735 -0.443 -39.611 -2.141 1.00 0.00 N ATOM 15805 C8 A B 735 -1.247 -40.315 -3.010 1.00 0.00 C ATOM 15806 N7 A B 735 -2.019 -39.567 -3.741 1.00 0.00 N ATOM 15807 C5 A B 735 -1.712 -38.275 -3.339 1.00 0.00 C ATOM 15808 C6 A B 735 -2.192 -37.019 -3.738 1.00 0.00 C ATOM 15809 N6 A B 735 -3.130 -36.854 -4.680 1.00 0.00 N ATOM 15810 N1 A B 735 -1.672 -35.934 -3.135 1.00 0.00 N ATOM 15811 C2 A B 735 -0.738 -36.105 -2.196 1.00 0.00 C ATOM 15812 N3 A B 735 -0.216 -37.225 -1.744 1.00 0.00 N ATOM 15813 C4 A B 735 -0.755 -38.291 -2.365 1.00 0.00 C ATOM 15814 P C B 736 1.876 -42.769 3.069 1.00 0.00 P ATOM 15815 O1P C B 736 1.435 -43.842 3.991 1.00 0.00 O ATOM 15816 O2P C B 736 2.405 -41.546 3.714 1.00 0.00 O ATOM 15817 O5* C B 736 2.952 -43.348 2.038 1.00 0.00 O ATOM 15818 C5* C B 736 2.912 -44.748 1.700 1.00 0.00 C ATOM 15819 C4* C B 736 3.935 -45.049 0.625 1.00 0.00 C ATOM 15820 O4* C B 736 3.522 -44.401 -0.614 1.00 0.00 O ATOM 15821 C3* C B 736 5.343 -44.508 0.868 1.00 0.00 C ATOM 15822 O3* C B 736 6.089 -45.369 1.672 1.00 0.00 O ATOM 15823 C2* C B 736 5.897 -44.397 -0.549 1.00 0.00 C ATOM 15824 O2* C B 736 6.257 -45.674 -1.050 1.00 0.00 O ATOM 15825 C1* C B 736 4.662 -43.952 -1.328 1.00 0.00 C ATOM 15826 N1 C B 736 4.553 -42.474 -1.481 1.00 0.00 N ATOM 15827 C2 C B 736 5.409 -41.852 -2.388 1.00 0.00 C ATOM 15828 O2 C B 736 6.213 -42.547 -3.021 1.00 0.00 O ATOM 15829 N3 C B 736 5.329 -40.507 -2.546 1.00 0.00 N ATOM 15830 C4 C B 736 4.443 -39.791 -1.838 1.00 0.00 C ATOM 15831 N4 C B 736 4.403 -38.480 -2.029 1.00 0.00 N ATOM 15832 C5 C B 736 3.554 -40.410 -0.903 1.00 0.00 C ATOM 15833 C6 C B 736 3.652 -41.753 -0.761 1.00 0.00 C ATOM 15834 P C B 737 7.180 -44.732 2.705 1.00 0.00 P ATOM 15835 O1P C B 737 7.589 -45.743 3.707 1.00 0.00 O ATOM 15836 O2P C B 737 6.652 -43.461 3.254 1.00 0.00 O ATOM 15837 O5* C B 737 8.396 -44.429 1.711 1.00 0.00 O ATOM 15838 C5* C B 737 9.001 -45.521 0.996 1.00 0.00 C ATOM 15839 C4* C B 737 10.038 -44.996 0.024 1.00 0.00 C ATOM 15840 O4* C B 737 9.361 -44.246 -1.028 1.00 0.00 O ATOM 15841 C3* C B 737 11.042 -43.995 0.603 1.00 0.00 C ATOM 15842 O3* C B 737 12.106 -44.643 1.227 1.00 0.00 O ATOM 15843 C2* C B 737 11.474 -43.221 -0.642 1.00 0.00 C ATOM 15844 O2* C B 737 12.376 -43.985 -1.424 1.00 0.00 O ATOM 15845 C1* C B 737 10.165 -43.145 -1.426 1.00 0.00 C ATOM 15846 N1 C B 737 9.390 -41.898 -1.178 1.00 0.00 N ATOM 15847 C2 C B 737 9.857 -40.719 -1.750 1.00 0.00 C ATOM 15848 O2 C B 737 10.887 -40.754 -2.435 1.00 0.00 O ATOM 15849 N3 C B 737 9.163 -39.571 -1.536 1.00 0.00 N ATOM 15850 C4 C B 737 8.054 -39.573 -0.788 1.00 0.00 C ATOM 15851 N4 C B 737 7.415 -38.426 -0.609 1.00 0.00 N ATOM 15852 C5 C B 737 7.558 -40.775 -0.188 1.00 0.00 C ATOM 15853 C6 C B 737 8.265 -41.912 -0.413 1.00 0.00 C ATOM 15854 P G B 738 12.789 -43.945 2.534 1.00 0.00 P ATOM 15855 O1P G B 738 13.626 -44.928 3.259 1.00 0.00 O ATOM 15856 O2P G B 738 11.742 -43.275 3.339 1.00 0.00 O ATOM 15857 O5* G B 738 13.724 -42.848 1.837 1.00 0.00 O ATOM 15858 C5* G B 738 14.758 -43.283 0.937 1.00 0.00 C ATOM 15859 C4* G B 738 15.431 -42.081 0.304 1.00 0.00 C ATOM 15860 O4* G B 738 14.478 -41.422 -0.582 1.00 0.00 O ATOM 15861 C3* G B 738 15.867 -40.976 1.263 1.00 0.00 C ATOM 15862 O3* G B 738 17.113 -41.250 1.822 1.00 0.00 O ATOM 15863 C2* G B 738 15.884 -39.748 0.353 1.00 0.00 C ATOM 15864 O2* G B 738 17.032 -39.755 -0.476 1.00 0.00 O ATOM 15865 C1* G B 738 14.682 -40.019 -0.548 1.00 0.00 C ATOM 15866 N9 G B 738 13.421 -39.384 -0.069 1.00 0.00 N ATOM 15867 C8 G B 738 12.325 -39.968 0.524 1.00 0.00 C ATOM 15868 N7 G B 738 11.369 -39.119 0.829 1.00 0.00 N ATOM 15869 C5 G B 738 11.871 -37.889 0.408 1.00 0.00 C ATOM 15870 C6 G B 738 11.291 -36.597 0.470 1.00 0.00 C ATOM 15871 O6 G B 738 10.197 -36.264 0.917 1.00 0.00 O ATOM 15872 N1 G B 738 12.145 -35.625 -0.073 1.00 0.00 N ATOM 15873 C2 G B 738 13.395 -35.872 -0.606 1.00 0.00 C ATOM 15874 N2 G B 738 14.054 -34.809 -1.073 1.00 0.00 N ATOM 15875 N3 G B 738 13.938 -37.086 -0.664 1.00 0.00 N ATOM 15876 C4 G B 738 13.123 -38.041 -0.142 1.00 0.00 C ATOM 15877 P A B 739 18.417 -42.511 1.610 1.00 0.00 P ATOM 15878 O1P A B 739 17.926 -43.905 1.528 1.00 0.00 O ATOM 15879 O2P A B 739 19.476 -42.259 2.612 1.00 0.00 O ATOM 15880 O5* A B 739 18.931 -41.801 0.020 1.00 0.00 O ATOM 15881 C5* A B 739 19.598 -40.560 -0.190 1.00 0.00 C ATOM 15882 C4* A B 739 21.184 -40.555 0.228 1.00 0.00 C ATOM 15883 O4* A B 739 22.054 -40.275 -0.906 1.00 0.00 O ATOM 15884 C3* A B 739 21.640 -39.555 1.292 1.00 0.00 C ATOM 15885 O3* A B 739 20.962 -39.997 2.667 1.00 0.00 O ATOM 15886 C2* A B 739 23.146 -39.492 1.052 1.00 0.00 C ATOM 15887 O2* A B 739 23.787 -40.641 1.577 1.00 0.00 O ATOM 15888 C1* A B 739 23.216 -39.598 -0.470 1.00 0.00 C ATOM 15889 N9 A B 739 23.304 -38.092 -1.290 1.00 0.00 N ATOM 15890 C8 A B 739 22.270 -37.311 -1.751 1.00 0.00 C ATOM 15891 N7 A B 739 22.650 -36.317 -2.497 1.00 0.00 N ATOM 15892 C5 A B 739 24.030 -36.440 -2.534 1.00 0.00 C ATOM 15893 C6 A B 739 25.030 -35.681 -3.163 1.00 0.00 C ATOM 15894 N6 A B 739 24.776 -34.600 -3.910 1.00 0.00 N ATOM 15895 N1 A B 739 26.307 -36.077 -2.996 1.00 0.00 N ATOM 15896 C2 A B 739 26.553 -37.153 -2.253 1.00 0.00 C ATOM 15897 N3 A B 739 25.709 -37.933 -1.620 1.00 0.00 N ATOM 15898 C4 A B 739 24.437 -37.519 -1.800 1.00 0.00 C ATOM 15899 P C B 740 20.346 -38.929 4.055 1.00 0.00 P ATOM 15900 O1P C B 740 21.483 -38.952 5.003 1.00 0.00 O ATOM 15901 O2P C B 740 19.005 -39.110 4.652 1.00 0.00 O ATOM 15902 O5* C B 740 20.380 -37.574 3.203 1.00 0.00 O ATOM 15903 C5* C B 740 21.097 -37.547 1.956 1.00 0.00 C ATOM 15904 C4* C B 740 20.891 -36.215 1.265 1.00 0.00 C ATOM 15905 O4* C B 740 19.500 -36.113 0.848 1.00 0.00 O ATOM 15906 C3* C B 740 21.109 -34.974 2.134 1.00 0.00 C ATOM 15907 O3* C B 740 22.455 -34.622 2.191 1.00 0.00 O ATOM 15908 C2* C B 740 20.256 -33.930 1.419 1.00 0.00 C ATOM 15909 O2* C B 740 20.901 -33.469 0.245 1.00 0.00 O ATOM 15910 C1* C B 740 19.060 -34.768 0.969 1.00 0.00 C ATOM 15911 N1 C B 740 17.917 -34.740 1.920 1.00 0.00 N ATOM 15912 C2 C B 740 17.145 -33.583 1.976 1.00 0.00 C ATOM 15913 O2 C B 740 17.440 -32.635 1.241 1.00 0.00 O ATOM 15914 N3 C B 740 16.099 -33.539 2.839 1.00 0.00 N ATOM 15915 C4 C B 740 15.813 -34.590 3.621 1.00 0.00 C ATOM 15916 N4 C B 740 14.780 -34.495 4.445 1.00 0.00 N ATOM 15917 C5 C B 740 16.593 -35.789 3.578 1.00 0.00 C ATOM 15918 C6 C B 740 17.636 -35.813 2.712 1.00 0.00 C ATOM 15919 P U B 741 23.035 -33.964 3.569 1.00 0.00 P ATOM 15920 O1P U B 741 24.516 -34.000 3.570 1.00 0.00 O ATOM 15921 O2P U B 741 22.377 -34.597 4.732 1.00 0.00 O ATOM 15922 O5* U B 741 22.531 -32.452 3.416 1.00 0.00 O ATOM 15923 C5* U B 741 22.984 -31.675 2.292 1.00 0.00 C ATOM 15924 C4* U B 741 22.289 -30.330 2.279 1.00 0.00 C ATOM 15925 O4* U B 741 20.876 -30.530 1.994 1.00 0.00 O ATOM 15926 C3* U B 741 22.292 -29.566 3.606 1.00 0.00 C ATOM 15927 O3* U B 741 23.469 -28.840 3.774 1.00 0.00 O ATOM 15928 C2* U B 741 21.065 -28.669 3.458 1.00 0.00 C ATOM 15929 O2* U B 741 21.336 -27.576 2.599 1.00 0.00 O ATOM 15930 C1* U B 741 20.100 -29.588 2.719 1.00 0.00 C ATOM 15931 N1 U B 741 19.180 -30.342 3.615 1.00 0.00 N ATOM 15932 C2 U B 741 18.152 -29.638 4.192 1.00 0.00 C ATOM 15933 O2 U B 741 17.973 -28.447 3.998 1.00 0.00 O ATOM 15934 N3 U B 741 17.320 -30.369 5.016 1.00 0.00 N ATOM 15935 C4 U B 741 17.429 -31.715 5.308 1.00 0.00 C ATOM 15936 O4 U B 741 16.623 -32.263 6.063 1.00 0.00 O ATOM 15937 C5 U B 741 18.540 -32.368 4.654 1.00 0.00 C ATOM 15938 C6 U B 741 19.364 -31.681 3.846 1.00 0.00 C ATOM 15939 P A B 742 24.071 -28.661 5.281 1.00 0.00 P ATOM 15940 O1P A B 742 25.474 -28.198 5.221 1.00 0.00 O ATOM 15941 O2P A B 742 23.834 -29.898 6.056 1.00 0.00 O ATOM 15942 O5* A B 742 23.137 -27.488 5.838 1.00 0.00 O ATOM 15943 C5* A B 742 23.145 -26.213 5.168 1.00 0.00 C ATOM 15944 C4* A B 742 22.103 -25.298 5.783 1.00 0.00 C ATOM 15945 O4* A B 742 20.777 -25.822 5.480 1.00 0.00 O ATOM 15946 C3* A B 742 22.119 -25.200 7.309 1.00 0.00 C ATOM 15947 O3* A B 742 23.051 -24.264 7.752 1.00 0.00 O ATOM 15948 C2* A B 742 20.682 -24.791 7.620 1.00 0.00 C ATOM 15949 O2* A B 742 20.477 -23.416 7.331 1.00 0.00 O ATOM 15950 C1* A B 742 19.905 -25.582 6.572 1.00 0.00 C ATOM 15951 N9 A B 742 19.410 -26.899 7.064 1.00 0.00 N ATOM 15952 C8 A B 742 19.877 -28.161 6.776 1.00 0.00 C ATOM 15953 N7 A B 742 19.224 -29.113 7.371 1.00 0.00 N ATOM 15954 C5 A B 742 18.254 -28.446 8.104 1.00 0.00 C ATOM 15955 C6 A B 742 17.236 -28.895 8.961 1.00 0.00 C ATOM 15956 N6 A B 742 17.015 -30.190 9.229 1.00 0.00 N ATOM 15957 N1 A B 742 16.449 -27.964 9.530 1.00 0.00 N ATOM 15958 C2 A B 742 16.674 -26.681 9.259 1.00 0.00 C ATOM 15959 N3 A B 742 17.589 -26.146 8.480 1.00 0.00 N ATOM 15960 C4 A B 742 18.363 -27.096 7.925 1.00 0.00 C ATOM 15961 P A B 743 23.830 -24.536 9.158 1.00 0.00 P ATOM 15962 O1P A B 743 25.013 -23.649 9.270 1.00 0.00 O ATOM 15963 O2P A B 743 24.096 -25.985 9.303 1.00 0.00 O ATOM 15964 O5* A B 743 22.714 -24.081 10.214 1.00 0.00 O ATOM 15965 C5* A B 743 22.241 -22.723 10.185 1.00 0.00 C ATOM 15966 C4* A B 743 21.106 -22.549 11.176 1.00 0.00 C ATOM 15967 O4* A B 743 19.952 -23.309 10.710 1.00 0.00 O ATOM 15968 C3* A B 743 21.360 -23.093 12.582 1.00 0.00 C ATOM 15969 O3* A B 743 22.050 -22.173 13.369 1.00 0.00 O ATOM 15970 C2* A B 743 19.943 -23.355 13.086 1.00 0.00 C ATOM 15971 O2* A B 743 19.309 -22.141 13.453 1.00 0.00 O ATOM 15972 C1* A B 743 19.253 -23.852 11.818 1.00 0.00 C ATOM 15973 N9 A B 743 19.250 -25.335 11.681 1.00 0.00 N ATOM 15974 C8 A B 743 19.999 -26.130 10.844 1.00 0.00 C ATOM 15975 N7 A B 743 19.757 -27.399 10.967 1.00 0.00 N ATOM 15976 C5 A B 743 18.783 -27.460 11.951 1.00 0.00 C ATOM 15977 C6 A B 743 18.100 -28.537 12.547 1.00 0.00 C ATOM 15978 N6 A B 743 18.310 -29.817 12.212 1.00 0.00 N ATOM 15979 N1 A B 743 17.193 -28.244 13.496 1.00 0.00 N ATOM 15980 C2 A B 743 16.992 -26.969 13.823 1.00 0.00 C ATOM 15981 N3 A B 743 17.563 -25.889 13.342 1.00 0.00 N ATOM 15982 C4 A B 743 18.468 -26.208 12.393 1.00 0.00 C ATOM 15983 P U B 744 23.107 -22.726 14.481 1.00 0.00 P ATOM 15984 O1P U B 744 23.988 -21.630 14.942 1.00 0.00 O ATOM 15985 O2P U B 744 23.794 -23.923 13.953 1.00 0.00 O ATOM 15986 O5* U B 744 22.111 -23.152 15.658 1.00 0.00 O ATOM 15987 C5* U B 744 21.270 -22.146 16.258 1.00 0.00 C ATOM 15988 C4* U B 744 20.327 -22.788 17.255 1.00 0.00 C ATOM 15989 O4* U B 744 19.376 -23.624 16.532 1.00 0.00 O ATOM 15990 C3* U B 744 20.966 -23.745 18.259 1.00 0.00 C ATOM 15991 O3* U B 744 21.490 -23.063 19.355 1.00 0.00 O ATOM 15992 C2* U B 744 19.793 -24.646 18.634 1.00 0.00 C ATOM 15993 O2* U B 744 18.913 -23.984 19.526 1.00 0.00 O ATOM 15994 C1* U B 744 19.064 -24.772 17.301 1.00 0.00 C ATOM 15995 N1 U B 744 19.458 -25.973 16.512 1.00 0.00 N ATOM 15996 C2 U B 744 18.988 -27.189 16.947 1.00 0.00 C ATOM 15997 O2 U B 744 18.277 -27.312 17.930 1.00 0.00 O ATOM 15998 N3 U B 744 19.376 -28.278 16.193 1.00 0.00 N ATOM 15999 C4 U B 744 20.174 -28.254 15.066 1.00 0.00 C ATOM 16000 O4 U B 744 20.454 -29.300 14.474 1.00 0.00 O ATOM 16001 C5 U B 744 20.619 -26.935 14.688 1.00 0.00 C ATOM 16002 C6 U B 744 20.258 -25.858 15.406 1.00 0.00 C HETATM16003 P 7MG B 745 23.073 -23.125 20.375 1.00 0.00 P HETATM16004 O1P 7MG B 745 23.859 -21.923 20.030 1.00 0.00 O HETATM16005 O2P 7MG B 745 22.664 -23.241 21.791 1.00 0.00 O HETATM16006 O5* 7MG B 745 24.057 -24.660 19.978 1.00 0.00 O HETATM16007 C5* 7MG B 745 25.261 -25.541 19.948 1.00 0.00 C HETATM16008 C4* 7MG B 745 25.871 -26.509 21.178 1.00 0.00 C HETATM16009 O4* 7MG B 745 26.937 -25.858 21.935 1.00 0.00 O HETATM16010 C3* 7MG B 745 25.356 -27.592 22.127 1.00 0.00 C HETATM16011 O3* 7MG B 745 24.551 -28.890 21.723 1.00 0.00 O HETATM16012 C2* 7MG B 745 26.638 -28.041 22.827 1.00 0.00 C HETATM16013 O2* 7MG B 745 27.407 -28.873 21.978 1.00 0.00 O HETATM16014 C1* 7MG B 745 27.393 -26.725 22.963 1.00 0.00 C HETATM16015 N9 7MG B 745 27.144 -25.783 24.755 1.00 0.00 N HETATM16016 C8 7MG B 745 26.905 -24.458 25.056 1.00 0.00 C HETATM16017 N7 7MG B 745 26.983 -24.181 26.338 1.00 0.00 N HETATM16018 C5 7MG B 745 27.296 -25.407 26.924 1.00 0.00 C HETATM16019 C6 7MG B 745 27.507 -25.737 28.287 1.00 0.00 C HETATM16020 O6 7MG B 745 27.465 -25.009 29.271 1.00 0.00 O HETATM16021 N1 7MG B 745 27.804 -27.102 28.443 1.00 0.00 N HETATM16022 C2 7MG B 745 27.886 -28.000 27.380 1.00 0.00 C HETATM16023 N2 7MG B 745 28.174 -29.270 27.772 1.00 0.00 N HETATM16024 N3 7MG B 745 27.684 -27.706 26.135 1.00 0.00 N HETATM16025 C4 7MG B 745 27.400 -26.389 25.970 1.00 0.00 C HETATM16026 CM7 7MG B 745 26.800 -22.926 26.997 1.00 0.00 C HETATM16027 N1 PSU B 746 17.392 -31.729 25.668 1.00 0.00 N HETATM16028 C2 PSU B 746 16.108 -31.665 25.247 1.00 0.00 C HETATM16029 N3 PSU B 746 15.812 -32.535 24.232 1.00 0.00 N HETATM16030 C4 PSU B 746 16.664 -33.439 23.633 1.00 0.00 C HETATM16031 C5 PSU B 746 18.022 -33.439 24.160 1.00 0.00 C HETATM16032 C6 PSU B 746 18.320 -32.584 25.143 1.00 0.00 C HETATM16033 O2 PSU B 746 15.263 -30.903 25.725 1.00 0.00 O HETATM16034 O4 PSU B 746 16.307 -34.172 22.731 1.00 0.00 O HETATM16035 C1* PSU B 746 19.122 -34.024 23.261 1.00 0.00 C HETATM16036 C2* PSU B 746 19.099 -33.521 21.822 1.00 0.00 C HETATM16037 O2* PSU B 746 19.592 -34.574 21.006 1.00 0.00 O HETATM16038 C3* PSU B 746 20.101 -32.370 21.880 1.00 0.00 C HETATM16039 C4* PSU B 746 21.152 -32.913 22.845 1.00 0.00 C HETATM16040 O3* PSU B 746 20.641 -32.199 20.592 1.00 0.00 O HETATM16041 O4* PSU B 746 20.381 -33.680 23.816 1.00 0.00 O HETATM16042 C5* PSU B 746 22.304 -32.015 23.414 1.00 0.00 C HETATM16043 O5* PSU B 746 23.171 -31.155 22.575 1.00 0.00 O HETATM16044 P PSU B 746 23.775 -29.694 22.915 1.00 0.00 P HETATM16045 O1P PSU B 746 24.709 -29.880 24.047 1.00 0.00 O HETATM16046 O2P PSU B 746 22.552 -28.912 23.207 1.00 0.00 O HETATM16047 N1 5MU B 747 18.254 -28.919 25.077 1.00 0.00 N HETATM16048 C2 5MU B 747 18.223 -28.036 26.127 1.00 0.00 C HETATM16049 N3 5MU B 747 19.377 -27.978 26.882 1.00 0.00 N HETATM16050 C4 5MU B 747 20.530 -28.711 26.682 1.00 0.00 C HETATM16051 C5 5MU B 747 20.465 -29.606 25.553 1.00 0.00 C HETATM16052 C5M 5MU B 747 21.689 -30.457 25.239 1.00 0.00 C HETATM16053 C6 5MU B 747 19.356 -29.685 24.799 1.00 0.00 C HETATM16054 O2 5MU B 747 17.253 -27.347 26.381 1.00 0.00 O HETATM16055 O4 5MU B 747 21.501 -28.570 27.427 1.00 0.00 O HETATM16056 C1* 5MU B 747 17.028 -29.016 24.230 1.00 0.00 C HETATM16057 C2* 5MU B 747 16.830 -27.819 23.304 1.00 0.00 C HETATM16058 O2* 5MU B 747 15.434 -27.667 23.123 1.00 0.00 O HETATM16059 C3* 5MU B 747 17.485 -28.318 22.018 1.00 0.00 C HETATM16060 C4* 5MU B 747 17.104 -29.797 22.014 1.00 0.00 C HETATM16061 O3* 5MU B 747 16.800 -27.785 20.822 1.00 0.00 O HETATM16062 O4* 5MU B 747 17.141 -30.176 23.419 1.00 0.00 O HETATM16063 C5* 5MU B 747 17.970 -30.718 21.140 1.00 0.00 C HETATM16064 O5* 5MU B 747 19.175 -30.129 20.601 1.00 0.00 O HETATM16065 P 5MU B 747 20.602 -30.702 20.257 1.00 0.00 P HETATM16066 O1P 5MU B 747 21.652 -30.096 21.107 1.00 0.00 O HETATM16067 O2P 5MU B 747 20.887 -30.728 18.804 1.00 0.00 O ATOM 16068 P G B 748 16.798 -25.981 20.593 1.00 0.00 P ATOM 16069 O1P G B 748 16.110 -25.265 21.688 1.00 0.00 O ATOM 16070 O2P G B 748 16.403 -25.593 19.220 1.00 0.00 O ATOM 16071 O5* G B 748 18.602 -26.041 20.736 1.00 0.00 O ATOM 16072 C5* G B 748 19.330 -26.647 19.643 1.00 0.00 C ATOM 16073 C4* G B 748 20.981 -26.539 19.767 1.00 0.00 C ATOM 16074 O4* G B 748 21.254 -25.520 20.773 1.00 0.00 O ATOM 16075 C3* G B 748 21.496 -27.833 20.405 1.00 0.00 C ATOM 16076 O3* G B 748 21.801 -28.754 19.164 1.00 0.00 O ATOM 16077 C2* G B 748 22.727 -27.344 21.167 1.00 0.00 C ATOM 16078 O2* G B 748 23.807 -27.114 20.282 1.00 0.00 O ATOM 16079 C1* G B 748 22.262 -25.979 21.664 1.00 0.00 C ATOM 16080 N9 G B 748 21.620 -25.977 23.249 1.00 0.00 N ATOM 16081 C8 G B 748 21.892 -26.828 24.298 1.00 0.00 C ATOM 16082 N7 G B 748 21.166 -26.605 25.367 1.00 0.00 N ATOM 16083 C5 G B 748 20.359 -25.527 24.999 1.00 0.00 C ATOM 16084 C6 G B 748 19.362 -24.837 25.737 1.00 0.00 C ATOM 16085 O6 G B 748 18.982 -25.038 26.889 1.00 0.00 O ATOM 16086 N1 G B 748 18.785 -23.808 24.980 1.00 0.00 N ATOM 16087 C2 G B 748 19.126 -23.485 23.680 1.00 0.00 C ATOM 16088 N2 G B 748 18.459 -22.470 23.135 1.00 0.00 N ATOM 16089 N3 G B 748 20.060 -24.135 22.992 1.00 0.00 N ATOM 16090 C4 G B 748 20.630 -25.138 23.706 1.00 0.00 C ATOM 16091 P A B 749 23.416 -29.011 18.316 1.00 0.00 P ATOM 16092 O1P A B 749 23.308 -30.096 17.318 1.00 0.00 O ATOM 16093 O2P A B 749 24.549 -29.113 19.262 1.00 0.00 O ATOM 16094 O5* A B 749 23.322 -27.407 17.448 1.00 0.00 O ATOM 16095 C5* A B 749 23.606 -26.881 16.129 1.00 0.00 C ATOM 16096 C4* A B 749 25.177 -26.496 15.933 1.00 0.00 C ATOM 16097 O4* A B 749 25.888 -26.255 17.182 1.00 0.00 O ATOM 16098 C3* A B 749 26.172 -27.305 15.096 1.00 0.00 C ATOM 16099 O3* A B 749 25.920 -27.665 13.643 1.00 0.00 O ATOM 16100 C2* A B 749 27.508 -26.688 15.499 1.00 0.00 C ATOM 16101 O2* A B 749 27.692 -25.434 14.863 1.00 0.00 O ATOM 16102 C1* A B 749 27.281 -26.405 16.982 1.00 0.00 C ATOM 16103 N9 A B 749 27.836 -27.602 18.014 1.00 0.00 N ATOM 16104 C8 A B 749 27.235 -28.800 18.338 1.00 0.00 C ATOM 16105 N7 A B 749 27.817 -29.440 19.305 1.00 0.00 N ATOM 16106 C5 A B 749 28.880 -28.618 19.658 1.00 0.00 C ATOM 16107 C6 A B 749 29.884 -28.737 20.630 1.00 0.00 C ATOM 16108 N6 A B 749 29.990 -29.780 21.464 1.00 0.00 N ATOM 16109 N1 A B 749 30.783 -27.739 20.713 1.00 0.00 N ATOM 16110 C2 A B 749 30.681 -26.707 19.876 1.00 0.00 C ATOM 16111 N3 A B 749 29.788 -26.488 18.936 1.00 0.00 N ATOM 16112 C4 A B 749 28.898 -27.499 18.875 1.00 0.00 C ATOM 16113 P A B 750 25.538 -29.443 13.379 1.00 0.00 P ATOM 16114 O1P A B 750 25.410 -29.743 11.938 1.00 0.00 O ATOM 16115 O2P A B 750 24.415 -29.884 14.234 1.00 0.00 O ATOM 16116 O5* A B 750 27.151 -30.025 14.010 1.00 0.00 O ATOM 16117 C5* A B 750 28.236 -30.801 13.459 1.00 0.00 C ATOM 16118 C4* A B 750 28.734 -32.075 14.331 1.00 0.00 C ATOM 16119 O4* A B 750 29.335 -31.849 15.639 1.00 0.00 O ATOM 16120 C3* A B 750 28.012 -33.418 14.484 1.00 0.00 C ATOM 16121 O3* A B 750 27.646 -34.091 13.156 1.00 0.00 O ATOM 16122 C2* A B 750 28.959 -34.181 15.410 1.00 0.00 C ATOM 16123 O2* A B 750 30.089 -34.649 14.697 1.00 0.00 O ATOM 16124 C1* A B 750 29.441 -33.079 16.341 1.00 0.00 C ATOM 16125 N9 A B 750 28.573 -32.945 17.782 1.00 0.00 N ATOM 16126 C8 A B 750 27.860 -31.863 18.253 1.00 0.00 C ATOM 16127 N7 A B 750 27.460 -31.993 19.477 1.00 0.00 N ATOM 16128 C5 A B 750 27.938 -33.236 19.862 1.00 0.00 C ATOM 16129 C6 A B 750 27.847 -33.958 21.063 1.00 0.00 C ATOM 16130 N6 A B 750 27.211 -33.504 22.147 1.00 0.00 N ATOM 16131 N1 A B 750 28.437 -35.167 21.102 1.00 0.00 N ATOM 16132 C2 A B 750 29.069 -35.609 20.019 1.00 0.00 C ATOM 16133 N3 A B 750 29.217 -35.030 18.848 1.00 0.00 N ATOM 16134 C4 A B 750 28.616 -33.822 18.833 1.00 0.00 C ATOM 16135 P A B 751 25.854 -34.156 12.829 1.00 0.00 P ATOM 16136 O1P A B 751 25.501 -33.762 11.449 1.00 0.00 O ATOM 16137 O2P A B 751 25.087 -33.491 13.906 1.00 0.00 O ATOM 16138 O5* A B 751 25.896 -35.961 12.997 1.00 0.00 O ATOM 16139 C5* A B 751 26.415 -37.259 13.296 1.00 0.00 C ATOM 16140 C4* A B 751 26.173 -37.692 14.840 1.00 0.00 C ATOM 16141 O4* A B 751 26.824 -36.907 15.878 1.00 0.00 O ATOM 16142 C3* A B 751 24.795 -38.003 15.427 1.00 0.00 C ATOM 16143 O3* A B 751 24.010 -39.157 14.766 1.00 0.00 O ATOM 16144 C2* A B 751 25.113 -38.193 16.910 1.00 0.00 C ATOM 16145 O2* A B 751 25.723 -39.457 17.135 1.00 0.00 O ATOM 16146 C1* A B 751 26.195 -37.139 17.124 1.00 0.00 C ATOM 16147 N9 A B 751 25.633 -35.666 17.716 1.00 0.00 N ATOM 16148 C8 A B 751 25.658 -34.433 17.104 1.00 0.00 C ATOM 16149 N7 A B 751 25.307 -33.452 17.879 1.00 0.00 N ATOM 16150 C5 A B 751 25.030 -34.066 19.091 1.00 0.00 C ATOM 16151 C6 A B 751 24.603 -33.563 20.329 1.00 0.00 C ATOM 16152 N6 A B 751 24.373 -32.261 20.561 1.00 0.00 N ATOM 16153 N1 A B 751 24.424 -34.448 21.329 1.00 0.00 N ATOM 16154 C2 A B 751 24.654 -35.739 21.093 1.00 0.00 C ATOM 16155 N3 A B 751 25.050 -36.321 19.982 1.00 0.00 N ATOM 16156 C4 A B 751 25.226 -35.415 19.001 1.00 0.00 C ATOM 16157 P A B 752 22.766 -38.767 13.478 1.00 0.00 P ATOM 16158 O1P A B 752 23.205 -39.228 12.145 1.00 0.00 O ATOM 16159 O2P A B 752 22.290 -37.368 13.555 1.00 0.00 O ATOM 16160 O5* A B 752 21.556 -39.928 14.208 1.00 0.00 O ATOM 16161 C5* A B 752 20.529 -40.558 15.015 1.00 0.00 C ATOM 16162 C4* A B 752 20.446 -39.917 16.525 1.00 0.00 C ATOM 16163 O4* A B 752 21.681 -39.226 16.861 1.00 0.00 O ATOM 16164 C3* A B 752 19.350 -38.922 16.922 1.00 0.00 C ATOM 16165 O3* A B 752 17.999 -39.683 17.200 1.00 0.00 O ATOM 16166 C2* A B 752 19.943 -38.276 18.172 1.00 0.00 C ATOM 16167 O2* A B 752 19.835 -39.146 19.286 1.00 0.00 O ATOM 16168 C1* A B 752 21.424 -38.204 17.808 1.00 0.00 C ATOM 16169 N9 A B 752 21.914 -36.738 17.148 1.00 0.00 N ATOM 16170 C8 A B 752 22.301 -36.467 15.857 1.00 0.00 C ATOM 16171 N7 A B 752 22.510 -35.208 15.620 1.00 0.00 N ATOM 16172 C5 A B 752 22.239 -34.590 16.835 1.00 0.00 C ATOM 16173 C6 A B 752 22.273 -33.248 17.245 1.00 0.00 C ATOM 16174 N6 A B 752 22.607 -32.236 16.431 1.00 0.00 N ATOM 16175 N1 A B 752 21.943 -32.979 18.524 1.00 0.00 N ATOM 16176 C2 A B 752 21.607 -33.991 19.324 1.00 0.00 C ATOM 16177 N3 A B 752 21.540 -35.278 19.051 1.00 0.00 N ATOM 16178 C4 A B 752 21.877 -35.515 17.770 1.00 0.00 C ATOM 16179 P A B 753 16.432 -39.367 16.281 1.00 0.00 P ATOM 16180 O1P A B 753 15.363 -40.363 16.052 1.00 0.00 O ATOM 16181 O2P A B 753 17.170 -38.929 15.075 1.00 0.00 O ATOM 16182 O5* A B 753 15.835 -38.094 17.046 1.00 0.00 O ATOM 16183 C5* A B 753 15.155 -38.287 18.296 1.00 0.00 C ATOM 16184 C4* A B 753 14.788 -36.946 18.901 1.00 0.00 C ATOM 16185 O4* A B 753 16.008 -36.256 19.293 1.00 0.00 O ATOM 16186 C3* A B 753 14.095 -35.961 17.959 1.00 0.00 C ATOM 16187 O3* A B 753 12.723 -36.191 17.899 1.00 0.00 O ATOM 16188 C2* A B 753 14.436 -34.617 18.598 1.00 0.00 C ATOM 16189 O2* A B 753 13.641 -34.387 19.748 1.00 0.00 O ATOM 16190 C1* A B 753 15.862 -34.860 19.084 1.00 0.00 C ATOM 16191 N9 A B 753 16.909 -34.428 18.118 1.00 0.00 N ATOM 16192 C8 A B 753 17.712 -35.197 17.306 1.00 0.00 C ATOM 16193 N7 A B 753 18.530 -34.511 16.569 1.00 0.00 N ATOM 16194 C5 A B 753 18.259 -33.194 16.907 1.00 0.00 C ATOM 16195 C6 A B 753 18.797 -31.971 16.467 1.00 0.00 C ATOM 16196 N6 A B 753 19.769 -31.881 15.549 1.00 0.00 N ATOM 16197 N1 A B 753 18.298 -30.847 17.009 1.00 0.00 N ATOM 16198 C2 A B 753 17.331 -30.943 17.921 1.00 0.00 C ATOM 16199 N3 A B 753 16.754 -32.021 18.405 1.00 0.00 N ATOM 16200 C4 A B 753 17.272 -33.135 17.848 1.00 0.00 C ATOM 16201 P U B 754 11.942 -35.918 16.492 1.00 0.00 P ATOM 16202 O1P U B 754 10.606 -36.557 16.514 1.00 0.00 O ATOM 16203 O2P U B 754 12.817 -36.298 15.361 1.00 0.00 O ATOM 16204 O5* U B 754 11.781 -34.328 16.542 1.00 0.00 O ATOM 16205 C5* U B 754 11.036 -33.734 17.622 1.00 0.00 C ATOM 16206 C4* U B 754 11.119 -32.223 17.542 1.00 0.00 C ATOM 16207 O4* U B 754 12.488 -31.811 17.821 1.00 0.00 O ATOM 16208 C3* U B 754 10.823 -31.614 16.172 1.00 0.00 C ATOM 16209 O3* U B 754 9.454 -31.446 15.972 1.00 0.00 O ATOM 16210 C2* U B 754 11.573 -30.287 16.244 1.00 0.00 C ATOM 16211 O2* U B 754 10.863 -29.349 17.038 1.00 0.00 O ATOM 16212 C1* U B 754 12.821 -30.681 17.029 1.00 0.00 C ATOM 16213 N1 U B 754 13.978 -31.045 16.168 1.00 0.00 N ATOM 16214 C2 U B 754 14.636 -30.020 15.535 1.00 0.00 C ATOM 16215 O2 U B 754 14.310 -28.851 15.653 1.00 0.00 O ATOM 16216 N3 U B 754 15.705 -30.399 14.746 1.00 0.00 N ATOM 16217 C4 U B 754 16.160 -31.686 14.544 1.00 0.00 C ATOM 16218 O4 U B 754 17.129 -31.900 13.811 1.00 0.00 O ATOM 16219 C5 U B 754 15.406 -32.692 15.250 1.00 0.00 C ATOM 16220 C6 U B 754 14.362 -32.356 16.021 1.00 0.00 C ATOM 16221 P U B 755 8.850 -31.622 14.464 1.00 0.00 P ATOM 16222 O1P U B 755 7.379 -31.772 14.515 1.00 0.00 O ATOM 16223 O2P U B 755 9.585 -32.699 13.766 1.00 0.00 O ATOM 16224 O5* U B 755 9.228 -30.204 13.823 1.00 0.00 O ATOM 16225 C5* U B 755 8.693 -29.006 14.412 1.00 0.00 C ATOM 16226 C4* U B 755 9.276 -27.786 13.729 1.00 0.00 C ATOM 16227 O4* U B 755 10.695 -27.700 14.046 1.00 0.00 O ATOM 16228 C3* U B 755 9.239 -27.798 12.200 1.00 0.00 C ATOM 16229 O3* U B 755 8.013 -27.354 11.713 1.00 0.00 O ATOM 16230 C2* U B 755 10.389 -26.857 11.846 1.00 0.00 C ATOM 16231 O2* U B 755 10.010 -25.504 12.042 1.00 0.00 O ATOM 16232 C1* U B 755 11.408 -27.195 12.930 1.00 0.00 C ATOM 16233 N1 U B 755 12.406 -28.222 12.516 1.00 0.00 N ATOM 16234 C2 U B 755 13.386 -27.825 11.640 1.00 0.00 C ATOM 16235 O2 U B 755 13.464 -26.687 11.203 1.00 0.00 O ATOM 16236 N3 U B 755 14.290 -28.802 11.278 1.00 0.00 N ATOM 16237 C4 U B 755 14.296 -30.113 11.710 1.00 0.00 C ATOM 16238 O4 U B 755 15.160 -30.901 11.316 1.00 0.00 O ATOM 16239 C5 U B 755 13.228 -30.436 12.626 1.00 0.00 C ATOM 16240 C6 U B 755 12.333 -29.503 12.994 1.00 0.00 C ATOM 16241 P A B 756 7.432 -28.009 10.334 1.00 0.00 P ATOM 16242 O1P A B 756 5.994 -27.695 10.183 1.00 0.00 O ATOM 16243 O2P A B 756 7.786 -29.446 10.285 1.00 0.00 O ATOM 16244 O5* A B 756 8.280 -27.206 9.240 1.00 0.00 O ATOM 16245 C5* A B 756 8.157 -25.773 9.177 1.00 0.00 C ATOM 16246 C4* A B 756 9.134 -25.212 8.162 1.00 0.00 C ATOM 16247 O4* A B 756 10.487 -25.405 8.659 1.00 0.00 O ATOM 16248 C3* A B 756 9.142 -25.898 6.797 1.00 0.00 C ATOM 16249 O3* A B 756 8.148 -25.392 5.964 1.00 0.00 O ATOM 16250 C2* A B 756 10.550 -25.587 6.292 1.00 0.00 C ATOM 16251 O2* A B 756 10.637 -24.247 5.840 1.00 0.00 O ATOM 16252 C1* A B 756 11.364 -25.678 7.577 1.00 0.00 C ATOM 16253 N9 A B 756 11.974 -27.020 7.806 1.00 0.00 N ATOM 16254 C8 A B 756 11.603 -27.996 8.701 1.00 0.00 C ATOM 16255 N7 A B 756 12.345 -29.060 8.655 1.00 0.00 N ATOM 16256 C5 A B 756 13.273 -28.779 7.663 1.00 0.00 C ATOM 16257 C6 A B 756 14.341 -29.518 7.127 1.00 0.00 C ATOM 16258 N6 A B 756 14.672 -30.748 7.546 1.00 0.00 N ATOM 16259 N1 A B 756 15.066 -28.941 6.151 1.00 0.00 N ATOM 16260 C2 A B 756 14.732 -27.718 5.742 1.00 0.00 C ATOM 16261 N3 A B 756 13.760 -26.938 6.162 1.00 0.00 N ATOM 16262 C4 A B 756 13.051 -27.537 7.140 1.00 0.00 C ATOM 16263 P G B 757 7.425 -26.400 4.903 1.00 0.00 P ATOM 16264 O1P G B 757 6.179 -25.789 4.385 1.00 0.00 O ATOM 16265 O2P G B 757 7.279 -27.739 5.514 1.00 0.00 O ATOM 16266 O5* G B 757 8.524 -26.451 3.739 1.00 0.00 O ATOM 16267 C5* G B 757 8.887 -25.231 3.068 1.00 0.00 C ATOM 16268 C4* G B 757 10.024 -25.491 2.099 1.00 0.00 C ATOM 16269 O4* G B 757 11.222 -25.816 2.861 1.00 0.00 O ATOM 16270 C3* G B 757 9.846 -26.687 1.166 1.00 0.00 C ATOM 16271 O3* G B 757 9.100 -26.347 0.037 1.00 0.00 O ATOM 16272 C2* G B 757 11.291 -27.050 0.834 1.00 0.00 C ATOM 16273 O2* G B 757 11.833 -26.143 -0.110 1.00 0.00 O ATOM 16274 C1* G B 757 11.989 -26.784 2.160 1.00 0.00 C ATOM 16275 N9 G B 757 12.109 -27.991 3.029 1.00 0.00 N ATOM 16276 C8 G B 757 11.409 -28.315 4.168 1.00 0.00 C ATOM 16277 N7 G B 757 11.758 -29.461 4.700 1.00 0.00 N ATOM 16278 C5 G B 757 12.759 -29.929 3.851 1.00 0.00 C ATOM 16279 C6 G B 757 13.525 -31.121 3.909 1.00 0.00 C ATOM 16280 O6 G B 757 13.475 -32.027 4.735 1.00 0.00 O ATOM 16281 N1 G B 757 14.435 -31.200 2.845 1.00 0.00 N ATOM 16282 C2 G B 757 14.587 -30.249 1.855 1.00 0.00 C ATOM 16283 N2 G B 757 15.511 -30.511 0.926 1.00 0.00 N ATOM 16284 N3 G B 757 13.868 -29.130 1.802 1.00 0.00 N ATOM 16285 C4 G B 757 12.982 -29.038 2.826 1.00 0.00 C ATOM 16286 P C B 758 7.522 -26.993 -0.559 1.00 0.00 P ATOM 16287 O1P C B 758 6.950 -25.959 -1.452 1.00 0.00 O ATOM 16288 O2P C B 758 6.586 -28.053 -0.124 1.00 0.00 O ATOM 16289 O5* C B 758 8.804 -27.655 -1.247 1.00 0.00 O ATOM 16290 C5* C B 758 9.888 -26.802 -1.669 1.00 0.00 C ATOM 16291 C4* C B 758 11.039 -27.643 -2.175 1.00 0.00 C ATOM 16292 O4* C B 758 11.616 -28.377 -1.058 1.00 0.00 O ATOM 16293 C3* C B 758 10.678 -28.734 -3.182 1.00 0.00 C ATOM 16294 O3* C B 758 10.613 -28.232 -4.482 1.00 0.00 O ATOM 16295 C2* C B 758 11.817 -29.734 -2.996 1.00 0.00 C ATOM 16296 O2* C B 758 13.003 -29.271 -3.622 1.00 0.00 O ATOM 16297 C1* C B 758 12.053 -29.656 -1.491 1.00 0.00 C ATOM 16298 N1 C B 758 11.306 -30.687 -0.716 1.00 0.00 N ATOM 16299 C2 C B 758 11.768 -31.998 -0.768 1.00 0.00 C ATOM 16300 O2 C B 758 12.767 -32.253 -1.447 1.00 0.00 O ATOM 16301 N3 C B 758 11.103 -32.952 -0.069 1.00 0.00 N ATOM 16302 C4 C B 758 10.024 -32.636 0.658 1.00 0.00 C ATOM 16303 N4 C B 758 9.407 -33.602 1.325 1.00 0.00 N ATOM 16304 C5 C B 758 9.533 -31.291 0.725 1.00 0.00 C ATOM 16305 C6 C B 758 10.211 -30.353 0.018 1.00 0.00 C ATOM 16306 P G B 759 9.523 -28.870 -5.516 1.00 0.00 P ATOM 16307 O1P G B 759 9.352 -27.984 -6.691 1.00 0.00 O ATOM 16308 O2P G B 759 8.285 -29.214 -4.783 1.00 0.00 O ATOM 16309 O5* G B 759 10.281 -30.207 -5.958 1.00 0.00 O ATOM 16310 C5* G B 759 11.558 -30.106 -6.615 1.00 0.00 C ATOM 16311 C4* G B 759 12.144 -31.488 -6.828 1.00 0.00 C ATOM 16312 O4* G B 759 12.486 -32.059 -5.533 1.00 0.00 O ATOM 16313 C3* G B 759 11.207 -32.522 -7.451 1.00 0.00 C ATOM 16314 O3* G B 759 11.194 -32.426 -8.842 1.00 0.00 O ATOM 16315 C2* G B 759 11.806 -33.837 -6.956 1.00 0.00 C ATOM 16316 O2* G B 759 12.975 -34.163 -7.688 1.00 0.00 O ATOM 16317 C1* G B 759 12.253 -33.459 -5.546 1.00 0.00 C ATOM 16318 N9 G B 759 11.245 -33.769 -4.496 1.00 0.00 N ATOM 16319 C8 G B 759 10.423 -32.910 -3.797 1.00 0.00 C ATOM 16320 N7 G B 759 9.639 -33.509 -2.931 1.00 0.00 N ATOM 16321 C5 G B 759 9.963 -34.857 -3.068 1.00 0.00 C ATOM 16322 C6 G B 759 9.451 -35.993 -2.391 1.00 0.00 C ATOM 16323 O6 G B 759 8.585 -36.046 -1.520 1.00 0.00 O ATOM 16324 N1 G B 759 10.062 -37.174 -2.838 1.00 0.00 N ATOM 16325 C2 G B 759 11.043 -37.248 -3.808 1.00 0.00 C ATOM 16326 N2 G B 759 11.497 -38.468 -4.091 1.00 0.00 N ATOM 16327 N3 G B 759 11.525 -36.181 -4.440 1.00 0.00 N ATOM 16328 C4 G B 759 10.943 -35.026 -4.019 1.00 0.00 C ATOM 16329 P G B 760 9.805 -32.751 -9.636 1.00 0.00 P ATOM 16330 O1P G B 760 9.881 -32.249 -11.027 1.00 0.00 O ATOM 16331 O2P G B 760 8.654 -32.267 -8.841 1.00 0.00 O ATOM 16332 O5* G B 760 9.828 -34.353 -9.638 1.00 0.00 O ATOM 16333 C5* G B 760 10.918 -35.035 -10.283 1.00 0.00 C ATOM 16334 C4* G B 760 10.806 -36.526 -10.056 1.00 0.00 C ATOM 16335 O4* G B 760 11.033 -36.807 -8.644 1.00 0.00 O ATOM 16336 C3* G B 760 9.432 -37.143 -10.338 1.00 0.00 C ATOM 16337 O3* G B 760 9.273 -37.441 -11.687 1.00 0.00 O ATOM 16338 C2* G B 760 9.455 -38.389 -9.455 1.00 0.00 C ATOM 16339 O2* G B 760 10.249 -39.404 -10.038 1.00 0.00 O ATOM 16340 C1* G B 760 10.209 -37.886 -8.227 1.00 0.00 C ATOM 16341 N9 G B 760 9.320 -37.390 -7.138 1.00 0.00 N ATOM 16342 C8 G B 760 9.061 -36.096 -6.746 1.00 0.00 C ATOM 16343 N7 G B 760 8.221 -35.998 -5.744 1.00 0.00 N ATOM 16344 C5 G B 760 7.901 -37.324 -5.452 1.00 0.00 C ATOM 16345 C6 G B 760 7.036 -37.857 -4.463 1.00 0.00 C ATOM 16346 O6 G B 760 6.363 -37.264 -3.627 1.00 0.00 O ATOM 16347 N1 G B 760 6.998 -39.257 -4.517 1.00 0.00 N ATOM 16348 C2 G B 760 7.707 -40.041 -5.410 1.00 0.00 C ATOM 16349 N2 G B 760 7.533 -41.359 -5.297 1.00 0.00 N ATOM 16350 N3 G B 760 8.517 -39.539 -6.337 1.00 0.00 N ATOM 16351 C4 G B 760 8.564 -38.180 -6.298 1.00 0.00 C ATOM 16352 P A B 761 10.889 -37.038 -12.664 1.00 0.00 P ATOM 16353 O1P A B 761 10.647 -35.750 -13.360 1.00 0.00 O ATOM 16354 O2P A B 761 11.187 -38.198 -13.538 1.00 0.00 O ATOM 16355 O5* A B 761 12.400 -36.755 -11.511 1.00 0.00 O ATOM 16356 C5* A B 761 13.155 -35.492 -10.938 1.00 0.00 C ATOM 16357 C4* A B 761 14.197 -35.575 -9.638 1.00 0.00 C ATOM 16358 O4* A B 761 14.867 -36.864 -9.726 1.00 0.00 O ATOM 16359 C3* A B 761 14.993 -34.819 -8.572 1.00 0.00 C ATOM 16360 O3* A B 761 15.011 -33.328 -7.875 1.00 0.00 O ATOM 16361 C2* A B 761 15.356 -35.935 -7.592 1.00 0.00 C ATOM 16362 O2* A B 761 14.240 -36.288 -6.796 1.00 0.00 O ATOM 16363 C1* A B 761 15.612 -37.104 -8.542 1.00 0.00 C ATOM 16364 N9 A B 761 17.175 -37.314 -8.953 1.00 0.00 N ATOM 16365 C8 A B 761 17.690 -37.767 -10.147 1.00 0.00 C ATOM 16366 N7 A B 761 18.980 -37.661 -10.236 1.00 0.00 N ATOM 16367 C5 A B 761 19.353 -37.090 -9.026 1.00 0.00 C ATOM 16368 C6 A B 761 20.603 -36.716 -8.503 1.00 0.00 C ATOM 16369 N6 A B 761 21.759 -36.867 -9.165 1.00 0.00 N ATOM 16370 N1 A B 761 20.615 -36.179 -7.266 1.00 0.00 N ATOM 16371 C2 A B 761 19.465 -36.027 -6.617 1.00 0.00 C ATOM 16372 N3 A B 761 18.246 -36.339 -7.004 1.00 0.00 N ATOM 16373 C4 A B 761 18.261 -36.876 -8.241 1.00 0.00 C ATOM 16374 P U B 762 16.546 -32.188 -7.620 1.00 0.00 P ATOM 16375 O1P U B 762 16.427 -31.075 -8.584 1.00 0.00 O ATOM 16376 O2P U B 762 17.692 -33.101 -7.831 1.00 0.00 O ATOM 16377 O5* U B 762 16.793 -31.266 -5.935 1.00 0.00 O ATOM 16378 C5* U B 762 17.299 -30.123 -4.945 1.00 0.00 C ATOM 16379 C4* U B 762 18.939 -29.984 -4.412 1.00 0.00 C ATOM 16380 O4* U B 762 19.441 -30.707 -5.572 1.00 0.00 O ATOM 16381 C3* U B 762 20.065 -28.996 -4.082 1.00 0.00 C ATOM 16382 O3* U B 762 20.634 -27.635 -5.163 1.00 0.00 O ATOM 16383 C2* U B 762 21.310 -29.807 -4.418 1.00 0.00 C ATOM 16384 O2* U B 762 21.583 -30.760 -3.398 1.00 0.00 O ATOM 16385 C1* U B 762 20.852 -30.591 -5.639 1.00 0.00 C ATOM 16386 N1 U B 762 21.471 -32.051 -5.764 1.00 0.00 N ATOM 16387 C2 U B 762 20.670 -33.015 -6.324 1.00 0.00 C ATOM 16388 O2 U B 762 19.482 -32.848 -6.535 1.00 0.00 O ATOM 16389 N3 U B 762 21.301 -34.206 -6.640 1.00 0.00 N ATOM 16390 C4 U B 762 22.638 -34.497 -6.447 1.00 0.00 C ATOM 16391 O4 U B 762 23.089 -35.600 -6.771 1.00 0.00 O ATOM 16392 C5 U B 762 23.396 -33.426 -5.851 1.00 0.00 C ATOM 16393 C6 U B 762 22.806 -32.263 -5.536 1.00 0.00 C ATOM 16394 P G B 763 22.468 -26.433 -5.880 1.00 0.00 P ATOM 16395 O1P G B 763 23.277 -26.863 -4.717 1.00 0.00 O ATOM 16396 O2P G B 763 21.176 -25.788 -5.562 1.00 0.00 O ATOM 16397 O5* G B 763 22.228 -27.675 -6.861 1.00 0.00 O ATOM 16398 C5* G B 763 22.430 -29.007 -6.361 1.00 0.00 C ATOM 16399 C4* G B 763 22.029 -30.022 -7.415 1.00 0.00 C ATOM 16400 O4* G B 763 20.585 -29.958 -7.604 1.00 0.00 O ATOM 16401 C3* G B 763 22.596 -29.788 -8.815 1.00 0.00 C ATOM 16402 O3* G B 763 23.878 -30.318 -8.943 1.00 0.00 O ATOM 16403 C2* G B 763 21.573 -30.502 -9.697 1.00 0.00 C ATOM 16404 O2* G B 763 21.753 -31.906 -9.641 1.00 0.00 O ATOM 16405 C1* G B 763 20.270 -30.191 -8.967 1.00 0.00 C ATOM 16406 N9 G B 763 19.564 -28.990 -9.488 1.00 0.00 N ATOM 16407 C8 G B 763 19.451 -27.735 -8.930 1.00 0.00 C ATOM 16408 N7 G B 763 18.752 -26.889 -9.651 1.00 0.00 N ATOM 16409 C5 G B 763 18.376 -27.638 -10.765 1.00 0.00 C ATOM 16410 C6 G B 763 17.609 -27.264 -11.898 1.00 0.00 C ATOM 16411 O6 G B 763 17.089 -26.182 -12.156 1.00 0.00 O ATOM 16412 N1 G B 763 17.464 -28.334 -12.794 1.00 0.00 N ATOM 16413 C2 G B 763 17.995 -29.596 -12.618 1.00 0.00 C ATOM 16414 N2 G B 763 17.746 -30.477 -13.591 1.00 0.00 N ATOM 16415 N3 G B 763 18.718 -29.946 -11.555 1.00 0.00 N ATOM 16416 C4 G B 763 18.866 -28.919 -10.675 1.00 0.00 C ATOM 16417 P A B 764 25.202 -29.440 -8.069 1.00 0.00 P ATOM 16418 O1P A B 764 26.517 -29.680 -8.708 1.00 0.00 O ATOM 16419 O2P A B 764 25.164 -29.588 -6.598 1.00 0.00 O ATOM 16420 O5* A B 764 24.377 -27.939 -8.655 1.00 0.00 O ATOM 16421 C5* A B 764 24.858 -26.622 -8.616 1.00 0.00 C ATOM 16422 C4* A B 764 24.409 -25.496 -9.686 1.00 0.00 C ATOM 16423 O4* A B 764 23.515 -25.496 -10.835 1.00 0.00 O ATOM 16424 C3* A B 764 24.288 -24.080 -9.128 1.00 0.00 C ATOM 16425 O3* A B 764 26.085 -24.395 -9.162 1.00 0.00 O ATOM 16426 C2* A B 764 24.135 -23.241 -10.398 1.00 0.00 C ATOM 16427 O2* A B 764 25.383 -23.095 -11.056 1.00 0.00 O ATOM 16428 C1* A B 764 23.283 -24.166 -11.262 1.00 0.00 C ATOM 16429 N9 A B 764 21.663 -23.873 -11.198 1.00 0.00 N ATOM 16430 C8 A B 764 20.707 -24.542 -10.465 1.00 0.00 C ATOM 16431 N7 A B 764 19.490 -24.269 -10.812 1.00 0.00 N ATOM 16432 C5 A B 764 19.631 -23.355 -11.841 1.00 0.00 C ATOM 16433 C6 A B 764 18.695 -22.667 -12.639 1.00 0.00 C ATOM 16434 N6 A B 764 17.367 -22.815 -12.510 1.00 0.00 N ATOM 16435 N1 A B 764 19.178 -21.830 -13.574 1.00 0.00 N ATOM 16436 C2 A B 764 20.495 -21.691 -13.696 1.00 0.00 C ATOM 16437 N3 A B 764 21.457 -22.271 -13.014 1.00 0.00 N ATOM 16438 C4 A B 764 20.952 -23.106 -12.086 1.00 0.00 C ATOM 16439 P C B 765 26.947 -25.277 -10.767 1.00 0.00 P ATOM 16440 O1P C B 765 28.241 -25.863 -10.354 1.00 0.00 O ATOM 16441 O2P C B 765 27.030 -24.070 -11.615 1.00 0.00 O ATOM 16442 O5* C B 765 26.057 -26.393 -11.495 1.00 0.00 O ATOM 16443 C5* C B 765 25.773 -27.621 -10.801 1.00 0.00 C ATOM 16444 C4* C B 765 24.820 -28.469 -11.619 1.00 0.00 C ATOM 16445 O4* C B 765 23.523 -27.808 -11.662 1.00 0.00 O ATOM 16446 C3* C B 765 25.189 -28.655 -13.090 1.00 0.00 C ATOM 16447 O3* C B 765 26.097 -29.696 -13.263 1.00 0.00 O ATOM 16448 C2* C B 765 23.832 -28.946 -13.726 1.00 0.00 C ATOM 16449 O2* C B 765 23.426 -30.275 -13.453 1.00 0.00 O ATOM 16450 C1* C B 765 22.913 -28.028 -12.925 1.00 0.00 C ATOM 16451 N1 C B 765 22.689 -26.702 -13.565 1.00 0.00 N ATOM 16452 C2 C B 765 21.852 -26.651 -14.676 1.00 0.00 C ATOM 16453 O2 C B 765 21.334 -27.697 -15.082 1.00 0.00 O ATOM 16454 N3 C B 765 21.634 -25.450 -15.274 1.00 0.00 N ATOM 16455 C4 C B 765 22.213 -24.338 -14.804 1.00 0.00 C ATOM 16456 N4 C B 765 21.969 -23.194 -15.423 1.00 0.00 N ATOM 16457 C5 C B 765 23.079 -24.370 -13.662 1.00 0.00 C ATOM 16458 C6 C B 765 23.283 -25.579 -13.079 1.00 0.00 C ATOM 16459 P U B 766 27.213 -29.578 -14.448 1.00 0.00 P ATOM 16460 O1P U B 766 28.289 -30.573 -14.243 1.00 0.00 O ATOM 16461 O2P U B 766 27.654 -28.171 -14.571 1.00 0.00 O ATOM 16462 O5* U B 766 26.339 -29.986 -15.728 1.00 0.00 O ATOM 16463 C5* U B 766 25.736 -31.291 -15.770 1.00 0.00 C ATOM 16464 C4* U B 766 24.857 -31.416 -16.998 1.00 0.00 C ATOM 16465 O4* U B 766 23.713 -30.528 -16.851 1.00 0.00 O ATOM 16466 C3* U B 766 25.494 -30.980 -18.318 1.00 0.00 C ATOM 16467 O3* U B 766 26.252 -32.004 -18.885 1.00 0.00 O ATOM 16468 C2* U B 766 24.271 -30.616 -19.159 1.00 0.00 C ATOM 16469 O2* U B 766 23.621 -31.785 -19.628 1.00 0.00 O ATOM 16470 C1* U B 766 23.354 -29.987 -18.113 1.00 0.00 C ATOM 16471 N1 U B 766 23.472 -28.506 -18.030 1.00 0.00 N ATOM 16472 C2 U B 766 22.904 -27.777 -19.048 1.00 0.00 C ATOM 16473 O2 U B 766 22.326 -28.290 -19.988 1.00 0.00 O ATOM 16474 N3 U B 766 23.033 -26.405 -18.937 1.00 0.00 N ATOM 16475 C4 U B 766 23.665 -25.721 -17.918 1.00 0.00 C ATOM 16476 O4 U B 766 23.717 -24.487 -17.927 1.00 0.00 O ATOM 16477 C5 U B 766 24.227 -26.574 -16.897 1.00 0.00 C ATOM 16478 C6 U B 766 24.119 -27.910 -16.981 1.00 0.00 C ATOM 16479 P U B 767 27.595 -31.612 -19.725 1.00 0.00 P ATOM 16480 O1P U B 767 28.441 -32.810 -19.921 1.00 0.00 O ATOM 16481 O2P U B 767 28.258 -30.454 -19.084 1.00 0.00 O ATOM 16482 O5* U B 767 26.955 -31.167 -21.122 1.00 0.00 O ATOM 16483 C5* U B 767 26.185 -32.121 -21.874 1.00 0.00 C ATOM 16484 C4* U B 767 25.575 -31.451 -23.090 1.00 0.00 C ATOM 16485 O4* U B 767 24.573 -30.492 -22.648 1.00 0.00 O ATOM 16486 C3* U B 767 26.532 -30.617 -23.941 1.00 0.00 C ATOM 16487 O3* U B 767 27.228 -31.406 -24.855 1.00 0.00 O ATOM 16488 C2* U B 767 25.582 -29.633 -24.619 1.00 0.00 C ATOM 16489 O2* U B 767 24.876 -30.262 -25.674 1.00 0.00 O ATOM 16490 C1* U B 767 24.573 -29.363 -23.507 1.00 0.00 C ATOM 16491 N1 U B 767 24.891 -28.164 -22.687 1.00 0.00 N ATOM 16492 C2 U B 767 24.667 -26.934 -23.262 1.00 0.00 C ATOM 16493 O2 U B 767 24.227 -26.804 -24.392 1.00 0.00 O ATOM 16494 N3 U B 767 24.972 -25.845 -22.471 1.00 0.00 N ATOM 16495 C4 U B 767 25.472 -25.878 -21.185 1.00 0.00 C ATOM 16496 O4 U B 767 25.708 -24.833 -20.578 1.00 0.00 O ATOM 16497 C5 U B 767 25.677 -27.210 -20.670 1.00 0.00 C ATOM 16498 C6 U B 767 25.387 -28.291 -21.417 1.00 0.00 C ATOM 16499 P G B 768 28.763 -30.997 -25.236 1.00 0.00 P ATOM 16500 O1P G B 768 29.440 -32.127 -25.910 1.00 0.00 O ATOM 16501 O2P G B 768 29.441 -30.457 -24.038 1.00 0.00 O ATOM 16502 O5* G B 768 28.502 -29.819 -26.289 1.00 0.00 O ATOM 16503 C5* G B 768 27.773 -30.106 -27.492 1.00 0.00 C ATOM 16504 C4* G B 768 27.538 -28.829 -28.278 1.00 0.00 C ATOM 16505 O4* G B 768 26.620 -27.980 -27.529 1.00 0.00 O ATOM 16506 C3* G B 768 28.766 -27.946 -28.490 1.00 0.00 C ATOM 16507 O3* G B 768 29.510 -28.361 -29.591 1.00 0.00 O ATOM 16508 C2* G B 768 28.138 -26.568 -28.689 1.00 0.00 C ATOM 16509 O2* G B 768 27.581 -26.451 -29.988 1.00 0.00 O ATOM 16510 C1* G B 768 26.970 -26.617 -27.709 1.00 0.00 C ATOM 16511 N9 G B 768 27.288 -26.046 -26.371 1.00 0.00 N ATOM 16512 C8 G B 768 27.512 -26.694 -25.176 1.00 0.00 C ATOM 16513 N7 G B 768 27.769 -25.888 -24.172 1.00 0.00 N ATOM 16514 C5 G B 768 27.709 -24.619 -24.742 1.00 0.00 C ATOM 16515 C6 G B 768 27.898 -23.342 -24.154 1.00 0.00 C ATOM 16516 O6 G B 768 28.165 -23.064 -22.987 1.00 0.00 O ATOM 16517 N1 G B 768 27.747 -22.315 -25.094 1.00 0.00 N ATOM 16518 C2 G B 768 27.452 -22.497 -26.431 1.00 0.00 C ATOM 16519 N2 G B 768 27.350 -21.386 -27.164 1.00 0.00 N ATOM 16520 N3 G B 768 27.272 -23.694 -26.984 1.00 0.00 N ATOM 16521 C4 G B 768 27.415 -24.702 -26.084 1.00 0.00 C ATOM 16522 P U B 769 31.134 -28.190 -29.553 1.00 0.00 P ATOM 16523 O1P U B 769 31.760 -29.004 -30.617 1.00 0.00 O ATOM 16524 O2P U B 769 31.621 -28.445 -28.177 1.00 0.00 O ATOM 16525 O5* U B 769 31.283 -26.636 -29.900 1.00 0.00 O ATOM 16526 C5* U B 769 30.783 -26.152 -31.161 1.00 0.00 C ATOM 16527 C4* U B 769 30.913 -24.645 -31.227 1.00 0.00 C ATOM 16528 O4* U B 769 30.000 -24.050 -30.266 1.00 0.00 O ATOM 16529 C3* U B 769 32.281 -24.076 -30.838 1.00 0.00 C ATOM 16530 O3* U B 769 33.167 -24.094 -31.912 1.00 0.00 O ATOM 16531 C2* U B 769 31.920 -22.660 -30.394 1.00 0.00 C ATOM 16532 O2* U B 769 31.671 -21.829 -31.517 1.00 0.00 O ATOM 16533 C1* U B 769 30.580 -22.885 -29.704 1.00 0.00 C ATOM 16534 N1 U B 769 30.692 -23.086 -28.234 1.00 0.00 N ATOM 16535 C2 U B 769 30.964 -21.976 -27.466 1.00 0.00 C ATOM 16536 O2 U B 769 31.113 -20.865 -27.940 1.00 0.00 O ATOM 16537 N3 U B 769 31.060 -22.203 -26.107 1.00 0.00 N ATOM 16538 C4 U B 769 30.911 -23.418 -25.467 1.00 0.00 C ATOM 16539 O4 U B 769 31.020 -23.497 -24.240 1.00 0.00 O ATOM 16540 C5 U B 769 30.629 -24.522 -26.353 1.00 0.00 C ATOM 16541 C6 U B 769 30.529 -24.329 -27.678 1.00 0.00 C ATOM 16542 P G B 770 34.752 -24.347 -31.615 1.00 0.00 P ATOM 16543 O1P G B 770 35.459 -24.696 -32.867 1.00 0.00 O ATOM 16544 O2P G B 770 34.898 -25.313 -30.504 1.00 0.00 O ATOM 16545 O5* G B 770 35.201 -22.890 -31.127 1.00 0.00 O ATOM 16546 C5* G B 770 35.057 -21.778 -32.028 1.00 0.00 C ATOM 16547 C4* G B 770 35.423 -20.487 -31.323 1.00 0.00 C ATOM 16548 O4* G B 770 34.427 -20.213 -30.297 1.00 0.00 O ATOM 16549 C3* G B 770 36.746 -20.500 -30.555 1.00 0.00 C ATOM 16550 O3* G B 770 37.826 -20.226 -31.391 1.00 0.00 O ATOM 16551 C2* G B 770 36.518 -19.409 -29.510 1.00 0.00 C ATOM 16552 O2* G B 770 36.641 -18.124 -30.093 1.00 0.00 O ATOM 16553 C1* G B 770 35.046 -19.610 -29.174 1.00 0.00 C ATOM 16554 N9 G B 770 34.817 -20.491 -27.995 1.00 0.00 N ATOM 16555 C8 G B 770 34.362 -21.792 -27.954 1.00 0.00 C ATOM 16556 N7 G B 770 34.270 -22.286 -26.744 1.00 0.00 N ATOM 16557 C5 G B 770 34.694 -21.240 -25.922 1.00 0.00 C ATOM 16558 C6 G B 770 34.809 -21.176 -24.512 1.00 0.00 C ATOM 16559 O6 G B 770 34.560 -22.044 -23.676 1.00 0.00 O ATOM 16560 N1 G B 770 35.276 -19.924 -24.092 1.00 0.00 N ATOM 16561 C2 G B 770 35.592 -18.868 -24.930 1.00 0.00 C ATOM 16562 N2 G B 770 36.021 -17.755 -24.333 1.00 0.00 N ATOM 16563 N3 G B 770 35.481 -18.931 -26.253 1.00 0.00 N ATOM 16564 C4 G B 770 35.027 -20.141 -26.677 1.00 0.00 C ATOM 16565 P G B 771 39.256 -20.949 -31.089 1.00 0.00 P ATOM 16566 O1P G B 771 40.150 -20.832 -32.267 1.00 0.00 O ATOM 16567 O2P G B 771 39.021 -22.325 -30.597 1.00 0.00 O ATOM 16568 O5* G B 771 39.808 -20.034 -29.898 1.00 0.00 O ATOM 16569 C5* G B 771 40.026 -18.632 -30.137 1.00 0.00 C ATOM 16570 C4* G B 771 40.424 -17.942 -28.849 1.00 0.00 C ATOM 16571 O4* G B 771 39.289 -17.946 -27.939 1.00 0.00 O ATOM 16572 C3* G B 771 41.541 -18.615 -28.051 1.00 0.00 C ATOM 16573 O3* G B 771 42.801 -18.246 -28.518 1.00 0.00 O ATOM 16574 C2* G B 771 41.267 -18.115 -26.635 1.00 0.00 C ATOM 16575 O2* G B 771 41.698 -16.772 -26.484 1.00 0.00 O ATOM 16576 C1* G B 771 39.745 -18.098 -26.602 1.00 0.00 C ATOM 16577 N9 G B 771 39.142 -19.344 -26.051 1.00 0.00 N ATOM 16578 C8 G B 771 38.500 -20.368 -26.709 1.00 0.00 C ATOM 16579 N7 G B 771 38.082 -21.331 -25.925 1.00 0.00 N ATOM 16580 C5 G B 771 38.476 -20.915 -24.652 1.00 0.00 C ATOM 16581 C6 G B 771 38.302 -21.541 -23.391 1.00 0.00 C ATOM 16582 O6 G B 771 37.758 -22.611 -23.133 1.00 0.00 O ATOM 16583 N1 G B 771 38.855 -20.773 -22.359 1.00 0.00 N ATOM 16584 C2 G B 771 39.493 -19.558 -22.521 1.00 0.00 C ATOM 16585 N2 G B 771 39.951 -18.983 -21.408 1.00 0.00 N ATOM 16586 N3 G B 771 39.654 -18.971 -23.705 1.00 0.00 N ATOM 16587 C4 G B 771 39.123 -19.704 -24.720 1.00 0.00 C ATOM 16588 P C B 772 44.012 -19.338 -28.459 1.00 0.00 P ATOM 16589 O1P C B 772 45.137 -18.901 -29.315 1.00 0.00 O ATOM 16590 O2P C B 772 43.473 -20.687 -28.743 1.00 0.00 O ATOM 16591 O5* C B 772 44.435 -19.237 -26.919 1.00 0.00 O ATOM 16592 C5* C B 772 44.903 -17.978 -26.405 1.00 0.00 C ATOM 16593 C4* C B 772 45.125 -18.077 -24.909 1.00 0.00 C ATOM 16594 O4* C B 772 43.835 -18.240 -24.252 1.00 0.00 O ATOM 16595 C3* C B 772 45.933 -19.285 -24.434 1.00 0.00 C ATOM 16596 O3* C B 772 47.303 -19.046 -24.514 1.00 0.00 O ATOM 16597 C2* C B 772 45.448 -19.449 -22.994 1.00 0.00 C ATOM 16598 O2* C B 772 46.034 -18.472 -22.153 1.00 0.00 O ATOM 16599 C1* C B 772 43.969 -19.092 -23.126 1.00 0.00 C ATOM 16600 N1 C B 772 43.088 -20.272 -23.335 1.00 0.00 N ATOM 16601 C2 C B 772 42.841 -21.099 -22.240 1.00 0.00 C ATOM 16602 O2 C B 772 43.358 -20.820 -21.155 1.00 0.00 O ATOM 16603 N3 C B 772 42.038 -22.179 -22.410 1.00 0.00 N ATOM 16604 C4 C B 772 41.492 -22.447 -23.603 1.00 0.00 C ATOM 16605 N4 C B 772 40.715 -23.515 -23.716 1.00 0.00 N ATOM 16606 C5 C B 772 41.735 -21.611 -24.740 1.00 0.00 C ATOM 16607 C6 C B 772 42.541 -20.534 -24.551 1.00 0.00 C ATOM 16608 P U B 773 48.296 -20.291 -24.871 1.00 0.00 P ATOM 16609 O1P U B 773 49.630 -19.782 -25.271 1.00 0.00 O ATOM 16610 O2P U B 773 47.634 -21.187 -25.846 1.00 0.00 O ATOM 16611 O5* U B 773 48.396 -21.014 -23.450 1.00 0.00 O ATOM 16612 C5* U B 773 48.934 -20.286 -22.330 1.00 0.00 C ATOM 16613 C4* U B 773 48.819 -21.114 -21.066 1.00 0.00 C ATOM 16614 O4* U B 773 47.412 -21.255 -20.723 1.00 0.00 O ATOM 16615 C3* U B 773 49.320 -22.557 -21.170 1.00 0.00 C ATOM 16616 O3* U B 773 50.697 -22.633 -20.969 1.00 0.00 O ATOM 16617 C2* U B 773 48.526 -23.250 -20.064 1.00 0.00 C ATOM 16618 O2* U B 773 49.063 -22.942 -18.791 1.00 0.00 O ATOM 16619 C1* U B 773 47.178 -22.540 -20.163 1.00 0.00 C ATOM 16620 N1 U B 773 46.190 -23.246 -21.024 1.00 0.00 N ATOM 16621 C2 U B 773 45.615 -24.384 -20.512 1.00 0.00 C ATOM 16622 O2 U B 773 45.882 -24.821 -19.404 1.00 0.00 O ATOM 16623 N3 U B 773 44.705 -25.011 -21.338 1.00 0.00 N ATOM 16624 C4 U B 773 44.330 -24.607 -22.605 1.00 0.00 C ATOM 16625 O4 U B 773 43.502 -25.252 -23.250 1.00 0.00 O ATOM 16626 C5 U B 773 44.988 -23.401 -23.055 1.00 0.00 C ATOM 16627 C6 U B 773 45.879 -22.773 -22.271 1.00 0.00 C ATOM 16628 P G B 774 51.545 -23.764 -21.789 1.00 0.00 P ATOM 16629 O1P G B 774 52.991 -23.458 -21.736 1.00 0.00 O ATOM 16630 O2P G B 774 50.972 -23.924 -23.146 1.00 0.00 O ATOM 16631 O5* G B 774 51.235 -25.066 -20.911 1.00 0.00 O ATOM 16632 C5* G B 774 51.627 -25.086 -19.530 1.00 0.00 C ATOM 16633 C4* G B 774 51.127 -26.353 -18.865 1.00 0.00 C ATOM 16634 O4* G B 774 49.675 -26.304 -18.792 1.00 0.00 O ATOM 16635 C3* G B 774 51.418 -27.656 -19.613 1.00 0.00 C ATOM 16636 O3* G B 774 52.694 -28.135 -19.329 1.00 0.00 O ATOM 16637 C2* G B 774 50.313 -28.576 -19.091 1.00 0.00 C ATOM 16638 O2* G B 774 50.612 -29.026 -17.782 1.00 0.00 O ATOM 16639 C1* G B 774 49.139 -27.607 -18.970 1.00 0.00 C ATOM 16640 N9 G B 774 48.260 -27.583 -20.171 1.00 0.00 N ATOM 16641 C8 G B 774 48.149 -26.620 -21.151 1.00 0.00 C ATOM 16642 N7 G B 774 47.271 -26.904 -22.082 1.00 0.00 N ATOM 16643 C5 G B 774 46.761 -28.142 -21.692 1.00 0.00 C ATOM 16644 C6 G B 774 45.778 -28.959 -22.303 1.00 0.00 C ATOM 16645 O6 G B 774 45.140 -28.755 -23.333 1.00 0.00 O ATOM 16646 N1 G B 774 45.561 -30.136 -21.571 1.00 0.00 N ATOM 16647 C2 G B 774 46.213 -30.478 -20.404 1.00 0.00 C ATOM 16648 N2 G B 774 45.869 -31.647 -19.858 1.00 0.00 N ATOM 16649 N3 G B 774 47.138 -29.711 -19.831 1.00 0.00 N ATOM 16650 C4 G B 774 47.359 -28.563 -20.526 1.00 0.00 C ATOM 16651 P G B 775 53.516 -28.919 -20.503 1.00 0.00 P ATOM 16652 O1P G B 775 54.948 -29.019 -20.147 1.00 0.00 O ATOM 16653 O2P G B 775 53.219 -28.296 -21.812 1.00 0.00 O ATOM 16654 O5* G B 775 52.839 -30.367 -20.429 1.00 0.00 O ATOM 16655 C5* G B 775 52.925 -31.117 -19.205 1.00 0.00 C ATOM 16656 C4* G B 775 52.113 -32.391 -19.315 1.00 0.00 C ATOM 16657 O4* G B 775 50.698 -32.043 -19.387 1.00 0.00 O ATOM 16658 C3* G B 775 52.350 -33.227 -20.573 1.00 0.00 C ATOM 16659 O3* G B 775 53.452 -34.064 -20.427 1.00 0.00 O ATOM 16660 C2* G B 775 51.039 -33.994 -20.701 1.00 0.00 C ATOM 16661 O2* G B 775 50.984 -35.057 -19.765 1.00 0.00 O ATOM 16662 C1* G B 775 50.025 -32.949 -20.246 1.00 0.00 C ATOM 16663 N9 G B 775 49.429 -32.167 -21.362 1.00 0.00 N ATOM 16664 C8 G B 775 49.671 -30.864 -21.741 1.00 0.00 C ATOM 16665 N7 G B 775 48.973 -30.471 -22.781 1.00 0.00 N ATOM 16666 C5 G B 775 48.216 -31.592 -23.114 1.00 0.00 C ATOM 16667 C6 G B 775 47.269 -31.778 -24.154 1.00 0.00 C ATOM 16668 O6 G B 775 46.897 -30.978 -25.011 1.00 0.00 O ATOM 16669 N1 G B 775 46.731 -33.073 -24.132 1.00 0.00 N ATOM 16670 C2 G B 775 47.065 -34.059 -23.223 1.00 0.00 C ATOM 16671 N2 G B 775 46.440 -35.228 -23.372 1.00 0.00 N ATOM 16672 N3 G B 775 47.954 -33.883 -22.248 1.00 0.00 N ATOM 16673 C4 G B 775 48.484 -32.631 -22.255 1.00 0.00 C ATOM 16674 P G B 776 54.482 -33.621 -18.826 1.00 0.00 P ATOM 16675 O1P G B 776 55.094 -34.942 -18.558 1.00 0.00 O ATOM 16676 O2P G B 776 53.662 -33.058 -17.728 1.00 0.00 O ATOM 16677 O5* G B 776 55.747 -32.183 -19.102 1.00 0.00 O ATOM 16678 C5* G B 776 57.041 -31.238 -19.000 1.00 0.00 C ATOM 16679 C4* G B 776 57.085 -29.530 -18.518 1.00 0.00 C ATOM 16680 O4* G B 776 55.675 -29.594 -18.172 1.00 0.00 O ATOM 16681 C3* G B 776 57.742 -28.900 -17.288 1.00 0.00 C ATOM 16682 O3* G B 776 59.121 -27.994 -17.154 1.00 0.00 O ATOM 16683 C2* G B 776 56.676 -27.901 -16.838 1.00 0.00 C ATOM 16684 O2* G B 776 56.671 -26.756 -17.677 1.00 0.00 O ATOM 16685 C1* G B 776 55.391 -28.667 -17.134 1.00 0.00 C ATOM 16686 N9 G B 776 54.752 -29.531 -15.803 1.00 0.00 N ATOM 16687 C8 G B 776 54.862 -30.869 -15.505 1.00 0.00 C ATOM 16688 N7 G B 776 54.137 -31.250 -14.482 1.00 0.00 N ATOM 16689 C5 G B 776 53.503 -30.074 -14.069 1.00 0.00 C ATOM 16690 C6 G B 776 52.597 -29.853 -12.999 1.00 0.00 C ATOM 16691 O6 G B 776 52.154 -30.659 -12.187 1.00 0.00 O ATOM 16692 N1 G B 776 52.203 -28.510 -12.935 1.00 0.00 N ATOM 16693 C2 G B 776 52.630 -27.510 -13.791 1.00 0.00 C ATOM 16694 N2 G B 776 52.138 -26.294 -13.562 1.00 0.00 N ATOM 16695 N3 G B 776 53.484 -27.720 -14.789 1.00 0.00 N ATOM 16696 C4 G B 776 53.875 -29.020 -14.867 1.00 0.00 C ATOM 16697 P G B 777 60.313 -26.918 -18.153 1.00 0.00 P ATOM 16698 O1P G B 777 61.636 -27.324 -17.633 1.00 0.00 O ATOM 16699 O2P G B 777 60.133 -25.469 -18.395 1.00 0.00 O ATOM 16700 O5* G B 777 59.983 -27.734 -19.491 1.00 0.00 O ATOM 16701 C5* G B 777 60.305 -29.135 -19.549 1.00 0.00 C ATOM 16702 C4* G B 777 59.798 -29.730 -20.848 1.00 0.00 C ATOM 16703 O4* G B 777 58.339 -29.727 -20.830 1.00 0.00 O ATOM 16704 C3* G B 777 60.151 -28.956 -22.119 1.00 0.00 C ATOM 16705 O3* G B 777 61.419 -29.289 -22.584 1.00 0.00 O ATOM 16706 C2* G B 777 59.040 -29.387 -23.074 1.00 0.00 C ATOM 16707 O2* G B 777 59.279 -30.693 -23.566 1.00 0.00 O ATOM 16708 C1* G B 777 57.842 -29.477 -22.136 1.00 0.00 C ATOM 16709 N9 G B 777 57.025 -28.232 -22.085 1.00 0.00 N ATOM 16710 C8 G B 777 56.948 -27.281 -21.091 1.00 0.00 C ATOM 16711 N7 G B 777 56.125 -26.298 -21.360 1.00 0.00 N ATOM 16712 C5 G B 777 55.620 -26.619 -22.620 1.00 0.00 C ATOM 16713 C6 G B 777 54.685 -25.930 -23.434 1.00 0.00 C ATOM 16714 O6 G B 777 54.096 -24.876 -23.208 1.00 0.00 O ATOM 16715 N1 G B 777 54.456 -26.610 -24.638 1.00 0.00 N ATOM 16716 C2 G B 777 55.053 -27.798 -25.006 1.00 0.00 C ATOM 16717 N2 G B 777 54.703 -28.288 -26.202 1.00 0.00 N ATOM 16718 N3 G B 777 55.933 -28.445 -24.244 1.00 0.00 N ATOM 16719 C4 G B 777 56.166 -27.800 -23.069 1.00 0.00 C ATOM 16720 P G B 778 62.317 -28.136 -23.314 1.00 0.00 P ATOM 16721 O1P G B 778 63.731 -28.563 -23.400 1.00 0.00 O ATOM 16722 O2P G B 778 62.077 -26.834 -22.650 1.00 0.00 O ATOM 16723 O5* G B 778 61.664 -28.127 -24.774 1.00 0.00 O ATOM 16724 C5* G B 778 61.703 -29.330 -25.565 1.00 0.00 C ATOM 16725 C4* G B 778 60.924 -29.134 -26.849 1.00 0.00 C ATOM 16726 O4* G B 778 59.508 -28.998 -26.523 1.00 0.00 O ATOM 16727 C3* G B 778 61.243 -27.861 -27.634 1.00 0.00 C ATOM 16728 O3* G B 778 62.355 -28.036 -28.457 1.00 0.00 O ATOM 16729 C2* G B 778 59.956 -27.639 -28.424 1.00 0.00 C ATOM 16730 O2* G B 778 59.874 -28.535 -29.518 1.00 0.00 O ATOM 16731 C1* G B 778 58.899 -28.075 -27.413 1.00 0.00 C ATOM 16732 N9 G B 778 58.348 -26.954 -26.603 1.00 0.00 N ATOM 16733 C8 G B 778 58.581 -26.633 -25.285 1.00 0.00 C ATOM 16734 N7 G B 778 57.931 -25.572 -24.869 1.00 0.00 N ATOM 16735 C5 G B 778 57.215 -25.162 -25.993 1.00 0.00 C ATOM 16736 C6 G B 778 56.327 -24.068 -26.160 1.00 0.00 C ATOM 16737 O6 G B 778 55.983 -23.221 -25.339 1.00 0.00 O ATOM 16738 N1 G B 778 55.816 -24.021 -27.465 1.00 0.00 N ATOM 16739 C2 G B 778 56.121 -24.912 -28.473 1.00 0.00 C ATOM 16740 N2 G B 778 55.529 -24.691 -29.649 1.00 0.00 N ATOM 16741 N3 G B 778 56.954 -25.936 -28.317 1.00 0.00 N ATOM 16742 C4 G B 778 57.460 -26.000 -27.055 1.00 0.00 C ATOM 16743 P U B 779 63.520 -26.720 -27.882 1.00 0.00 P ATOM 16744 O1P U B 779 64.503 -26.341 -28.918 1.00 0.00 O ATOM 16745 O2P U B 779 64.077 -27.077 -26.560 1.00 0.00 O ATOM 16746 O5* U B 779 62.193 -25.464 -27.690 1.00 0.00 O ATOM 16747 C5* U B 779 61.146 -24.551 -27.238 1.00 0.00 C ATOM 16748 C4* U B 779 60.987 -24.480 -25.611 1.00 0.00 C ATOM 16749 O4* U B 779 62.216 -24.833 -24.917 1.00 0.00 O ATOM 16750 C3* U B 779 60.406 -23.333 -24.775 1.00 0.00 C ATOM 16751 O3* U B 779 59.349 -22.277 -25.057 1.00 0.00 O ATOM 16752 C2* U B 779 60.785 -23.753 -23.355 1.00 0.00 C ATOM 16753 O2* U B 779 59.932 -24.790 -22.893 1.00 0.00 O ATOM 16754 C1* U B 779 62.157 -24.376 -23.575 1.00 0.00 C ATOM 16755 N1 U B 779 63.439 -23.342 -23.317 1.00 0.00 N ATOM 16756 C2 U B 779 63.458 -22.651 -22.128 1.00 0.00 C ATOM 16757 O2 U B 779 62.576 -22.750 -21.292 1.00 0.00 O ATOM 16758 N3 U B 779 64.546 -21.823 -21.939 1.00 0.00 N ATOM 16759 C4 U B 779 65.596 -21.635 -22.820 1.00 0.00 C ATOM 16760 O4 U B 779 66.517 -20.865 -22.542 1.00 0.00 O ATOM 16761 C5 U B 779 65.489 -22.403 -24.037 1.00 0.00 C ATOM 16762 C6 U B 779 64.443 -23.216 -24.246 1.00 0.00 C ATOM 16763 P G B 780 59.681 -20.714 -24.138 1.00 0.00 P ATOM 16764 O1P G B 780 61.090 -20.295 -24.324 1.00 0.00 O ATOM 16765 O2P G B 780 59.202 -20.756 -22.743 1.00 0.00 O ATOM 16766 O5* G B 780 58.538 -19.756 -25.185 1.00 0.00 O ATOM 16767 C5* G B 780 57.435 -18.830 -25.154 1.00 0.00 C ATOM 16768 C4* G B 780 56.396 -19.124 -23.949 1.00 0.00 C ATOM 16769 O4* G B 780 56.761 -19.654 -22.641 1.00 0.00 O ATOM 16770 C3* G B 780 54.871 -19.000 -23.881 1.00 0.00 C ATOM 16771 O3* G B 780 54.103 -18.553 -25.128 1.00 0.00 O ATOM 16772 C2* G B 780 54.490 -20.218 -23.044 1.00 0.00 C ATOM 16773 O2* G B 780 54.558 -21.404 -23.817 1.00 0.00 O ATOM 16774 C1* G B 780 55.637 -20.277 -22.041 1.00 0.00 C ATOM 16775 N9 G B 780 55.322 -19.499 -20.553 1.00 0.00 N ATOM 16776 C8 G B 780 56.205 -19.144 -19.550 1.00 0.00 C ATOM 16777 N7 G B 780 55.624 -18.675 -18.473 1.00 0.00 N ATOM 16778 C5 G B 780 54.265 -18.721 -18.779 1.00 0.00 C ATOM 16779 C6 G B 780 53.135 -18.346 -18.005 1.00 0.00 C ATOM 16780 O6 G B 780 53.106 -17.885 -16.869 1.00 0.00 O ATOM 16781 N1 G B 780 51.942 -18.561 -18.702 1.00 0.00 N ATOM 16782 C2 G B 780 51.843 -19.076 -19.978 1.00 0.00 C ATOM 16783 N2 G B 780 50.608 -19.201 -20.469 1.00 0.00 N ATOM 16784 N3 G B 780 52.902 -19.427 -20.708 1.00 0.00 N ATOM 16785 C4 G B 780 54.071 -19.225 -20.042 1.00 0.00 C ATOM 16786 P A B 781 52.496 -17.698 -24.869 1.00 0.00 P ATOM 16787 O1P A B 781 52.075 -17.760 -23.452 1.00 0.00 O ATOM 16788 O2P A B 781 51.496 -18.143 -25.860 1.00 0.00 O ATOM 16789 O5* A B 781 53.090 -16.048 -25.396 1.00 0.00 O ATOM 16790 C5* A B 781 53.507 -15.671 -26.720 1.00 0.00 C ATOM 16791 C4* A B 781 52.531 -14.734 -27.714 1.00 0.00 C ATOM 16792 O4* A B 781 51.784 -15.327 -28.813 1.00 0.00 O ATOM 16793 C3* A B 781 53.014 -13.396 -28.285 1.00 0.00 C ATOM 16794 O3* A B 781 54.074 -12.641 -27.488 1.00 0.00 O ATOM 16795 C2* A B 781 53.305 -13.758 -29.739 1.00 0.00 C ATOM 16796 O2* A B 781 54.526 -14.475 -29.846 1.00 0.00 O ATOM 16797 C1* A B 781 52.181 -14.745 -30.045 1.00 0.00 C ATOM 16798 N9 A B 781 50.837 -14.068 -30.764 1.00 0.00 N ATOM 16799 C8 A B 781 49.513 -14.399 -30.586 1.00 0.00 C ATOM 16800 N7 A B 781 48.685 -13.584 -31.155 1.00 0.00 N ATOM 16801 C5 A B 781 49.503 -12.641 -31.760 1.00 0.00 C ATOM 16802 C6 A B 781 49.227 -11.501 -32.527 1.00 0.00 C ATOM 16803 N6 A B 781 47.986 -11.100 -32.836 1.00 0.00 N ATOM 16804 N1 A B 781 50.277 -10.782 -32.974 1.00 0.00 N ATOM 16805 C2 A B 781 51.506 -11.187 -32.665 1.00 0.00 C ATOM 16806 N3 A B 781 51.884 -12.229 -31.956 1.00 0.00 N ATOM 16807 C4 A B 781 50.815 -12.927 -31.525 1.00 0.00 C ATOM 16808 P A B 782 55.270 -11.530 -28.325 1.00 0.00 P ATOM 16809 O1P A B 782 55.504 -11.851 -29.748 1.00 0.00 O ATOM 16810 O2P A B 782 56.480 -11.427 -27.477 1.00 0.00 O ATOM 16811 O5* A B 782 54.198 -10.059 -28.204 1.00 0.00 O ATOM 16812 C5* A B 782 53.250 -9.176 -27.617 1.00 0.00 C ATOM 16813 C4* A B 782 52.902 -7.760 -28.326 1.00 0.00 C ATOM 16814 O4* A B 782 51.976 -7.903 -29.444 1.00 0.00 O ATOM 16815 C3* A B 782 52.415 -6.506 -27.596 1.00 0.00 C ATOM 16816 O3* A B 782 52.025 -6.315 -26.116 1.00 0.00 O ATOM 16817 C2* A B 782 51.950 -5.628 -28.756 1.00 0.00 C ATOM 16818 O2* A B 782 53.057 -5.049 -29.422 1.00 0.00 O ATOM 16819 C1* A B 782 51.347 -6.659 -29.703 1.00 0.00 C ATOM 16820 N9 A B 782 49.683 -6.865 -29.550 1.00 0.00 N ATOM 16821 C8 A B 782 48.949 -8.021 -29.677 1.00 0.00 C ATOM 16822 N7 A B 782 47.689 -7.878 -29.399 1.00 0.00 N ATOM 16823 C5 A B 782 47.575 -6.534 -29.070 1.00 0.00 C ATOM 16824 C6 A B 782 46.480 -5.747 -28.674 1.00 0.00 C ATOM 16825 N6 A B 782 45.232 -6.223 -28.541 1.00 0.00 N ATOM 16826 N1 A B 782 46.710 -4.447 -28.415 1.00 0.00 N ATOM 16827 C2 A B 782 47.949 -3.976 -28.544 1.00 0.00 C ATOM 16828 N3 A B 782 49.048 -4.616 -28.904 1.00 0.00 N ATOM 16829 C4 A B 782 48.786 -5.912 -29.157 1.00 0.00 C ATOM 16830 P A B 783 52.518 -4.793 -25.197 1.00 0.00 P ATOM 16831 O1P A B 783 52.211 -3.568 -25.967 1.00 0.00 O ATOM 16832 O2P A B 783 53.916 -4.917 -24.714 1.00 0.00 O ATOM 16833 O5* A B 783 51.330 -4.963 -23.796 1.00 0.00 O ATOM 16834 C5* A B 783 50.219 -5.363 -22.931 1.00 0.00 C ATOM 16835 C4* A B 783 49.522 -6.699 -23.591 1.00 0.00 C ATOM 16836 O4* A B 783 50.286 -6.963 -24.808 1.00 0.00 O ATOM 16837 C3* A B 783 49.421 -8.070 -22.923 1.00 0.00 C ATOM 16838 O3* A B 783 50.055 -8.652 -21.634 1.00 0.00 O ATOM 16839 C2* A B 783 49.284 -9.003 -24.123 1.00 0.00 C ATOM 16840 O2* A B 783 47.974 -8.943 -24.657 1.00 0.00 O ATOM 16841 C1* A B 783 50.210 -8.335 -25.136 1.00 0.00 C ATOM 16842 N9 A B 783 51.789 -8.963 -25.175 1.00 0.00 N ATOM 16843 C8 A B 783 52.981 -8.292 -25.011 1.00 0.00 C ATOM 16844 N7 A B 783 54.013 -9.069 -24.916 1.00 0.00 N ATOM 16845 C5 A B 783 53.487 -10.346 -25.020 1.00 0.00 C ATOM 16846 C6 A B 783 54.072 -11.618 -24.994 1.00 0.00 C ATOM 16847 N6 A B 783 55.389 -11.823 -24.846 1.00 0.00 N ATOM 16848 N1 A B 783 53.256 -12.682 -25.126 1.00 0.00 N ATOM 16849 C2 A B 783 51.950 -12.475 -25.273 1.00 0.00 C ATOM 16850 N3 A B 783 51.288 -11.337 -25.314 1.00 0.00 N ATOM 16851 C4 A B 783 52.130 -10.289 -25.178 1.00 0.00 C ATOM 16852 P G B 784 50.943 -10.262 -21.888 1.00 0.00 P ATOM 16853 O1P G B 784 50.990 -11.046 -20.634 1.00 0.00 O ATOM 16854 O2P G B 784 52.253 -9.992 -22.530 1.00 0.00 O ATOM 16855 O5* G B 784 49.773 -11.075 -23.064 1.00 0.00 O ATOM 16856 C5* G B 784 49.089 -11.298 -24.343 1.00 0.00 C ATOM 16857 C4* G B 784 48.777 -12.828 -24.836 1.00 0.00 C ATOM 16858 O4* G B 784 49.822 -13.775 -24.467 1.00 0.00 O ATOM 16859 C3* G B 784 47.494 -13.464 -24.295 1.00 0.00 C ATOM 16860 O3* G B 784 46.280 -12.818 -25.044 1.00 0.00 O ATOM 16861 C2* G B 784 47.758 -14.949 -24.520 1.00 0.00 C ATOM 16862 O2* G B 784 47.591 -15.295 -25.882 1.00 0.00 O ATOM 16863 C1* G B 784 49.250 -15.051 -24.220 1.00 0.00 C ATOM 16864 N9 G B 784 49.627 -15.509 -22.602 1.00 0.00 N ATOM 16865 C8 G B 784 50.854 -15.587 -21.985 1.00 0.00 C ATOM 16866 N7 G B 784 50.801 -15.999 -20.738 1.00 0.00 N ATOM 16867 C5 G B 784 49.435 -16.204 -20.519 1.00 0.00 C ATOM 16868 C6 G B 784 48.757 -16.652 -19.352 1.00 0.00 C ATOM 16869 O6 G B 784 49.224 -16.962 -18.262 1.00 0.00 O ATOM 16870 N1 G B 784 47.371 -16.721 -19.566 1.00 0.00 N ATOM 16871 C2 G B 784 46.728 -16.402 -20.745 1.00 0.00 C ATOM 16872 N2 G B 784 45.403 -16.536 -20.743 1.00 0.00 N ATOM 16873 N3 G B 784 47.369 -15.983 -21.834 1.00 0.00 N ATOM 16874 C4 G B 784 48.714 -15.910 -21.650 1.00 0.00 C ATOM 16875 P G B 785 45.290 -13.670 -26.364 1.00 0.00 P ATOM 16876 O1P G B 785 44.104 -12.844 -26.673 1.00 0.00 O ATOM 16877 O2P G B 785 45.018 -15.076 -25.988 1.00 0.00 O ATOM 16878 O5* G B 785 46.462 -13.585 -27.790 1.00 0.00 O ATOM 16879 C5* G B 785 46.664 -13.340 -29.225 1.00 0.00 C ATOM 16880 C4* G B 785 46.352 -14.552 -30.280 1.00 0.00 C ATOM 16881 O4* G B 785 45.787 -14.339 -31.604 1.00 0.00 O ATOM 16882 C3* G B 785 47.179 -15.830 -30.437 1.00 0.00 C ATOM 16883 O3* G B 785 47.434 -16.453 -29.065 1.00 0.00 O ATOM 16884 C2* G B 785 46.328 -16.644 -31.410 1.00 0.00 C ATOM 16885 O2* G B 785 45.207 -17.208 -30.752 1.00 0.00 O ATOM 16886 C1* G B 785 45.792 -15.556 -32.335 1.00 0.00 C ATOM 16887 N9 G B 785 46.712 -15.320 -33.778 1.00 0.00 N ATOM 16888 C8 G B 785 47.950 -15.827 -34.114 1.00 0.00 C ATOM 16889 N7 G B 785 48.326 -15.547 -35.336 1.00 0.00 N ATOM 16890 C5 G B 785 47.267 -14.798 -35.849 1.00 0.00 C ATOM 16891 C6 G B 785 47.095 -14.211 -37.127 1.00 0.00 C ATOM 16892 O6 G B 785 47.857 -14.230 -38.089 1.00 0.00 O ATOM 16893 N1 G B 785 45.869 -13.542 -37.224 1.00 0.00 N ATOM 16894 C2 G B 785 44.931 -13.447 -36.211 1.00 0.00 C ATOM 16895 N2 G B 785 43.822 -12.763 -36.502 1.00 0.00 N ATOM 16896 N3 G B 785 45.092 -14.003 -35.013 1.00 0.00 N ATOM 16897 C4 G B 785 46.276 -14.655 -34.905 1.00 0.00 C ATOM 16898 P C B 786 48.889 -17.108 -28.089 1.00 0.00 P ATOM 16899 O1P C B 786 47.944 -17.502 -27.019 1.00 0.00 O ATOM 16900 O2P C B 786 50.097 -16.379 -27.645 1.00 0.00 O ATOM 16901 O5* C B 786 49.314 -18.395 -28.939 1.00 0.00 O ATOM 16902 C5* C B 786 49.055 -18.411 -30.355 1.00 0.00 C ATOM 16903 C4* C B 786 49.646 -19.664 -30.975 1.00 0.00 C ATOM 16904 O4* C B 786 51.098 -19.582 -30.904 1.00 0.00 O ATOM 16905 C3* C B 786 49.316 -20.979 -30.263 1.00 0.00 C ATOM 16906 O3* C B 786 48.087 -21.485 -30.670 1.00 0.00 O ATOM 16907 C2* C B 786 50.487 -21.867 -30.681 1.00 0.00 C ATOM 16908 O2* C B 786 50.327 -22.315 -32.013 1.00 0.00 O ATOM 16909 C1* C B 786 51.645 -20.874 -30.683 1.00 0.00 C ATOM 16910 N1 C B 786 52.405 -20.837 -29.403 1.00 0.00 N ATOM 16911 C2 C B 786 53.258 -21.901 -29.123 1.00 0.00 C ATOM 16912 O2 C B 786 53.347 -22.823 -29.942 1.00 0.00 O ATOM 16913 N3 C B 786 53.959 -21.887 -27.962 1.00 0.00 N ATOM 16914 C4 C B 786 53.832 -20.870 -27.099 1.00 0.00 C ATOM 16915 N4 C B 786 54.539 -20.903 -25.981 1.00 0.00 N ATOM 16916 C5 C B 786 52.961 -19.766 -27.367 1.00 0.00 C ATOM 16917 C6 C B 786 52.269 -19.797 -28.535 1.00 0.00 C ATOM 16918 P C B 787 47.172 -22.297 -29.588 1.00 0.00 P ATOM 16919 O1P C B 787 45.783 -22.426 -30.082 1.00 0.00 O ATOM 16920 O2P C B 787 47.327 -21.676 -28.252 1.00 0.00 O ATOM 16921 O5* C B 787 47.891 -23.728 -29.603 1.00 0.00 O ATOM 16922 C5* C B 787 47.939 -24.470 -30.835 1.00 0.00 C ATOM 16923 C4* C B 787 48.766 -25.725 -30.654 1.00 0.00 C ATOM 16924 O4* C B 787 50.158 -25.348 -30.444 1.00 0.00 O ATOM 16925 C3* C B 787 48.426 -26.573 -29.426 1.00 0.00 C ATOM 16926 O3* C B 787 47.361 -27.439 -29.684 1.00 0.00 O ATOM 16927 C2* C B 787 49.738 -27.316 -29.177 1.00 0.00 C ATOM 16928 O2* C B 787 49.906 -28.367 -30.108 1.00 0.00 O ATOM 16929 C1* C B 787 50.765 -26.243 -29.529 1.00 0.00 C ATOM 16930 N1 C B 787 51.234 -25.455 -28.353 1.00 0.00 N ATOM 16931 C2 C B 787 52.108 -26.073 -27.463 1.00 0.00 C ATOM 16932 O2 C B 787 52.460 -27.239 -27.685 1.00 0.00 O ATOM 16933 N3 C B 787 52.545 -25.374 -26.387 1.00 0.00 N ATOM 16934 C4 C B 787 52.145 -24.110 -26.185 1.00 0.00 C ATOM 16935 N4 C B 787 52.598 -23.469 -25.118 1.00 0.00 N ATOM 16936 C5 C B 787 51.246 -23.457 -27.088 1.00 0.00 C ATOM 16937 C6 C B 787 50.818 -24.177 -28.156 1.00 0.00 C ATOM 16938 P A B 788 47.399 -28.742 -28.291 1.00 0.00 P ATOM 16939 O1P A B 788 46.650 -29.924 -28.776 1.00 0.00 O ATOM 16940 O2P A B 788 46.885 -28.109 -27.057 1.00 0.00 O ATOM 16941 O5* A B 788 49.190 -29.273 -27.968 1.00 0.00 O ATOM 16942 C5* A B 788 50.402 -29.381 -27.059 1.00 0.00 C ATOM 16943 C4* A B 788 51.761 -30.408 -27.125 1.00 0.00 C ATOM 16944 O4* A B 788 51.800 -31.717 -26.483 1.00 0.00 O ATOM 16945 C3* A B 788 53.231 -30.000 -27.226 1.00 0.00 C ATOM 16946 O3* A B 788 53.967 -30.209 -28.641 1.00 0.00 O ATOM 16947 C2* A B 788 53.810 -30.573 -25.934 1.00 0.00 C ATOM 16948 O2* A B 788 53.455 -29.762 -24.822 1.00 0.00 O ATOM 16949 C1* A B 788 53.038 -31.878 -25.795 1.00 0.00 C ATOM 16950 N9 A B 788 53.824 -33.230 -26.425 1.00 0.00 N ATOM 16951 C8 A B 788 53.362 -34.128 -27.362 1.00 0.00 C ATOM 16952 N7 A B 788 54.115 -35.172 -27.507 1.00 0.00 N ATOM 16953 C5 A B 788 55.156 -34.967 -26.605 1.00 0.00 C ATOM 16954 C6 A B 788 56.288 -35.721 -26.285 1.00 0.00 C ATOM 16955 N6 A B 788 56.588 -36.898 -26.858 1.00 0.00 N ATOM 16956 N1 A B 788 57.122 -35.224 -25.347 1.00 0.00 N ATOM 16957 C2 A B 788 56.822 -34.051 -24.785 1.00 0.00 C ATOM 16958 N3 A B 788 55.795 -33.261 -25.008 1.00 0.00 N ATOM 16959 C4 A B 788 54.985 -33.784 -25.948 1.00 0.00 C ATOM 16960 P A B 789 55.704 -29.700 -29.004 1.00 0.00 P ATOM 16961 O1P A B 789 56.388 -29.173 -27.801 1.00 0.00 O ATOM 16962 O2P A B 789 55.717 -28.826 -30.191 1.00 0.00 O ATOM 16963 O5* A B 789 56.397 -31.345 -29.467 1.00 0.00 O ATOM 16964 C5* A B 789 57.491 -32.292 -29.655 1.00 0.00 C ATOM 16965 C4* A B 789 58.510 -32.140 -30.936 1.00 0.00 C ATOM 16966 O4* A B 789 58.553 -30.896 -31.689 1.00 0.00 O ATOM 16967 C3* A B 789 59.961 -32.623 -30.930 1.00 0.00 C ATOM 16968 O3* A B 789 60.167 -34.144 -30.799 1.00 0.00 O ATOM 16969 C2* A B 789 60.448 -32.193 -32.308 1.00 0.00 C ATOM 16970 O2* A B 789 59.953 -33.070 -33.313 1.00 0.00 O ATOM 16971 C1* A B 789 59.722 -30.863 -32.495 1.00 0.00 C ATOM 16972 N9 A B 789 60.619 -29.510 -32.069 1.00 0.00 N ATOM 16973 C8 A B 789 61.799 -29.454 -31.359 1.00 0.00 C ATOM 16974 N7 A B 789 62.152 -28.254 -31.017 1.00 0.00 N ATOM 16975 C5 A B 789 61.146 -27.447 -31.531 1.00 0.00 C ATOM 16976 C6 A B 789 60.937 -26.061 -31.506 1.00 0.00 C ATOM 16977 N6 A B 789 61.779 -25.200 -30.909 1.00 0.00 N ATOM 16978 N1 A B 789 59.836 -25.584 -32.114 1.00 0.00 N ATOM 16979 C2 A B 789 59.004 -26.445 -32.701 1.00 0.00 C ATOM 16980 N3 A B 789 59.095 -27.753 -32.790 1.00 0.00 N ATOM 16981 C4 A B 789 60.211 -28.205 -32.172 1.00 0.00 C ATOM 16982 P U B 790 60.845 -34.825 -29.246 1.00 0.00 P ATOM 16983 O1P U B 790 61.044 -36.285 -29.373 1.00 0.00 O ATOM 16984 O2P U B 790 60.039 -34.385 -28.087 1.00 0.00 O ATOM 16985 O5* U B 790 62.449 -33.947 -29.355 1.00 0.00 O ATOM 16986 C5* U B 790 63.715 -33.616 -28.705 1.00 0.00 C ATOM 16987 C4* U B 790 63.537 -33.488 -27.078 1.00 0.00 C ATOM 16988 O4* U B 790 62.137 -33.679 -26.725 1.00 0.00 O ATOM 16989 C3* U B 790 64.292 -34.338 -26.060 1.00 0.00 C ATOM 16990 O3* U B 790 65.821 -34.158 -25.903 1.00 0.00 O ATOM 16991 C2* U B 790 63.437 -34.159 -24.802 1.00 0.00 C ATOM 16992 O2* U B 790 63.673 -32.894 -24.213 1.00 0.00 O ATOM 16993 C1* U B 790 62.033 -34.125 -25.387 1.00 0.00 C ATOM 16994 N1 U B 790 61.213 -35.648 -25.383 1.00 0.00 N ATOM 16995 C2 U B 790 61.987 -36.773 -25.225 1.00 0.00 C ATOM 16996 O2 U B 790 63.197 -36.741 -25.126 1.00 0.00 O ATOM 16997 N3 U B 790 61.288 -37.970 -25.188 1.00 0.00 N ATOM 16998 C4 U B 790 59.921 -38.123 -25.289 1.00 0.00 C ATOM 16999 O4 U B 790 59.409 -39.247 -25.247 1.00 0.00 O ATOM 17000 C5 U B 790 59.199 -36.888 -25.454 1.00 0.00 C ATOM 17001 C6 U B 790 59.853 -35.710 -25.497 1.00 0.00 C ATOM 17002 P C B 791 66.578 -34.006 -24.234 1.00 0.00 P ATOM 17003 O1P C B 791 66.312 -35.170 -23.361 1.00 0.00 O ATOM 17004 O2P C B 791 66.324 -32.680 -23.638 1.00 0.00 O ATOM 17005 O5* C B 791 68.266 -34.103 -24.916 1.00 0.00 O ATOM 17006 C5* C B 791 69.452 -33.880 -24.135 1.00 0.00 C ATOM 17007 C4* C B 791 70.507 -32.942 -24.911 1.00 0.00 C ATOM 17008 O4* C B 791 71.262 -33.607 -25.966 1.00 0.00 O ATOM 17009 C3* C B 791 70.170 -31.578 -25.511 1.00 0.00 C ATOM 17010 O3* C B 791 70.007 -30.649 -24.280 1.00 0.00 O ATOM 17011 C2* C B 791 71.420 -31.264 -26.324 1.00 0.00 C ATOM 17012 O2* C B 791 72.482 -30.855 -25.477 1.00 0.00 O ATOM 17013 C1* C B 791 71.790 -32.642 -26.863 1.00 0.00 C ATOM 17014 N1 C B 791 71.193 -32.981 -28.432 1.00 0.00 N ATOM 17015 C2 C B 791 72.108 -33.371 -29.402 1.00 0.00 C ATOM 17016 O2 C B 791 73.303 -33.460 -29.095 1.00 0.00 O ATOM 17017 N3 C B 791 71.656 -33.636 -30.657 1.00 0.00 N ATOM 17018 C4 C B 791 70.354 -33.527 -30.949 1.00 0.00 C ATOM 17019 N4 C B 791 69.968 -33.792 -32.193 1.00 0.00 N ATOM 17020 C5 C B 791 69.398 -33.125 -29.969 1.00 0.00 C ATOM 17021 C6 C B 791 69.870 -32.864 -28.720 1.00 0.00 C ATOM 17022 P A B 792 69.421 -28.907 -24.303 1.00 0.00 P ATOM 17023 O1P A B 792 69.996 -28.212 -23.129 1.00 0.00 O ATOM 17024 O2P A B 792 67.948 -28.874 -24.418 1.00 0.00 O ATOM 17025 O5* A B 792 70.231 -28.287 -25.836 1.00 0.00 O ATOM 17026 C5* A B 792 70.487 -27.035 -26.564 1.00 0.00 C ATOM 17027 C4* A B 792 69.275 -25.917 -26.479 1.00 0.00 C ATOM 17028 O4* A B 792 68.210 -26.369 -25.594 1.00 0.00 O ATOM 17029 C3* A B 792 69.472 -24.447 -26.098 1.00 0.00 C ATOM 17030 O3* A B 792 70.340 -23.493 -26.910 1.00 0.00 O ATOM 17031 C2* A B 792 68.042 -24.008 -25.787 1.00 0.00 C ATOM 17032 O2* A B 792 67.309 -23.807 -26.982 1.00 0.00 O ATOM 17033 C1* A B 792 67.471 -25.252 -25.117 1.00 0.00 C ATOM 17034 N9 A B 792 67.552 -25.243 -23.446 1.00 0.00 N ATOM 17035 C8 A B 792 66.994 -26.134 -22.556 1.00 0.00 C ATOM 17036 N7 A B 792 67.115 -25.778 -21.314 1.00 0.00 N ATOM 17037 C5 A B 792 67.797 -24.573 -21.370 1.00 0.00 C ATOM 17038 C6 A B 792 68.236 -23.686 -20.381 1.00 0.00 C ATOM 17039 N6 A B 792 68.042 -23.887 -19.064 1.00 0.00 N ATOM 17040 N1 A B 792 68.885 -22.577 -20.781 1.00 0.00 N ATOM 17041 C2 A B 792 69.075 -22.378 -22.082 1.00 0.00 C ATOM 17042 N3 A B 792 68.711 -23.139 -23.097 1.00 0.00 N ATOM 17043 C4 A B 792 68.066 -24.239 -22.666 1.00 0.00 C ATOM 17044 P A B 793 69.776 -21.741 -27.038 1.00 0.00 P ATOM 17045 O1P A B 793 68.688 -21.628 -28.032 1.00 0.00 O ATOM 17046 O2P A B 793 70.923 -20.827 -27.232 1.00 0.00 O ATOM 17047 O5* A B 793 69.176 -21.572 -25.318 1.00 0.00 O ATOM 17048 C5* A B 793 69.237 -20.877 -24.056 1.00 0.00 C ATOM 17049 C4* A B 793 69.180 -19.242 -24.065 1.00 0.00 C ATOM 17050 O4* A B 793 70.364 -18.591 -24.611 1.00 0.00 O ATOM 17051 C3* A B 793 68.013 -18.480 -24.700 1.00 0.00 C ATOM 17052 O3* A B 793 66.893 -18.617 -23.393 1.00 0.00 O ATOM 17053 C2* A B 793 68.557 -17.050 -24.748 1.00 0.00 C ATOM 17054 O2* A B 793 68.512 -16.454 -23.468 1.00 0.00 O ATOM 17055 C1* A B 793 70.027 -17.295 -25.071 1.00 0.00 C ATOM 17056 N9 A B 793 70.412 -17.195 -26.700 1.00 0.00 N ATOM 17057 C8 A B 793 70.163 -18.115 -27.692 1.00 0.00 C ATOM 17058 N7 A B 793 70.759 -17.861 -28.815 1.00 0.00 N ATOM 17059 C5 A B 793 71.460 -16.689 -28.560 1.00 0.00 C ATOM 17060 C6 A B 793 72.300 -15.892 -29.358 1.00 0.00 C ATOM 17061 N6 A B 793 72.594 -16.179 -30.637 1.00 0.00 N ATOM 17062 N1 A B 793 72.834 -14.797 -28.793 1.00 0.00 N ATOM 17063 C2 A B 793 72.537 -14.516 -27.525 1.00 0.00 C ATOM 17064 N3 A B 793 71.771 -15.180 -26.684 1.00 0.00 N ATOM 17065 C4 A B 793 71.252 -16.274 -27.274 1.00 0.00 C ATOM 17066 P A B 794 67.622 -18.651 -21.518 1.00 0.00 P ATOM 17067 O1P A B 794 68.162 -17.273 -21.448 1.00 0.00 O ATOM 17068 O2P A B 794 68.612 -19.714 -21.793 1.00 0.00 O ATOM 17069 O5* A B 794 66.821 -18.985 -20.175 1.00 0.00 O ATOM 17070 C5* A B 794 65.936 -17.993 -19.622 1.00 0.00 C ATOM 17071 C4* A B 794 65.192 -18.565 -18.431 1.00 0.00 C ATOM 17072 O4* A B 794 64.276 -19.593 -18.902 1.00 0.00 O ATOM 17073 C3* A B 794 66.051 -19.284 -17.392 1.00 0.00 C ATOM 17074 O3* A B 794 66.606 -18.388 -16.480 1.00 0.00 O ATOM 17075 C2* A B 794 65.045 -20.232 -16.746 1.00 0.00 C ATOM 17076 O2* A B 794 64.196 -19.532 -15.853 1.00 0.00 O ATOM 17077 C1* A B 794 64.193 -20.637 -17.943 1.00 0.00 C ATOM 17078 N9 A B 794 64.640 -21.900 -18.596 1.00 0.00 N ATOM 17079 C8 A B 794 65.301 -22.068 -19.793 1.00 0.00 C ATOM 17080 N7 A B 794 65.548 -23.309 -20.084 1.00 0.00 N ATOM 17081 C5 A B 794 65.024 -24.017 -19.014 1.00 0.00 C ATOM 17082 C6 A B 794 64.969 -25.389 -18.720 1.00 0.00 C ATOM 17083 N6 A B 794 65.474 -26.338 -19.525 1.00 0.00 N ATOM 17084 N1 A B 794 64.374 -25.757 -17.573 1.00 0.00 N ATOM 17085 C2 A B 794 63.874 -24.809 -16.779 1.00 0.00 C ATOM 17086 N3 A B 794 63.867 -23.505 -16.946 1.00 0.00 N ATOM 17087 C4 A B 794 64.469 -23.168 -18.103 1.00 0.00 C ATOM 17088 P C B 795 68.091 -18.706 -15.871 1.00 0.00 P ATOM 17089 O1P C B 795 68.651 -17.495 -15.231 1.00 0.00 O ATOM 17090 O2P C B 795 68.928 -19.330 -16.919 1.00 0.00 O ATOM 17091 O5* C B 795 67.725 -19.789 -14.749 1.00 0.00 O ATOM 17092 C5* C B 795 66.840 -19.415 -13.679 1.00 0.00 C ATOM 17093 C4* C B 795 66.537 -20.617 -12.810 1.00 0.00 C ATOM 17094 O4* C B 795 65.741 -21.567 -13.580 1.00 0.00 O ATOM 17095 C3* C B 795 67.749 -21.437 -12.362 1.00 0.00 C ATOM 17096 O3* C B 795 68.335 -20.895 -11.219 1.00 0.00 O ATOM 17097 C2* C B 795 67.131 -22.810 -12.110 1.00 0.00 C ATOM 17098 O2* C B 795 66.413 -22.824 -10.884 1.00 0.00 O ATOM 17099 C1* C B 795 66.097 -22.893 -13.228 1.00 0.00 C ATOM 17100 N1 C B 795 66.592 -23.580 -14.452 1.00 0.00 N ATOM 17101 C2 C B 795 66.731 -24.963 -14.413 1.00 0.00 C ATOM 17102 O2 C B 795 66.437 -25.560 -13.371 1.00 0.00 O ATOM 17103 N3 C B 795 67.184 -25.606 -15.517 1.00 0.00 N ATOM 17104 C4 C B 795 67.493 -24.920 -16.627 1.00 0.00 C ATOM 17105 N4 C B 795 67.928 -25.596 -17.680 1.00 0.00 N ATOM 17106 C5 C B 795 67.357 -23.497 -16.690 1.00 0.00 C ATOM 17107 C6 C B 795 66.905 -22.873 -15.574 1.00 0.00 C ATOM 17108 P C B 796 69.955 -21.011 -11.039 1.00 0.00 P ATOM 17109 O1P C B 796 70.421 -20.079 -9.989 1.00 0.00 O ATOM 17110 O2P C B 796 70.607 -20.870 -12.362 1.00 0.00 O ATOM 17111 O5* C B 796 70.089 -22.520 -10.525 1.00 0.00 O ATOM 17112 C5* C B 796 69.446 -22.899 -9.296 1.00 0.00 C ATOM 17113 C4* C B 796 69.603 -24.389 -9.068 1.00 0.00 C ATOM 17114 O4* C B 796 68.832 -25.105 -10.077 1.00 0.00 O ATOM 17115 C3* C B 796 71.019 -24.946 -9.228 1.00 0.00 C ATOM 17116 O3* C B 796 71.760 -24.793 -8.057 1.00 0.00 O ATOM 17117 C2* C B 796 70.750 -26.408 -9.572 1.00 0.00 C ATOM 17118 O2* C B 796 70.380 -27.137 -8.415 1.00 0.00 O ATOM 17119 C1* C B 796 69.506 -26.294 -10.444 1.00 0.00 C ATOM 17120 N1 C B 796 69.800 -26.228 -11.903 1.00 0.00 N ATOM 17121 C2 C B 796 70.199 -27.399 -12.540 1.00 0.00 C ATOM 17122 O2 C B 796 70.292 -28.438 -11.874 1.00 0.00 O ATOM 17123 N3 C B 796 70.471 -27.359 -13.868 1.00 0.00 N ATOM 17124 C4 C B 796 70.361 -26.213 -14.555 1.00 0.00 C ATOM 17125 N4 C B 796 70.637 -26.227 -15.848 1.00 0.00 N ATOM 17126 C5 C B 796 69.952 -24.998 -13.918 1.00 0.00 C ATOM 17127 C6 C B 796 69.682 -25.057 -12.589 1.00 0.00 C ATOM 17128 P G B 797 73.364 -24.515 -8.177 1.00 0.00 P ATOM 17129 O1P G B 797 73.896 -24.024 -6.887 1.00 0.00 O ATOM 17130 O2P G B 797 73.628 -23.653 -9.350 1.00 0.00 O ATOM 17131 O5* G B 797 73.907 -25.994 -8.459 1.00 0.00 O ATOM 17132 C5* G B 797 73.673 -27.022 -7.480 1.00 0.00 C ATOM 17133 C4* G B 797 74.157 -28.359 -8.008 1.00 0.00 C ATOM 17134 O4* G B 797 73.303 -28.764 -9.117 1.00 0.00 O ATOM 17135 C3* G B 797 75.566 -28.374 -8.598 1.00 0.00 C ATOM 17136 O3* G B 797 76.536 -28.530 -7.612 1.00 0.00 O ATOM 17137 C2* G B 797 75.498 -29.562 -9.552 1.00 0.00 C ATOM 17138 O2* G B 797 75.571 -30.786 -8.840 1.00 0.00 O ATOM 17139 C1* G B 797 74.074 -29.448 -10.092 1.00 0.00 C ATOM 17140 N9 G B 797 73.979 -28.688 -11.369 1.00 0.00 N ATOM 17141 C8 G B 797 73.504 -27.415 -11.593 1.00 0.00 C ATOM 17142 N7 G B 797 73.557 -27.038 -12.846 1.00 0.00 N ATOM 17143 C5 G B 797 74.102 -28.142 -13.502 1.00 0.00 C ATOM 17144 C6 G B 797 74.401 -28.333 -14.876 1.00 0.00 C ATOM 17145 O6 G B 797 74.240 -27.555 -15.815 1.00 0.00 O ATOM 17146 N1 G B 797 74.947 -29.603 -15.108 1.00 0.00 N ATOM 17147 C2 G B 797 75.174 -30.562 -14.143 1.00 0.00 C ATOM 17148 N2 G B 797 75.704 -31.710 -14.568 1.00 0.00 N ATOM 17149 N3 G B 797 74.895 -30.379 -12.853 1.00 0.00 N ATOM 17150 C4 G B 797 74.363 -29.152 -12.608 1.00 0.00 C ATOM 17151 P G B 798 77.977 -27.788 -7.804 1.00 0.00 P ATOM 17152 O1P G B 798 78.715 -27.764 -6.519 1.00 0.00 O ATOM 17153 O2P G B 798 77.772 -26.474 -8.454 1.00 0.00 O ATOM 17154 O5* G B 798 78.696 -28.792 -8.818 1.00 0.00 O ATOM 17155 C5* G B 798 78.913 -30.157 -8.419 1.00 0.00 C ATOM 17156 C4* G B 798 79.490 -30.951 -9.576 1.00 0.00 C ATOM 17157 O4* G B 798 78.480 -31.068 -10.618 1.00 0.00 O ATOM 17158 C3* G B 798 80.682 -30.316 -10.291 1.00 0.00 C ATOM 17159 O3* G B 798 81.881 -30.594 -9.637 1.00 0.00 O ATOM 17160 C2* G B 798 80.604 -30.956 -11.676 1.00 0.00 C ATOM 17161 O2* G B 798 81.081 -32.290 -11.641 1.00 0.00 O ATOM 17162 C1* G B 798 79.096 -31.030 -11.895 1.00 0.00 C ATOM 17163 N9 G B 798 78.541 -29.862 -12.637 1.00 0.00 N ATOM 17164 C8 G B 798 77.800 -28.804 -12.164 1.00 0.00 C ATOM 17165 N7 G B 798 77.463 -27.931 -13.087 1.00 0.00 N ATOM 17166 C5 G B 798 78.024 -28.453 -14.252 1.00 0.00 C ATOM 17167 C6 G B 798 77.999 -27.952 -15.580 1.00 0.00 C ATOM 17168 O6 G B 798 77.468 -26.932 -16.010 1.00 0.00 O ATOM 17169 N1 G B 798 78.698 -28.795 -16.455 1.00 0.00 N ATOM 17170 C2 G B 798 79.336 -29.967 -16.099 1.00 0.00 C ATOM 17171 N2 G B 798 79.947 -30.628 -17.083 1.00 0.00 N ATOM 17172 N3 G B 798 79.360 -30.433 -14.851 1.00 0.00 N ATOM 17173 C4 G B 798 78.688 -29.628 -13.987 1.00 0.00 C ATOM 17174 P G B 799 83.064 -29.472 -9.650 1.00 0.00 P ATOM 17175 O1P G B 799 84.079 -29.786 -8.620 1.00 0.00 O ATOM 17176 O2P G B 799 82.461 -28.123 -9.570 1.00 0.00 O ATOM 17177 O5* G B 799 83.680 -29.702 -11.109 1.00 0.00 O ATOM 17178 C5* G B 799 84.242 -30.988 -11.435 1.00 0.00 C ATOM 17179 C4* G B 799 84.649 -31.020 -12.894 1.00 0.00 C ATOM 17180 O4* G B 799 83.451 -30.965 -13.716 1.00 0.00 O ATOM 17181 C3* G B 799 85.484 -29.834 -13.379 1.00 0.00 C ATOM 17182 O3* G B 799 86.839 -30.016 -13.103 1.00 0.00 O ATOM 17183 C2* G B 799 85.183 -29.824 -14.877 1.00 0.00 C ATOM 17184 O2* G B 799 85.896 -30.853 -15.539 1.00 0.00 O ATOM 17185 C1* G B 799 83.711 -30.216 -14.895 1.00 0.00 C ATOM 17186 N9 G B 799 82.779 -29.054 -14.916 1.00 0.00 N ATOM 17187 C8 G B 799 81.993 -28.550 -13.904 1.00 0.00 C ATOM 17188 N7 G B 799 81.282 -27.503 -14.250 1.00 0.00 N ATOM 17189 C5 G B 799 81.619 -27.303 -15.587 1.00 0.00 C ATOM 17190 C6 G B 799 81.170 -26.314 -16.503 1.00 0.00 C ATOM 17191 O6 G B 799 80.368 -25.403 -16.324 1.00 0.00 O ATOM 17192 N1 G B 799 81.774 -26.475 -17.760 1.00 0.00 N ATOM 17193 C2 G B 799 82.687 -27.457 -18.088 1.00 0.00 C ATOM 17194 N2 G B 799 83.147 -27.438 -19.342 1.00 0.00 N ATOM 17195 N3 G B 799 83.108 -28.382 -17.229 1.00 0.00 N ATOM 17196 C4 G B 799 82.534 -28.243 -16.002 1.00 0.00 C ATOM 17197 P A B 800 88.069 -29.725 -11.707 1.00 0.00 P ATOM 17198 O1P A B 800 89.371 -29.498 -12.378 1.00 0.00 O ATOM 17199 O2P A B 800 88.013 -30.865 -10.770 1.00 0.00 O ATOM 17200 O5* A B 800 87.633 -28.161 -10.800 1.00 0.00 O ATOM 17201 C5* A B 800 88.138 -27.469 -9.570 1.00 0.00 C ATOM 17202 C4* A B 800 87.059 -27.617 -8.342 1.00 0.00 C ATOM 17203 O4* A B 800 86.480 -28.916 -8.655 1.00 0.00 O ATOM 17204 C3* A B 800 87.145 -27.603 -6.823 1.00 0.00 C ATOM 17205 O3* A B 800 87.033 -26.159 -6.193 1.00 0.00 O ATOM 17206 C2* A B 800 85.878 -28.363 -6.420 1.00 0.00 C ATOM 17207 O2* A B 800 84.729 -27.538 -6.569 1.00 0.00 O ATOM 17208 C1* A B 800 85.801 -29.424 -7.518 1.00 0.00 C ATOM 17209 N9 A B 800 86.473 -30.885 -7.118 1.00 0.00 N ATOM 17210 C8 A B 800 86.746 -31.384 -5.864 1.00 0.00 C ATOM 17211 N7 A B 800 87.090 -32.634 -5.858 1.00 0.00 N ATOM 17212 C5 A B 800 87.045 -33.000 -7.197 1.00 0.00 C ATOM 17213 C6 A B 800 87.307 -34.212 -7.860 1.00 0.00 C ATOM 17214 N6 A B 800 87.683 -35.331 -7.227 1.00 0.00 N ATOM 17215 N1 A B 800 87.161 -34.232 -9.196 1.00 0.00 N ATOM 17216 C2 A B 800 86.787 -33.116 -9.816 1.00 0.00 C ATOM 17217 N3 A B 800 86.518 -31.930 -9.309 1.00 0.00 N ATOM 17218 C4 A B 800 86.668 -31.940 -7.967 1.00 0.00 C ATOM 17219 P G B 801 86.038 -25.912 -4.637 1.00 0.00 P ATOM 17220 O1P G B 801 86.476 -24.667 -3.970 1.00 0.00 O ATOM 17221 O2P G B 801 86.084 -27.136 -3.807 1.00 0.00 O ATOM 17222 O5* G B 801 84.323 -25.692 -5.313 1.00 0.00 O ATOM 17223 C5* G B 801 82.947 -26.124 -4.975 1.00 0.00 C ATOM 17224 C4* G B 801 81.723 -25.875 -6.050 1.00 0.00 C ATOM 17225 O4* G B 801 81.976 -25.226 -7.323 1.00 0.00 O ATOM 17226 C3* G B 801 80.197 -25.846 -5.918 1.00 0.00 C ATOM 17227 O3* G B 801 79.340 -26.365 -4.672 1.00 0.00 O ATOM 17228 C2* G B 801 79.850 -24.497 -6.548 1.00 0.00 C ATOM 17229 O2* G B 801 80.147 -23.436 -5.662 1.00 0.00 O ATOM 17230 C1* G B 801 80.861 -24.422 -7.690 1.00 0.00 C ATOM 17231 N9 G B 801 80.258 -24.987 -9.243 1.00 0.00 N ATOM 17232 C8 G B 801 80.495 -26.182 -9.885 1.00 0.00 C ATOM 17233 N7 G B 801 79.833 -26.323 -11.011 1.00 0.00 N ATOM 17234 C5 G B 801 79.114 -25.132 -11.120 1.00 0.00 C ATOM 17235 C6 G B 801 78.221 -24.693 -12.131 1.00 0.00 C ATOM 17236 O6 G B 801 77.872 -25.277 -13.155 1.00 0.00 O ATOM 17237 N1 G B 801 77.711 -23.421 -11.848 1.00 0.00 N ATOM 17238 C2 G B 801 78.027 -22.661 -10.737 1.00 0.00 C ATOM 17239 N2 G B 801 77.435 -21.473 -10.651 1.00 0.00 N ATOM 17240 N3 G B 801 78.869 -23.073 -9.789 1.00 0.00 N ATOM 17241 C4 G B 801 79.371 -24.312 -10.046 1.00 0.00 C ATOM 17242 P A B 802 78.657 -28.021 -4.073 1.00 0.00 P ATOM 17243 O1P A B 802 79.510 -28.332 -2.904 1.00 0.00 O ATOM 17244 O2P A B 802 78.386 -29.149 -4.990 1.00 0.00 O ATOM 17245 O5* A B 802 76.957 -27.391 -3.701 1.00 0.00 O ATOM 17246 C5* A B 802 76.048 -26.740 -2.772 1.00 0.00 C ATOM 17247 C4* A B 802 76.957 -25.712 -1.864 1.00 0.00 C ATOM 17248 O4* A B 802 78.169 -25.752 -2.669 1.00 0.00 O ATOM 17249 C3* A B 802 76.908 -24.274 -1.344 1.00 0.00 C ATOM 17250 O3* A B 802 75.681 -23.102 -1.631 1.00 0.00 O ATOM 17251 C2* A B 802 78.387 -23.967 -1.124 1.00 0.00 C ATOM 17252 O2* A B 802 78.859 -24.585 0.061 1.00 0.00 O ATOM 17253 C1* A B 802 79.034 -24.691 -2.297 1.00 0.00 C ATOM 17254 N9 A B 802 80.537 -25.329 -1.977 1.00 0.00 N ATOM 17255 C8 A B 802 81.769 -24.870 -2.402 1.00 0.00 C ATOM 17256 N7 A B 802 82.744 -25.689 -2.163 1.00 0.00 N ATOM 17257 C5 A B 802 82.133 -26.774 -1.548 1.00 0.00 C ATOM 17258 C6 A B 802 82.631 -27.984 -1.048 1.00 0.00 C ATOM 17259 N6 A B 802 83.929 -28.328 -1.094 1.00 0.00 N ATOM 17260 N1 A B 802 81.750 -28.840 -0.495 1.00 0.00 N ATOM 17261 C2 A B 802 80.464 -28.490 -0.450 1.00 0.00 C ATOM 17262 N3 A B 802 79.883 -27.392 -0.881 1.00 0.00 N ATOM 17263 C4 A B 802 80.789 -26.556 -1.431 1.00 0.00 C ATOM 17264 P U B 803 74.213 -22.122 -0.752 1.00 0.00 P ATOM 17265 O1P U B 803 73.005 -22.308 -1.588 1.00 0.00 O ATOM 17266 O2P U B 803 74.598 -20.716 -0.481 1.00 0.00 O ATOM 17267 O5* U B 803 73.835 -22.764 0.973 1.00 0.00 O ATOM 17268 C5* U B 803 72.970 -21.859 1.774 1.00 0.00 C ATOM 17269 C4* U B 803 73.713 -21.164 3.055 1.00 0.00 C ATOM 17270 O4* U B 803 74.550 -22.180 3.686 1.00 0.00 O ATOM 17271 C3* U B 803 74.601 -19.914 3.045 1.00 0.00 C ATOM 17272 O3* U B 803 74.388 -18.456 2.337 1.00 0.00 O ATOM 17273 C2* U B 803 75.355 -20.048 4.365 1.00 0.00 C ATOM 17274 O2* U B 803 74.521 -19.700 5.454 1.00 0.00 O ATOM 17275 C1* U B 803 75.577 -21.556 4.443 1.00 0.00 C ATOM 17276 N1 U B 803 77.110 -22.095 3.831 1.00 0.00 N ATOM 17277 C2 U B 803 77.329 -23.448 3.807 1.00 0.00 C ATOM 17278 O2 U B 803 76.551 -24.253 4.283 1.00 0.00 O ATOM 17279 N3 U B 803 78.499 -23.854 3.188 1.00 0.00 N ATOM 17280 C4 U B 803 79.446 -23.031 2.615 1.00 0.00 C ATOM 17281 O4 U B 803 80.457 -23.508 2.092 1.00 0.00 O ATOM 17282 C5 U B 803 79.133 -21.625 2.692 1.00 0.00 C ATOM 17283 C6 U B 803 78.000 -21.205 3.284 1.00 0.00 C ATOM 17284 P A B 804 72.800 -17.520 1.828 1.00 0.00 P ATOM 17285 O1P A B 804 71.964 -17.432 3.051 1.00 0.00 O ATOM 17286 O2P A B 804 72.194 -18.238 0.683 1.00 0.00 O ATOM 17287 O5* A B 804 73.115 -15.722 1.183 1.00 0.00 O ATOM 17288 C5* A B 804 73.388 -14.327 0.415 1.00 0.00 C ATOM 17289 C4* A B 804 73.806 -13.827 -1.223 1.00 0.00 C ATOM 17290 O4* A B 804 72.779 -13.353 -2.141 1.00 0.00 O ATOM 17291 C3* A B 804 75.025 -14.047 -2.122 1.00 0.00 C ATOM 17292 O3* A B 804 76.354 -14.700 -1.701 1.00 0.00 O ATOM 17293 C2* A B 804 74.381 -14.561 -3.407 1.00 0.00 C ATOM 17294 O2* A B 804 73.986 -15.915 -3.269 1.00 0.00 O ATOM 17295 C1* A B 804 73.102 -13.732 -3.468 1.00 0.00 C ATOM 17296 N9 A B 804 73.212 -12.337 -4.408 1.00 0.00 N ATOM 17297 C8 A B 804 73.526 -12.231 -5.749 1.00 0.00 C ATOM 17298 N7 A B 804 73.361 -11.039 -6.233 1.00 0.00 N ATOM 17299 C5 A B 804 72.908 -10.294 -5.154 1.00 0.00 C ATOM 17300 C6 A B 804 72.550 -8.946 -5.013 1.00 0.00 C ATOM 17301 N6 A B 804 72.594 -8.061 -6.018 1.00 0.00 N ATOM 17302 N1 A B 804 72.142 -8.530 -3.800 1.00 0.00 N ATOM 17303 C2 A B 804 72.104 -9.414 -2.801 1.00 0.00 C ATOM 17304 N3 A B 804 72.413 -10.694 -2.810 1.00 0.00 N ATOM 17305 C4 A B 804 72.815 -11.080 -4.035 1.00 0.00 C ATOM 17306 P G B 805 77.205 -15.849 -2.859 1.00 0.00 P ATOM 17307 O1P G B 805 78.165 -15.151 -3.745 1.00 0.00 O ATOM 17308 O2P G B 805 76.287 -16.794 -3.529 1.00 0.00 O ATOM 17309 O5* G B 805 78.044 -16.657 -1.459 1.00 0.00 O ATOM 17310 C5* G B 805 79.028 -17.471 -0.799 1.00 0.00 C ATOM 17311 C4* G B 805 80.471 -17.014 -1.390 1.00 0.00 C ATOM 17312 O4* G B 805 80.278 -16.305 -2.647 1.00 0.00 O ATOM 17313 C3* G B 805 81.348 -16.075 -0.569 1.00 0.00 C ATOM 17314 O3* G B 805 82.110 -16.818 0.515 1.00 0.00 O ATOM 17315 C2* G B 805 82.260 -15.466 -1.633 1.00 0.00 C ATOM 17316 O2* G B 805 83.261 -16.383 -2.020 1.00 0.00 O ATOM 17317 C1* G B 805 81.300 -15.332 -2.812 1.00 0.00 C ATOM 17318 N9 G B 805 80.548 -13.767 -2.963 1.00 0.00 N ATOM 17319 C8 G B 805 79.294 -13.363 -2.556 1.00 0.00 C ATOM 17320 N7 G B 805 78.972 -12.154 -2.947 1.00 0.00 N ATOM 17321 C5 G B 805 80.085 -11.729 -3.670 1.00 0.00 C ATOM 17322 C6 G B 805 80.321 -10.504 -4.344 1.00 0.00 C ATOM 17323 O6 G B 805 79.590 -9.523 -4.443 1.00 0.00 O ATOM 17324 N1 G B 805 81.588 -10.488 -4.946 1.00 0.00 N ATOM 17325 C2 G B 805 82.500 -11.524 -4.905 1.00 0.00 C ATOM 17326 N2 G B 805 83.653 -11.314 -5.548 1.00 0.00 N ATOM 17327 N3 G B 805 82.276 -12.672 -4.272 1.00 0.00 N ATOM 17328 C4 G B 805 81.054 -12.705 -3.684 1.00 0.00 C ATOM 17329 P C B 806 81.725 -16.013 2.086 1.00 0.00 P ATOM 17330 O1P C B 806 82.763 -16.369 3.077 1.00 0.00 O ATOM 17331 O2P C B 806 80.321 -16.197 2.526 1.00 0.00 O ATOM 17332 O5* C B 806 81.924 -14.377 1.273 1.00 0.00 O ATOM 17333 C5* C B 806 82.159 -13.493 0.113 1.00 0.00 C ATOM 17334 C4* C B 806 81.918 -11.871 0.098 1.00 0.00 C ATOM 17335 O4* C B 806 81.716 -11.084 -1.111 1.00 0.00 O ATOM 17336 C3* C B 806 81.320 -11.003 1.210 1.00 0.00 C ATOM 17337 O3* C B 806 79.962 -11.339 1.918 1.00 0.00 O ATOM 17338 C2* C B 806 81.686 -9.598 0.746 1.00 0.00 C ATOM 17339 O2* C B 806 83.055 -9.328 0.991 1.00 0.00 O ATOM 17340 C1* C B 806 81.528 -9.720 -0.769 1.00 0.00 C ATOM 17341 N1 C B 806 80.002 -9.219 -1.370 1.00 0.00 N ATOM 17342 C2 C B 806 79.965 -8.092 -2.188 1.00 0.00 C ATOM 17343 O2 C B 806 81.021 -7.514 -2.454 1.00 0.00 O ATOM 17344 N3 C B 806 78.765 -7.675 -2.669 1.00 0.00 N ATOM 17345 C4 C B 806 77.640 -8.329 -2.358 1.00 0.00 C ATOM 17346 N4 C B 806 76.494 -7.877 -2.846 1.00 0.00 N ATOM 17347 C5 C B 806 77.655 -9.490 -1.513 1.00 0.00 C ATOM 17348 C6 C B 806 78.865 -9.889 -1.046 1.00 0.00 C ATOM 17349 P U B 807 78.997 -12.811 1.423 1.00 0.00 P ATOM 17350 O1P U B 807 78.624 -13.610 2.610 1.00 0.00 O ATOM 17351 O2P U B 807 79.537 -13.575 0.275 1.00 0.00 O ATOM 17352 O5* U B 807 77.705 -11.698 0.834 1.00 0.00 O ATOM 17353 C5* U B 807 76.483 -11.009 0.930 1.00 0.00 C ATOM 17354 C4* U B 807 75.765 -11.181 2.359 1.00 0.00 C ATOM 17355 O4* U B 807 74.577 -12.019 2.464 1.00 0.00 O ATOM 17356 C3* U B 807 76.350 -11.192 3.769 1.00 0.00 C ATOM 17357 O3* U B 807 77.628 -10.548 4.247 1.00 0.00 O ATOM 17358 C2* U B 807 75.091 -11.202 4.636 1.00 0.00 C ATOM 17359 O2* U B 807 74.498 -9.918 4.674 1.00 0.00 O ATOM 17360 C1* U B 807 74.167 -12.099 3.820 1.00 0.00 C ATOM 17361 N1 U B 807 74.174 -13.714 4.280 1.00 0.00 N ATOM 17362 C2 U B 807 73.085 -14.473 3.916 1.00 0.00 C ATOM 17363 O2 U B 807 72.168 -14.039 3.237 1.00 0.00 O ATOM 17364 N3 U B 807 73.088 -15.775 4.382 1.00 0.00 N ATOM 17365 C4 U B 807 74.070 -16.364 5.155 1.00 0.00 C ATOM 17366 O4 U B 807 73.961 -17.542 5.506 1.00 0.00 O ATOM 17367 C5 U B 807 75.169 -15.492 5.479 1.00 0.00 C ATOM 17368 C6 U B 807 75.192 -14.221 5.041 1.00 0.00 C ATOM 17369 P G B 808 77.723 -10.114 6.029 1.00 0.00 P ATOM 17370 O1P G B 808 76.504 -10.275 6.854 1.00 0.00 O ATOM 17371 O2P G B 808 78.387 -8.796 6.109 1.00 0.00 O ATOM 17372 O5* G B 808 78.770 -11.271 6.381 1.00 0.00 O ATOM 17373 C5* G B 808 78.296 -12.467 7.027 1.00 0.00 C ATOM 17374 C4* G B 808 79.426 -13.470 7.150 1.00 0.00 C ATOM 17375 O4* G B 808 79.788 -13.938 5.820 1.00 0.00 O ATOM 17376 C3* G B 808 80.736 -12.930 7.723 1.00 0.00 C ATOM 17377 O3* G B 808 80.724 -12.927 9.116 1.00 0.00 O ATOM 17378 C2* G B 808 81.762 -13.903 7.144 1.00 0.00 C ATOM 17379 O2* G B 808 81.735 -15.138 7.842 1.00 0.00 O ATOM 17380 C1* G B 808 81.188 -14.164 5.754 1.00 0.00 C ATOM 17381 N9 G B 808 81.750 -13.279 4.699 1.00 0.00 N ATOM 17382 C8 G B 808 81.163 -12.206 4.062 1.00 0.00 C ATOM 17383 N7 G B 808 81.935 -11.629 3.169 1.00 0.00 N ATOM 17384 C5 G B 808 83.113 -12.372 3.220 1.00 0.00 C ATOM 17385 C6 G B 808 84.317 -12.228 2.487 1.00 0.00 C ATOM 17386 O6 G B 808 84.597 -11.399 1.623 1.00 0.00 O ATOM 17387 N1 G B 808 85.261 -13.198 2.853 1.00 0.00 N ATOM 17388 C2 G B 808 85.067 -14.176 3.804 1.00 0.00 C ATOM 17389 N2 G B 808 86.092 -15.009 4.010 1.00 0.00 N ATOM 17390 N3 G B 808 83.936 -14.314 4.495 1.00 0.00 N ATOM 17391 C4 G B 808 83.009 -13.382 4.153 1.00 0.00 C ATOM 17392 P G B 809 81.521 -11.741 9.906 1.00 0.00 P ATOM 17393 O1P G B 809 81.095 -11.696 11.321 1.00 0.00 O ATOM 17394 O2P G B 809 81.392 -10.477 9.151 1.00 0.00 O ATOM 17395 O5* G B 809 83.028 -12.276 9.811 1.00 0.00 O ATOM 17396 C5* G B 809 83.355 -13.545 10.403 1.00 0.00 C ATOM 17397 C4* G B 809 84.793 -13.909 10.087 1.00 0.00 C ATOM 17398 O4* G B 809 84.911 -14.171 8.657 1.00 0.00 O ATOM 17399 C3* G B 809 85.829 -12.815 10.346 1.00 0.00 C ATOM 17400 O3* G B 809 86.237 -12.799 11.680 1.00 0.00 O ATOM 17401 C2* G B 809 86.954 -13.208 9.392 1.00 0.00 C ATOM 17402 O2* G B 809 87.690 -14.302 9.905 1.00 0.00 O ATOM 17403 C1* G B 809 86.171 -13.723 8.190 1.00 0.00 C ATOM 17404 N9 G B 809 85.931 -12.690 7.143 1.00 0.00 N ATOM 17405 C8 G B 809 84.768 -12.023 6.828 1.00 0.00 C ATOM 17406 N7 G B 809 84.895 -11.167 5.841 1.00 0.00 N ATOM 17407 C5 G B 809 86.237 -11.277 5.477 1.00 0.00 C ATOM 17408 C6 G B 809 86.965 -10.597 4.468 1.00 0.00 C ATOM 17409 O6 G B 809 86.573 -9.746 3.673 1.00 0.00 O ATOM 17410 N1 G B 809 88.305 -11.013 4.437 1.00 0.00 N ATOM 17411 C2 G B 809 88.862 -11.959 5.274 1.00 0.00 C ATOM 17412 N2 G B 809 90.158 -12.214 5.085 1.00 0.00 N ATOM 17413 N3 G B 809 88.179 -12.595 6.222 1.00 0.00 N ATOM 17414 C4 G B 809 86.876 -12.204 6.266 1.00 0.00 C ATOM 17415 P U B 810 84.982 -12.090 12.874 1.00 0.00 P ATOM 17416 O1P U B 810 83.610 -12.599 12.640 1.00 0.00 O ATOM 17417 O2P U B 810 85.110 -10.622 12.990 1.00 0.00 O ATOM 17418 O5* U B 810 85.752 -12.946 14.318 1.00 0.00 O ATOM 17419 C5* U B 810 86.575 -13.171 15.519 1.00 0.00 C ATOM 17420 C4* U B 810 86.348 -14.489 16.489 1.00 0.00 C ATOM 17421 O4* U B 810 86.215 -15.814 15.893 1.00 0.00 O ATOM 17422 C3* U B 810 87.034 -14.758 17.828 1.00 0.00 C ATOM 17423 O3* U B 810 87.061 -13.704 19.010 1.00 0.00 O ATOM 17424 C2* U B 810 86.420 -16.095 18.244 1.00 0.00 C ATOM 17425 O2* U B 810 85.101 -15.907 18.728 1.00 0.00 O ATOM 17426 C1* U B 810 86.303 -16.803 16.901 1.00 0.00 C ATOM 17427 N1 U B 810 87.629 -17.860 16.519 1.00 0.00 N ATOM 17428 C2 U B 810 88.800 -17.671 17.218 1.00 0.00 C ATOM 17429 O2 U B 810 88.969 -16.741 17.985 1.00 0.00 O ATOM 17430 N3 U B 810 89.779 -18.620 17.000 1.00 0.00 N ATOM 17431 C4 U B 810 89.694 -19.710 16.159 1.00 0.00 C ATOM 17432 O4 U B 810 90.642 -20.488 16.041 1.00 0.00 O ATOM 17433 C5 U B 810 88.431 -19.824 15.466 1.00 0.00 C ATOM 17434 C6 U B 810 87.458 -18.917 15.662 1.00 0.00 C ATOM 17435 P U B 811 85.601 -12.639 19.469 1.00 0.00 P ATOM 17436 O1P U B 811 84.337 -13.381 19.270 1.00 0.00 O ATOM 17437 O2P U B 811 85.708 -11.349 18.753 1.00 0.00 O ATOM 17438 O5* U B 811 85.785 -12.370 21.308 1.00 0.00 O ATOM 17439 C5* U B 811 84.759 -12.015 22.347 1.00 0.00 C ATOM 17440 C4* U B 811 85.236 -11.389 23.849 1.00 0.00 C ATOM 17441 O4* U B 811 86.601 -10.897 23.852 1.00 0.00 O ATOM 17442 C3* U B 811 85.045 -11.964 25.250 1.00 0.00 C ATOM 17443 O3* U B 811 84.310 -11.342 26.597 1.00 0.00 O ATOM 17444 C2* U B 811 86.421 -12.552 25.551 1.00 0.00 C ATOM 17445 O2* U B 811 86.606 -13.774 24.860 1.00 0.00 O ATOM 17446 C1* U B 811 87.337 -11.525 24.890 1.00 0.00 C ATOM 17447 N1 U B 811 87.956 -10.253 25.995 1.00 0.00 N ATOM 17448 C2 U B 811 87.028 -9.399 26.540 1.00 0.00 C ATOM 17449 O2 U B 811 85.857 -9.380 26.186 1.00 0.00 O ATOM 17450 N3 U B 811 87.505 -8.551 27.522 1.00 0.00 N ATOM 17451 C4 U B 811 88.803 -8.491 27.992 1.00 0.00 C ATOM 17452 O4 U B 811 89.113 -7.687 28.872 1.00 0.00 O ATOM 17453 C5 U B 811 89.702 -9.425 27.361 1.00 0.00 C ATOM 17454 C6 U B 811 89.264 -10.258 26.402 1.00 0.00 C ATOM 17455 P C B 812 82.592 -11.552 27.263 1.00 0.00 P ATOM 17456 O1P C B 812 81.877 -10.432 26.613 1.00 0.00 O ATOM 17457 O2P C B 812 82.176 -11.866 28.650 1.00 0.00 O ATOM 17458 O5* C B 812 82.479 -12.865 26.354 1.00 0.00 O ATOM 17459 C5* C B 812 82.133 -12.725 24.964 1.00 0.00 C ATOM 17460 C4* C B 812 82.205 -14.070 24.274 1.00 0.00 C ATOM 17461 O4* C B 812 83.596 -14.499 24.222 1.00 0.00 O ATOM 17462 C3* C B 812 81.491 -15.223 24.981 1.00 0.00 C ATOM 17463 O3* C B 812 80.133 -15.254 24.666 1.00 0.00 O ATOM 17464 C2* C B 812 82.244 -16.442 24.451 1.00 0.00 C ATOM 17465 O2* C B 812 81.844 -16.743 23.126 1.00 0.00 O ATOM 17466 C1* C B 812 83.672 -15.909 24.373 1.00 0.00 C ATOM 17467 N1 C B 812 84.484 -16.198 25.587 1.00 0.00 N ATOM 17468 C2 C B 812 84.931 -17.505 25.773 1.00 0.00 C ATOM 17469 O2 C B 812 84.636 -18.360 24.930 1.00 0.00 O ATOM 17470 N3 C B 812 85.674 -17.791 26.874 1.00 0.00 N ATOM 17471 C4 C B 812 85.972 -16.835 27.763 1.00 0.00 C ATOM 17472 N4 C B 812 86.697 -17.164 28.818 1.00 0.00 N ATOM 17473 C5 C B 812 85.521 -15.485 27.590 1.00 0.00 C ATOM 17474 C6 C B 812 84.781 -15.221 26.484 1.00 0.00 C ATOM 17475 P U B 813 79.074 -15.752 25.806 1.00 0.00 P ATOM 17476 O1P U B 813 77.697 -15.370 25.425 1.00 0.00 O ATOM 17477 O2P U B 813 79.527 -15.285 27.135 1.00 0.00 O ATOM 17478 O5* U B 813 79.246 -17.340 25.700 1.00 0.00 O ATOM 17479 C5* U B 813 78.946 -17.993 24.455 1.00 0.00 C ATOM 17480 C4* U B 813 79.294 -19.463 24.540 1.00 0.00 C ATOM 17481 O4* U B 813 80.743 -19.599 24.642 1.00 0.00 O ATOM 17482 C3* U B 813 78.767 -20.200 25.772 1.00 0.00 C ATOM 17483 O3* U B 813 77.454 -20.631 25.589 1.00 0.00 O ATOM 17484 C2* U B 813 79.753 -21.359 25.899 1.00 0.00 C ATOM 17485 O2* U B 813 79.478 -22.362 24.934 1.00 0.00 O ATOM 17486 C1* U B 813 81.063 -20.695 25.484 1.00 0.00 C ATOM 17487 N1 U B 813 81.856 -20.173 26.634 1.00 0.00 N ATOM 17488 C2 U B 813 82.507 -21.097 27.416 1.00 0.00 C ATOM 17489 O2 U B 813 82.456 -22.300 27.203 1.00 0.00 O ATOM 17490 N3 U B 813 83.233 -20.578 28.469 1.00 0.00 N ATOM 17491 C4 U B 813 83.359 -19.242 28.800 1.00 0.00 C ATOM 17492 O4 U B 813 84.034 -18.899 29.768 1.00 0.00 O ATOM 17493 C5 U B 813 82.638 -18.351 27.921 1.00 0.00 C ATOM 17494 C6 U B 813 81.925 -18.830 26.889 1.00 0.00 C ATOM 17495 P C B 814 76.449 -20.657 26.875 1.00 0.00 P ATOM 17496 O1P C B 814 75.046 -20.779 26.424 1.00 0.00 O ATOM 17497 O2P C B 814 76.746 -19.507 27.757 1.00 0.00 O ATOM 17498 O5* C B 814 76.910 -22.018 27.584 1.00 0.00 O ATOM 17499 C5* C B 814 76.792 -23.256 26.861 1.00 0.00 C ATOM 17500 C4* C B 814 77.398 -24.387 27.668 1.00 0.00 C ATOM 17501 O4* C B 814 78.841 -24.189 27.751 1.00 0.00 O ATOM 17502 C3* C B 814 76.954 -24.473 29.129 1.00 0.00 C ATOM 17503 O3* C B 814 75.751 -25.166 29.259 1.00 0.00 O ATOM 17504 C2* C B 814 78.126 -25.208 29.777 1.00 0.00 C ATOM 17505 O2* C B 814 78.084 -26.590 29.472 1.00 0.00 O ATOM 17506 C1* C B 814 79.314 -24.624 29.015 1.00 0.00 C ATOM 17507 N1 C B 814 79.944 -23.456 29.697 1.00 0.00 N ATOM 17508 C2 C B 814 80.725 -23.705 30.818 1.00 0.00 C ATOM 17509 O2 C B 814 80.863 -24.873 31.203 1.00 0.00 O ATOM 17510 N3 C B 814 81.308 -22.656 31.452 1.00 0.00 N ATOM 17511 C4 C B 814 81.136 -21.406 31.005 1.00 0.00 C ATOM 17512 N4 C B 814 81.726 -20.417 31.659 1.00 0.00 N ATOM 17513 C5 C B 814 80.335 -21.129 29.852 1.00 0.00 C ATOM 17514 C6 C B 814 79.760 -22.191 29.233 1.00 0.00 C ATOM 17515 P C B 815 74.709 -24.714 30.431 1.00 0.00 P ATOM 17516 O1P C B 815 73.372 -25.297 30.180 1.00 0.00 O ATOM 17517 O2P C B 815 74.749 -23.244 30.587 1.00 0.00 O ATOM 17518 O5* C B 815 75.374 -25.411 31.709 1.00 0.00 O ATOM 17519 C5* C B 815 75.516 -26.844 31.726 1.00 0.00 C ATOM 17520 C4* C B 815 76.276 -27.275 32.961 1.00 0.00 C ATOM 17521 O4* C B 815 77.651 -26.809 32.856 1.00 0.00 O ATOM 17522 C3* C B 815 75.789 -26.682 34.286 1.00 0.00 C ATOM 17523 O3* C B 815 74.725 -27.413 34.810 1.00 0.00 O ATOM 17524 C2* C B 815 77.042 -26.758 35.153 1.00 0.00 C ATOM 17525 O2* C B 815 77.264 -28.087 35.598 1.00 0.00 O ATOM 17526 C1* C B 815 78.137 -26.443 34.140 1.00 0.00 C ATOM 17527 N1 C B 815 78.512 -25.001 34.096 1.00 0.00 N ATOM 17528 C2 C B 815 79.273 -24.497 35.148 1.00 0.00 C ATOM 17529 O2 C B 815 79.602 -25.257 36.065 1.00 0.00 O ATOM 17530 N3 C B 815 79.627 -23.186 35.127 1.00 0.00 N ATOM 17531 C4 C B 815 79.249 -22.394 34.116 1.00 0.00 C ATOM 17532 N4 C B 815 79.621 -21.122 34.142 1.00 0.00 N ATOM 17533 C5 C B 815 78.469 -22.894 33.026 1.00 0.00 C ATOM 17534 C6 C B 815 78.125 -24.205 33.064 1.00 0.00 C ATOM 17535 P C B 816 73.562 -26.624 35.643 1.00 0.00 P ATOM 17536 O1P C B 816 72.366 -27.483 35.793 1.00 0.00 O ATOM 17537 O2P C B 816 73.329 -25.298 35.023 1.00 0.00 O ATOM 17538 O5* C B 816 74.279 -26.441 37.060 1.00 0.00 O ATOM 17539 C5* C B 816 74.679 -27.610 37.797 1.00 0.00 C ATOM 17540 C4* C B 816 75.446 -27.206 39.040 1.00 0.00 C ATOM 17541 O4* C B 816 76.718 -26.619 38.639 1.00 0.00 O ATOM 17542 C3* C B 816 74.794 -26.122 39.899 1.00 0.00 C ATOM 17543 O3* C B 816 73.859 -26.658 40.778 1.00 0.00 O ATOM 17544 C2* C B 816 76.000 -25.517 40.619 1.00 0.00 C ATOM 17545 O2* C B 816 76.438 -26.366 41.667 1.00 0.00 O ATOM 17546 C1* C B 816 77.066 -25.571 39.530 1.00 0.00 C ATOM 17547 N1 C B 816 77.177 -24.313 38.738 1.00 0.00 N ATOM 17548 C2 C B 816 77.784 -23.216 39.345 1.00 0.00 C ATOM 17549 O2 C B 816 78.199 -23.329 40.503 1.00 0.00 O ATOM 17550 N3 C B 816 77.893 -22.058 38.641 1.00 0.00 N ATOM 17551 C4 C B 816 77.430 -21.977 37.387 1.00 0.00 C ATOM 17552 N4 C B 816 77.562 -20.829 36.745 1.00 0.00 N ATOM 17553 C5 C B 816 76.804 -23.094 36.744 1.00 0.00 C ATOM 17554 C6 C B 816 76.704 -24.240 37.467 1.00 0.00 C ATOM 17555 P C B 817 72.534 -25.780 41.150 1.00 0.00 P ATOM 17556 O1P C B 817 71.509 -26.640 41.782 1.00 0.00 O ATOM 17557 O2P C B 817 72.096 -25.022 39.958 1.00 0.00 O ATOM 17558 O5* C B 817 73.140 -24.772 42.239 1.00 0.00 O ATOM 17559 C5* C B 817 73.708 -25.310 43.446 1.00 0.00 C ATOM 17560 C4* C B 817 74.329 -24.199 44.268 1.00 0.00 C ATOM 17561 O4* C B 817 75.491 -23.680 43.557 1.00 0.00 O ATOM 17562 C3* C B 817 73.453 -22.966 44.487 1.00 0.00 C ATOM 17563 O3* C B 817 72.588 -23.137 45.567 1.00 0.00 O ATOM 17564 C2* C B 817 74.491 -21.873 44.735 1.00 0.00 C ATOM 17565 O2* C B 817 75.026 -21.976 46.043 1.00 0.00 O ATOM 17566 C1* C B 817 75.602 -22.282 43.770 1.00 0.00 C ATOM 17567 N1 C B 817 75.522 -21.608 42.444 1.00 0.00 N ATOM 17568 C2 C B 817 75.889 -20.266 42.374 1.00 0.00 C ATOM 17569 O2 C B 817 76.264 -19.698 43.407 1.00 0.00 O ATOM 17570 N3 C B 817 75.822 -19.633 41.178 1.00 0.00 N ATOM 17571 C4 C B 817 75.409 -20.287 40.082 1.00 0.00 C ATOM 17572 N4 C B 817 75.363 -19.623 38.934 1.00 0.00 N ATOM 17573 C5 C B 817 75.028 -21.666 40.130 1.00 0.00 C ATOM 17574 C6 C B 817 75.103 -22.279 41.339 1.00 0.00 C ATOM 17575 P G B 818 71.727 -21.672 46.262 1.00 0.00 P ATOM 17576 O1P G B 818 71.550 -21.710 47.729 1.00 0.00 O ATOM 17577 O2P G B 818 70.482 -21.558 45.468 1.00 0.00 O ATOM 17578 O5* G B 818 72.925 -20.382 45.765 1.00 0.00 O ATOM 17579 C5* G B 818 73.215 -19.165 45.041 1.00 0.00 C ATOM 17580 C4* G B 818 71.935 -18.150 44.955 1.00 0.00 C ATOM 17581 O4* G B 818 70.823 -18.584 44.120 1.00 0.00 O ATOM 17582 C3* G B 818 71.260 -17.663 46.241 1.00 0.00 C ATOM 17583 O3* G B 818 72.171 -16.631 46.954 1.00 0.00 O ATOM 17584 C2* G B 818 69.972 -17.032 45.709 1.00 0.00 C ATOM 17585 O2* G B 818 70.240 -15.765 45.129 1.00 0.00 O ATOM 17586 C1* G B 818 69.619 -17.977 44.563 1.00 0.00 C ATOM 17587 N9 G B 818 68.498 -19.231 44.981 1.00 0.00 N ATOM 17588 C8 G B 818 68.586 -20.591 44.754 1.00 0.00 C ATOM 17589 N7 G B 818 67.494 -21.256 45.038 1.00 0.00 N ATOM 17590 C5 G B 818 66.614 -20.268 45.487 1.00 0.00 C ATOM 17591 C6 G B 818 65.275 -20.377 45.939 1.00 0.00 C ATOM 17592 O6 G B 818 64.573 -21.380 46.036 1.00 0.00 O ATOM 17593 N1 G B 818 64.753 -19.124 46.300 1.00 0.00 N ATOM 17594 C2 G B 818 65.442 -17.928 46.232 1.00 0.00 C ATOM 17595 N2 G B 818 64.769 -16.841 46.624 1.00 0.00 N ATOM 17596 N3 G B 818 66.700 -17.829 45.809 1.00 0.00 N ATOM 17597 C4 G B 818 67.220 -19.035 45.453 1.00 0.00 C ATOM 17598 P A B 819 72.735 -16.940 48.654 1.00 0.00 P ATOM 17599 O1P A B 819 74.138 -16.509 48.835 1.00 0.00 O ATOM 17600 O2P A B 819 72.406 -18.293 49.157 1.00 0.00 O ATOM 17601 O5* A B 819 71.554 -15.687 49.236 1.00 0.00 O ATOM 17602 C5* A B 819 70.404 -15.783 50.080 1.00 0.00 C ATOM 17603 C4* A B 819 69.168 -14.792 49.739 1.00 0.00 C ATOM 17604 O4* A B 819 69.421 -13.624 48.910 1.00 0.00 O ATOM 17605 C3* A B 819 67.838 -15.336 49.219 1.00 0.00 C ATOM 17606 O3* A B 819 67.211 -16.570 49.856 1.00 0.00 O ATOM 17607 C2* A B 819 67.081 -14.050 48.869 1.00 0.00 C ATOM 17608 O2* A B 819 66.598 -13.418 50.041 1.00 0.00 O ATOM 17609 C1* A B 819 68.207 -13.174 48.325 1.00 0.00 C ATOM 17610 N9 A B 819 68.380 -13.212 46.644 1.00 0.00 N ATOM 17611 C8 A B 819 68.021 -14.215 45.769 1.00 0.00 C ATOM 17612 N7 A B 819 68.468 -14.046 44.562 1.00 0.00 N ATOM 17613 C5 A B 819 69.170 -12.852 44.625 1.00 0.00 C ATOM 17614 C6 A B 819 69.881 -12.118 43.661 1.00 0.00 C ATOM 17615 N6 A B 819 70.011 -12.503 42.384 1.00 0.00 N ATOM 17616 N1 A B 819 70.460 -10.970 44.060 1.00 0.00 N ATOM 17617 C2 A B 819 70.328 -10.588 45.336 1.00 0.00 C ATOM 17618 N3 A B 819 69.690 -11.190 46.317 1.00 0.00 N ATOM 17619 C4 A B 819 69.117 -12.337 45.888 1.00 0.00 C ATOM 17620 P A B 820 65.626 -16.434 50.766 1.00 0.00 P ATOM 17621 O1P A B 820 65.691 -15.448 51.865 1.00 0.00 O ATOM 17622 O2P A B 820 65.139 -17.783 51.135 1.00 0.00 O ATOM 17623 O5* A B 820 64.721 -15.751 49.336 1.00 0.00 O ATOM 17624 C5* A B 820 63.712 -14.742 49.111 1.00 0.00 C ATOM 17625 C4* A B 820 64.088 -13.670 47.942 1.00 0.00 C ATOM 17626 O4* A B 820 65.167 -14.098 47.064 1.00 0.00 O ATOM 17627 C3* A B 820 63.059 -13.063 46.988 1.00 0.00 C ATOM 17628 O3* A B 820 61.747 -12.439 47.571 1.00 0.00 O ATOM 17629 C2* A B 820 63.949 -12.399 45.936 1.00 0.00 C ATOM 17630 O2* A B 820 64.497 -11.189 46.431 1.00 0.00 O ATOM 17631 C1* A B 820 65.096 -13.399 45.832 1.00 0.00 C ATOM 17632 N9 A B 820 64.932 -14.559 44.555 1.00 0.00 N ATOM 17633 C8 A B 820 65.849 -14.898 43.586 1.00 0.00 C ATOM 17634 N7 A B 820 65.514 -15.930 42.878 1.00 0.00 N ATOM 17635 C5 A B 820 64.288 -16.313 43.404 1.00 0.00 C ATOM 17636 C6 A B 820 63.403 -17.356 43.085 1.00 0.00 C ATOM 17637 N6 A B 820 63.629 -18.245 42.107 1.00 0.00 N ATOM 17638 N1 A B 820 62.269 -17.449 43.805 1.00 0.00 N ATOM 17639 C2 A B 820 62.048 -16.562 44.776 1.00 0.00 C ATOM 17640 N3 A B 820 62.800 -15.557 45.165 1.00 0.00 N ATOM 17641 C4 A B 820 63.926 -15.485 44.429 1.00 0.00 C ATOM 17642 P A B 821 61.342 -10.657 47.898 1.00 0.00 P ATOM 17643 O1P A B 821 61.710 -9.819 46.734 1.00 0.00 O ATOM 17644 O2P A B 821 61.907 -10.237 49.203 1.00 0.00 O ATOM 17645 O5* A B 821 59.477 -10.763 48.042 1.00 0.00 O ATOM 17646 C5* A B 821 58.095 -10.801 48.638 1.00 0.00 C ATOM 17647 C4* A B 821 56.725 -10.123 47.954 1.00 0.00 C ATOM 17648 O4* A B 821 56.792 -9.962 46.508 1.00 0.00 O ATOM 17649 C3* A B 821 55.271 -10.529 48.209 1.00 0.00 C ATOM 17650 O3* A B 821 54.815 -10.397 49.695 1.00 0.00 O ATOM 17651 C2* A B 821 54.518 -9.712 47.156 1.00 0.00 C ATOM 17652 O2* A B 821 54.419 -8.352 47.551 1.00 0.00 O ATOM 17653 C1* A B 821 55.490 -9.762 45.982 1.00 0.00 C ATOM 17654 N9 A B 821 55.176 -10.983 44.860 1.00 0.00 N ATOM 17655 C8 A B 821 54.277 -12.016 44.954 1.00 0.00 C ATOM 17656 N7 A B 821 54.359 -12.875 43.987 1.00 0.00 N ATOM 17657 C5 A B 821 55.387 -12.386 43.192 1.00 0.00 C ATOM 17658 C6 A B 821 55.965 -12.847 42.004 1.00 0.00 C ATOM 17659 N6 A B 821 55.575 -13.967 41.372 1.00 0.00 N ATOM 17660 N1 A B 821 56.973 -12.121 41.478 1.00 0.00 N ATOM 17661 C2 A B 821 57.356 -11.012 42.106 1.00 0.00 C ATOM 17662 N3 A B 821 56.892 -10.484 43.221 1.00 0.00 N ATOM 17663 C4 A B 821 55.888 -11.231 43.723 1.00 0.00 C ATOM 17664 P G B 822 53.649 -9.263 50.625 1.00 0.00 P ATOM 17665 O1P G B 822 53.593 -10.028 51.892 1.00 0.00 O ATOM 17666 O2P G B 822 52.346 -8.826 50.076 1.00 0.00 O ATOM 17667 O5* G B 822 54.614 -7.997 50.802 1.00 0.00 O ATOM 17668 C5* G B 822 55.106 -7.674 52.113 1.00 0.00 C ATOM 17669 C4* G B 822 56.093 -6.526 52.030 1.00 0.00 C ATOM 17670 O4* G B 822 57.290 -6.985 51.334 1.00 0.00 O ATOM 17671 C3* G B 822 55.639 -5.314 51.219 1.00 0.00 C ATOM 17672 O3* G B 822 54.861 -4.449 51.985 1.00 0.00 O ATOM 17673 C2* G B 822 56.969 -4.695 50.795 1.00 0.00 C ATOM 17674 O2* G B 822 57.564 -3.996 51.878 1.00 0.00 O ATOM 17675 C1* G B 822 57.822 -5.934 50.544 1.00 0.00 C ATOM 17676 N9 G B 822 57.821 -6.379 49.124 1.00 0.00 N ATOM 17677 C8 G B 822 57.188 -7.458 48.549 1.00 0.00 C ATOM 17678 N7 G B 822 57.393 -7.573 47.260 1.00 0.00 N ATOM 17679 C5 G B 822 58.224 -6.494 46.957 1.00 0.00 C ATOM 17680 C6 G B 822 58.786 -6.093 45.719 1.00 0.00 C ATOM 17681 O6 G B 822 58.665 -6.612 44.613 1.00 0.00 O ATOM 17682 N1 G B 822 59.570 -4.939 45.864 1.00 0.00 N ATOM 17683 C2 G B 822 59.783 -4.264 47.050 1.00 0.00 C ATOM 17684 N2 G B 822 60.563 -3.183 46.978 1.00 0.00 N ATOM 17685 N3 G B 822 59.255 -4.643 48.212 1.00 0.00 N ATOM 17686 C4 G B 822 58.491 -5.760 48.089 1.00 0.00 C ATOM 17687 P C B 823 53.649 -3.632 51.256 1.00 0.00 P ATOM 17688 O1P C B 823 52.730 -3.070 52.272 1.00 0.00 O ATOM 17689 O2P C B 823 53.025 -4.487 50.225 1.00 0.00 O ATOM 17690 O5* C B 823 54.466 -2.449 50.555 1.00 0.00 O ATOM 17691 C5* C B 823 55.230 -1.542 51.375 1.00 0.00 C ATOM 17692 C4* C B 823 56.015 -0.587 50.500 1.00 0.00 C ATOM 17693 O4* C B 823 57.047 -1.337 49.795 1.00 0.00 O ATOM 17694 C3* C B 823 55.227 0.099 49.383 1.00 0.00 C ATOM 17695 O3* C B 823 54.567 1.232 49.847 1.00 0.00 O ATOM 17696 C2* C B 823 56.325 0.426 48.373 1.00 0.00 C ATOM 17697 O2* C B 823 57.082 1.548 48.800 1.00 0.00 O ATOM 17698 C1* C B 823 57.231 -0.795 48.495 1.00 0.00 C ATOM 17699 N1 C B 823 56.932 -1.864 47.503 1.00 0.00 N ATOM 17700 C2 C B 823 57.317 -1.649 46.183 1.00 0.00 C ATOM 17701 O2 C B 823 57.889 -0.593 45.892 1.00 0.00 O ATOM 17702 N3 C B 823 57.055 -2.613 45.263 1.00 0.00 N ATOM 17703 C4 C B 823 56.435 -3.746 45.617 1.00 0.00 C ATOM 17704 N4 C B 823 56.202 -4.654 44.682 1.00 0.00 N ATOM 17705 C5 C B 823 56.031 -3.984 46.970 1.00 0.00 C ATOM 17706 C6 C B 823 56.304 -3.011 47.876 1.00 0.00 C ATOM 17707 P U B 824 53.122 1.621 49.191 1.00 0.00 P ATOM 17708 O1P U B 824 52.423 2.609 50.045 1.00 0.00 O ATOM 17709 O2P U B 824 52.368 0.382 48.892 1.00 0.00 O ATOM 17710 O5* U B 824 53.588 2.318 47.827 1.00 0.00 O ATOM 17711 C5* U B 824 54.414 3.492 47.892 1.00 0.00 C ATOM 17712 C4* U B 824 54.836 3.906 46.496 1.00 0.00 C ATOM 17713 O4* U B 824 55.740 2.898 45.959 1.00 0.00 O ATOM 17714 C3* U B 824 53.716 3.986 45.458 1.00 0.00 C ATOM 17715 O3* U B 824 53.058 5.213 45.507 1.00 0.00 O ATOM 17716 C2* U B 824 54.479 3.778 44.148 1.00 0.00 C ATOM 17717 O2* U B 824 55.173 4.957 43.781 1.00 0.00 O ATOM 17718 C1* U B 824 55.528 2.753 44.564 1.00 0.00 C ATOM 17719 N1 U B 824 55.123 1.343 44.303 1.00 0.00 N ATOM 17720 C2 U B 824 55.143 0.917 42.995 1.00 0.00 C ATOM 17721 O2 U B 824 55.473 1.639 42.069 1.00 0.00 O ATOM 17722 N3 U B 824 54.762 -0.395 42.794 1.00 0.00 N ATOM 17723 C4 U B 824 54.373 -1.292 43.765 1.00 0.00 C ATOM 17724 O4 U B 824 54.053 -2.445 43.462 1.00 0.00 O ATOM 17725 C5 U B 824 54.381 -0.754 45.105 1.00 0.00 C ATOM 17726 C6 U B 824 54.748 0.519 45.329 1.00 0.00 C ATOM 17727 P A B 825 51.460 5.260 45.178 1.00 0.00 P ATOM 17728 O1P A B 825 50.880 6.544 45.636 1.00 0.00 O ATOM 17729 O2P A B 825 50.811 4.038 45.706 1.00 0.00 O ATOM 17730 O5* A B 825 51.482 5.214 43.581 1.00 0.00 O ATOM 17731 C5* A B 825 52.147 6.268 42.858 1.00 0.00 C ATOM 17732 C4* A B 825 52.154 5.961 41.377 1.00 0.00 C ATOM 17733 O4* A B 825 53.010 4.807 41.137 1.00 0.00 O ATOM 17734 C3* A B 825 50.809 5.551 40.775 1.00 0.00 C ATOM 17735 O3* A B 825 50.039 6.661 40.435 1.00 0.00 O ATOM 17736 C2* A B 825 51.238 4.736 39.558 1.00 0.00 C ATOM 17737 O2* A B 825 51.673 5.588 38.509 1.00 0.00 O ATOM 17738 C1* A B 825 52.475 4.021 40.088 1.00 0.00 C ATOM 17739 N9 A B 825 52.194 2.660 40.628 1.00 0.00 N ATOM 17740 C8 A B 825 52.148 2.243 41.941 1.00 0.00 C ATOM 17741 N7 A B 825 51.873 0.982 42.082 1.00 0.00 N ATOM 17742 C5 A B 825 51.723 0.523 40.780 1.00 0.00 C ATOM 17743 C6 A B 825 51.422 -0.742 40.253 1.00 0.00 C ATOM 17744 N6 A B 825 51.210 -1.827 41.010 1.00 0.00 N ATOM 17745 N1 A B 825 51.350 -0.851 38.913 1.00 0.00 N ATOM 17746 C2 A B 825 51.564 0.233 38.166 1.00 0.00 C ATOM 17747 N3 A B 825 51.850 1.459 38.547 1.00 0.00 N ATOM 17748 C4 A B 825 51.918 1.541 39.891 1.00 0.00 C ATOM 17749 P U B 826 48.417 6.566 40.580 1.00 0.00 P ATOM 17750 O1P U B 826 47.819 7.918 40.532 1.00 0.00 O ATOM 17751 O2P U B 826 48.074 5.750 41.767 1.00 0.00 O ATOM 17752 O5* U B 826 48.044 5.764 39.246 1.00 0.00 O ATOM 17753 C5* U B 826 48.374 6.341 37.969 1.00 0.00 C ATOM 17754 C4* U B 826 48.050 5.362 36.860 1.00 0.00 C ATOM 17755 O4* U B 826 48.953 4.225 36.950 1.00 0.00 O ATOM 17756 C3* U B 826 46.655 4.730 36.915 1.00 0.00 C ATOM 17757 O3* U B 826 45.698 5.554 36.328 1.00 0.00 O ATOM 17758 C2* U B 826 46.864 3.428 36.144 1.00 0.00 C ATOM 17759 O2* U B 826 46.918 3.672 34.749 1.00 0.00 O ATOM 17760 C1* U B 826 48.273 3.036 36.577 1.00 0.00 C ATOM 17761 N1 U B 826 48.303 2.105 37.738 1.00 0.00 N ATOM 17762 C2 U B 826 47.951 0.797 37.503 1.00 0.00 C ATOM 17763 O2 U B 826 47.625 0.388 36.401 1.00 0.00 O ATOM 17764 N3 U B 826 47.992 -0.037 38.601 1.00 0.00 N ATOM 17765 C4 U B 826 48.346 0.319 39.888 1.00 0.00 C ATOM 17766 O4 U B 826 48.342 -0.520 40.793 1.00 0.00 O ATOM 17767 C5 U B 826 48.695 1.709 40.038 1.00 0.00 C ATOM 17768 C6 U B 826 48.667 2.545 38.984 1.00 0.00 C ATOM 17769 P U B 827 44.736 6.476 37.583 1.00 0.00 P ATOM 17770 O1P U B 827 43.689 7.309 36.947 1.00 0.00 O ATOM 17771 O2P U B 827 45.588 7.162 38.579 1.00 0.00 O ATOM 17772 O5* U B 827 44.052 4.927 38.241 1.00 0.00 O ATOM 17773 C5* U B 827 43.129 4.712 39.312 1.00 0.00 C ATOM 17774 C4* U B 827 42.281 3.350 39.178 1.00 0.00 C ATOM 17775 O4* U B 827 41.611 3.002 37.929 1.00 0.00 O ATOM 17776 C3* U B 827 42.703 2.001 39.757 1.00 0.00 C ATOM 17777 O3* U B 827 43.326 1.959 41.157 1.00 0.00 O ATOM 17778 C2* U B 827 41.542 1.098 39.346 1.00 0.00 C ATOM 17779 O2* U B 827 40.414 1.324 40.178 1.00 0.00 O ATOM 17780 C1* U B 827 41.195 1.647 37.970 1.00 0.00 C ATOM 17781 N1 U B 827 41.928 0.821 36.669 1.00 0.00 N ATOM 17782 C2 U B 827 41.349 -0.360 36.272 1.00 0.00 C ATOM 17783 O2 U B 827 40.410 -0.868 36.864 1.00 0.00 O ATOM 17784 N3 U B 827 41.901 -0.951 35.155 1.00 0.00 N ATOM 17785 C4 U B 827 42.963 -0.472 34.416 1.00 0.00 C ATOM 17786 O4 U B 827 43.370 -1.088 33.430 1.00 0.00 O ATOM 17787 C5 U B 827 43.506 0.775 34.904 1.00 0.00 C ATOM 17788 C6 U B 827 42.984 1.370 35.994 1.00 0.00 C ATOM 17789 P U B 828 45.108 2.410 41.162 1.00 0.00 P ATOM 17790 O1P U B 828 45.344 3.827 41.518 1.00 0.00 O ATOM 17791 O2P U B 828 45.738 1.948 39.909 1.00 0.00 O ATOM 17792 O5* U B 828 45.527 1.306 42.548 1.00 0.00 O ATOM 17793 C5* U B 828 45.957 0.563 43.694 1.00 0.00 C ATOM 17794 C4* U B 828 44.727 -0.268 44.356 1.00 0.00 C ATOM 17795 O4* U B 828 43.396 0.132 43.917 1.00 0.00 O ATOM 17796 C3* U B 828 44.671 -1.797 44.344 1.00 0.00 C ATOM 17797 O3* U B 828 45.772 -2.473 45.172 1.00 0.00 O ATOM 17798 C2* U B 828 43.240 -2.067 44.797 1.00 0.00 C ATOM 17799 O2* U B 828 43.109 -1.875 46.195 1.00 0.00 O ATOM 17800 C1* U B 828 42.481 -0.933 44.116 1.00 0.00 C ATOM 17801 N1 U B 828 41.798 -1.338 42.615 1.00 0.00 N ATOM 17802 C2 U B 828 40.524 -1.857 42.628 1.00 0.00 C ATOM 17803 O2 U B 828 39.910 -2.077 43.658 1.00 0.00 O ATOM 17804 N3 U B 828 39.975 -2.113 41.388 1.00 0.00 N ATOM 17805 C4 U B 828 40.582 -1.895 40.166 1.00 0.00 C ATOM 17806 O4 U B 828 39.988 -2.168 39.117 1.00 0.00 O ATOM 17807 C5 U B 828 41.916 -1.355 40.254 1.00 0.00 C ATOM 17808 C6 U B 828 42.472 -1.098 41.450 1.00 0.00 C ATOM 17809 P A B 829 47.015 -3.446 44.263 1.00 0.00 P ATOM 17810 O1P A B 829 48.386 -2.950 44.505 1.00 0.00 O ATOM 17811 O2P A B 829 46.655 -3.676 42.843 1.00 0.00 O ATOM 17812 O5* A B 829 46.626 -4.862 45.328 1.00 0.00 O ATOM 17813 C5* A B 829 46.202 -5.425 46.575 1.00 0.00 C ATOM 17814 C4* A B 829 44.809 -6.255 46.487 1.00 0.00 C ATOM 17815 O4* A B 829 43.561 -5.509 46.498 1.00 0.00 O ATOM 17816 C3* A B 829 44.554 -7.390 45.494 1.00 0.00 C ATOM 17817 O3* A B 829 45.557 -8.545 45.466 1.00 0.00 O ATOM 17818 C2* A B 829 43.084 -7.714 45.752 1.00 0.00 C ATOM 17819 O2* A B 829 42.936 -8.460 46.945 1.00 0.00 O ATOM 17820 C1* A B 829 42.508 -6.325 46.020 1.00 0.00 C ATOM 17821 N9 A B 829 41.827 -5.576 44.674 1.00 0.00 N ATOM 17822 C8 A B 829 42.368 -4.591 43.878 1.00 0.00 C ATOM 17823 N7 A B 829 41.650 -4.306 42.832 1.00 0.00 N ATOM 17824 C5 A B 829 40.557 -5.158 42.938 1.00 0.00 C ATOM 17825 C6 A B 829 39.428 -5.347 42.128 1.00 0.00 C ATOM 17826 N6 A B 829 39.198 -4.658 41.000 1.00 0.00 N ATOM 17827 N1 A B 829 38.534 -6.277 42.518 1.00 0.00 N ATOM 17828 C2 A B 829 38.765 -6.960 43.637 1.00 0.00 C ATOM 17829 N3 A B 829 39.780 -6.871 44.470 1.00 0.00 N ATOM 17830 C4 A B 829 40.661 -5.937 44.053 1.00 0.00 C ATOM 17831 P G B 830 46.936 -8.330 44.282 1.00 0.00 P ATOM 17832 O1P G B 830 48.160 -9.030 44.737 1.00 0.00 O ATOM 17833 O2P G B 830 47.110 -6.918 43.883 1.00 0.00 O ATOM 17834 O5* G B 830 46.049 -9.297 43.025 1.00 0.00 O ATOM 17835 C5* G B 830 45.380 -10.488 42.587 1.00 0.00 C ATOM 17836 C4* G B 830 44.169 -10.252 41.523 1.00 0.00 C ATOM 17837 O4* G B 830 43.226 -9.189 41.836 1.00 0.00 O ATOM 17838 C3* G B 830 44.463 -10.064 40.038 1.00 0.00 C ATOM 17839 O3* G B 830 45.081 -11.377 39.587 1.00 0.00 O ATOM 17840 C2* G B 830 43.110 -9.608 39.501 1.00 0.00 C ATOM 17841 O2* G B 830 42.218 -10.703 39.387 1.00 0.00 O ATOM 17842 C1* G B 830 42.599 -8.737 40.643 1.00 0.00 C ATOM 17843 N9 G B 830 42.926 -7.051 40.465 1.00 0.00 N ATOM 17844 C8 G B 830 43.701 -6.228 41.249 1.00 0.00 C ATOM 17845 N7 G B 830 43.814 -5.005 40.789 1.00 0.00 N ATOM 17846 C5 G B 830 43.060 -5.020 39.617 1.00 0.00 C ATOM 17847 C6 G B 830 42.809 -3.985 38.679 1.00 0.00 C ATOM 17848 O6 G B 830 43.206 -2.824 38.691 1.00 0.00 O ATOM 17849 N1 G B 830 41.993 -4.434 37.628 1.00 0.00 N ATOM 17850 C2 G B 830 41.485 -5.710 37.507 1.00 0.00 C ATOM 17851 N2 G B 830 40.724 -5.939 36.433 1.00 0.00 N ATOM 17852 N3 G B 830 41.725 -6.682 38.386 1.00 0.00 N ATOM 17853 C4 G B 830 42.515 -6.261 39.409 1.00 0.00 C ATOM 17854 P G B 831 46.848 -11.375 39.936 1.00 0.00 P ATOM 17855 O1P G B 831 47.415 -12.712 39.665 1.00 0.00 O ATOM 17856 O2P G B 831 47.404 -10.664 41.108 1.00 0.00 O ATOM 17857 O5* G B 831 46.976 -10.456 38.633 1.00 0.00 O ATOM 17858 C5* G B 831 46.413 -10.920 37.392 1.00 0.00 C ATOM 17859 C4* G B 831 46.541 -9.846 36.330 1.00 0.00 C ATOM 17860 O4* G B 831 45.677 -8.729 36.684 1.00 0.00 O ATOM 17861 C3* G B 831 47.926 -9.213 36.187 1.00 0.00 C ATOM 17862 O3* G B 831 48.755 -9.976 35.369 1.00 0.00 O ATOM 17863 C2* G B 831 47.590 -7.851 35.584 1.00 0.00 C ATOM 17864 O2* G B 831 47.282 -7.973 34.203 1.00 0.00 O ATOM 17865 C1* G B 831 46.287 -7.508 36.298 1.00 0.00 C ATOM 17866 N9 G B 831 46.478 -6.682 37.522 1.00 0.00 N ATOM 17867 C8 G B 831 46.384 -7.052 38.845 1.00 0.00 C ATOM 17868 N7 G B 831 46.611 -6.076 39.689 1.00 0.00 N ATOM 17869 C5 G B 831 46.872 -4.979 38.866 1.00 0.00 C ATOM 17870 C6 G B 831 47.186 -3.635 39.203 1.00 0.00 C ATOM 17871 O6 G B 831 47.300 -3.129 40.315 1.00 0.00 O ATOM 17872 N1 G B 831 47.375 -2.852 38.058 1.00 0.00 N ATOM 17873 C2 G B 831 47.275 -3.303 36.756 1.00 0.00 C ATOM 17874 N2 G B 831 47.492 -2.398 35.801 1.00 0.00 N ATOM 17875 N3 G B 831 46.979 -4.563 36.440 1.00 0.00 N ATOM 17876 C4 G B 831 46.792 -5.339 37.541 1.00 0.00 C ATOM 17877 P U B 832 50.354 -10.022 35.695 1.00 0.00 P ATOM 17878 O1P U B 832 50.991 -11.143 34.969 1.00 0.00 O ATOM 17879 O2P U B 832 50.555 -10.004 37.160 1.00 0.00 O ATOM 17880 O5* U B 832 50.828 -8.628 35.065 1.00 0.00 O ATOM 17881 C5* U B 832 50.637 -8.398 33.658 1.00 0.00 C ATOM 17882 C4* U B 832 51.038 -6.979 33.305 1.00 0.00 C ATOM 17883 O4* U B 832 50.099 -6.054 33.923 1.00 0.00 O ATOM 17884 C3* U B 832 52.401 -6.527 33.833 1.00 0.00 C ATOM 17885 O3* U B 832 53.435 -6.919 32.986 1.00 0.00 O ATOM 17886 C2* U B 832 52.231 -5.008 33.890 1.00 0.00 C ATOM 17887 O2* U B 832 52.322 -4.442 32.591 1.00 0.00 O ATOM 17888 C1* U B 832 50.777 -4.876 34.329 1.00 0.00 C ATOM 17889 N1 U B 832 50.610 -4.738 35.802 1.00 0.00 N ATOM 17890 C2 U B 832 50.943 -3.526 36.361 1.00 0.00 C ATOM 17891 O2 U B 832 51.361 -2.589 35.703 1.00 0.00 O ATOM 17892 N3 U B 832 50.775 -3.434 37.727 1.00 0.00 N ATOM 17893 C4 U B 832 50.311 -4.429 38.564 1.00 0.00 C ATOM 17894 O4 U B 832 50.202 -4.226 39.776 1.00 0.00 O ATOM 17895 C5 U B 832 49.987 -5.664 37.888 1.00 0.00 C ATOM 17896 C6 U B 832 50.141 -5.781 36.561 1.00 0.00 C ATOM 17897 P A B 833 54.881 -7.304 33.638 1.00 0.00 P ATOM 17898 O1P A B 833 55.710 -8.033 32.653 1.00 0.00 O ATOM 17899 O2P A B 833 54.669 -7.989 34.932 1.00 0.00 O ATOM 17900 O5* A B 833 55.495 -5.847 33.889 1.00 0.00 O ATOM 17901 C5* A B 833 55.702 -4.973 32.766 1.00 0.00 C ATOM 17902 C4* A B 833 56.168 -3.614 33.246 1.00 0.00 C ATOM 17903 O4* A B 833 55.080 -2.969 33.972 1.00 0.00 O ATOM 17904 C3* A B 833 57.324 -3.621 34.248 1.00 0.00 C ATOM 17905 O3* A B 833 58.556 -3.703 33.604 1.00 0.00 O ATOM 17906 C2* A B 833 57.125 -2.294 34.975 1.00 0.00 C ATOM 17907 O2* A B 833 57.563 -1.211 34.174 1.00 0.00 O ATOM 17908 C1* A B 833 55.603 -2.205 35.047 1.00 0.00 C ATOM 17909 N9 A B 833 55.032 -2.742 36.313 1.00 0.00 N ATOM 17910 C8 A B 833 54.356 -3.923 36.527 1.00 0.00 C ATOM 17911 N7 A B 833 53.984 -4.099 37.759 1.00 0.00 N ATOM 17912 C5 A B 833 54.439 -2.964 38.413 1.00 0.00 C ATOM 17913 C6 A B 833 54.358 -2.543 39.749 1.00 0.00 C ATOM 17914 N6 A B 833 53.758 -3.259 40.714 1.00 0.00 N ATOM 17915 N1 A B 833 54.915 -1.359 40.064 1.00 0.00 N ATOM 17916 C2 A B 833 55.508 -0.655 39.102 1.00 0.00 C ATOM 17917 N3 A B 833 55.647 -0.943 37.825 1.00 0.00 N ATOM 17918 C4 A B 833 55.078 -2.134 37.538 1.00 0.00 C ATOM 17919 P G B 834 59.768 -4.520 34.333 1.00 0.00 P ATOM 17920 O1P G B 834 60.848 -4.807 33.361 1.00 0.00 O ATOM 17921 O2P G B 834 59.213 -5.693 35.044 1.00 0.00 O ATOM 17922 O5* G B 834 60.271 -3.431 35.393 1.00 0.00 O ATOM 17923 C5* G B 834 60.767 -2.168 34.913 1.00 0.00 C ATOM 17924 C4* G B 834 61.067 -1.252 36.083 1.00 0.00 C ATOM 17925 O4* G B 834 59.814 -0.888 36.727 1.00 0.00 O ATOM 17926 C3* G B 834 61.900 -1.861 37.210 1.00 0.00 C ATOM 17927 O3* G B 834 63.265 -1.785 36.937 1.00 0.00 O ATOM 17928 C2* G B 834 61.493 -1.005 38.407 1.00 0.00 C ATOM 17929 O2* G B 834 62.122 0.262 38.358 1.00 0.00 O ATOM 17930 C1* G B 834 60.009 -0.775 38.127 1.00 0.00 C ATOM 17931 N9 G B 834 59.114 -1.761 38.799 1.00 0.00 N ATOM 17932 C8 G B 834 58.418 -2.817 38.249 1.00 0.00 C ATOM 17933 N7 G B 834 57.714 -3.500 39.121 1.00 0.00 N ATOM 17934 C5 G B 834 57.960 -2.849 40.330 1.00 0.00 C ATOM 17935 C6 G B 834 57.477 -3.129 41.633 1.00 0.00 C ATOM 17936 O6 G B 834 56.714 -4.021 41.998 1.00 0.00 O ATOM 17937 N1 G B 834 57.980 -2.218 42.573 1.00 0.00 N ATOM 17938 C2 G B 834 58.839 -1.176 42.290 1.00 0.00 C ATOM 17939 N2 G B 834 59.204 -0.419 43.327 1.00 0.00 N ATOM 17940 N3 G B 834 59.293 -0.915 41.067 1.00 0.00 N ATOM 17941 C4 G B 834 58.814 -1.788 40.143 1.00 0.00 C ATOM 17942 P C B 835 64.236 -2.987 37.464 1.00 0.00 P ATOM 17943 O1P C B 835 65.547 -2.923 36.778 1.00 0.00 O ATOM 17944 O2P C B 835 63.521 -4.279 37.368 1.00 0.00 O ATOM 17945 O5* C B 835 64.409 -2.580 39.001 1.00 0.00 O ATOM 17946 C5* C B 835 65.004 -1.310 39.324 1.00 0.00 C ATOM 17947 C4* C B 835 64.956 -1.077 40.821 1.00 0.00 C ATOM 17948 O4* C B 835 63.569 -0.905 41.225 1.00 0.00 O ATOM 17949 C3* C B 835 65.450 -2.237 41.692 1.00 0.00 C ATOM 17950 O3* C B 835 66.839 -2.212 41.835 1.00 0.00 O ATOM 17951 C2* C B 835 64.716 -1.988 43.004 1.00 0.00 C ATOM 17952 O2* C B 835 65.320 -0.924 43.724 1.00 0.00 O ATOM 17953 C1* C B 835 63.367 -1.475 42.509 1.00 0.00 C ATOM 17954 N1 C B 835 62.334 -2.541 42.380 1.00 0.00 N ATOM 17955 C2 C B 835 61.768 -3.044 43.549 1.00 0.00 C ATOM 17956 O2 C B 835 62.144 -2.587 44.635 1.00 0.00 O ATOM 17957 N3 C B 835 60.826 -4.013 43.455 1.00 0.00 N ATOM 17958 C4 C B 835 60.447 -4.481 42.258 1.00 0.00 C ATOM 17959 N4 C B 835 59.522 -5.428 42.218 1.00 0.00 N ATOM 17960 C5 C B 835 61.015 -3.980 41.043 1.00 0.00 C ATOM 17961 C6 C B 835 61.956 -3.010 41.160 1.00 0.00 C ATOM 17962 P G B 836 68.091 -1.612 40.577 1.00 0.00 P ATOM 17963 O1P G B 836 67.320 -1.561 39.313 1.00 0.00 O ATOM 17964 O2P G B 836 69.320 -2.432 40.552 1.00 0.00 O ATOM 17965 O5* G B 836 68.607 0.122 41.122 1.00 0.00 O ATOM 17966 C5* G B 836 69.734 1.139 41.345 1.00 0.00 C ATOM 17967 C4* G B 836 69.906 2.712 40.746 1.00 0.00 C ATOM 17968 O4* G B 836 70.430 3.784 41.588 1.00 0.00 O ATOM 17969 C3* G B 836 70.221 3.175 39.324 1.00 0.00 C ATOM 17970 O3* G B 836 69.708 2.740 37.975 1.00 0.00 O ATOM 17971 C2* G B 836 70.015 4.686 39.426 1.00 0.00 C ATOM 17972 O2* G B 836 68.636 5.009 39.441 1.00 0.00 O ATOM 17973 C1* G B 836 70.556 4.975 40.825 1.00 0.00 C ATOM 17974 N9 G B 836 72.208 5.477 40.869 1.00 0.00 N ATOM 17975 C8 G B 836 73.273 4.911 41.531 1.00 0.00 C ATOM 17976 N7 G B 836 74.402 5.557 41.379 1.00 0.00 N ATOM 17977 C5 G B 836 74.063 6.630 40.558 1.00 0.00 C ATOM 17978 C6 G B 836 74.867 7.679 40.044 1.00 0.00 C ATOM 17979 O6 G B 836 76.067 7.887 40.214 1.00 0.00 O ATOM 17980 N1 G B 836 74.116 8.558 39.251 1.00 0.00 N ATOM 17981 C2 G B 836 72.766 8.438 38.988 1.00 0.00 C ATOM 17982 N2 G B 836 72.234 9.379 38.205 1.00 0.00 N ATOM 17983 N3 G B 836 72.011 7.452 39.468 1.00 0.00 N ATOM 17984 C4 G B 836 72.724 6.589 40.244 1.00 0.00 C ATOM 17985 P C B 837 71.001 2.989 36.708 1.00 0.00 P ATOM 17986 O1P C B 837 70.896 1.957 35.653 1.00 0.00 O ATOM 17987 O2P C B 837 72.343 3.165 37.306 1.00 0.00 O ATOM 17988 O5* C B 837 70.307 4.577 36.147 1.00 0.00 O ATOM 17989 C5* C B 837 70.183 5.499 35.050 1.00 0.00 C ATOM 17990 C4* C B 837 68.632 5.908 34.768 1.00 0.00 C ATOM 17991 O4* C B 837 67.963 6.204 36.025 1.00 0.00 O ATOM 17992 C3* C B 837 68.232 7.069 33.858 1.00 0.00 C ATOM 17993 O3* C B 837 68.459 6.849 32.307 1.00 0.00 O ATOM 17994 C2* C B 837 66.797 7.341 34.295 1.00 0.00 C ATOM 17995 O2* C B 837 65.912 6.369 33.771 1.00 0.00 O ATOM 17996 C1* C B 837 66.883 7.099 35.799 1.00 0.00 C ATOM 17997 N1 C B 837 67.142 8.493 36.725 1.00 0.00 N ATOM 17998 C2 C B 837 66.170 9.485 36.682 1.00 0.00 C ATOM 17999 O2 C B 837 65.196 9.338 35.937 1.00 0.00 O ATOM 18000 N3 C B 837 66.326 10.586 37.466 1.00 0.00 N ATOM 18001 C4 C B 837 67.397 10.711 38.259 1.00 0.00 C ATOM 18002 N4 C B 837 67.506 11.801 39.004 1.00 0.00 N ATOM 18003 C5 C B 837 68.408 9.695 38.318 1.00 0.00 C ATOM 18004 C6 C B 837 68.234 8.605 37.528 1.00 0.00 C ATOM 18005 P C B 838 69.264 7.956 31.074 1.00 0.00 P ATOM 18006 O1P C B 838 68.367 8.802 30.251 1.00 0.00 O ATOM 18007 O2P C B 838 70.320 7.230 30.329 1.00 0.00 O ATOM 18008 O5* C B 838 69.925 8.834 32.234 1.00 0.00 O ATOM 18009 C5* C B 838 69.482 8.645 33.589 1.00 0.00 C ATOM 18010 C4* C B 838 70.320 9.480 34.533 1.00 0.00 C ATOM 18011 O4* C B 838 71.678 8.950 34.554 1.00 0.00 O ATOM 18012 C3* C B 838 70.507 10.945 34.137 1.00 0.00 C ATOM 18013 O3* C B 838 69.437 11.730 34.562 1.00 0.00 O ATOM 18014 C2* C B 838 71.816 11.303 34.841 1.00 0.00 C ATOM 18015 O2* C B 838 71.603 11.497 36.230 1.00 0.00 O ATOM 18016 C1* C B 838 72.607 10.009 34.690 1.00 0.00 C ATOM 18017 N1 C B 838 73.503 9.993 33.498 1.00 0.00 N ATOM 18018 C2 C B 838 74.664 10.755 33.545 1.00 0.00 C ATOM 18019 O2 C B 838 74.905 11.412 34.566 1.00 0.00 O ATOM 18020 N3 C B 838 75.492 10.753 32.469 1.00 0.00 N ATOM 18021 C4 C B 838 75.195 10.031 31.382 1.00 0.00 C ATOM 18022 N4 C B 838 76.035 10.062 30.360 1.00 0.00 N ATOM 18023 C5 C B 838 74.005 9.238 31.312 1.00 0.00 C ATOM 18024 C6 C B 838 73.190 9.255 32.399 1.00 0.00 C ATOM 18025 P U B 839 68.979 12.997 33.641 1.00 0.00 P ATOM 18026 O1P U B 839 67.635 13.467 34.050 1.00 0.00 O ATOM 18027 O2P U B 839 69.132 12.648 32.211 1.00 0.00 O ATOM 18028 O5* U B 839 70.079 14.083 34.056 1.00 0.00 O ATOM 18029 C5* U B 839 70.165 14.502 35.429 1.00 0.00 C ATOM 18030 C4* U B 839 71.349 15.430 35.616 1.00 0.00 C ATOM 18031 O4* U B 839 72.577 14.671 35.421 1.00 0.00 O ATOM 18032 C3* U B 839 71.459 16.576 34.607 1.00 0.00 C ATOM 18033 O3* U B 839 70.679 17.667 34.984 1.00 0.00 O ATOM 18034 C2* U B 839 72.955 16.884 34.639 1.00 0.00 C ATOM 18035 O2* U B 839 73.293 17.612 35.808 1.00 0.00 O ATOM 18036 C1* U B 839 73.553 15.491 34.797 1.00 0.00 C ATOM 18037 N1 U B 839 73.931 14.851 33.505 1.00 0.00 N ATOM 18038 C2 U B 839 75.057 15.325 32.879 1.00 0.00 C ATOM 18039 O2 U B 839 75.740 16.228 33.334 1.00 0.00 O ATOM 18040 N3 U B 839 75.376 14.710 31.685 1.00 0.00 N ATOM 18041 C4 U B 839 74.678 13.685 31.081 1.00 0.00 C ATOM 18042 O4 U B 839 75.060 13.212 30.008 1.00 0.00 O ATOM 18043 C5 U B 839 73.508 13.257 31.813 1.00 0.00 C ATOM 18044 C6 U B 839 73.175 13.838 32.976 1.00 0.00 C ATOM 18045 P C B 840 69.984 18.572 33.818 1.00 0.00 P ATOM 18046 O1P C B 840 68.924 19.428 34.396 1.00 0.00 O ATOM 18047 O2P C B 840 69.566 17.699 32.697 1.00 0.00 O ATOM 18048 O5* C B 840 71.222 19.477 33.365 1.00 0.00 O ATOM 18049 C5* C B 840 71.845 20.343 34.332 1.00 0.00 C ATOM 18050 C4* C B 840 73.064 21.008 33.727 1.00 0.00 C ATOM 18051 O4* C B 840 74.084 19.995 33.487 1.00 0.00 O ATOM 18052 C3* C B 840 72.857 21.655 32.356 1.00 0.00 C ATOM 18053 O3* C B 840 72.341 22.943 32.470 1.00 0.00 O ATOM 18054 C2* C B 840 74.272 21.636 31.778 1.00 0.00 C ATOM 18055 O2* C B 840 75.066 22.653 32.359 1.00 0.00 O ATOM 18056 C1* C B 840 74.800 20.303 32.302 1.00 0.00 C ATOM 18057 N1 C B 840 74.626 19.174 31.349 1.00 0.00 N ATOM 18058 C2 C B 840 75.462 19.123 30.239 1.00 0.00 C ATOM 18059 O2 C B 840 76.312 20.010 30.090 1.00 0.00 O ATOM 18060 N3 C B 840 75.317 18.100 29.358 1.00 0.00 N ATOM 18061 C4 C B 840 74.388 17.156 29.554 1.00 0.00 C ATOM 18062 N4 C B 840 74.287 16.180 28.665 1.00 0.00 N ATOM 18063 C5 C B 840 73.516 17.191 30.688 1.00 0.00 C ATOM 18064 C6 C B 840 73.676 18.221 31.558 1.00 0.00 C ATOM 18065 P G B 841 71.316 23.481 31.321 1.00 0.00 P ATOM 18066 O1P G B 841 70.604 24.690 31.796 1.00 0.00 O ATOM 18067 O2P G B 841 70.456 22.368 30.865 1.00 0.00 O ATOM 18068 O5* G B 841 72.343 23.880 30.162 1.00 0.00 O ATOM 18069 C5* G B 841 73.337 24.891 30.427 1.00 0.00 C ATOM 18070 C4* G B 841 74.277 25.017 29.244 1.00 0.00 C ATOM 18071 O4* G B 841 75.065 23.798 29.139 1.00 0.00 O ATOM 18072 C3* G B 841 73.608 25.144 27.875 1.00 0.00 C ATOM 18073 O3* G B 841 73.251 26.461 27.600 1.00 0.00 O ATOM 18074 C2* G B 841 74.698 24.621 26.940 1.00 0.00 C ATOM 18075 O2* G B 841 75.712 25.592 26.756 1.00 0.00 O ATOM 18076 C1* G B 841 75.304 23.496 27.772 1.00 0.00 C ATOM 18077 N9 G B 841 74.715 22.156 27.488 1.00 0.00 N ATOM 18078 C8 G B 841 73.838 21.412 28.251 1.00 0.00 C ATOM 18079 N7 G B 841 73.509 20.262 27.712 1.00 0.00 N ATOM 18080 C5 G B 841 74.215 20.245 26.509 1.00 0.00 C ATOM 18081 C6 G B 841 74.261 19.257 25.493 1.00 0.00 C ATOM 18082 O6 G B 841 73.682 18.176 25.440 1.00 0.00 O ATOM 18083 N1 G B 841 75.107 19.644 24.444 1.00 0.00 N ATOM 18084 C2 G B 841 75.813 20.831 24.382 1.00 0.00 C ATOM 18085 N2 G B 841 76.564 21.011 23.294 1.00 0.00 N ATOM 18086 N3 G B 841 75.768 21.757 25.337 1.00 0.00 N ATOM 18087 C4 G B 841 74.953 21.396 26.366 1.00 0.00 C ATOM 18088 P U B 842 71.904 26.745 26.723 1.00 0.00 P ATOM 18089 O1P U B 842 71.497 28.161 26.848 1.00 0.00 O ATOM 18090 O2P U B 842 70.870 25.744 27.075 1.00 0.00 O ATOM 18091 O5* U B 842 72.444 26.467 25.243 1.00 0.00 O ATOM 18092 C5* U B 842 73.521 27.272 24.730 1.00 0.00 C ATOM 18093 C4* U B 842 73.954 26.758 23.371 1.00 0.00 C ATOM 18094 O4* U B 842 74.569 25.447 23.537 1.00 0.00 O ATOM 18095 C3* U B 842 72.828 26.508 22.366 1.00 0.00 C ATOM 18096 O3* U B 842 72.475 27.677 21.695 1.00 0.00 O ATOM 18097 C2* U B 842 73.452 25.465 21.441 1.00 0.00 C ATOM 18098 O2* U B 842 74.379 26.067 20.558 1.00 0.00 O ATOM 18099 C1* U B 842 74.258 24.625 22.426 1.00 0.00 C ATOM 18100 N1 U B 842 73.526 23.429 22.932 1.00 0.00 N ATOM 18101 C2 U B 842 73.377 22.373 22.066 1.00 0.00 C ATOM 18102 O2 U B 842 73.816 22.382 20.928 1.00 0.00 O ATOM 18103 N3 U B 842 72.694 21.282 22.569 1.00 0.00 N ATOM 18104 C4 U B 842 72.160 21.165 23.836 1.00 0.00 C ATOM 18105 O4 U B 842 71.567 20.138 24.174 1.00 0.00 O ATOM 18106 C5 U B 842 72.364 22.326 24.672 1.00 0.00 C ATOM 18107 C6 U B 842 73.026 23.398 24.207 1.00 0.00 C ATOM 18108 P G B 843 70.915 27.893 21.261 1.00 0.00 P ATOM 18109 O1P G B 843 70.672 29.309 20.906 1.00 0.00 O ATOM 18110 O2P G B 843 70.033 27.330 22.307 1.00 0.00 O ATOM 18111 O5* G B 843 70.842 26.984 19.945 1.00 0.00 O ATOM 18112 C5* G B 843 71.693 27.304 18.828 1.00 0.00 C ATOM 18113 C4* G B 843 71.550 26.248 17.752 1.00 0.00 C ATOM 18114 O4* G B 843 72.105 24.994 18.241 1.00 0.00 O ATOM 18115 C3* G B 843 70.116 25.890 17.356 1.00 0.00 C ATOM 18116 O3* G B 843 69.609 26.777 16.411 1.00 0.00 O ATOM 18117 C2* G B 843 70.284 24.474 16.807 1.00 0.00 C ATOM 18118 O2* G B 843 70.847 24.502 15.506 1.00 0.00 O ATOM 18119 C1* G B 843 71.349 23.905 17.739 1.00 0.00 C ATOM 18120 N9 G B 843 70.791 23.158 18.901 1.00 0.00 N ATOM 18121 C8 G B 843 70.718 23.537 20.225 1.00 0.00 C ATOM 18122 N7 G B 843 70.161 22.641 21.005 1.00 0.00 N ATOM 18123 C5 G B 843 69.843 21.597 20.136 1.00 0.00 C ATOM 18124 C6 G B 843 69.220 20.350 20.398 1.00 0.00 C ATOM 18125 O6 G B 843 68.817 19.899 21.465 1.00 0.00 O ATOM 18126 N1 G B 843 69.089 19.588 19.227 1.00 0.00 N ATOM 18127 C2 G B 843 69.505 19.981 17.970 1.00 0.00 C ATOM 18128 N2 G B 843 69.287 19.111 16.980 1.00 0.00 N ATOM 18129 N3 G B 843 70.087 21.153 17.726 1.00 0.00 N ATOM 18130 C4 G B 843 70.222 21.905 18.851 1.00 0.00 C ATOM 18131 P A B 844 68.016 27.138 16.451 1.00 0.00 P ATOM 18132 O1P A B 844 67.743 28.341 15.636 1.00 0.00 O ATOM 18133 O2P A B 844 67.560 27.195 17.857 1.00 0.00 O ATOM 18134 O5* A B 844 67.399 25.847 15.732 1.00 0.00 O ATOM 18135 C5* A B 844 67.787 25.551 14.378 1.00 0.00 C ATOM 18136 C4* A B 844 67.186 24.228 13.943 1.00 0.00 C ATOM 18137 O4* A B 844 67.807 23.154 14.708 1.00 0.00 O ATOM 18138 C3* A B 844 65.692 24.054 14.216 1.00 0.00 C ATOM 18139 O3* A B 844 64.919 24.620 13.204 1.00 0.00 O ATOM 18140 C2* A B 844 65.552 22.536 14.287 1.00 0.00 C ATOM 18141 O2* A B 844 65.586 21.970 12.986 1.00 0.00 O ATOM 18142 C1* A B 844 66.852 22.141 14.977 1.00 0.00 C ATOM 18143 N9 A B 844 66.729 22.006 16.456 1.00 0.00 N ATOM 18144 C8 A B 844 67.182 22.852 17.443 1.00 0.00 C ATOM 18145 N7 A B 844 66.911 22.447 18.647 1.00 0.00 N ATOM 18146 C5 A B 844 66.231 21.253 18.456 1.00 0.00 C ATOM 18147 C6 A B 844 65.671 20.328 19.351 1.00 0.00 C ATOM 18148 N6 A B 844 65.707 20.470 20.684 1.00 0.00 N ATOM 18149 N1 A B 844 65.064 19.246 18.823 1.00 0.00 N ATOM 18150 C2 A B 844 65.028 19.111 17.498 1.00 0.00 C ATOM 18151 N3 A B 844 65.515 19.905 16.569 1.00 0.00 N ATOM 18152 C4 A B 844 66.116 20.980 17.122 1.00 0.00 C ATOM 18153 P A B 845 63.912 25.809 14.240 1.00 0.00 P ATOM 18154 O1P A B 845 62.556 25.242 14.400 1.00 0.00 O ATOM 18155 O2P A B 845 63.983 27.139 13.596 1.00 0.00 O ATOM 18156 O5* A B 845 64.747 25.875 15.925 1.00 0.00 O ATOM 18157 C5* A B 845 65.403 25.763 17.293 1.00 0.00 C ATOM 18158 C4* A B 845 65.087 26.788 18.634 1.00 0.00 C ATOM 18159 O4* A B 845 63.993 27.625 18.169 1.00 0.00 O ATOM 18160 C3* A B 845 64.540 26.129 19.900 1.00 0.00 C ATOM 18161 O3* A B 845 66.046 26.401 20.626 1.00 0.00 O ATOM 18162 C2* A B 845 63.684 27.250 20.492 1.00 0.00 C ATOM 18163 O2* A B 845 64.496 28.230 21.114 1.00 0.00 O ATOM 18164 C1* A B 845 63.102 27.891 19.236 1.00 0.00 C ATOM 18165 N9 A B 845 61.637 27.352 18.820 1.00 0.00 N ATOM 18166 C8 A B 845 61.245 26.056 18.575 1.00 0.00 C ATOM 18167 N7 A B 845 60.075 25.950 18.023 1.00 0.00 N ATOM 18168 C5 A B 845 59.653 27.269 17.888 1.00 0.00 C ATOM 18169 C6 A B 845 58.478 27.836 17.365 1.00 0.00 C ATOM 18170 N6 A B 845 57.468 27.112 16.859 1.00 0.00 N ATOM 18171 N1 A B 845 58.378 29.176 17.383 1.00 0.00 N ATOM 18172 C2 A B 845 59.385 29.888 17.891 1.00 0.00 C ATOM 18173 N3 A B 845 60.524 29.470 18.404 1.00 0.00 N ATOM 18174 C4 A B 845 60.599 28.121 18.370 1.00 0.00 C ATOM 18175 P U B 846 66.854 28.137 20.392 1.00 0.00 P ATOM 18176 O1P U B 846 68.204 28.063 19.792 1.00 0.00 O ATOM 18177 O2P U B 846 66.778 28.772 21.729 1.00 0.00 O ATOM 18178 O5* U B 846 65.840 29.073 19.070 1.00 0.00 O ATOM 18179 C5* U B 846 65.012 30.131 18.221 1.00 0.00 C ATOM 18180 C4* U B 846 63.599 30.036 17.175 1.00 0.00 C ATOM 18181 O4* U B 846 63.123 28.710 16.800 1.00 0.00 O ATOM 18182 C3* U B 846 63.218 30.908 15.976 1.00 0.00 C ATOM 18183 O3* U B 846 63.642 32.320 15.636 1.00 0.00 O ATOM 18184 C2* U B 846 63.440 29.957 14.804 1.00 0.00 C ATOM 18185 O2* U B 846 64.824 29.818 14.525 1.00 0.00 O ATOM 18186 C1* U B 846 62.974 28.632 15.397 1.00 0.00 C ATOM 18187 N1 U B 846 61.336 28.221 15.045 1.00 0.00 N ATOM 18188 C2 U B 846 60.618 29.124 14.308 1.00 0.00 C ATOM 18189 O2 U B 846 61.041 30.230 14.010 1.00 0.00 O ATOM 18190 N3 U B 846 59.363 28.704 13.911 1.00 0.00 N ATOM 18191 C4 U B 846 58.785 27.478 14.188 1.00 0.00 C ATOM 18192 O4 U B 846 57.651 27.211 13.777 1.00 0.00 O ATOM 18193 C5 U B 846 59.622 26.598 14.970 1.00 0.00 C ATOM 18194 C6 U B 846 60.844 26.986 15.367 1.00 0.00 C ATOM 18195 P U B 847 63.638 32.760 13.812 1.00 0.00 P ATOM 18196 O1P U B 847 65.052 32.923 13.401 1.00 0.00 O ATOM 18197 O2P U B 847 62.765 33.935 13.600 1.00 0.00 O ATOM 18198 O5* U B 847 62.884 31.295 12.922 1.00 0.00 O ATOM 18199 C5* U B 847 62.095 30.367 12.023 1.00 0.00 C ATOM 18200 C4* U B 847 62.827 28.947 11.517 1.00 0.00 C ATOM 18201 O4* U B 847 64.233 29.192 11.229 1.00 0.00 O ATOM 18202 C3* U B 847 62.495 27.698 10.695 1.00 0.00 C ATOM 18203 O3* U B 847 61.582 26.376 10.907 1.00 0.00 O ATOM 18204 C2* U B 847 63.343 27.910 9.439 1.00 0.00 C ATOM 18205 O2* U B 847 62.739 28.877 8.590 1.00 0.00 O ATOM 18206 C1* U B 847 64.597 28.554 10.016 1.00 0.00 C ATOM 18207 N1 U B 847 65.865 27.470 10.343 1.00 0.00 N ATOM 18208 C2 U B 847 67.051 27.683 9.686 1.00 0.00 C ATOM 18209 O2 U B 847 67.194 28.544 8.832 1.00 0.00 O ATOM 18210 N3 U B 847 68.094 26.855 10.050 1.00 0.00 N ATOM 18211 C4 U B 847 68.045 25.852 11.000 1.00 0.00 C ATOM 18212 O4 U B 847 69.045 25.169 11.245 1.00 0.00 O ATOM 18213 C5 U B 847 66.760 25.704 11.636 1.00 0.00 C ATOM 18214 C6 U B 847 65.728 26.498 11.297 1.00 0.00 C ATOM 18215 P C B 848 59.733 26.455 10.345 1.00 0.00 P ATOM 18216 O1P C B 848 59.511 26.573 8.885 1.00 0.00 O ATOM 18217 O2P C B 848 59.596 27.709 11.119 1.00 0.00 O ATOM 18218 O5* C B 848 58.761 25.336 10.948 1.00 0.00 O ATOM 18219 C5* C B 848 58.127 24.405 10.054 1.00 0.00 C ATOM 18220 C4* C B 848 57.363 23.365 10.847 1.00 0.00 C ATOM 18221 O4* C B 848 58.312 22.527 11.570 1.00 0.00 O ATOM 18222 C3* C B 848 56.438 23.904 11.940 1.00 0.00 C ATOM 18223 O3* C B 848 55.198 24.276 11.424 1.00 0.00 O ATOM 18224 C2* C B 848 56.350 22.722 12.896 1.00 0.00 C ATOM 18225 O2* C B 848 55.485 21.722 12.384 1.00 0.00 O ATOM 18226 C1* C B 848 57.766 22.160 12.827 1.00 0.00 C ATOM 18227 N1 C B 848 58.669 22.679 13.891 1.00 0.00 N ATOM 18228 C2 C B 848 58.492 22.195 15.187 1.00 0.00 C ATOM 18229 O2 C B 848 57.601 21.365 15.396 1.00 0.00 O ATOM 18230 N3 C B 848 59.303 22.657 16.172 1.00 0.00 N ATOM 18231 C4 C B 848 60.257 23.558 15.903 1.00 0.00 C ATOM 18232 N4 C B 848 61.024 23.975 16.900 1.00 0.00 N ATOM 18233 C5 C B 848 60.457 24.067 14.579 1.00 0.00 C ATOM 18234 C6 C B 848 59.635 23.593 13.610 1.00 0.00 C ATOM 18235 P A B 849 54.416 25.545 12.091 1.00 0.00 P ATOM 18236 O1P A B 849 53.331 26.003 11.199 1.00 0.00 O ATOM 18237 O2P A B 849 55.404 26.574 12.488 1.00 0.00 O ATOM 18238 O5* A B 849 53.792 24.860 13.396 1.00 0.00 O ATOM 18239 C5* A B 849 52.873 23.767 13.239 1.00 0.00 C ATOM 18240 C4* A B 849 52.509 23.195 14.594 1.00 0.00 C ATOM 18241 O4* A B 849 53.685 22.555 15.168 1.00 0.00 O ATOM 18242 C3* A B 849 52.090 24.212 15.656 1.00 0.00 C ATOM 18243 O3* A B 849 50.741 24.540 15.546 1.00 0.00 O ATOM 18244 C2* A B 849 52.415 23.476 16.953 1.00 0.00 C ATOM 18245 O2* A B 849 51.437 22.487 17.228 1.00 0.00 O ATOM 18246 C1* A B 849 53.696 22.740 16.575 1.00 0.00 C ATOM 18247 N9 A B 849 54.939 23.479 16.935 1.00 0.00 N ATOM 18248 C8 A B 849 55.815 24.149 16.112 1.00 0.00 C ATOM 18249 N7 A B 849 56.812 24.694 16.737 1.00 0.00 N ATOM 18250 C5 A B 849 56.589 24.368 18.070 1.00 0.00 C ATOM 18251 C6 A B 849 57.299 24.653 19.247 1.00 0.00 C ATOM 18252 N6 A B 849 58.434 25.370 19.272 1.00 0.00 N ATOM 18253 N1 A B 849 56.802 24.178 20.402 1.00 0.00 N ATOM 18254 C2 A B 849 55.676 23.468 20.370 1.00 0.00 C ATOM 18255 N3 A B 849 54.931 23.139 19.339 1.00 0.00 N ATOM 18256 C4 A B 849 55.451 23.629 18.194 1.00 0.00 C ATOM 18257 P U B 850 50.268 26.058 15.915 1.00 0.00 P ATOM 18258 O1P U B 850 48.904 26.310 15.394 1.00 0.00 O ATOM 18259 O2P U B 850 51.307 27.017 15.483 1.00 0.00 O ATOM 18260 O5* U B 850 50.230 25.982 17.514 1.00 0.00 O ATOM 18261 C5* U B 850 49.345 25.040 18.145 1.00 0.00 C ATOM 18262 C4* U B 850 49.566 25.050 19.645 1.00 0.00 C ATOM 18263 O4* U B 850 50.885 24.506 19.933 1.00 0.00 O ATOM 18264 C3* U B 850 49.586 26.429 20.307 1.00 0.00 C ATOM 18265 O3* U B 850 48.298 26.874 20.598 1.00 0.00 O ATOM 18266 C2* U B 850 50.416 26.169 21.560 1.00 0.00 C ATOM 18267 O2* U B 850 49.649 25.489 22.542 1.00 0.00 O ATOM 18268 C1* U B 850 51.454 25.179 21.044 1.00 0.00 C ATOM 18269 N1 U B 850 52.723 25.819 20.596 1.00 0.00 N ATOM 18270 C2 U B 850 53.570 26.281 21.573 1.00 0.00 C ATOM 18271 O2 U B 850 53.324 26.185 22.761 1.00 0.00 O ATOM 18272 N3 U B 850 54.733 26.869 21.120 1.00 0.00 N ATOM 18273 C4 U B 850 55.111 27.028 19.802 1.00 0.00 C ATOM 18274 O4 U B 850 56.180 27.572 19.517 1.00 0.00 O ATOM 18275 C5 U B 850 54.158 26.514 18.848 1.00 0.00 C ATOM 18276 C6 U B 850 53.015 25.936 19.263 1.00 0.00 C ATOM 18277 P C B 851 46.609 27.884 19.734 1.00 0.00 P ATOM 18278 O1P C B 851 45.136 27.840 19.861 1.00 0.00 O ATOM 18279 O2P C B 851 47.146 28.911 18.812 1.00 0.00 O ATOM 18280 O5* C B 851 47.273 28.057 21.180 1.00 0.00 O ATOM 18281 C5* C B 851 46.956 27.103 22.212 1.00 0.00 C ATOM 18282 C4* C B 851 47.786 27.385 23.450 1.00 0.00 C ATOM 18283 O4* C B 851 49.182 27.099 23.155 1.00 0.00 O ATOM 18284 C3* C B 851 47.797 28.838 23.927 1.00 0.00 C ATOM 18285 O3* C B 851 46.697 29.123 24.727 1.00 0.00 O ATOM 18286 C2* C B 851 49.116 28.912 24.694 1.00 0.00 C ATOM 18287 O2* C B 851 48.997 28.285 25.961 1.00 0.00 O ATOM 18288 C1* C B 851 50.016 28.020 23.842 1.00 0.00 C ATOM 18289 N1 C B 851 50.812 28.766 22.828 1.00 0.00 N ATOM 18290 C2 C B 851 51.896 29.516 23.273 1.00 0.00 C ATOM 18291 O2 C B 851 52.152 29.529 24.484 1.00 0.00 O ATOM 18292 N3 C B 851 52.633 30.206 22.366 1.00 0.00 N ATOM 18293 C4 C B 851 52.321 30.165 21.063 1.00 0.00 C ATOM 18294 N4 C B 851 53.073 30.854 20.217 1.00 0.00 N ATOM 18295 C5 C B 851 51.209 29.400 20.582 1.00 0.00 C ATOM 18296 C6 C B 851 50.488 28.718 21.506 1.00 0.00 C ATOM 18297 P U B 852 46.047 30.621 24.665 1.00 0.00 P ATOM 18298 O1P U B 852 44.701 30.621 25.281 1.00 0.00 O ATOM 18299 O2P U B 852 46.118 31.130 23.278 1.00 0.00 O ATOM 18300 O5* U B 852 47.066 31.428 25.593 1.00 0.00 O ATOM 18301 C5* U B 852 47.220 31.034 26.971 1.00 0.00 C ATOM 18302 C4* U B 852 48.320 31.849 27.622 1.00 0.00 C ATOM 18303 O4* U B 852 49.597 31.478 27.027 1.00 0.00 O ATOM 18304 C3* U B 852 48.242 33.360 27.414 1.00 0.00 C ATOM 18305 O3* U B 852 47.389 33.961 28.339 1.00 0.00 O ATOM 18306 C2* U B 852 49.698 33.784 27.593 1.00 0.00 C ATOM 18307 O2* U B 852 50.055 33.791 28.963 1.00 0.00 O ATOM 18308 C1* U B 852 50.437 32.616 26.946 1.00 0.00 C ATOM 18309 N1 U B 852 50.772 32.842 25.512 1.00 0.00 N ATOM 18310 C2 U B 852 51.796 33.716 25.235 1.00 0.00 C ATOM 18311 O2 U B 852 52.422 34.297 26.106 1.00 0.00 O ATOM 18312 N3 U B 852 52.076 33.896 23.896 1.00 0.00 N ATOM 18313 C4 U B 852 51.433 33.291 22.836 1.00 0.00 C ATOM 18314 O4 U B 852 51.774 33.534 21.674 1.00 0.00 O ATOM 18315 C5 U B 852 50.372 32.390 23.225 1.00 0.00 C ATOM 18316 C6 U B 852 50.079 32.197 24.521 1.00 0.00 C ATOM 18317 P C B 853 46.523 35.265 27.874 1.00 0.00 P ATOM 18318 O1P C B 853 45.433 35.525 28.843 1.00 0.00 O ATOM 18319 O2P C B 853 46.105 35.103 26.465 1.00 0.00 O ATOM 18320 O5* C B 853 47.629 36.416 27.983 1.00 0.00 O ATOM 18321 C5* C B 853 48.240 36.680 29.260 1.00 0.00 C ATOM 18322 C4* C B 853 49.336 37.712 29.105 1.00 0.00 C ATOM 18323 O4* C B 853 50.426 37.131 28.332 1.00 0.00 O ATOM 18324 C3* C B 853 48.963 38.972 28.322 1.00 0.00 C ATOM 18325 O3* C B 853 48.335 39.913 29.136 1.00 0.00 O ATOM 18326 C2* C B 853 50.320 39.446 27.812 1.00 0.00 C ATOM 18327 O2* C B 853 51.059 40.069 28.849 1.00 0.00 O ATOM 18328 C1* C B 853 51.014 38.124 27.507 1.00 0.00 C ATOM 18329 N1 C B 853 50.873 37.683 26.090 1.00 0.00 N ATOM 18330 C2 C B 853 51.623 38.352 25.126 1.00 0.00 C ATOM 18331 O2 C B 853 52.366 39.274 25.483 1.00 0.00 O ATOM 18332 N3 C B 853 51.509 37.970 23.828 1.00 0.00 N ATOM 18333 C4 C B 853 50.691 36.966 23.484 1.00 0.00 C ATOM 18334 N4 C B 853 50.616 36.630 22.205 1.00 0.00 N ATOM 18335 C5 C B 853 49.913 36.265 24.460 1.00 0.00 C ATOM 18336 C6 C B 853 50.040 36.663 25.750 1.00 0.00 C ATOM 18337 P C B 854 47.173 40.862 28.489 1.00 0.00 P ATOM 18338 O1P C B 854 46.390 41.516 29.560 1.00 0.00 O ATOM 18339 O2P C B 854 46.393 40.081 27.503 1.00 0.00 O ATOM 18340 O5* C B 854 48.066 41.953 27.729 1.00 0.00 O ATOM 18341 C5* C B 854 48.975 42.765 28.495 1.00 0.00 C ATOM 18342 C4* C B 854 49.801 43.632 27.568 1.00 0.00 C ATOM 18343 O4* C B 854 50.694 42.778 26.796 1.00 0.00 O ATOM 18344 C3* C B 854 49.019 44.404 26.505 1.00 0.00 C ATOM 18345 O3* C B 854 48.517 45.602 27.005 1.00 0.00 O ATOM 18346 C2* C B 854 50.075 44.615 25.421 1.00 0.00 C ATOM 18347 O2* C B 854 50.978 45.643 25.793 1.00 0.00 O ATOM 18348 C1* C B 854 50.852 43.302 25.487 1.00 0.00 C ATOM 18349 N1 C B 854 50.372 42.276 24.521 1.00 0.00 N ATOM 18350 C2 C B 854 50.692 42.452 23.175 1.00 0.00 C ATOM 18351 O2 C B 854 51.351 43.443 22.846 1.00 0.00 O ATOM 18352 N3 C B 854 50.264 41.528 22.278 1.00 0.00 N ATOM 18353 C4 C B 854 49.551 40.468 22.677 1.00 0.00 C ATOM 18354 N4 C B 854 49.159 39.594 21.761 1.00 0.00 N ATOM 18355 C5 C B 854 49.215 40.268 24.053 1.00 0.00 C ATOM 18356 C6 C B 854 49.649 41.203 24.934 1.00 0.00 C ATOM 18357 P G B 855 47.083 46.148 26.448 1.00 0.00 P ATOM 18358 O1P G B 855 46.555 47.203 27.342 1.00 0.00 O ATOM 18359 O2P G B 855 46.182 45.001 26.203 1.00 0.00 O ATOM 18360 O5* G B 855 47.531 46.791 25.054 1.00 0.00 O ATOM 18361 C5* G B 855 48.481 47.872 25.058 1.00 0.00 C ATOM 18362 C4* G B 855 48.853 48.243 23.637 1.00 0.00 C ATOM 18363 O4* G B 855 49.605 47.146 23.045 1.00 0.00 O ATOM 18364 C3* G B 855 47.682 48.450 22.675 1.00 0.00 C ATOM 18365 O3* G B 855 47.165 49.740 22.765 1.00 0.00 O ATOM 18366 C2* G B 855 48.327 48.166 21.320 1.00 0.00 C ATOM 18367 O2* G B 855 49.122 49.263 20.903 1.00 0.00 O ATOM 18368 C1* G B 855 49.286 47.031 21.666 1.00 0.00 C ATOM 18369 N9 G B 855 48.713 45.675 21.437 1.00 0.00 N ATOM 18370 C8 G B 855 48.267 44.751 22.357 1.00 0.00 C ATOM 18371 N7 G B 855 47.817 43.641 21.823 1.00 0.00 N ATOM 18372 C5 G B 855 47.977 43.844 20.452 1.00 0.00 C ATOM 18373 C6 G B 855 47.668 42.993 19.363 1.00 0.00 C ATOM 18374 O6 G B 855 47.181 41.864 19.378 1.00 0.00 O ATOM 18375 N1 G B 855 47.989 43.592 18.136 1.00 0.00 N ATOM 18376 C2 G B 855 48.536 44.850 17.987 1.00 0.00 C ATOM 18377 N2 G B 855 48.772 45.245 16.733 1.00 0.00 N ATOM 18378 N3 G B 855 48.826 45.650 19.012 1.00 0.00 N ATOM 18379 C4 G B 855 48.522 45.082 20.208 1.00 0.00 C ATOM 18380 P G B 856 45.562 49.960 22.543 1.00 0.00 P ATOM 18381 O1P G B 856 45.157 51.297 23.033 1.00 0.00 O ATOM 18382 O2P G B 856 44.822 48.814 23.115 1.00 0.00 O ATOM 18383 O5* G B 856 45.473 49.920 20.945 1.00 0.00 O ATOM 18384 C5* G B 856 46.201 50.899 20.182 1.00 0.00 C ATOM 18385 C4* G B 856 46.076 50.598 18.699 1.00 0.00 C ATOM 18386 O4* G B 856 46.786 49.361 18.409 1.00 0.00 O ATOM 18387 C3* G B 856 44.657 50.338 18.190 1.00 0.00 C ATOM 18388 O3* G B 856 43.992 51.528 17.899 1.00 0.00 O ATOM 18389 C2* G B 856 44.914 49.487 16.949 1.00 0.00 C ATOM 18390 O2* G B 856 45.368 50.291 15.874 1.00 0.00 O ATOM 18391 C1* G B 856 46.097 48.638 17.398 1.00 0.00 C ATOM 18392 N9 G B 856 45.708 47.316 17.961 1.00 0.00 N ATOM 18393 C8 G B 856 45.703 46.897 19.274 1.00 0.00 C ATOM 18394 N7 G B 856 45.296 45.660 19.436 1.00 0.00 N ATOM 18395 C5 G B 856 45.015 45.231 18.141 1.00 0.00 C ATOM 18396 C6 G B 856 44.538 43.978 17.678 1.00 0.00 C ATOM 18397 O6 G B 856 44.262 42.970 18.325 1.00 0.00 O ATOM 18398 N1 G B 856 44.389 43.970 16.285 1.00 0.00 N ATOM 18399 C2 G B 856 44.663 45.036 15.447 1.00 0.00 C ATOM 18400 N2 G B 856 44.452 44.828 14.148 1.00 0.00 N ATOM 18401 N3 G B 856 45.109 46.210 15.885 1.00 0.00 N ATOM 18402 C4 G B 856 45.260 46.234 17.235 1.00 0.00 C ATOM 18403 P G B 857 44.804 52.870 19.237 1.00 0.00 P ATOM 18404 O1P G B 857 44.113 54.059 18.692 1.00 0.00 O ATOM 18405 O2P G B 857 46.279 52.863 19.103 1.00 0.00 O ATOM 18406 O5* G B 857 44.700 52.779 21.260 1.00 0.00 O ATOM 18407 C5* G B 857 44.567 53.162 22.947 1.00 0.00 C ATOM 18408 C4* G B 857 43.784 52.429 24.484 1.00 0.00 C ATOM 18409 O4* G B 857 43.388 51.096 24.920 1.00 0.00 O ATOM 18410 C3* G B 857 43.144 53.360 25.517 1.00 0.00 C ATOM 18411 O3* G B 857 43.187 54.839 24.792 1.00 0.00 O ATOM 18412 C2* G B 857 41.825 52.654 25.819 1.00 0.00 C ATOM 18413 O2* G B 857 40.897 52.855 24.766 1.00 0.00 O ATOM 18414 C1* G B 857 42.245 51.186 25.761 1.00 0.00 C ATOM 18415 N9 G B 857 42.739 50.309 27.678 1.00 0.00 N ATOM 18416 C8 G B 857 43.857 49.583 28.030 1.00 0.00 C ATOM 18417 N7 G B 857 43.968 49.374 29.319 1.00 0.00 N ATOM 18418 C5 G B 857 42.853 50.007 29.858 1.00 0.00 C ATOM 18419 C6 G B 857 42.428 50.128 31.207 1.00 0.00 C ATOM 18420 O6 G B 857 42.963 49.688 32.223 1.00 0.00 O ATOM 18421 N1 G B 857 41.235 50.855 31.309 1.00 0.00 N ATOM 18422 C2 G B 857 40.541 51.400 30.246 1.00 0.00 C ATOM 18423 N2 G B 857 39.421 52.062 30.549 1.00 0.00 N ATOM 18424 N3 G B 857 40.941 51.287 28.980 1.00 0.00 N ATOM 18425 C4 G B 857 42.096 50.581 28.861 1.00 0.00 C ATOM 18426 P G B 858 42.883 56.675 24.912 1.00 0.00 P ATOM 18427 O1P G B 858 44.110 57.493 25.053 1.00 0.00 O ATOM 18428 O2P G B 858 41.695 57.170 25.640 1.00 0.00 O ATOM 18429 O5* G B 858 42.531 56.494 23.362 1.00 0.00 O ATOM 18430 C5* G B 858 43.104 57.404 22.405 1.00 0.00 C ATOM 18431 C4* G B 858 42.742 56.974 20.998 1.00 0.00 C ATOM 18432 O4* G B 858 43.411 55.717 20.702 1.00 0.00 O ATOM 18433 C3* G B 858 41.261 56.671 20.755 1.00 0.00 C ATOM 18434 O3* G B 858 40.543 57.827 20.478 1.00 0.00 O ATOM 18435 C2* G B 858 41.324 55.713 19.566 1.00 0.00 C ATOM 18436 O2* G B 858 41.579 56.418 18.365 1.00 0.00 O ATOM 18437 C1* G B 858 42.579 54.906 19.884 1.00 0.00 C ATOM 18438 N9 G B 858 42.306 53.640 20.617 1.00 0.00 N ATOM 18439 C8 G B 858 42.527 53.335 21.944 1.00 0.00 C ATOM 18440 N7 G B 858 42.174 52.117 22.278 1.00 0.00 N ATOM 18441 C5 G B 858 41.686 51.577 21.091 1.00 0.00 C ATOM 18442 C6 G B 858 41.159 50.289 20.823 1.00 0.00 C ATOM 18443 O6 G B 858 41.010 49.339 21.591 1.00 0.00 O ATOM 18444 N1 G B 858 40.780 50.158 19.480 1.00 0.00 N ATOM 18445 C2 G B 858 40.896 51.146 18.519 1.00 0.00 C ATOM 18446 N2 G B 858 40.477 50.824 17.294 1.00 0.00 N ATOM 18447 N3 G B 858 41.391 52.355 18.772 1.00 0.00 N ATOM 18448 C4 G B 858 41.765 52.496 20.072 1.00 0.00 C ATOM 18449 P G B 859 41.393 59.436 20.860 1.00 0.00 P ATOM 18450 O1P G B 859 40.589 60.615 20.453 1.00 0.00 O ATOM 18451 O2P G B 859 42.861 59.584 20.726 1.00 0.00 O ATOM 18452 O5* G B 859 41.254 58.771 22.495 1.00 0.00 O ATOM 18453 C5* G B 859 40.410 58.333 23.313 1.00 0.00 C ATOM 18454 C4* G B 859 39.780 59.903 23.867 1.00 0.00 C ATOM 18455 O4* G B 859 39.474 59.081 25.035 1.00 0.00 O ATOM 18456 C3* G B 859 40.881 60.841 24.361 1.00 0.00 C ATOM 18457 O3* G B 859 40.946 61.795 23.440 1.00 0.00 O ATOM 18458 C2* G B 859 40.467 61.094 25.807 1.00 0.00 C ATOM 18459 O2* G B 859 39.388 62.015 25.868 1.00 0.00 O ATOM 18460 C1* G B 859 39.913 59.731 26.212 1.00 0.00 C ATOM 18461 N9 G B 859 40.721 58.997 26.790 1.00 0.00 N ATOM 18462 C8 G B 859 42.026 59.281 27.140 1.00 0.00 C ATOM 18463 N7 G B 859 42.523 58.462 28.040 1.00 0.00 N ATOM 18464 C5 G B 859 41.472 57.579 28.299 1.00 0.00 C ATOM 18465 C6 G B 859 41.408 56.478 29.188 1.00 0.00 C ATOM 18466 O6 G B 859 42.275 56.037 29.939 1.00 0.00 O ATOM 18467 N1 G B 859 40.153 55.856 29.140 1.00 0.00 N ATOM 18468 C2 G B 859 39.099 56.247 28.343 1.00 0.00 C ATOM 18469 N2 G B 859 37.981 55.526 28.443 1.00 0.00 N ATOM 18470 N3 G B 859 39.162 57.283 27.510 1.00 0.00 N ATOM 18471 C4 G B 859 40.371 57.900 27.540 1.00 0.00 C ATOM 18472 P U B 860 39.481 62.852 24.060 1.00 0.00 P ATOM 18473 O1P U B 860 40.668 63.617 23.618 1.00 0.00 O ATOM 18474 O2P U B 860 38.623 63.519 25.066 1.00 0.00 O ATOM 18475 O5* U B 860 38.604 62.433 22.790 1.00 0.00 O ATOM 18476 C5* U B 860 38.713 63.201 21.580 1.00 0.00 C ATOM 18477 C4* U B 860 37.899 62.554 20.477 1.00 0.00 C ATOM 18478 O4* U B 860 38.515 61.287 20.114 1.00 0.00 O ATOM 18479 C3* U B 860 36.464 62.175 20.849 1.00 0.00 C ATOM 18480 O3* U B 860 35.595 63.257 20.712 1.00 0.00 O ATOM 18481 C2* U B 860 36.165 61.055 19.855 1.00 0.00 C ATOM 18482 O2* U B 860 35.905 61.580 18.563 1.00 0.00 O ATOM 18483 C1* U B 860 37.512 60.342 19.780 1.00 0.00 C ATOM 18484 N1 U B 860 37.633 59.190 20.718 1.00 0.00 N ATOM 18485 C2 U B 860 36.948 58.045 20.396 1.00 0.00 C ATOM 18486 O2 U B 860 36.264 57.944 19.390 1.00 0.00 O ATOM 18487 N3 U B 860 37.084 57.000 21.288 1.00 0.00 N ATOM 18488 C4 U B 860 37.828 57.005 22.449 1.00 0.00 C ATOM 18489 O4 U B 860 37.873 56.005 23.169 1.00 0.00 O ATOM 18490 C5 U B 860 38.510 58.252 22.702 1.00 0.00 C ATOM 18491 C6 U B 860 38.397 59.284 21.852 1.00 0.00 C ATOM 18492 P A B 861 36.182 64.486 22.137 1.00 0.00 P ATOM 18493 O1P A B 861 35.593 65.730 21.602 1.00 0.00 O ATOM 18494 O2P A B 861 37.590 64.572 22.571 1.00 0.00 O ATOM 18495 O5* A B 861 35.381 63.799 23.742 1.00 0.00 O ATOM 18496 C5* A B 861 35.080 63.168 25.138 1.00 0.00 C ATOM 18497 C4* A B 861 33.719 63.068 26.351 1.00 0.00 C ATOM 18498 O4* A B 861 33.439 61.643 26.280 1.00 0.00 O ATOM 18499 C3* A B 861 34.283 63.262 27.764 1.00 0.00 C ATOM 18500 O3* A B 861 33.838 64.836 27.907 1.00 0.00 O ATOM 18501 C2* A B 861 33.459 62.260 28.572 1.00 0.00 C ATOM 18502 O2* A B 861 32.154 62.757 28.807 1.00 0.00 O ATOM 18503 C1* A B 861 33.322 61.105 27.583 1.00 0.00 C ATOM 18504 N9 A B 861 34.462 59.904 27.756 1.00 0.00 N ATOM 18505 C8 A B 861 35.467 59.810 28.693 1.00 0.00 C ATOM 18506 N7 A B 861 36.330 58.871 28.447 1.00 0.00 N ATOM 18507 C5 A B 861 35.875 58.298 27.267 1.00 0.00 C ATOM 18508 C6 A B 861 36.357 57.238 26.482 1.00 0.00 C ATOM 18509 N6 A B 861 37.461 56.535 26.784 1.00 0.00 N ATOM 18510 N1 A B 861 35.665 56.925 25.373 1.00 0.00 N ATOM 18511 C2 A B 861 34.570 57.626 25.078 1.00 0.00 C ATOM 18512 N3 A B 861 34.027 58.628 25.732 1.00 0.00 N ATOM 18513 C4 A B 861 34.739 58.919 26.842 1.00 0.00 C ATOM 18514 P G B 862 34.766 65.655 26.464 1.00 0.00 P ATOM 18515 O1P G B 862 35.686 64.517 26.705 1.00 0.00 O ATOM 18516 O2P G B 862 35.399 66.992 26.411 1.00 0.00 O ATOM 18517 O5* G B 862 33.925 65.397 25.125 1.00 0.00 O ATOM 18518 C5* G B 862 34.098 66.289 24.010 1.00 0.00 C ATOM 18519 C4* G B 862 33.308 65.790 22.818 1.00 0.00 C ATOM 18520 O4* G B 862 33.910 64.549 22.344 1.00 0.00 O ATOM 18521 C3* G B 862 31.853 65.408 23.095 1.00 0.00 C ATOM 18522 O3* G B 862 31.018 66.520 23.049 1.00 0.00 O ATOM 18523 C2* G B 862 31.567 64.409 21.979 1.00 0.00 C ATOM 18524 O2* G B 862 31.366 65.076 20.744 1.00 0.00 O ATOM 18525 C1* G B 862 32.899 63.670 21.874 1.00 0.00 C ATOM 18526 N9 G B 862 32.957 62.426 22.686 1.00 0.00 N ATOM 18527 C8 G B 862 33.623 62.188 23.868 1.00 0.00 C ATOM 18528 N7 G B 862 33.470 60.967 24.330 1.00 0.00 N ATOM 18529 C5 G B 862 32.645 60.357 23.387 1.00 0.00 C ATOM 18530 C6 G B 862 32.130 59.035 23.344 1.00 0.00 C ATOM 18531 O6 G B 862 32.299 58.115 24.141 1.00 0.00 O ATOM 18532 N1 G B 862 31.330 58.837 22.210 1.00 0.00 N ATOM 18533 C2 G B 862 31.064 59.786 21.244 1.00 0.00 C ATOM 18534 N2 G B 862 30.279 59.397 20.238 1.00 0.00 N ATOM 18535 N3 G B 862 31.546 61.027 21.286 1.00 0.00 N ATOM 18536 C4 G B 862 32.326 61.238 22.382 1.00 0.00 C ATOM 18537 P A B 863 29.271 66.691 22.487 1.00 0.00 P ATOM 18538 O1P A B 863 29.181 67.770 21.475 1.00 0.00 O ATOM 18539 O2P A B 863 28.362 66.817 23.647 1.00 0.00 O ATOM 18540 O5* A B 863 29.144 65.049 21.707 1.00 0.00 O ATOM 18541 C5* A B 863 29.143 63.681 21.255 1.00 0.00 C ATOM 18542 C4* A B 863 28.838 62.663 22.489 1.00 0.00 C ATOM 18543 O4* A B 863 28.385 61.283 22.379 1.00 0.00 O ATOM 18544 C3* A B 863 28.434 63.074 23.902 1.00 0.00 C ATOM 18545 O3* A B 863 28.685 64.505 24.313 1.00 0.00 O ATOM 18546 C2* A B 863 27.106 62.342 24.081 1.00 0.00 C ATOM 18547 O2* A B 863 26.071 63.001 23.378 1.00 0.00 O ATOM 18548 C1* A B 863 27.379 61.032 23.348 1.00 0.00 C ATOM 18549 N9 A B 863 27.905 59.750 24.351 1.00 0.00 N ATOM 18550 C8 A B 863 27.310 58.527 24.556 1.00 0.00 C ATOM 18551 N7 A B 863 27.876 57.814 25.479 1.00 0.00 N ATOM 18552 C5 A B 863 28.911 58.612 25.933 1.00 0.00 C ATOM 18553 C6 A B 863 29.893 58.426 26.919 1.00 0.00 C ATOM 18554 N6 A B 863 29.988 57.314 27.662 1.00 0.00 N ATOM 18555 N1 A B 863 30.776 59.421 27.108 1.00 0.00 N ATOM 18556 C2 A B 863 30.682 60.518 26.365 1.00 0.00 C ATOM 18557 N3 A B 863 29.810 60.808 25.420 1.00 0.00 N ATOM 18558 C4 A B 863 28.943 59.797 25.248 1.00 0.00 C ATOM 18559 P G B 864 29.830 64.631 25.715 1.00 0.00 P ATOM 18560 O1P G B 864 30.386 65.979 25.934 1.00 0.00 O ATOM 18561 O2P G B 864 30.806 63.514 25.757 1.00 0.00 O ATOM 18562 O5* G B 864 28.348 64.334 26.678 1.00 0.00 O ATOM 18563 C5* G B 864 28.100 63.567 27.800 1.00 0.00 C ATOM 18564 C4* G B 864 27.874 61.905 27.665 1.00 0.00 C ATOM 18565 O4* G B 864 28.838 61.380 28.618 1.00 0.00 O ATOM 18566 C3* G B 864 26.519 61.500 28.248 1.00 0.00 C ATOM 18567 O3* G B 864 25.224 62.263 28.216 1.00 0.00 O ATOM 18568 C2* G B 864 26.831 60.129 28.849 1.00 0.00 C ATOM 18569 O2* G B 864 26.918 59.139 27.840 1.00 0.00 O ATOM 18570 C1* G B 864 28.245 60.344 29.381 1.00 0.00 C ATOM 18571 N9 G B 864 28.324 60.772 31.002 1.00 0.00 N ATOM 18572 C8 G B 864 28.427 62.024 31.570 1.00 0.00 C ATOM 18573 N7 G B 864 28.528 62.014 32.875 1.00 0.00 N ATOM 18574 C5 G B 864 28.481 60.654 33.202 1.00 0.00 C ATOM 18575 C6 G B 864 28.548 60.015 34.463 1.00 0.00 C ATOM 18576 O6 G B 864 28.657 60.518 35.577 1.00 0.00 O ATOM 18577 N1 G B 864 28.467 58.620 34.337 1.00 0.00 N ATOM 18578 C2 G B 864 28.346 57.936 33.141 1.00 0.00 C ATOM 18579 N2 G B 864 28.287 56.608 33.231 1.00 0.00 N ATOM 18580 N3 G B 864 28.284 58.539 31.957 1.00 0.00 N ATOM 18581 C4 G B 864 28.360 59.891 32.066 1.00 0.00 C ATOM 18582 P C B 865 24.871 63.200 26.689 1.00 0.00 P ATOM 18583 O1P C B 865 26.037 63.801 26.004 1.00 0.00 O ATOM 18584 O2P C B 865 23.752 64.121 26.981 1.00 0.00 O ATOM 18585 O5* C B 865 24.328 61.684 25.854 1.00 0.00 O ATOM 18586 C5* C B 865 23.471 60.754 26.519 1.00 0.00 C ATOM 18587 C4* C B 865 22.132 60.415 25.705 1.00 0.00 C ATOM 18588 O4* C B 865 20.866 61.101 25.916 1.00 0.00 O ATOM 18589 C3* C B 865 22.004 59.826 24.298 1.00 0.00 C ATOM 18590 O3* C B 865 23.067 58.937 23.658 1.00 0.00 O ATOM 18591 C2* C B 865 20.530 59.444 24.247 1.00 0.00 C ATOM 18592 O2* C B 865 20.289 58.254 24.978 1.00 0.00 O ATOM 18593 C1* C B 865 19.883 60.583 25.031 1.00 0.00 C ATOM 18594 N1 C B 865 19.297 61.866 24.070 1.00 0.00 N ATOM 18595 C2 C B 865 18.442 61.549 23.016 1.00 0.00 C ATOM 18596 O2 C B 865 18.147 60.366 22.825 1.00 0.00 O ATOM 18597 N3 C B 865 17.960 62.558 22.246 1.00 0.00 N ATOM 18598 C4 C B 865 18.303 63.831 22.491 1.00 0.00 C ATOM 18599 N4 C B 865 17.806 64.776 21.709 1.00 0.00 N ATOM 18600 C5 C B 865 19.181 64.176 23.566 1.00 0.00 C ATOM 18601 C6 C B 865 19.653 63.153 24.324 1.00 0.00 C ATOM 18602 P A B 866 22.613 58.229 22.022 1.00 0.00 P ATOM 18603 O1P A B 866 21.477 58.921 21.375 1.00 0.00 O ATOM 18604 O2P A B 866 22.483 56.759 22.139 1.00 0.00 O ATOM 18605 O5* A B 866 24.175 58.738 21.218 1.00 0.00 O ATOM 18606 C5* A B 866 24.667 59.245 19.950 1.00 0.00 C ATOM 18607 C4* A B 866 26.058 58.589 19.437 1.00 0.00 C ATOM 18608 O4* A B 866 26.521 58.456 18.060 1.00 0.00 O ATOM 18609 C3* A B 866 27.101 57.825 20.254 1.00 0.00 C ATOM 18610 O3* A B 866 27.021 57.672 21.799 1.00 0.00 O ATOM 18611 C2* A B 866 27.452 56.668 19.324 1.00 0.00 C ATOM 18612 O2* A B 866 26.432 55.685 19.336 1.00 0.00 O ATOM 18613 C1* A B 866 27.401 57.343 17.955 1.00 0.00 C ATOM 18614 N9 A B 866 28.944 57.916 17.368 1.00 0.00 N ATOM 18615 C8 A B 866 29.267 59.166 16.889 1.00 0.00 C ATOM 18616 N7 A B 866 30.535 59.345 16.689 1.00 0.00 N ATOM 18617 C5 A B 866 31.104 58.135 17.059 1.00 0.00 C ATOM 18618 C6 A B 866 32.437 57.683 17.083 1.00 0.00 C ATOM 18619 N6 A B 866 33.479 58.432 16.700 1.00 0.00 N ATOM 18620 N1 A B 866 32.654 56.426 17.503 1.00 0.00 N ATOM 18621 C2 A B 866 31.615 55.685 17.881 1.00 0.00 C ATOM 18622 N3 A B 866 30.338 55.998 17.904 1.00 0.00 N ATOM 18623 C4 A B 866 30.147 57.261 17.475 1.00 0.00 C ATOM 18624 P C B 867 26.054 56.360 22.672 1.00 0.00 P ATOM 18625 O1P C B 867 25.644 55.282 21.755 1.00 0.00 O ATOM 18626 O2P C B 867 24.970 56.984 23.465 1.00 0.00 O ATOM 18627 O5* C B 867 27.348 55.771 23.843 1.00 0.00 O ATOM 18628 C5* C B 867 27.480 54.992 25.064 1.00 0.00 C ATOM 18629 C4* C B 867 27.646 53.393 24.849 1.00 0.00 C ATOM 18630 O4* C B 867 28.615 52.547 25.527 1.00 0.00 O ATOM 18631 C3* C B 867 26.772 52.405 24.073 1.00 0.00 C ATOM 18632 O3* C B 867 25.978 52.953 22.873 1.00 0.00 O ATOM 18633 C2* C B 867 27.787 51.347 23.654 1.00 0.00 C ATOM 18634 O2* C B 867 28.575 51.805 22.570 1.00 0.00 O ATOM 18635 C1* C B 867 28.701 51.291 24.871 1.00 0.00 C ATOM 18636 N1 C B 867 28.314 50.076 25.990 1.00 0.00 N ATOM 18637 C2 C B 867 28.204 48.775 25.517 1.00 0.00 C ATOM 18638 O2 C B 867 28.385 48.557 24.313 1.00 0.00 O ATOM 18639 N3 C B 867 27.903 47.785 26.402 1.00 0.00 N ATOM 18640 C4 C B 867 27.716 48.059 27.698 1.00 0.00 C ATOM 18641 N4 C B 867 27.424 47.066 28.517 1.00 0.00 N ATOM 18642 C5 C B 867 27.826 49.398 28.203 1.00 0.00 C ATOM 18643 C6 C B 867 28.124 50.369 27.306 1.00 0.00 C ATOM 18644 P U B 868 24.497 52.109 22.164 1.00 0.00 P ATOM 18645 O1P U B 868 24.752 51.063 21.147 1.00 0.00 O ATOM 18646 O2P U B 868 23.591 53.203 21.749 1.00 0.00 O ATOM 18647 O5* U B 868 23.953 51.433 23.511 1.00 0.00 O ATOM 18648 C5* U B 868 23.686 50.019 23.523 1.00 0.00 C ATOM 18649 C4* U B 868 23.303 49.576 24.920 1.00 0.00 C ATOM 18650 O4* U B 868 24.465 49.699 25.790 1.00 0.00 O ATOM 18651 C3* U B 868 22.232 50.418 25.616 1.00 0.00 C ATOM 18652 O3* U B 868 20.948 50.019 25.249 1.00 0.00 O ATOM 18653 C2* U B 868 22.531 50.160 27.091 1.00 0.00 C ATOM 18654 O2* U B 868 22.063 48.881 27.482 1.00 0.00 O ATOM 18655 C1* U B 868 24.055 50.093 27.090 1.00 0.00 C ATOM 18656 N1 U B 868 24.711 51.394 27.403 1.00 0.00 N ATOM 18657 C2 U B 868 24.677 51.812 28.712 1.00 0.00 C ATOM 18658 O2 U B 868 24.140 51.170 29.598 1.00 0.00 O ATOM 18659 N3 U B 868 25.295 53.021 28.965 1.00 0.00 N ATOM 18660 C4 U B 868 25.930 53.827 28.040 1.00 0.00 C ATOM 18661 O4 U B 868 26.446 54.891 28.386 1.00 0.00 O ATOM 18662 C5 U B 868 25.912 53.303 26.694 1.00 0.00 C ATOM 18663 C6 U B 868 25.319 52.132 26.420 1.00 0.00 C ATOM 18664 P G B 869 19.775 51.149 25.146 1.00 0.00 P ATOM 18665 O1P G B 869 18.611 50.611 24.405 1.00 0.00 O ATOM 18666 O2P G B 869 20.347 52.408 24.621 1.00 0.00 O ATOM 18667 O5* G B 869 19.396 51.330 26.691 1.00 0.00 O ATOM 18668 C5* G B 869 18.902 50.194 27.425 1.00 0.00 C ATOM 18669 C4* G B 869 18.728 50.558 28.886 1.00 0.00 C ATOM 18670 O4* G B 869 20.041 50.786 29.476 1.00 0.00 O ATOM 18671 C3* G B 869 17.972 51.859 29.164 1.00 0.00 C ATOM 18672 O3* G B 869 16.594 51.657 29.157 1.00 0.00 O ATOM 18673 C2* G B 869 18.504 52.251 30.540 1.00 0.00 C ATOM 18674 O2* G B 869 17.913 51.456 31.553 1.00 0.00 O ATOM 18675 C1* G B 869 19.965 51.825 30.436 1.00 0.00 C ATOM 18676 N9 G B 869 20.880 52.919 30.008 1.00 0.00 N ATOM 18677 C8 G B 869 21.494 53.112 28.790 1.00 0.00 C ATOM 18678 N7 G B 869 22.245 54.188 28.734 1.00 0.00 N ATOM 18679 C5 G B 869 22.118 54.744 30.007 1.00 0.00 C ATOM 18680 C6 G B 869 22.698 55.919 30.551 1.00 0.00 C ATOM 18681 O6 G B 869 23.457 56.723 30.015 1.00 0.00 O ATOM 18682 N1 G B 869 22.304 56.116 31.882 1.00 0.00 N ATOM 18683 C2 G B 869 21.456 55.288 32.593 1.00 0.00 C ATOM 18684 N2 G B 869 21.202 55.650 33.852 1.00 0.00 N ATOM 18685 N3 G B 869 20.913 54.186 32.080 1.00 0.00 N ATOM 18686 C4 G B 869 21.285 53.979 30.790 1.00 0.00 C ATOM 18687 P U B 870 15.628 52.856 28.610 1.00 0.00 P ATOM 18688 O1P U B 870 14.270 52.336 28.339 1.00 0.00 O ATOM 18689 O2P U B 870 16.292 53.546 27.481 1.00 0.00 O ATOM 18690 O5* U B 870 15.593 53.818 29.889 1.00 0.00 O ATOM 18691 C5* U B 870 15.067 53.314 31.128 1.00 0.00 C ATOM 18692 C4* U B 870 15.244 54.343 32.226 1.00 0.00 C ATOM 18693 O4* U B 870 16.666 54.493 32.506 1.00 0.00 O ATOM 18694 C3* U B 870 14.787 55.762 31.886 1.00 0.00 C ATOM 18695 O3* U B 870 13.418 55.925 32.102 1.00 0.00 O ATOM 18696 C2* U B 870 15.634 56.607 32.835 1.00 0.00 C ATOM 18697 O2* U B 870 15.126 56.543 34.157 1.00 0.00 O ATOM 18698 C1* U B 870 16.953 55.843 32.831 1.00 0.00 C ATOM 18699 N1 U B 870 17.939 56.357 31.837 1.00 0.00 N ATOM 18700 C2 U B 870 18.563 57.543 32.130 1.00 0.00 C ATOM 18701 O2 U B 870 18.343 58.174 33.151 1.00 0.00 O ATOM 18702 N3 U B 870 19.468 57.988 31.187 1.00 0.00 N ATOM 18703 C4 U B 870 19.793 57.356 30.004 1.00 0.00 C ATOM 18704 O4 U B 870 20.621 57.850 29.235 1.00 0.00 O ATOM 18705 C5 U B 870 19.085 56.117 29.784 1.00 0.00 C ATOM 18706 C6 U B 870 18.199 55.663 30.685 1.00 0.00 C ATOM 18707 P U B 871 12.411 57.336 32.700 1.00 0.00 P ATOM 18708 O1P U B 871 10.969 57.010 32.605 1.00 0.00 O ATOM 18709 O2P U B 871 12.827 58.604 32.053 1.00 0.00 O ATOM 18710 O5* U B 871 12.949 57.231 34.440 1.00 0.00 O ATOM 18711 C5* U B 871 13.489 57.874 35.607 1.00 0.00 C ATOM 18712 C4* U B 871 14.379 59.199 35.293 1.00 0.00 C ATOM 18713 O4* U B 871 15.090 59.312 34.031 1.00 0.00 O ATOM 18714 C3* U B 871 13.902 60.628 35.575 1.00 0.00 C ATOM 18715 O3* U B 871 13.788 60.902 37.081 1.00 0.00 O ATOM 18716 C2* U B 871 15.064 61.464 35.043 1.00 0.00 C ATOM 18717 O2* U B 871 16.158 61.432 35.945 1.00 0.00 O ATOM 18718 C1* U B 871 15.479 60.660 33.815 1.00 0.00 C ATOM 18719 N1 U B 871 14.786 61.190 32.351 1.00 0.00 N ATOM 18720 C2 U B 871 15.631 61.769 31.433 1.00 0.00 C ATOM 18721 O2 U B 871 16.804 62.000 31.666 1.00 0.00 O ATOM 18722 N3 U B 871 15.061 62.074 30.214 1.00 0.00 N ATOM 18723 C4 U B 871 13.750 61.858 29.842 1.00 0.00 C ATOM 18724 O4 U B 871 13.353 62.175 28.719 1.00 0.00 O ATOM 18725 C5 U B 871 12.938 61.244 30.870 1.00 0.00 C ATOM 18726 C6 U B 871 13.467 60.938 32.064 1.00 0.00 C ATOM 18727 P U B 872 12.347 61.649 37.887 1.00 0.00 P ATOM 18728 O1P U B 872 12.142 60.767 39.057 1.00 0.00 O ATOM 18729 O2P U B 872 11.123 62.027 37.145 1.00 0.00 O ATOM 18730 O5* U B 872 13.139 62.966 38.334 1.00 0.00 O ATOM 18731 C5* U B 872 13.544 63.103 39.709 1.00 0.00 C ATOM 18732 C4* U B 872 14.381 64.354 39.878 1.00 0.00 C ATOM 18733 O4* U B 872 15.647 64.173 39.180 1.00 0.00 O ATOM 18734 C3* U B 872 13.801 65.632 39.271 1.00 0.00 C ATOM 18735 O3* U B 872 12.895 66.245 40.134 1.00 0.00 O ATOM 18736 C2* U B 872 15.054 66.473 39.038 1.00 0.00 C ATOM 18737 O2* U B 872 15.520 67.026 40.255 1.00 0.00 O ATOM 18738 C1* U B 872 16.064 65.407 38.618 1.00 0.00 C ATOM 18739 N1 U B 872 16.169 65.230 37.142 1.00 0.00 N ATOM 18740 C2 U B 872 16.824 66.210 36.437 1.00 0.00 C ATOM 18741 O2 U B 872 17.311 67.194 36.970 1.00 0.00 O ATOM 18742 N3 U B 872 16.900 66.012 35.075 1.00 0.00 N ATOM 18743 C4 U B 872 16.387 64.940 34.373 1.00 0.00 C ATOM 18744 O4 U B 872 16.518 64.873 33.149 1.00 0.00 O ATOM 18745 C5 U B 872 15.716 63.965 35.196 1.00 0.00 C ATOM 18746 C6 U B 872 15.627 64.133 36.527 1.00 0.00 C ATOM 18747 P C B 873 11.615 67.033 39.499 1.00 0.00 P ATOM 18748 O1P C B 873 10.599 67.288 40.543 1.00 0.00 O ATOM 18749 O2P C B 873 11.136 66.308 38.300 1.00 0.00 O ATOM 18750 O5* C B 873 12.298 68.413 39.060 1.00 0.00 O ATOM 18751 C5* C B 873 12.913 69.237 40.067 1.00 0.00 C ATOM 18752 C4* C B 873 13.601 70.420 39.418 1.00 0.00 C ATOM 18753 O4* C B 873 14.740 69.939 38.646 1.00 0.00 O ATOM 18754 C3* C B 873 12.768 71.199 38.399 1.00 0.00 C ATOM 18755 O3* C B 873 11.955 72.144 39.017 1.00 0.00 O ATOM 18756 C2* C B 873 13.846 71.832 37.522 1.00 0.00 C ATOM 18757 O2* C B 873 14.441 72.940 38.177 1.00 0.00 O ATOM 18758 C1* C B 873 14.895 70.726 37.475 1.00 0.00 C ATOM 18759 N1 C B 873 14.766 69.826 36.297 1.00 0.00 N ATOM 18760 C2 C B 873 15.163 70.320 35.055 1.00 0.00 C ATOM 18761 O2 C B 873 15.603 71.473 34.986 1.00 0.00 O ATOM 18762 N3 C B 873 15.054 69.516 33.969 1.00 0.00 N ATOM 18763 C4 C B 873 14.571 68.272 34.085 1.00 0.00 C ATOM 18764 N4 C B 873 14.483 67.527 32.994 1.00 0.00 N ATOM 18765 C5 C B 873 14.157 67.745 35.351 1.00 0.00 C ATOM 18766 C6 C B 873 14.274 68.565 36.424 1.00 0.00 C ATOM 18767 P G B 874 10.493 72.471 38.365 1.00 0.00 P ATOM 18768 O1P G B 874 9.650 73.200 39.338 1.00 0.00 O ATOM 18769 O2P G B 874 9.912 71.229 37.811 1.00 0.00 O ATOM 18770 O5* G B 874 10.911 73.452 37.171 1.00 0.00 O ATOM 18771 C5* G B 874 11.579 74.689 37.484 1.00 0.00 C ATOM 18772 C4* G B 874 11.990 75.394 36.209 1.00 0.00 C ATOM 18773 O4* G B 874 13.031 74.613 35.551 1.00 0.00 O ATOM 18774 C3* G B 874 10.902 75.527 35.141 1.00 0.00 C ATOM 18775 O3* G B 874 10.094 76.638 35.371 1.00 0.00 O ATOM 18776 C2* G B 874 11.726 75.652 33.861 1.00 0.00 C ATOM 18777 O2* G B 874 12.279 76.952 33.744 1.00 0.00 O ATOM 18778 C1* G B 874 12.883 74.701 34.144 1.00 0.00 C ATOM 18779 N9 G B 874 12.668 73.323 33.616 1.00 0.00 N ATOM 18780 C8 G B 874 12.362 72.168 34.302 1.00 0.00 C ATOM 18781 N7 G B 874 12.238 71.110 33.534 1.00 0.00 N ATOM 18782 C5 G B 874 12.478 71.601 32.253 1.00 0.00 C ATOM 18783 C6 G B 874 12.483 70.930 31.003 1.00 0.00 C ATOM 18784 O6 G B 874 12.273 69.742 30.768 1.00 0.00 O ATOM 18785 N1 G B 874 12.773 71.807 29.951 1.00 0.00 N ATOM 18786 C2 G B 874 13.026 73.159 30.086 1.00 0.00 C ATOM 18787 N2 G B 874 13.282 73.825 28.958 1.00 0.00 N ATOM 18788 N3 G B 874 13.020 73.789 31.260 1.00 0.00 N ATOM 18789 C4 G B 874 12.741 72.950 32.292 1.00 0.00 C ATOM 18790 P G B 875 8.514 76.554 34.969 1.00 0.00 P ATOM 18791 O1P G B 875 7.763 77.655 35.612 1.00 0.00 O ATOM 18792 O2P G B 875 8.009 75.190 35.238 1.00 0.00 O ATOM 18793 O5* G B 875 8.592 76.802 33.390 1.00 0.00 O ATOM 18794 C5* G B 875 9.141 78.041 32.904 1.00 0.00 C ATOM 18795 C4* G B 875 9.235 78.009 31.393 1.00 0.00 C ATOM 18796 O4* G B 875 10.238 77.029 31.001 1.00 0.00 O ATOM 18797 C3* G B 875 7.973 77.558 30.656 1.00 0.00 C ATOM 18798 O3* G B 875 7.080 78.614 30.477 1.00 0.00 O ATOM 18799 C2* G B 875 8.539 77.035 29.339 1.00 0.00 C ATOM 18800 O2* G B 875 8.897 78.108 28.484 1.00 0.00 O ATOM 18801 C1* G B 875 9.841 76.385 29.801 1.00 0.00 C ATOM 18802 N9 G B 875 9.715 74.927 30.079 1.00 0.00 N ATOM 18803 C8 G B 875 9.681 74.274 31.291 1.00 0.00 C ATOM 18804 N7 G B 875 9.562 72.971 31.191 1.00 0.00 N ATOM 18805 C5 G B 875 9.513 72.748 29.815 1.00 0.00 C ATOM 18806 C6 G B 875 9.388 71.534 29.091 1.00 0.00 C ATOM 18807 O6 G B 875 9.295 70.386 29.521 1.00 0.00 O ATOM 18808 N1 G B 875 9.380 71.763 27.710 1.00 0.00 N ATOM 18809 C2 G B 875 9.479 73.002 27.104 1.00 0.00 C ATOM 18810 N2 G B 875 9.451 73.008 25.769 1.00 0.00 N ATOM 18811 N3 G B 875 9.596 74.139 27.785 1.00 0.00 N ATOM 18812 C4 G B 875 9.607 73.936 29.129 1.00 0.00 C ATOM 18813 P C B 876 5.851 78.853 31.815 1.00 0.00 P ATOM 18814 O1P C B 876 4.567 79.165 31.152 1.00 0.00 O ATOM 18815 O2P C B 876 6.297 79.820 32.845 1.00 0.00 O ATOM 18816 O5* C B 876 5.849 77.156 32.501 1.00 0.00 O ATOM 18817 C5* C B 876 4.901 76.579 33.439 1.00 0.00 C ATOM 18818 C4* C B 876 3.725 75.745 32.677 1.00 0.00 C ATOM 18819 O4* C B 876 4.112 75.363 31.325 1.00 0.00 O ATOM 18820 C3* C B 876 3.090 74.477 33.252 1.00 0.00 C ATOM 18821 O3* C B 876 3.897 73.383 34.079 1.00 0.00 O ATOM 18822 C2* C B 876 2.377 73.896 32.030 1.00 0.00 C ATOM 18823 O2* C B 876 1.185 74.611 31.756 1.00 0.00 O ATOM 18824 C1* C B 876 3.362 74.228 30.914 1.00 0.00 C ATOM 18825 N1 C B 876 4.434 72.996 30.542 1.00 0.00 N ATOM 18826 C2 C B 876 3.909 71.727 30.302 1.00 0.00 C ATOM 18827 O2 C B 876 2.686 71.569 30.341 1.00 0.00 O ATOM 18828 N3 C B 876 4.765 70.708 30.034 1.00 0.00 N ATOM 18829 C4 C B 876 6.087 70.915 30.007 1.00 0.00 C ATOM 18830 N4 C B 876 6.883 69.890 29.740 1.00 0.00 N ATOM 18831 C5 C B 876 6.645 72.211 30.249 1.00 0.00 C ATOM 18832 C6 C B 876 5.774 73.216 30.518 1.00 0.00 C ATOM 18833 P A B 877 4.255 73.528 35.848 1.00 0.00 P ATOM 18834 O1P A B 877 3.805 74.795 36.474 1.00 0.00 O ATOM 18835 O2P A B 877 5.659 73.139 36.123 1.00 0.00 O ATOM 18836 O5* A B 877 3.086 72.166 36.113 1.00 0.00 O ATOM 18837 C5* A B 877 2.238 71.047 36.375 1.00 0.00 C ATOM 18838 C4* A B 877 0.979 70.729 35.349 1.00 0.00 C ATOM 18839 O4* A B 877 1.020 69.342 34.901 1.00 0.00 O ATOM 18840 C3* A B 877 -0.454 70.906 35.858 1.00 0.00 C ATOM 18841 O3* A B 877 -0.956 72.437 35.898 1.00 0.00 O ATOM 18842 C2* A B 877 -1.251 70.045 34.879 1.00 0.00 C ATOM 18843 O2* A B 877 -1.398 70.709 33.634 1.00 0.00 O ATOM 18844 C1* A B 877 -0.299 68.878 34.653 1.00 0.00 C ATOM 18845 N9 A B 877 -0.585 67.530 35.642 1.00 0.00 N ATOM 18846 C8 A B 877 0.246 66.461 35.890 1.00 0.00 C ATOM 18847 N7 A B 877 -0.320 65.490 36.534 1.00 0.00 N ATOM 18848 C5 A B 877 -1.620 65.934 36.738 1.00 0.00 C ATOM 18849 C6 A B 877 -2.732 65.361 37.375 1.00 0.00 C ATOM 18850 N6 A B 877 -2.707 64.146 37.948 1.00 0.00 N ATOM 18851 N1 A B 877 -3.870 66.075 37.397 1.00 0.00 N ATOM 18852 C2 A B 877 -3.886 67.274 36.823 1.00 0.00 C ATOM 18853 N3 A B 877 -2.915 67.915 36.206 1.00 0.00 N ATOM 18854 C4 A B 877 -1.785 67.178 36.198 1.00 0.00 C ATOM 18855 P A B 878 0.073 73.758 35.030 1.00 0.00 P ATOM 18856 O1P A B 878 0.363 73.245 33.671 1.00 0.00 O ATOM 18857 O2P A B 878 1.258 74.050 35.871 1.00 0.00 O ATOM 18858 O5* A B 878 -0.843 75.384 34.823 1.00 0.00 O ATOM 18859 C5* A B 878 -0.201 76.691 34.414 1.00 0.00 C ATOM 18860 C4* A B 878 -0.866 77.585 33.193 1.00 0.00 C ATOM 18861 O4* A B 878 -2.318 77.629 33.257 1.00 0.00 O ATOM 18862 C3* A B 878 -0.484 78.913 32.532 1.00 0.00 C ATOM 18863 O3* A B 878 0.865 79.141 31.803 1.00 0.00 O ATOM 18864 C2* A B 878 -1.623 79.110 31.534 1.00 0.00 C ATOM 18865 O2* A B 878 -1.454 78.272 30.399 1.00 0.00 O ATOM 18866 C1* A B 878 -2.818 78.565 32.312 1.00 0.00 C ATOM 18867 N9 A B 878 -3.707 79.729 33.140 1.00 0.00 N ATOM 18868 C8 A B 878 -3.620 81.100 33.044 1.00 0.00 C ATOM 18869 N7 A B 878 -4.339 81.735 33.920 1.00 0.00 N ATOM 18870 C5 A B 878 -4.946 80.724 34.650 1.00 0.00 C ATOM 18871 C6 A B 878 -5.842 80.741 35.732 1.00 0.00 C ATOM 18872 N6 A B 878 -6.301 81.873 36.292 1.00 0.00 N ATOM 18873 N1 A B 878 -6.248 79.561 36.223 1.00 0.00 N ATOM 18874 C2 A B 878 -5.794 78.440 35.662 1.00 0.00 C ATOM 18875 N3 A B 878 -4.962 78.296 34.648 1.00 0.00 N ATOM 18876 C4 A B 878 -4.569 79.499 34.183 1.00 0.00 C ATOM 18877 P G B 879 1.740 80.745 31.464 1.00 0.00 P ATOM 18878 O1P G B 879 3.005 80.449 32.176 1.00 0.00 O ATOM 18879 O2P G B 879 1.200 82.110 31.650 1.00 0.00 O ATOM 18880 O5* G B 879 1.915 80.440 29.902 1.00 0.00 O ATOM 18881 C5* G B 879 2.617 81.389 29.080 1.00 0.00 C ATOM 18882 C4* G B 879 2.771 80.842 27.674 1.00 0.00 C ATOM 18883 O4* G B 879 3.678 79.700 27.710 1.00 0.00 O ATOM 18884 C3* G B 879 1.500 80.284 27.033 1.00 0.00 C ATOM 18885 O3* G B 879 0.738 81.293 26.447 1.00 0.00 O ATOM 18886 C2* G B 879 2.063 79.299 26.012 1.00 0.00 C ATOM 18887 O2* G B 879 2.572 79.987 24.880 1.00 0.00 O ATOM 18888 C1* G B 879 3.262 78.728 26.760 1.00 0.00 C ATOM 18889 N9 G B 879 2.965 77.468 27.496 1.00 0.00 N ATOM 18890 C8 G B 879 2.808 77.266 28.848 1.00 0.00 C ATOM 18891 N7 G B 879 2.551 76.021 29.175 1.00 0.00 N ATOM 18892 C5 G B 879 2.538 75.353 27.950 1.00 0.00 C ATOM 18893 C6 G B 879 2.311 73.982 27.658 1.00 0.00 C ATOM 18894 O6 G B 879 2.072 73.062 28.433 1.00 0.00 O ATOM 18895 N1 G B 879 2.388 73.735 26.282 1.00 0.00 N ATOM 18896 C2 G B 879 2.649 74.683 25.312 1.00 0.00 C ATOM 18897 N2 G B 879 2.679 74.244 24.054 1.00 0.00 N ATOM 18898 N3 G B 879 2.859 75.967 25.587 1.00 0.00 N ATOM 18899 C4 G B 879 2.790 76.229 26.920 1.00 0.00 C ATOM 18900 P G B 880 -0.889 81.153 26.460 1.00 0.00 P ATOM 18901 O1P G B 880 -1.515 82.458 26.136 1.00 0.00 O ATOM 18902 O2P G B 880 -1.320 80.532 27.731 1.00 0.00 O ATOM 18903 O5* G B 880 -1.114 80.131 25.251 1.00 0.00 O ATOM 18904 C5* G B 880 -0.678 80.503 23.931 1.00 0.00 C ATOM 18905 C4* G B 880 -0.874 79.344 22.973 1.00 0.00 C ATOM 18906 O4* G B 880 0.047 78.275 23.335 1.00 0.00 O ATOM 18907 C3* G B 880 -2.249 78.675 23.009 1.00 0.00 C ATOM 18908 O3* G B 880 -3.171 79.353 22.214 1.00 0.00 O ATOM 18909 C2* G B 880 -1.936 77.275 22.489 1.00 0.00 C ATOM 18910 O2* G B 880 -1.759 77.289 21.083 1.00 0.00 O ATOM 18911 C1* G B 880 -0.567 77.016 23.105 1.00 0.00 C ATOM 18912 N9 G B 880 -0.620 76.288 24.404 1.00 0.00 N ATOM 18913 C8 G B 880 -0.418 76.766 25.681 1.00 0.00 C ATOM 18914 N7 G B 880 -0.542 75.857 26.618 1.00 0.00 N ATOM 18915 C5 G B 880 -0.847 74.696 25.913 1.00 0.00 C ATOM 18916 C6 G B 880 -1.093 73.378 26.383 1.00 0.00 C ATOM 18917 O6 G B 880 -1.093 72.962 27.539 1.00 0.00 O ATOM 18918 N1 G B 880 -1.367 72.501 25.326 1.00 0.00 N ATOM 18919 C2 G B 880 -1.397 72.847 23.989 1.00 0.00 C ATOM 18920 N2 G B 880 -1.678 71.860 23.134 1.00 0.00 N ATOM 18921 N3 G B 880 -1.166 74.082 23.550 1.00 0.00 N ATOM 18922 C4 G B 880 -0.899 74.948 24.562 1.00 0.00 C ATOM 18923 P G B 881 -4.939 79.453 22.600 1.00 0.00 P ATOM 18924 O1P G B 881 -5.362 80.471 21.611 1.00 0.00 O ATOM 18925 O2P G B 881 -5.352 79.705 23.998 1.00 0.00 O ATOM 18926 O5* G B 881 -5.439 78.007 22.138 1.00 0.00 O ATOM 18927 C5* G B 881 -5.069 77.524 20.835 1.00 0.00 C ATOM 18928 C4* G B 881 -5.542 76.093 20.659 1.00 0.00 C ATOM 18929 O4* G B 881 -4.788 75.231 21.558 1.00 0.00 O ATOM 18930 C3* G B 881 -7.002 75.825 21.030 1.00 0.00 C ATOM 18931 O3* G B 881 -7.862 76.130 19.978 1.00 0.00 O ATOM 18932 C2* G B 881 -6.979 74.335 21.360 1.00 0.00 C ATOM 18933 O2* G B 881 -6.929 73.558 20.173 1.00 0.00 O ATOM 18934 C1* G B 881 -5.622 74.190 22.040 1.00 0.00 C ATOM 18935 N9 G B 881 -5.680 74.298 23.525 1.00 0.00 N ATOM 18936 C8 G B 881 -5.286 75.339 24.338 1.00 0.00 C ATOM 18937 N7 G B 881 -5.476 75.117 25.616 1.00 0.00 N ATOM 18938 C5 G B 881 -6.037 73.840 25.652 1.00 0.00 C ATOM 18939 C6 G B 881 -6.460 73.058 26.756 1.00 0.00 C ATOM 18940 O6 G B 881 -6.424 73.335 27.954 1.00 0.00 O ATOM 18941 N1 G B 881 -6.970 71.822 26.344 1.00 0.00 N ATOM 18942 C2 G B 881 -7.061 71.394 25.031 1.00 0.00 C ATOM 18943 N2 G B 881 -7.579 70.179 24.845 1.00 0.00 N ATOM 18944 N3 G B 881 -6.666 72.130 23.996 1.00 0.00 N ATOM 18945 C4 G B 881 -6.165 73.332 24.380 1.00 0.00 C ATOM 18946 P G B 882 -9.346 76.716 20.323 1.00 0.00 P ATOM 18947 O1P G B 882 -9.955 77.313 19.112 1.00 0.00 O ATOM 18948 O2P G B 882 -9.262 77.600 21.506 1.00 0.00 O ATOM 18949 O5* G B 882 -10.119 75.368 20.708 1.00 0.00 O ATOM 18950 C5* G B 882 -10.236 74.325 19.723 1.00 0.00 C ATOM 18951 C4* G B 882 -10.889 73.104 20.340 1.00 0.00 C ATOM 18952 O4* G B 882 -9.980 72.528 21.322 1.00 0.00 O ATOM 18953 C3* G B 882 -12.173 73.361 21.130 1.00 0.00 C ATOM 18954 O3* G B 882 -13.287 73.406 20.294 1.00 0.00 O ATOM 18955 C2* G B 882 -12.202 72.171 22.084 1.00 0.00 C ATOM 18956 O2* G B 882 -12.614 70.993 21.411 1.00 0.00 O ATOM 18957 C1* G B 882 -10.719 71.998 22.408 1.00 0.00 C ATOM 18958 N9 G B 882 -10.292 72.709 23.646 1.00 0.00 N ATOM 18959 C8 G B 882 -9.552 73.864 23.775 1.00 0.00 C ATOM 18960 N7 G B 882 -9.344 74.232 25.017 1.00 0.00 N ATOM 18961 C5 G B 882 -9.996 73.247 25.764 1.00 0.00 C ATOM 18962 C6 G B 882 -10.123 73.104 27.169 1.00 0.00 C ATOM 18963 O6 G B 882 -9.680 73.825 28.059 1.00 0.00 O ATOM 18964 N1 G B 882 -10.866 71.963 27.500 1.00 0.00 N ATOM 18965 C2 G B 882 -11.415 71.078 26.594 1.00 0.00 C ATOM 18966 N2 G B 882 -12.092 70.051 27.112 1.00 0.00 N ATOM 18967 N3 G B 882 -11.295 71.214 25.277 1.00 0.00 N ATOM 18968 C4 G B 882 -10.576 72.317 24.936 1.00 0.00 C ATOM 18969 P G B 883 -14.512 74.414 20.678 1.00 0.00 P ATOM 18970 O1P G B 883 -15.410 74.595 19.515 1.00 0.00 O ATOM 18971 O2P G B 883 -13.963 75.654 21.269 1.00 0.00 O ATOM 18972 O5* G B 883 -15.259 73.560 21.808 1.00 0.00 O ATOM 18973 C5* G B 883 -15.793 72.268 21.468 1.00 0.00 C ATOM 18974 C4* G B 883 -16.339 71.589 22.710 1.00 0.00 C ATOM 18975 O4* G B 883 -15.231 71.265 23.596 1.00 0.00 O ATOM 18976 C3* G B 883 -17.268 72.439 23.578 1.00 0.00 C ATOM 18977 O3* G B 883 -18.581 72.405 23.108 1.00 0.00 O ATOM 18978 C2* G B 883 -17.117 71.781 24.947 1.00 0.00 C ATOM 18979 O2* G B 883 -17.844 70.567 25.005 1.00 0.00 O ATOM 18980 C1* G B 883 -15.635 71.412 24.948 1.00 0.00 C ATOM 18981 N9 G B 883 -14.764 72.438 25.581 1.00 0.00 N ATOM 18982 C8 G B 883 -13.903 73.337 24.985 1.00 0.00 C ATOM 18983 N7 G B 883 -13.276 74.115 25.834 1.00 0.00 N ATOM 18984 C5 G B 883 -13.751 73.704 27.079 1.00 0.00 C ATOM 18985 C6 G B 883 -13.439 74.173 28.379 1.00 0.00 C ATOM 18986 O6 G B 883 -12.659 75.066 28.707 1.00 0.00 O ATOM 18987 N1 G B 883 -14.149 73.474 29.362 1.00 0.00 N ATOM 18988 C2 G B 883 -15.050 72.455 29.120 1.00 0.00 C ATOM 18989 N2 G B 883 -15.629 71.917 30.195 1.00 0.00 N ATOM 18990 N3 G B 883 -15.345 72.014 27.899 1.00 0.00 N ATOM 18991 C4 G B 883 -14.659 72.680 26.933 1.00 0.00 C ATOM 18992 P U B 884 -19.506 73.740 23.272 1.00 0.00 P ATOM 18993 O1P U B 884 -20.702 73.641 22.407 1.00 0.00 O ATOM 18994 O2P U B 884 -18.672 74.946 23.079 1.00 0.00 O ATOM 18995 O5* U B 884 -19.938 73.618 24.808 1.00 0.00 O ATOM 18996 C5* U B 884 -20.686 72.465 25.234 1.00 0.00 C ATOM 18997 C4* U B 884 -20.875 72.496 26.737 1.00 0.00 C ATOM 18998 O4* U B 884 -19.581 72.306 27.381 1.00 0.00 O ATOM 18999 C3* U B 884 -21.383 73.817 27.318 1.00 0.00 C ATOM 19000 O3* U B 884 -22.772 73.907 27.245 1.00 0.00 O ATOM 19001 C2* U B 884 -20.872 73.753 28.755 1.00 0.00 C ATOM 19002 O2* U B 884 -21.666 72.875 29.533 1.00 0.00 O ATOM 19003 C1* U B 884 -19.516 73.079 28.568 1.00 0.00 C ATOM 19004 N1 U B 884 -18.385 74.036 28.433 1.00 0.00 N ATOM 19005 C2 U B 884 -17.970 74.680 29.575 1.00 0.00 C ATOM 19006 O2 U B 884 -18.483 74.496 30.664 1.00 0.00 O ATOM 19007 N3 U B 884 -16.918 75.560 29.411 1.00 0.00 N ATOM 19008 C4 U B 884 -16.264 75.845 28.228 1.00 0.00 C ATOM 19009 O4 U B 884 -15.333 76.652 28.205 1.00 0.00 O ATOM 19010 C5 U B 884 -16.771 75.121 27.088 1.00 0.00 C ATOM 19011 C6 U B 884 -17.792 74.258 27.219 1.00 0.00 C ATOM 19012 P C B 885 -23.452 75.370 27.000 1.00 0.00 P ATOM 19013 O1P C B 885 -24.866 75.214 26.590 1.00 0.00 O ATOM 19014 O2P C B 885 -22.600 76.161 26.083 1.00 0.00 O ATOM 19015 O5* C B 885 -23.381 75.986 28.474 1.00 0.00 O ATOM 19016 C5* C B 885 -24.070 75.315 29.545 1.00 0.00 C ATOM 19017 C4* C B 885 -23.765 75.995 30.865 1.00 0.00 C ATOM 19018 O4* C B 885 -22.360 75.782 31.190 1.00 0.00 O ATOM 19019 C3* C B 885 -23.921 77.517 30.881 1.00 0.00 C ATOM 19020 O3* C B 885 -25.242 77.891 31.110 1.00 0.00 O ATOM 19021 C2* C B 885 -22.986 77.921 32.019 1.00 0.00 C ATOM 19022 O2* C B 885 -23.580 77.646 33.277 1.00 0.00 O ATOM 19023 C1* C B 885 -21.841 76.930 31.843 1.00 0.00 C ATOM 19024 N1 C B 885 -20.716 77.454 31.017 1.00 0.00 N ATOM 19025 C2 C B 885 -19.875 78.403 31.595 1.00 0.00 C ATOM 19026 O2 C B 885 -20.091 78.762 32.757 1.00 0.00 O ATOM 19027 N3 C B 885 -18.843 78.894 30.861 1.00 0.00 N ATOM 19028 C4 C B 885 -18.642 78.477 29.603 1.00 0.00 C ATOM 19029 N4 C B 885 -17.625 78.986 28.930 1.00 0.00 N ATOM 19030 C5 C B 885 -19.496 77.505 28.990 1.00 0.00 C ATOM 19031 C6 C B 885 -20.520 77.027 29.742 1.00 0.00 C ATOM 19032 P A B 886 -26.418 77.926 29.705 1.00 0.00 P ATOM 19033 O1P A B 886 -27.816 77.968 30.192 1.00 0.00 O ATOM 19034 O2P A B 886 -26.126 76.913 28.670 1.00 0.00 O ATOM 19035 O5* A B 886 -25.809 79.565 29.218 1.00 0.00 O ATOM 19036 C5* A B 886 -24.465 80.023 29.070 1.00 0.00 C ATOM 19037 C4* A B 886 -24.348 81.631 28.924 1.00 0.00 C ATOM 19038 O4* A B 886 -24.134 82.398 30.145 1.00 0.00 O ATOM 19039 C3* A B 886 -23.419 82.291 27.909 1.00 0.00 C ATOM 19040 O3* A B 886 -23.593 81.904 26.433 1.00 0.00 O ATOM 19041 C2* A B 886 -23.495 83.762 28.306 1.00 0.00 C ATOM 19042 O2* A B 886 -24.713 84.335 27.866 1.00 0.00 O ATOM 19043 C1* A B 886 -23.578 83.665 29.828 1.00 0.00 C ATOM 19044 N9 A B 886 -22.101 83.809 30.622 1.00 0.00 N ATOM 19045 C8 A B 886 -21.496 82.911 31.467 1.00 0.00 C ATOM 19046 N7 A B 886 -20.426 83.366 32.046 1.00 0.00 N ATOM 19047 C5 A B 886 -20.308 84.659 31.550 1.00 0.00 C ATOM 19048 C6 A B 886 -19.370 85.676 31.781 1.00 0.00 C ATOM 19049 N6 A B 886 -18.322 85.546 32.605 1.00 0.00 N ATOM 19050 N1 A B 886 -19.550 86.841 31.131 1.00 0.00 N ATOM 19051 C2 A B 886 -20.592 86.967 30.310 1.00 0.00 C ATOM 19052 N3 A B 886 -21.526 86.091 30.021 1.00 0.00 N ATOM 19053 C4 A B 886 -21.326 84.936 30.686 1.00 0.00 C ATOM 19054 P U B 887 -22.664 80.421 25.887 1.00 0.00 P ATOM 19055 O1P U B 887 -23.428 79.174 26.119 1.00 0.00 O ATOM 19056 O2P U B 887 -21.272 80.427 26.380 1.00 0.00 O ATOM 19057 O5* U B 887 -22.755 80.932 24.140 1.00 0.00 O ATOM 19058 C5* U B 887 -22.257 80.966 22.793 1.00 0.00 C ATOM 19059 C4* U B 887 -22.045 82.470 22.211 1.00 0.00 C ATOM 19060 O4* U B 887 -23.094 83.434 22.515 1.00 0.00 O ATOM 19061 C3* U B 887 -20.752 83.271 22.383 1.00 0.00 C ATOM 19062 O3* U B 887 -19.392 82.838 22.914 1.00 0.00 O ATOM 19063 C2* U B 887 -21.158 84.650 21.862 1.00 0.00 C ATOM 19064 O2* U B 887 -21.218 84.658 20.447 1.00 0.00 O ATOM 19065 C1* U B 887 -22.594 84.757 22.368 1.00 0.00 C ATOM 19066 N1 U B 887 -22.763 85.560 23.857 1.00 0.00 N ATOM 19067 C2 U B 887 -22.629 86.924 23.847 1.00 0.00 C ATOM 19068 O2 U B 887 -22.403 87.564 22.833 1.00 0.00 O ATOM 19069 N3 U B 887 -22.765 87.542 25.076 1.00 0.00 N ATOM 19070 C4 U B 887 -23.021 86.918 26.281 1.00 0.00 C ATOM 19071 O4 U B 887 -23.127 87.579 27.317 1.00 0.00 O ATOM 19072 C5 U B 887 -23.147 85.484 26.186 1.00 0.00 C ATOM 19073 C6 U B 887 -23.016 84.862 25.003 1.00 0.00 C ATOM 19074 P C B 888 -18.628 81.336 22.207 1.00 0.00 P ATOM 19075 O1P C B 888 -19.355 80.822 21.026 1.00 0.00 O ATOM 19076 O2P C B 888 -18.330 80.344 23.260 1.00 0.00 O ATOM 19077 O5* C B 888 -17.143 82.264 21.713 1.00 0.00 O ATOM 19078 C5* C B 888 -16.159 82.802 20.816 1.00 0.00 C ATOM 19079 C4* C B 888 -16.106 84.428 20.805 1.00 0.00 C ATOM 19080 O4* C B 888 -17.380 85.134 20.882 1.00 0.00 O ATOM 19081 C3* C B 888 -15.187 85.224 21.732 1.00 0.00 C ATOM 19082 O3* C B 888 -13.687 84.944 21.588 1.00 0.00 O ATOM 19083 C2* C B 888 -15.661 86.656 21.499 1.00 0.00 C ATOM 19084 O2* C B 888 -15.177 87.152 20.265 1.00 0.00 O ATOM 19085 C1* C B 888 -17.167 86.457 21.340 1.00 0.00 C ATOM 19086 N1 C B 888 -18.070 86.683 22.770 1.00 0.00 N ATOM 19087 C2 C B 888 -18.161 87.971 23.283 1.00 0.00 C ATOM 19088 O2 C B 888 -17.590 88.895 22.691 1.00 0.00 O ATOM 19089 N3 C B 888 -18.875 88.174 24.423 1.00 0.00 N ATOM 19090 C4 C B 888 -19.480 87.150 25.035 1.00 0.00 C ATOM 19091 N4 C B 888 -20.164 87.398 26.143 1.00 0.00 N ATOM 19092 C5 C B 888 -19.396 85.813 24.525 1.00 0.00 C ATOM 19093 C6 C B 888 -18.680 85.638 23.386 1.00 0.00 C ATOM 19094 P C B 889 -12.927 84.054 22.991 1.00 0.00 P ATOM 19095 O1P C B 889 -11.923 83.063 22.541 1.00 0.00 O ATOM 19096 O2P C B 889 -13.937 83.558 23.949 1.00 0.00 O ATOM 19097 O5* C B 889 -12.134 85.589 23.549 1.00 0.00 O ATOM 19098 C5* C B 889 -11.469 86.848 23.401 1.00 0.00 C ATOM 19099 C4* C B 889 -11.986 87.979 24.445 1.00 0.00 C ATOM 19100 O4* C B 889 -13.376 88.398 24.356 1.00 0.00 O ATOM 19101 C3* C B 889 -11.721 87.904 25.953 1.00 0.00 C ATOM 19102 O3* C B 889 -10.254 87.817 26.376 1.00 0.00 O ATOM 19103 C2* C B 889 -12.549 89.070 26.483 1.00 0.00 C ATOM 19104 O2* C B 889 -11.905 90.304 26.230 1.00 0.00 O ATOM 19105 C1* C B 889 -13.771 89.016 25.570 1.00 0.00 C ATOM 19106 N1 C B 889 -15.098 88.149 26.207 1.00 0.00 N ATOM 19107 C2 C B 889 -15.932 88.806 27.110 1.00 0.00 C ATOM 19108 O2 C B 889 -15.674 89.979 27.411 1.00 0.00 O ATOM 19109 N3 C B 889 -16.995 88.139 27.616 1.00 0.00 N ATOM 19110 C4 C B 889 -17.241 86.869 27.262 1.00 0.00 C ATOM 19111 N4 C B 889 -18.293 86.264 27.787 1.00 0.00 N ATOM 19112 C5 C B 889 -16.396 86.177 26.339 1.00 0.00 C ATOM 19113 C6 C B 889 -15.337 86.861 25.842 1.00 0.00 C ATOM 19114 P C B 890 -9.850 86.377 27.423 1.00 0.00 P ATOM 19115 O1P C B 890 -8.425 85.996 27.298 1.00 0.00 O ATOM 19116 O2P C B 890 -10.823 85.278 27.271 1.00 0.00 O ATOM 19117 O5* C B 890 -10.156 87.361 28.917 1.00 0.00 O ATOM 19118 C5* C B 890 -10.351 88.542 29.699 1.00 0.00 C ATOM 19119 C4* C B 890 -11.585 88.438 30.746 1.00 0.00 C ATOM 19120 O4* C B 890 -12.949 88.540 30.236 1.00 0.00 O ATOM 19121 C3* C B 890 -11.680 87.375 31.844 1.00 0.00 C ATOM 19122 O3* C B 890 -10.527 87.219 32.798 1.00 0.00 O ATOM 19123 C2* C B 890 -13.056 87.661 32.442 1.00 0.00 C ATOM 19124 O2* C B 890 -13.017 88.809 33.276 1.00 0.00 O ATOM 19125 C1* C B 890 -13.857 88.037 31.202 1.00 0.00 C ATOM 19126 N1 C B 890 -14.727 86.752 30.502 1.00 0.00 N ATOM 19127 C2 C B 890 -16.011 86.504 30.975 1.00 0.00 C ATOM 19128 O2 C B 890 -16.466 87.217 31.878 1.00 0.00 O ATOM 19129 N3 C B 890 -16.724 85.481 30.426 1.00 0.00 N ATOM 19130 C4 C B 890 -16.198 84.729 29.450 1.00 0.00 C ATOM 19131 N4 C B 890 -16.931 83.752 28.945 1.00 0.00 N ATOM 19132 C5 C B 890 -14.879 84.976 28.951 1.00 0.00 C ATOM 19133 C6 C B 890 -14.184 85.993 29.515 1.00 0.00 C ATOM 19134 P G B 891 -9.773 85.558 32.814 1.00 0.00 P ATOM 19135 O1P G B 891 -8.482 85.705 33.519 1.00 0.00 O ATOM 19136 O2P G B 891 -9.729 84.813 31.538 1.00 0.00 O ATOM 19137 O5* G B 891 -10.851 84.888 33.794 1.00 0.00 O ATOM 19138 C5* G B 891 -11.121 85.511 35.062 1.00 0.00 C ATOM 19139 C4* G B 891 -12.252 84.786 35.763 1.00 0.00 C ATOM 19140 O4* G B 891 -13.485 85.009 35.021 1.00 0.00 O ATOM 19141 C3* G B 891 -12.130 83.264 35.829 1.00 0.00 C ATOM 19142 O3* G B 891 -11.343 82.860 36.906 1.00 0.00 O ATOM 19143 C2* G B 891 -13.588 82.830 35.971 1.00 0.00 C ATOM 19144 O2* G B 891 -14.052 83.053 37.292 1.00 0.00 O ATOM 19145 C1* G B 891 -14.296 83.847 35.078 1.00 0.00 C ATOM 19146 N9 G B 891 -14.511 83.366 33.684 1.00 0.00 N ATOM 19147 C8 G B 891 -13.858 83.733 32.526 1.00 0.00 C ATOM 19148 N7 G B 891 -14.292 83.118 31.452 1.00 0.00 N ATOM 19149 C5 G B 891 -15.305 82.287 31.932 1.00 0.00 C ATOM 19150 C6 G B 891 -16.143 81.377 31.238 1.00 0.00 C ATOM 19151 O6 G B 891 -16.170 81.112 30.039 1.00 0.00 O ATOM 19152 N1 G B 891 -17.033 80.737 32.110 1.00 0.00 N ATOM 19153 C2 G B 891 -17.103 80.947 33.474 1.00 0.00 C ATOM 19154 N2 G B 891 -18.023 80.237 34.133 1.00 0.00 N ATOM 19155 N3 G B 891 -16.315 81.799 34.123 1.00 0.00 N ATOM 19156 C4 G B 891 -15.445 82.432 33.290 1.00 0.00 C ATOM 19157 P A B 892 -10.419 81.524 36.745 1.00 0.00 P ATOM 19158 O1P A B 892 -9.404 81.469 37.822 1.00 0.00 O ATOM 19159 O2P A B 892 -9.892 81.454 35.363 1.00 0.00 O ATOM 19160 O5* A B 892 -11.509 80.375 36.968 1.00 0.00 O ATOM 19161 C5* A B 892 -12.213 80.315 38.222 1.00 0.00 C ATOM 19162 C4* A B 892 -13.277 79.236 38.170 1.00 0.00 C ATOM 19163 O4* A B 892 -14.312 79.642 37.227 1.00 0.00 O ATOM 19164 C3* A B 892 -12.820 77.873 37.648 1.00 0.00 C ATOM 19165 O3* A B 892 -12.241 77.108 38.659 1.00 0.00 O ATOM 19166 C2* A B 892 -14.125 77.276 37.128 1.00 0.00 C ATOM 19167 O2* A B 892 -14.930 76.819 38.201 1.00 0.00 O ATOM 19168 C1* A B 892 -14.816 78.505 36.547 1.00 0.00 C ATOM 19169 N9 A B 892 -14.573 78.694 35.091 1.00 0.00 N ATOM 19170 C8 A B 892 -13.764 79.617 34.459 1.00 0.00 C ATOM 19171 N7 A B 892 -13.769 79.522 33.164 1.00 0.00 N ATOM 19172 C5 A B 892 -14.637 78.468 32.909 1.00 0.00 C ATOM 19173 C6 A B 892 -15.070 77.865 31.717 1.00 0.00 C ATOM 19174 N6 A B 892 -14.668 78.261 30.501 1.00 0.00 N ATOM 19175 N1 A B 892 -15.934 76.840 31.818 1.00 0.00 N ATOM 19176 C2 A B 892 -16.329 76.452 33.030 1.00 0.00 C ATOM 19177 N3 A B 892 -15.993 76.933 34.208 1.00 0.00 N ATOM 19178 C4 A B 892 -15.128 77.961 34.078 1.00 0.00 C ATOM 19179 P C B 893 -11.015 76.100 38.276 1.00 0.00 P ATOM 19180 O1P C B 893 -10.307 75.667 39.499 1.00 0.00 O ATOM 19181 O2P C B 893 -10.174 76.724 37.229 1.00 0.00 O ATOM 19182 O5* C B 893 -11.826 74.867 37.654 1.00 0.00 O ATOM 19183 C5* C B 893 -12.777 74.169 38.481 1.00 0.00 C ATOM 19184 C4* C B 893 -13.512 73.129 37.659 1.00 0.00 C ATOM 19185 O4* C B 893 -14.356 73.808 36.684 1.00 0.00 O ATOM 19186 C3* C B 893 -12.634 72.211 36.808 1.00 0.00 C ATOM 19187 O3* C B 893 -12.152 71.133 37.547 1.00 0.00 O ATOM 19188 C2* C B 893 -13.598 71.782 35.703 1.00 0.00 C ATOM 19189 O2* C B 893 -14.507 70.805 36.180 1.00 0.00 O ATOM 19190 C1* C B 893 -14.400 73.062 35.480 1.00 0.00 C ATOM 19191 N1 C B 893 -13.865 73.919 34.387 1.00 0.00 N ATOM 19192 C2 C B 893 -14.073 73.504 33.075 1.00 0.00 C ATOM 19193 O2 C B 893 -14.688 72.449 32.872 1.00 0.00 O ATOM 19194 N3 C B 893 -13.594 74.272 32.063 1.00 0.00 N ATOM 19195 C4 C B 893 -12.934 75.407 32.321 1.00 0.00 C ATOM 19196 N4 C B 893 -12.487 76.121 31.303 1.00 0.00 N ATOM 19197 C5 C B 893 -12.709 75.852 33.665 1.00 0.00 C ATOM 19198 C6 C B 893 -13.196 75.071 34.662 1.00 0.00 C ATOM 19199 P U B 894 -10.668 70.547 37.202 1.00 0.00 P ATOM 19200 O1P U B 894 -10.192 69.679 38.302 1.00 0.00 O ATOM 19201 O2P U B 894 -9.773 71.661 36.827 1.00 0.00 O ATOM 19202 O5* U B 894 -10.992 69.656 35.912 1.00 0.00 O ATOM 19203 C5* U B 894 -11.920 68.562 36.033 1.00 0.00 C ATOM 19204 C4* U B 894 -12.172 67.942 34.675 1.00 0.00 C ATOM 19205 O4* U B 894 -12.895 68.895 33.846 1.00 0.00 O ATOM 19206 C3* U B 894 -10.924 67.610 33.854 1.00 0.00 C ATOM 19207 O3* U B 894 -10.395 66.371 34.207 1.00 0.00 O ATOM 19208 C2* U B 894 -11.468 67.631 32.426 1.00 0.00 C ATOM 19209 O2* U B 894 -12.206 66.456 32.149 1.00 0.00 O ATOM 19210 C1* U B 894 -12.470 68.780 32.497 1.00 0.00 C ATOM 19211 N1 U B 894 -11.906 70.094 32.077 1.00 0.00 N ATOM 19212 C2 U B 894 -11.699 70.285 30.733 1.00 0.00 C ATOM 19213 O2 U B 894 -11.953 69.436 29.895 1.00 0.00 O ATOM 19214 N3 U B 894 -11.178 71.514 30.382 1.00 0.00 N ATOM 19215 C4 U B 894 -10.851 72.541 31.245 1.00 0.00 C ATOM 19216 O4 U B 894 -10.389 73.601 30.811 1.00 0.00 O ATOM 19217 C5 U B 894 -11.103 72.247 32.635 1.00 0.00 C ATOM 19218 C6 U B 894 -11.611 71.059 33.004 1.00 0.00 C ATOM 19219 P U B 895 -8.775 66.164 34.146 1.00 0.00 P ATOM 19220 O1P U B 895 -8.387 64.945 34.891 1.00 0.00 O ATOM 19221 O2P U B 895 -8.104 67.416 34.563 1.00 0.00 O ATOM 19222 O5* U B 895 -8.561 65.931 32.578 1.00 0.00 O ATOM 19223 C5* U B 895 -9.207 64.811 31.943 1.00 0.00 C ATOM 19224 C4* U B 895 -8.971 64.857 30.447 1.00 0.00 C ATOM 19225 O4* U B 895 -9.679 66.004 29.893 1.00 0.00 O ATOM 19226 C3* U B 895 -7.523 65.070 30.008 1.00 0.00 C ATOM 19227 O3* U B 895 -6.815 63.869 29.977 1.00 0.00 O ATOM 19228 C2* U B 895 -7.697 65.685 28.622 1.00 0.00 C ATOM 19229 O2* U B 895 -8.049 64.692 27.672 1.00 0.00 O ATOM 19230 C1* U B 895 -8.929 66.561 28.825 1.00 0.00 C ATOM 19231 N1 U B 895 -8.607 67.973 29.178 1.00 0.00 N ATOM 19232 C2 U B 895 -8.133 68.777 28.168 1.00 0.00 C ATOM 19233 O2 U B 895 -7.974 68.382 27.025 1.00 0.00 O ATOM 19234 N3 U B 895 -7.847 70.079 28.532 1.00 0.00 N ATOM 19235 C4 U B 895 -7.991 70.628 29.790 1.00 0.00 C ATOM 19236 O4 U B 895 -7.701 71.809 29.995 1.00 0.00 O ATOM 19237 C5 U B 895 -8.492 69.706 30.781 1.00 0.00 C ATOM 19238 C6 U B 895 -8.780 68.434 30.455 1.00 0.00 C ATOM 19239 P A B 896 -7.494 62.157 29.779 1.00 0.00 P ATOM 19240 O1P A B 896 -8.488 62.061 28.688 1.00 0.00 O ATOM 19241 O2P A B 896 -7.916 61.593 31.083 1.00 0.00 O ATOM 19242 O5* A B 896 -5.905 61.424 29.223 1.00 0.00 O ATOM 19243 C5* A B 896 -5.055 61.154 28.078 1.00 0.00 C ATOM 19244 C4* A B 896 -4.624 62.567 27.382 1.00 0.00 C ATOM 19245 O4* A B 896 -5.103 62.886 26.044 1.00 0.00 O ATOM 19246 C3* A B 896 -4.993 63.801 28.210 1.00 0.00 C ATOM 19247 O3* A B 896 -3.684 63.868 29.199 1.00 0.00 O ATOM 19248 C2* A B 896 -4.776 64.931 27.206 1.00 0.00 C ATOM 19249 O2* A B 896 -3.395 65.206 27.048 1.00 0.00 O ATOM 19250 C1* A B 896 -5.253 64.292 25.908 1.00 0.00 C ATOM 19251 N9 A B 896 -6.837 64.615 25.514 1.00 0.00 N ATOM 19252 C8 A B 896 -7.904 63.742 25.474 1.00 0.00 C ATOM 19253 N7 A B 896 -8.980 64.252 24.956 1.00 0.00 N ATOM 19254 C5 A B 896 -8.612 65.552 24.633 1.00 0.00 C ATOM 19255 C6 A B 896 -9.314 66.615 24.046 1.00 0.00 C ATOM 19256 N6 A B 896 -10.596 66.534 23.663 1.00 0.00 N ATOM 19257 N1 A B 896 -8.649 67.769 23.864 1.00 0.00 N ATOM 19258 C2 A B 896 -7.375 67.845 24.246 1.00 0.00 C ATOM 19259 N3 A B 896 -6.617 66.924 24.798 1.00 0.00 N ATOM 19260 C4 A B 896 -7.310 65.780 24.969 1.00 0.00 C ATOM 19261 P C B 897 -1.933 63.304 28.678 1.00 0.00 P ATOM 19262 O1P C B 897 -1.900 61.831 28.524 1.00 0.00 O ATOM 19263 O2P C B 897 -0.992 63.869 29.670 1.00 0.00 O ATOM 19264 O5* C B 897 -1.705 64.000 27.257 1.00 0.00 O ATOM 19265 C5* C B 897 -2.138 63.318 26.066 1.00 0.00 C ATOM 19266 C4* C B 897 -1.938 64.206 24.854 1.00 0.00 C ATOM 19267 O4* C B 897 -2.859 65.329 24.941 1.00 0.00 O ATOM 19268 C3* C B 897 -0.564 64.865 24.730 1.00 0.00 C ATOM 19269 O3* C B 897 0.358 64.012 24.126 1.00 0.00 O ATOM 19270 C2* C B 897 -0.873 66.095 23.880 1.00 0.00 C ATOM 19271 O2* C B 897 -1.048 65.736 22.521 1.00 0.00 O ATOM 19272 C1* C B 897 -2.246 66.496 24.411 1.00 0.00 C ATOM 19273 N1 C B 897 -2.194 67.521 25.492 1.00 0.00 N ATOM 19274 C2 C B 897 -1.898 68.831 25.132 1.00 0.00 C ATOM 19275 O2 C B 897 -1.691 69.089 23.941 1.00 0.00 O ATOM 19276 N3 C B 897 -1.844 69.779 26.102 1.00 0.00 N ATOM 19277 C4 C B 897 -2.074 69.457 27.382 1.00 0.00 C ATOM 19278 N4 C B 897 -2.009 70.420 28.290 1.00 0.00 N ATOM 19279 C5 C B 897 -2.380 68.115 27.774 1.00 0.00 C ATOM 19280 C6 C B 897 -2.428 67.184 26.789 1.00 0.00 C ATOM 19281 P C B 898 1.920 64.087 24.596 1.00 0.00 P ATOM 19282 O1P C B 898 2.653 62.888 24.127 1.00 0.00 O ATOM 19283 O2P C B 898 1.983 64.351 26.051 1.00 0.00 O ATOM 19284 O5* C B 898 2.417 65.375 23.790 1.00 0.00 O ATOM 19285 C5* C B 898 2.354 65.364 22.350 1.00 0.00 C ATOM 19286 C4* C B 898 2.752 66.721 21.806 1.00 0.00 C ATOM 19287 O4* C B 898 1.734 67.695 22.172 1.00 0.00 O ATOM 19288 C3* C B 898 4.046 67.312 22.367 1.00 0.00 C ATOM 19289 O3* C B 898 5.163 66.828 21.692 1.00 0.00 O ATOM 19290 C2* C B 898 3.832 68.809 22.155 1.00 0.00 C ATOM 19291 O2* C B 898 4.027 69.158 20.794 1.00 0.00 O ATOM 19292 C1* C B 898 2.339 68.950 22.437 1.00 0.00 C ATOM 19293 N1 C B 898 2.030 69.322 23.846 1.00 0.00 N ATOM 19294 C2 C B 898 2.278 70.633 24.242 1.00 0.00 C ATOM 19295 O2 C B 898 2.740 71.428 23.413 1.00 0.00 O ATOM 19296 N3 C B 898 2.003 70.993 25.522 1.00 0.00 N ATOM 19297 C4 C B 898 1.505 70.101 26.388 1.00 0.00 C ATOM 19298 N4 C B 898 1.253 70.502 27.625 1.00 0.00 N ATOM 19299 C5 C B 898 1.242 68.749 26.001 1.00 0.00 C ATOM 19300 C6 C B 898 1.525 68.409 24.719 1.00 0.00 C ATOM 19301 P A B 899 6.254 65.897 22.790 1.00 0.00 P ATOM 19302 O1P A B 899 7.181 64.961 22.116 1.00 0.00 O ATOM 19303 O2P A B 899 5.519 65.350 23.949 1.00 0.00 O ATOM 19304 O5* A B 899 6.958 67.540 23.035 1.00 0.00 O ATOM 19305 C5* A B 899 6.464 68.698 22.335 1.00 0.00 C ATOM 19306 C4* A B 899 6.880 70.196 22.805 1.00 0.00 C ATOM 19307 O4* A B 899 7.267 71.015 21.661 1.00 0.00 O ATOM 19308 C3* A B 899 5.987 71.122 23.634 1.00 0.00 C ATOM 19309 O3* A B 899 5.854 70.710 25.181 1.00 0.00 O ATOM 19310 C2* A B 899 6.661 72.480 23.432 1.00 0.00 C ATOM 19311 O2* A B 899 7.837 72.577 24.220 1.00 0.00 O ATOM 19312 C1* A B 899 7.106 72.388 21.978 1.00 0.00 C ATOM 19313 N9 A B 899 6.030 73.068 20.866 1.00 0.00 N ATOM 19314 C8 A B 899 4.708 72.743 20.644 1.00 0.00 C ATOM 19315 N7 A B 899 4.080 73.576 19.877 1.00 0.00 N ATOM 19316 C5 A B 899 5.040 74.524 19.549 1.00 0.00 C ATOM 19317 C6 A B 899 4.998 75.681 18.756 1.00 0.00 C ATOM 19318 N6 A B 899 3.900 76.095 18.111 1.00 0.00 N ATOM 19319 N1 A B 899 6.134 76.396 18.647 1.00 0.00 N ATOM 19320 C2 A B 899 7.222 75.977 19.291 1.00 0.00 C ATOM 19321 N3 A B 899 7.380 74.920 20.057 1.00 0.00 N ATOM 19322 C4 A B 899 6.229 74.222 20.150 1.00 0.00 C ATOM 19323 P A B 900 5.424 69.019 25.851 1.00 0.00 P ATOM 19324 O1P A B 900 5.868 67.999 24.877 1.00 0.00 O ATOM 19325 O2P A B 900 4.019 68.916 26.298 1.00 0.00 O ATOM 19326 O5* A B 900 6.181 68.917 27.556 1.00 0.00 O ATOM 19327 C5* A B 900 5.296 68.377 28.611 1.00 0.00 C ATOM 19328 C4* A B 900 5.979 67.631 29.868 1.00 0.00 C ATOM 19329 O4* A B 900 5.848 68.053 31.255 1.00 0.00 O ATOM 19330 C3* A B 900 6.615 66.246 29.963 1.00 0.00 C ATOM 19331 O3* A B 900 7.181 65.710 28.643 1.00 0.00 O ATOM 19332 C2* A B 900 7.553 66.404 31.159 1.00 0.00 C ATOM 19333 O2* A B 900 8.714 67.126 30.784 1.00 0.00 O ATOM 19334 C1* A B 900 6.736 67.314 32.073 1.00 0.00 C ATOM 19335 N9 A B 900 5.829 66.502 33.245 1.00 0.00 N ATOM 19336 C8 A B 900 6.263 65.605 34.192 1.00 0.00 C ATOM 19337 N7 A B 900 5.309 65.030 34.854 1.00 0.00 N ATOM 19338 C5 A B 900 4.153 65.576 34.313 1.00 0.00 C ATOM 19339 C6 A B 900 2.792 65.373 34.591 1.00 0.00 C ATOM 19340 N6 A B 900 2.346 64.523 35.526 1.00 0.00 N ATOM 19341 N1 A B 900 1.900 66.081 33.872 1.00 0.00 N ATOM 19342 C2 A B 900 2.351 66.924 32.943 1.00 0.00 C ATOM 19343 N3 A B 900 3.592 67.192 32.597 1.00 0.00 N ATOM 19344 C4 A B 900 4.461 66.473 33.331 1.00 0.00 C ATOM 19345 P C B 901 5.975 64.936 27.507 1.00 0.00 P ATOM 19346 O1P C B 901 4.780 65.776 27.275 1.00 0.00 O ATOM 19347 O2P C B 901 5.711 63.525 27.863 1.00 0.00 O ATOM 19348 O5* C B 901 7.165 65.070 26.142 1.00 0.00 O ATOM 19349 C5* C B 901 8.372 65.065 25.362 1.00 0.00 C ATOM 19350 C4* C B 901 9.539 64.067 25.897 1.00 0.00 C ATOM 19351 O4* C B 901 10.118 64.054 27.233 1.00 0.00 O ATOM 19352 C3* C B 901 8.779 62.738 25.815 1.00 0.00 C ATOM 19353 O3* C B 901 8.358 62.849 24.289 1.00 0.00 O ATOM 19354 C2* C B 901 9.685 61.799 26.609 1.00 0.00 C ATOM 19355 O2* C B 901 10.819 61.427 25.847 1.00 0.00 O ATOM 19356 C1* C B 901 10.182 62.723 27.716 1.00 0.00 C ATOM 19357 N1 C B 901 9.284 62.636 29.178 1.00 0.00 N ATOM 19358 C2 C B 901 9.405 61.481 29.948 1.00 0.00 C ATOM 19359 O2 C B 901 10.110 60.553 29.529 1.00 0.00 O ATOM 19360 N3 C B 901 8.747 61.411 31.135 1.00 0.00 N ATOM 19361 C4 C B 901 7.993 62.433 31.556 1.00 0.00 C ATOM 19362 N4 C B 901 7.368 62.322 32.717 1.00 0.00 N ATOM 19363 C5 C B 901 7.854 63.636 30.778 1.00 0.00 C ATOM 19364 C6 C B 901 8.521 63.681 29.598 1.00 0.00 C ATOM 19365 P C B 902 9.647 63.223 22.899 1.00 0.00 P ATOM 19366 O1P C B 902 9.035 62.559 21.726 1.00 0.00 O ATOM 19367 O2P C B 902 10.860 62.572 23.446 1.00 0.00 O ATOM 19368 O5* C B 902 9.965 64.754 22.551 1.00 0.00 O ATOM 19369 C5* C B 902 9.789 65.211 21.197 1.00 0.00 C ATOM 19370 C4* C B 902 10.023 66.706 21.123 1.00 0.00 C ATOM 19371 O4* C B 902 8.953 67.387 21.841 1.00 0.00 O ATOM 19372 C3* C B 902 11.298 67.217 21.795 1.00 0.00 C ATOM 19373 O3* C B 902 12.400 67.110 20.948 1.00 0.00 O ATOM 19374 C2* C B 902 10.935 68.666 22.106 1.00 0.00 C ATOM 19375 O2* C B 902 10.993 69.465 20.937 1.00 0.00 O ATOM 19376 C1* C B 902 9.462 68.541 22.486 1.00 0.00 C ATOM 19377 N1 C B 902 9.231 68.390 23.950 1.00 0.00 N ATOM 19378 C2 C B 902 9.389 69.519 24.751 1.00 0.00 C ATOM 19379 O2 C B 902 9.713 70.587 24.220 1.00 0.00 O ATOM 19380 N3 C B 902 9.185 69.402 26.088 1.00 0.00 N ATOM 19381 C4 C B 902 8.835 68.226 26.625 1.00 0.00 C ATOM 19382 N4 C B 902 8.646 68.165 27.934 1.00 0.00 N ATOM 19383 C5 C B 902 8.668 67.056 25.817 1.00 0.00 C ATOM 19384 C6 C B 902 8.876 67.193 24.486 1.00 0.00 C ATOM 19385 P C B 903 13.861 66.784 21.601 1.00 0.00 P ATOM 19386 O1P C B 903 14.806 66.351 20.547 1.00 0.00 O ATOM 19387 O2P C B 903 13.696 65.855 22.741 1.00 0.00 O ATOM 19388 O5* C B 903 14.279 68.234 22.137 1.00 0.00 O ATOM 19389 C5* C B 903 14.406 69.315 21.198 1.00 0.00 C ATOM 19390 C4* C B 903 14.682 70.610 21.934 1.00 0.00 C ATOM 19391 O4* C B 903 13.498 70.980 22.700 1.00 0.00 O ATOM 19392 C3* C B 903 15.797 70.560 22.980 1.00 0.00 C ATOM 19393 O3* C B 903 17.050 70.743 22.398 1.00 0.00 O ATOM 19394 C2* C B 903 15.409 71.699 23.916 1.00 0.00 C ATOM 19395 O2* C B 903 15.733 72.954 23.342 1.00 0.00 O ATOM 19396 C1* C B 903 13.887 71.593 23.920 1.00 0.00 C ATOM 19397 N1 C B 903 13.348 70.772 25.040 1.00 0.00 N ATOM 19398 C2 C B 903 13.359 71.328 26.316 1.00 0.00 C ATOM 19399 O2 C B 903 13.812 72.469 26.465 1.00 0.00 O ATOM 19400 N3 C B 903 12.872 70.596 27.351 1.00 0.00 N ATOM 19401 C4 C B 903 12.390 69.364 27.147 1.00 0.00 C ATOM 19402 N4 C B 903 11.925 68.691 28.190 1.00 0.00 N ATOM 19403 C5 C B 903 12.369 68.773 25.842 1.00 0.00 C ATOM 19404 C6 C B 903 12.862 69.520 24.822 1.00 0.00 C ATOM 19405 P G B 904 18.331 69.958 23.035 1.00 0.00 P ATOM 19406 O1P G B 904 19.469 69.980 22.088 1.00 0.00 O ATOM 19407 O2P G B 904 17.908 68.617 23.498 1.00 0.00 O ATOM 19408 O5* G B 904 18.659 70.887 24.295 1.00 0.00 O ATOM 19409 C5* G B 904 19.008 72.266 24.074 1.00 0.00 C ATOM 19410 C4* G B 904 19.151 72.985 25.401 1.00 0.00 C ATOM 19411 O4* G B 904 17.840 73.074 26.032 1.00 0.00 O ATOM 19412 C3* G B 904 20.018 72.284 26.447 1.00 0.00 C ATOM 19413 O3* G B 904 21.368 72.567 26.265 1.00 0.00 O ATOM 19414 C2* G B 904 19.466 72.853 27.753 1.00 0.00 C ATOM 19415 O2* G B 904 19.932 74.176 27.959 1.00 0.00 O ATOM 19416 C1* G B 904 17.976 72.953 27.439 1.00 0.00 C ATOM 19417 N9 G B 904 17.192 71.763 27.875 1.00 0.00 N ATOM 19418 C8 G B 904 16.653 70.749 27.115 1.00 0.00 C ATOM 19419 N7 G B 904 16.013 69.841 27.812 1.00 0.00 N ATOM 19420 C5 G B 904 16.138 70.286 29.129 1.00 0.00 C ATOM 19421 C6 G B 904 15.651 69.719 30.334 1.00 0.00 C ATOM 19422 O6 G B 904 14.998 68.690 30.494 1.00 0.00 O ATOM 19423 N1 G B 904 16.005 70.498 31.444 1.00 0.00 N ATOM 19424 C2 G B 904 16.734 71.670 31.396 1.00 0.00 C ATOM 19425 N2 G B 904 16.968 72.263 32.569 1.00 0.00 N ATOM 19426 N3 G B 904 17.192 72.199 30.266 1.00 0.00 N ATOM 19427 C4 G B 904 16.857 71.458 29.177 1.00 0.00 C ATOM 19428 P A B 905 22.469 71.416 26.625 1.00 0.00 P ATOM 19429 O1P A B 905 23.780 71.758 26.030 1.00 0.00 O ATOM 19430 O2P A B 905 21.924 70.087 26.262 1.00 0.00 O ATOM 19431 O5* A B 905 22.542 71.555 28.217 1.00 0.00 O ATOM 19432 C5* A B 905 22.960 72.807 28.789 1.00 0.00 C ATOM 19433 C4* A B 905 22.836 72.756 30.299 1.00 0.00 C ATOM 19434 O4* A B 905 21.424 72.688 30.653 1.00 0.00 O ATOM 19435 C3* A B 905 23.443 71.526 30.975 1.00 0.00 C ATOM 19436 O3* A B 905 24.809 71.689 31.198 1.00 0.00 O ATOM 19437 C2* A B 905 22.641 71.446 32.272 1.00 0.00 C ATOM 19438 O2* A B 905 23.084 72.422 33.199 1.00 0.00 O ATOM 19439 C1* A B 905 21.255 71.875 31.801 1.00 0.00 C ATOM 19440 N9 A B 905 20.369 70.735 31.432 1.00 0.00 N ATOM 19441 C8 A B 905 19.984 70.307 30.181 1.00 0.00 C ATOM 19442 N7 A B 905 19.198 69.274 30.197 1.00 0.00 N ATOM 19443 C5 A B 905 19.045 68.989 31.547 1.00 0.00 C ATOM 19444 C6 A B 905 18.324 67.996 32.232 1.00 0.00 C ATOM 19445 N6 A B 905 17.584 67.064 31.616 1.00 0.00 N ATOM 19446 N1 A B 905 18.389 67.998 33.575 1.00 0.00 N ATOM 19447 C2 A B 905 19.127 68.928 34.182 1.00 0.00 C ATOM 19448 N3 A B 905 19.840 69.899 33.651 1.00 0.00 N ATOM 19449 C4 A B 905 19.758 69.873 32.305 1.00 0.00 C ATOM 19450 P U B 906 25.822 70.513 30.301 1.00 0.00 P ATOM 19451 O1P U B 906 27.283 70.726 30.443 1.00 0.00 O ATOM 19452 O2P U B 906 25.335 70.308 28.916 1.00 0.00 O ATOM 19453 O5* U B 906 25.101 69.370 31.516 1.00 0.00 O ATOM 19454 C5* U B 906 23.842 68.709 31.851 1.00 0.00 C ATOM 19455 C4* U B 906 23.689 67.454 30.853 1.00 0.00 C ATOM 19456 O4* U B 906 22.456 66.844 30.371 1.00 0.00 O ATOM 19457 C3* U B 906 24.591 67.480 29.618 1.00 0.00 C ATOM 19458 O3* U B 906 26.004 67.822 30.054 1.00 0.00 O ATOM 19459 C2* U B 906 24.216 66.179 28.915 1.00 0.00 C ATOM 19460 O2* U B 906 24.803 65.067 29.570 1.00 0.00 O ATOM 19461 C1* U B 906 22.717 66.108 29.184 1.00 0.00 C ATOM 19462 N1 U B 906 21.755 66.727 27.956 1.00 0.00 N ATOM 19463 C2 U B 906 22.280 66.718 26.688 1.00 0.00 C ATOM 19464 O2 U B 906 23.438 66.411 26.454 1.00 0.00 O ATOM 19465 N3 U B 906 21.413 67.078 25.679 1.00 0.00 N ATOM 19466 C4 U B 906 20.091 67.439 25.829 1.00 0.00 C ATOM 19467 O4 U B 906 19.406 67.742 24.845 1.00 0.00 O ATOM 19468 C5 U B 906 19.627 67.423 27.195 1.00 0.00 C ATOM 19469 C6 U B 906 20.451 67.076 28.194 1.00 0.00 C ATOM 19470 P G B 907 27.046 66.598 30.968 1.00 0.00 P ATOM 19471 O1P G B 907 28.303 67.137 31.532 1.00 0.00 O ATOM 19472 O2P G B 907 27.200 65.592 29.889 1.00 0.00 O ATOM 19473 O5* G B 907 26.138 65.998 32.140 1.00 0.00 O ATOM 19474 C5* G B 907 25.765 66.849 33.240 1.00 0.00 C ATOM 19475 C4* G B 907 24.811 66.119 34.162 1.00 0.00 C ATOM 19476 O4* G B 907 23.549 65.907 33.465 1.00 0.00 O ATOM 19477 C3* G B 907 25.238 64.711 34.582 1.00 0.00 C ATOM 19478 O3* G B 907 26.104 64.744 35.674 1.00 0.00 O ATOM 19479 C2* G B 907 23.898 64.056 34.912 1.00 0.00 C ATOM 19480 O2* G B 907 23.417 64.499 36.167 1.00 0.00 O ATOM 19481 C1* G B 907 22.989 64.662 33.848 1.00 0.00 C ATOM 19482 N9 G B 907 22.856 63.821 32.624 1.00 0.00 N ATOM 19483 C8 G B 907 23.408 64.008 31.377 1.00 0.00 C ATOM 19484 N7 G B 907 23.096 63.078 30.509 1.00 0.00 N ATOM 19485 C5 G B 907 22.276 62.211 31.233 1.00 0.00 C ATOM 19486 C6 G B 907 21.628 61.016 30.831 1.00 0.00 C ATOM 19487 O6 G B 907 21.642 60.463 29.735 1.00 0.00 O ATOM 19488 N1 G B 907 20.897 60.451 31.886 1.00 0.00 N ATOM 19489 C2 G B 907 20.803 60.974 33.161 1.00 0.00 C ATOM 19490 N2 G B 907 20.055 60.284 34.025 1.00 0.00 N ATOM 19491 N3 G B 907 21.412 62.095 33.537 1.00 0.00 N ATOM 19492 C4 G B 907 22.126 62.658 32.525 1.00 0.00 C ATOM 19493 P C B 908 27.276 63.613 35.779 1.00 0.00 P ATOM 19494 O1P C B 908 28.294 64.021 36.773 1.00 0.00 O ATOM 19495 O2P C B 908 27.788 63.305 34.425 1.00 0.00 O ATOM 19496 O5* C B 908 26.442 62.365 36.338 1.00 0.00 O ATOM 19497 C5* C B 908 25.779 62.486 37.610 1.00 0.00 C ATOM 19498 C4* C B 908 24.954 61.244 37.884 1.00 0.00 C ATOM 19499 O4* C B 908 23.847 61.197 36.939 1.00 0.00 O ATOM 19500 C3* C B 908 25.672 59.908 37.674 1.00 0.00 C ATOM 19501 O3* C B 908 26.404 59.541 38.802 1.00 0.00 O ATOM 19502 C2* C B 908 24.507 58.960 37.396 1.00 0.00 C ATOM 19503 O2* C B 908 23.823 58.636 38.595 1.00 0.00 O ATOM 19504 C1* C B 908 23.574 59.852 36.580 1.00 0.00 C ATOM 19505 N1 C B 908 23.756 59.720 35.109 1.00 0.00 N ATOM 19506 C2 C B 908 23.271 58.568 34.495 1.00 0.00 C ATOM 19507 O2 C B 908 22.715 57.711 35.190 1.00 0.00 O ATOM 19508 N3 C B 908 23.429 58.429 33.154 1.00 0.00 N ATOM 19509 C4 C B 908 24.037 59.381 32.435 1.00 0.00 C ATOM 19510 N4 C B 908 24.165 59.197 31.130 1.00 0.00 N ATOM 19511 C5 C B 908 24.543 60.574 33.047 1.00 0.00 C ATOM 19512 C6 C B 908 24.376 60.694 34.388 1.00 0.00 C ATOM 19513 P A B 909 27.803 58.723 38.598 1.00 0.00 P ATOM 19514 O1P A B 909 28.600 58.748 39.845 1.00 0.00 O ATOM 19515 O2P A B 909 28.489 59.218 37.382 1.00 0.00 O ATOM 19516 O5* A B 909 27.249 57.243 38.341 1.00 0.00 O ATOM 19517 C5* A B 909 26.469 56.602 39.365 1.00 0.00 C ATOM 19518 C4* A B 909 25.947 55.270 38.865 1.00 0.00 C ATOM 19519 O4* A B 909 24.972 55.513 37.809 1.00 0.00 O ATOM 19520 C3* A B 909 26.983 54.358 38.204 1.00 0.00 C ATOM 19521 O3* A B 909 27.682 53.609 39.150 1.00 0.00 O ATOM 19522 C2* A B 909 26.112 53.492 37.296 1.00 0.00 C ATOM 19523 O2* A B 909 25.425 52.505 38.049 1.00 0.00 O ATOM 19524 C1* A B 909 25.067 54.497 36.825 1.00 0.00 C ATOM 19525 N9 A B 909 25.403 55.146 35.528 1.00 0.00 N ATOM 19526 C8 A B 909 25.844 56.426 35.287 1.00 0.00 C ATOM 19527 N7 A B 909 26.049 56.686 34.033 1.00 0.00 N ATOM 19528 C5 A B 909 25.724 55.502 33.387 1.00 0.00 C ATOM 19529 C6 A B 909 25.733 55.128 32.034 1.00 0.00 C ATOM 19530 N6 A B 909 26.097 55.951 31.040 1.00 0.00 N ATOM 19531 N1 A B 909 25.351 53.872 31.735 1.00 0.00 N ATOM 19532 C2 A B 909 24.988 53.059 32.727 1.00 0.00 C ATOM 19533 N3 A B 909 24.944 53.297 34.020 1.00 0.00 N ATOM 19534 C4 A B 909 25.330 54.559 34.291 1.00 0.00 C ATOM 19535 P A B 910 29.484 53.764 38.716 1.00 0.00 P ATOM 19536 O1P A B 910 30.252 52.610 39.239 1.00 0.00 O ATOM 19537 O2P A B 910 29.989 55.101 39.100 1.00 0.00 O ATOM 19538 O5* A B 910 29.318 53.668 36.883 1.00 0.00 O ATOM 19539 C5* A B 910 29.606 53.136 35.555 1.00 0.00 C ATOM 19540 C4* A B 910 30.444 54.054 34.480 1.00 0.00 C ATOM 19541 O4* A B 910 30.000 55.433 34.298 1.00 0.00 O ATOM 19542 C3* A B 910 31.969 54.159 34.483 1.00 0.00 C ATOM 19543 O3* A B 910 32.701 52.842 34.212 1.00 0.00 O ATOM 19544 C2* A B 910 32.212 55.264 33.453 1.00 0.00 C ATOM 19545 O2* A B 910 32.045 54.771 32.136 1.00 0.00 O ATOM 19546 C1* A B 910 31.040 56.203 33.726 1.00 0.00 C ATOM 19547 N9 A B 910 31.390 57.479 34.771 1.00 0.00 N ATOM 19548 C8 A B 910 30.869 57.727 36.021 1.00 0.00 C ATOM 19549 N7 A B 910 31.218 58.875 36.517 1.00 0.00 N ATOM 19550 C5 A B 910 32.029 59.429 35.536 1.00 0.00 C ATOM 19551 C6 A B 910 32.716 60.651 35.456 1.00 0.00 C ATOM 19552 N6 A B 910 32.701 61.577 36.425 1.00 0.00 N ATOM 19553 N1 A B 910 33.426 60.889 34.340 1.00 0.00 N ATOM 19554 C2 A B 910 33.440 59.966 33.376 1.00 0.00 C ATOM 19555 N3 A B 910 32.840 58.797 33.342 1.00 0.00 N ATOM 19556 C4 A B 910 32.135 58.583 34.469 1.00 0.00 C ATOM 19557 P A B 911 34.017 52.565 35.437 1.00 0.00 P ATOM 19558 O1P A B 911 34.757 51.301 35.220 1.00 0.00 O ATOM 19559 O2P A B 911 33.511 52.787 36.812 1.00 0.00 O ATOM 19560 O5* A B 911 34.914 53.978 34.729 1.00 0.00 O ATOM 19561 C5* A B 911 35.439 53.856 33.386 1.00 0.00 C ATOM 19562 C4* A B 911 35.086 55.033 32.307 1.00 0.00 C ATOM 19563 O4* A B 911 34.733 56.339 32.842 1.00 0.00 O ATOM 19564 C3* A B 911 36.092 55.350 31.195 1.00 0.00 C ATOM 19565 O3* A B 911 36.303 54.127 30.265 1.00 0.00 O ATOM 19566 C2* A B 911 35.537 56.658 30.630 1.00 0.00 C ATOM 19567 O2* A B 911 34.408 56.408 29.811 1.00 0.00 O ATOM 19568 C1* A B 911 35.027 57.345 31.886 1.00 0.00 C ATOM 19569 N9 A B 911 36.082 58.409 32.562 1.00 0.00 N ATOM 19570 C8 A B 911 36.590 58.411 33.842 1.00 0.00 C ATOM 19571 N7 A B 911 37.267 59.474 34.137 1.00 0.00 N ATOM 19572 C5 A B 911 37.206 60.242 32.979 1.00 0.00 C ATOM 19573 C6 A B 911 37.736 61.497 32.652 1.00 0.00 C ATOM 19574 N6 A B 911 38.464 62.243 33.502 1.00 0.00 N ATOM 19575 N1 A B 911 37.488 61.971 31.414 1.00 0.00 N ATOM 19576 C2 A B 911 36.771 61.225 30.573 1.00 0.00 C ATOM 19577 N3 A B 911 36.228 60.044 30.771 1.00 0.00 N ATOM 19578 C4 A B 911 36.489 59.596 32.017 1.00 0.00 C ATOM 19579 P C B 912 34.852 53.098 29.764 1.00 0.00 P ATOM 19580 O1P C B 912 34.876 52.945 28.293 1.00 0.00 O ATOM 19581 O2P C B 912 33.565 53.548 30.345 1.00 0.00 O ATOM 19582 O5* C B 912 35.468 51.548 30.526 1.00 0.00 O ATOM 19583 C5* C B 912 35.670 50.110 30.375 1.00 0.00 C ATOM 19584 C4* C B 912 36.675 49.628 29.156 1.00 0.00 C ATOM 19585 O4* C B 912 36.539 50.398 27.927 1.00 0.00 O ATOM 19586 C3* C B 912 38.178 49.630 29.428 1.00 0.00 C ATOM 19587 O3* C B 912 38.415 48.133 29.991 1.00 0.00 O ATOM 19588 C2* C B 912 38.763 49.556 28.022 1.00 0.00 C ATOM 19589 O2* C B 912 38.656 48.238 27.502 1.00 0.00 O ATOM 19590 C1* C B 912 37.781 50.419 27.236 1.00 0.00 C ATOM 19591 N1 C B 912 38.233 51.951 27.048 1.00 0.00 N ATOM 19592 C2 C B 912 39.475 52.189 26.467 1.00 0.00 C ATOM 19593 O2 C B 912 40.226 51.229 26.257 1.00 0.00 O ATOM 19594 N3 C B 912 39.817 53.464 26.155 1.00 0.00 N ATOM 19595 C4 C B 912 38.974 54.473 26.400 1.00 0.00 C ATOM 19596 N4 C B 912 39.353 55.700 26.077 1.00 0.00 N ATOM 19597 C5 C B 912 37.691 54.250 26.997 1.00 0.00 C ATOM 19598 C6 C B 912 37.368 52.971 27.302 1.00 0.00 C ATOM 19599 P U B 913 37.778 46.591 29.064 1.00 0.00 P ATOM 19600 O1P U B 913 36.703 45.942 29.846 1.00 0.00 O ATOM 19601 O2P U B 913 38.977 45.764 28.803 1.00 0.00 O ATOM 19602 O5* U B 913 36.985 47.101 27.421 1.00 0.00 O ATOM 19603 C5* U B 913 36.396 47.478 26.088 1.00 0.00 C ATOM 19604 C4* U B 913 37.188 48.275 24.866 1.00 0.00 C ATOM 19605 O4* U B 913 37.613 47.655 23.616 1.00 0.00 O ATOM 19606 C3* U B 913 37.397 49.771 24.622 1.00 0.00 C ATOM 19607 O3* U B 913 36.221 50.721 24.094 1.00 0.00 O ATOM 19608 C2* U B 913 38.662 49.779 23.764 1.00 0.00 C ATOM 19609 O2* U B 913 39.811 49.547 24.561 1.00 0.00 O ATOM 19610 C1* U B 913 38.457 48.537 22.903 1.00 0.00 C ATOM 19611 N1 U B 913 37.745 48.842 21.357 1.00 0.00 N ATOM 19612 C2 U B 913 38.603 48.962 20.286 1.00 0.00 C ATOM 19613 O2 U B 913 39.797 48.730 20.367 1.00 0.00 O ATOM 19614 N3 U B 913 38.019 49.365 19.102 1.00 0.00 N ATOM 19615 C4 U B 913 36.686 49.656 18.898 1.00 0.00 C ATOM 19616 O4 U B 913 36.281 50.013 17.786 1.00 0.00 O ATOM 19617 C5 U B 913 35.864 49.502 20.077 1.00 0.00 C ATOM 19618 C6 U B 913 36.403 49.111 21.241 1.00 0.00 C ATOM 19619 P G B 914 35.063 51.597 25.193 1.00 0.00 P ATOM 19620 O1P G B 914 35.390 53.041 25.248 1.00 0.00 O ATOM 19621 O2P G B 914 34.884 50.930 26.501 1.00 0.00 O ATOM 19622 O5* G B 914 33.582 51.251 24.184 1.00 0.00 O ATOM 19623 C5* G B 914 32.293 50.941 24.779 1.00 0.00 C ATOM 19624 C4* G B 914 31.819 49.380 24.554 1.00 0.00 C ATOM 19625 O4* G B 914 32.729 48.257 24.718 1.00 0.00 O ATOM 19626 C3* G B 914 30.834 48.899 23.483 1.00 0.00 C ATOM 19627 O3* G B 914 30.247 49.945 22.505 1.00 0.00 O ATOM 19628 C2* G B 914 31.738 48.070 22.571 1.00 0.00 C ATOM 19629 O2* G B 914 32.525 48.914 21.746 1.00 0.00 O ATOM 19630 C1* G B 914 32.679 47.420 23.572 1.00 0.00 C ATOM 19631 N9 G B 914 32.208 45.820 24.081 1.00 0.00 N ATOM 19632 C8 G B 914 32.933 44.887 24.779 1.00 0.00 C ATOM 19633 N7 G B 914 32.354 43.716 24.874 1.00 0.00 N ATOM 19634 C5 G B 914 31.156 43.885 24.182 1.00 0.00 C ATOM 19635 C6 G B 914 30.105 42.965 23.936 1.00 0.00 C ATOM 19636 O6 G B 914 30.010 41.791 24.287 1.00 0.00 O ATOM 19637 N1 G B 914 29.070 43.552 23.193 1.00 0.00 N ATOM 19638 C2 G B 914 29.062 44.858 22.743 1.00 0.00 C ATOM 19639 N2 G B 914 27.978 45.229 22.046 1.00 0.00 N ATOM 19640 N3 G B 914 30.045 45.721 22.971 1.00 0.00 N ATOM 19641 C4 G B 914 31.056 45.165 23.691 1.00 0.00 C ATOM 19642 P C B 915 28.814 49.384 21.513 1.00 0.00 P ATOM 19643 O1P C B 915 27.718 49.573 22.492 1.00 0.00 O ATOM 19644 O2P C B 915 28.773 48.128 20.736 1.00 0.00 O ATOM 19645 O5* C B 915 28.870 50.637 20.520 1.00 0.00 O ATOM 19646 C5* C B 915 27.951 50.694 19.414 1.00 0.00 C ATOM 19647 C4* C B 915 28.098 52.018 18.687 1.00 0.00 C ATOM 19648 O4* C B 915 27.631 53.087 19.558 1.00 0.00 O ATOM 19649 C3* C B 915 29.527 52.429 18.334 1.00 0.00 C ATOM 19650 O3* C B 915 29.946 51.846 17.139 1.00 0.00 O ATOM 19651 C2* C B 915 29.405 53.949 18.236 1.00 0.00 C ATOM 19652 O2* C B 915 28.782 54.327 17.021 1.00 0.00 O ATOM 19653 C1* C B 915 28.416 54.250 19.356 1.00 0.00 C ATOM 19654 N1 C B 915 29.065 54.598 20.651 1.00 0.00 N ATOM 19655 C2 C B 915 29.650 55.856 20.765 1.00 0.00 C ATOM 19656 O2 C B 915 29.611 56.623 19.798 1.00 0.00 O ATOM 19657 N3 C B 915 30.248 56.193 21.939 1.00 0.00 N ATOM 19658 C4 C B 915 30.271 55.329 22.965 1.00 0.00 C ATOM 19659 N4 C B 915 30.864 55.706 24.086 1.00 0.00 N ATOM 19660 C5 C B 915 29.671 54.031 22.867 1.00 0.00 C ATOM 19661 C6 C B 915 29.082 53.716 21.688 1.00 0.00 C ATOM 19662 P G B 916 29.736 49.896 16.991 1.00 0.00 P ATOM 19663 O1P G B 916 28.520 49.657 16.176 1.00 0.00 O ATOM 19664 O2P G B 916 29.662 49.456 18.404 1.00 0.00 O ATOM 19665 O5* G B 916 31.079 48.634 16.415 1.00 0.00 O ATOM 19666 C5* G B 916 31.496 47.145 16.694 1.00 0.00 C ATOM 19667 C4* G B 916 30.832 46.375 18.037 1.00 0.00 C ATOM 19668 O4* G B 916 29.424 46.752 18.055 1.00 0.00 O ATOM 19669 C3* G B 916 30.962 45.388 19.198 1.00 0.00 C ATOM 19670 O3* G B 916 32.147 45.265 20.459 1.00 0.00 O ATOM 19671 C2* G B 916 29.998 45.975 20.224 1.00 0.00 C ATOM 19672 O2* G B 916 30.565 47.106 20.862 1.00 0.00 O ATOM 19673 C1* G B 916 28.870 46.484 19.331 1.00 0.00 C ATOM 19674 N9 G B 916 27.554 45.386 19.134 1.00 0.00 N ATOM 19675 C8 G B 916 27.408 44.362 18.225 1.00 0.00 C ATOM 19676 N7 G B 916 26.220 43.794 18.246 1.00 0.00 N ATOM 19677 C5 G B 916 25.531 44.503 19.233 1.00 0.00 C ATOM 19678 C6 G B 916 24.204 44.351 19.705 1.00 0.00 C ATOM 19679 O6 G B 916 23.345 43.552 19.345 1.00 0.00 O ATOM 19680 N1 G B 916 23.917 45.277 20.716 1.00 0.00 N ATOM 19681 C2 G B 916 24.794 46.223 21.210 1.00 0.00 C ATOM 19682 N2 G B 916 24.325 47.014 22.174 1.00 0.00 N ATOM 19683 N3 G B 916 26.041 46.366 20.765 1.00 0.00 N ATOM 19684 C4 G B 916 26.338 45.476 19.780 1.00 0.00 C ATOM 19685 P A B 917 33.803 46.010 21.100 1.00 0.00 P ATOM 19686 O1P A B 917 34.561 44.835 20.612 1.00 0.00 O ATOM 19687 O2P A B 917 34.257 46.578 22.389 1.00 0.00 O ATOM 19688 O5* A B 917 33.793 47.151 19.978 1.00 0.00 O ATOM 19689 C5* A B 917 32.838 47.066 18.906 1.00 0.00 C ATOM 19690 C4* A B 917 32.923 48.303 18.037 1.00 0.00 C ATOM 19691 O4* A B 917 32.454 49.449 18.803 1.00 0.00 O ATOM 19692 C3* A B 917 34.326 48.708 17.587 1.00 0.00 C ATOM 19693 O3* A B 917 34.721 48.010 16.448 1.00 0.00 O ATOM 19694 C2* A B 917 34.162 50.206 17.335 1.00 0.00 C ATOM 19695 O2* A B 917 33.489 50.438 16.109 1.00 0.00 O ATOM 19696 C1* A B 917 33.202 50.603 18.450 1.00 0.00 C ATOM 19697 N9 A B 917 33.883 51.102 19.675 1.00 0.00 N ATOM 19698 C8 A B 917 34.058 50.476 20.889 1.00 0.00 C ATOM 19699 N7 A B 917 34.701 51.185 21.763 1.00 0.00 N ATOM 19700 C5 A B 917 34.983 52.367 21.094 1.00 0.00 C ATOM 19701 C6 A B 917 35.651 53.539 21.478 1.00 0.00 C ATOM 19702 N6 A B 917 36.186 53.722 22.693 1.00 0.00 N ATOM 19703 N1 A B 917 35.752 54.525 20.567 1.00 0.00 N ATOM 19704 C2 A B 917 35.219 54.343 19.362 1.00 0.00 C ATOM 19705 N3 A B 917 34.575 53.295 18.888 1.00 0.00 N ATOM 19706 C4 A B 917 34.489 52.324 19.821 1.00 0.00 C ATOM 19707 P A B 918 34.987 46.109 16.554 1.00 0.00 P ATOM 19708 O1P A B 918 36.371 45.877 17.027 1.00 0.00 O ATOM 19709 O2P A B 918 34.672 45.600 15.202 1.00 0.00 O ATOM 19710 O5* A B 918 33.969 45.147 17.824 1.00 0.00 O ATOM 19711 C5* A B 918 34.220 43.946 18.710 1.00 0.00 C ATOM 19712 C4* A B 918 34.308 42.355 18.136 1.00 0.00 C ATOM 19713 O4* A B 918 33.061 42.216 17.396 1.00 0.00 O ATOM 19714 C3* A B 918 35.395 42.154 17.074 1.00 0.00 C ATOM 19715 O3* A B 918 36.642 41.716 17.991 1.00 0.00 O ATOM 19716 C2* A B 918 34.764 41.092 16.175 1.00 0.00 C ATOM 19717 O2* A B 918 34.838 39.812 16.783 1.00 0.00 O ATOM 19718 C1* A B 918 33.296 41.506 16.190 1.00 0.00 C ATOM 19719 N9 A B 918 32.830 42.482 14.904 1.00 0.00 N ATOM 19720 C8 A B 918 32.213 43.712 14.944 1.00 0.00 C ATOM 19721 N7 A B 918 31.797 44.134 13.788 1.00 0.00 N ATOM 19722 C5 A B 918 32.153 43.120 12.913 1.00 0.00 C ATOM 19723 C6 A B 918 31.992 42.961 11.524 1.00 0.00 C ATOM 19724 N6 A B 918 31.392 43.869 10.748 1.00 0.00 N ATOM 19725 N1 A B 918 32.464 41.830 10.971 1.00 0.00 N ATOM 19726 C2 A B 918 33.058 40.932 11.754 1.00 0.00 C ATOM 19727 N3 A B 918 33.270 40.970 13.054 1.00 0.00 N ATOM 19728 C4 A B 918 32.785 42.112 13.585 1.00 0.00 C ATOM 19729 P U B 919 38.229 40.879 17.597 1.00 0.00 P ATOM 19730 O1P U B 919 38.137 39.687 16.723 1.00 0.00 O ATOM 19731 O2P U B 919 39.109 40.745 18.777 1.00 0.00 O ATOM 19732 O5* U B 919 38.671 42.152 16.732 1.00 0.00 O ATOM 19733 C5* U B 919 38.183 42.284 15.386 1.00 0.00 C ATOM 19734 C4* U B 919 38.621 43.613 14.802 1.00 0.00 C ATOM 19735 O4* U B 919 37.934 44.687 15.511 1.00 0.00 O ATOM 19736 C3* U B 919 40.102 43.955 14.967 1.00 0.00 C ATOM 19737 O3* U B 919 40.872 43.377 13.958 1.00 0.00 O ATOM 19738 C2* U B 919 40.089 45.479 14.896 1.00 0.00 C ATOM 19739 O2* U B 919 39.927 45.921 13.557 1.00 0.00 O ATOM 19740 C1* U B 919 38.795 45.810 15.630 1.00 0.00 C ATOM 19741 N1 U B 919 38.984 46.091 17.081 1.00 0.00 N ATOM 19742 C2 U B 919 39.545 47.297 17.417 1.00 0.00 C ATOM 19743 O2 U B 919 39.886 48.124 16.586 1.00 0.00 O ATOM 19744 N3 U B 919 39.706 47.523 18.768 1.00 0.00 N ATOM 19745 C4 U B 919 39.360 46.662 19.789 1.00 0.00 C ATOM 19746 O4 U B 919 39.551 46.974 20.965 1.00 0.00 O ATOM 19747 C5 U B 919 38.777 45.420 19.341 1.00 0.00 C ATOM 19748 C6 U B 919 38.611 45.175 18.029 1.00 0.00 C ATOM 19749 P A B 920 40.170 42.091 12.800 1.00 0.00 P ATOM 19750 O1P A B 920 41.268 41.801 11.851 1.00 0.00 O ATOM 19751 O2P A B 920 38.904 42.560 12.195 1.00 0.00 O ATOM 19752 O5* A B 920 39.858 40.578 13.847 1.00 0.00 O ATOM 19753 C5* A B 920 39.646 39.141 14.261 1.00 0.00 C ATOM 19754 C4* A B 920 39.228 37.998 13.090 1.00 0.00 C ATOM 19755 O4* A B 920 38.777 38.803 11.967 1.00 0.00 O ATOM 19756 C3* A B 920 40.214 37.007 12.462 1.00 0.00 C ATOM 19757 O3* A B 920 40.453 35.549 13.046 1.00 0.00 O ATOM 19758 C2* A B 920 39.571 36.738 11.106 1.00 0.00 C ATOM 19759 O2* A B 920 38.466 35.856 11.238 1.00 0.00 O ATOM 19760 C1* A B 920 39.007 38.105 10.753 1.00 0.00 C ATOM 19761 N9 A B 920 40.019 39.058 9.772 1.00 0.00 N ATOM 19762 C8 A B 920 40.963 39.978 10.160 1.00 0.00 C ATOM 19763 N7 A B 920 41.453 40.679 9.182 1.00 0.00 N ATOM 19764 C5 A B 920 40.794 40.193 8.062 1.00 0.00 C ATOM 19765 C6 A B 920 40.867 40.526 6.700 1.00 0.00 C ATOM 19766 N6 A B 920 41.682 41.477 6.216 1.00 0.00 N ATOM 19767 N1 A B 920 40.074 39.848 5.853 1.00 0.00 N ATOM 19768 C2 A B 920 39.265 38.911 6.345 1.00 0.00 C ATOM 19769 N3 A B 920 39.113 38.511 7.585 1.00 0.00 N ATOM 19770 C4 A B 920 39.919 39.205 8.414 1.00 0.00 C ATOM 19771 P C B 921 42.176 34.929 13.201 1.00 0.00 P ATOM 19772 O1P C B 921 42.810 33.746 12.578 1.00 0.00 O ATOM 19773 O2P C B 921 42.279 35.017 14.674 1.00 0.00 O ATOM 19774 O5* C B 921 42.757 36.266 12.534 1.00 0.00 O ATOM 19775 C5* C B 921 42.500 36.522 11.142 1.00 0.00 C ATOM 19776 C4* C B 921 43.030 37.889 10.760 1.00 0.00 C ATOM 19777 O4* C B 921 42.236 38.908 11.435 1.00 0.00 O ATOM 19778 C3* C B 921 44.465 38.190 11.194 1.00 0.00 C ATOM 19779 O3* C B 921 45.391 37.693 10.282 1.00 0.00 O ATOM 19780 C2* C B 921 44.464 39.717 11.258 1.00 0.00 C ATOM 19781 O2* C B 921 44.527 40.275 9.956 1.00 0.00 O ATOM 19782 C1* C B 921 43.066 40.003 11.793 1.00 0.00 C ATOM 19783 N1 C B 921 43.012 40.153 13.275 1.00 0.00 N ATOM 19784 C2 C B 921 43.516 41.329 13.826 1.00 0.00 C ATOM 19785 O2 C B 921 43.979 42.188 13.072 1.00 0.00 O ATOM 19786 N3 C B 921 43.475 41.485 15.175 1.00 0.00 N ATOM 19787 C4 C B 921 42.963 40.529 15.958 1.00 0.00 C ATOM 19788 N4 C B 921 42.947 40.730 17.267 1.00 0.00 N ATOM 19789 C5 C B 921 42.441 39.313 15.411 1.00 0.00 C ATOM 19790 C6 C B 921 42.491 39.174 14.062 1.00 0.00 C ATOM 19791 P C B 922 46.826 37.149 10.839 1.00 0.00 P ATOM 19792 O1P C B 922 47.504 36.340 9.803 1.00 0.00 O ATOM 19793 O2P C B 922 46.626 36.484 12.145 1.00 0.00 O ATOM 19794 O5* C B 922 47.611 38.528 11.043 1.00 0.00 O ATOM 19795 C5* C B 922 47.832 39.382 9.908 1.00 0.00 C ATOM 19796 C4* C B 922 48.475 40.680 10.350 1.00 0.00 C ATOM 19797 O4* C B 922 47.515 41.435 11.143 1.00 0.00 O ATOM 19798 C3* C B 922 49.689 40.543 11.273 1.00 0.00 C ATOM 19799 O3* C B 922 50.860 40.331 10.549 1.00 0.00 O ATOM 19800 C2* C B 922 49.685 41.880 12.007 1.00 0.00 C ATOM 19801 O2* C B 922 50.186 42.914 11.175 1.00 0.00 O ATOM 19802 C1* C B 922 48.192 42.132 12.179 1.00 0.00 C ATOM 19803 N1 C B 922 47.648 41.656 13.482 1.00 0.00 N ATOM 19804 C2 C B 922 47.953 42.398 14.622 1.00 0.00 C ATOM 19805 O2 C B 922 48.653 43.411 14.505 1.00 0.00 O ATOM 19806 N3 C B 922 47.471 41.981 15.819 1.00 0.00 N ATOM 19807 C4 C B 922 46.712 40.877 15.905 1.00 0.00 C ATOM 19808 N4 C B 922 46.267 40.513 17.096 1.00 0.00 N ATOM 19809 C5 C B 922 46.391 40.100 14.746 1.00 0.00 C ATOM 19810 C6 C B 922 46.883 40.534 13.557 1.00 0.00 C ATOM 19811 P G B 923 52.021 39.383 11.196 1.00 0.00 P ATOM 19812 O1P G B 923 52.996 38.986 10.157 1.00 0.00 O ATOM 19813 O2P G B 923 51.393 38.275 11.948 1.00 0.00 O ATOM 19814 O5* G B 923 52.710 40.409 12.216 1.00 0.00 O ATOM 19815 C5* G B 923 53.308 41.611 11.704 1.00 0.00 C ATOM 19816 C4* G B 923 53.782 42.485 12.844 1.00 0.00 C ATOM 19817 O4* G B 923 52.620 42.979 13.574 1.00 0.00 O ATOM 19818 C3* G B 923 54.618 41.782 13.918 1.00 0.00 C ATOM 19819 O3* G B 923 55.960 41.711 13.555 1.00 0.00 O ATOM 19820 C2* G B 923 54.384 42.673 15.137 1.00 0.00 C ATOM 19821 O2* G B 923 55.142 43.867 15.042 1.00 0.00 O ATOM 19822 C1* G B 923 52.919 43.063 14.957 1.00 0.00 C ATOM 19823 N9 G B 923 51.970 42.178 15.687 1.00 0.00 N ATOM 19824 C8 G B 923 51.129 41.207 15.191 1.00 0.00 C ATOM 19825 N7 G B 923 50.413 40.600 16.110 1.00 0.00 N ATOM 19826 C5 G B 923 50.811 41.214 17.298 1.00 0.00 C ATOM 19827 C6 G B 923 50.385 40.985 18.631 1.00 0.00 C ATOM 19828 O6 G B 923 49.558 40.178 19.048 1.00 0.00 O ATOM 19829 N1 G B 923 51.046 41.829 19.531 1.00 0.00 N ATOM 19830 C2 G B 923 51.992 42.778 19.189 1.00 0.00 C ATOM 19831 N2 G B 923 52.506 43.484 20.197 1.00 0.00 N ATOM 19832 N3 G B 923 52.390 42.991 17.939 1.00 0.00 N ATOM 19833 C4 G B 923 51.759 42.178 17.051 1.00 0.00 C ATOM 19834 P G B 924 56.830 40.408 14.020 1.00 0.00 P ATOM 19835 O1P G B 924 58.090 40.334 13.248 1.00 0.00 O ATOM 19836 O2P G B 924 55.972 39.202 13.972 1.00 0.00 O ATOM 19837 O5* G B 924 57.150 40.790 15.541 1.00 0.00 O ATOM 19838 C5* G B 924 57.899 41.987 15.821 1.00 0.00 C ATOM 19839 C4* G B 924 57.975 42.214 17.316 1.00 0.00 C ATOM 19840 O4* G B 924 56.644 42.538 17.812 1.00 0.00 O ATOM 19841 C3* G B 924 58.397 41.005 18.154 1.00 0.00 C ATOM 19842 O3* G B 924 59.782 40.880 18.206 1.00 0.00 O ATOM 19843 C2* G B 924 57.780 41.329 19.513 1.00 0.00 C ATOM 19844 O2* G B 924 58.541 42.316 20.188 1.00 0.00 O ATOM 19845 C1* G B 924 56.465 41.987 19.107 1.00 0.00 C ATOM 19846 N9 G B 924 55.318 41.038 19.051 1.00 0.00 N ATOM 19847 C8 G B 924 54.678 40.511 17.952 1.00 0.00 C ATOM 19848 N7 G B 924 53.691 39.699 18.246 1.00 0.00 N ATOM 19849 C5 G B 924 53.675 39.687 19.639 1.00 0.00 C ATOM 19850 C6 G B 924 52.828 38.991 20.539 1.00 0.00 C ATOM 19851 O6 G B 924 51.901 38.226 20.287 1.00 0.00 O ATOM 19852 N1 G B 924 53.163 39.266 21.873 1.00 0.00 N ATOM 19853 C2 G B 924 54.179 40.105 22.283 1.00 0.00 C ATOM 19854 N2 G B 924 54.335 40.235 23.602 1.00 0.00 N ATOM 19855 N3 G B 924 54.974 40.758 21.440 1.00 0.00 N ATOM 19856 C4 G B 924 54.665 40.502 20.139 1.00 0.00 C ATOM 19857 P A B 925 60.433 39.384 18.270 1.00 0.00 P ATOM 19858 O1P A B 925 61.879 39.441 17.955 1.00 0.00 O ATOM 19859 O2P A B 925 59.627 38.460 17.443 1.00 0.00 O ATOM 19860 O5* A B 925 60.233 39.037 19.820 1.00 0.00 O ATOM 19861 C5* A B 925 60.860 39.872 20.811 1.00 0.00 C ATOM 19862 C4* A B 925 60.438 39.438 22.199 1.00 0.00 C ATOM 19863 O4* A B 925 59.021 39.729 22.374 1.00 0.00 O ATOM 19864 C3* A B 925 60.543 37.940 22.491 1.00 0.00 C ATOM 19865 O3* A B 925 61.830 37.586 22.885 1.00 0.00 O ATOM 19866 C2* A B 925 59.514 37.758 23.605 1.00 0.00 C ATOM 19867 O2* A B 925 60.019 38.235 24.839 1.00 0.00 O ATOM 19868 C1* A B 925 58.416 38.724 23.169 1.00 0.00 C ATOM 19869 N9 A B 925 57.340 38.083 22.361 1.00 0.00 N ATOM 19870 C8 A B 925 57.102 38.173 21.008 1.00 0.00 C ATOM 19871 N7 A B 925 56.074 37.489 20.610 1.00 0.00 N ATOM 19872 C5 A B 925 55.593 36.895 21.769 1.00 0.00 C ATOM 19873 C6 A B 925 54.509 36.038 22.015 1.00 0.00 C ATOM 19874 N6 A B 925 53.676 35.606 21.058 1.00 0.00 N ATOM 19875 N1 A B 925 54.314 35.638 23.285 1.00 0.00 N ATOM 19876 C2 A B 925 55.144 36.069 24.230 1.00 0.00 C ATOM 19877 N3 A B 925 56.184 36.868 24.119 1.00 0.00 N ATOM 19878 C4 A B 925 56.361 37.253 22.840 1.00 0.00 C ATOM 19879 P G B 926 62.405 36.117 22.463 1.00 0.00 P ATOM 19880 O1P G B 926 63.873 36.072 22.641 1.00 0.00 O ATOM 19881 O2P G B 926 61.910 35.767 21.111 1.00 0.00 O ATOM 19882 O5* G B 926 61.696 35.191 23.557 1.00 0.00 O ATOM 19883 C5* G B 926 61.969 35.424 24.952 1.00 0.00 C ATOM 19884 C4* G B 926 61.104 34.522 25.808 1.00 0.00 C ATOM 19885 O4* G B 926 59.712 34.934 25.669 1.00 0.00 O ATOM 19886 C3* G B 926 61.089 33.045 25.413 1.00 0.00 C ATOM 19887 O3* G B 926 62.166 32.358 25.966 1.00 0.00 O ATOM 19888 C2* G B 926 59.748 32.579 25.972 1.00 0.00 C ATOM 19889 O2* G B 926 59.818 32.408 27.379 1.00 0.00 O ATOM 19890 C1* G B 926 58.866 33.796 25.712 1.00 0.00 C ATOM 19891 N9 G B 926 58.113 33.731 24.431 1.00 0.00 N ATOM 19892 C8 G B 926 58.335 34.416 23.255 1.00 0.00 C ATOM 19893 N7 G B 926 57.482 34.127 22.301 1.00 0.00 N ATOM 19894 C5 G B 926 56.636 33.186 22.886 1.00 0.00 C ATOM 19895 C6 G B 926 55.518 32.504 22.344 1.00 0.00 C ATOM 19896 O6 G B 926 55.034 32.589 21.220 1.00 0.00 O ATOM 19897 N1 G B 926 54.946 31.633 23.285 1.00 0.00 N ATOM 19898 C2 G B 926 55.397 31.449 24.575 1.00 0.00 C ATOM 19899 N2 G B 926 54.712 30.573 25.316 1.00 0.00 N ATOM 19900 N3 G B 926 56.447 32.089 25.084 1.00 0.00 N ATOM 19901 C4 G B 926 57.015 32.936 24.186 1.00 0.00 C ATOM 19902 P A B 927 62.489 33.079 27.826 1.00 0.00 P ATOM 19903 O1P A B 927 63.500 32.322 28.592 1.00 0.00 O ATOM 19904 O2P A B 927 61.462 33.781 28.630 1.00 0.00 O ATOM 19905 O5* A B 927 63.358 34.104 26.571 1.00 0.00 O ATOM 19906 C5* A B 927 63.653 33.721 25.098 1.00 0.00 C ATOM 19907 C4* A B 927 62.982 32.407 24.157 1.00 0.00 C ATOM 19908 O4* A B 927 62.364 32.941 22.950 1.00 0.00 O ATOM 19909 C3* A B 927 63.862 31.267 23.651 1.00 0.00 C ATOM 19910 O3* A B 927 64.158 30.102 24.617 1.00 0.00 O ATOM 19911 C2* A B 927 63.021 30.700 22.507 1.00 0.00 C ATOM 19912 O2* A B 927 61.947 29.917 23.010 1.00 0.00 O ATOM 19913 C1* A B 927 62.411 31.964 21.919 1.00 0.00 C ATOM 19914 N9 A B 927 63.247 32.602 20.634 1.00 0.00 N ATOM 19915 C8 A B 927 62.749 33.152 19.476 1.00 0.00 C ATOM 19916 N7 A B 927 63.660 33.469 18.607 1.00 0.00 N ATOM 19917 C5 A B 927 64.851 33.111 19.229 1.00 0.00 C ATOM 19918 C6 A B 927 66.190 33.196 18.824 1.00 0.00 C ATOM 19919 N6 A B 927 66.575 33.691 17.639 1.00 0.00 N ATOM 19920 N1 A B 927 67.126 32.749 19.678 1.00 0.00 N ATOM 19921 C2 A B 927 66.738 32.252 20.852 1.00 0.00 C ATOM 19922 N3 A B 927 65.522 32.125 21.340 1.00 0.00 N ATOM 19923 C4 A B 927 64.604 32.581 20.462 1.00 0.00 C ATOM 19924 P A B 928 64.225 30.617 26.356 1.00 0.00 P ATOM 19925 O1P A B 928 63.963 32.065 26.518 1.00 0.00 O ATOM 19926 O2P A B 928 65.467 30.114 26.983 1.00 0.00 O ATOM 19927 O5* A B 928 62.971 29.778 26.887 1.00 0.00 O ATOM 19928 C5* A B 928 62.623 29.844 28.280 1.00 0.00 C ATOM 19929 C4* A B 928 61.339 29.078 28.533 1.00 0.00 C ATOM 19930 O4* A B 928 60.238 29.780 27.886 1.00 0.00 O ATOM 19931 C3* A B 928 61.274 27.671 27.943 1.00 0.00 C ATOM 19932 O3* A B 928 61.875 26.735 28.785 1.00 0.00 O ATOM 19933 C2* A B 928 59.772 27.451 27.797 1.00 0.00 C ATOM 19934 O2* A B 928 59.180 27.168 29.054 1.00 0.00 O ATOM 19935 C1* A B 928 59.299 28.841 27.386 1.00 0.00 C ATOM 19936 N9 A B 928 59.198 29.029 25.912 1.00 0.00 N ATOM 19937 C8 A B 928 60.025 29.741 25.071 1.00 0.00 C ATOM 19938 N7 A B 928 59.663 29.710 23.826 1.00 0.00 N ATOM 19939 C5 A B 928 58.517 28.927 23.830 1.00 0.00 C ATOM 19940 C6 A B 928 57.649 28.513 22.809 1.00 0.00 C ATOM 19941 N6 A B 928 57.810 28.847 21.519 1.00 0.00 N ATOM 19942 N1 A B 928 56.604 27.740 23.156 1.00 0.00 N ATOM 19943 C2 A B 928 56.449 27.411 24.439 1.00 0.00 C ATOM 19944 N3 A B 928 57.190 27.738 25.476 1.00 0.00 N ATOM 19945 C4 A B 928 58.230 28.510 25.098 1.00 0.00 C ATOM 19946 P U B 929 62.656 25.465 28.119 1.00 0.00 P ATOM 19947 O1P U B 929 63.518 24.809 29.126 1.00 0.00 O ATOM 19948 O2P U B 929 63.330 25.897 26.875 1.00 0.00 O ATOM 19949 O5* U B 929 61.421 24.513 27.759 1.00 0.00 O ATOM 19950 C5* U B 929 60.568 24.044 28.822 1.00 0.00 C ATOM 19951 C4* U B 929 59.400 23.268 28.245 1.00 0.00 C ATOM 19952 O4* U B 929 58.539 24.184 27.512 1.00 0.00 O ATOM 19953 C3* U B 929 59.760 22.195 27.216 1.00 0.00 C ATOM 19954 O3* U B 929 60.118 20.995 27.829 1.00 0.00 O ATOM 19955 C2* U B 929 58.466 22.078 26.413 1.00 0.00 C ATOM 19956 O2* U B 929 57.489 21.346 27.132 1.00 0.00 O ATOM 19957 C1* U B 929 57.995 23.530 26.376 1.00 0.00 C ATOM 19958 N1 U B 929 58.432 24.271 25.162 1.00 0.00 N ATOM 19959 C2 U B 929 57.790 23.975 23.984 1.00 0.00 C ATOM 19960 O2 U B 929 56.898 23.150 23.904 1.00 0.00 O ATOM 19961 N3 U B 929 58.223 24.682 22.880 1.00 0.00 N ATOM 19962 C4 U B 929 59.220 25.638 22.857 1.00 0.00 C ATOM 19963 O4 U B 929 59.521 26.206 21.805 1.00 0.00 O ATOM 19964 C5 U B 929 59.835 25.877 24.140 1.00 0.00 C ATOM 19965 C6 U B 929 59.434 25.203 25.230 1.00 0.00 C ATOM 19966 P G B 930 61.259 20.062 27.123 1.00 0.00 P ATOM 19967 O1P G B 930 61.758 19.054 28.079 1.00 0.00 O ATOM 19968 O2P G B 930 62.285 20.928 26.500 1.00 0.00 O ATOM 19969 O5* G B 930 60.393 19.346 25.984 1.00 0.00 O ATOM 19970 C5* G B 930 59.276 18.524 26.371 1.00 0.00 C ATOM 19971 C4* G B 930 58.529 18.051 25.140 1.00 0.00 C ATOM 19972 O4* G B 930 57.891 19.197 24.504 1.00 0.00 O ATOM 19973 C3* G B 930 59.390 17.448 24.029 1.00 0.00 C ATOM 19974 O3* G B 930 59.654 16.101 24.260 1.00 0.00 O ATOM 19975 C2* G B 930 58.523 17.678 22.793 1.00 0.00 C ATOM 19976 O2* G B 930 57.461 16.743 22.746 1.00 0.00 O ATOM 19977 C1* G B 930 57.906 19.037 23.096 1.00 0.00 C ATOM 19978 N9 G B 930 58.665 20.181 22.511 1.00 0.00 N ATOM 19979 C8 G B 930 59.476 21.099 23.142 1.00 0.00 C ATOM 19980 N7 G B 930 60.002 21.990 22.335 1.00 0.00 N ATOM 19981 C5 G B 930 59.501 21.637 21.082 1.00 0.00 C ATOM 19982 C6 G B 930 59.716 22.230 19.812 1.00 0.00 C ATOM 19983 O6 G B 930 60.403 23.206 19.526 1.00 0.00 O ATOM 19984 N1 G B 930 59.016 21.553 18.803 1.00 0.00 N ATOM 19985 C2 G B 930 58.214 20.443 18.999 1.00 0.00 C ATOM 19986 N2 G B 930 57.633 19.941 17.906 1.00 0.00 N ATOM 19987 N3 G B 930 58.014 19.886 20.190 1.00 0.00 N ATOM 19988 C4 G B 930 58.685 20.534 21.180 1.00 0.00 C ATOM 19989 P U B 931 61.286 16.394 25.158 1.00 0.00 P ATOM 19990 O1P U B 931 62.227 15.373 24.661 1.00 0.00 O ATOM 19991 O2P U B 931 61.063 16.406 26.623 1.00 0.00 O ATOM 19992 O5* U B 931 61.990 18.060 24.647 1.00 0.00 O ATOM 19993 C5* U B 931 63.352 18.546 25.045 1.00 0.00 C ATOM 19994 C4* U B 931 63.891 20.091 24.838 1.00 0.00 C ATOM 19995 O4* U B 931 63.762 20.832 23.589 1.00 0.00 O ATOM 19996 C3* U B 931 64.661 21.048 25.753 1.00 0.00 C ATOM 19997 O3* U B 931 64.850 20.908 27.257 1.00 0.00 O ATOM 19998 C2* U B 931 65.613 21.729 24.777 1.00 0.00 C ATOM 19999 O2* U B 931 66.688 20.872 24.442 1.00 0.00 O ATOM 20000 C1* U B 931 64.743 21.854 23.531 1.00 0.00 C ATOM 20001 N1 U B 931 63.954 23.341 23.370 1.00 0.00 N ATOM 20002 C2 U B 931 64.258 24.093 22.265 1.00 0.00 C ATOM 20003 O2 U B 931 65.021 23.710 21.394 1.00 0.00 O ATOM 20004 N3 U B 931 63.639 25.322 22.193 1.00 0.00 N ATOM 20005 C4 U B 931 62.766 25.855 23.115 1.00 0.00 C ATOM 20006 O4 U B 931 62.272 26.972 22.947 1.00 0.00 O ATOM 20007 C5 U B 931 62.507 24.997 24.247 1.00 0.00 C ATOM 20008 C6 U B 931 63.094 23.793 24.340 1.00 0.00 C ATOM 20009 P U B 932 66.559 21.318 27.686 1.00 0.00 P ATOM 20010 O1P U B 932 66.968 21.179 29.097 1.00 0.00 O ATOM 20011 O2P U B 932 66.901 22.605 27.033 1.00 0.00 O ATOM 20012 O5* U B 932 66.930 19.824 26.721 1.00 0.00 O ATOM 20013 C5* U B 932 67.102 18.509 26.088 1.00 0.00 C ATOM 20014 C4* U B 932 68.726 18.116 26.210 1.00 0.00 C ATOM 20015 O4* U B 932 69.418 19.265 25.645 1.00 0.00 O ATOM 20016 C3* U B 932 69.196 18.080 27.666 1.00 0.00 C ATOM 20017 O3* U B 932 68.338 17.769 28.879 1.00 0.00 O ATOM 20018 C2* U B 932 70.651 18.532 27.540 1.00 0.00 C ATOM 20019 O2* U B 932 71.464 17.486 27.042 1.00 0.00 O ATOM 20020 C1* U B 932 70.554 19.581 26.435 1.00 0.00 C ATOM 20021 N1 U B 932 70.391 21.166 26.984 1.00 0.00 N ATOM 20022 C2 U B 932 70.498 21.370 28.344 1.00 0.00 C ATOM 20023 O2 U B 932 70.836 20.495 29.119 1.00 0.00 O ATOM 20024 N3 U B 932 70.195 22.648 28.776 1.00 0.00 N ATOM 20025 C4 U B 932 69.806 23.708 27.987 1.00 0.00 C ATOM 20026 O4 U B 932 69.561 24.810 28.490 1.00 0.00 O ATOM 20027 C5 U B 932 69.724 23.398 26.579 1.00 0.00 C ATOM 20028 C6 U B 932 70.011 22.166 26.130 1.00 0.00 C ATOM 20029 P A B 933 68.620 16.166 29.727 1.00 0.00 P ATOM 20030 O1P A B 933 68.031 16.214 31.083 1.00 0.00 O ATOM 20031 O2P A B 933 70.034 15.737 29.653 1.00 0.00 O ATOM 20032 O5* A B 933 67.498 15.209 28.645 1.00 0.00 O ATOM 20033 C5* A B 933 66.225 14.594 28.271 1.00 0.00 C ATOM 20034 C4* A B 933 65.849 14.986 26.734 1.00 0.00 C ATOM 20035 O4* A B 933 67.079 15.322 26.029 1.00 0.00 O ATOM 20036 C3* A B 933 65.012 14.254 25.680 1.00 0.00 C ATOM 20037 O3* A B 933 63.420 14.057 25.924 1.00 0.00 O ATOM 20038 C2* A B 933 65.374 15.009 24.405 1.00 0.00 C ATOM 20039 O2* A B 933 64.709 16.261 24.355 1.00 0.00 O ATOM 20040 C1* A B 933 66.855 15.305 24.628 1.00 0.00 C ATOM 20041 N9 A B 933 67.913 14.179 23.933 1.00 0.00 N ATOM 20042 C8 A B 933 67.670 13.303 22.896 1.00 0.00 C ATOM 20043 N7 A B 933 68.730 12.690 22.465 1.00 0.00 N ATOM 20044 C5 A B 933 69.751 13.183 23.261 1.00 0.00 C ATOM 20045 C6 A B 933 71.133 12.928 23.303 1.00 0.00 C ATOM 20046 N6 A B 933 71.745 12.061 22.482 1.00 0.00 N ATOM 20047 N1 A B 933 71.858 13.590 24.221 1.00 0.00 N ATOM 20048 C2 A B 933 71.243 14.451 25.031 1.00 0.00 C ATOM 20049 N3 A B 933 69.969 14.774 25.089 1.00 0.00 N ATOM 20050 C4 A B 933 69.261 14.092 24.158 1.00 0.00 C ATOM 20051 P U B 934 62.324 12.585 25.426 1.00 0.00 P ATOM 20052 O1P U B 934 60.882 12.371 25.686 1.00 0.00 O ATOM 20053 O2P U B 934 63.246 11.635 26.083 1.00 0.00 O ATOM 20054 O5* U B 934 62.591 12.595 23.847 1.00 0.00 O ATOM 20055 C5* U B 934 61.872 11.672 23.009 1.00 0.00 C ATOM 20056 C4* U B 934 62.187 11.940 21.551 1.00 0.00 C ATOM 20057 O4* U B 934 61.624 13.231 21.177 1.00 0.00 O ATOM 20058 C3* U B 934 63.670 12.070 21.202 1.00 0.00 C ATOM 20059 O3* U B 934 64.258 10.824 20.992 1.00 0.00 O ATOM 20060 C2* U B 934 63.626 12.922 19.937 1.00 0.00 C ATOM 20061 O2* U B 934 63.227 12.144 18.820 1.00 0.00 O ATOM 20062 C1* U B 934 62.477 13.875 20.246 1.00 0.00 C ATOM 20063 N1 U B 934 62.919 15.168 20.845 1.00 0.00 N ATOM 20064 C2 U B 934 63.516 16.075 20.004 1.00 0.00 C ATOM 20065 O2 U B 934 63.696 15.862 18.817 1.00 0.00 O ATOM 20066 N3 U B 934 63.910 17.261 20.594 1.00 0.00 N ATOM 20067 C4 U B 934 63.759 17.604 21.922 1.00 0.00 C ATOM 20068 O4 U B 934 64.153 18.697 22.334 1.00 0.00 O ATOM 20069 C5 U B 934 63.120 16.588 22.725 1.00 0.00 C ATOM 20070 C6 U B 934 62.727 15.427 22.176 1.00 0.00 C ATOM 20071 P C B 935 65.817 10.610 21.423 1.00 0.00 P ATOM 20072 O1P C B 935 66.141 9.165 21.471 1.00 0.00 O ATOM 20073 O2P C B 935 66.094 11.372 22.660 1.00 0.00 O ATOM 20074 O5* C B 935 66.566 11.293 20.184 1.00 0.00 O ATOM 20075 C5* C B 935 66.359 10.760 18.864 1.00 0.00 C ATOM 20076 C4* C B 935 67.059 11.632 17.839 1.00 0.00 C ATOM 20077 O4* C B 935 66.391 12.924 17.784 1.00 0.00 O ATOM 20078 C3* C B 935 68.517 11.985 18.148 1.00 0.00 C ATOM 20079 O3* C B 935 69.385 10.977 17.733 1.00 0.00 O ATOM 20080 C2* C B 935 68.703 13.283 17.369 1.00 0.00 C ATOM 20081 O2* C B 935 68.850 13.019 15.982 1.00 0.00 O ATOM 20082 C1* C B 935 67.342 13.950 17.549 1.00 0.00 C ATOM 20083 N1 C B 935 67.288 14.897 18.697 1.00 0.00 N ATOM 20084 C2 C B 935 67.926 16.128 18.553 1.00 0.00 C ATOM 20085 O2 C B 935 68.502 16.377 17.489 1.00 0.00 O ATOM 20086 N3 C B 935 67.889 17.004 19.588 1.00 0.00 N ATOM 20087 C4 C B 935 67.255 16.694 20.724 1.00 0.00 C ATOM 20088 N4 C B 935 67.246 17.588 21.704 1.00 0.00 N ATOM 20089 C5 C B 935 66.593 15.436 20.892 1.00 0.00 C ATOM 20090 C6 C B 935 66.641 14.571 19.847 1.00 0.00 C ATOM 20091 P A B 936 70.735 10.695 18.608 1.00 0.00 P ATOM 20092 O1P A B 936 71.320 9.387 18.242 1.00 0.00 O ATOM 20093 O2P A B 936 70.438 10.890 20.046 1.00 0.00 O ATOM 20094 O5* A B 936 71.680 11.877 18.086 1.00 0.00 O ATOM 20095 C5* A B 936 72.021 11.935 16.691 1.00 0.00 C ATOM 20096 C4* A B 936 72.814 13.193 16.402 1.00 0.00 C ATOM 20097 O4* A B 936 71.944 14.349 16.574 1.00 0.00 O ATOM 20098 C3* A B 936 73.988 13.471 17.339 1.00 0.00 C ATOM 20099 O3* A B 936 75.133 12.785 16.946 1.00 0.00 O ATOM 20100 C2* A B 936 74.140 14.988 17.221 1.00 0.00 C ATOM 20101 O2* A B 936 74.775 15.335 16.003 1.00 0.00 O ATOM 20102 C1* A B 936 72.686 15.434 17.110 1.00 0.00 C ATOM 20103 N9 A B 936 72.074 15.812 18.414 1.00 0.00 N ATOM 20104 C8 A B 936 71.156 15.120 19.173 1.00 0.00 C ATOM 20105 N7 A B 936 70.818 15.725 20.269 1.00 0.00 N ATOM 20106 C5 A B 936 71.557 16.901 20.246 1.00 0.00 C ATOM 20107 C6 A B 936 71.647 17.982 21.139 1.00 0.00 C ATOM 20108 N6 A B 936 70.949 18.055 22.280 1.00 0.00 N ATOM 20109 N1 A B 936 72.476 18.989 20.809 1.00 0.00 N ATOM 20110 C2 A B 936 73.165 18.908 19.672 1.00 0.00 C ATOM 20111 N3 A B 936 73.164 17.953 18.766 1.00 0.00 N ATOM 20112 C4 A B 936 72.324 16.960 19.118 1.00 0.00 C ATOM 20113 P C B 937 76.162 12.248 18.094 1.00 0.00 P ATOM 20114 O1P C B 937 77.092 11.249 17.521 1.00 0.00 O ATOM 20115 O2P C B 937 75.392 11.803 19.276 1.00 0.00 O ATOM 20116 O5* C B 937 76.956 13.593 18.440 1.00 0.00 O ATOM 20117 C5* C B 937 77.705 14.247 17.400 1.00 0.00 C ATOM 20118 C4* C B 937 78.270 15.557 17.915 1.00 0.00 C ATOM 20119 O4* C B 937 77.168 16.480 18.157 1.00 0.00 O ATOM 20120 C3* C B 937 78.997 15.488 19.256 1.00 0.00 C ATOM 20121 O3* C B 937 80.324 15.100 19.098 1.00 0.00 O ATOM 20122 C2* C B 937 78.859 16.922 19.768 1.00 0.00 C ATOM 20123 O2* C B 937 79.764 17.783 19.095 1.00 0.00 O ATOM 20124 C1* C B 937 77.458 17.285 19.288 1.00 0.00 C ATOM 20125 N1 C B 937 76.397 17.048 20.305 1.00 0.00 N ATOM 20126 C2 C B 937 76.314 17.933 21.378 1.00 0.00 C ATOM 20127 O2 C B 937 77.116 18.872 21.438 1.00 0.00 O ATOM 20128 N3 C B 937 75.355 17.732 22.316 1.00 0.00 N ATOM 20129 C4 C B 937 74.504 16.704 22.214 1.00 0.00 C ATOM 20130 N4 C B 937 73.586 16.554 23.157 1.00 0.00 N ATOM 20131 C5 C B 937 74.573 15.781 21.120 1.00 0.00 C ATOM 20132 C6 C B 937 75.540 15.998 20.194 1.00 0.00 C ATOM 20133 P G B 938 81.021 14.194 20.266 1.00 0.00 P ATOM 20134 O1P G B 938 82.273 13.583 19.763 1.00 0.00 O ATOM 20135 O2P G B 938 80.023 13.252 20.818 1.00 0.00 O ATOM 20136 O5* G B 938 81.367 15.317 21.350 1.00 0.00 O ATOM 20137 C5* G B 938 82.254 16.391 20.988 1.00 0.00 C ATOM 20138 C4* G B 938 82.340 17.398 22.118 1.00 0.00 C ATOM 20139 O4* G B 938 81.052 18.066 22.249 1.00 0.00 O ATOM 20140 C3* G B 938 82.598 16.819 23.507 1.00 0.00 C ATOM 20141 O3* G B 938 83.959 16.611 23.732 1.00 0.00 O ATOM 20142 C2* G B 938 82.012 17.896 24.417 1.00 0.00 C ATOM 20143 O2* G B 938 82.879 19.014 24.500 1.00 0.00 O ATOM 20144 C1* G B 938 80.791 18.343 23.615 1.00 0.00 C ATOM 20145 N9 G B 938 79.535 17.636 23.996 1.00 0.00 N ATOM 20146 C8 G B 938 78.849 16.653 23.318 1.00 0.00 C ATOM 20147 N7 G B 938 77.766 16.237 23.930 1.00 0.00 N ATOM 20148 C5 G B 938 77.733 17.001 25.099 1.00 0.00 C ATOM 20149 C6 G B 938 76.796 17.003 26.160 1.00 0.00 C ATOM 20150 O6 G B 938 75.784 16.319 26.296 1.00 0.00 O ATOM 20151 N1 G B 938 77.143 17.934 27.149 1.00 0.00 N ATOM 20152 C2 G B 938 78.250 18.758 27.110 1.00 0.00 C ATOM 20153 N2 G B 938 78.406 19.580 28.151 1.00 0.00 N ATOM 20154 N3 G B 938 79.131 18.757 26.113 1.00 0.00 N ATOM 20155 C4 G B 938 78.808 17.857 25.147 1.00 0.00 C ATOM 20156 P G B 939 84.419 15.347 24.652 1.00 0.00 P ATOM 20157 O1P G B 939 85.862 15.078 24.472 1.00 0.00 O ATOM 20158 O2P G B 939 83.515 14.201 24.405 1.00 0.00 O ATOM 20159 O5* G B 939 84.158 15.933 26.118 1.00 0.00 O ATOM 20160 C5* G B 939 84.870 17.110 26.539 1.00 0.00 C ATOM 20161 C4* G B 939 84.379 17.559 27.899 1.00 0.00 C ATOM 20162 O4* G B 939 83.008 18.033 27.774 1.00 0.00 O ATOM 20163 C3* G B 939 84.295 16.469 28.968 1.00 0.00 C ATOM 20164 O3* G B 939 85.525 16.271 29.592 1.00 0.00 O ATOM 20165 C2* G B 939 83.237 17.032 29.916 1.00 0.00 C ATOM 20166 O2* G B 939 83.783 18.062 30.723 1.00 0.00 O ATOM 20167 C1* G B 939 82.274 17.697 28.939 1.00 0.00 C ATOM 20168 N9 G B 939 81.138 16.823 28.533 1.00 0.00 N ATOM 20169 C8 G B 939 80.924 16.173 27.337 1.00 0.00 C ATOM 20170 N7 G B 939 79.814 15.476 27.298 1.00 0.00 N ATOM 20171 C5 G B 939 79.254 15.678 28.560 1.00 0.00 C ATOM 20172 C6 G B 939 78.046 15.179 29.114 1.00 0.00 C ATOM 20173 O6 G B 939 77.209 14.441 28.597 1.00 0.00 O ATOM 20174 N1 G B 939 77.858 15.633 30.423 1.00 0.00 N ATOM 20175 C2 G B 939 78.724 16.462 31.113 1.00 0.00 C ATOM 20176 N2 G B 939 78.363 16.782 32.357 1.00 0.00 N ATOM 20177 N3 G B 939 79.855 16.931 30.592 1.00 0.00 N ATOM 20178 C4 G B 939 80.053 16.500 29.319 1.00 0.00 C ATOM 20179 P G B 940 85.920 14.764 30.088 1.00 0.00 P ATOM 20180 O1P G B 940 87.368 14.684 30.378 1.00 0.00 O ATOM 20181 O2P G B 940 85.402 13.776 29.114 1.00 0.00 O ATOM 20182 O5* G B 940 85.088 14.671 31.452 1.00 0.00 O ATOM 20183 C5* G B 940 85.368 15.606 32.508 1.00 0.00 C ATOM 20184 C4* G B 940 84.386 15.415 33.647 1.00 0.00 C ATOM 20185 O4* G B 940 83.060 15.815 33.197 1.00 0.00 O ATOM 20186 C3* G B 940 84.195 13.976 34.125 1.00 0.00 C ATOM 20187 O3* G B 940 85.173 13.608 35.045 1.00 0.00 O ATOM 20188 C2* G B 940 82.798 14.027 34.739 1.00 0.00 C ATOM 20189 O2* G B 940 82.830 14.658 36.009 1.00 0.00 O ATOM 20190 C1* G B 940 82.079 14.979 33.791 1.00 0.00 C ATOM 20191 N9 G B 940 81.341 14.289 32.696 1.00 0.00 N ATOM 20192 C8 G B 940 81.661 14.185 31.359 1.00 0.00 C ATOM 20193 N7 G B 940 80.792 13.501 30.654 1.00 0.00 N ATOM 20194 C5 G B 940 79.826 13.125 31.589 1.00 0.00 C ATOM 20195 C6 G B 940 78.639 12.369 31.425 1.00 0.00 C ATOM 20196 O6 G B 940 78.184 11.866 30.400 1.00 0.00 O ATOM 20197 N1 G B 940 77.952 12.223 32.636 1.00 0.00 N ATOM 20198 C2 G B 940 78.359 12.738 33.852 1.00 0.00 C ATOM 20199 N2 G B 940 77.565 12.488 34.893 1.00 0.00 N ATOM 20200 N3 G B 940 79.474 13.449 34.006 1.00 0.00 N ATOM 20201 C4 G B 940 80.155 13.602 32.838 1.00 0.00 C ATOM 20202 P A B 941 85.797 11.868 34.198 1.00 0.00 P ATOM 20203 O1P A B 941 84.846 11.694 33.077 1.00 0.00 O ATOM 20204 O2P A B 941 85.701 10.868 35.287 1.00 0.00 O ATOM 20205 O5* A B 941 87.501 11.427 33.255 1.00 0.00 O ATOM 20206 C5* A B 941 89.009 10.818 33.187 1.00 0.00 C ATOM 20207 C4* A B 941 90.231 10.285 31.995 1.00 0.00 C ATOM 20208 O4* A B 941 89.720 9.984 30.667 1.00 0.00 O ATOM 20209 C3* A B 941 91.452 9.382 32.145 1.00 0.00 C ATOM 20210 O3* A B 941 92.966 9.474 32.790 1.00 0.00 O ATOM 20211 C2* A B 941 91.012 8.123 31.399 1.00 0.00 C ATOM 20212 O2* A B 941 90.108 7.368 32.191 1.00 0.00 O ATOM 20213 C1* A B 941 90.200 8.711 30.246 1.00 0.00 C ATOM 20214 N9 A B 941 91.066 8.917 28.805 1.00 0.00 N ATOM 20215 C8 A B 941 92.144 9.738 28.565 1.00 0.00 C ATOM 20216 N7 A B 941 92.715 9.539 27.417 1.00 0.00 N ATOM 20217 C5 A B 941 91.968 8.519 26.846 1.00 0.00 C ATOM 20218 C6 A B 941 92.070 7.849 25.616 1.00 0.00 C ATOM 20219 N6 A B 941 93.007 8.125 24.695 1.00 0.00 N ATOM 20220 N1 A B 941 91.163 6.882 25.365 1.00 0.00 N ATOM 20221 C2 A B 941 90.238 6.618 26.284 1.00 0.00 C ATOM 20222 N3 A B 941 90.050 7.174 27.463 1.00 0.00 N ATOM 20223 C4 A B 941 90.967 8.133 27.686 1.00 0.00 C ATOM 20224 P G B 942 93.788 8.302 34.085 1.00 0.00 P ATOM 20225 O1P G B 942 92.997 7.055 34.057 1.00 0.00 O ATOM 20226 O2P G B 942 93.842 9.005 35.389 1.00 0.00 O ATOM 20227 O5* G B 942 95.646 7.859 33.845 1.00 0.00 O ATOM 20228 C5* G B 942 96.607 6.748 34.346 1.00 0.00 C ATOM 20229 C4* G B 942 98.111 6.787 35.130 1.00 0.00 C ATOM 20230 O4* G B 942 98.335 6.430 36.519 1.00 0.00 O ATOM 20231 C3* G B 942 99.491 6.643 34.485 1.00 0.00 C ATOM 20232 O3* G B 942 99.835 6.638 33.006 1.00 0.00 O ATOM 20233 C2* G B 942 100.416 7.117 35.601 1.00 0.00 C ATOM 20234 O2* G B 942 100.386 8.532 35.705 1.00 0.00 O ATOM 20235 C1* G B 942 99.713 6.570 36.839 1.00 0.00 C ATOM 20236 N9 G B 942 100.307 5.030 37.388 1.00 0.00 N ATOM 20237 C8 G B 942 99.599 3.911 37.783 1.00 0.00 C ATOM 20238 N7 G B 942 100.345 2.948 38.260 1.00 0.00 N ATOM 20239 C5 G B 942 101.642 3.460 38.186 1.00 0.00 C ATOM 20240 C6 G B 942 102.877 2.878 38.560 1.00 0.00 C ATOM 20241 O6 G B 942 103.092 1.770 39.048 1.00 0.00 O ATOM 20242 N1 G B 942 103.950 3.742 38.310 1.00 0.00 N ATOM 20243 C2 G B 942 103.841 5.006 37.768 1.00 0.00 C ATOM 20244 N2 G B 942 104.984 5.681 37.608 1.00 0.00 N ATOM 20245 N3 G B 942 102.681 5.558 37.414 1.00 0.00 N ATOM 20246 C4 G B 942 101.630 4.728 37.654 1.00 0.00 C ATOM 20247 P A B 943 100.575 5.127 32.292 1.00 0.00 P ATOM 20248 O1P A B 943 99.903 3.896 32.760 1.00 0.00 O ATOM 20249 O2P A B 943 102.057 5.117 32.360 1.00 0.00 O ATOM 20250 O5* A B 943 100.021 5.644 30.633 1.00 0.00 O ATOM 20251 C5* A B 943 100.725 6.107 29.464 1.00 0.00 C ATOM 20252 C4* A B 943 100.234 7.527 28.849 1.00 0.00 C ATOM 20253 O4* A B 943 98.833 7.921 28.974 1.00 0.00 O ATOM 20254 C3* A B 943 100.996 8.845 28.971 1.00 0.00 C ATOM 20255 O3* A B 943 102.499 8.809 28.676 1.00 0.00 O ATOM 20256 C2* A B 943 100.066 9.826 28.261 1.00 0.00 C ATOM 20257 O2* A B 943 100.150 9.674 26.852 1.00 0.00 O ATOM 20258 C1* A B 943 98.694 9.300 28.678 1.00 0.00 C ATOM 20259 N9 A B 943 98.019 10.075 30.037 1.00 0.00 N ATOM 20260 C8 A B 943 96.958 10.948 30.081 1.00 0.00 C ATOM 20261 N7 A B 943 96.556 11.231 31.282 1.00 0.00 N ATOM 20262 C5 A B 943 97.403 10.498 32.100 1.00 0.00 C ATOM 20263 C6 A B 943 97.491 10.364 33.495 1.00 0.00 C ATOM 20264 N6 A B 943 96.676 10.998 34.353 1.00 0.00 N ATOM 20265 N1 A B 943 98.448 9.555 33.981 1.00 0.00 N ATOM 20266 C2 A B 943 99.252 8.930 33.126 1.00 0.00 C ATOM 20267 N3 A B 943 99.268 8.977 31.814 1.00 0.00 N ATOM 20268 C4 A B 943 98.301 9.792 31.353 1.00 0.00 C ATOM 20269 P C B 944 103.174 10.019 27.479 1.00 0.00 P ATOM 20270 O1P C B 944 102.699 9.744 26.104 1.00 0.00 O ATOM 20271 O2P C B 944 104.636 10.179 27.636 1.00 0.00 O ATOM 20272 O5* C B 944 102.263 11.390 28.254 1.00 0.00 O ATOM 20273 C5* C B 944 101.337 12.485 28.320 1.00 0.00 C ATOM 20274 C4* C B 944 101.716 13.705 27.318 1.00 0.00 C ATOM 20275 O4* C B 944 102.904 13.542 26.487 1.00 0.00 O ATOM 20276 C3* C B 944 100.723 14.418 26.403 1.00 0.00 C ATOM 20277 O3* C B 944 99.490 15.070 27.073 1.00 0.00 O ATOM 20278 C2* C B 944 101.635 15.341 25.596 1.00 0.00 C ATOM 20279 O2* C B 944 102.026 16.462 26.375 1.00 0.00 O ATOM 20280 C1* C B 944 102.873 14.466 25.415 1.00 0.00 C ATOM 20281 N1 C B 944 102.918 13.589 23.945 1.00 0.00 N ATOM 20282 C2 C B 944 102.919 14.316 22.755 1.00 0.00 C ATOM 20283 O2 C B 944 102.879 15.551 22.808 1.00 0.00 O ATOM 20284 N3 C B 944 102.965 13.638 21.578 1.00 0.00 N ATOM 20285 C4 C B 944 103.010 12.298 21.564 1.00 0.00 C ATOM 20286 N4 C B 944 103.056 11.686 20.394 1.00 0.00 N ATOM 20287 C5 C B 944 103.013 11.536 22.780 1.00 0.00 C ATOM 20288 C6 C B 944 102.965 12.231 23.941 1.00 0.00 C ATOM 20289 P A B 945 97.958 14.061 27.175 1.00 0.00 P ATOM 20290 O1P A B 945 98.161 12.870 28.034 1.00 0.00 O ATOM 20291 O2P A B 945 97.382 13.800 25.839 1.00 0.00 O ATOM 20292 O5* A B 945 96.987 15.354 28.041 1.00 0.00 O ATOM 20293 C5* A B 945 95.808 15.669 28.833 1.00 0.00 C ATOM 20294 C4* A B 945 94.719 16.707 28.171 1.00 0.00 C ATOM 20295 O4* A B 945 94.474 16.810 26.738 1.00 0.00 O ATOM 20296 C3* A B 945 94.156 18.008 28.739 1.00 0.00 C ATOM 20297 O3* A B 945 93.974 18.358 30.179 1.00 0.00 O ATOM 20298 C2* A B 945 94.500 19.009 27.637 1.00 0.00 C ATOM 20299 O2* A B 945 95.874 19.350 27.681 1.00 0.00 O ATOM 20300 C1* A B 945 94.291 18.174 26.381 1.00 0.00 C ATOM 20301 N9 A B 945 92.783 18.336 25.680 1.00 0.00 N ATOM 20302 C8 A B 945 91.825 17.369 25.473 1.00 0.00 C ATOM 20303 N7 A B 945 90.791 17.785 24.806 1.00 0.00 N ATOM 20304 C5 A B 945 91.075 19.120 24.551 1.00 0.00 C ATOM 20305 C6 A B 945 90.365 20.125 23.876 1.00 0.00 C ATOM 20306 N6 A B 945 89.163 19.931 23.310 1.00 0.00 N ATOM 20307 N1 A B 945 90.929 21.345 23.805 1.00 0.00 N ATOM 20308 C2 A B 945 92.116 21.531 24.373 1.00 0.00 C ATOM 20309 N3 A B 945 92.872 20.676 25.026 1.00 0.00 N ATOM 20310 C4 A B 945 92.284 19.465 25.082 1.00 0.00 C ATOM 20311 P C B 946 92.337 18.749 30.926 1.00 0.00 P ATOM 20312 O1P C B 946 91.118 19.222 30.236 1.00 0.00 O ATOM 20313 O2P C B 946 92.816 19.595 32.042 1.00 0.00 O ATOM 20314 O5* C B 946 92.121 17.248 31.440 1.00 0.00 O ATOM 20315 C5* C B 946 91.712 16.240 30.497 1.00 0.00 C ATOM 20316 C4* C B 946 91.689 14.880 31.168 1.00 0.00 C ATOM 20317 O4* C B 946 93.056 14.492 31.492 1.00 0.00 O ATOM 20318 C3* C B 946 90.959 14.811 32.508 1.00 0.00 C ATOM 20319 O3* C B 946 89.589 14.633 32.338 1.00 0.00 O ATOM 20320 C2* C B 946 91.629 13.614 33.176 1.00 0.00 C ATOM 20321 O2* C B 946 91.150 12.398 32.628 1.00 0.00 O ATOM 20322 C1* C B 946 93.074 13.772 32.713 1.00 0.00 C ATOM 20323 N1 C B 946 93.933 14.517 33.675 1.00 0.00 N ATOM 20324 C2 C B 946 94.328 13.860 34.837 1.00 0.00 C ATOM 20325 O2 C B 946 93.953 12.698 35.021 1.00 0.00 O ATOM 20326 N3 C B 946 95.110 14.523 35.727 1.00 0.00 N ATOM 20327 C4 C B 946 95.495 15.784 35.490 1.00 0.00 C ATOM 20328 N4 C B 946 96.258 16.386 36.389 1.00 0.00 N ATOM 20329 C5 C B 946 95.102 16.477 34.301 1.00 0.00 C ATOM 20330 C6 C B 946 94.320 15.798 33.426 1.00 0.00 C ATOM 20331 P A B 947 88.566 15.321 33.406 1.00 0.00 P ATOM 20332 O1P A B 947 87.190 15.333 32.865 1.00 0.00 O ATOM 20333 O2P A B 947 89.105 16.633 33.830 1.00 0.00 O ATOM 20334 O5* A B 947 88.659 14.281 34.621 1.00 0.00 O ATOM 20335 C5* A B 947 88.266 12.916 34.402 1.00 0.00 C ATOM 20336 C4* A B 947 88.554 12.087 35.639 1.00 0.00 C ATOM 20337 O4* A B 947 89.996 11.994 35.819 1.00 0.00 O ATOM 20338 C3* A B 947 88.055 12.674 36.961 1.00 0.00 C ATOM 20339 O3* A B 947 86.717 12.358 37.187 1.00 0.00 O ATOM 20340 C2* A B 947 88.991 12.018 37.973 1.00 0.00 C ATOM 20341 O2* A B 947 88.626 10.670 38.203 1.00 0.00 O ATOM 20342 C1* A B 947 90.308 11.997 37.202 1.00 0.00 C ATOM 20343 N9 A B 947 91.180 13.172 37.473 1.00 0.00 N ATOM 20344 C8 A B 947 91.445 14.259 36.671 1.00 0.00 C ATOM 20345 N7 A B 947 92.254 15.122 37.201 1.00 0.00 N ATOM 20346 C5 A B 947 92.558 14.578 38.441 1.00 0.00 C ATOM 20347 C6 A B 947 93.377 15.018 39.497 1.00 0.00 C ATOM 20348 N6 A B 947 94.072 16.163 39.461 1.00 0.00 N ATOM 20349 N1 A B 947 93.453 14.237 40.588 1.00 0.00 N ATOM 20350 C2 A B 947 92.758 13.101 40.617 1.00 0.00 C ATOM 20351 N3 A B 947 91.966 12.589 39.698 1.00 0.00 N ATOM 20352 C4 A B 947 91.906 13.391 38.615 1.00 0.00 C ATOM 20353 P C B 948 85.779 13.441 37.969 1.00 0.00 P ATOM 20354 O1P C B 948 84.348 13.103 37.789 1.00 0.00 O ATOM 20355 O2P C B 948 86.170 14.811 37.573 1.00 0.00 O ATOM 20356 O5* C B 948 86.211 13.170 39.488 1.00 0.00 O ATOM 20357 C5* C B 948 86.001 11.862 40.049 1.00 0.00 C ATOM 20358 C4* C B 948 86.594 11.799 41.443 1.00 0.00 C ATOM 20359 O4* C B 948 88.044 11.885 41.341 1.00 0.00 O ATOM 20360 C3* C B 948 86.221 12.949 42.381 1.00 0.00 C ATOM 20361 O3* C B 948 84.996 12.722 43.003 1.00 0.00 O ATOM 20362 C2* C B 948 87.391 12.952 43.363 1.00 0.00 C ATOM 20363 O2* C B 948 87.269 11.888 44.291 1.00 0.00 O ATOM 20364 C1* C B 948 88.563 12.609 42.448 1.00 0.00 C ATOM 20365 N1 C B 948 89.278 13.805 41.921 1.00 0.00 N ATOM 20366 C2 C B 948 90.103 14.504 42.794 1.00 0.00 C ATOM 20367 O2 C B 948 90.206 14.111 43.963 1.00 0.00 O ATOM 20368 N3 C B 948 90.765 15.598 42.335 1.00 0.00 N ATOM 20369 C4 C B 948 90.625 15.994 41.062 1.00 0.00 C ATOM 20370 N4 C B 948 91.293 17.064 40.660 1.00 0.00 N ATOM 20371 C5 C B 948 89.782 15.285 40.146 1.00 0.00 C ATOM 20372 C6 C B 948 89.129 14.197 40.627 1.00 0.00 C ATOM 20373 P G B 949 84.035 14.000 43.333 1.00 0.00 P ATOM 20374 O1P G B 949 82.662 13.542 43.643 1.00 0.00 O ATOM 20375 O2P G B 949 84.151 14.995 42.243 1.00 0.00 O ATOM 20376 O5* G B 949 84.728 14.565 44.659 1.00 0.00 O ATOM 20377 C5* G B 949 84.807 13.718 45.821 1.00 0.00 C ATOM 20378 C4* G B 949 85.610 14.403 46.908 1.00 0.00 C ATOM 20379 O4* G B 949 86.997 14.504 46.478 1.00 0.00 O ATOM 20380 C3* G B 949 85.215 15.846 47.218 1.00 0.00 C ATOM 20381 O3* G B 949 84.146 15.907 48.111 1.00 0.00 O ATOM 20382 C2* G B 949 86.506 16.414 47.804 1.00 0.00 C ATOM 20383 O2* G B 949 86.690 15.970 49.137 1.00 0.00 O ATOM 20384 C1* G B 949 87.561 15.717 46.953 1.00 0.00 C ATOM 20385 N9 G B 949 88.000 16.511 45.773 1.00 0.00 N ATOM 20386 C8 G B 949 87.698 16.331 44.440 1.00 0.00 C ATOM 20387 N7 G B 949 88.249 17.216 43.644 1.00 0.00 N ATOM 20388 C5 G B 949 88.969 18.040 44.509 1.00 0.00 C ATOM 20389 C6 G B 949 89.772 19.176 44.233 1.00 0.00 C ATOM 20390 O6 G B 949 90.022 19.697 43.150 1.00 0.00 O ATOM 20391 N1 G B 949 90.317 19.713 45.408 1.00 0.00 N ATOM 20392 C2 G B 949 90.113 19.220 46.681 1.00 0.00 C ATOM 20393 N2 G B 949 90.723 19.874 47.672 1.00 0.00 N ATOM 20394 N3 G B 949 89.357 18.153 46.939 1.00 0.00 N ATOM 20395 C4 G B 949 88.821 17.618 45.810 1.00 0.00 C ATOM 20396 P G B 950 83.065 17.121 47.963 1.00 0.00 P ATOM 20397 O1P G B 950 81.840 16.813 48.736 1.00 0.00 O ATOM 20398 O2P G B 950 82.863 17.428 46.529 1.00 0.00 O ATOM 20399 O5* G B 950 83.860 18.318 48.667 1.00 0.00 O ATOM 20400 C5* G B 950 84.241 18.186 50.048 1.00 0.00 C ATOM 20401 C4* G B 950 85.088 19.373 50.469 1.00 0.00 C ATOM 20402 O4* G B 950 86.364 19.314 49.765 1.00 0.00 O ATOM 20403 C3* G B 950 84.530 20.748 50.104 1.00 0.00 C ATOM 20404 O3* G B 950 83.615 21.197 51.055 1.00 0.00 O ATOM 20405 C2* G B 950 85.795 21.602 50.055 1.00 0.00 C ATOM 20406 O2* G B 950 86.247 21.910 51.364 1.00 0.00 O ATOM 20407 C1* G B 950 86.802 20.627 49.456 1.00 0.00 C ATOM 20408 N9 G B 950 86.930 20.730 47.977 1.00 0.00 N ATOM 20409 C8 G B 950 86.384 19.933 46.995 1.00 0.00 C ATOM 20410 N7 G B 950 86.694 20.299 45.775 1.00 0.00 N ATOM 20411 C5 G B 950 87.503 21.421 45.961 1.00 0.00 C ATOM 20412 C6 G B 950 88.140 22.253 45.007 1.00 0.00 C ATOM 20413 O6 G B 950 88.125 22.174 43.780 1.00 0.00 O ATOM 20414 N1 G B 950 88.864 23.280 45.628 1.00 0.00 N ATOM 20415 C2 G B 950 88.959 23.477 46.992 1.00 0.00 C ATOM 20416 N2 G B 950 89.698 24.516 47.383 1.00 0.00 N ATOM 20417 N3 G B 950 88.358 22.693 47.886 1.00 0.00 N ATOM 20418 C4 G B 950 87.651 21.693 47.300 1.00 0.00 C ATOM 20419 P C B 951 82.353 22.108 50.560 1.00 0.00 P ATOM 20420 O1P C B 951 81.322 22.171 51.620 1.00 0.00 O ATOM 20421 O2P C B 951 81.889 21.631 49.238 1.00 0.00 O ATOM 20422 O5* C B 951 83.056 23.536 50.405 1.00 0.00 O ATOM 20423 C5* C B 951 83.662 24.147 51.558 1.00 0.00 C ATOM 20424 C4* C B 951 84.371 25.425 51.157 1.00 0.00 C ATOM 20425 O4* C B 951 85.518 25.086 50.327 1.00 0.00 O ATOM 20426 C3* C B 951 83.563 26.392 50.292 1.00 0.00 C ATOM 20427 O3* C B 951 82.746 27.212 51.068 1.00 0.00 O ATOM 20428 C2* C B 951 84.662 27.169 49.571 1.00 0.00 C ATOM 20429 O2* C B 951 85.254 28.124 50.435 1.00 0.00 O ATOM 20430 C1* C B 951 85.702 26.078 49.331 1.00 0.00 C ATOM 20431 N1 C B 951 85.585 25.420 48.000 1.00 0.00 N ATOM 20432 C2 C B 951 86.010 26.138 46.883 1.00 0.00 C ATOM 20433 O2 C B 951 86.461 27.277 47.043 1.00 0.00 O ATOM 20434 N3 C B 951 85.912 25.556 45.661 1.00 0.00 N ATOM 20435 C4 C B 951 85.418 24.318 45.530 1.00 0.00 C ATOM 20436 N4 C B 951 85.344 23.798 44.315 1.00 0.00 N ATOM 20437 C5 C B 951 84.976 23.565 46.665 1.00 0.00 C ATOM 20438 C6 C B 951 85.083 24.164 47.878 1.00 0.00 C ATOM 20439 P G B 952 81.301 27.674 50.465 1.00 0.00 P ATOM 20440 O1P G B 952 80.445 28.213 51.548 1.00 0.00 O ATOM 20441 O2P G B 952 80.720 26.568 49.677 1.00 0.00 O ATOM 20442 O5* G B 952 81.749 28.861 49.489 1.00 0.00 O ATOM 20443 C5* G B 952 82.423 30.005 50.042 1.00 0.00 C ATOM 20444 C4* G B 952 82.862 30.936 48.931 1.00 0.00 C ATOM 20445 O4* G B 952 83.908 30.282 48.154 1.00 0.00 O ATOM 20446 C3* G B 952 81.796 31.285 47.891 1.00 0.00 C ATOM 20447 O3* G B 952 80.991 32.341 48.314 1.00 0.00 O ATOM 20448 C2* G B 952 82.643 31.641 46.671 1.00 0.00 C ATOM 20449 O2* G B 952 83.210 32.933 46.812 1.00 0.00 O ATOM 20450 C1* G B 952 83.786 30.638 46.786 1.00 0.00 C ATOM 20451 N9 G B 952 83.567 29.391 46.003 1.00 0.00 N ATOM 20452 C8 G B 952 83.241 28.128 46.451 1.00 0.00 C ATOM 20453 N7 G B 952 83.120 27.238 45.495 1.00 0.00 N ATOM 20454 C5 G B 952 83.386 27.964 44.333 1.00 0.00 C ATOM 20455 C6 G B 952 83.408 27.541 42.980 1.00 0.00 C ATOM 20456 O6 G B 952 83.192 26.424 42.516 1.00 0.00 O ATOM 20457 N1 G B 952 83.726 28.600 42.118 1.00 0.00 N ATOM 20458 C2 G B 952 83.987 29.896 42.513 1.00 0.00 C ATOM 20459 N2 G B 952 84.272 30.762 41.537 1.00 0.00 N ATOM 20460 N3 G B 952 83.966 30.291 43.785 1.00 0.00 N ATOM 20461 C4 G B 952 83.660 29.276 44.634 1.00 0.00 C ATOM 20462 P G B 953 79.418 32.353 47.881 1.00 0.00 P ATOM 20463 O1P G B 953 78.666 33.322 48.711 1.00 0.00 O ATOM 20464 O2P G B 953 78.897 30.969 47.875 1.00 0.00 O ATOM 20465 O5* G B 953 79.528 32.898 46.380 1.00 0.00 O ATOM 20466 C5* G B 953 80.097 34.198 46.146 1.00 0.00 C ATOM 20467 C4* G B 953 80.217 34.456 44.659 1.00 0.00 C ATOM 20468 O4* G B 953 81.218 33.554 44.103 1.00 0.00 O ATOM 20469 C3* G B 953 78.964 34.168 43.830 1.00 0.00 C ATOM 20470 O3* G B 953 78.085 35.248 43.840 1.00 0.00 O ATOM 20471 C2* G B 953 79.549 33.900 42.448 1.00 0.00 C ATOM 20472 O2* G B 953 79.931 35.110 41.818 1.00 0.00 O ATOM 20473 C1* G B 953 80.836 33.157 42.797 1.00 0.00 C ATOM 20474 N9 G B 953 80.693 31.673 42.791 1.00 0.00 N ATOM 20475 C8 G B 953 80.631 30.800 43.856 1.00 0.00 C ATOM 20476 N7 G B 953 80.502 29.542 43.506 1.00 0.00 N ATOM 20477 C5 G B 953 80.477 29.586 42.111 1.00 0.00 C ATOM 20478 C6 G B 953 80.354 28.537 41.167 1.00 0.00 C ATOM 20479 O6 G B 953 80.243 27.329 41.368 1.00 0.00 O ATOM 20480 N1 G B 953 80.374 29.025 39.855 1.00 0.00 N ATOM 20481 C2 G B 953 80.494 30.354 39.500 1.00 0.00 C ATOM 20482 N2 G B 953 80.491 30.615 38.191 1.00 0.00 N ATOM 20483 N3 G B 953 80.607 31.339 40.386 1.00 0.00 N ATOM 20484 C4 G B 953 80.592 30.882 41.666 1.00 0.00 C ATOM 20485 P G B 954 76.480 34.956 43.793 1.00 0.00 P ATOM 20486 O1P G B 954 75.726 36.170 44.178 1.00 0.00 O ATOM 20487 O2P G B 954 76.179 33.735 44.574 1.00 0.00 O ATOM 20488 O5* G B 954 76.276 34.664 42.233 1.00 0.00 O ATOM 20489 C5* G B 954 76.600 35.693 41.280 1.00 0.00 C ATOM 20490 C4* G B 954 76.449 35.161 39.868 1.00 0.00 C ATOM 20491 O4* G B 954 77.479 34.159 39.633 1.00 0.00 O ATOM 20492 C3* G B 954 75.144 34.426 39.568 1.00 0.00 C ATOM 20493 O3* G B 954 74.124 35.311 39.231 1.00 0.00 O ATOM 20494 C2* G B 954 75.547 33.521 38.406 1.00 0.00 C ATOM 20495 O2* G B 954 75.640 34.261 37.203 1.00 0.00 O ATOM 20496 C1* G B 954 76.967 33.131 38.800 1.00 0.00 C ATOM 20497 N9 G B 954 77.052 31.845 39.550 1.00 0.00 N ATOM 20498 C8 G B 954 77.284 31.635 40.891 1.00 0.00 C ATOM 20499 N7 G B 954 77.297 30.371 41.239 1.00 0.00 N ATOM 20500 C5 G B 954 77.051 29.696 40.041 1.00 0.00 C ATOM 20501 C6 G B 954 76.947 28.306 39.782 1.00 0.00 C ATOM 20502 O6 G B 954 77.050 27.366 40.566 1.00 0.00 O ATOM 20503 N1 G B 954 76.692 28.057 38.427 1.00 0.00 N ATOM 20504 C2 G B 954 76.553 29.026 37.448 1.00 0.00 C ATOM 20505 N2 G B 954 76.310 28.582 36.215 1.00 0.00 N ATOM 20506 N3 G B 954 76.651 30.329 37.694 1.00 0.00 N ATOM 20507 C4 G B 954 76.900 30.587 39.006 1.00 0.00 C ATOM 20508 P U B 955 72.592 34.952 39.668 1.00 0.00 P ATOM 20509 O1P U B 955 71.731 36.150 39.557 1.00 0.00 O ATOM 20510 O2P U B 955 72.602 34.284 40.989 1.00 0.00 O ATOM 20511 O5* U B 955 72.200 33.895 38.534 1.00 0.00 O ATOM 20512 C5* U B 955 72.214 34.312 37.157 1.00 0.00 C ATOM 20513 C4* U B 955 71.934 33.128 36.252 1.00 0.00 C ATOM 20514 O4* U B 955 73.055 32.200 36.327 1.00 0.00 O ATOM 20515 C3* U B 955 70.723 32.274 36.628 1.00 0.00 C ATOM 20516 O3* U B 955 69.540 32.809 36.120 1.00 0.00 O ATOM 20517 C2* U B 955 71.076 30.926 36.004 1.00 0.00 C ATOM 20518 O2* U B 955 70.871 30.951 34.602 1.00 0.00 O ATOM 20519 C1* U B 955 72.582 30.866 36.231 1.00 0.00 C ATOM 20520 N1 U B 955 72.972 30.151 37.478 1.00 0.00 N ATOM 20521 C2 U B 955 72.864 28.780 37.471 1.00 0.00 C ATOM 20522 O2 U B 955 72.468 28.150 36.505 1.00 0.00 O ATOM 20523 N3 U B 955 73.233 28.150 38.645 1.00 0.00 N ATOM 20524 C4 U B 955 73.690 28.762 39.796 1.00 0.00 C ATOM 20525 O4 U B 955 73.993 28.092 40.785 1.00 0.00 O ATOM 20526 C5 U B 955 73.770 30.202 39.704 1.00 0.00 C ATOM 20527 C6 U B 955 73.418 30.838 38.574 1.00 0.00 C ATOM 20528 P G B 956 68.450 33.413 37.467 1.00 0.00 P ATOM 20529 O1P G B 956 67.288 34.194 36.973 1.00 0.00 O ATOM 20530 O2P G B 956 69.232 34.042 38.557 1.00 0.00 O ATOM 20531 O5* G B 956 68.003 31.700 37.856 1.00 0.00 O ATOM 20532 C5* G B 956 67.475 30.450 38.284 1.00 0.00 C ATOM 20533 C4* G B 956 68.005 29.973 39.731 1.00 0.00 C ATOM 20534 O4* G B 956 69.391 29.589 39.958 1.00 0.00 O ATOM 20535 C3* G B 956 67.535 30.483 41.095 1.00 0.00 C ATOM 20536 O3* G B 956 66.151 31.006 41.373 1.00 0.00 O ATOM 20537 C2* G B 956 68.274 29.550 42.052 1.00 0.00 C ATOM 20538 O2* G B 956 67.653 28.274 42.091 1.00 0.00 O ATOM 20539 C1* G B 956 69.609 29.371 41.342 1.00 0.00 C ATOM 20540 N9 G B 956 70.849 30.441 41.868 1.00 0.00 N ATOM 20541 C8 G B 956 71.205 31.673 41.369 1.00 0.00 C ATOM 20542 N7 G B 956 72.212 32.236 42.000 1.00 0.00 N ATOM 20543 C5 G B 956 72.542 31.305 42.986 1.00 0.00 C ATOM 20544 C6 G B 956 73.550 31.348 43.982 1.00 0.00 C ATOM 20545 O6 G B 956 74.378 32.230 44.203 1.00 0.00 O ATOM 20546 N1 G B 956 73.535 30.194 44.777 1.00 0.00 N ATOM 20547 C2 G B 956 72.662 29.136 44.627 1.00 0.00 C ATOM 20548 N2 G B 956 72.810 28.124 45.488 1.00 0.00 N ATOM 20549 N3 G B 956 71.715 29.096 43.695 1.00 0.00 N ATOM 20550 C4 G B 956 71.715 30.209 42.914 1.00 0.00 C ATOM 20551 P C B 957 66.164 32.684 42.105 1.00 0.00 P ATOM 20552 O1P C B 957 64.780 33.200 42.143 1.00 0.00 O ATOM 20553 O2P C B 957 67.174 33.599 41.520 1.00 0.00 O ATOM 20554 O5* C B 957 66.757 32.079 43.717 1.00 0.00 O ATOM 20555 C5* C B 957 66.231 31.998 45.042 1.00 0.00 C ATOM 20556 C4* C B 957 64.886 31.108 45.095 1.00 0.00 C ATOM 20557 O4* C B 957 63.765 31.410 44.212 1.00 0.00 O ATOM 20558 C3* C B 957 64.833 29.586 45.248 1.00 0.00 C ATOM 20559 O3* C B 957 65.663 29.085 46.438 1.00 0.00 O ATOM 20560 C2* C B 957 63.328 29.316 45.249 1.00 0.00 C ATOM 20561 O2* C B 957 62.758 29.662 46.502 1.00 0.00 O ATOM 20562 C1* C B 957 62.831 30.343 44.238 1.00 0.00 C ATOM 20563 N1 C B 957 62.651 29.749 42.652 1.00 0.00 N ATOM 20564 C2 C B 957 61.697 28.761 42.433 1.00 0.00 C ATOM 20565 O2 C B 957 61.032 28.351 43.396 1.00 0.00 O ATOM 20566 N3 C B 957 61.530 28.279 41.175 1.00 0.00 N ATOM 20567 C4 C B 957 62.267 28.748 40.164 1.00 0.00 C ATOM 20568 N4 C B 957 62.066 28.247 38.952 1.00 0.00 N ATOM 20569 C5 C B 957 63.255 29.770 40.361 1.00 0.00 C ATOM 20570 C6 C B 957 63.407 30.234 41.629 1.00 0.00 C ATOM 20571 P U B 958 67.354 28.557 46.003 1.00 0.00 P ATOM 20572 O1P U B 958 68.420 29.313 46.698 1.00 0.00 O ATOM 20573 O2P U B 958 67.506 28.429 44.536 1.00 0.00 O ATOM 20574 O5* U B 958 67.029 26.965 46.805 1.00 0.00 O ATOM 20575 C5* U B 958 67.288 26.168 47.959 1.00 0.00 C ATOM 20576 C4* U B 958 66.288 24.910 48.120 1.00 0.00 C ATOM 20577 O4* U B 958 64.923 25.136 48.576 1.00 0.00 O ATOM 20578 C3* U B 958 66.160 23.753 47.131 1.00 0.00 C ATOM 20579 O3* U B 958 67.445 23.023 46.743 1.00 0.00 O ATOM 20580 C2* U B 958 65.068 22.906 47.772 1.00 0.00 C ATOM 20581 O2* U B 958 65.579 22.170 48.873 1.00 0.00 O ATOM 20582 C1* U B 958 64.140 23.977 48.344 1.00 0.00 C ATOM 20583 N1 U B 958 62.856 24.396 47.347 1.00 0.00 N ATOM 20584 C2 U B 958 61.982 23.396 46.997 1.00 0.00 C ATOM 20585 O2 U B 958 62.120 22.237 47.359 1.00 0.00 O ATOM 20586 N3 U B 958 60.919 23.784 46.205 1.00 0.00 N ATOM 20587 C4 U B 958 60.666 25.059 45.743 1.00 0.00 C ATOM 20588 O4 U B 958 59.681 25.286 45.036 1.00 0.00 O ATOM 20589 C5 U B 958 61.641 26.039 46.158 1.00 0.00 C ATOM 20590 C6 U B 958 62.683 25.687 46.929 1.00 0.00 C ATOM 20591 P A B 959 68.290 23.576 45.223 1.00 0.00 P ATOM 20592 O1P A B 959 69.710 23.882 45.505 1.00 0.00 O ATOM 20593 O2P A B 959 67.550 24.606 44.460 1.00 0.00 O ATOM 20594 O5* A B 959 68.068 21.925 44.500 1.00 0.00 O ATOM 20595 C5* A B 959 67.445 20.634 44.563 1.00 0.00 C ATOM 20596 C4* A B 959 66.343 20.386 43.396 1.00 0.00 C ATOM 20597 O4* A B 959 64.933 20.435 43.753 1.00 0.00 O ATOM 20598 C3* A B 959 66.407 21.101 42.042 1.00 0.00 C ATOM 20599 O3* A B 959 67.686 21.265 41.253 1.00 0.00 O ATOM 20600 C2* A B 959 65.094 20.662 41.392 1.00 0.00 C ATOM 20601 O2* A B 959 65.186 19.329 40.920 1.00 0.00 O ATOM 20602 C1* A B 959 64.147 20.647 42.588 1.00 0.00 C ATOM 20603 N9 A B 959 63.259 22.063 42.799 1.00 0.00 N ATOM 20604 C8 A B 959 63.372 23.001 43.798 1.00 0.00 C ATOM 20605 N7 A B 959 62.657 24.070 43.601 1.00 0.00 N ATOM 20606 C5 A B 959 62.026 23.832 42.390 1.00 0.00 C ATOM 20607 C6 A B 959 61.127 24.593 41.625 1.00 0.00 C ATOM 20608 N6 A B 959 60.687 25.808 41.992 1.00 0.00 N ATOM 20609 N1 A B 959 60.692 24.062 40.469 1.00 0.00 N ATOM 20610 C2 A B 959 61.132 22.855 40.113 1.00 0.00 C ATOM 20611 N3 A B 959 61.965 22.055 40.739 1.00 0.00 N ATOM 20612 C4 A B 959 62.386 22.614 41.893 1.00 0.00 C ATOM 20613 P A B 960 67.617 22.833 40.325 1.00 0.00 P ATOM 20614 O1P A B 960 68.796 23.022 39.453 1.00 0.00 O ATOM 20615 O2P A B 960 67.264 23.982 41.189 1.00 0.00 O ATOM 20616 O5* A B 960 66.172 22.186 39.433 1.00 0.00 O ATOM 20617 C5* A B 960 65.625 21.223 38.514 1.00 0.00 C ATOM 20618 C4* A B 960 66.119 21.558 36.987 1.00 0.00 C ATOM 20619 O4* A B 960 65.149 22.353 36.249 1.00 0.00 O ATOM 20620 C3* A B 960 67.431 22.318 36.805 1.00 0.00 C ATOM 20621 O3* A B 960 68.782 21.717 37.275 1.00 0.00 O ATOM 20622 C2* A B 960 67.301 22.838 35.373 1.00 0.00 C ATOM 20623 O2* A B 960 67.539 21.801 34.436 1.00 0.00 O ATOM 20624 C1* A B 960 65.817 23.174 35.303 1.00 0.00 C ATOM 20625 N9 A B 960 65.443 24.786 35.641 1.00 0.00 N ATOM 20626 C8 A B 960 65.090 25.347 36.847 1.00 0.00 C ATOM 20627 N7 A B 960 64.702 26.580 36.759 1.00 0.00 N ATOM 20628 C5 A B 960 64.798 26.869 35.405 1.00 0.00 C ATOM 20629 C6 A B 960 64.528 28.024 34.660 1.00 0.00 C ATOM 20630 N6 A B 960 64.077 29.164 35.204 1.00 0.00 N ATOM 20631 N1 A B 960 64.734 27.970 33.330 1.00 0.00 N ATOM 20632 C2 A B 960 65.176 26.834 32.797 1.00 0.00 C ATOM 20633 N3 A B 960 65.466 25.699 33.389 1.00 0.00 N ATOM 20634 C4 A B 960 65.251 25.780 34.718 1.00 0.00 C ATOM 20635 P C B 961 68.864 20.008 37.964 1.00 0.00 P ATOM 20636 O1P C B 961 69.486 19.092 36.982 1.00 0.00 O ATOM 20637 O2P C B 961 67.558 19.581 38.509 1.00 0.00 O ATOM 20638 O5* C B 961 70.048 20.323 39.342 1.00 0.00 O ATOM 20639 C5* C B 961 71.039 19.846 40.313 1.00 0.00 C ATOM 20640 C4* C B 961 70.765 18.407 41.029 1.00 0.00 C ATOM 20641 O4* C B 961 69.418 17.979 40.672 1.00 0.00 O ATOM 20642 C3* C B 961 71.582 17.113 40.990 1.00 0.00 C ATOM 20643 O3* C B 961 72.834 16.996 41.957 1.00 0.00 O ATOM 20644 C2* C B 961 70.581 16.087 41.515 1.00 0.00 C ATOM 20645 O2* C B 961 70.443 16.191 42.921 1.00 0.00 O ATOM 20646 C1* C B 961 69.278 16.589 40.900 1.00 0.00 C ATOM 20647 N1 C B 961 68.851 15.839 39.418 1.00 0.00 N ATOM 20648 C2 C B 961 68.472 14.502 39.456 1.00 0.00 C ATOM 20649 O2 C B 961 68.509 13.901 40.534 1.00 0.00 O ATOM 20650 N3 C B 961 68.069 13.907 38.304 1.00 0.00 N ATOM 20651 C4 C B 961 68.040 14.591 37.153 1.00 0.00 C ATOM 20652 N4 C B 961 67.641 13.964 36.058 1.00 0.00 N ATOM 20653 C5 C B 961 68.428 15.968 37.092 1.00 0.00 C ATOM 20654 C6 C B 961 68.827 16.548 38.254 1.00 0.00 C ATOM 20655 P G B 962 74.628 17.148 41.577 1.00 0.00 P ATOM 20656 O1P G B 962 75.410 15.908 41.381 1.00 0.00 O ATOM 20657 O2P G B 962 75.194 18.125 42.534 1.00 0.00 O ATOM 20658 O5* G B 962 74.374 17.858 40.166 1.00 0.00 O ATOM 20659 C5* G B 962 73.740 17.109 39.112 1.00 0.00 C ATOM 20660 C4* G B 962 73.489 18.007 37.917 1.00 0.00 C ATOM 20661 O4* G B 962 72.478 18.993 38.273 1.00 0.00 O ATOM 20662 C3* G B 962 74.677 18.850 37.454 1.00 0.00 C ATOM 20663 O3* G B 962 75.515 18.129 36.605 1.00 0.00 O ATOM 20664 C2* G B 962 73.989 20.017 36.753 1.00 0.00 C ATOM 20665 O2* G B 962 73.512 19.626 35.474 1.00 0.00 O ATOM 20666 C1* G B 962 72.764 20.227 37.635 1.00 0.00 C ATOM 20667 N9 G B 962 72.959 21.258 38.692 1.00 0.00 N ATOM 20668 C8 G B 962 73.139 21.089 40.049 1.00 0.00 C ATOM 20669 N7 G B 962 73.284 22.213 40.710 1.00 0.00 N ATOM 20670 C5 G B 962 73.193 23.195 39.722 1.00 0.00 C ATOM 20671 C6 G B 962 73.273 24.605 39.828 1.00 0.00 C ATOM 20672 O6 G B 962 73.444 25.295 40.828 1.00 0.00 O ATOM 20673 N1 G B 962 73.128 25.220 38.575 1.00 0.00 N ATOM 20674 C2 G B 962 72.931 24.559 37.380 1.00 0.00 C ATOM 20675 N2 G B 962 72.818 25.327 36.295 1.00 0.00 N ATOM 20676 N3 G B 962 72.857 23.233 37.284 1.00 0.00 N ATOM 20677 C4 G B 962 72.994 22.620 38.489 1.00 0.00 C ATOM 20678 P U B 963 77.121 18.423 36.652 1.00 0.00 P ATOM 20679 O1P U B 963 77.862 17.336 35.974 1.00 0.00 O ATOM 20680 O2P U B 963 77.528 18.708 38.045 1.00 0.00 O ATOM 20681 O5* U B 963 77.206 19.761 35.779 1.00 0.00 O ATOM 20682 C5* U B 963 76.767 19.731 34.408 1.00 0.00 C ATOM 20683 C4* U B 963 76.817 21.123 33.815 1.00 0.00 C ATOM 20684 O4* U B 963 75.807 21.949 34.464 1.00 0.00 O ATOM 20685 C3* U B 963 78.120 21.894 34.034 1.00 0.00 C ATOM 20686 O3* U B 963 79.077 21.565 33.076 1.00 0.00 O ATOM 20687 C2* U B 963 77.654 23.345 33.928 1.00 0.00 C ATOM 20688 O2* U B 963 77.435 23.705 32.574 1.00 0.00 O ATOM 20689 C1* U B 963 76.286 23.279 34.595 1.00 0.00 C ATOM 20690 N1 U B 963 76.311 23.616 36.047 1.00 0.00 N ATOM 20691 C2 U B 963 76.470 24.941 36.378 1.00 0.00 C ATOM 20692 O2 U B 963 76.589 25.823 35.544 1.00 0.00 O ATOM 20693 N3 U B 963 76.489 25.215 37.732 1.00 0.00 N ATOM 20694 C4 U B 963 76.365 24.299 38.756 1.00 0.00 C ATOM 20695 O4 U B 963 76.396 24.665 39.933 1.00 0.00 O ATOM 20696 C5 U B 963 76.203 22.936 38.309 1.00 0.00 C ATOM 20697 C6 U B 963 76.183 22.639 36.999 1.00 0.00 C ATOM 20698 P C B 964 80.649 21.554 33.510 1.00 0.00 P ATOM 20699 O1P C B 964 81.456 20.841 32.493 1.00 0.00 O ATOM 20700 O2P C B 964 80.775 21.055 34.897 1.00 0.00 O ATOM 20701 O5* C B 964 80.985 23.117 33.464 1.00 0.00 O ATOM 20702 C5* C B 964 80.839 23.826 32.221 1.00 0.00 C ATOM 20703 C4* C B 964 81.087 25.308 32.435 1.00 0.00 C ATOM 20704 O4* C B 964 80.010 25.851 33.254 1.00 0.00 O ATOM 20705 C3* C B 964 82.355 25.665 33.213 1.00 0.00 C ATOM 20706 O3* C B 964 83.469 25.707 32.381 1.00 0.00 O ATOM 20707 C2* C B 964 82.000 27.033 33.791 1.00 0.00 C ATOM 20708 O2* C B 964 82.086 28.037 32.794 1.00 0.00 O ATOM 20709 C1* C B 964 80.519 26.856 34.116 1.00 0.00 C ATOM 20710 N1 C B 964 80.261 26.432 35.520 1.00 0.00 N ATOM 20711 C2 C B 964 80.417 27.385 36.523 1.00 0.00 C ATOM 20712 O2 C B 964 80.759 28.529 36.210 1.00 0.00 O ATOM 20713 N3 C B 964 80.184 27.018 37.810 1.00 0.00 N ATOM 20714 C4 C B 964 79.815 25.765 38.107 1.00 0.00 C ATOM 20715 N4 C B 964 79.602 25.458 39.380 1.00 0.00 N ATOM 20716 C5 C B 964 79.651 24.770 37.090 1.00 0.00 C ATOM 20717 C6 C B 964 79.889 25.158 35.811 1.00 0.00 C ATOM 20718 P C B 965 84.917 25.246 32.981 1.00 0.00 P ATOM 20719 O1P C B 965 85.877 25.009 31.881 1.00 0.00 O ATOM 20720 O2P C B 965 84.724 24.117 33.921 1.00 0.00 O ATOM 20721 O5* C B 965 85.338 26.562 33.790 1.00 0.00 O ATOM 20722 C5* C B 965 85.490 27.800 33.078 1.00 0.00 C ATOM 20723 C4* C B 965 85.766 28.928 34.052 1.00 0.00 C ATOM 20724 O4* C B 965 84.574 29.158 34.856 1.00 0.00 O ATOM 20725 C3* C B 965 86.862 28.666 35.084 1.00 0.00 C ATOM 20726 O3* C B 965 88.127 28.941 34.570 1.00 0.00 O ATOM 20727 C2* C B 965 86.468 29.612 36.215 1.00 0.00 C ATOM 20728 O2* C B 965 86.814 30.946 35.898 1.00 0.00 O ATOM 20729 C1* C B 965 84.946 29.523 36.174 1.00 0.00 C ATOM 20730 N1 C B 965 84.378 28.513 37.109 1.00 0.00 N ATOM 20731 C2 C B 965 84.370 28.814 38.468 1.00 0.00 C ATOM 20732 O2 C B 965 84.831 29.900 38.838 1.00 0.00 O ATOM 20733 N3 C B 965 83.861 27.904 39.337 1.00 0.00 N ATOM 20734 C4 C B 965 83.370 26.739 38.893 1.00 0.00 C ATOM 20735 N4 C B 965 82.882 25.886 39.782 1.00 0.00 N ATOM 20736 C5 C B 965 83.367 26.408 37.501 1.00 0.00 C ATOM 20737 C6 C B 965 83.885 27.331 36.650 1.00 0.00 C ATOM 20738 P G B 966 89.391 28.032 35.066 1.00 0.00 P ATOM 20739 O1P G B 966 90.544 28.222 34.159 1.00 0.00 O ATOM 20740 O2P G B 966 88.946 26.634 35.258 1.00 0.00 O ATOM 20741 O5* G B 966 89.703 28.701 36.485 1.00 0.00 O ATOM 20742 C5* G B 966 90.067 30.092 36.535 1.00 0.00 C ATOM 20743 C4* G B 966 90.194 30.543 37.978 1.00 0.00 C ATOM 20744 O4* G B 966 88.874 30.526 38.593 1.00 0.00 O ATOM 20745 C3* G B 966 91.035 29.645 38.885 1.00 0.00 C ATOM 20746 O3* G B 966 92.391 29.941 38.782 1.00 0.00 O ATOM 20747 C2* G B 966 90.465 29.964 40.266 1.00 0.00 C ATOM 20748 O2* G B 966 90.941 31.215 40.730 1.00 0.00 O ATOM 20749 C1* G B 966 88.984 30.139 39.954 1.00 0.00 C ATOM 20750 N9 G B 966 88.180 28.896 40.144 1.00 0.00 N ATOM 20751 C8 G B 966 87.645 28.053 39.193 1.00 0.00 C ATOM 20752 N7 G B 966 86.987 27.037 39.694 1.00 0.00 N ATOM 20753 C5 G B 966 87.090 27.220 41.074 1.00 0.00 C ATOM 20754 C6 G B 966 86.577 26.442 42.142 1.00 0.00 C ATOM 20755 O6 G B 966 85.912 25.411 42.093 1.00 0.00 O ATOM 20756 N1 G B 966 86.918 26.990 43.385 1.00 0.00 N ATOM 20757 C2 G B 966 87.658 28.141 43.573 1.00 0.00 C ATOM 20758 N2 G B 966 87.876 28.497 44.842 1.00 0.00 N ATOM 20759 N3 G B 966 88.140 28.872 42.571 1.00 0.00 N ATOM 20760 C4 G B 966 87.817 28.353 41.356 1.00 0.00 C ATOM 20761 P U B 967 93.475 28.730 38.932 1.00 0.00 P ATOM 20762 O1P U B 967 94.800 29.162 38.437 1.00 0.00 O ATOM 20763 O2P U B 967 92.926 27.502 38.316 1.00 0.00 O ATOM 20764 O5* U B 967 93.520 28.562 40.522 1.00 0.00 O ATOM 20765 C5* U B 967 93.940 29.675 41.331 1.00 0.00 C ATOM 20766 C4* U B 967 93.787 29.340 42.799 1.00 0.00 C ATOM 20767 O4* U B 967 92.371 29.224 43.111 1.00 0.00 O ATOM 20768 C3* U B 967 94.372 27.997 43.239 1.00 0.00 C ATOM 20769 O3* U B 967 95.736 28.098 43.511 1.00 0.00 O ATOM 20770 C2* U B 967 93.548 27.681 44.483 1.00 0.00 C ATOM 20771 O2* U B 967 93.980 28.458 45.587 1.00 0.00 O ATOM 20772 C1* U B 967 92.173 28.207 44.082 1.00 0.00 C ATOM 20773 N1 U B 967 91.283 27.171 43.487 1.00 0.00 N ATOM 20774 C2 U B 967 90.740 26.245 44.346 1.00 0.00 C ATOM 20775 O2 U B 967 90.955 26.248 45.546 1.00 0.00 O ATOM 20776 N3 U B 967 89.921 25.301 43.760 1.00 0.00 N ATOM 20777 C4 U B 967 89.612 25.205 42.420 1.00 0.00 C ATOM 20778 O4 U B 967 88.864 24.313 42.012 1.00 0.00 O ATOM 20779 C5 U B 967 90.228 26.219 41.597 1.00 0.00 C ATOM 20780 C6 U B 967 91.030 27.149 42.141 1.00 0.00 C ATOM 20781 P C B 968 96.698 26.821 43.184 1.00 0.00 P ATOM 20782 O1P C B 968 98.118 27.232 43.187 1.00 0.00 O ATOM 20783 O2P C B 968 96.224 26.149 41.952 1.00 0.00 O ATOM 20784 O5* C B 968 96.401 25.891 44.453 1.00 0.00 O ATOM 20785 C5* C B 968 96.703 26.389 45.771 1.00 0.00 C ATOM 20786 C4* C B 968 96.232 25.404 46.819 1.00 0.00 C ATOM 20787 O4* C B 968 94.776 25.365 46.809 1.00 0.00 O ATOM 20788 C3* C B 968 96.639 23.948 46.597 1.00 0.00 C ATOM 20789 O3* C B 968 97.920 23.694 47.085 1.00 0.00 O ATOM 20790 C2* C B 968 95.557 23.190 47.364 1.00 0.00 C ATOM 20791 O2* C B 968 95.792 23.253 48.759 1.00 0.00 O ATOM 20792 C1* C B 968 94.326 24.049 47.082 1.00 0.00 C ATOM 20793 N1 C B 968 93.525 23.581 45.914 1.00 0.00 N ATOM 20794 C2 C B 968 92.752 22.436 46.074 1.00 0.00 C ATOM 20795 O2 C B 968 92.759 21.858 47.168 1.00 0.00 O ATOM 20796 N3 C B 968 92.017 21.994 45.024 1.00 0.00 N ATOM 20797 C4 C B 968 92.036 22.649 43.856 1.00 0.00 C ATOM 20798 N4 C B 968 91.298 22.178 42.858 1.00 0.00 N ATOM 20799 C5 C B 968 92.824 23.830 43.670 1.00 0.00 C ATOM 20800 C6 C B 968 93.555 24.255 44.732 1.00 0.00 C ATOM 20801 P G B 969 98.858 22.610 46.304 1.00 0.00 P ATOM 20802 O1P G B 969 100.267 22.750 46.735 1.00 0.00 O ATOM 20803 O2P G B 969 98.618 22.709 44.848 1.00 0.00 O ATOM 20804 O5* G B 969 98.256 21.236 46.862 1.00 0.00 O ATOM 20805 C5* G B 969 98.306 20.976 48.277 1.00 0.00 C ATOM 20806 C4* G B 969 97.573 19.688 48.594 1.00 0.00 C ATOM 20807 O4* G B 969 96.149 19.880 48.340 1.00 0.00 O ATOM 20808 C3* G B 969 97.942 18.483 47.723 1.00 0.00 C ATOM 20809 O3* G B 969 99.077 17.833 48.203 1.00 0.00 O ATOM 20810 C2* G B 969 96.683 17.621 47.822 1.00 0.00 C ATOM 20811 O2* G B 969 96.625 16.956 49.072 1.00 0.00 O ATOM 20812 C1* G B 969 95.585 18.681 47.832 1.00 0.00 C ATOM 20813 N9 G B 969 95.024 18.972 46.485 1.00 0.00 N ATOM 20814 C8 G B 969 95.219 20.071 45.679 1.00 0.00 C ATOM 20815 N7 G B 969 94.571 20.021 44.539 1.00 0.00 N ATOM 20816 C5 G B 969 93.897 18.800 44.595 1.00 0.00 C ATOM 20817 C6 G B 969 93.033 18.190 43.650 1.00 0.00 C ATOM 20818 O6 G B 969 92.678 18.606 42.552 1.00 0.00 O ATOM 20819 N1 G B 969 92.570 16.952 44.109 1.00 0.00 N ATOM 20820 C2 G B 969 92.896 16.374 45.322 1.00 0.00 C ATOM 20821 N2 G B 969 92.349 15.184 45.573 1.00 0.00 N ATOM 20822 N3 G B 969 93.707 16.949 46.207 1.00 0.00 N ATOM 20823 C4 G B 969 94.168 18.154 45.777 1.00 0.00 C ATOM 20824 P U B 970 100.097 17.145 47.134 1.00 0.00 P ATOM 20825 O1P U B 970 101.391 16.841 47.785 1.00 0.00 O ATOM 20826 O2P U B 970 100.169 17.979 45.913 1.00 0.00 O ATOM 20827 O5* U B 970 99.321 15.782 46.812 1.00 0.00 O ATOM 20828 C5* U B 970 99.058 14.857 47.886 1.00 0.00 C ATOM 20829 C4* U B 970 98.211 13.707 47.385 1.00 0.00 C ATOM 20830 O4* U B 970 96.884 14.209 47.053 1.00 0.00 O ATOM 20831 C3* U B 970 98.685 13.042 46.093 1.00 0.00 C ATOM 20832 O3* U B 970 99.659 12.078 46.342 1.00 0.00 O ATOM 20833 C2* U B 970 97.391 12.444 45.546 1.00 0.00 C ATOM 20834 O2* U B 970 97.040 11.268 46.257 1.00 0.00 O ATOM 20835 C1* U B 970 96.373 13.513 45.927 1.00 0.00 C ATOM 20836 N1 U B 970 96.119 14.510 44.848 1.00 0.00 N ATOM 20837 C2 U B 970 95.364 14.093 43.779 1.00 0.00 C ATOM 20838 O2 U B 970 94.909 12.966 43.688 1.00 0.00 O ATOM 20839 N3 U B 970 95.150 15.043 42.799 1.00 0.00 N ATOM 20840 C4 U B 970 95.614 16.342 42.799 1.00 0.00 C ATOM 20841 O4 U B 970 95.359 17.102 41.863 1.00 0.00 O ATOM 20842 C5 U B 970 96.399 16.685 43.963 1.00 0.00 C ATOM 20843 C6 U B 970 96.623 15.780 44.931 1.00 0.00 C ATOM 20844 P G B 971 100.843 11.854 45.239 1.00 0.00 P ATOM 20845 O1P G B 971 101.956 11.081 45.835 1.00 0.00 O ATOM 20846 O2P G B 971 101.213 13.158 44.642 1.00 0.00 O ATOM 20847 O5* G B 971 100.079 10.958 44.156 1.00 0.00 O ATOM 20848 C5* G B 971 99.552 9.681 44.553 1.00 0.00 C ATOM 20849 C4* G B 971 98.767 9.066 43.415 1.00 0.00 C ATOM 20850 O4* G B 971 97.567 9.859 43.188 1.00 0.00 O ATOM 20851 C3* G B 971 99.463 9.056 42.054 1.00 0.00 C ATOM 20852 O3* G B 971 100.310 7.957 41.921 1.00 0.00 O ATOM 20853 C2* G B 971 98.280 9.004 41.089 1.00 0.00 C ATOM 20854 O2* G B 971 97.727 7.700 41.039 1.00 0.00 O ATOM 20855 C1* G B 971 97.264 9.890 41.801 1.00 0.00 C ATOM 20856 N9 G B 971 97.293 11.310 41.354 1.00 0.00 N ATOM 20857 C8 G B 971 97.790 12.418 42.006 1.00 0.00 C ATOM 20858 N7 G B 971 97.660 13.538 41.336 1.00 0.00 N ATOM 20859 C5 G B 971 97.032 13.144 40.155 1.00 0.00 C ATOM 20860 C6 G B 971 96.629 13.912 39.034 1.00 0.00 C ATOM 20861 O6 G B 971 96.746 15.122 38.846 1.00 0.00 O ATOM 20862 N1 G B 971 96.028 13.112 38.052 1.00 0.00 N ATOM 20863 C2 G B 971 95.842 11.746 38.143 1.00 0.00 C ATOM 20864 N2 G B 971 95.249 11.164 37.098 1.00 0.00 N ATOM 20865 N3 G B 971 96.219 11.025 39.195 1.00 0.00 N ATOM 20866 C4 G B 971 96.804 11.787 40.158 1.00 0.00 C ATOM 20867 P A B 972 99.332 6.171 41.983 1.00 0.00 P ATOM 20868 O1P A B 972 99.943 5.473 43.132 1.00 0.00 O ATOM 20869 O2P A B 972 99.651 5.612 40.648 1.00 0.00 O ATOM 20870 O5* A B 972 97.349 5.750 42.090 1.00 0.00 O ATOM 20871 C5* A B 972 96.003 4.755 41.724 1.00 0.00 C ATOM 20872 C4* A B 972 94.227 4.391 42.174 1.00 0.00 C ATOM 20873 O4* A B 972 94.018 5.600 42.961 1.00 0.00 O ATOM 20874 C3* A B 972 93.017 4.337 41.247 1.00 0.00 C ATOM 20875 O3* A B 972 92.141 3.674 40.043 1.00 0.00 O ATOM 20876 C2* A B 972 91.902 4.886 42.145 1.00 0.00 C ATOM 20877 O2* A B 972 91.481 3.906 43.080 1.00 0.00 O ATOM 20878 C1* A B 972 92.647 5.962 42.933 1.00 0.00 C ATOM 20879 N9 A B 972 92.533 7.418 42.325 1.00 0.00 N ATOM 20880 C8 A B 972 91.397 8.174 42.133 1.00 0.00 C ATOM 20881 N7 A B 972 91.585 9.230 41.404 1.00 0.00 N ATOM 20882 C5 A B 972 92.934 9.180 41.080 1.00 0.00 C ATOM 20883 C6 A B 972 93.757 10.025 40.321 1.00 0.00 C ATOM 20884 N6 A B 972 93.317 11.139 39.717 1.00 0.00 N ATOM 20885 N1 A B 972 95.052 9.682 40.198 1.00 0.00 N ATOM 20886 C2 A B 972 95.483 8.578 40.805 1.00 0.00 C ATOM 20887 N3 A B 972 94.811 7.713 41.535 1.00 0.00 N ATOM 20888 C4 A B 972 93.520 8.080 41.641 1.00 0.00 C ATOM 20889 P A B 973 91.282 4.778 38.700 1.00 0.00 P ATOM 20890 O1P A B 973 91.825 4.238 37.432 1.00 0.00 O ATOM 20891 O2P A B 973 91.621 6.188 38.990 1.00 0.00 O ATOM 20892 O5* A B 973 89.382 4.705 38.425 1.00 0.00 O ATOM 20893 C5* A B 973 88.079 4.575 37.584 1.00 0.00 C ATOM 20894 C4* A B 973 87.207 5.652 36.556 1.00 0.00 C ATOM 20895 O4* A B 973 88.174 6.160 35.597 1.00 0.00 O ATOM 20896 C3* A B 973 85.948 5.410 35.719 1.00 0.00 C ATOM 20897 O3* A B 973 84.510 5.127 36.294 1.00 0.00 O ATOM 20898 C2* A B 973 86.003 6.562 34.722 1.00 0.00 C ATOM 20899 O2* A B 973 85.603 7.779 35.335 1.00 0.00 O ATOM 20900 C1* A B 973 87.502 6.671 34.459 1.00 0.00 C ATOM 20901 N9 A B 973 88.039 5.830 33.105 1.00 0.00 N ATOM 20902 C8 A B 973 87.532 5.857 31.822 1.00 0.00 C ATOM 20903 N7 A B 973 88.236 5.175 30.971 1.00 0.00 N ATOM 20904 C5 A B 973 89.277 4.659 31.725 1.00 0.00 C ATOM 20905 C6 A B 973 90.375 3.845 31.394 1.00 0.00 C ATOM 20906 N6 A B 973 90.609 3.384 30.160 1.00 0.00 N ATOM 20907 N1 A B 973 91.224 3.520 32.393 1.00 0.00 N ATOM 20908 C2 A B 973 90.980 3.982 33.618 1.00 0.00 C ATOM 20909 N3 A B 973 89.995 4.743 34.039 1.00 0.00 N ATOM 20910 C4 A B 973 89.165 5.056 33.030 1.00 0.00 C ATOM 20911 P G B 974 83.066 6.307 36.176 1.00 0.00 P ATOM 20912 O1P G B 974 83.168 7.253 35.040 1.00 0.00 O ATOM 20913 O2P G B 974 82.886 6.923 37.508 1.00 0.00 O ATOM 20914 O5* G B 974 81.662 5.150 35.814 1.00 0.00 O ATOM 20915 C5* G B 974 80.231 4.849 35.999 1.00 0.00 C ATOM 20916 C4* G B 974 79.348 4.638 34.620 1.00 0.00 C ATOM 20917 O4* G B 974 80.056 4.556 33.353 1.00 0.00 O ATOM 20918 C3* G B 974 77.921 5.024 34.218 1.00 0.00 C ATOM 20919 O3* G B 974 76.513 4.632 34.773 1.00 0.00 O ATOM 20920 C2* G B 974 78.165 5.955 33.036 1.00 0.00 C ATOM 20921 O2* G B 974 78.594 7.231 33.479 1.00 0.00 O ATOM 20922 C1* G B 974 79.360 5.292 32.360 1.00 0.00 C ATOM 20923 N9 G B 974 78.954 4.219 31.074 1.00 0.00 N ATOM 20924 C8 G B 974 79.525 3.014 30.736 1.00 0.00 C ATOM 20925 N7 G B 974 78.978 2.438 29.691 1.00 0.00 N ATOM 20926 C5 G B 974 77.976 3.328 29.312 1.00 0.00 C ATOM 20927 C6 G B 974 77.041 3.253 28.247 1.00 0.00 C ATOM 20928 O6 G B 974 76.905 2.369 27.403 1.00 0.00 O ATOM 20929 N1 G B 974 76.197 4.371 28.224 1.00 0.00 N ATOM 20930 C2 G B 974 76.250 5.427 29.113 1.00 0.00 C ATOM 20931 N2 G B 974 75.357 6.399 28.919 1.00 0.00 N ATOM 20932 N3 G B 974 77.123 5.495 30.115 1.00 0.00 N ATOM 20933 C4 G B 974 77.951 4.420 30.152 1.00 0.00 C ATOM 20934 P A B 975 75.419 3.550 33.714 1.00 0.00 P ATOM 20935 O1P A B 975 75.595 2.144 34.136 1.00 0.00 O ATOM 20936 O2P A B 975 75.661 3.834 32.284 1.00 0.00 O ATOM 20937 O5* A B 975 73.696 4.119 34.122 1.00 0.00 O ATOM 20938 C5* A B 975 72.229 4.277 34.267 1.00 0.00 C ATOM 20939 C4* A B 975 71.072 3.649 33.146 1.00 0.00 C ATOM 20940 O4* A B 975 71.727 2.997 32.015 1.00 0.00 O ATOM 20941 C3* A B 975 69.951 4.463 32.502 1.00 0.00 C ATOM 20942 O3* A B 975 68.346 4.226 32.715 1.00 0.00 O ATOM 20943 C2* A B 975 70.600 4.922 31.195 1.00 0.00 C ATOM 20944 O2* A B 975 71.506 5.981 31.431 1.00 0.00 O ATOM 20945 C1* A B 975 71.431 3.697 30.817 1.00 0.00 C ATOM 20946 N9 A B 975 70.679 2.644 29.768 1.00 0.00 N ATOM 20947 C8 A B 975 69.333 2.521 29.498 1.00 0.00 C ATOM 20948 N7 A B 975 69.044 1.509 28.738 1.00 0.00 N ATOM 20949 C5 A B 975 70.270 0.915 28.485 1.00 0.00 C ATOM 20950 C6 A B 975 70.640 -0.214 27.734 1.00 0.00 C ATOM 20951 N6 A B 975 69.763 -0.981 27.072 1.00 0.00 N ATOM 20952 N1 A B 975 71.950 -0.526 27.689 1.00 0.00 N ATOM 20953 C2 A B 975 72.816 0.239 28.353 1.00 0.00 C ATOM 20954 N3 A B 975 72.590 1.309 29.082 1.00 0.00 N ATOM 20955 C4 A B 975 71.271 1.601 29.109 1.00 0.00 C ATOM 20956 P G B 976 66.738 4.639 31.818 1.00 0.00 P ATOM 20957 O1P G B 976 66.612 3.860 30.567 1.00 0.00 O ATOM 20958 O2P G B 976 66.390 6.074 31.719 1.00 0.00 O ATOM 20959 O5* G B 976 65.876 3.953 32.976 1.00 0.00 O ATOM 20960 C5* G B 976 66.249 2.645 33.442 1.00 0.00 C ATOM 20961 C4* G B 976 65.381 2.245 34.618 1.00 0.00 C ATOM 20962 O4* G B 976 65.695 3.103 35.750 1.00 0.00 O ATOM 20963 C3* G B 976 63.873 2.427 34.422 1.00 0.00 C ATOM 20964 O3* G B 976 63.308 1.340 33.765 1.00 0.00 O ATOM 20965 C2* G B 976 63.382 2.570 35.861 1.00 0.00 C ATOM 20966 O2* G B 976 63.346 1.309 36.509 1.00 0.00 O ATOM 20967 C1* G B 976 64.518 3.363 36.500 1.00 0.00 C ATOM 20968 N9 G B 976 64.292 4.837 36.503 1.00 0.00 N ATOM 20969 C8 G B 976 64.877 5.810 35.722 1.00 0.00 C ATOM 20970 N7 G B 976 64.453 7.025 35.976 1.00 0.00 N ATOM 20971 C5 G B 976 63.521 6.843 36.996 1.00 0.00 C ATOM 20972 C6 G B 976 62.726 7.795 37.687 1.00 0.00 C ATOM 20973 O6 G B 976 62.679 9.013 37.539 1.00 0.00 O ATOM 20974 N1 G B 976 61.912 7.177 38.649 1.00 0.00 N ATOM 20975 C2 G B 976 61.871 5.821 38.909 1.00 0.00 C ATOM 20976 N2 G B 976 61.029 5.433 39.870 1.00 0.00 N ATOM 20977 N3 G B 976 62.618 4.931 38.262 1.00 0.00 N ATOM 20978 C4 G B 976 63.414 5.513 37.323 1.00 0.00 C ATOM 20979 P G B 977 62.049 1.599 32.758 1.00 0.00 P ATOM 20980 O1P G B 977 61.832 0.417 31.894 1.00 0.00 O ATOM 20981 O2P G B 977 62.244 2.885 32.052 1.00 0.00 O ATOM 20982 O5* G B 977 60.846 1.733 33.802 1.00 0.00 O ATOM 20983 C5* G B 977 60.544 0.620 34.663 1.00 0.00 C ATOM 20984 C4* G B 977 59.461 1.009 35.651 1.00 0.00 C ATOM 20985 O4* G B 977 59.998 1.999 36.575 1.00 0.00 O ATOM 20986 C3* G B 977 58.229 1.688 35.057 1.00 0.00 C ATOM 20987 O3* G B 977 57.312 0.755 34.578 1.00 0.00 O ATOM 20988 C2* G B 977 57.695 2.482 36.248 1.00 0.00 C ATOM 20989 O2* G B 977 57.028 1.627 37.163 1.00 0.00 O ATOM 20990 C1* G B 977 58.987 2.932 36.923 1.00 0.00 C ATOM 20991 N9 G B 977 59.443 4.284 36.497 1.00 0.00 N ATOM 20992 C8 G B 977 60.486 4.630 35.666 1.00 0.00 C ATOM 20993 N7 G B 977 60.622 5.924 35.493 1.00 0.00 N ATOM 20994 C5 G B 977 59.600 6.472 36.266 1.00 0.00 C ATOM 20995 C6 G B 977 59.242 7.829 36.478 1.00 0.00 C ATOM 20996 O6 G B 977 59.762 8.843 36.021 1.00 0.00 O ATOM 20997 N1 G B 977 58.139 7.937 37.337 1.00 0.00 N ATOM 20998 C2 G B 977 57.469 6.876 37.912 1.00 0.00 C ATOM 20999 N2 G B 977 56.440 7.191 38.703 1.00 0.00 N ATOM 21000 N3 G B 977 57.805 5.605 37.712 1.00 0.00 N ATOM 21001 C4 G B 977 58.875 5.480 36.881 1.00 0.00 C ATOM 21002 P G B 978 56.423 1.133 33.262 1.00 0.00 P ATOM 21003 O1P G B 978 55.800 -0.086 32.697 1.00 0.00 O ATOM 21004 O2P G B 978 57.248 1.927 32.321 1.00 0.00 O ATOM 21005 O5* G B 978 55.299 2.066 33.913 1.00 0.00 O ATOM 21006 C5* G B 978 54.437 1.515 34.926 1.00 0.00 C ATOM 21007 C4* G B 978 53.541 2.599 35.489 1.00 0.00 C ATOM 21008 O4* G B 978 54.357 3.549 36.234 1.00 0.00 O ATOM 21009 C3* G B 978 52.816 3.465 34.458 1.00 0.00 C ATOM 21010 O3* G B 978 51.639 2.865 34.022 1.00 0.00 O ATOM 21011 C2* G B 978 52.564 4.750 35.243 1.00 0.00 C ATOM 21012 O2* G B 978 51.489 4.583 36.153 1.00 0.00 O ATOM 21013 C1* G B 978 53.837 4.857 36.077 1.00 0.00 C ATOM 21014 N9 G B 978 54.893 5.700 35.449 1.00 0.00 N ATOM 21015 C8 G B 978 56.066 5.313 34.835 1.00 0.00 C ATOM 21016 N7 G B 978 56.783 6.312 34.382 1.00 0.00 N ATOM 21017 C5 G B 978 56.035 7.440 34.718 1.00 0.00 C ATOM 21018 C6 G B 978 56.299 8.814 34.487 1.00 0.00 C ATOM 21019 O6 G B 978 57.267 9.330 33.931 1.00 0.00 O ATOM 21020 N1 G B 978 55.275 9.623 34.994 1.00 0.00 N ATOM 21021 C2 G B 978 54.142 9.166 35.638 1.00 0.00 C ATOM 21022 N2 G B 978 53.281 10.102 36.046 1.00 0.00 N ATOM 21023 N3 G B 978 53.894 7.877 35.852 1.00 0.00 N ATOM 21024 C4 G B 978 54.880 7.078 35.369 1.00 0.00 C ATOM 21025 P A B 979 51.840 1.289 33.116 1.00 0.00 P ATOM 21026 O1P A B 979 50.641 0.944 32.320 1.00 0.00 O ATOM 21027 O2P A B 979 52.397 0.202 33.950 1.00 0.00 O ATOM 21028 O5* A B 979 53.101 2.160 32.138 1.00 0.00 O ATOM 21029 C5* A B 979 52.623 3.485 31.783 1.00 0.00 C ATOM 21030 C4* A B 979 53.621 4.438 30.975 1.00 0.00 C ATOM 21031 O4* A B 979 54.556 5.293 31.698 1.00 0.00 O ATOM 21032 C3* A B 979 54.343 4.132 29.663 1.00 0.00 C ATOM 21033 O3* A B 979 53.583 3.509 28.492 1.00 0.00 O ATOM 21034 C2* A B 979 55.067 5.446 29.382 1.00 0.00 C ATOM 21035 O2* A B 979 54.162 6.424 28.891 1.00 0.00 O ATOM 21036 C1* A B 979 55.467 5.881 30.788 1.00 0.00 C ATOM 21037 N9 A B 979 57.031 5.439 31.242 1.00 0.00 N ATOM 21038 C8 A B 979 57.455 4.259 31.814 1.00 0.00 C ATOM 21039 N7 A B 979 58.696 4.279 32.200 1.00 0.00 N ATOM 21040 C5 A B 979 59.131 5.554 31.869 1.00 0.00 C ATOM 21041 C6 A B 979 60.366 6.200 32.022 1.00 0.00 C ATOM 21042 N6 A B 979 61.439 5.621 32.576 1.00 0.00 N ATOM 21043 N1 A B 979 60.458 7.468 31.584 1.00 0.00 N ATOM 21044 C2 A B 979 59.388 8.040 31.032 1.00 0.00 C ATOM 21045 N3 A B 979 58.190 7.538 30.839 1.00 0.00 N ATOM 21046 C4 A B 979 58.123 6.266 31.288 1.00 0.00 C ATOM 21047 P A B 980 52.740 1.901 28.738 1.00 0.00 P ATOM 21048 O1P A B 980 51.865 1.587 27.582 1.00 0.00 O ATOM 21049 O2P A B 980 52.102 1.809 30.068 1.00 0.00 O ATOM 21050 O5* A B 980 54.283 0.926 28.621 1.00 0.00 O ATOM 21051 C5* A B 980 54.915 -0.038 27.733 1.00 0.00 C ATOM 21052 C4* A B 980 54.836 0.406 26.150 1.00 0.00 C ATOM 21053 O4* A B 980 53.479 0.430 25.612 1.00 0.00 O ATOM 21054 C3* A B 980 55.413 1.764 25.754 1.00 0.00 C ATOM 21055 O3* A B 980 56.904 2.025 25.956 1.00 0.00 O ATOM 21056 C2* A B 980 54.778 1.993 24.384 1.00 0.00 C ATOM 21057 O2* A B 980 55.422 1.209 23.394 1.00 0.00 O ATOM 21058 C1* A B 980 53.388 1.400 24.585 1.00 0.00 C ATOM 21059 N9 A B 980 52.204 2.518 25.017 1.00 0.00 N ATOM 21060 C8 A B 980 50.842 2.330 25.104 1.00 0.00 C ATOM 21061 N7 A B 980 50.208 3.329 25.637 1.00 0.00 N ATOM 21062 C5 A B 980 51.204 4.245 25.926 1.00 0.00 C ATOM 21063 C6 A B 980 51.181 5.522 26.512 1.00 0.00 C ATOM 21064 N6 A B 980 50.055 6.121 26.926 1.00 0.00 N ATOM 21065 N1 A B 980 52.354 6.165 26.653 1.00 0.00 N ATOM 21066 C2 A B 980 53.467 5.562 26.241 1.00 0.00 C ATOM 21067 N3 A B 980 53.613 4.380 25.684 1.00 0.00 N ATOM 21068 C4 A B 980 52.425 3.760 25.553 1.00 0.00 C ATOM 21069 P A B 981 57.385 2.708 27.583 1.00 0.00 P ATOM 21070 O1P A B 981 56.951 1.850 28.708 1.00 0.00 O ATOM 21071 O2P A B 981 57.067 4.148 27.707 1.00 0.00 O ATOM 21072 O5* A B 981 59.138 2.430 27.197 1.00 0.00 O ATOM 21073 C5* A B 981 60.384 3.104 27.066 1.00 0.00 C ATOM 21074 C4* A B 981 60.374 4.208 25.892 1.00 0.00 C ATOM 21075 O4* A B 981 59.611 4.031 24.663 1.00 0.00 O ATOM 21076 C3* A B 981 60.313 5.717 26.146 1.00 0.00 C ATOM 21077 O3* A B 981 61.293 6.255 27.174 1.00 0.00 O ATOM 21078 C2* A B 981 60.372 6.281 24.731 1.00 0.00 C ATOM 21079 O2* A B 981 61.691 6.216 24.214 1.00 0.00 O ATOM 21080 C1* A B 981 59.543 5.261 23.956 1.00 0.00 C ATOM 21081 N9 A B 981 57.920 5.674 23.762 1.00 0.00 N ATOM 21082 C8 A B 981 56.879 5.488 24.641 1.00 0.00 C ATOM 21083 N7 A B 981 55.764 6.036 24.262 1.00 0.00 N ATOM 21084 C5 A B 981 56.080 6.629 23.049 1.00 0.00 C ATOM 21085 C6 A B 981 55.318 7.377 22.134 1.00 0.00 C ATOM 21086 N6 A B 981 54.022 7.668 22.315 1.00 0.00 N ATOM 21087 N1 A B 981 55.940 7.820 21.025 1.00 0.00 N ATOM 21088 C2 A B 981 57.232 7.529 20.854 1.00 0.00 C ATOM 21089 N3 A B 981 58.038 6.845 21.634 1.00 0.00 N ATOM 21090 C4 A B 981 57.390 6.417 22.738 1.00 0.00 C ATOM 21091 P C B 982 60.616 7.805 27.799 1.00 0.00 P ATOM 21092 O1P C B 982 61.495 8.503 28.759 1.00 0.00 O ATOM 21093 O2P C B 982 59.198 7.673 28.205 1.00 0.00 O ATOM 21094 O5* C B 982 60.752 8.551 26.148 1.00 0.00 O ATOM 21095 C5* C B 982 60.481 9.115 24.879 1.00 0.00 C ATOM 21096 C4* C B 982 59.053 9.838 24.756 1.00 0.00 C ATOM 21097 O4* C B 982 57.869 9.177 24.219 1.00 0.00 O ATOM 21098 C3* C B 982 58.479 11.028 25.533 1.00 0.00 C ATOM 21099 O3* C B 982 58.229 10.916 27.111 1.00 0.00 O ATOM 21100 C2* C B 982 57.293 11.437 24.664 1.00 0.00 C ATOM 21101 O2* C B 982 57.728 12.140 23.514 1.00 0.00 O ATOM 21102 C1* C B 982 56.780 10.084 24.189 1.00 0.00 C ATOM 21103 N1 C B 982 55.510 9.432 25.132 1.00 0.00 N ATOM 21104 C2 C B 982 54.216 9.504 24.618 1.00 0.00 C ATOM 21105 O2 C B 982 54.050 9.960 23.484 1.00 0.00 O ATOM 21106 N3 C B 982 53.187 9.060 25.388 1.00 0.00 N ATOM 21107 C4 C B 982 53.410 8.570 26.610 1.00 0.00 C ATOM 21108 N4 C B 982 52.373 8.150 27.317 1.00 0.00 N ATOM 21109 C5 C B 982 54.732 8.489 27.159 1.00 0.00 C ATOM 21110 C6 C B 982 55.745 8.934 26.374 1.00 0.00 C ATOM 21111 P A B 983 59.232 11.883 28.287 1.00 0.00 P ATOM 21112 O1P A B 983 60.671 11.523 28.270 1.00 0.00 O ATOM 21113 O2P A B 983 58.576 11.847 29.615 1.00 0.00 O ATOM 21114 O5* A B 983 58.942 13.399 27.310 1.00 0.00 O ATOM 21115 C5* A B 983 58.530 14.126 26.099 1.00 0.00 C ATOM 21116 C4* A B 983 56.948 14.611 26.165 1.00 0.00 C ATOM 21117 O4* A B 983 55.923 13.635 25.822 1.00 0.00 O ATOM 21118 C3* A B 983 56.449 15.226 27.473 1.00 0.00 C ATOM 21119 O3* A B 983 57.304 16.529 27.789 1.00 0.00 O ATOM 21120 C2* A B 983 54.935 15.250 27.259 1.00 0.00 C ATOM 21121 O2* A B 983 54.567 16.306 26.392 1.00 0.00 O ATOM 21122 C1* A B 983 54.712 13.950 26.491 1.00 0.00 C ATOM 21123 N9 A B 983 54.283 12.645 27.442 1.00 0.00 N ATOM 21124 C8 A B 983 55.081 11.625 27.905 1.00 0.00 C ATOM 21125 N7 A B 983 54.428 10.657 28.473 1.00 0.00 N ATOM 21126 C5 A B 983 53.102 11.051 28.381 1.00 0.00 C ATOM 21127 C6 A B 983 51.904 10.451 28.802 1.00 0.00 C ATOM 21128 N6 A B 983 51.853 9.263 29.429 1.00 0.00 N ATOM 21129 N1 A B 983 50.760 11.114 28.557 1.00 0.00 N ATOM 21130 C2 A B 983 50.819 12.289 27.936 1.00 0.00 C ATOM 21131 N3 A B 983 51.872 12.942 27.499 1.00 0.00 N ATOM 21132 C4 A B 983 53.005 12.261 27.760 1.00 0.00 C ATOM 21133 P A B 984 58.666 16.638 29.035 1.00 0.00 P ATOM 21134 O1P A B 984 60.060 16.535 28.557 1.00 0.00 O ATOM 21135 O2P A B 984 58.318 15.787 30.196 1.00 0.00 O ATOM 21136 O5* A B 984 58.384 18.435 29.286 1.00 0.00 O ATOM 21137 C5* A B 984 57.439 19.132 30.095 1.00 0.00 C ATOM 21138 C4* A B 984 56.359 18.136 30.765 1.00 0.00 C ATOM 21139 O4* A B 984 55.724 17.043 30.038 1.00 0.00 O ATOM 21140 C3* A B 984 56.348 17.661 32.218 1.00 0.00 C ATOM 21141 O3* A B 984 56.543 19.020 33.020 1.00 0.00 O ATOM 21142 C2* A B 984 55.020 16.911 32.303 1.00 0.00 C ATOM 21143 O2* A B 984 53.935 17.821 32.381 1.00 0.00 O ATOM 21144 C1* A B 984 54.949 16.259 30.927 1.00 0.00 C ATOM 21145 N9 A B 984 55.516 14.680 30.870 1.00 0.00 N ATOM 21146 C8 A B 984 56.763 14.234 30.502 1.00 0.00 C ATOM 21147 N7 A B 984 56.852 12.947 30.406 1.00 0.00 N ATOM 21148 C5 A B 984 55.579 12.495 30.729 1.00 0.00 C ATOM 21149 C6 A B 984 55.020 11.208 30.809 1.00 0.00 C ATOM 21150 N6 A B 984 55.710 10.086 30.553 1.00 0.00 N ATOM 21151 N1 A B 984 53.726 11.117 31.158 1.00 0.00 N ATOM 21152 C2 A B 984 53.048 12.235 31.411 1.00 0.00 C ATOM 21153 N3 A B 984 53.459 13.484 31.369 1.00 0.00 N ATOM 21154 C4 A B 984 54.760 13.545 31.016 1.00 0.00 C ATOM 21155 P C B 985 57.818 19.068 34.302 1.00 0.00 P ATOM 21156 O1P C B 985 58.181 20.298 35.046 1.00 0.00 O ATOM 21157 O2P C B 985 58.949 18.200 33.904 1.00 0.00 O ATOM 21158 O5* C B 985 56.754 18.222 35.144 1.00 0.00 O ATOM 21159 C5* C B 985 55.528 18.850 35.558 1.00 0.00 C ATOM 21160 C4* C B 985 54.626 17.835 36.228 1.00 0.00 C ATOM 21161 O4* C B 985 54.179 16.871 35.229 1.00 0.00 O ATOM 21162 C3* C B 985 55.276 16.970 37.309 1.00 0.00 C ATOM 21163 O3* C B 985 55.289 17.616 38.542 1.00 0.00 O ATOM 21164 C2* C B 985 54.388 15.727 37.302 1.00 0.00 C ATOM 21165 O2* C B 985 53.160 15.984 37.964 1.00 0.00 O ATOM 21166 C1* C B 985 54.068 15.585 35.817 1.00 0.00 C ATOM 21167 N1 C B 985 54.991 14.666 35.093 1.00 0.00 N ATOM 21168 C2 C B 985 54.845 13.299 35.303 1.00 0.00 C ATOM 21169 O2 C B 985 53.964 12.905 36.077 1.00 0.00 O ATOM 21170 N3 C B 985 55.676 12.445 34.653 1.00 0.00 N ATOM 21171 C4 C B 985 56.618 12.911 33.822 1.00 0.00 C ATOM 21172 N4 C B 985 57.404 12.038 33.212 1.00 0.00 N ATOM 21173 C5 C B 985 56.784 14.313 33.590 1.00 0.00 C ATOM 21174 C6 C B 985 55.944 15.150 34.251 1.00 0.00 C ATOM 21175 P C B 986 56.545 17.354 39.552 1.00 0.00 P ATOM 21176 O1P C B 986 56.568 18.382 40.617 1.00 0.00 O ATOM 21177 O2P C B 986 57.789 17.216 38.765 1.00 0.00 O ATOM 21178 O5* C B 986 56.135 15.939 40.176 1.00 0.00 O ATOM 21179 C5* C B 986 54.902 15.828 40.910 1.00 0.00 C ATOM 21180 C4* C B 986 54.658 14.383 41.298 1.00 0.00 C ATOM 21181 O4* C B 986 54.394 13.608 40.091 1.00 0.00 O ATOM 21182 C3* C B 986 55.838 13.660 41.948 1.00 0.00 C ATOM 21183 O3* C B 986 55.898 13.908 43.318 1.00 0.00 O ATOM 21184 C2* C B 986 55.532 12.198 41.629 1.00 0.00 C ATOM 21185 O2* C B 986 54.506 11.703 42.471 1.00 0.00 O ATOM 21186 C1* C B 986 54.942 12.308 40.227 1.00 0.00 C ATOM 21187 N1 C B 986 55.943 12.115 39.139 1.00 0.00 N ATOM 21188 C2 C B 986 56.400 10.821 38.900 1.00 0.00 C ATOM 21189 O2 C B 986 55.959 9.895 39.591 1.00 0.00 O ATOM 21190 N3 C B 986 57.312 10.625 37.913 1.00 0.00 N ATOM 21191 C4 C B 986 57.764 11.655 37.185 1.00 0.00 C ATOM 21192 N4 C B 986 58.653 11.410 36.236 1.00 0.00 N ATOM 21193 C5 C B 986 57.306 12.992 37.416 1.00 0.00 C ATOM 21194 C6 C B 986 56.396 13.168 38.405 1.00 0.00 C ATOM 21195 P C B 987 57.362 13.991 44.039 1.00 0.00 P ATOM 21196 O1P C B 987 57.241 14.612 45.375 1.00 0.00 O ATOM 21197 O2P C B 987 58.330 14.625 43.115 1.00 0.00 O ATOM 21198 O5* C B 987 57.705 12.433 44.195 1.00 0.00 O ATOM 21199 C5* C B 987 56.832 11.602 44.983 1.00 0.00 C ATOM 21200 C4* C B 987 57.275 10.156 44.894 1.00 0.00 C ATOM 21201 O4* C B 987 57.048 9.678 43.536 1.00 0.00 O ATOM 21202 C3* C B 987 58.764 9.897 45.130 1.00 0.00 C ATOM 21203 O3* C B 987 59.054 9.794 46.488 1.00 0.00 O ATOM 21204 C2* C B 987 58.984 8.588 44.376 1.00 0.00 C ATOM 21205 O2* C B 987 58.471 7.492 45.114 1.00 0.00 O ATOM 21206 C1* C B 987 58.076 8.773 43.168 1.00 0.00 C ATOM 21207 N1 C B 987 58.774 9.329 41.972 1.00 0.00 N ATOM 21208 C2 C B 987 59.624 8.482 41.266 1.00 0.00 C ATOM 21209 O2 C B 987 59.763 7.317 41.654 1.00 0.00 O ATOM 21210 N3 C B 987 60.269 8.970 40.175 1.00 0.00 N ATOM 21211 C4 C B 987 60.090 10.239 39.788 1.00 0.00 C ATOM 21212 N4 C B 987 60.743 10.665 38.717 1.00 0.00 N ATOM 21213 C5 C B 987 59.222 11.125 40.501 1.00 0.00 C ATOM 21214 C6 C B 987 58.585 10.619 41.587 1.00 0.00 C ATOM 21215 P A B 988 60.293 10.588 47.733 1.00 0.00 P ATOM 21216 O1P A B 988 59.420 11.318 48.679 1.00 0.00 O ATOM 21217 O2P A B 988 61.256 11.421 46.974 1.00 0.00 O ATOM 21218 O5* A B 988 61.311 9.417 48.898 1.00 0.00 O ATOM 21219 C5* A B 988 62.200 9.493 50.216 1.00 0.00 C ATOM 21220 C4* A B 988 63.139 8.289 51.035 1.00 0.00 C ATOM 21221 O4* A B 988 63.538 7.316 50.027 1.00 0.00 O ATOM 21222 C3* A B 988 64.328 8.338 51.996 1.00 0.00 C ATOM 21223 O3* A B 988 64.495 8.769 53.536 1.00 0.00 O ATOM 21224 C2* A B 988 64.791 6.882 52.002 1.00 0.00 C ATOM 21225 O2* A B 988 63.928 6.080 52.791 1.00 0.00 O ATOM 21226 C1* A B 988 64.563 6.480 50.543 1.00 0.00 C ATOM 21227 N9 A B 988 65.927 6.631 49.547 1.00 0.00 N ATOM 21228 C8 A B 988 66.776 5.645 49.106 1.00 0.00 C ATOM 21229 N7 A B 988 67.662 6.059 48.245 1.00 0.00 N ATOM 21230 C5 A B 988 67.383 7.412 48.100 1.00 0.00 C ATOM 21231 C6 A B 988 67.969 8.418 47.322 1.00 0.00 C ATOM 21232 N6 A B 988 69.009 8.210 46.503 1.00 0.00 N ATOM 21233 N1 A B 988 67.446 9.656 47.416 1.00 0.00 N ATOM 21234 C2 A B 988 66.410 9.856 48.231 1.00 0.00 C ATOM 21235 N3 A B 988 65.782 8.997 49.001 1.00 0.00 N ATOM 21236 C4 A B 988 66.325 7.766 48.889 1.00 0.00 C ATOM 21237 P G B 989 66.168 9.397 54.215 1.00 0.00 P ATOM 21238 O1P G B 989 65.883 10.741 54.769 1.00 0.00 O ATOM 21239 O2P G B 989 67.160 9.347 53.125 1.00 0.00 O ATOM 21240 O5* G B 989 66.877 8.388 55.669 1.00 0.00 O ATOM 21241 C5* G B 989 67.927 7.746 56.597 1.00 0.00 C ATOM 21242 C4* G B 989 68.798 8.447 57.885 1.00 0.00 C ATOM 21243 O4* G B 989 68.275 9.761 58.232 1.00 0.00 O ATOM 21244 C3* G B 989 69.065 7.788 59.237 1.00 0.00 C ATOM 21245 O3* G B 989 69.820 6.416 59.450 1.00 0.00 O ATOM 21246 C2* G B 989 69.543 8.969 60.080 1.00 0.00 C ATOM 21247 O2* G B 989 70.881 9.313 59.756 1.00 0.00 O ATOM 21248 C1* G B 989 68.658 10.097 59.556 1.00 0.00 C ATOM 21249 N9 G B 989 67.230 10.377 60.477 1.00 0.00 N ATOM 21250 C8 G B 989 65.918 10.111 60.151 1.00 0.00 C ATOM 21251 N7 G B 989 65.050 10.539 61.040 1.00 0.00 N ATOM 21252 C5 G B 989 65.844 11.139 62.016 1.00 0.00 C ATOM 21253 C6 G B 989 65.475 11.786 63.220 1.00 0.00 C ATOM 21254 O6 G B 989 64.349 11.968 63.685 1.00 0.00 O ATOM 21255 N1 G B 989 66.595 12.248 63.921 1.00 0.00 N ATOM 21256 C2 G B 989 67.905 12.107 63.506 1.00 0.00 C ATOM 21257 N2 G B 989 68.840 12.616 64.317 1.00 0.00 N ATOM 21258 N3 G B 989 68.253 11.496 62.372 1.00 0.00 N ATOM 21259 C4 G B 989 67.174 11.040 61.683 1.00 0.00 C ATOM 21260 P A B 990 71.256 6.201 60.634 1.00 0.00 P ATOM 21261 O1P A B 990 71.221 7.211 61.711 1.00 0.00 O ATOM 21262 O2P A B 990 72.511 6.139 59.846 1.00 0.00 O ATOM 21263 O5* A B 990 70.928 4.524 61.377 1.00 0.00 O ATOM 21264 C5* A B 990 71.507 3.289 61.975 1.00 0.00 C ATOM 21265 C4* A B 990 71.097 2.874 63.512 1.00 0.00 C ATOM 21266 O4* A B 990 69.742 3.161 63.967 1.00 0.00 O ATOM 21267 C3* A B 990 71.575 1.773 64.460 1.00 0.00 C ATOM 21268 O3* A B 990 71.898 0.262 64.320 1.00 0.00 O ATOM 21269 C2* A B 990 70.927 2.176 65.778 1.00 0.00 C ATOM 21270 O2* A B 990 71.621 3.263 66.367 1.00 0.00 O ATOM 21271 C1* A B 990 69.580 2.717 65.306 1.00 0.00 C ATOM 21272 N9 A B 990 68.304 1.581 65.345 1.00 0.00 N ATOM 21273 C8 A B 990 67.489 1.180 64.316 1.00 0.00 C ATOM 21274 N7 A B 990 66.493 0.439 64.690 1.00 0.00 N ATOM 21275 C5 A B 990 66.648 0.331 66.067 1.00 0.00 C ATOM 21276 C6 A B 990 65.909 -0.329 67.052 1.00 0.00 C ATOM 21277 N6 A B 990 64.805 -1.047 66.797 1.00 0.00 N ATOM 21278 N1 A B 990 66.337 -0.228 68.328 1.00 0.00 N ATOM 21279 C2 A B 990 67.438 0.483 68.574 1.00 0.00 C ATOM 21280 N3 A B 990 68.205 1.144 67.738 1.00 0.00 N ATOM 21281 C4 A B 990 67.752 1.022 66.473 1.00 0.00 C ATOM 21282 P C B 991 73.735 -0.011 65.445 1.00 0.00 P ATOM 21283 O1P C B 991 73.259 0.321 66.807 1.00 0.00 O ATOM 21284 O2P C B 991 73.690 1.092 64.461 1.00 0.00 O ATOM 21285 O5* C B 991 72.928 -1.272 64.881 1.00 0.00 O ATOM 21286 C5* C B 991 73.207 -1.743 63.550 1.00 0.00 C ATOM 21287 C4* C B 991 72.427 -3.010 63.274 1.00 0.00 C ATOM 21288 O4* C B 991 72.949 -4.078 64.117 1.00 0.00 O ATOM 21289 C3* C B 991 70.936 -2.964 63.617 1.00 0.00 C ATOM 21290 O3* C B 991 70.193 -2.404 62.583 1.00 0.00 O ATOM 21291 C2* C B 991 70.616 -4.439 63.842 1.00 0.00 C ATOM 21292 O2* C B 991 70.515 -5.126 62.607 1.00 0.00 O ATOM 21293 C1* C B 991 71.891 -4.932 64.519 1.00 0.00 C ATOM 21294 N1 C B 991 71.824 -4.911 66.008 1.00 0.00 N ATOM 21295 C2 C B 991 71.054 -5.884 66.637 1.00 0.00 C ATOM 21296 O2 C B 991 70.465 -6.722 65.943 1.00 0.00 O ATOM 21297 N3 C B 991 70.981 -5.881 67.993 1.00 0.00 N ATOM 21298 C4 C B 991 71.634 -4.959 68.711 1.00 0.00 C ATOM 21299 N4 C B 991 71.530 -5.000 70.031 1.00 0.00 N ATOM 21300 C5 C B 991 72.430 -3.948 68.083 1.00 0.00 C ATOM 21301 C6 C B 991 72.491 -3.969 66.726 1.00 0.00 C ATOM 21302 P C B 992 68.871 -1.518 62.958 1.00 0.00 P ATOM 21303 O1P C B 992 68.440 -0.723 61.785 1.00 0.00 O ATOM 21304 O2P C B 992 69.128 -0.756 64.199 1.00 0.00 O ATOM 21305 O5* C B 992 67.806 -2.678 63.243 1.00 0.00 O ATOM 21306 C5* C B 992 67.478 -3.601 62.188 1.00 0.00 C ATOM 21307 C4* C B 992 66.553 -4.680 62.712 1.00 0.00 C ATOM 21308 O4* C B 992 67.286 -5.511 63.661 1.00 0.00 O ATOM 21309 C3* C B 992 65.343 -4.191 63.511 1.00 0.00 C ATOM 21310 O3* C B 992 64.286 -3.839 62.674 1.00 0.00 O ATOM 21311 C2* C B 992 65.024 -5.404 64.384 1.00 0.00 C ATOM 21312 O2* C B 992 64.369 -6.409 63.627 1.00 0.00 O ATOM 21313 C1* C B 992 66.420 -5.929 64.704 1.00 0.00 C ATOM 21314 N1 C B 992 66.970 -5.417 65.989 1.00 0.00 N ATOM 21315 C2 C B 992 66.451 -5.937 67.171 1.00 0.00 C ATOM 21316 O2 C B 992 65.563 -6.794 67.106 1.00 0.00 O ATOM 21317 N3 C B 992 66.938 -5.482 68.352 1.00 0.00 N ATOM 21318 C4 C B 992 67.900 -4.551 68.385 1.00 0.00 C ATOM 21319 N4 C B 992 68.344 -4.142 69.562 1.00 0.00 N ATOM 21320 C5 C B 992 68.451 -4.003 67.180 1.00 0.00 C ATOM 21321 C6 C B 992 67.948 -4.470 66.009 1.00 0.00 C ATOM 21322 P G B 993 63.312 -2.607 63.120 1.00 0.00 P ATOM 21323 O1P G B 993 62.506 -2.148 61.965 1.00 0.00 O ATOM 21324 O2P G B 993 64.115 -1.563 63.797 1.00 0.00 O ATOM 21325 O5* G B 993 62.367 -3.339 64.183 1.00 0.00 O ATOM 21326 C5* G B 993 61.561 -4.452 63.751 1.00 0.00 C ATOM 21327 C4* G B 993 60.850 -5.066 64.937 1.00 0.00 C ATOM 21328 O4* G B 993 61.836 -5.694 65.807 1.00 0.00 O ATOM 21329 C3* G B 993 60.117 -4.087 65.856 1.00 0.00 C ATOM 21330 O3* G B 993 58.844 -3.794 65.377 1.00 0.00 O ATOM 21331 C2* G B 993 60.088 -4.852 67.181 1.00 0.00 C ATOM 21332 O2* G B 993 59.103 -5.871 67.149 1.00 0.00 O ATOM 21333 C1* G B 993 61.444 -5.547 67.165 1.00 0.00 C ATOM 21334 N9 G B 993 62.515 -4.788 67.872 1.00 0.00 N ATOM 21335 C8 G B 993 63.567 -4.074 67.345 1.00 0.00 C ATOM 21336 N7 G B 993 64.338 -3.515 68.250 1.00 0.00 N ATOM 21337 C5 G B 993 63.750 -3.888 69.459 1.00 0.00 C ATOM 21338 C6 G B 993 64.134 -3.588 70.791 1.00 0.00 C ATOM 21339 O6 G B 993 65.086 -2.918 71.186 1.00 0.00 O ATOM 21340 N1 G B 993 63.262 -4.170 71.721 1.00 0.00 N ATOM 21341 C2 G B 993 62.158 -4.940 71.403 1.00 0.00 C ATOM 21342 N2 G B 993 61.449 -5.401 72.434 1.00 0.00 N ATOM 21343 N3 G B 993 61.800 -5.221 70.152 1.00 0.00 N ATOM 21344 C4 G B 993 62.638 -4.666 69.237 1.00 0.00 C ATOM 21345 P C B 994 58.239 -2.296 65.626 1.00 0.00 P ATOM 21346 O1P C B 994 57.069 -2.062 64.749 1.00 0.00 O ATOM 21347 O2P C B 994 59.329 -1.301 65.523 1.00 0.00 O ATOM 21348 O5* C B 994 57.758 -2.416 67.148 1.00 0.00 O ATOM 21349 C5* C B 994 56.758 -3.396 67.489 1.00 0.00 C ATOM 21350 C4* C B 994 56.550 -3.418 68.989 1.00 0.00 C ATOM 21351 O4* C B 994 57.751 -3.940 69.627 1.00 0.00 O ATOM 21352 C3* C B 994 56.339 -2.058 69.655 1.00 0.00 C ATOM 21353 O3* C B 994 55.009 -1.652 69.581 1.00 0.00 O ATOM 21354 C2* C B 994 56.792 -2.331 71.088 1.00 0.00 C ATOM 21355 O2* C B 994 55.803 -3.054 71.798 1.00 0.00 O ATOM 21356 C1* C B 994 57.962 -3.283 70.864 1.00 0.00 C ATOM 21357 N1 C B 994 59.286 -2.600 70.803 1.00 0.00 N ATOM 21358 C2 C B 994 59.829 -2.133 71.996 1.00 0.00 C ATOM 21359 O2 C B 994 59.200 -2.301 73.046 1.00 0.00 O ATOM 21360 N3 C B 994 61.034 -1.508 71.962 1.00 0.00 N ATOM 21361 C4 C B 994 61.686 -1.344 70.803 1.00 0.00 C ATOM 21362 N4 C B 994 62.858 -0.727 70.823 1.00 0.00 N ATOM 21363 C5 C B 994 61.142 -1.819 69.565 1.00 0.00 C ATOM 21364 C6 C B 994 59.939 -2.439 69.622 1.00 0.00 C ATOM 21365 P C B 995 54.692 -0.207 68.452 1.00 0.00 P ATOM 21366 O1P C B 995 53.264 -0.171 68.085 1.00 0.00 O ATOM 21367 O2P C B 995 55.651 -0.216 67.319 1.00 0.00 O ATOM 21368 O5* C B 995 55.079 1.196 69.589 1.00 0.00 O ATOM 21369 C5* C B 995 54.817 2.643 69.650 1.00 0.00 C ATOM 21370 C4* C B 995 53.323 2.978 70.232 1.00 0.00 C ATOM 21371 O4* C B 995 52.389 3.846 69.536 1.00 0.00 O ATOM 21372 C3* C B 995 52.490 1.745 70.584 1.00 0.00 C ATOM 21373 O3* C B 995 53.288 0.873 71.545 1.00 0.00 O ATOM 21374 C2* C B 995 51.126 2.356 70.884 1.00 0.00 C ATOM 21375 O2* C B 995 51.120 2.968 72.163 1.00 0.00 O ATOM 21376 C1* C B 995 51.057 3.481 69.856 1.00 0.00 C ATOM 21377 N1 C B 995 50.246 3.074 68.407 1.00 0.00 N ATOM 21378 C2 C B 995 48.863 2.958 68.448 1.00 0.00 C ATOM 21379 O2 C B 995 48.277 3.150 69.522 1.00 0.00 O ATOM 21380 N3 C B 995 48.200 2.638 67.303 1.00 0.00 N ATOM 21381 C4 C B 995 48.867 2.441 66.162 1.00 0.00 C ATOM 21382 N4 C B 995 48.177 2.131 65.075 1.00 0.00 N ATOM 21383 C5 C B 995 50.296 2.557 66.099 1.00 0.00 C ATOM 21384 C6 C B 995 50.935 2.876 67.247 1.00 0.00 C ATOM 21385 P A B 996 52.324 -0.050 72.761 1.00 0.00 P ATOM 21386 O1P A B 996 52.806 -1.439 72.894 1.00 0.00 O ATOM 21387 O2P A B 996 50.864 0.116 72.595 1.00 0.00 O ATOM 21388 O5* A B 996 52.831 0.822 74.002 1.00 0.00 O ATOM 21389 C5* A B 996 52.111 0.756 75.245 1.00 0.00 C ATOM 21390 C4* A B 996 52.834 1.553 76.308 1.00 0.00 C ATOM 21391 O4* A B 996 54.091 0.891 76.622 1.00 0.00 O ATOM 21392 C3* A B 996 53.253 2.971 75.909 1.00 0.00 C ATOM 21393 O3* A B 996 52.214 3.879 76.081 1.00 0.00 O ATOM 21394 C2* A B 996 54.425 3.232 76.850 1.00 0.00 C ATOM 21395 O2* A B 996 53.967 3.523 78.159 1.00 0.00 O ATOM 21396 C1* A B 996 55.087 1.861 76.907 1.00 0.00 C ATOM 21397 N9 A B 996 56.194 1.687 75.924 1.00 0.00 N ATOM 21398 C8 A B 996 56.206 0.962 74.755 1.00 0.00 C ATOM 21399 N7 A B 996 57.334 1.010 74.116 1.00 0.00 N ATOM 21400 C5 A B 996 58.132 1.827 74.907 1.00 0.00 C ATOM 21401 C6 A B 996 59.454 2.274 74.771 1.00 0.00 C ATOM 21402 N6 A B 996 60.247 1.946 73.742 1.00 0.00 N ATOM 21403 N1 A B 996 59.939 3.075 75.739 1.00 0.00 N ATOM 21404 C2 A B 996 59.148 3.399 76.760 1.00 0.00 C ATOM 21405 N3 A B 996 57.903 3.043 76.994 1.00 0.00 N ATOM 21406 C4 A B 996 57.443 2.242 76.009 1.00 0.00 C ATOM 21407 P G B 997 52.086 5.133 75.042 1.00 0.00 P ATOM 21408 O1P G B 997 50.747 5.755 75.150 1.00 0.00 O ATOM 21409 O2P G B 997 52.481 4.688 73.685 1.00 0.00 O ATOM 21410 O5* G B 997 53.194 6.124 75.633 1.00 0.00 O ATOM 21411 C5* G B 997 53.051 6.608 76.981 1.00 0.00 C ATOM 21412 C4* G B 997 54.269 7.424 77.368 1.00 0.00 C ATOM 21413 O4* G B 997 55.420 6.537 77.456 1.00 0.00 O ATOM 21414 C3* G B 997 54.701 8.494 76.368 1.00 0.00 C ATOM 21415 O3* G B 997 53.984 9.674 76.537 1.00 0.00 O ATOM 21416 C2* G B 997 56.185 8.652 76.692 1.00 0.00 C ATOM 21417 O2* G B 997 56.362 9.408 77.878 1.00 0.00 O ATOM 21418 C1* G B 997 56.586 7.217 77.016 1.00 0.00 C ATOM 21419 N9 G B 997 57.138 6.473 75.849 1.00 0.00 N ATOM 21420 C8 G B 997 56.554 5.483 75.092 1.00 0.00 C ATOM 21421 N7 G B 997 57.316 5.028 74.127 1.00 0.00 N ATOM 21422 C5 G B 997 58.492 5.769 74.255 1.00 0.00 C ATOM 21423 C6 G B 997 59.685 5.728 73.491 1.00 0.00 C ATOM 21424 O6 G B 997 59.961 5.014 72.530 1.00 0.00 O ATOM 21425 N1 G B 997 60.626 6.653 73.964 1.00 0.00 N ATOM 21426 C2 G B 997 60.439 7.506 75.032 1.00 0.00 C ATOM 21427 N2 G B 997 61.458 8.315 75.328 1.00 0.00 N ATOM 21428 N3 G B 997 59.316 7.547 75.747 1.00 0.00 N ATOM 21429 C4 G B 997 58.392 6.653 75.303 1.00 0.00 C ATOM 21430 P C B 998 53.638 10.580 75.223 1.00 0.00 P ATOM 21431 O1P C B 998 52.583 11.567 75.545 1.00 0.00 O ATOM 21432 O2P C B 998 53.359 9.692 74.072 1.00 0.00 O ATOM 21433 O5* C B 998 55.033 11.331 74.998 1.00 0.00 O ATOM 21434 C5* C B 998 55.542 12.182 76.042 1.00 0.00 C ATOM 21435 C4* C B 998 56.921 12.687 75.675 1.00 0.00 C ATOM 21436 O4* C B 998 57.851 11.565 75.682 1.00 0.00 O ATOM 21437 C3* C B 998 57.066 13.272 74.270 1.00 0.00 C ATOM 21438 O3* C B 998 56.679 14.610 74.233 1.00 0.00 O ATOM 21439 C2* C B 998 58.553 13.081 73.992 1.00 0.00 C ATOM 21440 O2* C B 998 59.326 14.047 74.689 1.00 0.00 O ATOM 21441 C1* C B 998 58.819 11.735 74.658 1.00 0.00 C ATOM 21442 N1 C B 998 58.714 10.575 73.729 1.00 0.00 N ATOM 21443 C2 C B 998 59.744 10.379 72.816 1.00 0.00 C ATOM 21444 O2 C B 998 60.696 11.169 72.812 1.00 0.00 O ATOM 21445 N3 C B 998 59.668 9.327 71.959 1.00 0.00 N ATOM 21446 C4 C B 998 58.620 8.496 71.995 1.00 0.00 C ATOM 21447 N4 C B 998 58.592 7.484 71.140 1.00 0.00 N ATOM 21448 C5 C B 998 57.550 8.680 72.929 1.00 0.00 C ATOM 21449 C6 C B 998 57.645 9.733 73.773 1.00 0.00 C ATOM 21450 P U B 999 55.966 15.185 72.880 1.00 0.00 P ATOM 21451 O1P U B 999 55.312 16.484 73.155 1.00 0.00 O ATOM 21452 O2P U B 999 55.100 14.137 72.296 1.00 0.00 O ATOM 21453 O5* U B 999 57.244 15.413 71.941 1.00 0.00 O ATOM 21454 C5* U B 999 58.267 16.331 72.365 1.00 0.00 C ATOM 21455 C4* U B 999 59.430 16.296 71.394 1.00 0.00 C ATOM 21456 O4* U B 999 60.088 15.002 71.496 1.00 0.00 O ATOM 21457 C3* U B 999 59.066 16.411 69.914 1.00 0.00 C ATOM 21458 O3* U B 999 58.918 17.742 69.528 1.00 0.00 O ATOM 21459 C2* U B 999 60.254 15.730 69.241 1.00 0.00 C ATOM 21460 O2* U B 999 61.386 16.584 69.232 1.00 0.00 O ATOM 21461 C1* U B 999 60.557 14.601 70.218 1.00 0.00 C ATOM 21462 N1 U B 999 59.891 13.312 69.868 1.00 0.00 N ATOM 21463 C2 U B 999 60.411 12.609 68.807 1.00 0.00 C ATOM 21464 O2 U B 999 61.371 12.995 68.161 1.00 0.00 O ATOM 21465 N3 U B 999 59.769 11.423 68.515 1.00 0.00 N ATOM 21466 C4 U B 999 58.680 10.892 69.174 1.00 0.00 C ATOM 21467 O4 U B 999 58.191 9.818 68.818 1.00 0.00 O ATOM 21468 C5 U B 999 58.208 11.702 70.271 1.00 0.00 C ATOM 21469 C6 U B 999 58.810 12.862 70.580 1.00 0.00 C ATOM 21470 P A B1000 59.987 19.220 69.800 1.00 0.00 P ATOM 21471 O1P A B1000 61.426 18.900 69.913 1.00 0.00 O ATOM 21472 O2P A B1000 59.424 20.064 70.878 1.00 0.00 O ATOM 21473 O5* A B1000 59.640 19.950 68.144 1.00 0.00 O ATOM 21474 C5* A B1000 60.101 21.250 67.674 1.00 0.00 C ATOM 21475 C4* A B1000 59.971 21.668 66.093 1.00 0.00 C ATOM 21476 O4* A B1000 58.652 22.113 65.655 1.00 0.00 O ATOM 21477 C3* A B1000 60.927 22.700 65.497 1.00 0.00 C ATOM 21478 O3* A B1000 62.443 22.618 65.684 1.00 0.00 O ATOM 21479 C2* A B1000 60.263 23.014 64.160 1.00 0.00 C ATOM 21480 O2* A B1000 60.490 21.969 63.226 1.00 0.00 O ATOM 21481 C1* A B1000 58.786 22.962 64.530 1.00 0.00 C ATOM 21482 N9 A B1000 58.104 24.455 64.909 1.00 0.00 N ATOM 21483 C8 A B1000 57.110 24.734 65.819 1.00 0.00 C ATOM 21484 N7 A B1000 56.682 25.956 65.771 1.00 0.00 N ATOM 21485 C5 A B1000 57.441 26.541 64.766 1.00 0.00 C ATOM 21486 C6 A B1000 57.466 27.839 64.231 1.00 0.00 C ATOM 21487 N6 A B1000 56.673 28.829 64.655 1.00 0.00 N ATOM 21488 N1 A B1000 58.347 28.079 63.239 1.00 0.00 N ATOM 21489 C2 A B1000 59.132 27.089 62.823 1.00 0.00 C ATOM 21490 N3 A B1000 59.198 25.848 63.245 1.00 0.00 N ATOM 21491 C4 A B1000 58.312 25.632 64.238 1.00 0.00 C ATOM 21492 P A B1001 63.501 21.699 64.500 1.00 0.00 P ATOM 21493 O1P A B1001 62.732 20.850 63.569 1.00 0.00 O ATOM 21494 O2P A B1001 64.603 21.032 65.224 1.00 0.00 O ATOM 21495 O5* A B1001 64.084 23.229 63.687 1.00 0.00 O ATOM 21496 C5* A B1001 64.658 23.989 62.597 1.00 0.00 C ATOM 21497 C4* A B1001 65.859 25.021 62.993 1.00 0.00 C ATOM 21498 O4* A B1001 66.297 25.027 64.383 1.00 0.00 O ATOM 21499 C3* A B1001 67.157 25.187 62.201 1.00 0.00 C ATOM 21500 O3* A B1001 66.963 25.491 60.697 1.00 0.00 O ATOM 21501 C2* A B1001 67.961 26.129 63.095 1.00 0.00 C ATOM 21502 O2* A B1001 67.485 27.456 62.977 1.00 0.00 O ATOM 21503 C1* A B1001 67.572 25.638 64.484 1.00 0.00 C ATOM 21504 N9 A B1001 68.644 24.522 65.162 1.00 0.00 N ATOM 21505 C8 A B1001 68.371 23.503 66.049 1.00 0.00 C ATOM 21506 N7 A B1001 69.391 22.737 66.293 1.00 0.00 N ATOM 21507 C5 A B1001 70.409 23.278 65.525 1.00 0.00 C ATOM 21508 C6 A B1001 71.753 22.913 65.346 1.00 0.00 C ATOM 21509 N6 A B1001 72.325 21.871 65.964 1.00 0.00 N ATOM 21510 N1 A B1001 72.495 23.667 64.511 1.00 0.00 N ATOM 21511 C2 A B1001 71.918 24.700 63.899 1.00 0.00 C ATOM 21512 N3 A B1001 70.680 25.135 63.990 1.00 0.00 N ATOM 21513 C4 A B1001 69.958 24.365 64.830 1.00 0.00 C ATOM 21514 P G B1002 68.128 26.381 59.597 1.00 0.00 P ATOM 21515 O1P G B1002 69.543 26.483 60.020 1.00 0.00 O ATOM 21516 O2P G B1002 67.501 27.635 59.129 1.00 0.00 O ATOM 21517 O5* G B1002 67.982 25.249 58.475 1.00 0.00 O ATOM 21518 C5* G B1002 68.949 25.196 57.406 1.00 0.00 C ATOM 21519 C4* G B1002 68.692 23.984 56.537 1.00 0.00 C ATOM 21520 O4* G B1002 68.982 22.781 57.307 1.00 0.00 O ATOM 21521 C3* G B1002 67.246 23.787 56.079 1.00 0.00 C ATOM 21522 O3* G B1002 66.963 24.536 54.937 1.00 0.00 O ATOM 21523 C2* G B1002 67.192 22.282 55.823 1.00 0.00 C ATOM 21524 O2* G B1002 67.835 21.955 54.602 1.00 0.00 O ATOM 21525 C1* G B1002 68.077 21.748 56.946 1.00 0.00 C ATOM 21526 N9 G B1002 67.322 21.353 58.166 1.00 0.00 N ATOM 21527 C8 G B1002 67.229 21.997 59.382 1.00 0.00 C ATOM 21528 N7 G B1002 66.475 21.374 60.257 1.00 0.00 N ATOM 21529 C5 G B1002 66.034 20.243 59.573 1.00 0.00 C ATOM 21530 C6 G B1002 65.185 19.190 60.000 1.00 0.00 C ATOM 21531 O6 G B1002 64.638 19.037 61.091 1.00 0.00 O ATOM 21532 N1 G B1002 64.996 18.241 58.988 1.00 0.00 N ATOM 21533 C2 G B1002 65.554 18.301 57.724 1.00 0.00 C ATOM 21534 N2 G B1002 65.253 17.296 56.902 1.00 0.00 N ATOM 21535 N3 G B1002 66.350 19.289 57.324 1.00 0.00 N ATOM 21536 C4 G B1002 66.545 20.220 58.296 1.00 0.00 C ATOM 21537 P G B1003 65.461 25.147 54.751 1.00 0.00 P ATOM 21538 O1P G B1003 65.462 26.192 53.702 1.00 0.00 O ATOM 21539 O2P G B1003 64.932 25.561 56.068 1.00 0.00 O ATOM 21540 O5* G B1003 64.672 23.856 54.230 1.00 0.00 O ATOM 21541 C5* G B1003 65.089 23.233 53.001 1.00 0.00 C ATOM 21542 C4* G B1003 64.293 21.966 52.768 1.00 0.00 C ATOM 21543 O4* G B1003 64.665 20.982 53.777 1.00 0.00 O ATOM 21544 C3* G B1003 62.777 22.094 52.918 1.00 0.00 C ATOM 21545 O3* G B1003 62.185 22.559 51.745 1.00 0.00 O ATOM 21546 C2* G B1003 62.368 20.665 53.258 1.00 0.00 C ATOM 21547 O2* G B1003 62.383 19.846 52.097 1.00 0.00 O ATOM 21548 C1* G B1003 63.528 20.210 54.134 1.00 0.00 C ATOM 21549 N9 G B1003 63.288 20.399 55.592 1.00 0.00 N ATOM 21550 C8 G B1003 63.819 21.339 56.449 1.00 0.00 C ATOM 21551 N7 G B1003 63.393 21.232 57.686 1.00 0.00 N ATOM 21552 C5 G B1003 62.522 20.143 57.648 1.00 0.00 C ATOM 21553 C6 G B1003 61.759 19.547 58.681 1.00 0.00 C ATOM 21554 O6 G B1003 61.693 19.859 59.866 1.00 0.00 O ATOM 21555 N1 G B1003 61.011 18.462 58.205 1.00 0.00 N ATOM 21556 C2 G B1003 61.000 18.014 56.898 1.00 0.00 C ATOM 21557 N2 G B1003 60.219 16.963 56.645 1.00 0.00 N ATOM 21558 N3 G B1003 61.718 18.574 55.926 1.00 0.00 N ATOM 21559 C4 G B1003 62.452 19.628 56.373 1.00 0.00 C ATOM 21560 P U B1004 60.868 23.520 51.859 1.00 0.00 P ATOM 21561 O1P U B1004 60.614 24.196 50.568 1.00 0.00 O ATOM 21562 O2P U B1004 61.007 24.410 53.034 1.00 0.00 O ATOM 21563 O5* U B1004 59.728 22.433 52.136 1.00 0.00 O ATOM 21564 C5* U B1004 59.486 21.409 51.150 1.00 0.00 C ATOM 21565 C4* U B1004 58.459 20.424 51.669 1.00 0.00 C ATOM 21566 O4* U B1004 59.039 19.682 52.782 1.00 0.00 O ATOM 21567 C3* U B1004 57.186 21.036 52.258 1.00 0.00 C ATOM 21568 O3* U B1004 56.254 21.326 51.264 1.00 0.00 O ATOM 21569 C2* U B1004 56.712 19.935 53.205 1.00 0.00 C ATOM 21570 O2* U B1004 56.110 18.873 52.486 1.00 0.00 O ATOM 21571 C1* U B1004 58.037 19.409 53.751 1.00 0.00 C ATOM 21572 N1 U B1004 58.454 20.042 55.032 1.00 0.00 N ATOM 21573 C2 U B1004 57.776 19.666 56.166 1.00 0.00 C ATOM 21574 O2 U B1004 56.868 18.850 56.155 1.00 0.00 O ATOM 21575 N3 U B1004 58.187 20.274 57.333 1.00 0.00 N ATOM 21576 C4 U B1004 59.197 21.206 57.460 1.00 0.00 C ATOM 21577 O4 U B1004 59.479 21.679 58.563 1.00 0.00 O ATOM 21578 C5 U B1004 59.853 21.537 56.216 1.00 0.00 C ATOM 21579 C6 U B1004 59.469 20.961 55.065 1.00 0.00 C ATOM 21580 P C B1005 53.923 20.294 51.108 1.00 0.00 P ATOM 21581 O1P C B1005 54.840 19.238 50.622 1.00 0.00 O ATOM 21582 O2P C B1005 54.527 21.298 52.015 1.00 0.00 O ATOM 21583 O5* C B1005 52.654 19.622 51.814 1.00 0.00 O ATOM 21584 C5* C B1005 51.605 20.468 52.316 1.00 0.00 C ATOM 21585 C4* C B1005 50.453 19.624 52.827 1.00 0.00 C ATOM 21586 O4* C B1005 49.254 20.448 52.881 1.00 0.00 O ATOM 21587 C3* C B1005 50.048 18.446 51.941 1.00 0.00 C ATOM 21588 O3* C B1005 50.841 17.324 52.187 1.00 0.00 O ATOM 21589 C2* C B1005 48.590 18.232 52.337 1.00 0.00 C ATOM 21590 O2* C B1005 48.500 17.580 53.592 1.00 0.00 O ATOM 21591 C1* C B1005 48.118 19.668 52.548 1.00 0.00 C ATOM 21592 N1 C B1005 47.482 20.271 51.344 1.00 0.00 N ATOM 21593 C2 C B1005 46.199 19.847 51.007 1.00 0.00 C ATOM 21594 O2 C B1005 45.648 18.996 51.714 1.00 0.00 O ATOM 21595 N3 C B1005 45.601 20.383 49.913 1.00 0.00 N ATOM 21596 C4 C B1005 46.230 21.305 49.172 1.00 0.00 C ATOM 21597 N4 C B1005 45.606 21.797 48.113 1.00 0.00 N ATOM 21598 C5 C B1005 47.551 21.753 49.501 1.00 0.00 C ATOM 21599 C6 C B1005 48.132 21.204 50.598 1.00 0.00 C ATOM 21600 P C B1006 51.241 16.271 51.007 1.00 0.00 P ATOM 21601 O1P C B1006 52.365 15.398 51.403 1.00 0.00 O ATOM 21602 O2P C B1006 51.434 17.041 49.758 1.00 0.00 O ATOM 21603 O5* C B1006 49.893 15.414 50.912 1.00 0.00 O ATOM 21604 C5* C B1006 49.467 14.657 52.058 1.00 0.00 C ATOM 21605 C4* C B1006 48.115 14.027 51.791 1.00 0.00 C ATOM 21606 O4* C B1006 47.112 15.086 51.706 1.00 0.00 O ATOM 21607 C3* C B1006 47.979 13.282 50.463 1.00 0.00 C ATOM 21608 O3* C B1006 48.448 11.975 50.561 1.00 0.00 O ATOM 21609 C2* C B1006 46.473 13.349 50.212 1.00 0.00 C ATOM 21610 O2* C B1006 45.784 12.421 51.036 1.00 0.00 O ATOM 21611 C1* C B1006 46.135 14.742 50.738 1.00 0.00 C ATOM 21612 N1 C B1006 46.142 15.794 49.683 1.00 0.00 N ATOM 21613 C2 C B1006 45.080 15.821 48.784 1.00 0.00 C ATOM 21614 O2 C B1006 44.181 14.977 48.897 1.00 0.00 O ATOM 21615 N3 C B1006 45.067 16.772 47.816 1.00 0.00 N ATOM 21616 C4 C B1006 46.060 17.666 47.727 1.00 0.00 C ATOM 21617 N4 C B1006 46.000 18.574 46.764 1.00 0.00 N ATOM 21618 C5 C B1006 47.161 17.657 48.640 1.00 0.00 C ATOM 21619 C6 C B1006 47.157 16.699 49.599 1.00 0.00 C ATOM 21620 P C B1007 48.857 10.758 51.853 1.00 0.00 P ATOM 21621 O1P C B1007 49.297 9.508 51.201 1.00 0.00 O ATOM 21622 O2P C B1007 47.863 10.608 52.939 1.00 0.00 O ATOM 21623 O5* C B1007 50.248 11.814 52.339 1.00 0.00 O ATOM 21624 C5* C B1007 49.909 12.655 53.445 1.00 0.00 C ATOM 21625 C4* C B1007 50.380 12.020 54.823 1.00 0.00 C ATOM 21626 O4* C B1007 49.732 10.975 55.607 1.00 0.00 O ATOM 21627 C3* C B1007 51.833 11.993 55.301 1.00 0.00 C ATOM 21628 O3* C B1007 52.914 12.720 54.565 1.00 0.00 O ATOM 21629 C2* C B1007 51.675 11.677 56.784 1.00 0.00 C ATOM 21630 O2* C B1007 51.250 12.828 57.501 1.00 0.00 O ATOM 21631 C1* C B1007 50.495 10.708 56.769 1.00 0.00 C ATOM 21632 N1 C B1007 50.930 9.061 56.758 1.00 0.00 N ATOM 21633 C2 C B1007 51.464 8.523 57.925 1.00 0.00 C ATOM 21634 O2 C B1007 51.587 9.252 58.915 1.00 0.00 O ATOM 21635 N3 C B1007 51.831 7.216 57.933 1.00 0.00 N ATOM 21636 C4 C B1007 51.684 6.460 56.841 1.00 0.00 C ATOM 21637 N4 C B1007 52.055 5.189 56.899 1.00 0.00 N ATOM 21638 C5 C B1007 51.133 6.992 55.629 1.00 0.00 C ATOM 21639 C6 C B1007 50.775 8.300 55.641 1.00 0.00 C ATOM 21640 P A B1008 54.204 13.433 55.617 1.00 0.00 P ATOM 21641 O1P A B1008 54.276 12.879 56.985 1.00 0.00 O ATOM 21642 O2P A B1008 54.120 14.907 55.523 1.00 0.00 O ATOM 21643 O5* A B1008 55.463 12.681 54.545 1.00 0.00 O ATOM 21644 C5* A B1008 56.575 11.928 54.008 1.00 0.00 C ATOM 21645 C4* A B1008 57.945 12.762 54.157 1.00 0.00 C ATOM 21646 O4* A B1008 59.321 12.319 54.030 1.00 0.00 O ATOM 21647 C3* A B1008 58.054 14.283 54.255 1.00 0.00 C ATOM 21648 O3* A B1008 56.723 14.975 54.558 1.00 0.00 O ATOM 21649 C2* A B1008 59.343 14.457 55.059 1.00 0.00 C ATOM 21650 O2* A B1008 59.117 14.184 56.434 1.00 0.00 O ATOM 21651 C1* A B1008 60.200 13.319 54.516 1.00 0.00 C ATOM 21652 N9 A B1008 61.243 13.759 53.270 1.00 0.00 N ATOM 21653 C8 A B1008 61.249 13.319 51.965 1.00 0.00 C ATOM 21654 N7 A B1008 62.061 13.973 51.190 1.00 0.00 N ATOM 21655 C5 A B1008 62.638 14.916 52.032 1.00 0.00 C ATOM 21656 C6 A B1008 63.586 15.922 51.813 1.00 0.00 C ATOM 21657 N6 A B1008 64.155 16.157 50.619 1.00 0.00 N ATOM 21658 N1 A B1008 63.937 16.689 52.866 1.00 0.00 N ATOM 21659 C2 A B1008 63.372 16.451 54.047 1.00 0.00 C ATOM 21660 N3 A B1008 62.473 15.545 54.367 1.00 0.00 N ATOM 21661 C4 A B1008 62.141 14.793 53.296 1.00 0.00 C ATOM 21662 P A B1009 56.637 16.152 55.945 1.00 0.00 P ATOM 21663 O1P A B1009 57.948 16.837 56.045 1.00 0.00 O ATOM 21664 O2P A B1009 56.092 15.614 57.210 1.00 0.00 O ATOM 21665 O5* A B1009 55.397 17.142 55.041 1.00 0.00 O ATOM 21666 C5* A B1009 54.316 17.912 54.446 1.00 0.00 C ATOM 21667 C4* A B1009 53.486 18.799 55.550 1.00 0.00 C ATOM 21668 O4* A B1009 52.108 18.415 55.827 1.00 0.00 O ATOM 21669 C3* A B1009 54.129 18.879 56.930 1.00 0.00 C ATOM 21670 O3* A B1009 55.128 20.146 56.956 1.00 0.00 O ATOM 21671 C2* A B1009 52.991 19.427 57.788 1.00 0.00 C ATOM 21672 O2* A B1009 52.823 20.817 57.566 1.00 0.00 O ATOM 21673 C1* A B1009 51.781 18.730 57.170 1.00 0.00 C ATOM 21674 N9 A B1009 51.307 17.296 57.958 1.00 0.00 N ATOM 21675 C8 A B1009 50.087 16.657 57.911 1.00 0.00 C ATOM 21676 N7 A B1009 50.078 15.503 58.506 1.00 0.00 N ATOM 21677 C5 A B1009 51.373 15.354 58.975 1.00 0.00 C ATOM 21678 C6 A B1009 52.009 14.329 59.700 1.00 0.00 C ATOM 21679 N6 A B1009 51.391 13.203 60.087 1.00 0.00 N ATOM 21680 N1 A B1009 53.306 14.505 60.007 1.00 0.00 N ATOM 21681 C2 A B1009 53.915 15.621 59.620 1.00 0.00 C ATOM 21682 N3 A B1009 53.430 16.641 58.945 1.00 0.00 N ATOM 21683 C4 A B1009 52.129 16.441 58.647 1.00 0.00 C ATOM 21684 P A B1010 55.075 21.584 55.740 1.00 0.00 P ATOM 21685 O1P A B1010 54.983 21.032 54.368 1.00 0.00 O ATOM 21686 O2P A B1010 56.229 22.468 56.000 1.00 0.00 O ATOM 21687 O5* A B1010 53.550 22.594 56.032 1.00 0.00 O ATOM 21688 C5* A B1010 53.464 24.038 55.760 1.00 0.00 C ATOM 21689 C4* A B1010 53.254 24.592 54.239 1.00 0.00 C ATOM 21690 O4* A B1010 54.349 25.198 53.495 1.00 0.00 O ATOM 21691 C3* A B1010 52.393 23.946 53.154 1.00 0.00 C ATOM 21692 O3* A B1010 51.165 23.158 53.449 1.00 0.00 O ATOM 21693 C2* A B1010 52.520 24.939 52.004 1.00 0.00 C ATOM 21694 O2* A B1010 51.716 26.085 52.240 1.00 0.00 O ATOM 21695 C1* A B1010 53.968 25.381 52.140 1.00 0.00 C ATOM 21696 N9 A B1010 55.043 24.545 51.175 1.00 0.00 N ATOM 21697 C8 A B1010 54.870 23.325 50.555 1.00 0.00 C ATOM 21698 N7 A B1010 55.821 23.010 49.736 1.00 0.00 N ATOM 21699 C5 A B1010 56.696 24.088 49.808 1.00 0.00 C ATOM 21700 C6 A B1010 57.915 24.362 49.163 1.00 0.00 C ATOM 21701 N6 A B1010 58.490 23.534 48.282 1.00 0.00 N ATOM 21702 N1 A B1010 58.524 25.523 49.463 1.00 0.00 N ATOM 21703 C2 A B1010 57.945 26.346 50.339 1.00 0.00 C ATOM 21704 N3 A B1010 56.817 26.195 50.997 1.00 0.00 N ATOM 21705 C4 A B1010 56.230 25.026 50.680 1.00 0.00 C ATOM 21706 P G B1011 49.558 23.765 52.912 1.00 0.00 P ATOM 21707 O1P G B1011 49.058 23.083 51.698 1.00 0.00 O ATOM 21708 O2P G B1011 49.247 25.209 53.016 1.00 0.00 O ATOM 21709 O5* G B1011 49.027 23.001 54.216 1.00 0.00 O ATOM 21710 C5* G B1011 48.338 21.749 54.058 1.00 0.00 C ATOM 21711 C4* G B1011 48.039 21.147 55.417 1.00 0.00 C ATOM 21712 O4* G B1011 49.294 20.751 56.044 1.00 0.00 O ATOM 21713 C3* G B1011 47.396 22.088 56.438 1.00 0.00 C ATOM 21714 O3* G B1011 46.014 22.148 56.276 1.00 0.00 O ATOM 21715 C2* G B1011 47.807 21.452 57.763 1.00 0.00 C ATOM 21716 O2* G B1011 47.023 20.302 58.032 1.00 0.00 O ATOM 21717 C1* G B1011 49.217 20.965 57.444 1.00 0.00 C ATOM 21718 N9 G B1011 50.285 21.931 57.824 1.00 0.00 N ATOM 21719 C8 G B1011 51.050 22.743 57.013 1.00 0.00 C ATOM 21720 N7 G B1011 51.913 23.486 57.666 1.00 0.00 N ATOM 21721 C5 G B1011 51.700 23.146 59.000 1.00 0.00 C ATOM 21722 C6 G B1011 52.336 23.619 60.178 1.00 0.00 C ATOM 21723 O6 G B1011 53.230 24.452 60.285 1.00 0.00 O ATOM 21724 N1 G B1011 51.815 23.004 61.323 1.00 0.00 N ATOM 21725 C2 G B1011 50.813 22.056 61.335 1.00 0.00 C ATOM 21726 N2 G B1011 50.454 21.588 62.533 1.00 0.00 N ATOM 21727 N3 G B1011 50.217 21.608 60.230 1.00 0.00 N ATOM 21728 C4 G B1011 50.709 22.196 59.106 1.00 0.00 C ATOM 21729 P U B1012 45.376 23.806 55.881 1.00 0.00 P ATOM 21730 O1P U B1012 45.922 24.206 54.566 1.00 0.00 O ATOM 21731 O2P U B1012 45.333 24.874 56.908 1.00 0.00 O ATOM 21732 O5* U B1012 43.801 22.951 56.128 1.00 0.00 O ATOM 21733 C5* U B1012 43.919 22.100 57.325 1.00 0.00 C ATOM 21734 C4* U B1012 44.364 22.682 58.808 1.00 0.00 C ATOM 21735 O4* U B1012 45.209 23.836 59.090 1.00 0.00 O ATOM 21736 C3* U B1012 43.211 22.821 59.803 1.00 0.00 C ATOM 21737 O3* U B1012 42.702 21.373 60.063 1.00 0.00 O ATOM 21738 C2* U B1012 43.914 23.389 61.029 1.00 0.00 C ATOM 21739 O2* U B1012 44.642 22.377 61.707 1.00 0.00 O ATOM 21740 C1* U B1012 44.938 24.324 60.396 1.00 0.00 C ATOM 21741 N1 U B1012 44.435 25.949 60.268 1.00 0.00 N ATOM 21742 C2 U B1012 45.403 26.916 60.400 1.00 0.00 C ATOM 21743 O2 U B1012 46.564 26.663 60.685 1.00 0.00 O ATOM 21744 N3 U B1012 44.981 28.216 60.188 1.00 0.00 N ATOM 21745 C4 U B1012 43.700 28.615 59.859 1.00 0.00 C ATOM 21746 O4 U B1012 43.441 29.808 59.689 1.00 0.00 O ATOM 21747 C5 U B1012 42.755 27.527 59.745 1.00 0.00 C ATOM 21748 C6 U B1012 43.140 26.262 59.945 1.00 0.00 C ATOM 21749 P C B1013 43.737 19.828 59.867 1.00 0.00 P ATOM 21750 O1P C B1013 44.879 19.627 58.944 1.00 0.00 O ATOM 21751 O2P C B1013 42.580 18.931 59.660 1.00 0.00 O ATOM 21752 O5* C B1013 44.241 19.724 61.381 1.00 0.00 O ATOM 21753 C5* C B1013 44.304 18.427 62.006 1.00 0.00 C ATOM 21754 C4* C B1013 44.924 18.548 63.388 1.00 0.00 C ATOM 21755 O4* C B1013 46.326 18.912 63.244 1.00 0.00 O ATOM 21756 C3* C B1013 44.346 19.645 64.282 1.00 0.00 C ATOM 21757 O3* C B1013 43.201 19.214 64.947 1.00 0.00 O ATOM 21758 C2* C B1013 45.509 19.927 65.231 1.00 0.00 C ATOM 21759 O2* C B1013 45.616 18.908 66.210 1.00 0.00 O ATOM 21760 C1* C B1013 46.707 19.780 64.302 1.00 0.00 C ATOM 21761 N1 C B1013 47.163 21.064 63.703 1.00 0.00 N ATOM 21762 C2 C B1013 47.849 21.955 64.521 1.00 0.00 C ATOM 21763 O2 C B1013 48.050 21.646 65.701 1.00 0.00 O ATOM 21764 N3 C B1013 48.275 23.133 63.995 1.00 0.00 N ATOM 21765 C4 C B1013 48.038 23.430 62.710 1.00 0.00 C ATOM 21766 N4 C B1013 48.473 24.590 62.246 1.00 0.00 N ATOM 21767 C5 C B1013 47.333 22.527 61.849 1.00 0.00 C ATOM 21768 C6 C B1013 46.917 21.357 62.399 1.00 0.00 C ATOM 21769 H5 C B1013 47.141 22.774 60.599 1.00 0.00 H ATOM 21770 H6 C B1013 46.409 20.691 61.786 1.00 0.00 H ATOM 21771 P A B1014 42.013 20.293 65.243 1.00 0.00 P ATOM 21772 O1P A B1014 40.762 19.591 65.612 1.00 0.00 O ATOM 21773 O2P A B1014 41.910 21.238 64.110 1.00 0.00 O ATOM 21774 O5* A B1014 42.605 21.047 66.524 1.00 0.00 O ATOM 21775 C5* A B1014 42.870 20.290 67.721 1.00 0.00 C ATOM 21776 C4* A B1014 43.538 21.170 68.756 1.00 0.00 C ATOM 21777 O4* A B1014 44.873 21.522 68.286 1.00 0.00 O ATOM 21778 C3* A B1014 42.872 22.523 69.011 1.00 0.00 C ATOM 21779 O3* A B1014 41.828 22.413 69.929 1.00 0.00 O ATOM 21780 C2* A B1014 44.035 23.358 69.537 1.00 0.00 C ATOM 21781 O2* A B1014 44.328 23.023 70.881 1.00 0.00 O ATOM 21782 C1* A B1014 45.194 22.843 68.690 1.00 0.00 C ATOM 21783 N9 A B1014 45.443 23.650 67.464 1.00 0.00 N ATOM 21784 C8 A B1014 45.160 23.344 66.153 1.00 0.00 C ATOM 21785 N7 A B1014 45.508 24.271 65.310 1.00 0.00 N ATOM 21786 C5 A B1014 46.062 25.260 66.109 1.00 0.00 C ATOM 21787 C6 A B1014 46.623 26.513 65.812 1.00 0.00 C ATOM 21788 N6 A B1014 46.722 27.005 64.568 1.00 0.00 N ATOM 21789 N1 A B1014 47.081 27.245 66.844 1.00 0.00 N ATOM 21790 C2 A B1014 46.981 26.753 68.078 1.00 0.00 C ATOM 21791 N3 A B1014 46.478 25.605 68.473 1.00 0.00 N ATOM 21792 C4 A B1014 46.026 24.890 67.420 1.00 0.00 C ATOM 21793 P U B1015 40.526 23.382 69.757 1.00 0.00 P ATOM 21794 O1P U B1015 39.401 22.877 70.576 1.00 0.00 O ATOM 21795 O2P U B1015 40.242 23.573 68.318 1.00 0.00 O ATOM 21796 O5* U B1015 41.083 24.745 70.386 1.00 0.00 O ATOM 21797 C5* U B1015 41.506 24.757 71.762 1.00 0.00 C ATOM 21798 C4* U B1015 42.108 26.106 72.107 1.00 0.00 C ATOM 21799 O4* U B1015 43.356 26.265 71.373 1.00 0.00 O ATOM 21800 C3* U B1015 41.283 27.328 71.698 1.00 0.00 C ATOM 21801 O3* U B1015 40.316 27.632 72.651 1.00 0.00 O ATOM 21802 C2* U B1015 42.353 28.411 71.578 1.00 0.00 C ATOM 21803 O2* U B1015 42.758 28.862 72.858 1.00 0.00 O ATOM 21804 C1* U B1015 43.522 27.622 70.995 1.00 0.00 C ATOM 21805 N1 U B1015 43.601 27.679 69.509 1.00 0.00 N ATOM 21806 C2 U B1015 44.041 28.854 68.948 1.00 0.00 C ATOM 21807 O2 U B1015 44.364 29.825 69.613 1.00 0.00 O ATOM 21808 N3 U B1015 44.102 28.868 67.569 1.00 0.00 N ATOM 21809 C4 U B1015 43.765 27.833 66.724 1.00 0.00 C ATOM 21810 O4 U B1015 43.859 27.965 65.501 1.00 0.00 O ATOM 21811 C5 U B1015 43.314 26.640 67.404 1.00 0.00 C ATOM 21812 C6 U B1015 43.247 26.599 68.744 1.00 0.00 C ATOM 21813 P G B1016 38.890 28.252 72.150 1.00 0.00 P ATOM 21814 O1P G B1016 37.886 28.161 73.235 1.00 0.00 O ATOM 21815 O2P G B1016 38.507 27.628 70.865 1.00 0.00 O ATOM 21816 O5* G B1016 39.293 29.782 71.913 1.00 0.00 O ATOM 21817 C5* G B1016 39.785 30.554 73.024 1.00 0.00 C ATOM 21818 C4* G B1016 40.221 31.925 72.548 1.00 0.00 C ATOM 21819 O4* G B1016 41.398 31.779 71.703 1.00 0.00 O ATOM 21820 C3* G B1016 39.222 32.672 71.664 1.00 0.00 C ATOM 21821 O3* G B1016 38.273 33.353 72.422 1.00 0.00 O ATOM 21822 C2* G B1016 40.133 33.612 70.877 1.00 0.00 C ATOM 21823 O2* G B1016 40.541 34.706 71.683 1.00 0.00 O ATOM 21824 C1* G B1016 41.363 32.738 70.660 1.00 0.00 C ATOM 21825 N9 G B1016 41.356 32.007 69.362 1.00 0.00 N ATOM 21826 C8 G B1016 41.129 30.672 69.118 1.00 0.00 C ATOM 21827 N7 G B1016 41.192 30.342 67.848 1.00 0.00 N ATOM 21828 C5 G B1016 41.485 31.547 67.209 1.00 0.00 C ATOM 21829 C6 G B1016 41.677 31.830 65.832 1.00 0.00 C ATOM 21830 O6 G B1016 41.628 31.059 64.875 1.00 0.00 O ATOM 21831 N1 G B1016 41.957 33.186 65.619 1.00 0.00 N ATOM 21832 C2 G B1016 42.038 34.147 66.606 1.00 0.00 C ATOM 21833 N2 G B1016 42.312 35.388 66.201 1.00 0.00 N ATOM 21834 N3 G B1016 41.856 33.883 67.901 1.00 0.00 N ATOM 21835 C4 G B1016 41.589 32.569 68.124 1.00 0.00 C ATOM 21836 P G B1017 36.754 33.493 71.841 1.00 0.00 P ATOM 21837 O1P G B1017 35.829 33.903 72.917 1.00 0.00 O ATOM 21838 O2P G B1017 36.389 32.253 71.116 1.00 0.00 O ATOM 21839 O5* G B1017 36.940 34.695 70.799 1.00 0.00 O ATOM 21840 C5* G B1017 37.385 35.973 71.283 1.00 0.00 C ATOM 21841 C4* G B1017 37.612 36.919 70.122 1.00 0.00 C ATOM 21842 O4* G B1017 38.751 36.446 69.345 1.00 0.00 O ATOM 21843 C3* G B1017 36.481 36.999 69.096 1.00 0.00 C ATOM 21844 O3* G B1017 35.491 37.895 69.498 1.00 0.00 O ATOM 21845 C2* G B1017 37.215 37.456 67.840 1.00 0.00 C ATOM 21846 O2* G B1017 37.520 38.837 67.911 1.00 0.00 O ATOM 21847 C1* G B1017 38.538 36.705 67.968 1.00 0.00 C ATOM 21848 N9 G B1017 38.557 35.401 67.248 1.00 0.00 N ATOM 21849 C8 G B1017 38.493 34.122 67.758 1.00 0.00 C ATOM 21850 N7 G B1017 38.535 33.182 66.847 1.00 0.00 N ATOM 21851 C5 G B1017 38.631 33.887 65.648 1.00 0.00 C ATOM 21852 C6 G B1017 38.714 33.410 64.312 1.00 0.00 C ATOM 21853 O6 G B1017 38.716 32.252 63.907 1.00 0.00 O ATOM 21854 N1 G B1017 38.800 34.469 63.399 1.00 0.00 N ATOM 21855 C2 G B1017 38.806 35.809 63.728 1.00 0.00 C ATOM 21856 N2 G B1017 38.896 36.665 62.709 1.00 0.00 N ATOM 21857 N3 G B1017 38.731 36.256 64.981 1.00 0.00 N ATOM 21858 C4 G B1017 38.648 35.240 65.883 1.00 0.00 C ATOM 21859 P U B1018 33.937 37.578 69.102 1.00 0.00 P ATOM 21860 O1P U B1018 33.024 38.417 69.910 1.00 0.00 O ATOM 21861 O2P U B1018 33.702 36.119 69.173 1.00 0.00 O ATOM 21862 O5* U B1018 33.909 38.058 67.578 1.00 0.00 O ATOM 21863 C5* U B1018 34.207 39.434 67.274 1.00 0.00 C ATOM 21864 C4* U B1018 34.246 39.636 65.774 1.00 0.00 C ATOM 21865 O4* U B1018 35.396 38.924 65.231 1.00 0.00 O ATOM 21866 C3* U B1018 33.061 39.068 64.992 1.00 0.00 C ATOM 21867 O3* U B1018 31.984 39.954 64.978 1.00 0.00 O ATOM 21868 C2* U B1018 33.666 38.853 63.607 1.00 0.00 C ATOM 21869 O2* U B1018 33.786 40.083 62.913 1.00 0.00 O ATOM 21870 C1* U B1018 35.079 38.396 63.953 1.00 0.00 C ATOM 21871 N1 U B1018 35.233 36.916 64.016 1.00 0.00 N ATOM 21872 C2 U B1018 35.247 36.237 62.822 1.00 0.00 C ATOM 21873 O2 U B1018 35.142 36.795 61.743 1.00 0.00 O ATOM 21874 N3 U B1018 35.390 34.867 62.919 1.00 0.00 N ATOM 21875 C4 U B1018 35.516 34.137 64.085 1.00 0.00 C ATOM 21876 O4 U B1018 35.637 32.912 64.047 1.00 0.00 O ATOM 21877 C5 U B1018 35.488 34.937 65.285 1.00 0.00 C ATOM 21878 C6 U B1018 35.348 36.272 65.220 1.00 0.00 C ATOM 21879 P U B1019 30.469 39.349 64.986 1.00 0.00 P ATOM 21880 O1P U B1019 29.497 40.407 65.337 1.00 0.00 O ATOM 21881 O2P U B1019 30.430 38.133 65.828 1.00 0.00 O ATOM 21882 O5* U B1019 30.299 38.948 63.447 1.00 0.00 O ATOM 21883 C5* U B1019 30.395 39.971 62.442 1.00 0.00 C ATOM 21884 C4* U B1019 30.331 39.354 61.058 1.00 0.00 C ATOM 21885 O4* U B1019 31.536 38.565 60.839 1.00 0.00 O ATOM 21886 C3* U B1019 29.192 38.362 60.829 1.00 0.00 C ATOM 21887 O3* U B1019 28.010 39.012 60.478 1.00 0.00 O ATOM 21888 C2* U B1019 29.744 37.500 59.698 1.00 0.00 C ATOM 21889 O2* U B1019 29.667 38.182 58.458 1.00 0.00 O ATOM 21890 C1* U B1019 31.221 37.416 60.065 1.00 0.00 C ATOM 21891 N1 U B1019 31.569 36.211 60.869 1.00 0.00 N ATOM 21892 C2 U B1019 31.609 35.008 60.207 1.00 0.00 C ATOM 21893 O2 U B1019 31.376 34.898 59.016 1.00 0.00 O ATOM 21894 N3 U B1019 31.937 33.915 60.984 1.00 0.00 N ATOM 21895 C4 U B1019 32.217 33.923 62.335 1.00 0.00 C ATOM 21896 O4 U B1019 32.498 32.877 62.925 1.00 0.00 O ATOM 21897 C5 U B1019 32.149 35.232 62.943 1.00 0.00 C ATOM 21898 C6 U B1019 31.834 36.312 62.210 1.00 0.00 C ATOM 21899 P A B1020 26.266 38.385 60.045 1.00 0.00 P ATOM 21900 O1P A B1020 26.063 38.121 58.604 1.00 0.00 O ATOM 21901 O2P A B1020 25.513 39.532 60.601 1.00 0.00 O ATOM 21902 O5* A B1020 25.711 36.847 60.928 1.00 0.00 O ATOM 21903 C5* A B1020 24.770 35.899 60.238 1.00 0.00 C ATOM 21904 C4* A B1020 25.680 34.589 59.846 1.00 0.00 C ATOM 21905 O4* A B1020 26.817 34.814 60.727 1.00 0.00 O ATOM 21906 C3* A B1020 25.302 33.127 60.106 1.00 0.00 C ATOM 21907 O3* A B1020 24.408 32.303 59.125 1.00 0.00 O ATOM 21908 C2* A B1020 26.670 32.477 60.323 1.00 0.00 C ATOM 21909 O2* A B1020 27.344 32.296 59.090 1.00 0.00 O ATOM 21910 C1* A B1020 27.414 33.580 61.079 1.00 0.00 C ATOM 21911 N9 A B1020 27.374 33.435 62.723 1.00 0.00 N ATOM 21912 C8 A B1020 27.536 34.420 63.672 1.00 0.00 C ATOM 21913 N7 A B1020 27.259 34.035 64.879 1.00 0.00 N ATOM 21914 C5 A B1020 26.889 32.709 64.735 1.00 0.00 C ATOM 21915 C6 A B1020 26.476 31.733 65.660 1.00 0.00 C ATOM 21916 N6 A B1020 26.363 31.963 66.973 1.00 0.00 N ATOM 21917 N1 A B1020 26.187 30.510 65.180 1.00 0.00 N ATOM 21918 C2 A B1020 26.298 30.291 63.873 1.00 0.00 C ATOM 21919 N3 A B1020 26.669 31.120 62.916 1.00 0.00 N ATOM 21920 C4 A B1020 26.956 32.333 63.426 1.00 0.00 C ATOM 21921 P A B1021 24.950 30.563 58.777 1.00 0.00 P ATOM 21922 O1P A B1021 25.484 29.910 59.995 1.00 0.00 O ATOM 21923 O2P A B1021 25.817 30.506 57.579 1.00 0.00 O ATOM 21924 O5* A B1021 23.354 29.869 58.267 1.00 0.00 O ATOM 21925 C5* A B1021 22.652 30.274 57.102 1.00 0.00 C ATOM 21926 C4* A B1021 21.165 30.497 57.671 1.00 0.00 C ATOM 21927 O4* A B1021 20.917 31.131 58.958 1.00 0.00 O ATOM 21928 C3* A B1021 19.924 29.638 57.439 1.00 0.00 C ATOM 21929 O3* A B1021 19.621 28.651 56.353 1.00 0.00 O ATOM 21930 C2* A B1021 19.594 29.159 58.853 1.00 0.00 C ATOM 21931 O2* A B1021 20.481 28.128 59.256 1.00 0.00 O ATOM 21932 C1* A B1021 19.946 30.388 59.682 1.00 0.00 C ATOM 21933 N9 A B1021 18.661 31.392 60.012 1.00 0.00 N ATOM 21934 C8 A B1021 18.636 32.507 60.811 1.00 0.00 C ATOM 21935 N7 A B1021 17.544 33.198 60.720 1.00 0.00 N ATOM 21936 C5 A B1021 16.784 32.503 59.793 1.00 0.00 C ATOM 21937 C6 A B1021 15.508 32.724 59.254 1.00 0.00 C ATOM 21938 N6 A B1021 14.733 33.766 59.593 1.00 0.00 N ATOM 21939 N1 A B1021 15.051 31.836 58.353 1.00 0.00 N ATOM 21940 C2 A B1021 15.821 30.806 58.024 1.00 0.00 C ATOM 21941 N3 A B1021 17.027 30.491 58.453 1.00 0.00 N ATOM 21942 C4 A B1021 17.456 31.401 59.357 1.00 0.00 C ATOM 21943 P G B1022 17.852 28.919 55.884 1.00 0.00 P ATOM 21944 O1P G B1022 17.663 28.348 54.532 1.00 0.00 O ATOM 21945 O2P G B1022 17.494 30.344 56.039 1.00 0.00 O ATOM 21946 O5* G B1022 16.979 27.905 57.185 1.00 0.00 O ATOM 21947 C5* G B1022 16.047 26.884 57.815 1.00 0.00 C ATOM 21948 C4* G B1022 14.470 27.316 58.292 1.00 0.00 C ATOM 21949 O4* G B1022 14.326 27.382 59.741 1.00 0.00 O ATOM 21950 C3* G B1022 14.218 28.753 57.833 1.00 0.00 C ATOM 21951 O3* G B1022 14.069 28.782 56.282 1.00 0.00 O ATOM 21952 C2* G B1022 13.133 29.215 58.801 1.00 0.00 C ATOM 21953 O2* G B1022 11.877 28.667 58.451 1.00 0.00 O ATOM 21954 C1* G B1022 13.569 28.529 60.095 1.00 0.00 C ATOM 21955 N9 G B1022 14.545 29.525 61.157 1.00 0.00 N ATOM 21956 C8 G B1022 15.812 29.297 61.640 1.00 0.00 C ATOM 21957 N7 G B1022 16.245 30.221 62.463 1.00 0.00 N ATOM 21958 C5 G B1022 15.196 31.132 62.519 1.00 0.00 C ATOM 21959 C6 G B1022 15.078 32.346 63.244 1.00 0.00 C ATOM 21960 O6 G B1022 15.889 32.876 63.996 1.00 0.00 O ATOM 21961 N1 G B1022 13.835 32.957 63.017 1.00 0.00 N ATOM 21962 C2 G B1022 12.838 32.461 62.200 1.00 0.00 C ATOM 21963 N2 G B1022 11.731 33.196 62.117 1.00 0.00 N ATOM 21964 N3 G B1022 12.956 31.323 61.520 1.00 0.00 N ATOM 21965 C4 G B1022 14.149 30.716 61.724 1.00 0.00 C ATOM 21966 P U B1023 14.684 27.427 55.172 1.00 0.00 P ATOM 21967 O1P U B1023 13.501 26.690 54.671 1.00 0.00 O ATOM 21968 O2P U B1023 15.812 26.589 55.637 1.00 0.00 O ATOM 21969 O5* U B1023 15.421 28.680 54.013 1.00 0.00 O ATOM 21970 C5* U B1023 15.446 29.888 53.102 1.00 0.00 C ATOM 21971 C4* U B1023 13.776 30.121 52.711 1.00 0.00 C ATOM 21972 O4* U B1023 13.138 29.626 53.925 1.00 0.00 O ATOM 21973 C3* U B1023 12.986 29.461 51.585 1.00 0.00 C ATOM 21974 O3* U B1023 13.597 29.444 50.109 1.00 0.00 O ATOM 21975 C2* U B1023 12.667 28.090 52.177 1.00 0.00 C ATOM 21976 O2* U B1023 13.805 27.246 52.142 1.00 0.00 O ATOM 21977 C1* U B1023 12.420 28.438 53.639 1.00 0.00 C ATOM 21978 N1 U B1023 10.804 28.683 54.042 1.00 0.00 N ATOM 21979 C2 U B1023 10.137 27.625 54.606 1.00 0.00 C ATOM 21980 O2 U B1023 10.640 26.522 54.751 1.00 0.00 O ATOM 21981 N3 U B1023 8.841 27.890 55.008 1.00 0.00 N ATOM 21982 C4 U B1023 8.178 29.090 54.896 1.00 0.00 C ATOM 21983 O4 U B1023 7.016 29.211 55.294 1.00 0.00 O ATOM 21984 C5 U B1023 8.964 30.142 54.289 1.00 0.00 C ATOM 21985 C6 U B1023 10.223 29.913 53.884 1.00 0.00 C ATOM 21986 P G B1024 15.032 28.429 49.451 1.00 0.00 P ATOM 21987 O1P G B1024 14.758 26.974 49.487 1.00 0.00 O ATOM 21988 O2P G B1024 16.266 28.868 50.134 1.00 0.00 O ATOM 21989 O5* G B1024 15.053 28.954 47.640 1.00 0.00 O ATOM 21990 C5* G B1024 15.957 29.743 46.703 1.00 0.00 C ATOM 21991 C4* G B1024 15.698 30.396 45.188 1.00 0.00 C ATOM 21992 O4* G B1024 15.729 29.652 43.935 1.00 0.00 O ATOM 21993 C3* G B1024 15.301 31.807 44.773 1.00 0.00 C ATOM 21994 O3* G B1024 15.750 32.853 45.843 1.00 0.00 O ATOM 21995 C2* G B1024 16.012 31.958 43.430 1.00 0.00 C ATOM 21996 O2* G B1024 17.398 32.185 43.617 1.00 0.00 O ATOM 21997 C1* G B1024 15.871 30.551 42.851 1.00 0.00 C ATOM 21998 N9 G B1024 14.540 30.341 41.798 1.00 0.00 N ATOM 21999 C8 G B1024 13.375 31.074 41.708 1.00 0.00 C ATOM 22000 N7 G B1024 12.594 30.715 40.720 1.00 0.00 N ATOM 22001 C5 G B1024 13.285 29.664 40.111 1.00 0.00 C ATOM 22002 C6 G B1024 12.936 28.878 38.987 1.00 0.00 C ATOM 22003 O6 G B1024 11.932 28.936 38.287 1.00 0.00 O ATOM 22004 N1 G B1024 13.929 27.924 38.705 1.00 0.00 N ATOM 22005 C2 G B1024 15.101 27.764 39.416 1.00 0.00 C ATOM 22006 N2 G B1024 15.918 26.797 38.993 1.00 0.00 N ATOM 22007 N3 G B1024 15.425 28.505 40.471 1.00 0.00 N ATOM 22008 C4 G B1024 14.473 29.435 40.759 1.00 0.00 C ATOM 22009 P G B1025 17.306 33.838 45.692 1.00 0.00 P ATOM 22010 O1P G B1025 17.385 34.788 46.827 1.00 0.00 O ATOM 22011 O2P G B1025 17.493 34.427 44.348 1.00 0.00 O ATOM 22012 O5* G B1025 18.457 32.425 45.931 1.00 0.00 O ATOM 22013 C5* G B1025 19.882 32.126 45.680 1.00 0.00 C ATOM 22014 C4* G B1025 20.747 33.494 45.679 1.00 0.00 C ATOM 22015 O4* G B1025 19.897 34.288 46.561 1.00 0.00 O ATOM 22016 C3* G B1025 22.143 33.658 46.283 1.00 0.00 C ATOM 22017 O3* G B1025 23.144 32.556 46.631 1.00 0.00 O ATOM 22018 C2* G B1025 22.117 35.106 46.768 1.00 0.00 C ATOM 22019 O2* G B1025 22.257 36.004 45.677 1.00 0.00 O ATOM 22020 C1* G B1025 20.681 35.239 47.262 1.00 0.00 C ATOM 22021 N9 G B1025 20.479 34.977 48.921 1.00 0.00 N ATOM 22022 C8 G B1025 19.647 34.091 49.565 1.00 0.00 C ATOM 22023 N7 G B1025 19.802 34.066 50.872 1.00 0.00 N ATOM 22024 C5 G B1025 20.808 35.004 51.104 1.00 0.00 C ATOM 22025 C6 G B1025 21.410 35.414 52.320 1.00 0.00 C ATOM 22026 O6 G B1025 21.176 35.034 53.464 1.00 0.00 O ATOM 22027 N1 G B1025 22.396 36.387 52.096 1.00 0.00 N ATOM 22028 C2 G B1025 22.750 36.896 50.863 1.00 0.00 C ATOM 22029 N2 G B1025 23.714 37.819 50.860 1.00 0.00 N ATOM 22030 N3 G B1025 22.186 36.506 49.724 1.00 0.00 N ATOM 22031 C4 G B1025 21.229 35.561 49.919 1.00 0.00 C ATOM 22032 P G B1026 24.895 33.044 46.447 1.00 0.00 P ATOM 22033 O1P G B1026 25.073 34.043 45.369 1.00 0.00 O ATOM 22034 O2P G B1026 25.796 31.872 46.390 1.00 0.00 O ATOM 22035 O5* G B1026 24.881 33.829 48.085 1.00 0.00 O ATOM 22036 C5* G B1026 24.701 35.109 48.706 1.00 0.00 C ATOM 22037 C4* G B1026 25.633 35.320 50.012 1.00 0.00 C ATOM 22038 O4* G B1026 25.859 36.649 50.550 1.00 0.00 O ATOM 22039 C3* G B1026 25.567 34.417 51.246 1.00 0.00 C ATOM 22040 O3* G B1026 25.717 32.905 51.100 1.00 0.00 O ATOM 22041 C2* G B1026 26.602 35.078 52.168 1.00 0.00 C ATOM 22042 O2* G B1026 27.918 34.749 51.761 1.00 0.00 O ATOM 22043 C1* G B1026 26.387 36.555 51.863 1.00 0.00 C ATOM 22044 N9 G B1026 25.282 37.383 52.968 1.00 0.00 N ATOM 22045 C8 G B1026 24.535 38.523 52.759 1.00 0.00 C ATOM 22046 N7 G B1026 23.714 38.808 53.742 1.00 0.00 N ATOM 22047 C5 G B1026 23.932 37.787 54.667 1.00 0.00 C ATOM 22048 C6 G B1026 23.332 37.561 55.927 1.00 0.00 C ATOM 22049 O6 G B1026 22.473 38.218 56.505 1.00 0.00 O ATOM 22050 N1 G B1026 23.844 36.405 56.534 1.00 0.00 N ATOM 22051 C2 G B1026 24.810 35.579 55.988 1.00 0.00 C ATOM 22052 N2 G B1026 25.164 34.527 56.728 1.00 0.00 N ATOM 22053 N3 G B1026 25.370 35.796 54.801 1.00 0.00 N ATOM 22054 C4 G B1026 24.881 36.913 54.201 1.00 0.00 C ATOM 22055 P A B1027 24.597 31.900 52.155 1.00 0.00 P ATOM 22056 O1P A B1027 24.890 30.452 52.059 1.00 0.00 O ATOM 22057 O2P A B1027 23.196 32.295 51.894 1.00 0.00 O ATOM 22058 O5* A B1027 25.261 32.535 53.736 1.00 0.00 O ATOM 22059 C5* A B1027 26.211 32.305 54.815 1.00 0.00 C ATOM 22060 C4* A B1027 27.617 33.087 54.566 1.00 0.00 C ATOM 22061 O4* A B1027 27.393 34.420 54.017 1.00 0.00 O ATOM 22062 C3* A B1027 28.816 33.269 55.500 1.00 0.00 C ATOM 22063 O3* A B1027 29.468 32.507 56.510 1.00 0.00 O ATOM 22064 C2* A B1027 29.653 34.304 54.756 1.00 0.00 C ATOM 22065 O2* A B1027 30.339 33.703 53.670 1.00 0.00 O ATOM 22066 C1* A B1027 28.574 35.197 54.152 1.00 0.00 C ATOM 22067 N9 A B1027 28.227 36.493 55.010 1.00 0.00 N ATOM 22068 C8 A B1027 28.018 36.594 56.366 1.00 0.00 C ATOM 22069 N7 A B1027 27.860 37.810 56.785 1.00 0.00 N ATOM 22070 C5 A B1027 27.973 38.578 55.634 1.00 0.00 C ATOM 22071 C6 A B1027 27.897 39.963 55.410 1.00 0.00 C ATOM 22072 N6 A B1027 27.683 40.861 56.383 1.00 0.00 N ATOM 22073 N1 A B1027 28.051 40.393 54.147 1.00 0.00 N ATOM 22074 C2 A B1027 28.265 39.498 53.181 1.00 0.00 C ATOM 22075 N3 A B1027 28.349 38.187 53.273 1.00 0.00 N ATOM 22076 C4 A B1027 28.195 37.781 54.549 1.00 0.00 C ATOM 22077 P A B1028 29.592 33.870 57.768 1.00 0.00 P ATOM 22078 O1P A B1028 30.036 33.053 58.915 1.00 0.00 O ATOM 22079 O2P A B1028 28.360 34.663 57.976 1.00 0.00 O ATOM 22080 O5* A B1028 30.884 35.097 57.101 1.00 0.00 O ATOM 22081 C5* A B1028 31.661 36.409 57.549 1.00 0.00 C ATOM 22082 C4* A B1028 33.388 36.458 57.952 1.00 0.00 C ATOM 22083 O4* A B1028 33.663 35.393 56.998 1.00 0.00 O ATOM 22084 C3* A B1028 34.317 37.592 57.516 1.00 0.00 C ATOM 22085 O3* A B1028 34.785 38.733 58.671 1.00 0.00 O ATOM 22086 C2* A B1028 35.552 36.829 57.047 1.00 0.00 C ATOM 22087 O2* A B1028 36.308 36.369 58.152 1.00 0.00 O ATOM 22088 C1* A B1028 34.929 35.603 56.396 1.00 0.00 C ATOM 22089 N9 A B1028 34.710 35.725 54.743 1.00 0.00 N ATOM 22090 C8 A B1028 33.534 35.665 54.030 1.00 0.00 C ATOM 22091 N7 A B1028 33.704 35.636 52.738 1.00 0.00 N ATOM 22092 C5 A B1028 35.078 35.682 52.581 1.00 0.00 C ATOM 22093 C6 A B1028 35.903 35.685 51.444 1.00 0.00 C ATOM 22094 N6 A B1028 35.430 35.637 50.188 1.00 0.00 N ATOM 22095 N1 A B1028 37.232 35.736 51.638 1.00 0.00 N ATOM 22096 C2 A B1028 37.696 35.782 52.886 1.00 0.00 C ATOM 22097 N3 A B1028 37.026 35.789 54.021 1.00 0.00 N ATOM 22098 C4 A B1028 35.700 35.735 53.797 1.00 0.00 C ATOM 22099 P A B1029 36.554 39.110 59.394 1.00 0.00 P ATOM 22100 O1P A B1029 37.424 39.397 58.237 1.00 0.00 O ATOM 22101 O2P A B1029 36.927 37.930 60.207 1.00 0.00 O ATOM 22102 O5* A B1029 36.824 40.593 60.607 1.00 0.00 O ATOM 22103 C5* A B1029 37.564 41.727 61.415 1.00 0.00 C ATOM 22104 C4* A B1029 39.006 41.628 62.359 1.00 0.00 C ATOM 22105 O4* A B1029 39.693 40.426 61.892 1.00 0.00 O ATOM 22106 C3* A B1029 40.136 42.617 62.640 1.00 0.00 C ATOM 22107 O3* A B1029 40.330 43.956 63.465 1.00 0.00 O ATOM 22108 C2* A B1029 41.236 41.703 63.180 1.00 0.00 C ATOM 22109 O2* A B1029 40.965 41.320 64.519 1.00 0.00 O ATOM 22110 C1* A B1029 41.047 40.455 62.319 1.00 0.00 C ATOM 22111 N9 A B1029 42.029 40.387 60.963 1.00 0.00 N ATOM 22112 C8 A B1029 43.405 40.405 60.902 1.00 0.00 C ATOM 22113 N7 A B1029 43.876 40.518 59.701 1.00 0.00 N ATOM 22114 C5 A B1029 42.744 40.582 58.900 1.00 0.00 C ATOM 22115 C6 A B1029 42.574 40.709 57.514 1.00 0.00 C ATOM 22116 N6 A B1029 43.589 40.792 56.645 1.00 0.00 N ATOM 22117 N1 A B1029 41.308 40.733 57.047 1.00 0.00 N ATOM 22118 C2 A B1029 40.298 40.646 57.912 1.00 0.00 C ATOM 22119 N3 A B1029 40.340 40.528 59.218 1.00 0.00 N ATOM 22120 C4 A B1029 41.614 40.498 59.660 1.00 0.00 C ATOM 22121 P C B1030 41.092 45.506 62.633 1.00 0.00 P ATOM 22122 O1P C B1030 39.849 46.307 62.675 1.00 0.00 O ATOM 22123 O2P C B1030 41.644 45.238 61.286 1.00 0.00 O ATOM 22124 O5* C B1030 42.210 46.194 63.549 1.00 0.00 O ATOM 22125 C5* C B1030 43.464 45.516 63.748 1.00 0.00 C ATOM 22126 C4* C B1030 44.411 46.400 64.535 1.00 0.00 C ATOM 22127 O4* C B1030 44.784 47.543 63.715 1.00 0.00 O ATOM 22128 C3* C B1030 43.837 47.027 65.806 1.00 0.00 C ATOM 22129 O3* C B1030 43.914 46.154 66.886 1.00 0.00 O ATOM 22130 C2* C B1030 44.718 48.262 65.979 1.00 0.00 C ATOM 22131 O2* C B1030 45.988 47.903 66.492 1.00 0.00 O ATOM 22132 C1* C B1030 44.932 48.694 64.531 1.00 0.00 C ATOM 22133 N1 C B1030 43.956 49.719 64.063 1.00 0.00 N ATOM 22134 C2 C B1030 44.113 51.022 64.525 1.00 0.00 C ATOM 22135 O2 C B1030 45.046 51.272 65.299 1.00 0.00 O ATOM 22136 N3 C B1030 43.235 51.971 64.112 1.00 0.00 N ATOM 22137 C4 C B1030 42.237 51.659 63.275 1.00 0.00 C ATOM 22138 N4 C B1030 41.408 52.621 62.899 1.00 0.00 N ATOM 22139 C5 C B1030 42.061 50.324 62.786 1.00 0.00 C ATOM 22140 C6 C B1030 42.948 49.389 63.213 1.00 0.00 C ATOM 22141 P G B1031 42.732 46.195 68.015 1.00 0.00 P ATOM 22142 O1P G B1031 42.789 44.981 68.859 1.00 0.00 O ATOM 22143 O2P G B1031 41.435 46.461 67.357 1.00 0.00 O ATOM 22144 O5* G B1031 43.180 47.469 68.872 1.00 0.00 O ATOM 22145 C5* G B1031 44.461 47.458 69.526 1.00 0.00 C ATOM 22146 C4* G B1031 44.728 48.805 70.169 1.00 0.00 C ATOM 22147 O4* G B1031 44.902 49.801 69.121 1.00 0.00 O ATOM 22148 C3* G B1031 43.595 49.369 71.028 1.00 0.00 C ATOM 22149 O3* G B1031 43.635 48.857 72.323 1.00 0.00 O ATOM 22150 C2* G B1031 43.873 50.870 70.978 1.00 0.00 C ATOM 22151 O2* G B1031 44.956 51.210 71.824 1.00 0.00 O ATOM 22152 C1* G B1031 44.363 51.042 69.542 1.00 0.00 C ATOM 22153 N9 G B1031 43.284 51.423 68.584 1.00 0.00 N ATOM 22154 C8 G B1031 42.663 50.659 67.624 1.00 0.00 C ATOM 22155 N7 G B1031 41.748 51.302 66.941 1.00 0.00 N ATOM 22156 C5 G B1031 41.765 52.584 67.488 1.00 0.00 C ATOM 22157 C6 G B1031 40.993 53.727 67.157 1.00 0.00 C ATOM 22158 O6 G B1031 40.120 53.848 66.303 1.00 0.00 O ATOM 22159 N1 G B1031 41.336 54.822 67.964 1.00 0.00 N ATOM 22160 C2 G B1031 42.293 54.816 68.957 1.00 0.00 C ATOM 22161 N2 G B1031 42.470 55.963 69.613 1.00 0.00 N ATOM 22162 N3 G B1031 43.016 53.741 69.264 1.00 0.00 N ATOM 22163 C4 G B1031 42.700 52.669 68.492 1.00 0.00 C ATOM 22164 P A B1032 41.831 48.519 72.643 1.00 0.00 P ATOM 22165 O1P A B1032 41.403 48.981 73.982 1.00 0.00 O ATOM 22166 O2P A B1032 41.597 47.087 72.351 1.00 0.00 O ATOM 22167 O5* A B1032 41.048 49.545 71.305 1.00 0.00 O ATOM 22168 C5* A B1032 40.454 49.707 69.958 1.00 0.00 C ATOM 22169 C4* A B1032 39.229 50.764 69.670 1.00 0.00 C ATOM 22170 O4* A B1032 39.112 51.692 68.552 1.00 0.00 O ATOM 22171 C3* A B1032 37.839 50.779 70.307 1.00 0.00 C ATOM 22172 O3* A B1032 37.742 49.971 71.587 1.00 0.00 O ATOM 22173 C2* A B1032 37.423 52.238 70.136 1.00 0.00 C ATOM 22174 O2* A B1032 38.087 53.064 71.080 1.00 0.00 O ATOM 22175 C1* A B1032 38.009 52.561 68.769 1.00 0.00 C ATOM 22176 N9 A B1032 36.929 52.385 67.477 1.00 0.00 N ATOM 22177 C8 A B1032 36.797 51.324 66.613 1.00 0.00 C ATOM 22178 N7 A B1032 35.757 51.400 65.838 1.00 0.00 N ATOM 22179 C5 A B1032 35.151 52.590 66.210 1.00 0.00 C ATOM 22180 C6 A B1032 33.988 53.236 65.765 1.00 0.00 C ATOM 22181 N6 A B1032 33.202 52.759 64.791 1.00 0.00 N ATOM 22182 N1 A B1032 33.668 54.403 66.348 1.00 0.00 N ATOM 22183 C2 A B1032 34.452 54.878 67.311 1.00 0.00 C ATOM 22184 N3 A B1032 35.553 54.364 67.813 1.00 0.00 N ATOM 22185 C4 A B1032 35.856 53.192 67.208 1.00 0.00 C ATOM 22186 P U B1033 36.218 50.130 72.570 1.00 0.00 P ATOM 22187 O1P U B1033 36.433 49.518 73.904 1.00 0.00 O ATOM 22188 O2P U B1033 34.985 49.719 71.861 1.00 0.00 O ATOM 22189 O5* U B1033 36.444 51.928 72.684 1.00 0.00 O ATOM 22190 C5* U B1033 37.811 52.055 73.119 1.00 0.00 C ATOM 22191 C4* U B1033 37.995 52.917 74.421 1.00 0.00 C ATOM 22192 O4* U B1033 36.963 53.504 75.266 1.00 0.00 O ATOM 22193 C3* U B1033 39.286 53.142 75.211 1.00 0.00 C ATOM 22194 O3* U B1033 40.600 53.048 74.410 1.00 0.00 O ATOM 22195 C2* U B1033 39.034 54.508 75.849 1.00 0.00 C ATOM 22196 O2* U B1033 39.197 55.549 74.899 1.00 0.00 O ATOM 22197 C1* U B1033 37.545 54.425 76.169 1.00 0.00 C ATOM 22198 N1 U B1033 37.188 53.924 77.746 1.00 0.00 N ATOM 22199 C2 U B1033 36.252 54.653 78.435 1.00 0.00 C ATOM 22200 O2 U B1033 35.634 55.580 77.935 1.00 0.00 O ATOM 22201 N3 U B1033 36.046 54.271 79.747 1.00 0.00 N ATOM 22202 C4 U B1033 36.684 53.244 80.409 1.00 0.00 C ATOM 22203 O4 U B1033 36.420 52.992 81.583 1.00 0.00 O ATOM 22204 C5 U B1033 37.654 52.534 79.601 1.00 0.00 C ATOM 22205 C6 U B1033 37.874 52.887 78.326 1.00 0.00 C ATOM 22206 P G B1034 41.934 53.614 75.507 1.00 0.00 P ATOM 22207 O1P G B1034 43.335 53.437 75.061 1.00 0.00 O ATOM 22208 O2P G B1034 41.621 53.097 76.858 1.00 0.00 O ATOM 22209 O5* G B1034 41.528 55.158 75.410 1.00 0.00 O ATOM 22210 C5* G B1034 42.480 56.157 75.820 1.00 0.00 C ATOM 22211 C4* G B1034 41.937 57.542 75.524 1.00 0.00 C ATOM 22212 O4* G B1034 41.870 57.724 74.082 1.00 0.00 O ATOM 22213 C3* G B1034 40.508 57.810 75.998 1.00 0.00 C ATOM 22214 O3* G B1034 40.477 58.198 77.335 1.00 0.00 O ATOM 22215 C2* G B1034 40.064 58.926 75.052 1.00 0.00 C ATOM 22216 O2* G B1034 40.640 60.167 75.433 1.00 0.00 O ATOM 22217 C1* G B1034 40.736 58.508 73.748 1.00 0.00 C ATOM 22218 N9 G B1034 39.861 57.695 72.858 1.00 0.00 N ATOM 22219 C8 G B1034 39.904 56.344 72.593 1.00 0.00 C ATOM 22220 N7 G B1034 38.980 55.937 71.753 1.00 0.00 N ATOM 22221 C5 G B1034 38.277 57.100 71.444 1.00 0.00 C ATOM 22222 C6 G B1034 37.164 57.295 70.586 1.00 0.00 C ATOM 22223 O6 G B1034 36.559 56.465 69.909 1.00 0.00 O ATOM 22224 N1 G B1034 36.762 58.637 70.562 1.00 0.00 N ATOM 22225 C2 G B1034 37.359 59.658 71.273 1.00 0.00 C ATOM 22226 N2 G B1034 36.827 60.872 71.114 1.00 0.00 N ATOM 22227 N3 G B1034 38.404 59.477 72.077 1.00 0.00 N ATOM 22228 C4 G B1034 38.806 58.178 72.113 1.00 0.00 C ATOM 22229 P U B1035 39.200 57.750 78.251 1.00 0.00 P ATOM 22230 O1P U B1035 39.513 57.924 79.687 1.00 0.00 O ATOM 22231 O2P U B1035 38.755 56.400 77.848 1.00 0.00 O ATOM 22232 O5* U B1035 38.113 58.836 77.801 1.00 0.00 O ATOM 22233 C5* U B1035 38.389 60.233 78.017 1.00 0.00 C ATOM 22234 C4* U B1035 37.291 61.079 77.404 1.00 0.00 C ATOM 22235 O4* U B1035 37.353 60.953 75.954 1.00 0.00 O ATOM 22236 C3* U B1035 35.861 60.665 77.750 1.00 0.00 C ATOM 22237 O3* U B1035 35.453 61.204 78.970 1.00 0.00 O ATOM 22238 C2* U B1035 35.072 61.221 76.567 1.00 0.00 C ATOM 22239 O2* U B1035 34.909 62.626 76.687 1.00 0.00 O ATOM 22240 C1* U B1035 36.041 60.985 75.412 1.00 0.00 C ATOM 22241 N1 U B1035 35.809 59.704 74.691 1.00 0.00 N ATOM 22242 C2 U B1035 34.715 59.641 73.857 1.00 0.00 C ATOM 22243 O2 U B1035 33.950 60.579 73.699 1.00 0.00 O ATOM 22244 N3 U B1035 34.532 58.439 73.209 1.00 0.00 N ATOM 22245 C4 U B1035 35.333 57.319 73.315 1.00 0.00 C ATOM 22246 O4 U B1035 35.069 56.294 72.680 1.00 0.00 O ATOM 22247 C5 U B1035 36.452 57.480 74.211 1.00 0.00 C ATOM 22248 C6 U B1035 36.655 58.638 74.859 1.00 0.00 C ATOM 22249 P G B1036 34.439 60.338 79.911 1.00 0.00 P ATOM 22250 O1P G B1036 34.419 60.891 81.284 1.00 0.00 O ATOM 22251 O2P G B1036 34.772 58.900 79.800 1.00 0.00 O ATOM 22252 O5* G B1036 33.041 60.630 79.191 1.00 0.00 O ATOM 22253 C5* G B1036 32.569 61.987 79.105 1.00 0.00 C ATOM 22254 C4* G B1036 31.298 62.042 78.281 1.00 0.00 C ATOM 22255 O4* G B1036 31.621 61.717 76.895 1.00 0.00 O ATOM 22256 C3* G B1036 30.215 61.030 78.654 1.00 0.00 C ATOM 22257 O3* G B1036 29.427 61.489 79.708 1.00 0.00 O ATOM 22258 C2* G B1036 29.436 60.901 77.349 1.00 0.00 C ATOM 22259 O2* G B1036 28.595 62.026 77.150 1.00 0.00 O ATOM 22260 C1* G B1036 30.550 60.993 76.311 1.00 0.00 C ATOM 22261 N9 G B1036 31.077 59.667 75.882 1.00 0.00 N ATOM 22262 C8 G B1036 32.269 59.056 76.204 1.00 0.00 C ATOM 22263 N7 G B1036 32.433 57.877 75.655 1.00 0.00 N ATOM 22264 C5 G B1036 31.265 57.694 74.915 1.00 0.00 C ATOM 22265 C6 G B1036 30.861 56.604 74.099 1.00 0.00 C ATOM 22266 O6 G B1036 31.460 55.559 73.861 1.00 0.00 O ATOM 22267 N1 G B1036 29.600 56.830 73.534 1.00 0.00 N ATOM 22268 C2 G B1036 28.830 57.960 73.725 1.00 0.00 C ATOM 22269 N2 G B1036 27.654 57.983 73.094 1.00 0.00 N ATOM 22270 N3 G B1036 29.211 58.982 74.490 1.00 0.00 N ATOM 22271 C4 G B1036 30.433 58.779 75.048 1.00 0.00 C ATOM 22272 P G B1037 28.839 60.406 80.777 1.00 0.00 P ATOM 22273 O1P G B1037 28.357 61.097 81.994 1.00 0.00 O ATOM 22274 O2P G B1037 29.840 59.337 80.998 1.00 0.00 O ATOM 22275 O5* G B1037 27.595 59.821 79.959 1.00 0.00 O ATOM 22276 C5* G B1037 26.542 60.717 79.557 1.00 0.00 C ATOM 22277 C4* G B1037 25.537 59.982 78.693 1.00 0.00 C ATOM 22278 O4* G B1037 26.172 59.633 77.427 1.00 0.00 O ATOM 22279 C3* G B1037 25.043 58.641 79.239 1.00 0.00 C ATOM 22280 O3* G B1037 23.988 58.812 80.135 1.00 0.00 O ATOM 22281 C2* G B1037 24.620 57.914 77.966 1.00 0.00 C ATOM 22282 O2* G B1037 23.379 58.407 77.494 1.00 0.00 O ATOM 22283 C1* G B1037 25.687 58.378 76.978 1.00 0.00 C ATOM 22284 N9 G B1037 26.845 57.450 76.870 1.00 0.00 N ATOM 22285 C8 G B1037 28.123 57.591 77.368 1.00 0.00 C ATOM 22286 N7 G B1037 28.915 56.581 77.094 1.00 0.00 N ATOM 22287 C5 G B1037 28.105 55.707 76.367 1.00 0.00 C ATOM 22288 C6 G B1037 28.404 54.444 75.800 1.00 0.00 C ATOM 22289 O6 G B1037 29.462 53.821 75.820 1.00 0.00 O ATOM 22290 N1 G B1037 27.287 53.898 75.149 1.00 0.00 N ATOM 22291 C2 G B1037 26.047 54.499 75.058 1.00 0.00 C ATOM 22292 N2 G B1037 25.113 53.818 74.394 1.00 0.00 N ATOM 22293 N3 G B1037 25.768 55.687 75.592 1.00 0.00 N ATOM 22294 C4 G B1037 26.841 56.229 76.228 1.00 0.00 C ATOM 22295 P G B1038 23.856 57.781 81.395 1.00 0.00 P ATOM 22296 O1P G B1038 22.929 58.331 82.410 1.00 0.00 O ATOM 22297 O2P G B1038 25.205 57.419 81.883 1.00 0.00 O ATOM 22298 O5* G B1038 23.184 56.518 80.675 1.00 0.00 O ATOM 22299 C5* G B1038 21.899 56.674 80.050 1.00 0.00 C ATOM 22300 C4* G B1038 21.514 55.395 79.329 1.00 0.00 C ATOM 22301 O4* G B1038 22.412 55.203 78.198 1.00 0.00 O ATOM 22302 C3* G B1038 21.660 54.106 80.140 1.00 0.00 C ATOM 22303 O3* G B1038 20.543 53.871 80.934 1.00 0.00 O ATOM 22304 C2* G B1038 21.835 53.058 79.040 1.00 0.00 C ATOM 22305 O2* G B1038 20.591 52.765 78.425 1.00 0.00 O ATOM 22306 C1* G B1038 22.669 53.820 78.017 1.00 0.00 C ATOM 22307 N9 G B1038 24.136 53.602 78.161 1.00 0.00 N ATOM 22308 C8 G B1038 25.096 54.454 78.661 1.00 0.00 C ATOM 22309 N7 G B1038 26.308 53.953 78.648 1.00 0.00 N ATOM 22310 C5 G B1038 26.138 52.681 78.102 1.00 0.00 C ATOM 22311 C6 G B1038 27.092 51.665 77.839 1.00 0.00 C ATOM 22312 O6 G B1038 28.306 51.677 78.033 1.00 0.00 O ATOM 22313 N1 G B1038 26.491 50.531 77.281 1.00 0.00 N ATOM 22314 C2 G B1038 25.138 50.393 77.012 1.00 0.00 C ATOM 22315 N2 G B1038 24.760 49.230 76.480 1.00 0.00 N ATOM 22316 N3 G B1038 24.246 51.350 77.262 1.00 0.00 N ATOM 22317 C4 G B1038 24.816 52.459 77.802 1.00 0.00 C ATOM 22318 P A B1039 19.581 52.349 81.235 1.00 0.00 P ATOM 22319 O1P A B1039 20.061 51.126 80.548 1.00 0.00 O ATOM 22320 O2P A B1039 18.138 52.647 81.078 1.00 0.00 O ATOM 22321 O5* A B1039 20.120 52.391 82.969 1.00 0.00 O ATOM 22322 C5* A B1039 21.171 52.663 83.911 1.00 0.00 C ATOM 22323 C4* A B1039 22.634 52.741 83.223 1.00 0.00 C ATOM 22324 O4* A B1039 23.429 53.952 83.390 1.00 0.00 O ATOM 22325 C3* A B1039 23.676 51.633 83.081 1.00 0.00 C ATOM 22326 O3* A B1039 23.290 50.254 82.469 1.00 0.00 O ATOM 22327 C2* A B1039 24.783 52.336 82.297 1.00 0.00 C ATOM 22328 O2* A B1039 24.434 52.457 80.928 1.00 0.00 O ATOM 22329 C1* A B1039 24.738 53.738 82.890 1.00 0.00 C ATOM 22330 N9 A B1039 25.834 54.006 84.141 1.00 0.00 N ATOM 22331 C8 A B1039 25.572 54.331 85.453 1.00 0.00 C ATOM 22332 N7 A B1039 26.618 54.300 86.224 1.00 0.00 N ATOM 22333 C5 A B1039 27.650 53.934 85.372 1.00 0.00 C ATOM 22334 C6 A B1039 29.022 53.724 85.581 1.00 0.00 C ATOM 22335 N6 A B1039 29.616 53.867 86.771 1.00 0.00 N ATOM 22336 N1 A B1039 29.767 53.366 84.519 1.00 0.00 N ATOM 22337 C2 A B1039 29.167 53.224 83.338 1.00 0.00 C ATOM 22338 N3 A B1039 27.900 53.392 83.023 1.00 0.00 N ATOM 22339 C4 A B1039 27.178 53.755 84.103 1.00 0.00 C ATOM 22340 P A B1040 21.938 49.306 83.284 1.00 0.00 P ATOM 22341 O1P A B1040 20.631 49.678 82.695 1.00 0.00 O ATOM 22342 O2P A B1040 22.041 49.443 84.754 1.00 0.00 O ATOM 22343 O5* A B1040 22.386 47.591 82.764 1.00 0.00 O ATOM 22344 C5* A B1040 22.616 46.132 82.890 1.00 0.00 C ATOM 22345 C4* A B1040 24.226 45.789 83.194 1.00 0.00 C ATOM 22346 O4* A B1040 24.850 47.060 82.861 1.00 0.00 O ATOM 22347 C3* A B1040 24.779 45.457 84.580 1.00 0.00 C ATOM 22348 O3* A B1040 24.816 44.083 85.290 1.00 0.00 O ATOM 22349 C2* A B1040 26.206 45.985 84.491 1.00 0.00 C ATOM 22350 O2* A B1040 27.023 45.107 83.736 1.00 0.00 O ATOM 22351 C1* A B1040 26.016 47.244 83.647 1.00 0.00 C ATOM 22352 N9 A B1040 25.838 48.662 84.534 1.00 0.00 N ATOM 22353 C8 A B1040 24.678 49.252 84.975 1.00 0.00 C ATOM 22354 N7 A B1040 24.864 50.252 85.772 1.00 0.00 N ATOM 22355 C5 A B1040 26.246 50.346 85.877 1.00 0.00 C ATOM 22356 C6 A B1040 27.087 51.217 86.588 1.00 0.00 C ATOM 22357 N6 A B1040 26.634 52.210 87.365 1.00 0.00 N ATOM 22358 N1 A B1040 28.413 51.030 86.469 1.00 0.00 N ATOM 22359 C2 A B1040 28.856 50.037 85.695 1.00 0.00 C ATOM 22360 N3 A B1040 28.170 49.167 84.991 1.00 0.00 N ATOM 22361 C4 A B1040 26.847 49.375 85.126 1.00 0.00 C ATOM 22362 P G B1041 23.849 43.053 86.466 1.00 0.00 P ATOM 22363 O1P G B1041 23.104 42.215 85.499 1.00 0.00 O ATOM 22364 O2P G B1041 23.174 43.296 87.762 1.00 0.00 O ATOM 22365 O5* G B1041 25.298 42.422 86.723 1.00 0.00 O ATOM 22366 C5* G B1041 25.530 41.044 86.374 1.00 0.00 C ATOM 22367 C4* G B1041 26.990 40.697 86.580 1.00 0.00 C ATOM 22368 O4* G B1041 27.789 41.423 85.600 1.00 0.00 O ATOM 22369 C3* G B1041 27.590 41.110 87.923 1.00 0.00 C ATOM 22370 O3* G B1041 27.333 40.162 88.912 1.00 0.00 O ATOM 22371 C2* G B1041 29.076 41.224 87.590 1.00 0.00 C ATOM 22372 O2* G B1041 29.669 39.940 87.492 1.00 0.00 O ATOM 22373 C1* G B1041 29.029 41.801 86.178 1.00 0.00 C ATOM 22374 N9 G B1041 29.124 43.286 86.134 1.00 0.00 N ATOM 22375 C8 G B1041 28.137 44.215 85.878 1.00 0.00 C ATOM 22376 N7 G B1041 28.553 45.458 85.916 1.00 0.00 N ATOM 22377 C5 G B1041 29.910 45.346 86.218 1.00 0.00 C ATOM 22378 C6 G B1041 30.894 46.352 86.390 1.00 0.00 C ATOM 22379 O6 G B1041 30.769 47.571 86.310 1.00 0.00 O ATOM 22380 N1 G B1041 32.148 45.799 86.688 1.00 0.00 N ATOM 22381 C2 G B1041 32.411 44.448 86.806 1.00 0.00 C ATOM 22382 N2 G B1041 33.675 44.122 87.096 1.00 0.00 N ATOM 22383 N3 G B1041 31.489 43.504 86.642 1.00 0.00 N ATOM 22384 C4 G B1041 30.265 44.025 86.353 1.00 0.00 C ATOM 22385 P G B1042 27.103 40.669 90.445 1.00 0.00 P ATOM 22386 O1P G B1042 26.493 39.591 91.255 1.00 0.00 O ATOM 22387 O2P G B1042 26.377 41.957 90.434 1.00 0.00 O ATOM 22388 O5* G B1042 28.616 40.904 90.913 1.00 0.00 O ATOM 22389 C5* G B1042 29.529 39.790 90.911 1.00 0.00 C ATOM 22390 C4* G B1042 30.926 40.262 91.266 1.00 0.00 C ATOM 22391 O4* G B1042 31.426 41.103 90.185 1.00 0.00 O ATOM 22392 C3* G B1042 31.032 41.153 92.503 1.00 0.00 C ATOM 22393 O3* G B1042 31.105 40.398 93.672 1.00 0.00 O ATOM 22394 C2* G B1042 32.315 41.936 92.226 1.00 0.00 C ATOM 22395 O2* G B1042 33.457 41.125 92.462 1.00 0.00 O ATOM 22396 C1* G B1042 32.227 42.145 90.718 1.00 0.00 C ATOM 22397 N9 G B1042 31.607 43.445 90.331 1.00 0.00 N ATOM 22398 C8 G B1042 30.351 43.692 89.816 1.00 0.00 C ATOM 22399 N7 G B1042 30.112 44.959 89.583 1.00 0.00 N ATOM 22400 C5 G B1042 31.291 45.597 89.967 1.00 0.00 C ATOM 22401 C6 G B1042 31.634 46.973 89.950 1.00 0.00 C ATOM 22402 O6 G B1042 30.958 47.930 89.578 1.00 0.00 O ATOM 22403 N1 G B1042 32.932 47.184 90.429 1.00 0.00 N ATOM 22404 C2 G B1042 33.788 46.195 90.874 1.00 0.00 C ATOM 22405 N2 G B1042 34.986 46.600 91.297 1.00 0.00 N ATOM 22406 N3 G B1042 33.466 44.904 90.892 1.00 0.00 N ATOM 22407 C4 G B1042 32.209 44.679 90.428 1.00 0.00 C ATOM 22408 P C B1043 30.419 40.990 95.030 1.00 0.00 P ATOM 22409 O1P C B1043 30.274 39.915 96.039 1.00 0.00 O ATOM 22410 O2P C B1043 29.180 41.714 94.682 1.00 0.00 O ATOM 22411 O5* C B1043 31.539 42.028 95.505 1.00 0.00 O ATOM 22412 C5* C B1043 32.861 41.542 95.807 1.00 0.00 C ATOM 22413 C4* C B1043 33.785 42.703 96.113 1.00 0.00 C ATOM 22414 O4* C B1043 33.990 43.471 94.891 1.00 0.00 O ATOM 22415 C3* C B1043 33.256 43.734 97.109 1.00 0.00 C ATOM 22416 O3* C B1043 33.490 43.338 98.423 1.00 0.00 O ATOM 22417 C2* C B1043 34.039 44.986 96.721 1.00 0.00 C ATOM 22418 O2* C B1043 35.373 44.915 97.196 1.00 0.00 O ATOM 22419 C1* C B1043 34.099 44.851 95.201 1.00 0.00 C ATOM 22420 N1 C B1043 33.008 45.573 94.492 1.00 0.00 N ATOM 22421 C2 C B1043 33.083 46.960 94.419 1.00 0.00 C ATOM 22422 O2 C B1043 34.047 47.533 94.943 1.00 0.00 O ATOM 22423 N3 C B1043 32.097 47.635 93.776 1.00 0.00 N ATOM 22424 C4 C B1043 31.071 46.980 93.223 1.00 0.00 C ATOM 22425 N4 C B1043 30.134 47.685 92.606 1.00 0.00 N ATOM 22426 C5 C B1043 30.972 45.554 93.285 1.00 0.00 C ATOM 22427 C6 C B1043 31.968 44.896 93.933 1.00 0.00 C ATOM 22428 P C B1044 33.592 44.749 99.650 1.00 0.00 P ATOM 22429 O1P C B1044 34.982 44.816 100.157 1.00 0.00 O ATOM 22430 O2P C B1044 32.535 44.614 100.677 1.00 0.00 O ATOM 22431 O5* C B1044 33.255 46.236 98.590 1.00 0.00 O ATOM 22432 C5* C B1044 33.041 47.578 97.996 1.00 0.00 C ATOM 22433 C4* C B1044 31.453 47.853 97.637 1.00 0.00 C ATOM 22434 O4* C B1044 30.691 46.912 98.451 1.00 0.00 O ATOM 22435 C3* C B1044 30.620 49.135 97.679 1.00 0.00 C ATOM 22436 O3* C B1044 30.733 50.306 96.625 1.00 0.00 O ATOM 22437 C2* C B1044 29.195 48.585 97.678 1.00 0.00 C ATOM 22438 O2* C B1044 28.825 48.151 96.375 1.00 0.00 O ATOM 22439 C1* C B1044 29.343 47.339 98.537 1.00 0.00 C ATOM 22440 N1 C B1044 28.956 47.561 100.181 1.00 0.00 N ATOM 22441 C2 C B1044 28.128 48.627 100.512 1.00 0.00 C ATOM 22442 O2 C B1044 27.716 49.366 99.605 1.00 0.00 O ATOM 22443 N3 C B1044 27.801 48.823 101.813 1.00 0.00 N ATOM 22444 C4 C B1044 28.270 48.000 102.761 1.00 0.00 C ATOM 22445 N4 C B1044 27.921 48.231 104.019 1.00 0.00 N ATOM 22446 C5 C B1044 29.118 46.897 102.442 1.00 0.00 C ATOM 22447 C6 C B1044 29.437 46.718 101.134 1.00 0.00 C ATOM 22448 P C B1045 29.260 51.449 96.386 1.00 0.00 P ATOM 22449 O1P C B1045 29.502 52.670 97.186 1.00 0.00 O ATOM 22450 O2P C B1045 28.006 50.714 96.693 1.00 0.00 O ATOM 22451 O5* C B1045 29.160 51.890 94.565 1.00 0.00 O ATOM 22452 C5* C B1045 28.367 52.813 93.690 1.00 0.00 C ATOM 22453 C4* C B1045 28.304 52.777 92.010 1.00 0.00 C ATOM 22454 O4* C B1045 29.041 51.699 91.368 1.00 0.00 O ATOM 22455 C3* C B1045 26.937 52.748 91.327 1.00 0.00 C ATOM 22456 O3* C B1045 25.651 52.121 92.021 1.00 0.00 O ATOM 22457 C2* C B1045 27.303 52.375 89.893 1.00 0.00 C ATOM 22458 O2* C B1045 27.846 53.490 89.207 1.00 0.00 O ATOM 22459 C1* C B1045 28.447 51.392 90.116 1.00 0.00 C ATOM 22460 N1 C B1045 27.983 49.764 90.134 1.00 0.00 N ATOM 22461 C2 C B1045 28.330 48.976 89.038 1.00 0.00 C ATOM 22462 O2 C B1045 28.958 49.491 88.107 1.00 0.00 O ATOM 22463 N3 C B1045 27.966 47.668 89.035 1.00 0.00 N ATOM 22464 C4 C B1045 27.286 47.146 90.065 1.00 0.00 C ATOM 22465 N4 C B1045 26.950 45.864 90.010 1.00 0.00 N ATOM 22466 C5 C B1045 26.919 47.939 91.198 1.00 0.00 C ATOM 22467 C6 C B1045 27.291 49.243 91.182 1.00 0.00 C ATOM 22468 P A B1046 24.399 53.222 92.796 1.00 0.00 P ATOM 22469 O1P A B1046 24.054 54.337 91.885 1.00 0.00 O ATOM 22470 O2P A B1046 24.815 53.618 94.162 1.00 0.00 O ATOM 22471 O5* A B1046 23.009 52.006 92.865 1.00 0.00 O ATOM 22472 C5* A B1046 21.837 51.104 92.840 1.00 0.00 C ATOM 22473 C4* A B1046 20.393 51.526 93.589 1.00 0.00 C ATOM 22474 O4* A B1046 20.423 52.982 93.684 1.00 0.00 O ATOM 22475 C3* A B1046 19.057 51.229 92.909 1.00 0.00 C ATOM 22476 O3* A B1046 18.655 49.725 93.292 1.00 0.00 O ATOM 22477 C2* A B1046 18.151 52.308 93.502 1.00 0.00 C ATOM 22478 O2* A B1046 17.777 51.977 94.829 1.00 0.00 O ATOM 22479 C1* A B1046 19.107 53.498 93.591 1.00 0.00 C ATOM 22480 N9 A B1046 19.043 54.550 92.278 1.00 0.00 N ATOM 22481 C8 A B1046 19.957 55.510 91.899 1.00 0.00 C ATOM 22482 N7 A B1046 19.621 56.155 90.825 1.00 0.00 N ATOM 22483 C5 A B1046 18.405 55.598 90.461 1.00 0.00 C ATOM 22484 C6 A B1046 17.525 55.851 89.395 1.00 0.00 C ATOM 22485 N6 A B1046 17.750 56.788 88.461 1.00 0.00 N ATOM 22486 N1 A B1046 16.404 55.114 89.326 1.00 0.00 N ATOM 22487 C2 A B1046 16.186 54.187 90.260 1.00 0.00 C ATOM 22488 N3 A B1046 16.928 53.862 91.295 1.00 0.00 N ATOM 22489 C4 A B1046 18.050 54.617 91.340 1.00 0.00 C ATOM 22490 P G B1047 17.104 48.689 93.167 1.00 0.00 P ATOM 22491 O1P G B1047 15.996 49.592 92.773 1.00 0.00 O ATOM 22492 O2P G B1047 16.872 47.869 94.371 1.00 0.00 O ATOM 22493 O5* G B1047 17.554 47.389 91.867 1.00 0.00 O ATOM 22494 C5* G B1047 17.872 46.743 90.519 1.00 0.00 C ATOM 22495 C4* G B1047 16.758 45.528 90.203 1.00 0.00 C ATOM 22496 O4* G B1047 17.236 44.159 90.083 1.00 0.00 O ATOM 22497 C3* G B1047 16.073 45.566 91.576 1.00 0.00 C ATOM 22498 O3* G B1047 15.162 46.927 91.288 1.00 0.00 O ATOM 22499 C2* G B1047 15.446 44.179 91.652 1.00 0.00 C ATOM 22500 O2* G B1047 14.281 44.105 90.847 1.00 0.00 O ATOM 22501 C1* G B1047 16.507 43.320 90.969 1.00 0.00 C ATOM 22502 N9 G B1047 17.605 42.577 92.027 1.00 0.00 N ATOM 22503 C8 G B1047 18.607 43.144 92.775 1.00 0.00 C ATOM 22504 N7 G B1047 19.380 42.273 93.389 1.00 0.00 N ATOM 22505 C5 G B1047 18.841 41.042 93.018 1.00 0.00 C ATOM 22506 C6 G B1047 19.247 39.729 93.363 1.00 0.00 C ATOM 22507 O6 G B1047 20.176 39.375 94.085 1.00 0.00 O ATOM 22508 N1 G B1047 18.426 38.765 92.766 1.00 0.00 N ATOM 22509 C2 G B1047 17.352 39.038 91.937 1.00 0.00 C ATOM 22510 N2 G B1047 16.697 37.977 91.463 1.00 0.00 N ATOM 22511 N3 G B1047 16.971 40.273 91.616 1.00 0.00 N ATOM 22512 C4 G B1047 17.762 41.218 92.189 1.00 0.00 C ATOM 22513 P A B1048 14.711 48.274 89.906 1.00 0.00 P ATOM 22514 O1P A B1048 15.295 49.577 90.297 1.00 0.00 O ATOM 22515 O2P A B1048 13.240 48.166 90.021 1.00 0.00 O ATOM 22516 O5* A B1048 15.188 48.266 87.998 1.00 0.00 O ATOM 22517 C5* A B1048 15.737 49.295 86.871 1.00 0.00 C ATOM 22518 C4* A B1048 15.801 49.713 85.141 1.00 0.00 C ATOM 22519 O4* A B1048 16.489 48.712 84.334 1.00 0.00 O ATOM 22520 C3* A B1048 16.166 51.035 84.472 1.00 0.00 C ATOM 22521 O3* A B1048 16.031 52.316 85.362 1.00 0.00 O ATOM 22522 C2* A B1048 17.605 50.793 84.026 1.00 0.00 C ATOM 22523 O2* A B1048 18.491 50.873 85.128 1.00 0.00 O ATOM 22524 C1* A B1048 17.548 49.324 83.612 1.00 0.00 C ATOM 22525 N9 A B1048 17.287 49.065 81.956 1.00 0.00 N ATOM 22526 C8 A B1048 16.125 49.249 81.233 1.00 0.00 C ATOM 22527 N7 A B1048 16.185 48.789 80.018 1.00 0.00 N ATOM 22528 C5 A B1048 17.467 48.272 79.921 1.00 0.00 C ATOM 22529 C6 A B1048 18.156 47.636 78.870 1.00 0.00 C ATOM 22530 N6 A B1048 17.615 47.408 77.666 1.00 0.00 N ATOM 22531 N1 A B1048 19.421 47.243 79.111 1.00 0.00 N ATOM 22532 C2 A B1048 19.952 47.477 80.311 1.00 0.00 C ATOM 22533 N3 A B1048 19.416 48.054 81.359 1.00 0.00 N ATOM 22534 C4 A B1048 18.147 48.438 81.095 1.00 0.00 C ATOM 22535 P C B1049 17.386 53.527 85.721 1.00 0.00 P ATOM 22536 O1P C B1049 16.793 54.865 85.506 1.00 0.00 O ATOM 22537 O2P C B1049 18.713 53.301 85.102 1.00 0.00 O ATOM 22538 O5* C B1049 17.595 53.061 87.491 1.00 0.00 O ATOM 22539 C5* C B1049 18.634 52.669 88.459 1.00 0.00 C ATOM 22540 C4* C B1049 18.313 51.192 89.068 1.00 0.00 C ATOM 22541 O4* C B1049 17.500 50.473 88.096 1.00 0.00 O ATOM 22542 C3* C B1049 19.211 50.110 89.674 1.00 0.00 C ATOM 22543 O3* C B1049 19.747 49.823 91.147 1.00 0.00 O ATOM 22544 C2* C B1049 18.276 48.905 89.712 1.00 0.00 C ATOM 22545 O2* C B1049 17.349 49.016 90.774 1.00 0.00 O ATOM 22546 C1* C B1049 17.485 49.088 88.416 1.00 0.00 C ATOM 22547 N1 C B1049 18.093 48.229 87.093 1.00 0.00 N ATOM 22548 C2 C B1049 17.494 47.016 86.781 1.00 0.00 C ATOM 22549 O2 C B1049 16.615 46.573 87.530 1.00 0.00 O ATOM 22550 N3 C B1049 17.896 46.356 85.665 1.00 0.00 N ATOM 22551 C4 C B1049 18.855 46.863 84.879 1.00 0.00 C ATOM 22552 N4 C B1049 19.211 46.182 83.801 1.00 0.00 N ATOM 22553 C5 C B1049 19.487 48.115 85.186 1.00 0.00 C ATOM 22554 C6 C B1049 19.070 48.758 86.302 1.00 0.00 C ATOM 22555 P A B1050 20.329 48.100 91.784 1.00 0.00 P ATOM 22556 O1P A B1050 19.445 47.421 92.765 1.00 0.00 O ATOM 22557 O2P A B1050 21.656 48.513 92.291 1.00 0.00 O ATOM 22558 O5* A B1050 20.540 46.840 90.395 1.00 0.00 O ATOM 22559 C5* A B1050 21.469 45.947 89.600 1.00 0.00 C ATOM 22560 C4* A B1050 22.224 46.257 88.092 1.00 0.00 C ATOM 22561 O4* A B1050 22.091 45.010 87.349 1.00 0.00 O ATOM 22562 C3* A B1050 21.656 47.312 87.141 1.00 0.00 C ATOM 22563 O3* A B1050 22.776 48.492 87.601 1.00 0.00 O ATOM 22564 C2* A B1050 22.109 46.792 85.778 1.00 0.00 C ATOM 22565 O2* A B1050 23.484 47.056 85.569 1.00 0.00 O ATOM 22566 C1* A B1050 21.971 45.287 85.963 1.00 0.00 C ATOM 22567 N9 A B1050 20.511 44.640 85.418 1.00 0.00 N ATOM 22568 C8 A B1050 19.339 44.476 86.117 1.00 0.00 C ATOM 22569 N7 A B1050 18.442 43.773 85.489 1.00 0.00 N ATOM 22570 C5 A B1050 19.061 43.441 84.291 1.00 0.00 C ATOM 22571 C6 A B1050 18.630 42.702 83.178 1.00 0.00 C ATOM 22572 N6 A B1050 17.419 42.133 83.096 1.00 0.00 N ATOM 22573 N1 A B1050 19.490 42.564 82.155 1.00 0.00 N ATOM 22574 C2 A B1050 20.690 43.135 82.247 1.00 0.00 C ATOM 22575 N3 A B1050 21.199 43.846 83.226 1.00 0.00 N ATOM 22576 C4 A B1050 20.320 43.968 84.239 1.00 0.00 C ATOM 22577 P G B1051 22.226 48.871 89.446 1.00 0.00 P ATOM 22578 O1P G B1051 21.103 48.102 88.848 1.00 0.00 O ATOM 22579 O2P G B1051 21.901 50.304 89.974 1.00 0.00 O ATOM 22580 O5* G B1051 22.920 47.958 90.585 1.00 0.00 O ATOM 22581 C5* G B1051 23.662 46.767 90.173 1.00 0.00 C ATOM 22582 C4* G B1051 24.440 46.143 91.354 1.00 0.00 C ATOM 22583 O4* G B1051 25.196 47.139 92.077 1.00 0.00 O ATOM 22584 C3* G B1051 23.467 45.521 92.342 1.00 0.00 C ATOM 22585 O3* G B1051 23.351 44.118 92.040 1.00 0.00 O ATOM 22586 C2* G B1051 24.196 45.678 93.668 1.00 0.00 C ATOM 22587 O2* G B1051 24.944 44.541 94.014 1.00 0.00 O ATOM 22588 C1* G B1051 25.079 46.895 93.486 1.00 0.00 C ATOM 22589 N9 G B1051 24.307 47.980 94.107 1.00 0.00 N ATOM 22590 C8 G B1051 23.628 48.979 93.516 1.00 0.00 C ATOM 22591 N7 G B1051 23.001 49.740 94.351 1.00 0.00 N ATOM 22592 C5 G B1051 23.289 49.185 95.577 1.00 0.00 C ATOM 22593 C6 G B1051 22.906 49.600 96.880 1.00 0.00 C ATOM 22594 O6 G B1051 22.171 50.509 97.212 1.00 0.00 O ATOM 22595 N1 G B1051 23.450 48.806 97.841 1.00 0.00 N ATOM 22596 C2 G B1051 24.257 47.740 97.614 1.00 0.00 C ATOM 22597 N2 G B1051 24.730 47.102 98.693 1.00 0.00 N ATOM 22598 N3 G B1051 24.617 47.340 96.394 1.00 0.00 N ATOM 22599 C4 G B1051 24.089 48.116 95.432 1.00 0.00 C ATOM 22600 P C B1052 21.875 43.477 92.014 1.00 0.00 P ATOM 22601 O1P C B1052 21.933 42.101 91.469 1.00 0.00 O ATOM 22602 O2P C B1052 20.946 44.379 91.330 1.00 0.00 O ATOM 22603 O5* C B1052 21.527 43.462 93.592 1.00 0.00 O ATOM 22604 C5* C B1052 22.146 42.429 94.358 1.00 0.00 C ATOM 22605 C4* C B1052 22.190 42.742 95.833 1.00 0.00 C ATOM 22606 O4* C B1052 22.870 43.949 96.084 1.00 0.00 O ATOM 22607 C3* C B1052 20.795 42.925 96.362 1.00 0.00 C ATOM 22608 O3* C B1052 20.226 41.657 96.675 1.00 0.00 O ATOM 22609 C2* C B1052 21.056 43.701 97.651 1.00 0.00 C ATOM 22610 O2* C B1052 21.430 42.870 98.744 1.00 0.00 O ATOM 22611 C1* C B1052 22.207 44.612 97.175 1.00 0.00 C ATOM 22612 N1 C B1052 21.485 45.798 96.638 1.00 0.00 N ATOM 22613 C2 C B1052 20.849 46.599 97.529 1.00 0.00 C ATOM 22614 O2 C B1052 20.926 46.369 98.705 1.00 0.00 O ATOM 22615 N3 C B1052 20.160 47.647 97.077 1.00 0.00 N ATOM 22616 C4 C B1052 20.100 47.893 95.795 1.00 0.00 C ATOM 22617 N4 C B1052 19.416 48.936 95.392 1.00 0.00 N ATOM 22618 C5 C B1052 20.750 47.072 94.834 1.00 0.00 C ATOM 22619 C6 C B1052 21.441 46.040 95.304 1.00 0.00 C ATOM 22620 P C B1053 18.615 41.554 96.678 1.00 0.00 P ATOM 22621 O1P C B1053 18.244 40.144 96.705 1.00 0.00 O ATOM 22622 O2P C B1053 18.010 42.357 95.545 1.00 0.00 O ATOM 22623 O5* C B1053 18.246 42.274 98.055 1.00 0.00 O ATOM 22624 C5* C B1053 18.243 41.526 99.220 1.00 0.00 C ATOM 22625 C4* C B1053 17.668 42.339 100.336 1.00 0.00 C ATOM 22626 O4* C B1053 18.379 43.574 100.495 1.00 0.00 O ATOM 22627 C3* C B1053 16.240 42.726 100.011 1.00 0.00 C ATOM 22628 O3* C B1053 15.361 41.677 100.388 1.00 0.00 O ATOM 22629 C2* C B1053 16.084 43.878 101.004 1.00 0.00 C ATOM 22630 O2* C B1053 15.909 43.409 102.341 1.00 0.00 O ATOM 22631 C1* C B1053 17.429 44.607 100.804 1.00 0.00 C ATOM 22632 N1 C B1053 17.323 45.561 99.619 1.00 0.00 N ATOM 22633 C2 C B1053 16.636 46.752 99.793 1.00 0.00 C ATOM 22634 O2 C B1053 16.212 47.090 100.886 1.00 0.00 O ATOM 22635 N3 C B1053 16.470 47.549 98.738 1.00 0.00 N ATOM 22636 C4 C B1053 16.946 47.215 97.555 1.00 0.00 C ATOM 22637 N4 C B1053 16.739 48.034 96.550 1.00 0.00 N ATOM 22638 C5 C B1053 17.658 45.995 97.341 1.00 0.00 C ATOM 22639 C6 C B1053 17.827 45.212 98.410 1.00 0.00 C ATOM 22640 P A B1054 14.171 41.340 99.368 1.00 0.00 P ATOM 22641 O1P A B1054 13.772 39.927 99.497 1.00 0.00 O ATOM 22642 O2P A B1054 14.617 41.649 97.986 1.00 0.00 O ATOM 22643 O5* A B1054 13.042 42.319 99.909 1.00 0.00 O ATOM 22644 C5* A B1054 13.081 42.645 101.287 1.00 0.00 C ATOM 22645 C4* A B1054 12.277 43.864 101.580 1.00 0.00 C ATOM 22646 O4* A B1054 13.157 45.027 101.431 1.00 0.00 O ATOM 22647 C3* A B1054 11.152 44.175 100.651 1.00 0.00 C ATOM 22648 O3* A B1054 10.087 43.320 100.953 1.00 0.00 O ATOM 22649 C2* A B1054 10.910 45.633 100.864 1.00 0.00 C ATOM 22650 O2* A B1054 9.937 45.799 101.886 1.00 0.00 O ATOM 22651 C1* A B1054 12.343 46.108 100.968 1.00 0.00 C ATOM 22652 N9 A B1054 12.826 46.578 99.616 1.00 0.00 N ATOM 22653 C8 A B1054 13.526 45.880 98.685 1.00 0.00 C ATOM 22654 N7 A B1054 13.730 46.564 97.579 1.00 0.00 N ATOM 22655 C5 A B1054 13.150 47.798 97.826 1.00 0.00 C ATOM 22656 C6 A B1054 13.063 48.951 97.068 1.00 0.00 C ATOM 22657 N6 A B1054 13.623 49.068 95.840 1.00 0.00 N ATOM 22658 N1 A B1054 12.393 49.955 97.613 1.00 0.00 N ATOM 22659 C2 A B1054 11.850 49.809 98.845 1.00 0.00 C ATOM 22660 N3 A B1054 11.919 48.788 99.654 1.00 0.00 N ATOM 22661 C4 A B1054 12.594 47.797 99.056 1.00 0.00 C ATOM 22662 P G B1055 8.948 43.130 99.922 1.00 0.00 P ATOM 22663 O1P G B1055 8.269 41.812 100.268 1.00 0.00 O ATOM 22664 O2P G B1055 9.528 43.212 98.523 1.00 0.00 O ATOM 22665 O5* G B1055 7.989 44.383 100.224 1.00 0.00 O ATOM 22666 C5* G B1055 7.627 45.220 99.156 1.00 0.00 C ATOM 22667 C4* G B1055 7.159 46.532 99.657 1.00 0.00 C ATOM 22668 O4* G B1055 8.219 47.436 99.778 1.00 0.00 O ATOM 22669 C3* G B1055 6.261 47.131 98.644 1.00 0.00 C ATOM 22670 O3* G B1055 4.960 46.766 98.960 1.00 0.00 O ATOM 22671 C2* G B1055 6.415 48.623 98.810 1.00 0.00 C ATOM 22672 O2* G B1055 5.785 49.095 100.023 1.00 0.00 O ATOM 22673 C1* G B1055 7.939 48.551 98.940 1.00 0.00 C ATOM 22674 N9 G B1055 8.703 48.379 97.658 1.00 0.00 N ATOM 22675 C8 G B1055 9.470 47.313 97.241 1.00 0.00 C ATOM 22676 N7 G B1055 10.034 47.488 96.078 1.00 0.00 N ATOM 22677 C5 G B1055 9.587 48.766 95.697 1.00 0.00 C ATOM 22678 C6 G B1055 9.817 49.489 94.493 1.00 0.00 C ATOM 22679 O6 G B1055 10.504 49.160 93.499 1.00 0.00 O ATOM 22680 N1 G B1055 9.147 50.705 94.496 1.00 0.00 N ATOM 22681 C2 G B1055 8.355 51.164 95.525 1.00 0.00 C ATOM 22682 N2 G B1055 7.760 52.351 95.359 1.00 0.00 N ATOM 22683 N3 G B1055 8.145 50.488 96.646 1.00 0.00 N ATOM 22684 C4 G B1055 8.785 49.305 96.659 1.00 0.00 C ATOM 22685 P G B1056 4.070 46.210 97.720 1.00 0.00 P ATOM 22686 O1P G B1056 2.616 46.313 98.014 1.00 0.00 O ATOM 22687 O2P G B1056 4.601 44.916 97.223 1.00 0.00 O ATOM 22688 O5* G B1056 4.380 47.300 96.587 1.00 0.00 O ATOM 22689 C5* G B1056 3.353 48.228 96.198 1.00 0.00 C ATOM 22690 C4* G B1056 3.769 49.023 94.959 1.00 0.00 C ATOM 22691 O4* G B1056 5.194 49.300 95.087 1.00 0.00 O ATOM 22692 C3* G B1056 3.602 48.359 93.602 1.00 0.00 C ATOM 22693 O3* G B1056 2.293 48.417 93.104 1.00 0.00 O ATOM 22694 C2* G B1056 4.648 49.045 92.779 1.00 0.00 C ATOM 22695 O2* G B1056 4.071 50.174 92.138 1.00 0.00 O ATOM 22696 C1* G B1056 5.771 49.156 93.789 1.00 0.00 C ATOM 22697 N9 G B1056 6.585 47.948 93.727 1.00 0.00 N ATOM 22698 C8 G B1056 6.557 46.852 94.578 1.00 0.00 C ATOM 22699 N7 G B1056 7.377 45.900 94.263 1.00 0.00 N ATOM 22700 C5 G B1056 8.008 46.385 93.137 1.00 0.00 C ATOM 22701 C6 G B1056 9.002 45.772 92.375 1.00 0.00 C ATOM 22702 O6 G B1056 9.537 44.679 92.519 1.00 0.00 O ATOM 22703 N1 G B1056 9.394 46.568 91.296 1.00 0.00 N ATOM 22704 C2 G B1056 8.881 47.809 91.043 1.00 0.00 C ATOM 22705 N2 G B1056 9.418 48.409 89.984 1.00 0.00 N ATOM 22706 N3 G B1056 7.956 48.385 91.755 1.00 0.00 N ATOM 22707 C4 G B1056 7.561 47.612 92.800 1.00 0.00 C ATOM 22708 P A B1057 1.392 47.115 92.903 1.00 0.00 P ATOM 22709 O1P A B1057 2.109 46.118 92.065 1.00 0.00 O ATOM 22710 O2P A B1057 0.068 47.560 92.397 1.00 0.00 O ATOM 22711 O5* A B1057 1.220 46.568 94.349 1.00 0.00 O ATOM 22712 C5* A B1057 -0.112 46.461 94.866 1.00 0.00 C ATOM 22713 C4* A B1057 -0.397 47.519 95.928 1.00 0.00 C ATOM 22714 O4* A B1057 0.406 48.683 95.794 1.00 0.00 O ATOM 22715 C3* A B1057 -1.764 48.001 95.746 1.00 0.00 C ATOM 22716 O3* A B1057 -2.623 47.102 96.351 1.00 0.00 O ATOM 22717 C2* A B1057 -1.811 49.355 96.462 1.00 0.00 C ATOM 22718 O2* A B1057 -2.252 49.290 97.822 1.00 0.00 O ATOM 22719 C1* A B1057 -0.340 49.804 96.315 1.00 0.00 C ATOM 22720 N9 A B1057 -0.448 50.841 95.254 1.00 0.00 N ATOM 22721 C8 A B1057 0.027 50.803 93.961 1.00 0.00 C ATOM 22722 N7 A B1057 -0.249 51.882 93.273 1.00 0.00 N ATOM 22723 C5 A B1057 -0.961 52.676 94.181 1.00 0.00 C ATOM 22724 C6 A B1057 -1.577 53.912 94.058 1.00 0.00 C ATOM 22725 N6 A B1057 -1.507 54.639 92.991 1.00 0.00 N ATOM 22726 N1 A B1057 -2.232 54.378 95.113 1.00 0.00 N ATOM 22727 C2 A B1057 -2.275 53.646 96.224 1.00 0.00 C ATOM 22728 N3 A B1057 -1.742 52.474 96.467 1.00 0.00 N ATOM 22729 C4 A B1057 -1.088 52.049 95.383 1.00 0.00 C ATOM 22730 P U B1058 -3.800 46.555 95.454 1.00 0.00 P ATOM 22731 O1P U B1058 -4.293 45.260 95.993 1.00 0.00 O ATOM 22732 O2P U B1058 -3.372 46.515 94.037 1.00 0.00 O ATOM 22733 O5* U B1058 -4.903 47.705 95.673 1.00 0.00 O ATOM 22734 C5* U B1058 -5.707 47.585 96.865 1.00 0.00 C ATOM 22735 C4* U B1058 -6.515 48.846 97.189 1.00 0.00 C ATOM 22736 O4* U B1058 -5.706 50.049 96.988 1.00 0.00 O ATOM 22737 C3* U B1058 -7.592 49.159 96.240 1.00 0.00 C ATOM 22738 O3* U B1058 -8.720 48.382 96.454 1.00 0.00 O ATOM 22739 C2* U B1058 -7.916 50.600 96.409 1.00 0.00 C ATOM 22740 O2* U B1058 -8.869 50.801 97.442 1.00 0.00 O ATOM 22741 C1* U B1058 -6.509 51.131 96.472 1.00 0.00 C ATOM 22742 N1 U B1058 -5.861 51.643 95.256 1.00 0.00 N ATOM 22743 C2 U B1058 -6.244 52.886 94.811 1.00 0.00 C ATOM 22744 O2 U B1058 -7.125 53.533 95.319 1.00 0.00 O ATOM 22745 N3 U B1058 -5.544 53.348 93.727 1.00 0.00 N ATOM 22746 C4 U B1058 -4.552 52.694 93.037 1.00 0.00 C ATOM 22747 O4 U B1058 -3.961 53.232 92.091 1.00 0.00 O ATOM 22748 C5 U B1058 -4.299 51.359 93.545 1.00 0.00 C ATOM 22749 C6 U B1058 -4.938 50.897 94.616 1.00 0.00 C ATOM 22750 P G B1059 -9.380 47.874 95.116 1.00 0.00 P ATOM 22751 O1P G B1059 -10.188 46.668 95.377 1.00 0.00 O ATOM 22752 O2P G B1059 -8.333 47.649 94.086 1.00 0.00 O ATOM 22753 O5* G B1059 -10.307 49.118 94.715 1.00 0.00 O ATOM 22754 C5* G B1059 -11.415 49.494 95.581 1.00 0.00 C ATOM 22755 C4* G B1059 -12.197 50.592 94.868 1.00 0.00 C ATOM 22756 O4* G B1059 -11.242 51.617 94.402 1.00 0.00 O ATOM 22757 C3* G B1059 -12.732 50.188 93.505 1.00 0.00 C ATOM 22758 O3* G B1059 -13.968 49.604 93.617 1.00 0.00 O ATOM 22759 C2* G B1059 -12.797 51.410 92.599 1.00 0.00 C ATOM 22760 O2* G B1059 -14.111 51.960 92.557 1.00 0.00 O ATOM 22761 C1* G B1059 -11.629 52.215 93.158 1.00 0.00 C ATOM 22762 N9 G B1059 -10.342 52.421 92.446 1.00 0.00 N ATOM 22763 C8 G B1059 -9.205 51.644 92.549 1.00 0.00 C ATOM 22764 N7 G B1059 -8.213 52.075 91.824 1.00 0.00 N ATOM 22765 C5 G B1059 -8.730 53.177 91.198 1.00 0.00 C ATOM 22766 C6 G B1059 -8.086 54.051 90.299 1.00 0.00 C ATOM 22767 O6 G B1059 -6.928 54.019 89.875 1.00 0.00 O ATOM 22768 N1 G B1059 -8.942 55.061 89.865 1.00 0.00 N ATOM 22769 C2 G B1059 -10.252 55.171 90.267 1.00 0.00 C ATOM 22770 N2 G B1059 -10.902 56.204 89.714 1.00 0.00 N ATOM 22771 N3 G B1059 -10.863 54.354 91.093 1.00 0.00 N ATOM 22772 C4 G B1059 -10.024 53.410 91.545 1.00 0.00 C ATOM 22773 P U B1060 -14.386 48.901 92.298 1.00 0.00 P ATOM 22774 O1P U B1060 -14.871 49.873 91.296 1.00 0.00 O ATOM 22775 O2P U B1060 -15.196 47.694 92.600 1.00 0.00 O ATOM 22776 O5* U B1060 -12.986 48.431 91.706 1.00 0.00 O ATOM 22777 C5* U B1060 -13.114 47.262 90.863 1.00 0.00 C ATOM 22778 C4* U B1060 -11.809 46.946 90.135 1.00 0.00 C ATOM 22779 O4* U B1060 -11.562 48.008 89.142 1.00 0.00 O ATOM 22780 C3* U B1060 -10.521 46.967 90.920 1.00 0.00 C ATOM 22781 O3* U B1060 -9.589 46.091 90.331 1.00 0.00 O ATOM 22782 C2* U B1060 -10.087 48.412 90.967 1.00 0.00 C ATOM 22783 O2* U B1060 -8.752 48.538 91.432 1.00 0.00 O ATOM 22784 C1* U B1060 -10.467 48.828 89.545 1.00 0.00 C ATOM 22785 N1 U B1060 -10.822 50.224 89.169 1.00 0.00 N ATOM 22786 C2 U B1060 -9.947 50.981 88.436 1.00 0.00 C ATOM 22787 O2 U B1060 -8.854 50.560 88.113 1.00 0.00 O ATOM 22788 N3 U B1060 -10.366 52.254 88.084 1.00 0.00 N ATOM 22789 C4 U B1060 -11.566 52.816 88.423 1.00 0.00 C ATOM 22790 O4 U B1060 -11.811 53.957 88.038 1.00 0.00 O ATOM 22791 C5 U B1060 -12.435 51.973 89.205 1.00 0.00 C ATOM 22792 C6 U B1060 -12.048 50.727 89.540 1.00 0.00 C ATOM 22793 P U B1061 -9.875 44.535 90.332 1.00 0.00 P ATOM 22794 O1P U B1061 -11.147 44.239 91.020 1.00 0.00 O ATOM 22795 O2P U B1061 -8.708 43.819 90.907 1.00 0.00 O ATOM 22796 O5* U B1061 -9.993 44.206 88.768 1.00 0.00 O ATOM 22797 C5* U B1061 -8.797 44.284 88.001 1.00 0.00 C ATOM 22798 C4* U B1061 -9.113 44.455 86.519 1.00 0.00 C ATOM 22799 O4* U B1061 -9.450 43.127 86.015 1.00 0.00 O ATOM 22800 C3* U B1061 -10.339 45.285 86.240 1.00 0.00 C ATOM 22801 O3* U B1061 -10.341 45.751 84.927 1.00 0.00 O ATOM 22802 C2* U B1061 -11.503 44.376 86.337 1.00 0.00 C ATOM 22803 O2* U B1061 -12.690 44.959 85.826 1.00 0.00 O ATOM 22804 C1* U B1061 -10.823 43.167 85.691 1.00 0.00 C ATOM 22805 N1 U B1061 -11.638 41.986 86.270 1.00 0.00 N ATOM 22806 C2 U B1061 -12.099 41.028 85.400 1.00 0.00 C ATOM 22807 O2 U B1061 -11.896 41.071 84.199 1.00 0.00 O ATOM 22808 N3 U B1061 -12.817 39.999 85.977 1.00 0.00 N ATOM 22809 C4 U B1061 -13.107 39.853 87.317 1.00 0.00 C ATOM 22810 O4 U B1061 -13.760 38.885 87.717 1.00 0.00 O ATOM 22811 C5 U B1061 -12.582 40.908 88.151 1.00 0.00 C ATOM 22812 C6 U B1061 -11.880 41.920 87.618 1.00 0.00 C ATOM 22813 P G B1062 -9.450 47.002 84.556 1.00 0.00 P ATOM 22814 O1P G B1062 -8.832 46.791 83.219 1.00 0.00 O ATOM 22815 O2P G B1062 -8.496 47.263 85.656 1.00 0.00 O ATOM 22816 O5* G B1062 -10.555 48.185 84.461 1.00 0.00 O ATOM 22817 C5* G B1062 -10.793 49.010 85.638 1.00 0.00 C ATOM 22818 C4* G B1062 -11.615 50.272 85.324 1.00 0.00 C ATOM 22819 O4* G B1062 -10.728 51.297 84.780 1.00 0.00 O ATOM 22820 C3* G B1062 -12.645 50.124 84.262 1.00 0.00 C ATOM 22821 O3* G B1062 -13.821 49.547 84.739 1.00 0.00 O ATOM 22822 C2* G B1062 -12.824 51.487 83.679 1.00 0.00 C ATOM 22823 O2* G B1062 -13.809 52.211 84.400 1.00 0.00 O ATOM 22824 C1* G B1062 -11.388 51.991 83.699 1.00 0.00 C ATOM 22825 N9 G B1062 -10.466 51.815 82.524 1.00 0.00 N ATOM 22826 C8 G B1062 -9.474 50.854 82.422 1.00 0.00 C ATOM 22827 N7 G B1062 -8.878 50.844 81.275 1.00 0.00 N ATOM 22828 C5 G B1062 -9.479 51.842 80.535 1.00 0.00 C ATOM 22829 C6 G B1062 -9.217 52.278 79.208 1.00 0.00 C ATOM 22830 O6 G B1062 -8.360 51.885 78.416 1.00 0.00 O ATOM 22831 N1 G B1062 -10.123 53.266 78.830 1.00 0.00 N ATOM 22832 C2 G B1062 -11.119 53.801 79.668 1.00 0.00 C ATOM 22833 N2 G B1062 -11.873 54.740 79.117 1.00 0.00 N ATOM 22834 N3 G B1062 -11.317 53.432 80.921 1.00 0.00 N ATOM 22835 C4 G B1062 -10.460 52.449 81.277 1.00 0.00 C ATOM 22836 P G B1063 -14.816 48.890 83.702 1.00 0.00 P ATOM 22837 O1P G B1063 -16.068 48.567 84.396 1.00 0.00 O ATOM 22838 O2P G B1063 -14.167 47.793 83.030 1.00 0.00 O ATOM 22839 O5* G B1063 -15.031 50.040 82.675 1.00 0.00 O ATOM 22840 C5* G B1063 -16.331 50.339 82.276 1.00 0.00 C ATOM 22841 C4* G B1063 -16.297 51.374 81.197 1.00 0.00 C ATOM 22842 O4* G B1063 -15.026 51.976 81.085 1.00 0.00 O ATOM 22843 C3* G B1063 -16.586 50.737 79.881 1.00 0.00 C ATOM 22844 O3* G B1063 -18.013 50.702 79.734 1.00 0.00 O ATOM 22845 C2* G B1063 -16.004 51.823 78.965 1.00 0.00 C ATOM 22846 O2* G B1063 -16.894 52.880 78.745 1.00 0.00 O ATOM 22847 C1* G B1063 -14.795 52.280 79.728 1.00 0.00 C ATOM 22848 N9 G B1063 -13.684 51.478 79.288 1.00 0.00 N ATOM 22849 C8 G B1063 -12.922 50.590 80.016 1.00 0.00 C ATOM 22850 N7 G B1063 -11.953 50.040 79.321 1.00 0.00 N ATOM 22851 C5 G B1063 -12.116 50.599 78.057 1.00 0.00 C ATOM 22852 C6 G B1063 -11.359 50.420 76.918 1.00 0.00 C ATOM 22853 O6 G B1063 -10.423 49.702 76.766 1.00 0.00 O ATOM 22854 N1 G B1063 -11.791 51.193 75.877 1.00 0.00 N ATOM 22855 C2 G B1063 -12.849 52.053 75.919 1.00 0.00 C ATOM 22856 N2 G B1063 -13.101 52.764 74.794 1.00 0.00 N ATOM 22857 N3 G B1063 -13.599 52.240 77.013 1.00 0.00 N ATOM 22858 C4 G B1063 -13.170 51.478 78.039 1.00 0.00 C ATOM 22859 P C B1064 -18.705 49.286 79.467 1.00 0.00 P ATOM 22860 O1P C B1064 -20.185 49.390 79.629 1.00 0.00 O ATOM 22861 O2P C B1064 -18.017 48.245 80.255 1.00 0.00 O ATOM 22862 O5* C B1064 -18.364 49.102 77.921 1.00 0.00 O ATOM 22863 C5* C B1064 -18.685 50.186 77.046 1.00 0.00 C ATOM 22864 C4* C B1064 -17.807 50.175 75.854 1.00 0.00 C ATOM 22865 O4* C B1064 -16.482 50.313 76.198 1.00 0.00 O ATOM 22866 C3* C B1064 -17.872 48.842 75.173 1.00 0.00 C ATOM 22867 O3* C B1064 -19.046 48.776 74.422 1.00 0.00 O ATOM 22868 C2* C B1064 -16.730 49.125 74.214 1.00 0.00 C ATOM 22869 O2* C B1064 -17.132 50.029 73.169 1.00 0.00 O ATOM 22870 C1* C B1064 -15.742 49.752 75.145 1.00 0.00 C ATOM 22871 N1 C B1064 -14.811 48.758 75.652 1.00 0.00 N ATOM 22872 C2 C B1064 -13.712 48.537 74.908 1.00 0.00 C ATOM 22873 O2 C B1064 -13.596 49.068 73.847 1.00 0.00 O ATOM 22874 N3 C B1064 -12.774 47.725 75.359 1.00 0.00 N ATOM 22875 C4 C B1064 -12.912 47.138 76.498 1.00 0.00 C ATOM 22876 N4 C B1064 -11.963 46.351 76.888 1.00 0.00 N ATOM 22877 C5 C B1064 -14.070 47.321 77.311 1.00 0.00 C ATOM 22878 C6 C B1064 -14.995 48.161 76.834 1.00 0.00 C ATOM 22879 P U B1065 -19.787 47.390 74.221 1.00 0.00 P ATOM 22880 O1P U B1065 -21.088 47.603 73.539 1.00 0.00 O ATOM 22881 O2P U B1065 -19.884 46.717 75.530 1.00 0.00 O ATOM 22882 O5* U B1065 -18.791 46.584 73.316 1.00 0.00 O ATOM 22883 C5* U B1065 -18.392 47.252 72.142 1.00 0.00 C ATOM 22884 C4* U B1065 -17.119 46.637 71.620 1.00 0.00 C ATOM 22885 O4* U B1065 -16.014 46.905 72.562 1.00 0.00 O ATOM 22886 C3* U B1065 -17.153 45.128 71.495 1.00 0.00 C ATOM 22887 O3* U B1065 -17.846 44.672 70.332 1.00 0.00 O ATOM 22888 C2* U B1065 -15.705 44.759 71.467 1.00 0.00 C ATOM 22889 O2* U B1065 -15.231 44.764 70.125 1.00 0.00 O ATOM 22890 C1* U B1065 -15.126 45.767 72.467 1.00 0.00 C ATOM 22891 N1 U B1065 -14.990 45.155 73.810 1.00 0.00 N ATOM 22892 C2 U B1065 -13.875 44.415 74.072 1.00 0.00 C ATOM 22893 O2 U B1065 -13.024 44.160 73.238 1.00 0.00 O ATOM 22894 N3 U B1065 -13.752 43.937 75.356 1.00 0.00 N ATOM 22895 C4 U B1065 -14.660 44.118 76.378 1.00 0.00 C ATOM 22896 O4 U B1065 -14.435 43.670 77.513 1.00 0.00 O ATOM 22897 C5 U B1065 -15.830 44.830 76.001 1.00 0.00 C ATOM 22898 C6 U B1065 -15.986 45.317 74.759 1.00 0.00 C ATOM 22899 P U B1066 -18.036 43.142 69.940 1.00 0.00 P ATOM 22900 O1P U B1066 -18.040 43.060 68.417 1.00 0.00 O ATOM 22901 O2P U B1066 -19.240 42.669 70.648 1.00 0.00 O ATOM 22902 O5* U B1066 -16.766 42.360 70.494 1.00 0.00 O ATOM 22903 C5* U B1066 -16.234 41.340 69.682 1.00 0.00 C ATOM 22904 C4* U B1066 -15.125 40.681 70.365 1.00 0.00 C ATOM 22905 O4* U B1066 -14.601 41.501 71.363 1.00 0.00 O ATOM 22906 C3* U B1066 -15.616 39.424 71.032 1.00 0.00 C ATOM 22907 O3* U B1066 -15.569 38.356 70.055 1.00 0.00 O ATOM 22908 C2* U B1066 -14.431 39.278 71.954 1.00 0.00 C ATOM 22909 O2* U B1066 -13.317 38.764 71.270 1.00 0.00 O ATOM 22910 C1* U B1066 -14.189 40.691 72.395 1.00 0.00 C ATOM 22911 N1 U B1066 -15.007 40.972 73.548 1.00 0.00 N ATOM 22912 C2 U B1066 -14.492 40.626 74.761 1.00 0.00 C ATOM 22913 O2 U B1066 -13.382 40.078 74.877 1.00 0.00 O ATOM 22914 N3 U B1066 -15.292 40.908 75.857 1.00 0.00 N ATOM 22915 C4 U B1066 -16.565 41.505 75.827 1.00 0.00 C ATOM 22916 O4 U B1066 -17.169 41.764 76.891 1.00 0.00 O ATOM 22917 C5 U B1066 -17.052 41.795 74.493 1.00 0.00 C ATOM 22918 C6 U B1066 -16.261 41.552 73.416 1.00 0.00 C ATOM 22919 P A B1067 -16.858 37.440 69.881 1.00 0.00 P ATOM 22920 O1P A B1067 -16.554 36.293 69.003 1.00 0.00 O ATOM 22921 O2P A B1067 -18.026 38.266 69.516 1.00 0.00 O ATOM 22922 O5* A B1067 -17.098 36.910 71.386 1.00 0.00 O ATOM 22923 C5* A B1067 -17.981 35.804 71.536 1.00 0.00 C ATOM 22924 C4* A B1067 -17.350 34.806 72.530 1.00 0.00 C ATOM 22925 O4* A B1067 -16.384 34.017 71.795 1.00 0.00 O ATOM 22926 C3* A B1067 -16.532 35.379 73.619 1.00 0.00 C ATOM 22927 O3* A B1067 -17.334 35.838 74.666 1.00 0.00 O ATOM 22928 C2* A B1067 -15.615 34.327 74.073 1.00 0.00 C ATOM 22929 O2* A B1067 -16.130 33.639 75.214 1.00 0.00 O ATOM 22930 C1* A B1067 -15.454 33.539 72.774 1.00 0.00 C ATOM 22931 N9 A B1067 -14.093 33.573 72.201 1.00 0.00 N ATOM 22932 C8 A B1067 -13.606 34.154 71.058 1.00 0.00 C ATOM 22933 N7 A B1067 -12.350 33.924 70.844 1.00 0.00 N ATOM 22934 C5 A B1067 -11.980 33.163 71.935 1.00 0.00 C ATOM 22935 C6 A B1067 -10.761 32.587 72.318 1.00 0.00 C ATOM 22936 N6 A B1067 -9.611 32.711 71.619 1.00 0.00 N ATOM 22937 N1 A B1067 -10.749 31.890 73.446 1.00 0.00 N ATOM 22938 C2 A B1067 -11.880 31.723 74.131 1.00 0.00 C ATOM 22939 N3 A B1067 -13.064 32.208 73.867 1.00 0.00 N ATOM 22940 C4 A B1067 -13.027 32.928 72.764 1.00 0.00 C ATOM 22941 P G B1068 -16.906 37.178 75.381 1.00 0.00 P ATOM 22942 O1P G B1068 -17.840 37.463 76.495 1.00 0.00 O ATOM 22943 O2P G B1068 -16.808 38.268 74.385 1.00 0.00 O ATOM 22944 O5* G B1068 -15.413 36.847 75.860 1.00 0.00 O ATOM 22945 C5* G B1068 -15.323 35.888 76.933 1.00 0.00 C ATOM 22946 C4* G B1068 -13.921 35.773 77.608 1.00 0.00 C ATOM 22947 O4* G B1068 -13.087 34.912 76.717 1.00 0.00 O ATOM 22948 C3* G B1068 -13.143 37.058 77.812 1.00 0.00 C ATOM 22949 O3* G B1068 -13.400 37.546 79.135 1.00 0.00 O ATOM 22950 C2* G B1068 -11.678 36.674 77.611 1.00 0.00 C ATOM 22951 O2* G B1068 -11.042 36.445 78.851 1.00 0.00 O ATOM 22952 C1* G B1068 -11.799 35.503 76.612 1.00 0.00 C ATOM 22953 N9 G B1068 -11.600 36.048 75.285 1.00 0.00 N ATOM 22954 C8 G B1068 -12.480 36.786 74.560 1.00 0.00 C ATOM 22955 N7 G B1068 -12.055 37.086 73.368 1.00 0.00 N ATOM 22956 C5 G B1068 -10.809 36.519 73.331 1.00 0.00 C ATOM 22957 C6 G B1068 -9.848 36.532 72.280 1.00 0.00 C ATOM 22958 O6 G B1068 -9.924 37.067 71.189 1.00 0.00 O ATOM 22959 N1 G B1068 -8.720 35.798 72.625 1.00 0.00 N ATOM 22960 C2 G B1068 -8.554 35.164 73.812 1.00 0.00 C ATOM 22961 N2 G B1068 -7.425 34.477 73.903 1.00 0.00 N ATOM 22962 N3 G B1068 -9.384 35.183 74.805 1.00 0.00 N ATOM 22963 C4 G B1068 -10.500 35.896 74.479 1.00 0.00 C ATOM 22964 P A B1069 -13.400 39.104 79.456 1.00 0.00 P ATOM 22965 O1P A B1069 -13.406 39.323 80.921 1.00 0.00 O ATOM 22966 O2P A B1069 -14.566 39.752 78.815 1.00 0.00 O ATOM 22967 O5* A B1069 -12.051 39.520 78.796 1.00 0.00 O ATOM 22968 C5* A B1069 -11.053 39.898 79.741 1.00 0.00 C ATOM 22969 C4* A B1069 -10.103 40.743 78.941 1.00 0.00 C ATOM 22970 O4* A B1069 -9.883 40.007 77.727 1.00 0.00 O ATOM 22971 C3* A B1069 -10.656 42.055 78.468 1.00 0.00 C ATOM 22972 O3* A B1069 -9.630 43.044 78.526 1.00 0.00 O ATOM 22973 C2* A B1069 -11.222 41.802 77.094 1.00 0.00 C ATOM 22974 O2* A B1069 -11.608 42.994 76.431 1.00 0.00 O ATOM 22975 C1* A B1069 -10.059 40.933 76.663 1.00 0.00 C ATOM 22976 N9 A B1069 -9.795 40.315 75.368 1.00 0.00 N ATOM 22977 C8 A B1069 -10.634 40.190 74.301 1.00 0.00 C ATOM 22978 N7 A B1069 -9.997 39.775 73.244 1.00 0.00 N ATOM 22979 C5 A B1069 -8.706 39.599 73.658 1.00 0.00 C ATOM 22980 C6 A B1069 -7.554 39.224 72.969 1.00 0.00 C ATOM 22981 N6 A B1069 -7.545 39.022 71.632 1.00 0.00 N ATOM 22982 N1 A B1069 -6.449 39.027 73.681 1.00 0.00 N ATOM 22983 C2 A B1069 -6.488 39.225 74.960 1.00 0.00 C ATOM 22984 N3 A B1069 -7.494 39.622 75.760 1.00 0.00 N ATOM 22985 C4 A B1069 -8.576 39.826 75.014 1.00 0.00 C ATOM 22986 P A B1070 -9.712 44.135 79.638 1.00 0.00 P ATOM 22987 O1P A B1070 -11.108 44.524 79.870 1.00 0.00 O ATOM 22988 O2P A B1070 -8.732 45.204 79.363 1.00 0.00 O ATOM 22989 O5* A B1070 -9.209 43.401 81.001 1.00 0.00 O ATOM 22990 C5* A B1070 -7.818 43.587 81.381 1.00 0.00 C ATOM 22991 C4* A B1070 -7.483 43.425 82.895 1.00 0.00 C ATOM 22992 O4* A B1070 -8.676 42.805 83.546 1.00 0.00 O ATOM 22993 C3* A B1070 -6.213 42.546 83.143 1.00 0.00 C ATOM 22994 O3* A B1070 -5.091 43.154 83.787 1.00 0.00 O ATOM 22995 C2* A B1070 -6.734 41.324 83.879 1.00 0.00 C ATOM 22996 O2* A B1070 -5.787 40.859 84.827 1.00 0.00 O ATOM 22997 C1* A B1070 -8.063 41.810 84.375 1.00 0.00 C ATOM 22998 N9 A B1070 -8.630 40.534 83.992 1.00 0.00 N ATOM 22999 C8 A B1070 -8.806 40.019 82.753 1.00 0.00 C ATOM 23000 N7 A B1070 -9.395 38.871 82.751 1.00 0.00 N ATOM 23001 C5 A B1070 -9.616 38.612 84.065 1.00 0.00 C ATOM 23002 C6 A B1070 -10.168 37.558 84.706 1.00 0.00 C ATOM 23003 N6 A B1070 -10.577 36.437 84.063 1.00 0.00 N ATOM 23004 N1 A B1070 -10.307 37.613 86.022 1.00 0.00 N ATOM 23005 C2 A B1070 -9.873 38.722 86.650 1.00 0.00 C ATOM 23006 N3 A B1070 -9.268 39.774 86.144 1.00 0.00 N ATOM 23007 C4 A B1070 -9.154 39.628 84.837 1.00 0.00 C ATOM 23008 P G B1071 -5.229 43.961 85.147 1.00 0.00 P ATOM 23009 O1P G B1071 -4.497 43.315 86.255 1.00 0.00 O ATOM 23010 O2P G B1071 -6.605 44.308 85.417 1.00 0.00 O ATOM 23011 O5* G B1071 -4.411 45.261 84.732 1.00 0.00 O ATOM 23012 C5* G B1071 -5.104 46.388 84.246 1.00 0.00 C ATOM 23013 C4* G B1071 -4.202 47.121 83.310 1.00 0.00 C ATOM 23014 O4* G B1071 -3.027 47.583 83.957 1.00 0.00 O ATOM 23015 C3* G B1071 -3.788 46.183 82.187 1.00 0.00 C ATOM 23016 O3* G B1071 -4.782 46.433 81.136 1.00 0.00 O ATOM 23017 C2* G B1071 -2.477 46.911 81.858 1.00 0.00 C ATOM 23018 O2* G B1071 -2.697 48.023 81.058 1.00 0.00 O ATOM 23019 C1* G B1071 -1.929 47.351 83.140 1.00 0.00 C ATOM 23020 N9 G B1071 -0.992 46.452 83.840 1.00 0.00 N ATOM 23021 C8 G B1071 -1.169 45.799 85.010 1.00 0.00 C ATOM 23022 N7 G B1071 -0.187 44.988 85.319 1.00 0.00 N ATOM 23023 C5 G B1071 0.685 45.106 84.279 1.00 0.00 C ATOM 23024 C6 G B1071 1.910 44.484 84.092 1.00 0.00 C ATOM 23025 O6 G B1071 2.483 43.656 84.833 1.00 0.00 O ATOM 23026 N1 G B1071 2.524 44.923 82.922 1.00 0.00 N ATOM 23027 C2 G B1071 2.005 45.853 82.056 1.00 0.00 C ATOM 23028 N2 G B1071 2.753 46.206 81.003 1.00 0.00 N ATOM 23029 N3 G B1071 0.837 46.439 82.237 1.00 0.00 N ATOM 23030 C4 G B1071 0.227 46.014 83.366 1.00 0.00 C ATOM 23031 P C B1072 -4.822 45.588 79.771 1.00 0.00 P ATOM 23032 O1P C B1072 -5.862 46.187 78.849 1.00 0.00 O ATOM 23033 O2P C B1072 -5.003 44.156 80.082 1.00 0.00 O ATOM 23034 O5* C B1072 -3.341 45.845 79.231 1.00 0.00 O ATOM 23035 C5* C B1072 -3.055 45.694 77.873 1.00 0.00 C ATOM 23036 C4* C B1072 -1.592 45.373 77.664 1.00 0.00 C ATOM 23037 O4* C B1072 -0.809 45.544 78.844 1.00 0.00 O ATOM 23038 C3* C B1072 -1.457 43.939 77.315 1.00 0.00 C ATOM 23039 O3* C B1072 -1.771 43.787 75.923 1.00 0.00 O ATOM 23040 C2* C B1072 0.065 43.852 77.507 1.00 0.00 C ATOM 23041 O2* C B1072 0.749 44.489 76.444 1.00 0.00 O ATOM 23042 C1* C B1072 0.272 44.600 78.799 1.00 0.00 C ATOM 23043 N1 C B1072 0.251 43.722 80.046 1.00 0.00 N ATOM 23044 C2 C B1072 1.358 42.898 80.301 1.00 0.00 C ATOM 23045 O2 C B1072 2.377 42.961 79.592 1.00 0.00 O ATOM 23046 N3 C B1072 1.300 42.064 81.381 1.00 0.00 N ATOM 23047 C4 C B1072 0.204 42.046 82.163 1.00 0.00 C ATOM 23048 N4 C B1072 0.150 41.189 83.174 1.00 0.00 N ATOM 23049 C5 C B1072 -0.912 42.877 81.916 1.00 0.00 C ATOM 23050 C6 C B1072 -0.839 43.703 80.856 1.00 0.00 C ATOM 23051 P A B1073 -3.005 42.854 75.556 1.00 0.00 P ATOM 23052 O1P A B1073 -4.271 43.404 76.090 1.00 0.00 O ATOM 23053 O2P A B1073 -2.680 41.438 75.826 1.00 0.00 O ATOM 23054 O5* A B1073 -3.100 43.048 73.977 1.00 0.00 O ATOM 23055 C5* A B1073 -2.479 42.040 73.167 1.00 0.00 C ATOM 23056 C4* A B1073 -2.976 42.061 71.741 1.00 0.00 C ATOM 23057 O4* A B1073 -4.194 41.275 71.678 1.00 0.00 O ATOM 23058 C3* A B1073 -3.399 43.351 71.159 1.00 0.00 C ATOM 23059 O3* A B1073 -2.368 43.926 70.445 1.00 0.00 O ATOM 23060 C2* A B1073 -4.443 43.074 70.116 1.00 0.00 C ATOM 23061 O2* A B1073 -3.821 42.997 68.840 1.00 0.00 O ATOM 23062 C1* A B1073 -5.110 41.862 70.734 1.00 0.00 C ATOM 23063 N9 A B1073 -6.348 42.150 71.479 1.00 0.00 N ATOM 23064 C8 A B1073 -6.502 42.188 72.825 1.00 0.00 C ATOM 23065 N7 A B1073 -7.697 42.566 73.250 1.00 0.00 N ATOM 23066 C5 A B1073 -8.376 42.779 72.087 1.00 0.00 C ATOM 23067 C6 A B1073 -9.705 43.177 71.842 1.00 0.00 C ATOM 23068 N6 A B1073 -10.611 43.379 72.818 1.00 0.00 N ATOM 23069 N1 A B1073 -10.024 43.358 70.599 1.00 0.00 N ATOM 23070 C2 A B1073 -9.091 43.157 69.628 1.00 0.00 C ATOM 23071 N3 A B1073 -7.861 42.750 69.719 1.00 0.00 N ATOM 23072 C4 A B1073 -7.573 42.543 71.021 1.00 0.00 C ATOM 23073 P G B1074 -2.390 45.485 70.332 1.00 0.00 P ATOM 23074 O1P G B1074 -1.579 45.951 69.192 1.00 0.00 O ATOM 23075 O2P G B1074 -2.455 46.125 71.658 1.00 0.00 O ATOM 23076 O5* G B1074 -3.859 45.729 69.814 1.00 0.00 O ATOM 23077 C5* G B1074 -3.987 46.183 68.470 1.00 0.00 C ATOM 23078 C4* G B1074 -5.416 46.555 68.234 1.00 0.00 C ATOM 23079 O4* G B1074 -6.254 45.661 69.001 1.00 0.00 O ATOM 23080 C3* G B1074 -5.886 47.884 68.793 1.00 0.00 C ATOM 23081 O3* G B1074 -5.408 48.991 68.107 1.00 0.00 O ATOM 23082 C2* G B1074 -7.351 47.735 68.755 1.00 0.00 C ATOM 23083 O2* G B1074 -7.859 48.039 67.460 1.00 0.00 O ATOM 23084 C1* G B1074 -7.439 46.360 69.403 1.00 0.00 C ATOM 23085 N9 G B1074 -7.613 46.120 70.814 1.00 0.00 N ATOM 23086 C8 G B1074 -6.752 45.600 71.740 1.00 0.00 C ATOM 23087 N7 G B1074 -7.246 45.564 72.945 1.00 0.00 N ATOM 23088 C5 G B1074 -8.525 46.066 72.789 1.00 0.00 C ATOM 23089 C6 G B1074 -9.543 46.224 73.751 1.00 0.00 C ATOM 23090 O6 G B1074 -9.544 45.917 74.936 1.00 0.00 O ATOM 23091 N1 G B1074 -10.678 46.842 73.183 1.00 0.00 N ATOM 23092 C2 G B1074 -10.782 47.191 71.848 1.00 0.00 C ATOM 23093 N2 G B1074 -11.946 47.718 71.510 1.00 0.00 N ATOM 23094 N3 G B1074 -9.843 47.022 70.957 1.00 0.00 N ATOM 23095 C4 G B1074 -8.752 46.424 71.494 1.00 0.00 C ATOM 23096 P C B1075 -6.021 50.356 68.469 1.00 0.00 P ATOM 23097 O1P C B1075 -5.695 51.366 67.429 1.00 0.00 O ATOM 23098 O2P C B1075 -5.689 50.709 69.871 1.00 0.00 O ATOM 23099 O5* C B1075 -7.554 50.048 68.441 1.00 0.00 O ATOM 23100 C5* C B1075 -8.262 50.889 67.539 1.00 0.00 C ATOM 23101 C4* C B1075 -9.470 51.490 68.192 1.00 0.00 C ATOM 23102 O4* C B1075 -9.979 50.527 69.111 1.00 0.00 O ATOM 23103 C3* C B1075 -9.287 52.752 69.020 1.00 0.00 C ATOM 23104 O3* C B1075 -9.001 53.862 68.200 1.00 0.00 O ATOM 23105 C2* C B1075 -10.509 52.720 69.874 1.00 0.00 C ATOM 23106 O2* C B1075 -11.603 53.335 69.202 1.00 0.00 O ATOM 23107 C1* C B1075 -10.544 51.221 70.217 1.00 0.00 C ATOM 23108 N1 C B1075 -9.825 50.780 71.388 1.00 0.00 N ATOM 23109 C2 C B1075 -10.469 50.922 72.566 1.00 0.00 C ATOM 23110 O2 C B1075 -11.596 51.445 72.597 1.00 0.00 O ATOM 23111 N3 C B1075 -9.907 50.501 73.723 1.00 0.00 N ATOM 23112 C4 C B1075 -8.704 49.928 73.661 1.00 0.00 C ATOM 23113 N4 C B1075 -8.162 49.467 74.763 1.00 0.00 N ATOM 23114 C5 C B1075 -7.960 49.804 72.414 1.00 0.00 C ATOM 23115 C6 C B1075 -8.574 50.251 71.292 1.00 0.00 C ATOM 23116 P C B1076 -8.617 55.257 68.867 1.00 0.00 P ATOM 23117 O1P C B1076 -8.473 56.258 67.754 1.00 0.00 O ATOM 23118 O2P C B1076 -7.412 55.054 69.704 1.00 0.00 O ATOM 23119 O5* C B1076 -9.912 55.625 69.797 1.00 0.00 O ATOM 23120 C5* C B1076 -9.736 56.551 70.878 1.00 0.00 C ATOM 23121 C4* C B1076 -10.962 56.668 71.738 1.00 0.00 C ATOM 23122 O4* C B1076 -11.444 55.406 72.174 1.00 0.00 O ATOM 23123 C3* C B1076 -10.595 57.381 72.967 1.00 0.00 C ATOM 23124 O3* C B1076 -10.848 58.703 72.740 1.00 0.00 O ATOM 23125 C2* C B1076 -11.553 56.898 74.030 1.00 0.00 C ATOM 23126 O2* C B1076 -12.808 57.577 73.955 1.00 0.00 O ATOM 23127 C1* C B1076 -11.676 55.438 73.615 1.00 0.00 C ATOM 23128 N1 C B1076 -10.607 54.652 74.272 1.00 0.00 N ATOM 23129 C2 C B1076 -10.583 54.586 75.622 1.00 0.00 C ATOM 23130 O2 C B1076 -11.458 55.089 76.285 1.00 0.00 O ATOM 23131 N3 C B1076 -9.587 53.898 76.210 1.00 0.00 N ATOM 23132 C4 C B1076 -8.652 53.302 75.484 1.00 0.00 C ATOM 23133 N4 C B1076 -7.669 52.651 76.105 1.00 0.00 N ATOM 23134 C5 C B1076 -8.663 53.366 74.079 1.00 0.00 C ATOM 23135 C6 C B1076 -9.666 54.044 73.526 1.00 0.00 C ATOM 23136 P A B1077 -9.619 59.672 72.708 1.00 0.00 P ATOM 23137 O1P A B1077 -9.709 60.568 71.522 1.00 0.00 O ATOM 23138 O2P A B1077 -8.368 58.883 72.652 1.00 0.00 O ATOM 23139 O5* A B1077 -9.751 60.453 74.060 1.00 0.00 O ATOM 23140 C5* A B1077 -8.774 60.051 75.008 1.00 0.00 C ATOM 23141 C4* A B1077 -9.480 59.577 76.234 1.00 0.00 C ATOM 23142 O4* A B1077 -9.610 58.148 76.194 1.00 0.00 O ATOM 23143 C3* A B1077 -8.721 59.901 77.504 1.00 0.00 C ATOM 23144 O3* A B1077 -8.953 61.240 77.907 1.00 0.00 O ATOM 23145 C2* A B1077 -9.176 58.929 78.509 1.00 0.00 C ATOM 23146 O2* A B1077 -10.133 59.522 79.368 1.00 0.00 O ATOM 23147 C1* A B1077 -9.475 57.758 77.558 1.00 0.00 C ATOM 23148 N9 A B1077 -8.325 56.872 77.545 1.00 0.00 N ATOM 23149 C8 A B1077 -7.454 56.630 76.530 1.00 0.00 C ATOM 23150 N7 A B1077 -6.590 55.723 76.822 1.00 0.00 N ATOM 23151 C5 A B1077 -6.893 55.341 78.112 1.00 0.00 C ATOM 23152 C6 A B1077 -6.368 54.405 78.968 1.00 0.00 C ATOM 23153 N6 A B1077 -5.334 53.610 78.618 1.00 0.00 N ATOM 23154 N1 A B1077 -6.935 54.301 80.182 1.00 0.00 N ATOM 23155 C2 A B1077 -7.970 55.067 80.499 1.00 0.00 C ATOM 23156 N3 A B1077 -8.537 55.967 79.766 1.00 0.00 N ATOM 23157 C4 A B1077 -7.941 56.062 78.566 1.00 0.00 C ATOM 23158 P U B1078 -7.771 62.150 78.478 1.00 0.00 P ATOM 23159 O1P U B1078 -8.326 63.326 79.174 1.00 0.00 O ATOM 23160 O2P U B1078 -6.793 62.444 77.406 1.00 0.00 O ATOM 23161 O5* U B1078 -7.093 61.145 79.498 1.00 0.00 O ATOM 23162 C5* U B1078 -7.860 60.900 80.672 1.00 0.00 C ATOM 23163 C4* U B1078 -7.122 59.873 81.510 1.00 0.00 C ATOM 23164 O4* U B1078 -6.965 58.706 80.685 1.00 0.00 O ATOM 23165 C3* U B1078 -5.694 60.242 81.841 1.00 0.00 C ATOM 23166 O3* U B1078 -5.587 61.072 82.979 1.00 0.00 O ATOM 23167 C2* U B1078 -5.007 58.919 82.084 1.00 0.00 C ATOM 23168 O2* U B1078 -5.006 58.592 83.471 1.00 0.00 O ATOM 23169 C1* U B1078 -5.749 58.022 81.072 1.00 0.00 C ATOM 23170 N1 U B1078 -5.022 57.645 79.849 1.00 0.00 N ATOM 23171 C2 U B1078 -4.043 56.721 80.020 1.00 0.00 C ATOM 23172 O2 U B1078 -3.738 56.274 81.097 1.00 0.00 O ATOM 23173 N3 U B1078 -3.399 56.305 78.861 1.00 0.00 N ATOM 23174 C4 U B1078 -3.625 56.750 77.581 1.00 0.00 C ATOM 23175 O4 U B1078 -2.975 56.280 76.643 1.00 0.00 O ATOM 23176 C5 U B1078 -4.664 57.766 77.530 1.00 0.00 C ATOM 23177 C6 U B1078 -5.331 58.175 78.619 1.00 0.00 C ATOM 23178 P C B1079 -5.541 62.677 82.871 1.00 0.00 P ATOM 23179 O1P C B1079 -5.659 63.127 81.475 1.00 0.00 O ATOM 23180 O2P C B1079 -4.326 63.157 83.574 1.00 0.00 O ATOM 23181 O5* C B1079 -6.884 63.051 83.725 1.00 0.00 O ATOM 23182 C5* C B1079 -6.830 62.781 85.154 1.00 0.00 C ATOM 23183 C4* C B1079 -8.120 62.258 85.733 1.00 0.00 C ATOM 23184 O4* C B1079 -8.384 60.944 85.324 1.00 0.00 O ATOM 23185 C3* C B1079 -7.972 62.137 87.209 1.00 0.00 C ATOM 23186 O3* C B1079 -8.192 63.389 87.812 1.00 0.00 O ATOM 23187 C2* C B1079 -9.139 61.249 87.541 1.00 0.00 C ATOM 23188 O2* C B1079 -10.396 61.941 87.529 1.00 0.00 O ATOM 23189 C1* C B1079 -9.020 60.256 86.416 1.00 0.00 C ATOM 23190 N1 C B1079 -8.169 59.094 86.825 1.00 0.00 N ATOM 23191 C2 C B1079 -8.618 58.260 87.833 1.00 0.00 C ATOM 23192 O2 C B1079 -9.618 58.485 88.420 1.00 0.00 O ATOM 23193 N3 C B1079 -7.917 57.225 88.138 1.00 0.00 N ATOM 23194 C4 C B1079 -6.798 56.967 87.518 1.00 0.00 C ATOM 23195 N4 C B1079 -6.130 55.898 87.873 1.00 0.00 N ATOM 23196 C5 C B1079 -6.286 57.795 86.496 1.00 0.00 C ATOM 23197 C6 C B1079 -7.022 58.850 86.178 1.00 0.00 C ATOM 23198 P A B1080 -7.037 63.959 88.748 1.00 0.00 P ATOM 23199 O1P A B1080 -7.078 65.432 88.735 1.00 0.00 O ATOM 23200 O2P A B1080 -5.720 63.328 88.360 1.00 0.00 O ATOM 23201 O5* A B1080 -7.485 63.427 90.196 1.00 0.00 O ATOM 23202 C5* A B1080 -8.872 63.351 90.523 1.00 0.00 C ATOM 23203 C4* A B1080 -9.150 62.113 91.352 1.00 0.00 C ATOM 23204 O4* A B1080 -8.977 60.942 90.591 1.00 0.00 O ATOM 23205 C3* A B1080 -8.137 61.965 92.501 1.00 0.00 C ATOM 23206 O3* A B1080 -8.524 62.833 93.565 1.00 0.00 O ATOM 23207 C2* A B1080 -8.651 60.555 92.854 1.00 0.00 C ATOM 23208 O2* A B1080 -9.889 60.601 93.562 1.00 0.00 O ATOM 23209 C1* A B1080 -8.849 59.886 91.524 1.00 0.00 C ATOM 23210 N9 A B1080 -7.713 58.991 91.208 1.00 0.00 N ATOM 23211 C8 A B1080 -6.653 59.202 90.377 1.00 0.00 C ATOM 23212 N7 A B1080 -5.783 58.227 90.380 1.00 0.00 N ATOM 23213 C5 A B1080 -6.332 57.320 91.292 1.00 0.00 C ATOM 23214 C6 A B1080 -5.942 56.058 91.691 1.00 0.00 C ATOM 23215 N6 A B1080 -4.817 55.495 91.278 1.00 0.00 N ATOM 23216 N1 A B1080 -6.756 55.387 92.528 1.00 0.00 N ATOM 23217 C2 A B1080 -7.863 55.963 92.932 1.00 0.00 C ATOM 23218 N3 A B1080 -8.332 57.141 92.639 1.00 0.00 N ATOM 23219 C4 A B1080 -7.498 57.773 91.794 1.00 0.00 C ATOM 23220 P U B1081 -7.554 62.812 94.775 1.00 0.00 P ATOM 23221 O1P U B1081 -8.037 63.719 95.850 1.00 0.00 O ATOM 23222 O2P U B1081 -6.134 62.722 94.356 1.00 0.00 O ATOM 23223 O5* U B1081 -7.709 61.314 95.267 1.00 0.00 O ATOM 23224 C5* U B1081 -8.661 61.063 96.257 1.00 0.00 C ATOM 23225 C4* U B1081 -8.541 59.609 96.648 1.00 0.00 C ATOM 23226 O4* U B1081 -7.968 58.829 95.555 1.00 0.00 O ATOM 23227 C3* U B1081 -7.495 59.299 97.660 1.00 0.00 C ATOM 23228 O3* U B1081 -8.074 59.318 98.913 1.00 0.00 O ATOM 23229 C2* U B1081 -7.109 57.880 97.569 1.00 0.00 C ATOM 23230 O2* U B1081 -7.895 57.070 98.422 1.00 0.00 O ATOM 23231 C1* U B1081 -7.219 57.715 96.077 1.00 0.00 C ATOM 23232 N1 U B1081 -5.844 57.630 95.434 1.00 0.00 N ATOM 23233 C2 U B1081 -5.110 56.460 95.615 1.00 0.00 C ATOM 23234 O2 U B1081 -5.463 55.500 96.296 1.00 0.00 O ATOM 23235 N3 U B1081 -3.888 56.412 94.929 1.00 0.00 N ATOM 23236 C4 U B1081 -3.366 57.438 94.138 1.00 0.00 C ATOM 23237 O4 U B1081 -2.287 57.297 93.568 1.00 0.00 O ATOM 23238 C5 U B1081 -4.203 58.616 94.080 1.00 0.00 C ATOM 23239 C6 U B1081 -5.375 58.688 94.699 1.00 0.00 C ATOM 23240 P U B1082 -7.389 60.261 99.974 1.00 0.00 P ATOM 23241 O1P U B1082 -8.316 60.543 101.090 1.00 0.00 O ATOM 23242 O2P U B1082 -6.909 61.491 99.307 1.00 0.00 O ATOM 23243 O5* U B1082 -6.202 59.344 100.480 1.00 0.00 O ATOM 23244 C5* U B1082 -6.561 58.328 101.430 1.00 0.00 C ATOM 23245 C4* U B1082 -5.402 57.343 101.533 1.00 0.00 C ATOM 23246 O4* U B1082 -5.089 56.913 100.168 1.00 0.00 O ATOM 23247 C3* U B1082 -4.086 57.913 101.947 1.00 0.00 C ATOM 23248 O3* U B1082 -3.953 58.217 103.324 1.00 0.00 O ATOM 23249 C2* U B1082 -3.089 56.921 101.470 1.00 0.00 C ATOM 23250 O2* U B1082 -2.735 56.015 102.503 1.00 0.00 O ATOM 23251 C1* U B1082 -3.764 56.402 100.224 1.00 0.00 C ATOM 23252 N1 U B1082 -2.921 56.870 99.075 1.00 0.00 N ATOM 23253 C2 U B1082 -1.859 56.097 98.656 1.00 0.00 C ATOM 23254 O2 U B1082 -1.565 55.062 99.224 1.00 0.00 O ATOM 23255 N3 U B1082 -1.168 56.547 97.592 1.00 0.00 N ATOM 23256 C4 U B1082 -1.420 57.721 96.914 1.00 0.00 C ATOM 23257 O4 U B1082 -0.702 58.033 95.973 1.00 0.00 O ATOM 23258 C5 U B1082 -2.530 58.490 97.412 1.00 0.00 C ATOM 23259 C6 U B1082 -3.250 58.054 98.465 1.00 0.00 C ATOM 23260 P U B1083 -2.729 59.082 103.838 1.00 0.00 P ATOM 23261 O1P U B1083 -2.608 58.962 105.305 1.00 0.00 O ATOM 23262 O2P U B1083 -2.854 60.470 103.357 1.00 0.00 O ATOM 23263 O5* U B1083 -1.498 58.346 103.076 1.00 0.00 O ATOM 23264 C5* U B1083 -0.315 59.081 102.683 1.00 0.00 C ATOM 23265 C4* U B1083 0.728 58.113 102.117 1.00 0.00 C ATOM 23266 O4* U B1083 0.202 57.634 100.830 1.00 0.00 O ATOM 23267 C3* U B1083 2.107 58.664 101.847 1.00 0.00 C ATOM 23268 O3* U B1083 2.969 58.609 102.974 1.00 0.00 O ATOM 23269 C2* U B1083 2.560 57.833 100.671 1.00 0.00 C ATOM 23270 O2* U B1083 3.256 56.683 101.124 1.00 0.00 O ATOM 23271 C1* U B1083 1.267 57.624 99.902 1.00 0.00 C ATOM 23272 N1 U B1083 1.074 58.717 98.906 1.00 0.00 N ATOM 23273 C2 U B1083 1.879 58.736 97.790 1.00 0.00 C ATOM 23274 O2 U B1083 2.726 57.893 97.538 1.00 0.00 O ATOM 23275 N3 U B1083 1.616 59.824 96.920 1.00 0.00 N ATOM 23276 C4 U B1083 0.661 60.846 97.105 1.00 0.00 C ATOM 23277 O4 U B1083 0.536 61.751 96.260 1.00 0.00 O ATOM 23278 C5 U B1083 -0.113 60.699 98.304 1.00 0.00 C ATOM 23279 C6 U B1083 0.106 59.676 99.162 1.00 0.00 C ATOM 23280 P A B1084 3.792 59.861 103.505 1.00 0.00 P ATOM 23281 O1P A B1084 3.902 59.804 104.982 1.00 0.00 O ATOM 23282 O2P A B1084 3.181 61.113 102.987 1.00 0.00 O ATOM 23283 O5* A B1084 5.242 59.599 102.905 1.00 0.00 O ATOM 23284 C5* A B1084 6.097 60.718 102.663 1.00 0.00 C ATOM 23285 C4* A B1084 7.151 60.250 101.687 1.00 0.00 C ATOM 23286 O4* A B1084 7.837 59.146 102.338 1.00 0.00 O ATOM 23287 C3* A B1084 6.641 59.719 100.377 1.00 0.00 C ATOM 23288 O3* A B1084 6.580 60.764 99.448 1.00 0.00 O ATOM 23289 C2* A B1084 7.631 58.678 99.960 1.00 0.00 C ATOM 23290 O2* A B1084 8.567 59.226 99.039 1.00 0.00 O ATOM 23291 C1* A B1084 8.079 58.147 101.313 1.00 0.00 C ATOM 23292 N9 A B1084 7.472 56.815 101.697 1.00 0.00 N ATOM 23293 C8 A B1084 6.363 56.524 102.468 1.00 0.00 C ATOM 23294 N7 A B1084 6.124 55.256 102.611 1.00 0.00 N ATOM 23295 C5 A B1084 7.138 54.654 101.898 1.00 0.00 C ATOM 23296 C6 A B1084 7.463 53.276 101.626 1.00 0.00 C ATOM 23297 N6 A B1084 6.749 52.236 102.099 1.00 0.00 N ATOM 23298 N1 A B1084 8.527 52.998 100.837 1.00 0.00 N ATOM 23299 C2 A B1084 9.234 54.042 100.355 1.00 0.00 C ATOM 23300 N3 A B1084 9.027 55.352 100.543 1.00 0.00 N ATOM 23301 C4 A B1084 7.976 55.574 101.351 1.00 0.00 C ATOM 23302 P A B1085 5.293 60.897 98.598 1.00 0.00 P ATOM 23303 O1P A B1085 5.376 62.120 97.766 1.00 0.00 O ATOM 23304 O2P A B1085 4.091 60.840 99.469 1.00 0.00 O ATOM 23305 O5* A B1085 5.460 59.597 97.661 1.00 0.00 O ATOM 23306 C5* A B1085 6.459 59.694 96.637 1.00 0.00 C ATOM 23307 C4* A B1085 6.844 58.365 96.085 1.00 0.00 C ATOM 23308 O4* A B1085 7.186 57.447 97.076 1.00 0.00 O ATOM 23309 C3* A B1085 5.709 57.794 95.356 1.00 0.00 C ATOM 23310 O3* A B1085 5.869 58.191 94.036 1.00 0.00 O ATOM 23311 C2* A B1085 5.989 56.318 95.395 1.00 0.00 C ATOM 23312 O2* A B1085 6.755 55.890 94.264 1.00 0.00 O ATOM 23313 C1* A B1085 6.746 56.150 96.660 1.00 0.00 C ATOM 23314 N9 A B1085 5.826 55.614 97.658 1.00 0.00 N ATOM 23315 C8 A B1085 4.940 56.301 98.454 1.00 0.00 C ATOM 23316 N7 A B1085 4.307 55.544 99.311 1.00 0.00 N ATOM 23317 C5 A B1085 4.802 54.265 99.046 1.00 0.00 C ATOM 23318 C6 A B1085 4.552 53.014 99.647 1.00 0.00 C ATOM 23319 N6 A B1085 3.655 52.852 100.629 1.00 0.00 N ATOM 23320 N1 A B1085 5.247 51.951 99.194 1.00 0.00 N ATOM 23321 C2 A B1085 6.120 52.131 98.194 1.00 0.00 C ATOM 23322 N3 A B1085 6.436 53.246 97.537 1.00 0.00 N ATOM 23323 C4 A B1085 5.725 54.291 98.038 1.00 0.00 C ATOM 23324 P A B1086 4.571 58.703 93.243 1.00 0.00 P ATOM 23325 O1P A B1086 4.951 59.701 92.199 1.00 0.00 O ATOM 23326 O2P A B1086 3.489 59.064 94.194 1.00 0.00 O ATOM 23327 O5* A B1086 4.031 57.387 92.538 1.00 0.00 O ATOM 23328 C5* A B1086 5.000 56.659 91.786 1.00 0.00 C ATOM 23329 C4* A B1086 4.534 55.221 91.663 1.00 0.00 C ATOM 23330 O4* A B1086 4.990 54.567 92.892 1.00 0.00 O ATOM 23331 C3* A B1086 3.045 54.996 91.571 1.00 0.00 C ATOM 23332 O3* A B1086 2.479 55.297 90.284 1.00 0.00 O ATOM 23333 C2* A B1086 2.930 53.603 92.117 1.00 0.00 C ATOM 23334 O2* A B1086 2.969 52.654 91.065 1.00 0.00 O ATOM 23335 C1* A B1086 4.109 53.495 93.102 1.00 0.00 C ATOM 23336 N9 A B1086 3.627 53.363 94.512 1.00 0.00 N ATOM 23337 C8 A B1086 3.977 52.380 95.412 1.00 0.00 C ATOM 23338 N7 A B1086 3.309 52.457 96.517 1.00 0.00 N ATOM 23339 C5 A B1086 2.467 53.549 96.302 1.00 0.00 C ATOM 23340 C6 A B1086 1.451 54.174 97.109 1.00 0.00 C ATOM 23341 N6 A B1086 1.096 53.703 98.330 1.00 0.00 N ATOM 23342 N1 A B1086 0.814 55.263 96.643 1.00 0.00 N ATOM 23343 C2 A B1086 1.166 55.714 95.436 1.00 0.00 C ATOM 23344 N3 A B1086 2.073 55.219 94.619 1.00 0.00 N ATOM 23345 C4 A B1086 2.683 54.134 95.100 1.00 0.00 C ATOM 23346 P G B1087 0.887 55.453 90.015 1.00 0.00 P ATOM 23347 O1P G B1087 0.431 56.745 90.537 1.00 0.00 O ATOM 23348 O2P G B1087 0.175 54.290 90.527 1.00 0.00 O ATOM 23349 O5* G B1087 0.815 55.476 88.435 1.00 0.00 O ATOM 23350 C5* G B1087 1.145 56.641 87.757 1.00 0.00 C ATOM 23351 C4* G B1087 1.241 56.391 86.251 1.00 0.00 C ATOM 23352 O4* G B1087 2.363 55.564 85.918 1.00 0.00 O ATOM 23353 C3* G B1087 -0.010 55.721 85.732 1.00 0.00 C ATOM 23354 O3* G B1087 -0.811 56.743 85.177 1.00 0.00 O ATOM 23355 C2* G B1087 0.558 54.929 84.557 1.00 0.00 C ATOM 23356 O2* G B1087 0.576 55.746 83.361 1.00 0.00 O ATOM 23357 C1* G B1087 1.965 54.551 84.999 1.00 0.00 C ATOM 23358 N9 G B1087 2.377 53.262 85.626 1.00 0.00 N ATOM 23359 C8 G B1087 1.841 52.667 86.704 1.00 0.00 C ATOM 23360 N7 G B1087 2.558 51.711 87.195 1.00 0.00 N ATOM 23361 C5 G B1087 3.648 51.647 86.372 1.00 0.00 C ATOM 23362 C6 G B1087 4.736 50.734 86.405 1.00 0.00 C ATOM 23363 O6 G B1087 5.011 49.892 87.296 1.00 0.00 O ATOM 23364 N1 G B1087 5.603 50.926 85.323 1.00 0.00 N ATOM 23365 C2 G B1087 5.435 51.887 84.351 1.00 0.00 C ATOM 23366 N2 G B1087 6.358 51.949 83.371 1.00 0.00 N ATOM 23367 N3 G B1087 4.407 52.760 84.348 1.00 0.00 N ATOM 23368 C4 G B1087 3.556 52.570 85.392 1.00 0.00 C ATOM 23369 P A B1088 -2.079 57.245 85.979 1.00 0.00 P ATOM 23370 O1P A B1088 -2.613 58.485 85.354 1.00 0.00 O ATOM 23371 O2P A B1088 -1.782 57.286 87.431 1.00 0.00 O ATOM 23372 O5* A B1088 -3.146 56.090 85.788 1.00 0.00 O ATOM 23373 C5* A B1088 -3.455 55.736 84.471 1.00 0.00 C ATOM 23374 C4* A B1088 -3.417 54.277 84.389 1.00 0.00 C ATOM 23375 O4* A B1088 -4.515 53.754 85.188 1.00 0.00 O ATOM 23376 C3* A B1088 -3.647 53.700 83.066 1.00 0.00 C ATOM 23377 O3* A B1088 -2.940 52.498 83.068 1.00 0.00 O ATOM 23378 C2* A B1088 -5.126 53.511 82.866 1.00 0.00 C ATOM 23379 O2* A B1088 -5.414 52.609 81.804 1.00 0.00 O ATOM 23380 C1* A B1088 -5.503 53.165 84.303 1.00 0.00 C ATOM 23381 N9 A B1088 -6.787 53.524 84.929 1.00 0.00 N ATOM 23382 C8 A B1088 -7.450 52.786 85.826 1.00 0.00 C ATOM 23383 N7 A B1088 -8.525 53.368 86.258 1.00 0.00 N ATOM 23384 C5 A B1088 -8.545 54.604 85.607 1.00 0.00 C ATOM 23385 C6 A B1088 -9.423 55.729 85.643 1.00 0.00 C ATOM 23386 N6 A B1088 -10.506 55.792 86.435 1.00 0.00 N ATOM 23387 N1 A B1088 -9.103 56.755 84.850 1.00 0.00 N ATOM 23388 C2 A B1088 -7.993 56.667 84.093 1.00 0.00 C ATOM 23389 N3 A B1088 -7.108 55.711 83.970 1.00 0.00 N ATOM 23390 C4 A B1088 -7.497 54.686 84.747 1.00 0.00 C ATOM 23391 P A B1089 -2.726 51.756 81.705 1.00 0.00 P ATOM 23392 O1P A B1089 -2.942 52.681 80.563 1.00 0.00 O ATOM 23393 O2P A B1089 -3.471 50.474 81.695 1.00 0.00 O ATOM 23394 O5* A B1089 -1.183 51.437 81.722 1.00 0.00 O ATOM 23395 C5* A B1089 -0.376 52.619 81.752 1.00 0.00 C ATOM 23396 C4* A B1089 1.062 52.223 81.808 1.00 0.00 C ATOM 23397 O4* A B1089 1.343 51.958 83.207 1.00 0.00 O ATOM 23398 C3* A B1089 1.476 51.002 81.045 1.00 0.00 C ATOM 23399 O3* A B1089 2.823 51.158 80.627 1.00 0.00 O ATOM 23400 C2* A B1089 1.229 49.809 81.973 1.00 0.00 C ATOM 23401 O2* A B1089 1.774 48.614 81.426 1.00 0.00 O ATOM 23402 C1* A B1089 1.700 50.544 83.224 1.00 0.00 C ATOM 23403 N9 A B1089 0.918 49.917 84.282 1.00 0.00 N ATOM 23404 C8 A B1089 -0.379 50.154 84.597 1.00 0.00 C ATOM 23405 N7 A B1089 -0.780 49.479 85.640 1.00 0.00 N ATOM 23406 C5 A B1089 0.334 48.771 86.004 1.00 0.00 C ATOM 23407 C6 A B1089 0.558 47.876 87.010 1.00 0.00 C ATOM 23408 N6 A B1089 -0.396 47.464 87.862 1.00 0.00 N ATOM 23409 N1 A B1089 1.785 47.407 87.122 1.00 0.00 N ATOM 23410 C2 A B1089 2.730 47.819 86.238 1.00 0.00 C ATOM 23411 N3 A B1089 2.625 48.618 85.239 1.00 0.00 N ATOM 23412 C4 A B1089 1.390 49.033 85.171 1.00 0.00 C ATOM 23413 P A B1090 3.192 52.270 79.516 1.00 0.00 P ATOM 23414 O1P A B1090 3.998 53.339 80.150 1.00 0.00 O ATOM 23415 O2P A B1090 1.965 52.734 78.819 1.00 0.00 O ATOM 23416 O5* A B1090 4.056 51.454 78.458 1.00 0.00 O ATOM 23417 C5* A B1090 5.213 52.129 78.007 1.00 0.00 C ATOM 23418 C4* A B1090 6.445 51.330 78.343 1.00 0.00 C ATOM 23419 O4* A B1090 6.691 51.376 79.747 1.00 0.00 O ATOM 23420 C3* A B1090 6.355 49.874 78.075 1.00 0.00 C ATOM 23421 O3* A B1090 6.457 49.668 76.702 1.00 0.00 O ATOM 23422 C2* A B1090 7.478 49.261 78.827 1.00 0.00 C ATOM 23423 O2* A B1090 8.610 49.111 77.979 1.00 0.00 O ATOM 23424 C1* A B1090 7.341 50.152 80.067 1.00 0.00 C ATOM 23425 N9 A B1090 6.546 49.549 81.171 1.00 0.00 N ATOM 23426 C8 A B1090 5.315 49.946 81.617 1.00 0.00 C ATOM 23427 N7 A B1090 4.861 49.212 82.561 1.00 0.00 N ATOM 23428 C5 A B1090 5.852 48.248 82.767 1.00 0.00 C ATOM 23429 C6 A B1090 5.987 47.147 83.659 1.00 0.00 C ATOM 23430 N6 A B1090 5.047 46.845 84.561 1.00 0.00 N ATOM 23431 N1 A B1090 7.094 46.407 83.553 1.00 0.00 N ATOM 23432 C2 A B1090 8.004 46.709 82.622 1.00 0.00 C ATOM 23433 N3 A B1090 8.009 47.692 81.756 1.00 0.00 N ATOM 23434 C4 A B1090 6.914 48.450 81.905 1.00 0.00 C ATOM 23435 P G B1091 6.048 48.292 76.059 1.00 0.00 P ATOM 23436 O1P G B1091 6.492 48.229 74.652 1.00 0.00 O ATOM 23437 O2P G B1091 4.603 48.029 76.284 1.00 0.00 O ATOM 23438 O5* G B1091 6.937 47.266 76.895 1.00 0.00 O ATOM 23439 C5* G B1091 6.989 45.914 76.382 1.00 0.00 C ATOM 23440 C4* G B1091 8.277 45.241 76.831 1.00 0.00 C ATOM 23441 O4* G B1091 8.602 45.745 78.138 1.00 0.00 O ATOM 23442 C3* G B1091 8.102 43.732 76.978 1.00 0.00 C ATOM 23443 O3* G B1091 8.023 43.130 75.691 1.00 0.00 O ATOM 23444 C2* G B1091 9.109 43.455 78.071 1.00 0.00 C ATOM 23445 O2* G B1091 10.389 43.248 77.520 1.00 0.00 O ATOM 23446 C1* G B1091 8.793 44.630 79.002 1.00 0.00 C ATOM 23447 N9 G B1091 7.708 44.641 80.002 1.00 0.00 N ATOM 23448 C8 G B1091 6.635 45.504 80.127 1.00 0.00 C ATOM 23449 N7 G B1091 5.817 45.189 81.086 1.00 0.00 N ATOM 23450 C5 G B1091 6.399 44.067 81.631 1.00 0.00 C ATOM 23451 C6 G B1091 5.940 43.310 82.689 1.00 0.00 C ATOM 23452 O6 G B1091 4.918 43.431 83.365 1.00 0.00 O ATOM 23453 N1 G B1091 6.810 42.256 82.947 1.00 0.00 N ATOM 23454 C2 G B1091 7.998 42.029 82.316 1.00 0.00 C ATOM 23455 N2 G B1091 8.679 40.995 82.789 1.00 0.00 N ATOM 23456 N3 G B1091 8.450 42.773 81.320 1.00 0.00 N ATOM 23457 C4 G B1091 7.576 43.757 81.022 1.00 0.00 C ATOM 23458 P C B1092 7.180 41.808 75.360 1.00 0.00 P ATOM 23459 O1P C B1092 7.643 41.229 74.074 1.00 0.00 O ATOM 23460 O2P C B1092 5.711 42.098 75.432 1.00 0.00 O ATOM 23461 O5* C B1092 7.569 40.830 76.502 1.00 0.00 O ATOM 23462 C5* C B1092 8.724 40.030 76.289 1.00 0.00 C ATOM 23463 C4* C B1092 8.994 39.226 77.488 1.00 0.00 C ATOM 23464 O4* C B1092 8.780 39.960 78.678 1.00 0.00 O ATOM 23465 C3* C B1092 7.978 38.150 77.594 1.00 0.00 C ATOM 23466 O3* C B1092 8.220 37.167 76.594 1.00 0.00 O ATOM 23467 C2* C B1092 8.531 37.680 78.964 1.00 0.00 C ATOM 23468 O2* C B1092 9.934 37.345 78.884 1.00 0.00 O ATOM 23469 C1* C B1092 8.373 39.010 79.645 1.00 0.00 C ATOM 23470 N1 C B1092 7.075 39.385 80.222 1.00 0.00 N ATOM 23471 C2 C B1092 6.736 38.809 81.422 1.00 0.00 C ATOM 23472 O2 C B1092 7.457 37.953 81.918 1.00 0.00 O ATOM 23473 N3 C B1092 5.582 39.220 82.051 1.00 0.00 N ATOM 23474 C4 C B1092 4.803 40.162 81.486 1.00 0.00 C ATOM 23475 N4 C B1092 3.702 40.575 82.136 1.00 0.00 N ATOM 23476 C5 C B1092 5.143 40.747 80.221 1.00 0.00 C ATOM 23477 C6 C B1092 6.299 40.322 79.640 1.00 0.00 C ATOM 23478 P G B1093 6.935 36.356 76.026 1.00 0.00 P ATOM 23479 O1P G B1093 7.387 35.165 75.277 1.00 0.00 O ATOM 23480 O2P G B1093 6.041 37.277 75.293 1.00 0.00 O ATOM 23481 O5* G B1093 6.174 35.947 77.365 1.00 0.00 O ATOM 23482 C5* G B1093 6.692 34.818 78.122 1.00 0.00 C ATOM 23483 C4* G B1093 5.889 34.559 79.394 1.00 0.00 C ATOM 23484 O4* G B1093 5.773 35.801 80.152 1.00 0.00 O ATOM 23485 C3* G B1093 4.439 34.195 79.186 1.00 0.00 C ATOM 23486 O3* G B1093 4.317 32.823 78.797 1.00 0.00 O ATOM 23487 C2* G B1093 3.775 34.483 80.507 1.00 0.00 C ATOM 23488 O2* G B1093 3.820 33.358 81.377 1.00 0.00 O ATOM 23489 C1* G B1093 4.510 35.788 80.798 1.00 0.00 C ATOM 23490 N9 G B1093 3.673 36.842 80.229 1.00 0.00 N ATOM 23491 C8 G B1093 3.960 37.631 79.161 1.00 0.00 C ATOM 23492 N7 G B1093 3.039 38.529 78.913 1.00 0.00 N ATOM 23493 C5 G B1093 2.080 38.331 79.894 1.00 0.00 C ATOM 23494 C6 G B1093 0.870 39.014 80.122 1.00 0.00 C ATOM 23495 O6 G B1093 0.366 39.939 79.470 1.00 0.00 O ATOM 23496 N1 G B1093 0.215 38.525 81.237 1.00 0.00 N ATOM 23497 C2 G B1093 0.704 37.501 82.027 1.00 0.00 C ATOM 23498 N2 G B1093 -0.069 37.227 83.075 1.00 0.00 N ATOM 23499 N3 G B1093 1.837 36.850 81.777 1.00 0.00 N ATOM 23500 C4 G B1093 2.455 37.303 80.676 1.00 0.00 C ATOM 23501 P U B1094 3.392 32.413 77.596 1.00 0.00 P ATOM 23502 O1P U B1094 3.662 31.004 77.205 1.00 0.00 O ATOM 23503 O2P U B1094 3.467 33.439 76.526 1.00 0.00 O ATOM 23504 O5* U B1094 1.919 32.542 78.252 1.00 0.00 O ATOM 23505 C5* U B1094 1.718 31.628 79.348 1.00 0.00 C ATOM 23506 C4* U B1094 0.387 31.807 79.994 1.00 0.00 C ATOM 23507 O4* U B1094 0.331 33.142 80.636 1.00 0.00 O ATOM 23508 C3* U B1094 -0.801 31.906 79.037 1.00 0.00 C ATOM 23509 O3* U B1094 -1.107 30.666 78.370 1.00 0.00 O ATOM 23510 C2* U B1094 -1.860 32.472 79.926 1.00 0.00 C ATOM 23511 O2* U B1094 -2.538 31.436 80.635 1.00 0.00 O ATOM 23512 C1* U B1094 -1.058 33.505 80.697 1.00 0.00 C ATOM 23513 N1 U B1094 -1.296 34.843 80.089 1.00 0.00 N ATOM 23514 C2 U B1094 -2.507 35.429 80.283 1.00 0.00 C ATOM 23515 O2 U B1094 -3.369 34.948 80.985 1.00 0.00 O ATOM 23516 N3 U B1094 -2.748 36.608 79.611 1.00 0.00 N ATOM 23517 C4 U B1094 -1.836 37.280 78.789 1.00 0.00 C ATOM 23518 O4 U B1094 -2.184 38.313 78.226 1.00 0.00 O ATOM 23519 C5 U B1094 -0.559 36.639 78.713 1.00 0.00 C ATOM 23520 C6 U B1094 -0.326 35.464 79.347 1.00 0.00 C ATOM 23521 P A B1095 -1.130 30.379 76.789 1.00 0.00 P ATOM 23522 O1P A B1095 -0.555 29.052 76.503 1.00 0.00 O ATOM 23523 O2P A B1095 -0.505 31.512 76.053 1.00 0.00 O ATOM 23524 O5* A B1095 -2.698 30.387 76.479 1.00 0.00 O ATOM 23525 C5* A B1095 -3.140 31.529 75.746 1.00 0.00 C ATOM 23526 C4* A B1095 -4.686 31.589 75.650 1.00 0.00 C ATOM 23527 O4* A B1095 -5.238 30.339 76.190 1.00 0.00 O ATOM 23528 C3* A B1095 -5.279 32.622 76.556 1.00 0.00 C ATOM 23529 O3* A B1095 -5.157 33.894 75.930 1.00 0.00 O ATOM 23530 C2* A B1095 -6.664 32.184 76.835 1.00 0.00 C ATOM 23531 O2* A B1095 -7.561 32.679 75.855 1.00 0.00 O ATOM 23532 C1* A B1095 -6.409 30.676 76.986 1.00 0.00 C ATOM 23533 N9 A B1095 -6.220 30.117 78.300 1.00 0.00 N ATOM 23534 C8 A B1095 -5.074 29.629 78.867 1.00 0.00 C ATOM 23535 N7 A B1095 -5.297 29.071 80.042 1.00 0.00 N ATOM 23536 C5 A B1095 -6.642 29.228 80.243 1.00 0.00 C ATOM 23537 C6 A B1095 -7.502 28.827 81.247 1.00 0.00 C ATOM 23538 N6 A B1095 -7.063 28.127 82.312 1.00 0.00 N ATOM 23539 N1 A B1095 -8.805 29.137 81.158 1.00 0.00 N ATOM 23540 C2 A B1095 -9.199 29.855 80.095 1.00 0.00 C ATOM 23541 N3 A B1095 -8.495 30.309 79.084 1.00 0.00 N ATOM 23542 C4 A B1095 -7.212 29.930 79.198 1.00 0.00 C ATOM 23543 P A B1096 -4.250 35.005 76.568 1.00 0.00 P ATOM 23544 O1P A B1096 -4.093 36.127 75.599 1.00 0.00 O ATOM 23545 O2P A B1096 -2.964 34.416 77.052 1.00 0.00 O ATOM 23546 O5* A B1096 -5.204 35.425 77.788 1.00 0.00 O ATOM 23547 C5* A B1096 -6.317 36.306 77.500 1.00 0.00 C ATOM 23548 C4* A B1096 -7.454 36.134 78.487 1.00 0.00 C ATOM 23549 O4* A B1096 -7.864 34.809 78.543 1.00 0.00 O ATOM 23550 C3* A B1096 -7.009 36.502 79.881 1.00 0.00 C ATOM 23551 O3* A B1096 -7.247 37.851 80.073 1.00 0.00 O ATOM 23552 C2* A B1096 -8.065 35.786 80.633 1.00 0.00 C ATOM 23553 O2* A B1096 -9.304 36.495 80.565 1.00 0.00 O ATOM 23554 C1* A B1096 -8.111 34.496 79.892 1.00 0.00 C ATOM 23555 N9 A B1096 -7.004 33.690 80.387 1.00 0.00 N ATOM 23556 C8 A B1096 -5.704 33.574 79.877 1.00 0.00 C ATOM 23557 N7 A B1096 -4.940 32.750 80.540 1.00 0.00 N ATOM 23558 C5 A B1096 -5.773 32.314 81.533 1.00 0.00 C ATOM 23559 C6 A B1096 -5.546 31.495 82.550 1.00 0.00 C ATOM 23560 N6 A B1096 -4.369 30.909 82.704 1.00 0.00 N ATOM 23561 N1 A B1096 -6.570 31.266 83.430 1.00 0.00 N ATOM 23562 C2 A B1096 -7.726 31.879 83.237 1.00 0.00 C ATOM 23563 N3 A B1096 -8.069 32.711 82.283 1.00 0.00 N ATOM 23564 C4 A B1096 -7.034 32.880 81.455 1.00 0.00 C ATOM 23565 P U B1097 -6.208 38.658 80.912 1.00 0.00 P ATOM 23566 O1P U B1097 -6.455 40.074 80.741 1.00 0.00 O ATOM 23567 O2P U B1097 -4.806 38.177 80.604 1.00 0.00 O ATOM 23568 O5* U B1097 -6.599 38.279 82.374 1.00 0.00 O ATOM 23569 C5* U B1097 -5.534 37.929 83.274 1.00 0.00 C ATOM 23570 C4* U B1097 -6.039 36.925 84.254 1.00 0.00 C ATOM 23571 O4* U B1097 -6.079 35.653 83.709 1.00 0.00 O ATOM 23572 C3* U B1097 -5.128 36.788 85.443 1.00 0.00 C ATOM 23573 O3* U B1097 -5.205 37.979 86.240 1.00 0.00 O ATOM 23574 C2* U B1097 -6.137 35.709 86.002 1.00 0.00 C ATOM 23575 O2* U B1097 -7.440 36.245 86.259 1.00 0.00 O ATOM 23576 C1* U B1097 -6.194 34.796 84.811 1.00 0.00 C ATOM 23577 N1 U B1097 -5.047 33.884 84.874 1.00 0.00 N ATOM 23578 C2 U B1097 -5.072 32.980 85.848 1.00 0.00 C ATOM 23579 O2 U B1097 -6.020 32.869 86.589 1.00 0.00 O ATOM 23580 N3 U B1097 -4.005 32.179 85.948 1.00 0.00 N ATOM 23581 C4 U B1097 -2.916 32.214 85.167 1.00 0.00 C ATOM 23582 O4 U B1097 -2.001 31.490 85.407 1.00 0.00 O ATOM 23583 C5 U B1097 -2.946 33.162 84.106 1.00 0.00 C ATOM 23584 C6 U B1097 -4.002 33.981 84.006 1.00 0.00 C ATOM 23585 P A B1098 -3.849 38.654 86.763 1.00 0.00 P ATOM 23586 O1P A B1098 -4.151 39.686 87.785 1.00 0.00 O ATOM 23587 O2P A B1098 -3.048 39.125 85.612 1.00 0.00 O ATOM 23588 O5* A B1098 -3.109 37.416 87.451 1.00 0.00 O ATOM 23589 C5* A B1098 -3.725 36.901 88.649 1.00 0.00 C ATOM 23590 C4* A B1098 -2.974 35.648 89.003 1.00 0.00 C ATOM 23591 O4* A B1098 -2.934 34.847 87.781 1.00 0.00 O ATOM 23592 C3* A B1098 -1.553 35.903 89.415 1.00 0.00 C ATOM 23593 O3* A B1098 -1.478 36.390 90.739 1.00 0.00 O ATOM 23594 C2* A B1098 -0.879 34.631 88.994 1.00 0.00 C ATOM 23595 O2* A B1098 -0.871 33.658 90.034 1.00 0.00 O ATOM 23596 C1* A B1098 -1.639 34.249 87.734 1.00 0.00 C ATOM 23597 N9 A B1098 -0.949 34.607 86.507 1.00 0.00 N ATOM 23598 C8 A B1098 -1.316 35.491 85.550 1.00 0.00 C ATOM 23599 N7 A B1098 -0.525 35.518 84.539 1.00 0.00 N ATOM 23600 C5 A B1098 0.454 34.581 84.844 1.00 0.00 C ATOM 23601 C6 A B1098 1.613 34.087 84.149 1.00 0.00 C ATOM 23602 N6 A B1098 1.923 34.495 82.893 1.00 0.00 N ATOM 23603 N1 A B1098 2.378 33.178 84.761 1.00 0.00 N ATOM 23604 C2 A B1098 2.026 32.791 86.012 1.00 0.00 C ATOM 23605 N3 A B1098 0.979 33.174 86.758 1.00 0.00 N ATOM 23606 C4 A B1098 0.231 34.046 86.093 1.00 0.00 C ATOM 23607 P G B1099 -0.119 37.039 91.254 1.00 0.00 P ATOM 23608 O1P G B1099 0.075 36.771 92.693 1.00 0.00 O ATOM 23609 O2P G B1099 -0.005 38.431 90.786 1.00 0.00 O ATOM 23610 O5* G B1099 0.980 36.202 90.451 1.00 0.00 O ATOM 23611 C5* G B1099 1.875 35.388 91.199 1.00 0.00 C ATOM 23612 C4* G B1099 3.126 34.982 90.414 1.00 0.00 C ATOM 23613 O4* G B1099 2.735 34.670 89.026 1.00 0.00 O ATOM 23614 C3* G B1099 4.219 36.043 90.303 1.00 0.00 C ATOM 23615 O3* G B1099 4.841 36.209 91.548 1.00 0.00 O ATOM 23616 C2* G B1099 4.949 35.620 89.046 1.00 0.00 C ATOM 23617 O2* G B1099 5.943 34.656 89.347 1.00 0.00 O ATOM 23618 C1* G B1099 3.803 35.071 88.169 1.00 0.00 C ATOM 23619 N9 G B1099 3.233 36.024 87.213 1.00 0.00 N ATOM 23620 C8 G B1099 2.056 36.719 87.320 1.00 0.00 C ATOM 23621 N7 G B1099 1.871 37.563 86.370 1.00 0.00 N ATOM 23622 C5 G B1099 2.976 37.425 85.570 1.00 0.00 C ATOM 23623 C6 G B1099 3.293 38.116 84.382 1.00 0.00 C ATOM 23624 O6 G B1099 2.639 38.951 83.770 1.00 0.00 O ATOM 23625 N1 G B1099 4.575 37.725 83.889 1.00 0.00 N ATOM 23626 C2 G B1099 5.370 36.776 84.516 1.00 0.00 C ATOM 23627 N2 G B1099 6.552 36.557 83.945 1.00 0.00 N ATOM 23628 N3 G B1099 5.014 36.087 85.604 1.00 0.00 N ATOM 23629 C4 G B1099 3.810 36.485 86.054 1.00 0.00 C ATOM 23630 P C B1100 5.630 37.555 91.878 1.00 0.00 P ATOM 23631 O1P C B1100 6.505 37.346 93.060 1.00 0.00 O ATOM 23632 O2P C B1100 4.694 38.703 91.941 1.00 0.00 O ATOM 23633 O5* C B1100 6.486 37.742 90.563 1.00 0.00 O ATOM 23634 C5* C B1100 7.619 36.900 90.490 1.00 0.00 C ATOM 23635 C4* C B1100 8.303 37.060 89.160 1.00 0.00 C ATOM 23636 O4* C B1100 7.408 37.217 88.028 1.00 0.00 O ATOM 23637 C3* C B1100 8.822 38.387 88.959 1.00 0.00 C ATOM 23638 O3* C B1100 9.871 38.468 89.794 1.00 0.00 O ATOM 23639 C2* C B1100 9.304 38.586 87.590 1.00 0.00 C ATOM 23640 O2* C B1100 10.656 38.179 87.490 1.00 0.00 O ATOM 23641 C1* C B1100 7.996 38.083 87.036 1.00 0.00 C ATOM 23642 N1 C B1100 6.947 39.050 86.717 1.00 0.00 N ATOM 23643 C2 C B1100 7.073 39.682 85.506 1.00 0.00 C ATOM 23644 O2 C B1100 8.075 39.480 84.806 1.00 0.00 O ATOM 23645 N3 C B1100 6.081 40.513 85.099 1.00 0.00 N ATOM 23646 C4 C B1100 5.029 40.737 85.872 1.00 0.00 C ATOM 23647 N4 C B1100 4.085 41.536 85.425 1.00 0.00 N ATOM 23648 C5 C B1100 4.901 40.136 87.174 1.00 0.00 C ATOM 23649 C6 C B1100 5.884 39.305 87.558 1.00 0.00 C ATOM 23650 P U B1101 10.021 39.888 90.295 1.00 0.00 P ATOM 23651 O1P U B1101 10.566 39.900 91.672 1.00 0.00 O ATOM 23652 O2P U B1101 8.669 40.502 90.427 1.00 0.00 O ATOM 23653 O5* U B1101 11.108 40.346 89.230 1.00 0.00 O ATOM 23654 C5* U B1101 11.473 41.703 89.165 1.00 0.00 C ATOM 23655 C4* U B1101 11.804 42.058 87.764 1.00 0.00 C ATOM 23656 O4* U B1101 10.698 41.625 86.883 1.00 0.00 O ATOM 23657 C3* U B1101 11.844 43.507 87.514 1.00 0.00 C ATOM 23658 O3* U B1101 12.955 44.011 88.118 1.00 0.00 O ATOM 23659 C2* U B1101 11.672 43.624 86.070 1.00 0.00 C ATOM 23660 O2* U B1101 12.931 43.461 85.422 1.00 0.00 O ATOM 23661 C1* U B1101 10.500 42.669 85.928 1.00 0.00 C ATOM 23662 N1 U B1101 9.176 43.312 86.173 1.00 0.00 N ATOM 23663 C2 U B1101 8.707 44.130 85.167 1.00 0.00 C ATOM 23664 O2 U B1101 9.349 44.393 84.173 1.00 0.00 O ATOM 23665 N3 U B1101 7.452 44.646 85.330 1.00 0.00 N ATOM 23666 C4 U B1101 6.632 44.431 86.439 1.00 0.00 C ATOM 23667 O4 U B1101 5.495 44.896 86.497 1.00 0.00 O ATOM 23668 C5 U B1101 7.262 43.610 87.466 1.00 0.00 C ATOM 23669 C6 U B1101 8.478 43.082 87.317 1.00 0.00 C ATOM 23670 P C B1102 12.834 45.374 88.817 1.00 0.00 P ATOM 23671 O1P C B1102 14.200 45.670 89.308 1.00 0.00 O ATOM 23672 O2P C B1102 11.740 45.372 89.836 1.00 0.00 O ATOM 23673 O5* C B1102 12.409 46.366 87.660 1.00 0.00 O ATOM 23674 C5* C B1102 13.336 46.665 86.587 1.00 0.00 C ATOM 23675 C4* C B1102 12.670 47.606 85.577 1.00 0.00 C ATOM 23676 O4* C B1102 11.426 47.055 85.104 1.00 0.00 O ATOM 23677 C3* C B1102 12.270 48.938 86.257 1.00 0.00 C ATOM 23678 O3* C B1102 13.398 49.791 86.314 1.00 0.00 O ATOM 23679 C2* C B1102 11.402 49.409 85.123 1.00 0.00 C ATOM 23680 O2* C B1102 12.210 49.686 83.970 1.00 0.00 O ATOM 23681 C1* C B1102 10.526 48.151 84.924 1.00 0.00 C ATOM 23682 N1 C B1102 9.342 47.998 85.879 1.00 0.00 N ATOM 23683 C2 C B1102 8.249 48.855 85.723 1.00 0.00 C ATOM 23684 O2 C B1102 8.206 49.635 84.811 1.00 0.00 O ATOM 23685 N3 C B1102 7.233 48.779 86.582 1.00 0.00 N ATOM 23686 C4 C B1102 7.252 47.915 87.568 1.00 0.00 C ATOM 23687 N4 C B1102 6.220 47.903 88.436 1.00 0.00 N ATOM 23688 C5 C B1102 8.363 47.014 87.760 1.00 0.00 C ATOM 23689 C6 C B1102 9.377 47.095 86.875 1.00 0.00 C ATOM 23690 P A B1103 13.421 50.764 87.485 1.00 0.00 P ATOM 23691 O1P A B1103 14.774 51.322 87.654 1.00 0.00 O ATOM 23692 O2P A B1103 12.148 50.803 88.231 1.00 0.00 O ATOM 23693 O5* A B1103 12.356 51.809 86.970 1.00 0.00 O ATOM 23694 C5* A B1103 12.690 52.739 85.936 1.00 0.00 C ATOM 23695 C4* A B1103 11.465 53.551 85.639 1.00 0.00 C ATOM 23696 O4* A B1103 10.319 52.643 85.522 1.00 0.00 O ATOM 23697 C3* A B1103 10.999 54.399 86.765 1.00 0.00 C ATOM 23698 O3* A B1103 11.153 55.748 86.521 1.00 0.00 O ATOM 23699 C2* A B1103 9.542 54.571 86.742 1.00 0.00 C ATOM 23700 O2* A B1103 9.138 55.754 86.057 1.00 0.00 O ATOM 23701 C1* A B1103 9.195 53.223 86.145 1.00 0.00 C ATOM 23702 N9 A B1103 8.798 52.414 87.325 1.00 0.00 N ATOM 23703 C8 A B1103 9.446 51.391 87.914 1.00 0.00 C ATOM 23704 N7 A B1103 8.833 50.900 88.949 1.00 0.00 N ATOM 23705 C5 A B1103 7.674 51.669 89.055 1.00 0.00 C ATOM 23706 C6 A B1103 6.571 51.655 89.933 1.00 0.00 C ATOM 23707 N6 A B1103 6.500 50.791 90.957 1.00 0.00 N ATOM 23708 N1 A B1103 5.612 52.553 89.692 1.00 0.00 N ATOM 23709 C2 A B1103 5.751 53.407 88.645 1.00 0.00 C ATOM 23710 N3 A B1103 6.710 53.499 87.797 1.00 0.00 N ATOM 23711 C4 A B1103 7.655 52.597 88.049 1.00 0.00 C ATOM 23712 P C B1104 11.924 56.548 87.585 1.00 0.00 P ATOM 23713 O1P C B1104 11.969 57.985 87.234 1.00 0.00 O ATOM 23714 O2P C B1104 13.176 55.845 87.956 1.00 0.00 O ATOM 23715 O5* C B1104 10.986 56.448 88.807 1.00 0.00 O ATOM 23716 C5* C B1104 10.784 57.781 89.291 1.00 0.00 C ATOM 23717 C4* C B1104 9.646 57.753 90.273 1.00 0.00 C ATOM 23718 O4* C B1104 9.002 56.447 90.109 1.00 0.00 O ATOM 23719 C3* C B1104 10.120 57.719 91.664 1.00 0.00 C ATOM 23720 O3* C B1104 10.675 58.886 92.079 1.00 0.00 O ATOM 23721 C2* C B1104 9.029 56.968 92.346 1.00 0.00 C ATOM 23722 O2* C B1104 7.926 57.813 92.626 1.00 0.00 O ATOM 23723 C1* C B1104 8.815 55.808 91.384 1.00 0.00 C ATOM 23724 N1 C B1104 9.389 54.438 91.308 1.00 0.00 N ATOM 23725 C2 C B1104 8.869 53.452 92.133 1.00 0.00 C ATOM 23726 O2 C B1104 7.966 53.729 92.929 1.00 0.00 O ATOM 23727 N3 C B1104 9.380 52.221 92.035 1.00 0.00 N ATOM 23728 C4 C B1104 10.365 51.954 91.190 1.00 0.00 C ATOM 23729 N4 C B1104 10.842 50.726 91.149 1.00 0.00 N ATOM 23730 C5 C B1104 10.902 52.970 90.341 1.00 0.00 C ATOM 23731 C6 C B1104 10.374 54.193 90.422 1.00 0.00 C ATOM 23732 P U B1105 11.932 58.479 92.904 1.00 0.00 P ATOM 23733 O1P U B1105 12.725 59.685 93.229 1.00 0.00 O ATOM 23734 O2P U B1105 12.723 57.448 92.190 1.00 0.00 O ATOM 23735 O5* U B1105 11.274 57.767 94.140 1.00 0.00 O ATOM 23736 C5* U B1105 10.499 58.605 95.005 1.00 0.00 C ATOM 23737 C4* U B1105 10.252 57.917 96.318 1.00 0.00 C ATOM 23738 O4* U B1105 9.567 56.649 96.061 1.00 0.00 O ATOM 23739 C3* U B1105 11.464 57.475 97.080 1.00 0.00 C ATOM 23740 O3* U B1105 11.826 58.440 98.031 1.00 0.00 O ATOM 23741 C2* U B1105 11.098 56.299 97.916 1.00 0.00 C ATOM 23742 O2* U B1105 10.791 56.702 99.242 1.00 0.00 O ATOM 23743 C1* U B1105 10.079 55.670 96.958 1.00 0.00 C ATOM 23744 N1 U B1105 10.885 54.701 96.219 1.00 0.00 N ATOM 23745 C2 U B1105 11.210 53.536 96.861 1.00 0.00 C ATOM 23746 O2 U B1105 10.881 53.332 98.021 1.00 0.00 O ATOM 23747 N3 U B1105 11.922 52.612 96.128 1.00 0.00 N ATOM 23748 C4 U B1105 12.349 52.771 94.822 1.00 0.00 C ATOM 23749 O4 U B1105 13.012 51.892 94.269 1.00 0.00 O ATOM 23750 C5 U B1105 11.959 54.026 94.247 1.00 0.00 C ATOM 23751 C6 U B1105 11.253 54.935 94.939 1.00 0.00 C ATOM 23752 P G B1106 13.332 58.543 98.457 1.00 0.00 P ATOM 23753 O1P G B1106 13.552 59.859 99.085 1.00 0.00 O ATOM 23754 O2P G B1106 14.196 58.337 97.275 1.00 0.00 O ATOM 23755 O5* G B1106 13.484 57.352 99.477 1.00 0.00 O ATOM 23756 C5* G B1106 12.717 57.487 100.676 1.00 0.00 C ATOM 23757 C4* G B1106 12.751 56.259 101.586 1.00 0.00 C ATOM 23758 O4* G B1106 12.278 55.079 100.827 1.00 0.00 O ATOM 23759 C3* G B1106 14.137 55.769 102.060 1.00 0.00 C ATOM 23760 O3* G B1106 14.743 56.673 102.989 1.00 0.00 O ATOM 23761 C2* G B1106 13.847 54.342 102.499 1.00 0.00 C ATOM 23762 O2* G B1106 13.413 54.322 103.851 1.00 0.00 O ATOM 23763 C1* G B1106 12.958 53.904 101.328 1.00 0.00 C ATOM 23764 N9 G B1106 13.620 53.261 100.192 1.00 0.00 N ATOM 23765 C8 G B1106 13.909 53.787 98.940 1.00 0.00 C ATOM 23766 N7 G B1106 14.555 52.969 98.176 1.00 0.00 N ATOM 23767 C5 G B1106 14.712 51.823 98.930 1.00 0.00 C ATOM 23768 C6 G B1106 15.340 50.602 98.591 1.00 0.00 C ATOM 23769 O6 G B1106 15.939 50.274 97.564 1.00 0.00 O ATOM 23770 N1 G B1106 15.262 49.672 99.636 1.00 0.00 N ATOM 23771 C2 G B1106 14.639 49.923 100.855 1.00 0.00 C ATOM 23772 N2 G B1106 14.670 48.905 101.721 1.00 0.00 N ATOM 23773 N3 G B1106 14.035 51.053 101.162 1.00 0.00 N ATOM 23774 C4 G B1106 14.131 51.968 100.143 1.00 0.00 C ATOM 23775 P G B1107 16.304 56.852 102.979 1.00 0.00 P ATOM 23776 O1P G B1107 16.726 57.729 104.086 1.00 0.00 O ATOM 23777 O2P G B1107 16.754 57.248 101.630 1.00 0.00 O ATOM 23778 O5* G B1107 16.838 55.382 103.276 1.00 0.00 O ATOM 23779 C5* G B1107 16.587 54.814 104.568 1.00 0.00 C ATOM 23780 C4* G B1107 17.176 53.403 104.616 1.00 0.00 C ATOM 23781 O4* G B1107 16.566 52.616 103.556 1.00 0.00 O ATOM 23782 C3* G B1107 18.636 53.260 104.407 1.00 0.00 C ATOM 23783 O3* G B1107 19.295 53.411 105.641 1.00 0.00 O ATOM 23784 C2* G B1107 18.842 51.855 103.873 1.00 0.00 C ATOM 23785 O2* G B1107 19.199 50.951 104.914 1.00 0.00 O ATOM 23786 C1* G B1107 17.525 51.639 103.149 1.00 0.00 C ATOM 23787 N9 G B1107 17.834 51.805 101.716 1.00 0.00 N ATOM 23788 C8 G B1107 17.566 52.890 100.934 1.00 0.00 C ATOM 23789 N7 G B1107 17.911 52.722 99.708 1.00 0.00 N ATOM 23790 C5 G B1107 18.477 51.450 99.652 1.00 0.00 C ATOM 23791 C6 G B1107 19.036 50.738 98.547 1.00 0.00 C ATOM 23792 O6 G B1107 19.194 51.127 97.380 1.00 0.00 O ATOM 23793 N1 G B1107 19.430 49.452 98.951 1.00 0.00 N ATOM 23794 C2 G B1107 19.280 48.971 100.227 1.00 0.00 C ATOM 23795 N2 G B1107 19.681 47.723 100.405 1.00 0.00 N ATOM 23796 N3 G B1107 18.792 49.651 101.261 1.00 0.00 N ATOM 23797 C4 G B1107 18.434 50.887 100.884 1.00 0.00 C ATOM 23798 P U B1108 20.598 54.241 105.486 1.00 0.00 P ATOM 23799 O1P U B1108 21.022 54.773 106.795 1.00 0.00 O ATOM 23800 O2P U B1108 20.814 54.731 104.107 1.00 0.00 O ATOM 23801 O5* U B1108 21.620 53.168 104.940 1.00 0.00 O ATOM 23802 C5* U B1108 21.989 52.139 105.835 1.00 0.00 C ATOM 23803 C4* U B1108 22.643 51.079 105.014 1.00 0.00 C ATOM 23804 O4* U B1108 21.656 50.748 103.951 1.00 0.00 O ATOM 23805 C3* U B1108 23.915 51.517 104.338 1.00 0.00 C ATOM 23806 O3* U B1108 24.944 51.837 105.264 1.00 0.00 O ATOM 23807 C2* U B1108 23.869 50.515 103.189 1.00 0.00 C ATOM 23808 O2* U B1108 24.423 49.277 103.574 1.00 0.00 O ATOM 23809 C1* U B1108 22.385 50.474 102.767 1.00 0.00 C ATOM 23810 N1 U B1108 22.025 51.372 101.678 1.00 0.00 N ATOM 23811 C2 U B1108 21.939 50.872 100.409 1.00 0.00 C ATOM 23812 O2 U B1108 22.133 49.693 100.212 1.00 0.00 O ATOM 23813 N3 U B1108 21.604 51.750 99.381 1.00 0.00 N ATOM 23814 C4 U B1108 21.377 53.083 99.522 1.00 0.00 C ATOM 23815 O4 U B1108 21.080 53.771 98.561 1.00 0.00 O ATOM 23816 C5 U B1108 21.513 53.553 100.899 1.00 0.00 C ATOM 23817 C6 U B1108 21.813 52.722 101.915 1.00 0.00 C ATOM 23818 P C B1109 25.645 53.417 104.481 1.00 0.00 P ATOM 23819 O1P C B1109 25.224 54.620 105.238 1.00 0.00 O ATOM 23820 O2P C B1109 25.321 53.418 103.041 1.00 0.00 O ATOM 23821 O5* C B1109 27.502 53.228 104.416 1.00 0.00 O ATOM 23822 C5* C B1109 28.498 54.036 103.648 1.00 0.00 C ATOM 23823 C4* C B1109 28.326 54.271 102.026 1.00 0.00 C ATOM 23824 O4* C B1109 27.213 53.741 101.251 1.00 0.00 O ATOM 23825 C3* C B1109 29.152 55.046 101.002 1.00 0.00 C ATOM 23826 O3* C B1109 29.713 56.470 100.923 1.00 0.00 O ATOM 23827 C2* C B1109 29.002 54.179 99.752 1.00 0.00 C ATOM 23828 O2* C B1109 29.820 53.024 99.835 1.00 0.00 O ATOM 23829 C1* C B1109 27.554 53.713 99.878 1.00 0.00 C ATOM 23830 N1 C B1109 26.413 54.673 99.017 1.00 0.00 N ATOM 23831 C2 C B1109 26.220 54.397 97.668 1.00 0.00 C ATOM 23832 O2 C B1109 26.885 53.492 97.149 1.00 0.00 O ATOM 23833 N3 C B1109 25.316 55.136 96.974 1.00 0.00 N ATOM 23834 C4 C B1109 24.621 56.106 97.576 1.00 0.00 C ATOM 23835 N4 C B1109 23.748 56.794 96.854 1.00 0.00 N ATOM 23836 C5 C B1109 24.799 56.407 98.965 1.00 0.00 C ATOM 23837 C6 C B1109 25.712 55.660 99.642 1.00 0.00 C ATOM 23838 P G B1110 31.490 56.594 100.468 1.00 0.00 P ATOM 23839 O1P G B1110 32.016 55.823 99.319 1.00 0.00 O ATOM 23840 O2P G B1110 32.205 56.414 101.752 1.00 0.00 O ATOM 23841 O5* G B1110 31.274 58.285 99.794 1.00 0.00 O ATOM 23842 C5* G B1110 30.475 58.594 98.607 1.00 0.00 C ATOM 23843 C4* G B1110 31.201 59.132 97.240 1.00 0.00 C ATOM 23844 O4* G B1110 32.481 59.822 97.368 1.00 0.00 O ATOM 23845 C3* G B1110 31.320 58.384 95.915 1.00 0.00 C ATOM 23846 O3* G B1110 31.012 56.938 95.498 1.00 0.00 O ATOM 23847 C2* G B1110 32.133 59.360 95.063 1.00 0.00 C ATOM 23848 O2* G B1110 31.318 60.428 94.615 1.00 0.00 O ATOM 23849 C1* G B1110 33.097 59.935 96.094 1.00 0.00 C ATOM 23850 N9 G B1110 34.631 59.149 96.161 1.00 0.00 N ATOM 23851 C8 G B1110 35.513 58.876 95.140 1.00 0.00 C ATOM 23852 N7 G B1110 36.564 58.184 95.513 1.00 0.00 N ATOM 23853 C5 G B1110 36.363 57.986 96.882 1.00 0.00 C ATOM 23854 C6 G B1110 37.163 57.308 97.833 1.00 0.00 C ATOM 23855 O6 G B1110 38.232 56.731 97.666 1.00 0.00 O ATOM 23856 N1 G B1110 36.582 57.351 99.108 1.00 0.00 N ATOM 23857 C2 G B1110 35.388 57.963 99.423 1.00 0.00 C ATOM 23858 N2 G B1110 35.008 57.889 100.701 1.00 0.00 N ATOM 23859 N3 G B1110 34.638 58.604 98.525 1.00 0.00 N ATOM 23860 C4 G B1110 35.186 58.573 97.286 1.00 0.00 C ATOM 23861 P A B1111 29.405 56.267 96.027 1.00 0.00 P ATOM 23862 O1P A B1111 29.672 55.432 97.220 1.00 0.00 O ATOM 23863 O2P A B1111 28.513 55.668 95.009 1.00 0.00 O ATOM 23864 O5* A B1111 28.770 57.975 96.037 1.00 0.00 O ATOM 23865 C5* A B1111 28.654 58.528 94.661 1.00 0.00 C ATOM 23866 C4* A B1111 27.877 57.595 93.537 1.00 0.00 C ATOM 23867 O4* A B1111 26.446 57.475 93.789 1.00 0.00 O ATOM 23868 C3* A B1111 27.974 57.714 92.017 1.00 0.00 C ATOM 23869 O3* A B1111 29.259 57.212 91.305 1.00 0.00 O ATOM 23870 C2* A B1111 26.858 56.785 91.551 1.00 0.00 C ATOM 23871 O2* A B1111 27.242 55.430 91.673 1.00 0.00 O ATOM 23872 C1* A B1111 25.787 57.039 92.614 1.00 0.00 C ATOM 23873 N9 A B1111 24.643 58.189 92.193 1.00 0.00 N ATOM 23874 C8 A B1111 24.434 59.431 92.751 1.00 0.00 C ATOM 23875 N7 A B1111 23.357 60.020 92.333 1.00 0.00 N ATOM 23876 C5 A B1111 22.802 59.115 91.441 1.00 0.00 C ATOM 23877 C6 A B1111 21.641 59.151 90.650 1.00 0.00 C ATOM 23878 N6 A B1111 20.786 60.188 90.641 1.00 0.00 N ATOM 23879 N1 A B1111 21.385 58.084 89.872 1.00 0.00 N ATOM 23880 C2 A B1111 22.238 57.062 89.884 1.00 0.00 C ATOM 23881 N3 A B1111 23.349 56.917 90.576 1.00 0.00 N ATOM 23882 C4 A B1111 23.582 58.000 91.346 1.00 0.00 C ATOM 23883 P G B1112 30.306 58.423 90.471 1.00 0.00 P ATOM 23884 O1P G B1112 30.136 59.744 91.118 1.00 0.00 O ATOM 23885 O2P G B1112 30.394 58.438 88.994 1.00 0.00 O ATOM 23886 O5* G B1112 31.587 57.682 91.080 1.00 0.00 O ATOM 23887 C5* G B1112 32.559 58.452 91.808 1.00 0.00 C ATOM 23888 C4* G B1112 33.611 57.536 92.397 1.00 0.00 C ATOM 23889 O4* G B1112 32.998 56.717 93.436 1.00 0.00 O ATOM 23890 C3* G B1112 34.222 56.517 91.435 1.00 0.00 C ATOM 23891 O3* G B1112 35.265 57.070 90.696 1.00 0.00 O ATOM 23892 C2* G B1112 34.691 55.420 92.387 1.00 0.00 C ATOM 23893 O2* G B1112 35.884 55.806 93.049 1.00 0.00 O ATOM 23894 C1* G B1112 33.582 55.425 93.434 1.00 0.00 C ATOM 23895 N9 G B1112 32.503 54.433 93.167 1.00 0.00 N ATOM 23896 C8 G B1112 31.221 54.645 92.707 1.00 0.00 C ATOM 23897 N7 G B1112 30.513 53.549 92.575 1.00 0.00 N ATOM 23898 C5 G B1112 31.388 52.541 92.978 1.00 0.00 C ATOM 23899 C6 G B1112 31.191 51.137 93.054 1.00 0.00 C ATOM 23900 O6 G B1112 30.188 50.485 92.778 1.00 0.00 O ATOM 23901 N1 G B1112 32.341 50.483 93.517 1.00 0.00 N ATOM 23902 C2 G B1112 33.529 51.104 93.859 1.00 0.00 C ATOM 23903 N2 G B1112 34.509 50.303 94.278 1.00 0.00 N ATOM 23904 N3 G B1112 33.712 52.419 93.786 1.00 0.00 N ATOM 23905 C4 G B1112 32.604 53.071 93.340 1.00 0.00 C ATOM 23906 P U B1113 35.495 56.563 89.162 1.00 0.00 P ATOM 23907 O1P U B1113 36.382 57.501 88.439 1.00 0.00 O ATOM 23908 O2P U B1113 34.186 56.298 88.528 1.00 0.00 O ATOM 23909 O5* U B1113 36.263 55.181 89.415 1.00 0.00 O ATOM 23910 C5* U B1113 37.527 55.201 90.106 1.00 0.00 C ATOM 23911 C4* U B1113 38.011 53.785 90.346 1.00 0.00 C ATOM 23912 O4* U B1113 37.122 53.139 91.304 1.00 0.00 O ATOM 23913 C3* U B1113 37.978 52.857 89.130 1.00 0.00 C ATOM 23914 O3* U B1113 39.120 53.002 88.345 1.00 0.00 O ATOM 23915 C2* U B1113 37.882 51.478 89.785 1.00 0.00 C ATOM 23916 O2* U B1113 39.140 51.082 90.307 1.00 0.00 O ATOM 23917 C1* U B1113 36.978 51.766 90.979 1.00 0.00 C ATOM 23918 N1 U B1113 35.537 51.504 90.713 1.00 0.00 N ATOM 23919 C2 U B1113 35.137 50.190 90.656 1.00 0.00 C ATOM 23920 O2 U B1113 35.909 49.257 90.815 1.00 0.00 O ATOM 23921 N3 U B1113 33.795 49.986 90.409 1.00 0.00 N ATOM 23922 C4 U B1113 32.840 50.963 90.216 1.00 0.00 C ATOM 23923 O4 U B1113 31.667 50.657 90.002 1.00 0.00 O ATOM 23924 C5 U B1113 33.354 52.311 90.291 1.00 0.00 C ATOM 23925 C6 U B1113 34.656 52.538 90.533 1.00 0.00 C ATOM 23926 P C B1114 38.989 52.820 86.729 1.00 0.00 P ATOM 23927 O1P C B1114 40.188 53.364 86.054 1.00 0.00 O ATOM 23928 O2P C B1114 37.691 53.370 86.276 1.00 0.00 O ATOM 23929 O5* C B1114 38.975 51.224 86.605 1.00 0.00 O ATOM 23930 C5* C B1114 40.111 50.478 87.077 1.00 0.00 C ATOM 23931 C4* C B1114 39.830 48.992 86.980 1.00 0.00 C ATOM 23932 O4* C B1114 38.789 48.643 87.935 1.00 0.00 O ATOM 23933 C3* C B1114 39.281 48.507 85.638 1.00 0.00 C ATOM 23934 O3* C B1114 40.300 48.268 84.721 1.00 0.00 O ATOM 23935 C2* C B1114 38.541 47.231 86.040 1.00 0.00 C ATOM 23936 O2* C B1114 39.454 46.172 86.275 1.00 0.00 O ATOM 23937 C1* C B1114 37.962 47.624 87.395 1.00 0.00 C ATOM 23938 N1 C B1114 36.570 48.154 87.321 1.00 0.00 N ATOM 23939 C2 C B1114 35.542 47.241 87.093 1.00 0.00 C ATOM 23940 O2 C B1114 35.824 46.045 86.964 1.00 0.00 O ATOM 23941 N3 C B1114 34.266 47.705 87.022 1.00 0.00 N ATOM 23942 C4 C B1114 34.005 49.010 87.166 1.00 0.00 C ATOM 23943 N4 C B1114 32.743 49.405 87.090 1.00 0.00 N ATOM 23944 C5 C B1114 35.047 49.960 87.403 1.00 0.00 C ATOM 23945 C6 C B1114 36.315 49.480 87.471 1.00 0.00 C ATOM 23946 P G B1115 39.410 48.009 83.089 1.00 0.00 P ATOM 23947 O1P G B1115 40.365 47.792 81.980 1.00 0.00 O ATOM 23948 O2P G B1115 38.459 49.128 82.911 1.00 0.00 O ATOM 23949 O5* G B1115 38.432 46.471 83.454 1.00 0.00 O ATOM 23950 C5* G B1115 37.073 45.892 83.291 1.00 0.00 C ATOM 23951 C4* G B1115 36.816 44.270 83.383 1.00 0.00 C ATOM 23952 O4* G B1115 36.986 43.522 84.620 1.00 0.00 O ATOM 23953 C3* G B1115 35.941 43.363 82.521 1.00 0.00 C ATOM 23954 O3* G B1115 34.328 43.337 82.477 1.00 0.00 O ATOM 23955 C2* G B1115 36.440 41.973 82.904 1.00 0.00 C ATOM 23956 O2* G B1115 37.685 41.699 82.275 1.00 0.00 O ATOM 23957 C1* G B1115 36.726 42.146 84.392 1.00 0.00 C ATOM 23958 N9 G B1115 35.453 41.664 85.421 1.00 0.00 N ATOM 23959 C8 G B1115 34.708 42.426 86.300 1.00 0.00 C ATOM 23960 N7 G B1115 33.722 41.770 86.863 1.00 0.00 N ATOM 23961 C5 G B1115 33.815 40.491 86.321 1.00 0.00 C ATOM 23962 C6 G B1115 33.020 39.343 86.549 1.00 0.00 C ATOM 23963 O6 G B1115 32.050 39.209 87.291 1.00 0.00 O ATOM 23964 N1 G B1115 33.469 38.249 85.789 1.00 0.00 N ATOM 23965 C2 G B1115 34.543 38.266 84.919 1.00 0.00 C ATOM 23966 N2 G B1115 34.808 37.123 84.287 1.00 0.00 N ATOM 23967 N3 G B1115 35.289 39.351 84.709 1.00 0.00 N ATOM 23968 C4 G B1115 34.871 40.415 85.438 1.00 0.00 C ATOM 23969 P G B1116 33.334 44.427 81.416 1.00 0.00 P ATOM 23970 O1P G B1116 34.212 45.336 80.646 1.00 0.00 O ATOM 23971 O2P G B1116 32.241 45.077 82.165 1.00 0.00 O ATOM 23972 O5* G B1116 32.697 43.077 80.347 1.00 0.00 O ATOM 23973 C5* G B1116 32.825 42.555 78.983 1.00 0.00 C ATOM 23974 C4* G B1116 31.423 42.438 78.133 1.00 0.00 C ATOM 23975 O4* G B1116 30.386 42.635 79.134 1.00 0.00 O ATOM 23976 C3* G B1116 31.142 43.523 77.091 1.00 0.00 C ATOM 23977 O3* G B1116 32.221 44.215 76.069 1.00 0.00 O ATOM 23978 C2* G B1116 29.618 43.585 77.094 1.00 0.00 C ATOM 23979 O2* G B1116 29.072 42.484 76.385 1.00 0.00 O ATOM 23980 C1* G B1116 29.304 43.363 78.568 1.00 0.00 C ATOM 23981 N9 G B1116 29.086 44.802 79.480 1.00 0.00 N ATOM 23982 C8 G B1116 29.977 45.453 80.302 1.00 0.00 C ATOM 23983 N7 G B1116 29.464 46.471 80.952 1.00 0.00 N ATOM 23984 C5 G B1116 28.133 46.493 80.527 1.00 0.00 C ATOM 23985 C6 G B1116 27.075 47.366 80.883 1.00 0.00 C ATOM 23986 O6 G B1116 27.093 48.324 81.661 1.00 0.00 O ATOM 23987 N1 G B1116 25.889 47.033 80.218 1.00 0.00 N ATOM 23988 C2 G B1116 25.743 45.993 79.326 1.00 0.00 C ATOM 23989 N2 G B1116 24.524 45.841 78.796 1.00 0.00 N ATOM 23990 N3 G B1116 26.733 45.171 78.993 1.00 0.00 N ATOM 23991 C4 G B1116 27.895 45.482 79.630 1.00 0.00 C ATOM 23992 P C B1117 33.358 44.102 74.513 1.00 0.00 P ATOM 23993 O1P C B1117 33.796 42.827 73.905 1.00 0.00 O ATOM 23994 O2P C B1117 34.154 45.295 74.155 1.00 0.00 O ATOM 23995 O5* C B1117 31.815 44.361 74.172 1.00 0.00 O ATOM 23996 C5* C B1117 30.988 43.246 73.790 1.00 0.00 C ATOM 23997 C4* C B1117 29.548 43.694 73.639 1.00 0.00 C ATOM 23998 O4* C B1117 29.026 44.057 74.950 1.00 0.00 O ATOM 23999 C3* C B1117 29.328 44.950 72.795 1.00 0.00 C ATOM 24000 O3* C B1117 29.270 44.649 71.436 1.00 0.00 O ATOM 24001 C2* C B1117 28.002 45.473 73.341 1.00 0.00 C ATOM 24002 O2* C B1117 26.916 44.708 72.846 1.00 0.00 O ATOM 24003 C1* C B1117 28.132 45.151 74.826 1.00 0.00 C ATOM 24004 N1 C B1117 28.666 46.277 75.640 1.00 0.00 N ATOM 24005 C2 C B1117 27.820 47.352 75.899 1.00 0.00 C ATOM 24006 O2 C B1117 26.669 47.326 75.449 1.00 0.00 O ATOM 24007 N3 C B1117 28.289 48.387 76.637 1.00 0.00 N ATOM 24008 C4 C B1117 29.541 48.378 77.110 1.00 0.00 C ATOM 24009 N4 C B1117 29.949 49.414 77.826 1.00 0.00 N ATOM 24010 C5 C B1117 30.429 47.284 76.854 1.00 0.00 C ATOM 24011 C6 C B1117 29.943 46.259 76.114 1.00 0.00 C ATOM 24012 P C B1118 29.856 45.736 70.366 1.00 0.00 P ATOM 24013 O1P C B1118 30.042 45.098 69.043 1.00 0.00 O ATOM 24014 O2P C B1118 31.050 46.393 70.937 1.00 0.00 O ATOM 24015 O5* C B1118 28.643 46.776 70.300 1.00 0.00 O ATOM 24016 C5* C B1118 27.354 46.319 69.856 1.00 0.00 C ATOM 24017 C4* C B1118 26.334 47.432 69.991 1.00 0.00 C ATOM 24018 O4* C B1118 26.116 47.704 71.405 1.00 0.00 O ATOM 24019 C3* C B1118 26.746 48.787 69.414 1.00 0.00 C ATOM 24020 O3* C B1118 26.490 48.860 68.048 1.00 0.00 O ATOM 24021 C2* C B1118 25.887 49.754 70.227 1.00 0.00 C ATOM 24022 O2* C B1118 24.546 49.743 69.768 1.00 0.00 O ATOM 24023 C1* C B1118 25.892 49.091 71.601 1.00 0.00 C ATOM 24024 N1 C B1118 26.954 49.604 72.510 1.00 0.00 N ATOM 24025 C2 C B1118 26.775 50.868 73.068 1.00 0.00 C ATOM 24026 O2 C B1118 25.753 51.506 72.788 1.00 0.00 O ATOM 24027 N3 C B1118 27.733 51.354 73.898 1.00 0.00 N ATOM 24028 C4 C B1118 28.827 50.634 74.175 1.00 0.00 C ATOM 24029 N4 C B1118 29.731 51.154 74.992 1.00 0.00 N ATOM 24030 C5 C B1118 29.029 49.333 73.611 1.00 0.00 C ATOM 24031 C6 C B1118 28.062 48.865 72.784 1.00 0.00 C ATOM 24032 P U B1119 27.503 49.728 67.105 1.00 0.00 P ATOM 24033 O1P U B1119 27.291 49.390 65.680 1.00 0.00 O ATOM 24034 O2P U B1119 28.889 49.578 67.602 1.00 0.00 O ATOM 24035 O5* U B1119 26.984 51.214 67.393 1.00 0.00 O ATOM 24036 C5* U B1119 25.622 51.552 67.066 1.00 0.00 C ATOM 24037 C4* U B1119 25.310 52.959 67.533 1.00 0.00 C ATOM 24038 O4* U B1119 25.314 52.983 68.990 1.00 0.00 O ATOM 24039 C3* U B1119 26.329 54.030 67.146 1.00 0.00 C ATOM 24040 O3* U B1119 26.095 54.520 65.863 1.00 0.00 O ATOM 24041 C2* U B1119 26.109 55.087 68.227 1.00 0.00 C ATOM 24042 O2* U B1119 24.930 55.833 67.969 1.00 0.00 O ATOM 24043 C1* U B1119 25.832 54.222 69.450 1.00 0.00 C ATOM 24044 N1 U B1119 27.040 53.939 70.272 1.00 0.00 N ATOM 24045 C2 U B1119 27.528 54.969 71.041 1.00 0.00 C ATOM 24046 O2 U B1119 27.014 56.074 71.072 1.00 0.00 O ATOM 24047 N3 U B1119 28.650 54.670 71.789 1.00 0.00 N ATOM 24048 C4 U B1119 29.308 53.458 71.830 1.00 0.00 C ATOM 24049 O4 U B1119 30.307 53.311 72.540 1.00 0.00 O ATOM 24050 C5 U B1119 28.723 52.442 70.990 1.00 0.00 C ATOM 24051 C6 U B1119 27.633 52.706 70.250 1.00 0.00 C ATOM 24052 P G B1120 27.370 54.967 64.947 1.00 0.00 P ATOM 24053 O1P G B1120 26.963 55.100 63.531 1.00 0.00 O ATOM 24054 O2P G B1120 28.507 54.057 65.209 1.00 0.00 O ATOM 24055 O5* G B1120 27.683 56.413 65.555 1.00 0.00 O ATOM 24056 C5* G B1120 26.670 57.432 65.491 1.00 0.00 C ATOM 24057 C4* G B1120 27.130 58.670 66.233 1.00 0.00 C ATOM 24058 O4* G B1120 27.200 58.368 67.656 1.00 0.00 O ATOM 24059 C3* G B1120 28.535 59.168 65.892 1.00 0.00 C ATOM 24060 O3* G B1120 28.531 59.976 64.760 1.00 0.00 O ATOM 24061 C2* G B1120 28.920 59.931 67.158 1.00 0.00 C ATOM 24062 O2* G B1120 28.271 61.189 67.204 1.00 0.00 O ATOM 24063 C1* G B1120 28.289 59.064 68.242 1.00 0.00 C ATOM 24064 N9 G B1120 29.221 58.055 68.824 1.00 0.00 N ATOM 24065 C8 G B1120 29.261 56.693 68.624 1.00 0.00 C ATOM 24066 N7 G B1120 30.217 56.086 69.288 1.00 0.00 N ATOM 24067 C5 G B1120 30.852 57.121 69.975 1.00 0.00 C ATOM 24068 C6 G B1120 31.961 57.087 70.860 1.00 0.00 C ATOM 24069 O6 G B1120 32.620 56.117 71.226 1.00 0.00 O ATOM 24070 N1 G B1120 32.279 58.367 71.332 1.00 0.00 N ATOM 24071 C2 G B1120 31.616 59.529 70.994 1.00 0.00 C ATOM 24072 N2 G B1120 32.075 60.650 71.553 1.00 0.00 N ATOM 24073 N3 G B1120 30.576 59.562 70.163 1.00 0.00 N ATOM 24074 C4 G B1120 30.252 58.327 69.695 1.00 0.00 C ATOM 24075 P C B1121 29.821 59.937 63.760 1.00 0.00 P ATOM 24076 O1P C B1121 29.483 60.557 62.460 1.00 0.00 O ATOM 24077 O2P C B1121 30.350 58.557 63.695 1.00 0.00 O ATOM 24078 O5* C B1121 30.846 60.873 64.557 1.00 0.00 O ATOM 24079 C5* C B1121 30.482 62.242 64.813 1.00 0.00 C ATOM 24080 C4* C B1121 31.535 62.904 65.682 1.00 0.00 C ATOM 24081 O4* C B1121 31.497 62.300 67.007 1.00 0.00 O ATOM 24082 C3* C B1121 32.984 62.716 65.234 1.00 0.00 C ATOM 24083 O3* C B1121 33.345 63.652 64.268 1.00 0.00 O ATOM 24084 C2* C B1121 33.751 62.893 66.542 1.00 0.00 C ATOM 24085 O2* C B1121 33.827 64.266 66.895 1.00 0.00 O ATOM 24086 C1* C B1121 32.808 62.230 67.541 1.00 0.00 C ATOM 24087 N1 C B1121 33.126 60.798 67.800 1.00 0.00 N ATOM 24088 C2 C B1121 34.240 60.510 68.582 1.00 0.00 C ATOM 24089 O2 C B1121 34.913 61.447 69.029 1.00 0.00 O ATOM 24090 N3 C B1121 34.546 59.211 68.832 1.00 0.00 N ATOM 24091 C4 C B1121 33.791 58.224 68.332 1.00 0.00 C ATOM 24092 N4 C B1121 34.130 56.974 68.602 1.00 0.00 N ATOM 24093 C5 C B1121 32.639 58.500 67.522 1.00 0.00 C ATOM 24094 C6 C B1121 32.352 59.803 67.286 1.00 0.00 C ATOM 24095 P G B1122 32.580 63.735 62.607 1.00 0.00 P ATOM 24096 O1P G B1122 32.047 65.085 62.331 1.00 0.00 O ATOM 24097 O2P G B1122 31.660 62.606 62.318 1.00 0.00 O ATOM 24098 O5* G B1122 34.211 63.498 61.841 1.00 0.00 O ATOM 24099 C5* G B1122 35.220 62.720 61.196 1.00 0.00 C ATOM 24100 C4* G B1122 36.675 63.420 61.093 1.00 0.00 C ATOM 24101 O4* G B1122 37.025 64.170 59.892 1.00 0.00 O ATOM 24102 C3* G B1122 37.451 64.130 62.206 1.00 0.00 C ATOM 24103 O3* G B1122 37.844 63.396 63.496 1.00 0.00 O ATOM 24104 C2* G B1122 38.746 64.522 61.494 1.00 0.00 C ATOM 24105 O2* G B1122 39.597 63.397 61.339 1.00 0.00 O ATOM 24106 C1* G B1122 38.232 64.886 60.105 1.00 0.00 C ATOM 24107 N9 G B1122 37.915 66.565 59.874 1.00 0.00 N ATOM 24108 C8 G B1122 36.704 67.213 59.740 1.00 0.00 C ATOM 24109 N7 G B1122 36.814 68.497 59.503 1.00 0.00 N ATOM 24110 C5 G B1122 38.187 68.716 59.474 1.00 0.00 C ATOM 24111 C6 G B1122 38.917 69.915 59.259 1.00 0.00 C ATOM 24112 O6 G B1122 38.494 71.049 59.044 1.00 0.00 O ATOM 24113 N1 G B1122 40.300 69.686 59.314 1.00 0.00 N ATOM 24114 C2 G B1122 40.900 68.463 59.547 1.00 0.00 C ATOM 24115 N2 G B1122 42.233 68.459 59.564 1.00 0.00 N ATOM 24116 N3 G B1122 40.214 67.341 59.750 1.00 0.00 N ATOM 24117 C4 G B1122 38.871 67.543 59.701 1.00 0.00 C ATOM 24118 P C B1123 36.708 62.870 64.798 1.00 0.00 P ATOM 24119 O1P C B1123 36.035 61.604 64.432 1.00 0.00 O ATOM 24120 O2P C B1123 35.859 63.885 65.454 1.00 0.00 O ATOM 24121 O5* C B1123 37.984 62.559 65.715 1.00 0.00 O ATOM 24122 C5* C B1123 38.343 63.491 66.752 1.00 0.00 C ATOM 24123 C4* C B1123 39.494 62.936 67.567 1.00 0.00 C ATOM 24124 O4* C B1123 39.028 61.775 68.314 1.00 0.00 O ATOM 24125 C3* C B1123 40.684 62.403 66.768 1.00 0.00 C ATOM 24126 O3* C B1123 41.561 63.427 66.415 1.00 0.00 O ATOM 24127 C2* C B1123 41.304 61.405 67.742 1.00 0.00 C ATOM 24128 O2* C B1123 42.030 62.077 68.757 1.00 0.00 O ATOM 24129 C1* C B1123 40.065 60.812 68.404 1.00 0.00 C ATOM 24130 N1 C B1123 39.585 59.560 67.759 1.00 0.00 N ATOM 24131 C2 C B1123 40.315 58.393 67.978 1.00 0.00 C ATOM 24132 O2 C B1123 41.324 58.451 68.688 1.00 0.00 O ATOM 24133 N3 C B1123 39.896 57.242 67.397 1.00 0.00 N ATOM 24134 C4 C B1123 38.796 57.225 66.630 1.00 0.00 C ATOM 24135 N4 C B1123 38.427 56.075 66.089 1.00 0.00 N ATOM 24136 C5 C B1123 38.029 58.411 66.395 1.00 0.00 C ATOM 24137 C6 C B1123 38.467 59.552 66.981 1.00 0.00 C ATOM 24138 P G B1124 42.356 63.325 64.993 1.00 0.00 P ATOM 24139 O1P G B1124 42.935 64.640 64.636 1.00 0.00 O ATOM 24140 O2P G B1124 41.467 62.714 63.978 1.00 0.00 O ATOM 24141 O5* G B1124 43.525 62.303 65.372 1.00 0.00 O ATOM 24142 C5* G B1124 44.457 62.664 66.410 1.00 0.00 C ATOM 24143 C4* G B1124 45.395 61.505 66.690 1.00 0.00 C ATOM 24144 O4* G B1124 44.634 60.419 67.292 1.00 0.00 O ATOM 24145 C3* G B1124 46.045 60.866 65.464 1.00 0.00 C ATOM 24146 O3* G B1124 47.188 61.561 65.069 1.00 0.00 O ATOM 24147 C2* G B1124 46.357 59.458 65.965 1.00 0.00 C ATOM 24148 O2* G B1124 47.495 59.468 66.813 1.00 0.00 O ATOM 24149 C1* G B1124 45.146 59.170 66.846 1.00 0.00 C ATOM 24150 N9 G B1124 44.053 58.447 66.142 1.00 0.00 N ATOM 24151 C8 G B1124 42.838 58.926 65.698 1.00 0.00 C ATOM 24152 N7 G B1124 42.091 58.021 65.111 1.00 0.00 N ATOM 24153 C5 G B1124 42.865 56.863 65.171 1.00 0.00 C ATOM 24154 C6 G B1124 42.591 55.556 64.697 1.00 0.00 C ATOM 24155 O6 G B1124 41.588 55.139 64.118 1.00 0.00 O ATOM 24156 N1 G B1124 43.653 54.679 64.965 1.00 0.00 N ATOM 24157 C2 G B1124 44.826 55.023 65.606 1.00 0.00 C ATOM 24158 N2 G B1124 45.716 54.043 65.765 1.00 0.00 N ATOM 24159 N3 G B1124 45.085 56.252 66.048 1.00 0.00 N ATOM 24160 C4 G B1124 44.063 57.113 65.798 1.00 0.00 C ATOM 24161 P G B1125 46.904 61.054 63.219 1.00 0.00 P ATOM 24162 O1P G B1125 48.125 60.348 62.761 1.00 0.00 O ATOM 24163 O2P G B1125 46.553 62.273 62.458 1.00 0.00 O ATOM 24164 O5* G B1125 45.427 59.828 63.053 1.00 0.00 O ATOM 24165 C5* G B1125 44.600 58.555 62.598 1.00 0.00 C ATOM 24166 C4* G B1125 42.969 58.468 61.956 1.00 0.00 C ATOM 24167 O4* G B1125 42.856 59.864 61.555 1.00 0.00 O ATOM 24168 C3* G B1125 42.449 57.690 60.746 1.00 0.00 C ATOM 24169 O3* G B1125 42.062 56.113 60.516 1.00 0.00 O ATOM 24170 C2* G B1125 41.322 58.594 60.247 1.00 0.00 C ATOM 24171 O2* G B1125 40.177 58.473 61.070 1.00 0.00 O ATOM 24172 C1* G B1125 41.912 59.982 60.505 1.00 0.00 C ATOM 24173 N9 G B1125 42.699 60.693 59.145 1.00 0.00 N ATOM 24174 C8 G B1125 43.767 61.560 59.116 1.00 0.00 C ATOM 24175 N7 G B1125 44.247 61.787 57.914 1.00 0.00 N ATOM 24176 C5 G B1125 43.430 61.018 57.085 1.00 0.00 C ATOM 24177 C6 G B1125 43.454 60.848 55.677 1.00 0.00 C ATOM 24178 O6 G B1125 44.212 61.357 54.857 1.00 0.00 O ATOM 24179 N1 G B1125 42.448 59.980 55.243 1.00 0.00 N ATOM 24180 C2 G B1125 41.531 59.346 56.068 1.00 0.00 C ATOM 24181 N2 G B1125 40.649 58.554 55.460 1.00 0.00 N ATOM 24182 N3 G B1125 41.506 59.501 57.391 1.00 0.00 N ATOM 24183 C4 G B1125 42.485 60.347 57.822 1.00 0.00 C ATOM 24184 P A B1126 40.351 55.253 60.747 1.00 0.00 P ATOM 24185 O1P A B1126 39.238 56.202 60.515 1.00 0.00 O ATOM 24186 O2P A B1126 40.488 54.744 62.133 1.00 0.00 O ATOM 24187 O5* A B1126 40.001 53.629 59.774 1.00 0.00 O ATOM 24188 C5* A B1126 39.170 52.345 59.405 1.00 0.00 C ATOM 24189 C4* A B1126 38.865 51.094 60.589 1.00 0.00 C ATOM 24190 O4* A B1126 39.618 51.817 61.610 1.00 0.00 O ATOM 24191 C3* A B1126 37.519 50.812 61.260 1.00 0.00 C ATOM 24192 O3* A B1126 36.392 49.976 60.651 1.00 0.00 O ATOM 24193 C2* A B1126 37.932 50.560 62.709 1.00 0.00 C ATOM 24194 O2* A B1126 38.494 49.270 62.855 1.00 0.00 O ATOM 24195 C1* A B1126 39.065 51.561 62.889 1.00 0.00 C ATOM 24196 N9 A B1126 38.611 53.002 63.555 1.00 0.00 N ATOM 24197 C8 A B1126 39.412 53.972 64.116 1.00 0.00 C ATOM 24198 N7 A B1126 38.793 55.087 64.367 1.00 0.00 N ATOM 24199 C5 A B1126 37.492 54.847 63.947 1.00 0.00 C ATOM 24200 C6 A B1126 36.336 55.641 63.938 1.00 0.00 C ATOM 24201 N6 A B1126 36.306 56.907 64.397 1.00 0.00 N ATOM 24202 N1 A B1126 35.209 55.101 63.452 1.00 0.00 N ATOM 24203 C2 A B1126 35.246 53.847 62.998 1.00 0.00 C ATOM 24204 N3 A B1126 36.259 53.012 62.951 1.00 0.00 N ATOM 24205 C4 A B1126 37.374 53.583 63.451 1.00 0.00 C ATOM 24206 P A B1127 35.603 48.427 61.327 1.00 0.00 P ATOM 24207 O1P A B1127 35.062 47.804 60.099 1.00 0.00 O ATOM 24208 O2P A B1127 34.649 48.596 62.442 1.00 0.00 O ATOM 24209 O5* A B1127 37.060 47.528 62.002 1.00 0.00 O ATOM 24210 C5* A B1127 37.272 46.647 63.154 1.00 0.00 C ATOM 24211 C4* A B1127 37.066 47.417 64.561 1.00 0.00 C ATOM 24212 O4* A B1127 36.038 48.451 64.665 1.00 0.00 O ATOM 24213 C3* A B1127 37.352 47.043 66.015 1.00 0.00 C ATOM 24214 O3* A B1127 38.545 46.244 66.530 1.00 0.00 O ATOM 24215 C2* A B1127 37.219 48.388 66.728 1.00 0.00 C ATOM 24216 O2* A B1127 38.361 49.195 66.496 1.00 0.00 O ATOM 24217 C1* A B1127 36.066 49.026 65.959 1.00 0.00 C ATOM 24218 N9 A B1127 34.557 48.820 66.662 1.00 0.00 N ATOM 24219 C8 A B1127 33.446 48.201 66.136 1.00 0.00 C ATOM 24220 N7 A B1127 32.372 48.350 66.850 1.00 0.00 N ATOM 24221 C5 A B1127 32.793 49.120 67.926 1.00 0.00 C ATOM 24222 C6 A B1127 32.118 49.627 69.048 1.00 0.00 C ATOM 24223 N6 A B1127 30.815 49.420 69.280 1.00 0.00 N ATOM 24224 N1 A B1127 32.831 50.354 69.927 1.00 0.00 N ATOM 24225 C2 A B1127 34.127 50.553 69.688 1.00 0.00 C ATOM 24226 N3 A B1127 34.857 50.137 68.677 1.00 0.00 N ATOM 24227 C4 A B1127 34.120 49.406 67.817 1.00 0.00 C ATOM 24228 P G B1128 38.561 46.325 68.365 1.00 0.00 P ATOM 24229 O1P G B1128 38.685 47.701 68.886 1.00 0.00 O ATOM 24230 O2P G B1128 39.501 45.331 68.936 1.00 0.00 O ATOM 24231 O5* G B1128 36.848 45.729 68.411 1.00 0.00 O ATOM 24232 C5* G B1128 36.514 44.439 67.887 1.00 0.00 C ATOM 24233 C4* G B1128 36.961 43.228 68.918 1.00 0.00 C ATOM 24234 O4* G B1128 38.379 43.028 69.173 1.00 0.00 O ATOM 24235 C3* G B1128 36.362 41.822 69.024 1.00 0.00 C ATOM 24236 O3* G B1128 34.999 41.525 68.206 1.00 0.00 O ATOM 24237 C2* G B1128 37.471 40.960 68.425 1.00 0.00 C ATOM 24238 O2* G B1128 37.486 41.065 67.013 1.00 0.00 O ATOM 24239 C1* G B1128 38.722 41.670 68.938 1.00 0.00 C ATOM 24240 N9 G B1128 39.414 40.979 70.469 1.00 0.00 N ATOM 24241 C8 G B1128 40.686 40.508 70.713 1.00 0.00 C ATOM 24242 N7 G B1128 40.890 40.140 71.960 1.00 0.00 N ATOM 24243 C5 G B1128 39.661 40.388 72.575 1.00 0.00 C ATOM 24244 C6 G B1128 39.265 40.189 73.923 1.00 0.00 C ATOM 24245 O6 G B1128 39.922 39.750 74.867 1.00 0.00 O ATOM 24246 N1 G B1128 37.933 40.574 74.123 1.00 0.00 N ATOM 24247 C2 G B1128 37.092 41.082 73.150 1.00 0.00 C ATOM 24248 N2 G B1128 35.854 41.386 73.542 1.00 0.00 N ATOM 24249 N3 G B1128 37.465 41.265 71.889 1.00 0.00 N ATOM 24250 C4 G B1128 38.761 40.898 71.673 1.00 0.00 C ATOM 24251 P A B1129 33.220 42.144 67.999 1.00 0.00 P ATOM 24252 O1P A B1129 32.680 41.361 66.860 1.00 0.00 O ATOM 24253 O2P A B1129 33.114 43.615 67.879 1.00 0.00 O ATOM 24254 O5* A B1129 32.260 41.533 69.486 1.00 0.00 O ATOM 24255 C5* A B1129 30.835 41.465 69.860 1.00 0.00 C ATOM 24256 C4* A B1129 30.060 40.525 71.061 1.00 0.00 C ATOM 24257 O4* A B1129 29.228 39.397 70.666 1.00 0.00 O ATOM 24258 C3* A B1129 29.276 41.186 72.193 1.00 0.00 C ATOM 24259 O3* A B1129 29.724 41.282 73.680 1.00 0.00 O ATOM 24260 C2* A B1129 27.829 40.995 71.728 1.00 0.00 C ATOM 24261 O2* A B1129 27.511 41.915 70.701 1.00 0.00 O ATOM 24262 C1* A B1129 27.892 39.613 71.087 1.00 0.00 C ATOM 24263 N9 A B1129 27.441 38.336 72.112 1.00 0.00 N ATOM 24264 C8 A B1129 27.991 37.080 72.206 1.00 0.00 C ATOM 24265 N7 A B1129 27.531 36.374 73.195 1.00 0.00 N ATOM 24266 C5 A B1129 26.609 37.215 73.800 1.00 0.00 C ATOM 24267 C6 A B1129 25.773 37.052 74.919 1.00 0.00 C ATOM 24268 N6 A B1129 25.732 35.929 75.656 1.00 0.00 N ATOM 24269 N1 A B1129 24.979 38.087 75.253 1.00 0.00 N ATOM 24270 C2 A B1129 25.025 39.198 74.521 1.00 0.00 C ATOM 24271 N3 A B1129 25.764 39.461 73.461 1.00 0.00 N ATOM 24272 C4 A B1129 26.549 38.410 73.148 1.00 0.00 C ATOM 24273 P U B1130 29.545 39.917 74.883 1.00 0.00 P ATOM 24274 O1P U B1130 28.299 39.143 74.677 1.00 0.00 O ATOM 24275 O2P U B1130 29.808 40.358 76.274 1.00 0.00 O ATOM 24276 O5* U B1130 31.041 39.075 74.259 1.00 0.00 O ATOM 24277 C5* U B1130 31.685 38.292 75.289 1.00 0.00 C ATOM 24278 C4* U B1130 33.060 37.563 74.926 1.00 0.00 C ATOM 24279 O4* U B1130 34.298 38.288 75.190 1.00 0.00 O ATOM 24280 C3* U B1130 33.415 36.107 75.230 1.00 0.00 C ATOM 24281 O3* U B1130 32.061 34.979 74.920 1.00 0.00 O ATOM 24282 C2* U B1130 34.862 36.020 74.744 1.00 0.00 C ATOM 24283 O2* U B1130 34.914 35.948 73.333 1.00 0.00 O ATOM 24284 C1* U B1130 35.394 37.393 75.139 1.00 0.00 C ATOM 24285 N1 U B1130 36.187 37.439 76.625 1.00 0.00 N ATOM 24286 C2 U B1130 37.509 37.814 76.615 1.00 0.00 C ATOM 24287 O2 U B1130 38.138 38.015 75.589 1.00 0.00 O ATOM 24288 N3 U B1130 38.094 37.957 77.860 1.00 0.00 N ATOM 24289 C4 U B1130 37.482 37.757 79.079 1.00 0.00 C ATOM 24290 O4 U B1130 38.110 37.916 80.127 1.00 0.00 O ATOM 24291 C5 U B1130 36.098 37.367 78.986 1.00 0.00 C ATOM 24292 C6 U B1130 35.504 37.219 77.789 1.00 0.00 C ATOM 24293 P G B1131 31.085 33.486 73.911 1.00 0.00 P ATOM 24294 O1P G B1131 29.753 33.759 74.500 1.00 0.00 O ATOM 24295 O2P G B1131 31.633 32.129 74.148 1.00 0.00 O ATOM 24296 O5* G B1131 30.881 33.287 71.968 1.00 0.00 O ATOM 24297 C5* G B1131 30.407 32.732 70.545 1.00 0.00 C ATOM 24298 C4* G B1131 29.833 31.195 70.006 1.00 0.00 C ATOM 24299 O4* G B1131 29.337 30.774 68.700 1.00 0.00 O ATOM 24300 C3* G B1131 30.505 29.941 70.565 1.00 0.00 C ATOM 24301 O3* G B1131 30.744 30.047 72.030 1.00 0.00 O ATOM 24302 C2* G B1131 29.597 28.828 70.047 1.00 0.00 C ATOM 24303 O2* G B1131 28.399 28.764 70.798 1.00 0.00 O ATOM 24304 C1* G B1131 29.228 29.353 68.663 1.00 0.00 C ATOM 24305 N9 G B1131 30.251 28.749 67.347 1.00 0.00 N ATOM 24306 C8 G B1131 30.967 29.452 66.409 1.00 0.00 C ATOM 24307 N7 G B1131 31.686 28.704 65.608 1.00 0.00 N ATOM 24308 C5 G B1131 31.427 27.404 66.050 1.00 0.00 C ATOM 24309 C6 G B1131 31.914 26.163 65.574 1.00 0.00 C ATOM 24310 O6 G B1131 32.693 25.947 64.648 1.00 0.00 O ATOM 24311 N1 G B1131 31.397 25.092 66.310 1.00 0.00 N ATOM 24312 C2 G B1131 30.513 25.205 67.370 1.00 0.00 C ATOM 24313 N2 G B1131 30.134 24.063 67.944 1.00 0.00 N ATOM 24314 N3 G B1131 30.057 26.373 67.816 1.00 0.00 N ATOM 24315 C4 G B1131 30.554 27.424 67.110 1.00 0.00 C ATOM 24316 P U B1132 32.489 29.575 72.185 1.00 0.00 P ATOM 24317 O1P U B1132 32.675 28.126 71.963 1.00 0.00 O ATOM 24318 O2P U B1132 32.991 30.098 73.480 1.00 0.00 O ATOM 24319 O5* U B1132 33.043 30.539 70.713 1.00 0.00 O ATOM 24320 C5* U B1132 33.243 31.692 69.806 1.00 0.00 C ATOM 24321 C4* U B1132 33.558 31.600 68.182 1.00 0.00 C ATOM 24322 O4* U B1132 34.864 31.184 67.691 1.00 0.00 O ATOM 24323 C3* U B1132 32.595 31.203 67.061 1.00 0.00 C ATOM 24324 O3* U B1132 31.116 31.551 67.020 1.00 0.00 O ATOM 24325 C2* U B1132 33.437 31.471 65.811 1.00 0.00 C ATOM 24326 O2* U B1132 33.497 32.858 65.536 1.00 0.00 O ATOM 24327 C1* U B1132 34.826 31.046 66.274 1.00 0.00 C ATOM 24328 N1 U B1132 35.250 29.424 65.876 1.00 0.00 N ATOM 24329 C2 U B1132 36.363 29.246 65.093 1.00 0.00 C ATOM 24330 O2 U B1132 36.981 30.173 64.603 1.00 0.00 O ATOM 24331 N3 U B1132 36.742 27.937 64.888 1.00 0.00 N ATOM 24332 C4 U B1132 36.120 26.814 65.396 1.00 0.00 C ATOM 24333 O4 U B1132 36.550 25.687 65.146 1.00 0.00 O ATOM 24334 C5 U B1132 34.958 27.097 66.207 1.00 0.00 C ATOM 24335 C6 U B1132 34.566 28.365 66.420 1.00 0.00 C ATOM 24336 P A B1133 30.234 32.096 65.443 1.00 0.00 P ATOM 24337 O1P A B1133 31.058 33.125 64.765 1.00 0.00 O ATOM 24338 O2P A B1133 28.935 32.564 65.979 1.00 0.00 O ATOM 24339 O5* A B1133 29.859 30.673 64.233 1.00 0.00 O ATOM 24340 C5* A B1133 29.890 29.814 62.936 1.00 0.00 C ATOM 24341 C4* A B1133 28.694 29.252 61.835 1.00 0.00 C ATOM 24342 O4* A B1133 27.715 28.348 62.420 1.00 0.00 O ATOM 24343 C3* A B1133 28.594 28.979 60.331 1.00 0.00 C ATOM 24344 O3* A B1133 29.524 29.267 59.111 1.00 0.00 O ATOM 24345 C2* A B1133 28.340 27.474 60.299 1.00 0.00 C ATOM 24346 O2* A B1133 29.531 26.754 60.557 1.00 0.00 O ATOM 24347 C1* A B1133 27.437 27.290 61.517 1.00 0.00 C ATOM 24348 N9 A B1133 25.783 27.303 61.175 1.00 0.00 N ATOM 24349 C8 A B1133 24.763 27.880 61.903 1.00 0.00 C ATOM 24350 N7 A B1133 23.575 27.551 61.494 1.00 0.00 N ATOM 24351 C5 A B1133 23.812 26.701 60.426 1.00 0.00 C ATOM 24352 C6 A B1133 22.947 26.010 59.558 1.00 0.00 C ATOM 24353 N6 A B1133 21.609 26.072 59.643 1.00 0.00 N ATOM 24354 N1 A B1133 23.509 25.254 58.602 1.00 0.00 N ATOM 24355 C2 A B1133 24.839 25.201 58.522 1.00 0.00 C ATOM 24356 N3 A B1133 25.741 25.792 59.270 1.00 0.00 N ATOM 24357 C4 A B1133 25.152 26.548 60.225 1.00 0.00 C ATOM 24358 P A B1134 29.019 29.098 57.287 1.00 0.00 P ATOM 24359 O1P A B1134 30.230 29.314 56.472 1.00 0.00 O ATOM 24360 O2P A B1134 27.891 30.025 57.029 1.00 0.00 O ATOM 24361 O5* A B1134 28.502 27.340 56.865 1.00 0.00 O ATOM 24362 C5* A B1134 28.482 26.412 55.672 1.00 0.00 C ATOM 24363 C4* A B1134 27.595 26.857 54.331 1.00 0.00 C ATOM 24364 O4* A B1134 27.448 28.304 54.415 1.00 0.00 O ATOM 24365 C3* A B1134 27.803 26.598 52.838 1.00 0.00 C ATOM 24366 O3* A B1134 28.180 25.282 52.047 1.00 0.00 O ATOM 24367 C2* A B1134 26.893 27.644 52.200 1.00 0.00 C ATOM 24368 O2* A B1134 25.536 27.251 52.284 1.00 0.00 O ATOM 24369 C1* A B1134 27.078 28.826 53.145 1.00 0.00 C ATOM 24370 N9 A B1134 28.259 29.936 52.662 1.00 0.00 N ATOM 24371 C8 A B1134 29.331 30.417 53.387 1.00 0.00 C ATOM 24372 N7 A B1134 29.963 31.390 52.805 1.00 0.00 N ATOM 24373 C5 A B1134 29.276 31.572 51.616 1.00 0.00 C ATOM 24374 C6 A B1134 29.460 32.464 50.545 1.00 0.00 C ATOM 24375 N6 A B1134 30.439 33.385 50.504 1.00 0.00 N ATOM 24376 N1 A B1134 28.597 32.379 49.514 1.00 0.00 N ATOM 24377 C2 A B1134 27.630 31.462 49.560 1.00 0.00 C ATOM 24378 N3 A B1134 27.363 30.582 50.500 1.00 0.00 N ATOM 24379 C4 A B1134 28.238 30.690 51.522 1.00 0.00 C ATOM 24380 P C B1135 27.513 24.565 50.418 1.00 0.00 P ATOM 24381 O1P C B1135 26.390 25.393 49.916 1.00 0.00 O ATOM 24382 O2P C B1135 27.185 23.158 50.725 1.00 0.00 O ATOM 24383 O5* C B1135 28.865 24.528 49.075 1.00 0.00 O ATOM 24384 C5* C B1135 29.811 23.906 48.033 1.00 0.00 C ATOM 24385 C4* C B1135 30.623 24.617 46.736 1.00 0.00 C ATOM 24386 O4* C B1135 30.679 26.076 46.655 1.00 0.00 O ATOM 24387 C3* C B1135 31.883 24.161 46.001 1.00 0.00 C ATOM 24388 O3* C B1135 32.041 22.684 45.577 1.00 0.00 O ATOM 24389 C2* C B1135 31.995 25.193 44.880 1.00 0.00 C ATOM 24390 O2* C B1135 31.055 24.922 43.856 1.00 0.00 O ATOM 24391 C1* C B1135 31.528 26.461 45.591 1.00 0.00 C ATOM 24392 N1 C B1135 32.791 27.430 46.230 1.00 0.00 N ATOM 24393 C2 C B1135 34.026 27.390 45.593 1.00 0.00 C ATOM 24394 O2 C B1135 34.169 26.649 44.614 1.00 0.00 O ATOM 24395 N3 C B1135 35.034 28.171 46.068 1.00 0.00 N ATOM 24396 C4 C B1135 34.841 28.963 47.131 1.00 0.00 C ATOM 24397 N4 C B1135 35.852 29.701 47.555 1.00 0.00 N ATOM 24398 C5 C B1135 33.578 29.019 47.800 1.00 0.00 C ATOM 24399 C6 C B1135 32.583 28.236 47.309 1.00 0.00 C ATOM 24400 P G B1136 31.334 22.110 43.975 1.00 0.00 P ATOM 24401 O1P G B1136 30.009 22.726 43.724 1.00 0.00 O ATOM 24402 O2P G B1136 31.387 20.634 43.858 1.00 0.00 O ATOM 24403 O5* G B1136 32.668 22.855 42.971 1.00 0.00 O ATOM 24404 C5* G B1136 33.655 22.795 41.909 1.00 0.00 C ATOM 24405 C4* G B1136 33.522 21.475 40.967 1.00 0.00 C ATOM 24406 O4* G B1136 32.286 20.717 40.871 1.00 0.00 O ATOM 24407 C3* G B1136 34.541 20.619 40.208 1.00 0.00 C ATOM 24408 O3* G B1136 35.974 21.173 40.184 1.00 0.00 O ATOM 24409 C2* G B1136 34.089 19.201 40.560 1.00 0.00 C ATOM 24410 O2* G B1136 34.485 18.861 41.878 1.00 0.00 O ATOM 24411 C1* G B1136 32.576 19.356 40.581 1.00 0.00 C ATOM 24412 N9 G B1136 31.791 18.937 39.110 1.00 0.00 N ATOM 24413 C8 G B1136 31.019 19.724 38.284 1.00 0.00 C ATOM 24414 N7 G B1136 30.490 19.071 37.273 1.00 0.00 N ATOM 24415 C5 G B1136 30.942 17.764 37.449 1.00 0.00 C ATOM 24416 C6 G B1136 30.703 16.603 36.674 1.00 0.00 C ATOM 24417 O6 G B1136 30.024 16.483 35.649 1.00 0.00 O ATOM 24418 N1 G B1136 31.354 15.481 37.209 1.00 0.00 N ATOM 24419 C2 G B1136 32.142 15.485 38.345 1.00 0.00 C ATOM 24420 N2 G B1136 32.679 14.314 38.688 1.00 0.00 N ATOM 24421 N3 G B1136 32.367 16.581 39.070 1.00 0.00 N ATOM 24422 C4 G B1136 31.737 17.672 38.567 1.00 0.00 C ATOM 24423 P G B1137 37.640 20.407 39.933 1.00 0.00 P ATOM 24424 O1P G B1137 38.572 21.494 40.302 1.00 0.00 O ATOM 24425 O2P G B1137 37.965 19.671 38.691 1.00 0.00 O ATOM 24426 O5* G B1137 37.499 19.380 41.153 1.00 0.00 O ATOM 24427 C5* G B1137 36.506 18.341 41.081 1.00 0.00 C ATOM 24428 C4* G B1137 36.634 17.419 42.276 1.00 0.00 C ATOM 24429 O4* G B1137 37.887 16.681 42.173 1.00 0.00 O ATOM 24430 C3* G B1137 36.722 18.102 43.641 1.00 0.00 C ATOM 24431 O3* G B1137 35.457 18.406 44.141 1.00 0.00 O ATOM 24432 C2* G B1137 37.450 17.054 44.479 1.00 0.00 C ATOM 24433 O2* G B1137 36.573 15.999 44.838 1.00 0.00 O ATOM 24434 C1* G B1137 38.435 16.482 43.465 1.00 0.00 C ATOM 24435 N9 G B1137 39.775 17.133 43.501 1.00 0.00 N ATOM 24436 C8 G B1137 40.334 18.026 42.613 1.00 0.00 C ATOM 24437 N7 G B1137 41.545 18.415 42.936 1.00 0.00 N ATOM 24438 C5 G B1137 41.806 17.731 44.123 1.00 0.00 C ATOM 24439 C6 G B1137 42.957 17.742 44.951 1.00 0.00 C ATOM 24440 O6 G B1137 44.004 18.371 44.803 1.00 0.00 O ATOM 24441 N1 G B1137 42.799 16.900 46.059 1.00 0.00 N ATOM 24442 C2 G B1137 41.678 16.145 46.332 1.00 0.00 C ATOM 24443 N2 G B1137 41.723 15.407 47.444 1.00 0.00 N ATOM 24444 N3 G B1137 40.597 16.135 45.558 1.00 0.00 N ATOM 24445 C4 G B1137 40.732 16.946 44.476 1.00 0.00 C ATOM 24446 P G B1138 35.273 19.755 45.041 1.00 0.00 P ATOM 24447 O1P G B1138 33.839 20.098 45.164 1.00 0.00 O ATOM 24448 O2P G B1138 36.146 20.826 44.508 1.00 0.00 O ATOM 24449 O5* G B1138 35.833 19.252 46.453 1.00 0.00 O ATOM 24450 C5* G B1138 35.179 18.152 47.111 1.00 0.00 C ATOM 24451 C4* G B1138 35.943 17.764 48.360 1.00 0.00 C ATOM 24452 O4* G B1138 37.229 17.200 47.972 1.00 0.00 O ATOM 24453 C3* G B1138 36.315 18.917 49.296 1.00 0.00 C ATOM 24454 O3* G B1138 35.266 19.233 50.161 1.00 0.00 O ATOM 24455 C2* G B1138 37.532 18.355 50.027 1.00 0.00 C ATOM 24456 O2* G B1138 37.139 17.415 51.014 1.00 0.00 O ATOM 24457 C1* G B1138 38.221 17.568 48.917 1.00 0.00 C ATOM 24458 N9 G B1138 39.275 18.344 48.201 1.00 0.00 N ATOM 24459 C8 G B1138 39.241 18.898 46.939 1.00 0.00 C ATOM 24460 N7 G B1138 40.345 19.525 46.602 1.00 0.00 N ATOM 24461 C5 G B1138 41.166 19.371 47.720 1.00 0.00 C ATOM 24462 C6 G B1138 42.488 19.831 47.951 1.00 0.00 C ATOM 24463 O6 G B1138 43.216 20.480 47.207 1.00 0.00 O ATOM 24464 N1 G B1138 42.946 19.454 49.220 1.00 0.00 N ATOM 24465 C2 G B1138 42.221 18.729 50.143 1.00 0.00 C ATOM 24466 N2 G B1138 42.837 18.470 51.301 1.00 0.00 N ATOM 24467 N3 G B1138 40.981 18.297 49.928 1.00 0.00 N ATOM 24468 C4 G B1138 40.522 18.651 48.699 1.00 0.00 C ATOM 24469 P G B1139 34.879 20.871 50.860 1.00 0.00 P ATOM 24470 O1P G B1139 35.274 21.005 52.278 1.00 0.00 O ATOM 24471 O2P G B1139 33.489 21.268 50.536 1.00 0.00 O ATOM 24472 O5* G B1139 36.089 21.627 49.751 1.00 0.00 O ATOM 24473 C5* G B1139 35.391 22.254 48.681 1.00 0.00 C ATOM 24474 C4* G B1139 36.186 23.623 48.257 1.00 0.00 C ATOM 24475 O4* G B1139 37.531 23.185 47.907 1.00 0.00 O ATOM 24476 C3* G B1139 35.693 24.339 46.996 1.00 0.00 C ATOM 24477 O3* G B1139 34.524 25.310 47.293 1.00 0.00 O ATOM 24478 C2* G B1139 36.971 25.012 46.493 1.00 0.00 C ATOM 24479 O2* G B1139 37.274 26.156 47.267 1.00 0.00 O ATOM 24480 C1* G B1139 38.023 23.958 46.826 1.00 0.00 C ATOM 24481 N9 G B1139 38.394 22.925 45.570 1.00 0.00 N ATOM 24482 C8 G B1139 37.763 21.763 45.188 1.00 0.00 C ATOM 24483 N7 G B1139 38.367 21.125 44.208 1.00 0.00 N ATOM 24484 C5 G B1139 39.472 21.927 43.924 1.00 0.00 C ATOM 24485 C6 G B1139 40.498 21.759 42.960 1.00 0.00 C ATOM 24486 O6 G B1139 40.645 20.854 42.144 1.00 0.00 O ATOM 24487 N1 G B1139 41.426 22.810 43.015 1.00 0.00 N ATOM 24488 C2 G B1139 41.369 23.880 43.887 1.00 0.00 C ATOM 24489 N2 G B1139 42.350 24.777 43.776 1.00 0.00 N ATOM 24490 N3 G B1139 40.407 24.037 44.791 1.00 0.00 N ATOM 24491 C4 G B1139 39.497 23.026 44.754 1.00 0.00 C ATOM 24492 P C B1140 33.778 25.117 48.973 1.00 0.00 P ATOM 24493 O1P C B1140 34.790 25.081 50.057 1.00 0.00 O ATOM 24494 O2P C B1140 32.882 23.944 48.894 1.00 0.00 O ATOM 24495 O5* C B1140 32.859 26.687 49.142 1.00 0.00 O ATOM 24496 C5* C B1140 32.281 27.842 49.787 1.00 0.00 C ATOM 24497 C4* C B1140 30.693 27.955 49.498 1.00 0.00 C ATOM 24498 O4* C B1140 30.111 28.821 48.480 1.00 0.00 O ATOM 24499 C3* C B1140 29.860 26.672 49.411 1.00 0.00 C ATOM 24500 O3* C B1140 30.006 25.965 50.822 1.00 0.00 O ATOM 24501 C2* C B1140 28.469 27.216 49.104 1.00 0.00 C ATOM 24502 O2* C B1140 27.872 27.765 50.266 1.00 0.00 O ATOM 24503 C1* C B1140 28.793 28.388 48.180 1.00 0.00 C ATOM 24504 N1 C B1140 28.710 28.022 46.499 1.00 0.00 N ATOM 24505 C2 C B1140 27.815 27.041 46.094 1.00 0.00 C ATOM 24506 O2 C B1140 27.147 26.454 46.954 1.00 0.00 O ATOM 24507 N3 C B1140 27.705 26.759 44.771 1.00 0.00 N ATOM 24508 C4 C B1140 28.448 27.419 43.873 1.00 0.00 C ATOM 24509 N4 C B1140 28.303 27.110 42.594 1.00 0.00 N ATOM 24510 C5 C B1140 29.377 28.436 44.265 1.00 0.00 C ATOM 24511 C6 C B1140 29.473 28.699 45.595 1.00 0.00 C ATOM 24512 P U B1141 30.809 24.383 51.292 1.00 0.00 P ATOM 24513 O1P U B1141 32.256 24.515 51.574 1.00 0.00 O ATOM 24514 O2P U B1141 30.417 23.240 50.430 1.00 0.00 O ATOM 24515 O5* U B1141 30.011 24.365 52.932 1.00 0.00 O ATOM 24516 C5* U B1141 30.584 23.634 54.008 1.00 0.00 C ATOM 24517 C4* U B1141 29.436 23.326 55.056 1.00 0.00 C ATOM 24518 O4* U B1141 28.143 22.779 54.666 1.00 0.00 O ATOM 24519 C3* U B1141 29.680 22.739 56.447 1.00 0.00 C ATOM 24520 O3* U B1141 30.954 23.365 57.116 1.00 0.00 O ATOM 24521 C2* U B1141 28.271 22.715 57.041 1.00 0.00 C ATOM 24522 O2* U B1141 27.878 24.018 57.440 1.00 0.00 O ATOM 24523 C1* U B1141 27.430 22.354 55.819 1.00 0.00 C ATOM 24524 N1 U B1141 27.091 20.705 55.657 1.00 0.00 N ATOM 24525 C2 U B1141 26.032 20.215 56.376 1.00 0.00 C ATOM 24526 O2 U B1141 25.390 20.896 57.159 1.00 0.00 O ATOM 24527 N3 U B1141 25.727 18.886 56.159 1.00 0.00 N ATOM 24528 C4 U B1141 26.383 18.027 55.297 1.00 0.00 C ATOM 24529 O4 U B1141 26.017 16.855 55.184 1.00 0.00 O ATOM 24530 C5 U B1141 27.482 18.632 54.588 1.00 0.00 C ATOM 24531 C6 U B1141 27.800 19.927 54.783 1.00 0.00 C ATOM 24532 P A B1142 30.648 24.722 58.337 1.00 0.00 P ATOM 24533 O1P A B1142 29.564 24.118 59.149 1.00 0.00 O ATOM 24534 O2P A B1142 30.380 26.075 57.802 1.00 0.00 O ATOM 24535 O5* A B1142 32.244 24.816 59.236 1.00 0.00 O ATOM 24536 C5* A B1142 32.691 25.188 60.572 1.00 0.00 C ATOM 24537 C4* A B1142 32.566 23.846 61.446 1.00 0.00 C ATOM 24538 O4* A B1142 31.896 23.775 62.740 1.00 0.00 O ATOM 24539 C3* A B1142 32.008 22.653 60.675 1.00 0.00 C ATOM 24540 O3* A B1142 32.525 22.465 59.203 1.00 0.00 O ATOM 24541 C2* A B1142 31.854 21.602 61.775 1.00 0.00 C ATOM 24542 O2* A B1142 33.113 21.047 62.121 1.00 0.00 O ATOM 24543 C1* A B1142 31.406 22.462 62.958 1.00 0.00 C ATOM 24544 N9 A B1142 29.687 22.549 63.179 1.00 0.00 N ATOM 24545 C8 A B1142 28.937 22.102 64.247 1.00 0.00 C ATOM 24546 N7 A B1142 27.698 22.479 64.215 1.00 0.00 N ATOM 24547 C5 A B1142 27.604 23.232 63.055 1.00 0.00 C ATOM 24548 C6 A B1142 26.534 23.917 62.456 1.00 0.00 C ATOM 24549 N6 A B1142 25.299 23.953 62.967 1.00 0.00 N ATOM 24550 N1 A B1142 26.787 24.563 61.302 1.00 0.00 N ATOM 24551 C2 A B1142 28.016 24.523 60.797 1.00 0.00 C ATOM 24552 N3 A B1142 29.086 23.920 61.266 1.00 0.00 N ATOM 24553 C4 A B1142 28.811 23.280 62.419 1.00 0.00 C ATOM 24554 P A B1143 34.241 22.940 58.565 1.00 0.00 P ATOM 24555 O1P A B1143 34.656 21.781 57.742 1.00 0.00 O ATOM 24556 O2P A B1143 35.130 23.276 59.698 1.00 0.00 O ATOM 24557 O5* A B1143 34.043 24.223 57.633 1.00 0.00 O ATOM 24558 C5* A B1143 33.597 24.041 56.275 1.00 0.00 C ATOM 24559 C4* A B1143 33.362 25.386 55.621 1.00 0.00 C ATOM 24560 O4* A B1143 32.220 26.029 56.261 1.00 0.00 O ATOM 24561 C3* A B1143 34.488 26.409 55.770 1.00 0.00 C ATOM 24562 O3* A B1143 35.474 26.229 54.803 1.00 0.00 O ATOM 24563 C2* A B1143 33.744 27.732 55.613 1.00 0.00 C ATOM 24564 O2* A B1143 33.432 27.975 54.251 1.00 0.00 O ATOM 24565 C1* A B1143 32.426 27.431 56.321 1.00 0.00 C ATOM 24566 N9 A B1143 32.410 27.836 57.755 1.00 0.00 N ATOM 24567 C8 A B1143 32.483 27.047 58.881 1.00 0.00 C ATOM 24568 N7 A B1143 32.444 27.713 59.994 1.00 0.00 N ATOM 24569 C5 A B1143 32.337 29.036 59.589 1.00 0.00 C ATOM 24570 C6 A B1143 32.254 30.241 60.304 1.00 0.00 C ATOM 24571 N6 A B1143 32.262 30.307 61.642 1.00 0.00 N ATOM 24572 N1 A B1143 32.157 31.380 59.592 1.00 0.00 N ATOM 24573 C2 A B1143 32.149 31.305 58.261 1.00 0.00 C ATOM 24574 N3 A B1143 32.223 30.243 57.489 1.00 0.00 N ATOM 24575 C4 A B1143 32.318 29.119 58.225 1.00 0.00 C ATOM 24576 P A B1144 37.024 26.549 55.195 1.00 0.00 P ATOM 24577 O1P A B1144 37.940 25.956 54.189 1.00 0.00 O ATOM 24578 O2P A B1144 37.271 26.150 56.599 1.00 0.00 O ATOM 24579 O5* A B1144 37.044 28.144 55.071 1.00 0.00 O ATOM 24580 C5* A B1144 36.741 28.750 53.800 1.00 0.00 C ATOM 24581 C4* A B1144 36.691 30.258 53.945 1.00 0.00 C ATOM 24582 O4* A B1144 35.544 30.616 54.766 1.00 0.00 O ATOM 24583 C3* A B1144 37.877 30.893 54.671 1.00 0.00 C ATOM 24584 O3* A B1144 38.947 31.115 53.808 1.00 0.00 O ATOM 24585 C2* A B1144 37.269 32.192 55.199 1.00 0.00 C ATOM 24586 O2* A B1144 37.138 33.145 54.155 1.00 0.00 O ATOM 24587 C1* A B1144 35.859 31.742 55.566 1.00 0.00 C ATOM 24588 N9 A B1144 35.714 31.346 56.997 1.00 0.00 N ATOM 24589 C8 A B1144 35.594 30.087 57.537 1.00 0.00 C ATOM 24590 N7 A B1144 35.484 30.076 58.830 1.00 0.00 N ATOM 24591 C5 A B1144 35.534 31.417 59.181 1.00 0.00 C ATOM 24592 C6 A B1144 35.472 32.074 60.421 1.00 0.00 C ATOM 24593 N6 A B1144 35.333 31.436 61.591 1.00 0.00 N ATOM 24594 N1 A B1144 35.553 33.419 60.413 1.00 0.00 N ATOM 24595 C2 A B1144 35.690 34.047 59.246 1.00 0.00 C ATOM 24596 N3 A B1144 35.760 33.542 58.035 1.00 0.00 N ATOM 24597 C4 A B1144 35.677 32.196 58.071 1.00 0.00 C ATOM 24598 P C B1145 40.467 30.978 54.388 1.00 0.00 P ATOM 24599 O1P C B1145 41.437 30.879 53.274 1.00 0.00 O ATOM 24600 O2P C B1145 40.518 29.882 55.382 1.00 0.00 O ATOM 24601 O5* C B1145 40.635 32.387 55.129 1.00 0.00 O ATOM 24602 C5* C B1145 40.528 33.597 54.356 1.00 0.00 C ATOM 24603 C4* C B1145 40.590 34.803 55.271 1.00 0.00 C ATOM 24604 O4* C B1145 39.392 34.834 56.096 1.00 0.00 O ATOM 24605 C3* C B1145 41.735 34.810 56.285 1.00 0.00 C ATOM 24606 O3* C B1145 42.912 35.303 55.726 1.00 0.00 O ATOM 24607 C2* C B1145 41.183 35.714 57.385 1.00 0.00 C ATOM 24608 O2* C B1145 41.250 37.076 56.999 1.00 0.00 O ATOM 24609 C1* C B1145 39.707 35.325 57.389 1.00 0.00 C ATOM 24610 N1 C B1145 39.366 34.269 58.381 1.00 0.00 N ATOM 24611 C2 C B1145 39.325 34.630 59.726 1.00 0.00 C ATOM 24612 O2 C B1145 39.567 35.803 60.037 1.00 0.00 O ATOM 24613 N3 C B1145 39.017 33.681 60.648 1.00 0.00 N ATOM 24614 C4 C B1145 38.761 32.421 60.270 1.00 0.00 C ATOM 24615 N4 C B1145 38.466 31.532 61.207 1.00 0.00 N ATOM 24616 C5 C B1145 38.801 32.029 58.894 1.00 0.00 C ATOM 24617 C6 C B1145 39.106 32.992 57.987 1.00 0.00 C ATOM 24618 P C B1146 44.339 34.686 56.228 1.00 0.00 P ATOM 24619 O1P C B1146 45.414 35.054 55.282 1.00 0.00 O ATOM 24620 O2P C B1146 44.182 33.239 56.493 1.00 0.00 O ATOM 24621 O5* C B1146 44.536 35.472 57.608 1.00 0.00 O ATOM 24622 C5* C B1146 44.619 36.909 57.586 1.00 0.00 C ATOM 24623 C4* C B1146 44.681 37.445 59.002 1.00 0.00 C ATOM 24624 O4* C B1146 43.402 37.199 59.655 1.00 0.00 O ATOM 24625 C3* C B1146 45.700 36.774 59.927 1.00 0.00 C ATOM 24626 O3* C B1146 46.968 37.330 59.774 1.00 0.00 O ATOM 24627 C2* C B1146 45.103 37.040 61.307 1.00 0.00 C ATOM 24628 O2* C B1146 45.329 38.383 61.700 1.00 0.00 O ATOM 24629 C1* C B1146 43.609 36.908 61.026 1.00 0.00 C ATOM 24630 N1 C B1146 43.072 35.543 61.292 1.00 0.00 N ATOM 24631 C2 C B1146 42.907 35.155 62.619 1.00 0.00 C ATOM 24632 O2 C B1146 43.209 35.953 63.516 1.00 0.00 O ATOM 24633 N3 C B1146 42.418 33.918 62.883 1.00 0.00 N ATOM 24634 C4 C B1146 42.101 33.083 61.885 1.00 0.00 C ATOM 24635 N4 C B1146 41.627 31.886 62.194 1.00 0.00 N ATOM 24636 C5 C B1146 42.262 33.460 60.513 1.00 0.00 C ATOM 24637 C6 C B1146 42.752 34.701 60.272 1.00 0.00 C ATOM 24638 P A B1147 48.272 36.361 59.947 1.00 0.00 P ATOM 24639 O1P A B1147 49.477 37.021 59.397 1.00 0.00 O ATOM 24640 O2P A B1147 47.966 35.019 59.400 1.00 0.00 O ATOM 24641 O5* A B1147 48.379 36.283 61.542 1.00 0.00 O ATOM 24642 C5* A B1147 48.585 37.497 62.288 1.00 0.00 C ATOM 24643 C4* A B1147 48.526 37.209 63.776 1.00 0.00 C ATOM 24644 O4* A B1147 47.165 36.830 64.129 1.00 0.00 O ATOM 24645 C3* A B1147 49.373 36.028 64.258 1.00 0.00 C ATOM 24646 O3* A B1147 50.695 36.409 64.487 1.00 0.00 O ATOM 24647 C2* A B1147 48.648 35.617 65.535 1.00 0.00 C ATOM 24648 O2* A B1147 48.939 36.517 66.592 1.00 0.00 O ATOM 24649 C1* A B1147 47.190 35.842 65.148 1.00 0.00 C ATOM 24650 N9 A B1147 46.516 34.624 64.626 1.00 0.00 N ATOM 24651 C8 A B1147 46.166 34.314 63.328 1.00 0.00 C ATOM 24652 N7 A B1147 45.581 33.161 63.202 1.00 0.00 N ATOM 24653 C5 A B1147 45.535 32.665 64.497 1.00 0.00 C ATOM 24654 C6 A B1147 45.033 31.467 65.035 1.00 0.00 C ATOM 24655 N6 A B1147 44.452 30.511 64.296 1.00 0.00 N ATOM 24656 N1 A B1147 45.149 31.289 66.362 1.00 0.00 N ATOM 24657 C2 A B1147 45.726 32.243 67.091 1.00 0.00 C ATOM 24658 N3 A B1147 46.229 33.395 66.702 1.00 0.00 N ATOM 24659 C4 A B1147 46.101 33.548 65.368 1.00 0.00 C ATOM 24660 P U B1148 51.883 35.330 64.190 1.00 0.00 P ATOM 24661 O1P U B1148 53.195 36.014 64.138 1.00 0.00 O ATOM 24662 O2P U B1148 51.531 34.520 63.004 1.00 0.00 O ATOM 24663 O5* U B1148 51.800 34.424 65.508 1.00 0.00 O ATOM 24664 C5* U B1148 52.021 35.036 66.793 1.00 0.00 C ATOM 24665 C4* U B1148 51.772 34.027 67.897 1.00 0.00 C ATOM 24666 O4* U B1148 50.354 33.704 67.926 1.00 0.00 O ATOM 24667 C3* U B1148 52.457 32.671 67.727 1.00 0.00 C ATOM 24668 O3* U B1148 53.771 32.700 68.192 1.00 0.00 O ATOM 24669 C2* U B1148 51.560 31.755 68.555 1.00 0.00 C ATOM 24670 O2* U B1148 51.801 31.931 69.940 1.00 0.00 O ATOM 24671 C1* U B1148 50.178 32.338 68.270 1.00 0.00 C ATOM 24672 N1 U B1148 49.467 31.667 67.147 1.00 0.00 N ATOM 24673 C2 U B1148 48.949 30.418 67.388 1.00 0.00 C ATOM 24674 O2 U B1148 49.050 29.858 68.468 1.00 0.00 O ATOM 24675 N3 U B1148 48.294 29.830 66.326 1.00 0.00 N ATOM 24676 C4 U B1148 48.120 30.371 65.068 1.00 0.00 C ATOM 24677 O4 U B1148 47.515 29.747 64.194 1.00 0.00 O ATOM 24678 C5 U B1148 48.700 31.686 64.909 1.00 0.00 C ATOM 24679 C6 U B1148 49.339 32.282 65.927 1.00 0.00 C ATOM 24680 P G B1149 54.889 31.785 67.433 1.00 0.00 P ATOM 24681 O1P G B1149 56.252 32.221 67.819 1.00 0.00 O ATOM 24682 O2P G B1149 54.609 31.766 65.982 1.00 0.00 O ATOM 24683 O5* G B1149 54.581 30.349 68.066 1.00 0.00 O ATOM 24684 C5* G B1149 54.706 30.171 69.490 1.00 0.00 C ATOM 24685 C4* G B1149 54.252 28.779 69.882 1.00 0.00 C ATOM 24686 O4* G B1149 52.814 28.676 69.660 1.00 0.00 O ATOM 24687 C3* G B1149 54.832 27.630 69.059 1.00 0.00 C ATOM 24688 O3* G B1149 56.081 27.243 69.535 1.00 0.00 O ATOM 24689 C2* G B1149 53.772 26.545 69.228 1.00 0.00 C ATOM 24690 O2* G B1149 53.870 25.943 70.506 1.00 0.00 O ATOM 24691 C1* G B1149 52.487 27.368 69.223 1.00 0.00 C ATOM 24692 N9 G B1149 51.853 27.475 67.879 1.00 0.00 N ATOM 24693 C8 G B1149 51.814 28.552 67.018 1.00 0.00 C ATOM 24694 N7 G B1149 51.168 28.320 65.902 1.00 0.00 N ATOM 24695 C5 G B1149 50.752 26.997 66.027 1.00 0.00 C ATOM 24696 C6 G B1149 50.009 26.181 65.134 1.00 0.00 C ATOM 24697 O6 G B1149 49.556 26.466 64.028 1.00 0.00 O ATOM 24698 N1 G B1149 49.807 24.898 65.660 1.00 0.00 N ATOM 24699 C2 G B1149 50.262 24.457 66.888 1.00 0.00 C ATOM 24700 N2 G B1149 49.966 23.197 67.206 1.00 0.00 N ATOM 24701 N3 G B1149 50.960 25.223 67.725 1.00 0.00 N ATOM 24702 C4 G B1149 51.166 26.472 67.232 1.00 0.00 C ATOM 24703 P C B1150 57.080 25.574 69.187 1.00 0.00 P ATOM 24704 O1P C B1150 58.013 25.115 70.239 1.00 0.00 O ATOM 24705 O2P C B1150 57.704 26.103 67.953 1.00 0.00 O ATOM 24706 O5* C B1150 56.061 24.397 68.815 1.00 0.00 O ATOM 24707 C5* C B1150 55.273 23.798 69.863 1.00 0.00 C ATOM 24708 C4* C B1150 54.296 22.801 69.270 1.00 0.00 C ATOM 24709 O4* C B1150 53.305 23.525 68.485 1.00 0.00 O ATOM 24710 C3* C B1150 54.888 21.798 68.283 1.00 0.00 C ATOM 24711 O3* C B1150 55.445 20.703 68.939 1.00 0.00 O ATOM 24712 C2* C B1150 53.668 21.420 67.441 1.00 0.00 C ATOM 24713 O2* C B1150 52.825 20.532 68.153 1.00 0.00 O ATOM 24714 C1* C B1150 52.935 22.755 67.354 1.00 0.00 C ATOM 24715 N1 C B1150 53.266 23.542 66.131 1.00 0.00 N ATOM 24716 C2 C B1150 52.737 23.113 64.917 1.00 0.00 C ATOM 24717 O2 C B1150 52.018 22.108 64.905 1.00 0.00 O ATOM 24718 N3 C B1150 53.029 23.816 63.793 1.00 0.00 N ATOM 24719 C4 C B1150 53.812 24.901 63.853 1.00 0.00 C ATOM 24720 N4 C B1150 54.065 25.552 62.728 1.00 0.00 N ATOM 24721 C5 C B1150 54.369 25.359 65.090 1.00 0.00 C ATOM 24722 C6 C B1150 54.065 24.641 66.203 1.00 0.00 C ATOM 24723 P A B1151 55.593 18.672 68.395 1.00 0.00 P ATOM 24724 O1P A B1151 55.668 17.762 69.562 1.00 0.00 O ATOM 24725 O2P A B1151 56.793 19.504 68.151 1.00 0.00 O ATOM 24726 O5* A B1151 55.238 17.833 67.077 1.00 0.00 O ATOM 24727 C5* A B1151 54.052 17.022 67.065 1.00 0.00 C ATOM 24728 C4* A B1151 53.847 16.421 65.692 1.00 0.00 C ATOM 24729 O4* A B1151 53.523 17.490 64.753 1.00 0.00 O ATOM 24730 C3* A B1151 55.070 15.746 65.069 1.00 0.00 C ATOM 24731 O3* A B1151 55.205 14.431 65.506 1.00 0.00 O ATOM 24732 C2* A B1151 54.762 15.840 63.576 1.00 0.00 C ATOM 24733 O2* A B1151 53.791 14.881 63.199 1.00 0.00 O ATOM 24734 C1* A B1151 54.092 17.207 63.486 1.00 0.00 C ATOM 24735 N9 A B1151 55.028 18.316 63.147 1.00 0.00 N ATOM 24736 C8 A B1151 55.535 19.303 63.959 1.00 0.00 C ATOM 24737 N7 A B1151 56.336 20.126 63.355 1.00 0.00 N ATOM 24738 C5 A B1151 56.371 19.658 62.047 1.00 0.00 C ATOM 24739 C6 A B1151 57.048 20.102 60.900 1.00 0.00 C ATOM 24740 N6 A B1151 57.860 21.170 60.888 1.00 0.00 N ATOM 24741 N1 A B1151 56.860 19.409 59.764 1.00 0.00 N ATOM 24742 C2 A B1151 56.055 18.348 59.784 1.00 0.00 C ATOM 24743 N3 A B1151 55.372 17.842 60.789 1.00 0.00 N ATOM 24744 C4 A B1151 55.578 18.555 61.913 1.00 0.00 C ATOM 24745 P C B1152 56.708 13.816 65.689 1.00 0.00 P ATOM 24746 O1P C B1152 56.656 12.574 66.492 1.00 0.00 O ATOM 24747 O2P C B1152 57.612 14.872 66.193 1.00 0.00 O ATOM 24748 O5* C B1152 57.075 13.465 64.172 1.00 0.00 O ATOM 24749 C5* C B1152 56.260 12.520 63.455 1.00 0.00 C ATOM 24750 C4* C B1152 56.711 12.432 62.013 1.00 0.00 C ATOM 24751 O4* C B1152 56.411 13.695 61.349 1.00 0.00 O ATOM 24752 C3* C B1152 58.212 12.250 61.795 1.00 0.00 C ATOM 24753 O3* C B1152 58.582 10.910 61.882 1.00 0.00 O ATOM 24754 C2* C B1152 58.403 12.826 60.393 1.00 0.00 C ATOM 24755 O2* C B1152 57.946 11.913 59.410 1.00 0.00 O ATOM 24756 C1* C B1152 57.425 13.995 60.402 1.00 0.00 C ATOM 24757 N1 C B1152 58.048 15.291 60.787 1.00 0.00 N ATOM 24758 C2 C B1152 58.864 15.924 59.854 1.00 0.00 C ATOM 24759 O2 C B1152 59.037 15.384 58.755 1.00 0.00 O ATOM 24760 N3 C B1152 59.441 17.107 60.189 1.00 0.00 N ATOM 24761 C4 C B1152 59.229 17.657 61.390 1.00 0.00 C ATOM 24762 N4 C B1152 59.813 18.811 61.664 1.00 0.00 N ATOM 24763 C5 C B1152 58.389 17.024 62.363 1.00 0.00 C ATOM 24764 C6 C B1152 57.825 15.842 62.011 1.00 0.00 C ATOM 24765 P C B1153 60.050 10.537 62.496 1.00 0.00 P ATOM 24766 O1P C B1153 60.107 9.099 62.842 1.00 0.00 O ATOM 24767 O2P C B1153 60.376 11.479 63.589 1.00 0.00 O ATOM 24768 O5* C B1153 60.987 10.825 61.231 1.00 0.00 O ATOM 24769 C5* C B1153 60.775 10.080 60.019 1.00 0.00 C ATOM 24770 C4* C B1153 61.682 10.601 58.923 1.00 0.00 C ATOM 24771 O4* C B1153 61.259 11.945 58.558 1.00 0.00 O ATOM 24772 C3* C B1153 63.155 10.770 59.302 1.00 0.00 C ATOM 24773 O3* C B1153 63.857 9.572 59.172 1.00 0.00 O ATOM 24774 C2* C B1153 63.619 11.836 58.314 1.00 0.00 C ATOM 24775 O2* C B1153 63.809 11.279 57.024 1.00 0.00 O ATOM 24776 C1* C B1153 62.392 12.737 58.231 1.00 0.00 C ATOM 24777 N1 C B1153 62.433 13.891 59.170 1.00 0.00 N ATOM 24778 C2 C B1153 63.285 14.948 58.863 1.00 0.00 C ATOM 24779 O2 C B1153 63.964 14.883 57.834 1.00 0.00 O ATOM 24780 N3 C B1153 63.337 16.013 59.706 1.00 0.00 N ATOM 24781 C4 C B1153 62.583 16.043 60.813 1.00 0.00 C ATOM 24782 N4 C B1153 62.669 17.104 61.601 1.00 0.00 N ATOM 24783 C5 C B1153 61.700 14.967 61.147 1.00 0.00 C ATOM 24784 C6 C B1153 61.661 13.915 60.293 1.00 0.00 C ATOM 24785 P G B1154 63.959 8.264 57.879 1.00 0.00 P ATOM 24786 O1P G B1154 65.183 7.475 58.137 1.00 0.00 O ATOM 24787 O2P G B1154 63.798 8.768 56.496 1.00 0.00 O ATOM 24788 O5* G B1154 62.507 7.300 58.441 1.00 0.00 O ATOM 24789 C5* G B1154 62.204 5.895 58.214 1.00 0.00 C ATOM 24790 C4* G B1154 61.533 5.611 56.770 1.00 0.00 C ATOM 24791 O4* G B1154 62.259 5.274 55.557 1.00 0.00 O ATOM 24792 C3* G B1154 60.096 5.168 56.474 1.00 0.00 C ATOM 24793 O3* G B1154 58.967 4.893 57.450 1.00 0.00 O ATOM 24794 C2* G B1154 59.964 5.487 54.986 1.00 0.00 C ATOM 24795 O2* G B1154 59.786 6.883 54.795 1.00 0.00 O ATOM 24796 C1* G B1154 61.356 5.142 54.470 1.00 0.00 C ATOM 24797 N9 G B1154 61.509 3.544 53.827 1.00 0.00 N ATOM 24798 C8 G B1154 62.362 2.530 54.207 1.00 0.00 C ATOM 24799 N7 G B1154 62.176 1.407 53.557 1.00 0.00 N ATOM 24800 C5 G B1154 61.132 1.697 52.681 1.00 0.00 C ATOM 24801 C6 G B1154 60.489 0.875 51.717 1.00 0.00 C ATOM 24802 O6 G B1154 60.715 -0.296 51.434 1.00 0.00 O ATOM 24803 N1 G B1154 59.472 1.570 51.049 1.00 0.00 N ATOM 24804 C2 G B1154 59.121 2.887 51.277 1.00 0.00 C ATOM 24805 N2 G B1154 58.124 3.366 50.533 1.00 0.00 N ATOM 24806 N3 G B1154 59.725 3.656 52.179 1.00 0.00 N ATOM 24807 C4 G B1154 60.712 2.998 52.840 1.00 0.00 C ATOM 24808 P A B1155 58.136 3.275 57.212 1.00 0.00 P ATOM 24809 O1P A B1155 59.098 2.167 57.007 1.00 0.00 O ATOM 24810 O2P A B1155 57.035 3.358 56.230 1.00 0.00 O ATOM 24811 O5* A B1155 57.493 3.301 58.910 1.00 0.00 O ATOM 24812 C5* A B1155 56.950 3.779 60.133 1.00 0.00 C ATOM 24813 C4* A B1155 58.097 4.383 61.089 1.00 0.00 C ATOM 24814 O4* A B1155 57.698 5.192 62.233 1.00 0.00 O ATOM 24815 C3* A B1155 59.301 3.598 61.595 1.00 0.00 C ATOM 24816 O3* A B1155 60.428 3.324 60.588 1.00 0.00 O ATOM 24817 C2* A B1155 59.981 4.611 62.512 1.00 0.00 C ATOM 24818 O2* A B1155 60.682 5.583 61.752 1.00 0.00 O ATOM 24819 C1* A B1155 58.783 5.316 63.138 1.00 0.00 C ATOM 24820 N9 A B1155 58.302 4.691 64.632 1.00 0.00 N ATOM 24821 C8 A B1155 57.025 4.535 65.120 1.00 0.00 C ATOM 24822 N7 A B1155 56.963 3.865 66.231 1.00 0.00 N ATOM 24823 C5 A B1155 58.285 3.548 66.502 1.00 0.00 C ATOM 24824 C6 A B1155 58.887 2.836 67.552 1.00 0.00 C ATOM 24825 N6 A B1155 58.208 2.292 68.568 1.00 0.00 N ATOM 24826 N1 A B1155 60.230 2.705 67.519 1.00 0.00 N ATOM 24827 C2 A B1155 60.903 3.247 66.508 1.00 0.00 C ATOM 24828 N3 A B1155 60.448 3.926 65.477 1.00 0.00 N ATOM 24829 C4 A B1155 59.105 4.045 65.533 1.00 0.00 C ATOM 24830 P A B1156 62.088 2.797 61.315 1.00 0.00 P ATOM 24831 O1P A B1156 62.618 2.265 60.038 1.00 0.00 O ATOM 24832 O2P A B1156 62.004 1.828 62.431 1.00 0.00 O ATOM 24833 O5* A B1156 62.940 4.073 61.767 1.00 0.00 O ATOM 24834 C5* A B1156 63.947 4.590 60.879 1.00 0.00 C ATOM 24835 C4* A B1156 64.535 5.864 61.449 1.00 0.00 C ATOM 24836 O4* A B1156 63.517 6.903 61.434 1.00 0.00 O ATOM 24837 C3* A B1156 64.974 5.799 62.914 1.00 0.00 C ATOM 24838 O3* A B1156 66.253 5.271 63.045 1.00 0.00 O ATOM 24839 C2* A B1156 64.893 7.263 63.337 1.00 0.00 C ATOM 24840 O2* A B1156 65.998 7.993 62.833 1.00 0.00 O ATOM 24841 C1* A B1156 63.661 7.740 62.567 1.00 0.00 C ATOM 24842 N9 A B1156 62.401 7.666 63.360 1.00 0.00 N ATOM 24843 C8 A B1156 61.362 6.770 63.250 1.00 0.00 C ATOM 24844 N7 A B1156 60.397 6.977 64.094 1.00 0.00 N ATOM 24845 C5 A B1156 60.814 8.081 64.818 1.00 0.00 C ATOM 24846 C6 A B1156 60.232 8.802 65.872 1.00 0.00 C ATOM 24847 N6 A B1156 59.038 8.498 66.401 1.00 0.00 N ATOM 24848 N1 A B1156 60.916 9.851 66.361 1.00 0.00 N ATOM 24849 C2 A B1156 62.102 10.149 65.829 1.00 0.00 C ATOM 24850 N3 A B1156 62.746 9.553 64.848 1.00 0.00 N ATOM 24851 C4 A B1156 62.036 8.506 64.376 1.00 0.00 C ATOM 24852 P G B1157 66.603 4.367 64.359 1.00 0.00 P ATOM 24853 O1P G B1157 67.854 3.608 64.142 1.00 0.00 O ATOM 24854 O2P G B1157 65.418 3.563 64.731 1.00 0.00 O ATOM 24855 O5* G B1157 66.845 5.509 65.452 1.00 0.00 O ATOM 24856 C5* G B1157 67.900 6.466 65.241 1.00 0.00 C ATOM 24857 C4* G B1157 67.867 7.524 66.326 1.00 0.00 C ATOM 24858 O4* G B1157 66.659 8.324 66.172 1.00 0.00 O ATOM 24859 C3* G B1157 67.781 7.001 67.759 1.00 0.00 C ATOM 24860 O3* G B1157 69.038 6.671 68.262 1.00 0.00 O ATOM 24861 C2* G B1157 67.145 8.181 68.493 1.00 0.00 C ATOM 24862 O2* G B1157 68.097 9.207 68.712 1.00 0.00 O ATOM 24863 C1* G B1157 66.164 8.700 67.445 1.00 0.00 C ATOM 24864 N9 G B1157 64.789 8.149 67.588 1.00 0.00 N ATOM 24865 C8 G B1157 64.148 7.198 66.817 1.00 0.00 C ATOM 24866 N7 G B1157 62.926 6.929 67.213 1.00 0.00 N ATOM 24867 C5 G B1157 62.746 7.757 68.320 1.00 0.00 C ATOM 24868 C6 G B1157 61.622 7.910 69.172 1.00 0.00 C ATOM 24869 O6 G B1157 60.535 7.339 69.121 1.00 0.00 O ATOM 24870 N1 G B1157 61.866 8.859 70.174 1.00 0.00 N ATOM 24871 C2 G B1157 63.043 9.564 70.337 1.00 0.00 C ATOM 24872 N2 G B1157 63.075 10.422 71.358 1.00 0.00 N ATOM 24873 N3 G B1157 64.098 9.417 69.537 1.00 0.00 N ATOM 24874 C4 G B1157 63.877 8.503 68.557 1.00 0.00 C ATOM 24875 P C B1158 69.165 5.418 69.302 1.00 0.00 P ATOM 24876 O1P C B1158 70.580 4.999 69.428 1.00 0.00 O ATOM 24877 O2P C B1158 68.208 4.358 68.916 1.00 0.00 O ATOM 24878 O5* C B1158 68.684 6.110 70.664 1.00 0.00 O ATOM 24879 C5* C B1158 69.424 7.232 71.177 1.00 0.00 C ATOM 24880 C4* C B1158 68.723 7.804 72.396 1.00 0.00 C ATOM 24881 O4* C B1158 67.463 8.405 71.974 1.00 0.00 O ATOM 24882 C3* C B1158 68.311 6.792 73.461 1.00 0.00 C ATOM 24883 O3* C B1158 69.362 6.504 74.330 1.00 0.00 O ATOM 24884 C2* C B1158 67.155 7.508 74.152 1.00 0.00 C ATOM 24885 O2* C B1158 67.638 8.522 75.017 1.00 0.00 O ATOM 24886 C1* C B1158 66.481 8.209 72.978 1.00 0.00 C ATOM 24887 N1 C B1158 65.359 7.432 72.379 1.00 0.00 N ATOM 24888 C2 C B1158 64.164 7.367 73.087 1.00 0.00 C ATOM 24889 O2 C B1158 64.083 7.952 74.174 1.00 0.00 O ATOM 24890 N3 C B1158 63.129 6.663 72.560 1.00 0.00 N ATOM 24891 C4 C B1158 63.259 6.044 71.379 1.00 0.00 C ATOM 24892 N4 C B1158 62.220 5.371 70.906 1.00 0.00 N ATOM 24893 C5 C B1158 64.481 6.098 70.634 1.00 0.00 C ATOM 24894 C6 C B1158 65.502 6.805 71.181 1.00 0.00 C ATOM 24895 P U B1159 69.485 4.997 74.945 1.00 0.00 P ATOM 24896 O1P U B1159 70.829 4.789 75.526 1.00 0.00 O ATOM 24897 O2P U B1159 69.067 4.012 73.923 1.00 0.00 O ATOM 24898 O5* U B1159 68.394 5.064 76.114 1.00 0.00 O ATOM 24899 C5* U B1159 68.561 6.025 77.172 1.00 0.00 C ATOM 24900 C4* U B1159 67.357 5.998 78.094 1.00 0.00 C ATOM 24901 O4* U B1159 66.196 6.500 77.370 1.00 0.00 O ATOM 24902 C3* U B1159 66.920 4.615 78.574 1.00 0.00 C ATOM 24903 O3* U B1159 67.650 4.205 79.686 1.00 0.00 O ATOM 24904 C2* U B1159 65.441 4.836 78.890 1.00 0.00 C ATOM 24905 O2* U B1159 65.291 5.531 80.115 1.00 0.00 O ATOM 24906 C1* U B1159 65.034 5.802 77.780 1.00 0.00 C ATOM 24907 N1 U B1159 64.455 5.129 76.583 1.00 0.00 N ATOM 24908 C2 U B1159 63.181 4.634 76.702 1.00 0.00 C ATOM 24909 O2 U B1159 62.521 4.728 77.723 1.00 0.00 O ATOM 24910 N3 U B1159 62.678 4.015 75.570 1.00 0.00 N ATOM 24911 C4 U B1159 63.331 3.857 74.367 1.00 0.00 C ATOM 24912 O4 U B1159 62.778 3.285 73.425 1.00 0.00 O ATOM 24913 C5 U B1159 64.664 4.407 74.342 1.00 0.00 C ATOM 24914 C6 U B1159 65.178 5.012 75.424 1.00 0.00 C ATOM 24915 P G B1160 68.553 2.322 79.662 1.00 0.00 P ATOM 24916 O1P G B1160 69.503 1.966 80.741 1.00 0.00 O ATOM 24917 O2P G B1160 69.078 2.224 78.282 1.00 0.00 O ATOM 24918 O5* G B1160 67.228 1.438 79.800 1.00 0.00 O ATOM 24919 C5* G B1160 66.499 1.458 81.042 1.00 0.00 C ATOM 24920 C4* G B1160 65.223 0.654 80.907 1.00 0.00 C ATOM 24921 O4* G B1160 64.326 1.346 79.991 1.00 0.00 O ATOM 24922 C3* G B1160 65.369 -0.740 80.297 1.00 0.00 C ATOM 24923 O3* G B1160 65.737 -1.681 81.256 1.00 0.00 O ATOM 24924 C2* G B1160 63.973 -0.992 79.730 1.00 0.00 C ATOM 24925 O2* G B1160 63.062 -1.322 80.763 1.00 0.00 O ATOM 24926 C1* G B1160 63.593 0.399 79.229 1.00 0.00 C ATOM 24927 N9 G B1160 63.904 0.624 77.789 1.00 0.00 N ATOM 24928 C8 G B1160 64.914 1.376 77.224 1.00 0.00 C ATOM 24929 N7 G B1160 64.912 1.369 75.912 1.00 0.00 N ATOM 24930 C5 G B1160 63.830 0.553 75.587 1.00 0.00 C ATOM 24931 C6 G B1160 63.327 0.166 74.318 1.00 0.00 C ATOM 24932 O6 G B1160 63.740 0.471 73.201 1.00 0.00 O ATOM 24933 N1 G B1160 62.210 -0.670 74.443 1.00 0.00 N ATOM 24934 C2 G B1160 61.651 -1.081 75.637 1.00 0.00 C ATOM 24935 N2 G B1160 60.585 -1.883 75.546 1.00 0.00 N ATOM 24936 N3 G B1160 62.123 -0.718 76.826 1.00 0.00 N ATOM 24937 C4 G B1160 63.210 0.095 76.725 1.00 0.00 C ATOM 24938 P C B1161 66.710 -2.913 80.813 1.00 0.00 P ATOM 24939 O1P C B1161 67.276 -3.577 82.009 1.00 0.00 O ATOM 24940 O2P C B1161 67.695 -2.431 79.817 1.00 0.00 O ATOM 24941 O5* C B1161 65.657 -3.887 80.102 1.00 0.00 O ATOM 24942 C5* C B1161 64.553 -4.402 80.872 1.00 0.00 C ATOM 24943 C4* C B1161 63.621 -5.190 79.977 1.00 0.00 C ATOM 24944 O4* C B1161 62.974 -4.278 79.047 1.00 0.00 O ATOM 24945 C3* C B1161 64.286 -6.227 79.069 1.00 0.00 C ATOM 24946 O3* C B1161 64.495 -7.435 79.737 1.00 0.00 O ATOM 24947 C2* C B1161 63.274 -6.353 77.933 1.00 0.00 C ATOM 24948 O2* C B1161 62.158 -7.128 78.334 1.00 0.00 O ATOM 24949 C1* C B1161 62.789 -4.916 77.793 1.00 0.00 C ATOM 24950 N1 C B1161 63.527 -4.131 76.765 1.00 0.00 N ATOM 24951 C2 C B1161 63.259 -4.401 75.426 1.00 0.00 C ATOM 24952 O2 C B1161 62.427 -5.272 75.147 1.00 0.00 O ATOM 24953 N3 C B1161 63.923 -3.697 74.472 1.00 0.00 N ATOM 24954 C4 C B1161 64.817 -2.761 74.815 1.00 0.00 C ATOM 24955 N4 C B1161 65.436 -2.101 73.846 1.00 0.00 N ATOM 24956 C5 C B1161 65.106 -2.467 76.186 1.00 0.00 C ATOM 24957 C6 C B1161 64.434 -3.182 77.122 1.00 0.00 C ATOM 24958 P G B1162 65.814 -8.319 79.362 1.00 0.00 P ATOM 24959 O1P G B1162 66.058 -9.342 80.404 1.00 0.00 O ATOM 24960 O2P G B1162 66.949 -7.413 79.071 1.00 0.00 O ATOM 24961 O5* G B1162 65.326 -9.028 78.012 1.00 0.00 O ATOM 24962 C5* G B1162 64.172 -9.888 78.053 1.00 0.00 C ATOM 24963 C4* G B1162 63.817 -10.345 76.652 1.00 0.00 C ATOM 24964 O4* G B1162 63.347 -9.197 75.886 1.00 0.00 O ATOM 24965 C3* G B1162 64.976 -10.895 75.818 1.00 0.00 C ATOM 24966 O3* G B1162 65.204 -12.244 76.089 1.00 0.00 O ATOM 24967 C2* G B1162 64.485 -10.655 74.391 1.00 0.00 C ATOM 24968 O2* G B1162 63.504 -11.613 74.030 1.00 0.00 O ATOM 24969 C1* G B1162 63.763 -9.319 74.536 1.00 0.00 C ATOM 24970 N9 G B1162 64.620 -8.142 74.211 1.00 0.00 N ATOM 24971 C8 G B1162 65.194 -7.222 75.062 1.00 0.00 C ATOM 24972 N7 G B1162 65.896 -6.296 74.452 1.00 0.00 N ATOM 24973 C5 G B1162 65.780 -6.628 73.102 1.00 0.00 C ATOM 24974 C6 G B1162 66.324 -5.997 71.955 1.00 0.00 C ATOM 24975 O6 G B1162 67.034 -4.995 71.891 1.00 0.00 O ATOM 24976 N1 G B1162 65.959 -6.663 70.778 1.00 0.00 N ATOM 24977 C2 G B1162 65.169 -7.797 70.719 1.00 0.00 C ATOM 24978 N2 G B1162 64.933 -8.282 69.498 1.00 0.00 N ATOM 24979 N3 G B1162 64.658 -8.389 71.794 1.00 0.00 N ATOM 24980 C4 G B1162 65.003 -7.753 72.945 1.00 0.00 C ATOM 24981 P G B1163 66.736 -12.806 76.025 1.00 0.00 P ATOM 24982 O1P G B1163 66.820 -14.127 76.687 1.00 0.00 O ATOM 24983 O2P G B1163 67.663 -11.772 76.532 1.00 0.00 O ATOM 24984 O5* G B1163 66.925 -12.980 74.445 1.00 0.00 O ATOM 24985 C5* G B1163 66.055 -13.879 73.732 1.00 0.00 C ATOM 24986 C4* G B1163 66.329 -13.792 72.244 1.00 0.00 C ATOM 24987 O4* G B1163 65.914 -12.481 71.765 1.00 0.00 O ATOM 24988 C3* G B1163 67.797 -13.883 71.829 1.00 0.00 C ATOM 24989 O3* G B1163 68.217 -15.209 71.724 1.00 0.00 O ATOM 24990 C2* G B1163 67.798 -13.157 70.488 1.00 0.00 C ATOM 24991 O2* G B1163 67.252 -13.978 69.470 1.00 0.00 O ATOM 24992 C1* G B1163 66.793 -12.038 70.744 1.00 0.00 C ATOM 24993 N9 G B1163 67.417 -10.764 71.193 1.00 0.00 N ATOM 24994 C8 G B1163 67.432 -10.197 72.448 1.00 0.00 C ATOM 24995 N7 G B1163 68.074 -9.056 72.512 1.00 0.00 N ATOM 24996 C5 G B1163 68.519 -8.851 71.205 1.00 0.00 C ATOM 24997 C6 G B1163 69.273 -7.785 70.652 1.00 0.00 C ATOM 24998 O6 G B1163 69.712 -6.782 71.209 1.00 0.00 O ATOM 24999 N1 G B1163 69.503 -7.976 69.283 1.00 0.00 N ATOM 25000 C2 G B1163 69.064 -9.061 68.546 1.00 0.00 C ATOM 25001 N2 G B1163 69.387 -9.060 67.251 1.00 0.00 N ATOM 25002 N3 G B1163 68.357 -10.060 69.067 1.00 0.00 N ATOM 25003 C4 G B1163 68.124 -9.888 70.393 1.00 0.00 C ATOM 25004 P C B1164 68.309 -17.202 70.210 1.00 0.00 P ATOM 25005 O1P C B1164 67.045 -16.511 69.869 1.00 0.00 O ATOM 25006 O2P C B1164 68.915 -16.833 71.508 1.00 0.00 O ATOM 25007 O5* C B1164 69.376 -16.990 69.036 1.00 0.00 O ATOM 25008 C5* C B1164 69.263 -17.788 67.841 1.00 0.00 C ATOM 25009 C4* C B1164 70.291 -17.335 66.820 1.00 0.00 C ATOM 25010 O4* C B1164 69.939 -16.000 66.357 1.00 0.00 O ATOM 25011 C3* C B1164 71.720 -17.183 67.337 1.00 0.00 C ATOM 25012 O3* C B1164 72.400 -18.399 67.327 1.00 0.00 O ATOM 25013 C2* C B1164 72.311 -16.174 66.354 1.00 0.00 C ATOM 25014 O2* C B1164 72.611 -16.791 65.116 1.00 0.00 O ATOM 25015 C1* C B1164 71.120 -15.250 66.113 1.00 0.00 C ATOM 25016 N1 C B1164 71.098 -14.055 67.000 1.00 0.00 N ATOM 25017 C2 C B1164 72.005 -13.032 66.733 1.00 0.00 C ATOM 25018 O2 C B1164 72.784 -13.159 65.781 1.00 0.00 O ATOM 25019 N3 C B1164 72.003 -11.935 67.531 1.00 0.00 N ATOM 25020 C4 C B1164 71.145 -11.835 68.554 1.00 0.00 C ATOM 25021 N4 C B1164 71.183 -10.743 69.303 1.00 0.00 N ATOM 25022 C5 C B1164 70.203 -12.875 68.847 1.00 0.00 C ATOM 25023 C6 C B1164 70.224 -13.964 68.037 1.00 0.00 C ATOM 25024 P A B1165 73.502 -18.691 68.497 1.00 0.00 P ATOM 25025 O1P A B1165 73.835 -20.133 68.539 1.00 0.00 O ATOM 25026 O2P A B1165 73.037 -18.102 69.771 1.00 0.00 O ATOM 25027 O5* A B1165 74.754 -17.864 67.943 1.00 0.00 O ATOM 25028 C5* A B1165 75.313 -18.215 66.662 1.00 0.00 C ATOM 25029 C4* A B1165 76.400 -17.228 66.282 1.00 0.00 C ATOM 25030 O4* A B1165 75.790 -15.931 66.030 1.00 0.00 O ATOM 25031 C3* A B1165 77.446 -16.943 67.361 1.00 0.00 C ATOM 25032 O3* A B1165 78.459 -17.899 67.358 1.00 0.00 O ATOM 25033 C2* A B1165 77.945 -15.555 66.961 1.00 0.00 C ATOM 25034 O2* A B1165 78.820 -15.638 65.848 1.00 0.00 O ATOM 25035 C1* A B1165 76.661 -14.898 66.463 1.00 0.00 C ATOM 25036 N9 A B1165 75.952 -14.108 67.507 1.00 0.00 N ATOM 25037 C8 A B1165 74.798 -14.414 68.192 1.00 0.00 C ATOM 25038 N7 A B1165 74.436 -13.507 69.048 1.00 0.00 N ATOM 25039 C5 A B1165 75.409 -12.525 68.927 1.00 0.00 C ATOM 25040 C6 A B1165 75.593 -11.292 69.569 1.00 0.00 C ATOM 25041 N6 A B1165 74.762 -10.814 70.507 1.00 0.00 N ATOM 25042 N1 A B1165 76.668 -10.564 69.213 1.00 0.00 N ATOM 25043 C2 A B1165 77.489 -11.041 68.283 1.00 0.00 C ATOM 25044 N3 A B1165 77.419 -12.174 67.618 1.00 0.00 N ATOM 25045 C4 A B1165 76.335 -12.886 67.992 1.00 0.00 C ATOM 25046 P G B1166 79.149 -18.312 68.780 1.00 0.00 P ATOM 25047 O1P G B1166 79.917 -19.567 68.629 1.00 0.00 O ATOM 25048 O2P G B1166 78.127 -18.300 69.847 1.00 0.00 O ATOM 25049 O5* G B1166 80.159 -17.087 68.988 1.00 0.00 O ATOM 25050 C5* G B1166 81.188 -16.852 68.008 1.00 0.00 C ATOM 25051 C4* G B1166 81.939 -15.578 68.337 1.00 0.00 C ATOM 25052 O4* G B1166 81.045 -14.443 68.153 1.00 0.00 O ATOM 25053 C3* G B1166 82.414 -15.442 69.784 1.00 0.00 C ATOM 25054 O3* G B1166 83.634 -16.087 69.985 1.00 0.00 O ATOM 25055 C2* G B1166 82.520 -13.926 69.944 1.00 0.00 C ATOM 25056 O2* G B1166 83.683 -13.433 69.304 1.00 0.00 O ATOM 25057 C1* G B1166 81.325 -13.447 69.125 1.00 0.00 C ATOM 25058 N9 G B1166 80.092 -13.233 69.933 1.00 0.00 N ATOM 25059 C8 G B1166 78.951 -14.002 70.001 1.00 0.00 C ATOM 25060 N7 G B1166 78.040 -13.534 70.821 1.00 0.00 N ATOM 25061 C5 G B1166 78.620 -12.373 71.331 1.00 0.00 C ATOM 25062 C6 G B1166 78.111 -11.433 72.266 1.00 0.00 C ATOM 25063 O6 G B1166 77.027 -11.433 72.844 1.00 0.00 O ATOM 25064 N1 G B1166 79.028 -10.402 72.504 1.00 0.00 N ATOM 25065 C2 G B1166 80.274 -10.291 71.918 1.00 0.00 C ATOM 25066 N2 G B1166 81.002 -9.234 72.278 1.00 0.00 N ATOM 25067 N3 G B1166 80.749 -11.174 71.041 1.00 0.00 N ATOM 25068 C4 G B1166 79.872 -12.183 70.798 1.00 0.00 C ATOM 25069 P C B1167 83.922 -16.786 71.432 1.00 0.00 P ATOM 25070 O1P C B1167 85.069 -17.715 71.332 1.00 0.00 O ATOM 25071 O2P C B1167 82.666 -17.369 71.954 1.00 0.00 O ATOM 25072 O5* C B1167 84.332 -15.510 72.303 1.00 0.00 O ATOM 25073 C5* C B1167 85.480 -14.735 71.910 1.00 0.00 C ATOM 25074 C4* C B1167 85.608 -13.512 72.796 1.00 0.00 C ATOM 25075 O4* C B1167 84.496 -12.613 72.523 1.00 0.00 O ATOM 25076 C3* C B1167 85.514 -13.765 74.301 1.00 0.00 C ATOM 25077 O3* C B1167 86.742 -14.151 74.833 1.00 0.00 O ATOM 25078 C2* C B1167 85.045 -12.412 74.822 1.00 0.00 C ATOM 25079 O2* C B1167 86.113 -11.482 74.847 1.00 0.00 O ATOM 25080 C1* C B1167 84.093 -11.966 73.719 1.00 0.00 C ATOM 25081 N1 C B1167 82.669 -12.318 73.976 1.00 0.00 N ATOM 25082 C2 C B1167 81.978 -11.580 74.933 1.00 0.00 C ATOM 25083 O2 C B1167 82.570 -10.668 75.522 1.00 0.00 O ATOM 25084 N3 C B1167 80.681 -11.888 75.182 1.00 0.00 N ATOM 25085 C4 C B1167 80.075 -12.881 74.520 1.00 0.00 C ATOM 25086 N4 C B1167 78.808 -13.141 74.799 1.00 0.00 N ATOM 25087 C5 C B1167 80.768 -13.654 73.532 1.00 0.00 C ATOM 25088 C6 C B1167 82.064 -13.333 73.298 1.00 0.00 C ATOM 25089 P G B1168 86.762 -15.213 76.074 1.00 0.00 P ATOM 25090 O1P G B1168 88.121 -15.771 76.250 1.00 0.00 O ATOM 25091 O2P G B1168 85.679 -16.204 75.894 1.00 0.00 O ATOM 25092 O5* G B1168 86.413 -14.244 77.301 1.00 0.00 O ATOM 25093 C5* G B1168 87.294 -13.146 77.597 1.00 0.00 C ATOM 25094 C4* G B1168 86.708 -12.297 78.705 1.00 0.00 C ATOM 25095 O4* G B1168 85.511 -11.631 78.210 1.00 0.00 O ATOM 25096 C3* G B1168 86.220 -13.055 79.943 1.00 0.00 C ATOM 25097 O3* G B1168 87.264 -13.311 80.831 1.00 0.00 O ATOM 25098 C2* G B1168 85.179 -12.097 80.516 1.00 0.00 C ATOM 25099 O2* G B1168 85.806 -11.013 81.182 1.00 0.00 O ATOM 25100 C1* G B1168 84.547 -11.534 79.247 1.00 0.00 C ATOM 25101 N9 G B1168 83.325 -12.260 78.811 1.00 0.00 N ATOM 25102 C8 G B1168 83.165 -13.139 77.759 1.00 0.00 C ATOM 25103 N7 G B1168 81.947 -13.613 77.646 1.00 0.00 N ATOM 25104 C5 G B1168 81.254 -13.010 78.695 1.00 0.00 C ATOM 25105 C6 G B1168 79.896 -13.133 79.083 1.00 0.00 C ATOM 25106 O6 G B1168 79.009 -13.815 78.575 1.00 0.00 O ATOM 25107 N1 G B1168 79.609 -12.343 80.205 1.00 0.00 N ATOM 25108 C2 G B1168 80.521 -11.538 80.864 1.00 0.00 C ATOM 25109 N2 G B1168 80.050 -10.862 81.916 1.00 0.00 N ATOM 25110 N3 G B1168 81.793 -11.422 80.497 1.00 0.00 N ATOM 25111 C4 G B1168 82.087 -12.183 79.410 1.00 0.00 C ATOM 25112 P A B1169 87.234 -14.692 81.699 1.00 0.00 P ATOM 25113 O1P A B1169 88.566 -14.955 82.288 1.00 0.00 O ATOM 25114 O2P A B1169 86.668 -15.782 80.870 1.00 0.00 O ATOM 25115 O5* A B1169 86.199 -14.298 82.857 1.00 0.00 O ATOM 25116 C5* A B1169 86.513 -13.196 83.725 1.00 0.00 C ATOM 25117 C4* A B1169 85.351 -12.921 84.656 1.00 0.00 C ATOM 25118 O4* A B1169 84.229 -12.415 83.873 1.00 0.00 O ATOM 25119 C3* A B1169 84.773 -14.137 85.377 1.00 0.00 C ATOM 25120 O3* A B1169 85.492 -14.434 86.533 1.00 0.00 O ATOM 25121 C2* A B1169 83.342 -13.689 85.672 1.00 0.00 C ATOM 25122 O2* A B1169 83.315 -12.781 86.760 1.00 0.00 O ATOM 25123 C1* A B1169 83.008 -12.888 84.418 1.00 0.00 C ATOM 25124 N9 A B1169 82.314 -13.684 83.366 1.00 0.00 N ATOM 25125 C8 A B1169 82.812 -14.168 82.177 1.00 0.00 C ATOM 25126 N7 A B1169 81.943 -14.831 81.477 1.00 0.00 N ATOM 25127 C5 A B1169 80.788 -14.791 82.242 1.00 0.00 C ATOM 25128 C6 A B1169 79.501 -15.317 82.050 1.00 0.00 C ATOM 25129 N6 A B1169 79.148 -16.020 80.962 1.00 0.00 N ATOM 25130 N1 A B1169 78.589 -15.093 83.010 1.00 0.00 N ATOM 25131 C2 A B1169 78.948 -14.392 84.086 1.00 0.00 C ATOM 25132 N3 A B1169 80.113 -13.857 84.377 1.00 0.00 N ATOM 25133 C4 A B1169 81.009 -14.095 83.398 1.00 0.00 C ATOM 25134 P C B1170 85.648 -15.997 86.980 1.00 0.00 P ATOM 25135 O1P C B1170 86.723 -16.137 87.986 1.00 0.00 O ATOM 25136 O2P C B1170 85.784 -16.842 85.774 1.00 0.00 O ATOM 25137 O5* C B1170 84.227 -16.259 87.667 1.00 0.00 O ATOM 25138 C5* C B1170 83.849 -15.472 88.812 1.00 0.00 C ATOM 25139 C4* C B1170 82.425 -15.793 89.216 1.00 0.00 C ATOM 25140 O4* C B1170 81.520 -15.320 88.177 1.00 0.00 O ATOM 25141 C3* C B1170 82.092 -17.280 89.346 1.00 0.00 C ATOM 25142 O3* C B1170 82.449 -17.779 90.596 1.00 0.00 O ATOM 25143 C2* C B1170 80.580 -17.290 89.118 1.00 0.00 C ATOM 25144 O2* C B1170 79.895 -16.832 90.272 1.00 0.00 O ATOM 25145 C1* C B1170 80.423 -16.211 88.053 1.00 0.00 C ATOM 25146 N1 C B1170 80.420 -16.743 86.660 1.00 0.00 N ATOM 25147 C2 C B1170 79.279 -17.410 86.223 1.00 0.00 C ATOM 25148 O2 C B1170 78.324 -17.532 87.002 1.00 0.00 O ATOM 25149 N3 C B1170 79.255 -17.901 84.959 1.00 0.00 N ATOM 25150 C4 C B1170 80.311 -17.747 84.148 1.00 0.00 C ATOM 25151 N4 C B1170 80.237 -18.247 82.922 1.00 0.00 N ATOM 25152 C5 C B1170 81.493 -17.065 84.577 1.00 0.00 C ATOM 25153 C6 C B1170 81.496 -16.582 85.845 1.00 0.00 C ATOM 25154 P G B1171 82.968 -19.323 90.706 1.00 0.00 P ATOM 25155 O1P G B1171 83.635 -19.547 92.010 1.00 0.00 O ATOM 25156 O2P G B1171 83.766 -19.661 89.507 1.00 0.00 O ATOM 25157 O5* G B1171 81.575 -20.111 90.671 1.00 0.00 O ATOM 25158 C5* G B1171 80.606 -19.863 91.702 1.00 0.00 C ATOM 25159 C4* G B1171 79.323 -20.613 91.406 1.00 0.00 C ATOM 25160 O4* G B1171 78.701 -20.035 90.223 1.00 0.00 O ATOM 25161 C3* G B1171 79.486 -22.092 91.051 1.00 0.00 C ATOM 25162 O3* G B1171 79.565 -22.885 92.193 1.00 0.00 O ATOM 25163 C2* G B1171 78.228 -22.364 90.229 1.00 0.00 C ATOM 25164 O2* G B1171 77.094 -22.485 91.071 1.00 0.00 O ATOM 25165 C1* G B1171 78.075 -21.053 89.462 1.00 0.00 C ATOM 25166 N9 G B1171 78.704 -21.074 88.112 1.00 0.00 N ATOM 25167 C8 G B1171 79.863 -20.469 87.684 1.00 0.00 C ATOM 25168 N7 G B1171 80.142 -20.682 86.419 1.00 0.00 N ATOM 25169 C5 G B1171 79.090 -21.487 85.980 1.00 0.00 C ATOM 25170 C6 G B1171 78.838 -22.044 84.700 1.00 0.00 C ATOM 25171 O6 G B1171 79.501 -21.941 83.671 1.00 0.00 O ATOM 25172 N1 G B1171 77.657 -22.796 84.693 1.00 0.00 N ATOM 25173 C2 G B1171 76.828 -22.988 85.779 1.00 0.00 C ATOM 25174 N2 G B1171 75.745 -23.742 85.569 1.00 0.00 N ATOM 25175 N3 G B1171 77.064 -22.467 86.980 1.00 0.00 N ATOM 25176 C4 G B1171 78.208 -21.730 87.004 1.00 0.00 C ATOM 25177 H8 G B1171 80.449 -19.821 88.336 1.00 0.00 H ATOM 25178 H1 G B1171 77.353 -23.183 83.772 1.00 0.00 H ATOM 25179 P C B1172 80.509 -24.222 92.157 1.00 0.00 P ATOM 25180 O1P C B1172 80.751 -24.711 93.530 1.00 0.00 O ATOM 25181 O2P C B1172 81.716 -23.948 91.346 1.00 0.00 O ATOM 25182 O5* C B1172 79.554 -25.241 91.378 1.00 0.00 O ATOM 25183 C5* C B1172 78.277 -25.578 91.949 1.00 0.00 C ATOM 25184 C4* C B1172 77.494 -26.454 90.992 1.00 0.00 C ATOM 25185 O4* C B1172 77.133 -25.666 89.820 1.00 0.00 O ATOM 25186 C3* C B1172 78.250 -27.649 90.415 1.00 0.00 C ATOM 25187 O3* C B1172 78.218 -28.742 91.277 1.00 0.00 O ATOM 25188 C2* C B1172 77.500 -27.905 89.110 1.00 0.00 C ATOM 25189 O2* C B1172 76.263 -28.555 89.362 1.00 0.00 O ATOM 25190 C1* C B1172 77.171 -26.484 88.661 1.00 0.00 C ATOM 25191 N1 C B1172 78.172 -25.909 87.720 1.00 0.00 N ATOM 25192 C2 C B1172 78.171 -26.372 86.410 1.00 0.00 C ATOM 25193 O2 C B1172 77.352 -27.237 86.081 1.00 0.00 O ATOM 25194 N3 C B1172 79.075 -25.858 85.536 1.00 0.00 N ATOM 25195 C4 C B1172 79.950 -24.923 85.931 1.00 0.00 C ATOM 25196 N4 C B1172 80.812 -24.456 85.042 1.00 0.00 N ATOM 25197 C5 C B1172 79.964 -24.430 87.276 1.00 0.00 C ATOM 25198 C6 C B1172 79.055 -24.956 88.131 1.00 0.00 C ATOM 25199 P U B1173 79.940 -29.387 91.486 1.00 0.00 P ATOM 25200 O1P U B1173 80.096 -30.177 92.730 1.00 0.00 O ATOM 25201 O2P U B1173 80.918 -28.294 91.290 1.00 0.00 O ATOM 25202 O5* U B1173 79.904 -30.437 89.985 1.00 0.00 O ATOM 25203 C5* U B1173 80.541 -30.419 88.683 1.00 0.00 C ATOM 25204 C4* U B1173 81.581 -31.639 88.334 1.00 0.00 C ATOM 25205 O4* U B1173 81.094 -32.993 88.565 1.00 0.00 O ATOM 25206 C3* U B1173 82.287 -31.725 86.983 1.00 0.00 C ATOM 25207 O3* U B1173 83.194 -30.565 86.545 1.00 0.00 O ATOM 25208 C2* U B1173 82.907 -33.120 87.032 1.00 0.00 C ATOM 25209 O2* U B1173 84.059 -33.125 87.864 1.00 0.00 O ATOM 25210 C1* U B1173 81.829 -33.905 87.772 1.00 0.00 C ATOM 25211 N1 U B1173 80.740 -34.735 86.764 1.00 0.00 N ATOM 25212 C2 U B1173 81.257 -35.735 85.974 1.00 0.00 C ATOM 25213 O2 U B1173 82.443 -36.013 85.946 1.00 0.00 O ATOM 25214 N3 U B1173 80.333 -36.422 85.211 1.00 0.00 N ATOM 25215 C4 U B1173 78.974 -36.192 85.165 1.00 0.00 C ATOM 25216 O4 U B1173 78.246 -36.868 84.437 1.00 0.00 O ATOM 25217 C5 U B1173 78.528 -35.121 86.030 1.00 0.00 C ATOM 25218 C6 U B1173 79.404 -34.441 86.783 1.00 0.00 C ATOM 25219 P U B1174 82.385 -29.445 85.340 1.00 0.00 P ATOM 25220 O1P U B1174 80.974 -29.240 85.739 1.00 0.00 O ATOM 25221 O2P U B1174 82.606 -29.849 83.931 1.00 0.00 O ATOM 25222 O5* U B1174 83.417 -28.010 85.794 1.00 0.00 O ATOM 25223 C5* U B1174 84.243 -26.832 85.671 1.00 0.00 C ATOM 25224 C4* U B1174 85.826 -27.195 85.458 1.00 0.00 C ATOM 25225 O4* U B1174 86.190 -28.468 86.071 1.00 0.00 O ATOM 25226 C3* U B1174 86.481 -27.257 84.079 1.00 0.00 C ATOM 25227 O3* U B1174 86.744 -25.939 83.314 1.00 0.00 O ATOM 25228 C2* U B1174 87.780 -28.002 84.367 1.00 0.00 C ATOM 25229 O2* U B1174 88.720 -27.146 85.000 1.00 0.00 O ATOM 25230 C1* U B1174 87.323 -29.009 85.419 1.00 0.00 C ATOM 25231 N1 U B1174 86.907 -30.536 84.803 1.00 0.00 N ATOM 25232 C2 U B1174 87.937 -31.337 84.369 1.00 0.00 C ATOM 25233 O2 U B1174 89.101 -30.978 84.366 1.00 0.00 O ATOM 25234 N3 U B1174 87.562 -32.591 83.926 1.00 0.00 N ATOM 25235 C4 U B1174 86.280 -33.098 83.883 1.00 0.00 C ATOM 25236 O4 U B1174 86.069 -34.241 83.469 1.00 0.00 O ATOM 25237 C5 U B1174 85.273 -32.183 84.361 1.00 0.00 C ATOM 25238 C6 U B1174 85.605 -30.959 84.796 1.00 0.00 C ATOM 25239 P A B1175 85.390 -24.800 82.857 1.00 0.00 P ATOM 25240 O1P A B1175 85.348 -23.619 83.752 1.00 0.00 O ATOM 25241 O2P A B1175 84.096 -25.486 82.629 1.00 0.00 O ATOM 25242 O5* A B1175 86.235 -24.400 81.292 1.00 0.00 O ATOM 25243 C5* A B1175 87.187 -23.882 80.345 1.00 0.00 C ATOM 25244 C4* A B1175 88.038 -25.040 79.572 1.00 0.00 C ATOM 25245 O4* A B1175 88.646 -26.048 80.428 1.00 0.00 O ATOM 25246 C3* A B1175 87.455 -25.850 78.412 1.00 0.00 C ATOM 25247 O3* A B1175 87.103 -25.071 77.134 1.00 0.00 O ATOM 25248 C2* A B1175 88.494 -26.952 78.238 1.00 0.00 C ATOM 25249 O2* A B1175 89.649 -26.463 77.578 1.00 0.00 O ATOM 25250 C1* A B1175 88.895 -27.229 79.683 1.00 0.00 C ATOM 25251 N9 A B1175 88.064 -28.500 80.411 1.00 0.00 N ATOM 25252 C8 A B1175 87.107 -28.442 81.399 1.00 0.00 C ATOM 25253 N7 A B1175 86.519 -29.574 81.628 1.00 0.00 N ATOM 25254 C5 A B1175 87.121 -30.455 80.741 1.00 0.00 C ATOM 25255 C6 A B1175 86.936 -31.823 80.493 1.00 0.00 C ATOM 25256 N6 A B1175 86.046 -32.581 81.145 1.00 0.00 N ATOM 25257 N1 A B1175 87.700 -32.388 79.540 1.00 0.00 N ATOM 25258 C2 A B1175 88.586 -31.632 78.888 1.00 0.00 C ATOM 25259 N3 A B1175 88.845 -30.348 79.037 1.00 0.00 N ATOM 25260 C4 A B1175 88.063 -29.805 79.996 1.00 0.00 C ATOM 25261 P U B1176 85.502 -24.191 77.104 1.00 0.00 P ATOM 25262 O1P U B1176 85.665 -22.785 76.678 1.00 0.00 O ATOM 25263 O2P U B1176 84.714 -24.403 78.336 1.00 0.00 O ATOM 25264 O5* U B1176 84.925 -25.218 75.720 1.00 0.00 O ATOM 25265 C5* U B1176 84.642 -26.141 74.664 1.00 0.00 C ATOM 25266 C4* U B1176 84.335 -27.643 75.203 1.00 0.00 C ATOM 25267 O4* U B1176 85.118 -28.105 76.344 1.00 0.00 O ATOM 25268 C3* U B1176 82.927 -28.165 75.483 1.00 0.00 C ATOM 25269 O3* U B1176 81.899 -28.116 74.357 1.00 0.00 O ATOM 25270 C2* U B1176 83.212 -29.513 76.148 1.00 0.00 C ATOM 25271 O2* U B1176 83.591 -30.477 75.184 1.00 0.00 O ATOM 25272 C1* U B1176 84.459 -29.194 76.972 1.00 0.00 C ATOM 25273 N1 U B1176 84.152 -28.774 78.583 1.00 0.00 N ATOM 25274 C2 U B1176 83.711 -29.776 79.419 1.00 0.00 C ATOM 25275 O2 U B1176 83.471 -30.903 79.031 1.00 0.00 O ATOM 25276 N3 U B1176 83.564 -29.415 80.746 1.00 0.00 N ATOM 25277 C4 U B1176 83.807 -28.172 81.291 1.00 0.00 C ATOM 25278 O4 U B1176 83.634 -27.969 82.496 1.00 0.00 O ATOM 25279 C5 U B1176 84.265 -27.189 80.335 1.00 0.00 C ATOM 25280 C6 U B1176 84.417 -27.511 79.043 1.00 0.00 C ATOM 25281 P G B1177 80.980 -26.542 74.292 1.00 0.00 P ATOM 25282 O1P G B1177 80.475 -26.235 72.936 1.00 0.00 O ATOM 25283 O2P G B1177 81.699 -25.445 74.975 1.00 0.00 O ATOM 25284 O5* G B1177 79.774 -27.052 75.214 1.00 0.00 O ATOM 25285 C5* G B1177 78.993 -28.180 74.778 1.00 0.00 C ATOM 25286 C4* G B1177 77.997 -28.566 75.853 1.00 0.00 C ATOM 25287 O4* G B1177 78.723 -29.093 77.002 1.00 0.00 O ATOM 25288 C3* G B1177 77.167 -27.422 76.437 1.00 0.00 C ATOM 25289 O3* G B1177 76.053 -27.146 75.649 1.00 0.00 O ATOM 25290 C2* G B1177 76.795 -27.967 77.815 1.00 0.00 C ATOM 25291 O2* G B1177 75.761 -28.930 77.712 1.00 0.00 O ATOM 25292 C1* G B1177 78.066 -28.717 78.200 1.00 0.00 C ATOM 25293 N9 G B1177 79.016 -27.908 79.014 1.00 0.00 N ATOM 25294 C8 G B1177 80.212 -27.334 78.636 1.00 0.00 C ATOM 25295 N7 G B1177 80.815 -26.680 79.599 1.00 0.00 N ATOM 25296 C5 G B1177 79.959 -26.829 80.690 1.00 0.00 C ATOM 25297 C6 G B1177 80.072 -26.340 82.017 1.00 0.00 C ATOM 25298 O6 G B1177 80.970 -25.664 82.513 1.00 0.00 O ATOM 25299 N1 G B1177 78.979 -26.728 82.802 1.00 0.00 N ATOM 25300 C2 G B1177 77.911 -27.485 82.363 1.00 0.00 C ATOM 25301 N2 G B1177 76.965 -27.747 83.267 1.00 0.00 N ATOM 25302 N3 G B1177 77.804 -27.942 81.117 1.00 0.00 N ATOM 25303 C4 G B1177 78.858 -27.578 80.341 1.00 0.00 C ATOM 25304 P C B1178 75.531 -25.601 75.539 1.00 0.00 P ATOM 25305 O1P C B1178 74.597 -25.455 74.401 1.00 0.00 O ATOM 25306 O2P C B1178 76.695 -24.689 75.541 1.00 0.00 O ATOM 25307 O5* C B1178 74.729 -25.457 76.918 1.00 0.00 O ATOM 25308 C5* C B1178 73.606 -26.325 77.167 1.00 0.00 C ATOM 25309 C4* C B1178 73.081 -26.104 78.571 1.00 0.00 C ATOM 25310 O4* C B1178 74.076 -26.573 79.525 1.00 0.00 O ATOM 25311 C3* C B1178 72.847 -24.645 78.971 1.00 0.00 C ATOM 25312 O3* C B1178 71.596 -24.192 78.544 1.00 0.00 O ATOM 25313 C2* C B1178 72.958 -24.709 80.491 1.00 0.00 C ATOM 25314 O2* C B1178 71.786 -25.265 81.063 1.00 0.00 O ATOM 25315 C1* C B1178 74.071 -25.739 80.672 1.00 0.00 C ATOM 25316 N1 C B1178 75.426 -25.138 80.809 1.00 0.00 N ATOM 25317 C2 C B1178 75.744 -24.512 82.013 1.00 0.00 C ATOM 25318 O2 C B1178 74.894 -24.485 82.913 1.00 0.00 O ATOM 25319 N3 C B1178 76.972 -23.957 82.159 1.00 0.00 N ATOM 25320 C4 C B1178 77.867 -24.009 81.162 1.00 0.00 C ATOM 25321 N4 C B1178 79.054 -23.455 81.353 1.00 0.00 N ATOM 25322 C5 C B1178 77.559 -24.647 79.916 1.00 0.00 C ATOM 25323 C6 C B1178 76.327 -25.196 79.791 1.00 0.00 C ATOM 25324 P G B1179 71.440 -22.630 78.100 1.00 0.00 P ATOM 25325 O1P G B1179 70.179 -22.437 77.348 1.00 0.00 O ATOM 25326 O2P G B1179 72.674 -22.186 77.415 1.00 0.00 O ATOM 25327 O5* G B1179 71.329 -21.920 79.529 1.00 0.00 O ATOM 25328 C5* G B1179 70.244 -22.279 80.404 1.00 0.00 C ATOM 25329 C4* G B1179 70.404 -21.587 81.744 1.00 0.00 C ATOM 25330 O4* G B1179 71.571 -22.137 82.421 1.00 0.00 O ATOM 25331 C3* G B1179 70.689 -20.085 81.684 1.00 0.00 C ATOM 25332 O3* G B1179 69.514 -19.346 81.560 1.00 0.00 O ATOM 25333 C2* G B1179 71.400 -19.841 83.014 1.00 0.00 C ATOM 25334 O2* G B1179 70.472 -19.825 84.086 1.00 0.00 O ATOM 25335 C1* G B1179 72.225 -21.115 83.158 1.00 0.00 C ATOM 25336 N9 G B1179 73.616 -20.989 82.636 1.00 0.00 N ATOM 25337 C8 G B1179 74.158 -21.506 81.480 1.00 0.00 C ATOM 25338 N7 G B1179 75.425 -21.210 81.309 1.00 0.00 N ATOM 25339 C5 G B1179 75.742 -20.446 82.431 1.00 0.00 C ATOM 25340 C6 G B1179 76.967 -19.838 82.808 1.00 0.00 C ATOM 25341 O6 G B1179 78.046 -19.851 82.219 1.00 0.00 O ATOM 25342 N1 G B1179 76.848 -19.153 84.023 1.00 0.00 N ATOM 25343 C2 G B1179 75.691 -19.063 84.777 1.00 0.00 C ATOM 25344 N2 G B1179 75.783 -18.363 85.910 1.00 0.00 N ATOM 25345 N3 G B1179 74.544 -19.633 84.423 1.00 0.00 N ATOM 25346 C4 G B1179 74.642 -20.306 83.246 1.00 0.00 C ATOM 25347 P U B1180 69.543 -17.964 80.694 1.00 0.00 P ATOM 25348 O1P U B1180 68.163 -17.532 80.372 1.00 0.00 O ATOM 25349 O2P U B1180 70.452 -18.126 79.539 1.00 0.00 O ATOM 25350 O5* U B1180 70.190 -16.956 81.756 1.00 0.00 O ATOM 25351 C5* U B1180 69.510 -16.723 83.003 1.00 0.00 C ATOM 25352 C4* U B1180 70.357 -15.845 83.899 1.00 0.00 C ATOM 25353 O4* U B1180 71.543 -16.586 84.306 1.00 0.00 O ATOM 25354 C3* U B1180 70.922 -14.580 83.251 1.00 0.00 C ATOM 25355 O3* U B1180 70.000 -13.537 83.276 1.00 0.00 O ATOM 25356 C2* U B1180 72.152 -14.297 84.113 1.00 0.00 C ATOM 25357 O2* U B1180 71.774 -13.732 85.358 1.00 0.00 O ATOM 25358 C1* U B1180 72.653 -15.710 84.403 1.00 0.00 C ATOM 25359 N1 U B1180 73.695 -16.181 83.445 1.00 0.00 N ATOM 25360 C2 U B1180 74.954 -15.646 83.578 1.00 0.00 C ATOM 25361 O2 U B1180 75.236 -14.821 84.432 1.00 0.00 O ATOM 25362 N3 U B1180 75.892 -16.105 82.676 1.00 0.00 N ATOM 25363 C4 U B1180 75.681 -17.032 81.677 1.00 0.00 C ATOM 25364 O4 U B1180 76.600 -17.367 80.927 1.00 0.00 O ATOM 25365 C5 U B1180 74.329 -17.536 81.615 1.00 0.00 C ATOM 25366 C6 U B1180 73.396 -17.106 82.482 1.00 0.00 C ATOM 25367 P U B1181 69.979 -12.476 82.035 1.00 0.00 P ATOM 25368 O1P U B1181 68.726 -11.688 82.055 1.00 0.00 O ATOM 25369 O2P U B1181 70.271 -13.186 80.772 1.00 0.00 O ATOM 25370 O5* U B1181 71.216 -11.536 82.427 1.00 0.00 O ATOM 25371 C5* U B1181 71.177 -10.813 83.671 1.00 0.00 C ATOM 25372 C4* U B1181 72.492 -10.094 83.894 1.00 0.00 C ATOM 25373 O4* U B1181 73.540 -11.080 84.118 1.00 0.00 O ATOM 25374 C3* U B1181 73.009 -9.270 82.712 1.00 0.00 C ATOM 25375 O3* U B1181 72.438 -8.001 82.686 1.00 0.00 O ATOM 25376 C2* U B1181 74.511 -9.236 82.980 1.00 0.00 C ATOM 25377 O2* U B1181 74.817 -8.314 84.015 1.00 0.00 O ATOM 25378 C1* U B1181 74.757 -10.631 83.547 1.00 0.00 C ATOM 25379 N1 U B1181 75.180 -11.627 82.521 1.00 0.00 N ATOM 25380 C2 U B1181 76.466 -11.530 82.052 1.00 0.00 C ATOM 25381 O2 U B1181 77.253 -10.680 82.436 1.00 0.00 O ATOM 25382 N3 U B1181 76.822 -12.468 81.101 1.00 0.00 N ATOM 25383 C4 U B1181 76.017 -13.469 80.598 1.00 0.00 C ATOM 25384 O4 U B1181 76.448 -14.253 79.748 1.00 0.00 O ATOM 25385 C5 U B1181 74.685 -13.489 81.153 1.00 0.00 C ATOM 25386 C6 U B1181 74.312 -12.587 82.075 1.00 0.00 C ATOM 25387 P G B1182 72.150 -7.300 81.237 1.00 0.00 P ATOM 25388 O1P G B1182 71.229 -6.154 81.398 1.00 0.00 O ATOM 25389 O2P G B1182 71.730 -8.334 80.265 1.00 0.00 O ATOM 25390 O5* G B1182 73.613 -6.770 80.865 1.00 0.00 O ATOM 25391 C5* G B1182 74.253 -5.817 81.737 1.00 0.00 C ATOM 25392 C4* G B1182 75.669 -5.551 81.264 1.00 0.00 C ATOM 25393 O4* G B1182 76.464 -6.760 81.452 1.00 0.00 O ATOM 25394 C3* G B1182 75.826 -5.238 79.774 1.00 0.00 C ATOM 25395 O3* G B1182 75.595 -3.891 79.508 1.00 0.00 O ATOM 25396 C2* G B1182 77.274 -5.652 79.512 1.00 0.00 C ATOM 25397 O2* G B1182 78.172 -4.679 80.016 1.00 0.00 O ATOM 25398 C1* G B1182 77.407 -6.886 80.400 1.00 0.00 C ATOM 25399 N9 G B1182 77.135 -8.168 79.692 1.00 0.00 N ATOM 25400 C8 G B1182 76.036 -8.989 79.772 1.00 0.00 C ATOM 25401 N7 G B1182 76.108 -10.056 79.009 1.00 0.00 N ATOM 25402 C5 G B1182 77.344 -9.926 78.378 1.00 0.00 C ATOM 25403 C6 G B1182 77.981 -10.772 77.436 1.00 0.00 C ATOM 25404 O6 G B1182 77.580 -11.829 76.954 1.00 0.00 O ATOM 25405 N1 G B1182 79.231 -10.263 77.054 1.00 0.00 N ATOM 25406 C2 G B1182 79.791 -9.091 77.522 1.00 0.00 C ATOM 25407 N2 G B1182 80.994 -8.781 77.033 1.00 0.00 N ATOM 25408 N3 G B1182 79.191 -8.297 78.404 1.00 0.00 N ATOM 25409 C4 G B1182 77.978 -8.777 78.787 1.00 0.00 C ATOM 25410 P U B1183 74.905 -3.478 78.089 1.00 0.00 P ATOM 25411 O1P U B1183 74.412 -2.082 78.145 1.00 0.00 O ATOM 25412 O2P U B1183 73.903 -4.499 77.714 1.00 0.00 O ATOM 25413 O5* U B1183 76.165 -3.568 77.106 1.00 0.00 O ATOM 25414 C5* U B1183 77.303 -2.719 77.348 1.00 0.00 C ATOM 25415 C4* U B1183 78.420 -3.058 76.379 1.00 0.00 C ATOM 25416 O4* U B1183 78.926 -4.386 76.695 1.00 0.00 O ATOM 25417 C3* U B1183 78.016 -3.155 74.908 1.00 0.00 C ATOM 25418 O3* U B1183 78.005 -1.905 74.295 1.00 0.00 O ATOM 25419 C2* U B1183 79.094 -4.079 74.346 1.00 0.00 C ATOM 25420 O2* U B1183 80.315 -3.381 74.171 1.00 0.00 O ATOM 25421 C1* U B1183 79.299 -5.053 75.501 1.00 0.00 C ATOM 25422 N1 U B1183 78.481 -6.293 75.391 1.00 0.00 N ATOM 25423 C2 U B1183 78.877 -7.225 74.461 1.00 0.00 C ATOM 25424 O2 U B1183 79.852 -7.071 73.744 1.00 0.00 O ATOM 25425 N3 U B1183 78.095 -8.360 74.390 1.00 0.00 N ATOM 25426 C4 U B1183 76.975 -8.635 75.149 1.00 0.00 C ATOM 25427 O4 U B1183 76.354 -9.688 74.995 1.00 0.00 O ATOM 25428 C5 U B1183 76.638 -7.598 76.097 1.00 0.00 C ATOM 25429 C6 U B1183 77.383 -6.482 76.187 1.00 0.00 C ATOM 25430 P U B1184 76.906 -1.613 73.127 1.00 0.00 P ATOM 25431 O1P U B1184 76.808 -0.158 72.866 1.00 0.00 O ATOM 25432 O2P U B1184 75.637 -2.294 73.462 1.00 0.00 O ATOM 25433 O5* U B1184 77.597 -2.338 71.876 1.00 0.00 O ATOM 25434 C5* U B1184 78.892 -1.891 71.437 1.00 0.00 C ATOM 25435 C4* U B1184 79.406 -2.791 70.332 1.00 0.00 C ATOM 25436 O4* U B1184 79.685 -4.106 70.890 1.00 0.00 O ATOM 25437 C3* U B1184 78.422 -3.077 69.195 1.00 0.00 C ATOM 25438 O3* U B1184 78.445 -2.066 68.236 1.00 0.00 O ATOM 25439 C2* U B1184 78.936 -4.412 68.655 1.00 0.00 C ATOM 25440 O2* U B1184 80.103 -4.221 67.871 1.00 0.00 O ATOM 25441 C1* U B1184 79.374 -5.112 69.939 1.00 0.00 C ATOM 25442 N1 U B1184 78.329 -5.994 70.524 1.00 0.00 N ATOM 25443 C2 U B1184 78.088 -7.187 69.888 1.00 0.00 C ATOM 25444 O2 U B1184 78.688 -7.538 68.883 1.00 0.00 O ATOM 25445 N3 U B1184 77.109 -7.978 70.460 1.00 0.00 N ATOM 25446 C4 U B1184 76.371 -7.684 71.586 1.00 0.00 C ATOM 25447 O4 U B1184 75.521 -8.474 72.006 1.00 0.00 O ATOM 25448 C5 U B1184 76.696 -6.409 72.185 1.00 0.00 C ATOM 25449 C6 U B1184 77.639 -5.619 71.647 1.00 0.00 C ATOM 25450 P G B1185 77.057 -1.691 67.462 1.00 0.00 P ATOM 25451 O1P G B1185 77.193 -0.385 66.777 1.00 0.00 O ATOM 25452 O2P G B1185 75.921 -1.811 68.399 1.00 0.00 O ATOM 25453 O5* G B1185 76.992 -2.866 66.376 1.00 0.00 O ATOM 25454 C5* G B1185 78.057 -2.992 65.415 1.00 0.00 C ATOM 25455 C4* G B1185 77.855 -4.235 64.575 1.00 0.00 C ATOM 25456 O4* G B1185 78.035 -5.408 65.420 1.00 0.00 O ATOM 25457 C3* G B1185 76.457 -4.421 63.984 1.00 0.00 C ATOM 25458 O3* G B1185 76.308 -3.717 62.790 1.00 0.00 O ATOM 25459 C2* G B1185 76.390 -5.933 63.790 1.00 0.00 C ATOM 25460 O2* G B1185 77.139 -6.327 62.653 1.00 0.00 O ATOM 25461 C1* G B1185 77.143 -6.436 65.016 1.00 0.00 C ATOM 25462 N9 G B1185 76.261 -6.759 66.169 1.00 0.00 N ATOM 25463 C8 G B1185 76.068 -6.060 67.342 1.00 0.00 C ATOM 25464 N7 G B1185 75.214 -6.622 68.164 1.00 0.00 N ATOM 25465 C5 G B1185 74.811 -7.774 67.488 1.00 0.00 C ATOM 25466 C6 G B1185 73.895 -8.786 67.874 1.00 0.00 C ATOM 25467 O6 G B1185 73.241 -8.878 68.907 1.00 0.00 O ATOM 25468 N1 G B1185 73.784 -9.776 66.887 1.00 0.00 N ATOM 25469 C2 G B1185 74.465 -9.785 65.686 1.00 0.00 C ATOM 25470 N2 G B1185 74.218 -10.819 64.880 1.00 0.00 N ATOM 25471 N3 G B1185 75.323 -8.834 65.324 1.00 0.00 N ATOM 25472 C4 G B1185 75.445 -7.864 66.271 1.00 0.00 C ATOM 25473 P G B1186 76.980 -3.979 61.048 1.00 0.00 P ATOM 25474 O1P G B1186 75.887 -3.623 60.115 1.00 0.00 O ATOM 25475 O2P G B1186 77.603 -5.304 60.844 1.00 0.00 O ATOM 25476 O5* G B1186 78.408 -2.782 60.890 1.00 0.00 O ATOM 25477 C5* G B1186 79.147 -2.723 59.595 1.00 0.00 C ATOM 25478 C4* G B1186 80.788 -2.632 59.545 1.00 0.00 C ATOM 25479 O4* G B1186 81.384 -2.081 60.755 1.00 0.00 O ATOM 25480 C3* G B1186 81.757 -3.744 59.138 1.00 0.00 C ATOM 25481 O3* G B1186 81.737 -4.319 57.680 1.00 0.00 O ATOM 25482 C2* G B1186 83.112 -3.151 59.523 1.00 0.00 C ATOM 25483 O2* G B1186 83.517 -2.175 58.577 1.00 0.00 O ATOM 25484 C1* G B1186 82.765 -2.404 60.804 1.00 0.00 C ATOM 25485 N9 G B1186 83.066 -3.290 62.261 1.00 0.00 N ATOM 25486 C8 G B1186 83.045 -2.849 63.573 1.00 0.00 C ATOM 25487 N7 G B1186 83.435 -3.751 64.440 1.00 0.00 N ATOM 25488 C5 G B1186 83.738 -4.862 63.651 1.00 0.00 C ATOM 25489 C6 G B1186 84.214 -6.144 64.027 1.00 0.00 C ATOM 25490 O6 G B1186 84.468 -6.572 65.151 1.00 0.00 O ATOM 25491 N1 G B1186 84.393 -6.972 62.913 1.00 0.00 N ATOM 25492 C2 G B1186 84.143 -6.606 61.601 1.00 0.00 C ATOM 25493 N2 G B1186 84.376 -7.543 60.680 1.00 0.00 N ATOM 25494 N3 G B1186 83.697 -5.403 61.250 1.00 0.00 N ATOM 25495 C4 G B1186 83.522 -4.587 62.329 1.00 0.00 C ATOM 25496 P G B1187 83.032 -5.571 57.228 1.00 0.00 P ATOM 25497 O1P G B1187 82.700 -6.856 57.883 1.00 0.00 O ATOM 25498 O2P G B1187 84.406 -5.067 57.441 1.00 0.00 O ATOM 25499 O5* G B1187 82.769 -5.617 55.397 1.00 0.00 O ATOM 25500 C5* G B1187 83.477 -5.675 54.101 1.00 0.00 C ATOM 25501 C4* G B1187 84.279 -7.094 53.770 1.00 0.00 C ATOM 25502 O4* G B1187 84.494 -7.805 55.023 1.00 0.00 O ATOM 25503 C3* G B1187 83.674 -8.152 52.846 1.00 0.00 C ATOM 25504 O3* G B1187 83.868 -7.983 51.312 1.00 0.00 O ATOM 25505 C2* G B1187 84.416 -9.414 53.275 1.00 0.00 C ATOM 25506 O2* G B1187 85.732 -9.429 52.753 1.00 0.00 O ATOM 25507 C1* G B1187 84.536 -9.203 54.782 1.00 0.00 C ATOM 25508 N9 G B1187 83.296 -9.950 55.712 1.00 0.00 N ATOM 25509 C8 G B1187 81.977 -9.579 55.861 1.00 0.00 C ATOM 25510 N7 G B1187 81.318 -10.291 56.747 1.00 0.00 N ATOM 25511 C5 G B1187 82.271 -11.196 57.217 1.00 0.00 C ATOM 25512 C6 G B1187 82.155 -12.221 58.188 1.00 0.00 C ATOM 25513 O6 G B1187 81.169 -12.553 58.848 1.00 0.00 O ATOM 25514 N1 G B1187 83.366 -12.908 58.359 1.00 0.00 N ATOM 25515 C2 G B1187 84.534 -12.633 57.681 1.00 0.00 C ATOM 25516 N2 G B1187 85.584 -13.399 57.988 1.00 0.00 N ATOM 25517 N3 G B1187 84.642 -11.667 56.770 1.00 0.00 N ATOM 25518 C4 G B1187 83.477 -10.995 56.590 1.00 0.00 C ATOM 25519 P U B1188 82.914 -6.741 50.375 1.00 0.00 P ATOM 25520 O1P U B1188 83.768 -5.601 49.984 1.00 0.00 O ATOM 25521 O2P U B1188 81.637 -6.391 51.040 1.00 0.00 O ATOM 25522 O5* U B1188 82.644 -7.878 48.964 1.00 0.00 O ATOM 25523 C5* U B1188 81.974 -8.319 47.750 1.00 0.00 C ATOM 25524 C4* U B1188 80.632 -7.443 47.419 1.00 0.00 C ATOM 25525 O4* U B1188 80.600 -6.174 48.130 1.00 0.00 O ATOM 25526 C3* U B1188 80.097 -7.100 46.029 1.00 0.00 C ATOM 25527 O3* U B1188 79.828 -8.187 44.979 1.00 0.00 O ATOM 25528 C2* U B1188 79.039 -6.049 46.340 1.00 0.00 C ATOM 25529 O2* U B1188 77.863 -6.655 46.858 1.00 0.00 O ATOM 25530 C1* U B1188 79.689 -5.286 47.490 1.00 0.00 C ATOM 25531 N1 U B1188 80.537 -3.898 47.026 1.00 0.00 N ATOM 25532 C2 U B1188 80.373 -3.470 45.730 1.00 0.00 C ATOM 25533 O2 U B1188 79.656 -4.041 44.927 1.00 0.00 O ATOM 25534 N3 U B1188 81.083 -2.338 45.387 1.00 0.00 N ATOM 25535 C4 U B1188 81.921 -1.618 46.213 1.00 0.00 C ATOM 25536 O4 U B1188 82.503 -0.613 45.792 1.00 0.00 O ATOM 25537 C5 U B1188 82.026 -2.142 47.552 1.00 0.00 C ATOM 25538 C6 U B1188 81.348 -3.243 47.913 1.00 0.00 C ATOM 25539 P A B1189 78.133 -8.415 44.308 1.00 0.00 P ATOM 25540 O1P A B1189 77.155 -7.399 44.747 1.00 0.00 O ATOM 25541 O2P A B1189 77.728 -9.823 44.487 1.00 0.00 O ATOM 25542 O5* A B1189 78.617 -8.033 42.582 1.00 0.00 O ATOM 25543 C5* A B1189 77.714 -8.495 41.555 1.00 0.00 C ATOM 25544 C4* A B1189 76.986 -7.419 40.602 1.00 0.00 C ATOM 25545 O4* A B1189 77.052 -5.989 40.877 1.00 0.00 O ATOM 25546 C3* A B1189 77.216 -7.510 39.093 1.00 0.00 C ATOM 25547 O3* A B1189 78.634 -8.004 38.656 1.00 0.00 O ATOM 25548 C2* A B1189 76.504 -6.260 38.584 1.00 0.00 C ATOM 25549 O2* A B1189 75.094 -6.448 38.583 1.00 0.00 O ATOM 25550 C1* A B1189 76.816 -5.256 39.687 1.00 0.00 C ATOM 25551 N9 A B1189 78.160 -4.278 39.389 1.00 0.00 N ATOM 25552 C8 A B1189 79.481 -4.540 39.658 1.00 0.00 C ATOM 25553 N7 A B1189 80.304 -3.668 39.160 1.00 0.00 N ATOM 25554 C5 A B1189 79.480 -2.763 38.508 1.00 0.00 C ATOM 25555 C6 A B1189 79.746 -1.596 37.776 1.00 0.00 C ATOM 25556 N6 A B1189 80.985 -1.124 37.565 1.00 0.00 N ATOM 25557 N1 A B1189 78.696 -0.933 37.264 1.00 0.00 N ATOM 25558 C2 A B1189 77.469 -1.408 37.475 1.00 0.00 C ATOM 25559 N3 A B1189 77.101 -2.478 38.141 1.00 0.00 N ATOM 25560 C4 A B1189 78.172 -3.127 38.646 1.00 0.00 C ATOM 25561 P G B1190 79.055 -9.495 37.023 1.00 0.00 P ATOM 25562 O1P G B1190 79.989 -8.360 36.855 1.00 0.00 O ATOM 25563 O2P G B1190 77.617 -9.168 36.906 1.00 0.00 O ATOM 25564 O5* G B1190 79.331 -10.223 38.422 1.00 0.00 O ATOM 25565 C5* G B1190 79.601 -9.421 39.586 1.00 0.00 C ATOM 25566 C4* G B1190 79.708 -10.304 40.810 1.00 0.00 C ATOM 25567 O4* G B1190 78.394 -10.870 41.100 1.00 0.00 O ATOM 25568 C3* G B1190 80.614 -11.533 40.674 1.00 0.00 C ATOM 25569 O3* G B1190 81.946 -11.213 40.918 1.00 0.00 O ATOM 25570 C2* G B1190 80.032 -12.478 41.723 1.00 0.00 C ATOM 25571 O2* G B1190 80.425 -12.086 43.027 1.00 0.00 O ATOM 25572 C1* G B1190 78.539 -12.188 41.602 1.00 0.00 C ATOM 25573 N9 G B1190 77.824 -13.114 40.681 1.00 0.00 N ATOM 25574 C8 G B1190 77.341 -12.879 39.411 1.00 0.00 C ATOM 25575 N7 G B1190 76.754 -13.914 38.864 1.00 0.00 N ATOM 25576 C5 G B1190 76.854 -14.908 39.837 1.00 0.00 C ATOM 25577 C6 G B1190 76.402 -16.251 39.823 1.00 0.00 C ATOM 25578 O6 G B1190 75.808 -16.853 38.932 1.00 0.00 O ATOM 25579 N1 G B1190 76.715 -16.909 41.021 1.00 0.00 N ATOM 25580 C2 G B1190 77.376 -16.343 42.091 1.00 0.00 C ATOM 25581 N2 G B1190 77.580 -17.140 43.145 1.00 0.00 N ATOM 25582 N3 G B1190 77.801 -15.083 42.105 1.00 0.00 N ATOM 25583 C4 G B1190 77.506 -14.427 40.951 1.00 0.00 C ATOM 25584 P G B1191 83.109 -12.004 40.090 1.00 0.00 P ATOM 25585 O1P G B1191 84.399 -11.288 40.208 1.00 0.00 O ATOM 25586 O2P G B1191 82.640 -12.261 38.710 1.00 0.00 O ATOM 25587 O5* G B1191 83.174 -13.379 40.907 1.00 0.00 O ATOM 25588 C5* G B1191 83.526 -13.346 42.302 1.00 0.00 C ATOM 25589 C4* G B1191 83.406 -14.733 42.898 1.00 0.00 C ATOM 25590 O4* G B1191 82.001 -15.118 42.920 1.00 0.00 O ATOM 25591 C3* G B1191 84.082 -15.857 42.114 1.00 0.00 C ATOM 25592 O3* G B1191 85.439 -15.953 42.423 1.00 0.00 O ATOM 25593 C2* G B1191 83.288 -17.083 42.559 1.00 0.00 C ATOM 25594 O2* G B1191 83.676 -17.488 43.862 1.00 0.00 O ATOM 25595 C1* G B1191 81.878 -16.509 42.674 1.00 0.00 C ATOM 25596 N9 G B1191 81.057 -16.687 41.444 1.00 0.00 N ATOM 25597 C8 G B1191 80.693 -15.754 40.498 1.00 0.00 C ATOM 25598 N7 G B1191 79.957 -16.240 39.527 1.00 0.00 N ATOM 25599 C5 G B1191 79.829 -17.591 39.852 1.00 0.00 C ATOM 25600 C6 G B1191 79.142 -18.630 39.176 1.00 0.00 C ATOM 25601 O6 G B1191 78.497 -18.577 38.132 1.00 0.00 O ATOM 25602 N1 G B1191 79.267 -19.851 39.853 1.00 0.00 N ATOM 25603 C2 G B1191 79.966 -20.042 41.031 1.00 0.00 C ATOM 25604 N2 G B1191 79.964 -21.284 41.519 1.00 0.00 N ATOM 25605 N3 G B1191 80.609 -19.065 41.665 1.00 0.00 N ATOM 25606 C4 G B1191 80.497 -17.873 41.021 1.00 0.00 C ATOM 25607 P G B1192 86.480 -16.407 41.252 1.00 0.00 P ATOM 25608 O1P G B1192 87.871 -16.099 41.658 1.00 0.00 O ATOM 25609 O2P G B1192 86.046 -15.839 39.958 1.00 0.00 O ATOM 25610 O5* G B1192 86.258 -17.992 41.248 1.00 0.00 O ATOM 25611 C5* G B1192 86.533 -18.738 42.447 1.00 0.00 C ATOM 25612 C4* G B1192 86.136 -20.189 42.259 1.00 0.00 C ATOM 25613 O4* G B1192 84.686 -20.269 42.149 1.00 0.00 O ATOM 25614 C3* G B1192 86.640 -20.857 40.979 1.00 0.00 C ATOM 25615 O3* G B1192 87.937 -21.340 41.133 1.00 0.00 O ATOM 25616 C2* G B1192 85.616 -21.971 40.776 1.00 0.00 C ATOM 25617 O2* G B1192 85.854 -23.043 41.670 1.00 0.00 O ATOM 25618 C1* G B1192 84.329 -21.291 41.233 1.00 0.00 C ATOM 25619 N9 G B1192 83.553 -20.669 40.126 1.00 0.00 N ATOM 25620 C8 G B1192 83.411 -19.334 39.805 1.00 0.00 C ATOM 25621 N7 G B1192 82.653 -19.114 38.756 1.00 0.00 N ATOM 25622 C5 G B1192 82.264 -20.392 38.355 1.00 0.00 C ATOM 25623 C6 G B1192 81.440 -20.797 37.275 1.00 0.00 C ATOM 25624 O6 G B1192 80.871 -20.104 36.437 1.00 0.00 O ATOM 25625 N1 G B1192 81.309 -22.192 37.229 1.00 0.00 N ATOM 25626 C2 G B1192 81.899 -23.080 38.110 1.00 0.00 C ATOM 25627 N2 G B1192 81.651 -24.372 37.896 1.00 0.00 N ATOM 25628 N3 G B1192 82.673 -22.696 39.122 1.00 0.00 N ATOM 25629 C4 G B1192 82.809 -21.344 39.183 1.00 0.00 C ATOM 25630 P G B1193 88.940 -21.314 39.845 1.00 0.00 P ATOM 25631 O1P G B1193 90.340 -21.514 40.283 1.00 0.00 O ATOM 25632 O2P G B1193 88.683 -20.098 39.047 1.00 0.00 O ATOM 25633 O5* G B1193 88.436 -22.606 39.046 1.00 0.00 O ATOM 25634 C5* G B1193 88.511 -23.896 39.682 1.00 0.00 C ATOM 25635 C4* G B1193 87.867 -24.947 38.798 1.00 0.00 C ATOM 25636 O4* G B1193 86.437 -24.695 38.732 1.00 0.00 O ATOM 25637 C3* G B1193 88.310 -24.948 37.335 1.00 0.00 C ATOM 25638 O3* G B1193 89.491 -25.666 37.156 1.00 0.00 O ATOM 25639 C2* G B1193 87.117 -25.594 36.640 1.00 0.00 C ATOM 25640 O2* G B1193 87.112 -26.997 36.848 1.00 0.00 O ATOM 25641 C1* G B1193 85.950 -25.025 37.444 1.00 0.00 C ATOM 25642 N9 G B1193 85.358 -23.795 36.843 1.00 0.00 N ATOM 25643 C8 G B1193 85.475 -22.484 37.257 1.00 0.00 C ATOM 25644 N7 G B1193 84.826 -21.629 36.503 1.00 0.00 N ATOM 25645 C5 G B1193 84.235 -22.428 35.524 1.00 0.00 C ATOM 25646 C6 G B1193 83.409 -22.072 34.430 1.00 0.00 C ATOM 25647 O6 G B1193 83.018 -20.958 34.090 1.00 0.00 O ATOM 25648 N1 G B1193 83.032 -23.198 33.685 1.00 0.00 N ATOM 25649 C2 G B1193 83.404 -24.497 33.962 1.00 0.00 C ATOM 25650 N2 G B1193 82.939 -25.431 33.131 1.00 0.00 N ATOM 25651 N3 G B1193 84.182 -24.832 34.991 1.00 0.00 N ATOM 25652 C4 G B1193 84.557 -23.750 35.724 1.00 0.00 C ATOM 25653 P A B1194 90.548 -25.171 36.018 1.00 0.00 P ATOM 25654 O1P A B1194 91.867 -25.815 36.225 1.00 0.00 O ATOM 25655 O2P A B1194 90.557 -23.693 35.961 1.00 0.00 O ATOM 25656 O5* A B1194 89.865 -25.757 34.694 1.00 0.00 O ATOM 25657 C5* A B1194 89.672 -27.182 34.580 1.00 0.00 C ATOM 25658 C4* A B1194 88.899 -27.500 33.317 1.00 0.00 C ATOM 25659 O4* A B1194 87.540 -26.995 33.456 1.00 0.00 O ATOM 25660 C3* A B1194 89.410 -26.833 32.039 1.00 0.00 C ATOM 25661 O3* A B1194 90.447 -27.562 31.461 1.00 0.00 O ATOM 25662 C2* A B1194 88.155 -26.809 31.168 1.00 0.00 C ATOM 25663 O2* A B1194 87.887 -28.094 30.633 1.00 0.00 O ATOM 25664 C1* A B1194 87.069 -26.524 32.203 1.00 0.00 C ATOM 25665 N9 A B1194 86.742 -25.079 32.346 1.00 0.00 N ATOM 25666 C8 A B1194 87.074 -24.214 33.362 1.00 0.00 C ATOM 25667 N7 A B1194 86.632 -23.002 33.187 1.00 0.00 N ATOM 25668 C5 A B1194 85.962 -23.063 31.973 1.00 0.00 C ATOM 25669 C6 A B1194 85.268 -22.098 31.227 1.00 0.00 C ATOM 25670 N6 A B1194 85.129 -20.823 31.614 1.00 0.00 N ATOM 25671 N1 A B1194 84.722 -22.492 30.062 1.00 0.00 N ATOM 25672 C2 A B1194 84.863 -23.761 29.681 1.00 0.00 C ATOM 25673 N3 A B1194 85.488 -24.746 30.291 1.00 0.00 N ATOM 25674 C4 A B1194 86.025 -24.323 31.455 1.00 0.00 C ATOM 25675 P G B1195 91.635 -26.757 30.686 1.00 0.00 P ATOM 25676 O1P G B1195 92.803 -27.645 30.474 1.00 0.00 O ATOM 25677 O2P G B1195 91.912 -25.486 31.392 1.00 0.00 O ATOM 25678 O5* G B1195 90.928 -26.452 29.283 1.00 0.00 O ATOM 25679 C5* G B1195 90.489 -27.557 28.468 1.00 0.00 C ATOM 25680 C4* G B1195 89.739 -27.042 27.258 1.00 0.00 C ATOM 25681 O4* G B1195 88.486 -26.440 27.701 1.00 0.00 O ATOM 25682 C3* G B1195 90.427 -25.921 26.475 1.00 0.00 C ATOM 25683 O3* G B1195 91.344 -26.430 25.559 1.00 0.00 O ATOM 25684 C2* G B1195 89.244 -25.231 25.802 1.00 0.00 C ATOM 25685 O2* G B1195 88.780 -25.992 24.699 1.00 0.00 O ATOM 25686 C1* G B1195 88.175 -25.324 26.884 1.00 0.00 C ATOM 25687 N9 G B1195 88.105 -24.119 27.760 1.00 0.00 N ATOM 25688 C8 G B1195 88.532 -23.964 29.060 1.00 0.00 C ATOM 25689 N7 G B1195 88.321 -22.763 29.550 1.00 0.00 N ATOM 25690 C5 G B1195 87.716 -22.079 28.498 1.00 0.00 C ATOM 25691 C6 G B1195 87.253 -20.738 28.427 1.00 0.00 C ATOM 25692 O6 G B1195 87.287 -19.866 29.292 1.00 0.00 O ATOM 25693 N1 G B1195 86.701 -20.455 27.172 1.00 0.00 N ATOM 25694 C2 G B1195 86.606 -21.347 26.123 1.00 0.00 C ATOM 25695 N2 G B1195 86.047 -20.880 25.003 1.00 0.00 N ATOM 25696 N3 G B1195 87.040 -22.603 26.190 1.00 0.00 N ATOM 25697 C4 G B1195 87.576 -22.896 27.404 1.00 0.00 C ATOM 25698 P C B1196 91.986 -25.865 23.754 1.00 0.00 P ATOM 25699 O1P C B1196 93.089 -26.827 23.553 1.00 0.00 O ATOM 25700 O2P C B1196 92.375 -24.439 23.830 1.00 0.00 O ATOM 25701 O5* C B1196 91.095 -25.860 22.004 1.00 0.00 O ATOM 25702 C5* C B1196 91.048 -25.383 20.473 1.00 0.00 C ATOM 25703 C4* C B1196 89.731 -25.055 19.396 1.00 0.00 C ATOM 25704 O4* C B1196 88.574 -24.348 19.927 1.00 0.00 O ATOM 25705 C3* C B1196 89.475 -25.090 17.887 1.00 0.00 C ATOM 25706 O3* C B1196 90.283 -25.737 16.700 1.00 0.00 O ATOM 25707 C2* C B1196 87.960 -25.260 17.820 1.00 0.00 C ATOM 25708 O2* C B1196 87.592 -26.598 18.115 1.00 0.00 O ATOM 25709 C1* C B1196 87.501 -24.406 18.997 1.00 0.00 C ATOM 25710 N1 C B1196 87.051 -22.786 18.582 1.00 0.00 N ATOM 25711 C2 C B1196 85.900 -22.607 17.818 1.00 0.00 C ATOM 25712 O2 C B1196 85.280 -23.607 17.433 1.00 0.00 O ATOM 25713 N3 C B1196 85.502 -21.346 17.525 1.00 0.00 N ATOM 25714 C4 C B1196 86.198 -20.287 17.962 1.00 0.00 C ATOM 25715 N4 C B1196 85.768 -19.076 17.649 1.00 0.00 N ATOM 25716 C5 C B1196 87.384 -20.448 18.751 1.00 0.00 C ATOM 25717 C6 C B1196 87.767 -21.721 19.032 1.00 0.00 C ATOM 25718 P G B1197 89.325 -26.763 15.443 1.00 0.00 P ATOM 25719 O1P G B1197 87.973 -26.187 15.258 1.00 0.00 O ATOM 25720 O2P G B1197 89.366 -28.175 15.893 1.00 0.00 O ATOM 25721 O5* G B1197 90.188 -26.657 13.788 1.00 0.00 O ATOM 25722 C5* G B1197 90.060 -27.502 12.547 1.00 0.00 C ATOM 25723 C4* G B1197 88.715 -27.273 11.539 1.00 0.00 C ATOM 25724 O4* G B1197 87.803 -26.470 12.344 1.00 0.00 O ATOM 25725 C3* G B1197 88.916 -26.448 10.268 1.00 0.00 C ATOM 25726 O3* G B1197 89.331 -27.771 8.991 1.00 0.00 O ATOM 25727 C2* G B1197 87.536 -25.824 10.071 1.00 0.00 C ATOM 25728 O2* G B1197 86.628 -26.774 9.546 1.00 0.00 O ATOM 25729 C1* G B1197 87.112 -25.550 11.511 1.00 0.00 C ATOM 25730 N9 G B1197 87.478 -23.787 12.131 1.00 0.00 N ATOM 25731 C8 G B1197 88.354 -23.381 13.115 1.00 0.00 C ATOM 25732 N7 G B1197 88.219 -22.128 13.467 1.00 0.00 N ATOM 25733 C5 G B1197 87.191 -21.660 12.654 1.00 0.00 C ATOM 25734 C6 G B1197 86.592 -20.377 12.575 1.00 0.00 C ATOM 25735 O6 G B1197 86.868 -19.361 13.219 1.00 0.00 O ATOM 25736 N1 G B1197 85.574 -20.339 11.619 1.00 0.00 N ATOM 25737 C2 G B1197 85.174 -21.409 10.838 1.00 0.00 C ATOM 25738 N2 G B1197 84.181 -21.169 9.979 1.00 0.00 N ATOM 25739 N3 G B1197 85.733 -22.611 10.909 1.00 0.00 N ATOM 25740 C4 G B1197 86.724 -22.667 11.837 1.00 0.00 C ATOM 25741 P U B1198 89.074 -29.658 8.181 1.00 0.00 P ATOM 25742 O1P U B1198 88.273 -30.402 9.180 1.00 0.00 O ATOM 25743 O2P U B1198 90.273 -30.360 7.668 1.00 0.00 O ATOM 25744 O5* U B1198 88.140 -29.219 6.957 1.00 0.00 O ATOM 25745 C5* U B1198 86.933 -28.484 7.228 1.00 0.00 C ATOM 25746 C4* U B1198 86.276 -28.066 5.930 1.00 0.00 C ATOM 25747 O4* U B1198 87.122 -27.080 5.269 1.00 0.00 O ATOM 25748 C3* U B1198 86.110 -29.170 4.884 1.00 0.00 C ATOM 25749 O3* U B1198 84.954 -29.915 5.109 1.00 0.00 O ATOM 25750 C2* U B1198 86.052 -28.371 3.584 1.00 0.00 C ATOM 25751 O2* U B1198 84.785 -27.753 3.428 1.00 0.00 O ATOM 25752 C1* U B1198 87.056 -27.257 3.864 1.00 0.00 C ATOM 25753 N1 U B1198 88.429 -27.551 3.372 1.00 0.00 N ATOM 25754 C2 U B1198 88.638 -27.476 2.016 1.00 0.00 C ATOM 25755 O2 U B1198 87.759 -27.182 1.226 1.00 0.00 O ATOM 25756 N3 U B1198 89.927 -27.754 1.598 1.00 0.00 N ATOM 25757 C4 U B1198 90.993 -28.097 2.402 1.00 0.00 C ATOM 25758 O4 U B1198 92.100 -28.326 1.911 1.00 0.00 O ATOM 25759 C5 U B1198 90.676 -28.151 3.810 1.00 0.00 C ATOM 25760 C6 U B1198 89.433 -27.884 4.246 1.00 0.00 C ATOM 25761 P U B1199 84.968 -31.508 4.743 1.00 0.00 P ATOM 25762 O1P U B1199 83.817 -32.188 5.378 1.00 0.00 O ATOM 25763 O2P U B1199 86.299 -32.073 5.050 1.00 0.00 O ATOM 25764 O5* U B1199 84.754 -31.453 3.157 1.00 0.00 O ATOM 25765 C5* U B1199 83.555 -30.852 2.633 1.00 0.00 C ATOM 25766 C4* U B1199 83.621 -30.795 1.122 1.00 0.00 C ATOM 25767 O4* U B1199 84.661 -29.851 0.729 1.00 0.00 O ATOM 25768 C3* U B1199 84.024 -32.093 0.423 1.00 0.00 C ATOM 25769 O3* U B1199 82.930 -32.935 0.238 1.00 0.00 O ATOM 25770 C2* U B1199 84.603 -31.581 -0.895 1.00 0.00 C ATOM 25771 O2* U B1199 83.567 -31.192 -1.782 1.00 0.00 O ATOM 25772 C1* U B1199 85.306 -30.307 -0.448 1.00 0.00 C ATOM 25773 N1 U B1199 86.751 -30.498 -0.136 1.00 0.00 N ATOM 25774 C2 U B1199 87.604 -30.662 -1.199 1.00 0.00 C ATOM 25775 O2 U B1199 87.229 -30.656 -2.360 1.00 0.00 O ATOM 25776 N3 U B1199 88.934 -30.837 -0.870 1.00 0.00 N ATOM 25777 C4 U B1199 89.467 -30.861 0.402 1.00 0.00 C ATOM 25778 O4 U B1199 90.678 -31.027 0.574 1.00 0.00 O ATOM 25779 C5 U B1199 88.494 -30.682 1.453 1.00 0.00 C ATOM 25780 C6 U B1199 87.194 -30.511 1.160 1.00 0.00 C ATOM 25781 P C B1200 83.159 -34.550 0.316 1.00 0.00 P ATOM 25782 O1P C B1200 81.861 -35.245 0.464 1.00 0.00 O ATOM 25783 O2P C B1200 84.174 -34.853 1.349 1.00 0.00 O ATOM 25784 O5* C B1200 83.764 -34.838 -1.138 1.00 0.00 O ATOM 25785 C5* C B1200 82.969 -34.525 -2.299 1.00 0.00 C ATOM 25786 C4* C B1200 83.778 -34.757 -3.558 1.00 0.00 C ATOM 25787 O4* C B1200 84.852 -33.776 -3.617 1.00 0.00 O ATOM 25788 C3* C B1200 84.504 -36.102 -3.645 1.00 0.00 C ATOM 25789 O3* C B1200 83.668 -37.106 -4.123 1.00 0.00 O ATOM 25790 C2* C B1200 85.648 -35.782 -4.604 1.00 0.00 C ATOM 25791 O2* C B1200 85.183 -35.721 -5.940 1.00 0.00 O ATOM 25792 C1* C B1200 86.009 -34.358 -4.194 1.00 0.00 C ATOM 25793 N1 C B1200 87.110 -34.283 -3.194 1.00 0.00 N ATOM 25794 C2 C B1200 88.405 -34.533 -3.634 1.00 0.00 C ATOM 25795 O2 C B1200 88.588 -34.806 -4.827 1.00 0.00 O ATOM 25796 N3 C B1200 89.423 -34.469 -2.739 1.00 0.00 N ATOM 25797 C4 C B1200 89.185 -34.170 -1.454 1.00 0.00 C ATOM 25798 N4 C B1200 90.210 -34.120 -0.620 1.00 0.00 N ATOM 25799 C5 C B1200 87.858 -33.909 -0.981 1.00 0.00 C ATOM 25800 C6 C B1200 86.856 -33.978 -1.892 1.00 0.00 C ATOM 25801 P U B1201 83.864 -38.625 -3.560 1.00 0.00 P ATOM 25802 O1P U B1201 82.680 -39.452 -3.887 1.00 0.00 O ATOM 25803 O2P U B1201 84.239 -38.577 -2.127 1.00 0.00 O ATOM 25804 O5* U B1201 85.119 -39.107 -4.430 1.00 0.00 O ATOM 25805 C5* U B1201 84.998 -39.141 -5.864 1.00 0.00 C ATOM 25806 C4* U B1201 86.333 -39.503 -6.485 1.00 0.00 C ATOM 25807 O4* U B1201 87.269 -38.410 -6.259 1.00 0.00 O ATOM 25808 C3* U B1201 87.037 -40.722 -5.888 1.00 0.00 C ATOM 25809 O3* U B1201 86.573 -41.909 -6.451 1.00 0.00 O ATOM 25810 C2* U B1201 88.500 -40.444 -6.227 1.00 0.00 C ATOM 25811 O2* U B1201 88.760 -40.716 -7.596 1.00 0.00 O ATOM 25812 C1* U B1201 88.573 -38.931 -6.052 1.00 0.00 C ATOM 25813 N1 U B1201 89.027 -38.507 -4.700 1.00 0.00 N ATOM 25814 C2 U B1201 90.363 -38.660 -4.412 1.00 0.00 C ATOM 25815 O2 U B1201 91.164 -39.122 -5.206 1.00 0.00 O ATOM 25816 N3 U B1201 90.749 -38.256 -3.148 1.00 0.00 N ATOM 25817 C4 U B1201 89.931 -37.725 -2.173 1.00 0.00 C ATOM 25818 O4 U B1201 90.390 -37.398 -1.074 1.00 0.00 O ATOM 25819 C5 U B1201 88.546 -37.602 -2.566 1.00 0.00 C ATOM 25820 C6 U B1201 88.146 -37.988 -3.789 1.00 0.00 C ATOM 25821 P G B1202 86.499 -43.246 -5.517 1.00 0.00 P ATOM 25822 O1P G B1202 85.656 -44.276 -6.160 1.00 0.00 O ATOM 25823 O2P G B1202 86.111 -42.864 -4.141 1.00 0.00 O ATOM 25824 O5* G B1202 88.031 -43.709 -5.538 1.00 0.00 O ATOM 25825 C5* G B1202 88.642 -44.043 -6.798 1.00 0.00 C ATOM 25826 C4* G B1202 90.116 -44.331 -6.598 1.00 0.00 C ATOM 25827 O4* G B1202 90.791 -43.097 -6.219 1.00 0.00 O ATOM 25828 C3* G B1202 90.459 -45.299 -5.463 1.00 0.00 C ATOM 25829 O3* G B1202 90.363 -46.626 -5.877 1.00 0.00 O ATOM 25830 C2* G B1202 91.889 -44.893 -5.117 1.00 0.00 C ATOM 25831 O2* G B1202 92.801 -45.388 -6.085 1.00 0.00 O ATOM 25832 C1* G B1202 91.831 -43.378 -5.299 1.00 0.00 C ATOM 25833 N9 G B1202 91.543 -42.637 -4.040 1.00 0.00 N ATOM 25834 C8 G B1202 90.378 -42.014 -3.642 1.00 0.00 C ATOM 25835 N7 G B1202 90.454 -41.444 -2.462 1.00 0.00 N ATOM 25836 C5 G B1202 91.757 -41.709 -2.049 1.00 0.00 C ATOM 25837 C6 G B1202 92.429 -41.350 -0.851 1.00 0.00 C ATOM 25838 O6 G B1202 92.003 -40.712 0.108 1.00 0.00 O ATOM 25839 N1 G B1202 93.746 -41.823 -0.839 1.00 0.00 N ATOM 25840 C2 G B1202 94.340 -42.553 -1.852 1.00 0.00 C ATOM 25841 N2 G B1202 95.611 -42.913 -1.650 1.00 0.00 N ATOM 25842 N3 G B1202 93.710 -42.891 -2.975 1.00 0.00 N ATOM 25843 C4 G B1202 92.429 -42.438 -3.002 1.00 0.00 C ATOM 25844 P U B1203 91.495 -48.016 -5.480 1.00 0.00 P ATOM 25845 O1P U B1203 92.884 -47.620 -5.144 1.00 0.00 O ATOM 25846 O2P U B1203 91.358 -49.075 -6.503 1.00 0.00 O ATOM 25847 O5* U B1203 90.525 -48.369 -3.986 1.00 0.00 O ATOM 25848 C5* U B1203 90.352 -48.178 -2.577 1.00 0.00 C ATOM 25849 C4* U B1203 91.760 -47.985 -1.778 1.00 0.00 C ATOM 25850 O4* U B1203 92.984 -48.133 -2.553 1.00 0.00 O ATOM 25851 C3* U B1203 92.030 -46.757 -0.899 1.00 0.00 C ATOM 25852 O3* U B1203 91.030 -46.486 0.211 1.00 0.00 O ATOM 25853 C2* U B1203 93.519 -46.912 -0.587 1.00 0.00 C ATOM 25854 O2* U B1203 93.730 -47.910 0.396 1.00 0.00 O ATOM 25855 C1* U B1203 94.052 -47.469 -1.904 1.00 0.00 C ATOM 25856 N1 U B1203 94.676 -46.305 -2.961 1.00 0.00 N ATOM 25857 C2 U B1203 96.046 -46.193 -3.027 1.00 0.00 C ATOM 25858 O2 U B1203 96.801 -46.905 -2.398 1.00 0.00 O ATOM 25859 N3 U B1203 96.513 -45.191 -3.862 1.00 0.00 N ATOM 25860 C4 U B1203 95.747 -44.326 -4.615 1.00 0.00 C ATOM 25861 O4 U B1203 96.284 -43.472 -5.325 1.00 0.00 O ATOM 25862 C5 U B1203 94.324 -44.528 -4.480 1.00 0.00 C ATOM 25863 C6 U B1203 93.840 -45.490 -3.675 1.00 0.00 C ATOM 25864 P A B1204 89.719 -45.287 -0.210 1.00 0.00 P ATOM 25865 O1P A B1204 88.844 -45.718 -1.329 1.00 0.00 O ATOM 25866 O2P A B1204 90.255 -43.911 -0.313 1.00 0.00 O ATOM 25867 O5* A B1204 88.952 -45.614 1.401 1.00 0.00 O ATOM 25868 C5* A B1204 89.345 -46.743 2.195 1.00 0.00 C ATOM 25869 C4* A B1204 90.076 -46.327 3.579 1.00 0.00 C ATOM 25870 O4* A B1204 90.998 -45.208 3.599 1.00 0.00 O ATOM 25871 C3* A B1204 89.257 -46.159 4.858 1.00 0.00 C ATOM 25872 O3* A B1204 88.379 -47.400 5.119 1.00 0.00 O ATOM 25873 C2* A B1204 90.298 -45.615 5.830 1.00 0.00 C ATOM 25874 O2* A B1204 91.158 -46.648 6.284 1.00 0.00 O ATOM 25875 C1* A B1204 91.128 -44.711 4.922 1.00 0.00 C ATOM 25876 N9 A B1204 90.661 -43.081 4.929 1.00 0.00 N ATOM 25877 C8 A B1204 89.446 -42.542 4.587 1.00 0.00 C ATOM 25878 N7 A B1204 89.441 -41.243 4.542 1.00 0.00 N ATOM 25879 C5 A B1204 90.739 -40.888 4.876 1.00 0.00 C ATOM 25880 C6 A B1204 91.379 -39.646 5.010 1.00 0.00 C ATOM 25881 N6 A B1204 90.762 -38.474 4.808 1.00 0.00 N ATOM 25882 N1 A B1204 92.675 -39.653 5.353 1.00 0.00 N ATOM 25883 C2 A B1204 93.286 -40.823 5.554 1.00 0.00 C ATOM 25884 N3 A B1204 92.793 -42.036 5.461 1.00 0.00 N ATOM 25885 C4 A B1204 91.490 -42.003 5.115 1.00 0.00 C ATOM 25886 P A B1205 87.857 -47.924 6.789 1.00 0.00 P ATOM 25887 O1P A B1205 87.158 -46.849 7.533 1.00 0.00 O ATOM 25888 O2P A B1205 88.951 -48.605 7.515 1.00 0.00 O ATOM 25889 O5* A B1205 86.677 -49.139 6.089 1.00 0.00 O ATOM 25890 C5* A B1205 86.298 -50.385 5.441 1.00 0.00 C ATOM 25891 C4* A B1205 87.574 -51.049 4.676 1.00 0.00 C ATOM 25892 O4* A B1205 88.863 -50.380 4.755 1.00 0.00 O ATOM 25893 C3* A B1205 87.754 -52.061 3.544 1.00 0.00 C ATOM 25894 O3* A B1205 86.499 -52.642 2.854 1.00 0.00 O ATOM 25895 C2* A B1205 88.660 -51.302 2.575 1.00 0.00 C ATOM 25896 O2* A B1205 87.922 -50.333 1.856 1.00 0.00 O ATOM 25897 C1* A B1205 89.572 -50.548 3.536 1.00 0.00 C ATOM 25898 N9 A B1205 91.030 -51.320 3.872 1.00 0.00 N ATOM 25899 C8 A B1205 91.295 -52.668 3.902 1.00 0.00 C ATOM 25900 N7 A B1205 92.557 -52.953 4.048 1.00 0.00 N ATOM 25901 C5 A B1205 93.173 -51.716 4.122 1.00 0.00 C ATOM 25902 C6 A B1205 94.514 -51.334 4.272 1.00 0.00 C ATOM 25903 N6 A B1205 95.528 -52.209 4.389 1.00 0.00 N ATOM 25904 N1 A B1205 94.785 -50.015 4.305 1.00 0.00 N ATOM 25905 C2 A B1205 93.777 -49.149 4.186 1.00 0.00 C ATOM 25906 N3 A B1205 92.493 -49.385 4.040 1.00 0.00 N ATOM 25907 C4 A B1205 92.250 -50.714 4.014 1.00 0.00 C ATOM 25908 P G B1206 86.354 -54.456 2.562 1.00 0.00 P ATOM 25909 O1P G B1206 84.921 -54.829 2.569 1.00 0.00 O ATOM 25910 O2P G B1206 87.229 -55.249 3.449 1.00 0.00 O ATOM 25911 O5* G B1206 86.916 -54.500 1.063 1.00 0.00 O ATOM 25912 C5* G B1206 85.992 -54.675 -0.026 1.00 0.00 C ATOM 25913 C4* G B1206 86.720 -54.558 -1.351 1.00 0.00 C ATOM 25914 O4* G B1206 87.175 -53.184 -1.520 1.00 0.00 O ATOM 25915 C3* G B1206 88.001 -55.388 -1.479 1.00 0.00 C ATOM 25916 O3* G B1206 87.723 -56.697 -1.863 1.00 0.00 O ATOM 25917 C2* G B1206 88.775 -54.613 -2.540 1.00 0.00 C ATOM 25918 O2* G B1206 88.246 -54.860 -3.832 1.00 0.00 O ATOM 25919 C1* G B1206 88.427 -53.170 -2.187 1.00 0.00 C ATOM 25920 N9 G B1206 89.419 -52.516 -1.288 1.00 0.00 N ATOM 25921 C8 G B1206 89.315 -52.217 0.052 1.00 0.00 C ATOM 25922 N7 G B1206 90.380 -51.633 0.553 1.00 0.00 N ATOM 25923 C5 G B1206 91.248 -51.541 -0.535 1.00 0.00 C ATOM 25924 C6 G B1206 92.557 -50.999 -0.616 1.00 0.00 C ATOM 25925 O6 G B1206 93.233 -50.484 0.272 1.00 0.00 O ATOM 25926 N1 G B1206 93.078 -51.109 -1.913 1.00 0.00 N ATOM 25927 C2 G B1206 92.420 -51.667 -2.991 1.00 0.00 C ATOM 25928 N2 G B1206 93.087 -51.676 -4.146 1.00 0.00 N ATOM 25929 N3 G B1206 91.193 -52.175 -2.916 1.00 0.00 N ATOM 25930 C4 G B1206 90.671 -52.077 -1.665 1.00 0.00 C ATOM 25931 P C B1207 88.675 -57.898 -1.297 1.00 0.00 P ATOM 25932 O1P C B1207 88.020 -59.210 -1.506 1.00 0.00 O ATOM 25933 O2P C B1207 89.077 -57.593 0.094 1.00 0.00 O ATOM 25934 O5* C B1207 89.938 -57.763 -2.270 1.00 0.00 O ATOM 25935 C5* C B1207 89.751 -57.934 -3.685 1.00 0.00 C ATOM 25936 C4* C B1207 91.045 -57.641 -4.420 1.00 0.00 C ATOM 25937 O4* C B1207 91.349 -56.223 -4.294 1.00 0.00 O ATOM 25938 C3* C B1207 92.294 -58.331 -3.867 1.00 0.00 C ATOM 25939 O3* C B1207 92.423 -59.628 -4.368 1.00 0.00 O ATOM 25940 C2* C B1207 93.408 -57.403 -4.341 1.00 0.00 C ATOM 25941 O2* C B1207 93.668 -57.592 -5.722 1.00 0.00 O ATOM 25942 C1* C B1207 92.752 -56.034 -4.197 1.00 0.00 C ATOM 25943 N1 C B1207 93.038 -55.366 -2.895 1.00 0.00 N ATOM 25944 C2 C B1207 94.307 -54.832 -2.706 1.00 0.00 C ATOM 25945 O2 C B1207 95.137 -54.927 -3.617 1.00 0.00 O ATOM 25946 N3 C B1207 94.591 -54.220 -1.527 1.00 0.00 N ATOM 25947 C4 C B1207 93.662 -54.134 -0.564 1.00 0.00 C ATOM 25948 N4 C B1207 93.985 -53.527 0.567 1.00 0.00 N ATOM 25949 C5 C B1207 92.350 -54.680 -0.740 1.00 0.00 C ATOM 25950 C6 C B1207 92.088 -55.289 -1.924 1.00 0.00 C ATOM 25951 P C B1208 93.076 -60.776 -3.410 1.00 0.00 P ATOM 25952 O1P C B1208 92.795 -62.122 -3.962 1.00 0.00 O ATOM 25953 O2P C B1208 92.646 -60.552 -2.012 1.00 0.00 O ATOM 25954 O5* C B1208 94.633 -60.445 -3.560 1.00 0.00 O ATOM 25955 C5* C B1208 95.239 -60.513 -4.863 1.00 0.00 C ATOM 25956 C4* C B1208 96.676 -60.041 -4.791 1.00 0.00 C ATOM 25957 O4* C B1208 96.693 -58.615 -4.496 1.00 0.00 O ATOM 25958 C3* C B1208 97.525 -60.658 -3.678 1.00 0.00 C ATOM 25959 O3* C B1208 98.057 -61.888 -4.061 1.00 0.00 O ATOM 25960 C2* C B1208 98.599 -59.592 -3.468 1.00 0.00 C ATOM 25961 O2* C B1208 99.566 -59.640 -4.504 1.00 0.00 O ATOM 25962 C1* C B1208 97.802 -58.309 -3.664 1.00 0.00 C ATOM 25963 N1 C B1208 97.278 -57.728 -2.396 1.00 0.00 N ATOM 25964 C2 C B1208 98.184 -57.092 -1.552 1.00 0.00 C ATOM 25965 O2 C B1208 99.374 -57.037 -1.887 1.00 0.00 O ATOM 25966 N3 C B1208 97.727 -56.557 -0.390 1.00 0.00 N ATOM 25967 C4 C B1208 96.432 -56.639 -0.064 1.00 0.00 C ATOM 25968 N4 C B1208 96.037 -56.100 1.079 1.00 0.00 N ATOM 25969 C5 C B1208 95.484 -57.289 -0.919 1.00 0.00 C ATOM 25970 C6 C B1208 95.958 -57.818 -2.075 1.00 0.00 C ATOM 25971 P U B1209 98.245 -63.050 -2.928 1.00 0.00 P ATOM 25972 O1P U B1209 98.462 -64.363 -3.574 1.00 0.00 O ATOM 25973 O2P U B1209 97.125 -62.982 -1.964 1.00 0.00 O ATOM 25974 O5* U B1209 99.596 -62.563 -2.222 1.00 0.00 O ATOM 25975 C5* U B1209 100.800 -62.466 -3.009 1.00 0.00 C ATOM 25976 C4* U B1209 101.913 -61.869 -2.174 1.00 0.00 C ATOM 25977 O4* U B1209 101.597 -60.479 -1.884 1.00 0.00 O ATOM 25978 C3* U B1209 102.121 -62.495 -0.794 1.00 0.00 C ATOM 25979 O3* U B1209 102.921 -63.633 -0.862 1.00 0.00 O ATOM 25980 C2* U B1209 102.786 -61.357 -0.023 1.00 0.00 C ATOM 25981 O2* U B1209 104.146 -61.227 -0.391 1.00 0.00 O ATOM 25982 C1* U B1209 102.058 -60.139 -0.585 1.00 0.00 C ATOM 25983 N1 U B1209 100.882 -59.719 0.224 1.00 0.00 N ATOM 25984 C2 U B1209 101.136 -59.082 1.416 1.00 0.00 C ATOM 25985 O2 U B1209 102.266 -58.859 1.818 1.00 0.00 O ATOM 25986 N3 U B1209 100.022 -58.705 2.138 1.00 0.00 N ATOM 25987 C4 U B1209 98.705 -58.907 1.778 1.00 0.00 C ATOM 25988 O4 U B1209 97.790 -58.525 2.510 1.00 0.00 O ATOM 25989 C5 U B1209 98.538 -59.580 0.512 1.00 0.00 C ATOM 25990 C6 U B1209 99.604 -59.959 -0.211 1.00 0.00 C ATOM 25991 P G B1210 101.795 -65.114 -0.734 1.00 0.00 P ATOM 25992 O1P G B1210 102.512 -66.128 0.075 1.00 0.00 O ATOM 25993 O2P G B1210 101.184 -65.607 -1.989 1.00 0.00 O ATOM 25994 O5* G B1210 100.579 -64.330 0.417 1.00 0.00 O ATOM 25995 C5* G B1210 99.678 -64.264 1.524 1.00 0.00 C ATOM 25996 C4* G B1210 98.103 -64.447 1.164 1.00 0.00 C ATOM 25997 O4* G B1210 97.715 -65.380 0.117 1.00 0.00 O ATOM 25998 C3* G B1210 96.997 -64.588 2.213 1.00 0.00 C ATOM 25999 O3* G B1210 96.875 -63.395 3.186 1.00 0.00 O ATOM 26000 C2* G B1210 95.759 -64.807 1.343 1.00 0.00 C ATOM 26001 O2* G B1210 95.332 -63.589 0.756 1.00 0.00 O ATOM 26002 C1* G B1210 96.325 -65.669 0.212 1.00 0.00 C ATOM 26003 N9 G B1210 96.139 -67.365 0.440 1.00 0.00 N ATOM 26004 C8 G B1210 97.107 -68.333 0.589 1.00 0.00 C ATOM 26005 N7 G B1210 96.631 -69.556 0.648 1.00 0.00 N ATOM 26006 C5 G B1210 95.252 -69.380 0.525 1.00 0.00 C ATOM 26007 C6 G B1210 94.210 -70.343 0.523 1.00 0.00 C ATOM 26008 O6 G B1210 94.287 -71.563 0.621 1.00 0.00 O ATOM 26009 N1 G B1210 92.956 -69.734 0.378 1.00 0.00 N ATOM 26010 C2 G B1210 92.738 -68.373 0.254 1.00 0.00 C ATOM 26011 N2 G B1210 91.465 -67.995 0.127 1.00 0.00 N ATOM 26012 N3 G B1210 93.718 -67.474 0.263 1.00 0.00 N ATOM 26013 C4 G B1210 94.943 -68.048 0.399 1.00 0.00 C ATOM 26014 P C B1211 95.519 -63.505 4.418 1.00 0.00 P ATOM 26015 O1P C B1211 96.071 -63.304 5.776 1.00 0.00 O ATOM 26016 O2P C B1211 94.693 -64.721 4.235 1.00 0.00 O ATOM 26017 O5* C B1211 94.619 -62.014 3.830 1.00 0.00 O ATOM 26018 C5* C B1211 93.480 -61.205 4.231 1.00 0.00 C ATOM 26019 C4* C B1211 92.768 -59.996 3.355 1.00 0.00 C ATOM 26020 O4* C B1211 91.692 -59.380 4.117 1.00 0.00 O ATOM 26021 C3* C B1211 93.495 -58.815 2.719 1.00 0.00 C ATOM 26022 O3* C B1211 94.327 -59.029 1.445 1.00 0.00 O ATOM 26023 C2* C B1211 92.344 -57.859 2.412 1.00 0.00 C ATOM 26024 O2* C B1211 91.626 -58.286 1.269 1.00 0.00 O ATOM 26025 C1* C B1211 91.435 -58.075 3.617 1.00 0.00 C ATOM 26026 N1 C B1211 91.661 -56.958 4.888 1.00 0.00 N ATOM 26027 C2 C B1211 91.201 -55.661 4.698 1.00 0.00 C ATOM 26028 O2 C B1211 90.660 -55.371 3.619 1.00 0.00 O ATOM 26029 N3 C B1211 91.356 -54.758 5.696 1.00 0.00 N ATOM 26030 C4 C B1211 91.942 -55.111 6.847 1.00 0.00 C ATOM 26031 N4 C B1211 92.070 -54.192 7.792 1.00 0.00 N ATOM 26032 C5 C B1211 92.424 -56.439 7.066 1.00 0.00 C ATOM 26033 C6 C B1211 92.261 -57.330 6.049 1.00 0.00 C ATOM 26034 P G B1212 95.078 -60.673 1.185 1.00 0.00 P ATOM 26035 O1P G B1212 96.082 -60.920 2.240 1.00 0.00 O ATOM 26036 O2P G B1212 95.541 -60.860 -0.207 1.00 0.00 O ATOM 26037 O5* G B1212 93.527 -61.594 1.471 1.00 0.00 O ATOM 26038 C5* G B1212 92.495 -62.377 2.118 1.00 0.00 C ATOM 26039 C4* G B1212 91.500 -63.165 1.094 1.00 0.00 C ATOM 26040 O4* G B1212 91.810 -62.916 -0.303 1.00 0.00 O ATOM 26041 C3* G B1212 91.307 -64.680 1.169 1.00 0.00 C ATOM 26042 O3* G B1212 90.603 -65.120 2.533 1.00 0.00 O ATOM 26043 C2* G B1212 90.640 -64.980 -0.167 1.00 0.00 C ATOM 26044 O2* G B1212 89.272 -64.606 -0.147 1.00 0.00 O ATOM 26045 C1* G B1212 91.353 -64.004 -1.096 1.00 0.00 C ATOM 26046 N9 G B1212 92.711 -64.672 -1.943 1.00 0.00 N ATOM 26047 C8 G B1212 93.979 -64.154 -2.093 1.00 0.00 C ATOM 26048 N7 G B1212 94.745 -64.855 -2.898 1.00 0.00 N ATOM 26049 C5 G B1212 93.930 -65.908 -3.304 1.00 0.00 C ATOM 26050 C6 G B1212 94.201 -66.987 -4.179 1.00 0.00 C ATOM 26051 O6 G B1212 95.240 -67.249 -4.783 1.00 0.00 O ATOM 26052 N1 G B1212 93.085 -67.828 -4.321 1.00 0.00 N ATOM 26053 C2 G B1212 91.867 -67.643 -3.696 1.00 0.00 C ATOM 26054 N2 G B1212 90.932 -68.555 -3.962 1.00 0.00 N ATOM 26055 N3 G B1212 91.610 -66.626 -2.878 1.00 0.00 N ATOM 26056 C4 G B1212 92.681 -65.802 -2.732 1.00 0.00 C ATOM 26057 P A B1213 88.746 -65.163 2.777 1.00 0.00 P ATOM 26058 O1P A B1213 88.245 -66.510 2.425 1.00 0.00 O ATOM 26059 O2P A B1213 88.118 -64.036 2.060 1.00 0.00 O ATOM 26060 O5* A B1213 88.472 -64.846 4.593 1.00 0.00 O ATOM 26061 C5* A B1213 87.296 -64.156 5.193 1.00 0.00 C ATOM 26062 C4* A B1213 86.309 -64.941 6.278 1.00 0.00 C ATOM 26063 O4* A B1213 86.919 -66.176 6.752 1.00 0.00 O ATOM 26064 C3* A B1213 85.809 -64.262 7.552 1.00 0.00 C ATOM 26065 O3* A B1213 84.726 -63.150 7.507 1.00 0.00 O ATOM 26066 C2* A B1213 85.363 -65.457 8.395 1.00 0.00 C ATOM 26067 O2* A B1213 84.115 -65.953 7.938 1.00 0.00 O ATOM 26068 C1* A B1213 86.416 -66.496 8.040 1.00 0.00 C ATOM 26069 N9 A B1213 87.716 -66.576 9.113 1.00 0.00 N ATOM 26070 C8 A B1213 87.702 -66.459 10.487 1.00 0.00 C ATOM 26071 N7 A B1213 88.839 -66.729 11.048 1.00 0.00 N ATOM 26072 C5 A B1213 89.675 -67.045 9.991 1.00 0.00 C ATOM 26073 C6 A B1213 91.022 -67.426 9.925 1.00 0.00 C ATOM 26074 N6 A B1213 91.808 -67.557 11.010 1.00 0.00 N ATOM 26075 N1 A B1213 91.543 -67.673 8.713 1.00 0.00 N ATOM 26076 C2 A B1213 90.762 -67.543 7.642 1.00 0.00 C ATOM 26077 N3 A B1213 89.493 -67.195 7.577 1.00 0.00 N ATOM 26078 C4 A B1213 88.995 -66.959 8.805 1.00 0.00 C ATOM 26079 P A B1214 85.163 -61.414 7.966 1.00 0.00 P ATOM 26080 O1P A B1214 84.566 -60.482 6.985 1.00 0.00 O ATOM 26081 O2P A B1214 86.622 -61.269 8.188 1.00 0.00 O ATOM 26082 O5* A B1214 84.265 -61.285 9.573 1.00 0.00 O ATOM 26083 C5* A B1214 83.862 -60.291 10.582 1.00 0.00 C ATOM 26084 C4* A B1214 82.272 -59.855 10.506 1.00 0.00 C ATOM 26085 O4* A B1214 81.728 -60.368 9.255 1.00 0.00 O ATOM 26086 C3* A B1214 81.226 -60.251 11.550 1.00 0.00 C ATOM 26087 O3* A B1214 81.274 -59.438 12.876 1.00 0.00 O ATOM 26088 C2* A B1214 79.923 -60.091 10.774 1.00 0.00 C ATOM 26089 O2* A B1214 79.574 -58.722 10.653 1.00 0.00 O ATOM 26090 C1* A B1214 80.333 -60.570 9.385 1.00 0.00 C ATOM 26091 N9 A B1214 79.999 -62.205 9.072 1.00 0.00 N ATOM 26092 C8 A B1214 79.505 -62.772 7.920 1.00 0.00 C ATOM 26093 N7 A B1214 79.233 -64.036 8.029 1.00 0.00 N ATOM 26094 C5 A B1214 79.566 -64.336 9.344 1.00 0.00 C ATOM 26095 C6 A B1214 79.506 -65.526 10.088 1.00 0.00 C ATOM 26096 N6 A B1214 79.069 -66.688 9.587 1.00 0.00 N ATOM 26097 N1 A B1214 79.915 -65.471 11.372 1.00 0.00 N ATOM 26098 C2 A B1214 80.352 -64.312 11.861 1.00 0.00 C ATOM 26099 N3 A B1214 80.449 -63.147 11.263 1.00 0.00 N ATOM 26100 C4 A B1214 80.036 -63.226 9.983 1.00 0.00 C ATOM 26101 P G B1215 80.138 -59.815 14.264 1.00 0.00 P ATOM 26102 O1P G B1215 78.746 -60.138 13.877 1.00 0.00 O ATOM 26103 O2P G B1215 80.290 -58.831 15.359 1.00 0.00 O ATOM 26104 O5* G B1215 80.926 -61.158 14.629 1.00 0.00 O ATOM 26105 C5* G B1215 80.198 -62.399 14.689 1.00 0.00 C ATOM 26106 C4* G B1215 81.156 -63.549 14.925 1.00 0.00 C ATOM 26107 O4* G B1215 81.994 -63.717 13.746 1.00 0.00 O ATOM 26108 C3* G B1215 82.159 -63.359 16.064 1.00 0.00 C ATOM 26109 O3* G B1215 81.607 -63.706 17.296 1.00 0.00 O ATOM 26110 C2* G B1215 83.295 -64.291 15.647 1.00 0.00 C ATOM 26111 O2* G B1215 82.959 -65.644 15.904 1.00 0.00 O ATOM 26112 C1* G B1215 83.299 -64.113 14.131 1.00 0.00 C ATOM 26113 N9 G B1215 84.258 -63.077 13.652 1.00 0.00 N ATOM 26114 C8 G B1215 84.002 -61.810 13.178 1.00 0.00 C ATOM 26115 N7 G B1215 85.078 -61.143 12.835 1.00 0.00 N ATOM 26116 C5 G B1215 86.119 -62.035 13.099 1.00 0.00 C ATOM 26117 C6 G B1215 87.518 -61.878 12.927 1.00 0.00 C ATOM 26118 O6 G B1215 88.140 -60.909 12.499 1.00 0.00 O ATOM 26119 N1 G B1215 88.212 -63.031 13.320 1.00 0.00 N ATOM 26120 C2 G B1215 87.628 -64.182 13.813 1.00 0.00 C ATOM 26121 N2 G B1215 88.465 -65.173 14.133 1.00 0.00 N ATOM 26122 N3 G B1215 86.317 -64.324 13.976 1.00 0.00 N ATOM 26123 C4 G B1215 85.627 -63.216 13.598 1.00 0.00 C ATOM 26124 P G B1216 82.071 -62.877 18.622 1.00 0.00 P ATOM 26125 O1P G B1216 81.128 -63.128 19.737 1.00 0.00 O ATOM 26126 O2P G B1216 82.286 -61.457 18.269 1.00 0.00 O ATOM 26127 O5* G B1216 83.475 -63.576 18.937 1.00 0.00 O ATOM 26128 C5* G B1216 83.507 -64.988 19.219 1.00 0.00 C ATOM 26129 C4* G B1216 84.939 -65.457 19.360 1.00 0.00 C ATOM 26130 O4* G B1216 85.595 -65.368 18.062 1.00 0.00 O ATOM 26131 C3* G B1216 85.828 -64.617 20.277 1.00 0.00 C ATOM 26132 O3* G B1216 85.684 -64.993 21.613 1.00 0.00 O ATOM 26133 C2* G B1216 87.222 -64.913 19.731 1.00 0.00 C ATOM 26134 O2* G B1216 87.665 -66.195 20.145 1.00 0.00 O ATOM 26135 C1* G B1216 86.955 -64.999 18.233 1.00 0.00 C ATOM 26136 N9 G B1216 87.174 -63.715 17.513 1.00 0.00 N ATOM 26137 C8 G B1216 86.247 -62.831 17.000 1.00 0.00 C ATOM 26138 N7 G B1216 86.775 -61.780 16.417 1.00 0.00 N ATOM 26139 C5 G B1216 88.149 -61.986 16.550 1.00 0.00 C ATOM 26140 C6 G B1216 89.237 -61.185 16.113 1.00 0.00 C ATOM 26141 O6 G B1216 89.214 -60.116 15.509 1.00 0.00 O ATOM 26142 N1 G B1216 90.465 -61.764 16.458 1.00 0.00 N ATOM 26143 C2 G B1216 90.626 -62.956 17.134 1.00 0.00 C ATOM 26144 N2 G B1216 91.882 -63.338 17.368 1.00 0.00 N ATOM 26145 N3 G B1216 89.602 -63.706 17.544 1.00 0.00 N ATOM 26146 C4 G B1216 88.401 -63.161 17.216 1.00 0.00 C ATOM 26147 P U B1217 85.810 -63.847 22.770 1.00 0.00 P ATOM 26148 O1P U B1217 85.273 -64.353 24.051 1.00 0.00 O ATOM 26149 O2P U B1217 85.219 -62.584 22.276 1.00 0.00 O ATOM 26150 O5* U B1217 87.400 -63.697 22.870 1.00 0.00 O ATOM 26151 C5* U B1217 88.187 -64.841 23.246 1.00 0.00 C ATOM 26152 C4* U B1217 89.662 -64.509 23.156 1.00 0.00 C ATOM 26153 O4* U B1217 90.017 -64.312 21.756 1.00 0.00 O ATOM 26154 C3* U B1217 90.094 -63.207 23.832 1.00 0.00 C ATOM 26155 O3* U B1217 90.326 -63.390 25.194 1.00 0.00 O ATOM 26156 C2* U B1217 91.367 -62.854 23.063 1.00 0.00 C ATOM 26157 O2* U B1217 92.449 -63.663 23.482 1.00 0.00 O ATOM 26158 C1* U B1217 91.001 -63.294 21.648 1.00 0.00 C ATOM 26159 N1 U B1217 90.440 -62.200 20.807 1.00 0.00 N ATOM 26160 C2 U B1217 91.319 -61.255 20.342 1.00 0.00 C ATOM 26161 O2 U B1217 92.514 -61.281 20.591 1.00 0.00 O ATOM 26162 N3 U B1217 90.763 -60.257 19.565 1.00 0.00 N ATOM 26163 C4 U B1217 89.434 -60.131 19.222 1.00 0.00 C ATOM 26164 O4 U B1217 89.054 -59.194 18.519 1.00 0.00 O ATOM 26165 C5 U B1217 88.589 -61.174 19.755 1.00 0.00 C ATOM 26166 C6 U B1217 89.102 -62.156 20.516 1.00 0.00 C ATOM 26167 P G B1218 89.980 -62.167 26.220 1.00 0.00 P ATOM 26168 O1P G B1218 89.940 -62.665 27.614 1.00 0.00 O ATOM 26169 O2P G B1218 88.769 -61.458 25.753 1.00 0.00 O ATOM 26170 O5* G B1218 91.263 -61.234 26.018 1.00 0.00 O ATOM 26171 C5* G B1218 92.567 -61.761 26.326 1.00 0.00 C ATOM 26172 C4* G B1218 93.637 -60.758 25.943 1.00 0.00 C ATOM 26173 O4* G B1218 93.669 -60.634 24.493 1.00 0.00 O ATOM 26174 C3* G B1218 93.412 -59.326 26.431 1.00 0.00 C ATOM 26175 O3* G B1218 93.865 -59.153 27.737 1.00 0.00 O ATOM 26176 C2* G B1218 94.215 -58.514 25.418 1.00 0.00 C ATOM 26177 O2* G B1218 95.604 -58.601 25.688 1.00 0.00 O ATOM 26178 C1* G B1218 93.965 -59.295 24.130 1.00 0.00 C ATOM 26179 N9 G B1218 92.825 -58.770 23.327 1.00 0.00 N ATOM 26180 C8 G B1218 91.562 -59.301 23.161 1.00 0.00 C ATOM 26181 N7 G B1218 90.785 -58.589 22.378 1.00 0.00 N ATOM 26182 C5 G B1218 91.591 -57.511 22.001 1.00 0.00 C ATOM 26183 C6 G B1218 91.302 -56.407 21.162 1.00 0.00 C ATOM 26184 O6 G B1218 90.262 -56.143 20.566 1.00 0.00 O ATOM 26185 N1 G B1218 92.406 -55.551 21.047 1.00 0.00 N ATOM 26186 C2 G B1218 93.628 -55.738 21.665 1.00 0.00 C ATOM 26187 N2 G B1218 94.554 -54.804 21.427 1.00 0.00 N ATOM 26188 N3 G B1218 93.896 -56.774 22.454 1.00 0.00 N ATOM 26189 C4 G B1218 92.837 -57.617 22.576 1.00 0.00 C ATOM 26190 P U B1219 93.064 -58.119 28.716 1.00 0.00 P ATOM 26191 O1P U B1219 93.453 -58.345 30.127 1.00 0.00 O ATOM 26192 O2P U B1219 91.616 -58.194 28.429 1.00 0.00 O ATOM 26193 O5* U B1219 93.648 -56.718 28.213 1.00 0.00 O ATOM 26194 C5* U B1219 95.062 -56.472 28.316 1.00 0.00 C ATOM 26195 C4* U B1219 95.408 -55.146 27.672 1.00 0.00 C ATOM 26196 O4* U B1219 95.197 -55.252 26.235 1.00 0.00 O ATOM 26197 C3* U B1219 94.538 -53.959 28.083 1.00 0.00 C ATOM 26198 O3* U B1219 94.990 -53.381 29.269 1.00 0.00 O ATOM 26199 C2* U B1219 94.679 -53.025 26.885 1.00 0.00 C ATOM 26200 O2* U B1219 95.936 -52.369 26.902 1.00 0.00 O ATOM 26201 C1* U B1219 94.715 -54.017 25.725 1.00 0.00 C ATOM 26202 N1 U B1219 93.384 -54.264 25.108 1.00 0.00 N ATOM 26203 C2 U B1219 92.869 -53.270 24.312 1.00 0.00 C ATOM 26204 O2 U B1219 93.452 -52.221 24.101 1.00 0.00 O ATOM 26205 N3 U B1219 91.634 -53.532 23.756 1.00 0.00 N ATOM 26206 C4 U B1219 90.887 -54.681 23.925 1.00 0.00 C ATOM 26207 O4 U B1219 89.788 -54.802 23.377 1.00 0.00 O ATOM 26208 C5 U B1219 91.505 -55.668 24.779 1.00 0.00 C ATOM 26209 C6 U B1219 92.710 -55.436 25.333 1.00 0.00 C ATOM 26210 P G B1220 93.894 -52.741 30.300 1.00 0.00 P ATOM 26211 O1P G B1220 94.509 -52.523 31.627 1.00 0.00 O ATOM 26212 O2P G B1220 92.667 -53.569 30.286 1.00 0.00 O ATOM 26213 O5* G B1220 93.606 -51.335 29.597 1.00 0.00 O ATOM 26214 C5* G B1220 94.693 -50.407 29.420 1.00 0.00 C ATOM 26215 C4* G B1220 94.225 -49.204 28.627 1.00 0.00 C ATOM 26216 O4* G B1220 93.929 -49.624 27.264 1.00 0.00 O ATOM 26217 C3* G B1220 92.924 -48.557 29.103 1.00 0.00 C ATOM 26218 O3* G B1220 93.150 -47.654 30.140 1.00 0.00 O ATOM 26219 C2* G B1220 92.419 -47.878 27.831 1.00 0.00 C ATOM 26220 O2* G B1220 93.147 -46.691 27.572 1.00 0.00 O ATOM 26221 C1* G B1220 92.822 -48.891 26.763 1.00 0.00 C ATOM 26222 N9 G B1220 91.745 -49.859 26.419 1.00 0.00 N ATOM 26223 C8 G B1220 91.632 -51.190 26.756 1.00 0.00 C ATOM 26224 N7 G B1220 90.549 -51.767 26.291 1.00 0.00 N ATOM 26225 C5 G B1220 89.900 -50.746 25.597 1.00 0.00 C ATOM 26226 C6 G B1220 88.677 -50.764 24.880 1.00 0.00 C ATOM 26227 O6 G B1220 87.901 -51.699 24.703 1.00 0.00 O ATOM 26228 N1 G B1220 88.389 -49.507 24.328 1.00 0.00 N ATOM 26229 C2 G B1220 89.179 -48.383 24.454 1.00 0.00 C ATOM 26230 N2 G B1220 88.731 -47.278 23.855 1.00 0.00 N ATOM 26231 N3 G B1220 90.328 -48.367 25.128 1.00 0.00 N ATOM 26232 C4 G B1220 90.622 -49.579 25.671 1.00 0.00 C ATOM 26233 P C B1221 92.015 -47.492 31.301 1.00 0.00 P ATOM 26234 O1P C B1221 92.581 -46.789 32.476 1.00 0.00 O ATOM 26235 O2P C B1221 91.398 -48.808 31.574 1.00 0.00 O ATOM 26236 O5* C B1221 90.959 -46.543 30.560 1.00 0.00 O ATOM 26237 C5* C B1221 91.384 -45.238 30.121 1.00 0.00 C ATOM 26238 C4* C B1221 90.272 -44.569 29.340 1.00 0.00 C ATOM 26239 O4* C B1221 90.073 -45.289 28.090 1.00 0.00 O ATOM 26240 C3* C B1221 88.892 -44.589 29.999 1.00 0.00 C ATOM 26241 O3* C B1221 88.742 -43.541 30.905 1.00 0.00 O ATOM 26242 C2* C B1221 87.960 -44.459 28.795 1.00 0.00 C ATOM 26243 O2* C B1221 87.936 -43.124 28.317 1.00 0.00 O ATOM 26244 C1* C B1221 88.696 -45.289 27.747 1.00 0.00 C ATOM 26245 N1 C B1221 88.240 -46.706 27.681 1.00 0.00 N ATOM 26246 C2 C B1221 87.007 -46.963 27.085 1.00 0.00 C ATOM 26247 O2 C B1221 86.348 -46.014 26.642 1.00 0.00 O ATOM 26248 N3 C B1221 86.575 -48.249 27.014 1.00 0.00 N ATOM 26249 C4 C B1221 87.319 -49.248 27.505 1.00 0.00 C ATOM 26250 N4 C B1221 86.851 -50.483 27.410 1.00 0.00 N ATOM 26251 C5 C B1221 88.590 -49.004 28.119 1.00 0.00 C ATOM 26252 C6 C B1221 89.004 -47.715 28.181 1.00 0.00 C ATOM 26253 P U B1222 87.836 -43.782 32.240 1.00 0.00 P ATOM 26254 O1P U B1222 88.094 -42.718 33.236 1.00 0.00 O ATOM 26255 O2P U B1222 88.023 -45.171 32.719 1.00 0.00 O ATOM 26256 O5* U B1222 86.362 -43.613 31.636 1.00 0.00 O ATOM 26257 C5* U B1222 85.995 -42.360 31.033 1.00 0.00 C ATOM 26258 C4* U B1222 84.613 -42.461 30.422 1.00 0.00 C ATOM 26259 O4* U B1222 84.666 -43.372 29.285 1.00 0.00 O ATOM 26260 C3* U B1222 83.530 -43.060 31.321 1.00 0.00 C ATOM 26261 O3* U B1222 82.972 -42.098 32.162 1.00 0.00 O ATOM 26262 C2* U B1222 82.531 -43.601 30.301 1.00 0.00 C ATOM 26263 O2* U B1222 81.765 -42.549 29.739 1.00 0.00 O ATOM 26264 C1* U B1222 83.458 -44.109 29.201 1.00 0.00 C ATOM 26265 N1 U B1222 83.794 -45.556 29.321 1.00 0.00 N ATOM 26266 C2 U B1222 82.811 -46.456 28.987 1.00 0.00 C ATOM 26267 O2 U B1222 81.706 -46.117 28.603 1.00 0.00 O ATOM 26268 N3 U B1222 83.158 -47.788 29.110 1.00 0.00 N ATOM 26269 C4 U B1222 84.375 -48.280 29.534 1.00 0.00 C ATOM 26270 O4 U B1222 84.569 -49.496 29.606 1.00 0.00 O ATOM 26271 C5 U B1222 85.342 -47.261 29.864 1.00 0.00 C ATOM 26272 C6 U B1222 85.029 -45.957 29.752 1.00 0.00 C ATOM 26273 P G B1223 83.986 -41.913 33.614 1.00 0.00 P ATOM 26274 O1P G B1223 83.906 -40.592 34.284 1.00 0.00 O ATOM 26275 O2P G B1223 85.355 -42.436 33.380 1.00 0.00 O ATOM 26276 O5* G B1223 82.970 -43.155 34.470 1.00 0.00 O ATOM 26277 C5* G B1223 82.624 -44.471 34.877 1.00 0.00 C ATOM 26278 C4* G B1223 83.871 -45.520 35.044 1.00 0.00 C ATOM 26279 O4* G B1223 84.363 -45.696 36.403 1.00 0.00 O ATOM 26280 C3* G B1223 83.649 -46.948 34.543 1.00 0.00 C ATOM 26281 O3* G B1223 83.539 -47.009 33.015 1.00 0.00 O ATOM 26282 C2* G B1223 84.804 -47.700 35.203 1.00 0.00 C ATOM 26283 O2* G B1223 86.024 -47.443 34.531 1.00 0.00 O ATOM 26284 C1* G B1223 84.888 -47.007 36.559 1.00 0.00 C ATOM 26285 N9 G B1223 84.011 -47.798 37.831 1.00 0.00 N ATOM 26286 C8 G B1223 83.211 -48.924 37.772 1.00 0.00 C ATOM 26287 N7 G B1223 82.771 -49.319 38.937 1.00 0.00 N ATOM 26288 C5 G B1223 83.314 -48.398 39.837 1.00 0.00 C ATOM 26289 C6 G B1223 83.190 -48.313 41.243 1.00 0.00 C ATOM 26290 O6 G B1223 82.563 -49.047 42.010 1.00 0.00 O ATOM 26291 N1 G B1223 83.905 -47.222 41.754 1.00 0.00 N ATOM 26292 C2 G B1223 84.644 -46.330 41.001 1.00 0.00 C ATOM 26293 N2 G B1223 85.255 -45.352 41.678 1.00 0.00 N ATOM 26294 N3 G B1223 84.762 -46.414 39.675 1.00 0.00 N ATOM 26295 C4 G B1223 84.071 -47.469 39.163 1.00 0.00 C ATOM 26296 P U B1224 82.063 -47.919 32.471 1.00 0.00 P ATOM 26297 O1P U B1224 81.561 -47.513 31.136 1.00 0.00 O ATOM 26298 O2P U B1224 81.053 -47.972 33.548 1.00 0.00 O ATOM 26299 O5* U B1224 83.111 -49.396 32.378 1.00 0.00 O ATOM 26300 C5* U B1224 84.235 -49.820 33.175 1.00 0.00 C ATOM 26301 C4* U B1224 83.762 -50.650 34.496 1.00 0.00 C ATOM 26302 O4* U B1224 82.810 -49.970 35.366 1.00 0.00 O ATOM 26303 C3* U B1224 83.202 -52.068 34.366 1.00 0.00 C ATOM 26304 O3* U B1224 84.181 -53.107 33.812 1.00 0.00 O ATOM 26305 C2* U B1224 82.627 -52.311 35.762 1.00 0.00 C ATOM 26306 O2* U B1224 83.658 -52.587 36.694 1.00 0.00 O ATOM 26307 C1* U B1224 82.071 -50.931 36.109 1.00 0.00 C ATOM 26308 N1 U B1224 80.425 -50.724 35.759 1.00 0.00 N ATOM 26309 C2 U B1224 79.560 -51.678 36.237 1.00 0.00 C ATOM 26310 O2 U B1224 79.933 -52.655 36.864 1.00 0.00 O ATOM 26311 N3 U B1224 78.225 -51.465 35.957 1.00 0.00 N ATOM 26312 C4 U B1224 77.695 -50.398 35.254 1.00 0.00 C ATOM 26313 O4 U B1224 76.481 -50.315 35.062 1.00 0.00 O ATOM 26314 C5 U B1224 78.685 -49.450 34.791 1.00 0.00 C ATOM 26315 C6 U B1224 79.988 -49.634 35.051 1.00 0.00 C ATOM 26316 P G B1225 84.167 -53.297 31.997 1.00 0.00 P ATOM 26317 O1P G B1225 85.442 -52.871 31.375 1.00 0.00 O ATOM 26318 O2P G B1225 82.939 -52.749 31.386 1.00 0.00 O ATOM 26319 O5* G B1225 84.097 -55.100 32.187 1.00 0.00 O ATOM 26320 C5* G B1225 84.222 -56.511 32.369 1.00 0.00 C ATOM 26321 C4* G B1225 82.892 -57.198 33.006 1.00 0.00 C ATOM 26322 O4* G B1225 82.955 -57.489 34.432 1.00 0.00 O ATOM 26323 C3* G B1225 81.481 -56.632 32.812 1.00 0.00 C ATOM 26324 O3* G B1225 80.874 -56.375 31.431 1.00 0.00 O ATOM 26325 C2* G B1225 80.668 -57.464 33.802 1.00 0.00 C ATOM 26326 O2* G B1225 80.433 -58.763 33.289 1.00 0.00 O ATOM 26327 C1* G B1225 81.646 -57.612 34.961 1.00 0.00 C ATOM 26328 N9 G B1225 81.455 -56.445 36.215 1.00 0.00 N ATOM 26329 C8 G B1225 82.216 -55.329 36.489 1.00 0.00 C ATOM 26330 N7 G B1225 81.805 -54.648 37.533 1.00 0.00 N ATOM 26331 C5 G B1225 80.696 -55.364 37.977 1.00 0.00 C ATOM 26332 C6 G B1225 79.825 -55.116 39.073 1.00 0.00 C ATOM 26333 O6 G B1225 79.864 -54.199 39.888 1.00 0.00 O ATOM 26334 N1 G B1225 78.827 -56.090 39.167 1.00 0.00 N ATOM 26335 C2 G B1225 78.681 -57.168 38.315 1.00 0.00 C ATOM 26336 N2 G B1225 77.662 -57.990 38.571 1.00 0.00 N ATOM 26337 N3 G B1225 79.498 -57.403 37.286 1.00 0.00 N ATOM 26338 C4 G B1225 80.473 -56.462 37.180 1.00 0.00 C ATOM 26339 P A B1226 81.705 -56.927 29.899 1.00 0.00 P ATOM 26340 O1P A B1226 83.016 -57.571 30.148 1.00 0.00 O ATOM 26341 O2P A B1226 81.694 -55.866 28.870 1.00 0.00 O ATOM 26342 O5* A B1226 80.404 -58.165 29.610 1.00 0.00 O ATOM 26343 C5* A B1226 79.155 -58.856 29.718 1.00 0.00 C ATOM 26344 C4* A B1226 77.889 -57.866 29.960 1.00 0.00 C ATOM 26345 O4* A B1226 77.844 -57.129 31.217 1.00 0.00 O ATOM 26346 C3* A B1226 77.431 -56.845 28.920 1.00 0.00 C ATOM 26347 O3* A B1226 76.907 -57.546 27.629 1.00 0.00 O ATOM 26348 C2* A B1226 76.372 -56.060 29.688 1.00 0.00 C ATOM 26349 O2* A B1226 75.168 -56.799 29.791 1.00 0.00 O ATOM 26350 C1* A B1226 76.981 -56.011 31.087 1.00 0.00 C ATOM 26351 N9 A B1226 77.874 -54.608 31.420 1.00 0.00 N ATOM 26352 C8 A B1226 79.242 -54.440 31.414 1.00 0.00 C ATOM 26353 N7 A B1226 79.621 -53.210 31.563 1.00 0.00 N ATOM 26354 C5 A B1226 78.433 -52.502 31.674 1.00 0.00 C ATOM 26355 C6 A B1226 78.157 -51.139 31.853 1.00 0.00 C ATOM 26356 N6 A B1226 79.107 -50.197 31.954 1.00 0.00 N ATOM 26357 N1 A B1226 76.863 -50.772 31.927 1.00 0.00 N ATOM 26358 C2 A B1226 75.922 -51.712 31.824 1.00 0.00 C ATOM 26359 N3 A B1226 76.062 -53.009 31.660 1.00 0.00 N ATOM 26360 C4 A B1226 77.365 -53.348 31.587 1.00 0.00 C ATOM 26361 P G B1227 77.979 -57.589 26.159 1.00 0.00 P ATOM 26362 O1P G B1227 77.502 -58.446 25.054 1.00 0.00 O ATOM 26363 O2P G B1227 79.412 -57.722 26.507 1.00 0.00 O ATOM 26364 O5* G B1227 77.638 -56.058 25.842 1.00 0.00 O ATOM 26365 C5* G B1227 76.274 -55.689 25.565 1.00 0.00 C ATOM 26366 C4* G B1227 76.163 -54.186 25.417 1.00 0.00 C ATOM 26367 O4* G B1227 76.419 -53.563 26.711 1.00 0.00 O ATOM 26368 C3* G B1227 77.186 -53.529 24.488 1.00 0.00 C ATOM 26369 O3* G B1227 76.777 -53.587 23.158 1.00 0.00 O ATOM 26370 C2* G B1227 77.241 -52.102 25.026 1.00 0.00 C ATOM 26371 O2* G B1227 76.099 -51.366 24.617 1.00 0.00 O ATOM 26372 C1* G B1227 77.103 -52.334 26.528 1.00 0.00 C ATOM 26373 N9 G B1227 78.408 -52.428 27.241 1.00 0.00 N ATOM 26374 C8 G B1227 79.044 -53.538 27.754 1.00 0.00 C ATOM 26375 N7 G B1227 80.194 -53.275 28.330 1.00 0.00 N ATOM 26376 C5 G B1227 80.327 -51.894 28.187 1.00 0.00 C ATOM 26377 C6 G B1227 81.368 -51.030 28.608 1.00 0.00 C ATOM 26378 O6 G B1227 82.407 -51.308 29.207 1.00 0.00 O ATOM 26379 N1 G B1227 81.105 -49.697 28.260 1.00 0.00 N ATOM 26380 C2 G B1227 79.979 -49.260 27.590 1.00 0.00 C ATOM 26381 N2 G B1227 79.912 -47.948 27.350 1.00 0.00 N ATOM 26382 N3 G B1227 79.002 -50.074 27.191 1.00 0.00 N ATOM 26383 C4 G B1227 79.242 -51.368 27.525 1.00 0.00 C ATOM 26384 P G B1228 77.913 -53.748 21.994 1.00 0.00 P ATOM 26385 O1P G B1228 77.283 -54.153 20.717 1.00 0.00 O ATOM 26386 O2P G B1228 78.999 -54.624 22.482 1.00 0.00 O ATOM 26387 O5* G B1228 78.442 -52.241 21.880 1.00 0.00 O ATOM 26388 C5* G B1228 77.519 -51.203 21.505 1.00 0.00 C ATOM 26389 C4* G B1228 78.197 -49.850 21.582 1.00 0.00 C ATOM 26390 O4* G B1228 78.485 -49.549 22.979 1.00 0.00 O ATOM 26391 C3* G B1228 79.560 -49.749 20.895 1.00 0.00 C ATOM 26392 O3* G B1228 79.430 -49.490 19.534 1.00 0.00 O ATOM 26393 C2* G B1228 80.217 -48.599 21.655 1.00 0.00 C ATOM 26394 O2* G B1228 79.689 -47.353 21.235 1.00 0.00 O ATOM 26395 C1* G B1228 79.708 -48.839 23.074 1.00 0.00 C ATOM 26396 N9 G B1228 80.641 -49.644 23.915 1.00 0.00 N ATOM 26397 C8 G B1228 80.536 -50.956 24.319 1.00 0.00 C ATOM 26398 N7 G B1228 81.537 -51.367 25.060 1.00 0.00 N ATOM 26399 C5 G B1228 82.363 -50.248 25.156 1.00 0.00 C ATOM 26400 C6 G B1228 83.599 -50.075 25.830 1.00 0.00 C ATOM 26401 O6 G B1228 84.230 -50.892 26.498 1.00 0.00 O ATOM 26402 N1 G B1228 84.096 -48.777 25.666 1.00 0.00 N ATOM 26403 C2 G B1228 83.482 -47.773 24.943 1.00 0.00 C ATOM 26404 N2 G B1228 84.120 -46.601 24.905 1.00 0.00 N ATOM 26405 N3 G B1228 82.323 -47.933 24.309 1.00 0.00 N ATOM 26406 C4 G B1228 81.825 -49.191 24.458 1.00 0.00 C ATOM 26407 P C B1229 80.526 -50.125 18.502 1.00 0.00 P ATOM 26408 O1P C B1229 80.023 -50.053 17.113 1.00 0.00 O ATOM 26409 O2P C B1229 80.923 -51.471 18.978 1.00 0.00 O ATOM 26410 O5* C B1229 81.742 -49.105 18.692 1.00 0.00 O ATOM 26411 C5* C B1229 81.544 -47.715 18.377 1.00 0.00 C ATOM 26412 C4* C B1229 82.778 -46.918 18.746 1.00 0.00 C ATOM 26413 O4* C B1229 82.916 -46.908 20.197 1.00 0.00 O ATOM 26414 C3* C B1229 84.110 -47.483 18.253 1.00 0.00 C ATOM 26415 O3* C B1229 84.377 -47.093 16.943 1.00 0.00 O ATOM 26416 C2* C B1229 85.098 -46.895 19.257 1.00 0.00 C ATOM 26417 O2* C B1229 85.347 -45.528 18.976 1.00 0.00 O ATOM 26418 C1* C B1229 84.290 -46.943 20.548 1.00 0.00 C ATOM 26419 N1 C B1229 84.528 -48.171 21.359 1.00 0.00 N ATOM 26420 C2 C B1229 85.732 -48.269 22.052 1.00 0.00 C ATOM 26421 O2 C B1229 86.544 -47.342 21.968 1.00 0.00 O ATOM 26422 N3 C B1229 85.968 -49.381 22.795 1.00 0.00 N ATOM 26423 C4 C B1229 85.059 -50.362 22.860 1.00 0.00 C ATOM 26424 N4 C B1229 85.337 -51.426 23.600 1.00 0.00 N ATOM 26425 C5 C B1229 83.814 -50.280 22.156 1.00 0.00 C ATOM 26426 C6 C B1229 83.599 -49.163 21.419 1.00 0.00 C ATOM 26427 P A B1230 85.179 -48.123 15.965 1.00 0.00 P ATOM 26428 O1P A B1230 85.045 -47.701 14.554 1.00 0.00 O ATOM 26429 O2P A B1230 84.762 -49.513 16.265 1.00 0.00 O ATOM 26430 O5* A B1230 86.687 -47.894 16.457 1.00 0.00 O ATOM 26431 C5* A B1230 87.265 -46.581 16.343 1.00 0.00 C ATOM 26432 C4* A B1230 88.641 -46.562 16.975 1.00 0.00 C ATOM 26433 O4* A B1230 88.497 -46.734 18.417 1.00 0.00 O ATOM 26434 C3* A B1230 89.580 -47.695 16.564 1.00 0.00 C ATOM 26435 O3* A B1230 90.239 -47.404 15.372 1.00 0.00 O ATOM 26436 C2* A B1230 90.527 -47.778 17.757 1.00 0.00 C ATOM 26437 O2* A B1230 91.468 -46.718 17.727 1.00 0.00 O ATOM 26438 C1* A B1230 89.582 -47.497 18.919 1.00 0.00 C ATOM 26439 N9 A B1230 89.024 -48.728 19.549 1.00 0.00 N ATOM 26440 C8 A B1230 87.756 -49.254 19.452 1.00 0.00 C ATOM 26441 N7 A B1230 87.586 -50.348 20.125 1.00 0.00 N ATOM 26442 C5 A B1230 88.820 -50.574 20.718 1.00 0.00 C ATOM 26443 C6 A B1230 89.295 -51.587 21.567 1.00 0.00 C ATOM 26444 N6 A B1230 88.540 -52.611 21.987 1.00 0.00 N ATOM 26445 N1 A B1230 90.576 -51.508 21.969 1.00 0.00 N ATOM 26446 C2 A B1230 91.321 -50.487 21.548 1.00 0.00 C ATOM 26447 N3 A B1230 90.989 -49.489 20.760 1.00 0.00 N ATOM 26448 C4 A B1230 89.702 -49.591 20.368 1.00 0.00 C ATOM 26449 P U B1231 90.588 -48.626 14.347 1.00 0.00 P ATOM 26450 O1P U B1231 90.941 -48.091 13.014 1.00 0.00 O ATOM 26451 O2P U B1231 89.490 -49.618 14.372 1.00 0.00 O ATOM 26452 O5* U B1231 91.889 -49.240 15.045 1.00 0.00 O ATOM 26453 C5* U B1231 93.054 -48.412 15.208 1.00 0.00 C ATOM 26454 C4* U B1231 94.114 -49.152 15.998 1.00 0.00 C ATOM 26455 O4* U B1231 93.644 -49.330 17.364 1.00 0.00 O ATOM 26456 C3* U B1231 94.424 -50.572 15.526 1.00 0.00 C ATOM 26457 O3* U B1231 95.347 -50.576 14.485 1.00 0.00 O ATOM 26458 C2* U B1231 94.968 -51.221 16.797 1.00 0.00 C ATOM 26459 O2* U B1231 96.298 -50.797 17.048 1.00 0.00 O ATOM 26460 C1* U B1231 94.091 -50.577 17.870 1.00 0.00 C ATOM 26461 N1 U B1231 92.894 -51.388 18.223 1.00 0.00 N ATOM 26462 C2 U B1231 93.102 -52.510 18.990 1.00 0.00 C ATOM 26463 O2 U B1231 94.205 -52.856 19.376 1.00 0.00 O ATOM 26464 N3 U B1231 91.969 -53.235 19.301 1.00 0.00 N ATOM 26465 C4 U B1231 90.675 -52.939 18.920 1.00 0.00 C ATOM 26466 O4 U B1231 89.739 -53.665 19.259 1.00 0.00 O ATOM 26467 C5 U B1231 90.559 -51.744 18.119 1.00 0.00 C ATOM 26468 C6 U B1231 91.644 -51.019 17.802 1.00 0.00 C ATOM 26469 P G B1232 95.224 -51.723 13.328 1.00 0.00 P ATOM 26470 O1P G B1232 96.033 -51.351 12.150 1.00 0.00 O ATOM 26471 O2P G B1232 93.795 -52.006 13.068 1.00 0.00 O ATOM 26472 O5* G B1232 95.895 -52.972 14.072 1.00 0.00 O ATOM 26473 C5* G B1232 97.266 -52.875 14.501 1.00 0.00 C ATOM 26474 C4* G B1232 97.651 -54.114 15.286 1.00 0.00 C ATOM 26475 O4* G B1232 96.913 -54.124 16.541 1.00 0.00 O ATOM 26476 C3* G B1232 97.296 -55.450 14.639 1.00 0.00 C ATOM 26477 O3* G B1232 98.269 -55.852 13.726 1.00 0.00 O ATOM 26478 C2* G B1232 97.204 -56.377 15.849 1.00 0.00 C ATOM 26479 O2* G B1232 98.496 -56.720 16.317 1.00 0.00 O ATOM 26480 C1* G B1232 96.583 -55.456 16.895 1.00 0.00 C ATOM 26481 N9 G B1232 95.098 -55.556 16.972 1.00 0.00 N ATOM 26482 C8 G B1232 94.139 -54.673 16.527 1.00 0.00 C ATOM 26483 N7 G B1232 92.910 -55.060 16.750 1.00 0.00 N ATOM 26484 C5 G B1232 93.061 -56.287 17.394 1.00 0.00 C ATOM 26485 C6 G B1232 92.083 -57.190 17.884 1.00 0.00 C ATOM 26486 O6 G B1232 90.859 -57.090 17.853 1.00 0.00 O ATOM 26487 N1 G B1232 92.673 -58.319 18.467 1.00 0.00 N ATOM 26488 C2 G B1232 94.031 -58.548 18.563 1.00 0.00 C ATOM 26489 N2 G B1232 94.396 -59.688 19.155 1.00 0.00 N ATOM 26490 N3 G B1232 94.951 -57.703 18.100 1.00 0.00 N ATOM 26491 C4 G B1232 94.392 -56.600 17.533 1.00 0.00 C ATOM 26492 P C B1233 97.804 -56.682 12.399 1.00 0.00 P ATOM 26493 O1P C B1233 98.894 -56.694 11.396 1.00 0.00 O ATOM 26494 O2P C B1233 96.500 -56.168 11.927 1.00 0.00 O ATOM 26495 O5* C B1233 97.618 -58.150 13.010 1.00 0.00 O ATOM 26496 C5* C B1233 98.750 -58.804 13.610 1.00 0.00 C ATOM 26497 C4* C B1233 98.322 -60.118 14.232 1.00 0.00 C ATOM 26498 O4* C B1233 97.459 -59.838 15.374 1.00 0.00 O ATOM 26499 C3* C B1233 97.471 -61.029 13.344 1.00 0.00 C ATOM 26500 O3* C B1233 98.265 -61.805 12.505 1.00 0.00 O ATOM 26501 C2* C B1233 96.713 -61.861 14.374 1.00 0.00 C ATOM 26502 O2* C B1233 97.553 -62.855 14.935 1.00 0.00 O ATOM 26503 C1* C B1233 96.452 -60.834 15.470 1.00 0.00 C ATOM 26504 N1 C B1233 95.129 -60.158 15.353 1.00 0.00 N ATOM 26505 C2 C B1233 93.995 -60.889 15.702 1.00 0.00 C ATOM 26506 O2 C B1233 94.133 -62.056 16.092 1.00 0.00 O ATOM 26507 N3 C B1233 92.779 -60.294 15.605 1.00 0.00 N ATOM 26508 C4 C B1233 92.673 -59.026 15.180 1.00 0.00 C ATOM 26509 N4 C B1233 91.464 -58.491 15.102 1.00 0.00 N ATOM 26510 C5 C B1233 93.826 -58.258 14.817 1.00 0.00 C ATOM 26511 C6 C B1233 95.031 -58.873 14.922 1.00 0.00 C ATOM 26512 P U B1234 97.703 -62.179 11.017 1.00 0.00 P ATOM 26513 O1P U B1234 98.805 -62.675 10.163 1.00 0.00 O ATOM 26514 O2P U B1234 96.939 -61.030 10.478 1.00 0.00 O ATOM 26515 O5* U B1234 96.705 -63.378 11.366 1.00 0.00 O ATOM 26516 C5* U B1234 97.230 -64.567 11.986 1.00 0.00 C ATOM 26517 C4* U B1234 96.100 -65.512 12.337 1.00 0.00 C ATOM 26518 O4* U B1234 95.300 -64.913 13.395 1.00 0.00 O ATOM 26519 C3* U B1234 95.091 -65.786 11.222 1.00 0.00 C ATOM 26520 O3* U B1234 95.531 -66.797 10.371 1.00 0.00 O ATOM 26521 C2* U B1234 93.843 -66.183 12.010 1.00 0.00 C ATOM 26522 O2* U B1234 93.962 -67.507 12.504 1.00 0.00 O ATOM 26523 C1* U B1234 93.932 -65.251 13.214 1.00 0.00 C ATOM 26524 N1 U B1234 93.165 -63.984 13.049 1.00 0.00 N ATOM 26525 C2 U B1234 91.797 -64.065 13.141 1.00 0.00 C ATOM 26526 O2 U B1234 91.208 -65.111 13.350 1.00 0.00 O ATOM 26527 N3 U B1234 91.119 -62.872 12.983 1.00 0.00 N ATOM 26528 C4 U B1234 91.685 -61.636 12.745 1.00 0.00 C ATOM 26529 O4 U B1234 90.974 -60.636 12.619 1.00 0.00 O ATOM 26530 C5 U B1234 93.124 -61.650 12.660 1.00 0.00 C ATOM 26531 C6 U B1234 93.808 -62.798 12.812 1.00 0.00 C ATOM 26532 P G B1235 96.156 -65.923 8.841 1.00 0.00 P ATOM 26533 O1P G B1235 95.657 -66.586 7.617 1.00 0.00 O ATOM 26534 O2P G B1235 97.627 -65.784 8.944 1.00 0.00 O ATOM 26535 O5* G B1235 95.373 -64.250 9.036 1.00 0.00 O ATOM 26536 C5* G B1235 95.362 -62.803 9.346 1.00 0.00 C ATOM 26537 C4* G B1235 94.857 -61.645 8.239 1.00 0.00 C ATOM 26538 O4* G B1235 94.116 -62.463 7.290 1.00 0.00 O ATOM 26539 C3* G B1235 93.859 -60.564 8.649 1.00 0.00 C ATOM 26540 O3* G B1235 94.332 -59.109 8.976 1.00 0.00 O ATOM 26541 C2* G B1235 93.102 -60.319 7.346 1.00 0.00 C ATOM 26542 O2* G B1235 93.880 -59.542 6.449 1.00 0.00 O ATOM 26543 C1* G B1235 93.027 -61.727 6.763 1.00 0.00 C ATOM 26544 N9 G B1235 91.582 -62.571 7.123 1.00 0.00 N ATOM 26545 C8 G B1235 91.121 -63.758 6.605 1.00 0.00 C ATOM 26546 N7 G B1235 90.034 -64.209 7.186 1.00 0.00 N ATOM 26547 C5 G B1235 89.757 -63.244 8.159 1.00 0.00 C ATOM 26548 C6 G B1235 88.700 -63.181 9.107 1.00 0.00 C ATOM 26549 O6 G B1235 87.780 -63.972 9.286 1.00 0.00 O ATOM 26550 N1 G B1235 88.802 -62.036 9.902 1.00 0.00 N ATOM 26551 C2 G B1235 89.787 -61.073 9.799 1.00 0.00 C ATOM 26552 N2 G B1235 89.703 -60.050 10.654 1.00 0.00 N ATOM 26553 N3 G B1235 90.778 -61.134 8.908 1.00 0.00 N ATOM 26554 C4 G B1235 90.693 -62.243 8.128 1.00 0.00 C ATOM 26555 P G B1236 95.066 -58.543 10.528 1.00 0.00 P ATOM 26556 O1P G B1236 95.561 -59.681 11.336 1.00 0.00 O ATOM 26557 O2P G B1236 94.282 -57.521 11.262 1.00 0.00 O ATOM 26558 O5* G B1236 96.292 -57.623 9.530 1.00 0.00 O ATOM 26559 C5* G B1236 96.789 -56.415 8.882 1.00 0.00 C ATOM 26560 C4* G B1236 96.038 -54.991 9.207 1.00 0.00 C ATOM 26561 O4* G B1236 94.589 -55.033 9.088 1.00 0.00 O ATOM 26562 C3* G B1236 96.277 -54.110 10.431 1.00 0.00 C ATOM 26563 O3* G B1236 97.661 -53.964 11.172 1.00 0.00 O ATOM 26564 C2* G B1236 95.159 -53.081 10.313 1.00 0.00 C ATOM 26565 O2* G B1236 95.462 -52.121 9.311 1.00 0.00 O ATOM 26566 C1* G B1236 94.013 -53.935 9.777 1.00 0.00 C ATOM 26567 N9 G B1236 92.934 -54.561 11.005 1.00 0.00 N ATOM 26568 C8 G B1236 92.636 -54.045 12.248 1.00 0.00 C ATOM 26569 N7 G B1236 91.720 -54.719 12.902 1.00 0.00 N ATOM 26570 C5 G B1236 91.386 -55.756 12.033 1.00 0.00 C ATOM 26571 C6 G B1236 90.452 -56.809 12.180 1.00 0.00 C ATOM 26572 O6 G B1236 89.709 -57.054 13.126 1.00 0.00 O ATOM 26573 N1 G B1236 90.431 -57.642 11.051 1.00 0.00 N ATOM 26574 C2 G B1236 91.211 -57.475 9.924 1.00 0.00 C ATOM 26575 N2 G B1236 91.044 -58.377 8.954 1.00 0.00 N ATOM 26576 N3 G B1236 92.090 -56.484 9.786 1.00 0.00 N ATOM 26577 C4 G B1236 92.123 -55.664 10.869 1.00 0.00 C ATOM 26578 P A B1237 98.533 -52.402 11.608 1.00 0.00 P ATOM 26579 O1P A B1237 98.966 -52.067 12.982 1.00 0.00 O ATOM 26580 O2P A B1237 97.648 -51.416 10.951 1.00 0.00 O ATOM 26581 O5* A B1237 99.815 -52.671 10.689 1.00 0.00 O ATOM 26582 C5* A B1237 101.127 -52.560 11.273 1.00 0.00 C ATOM 26583 C4* A B1237 102.180 -52.978 10.264 1.00 0.00 C ATOM 26584 O4* A B1237 102.051 -54.405 10.010 1.00 0.00 O ATOM 26585 C3* A B1237 102.062 -52.346 8.878 1.00 0.00 C ATOM 26586 O3* A B1237 102.665 -51.090 8.834 1.00 0.00 O ATOM 26587 C2* A B1237 102.769 -53.372 7.997 1.00 0.00 C ATOM 26588 O2* A B1237 104.178 -53.272 8.141 1.00 0.00 O ATOM 26589 C1* A B1237 102.349 -54.682 8.651 1.00 0.00 C ATOM 26590 N9 A B1237 101.143 -55.301 8.032 1.00 0.00 N ATOM 26591 C8 A B1237 99.856 -55.362 8.516 1.00 0.00 C ATOM 26592 N7 A B1237 99.025 -55.978 7.728 1.00 0.00 N ATOM 26593 C5 A B1237 99.808 -56.353 6.646 1.00 0.00 C ATOM 26594 C6 A B1237 99.513 -57.044 5.460 1.00 0.00 C ATOM 26595 N6 A B1237 98.292 -57.503 5.155 1.00 0.00 N ATOM 26596 N1 A B1237 100.527 -57.249 4.597 1.00 0.00 N ATOM 26597 C2 A B1237 101.737 -56.793 4.904 1.00 0.00 C ATOM 26598 N3 A B1237 102.130 -56.136 5.975 1.00 0.00 N ATOM 26599 C4 A B1237 101.098 -55.943 6.825 1.00 0.00 C ATOM 26600 P G B1238 102.015 -49.941 7.876 1.00 0.00 P ATOM 26601 O1P G B1238 102.551 -48.610 8.235 1.00 0.00 O ATOM 26602 O2P G B1238 100.541 -50.065 7.887 1.00 0.00 O ATOM 26603 O5* G B1238 102.584 -50.384 6.446 1.00 0.00 O ATOM 26604 C5* G B1238 104.008 -50.425 6.245 1.00 0.00 C ATOM 26605 C4* G B1238 104.323 -50.987 4.874 1.00 0.00 C ATOM 26606 O4* G B1238 103.945 -52.395 4.845 1.00 0.00 O ATOM 26607 C3* G B1238 103.546 -50.376 3.708 1.00 0.00 C ATOM 26608 O3* G B1238 104.146 -49.205 3.251 1.00 0.00 O ATOM 26609 C2* G B1238 103.581 -51.499 2.674 1.00 0.00 C ATOM 26610 O2* G B1238 104.854 -51.569 2.053 1.00 0.00 O ATOM 26611 C1* G B1238 103.451 -52.733 3.559 1.00 0.00 C ATOM 26612 N9 G B1238 102.050 -53.211 3.718 1.00 0.00 N ATOM 26613 C8 G B1238 101.213 -53.107 4.806 1.00 0.00 C ATOM 26614 N7 G B1238 100.028 -53.637 4.619 1.00 0.00 N ATOM 26615 C5 G B1238 100.085 -54.129 3.317 1.00 0.00 C ATOM 26616 C6 G B1238 99.102 -54.810 2.552 1.00 0.00 C ATOM 26617 O6 G B1238 97.959 -55.125 2.874 1.00 0.00 O ATOM 26618 N1 G B1238 99.579 -55.129 1.275 1.00 0.00 N ATOM 26619 C2 G B1238 100.841 -54.832 0.795 1.00 0.00 C ATOM 26620 N2 G B1238 101.102 -55.221 -0.452 1.00 0.00 N ATOM 26621 N3 G B1238 101.761 -54.191 1.513 1.00 0.00 N ATOM 26622 C4 G B1238 101.316 -53.876 2.758 1.00 0.00 C ATOM 26623 P G B1239 103.199 -48.004 2.683 1.00 0.00 P ATOM 26624 O1P G B1239 103.969 -46.742 2.596 1.00 0.00 O ATOM 26625 O2P G B1239 101.951 -47.946 3.474 1.00 0.00 O ATOM 26626 O5* G B1239 102.881 -48.545 1.210 1.00 0.00 O ATOM 26627 C5* G B1239 103.971 -48.763 0.295 1.00 0.00 C ATOM 26628 C4* G B1239 103.457 -49.392 -0.986 1.00 0.00 C ATOM 26629 O4* G B1239 102.992 -50.742 -0.697 1.00 0.00 O ATOM 26630 C3* G B1239 102.240 -48.713 -1.617 1.00 0.00 C ATOM 26631 O3* G B1239 102.612 -47.636 -2.418 1.00 0.00 O ATOM 26632 C2* G B1239 101.617 -49.853 -2.419 1.00 0.00 C ATOM 26633 O2* G B1239 102.351 -50.091 -3.606 1.00 0.00 O ATOM 26634 C1* G B1239 101.862 -51.044 -1.499 1.00 0.00 C ATOM 26635 N9 G B1239 100.721 -51.345 -0.588 1.00 0.00 N ATOM 26636 C8 G B1239 100.601 -51.113 0.764 1.00 0.00 C ATOM 26637 N7 G B1239 99.455 -51.498 1.272 1.00 0.00 N ATOM 26638 C5 G B1239 98.767 -52.020 0.177 1.00 0.00 C ATOM 26639 C6 G B1239 97.469 -52.591 0.103 1.00 0.00 C ATOM 26640 O6 G B1239 96.647 -52.756 0.999 1.00 0.00 O ATOM 26641 N1 G B1239 97.164 -52.995 -1.205 1.00 0.00 N ATOM 26642 C2 G B1239 98.002 -52.863 -2.296 1.00 0.00 C ATOM 26643 N2 G B1239 97.524 -53.311 -3.459 1.00 0.00 N ATOM 26644 N3 G B1239 99.218 -52.326 -2.225 1.00 0.00 N ATOM 26645 C4 G B1239 99.532 -51.931 -0.962 1.00 0.00 C ATOM 26646 P U B1240 101.623 -46.340 -2.502 1.00 0.00 P ATOM 26647 O1P U B1240 102.343 -45.184 -3.084 1.00 0.00 O ATOM 26648 O2P U B1240 100.997 -46.113 -1.181 1.00 0.00 O ATOM 26649 O5* U B1240 100.524 -46.868 -3.537 1.00 0.00 O ATOM 26650 C5* U B1240 100.938 -47.239 -4.865 1.00 0.00 C ATOM 26651 C4* U B1240 99.769 -47.822 -5.629 1.00 0.00 C ATOM 26652 O4* U B1240 99.405 -49.101 -5.028 1.00 0.00 O ATOM 26653 C3* U B1240 98.471 -47.013 -5.583 1.00 0.00 C ATOM 26654 O3* U B1240 98.461 -46.010 -6.548 1.00 0.00 O ATOM 26655 C2* U B1240 97.416 -48.089 -5.840 1.00 0.00 C ATOM 26656 O2* U B1240 97.381 -48.443 -7.212 1.00 0.00 O ATOM 26657 C1* U B1240 97.999 -49.280 -5.091 1.00 0.00 C ATOM 26658 N1 U B1240 97.490 -49.419 -3.697 1.00 0.00 N ATOM 26659 C2 U B1240 96.206 -49.880 -3.542 1.00 0.00 C ATOM 26660 O2 U B1240 95.487 -50.173 -4.484 1.00 0.00 O ATOM 26661 N3 U B1240 95.769 -49.995 -2.236 1.00 0.00 N ATOM 26662 C4 U B1240 96.494 -49.693 -1.102 1.00 0.00 C ATOM 26663 O4 U B1240 95.997 -49.837 0.016 1.00 0.00 O ATOM 26664 C5 U B1240 97.831 -49.216 -1.365 1.00 0.00 C ATOM 26665 C6 U B1240 98.280 -49.093 -2.627 1.00 0.00 C ATOM 26666 P A B1241 99.122 -44.558 -5.486 1.00 0.00 P ATOM 26667 O1P A B1241 98.497 -43.305 -5.970 1.00 0.00 O ATOM 26668 O2P A B1241 100.601 -44.605 -5.550 1.00 0.00 O ATOM 26669 O5* A B1241 98.671 -44.869 -3.657 1.00 0.00 O ATOM 26670 C5* A B1241 98.747 -45.448 -2.217 1.00 0.00 C ATOM 26671 C4* A B1241 98.116 -45.131 -0.653 1.00 0.00 C ATOM 26672 O4* A B1241 97.055 -46.036 -0.224 1.00 0.00 O ATOM 26673 C3* A B1241 98.930 -44.887 0.620 1.00 0.00 C ATOM 26674 O3* A B1241 99.881 -43.751 1.041 1.00 0.00 O ATOM 26675 C2* A B1241 97.843 -44.873 1.698 1.00 0.00 C ATOM 26676 O2* A B1241 97.136 -43.646 1.676 1.00 0.00 O ATOM 26677 C1* A B1241 96.891 -45.945 1.182 1.00 0.00 C ATOM 26678 N9 A B1241 97.128 -47.457 1.837 1.00 0.00 N ATOM 26679 C8 A B1241 97.454 -48.629 1.189 1.00 0.00 C ATOM 26680 N7 A B1241 97.728 -49.614 1.989 1.00 0.00 N ATOM 26681 C5 A B1241 97.576 -49.067 3.254 1.00 0.00 C ATOM 26682 C6 A B1241 97.725 -49.607 4.546 1.00 0.00 C ATOM 26683 N6 A B1241 98.082 -50.877 4.777 1.00 0.00 N ATOM 26684 N1 A B1241 97.496 -48.788 5.585 1.00 0.00 N ATOM 26685 C2 A B1241 97.147 -47.530 5.350 1.00 0.00 C ATOM 26686 N3 A B1241 96.975 -46.918 4.198 1.00 0.00 N ATOM 26687 C4 A B1241 97.208 -47.755 3.170 1.00 0.00 C ATOM 26688 P U B1242 100.602 -44.085 2.741 1.00 0.00 P ATOM 26689 O1P U B1242 101.822 -43.263 2.900 1.00 0.00 O ATOM 26690 O2P U B1242 100.784 -45.543 2.905 1.00 0.00 O ATOM 26691 O5* U B1242 99.303 -43.552 3.977 1.00 0.00 O ATOM 26692 C5* U B1242 99.244 -42.924 5.350 1.00 0.00 C ATOM 26693 C4* U B1242 97.848 -42.070 5.862 1.00 0.00 C ATOM 26694 O4* U B1242 96.933 -43.199 5.946 1.00 0.00 O ATOM 26695 C3* U B1242 97.739 -41.407 7.240 1.00 0.00 C ATOM 26696 O3* U B1242 97.932 -39.884 7.695 1.00 0.00 O ATOM 26697 C2* U B1242 96.263 -41.597 7.568 1.00 0.00 C ATOM 26698 O2* U B1242 95.457 -40.678 6.840 1.00 0.00 O ATOM 26699 C1* U B1242 95.990 -42.980 6.984 1.00 0.00 C ATOM 26700 N1 U B1242 96.114 -44.250 8.091 1.00 0.00 N ATOM 26701 C2 U B1242 95.852 -43.957 9.409 1.00 0.00 C ATOM 26702 O2 U B1242 95.519 -42.849 9.790 1.00 0.00 O ATOM 26703 N3 U B1242 95.988 -45.014 10.288 1.00 0.00 N ATOM 26704 C4 U B1242 96.361 -46.305 9.970 1.00 0.00 C ATOM 26705 O4 U B1242 96.451 -47.172 10.842 1.00 0.00 O ATOM 26706 C5 U B1242 96.617 -46.513 8.563 1.00 0.00 C ATOM 26707 C6 U B1242 96.492 -45.502 7.684 1.00 0.00 C ATOM 26708 P C B1243 98.512 -38.286 6.965 1.00 0.00 P ATOM 26709 O1P C B1243 99.732 -37.958 7.737 1.00 0.00 O ATOM 26710 O2P C B1243 97.566 -37.168 6.749 1.00 0.00 O ATOM 26711 O5* C B1243 98.922 -38.928 5.558 1.00 0.00 O ATOM 26712 C5* C B1243 100.162 -39.653 5.456 1.00 0.00 C ATOM 26713 C4* C B1243 100.286 -40.276 4.080 1.00 0.00 C ATOM 26714 O4* C B1243 99.281 -41.322 3.944 1.00 0.00 O ATOM 26715 C3* C B1243 100.008 -39.345 2.898 1.00 0.00 C ATOM 26716 O3* C B1243 101.138 -38.608 2.553 1.00 0.00 O ATOM 26717 C2* C B1243 99.588 -40.330 1.809 1.00 0.00 C ATOM 26718 O2* C B1243 100.720 -41.000 1.271 1.00 0.00 O ATOM 26719 C1* C B1243 98.801 -41.360 2.612 1.00 0.00 C ATOM 26720 N1 C B1243 97.335 -41.099 2.643 1.00 0.00 N ATOM 26721 C2 C B1243 96.603 -41.369 1.491 1.00 0.00 C ATOM 26722 O2 C B1243 97.194 -41.807 0.496 1.00 0.00 O ATOM 26723 N3 C B1243 95.265 -41.137 1.498 1.00 0.00 N ATOM 26724 C4 C B1243 94.660 -40.663 2.593 1.00 0.00 C ATOM 26725 N4 C B1243 93.354 -40.456 2.552 1.00 0.00 N ATOM 26726 C5 C B1243 95.395 -40.380 3.791 1.00 0.00 C ATOM 26727 C6 C B1243 96.731 -40.617 3.763 1.00 0.00 C ATOM 26728 P A B1244 100.941 -37.089 1.985 1.00 0.00 P ATOM 26729 O1P A B1244 102.225 -36.357 2.027 1.00 0.00 O ATOM 26730 O2P A B1244 99.810 -36.444 2.692 1.00 0.00 O ATOM 26731 O5* A B1244 100.532 -37.384 0.466 1.00 0.00 O ATOM 26732 C5* A B1244 101.459 -38.092 -0.379 1.00 0.00 C ATOM 26733 C4* A B1244 100.820 -38.370 -1.725 1.00 0.00 C ATOM 26734 O4* A B1244 99.742 -39.329 -1.547 1.00 0.00 O ATOM 26735 C3* A B1244 100.146 -37.176 -2.401 1.00 0.00 C ATOM 26736 O3* A B1244 101.063 -36.404 -3.112 1.00 0.00 O ATOM 26737 C2* A B1244 99.123 -37.860 -3.309 1.00 0.00 C ATOM 26738 O2* A B1244 99.755 -38.408 -4.454 1.00 0.00 O ATOM 26739 C1* A B1244 98.682 -39.034 -2.444 1.00 0.00 C ATOM 26740 N9 A B1244 97.461 -38.754 -1.635 1.00 0.00 N ATOM 26741 C8 A B1244 97.352 -38.516 -0.281 1.00 0.00 C ATOM 26742 N7 A B1244 96.134 -38.308 0.118 1.00 0.00 N ATOM 26743 C5 A B1244 95.376 -38.411 -1.040 1.00 0.00 C ATOM 26744 C6 A B1244 94.000 -38.288 -1.283 1.00 0.00 C ATOM 26745 N6 A B1244 93.100 -38.023 -0.326 1.00 0.00 N ATOM 26746 N1 A B1244 93.581 -38.451 -2.551 1.00 0.00 N ATOM 26747 C2 A B1244 94.481 -38.714 -3.498 1.00 0.00 C ATOM 26748 N3 A B1244 95.784 -38.851 -3.390 1.00 0.00 N ATOM 26749 C4 A B1244 96.178 -38.684 -2.109 1.00 0.00 C ATOM 26750 P G B1245 100.832 -34.789 -3.190 1.00 0.00 P ATOM 26751 O1P G B1245 102.068 -34.117 -3.654 1.00 0.00 O ATOM 26752 O2P G B1245 100.277 -34.305 -1.907 1.00 0.00 O ATOM 26753 O5* G B1245 99.712 -34.702 -4.331 1.00 0.00 O ATOM 26754 C5* G B1245 100.012 -35.206 -5.646 1.00 0.00 C ATOM 26755 C4* G B1245 98.778 -35.138 -6.522 1.00 0.00 C ATOM 26756 O4* G B1245 97.790 -36.088 -6.022 1.00 0.00 O ATOM 26757 C3* G B1245 98.032 -33.801 -6.521 1.00 0.00 C ATOM 26758 O3* G B1245 98.597 -32.901 -7.426 1.00 0.00 O ATOM 26759 C2* G B1245 96.618 -34.224 -6.913 1.00 0.00 C ATOM 26760 O2* G B1245 96.539 -34.494 -8.303 1.00 0.00 O ATOM 26761 C1* G B1245 96.486 -35.561 -6.192 1.00 0.00 C ATOM 26762 N9 G B1245 95.851 -35.454 -4.848 1.00 0.00 N ATOM 26763 C8 G B1245 96.434 -35.545 -3.601 1.00 0.00 C ATOM 26764 N7 G B1245 95.589 -35.407 -2.609 1.00 0.00 N ATOM 26765 C5 G B1245 94.363 -35.213 -3.238 1.00 0.00 C ATOM 26766 C6 G B1245 93.071 -35.003 -2.687 1.00 0.00 C ATOM 26767 O6 G B1245 92.741 -34.947 -1.507 1.00 0.00 O ATOM 26768 N1 G B1245 92.105 -34.852 -3.687 1.00 0.00 N ATOM 26769 C2 G B1245 92.348 -34.894 -5.046 1.00 0.00 C ATOM 26770 N2 G B1245 91.291 -34.724 -5.841 1.00 0.00 N ATOM 26771 N3 G B1245 93.560 -35.090 -5.567 1.00 0.00 N ATOM 26772 C4 G B1245 94.513 -35.241 -4.606 1.00 0.00 C ATOM 26773 P A B1246 98.581 -31.312 -7.060 1.00 0.00 P ATOM 26774 O1P A B1246 99.526 -30.578 -7.933 1.00 0.00 O ATOM 26775 O2P A B1246 98.784 -31.138 -5.605 1.00 0.00 O ATOM 26776 O5* A B1246 97.078 -30.928 -7.448 1.00 0.00 O ATOM 26777 C5* A B1246 96.639 -31.107 -8.808 1.00 0.00 C ATOM 26778 C4* A B1246 95.160 -30.803 -8.919 1.00 0.00 C ATOM 26779 O4* A B1246 94.412 -31.822 -8.193 1.00 0.00 O ATOM 26780 C3* A B1246 94.700 -29.489 -8.284 1.00 0.00 C ATOM 26781 O3* A B1246 94.880 -28.413 -9.150 1.00 0.00 O ATOM 26782 C2* A B1246 93.226 -29.772 -7.996 1.00 0.00 C ATOM 26783 O2* A B1246 92.457 -29.700 -9.183 1.00 0.00 O ATOM 26784 C1* A B1246 93.269 -31.239 -7.583 1.00 0.00 C ATOM 26785 N9 A B1246 93.378 -31.445 -6.112 1.00 0.00 N ATOM 26786 C8 A B1246 94.467 -31.844 -5.370 1.00 0.00 C ATOM 26787 N7 A B1246 94.235 -31.930 -4.098 1.00 0.00 N ATOM 26788 C5 A B1246 92.902 -31.564 -3.973 1.00 0.00 C ATOM 26789 C6 A B1246 92.050 -31.447 -2.866 1.00 0.00 C ATOM 26790 N6 A B1246 92.434 -31.708 -1.607 1.00 0.00 N ATOM 26791 N1 A B1246 90.783 -31.060 -3.097 1.00 0.00 N ATOM 26792 C2 A B1246 90.406 -30.802 -4.349 1.00 0.00 C ATOM 26793 N3 A B1246 91.111 -30.872 -5.456 1.00 0.00 N ATOM 26794 C4 A B1246 92.376 -31.265 -5.198 1.00 0.00 C ATOM 26795 P A B1247 95.264 -26.956 -8.524 1.00 0.00 P ATOM 26796 O1P A B1247 95.769 -26.057 -9.587 1.00 0.00 O ATOM 26797 O2P A B1247 96.160 -27.141 -7.359 1.00 0.00 O ATOM 26798 O5* A B1247 93.827 -26.457 -8.027 1.00 0.00 O ATOM 26799 C5* A B1247 92.772 -26.295 -8.993 1.00 0.00 C ATOM 26800 C4* A B1247 91.477 -25.936 -8.291 1.00 0.00 C ATOM 26801 O4* A B1247 91.034 -27.083 -7.507 1.00 0.00 O ATOM 26802 C3* A B1247 91.566 -24.804 -7.268 1.00 0.00 C ATOM 26803 O3* A B1247 91.459 -23.555 -7.879 1.00 0.00 O ATOM 26804 C2* A B1247 90.388 -25.110 -6.345 1.00 0.00 C ATOM 26805 O2* A B1247 89.163 -24.736 -6.955 1.00 0.00 O ATOM 26806 C1* A B1247 90.419 -26.635 -6.310 1.00 0.00 C ATOM 26807 N9 A B1247 91.187 -27.190 -5.161 1.00 0.00 N ATOM 26808 C8 A B1247 92.428 -27.782 -5.155 1.00 0.00 C ATOM 26809 N7 A B1247 92.825 -28.166 -3.980 1.00 0.00 N ATOM 26810 C5 A B1247 91.780 -27.807 -3.142 1.00 0.00 C ATOM 26811 C6 A B1247 91.587 -27.943 -1.759 1.00 0.00 C ATOM 26812 N6 A B1247 92.485 -28.507 -0.937 1.00 0.00 N ATOM 26813 N1 A B1247 90.432 -27.481 -1.246 1.00 0.00 N ATOM 26814 C2 A B1247 89.544 -26.923 -2.066 1.00 0.00 C ATOM 26815 N3 A B1247 89.613 -26.741 -3.365 1.00 0.00 N ATOM 26816 C4 A B1247 90.782 -27.212 -3.853 1.00 0.00 C ATOM 26817 P G B1248 92.876 -22.529 -8.470 1.00 0.00 P ATOM 26818 O1P G B1248 92.494 -21.859 -9.735 1.00 0.00 O ATOM 26819 O2P G B1248 94.128 -23.315 -8.508 1.00 0.00 O ATOM 26820 O5* G B1248 92.875 -21.241 -7.148 1.00 0.00 O ATOM 26821 C5* G B1248 93.294 -19.841 -7.326 1.00 0.00 C ATOM 26822 C4* G B1248 93.414 -18.888 -5.981 1.00 0.00 C ATOM 26823 O4* G B1248 94.559 -18.961 -5.084 1.00 0.00 O ATOM 26824 C3* G B1248 92.265 -18.442 -5.077 1.00 0.00 C ATOM 26825 O3* G B1248 90.956 -19.135 -5.680 1.00 0.00 O ATOM 26826 C2* G B1248 92.591 -19.161 -3.767 1.00 0.00 C ATOM 26827 O2* G B1248 92.254 -20.535 -3.851 1.00 0.00 O ATOM 26828 C1* G B1248 94.113 -19.077 -3.743 1.00 0.00 C ATOM 26829 N9 G B1248 94.752 -17.739 -2.834 1.00 0.00 N ATOM 26830 C8 G B1248 94.749 -16.396 -3.145 1.00 0.00 C ATOM 26831 N7 G B1248 95.425 -15.652 -2.307 1.00 0.00 N ATOM 26832 C5 G B1248 95.911 -16.566 -1.368 1.00 0.00 C ATOM 26833 C6 G B1248 96.710 -16.353 -0.215 1.00 0.00 C ATOM 26834 O6 G B1248 97.164 -15.299 0.220 1.00 0.00 O ATOM 26835 N1 G B1248 96.972 -17.556 0.452 1.00 0.00 N ATOM 26836 C2 G B1248 96.519 -18.801 0.058 1.00 0.00 C ATOM 26837 N2 G B1248 96.877 -19.829 0.832 1.00 0.00 N ATOM 26838 N3 G B1248 95.767 -18.994 -1.023 1.00 0.00 N ATOM 26839 C4 G B1248 95.506 -17.842 -1.686 1.00 0.00 C ATOM 26840 P U B1249 90.148 -18.649 -7.276 1.00 0.00 P ATOM 26841 O1P U B1249 90.756 -17.385 -7.744 1.00 0.00 O ATOM 26842 O2P U B1249 88.678 -18.635 -7.114 1.00 0.00 O ATOM 26843 O5* U B1249 90.541 -20.028 -8.442 1.00 0.00 O ATOM 26844 C5* U B1249 89.558 -20.560 -9.399 1.00 0.00 C ATOM 26845 C4* U B1249 89.376 -19.767 -10.825 1.00 0.00 C ATOM 26846 O4* U B1249 90.581 -19.768 -11.650 1.00 0.00 O ATOM 26847 C3* U B1249 88.243 -19.992 -11.827 1.00 0.00 C ATOM 26848 O3* U B1249 86.804 -20.244 -11.689 1.00 0.00 O ATOM 26849 C2* U B1249 88.740 -19.218 -13.047 1.00 0.00 C ATOM 26850 O2* U B1249 88.572 -17.821 -12.862 1.00 0.00 O ATOM 26851 C1* U B1249 90.241 -19.488 -12.995 1.00 0.00 C ATOM 26852 N1 U B1249 90.758 -20.780 -13.954 1.00 0.00 N ATOM 26853 C2 U B1249 91.573 -20.481 -15.023 1.00 0.00 C ATOM 26854 O2 U B1249 91.957 -19.349 -15.262 1.00 0.00 O ATOM 26855 N3 U B1249 91.932 -21.552 -15.809 1.00 0.00 N ATOM 26856 C4 U B1249 91.556 -22.870 -15.624 1.00 0.00 C ATOM 26857 O4 U B1249 91.942 -23.746 -16.404 1.00 0.00 O ATOM 26858 C5 U B1249 90.703 -23.085 -14.481 1.00 0.00 C ATOM 26859 C6 U B1249 90.335 -22.061 -13.699 1.00 0.00 C ATOM 26860 P G B1250 85.437 -19.060 -11.423 1.00 0.00 P ATOM 26861 O1P G B1250 85.001 -19.493 -10.075 1.00 0.00 O ATOM 26862 O2P G B1250 84.368 -18.936 -12.440 1.00 0.00 O ATOM 26863 O5* G B1250 86.338 -17.457 -11.597 1.00 0.00 O ATOM 26864 C5* G B1250 86.281 -15.981 -11.736 1.00 0.00 C ATOM 26865 C4* G B1250 85.045 -15.289 -12.581 1.00 0.00 C ATOM 26866 O4* G B1250 84.626 -16.203 -13.638 1.00 0.00 O ATOM 26867 C3* G B1250 83.730 -14.733 -12.034 1.00 0.00 C ATOM 26868 O3* G B1250 83.486 -13.598 -11.042 1.00 0.00 O ATOM 26869 C2* G B1250 82.873 -14.630 -13.292 1.00 0.00 C ATOM 26870 O2* G B1250 83.255 -13.509 -14.073 1.00 0.00 O ATOM 26871 C1* G B1250 83.310 -15.878 -14.061 1.00 0.00 C ATOM 26872 N9 G B1250 82.306 -17.257 -13.821 1.00 0.00 N ATOM 26873 C8 G B1250 82.268 -18.439 -14.529 1.00 0.00 C ATOM 26874 N7 G B1250 81.357 -19.284 -14.102 1.00 0.00 N ATOM 26875 C5 G B1250 80.748 -18.609 -13.044 1.00 0.00 C ATOM 26876 C6 G B1250 79.686 -19.019 -12.190 1.00 0.00 C ATOM 26877 O6 G B1250 79.062 -20.070 -12.193 1.00 0.00 O ATOM 26878 N1 G B1250 79.386 -18.025 -11.251 1.00 0.00 N ATOM 26879 C2 G B1250 80.015 -16.804 -11.146 1.00 0.00 C ATOM 26880 N2 G B1250 79.577 -15.990 -10.177 1.00 0.00 N ATOM 26881 N3 G B1250 81.012 -16.422 -11.944 1.00 0.00 N ATOM 26882 C4 G B1250 81.326 -17.372 -12.865 1.00 0.00 C ATOM 26883 P C B1251 84.179 -11.918 -11.029 1.00 0.00 P ATOM 26884 O1P C B1251 83.110 -10.896 -10.989 1.00 0.00 O ATOM 26885 O2P C B1251 85.305 -11.641 -11.942 1.00 0.00 O ATOM 26886 O5* C B1251 84.758 -12.257 -9.314 1.00 0.00 O ATOM 26887 C5* C B1251 84.794 -11.763 -7.948 1.00 0.00 C ATOM 26888 C4* C B1251 85.610 -12.676 -6.901 1.00 0.00 C ATOM 26889 O4* C B1251 87.037 -12.447 -6.700 1.00 0.00 O ATOM 26890 C3* C B1251 85.145 -13.283 -5.573 1.00 0.00 C ATOM 26891 O3* C B1251 84.643 -12.625 -4.223 1.00 0.00 O ATOM 26892 C2* C B1251 86.349 -14.136 -5.175 1.00 0.00 C ATOM 26893 O2* C B1251 86.393 -15.329 -5.939 1.00 0.00 O ATOM 26894 C1* C B1251 87.512 -13.269 -5.645 1.00 0.00 C ATOM 26895 N1 C B1251 88.174 -12.272 -4.451 1.00 0.00 N ATOM 26896 C2 C B1251 88.881 -11.149 -4.866 1.00 0.00 C ATOM 26897 O2 C B1251 89.031 -10.947 -6.076 1.00 0.00 O ATOM 26898 N3 C B1251 89.383 -10.307 -3.924 1.00 0.00 N ATOM 26899 C4 C B1251 89.199 -10.555 -2.618 1.00 0.00 C ATOM 26900 N4 C B1251 89.707 -9.710 -1.739 1.00 0.00 N ATOM 26901 C5 C B1251 88.474 -11.712 -2.173 1.00 0.00 C ATOM 26902 C6 C B1251 87.985 -12.540 -3.131 1.00 0.00 C ATOM 26903 P G B1252 84.576 -13.857 -2.886 1.00 0.00 P ATOM 26904 O1P G B1252 83.777 -13.309 -1.769 1.00 0.00 O ATOM 26905 O2P G B1252 85.888 -14.431 -2.516 1.00 0.00 O ATOM 26906 O5* G B1252 83.604 -14.948 -3.994 1.00 0.00 O ATOM 26907 C5* G B1252 82.493 -15.479 -4.823 1.00 0.00 C ATOM 26908 C4* G B1252 82.263 -17.096 -4.713 1.00 0.00 C ATOM 26909 O4* G B1252 83.490 -17.846 -4.490 1.00 0.00 O ATOM 26910 C3* G B1252 81.161 -18.153 -4.615 1.00 0.00 C ATOM 26911 O3* G B1252 79.630 -18.112 -4.399 1.00 0.00 O ATOM 26912 C2* G B1252 81.831 -19.373 -5.244 1.00 0.00 C ATOM 26913 O2* G B1252 81.868 -19.254 -6.656 1.00 0.00 O ATOM 26914 C1* G B1252 83.268 -19.227 -4.751 1.00 0.00 C ATOM 26915 N9 G B1252 83.614 -20.079 -3.376 1.00 0.00 N ATOM 26916 C8 G B1252 84.823 -20.240 -2.739 1.00 0.00 C ATOM 26917 N7 G B1252 84.803 -21.129 -1.773 1.00 0.00 N ATOM 26918 C5 G B1252 83.484 -21.588 -1.770 1.00 0.00 C ATOM 26919 C6 G B1252 82.858 -22.557 -0.952 1.00 0.00 C ATOM 26920 O6 G B1252 83.340 -23.225 -0.036 1.00 0.00 O ATOM 26921 N1 G B1252 81.507 -22.723 -1.288 1.00 0.00 N ATOM 26922 C2 G B1252 80.851 -22.030 -2.291 1.00 0.00 C ATOM 26923 N2 G B1252 79.559 -22.328 -2.457 1.00 0.00 N ATOM 26924 N3 G B1252 81.441 -21.119 -3.060 1.00 0.00 N ATOM 26925 C4 G B1252 82.755 -20.951 -2.744 1.00 0.00 C ATOM 26926 P A B1253 78.515 -19.398 -5.175 1.00 0.00 P ATOM 26927 O1P A B1253 79.168 -20.047 -6.334 1.00 0.00 O ATOM 26928 O2P A B1253 77.210 -18.754 -5.447 1.00 0.00 O ATOM 26929 O5* A B1253 78.236 -20.648 -3.833 1.00 0.00 O ATOM 26930 C5* A B1253 77.580 -21.949 -3.537 1.00 0.00 C ATOM 26931 C4* A B1253 75.912 -22.052 -3.645 1.00 0.00 C ATOM 26932 O4* A B1253 75.633 -20.989 -4.606 1.00 0.00 O ATOM 26933 C3* A B1253 75.199 -23.273 -4.230 1.00 0.00 C ATOM 26934 O3* A B1253 74.982 -24.556 -3.200 1.00 0.00 O ATOM 26935 C2* A B1253 73.947 -22.650 -4.841 1.00 0.00 C ATOM 26936 O2* A B1253 73.003 -22.328 -3.834 1.00 0.00 O ATOM 26937 C1* A B1253 74.490 -21.325 -5.378 1.00 0.00 C ATOM 26938 N9 A B1253 74.937 -21.355 -7.000 1.00 0.00 N ATOM 26939 C8 A B1253 75.960 -22.049 -7.593 1.00 0.00 C ATOM 26940 N7 A B1253 76.026 -21.895 -8.881 1.00 0.00 N ATOM 26941 C5 A B1253 74.976 -21.039 -9.167 1.00 0.00 C ATOM 26942 C6 A B1253 74.499 -20.487 -10.369 1.00 0.00 C ATOM 26943 N6 A B1253 75.058 -20.731 -11.564 1.00 0.00 N ATOM 26944 N1 A B1253 73.435 -19.673 -10.298 1.00 0.00 N ATOM 26945 C2 A B1253 72.883 -19.437 -9.107 1.00 0.00 C ATOM 26946 N3 A B1253 73.232 -19.892 -7.925 1.00 0.00 N ATOM 26947 C4 A B1253 74.308 -20.708 -8.024 1.00 0.00 C ATOM 26948 P A B1254 74.160 -25.012 -1.499 1.00 0.00 P ATOM 26949 O1P A B1254 74.304 -26.464 -1.246 1.00 0.00 O ATOM 26950 O2P A B1254 72.772 -24.507 -1.567 1.00 0.00 O ATOM 26951 O5* A B1254 75.221 -24.254 -0.060 1.00 0.00 O ATOM 26952 C5* A B1254 76.246 -23.286 0.753 1.00 0.00 C ATOM 26953 C4* A B1254 77.338 -21.998 0.229 1.00 0.00 C ATOM 26954 O4* A B1254 76.966 -21.618 -1.132 1.00 0.00 O ATOM 26955 C3* A B1254 77.620 -20.663 0.920 1.00 0.00 C ATOM 26956 O3* A B1254 76.797 -19.814 1.959 1.00 0.00 O ATOM 26957 C2* A B1254 78.257 -19.846 -0.204 1.00 0.00 C ATOM 26958 O2* A B1254 79.599 -20.248 -0.415 1.00 0.00 O ATOM 26959 C1* A B1254 77.456 -20.311 -1.416 1.00 0.00 C ATOM 26960 N9 A B1254 76.175 -19.352 -1.799 1.00 0.00 N ATOM 26961 C8 A B1254 75.145 -19.618 -2.671 1.00 0.00 C ATOM 26962 N7 A B1254 74.159 -18.780 -2.589 1.00 0.00 N ATOM 26963 C5 A B1254 74.550 -17.893 -1.601 1.00 0.00 C ATOM 26964 C6 A B1254 73.935 -16.762 -1.041 1.00 0.00 C ATOM 26965 N6 A B1254 72.729 -16.312 -1.421 1.00 0.00 N ATOM 26966 N1 A B1254 74.601 -16.110 -0.073 1.00 0.00 N ATOM 26967 C2 A B1254 75.797 -16.557 0.303 1.00 0.00 C ATOM 26968 N3 A B1254 76.471 -17.596 -0.143 1.00 0.00 N ATOM 26969 C4 A B1254 75.778 -18.231 -1.114 1.00 0.00 C ATOM 26970 P U B1255 77.641 -18.444 2.887 1.00 0.00 P ATOM 26971 O1P U B1255 76.831 -17.208 2.931 1.00 0.00 O ATOM 26972 O2P U B1255 79.012 -18.298 2.346 1.00 0.00 O ATOM 26973 O5* U B1255 77.618 -19.202 4.572 1.00 0.00 O ATOM 26974 C5* U B1255 77.635 -19.914 5.872 1.00 0.00 C ATOM 26975 C4* U B1255 79.098 -20.574 6.094 1.00 0.00 C ATOM 26976 O4* U B1255 80.132 -19.708 5.549 1.00 0.00 O ATOM 26977 C3* U B1255 79.845 -21.434 7.118 1.00 0.00 C ATOM 26978 O3* U B1255 79.779 -21.912 8.558 1.00 0.00 O ATOM 26979 C2* U B1255 81.203 -21.628 6.453 1.00 0.00 C ATOM 26980 O2* U B1255 81.118 -22.587 5.410 1.00 0.00 O ATOM 26981 C1* U B1255 81.411 -20.270 5.786 1.00 0.00 C ATOM 26982 N1 U B1255 82.325 -19.157 6.705 1.00 0.00 N ATOM 26983 C2 U B1255 83.077 -18.236 6.007 1.00 0.00 C ATOM 26984 O2 U B1255 83.049 -18.148 4.795 1.00 0.00 O ATOM 26985 N3 U B1255 83.875 -17.416 6.782 1.00 0.00 N ATOM 26986 C4 U B1255 83.979 -17.433 8.156 1.00 0.00 C ATOM 26987 O4 U B1255 84.730 -16.647 8.736 1.00 0.00 O ATOM 26988 C5 U B1255 83.154 -18.433 8.793 1.00 0.00 C ATOM 26989 C6 U B1255 82.369 -19.244 8.071 1.00 0.00 C ATOM 26990 P G B1256 79.513 -23.728 9.105 1.00 0.00 P ATOM 26991 O1P G B1256 78.391 -24.363 8.378 1.00 0.00 O ATOM 26992 O2P G B1256 79.246 -23.359 10.513 1.00 0.00 O ATOM 26993 O5* G B1256 80.808 -24.668 9.028 1.00 0.00 O ATOM 26994 C5* G B1256 81.797 -24.410 8.016 1.00 0.00 C ATOM 26995 C4* G B1256 82.986 -25.333 8.205 1.00 0.00 C ATOM 26996 O4* G B1256 83.673 -24.970 9.436 1.00 0.00 O ATOM 26997 C3* G B1256 82.656 -26.815 8.390 1.00 0.00 C ATOM 26998 O3* G B1256 82.483 -27.457 7.165 1.00 0.00 O ATOM 26999 C2* G B1256 83.876 -27.319 9.156 1.00 0.00 C ATOM 27000 O2* G B1256 84.985 -27.471 8.288 1.00 0.00 O ATOM 27001 C1* G B1256 84.182 -26.137 10.065 1.00 0.00 C ATOM 27002 N9 G B1256 83.558 -26.241 11.414 1.00 0.00 N ATOM 27003 C8 G B1256 82.473 -25.562 11.929 1.00 0.00 C ATOM 27004 N7 G B1256 82.176 -25.891 13.163 1.00 0.00 N ATOM 27005 C5 G B1256 83.128 -26.854 13.489 1.00 0.00 C ATOM 27006 C6 G B1256 83.316 -27.579 14.692 1.00 0.00 C ATOM 27007 O6 G B1256 82.672 -27.524 15.735 1.00 0.00 O ATOM 27008 N1 G B1256 84.405 -28.458 14.594 1.00 0.00 N ATOM 27009 C2 G B1256 85.203 -28.615 13.479 1.00 0.00 C ATOM 27010 N2 G B1256 86.193 -29.507 13.586 1.00 0.00 N ATOM 27011 N3 G B1256 85.026 -27.933 12.351 1.00 0.00 N ATOM 27012 C4 G B1256 83.976 -27.076 12.429 1.00 0.00 C ATOM 27013 P C B1257 81.394 -28.669 7.062 1.00 0.00 P ATOM 27014 O1P C B1257 81.092 -28.966 5.643 1.00 0.00 O ATOM 27015 O2P C B1257 80.226 -28.357 7.916 1.00 0.00 O ATOM 27016 O5* C B1257 82.225 -29.877 7.702 1.00 0.00 O ATOM 27017 C5* C B1257 83.455 -30.287 7.076 1.00 0.00 C ATOM 27018 C4* C B1257 84.134 -31.351 7.913 1.00 0.00 C ATOM 27019 O4* C B1257 84.585 -30.753 9.161 1.00 0.00 O ATOM 27020 C3* C B1257 83.246 -32.513 8.362 1.00 0.00 C ATOM 27021 O3* C B1257 83.154 -33.494 7.378 1.00 0.00 O ATOM 27022 C2* C B1257 83.967 -33.002 9.615 1.00 0.00 C ATOM 27023 O2* C B1257 85.119 -33.754 9.270 1.00 0.00 O ATOM 27024 C1* C B1257 84.458 -31.690 10.218 1.00 0.00 C ATOM 27025 N1 C B1257 83.533 -31.117 11.235 1.00 0.00 N ATOM 27026 C2 C B1257 83.481 -31.730 12.483 1.00 0.00 C ATOM 27027 O2 C B1257 84.196 -32.713 12.697 1.00 0.00 O ATOM 27028 N3 C B1257 82.642 -31.221 13.426 1.00 0.00 N ATOM 27029 C4 C B1257 81.881 -30.153 13.156 1.00 0.00 C ATOM 27030 N4 C B1257 81.081 -29.695 14.106 1.00 0.00 N ATOM 27031 C5 C B1257 81.919 -29.508 11.876 1.00 0.00 C ATOM 27032 C6 C B1257 82.763 -30.032 10.950 1.00 0.00 C ATOM 27033 P U B1258 81.752 -34.325 7.224 1.00 0.00 P ATOM 27034 O1P U B1258 81.719 -35.034 5.927 1.00 0.00 O ATOM 27035 O2P U B1258 80.614 -33.418 7.492 1.00 0.00 O ATOM 27036 O5* U B1258 81.898 -35.379 8.419 1.00 0.00 O ATOM 27037 C5* U B1258 83.004 -36.301 8.402 1.00 0.00 C ATOM 27038 C4* U B1258 83.015 -37.118 9.681 1.00 0.00 C ATOM 27039 O4* U B1258 83.339 -36.241 10.796 1.00 0.00 O ATOM 27040 C3* U B1258 81.681 -37.748 10.080 1.00 0.00 C ATOM 27041 O3* U B1258 81.474 -38.964 9.429 1.00 0.00 O ATOM 27042 C2* U B1258 81.843 -37.912 11.590 1.00 0.00 C ATOM 27043 O2* U B1258 82.683 -39.011 11.891 1.00 0.00 O ATOM 27044 C1* U B1258 82.620 -36.648 11.951 1.00 0.00 C ATOM 27045 N1 U B1258 81.755 -35.513 12.380 1.00 0.00 N ATOM 27046 C2 U B1258 81.191 -35.594 13.631 1.00 0.00 C ATOM 27047 O2 U B1258 81.376 -36.537 14.380 1.00 0.00 O ATOM 27048 N3 U B1258 80.397 -34.523 13.992 1.00 0.00 N ATOM 27049 C4 U B1258 80.121 -33.412 13.227 1.00 0.00 C ATOM 27050 O4 U B1258 79.392 -32.515 13.660 1.00 0.00 O ATOM 27051 C5 U B1258 80.756 -33.419 11.928 1.00 0.00 C ATOM 27052 C6 U B1258 81.535 -34.445 11.550 1.00 0.00 C ATOM 27053 P G B1259 79.951 -39.386 9.021 1.00 0.00 P ATOM 27054 O1P G B1259 79.973 -40.492 8.038 1.00 0.00 O ATOM 27055 O2P G B1259 79.197 -38.179 8.615 1.00 0.00 O ATOM 27056 O5* G B1259 79.402 -39.919 10.426 1.00 0.00 O ATOM 27057 C5* G B1259 80.055 -41.039 11.051 1.00 0.00 C ATOM 27058 C4* G B1259 79.453 -41.294 12.419 1.00 0.00 C ATOM 27059 O4* G B1259 79.796 -40.182 13.296 1.00 0.00 O ATOM 27060 C3* G B1259 77.928 -41.352 12.476 1.00 0.00 C ATOM 27061 O3* G B1259 77.451 -42.620 12.145 1.00 0.00 O ATOM 27062 C2* G B1259 77.645 -40.977 13.928 1.00 0.00 C ATOM 27063 O2* G B1259 77.921 -42.067 14.792 1.00 0.00 O ATOM 27064 C1* G B1259 78.721 -39.926 14.186 1.00 0.00 C ATOM 27065 N9 G B1259 78.259 -38.529 13.957 1.00 0.00 N ATOM 27066 C8 G B1259 78.547 -37.673 12.917 1.00 0.00 C ATOM 27067 N7 G B1259 77.975 -36.498 13.017 1.00 0.00 N ATOM 27068 C5 G B1259 77.253 -36.582 14.206 1.00 0.00 C ATOM 27069 C6 G B1259 76.429 -35.619 14.844 1.00 0.00 C ATOM 27070 O6 G B1259 76.160 -34.474 14.484 1.00 0.00 O ATOM 27071 N1 G B1259 75.889 -36.118 16.037 1.00 0.00 N ATOM 27072 C2 G B1259 76.113 -37.381 16.547 1.00 0.00 C ATOM 27073 N2 G B1259 75.504 -37.665 17.699 1.00 0.00 N ATOM 27074 N3 G B1259 76.887 -38.283 15.947 1.00 0.00 N ATOM 27075 C4 G B1259 77.420 -37.815 14.789 1.00 0.00 C ATOM 27076 P A B1260 76.029 -42.745 11.355 1.00 0.00 P ATOM 27077 O1P A B1260 75.880 -44.101 10.780 1.00 0.00 O ATOM 27078 O2P A B1260 75.896 -41.622 10.399 1.00 0.00 O ATOM 27079 O5* A B1260 74.996 -42.552 12.565 1.00 0.00 O ATOM 27080 C5* A B1260 75.018 -43.489 13.657 1.00 0.00 C ATOM 27081 C4* A B1260 74.055 -43.048 14.737 1.00 0.00 C ATOM 27082 O4* A B1260 74.556 -41.822 15.347 1.00 0.00 O ATOM 27083 C3* A B1260 72.647 -42.673 14.266 1.00 0.00 C ATOM 27084 O3* A B1260 71.832 -43.797 14.143 1.00 0.00 O ATOM 27085 C2* A B1260 72.183 -41.725 15.364 1.00 0.00 C ATOM 27086 O2* A B1260 71.816 -42.445 16.530 1.00 0.00 O ATOM 27087 C1* A B1260 73.470 -40.978 15.695 1.00 0.00 C ATOM 27088 N9 A B1260 73.627 -39.696 14.950 1.00 0.00 N ATOM 27089 C8 A B1260 74.456 -39.404 13.891 1.00 0.00 C ATOM 27090 N7 A B1260 74.353 -38.182 13.463 1.00 0.00 N ATOM 27091 C5 A B1260 73.393 -37.617 14.288 1.00 0.00 C ATOM 27092 C6 A B1260 72.830 -36.332 14.345 1.00 0.00 C ATOM 27093 N6 A B1260 73.176 -35.337 13.517 1.00 0.00 N ATOM 27094 N1 A B1260 71.899 -36.106 15.290 1.00 0.00 N ATOM 27095 C2 A B1260 71.561 -37.099 16.110 1.00 0.00 C ATOM 27096 N3 A B1260 72.013 -38.333 16.151 1.00 0.00 N ATOM 27097 C4 A B1260 72.944 -38.533 15.197 1.00 0.00 C ATOM 27098 P C B1261 70.703 -43.824 12.965 1.00 0.00 P ATOM 27099 O1P C B1261 70.208 -45.205 12.762 1.00 0.00 O ATOM 27100 O2P C B1261 71.230 -43.146 11.761 1.00 0.00 O ATOM 27101 O5* C B1261 69.557 -42.930 13.631 1.00 0.00 O ATOM 27102 C5* C B1261 68.962 -43.362 14.869 1.00 0.00 C ATOM 27103 C4* C B1261 67.998 -42.311 15.377 1.00 0.00 C ATOM 27104 O4* C B1261 68.752 -41.129 15.769 1.00 0.00 O ATOM 27105 C3* C B1261 66.988 -41.783 14.357 1.00 0.00 C ATOM 27106 O3* C B1261 65.874 -42.612 14.263 1.00 0.00 O ATOM 27107 C2* C B1261 66.654 -40.405 14.922 1.00 0.00 C ATOM 27108 O2* C B1261 65.776 -40.516 16.030 1.00 0.00 O ATOM 27109 C1* C B1261 68.005 -39.961 15.472 1.00 0.00 C ATOM 27110 N1 C B1261 68.800 -39.138 14.516 1.00 0.00 N ATOM 27111 C2 C B1261 68.398 -37.821 14.301 1.00 0.00 C ATOM 27112 O2 C B1261 67.410 -37.394 14.909 1.00 0.00 O ATOM 27113 N3 C B1261 69.109 -37.056 13.434 1.00 0.00 N ATOM 27114 C4 C B1261 70.172 -37.557 12.794 1.00 0.00 C ATOM 27115 N4 C B1261 70.831 -36.770 11.959 1.00 0.00 N ATOM 27116 C5 C B1261 70.599 -38.909 13.001 1.00 0.00 C ATOM 27117 C6 C B1261 69.878 -39.658 13.871 1.00 0.00 C ATOM 27118 P A B1262 65.256 -44.137 13.603 1.00 0.00 P ATOM 27119 O1P A B1262 65.788 -45.516 13.592 1.00 0.00 O ATOM 27120 O2P A B1262 64.397 -43.766 12.456 1.00 0.00 O ATOM 27121 O5* A B1262 64.475 -43.869 14.975 1.00 0.00 O ATOM 27122 C5* A B1262 65.162 -44.080 16.221 1.00 0.00 C ATOM 27123 C4* A B1262 64.285 -43.648 17.378 1.00 0.00 C ATOM 27124 O4* A B1262 64.120 -42.199 17.331 1.00 0.00 O ATOM 27125 C3* A B1262 62.851 -44.181 17.360 1.00 0.00 C ATOM 27126 O3* A B1262 62.772 -45.457 17.911 1.00 0.00 O ATOM 27127 C2* A B1262 62.109 -43.133 18.187 1.00 0.00 C ATOM 27128 O2* A B1262 62.371 -43.310 19.571 1.00 0.00 O ATOM 27129 C1* A B1262 62.815 -41.851 17.767 1.00 0.00 C ATOM 27130 N9 A B1262 62.137 -41.134 16.645 1.00 0.00 N ATOM 27131 C8 A B1262 62.509 -41.044 15.324 1.00 0.00 C ATOM 27132 N7 A B1262 61.698 -40.341 14.596 1.00 0.00 N ATOM 27133 C5 A B1262 60.716 -39.932 15.487 1.00 0.00 C ATOM 27134 C6 A B1262 59.559 -39.151 15.331 1.00 0.00 C ATOM 27135 N6 A B1262 59.181 -38.615 14.163 1.00 0.00 N ATOM 27136 N1 A B1262 58.804 -38.935 16.425 1.00 0.00 N ATOM 27137 C2 A B1262 59.186 -39.470 17.584 1.00 0.00 C ATOM 27138 N3 A B1262 60.237 -40.214 17.848 1.00 0.00 N ATOM 27139 C4 A B1262 60.977 -40.412 16.737 1.00 0.00 C ATOM 27140 P U B1263 61.224 -46.251 17.285 1.00 0.00 P ATOM 27141 O1P U B1263 60.806 -45.460 16.106 1.00 0.00 O ATOM 27142 O2P U B1263 60.189 -46.452 18.323 1.00 0.00 O ATOM 27143 O5* U B1263 61.939 -47.839 16.739 1.00 0.00 O ATOM 27144 C5* U B1263 61.933 -48.354 15.388 1.00 0.00 C ATOM 27145 C4* U B1263 60.554 -49.084 14.899 1.00 0.00 C ATOM 27146 O4* U B1263 60.729 -50.491 14.564 1.00 0.00 O ATOM 27147 C3* U B1263 59.232 -49.056 15.673 1.00 0.00 C ATOM 27148 O3* U B1263 58.633 -47.857 16.373 1.00 0.00 O ATOM 27149 C2* U B1263 58.415 -50.121 14.949 1.00 0.00 C ATOM 27150 O2* U B1263 57.934 -49.629 13.712 1.00 0.00 O ATOM 27151 C1* U B1263 59.479 -51.162 14.626 1.00 0.00 C ATOM 27152 N1 U B1263 59.604 -52.411 15.750 1.00 0.00 N ATOM 27153 C2 U B1263 58.434 -52.866 16.308 1.00 0.00 C ATOM 27154 O2 U B1263 57.355 -52.331 16.109 1.00 0.00 O ATOM 27155 N3 U B1263 58.558 -53.978 17.117 1.00 0.00 N ATOM 27156 C4 U B1263 59.722 -54.655 17.411 1.00 0.00 C ATOM 27157 O4 U B1263 59.707 -55.638 18.151 1.00 0.00 O ATOM 27158 C5 U B1263 60.898 -54.103 16.778 1.00 0.00 C ATOM 27159 C6 U B1263 60.807 -53.022 15.989 1.00 0.00 C ATOM 27160 P A B1264 57.810 -46.519 15.438 1.00 0.00 P ATOM 27161 O1P A B1264 58.580 -46.003 14.285 1.00 0.00 O ATOM 27162 O2P A B1264 57.311 -45.500 16.388 1.00 0.00 O ATOM 27163 O5* A B1264 56.490 -47.660 14.960 1.00 0.00 O ATOM 27164 C5* A B1264 55.201 -47.248 14.523 1.00 0.00 C ATOM 27165 C4* A B1264 54.998 -47.611 12.961 1.00 0.00 C ATOM 27166 O4* A B1264 54.176 -48.786 12.726 1.00 0.00 O ATOM 27167 C3* A B1264 54.470 -46.591 11.953 1.00 0.00 C ATOM 27168 O3* A B1264 55.161 -45.240 11.784 1.00 0.00 O ATOM 27169 C2* A B1264 54.131 -47.467 10.752 1.00 0.00 C ATOM 27170 O2* A B1264 55.305 -47.840 10.059 1.00 0.00 O ATOM 27171 C1* A B1264 53.594 -48.725 11.436 1.00 0.00 C ATOM 27172 N9 A B1264 51.907 -48.770 11.610 1.00 0.00 N ATOM 27173 C8 A B1264 51.106 -49.853 11.882 1.00 0.00 C ATOM 27174 N7 A B1264 49.864 -49.546 12.101 1.00 0.00 N ATOM 27175 C5 A B1264 49.829 -48.169 11.975 1.00 0.00 C ATOM 27176 C6 A B1264 48.793 -47.234 12.094 1.00 0.00 C ATOM 27177 N6 A B1264 47.528 -47.564 12.383 1.00 0.00 N ATOM 27178 N1 A B1264 49.100 -45.934 11.901 1.00 0.00 N ATOM 27179 C2 A B1264 50.359 -45.611 11.616 1.00 0.00 C ATOM 27180 N3 A B1264 51.406 -46.396 11.478 1.00 0.00 N ATOM 27181 C4 A B1264 51.073 -47.685 11.671 1.00 0.00 C ATOM 27182 P A B1265 54.064 -43.821 12.158 1.00 0.00 P ATOM 27183 O1P A B1265 54.794 -42.540 12.168 1.00 0.00 O ATOM 27184 O2P A B1265 53.211 -44.087 13.337 1.00 0.00 O ATOM 27185 O5* A B1265 53.147 -44.077 10.606 1.00 0.00 O ATOM 27186 C5* A B1265 53.114 -45.326 9.901 1.00 0.00 C ATOM 27187 C4* A B1265 52.209 -45.400 8.558 1.00 0.00 C ATOM 27188 O4* A B1265 51.502 -44.173 8.218 1.00 0.00 O ATOM 27189 C3* A B1265 52.854 -45.827 7.242 1.00 0.00 C ATOM 27190 O3* A B1265 53.457 -47.233 7.156 1.00 0.00 O ATOM 27191 C2* A B1265 51.798 -45.418 6.219 1.00 0.00 C ATOM 27192 O2* A B1265 50.719 -46.332 6.219 1.00 0.00 O ATOM 27193 C1* A B1265 51.278 -44.117 6.821 1.00 0.00 C ATOM 27194 N9 A B1265 52.013 -42.722 6.222 1.00 0.00 N ATOM 27195 C8 A B1265 53.356 -42.453 6.088 1.00 0.00 C ATOM 27196 N7 A B1265 53.609 -41.348 5.452 1.00 0.00 N ATOM 27197 C5 A B1265 52.356 -40.843 5.139 1.00 0.00 C ATOM 27198 C6 A B1265 51.941 -39.685 4.463 1.00 0.00 C ATOM 27199 N6 A B1265 52.793 -38.780 3.957 1.00 0.00 N ATOM 27200 N1 A B1265 50.617 -39.486 4.326 1.00 0.00 N ATOM 27201 C2 A B1265 49.778 -40.389 4.833 1.00 0.00 C ATOM 27202 N3 A B1265 50.046 -41.502 5.480 1.00 0.00 N ATOM 27203 C4 A B1265 51.377 -41.674 5.605 1.00 0.00 C ATOM 27204 P G B1266 54.068 -47.701 5.497 1.00 0.00 P ATOM 27205 O1P G B1266 55.332 -48.470 5.565 1.00 0.00 O ATOM 27206 O2P G B1266 54.064 -46.553 4.561 1.00 0.00 O ATOM 27207 O5* G B1266 52.625 -48.780 5.238 1.00 0.00 O ATOM 27208 C5* G B1266 51.680 -49.802 4.873 1.00 0.00 C ATOM 27209 C4* G B1266 52.294 -51.315 4.937 1.00 0.00 C ATOM 27210 O4* G B1266 53.656 -51.470 4.448 1.00 0.00 O ATOM 27211 C3* G B1266 52.273 -52.133 6.230 1.00 0.00 C ATOM 27212 O3* G B1266 51.010 -52.321 7.047 1.00 0.00 O ATOM 27213 C2* G B1266 53.189 -53.307 5.884 1.00 0.00 C ATOM 27214 O2* G B1266 52.516 -54.235 5.045 1.00 0.00 O ATOM 27215 C1* G B1266 54.248 -52.623 5.025 1.00 0.00 C ATOM 27216 N9 G B1266 55.661 -52.137 5.879 1.00 0.00 N ATOM 27217 C8 G B1266 56.050 -50.873 6.272 1.00 0.00 C ATOM 27218 N7 G B1266 57.188 -50.849 6.929 1.00 0.00 N ATOM 27219 C5 G B1266 57.572 -52.190 6.975 1.00 0.00 C ATOM 27220 C6 G B1266 58.721 -52.786 7.554 1.00 0.00 C ATOM 27221 O6 G B1266 59.648 -52.252 8.163 1.00 0.00 O ATOM 27222 N1 G B1266 58.723 -54.177 7.374 1.00 0.00 N ATOM 27223 C2 G B1266 57.743 -54.893 6.714 1.00 0.00 C ATOM 27224 N2 G B1266 57.925 -56.213 6.647 1.00 0.00 N ATOM 27225 N3 G B1266 56.668 -54.333 6.170 1.00 0.00 N ATOM 27226 C4 G B1266 56.650 -52.983 6.337 1.00 0.00 C ATOM 27227 P U B1267 51.185 -51.619 8.728 1.00 0.00 P ATOM 27228 O1P U B1267 50.027 -50.761 9.069 1.00 0.00 O ATOM 27229 O2P U B1267 52.521 -51.024 8.963 1.00 0.00 O ATOM 27230 O5* U B1267 51.082 -53.271 9.476 1.00 0.00 O ATOM 27231 C5* U B1267 51.192 -54.567 10.065 1.00 0.00 C ATOM 27232 C4* U B1267 49.775 -55.345 10.056 1.00 0.00 C ATOM 27233 O4* U B1267 49.259 -55.822 8.785 1.00 0.00 O ATOM 27234 C3* U B1267 49.363 -56.427 11.057 1.00 0.00 C ATOM 27235 O3* U B1267 49.620 -56.230 12.564 1.00 0.00 O ATOM 27236 C2* U B1267 47.997 -56.852 10.521 1.00 0.00 C ATOM 27237 O2* U B1267 47.007 -55.888 10.850 1.00 0.00 O ATOM 27238 C1* U B1267 48.218 -56.765 9.012 1.00 0.00 C ATOM 27239 N1 U B1267 48.654 -58.231 8.275 1.00 0.00 N ATOM 27240 C2 U B1267 47.876 -59.331 8.560 1.00 0.00 C ATOM 27241 O2 U B1267 46.952 -59.301 9.356 1.00 0.00 O ATOM 27242 N3 U B1267 48.209 -60.485 7.880 1.00 0.00 N ATOM 27243 C4 U B1267 49.227 -60.629 6.961 1.00 0.00 C ATOM 27244 O4 U B1267 49.430 -61.715 6.416 1.00 0.00 O ATOM 27245 C5 U B1267 49.990 -59.421 6.732 1.00 0.00 C ATOM 27246 C6 U B1267 49.684 -58.285 7.381 1.00 0.00 C ATOM 27247 P A B1268 49.597 -54.547 13.314 1.00 0.00 P ATOM 27248 O1P A B1268 48.544 -54.477 14.353 1.00 0.00 O ATOM 27249 O2P A B1268 49.569 -53.472 12.297 1.00 0.00 O ATOM 27250 O5* A B1268 51.273 -54.665 14.061 1.00 0.00 O ATOM 27251 C5* A B1268 52.426 -54.394 14.936 1.00 0.00 C ATOM 27252 C4* A B1268 52.213 -54.948 16.488 1.00 0.00 C ATOM 27253 O4* A B1268 50.808 -55.323 16.583 1.00 0.00 O ATOM 27254 C3* A B1268 52.954 -56.162 17.042 1.00 0.00 C ATOM 27255 O3* A B1268 54.240 -55.555 17.835 1.00 0.00 O ATOM 27256 C2* A B1268 52.019 -56.630 18.155 1.00 0.00 C ATOM 27257 O2* A B1268 52.130 -55.791 19.291 1.00 0.00 O ATOM 27258 C1* A B1268 50.652 -56.360 17.538 1.00 0.00 C ATOM 27259 N9 A B1268 49.947 -57.696 16.765 1.00 0.00 N ATOM 27260 C8 A B1268 50.148 -58.141 15.475 1.00 0.00 C ATOM 27261 N7 A B1268 49.311 -59.057 15.101 1.00 0.00 N ATOM 27262 C5 A B1268 48.494 -59.246 16.204 1.00 0.00 C ATOM 27263 C6 A B1268 47.399 -60.096 16.440 1.00 0.00 C ATOM 27264 N6 A B1268 46.921 -60.955 15.535 1.00 0.00 N ATOM 27265 N1 A B1268 46.818 -60.026 17.656 1.00 0.00 N ATOM 27266 C2 A B1268 47.297 -59.169 18.550 1.00 0.00 C ATOM 27267 N3 A B1268 48.307 -58.333 18.444 1.00 0.00 N ATOM 27268 C4 A B1268 48.876 -58.421 17.224 1.00 0.00 C ATOM 27269 P A B1269 56.057 -55.867 17.950 1.00 0.00 P ATOM 27270 O1P A B1269 56.463 -57.258 18.249 1.00 0.00 O ATOM 27271 O2P A B1269 56.688 -54.819 18.780 1.00 0.00 O ATOM 27272 O5* A B1269 56.302 -55.553 16.401 1.00 0.00 O ATOM 27273 C5* A B1269 55.720 -54.366 15.825 1.00 0.00 C ATOM 27274 C4* A B1269 56.179 -54.204 14.393 1.00 0.00 C ATOM 27275 O4* A B1269 57.608 -53.909 14.386 1.00 0.00 O ATOM 27276 C3* A B1269 56.059 -55.450 13.510 1.00 0.00 C ATOM 27277 O3* A B1269 54.778 -55.573 12.975 1.00 0.00 O ATOM 27278 C2* A B1269 57.122 -55.188 12.442 1.00 0.00 C ATOM 27279 O2* A B1269 56.666 -54.230 11.504 1.00 0.00 O ATOM 27280 C1* A B1269 58.220 -54.518 13.258 1.00 0.00 C ATOM 27281 N9 A B1269 59.258 -55.467 13.759 1.00 0.00 N ATOM 27282 C8 A B1269 59.452 -55.945 15.031 1.00 0.00 C ATOM 27283 N7 A B1269 60.454 -56.764 15.139 1.00 0.00 N ATOM 27284 C5 A B1269 60.964 -56.842 13.851 1.00 0.00 C ATOM 27285 C6 A B1269 62.039 -57.554 13.297 1.00 0.00 C ATOM 27286 N6 A B1269 62.833 -58.365 14.011 1.00 0.00 N ATOM 27287 N1 A B1269 62.269 -57.404 11.978 1.00 0.00 N ATOM 27288 C2 A B1269 61.478 -56.600 11.277 1.00 0.00 C ATOM 27289 N3 A B1269 60.446 -55.886 11.681 1.00 0.00 N ATOM 27290 C4 A B1269 60.238 -56.053 13.004 1.00 0.00 C ATOM 27291 P C B1270 54.166 -57.068 12.745 1.00 0.00 P ATOM 27292 O1P C B1270 52.701 -56.994 12.529 1.00 0.00 O ATOM 27293 O2P C B1270 54.609 -57.955 13.843 1.00 0.00 O ATOM 27294 O5* C B1270 54.892 -57.483 11.382 1.00 0.00 O ATOM 27295 C5* C B1270 54.669 -56.692 10.202 1.00 0.00 C ATOM 27296 C4* C B1270 55.546 -57.189 9.071 1.00 0.00 C ATOM 27297 O4* C B1270 56.939 -56.909 9.396 1.00 0.00 O ATOM 27298 C3* C B1270 55.524 -58.697 8.821 1.00 0.00 C ATOM 27299 O3* C B1270 54.448 -59.067 8.013 1.00 0.00 O ATOM 27300 C2* C B1270 56.875 -58.932 8.151 1.00 0.00 C ATOM 27301 O2* C B1270 56.845 -58.507 6.801 1.00 0.00 O ATOM 27302 C1* C B1270 57.765 -57.953 8.906 1.00 0.00 C ATOM 27303 N1 C B1270 58.475 -58.562 10.068 1.00 0.00 N ATOM 27304 C2 C B1270 59.548 -59.408 9.802 1.00 0.00 C ATOM 27305 O2 C B1270 59.866 -59.617 8.624 1.00 0.00 O ATOM 27306 N3 C B1270 60.208 -59.972 10.845 1.00 0.00 N ATOM 27307 C4 C B1270 59.834 -59.719 12.104 1.00 0.00 C ATOM 27308 N4 C B1270 60.511 -60.294 13.089 1.00 0.00 N ATOM 27309 C5 C B1270 58.733 -58.851 12.401 1.00 0.00 C ATOM 27310 C6 C B1270 58.086 -58.297 11.343 1.00 0.00 C ATOM 27311 P G B1271 53.375 -60.126 9.159 1.00 0.00 P ATOM 27312 O1P G B1271 52.037 -60.502 8.638 1.00 0.00 O ATOM 27313 O2P G B1271 53.378 -59.416 10.458 1.00 0.00 O ATOM 27314 O5* G B1271 54.320 -61.721 9.071 1.00 0.00 O ATOM 27315 C5* G B1271 54.065 -63.003 8.350 1.00 0.00 C ATOM 27316 C4* G B1271 53.734 -64.389 9.167 1.00 0.00 C ATOM 27317 O4* G B1271 54.036 -64.469 10.593 1.00 0.00 O ATOM 27318 C3* G B1271 53.041 -65.719 8.867 1.00 0.00 C ATOM 27319 O3* G B1271 52.712 -66.354 7.432 1.00 0.00 O ATOM 27320 C2* G B1271 53.797 -66.686 9.774 1.00 0.00 C ATOM 27321 O2* G B1271 55.074 -66.997 9.228 1.00 0.00 O ATOM 27322 C1* G B1271 54.040 -65.829 11.010 1.00 0.00 C ATOM 27323 N9 G B1271 52.873 -66.017 12.251 1.00 0.00 N ATOM 27324 C8 G B1271 52.835 -65.438 13.505 1.00 0.00 C ATOM 27325 N7 G B1271 51.865 -65.887 14.263 1.00 0.00 N ATOM 27326 C5 G B1271 51.214 -66.823 13.461 1.00 0.00 C ATOM 27327 C6 G B1271 50.088 -67.636 13.739 1.00 0.00 C ATOM 27328 O6 G B1271 49.419 -67.705 14.763 1.00 0.00 O ATOM 27329 N1 G B1271 49.763 -68.448 12.638 1.00 0.00 N ATOM 27330 C2 G B1271 50.434 -68.466 11.432 1.00 0.00 C ATOM 27331 N2 G B1271 49.968 -69.304 10.509 1.00 0.00 N ATOM 27332 N3 G B1271 51.496 -67.698 11.175 1.00 0.00 N ATOM 27333 C4 G B1271 51.825 -66.908 12.230 1.00 0.00 C ATOM 27334 P A B1272 52.836 -68.233 7.105 1.00 0.00 P ATOM 27335 O1P A B1272 51.922 -68.934 8.038 1.00 0.00 O ATOM 27336 O2P A B1272 54.272 -68.563 7.240 1.00 0.00 O ATOM 27337 O5* A B1272 52.411 -68.773 5.318 1.00 0.00 O ATOM 27338 C5* A B1272 52.052 -69.520 4.007 1.00 0.00 C ATOM 27339 C4* A B1272 52.979 -69.860 2.606 1.00 0.00 C ATOM 27340 O4* A B1272 54.364 -70.229 2.869 1.00 0.00 O ATOM 27341 C3* A B1272 52.547 -70.827 1.505 1.00 0.00 C ATOM 27342 O3* A B1272 51.344 -70.495 0.585 1.00 0.00 O ATOM 27343 C2* A B1272 53.820 -70.959 0.673 1.00 0.00 C ATOM 27344 O2* A B1272 54.019 -69.812 -0.132 1.00 0.00 O ATOM 27345 C1* A B1272 54.895 -70.932 1.755 1.00 0.00 C ATOM 27346 N9 A B1272 55.409 -72.471 2.287 1.00 0.00 N ATOM 27347 C8 A B1272 56.653 -72.851 2.734 1.00 0.00 C ATOM 27348 N7 A B1272 56.769 -74.125 2.954 1.00 0.00 N ATOM 27349 C5 A B1272 55.521 -74.638 2.632 1.00 0.00 C ATOM 27350 C6 A B1272 54.990 -75.938 2.651 1.00 0.00 C ATOM 27351 N6 A B1272 55.698 -77.015 3.028 1.00 0.00 N ATOM 27352 N1 A B1272 53.712 -76.093 2.269 1.00 0.00 N ATOM 27353 C2 A B1272 53.018 -75.018 1.898 1.00 0.00 C ATOM 27354 N3 A B1272 53.399 -73.762 1.839 1.00 0.00 N ATOM 27355 C4 A B1272 54.684 -73.634 2.225 1.00 0.00 C ATOM 27356 P U B1273 51.589 -69.739 -1.104 1.00 0.00 P ATOM 27357 O1P U B1273 52.156 -68.375 -0.985 1.00 0.00 O ATOM 27358 O2P U B1273 50.311 -69.838 -1.843 1.00 0.00 O ATOM 27359 O5* U B1273 52.865 -70.876 -1.831 1.00 0.00 O ATOM 27360 C5* U B1273 54.242 -71.418 -2.006 1.00 0.00 C ATOM 27361 C4* U B1273 54.910 -71.576 -3.503 1.00 0.00 C ATOM 27362 O4* U B1273 54.236 -70.818 -4.545 1.00 0.00 O ATOM 27363 C3* U B1273 56.385 -71.536 -3.920 1.00 0.00 C ATOM 27364 O3* U B1273 57.457 -72.552 -3.356 1.00 0.00 O ATOM 27365 C2* U B1273 56.286 -71.608 -5.441 1.00 0.00 C ATOM 27366 O2* U B1273 55.990 -72.924 -5.870 1.00 0.00 O ATOM 27367 C1* U B1273 55.045 -70.767 -5.712 1.00 0.00 C ATOM 27368 N1 U B1273 55.359 -69.136 -6.074 1.00 0.00 N ATOM 27369 C2 U B1273 56.250 -68.886 -7.091 1.00 0.00 C ATOM 27370 O2 U B1273 56.829 -69.769 -7.696 1.00 0.00 O ATOM 27371 N3 U B1273 56.447 -67.554 -7.385 1.00 0.00 N ATOM 27372 C4 U B1273 55.849 -66.477 -6.764 1.00 0.00 C ATOM 27373 O4 U B1273 56.108 -65.323 -7.117 1.00 0.00 O ATOM 27374 C5 U B1273 54.934 -66.841 -5.709 1.00 0.00 C ATOM 27375 C6 U B1273 54.718 -68.135 -5.398 1.00 0.00 C ATOM 27376 P A B1274 59.131 -72.659 -4.195 1.00 0.00 P ATOM 27377 O1P A B1274 59.415 -71.364 -4.851 1.00 0.00 O ATOM 27378 O2P A B1274 59.197 -73.852 -5.067 1.00 0.00 O ATOM 27379 O5* A B1274 60.349 -72.782 -2.786 1.00 0.00 O ATOM 27380 C5* A B1274 61.836 -72.761 -2.810 1.00 0.00 C ATOM 27381 C4* A B1274 62.732 -71.937 -1.692 1.00 0.00 C ATOM 27382 O4* A B1274 63.813 -71.075 -2.143 1.00 0.00 O ATOM 27383 C3* A B1274 62.052 -71.125 -0.586 1.00 0.00 C ATOM 27384 O3* A B1274 60.591 -70.966 -0.245 1.00 0.00 O ATOM 27385 C2* A B1274 63.239 -70.420 0.066 1.00 0.00 C ATOM 27386 O2* A B1274 63.965 -71.318 0.892 1.00 0.00 O ATOM 27387 C1* A B1274 64.117 -70.117 -1.140 1.00 0.00 C ATOM 27388 N9 A B1274 65.742 -70.174 -0.842 1.00 0.00 N ATOM 27389 C8 A B1274 66.409 -70.916 0.101 1.00 0.00 C ATOM 27390 N7 A B1274 67.675 -70.635 0.190 1.00 0.00 N ATOM 27391 C5 A B1274 67.863 -69.641 -0.758 1.00 0.00 C ATOM 27392 C6 A B1274 69.000 -68.923 -1.162 1.00 0.00 C ATOM 27393 N6 A B1274 70.217 -69.098 -0.623 1.00 0.00 N ATOM 27394 N1 A B1274 68.841 -68.005 -2.134 1.00 0.00 N ATOM 27395 C2 A B1274 67.627 -67.835 -2.661 1.00 0.00 C ATOM 27396 N3 A B1274 66.503 -68.444 -2.366 1.00 0.00 N ATOM 27397 C4 A B1274 66.692 -69.356 -1.394 1.00 0.00 C ATOM 27398 P A B1275 59.498 -70.154 -1.492 1.00 0.00 P ATOM 27399 O1P A B1275 58.895 -68.899 -0.975 1.00 0.00 O ATOM 27400 O2P A B1275 58.547 -71.173 -1.973 1.00 0.00 O ATOM 27401 O5* A B1275 60.796 -69.696 -2.712 1.00 0.00 O ATOM 27402 C5* A B1275 61.779 -68.918 -3.480 1.00 0.00 C ATOM 27403 C4* A B1275 61.260 -68.393 -4.976 1.00 0.00 C ATOM 27404 O4* A B1275 60.618 -67.097 -5.148 1.00 0.00 O ATOM 27405 C3* A B1275 60.510 -69.305 -5.939 1.00 0.00 C ATOM 27406 O3* A B1275 61.165 -69.780 -7.290 1.00 0.00 O ATOM 27407 C2* A B1275 59.086 -68.767 -5.848 1.00 0.00 C ATOM 27408 O2* A B1275 58.463 -69.192 -4.645 1.00 0.00 O ATOM 27409 C1* A B1275 59.330 -67.269 -5.714 1.00 0.00 C ATOM 27410 N9 A B1275 59.271 -66.415 -7.164 1.00 0.00 N ATOM 27411 C8 A B1275 59.322 -65.053 -7.355 1.00 0.00 C ATOM 27412 N7 A B1275 59.058 -64.680 -8.571 1.00 0.00 N ATOM 27413 C5 A B1275 58.813 -65.871 -9.240 1.00 0.00 C ATOM 27414 C6 A B1275 58.475 -66.159 -10.572 1.00 0.00 C ATOM 27415 N6 A B1275 58.314 -65.213 -11.513 1.00 0.00 N ATOM 27416 N1 A B1275 58.305 -67.447 -10.903 1.00 0.00 N ATOM 27417 C2 A B1275 58.463 -68.382 -9.967 1.00 0.00 C ATOM 27418 N3 A B1275 58.778 -68.236 -8.699 1.00 0.00 N ATOM 27419 C4 A B1275 58.944 -66.932 -8.389 1.00 0.00 C ATOM 27420 P A B1276 61.957 -71.399 -7.592 1.00 0.00 P ATOM 27421 O1P A B1276 61.009 -72.269 -8.324 1.00 0.00 O ATOM 27422 O2P A B1276 62.710 -72.046 -6.492 1.00 0.00 O ATOM 27423 O5* A B1276 62.978 -70.725 -8.624 1.00 0.00 O ATOM 27424 C5* A B1276 64.209 -71.405 -8.933 1.00 0.00 C ATOM 27425 C4* A B1276 64.957 -70.656 -10.019 1.00 0.00 C ATOM 27426 O4* A B1276 64.210 -70.756 -11.260 1.00 0.00 O ATOM 27427 C3* A B1276 65.114 -69.151 -9.800 1.00 0.00 C ATOM 27428 O3* A B1276 66.210 -68.861 -8.991 1.00 0.00 O ATOM 27429 C2* A B1276 65.285 -68.637 -11.229 1.00 0.00 C ATOM 27430 O2* A B1276 66.594 -68.908 -11.704 1.00 0.00 O ATOM 27431 C1* A B1276 64.335 -69.551 -11.999 1.00 0.00 C ATOM 27432 N9 A B1276 62.977 -68.976 -12.183 1.00 0.00 N ATOM 27433 C8 A B1276 61.798 -69.313 -11.552 1.00 0.00 C ATOM 27434 N7 A B1276 60.774 -68.618 -11.943 1.00 0.00 N ATOM 27435 C5 A B1276 61.297 -67.758 -12.897 1.00 0.00 C ATOM 27436 C6 A B1276 60.714 -66.757 -13.690 1.00 0.00 C ATOM 27437 N6 A B1276 59.409 -66.444 -13.644 1.00 0.00 N ATOM 27438 N1 A B1276 61.519 -66.090 -14.538 1.00 0.00 N ATOM 27439 C2 A B1276 62.812 -66.406 -14.577 1.00 0.00 C ATOM 27440 N3 A B1276 63.466 -67.316 -13.888 1.00 0.00 N ATOM 27441 C4 A B1276 62.637 -67.969 -13.049 1.00 0.00 C ATOM 27442 P G B1277 66.124 -67.579 -7.982 1.00 0.00 P ATOM 27443 O1P G B1277 67.201 -67.652 -6.968 1.00 0.00 O ATOM 27444 O2P G B1277 64.747 -67.459 -7.456 1.00 0.00 O ATOM 27445 O5* G B1277 66.423 -66.380 -9.001 1.00 0.00 O ATOM 27446 C5* G B1277 67.681 -66.352 -9.700 1.00 0.00 C ATOM 27447 C4* G B1277 67.697 -65.209 -10.694 1.00 0.00 C ATOM 27448 O4* G B1277 66.737 -65.492 -11.752 1.00 0.00 O ATOM 27449 C3* G B1277 67.258 -63.849 -10.150 1.00 0.00 C ATOM 27450 O3* G B1277 68.311 -63.180 -9.526 1.00 0.00 O ATOM 27451 C2* G B1277 66.779 -63.140 -11.419 1.00 0.00 C ATOM 27452 O2* G B1277 67.883 -62.699 -12.193 1.00 0.00 O ATOM 27453 C1* G B1277 66.128 -64.286 -12.183 1.00 0.00 C ATOM 27454 N9 G B1277 64.662 -64.405 -11.952 1.00 0.00 N ATOM 27455 C8 G B1277 63.968 -65.331 -11.204 1.00 0.00 C ATOM 27456 N7 G B1277 62.668 -65.154 -11.206 1.00 0.00 N ATOM 27457 C5 G B1277 62.487 -64.029 -12.009 1.00 0.00 C ATOM 27458 C6 G B1277 61.297 -63.356 -12.385 1.00 0.00 C ATOM 27459 O6 G B1277 60.136 -63.617 -12.078 1.00 0.00 O ATOM 27460 N1 G B1277 61.569 -62.258 -13.212 1.00 0.00 N ATOM 27461 C2 G B1277 62.824 -61.865 -13.627 1.00 0.00 C ATOM 27462 N2 G B1277 62.874 -60.788 -14.416 1.00 0.00 N ATOM 27463 N3 G B1277 63.942 -62.496 -13.275 1.00 0.00 N ATOM 27464 C4 G B1277 63.697 -63.566 -12.470 1.00 0.00 C ATOM 27465 P C B1278 67.982 -62.232 -8.243 1.00 0.00 P ATOM 27466 O1P C B1278 69.229 -61.917 -7.507 1.00 0.00 O ATOM 27467 O2P C B1278 66.900 -62.843 -7.441 1.00 0.00 O ATOM 27468 O5* C B1278 67.440 -60.914 -8.974 1.00 0.00 O ATOM 27469 C5* C B1278 68.310 -60.210 -9.878 1.00 0.00 C ATOM 27470 C4* C B1278 67.558 -59.080 -10.548 1.00 0.00 C ATOM 27471 O4* C B1278 66.547 -59.645 -11.433 1.00 0.00 O ATOM 27472 C3* C B1278 66.760 -58.167 -9.615 1.00 0.00 C ATOM 27473 O3* C B1278 67.560 -57.170 -9.065 1.00 0.00 O ATOM 27474 C2* C B1278 65.686 -57.614 -10.551 1.00 0.00 C ATOM 27475 O2* C B1278 66.224 -56.612 -11.394 1.00 0.00 O ATOM 27476 C1* C B1278 65.390 -58.822 -11.430 1.00 0.00 C ATOM 27477 N1 C B1278 64.246 -59.646 -10.951 1.00 0.00 N ATOM 27478 C2 C B1278 62.961 -59.142 -11.132 1.00 0.00 C ATOM 27479 O2 C B1278 62.825 -58.039 -11.682 1.00 0.00 O ATOM 27480 N3 C B1278 61.903 -59.875 -10.701 1.00 0.00 N ATOM 27481 C4 C B1278 62.090 -61.063 -10.114 1.00 0.00 C ATOM 27482 N4 C B1278 61.027 -61.742 -9.712 1.00 0.00 N ATOM 27483 C5 C B1278 63.404 -61.602 -9.918 1.00 0.00 C ATOM 27484 C6 C B1278 64.446 -60.852 -10.353 1.00 0.00 C ATOM 27485 P G B1279 67.245 -56.654 -7.548 1.00 0.00 P ATOM 27486 O1P G B1279 68.394 -55.886 -7.019 1.00 0.00 O ATOM 27487 O2P G B1279 66.801 -57.799 -6.725 1.00 0.00 O ATOM 27488 O5* G B1279 66.013 -55.668 -7.816 1.00 0.00 O ATOM 27489 C5* G B1279 66.204 -54.530 -8.675 1.00 0.00 C ATOM 27490 C4* G B1279 64.886 -53.813 -8.887 1.00 0.00 C ATOM 27491 O4* G B1279 64.002 -54.667 -9.668 1.00 0.00 O ATOM 27492 C3* G B1279 64.081 -53.510 -7.621 1.00 0.00 C ATOM 27493 O3* G B1279 64.505 -52.330 -7.016 1.00 0.00 O ATOM 27494 C2* G B1279 62.657 -53.413 -8.164 1.00 0.00 C ATOM 27495 O2* G B1279 62.455 -52.178 -8.829 1.00 0.00 O ATOM 27496 C1* G B1279 62.663 -54.498 -9.238 1.00 0.00 C ATOM 27497 N9 G B1279 62.163 -55.819 -8.757 1.00 0.00 N ATOM 27498 C8 G B1279 62.869 -56.964 -8.470 1.00 0.00 C ATOM 27499 N7 G B1279 62.122 -57.964 -8.063 1.00 0.00 N ATOM 27500 C5 G B1279 60.831 -57.443 -8.083 1.00 0.00 C ATOM 27501 C6 G B1279 59.595 -58.048 -7.746 1.00 0.00 C ATOM 27502 O6 G B1279 59.381 -59.195 -7.355 1.00 0.00 O ATOM 27503 N1 G B1279 58.524 -57.158 -7.908 1.00 0.00 N ATOM 27504 C2 G B1279 58.635 -55.852 -8.341 1.00 0.00 C ATOM 27505 N2 G B1279 57.493 -55.163 -8.429 1.00 0.00 N ATOM 27506 N3 G B1279 59.795 -55.280 -8.656 1.00 0.00 N ATOM 27507 C4 G B1279 60.845 -56.134 -8.505 1.00 0.00 C ATOM 27508 P G B1280 64.452 -52.223 -5.385 1.00 0.00 P ATOM 27509 O1P G B1280 65.266 -51.077 -4.924 1.00 0.00 O ATOM 27510 O2P G B1280 64.790 -53.535 -4.796 1.00 0.00 O ATOM 27511 O5* G B1280 62.899 -51.909 -5.157 1.00 0.00 O ATOM 27512 C5* G B1280 62.334 -50.715 -5.734 1.00 0.00 C ATOM 27513 C4* G B1280 60.838 -50.683 -5.499 1.00 0.00 C ATOM 27514 O4* G B1280 60.217 -51.749 -6.277 1.00 0.00 O ATOM 27515 C3* G B1280 60.380 -50.960 -4.068 1.00 0.00 C ATOM 27516 O3* G B1280 60.421 -49.807 -3.288 1.00 0.00 O ATOM 27517 C2* G B1280 58.959 -51.477 -4.280 1.00 0.00 C ATOM 27518 O2* G B1280 58.072 -50.410 -4.570 1.00 0.00 O ATOM 27519 C1* G B1280 59.115 -52.285 -5.562 1.00 0.00 C ATOM 27520 N9 G B1280 59.381 -53.735 -5.330 1.00 0.00 N ATOM 27521 C8 G B1280 60.556 -54.438 -5.478 1.00 0.00 C ATOM 27522 N7 G B1280 60.452 -55.713 -5.189 1.00 0.00 N ATOM 27523 C5 G B1280 59.115 -55.864 -4.826 1.00 0.00 C ATOM 27524 C6 G B1280 58.407 -57.019 -4.409 1.00 0.00 C ATOM 27525 O6 G B1280 58.818 -58.167 -4.277 1.00 0.00 O ATOM 27526 N1 G B1280 57.062 -56.723 -4.138 1.00 0.00 N ATOM 27527 C2 G B1280 56.482 -55.478 -4.249 1.00 0.00 C ATOM 27528 N2 G B1280 55.185 -55.404 -3.942 1.00 0.00 N ATOM 27529 N3 G B1280 57.148 -54.395 -4.638 1.00 0.00 N ATOM 27530 C4 G B1280 58.453 -54.661 -4.909 1.00 0.00 C ATOM 27531 P G B1281 60.796 -49.944 -1.704 1.00 0.00 P ATOM 27532 O1P G B1281 61.145 -48.616 -1.144 1.00 0.00 O ATOM 27533 O2P G B1281 61.810 -51.005 -1.529 1.00 0.00 O ATOM 27534 O5* G B1281 59.393 -50.429 -1.105 1.00 0.00 O ATOM 27535 C5* G B1281 58.240 -49.581 -1.249 1.00 0.00 C ATOM 27536 C4* G B1281 57.007 -50.287 -0.729 1.00 0.00 C ATOM 27537 O4* G B1281 56.701 -51.411 -1.604 1.00 0.00 O ATOM 27538 C3* G B1281 57.139 -50.925 0.656 1.00 0.00 C ATOM 27539 O3* G B1281 56.910 -49.997 1.669 1.00 0.00 O ATOM 27540 C2* G B1281 56.076 -52.019 0.606 1.00 0.00 C ATOM 27541 O2* G B1281 54.780 -51.468 0.764 1.00 0.00 O ATOM 27542 C1* G B1281 56.185 -52.489 -0.841 1.00 0.00 C ATOM 27543 N9 G B1281 57.091 -53.659 -1.024 1.00 0.00 N ATOM 27544 C8 G B1281 58.358 -53.701 -1.567 1.00 0.00 C ATOM 27545 N7 G B1281 58.891 -54.898 -1.583 1.00 0.00 N ATOM 27546 C5 G B1281 57.909 -55.707 -1.010 1.00 0.00 C ATOM 27547 C6 G B1281 57.907 -57.103 -0.759 1.00 0.00 C ATOM 27548 O6 G B1281 58.785 -57.930 -0.992 1.00 0.00 O ATOM 27549 N1 G B1281 56.705 -57.512 -0.162 1.00 0.00 N ATOM 27550 C2 G B1281 55.644 -56.684 0.146 1.00 0.00 C ATOM 27551 N2 G B1281 54.586 -57.269 0.712 1.00 0.00 N ATOM 27552 N3 G B1281 55.647 -55.372 -0.090 1.00 0.00 N ATOM 27553 C4 G B1281 56.807 -54.959 -0.667 1.00 0.00 C ATOM 27554 P U B1282 58.016 -48.713 2.287 1.00 0.00 P ATOM 27555 O1P U B1282 57.380 -47.756 3.217 1.00 0.00 O ATOM 27556 O2P U B1282 58.815 -48.116 1.192 1.00 0.00 O ATOM 27557 O5* U B1282 58.747 -50.074 3.220 1.00 0.00 O ATOM 27558 C5* U B1282 58.120 -51.384 3.224 1.00 0.00 C ATOM 27559 C4* U B1282 59.236 -52.509 3.005 1.00 0.00 C ATOM 27560 O4* U B1282 59.101 -53.939 2.769 1.00 0.00 O ATOM 27561 C3* U B1282 60.734 -52.313 3.233 1.00 0.00 C ATOM 27562 O3* U B1282 61.148 -50.919 3.699 1.00 0.00 O ATOM 27563 C2* U B1282 61.108 -53.585 3.986 1.00 0.00 C ATOM 27564 O2* U B1282 60.690 -53.518 5.337 1.00 0.00 O ATOM 27565 C1* U B1282 60.227 -54.621 3.299 1.00 0.00 C ATOM 27566 N1 U B1282 60.978 -55.461 2.045 1.00 0.00 N ATOM 27567 C2 U B1282 62.273 -55.870 2.254 1.00 0.00 C ATOM 27568 O2 U B1282 62.858 -55.699 3.311 1.00 0.00 O ATOM 27569 N3 U B1282 62.877 -56.491 1.180 1.00 0.00 N ATOM 27570 C4 U B1282 62.311 -56.731 -0.054 1.00 0.00 C ATOM 27571 O4 U B1282 62.954 -57.303 -0.937 1.00 0.00 O ATOM 27572 C5 U B1282 60.950 -56.268 -0.177 1.00 0.00 C ATOM 27573 C6 U B1282 60.337 -55.661 0.851 1.00 0.00 C ATOM 27574 P G B1283 61.834 -49.864 2.364 1.00 0.00 P ATOM 27575 O1P G B1283 60.948 -48.739 1.989 1.00 0.00 O ATOM 27576 O2P G B1283 62.325 -50.698 1.246 1.00 0.00 O ATOM 27577 O5* G B1283 63.131 -49.159 3.430 1.00 0.00 O ATOM 27578 C5* G B1283 62.543 -48.631 4.624 1.00 0.00 C ATOM 27579 C4* G B1283 63.450 -48.861 5.910 1.00 0.00 C ATOM 27580 O4* G B1283 62.847 -49.304 7.163 1.00 0.00 O ATOM 27581 C3* G B1283 64.890 -49.378 5.998 1.00 0.00 C ATOM 27582 O3* G B1283 66.022 -48.893 4.919 1.00 0.00 O ATOM 27583 C2* G B1283 65.197 -49.213 7.485 1.00 0.00 C ATOM 27584 O2* G B1283 65.452 -47.856 7.799 1.00 0.00 O ATOM 27585 C1* G B1283 63.858 -49.568 8.118 1.00 0.00 C ATOM 27586 N9 G B1283 63.714 -51.198 8.620 1.00 0.00 N ATOM 27587 C8 G B1283 62.730 -52.117 8.320 1.00 0.00 C ATOM 27588 N7 G B1283 62.866 -53.260 8.949 1.00 0.00 N ATOM 27589 C5 G B1283 64.015 -53.089 9.717 1.00 0.00 C ATOM 27590 C6 G B1283 64.663 -53.979 10.609 1.00 0.00 C ATOM 27591 O6 G B1283 64.350 -55.127 10.909 1.00 0.00 O ATOM 27592 N1 G B1283 65.802 -53.396 11.179 1.00 0.00 N ATOM 27593 C2 G B1283 66.257 -52.118 10.921 1.00 0.00 C ATOM 27594 N2 G B1283 67.364 -51.749 11.571 1.00 0.00 N ATOM 27595 N3 G B1283 65.651 -51.284 10.082 1.00 0.00 N ATOM 27596 C4 G B1283 64.541 -51.830 9.522 1.00 0.00 C ATOM 27597 P A B1284 66.609 -49.047 3.085 1.00 0.00 P ATOM 27598 O1P A B1284 67.173 -47.714 2.756 1.00 0.00 O ATOM 27599 O2P A B1284 65.495 -49.503 2.230 1.00 0.00 O ATOM 27600 O5* A B1284 68.160 -50.154 2.802 1.00 0.00 O ATOM 27601 C5* A B1284 69.264 -50.865 1.985 1.00 0.00 C ATOM 27602 C4* A B1284 70.489 -51.966 2.349 1.00 0.00 C ATOM 27603 O4* A B1284 71.615 -51.651 3.224 1.00 0.00 O ATOM 27604 C3* A B1284 70.379 -53.482 2.430 1.00 0.00 C ATOM 27605 O3* A B1284 69.793 -53.776 0.947 1.00 0.00 O ATOM 27606 C2* A B1284 71.840 -53.914 2.536 1.00 0.00 C ATOM 27607 O2* A B1284 72.481 -53.832 1.273 1.00 0.00 O ATOM 27608 C1* A B1284 72.421 -52.802 3.402 1.00 0.00 C ATOM 27609 N9 A B1284 72.488 -53.156 5.063 1.00 0.00 N ATOM 27610 C8 A B1284 71.981 -52.424 6.113 1.00 0.00 C ATOM 27611 N7 A B1284 72.342 -52.862 7.281 1.00 0.00 N ATOM 27612 C5 A B1284 73.146 -53.957 6.996 1.00 0.00 C ATOM 27613 C6 A B1284 73.839 -54.867 7.816 1.00 0.00 C ATOM 27614 N6 A B1284 73.838 -54.801 9.153 1.00 0.00 N ATOM 27615 N1 A B1284 74.540 -55.839 7.208 1.00 0.00 N ATOM 27616 C2 A B1284 74.540 -55.894 5.877 1.00 0.00 C ATOM 27617 N3 A B1284 73.931 -55.104 5.010 1.00 0.00 N ATOM 27618 C4 A B1284 73.238 -54.144 5.647 1.00 0.00 C ATOM 27619 P A B1285 68.786 -55.084 0.127 1.00 0.00 P ATOM 27620 O1P A B1285 68.237 -54.558 -1.140 1.00 0.00 O ATOM 27621 O2P A B1285 67.825 -55.775 1.011 1.00 0.00 O ATOM 27622 O5* A B1285 70.276 -56.096 -0.120 1.00 0.00 O ATOM 27623 C5* A B1285 70.982 -56.788 0.912 1.00 0.00 C ATOM 27624 C4* A B1285 70.079 -57.028 2.224 1.00 0.00 C ATOM 27625 O4* A B1285 69.519 -55.963 3.041 1.00 0.00 O ATOM 27626 C3* A B1285 69.230 -58.249 2.579 1.00 0.00 C ATOM 27627 O3* A B1285 69.646 -59.625 2.052 1.00 0.00 O ATOM 27628 C2* A B1285 68.967 -58.031 4.065 1.00 0.00 C ATOM 27629 O2* A B1285 70.112 -58.359 4.836 1.00 0.00 O ATOM 27630 C1* A B1285 68.805 -56.517 4.133 1.00 0.00 C ATOM 27631 N9 A B1285 67.180 -55.967 4.052 1.00 0.00 N ATOM 27632 C8 A B1285 66.217 -56.292 3.124 1.00 0.00 C ATOM 27633 N7 A B1285 65.022 -55.895 3.446 1.00 0.00 N ATOM 27634 C5 A B1285 65.199 -55.260 4.666 1.00 0.00 C ATOM 27635 C6 A B1285 64.302 -54.621 5.538 1.00 0.00 C ATOM 27636 N6 A B1285 62.988 -54.507 5.297 1.00 0.00 N ATOM 27637 N1 A B1285 64.809 -54.095 6.671 1.00 0.00 N ATOM 27638 C2 A B1285 66.113 -54.214 6.904 1.00 0.00 C ATOM 27639 N3 A B1285 67.041 -54.789 6.166 1.00 0.00 N ATOM 27640 C4 A B1285 66.507 -55.304 5.041 1.00 0.00 C ATOM 27641 P A B1286 69.277 -59.992 0.292 1.00 0.00 P ATOM 27642 O1P A B1286 70.165 -59.240 -0.625 1.00 0.00 O ATOM 27643 O2P A B1286 67.832 -59.925 -0.010 1.00 0.00 O ATOM 27644 O5* A B1286 69.860 -61.710 0.480 1.00 0.00 O ATOM 27645 C5* A B1286 70.346 -62.880 1.164 1.00 0.00 C ATOM 27646 C4* A B1286 69.415 -63.251 2.455 1.00 0.00 C ATOM 27647 O4* A B1286 69.099 -62.108 3.304 1.00 0.00 O ATOM 27648 C3* A B1286 68.065 -63.934 2.239 1.00 0.00 C ATOM 27649 O3* A B1286 68.032 -65.285 1.557 1.00 0.00 O ATOM 27650 C2* A B1286 67.378 -63.726 3.584 1.00 0.00 C ATOM 27651 O2* A B1286 67.897 -64.615 4.557 1.00 0.00 O ATOM 27652 C1* A B1286 67.862 -62.330 3.960 1.00 0.00 C ATOM 27653 N9 A B1286 66.812 -61.089 3.541 1.00 0.00 N ATOM 27654 C8 A B1286 66.869 -60.253 2.448 1.00 0.00 C ATOM 27655 N7 A B1286 66.024 -59.269 2.492 1.00 0.00 N ATOM 27656 C5 A B1286 65.354 -59.453 3.691 1.00 0.00 C ATOM 27657 C6 A B1286 64.326 -58.739 4.320 1.00 0.00 C ATOM 27658 N6 A B1286 63.768 -57.635 3.805 1.00 0.00 N ATOM 27659 N1 A B1286 63.890 -59.197 5.513 1.00 0.00 N ATOM 27660 C2 A B1286 64.448 -60.292 6.020 1.00 0.00 C ATOM 27661 N3 A B1286 65.411 -61.044 5.526 1.00 0.00 N ATOM 27662 C4 A B1286 65.828 -60.561 4.336 1.00 0.00 C ATOM 27663 P A B1287 66.907 -65.325 0.124 1.00 0.00 P ATOM 27664 O1P A B1287 67.615 -65.196 -1.167 1.00 0.00 O ATOM 27665 O2P A B1287 65.732 -64.436 0.306 1.00 0.00 O ATOM 27666 O5* A B1287 66.554 -67.056 0.534 1.00 0.00 O ATOM 27667 C5* A B1287 66.675 -67.836 1.731 1.00 0.00 C ATOM 27668 C4* A B1287 65.331 -67.734 2.624 1.00 0.00 C ATOM 27669 O4* A B1287 65.352 -66.906 3.824 1.00 0.00 O ATOM 27670 C3* A B1287 63.979 -67.417 1.984 1.00 0.00 C ATOM 27671 O3* A B1287 63.531 -68.050 0.683 1.00 0.00 O ATOM 27672 C2* A B1287 63.082 -67.240 3.204 1.00 0.00 C ATOM 27673 O2* A B1287 62.745 -68.492 3.767 1.00 0.00 O ATOM 27674 C1* A B1287 64.027 -66.548 4.181 1.00 0.00 C ATOM 27675 N9 A B1287 63.917 -64.878 4.195 1.00 0.00 N ATOM 27676 C8 A B1287 64.502 -63.977 3.334 1.00 0.00 C ATOM 27677 N7 A B1287 64.089 -62.757 3.482 1.00 0.00 N ATOM 27678 C5 A B1287 63.159 -62.842 4.516 1.00 0.00 C ATOM 27679 C6 A B1287 62.360 -61.880 5.151 1.00 0.00 C ATOM 27680 N6 A B1287 62.368 -60.581 4.824 1.00 0.00 N ATOM 27681 N1 A B1287 61.551 -62.304 6.139 1.00 0.00 N ATOM 27682 C2 A B1287 61.553 -63.599 6.457 1.00 0.00 C ATOM 27683 N3 A B1287 62.251 -64.580 5.937 1.00 0.00 N ATOM 27684 C4 A B1287 63.053 -64.132 4.953 1.00 0.00 C ATOM 27685 P G B1288 63.290 -66.978 -0.782 1.00 0.00 P ATOM 27686 O1P G B1288 64.194 -67.343 -1.893 1.00 0.00 O ATOM 27687 O2P G B1288 63.221 -65.539 -0.454 1.00 0.00 O ATOM 27688 O5* G B1288 61.640 -67.706 -1.003 1.00 0.00 O ATOM 27689 C5* G B1288 60.752 -68.098 0.052 1.00 0.00 C ATOM 27690 C4* G B1288 60.356 -66.857 0.954 1.00 0.00 C ATOM 27691 O4* G B1288 61.361 -65.827 1.176 1.00 0.00 O ATOM 27692 C3* G B1288 59.094 -66.274 1.592 1.00 0.00 C ATOM 27693 O3* G B1288 57.780 -67.230 1.867 1.00 0.00 O ATOM 27694 C2* G B1288 59.657 -65.534 2.802 1.00 0.00 C ATOM 27695 O2* G B1288 59.999 -66.445 3.833 1.00 0.00 O ATOM 27696 C1* G B1288 60.966 -64.985 2.245 1.00 0.00 C ATOM 27697 N9 G B1288 60.873 -63.355 1.652 1.00 0.00 N ATOM 27698 C8 G B1288 61.356 -62.832 0.470 1.00 0.00 C ATOM 27699 N7 G B1288 61.243 -61.528 0.378 1.00 0.00 N ATOM 27700 C5 G B1288 60.646 -61.162 1.589 1.00 0.00 C ATOM 27701 C6 G B1288 60.280 -59.883 2.067 1.00 0.00 C ATOM 27702 O6 G B1288 60.401 -58.787 1.524 1.00 0.00 O ATOM 27703 N1 G B1288 59.704 -59.962 3.346 1.00 0.00 N ATOM 27704 C2 G B1288 59.510 -61.127 4.059 1.00 0.00 C ATOM 27705 N2 G B1288 58.943 -60.992 5.260 1.00 0.00 N ATOM 27706 N3 G B1288 59.859 -62.330 3.606 1.00 0.00 N ATOM 27707 C4 G B1288 60.420 -62.268 2.370 1.00 0.00 C ATOM 27708 P C B1289 56.446 -67.295 0.457 1.00 0.00 P ATOM 27709 O1P C B1289 55.796 -68.535 -0.026 1.00 0.00 O ATOM 27710 O2P C B1289 57.642 -66.859 -0.299 1.00 0.00 O ATOM 27711 O5* C B1289 55.375 -66.107 0.505 1.00 0.00 O ATOM 27712 C5* C B1289 54.167 -66.288 1.267 1.00 0.00 C ATOM 27713 C4* C B1289 53.362 -65.005 1.276 1.00 0.00 C ATOM 27714 O4* C B1289 54.088 -64.001 2.043 1.00 0.00 O ATOM 27715 C3* C B1289 53.146 -64.345 -0.085 1.00 0.00 C ATOM 27716 O3* C B1289 52.057 -64.896 -0.757 1.00 0.00 O ATOM 27717 C2* C B1289 52.921 -62.885 0.298 1.00 0.00 C ATOM 27718 O2* C B1289 51.615 -62.698 0.820 1.00 0.00 O ATOM 27719 C1* C B1289 53.892 -62.717 1.465 1.00 0.00 C ATOM 27720 N1 C B1289 55.221 -62.185 1.064 1.00 0.00 N ATOM 27721 C2 C B1289 55.307 -60.835 0.738 1.00 0.00 C ATOM 27722 O2 C B1289 54.287 -60.140 0.795 1.00 0.00 O ATOM 27723 N3 C B1289 56.512 -60.326 0.368 1.00 0.00 N ATOM 27724 C4 C B1289 57.598 -61.113 0.320 1.00 0.00 C ATOM 27725 N4 C B1289 58.748 -60.569 -0.044 1.00 0.00 N ATOM 27726 C5 C B1289 57.529 -62.504 0.651 1.00 0.00 C ATOM 27727 C6 C B1289 56.317 -62.992 1.017 1.00 0.00 C ATOM 27728 P C B1290 52.112 -65.006 -2.385 1.00 0.00 P ATOM 27729 O1P C B1290 51.064 -65.932 -2.874 1.00 0.00 O ATOM 27730 O2P C B1290 53.492 -65.314 -2.812 1.00 0.00 O ATOM 27731 O5* C B1290 51.739 -63.504 -2.797 1.00 0.00 O ATOM 27732 C5* C B1290 50.467 -62.964 -2.395 1.00 0.00 C ATOM 27733 C4* C B1290 50.377 -61.502 -2.779 1.00 0.00 C ATOM 27734 O4* C B1290 51.324 -60.743 -1.971 1.00 0.00 O ATOM 27735 C3* C B1290 50.771 -61.166 -4.220 1.00 0.00 C ATOM 27736 O3* C B1290 49.705 -61.353 -5.097 1.00 0.00 O ATOM 27737 C2* C B1290 51.189 -59.700 -4.102 1.00 0.00 C ATOM 27738 O2* C B1290 50.051 -58.859 -4.005 1.00 0.00 O ATOM 27739 C1* C B1290 51.871 -59.684 -2.738 1.00 0.00 C ATOM 27740 N1 C B1290 53.347 -59.878 -2.806 1.00 0.00 N ATOM 27741 C2 C B1290 54.121 -58.815 -3.261 1.00 0.00 C ATOM 27742 O2 C B1290 53.558 -57.762 -3.586 1.00 0.00 O ATOM 27743 N3 C B1290 55.469 -58.971 -3.330 1.00 0.00 N ATOM 27744 C4 C B1290 56.041 -60.126 -2.968 1.00 0.00 C ATOM 27745 N4 C B1290 57.358 -60.229 -3.052 1.00 0.00 N ATOM 27746 C5 C B1290 55.261 -61.233 -2.496 1.00 0.00 C ATOM 27747 C6 C B1290 53.918 -61.054 -2.434 1.00 0.00 C ATOM 27748 P C B1291 50.021 -61.865 -6.615 1.00 0.00 P ATOM 27749 O1P C B1291 48.781 -62.349 -7.260 1.00 0.00 O ATOM 27750 O2P C B1291 51.148 -62.822 -6.587 1.00 0.00 O ATOM 27751 O5* C B1291 50.490 -60.497 -7.301 1.00 0.00 O ATOM 27752 C5* C B1291 49.568 -59.390 -7.354 1.00 0.00 C ATOM 27753 C4* C B1291 50.257 -58.170 -7.928 1.00 0.00 C ATOM 27754 O4* C B1291 51.270 -57.713 -6.986 1.00 0.00 O ATOM 27755 C3* C B1291 51.039 -58.393 -9.226 1.00 0.00 C ATOM 27756 O3* C B1291 50.206 -58.319 -10.341 1.00 0.00 O ATOM 27757 C2* C B1291 52.063 -57.264 -9.181 1.00 0.00 C ATOM 27758 O2* C B1291 51.462 -56.024 -9.521 1.00 0.00 O ATOM 27759 C1* C B1291 52.391 -57.204 -7.691 1.00 0.00 C ATOM 27760 N1 C B1291 53.581 -58.014 -7.308 1.00 0.00 N ATOM 27761 C2 C B1291 54.837 -57.524 -7.654 1.00 0.00 C ATOM 27762 O2 C B1291 54.913 -56.448 -8.257 1.00 0.00 O ATOM 27763 N3 C B1291 55.937 -58.249 -7.313 1.00 0.00 N ATOM 27764 C4 C B1291 55.812 -59.409 -6.659 1.00 0.00 C ATOM 27765 N4 C B1291 56.915 -60.078 -6.349 1.00 0.00 N ATOM 27766 C5 C B1291 54.529 -59.931 -6.295 1.00 0.00 C ATOM 27767 C6 C B1291 53.444 -59.194 -6.646 1.00 0.00 C ATOM 27768 P G B1292 50.534 -59.270 -11.627 1.00 0.00 P ATOM 27769 O1P G B1292 49.364 -59.325 -12.534 1.00 0.00 O ATOM 27770 O2P G B1292 51.044 -60.575 -11.157 1.00 0.00 O ATOM 27771 O5* G B1292 51.715 -58.442 -12.321 1.00 0.00 O ATOM 27772 C5* G B1292 51.456 -57.101 -12.773 1.00 0.00 C ATOM 27773 C4* G B1292 52.738 -56.466 -13.275 1.00 0.00 C ATOM 27774 O4* G B1292 53.638 -56.264 -12.149 1.00 0.00 O ATOM 27775 C3* G B1292 53.557 -57.308 -14.258 1.00 0.00 C ATOM 27776 O3* G B1292 53.094 -57.162 -15.560 1.00 0.00 O ATOM 27777 C2* G B1292 54.963 -56.743 -14.061 1.00 0.00 C ATOM 27778 O2* G B1292 55.097 -55.491 -14.713 1.00 0.00 O ATOM 27779 C1* G B1292 54.979 -56.468 -12.562 1.00 0.00 C ATOM 27780 N9 G B1292 55.546 -57.583 -11.752 1.00 0.00 N ATOM 27781 C8 G B1292 54.896 -58.496 -10.950 1.00 0.00 C ATOM 27782 N7 G B1292 55.694 -59.361 -10.372 1.00 0.00 N ATOM 27783 C5 G B1292 56.962 -58.995 -10.822 1.00 0.00 C ATOM 27784 C6 G B1292 58.230 -59.564 -10.539 1.00 0.00 C ATOM 27785 O6 G B1292 58.502 -60.521 -9.817 1.00 0.00 O ATOM 27786 N1 G B1292 59.256 -58.884 -11.206 1.00 0.00 N ATOM 27787 C2 G B1292 59.080 -57.795 -12.042 1.00 0.00 C ATOM 27788 N2 G B1292 60.188 -57.288 -12.584 1.00 0.00 N ATOM 27789 N3 G B1292 57.888 -57.265 -12.307 1.00 0.00 N ATOM 27790 C4 G B1292 56.882 -57.915 -11.667 1.00 0.00 C ATOM 27791 P C B1293 53.180 -58.445 -16.570 1.00 0.00 P ATOM 27792 O1P C B1293 52.328 -58.219 -17.756 1.00 0.00 O ATOM 27793 O2P C B1293 52.914 -59.687 -15.812 1.00 0.00 O ATOM 27794 O5* C B1293 54.723 -58.389 -16.993 1.00 0.00 O ATOM 27795 C5* C B1293 55.222 -57.220 -17.667 1.00 0.00 C ATOM 27796 C4* C B1293 56.722 -57.330 -17.857 1.00 0.00 C ATOM 27797 O4* C B1293 57.370 -57.262 -16.556 1.00 0.00 O ATOM 27798 C3* C B1293 57.222 -58.649 -18.448 1.00 0.00 C ATOM 27799 O3* C B1293 57.150 -58.648 -19.839 1.00 0.00 O ATOM 27800 C2* C B1293 58.657 -58.706 -17.932 1.00 0.00 C ATOM 27801 O2* C B1293 59.492 -57.825 -18.670 1.00 0.00 O ATOM 27802 C1* C B1293 58.509 -58.106 -16.539 1.00 0.00 C ATOM 27803 N1 C B1293 58.311 -59.122 -15.468 1.00 0.00 N ATOM 27804 C2 C B1293 59.414 -59.875 -15.077 1.00 0.00 C ATOM 27805 O2 C B1293 60.500 -59.672 -15.629 1.00 0.00 O ATOM 27806 N3 C B1293 59.255 -60.810 -14.103 1.00 0.00 N ATOM 27807 C4 C B1293 58.060 -61.000 -13.529 1.00 0.00 C ATOM 27808 N4 C B1293 57.959 -61.921 -12.584 1.00 0.00 N ATOM 27809 C5 C B1293 56.913 -60.235 -13.916 1.00 0.00 C ATOM 27810 C6 C B1293 57.093 -59.309 -14.893 1.00 0.00 C ATOM 27811 P U B1294 56.819 -60.048 -20.610 1.00 0.00 P ATOM 27812 O1P U B1294 56.424 -59.782 -22.009 1.00 0.00 O ATOM 27813 O2P U B1294 55.854 -60.834 -19.808 1.00 0.00 O ATOM 27814 O5* U B1294 58.254 -60.755 -20.575 1.00 0.00 O ATOM 27815 C5* U B1294 59.366 -60.109 -21.221 1.00 0.00 C ATOM 27816 C4* U B1294 60.641 -60.884 -20.961 1.00 0.00 C ATOM 27817 O4* U B1294 60.975 -60.780 -19.547 1.00 0.00 O ATOM 27818 C3* U B1294 60.566 -62.392 -21.211 1.00 0.00 C ATOM 27819 O3* U B1294 60.777 -62.700 -22.553 1.00 0.00 O ATOM 27820 C2* U B1294 61.673 -62.923 -20.304 1.00 0.00 C ATOM 27821 O2* U B1294 62.950 -62.689 -20.876 1.00 0.00 O ATOM 27822 C1* U B1294 61.553 -61.998 -19.096 1.00 0.00 C ATOM 27823 N1 U B1294 60.693 -62.539 -18.008 1.00 0.00 N ATOM 27824 C2 U B1294 61.219 -63.557 -17.248 1.00 0.00 C ATOM 27825 O2 U B1294 62.335 -64.012 -17.428 1.00 0.00 O ATOM 27826 N3 U B1294 60.395 -64.033 -16.248 1.00 0.00 N ATOM 27827 C4 U B1294 59.119 -63.590 -15.956 1.00 0.00 C ATOM 27828 O4 U B1294 58.477 -64.098 -15.032 1.00 0.00 O ATOM 27829 C5 U B1294 58.655 -62.524 -16.807 1.00 0.00 C ATOM 27830 C6 U B1294 59.437 -62.041 -17.789 1.00 0.00 C ATOM 27831 P C B1295 59.924 -64.544 -22.712 1.00 0.00 P ATOM 27832 O1P C B1295 60.570 -65.282 -23.819 1.00 0.00 O ATOM 27833 O2P C B1295 58.605 -63.949 -23.016 1.00 0.00 O ATOM 27834 O5* C B1295 59.806 -65.492 -21.425 1.00 0.00 O ATOM 27835 C5* C B1295 60.999 -66.106 -20.898 1.00 0.00 C ATOM 27836 C4* C B1295 60.675 -66.853 -19.621 1.00 0.00 C ATOM 27837 O4* C B1295 60.319 -65.886 -18.588 1.00 0.00 O ATOM 27838 C3* C B1295 59.469 -67.788 -19.682 1.00 0.00 C ATOM 27839 O3* C B1295 59.814 -69.034 -20.198 1.00 0.00 O ATOM 27840 C2* C B1295 59.042 -67.855 -18.217 1.00 0.00 C ATOM 27841 O2* C B1295 59.910 -68.696 -17.479 1.00 0.00 O ATOM 27842 C1* C B1295 59.309 -66.426 -17.751 1.00 0.00 C ATOM 27843 N1 C B1295 58.119 -65.537 -17.838 1.00 0.00 N ATOM 27844 C2 C B1295 57.110 -65.707 -16.889 1.00 0.00 C ATOM 27845 O2 C B1295 57.246 -66.582 -16.026 1.00 0.00 O ATOM 27846 N3 C B1295 56.015 -64.906 -16.951 1.00 0.00 N ATOM 27847 C4 C B1295 55.905 -63.973 -17.903 1.00 0.00 C ATOM 27848 N4 C B1295 54.818 -63.216 -17.918 1.00 0.00 N ATOM 27849 C5 C B1295 56.929 -63.779 -18.887 1.00 0.00 C ATOM 27850 C6 C B1295 58.014 -64.590 -18.810 1.00 0.00 C ATOM 27851 P G B1296 58.718 -69.843 -21.098 1.00 0.00 P ATOM 27852 O1P G B1296 59.373 -70.937 -21.845 1.00 0.00 O ATOM 27853 O2P G B1296 57.943 -68.879 -21.914 1.00 0.00 O ATOM 27854 O5* G B1296 57.781 -70.456 -19.954 1.00 0.00 O ATOM 27855 C5* G B1296 58.357 -71.353 -18.986 1.00 0.00 C ATOM 27856 C4* G B1296 57.331 -71.708 -17.929 1.00 0.00 C ATOM 27857 O4* G B1296 57.037 -70.520 -17.138 1.00 0.00 O ATOM 27858 C3* G B1296 55.963 -72.152 -18.453 1.00 0.00 C ATOM 27859 O3* G B1296 55.953 -73.507 -18.771 1.00 0.00 O ATOM 27860 C2* G B1296 55.048 -71.814 -17.279 1.00 0.00 C ATOM 27861 O2* G B1296 55.183 -72.771 -16.241 1.00 0.00 O ATOM 27862 C1* G B1296 55.666 -70.516 -16.769 1.00 0.00 C ATOM 27863 N9 G B1296 55.040 -69.289 -17.335 1.00 0.00 N ATOM 27864 C8 G B1296 55.529 -68.422 -18.287 1.00 0.00 C ATOM 27865 N7 G B1296 54.718 -67.427 -18.568 1.00 0.00 N ATOM 27866 C5 G B1296 53.618 -67.654 -17.742 1.00 0.00 C ATOM 27867 C6 G B1296 52.416 -66.913 -17.597 1.00 0.00 C ATOM 27868 O6 G B1296 52.072 -65.885 -18.178 1.00 0.00 O ATOM 27869 N1 G B1296 51.567 -67.494 -16.649 1.00 0.00 N ATOM 27870 C2 G B1296 51.840 -68.645 -15.934 1.00 0.00 C ATOM 27871 N2 G B1296 50.897 -69.039 -15.074 1.00 0.00 N ATOM 27872 N3 G B1296 52.966 -69.340 -16.069 1.00 0.00 N ATOM 27873 C4 G B1296 53.805 -68.788 -16.987 1.00 0.00 C ATOM 27874 P C B1297 55.033 -74.013 -20.023 1.00 0.00 P ATOM 27875 O1P C B1297 55.429 -75.378 -20.430 1.00 0.00 O ATOM 27876 O2P C B1297 55.052 -72.991 -21.090 1.00 0.00 O ATOM 27877 O5* C B1297 53.587 -74.050 -19.334 1.00 0.00 O ATOM 27878 C5* C B1297 53.373 -74.916 -18.205 1.00 0.00 C ATOM 27879 C4* C B1297 51.985 -74.701 -17.640 1.00 0.00 C ATOM 27880 O4* C B1297 51.917 -73.370 -17.052 1.00 0.00 O ATOM 27881 C3* C B1297 50.843 -74.712 -18.658 1.00 0.00 C ATOM 27882 O3* C B1297 50.416 -76.008 -18.935 1.00 0.00 O ATOM 27883 C2* C B1297 49.778 -73.876 -17.951 1.00 0.00 C ATOM 27884 O2* C B1297 49.143 -74.631 -16.931 1.00 0.00 O ATOM 27885 C1* C B1297 50.626 -72.818 -17.254 1.00 0.00 C ATOM 27886 N1 C B1297 50.781 -71.563 -18.043 1.00 0.00 N ATOM 27887 C2 C B1297 49.689 -70.705 -18.119 1.00 0.00 C ATOM 27888 O2 C B1297 48.644 -71.016 -17.534 1.00 0.00 O ATOM 27889 N3 C B1297 49.806 -69.556 -18.832 1.00 0.00 N ATOM 27890 C4 C B1297 50.955 -69.254 -19.450 1.00 0.00 C ATOM 27891 N4 C B1297 51.022 -68.119 -20.132 1.00 0.00 N ATOM 27892 C5 C B1297 52.093 -70.122 -19.385 1.00 0.00 C ATOM 27893 C6 C B1297 51.954 -71.266 -18.667 1.00 0.00 C ATOM 27894 P C B1298 49.890 -76.356 -20.439 1.00 0.00 P ATOM 27895 O1P C B1298 49.834 -77.824 -20.636 1.00 0.00 O ATOM 27896 O2P C B1298 50.694 -75.606 -21.428 1.00 0.00 O ATOM 27897 O5* C B1298 48.406 -75.763 -20.384 1.00 0.00 O ATOM 27898 C5* C B1298 47.476 -76.295 -19.420 1.00 0.00 C ATOM 27899 C4* C B1298 46.181 -75.506 -19.459 1.00 0.00 C ATOM 27900 O4* C B1298 46.434 -74.159 -18.965 1.00 0.00 O ATOM 27901 C3* C B1298 45.580 -75.282 -20.846 1.00 0.00 C ATOM 27902 O3* C B1298 44.808 -76.370 -21.252 1.00 0.00 O ATOM 27903 C2* C B1298 44.750 -74.017 -20.637 1.00 0.00 C ATOM 27904 O2* C B1298 43.549 -74.314 -19.942 1.00 0.00 O ATOM 27905 C1* C B1298 45.633 -73.229 -19.674 1.00 0.00 C ATOM 27906 N1 C B1298 46.542 -72.262 -20.353 1.00 0.00 N ATOM 27907 C2 C B1298 45.979 -71.099 -20.872 1.00 0.00 C ATOM 27908 O2 C B1298 44.763 -70.916 -20.747 1.00 0.00 O ATOM 27909 N3 C B1298 46.789 -70.205 -21.496 1.00 0.00 N ATOM 27910 C4 C B1298 48.103 -70.438 -21.608 1.00 0.00 C ATOM 27911 N4 C B1298 48.852 -69.537 -22.226 1.00 0.00 N ATOM 27912 C5 C B1298 48.701 -71.629 -21.083 1.00 0.00 C ATOM 27913 C6 C B1298 47.875 -72.511 -20.465 1.00 0.00 C ATOM 27914 P G B1299 43.271 -77.080 -20.454 1.00 0.00 P ATOM 27915 O1P G B1299 43.526 -77.370 -19.027 1.00 0.00 O ATOM 27916 O2P G B1299 42.812 -78.229 -21.275 1.00 0.00 O ATOM 27917 O5* G B1299 42.037 -75.712 -20.644 1.00 0.00 O ATOM 27918 C5* G B1299 40.754 -75.194 -20.149 1.00 0.00 C ATOM 27919 C4* G B1299 40.634 -73.611 -19.697 1.00 0.00 C ATOM 27920 O4* G B1299 41.047 -72.516 -20.564 1.00 0.00 O ATOM 27921 C3* G B1299 40.588 -72.978 -18.303 1.00 0.00 C ATOM 27922 O3* G B1299 39.343 -72.779 -17.334 1.00 0.00 O ATOM 27923 C2* G B1299 41.765 -72.003 -18.359 1.00 0.00 C ATOM 27924 O2* G B1299 42.992 -72.696 -18.222 1.00 0.00 O ATOM 27925 C1* G B1299 41.691 -71.511 -19.798 1.00 0.00 C ATOM 27926 N9 G B1299 40.820 -70.015 -20.011 1.00 0.00 N ATOM 27927 C8 G B1299 39.839 -69.700 -20.929 1.00 0.00 C ATOM 27928 N7 G B1299 39.376 -68.479 -20.814 1.00 0.00 N ATOM 27929 C5 G B1299 40.098 -67.950 -19.747 1.00 0.00 C ATOM 27930 C6 G B1299 40.038 -66.658 -19.154 1.00 0.00 C ATOM 27931 O6 G B1299 39.323 -65.708 -19.453 1.00 0.00 O ATOM 27932 N1 G B1299 40.945 -66.543 -18.091 1.00 0.00 N ATOM 27933 C2 G B1299 41.803 -67.539 -17.656 1.00 0.00 C ATOM 27934 N2 G B1299 42.585 -67.232 -16.629 1.00 0.00 N ATOM 27935 N3 G B1299 41.853 -68.749 -18.212 1.00 0.00 N ATOM 27936 C4 G B1299 40.982 -68.877 -19.247 1.00 0.00 C ATOM 27937 P G B1300 38.710 -71.023 -17.274 1.00 0.00 P ATOM 27938 O1P G B1300 37.772 -70.730 -18.382 1.00 0.00 O ATOM 27939 O2P G B1300 39.948 -70.212 -17.256 1.00 0.00 O ATOM 27940 O5* G B1300 38.005 -70.578 -15.626 1.00 0.00 O ATOM 27941 C5* G B1300 37.970 -69.168 -15.140 1.00 0.00 C ATOM 27942 C4* G B1300 39.284 -68.540 -14.381 1.00 0.00 C ATOM 27943 O4* G B1300 40.285 -69.486 -13.913 1.00 0.00 O ATOM 27944 C3* G B1300 40.092 -67.278 -14.701 1.00 0.00 C ATOM 27945 O3* G B1300 39.213 -66.030 -15.130 1.00 0.00 O ATOM 27946 C2* G B1300 41.161 -67.296 -13.614 1.00 0.00 C ATOM 27947 O2* G B1300 40.618 -66.873 -12.371 1.00 0.00 O ATOM 27948 C1* G B1300 41.450 -68.789 -13.484 1.00 0.00 C ATOM 27949 N9 G B1300 42.808 -69.354 -14.429 1.00 0.00 N ATOM 27950 C8 G B1300 42.939 -69.441 -15.797 1.00 0.00 C ATOM 27951 N7 G B1300 44.060 -70.000 -16.191 1.00 0.00 N ATOM 27952 C5 G B1300 44.716 -70.301 -15.000 1.00 0.00 C ATOM 27953 C6 G B1300 45.971 -70.918 -14.783 1.00 0.00 C ATOM 27954 O6 G B1300 46.784 -71.332 -15.610 1.00 0.00 O ATOM 27955 N1 G B1300 46.256 -71.034 -13.416 1.00 0.00 N ATOM 27956 C2 G B1300 45.433 -70.611 -12.389 1.00 0.00 C ATOM 27957 N2 G B1300 45.891 -70.809 -11.151 1.00 0.00 N ATOM 27958 N3 G B1300 44.255 -70.029 -12.599 1.00 0.00 N ATOM 27959 C4 G B1300 43.963 -69.913 -13.916 1.00 0.00 C ATOM 27960 P A B1301 39.396 -64.243 -14.640 1.00 0.00 P ATOM 27961 O1P A B1301 40.763 -63.755 -14.939 1.00 0.00 O ATOM 27962 O2P A B1301 38.928 -64.039 -13.254 1.00 0.00 O ATOM 27963 O5* A B1301 38.170 -63.430 -15.796 1.00 0.00 O ATOM 27964 C5* A B1301 37.150 -62.446 -16.326 1.00 0.00 C ATOM 27965 C4* A B1301 35.540 -62.958 -16.185 1.00 0.00 C ATOM 27966 O4* A B1301 35.844 -64.312 -15.746 1.00 0.00 O ATOM 27967 C3* A B1301 34.485 -62.476 -15.197 1.00 0.00 C ATOM 27968 O3* A B1301 33.653 -61.117 -15.217 1.00 0.00 O ATOM 27969 C2* A B1301 33.679 -63.749 -14.941 1.00 0.00 C ATOM 27970 O2* A B1301 32.819 -64.030 -16.029 1.00 0.00 O ATOM 27971 C1* A B1301 34.774 -64.812 -14.956 1.00 0.00 C ATOM 27972 N9 A B1301 35.377 -65.215 -13.449 1.00 0.00 N ATOM 27973 C8 A B1301 36.635 -65.678 -13.127 1.00 0.00 C ATOM 27974 N7 A B1301 36.852 -65.748 -11.849 1.00 0.00 N ATOM 27975 C5 A B1301 35.668 -65.308 -11.278 1.00 0.00 C ATOM 27976 C6 A B1301 35.266 -65.147 -9.945 1.00 0.00 C ATOM 27977 N6 A B1301 36.047 -65.425 -8.895 1.00 0.00 N ATOM 27978 N1 A B1301 34.017 -64.685 -9.729 1.00 0.00 N ATOM 27979 C2 A B1301 33.243 -64.405 -10.776 1.00 0.00 C ATOM 27980 N3 A B1301 33.510 -64.516 -12.059 1.00 0.00 N ATOM 27981 C4 A B1301 34.765 -64.978 -12.249 1.00 0.00 C ATOM 27982 P A B1302 31.778 -60.875 -15.014 1.00 0.00 P ATOM 27983 O1P A B1302 31.143 -62.205 -14.839 1.00 0.00 O ATOM 27984 O2P A B1302 31.336 -60.102 -16.198 1.00 0.00 O ATOM 27985 O5* A B1302 31.322 -59.807 -13.506 1.00 0.00 O ATOM 27986 C5* A B1302 30.207 -59.368 -12.530 1.00 0.00 C ATOM 27987 C4* A B1302 30.292 -58.122 -11.374 1.00 0.00 C ATOM 27988 O4* A B1302 30.348 -56.801 -12.000 1.00 0.00 O ATOM 27989 C3* A B1302 29.466 -57.898 -10.112 1.00 0.00 C ATOM 27990 O3* A B1302 29.892 -59.055 -8.888 1.00 0.00 O ATOM 27991 C2* A B1302 29.906 -56.501 -9.685 1.00 0.00 C ATOM 27992 O2* A B1302 31.188 -56.541 -9.079 1.00 0.00 O ATOM 27993 C1* A B1302 30.073 -55.803 -11.032 1.00 0.00 C ATOM 27994 N9 A B1302 28.719 -54.922 -11.545 1.00 0.00 N ATOM 27995 C8 A B1302 28.335 -54.624 -12.829 1.00 0.00 C ATOM 27996 N7 A B1302 27.356 -53.773 -12.904 1.00 0.00 N ATOM 27997 C5 A B1302 27.072 -53.480 -11.581 1.00 0.00 C ATOM 27998 C6 A B1302 26.112 -52.641 -10.981 1.00 0.00 C ATOM 27999 N6 A B1302 25.247 -51.894 -11.677 1.00 0.00 N ATOM 28000 N1 A B1302 26.096 -52.582 -9.637 1.00 0.00 N ATOM 28001 C2 A B1302 26.968 -53.317 -8.952 1.00 0.00 C ATOM 28002 N3 A B1302 27.895 -54.141 -9.399 1.00 0.00 N ATOM 28003 C4 A B1302 27.893 -54.174 -10.746 1.00 0.00 C ATOM 28004 P G B1303 29.712 -58.517 -6.726 1.00 0.00 P ATOM 28005 O1P G B1303 28.658 -59.307 -6.051 1.00 0.00 O ATOM 28006 O2P G B1303 29.271 -57.704 -7.881 1.00 0.00 O ATOM 28007 O5* G B1303 30.911 -59.482 -7.165 1.00 0.00 O ATOM 28008 C5* G B1303 30.873 -60.865 -6.772 1.00 0.00 C ATOM 28009 C4* G B1303 32.031 -61.615 -7.398 1.00 0.00 C ATOM 28010 O4* G B1303 31.826 -61.678 -8.839 1.00 0.00 O ATOM 28011 C3* G B1303 33.405 -60.961 -7.251 1.00 0.00 C ATOM 28012 O3* G B1303 33.995 -61.281 -6.029 1.00 0.00 O ATOM 28013 C2* G B1303 34.164 -61.541 -8.440 1.00 0.00 C ATOM 28014 O2* G B1303 34.551 -62.882 -8.187 1.00 0.00 O ATOM 28015 C1* G B1303 33.076 -61.590 -9.508 1.00 0.00 C ATOM 28016 N9 G B1303 33.042 -60.387 -10.385 1.00 0.00 N ATOM 28017 C8 G B1303 32.145 -59.342 -10.398 1.00 0.00 C ATOM 28018 N7 G B1303 32.402 -58.427 -11.305 1.00 0.00 N ATOM 28019 C5 G B1303 33.550 -58.905 -11.937 1.00 0.00 C ATOM 28020 C6 G B1303 34.300 -58.350 -13.004 1.00 0.00 C ATOM 28021 O6 G B1303 34.105 -57.303 -13.624 1.00 0.00 O ATOM 28022 N1 G B1303 35.395 -59.162 -13.338 1.00 0.00 N ATOM 28023 C2 G B1303 35.718 -60.353 -12.722 1.00 0.00 C ATOM 28024 N2 G B1303 36.802 -60.978 -13.187 1.00 0.00 N ATOM 28025 N3 G B1303 35.014 -60.875 -11.719 1.00 0.00 N ATOM 28026 C4 G B1303 33.949 -60.098 -11.382 1.00 0.00 C ATOM 28027 P A B1304 34.941 -60.170 -5.300 1.00 0.00 P ATOM 28028 O1P A B1304 35.168 -60.539 -3.882 1.00 0.00 O ATOM 28029 O2P A B1304 34.385 -58.819 -5.532 1.00 0.00 O ATOM 28030 O5* A B1304 36.302 -60.346 -6.124 1.00 0.00 O ATOM 28031 C5* A B1304 36.968 -61.623 -6.110 1.00 0.00 C ATOM 28032 C4* A B1304 38.156 -61.599 -7.052 1.00 0.00 C ATOM 28033 O4* A B1304 37.668 -61.496 -8.421 1.00 0.00 O ATOM 28034 C3* A B1304 39.097 -60.401 -6.906 1.00 0.00 C ATOM 28035 O3* A B1304 40.033 -60.610 -5.897 1.00 0.00 O ATOM 28036 C2* A B1304 39.732 -60.324 -8.293 1.00 0.00 C ATOM 28037 O2* A B1304 40.713 -61.333 -8.456 1.00 0.00 O ATOM 28038 C1* A B1304 38.559 -60.702 -9.190 1.00 0.00 C ATOM 28039 N9 A B1304 37.798 -59.526 -9.708 1.00 0.00 N ATOM 28040 C8 A B1304 36.559 -59.062 -9.327 1.00 0.00 C ATOM 28041 N7 A B1304 36.170 -58.006 -9.976 1.00 0.00 N ATOM 28042 C5 A B1304 37.217 -57.746 -10.848 1.00 0.00 C ATOM 28043 C6 A B1304 37.421 -56.746 -11.814 1.00 0.00 C ATOM 28044 N6 A B1304 36.529 -55.779 -12.074 1.00 0.00 N ATOM 28045 N1 A B1304 38.573 -56.777 -12.505 1.00 0.00 N ATOM 28046 C2 A B1304 39.454 -57.742 -12.242 1.00 0.00 C ATOM 28047 N3 A B1304 39.376 -58.723 -11.367 1.00 0.00 N ATOM 28048 C4 A B1304 38.213 -58.666 -10.686 1.00 0.00 C ATOM 28049 P C B1305 40.541 -59.329 -5.020 1.00 0.00 P ATOM 28050 O1P C B1305 41.226 -59.789 -3.793 1.00 0.00 O ATOM 28051 O2P C B1305 39.407 -58.398 -4.816 1.00 0.00 O ATOM 28052 O5* C B1305 41.602 -58.679 -6.023 1.00 0.00 O ATOM 28053 C5* C B1305 42.743 -59.455 -6.431 1.00 0.00 C ATOM 28054 C4* C B1305 43.543 -58.698 -7.472 1.00 0.00 C ATOM 28055 O4* C B1305 42.758 -58.601 -8.693 1.00 0.00 O ATOM 28056 C3* C B1305 43.873 -57.243 -7.130 1.00 0.00 C ATOM 28057 O3* C B1305 45.011 -57.150 -6.335 1.00 0.00 O ATOM 28058 C2* C B1305 44.062 -56.625 -8.512 1.00 0.00 C ATOM 28059 O2* C B1305 45.320 -56.992 -9.057 1.00 0.00 O ATOM 28060 C1* C B1305 43.001 -57.354 -9.327 1.00 0.00 C ATOM 28061 N1 C B1305 41.705 -56.622 -9.415 1.00 0.00 N ATOM 28062 C2 C B1305 41.644 -55.509 -10.245 1.00 0.00 C ATOM 28063 O2 C B1305 42.658 -55.176 -10.872 1.00 0.00 O ATOM 28064 N3 C B1305 40.475 -54.826 -10.339 1.00 0.00 N ATOM 28065 C4 C B1305 39.400 -55.217 -9.644 1.00 0.00 C ATOM 28066 N4 C B1305 38.282 -54.517 -9.769 1.00 0.00 N ATOM 28067 C5 C B1305 39.439 -56.363 -8.783 1.00 0.00 C ATOM 28068 C6 C B1305 40.619 -57.029 -8.703 1.00 0.00 C ATOM 28069 P C B1306 45.093 -55.963 -5.217 1.00 0.00 P ATOM 28070 O1P C B1306 46.178 -56.243 -4.251 1.00 0.00 O ATOM 28071 O2P C B1306 43.751 -55.741 -4.632 1.00 0.00 O ATOM 28072 O5* C B1306 45.497 -54.714 -6.133 1.00 0.00 O ATOM 28073 C5* C B1306 46.731 -54.761 -6.871 1.00 0.00 C ATOM 28074 C4* C B1306 46.853 -53.539 -7.762 1.00 0.00 C ATOM 28075 O4* C B1306 45.841 -53.620 -8.808 1.00 0.00 O ATOM 28076 C3* C B1306 46.578 -52.194 -7.088 1.00 0.00 C ATOM 28077 O3* C B1306 47.712 -51.707 -6.444 1.00 0.00 O ATOM 28078 C2* C B1306 46.152 -51.326 -8.270 1.00 0.00 C ATOM 28079 O2* C B1306 47.276 -50.938 -9.041 1.00 0.00 O ATOM 28080 C1* C B1306 45.358 -52.320 -9.110 1.00 0.00 C ATOM 28081 N1 C B1306 43.893 -52.300 -8.840 1.00 0.00 N ATOM 28082 C2 C B1306 43.157 -51.223 -9.331 1.00 0.00 C ATOM 28083 O2 C B1306 43.747 -50.340 -9.966 1.00 0.00 O ATOM 28084 N3 C B1306 41.822 -51.185 -9.094 1.00 0.00 N ATOM 28085 C4 C B1306 41.223 -52.161 -8.404 1.00 0.00 C ATOM 28086 N4 C B1306 39.917 -52.077 -8.201 1.00 0.00 N ATOM 28087 C5 C B1306 41.960 -53.278 -7.889 1.00 0.00 C ATOM 28088 C6 C B1306 43.294 -53.298 -8.135 1.00 0.00 C ATOM 28089 P A B1307 47.524 -50.846 -5.070 1.00 0.00 P ATOM 28090 O1P A B1307 48.815 -50.735 -4.353 1.00 0.00 O ATOM 28091 O2P A B1307 46.400 -51.404 -4.288 1.00 0.00 O ATOM 28092 O5* A B1307 47.113 -49.417 -5.665 1.00 0.00 O ATOM 28093 C5* A B1307 48.036 -48.731 -6.534 1.00 0.00 C ATOM 28094 C4* A B1307 47.396 -47.469 -7.074 1.00 0.00 C ATOM 28095 O4* A B1307 46.307 -47.837 -7.971 1.00 0.00 O ATOM 28096 C3* A B1307 46.724 -46.564 -6.040 1.00 0.00 C ATOM 28097 O3* A B1307 47.647 -45.714 -5.431 1.00 0.00 O ATOM 28098 C2* A B1307 45.699 -45.815 -6.885 1.00 0.00 C ATOM 28099 O2* A B1307 46.325 -44.804 -7.657 1.00 0.00 O ATOM 28100 C1* A B1307 45.248 -46.901 -7.857 1.00 0.00 C ATOM 28101 N9 A B1307 44.031 -47.635 -7.411 1.00 0.00 N ATOM 28102 C8 A B1307 43.925 -48.910 -6.904 1.00 0.00 C ATOM 28103 N7 A B1307 42.710 -49.260 -6.608 1.00 0.00 N ATOM 28104 C5 A B1307 41.948 -48.150 -6.939 1.00 0.00 C ATOM 28105 C6 A B1307 40.575 -47.883 -6.861 1.00 0.00 C ATOM 28106 N6 A B1307 39.676 -48.765 -6.398 1.00 0.00 N ATOM 28107 N1 A B1307 40.151 -46.675 -7.273 1.00 0.00 N ATOM 28108 C2 A B1307 41.049 -45.802 -7.728 1.00 0.00 C ATOM 28109 N3 A B1307 42.352 -45.935 -7.847 1.00 0.00 N ATOM 28110 C4 A B1307 42.748 -47.152 -7.430 1.00 0.00 C ATOM 28111 P A B1308 49.447 -45.911 -5.436 1.00 0.00 P ATOM 28112 O1P A B1308 49.969 -47.004 -4.586 1.00 0.00 O ATOM 28113 O2P A B1308 49.917 -44.549 -5.100 1.00 0.00 O ATOM 28114 O5* A B1308 49.562 -46.345 -7.221 1.00 0.00 O ATOM 28115 C5* A B1308 49.197 -46.833 -8.590 1.00 0.00 C ATOM 28116 C4* A B1308 49.873 -48.284 -9.030 1.00 0.00 C ATOM 28117 O4* A B1308 51.238 -48.380 -8.523 1.00 0.00 O ATOM 28118 C3* A B1308 49.831 -49.305 -10.171 1.00 0.00 C ATOM 28119 O3* A B1308 48.641 -49.605 -11.078 1.00 0.00 O ATOM 28120 C2* A B1308 51.230 -49.179 -10.766 1.00 0.00 C ATOM 28121 O2* A B1308 51.339 -48.007 -11.553 1.00 0.00 O ATOM 28122 C1* A B1308 52.075 -48.954 -9.515 1.00 0.00 C ATOM 28123 N9 A B1308 52.790 -50.379 -8.863 1.00 0.00 N ATOM 28124 C8 A B1308 54.081 -50.827 -9.008 1.00 0.00 C ATOM 28125 N7 A B1308 54.375 -51.844 -8.256 1.00 0.00 N ATOM 28126 C5 A B1308 53.196 -52.097 -7.564 1.00 0.00 C ATOM 28127 C6 A B1308 52.850 -53.055 -6.599 1.00 0.00 C ATOM 28128 N6 A B1308 53.703 -53.990 -6.152 1.00 0.00 N ATOM 28129 N1 A B1308 51.597 -53.029 -6.116 1.00 0.00 N ATOM 28130 C2 A B1308 50.755 -52.099 -6.567 1.00 0.00 C ATOM 28131 N3 A B1308 50.965 -51.151 -7.458 1.00 0.00 N ATOM 28132 C4 A B1308 52.230 -51.206 -7.927 1.00 0.00 C ATOM 28133 P G B1309 48.551 -48.909 -12.791 1.00 0.00 P ATOM 28134 O1P G B1309 48.813 -47.451 -12.738 1.00 0.00 O ATOM 28135 O2P G B1309 47.284 -49.314 -13.447 1.00 0.00 O ATOM 28136 O5* G B1309 49.920 -49.842 -13.602 1.00 0.00 O ATOM 28137 C5* G B1309 51.320 -49.687 -14.065 1.00 0.00 C ATOM 28138 C4* G B1309 52.268 -51.013 -14.353 1.00 0.00 C ATOM 28139 O4* G B1309 53.718 -50.895 -14.278 1.00 0.00 O ATOM 28140 C3* G B1309 51.973 -52.334 -13.638 1.00 0.00 C ATOM 28141 O3* G B1309 50.491 -52.519 -13.893 1.00 0.00 O ATOM 28142 C2* G B1309 53.166 -53.194 -14.042 1.00 0.00 C ATOM 28143 O2* G B1309 53.024 -53.656 -15.376 1.00 0.00 O ATOM 28144 C1* G B1309 54.297 -52.171 -14.045 1.00 0.00 C ATOM 28145 N9 G B1309 55.214 -52.095 -12.558 1.00 0.00 N ATOM 28146 C8 G B1309 54.848 -51.574 -11.336 1.00 0.00 C ATOM 28147 N7 G B1309 55.709 -51.808 -10.371 1.00 0.00 N ATOM 28148 C5 G B1309 56.715 -52.535 -10.999 1.00 0.00 C ATOM 28149 C6 G B1309 57.917 -53.076 -10.474 1.00 0.00 C ATOM 28150 O6 G B1309 58.348 -53.020 -9.324 1.00 0.00 O ATOM 28151 N1 G B1309 58.652 -53.749 -11.462 1.00 0.00 N ATOM 28152 C2 G B1309 58.278 -53.880 -12.781 1.00 0.00 C ATOM 28153 N2 G B1309 59.118 -54.556 -13.566 1.00 0.00 N ATOM 28154 N3 G B1309 57.146 -53.374 -13.275 1.00 0.00 N ATOM 28155 C4 G B1309 56.422 -52.719 -12.330 1.00 0.00 C ATOM 28156 P G B1310 49.964 -54.207 -14.198 1.00 0.00 P ATOM 28157 O1P G B1310 49.514 -54.795 -12.919 1.00 0.00 O ATOM 28158 O2P G B1310 50.921 -55.020 -14.980 1.00 0.00 O ATOM 28159 O5* G B1310 48.655 -53.623 -15.337 1.00 0.00 O ATOM 28160 C5* G B1310 48.038 -54.197 -16.541 1.00 0.00 C ATOM 28161 C4* G B1310 47.796 -55.775 -16.250 1.00 0.00 C ATOM 28162 O4* G B1310 47.936 -56.171 -14.859 1.00 0.00 O ATOM 28163 C3* G B1310 47.583 -57.096 -16.991 1.00 0.00 C ATOM 28164 O3* G B1310 47.132 -57.451 -18.427 1.00 0.00 O ATOM 28165 C2* G B1310 48.481 -58.048 -16.207 1.00 0.00 C ATOM 28166 O2* G B1310 49.844 -57.852 -16.543 1.00 0.00 O ATOM 28167 C1* G B1310 48.293 -57.542 -14.778 1.00 0.00 C ATOM 28168 N9 G B1310 47.098 -58.352 -13.894 1.00 0.00 N ATOM 28169 C8 G B1310 46.106 -59.191 -14.342 1.00 0.00 C ATOM 28170 N7 G B1310 45.362 -59.697 -13.388 1.00 0.00 N ATOM 28171 C5 G B1310 45.905 -59.154 -12.223 1.00 0.00 C ATOM 28172 C6 G B1310 45.517 -59.334 -10.870 1.00 0.00 C ATOM 28173 O6 G B1310 44.613 -60.018 -10.410 1.00 0.00 O ATOM 28174 N1 G B1310 46.340 -58.593 -10.006 1.00 0.00 N ATOM 28175 C2 G B1310 47.394 -57.785 -10.400 1.00 0.00 C ATOM 28176 N2 G B1310 48.053 -57.161 -9.422 1.00 0.00 N ATOM 28177 N3 G B1310 47.749 -57.620 -11.672 1.00 0.00 N ATOM 28178 C4 G B1310 46.963 -58.326 -12.525 1.00 0.00 C ATOM 28179 P G B1311 48.308 -57.644 -19.854 1.00 0.00 P ATOM 28180 O1P G B1311 49.672 -58.145 -19.557 1.00 0.00 O ATOM 28181 O2P G B1311 48.241 -56.317 -20.499 1.00 0.00 O ATOM 28182 O5* G B1311 47.459 -58.946 -20.892 1.00 0.00 O ATOM 28183 C5* G B1311 47.245 -60.026 -21.929 1.00 0.00 C ATOM 28184 C4* G B1311 48.297 -60.045 -23.231 1.00 0.00 C ATOM 28185 O4* G B1311 49.417 -59.263 -22.729 1.00 0.00 O ATOM 28186 C3* G B1311 48.956 -61.179 -24.014 1.00 0.00 C ATOM 28187 O3* G B1311 48.385 -62.127 -25.185 1.00 0.00 O ATOM 28188 C2* G B1311 50.161 -60.481 -24.635 1.00 0.00 C ATOM 28189 O2* G B1311 49.770 -59.680 -25.735 1.00 0.00 O ATOM 28190 C1* G B1311 50.569 -59.527 -23.515 1.00 0.00 C ATOM 28191 N9 G B1311 51.806 -60.125 -22.477 1.00 0.00 N ATOM 28192 C8 G B1311 52.648 -59.433 -21.637 1.00 0.00 C ATOM 28193 N7 G B1311 53.520 -60.190 -21.011 1.00 0.00 N ATOM 28194 C5 G B1311 53.231 -61.476 -21.462 1.00 0.00 C ATOM 28195 C6 G B1311 53.834 -62.716 -21.141 1.00 0.00 C ATOM 28196 O6 G B1311 54.768 -62.943 -20.377 1.00 0.00 O ATOM 28197 N1 G B1311 53.228 -63.774 -21.834 1.00 0.00 N ATOM 28198 C2 G B1311 52.178 -63.650 -22.720 1.00 0.00 C ATOM 28199 N2 G B1311 51.738 -64.784 -23.277 1.00 0.00 N ATOM 28200 N3 G B1311 51.610 -62.487 -23.022 1.00 0.00 N ATOM 28201 C4 G B1311 52.187 -61.446 -22.361 1.00 0.00 C ATOM 28202 P U B1312 49.558 -63.492 -25.816 1.00 0.00 P ATOM 28203 O1P U B1312 49.250 -64.708 -25.034 1.00 0.00 O ATOM 28204 O2P U B1312 50.940 -62.981 -25.687 1.00 0.00 O ATOM 28205 O5* U B1312 49.339 -63.972 -27.643 1.00 0.00 O ATOM 28206 C5* U B1312 48.889 -64.582 -28.985 1.00 0.00 C ATOM 28207 C4* U B1312 49.917 -65.527 -29.960 1.00 0.00 C ATOM 28208 O4* U B1312 51.219 -64.919 -29.707 1.00 0.00 O ATOM 28209 C3* U B1312 50.109 -66.991 -29.560 1.00 0.00 C ATOM 28210 O3* U B1312 49.097 -67.886 -30.432 1.00 0.00 O ATOM 28211 C2* U B1312 51.549 -67.257 -29.988 1.00 0.00 C ATOM 28212 O2* U B1312 51.629 -67.426 -31.394 1.00 0.00 O ATOM 28213 C1* U B1312 52.221 -65.921 -29.663 1.00 0.00 C ATOM 28214 N1 U B1312 52.969 -65.858 -28.147 1.00 0.00 N ATOM 28215 C2 U B1312 54.062 -66.668 -27.957 1.00 0.00 C ATOM 28216 O2 U B1312 54.446 -67.473 -28.794 1.00 0.00 O ATOM 28217 N3 U B1312 54.715 -66.511 -26.751 1.00 0.00 N ATOM 28218 C4 U B1312 54.371 -65.634 -25.741 1.00 0.00 C ATOM 28219 O4 U B1312 55.031 -65.582 -24.705 1.00 0.00 O ATOM 28220 C5 U B1312 53.207 -64.832 -26.032 1.00 0.00 C ATOM 28221 C6 U B1312 52.556 -64.961 -27.198 1.00 0.00 C ATOM 28222 P U B1313 49.053 -69.728 -30.671 1.00 0.00 P ATOM 28223 O1P U B1313 50.005 -70.349 -31.619 1.00 0.00 O ATOM 28224 O2P U B1313 47.634 -70.100 -30.840 1.00 0.00 O ATOM 28225 O5* U B1313 49.519 -70.026 -29.167 1.00 0.00 O ATOM 28226 C5* U B1313 49.867 -68.923 -28.311 1.00 0.00 C ATOM 28227 C4* U B1313 50.154 -69.426 -26.910 1.00 0.00 C ATOM 28228 O4* U B1313 48.913 -69.917 -26.323 1.00 0.00 O ATOM 28229 C3* U B1313 51.105 -70.616 -26.810 1.00 0.00 C ATOM 28230 O3* U B1313 52.438 -70.209 -26.823 1.00 0.00 O ATOM 28231 C2* U B1313 50.693 -71.245 -25.481 1.00 0.00 C ATOM 28232 O2* U B1313 51.203 -70.493 -24.390 1.00 0.00 O ATOM 28233 C1* U B1313 49.185 -71.036 -25.496 1.00 0.00 C ATOM 28234 N1 U B1313 48.427 -72.201 -26.035 1.00 0.00 N ATOM 28235 C2 U B1313 48.322 -73.309 -25.227 1.00 0.00 C ATOM 28236 O2 U B1313 48.815 -73.365 -24.115 1.00 0.00 O ATOM 28237 N3 U B1313 47.613 -74.365 -25.763 1.00 0.00 N ATOM 28238 C4 U B1313 47.016 -74.409 -27.005 1.00 0.00 C ATOM 28239 O4 U B1313 46.404 -75.414 -27.373 1.00 0.00 O ATOM 28240 C5 U B1313 47.177 -73.201 -27.778 1.00 0.00 C ATOM 28241 C6 U B1313 47.863 -72.156 -27.284 1.00 0.00 C ATOM 28242 P C B1314 53.545 -71.174 -27.532 1.00 0.00 P ATOM 28243 O1P C B1314 54.801 -70.424 -27.771 1.00 0.00 O ATOM 28244 O2P C B1314 52.948 -71.818 -28.722 1.00 0.00 O ATOM 28245 O5* C B1314 53.778 -72.262 -26.383 1.00 0.00 O ATOM 28246 C5* C B1314 54.273 -71.830 -25.102 1.00 0.00 C ATOM 28247 C4* C B1314 54.297 -72.998 -24.136 1.00 0.00 C ATOM 28248 O4* C B1314 52.925 -73.393 -23.842 1.00 0.00 O ATOM 28249 C3* C B1314 54.947 -74.280 -24.655 1.00 0.00 C ATOM 28250 O3* C B1314 56.330 -74.253 -24.493 1.00 0.00 O ATOM 28251 C2* C B1314 54.273 -75.350 -23.798 1.00 0.00 C ATOM 28252 O2* C B1314 54.819 -75.362 -22.490 1.00 0.00 O ATOM 28253 C1* C B1314 52.854 -74.800 -23.678 1.00 0.00 C ATOM 28254 N1 C B1314 51.918 -75.337 -24.704 1.00 0.00 N ATOM 28255 C2 C B1314 51.475 -76.647 -24.557 1.00 0.00 C ATOM 28256 O2 C B1314 51.873 -77.306 -23.589 1.00 0.00 O ATOM 28257 N3 C B1314 50.622 -77.156 -25.482 1.00 0.00 N ATOM 28258 C4 C B1314 50.213 -76.411 -26.517 1.00 0.00 C ATOM 28259 N4 C B1314 49.379 -76.952 -27.389 1.00 0.00 N ATOM 28260 C5 C B1314 50.656 -75.060 -26.687 1.00 0.00 C ATOM 28261 C6 C B1314 51.509 -74.572 -25.752 1.00 0.00 C ATOM 28262 P C B1315 57.267 -74.992 -25.609 1.00 0.00 P ATOM 28263 O1P C B1315 58.671 -74.549 -25.472 1.00 0.00 O ATOM 28264 O2P C B1315 56.662 -74.818 -26.948 1.00 0.00 O ATOM 28265 O5* C B1315 57.132 -76.520 -25.146 1.00 0.00 O ATOM 28266 C5* C B1315 57.576 -76.893 -23.830 1.00 0.00 C ATOM 28267 C4* C B1315 57.242 -78.347 -23.564 1.00 0.00 C ATOM 28268 O4* C B1315 55.794 -78.489 -23.474 1.00 0.00 O ATOM 28269 C3* C B1315 57.643 -79.334 -24.657 1.00 0.00 C ATOM 28270 O3* C B1315 58.975 -79.726 -24.531 1.00 0.00 O ATOM 28271 C2* C B1315 56.664 -80.482 -24.424 1.00 0.00 C ATOM 28272 O2* C B1315 57.060 -81.258 -23.305 1.00 0.00 O ATOM 28273 C1* C B1315 55.400 -79.734 -24.022 1.00 0.00 C ATOM 28274 N1 C B1315 54.476 -79.466 -25.160 1.00 0.00 N ATOM 28275 C2 C B1315 53.741 -80.534 -25.667 1.00 0.00 C ATOM 28276 O2 C B1315 53.885 -81.650 -25.158 1.00 0.00 O ATOM 28277 N3 C B1315 52.895 -80.310 -26.705 1.00 0.00 N ATOM 28278 C4 C B1315 52.771 -79.083 -27.231 1.00 0.00 C ATOM 28279 N4 C B1315 51.931 -78.919 -28.240 1.00 0.00 N ATOM 28280 C5 C B1315 53.517 -77.972 -26.723 1.00 0.00 C ATOM 28281 C6 C B1315 54.357 -78.219 -25.684 1.00 0.00 C ATOM 28282 P U B1316 59.833 -80.038 -25.888 1.00 0.00 P ATOM 28283 O1P U B1316 61.278 -80.073 -25.580 1.00 0.00 O ATOM 28284 O2P U B1316 59.423 -79.100 -26.956 1.00 0.00 O ATOM 28285 O5* U B1316 59.318 -81.512 -26.235 1.00 0.00 O ATOM 28286 C5* U B1316 59.533 -82.570 -25.281 1.00 0.00 C ATOM 28287 C4* U B1316 58.860 -83.841 -25.757 1.00 0.00 C ATOM 28288 O4* U B1316 57.415 -83.653 -25.720 1.00 0.00 O ATOM 28289 C3* U B1316 59.141 -84.243 -27.205 1.00 0.00 C ATOM 28290 O3* U B1316 60.332 -84.955 -27.314 1.00 0.00 O ATOM 28291 C2* U B1316 57.916 -85.088 -27.545 1.00 0.00 C ATOM 28292 O2* U B1316 58.011 -86.375 -26.960 1.00 0.00 O ATOM 28293 C1* U B1316 56.812 -84.345 -26.802 1.00 0.00 C ATOM 28294 N1 U B1316 56.091 -83.345 -27.640 1.00 0.00 N ATOM 28295 C2 U B1316 55.210 -83.831 -28.575 1.00 0.00 C ATOM 28296 O2 U B1316 55.004 -85.022 -28.735 1.00 0.00 O ATOM 28297 N3 U B1316 54.562 -82.875 -29.335 1.00 0.00 N ATOM 28298 C4 U B1316 54.721 -81.510 -29.238 1.00 0.00 C ATOM 28299 O4 U B1316 54.084 -80.751 -29.975 1.00 0.00 O ATOM 28300 C5 U B1316 55.667 -81.094 -28.230 1.00 0.00 C ATOM 28301 C6 U B1316 56.309 -82.002 -27.477 1.00 0.00 C ATOM 28302 P G B1317 61.235 -84.773 -28.664 1.00 0.00 P ATOM 28303 O1P G B1317 62.599 -85.301 -28.443 1.00 0.00 O ATOM 28304 O2P G B1317 61.153 -83.371 -29.126 1.00 0.00 O ATOM 28305 O5* G B1317 60.444 -85.725 -29.685 1.00 0.00 O ATOM 28306 C5* G B1317 60.321 -87.127 -29.377 1.00 0.00 C ATOM 28307 C4* G B1317 59.437 -87.804 -30.402 1.00 0.00 C ATOM 28308 O4* G B1317 58.074 -87.314 -30.248 1.00 0.00 O ATOM 28309 C3* G B1317 59.769 -87.513 -31.864 1.00 0.00 C ATOM 28310 O3* G B1317 60.778 -88.349 -32.337 1.00 0.00 O ATOM 28311 C2* G B1317 58.430 -87.764 -32.553 1.00 0.00 C ATOM 28312 O2* G B1317 58.179 -89.153 -32.678 1.00 0.00 O ATOM 28313 C1* G B1317 57.447 -87.228 -31.517 1.00 0.00 C ATOM 28314 N9 G B1317 57.055 -85.810 -31.741 1.00 0.00 N ATOM 28315 C8 G B1317 57.442 -84.679 -31.052 1.00 0.00 C ATOM 28316 N7 G B1317 56.912 -83.570 -31.506 1.00 0.00 N ATOM 28317 C5 G B1317 56.118 -83.993 -32.573 1.00 0.00 C ATOM 28318 C6 G B1317 55.299 -83.242 -33.455 1.00 0.00 C ATOM 28319 O6 G B1317 55.097 -82.032 -33.479 1.00 0.00 O ATOM 28320 N1 G B1317 54.667 -84.072 -34.392 1.00 0.00 N ATOM 28321 C2 G B1317 54.812 -85.442 -34.471 1.00 0.00 C ATOM 28322 N2 G B1317 54.126 -86.053 -35.438 1.00 0.00 N ATOM 28323 N3 G B1317 55.581 -86.144 -33.644 1.00 0.00 N ATOM 28324 C4 G B1317 56.199 -85.357 -32.724 1.00 0.00 C ATOM 28325 P U B1318 61.828 -87.765 -33.441 1.00 0.00 P ATOM 28326 O1P U B1318 63.015 -88.647 -33.536 1.00 0.00 O ATOM 28327 O2P U B1318 62.111 -86.343 -33.149 1.00 0.00 O ATOM 28328 O5* U B1318 60.958 -87.884 -34.778 1.00 0.00 O ATOM 28329 C5* U B1318 60.500 -89.183 -35.197 1.00 0.00 C ATOM 28330 C4* U B1318 59.594 -89.048 -36.406 1.00 0.00 C ATOM 28331 O4* U B1318 58.365 -88.375 -36.002 1.00 0.00 O ATOM 28332 C3* U B1318 60.131 -88.177 -37.545 1.00 0.00 C ATOM 28333 O3* U B1318 60.974 -88.897 -38.388 1.00 0.00 O ATOM 28334 C2* U B1318 58.845 -87.729 -38.238 1.00 0.00 C ATOM 28335 O2* U B1318 58.308 -88.780 -39.026 1.00 0.00 O ATOM 28336 C1* U B1318 57.905 -87.540 -37.052 1.00 0.00 C ATOM 28337 N1 U B1318 57.863 -86.141 -36.541 1.00 0.00 N ATOM 28338 C2 U B1318 57.182 -85.218 -37.299 1.00 0.00 C ATOM 28339 O2 U B1318 56.628 -85.500 -38.347 1.00 0.00 O ATOM 28340 N3 U B1318 57.164 -83.934 -36.793 1.00 0.00 N ATOM 28341 C4 U B1318 57.756 -83.506 -35.624 1.00 0.00 C ATOM 28342 O4 U B1318 57.672 -82.327 -35.273 1.00 0.00 O ATOM 28343 C5 U B1318 58.446 -84.544 -34.898 1.00 0.00 C ATOM 28344 C6 U B1318 58.480 -85.802 -35.366 1.00 0.00 C ATOM 28345 P C B1319 62.237 -88.130 -39.083 1.00 0.00 P ATOM 28346 O1P C B1319 63.199 -89.113 -39.624 1.00 0.00 O ATOM 28347 O2P C B1319 62.791 -87.137 -38.133 1.00 0.00 O ATOM 28348 O5* C B1319 61.498 -87.375 -40.286 1.00 0.00 O ATOM 28349 C5* C B1319 60.809 -88.153 -41.282 1.00 0.00 C ATOM 28350 C4* C B1319 60.087 -87.239 -42.246 1.00 0.00 C ATOM 28351 O4* C B1319 58.998 -86.570 -41.539 1.00 0.00 O ATOM 28352 C3* C B1319 60.913 -86.087 -42.819 1.00 0.00 C ATOM 28353 O3* C B1319 61.657 -86.494 -43.926 1.00 0.00 O ATOM 28354 C2* C B1319 59.836 -85.063 -43.178 1.00 0.00 C ATOM 28355 O2* C B1319 59.165 -85.440 -44.368 1.00 0.00 O ATOM 28356 C1* C B1319 58.847 -85.248 -42.034 1.00 0.00 C ATOM 28357 N1 C B1319 59.063 -84.305 -40.901 1.00 0.00 N ATOM 28358 C2 C B1319 58.682 -82.979 -41.078 1.00 0.00 C ATOM 28359 O2 C B1319 58.190 -82.639 -42.160 1.00 0.00 O ATOM 28360 N3 C B1319 58.872 -82.101 -40.058 1.00 0.00 N ATOM 28361 C4 C B1319 59.410 -82.511 -38.901 1.00 0.00 C ATOM 28362 N4 C B1319 59.574 -81.618 -37.936 1.00 0.00 N ATOM 28363 C5 C B1319 59.806 -83.872 -38.699 1.00 0.00 C ATOM 28364 C6 C B1319 59.611 -84.729 -39.730 1.00 0.00 C ATOM 28365 P C B1320 63.122 -85.818 -44.181 1.00 0.00 P ATOM 28366 O1P C B1320 63.894 -86.621 -45.154 1.00 0.00 O ATOM 28367 O2P C B1320 63.782 -85.574 -42.879 1.00 0.00 O ATOM 28368 O5* C B1320 62.699 -84.423 -44.842 1.00 0.00 O ATOM 28369 C5* C B1320 61.958 -84.433 -46.075 1.00 0.00 C ATOM 28370 C4* C B1320 61.558 -83.021 -46.451 1.00 0.00 C ATOM 28371 O4* C B1320 60.582 -82.534 -45.485 1.00 0.00 O ATOM 28372 C3* C B1320 62.674 -81.976 -46.402 1.00 0.00 C ATOM 28373 O3* C B1320 63.419 -81.966 -47.580 1.00 0.00 O ATOM 28374 C2* C B1320 61.892 -80.682 -46.188 1.00 0.00 C ATOM 28375 O2* C B1320 61.277 -80.260 -47.397 1.00 0.00 O ATOM 28376 C1* C B1320 60.773 -81.147 -45.263 1.00 0.00 C ATOM 28377 N1 C B1320 61.075 -80.953 -43.816 1.00 0.00 N ATOM 28378 C2 C B1320 61.019 -79.656 -43.310 1.00 0.00 C ATOM 28379 O2 C B1320 60.727 -78.732 -44.074 1.00 0.00 O ATOM 28380 N3 C B1320 61.293 -79.458 -41.996 1.00 0.00 N ATOM 28381 C4 C B1320 61.606 -80.488 -41.198 1.00 0.00 C ATOM 28382 N4 C B1320 61.862 -80.240 -39.924 1.00 0.00 N ATOM 28383 C5 C B1320 61.667 -81.830 -41.700 1.00 0.00 C ATOM 28384 C6 C B1320 61.395 -82.006 -43.017 1.00 0.00 C ATOM 28385 P A B1321 64.523 -81.058 -48.783 1.00 0.00 P ATOM 28386 O1P A B1321 64.641 -79.609 -48.505 1.00 0.00 O ATOM 28387 O2P A B1321 64.029 -81.425 -50.128 1.00 0.00 O ATOM 28388 O5* A B1321 66.169 -81.947 -48.585 1.00 0.00 O ATOM 28389 C5* A B1321 67.663 -81.919 -48.752 1.00 0.00 C ATOM 28390 C4* A B1321 68.711 -83.188 -48.488 1.00 0.00 C ATOM 28391 O4* A B1321 69.035 -84.076 -49.596 1.00 0.00 O ATOM 28392 C3* A B1321 70.001 -83.147 -47.657 1.00 0.00 C ATOM 28393 O3* A B1321 69.784 -82.889 -46.118 1.00 0.00 O ATOM 28394 C2* A B1321 70.511 -84.578 -47.804 1.00 0.00 C ATOM 28395 O2* A B1321 69.773 -85.463 -46.983 1.00 0.00 O ATOM 28396 C1* A B1321 70.141 -84.895 -49.250 1.00 0.00 C ATOM 28397 N9 A B1321 71.378 -84.623 -50.372 1.00 0.00 N ATOM 28398 C8 A B1321 72.359 -85.491 -50.795 1.00 0.00 C ATOM 28399 N7 A B1321 73.221 -84.956 -51.604 1.00 0.00 N ATOM 28400 C5 A B1321 72.789 -83.640 -51.733 1.00 0.00 C ATOM 28401 C6 A B1321 73.286 -82.548 -52.463 1.00 0.00 C ATOM 28402 N6 A B1321 74.376 -82.614 -53.241 1.00 0.00 N ATOM 28403 N1 A B1321 72.611 -81.385 -52.367 1.00 0.00 N ATOM 28404 C2 A B1321 71.529 -81.330 -51.596 1.00 0.00 C ATOM 28405 N3 A B1321 70.977 -82.279 -50.868 1.00 0.00 N ATOM 28406 C4 A B1321 71.668 -83.435 -50.985 1.00 0.00 C ATOM 28407 P A B1322 70.547 -83.864 -44.709 1.00 0.00 P ATOM 28408 O1P A B1322 69.953 -83.303 -43.472 1.00 0.00 O ATOM 28409 O2P A B1322 72.028 -83.878 -44.760 1.00 0.00 O ATOM 28410 O5* A B1322 69.874 -85.590 -44.907 1.00 0.00 O ATOM 28411 C5* A B1322 69.815 -86.975 -45.436 1.00 0.00 C ATOM 28412 C4* A B1322 68.405 -87.442 -46.238 1.00 0.00 C ATOM 28413 O4* A B1322 67.879 -88.606 -45.537 1.00 0.00 O ATOM 28414 C3* A B1322 67.249 -86.436 -46.192 1.00 0.00 C ATOM 28415 O3* A B1322 67.313 -84.909 -46.522 1.00 0.00 O ATOM 28416 C2* A B1322 66.030 -87.344 -46.332 1.00 0.00 C ATOM 28417 O2* A B1322 65.868 -87.773 -47.672 1.00 0.00 O ATOM 28418 C1* A B1322 66.463 -88.568 -45.525 1.00 0.00 C ATOM 28419 N9 A B1322 65.943 -88.572 -43.908 1.00 0.00 N ATOM 28420 C8 A B1322 64.682 -88.819 -43.417 1.00 0.00 C ATOM 28421 N7 A B1322 64.631 -88.894 -42.124 1.00 0.00 N ATOM 28422 C5 A B1322 65.944 -88.692 -41.719 1.00 0.00 C ATOM 28423 C6 A B1322 66.546 -88.651 -40.453 1.00 0.00 C ATOM 28424 N6 A B1322 65.874 -88.823 -39.306 1.00 0.00 N ATOM 28425 N1 A B1322 67.874 -88.420 -40.411 1.00 0.00 N ATOM 28426 C2 A B1322 68.535 -88.254 -41.555 1.00 0.00 C ATOM 28427 N3 A B1322 68.079 -88.270 -42.787 1.00 0.00 N ATOM 28428 C4 A B1322 66.750 -88.496 -42.799 1.00 0.00 C ATOM 28429 P C B1323 66.762 -84.043 -44.941 1.00 0.00 P ATOM 28430 O1P C B1323 67.756 -84.300 -43.877 1.00 0.00 O ATOM 28431 O2P C B1323 65.445 -84.691 -44.764 1.00 0.00 O ATOM 28432 O5* C B1323 66.567 -82.464 -45.129 1.00 0.00 O ATOM 28433 C5* C B1323 65.920 -81.975 -46.317 1.00 0.00 C ATOM 28434 C4* C B1323 65.733 -80.476 -46.228 1.00 0.00 C ATOM 28435 O4* C B1323 64.763 -80.183 -45.177 1.00 0.00 O ATOM 28436 C3* C B1323 66.969 -79.674 -45.818 1.00 0.00 C ATOM 28437 O3* C B1323 67.787 -79.403 -46.912 1.00 0.00 O ATOM 28438 C2* C B1323 66.348 -78.414 -45.218 1.00 0.00 C ATOM 28439 O2* C B1323 65.879 -77.550 -46.238 1.00 0.00 O ATOM 28440 C1* C B1323 65.116 -78.981 -44.517 1.00 0.00 C ATOM 28441 N1 C B1323 65.341 -79.297 -43.078 1.00 0.00 N ATOM 28442 C2 C B1323 65.420 -78.233 -42.184 1.00 0.00 C ATOM 28443 O2 C B1323 65.304 -77.079 -42.616 1.00 0.00 O ATOM 28444 N3 C B1323 65.625 -78.503 -40.868 1.00 0.00 N ATOM 28445 C4 C B1323 65.746 -79.765 -40.438 1.00 0.00 C ATOM 28446 N4 C B1323 65.945 -79.974 -39.146 1.00 0.00 N ATOM 28447 C5 C B1323 65.668 -80.873 -41.345 1.00 0.00 C ATOM 28448 C6 C B1323 65.466 -80.584 -42.654 1.00 0.00 C ATOM 28449 P G B1324 69.405 -79.341 -46.686 1.00 0.00 P ATOM 28450 O1P G B1324 70.104 -79.412 -47.989 1.00 0.00 O ATOM 28451 O2P G B1324 69.799 -80.361 -45.688 1.00 0.00 O ATOM 28452 O5* G B1324 69.567 -77.880 -46.062 1.00 0.00 O ATOM 28453 C5* G B1324 69.152 -76.740 -46.835 1.00 0.00 C ATOM 28454 C4* G B1324 69.281 -75.476 -46.008 1.00 0.00 C ATOM 28455 O4* G B1324 68.301 -75.517 -44.931 1.00 0.00 O ATOM 28456 C3* G B1324 70.613 -75.286 -45.282 1.00 0.00 C ATOM 28457 O3* G B1324 71.570 -74.712 -46.116 1.00 0.00 O ATOM 28458 C2* G B1324 70.217 -74.377 -44.121 1.00 0.00 C ATOM 28459 O2* G B1324 70.042 -73.041 -44.566 1.00 0.00 O ATOM 28460 C1* G B1324 68.835 -74.910 -43.767 1.00 0.00 C ATOM 28461 N9 G B1324 68.850 -75.933 -42.681 1.00 0.00 N ATOM 28462 C8 G B1324 68.677 -77.295 -42.769 1.00 0.00 C ATOM 28463 N7 G B1324 68.748 -77.916 -41.614 1.00 0.00 N ATOM 28464 C5 G B1324 68.988 -76.889 -40.699 1.00 0.00 C ATOM 28465 C6 G B1324 69.155 -76.941 -39.293 1.00 0.00 C ATOM 28466 O6 G B1324 69.131 -77.918 -38.549 1.00 0.00 O ATOM 28467 N1 G B1324 69.376 -75.664 -38.758 1.00 0.00 N ATOM 28468 C2 G B1324 69.423 -74.492 -39.484 1.00 0.00 C ATOM 28469 N2 G B1324 69.645 -73.376 -38.787 1.00 0.00 N ATOM 28470 N3 G B1324 69.263 -74.446 -40.805 1.00 0.00 N ATOM 28471 C4 G B1324 69.047 -75.675 -41.344 1.00 0.00 C ATOM 28472 P U B1325 73.158 -75.595 -46.577 1.00 0.00 P ATOM 28473 O1P U B1325 73.403 -75.335 -48.015 1.00 0.00 O ATOM 28474 O2P U B1325 73.067 -77.015 -46.180 1.00 0.00 O ATOM 28475 O5* U B1325 74.524 -74.768 -45.594 1.00 0.00 O ATOM 28476 C5* U B1325 75.575 -73.739 -45.312 1.00 0.00 C ATOM 28477 C4* U B1325 77.281 -73.801 -44.973 1.00 0.00 C ATOM 28478 O4* U B1325 77.370 -74.684 -43.818 1.00 0.00 O ATOM 28479 C3* U B1325 78.333 -72.727 -44.696 1.00 0.00 C ATOM 28480 O3* U B1325 79.785 -72.262 -45.297 1.00 0.00 O ATOM 28481 C2* U B1325 78.234 -72.567 -43.178 1.00 0.00 C ATOM 28482 O2* U B1325 77.084 -71.818 -42.825 1.00 0.00 O ATOM 28483 C1* U B1325 77.977 -74.001 -42.734 1.00 0.00 C ATOM 28484 N1 U B1325 79.360 -74.855 -42.276 1.00 0.00 N ATOM 28485 C2 U B1325 79.373 -75.388 -41.011 1.00 0.00 C ATOM 28486 O2 U B1325 78.476 -75.199 -40.211 1.00 0.00 O ATOM 28487 N3 U B1325 80.477 -76.164 -40.703 1.00 0.00 N ATOM 28488 C4 U B1325 81.541 -76.441 -41.537 1.00 0.00 C ATOM 28489 O4 U B1325 82.471 -77.139 -41.149 1.00 0.00 O ATOM 28490 C5 U B1325 81.439 -75.832 -42.841 1.00 0.00 C ATOM 28491 C6 U B1325 80.375 -75.077 -43.168 1.00 0.00 C ATOM 28492 P U B1326 80.340 -71.522 -46.950 1.00 0.00 P ATOM 28493 O1P U B1326 79.216 -70.839 -47.622 1.00 0.00 O ATOM 28494 O2P U B1326 80.959 -72.639 -47.704 1.00 0.00 O ATOM 28495 O5* U B1326 81.630 -70.149 -46.738 1.00 0.00 O ATOM 28496 C5* U B1326 82.670 -69.068 -46.479 1.00 0.00 C ATOM 28497 C4* U B1326 82.968 -69.154 -44.775 1.00 0.00 C ATOM 28498 O4* U B1326 82.201 -70.368 -44.514 1.00 0.00 O ATOM 28499 C3* U B1326 82.634 -68.249 -43.583 1.00 0.00 C ATOM 28500 O3* U B1326 83.495 -68.251 -42.089 1.00 0.00 O ATOM 28501 C2* U B1326 81.168 -68.591 -43.326 1.00 0.00 C ATOM 28502 O2* U B1326 80.330 -67.971 -44.285 1.00 0.00 O ATOM 28503 C1* U B1326 81.145 -70.087 -43.612 1.00 0.00 C ATOM 28504 N1 U B1326 81.330 -71.034 -42.295 1.00 0.00 N ATOM 28505 C2 U B1326 80.365 -70.939 -41.324 1.00 0.00 C ATOM 28506 O2 U B1326 79.324 -70.317 -41.476 1.00 0.00 O ATOM 28507 N3 U B1326 80.652 -71.593 -40.137 1.00 0.00 N ATOM 28508 C4 U B1326 81.785 -72.326 -39.858 1.00 0.00 C ATOM 28509 O4 U B1326 81.928 -72.870 -38.760 1.00 0.00 O ATOM 28510 C5 U B1326 82.738 -72.366 -40.941 1.00 0.00 C ATOM 28511 C6 U B1326 82.488 -71.740 -42.100 1.00 0.00 C ATOM 28512 P A B1327 84.435 -69.686 -41.091 1.00 0.00 P ATOM 28513 O1P A B1327 85.708 -69.422 -40.384 1.00 0.00 O ATOM 28514 O2P A B1327 84.548 -70.408 -42.376 1.00 0.00 O ATOM 28515 O5* A B1327 83.798 -70.418 -39.341 1.00 0.00 O ATOM 28516 C5* A B1327 83.377 -70.920 -37.775 1.00 0.00 C ATOM 28517 C4* A B1327 83.923 -71.554 -36.156 1.00 0.00 C ATOM 28518 O4* A B1327 83.984 -70.596 -35.061 1.00 0.00 O ATOM 28519 C3* A B1327 83.508 -72.863 -35.479 1.00 0.00 C ATOM 28520 O3* A B1327 81.989 -73.453 -34.956 1.00 0.00 O ATOM 28521 C2* A B1327 84.236 -72.775 -34.142 1.00 0.00 C ATOM 28522 O2* A B1327 85.616 -73.061 -34.298 1.00 0.00 O ATOM 28523 C1* A B1327 84.124 -71.287 -33.827 1.00 0.00 C ATOM 28524 N9 A B1327 82.878 -70.893 -32.882 1.00 0.00 N ATOM 28525 C8 A B1327 81.998 -71.737 -32.241 1.00 0.00 C ATOM 28526 N7 A B1327 80.942 -71.148 -31.776 1.00 0.00 N ATOM 28527 C5 A B1327 81.122 -69.814 -32.126 1.00 0.00 C ATOM 28528 C6 A B1327 80.339 -68.664 -31.918 1.00 0.00 C ATOM 28529 N6 A B1327 79.165 -68.678 -31.275 1.00 0.00 N ATOM 28530 N1 A B1327 80.814 -67.502 -32.401 1.00 0.00 N ATOM 28531 C2 A B1327 81.980 -67.494 -33.037 1.00 0.00 C ATOM 28532 N3 A B1327 82.793 -68.496 -33.294 1.00 0.00 N ATOM 28533 C4 A B1327 82.299 -69.652 -32.795 1.00 0.00 C ATOM 28534 P A B1328 80.266 -72.685 -35.309 1.00 0.00 P ATOM 28535 O1P A B1328 79.477 -73.531 -36.231 1.00 0.00 O ATOM 28536 O2P A B1328 80.798 -71.428 -35.882 1.00 0.00 O ATOM 28537 O5* A B1328 79.174 -72.065 -33.863 1.00 0.00 O ATOM 28538 C5* A B1328 77.943 -71.781 -32.962 1.00 0.00 C ATOM 28539 C4* A B1328 76.967 -70.444 -32.501 1.00 0.00 C ATOM 28540 O4* A B1328 77.244 -69.016 -32.589 1.00 0.00 O ATOM 28541 C3* A B1328 75.550 -70.509 -31.933 1.00 0.00 C ATOM 28542 O3* A B1328 75.150 -71.863 -31.321 1.00 0.00 O ATOM 28543 C2* A B1328 75.540 -69.325 -30.965 1.00 0.00 C ATOM 28544 O2* A B1328 76.245 -69.642 -29.779 1.00 0.00 O ATOM 28545 C1* A B1328 76.380 -68.300 -31.725 1.00 0.00 C ATOM 28546 N9 A B1328 75.445 -67.151 -32.695 1.00 0.00 N ATOM 28547 C8 A B1328 74.782 -66.019 -32.277 1.00 0.00 C ATOM 28548 N7 A B1328 74.292 -65.307 -33.241 1.00 0.00 N ATOM 28549 C5 A B1328 74.657 -66.000 -34.387 1.00 0.00 C ATOM 28550 C6 A B1328 74.438 -65.756 -35.753 1.00 0.00 C ATOM 28551 N6 A B1328 73.762 -64.691 -36.213 1.00 0.00 N ATOM 28552 N1 A B1328 74.933 -66.645 -36.629 1.00 0.00 N ATOM 28553 C2 A B1328 75.603 -67.703 -36.162 1.00 0.00 C ATOM 28554 N3 A B1328 75.868 -68.034 -34.917 1.00 0.00 N ATOM 28555 C4 A B1328 75.359 -67.130 -34.063 1.00 0.00 C ATOM 28556 P U B1329 74.771 -73.161 -32.552 1.00 0.00 P ATOM 28557 O1P U B1329 75.981 -73.826 -33.090 1.00 0.00 O ATOM 28558 O2P U B1329 73.808 -72.657 -33.555 1.00 0.00 O ATOM 28559 O5* U B1329 73.884 -74.157 -31.314 1.00 0.00 O ATOM 28560 C5* U B1329 72.558 -74.571 -31.706 1.00 0.00 C ATOM 28561 C4* U B1329 72.347 -76.175 -31.797 1.00 0.00 C ATOM 28562 O4* U B1329 73.410 -77.000 -32.353 1.00 0.00 O ATOM 28563 C3* U B1329 71.930 -76.919 -30.524 1.00 0.00 C ATOM 28564 O3* U B1329 71.160 -76.240 -29.431 1.00 0.00 O ATOM 28565 C2* U B1329 72.076 -78.375 -30.948 1.00 0.00 C ATOM 28566 O2* U B1329 70.996 -78.774 -31.774 1.00 0.00 O ATOM 28567 C1* U B1329 73.316 -78.319 -31.834 1.00 0.00 C ATOM 28568 N1 U B1329 74.774 -78.686 -31.037 1.00 0.00 N ATOM 28569 C2 U B1329 75.033 -80.013 -30.787 1.00 0.00 C ATOM 28570 O2 U B1329 74.251 -80.899 -31.067 1.00 0.00 O ATOM 28571 N3 U B1329 76.251 -80.274 -30.193 1.00 0.00 N ATOM 28572 C4 U B1329 77.209 -79.344 -29.835 1.00 0.00 C ATOM 28573 O4 U B1329 78.262 -79.704 -29.308 1.00 0.00 O ATOM 28574 C5 U B1329 76.843 -77.982 -30.139 1.00 0.00 C ATOM 28575 C6 U B1329 75.668 -77.698 -30.719 1.00 0.00 C ATOM 28576 P C B1330 69.406 -76.101 -28.960 1.00 0.00 P ATOM 28577 O1P C B1330 69.331 -75.507 -27.607 1.00 0.00 O ATOM 28578 O2P C B1330 68.468 -77.214 -29.229 1.00 0.00 O ATOM 28579 O5* C B1330 69.217 -74.956 -30.062 1.00 0.00 O ATOM 28580 C5* C B1330 69.606 -73.608 -29.743 1.00 0.00 C ATOM 28581 C4* C B1330 69.460 -72.721 -30.967 1.00 0.00 C ATOM 28582 O4* C B1330 70.445 -73.123 -31.959 1.00 0.00 O ATOM 28583 C3* C B1330 68.127 -72.827 -31.708 1.00 0.00 C ATOM 28584 O3* C B1330 67.153 -72.012 -31.129 1.00 0.00 O ATOM 28585 C2* C B1330 68.506 -72.377 -33.115 1.00 0.00 C ATOM 28586 O2* C B1330 68.656 -70.968 -33.171 1.00 0.00 O ATOM 28587 C1* C B1330 69.900 -72.978 -33.262 1.00 0.00 C ATOM 28588 N1 C B1330 69.908 -74.317 -33.917 1.00 0.00 N ATOM 28589 C2 C B1330 69.690 -74.369 -35.291 1.00 0.00 C ATOM 28590 O2 C B1330 69.499 -73.316 -35.904 1.00 0.00 O ATOM 28591 N3 C B1330 69.693 -75.581 -35.905 1.00 0.00 N ATOM 28592 C4 C B1330 69.903 -76.701 -35.203 1.00 0.00 C ATOM 28593 N4 C B1330 69.900 -77.858 -35.849 1.00 0.00 N ATOM 28594 C5 C B1330 70.133 -76.670 -33.791 1.00 0.00 C ATOM 28595 C6 C B1330 70.126 -75.450 -33.195 1.00 0.00 C ATOM 28596 P G B1331 65.600 -72.512 -31.142 1.00 0.00 P ATOM 28597 O1P G B1331 64.798 -71.719 -30.185 1.00 0.00 O ATOM 28598 O2P G B1331 65.553 -73.980 -30.963 1.00 0.00 O ATOM 28599 O5* G B1331 65.179 -72.135 -32.640 1.00 0.00 O ATOM 28600 C5* G B1331 65.239 -70.760 -33.059 1.00 0.00 C ATOM 28601 C4* G B1331 64.920 -70.652 -34.534 1.00 0.00 C ATOM 28602 O4* G B1331 65.995 -71.276 -35.296 1.00 0.00 O ATOM 28603 C3* G B1331 63.665 -71.388 -35.002 1.00 0.00 C ATOM 28604 O3* G B1331 62.519 -70.620 -34.805 1.00 0.00 O ATOM 28605 C2* G B1331 63.966 -71.630 -36.478 1.00 0.00 C ATOM 28606 O2* G B1331 63.790 -70.440 -37.229 1.00 0.00 O ATOM 28607 C1* G B1331 65.464 -71.914 -36.445 1.00 0.00 C ATOM 28608 N9 G B1331 65.797 -73.366 -36.361 1.00 0.00 N ATOM 28609 C8 G B1331 66.262 -74.089 -35.285 1.00 0.00 C ATOM 28610 N7 G B1331 66.456 -75.360 -35.544 1.00 0.00 N ATOM 28611 C5 G B1331 66.093 -75.487 -36.884 1.00 0.00 C ATOM 28612 C6 G B1331 66.088 -76.628 -37.728 1.00 0.00 C ATOM 28613 O6 G B1331 66.411 -77.782 -37.459 1.00 0.00 O ATOM 28614 N1 G B1331 65.647 -76.309 -39.017 1.00 0.00 N ATOM 28615 C2 G B1331 65.256 -75.054 -39.440 1.00 0.00 C ATOM 28616 N2 G B1331 64.864 -74.956 -40.712 1.00 0.00 N ATOM 28617 N3 G B1331 65.260 -73.982 -38.647 1.00 0.00 N ATOM 28618 C4 G B1331 65.690 -74.274 -37.390 1.00 0.00 C ATOM 28619 P G B1332 60.632 -70.709 -34.679 1.00 0.00 P ATOM 28620 O1P G B1332 59.748 -69.762 -33.968 1.00 0.00 O ATOM 28621 O2P G B1332 60.805 -72.034 -34.043 1.00 0.00 O ATOM 28622 O5* G B1332 60.124 -70.894 -36.185 1.00 0.00 O ATOM 28623 C5* G B1332 59.977 -69.729 -37.021 1.00 0.00 C ATOM 28624 C4* G B1332 59.609 -70.146 -38.430 1.00 0.00 C ATOM 28625 O4* G B1332 60.743 -70.837 -39.028 1.00 0.00 O ATOM 28626 C3* G B1332 58.462 -71.149 -38.554 1.00 0.00 C ATOM 28627 O3* G B1332 57.223 -70.515 -38.530 1.00 0.00 O ATOM 28628 C2* G B1332 58.759 -71.813 -39.897 1.00 0.00 C ATOM 28629 O2* G B1332 58.395 -70.963 -40.970 1.00 0.00 O ATOM 28630 C1* G B1332 60.282 -71.876 -39.877 1.00 0.00 C ATOM 28631 N9 G B1332 60.821 -73.164 -39.362 1.00 0.00 N ATOM 28632 C8 G B1332 61.416 -73.437 -38.148 1.00 0.00 C ATOM 28633 N7 G B1332 61.785 -74.687 -38.005 1.00 0.00 N ATOM 28634 C5 G B1332 61.413 -75.284 -39.207 1.00 0.00 C ATOM 28635 C6 G B1332 61.555 -76.627 -39.645 1.00 0.00 C ATOM 28636 O6 G B1332 62.047 -77.581 -39.052 1.00 0.00 O ATOM 28637 N1 G B1332 61.040 -76.800 -40.939 1.00 0.00 N ATOM 28638 C2 G B1332 60.461 -75.810 -41.707 1.00 0.00 C ATOM 28639 N2 G B1332 60.029 -76.181 -42.912 1.00 0.00 N ATOM 28640 N3 G B1332 60.330 -74.550 -41.293 1.00 0.00 N ATOM 28641 C4 G B1332 60.824 -74.365 -40.044 1.00 0.00 C ATOM 28642 P G B1333 55.960 -71.285 -37.836 1.00 0.00 P ATOM 28643 O1P G B1333 54.856 -70.330 -37.582 1.00 0.00 O ATOM 28644 O2P G B1333 56.434 -72.048 -36.661 1.00 0.00 O ATOM 28645 O5* G B1333 55.544 -72.292 -39.007 1.00 0.00 O ATOM 28646 C5* G B1333 55.134 -71.756 -40.281 1.00 0.00 C ATOM 28647 C4* G B1333 54.907 -72.882 -41.268 1.00 0.00 C ATOM 28648 O4* G B1333 56.188 -73.503 -41.571 1.00 0.00 O ATOM 28649 C3* G B1333 54.040 -74.039 -40.773 1.00 0.00 C ATOM 28650 O3* G B1333 52.685 -73.767 -40.932 1.00 0.00 O ATOM 28651 C2* G B1333 54.519 -75.193 -41.653 1.00 0.00 C ATOM 28652 O2* G B1333 53.979 -75.086 -42.961 1.00 0.00 O ATOM 28653 C1* G B1333 56.010 -74.900 -41.763 1.00 0.00 C ATOM 28654 N9 G B1333 56.837 -75.612 -40.750 1.00 0.00 N ATOM 28655 C8 G B1333 57.453 -75.114 -39.621 1.00 0.00 C ATOM 28656 N7 G B1333 58.113 -76.016 -38.932 1.00 0.00 N ATOM 28657 C5 G B1333 57.920 -77.192 -39.654 1.00 0.00 C ATOM 28658 C6 G B1333 58.394 -78.505 -39.402 1.00 0.00 C ATOM 28659 O6 G B1333 59.089 -78.908 -38.476 1.00 0.00 O ATOM 28660 N1 G B1333 57.962 -79.400 -40.389 1.00 0.00 N ATOM 28661 C2 G B1333 57.177 -79.073 -41.477 1.00 0.00 C ATOM 28662 N2 G B1333 56.874 -80.074 -42.307 1.00 0.00 N ATOM 28663 N3 G B1333 56.735 -77.840 -41.713 1.00 0.00 N ATOM 28664 C4 G B1333 57.144 -76.955 -40.763 1.00 0.00 C ATOM 28665 P G B1334 51.632 -74.355 -39.831 1.00 0.00 P ATOM 28666 O1P G B1334 50.327 -73.667 -39.955 1.00 0.00 O ATOM 28667 O2P G B1334 52.254 -74.313 -38.489 1.00 0.00 O ATOM 28668 O5* G B1334 51.498 -75.874 -40.323 1.00 0.00 O ATOM 28669 C5* G B1334 50.997 -76.136 -41.647 1.00 0.00 C ATOM 28670 C4* G B1334 51.071 -77.618 -41.942 1.00 0.00 C ATOM 28671 O4* G B1334 52.470 -78.010 -42.035 1.00 0.00 O ATOM 28672 C3* G B1334 50.501 -78.540 -40.864 1.00 0.00 C ATOM 28673 O3* G B1334 49.122 -78.690 -40.996 1.00 0.00 O ATOM 28674 C2* G B1334 51.262 -79.840 -41.121 1.00 0.00 C ATOM 28675 O2* G B1334 50.739 -80.510 -42.255 1.00 0.00 O ATOM 28676 C1* G B1334 52.641 -79.318 -41.512 1.00 0.00 C ATOM 28677 N9 G B1334 53.593 -79.238 -40.371 1.00 0.00 N ATOM 28678 C8 G B1334 54.046 -78.126 -39.691 1.00 0.00 C ATOM 28679 N7 G B1334 54.890 -78.401 -38.723 1.00 0.00 N ATOM 28680 C5 G B1334 55.004 -79.789 -38.766 1.00 0.00 C ATOM 28681 C6 G B1334 55.776 -80.668 -37.962 1.00 0.00 C ATOM 28682 O6 G B1334 56.531 -80.398 -37.032 1.00 0.00 O ATOM 28683 N1 G B1334 55.593 -82.000 -38.346 1.00 0.00 N ATOM 28684 C2 G B1334 54.777 -82.437 -39.373 1.00 0.00 C ATOM 28685 N2 G B1334 54.741 -83.753 -39.581 1.00 0.00 N ATOM 28686 N3 G B1334 54.052 -81.610 -40.124 1.00 0.00 N ATOM 28687 C4 G B1334 54.216 -80.309 -39.767 1.00 0.00 C ATOM 28688 P C B1335 48.222 -78.875 -39.647 1.00 0.00 P ATOM 28689 O1P C B1335 46.790 -78.649 -39.951 1.00 0.00 O ATOM 28690 O2P C B1335 48.785 -78.044 -38.560 1.00 0.00 O ATOM 28691 O5* C B1335 48.466 -80.424 -39.329 1.00 0.00 O ATOM 28692 C5* C B1335 48.073 -81.408 -40.302 1.00 0.00 C ATOM 28693 C4* C B1335 48.512 -82.787 -39.853 1.00 0.00 C ATOM 28694 O4* C B1335 49.966 -82.853 -39.890 1.00 0.00 O ATOM 28695 C3* C B1335 48.162 -83.162 -38.412 1.00 0.00 C ATOM 28696 O3* C B1335 46.862 -83.656 -38.312 1.00 0.00 O ATOM 28697 C2* C B1335 49.218 -84.215 -38.089 1.00 0.00 C ATOM 28698 O2* C B1335 48.898 -85.451 -38.699 1.00 0.00 O ATOM 28699 C1* C B1335 50.437 -83.661 -38.822 1.00 0.00 C ATOM 28700 N1 C B1335 51.318 -82.820 -37.962 1.00 0.00 N ATOM 28701 C2 C B1335 52.118 -83.467 -37.024 1.00 0.00 C ATOM 28702 O2 C B1335 52.062 -84.698 -36.939 1.00 0.00 O ATOM 28703 N3 C B1335 52.930 -82.718 -36.230 1.00 0.00 N ATOM 28704 C4 C B1335 52.958 -81.385 -36.352 1.00 0.00 C ATOM 28705 N4 C B1335 53.767 -80.700 -35.559 1.00 0.00 N ATOM 28706 C5 C B1335 52.146 -80.700 -37.315 1.00 0.00 C ATOM 28707 C6 C B1335 51.344 -81.467 -38.095 1.00 0.00 C ATOM 28708 P A B1336 46.003 -83.346 -36.960 1.00 0.00 P ATOM 28709 O1P A B1336 44.569 -83.622 -37.187 1.00 0.00 O ATOM 28710 O2P A B1336 46.330 -81.987 -36.470 1.00 0.00 O ATOM 28711 O5* A B1336 46.614 -84.441 -35.963 1.00 0.00 O ATOM 28712 C5* A B1336 46.491 -85.835 -36.296 1.00 0.00 C ATOM 28713 C4* A B1336 47.241 -86.680 -35.285 1.00 0.00 C ATOM 28714 O4* A B1336 48.668 -86.429 -35.432 1.00 0.00 O ATOM 28715 C3* A B1336 46.960 -86.363 -33.815 1.00 0.00 C ATOM 28716 O3* A B1336 45.820 -87.018 -33.359 1.00 0.00 O ATOM 28717 C2* A B1336 48.235 -86.856 -33.135 1.00 0.00 C ATOM 28718 O2* A B1336 48.238 -88.270 -33.037 1.00 0.00 O ATOM 28719 C1* A B1336 49.298 -86.481 -34.161 1.00 0.00 C ATOM 28720 N9 A B1336 49.933 -85.157 -33.910 1.00 0.00 N ATOM 28721 C8 A B1336 49.749 -83.967 -34.578 1.00 0.00 C ATOM 28722 N7 A B1336 50.458 -82.985 -34.111 1.00 0.00 N ATOM 28723 C5 A B1336 51.160 -83.552 -33.058 1.00 0.00 C ATOM 28724 C6 A B1336 52.092 -83.026 -32.149 1.00 0.00 C ATOM 28725 N6 A B1336 52.492 -81.746 -32.157 1.00 0.00 N ATOM 28726 N1 A B1336 52.600 -83.864 -31.226 1.00 0.00 N ATOM 28727 C2 A B1336 52.200 -85.134 -31.223 1.00 0.00 C ATOM 28728 N3 A B1336 51.341 -85.736 -32.018 1.00 0.00 N ATOM 28729 C4 A B1336 50.846 -84.873 -32.931 1.00 0.00 C ATOM 28730 P G B1337 44.885 -86.279 -32.241 1.00 0.00 P ATOM 28731 O1P G B1337 43.563 -86.942 -32.161 1.00 0.00 O ATOM 28732 O2P G B1337 44.861 -84.824 -32.504 1.00 0.00 O ATOM 28733 O5* G B1337 45.720 -86.577 -30.909 1.00 0.00 O ATOM 28734 C5* G B1337 45.944 -87.943 -30.516 1.00 0.00 C ATOM 28735 C4* G B1337 46.857 -87.990 -29.305 1.00 0.00 C ATOM 28736 O4* G B1337 48.184 -87.537 -29.699 1.00 0.00 O ATOM 28737 C3* G B1337 46.479 -87.062 -28.150 1.00 0.00 C ATOM 28738 O3* G B1337 45.523 -87.643 -27.320 1.00 0.00 O ATOM 28739 C2* G B1337 47.820 -86.862 -27.448 1.00 0.00 C ATOM 28740 O2* G B1337 48.164 -88.006 -26.686 1.00 0.00 O ATOM 28741 C1* G B1337 48.783 -86.817 -28.634 1.00 0.00 C ATOM 28742 N9 G B1337 49.069 -85.437 -29.115 1.00 0.00 N ATOM 28743 C8 G B1337 48.620 -84.802 -30.254 1.00 0.00 C ATOM 28744 N7 G B1337 49.063 -83.576 -30.389 1.00 0.00 N ATOM 28745 C5 G B1337 49.865 -83.388 -29.264 1.00 0.00 C ATOM 28746 C6 G B1337 50.615 -82.253 -28.856 1.00 0.00 C ATOM 28747 O6 G B1337 50.731 -81.166 -29.414 1.00 0.00 O ATOM 28748 N1 G B1337 51.285 -82.488 -27.648 1.00 0.00 N ATOM 28749 C2 G B1337 51.237 -83.667 -26.926 1.00 0.00 C ATOM 28750 N2 G B1337 51.948 -83.694 -25.797 1.00 0.00 N ATOM 28751 N3 G B1337 50.530 -84.728 -27.311 1.00 0.00 N ATOM 28752 C4 G B1337 49.874 -84.517 -28.481 1.00 0.00 C ATOM 28753 P G B1338 44.412 -86.678 -26.608 1.00 0.00 P ATOM 28754 O1P G B1338 43.289 -87.488 -26.083 1.00 0.00 O ATOM 28755 O2P G B1338 44.041 -85.585 -27.535 1.00 0.00 O ATOM 28756 O5* G B1338 45.269 -86.089 -25.389 1.00 0.00 O ATOM 28757 C5* G B1338 45.808 -86.995 -24.414 1.00 0.00 C ATOM 28758 C4* G B1338 46.681 -86.239 -23.430 1.00 0.00 C ATOM 28759 O4* G B1338 47.867 -85.757 -24.123 1.00 0.00 O ATOM 28760 C3* G B1338 46.065 -84.974 -22.831 1.00 0.00 C ATOM 28761 O3* G B1338 45.260 -85.264 -21.734 1.00 0.00 O ATOM 28762 C2* G B1338 47.304 -84.163 -22.456 1.00 0.00 C ATOM 28763 O2* G B1338 47.897 -84.672 -21.274 1.00 0.00 O ATOM 28764 C1* G B1338 48.249 -84.495 -23.606 1.00 0.00 C ATOM 28765 N9 G B1338 48.204 -83.506 -24.721 1.00 0.00 N ATOM 28766 C8 G B1338 47.636 -83.631 -25.968 1.00 0.00 C ATOM 28767 N7 G B1338 47.772 -82.565 -26.726 1.00 0.00 N ATOM 28768 C5 G B1338 48.480 -81.676 -25.917 1.00 0.00 C ATOM 28769 C6 G B1338 48.925 -80.356 -26.186 1.00 0.00 C ATOM 28770 O6 G B1338 48.785 -79.688 -27.209 1.00 0.00 O ATOM 28771 N1 G B1338 49.607 -79.812 -25.089 1.00 0.00 N ATOM 28772 C2 G B1338 49.831 -80.460 -23.889 1.00 0.00 C ATOM 28773 N2 G B1338 50.502 -79.771 -22.965 1.00 0.00 N ATOM 28774 N3 G B1338 49.410 -81.700 -23.639 1.00 0.00 N ATOM 28775 C4 G B1338 48.748 -82.240 -24.692 1.00 0.00 C ATOM 28776 P G B1339 43.935 -84.347 -21.466 1.00 0.00 P ATOM 28777 O1P G B1339 43.034 -85.022 -20.505 1.00 0.00 O ATOM 28778 O2P G B1339 43.332 -83.965 -22.759 1.00 0.00 O ATOM 28779 O5* G B1339 44.596 -83.063 -20.776 1.00 0.00 O ATOM 28780 C5* G B1339 45.321 -83.226 -19.544 1.00 0.00 C ATOM 28781 C4* G B1339 45.963 -81.913 -19.141 1.00 0.00 C ATOM 28782 O4* G B1339 47.011 -81.587 -20.099 1.00 0.00 O ATOM 28783 C3* G B1339 45.047 -80.688 -19.169 1.00 0.00 C ATOM 28784 O3* G B1339 44.315 -80.573 -17.989 1.00 0.00 O ATOM 28785 C2* G B1339 46.046 -79.549 -19.357 1.00 0.00 C ATOM 28786 O2* G B1339 46.721 -79.264 -18.143 1.00 0.00 O ATOM 28787 C1* G B1339 47.065 -80.183 -20.295 1.00 0.00 C ATOM 28788 N9 G B1339 46.804 -79.910 -21.735 1.00 0.00 N ATOM 28789 C8 G B1339 46.308 -80.754 -22.706 1.00 0.00 C ATOM 28790 N7 G B1339 46.197 -80.199 -23.892 1.00 0.00 N ATOM 28791 C5 G B1339 46.654 -78.896 -23.688 1.00 0.00 C ATOM 28792 C6 G B1339 46.769 -77.818 -24.603 1.00 0.00 C ATOM 28793 O6 G B1339 46.492 -77.789 -25.800 1.00 0.00 O ATOM 28794 N1 G B1339 47.279 -76.670 -23.978 1.00 0.00 N ATOM 28795 C2 G B1339 47.625 -76.577 -22.646 1.00 0.00 C ATOM 28796 N2 G B1339 48.092 -75.394 -22.242 1.00 0.00 N ATOM 28797 N3 G B1339 47.514 -77.589 -21.787 1.00 0.00 N ATOM 28798 C4 G B1339 47.026 -78.709 -22.377 1.00 0.00 C ATOM 28799 P U B1340 44.062 -81.860 -16.694 1.00 0.00 P ATOM 28800 O1P U B1340 44.640 -81.424 -15.407 1.00 0.00 O ATOM 28801 O2P U B1340 44.445 -83.219 -17.146 1.00 0.00 O ATOM 28802 O5* U B1340 42.236 -81.684 -16.705 1.00 0.00 O ATOM 28803 C5* U B1340 40.916 -82.266 -16.518 1.00 0.00 C ATOM 28804 C4* U B1340 40.856 -83.864 -16.864 1.00 0.00 C ATOM 28805 O4* U B1340 42.164 -84.505 -16.879 1.00 0.00 O ATOM 28806 C3* U B1340 39.944 -84.897 -16.204 1.00 0.00 C ATOM 28807 O3* U B1340 38.410 -84.641 -16.191 1.00 0.00 O ATOM 28808 C2* U B1340 40.517 -86.213 -16.731 1.00 0.00 C ATOM 28809 O2* U B1340 40.124 -86.427 -18.077 1.00 0.00 O ATOM 28810 C1* U B1340 42.014 -85.907 -16.752 1.00 0.00 C ATOM 28811 N1 U B1340 42.863 -86.414 -15.362 1.00 0.00 N ATOM 28812 C2 U B1340 44.209 -86.667 -15.508 1.00 0.00 C ATOM 28813 O2 U B1340 44.774 -86.629 -16.593 1.00 0.00 O ATOM 28814 N3 U B1340 44.889 -86.955 -14.348 1.00 0.00 N ATOM 28815 C4 U B1340 44.354 -87.020 -13.074 1.00 0.00 C ATOM 28816 O4 U B1340 45.066 -87.295 -12.106 1.00 0.00 O ATOM 28817 C5 U B1340 42.936 -86.745 -13.022 1.00 0.00 C ATOM 28818 C6 U B1340 42.249 -86.456 -14.139 1.00 0.00 C ATOM 28819 P G B1341 37.243 -85.558 -17.289 1.00 0.00 P ATOM 28820 O1P G B1341 37.541 -87.016 -17.307 1.00 0.00 O ATOM 28821 O2P G B1341 37.113 -84.913 -18.613 1.00 0.00 O ATOM 28822 O5* G B1341 35.761 -85.233 -16.258 1.00 0.00 O ATOM 28823 C5* G B1341 34.606 -85.987 -15.810 1.00 0.00 C ATOM 28824 C4* G B1341 33.282 -85.959 -16.789 1.00 0.00 C ATOM 28825 O4* G B1341 33.625 -85.765 -18.193 1.00 0.00 O ATOM 28826 C3* G B1341 32.409 -87.216 -16.793 1.00 0.00 C ATOM 28827 O3* G B1341 31.813 -87.768 -15.489 1.00 0.00 O ATOM 28828 C2* G B1341 31.631 -87.055 -18.100 1.00 0.00 C ATOM 28829 O2* G B1341 30.598 -86.095 -17.957 1.00 0.00 O ATOM 28830 C1* G B1341 32.692 -86.441 -19.011 1.00 0.00 C ATOM 28831 N9 G B1341 33.544 -87.573 -19.980 1.00 0.00 N ATOM 28832 C8 G B1341 34.874 -87.932 -19.934 1.00 0.00 C ATOM 28833 N7 G B1341 35.189 -88.919 -20.733 1.00 0.00 N ATOM 28834 C5 G B1341 33.983 -89.248 -21.354 1.00 0.00 C ATOM 28835 C6 G B1341 33.692 -90.239 -22.322 1.00 0.00 C ATOM 28836 O6 G B1341 34.450 -91.054 -22.842 1.00 0.00 O ATOM 28837 N1 G B1341 32.337 -90.228 -22.681 1.00 0.00 N ATOM 28838 C2 G B1341 31.388 -89.365 -22.166 1.00 0.00 C ATOM 28839 N2 G B1341 30.149 -89.511 -22.638 1.00 0.00 N ATOM 28840 N3 G B1341 31.662 -88.431 -21.257 1.00 0.00 N ATOM 28841 C4 G B1341 32.972 -88.430 -20.905 1.00 0.00 C ATOM 28842 P A B1342 30.037 -87.569 -15.078 1.00 0.00 P ATOM 28843 O1P A B1342 29.170 -87.478 -16.277 1.00 0.00 O ATOM 28844 O2P A B1342 29.843 -86.509 -14.064 1.00 0.00 O ATOM 28845 O5* A B1342 29.898 -89.209 -14.270 1.00 0.00 O ATOM 28846 C5* A B1342 29.172 -90.075 -13.361 1.00 0.00 C ATOM 28847 C4* A B1342 27.774 -89.475 -12.776 1.00 0.00 C ATOM 28848 O4* A B1342 27.288 -88.209 -13.310 1.00 0.00 O ATOM 28849 C3* A B1342 26.497 -90.282 -12.531 1.00 0.00 C ATOM 28850 O3* A B1342 26.590 -91.595 -11.755 1.00 0.00 O ATOM 28851 C2* A B1342 25.517 -89.198 -12.073 1.00 0.00 C ATOM 28852 O2* A B1342 25.778 -88.819 -10.732 1.00 0.00 O ATOM 28853 C1* A B1342 25.930 -88.025 -12.958 1.00 0.00 C ATOM 28854 N9 A B1342 25.034 -87.864 -14.370 1.00 0.00 N ATOM 28855 C8 A B1342 25.479 -87.529 -15.633 1.00 0.00 C ATOM 28856 N7 A B1342 24.527 -87.311 -16.482 1.00 0.00 N ATOM 28857 C5 A B1342 23.369 -87.512 -15.750 1.00 0.00 C ATOM 28858 C6 A B1342 22.004 -87.435 -16.086 1.00 0.00 C ATOM 28859 N6 A B1342 21.566 -87.117 -17.312 1.00 0.00 N ATOM 28860 N1 A B1342 21.109 -87.695 -15.119 1.00 0.00 N ATOM 28861 C2 A B1342 21.553 -88.013 -13.901 1.00 0.00 C ATOM 28862 N3 A B1342 22.794 -88.118 -13.470 1.00 0.00 N ATOM 28863 C4 A B1342 23.669 -87.850 -14.461 1.00 0.00 C ATOM 28864 P G B1343 25.137 -91.923 -10.701 1.00 0.00 P ATOM 28865 O1P G B1343 24.801 -90.718 -9.915 1.00 0.00 O ATOM 28866 O2P G B1343 25.205 -93.193 -9.939 1.00 0.00 O ATOM 28867 O5* G B1343 24.109 -92.080 -11.918 1.00 0.00 O ATOM 28868 C5* G B1343 23.015 -91.151 -12.029 1.00 0.00 C ATOM 28869 C4* G B1343 22.248 -91.405 -13.315 1.00 0.00 C ATOM 28870 O4* G B1343 23.097 -91.052 -14.445 1.00 0.00 O ATOM 28871 C3* G B1343 21.862 -92.858 -13.582 1.00 0.00 C ATOM 28872 O3* G B1343 20.678 -93.201 -12.931 1.00 0.00 O ATOM 28873 C2* G B1343 21.724 -92.879 -15.103 1.00 0.00 C ATOM 28874 O2* G B1343 20.508 -92.272 -15.505 1.00 0.00 O ATOM 28875 C1* G B1343 22.850 -91.940 -15.526 1.00 0.00 C ATOM 28876 N9 G B1343 24.124 -92.642 -15.846 1.00 0.00 N ATOM 28877 C8 G B1343 25.291 -92.709 -15.111 1.00 0.00 C ATOM 28878 N7 G B1343 26.237 -93.414 -15.681 1.00 0.00 N ATOM 28879 C5 G B1343 25.661 -93.848 -16.874 1.00 0.00 C ATOM 28880 C6 G B1343 26.198 -94.650 -17.912 1.00 0.00 C ATOM 28881 O6 G B1343 27.316 -95.154 -17.994 1.00 0.00 O ATOM 28882 N1 G B1343 25.266 -94.846 -18.941 1.00 0.00 N ATOM 28883 C2 G B1343 23.985 -94.336 -18.967 1.00 0.00 C ATOM 28884 N2 G B1343 23.251 -94.641 -20.037 1.00 0.00 N ATOM 28885 N3 G B1343 23.479 -93.582 -17.990 1.00 0.00 N ATOM 28886 C4 G B1343 24.370 -93.380 -16.983 1.00 0.00 C ATOM 28887 P U B1344 20.502 -94.724 -12.371 1.00 0.00 P ATOM 28888 O1P U B1344 19.376 -94.791 -11.413 1.00 0.00 O ATOM 28889 O2P U B1344 21.806 -95.220 -11.872 1.00 0.00 O ATOM 28890 O5* U B1344 20.111 -95.495 -13.720 1.00 0.00 O ATOM 28891 C5* U B1344 18.917 -95.106 -14.425 1.00 0.00 C ATOM 28892 C4* U B1344 18.810 -95.874 -15.728 1.00 0.00 C ATOM 28893 O4* U B1344 19.876 -95.441 -16.618 1.00 0.00 O ATOM 28894 C3* U B1344 19.008 -97.389 -15.623 1.00 0.00 C ATOM 28895 O3* U B1344 17.827 -98.034 -15.265 1.00 0.00 O ATOM 28896 C2* U B1344 19.470 -97.746 -17.035 1.00 0.00 C ATOM 28897 O2* U B1344 18.377 -97.748 -17.938 1.00 0.00 O ATOM 28898 C1* U B1344 20.337 -96.539 -17.390 1.00 0.00 C ATOM 28899 N1 U B1344 21.783 -96.735 -17.097 1.00 0.00 N ATOM 28900 C2 U B1344 22.489 -97.560 -17.940 1.00 0.00 C ATOM 28901 O2 U B1344 21.977 -98.121 -18.896 1.00 0.00 O ATOM 28902 N3 U B1344 23.826 -97.716 -17.636 1.00 0.00 N ATOM 28903 C4 U B1344 24.500 -97.134 -16.583 1.00 0.00 C ATOM 28904 O4 U B1344 25.703 -97.348 -16.412 1.00 0.00 O ATOM 28905 C5 U B1344 23.679 -96.286 -15.753 1.00 0.00 C ATOM 28906 C6 U B1344 22.374 -96.114 -16.025 1.00 0.00 C ATOM 28907 P C B1345 16.531 -99.143 -15.830 1.00 0.00 P ATOM 28908 O1P C B1345 16.433-100.518 -15.285 1.00 0.00 O ATOM 28909 O2P C B1345 15.790 -98.894 -17.087 1.00 0.00 O ATOM 28910 O5* C B1345 16.074 -98.090 -14.714 1.00 0.00 O ATOM 28911 C5* C B1345 16.736 -98.097 -13.436 1.00 0.00 C ATOM 28912 C4* C B1345 16.238 -96.943 -12.589 1.00 0.00 C ATOM 28913 O4* C B1345 16.686 -95.692 -13.183 1.00 0.00 O ATOM 28914 C3* C B1345 14.720 -96.786 -12.503 1.00 0.00 C ATOM 28915 O3* C B1345 14.174 -97.609 -11.520 1.00 0.00 O ATOM 28916 C2* C B1345 14.569 -95.301 -12.180 1.00 0.00 C ATOM 28917 O2* C B1345 14.870 -95.051 -10.819 1.00 0.00 O ATOM 28918 C1* C B1345 15.697 -94.691 -13.006 1.00 0.00 C ATOM 28919 N1 C B1345 15.267 -94.221 -14.354 1.00 0.00 N ATOM 28920 C2 C B1345 14.518 -93.052 -14.425 1.00 0.00 C ATOM 28921 O2 C B1345 14.242 -92.455 -13.378 1.00 0.00 O ATOM 28922 N3 C B1345 14.116 -92.609 -15.643 1.00 0.00 N ATOM 28923 C4 C B1345 14.435 -93.284 -16.755 1.00 0.00 C ATOM 28924 N4 C B1345 14.021 -92.808 -17.919 1.00 0.00 N ATOM 28925 C5 C B1345 15.207 -94.489 -16.702 1.00 0.00 C ATOM 28926 C6 C B1345 15.598 -94.916 -15.475 1.00 0.00 C ATOM 28927 P G B1346 12.688 -98.243 -11.762 1.00 0.00 P ATOM 28928 O1P G B1346 12.445 -99.352 -10.812 1.00 0.00 O ATOM 28929 O2P G B1346 12.520 -98.572 -13.194 1.00 0.00 O ATOM 28930 O5* G B1346 11.763 -96.992 -11.383 1.00 0.00 O ATOM 28931 C5* G B1346 11.836 -96.446 -10.052 1.00 0.00 C ATOM 28932 C4* G B1346 10.980 -95.202 -9.955 1.00 0.00 C ATOM 28933 O4* G B1346 11.572 -94.152 -10.773 1.00 0.00 O ATOM 28934 C3* G B1346 9.554 -95.332 -10.494 1.00 0.00 C ATOM 28935 O3* G B1346 8.692 -95.875 -9.543 1.00 0.00 O ATOM 28936 C2* G B1346 9.212 -93.885 -10.842 1.00 0.00 C ATOM 28937 O2* G B1346 8.913 -93.143 -9.670 1.00 0.00 O ATOM 28938 C1* G B1346 10.548 -93.369 -11.365 1.00 0.00 C ATOM 28939 N9 G B1346 10.690 -93.465 -12.843 1.00 0.00 N ATOM 28940 C8 G B1346 11.443 -94.346 -13.592 1.00 0.00 C ATOM 28941 N7 G B1346 11.347 -94.162 -14.886 1.00 0.00 N ATOM 28942 C5 G B1346 10.471 -93.083 -15.006 1.00 0.00 C ATOM 28943 C6 G B1346 9.982 -92.428 -16.163 1.00 0.00 C ATOM 28944 O6 G B1346 10.227 -92.663 -17.344 1.00 0.00 O ATOM 28945 N1 G B1346 9.112 -91.380 -15.829 1.00 0.00 N ATOM 28946 C2 G B1346 8.760 -91.017 -14.545 1.00 0.00 C ATOM 28947 N2 G B1346 7.913 -89.991 -14.437 1.00 0.00 N ATOM 28948 N3 G B1346 9.216 -91.634 -13.458 1.00 0.00 N ATOM 28949 C4 G B1346 10.063 -92.651 -13.766 1.00 0.00 C ATOM 28950 P A B1347 7.472 -96.835 -10.047 1.00 0.00 P ATOM 28951 O1P A B1347 6.914 -97.595 -8.908 1.00 0.00 O ATOM 28952 O2P A B1347 7.928 -97.647 -11.200 1.00 0.00 O ATOM 28953 O5* A B1347 6.413 -95.740 -10.541 1.00 0.00 O ATOM 28954 C5* A B1347 5.907 -94.785 -9.590 1.00 0.00 C ATOM 28955 C4* A B1347 5.024 -93.774 -10.294 1.00 0.00 C ATOM 28956 O4* A B1347 5.849 -92.957 -11.176 1.00 0.00 O ATOM 28957 C3* A B1347 3.958 -94.355 -11.225 1.00 0.00 C ATOM 28958 O3* A B1347 2.807 -94.715 -10.521 1.00 0.00 O ATOM 28959 C2* A B1347 3.716 -93.201 -12.195 1.00 0.00 C ATOM 28960 O2* A B1347 2.927 -92.190 -11.593 1.00 0.00 O ATOM 28961 C1* A B1347 5.123 -92.631 -12.349 1.00 0.00 C ATOM 28962 N9 A B1347 5.866 -93.178 -13.519 1.00 0.00 N ATOM 28963 C8 A B1347 6.901 -94.088 -13.540 1.00 0.00 C ATOM 28964 N7 A B1347 7.336 -94.361 -14.729 1.00 0.00 N ATOM 28965 C5 A B1347 6.542 -93.589 -15.564 1.00 0.00 C ATOM 28966 C6 A B1347 6.506 -93.429 -16.959 1.00 0.00 C ATOM 28967 N6 A B1347 7.328 -94.077 -17.799 1.00 0.00 N ATOM 28968 N1 A B1347 5.593 -92.579 -17.464 1.00 0.00 N ATOM 28969 C2 A B1347 4.778 -91.938 -16.624 1.00 0.00 C ATOM 28970 N3 A B1347 4.721 -92.006 -15.312 1.00 0.00 N ATOM 28971 C4 A B1347 5.646 -92.866 -14.835 1.00 0.00 C ATOM 28972 P C B1348 3.465 -95.011 -8.624 1.00 0.00 P ATOM 28973 O1P C B1348 3.621 -96.479 -8.569 1.00 0.00 O ATOM 28974 O2P C B1348 2.435 -94.431 -7.733 1.00 0.00 O ATOM 28975 O5* C B1348 5.193 -94.325 -7.844 1.00 0.00 O ATOM 28976 C5* C B1348 6.828 -94.625 -7.566 1.00 0.00 C ATOM 28977 C4* C B1348 8.435 -93.854 -7.370 1.00 0.00 C ATOM 28978 O4* C B1348 9.690 -93.981 -8.107 1.00 0.00 O ATOM 28979 C3* C B1348 8.587 -92.538 -6.610 1.00 0.00 C ATOM 28980 O3* C B1348 7.455 -92.643 -5.511 1.00 0.00 O ATOM 28981 C2* C B1348 10.071 -92.546 -6.252 1.00 0.00 C ATOM 28982 O2* C B1348 10.324 -93.426 -5.173 1.00 0.00 O ATOM 28983 C1* C B1348 10.688 -93.174 -7.495 1.00 0.00 C ATOM 28984 N1 C B1348 11.267 -92.038 -8.665 1.00 0.00 N ATOM 28985 C2 C B1348 12.522 -92.270 -9.227 1.00 0.00 C ATOM 28986 O2 C B1348 13.119 -93.317 -8.941 1.00 0.00 O ATOM 28987 N3 C B1348 13.037 -91.344 -10.073 1.00 0.00 N ATOM 28988 C4 C B1348 12.358 -90.223 -10.356 1.00 0.00 C ATOM 28989 N4 C B1348 12.907 -89.352 -11.185 1.00 0.00 N ATOM 28990 C5 C B1348 11.068 -89.965 -9.789 1.00 0.00 C ATOM 28991 C6 C B1348 10.569 -90.907 -8.947 1.00 0.00 C ATOM 28992 P C B1349 8.419 -92.458 -3.977 1.00 0.00 P ATOM 28993 O1P C B1349 7.966 -92.088 -2.619 1.00 0.00 O ATOM 28994 O2P C B1349 9.342 -91.505 -4.632 1.00 0.00 O ATOM 28995 O5* C B1349 9.075 -93.917 -3.949 1.00 0.00 O ATOM 28996 C5* C B1349 8.250 -95.062 -4.228 1.00 0.00 C ATOM 28997 C4* C B1349 9.097 -96.317 -4.272 1.00 0.00 C ATOM 28998 O4* C B1349 9.973 -96.256 -5.432 1.00 0.00 O ATOM 28999 C3* C B1349 10.057 -96.513 -3.096 1.00 0.00 C ATOM 29000 O3* C B1349 9.416 -97.105 -2.008 1.00 0.00 O ATOM 29001 C2* C B1349 11.128 -97.409 -3.707 1.00 0.00 C ATOM 29002 O2* C B1349 10.672 -98.746 -3.814 1.00 0.00 O ATOM 29003 C1* C B1349 11.222 -96.853 -5.124 1.00 0.00 C ATOM 29004 N1 C B1349 12.283 -95.823 -5.297 1.00 0.00 N ATOM 29005 C2 C B1349 13.607 -96.251 -5.329 1.00 0.00 C ATOM 29006 O2 C B1349 13.844 -97.460 -5.213 1.00 0.00 O ATOM 29007 N3 C B1349 14.588 -95.330 -5.485 1.00 0.00 N ATOM 29008 C4 C B1349 14.290 -94.029 -5.607 1.00 0.00 C ATOM 29009 N4 C B1349 15.282 -93.168 -5.758 1.00 0.00 N ATOM 29010 C5 C B1349 12.932 -93.567 -5.578 1.00 0.00 C ATOM 29011 C6 C B1349 11.969 -94.505 -5.421 1.00 0.00 C ATOM 29012 P C B1350 9.881 -96.688 -0.501 1.00 0.00 P ATOM 29013 O1P C B1350 8.870 -97.123 0.487 1.00 0.00 O ATOM 29014 O2P C B1350 10.230 -95.249 -0.475 1.00 0.00 O ATOM 29015 O5* C B1350 11.209 -97.566 -0.340 1.00 0.00 O ATOM 29016 C5* C B1350 11.111 -99.001 -0.426 1.00 0.00 C ATOM 29017 C4* C B1350 12.491 -99.619 -0.373 1.00 0.00 C ATOM 29018 O4* C B1350 13.214 -99.265 -1.588 1.00 0.00 O ATOM 29019 C3* C B1350 13.401 -99.124 0.752 1.00 0.00 C ATOM 29020 O3* C B1350 13.160 -99.809 1.940 1.00 0.00 O ATOM 29021 C2* C B1350 14.792 -99.398 0.184 1.00 0.00 C ATOM 29022 O2* C B1350 15.106-100.777 0.265 1.00 0.00 O ATOM 29023 C1* C B1350 14.588 -99.076 -1.294 1.00 0.00 C ATOM 29024 N1 C B1350 14.950 -97.678 -1.656 1.00 0.00 N ATOM 29025 C2 C B1350 16.301 -97.350 -1.718 1.00 0.00 C ATOM 29026 O2 C B1350 17.140 -98.226 -1.477 1.00 0.00 O ATOM 29027 N3 C B1350 16.650 -96.080 -2.050 1.00 0.00 N ATOM 29028 C4 C B1350 15.711 -95.160 -2.305 1.00 0.00 C ATOM 29029 N4 C B1350 16.103 -93.935 -2.622 1.00 0.00 N ATOM 29030 C5 C B1350 14.316 -95.474 -2.243 1.00 0.00 C ATOM 29031 C6 C B1350 13.989 -96.750 -1.916 1.00 0.00 C ATOM 29032 P C B1351 13.325 -99.009 3.355 1.00 0.00 P ATOM 29033 O1P C B1351 12.687 -99.772 4.451 1.00 0.00 O ATOM 29034 O2P C B1351 12.862 -97.613 3.187 1.00 0.00 O ATOM 29035 O5* C B1351 14.915 -99.035 3.534 1.00 0.00 O ATOM 29036 C5* C B1351 15.586-100.305 3.624 1.00 0.00 C ATOM 29037 C4* C B1351 17.087-100.096 3.661 1.00 0.00 C ATOM 29038 O4* C B1351 17.525 -99.586 2.369 1.00 0.00 O ATOM 29039 C3* C B1351 17.590 -99.052 4.659 1.00 0.00 C ATOM 29040 O3* C B1351 17.738 -99.594 5.935 1.00 0.00 O ATOM 29041 C2* C B1351 18.920 -98.633 4.038 1.00 0.00 C ATOM 29042 O2* C B1351 19.915 -99.618 4.264 1.00 0.00 O ATOM 29043 C1* C B1351 18.589 -98.668 2.551 1.00 0.00 C ATOM 29044 N1 C B1351 18.162 -97.350 2.001 1.00 0.00 N ATOM 29045 C2 C B1351 19.141 -96.378 1.810 1.00 0.00 C ATOM 29046 O2 C B1351 20.312 -96.644 2.101 1.00 0.00 O ATOM 29047 N3 C B1351 18.770 -95.171 1.310 1.00 0.00 N ATOM 29048 C4 C B1351 17.491 -94.920 1.007 1.00 0.00 C ATOM 29049 N4 C B1351 17.183 -93.727 0.523 1.00 0.00 N ATOM 29050 C5 C B1351 16.471 -95.909 1.196 1.00 0.00 C ATOM 29051 C6 C B1351 16.859 -97.107 1.697 1.00 0.00 C ATOM 29052 P U B1352 16.441-100.813 6.412 1.00 0.00 P ATOM 29053 O1P U B1352 16.292-101.150 7.845 1.00 0.00 O ATOM 29054 O2P U B1352 16.588-101.962 5.490 1.00 0.00 O ATOM 29055 O5* U B1352 15.139 -99.617 6.008 1.00 0.00 O ATOM 29056 C5* U B1352 14.580 -98.424 6.548 1.00 0.00 C ATOM 29057 C4* U B1352 14.710 -98.283 8.167 1.00 0.00 C ATOM 29058 O4* U B1352 14.969 -96.927 8.625 1.00 0.00 O ATOM 29059 C3* U B1352 13.602 -98.776 9.095 1.00 0.00 C ATOM 29060 O3* U B1352 13.354-100.295 8.953 1.00 0.00 O ATOM 29061 C2* U B1352 13.978 -98.120 10.422 1.00 0.00 C ATOM 29062 O2* U B1352 15.066 -98.798 11.031 1.00 0.00 O ATOM 29063 C1* U B1352 14.504 -96.765 9.951 1.00 0.00 C ATOM 29064 N1 U B1352 13.352 -95.512 9.966 1.00 0.00 N ATOM 29065 C2 U B1352 13.668 -94.383 10.686 1.00 0.00 C ATOM 29066 O2 U B1352 14.696 -94.277 11.334 1.00 0.00 O ATOM 29067 N3 U B1352 12.741 -93.366 10.625 1.00 0.00 N ATOM 29068 C4 U B1352 11.551 -93.380 9.923 1.00 0.00 C ATOM 29069 O4 U B1352 10.799 -92.405 9.947 1.00 0.00 O ATOM 29070 C5 U B1352 11.309 -94.606 9.196 1.00 0.00 C ATOM 29071 C6 U B1352 12.201 -95.614 9.238 1.00 0.00 C ATOM 29072 P A B1353 13.983-101.617 10.087 1.00 0.00 P ATOM 29073 O1P A B1353 14.272-102.859 9.340 1.00 0.00 O ATOM 29074 O2P A B1353 13.039-101.751 11.222 1.00 0.00 O ATOM 29075 O5* A B1353 15.637-100.935 10.499 1.00 0.00 O ATOM 29076 C5* A B1353 17.032-101.187 10.827 1.00 0.00 C ATOM 29077 C4* A B1353 17.477-100.569 12.284 1.00 0.00 C ATOM 29078 O4* A B1353 16.736 -99.336 12.504 1.00 0.00 O ATOM 29079 C3* A B1353 17.300-101.342 13.592 1.00 0.00 C ATOM 29080 O3* A B1353 18.192-102.562 13.888 1.00 0.00 O ATOM 29081 C2* A B1353 17.314-100.225 14.629 1.00 0.00 C ATOM 29082 O2* A B1353 18.641 -99.763 14.850 1.00 0.00 O ATOM 29083 C1* A B1353 16.575 -99.112 13.897 1.00 0.00 C ATOM 29084 N9 A B1353 14.920 -99.023 14.233 1.00 0.00 N ATOM 29085 C8 A B1353 14.087-100.016 14.691 1.00 0.00 C ATOM 29086 N7 A B1353 12.834 -99.678 14.714 1.00 0.00 N ATOM 29087 C5 A B1353 12.827 -98.373 14.249 1.00 0.00 C ATOM 29088 C6 A B1353 11.789 -97.443 14.045 1.00 0.00 C ATOM 29089 N6 A B1353 10.502 -97.713 14.291 1.00 0.00 N ATOM 29090 N1 A B1353 12.129 -96.234 13.573 1.00 0.00 N ATOM 29091 C2 A B1353 13.415 -95.975 13.331 1.00 0.00 C ATOM 29092 N3 A B1353 14.465 -96.756 13.486 1.00 0.00 N ATOM 29093 C4 A B1353 14.095 -97.965 13.957 1.00 0.00 C ATOM 29094 P A B1354 17.855-104.049 12.866 1.00 0.00 P ATOM 29095 O1P A B1354 17.915-103.670 11.442 1.00 0.00 O ATOM 29096 O2P A B1354 16.645-104.794 13.285 1.00 0.00 O ATOM 29097 O5* A B1354 19.401-104.909 13.336 1.00 0.00 O ATOM 29098 C5* A B1354 20.468-105.851 13.054 1.00 0.00 C ATOM 29099 C4* A B1354 20.827-106.070 11.466 1.00 0.00 C ATOM 29100 O4* A B1354 19.700-105.877 10.565 1.00 0.00 O ATOM 29101 C3* A B1354 21.986-105.354 10.768 1.00 0.00 C ATOM 29102 O3* A B1354 22.959-104.276 11.264 1.00 0.00 O ATOM 29103 C2* A B1354 21.695-105.637 9.299 1.00 0.00 C ATOM 29104 O2* A B1354 22.055-106.968 8.960 1.00 0.00 O ATOM 29105 C1* A B1354 20.169-105.567 9.265 1.00 0.00 C ATOM 29106 N9 A B1354 19.546-104.071 8.822 1.00 0.00 N ATOM 29107 C8 A B1354 18.319-103.533 9.131 1.00 0.00 C ATOM 29108 N7 A B1354 18.191-102.282 8.805 1.00 0.00 N ATOM 29109 C5 A B1354 19.420-101.959 8.233 1.00 0.00 C ATOM 29110 C6 A B1354 19.922-100.771 7.682 1.00 0.00 C ATOM 29111 N6 A B1354 19.219 -99.635 7.606 1.00 0.00 N ATOM 29112 N1 A B1354 21.181-100.796 7.203 1.00 0.00 N ATOM 29113 C2 A B1354 21.877-101.933 7.282 1.00 0.00 C ATOM 29114 N3 A B1354 21.512-103.098 7.774 1.00 0.00 N ATOM 29115 C4 A B1354 20.248-103.044 8.245 1.00 0.00 C ATOM 29116 P G B1355 23.904-104.560 12.802 1.00 0.00 P ATOM 29117 O1P G B1355 24.542-105.890 12.932 1.00 0.00 O ATOM 29118 O2P G B1355 23.094-104.118 13.958 1.00 0.00 O ATOM 29119 O5* G B1355 25.015-103.457 12.466 1.00 0.00 O ATOM 29120 C5* G B1355 26.320-103.888 12.039 1.00 0.00 C ATOM 29121 C4* G B1355 27.163-102.688 11.658 1.00 0.00 C ATOM 29122 O4* G B1355 26.606-102.080 10.457 1.00 0.00 O ATOM 29123 C3* G B1355 27.187-101.543 12.671 1.00 0.00 C ATOM 29124 O3* G B1355 28.136-101.763 13.670 1.00 0.00 O ATOM 29125 C2* G B1355 27.528-100.342 11.790 1.00 0.00 C ATOM 29126 O2* G B1355 28.905-100.339 11.454 1.00 0.00 O ATOM 29127 C1* G B1355 26.760-100.671 10.514 1.00 0.00 C ATOM 29128 N9 G B1355 25.402-100.059 10.458 1.00 0.00 N ATOM 29129 C8 G B1355 24.171-100.657 10.614 1.00 0.00 C ATOM 29130 N7 G B1355 23.160 -99.828 10.507 1.00 0.00 N ATOM 29131 C5 G B1355 23.765 -98.597 10.259 1.00 0.00 C ATOM 29132 C6 G B1355 23.185 -97.320 10.050 1.00 0.00 C ATOM 29133 O6 G B1355 21.998 -97.005 10.041 1.00 0.00 O ATOM 29134 N1 G B1355 24.165 -96.341 9.834 1.00 0.00 N ATOM 29135 C2 G B1355 25.527 -96.566 9.820 1.00 0.00 C ATOM 29136 N2 G B1355 26.298 -95.500 9.596 1.00 0.00 N ATOM 29137 N3 G B1355 26.070 -97.766 10.015 1.00 0.00 N ATOM 29138 C4 G B1355 25.134 -98.726 10.227 1.00 0.00 C ATOM 29139 P G B1356 27.822-101.227 15.181 1.00 0.00 P ATOM 29140 O1P G B1356 28.745-101.862 16.150 1.00 0.00 O ATOM 29141 O2P G B1356 26.379-101.380 15.468 1.00 0.00 O ATOM 29142 O5* G B1356 28.182 -99.677 15.030 1.00 0.00 O ATOM 29143 C5* G B1356 29.521 -99.299 14.659 1.00 0.00 C ATOM 29144 C4* G B1356 29.604 -97.803 14.453 1.00 0.00 C ATOM 29145 O4* G B1356 28.825 -97.445 13.275 1.00 0.00 O ATOM 29146 C3* G B1356 29.003 -96.942 15.564 1.00 0.00 C ATOM 29147 O3* G B1356 29.909 -96.743 16.604 1.00 0.00 O ATOM 29148 C2* G B1356 28.664 -95.652 14.822 1.00 0.00 C ATOM 29149 O2* G B1356 29.834 -94.884 14.588 1.00 0.00 O ATOM 29150 C1* G B1356 28.206 -96.187 13.469 1.00 0.00 C ATOM 29151 N9 G B1356 26.732 -96.377 13.369 1.00 0.00 N ATOM 29152 C8 G B1356 26.003 -97.546 13.383 1.00 0.00 C ATOM 29153 N7 G B1356 24.707 -97.370 13.276 1.00 0.00 N ATOM 29154 C5 G B1356 24.571 -95.985 13.185 1.00 0.00 C ATOM 29155 C6 G B1356 23.402 -95.191 13.053 1.00 0.00 C ATOM 29156 O6 G B1356 22.228 -95.550 12.986 1.00 0.00 O ATOM 29157 N1 G B1356 23.714 -93.826 12.997 1.00 0.00 N ATOM 29158 C2 G B1356 24.990 -93.295 13.063 1.00 0.00 C ATOM 29159 N2 G B1356 25.079 -91.967 12.993 1.00 0.00 N ATOM 29160 N3 G B1356 26.086 -94.043 13.188 1.00 0.00 N ATOM 29161 C4 G B1356 25.798 -95.369 13.244 1.00 0.00 C ATOM 29162 P C B1357 29.339 -96.632 18.131 1.00 0.00 P ATOM 29163 O1P C B1357 30.444 -96.793 19.102 1.00 0.00 O ATOM 29164 O2P C B1357 28.196 -97.556 18.298 1.00 0.00 O ATOM 29165 O5* C B1357 28.820 -95.117 18.145 1.00 0.00 O ATOM 29166 C5* C B1357 29.763 -94.055 17.911 1.00 0.00 C ATOM 29167 C4* C B1357 29.038 -92.725 17.848 1.00 0.00 C ATOM 29168 O4* C B1357 28.206 -92.698 16.653 1.00 0.00 O ATOM 29169 C3* C B1357 28.056 -92.446 18.987 1.00 0.00 C ATOM 29170 O3* C B1357 28.705 -91.922 20.104 1.00 0.00 O ATOM 29171 C2* C B1357 27.094 -91.451 18.344 1.00 0.00 C ATOM 29172 O2* C B1357 27.681 -90.162 18.266 1.00 0.00 O ATOM 29173 C1* C B1357 27.006 -91.987 16.915 1.00 0.00 C ATOM 29174 N1 C B1357 25.862 -92.912 16.693 1.00 0.00 N ATOM 29175 C2 C B1357 24.585 -92.361 16.615 1.00 0.00 C ATOM 29176 O2 C B1357 24.460 -91.136 16.733 1.00 0.00 O ATOM 29177 N3 C B1357 23.529 -93.187 16.411 1.00 0.00 N ATOM 29178 C4 C B1357 23.710 -94.509 16.290 1.00 0.00 C ATOM 29179 N4 C B1357 22.647 -95.271 16.094 1.00 0.00 N ATOM 29180 C5 C B1357 25.014 -95.097 16.368 1.00 0.00 C ATOM 29181 C6 C B1357 26.056 -94.254 16.571 1.00 0.00 C ATOM 29182 P G B1358 27.940 -90.558 21.063 1.00 0.00 P ATOM 29183 O1P G B1358 28.166 -89.248 20.408 1.00 0.00 O ATOM 29184 O2P G B1358 28.264 -90.618 22.505 1.00 0.00 O ATOM 29185 O5* G B1358 26.288 -91.274 20.808 1.00 0.00 O ATOM 29186 C5* G B1358 25.248 -91.425 21.773 1.00 0.00 C ATOM 29187 C4* G B1358 25.183 -92.853 22.564 1.00 0.00 C ATOM 29188 O4* G B1358 25.353 -92.764 24.005 1.00 0.00 O ATOM 29189 C3* G B1358 23.920 -93.698 22.393 1.00 0.00 C ATOM 29190 O3* G B1358 23.268 -93.922 21.057 1.00 0.00 O ATOM 29191 C2* G B1358 24.041 -94.689 23.547 1.00 0.00 C ATOM 29192 O2* G B1358 24.993 -95.698 23.241 1.00 0.00 O ATOM 29193 C1* G B1358 24.647 -93.821 24.640 1.00 0.00 C ATOM 29194 N9 G B1358 23.484 -93.120 25.743 1.00 0.00 N ATOM 29195 C8 G B1358 23.223 -93.446 27.056 1.00 0.00 C ATOM 29196 N7 G B1358 22.247 -92.759 27.593 1.00 0.00 N ATOM 29197 C5 G B1358 21.834 -91.914 26.563 1.00 0.00 C ATOM 29198 C6 G B1358 20.811 -90.934 26.541 1.00 0.00 C ATOM 29199 O6 G B1358 20.038 -90.599 27.442 1.00 0.00 O ATOM 29200 N1 G B1358 20.723 -90.300 25.292 1.00 0.00 N ATOM 29201 C2 G B1358 21.529 -90.587 24.206 1.00 0.00 C ATOM 29202 N2 G B1358 21.287 -89.872 23.100 1.00 0.00 N ATOM 29203 N3 G B1358 22.491 -91.506 24.223 1.00 0.00 N ATOM 29204 C4 G B1358 22.583 -92.124 25.432 1.00 0.00 C ATOM 29205 P A B1359 21.923 -92.695 20.891 1.00 0.00 P ATOM 29206 O1P A B1359 21.182 -92.556 22.165 1.00 0.00 O ATOM 29207 O2P A B1359 21.090 -92.937 19.688 1.00 0.00 O ATOM 29208 O5* A B1359 23.066 -91.318 20.569 1.00 0.00 O ATOM 29209 C5* A B1359 23.065 -90.430 19.444 1.00 0.00 C ATOM 29210 C4* A B1359 21.969 -89.260 19.548 1.00 0.00 C ATOM 29211 O4* A B1359 20.677 -89.264 18.869 1.00 0.00 O ATOM 29212 C3* A B1359 21.731 -88.390 20.783 1.00 0.00 C ATOM 29213 O3* A B1359 22.802 -88.130 21.858 1.00 0.00 O ATOM 29214 C2* A B1359 20.769 -87.330 20.249 1.00 0.00 C ATOM 29215 O2* A B1359 21.460 -86.374 19.461 1.00 0.00 O ATOM 29216 C1* A B1359 19.906 -88.154 19.293 1.00 0.00 C ATOM 29217 N9 A B1359 18.436 -88.743 19.976 1.00 0.00 N ATOM 29218 C8 A B1359 17.143 -88.392 19.659 1.00 0.00 C ATOM 29219 N7 A B1359 16.242 -89.108 20.260 1.00 0.00 N ATOM 29220 C5 A B1359 16.977 -89.997 21.032 1.00 0.00 C ATOM 29221 C6 A B1359 16.603 -91.025 21.908 1.00 0.00 C ATOM 29222 N6 A B1359 15.328 -91.350 22.167 1.00 0.00 N ATOM 29223 N1 A B1359 17.590 -91.712 22.514 1.00 0.00 N ATOM 29224 C2 A B1359 18.851 -91.387 22.256 1.00 0.00 C ATOM 29225 N3 A B1359 19.322 -90.451 21.456 1.00 0.00 N ATOM 29226 C4 A B1359 18.314 -89.779 20.861 1.00 0.00 C ATOM 29227 P G B1360 24.594 -87.980 21.476 1.00 0.00 P ATOM 29228 O1P G B1360 24.986 -86.583 21.190 1.00 0.00 O ATOM 29229 O2P G B1360 25.025 -88.988 20.483 1.00 0.00 O ATOM 29230 O5* G B1360 25.122 -88.363 23.196 1.00 0.00 O ATOM 29231 C5* G B1360 25.139 -87.653 24.467 1.00 0.00 C ATOM 29232 C4* G B1360 26.542 -87.383 25.267 1.00 0.00 C ATOM 29233 O4* G B1360 27.178 -88.493 25.964 1.00 0.00 O ATOM 29234 C3* G B1360 27.711 -86.499 24.841 1.00 0.00 C ATOM 29235 O3* G B1360 27.268 -84.982 24.781 1.00 0.00 O ATOM 29236 C2* G B1360 28.670 -86.644 26.023 1.00 0.00 C ATOM 29237 O2* G B1360 28.230 -85.880 27.123 1.00 0.00 O ATOM 29238 C1* G B1360 28.476 -88.110 26.396 1.00 0.00 C ATOM 29239 N9 G B1360 29.626 -89.192 25.692 1.00 0.00 N ATOM 29240 C8 G B1360 30.939 -88.958 25.341 1.00 0.00 C ATOM 29241 N7 G B1360 31.589 -90.034 24.948 1.00 0.00 N ATOM 29242 C5 G B1360 30.634 -91.049 25.046 1.00 0.00 C ATOM 29243 C6 G B1360 30.743 -92.431 24.753 1.00 0.00 C ATOM 29244 O6 G B1360 31.720 -93.056 24.343 1.00 0.00 O ATOM 29245 N1 G B1360 29.536 -93.099 24.990 1.00 0.00 N ATOM 29246 C2 G B1360 28.376 -92.512 25.453 1.00 0.00 C ATOM 29247 N2 G B1360 27.328 -93.322 25.618 1.00 0.00 N ATOM 29248 N3 G B1360 28.274 -91.209 25.724 1.00 0.00 N ATOM 29249 C4 G B1360 29.436 -90.547 25.499 1.00 0.00 C ATOM 29250 P G B1361 28.052 -83.738 23.702 1.00 0.00 P ATOM 29251 O1P G B1361 28.429 -84.405 22.437 1.00 0.00 O ATOM 29252 O2P G B1361 29.058 -82.809 24.263 1.00 0.00 O ATOM 29253 O5* G B1361 26.656 -82.979 23.519 1.00 0.00 O ATOM 29254 C5* G B1361 26.613 -81.772 22.735 1.00 0.00 C ATOM 29255 C4* G B1361 25.181 -81.299 22.591 1.00 0.00 C ATOM 29256 O4* G B1361 24.447 -82.250 21.766 1.00 0.00 O ATOM 29257 C3* G B1361 24.369 -81.232 23.884 1.00 0.00 C ATOM 29258 O3* G B1361 24.587 -80.034 24.562 1.00 0.00 O ATOM 29259 C2* G B1361 22.937 -81.361 23.368 1.00 0.00 C ATOM 29260 O2* G B1361 22.495 -80.145 22.790 1.00 0.00 O ATOM 29261 C1* G B1361 23.112 -82.358 22.225 1.00 0.00 C ATOM 29262 N9 G B1361 22.874 -83.773 22.624 1.00 0.00 N ATOM 29263 C8 G B1361 23.786 -84.787 22.824 1.00 0.00 C ATOM 29264 N7 G B1361 23.245 -85.930 23.172 1.00 0.00 N ATOM 29265 C5 G B1361 21.878 -85.653 23.206 1.00 0.00 C ATOM 29266 C6 G B1361 20.782 -86.499 23.519 1.00 0.00 C ATOM 29267 O6 G B1361 20.792 -87.686 23.836 1.00 0.00 O ATOM 29268 N1 G B1361 19.564 -85.811 23.432 1.00 0.00 N ATOM 29269 C2 G B1361 19.423 -84.481 23.088 1.00 0.00 C ATOM 29270 N2 G B1361 18.174 -84.011 23.062 1.00 0.00 N ATOM 29271 N3 G B1361 20.452 -83.688 22.795 1.00 0.00 N ATOM 29272 C4 G B1361 21.643 -84.341 22.874 1.00 0.00 C ATOM 29273 P C B1362 24.556 -80.038 26.195 1.00 0.00 P ATOM 29274 O1P C B1362 25.161 -78.796 26.723 1.00 0.00 O ATOM 29275 O2P C B1362 25.142 -81.304 26.693 1.00 0.00 O ATOM 29276 O5* C B1362 22.977 -80.032 26.465 1.00 0.00 O ATOM 29277 C5* C B1362 22.192 -78.928 25.977 1.00 0.00 C ATOM 29278 C4* C B1362 20.719 -79.187 26.233 1.00 0.00 C ATOM 29279 O4* C B1362 20.285 -80.296 25.395 1.00 0.00 O ATOM 29280 C3* C B1362 20.358 -79.633 27.651 1.00 0.00 C ATOM 29281 O3* C B1362 20.209 -78.543 28.507 1.00 0.00 O ATOM 29282 C2* C B1362 19.051 -80.388 27.425 1.00 0.00 C ATOM 29283 O2* C B1362 17.978 -79.485 27.219 1.00 0.00 O ATOM 29284 C1* C B1362 19.319 -81.072 26.088 1.00 0.00 C ATOM 29285 N1 C B1362 19.849 -82.458 26.221 1.00 0.00 N ATOM 29286 C2 C B1362 18.962 -83.458 26.607 1.00 0.00 C ATOM 29287 O2 C B1362 17.783 -83.157 26.825 1.00 0.00 O ATOM 29288 N3 C B1362 19.426 -84.728 26.734 1.00 0.00 N ATOM 29289 C4 C B1362 20.713 -85.012 26.489 1.00 0.00 C ATOM 29290 N4 C B1362 21.116 -86.266 26.626 1.00 0.00 N ATOM 29291 C5 C B1362 21.641 -83.998 26.088 1.00 0.00 C ATOM 29292 C6 C B1362 21.157 -82.735 25.970 1.00 0.00 C ATOM 29293 P C B1363 20.642 -78.708 30.071 1.00 0.00 P ATOM 29294 O1P C B1363 20.758 -77.379 30.714 1.00 0.00 O ATOM 29295 O2P C B1363 21.838 -79.575 30.162 1.00 0.00 O ATOM 29296 O5* C B1363 19.368 -79.482 30.658 1.00 0.00 O ATOM 29297 C5* C B1363 18.077 -78.851 30.583 1.00 0.00 C ATOM 29298 C4* C B1363 17.005 -79.803 31.076 1.00 0.00 C ATOM 29299 O4* C B1363 16.887 -80.908 30.130 1.00 0.00 O ATOM 29300 C3* C B1363 17.290 -80.492 32.411 1.00 0.00 C ATOM 29301 O3* C B1363 16.920 -79.689 33.488 1.00 0.00 O ATOM 29302 C2* C B1363 16.443 -81.759 32.305 1.00 0.00 C ATOM 29303 O2* C B1363 15.072 -81.468 32.517 1.00 0.00 O ATOM 29304 C1* C B1363 16.597 -82.108 30.828 1.00 0.00 C ATOM 29305 N1 C B1363 17.696 -83.076 30.554 1.00 0.00 N ATOM 29306 C2 C B1363 17.489 -84.409 30.898 1.00 0.00 C ATOM 29307 O2 C B1363 16.411 -84.731 31.411 1.00 0.00 O ATOM 29308 N3 C B1363 18.476 -85.308 30.656 1.00 0.00 N ATOM 29309 C4 C B1363 19.631 -84.919 30.100 1.00 0.00 C ATOM 29310 N4 C B1363 20.566 -85.832 29.884 1.00 0.00 N ATOM 29311 C5 C B1363 19.865 -83.552 29.738 1.00 0.00 C ATOM 29312 C6 C B1363 18.863 -82.670 29.989 1.00 0.00 C ATOM 29313 P G B1364 18.289 -79.463 34.703 1.00 0.00 P ATOM 29314 O1P G B1364 17.834 -79.768 36.082 1.00 0.00 O ATOM 29315 O2P G B1364 18.935 -78.150 34.512 1.00 0.00 O ATOM 29316 O5* G B1364 19.344 -80.810 34.047 1.00 0.00 O ATOM 29317 C5* G B1364 20.477 -81.706 34.161 1.00 0.00 C ATOM 29318 C4* G B1364 20.127 -83.125 34.904 1.00 0.00 C ATOM 29319 O4* G B1364 18.951 -83.070 35.760 1.00 0.00 O ATOM 29320 C3* G B1364 19.933 -84.407 34.096 1.00 0.00 C ATOM 29321 O3* G B1364 20.917 -84.863 33.006 1.00 0.00 O ATOM 29322 C2* G B1364 19.276 -85.335 35.115 1.00 0.00 C ATOM 29323 O2* G B1364 20.234 -85.823 36.044 1.00 0.00 O ATOM 29324 C1* G B1364 18.377 -84.362 35.878 1.00 0.00 C ATOM 29325 N9 G B1364 16.745 -84.286 35.304 1.00 0.00 N ATOM 29326 C8 G B1364 16.021 -83.193 34.877 1.00 0.00 C ATOM 29327 N7 G B1364 14.830 -83.485 34.420 1.00 0.00 N ATOM 29328 C5 G B1364 14.754 -84.874 34.549 1.00 0.00 C ATOM 29329 C6 G B1364 13.705 -85.765 34.219 1.00 0.00 C ATOM 29330 O6 G B1364 12.602 -85.517 33.738 1.00 0.00 O ATOM 29331 N1 G B1364 14.053 -87.096 34.515 1.00 0.00 N ATOM 29332 C2 G B1364 15.252 -87.503 35.057 1.00 0.00 C ATOM 29333 N2 G B1364 15.388 -88.814 35.265 1.00 0.00 N ATOM 29334 N3 G B1364 16.238 -86.662 35.365 1.00 0.00 N ATOM 29335 C4 G B1364 15.921 -85.371 35.087 1.00 0.00 C ATOM 29336 P A B1365 22.529 -85.649 33.396 1.00 0.00 P ATOM 29337 O1P A B1365 22.599 -86.086 34.805 1.00 0.00 O ATOM 29338 O2P A B1365 23.657 -84.809 32.925 1.00 0.00 O ATOM 29339 O5* A B1365 22.276 -87.074 32.269 1.00 0.00 O ATOM 29340 C5* A B1365 22.740 -88.066 31.309 1.00 0.00 C ATOM 29341 C4* A B1365 23.562 -87.402 30.047 1.00 0.00 C ATOM 29342 O4* A B1365 22.902 -86.220 29.510 1.00 0.00 O ATOM 29343 C3* A B1365 25.006 -86.953 30.263 1.00 0.00 C ATOM 29344 O3* A B1365 26.115 -87.859 30.787 1.00 0.00 O ATOM 29345 C2* A B1365 25.230 -86.012 29.078 1.00 0.00 C ATOM 29346 O2* A B1365 25.428 -86.741 27.885 1.00 0.00 O ATOM 29347 C1* A B1365 23.867 -85.339 28.967 1.00 0.00 C ATOM 29348 N9 A B1365 23.746 -83.866 29.767 1.00 0.00 N ATOM 29349 C8 A B1365 22.679 -83.360 30.472 1.00 0.00 C ATOM 29350 N7 A B1365 22.849 -82.134 30.874 1.00 0.00 N ATOM 29351 C5 A B1365 24.113 -81.801 30.408 1.00 0.00 C ATOM 29352 C6 A B1365 24.878 -80.629 30.508 1.00 0.00 C ATOM 29353 N6 A B1365 24.460 -79.526 31.145 1.00 0.00 N ATOM 29354 N1 A B1365 26.096 -80.632 29.934 1.00 0.00 N ATOM 29355 C2 A B1365 26.503 -81.732 29.307 1.00 0.00 C ATOM 29356 N3 A B1365 25.881 -82.879 29.147 1.00 0.00 N ATOM 29357 C4 A B1365 24.665 -82.851 29.735 1.00 0.00 C ATOM 29358 P A B1366 26.194 -89.611 30.270 1.00 0.00 P ATOM 29359 O1P A B1366 27.596 -90.032 30.066 1.00 0.00 O ATOM 29360 O2P A B1366 25.258 -89.937 29.170 1.00 0.00 O ATOM 29361 O5* A B1366 25.592 -90.170 31.899 1.00 0.00 O ATOM 29362 C5* A B1366 25.560 -91.388 32.668 1.00 0.00 C ATOM 29363 C4* A B1366 25.859 -91.268 34.268 1.00 0.00 C ATOM 29364 O4* A B1366 25.729 -89.938 34.841 1.00 0.00 O ATOM 29365 C3* A B1366 25.204 -92.177 35.307 1.00 0.00 C ATOM 29366 O3* A B1366 25.472 -93.696 35.301 1.00 0.00 O ATOM 29367 C2* A B1366 25.601 -91.509 36.616 1.00 0.00 C ATOM 29368 O2* A B1366 26.954 -91.783 36.934 1.00 0.00 O ATOM 29369 C1* A B1366 25.526 -90.031 36.242 1.00 0.00 C ATOM 29370 N9 A B1366 24.062 -89.286 36.615 1.00 0.00 N ATOM 29371 C8 A B1366 23.321 -88.418 35.842 1.00 0.00 C ATOM 29372 N7 A B1366 22.143 -88.163 36.312 1.00 0.00 N ATOM 29373 C5 A B1366 22.082 -88.911 37.482 1.00 0.00 C ATOM 29374 C6 A B1366 21.075 -89.073 38.451 1.00 0.00 C ATOM 29375 N6 A B1366 19.883 -88.462 38.391 1.00 0.00 N ATOM 29376 N1 A B1366 21.345 -89.882 39.488 1.00 0.00 N ATOM 29377 C2 A B1366 22.532 -90.489 39.542 1.00 0.00 C ATOM 29378 N3 A B1366 23.538 -90.416 38.700 1.00 0.00 N ATOM 29379 C4 A B1366 23.243 -89.596 37.671 1.00 0.00 C ATOM 29380 P A B1367 25.357 -94.673 33.756 1.00 0.00 P ATOM 29381 O1P A B1367 26.628 -95.385 33.493 1.00 0.00 O ATOM 29382 O2P A B1367 24.796 -93.907 32.623 1.00 0.00 O ATOM 29383 O5* A B1367 24.109 -95.796 34.472 1.00 0.00 O ATOM 29384 C5* A B1367 23.011 -96.700 34.248 1.00 0.00 C ATOM 29385 C4* A B1367 21.572 -96.086 34.699 1.00 0.00 C ATOM 29386 O4* A B1367 21.622 -95.015 35.688 1.00 0.00 O ATOM 29387 C3* A B1367 20.499 -95.628 33.710 1.00 0.00 C ATOM 29388 O3* A B1367 19.897 -96.814 32.921 1.00 0.00 O ATOM 29389 C2* A B1367 19.495 -94.935 34.628 1.00 0.00 C ATOM 29390 O2* A B1367 18.718 -95.886 35.338 1.00 0.00 O ATOM 29391 C1* A B1367 20.417 -94.268 35.649 1.00 0.00 C ATOM 29392 N9 A B1367 20.799 -92.661 35.307 1.00 0.00 N ATOM 29393 C8 A B1367 21.911 -92.162 34.661 1.00 0.00 C ATOM 29394 N7 A B1367 21.844 -90.897 34.398 1.00 0.00 N ATOM 29395 C5 A B1367 20.605 -90.514 34.898 1.00 0.00 C ATOM 29396 C6 A B1367 19.934 -89.281 34.928 1.00 0.00 C ATOM 29397 N6 A B1367 20.443 -88.149 34.417 1.00 0.00 N ATOM 29398 N1 A B1367 18.721 -89.252 35.502 1.00 0.00 N ATOM 29399 C2 A B1367 18.220 -90.374 36.006 1.00 0.00 C ATOM 29400 N3 A B1367 18.750 -91.578 36.039 1.00 0.00 N ATOM 29401 C4 A B1367 19.966 -91.584 35.455 1.00 0.00 C ATOM 29402 P G B1368 19.587 -96.665 31.128 1.00 0.00 P ATOM 29403 O1P G B1368 19.165 -97.971 30.573 1.00 0.00 O ATOM 29404 O2P G B1368 20.664 -95.972 30.388 1.00 0.00 O ATOM 29405 O5* G B1368 18.319 -95.703 31.270 1.00 0.00 O ATOM 29406 C5* G B1368 17.184 -96.149 32.035 1.00 0.00 C ATOM 29407 C4* G B1368 16.162 -95.038 32.142 1.00 0.00 C ATOM 29408 O4* G B1368 16.710 -93.967 32.964 1.00 0.00 O ATOM 29409 C3* G B1368 15.793 -94.343 30.829 1.00 0.00 C ATOM 29410 O3* G B1368 14.806 -95.042 30.139 1.00 0.00 O ATOM 29411 C2* G B1368 15.313 -92.974 31.316 1.00 0.00 C ATOM 29412 O2* G B1368 14.012 -93.066 31.867 1.00 0.00 O ATOM 29413 C1* G B1368 16.267 -92.708 32.475 1.00 0.00 C ATOM 29414 N9 G B1368 17.468 -91.917 32.092 1.00 0.00 N ATOM 29415 C8 G B1368 18.770 -92.333 31.927 1.00 0.00 C ATOM 29416 N7 G B1368 19.598 -91.374 31.583 1.00 0.00 N ATOM 29417 C5 G B1368 18.786 -90.243 31.514 1.00 0.00 C ATOM 29418 C6 G B1368 19.111 -88.902 31.190 1.00 0.00 C ATOM 29419 O6 G B1368 20.204 -88.426 30.890 1.00 0.00 O ATOM 29420 N1 G B1368 17.984 -88.074 31.241 1.00 0.00 N ATOM 29421 C2 G B1368 16.705 -88.486 31.564 1.00 0.00 C ATOM 29422 N2 G B1368 15.761 -87.541 31.555 1.00 0.00 N ATOM 29423 N3 G B1368 16.399 -89.747 31.869 1.00 0.00 N ATOM 29424 C4 G B1368 17.485 -90.564 31.823 1.00 0.00 C ATOM 29425 P G B1369 14.835 -95.036 28.507 1.00 0.00 P ATOM 29426 O1P G B1369 13.962 -96.106 27.974 1.00 0.00 O ATOM 29427 O2P G B1369 16.239 -95.058 28.038 1.00 0.00 O ATOM 29428 O5* G B1369 14.185 -93.604 28.203 1.00 0.00 O ATOM 29429 C5* G B1369 12.844 -93.337 28.657 1.00 0.00 C ATOM 29430 C4* G B1369 12.482 -91.891 28.372 1.00 0.00 C ATOM 29431 O4* G B1369 13.295 -91.027 29.215 1.00 0.00 O ATOM 29432 C3* G B1369 12.771 -91.400 26.954 1.00 0.00 C ATOM 29433 O3* G B1369 11.734 -91.724 26.079 1.00 0.00 O ATOM 29434 C2* G B1369 12.917 -89.895 27.161 1.00 0.00 C ATOM 29435 O2* G B1369 11.648 -89.284 27.330 1.00 0.00 O ATOM 29436 C1* G B1369 13.620 -89.838 28.515 1.00 0.00 C ATOM 29437 N9 G B1369 15.104 -89.752 28.414 1.00 0.00 N ATOM 29438 C8 G B1369 16.050 -90.724 28.657 1.00 0.00 C ATOM 29439 N7 G B1369 17.286 -90.324 28.473 1.00 0.00 N ATOM 29440 C5 G B1369 17.146 -88.993 28.082 1.00 0.00 C ATOM 29441 C6 G B1369 18.135 -88.033 27.742 1.00 0.00 C ATOM 29442 O6 G B1369 19.358 -88.162 27.718 1.00 0.00 O ATOM 29443 N1 G B1369 17.559 -86.803 27.402 1.00 0.00 N ATOM 29444 C2 G B1369 16.204 -86.533 27.389 1.00 0.00 C ATOM 29445 N2 G B1369 15.853 -85.296 27.033 1.00 0.00 N ATOM 29446 N3 G B1369 15.277 -87.435 27.706 1.00 0.00 N ATOM 29447 C4 G B1369 15.821 -88.635 28.040 1.00 0.00 C ATOM 29448 P C B1370 12.096 -92.072 24.526 1.00 0.00 P ATOM 29449 O1P C B1370 10.950 -92.734 23.868 1.00 0.00 O ATOM 29450 O2P C B1370 13.382 -92.808 24.473 1.00 0.00 O ATOM 29451 O5* C B1370 12.292 -90.603 23.925 1.00 0.00 O ATOM 29452 C5* C B1370 11.185 -89.682 23.960 1.00 0.00 C ATOM 29453 C4* C B1370 11.624 -88.321 23.459 1.00 0.00 C ATOM 29454 O4* C B1370 12.559 -87.747 24.416 1.00 0.00 O ATOM 29455 C3* C B1370 12.396 -88.316 22.138 1.00 0.00 C ATOM 29456 O3* C B1370 11.537 -88.324 21.043 1.00 0.00 O ATOM 29457 C2* C B1370 13.201 -87.021 22.246 1.00 0.00 C ATOM 29458 O2* C B1370 12.375 -85.895 21.996 1.00 0.00 O ATOM 29459 C1* C B1370 13.550 -86.999 23.729 1.00 0.00 C ATOM 29460 N1 C B1370 14.877 -87.598 24.042 1.00 0.00 N ATOM 29461 C2 C B1370 16.014 -86.865 23.714 1.00 0.00 C ATOM 29462 O2 C B1370 15.878 -85.755 23.181 1.00 0.00 O ATOM 29463 N3 C B1370 17.235 -87.393 23.989 1.00 0.00 N ATOM 29464 C4 C B1370 17.343 -88.597 24.565 1.00 0.00 C ATOM 29465 N4 C B1370 18.554 -89.069 24.815 1.00 0.00 N ATOM 29466 C5 C B1370 16.184 -89.366 24.912 1.00 0.00 C ATOM 29467 C6 C B1370 14.975 -88.821 24.628 1.00 0.00 C ATOM 29468 P G B1371 12.392 -88.987 19.530 1.00 0.00 P ATOM 29469 O1P G B1371 13.614 -88.201 19.263 1.00 0.00 O ATOM 29470 O2P G B1371 11.440 -89.108 18.401 1.00 0.00 O ATOM 29471 O5* G B1371 12.843 -90.647 20.185 1.00 0.00 O ATOM 29472 C5* G B1371 13.235 -91.703 21.095 1.00 0.00 C ATOM 29473 C4* G B1371 13.969 -93.086 20.616 1.00 0.00 C ATOM 29474 O4* G B1371 14.778 -93.244 19.415 1.00 0.00 O ATOM 29475 C3* G B1371 14.453 -94.208 21.536 1.00 0.00 C ATOM 29476 O3* G B1371 14.201 -94.491 22.987 1.00 0.00 O ATOM 29477 C2* G B1371 14.736 -95.333 20.542 1.00 0.00 C ATOM 29478 O2* G B1371 13.533 -95.937 20.108 1.00 0.00 O ATOM 29479 C1* G B1371 15.301 -94.562 19.355 1.00 0.00 C ATOM 29480 N9 G B1371 17.022 -94.461 19.317 1.00 0.00 N ATOM 29481 C8 G B1371 17.825 -93.503 18.734 1.00 0.00 C ATOM 29482 N7 G B1371 19.106 -93.783 18.777 1.00 0.00 N ATOM 29483 C5 G B1371 19.157 -95.015 19.434 1.00 0.00 C ATOM 29484 C6 G B1371 20.271 -95.818 19.778 1.00 0.00 C ATOM 29485 O6 G B1371 21.465 -95.615 19.566 1.00 0.00 O ATOM 29486 N1 G B1371 19.870 -96.990 20.435 1.00 0.00 N ATOM 29487 C2 G B1371 18.566 -97.332 20.733 1.00 0.00 C ATOM 29488 N2 G B1371 18.395 -98.492 21.368 1.00 0.00 N ATOM 29489 N3 G B1371 17.521 -96.574 20.413 1.00 0.00 N ATOM 29490 C4 G B1371 17.891 -95.436 19.770 1.00 0.00 C ATOM 29491 P U B1372 15.595 -95.449 23.692 1.00 0.00 P ATOM 29492 O1P U B1372 15.465 -95.611 25.156 1.00 0.00 O ATOM 29493 O2P U B1372 16.905 -94.951 23.210 1.00 0.00 O ATOM 29494 O5* U B1372 15.073 -96.940 22.781 1.00 0.00 O ATOM 29495 C5* U B1372 15.723 -98.064 22.164 1.00 0.00 C ATOM 29496 C4* U B1372 14.868 -98.962 21.131 1.00 0.00 C ATOM 29497 O4* U B1372 13.543 -99.489 21.424 1.00 0.00 O ATOM 29498 C3* U B1372 14.932 -98.948 19.600 1.00 0.00 C ATOM 29499 O3* U B1372 16.175 -98.524 18.864 1.00 0.00 O ATOM 29500 C2* U B1372 14.144-100.203 19.238 1.00 0.00 C ATOM 29501 O2* U B1372 14.927-101.367 19.450 1.00 0.00 O ATOM 29502 C1* U B1372 13.049-100.200 20.295 1.00 0.00 C ATOM 29503 N1 U B1372 11.585 -99.474 19.801 1.00 0.00 N ATOM 29504 C2 U B1372 11.582 -98.839 18.583 1.00 0.00 C ATOM 29505 O2 U B1372 12.570 -98.757 17.874 1.00 0.00 O ATOM 29506 N3 U B1372 10.374 -98.290 18.204 1.00 0.00 N ATOM 29507 C4 U B1372 9.196 -98.323 18.920 1.00 0.00 C ATOM 29508 O4 U B1372 8.173 -97.792 18.477 1.00 0.00 O ATOM 29509 C5 U B1372 9.300 -99.012 20.187 1.00 0.00 C ATOM 29510 C6 U B1372 10.462 -99.552 20.583 1.00 0.00 C ATOM 29511 P A B1373 15.940 -97.534 17.321 1.00 0.00 P ATOM 29512 O1P A B1373 16.076 -98.454 16.172 1.00 0.00 O ATOM 29513 O2P A B1373 16.816 -96.340 17.305 1.00 0.00 O ATOM 29514 O5* A B1373 14.213 -96.943 17.562 1.00 0.00 O ATOM 29515 C5* A B1373 13.896 -95.553 17.256 1.00 0.00 C ATOM 29516 C4* A B1373 12.421 -95.153 16.720 1.00 0.00 C ATOM 29517 O4* A B1373 11.248 -95.743 17.353 1.00 0.00 O ATOM 29518 C3* A B1373 12.000 -93.709 16.445 1.00 0.00 C ATOM 29519 O3* A B1373 12.941 -92.750 15.730 1.00 0.00 O ATOM 29520 C2* A B1373 10.526 -93.871 16.093 1.00 0.00 C ATOM 29521 O2* A B1373 10.371 -94.371 14.776 1.00 0.00 O ATOM 29522 C1* A B1373 10.096 -94.981 17.048 1.00 0.00 C ATOM 29523 N9 A B1373 9.421 -94.440 18.492 1.00 0.00 N ATOM 29524 C8 A B1373 8.448 -93.486 18.676 1.00 0.00 C ATOM 29525 N7 A B1373 8.258 -93.148 19.914 1.00 0.00 N ATOM 29526 C5 A B1373 9.170 -93.933 20.611 1.00 0.00 C ATOM 29527 C6 A B1373 9.470 -94.048 21.979 1.00 0.00 C ATOM 29528 N6 A B1373 8.852 -93.343 22.933 1.00 0.00 N ATOM 29529 N1 A B1373 10.430 -94.923 22.330 1.00 0.00 N ATOM 29530 C2 A B1373 11.042 -95.626 21.378 1.00 0.00 C ATOM 29531 N3 A B1373 10.847 -95.603 20.076 1.00 0.00 N ATOM 29532 C4 A B1373 9.880 -94.718 19.750 1.00 0.00 C ATOM 29533 P G B1374 12.393 -91.932 14.199 1.00 0.00 P ATOM 29534 O1P G B1374 11.105 -91.209 14.279 1.00 0.00 O ATOM 29535 O2P G B1374 12.560 -92.826 13.033 1.00 0.00 O ATOM 29536 O5* G B1374 13.604 -90.887 14.257 1.00 0.00 O ATOM 29537 C5* G B1374 13.324 -89.508 14.562 1.00 0.00 C ATOM 29538 C4* G B1374 14.620 -88.732 14.687 1.00 0.00 C ATOM 29539 O4* G B1374 15.335 -89.192 15.868 1.00 0.00 O ATOM 29540 C3* G B1374 15.623 -88.925 13.548 1.00 0.00 C ATOM 29541 O3* G B1374 15.345 -88.087 12.472 1.00 0.00 O ATOM 29542 C2* G B1374 16.946 -88.586 14.231 1.00 0.00 C ATOM 29543 O2* G B1374 17.088 -87.184 14.386 1.00 0.00 O ATOM 29544 C1* G B1374 16.732 -89.166 15.625 1.00 0.00 C ATOM 29545 N9 G B1374 17.250 -90.555 15.781 1.00 0.00 N ATOM 29546 C8 G B1374 16.553 -91.741 15.855 1.00 0.00 C ATOM 29547 N7 G B1374 17.315 -92.800 15.995 1.00 0.00 N ATOM 29548 C5 G B1374 18.608 -92.276 16.015 1.00 0.00 C ATOM 29549 C6 G B1374 19.859 -92.935 16.143 1.00 0.00 C ATOM 29550 O6 G B1374 20.087 -94.136 16.267 1.00 0.00 O ATOM 29551 N1 G B1374 20.924 -92.023 16.116 1.00 0.00 N ATOM 29552 C2 G B1374 20.796 -90.654 15.980 1.00 0.00 C ATOM 29553 N2 G B1374 21.934 -89.955 15.977 1.00 0.00 N ATOM 29554 N3 G B1374 19.623 -90.038 15.861 1.00 0.00 N ATOM 29555 C4 G B1374 18.580 -90.907 15.885 1.00 0.00 C ATOM 29556 P U B1375 15.659 -88.621 10.961 1.00 0.00 P ATOM 29557 O1P U B1375 14.972 -87.770 9.963 1.00 0.00 O ATOM 29558 O2P U B1375 15.368 -90.069 10.880 1.00 0.00 O ATOM 29559 O5* U B1375 17.239 -88.380 10.879 1.00 0.00 O ATOM 29560 C5* U B1375 17.749 -87.042 11.027 1.00 0.00 C ATOM 29561 C4* U B1375 19.264 -87.063 11.044 1.00 0.00 C ATOM 29562 O4* U B1375 19.713 -87.724 12.262 1.00 0.00 O ATOM 29563 C3* U B1375 19.930 -87.861 9.924 1.00 0.00 C ATOM 29564 O3* U B1375 20.057 -87.106 8.759 1.00 0.00 O ATOM 29565 C2* U B1375 21.280 -88.221 10.544 1.00 0.00 C ATOM 29566 O2* U B1375 22.150 -87.100 10.535 1.00 0.00 O ATOM 29567 C1* U B1375 20.890 -88.469 11.999 1.00 0.00 C ATOM 29568 N1 U B1375 20.611 -89.899 12.308 1.00 0.00 N ATOM 29569 C2 U B1375 21.692 -90.744 12.394 1.00 0.00 C ATOM 29570 O2 U B1375 22.843 -90.368 12.230 1.00 0.00 O ATOM 29571 N3 U B1375 21.396 -92.060 12.682 1.00 0.00 N ATOM 29572 C4 U B1375 20.137 -92.589 12.886 1.00 0.00 C ATOM 29573 O4 U B1375 19.995 -93.788 13.138 1.00 0.00 O ATOM 29574 C5 U B1375 19.068 -91.626 12.773 1.00 0.00 C ATOM 29575 C6 U B1375 19.330 -90.338 12.496 1.00 0.00 C ATOM 29576 P C B1376 19.933 -87.859 7.318 1.00 0.00 P ATOM 29577 O1P C B1376 19.726 -86.866 6.238 1.00 0.00 O ATOM 29578 O2P C B1376 18.918 -88.933 7.408 1.00 0.00 O ATOM 29579 O5* C B1376 21.391 -88.503 7.187 1.00 0.00 O ATOM 29580 C5* C B1376 22.540 -87.635 7.173 1.00 0.00 C ATOM 29581 C4* C B1376 23.813 -88.456 7.171 1.00 0.00 C ATOM 29582 O4* C B1376 23.934 -89.142 8.451 1.00 0.00 O ATOM 29583 C3* C B1376 23.874 -89.587 6.143 1.00 0.00 C ATOM 29584 O3* C B1376 24.295 -89.122 4.899 1.00 0.00 O ATOM 29585 C2* C B1376 24.873 -90.547 6.782 1.00 0.00 C ATOM 29586 O2* C B1376 26.201 -90.066 6.631 1.00 0.00 O ATOM 29587 C1* C B1376 24.521 -90.419 8.261 1.00 0.00 C ATOM 29588 N1 C B1376 23.554 -91.447 8.737 1.00 0.00 N ATOM 29589 C2 C B1376 24.021 -92.746 8.912 1.00 0.00 C ATOM 29590 O2 C B1376 25.207 -92.991 8.666 1.00 0.00 O ATOM 29591 N3 C B1376 23.154 -93.697 9.344 1.00 0.00 N ATOM 29592 C4 C B1376 21.876 -93.392 9.599 1.00 0.00 C ATOM 29593 N4 C B1376 21.072 -94.356 10.018 1.00 0.00 N ATOM 29594 C5 C B1376 21.376 -92.061 9.426 1.00 0.00 C ATOM 29595 C6 C B1376 22.258 -91.126 8.991 1.00 0.00 C ATOM 29596 P G B1377 22.728 -89.572 3.970 1.00 0.00 P ATOM 29597 O1P G B1377 23.266 -90.235 2.764 1.00 0.00 O ATOM 29598 O2P G B1377 21.825 -88.423 3.730 1.00 0.00 O ATOM 29599 O5* G B1377 21.828 -90.801 5.045 1.00 0.00 O ATOM 29600 C5* G B1377 20.530 -91.112 5.704 1.00 0.00 C ATOM 29601 C4* G B1377 19.767 -92.588 5.667 1.00 0.00 C ATOM 29602 O4* G B1377 20.161 -93.605 6.635 1.00 0.00 O ATOM 29603 C3* G B1377 18.261 -92.787 5.518 1.00 0.00 C ATOM 29604 O3* G B1377 17.178 -91.860 4.897 1.00 0.00 O ATOM 29605 C2* G B1377 18.126 -94.305 5.632 1.00 0.00 C ATOM 29606 O2* G B1377 18.532 -94.934 4.428 1.00 0.00 O ATOM 29607 C1* G B1377 19.183 -94.630 6.678 1.00 0.00 C ATOM 29608 N9 G B1377 18.581 -94.745 8.302 1.00 0.00 N ATOM 29609 C8 G B1377 17.780 -93.859 9.002 1.00 0.00 C ATOM 29610 N7 G B1377 17.414 -94.295 10.180 1.00 0.00 N ATOM 29611 C5 G B1377 18.010 -95.552 10.272 1.00 0.00 C ATOM 29612 C6 G B1377 17.975 -96.508 11.321 1.00 0.00 C ATOM 29613 O6 G B1377 17.399 -96.436 12.404 1.00 0.00 O ATOM 29614 N1 G B1377 18.718 -97.649 11.000 1.00 0.00 N ATOM 29615 C2 G B1377 19.410 -97.844 9.820 1.00 0.00 C ATOM 29616 N2 G B1377 20.058 -99.005 9.703 1.00 0.00 N ATOM 29617 N3 G B1377 19.440 -96.952 8.836 1.00 0.00 N ATOM 29618 C4 G B1377 18.726 -95.833 9.132 1.00 0.00 C ATOM 29619 P A B1378 16.167 -92.557 3.501 1.00 0.00 P ATOM 29620 O1P A B1378 15.875 -93.990 3.707 1.00 0.00 O ATOM 29621 O2P A B1378 16.903 -92.218 2.263 1.00 0.00 O ATOM 29622 O5* A B1378 14.597 -91.584 3.360 1.00 0.00 O ATOM 29623 C5* A B1378 14.567 -90.627 2.236 1.00 0.00 C ATOM 29624 C4* A B1378 15.027 -89.208 2.932 1.00 0.00 C ATOM 29625 O4* A B1378 14.095 -89.028 4.036 1.00 0.00 O ATOM 29626 C3* A B1378 16.400 -89.154 3.592 1.00 0.00 C ATOM 29627 O3* A B1378 17.652 -89.015 2.655 1.00 0.00 O ATOM 29628 C2* A B1378 16.186 -88.110 4.687 1.00 0.00 C ATOM 29629 O2* A B1378 16.171 -86.804 4.146 1.00 0.00 O ATOM 29630 C1* A B1378 14.757 -88.413 5.133 1.00 0.00 C ATOM 29631 N9 A B1378 14.639 -89.434 6.460 1.00 0.00 N ATOM 29632 C8 A B1378 13.508 -89.830 7.143 1.00 0.00 C ATOM 29633 N7 A B1378 13.738 -90.705 8.073 1.00 0.00 N ATOM 29634 C5 A B1378 15.110 -90.908 8.018 1.00 0.00 C ATOM 29635 C6 A B1378 15.978 -91.724 8.758 1.00 0.00 C ATOM 29636 N6 A B1378 15.572 -92.531 9.748 1.00 0.00 N ATOM 29637 N1 A B1378 17.286 -91.682 8.444 1.00 0.00 N ATOM 29638 C2 A B1378 17.685 -90.878 7.459 1.00 0.00 C ATOM 29639 N3 A B1378 16.970 -90.075 6.703 1.00 0.00 N ATOM 29640 C4 A B1378 15.664 -90.135 7.037 1.00 0.00 C ATOM 29641 P U B1379 18.205 -87.374 2.001 1.00 0.00 P ATOM 29642 O1P U B1379 19.052 -86.645 2.971 1.00 0.00 O ATOM 29643 O2P U B1379 17.053 -86.618 1.454 1.00 0.00 O ATOM 29644 O5* U B1379 19.296 -87.977 0.655 1.00 0.00 O ATOM 29645 C5* U B1379 20.670 -87.992 1.044 1.00 0.00 C ATOM 29646 C4* U B1379 21.642 -86.684 0.870 1.00 0.00 C ATOM 29647 O4* U B1379 22.402 -86.457 2.089 1.00 0.00 O ATOM 29648 C3* U B1379 22.680 -86.548 -0.246 1.00 0.00 C ATOM 29649 O3* U B1379 22.482 -86.092 -1.669 1.00 0.00 O ATOM 29650 C2* U B1379 23.582 -85.441 0.292 1.00 0.00 C ATOM 29651 O2* U B1379 22.966 -84.175 0.143 1.00 0.00 O ATOM 29652 C1* U B1379 23.596 -85.759 1.782 1.00 0.00 C ATOM 29653 N1 U B1379 24.910 -86.701 2.289 1.00 0.00 N ATOM 29654 C2 U B1379 26.055 -86.630 1.535 1.00 0.00 C ATOM 29655 O2 U B1379 26.115 -86.021 0.479 1.00 0.00 O ATOM 29656 N3 U B1379 27.146 -87.299 2.048 1.00 0.00 N ATOM 29657 C4 U B1379 27.190 -88.019 3.225 1.00 0.00 C ATOM 29658 O4 U B1379 28.230 -88.573 3.584 1.00 0.00 O ATOM 29659 C5 U B1379 25.943 -88.035 3.950 1.00 0.00 C ATOM 29660 C6 U B1379 24.863 -87.393 3.471 1.00 0.00 C ATOM 29661 P G B1380 24.141 -85.804 -2.419 1.00 0.00 P ATOM 29662 O1P G B1380 25.138 -84.780 -2.036 1.00 0.00 O ATOM 29663 O2P G B1380 23.735 -85.808 -3.842 1.00 0.00 O ATOM 29664 O5* G B1380 24.672 -87.255 -2.001 1.00 0.00 O ATOM 29665 C5* G B1380 26.025 -87.395 -1.526 1.00 0.00 C ATOM 29666 C4* G B1380 26.271 -88.822 -1.074 1.00 0.00 C ATOM 29667 O4* G B1380 25.473 -89.081 0.116 1.00 0.00 O ATOM 29668 C3* G B1380 25.836 -89.916 -2.052 1.00 0.00 C ATOM 29669 O3* G B1380 26.817 -90.158 -3.010 1.00 0.00 O ATOM 29670 C2* G B1380 25.612 -91.105 -1.124 1.00 0.00 C ATOM 29671 O2* G B1380 26.847 -91.672 -0.723 1.00 0.00 O ATOM 29672 C1* G B1380 25.016 -90.426 0.107 1.00 0.00 C ATOM 29673 N9 G B1380 23.529 -90.407 0.119 1.00 0.00 N ATOM 29674 C8 G B1380 22.669 -89.355 -0.113 1.00 0.00 C ATOM 29675 N7 G B1380 21.398 -89.673 -0.026 1.00 0.00 N ATOM 29676 C5 G B1380 21.418 -91.033 0.286 1.00 0.00 C ATOM 29677 C6 G B1380 20.347 -91.934 0.503 1.00 0.00 C ATOM 29678 O6 G B1380 19.139 -91.719 0.469 1.00 0.00 O ATOM 29679 N1 G B1380 20.816 -93.225 0.793 1.00 0.00 N ATOM 29680 C2 G B1380 22.145 -93.593 0.863 1.00 0.00 C ATOM 29681 N2 G B1380 22.385 -94.875 1.151 1.00 0.00 N ATOM 29682 N3 G B1380 23.150 -92.744 0.657 1.00 0.00 N ATOM 29683 C4 G B1380 22.714 -91.488 0.376 1.00 0.00 C ATOM 29684 P G B1381 26.353 -90.582 -4.518 1.00 0.00 P ATOM 29685 O1P G B1381 27.484 -90.439 -5.460 1.00 0.00 O ATOM 29686 O2P G B1381 25.120 -89.848 -4.879 1.00 0.00 O ATOM 29687 O5* G B1381 26.018 -92.133 -4.307 1.00 0.00 O ATOM 29688 C5* G B1381 27.061 -93.019 -3.865 1.00 0.00 C ATOM 29689 C4* G B1381 26.496 -94.402 -3.613 1.00 0.00 C ATOM 29690 O4* G B1381 25.607 -94.344 -2.459 1.00 0.00 O ATOM 29691 C3* G B1381 25.620 -94.978 -4.726 1.00 0.00 C ATOM 29692 O3* G B1381 26.389 -95.587 -5.715 1.00 0.00 O ATOM 29693 C2* G B1381 24.747 -95.971 -3.962 1.00 0.00 C ATOM 29694 O2* G B1381 25.475 -97.148 -3.654 1.00 0.00 O ATOM 29695 C1* G B1381 24.517 -95.234 -2.649 1.00 0.00 C ATOM 29696 N9 G B1381 23.261 -94.435 -2.623 1.00 0.00 N ATOM 29697 C8 G B1381 23.096 -93.067 -2.704 1.00 0.00 C ATOM 29698 N7 G B1381 21.844 -92.678 -2.648 1.00 0.00 N ATOM 29699 C5 G B1381 21.129 -93.869 -2.525 1.00 0.00 C ATOM 29700 C6 G B1381 19.732 -94.092 -2.424 1.00 0.00 C ATOM 29701 O6 G B1381 18.820 -93.268 -2.419 1.00 0.00 O ATOM 29702 N1 G B1381 19.439 -95.456 -2.315 1.00 0.00 N ATOM 29703 C2 G B1381 20.372 -96.476 -2.307 1.00 0.00 C ATOM 29704 N2 G B1381 19.888 -97.713 -2.196 1.00 0.00 N ATOM 29705 N3 G B1381 21.682 -96.266 -2.403 1.00 0.00 N ATOM 29706 C4 G B1381 21.987 -94.946 -2.509 1.00 0.00 C ATOM 29707 P G B1382 25.871 -95.518 -7.264 1.00 0.00 P ATOM 29708 O1P G B1382 26.970 -95.880 -8.188 1.00 0.00 O ATOM 29709 O2P G B1382 25.230 -94.207 -7.509 1.00 0.00 O ATOM 29710 O5* G B1382 24.761 -96.670 -7.260 1.00 0.00 O ATOM 29711 C5* G B1382 25.158 -98.022 -6.951 1.00 0.00 C ATOM 29712 C4* G B1382 23.939 -98.914 -6.883 1.00 0.00 C ATOM 29713 O4* G B1382 23.139 -98.534 -5.727 1.00 0.00 O ATOM 29714 C3* G B1382 22.966 -98.805 -8.056 1.00 0.00 C ATOM 29715 O3* G B1382 23.363 -99.606 -9.127 1.00 0.00 O ATOM 29716 C2* G B1382 21.654 -99.273 -7.430 1.00 0.00 C ATOM 29717 O2* G B1382 21.639-100.683 -7.286 1.00 0.00 O ATOM 29718 C1* G B1382 21.760 -98.687 -6.025 1.00 0.00 C ATOM 29719 N9 G B1382 21.106 -97.356 -5.881 1.00 0.00 N ATOM 29720 C8 G B1382 21.686 -96.109 -5.775 1.00 0.00 C ATOM 29721 N7 G B1382 20.822 -95.128 -5.659 1.00 0.00 N ATOM 29722 C5 G B1382 19.584 -95.770 -5.694 1.00 0.00 C ATOM 29723 C6 G B1382 18.275 -95.234 -5.611 1.00 0.00 C ATOM 29724 O6 G B1382 17.929 -94.062 -5.488 1.00 0.00 O ATOM 29725 N1 G B1382 17.301 -96.241 -5.685 1.00 0.00 N ATOM 29726 C2 G B1382 17.563 -97.593 -5.823 1.00 0.00 C ATOM 29727 N2 G B1382 16.497 -98.393 -5.875 1.00 0.00 N ATOM 29728 N3 G B1382 18.793 -98.095 -5.899 1.00 0.00 N ATOM 29729 C4 G B1382 19.749 -97.129 -5.828 1.00 0.00 C ATOM 29730 P A B1383 25.048-100.472 -9.183 1.00 0.00 P ATOM 29731 O1P A B1383 24.801-101.932 -9.232 1.00 0.00 O ATOM 29732 O2P A B1383 25.946-100.009 -8.102 1.00 0.00 O ATOM 29733 O5* A B1383 25.877 -99.878 -10.744 1.00 0.00 O ATOM 29734 C5* A B1383 27.306 -99.649 -11.091 1.00 0.00 C ATOM 29735 C4* A B1383 28.296-100.935 -11.348 1.00 0.00 C ATOM 29736 O4* A B1383 28.071-101.885 -12.433 1.00 0.00 O ATOM 29737 C3* A B1383 29.642-101.359 -10.759 1.00 0.00 C ATOM 29738 O3* A B1383 30.468-100.757 -9.615 1.00 0.00 O ATOM 29739 C2* A B1383 29.582-102.880 -10.894 1.00 0.00 C ATOM 29740 O2* A B1383 28.748-103.438 -9.899 1.00 0.00 O ATOM 29741 C1* A B1383 28.859-103.046 -12.227 1.00 0.00 C ATOM 29742 N9 A B1383 29.879-103.241 -13.564 1.00 0.00 N ATOM 29743 C8 A B1383 30.109-102.367 -14.598 1.00 0.00 C ATOM 29744 N7 A B1383 30.846-102.856 -15.549 1.00 0.00 N ATOM 29745 C5 A B1383 31.127-104.146 -15.121 1.00 0.00 C ATOM 29746 C6 A B1383 31.876-105.188 -15.693 1.00 0.00 C ATOM 29747 N6 A B1383 32.505-105.095 -16.869 1.00 0.00 N ATOM 29748 N1 A B1383 31.954-106.343 -14.998 1.00 0.00 N ATOM 29749 C2 A B1383 31.331-106.434 -13.829 1.00 0.00 C ATOM 29750 N3 A B1383 30.606-105.529 -13.201 1.00 0.00 N ATOM 29751 C4 A B1383 30.543-104.386 -13.912 1.00 0.00 C ATOM 29752 P A B1384 32.270-101.184 -9.694 1.00 0.00 P ATOM 29753 O1P A B1384 33.090 -99.969 -9.888 1.00 0.00 O ATOM 29754 O2P A B1384 32.522-102.292 -10.648 1.00 0.00 O ATOM 29755 O5* A B1384 32.418-101.812 -7.973 1.00 0.00 O ATOM 29756 C5* A B1384 33.425-102.496 -7.168 1.00 0.00 C ATOM 29757 C4* A B1384 33.375-104.121 -7.268 1.00 0.00 C ATOM 29758 O4* A B1384 32.469-104.674 -8.270 1.00 0.00 O ATOM 29759 C3* A B1384 34.540-105.109 -7.239 1.00 0.00 C ATOM 29760 O3* A B1384 35.491-105.265 -6.085 1.00 0.00 O ATOM 29761 C2* A B1384 33.830-106.445 -7.459 1.00 0.00 C ATOM 29762 O2* A B1384 33.179-106.870 -6.273 1.00 0.00 O ATOM 29763 C1* A B1384 32.741-106.054 -8.447 1.00 0.00 C ATOM 29764 N9 A B1384 33.130-106.310 -10.045 1.00 0.00 N ATOM 29765 C8 A B1384 33.267-105.383 -11.052 1.00 0.00 C ATOM 29766 N7 A B1384 33.468-105.907 -12.223 1.00 0.00 N ATOM 29767 C5 A B1384 33.465-107.274 -11.983 1.00 0.00 C ATOM 29768 C6 A B1384 33.631-108.383 -12.830 1.00 0.00 C ATOM 29769 N6 A B1384 33.835-108.277 -14.151 1.00 0.00 N ATOM 29770 N1 A B1384 33.571-109.605 -12.267 1.00 0.00 N ATOM 29771 C2 A B1384 33.368-109.698 -10.954 1.00 0.00 C ATOM 29772 N3 A B1384 33.199-108.738 -10.068 1.00 0.00 N ATOM 29773 C4 A B1384 33.263-107.526 -10.659 1.00 0.00 C ATOM 29774 P A B1385 37.318-104.892 -6.239 1.00 0.00 P ATOM 29775 O1P A B1385 37.965-105.686 -5.173 1.00 0.00 O ATOM 29776 O2P A B1385 37.419-103.423 -6.099 1.00 0.00 O ATOM 29777 O5* A B1385 37.886-105.340 -7.666 1.00 0.00 O ATOM 29778 C5* A B1385 38.187-106.730 -7.895 1.00 0.00 C ATOM 29779 C4* A B1385 38.587-106.943 -9.341 1.00 0.00 C ATOM 29780 O4* A B1385 37.424-106.714 -10.189 1.00 0.00 O ATOM 29781 C3* A B1385 39.639-105.979 -9.891 1.00 0.00 C ATOM 29782 O3* A B1385 40.930-106.402 -9.579 1.00 0.00 O ATOM 29783 C2* A B1385 39.352-106.015 -11.390 1.00 0.00 C ATOM 29784 O2* A B1385 39.852-107.208 -11.969 1.00 0.00 O ATOM 29785 C1* A B1385 37.830-106.116 -11.410 1.00 0.00 C ATOM 29786 N9 A B1385 37.144-104.798 -11.525 1.00 0.00 N ATOM 29787 C8 A B1385 36.467-104.087 -10.561 1.00 0.00 C ATOM 29788 N7 A B1385 35.977-102.961 -10.985 1.00 0.00 N ATOM 29789 C5 A B1385 36.349-102.914 -12.320 1.00 0.00 C ATOM 29790 C6 A B1385 36.134-101.966 -13.332 1.00 0.00 C ATOM 29791 N6 A B1385 35.452-100.825 -13.142 1.00 0.00 N ATOM 29792 N1 A B1385 36.640-102.231 -14.550 1.00 0.00 N ATOM 29793 C2 A B1385 37.314-103.364 -14.731 1.00 0.00 C ATOM 29794 N3 A B1385 37.582-104.320 -13.866 1.00 0.00 N ATOM 29795 C4 A B1385 37.061-104.030 -12.657 1.00 0.00 C ATOM 29796 P C B1386 42.077-105.270 -9.296 1.00 0.00 P ATOM 29797 O1P C B1386 43.249-105.890 -8.637 1.00 0.00 O ATOM 29798 O2P C B1386 41.470-104.122 -8.588 1.00 0.00 O ATOM 29799 O5* C B1386 42.457-104.847 -10.791 1.00 0.00 O ATOM 29800 C5* C B1386 42.982-105.844 -11.687 1.00 0.00 C ATOM 29801 C4* C B1386 43.152-105.256 -13.072 1.00 0.00 C ATOM 29802 O4* C B1386 41.837-104.972 -13.630 1.00 0.00 O ATOM 29803 C3* C B1386 43.877-103.911 -13.142 1.00 0.00 C ATOM 29804 O3* C B1386 45.260-104.076 -13.155 1.00 0.00 O ATOM 29805 C2* C B1386 43.341-103.326 -14.445 1.00 0.00 C ATOM 29806 O2* C B1386 43.957-103.940 -15.565 1.00 0.00 O ATOM 29807 C1* C B1386 41.891-103.796 -14.423 1.00 0.00 C ATOM 29808 N1 C B1386 40.949-102.802 -13.835 1.00 0.00 N ATOM 29809 C2 C B1386 40.622-101.684 -14.599 1.00 0.00 C ATOM 29810 O2 C B1386 41.126-101.567 -15.726 1.00 0.00 O ATOM 29811 N3 C B1386 39.767-100.767 -14.086 1.00 0.00 N ATOM 29812 C4 C B1386 39.242-100.934 -12.864 1.00 0.00 C ATOM 29813 N4 C B1386 38.412-100.011 -12.406 1.00 0.00 N ATOM 29814 C5 C B1386 39.564-102.074 -12.059 1.00 0.00 C ATOM 29815 C6 C B1386 40.424-102.980 -12.592 1.00 0.00 C ATOM 29816 P A B1387 46.194-102.954 -12.424 1.00 0.00 P ATOM 29817 O1P A B1387 47.564-103.477 -12.222 1.00 0.00 O ATOM 29818 O2P A B1387 45.508-102.462 -11.207 1.00 0.00 O ATOM 29819 O5* A B1387 46.211-101.807 -13.538 1.00 0.00 O ATOM 29820 C5* A B1387 46.753-102.104 -14.839 1.00 0.00 C ATOM 29821 C4* A B1387 46.557-100.920 -15.766 1.00 0.00 C ATOM 29822 O4* A B1387 45.135-100.763 -16.030 1.00 0.00 O ATOM 29823 C3* A B1387 46.978 -99.560 -15.210 1.00 0.00 C ATOM 29824 O3* A B1387 48.342 -99.336 -15.386 1.00 0.00 O ATOM 29825 C2* A B1387 46.114 -98.600 -16.025 1.00 0.00 C ATOM 29826 O2* A B1387 46.629 -98.448 -17.335 1.00 0.00 O ATOM 29827 C1* A B1387 44.811 -99.386 -16.147 1.00 0.00 C ATOM 29828 N9 A B1387 43.812 -99.057 -15.095 1.00 0.00 N ATOM 29829 C8 A B1387 43.432 -99.797 -13.995 1.00 0.00 C ATOM 29830 N7 A B1387 42.527 -99.225 -13.264 1.00 0.00 N ATOM 29831 C5 A B1387 42.279 -98.023 -13.911 1.00 0.00 C ATOM 29832 C6 A B1387 41.414 -96.955 -13.631 1.00 0.00 C ATOM 29833 N6 A B1387 40.592 -96.930 -12.569 1.00 0.00 N ATOM 29834 N1 A B1387 41.418 -95.912 -14.481 1.00 0.00 N ATOM 29835 C2 A B1387 42.237 -95.944 -15.531 1.00 0.00 C ATOM 29836 N3 A B1387 43.085 -96.880 -15.894 1.00 0.00 N ATOM 29837 C4 A B1387 43.062 -97.914 -15.026 1.00 0.00 C ATOM 29838 P G B1388 49.148 -98.478 -14.254 1.00 0.00 P ATOM 29839 O1P G B1388 50.609 -98.660 -14.420 1.00 0.00 O ATOM 29840 O2P G B1388 48.606 -98.798 -12.918 1.00 0.00 O ATOM 29841 O5* G B1388 48.740 -96.985 -14.662 1.00 0.00 O ATOM 29842 C5* G B1388 49.093 -96.497 -15.971 1.00 0.00 C ATOM 29843 C4* G B1388 48.501 -95.117 -16.185 1.00 0.00 C ATOM 29844 O4* G B1388 47.053 -95.231 -16.253 1.00 0.00 O ATOM 29845 C3* G B1388 48.740 -94.110 -15.059 1.00 0.00 C ATOM 29846 O3* G B1388 49.978 -93.486 -15.187 1.00 0.00 O ATOM 29847 C2* G B1388 47.572 -93.145 -15.246 1.00 0.00 C ATOM 29848 O2* G B1388 47.805 -92.276 -16.342 1.00 0.00 O ATOM 29849 C1* G B1388 46.451 -94.090 -15.660 1.00 0.00 C ATOM 29850 N9 G B1388 45.610 -94.557 -14.524 1.00 0.00 N ATOM 29851 C8 G B1388 45.583 -95.788 -13.906 1.00 0.00 C ATOM 29852 N7 G B1388 44.716 -95.873 -12.924 1.00 0.00 N ATOM 29853 C5 G B1388 44.128 -94.610 -12.891 1.00 0.00 C ATOM 29854 C6 G B1388 43.118 -94.096 -12.039 1.00 0.00 C ATOM 29855 O6 G B1388 42.520 -94.657 -11.122 1.00 0.00 O ATOM 29856 N1 G B1388 42.816 -92.762 -12.347 1.00 0.00 N ATOM 29857 C2 G B1388 43.414 -92.021 -13.349 1.00 0.00 C ATOM 29858 N2 G B1388 42.986 -90.765 -13.487 1.00 0.00 N ATOM 29859 N3 G B1388 44.363 -92.505 -14.148 1.00 0.00 N ATOM 29860 C4 G B1388 44.666 -93.798 -13.862 1.00 0.00 C ATOM 29861 P G B1389 50.787 -93.071 -13.831 1.00 0.00 P ATOM 29862 O1P G B1389 52.202 -92.771 -14.150 1.00 0.00 O ATOM 29863 O2P G B1389 50.568 -94.098 -12.790 1.00 0.00 O ATOM 29864 O5* G B1389 50.027 -91.719 -13.429 1.00 0.00 O ATOM 29865 C5* G B1389 50.039 -90.613 -14.348 1.00 0.00 C ATOM 29866 C4* G B1389 49.160 -89.495 -13.824 1.00 0.00 C ATOM 29867 O4* G B1389 47.770 -89.936 -13.853 1.00 0.00 O ATOM 29868 C3* G B1389 49.388 -89.096 -12.364 1.00 0.00 C ATOM 29869 O3* G B1389 50.438 -88.187 -12.241 1.00 0.00 O ATOM 29870 C2* G B1389 48.037 -88.493 -11.981 1.00 0.00 C ATOM 29871 O2* G B1389 47.897 -87.192 -12.525 1.00 0.00 O ATOM 29872 C1* G B1389 47.072 -89.398 -12.742 1.00 0.00 C ATOM 29873 N9 G B1389 46.554 -90.534 -11.930 1.00 0.00 N ATOM 29874 C8 G B1389 46.880 -91.870 -11.994 1.00 0.00 C ATOM 29875 N7 G B1389 46.237 -92.620 -11.128 1.00 0.00 N ATOM 29876 C5 G B1389 45.425 -91.714 -10.447 1.00 0.00 C ATOM 29877 C6 G B1389 44.502 -91.931 -9.391 1.00 0.00 C ATOM 29878 O6 G B1389 44.202 -92.987 -8.834 1.00 0.00 O ATOM 29879 N1 G B1389 43.892 -90.736 -8.990 1.00 0.00 N ATOM 29880 C2 G B1389 44.144 -89.492 -9.535 1.00 0.00 C ATOM 29881 N2 G B1389 43.460 -88.474 -9.012 1.00 0.00 N ATOM 29882 N3 G B1389 45.013 -89.288 -10.524 1.00 0.00 N ATOM 29883 C4 G B1389 45.612 -90.439 -10.925 1.00 0.00 C ATOM 29884 P U B1390 52.086 -88.874 -11.777 1.00 0.00 P ATOM 29885 O1P U B1390 53.155 -88.284 -12.614 1.00 0.00 O ATOM 29886 O2P U B1390 52.033 -90.350 -11.745 1.00 0.00 O ATOM 29887 O5* U B1390 52.144 -88.217 -10.063 1.00 0.00 O ATOM 29888 C5* U B1390 52.903 -88.225 -8.817 1.00 0.00 C ATOM 29889 C4* U B1390 53.329 -89.709 -8.260 1.00 0.00 C ATOM 29890 O4* U B1390 52.710 -90.819 -8.970 1.00 0.00 O ATOM 29891 C3* U B1390 54.769 -90.169 -8.030 1.00 0.00 C ATOM 29892 O3* U B1390 55.848 -89.403 -7.273 1.00 0.00 O ATOM 29893 C2* U B1390 54.592 -91.664 -7.783 1.00 0.00 C ATOM 29894 O2* U B1390 54.097 -91.900 -6.477 1.00 0.00 O ATOM 29895 C1* U B1390 53.465 -92.004 -8.750 1.00 0.00 C ATOM 29896 N1 U B1390 53.980 -92.598 -10.260 1.00 0.00 N ATOM 29897 C2 U B1390 53.987 -93.963 -10.425 1.00 0.00 C ATOM 29898 O2 U B1390 53.700 -94.740 -9.531 1.00 0.00 O ATOM 29899 N3 U B1390 54.341 -94.404 -11.682 1.00 0.00 N ATOM 29900 C4 U B1390 54.684 -93.616 -12.762 1.00 0.00 C ATOM 29901 O4 U B1390 54.985 -94.130 -13.841 1.00 0.00 O ATOM 29902 C5 U B1390 54.648 -92.199 -12.491 1.00 0.00 C ATOM 29903 C6 U B1390 54.303 -91.742 -11.277 1.00 0.00 C ATOM 29904 P U B1391 57.509 -89.624 -8.034 1.00 0.00 P ATOM 29905 O1P U B1391 58.188 -88.328 -8.235 1.00 0.00 O ATOM 29906 O2P U B1391 57.439 -90.506 -9.220 1.00 0.00 O ATOM 29907 O5* U B1391 58.194 -90.536 -6.609 1.00 0.00 O ATOM 29908 C5* U B1391 59.363 -91.170 -6.041 1.00 0.00 C ATOM 29909 C4* U B1391 59.540 -90.870 -4.437 1.00 0.00 C ATOM 29910 O4* U B1391 59.534 -89.446 -4.135 1.00 0.00 O ATOM 29911 C3* U B1391 58.555 -91.462 -3.425 1.00 0.00 C ATOM 29912 O3* U B1391 58.528 -92.983 -3.151 1.00 0.00 O ATOM 29913 C2* U B1391 58.809 -90.600 -2.190 1.00 0.00 C ATOM 29914 O2* U B1391 60.015 -90.981 -1.548 1.00 0.00 O ATOM 29915 C1* U B1391 59.058 -89.232 -2.817 1.00 0.00 C ATOM 29916 N1 U B1391 57.691 -88.234 -2.899 1.00 0.00 N ATOM 29917 C2 U B1391 56.789 -88.318 -1.861 1.00 0.00 C ATOM 29918 O2 U B1391 56.947 -89.058 -0.907 1.00 0.00 O ATOM 29919 N3 U B1391 55.683 -87.500 -1.973 1.00 0.00 N ATOM 29920 C4 U B1391 55.409 -86.627 -3.006 1.00 0.00 C ATOM 29921 O4 U B1391 54.381 -85.943 -2.993 1.00 0.00 O ATOM 29922 C5 U B1391 56.409 -86.610 -4.044 1.00 0.00 C ATOM 29923 C6 U B1391 57.496 -87.395 -3.965 1.00 0.00 C ATOM 29924 P A B1392 59.378 -94.177 -4.248 1.00 0.00 P ATOM 29925 O1P A B1392 60.852 -94.063 -4.194 1.00 0.00 O ATOM 29926 O2P A B1392 58.786 -94.198 -5.604 1.00 0.00 O ATOM 29927 O5* A B1392 58.786 -95.585 -3.251 1.00 0.00 O ATOM 29928 C5* A B1392 57.709 -96.526 -3.378 1.00 0.00 C ATOM 29929 C4* A B1392 56.361 -95.805 -3.912 1.00 0.00 C ATOM 29930 O4* A B1392 55.510 -96.466 -4.895 1.00 0.00 O ATOM 29931 C3* A B1392 55.373 -95.105 -2.981 1.00 0.00 C ATOM 29932 O3* A B1392 55.823 -94.304 -1.784 1.00 0.00 O ATOM 29933 C2* A B1392 54.277 -94.664 -3.948 1.00 0.00 C ATOM 29934 O2* A B1392 54.692 -93.530 -4.696 1.00 0.00 O ATOM 29935 C1* A B1392 54.235 -95.844 -4.919 1.00 0.00 C ATOM 29936 N9 A B1392 53.075 -97.004 -4.560 1.00 0.00 N ATOM 29937 C8 A B1392 53.209 -98.136 -3.790 1.00 0.00 C ATOM 29938 N7 A B1392 52.091 -98.753 -3.562 1.00 0.00 N ATOM 29939 C5 A B1392 51.143 -97.984 -4.225 1.00 0.00 C ATOM 29940 C6 A B1392 49.753 -98.113 -4.366 1.00 0.00 C ATOM 29941 N6 A B1392 49.040 -99.110 -3.826 1.00 0.00 N ATOM 29942 N1 A B1392 49.117 -97.179 -5.097 1.00 0.00 N ATOM 29943 C2 A B1392 49.830 -96.189 -5.638 1.00 0.00 C ATOM 29944 N3 A B1392 51.122 -95.968 -5.570 1.00 0.00 N ATOM 29945 C4 A B1392 51.735 -96.919 -4.840 1.00 0.00 C ATOM 29946 P A B1393 55.393 -95.113 -0.191 1.00 0.00 P ATOM 29947 O1P A B1393 54.174 -94.504 0.401 1.00 0.00 O ATOM 29948 O2P A B1393 56.570 -95.190 0.702 1.00 0.00 O ATOM 29949 O5* A B1393 55.016 -96.741 -0.930 1.00 0.00 O ATOM 29950 C5* A B1393 54.566 -98.110 -0.912 1.00 0.00 C ATOM 29951 C4* A B1393 55.548 -99.121 -0.077 1.00 0.00 C ATOM 29952 O4* A B1393 56.595 -99.730 -0.888 1.00 0.00 O ATOM 29953 C3* A B1393 56.298 -98.593 1.149 1.00 0.00 C ATOM 29954 O3* A B1393 55.492 -97.955 2.292 1.00 0.00 O ATOM 29955 C2* A B1393 57.360 -99.662 1.361 1.00 0.00 C ATOM 29956 O2* A B1393 56.802-100.825 1.952 1.00 0.00 O ATOM 29957 C1* A B1393 57.719-100.031 -0.078 1.00 0.00 C ATOM 29958 N9 A B1393 59.060 -99.210 -0.703 1.00 0.00 N ATOM 29959 C8 A B1393 59.583 -99.271 -1.974 1.00 0.00 C ATOM 29960 N7 A B1393 60.526 -98.409 -2.196 1.00 0.00 N ATOM 29961 C5 A B1393 60.642 -97.722 -0.994 1.00 0.00 C ATOM 29962 C6 A B1393 61.479 -96.671 -0.579 1.00 0.00 C ATOM 29963 N6 A B1393 62.399 -96.104 -1.376 1.00 0.00 N ATOM 29964 N1 A B1393 61.335 -96.224 0.680 1.00 0.00 N ATOM 29965 C2 A B1393 60.422 -96.794 1.461 1.00 0.00 C ATOM 29966 N3 A B1393 59.587 -97.779 1.186 1.00 0.00 N ATOM 29967 C4 A B1393 59.753 -98.202 -0.081 1.00 0.00 C ATOM 29968 P U B1394 54.616 -98.952 3.562 1.00 0.00 P ATOM 29969 O1P U B1394 54.824 -98.355 4.900 1.00 0.00 O ATOM 29970 O2P U B1394 54.879-100.405 3.456 1.00 0.00 O ATOM 29971 O5* U B1394 52.956 -98.529 2.929 1.00 0.00 O ATOM 29972 C5* U B1394 51.544 -98.506 2.634 1.00 0.00 C ATOM 29973 C4* U B1394 51.289 -98.498 1.033 1.00 0.00 C ATOM 29974 O4* U B1394 52.338 -99.132 0.243 1.00 0.00 O ATOM 29975 C3* U B1394 50.001 -98.857 0.291 1.00 0.00 C ATOM 29976 O3* U B1394 48.810 -97.934 0.625 1.00 0.00 O ATOM 29977 C2* U B1394 50.453 -98.815 -1.169 1.00 0.00 C ATOM 29978 O2* U B1394 50.578 -97.475 -1.620 1.00 0.00 O ATOM 29979 C1* U B1394 51.865 -99.384 -1.068 1.00 0.00 C ATOM 29980 N1 U B1394 51.980-101.053 -1.366 1.00 0.00 N ATOM 29981 C2 U B1394 51.568-101.495 -2.598 1.00 0.00 C ATOM 29982 O2 U B1394 51.040-100.762 -3.422 1.00 0.00 O ATOM 29983 N3 U B1394 51.783-102.835 -2.856 1.00 0.00 N ATOM 29984 C4 U B1394 52.367-103.746 -1.999 1.00 0.00 C ATOM 29985 O4 U B1394 52.510-104.925 -2.338 1.00 0.00 O ATOM 29986 C5 U B1394 52.772-103.190 -0.728 1.00 0.00 C ATOM 29987 C6 U B1394 52.569-101.891 -0.450 1.00 0.00 C ATOM 29988 P A B1395 47.491 -97.732 -0.637 1.00 0.00 P ATOM 29989 O1P A B1395 47.993 -97.053 -1.849 1.00 0.00 O ATOM 29990 O2P A B1395 46.276 -97.152 -0.028 1.00 0.00 O ATOM 29991 O5* A B1395 47.291 -99.532 -0.882 1.00 0.00 O ATOM 29992 C5* A B1395 46.167-100.326 -1.320 1.00 0.00 C ATOM 29993 C4* A B1395 46.009-101.854 -0.773 1.00 0.00 C ATOM 29994 O4* A B1395 46.155-102.891 -1.784 1.00 0.00 O ATOM 29995 C3* A B1395 46.665-102.457 0.472 1.00 0.00 C ATOM 29996 O3* A B1395 46.169-101.938 1.846 1.00 0.00 O ATOM 29997 C2* A B1395 46.285-103.932 0.349 1.00 0.00 C ATOM 29998 O2* A B1395 44.931-104.137 0.720 1.00 0.00 O ATOM 29999 C1* A B1395 46.371-104.145 -1.157 1.00 0.00 C ATOM 30000 N9 A B1395 47.847-104.763 -1.697 1.00 0.00 N ATOM 30001 C8 A B1395 48.736-104.203 -2.586 1.00 0.00 C ATOM 30002 N7 A B1395 49.852-104.851 -2.690 1.00 0.00 N ATOM 30003 C5 A B1395 49.709-105.916 -1.813 1.00 0.00 C ATOM 30004 C6 A B1395 50.559-106.979 -1.464 1.00 0.00 C ATOM 30005 N6 A B1395 51.785-107.149 -1.988 1.00 0.00 N ATOM 30006 N1 A B1395 50.106-107.862 -0.558 1.00 0.00 N ATOM 30007 C2 A B1395 48.886-107.690 -0.047 1.00 0.00 C ATOM 30008 N3 A B1395 48.010-106.743 -0.293 1.00 0.00 N ATOM 30009 C4 A B1395 48.489-105.871 -1.207 1.00 0.00 C ATOM 30010 P U B1396 46.441-100.182 2.253 1.00 0.00 P ATOM 30011 O1P U B1396 47.726 -99.725 1.677 1.00 0.00 O ATOM 30012 O2P U B1396 46.239 -99.893 3.691 1.00 0.00 O ATOM 30013 O5* U B1396 45.018 -99.666 1.240 1.00 0.00 O ATOM 30014 C5* U B1396 44.180 -99.326 0.113 1.00 0.00 C ATOM 30015 C4* U B1396 42.672 -99.959 0.165 1.00 0.00 C ATOM 30016 O4* U B1396 42.355-100.612 1.426 1.00 0.00 O ATOM 30017 C3* U B1396 41.428 -99.125 -0.147 1.00 0.00 C ATOM 30018 O3* U B1396 41.248 -98.669 -1.599 1.00 0.00 O ATOM 30019 C2* U B1396 40.307-100.025 0.370 1.00 0.00 C ATOM 30020 O2* U B1396 40.060-101.092 -0.530 1.00 0.00 O ATOM 30021 C1* U B1396 40.947-100.631 1.616 1.00 0.00 C ATOM 30022 N1 U B1396 40.596 -99.822 3.048 1.00 0.00 N ATOM 30023 C2 U B1396 39.268 -99.625 3.346 1.00 0.00 C ATOM 30024 O2 U B1396 38.362 -99.997 2.617 1.00 0.00 O ATOM 30025 N3 U B1396 39.018 -98.971 4.538 1.00 0.00 N ATOM 30026 C4 U B1396 39.961 -98.514 5.431 1.00 0.00 C ATOM 30027 O4 U B1396 39.618 -97.942 6.466 1.00 0.00 O ATOM 30028 C5 U B1396 41.324 -98.765 5.032 1.00 0.00 C ATOM 30029 C6 U B1396 41.596 -99.400 3.879 1.00 0.00 C ATOM 30030 P U B1397 41.671 -96.926 -1.943 1.00 0.00 P ATOM 30031 O1P U B1397 42.166 -96.760 -3.329 1.00 0.00 O ATOM 30032 O2P U B1397 42.519 -96.338 -0.881 1.00 0.00 O ATOM 30033 O5* U B1397 39.927 -96.414 -1.795 1.00 0.00 O ATOM 30034 C5* U B1397 38.894 -95.421 -1.628 1.00 0.00 C ATOM 30035 C4* U B1397 39.360 -94.216 -0.642 1.00 0.00 C ATOM 30036 O4* U B1397 40.737 -94.342 -0.180 1.00 0.00 O ATOM 30037 C3* U B1397 39.190 -92.717 -0.888 1.00 0.00 C ATOM 30038 O3* U B1397 37.779 -92.096 -1.067 1.00 0.00 O ATOM 30039 C2* U B1397 40.033 -92.113 0.234 1.00 0.00 C ATOM 30040 O2* U B1397 39.348 -92.186 1.475 1.00 0.00 O ATOM 30041 C1* U B1397 41.199 -93.092 0.310 1.00 0.00 C ATOM 30042 N1 U B1397 42.567 -92.636 -0.591 1.00 0.00 N ATOM 30043 C2 U B1397 43.286 -91.553 -0.134 1.00 0.00 C ATOM 30044 O2 U B1397 42.929 -90.878 0.815 1.00 0.00 O ATOM 30045 N3 U B1397 44.446 -91.275 -0.829 1.00 0.00 N ATOM 30046 C4 U B1397 44.940 -91.969 -1.913 1.00 0.00 C ATOM 30047 O4 U B1397 45.992 -91.628 -2.451 1.00 0.00 O ATOM 30048 C5 U B1397 44.118 -93.089 -2.320 1.00 0.00 C ATOM 30049 C6 U B1397 42.984 -93.382 -1.662 1.00 0.00 C ATOM 30050 P C B1398 36.769 -92.612 -2.516 1.00 0.00 P ATOM 30051 O1P C B1398 35.311 -92.602 -2.266 1.00 0.00 O ATOM 30052 O2P C B1398 37.321 -93.873 -3.054 1.00 0.00 O ATOM 30053 O5* C B1398 37.161 -91.394 -3.484 1.00 0.00 O ATOM 30054 C5* C B1398 36.797 -90.056 -3.101 1.00 0.00 C ATOM 30055 C4* C B1398 37.372 -89.061 -4.091 1.00 0.00 C ATOM 30056 O4* C B1398 38.824 -89.056 -3.966 1.00 0.00 O ATOM 30057 C3* C B1398 37.129 -89.376 -5.567 1.00 0.00 C ATOM 30058 O3* C B1398 35.883 -88.919 -5.990 1.00 0.00 O ATOM 30059 C2* C B1398 38.286 -88.641 -6.243 1.00 0.00 C ATOM 30060 O2* C B1398 38.035 -87.247 -6.293 1.00 0.00 O ATOM 30061 C1* C B1398 39.414 -88.855 -5.239 1.00 0.00 C ATOM 30062 N1 C B1398 40.268 -90.037 -5.543 1.00 0.00 N ATOM 30063 C2 C B1398 41.165 -89.940 -6.601 1.00 0.00 C ATOM 30064 O2 C B1398 41.216 -88.882 -7.241 1.00 0.00 O ATOM 30065 N3 C B1398 41.950 -91.005 -6.891 1.00 0.00 N ATOM 30066 C4 C B1398 41.865 -92.135 -6.176 1.00 0.00 C ATOM 30067 N4 C B1398 42.656 -93.145 -6.501 1.00 0.00 N ATOM 30068 C5 C B1398 40.951 -92.257 -5.082 1.00 0.00 C ATOM 30069 C6 C B1398 40.173 -91.180 -4.806 1.00 0.00 C ATOM 30070 P C B1399 35.076 -89.774 -7.123 1.00 0.00 P ATOM 30071 O1P C B1399 33.656 -89.354 -7.166 1.00 0.00 O ATOM 30072 O2P C B1399 35.313 -91.219 -6.909 1.00 0.00 O ATOM 30073 O5* C B1399 35.825 -89.294 -8.451 1.00 0.00 O ATOM 30074 C5* C B1399 35.798 -87.896 -8.803 1.00 0.00 C ATOM 30075 C4* C B1399 36.668 -87.650 -10.019 1.00 0.00 C ATOM 30076 O4* C B1399 38.060 -87.872 -9.654 1.00 0.00 O ATOM 30077 C3* C B1399 36.442 -88.593 -11.200 1.00 0.00 C ATOM 30078 O3* C B1399 35.384 -88.165 -12.001 1.00 0.00 O ATOM 30079 C2* C B1399 37.787 -88.531 -11.921 1.00 0.00 C ATOM 30080 O2* C B1399 37.912 -87.320 -12.650 1.00 0.00 O ATOM 30081 C1* C B1399 38.759 -88.441 -10.749 1.00 0.00 C ATOM 30082 N1 C B1399 39.293 -89.763 -10.315 1.00 0.00 N ATOM 30083 C2 C B1399 40.248 -90.374 -11.123 1.00 0.00 C ATOM 30084 O2 C B1399 40.609 -89.801 -12.157 1.00 0.00 O ATOM 30085 N3 C B1399 40.747 -91.579 -10.746 1.00 0.00 N ATOM 30086 C4 C B1399 40.332 -92.168 -9.618 1.00 0.00 C ATOM 30087 N4 C B1399 40.851 -93.342 -9.292 1.00 0.00 N ATOM 30088 C5 C B1399 39.352 -91.556 -8.771 1.00 0.00 C ATOM 30089 C6 C B1399 38.864 -90.353 -9.165 1.00 0.00 C ATOM 30090 P U B1400 34.454 -89.288 -12.733 1.00 0.00 P ATOM 30091 O1P U B1400 33.197 -88.673 -13.219 1.00 0.00 O ATOM 30092 O2P U B1400 34.294 -90.458 -11.840 1.00 0.00 O ATOM 30093 O5* U B1400 35.378 -89.681 -13.982 1.00 0.00 O ATOM 30094 C5* U B1400 35.736 -88.660 -14.933 1.00 0.00 C ATOM 30095 C4* U B1400 36.712 -89.218 -15.947 1.00 0.00 C ATOM 30096 O4* U B1400 37.976 -89.503 -15.283 1.00 0.00 O ATOM 30097 C3* U B1400 36.321 -90.554 -16.582 1.00 0.00 C ATOM 30098 O3* U B1400 35.458 -90.374 -17.662 1.00 0.00 O ATOM 30099 C2* U B1400 37.677 -91.119 -16.998 1.00 0.00 C ATOM 30100 O2* U B1400 38.153 -90.475 -18.168 1.00 0.00 O ATOM 30101 C1* U B1400 38.565 -90.663 -15.845 1.00 0.00 C ATOM 30102 N1 U B1400 38.715 -91.678 -14.763 1.00 0.00 N ATOM 30103 C2 U B1400 39.517 -92.760 -15.029 1.00 0.00 C ATOM 30104 O2 U B1400 40.097 -92.912 -16.091 1.00 0.00 O ATOM 30105 N3 U B1400 39.631 -93.677 -14.004 1.00 0.00 N ATOM 30106 C4 U B1400 39.022 -93.607 -12.766 1.00 0.00 C ATOM 30107 O4 U B1400 39.196 -94.492 -11.927 1.00 0.00 O ATOM 30108 C5 U B1400 38.198 -92.434 -12.585 1.00 0.00 C ATOM 30109 C6 U B1400 38.070 -91.523 -13.565 1.00 0.00 C ATOM 30110 P G B1401 34.314 -91.505 -17.949 1.00 0.00 P ATOM 30111 O1P G B1401 33.293 -90.972 -18.878 1.00 0.00 O ATOM 30112 O2P G B1401 33.806 -92.026 -16.662 1.00 0.00 O ATOM 30113 O5* G B1401 35.179 -92.630 -18.686 1.00 0.00 O ATOM 30114 C5* G B1401 35.845 -92.302 -19.920 1.00 0.00 C ATOM 30115 C4* G B1401 36.703 -93.468 -20.374 1.00 0.00 C ATOM 30116 O4* G B1401 37.806 -93.633 -19.438 1.00 0.00 O ATOM 30117 C3* G B1401 36.019 -94.834 -20.380 1.00 0.00 C ATOM 30118 O3* G B1401 35.299 -95.041 -21.555 1.00 0.00 O ATOM 30119 C2* G B1401 37.203 -95.787 -20.240 1.00 0.00 C ATOM 30120 O2* G B1401 37.900 -95.907 -21.467 1.00 0.00 O ATOM 30121 C1* G B1401 38.111 -95.010 -19.289 1.00 0.00 C ATOM 30122 N9 G B1401 37.925 -95.370 -17.855 1.00 0.00 N ATOM 30123 C8 G B1401 37.305 -94.657 -16.853 1.00 0.00 C ATOM 30124 N7 G B1401 37.311 -95.261 -15.687 1.00 0.00 N ATOM 30125 C5 G B1401 37.988 -96.455 -15.937 1.00 0.00 C ATOM 30126 C6 G B1401 38.306 -97.523 -15.063 1.00 0.00 C ATOM 30127 O6 G B1401 38.056 -97.638 -13.865 1.00 0.00 O ATOM 30128 N1 G B1401 38.999 -98.545 -15.730 1.00 0.00 N ATOM 30129 C2 G B1401 39.337 -98.532 -17.069 1.00 0.00 C ATOM 30130 N2 G B1401 39.998 -99.602 -17.515 1.00 0.00 N ATOM 30131 N3 G B1401 39.037 -97.530 -17.890 1.00 0.00 N ATOM 30132 C4 G B1401 38.364 -96.532 -17.257 1.00 0.00 C ATOM 30133 P U B1402 33.919 -95.915 -21.487 1.00 0.00 P ATOM 30134 O1P U B1402 33.128 -95.713 -22.721 1.00 0.00 O ATOM 30135 O2P U B1402 33.218 -95.627 -20.218 1.00 0.00 O ATOM 30136 O5* U B1402 34.507 -97.403 -21.457 1.00 0.00 O ATOM 30137 C5* U B1402 35.308 -97.861 -22.561 1.00 0.00 C ATOM 30138 C4* U B1402 35.859 -99.241 -22.266 1.00 0.00 C ATOM 30139 O4* U B1402 36.826 -99.140 -21.180 1.00 0.00 O ATOM 30140 C3* U B1402 34.846-100.268 -21.762 1.00 0.00 C ATOM 30141 O3* U B1402 34.169-100.876 -22.818 1.00 0.00 O ATOM 30142 C2* U B1402 35.734-101.241 -20.992 1.00 0.00 C ATOM 30143 O2* U B1402 36.450-102.084 -21.882 1.00 0.00 O ATOM 30144 C1* U B1402 36.752-100.298 -20.363 1.00 0.00 C ATOM 30145 N1 U B1402 36.394 -99.862 -18.984 1.00 0.00 N ATOM 30146 C2 U B1402 36.550-100.786 -17.978 1.00 0.00 C ATOM 30147 O2 U B1402 36.958-101.917 -18.176 1.00 0.00 O ATOM 30148 N3 U B1402 36.210-100.347 -16.713 1.00 0.00 N ATOM 30149 C4 U B1402 35.737 -99.095 -16.377 1.00 0.00 C ATOM 30150 O4 U B1402 35.465 -98.817 -15.208 1.00 0.00 O ATOM 30151 C5 U B1402 35.609 -98.196 -17.501 1.00 0.00 C ATOM 30152 C6 U B1402 35.933 -98.596 -18.741 1.00 0.00 C ATOM 30153 P A B1403 32.590-102.768 -23.042 1.00 0.00 P ATOM 30154 O1P A B1403 32.979-101.874 -21.928 1.00 0.00 O ATOM 30155 O2P A B1403 33.489-102.753 -24.221 1.00 0.00 O ATOM 30156 O5* A B1403 31.093-102.442 -23.502 1.00 0.00 O ATOM 30157 C5* A B1403 30.482-103.258 -24.518 1.00 0.00 C ATOM 30158 C4* A B1403 29.034-102.857 -24.706 1.00 0.00 C ATOM 30159 O4* A B1403 28.287-103.214 -23.506 1.00 0.00 O ATOM 30160 C3* A B1403 28.773-101.357 -24.866 1.00 0.00 C ATOM 30161 O3* A B1403 28.946-100.948 -26.188 1.00 0.00 O ATOM 30162 C2* A B1403 27.326-101.231 -24.398 1.00 0.00 C ATOM 30163 O2* A B1403 26.430-101.699 -25.393 1.00 0.00 O ATOM 30164 C1* A B1403 27.284-102.242 -23.256 1.00 0.00 C ATOM 30165 N9 A B1403 27.547-101.642 -21.919 1.00 0.00 N ATOM 30166 C8 A B1403 28.674-101.735 -21.135 1.00 0.00 C ATOM 30167 N7 A B1403 28.585-101.093 -20.011 1.00 0.00 N ATOM 30168 C5 A B1403 27.316-100.537 -20.039 1.00 0.00 C ATOM 30169 C6 A B1403 26.615 -99.726 -19.130 1.00 0.00 C ATOM 30170 N6 A B1403 27.119 -99.327 -17.954 1.00 0.00 N ATOM 30171 N1 A B1403 25.369 -99.347 -19.470 1.00 0.00 N ATOM 30172 C2 A B1403 24.873 -99.749 -20.641 1.00 0.00 C ATOM 30173 N3 A B1403 25.433-100.500 -21.566 1.00 0.00 N ATOM 30174 C4 A B1403 26.677-100.866 -21.197 1.00 0.00 C ATOM 30175 P C B1404 29.535 -99.451 -26.474 1.00 0.00 P ATOM 30176 O1P C B1404 29.989 -99.338 -27.880 1.00 0.00 O ATOM 30177 O2P C B1404 30.539 -99.111 -25.443 1.00 0.00 O ATOM 30178 O5* C B1404 28.218 -98.568 -26.259 1.00 0.00 O ATOM 30179 C5* C B1404 27.076 -98.800 -27.102 1.00 0.00 C ATOM 30180 C4* C B1404 25.909 -97.945 -26.643 1.00 0.00 C ATOM 30181 O4* C B1404 25.460 -98.421 -25.342 1.00 0.00 O ATOM 30182 C3* C B1404 26.221 -96.466 -26.409 1.00 0.00 C ATOM 30183 O3* C B1404 26.156 -95.735 -27.594 1.00 0.00 O ATOM 30184 C2* C B1404 25.135 -96.068 -25.411 1.00 0.00 C ATOM 30185 O2* C B1404 23.885 -95.909 -26.062 1.00 0.00 O ATOM 30186 C1* C B1404 25.031 -97.323 -24.553 1.00 0.00 C ATOM 30187 N1 C B1404 25.877 -97.280 -23.327 1.00 0.00 N ATOM 30188 C2 C B1404 25.458 -96.469 -22.275 1.00 0.00 C ATOM 30189 O2 C B1404 24.412 -95.823 -22.401 1.00 0.00 O ATOM 30190 N3 C B1404 26.215 -96.416 -21.150 1.00 0.00 N ATOM 30191 C4 C B1404 27.341 -97.131 -21.051 1.00 0.00 C ATOM 30192 N4 C B1404 28.044 -97.047 -19.932 1.00 0.00 N ATOM 30193 C5 C B1404 27.791 -97.973 -22.121 1.00 0.00 C ATOM 30194 C6 C B1404 27.021 -98.011 -23.236 1.00 0.00 C ATOM 30195 P U B1405 25.272 -95.104 -29.481 1.00 0.00 P ATOM 30196 O1P U B1405 26.711 -95.011 -29.813 1.00 0.00 O ATOM 30197 O2P U B1405 24.700 -93.946 -28.759 1.00 0.00 O ATOM 30198 O5* U B1405 24.426 -95.393 -30.808 1.00 0.00 O ATOM 30199 C5* U B1405 24.759 -96.537 -31.614 1.00 0.00 C ATOM 30200 C4* U B1405 23.759 -96.685 -32.742 1.00 0.00 C ATOM 30201 O4* U B1405 22.464 -97.042 -32.179 1.00 0.00 O ATOM 30202 C3* U B1405 23.471 -95.419 -33.548 1.00 0.00 C ATOM 30203 O3* U B1405 24.418 -95.225 -34.552 1.00 0.00 O ATOM 30204 C2* U B1405 22.076 -95.700 -34.100 1.00 0.00 C ATOM 30205 O2* U B1405 22.138 -96.613 -35.182 1.00 0.00 O ATOM 30206 C1* U B1405 21.428 -96.435 -32.933 1.00 0.00 C ATOM 30207 N1 U B1405 20.653 -95.549 -32.021 1.00 0.00 N ATOM 30208 C2 U B1405 19.441 -95.088 -32.475 1.00 0.00 C ATOM 30209 O2 U B1405 18.992 -95.373 -33.571 1.00 0.00 O ATOM 30210 N3 U B1405 18.752 -94.268 -31.601 1.00 0.00 N ATOM 30211 C4 U B1405 19.167 -93.881 -30.344 1.00 0.00 C ATOM 30212 O4 U B1405 18.463 -93.141 -29.649 1.00 0.00 O ATOM 30213 C5 U B1405 20.451 -94.415 -29.954 1.00 0.00 C ATOM 30214 C6 U B1405 21.141 -95.217 -30.785 1.00 0.00 C ATOM 30215 P U B1406 24.838 -93.698 -34.951 1.00 0.00 P ATOM 30216 O1P U B1406 26.087 -93.701 -35.746 1.00 0.00 O ATOM 30217 O2P U B1406 24.852 -92.857 -33.733 1.00 0.00 O ATOM 30218 O5* U B1406 23.604 -93.281 -35.883 1.00 0.00 O ATOM 30219 C5* U B1406 23.349 -94.034 -37.084 1.00 0.00 C ATOM 30220 C4* U B1406 22.071 -93.551 -37.738 1.00 0.00 C ATOM 30221 O4* U B1406 20.943 -93.900 -36.887 1.00 0.00 O ATOM 30222 C3* U B1406 21.946 -92.039 -37.914 1.00 0.00 C ATOM 30223 O3* U B1406 22.582 -91.605 -39.075 1.00 0.00 O ATOM 30224 C2* U B1406 20.431 -91.848 -37.967 1.00 0.00 C ATOM 30225 O2* U B1406 19.919 -92.239 -39.230 1.00 0.00 O ATOM 30226 C1* U B1406 19.957 -92.885 -36.954 1.00 0.00 C ATOM 30227 N1 U B1406 19.763 -92.337 -35.582 1.00 0.00 N ATOM 30228 C2 U B1406 18.661 -91.547 -35.375 1.00 0.00 C ATOM 30229 O2 U B1406 17.856 -91.284 -36.254 1.00 0.00 O ATOM 30230 N3 U B1406 18.514 -91.057 -34.091 1.00 0.00 N ATOM 30231 C4 U B1406 19.360 -91.287 -33.026 1.00 0.00 C ATOM 30232 O4 U B1406 19.126 -90.791 -31.919 1.00 0.00 O ATOM 30233 C5 U B1406 20.490 -92.127 -33.342 1.00 0.00 C ATOM 30234 C6 U B1406 20.657 -92.617 -34.581 1.00 0.00 C ATOM 30235 P G B1407 23.291 -90.134 -39.077 1.00 0.00 P ATOM 30236 O1P G B1407 24.208 -90.010 -40.233 1.00 0.00 O ATOM 30237 O2P G B1407 23.891 -89.875 -37.750 1.00 0.00 O ATOM 30238 O5* G B1407 22.019 -89.186 -39.291 1.00 0.00 O ATOM 30239 C5* G B1407 21.229 -89.335 -40.486 1.00 0.00 C ATOM 30240 C4* G B1407 20.015 -88.433 -40.421 1.00 0.00 C ATOM 30241 O4* G B1407 19.124 -88.916 -39.374 1.00 0.00 O ATOM 30242 C3* G B1407 20.285 -86.979 -40.029 1.00 0.00 C ATOM 30243 O3* G B1407 20.662 -86.216 -41.131 1.00 0.00 O ATOM 30244 C2* G B1407 18.939 -86.549 -39.449 1.00 0.00 C ATOM 30245 O2* G B1407 18.001 -86.307 -40.482 1.00 0.00 O ATOM 30246 C1* G B1407 18.494 -87.819 -38.732 1.00 0.00 C ATOM 30247 N9 G B1407 18.865 -87.854 -37.290 1.00 0.00 N ATOM 30248 C8 G B1407 19.849 -88.586 -36.662 1.00 0.00 C ATOM 30249 N7 G B1407 19.918 -88.387 -35.367 1.00 0.00 N ATOM 30250 C5 G B1407 18.908 -87.458 -35.120 1.00 0.00 C ATOM 30251 C6 G B1407 18.495 -86.858 -33.903 1.00 0.00 C ATOM 30252 O6 G B1407 18.943 -87.024 -32.772 1.00 0.00 O ATOM 30253 N1 G B1407 17.429 -85.972 -34.106 1.00 0.00 N ATOM 30254 C2 G B1407 16.838 -85.698 -35.325 1.00 0.00 C ATOM 30255 N2 G B1407 15.836 -84.819 -35.307 1.00 0.00 N ATOM 30256 N3 G B1407 17.225 -86.263 -36.466 1.00 0.00 N ATOM 30257 C4 G B1407 18.260 -87.130 -36.289 1.00 0.00 C ATOM 30258 P G B1408 21.735 -85.002 -40.914 1.00 0.00 P ATOM 30259 O1P G B1408 22.281 -84.565 -42.218 1.00 0.00 O ATOM 30260 O2P G B1408 22.736 -85.407 -39.903 1.00 0.00 O ATOM 30261 O5* G B1408 20.783 -83.865 -40.316 1.00 0.00 O ATOM 30262 C5* G B1408 19.679 -83.389 -41.107 1.00 0.00 C ATOM 30263 C4* G B1408 18.846 -82.413 -40.303 1.00 0.00 C ATOM 30264 O4* G B1408 18.190 -83.133 -39.221 1.00 0.00 O ATOM 30265 C3* G B1408 19.623 -81.305 -39.586 1.00 0.00 C ATOM 30266 O3* G B1408 19.877 -80.230 -40.433 1.00 0.00 O ATOM 30267 C2* G B1408 18.681 -80.944 -38.441 1.00 0.00 C ATOM 30268 O2* G B1408 17.600 -80.157 -38.907 1.00 0.00 O ATOM 30269 C1* G B1408 18.112 -82.310 -38.070 1.00 0.00 C ATOM 30270 N9 G B1408 18.849 -82.987 -36.969 1.00 0.00 N ATOM 30271 C8 G B1408 19.718 -84.055 -37.028 1.00 0.00 C ATOM 30272 N7 G B1408 20.203 -84.413 -35.865 1.00 0.00 N ATOM 30273 C5 G B1408 19.617 -83.521 -34.969 1.00 0.00 C ATOM 30274 C6 G B1408 19.758 -83.410 -33.563 1.00 0.00 C ATOM 30275 O6 G B1408 20.440 -84.091 -32.804 1.00 0.00 O ATOM 30276 N1 G B1408 18.982 -82.363 -33.049 1.00 0.00 N ATOM 30277 C2 G B1408 18.175 -81.530 -33.798 1.00 0.00 C ATOM 30278 N2 G B1408 17.514 -80.588 -33.122 1.00 0.00 N ATOM 30279 N3 G B1408 18.041 -81.632 -35.119 1.00 0.00 N ATOM 30280 C4 G B1408 18.789 -82.646 -35.633 1.00 0.00 C ATOM 30281 P U B1409 21.268 -79.396 -40.249 1.00 0.00 P ATOM 30282 O1P U B1409 21.523 -78.552 -41.441 1.00 0.00 O ATOM 30283 O2P U B1409 22.355 -80.327 -39.873 1.00 0.00 O ATOM 30284 O5* U B1409 20.896 -78.465 -39.000 1.00 0.00 O ATOM 30285 C5* U B1409 19.799 -77.540 -39.121 1.00 0.00 C ATOM 30286 C4* U B1409 19.547 -76.860 -37.791 1.00 0.00 C ATOM 30287 O4* U B1409 19.043 -77.848 -36.843 1.00 0.00 O ATOM 30288 C3* U B1409 20.778 -76.277 -37.096 1.00 0.00 C ATOM 30289 O3* U B1409 21.080 -75.004 -37.573 1.00 0.00 O ATOM 30290 C2* U B1409 20.343 -76.272 -35.631 1.00 0.00 C ATOM 30291 O2* U B1409 19.449 -75.204 -35.377 1.00 0.00 O ATOM 30292 C1* U B1409 19.535 -77.561 -35.546 1.00 0.00 C ATOM 30293 N1 U B1409 20.328 -78.736 -35.084 1.00 0.00 N ATOM 30294 C2 U B1409 20.655 -78.785 -33.752 1.00 0.00 C ATOM 30295 O2 U B1409 20.326 -77.924 -32.954 1.00 0.00 O ATOM 30296 N3 U B1409 21.390 -79.889 -33.363 1.00 0.00 N ATOM 30297 C4 U B1409 21.813 -80.921 -34.176 1.00 0.00 C ATOM 30298 O4 U B1409 22.467 -81.857 -33.710 1.00 0.00 O ATOM 30299 C5 U B1409 21.422 -80.778 -35.558 1.00 0.00 C ATOM 30300 C6 U B1409 20.708 -79.715 -35.964 1.00 0.00 C ATOM 30301 P G B1410 22.645 -74.547 -37.655 1.00 0.00 P ATOM 30302 O1P G B1410 22.783 -73.346 -38.511 1.00 0.00 O ATOM 30303 O2P G B1410 23.478 -75.710 -38.040 1.00 0.00 O ATOM 30304 O5* G B1410 22.927 -74.161 -36.130 1.00 0.00 O ATOM 30305 C5* G B1410 22.154 -73.109 -35.519 1.00 0.00 C ATOM 30306 C4* G B1410 22.497 -72.996 -34.048 1.00 0.00 C ATOM 30307 O4* G B1410 22.022 -74.190 -33.363 1.00 0.00 O ATOM 30308 C3* G B1410 23.988 -72.951 -33.713 1.00 0.00 C ATOM 30309 O3* G B1410 24.495 -71.657 -33.821 1.00 0.00 O ATOM 30310 C2* G B1410 24.008 -73.474 -32.278 1.00 0.00 C ATOM 30311 O2* G B1410 23.571 -72.477 -31.373 1.00 0.00 O ATOM 30312 C1* G B1410 22.923 -74.541 -32.324 1.00 0.00 C ATOM 30313 N9 G B1410 23.440 -75.912 -32.604 1.00 0.00 N ATOM 30314 C8 G B1410 23.353 -76.654 -33.764 1.00 0.00 C ATOM 30315 N7 G B1410 23.918 -77.835 -33.682 1.00 0.00 N ATOM 30316 C5 G B1410 24.413 -77.877 -32.378 1.00 0.00 C ATOM 30317 C6 G B1410 25.123 -78.902 -31.704 1.00 0.00 C ATOM 30318 O6 G B1410 25.469 -80.003 -32.124 1.00 0.00 O ATOM 30319 N1 G B1410 25.436 -78.530 -30.390 1.00 0.00 N ATOM 30320 C2 G B1410 25.104 -77.322 -29.802 1.00 0.00 C ATOM 30321 N2 G B1410 25.494 -77.160 -28.539 1.00 0.00 N ATOM 30322 N3 G B1410 24.437 -76.362 -30.437 1.00 0.00 N ATOM 30323 C4 G B1410 24.127 -76.708 -31.716 1.00 0.00 C ATOM 30324 P U B1411 26.034 -71.459 -34.327 1.00 0.00 P ATOM 30325 O1P U B1411 26.265 -70.054 -34.725 1.00 0.00 O ATOM 30326 O2P U B1411 26.352 -72.477 -35.350 1.00 0.00 O ATOM 30327 O5* U B1411 26.838 -71.778 -32.978 1.00 0.00 O ATOM 30328 C5* U B1411 26.608 -70.956 -31.820 1.00 0.00 C ATOM 30329 C4* U B1411 27.371 -71.511 -30.631 1.00 0.00 C ATOM 30330 O4* U B1411 26.786 -72.789 -30.252 1.00 0.00 O ATOM 30331 C3* U B1411 28.844 -71.840 -30.881 1.00 0.00 C ATOM 30332 O3* U B1411 29.649 -70.712 -30.739 1.00 0.00 O ATOM 30333 C2* U B1411 29.119 -72.897 -29.815 1.00 0.00 C ATOM 30334 O2* U B1411 29.260 -72.298 -28.539 1.00 0.00 O ATOM 30335 C1* U B1411 27.802 -73.668 -29.800 1.00 0.00 C ATOM 30336 N1 U B1411 27.802 -74.867 -30.686 1.00 0.00 N ATOM 30337 C2 U B1411 28.512 -75.962 -30.258 1.00 0.00 C ATOM 30338 O2 U B1411 29.129 -75.982 -29.205 1.00 0.00 O ATOM 30339 N3 U B1411 28.488 -77.055 -31.104 1.00 0.00 N ATOM 30340 C4 U B1411 27.829 -77.137 -32.313 1.00 0.00 C ATOM 30341 O4 U B1411 27.880 -78.169 -32.985 1.00 0.00 O ATOM 30342 C5 U B1411 27.112 -75.939 -32.678 1.00 0.00 C ATOM 30343 C6 U B1411 27.119 -74.863 -31.874 1.00 0.00 C ATOM 30344 P U B1412 30.972 -70.568 -31.685 1.00 0.00 P ATOM 30345 O1P U B1412 31.474 -69.176 -31.657 1.00 0.00 O ATOM 30346 O2P U B1412 30.676 -71.118 -33.030 1.00 0.00 O ATOM 30347 O5* U B1412 31.995 -71.532 -30.921 1.00 0.00 O ATOM 30348 C5* U B1412 32.348 -71.227 -29.556 1.00 0.00 C ATOM 30349 C4* U B1412 33.224 -72.329 -28.992 1.00 0.00 C ATOM 30350 O4* U B1412 32.428 -73.542 -28.863 1.00 0.00 O ATOM 30351 C3* U B1412 34.406 -72.754 -29.863 1.00 0.00 C ATOM 30352 O3* U B1412 35.508 -71.924 -29.672 1.00 0.00 O ATOM 30353 C2* U B1412 34.655 -74.184 -29.389 1.00 0.00 C ATOM 30354 O2* U B1412 35.321 -74.189 -28.138 1.00 0.00 O ATOM 30355 C1* U B1412 33.234 -74.678 -29.140 1.00 0.00 C ATOM 30356 N1 U B1412 32.636 -75.393 -30.303 1.00 0.00 N ATOM 30357 C2 U B1412 33.093 -76.665 -30.555 1.00 0.00 C ATOM 30358 O2 U B1412 33.948 -77.211 -29.877 1.00 0.00 O ATOM 30359 N3 U B1412 32.516 -77.299 -31.640 1.00 0.00 N ATOM 30360 C4 U B1412 31.547 -76.778 -32.471 1.00 0.00 C ATOM 30361 O4 U B1412 31.105 -77.443 -33.413 1.00 0.00 O ATOM 30362 C5 U B1412 31.132 -75.438 -32.124 1.00 0.00 C ATOM 30363 C6 U B1412 31.676 -74.801 -31.077 1.00 0.00 C ATOM 30364 P A B1413 36.490 -71.617 -30.939 1.00 0.00 P ATOM 30365 O1P A B1413 37.359 -70.455 -30.644 1.00 0.00 O ATOM 30366 O2P A B1413 35.683 -71.519 -32.175 1.00 0.00 O ATOM 30367 O5* A B1413 37.366 -72.957 -30.972 1.00 0.00 O ATOM 30368 C5* A B1413 38.165 -73.294 -29.822 1.00 0.00 C ATOM 30369 C4* A B1413 38.806 -74.650 -30.020 1.00 0.00 C ATOM 30370 O4* A B1413 37.766 -75.671 -30.009 1.00 0.00 O ATOM 30371 C3* A B1413 39.519 -74.867 -31.355 1.00 0.00 C ATOM 30372 O3* A B1413 40.821 -74.370 -31.327 1.00 0.00 O ATOM 30373 C2* A B1413 39.470 -76.385 -31.506 1.00 0.00 C ATOM 30374 O2* A B1413 40.430 -77.005 -30.667 1.00 0.00 O ATOM 30375 C1* A B1413 38.100 -76.706 -30.920 1.00 0.00 C ATOM 30376 N9 A B1413 37.016 -76.784 -31.942 1.00 0.00 N ATOM 30377 C8 A B1413 36.007 -75.887 -32.207 1.00 0.00 C ATOM 30378 N7 A B1413 35.218 -76.250 -33.169 1.00 0.00 N ATOM 30379 C5 A B1413 35.729 -77.474 -33.579 1.00 0.00 C ATOM 30380 C6 A B1413 35.334 -78.379 -34.576 1.00 0.00 C ATOM 30381 N6 A B1413 34.277 -78.184 -35.377 1.00 0.00 N ATOM 30382 N1 A B1413 36.061 -79.503 -34.718 1.00 0.00 N ATOM 30383 C2 A B1413 37.110 -79.693 -33.918 1.00 0.00 C ATOM 30384 N3 A B1413 37.572 -78.921 -32.958 1.00 0.00 N ATOM 30385 C4 A B1413 36.824 -77.805 -32.836 1.00 0.00 C ATOM 30386 P C B1414 41.446 -73.730 -32.692 1.00 0.00 P ATOM 30387 O1P C B1414 42.661 -72.942 -32.381 1.00 0.00 O ATOM 30388 O2P C B1414 40.386 -73.012 -33.432 1.00 0.00 O ATOM 30389 O5* C B1414 41.855 -75.062 -33.484 1.00 0.00 O ATOM 30390 C5* C B1414 42.814 -75.959 -32.896 1.00 0.00 C ATOM 30391 C4* C B1414 42.954 -77.200 -33.751 1.00 0.00 C ATOM 30392 O4* C B1414 41.712 -77.960 -33.689 1.00 0.00 O ATOM 30393 C3* C B1414 43.165 -76.962 -35.246 1.00 0.00 C ATOM 30394 O3* C B1414 44.507 -76.730 -35.543 1.00 0.00 O ATOM 30395 C2* C B1414 42.642 -78.257 -35.855 1.00 0.00 C ATOM 30396 O2* C B1414 43.578 -79.307 -35.690 1.00 0.00 O ATOM 30397 C1* C B1414 41.458 -78.572 -34.944 1.00 0.00 C ATOM 30398 N1 C B1414 40.157 -78.055 -35.453 1.00 0.00 N ATOM 30399 C2 C B1414 39.570 -78.721 -36.523 1.00 0.00 C ATOM 30400 O2 C B1414 40.147 -79.706 -37.005 1.00 0.00 O ATOM 30401 N3 C B1414 38.383 -78.269 -37.005 1.00 0.00 N ATOM 30402 C4 C B1414 37.789 -77.198 -36.457 1.00 0.00 C ATOM 30403 N4 C B1414 36.633 -76.797 -36.960 1.00 0.00 N ATOM 30404 C5 C B1414 38.377 -76.500 -35.354 1.00 0.00 C ATOM 30405 C6 C B1414 39.563 -76.969 -34.890 1.00 0.00 C ATOM 30406 P U B1415 44.877 -75.698 -36.752 1.00 0.00 P ATOM 30407 O1P U B1415 46.301 -75.308 -36.677 1.00 0.00 O ATOM 30408 O2P U B1415 43.902 -74.584 -36.764 1.00 0.00 O ATOM 30409 O5* U B1415 44.643 -76.635 -38.029 1.00 0.00 O ATOM 30410 C5* U B1415 45.427 -77.834 -38.167 1.00 0.00 C ATOM 30411 C4* U B1415 44.956 -78.624 -39.372 1.00 0.00 C ATOM 30412 O4* U B1415 43.618 -79.138 -39.105 1.00 0.00 O ATOM 30413 C3* U B1415 44.793 -77.832 -40.669 1.00 0.00 C ATOM 30414 O3* U B1415 46.003 -77.715 -41.350 1.00 0.00 O ATOM 30415 C2* U B1415 43.767 -78.669 -41.430 1.00 0.00 C ATOM 30416 O2* U B1415 44.370 -79.827 -41.976 1.00 0.00 O ATOM 30417 C1* U B1415 42.855 -79.137 -40.300 1.00 0.00 C ATOM 30418 N1 U B1415 41.668 -78.260 -40.087 1.00 0.00 N ATOM 30419 C2 U B1415 40.655 -78.343 -41.015 1.00 0.00 C ATOM 30420 O2 U B1415 40.699 -79.089 -41.978 1.00 0.00 O ATOM 30421 N3 U B1415 39.575 -77.520 -40.784 1.00 0.00 N ATOM 30422 C4 U B1415 39.421 -76.637 -39.733 1.00 0.00 C ATOM 30423 O4 U B1415 38.405 -75.948 -39.632 1.00 0.00 O ATOM 30424 C5 U B1415 40.535 -76.622 -38.813 1.00 0.00 C ATOM 30425 C6 U B1415 41.602 -77.416 -39.014 1.00 0.00 C ATOM 30426 P G B1416 46.772 -75.995 -41.355 1.00 0.00 P ATOM 30427 O1P G B1416 48.027 -76.036 -42.145 1.00 0.00 O ATOM 30428 O2P G B1416 46.893 -75.475 -39.975 1.00 0.00 O ATOM 30429 O5* G B1416 45.520 -74.984 -42.256 1.00 0.00 O ATOM 30430 C5* G B1416 45.757 -73.617 -42.757 1.00 0.00 C ATOM 30431 C4* G B1416 46.508 -73.615 -44.203 1.00 0.00 C ATOM 30432 O4* G B1416 47.027 -74.952 -44.469 1.00 0.00 O ATOM 30433 C3* G B1416 45.968 -73.151 -45.557 1.00 0.00 C ATOM 30434 O3* G B1416 44.570 -72.631 -45.996 1.00 0.00 O ATOM 30435 C2* G B1416 46.976 -73.763 -46.530 1.00 0.00 C ATOM 30436 O2* G B1416 48.184 -73.024 -46.532 1.00 0.00 O ATOM 30437 C1* G B1416 47.278 -75.102 -45.860 1.00 0.00 C ATOM 30438 N9 G B1416 46.341 -76.417 -46.438 1.00 0.00 N ATOM 30439 C8 G B1416 45.809 -77.479 -45.740 1.00 0.00 C ATOM 30440 N7 G B1416 45.048 -78.265 -46.463 1.00 0.00 N ATOM 30441 C5 G B1416 45.075 -77.686 -47.729 1.00 0.00 C ATOM 30442 C6 G B1416 44.442 -78.082 -48.932 1.00 0.00 C ATOM 30443 O6 G B1416 43.712 -79.046 -49.137 1.00 0.00 O ATOM 30444 N1 G B1416 44.743 -77.204 -49.986 1.00 0.00 N ATOM 30445 C2 G B1416 45.548 -76.088 -49.887 1.00 0.00 C ATOM 30446 N2 G B1416 45.711 -75.378 -51.006 1.00 0.00 N ATOM 30447 N3 G B1416 46.144 -75.710 -48.753 1.00 0.00 N ATOM 30448 C4 G B1416 45.865 -76.555 -47.723 1.00 0.00 C ATOM 30449 P C B1417 44.482 -71.663 -47.572 1.00 0.00 P ATOM 30450 O1P C B1417 43.361 -72.146 -48.407 1.00 0.00 O ATOM 30451 O2P C B1417 45.810 -71.658 -48.223 1.00 0.00 O ATOM 30452 O5* C B1417 44.005 -69.992 -46.951 1.00 0.00 O ATOM 30453 C5* C B1417 43.388 -68.671 -47.151 1.00 0.00 C ATOM 30454 C4* C B1417 42.036 -68.579 -48.076 1.00 0.00 C ATOM 30455 O4* C B1417 41.590 -69.805 -48.723 1.00 0.00 O ATOM 30456 C3* C B1417 40.745 -67.798 -47.825 1.00 0.00 C ATOM 30457 O3* C B1417 40.649 -66.448 -47.107 1.00 0.00 O ATOM 30458 C2* C B1417 39.916 -68.151 -49.060 1.00 0.00 C ATOM 30459 O2* C B1417 40.372 -67.426 -50.194 1.00 0.00 O ATOM 30460 C1* C B1417 40.302 -69.609 -49.283 1.00 0.00 C ATOM 30461 N1 C B1417 39.220 -70.758 -48.576 1.00 0.00 N ATOM 30462 C2 C B1417 37.857 -70.572 -48.775 1.00 0.00 C ATOM 30463 O2 C B1417 37.477 -69.569 -49.392 1.00 0.00 O ATOM 30464 N3 C B1417 36.992 -71.495 -48.282 1.00 0.00 N ATOM 30465 C4 C B1417 37.442 -72.567 -47.619 1.00 0.00 C ATOM 30466 N4 C B1417 36.558 -73.437 -47.157 1.00 0.00 N ATOM 30467 C5 C B1417 38.842 -72.778 -47.404 1.00 0.00 C ATOM 30468 C6 C B1417 39.690 -71.841 -47.899 1.00 0.00 C ATOM 30469 P G B1418 40.366 -64.798 -47.909 1.00 0.00 P ATOM 30470 O1P G B1418 41.112 -64.666 -49.183 1.00 0.00 O ATOM 30471 O2P G B1418 40.659 -63.777 -46.881 1.00 0.00 O ATOM 30472 O5* G B1418 38.552 -64.840 -48.317 1.00 0.00 O ATOM 30473 C5* G B1418 37.343 -64.742 -49.171 1.00 0.00 C ATOM 30474 C4* G B1418 35.839 -64.838 -48.488 1.00 0.00 C ATOM 30475 O4* G B1418 35.912 -65.102 -47.056 1.00 0.00 O ATOM 30476 C3* G B1418 34.691 -63.837 -48.618 1.00 0.00 C ATOM 30477 O3* G B1418 34.073 -63.369 -49.920 1.00 0.00 O ATOM 30478 C2* G B1418 33.725 -64.323 -47.540 1.00 0.00 C ATOM 30479 O2* G B1418 33.027 -65.477 -47.970 1.00 0.00 O ATOM 30480 C1* G B1418 34.683 -64.758 -46.440 1.00 0.00 C ATOM 30481 N9 G B1418 34.991 -63.570 -45.254 1.00 0.00 N ATOM 30482 C8 G B1418 35.343 -62.249 -45.417 1.00 0.00 C ATOM 30483 N7 G B1418 35.617 -61.622 -44.298 1.00 0.00 N ATOM 30484 C5 G B1418 35.435 -62.601 -43.320 1.00 0.00 C ATOM 30485 C6 G B1418 35.579 -62.525 -41.914 1.00 0.00 C ATOM 30486 O6 G B1418 35.906 -61.564 -41.226 1.00 0.00 O ATOM 30487 N1 G B1418 35.290 -63.752 -41.302 1.00 0.00 N ATOM 30488 C2 G B1418 34.912 -64.904 -41.963 1.00 0.00 C ATOM 30489 N2 G B1418 34.684 -65.975 -41.199 1.00 0.00 N ATOM 30490 N3 G B1418 34.778 -64.976 -43.288 1.00 0.00 N ATOM 30491 C4 G B1418 35.053 -63.792 -43.893 1.00 0.00 C ATOM 30492 P A B1419 32.225 -63.279 -50.004 1.00 0.00 P ATOM 30493 O1P A B1419 31.612 -64.622 -49.877 1.00 0.00 O ATOM 30494 O2P A B1419 31.848 -62.510 -51.214 1.00 0.00 O ATOM 30495 O5* A B1419 31.911 -62.325 -48.468 1.00 0.00 O ATOM 30496 C5* A B1419 30.785 -61.607 -47.874 1.00 0.00 C ATOM 30497 C4* A B1419 30.614 -60.088 -48.495 1.00 0.00 C ATOM 30498 O4* A B1419 31.929 -59.514 -48.739 1.00 0.00 O ATOM 30499 C3* A B1419 29.863 -59.865 -49.811 1.00 0.00 C ATOM 30500 O3* A B1419 28.432 -59.321 -49.082 1.00 0.00 O ATOM 30501 C2* A B1419 30.407 -58.511 -50.262 1.00 0.00 C ATOM 30502 O2* A B1419 29.811 -57.458 -49.520 1.00 0.00 O ATOM 30503 C1* A B1419 31.865 -58.600 -49.822 1.00 0.00 C ATOM 30504 N9 A B1419 32.930 -59.119 -51.017 1.00 0.00 N ATOM 30505 C8 A B1419 32.852 -60.249 -51.796 1.00 0.00 C ATOM 30506 N7 A B1419 33.924 -60.487 -52.488 1.00 0.00 N ATOM 30507 C5 A B1419 34.777 -59.451 -52.152 1.00 0.00 C ATOM 30508 C6 A B1419 36.081 -59.127 -52.563 1.00 0.00 C ATOM 30509 N6 A B1419 36.787 -59.859 -53.435 1.00 0.00 N ATOM 30510 N1 A B1419 36.639 -58.020 -52.031 1.00 0.00 N ATOM 30511 C2 A B1419 35.933 -57.297 -51.166 1.00 0.00 C ATOM 30512 N3 A B1419 34.716 -57.498 -50.716 1.00 0.00 N ATOM 30513 C4 A B1419 34.181 -58.611 -51.257 1.00 0.00 C ATOM 30514 P A B1420 26.783 -59.610 -49.959 1.00 0.00 P ATOM 30515 O1P A B1420 26.661 -61.054 -49.666 1.00 0.00 O ATOM 30516 O2P A B1420 27.038 -59.263 -51.379 1.00 0.00 O ATOM 30517 O5* A B1420 25.478 -58.839 -49.443 1.00 0.00 O ATOM 30518 C5* A B1420 24.187 -59.259 -49.920 1.00 0.00 C ATOM 30519 C4* A B1420 23.096 -58.479 -49.214 1.00 0.00 C ATOM 30520 O4* A B1420 23.073 -58.867 -47.808 1.00 0.00 O ATOM 30521 C3* A B1420 23.282 -56.962 -49.171 1.00 0.00 C ATOM 30522 O3* A B1420 22.815 -56.357 -50.336 1.00 0.00 O ATOM 30523 C2* A B1420 22.467 -56.574 -47.938 1.00 0.00 C ATOM 30524 O2* A B1420 21.081 -56.596 -48.225 1.00 0.00 O ATOM 30525 C1* A B1420 22.747 -57.749 -47.004 1.00 0.00 C ATOM 30526 N9 A B1420 23.880 -57.509 -46.066 1.00 0.00 N ATOM 30527 C8 A B1420 25.153 -58.031 -46.098 1.00 0.00 C ATOM 30528 N7 A B1420 25.911 -57.623 -45.126 1.00 0.00 N ATOM 30529 C5 A B1420 25.095 -56.769 -44.399 1.00 0.00 C ATOM 30530 C6 A B1420 25.315 -56.009 -43.238 1.00 0.00 C ATOM 30531 N6 A B1420 26.482 -55.985 -42.578 1.00 0.00 N ATOM 30532 N1 A B1420 24.289 -55.271 -42.777 1.00 0.00 N ATOM 30533 C2 A B1420 23.131 -55.299 -43.438 1.00 0.00 C ATOM 30534 N3 A B1420 22.812 -55.964 -44.525 1.00 0.00 N ATOM 30535 C4 A B1420 23.855 -56.694 -44.964 1.00 0.00 C ATOM 30536 P G B1421 23.582 -55.028 -50.891 1.00 0.00 P ATOM 30537 O1P G B1421 23.191 -54.759 -52.293 1.00 0.00 O ATOM 30538 O2P G B1421 25.034 -55.158 -50.645 1.00 0.00 O ATOM 30539 O5* G B1421 22.967 -53.904 -49.934 1.00 0.00 O ATOM 30540 C5* G B1421 21.547 -53.673 -49.946 1.00 0.00 C ATOM 30541 C4* G B1421 21.176 -52.664 -48.880 1.00 0.00 C ATOM 30542 O4* G B1421 21.399 -53.258 -47.570 1.00 0.00 O ATOM 30543 C3* G B1421 22.016 -51.384 -48.853 1.00 0.00 C ATOM 30544 O3* G B1421 21.539 -50.443 -49.762 1.00 0.00 O ATOM 30545 C2* G B1421 21.860 -50.930 -47.403 1.00 0.00 C ATOM 30546 O2* G B1421 20.588 -50.341 -47.192 1.00 0.00 O ATOM 30547 C1* G B1421 21.857 -52.265 -46.664 1.00 0.00 C ATOM 30548 N9 G B1421 23.199 -52.678 -46.167 1.00 0.00 N ATOM 30549 C8 G B1421 24.044 -53.654 -46.651 1.00 0.00 C ATOM 30550 N7 G B1421 25.167 -53.769 -45.982 1.00 0.00 N ATOM 30551 C5 G B1421 25.057 -52.799 -44.985 1.00 0.00 C ATOM 30552 C6 G B1421 25.961 -52.446 -43.950 1.00 0.00 C ATOM 30553 O6 G B1421 27.064 -52.923 -43.696 1.00 0.00 O ATOM 30554 N1 G B1421 25.453 -51.409 -43.159 1.00 0.00 N ATOM 30555 C2 G B1421 24.232 -50.790 -43.341 1.00 0.00 C ATOM 30556 N2 G B1421 23.929 -49.819 -42.477 1.00 0.00 N ATOM 30557 N3 G B1421 23.384 -51.123 -44.312 1.00 0.00 N ATOM 30558 C4 G B1421 23.860 -52.129 -45.090 1.00 0.00 C ATOM 30559 P G B1422 22.611 -49.459 -50.503 1.00 0.00 P ATOM 30560 O1P G B1422 21.981 -48.805 -51.673 1.00 0.00 O ATOM 30561 O2P G B1422 23.857 -50.206 -50.779 1.00 0.00 O ATOM 30562 O5* G B1422 22.869 -48.378 -49.355 1.00 0.00 O ATOM 30563 C5* G B1422 21.762 -47.597 -48.868 1.00 0.00 C ATOM 30564 C4* G B1422 22.209 -46.731 -47.706 1.00 0.00 C ATOM 30565 O4* G B1422 22.526 -47.592 -46.573 1.00 0.00 O ATOM 30566 C3* G B1422 23.490 -45.929 -47.925 1.00 0.00 C ATOM 30567 O3* G B1422 23.234 -44.725 -48.584 1.00 0.00 O ATOM 30568 C2* G B1422 23.987 -45.722 -46.495 1.00 0.00 C ATOM 30569 O2* G B1422 23.234 -44.719 -45.841 1.00 0.00 O ATOM 30570 C1* G B1422 23.618 -47.053 -45.847 1.00 0.00 C ATOM 30571 N9 G B1422 24.720 -48.053 -45.861 1.00 0.00 N ATOM 30572 C8 G B1422 24.865 -49.180 -46.640 1.00 0.00 C ATOM 30573 N7 G B1422 25.962 -49.857 -46.403 1.00 0.00 N ATOM 30574 C5 G B1422 26.591 -49.125 -45.399 1.00 0.00 C ATOM 30575 C6 G B1422 27.819 -49.360 -44.730 1.00 0.00 C ATOM 30576 O6 G B1422 28.620 -50.277 -44.888 1.00 0.00 O ATOM 30577 N1 G B1422 28.081 -48.366 -43.775 1.00 0.00 N ATOM 30578 C2 G B1422 27.263 -47.289 -43.501 1.00 0.00 C ATOM 30579 N2 G B1422 27.690 -46.451 -42.553 1.00 0.00 N ATOM 30580 N3 G B1422 26.112 -47.068 -44.130 1.00 0.00 N ATOM 30581 C4 G B1422 25.841 -48.021 -45.059 1.00 0.00 C ATOM 30582 P G B1423 24.354 -44.141 -49.614 1.00 0.00 P ATOM 30583 O1P G B1423 23.763 -43.088 -50.471 1.00 0.00 O ATOM 30584 O2P G B1423 25.000 -45.264 -50.328 1.00 0.00 O ATOM 30585 O5* G B1423 25.392 -43.484 -48.589 1.00 0.00 O ATOM 30586 C5* G B1423 24.941 -42.424 -47.724 1.00 0.00 C ATOM 30587 C4* G B1423 26.043 -42.042 -46.756 1.00 0.00 C ATOM 30588 O4* G B1423 26.268 -43.146 -45.834 1.00 0.00 O ATOM 30589 C3* G B1423 27.420 -41.796 -47.377 1.00 0.00 C ATOM 30590 O3* G B1423 27.536 -40.495 -47.864 1.00 0.00 O ATOM 30591 C2* G B1423 28.355 -42.069 -46.204 1.00 0.00 C ATOM 30592 O2* G B1423 28.350 -40.984 -45.292 1.00 0.00 O ATOM 30593 C1* G B1423 27.646 -43.232 -45.513 1.00 0.00 C ATOM 30594 N9 G B1423 28.138 -44.572 -45.942 1.00 0.00 N ATOM 30595 C8 G B1423 27.530 -45.498 -46.762 1.00 0.00 C ATOM 30596 N7 G B1423 28.236 -46.593 -46.942 1.00 0.00 N ATOM 30597 C5 G B1423 29.391 -46.370 -46.189 1.00 0.00 C ATOM 30598 C6 G B1423 30.525 -47.196 -45.994 1.00 0.00 C ATOM 30599 O6 G B1423 30.753 -48.314 -46.453 1.00 0.00 O ATOM 30600 N1 G B1423 31.465 -46.583 -45.156 1.00 0.00 N ATOM 30601 C2 G B1423 31.328 -45.336 -44.580 1.00 0.00 C ATOM 30602 N2 G B1423 32.340 -44.930 -43.813 1.00 0.00 N ATOM 30603 N3 G B1423 30.264 -44.562 -44.764 1.00 0.00 N ATOM 30604 C4 G B1423 29.338 -45.140 -45.576 1.00 0.00 C ATOM 30605 P G B1424 28.437 -40.233 -49.199 1.00 0.00 P ATOM 30606 O1P G B1424 28.147 -38.896 -49.760 1.00 0.00 O ATOM 30607 O2P G B1424 28.280 -41.372 -50.131 1.00 0.00 O ATOM 30608 O5* G B1424 29.911 -40.247 -48.572 1.00 0.00 O ATOM 30609 C5* G B1424 30.252 -39.273 -47.569 1.00 0.00 C ATOM 30610 C4* G B1424 31.642 -39.548 -47.030 1.00 0.00 C ATOM 30611 O4* G B1424 31.617 -40.797 -46.282 1.00 0.00 O ATOM 30612 C3* G B1424 32.732 -39.768 -48.080 1.00 0.00 C ATOM 30613 O3* G B1424 33.258 -38.559 -48.532 1.00 0.00 O ATOM 30614 C2* G B1424 33.752 -40.605 -47.310 1.00 0.00 C ATOM 30615 O2* G B1424 34.493 -39.793 -46.419 1.00 0.00 O ATOM 30616 C1* G B1424 32.844 -41.489 -46.459 1.00 0.00 C ATOM 30617 N9 G B1424 32.544 -42.808 -47.078 1.00 0.00 N ATOM 30618 C8 G B1424 31.378 -43.247 -47.668 1.00 0.00 C ATOM 30619 N7 G B1424 31.442 -44.479 -48.118 1.00 0.00 N ATOM 30620 C5 G B1424 32.739 -44.881 -47.805 1.00 0.00 C ATOM 30621 C6 G B1424 33.394 -46.117 -48.042 1.00 0.00 C ATOM 30622 O6 G B1424 32.959 -47.128 -48.587 1.00 0.00 O ATOM 30623 N1 G B1424 34.710 -46.098 -47.559 1.00 0.00 N ATOM 30624 C2 G B1424 35.314 -45.028 -46.933 1.00 0.00 C ATOM 30625 N2 G B1424 36.577 -45.208 -46.545 1.00 0.00 N ATOM 30626 N3 G B1424 34.697 -43.869 -46.707 1.00 0.00 N ATOM 30627 C4 G B1424 33.419 -43.872 -47.168 1.00 0.00 C ATOM 30628 P G B1425 34.359 -38.289 -50.000 1.00 0.00 P ATOM 30629 O1P G B1425 35.650 -37.780 -49.488 1.00 0.00 O ATOM 30630 O2P G B1425 33.696 -37.452 -51.027 1.00 0.00 O ATOM 30631 O5* G B1425 34.498 -40.006 -50.627 1.00 0.00 O ATOM 30632 C5* G B1425 35.195 -40.869 -51.574 1.00 0.00 C ATOM 30633 C4* G B1425 34.350 -41.321 -52.887 1.00 0.00 C ATOM 30634 O4* G B1425 34.093 -40.053 -53.563 1.00 0.00 O ATOM 30635 C3* G B1425 34.206 -42.363 -54.000 1.00 0.00 C ATOM 30636 O3* G B1425 34.182 -44.170 -53.794 1.00 0.00 O ATOM 30637 C2* G B1425 33.075 -41.777 -54.843 1.00 0.00 C ATOM 30638 O2* G B1425 31.827 -41.987 -54.212 1.00 0.00 O ATOM 30639 C1* G B1425 33.371 -40.285 -54.765 1.00 0.00 C ATOM 30640 N9 G B1425 34.302 -39.660 -56.092 1.00 0.00 N ATOM 30641 C8 G B1425 33.865 -39.095 -57.269 1.00 0.00 C ATOM 30642 N7 G B1425 34.826 -38.597 -58.010 1.00 0.00 N ATOM 30643 C5 G B1425 35.981 -38.850 -57.271 1.00 0.00 C ATOM 30644 C6 G B1425 37.339 -38.547 -57.562 1.00 0.00 C ATOM 30645 O6 G B1425 37.804 -37.974 -58.542 1.00 0.00 O ATOM 30646 N1 G B1425 38.188 -38.983 -56.541 1.00 0.00 N ATOM 30647 C2 G B1425 37.784 -39.632 -55.389 1.00 0.00 C ATOM 30648 N2 G B1425 38.755 -39.971 -54.535 1.00 0.00 N ATOM 30649 N3 G B1425 36.513 -39.918 -55.119 1.00 0.00 N ATOM 30650 C4 G B1425 35.674 -39.501 -56.103 1.00 0.00 C ATOM 30651 P G B1426 35.038 -46.019 -53.997 1.00 0.00 P ATOM 30652 O1P G B1426 34.934 -46.649 -52.661 1.00 0.00 O ATOM 30653 O2P G B1426 36.405 -45.937 -54.561 1.00 0.00 O ATOM 30654 O5* G B1426 34.335 -47.462 -55.081 1.00 0.00 O ATOM 30655 C5* G B1426 34.964 -48.834 -54.868 1.00 0.00 C ATOM 30656 C4* G B1426 35.976 -49.402 -56.047 1.00 0.00 C ATOM 30657 O4* G B1426 36.381 -48.240 -56.824 1.00 0.00 O ATOM 30658 C3* G B1426 37.187 -50.335 -56.123 1.00 0.00 C ATOM 30659 O3* G B1426 37.461 -51.752 -55.442 1.00 0.00 O ATOM 30660 C2* G B1426 37.696 -50.081 -57.544 1.00 0.00 C ATOM 30661 O2* G B1426 36.876 -50.744 -58.493 1.00 0.00 O ATOM 30662 C1* G B1426 37.444 -48.589 -57.699 1.00 0.00 C ATOM 30663 N9 G B1426 38.793 -47.595 -57.333 1.00 0.00 N ATOM 30664 C8 G B1426 38.951 -46.692 -56.309 1.00 0.00 C ATOM 30665 N7 G B1426 40.086 -46.028 -56.355 1.00 0.00 N ATOM 30666 C5 G B1426 40.717 -46.530 -57.492 1.00 0.00 C ATOM 30667 C6 G B1426 41.977 -46.206 -58.059 1.00 0.00 C ATOM 30668 O6 G B1426 42.806 -45.385 -57.670 1.00 0.00 O ATOM 30669 N1 G B1426 42.229 -46.958 -59.212 1.00 0.00 N ATOM 30670 C2 G B1426 41.379 -47.904 -59.746 1.00 0.00 C ATOM 30671 N2 G B1426 41.805 -48.516 -60.856 1.00 0.00 N ATOM 30672 N3 G B1426 40.198 -48.210 -59.216 1.00 0.00 N ATOM 30673 C4 G B1426 39.934 -47.490 -58.095 1.00 0.00 C ATOM 30674 P A B1427 37.337 -53.456 -56.256 1.00 0.00 P ATOM 30675 O1P A B1427 38.153 -53.508 -57.499 1.00 0.00 O ATOM 30676 O2P A B1427 35.894 -53.747 -56.423 1.00 0.00 O ATOM 30677 O5* A B1427 37.855 -54.772 -55.002 1.00 0.00 O ATOM 30678 C5* A B1427 38.085 -55.818 -53.903 1.00 0.00 C ATOM 30679 C4* A B1427 39.317 -55.174 -53.061 1.00 0.00 C ATOM 30680 O4* A B1427 39.207 -53.801 -53.538 1.00 0.00 O ATOM 30681 C3* A B1427 40.136 -55.050 -51.777 1.00 0.00 C ATOM 30682 O3* A B1427 41.463 -55.937 -51.190 1.00 0.00 O ATOM 30683 C2* A B1427 41.113 -53.931 -52.123 1.00 0.00 C ATOM 30684 O2* A B1427 42.143 -54.406 -52.974 1.00 0.00 O ATOM 30685 C1* A B1427 40.234 -53.009 -52.969 1.00 0.00 C ATOM 30686 N9 A B1427 39.497 -51.705 -52.093 1.00 0.00 N ATOM 30687 C8 A B1427 38.409 -50.940 -52.458 1.00 0.00 C ATOM 30688 N7 A B1427 38.238 -49.884 -51.731 1.00 0.00 N ATOM 30689 C5 A B1427 39.275 -49.936 -50.808 1.00 0.00 C ATOM 30690 C6 A B1427 39.647 -49.093 -49.754 1.00 0.00 C ATOM 30691 N6 A B1427 38.982 -47.977 -49.430 1.00 0.00 N ATOM 30692 N1 A B1427 40.734 -49.434 -49.037 1.00 0.00 N ATOM 30693 C2 A B1427 41.390 -50.550 -49.361 1.00 0.00 C ATOM 30694 N3 A B1427 41.137 -51.414 -50.322 1.00 0.00 N ATOM 30695 C4 A B1427 40.043 -51.046 -51.025 1.00 0.00 C ATOM 30696 P C B1428 42.006 -57.514 -50.248 1.00 0.00 P ATOM 30697 O1P C B1428 42.363 -58.475 -51.314 1.00 0.00 O ATOM 30698 O2P C B1428 40.920 -57.934 -49.335 1.00 0.00 O ATOM 30699 O5* C B1428 43.663 -57.372 -49.247 1.00 0.00 O ATOM 30700 C5* C B1428 45.142 -57.801 -48.791 1.00 0.00 C ATOM 30701 C4* C B1428 45.761 -57.931 -47.174 1.00 0.00 C ATOM 30702 O4* C B1428 44.697 -58.804 -46.694 1.00 0.00 O ATOM 30703 C3* C B1428 46.994 -58.397 -46.394 1.00 0.00 C ATOM 30704 O3* C B1428 48.431 -57.552 -45.954 1.00 0.00 O ATOM 30705 C2* C B1428 46.401 -58.755 -45.036 1.00 0.00 C ATOM 30706 O2* C B1428 46.117 -57.587 -44.281 1.00 0.00 O ATOM 30707 C1* C B1428 45.055 -59.362 -45.442 1.00 0.00 C ATOM 30708 N1 C B1428 45.054 -61.074 -45.591 1.00 0.00 N ATOM 30709 C2 C B1428 45.058 -61.824 -44.421 1.00 0.00 C ATOM 30710 O2 C B1428 45.116 -61.234 -43.338 1.00 0.00 O ATOM 30711 N3 C B1428 44.991 -63.177 -44.511 1.00 0.00 N ATOM 30712 C4 C B1428 44.928 -63.777 -45.709 1.00 0.00 C ATOM 30713 N4 C B1428 44.864 -65.100 -45.745 1.00 0.00 N ATOM 30714 C5 C B1428 44.922 -63.021 -46.925 1.00 0.00 C ATOM 30715 C6 C B1428 44.989 -61.673 -46.815 1.00 0.00 C ATOM 30716 P G B1429 49.191 -55.823 -45.454 1.00 0.00 P ATOM 30717 O1P G B1429 50.125 -55.940 -46.594 1.00 0.00 O ATOM 30718 O2P G B1429 49.683 -55.049 -44.294 1.00 0.00 O ATOM 30719 O5* G B1429 47.795 -55.217 -45.956 1.00 0.00 O ATOM 30720 C5* G B1429 46.582 -55.942 -45.687 1.00 0.00 C ATOM 30721 C4* G B1429 45.384 -55.133 -46.137 1.00 0.00 C ATOM 30722 O4* G B1429 45.261 -53.963 -45.282 1.00 0.00 O ATOM 30723 C3* G B1429 45.461 -54.554 -47.548 1.00 0.00 C ATOM 30724 O3* G B1429 45.062 -55.482 -48.508 1.00 0.00 O ATOM 30725 C2* G B1429 44.518 -53.358 -47.457 1.00 0.00 C ATOM 30726 O2* G B1429 43.165 -53.781 -47.490 1.00 0.00 O ATOM 30727 C1* G B1429 44.790 -52.860 -46.043 1.00 0.00 C ATOM 30728 N9 G B1429 45.815 -51.780 -45.974 1.00 0.00 N ATOM 30729 C8 G B1429 47.122 -51.845 -45.538 1.00 0.00 C ATOM 30730 N7 G B1429 47.768 -50.709 -45.608 1.00 0.00 N ATOM 30731 C5 G B1429 46.823 -49.822 -46.130 1.00 0.00 C ATOM 30732 C6 G B1429 46.935 -48.442 -46.433 1.00 0.00 C ATOM 30733 O6 G B1429 47.905 -47.703 -46.301 1.00 0.00 O ATOM 30734 N1 G B1429 45.733 -47.933 -46.943 1.00 0.00 N ATOM 30735 C2 G B1429 44.576 -48.663 -47.140 1.00 0.00 C ATOM 30736 N2 G B1429 43.537 -47.992 -47.639 1.00 0.00 N ATOM 30737 N3 G B1429 44.475 -49.959 -46.855 1.00 0.00 N ATOM 30738 C4 G B1429 45.631 -50.468 -46.354 1.00 0.00 C ATOM 30739 P C B1430 45.541 -55.311 -50.464 1.00 0.00 P ATOM 30740 O1P C B1430 45.217 -56.543 -51.218 1.00 0.00 O ATOM 30741 O2P C B1430 46.980 -55.042 -50.257 1.00 0.00 O ATOM 30742 O5* C B1430 44.849 -54.051 -51.169 1.00 0.00 O ATOM 30743 C5* C B1430 43.425 -54.067 -51.387 1.00 0.00 C ATOM 30744 C4* C B1430 42.970 -52.735 -51.946 1.00 0.00 C ATOM 30745 O4* C B1430 43.138 -51.711 -50.921 1.00 0.00 O ATOM 30746 C3* C B1430 43.778 -52.199 -53.132 1.00 0.00 C ATOM 30747 O3* C B1430 43.332 -52.741 -54.335 1.00 0.00 O ATOM 30748 C2* C B1430 43.533 -50.697 -53.034 1.00 0.00 C ATOM 30749 O2* C B1430 42.239 -50.366 -53.506 1.00 0.00 O ATOM 30750 C1* C B1430 43.521 -50.486 -51.523 1.00 0.00 C ATOM 30751 N1 C B1430 44.843 -50.090 -50.963 1.00 0.00 N ATOM 30752 C2 C B1430 45.284 -48.791 -51.192 1.00 0.00 C ATOM 30753 O2 C B1430 44.566 -48.021 -51.840 1.00 0.00 O ATOM 30754 N3 C B1430 46.488 -48.411 -50.692 1.00 0.00 N ATOM 30755 C4 C B1430 47.239 -49.271 -49.991 1.00 0.00 C ATOM 30756 N4 C B1430 48.403 -48.854 -49.522 1.00 0.00 N ATOM 30757 C5 C B1430 46.802 -50.615 -49.743 1.00 0.00 C ATOM 30758 C6 C B1430 45.599 -50.975 -50.255 1.00 0.00 C ATOM 30759 P A B1431 44.419 -53.016 -55.525 1.00 0.00 P ATOM 30760 O1P A B1431 43.838 -53.909 -56.552 1.00 0.00 O ATOM 30761 O2P A B1431 45.697 -53.463 -54.928 1.00 0.00 O ATOM 30762 O5* A B1431 44.589 -51.543 -56.123 1.00 0.00 O ATOM 30763 C5* A B1431 43.438 -50.875 -56.674 1.00 0.00 C ATOM 30764 C4* A B1431 43.800 -49.456 -57.064 1.00 0.00 C ATOM 30765 O4* A B1431 44.075 -48.691 -55.856 1.00 0.00 O ATOM 30766 C3* A B1431 45.074 -49.297 -57.898 1.00 0.00 C ATOM 30767 O3* A B1431 44.824 -49.493 -59.252 1.00 0.00 O ATOM 30768 C2* A B1431 45.488 -47.863 -57.578 1.00 0.00 C ATOM 30769 O2* A B1431 44.673 -46.936 -58.276 1.00 0.00 O ATOM 30770 C1* A B1431 45.113 -47.755 -56.102 1.00 0.00 C ATOM 30771 N9 A B1431 46.237 -48.062 -55.175 1.00 0.00 N ATOM 30772 C8 A B1431 46.448 -49.181 -54.406 1.00 0.00 C ATOM 30773 N7 A B1431 47.534 -49.140 -53.698 1.00 0.00 N ATOM 30774 C5 A B1431 48.094 -47.910 -54.015 1.00 0.00 C ATOM 30775 C6 A B1431 49.266 -47.266 -53.590 1.00 0.00 C ATOM 30776 N6 A B1431 50.129 -47.800 -52.714 1.00 0.00 N ATOM 30777 N1 A B1431 49.525 -46.049 -54.106 1.00 0.00 N ATOM 30778 C2 A B1431 48.664 -45.524 -54.976 1.00 0.00 C ATOM 30779 N3 A B1431 47.543 -46.030 -55.443 1.00 0.00 N ATOM 30780 C4 A B1431 47.311 -47.248 -54.916 1.00 0.00 C ATOM 30781 P G B1432 45.987 -50.179 -60.172 1.00 0.00 P ATOM 30782 O1P G B1432 45.418 -50.636 -61.460 1.00 0.00 O ATOM 30783 O2P G B1432 46.697 -51.208 -59.382 1.00 0.00 O ATOM 30784 O5* G B1432 46.948 -48.924 -60.420 1.00 0.00 O ATOM 30785 C5* G B1432 46.427 -47.768 -61.097 1.00 0.00 C ATOM 30786 C4* G B1432 47.465 -46.663 -61.113 1.00 0.00 C ATOM 30787 O4* G B1432 47.665 -46.186 -59.749 1.00 0.00 O ATOM 30788 C3* G B1432 48.867 -47.073 -61.567 1.00 0.00 C ATOM 30789 O3* G B1432 48.980 -47.053 -62.955 1.00 0.00 O ATOM 30790 C2* G B1432 49.743 -46.020 -60.891 1.00 0.00 C ATOM 30791 O2* G B1432 49.663 -44.782 -61.579 1.00 0.00 O ATOM 30792 C1* G B1432 49.026 -45.835 -59.558 1.00 0.00 C ATOM 30793 N9 G B1432 49.572 -46.685 -58.461 1.00 0.00 N ATOM 30794 C8 G B1432 49.033 -47.814 -57.887 1.00 0.00 C ATOM 30795 N7 G B1432 49.772 -48.333 -56.938 1.00 0.00 N ATOM 30796 C5 G B1432 50.877 -47.485 -56.875 1.00 0.00 C ATOM 30797 C6 G B1432 52.020 -47.531 -56.035 1.00 0.00 C ATOM 30798 O6 G B1432 52.297 -48.344 -55.159 1.00 0.00 O ATOM 30799 N1 G B1432 52.896 -46.476 -56.308 1.00 0.00 N ATOM 30800 C2 G B1432 52.701 -45.500 -57.267 1.00 0.00 C ATOM 30801 N2 G B1432 53.659 -44.578 -57.373 1.00 0.00 N ATOM 30802 N3 G B1432 51.629 -45.460 -58.056 1.00 0.00 N ATOM 30803 C4 G B1432 50.762 -46.478 -57.803 1.00 0.00 C ATOM 30804 P A B1433 50.005 -46.261 -64.218 1.00 0.00 P ATOM 30805 O1P A B1433 51.241 -45.606 -63.734 1.00 0.00 O ATOM 30806 O2P A B1433 49.167 -45.454 -65.136 1.00 0.00 O ATOM 30807 O5* A B1433 50.283 -47.948 -64.840 1.00 0.00 O ATOM 30808 C5* A B1433 49.327 -49.010 -65.098 1.00 0.00 C ATOM 30809 C4* A B1433 49.458 -50.399 -64.261 1.00 0.00 C ATOM 30810 O4* A B1433 50.333 -50.535 -63.107 1.00 0.00 O ATOM 30811 C3* A B1433 48.332 -51.402 -63.990 1.00 0.00 C ATOM 30812 O3* A B1433 47.647 -51.764 -65.334 1.00 0.00 O ATOM 30813 C2* A B1433 49.084 -52.544 -63.311 1.00 0.00 C ATOM 30814 O2* A B1433 49.807 -53.308 -64.264 1.00 0.00 O ATOM 30815 C1* A B1433 50.116 -51.783 -62.477 1.00 0.00 C ATOM 30816 N9 A B1433 49.660 -51.499 -60.885 1.00 0.00 N ATOM 30817 C8 A B1433 49.667 -50.308 -60.192 1.00 0.00 C ATOM 30818 N7 A B1433 49.401 -50.434 -58.928 1.00 0.00 N ATOM 30819 C5 A B1433 49.211 -51.798 -58.760 1.00 0.00 C ATOM 30820 C6 A B1433 48.893 -52.577 -57.636 1.00 0.00 C ATOM 30821 N6 A B1433 48.715 -52.069 -56.409 1.00 0.00 N ATOM 30822 N1 A B1433 48.773 -53.904 -57.818 1.00 0.00 N ATOM 30823 C2 A B1433 48.955 -54.405 -59.036 1.00 0.00 C ATOM 30824 N3 A B1433 49.248 -53.780 -60.157 1.00 0.00 N ATOM 30825 C4 A B1433 49.364 -52.454 -59.949 1.00 0.00 C ATOM 30826 P A B1434 46.022 -52.596 -65.352 1.00 0.00 P ATOM 30827 O1P A B1434 45.173 -52.060 -66.441 1.00 0.00 O ATOM 30828 O2P A B1434 45.394 -52.652 -64.014 1.00 0.00 O ATOM 30829 O5* A B1434 46.755 -54.182 -65.878 1.00 0.00 O ATOM 30830 C5* A B1434 46.675 -55.357 -66.718 1.00 0.00 C ATOM 30831 C4* A B1434 47.334 -56.671 -66.021 1.00 0.00 C ATOM 30832 O4* A B1434 47.772 -56.451 -64.648 1.00 0.00 O ATOM 30833 C3* A B1434 46.705 -58.063 -65.990 1.00 0.00 C ATOM 30834 O3* A B1434 46.228 -58.676 -67.352 1.00 0.00 O ATOM 30835 C2* A B1434 47.601 -58.794 -64.997 1.00 0.00 C ATOM 30836 O2* A B1434 48.838 -59.145 -65.597 1.00 0.00 O ATOM 30837 C1* A B1434 47.900 -57.697 -63.984 1.00 0.00 C ATOM 30838 N9 A B1434 46.887 -57.688 -62.639 1.00 0.00 N ATOM 30839 C8 A B1434 46.868 -56.799 -61.592 1.00 0.00 C ATOM 30840 N7 A B1434 45.858 -56.952 -60.787 1.00 0.00 N ATOM 30841 C5 A B1434 45.154 -58.016 -61.330 1.00 0.00 C ATOM 30842 C6 A B1434 43.971 -58.670 -60.943 1.00 0.00 C ATOM 30843 N6 A B1434 43.266 -58.329 -59.859 1.00 0.00 N ATOM 30844 N1 A B1434 43.551 -59.688 -61.711 1.00 0.00 N ATOM 30845 C2 A B1434 44.262 -60.021 -62.788 1.00 0.00 C ATOM 30846 N3 A B1434 45.370 -59.488 -63.248 1.00 0.00 N ATOM 30847 C4 A B1434 45.773 -58.468 -62.463 1.00 0.00 C ATOM 30848 P G B1435 47.109 -60.099 -68.119 1.00 0.00 P ATOM 30849 O1P G B1435 46.392 -60.974 -69.071 1.00 0.00 O ATOM 30850 O2P G B1435 47.783 -60.784 -66.994 1.00 0.00 O ATOM 30851 O5* G B1435 48.160 -59.188 -68.907 1.00 0.00 O ATOM 30852 C5* G B1435 47.808 -58.677 -70.206 1.00 0.00 C ATOM 30853 C4* G B1435 48.891 -57.745 -70.709 1.00 0.00 C ATOM 30854 O4* G B1435 48.908 -56.550 -69.878 1.00 0.00 O ATOM 30855 C3* G B1435 50.323 -58.278 -70.618 1.00 0.00 C ATOM 30856 O3* G B1435 50.643 -59.073 -71.716 1.00 0.00 O ATOM 30857 C2* G B1435 51.139 -56.986 -70.567 1.00 0.00 C ATOM 30858 O2* G B1435 51.228 -56.398 -71.854 1.00 0.00 O ATOM 30859 C1* G B1435 50.240 -56.086 -69.727 1.00 0.00 C ATOM 30860 N9 G B1435 50.571 -56.101 -68.276 1.00 0.00 N ATOM 30861 C8 G B1435 49.894 -56.700 -67.235 1.00 0.00 C ATOM 30862 N7 G B1435 50.454 -56.522 -66.062 1.00 0.00 N ATOM 30863 C5 G B1435 51.581 -55.749 -66.345 1.00 0.00 C ATOM 30864 C6 G B1435 52.579 -55.239 -65.478 1.00 0.00 C ATOM 30865 O6 G B1435 52.680 -55.364 -64.261 1.00 0.00 O ATOM 30866 N1 G B1435 53.542 -54.504 -66.184 1.00 0.00 N ATOM 30867 C2 G B1435 53.540 -54.293 -67.550 1.00 0.00 C ATOM 30868 N2 G B1435 54.550 -53.565 -68.033 1.00 0.00 N ATOM 30869 N3 G B1435 52.604 -54.775 -68.364 1.00 0.00 N ATOM 30870 C4 G B1435 51.659 -55.488 -67.694 1.00 0.00 C ATOM 30871 P G B1436 51.650 -60.339 -71.498 1.00 0.00 P ATOM 30872 O1P G B1436 51.578 -61.258 -72.655 1.00 0.00 O ATOM 30873 O2P G B1436 51.397 -60.950 -70.173 1.00 0.00 O ATOM 30874 O5* G B1436 53.068 -59.595 -71.486 1.00 0.00 O ATOM 30875 C5* G B1436 53.478 -58.854 -72.652 1.00 0.00 C ATOM 30876 C4* G B1436 54.781 -58.135 -72.378 1.00 0.00 C ATOM 30877 O4* G B1436 54.543 -57.091 -71.391 1.00 0.00 O ATOM 30878 C3* G B1436 55.893 -58.983 -71.757 1.00 0.00 C ATOM 30879 O3* G B1436 56.604 -59.684 -72.728 1.00 0.00 O ATOM 30880 C2* G B1436 56.741 -57.929 -71.050 1.00 0.00 C ATOM 30881 O2* G B1436 57.534 -57.212 -71.981 1.00 0.00 O ATOM 30882 C1* G B1436 55.674 -56.964 -70.542 1.00 0.00 C ATOM 30883 N9 G B1436 55.235 -57.238 -69.148 1.00 0.00 N ATOM 30884 C8 G B1436 54.059 -57.800 -68.698 1.00 0.00 C ATOM 30885 N7 G B1436 53.981 -57.904 -67.392 1.00 0.00 N ATOM 30886 C5 G B1436 55.191 -57.374 -66.945 1.00 0.00 C ATOM 30887 C6 G B1436 55.686 -57.216 -65.627 1.00 0.00 C ATOM 30888 O6 G B1436 55.150 -57.517 -64.561 1.00 0.00 O ATOM 30889 N1 G B1436 56.962 -56.635 -65.624 1.00 0.00 N ATOM 30890 C2 G B1436 57.665 -56.254 -66.752 1.00 0.00 C ATOM 30891 N2 G B1436 58.870 -55.715 -66.537 1.00 0.00 N ATOM 30892 N3 G B1436 57.200 -56.404 -67.988 1.00 0.00 N ATOM 30893 C4 G B1436 55.961 -56.965 -68.008 1.00 0.00 C ATOM 30894 P C B1437 57.194 -61.161 -72.356 1.00 0.00 P ATOM 30895 O1P C B1437 57.581 -61.884 -73.589 1.00 0.00 O ATOM 30896 O2P C B1437 56.236 -61.864 -71.473 1.00 0.00 O ATOM 30897 O5* C B1437 58.501 -60.761 -71.527 1.00 0.00 O ATOM 30898 C5* C B1437 59.529 -59.989 -72.174 1.00 0.00 C ATOM 30899 C4* C B1437 60.610 -59.623 -71.179 1.00 0.00 C ATOM 30900 O4* C B1437 60.056 -58.687 -70.207 1.00 0.00 O ATOM 30901 C3* C B1437 61.141 -60.770 -70.320 1.00 0.00 C ATOM 30902 O3* C B1437 62.141 -61.482 -70.979 1.00 0.00 O ATOM 30903 C2* C B1437 61.660 -60.034 -69.086 1.00 0.00 C ATOM 30904 O2* C B1437 62.899 -59.400 -69.361 1.00 0.00 O ATOM 30905 C1* C B1437 60.624 -58.928 -68.929 1.00 0.00 C ATOM 30906 N1 C B1437 59.515 -59.274 -67.993 1.00 0.00 N ATOM 30907 C2 C B1437 59.795 -59.272 -66.629 1.00 0.00 C ATOM 30908 O2 C B1437 60.936 -58.986 -66.255 1.00 0.00 O ATOM 30909 N3 C B1437 58.800 -59.586 -65.761 1.00 0.00 N ATOM 30910 C4 C B1437 57.575 -59.891 -66.205 1.00 0.00 C ATOM 30911 N4 C B1437 56.638 -60.188 -65.319 1.00 0.00 N ATOM 30912 C5 C B1437 57.267 -59.898 -67.604 1.00 0.00 C ATOM 30913 C6 C B1437 58.276 -59.583 -68.457 1.00 0.00 C ATOM 30914 P U B1438 62.758 -63.018 -70.150 1.00 0.00 P ATOM 30915 O1P U B1438 64.032 -62.729 -69.454 1.00 0.00 O ATOM 30916 O2P U B1438 62.789 -64.153 -71.104 1.00 0.00 O ATOM 30917 O5* U B1438 61.377 -63.262 -68.967 1.00 0.00 O ATOM 30918 C5* U B1438 60.736 -64.392 -68.303 1.00 0.00 C ATOM 30919 C4* U B1438 59.127 -64.377 -68.441 1.00 0.00 C ATOM 30920 O4* U B1438 58.473 -63.591 -69.476 1.00 0.00 O ATOM 30921 C3* U B1438 58.014 -65.277 -67.900 1.00 0.00 C ATOM 30922 O3* U B1438 58.097 -66.507 -67.043 1.00 0.00 O ATOM 30923 C2* U B1438 56.796 -64.356 -67.973 1.00 0.00 C ATOM 30924 O2* U B1438 56.822 -63.409 -66.916 1.00 0.00 O ATOM 30925 C1* U B1438 57.073 -63.589 -69.264 1.00 0.00 C ATOM 30926 N1 U B1438 56.324 -64.231 -70.642 1.00 0.00 N ATOM 30927 C2 U B1438 54.962 -64.066 -70.746 1.00 0.00 C ATOM 30928 O2 U B1438 54.282 -63.566 -69.863 1.00 0.00 O ATOM 30929 N3 U B1438 54.401 -64.502 -71.933 1.00 0.00 N ATOM 30930 C4 U B1438 55.073 -65.077 -72.990 1.00 0.00 C ATOM 30931 O4 U B1438 54.463 -65.432 -74.001 1.00 0.00 O ATOM 30932 C5 U B1438 56.497 -65.211 -72.782 1.00 0.00 C ATOM 30933 C6 U B1438 57.064 -64.793 -71.641 1.00 0.00 C ATOM 30934 P A B1439 56.666 -66.920 -65.987 1.00 0.00 P ATOM 30935 O1P A B1439 56.610 -66.028 -64.808 1.00 0.00 O ATOM 30936 O2P A B1439 56.545 -68.367 -65.706 1.00 0.00 O ATOM 30937 O5* A B1439 55.557 -66.414 -67.313 1.00 0.00 O ATOM 30938 C5* A B1439 54.400 -66.788 -68.000 1.00 0.00 C ATOM 30939 C4* A B1439 54.560 -68.006 -69.082 1.00 0.00 C ATOM 30940 O4* A B1439 53.276 -68.093 -69.759 1.00 0.00 O ATOM 30941 C3* A B1439 55.581 -68.086 -70.216 1.00 0.00 C ATOM 30942 O3* A B1439 57.143 -68.265 -69.841 1.00 0.00 O ATOM 30943 C2* A B1439 54.910 -69.069 -71.178 1.00 0.00 C ATOM 30944 O2* A B1439 55.030 -70.399 -70.705 1.00 0.00 O ATOM 30945 C1* A B1439 53.439 -68.677 -71.040 1.00 0.00 C ATOM 30946 N9 A B1439 52.890 -67.573 -72.204 1.00 0.00 N ATOM 30947 C8 A B1439 52.876 -67.713 -73.573 1.00 0.00 C ATOM 30948 N7 A B1439 52.250 -66.759 -74.191 1.00 0.00 N ATOM 30949 C5 A B1439 51.811 -65.925 -73.172 1.00 0.00 C ATOM 30950 C6 A B1439 51.080 -64.729 -73.172 1.00 0.00 C ATOM 30951 N6 A B1439 50.635 -64.135 -74.291 1.00 0.00 N ATOM 30952 N1 A B1439 50.816 -64.158 -71.982 1.00 0.00 N ATOM 30953 C2 A B1439 51.256 -64.758 -70.878 1.00 0.00 C ATOM 30954 N3 A B1439 51.948 -65.870 -70.751 1.00 0.00 N ATOM 30955 C4 A B1439 52.199 -66.418 -71.956 1.00 0.00 C ATOM 30956 P U B1440 58.246 -69.368 -70.947 1.00 0.00 P ATOM 30957 O1P U B1440 58.718 -68.688 -72.173 1.00 0.00 O ATOM 30958 O2P U B1440 57.235 -70.429 -71.146 1.00 0.00 O ATOM 30959 O5* U B1440 59.499 -69.957 -70.141 1.00 0.00 O ATOM 30960 C5* U B1440 60.658 -70.390 -70.875 1.00 0.00 C ATOM 30961 C4* U B1440 61.761 -70.790 -69.913 1.00 0.00 C ATOM 30962 O4* U B1440 62.236 -69.599 -69.222 1.00 0.00 O ATOM 30963 C3* U B1440 61.348 -71.733 -68.783 1.00 0.00 C ATOM 30964 O3* U B1440 61.370 -73.065 -69.196 1.00 0.00 O ATOM 30965 C2* U B1440 62.398 -71.430 -67.718 1.00 0.00 C ATOM 30966 O2* U B1440 63.637 -72.039 -68.043 1.00 0.00 O ATOM 30967 C1* U B1440 62.584 -69.927 -67.885 1.00 0.00 C ATOM 30968 N1 U B1440 61.732 -69.113 -66.974 1.00 0.00 N ATOM 30969 C2 U B1440 62.098 -69.064 -65.651 1.00 0.00 C ATOM 30970 O2 U B1440 63.072 -69.653 -65.211 1.00 0.00 O ATOM 30971 N3 U B1440 61.284 -68.301 -64.838 1.00 0.00 N ATOM 30972 C4 U B1440 60.161 -67.599 -65.228 1.00 0.00 C ATOM 30973 O4 U B1440 59.513 -66.947 -64.407 1.00 0.00 O ATOM 30974 C5 U B1440 59.858 -67.708 -66.635 1.00 0.00 C ATOM 30975 C6 U B1440 60.633 -68.447 -67.451 1.00 0.00 C ATOM 30976 P G B1441 60.271 -74.097 -68.569 1.00 0.00 P ATOM 30977 O1P G B1441 60.209 -75.333 -69.378 1.00 0.00 O ATOM 30978 O2P G B1441 58.986 -73.391 -68.377 1.00 0.00 O ATOM 30979 O5* G B1441 60.934 -74.414 -67.147 1.00 0.00 O ATOM 30980 C5* G B1441 62.237 -75.021 -67.104 1.00 0.00 C ATOM 30981 C4* G B1441 62.722 -75.116 -65.672 1.00 0.00 C ATOM 30982 O4* G B1441 62.969 -73.770 -65.170 1.00 0.00 O ATOM 30983 C3* G B1441 61.727 -75.704 -64.670 1.00 0.00 C ATOM 30984 O3* G B1441 61.769 -77.095 -64.666 1.00 0.00 O ATOM 30985 C2* G B1441 62.201 -75.093 -63.353 1.00 0.00 C ATOM 30986 O2* G B1441 63.367 -75.751 -62.887 1.00 0.00 O ATOM 30987 C1* G B1441 62.627 -73.698 -63.797 1.00 0.00 C ATOM 30988 N9 G B1441 61.559 -72.669 -63.640 1.00 0.00 N ATOM 30989 C8 G B1441 60.785 -72.068 -64.607 1.00 0.00 C ATOM 30990 N7 G B1441 59.927 -71.195 -64.134 1.00 0.00 N ATOM 30991 C5 G B1441 60.149 -71.222 -62.757 1.00 0.00 C ATOM 30992 C6 G B1441 59.520 -70.493 -61.716 1.00 0.00 C ATOM 30993 O6 G B1441 58.626 -69.656 -61.794 1.00 0.00 O ATOM 30994 N1 G B1441 60.051 -70.828 -60.464 1.00 0.00 N ATOM 30995 C2 G B1441 61.058 -71.750 -60.246 1.00 0.00 C ATOM 30996 N2 G B1441 61.424 -71.930 -58.976 1.00 0.00 N ATOM 30997 N3 G B1441 61.646 -72.434 -61.225 1.00 0.00 N ATOM 30998 C4 G B1441 61.141 -72.120 -62.447 1.00 0.00 C ATOM 30999 P U B1442 60.390 -77.925 -64.389 1.00 0.00 P ATOM 31000 O1P U B1442 60.556 -79.341 -64.783 1.00 0.00 O ATOM 31001 O2P U B1442 59.255 -77.211 -65.018 1.00 0.00 O ATOM 31002 O5* U B1442 60.285 -77.812 -62.797 1.00 0.00 O ATOM 31003 C5* U B1442 61.342 -78.365 -61.990 1.00 0.00 C ATOM 31004 C4* U B1442 61.102 -78.037 -60.528 1.00 0.00 C ATOM 31005 O4* U B1442 61.256 -76.601 -60.336 1.00 0.00 O ATOM 31006 C3* U B1442 59.697 -78.331 -60.003 1.00 0.00 C ATOM 31007 O3* U B1442 59.562 -79.663 -59.618 1.00 0.00 O ATOM 31008 C2* U B1442 59.588 -77.365 -58.825 1.00 0.00 C ATOM 31009 O2* U B1442 60.321 -77.845 -57.711 1.00 0.00 O ATOM 31010 C1* U B1442 60.335 -76.146 -59.356 1.00 0.00 C ATOM 31011 N1 U B1442 59.451 -75.132 -59.996 1.00 0.00 N ATOM 31012 C2 U B1442 58.677 -74.362 -59.159 1.00 0.00 C ATOM 31013 O2 U B1442 58.692 -74.480 -57.945 1.00 0.00 O ATOM 31014 N3 U B1442 57.870 -73.435 -59.786 1.00 0.00 N ATOM 31015 C4 U B1442 57.774 -73.217 -61.146 1.00 0.00 C ATOM 31016 O4 U B1442 57.011 -72.356 -61.593 1.00 0.00 O ATOM 31017 C5 U B1442 58.621 -74.074 -61.941 1.00 0.00 C ATOM 31018 C6 U B1442 59.416 -74.986 -61.356 1.00 0.00 C ATOM 31019 P U B1443 58.119 -80.398 -59.826 1.00 0.00 P ATOM 31020 O1P U B1443 58.269 -81.867 -59.714 1.00 0.00 O ATOM 31021 O2P U B1443 57.492 -79.909 -61.074 1.00 0.00 O ATOM 31022 O5* U B1443 57.313 -79.838 -58.561 1.00 0.00 O ATOM 31023 C5* U B1443 57.808 -80.123 -57.238 1.00 0.00 C ATOM 31024 C4* U B1443 56.968 -79.397 -56.205 1.00 0.00 C ATOM 31025 O4* U B1443 57.191 -77.964 -56.339 1.00 0.00 O ATOM 31026 C3* U B1443 55.455 -79.548 -56.350 1.00 0.00 C ATOM 31027 O3* U B1443 54.999 -80.719 -55.748 1.00 0.00 O ATOM 31028 C2* U B1443 54.939 -78.289 -55.657 1.00 0.00 C ATOM 31029 O2* U B1443 55.018 -78.421 -54.249 1.00 0.00 O ATOM 31030 C1* U B1443 55.989 -77.262 -56.067 1.00 0.00 C ATOM 31031 N1 U B1443 55.624 -76.483 -57.284 1.00 0.00 N ATOM 31032 C2 U B1443 54.657 -75.521 -57.145 1.00 0.00 C ATOM 31033 O2 U B1443 54.102 -75.287 -56.082 1.00 0.00 O ATOM 31034 N3 U B1443 54.346 -74.820 -58.293 1.00 0.00 N ATOM 31035 C4 U B1443 54.906 -75.001 -59.541 1.00 0.00 C ATOM 31036 O4 U B1443 54.548 -74.314 -60.496 1.00 0.00 O ATOM 31037 C5 U B1443 55.914 -76.037 -59.589 1.00 0.00 C ATOM 31038 C6 U B1443 56.236 -76.731 -58.485 1.00 0.00 C ATOM 31039 P G B1444 53.729 -81.502 -56.414 1.00 0.00 P ATOM 31040 O1P G B1444 53.631 -82.876 -55.869 1.00 0.00 O ATOM 31041 O2P G B1444 53.807 -81.397 -57.887 1.00 0.00 O ATOM 31042 O5* G B1444 52.510 -80.617 -55.873 1.00 0.00 O ATOM 31043 C5* G B1444 52.307 -80.505 -54.451 1.00 0.00 C ATOM 31044 C4* G B1444 51.186 -79.527 -54.164 1.00 0.00 C ATOM 31045 O4* G B1444 51.617 -78.189 -54.541 1.00 0.00 O ATOM 31046 C3* G B1444 49.898 -79.736 -54.962 1.00 0.00 C ATOM 31047 O3* G B1444 49.076 -80.692 -54.367 1.00 0.00 O ATOM 31048 C2* G B1444 49.282 -78.340 -54.947 1.00 0.00 C ATOM 31049 O2* G B1444 48.692 -78.064 -53.688 1.00 0.00 O ATOM 31050 C1* G B1444 50.520 -77.456 -55.060 1.00 0.00 C ATOM 31051 N9 G B1444 50.850 -77.064 -56.458 1.00 0.00 N ATOM 31052 C8 G B1444 51.862 -77.519 -57.276 1.00 0.00 C ATOM 31053 N7 G B1444 51.878 -76.966 -58.464 1.00 0.00 N ATOM 31054 C5 G B1444 50.801 -76.078 -58.431 1.00 0.00 C ATOM 31055 C6 G B1444 50.317 -75.195 -59.428 1.00 0.00 C ATOM 31056 O6 G B1444 50.742 -75.008 -60.566 1.00 0.00 O ATOM 31057 N1 G B1444 49.200 -74.476 -58.976 1.00 0.00 N ATOM 31058 C2 G B1444 48.629 -74.595 -57.724 1.00 0.00 C ATOM 31059 N2 G B1444 47.569 -73.823 -57.488 1.00 0.00 N ATOM 31060 N3 G B1444 49.086 -75.426 -56.790 1.00 0.00 N ATOM 31061 C4 G B1444 50.169 -76.131 -57.211 1.00 0.00 C ATOM 31062 P G B1445 48.745 -82.475 -54.796 1.00 0.00 P ATOM 31063 O1P G B1445 47.693 -82.860 -53.825 1.00 0.00 O ATOM 31064 O2P G B1445 49.974 -83.300 -54.778 1.00 0.00 O ATOM 31065 O5* G B1445 48.097 -82.532 -56.541 1.00 0.00 O ATOM 31066 C5* G B1445 47.069 -82.626 -57.592 1.00 0.00 C ATOM 31067 C4* G B1445 46.487 -83.944 -58.562 1.00 0.00 C ATOM 31068 O4* G B1445 47.218 -83.400 -59.695 1.00 0.00 O ATOM 31069 C3* G B1445 46.943 -85.407 -58.496 1.00 0.00 C ATOM 31070 O3* G B1445 46.175 -86.643 -57.682 1.00 0.00 O ATOM 31071 C2* G B1445 47.095 -85.755 -59.976 1.00 0.00 C ATOM 31072 O2* G B1445 45.829 -85.964 -60.577 1.00 0.00 O ATOM 31073 C1* G B1445 47.644 -84.454 -60.546 1.00 0.00 C ATOM 31074 N9 G B1445 49.346 -84.391 -60.668 1.00 0.00 N ATOM 31075 C8 G B1445 50.230 -85.375 -61.060 1.00 0.00 C ATOM 31076 N7 G B1445 51.478 -84.974 -61.126 1.00 0.00 N ATOM 31077 C5 G B1445 51.418 -83.634 -60.751 1.00 0.00 C ATOM 31078 C6 G B1445 52.450 -82.672 -60.630 1.00 0.00 C ATOM 31079 O6 G B1445 53.657 -82.807 -60.832 1.00 0.00 O ATOM 31080 N1 G B1445 51.949 -81.431 -60.219 1.00 0.00 N ATOM 31081 C2 G B1445 50.622 -81.151 -59.960 1.00 0.00 C ATOM 31082 N2 G B1445 50.343 -79.903 -59.583 1.00 0.00 N ATOM 31083 N3 G B1445 49.649 -82.057 -60.075 1.00 0.00 N ATOM 31084 C4 G B1445 50.123 -83.269 -60.470 1.00 0.00 C ATOM 31085 P C B1446 44.574 -87.547 -57.119 1.00 0.00 P ATOM 31086 O1P C B1446 45.157 -88.898 -56.952 1.00 0.00 O ATOM 31087 O2P C B1446 43.192 -87.504 -57.646 1.00 0.00 O ATOM 31088 O5* C B1446 44.653 -86.747 -55.735 1.00 0.00 O ATOM 31089 C5* C B1446 45.351 -87.339 -54.627 1.00 0.00 C ATOM 31090 C4* C B1446 45.406 -86.362 -53.466 1.00 0.00 C ATOM 31091 O4* C B1446 46.261 -85.242 -53.836 1.00 0.00 O ATOM 31092 C3* C B1446 44.079 -85.703 -53.089 1.00 0.00 C ATOM 31093 O3* C B1446 43.334 -86.514 -52.233 1.00 0.00 O ATOM 31094 C2* C B1446 44.545 -84.412 -52.420 1.00 0.00 C ATOM 31095 O2* C B1446 45.023 -84.667 -51.110 1.00 0.00 O ATOM 31096 C1* C B1446 45.756 -84.043 -53.271 1.00 0.00 C ATOM 31097 N1 C B1446 45.442 -83.104 -54.381 1.00 0.00 N ATOM 31098 C2 C B1446 45.204 -81.771 -54.057 1.00 0.00 C ATOM 31099 O2 C B1446 45.264 -81.425 -52.872 1.00 0.00 O ATOM 31100 N3 C B1446 44.919 -80.899 -55.059 1.00 0.00 N ATOM 31101 C4 C B1446 44.865 -81.313 -56.332 1.00 0.00 C ATOM 31102 N4 C B1446 44.582 -80.423 -57.268 1.00 0.00 N ATOM 31103 C5 C B1446 45.108 -82.678 -56.685 1.00 0.00 C ATOM 31104 C6 C B1446 45.392 -83.534 -55.670 1.00 0.00 C ATOM 31105 P C B1447 41.706 -86.483 -52.349 1.00 0.00 P ATOM 31106 O1P C B1447 41.120 -87.645 -51.645 1.00 0.00 O ATOM 31107 O2P C B1447 41.314 -86.326 -53.770 1.00 0.00 O ATOM 31108 O5* C B1447 41.371 -85.140 -51.545 1.00 0.00 O ATOM 31109 C5* C B1447 41.752 -85.043 -50.161 1.00 0.00 C ATOM 31110 C4* C B1447 41.455 -83.652 -49.637 1.00 0.00 C ATOM 31111 O4* C B1447 42.346 -82.701 -50.290 1.00 0.00 O ATOM 31112 C3* C B1447 40.058 -83.113 -49.937 1.00 0.00 C ATOM 31113 O3* C B1447 39.128 -83.549 -48.997 1.00 0.00 O ATOM 31114 C2* C B1447 40.281 -81.602 -49.886 1.00 0.00 C ATOM 31115 O2* C B1447 40.382 -81.155 -48.546 1.00 0.00 O ATOM 31116 C1* C B1447 41.668 -81.474 -50.504 1.00 0.00 C ATOM 31117 N1 C B1447 41.650 -81.207 -51.969 1.00 0.00 N ATOM 31118 C2 C B1447 41.295 -79.928 -52.391 1.00 0.00 C ATOM 31119 O2 C B1447 41.010 -79.079 -51.540 1.00 0.00 O ATOM 31120 N3 C B1447 41.269 -79.664 -53.722 1.00 0.00 N ATOM 31121 C4 C B1447 41.585 -80.614 -54.613 1.00 0.00 C ATOM 31122 N4 C B1447 41.546 -80.307 -55.901 1.00 0.00 N ATOM 31123 C5 C B1447 41.954 -81.934 -54.198 1.00 0.00 C ATOM 31124 C6 C B1447 41.971 -82.180 -52.863 1.00 0.00 C ATOM 31125 P G B1448 37.595 -83.834 -49.486 1.00 0.00 P ATOM 31126 O1P G B1448 36.871 -84.625 -48.464 1.00 0.00 O ATOM 31127 O2P G B1448 37.611 -84.406 -50.850 1.00 0.00 O ATOM 31128 O5* G B1448 37.011 -82.346 -49.527 1.00 0.00 O ATOM 31129 C5* G B1448 36.990 -81.569 -48.315 1.00 0.00 C ATOM 31130 C4* G B1448 36.520 -80.159 -48.611 1.00 0.00 C ATOM 31131 O4* G B1448 37.529 -79.485 -49.414 1.00 0.00 O ATOM 31132 C3* G B1448 35.245 -80.044 -49.447 1.00 0.00 C ATOM 31133 O3* G B1448 34.104 -80.149 -48.655 1.00 0.00 O ATOM 31134 C2* G B1448 35.401 -78.661 -50.075 1.00 0.00 C ATOM 31135 O2* G B1448 35.115 -77.641 -49.134 1.00 0.00 O ATOM 31136 C1* G B1448 36.902 -78.611 -50.343 1.00 0.00 C ATOM 31137 N9 G B1448 37.284 -79.047 -51.713 1.00 0.00 N ATOM 31138 C8 G B1448 37.877 -80.221 -52.121 1.00 0.00 C ATOM 31139 N7 G B1448 38.082 -80.297 -53.414 1.00 0.00 N ATOM 31140 C5 G B1448 37.586 -79.084 -53.897 1.00 0.00 C ATOM 31141 C6 G B1448 37.532 -78.584 -55.224 1.00 0.00 C ATOM 31142 O6 G B1448 37.912 -79.115 -56.266 1.00 0.00 O ATOM 31143 N1 G B1448 36.949 -77.310 -55.265 1.00 0.00 N ATOM 31144 C2 G B1448 36.485 -76.609 -54.171 1.00 0.00 C ATOM 31145 N2 G B1448 35.962 -75.407 -54.421 1.00 0.00 N ATOM 31146 N3 G B1448 36.536 -77.081 -52.928 1.00 0.00 N ATOM 31147 C4 G B1448 37.099 -78.316 -52.868 1.00 0.00 C ATOM 31148 P G B1449 32.776 -80.859 -49.283 1.00 0.00 P ATOM 31149 O1P G B1449 31.821 -81.203 -48.204 1.00 0.00 O ATOM 31150 O2P G B1449 33.185 -81.980 -50.159 1.00 0.00 O ATOM 31151 O5* G B1449 32.184 -79.666 -50.168 1.00 0.00 O ATOM 31152 C5* G B1449 31.805 -78.437 -49.523 1.00 0.00 C ATOM 31153 C4* G B1449 31.395 -77.410 -50.557 1.00 0.00 C ATOM 31154 O4* G B1449 32.567 -77.026 -51.331 1.00 0.00 O ATOM 31155 C3* G B1449 30.399 -77.892 -51.614 1.00 0.00 C ATOM 31156 O3* G B1449 29.086 -77.803 -51.156 1.00 0.00 O ATOM 31157 C2* G B1449 30.684 -76.944 -52.776 1.00 0.00 C ATOM 31158 O2* G B1449 30.118 -75.668 -52.535 1.00 0.00 O ATOM 31159 C1* G B1449 32.198 -76.783 -52.678 1.00 0.00 C ATOM 31160 N9 G B1449 32.956 -77.729 -53.542 1.00 0.00 N ATOM 31161 C8 G B1449 33.675 -78.849 -53.186 1.00 0.00 C ATOM 31162 N7 G B1449 34.232 -79.470 -54.197 1.00 0.00 N ATOM 31163 C5 G B1449 33.856 -78.706 -55.302 1.00 0.00 C ATOM 31164 C6 G B1449 34.156 -78.882 -56.679 1.00 0.00 C ATOM 31165 O6 G B1449 34.827 -79.761 -57.214 1.00 0.00 O ATOM 31166 N1 G B1449 33.572 -77.877 -57.461 1.00 0.00 N ATOM 31167 C2 G B1449 32.800 -76.837 -56.978 1.00 0.00 C ATOM 31168 N2 G B1449 32.335 -75.982 -57.887 1.00 0.00 N ATOM 31169 N3 G B1449 32.519 -76.675 -55.686 1.00 0.00 N ATOM 31170 C4 G B1449 33.076 -77.643 -54.913 1.00 0.00 C ATOM 31171 P G B1450 28.006 -78.923 -51.652 1.00 0.00 P ATOM 31172 O1P G B1450 26.798 -78.884 -50.793 1.00 0.00 O ATOM 31173 O2P G B1450 28.675 -80.238 -51.759 1.00 0.00 O ATOM 31174 O5* G B1450 27.648 -78.376 -53.110 1.00 0.00 O ATOM 31175 C5* G B1450 27.069 -77.063 -53.242 1.00 0.00 C ATOM 31176 C4* G B1450 26.934 -76.700 -54.706 1.00 0.00 C ATOM 31177 O4* G B1450 28.261 -76.530 -55.275 1.00 0.00 O ATOM 31178 C3* G B1450 26.285 -77.758 -55.598 1.00 0.00 C ATOM 31179 O3* G B1450 24.894 -77.680 -55.556 1.00 0.00 O ATOM 31180 C2* G B1450 26.852 -77.411 -56.974 1.00 0.00 C ATOM 31181 O2* G B1450 26.204 -76.273 -57.511 1.00 0.00 O ATOM 31182 C1* G B1450 28.273 -76.987 -56.619 1.00 0.00 C ATOM 31183 N9 G B1450 29.271 -78.089 -56.720 1.00 0.00 N ATOM 31184 C8 G B1450 29.893 -78.795 -55.713 1.00 0.00 C ATOM 31185 N7 G B1450 30.726 -79.714 -56.142 1.00 0.00 N ATOM 31186 C5 G B1450 30.653 -79.607 -57.530 1.00 0.00 C ATOM 31187 C6 G B1450 31.328 -80.337 -58.542 1.00 0.00 C ATOM 31188 O6 G B1450 32.147 -81.246 -58.417 1.00 0.00 O ATOM 31189 N1 G B1450 30.957 -79.904 -59.822 1.00 0.00 N ATOM 31190 C2 G B1450 30.050 -78.896 -60.092 1.00 0.00 C ATOM 31191 N2 G B1450 29.830 -78.634 -61.379 1.00 0.00 N ATOM 31192 N3 G B1450 29.416 -78.213 -59.141 1.00 0.00 N ATOM 31193 C4 G B1450 29.767 -78.618 -57.892 1.00 0.00 C ATOM 31194 P C B1451 23.884 -79.307 -55.744 1.00 0.00 P ATOM 31195 O1P C B1451 22.717 -78.945 -56.578 1.00 0.00 O ATOM 31196 O2P C B1451 23.605 -79.541 -54.311 1.00 0.00 O ATOM 31197 O5* C B1451 24.350 -80.939 -56.714 1.00 0.00 O ATOM 31198 C5* C B1451 24.353 -82.416 -57.389 1.00 0.00 C ATOM 31199 C4* C B1451 24.323 -83.234 -58.991 1.00 0.00 C ATOM 31200 O4* C B1451 23.645 -84.518 -58.891 1.00 0.00 O ATOM 31201 C3* C B1451 25.087 -83.321 -60.317 1.00 0.00 C ATOM 31202 O3* C B1451 25.560 -82.309 -61.551 1.00 0.00 O ATOM 31203 C2* C B1451 25.511 -84.785 -60.345 1.00 0.00 C ATOM 31204 O2* C B1451 26.601 -85.011 -59.471 1.00 0.00 O ATOM 31205 C1* C B1451 24.296 -85.470 -59.722 1.00 0.00 C ATOM 31206 N1 C B1451 23.139 -86.077 -60.868 1.00 0.00 N ATOM 31207 C2 C B1451 23.568 -87.045 -61.774 1.00 0.00 C ATOM 31208 O2 C B1451 24.752 -87.387 -61.759 1.00 0.00 O ATOM 31209 N3 C B1451 22.666 -87.569 -62.645 1.00 0.00 N ATOM 31210 C4 C B1451 21.392 -87.162 -62.631 1.00 0.00 C ATOM 31211 N4 C B1451 20.551 -87.706 -63.498 1.00 0.00 N ATOM 31212 C5 C B1451 20.929 -86.173 -61.705 1.00 0.00 C ATOM 31213 C6 C B1451 21.845 -85.661 -60.847 1.00 0.00 C ATOM 31214 P G B1452 27.311 -81.654 -62.036 1.00 0.00 P ATOM 31215 O1P G B1452 28.104 -82.823 -62.468 1.00 0.00 O ATOM 31216 O2P G B1452 27.800 -80.952 -60.828 1.00 0.00 O ATOM 31217 O5* G B1452 27.554 -80.187 -63.264 1.00 0.00 O ATOM 31218 C5* G B1452 28.597 -79.038 -63.459 1.00 0.00 C ATOM 31219 C4* G B1452 29.191 -78.511 -65.010 1.00 0.00 C ATOM 31220 O4* G B1452 30.244 -79.375 -65.526 1.00 0.00 O ATOM 31221 C3* G B1452 27.987 -78.820 -65.898 1.00 0.00 C ATOM 31222 O3* G B1452 26.590 -78.642 -65.580 1.00 0.00 O ATOM 31223 C2* G B1452 28.651 -79.046 -67.258 1.00 0.00 C ATOM 31224 O2* G B1452 29.027 -77.811 -67.851 1.00 0.00 O ATOM 31225 C1* G B1452 29.941 -79.758 -66.860 1.00 0.00 C ATOM 31226 N9 G B1452 29.859 -81.482 -66.924 1.00 0.00 N ATOM 31227 C8 G B1452 30.206 -82.402 -65.962 1.00 0.00 C ATOM 31228 N7 G B1452 29.887 -83.638 -66.257 1.00 0.00 N ATOM 31229 C5 G B1452 29.283 -83.530 -67.511 1.00 0.00 C ATOM 31230 C6 G B1452 28.730 -84.529 -68.353 1.00 0.00 C ATOM 31231 O6 G B1452 28.658 -85.738 -68.160 1.00 0.00 O ATOM 31232 N1 G B1452 28.219 -83.976 -69.534 1.00 0.00 N ATOM 31233 C2 G B1452 28.244 -82.639 -69.867 1.00 0.00 C ATOM 31234 N2 G B1452 27.704 -82.317 -71.045 1.00 0.00 N ATOM 31235 N3 G B1452 28.760 -81.698 -69.079 1.00 0.00 N ATOM 31236 C4 G B1452 29.260 -82.216 -67.922 1.00 0.00 C ATOM 31237 P A B1453 25.881 -80.258 -65.942 1.00 0.00 P ATOM 31238 O1P A B1453 25.100 -80.776 -64.798 1.00 0.00 O ATOM 31239 O2P A B1453 26.809 -81.222 -66.576 1.00 0.00 O ATOM 31240 O5* A B1453 25.008 -79.249 -67.151 1.00 0.00 O ATOM 31241 C5* A B1453 23.997 -78.412 -66.554 1.00 0.00 C ATOM 31242 C4* A B1453 22.737 -79.393 -66.346 1.00 0.00 C ATOM 31243 O4* A B1453 22.918 -80.620 -67.112 1.00 0.00 O ATOM 31244 C3* A B1453 22.125 -79.873 -65.030 1.00 0.00 C ATOM 31245 O3* A B1453 21.574 -78.727 -64.104 1.00 0.00 O ATOM 31246 C2* A B1453 21.233 -81.021 -65.488 1.00 0.00 C ATOM 31247 O2* A B1453 20.047 -80.525 -66.091 1.00 0.00 O ATOM 31248 C1* A B1453 22.071 -81.639 -66.604 1.00 0.00 C ATOM 31249 N9 A B1453 23.057 -82.972 -66.112 1.00 0.00 N ATOM 31250 C8 A B1453 24.390 -82.968 -65.765 1.00 0.00 C ATOM 31251 N7 A B1453 24.889 -84.151 -65.582 1.00 0.00 N ATOM 31252 C5 A B1453 23.818 -85.009 -65.821 1.00 0.00 C ATOM 31253 C6 A B1453 23.698 -86.407 -65.789 1.00 0.00 C ATOM 31254 N6 A B1453 24.713 -87.230 -65.488 1.00 0.00 N ATOM 31255 N1 A B1453 22.493 -86.930 -66.082 1.00 0.00 N ATOM 31256 C2 A B1453 21.487 -86.107 -66.378 1.00 0.00 C ATOM 31257 N3 A B1453 21.483 -84.793 -66.440 1.00 0.00 N ATOM 31258 C4 A B1453 22.702 -84.291 -66.145 1.00 0.00 C ATOM 31259 P C B1454 21.043 -78.750 -62.331 1.00 0.00 P ATOM 31260 O1P C B1454 21.456 -79.950 -61.571 1.00 0.00 O ATOM 31261 O2P C B1454 19.612 -78.379 -62.221 1.00 0.00 O ATOM 31262 O5* C B1454 22.053 -77.296 -61.853 1.00 0.00 O ATOM 31263 C5* C B1454 22.147 -76.133 -61.008 1.00 0.00 C ATOM 31264 C4* C B1454 20.771 -75.322 -60.716 1.00 0.00 C ATOM 31265 O4* C B1454 19.956 -74.741 -61.774 1.00 0.00 O ATOM 31266 C3* C B1454 19.961 -75.072 -59.445 1.00 0.00 C ATOM 31267 O3* C B1454 20.081 -75.531 -58.012 1.00 0.00 O ATOM 31268 C2* C B1454 19.336 -73.704 -59.728 1.00 0.00 C ATOM 31269 O2* C B1454 20.293 -72.676 -59.557 1.00 0.00 O ATOM 31270 C1* C B1454 19.049 -73.798 -61.221 1.00 0.00 C ATOM 31271 N1 C B1454 17.465 -74.286 -61.610 1.00 0.00 N ATOM 31272 C2 C B1454 16.410 -73.531 -61.106 1.00 0.00 C ATOM 31273 O2 C B1454 16.667 -72.556 -60.385 1.00 0.00 O ATOM 31274 N3 C B1454 15.139 -73.889 -61.414 1.00 0.00 N ATOM 31275 C4 C B1454 14.905 -74.953 -62.202 1.00 0.00 C ATOM 31276 N4 C B1454 13.647 -75.262 -62.478 1.00 0.00 N ATOM 31277 C5 C B1454 15.973 -75.741 -62.731 1.00 0.00 C ATOM 31278 C6 C B1454 17.237 -75.365 -62.408 1.00 0.00 C ATOM 31279 P G B1455 21.660 -76.159 -57.351 1.00 0.00 P ATOM 31280 O1P G B1455 22.256 -75.366 -56.250 1.00 0.00 O ATOM 31281 O2P G B1455 22.529 -76.387 -58.527 1.00 0.00 O ATOM 31282 O5* G B1455 20.854 -77.678 -56.717 1.00 0.00 O ATOM 31283 C5* G B1455 20.489 -78.755 -55.770 1.00 0.00 C ATOM 31284 C4* G B1455 20.770 -80.368 -56.197 1.00 0.00 C ATOM 31285 O4* G B1455 19.759 -80.939 -57.075 1.00 0.00 O ATOM 31286 C3* G B1455 21.310 -81.569 -55.424 1.00 0.00 C ATOM 31287 O3* G B1455 22.002 -81.417 -54.010 1.00 0.00 O ATOM 31288 C2* G B1455 20.055 -82.423 -55.240 1.00 0.00 C ATOM 31289 O2* G B1455 19.228 -81.894 -54.226 1.00 0.00 O ATOM 31290 C1* G B1455 19.336 -82.199 -56.568 1.00 0.00 C ATOM 31291 N9 G B1455 19.635 -83.358 -57.724 1.00 0.00 N ATOM 31292 C8 G B1455 20.686 -83.448 -58.615 1.00 0.00 C ATOM 31293 N7 G B1455 20.702 -84.564 -59.307 1.00 0.00 N ATOM 31294 C5 G B1455 19.591 -85.259 -58.838 1.00 0.00 C ATOM 31295 C6 G B1455 19.090 -86.534 -59.209 1.00 0.00 C ATOM 31296 O6 G B1455 19.530 -87.324 -60.039 1.00 0.00 O ATOM 31297 N1 G B1455 17.935 -86.860 -58.485 1.00 0.00 N ATOM 31298 C2 G B1455 17.344 -86.059 -57.528 1.00 0.00 C ATOM 31299 N2 G B1455 16.244 -86.553 -56.951 1.00 0.00 N ATOM 31300 N3 G B1455 17.813 -84.866 -57.180 1.00 0.00 N ATOM 31301 C4 G B1455 18.935 -84.535 -57.874 1.00 0.00 C ATOM 31302 P G B1456 23.583 -82.240 -53.464 1.00 0.00 P ATOM 31303 O1P G B1456 23.937 -81.791 -52.097 1.00 0.00 O ATOM 31304 O2P G B1456 24.639 -82.073 -54.488 1.00 0.00 O ATOM 31305 O5* G B1456 23.046 -83.998 -53.377 1.00 0.00 O ATOM 31306 C5* G B1456 23.749 -84.776 -52.353 1.00 0.00 C ATOM 31307 C4* G B1456 24.032 -86.322 -52.723 1.00 0.00 C ATOM 31308 O4* G B1456 22.861 -87.055 -53.190 1.00 0.00 O ATOM 31309 C3* G B1456 25.165 -86.834 -53.621 1.00 0.00 C ATOM 31310 O3* G B1456 26.509 -86.689 -52.844 1.00 0.00 O ATOM 31311 C2* G B1456 24.787 -88.303 -53.805 1.00 0.00 C ATOM 31312 O2* G B1456 25.101 -89.050 -52.645 1.00 0.00 O ATOM 31313 C1* G B1456 23.267 -88.223 -53.884 1.00 0.00 C ATOM 31314 N9 G B1456 22.635 -88.149 -55.483 1.00 0.00 N ATOM 31315 C8 G B1456 21.932 -87.131 -56.094 1.00 0.00 C ATOM 31316 N7 G B1456 21.499 -87.432 -57.295 1.00 0.00 N ATOM 31317 C5 G B1456 21.937 -88.740 -57.486 1.00 0.00 C ATOM 31318 C6 G B1456 21.771 -89.607 -58.598 1.00 0.00 C ATOM 31319 O6 G B1456 21.186 -89.394 -59.657 1.00 0.00 O ATOM 31320 N1 G B1456 22.379 -90.850 -58.377 1.00 0.00 N ATOM 31321 C2 G B1456 23.060 -91.207 -57.226 1.00 0.00 C ATOM 31322 N2 G B1456 23.575 -92.444 -57.214 1.00 0.00 N ATOM 31323 N3 G B1456 23.216 -90.394 -56.191 1.00 0.00 N ATOM 31324 C4 G B1456 22.634 -89.186 -56.387 1.00 0.00 C ATOM 31325 P U B1457 28.084 -86.138 -53.579 1.00 0.00 P ATOM 31326 O1P U B1457 28.825 -85.334 -52.579 1.00 0.00 O ATOM 31327 O2P U B1457 27.974 -85.541 -54.928 1.00 0.00 O ATOM 31328 O5* U B1457 28.709 -87.848 -53.582 1.00 0.00 O ATOM 31329 C5* U B1457 28.911 -89.112 -52.909 1.00 0.00 C ATOM 31330 C4* U B1457 28.487 -90.387 -53.850 1.00 0.00 C ATOM 31331 O4* U B1457 27.146 -90.255 -54.411 1.00 0.00 O ATOM 31332 C3* U B1457 29.357 -90.726 -55.060 1.00 0.00 C ATOM 31333 O3* U B1457 30.839 -91.002 -54.952 1.00 0.00 O ATOM 31334 C2* U B1457 28.424 -91.602 -55.891 1.00 0.00 C ATOM 31335 O2* U B1457 28.335 -92.902 -55.340 1.00 0.00 O ATOM 31336 C1* U B1457 27.076 -90.928 -55.657 1.00 0.00 C ATOM 31337 N1 U B1457 26.637 -89.814 -56.835 1.00 0.00 N ATOM 31338 C2 U B1457 26.424 -90.299 -58.108 1.00 0.00 C ATOM 31339 O2 U B1457 26.464 -91.486 -58.376 1.00 0.00 O ATOM 31340 N3 U B1457 26.160 -89.343 -59.068 1.00 0.00 N ATOM 31341 C4 U B1457 26.093 -87.978 -58.871 1.00 0.00 C ATOM 31342 O4 U B1457 25.849 -87.222 -59.810 1.00 0.00 O ATOM 31343 C5 U B1457 26.331 -87.567 -57.507 1.00 0.00 C ATOM 31344 C6 U B1457 26.590 -88.474 -56.551 1.00 0.00 C ATOM 31345 P U B1458 31.765 -89.939 -56.116 1.00 0.00 P ATOM 31346 O1P U B1458 33.220 -90.198 -56.056 1.00 0.00 O ATOM 31347 O2P U B1458 31.356 -88.522 -56.012 1.00 0.00 O ATOM 31348 O5* U B1458 30.973 -90.768 -57.528 1.00 0.00 O ATOM 31349 C5* U B1458 30.028 -91.699 -58.086 1.00 0.00 C ATOM 31350 C4* U B1458 29.881 -91.612 -59.697 1.00 0.00 C ATOM 31351 O4* U B1458 28.615 -91.199 -60.298 1.00 0.00 O ATOM 31352 C3* U B1458 30.935 -90.908 -60.555 1.00 0.00 C ATOM 31353 O3* U B1458 32.405 -90.895 -60.196 1.00 0.00 O ATOM 31354 C2* U B1458 30.313 -90.967 -61.945 1.00 0.00 C ATOM 31355 O2* U B1458 30.439 -92.266 -62.499 1.00 0.00 O ATOM 31356 C1* U B1458 28.836 -90.761 -61.627 1.00 0.00 C ATOM 31357 N1 U B1458 28.299 -89.147 -61.757 1.00 0.00 N ATOM 31358 C2 U B1458 27.460 -88.852 -62.800 1.00 0.00 C ATOM 31359 O2 U B1458 27.063 -89.691 -63.589 1.00 0.00 O ATOM 31360 N3 U B1458 27.082 -87.530 -62.903 1.00 0.00 N ATOM 31361 C4 U B1458 27.472 -86.502 -62.070 1.00 0.00 C ATOM 31362 O4 U B1458 27.067 -85.350 -62.261 1.00 0.00 O ATOM 31363 C5 U B1458 28.351 -86.906 -61.003 1.00 0.00 C ATOM 31364 C6 U B1458 28.734 -88.189 -60.877 1.00 0.00 C ATOM 31365 P G B1459 32.985 -89.171 -60.105 1.00 0.00 P ATOM 31366 O1P G B1459 34.435 -89.059 -59.829 1.00 0.00 O ATOM 31367 O2P G B1459 32.105 -88.311 -59.288 1.00 0.00 O ATOM 31368 O5* G B1459 32.602 -89.099 -61.873 1.00 0.00 O ATOM 31369 C5* G B1459 33.508 -89.782 -62.761 1.00 0.00 C ATOM 31370 C4* G B1459 34.523 -88.691 -63.355 1.00 0.00 C ATOM 31371 O4* G B1459 34.139 -87.296 -63.203 1.00 0.00 O ATOM 31372 C3* G B1459 36.053 -88.652 -63.351 1.00 0.00 C ATOM 31373 O3* G B1459 36.720 -89.890 -64.009 1.00 0.00 O ATOM 31374 C2* G B1459 36.343 -87.351 -64.092 1.00 0.00 C ATOM 31375 O2* G B1459 36.152 -87.516 -65.484 1.00 0.00 O ATOM 31376 C1* G B1459 35.217 -86.454 -63.587 1.00 0.00 C ATOM 31377 N9 G B1459 35.633 -85.467 -62.253 1.00 0.00 N ATOM 31378 C8 G B1459 35.417 -85.688 -60.909 1.00 0.00 C ATOM 31379 N7 G B1459 35.719 -84.662 -60.146 1.00 0.00 N ATOM 31380 C5 G B1459 36.159 -83.695 -61.046 1.00 0.00 C ATOM 31381 C6 G B1459 36.621 -82.371 -60.816 1.00 0.00 C ATOM 31382 O6 G B1459 36.733 -81.772 -59.748 1.00 0.00 O ATOM 31383 N1 G B1459 36.971 -81.736 -62.015 1.00 0.00 N ATOM 31384 C2 G B1459 36.890 -82.301 -63.271 1.00 0.00 C ATOM 31385 N2 G B1459 37.273 -81.529 -64.292 1.00 0.00 N ATOM 31386 N3 G B1459 36.458 -83.540 -63.486 1.00 0.00 N ATOM 31387 C4 G B1459 36.112 -84.174 -62.335 1.00 0.00 C ATOM 31388 P U B1460 38.028 -89.607 -65.279 1.00 0.00 P ATOM 31389 O1P U B1460 38.857 -90.824 -65.431 1.00 0.00 O ATOM 31390 O2P U B1460 38.772 -88.351 -65.041 1.00 0.00 O ATOM 31391 O5* U B1460 36.864 -89.402 -66.680 1.00 0.00 O ATOM 31392 C5* U B1460 35.612 -88.821 -67.108 1.00 0.00 C ATOM 31393 C4* U B1460 35.595 -87.751 -68.362 1.00 0.00 C ATOM 31394 O4* U B1460 34.729 -88.383 -69.351 1.00 0.00 O ATOM 31395 C3* U B1460 35.172 -86.282 -68.395 1.00 0.00 C ATOM 31396 O3* U B1460 36.162 -85.047 -68.228 1.00 0.00 O ATOM 31397 C2* U B1460 34.864 -86.069 -69.873 1.00 0.00 C ATOM 31398 O2* U B1460 36.059 -85.952 -70.628 1.00 0.00 O ATOM 31399 C1* U B1460 34.229 -87.404 -70.251 1.00 0.00 C ATOM 31400 N1 U B1460 32.518 -87.427 -70.177 1.00 0.00 N ATOM 31401 C2 U B1460 31.848 -87.727 -71.336 1.00 0.00 C ATOM 31402 O2 U B1460 32.415 -88.053 -72.366 1.00 0.00 O ATOM 31403 N3 U B1460 30.470 -87.631 -71.270 1.00 0.00 N ATOM 31404 C4 U B1460 29.730 -87.269 -70.163 1.00 0.00 C ATOM 31405 O4 U B1460 28.498 -87.220 -70.221 1.00 0.00 O ATOM 31406 C5 U B1460 30.520 -86.974 -68.995 1.00 0.00 C ATOM 31407 C6 U B1460 31.859 -87.062 -69.034 1.00 0.00 C ATOM 31408 P C B1461 36.533 -84.283 -66.591 1.00 0.00 P ATOM 31409 O1P C B1461 37.952 -83.898 -66.403 1.00 0.00 O ATOM 31410 O2P C B1461 36.024 -85.312 -65.659 1.00 0.00 O ATOM 31411 O5* C B1461 35.607 -82.981 -66.528 1.00 0.00 O ATOM 31412 C5* C B1461 34.961 -82.526 -67.729 1.00 0.00 C ATOM 31413 C4* C B1461 34.040 -81.364 -67.418 1.00 0.00 C ATOM 31414 O4* C B1461 32.928 -81.849 -66.610 1.00 0.00 O ATOM 31415 C3* C B1461 34.646 -80.243 -66.573 1.00 0.00 C ATOM 31416 O3* C B1461 35.353 -79.335 -67.357 1.00 0.00 O ATOM 31417 C2* C B1461 33.406 -79.626 -65.926 1.00 0.00 C ATOM 31418 O2* C B1461 32.707 -78.816 -66.855 1.00 0.00 O ATOM 31419 C1* C B1461 32.548 -80.858 -65.671 1.00 0.00 C ATOM 31420 N1 C B1461 32.713 -81.432 -64.306 1.00 0.00 N ATOM 31421 C2 C B1461 32.132 -80.747 -63.240 1.00 0.00 C ATOM 31422 O2 C B1461 31.513 -79.701 -63.470 1.00 0.00 O ATOM 31423 N3 C B1461 32.271 -81.251 -61.988 1.00 0.00 N ATOM 31424 C4 C B1461 32.951 -82.387 -61.782 1.00 0.00 C ATOM 31425 N4 C B1461 33.057 -82.837 -60.539 1.00 0.00 N ATOM 31426 C5 C B1461 33.554 -83.106 -62.862 1.00 0.00 C ATOM 31427 C6 C B1461 33.404 -82.582 -64.106 1.00 0.00 C ATOM 31428 P C B1462 36.679 -78.620 -66.732 1.00 0.00 P ATOM 31429 O1P C B1462 37.483 -77.998 -67.806 1.00 0.00 O ATOM 31430 O2P C B1462 37.398 -79.584 -65.870 1.00 0.00 O ATOM 31431 O5* C B1462 36.007 -77.481 -65.828 1.00 0.00 O ATOM 31432 C5* C B1462 35.184 -76.485 -66.458 1.00 0.00 C ATOM 31433 C4* C B1462 34.556 -75.593 -65.409 1.00 0.00 C ATOM 31434 O4* C B1462 33.596 -76.373 -64.637 1.00 0.00 O ATOM 31435 C3* C B1462 35.507 -75.035 -64.350 1.00 0.00 C ATOM 31436 O3* C B1462 36.150 -73.881 -64.798 1.00 0.00 O ATOM 31437 C2* C B1462 34.566 -74.766 -63.179 1.00 0.00 C ATOM 31438 O2* C B1462 33.806 -73.591 -63.405 1.00 0.00 O ATOM 31439 C1* C B1462 33.603 -75.943 -63.285 1.00 0.00 C ATOM 31440 N1 C B1462 33.984 -77.107 -62.436 1.00 0.00 N ATOM 31441 C2 C B1462 33.784 -77.002 -61.063 1.00 0.00 C ATOM 31442 O2 C B1462 33.299 -75.959 -60.610 1.00 0.00 O ATOM 31443 N3 C B1462 34.124 -78.053 -60.272 1.00 0.00 N ATOM 31444 C4 C B1462 34.645 -79.165 -60.802 1.00 0.00 C ATOM 31445 N4 C B1462 34.962 -80.160 -59.988 1.00 0.00 N ATOM 31446 C5 C B1462 34.860 -79.293 -62.213 1.00 0.00 C ATOM 31447 C6 C B1462 34.515 -78.233 -62.985 1.00 0.00 C ATOM 31448 P C B1463 37.681 -73.595 -64.310 1.00 0.00 P ATOM 31449 O1P C B1463 38.303 -72.553 -65.161 1.00 0.00 O ATOM 31450 O2P C B1463 38.416 -74.875 -64.221 1.00 0.00 O ATOM 31451 O5* C B1463 37.426 -73.013 -62.841 1.00 0.00 O ATOM 31452 C5* C B1463 36.646 -71.811 -62.695 1.00 0.00 C ATOM 31453 C4* C B1463 36.425 -71.514 -61.226 1.00 0.00 C ATOM 31454 O4* C B1463 35.559 -72.541 -60.662 1.00 0.00 O ATOM 31455 C3* C B1463 37.672 -71.560 -60.341 1.00 0.00 C ATOM 31456 O3* C B1463 38.367 -70.355 -60.374 1.00 0.00 O ATOM 31457 C2* C B1463 37.079 -71.864 -58.968 1.00 0.00 C ATOM 31458 O2* C B1463 36.486 -70.704 -58.409 1.00 0.00 O ATOM 31459 C1* C B1463 35.944 -72.815 -59.325 1.00 0.00 C ATOM 31460 N1 C B1463 36.322 -74.255 -59.242 1.00 0.00 N ATOM 31461 C2 C B1463 36.462 -74.817 -57.976 1.00 0.00 C ATOM 31462 O2 C B1463 36.265 -74.108 -56.982 1.00 0.00 O ATOM 31463 N3 C B1463 36.806 -76.126 -57.880 1.00 0.00 N ATOM 31464 C4 C B1463 37.006 -76.864 -58.978 1.00 0.00 C ATOM 31465 N4 C B1463 37.341 -78.137 -58.830 1.00 0.00 N ATOM 31466 C5 C B1463 36.868 -76.304 -60.289 1.00 0.00 C ATOM 31467 C6 C B1463 36.524 -74.994 -60.365 1.00 0.00 C ATOM 31468 P G B1464 39.996 -70.382 -60.256 1.00 0.00 P ATOM 31469 O1P G B1464 40.561 -69.080 -60.674 1.00 0.00 O ATOM 31470 O2P G B1464 40.521 -71.570 -60.967 1.00 0.00 O ATOM 31471 O5* G B1464 40.180 -70.571 -58.677 1.00 0.00 O ATOM 31472 C5* G B1464 39.654 -69.567 -57.790 1.00 0.00 C ATOM 31473 C4* G B1464 39.829 -70.007 -56.349 1.00 0.00 C ATOM 31474 O4* G B1464 38.962 -71.153 -56.101 1.00 0.00 O ATOM 31475 C3* G B1464 41.223 -70.510 -55.969 1.00 0.00 C ATOM 31476 O3* G B1464 42.072 -69.457 -55.640 1.00 0.00 O ATOM 31477 C2* G B1464 40.923 -71.418 -54.781 1.00 0.00 C ATOM 31478 O2* G B1464 40.663 -70.652 -53.615 1.00 0.00 O ATOM 31479 C1* G B1464 39.600 -72.049 -55.200 1.00 0.00 C ATOM 31480 N9 G B1464 39.752 -73.361 -55.890 1.00 0.00 N ATOM 31481 C8 G B1464 39.612 -73.662 -57.228 1.00 0.00 C ATOM 31482 N7 G B1464 39.818 -74.926 -57.511 1.00 0.00 N ATOM 31483 C5 G B1464 40.118 -75.502 -56.276 1.00 0.00 C ATOM 31484 C6 G B1464 40.431 -76.844 -55.946 1.00 0.00 C ATOM 31485 O6 G B1464 40.513 -77.820 -56.688 1.00 0.00 O ATOM 31486 N1 G B1464 40.667 -76.991 -54.572 1.00 0.00 N ATOM 31487 C2 G B1464 40.607 -75.973 -53.640 1.00 0.00 C ATOM 31488 N2 G B1464 40.865 -76.317 -52.376 1.00 0.00 N ATOM 31489 N3 G B1464 40.313 -74.713 -53.952 1.00 0.00 N ATOM 31490 C4 G B1464 40.079 -74.553 -55.282 1.00 0.00 C ATOM 31491 P G B1465 43.658 -69.585 -56.006 1.00 0.00 P ATOM 31492 O1P G B1465 44.312 -68.260 -55.925 1.00 0.00 O ATOM 31493 O2P G B1465 43.812 -70.299 -57.293 1.00 0.00 O ATOM 31494 O5* G B1465 44.169 -70.515 -54.807 1.00 0.00 O ATOM 31495 C5* G B1465 44.028 -70.047 -53.451 1.00 0.00 C ATOM 31496 C4* G B1465 44.458 -71.132 -52.484 1.00 0.00 C ATOM 31497 O4* G B1465 43.504 -72.230 -52.553 1.00 0.00 O ATOM 31498 C3* G B1465 45.804 -71.793 -52.776 1.00 0.00 C ATOM 31499 O3* G B1465 46.862 -71.055 -52.258 1.00 0.00 O ATOM 31500 C2* G B1465 45.646 -73.153 -52.100 1.00 0.00 C ATOM 31501 O2* G B1465 45.786 -73.035 -50.695 1.00 0.00 O ATOM 31502 C1* G B1465 44.177 -73.464 -52.376 1.00 0.00 C ATOM 31503 N9 G B1465 43.959 -74.287 -53.602 1.00 0.00 N ATOM 31504 C8 G B1465 43.470 -73.906 -54.830 1.00 0.00 C ATOM 31505 N7 G B1465 43.402 -74.883 -55.702 1.00 0.00 N ATOM 31506 C5 G B1465 43.881 -75.988 -55.003 1.00 0.00 C ATOM 31507 C6 G B1465 44.046 -77.331 -55.420 1.00 0.00 C ATOM 31508 O6 G B1465 43.800 -77.834 -56.515 1.00 0.00 O ATOM 31509 N1 G B1465 44.567 -78.128 -54.392 1.00 0.00 N ATOM 31510 C2 G B1465 44.885 -77.684 -53.124 1.00 0.00 C ATOM 31511 N2 G B1465 45.370 -78.602 -52.284 1.00 0.00 N ATOM 31512 N3 G B1465 44.728 -76.422 -52.730 1.00 0.00 N ATOM 31513 C4 G B1465 44.226 -75.634 -53.718 1.00 0.00 C ATOM 31514 P U B1466 46.070 -69.776 -51.016 1.00 0.00 P ATOM 31515 O1P U B1466 46.166 -68.449 -51.664 1.00 0.00 O ATOM 31516 O2P U B1466 46.772 -69.912 -49.721 1.00 0.00 O ATOM 31517 O5* U B1466 44.178 -70.101 -50.718 1.00 0.00 O ATOM 31518 C5* U B1466 42.608 -70.159 -51.009 1.00 0.00 C ATOM 31519 C4* U B1466 41.435 -71.430 -51.261 1.00 0.00 C ATOM 31520 O4* U B1466 41.947 -72.739 -50.872 1.00 0.00 O ATOM 31521 C3* U B1466 39.962 -71.475 -50.848 1.00 0.00 C ATOM 31522 O3* U B1466 38.920 -70.616 -51.795 1.00 0.00 O ATOM 31523 C2* U B1466 39.595 -72.932 -51.134 1.00 0.00 C ATOM 31524 O2* U B1466 39.416 -73.144 -52.522 1.00 0.00 O ATOM 31525 C1* U B1466 40.881 -73.656 -50.738 1.00 0.00 C ATOM 31526 N1 U B1466 40.893 -74.267 -49.141 1.00 0.00 N ATOM 31527 C2 U B1466 40.300 -75.485 -48.939 1.00 0.00 C ATOM 31528 O2 U B1466 39.719 -76.097 -49.820 1.00 0.00 O ATOM 31529 N3 U B1466 40.406 -75.994 -47.660 1.00 0.00 N ATOM 31530 C4 U B1466 41.037 -75.389 -46.590 1.00 0.00 C ATOM 31531 O4 U B1466 41.064 -75.937 -45.487 1.00 0.00 O ATOM 31532 C5 U B1466 41.630 -74.112 -46.902 1.00 0.00 C ATOM 31533 C6 U B1466 41.546 -73.594 -48.137 1.00 0.00 C ATOM 31534 P U B1467 37.090 -71.058 -52.115 1.00 0.00 P ATOM 31535 O1P U B1467 36.256 -70.149 -51.293 1.00 0.00 O ATOM 31536 O2P U B1467 36.905 -72.503 -51.861 1.00 0.00 O ATOM 31537 O5* U B1467 36.520 -70.644 -53.881 1.00 0.00 O ATOM 31538 C5* U B1467 35.108 -70.197 -54.266 1.00 0.00 C ATOM 31539 C4* U B1467 34.251 -70.469 -55.681 1.00 0.00 C ATOM 31540 O4* U B1467 34.299 -71.727 -56.415 1.00 0.00 O ATOM 31541 C3* U B1467 33.055 -69.735 -56.281 1.00 0.00 C ATOM 31542 O3* U B1467 31.541 -69.519 -55.783 1.00 0.00 O ATOM 31543 C2* U B1467 33.132 -70.144 -57.753 1.00 0.00 C ATOM 31544 O2* U B1467 34.166 -69.430 -58.418 1.00 0.00 O ATOM 31545 C1* U B1467 33.599 -71.591 -57.642 1.00 0.00 C ATOM 31546 N1 U B1467 32.384 -72.709 -57.674 1.00 0.00 N ATOM 31547 C2 U B1467 31.652 -72.799 -58.831 1.00 0.00 C ATOM 31548 O2 U B1467 31.921 -72.168 -59.840 1.00 0.00 O ATOM 31549 N3 U B1467 30.568 -73.659 -58.781 1.00 0.00 N ATOM 31550 C4 U B1467 30.171 -74.416 -57.703 1.00 0.00 C ATOM 31551 O4 U B1467 29.185 -75.155 -57.780 1.00 0.00 O ATOM 31552 C5 U B1467 31.005 -74.256 -56.533 1.00 0.00 C ATOM 31553 C6 U B1467 32.057 -73.421 -56.549 1.00 0.00 C ATOM 31554 P U B1468 29.926 -70.397 -56.299 1.00 0.00 P ATOM 31555 O1P U B1468 28.812 -69.593 -55.755 1.00 0.00 O ATOM 31556 O2P U B1468 30.025 -71.786 -55.793 1.00 0.00 O ATOM 31557 O5* U B1468 29.622 -70.420 -58.167 1.00 0.00 O ATOM 31558 C5* U B1468 29.075 -70.142 -59.553 1.00 0.00 C ATOM 31559 C4* U B1468 27.829 -70.813 -60.497 1.00 0.00 C ATOM 31560 O4* U B1468 28.008 -72.215 -60.835 1.00 0.00 O ATOM 31561 C3* U B1468 26.312 -70.624 -60.512 1.00 0.00 C ATOM 31562 O3* U B1468 25.136 -70.329 -59.514 1.00 0.00 O ATOM 31563 C2* U B1468 25.883 -71.537 -61.660 1.00 0.00 C ATOM 31564 O2* U B1468 26.175 -70.938 -62.911 1.00 0.00 O ATOM 31565 C1* U B1468 26.849 -72.708 -61.492 1.00 0.00 C ATOM 31566 N1 U B1468 26.271 -73.929 -60.641 1.00 0.00 N ATOM 31567 C2 U B1468 25.954 -75.075 -61.328 1.00 0.00 C ATOM 31568 O2 U B1468 26.161 -75.209 -62.525 1.00 0.00 O ATOM 31569 N3 U B1468 25.392 -76.083 -60.574 1.00 0.00 N ATOM 31570 C4 U B1468 25.118 -76.044 -59.223 1.00 0.00 C ATOM 31571 O4 U B1468 24.610 -77.011 -58.656 1.00 0.00 O ATOM 31572 C5 U B1468 25.479 -74.800 -58.590 1.00 0.00 C ATOM 31573 C6 U B1468 26.035 -73.799 -59.297 1.00 0.00 C ATOM 31574 P A B1469 23.478 -71.099 -59.953 1.00 0.00 P ATOM 31575 O1P A B1469 23.104 -71.941 -58.790 1.00 0.00 O ATOM 31576 O2P A B1469 23.411 -71.756 -61.272 1.00 0.00 O ATOM 31577 O5* A B1469 22.468 -69.556 -60.141 1.00 0.00 O ATOM 31578 C5* A B1469 21.715 -68.353 -60.532 1.00 0.00 C ATOM 31579 C4* A B1469 20.187 -67.925 -60.003 1.00 0.00 C ATOM 31580 O4* A B1469 20.077 -66.880 -58.991 1.00 0.00 O ATOM 31581 C3* A B1469 19.191 -67.503 -61.080 1.00 0.00 C ATOM 31582 O3* A B1469 18.860 -68.234 -62.394 1.00 0.00 O ATOM 31583 C2* A B1469 18.058 -66.898 -60.251 1.00 0.00 C ATOM 31584 O2* A B1469 17.283 -67.920 -59.640 1.00 0.00 O ATOM 31585 C1* A B1469 18.833 -66.210 -59.130 1.00 0.00 C ATOM 31586 N9 A B1469 19.146 -64.541 -59.392 1.00 0.00 N ATOM 31587 C8 A B1469 18.248 -63.533 -59.668 1.00 0.00 C ATOM 31588 N7 A B1469 18.773 -62.348 -59.662 1.00 0.00 N ATOM 31589 C5 A B1469 20.110 -62.569 -59.365 1.00 0.00 C ATOM 31590 C6 A B1469 21.206 -61.709 -59.212 1.00 0.00 C ATOM 31591 N6 A B1469 21.122 -60.373 -59.349 1.00 0.00 N ATOM 31592 N1 A B1469 22.397 -62.257 -58.916 1.00 0.00 N ATOM 31593 C2 A B1469 22.476 -63.581 -58.781 1.00 0.00 C ATOM 31594 N3 A B1469 21.528 -64.487 -58.901 1.00 0.00 N ATOM 31595 C4 A B1469 20.343 -63.905 -59.198 1.00 0.00 C ATOM 31596 P A B1470 18.452 -70.026 -62.400 1.00 0.00 P ATOM 31597 O1P A B1470 17.349 -70.322 -61.458 1.00 0.00 O ATOM 31598 O2P A B1470 19.676 -70.843 -62.232 1.00 0.00 O ATOM 31599 O5* A B1470 17.844 -70.087 -64.138 1.00 0.00 O ATOM 31600 C5* A B1470 17.059 -70.540 -65.303 1.00 0.00 C ATOM 31601 C4* A B1470 15.747 -71.424 -64.892 1.00 0.00 C ATOM 31602 O4* A B1470 15.361 -71.165 -63.511 1.00 0.00 O ATOM 31603 C3* A B1470 14.433 -71.807 -65.575 1.00 0.00 C ATOM 31604 O3* A B1470 13.981 -72.093 -67.052 1.00 0.00 O ATOM 31605 C2* A B1470 13.710 -72.579 -64.477 1.00 0.00 C ATOM 31606 O2* A B1470 14.248 -73.882 -64.341 1.00 0.00 O ATOM 31607 C1* A B1470 14.122 -71.801 -63.231 1.00 0.00 C ATOM 31608 N9 A B1470 13.022 -70.624 -62.744 1.00 0.00 N ATOM 31609 C8 A B1470 11.648 -70.661 -62.810 1.00 0.00 C ATOM 31610 N7 A B1470 11.084 -69.529 -62.506 1.00 0.00 N ATOM 31611 C5 A B1470 12.143 -68.685 -62.219 1.00 0.00 C ATOM 31612 C6 A B1470 12.202 -67.338 -61.829 1.00 0.00 C ATOM 31613 N6 A B1470 11.118 -66.574 -61.648 1.00 0.00 N ATOM 31614 N1 A B1470 13.420 -66.806 -61.629 1.00 0.00 N ATOM 31615 C2 A B1470 14.496 -67.574 -61.804 1.00 0.00 C ATOM 31616 N3 A B1470 14.561 -68.838 -62.169 1.00 0.00 N ATOM 31617 C4 A B1470 13.326 -69.345 -62.364 1.00 0.00 C ATOM 31618 P G B1471 12.133 -71.917 -67.330 1.00 0.00 P ATOM 31619 O1P G B1471 11.683 -71.666 -65.942 1.00 0.00 O ATOM 31620 O2P G B1471 11.360 -72.927 -68.084 1.00 0.00 O ATOM 31621 O5* G B1471 12.166 -70.539 -68.145 1.00 0.00 O ATOM 31622 C5* G B1471 12.958 -70.455 -69.343 1.00 0.00 C ATOM 31623 C4* G B1471 14.432 -70.435 -68.988 1.00 0.00 C ATOM 31624 O4* G B1471 15.213 -70.558 -70.211 1.00 0.00 O ATOM 31625 C3* G B1471 14.946 -69.141 -68.353 1.00 0.00 C ATOM 31626 O3* G B1471 14.720 -69.123 -66.976 1.00 0.00 O ATOM 31627 C2* G B1471 16.430 -69.180 -68.705 1.00 0.00 C ATOM 31628 O2* G B1471 17.122 -70.099 -67.877 1.00 0.00 O ATOM 31629 C1* G B1471 16.398 -69.785 -70.105 1.00 0.00 C ATOM 31630 N9 G B1471 16.382 -68.770 -71.193 1.00 0.00 N ATOM 31631 C8 G B1471 15.340 -68.381 -72.011 1.00 0.00 C ATOM 31632 N7 G B1471 15.661 -67.453 -72.880 1.00 0.00 N ATOM 31633 C5 G B1471 17.010 -67.208 -72.624 1.00 0.00 C ATOM 31634 C6 G B1471 17.909 -66.302 -73.243 1.00 0.00 C ATOM 31635 O6 G B1471 17.699 -65.519 -74.162 1.00 0.00 O ATOM 31636 N1 G B1471 19.186 -66.377 -72.671 1.00 0.00 N ATOM 31637 C2 G B1471 19.548 -67.215 -71.634 1.00 0.00 C ATOM 31638 N2 G B1471 20.816 -67.136 -71.230 1.00 0.00 N ATOM 31639 N3 G B1471 18.704 -68.064 -71.053 1.00 0.00 N ATOM 31640 C4 G B1471 17.459 -68.006 -71.597 1.00 0.00 C ATOM 31641 P C B1472 14.394 -67.696 -66.255 1.00 0.00 P ATOM 31642 O1P C B1472 13.832 -67.922 -64.903 1.00 0.00 O ATOM 31643 O2P C B1472 13.574 -66.862 -67.161 1.00 0.00 O ATOM 31644 O5* C B1472 15.865 -67.078 -66.132 1.00 0.00 O ATOM 31645 C5* C B1472 16.856 -67.783 -65.365 1.00 0.00 C ATOM 31646 C4* C B1472 18.199 -67.090 -65.487 1.00 0.00 C ATOM 31647 O4* C B1472 18.677 -67.232 -66.857 1.00 0.00 O ATOM 31648 C3* C B1472 18.190 -65.579 -65.254 1.00 0.00 C ATOM 31649 O3* C B1472 18.272 -65.270 -63.899 1.00 0.00 O ATOM 31650 C2* C B1472 19.423 -65.128 -66.036 1.00 0.00 C ATOM 31651 O2* C B1472 20.609 -65.432 -65.324 1.00 0.00 O ATOM 31652 C1* C B1472 19.377 -66.058 -67.244 1.00 0.00 C ATOM 31653 N1 C B1472 18.679 -65.477 -68.424 1.00 0.00 N ATOM 31654 C2 C B1472 19.342 -64.490 -69.148 1.00 0.00 C ATOM 31655 O2 C B1472 20.471 -64.141 -68.787 1.00 0.00 O ATOM 31656 N3 C B1472 18.722 -63.945 -70.228 1.00 0.00 N ATOM 31657 C4 C B1472 17.497 -64.349 -70.586 1.00 0.00 C ATOM 31658 N4 C B1472 16.935 -63.788 -71.647 1.00 0.00 N ATOM 31659 C5 C B1472 16.798 -65.364 -69.854 1.00 0.00 C ATOM 31660 C6 C B1472 17.434 -65.895 -68.781 1.00 0.00 C ATOM 31661 P G B1473 17.490 -63.946 -63.347 1.00 0.00 P ATOM 31662 O1P G B1473 17.388 -63.991 -61.869 1.00 0.00 O ATOM 31663 O2P G B1473 16.214 -63.787 -64.078 1.00 0.00 O ATOM 31664 O5* G B1473 18.514 -62.792 -63.781 1.00 0.00 O ATOM 31665 C5* G B1473 19.851 -62.811 -63.254 1.00 0.00 C ATOM 31666 C4* G B1473 20.675 -61.711 -63.892 1.00 0.00 C ATOM 31667 O4* G B1473 20.871 -62.024 -65.301 1.00 0.00 O ATOM 31668 C3* G B1473 20.031 -60.323 -63.911 1.00 0.00 C ATOM 31669 O3* G B1473 20.243 -59.645 -62.713 1.00 0.00 O ATOM 31670 C2* G B1473 20.732 -59.661 -65.095 1.00 0.00 C ATOM 31671 O2* G B1473 22.049 -59.265 -64.742 1.00 0.00 O ATOM 31672 C1* G B1473 20.866 -60.830 -66.067 1.00 0.00 C ATOM 31673 N9 G B1473 19.752 -60.920 -67.051 1.00 0.00 N ATOM 31674 C8 G B1473 18.699 -61.806 -67.097 1.00 0.00 C ATOM 31675 N7 G B1473 17.881 -61.615 -68.104 1.00 0.00 N ATOM 31676 C5 G B1473 18.432 -60.521 -68.772 1.00 0.00 C ATOM 31677 C6 G B1473 17.990 -59.850 -69.941 1.00 0.00 C ATOM 31678 O6 G B1473 17.007 -60.083 -70.638 1.00 0.00 O ATOM 31679 N1 G B1473 18.847 -58.791 -70.275 1.00 0.00 N ATOM 31680 C2 G B1473 19.980 -58.428 -69.573 1.00 0.00 C ATOM 31681 N2 G B1473 20.662 -57.388 -70.057 1.00 0.00 N ATOM 31682 N3 G B1473 20.391 -59.060 -68.477 1.00 0.00 N ATOM 31683 C4 G B1473 19.573 -60.090 -68.135 1.00 0.00 C ATOM 31684 P U B1474 19.080 -58.637 -62.165 1.00 0.00 P ATOM 31685 O1P U B1474 19.318 -58.307 -60.742 1.00 0.00 O ATOM 31686 O2P U B1474 17.749 -59.199 -62.486 1.00 0.00 O ATOM 31687 O5* U B1474 19.354 -57.344 -63.069 1.00 0.00 O ATOM 31688 C5* U B1474 20.633 -56.689 -62.985 1.00 0.00 C ATOM 31689 C4* U B1474 20.716 -55.577 -64.011 1.00 0.00 C ATOM 31690 O4* U B1474 20.737 -56.166 -65.343 1.00 0.00 O ATOM 31691 C3* U B1474 19.526 -54.617 -64.052 1.00 0.00 C ATOM 31692 O3* U B1474 19.651 -53.609 -63.101 1.00 0.00 O ATOM 31693 C2* U B1474 19.589 -54.091 -65.483 1.00 0.00 C ATOM 31694 O2* U B1474 20.623 -53.130 -65.619 1.00 0.00 O ATOM 31695 C1* U B1474 20.032 -55.333 -66.249 1.00 0.00 C ATOM 31696 N1 U B1474 18.901 -56.121 -66.817 1.00 0.00 N ATOM 31697 C2 U B1474 18.265 -55.599 -67.918 1.00 0.00 C ATOM 31698 O2 U B1474 18.589 -54.541 -68.430 1.00 0.00 O ATOM 31699 N3 U B1474 17.224 -56.356 -68.415 1.00 0.00 N ATOM 31700 C4 U B1474 16.778 -57.563 -67.914 1.00 0.00 C ATOM 31701 O4 U B1474 15.833 -58.149 -68.447 1.00 0.00 O ATOM 31702 C5 U B1474 17.505 -58.028 -66.758 1.00 0.00 C ATOM 31703 C6 U B1474 18.524 -57.309 -66.252 1.00 0.00 C ATOM 31704 P G B1475 18.225 -52.443 -63.409 1.00 0.00 P ATOM 31705 O1P G B1475 18.682 -51.285 -64.209 1.00 0.00 O ATOM 31706 O2P G B1475 17.518 -52.120 -62.150 1.00 0.00 O ATOM 31707 O5* G B1475 17.185 -53.556 -64.466 1.00 0.00 O ATOM 31708 C5* G B1475 16.470 -54.294 -65.534 1.00 0.00 C ATOM 31709 C4* G B1475 15.047 -53.640 -66.025 1.00 0.00 C ATOM 31710 O4* G B1475 15.018 -52.209 -65.770 1.00 0.00 O ATOM 31711 C3* G B1475 14.185 -53.811 -67.276 1.00 0.00 C ATOM 31712 O3* G B1475 13.562 -55.159 -67.852 1.00 0.00 O ATOM 31713 C2* G B1475 13.096 -52.762 -67.063 1.00 0.00 C ATOM 31714 O2* G B1475 12.154 -53.202 -66.105 1.00 0.00 O ATOM 31715 C1* G B1475 13.891 -51.628 -66.412 1.00 0.00 C ATOM 31716 N9 G B1475 14.452 -50.424 -67.509 1.00 0.00 N ATOM 31717 C8 G B1475 15.713 -49.883 -67.637 1.00 0.00 C ATOM 31718 N7 G B1475 15.788 -48.892 -68.497 1.00 0.00 N ATOM 31719 C5 G B1475 14.483 -48.777 -68.975 1.00 0.00 C ATOM 31720 C6 G B1475 13.938 -47.881 -69.935 1.00 0.00 C ATOM 31721 O6 G B1475 14.506 -46.995 -70.567 1.00 0.00 O ATOM 31722 N1 G B1475 12.570 -48.107 -70.122 1.00 0.00 N ATOM 31723 C2 G B1475 11.820 -49.070 -69.474 1.00 0.00 C ATOM 31724 N2 G B1475 10.526 -49.124 -69.801 1.00 0.00 N ATOM 31725 N3 G B1475 12.333 -49.906 -68.579 1.00 0.00 N ATOM 31726 C4 G B1475 13.663 -49.705 -68.379 1.00 0.00 C ATOM 31727 P U B1476 12.070 -55.017 -68.998 1.00 0.00 P ATOM 31728 O1P U B1476 12.390 -54.016 -70.043 1.00 0.00 O ATOM 31729 O2P U B1476 10.837 -54.766 -68.220 1.00 0.00 O ATOM 31730 O5* U B1476 11.857 -56.693 -69.784 1.00 0.00 O ATOM 31731 C5* U B1476 11.215 -57.805 -70.519 1.00 0.00 C ATOM 31732 C4* U B1476 9.830 -57.678 -71.444 1.00 0.00 C ATOM 31733 O4* U B1476 9.369 -56.297 -71.525 1.00 0.00 O ATOM 31734 C3* U B1476 9.702 -58.192 -72.883 1.00 0.00 C ATOM 31735 O3* U B1476 9.643 -59.748 -73.141 1.00 0.00 O ATOM 31736 C2* U B1476 8.437 -57.487 -73.365 1.00 0.00 C ATOM 31737 O2* U B1476 7.279 -58.105 -72.829 1.00 0.00 O ATOM 31738 C1* U B1476 8.568 -56.127 -72.685 1.00 0.00 C ATOM 31739 N1 U B1476 9.267 -54.926 -73.641 1.00 0.00 N ATOM 31740 C2 U B1476 8.755 -54.757 -74.908 1.00 0.00 C ATOM 31741 O2 U B1476 7.907 -55.498 -75.379 1.00 0.00 O ATOM 31742 N3 U B1476 9.260 -53.687 -75.612 1.00 0.00 N ATOM 31743 C4 U B1476 10.210 -52.792 -75.177 1.00 0.00 C ATOM 31744 O4 U B1476 10.588 -51.868 -75.905 1.00 0.00 O ATOM 31745 C5 U B1476 10.694 -53.048 -73.839 1.00 0.00 C ATOM 31746 C6 U B1476 10.219 -54.084 -73.127 1.00 0.00 C ATOM 31747 P A B1477 10.295 -60.505 -74.712 1.00 0.00 P ATOM 31748 O1P A B1477 11.769 -60.366 -74.688 1.00 0.00 O ATOM 31749 O2P A B1477 9.618 -59.982 -75.921 1.00 0.00 O ATOM 31750 O5* A B1477 10.044 -62.326 -74.478 1.00 0.00 O ATOM 31751 C5* A B1477 11.157 -63.275 -74.480 1.00 0.00 C ATOM 31752 C4* A B1477 11.394 -64.227 -75.790 1.00 0.00 C ATOM 31753 O4* A B1477 12.114 -65.467 -75.545 1.00 0.00 O ATOM 31754 C3* A B1477 10.271 -64.632 -76.742 1.00 0.00 C ATOM 31755 O3* A B1477 8.750 -64.225 -76.710 1.00 0.00 O ATOM 31756 C2* A B1477 10.954 -65.690 -77.606 1.00 0.00 C ATOM 31757 O2* A B1477 11.811 -65.087 -78.561 1.00 0.00 O ATOM 31758 C1* A B1477 11.842 -66.394 -76.585 1.00 0.00 C ATOM 31759 N9 A B1477 11.153 -67.803 -75.887 1.00 0.00 N ATOM 31760 C8 A B1477 10.279 -68.698 -76.458 1.00 0.00 C ATOM 31761 N7 A B1477 9.816 -69.578 -75.628 1.00 0.00 N ATOM 31762 C5 A B1477 10.412 -69.254 -74.422 1.00 0.00 C ATOM 31763 C6 A B1477 10.326 -69.817 -73.139 1.00 0.00 C ATOM 31764 N6 A B1477 9.561 -70.881 -72.846 1.00 0.00 N ATOM 31765 N1 A B1477 11.052 -69.250 -72.160 1.00 0.00 N ATOM 31766 C2 A B1477 11.811 -68.192 -72.454 1.00 0.00 C ATOM 31767 N3 A B1477 11.974 -67.585 -73.608 1.00 0.00 N ATOM 31768 C4 A B1477 11.231 -68.172 -74.572 1.00 0.00 C ATOM 31769 P G B1478 7.731 -65.713 -76.398 1.00 0.00 P ATOM 31770 O1P G B1478 8.590 -66.701 -77.085 1.00 0.00 O ATOM 31771 O2P G B1478 6.273 -65.911 -76.546 1.00 0.00 O ATOM 31772 O5* G B1478 8.112 -65.648 -74.846 1.00 0.00 O ATOM 31773 C5* G B1478 9.278 -66.357 -74.383 1.00 0.00 C ATOM 31774 C4* G B1478 9.520 -66.058 -72.919 1.00 0.00 C ATOM 31775 O4* G B1478 9.904 -64.661 -72.777 1.00 0.00 O ATOM 31776 C3* G B1478 8.303 -66.198 -72.000 1.00 0.00 C ATOM 31777 O3* G B1478 8.116 -67.516 -71.594 1.00 0.00 O ATOM 31778 C2* G B1478 8.667 -65.271 -70.844 1.00 0.00 C ATOM 31779 O2* G B1478 9.626 -65.878 -69.993 1.00 0.00 O ATOM 31780 C1* G B1478 9.376 -64.133 -71.571 1.00 0.00 C ATOM 31781 N9 G B1478 8.479 -62.995 -71.922 1.00 0.00 N ATOM 31782 C8 G B1478 7.968 -62.635 -73.147 1.00 0.00 C ATOM 31783 N7 G B1478 7.203 -61.571 -73.116 1.00 0.00 N ATOM 31784 C5 G B1478 7.207 -61.199 -71.772 1.00 0.00 C ATOM 31785 C6 G B1478 6.560 -60.120 -71.121 1.00 0.00 C ATOM 31786 O6 G B1478 5.834 -59.253 -71.599 1.00 0.00 O ATOM 31787 N1 G B1478 6.833 -60.112 -69.745 1.00 0.00 N ATOM 31788 C2 G B1478 7.632 -61.027 -69.085 1.00 0.00 C ATOM 31789 N2 G B1478 7.771 -60.849 -67.772 1.00 0.00 N ATOM 31790 N3 G B1478 8.241 -62.041 -69.700 1.00 0.00 N ATOM 31791 C4 G B1478 7.986 -62.062 -71.035 1.00 0.00 C ATOM 31792 P G B1479 6.595 -68.061 -71.366 1.00 0.00 P ATOM 31793 O1P G B1479 6.582 -69.539 -71.303 1.00 0.00 O ATOM 31794 O2P G B1479 5.698 -67.452 -72.374 1.00 0.00 O ATOM 31795 O5* G B1479 6.273 -67.454 -69.919 1.00 0.00 O ATOM 31796 C5* G B1479 7.088 -67.847 -68.802 1.00 0.00 C ATOM 31797 C4* G B1479 6.688 -67.063 -67.567 1.00 0.00 C ATOM 31798 O4* G B1479 7.045 -65.664 -67.762 1.00 0.00 O ATOM 31799 C3* G B1479 5.191 -67.022 -67.260 1.00 0.00 C ATOM 31800 O3* G B1479 4.785 -68.150 -66.549 1.00 0.00 O ATOM 31801 C2* G B1479 5.066 -65.735 -66.446 1.00 0.00 C ATOM 31802 O2* G B1479 5.537 -65.929 -65.124 1.00 0.00 O ATOM 31803 C1* G B1479 6.074 -64.831 -67.149 1.00 0.00 C ATOM 31804 N9 G B1479 5.472 -63.969 -68.203 1.00 0.00 N ATOM 31805 C8 G B1479 5.558 -64.086 -69.573 1.00 0.00 C ATOM 31806 N7 G B1479 4.905 -63.154 -70.229 1.00 0.00 N ATOM 31807 C5 G B1479 4.349 -62.368 -69.221 1.00 0.00 C ATOM 31808 C6 G B1479 3.536 -61.209 -69.310 1.00 0.00 C ATOM 31809 O6 G B1479 3.131 -60.628 -70.314 1.00 0.00 O ATOM 31810 N1 G B1479 3.192 -60.725 -68.041 1.00 0.00 N ATOM 31811 C2 G B1479 3.582 -61.289 -66.842 1.00 0.00 C ATOM 31812 N2 G B1479 3.149 -60.675 -65.736 1.00 0.00 N ATOM 31813 N3 G B1479 4.346 -62.374 -66.760 1.00 0.00 N ATOM 31814 C4 G B1479 4.692 -62.856 -67.983 1.00 0.00 C ATOM 31815 P C B1480 3.289 -68.747 -66.812 1.00 0.00 P ATOM 31816 O1P C B1480 3.179 -70.116 -66.265 1.00 0.00 O ATOM 31817 O2P C B1480 2.945 -68.597 -68.245 1.00 0.00 O ATOM 31818 O5* C B1480 2.405 -67.743 -65.936 1.00 0.00 O ATOM 31819 C5* C B1480 2.641 -67.657 -64.519 1.00 0.00 C ATOM 31820 C4* C B1480 1.788 -66.562 -63.912 1.00 0.00 C ATOM 31821 O4* C B1480 2.260 -65.274 -64.402 1.00 0.00 O ATOM 31822 C3* C B1480 0.307 -66.581 -64.299 1.00 0.00 C ATOM 31823 O3* C B1480 -0.421 -67.452 -63.490 1.00 0.00 O ATOM 31824 C2* C B1480 -0.094 -65.120 -64.103 1.00 0.00 C ATOM 31825 O2* C B1480 -0.250 -64.821 -62.725 1.00 0.00 O ATOM 31826 C1* C B1480 1.162 -64.393 -64.576 1.00 0.00 C ATOM 31827 N1 C B1480 1.114 -63.990 -66.009 1.00 0.00 N ATOM 31828 C2 C B1480 0.302 -62.916 -66.357 1.00 0.00 C ATOM 31829 O2 C B1480 -0.342 -62.345 -65.468 1.00 0.00 O ATOM 31830 N3 C B1480 0.246 -62.535 -67.659 1.00 0.00 N ATOM 31831 C4 C B1480 0.959 -63.180 -68.590 1.00 0.00 C ATOM 31832 N4 C B1480 0.870 -62.766 -69.846 1.00 0.00 N ATOM 31833 C5 C B1480 1.802 -64.287 -68.254 1.00 0.00 C ATOM 31834 C6 C B1480 1.844 -64.652 -66.947 1.00 0.00 C ATOM 31835 P U B1481 -2.041 -68.575 -64.562 1.00 0.00 P ATOM 31836 O1P U B1481 -3.113 -69.549 -64.868 1.00 0.00 O ATOM 31837 O2P U B1481 -1.055 -69.007 -63.548 1.00 0.00 O ATOM 31838 O5* U B1481 -2.685 -67.176 -64.131 1.00 0.00 O ATOM 31839 C5* U B1481 -1.815 -66.060 -63.871 1.00 0.00 C ATOM 31840 C4* U B1481 -2.637 -64.813 -63.604 1.00 0.00 C ATOM 31841 O4* U B1481 -3.318 -64.426 -64.831 1.00 0.00 O ATOM 31842 C3* U B1481 -3.771 -64.970 -62.588 1.00 0.00 C ATOM 31843 O3* U B1481 -3.310 -64.822 -61.282 1.00 0.00 O ATOM 31844 C2* U B1481 -4.728 -63.857 -63.007 1.00 0.00 C ATOM 31845 O2* U B1481 -4.252 -62.594 -62.580 1.00 0.00 O ATOM 31846 C1* U B1481 -4.595 -63.892 -64.525 1.00 0.00 C ATOM 31847 N1 U B1481 -5.620 -64.736 -65.198 1.00 0.00 N ATOM 31848 C2 U B1481 -6.898 -64.234 -65.267 1.00 0.00 C ATOM 31849 O2 U B1481 -7.208 -63.148 -64.806 1.00 0.00 O ATOM 31850 N3 U B1481 -7.823 -65.045 -65.899 1.00 0.00 N ATOM 31851 C4 U B1481 -7.580 -66.285 -66.450 1.00 0.00 C ATOM 31852 O4 U B1481 -8.490 -66.919 -66.991 1.00 0.00 O ATOM 31853 C5 U B1481 -6.211 -66.727 -66.331 1.00 0.00 C ATOM 31854 C6 U B1481 -5.293 -65.958 -65.722 1.00 0.00 C ATOM 31855 P G B1482 -4.016 -65.699 -60.098 1.00 0.00 P ATOM 31856 O1P G B1482 -3.173 -65.686 -58.882 1.00 0.00 O ATOM 31857 O2P G B1482 -4.371 -67.036 -60.620 1.00 0.00 O ATOM 31858 O5* G B1482 -5.344 -64.843 -59.844 1.00 0.00 O ATOM 31859 C5* G B1482 -5.224 -63.476 -59.416 1.00 0.00 C ATOM 31860 C4* G B1482 -6.594 -62.828 -59.358 1.00 0.00 C ATOM 31861 O4* G B1482 -7.113 -62.705 -60.714 1.00 0.00 O ATOM 31862 C3* G B1482 -7.673 -63.618 -58.618 1.00 0.00 C ATOM 31863 O3* G B1482 -7.624 -63.394 -57.245 1.00 0.00 O ATOM 31864 C2* G B1482 -8.952 -63.083 -59.260 1.00 0.00 C ATOM 31865 O2* G B1482 -9.269 -61.797 -58.754 1.00 0.00 O ATOM 31866 C1* G B1482 -8.519 -62.898 -60.709 1.00 0.00 C ATOM 31867 N9 G B1482 -8.823 -64.066 -61.580 1.00 0.00 N ATOM 31868 C8 G B1482 -7.969 -65.017 -62.095 1.00 0.00 C ATOM 31869 N7 G B1482 -8.562 -65.923 -62.833 1.00 0.00 N ATOM 31870 C5 G B1482 -9.906 -65.549 -62.806 1.00 0.00 C ATOM 31871 C6 G B1482 -11.035 -66.145 -63.424 1.00 0.00 C ATOM 31872 O6 G B1482 -11.083 -67.146 -64.133 1.00 0.00 O ATOM 31873 N1 G B1482 -12.208 -65.437 -63.134 1.00 0.00 N ATOM 31874 C2 G B1482 -12.284 -64.303 -62.352 1.00 0.00 C ATOM 31875 N2 G B1482 -13.500 -63.776 -62.197 1.00 0.00 N ATOM 31876 N3 G B1482 -11.225 -63.743 -61.775 1.00 0.00 N ATOM 31877 C4 G B1482 -10.074 -64.415 -62.045 1.00 0.00 C ATOM 31878 P G B1483 -8.019 -64.613 -56.235 1.00 0.00 P ATOM 31879 O1P G B1483 -7.559 -64.308 -54.861 1.00 0.00 O ATOM 31880 O2P G B1483 -7.544 -65.894 -56.802 1.00 0.00 O ATOM 31881 O5* G B1483 -9.616 -64.552 -56.298 1.00 0.00 O ATOM 31882 C5* G B1483 -10.285 -63.349 -55.877 1.00 0.00 C ATOM 31883 C4* G B1483 -11.773 -63.464 -56.135 1.00 0.00 C ATOM 31884 O4* G B1483 -12.001 -63.481 -57.575 1.00 0.00 O ATOM 31885 C3* G B1483 -12.436 -64.752 -55.643 1.00 0.00 C ATOM 31886 O3* G B1483 -12.785 -64.667 -54.298 1.00 0.00 O ATOM 31887 C2* G B1483 -13.653 -64.856 -56.561 1.00 0.00 C ATOM 31888 O2* G B1483 -14.664 -63.945 -56.162 1.00 0.00 O ATOM 31889 C1* G B1483 -13.088 -64.338 -57.880 1.00 0.00 C ATOM 31890 N9 G B1483 -12.587 -65.414 -58.780 1.00 0.00 N ATOM 31891 C8 G B1483 -11.286 -65.767 -59.075 1.00 0.00 C ATOM 31892 N7 G B1483 -11.183 -66.771 -59.914 1.00 0.00 N ATOM 31893 C5 G B1483 -12.508 -67.107 -60.193 1.00 0.00 C ATOM 31894 C6 G B1483 -13.036 -68.118 -61.036 1.00 0.00 C ATOM 31895 O6 G B1483 -12.434 -68.939 -61.723 1.00 0.00 O ATOM 31896 N1 G B1483 -14.438 -68.110 -61.027 1.00 0.00 N ATOM 31897 C2 G B1483 -15.226 -67.241 -60.302 1.00 0.00 C ATOM 31898 N2 G B1483 -16.544 -67.396 -60.429 1.00 0.00 N ATOM 31899 N3 G B1483 -14.730 -66.293 -59.510 1.00 0.00 N ATOM 31900 C4 G B1483 -13.370 -66.285 -59.505 1.00 0.00 C ATOM 31901 H8 G B1483 -10.425 -65.346 -58.729 1.00 0.00 H ATOM 31902 H1 G B1483 -14.861 -68.911 -61.559 1.00 0.00 H ATOM 31903 P U B1484 -12.708 -66.015 -53.380 1.00 0.00 P ATOM 31904 O1P U B1484 -12.751 -65.663 -51.946 1.00 0.00 O ATOM 31905 O2P U B1484 -11.553 -66.837 -53.808 1.00 0.00 O ATOM 31906 O5* U B1484 -14.074 -66.742 -53.800 1.00 0.00 O ATOM 31907 C5* U B1484 -15.323 -66.071 -53.556 1.00 0.00 C ATOM 31908 C4* U B1484 -16.467 -66.876 -54.141 1.00 0.00 C ATOM 31909 O4* U B1484 -16.359 -66.860 -55.595 1.00 0.00 O ATOM 31910 C3* U B1484 -16.478 -68.365 -53.791 1.00 0.00 C ATOM 31911 O3* U B1484 -17.085 -68.595 -52.558 1.00 0.00 O ATOM 31912 C2* U B1484 -17.267 -68.960 -54.956 1.00 0.00 C ATOM 31913 O2* U B1484 -18.654 -68.708 -54.804 1.00 0.00 O ATOM 31914 C1* U B1484 -16.784 -68.107 -56.122 1.00 0.00 C ATOM 31915 N1 U B1484 -15.643 -68.703 -56.870 1.00 0.00 N ATOM 31916 C2 U B1484 -15.920 -69.767 -57.693 1.00 0.00 C ATOM 31917 O2 U B1484 -17.043 -70.227 -57.826 1.00 0.00 O ATOM 31918 N3 U B1484 -14.838 -70.296 -58.368 1.00 0.00 N ATOM 31919 C4 U B1484 -13.533 -69.856 -58.290 1.00 0.00 C ATOM 31920 O4 U B1484 -12.645 -70.408 -58.945 1.00 0.00 O ATOM 31921 C5 U B1484 -13.338 -68.734 -57.402 1.00 0.00 C ATOM 31922 C6 U B1484 -14.374 -68.203 -56.732 1.00 0.00 C ATOM 31923 P U B1485 -16.529 -69.816 -51.625 1.00 0.00 P ATOM 31924 O1P U B1485 -17.033 -69.670 -50.242 1.00 0.00 O ATOM 31925 O2P U B1485 -15.062 -69.917 -51.771 1.00 0.00 O ATOM 31926 O5* U B1485 -17.232 -71.070 -52.325 1.00 0.00 O ATOM 31927 C5* U B1485 -18.670 -71.127 -52.380 1.00 0.00 C ATOM 31928 C4* U B1485 -19.112 -72.327 -53.192 1.00 0.00 C ATOM 31929 O4* U B1485 -18.740 -72.119 -54.586 1.00 0.00 O ATOM 31930 C3* U B1485 -18.449 -73.657 -52.830 1.00 0.00 C ATOM 31931 O3* U B1485 -19.094 -74.274 -51.761 1.00 0.00 O ATOM 31932 C2* U B1485 -18.581 -74.447 -54.132 1.00 0.00 C ATOM 31933 O2* U B1485 -19.906 -74.922 -54.299 1.00 0.00 O ATOM 31934 C1* U B1485 -18.366 -73.355 -55.175 1.00 0.00 C ATOM 31935 N1 U B1485 -16.956 -73.238 -55.637 1.00 0.00 N ATOM 31936 C2 U B1485 -16.492 -74.214 -56.485 1.00 0.00 C ATOM 31937 O2 U B1485 -17.180 -75.149 -56.859 1.00 0.00 O ATOM 31938 N3 U B1485 -15.181 -74.073 -56.894 1.00 0.00 N ATOM 31939 C4 U B1485 -14.316 -73.060 -56.533 1.00 0.00 C ATOM 31940 O4 U B1485 -13.159 -73.038 -56.962 1.00 0.00 O ATOM 31941 C5 U B1485 -14.894 -72.083 -55.641 1.00 0.00 C ATOM 31942 C6 U B1485 -16.166 -72.196 -55.227 1.00 0.00 C ATOM 31943 P U B1486 -18.203 -75.153 -50.708 1.00 0.00 P ATOM 31944 O1P U B1486 -18.980 -75.409 -49.472 1.00 0.00 O ATOM 31945 O2P U B1486 -16.886 -74.505 -50.519 1.00 0.00 O ATOM 31946 O5* U B1486 -18.025 -76.514 -51.528 1.00 0.00 O ATOM 31947 C5* U B1486 -19.196 -77.263 -51.899 1.00 0.00 C ATOM 31948 C4* U B1486 -18.805 -78.441 -52.770 1.00 0.00 C ATOM 31949 O4* U B1486 -18.315 -77.938 -54.047 1.00 0.00 O ATOM 31950 C3* U B1486 -17.655 -79.301 -52.246 1.00 0.00 C ATOM 31951 O3* U B1486 -18.104 -80.258 -51.338 1.00 0.00 O ATOM 31952 C2* U B1486 -17.111 -79.921 -53.533 1.00 0.00 C ATOM 31953 O2* U B1486 -17.953 -80.968 -53.984 1.00 0.00 O ATOM 31954 C1* U B1486 -17.266 -78.769 -54.517 1.00 0.00 C ATOM 31955 N1 U B1486 -16.041 -77.929 -54.656 1.00 0.00 N ATOM 31956 C2 U B1486 -14.993 -78.464 -55.362 1.00 0.00 C ATOM 31957 O2 U B1486 -15.029 -79.575 -55.865 1.00 0.00 O ATOM 31958 N3 U B1486 -13.878 -77.655 -55.470 1.00 0.00 N ATOM 31959 C4 U B1486 -13.728 -76.391 -54.942 1.00 0.00 C ATOM 31960 O4 U B1486 -12.678 -75.763 -55.104 1.00 0.00 O ATOM 31961 C5 U B1486 -14.882 -75.915 -54.218 1.00 0.00 C ATOM 31962 C6 U B1486 -15.979 -76.679 -54.098 1.00 0.00 C ATOM 31963 P U B1487 -17.127 -80.682 -50.099 1.00 0.00 P ATOM 31964 O1P U B1487 -17.900 -81.405 -49.067 1.00 0.00 O ATOM 31965 O2P U B1487 -16.381 -79.495 -49.632 1.00 0.00 O ATOM 31966 O5* U B1487 -16.131 -81.695 -50.839 1.00 0.00 O ATOM 31967 C5* U B1487 -16.667 -82.881 -51.451 1.00 0.00 C ATOM 31968 C4* U B1487 -15.575 -83.621 -52.192 1.00 0.00 C ATOM 31969 O4* U B1487 -15.153 -82.823 -53.337 1.00 0.00 O ATOM 31970 C3* U B1487 -14.279 -83.855 -51.411 1.00 0.00 C ATOM 31971 O3* U B1487 -14.363 -84.990 -50.612 1.00 0.00 O ATOM 31972 C2* U B1487 -13.252 -83.997 -52.535 1.00 0.00 C ATOM 31973 O2* U B1487 -13.348 -85.271 -53.145 1.00 0.00 O ATOM 31974 C1* U B1487 -13.761 -82.978 -53.548 1.00 0.00 C ATOM 31975 N1 U B1487 -13.123 -81.638 -53.422 1.00 0.00 N ATOM 31976 C2 U B1487 -11.829 -81.515 -53.868 1.00 0.00 C ATOM 31977 O2 U B1487 -11.203 -82.447 -54.349 1.00 0.00 O ATOM 31978 N3 U B1487 -11.272 -80.259 -53.736 1.00 0.00 N ATOM 31979 C4 U B1487 -11.886 -79.143 -53.209 1.00 0.00 C ATOM 31980 O4 U B1487 -11.283 -78.069 -53.143 1.00 0.00 O ATOM 31981 C5 U B1487 -13.242 -79.369 -52.768 1.00 0.00 C ATOM 31982 C6 U B1487 -13.808 -80.581 -52.884 1.00 0.00 C ATOM 31983 P C B1488 -13.576 -85.002 -49.180 1.00 0.00 P ATOM 31984 O1P C B1488 -14.074 -86.109 -48.331 1.00 0.00 O ATOM 31985 O2P C B1488 -13.635 -83.653 -48.576 1.00 0.00 O ATOM 31986 O5* C B1488 -12.083 -85.316 -49.660 1.00 0.00 O ATOM 31987 C5* C B1488 -11.817 -86.548 -50.360 1.00 0.00 C ATOM 31988 C4* C B1488 -10.378 -86.578 -50.824 1.00 0.00 C ATOM 31989 O4* C B1488 -10.192 -85.569 -51.858 1.00 0.00 O ATOM 31990 C3* C B1488 -9.327 -86.221 -49.772 1.00 0.00 C ATOM 31991 O3* C B1488 -8.990 -87.325 -48.990 1.00 0.00 O ATOM 31992 C2* C B1488 -8.165 -85.729 -50.632 1.00 0.00 C ATOM 31993 O2* C B1488 -7.484 -86.820 -51.229 1.00 0.00 O ATOM 31994 C1* C B1488 -8.899 -84.999 -51.752 1.00 0.00 C ATOM 31995 N1 C B1488 -9.057 -83.539 -51.510 1.00 0.00 N ATOM 31996 C2 C B1488 -7.932 -82.728 -51.652 1.00 0.00 C ATOM 31997 O2 C B1488 -6.861 -83.254 -51.972 1.00 0.00 O ATOM 31998 N3 C B1488 -8.055 -81.395 -51.436 1.00 0.00 N ATOM 31999 C4 C B1488 -9.238 -80.867 -51.089 1.00 0.00 C ATOM 32000 N4 C B1488 -9.306 -79.559 -50.887 1.00 0.00 N ATOM 32001 C5 C B1488 -10.405 -81.680 -50.934 1.00 0.00 C ATOM 32002 C6 C B1488 -10.260 -83.010 -51.158 1.00 0.00 C ATOM 32003 P C B1489 -8.610 -87.090 -47.420 1.00 0.00 P ATOM 32004 O1P C B1489 -8.646 -88.375 -46.688 1.00 0.00 O ATOM 32005 O2P C B1489 -9.456 -86.008 -46.868 1.00 0.00 O ATOM 32006 O5* C B1489 -7.097 -86.582 -47.549 1.00 0.00 O ATOM 32007 C5* C B1489 -6.119 -87.448 -48.151 1.00 0.00 C ATOM 32008 C4* C B1489 -4.795 -86.723 -48.285 1.00 0.00 C ATOM 32009 O4* C B1489 -4.940 -85.658 -49.266 1.00 0.00 O ATOM 32010 C3* C B1489 -4.301 -86.001 -47.028 1.00 0.00 C ATOM 32011 O3* C B1489 -3.623 -86.868 -46.176 1.00 0.00 O ATOM 32012 C2* C B1489 -3.395 -84.921 -47.616 1.00 0.00 C ATOM 32013 O2* C B1489 -2.158 -85.473 -48.027 1.00 0.00 O ATOM 32014 C1* C B1489 -4.154 -84.539 -48.882 1.00 0.00 C ATOM 32015 N1 C B1489 -5.069 -83.376 -48.703 1.00 0.00 N ATOM 32016 C2 C B1489 -4.496 -82.110 -48.607 1.00 0.00 C ATOM 32017 O2 C B1489 -3.266 -82.005 -48.671 1.00 0.00 O ATOM 32018 N3 C B1489 -5.310 -81.037 -48.443 1.00 0.00 N ATOM 32019 C4 C B1489 -6.640 -81.192 -48.377 1.00 0.00 C ATOM 32020 N4 C B1489 -7.391 -80.113 -48.218 1.00 0.00 N ATOM 32021 C5 C B1489 -7.250 -82.484 -48.477 1.00 0.00 C ATOM 32022 C6 C B1489 -6.416 -83.545 -48.637 1.00 0.00 C ATOM 32023 P A B1490 -3.969 -86.839 -44.379 1.00 0.00 P ATOM 32024 O1P A B1490 -5.101 -87.739 -44.057 1.00 0.00 O ATOM 32025 O2P A B1490 -4.041 -85.479 -43.796 1.00 0.00 O ATOM 32026 O5* A B1490 -2.345 -87.594 -44.036 1.00 0.00 O ATOM 32027 C5* A B1490 -0.932 -87.665 -43.760 1.00 0.00 C ATOM 32028 C4* A B1490 -0.489 -86.966 -42.364 1.00 0.00 C ATOM 32029 O4* A B1490 -0.471 -87.771 -41.154 1.00 0.00 O ATOM 32030 C3* A B1490 0.429 -85.786 -42.036 1.00 0.00 C ATOM 32031 O3* A B1490 1.583 -85.143 -42.880 1.00 0.00 O ATOM 32032 C2* A B1490 0.131 -85.549 -40.557 1.00 0.00 C ATOM 32033 O2* A B1490 -1.109 -84.887 -40.392 1.00 0.00 O ATOM 32034 C1* A B1490 -0.058 -86.979 -40.050 1.00 0.00 C ATOM 32035 N9 A B1490 1.316 -87.672 -39.389 1.00 0.00 N ATOM 32036 C8 A B1490 1.869 -88.904 -39.660 1.00 0.00 C ATOM 32037 N7 A B1490 2.819 -89.249 -38.842 1.00 0.00 N ATOM 32038 C5 A B1490 2.914 -88.177 -37.969 1.00 0.00 C ATOM 32039 C6 A B1490 3.741 -87.928 -36.868 1.00 0.00 C ATOM 32040 N6 A B1490 4.685 -88.784 -36.437 1.00 0.00 N ATOM 32041 N1 A B1490 3.577 -86.765 -36.216 1.00 0.00 N ATOM 32042 C2 A B1490 2.645 -85.915 -36.644 1.00 0.00 C ATOM 32043 N3 A B1490 1.815 -86.037 -37.659 1.00 0.00 N ATOM 32044 C4 A B1490 2.006 -87.215 -38.291 1.00 0.00 C ATOM 32045 P G B1491 1.156 -85.133 -44.694 1.00 0.00 P ATOM 32046 O1P G B1491 -0.313 -84.980 -44.616 1.00 0.00 O ATOM 32047 O2P G B1491 1.641 -86.320 -45.436 1.00 0.00 O ATOM 32048 O5* G B1491 1.804 -83.808 -45.311 1.00 0.00 O ATOM 32049 C5* G B1491 2.578 -83.908 -46.523 1.00 0.00 C ATOM 32050 C4* G B1491 2.985 -82.526 -46.996 1.00 0.00 C ATOM 32051 O4* G B1491 1.798 -81.803 -47.421 1.00 0.00 O ATOM 32052 C3* G B1491 3.609 -81.620 -45.934 1.00 0.00 C ATOM 32053 O3* G B1491 4.973 -81.861 -45.789 1.00 0.00 O ATOM 32054 C2* G B1491 3.312 -80.228 -46.488 1.00 0.00 C ATOM 32055 O2* G B1491 4.191 -79.915 -47.559 1.00 0.00 O ATOM 32056 C1* G B1491 1.927 -80.429 -47.095 1.00 0.00 C ATOM 32057 N9 G B1491 0.812 -80.064 -46.175 1.00 0.00 N ATOM 32058 C8 G B1491 -0.050 -80.891 -45.487 1.00 0.00 C ATOM 32059 N7 G B1491 -0.929 -80.249 -44.754 1.00 0.00 N ATOM 32060 C5 G B1491 -0.627 -78.905 -44.975 1.00 0.00 C ATOM 32061 C6 G B1491 -1.236 -77.735 -44.453 1.00 0.00 C ATOM 32062 O6 G B1491 -2.183 -77.638 -43.676 1.00 0.00 O ATOM 32063 N1 G B1491 -0.614 -76.576 -44.938 1.00 0.00 N ATOM 32064 C2 G B1491 0.456 -76.552 -45.813 1.00 0.00 C ATOM 32065 N2 G B1491 0.904 -75.342 -46.155 1.00 0.00 N ATOM 32066 N3 G B1491 1.025 -77.649 -46.300 1.00 0.00 N ATOM 32067 C4 G B1491 0.434 -78.783 -45.841 1.00 0.00 C ATOM 32068 P G B1492 5.649 -81.699 -44.312 1.00 0.00 P ATOM 32069 O1P G B1492 6.982 -82.338 -44.285 1.00 0.00 O ATOM 32070 O2P G B1492 4.691 -82.158 -43.280 1.00 0.00 O ATOM 32071 O5* G B1492 5.811 -80.108 -44.230 1.00 0.00 O ATOM 32072 C5* G B1492 6.630 -79.441 -45.202 1.00 0.00 C ATOM 32073 C4* G B1492 6.542 -77.938 -45.015 1.00 0.00 C ATOM 32074 O4* G B1492 5.196 -77.498 -45.357 1.00 0.00 O ATOM 32075 C3* G B1492 6.737 -77.433 -43.583 1.00 0.00 C ATOM 32076 O3* G B1492 8.087 -77.287 -43.271 1.00 0.00 O ATOM 32077 C2* G B1492 5.991 -76.102 -43.608 1.00 0.00 C ATOM 32078 O2* G B1492 6.754 -75.109 -44.274 1.00 0.00 O ATOM 32079 C1* G B1492 4.805 -76.431 -44.511 1.00 0.00 C ATOM 32080 N9 G B1492 3.586 -76.856 -43.766 1.00 0.00 N ATOM 32081 C8 G B1492 3.041 -78.117 -43.636 1.00 0.00 C ATOM 32082 N7 G B1492 1.951 -78.151 -42.906 1.00 0.00 N ATOM 32083 C5 G B1492 1.762 -76.824 -42.526 1.00 0.00 C ATOM 32084 C6 G B1492 0.748 -76.236 -41.730 1.00 0.00 C ATOM 32085 O6 G B1492 -0.210 -76.777 -41.183 1.00 0.00 O ATOM 32086 N1 G B1492 0.936 -74.853 -41.594 1.00 0.00 N ATOM 32087 C2 G B1492 1.971 -74.133 -42.158 1.00 0.00 C ATOM 32088 N2 G B1492 1.974 -72.819 -41.913 1.00 0.00 N ATOM 32089 N3 G B1492 2.922 -74.683 -42.907 1.00 0.00 N ATOM 32090 C4 G B1492 2.755 -76.026 -43.047 1.00 0.00 C ATOM 32091 P C B1493 9.266 -78.681 -43.350 1.00 0.00 P ATOM 32092 O1P C B1493 10.592 -78.266 -42.830 1.00 0.00 O ATOM 32093 O2P C B1493 9.278 -79.366 -44.660 1.00 0.00 O ATOM 32094 O5* C B1493 8.297 -79.591 -42.117 1.00 0.00 O ATOM 32095 C5* C B1493 6.973 -79.335 -41.642 1.00 0.00 C ATOM 32096 C4* C B1493 6.898 -78.971 -40.073 1.00 0.00 C ATOM 32097 O4* C B1493 7.263 -77.642 -39.597 1.00 0.00 O ATOM 32098 C3* C B1493 5.707 -79.356 -39.198 1.00 0.00 C ATOM 32099 O3* C B1493 5.126 -80.761 -39.301 1.00 0.00 O ATOM 32100 C2* C B1493 6.079 -78.733 -37.855 1.00 0.00 C ATOM 32101 O2* C B1493 7.065 -79.510 -37.197 1.00 0.00 O ATOM 32102 C1* C B1493 6.752 -77.442 -38.293 1.00 0.00 C ATOM 32103 N1 C B1493 5.723 -76.074 -38.322 1.00 0.00 N ATOM 32104 C2 C B1493 5.410 -75.470 -37.104 1.00 0.00 C ATOM 32105 O2 C B1493 5.881 -75.948 -36.064 1.00 0.00 O ATOM 32106 N3 C B1493 4.599 -74.385 -37.106 1.00 0.00 N ATOM 32107 C4 C B1493 4.107 -73.899 -38.255 1.00 0.00 C ATOM 32108 N4 C B1493 3.317 -72.838 -38.202 1.00 0.00 N ATOM 32109 C5 C B1493 4.417 -74.507 -39.515 1.00 0.00 C ATOM 32110 C6 C B1493 5.232 -75.592 -39.492 1.00 0.00 C ATOM 32111 P A B1494 3.418 -80.825 -39.962 1.00 0.00 P ATOM 32112 O1P A B1494 3.380 -80.725 -41.436 1.00 0.00 O ATOM 32113 O2P A B1494 2.505 -79.916 -39.227 1.00 0.00 O ATOM 32114 O5* A B1494 3.231 -82.539 -39.377 1.00 0.00 O ATOM 32115 C5* A B1494 2.611 -83.515 -38.524 1.00 0.00 C ATOM 32116 C4* A B1494 1.677 -82.894 -37.338 1.00 0.00 C ATOM 32117 O4* A B1494 2.322 -82.011 -36.379 1.00 0.00 O ATOM 32118 C3* A B1494 0.334 -82.223 -37.620 1.00 0.00 C ATOM 32119 O3* A B1494 -0.710 -83.139 -38.281 1.00 0.00 O ATOM 32120 C2* A B1494 -0.023 -81.638 -36.256 1.00 0.00 C ATOM 32121 O2* A B1494 -0.489 -82.652 -35.379 1.00 0.00 O ATOM 32122 C1* A B1494 1.348 -81.199 -35.738 1.00 0.00 C ATOM 32123 N9 A B1494 1.727 -79.580 -36.035 1.00 0.00 N ATOM 32124 C8 A B1494 2.721 -79.067 -36.839 1.00 0.00 C ATOM 32125 N7 A B1494 2.881 -77.787 -36.725 1.00 0.00 N ATOM 32126 C5 A B1494 1.939 -77.410 -35.783 1.00 0.00 C ATOM 32127 C6 A B1494 1.599 -76.166 -35.222 1.00 0.00 C ATOM 32128 N6 A B1494 2.214 -75.017 -35.552 1.00 0.00 N ATOM 32129 N1 A B1494 0.609 -76.149 -34.312 1.00 0.00 N ATOM 32130 C2 A B1494 0.007 -77.288 -33.990 1.00 0.00 C ATOM 32131 N3 A B1494 0.231 -78.501 -34.447 1.00 0.00 N ATOM 32132 C4 A B1494 1.229 -78.497 -35.357 1.00 0.00 C ATOM 32133 P A B1495 -2.323 -82.378 -38.690 1.00 0.00 P ATOM 32134 O1P A B1495 -2.730 -82.691 -40.077 1.00 0.00 O ATOM 32135 O2P A B1495 -2.381 -80.945 -38.308 1.00 0.00 O ATOM 32136 O5* A B1495 -3.210 -83.442 -37.501 1.00 0.00 O ATOM 32137 C5* A B1495 -4.445 -84.083 -37.122 1.00 0.00 C ATOM 32138 C4* A B1495 -4.622 -84.316 -35.517 1.00 0.00 C ATOM 32139 O4* A B1495 -3.864 -85.412 -34.934 1.00 0.00 O ATOM 32140 C3* A B1495 -4.453 -83.176 -34.512 1.00 0.00 C ATOM 32141 O3* A B1495 -5.221 -81.861 -34.726 1.00 0.00 O ATOM 32142 C2* A B1495 -4.450 -83.921 -33.176 1.00 0.00 C ATOM 32143 O2* A B1495 -5.767 -84.312 -32.821 1.00 0.00 O ATOM 32144 C1* A B1495 -3.692 -85.199 -33.541 1.00 0.00 C ATOM 32145 N9 A B1495 -2.043 -85.156 -33.211 1.00 0.00 N ATOM 32146 C8 A B1495 -0.992 -85.387 -34.072 1.00 0.00 C ATOM 32147 N7 A B1495 0.169 -85.428 -33.484 1.00 0.00 N ATOM 32148 C5 A B1495 -0.123 -85.206 -32.147 1.00 0.00 C ATOM 32149 C6 A B1495 0.681 -85.129 -31.001 1.00 0.00 C ATOM 32150 N6 A B1495 2.012 -85.274 -31.024 1.00 0.00 N ATOM 32151 N1 A B1495 0.068 -84.898 -29.827 1.00 0.00 N ATOM 32152 C2 A B1495 -1.256 -84.752 -29.808 1.00 0.00 C ATOM 32153 N3 A B1495 -2.108 -84.804 -30.810 1.00 0.00 N ATOM 32154 C4 A B1495 -1.470 -85.039 -31.971 1.00 0.00 C ATOM 32155 P A B1496 -6.938 -81.648 -34.121 1.00 0.00 P ATOM 32156 O1P A B1496 -6.978 -80.960 -32.809 1.00 0.00 O ATOM 32157 O2P A B1496 -7.741 -82.888 -34.222 1.00 0.00 O ATOM 32158 O5* A B1496 -7.327 -80.480 -35.465 1.00 0.00 O ATOM 32159 C5* A B1496 -7.819 -79.133 -35.566 1.00 0.00 C ATOM 32160 C4* A B1496 -7.093 -78.274 -36.738 1.00 0.00 C ATOM 32161 O4* A B1496 -5.884 -78.844 -37.315 1.00 0.00 O ATOM 32162 C3* A B1496 -7.861 -77.744 -37.948 1.00 0.00 C ATOM 32163 O3* A B1496 -9.243 -77.130 -37.822 1.00 0.00 O ATOM 32164 C2* A B1496 -6.737 -77.236 -38.846 1.00 0.00 C ATOM 32165 O2* A B1496 -6.227 -76.004 -38.376 1.00 0.00 O ATOM 32166 C1* A B1496 -5.651 -78.285 -38.601 1.00 0.00 C ATOM 32167 N9 A B1496 -5.619 -79.542 -39.729 1.00 0.00 N ATOM 32168 C8 A B1496 -6.014 -80.850 -39.562 1.00 0.00 C ATOM 32169 N7 A B1496 -5.698 -81.627 -40.553 1.00 0.00 N ATOM 32170 C5 A B1496 -5.049 -80.782 -41.444 1.00 0.00 C ATOM 32171 C6 A B1496 -4.468 -81.001 -42.707 1.00 0.00 C ATOM 32172 N6 A B1496 -4.444 -82.198 -43.311 1.00 0.00 N ATOM 32173 N1 A B1496 -3.905 -79.942 -43.317 1.00 0.00 N ATOM 32174 C2 A B1496 -3.932 -78.759 -42.716 1.00 0.00 C ATOM 32175 N3 A B1496 -4.446 -78.434 -41.546 1.00 0.00 N ATOM 32176 C4 A B1496 -5.001 -79.514 -40.952 1.00 0.00 C ATOM 32177 P U B1497 -9.505 -75.399 -37.255 1.00 0.00 P ATOM 32178 O1P U B1497 -10.727 -75.329 -36.419 1.00 0.00 O ATOM 32179 O2P U B1497 -9.446 -74.456 -38.390 1.00 0.00 O ATOM 32180 O5* U B1497 -8.012 -75.274 -36.207 1.00 0.00 O ATOM 32181 C5* U B1497 -7.010 -74.243 -36.162 1.00 0.00 C ATOM 32182 C4* U B1497 -6.947 -73.275 -34.818 1.00 0.00 C ATOM 32183 O4* U B1497 -6.833 -74.142 -33.653 1.00 0.00 O ATOM 32184 C3* U B1497 -5.804 -72.275 -34.646 1.00 0.00 C ATOM 32185 O3* U B1497 -5.851 -70.901 -35.413 1.00 0.00 O ATOM 32186 C2* U B1497 -5.776 -72.081 -33.132 1.00 0.00 C ATOM 32187 O2* U B1497 -6.836 -71.238 -32.713 1.00 0.00 O ATOM 32188 C1* U B1497 -6.095 -73.484 -32.633 1.00 0.00 C ATOM 32189 N1 U B1497 -4.739 -74.427 -32.265 1.00 0.00 N ATOM 32190 C2 U B1497 -3.720 -73.817 -31.570 1.00 0.00 C ATOM 32191 O2 U B1497 -3.781 -72.665 -31.181 1.00 0.00 O ATOM 32192 N3 U B1497 -2.604 -74.602 -31.338 1.00 0.00 N ATOM 32193 C4 U B1497 -2.431 -75.911 -31.730 1.00 0.00 C ATOM 32194 O4 U B1497 -1.386 -76.513 -31.463 1.00 0.00 O ATOM 32195 C5 U B1497 -3.549 -76.463 -32.455 1.00 0.00 C ATOM 32196 C6 U B1497 -4.646 -75.726 -32.695 1.00 0.00 C ATOM 32197 P C B1498 -6.757 -70.855 -37.017 1.00 0.00 P ATOM 32198 O1P C B1498 -7.929 -69.958 -37.146 1.00 0.00 O ATOM 32199 O2P C B1498 -7.008 -72.285 -37.290 1.00 0.00 O ATOM 32200 O5* C B1498 -5.568 -70.326 -37.950 1.00 0.00 O ATOM 32201 C5* C B1498 -5.099 -68.976 -37.785 1.00 0.00 C ATOM 32202 C4* C B1498 -3.893 -68.733 -38.670 1.00 0.00 C ATOM 32203 O4* C B1498 -2.777 -69.532 -38.182 1.00 0.00 O ATOM 32204 C3* C B1498 -4.046 -69.166 -40.130 1.00 0.00 C ATOM 32205 O3* C B1498 -4.675 -68.186 -40.892 1.00 0.00 O ATOM 32206 C2* C B1498 -2.595 -69.393 -40.547 1.00 0.00 C ATOM 32207 O2* C B1498 -1.936 -68.158 -40.772 1.00 0.00 O ATOM 32208 C1* C B1498 -1.999 -69.988 -39.275 1.00 0.00 C ATOM 32209 N1 C B1498 -2.003 -71.479 -39.253 1.00 0.00 N ATOM 32210 C2 C B1498 -1.079 -72.144 -40.054 1.00 0.00 C ATOM 32211 O2 C B1498 -0.298 -71.474 -40.744 1.00 0.00 O ATOM 32212 N3 C B1498 -1.067 -73.500 -40.046 1.00 0.00 N ATOM 32213 C4 C B1498 -1.927 -74.189 -39.284 1.00 0.00 C ATOM 32214 N4 C B1498 -1.874 -75.510 -39.313 1.00 0.00 N ATOM 32215 C5 C B1498 -2.886 -73.522 -38.452 1.00 0.00 C ATOM 32216 C6 C B1498 -2.882 -72.166 -38.474 1.00 0.00 C ATOM 32217 P C B1499 -5.649 -68.649 -42.118 1.00 0.00 P ATOM 32218 O1P C B1499 -6.493 -67.514 -42.556 1.00 0.00 O ATOM 32219 O2P C B1499 -6.372 -69.879 -41.734 1.00 0.00 O ATOM 32220 O5* C B1499 -4.567 -68.986 -43.250 1.00 0.00 O ATOM 32221 C5* C B1499 -3.689 -67.943 -43.708 1.00 0.00 C ATOM 32222 C4* C B1499 -2.671 -68.509 -44.678 1.00 0.00 C ATOM 32223 O4* C B1499 -1.776 -69.401 -43.954 1.00 0.00 O ATOM 32224 C3* C B1499 -3.236 -69.384 -45.797 1.00 0.00 C ATOM 32225 O3* C B1499 -3.680 -68.617 -46.873 1.00 0.00 O ATOM 32226 C2* C B1499 -2.039 -70.260 -46.154 1.00 0.00 C ATOM 32227 O2* C B1499 -1.095 -69.535 -46.926 1.00 0.00 O ATOM 32228 C1* C B1499 -1.406 -70.492 -44.784 1.00 0.00 C ATOM 32229 N1 C B1499 -1.859 -71.747 -44.122 1.00 0.00 N ATOM 32230 C2 C B1499 -1.359 -72.953 -44.608 1.00 0.00 C ATOM 32231 O2 C B1499 -0.569 -72.930 -45.559 1.00 0.00 O ATOM 32232 N3 C B1499 -1.757 -74.108 -44.016 1.00 0.00 N ATOM 32233 C4 C B1499 -2.614 -74.090 -42.985 1.00 0.00 C ATOM 32234 N4 C B1499 -2.970 -75.245 -42.448 1.00 0.00 N ATOM 32235 C5 C B1499 -3.138 -72.861 -42.472 1.00 0.00 C ATOM 32236 C6 C B1499 -2.729 -71.717 -43.076 1.00 0.00 C ATOM 32237 P G B1500 -4.080 -69.680 -48.468 1.00 0.00 P ATOM 32238 O1P G B1500 -3.745 -68.479 -49.261 1.00 0.00 O ATOM 32239 O2P G B1500 -5.481 -70.150 -48.573 1.00 0.00 O ATOM 32240 O5* G B1500 -3.080 -70.874 -48.839 1.00 0.00 O ATOM 32241 C5* G B1500 -1.662 -70.659 -48.718 1.00 0.00 C ATOM 32242 C4* G B1500 -0.917 -71.947 -48.998 1.00 0.00 C ATOM 32243 O4* G B1500 -1.199 -72.897 -47.931 1.00 0.00 O ATOM 32244 C3* G B1500 -1.328 -72.690 -50.270 1.00 0.00 C ATOM 32245 O3* G B1500 -0.669 -72.187 -51.391 1.00 0.00 O ATOM 32246 C2* G B1500 -0.923 -74.127 -49.943 1.00 0.00 C ATOM 32247 O2* G B1500 0.479 -74.294 -50.060 1.00 0.00 O ATOM 32248 C1* G B1500 -1.259 -74.212 -48.458 1.00 0.00 C ATOM 32249 N9 G B1500 -2.618 -74.757 -48.185 1.00 0.00 N ATOM 32250 C8 G B1500 -3.756 -74.095 -47.769 1.00 0.00 C ATOM 32251 N7 G B1500 -4.800 -74.873 -47.618 1.00 0.00 N ATOM 32252 C5 G B1500 -4.321 -76.140 -47.954 1.00 0.00 C ATOM 32253 C6 G B1500 -4.989 -77.392 -47.980 1.00 0.00 C ATOM 32254 O6 G B1500 -6.159 -77.645 -47.707 1.00 0.00 O ATOM 32255 N1 G B1500 -4.128 -78.423 -48.382 1.00 0.00 N ATOM 32256 C2 G B1500 -2.797 -78.264 -48.713 1.00 0.00 C ATOM 32257 N2 G B1500 -2.146 -79.373 -49.072 1.00 0.00 N ATOM 32258 N3 G B1500 -2.171 -77.089 -48.689 1.00 0.00 N ATOM 32259 C4 G B1500 -2.991 -76.077 -48.301 1.00 0.00 C ATOM 32260 P G B1501 -1.453 -72.178 -52.823 1.00 0.00 P ATOM 32261 O1P G B1501 -0.755 -71.293 -53.783 1.00 0.00 O ATOM 32262 O2P G B1501 -2.886 -71.885 -52.597 1.00 0.00 O ATOM 32263 O5* G B1501 -1.279 -73.703 -53.271 1.00 0.00 O ATOM 32264 C5* G B1501 0.049 -74.230 -53.457 1.00 0.00 C ATOM 32265 C4* G B1501 -0.019 -75.715 -53.753 1.00 0.00 C ATOM 32266 O4* G B1501 -0.484 -76.413 -52.562 1.00 0.00 O ATOM 32267 C3* G B1501 -1.012 -76.132 -54.839 1.00 0.00 C ATOM 32268 O3* G B1501 -0.463 -76.009 -56.113 1.00 0.00 O ATOM 32269 C2* G B1501 -1.307 -77.582 -54.461 1.00 0.00 C ATOM 32270 O2* G B1501 -0.232 -78.427 -54.837 1.00 0.00 O ATOM 32271 C1* G B1501 -1.300 -77.512 -52.936 1.00 0.00 C ATOM 32272 N9 G B1501 -2.649 -77.311 -52.340 1.00 0.00 N ATOM 32273 C8 G B1501 -3.188 -76.176 -51.776 1.00 0.00 C ATOM 32274 N7 G B1501 -4.417 -76.330 -51.340 1.00 0.00 N ATOM 32275 C5 G B1501 -4.710 -77.659 -51.639 1.00 0.00 C ATOM 32276 C6 G B1501 -5.893 -78.408 -51.408 1.00 0.00 C ATOM 32277 O6 G B1501 -6.941 -78.048 -50.881 1.00 0.00 O ATOM 32278 N1 G B1501 -5.762 -79.726 -51.872 1.00 0.00 N ATOM 32279 C2 G B1501 -4.639 -80.250 -52.477 1.00 0.00 C ATOM 32280 N2 G B1501 -4.715 -81.530 -52.847 1.00 0.00 N ATOM 32281 N3 G B1501 -3.530 -79.546 -52.696 1.00 0.00 N ATOM 32282 C4 G B1501 -3.637 -78.266 -52.250 1.00 0.00 C ATOM 32283 P A B1502 -1.437 -75.587 -57.350 1.00 0.00 P ATOM 32284 O1P A B1502 -0.630 -75.153 -58.512 1.00 0.00 O ATOM 32285 O2P A B1502 -2.448 -74.617 -56.872 1.00 0.00 O ATOM 32286 O5* A B1502 -2.140 -76.988 -57.670 1.00 0.00 O ATOM 32287 C5* A B1502 -1.321 -78.104 -58.070 1.00 0.00 C ATOM 32288 C4* A B1502 -2.172 -79.351 -58.199 1.00 0.00 C ATOM 32289 O4* A B1502 -2.642 -79.742 -56.877 1.00 0.00 O ATOM 32290 C3* A B1502 -3.458 -79.199 -59.014 1.00 0.00 C ATOM 32291 O3* A B1502 -3.217 -79.348 -60.379 1.00 0.00 O ATOM 32292 C2* A B1502 -4.331 -80.313 -58.445 1.00 0.00 C ATOM 32293 O2* A B1502 -3.926 -81.577 -58.946 1.00 0.00 O ATOM 32294 C1* A B1502 -3.952 -80.282 -56.966 1.00 0.00 C ATOM 32295 N9 A B1502 -4.855 -79.437 -56.137 1.00 0.00 N ATOM 32296 C8 A B1502 -4.623 -78.197 -55.590 1.00 0.00 C ATOM 32297 N7 A B1502 -5.624 -77.726 -54.910 1.00 0.00 N ATOM 32298 C5 A B1502 -6.591 -78.715 -55.006 1.00 0.00 C ATOM 32299 C6 A B1502 -7.896 -78.819 -54.496 1.00 0.00 C ATOM 32300 N6 A B1502 -8.474 -77.868 -53.749 1.00 0.00 N ATOM 32301 N1 A B1502 -8.583 -79.939 -54.782 1.00 0.00 N ATOM 32302 C2 A B1502 -8.005 -80.879 -55.526 1.00 0.00 C ATOM 32303 N3 A B1502 -6.800 -80.895 -56.055 1.00 0.00 N ATOM 32304 C4 A B1502 -6.130 -79.761 -55.754 1.00 0.00 C ATOM 32305 P A B1503 -4.108 -78.473 -61.431 1.00 0.00 P ATOM 32306 O1P A B1503 -3.477 -78.482 -62.769 1.00 0.00 O ATOM 32307 O2P A B1503 -4.377 -77.138 -60.858 1.00 0.00 O ATOM 32308 O5* A B1503 -5.461 -79.330 -61.466 1.00 0.00 O ATOM 32309 C5* A B1503 -5.408 -80.699 -61.907 1.00 0.00 C ATOM 32310 C4* A B1503 -6.766 -81.351 -61.740 1.00 0.00 C ATOM 32311 O4* A B1503 -7.056 -81.475 -60.318 1.00 0.00 O ATOM 32312 C3* A B1503 -7.956 -80.562 -62.292 1.00 0.00 C ATOM 32313 O3* A B1503 -8.132 -80.788 -63.654 1.00 0.00 O ATOM 32314 C2* A B1503 -9.111 -81.100 -61.450 1.00 0.00 C ATOM 32315 O2* A B1503 -9.501 -82.388 -61.898 1.00 0.00 O ATOM 32316 C1* A B1503 -8.444 -81.285 -60.091 1.00 0.00 C ATOM 32317 N9 A B1503 -8.607 -80.117 -59.183 1.00 0.00 N ATOM 32318 C8 A B1503 -7.679 -79.167 -58.818 1.00 0.00 C ATOM 32319 N7 A B1503 -8.137 -78.271 -58.000 1.00 0.00 N ATOM 32320 C5 A B1503 -9.460 -78.640 -57.802 1.00 0.00 C ATOM 32321 C6 A B1503 -10.496 -78.086 -57.032 1.00 0.00 C ATOM 32322 N6 A B1503 -10.350 -76.986 -56.279 1.00 0.00 N ATOM 32323 N1 A B1503 -11.690 -78.706 -57.063 1.00 0.00 N ATOM 32324 C2 A B1503 -11.828 -79.798 -57.811 1.00 0.00 C ATOM 32325 N3 A B1503 -10.939 -80.405 -58.567 1.00 0.00 N ATOM 32326 C4 A B1503 -9.752 -79.764 -58.521 1.00 0.00 C ATOM 32327 P A B1504 -8.687 -79.569 -64.587 1.00 0.00 P ATOM 32328 O1P A B1504 -8.458 -79.874 -66.019 1.00 0.00 O ATOM 32329 O2P A B1504 -8.129 -78.287 -64.105 1.00 0.00 O ATOM 32330 O5* A B1504 -10.253 -79.634 -64.264 1.00 0.00 O ATOM 32331 C5* A B1504 -10.980 -80.839 -64.572 1.00 0.00 C ATOM 32332 C4* A B1504 -12.406 -80.727 -64.071 1.00 0.00 C ATOM 32333 O4* A B1504 -12.394 -80.712 -62.615 1.00 0.00 O ATOM 32334 C3* A B1504 -13.144 -79.441 -64.446 1.00 0.00 C ATOM 32335 O3* A B1504 -13.708 -79.528 -65.718 1.00 0.00 O ATOM 32336 C2* A B1504 -14.193 -79.341 -63.342 1.00 0.00 C ATOM 32337 O2* A B1504 -15.254 -80.253 -63.572 1.00 0.00 O ATOM 32338 C1* A B1504 -13.419 -79.857 -62.133 1.00 0.00 C ATOM 32339 N9 A B1504 -12.778 -78.780 -61.330 1.00 0.00 N ATOM 32340 C8 A B1504 -11.449 -78.426 -61.253 1.00 0.00 C ATOM 32341 N7 A B1504 -11.213 -77.432 -60.452 1.00 0.00 N ATOM 32342 C5 A B1504 -12.465 -77.096 -59.958 1.00 0.00 C ATOM 32343 C6 A B1504 -12.894 -76.111 -59.053 1.00 0.00 C ATOM 32344 N6 A B1504 -12.061 -75.242 -58.457 1.00 0.00 N ATOM 32345 N1 A B1504 -14.212 -76.050 -58.779 1.00 0.00 N ATOM 32346 C2 A B1504 -15.031 -76.914 -59.374 1.00 0.00 C ATOM 32347 N3 A B1504 -14.747 -77.872 -60.231 1.00 0.00 N ATOM 32348 C4 A B1504 -13.422 -77.912 -60.486 1.00 0.00 C ATOM 32349 P A B1505 -13.783 -78.179 -66.634 1.00 0.00 P ATOM 32350 O1P A B1505 -14.061 -78.534 -68.043 1.00 0.00 O ATOM 32351 O2P A B1505 -12.576 -77.355 -66.401 1.00 0.00 O ATOM 32352 O5* A B1505 -15.063 -77.456 -65.998 1.00 0.00 O ATOM 32353 C5* A B1505 -16.335 -78.130 -66.032 1.00 0.00 C ATOM 32354 C4* A B1505 -17.369 -77.328 -65.268 1.00 0.00 C ATOM 32355 O4* A B1505 -17.026 -77.344 -63.854 1.00 0.00 O ATOM 32356 C3* A B1505 -17.443 -75.841 -65.614 1.00 0.00 C ATOM 32357 O3* A B1505 -18.244 -75.614 -66.730 1.00 0.00 O ATOM 32358 C2* A B1505 -18.032 -75.247 -64.334 1.00 0.00 C ATOM 32359 O2* A B1505 -19.423 -75.503 -64.256 1.00 0.00 O ATOM 32360 C1* A B1505 -17.363 -76.099 -63.264 1.00 0.00 C ATOM 32361 N9 A B1505 -16.116 -75.497 -62.713 1.00 0.00 N ATOM 32362 C8 A B1505 -14.807 -75.859 -62.939 1.00 0.00 C ATOM 32363 N7 A B1505 -13.939 -75.131 -62.304 1.00 0.00 N ATOM 32364 C5 A B1505 -14.719 -74.220 -61.603 1.00 0.00 C ATOM 32365 C6 A B1505 -14.393 -73.167 -60.733 1.00 0.00 C ATOM 32366 N6 A B1505 -13.136 -72.843 -60.405 1.00 0.00 N ATOM 32367 N1 A B1505 -15.412 -72.461 -60.208 1.00 0.00 N ATOM 32368 C2 A B1505 -16.660 -72.789 -60.538 1.00 0.00 C ATOM 32369 N3 A B1505 -17.083 -73.746 -61.336 1.00 0.00 N ATOM 32370 C4 A B1505 -16.046 -74.439 -61.847 1.00 0.00 C ATOM 32371 P U B1506 -17.854 -74.389 -67.741 1.00 0.00 P ATOM 32372 O1P U B1506 -18.576 -74.537 -69.024 1.00 0.00 O ATOM 32373 O2P U B1506 -16.381 -74.283 -67.838 1.00 0.00 O ATOM 32374 O5* U B1506 -18.434 -73.136 -66.933 1.00 0.00 O ATOM 32375 C5* U B1506 -19.844 -73.083 -66.645 1.00 0.00 C ATOM 32376 C4* U B1506 -20.149 -71.882 -65.770 1.00 0.00 C ATOM 32377 O4* U B1506 -19.552 -72.093 -64.459 1.00 0.00 O ATOM 32378 C3* U B1506 -19.558 -70.553 -66.237 1.00 0.00 C ATOM 32379 O3* U B1506 -20.371 -69.937 -67.188 1.00 0.00 O ATOM 32380 C2* U B1506 -19.478 -69.764 -64.932 1.00 0.00 C ATOM 32381 O2* U B1506 -20.757 -69.291 -64.549 1.00 0.00 O ATOM 32382 C1* U B1506 -19.093 -70.856 -63.938 1.00 0.00 C ATOM 32383 N1 U B1506 -17.625 -70.968 -63.713 1.00 0.00 N ATOM 32384 C2 U B1506 -17.031 -69.989 -62.951 1.00 0.00 C ATOM 32385 O2 U B1506 -17.652 -69.056 -62.471 1.00 0.00 O ATOM 32386 N3 U B1506 -15.670 -70.127 -62.764 1.00 0.00 N ATOM 32387 C4 U B1506 -14.873 -71.139 -63.261 1.00 0.00 C ATOM 32388 O4 U B1506 -13.661 -71.156 -63.025 1.00 0.00 O ATOM 32389 C5 U B1506 -15.585 -72.120 -64.048 1.00 0.00 C ATOM 32390 C6 U B1506 -16.909 -72.007 -64.246 1.00 0.00 C ATOM 32391 P C B1507 -19.669 -69.058 -68.371 1.00 0.00 P ATOM 32392 O1P C B1507 -20.634 -68.804 -69.461 1.00 0.00 O ATOM 32393 O2P C B1507 -18.396 -69.702 -68.771 1.00 0.00 O ATOM 32394 O5* C B1507 -19.360 -67.694 -67.590 1.00 0.00 O ATOM 32395 C5* C B1507 -20.458 -66.949 -67.031 1.00 0.00 C ATOM 32396 C4* C B1507 -19.931 -65.770 -66.235 1.00 0.00 C ATOM 32397 O4* C B1507 -19.237 -66.270 -65.056 1.00 0.00 O ATOM 32398 C3* C B1507 -18.884 -64.907 -66.939 1.00 0.00 C ATOM 32399 O3* C B1507 -19.478 -63.952 -67.763 1.00 0.00 O ATOM 32400 C2* C B1507 -18.137 -64.287 -65.762 1.00 0.00 C ATOM 32401 O2* C B1507 -18.898 -63.242 -65.179 1.00 0.00 O ATOM 32402 C1* C B1507 -18.128 -65.439 -64.763 1.00 0.00 C ATOM 32403 N1 C B1507 -16.895 -66.274 -64.827 1.00 0.00 N ATOM 32404 C2 C B1507 -15.722 -65.744 -64.299 1.00 0.00 C ATOM 32405 O2 C B1507 -15.749 -64.611 -63.804 1.00 0.00 O ATOM 32406 N3 C B1507 -14.588 -66.490 -64.349 1.00 0.00 N ATOM 32407 C4 C B1507 -14.599 -67.712 -64.895 1.00 0.00 C ATOM 32408 N4 C B1507 -13.468 -68.400 -64.916 1.00 0.00 N ATOM 32409 C5 C B1507 -15.797 -68.277 -65.442 1.00 0.00 C ATOM 32410 C6 C B1507 -16.919 -67.514 -65.382 1.00 0.00 C ATOM 32411 P A B1508 -18.719 -63.525 -69.143 1.00 0.00 P ATOM 32412 O1P A B1508 -19.652 -62.804 -70.037 1.00 0.00 O ATOM 32413 O2P A B1508 -18.056 -64.711 -69.727 1.00 0.00 O ATOM 32414 O5* A B1508 -17.617 -62.513 -68.577 1.00 0.00 O ATOM 32415 C5* A B1508 -18.050 -61.325 -67.888 1.00 0.00 C ATOM 32416 C4* A B1508 -16.852 -60.581 -67.335 1.00 0.00 C ATOM 32417 O4* A B1508 -16.250 -61.379 -66.273 1.00 0.00 O ATOM 32418 C3* A B1508 -15.703 -60.344 -68.314 1.00 0.00 C ATOM 32419 O3* A B1508 -15.920 -59.208 -69.091 1.00 0.00 O ATOM 32420 C2* A B1508 -14.507 -60.201 -67.378 1.00 0.00 C ATOM 32421 O2* A B1508 -14.503 -58.925 -66.759 1.00 0.00 O ATOM 32422 C1* A B1508 -14.840 -61.218 -66.293 1.00 0.00 C ATOM 32423 N9 A B1508 -14.227 -62.558 -66.522 1.00 0.00 N ATOM 32424 C8 A B1508 -14.825 -63.725 -66.937 1.00 0.00 C ATOM 32425 N7 A B1508 -14.008 -64.728 -67.039 1.00 0.00 N ATOM 32426 C5 A B1508 -12.780 -64.202 -66.670 1.00 0.00 C ATOM 32427 C6 A B1508 -11.498 -64.764 -66.571 1.00 0.00 C ATOM 32428 N6 A B1508 -11.233 -66.048 -66.853 1.00 0.00 N ATOM 32429 N1 A B1508 -10.498 -63.959 -66.171 1.00 0.00 N ATOM 32430 C2 A B1508 -10.770 -62.683 -65.897 1.00 0.00 C ATOM 32431 N3 A B1508 -11.920 -62.051 -65.951 1.00 0.00 N ATOM 32432 C4 A B1508 -12.904 -62.879 -66.355 1.00 0.00 C ATOM 32433 P A B1509 -16.115 -57.427 -68.632 1.00 0.00 P ATOM 32434 O1P A B1509 -15.297 -56.963 -67.488 1.00 0.00 O ATOM 32435 O2P A B1509 -17.553 -57.075 -68.576 1.00 0.00 O ATOM 32436 O5* A B1509 -15.250 -56.843 -70.140 1.00 0.00 O ATOM 32437 C5* A B1509 -13.916 -56.291 -70.316 1.00 0.00 C ATOM 32438 C4* A B1509 -12.958 -57.322 -71.114 1.00 0.00 C ATOM 32439 O4* A B1509 -13.501 -57.856 -72.354 1.00 0.00 O ATOM 32440 C3* A B1509 -11.450 -57.264 -71.364 1.00 0.00 C ATOM 32441 O3* A B1509 -10.445 -56.764 -70.315 1.00 0.00 O ATOM 32442 C2* A B1509 -11.221 -58.514 -72.210 1.00 0.00 C ATOM 32443 O2* A B1509 -11.248 -59.682 -71.408 1.00 0.00 O ATOM 32444 C1* A B1509 -12.486 -58.541 -73.065 1.00 0.00 C ATOM 32445 N9 A B1509 -12.323 -57.825 -74.579 1.00 0.00 N ATOM 32446 C8 A B1509 -13.071 -56.807 -75.129 1.00 0.00 C ATOM 32447 N7 A B1509 -12.806 -56.576 -76.376 1.00 0.00 N ATOM 32448 C5 A B1509 -11.811 -57.491 -76.686 1.00 0.00 C ATOM 32449 C6 A B1509 -11.095 -57.754 -77.866 1.00 0.00 C ATOM 32450 N6 A B1509 -11.285 -57.082 -79.011 1.00 0.00 N ATOM 32451 N1 A B1509 -10.180 -58.740 -77.827 1.00 0.00 N ATOM 32452 C2 A B1509 -9.996 -59.403 -76.686 1.00 0.00 C ATOM 32453 N3 A B1509 -10.599 -59.247 -75.529 1.00 0.00 N ATOM 32454 C4 A B1509 -11.511 -58.259 -75.594 1.00 0.00 C ATOM 32455 P G B1510 -9.008 -57.778 -69.786 1.00 0.00 P ATOM 32456 O1P G B1510 -8.508 -58.750 -70.786 1.00 0.00 O ATOM 32457 O2P G B1510 -9.295 -58.331 -68.444 1.00 0.00 O ATOM 32458 O5* G B1510 -7.822 -56.386 -69.898 1.00 0.00 O ATOM 32459 C5* G B1510 -7.058 -55.685 -70.924 1.00 0.00 C ATOM 32460 C4* G B1510 -6.016 -56.517 -71.916 1.00 0.00 C ATOM 32461 O4* G B1510 -6.023 -57.967 -71.760 1.00 0.00 O ATOM 32462 C3* G B1510 -6.203 -56.308 -73.422 1.00 0.00 C ATOM 32463 O3* G B1510 -5.779 -54.866 -73.911 1.00 0.00 O ATOM 32464 C2* G B1510 -5.412 -57.478 -74.004 1.00 0.00 C ATOM 32465 O2* G B1510 -4.017 -57.227 -73.938 1.00 0.00 O ATOM 32466 C1* G B1510 -5.715 -58.584 -72.997 1.00 0.00 C ATOM 32467 N9 G B1510 -7.036 -59.619 -73.434 1.00 0.00 N ATOM 32468 C8 G B1510 -8.276 -59.742 -72.850 1.00 0.00 C ATOM 32469 N7 G B1510 -9.036 -60.662 -73.394 1.00 0.00 N ATOM 32470 C5 G B1510 -8.239 -61.187 -74.414 1.00 0.00 C ATOM 32471 C6 G B1510 -8.515 -62.215 -75.349 1.00 0.00 C ATOM 32472 O6 G B1510 -9.537 -62.888 -75.478 1.00 0.00 O ATOM 32473 N1 G B1510 -7.425 -62.433 -76.208 1.00 0.00 N ATOM 32474 C2 G B1510 -6.230 -61.744 -76.163 1.00 0.00 C ATOM 32475 N2 G B1510 -5.317 -62.098 -77.071 1.00 0.00 N ATOM 32476 N3 G B1510 -5.973 -60.779 -75.283 1.00 0.00 N ATOM 32477 C4 G B1510 -7.018 -60.556 -74.444 1.00 0.00 C ATOM 32478 P G B1511 -4.272 -53.818 -73.498 1.00 0.00 P ATOM 32479 O1P G B1511 -4.683 -52.413 -73.720 1.00 0.00 O ATOM 32480 O2P G B1511 -3.049 -54.251 -74.212 1.00 0.00 O ATOM 32481 O5* G B1511 -4.112 -54.096 -71.931 1.00 0.00 O ATOM 32482 C5* G B1511 -5.039 -53.485 -71.017 1.00 0.00 C ATOM 32483 C4* G B1511 -4.781 -53.980 -69.608 1.00 0.00 C ATOM 32484 O4* G B1511 -5.131 -55.392 -69.534 1.00 0.00 O ATOM 32485 C3* G B1511 -3.325 -53.938 -69.142 1.00 0.00 C ATOM 32486 O3* G B1511 -2.984 -52.679 -68.650 1.00 0.00 O ATOM 32487 C2* G B1511 -3.302 -55.017 -68.063 1.00 0.00 C ATOM 32488 O2* G B1511 -3.907 -54.551 -66.870 1.00 0.00 O ATOM 32489 C1* G B1511 -4.240 -56.063 -68.657 1.00 0.00 C ATOM 32490 N9 G B1511 -3.542 -57.125 -69.435 1.00 0.00 N ATOM 32491 C8 G B1511 -3.477 -57.307 -70.799 1.00 0.00 C ATOM 32492 N7 G B1511 -2.771 -58.347 -71.166 1.00 0.00 N ATOM 32493 C5 G B1511 -2.333 -58.894 -69.959 1.00 0.00 C ATOM 32494 C6 G B1511 -1.528 -60.036 -69.711 1.00 0.00 C ATOM 32495 O6 G B1511 -1.027 -60.813 -70.519 1.00 0.00 O ATOM 32496 N1 G B1511 -1.328 -60.233 -68.339 1.00 0.00 N ATOM 32497 C2 G B1511 -1.838 -59.430 -67.336 1.00 0.00 C ATOM 32498 N2 G B1511 -1.530 -59.785 -66.087 1.00 0.00 N ATOM 32499 N3 G B1511 -2.591 -58.359 -67.569 1.00 0.00 N ATOM 32500 C4 G B1511 -2.797 -58.155 -68.898 1.00 0.00 C ATOM 32501 P C B1512 -1.461 -52.137 -68.874 1.00 0.00 P ATOM 32502 O1P C B1512 -1.395 -50.677 -68.622 1.00 0.00 O ATOM 32503 O2P C B1512 -0.968 -52.584 -70.196 1.00 0.00 O ATOM 32504 O5* C B1512 -0.686 -52.920 -67.714 1.00 0.00 O ATOM 32505 C5* C B1512 -1.075 -52.699 -66.345 1.00 0.00 C ATOM 32506 C4* C B1512 -0.302 -53.631 -65.433 1.00 0.00 C ATOM 32507 O4* C B1512 -0.734 -55.001 -65.680 1.00 0.00 O ATOM 32508 C3* C B1512 1.212 -53.676 -65.652 1.00 0.00 C ATOM 32509 O3* C B1512 1.858 -52.646 -64.976 1.00 0.00 O ATOM 32510 C2* C B1512 1.573 -55.058 -65.106 1.00 0.00 C ATOM 32511 O2* C B1512 1.576 -55.052 -63.689 1.00 0.00 O ATOM 32512 C1* C B1512 0.368 -55.884 -65.542 1.00 0.00 C ATOM 32513 N1 C B1512 0.560 -56.584 -66.845 1.00 0.00 N ATOM 32514 C2 C B1512 1.393 -57.698 -66.865 1.00 0.00 C ATOM 32515 O2 C B1512 1.933 -58.058 -65.812 1.00 0.00 O ATOM 32516 N3 C B1512 1.583 -58.349 -68.042 1.00 0.00 N ATOM 32517 C4 C B1512 0.979 -57.928 -69.160 1.00 0.00 C ATOM 32518 N4 C B1512 1.198 -58.597 -70.281 1.00 0.00 N ATOM 32519 C5 C B1512 0.119 -56.783 -69.159 1.00 0.00 C ATOM 32520 C6 C B1512 -0.058 -56.145 -67.975 1.00 0.00 C ATOM 32521 P U B1513 3.194 -51.984 -65.645 1.00 0.00 P ATOM 32522 O1P U B1513 3.512 -50.697 -64.985 1.00 0.00 O ATOM 32523 O2P U B1513 3.034 -51.934 -67.115 1.00 0.00 O ATOM 32524 O5* U B1513 4.295 -53.077 -65.256 1.00 0.00 O ATOM 32525 C5* U B1513 4.548 -53.353 -63.866 1.00 0.00 C ATOM 32526 C4* U B1513 5.527 -54.499 -63.734 1.00 0.00 C ATOM 32527 O4* U B1513 4.890 -55.722 -64.201 1.00 0.00 O ATOM 32528 C3* U B1513 6.793 -54.396 -64.586 1.00 0.00 C ATOM 32529 O3* U B1513 7.769 -53.625 -63.958 1.00 0.00 O ATOM 32530 C2* U B1513 7.202 -55.859 -64.730 1.00 0.00 C ATOM 32531 O2* U B1513 7.803 -56.333 -63.537 1.00 0.00 O ATOM 32532 C1* U B1513 5.846 -56.547 -64.848 1.00 0.00 C ATOM 32533 N1 U B1513 5.400 -56.754 -66.254 1.00 0.00 N ATOM 32534 C2 U B1513 6.026 -57.745 -66.972 1.00 0.00 C ATOM 32535 O2 U B1513 6.914 -58.440 -66.504 1.00 0.00 O ATOM 32536 N3 U B1513 5.586 -57.907 -68.270 1.00 0.00 N ATOM 32537 C4 U B1513 4.596 -57.178 -68.896 1.00 0.00 C ATOM 32538 O4 U B1513 4.286 -57.414 -70.067 1.00 0.00 O ATOM 32539 C5 U B1513 3.998 -56.161 -68.065 1.00 0.00 C ATOM 32540 C6 U B1513 4.408 -55.981 -66.798 1.00 0.00 C ATOM 32541 P G B1514 9.349 -53.492 -64.883 1.00 0.00 P ATOM 32542 O1P G B1514 9.736 -52.079 -65.093 1.00 0.00 O ATOM 32543 O2P G B1514 9.315 -54.340 -66.098 1.00 0.00 O ATOM 32544 O5* G B1514 10.345 -54.307 -63.577 1.00 0.00 O ATOM 32545 C5* G B1514 11.517 -55.155 -63.723 1.00 0.00 C ATOM 32546 C4* G B1514 12.218 -55.767 -62.390 1.00 0.00 C ATOM 32547 O4* G B1514 12.592 -54.885 -61.292 1.00 0.00 O ATOM 32548 C3* G B1514 11.757 -57.049 -61.692 1.00 0.00 C ATOM 32549 O3* G B1514 11.255 -58.263 -62.474 1.00 0.00 O ATOM 32550 C2* G B1514 12.711 -57.120 -60.502 1.00 0.00 C ATOM 32551 O2* G B1514 13.995 -57.571 -60.908 1.00 0.00 O ATOM 32552 C1* G B1514 12.849 -55.650 -60.130 1.00 0.00 C ATOM 32553 N9 G B1514 11.770 -55.114 -58.872 1.00 0.00 N ATOM 32554 C8 G B1514 11.864 -54.006 -58.059 1.00 0.00 C ATOM 32555 N7 G B1514 10.876 -53.888 -57.206 1.00 0.00 N ATOM 32556 C5 G B1514 10.073 -54.997 -57.474 1.00 0.00 C ATOM 32557 C6 G B1514 8.856 -55.407 -56.871 1.00 0.00 C ATOM 32558 O6 G B1514 8.227 -54.874 -55.959 1.00 0.00 O ATOM 32559 N1 G B1514 8.378 -56.591 -57.447 1.00 0.00 N ATOM 32560 C2 G B1514 8.988 -57.285 -58.474 1.00 0.00 C ATOM 32561 N2 G B1514 8.370 -58.392 -58.887 1.00 0.00 N ATOM 32562 N3 G B1514 10.130 -56.895 -59.037 1.00 0.00 N ATOM 32563 C4 G B1514 10.608 -55.747 -58.490 1.00 0.00 C ATOM 32564 P A B1515 12.415 -59.498 -63.171 1.00 0.00 P ATOM 32565 O1P A B1515 12.351 -60.765 -62.413 1.00 0.00 O ATOM 32566 O2P A B1515 13.773 -58.956 -63.414 1.00 0.00 O ATOM 32567 O5* A B1515 11.469 -59.577 -64.734 1.00 0.00 O ATOM 32568 C5* A B1515 11.154 -59.507 -66.149 1.00 0.00 C ATOM 32569 C4* A B1515 12.357 -60.054 -67.099 1.00 0.00 C ATOM 32570 O4* A B1515 13.045 -61.247 -66.624 1.00 0.00 O ATOM 32571 C3* A B1515 12.397 -60.187 -68.620 1.00 0.00 C ATOM 32572 O3* A B1515 11.444 -60.005 -69.810 1.00 0.00 O ATOM 32573 C2* A B1515 13.762 -60.826 -68.850 1.00 0.00 C ATOM 32574 O2* A B1515 14.798 -59.868 -68.703 1.00 0.00 O ATOM 32575 C1* A B1515 13.864 -61.773 -67.658 1.00 0.00 C ATOM 32576 N9 A B1515 13.380 -63.324 -67.967 1.00 0.00 N ATOM 32577 C8 A B1515 12.509 -64.106 -67.245 1.00 0.00 C ATOM 32578 N7 A B1515 12.191 -65.220 -67.835 1.00 0.00 N ATOM 32579 C5 A B1515 12.894 -65.182 -69.032 1.00 0.00 C ATOM 32580 C6 A B1515 12.985 -66.076 -70.104 1.00 0.00 C ATOM 32581 N6 A B1515 12.324 -67.242 -70.152 1.00 0.00 N ATOM 32582 N1 A B1515 13.775 -65.734 -71.136 1.00 0.00 N ATOM 32583 C2 A B1515 14.428 -64.576 -71.083 1.00 0.00 C ATOM 32584 N3 A B1515 14.424 -63.659 -70.137 1.00 0.00 N ATOM 32585 C4 A B1515 13.622 -64.030 -69.115 1.00 0.00 C ATOM 32586 P G B1516 12.088 -60.703 -71.415 1.00 0.00 P ATOM 32587 O1P G B1516 11.025 -61.533 -72.030 1.00 0.00 O ATOM 32588 O2P G B1516 13.394 -61.369 -71.234 1.00 0.00 O ATOM 32589 O5* G B1516 12.348 -59.143 -72.377 1.00 0.00 O ATOM 32590 C5* G B1516 12.061 -57.950 -73.193 1.00 0.00 C ATOM 32591 C4* G B1516 12.749 -57.624 -74.658 1.00 0.00 C ATOM 32592 O4* G B1516 14.009 -58.353 -74.698 1.00 0.00 O ATOM 32593 C3* G B1516 12.176 -57.803 -76.065 1.00 0.00 C ATOM 32594 O3* G B1516 10.941 -56.783 -76.403 1.00 0.00 O ATOM 32595 C2* G B1516 13.433 -57.775 -76.926 1.00 0.00 C ATOM 32596 O2* G B1516 13.908 -56.451 -77.078 1.00 0.00 O ATOM 32597 C1* G B1516 14.432 -58.511 -76.044 1.00 0.00 C ATOM 32598 N9 G B1516 14.578 -60.212 -76.376 1.00 0.00 N ATOM 32599 C8 G B1516 13.597 -61.181 -76.397 1.00 0.00 C ATOM 32600 N7 G B1516 14.054 -62.402 -76.553 1.00 0.00 N ATOM 32601 C5 G B1516 15.437 -62.227 -76.645 1.00 0.00 C ATOM 32602 C6 G B1516 16.468 -63.182 -76.828 1.00 0.00 C ATOM 32603 O6 G B1516 16.377 -64.402 -76.942 1.00 0.00 O ATOM 32604 N1 G B1516 17.732 -62.572 -76.868 1.00 0.00 N ATOM 32605 C2 G B1516 17.962 -61.217 -76.753 1.00 0.00 C ATOM 32606 N2 G B1516 19.240 -60.832 -76.820 1.00 0.00 N ATOM 32607 N3 G B1516 16.993 -60.318 -76.588 1.00 0.00 N ATOM 32608 C4 G B1516 15.763 -60.892 -76.541 1.00 0.00 C ATOM 32609 P G B1517 10.738 -55.606 -77.847 1.00 0.00 P ATOM 32610 O1P G B1517 9.614 -54.653 -77.998 1.00 0.00 O ATOM 32611 O2P G B1517 11.042 -56.438 -79.032 1.00 0.00 O ATOM 32612 O5* G B1517 12.054 -54.821 -77.386 1.00 0.00 O ATOM 32613 C5* G B1517 12.293 -53.495 -77.896 1.00 0.00 C ATOM 32614 C4* G B1517 13.520 -52.899 -77.236 1.00 0.00 C ATOM 32615 O4* G B1517 13.228 -52.663 -75.830 1.00 0.00 O ATOM 32616 C3* G B1517 14.761 -53.789 -77.211 1.00 0.00 C ATOM 32617 O3* G B1517 15.485 -53.694 -78.398 1.00 0.00 O ATOM 32618 C2* G B1517 15.528 -53.236 -76.012 1.00 0.00 C ATOM 32619 O2* G B1517 16.166 -52.013 -76.342 1.00 0.00 O ATOM 32620 C1* G B1517 14.391 -52.899 -75.051 1.00 0.00 C ATOM 32621 N9 G B1517 14.083 -53.989 -74.082 1.00 0.00 N ATOM 32622 C8 G B1517 13.017 -54.856 -74.060 1.00 0.00 C ATOM 32623 N7 G B1517 13.041 -55.706 -73.063 1.00 0.00 N ATOM 32624 C5 G B1517 14.208 -55.377 -72.373 1.00 0.00 C ATOM 32625 C6 G B1517 14.771 -55.947 -71.204 1.00 0.00 C ATOM 32626 O6 G B1517 14.349 -56.876 -70.521 1.00 0.00 O ATOM 32627 N1 G B1517 15.965 -55.307 -70.848 1.00 0.00 N ATOM 32628 C2 G B1517 16.541 -54.254 -71.529 1.00 0.00 C ATOM 32629 N2 G B1517 17.685 -53.781 -71.027 1.00 0.00 N ATOM 32630 N3 G B1517 16.012 -53.719 -72.628 1.00 0.00 N ATOM 32631 C4 G B1517 14.850 -54.329 -72.988 1.00 0.00 C ATOM 32632 P C B1518 16.267 -55.016 -78.950 1.00 0.00 P ATOM 32633 O1P C B1518 16.650 -54.829 -80.366 1.00 0.00 O ATOM 32634 O2P C B1518 15.462 -56.223 -78.654 1.00 0.00 O ATOM 32635 O5* C B1518 17.574 -54.998 -78.027 1.00 0.00 O ATOM 32636 C5* C B1518 18.457 -53.864 -78.090 1.00 0.00 C ATOM 32637 C4* C B1518 19.550 -54.000 -77.051 1.00 0.00 C ATOM 32638 O4* C B1518 18.960 -53.884 -75.726 1.00 0.00 O ATOM 32639 C3* C B1518 20.272 -55.348 -77.015 1.00 0.00 C ATOM 32640 O3* C B1518 21.299 -55.402 -77.954 1.00 0.00 O ATOM 32641 C2* C B1518 20.784 -55.398 -75.578 1.00 0.00 C ATOM 32642 O2* C B1518 21.917 -54.562 -75.418 1.00 0.00 O ATOM 32643 C1* C B1518 19.636 -54.740 -74.820 1.00 0.00 C ATOM 32644 N1 C B1518 18.644 -55.712 -74.274 1.00 0.00 N ATOM 32645 C2 C B1518 19.012 -56.460 -73.162 1.00 0.00 C ATOM 32646 O2 C B1518 20.137 -56.293 -72.677 1.00 0.00 O ATOM 32647 N3 C B1518 18.124 -57.350 -72.653 1.00 0.00 N ATOM 32648 C4 C B1518 16.915 -57.503 -73.208 1.00 0.00 C ATOM 32649 N4 C B1518 16.083 -58.383 -72.672 1.00 0.00 N ATOM 32650 C5 C B1518 16.517 -56.743 -74.352 1.00 0.00 C ATOM 32651 C6 C B1518 17.417 -55.859 -74.848 1.00 0.00 C ATOM 32652 P G B1519 21.628 -56.830 -78.676 1.00 0.00 P ATOM 32653 O1P G B1519 22.472 -56.616 -79.875 1.00 0.00 O ATOM 32654 O2P G B1519 20.368 -57.570 -78.901 1.00 0.00 O ATOM 32655 O5* G B1519 22.487 -57.552 -77.535 1.00 0.00 O ATOM 32656 C5* G B1519 23.715 -56.947 -77.094 1.00 0.00 C ATOM 32657 C4* G B1519 24.292 -57.727 -75.933 1.00 0.00 C ATOM 32658 O4* G B1519 23.417 -57.568 -74.778 1.00 0.00 O ATOM 32659 C3* G B1519 24.380 -59.241 -76.124 1.00 0.00 C ATOM 32660 O3* G B1519 25.537 -59.604 -76.804 1.00 0.00 O ATOM 32661 C2* G B1519 24.360 -59.746 -74.681 1.00 0.00 C ATOM 32662 O2* G B1519 25.619 -59.552 -74.064 1.00 0.00 O ATOM 32663 C1* G B1519 23.390 -58.770 -74.025 1.00 0.00 C ATOM 32664 N9 G B1519 21.982 -59.258 -73.991 1.00 0.00 N ATOM 32665 C8 G B1519 20.903 -58.860 -74.746 1.00 0.00 C ATOM 32666 N7 G B1519 19.789 -59.493 -74.467 1.00 0.00 N ATOM 32667 C5 G B1519 20.158 -60.375 -73.450 1.00 0.00 C ATOM 32668 C6 G B1519 19.382 -61.327 -72.740 1.00 0.00 C ATOM 32669 O6 G B1519 18.188 -61.591 -72.861 1.00 0.00 O ATOM 32670 N1 G B1519 20.154 -62.012 -71.792 1.00 0.00 N ATOM 32671 C2 G B1519 21.500 -61.808 -71.560 1.00 0.00 C ATOM 32672 N2 G B1519 22.057 -62.563 -70.613 1.00 0.00 N ATOM 32673 N3 G B1519 22.229 -60.914 -72.232 1.00 0.00 N ATOM 32674 C4 G B1519 21.494 -60.240 -73.155 1.00 0.00 C ATOM 32675 P U B1520 25.483 -60.893 -77.811 1.00 0.00 P ATOM 32676 O1P U B1520 26.665 -60.896 -78.699 1.00 0.00 O ATOM 32677 O2P U B1520 24.168 -60.935 -78.488 1.00 0.00 O ATOM 32678 O5* U B1520 25.592 -62.095 -76.762 1.00 0.00 O ATOM 32679 C5* U B1520 26.761 -62.191 -75.926 1.00 0.00 C ATOM 32680 C4* U B1520 26.596 -63.322 -74.931 1.00 0.00 C ATOM 32681 O4* U B1520 25.547 -62.971 -73.987 1.00 0.00 O ATOM 32682 C3* U B1520 26.136 -64.660 -75.512 1.00 0.00 C ATOM 32683 O3* U B1520 27.208 -65.394 -76.014 1.00 0.00 O ATOM 32684 C2* U B1520 25.479 -65.323 -74.304 1.00 0.00 C ATOM 32685 O2* U B1520 26.459 -65.822 -73.410 1.00 0.00 O ATOM 32686 C1* U B1520 24.818 -64.131 -73.620 1.00 0.00 C ATOM 32687 N1 U B1520 23.396 -63.928 -74.011 1.00 0.00 N ATOM 32688 C2 U B1520 22.472 -64.805 -73.498 1.00 0.00 C ATOM 32689 O2 U B1520 22.772 -65.722 -72.749 1.00 0.00 O ATOM 32690 N3 U B1520 21.165 -64.585 -73.883 1.00 0.00 N ATOM 32691 C4 U B1520 20.716 -63.584 -74.721 1.00 0.00 C ATOM 32692 O4 U B1520 19.518 -63.487 -74.994 1.00 0.00 O ATOM 32693 C5 U B1520 21.759 -62.715 -75.211 1.00 0.00 C ATOM 32694 C6 U B1520 23.038 -62.905 -74.852 1.00 0.00 C ATOM 32695 P G B1521 28.962 -65.393 -75.389 1.00 0.00 P ATOM 32696 O1P G B1521 29.668 -64.213 -75.946 1.00 0.00 O ATOM 32697 O2P G B1521 29.579 -66.707 -75.677 1.00 0.00 O ATOM 32698 O5* G B1521 28.783 -65.241 -73.548 1.00 0.00 O ATOM 32699 C5* G B1521 29.986 -65.062 -72.667 1.00 0.00 C ATOM 32700 C4* G B1521 29.926 -63.858 -71.479 1.00 0.00 C ATOM 32701 O4* G B1521 28.741 -63.066 -71.781 1.00 0.00 O ATOM 32702 C3* G B1521 29.699 -64.313 -70.034 1.00 0.00 C ATOM 32703 O3* G B1521 29.798 -65.778 -69.371 1.00 0.00 O ATOM 32704 C2* G B1521 29.000 -63.100 -69.422 1.00 0.00 C ATOM 32705 O2* G B1521 29.933 -62.063 -69.159 1.00 0.00 O ATOM 32706 C1* G B1521 28.130 -62.630 -70.577 1.00 0.00 C ATOM 32707 N9 G B1521 26.598 -63.196 -70.547 1.00 0.00 N ATOM 32708 C8 G B1521 26.096 -64.355 -71.096 1.00 0.00 C ATOM 32709 N7 G B1521 24.878 -64.650 -70.707 1.00 0.00 N ATOM 32710 C5 G B1521 24.545 -63.609 -69.840 1.00 0.00 C ATOM 32711 C6 G B1521 23.358 -63.373 -69.106 1.00 0.00 C ATOM 32712 O6 G B1521 22.332 -64.046 -69.070 1.00 0.00 O ATOM 32713 N1 G B1521 23.450 -62.198 -68.349 1.00 0.00 N ATOM 32714 C2 G B1521 24.545 -61.360 -68.303 1.00 0.00 C ATOM 32715 N2 G B1521 24.435 -60.286 -67.517 1.00 0.00 N ATOM 32716 N3 G B1521 25.662 -61.581 -68.993 1.00 0.00 N ATOM 32717 C4 G B1521 25.591 -62.718 -69.738 1.00 0.00 C ATOM 32718 P A B1522 28.448 -67.014 -68.948 1.00 0.00 P ATOM 32719 O1P A B1522 28.707 -68.464 -68.911 1.00 0.00 O ATOM 32720 O2P A B1522 27.327 -66.579 -69.804 1.00 0.00 O ATOM 32721 O5* A B1522 28.476 -66.317 -67.289 1.00 0.00 O ATOM 32722 C5* A B1522 27.445 -65.675 -66.564 1.00 0.00 C ATOM 32723 C4* A B1522 26.054 -66.118 -67.234 1.00 0.00 C ATOM 32724 O4* A B1522 25.612 -65.798 -68.584 1.00 0.00 O ATOM 32725 C3* A B1522 24.867 -66.864 -66.625 1.00 0.00 C ATOM 32726 O3* A B1522 25.237 -67.211 -65.118 1.00 0.00 O ATOM 32727 C2* A B1522 23.679 -66.135 -67.243 1.00 0.00 C ATOM 32728 O2* A B1522 23.475 -64.879 -66.612 1.00 0.00 O ATOM 32729 C1* A B1522 24.194 -65.845 -68.647 1.00 0.00 C ATOM 32730 N9 A B1522 23.742 -67.010 -69.834 1.00 0.00 N ATOM 32731 C8 A B1522 22.605 -67.785 -69.881 1.00 0.00 C ATOM 32732 N7 A B1522 22.639 -68.713 -70.783 1.00 0.00 N ATOM 32733 C5 A B1522 23.875 -68.559 -71.388 1.00 0.00 C ATOM 32734 C6 A B1522 24.517 -69.242 -72.429 1.00 0.00 C ATOM 32735 N6 A B1522 23.968 -70.279 -73.080 1.00 0.00 N ATOM 32736 N1 A B1522 25.741 -68.827 -72.780 1.00 0.00 N ATOM 32737 C2 A B1522 26.285 -67.798 -72.134 1.00 0.00 C ATOM 32738 N3 A B1522 25.786 -67.078 -71.148 1.00 0.00 N ATOM 32739 C4 A B1522 24.552 -67.518 -70.816 1.00 0.00 C ATOM 32740 P U B1523 24.975 -68.460 -63.725 1.00 0.00 P ATOM 32741 O1P U B1523 24.062 -67.969 -62.670 1.00 0.00 O ATOM 32742 O2P U B1523 26.366 -68.728 -63.294 1.00 0.00 O ATOM 32743 O5* U B1523 24.084 -69.959 -64.377 1.00 0.00 O ATOM 32744 C5* U B1523 23.319 -71.070 -63.748 1.00 0.00 C ATOM 32745 C4* U B1523 22.018 -71.882 -64.383 1.00 0.00 C ATOM 32746 O4* U B1523 20.908 -71.190 -65.023 1.00 0.00 O ATOM 32747 C3* U B1523 22.120 -73.205 -65.143 1.00 0.00 C ATOM 32748 O3* U B1523 23.330 -73.605 -66.029 1.00 0.00 O ATOM 32749 C2* U B1523 20.656 -73.522 -65.427 1.00 0.00 C ATOM 32750 O2* U B1523 20.012 -74.007 -64.253 1.00 0.00 O ATOM 32751 C1* U B1523 20.090 -72.133 -65.704 1.00 0.00 C ATOM 32752 N1 U B1523 20.034 -71.699 -67.369 1.00 0.00 N ATOM 32753 C2 U B1523 20.231 -72.701 -68.277 1.00 0.00 C ATOM 32754 O2 U B1523 20.348 -73.877 -67.963 1.00 0.00 O ATOM 32755 N3 U B1523 20.292 -72.304 -69.598 1.00 0.00 N ATOM 32756 C4 U B1523 20.177 -71.015 -70.074 1.00 0.00 C ATOM 32757 O4 U B1523 20.249 -70.779 -71.285 1.00 0.00 O ATOM 32758 C5 U B1523 19.969 -70.021 -69.039 1.00 0.00 C ATOM 32759 C6 U B1523 19.903 -70.387 -67.748 1.00 0.00 C ATOM 32760 P G B1524 23.175 -75.199 -66.909 1.00 0.00 P ATOM 32761 O1P G B1524 24.488 -75.829 -67.178 1.00 0.00 O ATOM 32762 O2P G B1524 22.253 -75.103 -68.061 1.00 0.00 O ATOM 32763 O5* G B1524 22.448 -75.909 -65.394 1.00 0.00 O ATOM 32764 C5* G B1524 21.388 -76.112 -64.428 1.00 0.00 C ATOM 32765 C4* G B1524 19.972 -76.290 -65.253 1.00 0.00 C ATOM 32766 O4* G B1524 20.228 -75.937 -66.641 1.00 0.00 O ATOM 32767 C3* G B1524 19.281 -77.652 -65.350 1.00 0.00 C ATOM 32768 O3* G B1524 18.492 -77.829 -64.039 1.00 0.00 O ATOM 32769 C2* G B1524 18.445 -77.500 -66.616 1.00 0.00 C ATOM 32770 O2* G B1524 17.297 -76.711 -66.367 1.00 0.00 O ATOM 32771 C1* G B1524 19.369 -76.666 -67.499 1.00 0.00 C ATOM 32772 N9 G B1524 20.337 -77.577 -68.584 1.00 0.00 N ATOM 32773 C8 G B1524 21.695 -77.798 -68.558 1.00 0.00 C ATOM 32774 N7 G B1524 22.152 -78.448 -69.602 1.00 0.00 N ATOM 32775 C5 G B1524 21.010 -78.667 -70.378 1.00 0.00 C ATOM 32776 C6 G B1524 20.867 -79.319 -71.628 1.00 0.00 C ATOM 32777 O6 G B1524 21.731 -79.849 -72.326 1.00 0.00 O ATOM 32778 N1 G B1524 19.536 -79.319 -72.054 1.00 0.00 N ATOM 32779 C2 G B1524 18.476 -78.765 -71.367 1.00 0.00 C ATOM 32780 N2 G B1524 17.276 -78.870 -71.941 1.00 0.00 N ATOM 32781 N3 G B1524 18.608 -78.151 -70.193 1.00 0.00 N ATOM 32782 C4 G B1524 19.899 -78.139 -69.762 1.00 0.00 C ATOM 32783 P A B1525 16.978 -78.822 -63.856 1.00 0.00 P ATOM 32784 O1P A B1525 16.165 -78.981 -65.083 1.00 0.00 O ATOM 32785 O2P A B1525 16.247 -78.355 -62.659 1.00 0.00 O ATOM 32786 O5* A B1525 17.950 -80.285 -63.437 1.00 0.00 O ATOM 32787 C5* A B1525 19.009 -81.184 -63.610 1.00 0.00 C ATOM 32788 C4* A B1525 18.594 -82.495 -64.455 1.00 0.00 C ATOM 32789 O4* A B1525 18.006 -82.346 -65.779 1.00 0.00 O ATOM 32790 C3* A B1525 19.676 -83.557 -64.651 1.00 0.00 C ATOM 32791 O3* A B1525 21.183 -83.183 -64.514 1.00 0.00 O ATOM 32792 C2* A B1525 19.033 -84.490 -65.676 1.00 0.00 C ATOM 32793 O2* A B1525 18.058 -85.317 -65.057 1.00 0.00 O ATOM 32794 C1* A B1525 18.284 -83.504 -66.564 1.00 0.00 C ATOM 32795 N9 A B1525 19.134 -83.015 -67.958 1.00 0.00 N ATOM 32796 C8 A B1525 20.400 -82.490 -68.045 1.00 0.00 C ATOM 32797 N7 A B1525 20.828 -82.356 -69.264 1.00 0.00 N ATOM 32798 C5 A B1525 19.781 -82.822 -70.044 1.00 0.00 C ATOM 32799 C6 A B1525 19.614 -82.945 -71.431 1.00 0.00 C ATOM 32800 N6 A B1525 20.551 -82.587 -72.324 1.00 0.00 N ATOM 32801 N1 A B1525 18.450 -83.443 -71.871 1.00 0.00 N ATOM 32802 C2 A B1525 17.523 -83.798 -70.981 1.00 0.00 C ATOM 32803 N3 A B1525 17.566 -83.733 -69.670 1.00 0.00 N ATOM 32804 C4 A B1525 18.745 -83.224 -69.254 1.00 0.00 C ATOM 32805 P C B1526 21.940 -82.849 -62.869 1.00 0.00 P ATOM 32806 O1P C B1526 23.061 -83.798 -62.673 1.00 0.00 O ATOM 32807 O2P C B1526 20.931 -82.811 -61.793 1.00 0.00 O ATOM 32808 O5* C B1526 22.731 -81.215 -63.135 1.00 0.00 O ATOM 32809 C5* C B1526 24.010 -80.823 -62.602 1.00 0.00 C ATOM 32810 C4* C B1526 24.038 -80.250 -61.084 1.00 0.00 C ATOM 32811 O4* C B1526 24.244 -81.241 -60.040 1.00 0.00 O ATOM 32812 C3* C B1526 24.829 -79.033 -60.600 1.00 0.00 C ATOM 32813 O3* C B1526 24.362 -77.749 -61.309 1.00 0.00 O ATOM 32814 C2* C B1526 24.617 -79.096 -59.085 1.00 0.00 C ATOM 32815 O2* C B1526 23.318 -78.635 -58.742 1.00 0.00 O ATOM 32816 C1* C B1526 24.643 -80.600 -58.836 1.00 0.00 C ATOM 32817 N1 C B1526 26.230 -81.247 -58.356 1.00 0.00 N ATOM 32818 C2 C B1526 26.811 -80.746 -57.192 1.00 0.00 C ATOM 32819 O2 C B1526 26.239 -79.829 -56.591 1.00 0.00 O ATOM 32820 N3 C B1526 27.973 -81.291 -56.756 1.00 0.00 N ATOM 32821 C4 C B1526 28.557 -82.283 -57.438 1.00 0.00 C ATOM 32822 N4 C B1526 29.695 -82.780 -56.970 1.00 0.00 N ATOM 32823 C5 C B1526 27.980 -82.809 -58.637 1.00 0.00 C ATOM 32824 C6 C B1526 26.816 -82.257 -59.052 1.00 0.00 C ATOM 32825 P G B1527 24.853 -77.691 -63.076 1.00 0.00 P ATOM 32826 O1P G B1527 24.044 -78.734 -63.751 1.00 0.00 O ATOM 32827 O2P G B1527 26.318 -77.773 -63.291 1.00 0.00 O ATOM 32828 O5* G B1527 24.334 -75.999 -63.586 1.00 0.00 O ATOM 32829 C5* G B1527 24.920 -75.717 -64.904 1.00 0.00 C ATOM 32830 C4* G B1527 26.427 -75.058 -65.074 1.00 0.00 C ATOM 32831 O4* G B1527 26.703 -74.020 -64.086 1.00 0.00 O ATOM 32832 C3* G B1527 27.235 -74.626 -66.296 1.00 0.00 C ATOM 32833 O3* G B1527 26.691 -75.083 -67.699 1.00 0.00 O ATOM 32834 C2* G B1527 27.104 -73.107 -66.245 1.00 0.00 C ATOM 32835 O2* G B1527 25.823 -72.691 -66.692 1.00 0.00 O ATOM 32836 C1* G B1527 27.154 -72.846 -64.741 1.00 0.00 C ATOM 32837 N9 G B1527 28.708 -72.452 -64.135 1.00 0.00 N ATOM 32838 C8 G B1527 29.721 -73.294 -63.731 1.00 0.00 C ATOM 32839 N7 G B1527 30.729 -72.679 -63.161 1.00 0.00 N ATOM 32840 C5 G B1527 30.362 -71.334 -63.192 1.00 0.00 C ATOM 32841 C6 G B1527 31.048 -70.191 -62.718 1.00 0.00 C ATOM 32842 O6 G B1527 32.144 -70.120 -62.169 1.00 0.00 O ATOM 32843 N1 G B1527 30.311 -69.020 -62.947 1.00 0.00 N ATOM 32844 C2 G B1527 29.068 -68.963 -63.554 1.00 0.00 C ATOM 32845 N2 G B1527 28.531 -67.748 -63.682 1.00 0.00 N ATOM 32846 N3 G B1527 28.426 -70.043 -63.997 1.00 0.00 N ATOM 32847 C4 G B1527 29.128 -71.187 -63.783 1.00 0.00 C ATOM 32848 P A B1528 26.414 -73.840 -69.069 1.00 0.00 P ATOM 32849 O1P A B1528 26.324 -74.560 -70.359 1.00 0.00 O ATOM 32850 O2P A B1528 27.434 -72.762 -69.003 1.00 0.00 O ATOM 32851 O5* A B1528 24.749 -73.132 -68.639 1.00 0.00 O ATOM 32852 C5* A B1528 23.453 -72.415 -68.616 1.00 0.00 C ATOM 32853 C4* A B1528 23.309 -71.183 -67.539 1.00 0.00 C ATOM 32854 O4* A B1528 22.185 -70.307 -67.232 1.00 0.00 O ATOM 32855 C3* A B1528 24.517 -70.440 -66.959 1.00 0.00 C ATOM 32856 O3* A B1528 25.843 -70.446 -67.978 1.00 0.00 O ATOM 32857 C2* A B1528 24.154 -68.982 -67.228 1.00 0.00 C ATOM 32858 O2* A B1528 24.358 -68.657 -68.595 1.00 0.00 O ATOM 32859 C1* A B1528 22.649 -68.989 -66.991 1.00 0.00 C ATOM 32860 N9 A B1528 22.146 -68.504 -65.326 1.00 0.00 N ATOM 32861 C8 A B1528 21.230 -69.113 -64.501 1.00 0.00 C ATOM 32862 N7 A B1528 20.929 -68.423 -63.448 1.00 0.00 N ATOM 32863 C5 A B1528 21.695 -67.276 -63.569 1.00 0.00 C ATOM 32864 C6 A B1528 21.834 -66.137 -62.758 1.00 0.00 C ATOM 32865 N6 A B1528 21.161 -65.965 -61.606 1.00 0.00 N ATOM 32866 N1 A B1528 22.677 -65.178 -63.167 1.00 0.00 N ATOM 32867 C2 A B1528 23.340 -65.356 -64.313 1.00 0.00 C ATOM 32868 N3 A B1528 23.296 -66.371 -65.152 1.00 0.00 N ATOM 32869 C4 A B1528 22.439 -67.318 -64.711 1.00 0.00 C ATOM 32870 P G B1529 27.229 -69.704 -66.842 1.00 0.00 P ATOM 32871 O1P G B1529 26.751 -70.847 -66.031 1.00 0.00 O ATOM 32872 O2P G B1529 27.012 -68.364 -66.257 1.00 0.00 O ATOM 32873 O5* G B1529 28.780 -69.900 -67.188 1.00 0.00 O ATOM 32874 C5* G B1529 29.755 -69.088 -66.510 1.00 0.00 C ATOM 32875 C4* G B1529 31.156 -69.528 -66.894 1.00 0.00 C ATOM 32876 O4* G B1529 31.397 -70.857 -66.352 1.00 0.00 O ATOM 32877 C3* G B1529 31.412 -69.687 -68.392 1.00 0.00 C ATOM 32878 O3* G B1529 31.743 -68.474 -68.987 1.00 0.00 O ATOM 32879 C2* G B1529 32.568 -70.686 -68.409 1.00 0.00 C ATOM 32880 O2* G B1529 33.789 -70.054 -68.065 1.00 0.00 O ATOM 32881 C1* G B1529 32.202 -71.604 -67.248 1.00 0.00 C ATOM 32882 N9 G B1529 31.432 -72.812 -67.659 1.00 0.00 N ATOM 32883 C8 G B1529 30.092 -73.090 -67.492 1.00 0.00 C ATOM 32884 N7 G B1529 29.726 -74.253 -67.972 1.00 0.00 N ATOM 32885 C5 G B1529 30.905 -74.785 -68.494 1.00 0.00 C ATOM 32886 C6 G B1529 31.139 -76.021 -69.147 1.00 0.00 C ATOM 32887 O6 G B1529 30.342 -76.920 -69.401 1.00 0.00 O ATOM 32888 N1 G B1529 32.486 -76.158 -69.514 1.00 0.00 N ATOM 32889 C2 G B1529 33.473 -75.222 -69.286 1.00 0.00 C ATOM 32890 N2 G B1529 34.697 -75.542 -69.715 1.00 0.00 N ATOM 32891 N3 G B1529 33.252 -74.060 -68.675 1.00 0.00 N ATOM 32892 C4 G B1529 31.949 -73.911 -68.309 1.00 0.00 C ATOM 32893 P G B1530 31.265 -68.200 -70.527 1.00 0.00 P ATOM 32894 O1P G B1530 31.380 -66.759 -70.847 1.00 0.00 O ATOM 32895 O2P G B1530 29.935 -68.806 -70.745 1.00 0.00 O ATOM 32896 O5* G B1530 32.376 -69.024 -71.334 1.00 0.00 O ATOM 32897 C5* G B1530 33.760 -68.652 -71.192 1.00 0.00 C ATOM 32898 C4* G B1530 34.638 -69.636 -71.940 1.00 0.00 C ATOM 32899 O4* G B1530 34.571 -70.931 -71.276 1.00 0.00 O ATOM 32900 C3* G B1530 34.218 -69.940 -73.380 1.00 0.00 C ATOM 32901 O3* G B1530 34.711 -68.985 -74.268 1.00 0.00 O ATOM 32902 C2* G B1530 34.829 -71.322 -73.604 1.00 0.00 C ATOM 32903 O2* G B1530 36.227 -71.224 -73.819 1.00 0.00 O ATOM 32904 C1* G B1530 34.634 -71.970 -72.237 1.00 0.00 C ATOM 32905 N9 G B1530 33.385 -72.773 -72.131 1.00 0.00 N ATOM 32906 C8 G B1530 32.213 -72.478 -71.467 1.00 0.00 C ATOM 32907 N7 G B1530 31.294 -73.408 -71.569 1.00 0.00 N ATOM 32908 C5 G B1530 31.899 -74.389 -72.353 1.00 0.00 C ATOM 32909 C6 G B1530 31.398 -75.636 -72.804 1.00 0.00 C ATOM 32910 O6 G B1530 30.296 -76.143 -72.599 1.00 0.00 O ATOM 32911 N1 G B1530 32.345 -76.321 -73.576 1.00 0.00 N ATOM 32912 C2 G B1530 33.613 -75.861 -73.874 1.00 0.00 C ATOM 32913 N2 G B1530 34.368 -76.662 -74.630 1.00 0.00 N ATOM 32914 N3 G B1530 34.083 -74.689 -73.453 1.00 0.00 N ATOM 32915 C4 G B1530 33.176 -74.011 -72.699 1.00 0.00 C ATOM 32916 P C B1531 33.812 -68.592 -75.575 1.00 0.00 P ATOM 32917 O1P C B1531 34.307 -67.334 -76.177 1.00 0.00 O ATOM 32918 O2P C B1531 32.377 -68.615 -75.208 1.00 0.00 O ATOM 32919 O5* C B1531 34.143 -69.823 -76.544 1.00 0.00 O ATOM 32920 C5* C B1531 35.503 -70.045 -76.952 1.00 0.00 C ATOM 32921 C4* C B1531 35.602 -71.324 -77.759 1.00 0.00 C ATOM 32922 O4* C B1531 35.333 -72.456 -76.881 1.00 0.00 O ATOM 32923 C3* C B1531 34.581 -71.480 -78.886 1.00 0.00 C ATOM 32924 O3* C B1531 35.000 -70.838 -80.049 1.00 0.00 O ATOM 32925 C2* C B1531 34.509 -72.997 -79.044 1.00 0.00 C ATOM 32926 O2* C B1531 35.647 -73.484 -79.736 1.00 0.00 O ATOM 32927 C1* C B1531 34.638 -73.465 -77.597 1.00 0.00 C ATOM 32928 N1 C B1531 33.328 -73.686 -76.923 1.00 0.00 N ATOM 32929 C2 C B1531 32.601 -74.821 -77.273 1.00 0.00 C ATOM 32930 O2 C B1531 33.066 -75.589 -78.122 1.00 0.00 O ATOM 32931 N3 C B1531 31.404 -75.039 -76.671 1.00 0.00 N ATOM 32932 C4 C B1531 30.933 -74.185 -75.756 1.00 0.00 C ATOM 32933 N4 C B1531 29.763 -74.445 -75.196 1.00 0.00 N ATOM 32934 C5 C B1531 31.666 -73.012 -75.379 1.00 0.00 C ATOM 32935 C6 C B1531 32.858 -72.810 -75.993 1.00 0.00 C ATOM 32936 P A B1532 33.875 -70.160 -81.021 1.00 0.00 P ATOM 32937 O1P A B1532 34.518 -69.233 -81.978 1.00 0.00 O ATOM 32938 O2P A B1532 32.796 -69.583 -80.192 1.00 0.00 O ATOM 32939 O5* A B1532 33.334 -71.449 -81.797 1.00 0.00 O ATOM 32940 C5* A B1532 34.251 -72.220 -82.596 1.00 0.00 C ATOM 32941 C4* A B1532 33.560 -73.455 -83.134 1.00 0.00 C ATOM 32942 O4* A B1532 33.258 -74.349 -82.025 1.00 0.00 O ATOM 32943 C3* A B1532 32.201 -73.222 -83.796 1.00 0.00 C ATOM 32944 O3* A B1532 32.340 -72.845 -85.130 1.00 0.00 O ATOM 32945 C2* A B1532 31.527 -74.583 -83.636 1.00 0.00 C ATOM 32946 O2* A B1532 32.049 -75.515 -84.570 1.00 0.00 O ATOM 32947 C1* A B1532 32.025 -75.010 -82.257 1.00 0.00 C ATOM 32948 N9 A B1532 31.095 -74.659 -81.150 1.00 0.00 N ATOM 32949 C8 A B1532 31.212 -73.667 -80.202 1.00 0.00 C ATOM 32950 N7 A B1532 30.224 -73.619 -79.365 1.00 0.00 N ATOM 32951 C5 A B1532 29.383 -74.646 -79.777 1.00 0.00 C ATOM 32952 C6 A B1532 28.152 -75.114 -79.294 1.00 0.00 C ATOM 32953 N6 A B1532 27.522 -74.585 -78.236 1.00 0.00 N ATOM 32954 N1 A B1532 27.590 -76.153 -79.936 1.00 0.00 N ATOM 32955 C2 A B1532 28.221 -76.678 -80.988 1.00 0.00 C ATOM 32956 N3 A B1532 29.368 -76.326 -81.528 1.00 0.00 N ATOM 32957 C4 A B1532 29.911 -75.281 -80.865 1.00 0.00 C ATOM 32958 P C B1533 31.258 -71.803 -85.770 1.00 0.00 P ATOM 32959 O1P C B1533 31.770 -71.250 -87.043 1.00 0.00 O ATOM 32960 O2P C B1533 30.869 -70.808 -84.745 1.00 0.00 O ATOM 32961 O5* C B1533 30.029 -72.787 -86.062 1.00 0.00 O ATOM 32962 C5* C B1533 30.219 -73.889 -86.966 1.00 0.00 C ATOM 32963 C4* C B1533 28.975 -74.753 -86.998 1.00 0.00 C ATOM 32964 O4* C B1533 28.823 -75.411 -85.705 1.00 0.00 O ATOM 32965 C3* C B1533 27.651 -74.011 -87.189 1.00 0.00 C ATOM 32966 O3* C B1533 27.391 -73.769 -88.536 1.00 0.00 O ATOM 32967 C2* C B1533 26.648 -74.976 -86.558 1.00 0.00 C ATOM 32968 O2* C B1533 26.392 -76.068 -87.421 1.00 0.00 O ATOM 32969 C1* C B1533 27.449 -75.522 -85.380 1.00 0.00 C ATOM 32970 N1 C B1533 27.215 -74.783 -84.105 1.00 0.00 N ATOM 32971 C2 C B1533 26.009 -74.991 -83.446 1.00 0.00 C ATOM 32972 O2 C B1533 25.187 -75.774 -83.939 1.00 0.00 O ATOM 32973 N3 C B1533 25.778 -74.328 -82.286 1.00 0.00 N ATOM 32974 C4 C B1533 26.695 -73.490 -81.784 1.00 0.00 C ATOM 32975 N4 C B1533 26.420 -72.868 -80.647 1.00 0.00 N ATOM 32976 C5 C B1533 27.942 -73.263 -82.445 1.00 0.00 C ATOM 32977 C6 C B1533 28.154 -73.935 -83.606 1.00 0.00 C ATOM 32978 P U B1534 28.177 -72.291 -89.309 1.00 0.00 P ATOM 32979 O1P U B1534 27.865 -72.249 -90.751 1.00 0.00 O ATOM 32980 O2P U B1534 29.611 -72.177 -88.957 1.00 0.00 O ATOM 32981 O5* U B1534 27.182 -71.066 -88.391 1.00 0.00 O ATOM 32982 C5* U B1534 26.583 -69.754 -88.279 1.00 0.00 C ATOM 32983 C4* U B1534 25.239 -69.768 -87.343 1.00 0.00 C ATOM 32984 O4* U B1534 24.168 -70.613 -87.851 1.00 0.00 O ATOM 32985 C3* U B1534 25.370 -70.183 -85.877 1.00 0.00 C ATOM 32986 O3* U B1534 26.100 -69.100 -85.047 1.00 0.00 O ATOM 32987 C2* U B1534 23.924 -70.465 -85.493 1.00 0.00 C ATOM 32988 O2* U B1534 23.215 -69.256 -85.294 1.00 0.00 O ATOM 32989 C1* U B1534 23.383 -71.093 -86.773 1.00 0.00 C ATOM 32990 N1 U B1534 23.419 -72.786 -86.799 1.00 0.00 N ATOM 32991 C2 U B1534 22.917 -73.437 -85.701 1.00 0.00 C ATOM 32992 O2 U B1534 22.468 -72.853 -84.730 1.00 0.00 O ATOM 32993 N3 U B1534 22.947 -74.816 -85.767 1.00 0.00 N ATOM 32994 C4 U B1534 23.426 -75.578 -86.810 1.00 0.00 C ATOM 32995 O4 U B1534 23.401 -76.809 -86.752 1.00 0.00 O ATOM 32996 C5 U B1534 23.940 -74.802 -87.915 1.00 0.00 C ATOM 32997 C6 U B1534 23.920 -73.459 -87.881 1.00 0.00 C ATOM 32998 P A B1535 26.818 -69.572 -83.437 1.00 0.00 P ATOM 32999 O1P A B1535 28.251 -69.927 -83.549 1.00 0.00 O ATOM 33000 O2P A B1535 25.969 -70.545 -82.713 1.00 0.00 O ATOM 33001 O5* A B1535 26.600 -67.888 -82.780 1.00 0.00 O ATOM 33002 C5* A B1535 26.791 -66.922 -81.736 1.00 0.00 C ATOM 33003 C4* A B1535 25.516 -65.945 -81.497 1.00 0.00 C ATOM 33004 O4* A B1535 24.830 -65.432 -82.676 1.00 0.00 O ATOM 33005 C3* A B1535 24.380 -66.231 -80.508 1.00 0.00 C ATOM 33006 O3* A B1535 24.776 -66.455 -79.039 1.00 0.00 O ATOM 33007 C2* A B1535 23.405 -65.093 -80.800 1.00 0.00 C ATOM 33008 O2* A B1535 23.864 -63.876 -80.237 1.00 0.00 O ATOM 33009 C1* A B1535 23.542 -64.953 -82.317 1.00 0.00 C ATOM 33010 N9 A B1535 22.389 -65.808 -83.210 1.00 0.00 N ATOM 33011 C8 A B1535 22.563 -66.950 -83.964 1.00 0.00 C ATOM 33012 N7 A B1535 21.456 -67.444 -84.425 1.00 0.00 N ATOM 33013 C5 A B1535 20.475 -66.581 -83.951 1.00 0.00 C ATOM 33014 C6 A B1535 19.080 -66.565 -84.096 1.00 0.00 C ATOM 33015 N6 A B1535 18.397 -67.484 -84.796 1.00 0.00 N ATOM 33016 N1 A B1535 18.411 -65.563 -83.495 1.00 0.00 N ATOM 33017 C2 A B1535 19.098 -64.660 -82.802 1.00 0.00 C ATOM 33018 N3 A B1535 20.391 -64.573 -82.600 1.00 0.00 N ATOM 33019 C4 A B1535 21.038 -65.584 -83.208 1.00 0.00 C ATOM 33020 P C B1536 25.365 -68.126 -78.579 1.00 0.00 P ATOM 33021 O1P C B1536 26.844 -68.200 -78.524 1.00 0.00 O ATOM 33022 O2P C B1536 24.691 -69.194 -79.349 1.00 0.00 O ATOM 33023 O5* C B1536 24.669 -67.941 -76.908 1.00 0.00 O ATOM 33024 C5* C B1536 24.084 -67.134 -75.888 1.00 0.00 C ATOM 33025 C4* C B1536 22.526 -66.789 -76.166 1.00 0.00 C ATOM 33026 O4* C B1536 22.152 -66.194 -77.441 1.00 0.00 O ATOM 33027 C3* C B1536 21.404 -67.796 -75.888 1.00 0.00 C ATOM 33028 O3* C B1536 21.384 -68.571 -74.581 1.00 0.00 O ATOM 33029 C2* C B1536 20.178 -67.072 -76.446 1.00 0.00 C ATOM 33030 O2* C B1536 19.754 -66.048 -75.562 1.00 0.00 O ATOM 33031 C1* C B1536 20.763 -66.380 -77.673 1.00 0.00 C ATOM 33032 N1 C B1536 20.574 -67.240 -79.130 1.00 0.00 N ATOM 33033 C2 C B1536 19.303 -67.298 -79.687 1.00 0.00 C ATOM 33034 O2 C B1536 18.371 -66.732 -79.109 1.00 0.00 O ATOM 33035 N3 C B1536 19.131 -67.973 -80.854 1.00 0.00 N ATOM 33036 C4 C B1536 20.165 -68.577 -81.453 1.00 0.00 C ATOM 33037 N4 C B1536 19.946 -69.222 -82.591 1.00 0.00 N ATOM 33038 C5 C B1536 21.488 -68.529 -80.896 1.00 0.00 C ATOM 33039 C6 C B1536 21.635 -67.851 -79.729 1.00 0.00 C ATOM 33040 P G B1537 21.446 -70.362 -74.931 1.00 0.00 P ATOM 33041 O1P G B1537 21.519 -71.210 -73.724 1.00 0.00 O ATOM 33042 O2P G B1537 22.439 -70.659 -75.992 1.00 0.00 O ATOM 33043 O5* G B1537 19.733 -70.274 -75.512 1.00 0.00 O ATOM 33044 C5* G B1537 18.528 -70.659 -74.833 1.00 0.00 C ATOM 33045 C4* G B1537 17.426 -71.196 -75.892 1.00 0.00 C ATOM 33046 O4* G B1537 17.459 -70.529 -77.188 1.00 0.00 O ATOM 33047 C3* G B1537 17.256 -72.677 -76.243 1.00 0.00 C ATOM 33048 O3* G B1537 16.694 -73.530 -75.058 1.00 0.00 O ATOM 33049 C2* G B1537 16.343 -72.611 -77.468 1.00 0.00 C ATOM 33050 O2* G B1537 15.008 -72.342 -77.083 1.00 0.00 O ATOM 33051 C1* G B1537 16.861 -71.361 -78.172 1.00 0.00 C ATOM 33052 N9 G B1537 18.029 -71.663 -79.412 1.00 0.00 N ATOM 33053 C8 G B1537 19.371 -71.353 -79.438 1.00 0.00 C ATOM 33054 N7 G B1537 19.961 -71.630 -80.577 1.00 0.00 N ATOM 33055 C5 G B1537 18.934 -72.156 -81.362 1.00 0.00 C ATOM 33056 C6 G B1537 18.961 -72.634 -82.696 1.00 0.00 C ATOM 33057 O6 G B1537 19.909 -72.693 -83.474 1.00 0.00 O ATOM 33058 N1 G B1537 17.693 -73.078 -83.102 1.00 0.00 N ATOM 33059 C2 G B1537 16.554 -73.067 -82.322 1.00 0.00 C ATOM 33060 N2 G B1537 15.447 -73.535 -82.895 1.00 0.00 N ATOM 33061 N3 G B1537 16.535 -72.618 -81.071 1.00 0.00 N ATOM 33062 C4 G B1537 17.755 -72.178 -80.658 1.00 0.00 C ATOM 33063 P G B1538 17.824 -74.596 -74.091 1.00 0.00 P ATOM 33064 O1P G B1538 17.195 -75.381 -73.004 1.00 0.00 O ATOM 33065 O2P G B1538 19.057 -73.864 -73.729 1.00 0.00 O ATOM 33066 O5* G B1538 18.102 -75.541 -75.350 1.00 0.00 O ATOM 33067 C5* G B1538 17.009 -76.280 -75.929 1.00 0.00 C ATOM 33068 C4* G B1538 17.472 -77.006 -77.175 1.00 0.00 C ATOM 33069 O4* G B1538 17.784 -76.023 -78.204 1.00 0.00 O ATOM 33070 C3* G B1538 18.762 -77.814 -77.033 1.00 0.00 C ATOM 33071 O3* G B1538 18.520 -79.081 -76.515 1.00 0.00 O ATOM 33072 C2* G B1538 19.272 -77.854 -78.474 1.00 0.00 C ATOM 33073 O2* G B1538 18.535 -78.789 -79.242 1.00 0.00 O ATOM 33074 C1* G B1538 18.885 -76.468 -78.976 1.00 0.00 C ATOM 33075 N9 G B1538 19.974 -75.459 -78.846 1.00 0.00 N ATOM 33076 C8 G B1538 20.098 -74.422 -77.949 1.00 0.00 C ATOM 33077 N7 G B1538 21.188 -73.709 -78.102 1.00 0.00 N ATOM 33078 C5 G B1538 21.834 -74.319 -79.179 1.00 0.00 C ATOM 33079 C6 G B1538 23.063 -73.995 -79.810 1.00 0.00 C ATOM 33080 O6 G B1538 23.848 -73.089 -79.546 1.00 0.00 O ATOM 33081 N1 G B1538 23.341 -74.874 -80.865 1.00 0.00 N ATOM 33082 C2 G B1538 22.544 -75.928 -81.257 1.00 0.00 C ATOM 33083 N2 G B1538 22.987 -76.651 -82.287 1.00 0.00 N ATOM 33084 N3 G B1538 21.389 -76.230 -80.665 1.00 0.00 N ATOM 33085 C4 G B1538 21.100 -75.387 -79.638 1.00 0.00 C ATOM 33086 P U B1539 19.646 -79.761 -75.545 1.00 0.00 P ATOM 33087 O1P U B1539 19.063 -80.909 -74.811 1.00 0.00 O ATOM 33088 O2P U B1539 20.271 -78.713 -74.709 1.00 0.00 O ATOM 33089 O5* U B1539 20.696 -80.288 -76.630 1.00 0.00 O ATOM 33090 C5* U B1539 20.266 -81.253 -77.608 1.00 0.00 C ATOM 33091 C4* U B1539 21.376 -81.515 -78.602 1.00 0.00 C ATOM 33092 O4* U B1539 21.591 -80.313 -79.398 1.00 0.00 O ATOM 33093 C3* U B1539 22.754 -81.808 -78.003 1.00 0.00 C ATOM 33094 O3* U B1539 22.886 -83.151 -77.659 1.00 0.00 O ATOM 33095 C2* U B1539 23.691 -81.393 -79.133 1.00 0.00 C ATOM 33096 O2* U B1539 23.706 -82.373 -80.159 1.00 0.00 O ATOM 33097 C1* U B1539 22.971 -80.173 -79.700 1.00 0.00 C ATOM 33098 N1 U B1539 23.440 -78.882 -79.122 1.00 0.00 N ATOM 33099 C2 U B1539 24.665 -78.419 -79.539 1.00 0.00 C ATOM 33100 O2 U B1539 25.361 -79.018 -80.344 1.00 0.00 O ATOM 33101 N3 U B1539 25.066 -77.220 -78.985 1.00 0.00 N ATOM 33102 C4 U B1539 24.362 -76.464 -78.072 1.00 0.00 C ATOM 33103 O4 U B1539 24.826 -75.402 -77.644 1.00 0.00 O ATOM 33104 C5 U B1539 23.088 -77.029 -77.695 1.00 0.00 C ATOM 33105 C6 U B1539 22.673 -78.196 -78.220 1.00 0.00 C ATOM 33106 P G B1540 23.786 -83.544 -76.354 1.00 0.00 P ATOM 33107 O1P G B1540 23.510 -84.940 -75.944 1.00 0.00 O ATOM 33108 O2P G B1540 23.606 -82.516 -75.306 1.00 0.00 O ATOM 33109 O5* G B1540 25.260 -83.442 -76.966 1.00 0.00 O ATOM 33110 C5* G B1540 25.620 -84.297 -78.067 1.00 0.00 C ATOM 33111 C4* G B1540 27.009 -83.948 -78.563 1.00 0.00 C ATOM 33112 O4* G B1540 26.970 -82.624 -79.173 1.00 0.00 O ATOM 33113 C3* G B1540 28.088 -83.828 -77.488 1.00 0.00 C ATOM 33114 O3* G B1540 28.631 -85.070 -77.170 1.00 0.00 O ATOM 33115 C2* G B1540 29.100 -82.899 -78.156 1.00 0.00 C ATOM 33116 O2* G B1540 29.863 -83.597 -79.126 1.00 0.00 O ATOM 33117 C1* G B1540 28.187 -81.942 -78.912 1.00 0.00 C ATOM 33118 N9 G B1540 27.863 -80.697 -78.157 1.00 0.00 N ATOM 33119 C8 G B1540 26.690 -80.340 -77.530 1.00 0.00 C ATOM 33120 N7 G B1540 26.731 -79.165 -76.947 1.00 0.00 N ATOM 33121 C5 G B1540 28.026 -78.714 -77.206 1.00 0.00 C ATOM 33122 C6 G B1540 28.665 -77.503 -76.831 1.00 0.00 C ATOM 33123 O6 G B1540 28.212 -76.564 -76.182 1.00 0.00 O ATOM 33124 N1 G B1540 29.982 -77.453 -77.303 1.00 0.00 N ATOM 33125 C2 G B1540 30.607 -78.439 -78.042 1.00 0.00 C ATOM 33126 N2 G B1540 31.867 -78.200 -78.397 1.00 0.00 N ATOM 33127 N3 G B1540 30.004 -79.574 -78.393 1.00 0.00 N ATOM 33128 C4 G B1540 28.723 -79.644 -77.943 1.00 0.00 C ATOM 33129 P C B1541 29.109 -85.345 -75.630 1.00 0.00 P ATOM 33130 O1P C B1541 29.302 -86.796 -75.406 1.00 0.00 O ATOM 33131 O2P C B1541 28.180 -84.668 -74.699 1.00 0.00 O ATOM 33132 O5* C B1541 30.529 -84.603 -75.622 1.00 0.00 O ATOM 33133 C5* C B1541 31.555 -85.047 -76.526 1.00 0.00 C ATOM 33134 C4* C B1541 32.758 -84.131 -76.434 1.00 0.00 C ATOM 33135 O4* C B1541 32.396 -82.823 -76.966 1.00 0.00 O ATOM 33136 C3* C B1541 33.260 -83.829 -75.023 1.00 0.00 C ATOM 33137 O3* C B1541 34.114 -84.828 -74.560 1.00 0.00 O ATOM 33138 C2* C B1541 33.968 -82.490 -75.214 1.00 0.00 C ATOM 33139 O2* C B1541 35.227 -82.670 -75.840 1.00 0.00 O ATOM 33140 C1* C B1541 33.058 -81.805 -76.233 1.00 0.00 C ATOM 33141 N1 C B1541 32.025 -80.931 -75.618 1.00 0.00 N ATOM 33142 C2 C B1541 32.436 -79.708 -75.094 1.00 0.00 C ATOM 33143 O2 C B1541 33.632 -79.403 -75.159 1.00 0.00 O ATOM 33144 N3 C B1541 31.507 -78.895 -74.529 1.00 0.00 N ATOM 33145 C4 C B1541 30.219 -79.261 -74.477 1.00 0.00 C ATOM 33146 N4 C B1541 29.352 -78.432 -73.918 1.00 0.00 N ATOM 33147 C5 C B1541 29.774 -80.514 -75.013 1.00 0.00 C ATOM 33148 C6 C B1541 30.719 -81.312 -75.572 1.00 0.00 C ATOM 33149 P U B1542 34.109 -85.191 -72.969 1.00 0.00 P ATOM 33150 O1P U B1542 34.786 -86.487 -72.735 1.00 0.00 O ATOM 33151 O2P U B1542 32.729 -85.081 -72.444 1.00 0.00 O ATOM 33152 O5* U B1542 35.007 -84.000 -72.386 1.00 0.00 O ATOM 33153 C5* U B1542 36.366 -83.864 -72.838 1.00 0.00 C ATOM 33154 C4* U B1542 36.984 -82.609 -72.259 1.00 0.00 C ATOM 33155 O4* U B1542 36.324 -81.446 -72.841 1.00 0.00 O ATOM 33156 C3* U B1542 36.805 -82.412 -70.752 1.00 0.00 C ATOM 33157 O3* U B1542 37.780 -83.100 -70.028 1.00 0.00 O ATOM 33158 C2* U B1542 36.926 -80.898 -70.610 1.00 0.00 C ATOM 33159 O2* U B1542 38.280 -80.489 -70.703 1.00 0.00 O ATOM 33160 C1* U B1542 36.225 -80.413 -71.875 1.00 0.00 C ATOM 33161 N1 U B1542 34.780 -80.102 -71.680 1.00 0.00 N ATOM 33162 C2 U B1542 34.475 -78.947 -71.001 1.00 0.00 C ATOM 33163 O2 U B1542 35.325 -78.188 -70.568 1.00 0.00 O ATOM 33164 N3 U B1542 33.127 -78.695 -70.839 1.00 0.00 N ATOM 33165 C4 U B1542 32.086 -79.482 -71.288 1.00 0.00 C ATOM 33166 O4 U B1542 30.917 -79.149 -71.083 1.00 0.00 O ATOM 33167 C5 U B1542 32.506 -80.673 -71.987 1.00 0.00 C ATOM 33168 C6 U B1542 33.811 -80.944 -72.160 1.00 0.00 C ATOM 33169 P G B1543 38.821 -82.295 -68.614 1.00 0.00 P ATOM 33170 O1P G B1543 37.874 -81.590 -67.718 1.00 0.00 O ATOM 33171 O2P G B1543 39.890 -81.459 -69.206 1.00 0.00 O ATOM 33172 O5* G B1543 39.777 -83.529 -67.556 1.00 0.00 O ATOM 33173 C5* G B1543 40.794 -83.333 -66.465 1.00 0.00 C ATOM 33174 C4* G B1543 40.454 -82.814 -64.919 1.00 0.00 C ATOM 33175 O4* G B1543 40.386 -83.812 -63.866 1.00 0.00 O ATOM 33176 C3* G B1543 41.057 -81.592 -64.228 1.00 0.00 C ATOM 33177 O3* G B1543 40.625 -80.245 -64.924 1.00 0.00 O ATOM 33178 C2* G B1543 40.439 -81.677 -62.831 1.00 0.00 C ATOM 33179 O2* G B1543 39.093 -81.248 -62.851 1.00 0.00 O ATOM 33180 C1* G B1543 40.421 -83.187 -62.597 1.00 0.00 C ATOM 33181 N9 G B1543 41.784 -83.799 -61.725 1.00 0.00 N ATOM 33182 C8 G B1543 42.790 -84.634 -62.162 1.00 0.00 C ATOM 33183 N7 G B1543 43.594 -85.043 -61.209 1.00 0.00 N ATOM 33184 C5 G B1543 43.085 -84.432 -60.060 1.00 0.00 C ATOM 33185 C6 G B1543 43.534 -84.499 -58.715 1.00 0.00 C ATOM 33186 O6 G B1543 44.487 -85.118 -58.251 1.00 0.00 O ATOM 33187 N1 G B1543 42.725 -83.728 -57.871 1.00 0.00 N ATOM 33188 C2 G B1543 41.629 -82.989 -58.270 1.00 0.00 C ATOM 33189 N2 G B1543 40.988 -82.322 -57.307 1.00 0.00 N ATOM 33190 N3 G B1543 41.207 -82.924 -59.533 1.00 0.00 N ATOM 33191 C4 G B1543 41.985 -83.670 -60.367 1.00 0.00 C ATOM 33192 P A B1544 39.927 -78.812 -63.995 1.00 0.00 P ATOM 33193 O1P A B1544 38.803 -79.077 -63.069 1.00 0.00 O ATOM 33194 O2P A B1544 39.721 -77.715 -64.966 1.00 0.00 O ATOM 33195 O5* A B1544 41.448 -78.722 -63.003 1.00 0.00 O ATOM 33196 C5* A B1544 41.776 -79.678 -61.980 1.00 0.00 C ATOM 33197 C4* A B1544 40.793 -79.600 -60.705 1.00 0.00 C ATOM 33198 O4* A B1544 39.479 -80.216 -60.614 1.00 0.00 O ATOM 33199 C3* A B1544 41.261 -79.505 -59.252 1.00 0.00 C ATOM 33200 O3* A B1544 42.366 -78.537 -58.880 1.00 0.00 O ATOM 33201 C2* A B1544 39.958 -79.201 -58.515 1.00 0.00 C ATOM 33202 O2* A B1544 39.582 -77.850 -58.698 1.00 0.00 O ATOM 33203 C1* A B1544 38.958 -80.046 -59.305 1.00 0.00 C ATOM 33204 N9 A B1544 38.649 -81.602 -58.638 1.00 0.00 N ATOM 33205 C8 A B1544 39.067 -82.834 -59.107 1.00 0.00 C ATOM 33206 N7 A B1544 38.518 -83.843 -58.493 1.00 0.00 N ATOM 33207 C5 A B1544 37.683 -83.246 -57.558 1.00 0.00 C ATOM 33208 C6 A B1544 36.822 -83.781 -56.587 1.00 0.00 C ATOM 33209 N6 A B1544 36.646 -85.101 -56.393 1.00 0.00 N ATOM 33210 N1 A B1544 36.135 -82.912 -55.822 1.00 0.00 N ATOM 33211 C2 A B1544 36.310 -81.606 -56.017 1.00 0.00 C ATOM 33212 N3 A B1544 37.090 -80.997 -56.884 1.00 0.00 N ATOM 33213 C4 A B1544 37.760 -81.888 -57.638 1.00 0.00 C ATOM 33214 P A B1545 43.138 -77.400 -60.089 1.00 0.00 P ATOM 33215 O1P A B1545 43.680 -77.974 -61.338 1.00 0.00 O ATOM 33216 O2P A B1545 44.086 -76.588 -59.287 1.00 0.00 O ATOM 33217 O5* A B1545 41.676 -76.420 -60.710 1.00 0.00 O ATOM 33218 C5* A B1545 40.931 -75.825 -61.871 1.00 0.00 C ATOM 33219 C4* A B1545 41.592 -75.771 -63.400 1.00 0.00 C ATOM 33220 O4* A B1545 42.822 -76.495 -63.695 1.00 0.00 O ATOM 33221 C3* A B1545 41.055 -75.383 -64.775 1.00 0.00 C ATOM 33222 O3* A B1545 39.944 -75.034 -65.732 1.00 0.00 O ATOM 33223 C2* A B1545 42.337 -75.095 -65.553 1.00 0.00 C ATOM 33224 O2* A B1545 42.872 -73.835 -65.184 1.00 0.00 O ATOM 33225 C1* A B1545 43.279 -76.156 -64.993 1.00 0.00 C ATOM 33226 N9 A B1545 43.372 -77.558 -65.905 1.00 0.00 N ATOM 33227 C8 A B1545 43.065 -77.736 -67.236 1.00 0.00 C ATOM 33228 N7 A B1545 43.076 -78.978 -67.620 1.00 0.00 N ATOM 33229 C5 A B1545 43.412 -79.678 -66.471 1.00 0.00 C ATOM 33230 C6 A B1545 43.581 -81.047 -66.214 1.00 0.00 C ATOM 33231 N6 A B1545 43.436 -82.000 -67.145 1.00 0.00 N ATOM 33232 N1 A B1545 43.913 -81.405 -64.961 1.00 0.00 N ATOM 33233 C2 A B1545 44.059 -80.457 -64.036 1.00 0.00 C ATOM 33234 N3 A B1545 43.922 -79.157 -64.156 1.00 0.00 N ATOM 33235 C4 A B1545 43.591 -78.824 -65.423 1.00 0.00 C ATOM 33236 P G B1546 40.488 -74.195 -67.339 1.00 0.00 P ATOM 33237 O1P G B1546 39.299 -73.504 -67.898 1.00 0.00 O ATOM 33238 O2P G B1546 41.103 -75.222 -68.207 1.00 0.00 O ATOM 33239 O5* G B1546 41.819 -72.904 -66.970 1.00 0.00 O ATOM 33240 C5* G B1546 43.012 -71.983 -67.263 1.00 0.00 C ATOM 33241 C4* G B1546 43.314 -70.739 -66.159 1.00 0.00 C ATOM 33242 O4* G B1546 42.570 -71.272 -65.028 1.00 0.00 O ATOM 33243 C3* G B1546 44.566 -70.129 -65.526 1.00 0.00 C ATOM 33244 O3* G B1546 45.637 -69.104 -66.231 1.00 0.00 O ATOM 33245 C2* G B1546 44.019 -69.576 -64.212 1.00 0.00 C ATOM 33246 O2* G B1546 43.308 -68.371 -64.430 1.00 0.00 O ATOM 33247 C1* G B1546 42.996 -70.639 -63.832 1.00 0.00 C ATOM 33248 N9 G B1546 43.597 -71.879 -62.730 1.00 0.00 N ATOM 33249 C8 G B1546 43.270 -72.103 -61.415 1.00 0.00 C ATOM 33250 N7 G B1546 43.818 -73.174 -60.900 1.00 0.00 N ATOM 33251 C5 G B1546 44.565 -73.700 -61.952 1.00 0.00 C ATOM 33252 C6 G B1546 45.382 -74.858 -62.001 1.00 0.00 C ATOM 33253 O6 G B1546 45.619 -75.675 -61.115 1.00 0.00 O ATOM 33254 N1 G B1546 45.962 -75.022 -63.266 1.00 0.00 N ATOM 33255 C2 G B1546 45.777 -74.180 -64.343 1.00 0.00 C ATOM 33256 N2 G B1546 46.416 -74.505 -65.465 1.00 0.00 N ATOM 33257 N3 G B1546 45.010 -73.093 -64.296 1.00 0.00 N ATOM 33258 C4 G B1546 44.442 -72.917 -63.074 1.00 0.00 C ATOM 33259 P C B1547 46.707 -67.662 -65.571 1.00 0.00 P ATOM 33260 O1P C B1547 46.072 -66.393 -65.989 1.00 0.00 O ATOM 33261 O2P C B1547 48.155 -67.780 -65.849 1.00 0.00 O ATOM 33262 O5* C B1547 46.430 -67.919 -64.015 1.00 0.00 O ATOM 33263 C5* C B1547 45.207 -67.429 -63.435 1.00 0.00 C ATOM 33264 C4* C B1547 45.097 -67.889 -61.996 1.00 0.00 C ATOM 33265 O4* C B1547 44.917 -69.334 -61.974 1.00 0.00 O ATOM 33266 C3* C B1547 46.335 -67.658 -61.125 1.00 0.00 C ATOM 33267 O3* C B1547 46.360 -66.370 -60.603 1.00 0.00 O ATOM 33268 C2* C B1547 46.170 -68.729 -60.048 1.00 0.00 C ATOM 33269 O2* C B1547 45.189 -68.343 -59.101 1.00 0.00 O ATOM 33270 C1* C B1547 45.585 -69.886 -60.848 1.00 0.00 C ATOM 33271 N1 C B1547 46.606 -70.847 -61.349 1.00 0.00 N ATOM 33272 C2 C B1547 47.185 -71.716 -60.427 1.00 0.00 C ATOM 33273 O2 C B1547 46.829 -71.653 -59.243 1.00 0.00 O ATOM 33274 N3 C B1547 48.120 -72.602 -60.860 1.00 0.00 N ATOM 33275 C4 C B1547 48.477 -72.635 -62.150 1.00 0.00 C ATOM 33276 N4 C B1547 49.393 -73.517 -62.522 1.00 0.00 N ATOM 33277 C5 C B1547 47.895 -71.752 -63.115 1.00 0.00 C ATOM 33278 C6 C B1547 46.963 -70.875 -62.661 1.00 0.00 C ATOM 33279 P A B1548 47.803 -65.636 -60.394 1.00 0.00 P ATOM 33280 O1P A B1548 47.613 -64.181 -60.189 1.00 0.00 O ATOM 33281 O2P A B1548 48.712 -66.015 -61.498 1.00 0.00 O ATOM 33282 O5* A B1548 48.290 -66.313 -59.030 1.00 0.00 O ATOM 33283 C5* A B1548 47.494 -66.146 -57.844 1.00 0.00 C ATOM 33284 C4* A B1548 48.073 -66.968 -56.709 1.00 0.00 C ATOM 33285 O4* A B1548 47.900 -68.382 -57.021 1.00 0.00 O ATOM 33286 C3* A B1548 49.574 -66.822 -56.477 1.00 0.00 C ATOM 33287 O3* A B1548 49.863 -65.717 -55.679 1.00 0.00 O ATOM 33288 C2* A B1548 49.923 -68.145 -55.798 1.00 0.00 C ATOM 33289 O2* A B1548 49.512 -68.140 -54.441 1.00 0.00 O ATOM 33290 C1* A B1548 49.011 -69.118 -56.536 1.00 0.00 C ATOM 33291 N9 A B1548 49.663 -69.787 -57.698 1.00 0.00 N ATOM 33292 C8 A B1548 49.482 -69.561 -59.043 1.00 0.00 C ATOM 33293 N7 A B1548 50.207 -70.317 -59.808 1.00 0.00 N ATOM 33294 C5 A B1548 50.926 -71.103 -58.916 1.00 0.00 C ATOM 33295 C6 A B1548 51.881 -72.115 -59.104 1.00 0.00 C ATOM 33296 N6 A B1548 52.294 -72.528 -60.312 1.00 0.00 N ATOM 33297 N1 A B1548 52.397 -72.691 -58.004 1.00 0.00 N ATOM 33298 C2 A B1548 51.982 -72.276 -56.807 1.00 0.00 C ATOM 33299 N3 A B1548 51.102 -71.346 -56.512 1.00 0.00 N ATOM 33300 C4 A B1548 50.600 -70.785 -57.629 1.00 0.00 C ATOM 33301 P A B1549 51.244 -64.890 -55.953 1.00 0.00 P ATOM 33302 O1P A B1549 51.195 -63.573 -55.279 1.00 0.00 O ATOM 33303 O2P A B1549 51.520 -64.860 -57.406 1.00 0.00 O ATOM 33304 O5* A B1549 52.309 -65.834 -55.218 1.00 0.00 O ATOM 33305 C5* A B1549 52.171 -66.075 -53.807 1.00 0.00 C ATOM 33306 C4* A B1549 53.203 -67.086 -53.350 1.00 0.00 C ATOM 33307 O4* A B1549 52.886 -68.381 -53.938 1.00 0.00 O ATOM 33308 C3* A B1549 54.640 -66.820 -53.800 1.00 0.00 C ATOM 33309 O3* A B1549 55.286 -65.932 -52.943 1.00 0.00 O ATOM 33310 C2* A B1549 55.249 -68.220 -53.763 1.00 0.00 C ATOM 33311 O2* A B1549 55.527 -68.616 -52.432 1.00 0.00 O ATOM 33312 C1* A B1549 54.082 -69.076 -54.247 1.00 0.00 C ATOM 33313 N9 A B1549 54.098 -69.337 -55.712 1.00 0.00 N ATOM 33314 C8 A B1549 53.304 -68.796 -56.699 1.00 0.00 C ATOM 33315 N7 A B1549 53.572 -69.234 -57.890 1.00 0.00 N ATOM 33316 C5 A B1549 54.616 -70.130 -57.691 1.00 0.00 C ATOM 33317 C6 A B1549 55.353 -70.934 -58.574 1.00 0.00 C ATOM 33318 N6 A B1549 55.141 -70.968 -59.898 1.00 0.00 N ATOM 33319 N1 A B1549 56.320 -71.707 -58.048 1.00 0.00 N ATOM 33320 C2 A B1549 56.526 -71.670 -56.731 1.00 0.00 C ATOM 33321 N3 A B1549 55.904 -70.961 -55.813 1.00 0.00 N ATOM 33322 C4 A B1549 54.943 -70.197 -56.368 1.00 0.00 C ATOM 33323 P C B1550 56.387 -64.899 -53.569 1.00 0.00 P ATOM 33324 O1P C B1550 56.679 -63.816 -52.603 1.00 0.00 O ATOM 33325 O2P C B1550 55.943 -64.463 -54.912 1.00 0.00 O ATOM 33326 O5* C B1550 57.658 -65.860 -53.705 1.00 0.00 O ATOM 33327 C5* C B1550 58.199 -66.475 -52.520 1.00 0.00 C ATOM 33328 C4* C B1550 59.308 -67.436 -52.894 1.00 0.00 C ATOM 33329 O4* C B1550 58.734 -68.563 -53.615 1.00 0.00 O ATOM 33330 C3* C B1550 60.367 -66.890 -53.854 1.00 0.00 C ATOM 33331 O3* C B1550 61.355 -66.178 -53.175 1.00 0.00 O ATOM 33332 C2* C B1550 60.901 -68.164 -54.502 1.00 0.00 C ATOM 33333 O2* C B1550 61.770 -68.853 -53.617 1.00 0.00 O ATOM 33334 C1* C B1550 59.633 -69.004 -54.620 1.00 0.00 C ATOM 33335 N1 C B1550 58.950 -68.874 -55.937 1.00 0.00 N ATOM 33336 C2 C B1550 59.529 -69.509 -57.035 1.00 0.00 C ATOM 33337 O2 C B1550 60.577 -70.146 -56.869 1.00 0.00 O ATOM 33338 N3 C B1550 58.924 -69.403 -58.245 1.00 0.00 N ATOM 33339 C4 C B1550 57.791 -68.703 -58.379 1.00 0.00 C ATOM 33340 N4 C B1550 57.239 -68.630 -59.582 1.00 0.00 N ATOM 33341 C5 C B1550 57.178 -68.043 -57.266 1.00 0.00 C ATOM 33342 C6 C B1550 57.802 -68.161 -56.065 1.00 0.00 C ATOM 33343 P A B1551 62.044 -64.892 -53.910 1.00 0.00 P ATOM 33344 O1P A B1551 62.774 -64.067 -52.921 1.00 0.00 O ATOM 33345 O2P A B1551 61.025 -64.182 -54.715 1.00 0.00 O ATOM 33346 O5* A B1551 63.085 -65.624 -54.878 1.00 0.00 O ATOM 33347 C5* A B1551 64.113 -66.450 -54.304 1.00 0.00 C ATOM 33348 C4* A B1551 64.900 -67.140 -55.400 1.00 0.00 C ATOM 33349 O4* A B1551 64.037 -68.107 -56.065 1.00 0.00 O ATOM 33350 C3* A B1551 65.388 -66.239 -56.536 1.00 0.00 C ATOM 33351 O3* A B1551 66.590 -65.613 -56.211 1.00 0.00 O ATOM 33352 C2* A B1551 65.533 -67.231 -57.689 1.00 0.00 C ATOM 33353 O2* A B1551 66.707 -68.009 -57.535 1.00 0.00 O ATOM 33354 C1* A B1551 64.349 -68.160 -57.448 1.00 0.00 C ATOM 33355 N9 A B1551 63.127 -67.779 -58.211 1.00 0.00 N ATOM 33356 C8 A B1551 61.967 -67.193 -57.752 1.00 0.00 C ATOM 33357 N7 A B1551 61.082 -66.988 -58.679 1.00 0.00 N ATOM 33358 C5 A B1551 61.684 -67.469 -59.833 1.00 0.00 C ATOM 33359 C6 A B1551 61.255 -67.540 -61.167 1.00 0.00 C ATOM 33360 N6 A B1551 60.056 -67.104 -61.582 1.00 0.00 N ATOM 33361 N1 A B1551 62.103 -68.077 -62.065 1.00 0.00 N ATOM 33362 C2 A B1551 63.290 -68.508 -61.646 1.00 0.00 C ATOM 33363 N3 A B1551 63.800 -68.493 -60.432 1.00 0.00 N ATOM 33364 C4 A B1551 62.931 -67.951 -59.554 1.00 0.00 C ATOM 33365 P A B1552 67.148 -63.960 -56.803 1.00 0.00 P ATOM 33366 O1P A B1552 68.627 -63.905 -56.828 1.00 0.00 O ATOM 33367 O2P A B1552 66.481 -62.887 -56.030 1.00 0.00 O ATOM 33368 O5* A B1552 66.488 -64.093 -58.506 1.00 0.00 O ATOM 33369 C5* A B1552 65.447 -63.723 -59.444 1.00 0.00 C ATOM 33370 C4* A B1552 64.030 -63.885 -58.670 1.00 0.00 C ATOM 33371 O4* A B1552 64.253 -63.879 -57.232 1.00 0.00 O ATOM 33372 C3* A B1552 62.744 -63.070 -58.840 1.00 0.00 C ATOM 33373 O3* A B1552 62.012 -63.697 -60.116 1.00 0.00 O ATOM 33374 C2* A B1552 61.945 -63.470 -57.604 1.00 0.00 C ATOM 33375 O2* A B1552 61.380 -64.764 -57.766 1.00 0.00 O ATOM 33376 C1* A B1552 63.042 -63.592 -56.557 1.00 0.00 C ATOM 33377 N9 A B1552 63.271 -62.218 -55.620 1.00 0.00 N ATOM 33378 C8 A B1552 64.457 -61.643 -55.229 1.00 0.00 C ATOM 33379 N7 A B1552 64.323 -60.713 -54.334 1.00 0.00 N ATOM 33380 C5 A B1552 62.954 -60.664 -54.104 1.00 0.00 C ATOM 33381 C6 A B1552 62.166 -59.883 -53.249 1.00 0.00 C ATOM 33382 N6 A B1552 62.675 -58.945 -52.436 1.00 0.00 N ATOM 33383 N1 A B1552 60.834 -60.081 -53.271 1.00 0.00 N ATOM 33384 C2 A B1552 60.342 -61.008 -54.089 1.00 0.00 C ATOM 33385 N3 A B1552 60.980 -61.808 -54.925 1.00 0.00 N ATOM 33386 C4 A B1552 62.309 -61.576 -54.886 1.00 0.00 C ATOM 33387 P A B1553 60.171 -63.464 -60.211 1.00 0.00 P ATOM 33388 O1P A B1553 59.890 -62.667 -61.427 1.00 0.00 O ATOM 33389 O2P A B1553 59.708 -62.880 -58.935 1.00 0.00 O ATOM 33390 O5* A B1553 59.307 -65.079 -60.507 1.00 0.00 O ATOM 33391 C5* A B1553 58.035 -65.223 -61.264 1.00 0.00 C ATOM 33392 C4* A B1553 57.020 -63.934 -61.355 1.00 0.00 C ATOM 33393 O4* A B1553 56.207 -63.638 -62.527 1.00 0.00 O ATOM 33394 C3* A B1553 56.123 -63.539 -60.177 1.00 0.00 C ATOM 33395 O3* A B1553 57.045 -63.122 -59.007 1.00 0.00 O ATOM 33396 C2* A B1553 55.390 -62.314 -60.727 1.00 0.00 C ATOM 33397 O2* A B1553 56.243 -61.180 -60.722 1.00 0.00 O ATOM 33398 C1* A B1553 55.188 -62.707 -62.189 1.00 0.00 C ATOM 33399 N9 A B1553 53.701 -63.405 -62.525 1.00 0.00 N ATOM 33400 C8 A B1553 53.428 -64.713 -62.876 1.00 0.00 C ATOM 33401 N7 A B1553 52.214 -64.905 -63.281 1.00 0.00 N ATOM 33402 C5 A B1553 51.628 -63.649 -63.201 1.00 0.00 C ATOM 33403 C6 A B1553 50.336 -63.186 -63.490 1.00 0.00 C ATOM 33404 N6 A B1553 49.354 -63.976 -63.953 1.00 0.00 N ATOM 33405 N1 A B1553 50.085 -61.878 -63.295 1.00 0.00 N ATOM 33406 C2 A B1553 51.065 -61.101 -62.837 1.00 0.00 C ATOM 33407 N3 A B1553 52.306 -61.418 -62.533 1.00 0.00 N ATOM 33408 C4 A B1553 52.529 -62.736 -62.739 1.00 0.00 C ATOM 33409 P U B1554 56.935 -64.204 -57.575 1.00 0.00 P ATOM 33410 O1P U B1554 58.157 -64.191 -56.735 1.00 0.00 O ATOM 33411 O2P U B1554 56.416 -65.544 -57.932 1.00 0.00 O ATOM 33412 O5* U B1554 55.646 -63.075 -56.980 1.00 0.00 O ATOM 33413 C5* U B1554 54.895 -62.230 -57.877 1.00 0.00 C ATOM 33414 C4* U B1554 54.904 -60.627 -57.546 1.00 0.00 C ATOM 33415 O4* U B1554 53.720 -59.923 -58.018 1.00 0.00 O ATOM 33416 C3* U B1554 55.059 -60.166 -56.101 1.00 0.00 C ATOM 33417 O3* U B1554 56.524 -60.511 -55.608 1.00 0.00 O ATOM 33418 C2* U B1554 54.605 -58.708 -56.177 1.00 0.00 C ATOM 33419 O2* U B1554 55.615 -57.899 -56.752 1.00 0.00 O ATOM 33420 C1* U B1554 53.471 -58.793 -57.194 1.00 0.00 C ATOM 33421 N1 U B1554 51.899 -58.958 -56.506 1.00 0.00 N ATOM 33422 C2 U B1554 51.305 -57.820 -56.027 1.00 0.00 C ATOM 33423 O2 U B1554 51.848 -56.724 -56.060 1.00 0.00 O ATOM 33424 N3 U B1554 50.042 -57.983 -55.500 1.00 0.00 N ATOM 33425 C4 U B1554 49.339 -59.167 -55.410 1.00 0.00 C ATOM 33426 O4 U B1554 48.206 -59.192 -54.918 1.00 0.00 O ATOM 33427 C5 U B1554 50.043 -60.310 -55.939 1.00 0.00 C ATOM 33428 C6 U B1554 51.278 -60.177 -56.458 1.00 0.00 C ATOM 33429 P G B1555 57.401 -59.390 -54.425 1.00 0.00 P ATOM 33430 O1P G B1555 57.995 -60.040 -53.236 1.00 0.00 O ATOM 33431 O2P G B1555 56.423 -58.314 -54.150 1.00 0.00 O ATOM 33432 O5* G B1555 58.564 -58.838 -55.376 1.00 0.00 O ATOM 33433 C5* G B1555 59.895 -58.701 -54.846 1.00 0.00 C ATOM 33434 C4* G B1555 60.852 -58.285 -55.945 1.00 0.00 C ATOM 33435 O4* G B1555 60.985 -59.381 -56.895 1.00 0.00 O ATOM 33436 C3* G B1555 60.400 -57.105 -56.808 1.00 0.00 C ATOM 33437 O3* G B1555 60.718 -55.886 -56.214 1.00 0.00 O ATOM 33438 C2* G B1555 61.171 -57.345 -58.105 1.00 0.00 C ATOM 33439 O2* G B1555 62.532 -56.978 -57.958 1.00 0.00 O ATOM 33440 C1* G B1555 61.130 -58.868 -58.208 1.00 0.00 C ATOM 33441 N9 G B1555 60.001 -59.381 -59.032 1.00 0.00 N ATOM 33442 C8 G B1555 58.837 -59.996 -58.626 1.00 0.00 C ATOM 33443 N7 G B1555 58.040 -60.333 -59.613 1.00 0.00 N ATOM 33444 C5 G B1555 58.726 -59.909 -60.752 1.00 0.00 C ATOM 33445 C6 G B1555 58.364 -59.998 -62.120 1.00 0.00 C ATOM 33446 O6 G B1555 57.350 -60.478 -62.619 1.00 0.00 O ATOM 33447 N1 G B1555 59.350 -59.444 -62.947 1.00 0.00 N ATOM 33448 C2 G B1555 60.532 -58.875 -62.508 1.00 0.00 C ATOM 33449 N2 G B1555 61.342 -58.400 -63.456 1.00 0.00 N ATOM 33450 N3 G B1555 60.868 -58.792 -61.224 1.00 0.00 N ATOM 33451 C4 G B1555 59.923 -59.326 -60.407 1.00 0.00 C ATOM 33452 P C B1556 59.710 -54.620 -56.432 1.00 0.00 P ATOM 33453 O1P C B1556 60.009 -53.553 -55.449 1.00 0.00 O ATOM 33454 O2P C B1556 58.312 -55.103 -56.456 1.00 0.00 O ATOM 33455 O5* C B1556 60.143 -54.141 -57.894 1.00 0.00 O ATOM 33456 C5* C B1556 61.501 -53.713 -58.117 1.00 0.00 C ATOM 33457 C4* C B1556 61.721 -53.428 -59.587 1.00 0.00 C ATOM 33458 O4* C B1556 61.644 -54.680 -60.329 1.00 0.00 O ATOM 33459 C3* C B1556 60.671 -52.540 -60.259 1.00 0.00 C ATOM 33460 O3* C B1556 60.943 -51.189 -60.063 1.00 0.00 O ATOM 33461 C2* C B1556 60.785 -52.958 -61.724 1.00 0.00 C ATOM 33462 O2* C B1556 61.938 -52.387 -62.318 1.00 0.00 O ATOM 33463 C1* C B1556 61.048 -54.454 -61.595 1.00 0.00 C ATOM 33464 N1 C B1556 59.812 -55.287 -61.678 1.00 0.00 N ATOM 33465 C2 C B1556 59.219 -55.446 -62.927 1.00 0.00 C ATOM 33466 O2 C B1556 59.736 -54.897 -63.908 1.00 0.00 O ATOM 33467 N3 C B1556 58.094 -56.198 -63.024 1.00 0.00 N ATOM 33468 C4 C B1556 57.567 -56.777 -61.937 1.00 0.00 C ATOM 33469 N4 C B1556 56.467 -57.503 -62.083 1.00 0.00 N ATOM 33470 C5 C B1556 58.161 -56.626 -60.642 1.00 0.00 C ATOM 33471 C6 C B1556 59.282 -55.868 -60.568 1.00 0.00 C ATOM 33472 P C B1557 59.694 -50.148 -59.913 1.00 0.00 P ATOM 33473 O1P C B1557 60.161 -48.861 -59.353 1.00 0.00 O ATOM 33474 O2P C B1557 58.591 -50.807 -59.179 1.00 0.00 O ATOM 33475 O5* C B1557 59.281 -49.954 -61.447 1.00 0.00 O ATOM 33476 C5* C B1557 60.246 -49.411 -62.365 1.00 0.00 C ATOM 33477 C4* C B1557 59.690 -49.431 -63.774 1.00 0.00 C ATOM 33478 O4* C B1557 59.566 -50.816 -64.212 1.00 0.00 O ATOM 33479 C3* C B1557 58.281 -48.861 -63.944 1.00 0.00 C ATOM 33480 O3* C B1557 58.302 -47.475 -64.085 1.00 0.00 O ATOM 33481 C2* C B1557 57.797 -49.576 -65.205 1.00 0.00 C ATOM 33482 O2* C B1557 58.381 -49.002 -66.363 1.00 0.00 O ATOM 33483 C1* C B1557 58.418 -50.959 -65.033 1.00 0.00 C ATOM 33484 N1 C B1557 57.507 -51.945 -64.384 1.00 0.00 N ATOM 33485 C2 C B1557 56.458 -52.456 -65.143 1.00 0.00 C ATOM 33486 O2 C B1557 56.325 -52.074 -66.311 1.00 0.00 O ATOM 33487 N3 C B1557 55.618 -53.355 -64.570 1.00 0.00 N ATOM 33488 C4 C B1557 55.796 -53.744 -63.299 1.00 0.00 C ATOM 33489 N4 C B1557 54.949 -54.624 -62.787 1.00 0.00 N ATOM 33490 C5 C B1557 56.871 -53.229 -62.504 1.00 0.00 C ATOM 33491 C6 C B1557 57.696 -52.330 -63.097 1.00 0.00 C ATOM 33492 P C B1558 57.807 -46.489 -62.599 1.00 0.00 P ATOM 33493 O1P C B1558 56.501 -45.827 -62.823 1.00 0.00 O ATOM 33494 O2P C B1558 58.918 -45.603 -62.182 1.00 0.00 O ATOM 33495 O5* C B1558 57.604 -47.895 -61.441 1.00 0.00 O ATOM 33496 C5* C B1558 56.772 -48.368 -60.351 1.00 0.00 C ATOM 33497 C4* C B1558 55.214 -48.582 -60.779 1.00 0.00 C ATOM 33498 O4* C B1558 54.818 -47.821 -61.956 1.00 0.00 O ATOM 33499 C3* C B1558 54.576 -49.956 -60.992 1.00 0.00 C ATOM 33500 O3* C B1558 54.550 -50.941 -59.765 1.00 0.00 O ATOM 33501 C2* C B1558 53.261 -49.591 -61.671 1.00 0.00 C ATOM 33502 O2* C B1558 52.329 -49.085 -60.725 1.00 0.00 O ATOM 33503 C1* C B1558 53.681 -48.417 -62.554 1.00 0.00 C ATOM 33504 N1 C B1558 54.080 -48.842 -64.162 1.00 0.00 N ATOM 33505 C2 C B1558 53.243 -49.738 -64.824 1.00 0.00 C ATOM 33506 O2 C B1558 52.260 -50.190 -64.225 1.00 0.00 O ATOM 33507 N3 C B1558 53.540 -50.086 -66.099 1.00 0.00 N ATOM 33508 C4 C B1558 54.614 -49.576 -66.714 1.00 0.00 C ATOM 33509 N4 C B1558 54.864 -49.943 -67.965 1.00 0.00 N ATOM 33510 C5 C B1558 55.489 -48.653 -66.052 1.00 0.00 C ATOM 33511 C6 C B1558 55.174 -48.318 -64.777 1.00 0.00 C ATOM 33512 P U B1559 54.059 -50.259 -58.106 1.00 0.00 P ATOM 33513 O1P U B1559 52.590 -50.126 -58.006 1.00 0.00 O ATOM 33514 O2P U B1559 54.834 -49.016 -57.878 1.00 0.00 O ATOM 33515 O5* U B1559 54.628 -51.527 -56.882 1.00 0.00 O ATOM 33516 C5* U B1559 55.272 -51.499 -55.556 1.00 0.00 C ATOM 33517 C4* U B1559 54.353 -51.365 -54.194 1.00 0.00 C ATOM 33518 O4* U B1559 53.524 -52.504 -53.842 1.00 0.00 O ATOM 33519 C3* U B1559 54.869 -50.849 -52.845 1.00 0.00 C ATOM 33520 O3* U B1559 55.843 -49.728 -52.582 1.00 0.00 O ATOM 33521 C2* U B1559 53.667 -51.096 -51.935 1.00 0.00 C ATOM 33522 O2* U B1559 52.663 -50.116 -52.147 1.00 0.00 O ATOM 33523 C1* U B1559 53.131 -52.411 -52.480 1.00 0.00 C ATOM 33524 N1 U B1559 53.686 -53.790 -51.670 1.00 0.00 N ATOM 33525 C2 U B1559 52.881 -54.304 -50.683 1.00 0.00 C ATOM 33526 O2 U B1559 51.828 -53.786 -50.349 1.00 0.00 O ATOM 33527 N3 U B1559 53.342 -55.457 -50.078 1.00 0.00 N ATOM 33528 C4 U B1559 54.516 -56.126 -50.376 1.00 0.00 C ATOM 33529 O4 U B1559 54.822 -57.149 -49.767 1.00 0.00 O ATOM 33530 C5 U B1559 55.292 -55.512 -51.426 1.00 0.00 C ATOM 33531 C6 U B1559 54.868 -54.391 -52.026 1.00 0.00 C ATOM 33532 P G B1560 57.006 -50.002 -51.204 1.00 0.00 P ATOM 33533 O1P G B1560 57.063 -51.421 -50.773 1.00 0.00 O ATOM 33534 O2P G B1560 56.856 -49.008 -50.121 1.00 0.00 O ATOM 33535 O5* G B1560 58.349 -49.590 -52.345 1.00 0.00 O ATOM 33536 C5* G B1560 59.270 -49.341 -53.402 1.00 0.00 C ATOM 33537 C4* G B1560 60.567 -48.541 -52.863 1.00 0.00 C ATOM 33538 O4* G B1560 61.568 -48.075 -53.817 1.00 0.00 O ATOM 33539 C3* G B1560 60.475 -47.411 -51.841 1.00 0.00 C ATOM 33540 O3* G B1560 59.539 -47.327 -50.645 1.00 0.00 O ATOM 33541 C2* G B1560 61.925 -46.937 -51.756 1.00 0.00 C ATOM 33542 O2* G B1560 62.708 -47.838 -50.995 1.00 0.00 O ATOM 33543 C1* G B1560 62.374 -47.079 -53.209 1.00 0.00 C ATOM 33544 N9 G B1560 62.251 -45.631 -54.146 1.00 0.00 N ATOM 33545 C8 G B1560 62.796 -44.390 -53.904 1.00 0.00 C ATOM 33546 N7 G B1560 62.500 -43.492 -54.817 1.00 0.00 N ATOM 33547 C5 G B1560 61.706 -44.189 -55.723 1.00 0.00 C ATOM 33548 C6 G B1560 61.088 -43.752 -56.921 1.00 0.00 C ATOM 33549 O6 G B1560 61.112 -42.637 -57.439 1.00 0.00 O ATOM 33550 N1 G B1560 60.369 -44.785 -57.536 1.00 0.00 N ATOM 33551 C2 G B1560 60.262 -46.076 -57.056 1.00 0.00 C ATOM 33552 N2 G B1560 59.529 -46.917 -57.788 1.00 0.00 N ATOM 33553 N3 G B1560 60.844 -46.487 -55.933 1.00 0.00 N ATOM 33554 C4 G B1560 61.548 -45.499 -55.322 1.00 0.00 C ATOM 33555 P C B1561 59.943 -45.798 -49.725 1.00 0.00 P ATOM 33556 O1P C B1561 61.412 -45.615 -49.781 1.00 0.00 O ATOM 33557 O2P C B1561 59.326 -45.654 -48.390 1.00 0.00 O ATOM 33558 O5* C B1561 59.236 -44.803 -50.760 1.00 0.00 O ATOM 33559 C5* C B1561 60.009 -43.744 -51.351 1.00 0.00 C ATOM 33560 C4* C B1561 59.180 -43.012 -52.387 1.00 0.00 C ATOM 33561 O4* C B1561 58.932 -43.904 -53.511 1.00 0.00 O ATOM 33562 C3* C B1561 57.779 -42.585 -51.938 1.00 0.00 C ATOM 33563 O3* C B1561 57.808 -41.373 -51.255 1.00 0.00 O ATOM 33564 C2* C B1561 57.032 -42.496 -53.268 1.00 0.00 C ATOM 33565 O2* C B1561 57.389 -41.312 -53.963 1.00 0.00 O ATOM 33566 C1* C B1561 57.639 -43.662 -54.043 1.00 0.00 C ATOM 33567 N1 C B1561 56.854 -44.923 -53.931 1.00 0.00 N ATOM 33568 C2 C B1561 55.661 -45.010 -54.641 1.00 0.00 C ATOM 33569 O2 C B1561 55.304 -44.045 -55.328 1.00 0.00 O ATOM 33570 N3 C B1561 54.934 -46.151 -54.554 1.00 0.00 N ATOM 33571 C4 C B1561 55.352 -47.175 -53.798 1.00 0.00 C ATOM 33572 N4 C B1561 54.603 -48.265 -53.749 1.00 0.00 N ATOM 33573 C5 C B1561 56.577 -47.107 -53.061 1.00 0.00 C ATOM 33574 C6 C B1561 57.293 -45.956 -53.162 1.00 0.00 C ATOM 33575 P U B1562 56.742 -41.130 -50.042 1.00 0.00 P ATOM 33576 O1P U B1562 57.161 -39.975 -49.216 1.00 0.00 O ATOM 33577 O2P U B1562 56.533 -42.402 -49.311 1.00 0.00 O ATOM 33578 O5* U B1562 55.424 -40.758 -50.870 1.00 0.00 O ATOM 33579 C5* U B1562 55.443 -39.601 -51.725 1.00 0.00 C ATOM 33580 C4* U B1562 54.143 -39.510 -52.500 1.00 0.00 C ATOM 33581 O4* U B1562 54.082 -40.617 -53.444 1.00 0.00 O ATOM 33582 C3* U B1562 52.864 -39.659 -51.679 1.00 0.00 C ATOM 33583 O3* U B1562 52.484 -38.447 -51.105 1.00 0.00 O ATOM 33584 C2* U B1562 51.867 -40.153 -52.721 1.00 0.00 C ATOM 33585 O2* U B1562 51.445 -39.087 -53.560 1.00 0.00 O ATOM 33586 C1* U B1562 52.743 -41.067 -53.575 1.00 0.00 C ATOM 33587 N1 U B1562 52.693 -42.497 -53.160 1.00 0.00 N ATOM 33588 C2 U B1562 51.558 -43.201 -53.476 1.00 0.00 C ATOM 33589 O2 U B1562 50.611 -42.705 -54.067 1.00 0.00 O ATOM 33590 N3 U B1562 51.549 -44.524 -53.079 1.00 0.00 N ATOM 33591 C4 U B1562 52.556 -45.184 -52.407 1.00 0.00 C ATOM 33592 O4 U B1562 52.436 -46.373 -52.102 1.00 0.00 O ATOM 33593 C5 U B1562 53.709 -44.360 -52.120 1.00 0.00 C ATOM 33594 C6 U B1562 53.744 -43.070 -52.497 1.00 0.00 C ATOM 33595 P U B1563 51.758 -38.466 -49.641 1.00 0.00 P ATOM 33596 O1P U B1563 51.768 -37.110 -49.047 1.00 0.00 O ATOM 33597 O2P U B1563 52.351 -39.537 -48.809 1.00 0.00 O ATOM 33598 O5* U B1563 50.264 -38.865 -50.051 1.00 0.00 O ATOM 33599 C5* U B1563 49.528 -37.999 -50.937 1.00 0.00 C ATOM 33600 C4* U B1563 48.196 -38.628 -51.291 1.00 0.00 C ATOM 33601 O4* U B1563 48.434 -39.810 -52.107 1.00 0.00 O ATOM 33602 C3* U B1563 47.375 -39.154 -50.111 1.00 0.00 C ATOM 33603 O3* U B1563 46.622 -38.143 -49.518 1.00 0.00 O ATOM 33604 C2* U B1563 46.508 -40.222 -50.776 1.00 0.00 C ATOM 33605 O2* U B1563 45.450 -39.624 -51.506 1.00 0.00 O ATOM 33606 C1* U B1563 47.475 -40.810 -51.801 1.00 0.00 C ATOM 33607 N1 U B1563 48.205 -42.012 -51.312 1.00 0.00 N ATOM 33608 C2 U B1563 47.680 -43.237 -51.640 1.00 0.00 C ATOM 33609 O2 U B1563 46.667 -43.368 -52.313 1.00 0.00 O ATOM 33610 N3 U B1563 48.387 -44.328 -51.168 1.00 0.00 N ATOM 33611 C4 U B1563 49.540 -44.295 -50.415 1.00 0.00 C ATOM 33612 O4 U B1563 50.085 -45.342 -50.053 1.00 0.00 O ATOM 33613 C5 U B1563 50.014 -42.966 -50.124 1.00 0.00 C ATOM 33614 C6 U B1563 49.345 -41.887 -50.568 1.00 0.00 C ATOM 33615 P C B1564 46.368 -38.197 -47.906 1.00 0.00 P ATOM 33616 O1P C B1564 45.885 -36.884 -47.421 1.00 0.00 O ATOM 33617 O2P C B1564 47.577 -38.727 -47.234 1.00 0.00 O ATOM 33618 O5* C B1564 45.187 -39.272 -47.824 1.00 0.00 O ATOM 33619 C5* C B1564 43.944 -38.996 -48.495 1.00 0.00 C ATOM 33620 C4* C B1564 43.022 -40.191 -48.392 1.00 0.00 C ATOM 33621 O4* C B1564 43.580 -41.288 -49.174 1.00 0.00 O ATOM 33622 C3* C B1564 42.857 -40.791 -46.992 1.00 0.00 C ATOM 33623 O3* C B1564 41.887 -40.111 -46.259 1.00 0.00 O ATOM 33624 C2* C B1564 42.462 -42.231 -47.305 1.00 0.00 C ATOM 33625 O2* C B1564 41.104 -42.301 -47.712 1.00 0.00 O ATOM 33626 C1* C B1564 43.310 -42.524 -48.536 1.00 0.00 C ATOM 33627 N1 C B1564 44.612 -43.177 -48.224 1.00 0.00 N ATOM 33628 C2 C B1564 44.595 -44.519 -47.854 1.00 0.00 C ATOM 33629 O2 C B1564 43.509 -45.108 -47.805 1.00 0.00 O ATOM 33630 N3 C B1564 45.770 -45.130 -47.567 1.00 0.00 N ATOM 33631 C4 C B1564 46.925 -44.457 -47.632 1.00 0.00 C ATOM 33632 N4 C B1564 48.048 -45.101 -47.341 1.00 0.00 N ATOM 33633 C5 C B1564 46.964 -43.076 -48.009 1.00 0.00 C ATOM 33634 C6 C B1564 45.779 -42.482 -48.293 1.00 0.00 C ATOM 33635 P C B1565 41.390 -38.499 -45.643 1.00 0.00 P ATOM 33636 O1P C B1565 42.414 -37.507 -45.245 1.00 0.00 O ATOM 33637 O2P C B1565 40.383 -38.829 -44.604 1.00 0.00 O ATOM 33638 O5* C B1565 40.666 -38.246 -47.281 1.00 0.00 O ATOM 33639 C5* C B1565 40.637 -39.435 -48.131 1.00 0.00 C ATOM 33640 C4* C B1565 39.181 -40.148 -48.383 1.00 0.00 C ATOM 33641 O4* C B1565 38.671 -41.149 -47.456 1.00 0.00 O ATOM 33642 C3* C B1565 38.123 -39.042 -48.346 1.00 0.00 C ATOM 33643 O3* C B1565 38.352 -38.468 -49.854 1.00 0.00 O ATOM 33644 C2* C B1565 36.830 -39.846 -48.201 1.00 0.00 C ATOM 33645 O2* C B1565 36.463 -40.438 -49.437 1.00 0.00 O ATOM 33646 C1* C B1565 37.275 -40.976 -47.281 1.00 0.00 C ATOM 33647 N1 C B1565 36.979 -40.715 -45.670 1.00 0.00 N ATOM 33648 C2 C B1565 36.902 -41.827 -44.836 1.00 0.00 C ATOM 33649 O2 C B1565 37.047 -42.954 -45.325 1.00 0.00 O ATOM 33650 N3 C B1565 36.665 -41.634 -43.511 1.00 0.00 N ATOM 33651 C4 C B1565 36.513 -40.398 -43.017 1.00 0.00 C ATOM 33652 N4 C B1565 36.278 -40.266 -41.723 1.00 0.00 N ATOM 33653 C5 C B1565 36.592 -39.242 -43.860 1.00 0.00 C ATOM 33654 C6 C B1565 36.826 -39.455 -45.179 1.00 0.00 C ATOM 33655 P A B1566 39.443 -39.429 -51.038 1.00 0.00 P ATOM 33656 O1P A B1566 40.819 -39.456 -50.495 1.00 0.00 O ATOM 33657 O2P A B1566 39.325 -39.103 -52.480 1.00 0.00 O ATOM 33658 O5* A B1566 38.509 -40.995 -51.037 1.00 0.00 O ATOM 33659 C5* A B1566 37.700 -41.798 -50.306 1.00 0.00 C ATOM 33660 C4* A B1566 36.408 -42.557 -51.066 1.00 0.00 C ATOM 33661 O4* A B1566 37.197 -43.216 -52.106 1.00 0.00 O ATOM 33662 C3* A B1566 35.979 -43.700 -50.145 1.00 0.00 C ATOM 33663 O3* A B1566 34.330 -43.270 -49.931 1.00 0.00 O ATOM 33664 C2* A B1566 35.754 -44.843 -51.136 1.00 0.00 C ATOM 33665 O2* A B1566 34.529 -44.674 -51.826 1.00 0.00 O ATOM 33666 C1* A B1566 36.869 -44.598 -52.147 1.00 0.00 C ATOM 33667 N9 A B1566 38.266 -45.478 -51.873 1.00 0.00 N ATOM 33668 C8 A B1566 39.389 -45.096 -51.181 1.00 0.00 C ATOM 33669 N7 A B1566 40.400 -45.894 -51.328 1.00 0.00 N ATOM 33670 C5 A B1566 39.919 -46.888 -52.172 1.00 0.00 C ATOM 33671 C6 A B1566 40.517 -48.042 -52.711 1.00 0.00 C ATOM 33672 N6 A B1566 41.780 -48.408 -52.461 1.00 0.00 N ATOM 33673 N1 A B1566 39.759 -48.806 -53.515 1.00 0.00 N ATOM 33674 C2 A B1566 38.499 -48.443 -53.756 1.00 0.00 C ATOM 33675 N3 A B1566 37.841 -47.392 -53.309 1.00 0.00 N ATOM 33676 C4 A B1566 38.621 -46.640 -52.508 1.00 0.00 C ATOM 33677 P G B1567 32.713 -42.944 -50.993 1.00 0.00 P ATOM 33678 O1P G B1567 32.648 -41.464 -51.058 1.00 0.00 O ATOM 33679 O2P G B1567 31.562 -43.612 -50.349 1.00 0.00 O ATOM 33680 O5* G B1567 32.447 -43.783 -52.696 1.00 0.00 O ATOM 33681 C5* G B1567 31.445 -44.043 -53.839 1.00 0.00 C ATOM 33682 C4* G B1567 31.888 -44.406 -55.467 1.00 0.00 C ATOM 33683 O4* G B1567 32.807 -43.534 -56.188 1.00 0.00 O ATOM 33684 C3* G B1567 32.659 -45.717 -55.329 1.00 0.00 C ATOM 33685 O3* G B1567 32.562 -46.434 -53.873 1.00 0.00 O ATOM 33686 C2* G B1567 33.419 -45.784 -56.651 1.00 0.00 C ATOM 33687 O2* G B1567 32.559 -46.165 -57.713 1.00 0.00 O ATOM 33688 C1* G B1567 33.770 -44.314 -56.875 1.00 0.00 C ATOM 33689 N9 G B1567 35.417 -43.832 -56.290 1.00 0.00 N ATOM 33690 C8 G B1567 35.877 -43.690 -54.999 1.00 0.00 C ATOM 33691 N7 G B1567 37.132 -43.334 -54.914 1.00 0.00 N ATOM 33692 C5 G B1567 37.542 -43.236 -56.246 1.00 0.00 C ATOM 33693 C6 G B1567 38.803 -42.886 -56.790 1.00 0.00 C ATOM 33694 O6 G B1567 39.838 -42.585 -56.205 1.00 0.00 O ATOM 33695 N1 G B1567 38.775 -42.912 -58.192 1.00 0.00 N ATOM 33696 C2 G B1567 37.676 -43.229 -58.963 1.00 0.00 C ATOM 33697 N2 G B1567 37.860 -43.199 -60.285 1.00 0.00 N ATOM 33698 N3 G B1567 36.493 -43.560 -58.449 1.00 0.00 N ATOM 33699 C4 G B1567 36.501 -43.539 -57.092 1.00 0.00 C ATOM 33700 P G B1568 31.392 -47.845 -53.407 1.00 0.00 P ATOM 33701 O1P G B1568 32.007 -49.026 -54.056 1.00 0.00 O ATOM 33702 O2P G B1568 30.026 -47.505 -53.862 1.00 0.00 O ATOM 33703 O5* G B1568 31.323 -48.291 -51.536 1.00 0.00 O ATOM 33704 C5* G B1568 30.722 -48.691 -50.131 1.00 0.00 C ATOM 33705 C4* G B1568 30.565 -50.145 -49.144 1.00 0.00 C ATOM 33706 O4* G B1568 30.661 -49.989 -47.702 1.00 0.00 O ATOM 33707 C3* G B1568 31.046 -51.574 -49.395 1.00 0.00 C ATOM 33708 O3* G B1568 30.133 -52.670 -49.969 1.00 0.00 O ATOM 33709 C2* G B1568 32.145 -51.728 -48.346 1.00 0.00 C ATOM 33710 O2* G B1568 33.322 -51.051 -48.746 1.00 0.00 O ATOM 33711 C1* G B1568 31.565 -50.953 -47.171 1.00 0.00 C ATOM 33712 N9 G B1568 30.720 -51.916 -46.024 1.00 0.00 N ATOM 33713 C8 G B1568 29.399 -52.307 -46.019 1.00 0.00 C ATOM 33714 N7 G B1568 29.073 -53.078 -45.012 1.00 0.00 N ATOM 33715 C5 G B1568 30.266 -53.205 -44.294 1.00 0.00 C ATOM 33716 C6 G B1568 30.549 -53.924 -43.106 1.00 0.00 C ATOM 33717 O6 G B1568 29.786 -54.603 -42.418 1.00 0.00 O ATOM 33718 N1 G B1568 31.887 -53.779 -42.723 1.00 0.00 N ATOM 33719 C2 G B1568 32.831 -53.039 -43.406 1.00 0.00 C ATOM 33720 N2 G B1568 34.063 -53.031 -42.880 1.00 0.00 N ATOM 33721 N3 G B1568 32.575 -52.373 -44.526 1.00 0.00 N ATOM 33722 C4 G B1568 31.275 -52.498 -44.907 1.00 0.00 C ATOM 33723 P A B1569 30.341 -54.448 -49.682 1.00 0.00 P ATOM 33724 O1P A B1569 31.788 -54.717 -49.509 1.00 0.00 O ATOM 33725 O2P A B1569 29.633 -55.328 -50.639 1.00 0.00 O ATOM 33726 O5* A B1569 29.302 -54.254 -48.189 1.00 0.00 O ATOM 33727 C5* A B1569 27.981 -53.633 -47.880 1.00 0.00 C ATOM 33728 C4* A B1569 27.003 -53.533 -49.249 1.00 0.00 C ATOM 33729 O4* A B1569 27.606 -54.380 -50.272 1.00 0.00 O ATOM 33730 C3* A B1569 26.364 -52.395 -50.049 1.00 0.00 C ATOM 33731 O3* A B1569 26.023 -51.008 -49.472 1.00 0.00 O ATOM 33732 C2* A B1569 27.363 -52.199 -51.182 1.00 0.00 C ATOM 33733 O2* A B1569 28.515 -51.502 -50.729 1.00 0.00 O ATOM 33734 C1* A B1569 27.801 -53.632 -51.462 1.00 0.00 C ATOM 33735 N9 A B1569 26.973 -54.382 -52.693 1.00 0.00 N ATOM 33736 C8 A B1569 26.507 -53.834 -53.869 1.00 0.00 C ATOM 33737 N7 A B1569 25.752 -54.634 -54.556 1.00 0.00 N ATOM 33738 C5 A B1569 25.706 -55.789 -53.793 1.00 0.00 C ATOM 33739 C6 A B1569 25.060 -57.021 -53.978 1.00 0.00 C ATOM 33740 N6 A B1569 24.296 -57.302 -55.052 1.00 0.00 N ATOM 33741 N1 A B1569 25.217 -57.958 -53.028 1.00 0.00 N ATOM 33742 C2 A B1569 25.973 -57.673 -51.969 1.00 0.00 C ATOM 33743 N3 A B1569 26.623 -56.562 -51.687 1.00 0.00 N ATOM 33744 C4 A B1569 26.443 -55.647 -52.659 1.00 0.00 C ATOM 33745 P A B1570 26.487 -49.487 -50.460 1.00 0.00 P ATOM 33746 O1P A B1570 27.944 -49.232 -50.401 1.00 0.00 O ATOM 33747 O2P A B1570 25.620 -48.376 -50.001 1.00 0.00 O ATOM 33748 O5* A B1570 26.006 -49.997 -52.185 1.00 0.00 O ATOM 33749 C5* A B1570 25.539 -49.803 -53.600 1.00 0.00 C ATOM 33750 C4* A B1570 26.570 -50.324 -54.846 1.00 0.00 C ATOM 33751 O4* A B1570 27.877 -49.780 -54.515 1.00 0.00 O ATOM 33752 C3* A B1570 26.794 -51.842 -54.857 1.00 0.00 C ATOM 33753 O3* A B1570 25.621 -52.597 -55.632 1.00 0.00 O ATOM 33754 C2* A B1570 28.207 -51.950 -55.424 1.00 0.00 C ATOM 33755 O2* A B1570 28.201 -51.740 -56.829 1.00 0.00 O ATOM 33756 C1* A B1570 28.891 -50.738 -54.800 1.00 0.00 C ATOM 33757 N9 A B1570 29.726 -51.058 -53.385 1.00 0.00 N ATOM 33758 C8 A B1570 29.837 -50.267 -52.262 1.00 0.00 C ATOM 33759 N7 A B1570 30.707 -50.696 -51.399 1.00 0.00 N ATOM 33760 C5 A B1570 31.212 -51.850 -51.978 1.00 0.00 C ATOM 33761 C6 A B1570 32.178 -52.781 -51.561 1.00 0.00 C ATOM 33762 N6 A B1570 32.834 -52.682 -50.394 1.00 0.00 N ATOM 33763 N1 A B1570 32.444 -53.811 -52.378 1.00 0.00 N ATOM 33764 C2 A B1570 31.784 -53.901 -53.530 1.00 0.00 C ATOM 33765 N3 A B1570 30.863 -53.100 -54.030 1.00 0.00 N ATOM 33766 C4 A B1570 30.620 -52.076 -53.189 1.00 0.00 C ATOM 33767 P A B1571 25.859 -53.784 -57.053 1.00 0.00 P ATOM 33768 O1P A B1571 27.300 -54.070 -57.223 1.00 0.00 O ATOM 33769 O2P A B1571 25.153 -53.299 -58.258 1.00 0.00 O ATOM 33770 O5* A B1571 24.991 -55.305 -56.478 1.00 0.00 O ATOM 33771 C5* A B1571 25.086 -56.605 -57.107 1.00 0.00 C ATOM 33772 C4* A B1571 26.420 -57.494 -56.807 1.00 0.00 C ATOM 33773 O4* A B1571 27.070 -58.058 -57.980 1.00 0.00 O ATOM 33774 C3* A B1571 27.582 -57.131 -55.879 1.00 0.00 C ATOM 33775 O3* A B1571 27.989 -55.731 -55.408 1.00 0.00 O ATOM 33776 C2* A B1571 28.569 -58.264 -56.151 1.00 0.00 C ATOM 33777 O2* A B1571 28.166 -59.451 -55.498 1.00 0.00 O ATOM 33778 C1* A B1571 28.383 -58.487 -57.647 1.00 0.00 C ATOM 33779 N9 A B1571 29.486 -57.648 -58.632 1.00 0.00 N ATOM 33780 C8 A B1571 29.712 -57.796 -59.984 1.00 0.00 C ATOM 33781 N7 A B1571 30.740 -57.143 -60.425 1.00 0.00 N ATOM 33782 C5 A B1571 31.242 -56.508 -59.293 1.00 0.00 C ATOM 33783 C6 A B1571 32.336 -55.648 -59.096 1.00 0.00 C ATOM 33784 N6 A B1571 33.160 -55.266 -60.075 1.00 0.00 N ATOM 33785 N1 A B1571 32.545 -55.194 -57.842 1.00 0.00 N ATOM 33786 C2 A B1571 31.720 -55.586 -56.870 1.00 0.00 C ATOM 33787 N3 A B1571 30.673 -56.378 -56.937 1.00 0.00 N ATOM 33788 C4 A B1571 30.483 -56.812 -58.198 1.00 0.00 C ATOM 33789 P A B1572 29.544 -55.648 -54.463 1.00 0.00 P ATOM 33790 O1P A B1572 30.363 -56.874 -54.564 1.00 0.00 O ATOM 33791 O2P A B1572 29.303 -55.144 -53.087 1.00 0.00 O ATOM 33792 O5* A B1572 30.119 -54.318 -55.598 1.00 0.00 O ATOM 33793 C5* A B1572 30.512 -53.085 -56.329 1.00 0.00 C ATOM 33794 C4* A B1572 31.966 -52.329 -56.109 1.00 0.00 C ATOM 33795 O4* A B1572 32.206 -51.193 -55.230 1.00 0.00 O ATOM 33796 C3* A B1572 33.334 -53.017 -56.202 1.00 0.00 C ATOM 33797 O3* A B1572 33.301 -54.316 -55.170 1.00 0.00 O ATOM 33798 C2* A B1572 34.290 -51.826 -56.184 1.00 0.00 C ATOM 33799 O2* A B1572 34.307 -51.175 -57.448 1.00 0.00 O ATOM 33800 C1* A B1572 33.590 -50.883 -55.209 1.00 0.00 C ATOM 33801 N9 A B1572 34.127 -50.990 -53.634 1.00 0.00 N ATOM 33802 C8 A B1572 33.556 -50.458 -52.500 1.00 0.00 C ATOM 33803 N7 A B1572 34.093 -50.872 -51.393 1.00 0.00 N ATOM 33804 C5 A B1572 35.091 -51.743 -51.817 1.00 0.00 C ATOM 33805 C6 A B1572 36.026 -52.514 -51.113 1.00 0.00 C ATOM 33806 N6 A B1572 36.112 -52.536 -49.773 1.00 0.00 N ATOM 33807 N1 A B1572 36.873 -53.267 -51.836 1.00 0.00 N ATOM 33808 C2 A B1572 36.784 -53.245 -53.166 1.00 0.00 C ATOM 33809 N3 A B1572 35.955 -52.562 -53.925 1.00 0.00 N ATOM 33810 C4 A B1572 35.115 -51.818 -53.178 1.00 0.00 C ATOM 33811 P G B1573 34.336 -55.339 -53.928 1.00 0.00 P ATOM 33812 O1P G B1573 35.699 -55.495 -54.476 1.00 0.00 O ATOM 33813 O2P G B1573 33.542 -56.584 -53.791 1.00 0.00 O ATOM 33814 O5* G B1573 34.424 -54.696 -52.121 1.00 0.00 O ATOM 33815 C5* G B1573 35.156 -54.923 -50.779 1.00 0.00 C ATOM 33816 C4* G B1573 34.995 -54.525 -49.108 1.00 0.00 C ATOM 33817 O4* G B1573 33.672 -54.304 -48.532 1.00 0.00 O ATOM 33818 C3* G B1573 35.624 -55.578 -48.190 1.00 0.00 C ATOM 33819 O3* G B1573 37.016 -55.972 -48.094 1.00 0.00 O ATOM 33820 C2* G B1573 35.073 -55.180 -46.822 1.00 0.00 C ATOM 33821 O2* G B1573 35.759 -54.039 -46.319 1.00 0.00 O ATOM 33822 C1* G B1573 33.664 -54.723 -47.181 1.00 0.00 C ATOM 33823 N9 G B1573 32.449 -55.931 -46.997 1.00 0.00 N ATOM 33824 C8 G B1573 31.660 -56.522 -47.959 1.00 0.00 C ATOM 33825 N7 G B1573 30.719 -57.295 -47.475 1.00 0.00 N ATOM 33826 C5 G B1573 30.894 -57.210 -46.096 1.00 0.00 C ATOM 33827 C6 G B1573 30.171 -57.832 -45.045 1.00 0.00 C ATOM 33828 O6 G B1573 29.211 -58.593 -45.111 1.00 0.00 O ATOM 33829 N1 G B1573 30.685 -57.470 -43.789 1.00 0.00 N ATOM 33830 C2 G B1573 31.760 -56.624 -43.582 1.00 0.00 C ATOM 33831 N2 G B1573 32.092 -56.405 -42.308 1.00 0.00 N ATOM 33832 N3 G B1573 32.436 -56.045 -44.570 1.00 0.00 N ATOM 33833 C4 G B1573 31.946 -56.381 -45.793 1.00 0.00 C ATOM 33834 P C B1574 38.670 -55.037 -48.297 1.00 0.00 P ATOM 33835 O1P C B1574 39.041 -54.832 -49.715 1.00 0.00 O ATOM 33836 O2P C B1574 39.297 -56.201 -47.629 1.00 0.00 O ATOM 33837 O5* C B1574 38.975 -53.707 -47.461 1.00 0.00 O ATOM 33838 C5* C B1574 40.332 -53.421 -47.075 1.00 0.00 C ATOM 33839 C4* C B1574 40.408 -52.061 -46.410 1.00 0.00 C ATOM 33840 O4* C B1574 40.132 -51.035 -47.406 1.00 0.00 O ATOM 33841 C3* C B1574 39.377 -51.797 -45.311 1.00 0.00 C ATOM 33842 O3* C B1574 39.798 -52.302 -44.084 1.00 0.00 O ATOM 33843 C2* C B1574 39.284 -50.272 -45.321 1.00 0.00 C ATOM 33844 O2* C B1574 40.411 -49.699 -44.680 1.00 0.00 O ATOM 33845 C1* C B1574 39.415 -49.966 -46.809 1.00 0.00 C ATOM 33846 N1 C B1574 38.107 -49.837 -47.511 1.00 0.00 N ATOM 33847 C2 C B1574 37.363 -48.681 -47.288 1.00 0.00 C ATOM 33848 O2 C B1574 37.814 -47.818 -46.526 1.00 0.00 O ATOM 33849 N3 C B1574 36.168 -48.544 -47.918 1.00 0.00 N ATOM 33850 C4 C B1574 35.716 -49.503 -48.739 1.00 0.00 C ATOM 33851 N4 C B1574 34.544 -49.321 -49.329 1.00 0.00 N ATOM 33852 C5 C B1574 36.466 -50.697 -48.978 1.00 0.00 C ATOM 33853 C6 C B1574 37.657 -50.813 -48.340 1.00 0.00 C ATOM 33854 P C B1575 38.677 -52.889 -43.051 1.00 0.00 P ATOM 33855 O1P C B1575 39.325 -53.695 -41.995 1.00 0.00 O ATOM 33856 O2P C B1575 37.608 -53.565 -43.816 1.00 0.00 O ATOM 33857 O5* C B1575 38.112 -51.529 -42.423 1.00 0.00 O ATOM 33858 C5* C B1575 39.012 -50.663 -41.707 1.00 0.00 C ATOM 33859 C4* C B1575 38.300 -49.386 -41.311 1.00 0.00 C ATOM 33860 O4* C B1575 37.994 -48.623 -42.512 1.00 0.00 O ATOM 33861 C3* C B1575 36.940 -49.565 -40.634 1.00 0.00 C ATOM 33862 O3* C B1575 37.075 -49.792 -39.265 1.00 0.00 O ATOM 33863 C2* C B1575 36.251 -48.239 -40.942 1.00 0.00 C ATOM 33864 O2* C B1575 36.752 -47.204 -40.116 1.00 0.00 O ATOM 33865 C1* C B1575 36.753 -47.957 -42.357 1.00 0.00 C ATOM 33866 N1 C B1575 35.833 -48.440 -43.427 1.00 0.00 N ATOM 33867 C2 C B1575 34.662 -47.725 -43.648 1.00 0.00 C ATOM 33868 O2 C B1575 34.434 -46.724 -42.955 1.00 0.00 O ATOM 33869 N3 C B1575 33.811 -48.149 -44.616 1.00 0.00 N ATOM 33870 C4 C B1575 34.096 -49.236 -45.346 1.00 0.00 C ATOM 33871 N4 C B1575 33.235 -49.607 -46.279 1.00 0.00 N ATOM 33872 C5 C B1575 35.298 -49.988 -45.133 1.00 0.00 C ATOM 33873 C6 C B1575 36.133 -49.545 -44.160 1.00 0.00 C ATOM 33874 P U B1576 36.005 -50.774 -38.523 1.00 0.00 P ATOM 33875 O1P U B1576 36.516 -51.176 -37.193 1.00 0.00 O ATOM 33876 O2P U B1576 35.637 -51.880 -39.434 1.00 0.00 O ATOM 33877 O5* U B1576 34.762 -49.782 -38.345 1.00 0.00 O ATOM 33878 C5* U B1576 34.928 -48.584 -37.565 1.00 0.00 C ATOM 33879 C4* U B1576 33.673 -47.739 -37.634 1.00 0.00 C ATOM 33880 O4* U B1576 33.525 -47.230 -38.991 1.00 0.00 O ATOM 33881 C3* U B1576 32.358 -48.476 -37.371 1.00 0.00 C ATOM 33882 O3* U B1576 32.094 -48.571 -36.006 1.00 0.00 O ATOM 33883 C2* U B1576 31.349 -47.598 -38.107 1.00 0.00 C ATOM 33884 O2* U B1576 31.070 -46.422 -37.369 1.00 0.00 O ATOM 33885 C1* U B1576 32.149 -47.174 -39.335 1.00 0.00 C ATOM 33886 N1 U B1576 31.934 -48.047 -40.521 1.00 0.00 N ATOM 33887 C2 U B1576 30.821 -47.800 -41.288 1.00 0.00 C ATOM 33888 O2 U B1576 30.023 -46.914 -41.036 1.00 0.00 O ATOM 33889 N3 U B1576 30.656 -48.631 -42.379 1.00 0.00 N ATOM 33890 C4 U B1576 31.493 -49.663 -42.757 1.00 0.00 C ATOM 33891 O4 U B1576 31.240 -50.341 -43.757 1.00 0.00 O ATOM 33892 C5 U B1576 32.629 -49.847 -41.891 1.00 0.00 C ATOM 33893 C6 U B1576 32.815 -49.053 -40.823 1.00 0.00 C ATOM 33894 P C B1577 31.322 -49.900 -35.450 1.00 0.00 P ATOM 33895 O1P C B1577 31.460 -49.990 -33.979 1.00 0.00 O ATOM 33896 O2P C B1577 31.771 -51.086 -36.212 1.00 0.00 O ATOM 33897 O5* C B1577 29.810 -49.550 -35.831 1.00 0.00 O ATOM 33898 C5* C B1577 29.200 -48.375 -35.265 1.00 0.00 C ATOM 33899 C4* C B1577 27.818 -48.172 -35.858 1.00 0.00 C ATOM 33900 O4* C B1577 27.956 -47.826 -37.268 1.00 0.00 O ATOM 33901 C3* C B1577 26.909 -49.400 -35.867 1.00 0.00 C ATOM 33902 O3* C B1577 26.251 -49.560 -34.649 1.00 0.00 O ATOM 33903 C2* C B1577 25.954 -49.086 -37.017 1.00 0.00 C ATOM 33904 O2* C B1577 24.991 -48.127 -36.618 1.00 0.00 O ATOM 33905 C1* C B1577 26.886 -48.395 -38.007 1.00 0.00 C ATOM 33906 N1 C B1577 27.466 -49.315 -39.025 1.00 0.00 N ATOM 33907 C2 C B1577 26.634 -49.762 -40.046 1.00 0.00 C ATOM 33908 O2 C B1577 25.458 -49.382 -40.066 1.00 0.00 O ATOM 33909 N3 C B1577 27.146 -50.603 -40.984 1.00 0.00 N ATOM 33910 C4 C B1577 28.424 -50.991 -40.925 1.00 0.00 C ATOM 33911 N4 C B1577 28.873 -51.809 -41.864 1.00 0.00 N ATOM 33912 C5 C B1577 29.297 -50.541 -39.883 1.00 0.00 C ATOM 33913 C6 C B1577 28.768 -49.703 -38.955 1.00 0.00 C ATOM 33914 P U B1578 25.941 -51.069 -34.115 1.00 0.00 P ATOM 33915 O1P U B1578 25.585 -51.041 -32.677 1.00 0.00 O ATOM 33916 O2P U B1578 27.061 -51.963 -34.480 1.00 0.00 O ATOM 33917 O5* U B1578 24.649 -51.436 -34.986 1.00 0.00 O ATOM 33918 C5* U B1578 23.464 -50.632 -34.848 1.00 0.00 C ATOM 33919 C4* U B1578 22.415 -51.076 -35.849 1.00 0.00 C ATOM 33920 O4* U B1578 22.880 -50.756 -37.193 1.00 0.00 O ATOM 33921 C3* U B1578 22.146 -52.579 -35.901 1.00 0.00 C ATOM 33922 O3* U B1578 21.229 -52.970 -34.927 1.00 0.00 O ATOM 33923 C2* U B1578 21.604 -52.757 -37.319 1.00 0.00 C ATOM 33924 O2* U B1578 20.265 -52.309 -37.408 1.00 0.00 O ATOM 33925 C1* U B1578 22.459 -51.761 -38.098 1.00 0.00 C ATOM 33926 N1 U B1578 23.672 -52.365 -38.715 1.00 0.00 N ATOM 33927 C2 U B1578 23.486 -53.157 -39.823 1.00 0.00 C ATOM 33928 O2 U B1578 22.387 -53.375 -40.304 1.00 0.00 O ATOM 33929 N3 U B1578 24.633 -53.700 -40.364 1.00 0.00 N ATOM 33930 C4 U B1578 25.921 -53.522 -39.903 1.00 0.00 C ATOM 33931 O4 U B1578 26.872 -54.060 -40.472 1.00 0.00 O ATOM 33932 C5 U B1578 26.018 -52.676 -38.735 1.00 0.00 C ATOM 33933 C6 U B1578 24.916 -52.136 -38.188 1.00 0.00 C ATOM 33934 P A B1579 22.339 -54.010 -33.806 1.00 0.00 P ATOM 33935 O1P A B1579 21.543 -55.013 -33.072 1.00 0.00 O ATOM 33936 O2P A B1579 23.126 -53.073 -32.969 1.00 0.00 O ATOM 33937 O5* A B1579 23.543 -54.854 -34.978 1.00 0.00 O ATOM 33938 C5* A B1579 24.526 -56.000 -34.989 1.00 0.00 C ATOM 33939 C4* A B1579 25.893 -56.148 -35.952 1.00 0.00 C ATOM 33940 O4* A B1579 26.398 -54.894 -36.501 1.00 0.00 O ATOM 33941 C3* A B1579 27.158 -56.908 -35.550 1.00 0.00 C ATOM 33942 O3* A B1579 27.441 -58.204 -34.813 1.00 0.00 O ATOM 33943 C2* A B1579 28.138 -56.506 -36.649 1.00 0.00 C ATOM 33944 O2* A B1579 27.858 -57.210 -37.848 1.00 0.00 O ATOM 33945 C1* A B1579 27.753 -55.049 -36.887 1.00 0.00 C ATOM 33946 N9 A B1579 28.672 -53.938 -36.039 1.00 0.00 N ATOM 33947 C8 A B1579 28.612 -52.560 -36.094 1.00 0.00 C ATOM 33948 N7 A B1579 29.331 -51.971 -35.188 1.00 0.00 N ATOM 33949 C5 A B1579 29.906 -53.015 -34.479 1.00 0.00 C ATOM 33950 C6 A B1579 30.780 -53.045 -33.383 1.00 0.00 C ATOM 33951 N6 A B1579 31.252 -51.945 -32.776 1.00 0.00 N ATOM 33952 N1 A B1579 31.161 -54.252 -32.928 1.00 0.00 N ATOM 33953 C2 A B1579 30.694 -55.341 -33.527 1.00 0.00 C ATOM 33954 N3 A B1579 29.872 -55.437 -34.553 1.00 0.00 N ATOM 33955 C4 A B1579 29.508 -54.218 -34.993 1.00 0.00 C ATOM 33956 P A B1580 28.688 -57.962 -33.460 1.00 0.00 P ATOM 33957 O1P A B1580 28.738 -59.135 -32.567 1.00 0.00 O ATOM 33958 O2P A B1580 28.410 -56.662 -32.807 1.00 0.00 O ATOM 33959 O5* A B1580 30.300 -57.902 -34.374 1.00 0.00 O ATOM 33960 C5* A B1580 31.530 -57.785 -33.556 1.00 0.00 C ATOM 33961 C4* A B1580 32.897 -57.420 -34.344 1.00 0.00 C ATOM 33962 O4* A B1580 32.747 -57.201 -35.775 1.00 0.00 O ATOM 33963 C3* A B1580 33.986 -56.431 -33.925 1.00 0.00 C ATOM 33964 O3* A B1580 34.620 -56.773 -32.558 1.00 0.00 O ATOM 33965 C2* A B1580 34.916 -56.449 -35.139 1.00 0.00 C ATOM 33966 O2* A B1580 35.704 -57.624 -35.149 1.00 0.00 O ATOM 33967 C1* A B1580 33.917 -56.574 -36.287 1.00 0.00 C ATOM 33968 N9 A B1580 33.469 -55.110 -36.992 1.00 0.00 N ATOM 33969 C8 A B1580 32.568 -54.174 -36.526 1.00 0.00 C ATOM 33970 N7 A B1580 32.281 -53.246 -37.383 1.00 0.00 N ATOM 33971 C5 A B1580 33.038 -53.577 -38.498 1.00 0.00 C ATOM 33972 C6 A B1580 33.176 -52.974 -39.760 1.00 0.00 C ATOM 33973 N6 A B1580 32.522 -51.859 -40.122 1.00 0.00 N ATOM 33974 N1 A B1580 34.010 -53.559 -40.637 1.00 0.00 N ATOM 33975 C2 A B1580 34.654 -54.666 -40.269 1.00 0.00 C ATOM 33976 N3 A B1580 34.607 -55.313 -39.130 1.00 0.00 N ATOM 33977 C4 A B1580 33.763 -54.707 -38.265 1.00 0.00 C ATOM 33978 P G B1581 36.440 -56.579 -32.438 1.00 0.00 P ATOM 33979 O1P G B1581 36.917 -56.414 -31.045 1.00 0.00 O ATOM 33980 O2P G B1581 36.870 -55.537 -33.394 1.00 0.00 O ATOM 33981 O5* G B1581 36.799 -58.287 -32.996 1.00 0.00 O ATOM 33982 C5* G B1581 37.523 -59.523 -33.285 1.00 0.00 C ATOM 33983 C4* G B1581 36.566 -60.782 -33.680 1.00 0.00 C ATOM 33984 O4* G B1581 35.919 -60.448 -34.943 1.00 0.00 O ATOM 33985 C3* G B1581 36.863 -62.276 -33.807 1.00 0.00 C ATOM 33986 O3* G B1581 37.298 -63.275 -32.736 1.00 0.00 O ATOM 33987 C2* G B1581 35.650 -62.777 -34.583 1.00 0.00 C ATOM 33988 O2* G B1581 34.514 -62.874 -33.736 1.00 0.00 O ATOM 33989 C1* G B1581 35.394 -61.622 -35.542 1.00 0.00 C ATOM 33990 N9 G B1581 36.098 -61.802 -37.061 1.00 0.00 N ATOM 33991 C8 G B1581 35.925 -62.810 -37.988 1.00 0.00 C ATOM 33992 N7 G B1581 36.537 -62.601 -39.124 1.00 0.00 N ATOM 33993 C5 G B1581 37.171 -61.371 -38.938 1.00 0.00 C ATOM 33994 C6 G B1581 37.993 -60.623 -39.820 1.00 0.00 C ATOM 33995 O6 G B1581 38.337 -60.901 -40.969 1.00 0.00 O ATOM 33996 N1 G B1581 38.423 -59.429 -39.232 1.00 0.00 N ATOM 33997 C2 G B1581 38.106 -59.010 -37.953 1.00 0.00 C ATOM 33998 N2 G B1581 38.619 -57.840 -37.576 1.00 0.00 N ATOM 33999 N3 G B1581 37.335 -59.712 -37.130 1.00 0.00 N ATOM 34000 C4 G B1581 36.909 -60.874 -37.681 1.00 0.00 C ATOM 34001 P C B1582 37.714 -64.975 -33.287 1.00 0.00 P ATOM 34002 O1P C B1582 37.609 -65.954 -32.179 1.00 0.00 O ATOM 34003 O2P C B1582 38.995 -64.976 -34.028 1.00 0.00 O ATOM 34004 O5* C B1582 36.255 -65.139 -34.367 1.00 0.00 O ATOM 34005 C5* C B1582 34.839 -65.277 -34.154 1.00 0.00 C ATOM 34006 C4* C B1582 34.010 -65.694 -35.468 1.00 0.00 C ATOM 34007 O4* C B1582 32.864 -64.953 -35.976 1.00 0.00 O ATOM 34008 C3* C B1582 34.616 -66.339 -36.714 1.00 0.00 C ATOM 34009 O3* C B1582 35.797 -67.252 -36.649 1.00 0.00 O ATOM 34010 C2* C B1582 33.374 -66.664 -37.544 1.00 0.00 C ATOM 34011 O2* C B1582 32.710 -67.811 -37.028 1.00 0.00 O ATOM 34012 C1* C B1582 32.475 -65.467 -37.240 1.00 0.00 C ATOM 34013 N1 C B1582 32.562 -64.216 -38.374 1.00 0.00 N ATOM 34014 C2 C B1582 32.163 -64.494 -39.681 1.00 0.00 C ATOM 34015 O2 C B1582 31.757 -65.633 -39.952 1.00 0.00 O ATOM 34016 N3 C B1582 32.237 -63.506 -40.609 1.00 0.00 N ATOM 34017 C4 C B1582 32.682 -62.288 -40.271 1.00 0.00 C ATOM 34018 N4 C B1582 32.734 -61.356 -41.214 1.00 0.00 N ATOM 34019 C5 C B1582 33.100 -61.980 -38.937 1.00 0.00 C ATOM 34020 C6 C B1582 33.017 -62.987 -38.026 1.00 0.00 C ATOM 34021 P A B1583 36.884 -67.032 -38.091 1.00 0.00 P ATOM 34022 O1P A B1583 37.518 -65.696 -38.111 1.00 0.00 O ATOM 34023 O2P A B1583 36.219 -67.450 -39.349 1.00 0.00 O ATOM 34024 O5* A B1583 37.967 -68.367 -37.489 1.00 0.00 O ATOM 34025 C5* A B1583 38.067 -69.470 -38.406 1.00 0.00 C ATOM 34026 C4* A B1583 37.964 -70.998 -37.834 1.00 0.00 C ATOM 34027 O4* A B1583 38.813 -71.840 -38.668 1.00 0.00 O ATOM 34028 C3* A B1583 38.316 -71.412 -36.405 1.00 0.00 C ATOM 34029 O3* A B1583 37.784 -70.912 -35.061 1.00 0.00 O ATOM 34030 C2* A B1583 38.557 -72.913 -36.557 1.00 0.00 C ATOM 34031 O2* A B1583 37.333 -73.610 -36.668 1.00 0.00 O ATOM 34032 C1* A B1583 39.230 -72.977 -37.923 1.00 0.00 C ATOM 34033 N9 A B1583 40.904 -72.991 -37.876 1.00 0.00 N ATOM 34034 C8 A B1583 41.743 -72.249 -37.074 1.00 0.00 C ATOM 34035 N7 A B1583 42.995 -72.345 -37.391 1.00 0.00 N ATOM 34036 C5 A B1583 43.003 -73.206 -38.478 1.00 0.00 C ATOM 34037 C6 A B1583 44.039 -73.708 -39.276 1.00 0.00 C ATOM 34038 N6 A B1583 45.332 -73.404 -39.095 1.00 0.00 N ATOM 34039 N1 A B1583 43.696 -74.545 -40.278 1.00 0.00 N ATOM 34040 C2 A B1583 42.415 -74.846 -40.451 1.00 0.00 C ATOM 34041 N3 A B1583 41.365 -74.441 -39.776 1.00 0.00 N ATOM 34042 C4 A B1583 41.731 -73.604 -38.778 1.00 0.00 C ATOM 34043 P U B1584 36.335 -69.815 -34.966 1.00 0.00 P ATOM 34044 O1P U B1584 36.773 -68.418 -34.761 1.00 0.00 O ATOM 34045 O2P U B1584 35.263 -70.289 -34.067 1.00 0.00 O ATOM 34046 O5* U B1584 35.885 -70.267 -36.653 1.00 0.00 O ATOM 34047 C5* U B1584 35.162 -69.512 -37.586 1.00 0.00 C ATOM 34048 C4* U B1584 33.974 -70.317 -38.255 1.00 0.00 C ATOM 34049 O4* U B1584 34.175 -70.807 -39.612 1.00 0.00 O ATOM 34050 C3* U B1584 32.896 -71.251 -37.682 1.00 0.00 C ATOM 34051 O3* U B1584 32.163 -71.025 -36.366 1.00 0.00 O ATOM 34052 C2* U B1584 32.017 -71.502 -38.900 1.00 0.00 C ATOM 34053 O2* U B1584 31.187 -70.380 -39.162 1.00 0.00 O ATOM 34054 C1* U B1584 33.044 -71.563 -40.026 1.00 0.00 C ATOM 34055 N1 U B1584 33.559 -73.108 -40.419 1.00 0.00 N ATOM 34056 C2 U B1584 32.759 -73.832 -41.268 1.00 0.00 C ATOM 34057 O2 U B1584 31.793 -73.353 -41.840 1.00 0.00 O ATOM 34058 N3 U B1584 33.117 -75.158 -41.438 1.00 0.00 N ATOM 34059 C4 U B1584 34.180 -75.799 -40.845 1.00 0.00 C ATOM 34060 O4 U B1584 34.407 -76.990 -41.076 1.00 0.00 O ATOM 34061 C5 U B1584 34.966 -74.958 -39.968 1.00 0.00 C ATOM 34062 C6 U B1584 34.640 -73.671 -39.786 1.00 0.00 C ATOM 34063 P C B1585 30.339 -71.346 -36.394 1.00 0.00 P ATOM 34064 O1P C B1585 29.672 -70.255 -37.137 1.00 0.00 O ATOM 34065 O2P C B1585 29.809 -71.622 -35.039 1.00 0.00 O ATOM 34066 O5* C B1585 30.313 -72.901 -37.374 1.00 0.00 O ATOM 34067 C5* C B1585 29.480 -73.834 -38.118 1.00 0.00 C ATOM 34068 C4* C B1585 29.294 -75.365 -37.541 1.00 0.00 C ATOM 34069 O4* C B1585 28.123 -75.793 -36.793 1.00 0.00 O ATOM 34070 C3* C B1585 30.335 -76.454 -37.254 1.00 0.00 C ATOM 34071 O3* C B1585 31.749 -76.640 -37.701 1.00 0.00 O ATOM 34072 C2* C B1585 30.034 -76.802 -35.800 1.00 0.00 C ATOM 34073 O2* C B1585 30.540 -75.804 -34.930 1.00 0.00 O ATOM 34074 C1* C B1585 28.512 -76.688 -35.764 1.00 0.00 C ATOM 34075 N1 C B1585 27.685 -78.159 -35.993 1.00 0.00 N ATOM 34076 C2 C B1585 28.418 -79.339 -35.899 1.00 0.00 C ATOM 34077 O2 C B1585 29.631 -79.269 -35.642 1.00 0.00 O ATOM 34078 N3 C B1585 27.783 -80.523 -36.096 1.00 0.00 N ATOM 34079 C4 C B1585 26.469 -80.554 -36.371 1.00 0.00 C ATOM 34080 N4 C B1585 25.899 -81.731 -36.550 1.00 0.00 N ATOM 34081 C5 C B1585 25.698 -79.354 -36.467 1.00 0.00 C ATOM 34082 C6 C B1585 26.351 -78.181 -36.275 1.00 0.00 C ATOM 34083 P A B1586 32.571 -75.043 -37.672 1.00 0.00 P ATOM 34084 O1P A B1586 34.039 -75.211 -37.809 1.00 0.00 O ATOM 34085 O2P A B1586 32.127 -74.147 -36.583 1.00 0.00 O ATOM 34086 O5* A B1586 31.580 -74.857 -39.212 1.00 0.00 O ATOM 34087 C5* A B1586 30.482 -75.083 -40.242 1.00 0.00 C ATOM 34088 C4* A B1586 30.664 -76.208 -41.459 1.00 0.00 C ATOM 34089 O4* A B1586 31.453 -77.343 -41.008 1.00 0.00 O ATOM 34090 C3* A B1586 29.775 -76.792 -42.560 1.00 0.00 C ATOM 34091 O3* A B1586 29.411 -75.907 -43.877 1.00 0.00 O ATOM 34092 C2* A B1586 30.708 -77.812 -43.213 1.00 0.00 C ATOM 34093 O2* A B1586 31.654 -77.164 -44.045 1.00 0.00 O ATOM 34094 C1* A B1586 31.470 -78.347 -42.006 1.00 0.00 C ATOM 34095 N9 A B1586 30.830 -79.777 -41.339 1.00 0.00 N ATOM 34096 C8 A B1586 31.422 -81.017 -41.245 1.00 0.00 C ATOM 34097 N7 A B1586 30.755 -81.870 -40.531 1.00 0.00 N ATOM 34098 C5 A B1586 29.635 -81.157 -40.123 1.00 0.00 C ATOM 34099 C6 A B1586 28.524 -81.505 -39.336 1.00 0.00 C ATOM 34100 N6 A B1586 28.353 -82.724 -38.789 1.00 0.00 N ATOM 34101 N1 A B1586 27.590 -80.562 -39.122 1.00 0.00 N ATOM 34102 C2 A B1586 27.763 -79.354 -39.666 1.00 0.00 C ATOM 34103 N3 A B1586 28.753 -78.920 -40.415 1.00 0.00 N ATOM 34104 C4 A B1586 29.671 -79.883 -40.610 1.00 0.00 C ATOM 34105 P G B1587 29.248 -76.521 -45.685 1.00 0.00 P ATOM 34106 O1P G B1587 29.452 -75.419 -46.650 1.00 0.00 O ATOM 34107 O2P G B1587 27.930 -77.193 -45.743 1.00 0.00 O ATOM 34108 O5* G B1587 30.414 -77.606 -45.851 1.00 0.00 O ATOM 34109 C5* G B1587 30.516 -78.337 -47.087 1.00 0.00 C ATOM 34110 C4* G B1587 31.755 -79.210 -47.073 1.00 0.00 C ATOM 34111 O4* G B1587 32.933 -78.356 -47.095 1.00 0.00 O ATOM 34112 C3* G B1587 31.949 -80.069 -45.824 1.00 0.00 C ATOM 34113 O3* G B1587 31.233 -81.264 -45.910 1.00 0.00 O ATOM 34114 C2* G B1587 33.461 -80.287 -45.814 1.00 0.00 C ATOM 34115 O2* G B1587 33.834 -81.253 -46.780 1.00 0.00 O ATOM 34116 C1* G B1587 33.964 -78.939 -46.315 1.00 0.00 C ATOM 34117 N9 G B1587 34.313 -77.986 -45.222 1.00 0.00 N ATOM 34118 C8 G B1587 33.625 -76.870 -44.791 1.00 0.00 C ATOM 34119 N7 G B1587 34.205 -76.241 -43.797 1.00 0.00 N ATOM 34120 C5 G B1587 35.354 -76.992 -43.553 1.00 0.00 C ATOM 34121 C6 G B1587 36.380 -76.804 -42.593 1.00 0.00 C ATOM 34122 O6 G B1587 36.491 -75.921 -41.743 1.00 0.00 O ATOM 34123 N1 G B1587 37.362 -77.800 -42.690 1.00 0.00 N ATOM 34124 C2 G B1587 37.352 -78.842 -43.596 1.00 0.00 C ATOM 34125 N2 G B1587 38.380 -79.691 -43.528 1.00 0.00 N ATOM 34126 N3 G B1587 36.388 -79.017 -44.497 1.00 0.00 N ATOM 34127 C4 G B1587 35.427 -78.058 -44.416 1.00 0.00 C ATOM 34128 P G B1588 30.609 -81.904 -44.544 1.00 0.00 P ATOM 34129 O1P G B1588 29.601 -82.935 -44.876 1.00 0.00 O ATOM 34130 O2P G B1588 30.145 -80.815 -43.656 1.00 0.00 O ATOM 34131 O5* G B1588 31.908 -82.598 -43.914 1.00 0.00 O ATOM 34132 C5* G B1588 32.578 -83.629 -44.661 1.00 0.00 C ATOM 34133 C4* G B1588 33.841 -84.056 -43.942 1.00 0.00 C ATOM 34134 O4* G B1588 34.793 -82.955 -43.974 1.00 0.00 O ATOM 34135 C3* G B1588 33.687 -84.364 -42.453 1.00 0.00 C ATOM 34136 O3* G B1588 33.253 -85.672 -42.241 1.00 0.00 O ATOM 34137 C2* G B1588 35.101 -84.121 -41.928 1.00 0.00 C ATOM 34138 O2* G B1588 35.955 -85.199 -42.266 1.00 0.00 O ATOM 34139 C1* G B1588 35.538 -82.924 -42.765 1.00 0.00 C ATOM 34140 N9 G B1588 35.296 -81.610 -42.110 1.00 0.00 N ATOM 34141 C8 G B1588 34.334 -80.664 -42.385 1.00 0.00 C ATOM 34142 N7 G B1588 34.396 -79.603 -41.613 1.00 0.00 N ATOM 34143 C5 G B1588 35.474 -79.867 -40.768 1.00 0.00 C ATOM 34144 C6 G B1588 36.024 -79.088 -39.717 1.00 0.00 C ATOM 34145 O6 G B1588 35.671 -77.984 -39.309 1.00 0.00 O ATOM 34146 N1 G B1588 37.113 -79.736 -39.121 1.00 0.00 N ATOM 34147 C2 G B1588 37.608 -80.971 -39.486 1.00 0.00 C ATOM 34148 N2 G B1588 38.655 -81.417 -38.790 1.00 0.00 N ATOM 34149 N3 G B1588 37.089 -81.705 -40.472 1.00 0.00 N ATOM 34150 C4 G B1588 36.031 -81.090 -41.063 1.00 0.00 C ATOM 34151 P U B1589 32.273 -85.978 -40.973 1.00 0.00 P ATOM 34152 O1P U B1589 31.638 -87.306 -41.128 1.00 0.00 O ATOM 34153 O2P U B1589 31.348 -84.840 -40.779 1.00 0.00 O ATOM 34154 O5* U B1589 33.336 -86.024 -39.776 1.00 0.00 O ATOM 34155 C5* U B1589 34.387 -87.005 -39.814 1.00 0.00 C ATOM 34156 C4* U B1589 35.342 -86.785 -38.659 1.00 0.00 C ATOM 34157 O4* U B1589 36.055 -85.533 -38.865 1.00 0.00 O ATOM 34158 C3* U B1589 34.696 -86.618 -37.281 1.00 0.00 C ATOM 34159 O3* U B1589 34.427 -87.851 -36.691 1.00 0.00 O ATOM 34160 C2* U B1589 35.754 -85.822 -36.526 1.00 0.00 C ATOM 34161 O2* U B1589 36.833 -86.656 -36.139 1.00 0.00 O ATOM 34162 C1* U B1589 36.281 -84.896 -37.617 1.00 0.00 C ATOM 34163 N1 U B1589 35.610 -83.566 -37.650 1.00 0.00 N ATOM 34164 C2 U B1589 35.940 -82.676 -36.658 1.00 0.00 C ATOM 34165 O2 U B1589 36.742 -82.931 -35.777 1.00 0.00 O ATOM 34166 N3 U B1589 35.298 -81.454 -36.722 1.00 0.00 N ATOM 34167 C4 U B1589 34.373 -81.060 -37.670 1.00 0.00 C ATOM 34168 O4 U B1589 33.865 -79.938 -37.624 1.00 0.00 O ATOM 34169 C5 U B1589 34.094 -82.064 -38.670 1.00 0.00 C ATOM 34170 C6 U B1589 34.703 -83.260 -38.630 1.00 0.00 C ATOM 34171 P A B1590 33.106 -87.995 -35.742 1.00 0.00 P ATOM 34172 O1P A B1590 32.790 -89.423 -35.514 1.00 0.00 O ATOM 34173 O2P A B1590 32.009 -87.174 -36.299 1.00 0.00 O ATOM 34174 O5* A B1590 33.636 -87.337 -34.385 1.00 0.00 O ATOM 34175 C5* A B1590 34.769 -87.930 -33.720 1.00 0.00 C ATOM 34176 C4* A B1590 35.176 -87.076 -32.533 1.00 0.00 C ATOM 34177 O4* A B1590 35.708 -85.812 -33.023 1.00 0.00 O ATOM 34178 C3* A B1590 34.048 -86.663 -31.591 1.00 0.00 C ATOM 34179 O3* A B1590 33.773 -87.654 -30.652 1.00 0.00 O ATOM 34180 C2* A B1590 34.609 -85.394 -30.958 1.00 0.00 C ATOM 34181 O2* A B1590 35.581 -85.705 -29.977 1.00 0.00 O ATOM 34182 C1* A B1590 35.352 -84.765 -32.134 1.00 0.00 C ATOM 34183 N9 A B1590 34.541 -83.774 -32.895 1.00 0.00 N ATOM 34184 C8 A B1590 33.952 -83.900 -34.133 1.00 0.00 C ATOM 34185 N7 A B1590 33.306 -82.845 -34.521 1.00 0.00 N ATOM 34186 C5 A B1590 33.472 -81.946 -33.475 1.00 0.00 C ATOM 34187 C6 A B1590 33.021 -80.633 -33.275 1.00 0.00 C ATOM 34188 N6 A B1590 32.277 -79.961 -34.165 1.00 0.00 N ATOM 34189 N1 A B1590 33.367 -80.028 -32.123 1.00 0.00 N ATOM 34190 C2 A B1590 34.105 -80.701 -31.240 1.00 0.00 C ATOM 34191 N3 A B1590 34.580 -81.927 -31.318 1.00 0.00 N ATOM 34192 C4 A B1590 34.221 -82.507 -32.481 1.00 0.00 C ATOM 34193 P A B1591 32.235 -87.854 -30.144 1.00 0.00 P ATOM 34194 O1P A B1591 32.086 -89.154 -29.455 1.00 0.00 O ATOM 34195 O2P A B1591 31.309 -87.613 -31.272 1.00 0.00 O ATOM 34196 O5* A B1591 32.115 -86.662 -29.082 1.00 0.00 O ATOM 34197 C5* A B1591 32.991 -86.649 -27.942 1.00 0.00 C ATOM 34198 C4* A B1591 32.790 -85.379 -27.144 1.00 0.00 C ATOM 34199 O4* A B1591 33.261 -84.247 -27.935 1.00 0.00 O ATOM 34200 C3* A B1591 31.341 -85.020 -26.816 1.00 0.00 C ATOM 34201 O3* A B1591 30.898 -85.685 -25.674 1.00 0.00 O ATOM 34202 C2* A B1591 31.419 -83.509 -26.623 1.00 0.00 C ATOM 34203 O2* A B1591 31.991 -83.189 -25.367 1.00 0.00 O ATOM 34204 C1* A B1591 32.439 -83.118 -27.689 1.00 0.00 C ATOM 34205 N9 A B1591 31.824 -82.707 -28.985 1.00 0.00 N ATOM 34206 C8 A B1591 31.765 -83.397 -30.173 1.00 0.00 C ATOM 34207 N7 A B1591 31.155 -82.762 -31.125 1.00 0.00 N ATOM 34208 C5 A B1591 30.776 -81.564 -30.535 1.00 0.00 C ATOM 34209 C6 A B1591 30.083 -80.444 -31.025 1.00 0.00 C ATOM 34210 N6 A B1591 29.629 -80.347 -32.281 1.00 0.00 N ATOM 34211 N1 A B1591 29.875 -79.423 -30.174 1.00 0.00 N ATOM 34212 C2 A B1591 30.327 -79.528 -28.924 1.00 0.00 C ATOM 34213 N3 A B1591 30.982 -80.516 -28.357 1.00 0.00 N ATOM 34214 C4 A B1591 31.179 -81.525 -29.232 1.00 0.00 C ATOM 34215 P C B1592 29.331 -86.140 -25.589 1.00 0.00 P ATOM 34216 O1P C B1592 29.143 -87.127 -24.503 1.00 0.00 O ATOM 34217 O2P C B1592 28.868 -86.561 -26.928 1.00 0.00 O ATOM 34218 O5* C B1592 28.638 -84.755 -25.186 1.00 0.00 O ATOM 34219 C5* C B1592 29.017 -84.116 -23.952 1.00 0.00 C ATOM 34220 C4* C B1592 28.334 -82.769 -23.834 1.00 0.00 C ATOM 34221 O4* C B1592 28.880 -81.875 -24.847 1.00 0.00 O ATOM 34222 C3* C B1592 26.830 -82.757 -24.104 1.00 0.00 C ATOM 34223 O3* C B1592 26.101 -83.107 -22.969 1.00 0.00 O ATOM 34224 C2* C B1592 26.593 -81.311 -24.534 1.00 0.00 C ATOM 34225 O2* C B1592 26.599 -80.447 -23.410 1.00 0.00 O ATOM 34226 C1* C B1592 27.861 -81.015 -25.330 1.00 0.00 C ATOM 34227 N1 C B1592 27.714 -81.246 -26.795 1.00 0.00 N ATOM 34228 C2 C B1592 26.979 -80.324 -27.530 1.00 0.00 C ATOM 34229 O2 C B1592 26.482 -79.354 -26.943 1.00 0.00 O ATOM 34230 N3 C B1592 26.836 -80.517 -28.865 1.00 0.00 N ATOM 34231 C4 C B1592 27.392 -81.577 -29.463 1.00 0.00 C ATOM 34232 N4 C B1592 27.221 -81.724 -30.769 1.00 0.00 N ATOM 34233 C5 C B1592 28.153 -82.542 -28.724 1.00 0.00 C ATOM 34234 C6 C B1592 28.282 -82.330 -27.393 1.00 0.00 C ATOM 34235 P A B1593 24.710 -83.939 -23.156 1.00 0.00 P ATOM 34236 O1P A B1593 24.287 -84.525 -21.862 1.00 0.00 O ATOM 34237 O2P A B1593 24.851 -84.892 -24.278 1.00 0.00 O ATOM 34238 O5* A B1593 23.708 -82.763 -23.567 1.00 0.00 O ATOM 34239 C5* A B1593 23.494 -81.674 -22.649 1.00 0.00 C ATOM 34240 C4* A B1593 22.615 -80.618 -23.289 1.00 0.00 C ATOM 34241 O4* A B1593 23.353 -79.991 -24.376 1.00 0.00 O ATOM 34242 C3* A B1593 21.338 -81.132 -23.955 1.00 0.00 C ATOM 34243 O3* A B1593 20.304 -81.284 -23.031 1.00 0.00 O ATOM 34244 C2* A B1593 21.055 -80.039 -24.983 1.00 0.00 C ATOM 34245 O2* A B1593 20.506 -78.890 -24.358 1.00 0.00 O ATOM 34246 C1* A B1593 22.464 -79.669 -25.435 1.00 0.00 C ATOM 34247 N9 A B1593 22.913 -80.399 -26.652 1.00 0.00 N ATOM 34248 C8 A B1593 23.817 -81.432 -26.757 1.00 0.00 C ATOM 34249 N7 A B1593 23.992 -81.856 -27.971 1.00 0.00 N ATOM 34250 C5 A B1593 23.151 -81.055 -28.732 1.00 0.00 C ATOM 34251 C6 A B1593 22.876 -81.008 -30.108 1.00 0.00 C ATOM 34252 N6 A B1593 23.453 -81.820 -31.005 1.00 0.00 N ATOM 34253 N1 A B1593 21.988 -80.091 -30.531 1.00 0.00 N ATOM 34254 C2 A B1593 21.419 -79.287 -29.635 1.00 0.00 C ATOM 34255 N3 A B1593 21.595 -79.240 -28.331 1.00 0.00 N ATOM 34256 C4 A B1593 22.491 -80.168 -27.934 1.00 0.00 C ATOM 34257 P U B1594 19.229 -82.494 -23.248 1.00 0.00 P ATOM 34258 O1P U B1594 18.456 -82.719 -22.008 1.00 0.00 O ATOM 34259 O2P U B1594 19.929 -83.678 -23.796 1.00 0.00 O ATOM 34260 O5* U B1594 18.283 -81.856 -24.370 1.00 0.00 O ATOM 34261 C5* U B1594 17.575 -80.638 -24.077 1.00 0.00 C ATOM 34262 C4* U B1594 16.843 -80.153 -25.311 1.00 0.00 C ATOM 34263 O4* U B1594 17.824 -79.733 -26.304 1.00 0.00 O ATOM 34264 C3* U B1594 16.004 -81.200 -26.045 1.00 0.00 C ATOM 34265 O3* U B1594 14.740 -81.331 -25.475 1.00 0.00 O ATOM 34266 C2* U B1594 15.956 -80.637 -27.462 1.00 0.00 C ATOM 34267 O2* U B1594 15.043 -79.555 -27.543 1.00 0.00 O ATOM 34268 C1* U B1594 17.355 -80.046 -27.606 1.00 0.00 C ATOM 34269 N1 U B1594 18.335 -80.972 -28.238 1.00 0.00 N ATOM 34270 C2 U B1594 18.221 -81.178 -29.592 1.00 0.00 C ATOM 34271 O2 U B1594 17.366 -80.636 -30.273 1.00 0.00 O ATOM 34272 N3 U B1594 19.147 -82.042 -30.139 1.00 0.00 N ATOM 34273 C4 U B1594 20.150 -82.706 -29.466 1.00 0.00 C ATOM 34274 O4 U B1594 20.921 -83.458 -30.066 1.00 0.00 O ATOM 34275 C5 U B1594 20.188 -82.429 -28.048 1.00 0.00 C ATOM 34276 C6 U B1594 19.300 -81.590 -27.488 1.00 0.00 C ATOM 34277 P C B1595 14.027 -82.801 -25.472 1.00 0.00 P ATOM 34278 O1P C B1595 12.892 -82.818 -24.523 1.00 0.00 O ATOM 34279 O2P C B1595 15.056 -83.846 -25.268 1.00 0.00 O ATOM 34280 O5* C B1595 13.477 -82.868 -26.975 1.00 0.00 O ATOM 34281 C5* C B1595 12.528 -81.881 -27.418 1.00 0.00 C ATOM 34282 C4* C B1595 12.245 -82.060 -28.894 1.00 0.00 C ATOM 34283 O4* C B1595 13.445 -81.725 -29.649 1.00 0.00 O ATOM 34284 C3* C B1595 11.912 -83.485 -29.340 1.00 0.00 C ATOM 34285 O3* C B1595 10.566 -83.778 -29.153 1.00 0.00 O ATOM 34286 C2* C B1595 12.308 -83.456 -30.816 1.00 0.00 C ATOM 34287 O2* C B1595 11.333 -82.773 -31.585 1.00 0.00 O ATOM 34288 C1* C B1595 13.549 -82.569 -30.784 1.00 0.00 C ATOM 34289 N1 C B1595 14.826 -83.328 -30.677 1.00 0.00 N ATOM 34290 C2 C B1595 15.278 -84.001 -31.806 1.00 0.00 C ATOM 34291 O2 C B1595 14.607 -83.941 -32.845 1.00 0.00 O ATOM 34292 N3 C B1595 16.439 -84.701 -31.730 1.00 0.00 N ATOM 34293 C4 C B1595 17.135 -84.742 -30.587 1.00 0.00 C ATOM 34294 N4 C B1595 18.263 -85.436 -30.563 1.00 0.00 N ATOM 34295 C5 C B1595 16.688 -84.054 -29.411 1.00 0.00 C ATOM 34296 C6 C B1595 15.524 -83.362 -29.512 1.00 0.00 C ATOM 34297 P A B1596 10.143 -85.306 -28.753 1.00 0.00 P ATOM 34298 O1P A B1596 8.755 -85.337 -28.245 1.00 0.00 O ATOM 34299 O2P A B1596 11.172 -85.881 -27.859 1.00 0.00 O ATOM 34300 O5* A B1596 10.211 -86.019 -30.186 1.00 0.00 O ATOM 34301 C5* A B1596 9.352 -85.547 -31.243 1.00 0.00 C ATOM 34302 C4* A B1596 9.670 -86.274 -32.533 1.00 0.00 C ATOM 34303 O4* A B1596 10.997 -85.875 -32.984 1.00 0.00 O ATOM 34304 C3* A B1596 9.758 -87.798 -32.435 1.00 0.00 C ATOM 34305 O3* A B1596 8.501 -88.392 -32.533 1.00 0.00 O ATOM 34306 C2* A B1596 10.664 -88.141 -33.613 1.00 0.00 C ATOM 34307 O2* A B1596 9.953 -88.061 -34.836 1.00 0.00 O ATOM 34308 C1* A B1596 11.649 -86.978 -33.596 1.00 0.00 C ATOM 34309 N9 A B1596 12.894 -87.256 -32.831 1.00 0.00 N ATOM 34310 C8 A B1596 13.275 -86.790 -31.592 1.00 0.00 C ATOM 34311 N7 A B1596 14.434 -87.225 -31.198 1.00 0.00 N ATOM 34312 C5 A B1596 14.859 -88.037 -32.240 1.00 0.00 C ATOM 34313 C6 A B1596 16.023 -88.798 -32.435 1.00 0.00 C ATOM 34314 N6 A B1596 17.019 -88.867 -31.540 1.00 0.00 N ATOM 34315 N1 A B1596 16.127 -89.487 -33.584 1.00 0.00 N ATOM 34316 C2 A B1596 15.136 -89.418 -34.469 1.00 0.00 C ATOM 34317 N3 A B1596 14.008 -88.744 -34.399 1.00 0.00 N ATOM 34318 C4 A B1596 13.927 -88.061 -33.238 1.00 0.00 C ATOM 34319 P A B1597 8.207 -89.755 -31.684 1.00 0.00 P ATOM 34320 O1P A B1597 6.752 -90.017 -31.622 1.00 0.00 O ATOM 34321 O2P A B1597 8.904 -89.683 -30.381 1.00 0.00 O ATOM 34322 O5* A B1597 8.915 -90.846 -32.617 1.00 0.00 O ATOM 34323 C5* A B1597 8.449 -91.017 -33.968 1.00 0.00 C ATOM 34324 C4* A B1597 9.334 -92.003 -34.702 1.00 0.00 C ATOM 34325 O4* A B1597 10.652 -91.410 -34.884 1.00 0.00 O ATOM 34326 C3* A B1597 9.617 -93.317 -33.971 1.00 0.00 C ATOM 34327 O3* A B1597 8.597 -94.243 -34.171 1.00 0.00 O ATOM 34328 C2* A B1597 10.938 -93.752 -34.598 1.00 0.00 C ATOM 34329 O2* A B1597 10.730 -94.287 -35.894 1.00 0.00 O ATOM 34330 C1* A B1597 11.649 -92.414 -34.780 1.00 0.00 C ATOM 34331 N9 A B1597 12.549 -92.053 -33.648 1.00 0.00 N ATOM 34332 C8 A B1597 12.361 -91.119 -32.655 1.00 0.00 C ATOM 34333 N7 A B1597 13.343 -91.047 -31.809 1.00 0.00 N ATOM 34334 C5 A B1597 14.248 -91.998 -32.260 1.00 0.00 C ATOM 34335 C6 A B1597 15.504 -92.409 -31.790 1.00 0.00 C ATOM 34336 N6 A B1597 16.093 -91.891 -30.702 1.00 0.00 N ATOM 34337 N1 A B1597 16.136 -93.379 -32.476 1.00 0.00 N ATOM 34338 C2 A B1597 15.546 -93.890 -33.556 1.00 0.00 C ATOM 34339 N3 A B1597 14.382 -93.587 -34.090 1.00 0.00 N ATOM 34340 C4 A B1597 13.770 -92.614 -33.382 1.00 0.00 C ATOM 34341 P A B1598 7.457 -94.339 -32.733 1.00 0.00 P ATOM 34342 O1P A B1598 7.345 -95.735 -32.249 1.00 0.00 O ATOM 34343 O2P A B1598 6.180 -93.640 -32.987 1.00 0.00 O ATOM 34344 O5* A B1598 8.557 -93.339 -31.682 1.00 0.00 O ATOM 34345 C5* A B1598 9.873 -92.937 -31.266 1.00 0.00 C ATOM 34346 C4* A B1598 9.839 -91.931 -29.980 1.00 0.00 C ATOM 34347 O4* A B1598 11.013 -91.495 -29.237 1.00 0.00 O ATOM 34348 C3* A B1598 8.709 -91.877 -28.952 1.00 0.00 C ATOM 34349 O3* A B1598 7.499 -90.645 -28.828 1.00 0.00 O ATOM 34350 C2* A B1598 9.420 -92.312 -27.676 1.00 0.00 C ATOM 34351 O2* A B1598 9.630 -93.712 -27.667 1.00 0.00 O ATOM 34352 C1* A B1598 10.787 -91.661 -27.847 1.00 0.00 C ATOM 34353 N9 A B1598 10.946 -90.158 -27.101 1.00 0.00 N ATOM 34354 C8 A B1598 10.730 -88.909 -27.642 1.00 0.00 C ATOM 34355 N7 A B1598 10.769 -87.946 -26.773 1.00 0.00 N ATOM 34356 C5 A B1598 11.022 -88.590 -25.568 1.00 0.00 C ATOM 34357 C6 A B1598 11.179 -88.120 -24.255 1.00 0.00 C ATOM 34358 N6 A B1598 11.098 -86.824 -23.917 1.00 0.00 N ATOM 34359 N1 A B1598 11.423 -89.030 -23.295 1.00 0.00 N ATOM 34360 C2 A B1598 11.502 -90.318 -23.631 1.00 0.00 C ATOM 34361 N3 A B1598 11.373 -90.871 -24.819 1.00 0.00 N ATOM 34362 C4 A B1598 11.129 -89.938 -25.763 1.00 0.00 C ATOM 34363 P U B1599 6.476 -90.975 -27.059 1.00 0.00 P ATOM 34364 O1P U B1599 7.932 -91.081 -26.819 1.00 0.00 O ATOM 34365 O2P U B1599 5.772 -92.248 -27.336 1.00 0.00 O ATOM 34366 O5* U B1599 5.778 -90.226 -25.830 1.00 0.00 O ATOM 34367 C5* U B1599 4.608 -89.423 -26.074 1.00 0.00 C ATOM 34368 C4* U B1599 4.044 -88.914 -24.762 1.00 0.00 C ATOM 34369 O4* U B1599 3.519 -90.043 -24.007 1.00 0.00 O ATOM 34370 C3* U B1599 5.053 -88.272 -23.807 1.00 0.00 C ATOM 34371 O3* U B1599 5.266 -86.931 -24.117 1.00 0.00 O ATOM 34372 C2* U B1599 4.378 -88.465 -22.452 1.00 0.00 C ATOM 34373 O2* U B1599 3.322 -87.536 -22.281 1.00 0.00 O ATOM 34374 C1* U B1599 3.737 -89.837 -22.621 1.00 0.00 C ATOM 34375 N1 U B1599 4.583 -90.958 -22.120 1.00 0.00 N ATOM 34376 C2 U B1599 4.680 -91.108 -20.758 1.00 0.00 C ATOM 34377 O2 U B1599 4.109 -90.373 -19.968 1.00 0.00 O ATOM 34378 N3 U B1599 5.470 -92.156 -20.330 1.00 0.00 N ATOM 34379 C4 U B1599 6.158 -93.044 -21.133 1.00 0.00 C ATOM 34380 O4 U B1599 6.836 -93.944 -20.634 1.00 0.00 O ATOM 34381 C5 U B1599 5.997 -92.806 -22.546 1.00 0.00 C ATOM 34382 C6 U B1599 5.232 -91.795 -22.989 1.00 0.00 C ATOM 34383 P C B1600 6.750 -86.296 -23.876 1.00 0.00 P ATOM 34384 O1P C B1600 6.879 -85.004 -24.587 1.00 0.00 O ATOM 34385 O2P C B1600 7.779 -87.312 -24.193 1.00 0.00 O ATOM 34386 O5* C B1600 6.713 -86.037 -22.295 1.00 0.00 O ATOM 34387 C5* C B1600 5.719 -85.146 -21.756 1.00 0.00 C ATOM 34388 C4* C B1600 5.786 -85.149 -20.243 1.00 0.00 C ATOM 34389 O4* C B1600 5.356 -86.454 -19.756 1.00 0.00 O ATOM 34390 C3* C B1600 7.178 -84.970 -19.636 1.00 0.00 C ATOM 34391 O3* C B1600 7.525 -83.624 -19.543 1.00 0.00 O ATOM 34392 C2* C B1600 7.019 -85.632 -18.271 1.00 0.00 C ATOM 34393 O2* C B1600 6.305 -84.788 -17.381 1.00 0.00 O ATOM 34394 C1* C B1600 6.102 -86.805 -18.601 1.00 0.00 C ATOM 34395 N1 C B1600 6.831 -88.071 -18.892 1.00 0.00 N ATOM 34396 C2 C B1600 7.399 -88.754 -17.819 1.00 0.00 C ATOM 34397 O2 C B1600 7.273 -88.287 -16.682 1.00 0.00 O ATOM 34398 N3 C B1600 8.068 -89.911 -18.064 1.00 0.00 N ATOM 34399 C4 C B1600 8.179 -90.383 -19.311 1.00 0.00 C ATOM 34400 N4 C B1600 8.841 -91.516 -19.496 1.00 0.00 N ATOM 34401 C5 C B1600 7.604 -89.696 -20.428 1.00 0.00 C ATOM 34402 C6 C B1600 6.938 -88.542 -20.163 1.00 0.00 C ATOM 34403 P G B1601 9.091 -83.203 -19.742 1.00 0.00 P ATOM 34404 O1P G B1601 9.205 -81.748 -19.974 1.00 0.00 O ATOM 34405 O2P G B1601 9.710 -84.071 -20.769 1.00 0.00 O ATOM 34406 O5* G B1601 9.684 -83.567 -18.298 1.00 0.00 O ATOM 34407 C5* G B1601 9.153 -82.902 -17.137 1.00 0.00 C ATOM 34408 C4* G B1601 9.763 -83.484 -15.878 1.00 0.00 C ATOM 34409 O4* G B1601 9.292 -84.854 -15.719 1.00 0.00 O ATOM 34410 C3* G B1601 11.287 -83.619 -15.879 1.00 0.00 C ATOM 34411 O3* G B1601 11.905 -82.428 -15.502 1.00 0.00 O ATOM 34412 C2* G B1601 11.510 -84.743 -14.871 1.00 0.00 C ATOM 34413 O2* G B1601 11.349 -84.268 -13.544 1.00 0.00 O ATOM 34414 C1* G B1601 10.320 -85.654 -15.160 1.00 0.00 C ATOM 34415 N9 G B1601 10.627 -86.750 -16.124 1.00 0.00 N ATOM 34416 C8 G B1601 10.252 -86.874 -17.444 1.00 0.00 C ATOM 34417 N7 G B1601 10.690 -87.969 -18.021 1.00 0.00 N ATOM 34418 C5 G B1601 11.404 -88.613 -17.011 1.00 0.00 C ATOM 34419 C6 G B1601 12.109 -89.843 -17.034 1.00 0.00 C ATOM 34420 O6 G B1601 12.251 -90.634 -17.963 1.00 0.00 O ATOM 34421 N1 G B1601 12.690 -90.121 -15.788 1.00 0.00 N ATOM 34422 C2 G B1601 12.603 -89.316 -14.670 1.00 0.00 C ATOM 34423 N2 G B1601 13.229 -89.758 -13.577 1.00 0.00 N ATOM 34424 N3 G B1601 11.942 -88.161 -14.652 1.00 0.00 N ATOM 34425 C4 G B1601 11.370 -87.875 -15.851 1.00 0.00 C ATOM 34426 P U B1602 10.988 -80.999 -14.744 1.00 0.00 P ATOM 34427 O1P U B1602 9.551 -81.281 -14.547 1.00 0.00 O ATOM 34428 O2P U B1602 11.308 -79.738 -15.446 1.00 0.00 O ATOM 34429 O5* U B1602 11.886 -81.083 -13.149 1.00 0.00 O ATOM 34430 C5* U B1602 12.440 -80.172 -12.168 1.00 0.00 C ATOM 34431 C4* U B1602 13.756 -79.383 -12.721 1.00 0.00 C ATOM 34432 O4* U B1602 14.185 -79.780 -14.053 1.00 0.00 O ATOM 34433 C3* U B1602 13.933 -77.864 -12.718 1.00 0.00 C ATOM 34434 O3* U B1602 13.897 -77.145 -11.341 1.00 0.00 O ATOM 34435 C2* U B1602 15.197 -77.686 -13.551 1.00 0.00 C ATOM 34436 O2* U B1602 16.352 -78.031 -12.802 1.00 0.00 O ATOM 34437 C1* U B1602 15.017 -78.776 -14.609 1.00 0.00 C ATOM 34438 N1 U B1602 14.315 -78.244 -16.063 1.00 0.00 N ATOM 34439 C2 U B1602 14.827 -77.101 -16.619 1.00 0.00 C ATOM 34440 O2 U B1602 15.732 -76.461 -16.109 1.00 0.00 O ATOM 34441 N3 U B1602 14.249 -76.707 -17.814 1.00 0.00 N ATOM 34442 C4 U B1602 13.222 -77.358 -18.479 1.00 0.00 C ATOM 34443 O4 U B1602 12.791 -76.910 -19.539 1.00 0.00 O ATOM 34444 C5 U B1602 12.752 -78.545 -17.809 1.00 0.00 C ATOM 34445 C6 U B1602 13.295 -78.951 -16.651 1.00 0.00 C ATOM 34446 P A B1603 14.538 -75.421 -11.260 1.00 0.00 P ATOM 34447 O1P A B1603 13.740 -74.523 -12.122 1.00 0.00 O ATOM 34448 O2P A B1603 16.003 -75.367 -11.459 1.00 0.00 O ATOM 34449 O5* A B1603 14.168 -75.175 -9.479 1.00 0.00 O ATOM 34450 C5* A B1603 14.843 -74.244 -8.586 1.00 0.00 C ATOM 34451 C4* A B1603 14.562 -74.408 -6.996 1.00 0.00 C ATOM 34452 O4* A B1603 13.787 -75.555 -6.543 1.00 0.00 O ATOM 34453 C3* A B1603 15.611 -74.209 -5.896 1.00 0.00 C ATOM 34454 O3* A B1603 16.462 -72.929 -5.882 1.00 0.00 O ATOM 34455 C2* A B1603 14.822 -74.571 -4.639 1.00 0.00 C ATOM 34456 O2* A B1603 13.946 -73.522 -4.271 1.00 0.00 O ATOM 34457 C1* A B1603 13.953 -75.721 -5.144 1.00 0.00 C ATOM 34458 N9 A B1603 14.591 -77.263 -4.862 1.00 0.00 N ATOM 34459 C8 A B1603 15.805 -77.772 -5.261 1.00 0.00 C ATOM 34460 N7 A B1603 16.101 -78.917 -4.731 1.00 0.00 N ATOM 34461 C5 A B1603 15.015 -79.198 -3.914 1.00 0.00 C ATOM 34462 C6 A B1603 14.718 -80.275 -3.070 1.00 0.00 C ATOM 34463 N6 A B1603 15.536 -81.329 -2.901 1.00 0.00 N ATOM 34464 N1 A B1603 13.548 -80.245 -2.407 1.00 0.00 N ATOM 34465 C2 A B1603 12.745 -79.199 -2.574 1.00 0.00 C ATOM 34466 N3 A B1603 12.912 -78.132 -3.331 1.00 0.00 N ATOM 34467 C4 A B1603 14.090 -78.198 -3.991 1.00 0.00 C ATOM 34468 P C B1604 18.213 -73.126 -6.405 1.00 0.00 P ATOM 34469 O1P C B1604 18.351 -72.950 -7.863 1.00 0.00 O ATOM 34470 O2P C B1604 18.822 -74.352 -5.840 1.00 0.00 O ATOM 34471 O5* C B1604 18.782 -71.630 -5.514 1.00 0.00 O ATOM 34472 C5* C B1604 19.643 -70.503 -5.191 1.00 0.00 C ATOM 34473 C4* C B1604 20.618 -70.055 -6.420 1.00 0.00 C ATOM 34474 O4* C B1604 20.172 -70.500 -7.735 1.00 0.00 O ATOM 34475 C3* C B1604 21.211 -68.669 -6.681 1.00 0.00 C ATOM 34476 O3* C B1604 21.936 -67.798 -5.640 1.00 0.00 O ATOM 34477 C2* C B1604 21.849 -68.854 -8.058 1.00 0.00 C ATOM 34478 O2* C B1604 23.068 -69.570 -7.956 1.00 0.00 O ATOM 34479 C1* C B1604 20.844 -69.770 -8.746 1.00 0.00 C ATOM 34480 N1 C B1604 19.677 -68.963 -9.688 1.00 0.00 N ATOM 34481 C2 C B1604 20.122 -67.991 -10.581 1.00 0.00 C ATOM 34482 O2 C B1604 21.338 -67.763 -10.654 1.00 0.00 O ATOM 34483 N3 C B1604 19.208 -67.334 -11.339 1.00 0.00 N ATOM 34484 C4 C B1604 17.905 -67.608 -11.232 1.00 0.00 C ATOM 34485 N4 C B1604 17.057 -66.941 -11.995 1.00 0.00 N ATOM 34486 C5 C B1604 17.420 -68.604 -10.322 1.00 0.00 C ATOM 34487 C6 C B1604 18.352 -69.254 -9.570 1.00 0.00 C ATOM 34488 P C B1605 23.062 -66.487 -6.300 1.00 0.00 P ATOM 34489 O1P C B1605 23.038 -66.437 -7.776 1.00 0.00 O ATOM 34490 O2P C B1605 24.405 -66.610 -5.683 1.00 0.00 O ATOM 34491 O5* C B1605 22.126 -65.032 -5.676 1.00 0.00 O ATOM 34492 C5* C B1605 22.040 -63.701 -6.283 1.00 0.00 C ATOM 34493 C4* C B1605 21.147 -62.589 -5.477 1.00 0.00 C ATOM 34494 O4* C B1605 20.437 -63.145 -4.331 1.00 0.00 O ATOM 34495 C3* C B1605 21.710 -61.266 -4.964 1.00 0.00 C ATOM 34496 O3* C B1605 22.332 -60.251 -5.955 1.00 0.00 O ATOM 34497 C2* C B1605 20.604 -60.791 -4.017 1.00 0.00 C ATOM 34498 O2* C B1605 19.510 -60.267 -4.749 1.00 0.00 O ATOM 34499 C1* C B1605 20.138 -62.111 -3.406 1.00 0.00 C ATOM 34500 N1 C B1605 18.477 -62.178 -3.047 1.00 0.00 N ATOM 34501 C2 C B1605 17.578 -62.066 -4.105 1.00 0.00 C ATOM 34502 O2 C B1605 18.024 -61.929 -5.256 1.00 0.00 O ATOM 34503 N3 C B1605 16.248 -62.110 -3.845 1.00 0.00 N ATOM 34504 C4 C B1605 15.810 -62.256 -2.588 1.00 0.00 C ATOM 34505 N4 C B1605 14.500 -62.292 -2.380 1.00 0.00 N ATOM 34506 C5 C B1605 16.718 -62.378 -1.482 1.00 0.00 C ATOM 34507 C6 C B1605 18.041 -62.332 -1.770 1.00 0.00 C ATOM 34508 P C B1606 21.304 -59.244 -7.107 1.00 0.00 P ATOM 34509 O1P C B1606 19.854 -59.470 -6.931 1.00 0.00 O ATOM 34510 O2P C B1606 21.815 -59.374 -8.492 1.00 0.00 O ATOM 34511 O5* C B1606 21.788 -57.648 -6.335 1.00 0.00 O ATOM 34512 C5* C B1606 22.610 -56.469 -6.051 1.00 0.00 C ATOM 34513 C4* C B1606 24.049 -56.696 -6.743 1.00 0.00 C ATOM 34514 O4* C B1606 24.074 -57.651 -7.839 1.00 0.00 O ATOM 34515 C3* C B1606 25.447 -56.067 -6.771 1.00 0.00 C ATOM 34516 O3* C B1606 26.057 -54.749 -6.192 1.00 0.00 O ATOM 34517 C2* C B1606 26.321 -57.251 -7.178 1.00 0.00 C ATOM 34518 O2* C B1606 26.521 -58.131 -6.083 1.00 0.00 O ATOM 34519 C1* C B1606 25.417 -57.974 -8.170 1.00 0.00 C ATOM 34520 N1 C B1606 25.681 -57.561 -9.803 1.00 0.00 N ATOM 34521 C2 C B1606 26.653 -58.273 -10.506 1.00 0.00 C ATOM 34522 O2 C B1606 27.278 -59.164 -9.918 1.00 0.00 O ATOM 34523 N3 C B1606 26.870 -57.970 -11.810 1.00 0.00 N ATOM 34524 C4 C B1606 26.169 -56.999 -12.413 1.00 0.00 C ATOM 34525 N4 C B1606 26.417 -56.739 -13.687 1.00 0.00 N ATOM 34526 C5 C B1606 25.170 -56.251 -11.707 1.00 0.00 C ATOM 34527 C6 C B1606 24.969 -56.573 -10.401 1.00 0.00 C ATOM 34528 P C B1607 27.922 -54.584 -6.227 1.00 0.00 P ATOM 34529 O1P C B1607 28.440 -55.541 -7.226 1.00 0.00 O ATOM 34530 O2P C B1607 28.507 -54.689 -4.872 1.00 0.00 O ATOM 34531 O5* C B1607 28.216 -52.885 -6.905 1.00 0.00 O ATOM 34532 C5* C B1607 28.843 -51.902 -7.794 1.00 0.00 C ATOM 34533 C4* C B1607 30.393 -52.033 -8.309 1.00 0.00 C ATOM 34534 O4* C B1607 31.488 -52.281 -7.379 1.00 0.00 O ATOM 34535 C3* C B1607 30.974 -52.416 -9.671 1.00 0.00 C ATOM 34536 O3* C B1607 30.314 -51.976 -11.018 1.00 0.00 O ATOM 34537 C2* C B1607 32.424 -51.964 -9.537 1.00 0.00 C ATOM 34538 O2* C B1607 32.529 -50.553 -9.661 1.00 0.00 O ATOM 34539 C1* C B1607 32.720 -52.298 -8.075 1.00 0.00 C ATOM 34540 N1 C B1607 33.461 -53.826 -7.825 1.00 0.00 N ATOM 34541 C2 C B1607 34.706 -54.043 -8.406 1.00 0.00 C ATOM 34542 O2 C B1607 35.215 -53.151 -9.089 1.00 0.00 O ATOM 34543 N3 C B1607 35.318 -55.242 -8.193 1.00 0.00 N ATOM 34544 C4 C B1607 34.734 -56.185 -7.443 1.00 0.00 C ATOM 34545 N4 C B1607 35.374 -57.334 -7.276 1.00 0.00 N ATOM 34546 C5 C B1607 33.455 -55.977 -6.838 1.00 0.00 C ATOM 34547 C6 C B1607 32.861 -54.777 -7.060 1.00 0.00 C ATOM 34548 P A B1608 29.400 -50.373 -11.185 1.00 0.00 P ATOM 34549 O1P A B1608 29.540 -49.570 -9.957 1.00 0.00 O ATOM 34550 O2P A B1608 28.017 -50.621 -11.640 1.00 0.00 O ATOM 34551 O5* A B1608 30.242 -49.620 -12.657 1.00 0.00 O ATOM 34552 C5* A B1608 29.383 -49.056 -13.743 1.00 0.00 C ATOM 34553 C4* A B1608 29.804 -47.585 -14.500 1.00 0.00 C ATOM 34554 O4* A B1608 30.402 -47.697 -15.824 1.00 0.00 O ATOM 34555 C3* A B1608 30.662 -46.533 -13.796 1.00 0.00 C ATOM 34556 O3* A B1608 30.152 -44.870 -13.524 1.00 0.00 O ATOM 34557 C2* A B1608 32.050 -46.824 -14.355 1.00 0.00 C ATOM 34558 O2* A B1608 32.606 -47.977 -13.736 1.00 0.00 O ATOM 34559 C1* A B1608 31.733 -47.210 -15.793 1.00 0.00 C ATOM 34560 N9 A B1608 31.862 -45.955 -16.899 1.00 0.00 N ATOM 34561 C8 A B1608 31.389 -45.900 -18.191 1.00 0.00 C ATOM 34562 N7 A B1608 31.770 -44.848 -18.845 1.00 0.00 N ATOM 34563 C5 A B1608 32.551 -44.148 -17.939 1.00 0.00 C ATOM 34564 C6 A B1608 33.252 -42.935 -18.026 1.00 0.00 C ATOM 34565 N6 A B1608 33.277 -42.178 -19.129 1.00 0.00 N ATOM 34566 N1 A B1608 33.928 -42.532 -16.936 1.00 0.00 N ATOM 34567 C2 A B1608 33.896 -43.292 -15.843 1.00 0.00 C ATOM 34568 N3 A B1608 33.282 -44.439 -15.640 1.00 0.00 N ATOM 34569 C4 A B1608 32.612 -44.820 -16.749 1.00 0.00 C ATOM 34570 P A B1609 30.129 -43.290 -12.235 1.00 0.00 P ATOM 34571 O1P A B1609 29.564 -43.830 -10.975 1.00 0.00 O ATOM 34572 O2P A B1609 29.231 -42.406 -13.012 1.00 0.00 O ATOM 34573 O5* A B1609 31.484 -41.868 -11.731 1.00 0.00 O ATOM 34574 C5* A B1609 31.954 -40.278 -11.297 1.00 0.00 C ATOM 34575 C4* A B1609 33.211 -39.450 -10.224 1.00 0.00 C ATOM 34576 O4* A B1609 34.132 -40.575 -10.351 1.00 0.00 O ATOM 34577 C3* A B1609 34.126 -38.231 -10.126 1.00 0.00 C ATOM 34578 O3* A B1609 34.326 -36.774 -9.333 1.00 0.00 O ATOM 34579 C2* A B1609 35.309 -38.782 -9.324 1.00 0.00 C ATOM 34580 O2* A B1609 34.977 -38.891 -7.950 1.00 0.00 O ATOM 34581 C1* A B1609 35.415 -40.201 -9.870 1.00 0.00 C ATOM 34582 N9 A B1609 36.536 -40.393 -11.133 1.00 0.00 N ATOM 34583 C8 A B1609 36.319 -40.875 -12.406 1.00 0.00 C ATOM 34584 N7 A B1609 37.336 -40.735 -13.202 1.00 0.00 N ATOM 34585 C5 A B1609 38.298 -40.125 -12.417 1.00 0.00 C ATOM 34586 C6 A B1609 39.612 -39.709 -12.677 1.00 0.00 C ATOM 34587 N6 A B1609 40.212 -39.853 -13.871 1.00 0.00 N ATOM 34588 N1 A B1609 40.296 -39.132 -11.670 1.00 0.00 N ATOM 34589 C2 A B1609 39.698 -38.996 -10.488 1.00 0.00 C ATOM 34590 N3 A B1609 38.480 -39.340 -10.125 1.00 0.00 N ATOM 34591 C4 A B1609 37.823 -39.913 -11.154 1.00 0.00 C ATOM 34592 P A B1610 36.134 -36.044 -9.218 1.00 0.00 P ATOM 34593 O1P A B1610 36.267 -35.127 -10.366 1.00 0.00 O ATOM 34594 O2P A B1610 37.086 -37.181 -9.183 1.00 0.00 O ATOM 34595 O5* A B1610 36.652 -35.093 -7.627 1.00 0.00 O ATOM 34596 C5* A B1610 37.914 -34.235 -7.326 1.00 0.00 C ATOM 34597 C4* A B1610 38.847 -34.081 -5.916 1.00 0.00 C ATOM 34598 O4* A B1610 39.112 -35.293 -5.150 1.00 0.00 O ATOM 34599 C3* A B1610 40.051 -33.188 -5.618 1.00 0.00 C ATOM 34600 O3* A B1610 39.354 -31.639 -5.387 1.00 0.00 O ATOM 34601 C2* A B1610 40.341 -33.514 -4.155 1.00 0.00 C ATOM 34602 O2* A B1610 39.401 -32.886 -3.301 1.00 0.00 O ATOM 34603 C1* A B1610 40.033 -35.013 -4.112 1.00 0.00 C ATOM 34604 N9 A B1610 39.386 -35.533 -2.697 1.00 0.00 N ATOM 34605 C8 A B1610 39.680 -36.674 -1.989 1.00 0.00 C ATOM 34606 N7 A B1610 39.098 -36.740 -0.833 1.00 0.00 N ATOM 34607 C5 A B1610 38.360 -35.571 -0.757 1.00 0.00 C ATOM 34608 C6 A B1610 37.515 -35.040 0.230 1.00 0.00 C ATOM 34609 N6 A B1610 37.253 -35.660 1.390 1.00 0.00 N ATOM 34610 N1 A B1610 36.941 -33.854 -0.021 1.00 0.00 N ATOM 34611 C2 A B1610 37.197 -33.236 -1.172 1.00 0.00 C ATOM 34612 N3 A B1610 37.970 -33.630 -2.167 1.00 0.00 N ATOM 34613 C4 A B1610 38.531 -34.828 -1.890 1.00 0.00 C ATOM 34614 P C B1611 38.722 -30.655 -3.815 1.00 0.00 P ATOM 34615 O1P C B1611 38.757 -29.233 -4.227 1.00 0.00 O ATOM 34616 O2P C B1611 39.556 -31.010 -2.649 1.00 0.00 O ATOM 34617 O5* C B1611 37.206 -31.102 -3.557 1.00 0.00 O ATOM 34618 C5* C B1611 36.144 -30.176 -3.847 1.00 0.00 C ATOM 34619 C4* C B1611 34.799 -30.850 -3.650 1.00 0.00 C ATOM 34620 O4* C B1611 34.629 -31.875 -4.672 1.00 0.00 O ATOM 34621 C3* C B1611 34.624 -31.609 -2.334 1.00 0.00 C ATOM 34622 O3* C B1611 34.232 -30.759 -1.302 1.00 0.00 O ATOM 34623 C2* C B1611 33.546 -32.631 -2.698 1.00 0.00 C ATOM 34624 O2* C B1611 32.269 -32.019 -2.748 1.00 0.00 O ATOM 34625 C1* C B1611 33.925 -32.982 -4.132 1.00 0.00 C ATOM 34626 N1 C B1611 34.799 -34.184 -4.242 1.00 0.00 N ATOM 34627 C2 C B1611 34.219 -35.434 -4.038 1.00 0.00 C ATOM 34628 O2 C B1611 33.011 -35.490 -3.781 1.00 0.00 O ATOM 34629 N3 C B1611 34.999 -36.539 -4.135 1.00 0.00 N ATOM 34630 C4 C B1611 36.304 -36.432 -4.418 1.00 0.00 C ATOM 34631 N4 C B1611 37.020 -37.542 -4.502 1.00 0.00 N ATOM 34632 C5 C B1611 36.922 -35.157 -4.632 1.00 0.00 C ATOM 34633 C6 C B1611 36.125 -34.064 -4.531 1.00 0.00 C ATOM 34634 P C B1612 34.755 -31.071 0.211 1.00 0.00 P ATOM 34635 O1P C B1612 34.551 -29.889 1.079 1.00 0.00 O ATOM 34636 O2P C B1612 36.137 -31.599 0.156 1.00 0.00 O ATOM 34637 O5* C B1612 33.749 -32.239 0.644 1.00 0.00 O ATOM 34638 C5* C B1612 32.335 -31.965 0.678 1.00 0.00 C ATOM 34639 C4* C B1612 31.569 -33.233 0.987 1.00 0.00 C ATOM 34640 O4* C B1612 31.699 -34.150 -0.136 1.00 0.00 O ATOM 34641 C3* C B1612 32.073 -34.040 2.184 1.00 0.00 C ATOM 34642 O3* C B1612 31.554 -33.558 3.383 1.00 0.00 O ATOM 34643 C2* C B1612 31.577 -35.446 1.850 1.00 0.00 C ATOM 34644 O2* C B1612 30.188 -35.562 2.106 1.00 0.00 O ATOM 34645 C1* C B1612 31.758 -35.486 0.336 1.00 0.00 C ATOM 34646 N1 C B1612 33.058 -36.072 -0.097 1.00 0.00 N ATOM 34647 C2 C B1612 33.214 -37.452 0.007 1.00 0.00 C ATOM 34648 O2 C B1612 32.276 -38.128 0.448 1.00 0.00 O ATOM 34649 N3 C B1612 34.391 -38.005 -0.382 1.00 0.00 N ATOM 34650 C4 C B1612 35.382 -37.239 -0.855 1.00 0.00 C ATOM 34651 N4 C B1612 36.509 -37.829 -1.223 1.00 0.00 N ATOM 34652 C5 C B1612 35.241 -35.821 -0.970 1.00 0.00 C ATOM 34653 C6 C B1612 34.057 -35.284 -0.576 1.00 0.00 C ATOM 34654 P G B1613 32.851 -33.589 4.747 1.00 0.00 P ATOM 34655 O1P G B1613 32.771 -34.895 5.440 1.00 0.00 O ATOM 34656 O2P G B1613 32.661 -32.397 5.596 1.00 0.00 O ATOM 34657 O5* G B1613 34.524 -33.469 3.912 1.00 0.00 O ATOM 34658 C5* G B1613 35.812 -32.899 4.425 1.00 0.00 C ATOM 34659 C4* G B1613 37.345 -33.504 4.181 1.00 0.00 C ATOM 34660 O4* G B1613 37.689 -34.821 4.710 1.00 0.00 O ATOM 34661 C3* G B1613 38.026 -33.470 2.814 1.00 0.00 C ATOM 34662 O3* G B1613 38.051 -31.997 2.317 1.00 0.00 O ATOM 34663 C2* G B1613 39.316 -34.239 3.081 1.00 0.00 C ATOM 34664 O2* G B1613 40.246 -33.438 3.788 1.00 0.00 O ATOM 34665 C1* G B1613 38.836 -35.319 4.047 1.00 0.00 C ATOM 34666 N9 G B1613 38.417 -36.846 3.288 1.00 0.00 N ATOM 34667 C8 G B1613 37.199 -37.272 2.803 1.00 0.00 C ATOM 34668 N7 G B1613 37.204 -38.500 2.347 1.00 0.00 N ATOM 34669 C5 G B1613 38.525 -38.917 2.540 1.00 0.00 C ATOM 34670 C6 G B1613 39.141 -40.157 2.241 1.00 0.00 C ATOM 34671 O6 G B1613 38.648 -41.166 1.734 1.00 0.00 O ATOM 34672 N1 G B1613 40.496 -40.156 2.604 1.00 0.00 N ATOM 34673 C2 G B1613 41.164 -39.092 3.177 1.00 0.00 C ATOM 34674 N2 G B1613 42.460 -39.287 3.448 1.00 0.00 N ATOM 34675 N3 G B1613 40.583 -37.931 3.458 1.00 0.00 N ATOM 34676 C4 G B1613 39.268 -37.915 3.117 1.00 0.00 C ATOM 34677 P A B1614 39.162 -31.103 1.127 1.00 0.00 P ATOM 34678 O1P A B1614 39.610 -29.847 1.766 1.00 0.00 O ATOM 34679 O2P A B1614 38.482 -30.956 -0.178 1.00 0.00 O ATOM 34680 O5* A B1614 40.573 -32.263 0.927 1.00 0.00 O ATOM 34681 C5* A B1614 41.410 -32.337 -0.269 1.00 0.00 C ATOM 34682 C4* A B1614 42.570 -31.200 -0.479 1.00 0.00 C ATOM 34683 O4* A B1614 42.241 -29.779 -0.462 1.00 0.00 O ATOM 34684 C3* A B1614 43.916 -31.274 0.242 1.00 0.00 C ATOM 34685 O3* A B1614 44.612 -32.482 0.793 1.00 0.00 O ATOM 34686 C2* A B1614 44.597 -29.990 -0.218 1.00 0.00 C ATOM 34687 O2* A B1614 45.074 -30.120 -1.549 1.00 0.00 O ATOM 34688 C1* A B1614 43.423 -29.016 -0.264 1.00 0.00 C ATOM 34689 N9 A B1614 43.227 -28.083 1.133 1.00 0.00 N ATOM 34690 C8 A B1614 42.062 -27.771 1.795 1.00 0.00 C ATOM 34691 N7 A B1614 42.247 -27.188 2.940 1.00 0.00 N ATOM 34692 C5 A B1614 43.628 -27.108 3.061 1.00 0.00 C ATOM 34693 C6 A B1614 44.465 -26.590 4.060 1.00 0.00 C ATOM 34694 N6 A B1614 44.011 -26.028 5.187 1.00 0.00 N ATOM 34695 N1 A B1614 45.792 -26.668 3.857 1.00 0.00 N ATOM 34696 C2 A B1614 46.240 -27.227 2.732 1.00 0.00 C ATOM 34697 N3 A B1614 45.557 -27.744 1.733 1.00 0.00 N ATOM 34698 C4 A B1614 44.229 -27.647 1.962 1.00 0.00 C ATOM 34699 P C B1615 45.051 -32.214 2.549 1.00 0.00 P ATOM 34700 O1P C B1615 44.403 -33.250 3.384 1.00 0.00 O ATOM 34701 O2P C B1615 44.884 -30.819 3.011 1.00 0.00 O ATOM 34702 O5* C B1615 46.789 -32.558 2.158 1.00 0.00 O ATOM 34703 C5* C B1615 47.944 -33.208 1.598 1.00 0.00 C ATOM 34704 C4* C B1615 48.059 -34.766 2.083 1.00 0.00 C ATOM 34705 O4* C B1615 47.614 -34.983 3.450 1.00 0.00 O ATOM 34706 C3* C B1615 47.389 -35.888 1.291 1.00 0.00 C ATOM 34707 O3* C B1615 47.999 -36.136 -0.098 1.00 0.00 O ATOM 34708 C2* C B1615 47.430 -37.048 2.283 1.00 0.00 C ATOM 34709 O2* C B1615 48.733 -37.602 2.358 1.00 0.00 O ATOM 34710 C1* C B1615 47.180 -36.327 3.604 1.00 0.00 C ATOM 34711 N1 C B1615 45.550 -36.310 4.107 1.00 0.00 N ATOM 34712 C2 C B1615 44.797 -37.469 3.913 1.00 0.00 C ATOM 34713 O2 C B1615 45.329 -38.444 3.374 1.00 0.00 O ATOM 34714 N3 C B1615 43.504 -37.477 4.319 1.00 0.00 N ATOM 34715 C4 C B1615 42.960 -36.397 4.899 1.00 0.00 C ATOM 34716 N4 C B1615 41.693 -36.459 5.286 1.00 0.00 N ATOM 34717 C5 C B1615 43.721 -35.202 5.107 1.00 0.00 C ATOM 34718 C6 C B1615 45.009 -35.209 4.688 1.00 0.00 C ATOM 34719 P A B1616 47.247 -37.480 -1.087 1.00 0.00 P ATOM 34720 O1P A B1616 48.038 -37.746 -2.308 1.00 0.00 O ATOM 34721 O2P A B1616 45.791 -37.273 -1.290 1.00 0.00 O ATOM 34722 O5* A B1616 47.569 -38.714 0.211 1.00 0.00 O ATOM 34723 C5* A B1616 47.874 -40.060 0.567 1.00 0.00 C ATOM 34724 C4* A B1616 47.236 -40.621 1.951 1.00 0.00 C ATOM 34725 O4* A B1616 47.468 -40.101 3.288 1.00 0.00 O ATOM 34726 C3* A B1616 46.542 -41.963 2.193 1.00 0.00 C ATOM 34727 O3* A B1616 46.659 -42.946 1.012 1.00 0.00 O ATOM 34728 C2* A B1616 47.241 -42.462 3.458 1.00 0.00 C ATOM 34729 O2* A B1616 48.535 -42.953 3.156 1.00 0.00 O ATOM 34730 C1* A B1616 47.432 -41.159 4.235 1.00 0.00 C ATOM 34731 N9 A B1616 46.218 -40.825 5.360 1.00 0.00 N ATOM 34732 C8 A B1616 45.503 -39.661 5.527 1.00 0.00 C ATOM 34733 N7 A B1616 44.511 -39.761 6.357 1.00 0.00 N ATOM 34734 C5 A B1616 44.563 -41.085 6.776 1.00 0.00 C ATOM 34735 C6 A B1616 43.770 -41.827 7.666 1.00 0.00 C ATOM 34736 N6 A B1616 42.723 -41.313 8.329 1.00 0.00 N ATOM 34737 N1 A B1616 44.098 -43.118 7.855 1.00 0.00 N ATOM 34738 C2 A B1616 45.141 -43.621 7.196 1.00 0.00 C ATOM 34739 N3 A B1616 45.949 -43.030 6.344 1.00 0.00 N ATOM 34740 C4 A B1616 45.597 -41.736 6.171 1.00 0.00 C ATOM 34741 P C B1617 45.635 -42.639 -0.462 1.00 0.00 P ATOM 34742 O1P C B1617 46.448 -42.384 -1.675 1.00 0.00 O ATOM 34743 O2P C B1617 44.539 -41.676 -0.211 1.00 0.00 O ATOM 34744 O5* C B1617 45.096 -44.372 -0.394 1.00 0.00 O ATOM 34745 C5* C B1617 45.752 -45.584 0.016 1.00 0.00 C ATOM 34746 C4* C B1617 45.239 -46.148 1.451 1.00 0.00 C ATOM 34747 O4* C B1617 45.373 -45.287 2.618 1.00 0.00 O ATOM 34748 C3* C B1617 43.859 -46.783 1.621 1.00 0.00 C ATOM 34749 O3* C B1617 43.722 -48.071 0.791 1.00 0.00 O ATOM 34750 C2* C B1617 43.768 -46.966 3.134 1.00 0.00 C ATOM 34751 O2* C B1617 44.550 -48.072 3.552 1.00 0.00 O ATOM 34752 C1* C B1617 44.478 -45.708 3.635 1.00 0.00 C ATOM 34753 N1 C B1617 43.441 -44.407 4.009 1.00 0.00 N ATOM 34754 C2 C B1617 42.585 -44.551 5.099 1.00 0.00 C ATOM 34755 O2 C B1617 42.591 -45.618 5.728 1.00 0.00 O ATOM 34756 N3 C B1617 41.776 -43.514 5.433 1.00 0.00 N ATOM 34757 C4 C B1617 41.801 -42.374 4.730 1.00 0.00 C ATOM 34758 N4 C B1617 40.991 -41.395 5.097 1.00 0.00 N ATOM 34759 C5 C B1617 42.674 -42.208 3.605 1.00 0.00 C ATOM 34760 C6 C B1617 43.470 -43.257 3.288 1.00 0.00 C HETATM34761 P 1MA B1618 42.701 -48.002 -0.713 1.00 0.00 P HETATM34762 O1P 1MA B1618 42.181 -46.654 -1.021 1.00 0.00 O HETATM34763 O2P 1MA B1618 43.339 -48.720 -1.837 1.00 0.00 O HETATM34764 O5* 1MA B1618 41.496 -49.033 0.164 1.00 0.00 O HETATM34765 C5* 1MA B1618 41.325 -49.050 1.593 1.00 0.00 C HETATM34766 C4* 1MA B1618 39.833 -48.628 2.012 1.00 0.00 C HETATM34767 O4* 1MA B1618 39.531 -47.915 3.247 1.00 0.00 O HETATM34768 C3* 1MA B1618 38.766 -48.132 1.032 1.00 0.00 C HETATM34769 O3* 1MA B1618 38.693 -49.096 -0.170 1.00 0.00 O HETATM34770 C2* 1MA B1618 37.546 -47.978 1.938 1.00 0.00 C HETATM34771 O2* 1MA B1618 36.978 -49.240 2.234 1.00 0.00 O HETATM34772 C1* 1MA B1618 38.184 -47.465 3.226 1.00 0.00 C HETATM34773 N9 1MA B1618 38.182 -45.572 3.413 1.00 0.00 N HETATM34774 C8 1MA B1618 39.229 -44.733 3.085 1.00 0.00 C HETATM34775 N7 1MA B1618 39.036 -43.497 3.433 1.00 0.00 N HETATM34776 C5 1MA B1618 37.785 -43.505 4.035 1.00 0.00 C HETATM34777 C6 1MA B1618 37.008 -42.493 4.615 1.00 0.00 C HETATM34778 N6 1MA B1618 37.399 -41.209 4.694 1.00 0.00 N HETATM34779 N1 1MA B1618 35.811 -42.843 5.117 1.00 0.00 N HETATM34780 CM1 1MA B1618 34.957 -41.879 5.737 1.00 0.00 C HETATM34781 C2 1MA B1618 35.425 -44.113 5.036 1.00 0.00 C HETATM34782 N3 1MA B1618 36.064 -45.141 4.516 1.00 0.00 N HETATM34783 C4 1MA B1618 37.260 -44.763 4.021 1.00 0.00 C ATOM 34784 P G B1619 38.411 -48.591 -1.904 1.00 0.00 P ATOM 34785 O1P G B1619 38.314 -49.847 -2.683 1.00 0.00 O ATOM 34786 O2P G B1619 39.241 -47.521 -2.507 1.00 0.00 O ATOM 34787 O5* G B1619 36.940 -48.028 -1.600 1.00 0.00 O ATOM 34788 C5* G B1619 35.992 -48.877 -0.932 1.00 0.00 C ATOM 34789 C4* G B1619 34.720 -48.108 -0.640 1.00 0.00 C ATOM 34790 O4* G B1619 35.011 -47.089 0.361 1.00 0.00 O ATOM 34791 C3* G B1619 34.133 -47.321 -1.812 1.00 0.00 C ATOM 34792 O3* G B1619 33.335 -48.128 -2.619 1.00 0.00 O ATOM 34793 C2* G B1619 33.340 -46.229 -1.095 1.00 0.00 C ATOM 34794 O2* G B1619 32.128 -46.748 -0.577 1.00 0.00 O ATOM 34795 C1* G B1619 34.240 -45.924 0.098 1.00 0.00 C ATOM 34796 N9 G B1619 35.178 -44.794 -0.132 1.00 0.00 N ATOM 34797 C8 G B1619 36.538 -44.822 -0.362 1.00 0.00 C ATOM 34798 N7 G B1619 37.075 -43.636 -0.526 1.00 0.00 N ATOM 34799 C5 G B1619 35.995 -42.760 -0.400 1.00 0.00 C ATOM 34800 C6 G B1619 35.950 -41.347 -0.485 1.00 0.00 C ATOM 34801 O6 G B1619 36.869 -40.558 -0.689 1.00 0.00 O ATOM 34802 N1 G B1619 34.650 -40.864 -0.296 1.00 0.00 N ATOM 34803 C2 G B1619 33.537 -41.644 -0.057 1.00 0.00 C ATOM 34804 N2 G B1619 32.383 -40.990 0.098 1.00 0.00 N ATOM 34805 N3 G B1619 33.579 -42.971 0.022 1.00 0.00 N ATOM 34806 C4 G B1619 34.834 -43.458 -0.161 1.00 0.00 C ATOM 34807 P G B1620 33.296 -47.833 -4.226 1.00 0.00 P ATOM 34808 O1P G B1620 32.707 -48.987 -4.943 1.00 0.00 O ATOM 34809 O2P G B1620 34.636 -47.408 -4.681 1.00 0.00 O ATOM 34810 O5* G B1620 32.288 -46.591 -4.278 1.00 0.00 O ATOM 34811 C5* G B1620 30.944 -46.764 -3.788 1.00 0.00 C ATOM 34812 C4* G B1620 30.207 -45.438 -3.819 1.00 0.00 C ATOM 34813 O4* G B1620 30.806 -44.547 -2.831 1.00 0.00 O ATOM 34814 C3* G B1620 30.302 -44.650 -5.128 1.00 0.00 C ATOM 34815 O3* G B1620 29.349 -45.080 -6.049 1.00 0.00 O ATOM 34816 C2* G B1620 30.064 -43.217 -4.659 1.00 0.00 C ATOM 34817 O2* G B1620 28.690 -43.000 -4.392 1.00 0.00 O ATOM 34818 C1* G B1620 30.783 -43.212 -3.313 1.00 0.00 C ATOM 34819 N9 G B1620 32.190 -42.727 -3.388 1.00 0.00 N ATOM 34820 C8 G B1620 33.362 -43.447 -3.313 1.00 0.00 C ATOM 34821 N7 G B1620 34.445 -42.710 -3.416 1.00 0.00 N ATOM 34822 C5 G B1620 33.953 -41.416 -3.572 1.00 0.00 C ATOM 34823 C6 G B1620 34.646 -40.187 -3.730 1.00 0.00 C ATOM 34824 O6 G B1620 35.856 -39.985 -3.769 1.00 0.00 O ATOM 34825 N1 G B1620 33.757 -39.110 -3.852 1.00 0.00 N ATOM 34826 C2 G B1620 32.380 -39.207 -3.828 1.00 0.00 C ATOM 34827 N2 G B1620 31.709 -38.061 -3.961 1.00 0.00 N ATOM 34828 N3 G B1620 31.729 -40.358 -3.680 1.00 0.00 N ATOM 34829 C4 G B1620 32.579 -41.415 -3.554 1.00 0.00 C ATOM 34830 P U B1621 30.433 -45.719 -7.584 1.00 0.00 P ATOM 34831 O1P U B1621 29.243 -45.564 -8.451 1.00 0.00 O ATOM 34832 O2P U B1621 30.810 -47.109 -7.247 1.00 0.00 O ATOM 34833 O5* U B1621 31.684 -44.963 -8.240 1.00 0.00 O ATOM 34834 C5* U B1621 31.563 -43.566 -8.564 1.00 0.00 C ATOM 34835 C4* U B1621 32.894 -43.034 -9.054 1.00 0.00 C ATOM 34836 O4* U B1621 33.839 -43.034 -7.943 1.00 0.00 O ATOM 34837 C3* U B1621 33.591 -43.864 -10.131 1.00 0.00 C ATOM 34838 O3* U B1621 33.117 -43.552 -11.404 1.00 0.00 O ATOM 34839 C2* U B1621 35.055 -43.475 -9.937 1.00 0.00 C ATOM 34840 O2* U B1621 35.311 -42.193 -10.480 1.00 0.00 O ATOM 34841 C1* U B1621 35.140 -43.341 -8.419 1.00 0.00 C ATOM 34842 N1 U B1621 35.599 -44.580 -7.734 1.00 0.00 N ATOM 34843 C2 U B1621 36.931 -44.895 -7.834 1.00 0.00 C ATOM 34844 O2 U B1621 37.730 -44.209 -8.451 1.00 0.00 O ATOM 34845 N3 U B1621 37.319 -46.049 -7.185 1.00 0.00 N ATOM 34846 C4 U B1621 36.507 -46.896 -6.460 1.00 0.00 C ATOM 34847 O4 U B1621 36.970 -47.904 -5.923 1.00 0.00 O ATOM 34848 C5 U B1621 35.123 -46.485 -6.413 1.00 0.00 C ATOM 34849 C6 U B1621 34.718 -45.364 -7.036 1.00 0.00 C ATOM 34850 P G B1622 33.034 -44.742 -12.521 1.00 0.00 P ATOM 34851 O1P G B1622 32.184 -44.316 -13.655 1.00 0.00 O ATOM 34852 O2P G B1622 32.650 -46.010 -11.867 1.00 0.00 O ATOM 34853 O5* G B1622 34.564 -44.813 -12.992 1.00 0.00 O ATOM 34854 C5* G B1622 35.172 -43.647 -13.576 1.00 0.00 C ATOM 34855 C4* G B1622 36.644 -43.903 -13.828 1.00 0.00 C ATOM 34856 O4* G B1622 37.327 -44.020 -12.545 1.00 0.00 O ATOM 34857 C3* G B1622 36.981 -45.206 -14.548 1.00 0.00 C ATOM 34858 O3* G B1622 36.876 -45.072 -15.929 1.00 0.00 O ATOM 34859 C2* G B1622 38.416 -45.464 -14.089 1.00 0.00 C ATOM 34860 O2* G B1622 39.320 -44.619 -14.776 1.00 0.00 O ATOM 34861 C1* G B1622 38.367 -44.982 -12.642 1.00 0.00 C ATOM 34862 N9 G B1622 38.084 -46.064 -11.659 1.00 0.00 N ATOM 34863 C8 G B1622 36.925 -46.326 -10.959 1.00 0.00 C ATOM 34864 N7 G B1622 37.003 -47.366 -10.166 1.00 0.00 N ATOM 34865 C5 G B1622 38.308 -47.824 -10.352 1.00 0.00 C ATOM 34866 C6 G B1622 38.983 -48.927 -9.759 1.00 0.00 C ATOM 34867 O6 G B1622 38.562 -49.736 -8.937 1.00 0.00 O ATOM 34868 N1 G B1622 40.298 -49.034 -10.232 1.00 0.00 N ATOM 34869 C2 G B1622 40.886 -48.190 -11.153 1.00 0.00 C ATOM 34870 N2 G B1622 42.150 -48.461 -11.474 1.00 0.00 N ATOM 34871 N3 G B1622 40.252 -47.160 -11.708 1.00 0.00 N ATOM 34872 C4 G B1622 38.975 -47.039 -11.261 1.00 0.00 C ATOM 34873 P G B1623 36.373 -46.354 -16.808 1.00 0.00 P ATOM 34874 O1P G B1623 35.976 -45.917 -18.168 1.00 0.00 O ATOM 34875 O2P G B1623 35.345 -47.101 -16.047 1.00 0.00 O ATOM 34876 O5* G B1623 37.721 -47.212 -16.889 1.00 0.00 O ATOM 34877 C5* G B1623 38.881 -46.631 -17.511 1.00 0.00 C ATOM 34878 C4* G B1623 40.069 -47.565 -17.362 1.00 0.00 C ATOM 34879 O4* G B1623 40.446 -47.625 -15.955 1.00 0.00 O ATOM 34880 C3* G B1623 39.821 -49.024 -17.739 1.00 0.00 C ATOM 34881 O3* G B1623 39.964 -49.229 -19.113 1.00 0.00 O ATOM 34882 C2* G B1623 40.885 -49.752 -16.922 1.00 0.00 C ATOM 34883 O2* G B1623 42.163 -49.606 -17.515 1.00 0.00 O ATOM 34884 C1* G B1623 40.898 -48.929 -15.635 1.00 0.00 C ATOM 34885 N9 G B1623 40.010 -49.474 -14.569 1.00 0.00 N ATOM 34886 C8 G B1623 38.793 -49.005 -14.128 1.00 0.00 C ATOM 34887 N7 G B1623 38.264 -49.720 -13.163 1.00 0.00 N ATOM 34888 C5 G B1623 39.196 -50.735 -12.955 1.00 0.00 C ATOM 34889 C6 G B1623 39.180 -51.819 -12.037 1.00 0.00 C ATOM 34890 O6 G B1623 38.325 -52.109 -11.206 1.00 0.00 O ATOM 34891 N1 G B1623 40.327 -52.614 -12.162 1.00 0.00 N ATOM 34892 C2 G B1623 41.357 -52.392 -13.054 1.00 0.00 C ATOM 34893 N2 G B1623 42.365 -53.267 -13.016 1.00 0.00 N ATOM 34894 N3 G B1623 41.372 -51.376 -13.916 1.00 0.00 N ATOM 34895 C4 G B1623 40.265 -50.595 -13.806 1.00 0.00 C ATOM 34896 P U B1624 39.017 -50.341 -19.840 1.00 0.00 P ATOM 34897 O1P U B1624 39.051 -50.157 -21.310 1.00 0.00 O ATOM 34898 O2P U B1624 37.676 -50.331 -19.221 1.00 0.00 O ATOM 34899 O5* U B1624 39.787 -51.692 -19.449 1.00 0.00 O ATOM 34900 C5* U B1624 41.149 -51.867 -19.877 1.00 0.00 C ATOM 34901 C4* U B1624 41.714 -53.149 -19.293 1.00 0.00 C ATOM 34902 O4* U B1624 41.838 -52.993 -17.850 1.00 0.00 O ATOM 34903 C3* U B1624 40.842 -54.394 -19.453 1.00 0.00 C ATOM 34904 O3* U B1624 41.037 -55.000 -20.694 1.00 0.00 O ATOM 34905 C2* U B1624 41.315 -55.266 -18.292 1.00 0.00 C ATOM 34906 O2* U B1624 42.569 -55.860 -18.586 1.00 0.00 O ATOM 34907 C1* U B1624 41.562 -54.228 -17.207 1.00 0.00 C ATOM 34908 N1 U B1624 40.399 -54.021 -16.299 1.00 0.00 N ATOM 34909 C2 U B1624 40.145 -55.003 -15.373 1.00 0.00 C ATOM 34910 O2 U B1624 40.824 -56.017 -15.277 1.00 0.00 O ATOM 34911 N3 U B1624 39.060 -54.779 -14.551 1.00 0.00 N ATOM 34912 C4 U B1624 38.228 -53.679 -14.573 1.00 0.00 C ATOM 34913 O4 U B1624 37.286 -53.589 -13.783 1.00 0.00 O ATOM 34914 C5 U B1624 38.572 -52.702 -15.579 1.00 0.00 C ATOM 34915 C6 U B1624 39.624 -52.894 -16.392 1.00 0.00 C ATOM 34916 P C B1625 39.771 -55.732 -21.415 1.00 0.00 P ATOM 34917 O1P C B1625 40.070 -55.978 -22.845 1.00 0.00 O ATOM 34918 O2P C B1625 38.535 -54.971 -21.140 1.00 0.00 O ATOM 34919 O5* C B1625 39.738 -57.123 -20.622 1.00 0.00 O ATOM 34920 C5* C B1625 40.887 -57.987 -20.683 1.00 0.00 C ATOM 34921 C4* C B1625 40.690 -59.177 -19.764 1.00 0.00 C ATOM 34922 O4* C B1625 40.698 -58.716 -18.384 1.00 0.00 O ATOM 34923 C3* C B1625 39.356 -59.908 -19.903 1.00 0.00 C ATOM 34924 O3* C B1625 39.388 -60.843 -20.936 1.00 0.00 O ATOM 34925 C2* C B1625 39.203 -60.556 -18.526 1.00 0.00 C ATOM 34926 O2* C B1625 40.041 -61.693 -18.412 1.00 0.00 O ATOM 34927 C1* C B1625 39.784 -59.481 -17.616 1.00 0.00 C ATOM 34928 N1 C B1625 38.762 -58.555 -17.054 1.00 0.00 N ATOM 34929 C2 C B1625 37.936 -59.033 -16.040 1.00 0.00 C ATOM 34930 O2 C B1625 38.082 -60.196 -15.653 1.00 0.00 O ATOM 34931 N3 C B1625 36.998 -58.203 -15.519 1.00 0.00 N ATOM 34932 C4 C B1625 36.870 -56.949 -15.968 1.00 0.00 C ATOM 34933 N4 C B1625 35.940 -56.179 -15.422 1.00 0.00 N ATOM 34934 C5 C B1625 37.709 -56.435 -17.005 1.00 0.00 C ATOM 34935 C6 C B1625 38.640 -57.281 -17.518 1.00 0.00 C ATOM 34936 P A B1626 38.291 -62.382 -21.171 1.00 0.00 P ATOM 34937 O1P A B1626 37.050 -62.192 -20.394 1.00 0.00 O ATOM 34938 O2P A B1626 39.107 -63.563 -20.816 1.00 0.00 O ATOM 34939 O5* A B1626 37.866 -62.660 -23.004 1.00 0.00 O ATOM 34940 C5* A B1626 36.998 -63.450 -24.006 1.00 0.00 C ATOM 34941 C4* A B1626 37.603 -64.486 -25.225 1.00 0.00 C ATOM 34942 O4* A B1626 39.001 -64.684 -24.875 1.00 0.00 O ATOM 34943 C3* A B1626 37.133 -65.873 -25.668 1.00 0.00 C ATOM 34944 O3* A B1626 35.907 -65.589 -26.914 1.00 0.00 O ATOM 34945 C2* A B1626 38.379 -66.424 -26.372 1.00 0.00 C ATOM 34946 O2* A B1626 38.523 -65.839 -27.656 1.00 0.00 O ATOM 34947 C1* A B1626 39.495 -65.857 -25.498 1.00 0.00 C ATOM 34948 N9 A B1626 40.034 -66.871 -24.335 1.00 0.00 N ATOM 34949 C8 A B1626 40.598 -66.550 -23.119 1.00 0.00 C ATOM 34950 N7 A B1626 41.145 -67.556 -22.508 1.00 0.00 N ATOM 34951 C5 A B1626 40.936 -68.620 -23.368 1.00 0.00 C ATOM 34952 C6 A B1626 41.287 -69.982 -23.301 1.00 0.00 C ATOM 34953 N6 A B1626 41.947 -70.523 -22.264 1.00 0.00 N ATOM 34954 N1 A B1626 40.926 -70.767 -24.330 1.00 0.00 N ATOM 34955 C2 A B1626 40.269 -70.226 -25.352 1.00 0.00 C ATOM 34956 N3 A B1626 39.890 -68.977 -25.534 1.00 0.00 N ATOM 34957 C4 A B1626 40.261 -68.213 -24.483 1.00 0.00 C ATOM 34958 P G B1627 36.009 -65.721 -28.861 1.00 0.00 P ATOM 34959 O1P G B1627 35.216 -65.453 -30.082 1.00 0.00 O ATOM 34960 O2P G B1627 36.463 -67.119 -28.681 1.00 0.00 O ATOM 34961 O5* G B1627 37.262 -64.730 -28.800 1.00 0.00 O ATOM 34962 C5* G B1627 37.437 -63.891 -27.644 1.00 0.00 C ATOM 34963 C4* G B1627 38.745 -63.134 -27.746 1.00 0.00 C ATOM 34964 O4* G B1627 39.847 -64.078 -27.632 1.00 0.00 O ATOM 34965 C3* G B1627 39.003 -62.420 -29.074 1.00 0.00 C ATOM 34966 O3* G B1627 38.394 -61.170 -29.109 1.00 0.00 O ATOM 34967 C2* G B1627 40.527 -62.336 -29.100 1.00 0.00 C ATOM 34968 O2* G B1627 40.990 -61.317 -28.233 1.00 0.00 O ATOM 34969 C1* G B1627 40.919 -63.666 -28.464 1.00 0.00 C ATOM 34970 N9 G B1627 41.175 -64.751 -29.454 1.00 0.00 N ATOM 34971 C8 G B1627 40.395 -65.840 -29.773 1.00 0.00 C ATOM 34972 N7 G B1627 40.910 -66.614 -30.699 1.00 0.00 N ATOM 34973 C5 G B1627 42.118 -65.994 -31.015 1.00 0.00 C ATOM 34974 C6 G B1627 43.119 -66.363 -31.949 1.00 0.00 C ATOM 34975 O6 G B1627 43.147 -67.331 -32.704 1.00 0.00 O ATOM 34976 N1 G B1627 44.182 -65.450 -31.949 1.00 0.00 N ATOM 34977 C2 G B1627 44.267 -64.326 -31.151 1.00 0.00 C ATOM 34978 N2 G B1627 45.363 -63.578 -31.301 1.00 0.00 N ATOM 34979 N3 G B1627 43.326 -63.980 -30.275 1.00 0.00 N ATOM 34980 C4 G B1627 42.288 -64.855 -30.262 1.00 0.00 C ATOM 34981 P G B1628 37.818 -60.618 -30.534 1.00 0.00 P ATOM 34982 O1P G B1628 36.904 -59.477 -30.307 1.00 0.00 O ATOM 34983 O2P G B1628 37.257 -61.750 -31.306 1.00 0.00 O ATOM 34984 O5* G B1628 39.166 -60.104 -31.226 1.00 0.00 O ATOM 34985 C5* G B1628 39.925 -59.063 -30.583 1.00 0.00 C ATOM 34986 C4* G B1628 41.216 -58.823 -31.340 1.00 0.00 C ATOM 34987 O4* G B1628 42.073 -59.993 -31.195 1.00 0.00 O ATOM 34988 C3* G B1628 41.081 -58.653 -32.855 1.00 0.00 C ATOM 34989 O3* G B1628 40.759 -57.342 -33.195 1.00 0.00 O ATOM 34990 C2* G B1628 42.466 -59.069 -33.349 1.00 0.00 C ATOM 34991 O2* G B1628 43.411 -58.038 -33.116 1.00 0.00 O ATOM 34992 C1* G B1628 42.804 -60.208 -32.392 1.00 0.00 C ATOM 34993 N9 G B1628 42.448 -61.556 -32.913 1.00 0.00 N ATOM 34994 C8 G B1628 41.410 -62.384 -32.547 1.00 0.00 C ATOM 34995 N7 G B1628 41.374 -63.518 -33.209 1.00 0.00 N ATOM 34996 C5 G B1628 42.465 -63.431 -34.074 1.00 0.00 C ATOM 34997 C6 G B1628 42.942 -64.356 -35.037 1.00 0.00 C ATOM 34998 O6 G B1628 42.491 -65.460 -35.332 1.00 0.00 O ATOM 34999 N1 G B1628 44.079 -63.869 -35.695 1.00 0.00 N ATOM 35000 C2 G B1628 44.679 -62.649 -35.454 1.00 0.00 C ATOM 35001 N2 G B1628 45.756 -62.369 -36.189 1.00 0.00 N ATOM 35002 N3 G B1628 44.230 -61.781 -34.549 1.00 0.00 N ATOM 35003 C4 G B1628 43.126 -62.238 -33.901 1.00 0.00 C ATOM 35004 P U B1629 39.802 -57.078 -34.490 1.00 0.00 P ATOM 35005 O1P U B1629 39.284 -55.692 -34.473 1.00 0.00 O ATOM 35006 O2P U B1629 38.780 -58.146 -34.573 1.00 0.00 O ATOM 35007 O5* U B1629 40.857 -57.246 -35.683 1.00 0.00 O ATOM 35008 C5* U B1629 41.988 -56.360 -35.740 1.00 0.00 C ATOM 35009 C4* U B1629 42.915 -56.775 -36.867 1.00 0.00 C ATOM 35010 O4* U B1629 43.517 -58.056 -36.534 1.00 0.00 O ATOM 35011 C3* U B1629 42.247 -57.021 -38.223 1.00 0.00 C ATOM 35012 O3* U B1629 42.081 -55.838 -38.933 1.00 0.00 O ATOM 35013 C2* U B1629 43.228 -57.979 -38.892 1.00 0.00 C ATOM 35014 O2* U B1629 44.374 -57.285 -39.356 1.00 0.00 O ATOM 35015 C1* U B1629 43.681 -58.835 -37.711 1.00 0.00 C ATOM 35016 N1 U B1629 42.897 -60.091 -37.545 1.00 0.00 N ATOM 35017 C2 U B1629 43.144 -61.104 -38.442 1.00 0.00 C ATOM 35018 O2 U B1629 43.958 -61.008 -39.343 1.00 0.00 O ATOM 35019 N3 U B1629 42.401 -62.251 -38.257 1.00 0.00 N ATOM 35020 C4 U B1629 41.454 -62.466 -37.278 1.00 0.00 C ATOM 35021 O4 U B1629 40.850 -63.538 -37.213 1.00 0.00 O ATOM 35022 C5 U B1629 41.265 -61.346 -36.384 1.00 0.00 C ATOM 35023 C6 U B1629 41.975 -60.219 -36.540 1.00 0.00 C ATOM 35024 P A B1630 40.770 -55.679 -39.896 1.00 0.00 P ATOM 35025 O1P A B1630 40.577 -54.257 -40.265 1.00 0.00 O ATOM 35026 O2P A B1630 39.609 -56.342 -39.261 1.00 0.00 O ATOM 35027 O5* A B1630 41.238 -56.513 -41.181 1.00 0.00 O ATOM 35028 C5* A B1630 42.413 -56.089 -41.899 1.00 0.00 C ATOM 35029 C4* A B1630 42.735 -57.086 -42.990 1.00 0.00 C ATOM 35030 O4* A B1630 43.160 -58.337 -42.376 1.00 0.00 O ATOM 35031 C3* A B1630 41.569 -57.495 -43.888 1.00 0.00 C ATOM 35032 O3* A B1630 41.376 -56.582 -44.926 1.00 0.00 O ATOM 35033 C2* A B1630 42.018 -58.867 -44.391 1.00 0.00 C ATOM 35034 O2* A B1630 43.006 -58.737 -45.394 1.00 0.00 O ATOM 35035 C1* A B1630 42.710 -59.432 -43.156 1.00 0.00 C ATOM 35036 N9 A B1630 41.820 -60.271 -42.301 1.00 0.00 N ATOM 35037 C8 A B1630 41.254 -59.969 -41.082 1.00 0.00 C ATOM 35038 N7 A B1630 40.523 -60.923 -40.592 1.00 0.00 N ATOM 35039 C5 A B1630 40.605 -61.931 -41.542 1.00 0.00 C ATOM 35040 C6 A B1630 40.042 -63.214 -41.611 1.00 0.00 C ATOM 35041 N6 A B1630 39.249 -63.727 -40.660 1.00 0.00 N ATOM 35042 N1 A B1630 40.326 -63.958 -42.696 1.00 0.00 N ATOM 35043 C2 A B1630 41.114 -63.444 -43.639 1.00 0.00 C ATOM 35044 N3 A B1630 41.694 -62.265 -43.684 1.00 0.00 N ATOM 35045 C4 A B1630 41.392 -61.540 -42.586 1.00 0.00 C ATOM 35046 P G B1631 41.551 -54.831 -44.489 1.00 0.00 P ATOM 35047 O1P G B1631 41.901 -54.065 -45.704 1.00 0.00 O ATOM 35048 O2P G B1631 42.212 -54.397 -43.240 1.00 0.00 O ATOM 35049 O5* G B1631 39.838 -55.222 -44.176 1.00 0.00 O ATOM 35050 C5* G B1631 39.376 -56.291 -43.320 1.00 0.00 C ATOM 35051 C4* G B1631 38.035 -56.844 -44.000 1.00 0.00 C ATOM 35052 O4* G B1631 38.183 -56.937 -45.447 1.00 0.00 O ATOM 35053 C3* G B1631 37.179 -58.059 -43.636 1.00 0.00 C ATOM 35054 O3* G B1631 36.401 -58.083 -42.296 1.00 0.00 O ATOM 35055 C2* G B1631 36.233 -58.147 -44.832 1.00 0.00 C ATOM 35056 O2* G B1631 35.223 -57.155 -44.750 1.00 0.00 O ATOM 35057 C1* G B1631 37.152 -57.748 -45.984 1.00 0.00 C ATOM 35058 N9 G B1631 37.870 -59.055 -46.805 1.00 0.00 N ATOM 35059 C8 G B1631 39.185 -59.459 -46.812 1.00 0.00 C ATOM 35060 N7 G B1631 39.436 -60.453 -47.633 1.00 0.00 N ATOM 35061 C5 G B1631 38.195 -60.728 -48.209 1.00 0.00 C ATOM 35062 C6 G B1631 37.833 -61.698 -49.176 1.00 0.00 C ATOM 35063 O6 G B1631 38.540 -62.535 -49.731 1.00 0.00 O ATOM 35064 N1 G B1631 36.466 -61.630 -49.485 1.00 0.00 N ATOM 35065 C2 G B1631 35.569 -60.738 -48.925 1.00 0.00 C ATOM 35066 N2 G B1631 34.307 -60.836 -49.349 1.00 0.00 N ATOM 35067 N3 G B1631 35.911 -59.825 -48.019 1.00 0.00 N ATOM 35068 C4 G B1631 37.234 -59.878 -47.708 1.00 0.00 C ATOM 35069 P A B1632 36.994 -56.956 -40.978 1.00 0.00 P ATOM 35070 O1P A B1632 36.757 -55.518 -41.230 1.00 0.00 O ATOM 35071 O2P A B1632 38.408 -57.351 -40.790 1.00 0.00 O ATOM 35072 O5* A B1632 35.966 -57.515 -39.577 1.00 0.00 O ATOM 35073 C5* A B1632 35.223 -57.545 -38.335 1.00 0.00 C ATOM 35074 C4* A B1632 33.641 -57.822 -38.685 1.00 0.00 C ATOM 35075 O4* A B1632 33.421 -57.433 -40.072 1.00 0.00 O ATOM 35076 C3* A B1632 33.070 -59.234 -38.602 1.00 0.00 C ATOM 35077 O3* A B1632 32.694 -59.321 -37.072 1.00 0.00 O ATOM 35078 C2* A B1632 31.868 -59.154 -39.538 1.00 0.00 C ATOM 35079 O2* A B1632 30.796 -58.470 -38.915 1.00 0.00 O ATOM 35080 C1* A B1632 32.396 -58.240 -40.640 1.00 0.00 C ATOM 35081 N9 A B1632 33.035 -59.047 -41.980 1.00 0.00 N ATOM 35082 C8 A B1632 34.322 -58.992 -42.477 1.00 0.00 C ATOM 35083 N7 A B1632 34.459 -59.556 -43.639 1.00 0.00 N ATOM 35084 C5 A B1632 33.190 -60.020 -43.942 1.00 0.00 C ATOM 35085 C6 A B1632 32.671 -60.718 -45.046 1.00 0.00 C ATOM 35086 N6 A B1632 33.411 -61.084 -46.104 1.00 0.00 N ATOM 35087 N1 A B1632 31.361 -61.025 -45.027 1.00 0.00 N ATOM 35088 C2 A B1632 30.631 -60.660 -43.976 1.00 0.00 C ATOM 35089 N3 A B1632 31.001 -60.013 -42.890 1.00 0.00 N ATOM 35090 C4 A B1632 32.315 -59.716 -42.935 1.00 0.00 C ATOM 35091 P G B1633 32.085 -60.706 -36.033 1.00 0.00 P ATOM 35092 O1P G B1633 31.688 -60.199 -34.704 1.00 0.00 O ATOM 35093 O2P G B1633 33.044 -61.832 -36.037 1.00 0.00 O ATOM 35094 O5* G B1633 30.599 -61.090 -37.027 1.00 0.00 O ATOM 35095 C5* G B1633 29.508 -61.808 -36.389 1.00 0.00 C ATOM 35096 C4* G B1633 28.738 -62.905 -37.307 1.00 0.00 C ATOM 35097 O4* G B1633 28.024 -62.374 -38.463 1.00 0.00 O ATOM 35098 C3* G B1633 29.367 -64.194 -37.824 1.00 0.00 C ATOM 35099 O3* G B1633 30.084 -65.115 -36.832 1.00 0.00 O ATOM 35100 C2* G B1633 28.300 -64.715 -38.784 1.00 0.00 C ATOM 35101 O2* G B1633 27.221 -65.289 -38.072 1.00 0.00 O ATOM 35102 C1* G B1633 27.784 -63.413 -39.398 1.00 0.00 C ATOM 35103 N9 G B1633 28.526 -62.980 -40.892 1.00 0.00 N ATOM 35104 C8 G B1633 29.843 -62.672 -41.152 1.00 0.00 C ATOM 35105 N7 G B1633 30.100 -62.455 -42.421 1.00 0.00 N ATOM 35106 C5 G B1633 28.866 -62.634 -43.045 1.00 0.00 C ATOM 35107 C6 G B1633 28.514 -62.530 -44.415 1.00 0.00 C ATOM 35108 O6 G B1633 29.225 -62.256 -45.377 1.00 0.00 O ATOM 35109 N1 G B1633 27.148 -62.791 -44.612 1.00 0.00 N ATOM 35110 C2 G B1633 26.248 -63.110 -43.615 1.00 0.00 C ATOM 35111 N2 G B1633 24.990 -63.324 -44.007 1.00 0.00 N ATOM 35112 N3 G B1633 26.579 -63.204 -42.332 1.00 0.00 N ATOM 35113 C4 G B1633 27.897 -62.954 -42.121 1.00 0.00 C ATOM 35114 P A B1634 29.567 -66.852 -36.469 1.00 0.00 P ATOM 35115 O1P A B1634 28.213 -66.884 -35.880 1.00 0.00 O ATOM 35116 O2P A B1634 30.627 -67.533 -35.690 1.00 0.00 O ATOM 35117 O5* A B1634 29.611 -67.474 -38.198 1.00 0.00 O ATOM 35118 C5* A B1634 29.205 -68.676 -38.902 1.00 0.00 C ATOM 35119 C4* A B1634 28.950 -68.671 -40.508 1.00 0.00 C ATOM 35120 O4* A B1634 28.643 -67.413 -41.174 1.00 0.00 O ATOM 35121 C3* A B1634 29.766 -69.445 -41.546 1.00 0.00 C ATOM 35122 O3* A B1634 31.252 -69.849 -41.474 1.00 0.00 O ATOM 35123 C2* A B1634 29.091 -69.034 -42.852 1.00 0.00 C ATOM 35124 O2* A B1634 27.863 -69.716 -43.019 1.00 0.00 O ATOM 35125 C1* A B1634 28.758 -67.572 -42.581 1.00 0.00 C ATOM 35126 N9 A B1634 29.904 -66.475 -43.145 1.00 0.00 N ATOM 35127 C8 A B1634 30.721 -65.637 -42.414 1.00 0.00 C ATOM 35128 N7 A B1634 31.371 -64.778 -43.135 1.00 0.00 N ATOM 35129 C5 A B1634 30.967 -65.049 -44.435 1.00 0.00 C ATOM 35130 C6 A B1634 31.302 -64.475 -45.667 1.00 0.00 C ATOM 35131 N6 A B1634 32.164 -63.458 -45.803 1.00 0.00 N ATOM 35132 N1 A B1634 30.722 -64.989 -46.768 1.00 0.00 N ATOM 35133 C2 A B1634 29.865 -66.003 -46.629 1.00 0.00 C ATOM 35134 N3 A B1634 29.475 -66.617 -45.533 1.00 0.00 N ATOM 35135 C4 A B1634 30.073 -66.083 -44.446 1.00 0.00 C ATOM 35136 P A B1635 32.586 -68.599 -41.450 1.00 0.00 P ATOM 35137 O1P A B1635 32.805 -68.065 -40.083 1.00 0.00 O ATOM 35138 O2P A B1635 32.534 -67.597 -42.533 1.00 0.00 O ATOM 35139 O5* A B1635 33.726 -69.947 -41.850 1.00 0.00 O ATOM 35140 C5* A B1635 33.244 -71.232 -42.296 1.00 0.00 C ATOM 35141 C4* A B1635 33.787 -71.454 -43.782 1.00 0.00 C ATOM 35142 O4* A B1635 33.537 -70.245 -44.557 1.00 0.00 O ATOM 35143 C3* A B1635 35.270 -71.741 -44.020 1.00 0.00 C ATOM 35144 O3* A B1635 35.810 -73.077 -43.477 1.00 0.00 O ATOM 35145 C2* A B1635 35.443 -71.321 -45.475 1.00 0.00 C ATOM 35146 O2* A B1635 34.906 -72.296 -46.354 1.00 0.00 O ATOM 35147 C1* A B1635 34.533 -70.101 -45.558 1.00 0.00 C ATOM 35148 N9 A B1635 35.304 -68.641 -45.322 1.00 0.00 N ATOM 35149 C8 A B1635 35.207 -67.788 -44.249 1.00 0.00 C ATOM 35150 N7 A B1635 36.055 -66.803 -44.274 1.00 0.00 N ATOM 35151 C5 A B1635 36.769 -67.008 -45.447 1.00 0.00 C ATOM 35152 C6 A B1635 37.822 -66.307 -46.051 1.00 0.00 C ATOM 35153 N6 A B1635 38.357 -65.190 -45.535 1.00 0.00 N ATOM 35154 N1 A B1635 38.299 -66.786 -47.215 1.00 0.00 N ATOM 35155 C2 A B1635 37.761 -67.893 -47.723 1.00 0.00 C ATOM 35156 N3 A B1635 36.780 -68.633 -47.254 1.00 0.00 N ATOM 35157 C4 A B1635 36.319 -68.131 -46.089 1.00 0.00 C ATOM 35158 P U B1636 37.127 -73.176 -42.186 1.00 0.00 P ATOM 35159 O1P U B1636 37.511 -74.600 -42.076 1.00 0.00 O ATOM 35160 O2P U B1636 36.892 -72.471 -40.906 1.00 0.00 O ATOM 35161 O5* U B1636 38.226 -72.387 -43.043 1.00 0.00 O ATOM 35162 C5* U B1636 38.546 -72.853 -44.366 1.00 0.00 C ATOM 35163 C4* U B1636 39.507 -71.892 -45.037 1.00 0.00 C ATOM 35164 O4* U B1636 38.818 -70.634 -45.288 1.00 0.00 O ATOM 35165 C3* U B1636 40.727 -71.486 -44.208 1.00 0.00 C ATOM 35166 O3* U B1636 41.752 -72.423 -44.313 1.00 0.00 O ATOM 35167 C2* U B1636 41.093 -70.138 -44.824 1.00 0.00 C ATOM 35168 O2* U B1636 41.748 -70.315 -46.068 1.00 0.00 O ATOM 35169 C1* U B1636 39.718 -69.551 -45.125 1.00 0.00 C ATOM 35170 N1 U B1636 39.192 -68.673 -44.044 1.00 0.00 N ATOM 35171 C2 U B1636 39.756 -67.426 -43.918 1.00 0.00 C ATOM 35172 O2 U B1636 40.652 -67.030 -44.646 1.00 0.00 O ATOM 35173 N3 U B1636 39.245 -66.642 -42.906 1.00 0.00 N ATOM 35174 C4 U B1636 38.236 -66.989 -42.028 1.00 0.00 C ATOM 35175 O4 U B1636 37.861 -66.202 -41.161 1.00 0.00 O ATOM 35176 C5 U B1636 37.708 -68.316 -42.237 1.00 0.00 C ATOM 35177 C6 U B1636 38.189 -69.102 -43.215 1.00 0.00 C ATOM 35178 P A B1637 42.712 -72.684 -43.020 1.00 0.00 P ATOM 35179 O1P A B1637 43.478 -73.938 -43.195 1.00 0.00 O ATOM 35180 O2P A B1637 41.905 -72.588 -41.781 1.00 0.00 O ATOM 35181 O5* A B1637 43.700 -71.427 -43.120 1.00 0.00 O ATOM 35182 C5* A B1637 44.516 -71.276 -44.295 1.00 0.00 C ATOM 35183 C4* A B1637 45.274 -69.965 -44.236 1.00 0.00 C ATOM 35184 O4* A B1637 44.325 -68.866 -44.351 1.00 0.00 O ATOM 35185 C3* A B1637 46.010 -69.683 -42.925 1.00 0.00 C ATOM 35186 O3* A B1637 47.263 -70.289 -42.901 1.00 0.00 O ATOM 35187 C2* A B1637 46.091 -68.157 -42.929 1.00 0.00 C ATOM 35188 O2* A B1637 47.098 -67.709 -43.822 1.00 0.00 O ATOM 35189 C1* A B1637 44.749 -67.777 -43.544 1.00 0.00 C ATOM 35190 N9 A B1637 43.685 -67.505 -42.542 1.00 0.00 N ATOM 35191 C8 A B1637 42.604 -68.284 -42.189 1.00 0.00 C ATOM 35192 N7 A B1637 41.853 -67.760 -41.270 1.00 0.00 N ATOM 35193 C5 A B1637 42.470 -66.549 -40.984 1.00 0.00 C ATOM 35194 C6 A B1637 42.161 -65.517 -40.085 1.00 0.00 C ATOM 35195 N6 A B1637 41.095 -65.542 -39.268 1.00 0.00 N ATOM 35196 N1 A B1637 42.984 -64.454 -40.054 1.00 0.00 N ATOM 35197 C2 A B1637 44.039 -64.434 -40.867 1.00 0.00 C ATOM 35198 N3 A B1637 44.429 -65.332 -41.742 1.00 0.00 N ATOM 35199 C4 A B1637 43.585 -66.389 -41.753 1.00 0.00 C ATOM 35200 P C B1638 47.843 -70.839 -41.477 1.00 0.00 P ATOM 35201 O1P C B1638 48.981 -71.754 -41.706 1.00 0.00 O ATOM 35202 O2P C B1638 46.729 -71.385 -40.671 1.00 0.00 O ATOM 35203 O5* C B1638 48.367 -69.474 -40.820 1.00 0.00 O ATOM 35204 C5* C B1638 49.396 -68.725 -41.496 1.00 0.00 C ATOM 35205 C4* C B1638 49.647 -67.421 -40.767 1.00 0.00 C ATOM 35206 O4* C B1638 48.475 -66.570 -40.909 1.00 0.00 O ATOM 35207 C3* C B1638 49.845 -67.528 -39.256 1.00 0.00 C ATOM 35208 O3* C B1638 51.163 -67.842 -38.933 1.00 0.00 O ATOM 35209 C2* C B1638 49.437 -66.135 -38.780 1.00 0.00 C ATOM 35210 O2* C B1638 50.462 -65.192 -39.049 1.00 0.00 O ATOM 35211 C1* C B1638 48.281 -65.815 -39.722 1.00 0.00 C ATOM 35212 N1 C B1638 46.944 -66.164 -39.166 1.00 0.00 N ATOM 35213 C2 C B1638 46.422 -65.344 -38.171 1.00 0.00 C ATOM 35214 O2 C B1638 47.082 -64.371 -37.790 1.00 0.00 O ATOM 35215 N3 C B1638 45.204 -65.644 -37.651 1.00 0.00 N ATOM 35216 C4 C B1638 44.517 -66.708 -38.090 1.00 0.00 C ATOM 35217 N4 C B1638 43.334 -66.957 -37.549 1.00 0.00 N ATOM 35218 C5 C B1638 45.038 -67.561 -39.113 1.00 0.00 C ATOM 35219 C6 C B1638 46.257 -67.246 -39.618 1.00 0.00 C ATOM 35220 P C B1639 51.452 -68.775 -37.626 1.00 0.00 P ATOM 35221 O1P C B1639 52.838 -69.293 -37.659 1.00 0.00 O ATOM 35222 O2P C B1639 50.388 -69.794 -37.504 1.00 0.00 O ATOM 35223 O5* C B1639 51.306 -67.697 -36.452 1.00 0.00 O ATOM 35224 C5* C B1639 52.191 -66.563 -36.431 1.00 0.00 C ATOM 35225 C4* C B1639 51.795 -65.617 -35.315 1.00 0.00 C ATOM 35226 O4* C B1639 50.507 -65.021 -35.637 1.00 0.00 O ATOM 35227 C3* C B1639 51.574 -66.258 -33.945 1.00 0.00 C ATOM 35228 O3* C B1639 52.775 -66.411 -33.250 1.00 0.00 O ATOM 35229 C2* C B1639 50.630 -65.264 -33.274 1.00 0.00 C ATOM 35230 O2* C B1639 51.332 -64.114 -32.843 1.00 0.00 O ATOM 35231 C1* C B1639 49.754 -64.837 -34.447 1.00 0.00 C ATOM 35232 N1 C B1639 48.494 -65.623 -34.574 1.00 0.00 N ATOM 35233 C2 C B1639 47.476 -65.370 -33.659 1.00 0.00 C ATOM 35234 O2 C B1639 47.656 -64.512 -32.789 1.00 0.00 O ATOM 35235 N3 C B1639 46.322 -66.079 -33.754 1.00 0.00 N ATOM 35236 C4 C B1639 46.164 -67.000 -34.712 1.00 0.00 C ATOM 35237 N4 C B1639 45.022 -67.664 -34.765 1.00 0.00 N ATOM 35238 C5 C B1639 47.201 -67.275 -35.665 1.00 0.00 C ATOM 35239 C6 C B1639 48.347 -66.560 -35.550 1.00 0.00 C ATOM 35240 P A B1640 54.200 -65.270 -32.858 1.00 0.00 P ATOM 35241 O1P A B1640 55.062 -65.154 -34.054 1.00 0.00 O ATOM 35242 O2P A B1640 54.869 -65.760 -31.629 1.00 0.00 O ATOM 35243 O5* A B1640 53.404 -63.665 -32.421 1.00 0.00 O ATOM 35244 C5* A B1640 52.711 -62.395 -32.235 1.00 0.00 C ATOM 35245 C4* A B1640 52.701 -61.713 -30.735 1.00 0.00 C ATOM 35246 O4* A B1640 53.579 -62.273 -29.717 1.00 0.00 O ATOM 35247 C3* A B1640 51.699 -60.876 -29.942 1.00 0.00 C ATOM 35248 O3* A B1640 50.410 -60.176 -30.544 1.00 0.00 O ATOM 35249 C2* A B1640 51.517 -61.709 -28.674 1.00 0.00 C ATOM 35250 O2* A B1640 50.688 -62.834 -28.923 1.00 0.00 O ATOM 35251 C1* A B1640 52.929 -62.246 -28.454 1.00 0.00 C ATOM 35252 N9 A B1640 53.868 -61.336 -27.394 1.00 0.00 N ATOM 35253 C8 A B1640 55.126 -61.617 -26.913 1.00 0.00 C ATOM 35254 N7 A B1640 55.526 -60.808 -25.980 1.00 0.00 N ATOM 35255 C5 A B1640 54.464 -59.925 -25.820 1.00 0.00 C ATOM 35256 C6 A B1640 54.262 -58.825 -24.973 1.00 0.00 C ATOM 35257 N6 A B1640 55.171 -58.401 -24.085 1.00 0.00 N ATOM 35258 N1 A B1640 53.091 -58.172 -25.077 1.00 0.00 N ATOM 35259 C2 A B1640 52.193 -58.594 -25.966 1.00 0.00 C ATOM 35260 N3 A B1640 52.267 -59.606 -26.802 1.00 0.00 N ATOM 35261 C4 A B1640 53.450 -60.245 -26.679 1.00 0.00 C ATOM 35262 P A B1641 48.677 -60.817 -30.217 1.00 0.00 P ATOM 35263 O1P A B1641 48.699 -61.588 -28.950 1.00 0.00 O ATOM 35264 O2P A B1641 48.180 -61.546 -31.401 1.00 0.00 O ATOM 35265 O5* A B1641 47.576 -59.344 -29.910 1.00 0.00 O ATOM 35266 C5* A B1641 46.244 -58.699 -29.843 1.00 0.00 C ATOM 35267 C4* A B1641 44.881 -59.365 -29.180 1.00 0.00 C ATOM 35268 O4* A B1641 44.429 -60.691 -29.576 1.00 0.00 O ATOM 35269 C3* A B1641 44.358 -59.207 -27.747 1.00 0.00 C ATOM 35270 O3* A B1641 44.665 -58.416 -26.557 1.00 0.00 O ATOM 35271 C2* A B1641 43.022 -59.939 -27.812 1.00 0.00 C ATOM 35272 O2* A B1641 42.042 -59.143 -28.466 1.00 0.00 O ATOM 35273 C1* A B1641 43.342 -61.095 -28.752 1.00 0.00 C ATOM 35274 N9 A B1641 43.774 -62.556 -27.967 1.00 0.00 N ATOM 35275 C8 A B1641 42.950 -63.588 -27.576 1.00 0.00 C ATOM 35276 N7 A B1641 43.592 -64.651 -27.184 1.00 0.00 N ATOM 35277 C5 A B1641 44.924 -64.305 -27.319 1.00 0.00 C ATOM 35278 C6 A B1641 46.117 -65.003 -27.062 1.00 0.00 C ATOM 35279 N6 A B1641 46.145 -66.260 -26.597 1.00 0.00 N ATOM 35280 N1 A B1641 47.276 -64.370 -27.308 1.00 0.00 N ATOM 35281 C2 A B1641 47.237 -63.120 -27.772 1.00 0.00 C ATOM 35282 N3 A B1641 46.192 -62.369 -28.044 1.00 0.00 N ATOM 35283 C4 A B1641 45.045 -63.029 -27.796 1.00 0.00 C ATOM 35284 P G B1642 45.729 -59.612 -25.639 1.00 0.00 P ATOM 35285 O1P G B1642 46.513 -58.725 -24.753 1.00 0.00 O ATOM 35286 O2P G B1642 46.516 -60.459 -26.561 1.00 0.00 O ATOM 35287 O5* G B1642 44.754 -60.528 -24.763 1.00 0.00 O ATOM 35288 C5* G B1642 43.332 -60.306 -24.837 1.00 0.00 C ATOM 35289 C4* G B1642 42.598 -61.358 -24.032 1.00 0.00 C ATOM 35290 O4* G B1642 42.765 -62.651 -24.683 1.00 0.00 O ATOM 35291 C3* G B1642 43.122 -61.592 -22.613 1.00 0.00 C ATOM 35292 O3* G B1642 42.582 -60.676 -21.710 1.00 0.00 O ATOM 35293 C2* G B1642 42.668 -63.024 -22.338 1.00 0.00 C ATOM 35294 O2* G B1642 41.281 -63.066 -22.050 1.00 0.00 O ATOM 35295 C1* G B1642 42.856 -63.673 -23.706 1.00 0.00 C ATOM 35296 N9 G B1642 44.175 -64.349 -23.869 1.00 0.00 N ATOM 35297 C8 G B1642 45.275 -63.947 -24.594 1.00 0.00 C ATOM 35298 N7 G B1642 46.289 -64.777 -24.532 1.00 0.00 N ATOM 35299 C5 G B1642 45.828 -65.803 -23.705 1.00 0.00 C ATOM 35300 C6 G B1642 46.478 -66.985 -23.266 1.00 0.00 C ATOM 35301 O6 G B1642 47.613 -67.379 -23.520 1.00 0.00 O ATOM 35302 N1 G B1642 45.646 -67.746 -22.435 1.00 0.00 N ATOM 35303 C2 G B1642 44.354 -67.411 -22.075 1.00 0.00 C ATOM 35304 N2 G B1642 43.727 -68.272 -21.273 1.00 0.00 N ATOM 35305 N3 G B1642 43.747 -66.301 -22.486 1.00 0.00 N ATOM 35306 C4 G B1642 44.540 -65.549 -23.295 1.00 0.00 C ATOM 35307 P G B1643 43.501 -60.172 -20.460 1.00 0.00 P ATOM 35308 O1P G B1643 42.913 -58.960 -19.848 1.00 0.00 O ATOM 35309 O2P G B1643 44.909 -60.054 -20.898 1.00 0.00 O ATOM 35310 O5* G B1643 43.349 -61.412 -19.458 1.00 0.00 O ATOM 35311 C5* G B1643 42.039 -61.762 -18.975 1.00 0.00 C ATOM 35312 C4* G B1643 42.114 -63.033 -18.151 1.00 0.00 C ATOM 35313 O4* G B1643 42.450 -64.146 -19.025 1.00 0.00 O ATOM 35314 C3* G B1643 43.201 -63.062 -17.076 1.00 0.00 C ATOM 35315 O3* G B1643 42.780 -62.445 -15.900 1.00 0.00 O ATOM 35316 C2* G B1643 43.437 -64.562 -16.904 1.00 0.00 C ATOM 35317 O2* G B1643 42.393 -65.151 -16.147 1.00 0.00 O ATOM 35318 C1* G B1643 43.283 -65.064 -18.334 1.00 0.00 C ATOM 35319 N9 G B1643 44.572 -65.166 -19.075 1.00 0.00 N ATOM 35320 C8 G B1643 45.071 -64.352 -20.071 1.00 0.00 C ATOM 35321 N7 G B1643 46.247 -64.719 -20.517 1.00 0.00 N ATOM 35322 C5 G B1643 46.551 -65.853 -19.765 1.00 0.00 C ATOM 35323 C6 G B1643 47.693 -66.692 -19.798 1.00 0.00 C ATOM 35324 O6 G B1643 48.693 -66.607 -20.506 1.00 0.00 O ATOM 35325 N1 G B1643 47.592 -67.732 -18.862 1.00 0.00 N ATOM 35326 C2 G B1643 46.524 -67.936 -18.011 1.00 0.00 C ATOM 35327 N2 G B1643 46.619 -68.986 -17.194 1.00 0.00 N ATOM 35328 N3 G B1643 45.452 -67.149 -17.983 1.00 0.00 N ATOM 35329 C4 G B1643 45.532 -66.134 -18.883 1.00 0.00 C ATOM 35330 P C B1644 43.877 -61.640 -14.998 1.00 0.00 P ATOM 35331 O1P C B1644 43.193 -60.766 -14.020 1.00 0.00 O ATOM 35332 O2P C B1644 44.848 -60.972 -15.891 1.00 0.00 O ATOM 35333 O5* C B1644 44.587 -62.853 -14.233 1.00 0.00 O ATOM 35334 C5* C B1644 43.794 -63.698 -13.380 1.00 0.00 C ATOM 35335 C4* C B1644 44.638 -64.845 -12.863 1.00 0.00 C ATOM 35336 O4* C B1644 44.972 -65.726 -13.976 1.00 0.00 O ATOM 35337 C3* C B1644 45.998 -64.464 -12.277 1.00 0.00 C ATOM 35338 O3* C B1644 45.888 -64.081 -10.939 1.00 0.00 O ATOM 35339 C2* C B1644 46.797 -65.753 -12.456 1.00 0.00 C ATOM 35340 O2* C B1644 46.423 -66.716 -11.483 1.00 0.00 O ATOM 35341 C1* C B1644 46.273 -66.255 -13.797 1.00 0.00 C ATOM 35342 N1 C B1644 47.107 -65.832 -14.958 1.00 0.00 N ATOM 35343 C2 C B1644 48.331 -66.462 -15.144 1.00 0.00 C ATOM 35344 O2 C B1644 48.677 -67.343 -14.347 1.00 0.00 O ATOM 35345 N3 C B1644 49.105 -66.089 -16.198 1.00 0.00 N ATOM 35346 C4 C B1644 48.694 -65.131 -17.040 1.00 0.00 C ATOM 35347 N4 C B1644 49.485 -64.805 -18.051 1.00 0.00 N ATOM 35348 C5 C B1644 47.437 -64.468 -16.865 1.00 0.00 C ATOM 35349 C6 C B1644 46.681 -64.856 -15.808 1.00 0.00 C ATOM 35350 P G B1645 46.890 -62.923 -10.373 1.00 0.00 P ATOM 35351 O1P G B1645 46.389 -62.401 -9.082 1.00 0.00 O ATOM 35352 O2P G B1645 47.120 -61.912 -11.429 1.00 0.00 O ATOM 35353 O5* G B1645 48.226 -63.769 -10.135 1.00 0.00 O ATOM 35354 C5* G B1645 48.198 -64.871 -9.205 1.00 0.00 C ATOM 35355 C4* G B1645 49.526 -65.605 -9.231 1.00 0.00 C ATOM 35356 O4* G B1645 49.672 -66.264 -10.521 1.00 0.00 O ATOM 35357 C3* G B1645 50.773 -64.728 -9.118 1.00 0.00 C ATOM 35358 O3* G B1645 51.076 -64.437 -7.790 1.00 0.00 O ATOM 35359 C2* G B1645 51.835 -65.597 -9.789 1.00 0.00 C ATOM 35360 O2* G B1645 52.246 -66.643 -8.925 1.00 0.00 O ATOM 35361 C1* G B1645 51.034 -66.241 -10.916 1.00 0.00 C ATOM 35362 N9 G B1645 51.124 -65.508 -12.210 1.00 0.00 N ATOM 35363 C8 G B1645 50.182 -64.716 -12.829 1.00 0.00 C ATOM 35364 N7 G B1645 50.578 -64.209 -13.972 1.00 0.00 N ATOM 35365 C5 G B1645 51.876 -64.699 -14.122 1.00 0.00 C ATOM 35366 C6 G B1645 52.818 -64.493 -15.161 1.00 0.00 C ATOM 35367 O6 G B1645 52.698 -63.827 -16.186 1.00 0.00 O ATOM 35368 N1 G B1645 54.014 -65.177 -14.912 1.00 0.00 N ATOM 35369 C2 G B1645 54.270 -65.958 -13.799 1.00 0.00 C ATOM 35370 N2 G B1645 55.476 -66.523 -13.748 1.00 0.00 N ATOM 35371 N3 G B1645 53.387 -66.147 -12.823 1.00 0.00 N ATOM 35372 C4 G B1645 52.217 -65.489 -13.049 1.00 0.00 C ATOM 35373 P C B1646 50.769 -65.653 -6.355 1.00 0.00 P ATOM 35374 O1P C B1646 52.080 -65.884 -5.713 1.00 0.00 O ATOM 35375 O2P C B1646 50.054 -66.858 -6.822 1.00 0.00 O ATOM 35376 O5* C B1646 49.644 -64.790 -5.128 1.00 0.00 O ATOM 35377 C5* C B1646 48.931 -64.991 -3.822 1.00 0.00 C ATOM 35378 C4* C B1646 48.245 -63.656 -3.107 1.00 0.00 C ATOM 35379 O4* C B1646 47.852 -62.783 -4.204 1.00 0.00 O ATOM 35380 C3* C B1646 47.077 -63.559 -2.125 1.00 0.00 C ATOM 35381 O3* C B1646 47.154 -63.858 -0.574 1.00 0.00 O ATOM 35382 C2* C B1646 46.664 -62.096 -2.263 1.00 0.00 C ATOM 35383 O2* C B1646 47.577 -61.252 -1.580 1.00 0.00 O ATOM 35384 C1* C B1646 46.874 -61.860 -3.757 1.00 0.00 C ATOM 35385 N1 C B1646 45.485 -62.056 -4.704 1.00 0.00 N ATOM 35386 C2 C B1646 44.309 -61.450 -4.267 1.00 0.00 C ATOM 35387 O2 C B1646 44.324 -60.808 -3.208 1.00 0.00 O ATOM 35388 N3 C B1646 43.186 -61.586 -5.020 1.00 0.00 N ATOM 35389 C4 C B1646 43.211 -62.287 -6.157 1.00 0.00 C ATOM 35390 N4 C B1646 42.090 -62.387 -6.858 1.00 0.00 N ATOM 35391 C5 C B1646 44.411 -62.916 -6.625 1.00 0.00 C ATOM 35392 C6 C B1646 45.519 -62.769 -5.861 1.00 0.00 C ATOM 35393 P U B1647 48.702 -63.961 0.460 1.00 0.00 P ATOM 35394 O1P U B1647 49.826 -64.189 -0.479 1.00 0.00 O ATOM 35395 O2P U B1647 48.548 -64.965 1.532 1.00 0.00 O ATOM 35396 O5* U B1647 48.853 -62.292 1.283 1.00 0.00 O ATOM 35397 C5* U B1647 49.452 -61.829 2.578 1.00 0.00 C ATOM 35398 C4* U B1647 50.129 -60.336 2.768 1.00 0.00 C ATOM 35399 O4* U B1647 49.391 -59.120 2.443 1.00 0.00 O ATOM 35400 C3* U B1647 51.373 -59.831 3.493 1.00 0.00 C ATOM 35401 O3* U B1647 52.631 -60.678 3.824 1.00 0.00 O ATOM 35402 C2* U B1647 51.671 -58.531 2.756 1.00 0.00 C ATOM 35403 O2* U B1647 52.270 -58.791 1.498 1.00 0.00 O ATOM 35404 C1* U B1647 50.266 -58.006 2.475 1.00 0.00 C ATOM 35405 N1 U B1647 49.679 -56.895 3.627 1.00 0.00 N ATOM 35406 C2 U B1647 50.228 -55.632 3.618 1.00 0.00 C ATOM 35407 O2 U B1647 51.048 -55.279 2.793 1.00 0.00 O ATOM 35408 N3 U B1647 49.785 -54.785 4.611 1.00 0.00 N ATOM 35409 C4 U B1647 48.860 -55.079 5.592 1.00 0.00 C ATOM 35410 O4 U B1647 48.540 -54.235 6.434 1.00 0.00 O ATOM 35411 C5 U B1647 48.339 -56.428 5.523 1.00 0.00 C ATOM 35412 C6 U B1647 48.753 -57.275 4.567 1.00 0.00 C ATOM 35413 P U B1648 53.114 -61.158 5.542 1.00 0.00 P ATOM 35414 O1P U B1648 51.955 -61.865 6.132 1.00 0.00 O ATOM 35415 O2P U B1648 53.768 -60.158 6.410 1.00 0.00 O ATOM 35416 O5* U B1648 54.194 -62.224 5.034 1.00 0.00 O ATOM 35417 C5* U B1648 54.497 -62.296 3.629 1.00 0.00 C ATOM 35418 C4* U B1648 55.629 -63.276 3.390 1.00 0.00 C ATOM 35419 O4* U B1648 56.852 -62.731 3.965 1.00 0.00 O ATOM 35420 C3* U B1648 55.483 -64.639 4.066 1.00 0.00 C ATOM 35421 O3* U B1648 54.707 -65.510 3.300 1.00 0.00 O ATOM 35422 C2* U B1648 56.935 -65.096 4.187 1.00 0.00 C ATOM 35423 O2* U B1648 57.428 -65.545 2.935 1.00 0.00 O ATOM 35424 C1* U B1648 57.645 -63.781 4.498 1.00 0.00 C ATOM 35425 N1 U B1648 57.826 -63.528 5.953 1.00 0.00 N ATOM 35426 C2 U B1648 58.790 -64.264 6.601 1.00 0.00 C ATOM 35427 O2 U B1648 59.480 -65.095 6.037 1.00 0.00 O ATOM 35428 N3 U B1648 58.931 -63.999 7.949 1.00 0.00 N ATOM 35429 C4 U B1648 58.205 -63.086 8.685 1.00 0.00 C ATOM 35430 O4 U B1648 58.423 -62.938 9.890 1.00 0.00 O ATOM 35431 C5 U B1648 57.218 -62.360 7.918 1.00 0.00 C ATOM 35432 C6 U B1648 57.062 -62.598 6.606 1.00 0.00 C ATOM 35433 P G B1649 53.758 -66.591 4.065 1.00 0.00 P ATOM 35434 O1P G B1649 52.761 -67.153 3.127 1.00 0.00 O ATOM 35435 O2P G B1649 53.207 -65.982 5.298 1.00 0.00 O ATOM 35436 O5* G B1649 54.830 -67.716 4.452 1.00 0.00 O ATOM 35437 C5* G B1649 55.558 -68.378 3.401 1.00 0.00 C ATOM 35438 C4* G B1649 56.600 -69.302 3.994 1.00 0.00 C ATOM 35439 O4* G B1649 57.625 -68.499 4.646 1.00 0.00 O ATOM 35440 C3* G B1649 56.109 -70.239 5.099 1.00 0.00 C ATOM 35441 O3* G B1649 55.535 -71.395 4.570 1.00 0.00 O ATOM 35442 C2* G B1649 57.396 -70.519 5.874 1.00 0.00 C ATOM 35443 O2* G B1649 58.213 -71.445 5.175 1.00 0.00 O ATOM 35444 C1* G B1649 58.098 -69.169 5.802 1.00 0.00 C ATOM 35445 N9 G B1649 57.830 -68.295 6.980 1.00 0.00 N ATOM 35446 C8 G B1649 57.031 -67.181 7.073 1.00 0.00 C ATOM 35447 N7 G B1649 57.011 -66.633 8.265 1.00 0.00 N ATOM 35448 C5 G B1649 57.859 -67.446 9.016 1.00 0.00 C ATOM 35449 C6 G B1649 58.240 -67.358 10.380 1.00 0.00 C ATOM 35450 O6 G B1649 57.896 -66.530 11.221 1.00 0.00 O ATOM 35451 N1 G B1649 59.120 -68.388 10.734 1.00 0.00 N ATOM 35452 C2 G B1649 59.577 -69.376 9.881 1.00 0.00 C ATOM 35453 N2 G B1649 60.414 -70.268 10.413 1.00 0.00 N ATOM 35454 N3 G B1649 59.219 -69.455 8.602 1.00 0.00 N ATOM 35455 C4 G B1649 58.364 -68.464 8.242 1.00 0.00 C ATOM 35456 P A B1650 54.288 -72.084 5.364 1.00 0.00 P ATOM 35457 O1P A B1650 53.592 -73.053 4.483 1.00 0.00 O ATOM 35458 O2P A B1650 53.437 -71.028 5.957 1.00 0.00 O ATOM 35459 O5* A B1650 55.066 -72.869 6.523 1.00 0.00 O ATOM 35460 C5* A B1650 56.016 -73.885 6.160 1.00 0.00 C ATOM 35461 C4* A B1650 56.720 -74.402 7.397 1.00 0.00 C ATOM 35462 O4* A B1650 57.560 -73.344 7.943 1.00 0.00 O ATOM 35463 C3* A B1650 55.812 -74.790 8.567 1.00 0.00 C ATOM 35464 O3* A B1650 55.324 -76.086 8.427 1.00 0.00 O ATOM 35465 C2* A B1650 56.747 -74.637 9.762 1.00 0.00 C ATOM 35466 O2* A B1650 57.648 -75.731 9.840 1.00 0.00 O ATOM 35467 C1* A B1650 57.567 -73.415 9.359 1.00 0.00 C ATOM 35468 N9 A B1650 57.031 -72.133 9.889 1.00 0.00 N ATOM 35469 C8 A B1650 56.357 -71.133 9.221 1.00 0.00 C ATOM 35470 N7 A B1650 56.020 -70.132 9.974 1.00 0.00 N ATOM 35471 C5 A B1650 56.494 -70.481 11.230 1.00 0.00 C ATOM 35472 C6 A B1650 56.449 -69.834 12.475 1.00 0.00 C ATOM 35473 N6 A B1650 55.875 -68.636 12.664 1.00 0.00 N ATOM 35474 N1 A B1650 57.017 -70.457 13.520 1.00 0.00 N ATOM 35475 C2 A B1650 57.585 -71.647 13.329 1.00 0.00 C ATOM 35476 N3 A B1650 57.686 -72.349 12.218 1.00 0.00 N ATOM 35477 C4 A B1650 57.109 -71.700 11.185 1.00 0.00 C ATOM 35478 P G B1651 53.824 -76.425 8.979 1.00 0.00 P ATOM 35479 O1P G B1651 53.352 -77.713 8.425 1.00 0.00 O ATOM 35480 O2P G B1651 52.942 -75.261 8.745 1.00 0.00 O ATOM 35481 O5* G B1651 54.111 -76.583 10.545 1.00 0.00 O ATOM 35482 C5* G B1651 55.023 -77.602 10.992 1.00 0.00 C ATOM 35483 C4* G B1651 55.237 -77.494 12.486 1.00 0.00 C ATOM 35484 O4* G B1651 55.962 -76.260 12.767 1.00 0.00 O ATOM 35485 C3* G B1651 53.973 -77.377 13.335 1.00 0.00 C ATOM 35486 O3* G B1651 53.424 -78.629 13.613 1.00 0.00 O ATOM 35487 C2* G B1651 54.487 -76.669 14.586 1.00 0.00 C ATOM 35488 O2* G B1651 55.203 -77.571 15.415 1.00 0.00 O ATOM 35489 C1* G B1651 55.512 -75.705 13.991 1.00 0.00 C ATOM 35490 N9 G B1651 54.966 -74.350 13.712 1.00 0.00 N ATOM 35491 C8 G B1651 54.641 -73.774 12.500 1.00 0.00 C ATOM 35492 N7 G B1651 54.177 -72.553 12.599 1.00 0.00 N ATOM 35493 C5 G B1651 54.194 -72.301 13.971 1.00 0.00 C ATOM 35494 C6 G B1651 53.804 -71.141 14.690 1.00 0.00 C ATOM 35495 O6 G B1651 53.360 -70.080 14.258 1.00 0.00 O ATOM 35496 N1 G B1651 53.985 -71.312 16.070 1.00 0.00 N ATOM 35497 C2 G B1651 54.475 -72.453 16.675 1.00 0.00 C ATOM 35498 N2 G B1651 54.571 -72.417 18.006 1.00 0.00 N ATOM 35499 N3 G B1651 54.839 -73.539 15.998 1.00 0.00 N ATOM 35500 C4 G B1651 54.671 -73.392 14.658 1.00 0.00 C ATOM 35501 P A B1652 51.647 -78.297 14.106 1.00 0.00 P ATOM 35502 O1P A B1652 51.067 -79.475 14.791 1.00 0.00 O ATOM 35503 O2P A B1652 50.922 -77.830 12.904 1.00 0.00 O ATOM 35504 O5* A B1652 51.805 -76.875 15.302 1.00 0.00 O ATOM 35505 C5* A B1652 50.850 -75.819 15.738 1.00 0.00 C ATOM 35506 C4* A B1652 51.021 -74.907 17.102 1.00 0.00 C ATOM 35507 O4* A B1652 50.838 -73.463 17.138 1.00 0.00 O ATOM 35508 C3* A B1652 51.117 -75.303 18.577 1.00 0.00 C ATOM 35509 O3* A B1652 51.389 -76.678 19.134 1.00 0.00 O ATOM 35510 C2* A B1652 51.869 -74.114 19.179 1.00 0.00 C ATOM 35511 O2* A B1652 53.245 -74.173 18.864 1.00 0.00 O ATOM 35512 C1* A B1652 51.283 -72.950 18.382 1.00 0.00 C ATOM 35513 N9 A B1652 49.973 -72.157 19.138 1.00 0.00 N ATOM 35514 C8 A B1652 48.626 -72.421 19.016 1.00 0.00 C ATOM 35515 N7 A B1652 47.863 -71.530 19.574 1.00 0.00 N ATOM 35516 C5 A B1652 48.751 -70.611 20.106 1.00 0.00 C ATOM 35517 C6 A B1652 48.567 -69.424 20.833 1.00 0.00 C ATOM 35518 N6 A B1652 47.357 -68.939 21.158 1.00 0.00 N ATOM 35519 N1 A B1652 49.665 -68.749 21.211 1.00 0.00 N ATOM 35520 C2 A B1652 50.860 -69.235 20.885 1.00 0.00 C ATOM 35521 N3 A B1652 51.159 -70.328 20.214 1.00 0.00 N ATOM 35522 C4 A B1652 50.038 -70.988 19.847 1.00 0.00 C ATOM 35523 P G B1653 50.158 -77.115 20.410 1.00 0.00 P ATOM 35524 O1P G B1653 49.163 -76.042 20.636 1.00 0.00 O ATOM 35525 O2P G B1653 50.768 -77.691 21.629 1.00 0.00 O ATOM 35526 O5* G B1653 49.547 -78.361 19.241 1.00 0.00 O ATOM 35527 C5* G B1653 49.501 -77.963 17.852 1.00 0.00 C ATOM 35528 C4* G B1653 48.280 -76.951 17.595 1.00 0.00 C ATOM 35529 O4* G B1653 48.313 -75.500 17.718 1.00 0.00 O ATOM 35530 C3* G B1653 47.057 -77.223 16.719 1.00 0.00 C ATOM 35531 O3* G B1653 47.016 -78.198 15.543 1.00 0.00 O ATOM 35532 C2* G B1653 46.086 -76.140 17.186 1.00 0.00 C ATOM 35533 O2* G B1653 45.511 -76.481 18.437 1.00 0.00 O ATOM 35534 C1* G B1653 47.024 -74.967 17.428 1.00 0.00 C ATOM 35535 N9 G B1653 47.174 -73.874 16.093 1.00 0.00 N ATOM 35536 C8 G B1653 47.842 -74.043 14.902 1.00 0.00 C ATOM 35537 N7 G B1653 47.810 -72.989 14.120 1.00 0.00 N ATOM 35538 C5 G B1653 47.069 -72.060 14.848 1.00 0.00 C ATOM 35539 C6 G B1653 46.696 -70.730 14.520 1.00 0.00 C ATOM 35540 O6 G B1653 46.951 -70.087 13.505 1.00 0.00 O ATOM 35541 N1 G B1653 45.943 -70.142 15.543 1.00 0.00 N ATOM 35542 C2 G B1653 45.594 -70.758 16.730 1.00 0.00 C ATOM 35543 N2 G B1653 44.867 -70.028 17.580 1.00 0.00 N ATOM 35544 N3 G B1653 45.941 -72.006 17.035 1.00 0.00 N ATOM 35545 C4 G B1653 46.678 -72.590 16.053 1.00 0.00 C ATOM 35546 P A B1654 47.202 -80.006 15.787 1.00 0.00 P ATOM 35547 O1P A B1654 48.452 -80.494 15.153 1.00 0.00 O ATOM 35548 O2P A B1654 45.970 -80.756 15.443 1.00 0.00 O ATOM 35549 O5* A B1654 47.319 -79.825 17.587 1.00 0.00 O ATOM 35550 C5* A B1654 46.325 -79.289 18.451 1.00 0.00 C ATOM 35551 C4* A B1654 44.765 -79.318 17.942 1.00 0.00 C ATOM 35552 O4* A B1654 43.916 -79.007 19.082 1.00 0.00 O ATOM 35553 C3* A B1654 44.132 -78.546 16.788 1.00 0.00 C ATOM 35554 O3* A B1654 44.351 -78.836 15.275 1.00 0.00 O ATOM 35555 C2* A B1654 42.643 -78.649 17.105 1.00 0.00 C ATOM 35556 O2* A B1654 42.147 -79.937 16.775 1.00 0.00 O ATOM 35557 C1* A B1654 42.647 -78.555 18.627 1.00 0.00 C ATOM 35558 N9 A B1654 42.382 -76.987 19.244 1.00 0.00 N ATOM 35559 C8 A B1654 41.987 -76.622 20.511 1.00 0.00 C ATOM 35560 N7 A B1654 42.062 -75.348 20.743 1.00 0.00 N ATOM 35561 C5 A B1654 42.543 -74.819 19.553 1.00 0.00 C ATOM 35562 C6 A B1654 42.845 -73.510 19.154 1.00 0.00 C ATOM 35563 N6 A B1654 42.703 -72.442 19.951 1.00 0.00 N ATOM 35564 N1 A B1654 43.306 -73.336 17.900 1.00 0.00 N ATOM 35565 C2 A B1654 43.444 -74.399 17.113 1.00 0.00 C ATOM 35566 N3 A B1654 43.196 -75.665 17.376 1.00 0.00 N ATOM 35567 C4 A B1654 42.741 -75.813 18.640 1.00 0.00 C ATOM 35568 P A B1655 44.639 -77.549 13.955 1.00 0.00 P ATOM 35569 O1P A B1655 45.018 -78.281 12.723 1.00 0.00 O ATOM 35570 O2P A B1655 45.579 -76.488 14.389 1.00 0.00 O ATOM 35571 O5* A B1655 42.972 -76.801 13.706 1.00 0.00 O ATOM 35572 C5* A B1655 42.490 -76.346 12.392 1.00 0.00 C ATOM 35573 C4* A B1655 41.406 -77.431 11.781 1.00 0.00 C ATOM 35574 O4* A B1655 41.457 -78.625 12.617 1.00 0.00 O ATOM 35575 C3* A B1655 39.925 -77.055 11.763 1.00 0.00 C ATOM 35576 O3* A B1655 39.547 -76.041 10.630 1.00 0.00 O ATOM 35577 C2* A B1655 39.247 -78.423 11.760 1.00 0.00 C ATOM 35578 O2* A B1655 39.319 -79.018 10.477 1.00 0.00 O ATOM 35579 C1* A B1655 40.170 -79.223 12.674 1.00 0.00 C ATOM 35580 N9 A B1655 39.676 -79.283 14.310 1.00 0.00 N ATOM 35581 C8 A B1655 38.723 -80.089 14.885 1.00 0.00 C ATOM 35582 N7 A B1655 38.445 -79.786 16.115 1.00 0.00 N ATOM 35583 C5 A B1655 39.275 -78.698 16.388 1.00 0.00 C ATOM 35584 C6 A B1655 39.455 -77.911 17.533 1.00 0.00 C ATOM 35585 N6 A B1655 38.780 -78.103 18.676 1.00 0.00 N ATOM 35586 N1 A B1655 40.355 -76.914 17.462 1.00 0.00 N ATOM 35587 C2 A B1655 41.022 -76.732 16.320 1.00 0.00 C ATOM 35588 N3 A B1655 40.931 -77.398 15.191 1.00 0.00 N ATOM 35589 C4 A B1655 40.024 -78.394 15.291 1.00 0.00 C ATOM 35590 P C B1656 37.808 -75.506 10.466 1.00 0.00 P ATOM 35591 O1P C B1656 36.956 -76.581 9.912 1.00 0.00 O ATOM 35592 O2P C B1656 37.577 -74.152 9.913 1.00 0.00 O ATOM 35593 O5* C B1656 37.664 -75.470 12.058 1.00 0.00 O ATOM 35594 C5* C B1656 37.505 -76.708 12.777 1.00 0.00 C ATOM 35595 C4* C B1656 37.517 -76.453 14.268 1.00 0.00 C ATOM 35596 O4* C B1656 38.848 -76.015 14.661 1.00 0.00 O ATOM 35597 C3* C B1656 36.601 -75.327 14.758 1.00 0.00 C ATOM 35598 O3* C B1656 35.298 -75.778 14.950 1.00 0.00 O ATOM 35599 C2* C B1656 37.278 -74.908 16.061 1.00 0.00 C ATOM 35600 O2* C B1656 37.010 -75.844 17.090 1.00 0.00 O ATOM 35601 C1* C B1656 38.753 -75.053 15.700 1.00 0.00 C ATOM 35602 N1 C B1656 39.376 -73.789 15.218 1.00 0.00 N ATOM 35603 C2 C B1656 39.654 -72.802 16.159 1.00 0.00 C ATOM 35604 O2 C B1656 39.372 -73.012 17.346 1.00 0.00 O ATOM 35605 N3 C B1656 40.222 -71.642 15.738 1.00 0.00 N ATOM 35606 C4 C B1656 40.513 -71.453 14.446 1.00 0.00 C ATOM 35607 N4 C B1656 41.066 -70.305 14.087 1.00 0.00 N ATOM 35608 C5 C B1656 40.236 -72.457 13.463 1.00 0.00 C ATOM 35609 C6 C B1656 39.668 -73.606 13.902 1.00 0.00 C ATOM 35610 P U B1657 34.061 -74.754 14.652 1.00 0.00 P ATOM 35611 O1P U B1657 32.786 -75.501 14.554 1.00 0.00 O ATOM 35612 O2P U B1657 34.396 -73.902 13.489 1.00 0.00 O ATOM 35613 O5* U B1657 34.069 -73.874 15.990 1.00 0.00 O ATOM 35614 C5* U B1657 33.854 -74.526 17.254 1.00 0.00 C ATOM 35615 C4* U B1657 34.029 -73.533 18.386 1.00 0.00 C ATOM 35616 O4* U B1657 35.428 -73.136 18.451 1.00 0.00 O ATOM 35617 C3* U B1657 33.280 -72.208 18.230 1.00 0.00 C ATOM 35618 O3* U B1657 31.959 -72.312 18.664 1.00 0.00 O ATOM 35619 C2* U B1657 34.113 -71.267 19.097 1.00 0.00 C ATOM 35620 O2* U B1657 33.849 -71.484 20.473 1.00 0.00 O ATOM 35621 C1* U B1657 35.528 -71.773 18.830 1.00 0.00 C ATOM 35622 N1 U B1657 36.228 -71.043 17.737 1.00 0.00 N ATOM 35623 C2 U B1657 36.674 -69.776 18.018 1.00 0.00 C ATOM 35624 O2 U B1657 36.521 -69.243 19.106 1.00 0.00 O ATOM 35625 N3 U B1657 37.321 -69.128 16.982 1.00 0.00 N ATOM 35626 C4 U B1657 37.546 -69.635 15.718 1.00 0.00 C ATOM 35627 O4 U B1657 38.138 -68.960 14.872 1.00 0.00 O ATOM 35628 C5 U B1657 37.041 -70.971 15.518 1.00 0.00 C ATOM 35629 C6 U B1657 36.410 -71.621 16.508 1.00 0.00 C ATOM 35630 P C B1658 30.810 -71.439 17.902 1.00 0.00 P ATOM 35631 O1P C B1658 29.465 -71.951 18.249 1.00 0.00 O ATOM 35632 O2P C B1658 31.121 -71.370 16.457 1.00 0.00 O ATOM 35633 O5* C B1658 31.032 -70.002 18.573 1.00 0.00 O ATOM 35634 C5* C B1658 30.871 -69.865 19.996 1.00 0.00 C ATOM 35635 C4* C B1658 31.248 -68.459 20.426 1.00 0.00 C ATOM 35636 O4* C B1658 32.682 -68.280 20.241 1.00 0.00 O ATOM 35637 C3* C B1658 30.624 -67.325 19.617 1.00 0.00 C ATOM 35638 O3* C B1658 29.346 -67.010 20.073 1.00 0.00 O ATOM 35639 C2* C B1658 31.623 -66.191 19.832 1.00 0.00 C ATOM 35640 O2* C B1658 31.469 -65.623 21.121 1.00 0.00 O ATOM 35641 C1* C B1658 32.949 -66.947 19.836 1.00 0.00 C ATOM 35642 N1 C B1658 33.617 -66.994 18.504 1.00 0.00 N ATOM 35643 C2 C B1658 34.226 -65.830 18.042 1.00 0.00 C ATOM 35644 O2 C B1658 34.189 -64.817 18.750 1.00 0.00 O ATOM 35645 N3 C B1658 34.837 -65.852 16.831 1.00 0.00 N ATOM 35646 C4 C B1658 34.855 -66.972 16.096 1.00 0.00 C ATOM 35647 N4 C B1658 35.466 -66.942 14.921 1.00 0.00 N ATOM 35648 C5 C B1658 34.235 -68.179 16.551 1.00 0.00 C ATOM 35649 C6 C B1658 33.627 -68.134 17.765 1.00 0.00 C ATOM 35650 P G B1659 28.227 -66.515 18.994 1.00 0.00 P ATOM 35651 O1P G B1659 26.872 -66.585 19.592 1.00 0.00 O ATOM 35652 O2P G B1659 28.407 -67.252 17.724 1.00 0.00 O ATOM 35653 O5* G B1659 28.651 -64.986 18.798 1.00 0.00 O ATOM 35654 C5* G B1659 28.634 -64.105 19.937 1.00 0.00 C ATOM 35655 C4* G B1659 29.191 -62.748 19.553 1.00 0.00 C ATOM 35656 O4* G B1659 30.611 -62.886 19.262 1.00 0.00 O ATOM 35657 C3* G B1659 28.612 -62.129 18.280 1.00 0.00 C ATOM 35658 O3* G B1659 27.420 -61.454 18.537 1.00 0.00 O ATOM 35659 C2* G B1659 29.738 -61.195 17.840 1.00 0.00 C ATOM 35660 O2* G B1659 29.759 -60.024 18.637 1.00 0.00 O ATOM 35661 C1* G B1659 30.973 -62.008 18.208 1.00 0.00 C ATOM 35662 N9 G B1659 31.505 -62.830 17.086 1.00 0.00 N ATOM 35663 C8 G B1659 31.429 -64.192 16.893 1.00 0.00 C ATOM 35664 N7 G B1659 32.006 -64.606 15.791 1.00 0.00 N ATOM 35665 C5 G B1659 32.497 -63.438 15.211 1.00 0.00 C ATOM 35666 C6 G B1659 33.219 -63.248 14.005 1.00 0.00 C ATOM 35667 O6 G B1659 33.577 -64.084 13.182 1.00 0.00 O ATOM 35668 N1 G B1659 33.525 -61.895 13.798 1.00 0.00 N ATOM 35669 C2 G B1659 33.177 -60.862 14.647 1.00 0.00 C ATOM 35670 N2 G B1659 33.562 -59.639 14.271 1.00 0.00 N ATOM 35671 N3 G B1659 32.503 -61.040 15.779 1.00 0.00 N ATOM 35672 C4 G B1659 32.199 -62.348 15.996 1.00 0.00 C ATOM 35673 P G B1660 26.261 -61.449 17.386 1.00 0.00 P ATOM 35674 O1P G B1660 24.967 -61.015 17.967 1.00 0.00 O ATOM 35675 O2P G B1660 26.248 -62.758 16.695 1.00 0.00 O ATOM 35676 O5* G B1660 26.818 -60.317 16.401 1.00 0.00 O ATOM 35677 C5* G B1660 26.995 -58.982 16.904 1.00 0.00 C ATOM 35678 C4* G B1660 27.645 -58.113 15.848 1.00 0.00 C ATOM 35679 O4* G B1660 29.013 -58.571 15.636 1.00 0.00 O ATOM 35680 C3* G B1660 27.016 -58.173 14.454 1.00 0.00 C ATOM 35681 O3* G B1660 25.927 -57.312 14.345 1.00 0.00 O ATOM 35682 C2* G B1660 28.182 -57.767 13.558 1.00 0.00 C ATOM 35683 O2* G B1660 28.398 -56.367 13.615 1.00 0.00 O ATOM 35684 C1* G B1660 29.363 -58.424 14.267 1.00 0.00 C ATOM 35685 N9 G B1660 29.704 -59.776 13.735 1.00 0.00 N ATOM 35686 C8 G B1660 29.473 -61.014 14.292 1.00 0.00 C ATOM 35687 N7 G B1660 29.899 -62.016 13.561 1.00 0.00 N ATOM 35688 C5 G B1660 30.452 -61.397 12.442 1.00 0.00 C ATOM 35689 C6 G B1660 31.073 -61.961 11.298 1.00 0.00 C ATOM 35690 O6 G B1660 31.267 -63.144 11.034 1.00 0.00 O ATOM 35691 N1 G B1660 31.491 -60.970 10.400 1.00 0.00 N ATOM 35692 C2 G B1660 31.331 -59.610 10.583 1.00 0.00 C ATOM 35693 N2 G B1660 31.799 -58.827 9.609 1.00 0.00 N ATOM 35694 N3 G B1660 30.749 -59.079 11.656 1.00 0.00 N ATOM 35695 C4 G B1660 30.336 -60.029 12.541 1.00 0.00 C ATOM 35696 P G B1661 24.673 -57.750 13.397 1.00 0.00 P ATOM 35697 O1P G B1661 23.490 -56.913 13.694 1.00 0.00 O ATOM 35698 O2P G B1661 24.463 -59.212 13.500 1.00 0.00 O ATOM 35699 O5* G B1661 25.246 -57.384 11.949 1.00 0.00 O ATOM 35700 C5* G B1661 25.604 -56.019 11.665 1.00 0.00 C ATOM 35701 C4* G B1661 26.237 -55.924 10.292 1.00 0.00 C ATOM 35702 O4* G B1661 27.524 -56.604 10.319 1.00 0.00 O ATOM 35703 C3* G B1661 25.478 -56.619 9.159 1.00 0.00 C ATOM 35704 O3* G B1661 24.476 -55.802 8.638 1.00 0.00 O ATOM 35705 C2* G B1661 26.593 -56.900 8.152 1.00 0.00 C ATOM 35706 O2* G B1661 26.951 -55.717 7.458 1.00 0.00 O ATOM 35707 C1* G B1661 27.760 -57.242 9.073 1.00 0.00 C ATOM 35708 N9 G B1661 27.912 -58.703 9.326 1.00 0.00 N ATOM 35709 C8 G B1661 27.612 -59.426 10.459 1.00 0.00 C ATOM 35710 N7 G B1661 27.867 -60.708 10.357 1.00 0.00 N ATOM 35711 C5 G B1661 28.373 -60.842 9.064 1.00 0.00 C ATOM 35712 C6 G B1661 28.826 -61.999 8.376 1.00 0.00 C ATOM 35713 O6 G B1661 28.876 -63.159 8.772 1.00 0.00 O ATOM 35714 N1 G B1661 29.257 -61.685 7.079 1.00 0.00 N ATOM 35715 C2 G B1661 29.251 -60.422 6.520 1.00 0.00 C ATOM 35716 N2 G B1661 29.702 -60.333 5.269 1.00 0.00 N ATOM 35717 N3 G B1661 28.824 -59.340 7.169 1.00 0.00 N ATOM 35718 C4 G B1661 28.405 -59.624 8.427 1.00 0.00 C ATOM 35719 P U B1662 23.101 -56.497 8.100 1.00 0.00 P ATOM 35720 O1P U B1662 22.042 -55.475 7.936 1.00 0.00 O ATOM 35721 O2P U B1662 22.759 -57.649 8.963 1.00 0.00 O ATOM 35722 O5* U B1662 23.573 -57.018 6.661 1.00 0.00 O ATOM 35723 C5* U B1662 24.038 -56.065 5.690 1.00 0.00 C ATOM 35724 C4* U B1662 24.547 -56.784 4.458 1.00 0.00 C ATOM 35725 O4* U B1662 25.758 -57.515 4.805 1.00 0.00 O ATOM 35726 C3* U B1662 23.623 -57.857 3.884 1.00 0.00 C ATOM 35727 O3* U B1662 22.663 -57.306 3.037 1.00 0.00 O ATOM 35728 C2* U B1662 24.604 -58.766 3.147 1.00 0.00 C ATOM 35729 O2* U B1662 25.012 -58.180 1.923 1.00 0.00 O ATOM 35730 C1* U B1662 25.812 -58.733 4.080 1.00 0.00 C ATOM 35731 N1 U B1662 25.839 -59.853 5.062 1.00 0.00 N ATOM 35732 C2 U B1662 26.174 -61.097 4.584 1.00 0.00 C ATOM 35733 O2 U B1662 26.442 -61.307 3.411 1.00 0.00 O ATOM 35734 N3 U B1662 26.190 -62.109 5.523 1.00 0.00 N ATOM 35735 C4 U B1662 25.906 -61.985 6.866 1.00 0.00 C ATOM 35736 O4 U B1662 25.953 -62.967 7.610 1.00 0.00 O ATOM 35737 C5 U B1662 25.563 -60.643 7.275 1.00 0.00 C ATOM 35738 C6 U B1662 25.543 -59.639 6.382 1.00 0.00 C ATOM 35739 P G B1663 21.180 -57.990 2.979 1.00 0.00 P ATOM 35740 O1P G B1663 20.219 -57.070 2.329 1.00 0.00 O ATOM 35741 O2P G B1663 20.805 -58.462 4.330 1.00 0.00 O ATOM 35742 O5* G B1663 21.463 -59.238 2.024 1.00 0.00 O ATOM 35743 C5* G B1663 21.930 -59.004 0.683 1.00 0.00 C ATOM 35744 C4* G B1663 22.246 -60.319 0.005 1.00 0.00 C ATOM 35745 O4* G B1663 23.406 -60.917 0.656 1.00 0.00 O ATOM 35746 C3* G B1663 21.168 -61.399 0.108 1.00 0.00 C ATOM 35747 O3* G B1663 20.197 -61.247 -0.878 1.00 0.00 O ATOM 35748 C2* G B1663 21.983 -62.680 -0.061 1.00 0.00 C ATOM 35749 O2* G B1663 22.334 -62.878 -1.420 1.00 0.00 O ATOM 35750 C1* G B1663 23.269 -62.328 0.682 1.00 0.00 C ATOM 35751 N9 G B1663 23.273 -62.765 2.104 1.00 0.00 N ATOM 35752 C8 G B1663 23.139 -62.009 3.249 1.00 0.00 C ATOM 35753 N7 G B1663 23.189 -62.707 4.358 1.00 0.00 N ATOM 35754 C5 G B1663 23.372 -64.016 3.919 1.00 0.00 C ATOM 35755 C6 G B1663 23.497 -65.220 4.660 1.00 0.00 C ATOM 35756 O6 G B1663 23.477 -65.381 5.877 1.00 0.00 O ATOM 35757 N1 G B1663 23.669 -66.325 3.816 1.00 0.00 N ATOM 35758 C2 G B1663 23.709 -66.277 2.435 1.00 0.00 C ATOM 35759 N2 G B1663 23.880 -67.445 1.810 1.00 0.00 N ATOM 35760 N3 G B1663 23.589 -65.147 1.742 1.00 0.00 N ATOM 35761 C4 G B1663 23.424 -64.064 2.544 1.00 0.00 C ATOM 35762 P A B1664 19.341 -59.511 -0.543 1.00 0.00 P ATOM 35763 O1P A B1664 17.993 -59.543 -1.161 1.00 0.00 O ATOM 35764 O2P A B1664 20.261 -58.474 -1.061 1.00 0.00 O ATOM 35765 O5* A B1664 19.020 -59.129 1.337 1.00 0.00 O ATOM 35766 C5* A B1664 18.394 -59.113 2.832 1.00 0.00 C ATOM 35767 C4* A B1664 18.794 -60.116 4.204 1.00 0.00 C ATOM 35768 O4* A B1664 19.729 -59.852 5.289 1.00 0.00 O ATOM 35769 C3* A B1664 17.968 -61.302 4.712 1.00 0.00 C ATOM 35770 O3* A B1664 17.445 -62.005 3.450 1.00 0.00 O ATOM 35771 C2* A B1664 19.010 -62.110 5.488 1.00 0.00 C ATOM 35772 O2* A B1664 19.853 -62.821 4.596 1.00 0.00 O ATOM 35773 C1* A B1664 19.853 -61.004 6.109 1.00 0.00 C ATOM 35774 N9 A B1664 19.417 -60.587 7.676 1.00 0.00 N ATOM 35775 C8 A B1664 18.615 -59.548 8.095 1.00 0.00 C ATOM 35776 N7 A B1664 18.584 -59.391 9.382 1.00 0.00 N ATOM 35777 C5 A B1664 19.420 -60.393 9.860 1.00 0.00 C ATOM 35778 C6 A B1664 19.811 -60.763 11.160 1.00 0.00 C ATOM 35779 N6 A B1664 19.386 -60.133 12.266 1.00 0.00 N ATOM 35780 N1 A B1664 20.650 -61.804 11.277 1.00 0.00 N ATOM 35781 C2 A B1664 21.066 -62.424 10.180 1.00 0.00 C ATOM 35782 N3 A B1664 20.775 -62.174 8.919 1.00 0.00 N ATOM 35783 C4 A B1664 19.928 -61.125 8.825 1.00 0.00 C ATOM 35784 P A B1665 18.545 -61.869 1.996 1.00 0.00 P ATOM 35785 O1P A B1665 19.985 -61.548 2.114 1.00 0.00 O ATOM 35786 O2P A B1665 17.809 -61.138 0.940 1.00 0.00 O ATOM 35787 O5* A B1665 18.358 -63.446 1.798 1.00 0.00 O ATOM 35788 C5* A B1665 18.499 -64.006 0.477 1.00 0.00 C ATOM 35789 C4* A B1665 18.408 -65.515 0.541 1.00 0.00 C ATOM 35790 O4* A B1665 19.576 -66.030 1.246 1.00 0.00 O ATOM 35791 C3* A B1665 17.226 -66.079 1.333 1.00 0.00 C ATOM 35792 O3* A B1665 16.076 -66.148 0.553 1.00 0.00 O ATOM 35793 C2* A B1665 17.744 -67.457 1.743 1.00 0.00 C ATOM 35794 O2* A B1665 17.697 -68.355 0.649 1.00 0.00 O ATOM 35795 C1* A B1665 19.214 -67.165 2.015 1.00 0.00 C ATOM 35796 N9 A B1665 19.514 -66.864 3.443 1.00 0.00 N ATOM 35797 C8 A B1665 19.800 -65.652 4.035 1.00 0.00 C ATOM 35798 N7 A B1665 20.015 -65.729 5.312 1.00 0.00 N ATOM 35799 C5 A B1665 19.857 -67.077 5.599 1.00 0.00 C ATOM 35800 C6 A B1665 19.954 -67.807 6.794 1.00 0.00 C ATOM 35801 N6 A B1665 20.247 -67.252 7.980 1.00 0.00 N ATOM 35802 N1 A B1665 19.739 -69.134 6.728 1.00 0.00 N ATOM 35803 C2 A B1665 19.448 -69.681 5.548 1.00 0.00 C ATOM 35804 N3 A B1665 19.330 -69.101 4.373 1.00 0.00 N ATOM 35805 C4 A B1665 19.552 -67.773 4.466 1.00 0.00 C ATOM 35806 P G B1666 14.626 -65.900 1.268 1.00 0.00 P ATOM 35807 O1P G B1666 13.586 -65.650 0.244 1.00 0.00 O ATOM 35808 O2P G B1666 14.765 -64.864 2.315 1.00 0.00 O ATOM 35809 O5* G B1666 14.380 -67.328 1.950 1.00 0.00 O ATOM 35810 C5* G B1666 14.306 -68.498 1.114 1.00 0.00 C ATOM 35811 C4* G B1666 14.196 -69.743 1.971 1.00 0.00 C ATOM 35812 O4* G B1666 15.449 -69.932 2.689 1.00 0.00 O ATOM 35813 C3* G B1666 13.141 -69.697 3.077 1.00 0.00 C ATOM 35814 O3* G B1666 11.881 -70.047 2.595 1.00 0.00 O ATOM 35815 C2* G B1666 13.688 -70.711 4.080 1.00 0.00 C ATOM 35816 O2* G B1666 13.456 -72.037 3.635 1.00 0.00 O ATOM 35817 C1* G B1666 15.190 -70.467 3.977 1.00 0.00 C ATOM 35818 N9 G B1666 15.710 -69.504 4.988 1.00 0.00 N ATOM 35819 C8 G B1666 16.110 -68.195 4.819 1.00 0.00 C ATOM 35820 N7 G B1666 16.521 -67.618 5.923 1.00 0.00 N ATOM 35821 C5 G B1666 16.383 -68.612 6.890 1.00 0.00 C ATOM 35822 C6 G B1666 16.667 -68.581 8.280 1.00 0.00 C ATOM 35823 O6 G B1666 17.110 -67.656 8.957 1.00 0.00 O ATOM 35824 N1 G B1666 16.378 -69.810 8.887 1.00 0.00 N ATOM 35825 C2 G B1666 15.878 -70.925 8.239 1.00 0.00 C ATOM 35826 N2 G B1666 15.669 -72.001 8.999 1.00 0.00 N ATOM 35827 N3 G B1666 15.611 -70.951 6.934 1.00 0.00 N ATOM 35828 C4 G B1666 15.886 -69.765 6.328 1.00 0.00 C ATOM 35829 P G B1667 10.567 -69.326 3.244 1.00 0.00 P ATOM 35830 O1P G B1667 9.386 -69.536 2.378 1.00 0.00 O ATOM 35831 O2P G B1667 10.886 -67.916 3.567 1.00 0.00 O ATOM 35832 O5* G B1667 10.402 -70.167 4.595 1.00 0.00 O ATOM 35833 C5* G B1667 10.175 -71.586 4.513 1.00 0.00 C ATOM 35834 C4* G B1667 10.176 -72.194 5.902 1.00 0.00 C ATOM 35835 O4* G B1667 11.520 -72.108 6.453 1.00 0.00 O ATOM 35836 C3* G B1667 9.306 -71.484 6.939 1.00 0.00 C ATOM 35837 O3* G B1667 7.979 -71.905 6.866 1.00 0.00 O ATOM 35838 C2* G B1667 9.980 -71.883 8.249 1.00 0.00 C ATOM 35839 O2* G B1667 9.656 -73.219 8.597 1.00 0.00 O ATOM 35840 C1* G B1667 11.452 -71.874 7.851 1.00 0.00 C ATOM 35841 N9 G B1667 12.142 -70.585 8.136 1.00 0.00 N ATOM 35842 C8 G B1667 12.538 -69.597 7.259 1.00 0.00 C ATOM 35843 N7 G B1667 13.126 -68.576 7.836 1.00 0.00 N ATOM 35844 C5 G B1667 13.119 -68.911 9.192 1.00 0.00 C ATOM 35845 C6 G B1667 13.613 -68.197 10.314 1.00 0.00 C ATOM 35846 O6 G B1667 14.174 -67.106 10.344 1.00 0.00 O ATOM 35847 N1 G B1667 13.399 -68.902 11.504 1.00 0.00 N ATOM 35848 C2 G B1667 12.784 -70.136 11.600 1.00 0.00 C ATOM 35849 N2 G B1667 12.674 -70.643 12.830 1.00 0.00 N ATOM 35850 N3 G B1667 12.317 -70.804 10.549 1.00 0.00 N ATOM 35851 C4 G B1667 12.518 -70.134 9.383 1.00 0.00 C ATOM 35852 P A B1668 7.667 -70.179 5.735 1.00 0.00 P ATOM 35853 O1P A B1668 7.294 -70.591 4.364 1.00 0.00 O ATOM 35854 O2P A B1668 8.877 -69.340 5.848 1.00 0.00 O ATOM 35855 O5* A B1668 6.571 -68.696 6.325 1.00 0.00 O ATOM 35856 C5* A B1668 6.066 -67.259 6.607 1.00 0.00 C ATOM 35857 C4* A B1668 4.508 -66.639 6.445 1.00 0.00 C ATOM 35858 O4* A B1668 3.623 -66.275 7.543 1.00 0.00 O ATOM 35859 C3* A B1668 4.519 -65.392 5.555 1.00 0.00 C ATOM 35860 O3* A B1668 4.753 -65.889 4.181 1.00 0.00 O ATOM 35861 C2* A B1668 3.080 -64.897 5.688 1.00 0.00 C ATOM 35862 O2* A B1668 2.198 -65.691 4.910 1.00 0.00 O ATOM 35863 C1* A B1668 2.784 -65.204 7.151 1.00 0.00 C ATOM 35864 N9 A B1668 3.043 -63.908 8.212 1.00 0.00 N ATOM 35865 C8 A B1668 3.654 -63.921 9.447 1.00 0.00 C ATOM 35866 N7 A B1668 3.835 -62.743 9.957 1.00 0.00 N ATOM 35867 C5 A B1668 3.314 -61.880 9.001 1.00 0.00 C ATOM 35868 C6 A B1668 3.199 -60.482 8.948 1.00 0.00 C ATOM 35869 N6 A B1668 3.636 -59.669 9.918 1.00 0.00 N ATOM 35870 N1 A B1668 2.630 -59.947 7.853 1.00 0.00 N ATOM 35871 C2 A B1668 2.201 -60.761 6.889 1.00 0.00 C ATOM 35872 N3 A B1668 2.248 -62.077 6.828 1.00 0.00 N ATOM 35873 C4 A B1668 2.829 -62.584 7.936 1.00 0.00 C ATOM 35874 P A B1669 5.144 -67.781 4.070 1.00 0.00 P ATOM 35875 O1P A B1669 6.597 -67.579 3.864 1.00 0.00 O ATOM 35876 O2P A B1669 4.374 -68.182 2.874 1.00 0.00 O ATOM 35877 O5* A B1669 4.907 -68.837 5.248 1.00 0.00 O ATOM 35878 C5* A B1669 4.911 -70.241 4.940 1.00 0.00 C ATOM 35879 C4* A B1669 4.794 -71.053 6.212 1.00 0.00 C ATOM 35880 O4* A B1669 6.014 -70.887 6.993 1.00 0.00 O ATOM 35881 C3* A B1669 3.680 -70.629 7.174 1.00 0.00 C ATOM 35882 O3* A B1669 2.459 -71.198 6.825 1.00 0.00 O ATOM 35883 C2* A B1669 4.207 -71.140 8.514 1.00 0.00 C ATOM 35884 O2* A B1669 4.036 -72.546 8.619 1.00 0.00 O ATOM 35885 C1* A B1669 5.703 -70.886 8.376 1.00 0.00 C ATOM 35886 N9 A B1669 6.142 -69.578 8.944 1.00 0.00 N ATOM 35887 C8 A B1669 6.512 -68.428 8.286 1.00 0.00 C ATOM 35888 N7 A B1669 6.846 -67.454 9.076 1.00 0.00 N ATOM 35889 C5 A B1669 6.690 -67.986 10.347 1.00 0.00 C ATOM 35890 C6 A B1669 6.886 -67.447 11.630 1.00 0.00 C ATOM 35891 N6 A B1669 7.304 -66.191 11.848 1.00 0.00 N ATOM 35892 N1 A B1669 6.636 -68.247 12.682 1.00 0.00 N ATOM 35893 C2 A B1669 6.224 -69.492 12.459 1.00 0.00 C ATOM 35894 N3 A B1669 6.005 -70.103 11.313 1.00 0.00 N ATOM 35895 C4 A B1669 6.261 -69.278 10.274 1.00 0.00 C ATOM 35896 P C B1670 2.342 -72.258 5.291 1.00 0.00 P ATOM 35897 O1P C B1670 3.620 -72.853 4.818 1.00 0.00 O ATOM 35898 O2P C B1670 1.547 -71.543 4.278 1.00 0.00 O ATOM 35899 O5* C B1670 1.498 -73.591 6.233 1.00 0.00 O ATOM 35900 C5* C B1670 0.715 -74.823 6.172 1.00 0.00 C ATOM 35901 C4* C B1670 -0.847 -74.472 5.712 1.00 0.00 C ATOM 35902 O4* C B1670 -1.039 -73.744 4.463 1.00 0.00 O ATOM 35903 C3* C B1670 -1.919 -73.894 6.639 1.00 0.00 C ATOM 35904 O3* C B1670 -1.646 -74.225 8.139 1.00 0.00 O ATOM 35905 C2* C B1670 -1.970 -72.439 6.216 1.00 0.00 C ATOM 35906 O2* C B1670 -0.852 -71.728 6.736 1.00 0.00 O ATOM 35907 C1* C B1670 -1.753 -72.551 4.709 1.00 0.00 C ATOM 35908 N1 C B1670 -3.208 -72.582 3.770 1.00 0.00 N ATOM 35909 C2 C B1670 -4.407 -72.341 4.431 1.00 0.00 C ATOM 35910 O2 C B1670 -4.388 -72.165 5.656 1.00 0.00 O ATOM 35911 N3 C B1670 -5.558 -72.313 3.707 1.00 0.00 N ATOM 35912 C4 C B1670 -5.532 -72.500 2.383 1.00 0.00 C ATOM 35913 N4 C B1670 -6.685 -72.465 1.720 1.00 0.00 N ATOM 35914 C5 C B1670 -4.303 -72.744 1.684 1.00 0.00 C ATOM 35915 C6 C B1670 -3.166 -72.770 2.422 1.00 0.00 C ATOM 35916 P U B1671 -2.345 -73.287 9.555 1.00 0.00 P ATOM 35917 O1P U B1671 -3.179 -72.143 9.133 1.00 0.00 O ATOM 35918 O2P U B1671 -1.324 -72.994 10.583 1.00 0.00 O ATOM 35919 O5* U B1671 -3.373 -74.704 10.052 1.00 0.00 O ATOM 35920 C5* U B1671 -4.529 -75.108 10.788 1.00 0.00 C ATOM 35921 C4* U B1671 -5.238 -73.929 11.651 1.00 0.00 C ATOM 35922 O4* U B1671 -6.567 -73.568 11.191 1.00 0.00 O ATOM 35923 C3* U B1671 -5.394 -74.070 13.165 1.00 0.00 C ATOM 35924 O3* U B1671 -5.504 -75.411 13.887 1.00 0.00 O ATOM 35925 C2* U B1671 -6.402 -72.968 13.482 1.00 0.00 C ATOM 35926 O2* U B1671 -5.779 -71.693 13.468 1.00 0.00 O ATOM 35927 C1* U B1671 -7.319 -73.026 12.273 1.00 0.00 C ATOM 35928 N1 U B1671 -8.714 -73.979 12.485 1.00 0.00 N ATOM 35929 C2 U B1671 -9.709 -73.456 13.273 1.00 0.00 C ATOM 35930 O2 U B1671 -9.626 -72.370 13.821 1.00 0.00 O ATOM 35931 N3 U B1671 -10.836 -74.249 13.402 1.00 0.00 N ATOM 35932 C4 U B1671 -11.037 -75.485 12.833 1.00 0.00 C ATOM 35933 O4 U B1671 -12.090 -76.099 13.025 1.00 0.00 O ATOM 35934 C5 U B1671 -9.936 -75.950 12.027 1.00 0.00 C ATOM 35935 C6 U B1671 -8.827 -75.199 11.877 1.00 0.00 C ATOM 35936 P A B1672 -6.776 -75.713 15.205 1.00 0.00 P ATOM 35937 O1P A B1672 -7.227 -74.356 15.595 1.00 0.00 O ATOM 35938 O2P A B1672 -6.244 -76.547 16.301 1.00 0.00 O ATOM 35939 O5* A B1672 -8.151 -76.654 14.370 1.00 0.00 O ATOM 35940 C5* A B1672 -9.581 -77.066 14.629 1.00 0.00 C ATOM 35941 C4* A B1672 -10.158 -76.150 15.846 1.00 0.00 C ATOM 35942 O4* A B1672 -9.147 -75.168 16.214 1.00 0.00 O ATOM 35943 C3* A B1672 -11.412 -75.688 16.593 1.00 0.00 C ATOM 35944 O3* A B1672 -12.578 -76.697 16.822 1.00 0.00 O ATOM 35945 C2* A B1672 -10.826 -75.156 17.893 1.00 0.00 C ATOM 35946 O2* A B1672 -10.469 -76.218 18.759 1.00 0.00 O ATOM 35947 C1* A B1672 -9.530 -74.518 17.416 1.00 0.00 C ATOM 35948 N9 A B1672 -9.636 -72.693 17.086 1.00 0.00 N ATOM 35949 C8 A B1672 -9.477 -72.037 15.890 1.00 0.00 C ATOM 35950 N7 A B1672 -9.372 -70.747 16.003 1.00 0.00 N ATOM 35951 C5 A B1672 -9.471 -70.524 17.370 1.00 0.00 C ATOM 35952 C6 A B1672 -9.435 -69.355 18.144 1.00 0.00 C ATOM 35953 N6 A B1672 -9.284 -68.129 17.624 1.00 0.00 N ATOM 35954 N1 A B1672 -9.563 -69.491 19.476 1.00 0.00 N ATOM 35955 C2 A B1672 -9.712 -70.710 19.986 1.00 0.00 C ATOM 35956 N3 A B1672 -9.759 -71.867 19.367 1.00 0.00 N ATOM 35957 C4 A B1672 -9.633 -71.705 18.033 1.00 0.00 C ATOM 35958 P G B1673 -12.871 -77.611 18.414 1.00 0.00 P ATOM 35959 O1P G B1673 -11.788 -78.586 18.680 1.00 0.00 O ATOM 35960 O2P G B1673 -14.246 -78.159 18.424 1.00 0.00 O ATOM 35961 O5* G B1673 -12.768 -76.218 19.593 1.00 0.00 O ATOM 35962 C5* G B1673 -13.038 -74.968 20.205 1.00 0.00 C ATOM 35963 C4* G B1673 -12.868 -73.829 19.098 1.00 0.00 C ATOM 35964 O4* G B1673 -13.984 -73.044 18.583 1.00 0.00 O ATOM 35965 C3* G B1673 -11.650 -72.930 18.869 1.00 0.00 C ATOM 35966 O3* G B1673 -10.190 -73.780 19.308 1.00 0.00 O ATOM 35967 C2* G B1673 -11.999 -72.261 17.541 1.00 0.00 C ATOM 35968 O2* G B1673 -11.799 -73.154 16.459 1.00 0.00 O ATOM 35969 C1* G B1673 -13.506 -72.063 17.683 1.00 0.00 C ATOM 35970 N9 G B1673 -13.977 -70.512 18.269 1.00 0.00 N ATOM 35971 C8 G B1673 -15.080 -70.165 19.023 1.00 0.00 C ATOM 35972 N7 G B1673 -15.244 -68.873 19.161 1.00 0.00 N ATOM 35973 C5 G B1673 -14.171 -68.323 18.456 1.00 0.00 C ATOM 35974 C6 G B1673 -13.814 -66.970 18.258 1.00 0.00 C ATOM 35975 O6 G B1673 -14.374 -65.955 18.658 1.00 0.00 O ATOM 35976 N1 G B1673 -12.650 -66.858 17.483 1.00 0.00 N ATOM 35977 C2 G B1673 -11.925 -67.919 16.975 1.00 0.00 C ATOM 35978 N2 G B1673 -10.848 -67.602 16.263 1.00 0.00 N ATOM 35979 N3 G B1673 -12.265 -69.195 17.162 1.00 0.00 N ATOM 35980 C4 G B1673 -13.395 -69.316 17.914 1.00 0.00 C ATOM 35981 P G B1674 -8.247 -73.695 19.534 1.00 0.00 P ATOM 35982 O1P G B1674 -7.541 -72.617 18.812 1.00 0.00 O ATOM 35983 O2P G B1674 -7.661 -75.044 19.406 1.00 0.00 O ATOM 35984 O5* G B1674 -8.393 -73.173 21.269 1.00 0.00 O ATOM 35985 C5* G B1674 -7.585 -73.607 22.349 1.00 0.00 C ATOM 35986 C4* G B1674 -8.464 -73.856 23.747 1.00 0.00 C ATOM 35987 O4* G B1674 -8.642 -72.729 24.653 1.00 0.00 O ATOM 35988 C3* G B1674 -8.072 -75.014 24.663 1.00 0.00 C ATOM 35989 O3* G B1674 -8.907 -76.307 24.883 1.00 0.00 O ATOM 35990 C2* G B1674 -7.228 -74.311 25.722 1.00 0.00 C ATOM 35991 O2* G B1674 -5.936 -74.022 25.219 1.00 0.00 O ATOM 35992 C1* G B1674 -7.955 -72.981 25.872 1.00 0.00 C ATOM 35993 N9 G B1674 -9.133 -72.926 27.202 1.00 0.00 N ATOM 35994 C8 G B1674 -9.645 -73.960 27.955 1.00 0.00 C ATOM 35995 N7 G B1674 -10.435 -73.572 28.930 1.00 0.00 N ATOM 35996 C5 G B1674 -10.445 -72.182 28.813 1.00 0.00 C ATOM 35997 C6 G B1674 -11.119 -71.209 29.591 1.00 0.00 C ATOM 35998 O6 G B1674 -11.860 -71.369 30.552 1.00 0.00 O ATOM 35999 N1 G B1674 -10.854 -69.911 29.122 1.00 0.00 N ATOM 36000 C2 G B1674 -10.039 -69.599 28.051 1.00 0.00 C ATOM 36001 N2 G B1674 -9.909 -68.302 27.770 1.00 0.00 N ATOM 36002 N3 G B1674 -9.407 -70.516 27.327 1.00 0.00 N ATOM 36003 C4 G B1674 -9.654 -71.780 27.765 1.00 0.00 C ATOM 36004 P C B1675 -10.620 -76.083 25.524 1.00 0.00 P ATOM 36005 O1P C B1675 -11.535 -77.214 25.268 1.00 0.00 O ATOM 36006 O2P C B1675 -11.086 -74.761 25.039 1.00 0.00 O ATOM 36007 O5* C B1675 -10.155 -76.146 27.285 1.00 0.00 O ATOM 36008 C5* C B1675 -9.881 -75.942 28.701 1.00 0.00 C ATOM 36009 C4* C B1675 -11.013 -76.500 29.616 1.00 0.00 C ATOM 36010 O4* C B1675 -11.946 -75.987 30.607 1.00 0.00 O ATOM 36011 C3* C B1675 -11.672 -77.777 29.107 1.00 0.00 C ATOM 36012 O3* C B1675 -10.297 -78.262 28.485 1.00 0.00 O ATOM 36013 C2* C B1675 -12.335 -78.323 30.375 1.00 0.00 C ATOM 36014 O2* C B1675 -11.371 -78.922 31.225 1.00 0.00 O ATOM 36015 C1* C B1675 -12.792 -77.036 31.057 1.00 0.00 C ATOM 36016 N1 C B1675 -14.427 -76.590 30.734 1.00 0.00 N ATOM 36017 C2 C B1675 -15.409 -77.555 30.931 1.00 0.00 C ATOM 36018 O2 C B1675 -15.068 -78.691 31.261 1.00 0.00 O ATOM 36019 N3 C B1675 -16.707 -77.201 30.760 1.00 0.00 N ATOM 36020 C4 C B1675 -17.040 -75.955 30.404 1.00 0.00 C ATOM 36021 N4 C B1675 -18.322 -75.669 30.250 1.00 0.00 N ATOM 36022 C5 C B1675 -16.042 -74.949 30.195 1.00 0.00 C ATOM 36023 C6 C B1675 -14.746 -75.319 30.371 1.00 0.00 C ATOM 36024 P A B1676 -9.314 -79.734 28.958 1.00 0.00 P ATOM 36025 O1P A B1676 -8.569 -80.198 27.769 1.00 0.00 O ATOM 36026 O2P A B1676 -10.217 -80.728 29.584 1.00 0.00 O ATOM 36027 O5* A B1676 -8.265 -79.367 30.452 1.00 0.00 O ATOM 36028 C5* A B1676 -8.584 -80.509 31.368 1.00 0.00 C ATOM 36029 C4* A B1676 -7.713 -81.963 31.364 1.00 0.00 C ATOM 36030 O4* A B1676 -7.043 -81.758 32.640 1.00 0.00 O ATOM 36031 C3* A B1676 -8.322 -83.361 31.497 1.00 0.00 C ATOM 36032 O3* A B1676 -8.602 -84.295 30.270 1.00 0.00 O ATOM 36033 C2* A B1676 -7.265 -84.095 32.314 1.00 0.00 C ATOM 36034 O2* A B1676 -6.156 -84.442 31.506 1.00 0.00 O ATOM 36035 C1* A B1676 -6.799 -83.006 33.265 1.00 0.00 C ATOM 36036 N9 A B1676 -7.562 -83.006 34.752 1.00 0.00 N ATOM 36037 C8 A B1676 -8.213 -81.970 35.377 1.00 0.00 C ATOM 36038 N7 A B1676 -8.571 -82.232 36.596 1.00 0.00 N ATOM 36039 C5 A B1676 -8.132 -83.533 36.804 1.00 0.00 C ATOM 36040 C6 A B1676 -8.206 -84.395 37.907 1.00 0.00 C ATOM 36041 N6 A B1676 -8.785 -84.064 39.071 1.00 0.00 N ATOM 36042 N1 A B1676 -7.667 -85.623 37.776 1.00 0.00 N ATOM 36043 C2 A B1676 -7.098 -85.951 36.616 1.00 0.00 C ATOM 36044 N3 A B1676 -6.967 -85.235 35.524 1.00 0.00 N ATOM 36045 C4 A B1676 -7.513 -84.008 35.681 1.00 0.00 C ATOM 36046 P A B1677 -9.079 -83.476 28.727 1.00 0.00 P ATOM 36047 O1P A B1677 -9.575 -84.260 27.571 1.00 0.00 O ATOM 36048 O2P A B1677 -7.996 -82.513 28.431 1.00 0.00 O ATOM 36049 O5* A B1677 -10.478 -83.026 29.759 1.00 0.00 O ATOM 36050 C5* A B1677 -11.211 -83.708 30.811 1.00 0.00 C ATOM 36051 C4* A B1677 -12.576 -82.866 31.149 1.00 0.00 C ATOM 36052 O4* A B1677 -12.734 -82.511 32.551 1.00 0.00 O ATOM 36053 C3* A B1677 -12.664 -81.527 30.416 1.00 0.00 C ATOM 36054 O3* A B1677 -12.022 -81.242 29.057 1.00 0.00 O ATOM 36055 C2* A B1677 -13.702 -80.776 31.242 1.00 0.00 C ATOM 36056 O2* A B1677 -15.010 -81.245 30.960 1.00 0.00 O ATOM 36057 C1* A B1677 -13.367 -81.239 32.654 1.00 0.00 C ATOM 36058 N9 A B1677 -12.340 -80.202 33.511 1.00 0.00 N ATOM 36059 C8 A B1677 -11.248 -80.526 34.287 1.00 0.00 C ATOM 36060 N7 A B1677 -10.753 -79.520 34.935 1.00 0.00 N ATOM 36061 C5 A B1677 -11.555 -78.451 34.571 1.00 0.00 C ATOM 36062 C6 A B1677 -11.537 -77.095 34.926 1.00 0.00 C ATOM 36063 N6 A B1677 -10.647 -76.559 35.767 1.00 0.00 N ATOM 36064 N1 A B1677 -12.487 -76.301 34.385 1.00 0.00 N ATOM 36065 C2 A B1677 -13.371 -76.840 33.550 1.00 0.00 C ATOM 36066 N3 A B1677 -13.483 -78.087 33.152 1.00 0.00 N ATOM 36067 C4 A B1677 -12.526 -78.856 33.705 1.00 0.00 C ATOM 36068 P A B1678 -12.950 -81.047 27.497 1.00 0.00 P ATOM 36069 O1P A B1678 -14.186 -81.582 28.105 1.00 0.00 O ATOM 36070 O2P A B1678 -12.560 -81.635 26.195 1.00 0.00 O ATOM 36071 O5* A B1678 -12.681 -79.282 27.280 1.00 0.00 O ATOM 36072 C5* A B1678 -11.318 -79.169 26.825 1.00 0.00 C ATOM 36073 C4* A B1678 -10.644 -80.149 25.635 1.00 0.00 C ATOM 36074 O4* A B1678 -11.507 -79.910 24.490 1.00 0.00 O ATOM 36075 C3* A B1678 -9.278 -79.635 25.187 1.00 0.00 C ATOM 36076 O3* A B1678 -8.488 -78.395 25.811 1.00 0.00 O ATOM 36077 C2* A B1678 -9.265 -80.019 23.710 1.00 0.00 C ATOM 36078 O2* A B1678 -9.017 -81.407 23.552 1.00 0.00 O ATOM 36079 C1* A B1678 -10.717 -79.779 23.316 1.00 0.00 C ATOM 36080 N9 A B1678 -11.007 -78.329 22.670 1.00 0.00 N ATOM 36081 C8 A B1678 -12.196 -77.629 22.649 1.00 0.00 C ATOM 36082 N7 A B1678 -12.067 -76.394 22.273 1.00 0.00 N ATOM 36083 C5 A B1678 -10.709 -76.253 22.024 1.00 0.00 C ATOM 36084 C6 A B1678 -9.935 -75.167 21.592 1.00 0.00 C ATOM 36085 N6 A B1678 -10.444 -73.958 21.316 1.00 0.00 N ATOM 36086 N1 A B1678 -8.611 -75.367 21.446 1.00 0.00 N ATOM 36087 C2 A B1678 -8.112 -76.571 21.718 1.00 0.00 C ATOM 36088 N3 A B1678 -8.735 -77.655 22.130 1.00 0.00 N ATOM 36089 C4 A B1678 -10.056 -77.427 22.263 1.00 0.00 C ATOM 36090 P A B1679 -6.682 -78.594 26.261 1.00 0.00 P ATOM 36091 O1P A B1679 -6.185 -79.581 25.277 1.00 0.00 O ATOM 36092 O2P A B1679 -6.486 -78.943 27.683 1.00 0.00 O ATOM 36093 O5* A B1679 -5.827 -76.937 26.054 1.00 0.00 O ATOM 36094 C5* A B1679 -4.783 -75.971 26.607 1.00 0.00 C ATOM 36095 C4* A B1679 -5.318 -75.190 28.083 1.00 0.00 C ATOM 36096 O4* A B1679 -5.669 -76.210 29.062 1.00 0.00 O ATOM 36097 C3* A B1679 -6.549 -74.287 28.036 1.00 0.00 C ATOM 36098 O3* A B1679 -6.751 -72.668 27.988 1.00 0.00 O ATOM 36099 C2* A B1679 -7.687 -75.286 28.213 1.00 0.00 C ATOM 36100 O2* A B1679 -7.923 -76.000 27.015 1.00 0.00 O ATOM 36101 C1* A B1679 -7.078 -76.268 29.207 1.00 0.00 C ATOM 36102 N9 A B1679 -7.450 -75.969 30.786 1.00 0.00 N ATOM 36103 C8 A B1679 -8.509 -75.248 31.291 1.00 0.00 C ATOM 36104 N7 A B1679 -8.661 -75.357 32.576 1.00 0.00 N ATOM 36105 C5 A B1679 -7.631 -76.204 32.960 1.00 0.00 C ATOM 36106 C6 A B1679 -7.243 -76.717 34.208 1.00 0.00 C ATOM 36107 N6 A B1679 -7.883 -76.432 35.356 1.00 0.00 N ATOM 36108 N1 A B1679 -6.174 -77.536 34.234 1.00 0.00 N ATOM 36109 C2 A B1679 -5.548 -77.813 33.097 1.00 0.00 C ATOM 36110 N3 A B1679 -5.817 -77.399 31.877 1.00 0.00 N ATOM 36111 C4 A B1679 -6.891 -76.583 31.875 1.00 0.00 C ATOM 36112 P U B1680 -6.497 -71.245 26.723 1.00 0.00 P ATOM 36113 O1P U B1680 -5.484 -71.677 25.730 1.00 0.00 O ATOM 36114 O2P U B1680 -6.161 -70.027 27.487 1.00 0.00 O ATOM 36115 O5* U B1680 -8.093 -70.846 25.731 1.00 0.00 O ATOM 36116 C5* U B1680 -9.341 -70.499 24.860 1.00 0.00 C ATOM 36117 C4* U B1680 -10.883 -71.220 24.577 1.00 0.00 C ATOM 36118 O4* U B1680 -11.707 -70.677 23.506 1.00 0.00 O ATOM 36119 C3* U B1680 -11.843 -72.118 25.362 1.00 0.00 C ATOM 36120 O3* U B1680 -11.690 -73.214 26.384 1.00 0.00 O ATOM 36121 C2* U B1680 -13.152 -71.340 25.278 1.00 0.00 C ATOM 36122 O2* U B1680 -13.143 -70.233 26.162 1.00 0.00 O ATOM 36123 C1* U B1680 -13.077 -70.771 23.862 1.00 0.00 C ATOM 36124 N1 U B1680 -13.894 -71.721 22.653 1.00 0.00 N ATOM 36125 C2 U B1680 -14.031 -73.060 22.902 1.00 0.00 C ATOM 36126 O2 U B1680 -13.538 -73.607 23.871 1.00 0.00 O ATOM 36127 N3 U B1680 -14.772 -73.765 21.968 1.00 0.00 N ATOM 36128 C4 U B1680 -15.372 -73.248 20.838 1.00 0.00 C ATOM 36129 O4 U B1680 -16.008 -73.981 20.080 1.00 0.00 O ATOM 36130 C5 U B1680 -15.170 -71.830 20.664 1.00 0.00 C ATOM 36131 C6 U B1680 -14.458 -71.123 21.555 1.00 0.00 C ATOM 36132 P G B1681 -13.060 -73.870 27.398 1.00 0.00 P ATOM 36133 O1P G B1681 -13.344 -73.127 28.651 1.00 0.00 O ATOM 36134 O2P G B1681 -12.982 -75.343 27.525 1.00 0.00 O ATOM 36135 O5* G B1681 -14.079 -73.411 25.999 1.00 0.00 O ATOM 36136 C5* G B1681 -15.092 -74.355 25.881 1.00 0.00 C ATOM 36137 C4* G B1681 -16.316 -73.679 26.703 1.00 0.00 C ATOM 36138 O4* G B1681 -16.339 -72.278 27.098 1.00 0.00 O ATOM 36139 C3* G B1681 -17.496 -73.815 25.741 1.00 0.00 C ATOM 36140 O3* G B1681 -17.433 -75.424 25.745 1.00 0.00 O ATOM 36141 C2* G B1681 -18.524 -72.868 26.364 1.00 0.00 C ATOM 36142 O2* G B1681 -19.122 -73.459 27.503 1.00 0.00 O ATOM 36143 C1* G B1681 -17.635 -71.739 26.865 1.00 0.00 C ATOM 36144 N9 G B1681 -17.477 -70.366 25.747 1.00 0.00 N ATOM 36145 C8 G B1681 -17.096 -69.067 26.012 1.00 0.00 C ATOM 36146 N7 G B1681 -16.996 -68.316 24.946 1.00 0.00 N ATOM 36147 C5 G B1681 -17.336 -69.174 23.900 1.00 0.00 C ATOM 36148 C6 G B1681 -17.406 -68.926 22.502 1.00 0.00 C ATOM 36149 O6 G B1681 -17.184 -67.884 21.890 1.00 0.00 O ATOM 36150 N1 G B1681 -17.794 -70.073 21.800 1.00 0.00 N ATOM 36151 C2 G B1681 -18.071 -71.300 22.373 1.00 0.00 C ATOM 36152 N2 G B1681 -18.419 -72.276 21.528 1.00 0.00 N ATOM 36153 N3 G B1681 -18.003 -71.535 23.679 1.00 0.00 N ATOM 36154 C4 G B1681 -17.630 -70.427 24.376 1.00 0.00 C ATOM 36155 P G B1682 -17.652 -76.033 23.982 1.00 0.00 P ATOM 36156 O1P G B1682 -16.783 -75.621 22.856 1.00 0.00 O ATOM 36157 O2P G B1682 -18.962 -75.347 24.063 1.00 0.00 O ATOM 36158 O5* G B1682 -17.871 -77.617 23.944 1.00 0.00 O ATOM 36159 C5* G B1682 -19.057 -78.170 24.538 1.00 0.00 C ATOM 36160 C4* G B1682 -19.120 -79.663 24.276 1.00 0.00 C ATOM 36161 O4* G B1682 -19.332 -79.885 22.854 1.00 0.00 O ATOM 36162 C3* G B1682 -17.843 -80.447 24.587 1.00 0.00 C ATOM 36163 O3* G B1682 -17.770 -80.792 25.934 1.00 0.00 O ATOM 36164 C2* G B1682 -17.988 -81.665 23.674 1.00 0.00 C ATOM 36165 O2* G B1682 -18.923 -82.586 24.210 1.00 0.00 O ATOM 36166 C1* G B1682 -18.630 -81.045 22.435 1.00 0.00 C ATOM 36167 N9 G B1682 -17.652 -80.645 21.390 1.00 0.00 N ATOM 36168 C8 G B1682 -17.222 -79.382 21.038 1.00 0.00 C ATOM 36169 N7 G B1682 -16.341 -79.371 20.065 1.00 0.00 N ATOM 36170 C5 G B1682 -16.174 -80.720 19.753 1.00 0.00 C ATOM 36171 C6 G B1682 -15.348 -81.338 18.780 1.00 0.00 C ATOM 36172 O6 G B1682 -14.578 -80.813 17.980 1.00 0.00 O ATOM 36173 N1 G B1682 -15.485 -82.731 18.798 1.00 0.00 N ATOM 36174 C2 G B1682 -16.315 -83.439 19.652 1.00 0.00 C ATOM 36175 N2 G B1682 -16.301 -84.766 19.511 1.00 0.00 N ATOM 36176 N3 G B1682 -17.090 -82.859 20.562 1.00 0.00 N ATOM 36177 C4 G B1682 -16.970 -81.504 20.558 1.00 0.00 C ATOM 36178 P U B1683 -16.304 -80.846 26.651 1.00 0.00 P ATOM 36179 O1P U B1683 -16.453 -80.862 28.124 1.00 0.00 O ATOM 36180 O2P U B1683 -15.447 -79.773 26.102 1.00 0.00 O ATOM 36181 O5* U B1683 -15.776 -82.272 26.146 1.00 0.00 O ATOM 36182 C5* U B1683 -16.522 -83.453 26.492 1.00 0.00 C ATOM 36183 C4* U B1683 -15.919 -84.665 25.810 1.00 0.00 C ATOM 36184 O4* U B1683 -16.129 -84.551 24.374 1.00 0.00 O ATOM 36185 C3* U B1683 -14.402 -84.819 25.948 1.00 0.00 C ATOM 36186 O3* U B1683 -14.059 -85.451 27.143 1.00 0.00 O ATOM 36187 C2* U B1683 -14.055 -85.656 24.719 1.00 0.00 C ATOM 36188 O2* U B1683 -14.413 -87.014 24.914 1.00 0.00 O ATOM 36189 C1* U B1683 -15.017 -85.089 23.680 1.00 0.00 C ATOM 36190 N1 U B1683 -14.426 -84.006 22.845 1.00 0.00 N ATOM 36191 C2 U B1683 -13.519 -84.380 21.883 1.00 0.00 C ATOM 36192 O2 U B1683 -13.193 -85.540 21.696 1.00 0.00 O ATOM 36193 N3 U B1683 -12.995 -83.348 21.129 1.00 0.00 N ATOM 36194 C4 U B1683 -13.293 -82.008 21.257 1.00 0.00 C ATOM 36195 O4 U B1683 -12.758 -81.173 20.523 1.00 0.00 O ATOM 36196 C5 U B1683 -14.254 -81.713 22.293 1.00 0.00 C ATOM 36197 C6 U B1683 -14.781 -82.698 23.041 1.00 0.00 C ATOM 36198 P G B1684 -12.673 -85.018 27.887 1.00 0.00 P ATOM 36199 O1P G B1684 -12.666 -85.512 29.283 1.00 0.00 O ATOM 36200 O2P G B1684 -12.455 -83.565 27.715 1.00 0.00 O ATOM 36201 O5* G B1684 -11.599 -85.833 27.023 1.00 0.00 O ATOM 36202 C5* G B1684 -11.687 -87.269 26.974 1.00 0.00 C ATOM 36203 C4* G B1684 -10.659 -87.819 26.005 1.00 0.00 C ATOM 36204 O4* G B1684 -11.029 -87.421 24.653 1.00 0.00 O ATOM 36205 C3* G B1684 -9.235 -87.285 26.169 1.00 0.00 C ATOM 36206 O3* G B1684 -8.536 -87.989 27.146 1.00 0.00 O ATOM 36207 C2* G B1684 -8.655 -87.484 24.772 1.00 0.00 C ATOM 36208 O2* G B1684 -8.335 -88.846 24.551 1.00 0.00 O ATOM 36209 C1* G B1684 -9.859 -87.165 23.890 1.00 0.00 C ATOM 36210 N9 G B1684 -9.906 -85.746 23.437 1.00 0.00 N ATOM 36211 C8 G B1684 -10.727 -84.724 23.860 1.00 0.00 C ATOM 36212 N7 G B1684 -10.514 -83.581 23.251 1.00 0.00 N ATOM 36213 C5 G B1684 -9.479 -83.868 22.362 1.00 0.00 C ATOM 36214 C6 G B1684 -8.814 -83.028 21.430 1.00 0.00 C ATOM 36215 O6 G B1684 -9.006 -81.838 21.192 1.00 0.00 O ATOM 36216 N1 G B1684 -7.824 -83.727 20.726 1.00 0.00 N ATOM 36217 C2 G B1684 -7.513 -85.062 20.902 1.00 0.00 C ATOM 36218 N2 G B1684 -6.531 -85.540 20.134 1.00 0.00 N ATOM 36219 N3 G B1684 -8.136 -85.850 21.777 1.00 0.00 N ATOM 36220 C4 G B1684 -9.102 -85.186 22.467 1.00 0.00 C ATOM 36221 P C B1685 -7.442 -87.191 28.058 1.00 0.00 P ATOM 36222 O1P C B1685 -7.085 -87.992 29.251 1.00 0.00 O ATOM 36223 O2P C B1685 -7.929 -85.819 28.323 1.00 0.00 O ATOM 36224 O5* C B1685 -6.197 -87.137 27.050 1.00 0.00 O ATOM 36225 C5* C B1685 -5.619 -88.373 26.587 1.00 0.00 C ATOM 36226 C4* C B1685 -4.547 -88.090 25.557 1.00 0.00 C ATOM 36227 O4* C B1685 -5.178 -87.550 24.356 1.00 0.00 O ATOM 36228 C3* C B1685 -3.517 -87.030 25.939 1.00 0.00 C ATOM 36229 O3* C B1685 -2.491 -87.570 26.709 1.00 0.00 O ATOM 36230 C2* C B1685 -3.038 -86.540 24.577 1.00 0.00 C ATOM 36231 O2* C B1685 -2.150 -87.475 23.989 1.00 0.00 O ATOM 36232 C1* C B1685 -4.328 -86.581 23.764 1.00 0.00 C ATOM 36233 N1 C B1685 -5.059 -85.283 23.734 1.00 0.00 N ATOM 36234 C2 C B1685 -4.539 -84.263 22.943 1.00 0.00 C ATOM 36235 O2 C B1685 -3.500 -84.470 22.306 1.00 0.00 O ATOM 36236 N3 C B1685 -5.191 -83.072 22.906 1.00 0.00 N ATOM 36237 C4 C B1685 -6.312 -82.885 23.612 1.00 0.00 C ATOM 36238 N4 C B1685 -6.910 -81.705 23.538 1.00 0.00 N ATOM 36239 C5 C B1685 -6.863 -83.923 24.430 1.00 0.00 C ATOM 36240 C6 C B1685 -6.196 -85.104 24.456 1.00 0.00 C ATOM 36241 P C B1686 -1.802 -86.644 27.867 1.00 0.00 P ATOM 36242 O1P C B1686 -1.016 -87.485 28.795 1.00 0.00 O ATOM 36243 O2P C B1686 -2.837 -85.791 28.490 1.00 0.00 O ATOM 36244 O5* C B1686 -0.816 -85.744 26.984 1.00 0.00 O ATOM 36245 C5* C B1686 0.216 -86.388 26.213 1.00 0.00 C ATOM 36246 C4* C B1686 0.945 -85.365 25.366 1.00 0.00 C ATOM 36247 O4* C B1686 0.032 -84.867 24.344 1.00 0.00 O ATOM 36248 C3* C B1686 1.407 -84.103 26.094 1.00 0.00 C ATOM 36249 O3* C B1686 2.631 -84.296 26.725 1.00 0.00 O ATOM 36250 C2* C B1686 1.484 -83.088 24.953 1.00 0.00 C ATOM 36251 O2* C B1686 2.645 -83.302 24.169 1.00 0.00 O ATOM 36252 C1* C B1686 0.289 -83.494 24.099 1.00 0.00 C ATOM 36253 N1 C B1686 -0.955 -82.731 24.407 1.00 0.00 N ATOM 36254 C2 C B1686 -1.032 -81.411 23.971 1.00 0.00 C ATOM 36255 O2 C B1686 -0.075 -80.931 23.356 1.00 0.00 O ATOM 36256 N3 C B1686 -2.156 -80.701 24.243 1.00 0.00 N ATOM 36257 C4 C B1686 -3.171 -81.261 24.915 1.00 0.00 C ATOM 36258 N4 C B1686 -4.247 -80.523 25.153 1.00 0.00 N ATOM 36259 C5 C B1686 -3.111 -82.616 25.369 1.00 0.00 C ATOM 36260 C6 C B1686 -1.980 -83.310 25.089 1.00 0.00 C ATOM 36261 P G B1687 3.075 -84.514 28.515 1.00 0.00 P ATOM 36262 O1P G B1687 4.550 -84.628 28.466 1.00 0.00 O ATOM 36263 O2P G B1687 2.370 -85.628 29.187 1.00 0.00 O ATOM 36264 O5* G B1687 2.500 -82.952 29.300 1.00 0.00 O ATOM 36265 C5* G B1687 2.805 -82.228 30.535 1.00 0.00 C ATOM 36266 C4* G B1687 1.984 -82.763 31.847 1.00 0.00 C ATOM 36267 O4* G B1687 0.852 -83.622 31.526 1.00 0.00 O ATOM 36268 C3* G B1687 2.634 -83.446 33.051 1.00 0.00 C ATOM 36269 O3* G B1687 3.725 -82.707 33.848 1.00 0.00 O ATOM 36270 C2* G B1687 1.424 -83.991 33.800 1.00 0.00 C ATOM 36271 O2* G B1687 0.756 -82.953 34.496 1.00 0.00 O ATOM 36272 C1* G B1687 0.513 -84.413 32.655 1.00 0.00 C ATOM 36273 N9 G B1687 0.639 -86.076 32.210 1.00 0.00 N ATOM 36274 C8 G B1687 1.525 -86.681 31.339 1.00 0.00 C ATOM 36275 N7 G B1687 1.292 -87.959 31.147 1.00 0.00 N ATOM 36276 C5 G B1687 0.175 -88.216 31.944 1.00 0.00 C ATOM 36277 C6 G B1687 -0.537 -89.420 32.146 1.00 0.00 C ATOM 36278 O6 G B1687 -0.336 -90.530 31.663 1.00 0.00 O ATOM 36279 N1 G B1687 -1.608 -89.235 33.031 1.00 0.00 N ATOM 36280 C2 G B1687 -1.940 -88.046 33.648 1.00 0.00 C ATOM 36281 N2 G B1687 -2.996 -88.077 34.462 1.00 0.00 N ATOM 36282 N3 G B1687 -1.267 -86.915 33.454 1.00 0.00 N ATOM 36283 C4 G B1687 -0.230 -87.072 32.595 1.00 0.00 C ATOM 36284 P U B1688 3.584 -80.906 34.156 1.00 0.00 P ATOM 36285 O1P U B1688 2.266 -80.531 34.725 1.00 0.00 O ATOM 36286 O2P U B1688 4.042 -80.101 33.005 1.00 0.00 O ATOM 36287 O5* U B1688 4.874 -81.002 35.439 1.00 0.00 O ATOM 36288 C5* U B1688 6.304 -81.059 35.524 1.00 0.00 C ATOM 36289 C4* U B1688 7.012 -79.711 36.076 1.00 0.00 C ATOM 36290 O4* U B1688 7.867 -78.921 35.200 1.00 0.00 O ATOM 36291 C3* U B1688 6.365 -78.672 36.995 1.00 0.00 C ATOM 36292 O3* U B1688 5.610 -79.162 38.228 1.00 0.00 O ATOM 36293 C2* U B1688 7.496 -77.663 37.181 1.00 0.00 C ATOM 36294 O2* U B1688 8.467 -78.158 38.090 1.00 0.00 O ATOM 36295 C1* U B1688 8.146 -77.667 35.799 1.00 0.00 C ATOM 36296 N1 U B1688 7.601 -76.443 34.756 1.00 0.00 N ATOM 36297 C2 U B1688 7.878 -75.143 35.115 1.00 0.00 C ATOM 36298 O2 U B1688 8.508 -74.850 36.118 1.00 0.00 O ATOM 36299 N3 U B1688 7.395 -74.174 34.256 1.00 0.00 N ATOM 36300 C4 U B1688 6.676 -74.392 33.099 1.00 0.00 C ATOM 36301 O4 U B1688 6.298 -73.439 32.407 1.00 0.00 O ATOM 36302 C5 U B1688 6.437 -75.784 32.806 1.00 0.00 C ATOM 36303 C6 U B1688 6.893 -76.746 33.623 1.00 0.00 C ATOM 36304 P A B1689 3.809 -78.843 38.231 1.00 0.00 P ATOM 36305 O1P A B1689 3.139 -79.344 37.017 1.00 0.00 O ATOM 36306 O2P A B1689 3.493 -77.450 38.622 1.00 0.00 O ATOM 36307 O5* A B1689 3.610 -80.040 39.587 1.00 0.00 O ATOM 36308 C5* A B1689 3.096 -81.338 39.933 1.00 0.00 C ATOM 36309 C4* A B1689 1.945 -81.272 41.088 1.00 0.00 C ATOM 36310 O4* A B1689 2.376 -80.585 42.298 1.00 0.00 O ATOM 36311 C3* A B1689 0.540 -80.731 40.830 1.00 0.00 C ATOM 36312 O3* A B1689 -0.404 -81.527 39.877 1.00 0.00 O ATOM 36313 C2* A B1689 0.001 -80.571 42.252 1.00 0.00 C ATOM 36314 O2* A B1689 -0.367 -81.828 42.794 1.00 0.00 O ATOM 36315 C1* A B1689 1.243 -80.107 43.005 1.00 0.00 C ATOM 36316 N9 A B1689 1.386 -78.417 43.167 1.00 0.00 N ATOM 36317 C8 A B1689 2.101 -77.539 42.383 1.00 0.00 C ATOM 36318 N7 A B1689 1.886 -76.289 42.662 1.00 0.00 N ATOM 36319 C5 A B1689 0.966 -76.331 43.697 1.00 0.00 C ATOM 36320 C6 A B1689 0.333 -75.324 44.440 1.00 0.00 C ATOM 36321 N6 A B1689 0.540 -74.012 44.238 1.00 0.00 N ATOM 36322 N1 A B1689 -0.527 -75.709 45.399 1.00 0.00 N ATOM 36323 C2 A B1689 -0.731 -77.012 45.600 1.00 0.00 C ATOM 36324 N3 A B1689 -0.198 -78.035 44.969 1.00 0.00 N ATOM 36325 C4 A B1689 0.660 -77.623 44.011 1.00 0.00 C ATOM 36326 P A B1690 0.106 -81.980 38.165 1.00 0.00 P ATOM 36327 O1P A B1690 0.852 -83.255 38.135 1.00 0.00 O ATOM 36328 O2P A B1690 0.745 -80.838 37.474 1.00 0.00 O ATOM 36329 O5* A B1690 -1.605 -82.253 37.555 1.00 0.00 O ATOM 36330 C5* A B1690 -2.982 -82.615 37.293 1.00 0.00 C ATOM 36331 C4* A B1690 -3.823 -81.766 36.181 1.00 0.00 C ATOM 36332 O4* A B1690 -5.216 -81.433 36.449 1.00 0.00 O ATOM 36333 C3* A B1690 -3.315 -80.581 35.359 1.00 0.00 C ATOM 36334 O3* A B1690 -1.904 -80.431 34.838 1.00 0.00 O ATOM 36335 C2* A B1690 -4.539 -80.228 34.517 1.00 0.00 C ATOM 36336 O2* A B1690 -4.702 -81.150 33.452 1.00 0.00 O ATOM 36337 C1* A B1690 -5.673 -80.483 35.506 1.00 0.00 C ATOM 36338 N9 A B1690 -6.200 -79.109 36.347 1.00 0.00 N ATOM 36339 C8 A B1690 -5.610 -77.869 36.413 1.00 0.00 C ATOM 36340 N7 A B1690 -6.174 -77.059 37.260 1.00 0.00 N ATOM 36341 C5 A B1690 -7.208 -77.810 37.799 1.00 0.00 C ATOM 36342 C6 A B1690 -8.188 -77.521 38.761 1.00 0.00 C ATOM 36343 N6 A B1690 -8.288 -76.336 39.382 1.00 0.00 N ATOM 36344 N1 A B1690 -9.066 -78.493 39.065 1.00 0.00 N ATOM 36345 C2 A B1690 -8.966 -79.664 38.442 1.00 0.00 C ATOM 36346 N3 A B1690 -8.099 -80.051 37.534 1.00 0.00 N ATOM 36347 C4 A B1690 -7.231 -79.058 37.250 1.00 0.00 C ATOM 36348 P C B1691 -1.182 -78.922 35.563 1.00 0.00 P ATOM 36349 O1P C B1691 -1.870 -77.699 35.098 1.00 0.00 O ATOM 36350 O2P C B1691 0.294 -78.899 35.488 1.00 0.00 O ATOM 36351 O5* C B1691 -1.785 -79.445 37.191 1.00 0.00 O ATOM 36352 C5* C B1691 -2.445 -80.172 38.228 1.00 0.00 C ATOM 36353 C4* C B1691 -3.617 -79.329 38.918 1.00 0.00 C ATOM 36354 O4* C B1691 -4.796 -79.972 39.488 1.00 0.00 O ATOM 36355 C3* C B1691 -3.266 -78.240 39.930 1.00 0.00 C ATOM 36356 O3* C B1691 -2.330 -77.176 39.309 1.00 0.00 O ATOM 36357 C2* C B1691 -4.648 -77.780 40.395 1.00 0.00 C ATOM 36358 O2* C B1691 -5.261 -76.959 39.419 1.00 0.00 O ATOM 36359 C1* C B1691 -5.421 -79.096 40.413 1.00 0.00 C ATOM 36360 N1 C B1691 -5.475 -79.871 41.934 1.00 0.00 N ATOM 36361 C2 C B1691 -6.148 -79.225 42.966 1.00 0.00 C ATOM 36362 O2 C B1691 -6.678 -78.129 42.741 1.00 0.00 O ATOM 36363 N3 C B1691 -6.204 -79.821 44.187 1.00 0.00 N ATOM 36364 C4 C B1691 -5.620 -81.010 44.389 1.00 0.00 C ATOM 36365 N4 C B1691 -5.698 -81.549 45.596 1.00 0.00 N ATOM 36366 C5 C B1691 -4.922 -81.692 43.337 1.00 0.00 C ATOM 36367 C6 C B1691 -4.878 -81.078 42.128 1.00 0.00 C ATOM 36368 P U B1692 -0.516 -77.409 39.419 1.00 0.00 P ATOM 36369 O1P U B1692 0.005 -78.422 38.471 1.00 0.00 O ATOM 36370 O2P U B1692 -0.096 -77.569 40.828 1.00 0.00 O ATOM 36371 O5* U B1692 -0.151 -75.748 38.764 1.00 0.00 O ATOM 36372 C5* U B1692 -0.683 -74.517 38.287 1.00 0.00 C ATOM 36373 C4* U B1692 -1.826 -73.957 39.291 1.00 0.00 C ATOM 36374 O4* U B1692 -2.900 -74.888 39.623 1.00 0.00 O ATOM 36375 C3* U B1692 -1.492 -73.304 40.634 1.00 0.00 C ATOM 36376 O3* U B1692 -0.617 -72.038 40.597 1.00 0.00 O ATOM 36377 C2* U B1692 -2.862 -73.204 41.301 1.00 0.00 C ATOM 36378 O2* U B1692 -3.610 -72.143 40.746 1.00 0.00 O ATOM 36379 C1* U B1692 -3.518 -74.503 40.840 1.00 0.00 C ATOM 36380 N1 U B1692 -3.385 -75.802 41.947 1.00 0.00 N ATOM 36381 C2 U B1692 -4.523 -76.158 42.632 1.00 0.00 C ATOM 36382 O2 U B1692 -5.600 -75.621 42.455 1.00 0.00 O ATOM 36383 N3 U B1692 -4.363 -77.183 43.551 1.00 0.00 N ATOM 36384 C4 U B1692 -3.196 -77.856 43.832 1.00 0.00 C ATOM 36385 O4 U B1692 -3.179 -78.755 44.671 1.00 0.00 O ATOM 36386 C5 U B1692 -2.057 -77.413 43.062 1.00 0.00 C ATOM 36387 C6 U B1692 -2.180 -76.419 42.164 1.00 0.00 C ATOM 36388 P U B1693 1.152 -72.325 40.983 1.00 0.00 P ATOM 36389 O1P U B1693 1.774 -73.223 39.986 1.00 0.00 O ATOM 36390 O2P U B1693 1.358 -72.694 42.404 1.00 0.00 O ATOM 36391 O5* U B1693 1.631 -70.583 40.720 1.00 0.00 O ATOM 36392 C5* U B1693 2.315 -69.327 40.588 1.00 0.00 C ATOM 36393 C4* U B1693 3.714 -69.135 41.398 1.00 0.00 C ATOM 36394 O4* U B1693 4.148 -67.773 41.670 1.00 0.00 O ATOM 36395 C3* U B1693 4.181 -69.923 42.622 1.00 0.00 C ATOM 36396 O3* U B1693 4.031 -71.455 42.714 1.00 0.00 O ATOM 36397 C2* U B1693 5.509 -69.241 42.947 1.00 0.00 C ATOM 36398 O2* U B1693 6.522 -69.655 42.043 1.00 0.00 O ATOM 36399 C1* U B1693 5.194 -67.785 42.625 1.00 0.00 C ATOM 36400 N1 U B1693 4.708 -66.852 43.963 1.00 0.00 N ATOM 36401 C2 U B1693 5.398 -67.038 45.135 1.00 0.00 C ATOM 36402 O2 U B1693 6.288 -67.864 45.259 1.00 0.00 O ATOM 36403 N3 U B1693 5.018 -66.218 46.182 1.00 0.00 N ATOM 36404 C4 U B1693 4.035 -65.251 46.152 1.00 0.00 C ATOM 36405 O4 U B1693 3.782 -64.580 47.150 1.00 0.00 O ATOM 36406 C5 U B1693 3.365 -65.135 44.875 1.00 0.00 C ATOM 36407 C6 U B1693 3.716 -65.920 43.841 1.00 0.00 C ATOM 36408 P C B1694 5.041 -72.598 41.688 1.00 0.00 P ATOM 36409 O1P C B1694 6.491 -72.404 41.896 1.00 0.00 O ATOM 36410 O2P C B1694 4.588 -72.604 40.279 1.00 0.00 O ATOM 36411 O5* C B1694 4.451 -74.093 42.568 1.00 0.00 O ATOM 36412 C5* C B1694 4.471 -75.181 43.531 1.00 0.00 C ATOM 36413 C4* C B1694 4.709 -74.617 45.050 1.00 0.00 C ATOM 36414 O4* C B1694 4.823 -73.164 45.026 1.00 0.00 O ATOM 36415 C3* C B1694 3.780 -74.894 46.235 1.00 0.00 C ATOM 36416 O3* C B1694 4.079 -76.268 46.928 1.00 0.00 O ATOM 36417 C2* C B1694 4.193 -73.805 47.228 1.00 0.00 C ATOM 36418 O2* C B1694 5.424 -74.139 47.855 1.00 0.00 O ATOM 36419 C1* C B1694 4.481 -72.632 46.296 1.00 0.00 C ATOM 36420 N1 C B1694 3.167 -71.539 46.090 1.00 0.00 N ATOM 36421 C2 C B1694 1.932 -71.903 46.620 1.00 0.00 C ATOM 36422 O2 C B1694 1.829 -72.985 47.209 1.00 0.00 O ATOM 36423 N3 C B1694 0.884 -71.054 46.466 1.00 0.00 N ATOM 36424 C4 C B1694 1.035 -69.888 45.827 1.00 0.00 C ATOM 36425 N4 C B1694 -0.018 -69.099 45.706 1.00 0.00 N ATOM 36426 C5 C B1694 2.296 -69.495 45.276 1.00 0.00 C ATOM 36427 C6 C B1694 3.333 -70.358 45.433 1.00 0.00 C ATOM 36428 P G B1695 2.823 -77.460 47.555 1.00 0.00 P ATOM 36429 O1P G B1695 3.496 -78.764 47.735 1.00 0.00 O ATOM 36430 O2P G B1695 1.589 -77.476 46.736 1.00 0.00 O ATOM 36431 O5* G B1695 2.386 -76.687 49.174 1.00 0.00 O ATOM 36432 C5* G B1695 1.182 -77.203 49.847 1.00 0.00 C ATOM 36433 C4* G B1695 0.710 -76.429 51.200 1.00 0.00 C ATOM 36434 O4* G B1695 1.820 -76.147 52.094 1.00 0.00 O ATOM 36435 C3* G B1695 -0.067 -75.111 51.147 1.00 0.00 C ATOM 36436 O3* G B1695 -1.580 -75.129 50.633 1.00 0.00 O ATOM 36437 C2* G B1695 0.083 -74.599 52.579 1.00 0.00 C ATOM 36438 O2* G B1695 -0.776 -75.307 53.459 1.00 0.00 O ATOM 36439 C1* G B1695 1.509 -75.028 52.911 1.00 0.00 C ATOM 36440 N9 G B1695 2.726 -73.794 52.644 1.00 0.00 N ATOM 36441 C8 G B1695 2.762 -72.495 53.103 1.00 0.00 C ATOM 36442 N7 G B1695 3.793 -71.811 52.677 1.00 0.00 N ATOM 36443 C5 G B1695 4.490 -72.715 51.880 1.00 0.00 C ATOM 36444 C6 G B1695 5.691 -72.556 51.146 1.00 0.00 C ATOM 36445 O6 G B1695 6.406 -71.560 51.046 1.00 0.00 O ATOM 36446 N1 G B1695 6.046 -73.734 50.472 1.00 0.00 N ATOM 36447 C2 G B1695 5.331 -74.915 50.505 1.00 0.00 C ATOM 36448 N2 G B1695 5.834 -75.927 49.799 1.00 0.00 N ATOM 36449 N3 G B1695 4.202 -75.067 51.196 1.00 0.00 N ATOM 36450 C4 G B1695 3.843 -73.934 51.852 1.00 0.00 C ATOM 36451 P G B1696 -2.283 -75.280 48.883 1.00 0.00 P ATOM 36452 O1P G B1696 -3.323 -76.331 48.944 1.00 0.00 O ATOM 36453 O2P G B1696 -1.172 -75.526 47.939 1.00 0.00 O ATOM 36454 O5* G B1696 -3.195 -73.683 48.407 1.00 0.00 O ATOM 36455 C5* G B1696 -4.471 -72.836 48.260 1.00 0.00 C ATOM 36456 C4* G B1696 -4.840 -71.305 47.565 1.00 0.00 C ATOM 36457 O4* G B1696 -5.845 -71.394 46.512 1.00 0.00 O ATOM 36458 C3* G B1696 -5.325 -70.144 48.438 1.00 0.00 C ATOM 36459 O3* G B1696 -4.032 -69.330 48.899 1.00 0.00 O ATOM 36460 C2* G B1696 -5.914 -69.189 47.402 1.00 0.00 C ATOM 36461 O2* G B1696 -4.887 -68.502 46.708 1.00 0.00 O ATOM 36462 C1* G B1696 -6.548 -70.164 46.414 1.00 0.00 C ATOM 36463 N9 G B1696 -8.223 -70.474 46.681 1.00 0.00 N ATOM 36464 C8 G B1696 -9.126 -71.123 45.868 1.00 0.00 C ATOM 36465 N7 G B1696 -10.355 -71.113 46.332 1.00 0.00 N ATOM 36466 C5 G B1696 -10.258 -70.408 47.531 1.00 0.00 C ATOM 36467 C6 G B1696 -11.257 -70.073 48.478 1.00 0.00 C ATOM 36468 O6 G B1696 -12.457 -70.332 48.456 1.00 0.00 O ATOM 36469 N1 G B1696 -10.719 -69.349 49.553 1.00 0.00 N ATOM 36470 C2 G B1696 -9.390 -68.999 49.693 1.00 0.00 C ATOM 36471 N2 G B1696 -9.081 -68.306 50.792 1.00 0.00 N ATOM 36472 N3 G B1696 -8.453 -69.311 48.802 1.00 0.00 N ATOM 36473 C4 G B1696 -8.958 -70.013 47.751 1.00 0.00 C ATOM 36474 P G B1697 -2.590 -69.076 47.724 1.00 0.00 P ATOM 36475 O1P G B1697 -1.544 -68.650 48.677 1.00 0.00 O ATOM 36476 O2P G B1697 -2.777 -68.207 46.543 1.00 0.00 O ATOM 36477 O5* G B1697 -2.463 -70.788 47.015 1.00 0.00 O ATOM 36478 C5* G B1697 -2.180 -72.046 46.258 1.00 0.00 C ATOM 36479 C4* G B1697 -3.249 -72.807 45.205 1.00 0.00 C ATOM 36480 O4* G B1697 -3.864 -74.028 45.705 1.00 0.00 O ATOM 36481 C3* G B1697 -4.414 -72.041 44.575 1.00 0.00 C ATOM 36482 O3* G B1697 -4.162 -70.891 43.579 1.00 0.00 O ATOM 36483 C2* G B1697 -5.261 -73.166 43.985 1.00 0.00 C ATOM 36484 O2* G B1697 -4.680 -73.655 42.793 1.00 0.00 O ATOM 36485 C1* G B1697 -5.094 -74.258 45.039 1.00 0.00 C ATOM 36486 N9 G B1697 -6.367 -74.314 46.238 1.00 0.00 N ATOM 36487 C8 G B1697 -6.733 -73.363 47.166 1.00 0.00 C ATOM 36488 N7 G B1697 -7.694 -73.751 47.971 1.00 0.00 N ATOM 36489 C5 G B1697 -7.983 -75.046 47.548 1.00 0.00 C ATOM 36490 C6 G B1697 -8.939 -75.974 48.041 1.00 0.00 C ATOM 36491 O6 G B1697 -9.734 -75.846 48.968 1.00 0.00 O ATOM 36492 N1 G B1697 -8.896 -77.175 47.321 1.00 0.00 N ATOM 36493 C2 G B1697 -8.048 -77.444 46.257 1.00 0.00 C ATOM 36494 N2 G B1697 -8.166 -78.651 45.704 1.00 0.00 N ATOM 36495 N3 G B1697 -7.156 -76.570 45.801 1.00 0.00 N ATOM 36496 C4 G B1697 -7.181 -75.397 46.493 1.00 0.00 C ATOM 36497 P A B1698 -2.456 -70.344 43.219 1.00 0.00 P ATOM 36498 O1P A B1698 -1.490 -71.454 43.048 1.00 0.00 O ATOM 36499 O2P A B1698 -2.052 -69.279 44.165 1.00 0.00 O ATOM 36500 O5* A B1698 -2.964 -69.665 41.610 1.00 0.00 O ATOM 36501 C5* A B1698 -3.976 -69.582 40.607 1.00 0.00 C ATOM 36502 C4* A B1698 -3.462 -69.829 39.100 1.00 0.00 C ATOM 36503 O4* A B1698 -2.151 -69.449 38.595 1.00 0.00 O ATOM 36504 C3* A B1698 -3.985 -70.827 38.062 1.00 0.00 C ATOM 36505 O3* A B1698 -5.494 -71.146 38.143 1.00 0.00 O ATOM 36506 C2* A B1698 -3.443 -70.241 36.760 1.00 0.00 C ATOM 36507 O2* A B1698 -4.202 -69.116 36.358 1.00 0.00 O ATOM 36508 C1* A B1698 -2.077 -69.719 37.202 1.00 0.00 C ATOM 36509 N9 A B1698 -0.793 -70.788 36.935 1.00 0.00 N ATOM 36510 C8 A B1698 -0.362 -71.822 37.733 1.00 0.00 C ATOM 36511 N7 A B1698 0.753 -72.354 37.345 1.00 0.00 N ATOM 36512 C5 A B1698 1.096 -71.636 36.209 1.00 0.00 C ATOM 36513 C6 A B1698 2.181 -71.716 35.325 1.00 0.00 C ATOM 36514 N6 A B1698 3.180 -72.608 35.459 1.00 0.00 N ATOM 36515 N1 A B1698 2.212 -70.849 34.300 1.00 0.00 N ATOM 36516 C2 A B1698 1.224 -69.967 34.173 1.00 0.00 C ATOM 36517 N3 A B1698 0.164 -69.797 34.930 1.00 0.00 N ATOM 36518 C4 A B1698 0.156 -70.680 35.953 1.00 0.00 C ATOM 36519 P G B1699 -6.045 -72.866 38.458 1.00 0.00 P ATOM 36520 O1P G B1699 -6.408 -73.068 39.879 1.00 0.00 O ATOM 36521 O2P G B1699 -5.142 -73.884 37.876 1.00 0.00 O ATOM 36522 O5* G B1699 -7.528 -72.642 37.430 1.00 0.00 O ATOM 36523 C5* G B1699 -7.912 -71.682 36.454 1.00 0.00 C ATOM 36524 C4* G B1699 -6.728 -71.302 35.416 1.00 0.00 C ATOM 36525 O4* G B1699 -5.347 -71.698 35.652 1.00 0.00 O ATOM 36526 C3* G B1699 -6.910 -71.473 33.907 1.00 0.00 C ATOM 36527 O3* G B1699 -8.078 -70.565 33.506 1.00 0.00 O ATOM 36528 C2* G B1699 -5.541 -71.057 33.371 1.00 0.00 C ATOM 36529 O2* G B1699 -5.400 -69.643 33.399 1.00 0.00 O ATOM 36530 C1* G B1699 -4.608 -71.612 34.443 1.00 0.00 C ATOM 36531 N9 G B1699 -3.960 -73.168 34.094 1.00 0.00 N ATOM 36532 C8 G B1699 -4.471 -74.411 34.399 1.00 0.00 C ATOM 36533 N7 G B1699 -3.670 -75.406 34.093 1.00 0.00 N ATOM 36534 C5 G B1699 -2.554 -74.777 33.544 1.00 0.00 C ATOM 36535 C6 G B1699 -1.353 -75.332 33.030 1.00 0.00 C ATOM 36536 O6 G B1699 -1.022 -76.510 32.947 1.00 0.00 O ATOM 36537 N1 G B1699 -0.485 -74.332 32.573 1.00 0.00 N ATOM 36538 C2 G B1699 -0.738 -72.972 32.609 1.00 0.00 C ATOM 36539 N2 G B1699 0.221 -72.185 32.126 1.00 0.00 N ATOM 36540 N3 G B1699 -1.864 -72.458 33.094 1.00 0.00 N ATOM 36541 C4 G B1699 -2.718 -73.412 33.542 1.00 0.00 C ATOM 36542 P A B1700 -9.165 -71.315 32.285 1.00 0.00 P ATOM 36543 O1P A B1700 -10.545 -71.546 32.782 1.00 0.00 O ATOM 36544 O2P A B1700 -8.521 -72.473 31.621 1.00 0.00 O ATOM 36545 O5* A B1700 -9.014 -69.748 31.373 1.00 0.00 O ATOM 36546 C5* A B1700 -8.944 -68.376 30.887 1.00 0.00 C ATOM 36547 C4* A B1700 -7.472 -67.915 30.326 1.00 0.00 C ATOM 36548 O4* A B1700 -6.381 -68.610 30.995 1.00 0.00 O ATOM 36549 C3* A B1700 -7.078 -67.933 28.850 1.00 0.00 C ATOM 36550 O3* A B1700 -7.814 -66.907 27.956 1.00 0.00 O ATOM 36551 C2* A B1700 -5.560 -67.779 28.923 1.00 0.00 C ATOM 36552 O2* A B1700 -5.207 -66.435 29.205 1.00 0.00 O ATOM 36553 C1* A B1700 -5.226 -68.594 30.169 1.00 0.00 C ATOM 36554 N9 A B1700 -4.769 -70.194 29.864 1.00 0.00 N ATOM 36555 C8 A B1700 -5.516 -71.340 30.016 1.00 0.00 C ATOM 36556 N7 A B1700 -4.839 -72.436 29.850 1.00 0.00 N ATOM 36557 C5 A B1700 -3.552 -71.997 29.575 1.00 0.00 C ATOM 36558 C6 A B1700 -2.356 -72.679 29.300 1.00 0.00 C ATOM 36559 N6 A B1700 -2.260 -74.014 29.255 1.00 0.00 N ATOM 36560 N1 A B1700 -1.256 -71.937 29.069 1.00 0.00 N ATOM 36561 C2 A B1700 -1.361 -70.608 29.111 1.00 0.00 C ATOM 36562 N3 A B1700 -2.415 -69.863 29.355 1.00 0.00 N ATOM 36563 C4 A B1700 -3.499 -70.631 29.581 1.00 0.00 C ATOM 36564 P A B1701 -7.801 -67.046 26.117 1.00 0.00 P ATOM 36565 O1P A B1701 -7.949 -65.704 25.520 1.00 0.00 O ATOM 36566 O2P A B1701 -8.731 -68.087 25.624 1.00 0.00 O ATOM 36567 O5* A B1701 -6.078 -67.634 26.037 1.00 0.00 O ATOM 36568 C5* A B1701 -5.042 -67.517 25.054 1.00 0.00 C ATOM 36569 C4* A B1701 -4.300 -68.893 24.649 1.00 0.00 C ATOM 36570 O4* A B1701 -3.159 -69.436 25.380 1.00 0.00 O ATOM 36571 C3* A B1701 -4.457 -69.843 23.459 1.00 0.00 C ATOM 36572 O3* A B1701 -5.443 -69.376 22.380 1.00 0.00 O ATOM 36573 C2* A B1701 -3.008 -70.190 23.133 1.00 0.00 C ATOM 36574 O2* A B1701 -2.373 -69.118 22.452 1.00 0.00 O ATOM 36575 C1* A B1701 -2.384 -70.255 24.525 1.00 0.00 C ATOM 36576 N9 A B1701 -2.313 -71.810 25.196 1.00 0.00 N ATOM 36577 C8 A B1701 -3.319 -72.523 25.810 1.00 0.00 C ATOM 36578 N7 A B1701 -2.913 -73.618 26.377 1.00 0.00 N ATOM 36579 C5 A B1701 -1.551 -73.644 26.124 1.00 0.00 C ATOM 36580 C6 A B1701 -0.543 -74.558 26.464 1.00 0.00 C ATOM 36581 N6 A B1701 -0.765 -75.678 27.167 1.00 0.00 N ATOM 36582 N1 A B1701 0.709 -74.284 26.060 1.00 0.00 N ATOM 36583 C2 A B1701 0.925 -73.169 25.361 1.00 0.00 C ATOM 36584 N3 A B1701 0.070 -72.244 24.987 1.00 0.00 N ATOM 36585 C4 A B1701 -1.179 -72.546 25.408 1.00 0.00 C ATOM 36586 P G B1702 -6.375 -70.511 21.268 1.00 0.00 P ATOM 36587 O1P G B1702 -6.891 -69.661 20.172 1.00 0.00 O ATOM 36588 O2P G B1702 -7.357 -71.428 21.888 1.00 0.00 O ATOM 36589 O5* G B1702 -5.105 -71.341 20.759 1.00 0.00 O ATOM 36590 C5* G B1702 -3.984 -70.630 20.199 1.00 0.00 C ATOM 36591 C4* G B1702 -2.854 -71.595 19.904 1.00 0.00 C ATOM 36592 O4* G B1702 -2.328 -72.104 21.163 1.00 0.00 O ATOM 36593 C3* G B1702 -3.242 -72.856 19.128 1.00 0.00 C ATOM 36594 O3* G B1702 -3.266 -72.626 17.755 1.00 0.00 O ATOM 36595 C2* G B1702 -2.144 -73.834 19.542 1.00 0.00 C ATOM 36596 O2* G B1702 -0.933 -73.546 18.863 1.00 0.00 O ATOM 36597 C1* G B1702 -1.931 -73.458 21.005 1.00 0.00 C ATOM 36598 N9 G B1702 -2.728 -74.283 21.955 1.00 0.00 N ATOM 36599 C8 G B1702 -3.856 -73.940 22.673 1.00 0.00 C ATOM 36600 N7 G B1702 -4.319 -74.907 23.429 1.00 0.00 N ATOM 36601 C5 G B1702 -3.441 -75.964 23.196 1.00 0.00 C ATOM 36602 C6 G B1702 -3.428 -77.276 23.730 1.00 0.00 C ATOM 36603 O6 G B1702 -4.203 -77.789 24.534 1.00 0.00 O ATOM 36604 N1 G B1702 -2.358 -78.026 23.223 1.00 0.00 N ATOM 36605 C2 G B1702 -1.421 -77.566 22.317 1.00 0.00 C ATOM 36606 N2 G B1702 -0.479 -78.437 21.955 1.00 0.00 N ATOM 36607 N3 G B1702 -1.433 -76.334 21.815 1.00 0.00 N ATOM 36608 C4 G B1702 -2.466 -75.593 22.298 1.00 0.00 C ATOM 36609 P G B1703 -4.360 -73.426 16.844 1.00 0.00 P ATOM 36610 O1P G B1703 -4.479 -72.791 15.512 1.00 0.00 O ATOM 36611 O2P G B1703 -5.621 -73.569 17.605 1.00 0.00 O ATOM 36612 O5* G B1703 -3.648 -74.852 16.704 1.00 0.00 O ATOM 36613 C5* G B1703 -2.356 -74.926 16.070 1.00 0.00 C ATOM 36614 C4* G B1703 -1.818 -76.341 16.156 1.00 0.00 C ATOM 36615 O4* G B1703 -1.521 -76.647 17.549 1.00 0.00 O ATOM 36616 C3* G B1703 -2.783 -77.448 15.732 1.00 0.00 C ATOM 36617 O3* G B1703 -2.770 -77.636 14.351 1.00 0.00 O ATOM 36618 C2* G B1703 -2.244 -78.654 16.498 1.00 0.00 C ATOM 36619 O2* G B1703 -1.076 -79.160 15.877 1.00 0.00 O ATOM 36620 C1* G B1703 -1.806 -78.013 17.812 1.00 0.00 C ATOM 36621 N9 G B1703 -2.845 -78.068 18.879 1.00 0.00 N ATOM 36622 C8 G B1703 -3.645 -77.058 19.369 1.00 0.00 C ATOM 36623 N7 G B1703 -4.463 -77.440 20.321 1.00 0.00 N ATOM 36624 C5 G B1703 -4.188 -78.800 20.468 1.00 0.00 C ATOM 36625 C6 G B1703 -4.756 -79.757 21.348 1.00 0.00 C ATOM 36626 O6 G B1703 -5.636 -79.600 22.187 1.00 0.00 O ATOM 36627 N1 G B1703 -4.183 -81.023 21.166 1.00 0.00 N ATOM 36628 C2 G B1703 -3.189 -81.324 20.257 1.00 0.00 C ATOM 36629 N2 G B1703 -2.777 -82.594 20.238 1.00 0.00 N ATOM 36630 N3 G B1703 -2.656 -80.425 19.431 1.00 0.00 N ATOM 36631 C4 G B1703 -3.200 -79.191 19.594 1.00 0.00 C ATOM 36632 P C B1704 -4.157 -78.072 13.606 1.00 0.00 P ATOM 36633 O1P C B1704 -4.037 -77.867 12.144 1.00 0.00 O ATOM 36634 O2P C B1704 -5.299 -77.398 14.260 1.00 0.00 O ATOM 36635 O5* C B1704 -4.192 -79.638 13.932 1.00 0.00 O ATOM 36636 C5* C B1704 -3.118 -80.474 13.464 1.00 0.00 C ATOM 36637 C4* C B1704 -3.292 -81.885 13.987 1.00 0.00 C ATOM 36638 O4* C B1704 -3.100 -81.879 15.431 1.00 0.00 O ATOM 36639 C3* C B1704 -4.682 -82.498 13.803 1.00 0.00 C ATOM 36640 O3* C B1704 -4.830 -83.060 12.539 1.00 0.00 O ATOM 36641 C2* C B1704 -4.723 -83.539 14.921 1.00 0.00 C ATOM 36642 O2* C B1704 -3.954 -84.679 14.574 1.00 0.00 O ATOM 36643 C1* C B1704 -3.970 -82.821 16.037 1.00 0.00 C ATOM 36644 N1 C B1704 -4.860 -82.086 16.981 1.00 0.00 N ATOM 36645 C2 C B1704 -5.598 -82.834 17.893 1.00 0.00 C ATOM 36646 O2 C B1704 -5.487 -84.067 17.884 1.00 0.00 O ATOM 36647 N3 C B1704 -6.414 -82.183 18.761 1.00 0.00 N ATOM 36648 C4 C B1704 -6.506 -80.846 18.740 1.00 0.00 C ATOM 36649 N4 C B1704 -7.315 -80.260 19.609 1.00 0.00 N ATOM 36650 C5 C B1704 -5.753 -80.060 17.810 1.00 0.00 C ATOM 36651 C6 C B1704 -4.946 -80.728 16.953 1.00 0.00 C ATOM 36652 P A B1705 -6.296 -83.006 11.822 1.00 0.00 P ATOM 36653 O1P A B1705 -6.174 -83.310 10.379 1.00 0.00 O ATOM 36654 O2P A B1705 -6.961 -81.729 12.158 1.00 0.00 O ATOM 36655 O5* A B1705 -7.036 -84.214 12.566 1.00 0.00 O ATOM 36656 C5* A B1705 -6.497 -85.544 12.447 1.00 0.00 C ATOM 36657 C4* A B1705 -7.279 -86.501 13.325 1.00 0.00 C ATOM 36658 O4* A B1705 -7.028 -86.168 14.723 1.00 0.00 O ATOM 36659 C3* A B1705 -8.800 -86.434 13.198 1.00 0.00 C ATOM 36660 O3* A B1705 -9.257 -87.205 12.131 1.00 0.00 O ATOM 36661 C2* A B1705 -9.261 -86.968 14.552 1.00 0.00 C ATOM 36662 O2* A B1705 -9.128 -88.380 14.605 1.00 0.00 O ATOM 36663 C1* A B1705 -8.204 -86.387 15.487 1.00 0.00 C ATOM 36664 N9 A B1705 -8.600 -85.091 16.104 1.00 0.00 N ATOM 36665 C8 A B1705 -8.154 -83.822 15.817 1.00 0.00 C ATOM 36666 N7 A B1705 -8.701 -82.895 16.541 1.00 0.00 N ATOM 36667 C5 A B1705 -9.573 -83.586 17.370 1.00 0.00 C ATOM 36668 C6 A B1705 -10.457 -83.166 18.379 1.00 0.00 C ATOM 36669 N6 A B1705 -10.613 -81.885 18.737 1.00 0.00 N ATOM 36670 N1 A B1705 -11.174 -84.116 19.007 1.00 0.00 N ATOM 36671 C2 A B1705 -11.013 -85.388 18.646 1.00 0.00 C ATOM 36672 N3 A B1705 -10.223 -85.895 17.724 1.00 0.00 N ATOM 36673 C4 A B1705 -9.518 -84.924 17.110 1.00 0.00 C ATOM 36674 P C B1706 -10.568 -86.695 11.302 1.00 0.00 P ATOM 36675 O1P C B1706 -10.673 -87.423 10.015 1.00 0.00 O ATOM 36676 O2P C B1706 -10.548 -85.218 11.204 1.00 0.00 O ATOM 36677 O5* C B1706 -11.745 -87.160 12.280 1.00 0.00 O ATOM 36678 C5* C B1706 -11.888 -88.559 12.587 1.00 0.00 C ATOM 36679 C4* C B1706 -12.976 -88.752 13.625 1.00 0.00 C ATOM 36680 O4* C B1706 -12.529 -88.185 14.890 1.00 0.00 O ATOM 36681 C3* C B1706 -14.297 -88.037 13.345 1.00 0.00 C ATOM 36682 O3* C B1706 -15.116 -88.784 12.499 1.00 0.00 O ATOM 36683 C2* C B1706 -14.882 -87.888 14.750 1.00 0.00 C ATOM 36684 O2* C B1706 -15.415 -89.121 15.204 1.00 0.00 O ATOM 36685 C1* C B1706 -13.631 -87.611 15.574 1.00 0.00 C ATOM 36686 N1 C B1706 -13.350 -86.163 15.769 1.00 0.00 N ATOM 36687 C2 C B1706 -14.153 -85.460 16.663 1.00 0.00 C ATOM 36688 O2 C B1706 -15.056 -86.060 17.254 1.00 0.00 O ATOM 36689 N3 C B1706 -13.911 -84.137 16.855 1.00 0.00 N ATOM 36690 C4 C B1706 -12.922 -83.521 16.196 1.00 0.00 C ATOM 36691 N4 C B1706 -12.728 -82.230 16.418 1.00 0.00 N ATOM 36692 C5 C B1706 -12.083 -84.227 15.272 1.00 0.00 C ATOM 36693 C6 C B1706 -12.341 -85.548 15.095 1.00 0.00 C ATOM 36694 P G B1707 -15.237 -88.986 10.705 1.00 0.00 P ATOM 36695 O1P G B1707 -15.818 -90.177 10.050 1.00 0.00 O ATOM 36696 O2P G B1707 -13.907 -88.562 10.212 1.00 0.00 O ATOM 36697 O5* G B1707 -16.264 -87.760 10.615 1.00 0.00 O ATOM 36698 C5* G B1707 -17.599 -87.928 11.128 1.00 0.00 C ATOM 36699 C4* G B1707 -18.353 -86.616 11.053 1.00 0.00 C ATOM 36700 O4* G B1707 -17.755 -85.675 11.992 1.00 0.00 O ATOM 36701 C3* G B1707 -18.287 -85.886 9.712 1.00 0.00 C ATOM 36702 O3* G B1707 -19.245 -86.367 8.823 1.00 0.00 O ATOM 36703 C2* G B1707 -18.538 -84.438 10.122 1.00 0.00 C ATOM 36704 O2* G B1707 -19.911 -84.225 10.398 1.00 0.00 O ATOM 36705 C1* G B1707 -17.802 -84.364 11.453 1.00 0.00 C ATOM 36706 N9 G B1707 -16.403 -83.864 11.339 1.00 0.00 N ATOM 36707 C8 G B1707 -15.217 -84.561 11.425 1.00 0.00 C ATOM 36708 N7 G B1707 -14.148 -83.818 11.276 1.00 0.00 N ATOM 36709 C5 G B1707 -14.660 -82.536 11.071 1.00 0.00 C ATOM 36710 C6 G B1707 -13.986 -81.309 10.848 1.00 0.00 C ATOM 36711 O6 G B1707 -12.779 -81.093 10.785 1.00 0.00 O ATOM 36712 N1 G B1707 -14.892 -80.249 10.693 1.00 0.00 N ATOM 36713 C2 G B1707 -16.268 -80.364 10.745 1.00 0.00 C ATOM 36714 N2 G B1707 -16.956 -79.233 10.571 1.00 0.00 N ATOM 36715 N3 G B1707 -16.898 -81.515 10.953 1.00 0.00 N ATOM 36716 C4 G B1707 -16.034 -82.555 11.107 1.00 0.00 C ATOM 36717 P C B1708 -18.890 -86.400 7.228 1.00 0.00 P ATOM 36718 O1P C B1708 -19.855 -87.263 6.507 1.00 0.00 O ATOM 36719 O2P C B1708 -17.461 -86.744 7.050 1.00 0.00 O ATOM 36720 O5* C B1708 -19.134 -84.871 6.832 1.00 0.00 O ATOM 36721 C5* C B1708 -20.444 -84.302 7.015 1.00 0.00 C ATOM 36722 C4* C B1708 -20.414 -82.820 6.698 1.00 0.00 C ATOM 36723 O4* C B1708 -19.615 -82.136 7.707 1.00 0.00 O ATOM 36724 C3* C B1708 -19.747 -82.435 5.376 1.00 0.00 C ATOM 36725 O3* C B1708 -20.633 -82.541 4.306 1.00 0.00 O ATOM 36726 C2* C B1708 -19.315 -80.995 5.644 1.00 0.00 C ATOM 36727 O2* C B1708 -20.424 -80.116 5.572 1.00 0.00 O ATOM 36728 C1* C B1708 -18.902 -81.065 7.112 1.00 0.00 C ATOM 36729 N1 C B1708 -17.448 -81.313 7.310 1.00 0.00 N ATOM 36730 C2 C B1708 -16.569 -80.262 7.062 1.00 0.00 C ATOM 36731 O2 C B1708 -17.028 -79.176 6.691 1.00 0.00 O ATOM 36732 N3 C B1708 -15.239 -80.467 7.237 1.00 0.00 N ATOM 36733 C4 C B1708 -14.779 -81.657 7.641 1.00 0.00 C ATOM 36734 N4 C B1708 -13.472 -81.807 7.798 1.00 0.00 N ATOM 36735 C5 C B1708 -15.666 -82.753 7.903 1.00 0.00 C ATOM 36736 C6 C B1708 -16.990 -82.527 7.720 1.00 0.00 C ATOM 36737 P U B1709 -20.053 -82.997 2.849 1.00 0.00 P ATOM 36738 O1P U B1709 -21.164 -83.404 1.959 1.00 0.00 O ATOM 36739 O2P U B1709 -18.980 -83.998 3.037 1.00 0.00 O ATOM 36740 O5* U B1709 -19.423 -81.620 2.334 1.00 0.00 O ATOM 36741 C5* U B1709 -20.281 -80.476 2.168 1.00 0.00 C ATOM 36742 C4* U B1709 -19.461 -79.259 1.795 1.00 0.00 C ATOM 36743 O4* U B1709 -18.633 -78.883 2.933 1.00 0.00 O ATOM 36744 C3* U B1709 -18.461 -79.453 0.657 1.00 0.00 C ATOM 36745 O3* U B1709 -19.064 -79.298 -0.588 1.00 0.00 O ATOM 36746 C2* U B1709 -17.427 -78.367 0.951 1.00 0.00 C ATOM 36747 O2* U B1709 -17.917 -77.092 0.569 1.00 0.00 O ATOM 36748 C1* U B1709 -17.384 -78.388 2.476 1.00 0.00 C ATOM 36749 N1 U B1709 -16.312 -79.260 3.032 1.00 0.00 N ATOM 36750 C2 U B1709 -15.021 -78.797 2.947 1.00 0.00 C ATOM 36751 O2 U B1709 -14.733 -77.721 2.445 1.00 0.00 O ATOM 36752 N3 U B1709 -14.054 -79.630 3.474 1.00 0.00 N ATOM 36753 C4 U B1709 -14.267 -80.860 4.062 1.00 0.00 C ATOM 36754 O4 U B1709 -13.320 -81.519 4.500 1.00 0.00 O ATOM 36755 C5 U B1709 -15.654 -81.262 4.106 1.00 0.00 C ATOM 36756 C6 U B1709 -16.613 -80.470 3.600 1.00 0.00 C ATOM 36757 P G B1710 -18.528 -80.203 -1.839 1.00 0.00 P ATOM 36758 O1P G B1710 -19.506 -80.171 -2.950 1.00 0.00 O ATOM 36759 O2P G B1710 -18.153 -81.547 -1.348 1.00 0.00 O ATOM 36760 O5* G B1710 -17.212 -79.388 -2.254 1.00 0.00 O ATOM 36761 C5* G B1710 -17.341 -78.021 -2.677 1.00 0.00 C ATOM 36762 C4* G B1710 -15.972 -77.413 -2.898 1.00 0.00 C ATOM 36763 O4* G B1710 -15.293 -77.297 -1.615 1.00 0.00 O ATOM 36764 C3* G B1710 -15.007 -78.240 -3.751 1.00 0.00 C ATOM 36765 O3* G B1710 -15.208 -78.020 -5.113 1.00 0.00 O ATOM 36766 C2* G B1710 -13.646 -77.740 -3.270 1.00 0.00 C ATOM 36767 O2* G B1710 -13.356 -76.468 -3.818 1.00 0.00 O ATOM 36768 C1* G B1710 -13.904 -77.533 -1.779 1.00 0.00 C ATOM 36769 N9 G B1710 -13.534 -78.707 -0.940 1.00 0.00 N ATOM 36770 C8 G B1710 -14.349 -79.628 -0.322 1.00 0.00 C ATOM 36771 N7 G B1710 -13.703 -80.548 0.352 1.00 0.00 N ATOM 36772 C5 G B1710 -12.361 -80.213 0.166 1.00 0.00 C ATOM 36773 C6 G B1710 -11.186 -80.841 0.651 1.00 0.00 C ATOM 36774 O6 G B1710 -11.084 -81.840 1.360 1.00 0.00 O ATOM 36775 N1 G B1710 -10.033 -80.169 0.222 1.00 0.00 N ATOM 36776 C2 G B1710 -10.015 -79.041 -0.572 1.00 0.00 C ATOM 36777 N2 G B1710 -8.812 -78.552 -0.873 1.00 0.00 N ATOM 36778 N3 G B1710 -11.119 -78.452 -1.030 1.00 0.00 N ATOM 36779 C4 G B1710 -12.249 -79.090 -0.621 1.00 0.00 C ATOM 36780 P A B1711 -14.972 -79.257 -6.149 1.00 0.00 P ATOM 36781 O1P A B1711 -15.579 -78.946 -7.464 1.00 0.00 O ATOM 36782 O2P A B1711 -15.415 -80.523 -5.519 1.00 0.00 O ATOM 36783 O5* A B1711 -13.377 -79.245 -6.275 1.00 0.00 O ATOM 36784 C5* A B1711 -12.727 -78.063 -6.782 1.00 0.00 C ATOM 36785 C4* A B1711 -11.223 -78.223 -6.695 1.00 0.00 C ATOM 36786 O4* A B1711 -10.831 -78.237 -5.293 1.00 0.00 O ATOM 36787 C3* A B1711 -10.658 -79.533 -7.249 1.00 0.00 C ATOM 36788 O3* A B1711 -10.467 -79.466 -8.626 1.00 0.00 O ATOM 36789 C2* A B1711 -9.346 -79.667 -6.478 1.00 0.00 C ATOM 36790 O2* A B1711 -8.363 -78.790 -7.001 1.00 0.00 O ATOM 36791 C1* A B1711 -9.740 -79.125 -5.107 1.00 0.00 C ATOM 36792 N9 A B1711 -10.163 -80.182 -4.147 1.00 0.00 N ATOM 36793 C8 A B1711 -11.430 -80.491 -3.700 1.00 0.00 C ATOM 36794 N7 A B1711 -11.467 -81.475 -2.857 1.00 0.00 N ATOM 36795 C5 A B1711 -10.139 -81.852 -2.724 1.00 0.00 C ATOM 36796 C6 A B1711 -9.507 -82.852 -1.967 1.00 0.00 C ATOM 36797 N6 A B1711 -10.168 -83.692 -1.154 1.00 0.00 N ATOM 36798 N1 A B1711 -8.171 -82.957 -2.067 1.00 0.00 N ATOM 36799 C2 A B1711 -7.520 -82.120 -2.876 1.00 0.00 C ATOM 36800 N3 A B1711 -7.999 -81.152 -3.628 1.00 0.00 N ATOM 36801 C4 A B1711 -9.339 -81.071 -3.509 1.00 0.00 C ATOM 36802 P U B1712 -10.690 -80.816 -9.518 1.00 0.00 P ATOM 36803 O1P U B1712 -10.803 -80.471 -10.950 1.00 0.00 O ATOM 36804 O2P U B1712 -11.810 -81.600 -8.951 1.00 0.00 O ATOM 36805 O5* U B1712 -9.306 -81.579 -9.252 1.00 0.00 O ATOM 36806 C5* U B1712 -8.076 -80.948 -9.645 1.00 0.00 C ATOM 36807 C4* U B1712 -6.894 -81.783 -9.192 1.00 0.00 C ATOM 36808 O4* U B1712 -6.830 -81.756 -7.735 1.00 0.00 O ATOM 36809 C3* U B1712 -6.966 -83.274 -9.527 1.00 0.00 C ATOM 36810 O3* U B1712 -6.514 -83.528 -10.820 1.00 0.00 O ATOM 36811 C2* U B1712 -6.066 -83.887 -8.457 1.00 0.00 C ATOM 36812 O2* U B1712 -4.699 -83.676 -8.769 1.00 0.00 O ATOM 36813 C1* U B1712 -6.384 -83.011 -7.249 1.00 0.00 C ATOM 36814 N1 U B1712 -7.449 -83.569 -6.368 1.00 0.00 N ATOM 36815 C2 U B1712 -7.107 -84.638 -5.575 1.00 0.00 C ATOM 36816 O2 U B1712 -5.989 -85.130 -5.569 1.00 0.00 O ATOM 36817 N3 U B1712 -8.120 -85.127 -4.774 1.00 0.00 N ATOM 36818 C4 U B1712 -9.413 -84.653 -4.701 1.00 0.00 C ATOM 36819 O4 U B1712 -10.232 -85.175 -3.946 1.00 0.00 O ATOM 36820 C5 U B1712 -9.674 -83.530 -5.574 1.00 0.00 C ATOM 36821 C6 U B1712 -8.708 -83.035 -6.364 1.00 0.00 C ATOM 36822 P A B1713 -7.634 -83.630 -12.221 1.00 0.00 P ATOM 36823 O1P A B1713 -7.008 -83.193 -13.491 1.00 0.00 O ATOM 36824 O2P A B1713 -8.988 -83.100 -11.951 1.00 0.00 O ATOM 36825 O5* A B1713 -7.427 -85.403 -11.927 1.00 0.00 O ATOM 36826 C5* A B1713 -6.558 -85.646 -10.773 1.00 0.00 C ATOM 36827 C4* A B1713 -7.381 -86.233 -9.485 1.00 0.00 C ATOM 36828 O4* A B1713 -8.610 -85.659 -8.953 1.00 0.00 O ATOM 36829 C3* A B1713 -7.794 -87.631 -9.931 1.00 0.00 C ATOM 36830 O3* A B1713 -6.383 -88.265 -10.118 1.00 0.00 O ATOM 36831 C2* A B1713 -8.815 -88.023 -8.863 1.00 0.00 C ATOM 36832 O2* A B1713 -8.171 -88.382 -7.657 1.00 0.00 O ATOM 36833 C1* A B1713 -9.519 -86.692 -8.614 1.00 0.00 C ATOM 36834 N9 A B1713 -10.935 -86.468 -9.503 1.00 0.00 N ATOM 36835 C8 A B1713 -11.176 -85.560 -10.510 1.00 0.00 C ATOM 36836 N7 A B1713 -12.416 -85.499 -10.881 1.00 0.00 N ATOM 36837 C5 A B1713 -13.052 -86.430 -10.070 1.00 0.00 C ATOM 36838 C6 A B1713 -14.393 -86.842 -9.967 1.00 0.00 C ATOM 36839 N6 A B1713 -15.380 -86.343 -10.728 1.00 0.00 N ATOM 36840 N1 A B1713 -14.681 -87.785 -9.055 1.00 0.00 N ATOM 36841 C2 A B1713 -13.696 -88.279 -8.300 1.00 0.00 C ATOM 36842 N3 A B1713 -12.417 -87.974 -8.303 1.00 0.00 N ATOM 36843 C4 A B1713 -12.157 -87.024 -9.228 1.00 0.00 C ATOM 36844 P U B1714 -6.448 -89.681 -11.262 1.00 0.00 P ATOM 36845 O1P U B1714 -7.532 -89.479 -12.257 1.00 0.00 O ATOM 36846 O2P U B1714 -6.550 -90.905 -10.439 1.00 0.00 O ATOM 36847 O5* U B1714 -4.753 -89.736 -11.989 1.00 0.00 O ATOM 36848 C5* U B1714 -4.177 -90.994 -12.519 1.00 0.00 C ATOM 36849 C4* U B1714 -5.063 -91.664 -13.771 1.00 0.00 C ATOM 36850 O4* U B1714 -6.464 -91.297 -13.624 1.00 0.00 O ATOM 36851 C3* U B1714 -4.701 -91.174 -15.175 1.00 0.00 C ATOM 36852 O3* U B1714 -3.419 -91.825 -15.737 1.00 0.00 O ATOM 36853 C2* U B1714 -5.987 -91.439 -15.946 1.00 0.00 C ATOM 36854 O2* U B1714 -6.118 -92.821 -16.247 1.00 0.00 O ATOM 36855 C1* U B1714 -7.048 -91.107 -14.901 1.00 0.00 C ATOM 36856 N1 U B1714 -7.658 -89.502 -14.983 1.00 0.00 N ATOM 36857 C2 U B1714 -8.956 -89.350 -15.398 1.00 0.00 C ATOM 36858 O2 U B1714 -9.644 -90.279 -15.791 1.00 0.00 O ATOM 36859 N3 U B1714 -9.449 -88.058 -15.351 1.00 0.00 N ATOM 36860 C4 U B1714 -8.765 -86.938 -14.926 1.00 0.00 C ATOM 36861 O4 U B1714 -9.313 -85.831 -14.926 1.00 0.00 O ATOM 36862 C5 U B1714 -7.410 -87.198 -14.509 1.00 0.00 C ATOM 36863 C6 U B1714 -6.903 -88.442 -14.551 1.00 0.00 C ATOM 36864 P G B1715 -2.479 -93.035 -14.718 1.00 0.00 P ATOM 36865 O1P G B1715 -2.041 -94.182 -15.542 1.00 0.00 O ATOM 36866 O2P G B1715 -3.142 -93.374 -13.437 1.00 0.00 O ATOM 36867 O5* G B1715 -1.132 -91.832 -14.456 1.00 0.00 O ATOM 36868 C5* G B1715 0.057 -91.169 -14.930 1.00 0.00 C ATOM 36869 C4* G B1715 0.007 -89.555 -14.843 1.00 0.00 C ATOM 36870 O4* G B1715 -0.462 -88.647 -15.881 1.00 0.00 O ATOM 36871 C3* G B1715 -0.435 -88.896 -13.543 1.00 0.00 C ATOM 36872 O3* G B1715 -0.559 -89.672 -12.260 1.00 0.00 O ATOM 36873 C2* G B1715 -0.260 -87.413 -13.858 1.00 0.00 C ATOM 36874 O2* G B1715 1.112 -87.047 -13.813 1.00 0.00 O ATOM 36875 C1* G B1715 -0.681 -87.361 -15.326 1.00 0.00 C ATOM 36876 N9 G B1715 -2.328 -86.931 -15.585 1.00 0.00 N ATOM 36877 C8 G B1715 -3.408 -87.745 -15.863 1.00 0.00 C ATOM 36878 N7 G B1715 -4.554 -87.110 -15.901 1.00 0.00 N ATOM 36879 C5 G B1715 -4.212 -85.785 -15.630 1.00 0.00 C ATOM 36880 C6 G B1715 -5.032 -84.635 -15.537 1.00 0.00 C ATOM 36881 O6 G B1715 -6.248 -84.537 -15.675 1.00 0.00 O ATOM 36882 N1 G B1715 -4.273 -83.490 -15.243 1.00 0.00 N ATOM 36883 C2 G B1715 -2.904 -83.465 -15.064 1.00 0.00 C ATOM 36884 N2 G B1715 -2.370 -82.275 -14.790 1.00 0.00 N ATOM 36885 N3 G B1715 -2.135 -84.548 -15.151 1.00 0.00 N ATOM 36886 C4 G B1715 -2.859 -85.667 -15.438 1.00 0.00 C ATOM 36887 P U B1716 0.688 -89.333 -10.992 1.00 0.00 P ATOM 36888 O1P U B1716 0.289 -88.117 -10.246 1.00 0.00 O ATOM 36889 O2P U B1716 2.105 -89.396 -11.411 1.00 0.00 O ATOM 36890 O5* U B1716 0.316 -90.637 -10.139 1.00 0.00 O ATOM 36891 C5* U B1716 1.340 -91.272 -9.351 1.00 0.00 C ATOM 36892 C4* U B1716 0.738 -92.398 -8.535 1.00 0.00 C ATOM 36893 O4* U B1716 -0.148 -91.833 -7.528 1.00 0.00 O ATOM 36894 C3* U B1716 -0.154 -93.374 -9.302 1.00 0.00 C ATOM 36895 O3* U B1716 0.595 -94.368 -9.929 1.00 0.00 O ATOM 36896 C2* U B1716 -1.050 -93.926 -8.197 1.00 0.00 C ATOM 36897 O2* U B1716 -0.352 -94.872 -7.407 1.00 0.00 O ATOM 36898 C1* U B1716 -1.261 -92.690 -7.326 1.00 0.00 C ATOM 36899 N1 U B1716 -2.496 -91.928 -7.657 1.00 0.00 N ATOM 36900 C2 U B1716 -3.693 -92.474 -7.263 1.00 0.00 C ATOM 36901 O2 U B1716 -3.774 -93.536 -6.667 1.00 0.00 O ATOM 36902 N3 U B1716 -4.816 -91.738 -7.585 1.00 0.00 N ATOM 36903 C4 U B1716 -4.842 -90.532 -8.255 1.00 0.00 C ATOM 36904 O4 U B1716 -5.912 -89.967 -8.488 1.00 0.00 O ATOM 36905 C5 U B1716 -3.539 -90.039 -8.629 1.00 0.00 C ATOM 36906 C6 U B1716 -2.429 -90.734 -8.327 1.00 0.00 C ATOM 36907 P A B1717 0.078 -94.955 -11.363 1.00 0.00 P ATOM 36908 O1P A B1717 1.163 -95.705 -12.031 1.00 0.00 O ATOM 36909 O2P A B1717 -0.531 -93.862 -12.152 1.00 0.00 O ATOM 36910 O5* A B1717 -1.060 -95.971 -10.875 1.00 0.00 O ATOM 36911 C5* A B1717 -0.698 -97.066 -10.015 1.00 0.00 C ATOM 36912 C4* A B1717 -1.939 -97.817 -9.578 1.00 0.00 C ATOM 36913 O4* A B1717 -2.728 -96.961 -8.707 1.00 0.00 O ATOM 36914 C3* A B1717 -2.911 -98.198 -10.698 1.00 0.00 C ATOM 36915 O3* A B1717 -2.535 -99.389 -11.318 1.00 0.00 O ATOM 36916 C2* A B1717 -4.234 -98.320 -9.943 1.00 0.00 C ATOM 36917 O2* A B1717 -4.286 -99.533 -9.212 1.00 0.00 O ATOM 36918 C1* A B1717 -4.111 -97.193 -8.923 1.00 0.00 C ATOM 36919 N9 A B1717 -4.729 -95.912 -9.370 1.00 0.00 N ATOM 36920 C8 A B1717 -4.116 -94.758 -9.800 1.00 0.00 C ATOM 36921 N7 A B1717 -4.944 -93.812 -10.124 1.00 0.00 N ATOM 36922 C5 A B1717 -6.195 -94.366 -9.894 1.00 0.00 C ATOM 36923 C6 A B1717 -7.496 -93.863 -10.043 1.00 0.00 C ATOM 36924 N6 A B1717 -7.763 -92.625 -10.483 1.00 0.00 N ATOM 36925 N1 A B1717 -8.516 -94.679 -9.725 1.00 0.00 N ATOM 36926 C2 A B1717 -8.245 -95.908 -9.289 1.00 0.00 C ATOM 36927 N3 A B1717 -7.075 -96.485 -9.109 1.00 0.00 N ATOM 36928 C4 A B1717 -6.071 -95.645 -9.436 1.00 0.00 C ATOM 36929 P G B1718 -2.828 -99.566 -12.915 1.00 0.00 P ATOM 36930 O1P G B1718 -2.046-100.700 -13.455 1.00 0.00 O ATOM 36931 O2P G B1718 -2.636 -98.267 -13.599 1.00 0.00 O ATOM 36932 O5* G B1718 -4.386 -99.942 -12.894 1.00 0.00 O ATOM 36933 C5* G B1718 -4.808-101.128 -12.196 1.00 0.00 C ATOM 36934 C4* G B1718 -6.320-101.219 -12.199 1.00 0.00 C ATOM 36935 O4* G B1718 -6.860-100.144 -11.377 1.00 0.00 O ATOM 36936 C3* G B1718 -6.996-101.020 -13.555 1.00 0.00 C ATOM 36937 O3* G B1718 -7.029-102.202 -14.291 1.00 0.00 O ATOM 36938 C2* G B1718 -8.390-100.541 -13.150 1.00 0.00 C ATOM 36939 O2* G B1718 -9.180-101.625 -12.690 1.00 0.00 O ATOM 36940 C1* G B1718 -8.074 -99.675 -11.936 1.00 0.00 C ATOM 36941 N9 G B1718 -7.908 -98.231 -12.258 1.00 0.00 N ATOM 36942 C8 G B1718 -6.750 -97.481 -12.317 1.00 0.00 C ATOM 36943 N7 G B1718 -6.947 -96.223 -12.631 1.00 0.00 N ATOM 36944 C5 G B1718 -8.330 -96.133 -12.795 1.00 0.00 C ATOM 36945 C6 G B1718 -9.139 -95.021 -13.139 1.00 0.00 C ATOM 36946 O6 G B1718 -8.798 -93.864 -13.376 1.00 0.00 O ATOM 36947 N1 G B1718 -10.493 -95.372 -13.195 1.00 0.00 N ATOM 36948 C2 G B1718 -11.001 -96.634 -12.950 1.00 0.00 C ATOM 36949 N2 G B1718 -12.326 -96.762 -13.056 1.00 0.00 N ATOM 36950 N3 G B1718 -10.241 -97.677 -12.628 1.00 0.00 N ATOM 36951 C4 G B1718 -8.923 -97.353 -12.568 1.00 0.00 C ATOM 36952 P G B1719 -8.056-103.718 -14.238 1.00 0.00 P ATOM 36953 O1P G B1719 -8.505-104.079 -12.873 1.00 0.00 O ATOM 36954 O2P G B1719 -7.393-104.790 -15.002 1.00 0.00 O ATOM 36955 O5* G B1719 -9.358-102.969 -15.276 1.00 0.00 O ATOM 36956 C5* G B1719 -9.952-103.572 -16.447 1.00 0.00 C ATOM 36957 C4* G B1719 -9.880-102.659 -17.780 1.00 0.00 C ATOM 36958 O4* G B1719 -8.777-102.806 -18.717 1.00 0.00 O ATOM 36959 C3* G B1719 -11.090-102.392 -18.677 1.00 0.00 C ATOM 36960 O3* G B1719 -12.338-101.815 -17.981 1.00 0.00 O ATOM 36961 C2* G B1719 -10.483-101.544 -19.790 1.00 0.00 C ATOM 36962 O2* G B1719 -10.258-100.219 -19.345 1.00 0.00 O ATOM 36963 C1* G B1719 -9.111-102.195 -19.954 1.00 0.00 C ATOM 36964 N9 G B1719 -9.027-103.394 -21.191 1.00 0.00 N ATOM 36965 C8 G B1719 -10.042-104.122 -21.767 1.00 0.00 C ATOM 36966 N7 G B1719 -9.651-104.920 -22.733 1.00 0.00 N ATOM 36967 C5 G B1719 -8.271-104.699 -22.802 1.00 0.00 C ATOM 36968 C6 G B1719 -7.295-105.279 -23.654 1.00 0.00 C ATOM 36969 O6 G B1719 -7.447-106.113 -24.542 1.00 0.00 O ATOM 36970 N1 G B1719 -6.018-104.776 -23.381 1.00 0.00 N ATOM 36971 C2 G B1719 -5.718-103.840 -22.410 1.00 0.00 C ATOM 36972 N2 G B1719 -4.436-103.488 -22.310 1.00 0.00 N ATOM 36973 N3 G B1719 -6.636-103.300 -21.611 1.00 0.00 N ATOM 36974 C4 G B1719 -7.882-103.777 -21.859 1.00 0.00 C ATOM 36975 P U B1720 -12.194-101.054 -16.307 1.00 0.00 P ATOM 36976 O1P U B1720 -12.113-102.059 -15.225 1.00 0.00 O ATOM 36977 O2P U B1720 -13.246-100.020 -16.149 1.00 0.00 O ATOM 36978 O5* U B1720 -10.570-100.297 -16.618 1.00 0.00 O ATOM 36979 C5* U B1720 -10.016 -99.049 -17.014 1.00 0.00 C ATOM 36980 C4* U B1720 -8.462 -98.873 -16.675 1.00 0.00 C ATOM 36981 O4* U B1720 -7.762 -99.756 -15.749 1.00 0.00 O ATOM 36982 C3* U B1720 -7.383 -98.455 -17.674 1.00 0.00 C ATOM 36983 O3* U B1720 -7.449 -98.804 -19.171 1.00 0.00 O ATOM 36984 C2* U B1720 -6.147 -98.349 -16.784 1.00 0.00 C ATOM 36985 O2* U B1720 -6.183 -97.156 -16.012 1.00 0.00 O ATOM 36986 C1* U B1720 -6.365 -99.508 -15.816 1.00 0.00 C ATOM 36987 N1 U B1720 -5.560-100.998 -16.266 1.00 0.00 N ATOM 36988 C2 U B1720 -5.761-101.455 -17.544 1.00 0.00 C ATOM 36989 O2 U B1720 -6.496-100.893 -18.343 1.00 0.00 O ATOM 36990 N3 U B1720 -5.068-102.605 -17.879 1.00 0.00 N ATOM 36991 C4 U B1720 -4.220-103.315 -17.058 1.00 0.00 C ATOM 36992 O4 U B1720 -3.658-104.332 -17.470 1.00 0.00 O ATOM 36993 C5 U B1720 -4.072-102.757 -15.734 1.00 0.00 C ATOM 36994 C6 U B1720 -4.733-101.642 -15.385 1.00 0.00 C ATOM 36995 P G B1721 -5.940 -98.434 -20.125 1.00 0.00 P ATOM 36996 O1P G B1721 -6.291 -97.922 -21.471 1.00 0.00 O ATOM 36997 O2P G B1721 -4.956 -99.539 -20.095 1.00 0.00 O ATOM 36998 O5* G B1721 -5.507 -97.106 -18.970 1.00 0.00 O ATOM 36999 C5* G B1721 -5.623 -96.045 -18.008 1.00 0.00 C ATOM 37000 C4* G B1721 -5.320 -94.612 -18.694 1.00 0.00 C ATOM 37001 O4* G B1721 -3.905 -94.288 -18.825 1.00 0.00 O ATOM 37002 C3* G B1721 -5.877 -94.403 -20.099 1.00 0.00 C ATOM 37003 O3* G B1721 -7.427 -94.249 -19.968 1.00 0.00 O ATOM 37004 C2* G B1721 -5.070 -93.204 -20.588 1.00 0.00 C ATOM 37005 O2* G B1721 -5.547 -92.005 -20.003 1.00 0.00 O ATOM 37006 C1* G B1721 -3.701 -93.481 -19.976 1.00 0.00 C ATOM 37007 N9 G B1721 -2.593 -94.298 -21.024 1.00 0.00 N ATOM 37008 C8 G B1721 -2.244 -95.630 -21.051 1.00 0.00 C ATOM 37009 N7 G B1721 -1.286 -95.913 -21.895 1.00 0.00 N ATOM 37010 C5 G B1721 -0.970 -94.680 -22.469 1.00 0.00 C ATOM 37011 C6 G B1721 -0.010 -94.355 -23.457 1.00 0.00 C ATOM 37012 O6 G B1721 0.785 -95.093 -24.040 1.00 0.00 O ATOM 37013 N1 G B1721 -0.027 -92.985 -23.754 1.00 0.00 N ATOM 37014 C2 G B1721 -0.865 -92.055 -23.170 1.00 0.00 C ATOM 37015 N2 G B1721 -0.724 -90.794 -23.589 1.00 0.00 N ATOM 37016 N3 G B1721 -1.769 -92.365 -22.246 1.00 0.00 N ATOM 37017 C4 G B1721 -1.764 -93.686 -21.947 1.00 0.00 C ATOM 37018 P A B1722 -8.742 -95.142 -20.921 1.00 0.00 P ATOM 37019 O1P A B1722 -8.463 -95.148 -22.373 1.00 0.00 O ATOM 37020 O2P A B1722 -10.051 -94.578 -20.516 1.00 0.00 O ATOM 37021 O5* A B1722 -8.657 -96.842 -20.215 1.00 0.00 O ATOM 37022 C5* A B1722 -9.641 -97.915 -20.413 1.00 0.00 C ATOM 37023 C4* A B1722 -11.153 -97.585 -19.903 1.00 0.00 C ATOM 37024 O4* A B1722 -11.608 -96.233 -19.593 1.00 0.00 O ATOM 37025 C3* A B1722 -12.387 -98.451 -19.663 1.00 0.00 C ATOM 37026 O3* A B1722 -12.621 -99.857 -20.157 1.00 0.00 O ATOM 37027 C2* A B1722 -13.036 -97.762 -18.464 1.00 0.00 C ATOM 37028 O2* A B1722 -12.340 -98.075 -17.269 1.00 0.00 O ATOM 37029 C1* A B1722 -12.761 -96.297 -18.772 1.00 0.00 C ATOM 37030 N9 A B1722 -14.015 -95.499 -19.558 1.00 0.00 N ATOM 37031 C8 A B1722 -13.932 -94.546 -20.543 1.00 0.00 C ATOM 37032 N7 A B1722 -15.075 -93.991 -20.834 1.00 0.00 N ATOM 37033 C5 A B1722 -15.974 -94.616 -19.986 1.00 0.00 C ATOM 37034 C6 A B1722 -17.362 -94.470 -19.803 1.00 0.00 C ATOM 37035 N6 A B1722 -18.111 -93.608 -20.500 1.00 0.00 N ATOM 37036 N1 A B1722 -17.947 -95.253 -18.873 1.00 0.00 N ATOM 37037 C2 A B1722 -17.196 -96.109 -18.189 1.00 0.00 C ATOM 37038 N3 A B1722 -15.900 -96.327 -18.270 1.00 0.00 N ATOM 37039 C4 A B1722 -15.339 -95.537 -19.206 1.00 0.00 C ATOM 37040 P G B1723 -12.841 -99.937 -21.973 1.00 0.00 P ATOM 37041 O1P G B1723 -11.992-100.985 -22.583 1.00 0.00 O ATOM 37042 O2P G B1723 -12.769 -98.600 -22.605 1.00 0.00 O ATOM 37043 O5* G B1723 -14.561-100.487 -21.766 1.00 0.00 O ATOM 37044 C5* G B1723 -15.540-101.082 -22.624 1.00 0.00 C ATOM 37045 C4* G B1723 -16.394-102.276 -21.953 1.00 0.00 C ATOM 37046 O4* G B1723 -15.782-103.552 -21.601 1.00 0.00 O ATOM 37047 C3* G B1723 -17.486-102.089 -20.898 1.00 0.00 C ATOM 37048 O3* G B1723 -18.542-100.966 -21.296 1.00 0.00 O ATOM 37049 C2* G B1723 -17.977-103.518 -20.687 1.00 0.00 C ATOM 37050 O2* G B1723 -18.808-103.929 -21.758 1.00 0.00 O ATOM 37051 C1* G B1723 -16.677-104.307 -20.802 1.00 0.00 C ATOM 37052 N9 G B1723 -15.901-104.650 -19.286 1.00 0.00 N ATOM 37053 C8 G B1723 -15.291-105.810 -18.864 1.00 0.00 C ATOM 37054 N7 G B1723 -14.868-105.771 -17.621 1.00 0.00 N ATOM 37055 C5 G B1723 -15.224-104.494 -17.194 1.00 0.00 C ATOM 37056 C6 G B1723 -15.028-103.865 -15.940 1.00 0.00 C ATOM 37057 O6 G B1723 -14.495-104.315 -14.925 1.00 0.00 O ATOM 37058 N1 G B1723 -15.538-102.559 -15.932 1.00 0.00 N ATOM 37059 C2 G B1723 -16.163-101.945 -16.998 1.00 0.00 C ATOM 37060 N2 G B1723 -16.583-100.693 -16.791 1.00 0.00 N ATOM 37061 N3 G B1723 -16.347-102.532 -18.176 1.00 0.00 N ATOM 37062 C4 G B1723 -15.856-103.800 -18.197 1.00 0.00 C ATOM 37063 P G B1724 -19.263-101.150 -23.029 1.00 0.00 P ATOM 37064 O1P G B1724 -20.389-102.113 -22.978 1.00 0.00 O ATOM 37065 O2P G B1724 -18.097-101.564 -23.839 1.00 0.00 O ATOM 37066 O5* G B1724 -19.792 -99.725 -23.531 1.00 0.00 O ATOM 37067 C5* G B1724 -21.175 -99.382 -23.325 1.00 0.00 C ATOM 37068 C4* G B1724 -21.425 -97.951 -23.757 1.00 0.00 C ATOM 37069 O4* G B1724 -20.723 -97.056 -22.849 1.00 0.00 O ATOM 37070 C3* G B1724 -20.886 -97.569 -25.137 1.00 0.00 C ATOM 37071 O3* G B1724 -21.778 -97.921 -26.150 1.00 0.00 O ATOM 37072 C2* G B1724 -20.711 -96.058 -25.006 1.00 0.00 C ATOM 37073 O2* G B1724 -21.963 -95.398 -25.089 1.00 0.00 O ATOM 37074 C1* G B1724 -20.239 -95.928 -23.561 1.00 0.00 C ATOM 37075 N9 G B1724 -18.756 -95.898 -23.418 1.00 0.00 N ATOM 37076 C8 G B1724 -17.905 -96.880 -22.957 1.00 0.00 C ATOM 37077 N7 G B1724 -16.641 -96.533 -22.957 1.00 0.00 N ATOM 37078 C5 G B1724 -16.653 -95.230 -23.454 1.00 0.00 C ATOM 37079 C6 G B1724 -15.584 -94.328 -23.682 1.00 0.00 C ATOM 37080 O6 G B1724 -14.380 -94.496 -23.494 1.00 0.00 O ATOM 37081 N1 G B1724 -16.042 -93.106 -24.194 1.00 0.00 N ATOM 37082 C2 G B1724 -17.367 -92.797 -24.451 1.00 0.00 C ATOM 37083 N2 G B1724 -17.598 -91.576 -24.938 1.00 0.00 N ATOM 37084 N3 G B1724 -18.366 -93.643 -24.234 1.00 0.00 N ATOM 37085 C4 G B1724 -17.939 -94.835 -23.738 1.00 0.00 C ATOM 37086 P U B1725 -21.180 -98.390 -27.594 1.00 0.00 P ATOM 37087 O1P U B1725 -22.230 -99.060 -28.391 1.00 0.00 O ATOM 37088 O2P U B1725 -19.937 -99.167 -27.382 1.00 0.00 O ATOM 37089 O5* U B1725 -20.826 -96.973 -28.248 1.00 0.00 O ATOM 37090 C5* U B1725 -21.885 -96.017 -28.457 1.00 0.00 C ATOM 37091 C4* U B1725 -21.310 -94.711 -28.966 1.00 0.00 C ATOM 37092 O4* U B1725 -20.519 -94.100 -27.903 1.00 0.00 O ATOM 37093 C3* U B1725 -20.331 -94.823 -30.134 1.00 0.00 C ATOM 37094 O3* U B1725 -20.997 -94.885 -31.356 1.00 0.00 O ATOM 37095 C2* U B1725 -19.500 -93.551 -29.981 1.00 0.00 C ATOM 37096 O2* U B1725 -20.224 -92.421 -30.434 1.00 0.00 O ATOM 37097 C1* U B1725 -19.399 -93.435 -28.463 1.00 0.00 C ATOM 37098 N1 U B1725 -18.167 -94.052 -27.895 1.00 0.00 N ATOM 37099 C2 U B1725 -16.984 -93.376 -28.083 1.00 0.00 C ATOM 37100 O2 U B1725 -16.916 -92.316 -28.680 1.00 0.00 O ATOM 37101 N3 U B1725 -15.867 -93.980 -27.543 1.00 0.00 N ATOM 37102 C4 U B1725 -15.832 -95.171 -26.850 1.00 0.00 C ATOM 37103 O4 U B1725 -14.766 -95.613 -26.413 1.00 0.00 O ATOM 37104 C5 U B1725 -17.119 -95.805 -26.705 1.00 0.00 C ATOM 37105 C6 U B1725 -18.225 -95.242 -27.221 1.00 0.00 C ATOM 37106 P C B1726 -20.354 -95.784 -32.559 1.00 0.00 P ATOM 37107 O1P C B1726 -21.363 -96.022 -33.616 1.00 0.00 O ATOM 37108 O2P C B1726 -19.727 -96.994 -31.985 1.00 0.00 O ATOM 37109 O5* C B1726 -19.224 -94.790 -33.103 1.00 0.00 O ATOM 37110 C5* C B1726 -19.613 -93.506 -33.624 1.00 0.00 C ATOM 37111 C4* C B1726 -18.382 -92.690 -33.962 1.00 0.00 C ATOM 37112 O4* C B1726 -17.690 -92.346 -32.726 1.00 0.00 O ATOM 37113 C3* C B1726 -17.317 -93.404 -34.795 1.00 0.00 C ATOM 37114 O3* C B1726 -17.606 -93.341 -36.157 1.00 0.00 O ATOM 37115 C2* C B1726 -16.053 -92.633 -34.424 1.00 0.00 C ATOM 37116 O2* C B1726 -16.015 -91.379 -35.084 1.00 0.00 O ATOM 37117 C1* C B1726 -16.288 -92.347 -32.946 1.00 0.00 C ATOM 37118 N1 C B1726 -15.681 -93.359 -32.036 1.00 0.00 N ATOM 37119 C2 C B1726 -14.299 -93.337 -31.869 1.00 0.00 C ATOM 37120 O2 C B1726 -13.640 -92.485 -32.477 1.00 0.00 O ATOM 37121 N3 C B1726 -13.727 -94.252 -31.046 1.00 0.00 N ATOM 37122 C4 C B1726 -14.476 -95.159 -30.406 1.00 0.00 C ATOM 37123 N4 C B1726 -13.870 -96.029 -29.614 1.00 0.00 N ATOM 37124 C5 C B1726 -15.899 -95.199 -30.562 1.00 0.00 C ATOM 37125 C6 C B1726 -16.452 -94.276 -31.391 1.00 0.00 C ATOM 37126 P C B1727 -17.189 -94.601 -37.107 1.00 0.00 P ATOM 37127 O1P C B1727 -17.889 -94.516 -38.409 1.00 0.00 O ATOM 37128 O2P C B1727 -17.374 -95.865 -36.360 1.00 0.00 O ATOM 37129 O5* C B1727 -15.627 -94.316 -37.314 1.00 0.00 O ATOM 37130 C5* C B1727 -15.218 -93.089 -37.945 1.00 0.00 C ATOM 37131 C4* C B1727 -13.708 -92.973 -37.924 1.00 0.00 C ATOM 37132 O4* C B1727 -13.267 -92.797 -36.546 1.00 0.00 O ATOM 37133 C3* C B1727 -12.937 -94.204 -38.402 1.00 0.00 C ATOM 37134 O3* C B1727 -12.813 -94.224 -39.790 1.00 0.00 O ATOM 37135 C2* C B1727 -11.596 -94.039 -37.691 1.00 0.00 C ATOM 37136 O2* C B1727 -10.807 -93.052 -38.331 1.00 0.00 O ATOM 37137 C1* C B1727 -12.030 -93.458 -36.348 1.00 0.00 C ATOM 37138 N1 C B1727 -12.222 -94.488 -35.287 1.00 0.00 N ATOM 37139 C2 C B1727 -11.085 -95.064 -34.727 1.00 0.00 C ATOM 37140 O2 C B1727 -9.972 -94.702 -35.129 1.00 0.00 O ATOM 37141 N3 C B1727 -11.241 -96.005 -33.759 1.00 0.00 N ATOM 37142 C4 C B1727 -12.462 -96.368 -33.349 1.00 0.00 C ATOM 37143 N4 C B1727 -12.558 -97.289 -32.404 1.00 0.00 N ATOM 37144 C5 C B1727 -13.644 -95.789 -33.915 1.00 0.00 C ATOM 37145 C6 C B1727 -13.468 -94.852 -34.880 1.00 0.00 C ATOM 37146 P C B1728 -14.127 -95.071 -40.738 1.00 0.00 P ATOM 37147 O1P C B1728 -13.883 -94.952 -42.188 1.00 0.00 O ATOM 37148 O2P C B1728 -15.493 -94.725 -40.280 1.00 0.00 O ATOM 37149 O5* C B1728 -13.576 -96.664 -40.065 1.00 0.00 O ATOM 37150 C5* C B1728 -12.676 -97.022 -39.012 1.00 0.00 C ATOM 37151 C4* C B1728 -12.054 -98.502 -39.186 1.00 0.00 C ATOM 37152 O4* C B1728 -10.614 -98.635 -39.338 1.00 0.00 O ATOM 37153 C3* C B1728 -12.447 -99.698 -38.322 1.00 0.00 C ATOM 37154 O3* C B1728 -13.939-100.036 -38.198 1.00 0.00 O ATOM 37155 C2* C B1728 -11.497-100.779 -38.825 1.00 0.00 C ATOM 37156 O2* C B1728 -11.925-101.289 -40.076 1.00 0.00 O ATOM 37157 C1* C B1728 -10.227 -99.981 -39.084 1.00 0.00 C ATOM 37158 N1 C B1728 -9.109 -99.983 -37.794 1.00 0.00 N ATOM 37159 C2 C B1728 -8.652-101.214 -37.333 1.00 0.00 C ATOM 37160 O2 C B1728 -9.074-102.245 -37.873 1.00 0.00 O ATOM 37161 N3 C B1728 -7.760-101.241 -36.313 1.00 0.00 N ATOM 37162 C4 C B1728 -7.327-100.098 -35.755 1.00 0.00 C ATOM 37163 N4 C B1728 -6.456-100.178 -34.765 1.00 0.00 N ATOM 37164 C5 C B1728 -7.785 -98.822 -36.213 1.00 0.00 C ATOM 37165 C6 C B1728 -8.677 -98.820 -37.237 1.00 0.00 C ATOM 37166 P U B1729 -14.908 -99.046 -37.000 1.00 0.00 P ATOM 37167 O1P U B1729 -15.445 -97.811 -37.617 1.00 0.00 O ATOM 37168 O2P U B1729 -14.205 -98.868 -35.712 1.00 0.00 O ATOM 37169 O5* U B1729 -16.191-100.333 -36.897 1.00 0.00 O ATOM 37170 C5* U B1729 -17.480-100.965 -36.887 1.00 0.00 C ATOM 37171 C4* U B1729 -17.411-102.579 -37.079 1.00 0.00 C ATOM 37172 O4* U B1729 -16.790-103.065 -38.305 1.00 0.00 O ATOM 37173 C3* U B1729 -16.879-103.520 -35.997 1.00 0.00 C ATOM 37174 O3* U B1729 -17.623-103.514 -34.652 1.00 0.00 O ATOM 37175 C2* U B1729 -16.814-104.854 -36.742 1.00 0.00 C ATOM 37176 O2* U B1729 -18.108-105.416 -36.875 1.00 0.00 O ATOM 37177 C1* U B1729 -16.374-104.410 -38.133 1.00 0.00 C ATOM 37178 N1 U B1729 -14.701-104.492 -38.406 1.00 0.00 N ATOM 37179 C2 U B1729 -14.138-105.747 -38.469 1.00 0.00 C ATOM 37180 O2 U B1729 -14.782-106.769 -38.308 1.00 0.00 O ATOM 37181 N3 U B1729 -12.782-105.776 -38.720 1.00 0.00 N ATOM 37182 C4 U B1729 -11.962-104.685 -38.916 1.00 0.00 C ATOM 37183 O4 U B1729 -10.755-104.836 -39.137 1.00 0.00 O ATOM 37184 C5 U B1729 -12.638-103.411 -38.835 1.00 0.00 C ATOM 37185 C6 U B1729 -13.962-103.352 -38.586 1.00 0.00 C ATOM 37186 P C B1730 -17.089-102.280 -33.411 1.00 0.00 P ATOM 37187 O1P C B1730 -17.973-101.092 -33.381 1.00 0.00 O ATOM 37188 O2P C B1730 -15.637-102.001 -33.493 1.00 0.00 O ATOM 37189 O5* C B1730 -17.500-103.420 -32.052 1.00 0.00 O ATOM 37190 C5* C B1730 -17.948-104.478 -31.193 1.00 0.00 C ATOM 37191 C4* C B1730 -17.168-105.882 -31.462 1.00 0.00 C ATOM 37192 O4* C B1730 -16.904-106.208 -32.854 1.00 0.00 O ATOM 37193 C3* C B1730 -15.864-106.235 -30.747 1.00 0.00 C ATOM 37194 O3* C B1730 -15.890-106.279 -29.222 1.00 0.00 O ATOM 37195 C2* C B1730 -15.407-107.470 -31.511 1.00 0.00 C ATOM 37196 O2* C B1730 -16.160-108.609 -31.129 1.00 0.00 O ATOM 37197 C1* C B1730 -15.825-107.126 -32.939 1.00 0.00 C ATOM 37198 N1 C B1730 -14.597-106.424 -33.889 1.00 0.00 N ATOM 37199 C2 C B1730 -13.570-107.251 -34.339 1.00 0.00 C ATOM 37200 O2 C B1730 -13.595-108.448 -34.036 1.00 0.00 O ATOM 37201 N3 C B1730 -12.581-106.709 -35.093 1.00 0.00 N ATOM 37202 C4 C B1730 -12.590-105.407 -35.398 1.00 0.00 C ATOM 37203 N4 C B1730 -11.606-104.930 -36.139 1.00 0.00 N ATOM 37204 C5 C B1730 -13.635-104.538 -34.947 1.00 0.00 C ATOM 37205 C6 C B1730 -14.617-105.101 -34.195 1.00 0.00 C ATOM 37206 P G B1731 -14.885-104.969 -28.436 1.00 0.00 P ATOM 37207 O1P G B1731 -15.285-104.740 -27.029 1.00 0.00 O ATOM 37208 O2P G B1731 -14.784-103.760 -29.284 1.00 0.00 O ATOM 37209 O5* G B1731 -13.404-106.017 -28.548 1.00 0.00 O ATOM 37210 C5* G B1731 -12.976-107.368 -28.324 1.00 0.00 C ATOM 37211 C4* G B1731 -11.532-107.735 -28.968 1.00 0.00 C ATOM 37212 O4* G B1731 -11.453-108.004 -30.396 1.00 0.00 O ATOM 37213 C3* G B1731 -10.248-106.955 -28.671 1.00 0.00 C ATOM 37214 O3* G B1731 -9.866-106.672 -27.225 1.00 0.00 O ATOM 37215 C2* G B1731 -9.244-107.623 -29.610 1.00 0.00 C ATOM 37216 O2* G B1731 -8.837-108.876 -29.094 1.00 0.00 O ATOM 37217 C1* G B1731 -10.109-107.903 -30.836 1.00 0.00 C ATOM 37218 N9 G B1731 -10.030-106.696 -32.062 1.00 0.00 N ATOM 37219 C8 G B1731 -10.849-105.605 -32.266 1.00 0.00 C ATOM 37220 N7 G B1731 -10.513-104.875 -33.304 1.00 0.00 N ATOM 37221 C5 G B1731 -9.395-105.526 -33.819 1.00 0.00 C ATOM 37222 C6 G B1731 -8.590-105.202 -34.942 1.00 0.00 C ATOM 37223 O6 G B1731 -8.700-104.266 -35.726 1.00 0.00 O ATOM 37224 N1 G B1731 -7.549-106.132 -35.110 1.00 0.00 N ATOM 37225 C2 G B1731 -7.322-107.226 -34.297 1.00 0.00 C ATOM 37226 N2 G B1731 -6.276-107.991 -34.625 1.00 0.00 N ATOM 37227 N3 G B1731 -8.078-107.523 -33.245 1.00 0.00 N ATOM 37228 C4 G B1731 -9.088-106.637 -33.068 1.00 0.00 C ATOM 37229 P C B1732 -9.651-104.887 -26.892 1.00 0.00 P ATOM 37230 O1P C B1732 -9.921-104.554 -25.475 1.00 0.00 O ATOM 37231 O2P C B1732 -10.351-104.049 -27.893 1.00 0.00 O ATOM 37232 O5* C B1732 -7.865-105.014 -27.209 1.00 0.00 O ATOM 37233 C5* C B1732 -6.449-105.231 -27.088 1.00 0.00 C ATOM 37234 C4* C B1732 -5.603-104.826 -28.419 1.00 0.00 C ATOM 37235 O4* C B1732 -6.251-105.113 -29.693 1.00 0.00 O ATOM 37236 C3* C B1732 -4.970-103.449 -28.628 1.00 0.00 C ATOM 37237 O3* C B1732 -3.874-102.975 -27.677 1.00 0.00 O ATOM 37238 C2* C B1732 -4.538-103.520 -30.092 1.00 0.00 C ATOM 37239 O2* C B1732 -3.365-104.301 -30.233 1.00 0.00 O ATOM 37240 C1* C B1732 -5.677-104.316 -30.715 1.00 0.00 C ATOM 37241 N1 C B1732 -6.909-103.368 -31.409 1.00 0.00 N ATOM 37242 C2 C B1732 -6.599-102.639 -32.558 1.00 0.00 C ATOM 37243 O2 C B1732 -5.455-102.705 -33.016 1.00 0.00 O ATOM 37244 N3 C B1732 -7.569-101.883 -33.128 1.00 0.00 N ATOM 37245 C4 C B1732 -8.802-101.839 -32.604 1.00 0.00 C ATOM 37246 N4 C B1732 -9.712-101.083 -33.200 1.00 0.00 N ATOM 37247 C5 C B1732 -9.142-102.580 -31.429 1.00 0.00 C ATOM 37248 C6 C B1732 -8.154-103.330 -30.868 1.00 0.00 C ATOM 37249 P G B1733 -4.374-101.617 -26.558 1.00 0.00 P ATOM 37250 O1P G B1733 -3.453-101.520 -25.404 1.00 0.00 O ATOM 37251 O2P G B1733 -5.812-101.700 -26.230 1.00 0.00 O ATOM 37252 O5* G B1733 -4.117-100.392 -27.557 1.00 0.00 O ATOM 37253 C5* G B1733 -2.790-100.181 -28.077 1.00 0.00 C ATOM 37254 C4* G B1733 -2.804 -99.055 -29.091 1.00 0.00 C ATOM 37255 O4* G B1733 -3.554 -99.487 -30.264 1.00 0.00 O ATOM 37256 C3* G B1733 -3.513 -97.773 -28.655 1.00 0.00 C ATOM 37257 O3* G B1733 -2.672 -96.950 -27.909 1.00 0.00 O ATOM 37258 C2* G B1733 -3.907 -97.155 -29.993 1.00 0.00 C ATOM 37259 O2* G B1733 -2.786 -96.556 -30.621 1.00 0.00 O ATOM 37260 C1* G B1733 -4.267 -98.389 -30.809 1.00 0.00 C ATOM 37261 N9 G B1733 -5.719 -98.727 -30.779 1.00 0.00 N ATOM 37262 C8 G B1733 -6.363 -99.742 -30.110 1.00 0.00 C ATOM 37263 N7 G B1733 -7.661 -99.763 -30.295 1.00 0.00 N ATOM 37264 C5 G B1733 -7.894 -98.684 -31.147 1.00 0.00 C ATOM 37265 C6 G B1733 -9.107 -98.201 -31.702 1.00 0.00 C ATOM 37266 O6 G B1733 -10.246 -98.632 -31.552 1.00 0.00 O ATOM 37267 N1 G B1733 -8.887 -97.082 -32.517 1.00 0.00 N ATOM 37268 C2 G B1733 -7.657 -96.504 -32.763 1.00 0.00 C ATOM 37269 N2 G B1733 -7.658 -95.438 -33.567 1.00 0.00 N ATOM 37270 N3 G B1733 -6.517 -96.957 -32.243 1.00 0.00 N ATOM 37271 C4 G B1733 -6.715 -98.047 -31.449 1.00 0.00 C ATOM 37272 P G B1734 -3.314 -96.050 -26.709 1.00 0.00 P ATOM 37273 O1P G B1734 -2.244 -95.548 -25.818 1.00 0.00 O ATOM 37274 O2P G B1734 -4.396 -96.811 -26.049 1.00 0.00 O ATOM 37275 O5* G B1734 -3.938 -94.837 -27.545 1.00 0.00 O ATOM 37276 C5* G B1734 -3.063 -94.015 -28.341 1.00 0.00 C ATOM 37277 C4* G B1734 -3.874 -93.017 -29.137 1.00 0.00 C ATOM 37278 O4* G B1734 -4.652 -93.733 -30.139 1.00 0.00 O ATOM 37279 C3* G B1734 -4.923 -92.228 -28.350 1.00 0.00 C ATOM 37280 O3* G B1734 -4.362 -91.116 -27.723 1.00 0.00 O ATOM 37281 C2* G B1734 -5.922 -91.849 -29.439 1.00 0.00 C ATOM 37282 O2* G B1734 -5.423 -90.784 -30.232 1.00 0.00 O ATOM 37283 C1* G B1734 -5.908 -93.096 -30.318 1.00 0.00 C ATOM 37284 N9 G B1734 -6.975 -94.078 -29.978 1.00 0.00 N ATOM 37285 C8 G B1734 -6.868 -95.291 -29.330 1.00 0.00 C ATOM 37286 N7 G B1734 -8.011 -95.921 -29.185 1.00 0.00 N ATOM 37287 C5 G B1734 -8.938 -95.067 -29.784 1.00 0.00 C ATOM 37288 C6 G B1734 -10.339 -95.208 -29.938 1.00 0.00 C ATOM 37289 O6 G B1734 -11.067 -96.130 -29.576 1.00 0.00 O ATOM 37290 N1 G B1734 -10.895 -94.106 -30.604 1.00 0.00 N ATOM 37291 C2 G B1734 -10.187 -93.011 -31.059 1.00 0.00 C ATOM 37292 N2 G B1734 -10.897 -92.064 -31.671 1.00 0.00 N ATOM 37293 N3 G B1734 -8.870 -92.879 -30.912 1.00 0.00 N ATOM 37294 C4 G B1734 -8.315 -93.941 -30.269 1.00 0.00 C ATOM 37295 P A B1735 -4.961 -90.646 -26.279 1.00 0.00 P ATOM 37296 O1P A B1735 -4.026 -89.708 -25.616 1.00 0.00 O ATOM 37297 O2P A B1735 -5.344 -91.839 -25.493 1.00 0.00 O ATOM 37298 O5* A B1735 -6.278 -89.858 -26.744 1.00 0.00 O ATOM 37299 C5* A B1735 -6.139 -88.711 -27.598 1.00 0.00 C ATOM 37300 C4* A B1735 -7.504 -88.202 -28.011 1.00 0.00 C ATOM 37301 O4* A B1735 -8.132 -89.186 -28.881 1.00 0.00 O ATOM 37302 C3* A B1735 -8.516 -88.016 -26.879 1.00 0.00 C ATOM 37303 O3* A B1735 -8.361 -86.782 -26.252 1.00 0.00 O ATOM 37304 C2* A B1735 -9.847 -88.140 -27.615 1.00 0.00 C ATOM 37305 O2* A B1735 -10.134 -86.954 -28.337 1.00 0.00 O ATOM 37306 C1* A B1735 -9.529 -89.219 -28.646 1.00 0.00 C ATOM 37307 N9 A B1735 -9.891 -90.594 -28.202 1.00 0.00 N ATOM 37308 C8 A B1735 -9.067 -91.617 -27.790 1.00 0.00 C ATOM 37309 N7 A B1735 -9.697 -92.705 -27.467 1.00 0.00 N ATOM 37310 C5 A B1735 -11.032 -92.392 -27.675 1.00 0.00 C ATOM 37311 C6 A B1735 -12.215 -93.130 -27.511 1.00 0.00 C ATOM 37312 N6 A B1735 -12.239 -94.399 -27.081 1.00 0.00 N ATOM 37313 N1 A B1735 -13.374 -92.517 -27.810 1.00 0.00 N ATOM 37314 C2 A B1735 -13.343 -91.257 -28.239 1.00 0.00 C ATOM 37315 N3 A B1735 -12.306 -90.470 -28.429 1.00 0.00 N ATOM 37316 C4 A B1735 -11.158 -91.108 -28.122 1.00 0.00 C ATOM 37317 P U B1736 -8.657 -86.672 -24.650 1.00 0.00 P ATOM 37318 O1P U B1736 -8.097 -85.414 -24.109 1.00 0.00 O ATOM 37319 O2P U B1736 -8.216 -87.913 -23.980 1.00 0.00 O ATOM 37320 O5* U B1736 -10.257 -86.596 -24.648 1.00 0.00 O ATOM 37321 C5* U B1736 -10.905 -85.503 -25.329 1.00 0.00 C ATOM 37322 C4* U B1736 -12.408 -85.697 -25.307 1.00 0.00 C ATOM 37323 O4* U B1736 -12.747 -86.849 -26.131 1.00 0.00 O ATOM 37324 C3* U B1736 -13.018 -86.029 -23.943 1.00 0.00 C ATOM 37325 O3* U B1736 -13.259 -84.877 -23.197 1.00 0.00 O ATOM 37326 C2* U B1736 -14.299 -86.757 -24.336 1.00 0.00 C ATOM 37327 O2* U B1736 -15.286 -85.838 -24.776 1.00 0.00 O ATOM 37328 C1* U B1736 -13.847 -87.541 -25.563 1.00 0.00 C ATOM 37329 N1 U B1736 -13.404 -88.932 -25.253 1.00 0.00 N ATOM 37330 C2 U B1736 -14.385 -89.849 -24.962 1.00 0.00 C ATOM 37331 O2 U B1736 -15.572 -89.569 -24.946 1.00 0.00 O ATOM 37332 N3 U B1736 -13.937 -91.124 -24.681 1.00 0.00 N ATOM 37333 C4 U B1736 -12.624 -91.548 -24.672 1.00 0.00 C ATOM 37334 O4 U B1736 -12.347 -92.720 -24.405 1.00 0.00 O ATOM 37335 C5 U B1736 -11.669 -90.517 -24.989 1.00 0.00 C ATOM 37336 C6 U B1736 -12.077 -89.265 -25.265 1.00 0.00 C ATOM 37337 P G B1737 -13.180 -84.944 -21.353 1.00 0.00 P ATOM 37338 O1P G B1737 -12.939 -86.314 -20.839 1.00 0.00 O ATOM 37339 O2P G B1737 -14.363 -84.253 -20.798 1.00 0.00 O ATOM 37340 O5* G B1737 -11.673 -83.908 -21.189 1.00 0.00 O ATOM 37341 C5* G B1737 -10.593 -83.053 -20.684 1.00 0.00 C ATOM 37342 C4* G B1737 -9.829 -83.627 -19.338 1.00 0.00 C ATOM 37343 O4* G B1737 -10.478 -84.855 -18.902 1.00 0.00 O ATOM 37344 C3* G B1737 -8.333 -83.961 -19.266 1.00 0.00 C ATOM 37345 O3* G B1737 -7.273 -84.172 -20.393 1.00 0.00 O ATOM 37346 C2* G B1737 -8.267 -84.863 -18.036 1.00 0.00 C ATOM 37347 O2* G B1737 -8.356 -84.102 -16.848 1.00 0.00 O ATOM 37348 C1* G B1737 -9.568 -85.651 -18.161 1.00 0.00 C ATOM 37349 N9 G B1737 -9.414 -87.154 -18.942 1.00 0.00 N ATOM 37350 C8 G B1737 -10.198 -87.702 -19.936 1.00 0.00 C ATOM 37351 N7 G B1737 -9.762 -88.851 -20.386 1.00 0.00 N ATOM 37352 C5 G B1737 -8.602 -89.079 -19.640 1.00 0.00 C ATOM 37353 C6 G B1737 -7.691 -90.167 -19.685 1.00 0.00 C ATOM 37354 O6 G B1737 -7.716 -91.166 -20.395 1.00 0.00 O ATOM 37355 N1 G B1737 -6.653 -89.993 -18.756 1.00 0.00 N ATOM 37356 C2 G B1737 -6.517 -88.918 -17.904 1.00 0.00 C ATOM 37357 N2 G B1737 -5.452 -88.944 -17.092 1.00 0.00 N ATOM 37358 N3 G B1737 -7.372 -87.899 -17.865 1.00 0.00 N ATOM 37359 C4 G B1737 -8.385 -88.046 -18.757 1.00 0.00 C ATOM 37360 P G B1738 -5.532 -84.095 -19.766 1.00 0.00 P ATOM 37361 O1P G B1738 -5.536 -83.425 -18.445 1.00 0.00 O ATOM 37362 O2P G B1738 -4.614 -83.518 -20.774 1.00 0.00 O ATOM 37363 O5* G B1738 -5.191 -85.896 -19.593 1.00 0.00 O ATOM 37364 C5* G B1738 -4.392 -86.930 -18.939 1.00 0.00 C ATOM 37365 C4* G B1738 -3.403 -87.912 -19.801 1.00 0.00 C ATOM 37366 O4* G B1738 -2.057 -88.173 -19.307 1.00 0.00 O ATOM 37367 C3* G B1738 -3.829 -89.243 -20.423 1.00 0.00 C ATOM 37368 O3* G B1738 -5.084 -89.468 -21.210 1.00 0.00 O ATOM 37369 C2* G B1738 -2.517 -89.748 -21.021 1.00 0.00 C ATOM 37370 O2* G B1738 -2.210 -89.060 -22.221 1.00 0.00 O ATOM 37371 C1* G B1738 -1.507 -89.295 -19.972 1.00 0.00 C ATOM 37372 N9 G B1738 -1.116 -90.483 -18.796 1.00 0.00 N ATOM 37373 C8 G B1738 -1.751 -90.774 -17.607 1.00 0.00 C ATOM 37374 N7 G B1738 -1.232 -91.785 -16.959 1.00 0.00 N ATOM 37375 C5 G B1738 -0.171 -92.194 -17.773 1.00 0.00 C ATOM 37376 C6 G B1738 0.762 -93.249 -17.597 1.00 0.00 C ATOM 37377 O6 G B1738 0.852 -94.051 -16.672 1.00 0.00 O ATOM 37378 N1 G B1738 1.668 -93.309 -18.664 1.00 0.00 N ATOM 37379 C2 G B1738 1.667 -92.468 -19.757 1.00 0.00 C ATOM 37380 N2 G B1738 2.616 -92.696 -20.675 1.00 0.00 N ATOM 37381 N3 G B1738 0.790 -91.482 -19.926 1.00 0.00 N ATOM 37382 C4 G B1738 -0.094 -91.405 -18.897 1.00 0.00 C ATOM 37383 P A B1739 -5.633 -88.162 -22.333 1.00 0.00 P ATOM 37384 O1P A B1739 -4.793 -88.045 -23.541 1.00 0.00 O ATOM 37385 O2P A B1739 -5.986 -86.890 -21.661 1.00 0.00 O ATOM 37386 O5* A B1739 -7.088 -89.213 -22.519 1.00 0.00 O ATOM 37387 C5* A B1739 -8.490 -89.448 -22.385 1.00 0.00 C ATOM 37388 C4* A B1739 -8.938 -90.645 -23.350 1.00 0.00 C ATOM 37389 O4* A B1739 -7.824 -91.205 -24.106 1.00 0.00 O ATOM 37390 C3* A B1739 -9.638 -91.876 -22.767 1.00 0.00 C ATOM 37391 O3* A B1739 -10.935 -91.649 -21.830 1.00 0.00 O ATOM 37392 C2* A B1739 -9.478 -92.901 -23.893 1.00 0.00 C ATOM 37393 O2* A B1739 -10.386 -92.632 -24.950 1.00 0.00 O ATOM 37394 C1* A B1739 -8.082 -92.565 -24.415 1.00 0.00 C ATOM 37395 N9 A B1739 -6.853 -93.495 -23.768 1.00 0.00 N ATOM 37396 C8 A B1739 -5.695 -93.074 -23.154 1.00 0.00 C ATOM 37397 N7 A B1739 -4.844 -94.024 -22.926 1.00 0.00 N ATOM 37398 C5 A B1739 -5.467 -95.160 -23.411 1.00 0.00 C ATOM 37399 C6 A B1739 -5.080 -96.510 -23.462 1.00 0.00 C ATOM 37400 N6 A B1739 -3.901 -96.959 -22.996 1.00 0.00 N ATOM 37401 N1 A B1739 -5.942 -97.384 -24.013 1.00 0.00 N ATOM 37402 C2 A B1739 -7.106 -96.933 -24.474 1.00 0.00 C ATOM 37403 N3 A B1739 -7.577 -95.701 -24.480 1.00 0.00 N ATOM 37404 C4 A B1739 -6.695 -94.850 -23.925 1.00 0.00 C ATOM 37405 P G B1740 -12.185 -90.223 -21.530 1.00 0.00 P ATOM 37406 O1P G B1740 -13.500 -90.904 -21.551 1.00 0.00 O ATOM 37407 O2P G B1740 -12.007 -89.135 -22.512 1.00 0.00 O ATOM 37408 O5* G B1740 -12.138 -89.362 -19.835 1.00 0.00 O ATOM 37409 C5* G B1740 -12.831 -88.286 -19.009 1.00 0.00 C ATOM 37410 C4* G B1740 -14.328 -88.720 -18.338 1.00 0.00 C ATOM 37411 O4* G B1740 -14.449 -90.031 -18.960 1.00 0.00 O ATOM 37412 C3* G B1740 -14.547 -89.001 -16.851 1.00 0.00 C ATOM 37413 O3* G B1740 -14.727 -87.764 -15.830 1.00 0.00 O ATOM 37414 C2* G B1740 -15.602 -90.105 -16.884 1.00 0.00 C ATOM 37415 O2* G B1740 -16.883 -89.574 -17.181 1.00 0.00 O ATOM 37416 C1* G B1740 -15.163 -90.912 -18.102 1.00 0.00 C ATOM 37417 N9 G B1740 -14.141 -92.271 -17.742 1.00 0.00 N ATOM 37418 C8 G B1740 -14.406 -93.375 -16.959 1.00 0.00 C ATOM 37419 N7 G B1740 -13.378 -94.179 -16.813 1.00 0.00 N ATOM 37420 C5 G B1740 -12.366 -93.567 -17.546 1.00 0.00 C ATOM 37421 C6 G B1740 -11.020 -93.964 -17.758 1.00 0.00 C ATOM 37422 O6 G B1740 -10.440 -94.961 -17.337 1.00 0.00 O ATOM 37423 N1 G B1740 -10.337 -93.049 -18.569 1.00 0.00 N ATOM 37424 C2 G B1740 -10.879 -91.895 -19.102 1.00 0.00 C ATOM 37425 N2 G B1740 -10.063 -91.150 -19.848 1.00 0.00 N ATOM 37426 N3 G B1740 -12.143 -91.521 -18.904 1.00 0.00 N ATOM 37427 C4 G B1740 -12.824 -92.401 -18.116 1.00 0.00 C ATOM 37428 P C B1741 -15.978 -87.347 -14.476 1.00 0.00 P ATOM 37429 O1P C B1741 -17.218 -86.819 -15.098 1.00 0.00 O ATOM 37430 O2P C B1741 -15.405 -86.527 -13.387 1.00 0.00 O ATOM 37431 O5* C B1741 -16.225 -88.841 -13.961 1.00 0.00 O ATOM 37432 C5* C B1741 -17.521 -89.438 -14.145 1.00 0.00 C ATOM 37433 C4* C B1741 -17.494 -90.886 -13.699 1.00 0.00 C ATOM 37434 O4* C B1741 -16.650 -91.644 -14.612 1.00 0.00 O ATOM 37435 C3* C B1741 -16.876 -91.148 -12.324 1.00 0.00 C ATOM 37436 O3* C B1741 -17.804 -90.960 -11.304 1.00 0.00 O ATOM 37437 C2* C B1741 -16.422 -92.601 -12.447 1.00 0.00 C ATOM 37438 O2* C B1741 -17.526 -93.484 -12.343 1.00 0.00 O ATOM 37439 C1* C B1741 -15.951 -92.651 -13.898 1.00 0.00 C ATOM 37440 N1 C B1741 -14.490 -92.404 -14.064 1.00 0.00 N ATOM 37441 C2 C B1741 -13.616 -93.423 -13.692 1.00 0.00 C ATOM 37442 O2 C B1741 -14.081 -94.478 -13.246 1.00 0.00 O ATOM 37443 N3 C B1741 -12.281 -93.218 -13.833 1.00 0.00 N ATOM 37444 C4 C B1741 -11.817 -92.060 -14.320 1.00 0.00 C ATOM 37445 N4 C B1741 -10.506 -91.908 -14.437 1.00 0.00 N ATOM 37446 C5 C B1741 -12.699 -91.003 -14.707 1.00 0.00 C ATOM 37447 C6 C B1741 -14.029 -91.226 -14.558 1.00 0.00 C ATOM 37448 P U B1742 -17.284 -90.376 -9.870 1.00 0.00 P ATOM 37449 O1P U B1742 -18.434 -89.906 -9.062 1.00 0.00 O ATOM 37450 O2P U B1742 -16.215 -89.381 -10.103 1.00 0.00 O ATOM 37451 O5* U B1742 -16.668 -91.696 -9.212 1.00 0.00 O ATOM 37452 C5* U B1742 -17.523 -92.827 -8.981 1.00 0.00 C ATOM 37453 C4* U B1742 -16.707 -94.000 -8.472 1.00 0.00 C ATOM 37454 O4* U B1742 -15.830 -94.462 -9.542 1.00 0.00 O ATOM 37455 C3* U B1742 -15.751 -93.696 -7.319 1.00 0.00 C ATOM 37456 O3* U B1742 -16.403 -93.751 -6.088 1.00 0.00 O ATOM 37457 C2* U B1742 -14.701 -94.791 -7.476 1.00 0.00 C ATOM 37458 O2* U B1742 -15.192 -96.034 -7.006 1.00 0.00 O ATOM 37459 C1* U B1742 -14.597 -94.903 -8.994 1.00 0.00 C ATOM 37460 N1 U B1742 -13.510 -94.069 -9.582 1.00 0.00 N ATOM 37461 C2 U B1742 -12.219 -94.510 -9.407 1.00 0.00 C ATOM 37462 O2 U B1742 -11.944 -95.533 -8.803 1.00 0.00 O ATOM 37463 N3 U B1742 -11.242 -93.713 -9.966 1.00 0.00 N ATOM 37464 C4 U B1742 -11.439 -92.541 -10.668 1.00 0.00 C ATOM 37465 O4 U B1742 -10.481 -91.913 -11.122 1.00 0.00 O ATOM 37466 C5 U B1742 -12.827 -92.162 -10.799 1.00 0.00 C ATOM 37467 C6 U B1742 -13.798 -92.917 -10.264 1.00 0.00 C ATOM 37468 P G B1743 -15.925 -92.738 -4.900 1.00 0.00 P ATOM 37469 O1P G B1743 -16.947 -92.684 -3.830 1.00 0.00 O ATOM 37470 O2P G B1743 -15.541 -91.436 -5.490 1.00 0.00 O ATOM 37471 O5* G B1743 -14.620 -93.496 -4.366 1.00 0.00 O ATOM 37472 C5* G B1743 -14.755 -94.824 -3.831 1.00 0.00 C ATOM 37473 C4* G B1743 -13.389 -95.393 -3.504 1.00 0.00 C ATOM 37474 O4* G B1743 -12.660 -95.612 -4.748 1.00 0.00 O ATOM 37475 C3* G B1743 -12.467 -94.486 -2.690 1.00 0.00 C ATOM 37476 O3* G B1743 -12.721 -94.590 -1.327 1.00 0.00 O ATOM 37477 C2* G B1743 -11.083 -95.011 -3.075 1.00 0.00 C ATOM 37478 O2* G B1743 -10.804 -96.227 -2.406 1.00 0.00 O ATOM 37479 C1* G B1743 -11.280 -95.348 -4.549 1.00 0.00 C ATOM 37480 N9 G B1743 -10.887 -94.247 -5.472 1.00 0.00 N ATOM 37481 C8 G B1743 -11.688 -93.392 -6.199 1.00 0.00 C ATOM 37482 N7 G B1743 -11.019 -92.525 -6.925 1.00 0.00 N ATOM 37483 C5 G B1743 -9.683 -92.827 -6.658 1.00 0.00 C ATOM 37484 C6 G B1743 -8.494 -92.230 -7.152 1.00 0.00 C ATOM 37485 O6 G B1743 -8.373 -91.296 -7.938 1.00 0.00 O ATOM 37486 N1 G B1743 -7.355 -92.846 -6.622 1.00 0.00 N ATOM 37487 C2 G B1743 -7.360 -93.905 -5.732 1.00 0.00 C ATOM 37488 N2 G B1743 -6.164 -94.351 -5.342 1.00 0.00 N ATOM 37489 N3 G B1743 -8.477 -94.465 -5.269 1.00 0.00 N ATOM 37490 C4 G B1743 -9.594 -93.876 -5.774 1.00 0.00 C ATOM 37491 P A B1744 -13.416 -96.055 -0.455 1.00 0.00 P ATOM 37492 O1P A B1744 -12.431 -97.159 -0.379 1.00 0.00 O ATOM 37493 O2P A B1744 -14.771 -96.435 -0.918 1.00 0.00 O ATOM 37494 O5* A B1744 -13.521 -95.126 1.111 1.00 0.00 O ATOM 37495 C5* A B1744 -13.367 -95.070 2.540 1.00 0.00 C ATOM 37496 C4* A B1744 -12.104 -95.950 3.082 1.00 0.00 C ATOM 37497 O4* A B1744 -11.501 -96.822 2.078 1.00 0.00 O ATOM 37498 C3* A B1744 -10.902 -95.331 3.799 1.00 0.00 C ATOM 37499 O3* A B1744 -11.038 -94.674 5.190 1.00 0.00 O ATOM 37500 C2* A B1744 -9.906 -96.492 3.810 1.00 0.00 C ATOM 37501 O2* A B1744 -10.256 -97.448 4.792 1.00 0.00 O ATOM 37502 C1* A B1744 -10.170 -97.132 2.454 1.00 0.00 C ATOM 37503 N9 A B1744 -9.134 -96.617 1.216 1.00 0.00 N ATOM 37504 C8 A B1744 -9.366 -96.597 -0.138 1.00 0.00 C ATOM 37505 N7 A B1744 -8.321 -96.303 -0.849 1.00 0.00 N ATOM 37506 C5 A B1744 -7.320 -96.116 0.094 1.00 0.00 C ATOM 37507 C6 A B1744 -5.963 -95.777 -0.027 1.00 0.00 C ATOM 37508 N6 A B1744 -5.353 -95.563 -1.199 1.00 0.00 N ATOM 37509 N1 A B1744 -5.251 -95.671 1.110 1.00 0.00 N ATOM 37510 C2 A B1744 -5.862 -95.880 2.276 1.00 0.00 C ATOM 37511 N3 A B1744 -7.116 -96.200 2.509 1.00 0.00 N ATOM 37512 C4 A B1744 -7.808 -96.302 1.353 1.00 0.00 C ATOM 37513 P A B1745 -12.361 -93.476 5.603 1.00 0.00 P ATOM 37514 O1P A B1745 -12.527 -93.387 7.072 1.00 0.00 O ATOM 37515 O2P A B1745 -13.599 -93.712 4.833 1.00 0.00 O ATOM 37516 O5* A B1745 -11.429 -92.027 5.005 1.00 0.00 O ATOM 37517 C5* A B1745 -11.548 -90.907 4.117 1.00 0.00 C ATOM 37518 C4* A B1745 -11.657 -91.440 2.607 1.00 0.00 C ATOM 37519 O4* A B1745 -12.778 -91.119 1.731 1.00 0.00 O ATOM 37520 C3* A B1745 -10.486 -91.649 1.646 1.00 0.00 C ATOM 37521 O3* A B1745 -9.367 -92.623 2.090 1.00 0.00 O ATOM 37522 C2* A B1745 -11.168 -92.306 0.451 1.00 0.00 C ATOM 37523 O2* A B1745 -11.452 -93.673 0.721 1.00 0.00 O ATOM 37524 C1* A B1745 -12.506 -91.577 0.415 1.00 0.00 C ATOM 37525 N9 A B1745 -12.558 -90.255 -0.628 1.00 0.00 N ATOM 37526 C8 A B1745 -13.234 -89.068 -0.468 1.00 0.00 C ATOM 37527 N7 A B1745 -13.227 -88.313 -1.526 1.00 0.00 N ATOM 37528 C5 A B1745 -12.499 -89.040 -2.454 1.00 0.00 C ATOM 37529 C6 A B1745 -12.130 -88.778 -3.783 1.00 0.00 C ATOM 37530 N6 A B1745 -12.468 -87.656 -4.435 1.00 0.00 N ATOM 37531 N1 A B1745 -11.400 -89.715 -4.423 1.00 0.00 N ATOM 37532 C2 A B1745 -11.074 -90.826 -3.763 1.00 0.00 C ATOM 37533 N3 A B1745 -11.356 -91.180 -2.530 1.00 0.00 N ATOM 37534 C4 A B1745 -12.086 -90.224 -1.916 1.00 0.00 C ATOM 37535 P A B1746 -8.431 -92.932 3.629 1.00 0.00 P ATOM 37536 O1P A B1746 -8.270 -94.404 3.623 1.00 0.00 O ATOM 37537 O2P A B1746 -8.577 -92.308 4.961 1.00 0.00 O ATOM 37538 O5* A B1746 -7.213 -92.253 2.841 1.00 0.00 O ATOM 37539 C5* A B1746 -5.968 -92.963 2.734 1.00 0.00 C ATOM 37540 C4* A B1746 -5.007 -92.196 1.850 1.00 0.00 C ATOM 37541 O4* A B1746 -5.511 -92.211 0.483 1.00 0.00 O ATOM 37542 C3* A B1746 -4.850 -90.709 2.168 1.00 0.00 C ATOM 37543 O3* A B1746 -3.919 -90.499 3.184 1.00 0.00 O ATOM 37544 C2* A B1746 -4.397 -90.141 0.824 1.00 0.00 C ATOM 37545 O2* A B1746 -3.032 -90.438 0.587 1.00 0.00 O ATOM 37546 C1* A B1746 -5.210 -90.979 -0.155 1.00 0.00 C ATOM 37547 N9 A B1746 -6.497 -90.345 -0.560 1.00 0.00 N ATOM 37548 C8 A B1746 -7.779 -90.665 -0.179 1.00 0.00 C ATOM 37549 N7 A B1746 -8.692 -89.914 -0.715 1.00 0.00 N ATOM 37550 C5 A B1746 -7.974 -89.031 -1.511 1.00 0.00 C ATOM 37551 C6 A B1746 -8.367 -87.974 -2.347 1.00 0.00 C ATOM 37552 N6 A B1746 -9.646 -87.611 -2.528 1.00 0.00 N ATOM 37553 N1 A B1746 -7.397 -87.301 -2.993 1.00 0.00 N ATOM 37554 C2 A B1746 -6.132 -87.665 -2.807 1.00 0.00 C ATOM 37555 N3 A B1746 -5.643 -88.630 -2.055 1.00 0.00 N ATOM 37556 C4 A B1746 -6.636 -89.289 -1.419 1.00 0.00 C ATOM 37557 P U B1747 -4.153 -89.262 4.221 1.00 0.00 P ATOM 37558 O1P U B1747 -3.294 -89.423 5.413 1.00 0.00 O ATOM 37559 O2P U B1747 -5.600 -89.112 4.487 1.00 0.00 O ATOM 37560 O5* U B1747 -3.634 -88.030 3.341 1.00 0.00 O ATOM 37561 C5* U B1747 -2.266 -88.021 2.891 1.00 0.00 C ATOM 37562 C4* U B1747 -2.031 -86.836 1.977 1.00 0.00 C ATOM 37563 O4* U B1747 -2.782 -87.031 0.745 1.00 0.00 O ATOM 37564 C3* U B1747 -2.524 -85.485 2.497 1.00 0.00 C ATOM 37565 O3* U B1747 -1.589 -84.889 3.340 1.00 0.00 O ATOM 37566 C2* U B1747 -2.733 -84.703 1.201 1.00 0.00 C ATOM 37567 O2* U B1747 -1.494 -84.269 0.670 1.00 0.00 O ATOM 37568 C1* U B1747 -3.263 -85.786 0.268 1.00 0.00 C ATOM 37569 N1 U B1747 -4.750 -85.856 0.216 1.00 0.00 N ATOM 37570 C2 U B1747 -5.400 -84.865 -0.478 1.00 0.00 C ATOM 37571 O2 U B1747 -4.813 -83.953 -1.036 1.00 0.00 O ATOM 37572 N3 U B1747 -6.775 -84.962 -0.505 1.00 0.00 N ATOM 37573 C4 U B1747 -7.538 -85.947 0.091 1.00 0.00 C ATOM 37574 O4 U B1747 -8.769 -85.929 -0.003 1.00 0.00 O ATOM 37575 C5 U B1747 -6.769 -86.944 0.795 1.00 0.00 C ATOM 37576 C6 U B1747 -5.427 -86.870 0.838 1.00 0.00 C ATOM 37577 P C B1748 -2.124 -83.982 4.587 1.00 0.00 P ATOM 37578 O1P C B1748 -1.030 -83.751 5.558 1.00 0.00 O ATOM 37579 O2P C B1748 -3.358 -84.585 5.141 1.00 0.00 O ATOM 37580 O5* C B1748 -2.480 -82.616 3.838 1.00 0.00 O ATOM 37581 C5* C B1748 -1.436 -81.907 3.150 1.00 0.00 C ATOM 37582 C4* C B1748 -2.015 -80.717 2.410 1.00 0.00 C ATOM 37583 O4* C B1748 -2.857 -81.202 1.323 1.00 0.00 O ATOM 37584 C3* C B1748 -2.947 -79.818 3.223 1.00 0.00 C ATOM 37585 O3* C B1748 -2.234 -78.878 3.961 1.00 0.00 O ATOM 37586 C2* C B1748 -3.808 -79.181 2.133 1.00 0.00 C ATOM 37587 O2* C B1748 -3.091 -78.163 1.457 1.00 0.00 O ATOM 37588 C1* C B1748 -3.967 -80.338 1.152 1.00 0.00 C ATOM 37589 N1 C B1748 -5.208 -81.139 1.367 1.00 0.00 N ATOM 37590 C2 C B1748 -6.419 -80.573 0.974 1.00 0.00 C ATOM 37591 O2 C B1748 -6.416 -79.445 0.470 1.00 0.00 O ATOM 37592 N3 C B1748 -7.560 -81.284 1.162 1.00 0.00 N ATOM 37593 C4 C B1748 -7.520 -82.507 1.713 1.00 0.00 C ATOM 37594 N4 C B1748 -8.661 -83.158 1.873 1.00 0.00 N ATOM 37595 C5 C B1748 -6.287 -83.104 2.123 1.00 0.00 C ATOM 37596 C6 C B1748 -5.157 -82.375 1.928 1.00 0.00 C ATOM 37597 P A B1749 -2.814 -78.419 5.419 1.00 0.00 P ATOM 37598 O1P A B1749 -1.765 -77.721 6.192 1.00 0.00 O ATOM 37599 O2P A B1749 -3.440 -79.581 6.086 1.00 0.00 O ATOM 37600 O5* A B1749 -3.946 -77.377 4.976 1.00 0.00 O ATOM 37601 C5* A B1749 -3.562 -76.207 4.229 1.00 0.00 C ATOM 37602 C4* A B1749 -4.795 -75.430 3.811 1.00 0.00 C ATOM 37603 O4* A B1749 -5.537 -76.217 2.837 1.00 0.00 O ATOM 37604 C3* A B1749 -5.814 -75.156 4.917 1.00 0.00 C ATOM 37605 O3* A B1749 -5.476 -74.021 5.652 1.00 0.00 O ATOM 37606 C2* A B1749 -7.107 -74.979 4.123 1.00 0.00 C ATOM 37607 O2* A B1749 -7.144 -73.708 3.499 1.00 0.00 O ATOM 37608 C1* A B1749 -6.933 -76.014 3.017 1.00 0.00 C ATOM 37609 N9 A B1749 -7.552 -77.333 3.328 1.00 0.00 N ATOM 37610 C8 A B1749 -6.943 -78.516 3.682 1.00 0.00 C ATOM 37611 N7 A B1749 -7.771 -79.494 3.886 1.00 0.00 N ATOM 37612 C5 A B1749 -9.018 -78.932 3.656 1.00 0.00 C ATOM 37613 C6 A B1749 -10.319 -79.456 3.712 1.00 0.00 C ATOM 37614 N6 A B1749 -10.589 -80.731 4.034 1.00 0.00 N ATOM 37615 N1 A B1749 -11.335 -78.624 3.425 1.00 0.00 N ATOM 37616 C2 A B1749 -11.060 -77.359 3.108 1.00 0.00 C ATOM 37617 N3 A B1749 -9.893 -76.759 3.023 1.00 0.00 N ATOM 37618 C4 A B1749 -8.892 -77.615 3.317 1.00 0.00 C ATOM 37619 P G B1750 -5.833 -73.984 7.246 1.00 0.00 P ATOM 37620 O1P G B1750 -5.087 -72.894 7.913 1.00 0.00 O ATOM 37621 O2P G B1750 -5.651 -75.334 7.822 1.00 0.00 O ATOM 37622 O5* G B1750 -7.391 -73.622 7.196 1.00 0.00 O ATOM 37623 C5* G B1750 -7.800 -72.384 6.587 1.00 0.00 C ATOM 37624 C4* G B1750 -9.312 -72.303 6.537 1.00 0.00 C ATOM 37625 O4* G B1750 -9.807 -73.307 5.606 1.00 0.00 O ATOM 37626 C3* G B1750 -10.040 -72.626 7.843 1.00 0.00 C ATOM 37627 O3* G B1750 -10.112 -71.510 8.677 1.00 0.00 O ATOM 37628 C2* G B1750 -11.409 -73.079 7.343 1.00 0.00 C ATOM 37629 O2* G B1750 -12.193 -71.966 6.950 1.00 0.00 O ATOM 37630 C1* G B1750 -11.038 -73.834 6.071 1.00 0.00 C ATOM 37631 N9 G B1750 -10.865 -75.300 6.277 1.00 0.00 N ATOM 37632 C8 G B1750 -9.704 -76.041 6.315 1.00 0.00 C ATOM 37633 N7 G B1750 -9.899 -77.324 6.513 1.00 0.00 N ATOM 37634 C5 G B1750 -11.283 -77.439 6.614 1.00 0.00 C ATOM 37635 C6 G B1750 -12.092 -78.583 6.829 1.00 0.00 C ATOM 37636 O6 G B1750 -11.747 -79.754 6.977 1.00 0.00 O ATOM 37637 N1 G B1750 -13.454 -78.250 6.860 1.00 0.00 N ATOM 37638 C2 G B1750 -13.969 -76.978 6.704 1.00 0.00 C ATOM 37639 N2 G B1750 -15.295 -76.869 6.768 1.00 0.00 N ATOM 37640 N3 G B1750 -13.207 -75.904 6.504 1.00 0.00 N ATOM 37641 C4 G B1750 -11.882 -76.209 6.469 1.00 0.00 C ATOM 37642 P U B1751 -10.047 -71.734 10.294 1.00 0.00 P ATOM 37643 O1P U B1751 -9.770 -70.449 10.975 1.00 0.00 O ATOM 37644 O2P U B1751 -9.117 -72.841 10.601 1.00 0.00 O ATOM 37645 O5* U B1751 -11.552 -72.193 10.592 1.00 0.00 O ATOM 37646 C5* U B1751 -12.631 -71.294 10.279 1.00 0.00 C ATOM 37647 C4* U B1751 -13.962 -71.975 10.526 1.00 0.00 C ATOM 37648 O4* U B1751 -14.130 -73.047 9.551 1.00 0.00 O ATOM 37649 C3* U B1751 -14.112 -72.680 11.875 1.00 0.00 C ATOM 37650 O3* U B1751 -14.500 -71.792 12.875 1.00 0.00 O ATOM 37651 C2* U B1751 -15.177 -73.730 11.572 1.00 0.00 C ATOM 37652 O2* U B1751 -16.464 -73.136 11.514 1.00 0.00 O ATOM 37653 C1* U B1751 -14.812 -74.137 10.149 1.00 0.00 C ATOM 37654 N1 U B1751 -13.921 -75.330 10.077 1.00 0.00 N ATOM 37655 C2 U B1751 -14.493 -76.553 10.342 1.00 0.00 C ATOM 37656 O2 U B1751 -15.671 -76.687 10.625 1.00 0.00 O ATOM 37657 N3 U B1751 -13.637 -77.632 10.265 1.00 0.00 N ATOM 37658 C4 U B1751 -12.292 -77.597 9.957 1.00 0.00 C ATOM 37659 O4 U B1751 -11.629 -78.633 9.919 1.00 0.00 O ATOM 37660 C5 U B1751 -11.785 -76.270 9.696 1.00 0.00 C ATOM 37661 C6 U B1751 -12.594 -75.199 9.763 1.00 0.00 C ATOM 37662 P C B1752 -14.516 -69.932 12.456 1.00 0.00 P ATOM 37663 O1P C B1752 -14.120 -69.173 13.663 1.00 0.00 O ATOM 37664 O2P C B1752 -15.886 -69.677 11.957 1.00 0.00 O ATOM 37665 O5* C B1752 -13.303 -69.453 11.077 1.00 0.00 O ATOM 37666 C5* C B1752 -12.033 -69.056 10.305 1.00 0.00 C ATOM 37667 C4* C B1752 -11.860 -68.609 8.707 1.00 0.00 C ATOM 37668 O4* C B1752 -12.946 -67.902 8.037 1.00 0.00 O ATOM 37669 C3* C B1752 -10.711 -68.556 7.705 1.00 0.00 C ATOM 37670 O3* C B1752 -9.194 -68.096 7.834 1.00 0.00 O ATOM 37671 C2* C B1752 -11.444 -68.694 6.372 1.00 0.00 C ATOM 37672 O2* C B1752 -11.840 -70.035 6.147 1.00 0.00 O ATOM 37673 C1* C B1752 -12.710 -67.894 6.633 1.00 0.00 C ATOM 37674 N1 C B1752 -12.648 -66.268 6.106 1.00 0.00 N ATOM 37675 C2 C B1752 -12.539 -66.032 4.742 1.00 0.00 C ATOM 37676 O2 C B1752 -12.475 -67.001 3.977 1.00 0.00 O ATOM 37677 N3 C B1752 -12.520 -64.751 4.297 1.00 0.00 N ATOM 37678 C4 C B1752 -12.595 -63.723 5.155 1.00 0.00 C ATOM 37679 N4 C B1752 -12.570 -62.494 4.671 1.00 0.00 N ATOM 37680 C5 C B1752 -12.701 -63.948 6.566 1.00 0.00 C ATOM 37681 C6 C B1752 -12.726 -65.237 6.992 1.00 0.00 C ATOM 37682 P G B1753 -7.755 -69.243 7.420 1.00 0.00 P ATOM 37683 O1P G B1753 -7.644 -69.389 5.951 1.00 0.00 O ATOM 37684 O2P G B1753 -8.005 -70.490 8.173 1.00 0.00 O ATOM 37685 O5* G B1753 -6.100 -68.669 8.106 1.00 0.00 O ATOM 37686 C5* G B1753 -5.179 -68.889 9.261 1.00 0.00 C ATOM 37687 C4* G B1753 -3.510 -68.943 9.309 1.00 0.00 C ATOM 37688 O4* G B1753 -3.422 -69.984 8.293 1.00 0.00 O ATOM 37689 C3* G B1753 -2.715 -67.781 8.711 1.00 0.00 C ATOM 37690 O3* G B1753 -2.040 -66.765 9.689 1.00 0.00 O ATOM 37691 C2* G B1753 -1.590 -68.507 7.974 1.00 0.00 C ATOM 37692 O2* G B1753 -0.611 -68.970 8.891 1.00 0.00 O ATOM 37693 C1* G B1753 -2.316 -69.737 7.443 1.00 0.00 C ATOM 37694 N9 G B1753 -2.886 -69.590 5.860 1.00 0.00 N ATOM 37695 C8 G B1753 -4.074 -70.025 5.324 1.00 0.00 C ATOM 37696 N7 G B1753 -4.273 -69.649 4.080 1.00 0.00 N ATOM 37697 C5 G B1753 -3.129 -68.908 3.776 1.00 0.00 C ATOM 37698 C6 G B1753 -2.769 -68.242 2.580 1.00 0.00 C ATOM 37699 O6 G B1753 -3.388 -68.168 1.521 1.00 0.00 O ATOM 37700 N1 G B1753 -1.523 -67.608 2.698 1.00 0.00 N ATOM 37701 C2 G B1753 -0.729 -67.618 3.834 1.00 0.00 C ATOM 37702 N2 G B1753 0.421 -66.957 3.745 1.00 0.00 N ATOM 37703 N3 G B1753 -1.072 -68.244 4.956 1.00 0.00 N ATOM 37704 C4 G B1753 -2.278 -68.866 4.858 1.00 0.00 C ATOM 37705 P A B1754 -3.081 -65.510 10.511 1.00 0.00 P ATOM 37706 O1P A B1754 -3.620 -66.029 11.787 1.00 0.00 O ATOM 37707 O2P A B1754 -4.073 -64.940 9.576 1.00 0.00 O ATOM 37708 O5* A B1754 -1.776 -64.247 10.738 1.00 0.00 O ATOM 37709 C5* A B1754 -2.165 -62.862 10.962 1.00 0.00 C ATOM 37710 C4* A B1754 -1.545 -62.248 12.354 1.00 0.00 C ATOM 37711 O4* A B1754 -1.592 -63.255 13.408 1.00 0.00 O ATOM 37712 C3* A B1754 -0.076 -61.816 12.327 1.00 0.00 C ATOM 37713 O3* A B1754 0.780 -61.503 11.072 1.00 0.00 O ATOM 37714 C2* A B1754 0.300 -61.875 13.808 1.00 0.00 C ATOM 37715 O2* A B1754 -0.225 -60.756 14.503 1.00 0.00 O ATOM 37716 C1* A B1754 -0.481 -63.098 14.270 1.00 0.00 C ATOM 37717 N9 A B1754 0.378 -64.500 14.266 1.00 0.00 N ATOM 37718 C8 A B1754 0.095 -65.672 13.602 1.00 0.00 C ATOM 37719 N7 A B1754 1.051 -66.550 13.652 1.00 0.00 N ATOM 37720 C5 A B1754 2.039 -65.920 14.397 1.00 0.00 C ATOM 37721 C6 A B1754 3.323 -66.332 14.802 1.00 0.00 C ATOM 37722 N6 A B1754 3.844 -67.528 14.503 1.00 0.00 N ATOM 37723 N1 A B1754 4.045 -65.465 15.534 1.00 0.00 N ATOM 37724 C2 A B1754 3.521 -64.279 15.829 1.00 0.00 C ATOM 37725 N3 A B1754 2.347 -63.786 15.504 1.00 0.00 N ATOM 37726 C4 A B1754 1.639 -64.675 14.774 1.00 0.00 C ATOM 37727 P A B1755 -0.158 -60.366 9.956 1.00 0.00 P ATOM 37728 O1P A B1755 -1.242 -59.960 10.881 1.00 0.00 O ATOM 37729 O2P A B1755 -0.589 -60.837 8.623 1.00 0.00 O ATOM 37730 O5* A B1755 1.078 -59.032 9.781 1.00 0.00 O ATOM 37731 C5* A B1755 0.772 -57.759 9.164 1.00 0.00 C ATOM 37732 C4* A B1755 0.717 -57.746 7.537 1.00 0.00 C ATOM 37733 O4* A B1755 -0.469 -57.386 6.770 1.00 0.00 O ATOM 37734 C3* A B1755 1.867 -57.112 6.760 1.00 0.00 C ATOM 37735 O3* A B1755 3.240 -57.546 7.284 1.00 0.00 O ATOM 37736 C2* A B1755 1.405 -57.271 5.312 1.00 0.00 C ATOM 37737 O2* A B1755 1.582 -58.612 4.874 1.00 0.00 O ATOM 37738 C1* A B1755 -0.099 -57.046 5.442 1.00 0.00 C ATOM 37739 N9 A B1755 -0.607 -55.449 5.137 1.00 0.00 N ATOM 37740 C8 A B1755 -0.062 -54.278 5.602 1.00 0.00 C ATOM 37741 N7 A B1755 -0.613 -53.210 5.108 1.00 0.00 N ATOM 37742 C5 A B1755 -1.595 -53.702 4.257 1.00 0.00 C ATOM 37743 C6 A B1755 -2.537 -53.067 3.433 1.00 0.00 C ATOM 37744 N6 A B1755 -2.648 -51.737 3.323 1.00 0.00 N ATOM 37745 N1 A B1755 -3.362 -53.855 2.721 1.00 0.00 N ATOM 37746 C2 A B1755 -3.247 -55.175 2.830 1.00 0.00 C ATOM 37747 N3 A B1755 -2.411 -55.876 3.564 1.00 0.00 N ATOM 37748 C4 A B1755 -1.595 -55.069 4.267 1.00 0.00 C ATOM 37749 P G B1756 4.575 -57.847 6.083 1.00 0.00 P ATOM 37750 O1P G B1756 4.320 -59.038 5.238 1.00 0.00 O ATOM 37751 O2P G B1756 5.905 -57.784 6.723 1.00 0.00 O ATOM 37752 O5* G B1756 4.140 -56.286 5.269 1.00 0.00 O ATOM 37753 C5* G B1756 4.783 -55.086 4.828 1.00 0.00 C ATOM 37754 C4* G B1756 6.096 -55.448 3.948 1.00 0.00 C ATOM 37755 O4* G B1756 5.992 -56.631 3.102 1.00 0.00 O ATOM 37756 C3* G B1756 6.856 -54.442 3.080 1.00 0.00 C ATOM 37757 O3* G B1756 7.580 -53.316 3.865 1.00 0.00 O ATOM 37758 C2* G B1756 7.834 -55.343 2.330 1.00 0.00 C ATOM 37759 O2* G B1756 8.907 -55.731 3.172 1.00 0.00 O ATOM 37760 C1* G B1756 6.984 -56.589 2.089 1.00 0.00 C ATOM 37761 N9 G B1756 6.198 -56.638 0.556 1.00 0.00 N ATOM 37762 C8 G B1756 5.028 -56.030 0.161 1.00 0.00 C ATOM 37763 N7 G B1756 4.660 -56.335 -1.063 1.00 0.00 N ATOM 37764 C5 G B1756 5.654 -57.209 -1.499 1.00 0.00 C ATOM 37765 C6 G B1756 5.804 -57.877 -2.742 1.00 0.00 C ATOM 37766 O6 G B1756 5.077 -57.833 -3.733 1.00 0.00 O ATOM 37767 N1 G B1756 6.959 -58.669 -2.763 1.00 0.00 N ATOM 37768 C2 G B1756 7.856 -58.800 -1.720 1.00 0.00 C ATOM 37769 N2 G B1756 8.898 -59.603 -1.938 1.00 0.00 N ATOM 37770 N3 G B1756 7.714 -58.172 -0.556 1.00 0.00 N ATOM 37771 C4 G B1756 6.594 -57.400 -0.519 1.00 0.00 C ATOM 37772 P A B1757 8.358 -53.649 5.506 1.00 0.00 P ATOM 37773 O1P A B1757 7.679 -54.735 6.246 1.00 0.00 O ATOM 37774 O2P A B1757 8.518 -52.377 6.244 1.00 0.00 O ATOM 37775 O5* A B1757 9.977 -54.202 4.849 1.00 0.00 O ATOM 37776 C5* A B1757 11.367 -54.601 5.006 1.00 0.00 C ATOM 37777 C4* A B1757 11.594 -56.161 5.468 1.00 0.00 C ATOM 37778 O4* A B1757 10.354 -56.898 5.659 1.00 0.00 O ATOM 37779 C3* A B1757 12.493 -57.141 4.718 1.00 0.00 C ATOM 37780 O3* A B1757 14.013 -56.890 4.731 1.00 0.00 O ATOM 37781 C2* A B1757 12.098 -58.478 5.332 1.00 0.00 C ATOM 37782 O2* A B1757 12.674 -58.630 6.618 1.00 0.00 O ATOM 37783 C1* A B1757 10.597 -58.289 5.540 1.00 0.00 C ATOM 37784 N9 A B1757 9.637 -58.888 4.296 1.00 0.00 N ATOM 37785 C8 A B1757 8.798 -58.195 3.451 1.00 0.00 C ATOM 37786 N7 A B1757 8.317 -58.907 2.483 1.00 0.00 N ATOM 37787 C5 A B1757 8.868 -60.164 2.688 1.00 0.00 C ATOM 37788 C6 A B1757 8.748 -61.377 1.989 1.00 0.00 C ATOM 37789 N6 A B1757 7.990 -61.527 0.893 1.00 0.00 N ATOM 37790 N1 A B1757 9.432 -62.433 2.463 1.00 0.00 N ATOM 37791 C2 A B1757 10.182 -62.281 3.553 1.00 0.00 C ATOM 37792 N3 A B1757 10.366 -61.205 4.284 1.00 0.00 N ATOM 37793 C4 A B1757 9.672 -60.159 3.791 1.00 0.00 C ATOM 37794 P U B1758 15.037 -58.347 4.275 1.00 0.00 P ATOM 37795 O1P U B1758 16.204 -57.921 3.474 1.00 0.00 O ATOM 37796 O2P U B1758 14.225 -59.436 3.692 1.00 0.00 O ATOM 37797 O5* U B1758 15.497 -58.748 5.999 1.00 0.00 O ATOM 37798 C5* U B1758 16.222 -59.501 7.006 1.00 0.00 C ATOM 37799 C4* U B1758 15.365 -60.623 7.813 1.00 0.00 C ATOM 37800 O4* U B1758 14.144 -61.108 7.175 1.00 0.00 O ATOM 37801 C3* U B1758 15.869 -61.833 8.600 1.00 0.00 C ATOM 37802 O3* U B1758 16.951 -61.672 9.673 1.00 0.00 O ATOM 37803 C2* U B1758 14.567 -62.474 9.071 1.00 0.00 C ATOM 37804 O2* U B1758 14.011 -61.754 10.154 1.00 0.00 O ATOM 37805 C1* U B1758 13.658 -62.244 7.868 1.00 0.00 C ATOM 37806 N1 U B1758 13.585 -63.533 6.787 1.00 0.00 N ATOM 37807 C2 U B1758 13.417 -64.788 7.320 1.00 0.00 C ATOM 37808 O2 U B1758 13.376 -64.998 8.527 1.00 0.00 O ATOM 37809 N3 U B1758 13.296 -65.811 6.407 1.00 0.00 N ATOM 37810 C4 U B1758 13.326 -65.688 5.029 1.00 0.00 C ATOM 37811 O4 U B1758 13.205 -66.683 4.307 1.00 0.00 O ATOM 37812 C5 U B1758 13.507 -64.334 4.563 1.00 0.00 C ATOM 37813 C6 U B1758 13.625 -63.320 5.436 1.00 0.00 C ATOM 37814 P A B1759 16.711 -62.310 11.383 1.00 0.00 P ATOM 37815 O1P A B1759 18.028 -62.284 12.058 1.00 0.00 O ATOM 37816 O2P A B1759 15.952 -63.574 11.506 1.00 0.00 O ATOM 37817 O5* A B1759 15.630 -60.919 11.839 1.00 0.00 O ATOM 37818 C5* A B1759 14.958 -59.830 12.476 1.00 0.00 C ATOM 37819 C4* A B1759 14.959 -59.930 14.099 1.00 0.00 C ATOM 37820 O4* A B1759 16.203 -59.630 14.797 1.00 0.00 O ATOM 37821 C3* A B1759 13.879 -59.276 14.961 1.00 0.00 C ATOM 37822 O3* A B1759 12.412 -59.374 14.634 1.00 0.00 O ATOM 37823 C2* A B1759 14.424 -59.500 16.370 1.00 0.00 C ATOM 37824 O2* A B1759 14.224 -60.840 16.783 1.00 0.00 O ATOM 37825 C1* A B1759 15.923 -59.319 16.154 1.00 0.00 C ATOM 37826 N9 A B1759 16.491 -57.780 16.468 1.00 0.00 N ATOM 37827 C8 A B1759 16.307 -56.637 15.728 1.00 0.00 C ATOM 37828 N7 A B1759 16.693 -55.549 16.326 1.00 0.00 N ATOM 37829 C5 A B1759 17.166 -55.992 17.551 1.00 0.00 C ATOM 37830 C6 A B1759 17.720 -55.322 18.653 1.00 0.00 C ATOM 37831 N6 A B1759 17.893 -53.990 18.694 1.00 0.00 N ATOM 37832 N1 A B1759 18.090 -56.062 19.709 1.00 0.00 N ATOM 37833 C2 A B1759 17.912 -57.381 19.664 1.00 0.00 C ATOM 37834 N3 A B1759 17.410 -58.119 18.696 1.00 0.00 N ATOM 37835 C4 A B1759 17.049 -57.348 17.646 1.00 0.00 C ATOM 37836 P C B1760 11.529 -57.771 14.621 1.00 0.00 P ATOM 37837 O1P C B1760 11.296 -57.232 15.979 1.00 0.00 O ATOM 37838 O2P C B1760 10.336 -57.856 13.749 1.00 0.00 O ATOM 37839 O5* C B1760 12.903 -56.928 13.783 1.00 0.00 O ATOM 37840 C5* C B1760 13.392 -56.076 12.746 1.00 0.00 C ATOM 37841 C4* C B1760 12.715 -56.318 11.297 1.00 0.00 C ATOM 37842 O4* C B1760 13.116 -57.456 10.479 1.00 0.00 O ATOM 37843 C3* C B1760 11.263 -56.069 10.892 1.00 0.00 C ATOM 37844 O3* C B1760 10.205 -55.190 11.553 1.00 0.00 O ATOM 37845 C2* C B1760 11.284 -56.392 9.400 1.00 0.00 C ATOM 37846 O2* C B1760 11.880 -55.340 8.666 1.00 0.00 O ATOM 37847 C1* C B1760 12.257 -57.569 9.358 1.00 0.00 C ATOM 37848 N1 C B1760 11.516 -59.107 9.402 1.00 0.00 N ATOM 37849 C2 C B1760 10.329 -59.276 8.691 1.00 0.00 C ATOM 37850 O2 C B1760 9.859 -58.306 8.080 1.00 0.00 O ATOM 37851 N3 C B1760 9.737 -60.491 8.693 1.00 0.00 N ATOM 37852 C4 C B1760 10.279 -61.516 9.366 1.00 0.00 C ATOM 37853 N4 C B1760 9.661 -62.687 9.337 1.00 0.00 N ATOM 37854 C5 C B1760 11.498 -61.361 10.106 1.00 0.00 C ATOM 37855 C6 C B1760 12.076 -60.136 10.092 1.00 0.00 C ATOM 37856 P C B1761 8.502 -55.891 11.466 1.00 0.00 P ATOM 37857 O1P C B1761 8.354 -57.077 12.345 1.00 0.00 O ATOM 37858 O2P C B1761 8.054 -56.071 10.066 1.00 0.00 O ATOM 37859 O5* C B1761 7.698 -54.436 12.216 1.00 0.00 O ATOM 37860 C5* C B1761 6.975 -53.227 11.937 1.00 0.00 C ATOM 37861 C4* C B1761 8.009 -52.001 12.053 1.00 0.00 C ATOM 37862 O4* C B1761 9.406 -52.397 11.959 1.00 0.00 O ATOM 37863 C3* C B1761 7.956 -50.657 11.325 1.00 0.00 C ATOM 37864 O3* C B1761 6.716 -49.781 11.488 1.00 0.00 O ATOM 37865 C2* C B1761 9.300 -50.038 11.702 1.00 0.00 C ATOM 37866 O2* C B1761 9.268 -49.547 13.032 1.00 0.00 O ATOM 37867 C1* C B1761 10.214 -51.263 11.703 1.00 0.00 C ATOM 37868 N1 C B1761 11.068 -51.525 10.225 1.00 0.00 N ATOM 37869 C2 C B1761 12.212 -50.768 9.994 1.00 0.00 C ATOM 37870 O2 C B1761 12.557 -49.933 10.839 1.00 0.00 O ATOM 37871 N3 C B1761 12.904 -50.968 8.840 1.00 0.00 N ATOM 37872 C4 C B1761 12.498 -51.879 7.949 1.00 0.00 C ATOM 37873 N4 C B1761 13.206 -52.044 6.843 1.00 0.00 N ATOM 37874 C5 C B1761 11.327 -52.671 8.175 1.00 0.00 C ATOM 37875 C6 C B1761 10.647 -52.456 9.327 1.00 0.00 C ATOM 37876 P A B1762 6.438 -48.851 13.054 1.00 0.00 P ATOM 37877 O1P A B1762 4.986 -48.588 13.173 1.00 0.00 O ATOM 37878 O2P A B1762 7.321 -47.674 13.206 1.00 0.00 O ATOM 37879 O5* A B1762 6.980 -50.188 14.176 1.00 0.00 O ATOM 37880 C5* A B1762 7.192 -50.564 15.552 1.00 0.00 C ATOM 37881 C4* A B1762 6.929 -52.130 15.829 1.00 0.00 C ATOM 37882 O4* A B1762 7.910 -53.183 15.623 1.00 0.00 O ATOM 37883 C3* A B1762 5.716 -52.861 16.407 1.00 0.00 C ATOM 37884 O3* A B1762 4.484 -52.148 16.984 1.00 0.00 O ATOM 37885 C2* A B1762 5.754 -54.187 15.653 1.00 0.00 C ATOM 37886 O2* A B1762 5.276 -54.028 14.328 1.00 0.00 O ATOM 37887 C1* A B1762 7.255 -54.441 15.556 1.00 0.00 C ATOM 37888 N9 A B1762 7.882 -55.431 16.771 1.00 0.00 N ATOM 37889 C8 A B1762 8.375 -55.064 18.005 1.00 0.00 C ATOM 37890 N7 A B1762 8.617 -56.068 18.790 1.00 0.00 N ATOM 37891 C5 A B1762 8.273 -57.178 18.039 1.00 0.00 C ATOM 37892 C6 A B1762 8.305 -58.556 18.310 1.00 0.00 C ATOM 37893 N6 A B1762 8.727 -59.072 19.474 1.00 0.00 N ATOM 37894 N1 A B1762 7.891 -59.388 17.334 1.00 0.00 N ATOM 37895 C2 A B1762 7.479 -58.873 16.179 1.00 0.00 C ATOM 37896 N3 A B1762 7.405 -57.610 15.815 1.00 0.00 N ATOM 37897 C4 A B1762 7.824 -56.799 16.807 1.00 0.00 C ATOM 37898 P G B1763 2.843 -52.831 16.593 1.00 0.00 P ATOM 37899 O1P G B1763 1.682 -52.473 17.443 1.00 0.00 O ATOM 37900 O2P G B1763 2.995 -54.269 16.287 1.00 0.00 O ATOM 37901 O5* G B1763 2.774 -51.626 15.250 1.00 0.00 O ATOM 37902 C5* G B1763 2.935 -51.156 13.949 1.00 0.00 C ATOM 37903 C4* G B1763 1.682 -50.288 13.378 1.00 0.00 C ATOM 37904 O4* G B1763 2.078 -49.598 12.156 1.00 0.00 O ATOM 37905 C3* G B1763 0.305 -50.860 13.045 1.00 0.00 C ATOM 37906 O3* G B1763 -0.457 -51.288 14.296 1.00 0.00 O ATOM 37907 C2* G B1763 -0.292 -49.770 12.162 1.00 0.00 C ATOM 37908 O2* G B1763 -0.721 -48.665 12.941 1.00 0.00 O ATOM 37909 C1* G B1763 0.928 -49.313 11.372 1.00 0.00 C ATOM 37910 N9 G B1763 1.117 -50.079 9.824 1.00 0.00 N ATOM 37911 C8 G B1763 0.593 -49.713 8.601 1.00 0.00 C ATOM 37912 N7 G B1763 1.008 -50.454 7.602 1.00 0.00 N ATOM 37913 C5 G B1763 1.868 -51.369 8.205 1.00 0.00 C ATOM 37914 C6 G B1763 2.622 -52.425 7.632 1.00 0.00 C ATOM 37915 O6 G B1763 2.692 -52.775 6.458 1.00 0.00 O ATOM 37916 N1 G B1763 3.364 -53.112 8.607 1.00 0.00 N ATOM 37917 C2 G B1763 3.375 -52.812 9.957 1.00 0.00 C ATOM 37918 N2 G B1763 4.150 -53.588 10.720 1.00 0.00 N ATOM 37919 N3 G B1763 2.665 -51.824 10.491 1.00 0.00 N ATOM 37920 C4 G B1763 1.940 -51.151 9.559 1.00 0.00 C ATOM 37921 P C B1764 -2.072 -52.188 14.279 1.00 0.00 P ATOM 37922 O1P C B1764 -3.246 -51.318 14.057 1.00 0.00 O ATOM 37923 O2P C B1764 -2.066 -52.954 15.546 1.00 0.00 O ATOM 37924 O5* C B1764 -1.897 -53.188 13.041 1.00 0.00 O ATOM 37925 C5* C B1764 -0.656 -53.190 12.316 1.00 0.00 C ATOM 37926 C4* C B1764 -0.665 -54.294 11.276 1.00 0.00 C ATOM 37927 O4* C B1764 -0.657 -55.582 11.953 1.00 0.00 O ATOM 37928 C3* C B1764 -1.908 -54.354 10.384 1.00 0.00 C ATOM 37929 O3* C B1764 -1.807 -53.479 9.305 1.00 0.00 O ATOM 37930 C2* C B1764 -1.918 -55.820 9.954 1.00 0.00 C ATOM 37931 O2* C B1764 -0.943 -56.058 8.951 1.00 0.00 O ATOM 37932 C1* C B1764 -1.433 -56.518 11.221 1.00 0.00 C ATOM 37933 N1 C B1764 -2.536 -56.989 12.104 1.00 0.00 N ATOM 37934 C2 C B1764 -3.254 -58.113 11.703 1.00 0.00 C ATOM 37935 O2 C B1764 -2.947 -58.667 10.641 1.00 0.00 O ATOM 37936 N3 C B1764 -4.263 -58.560 12.495 1.00 0.00 N ATOM 37937 C4 C B1764 -4.560 -57.930 13.636 1.00 0.00 C ATOM 37938 N4 C B1764 -5.555 -58.407 14.373 1.00 0.00 N ATOM 37939 C5 C B1764 -3.838 -56.773 14.066 1.00 0.00 C ATOM 37940 C6 C B1764 -2.834 -56.341 13.263 1.00 0.00 C ATOM 37941 P U B1765 -3.164 -52.763 8.749 1.00 0.00 P ATOM 37942 O1P U B1765 -2.817 -51.618 7.874 1.00 0.00 O ATOM 37943 O2P U B1765 -4.061 -52.454 9.885 1.00 0.00 O ATOM 37944 O5* U B1765 -3.789 -53.944 7.870 1.00 0.00 O ATOM 37945 C5* U B1765 -3.035 -54.464 6.759 1.00 0.00 C ATOM 37946 C4* U B1765 -3.755 -55.649 6.152 1.00 0.00 C ATOM 37947 O4* U B1765 -3.737 -56.750 7.106 1.00 0.00 O ATOM 37948 C3* U B1765 -5.243 -55.446 5.854 1.00 0.00 C ATOM 37949 O3* U B1765 -5.437 -54.830 4.620 1.00 0.00 O ATOM 37950 C2* U B1765 -5.774 -56.878 5.889 1.00 0.00 C ATOM 37951 O2* U B1765 -5.427 -57.572 4.702 1.00 0.00 O ATOM 37952 C1* U B1765 -4.945 -57.488 7.016 1.00 0.00 C ATOM 37953 N1 U B1765 -5.615 -57.432 8.347 1.00 0.00 N ATOM 37954 C2 U B1765 -6.653 -58.308 8.559 1.00 0.00 C ATOM 37955 O2 U B1765 -7.032 -59.105 7.719 1.00 0.00 O ATOM 37956 N3 U B1765 -7.249 -58.230 9.801 1.00 0.00 N ATOM 37957 C4 U B1765 -6.903 -57.369 10.825 1.00 0.00 C ATOM 37958 O4 U B1765 -7.512 -57.390 11.897 1.00 0.00 O ATOM 37959 C5 U B1765 -5.805 -56.489 10.506 1.00 0.00 C ATOM 37960 C6 U B1765 -5.207 -56.544 9.304 1.00 0.00 C ATOM 37961 P G B1766 -6.700 -53.810 4.444 1.00 0.00 P ATOM 37962 O1P G B1766 -6.530 -52.991 3.222 1.00 0.00 O ATOM 37963 O2P G B1766 -6.902 -53.056 5.699 1.00 0.00 O ATOM 37964 O5* G B1766 -7.897 -54.850 4.237 1.00 0.00 O ATOM 37965 C5* G B1766 -7.855 -55.752 3.115 1.00 0.00 C ATOM 37966 C4* G B1766 -9.016 -56.723 3.184 1.00 0.00 C ATOM 37967 O4* G B1766 -8.824 -57.606 4.326 1.00 0.00 O ATOM 37968 C3* G B1766 -10.391 -56.098 3.430 1.00 0.00 C ATOM 37969 O3* G B1766 -10.968 -55.654 2.241 1.00 0.00 O ATOM 37970 C2* G B1766 -11.158 -57.258 4.060 1.00 0.00 C ATOM 37971 O2* G B1766 -11.542 -58.203 3.076 1.00 0.00 O ATOM 37972 C1* G B1766 -10.078 -57.915 4.912 1.00 0.00 C ATOM 37973 N9 G B1766 -10.055 -57.441 6.324 1.00 0.00 N ATOM 37974 C8 G B1766 -9.160 -56.597 6.944 1.00 0.00 C ATOM 37975 N7 G B1766 -9.427 -56.377 8.210 1.00 0.00 N ATOM 37976 C5 G B1766 -10.580 -57.126 8.442 1.00 0.00 C ATOM 37977 C6 G B1766 -11.341 -57.286 9.628 1.00 0.00 C ATOM 37978 O6 G B1766 -11.154 -56.791 10.737 1.00 0.00 O ATOM 37979 N1 G B1766 -12.434 -58.137 9.423 1.00 0.00 N ATOM 37980 C2 G B1766 -12.753 -58.754 8.226 1.00 0.00 C ATOM 37981 N2 G B1766 -13.839 -59.529 8.237 1.00 0.00 N ATOM 37982 N3 G B1766 -12.037 -58.604 7.115 1.00 0.00 N ATOM 37983 C4 G B1766 -10.971 -57.778 7.297 1.00 0.00 C ATOM 37984 P G B1767 -11.913 -54.321 2.280 1.00 0.00 P ATOM 37985 O1P G B1767 -12.121 -53.804 0.909 1.00 0.00 O ATOM 37986 O2P G B1767 -11.361 -53.355 3.255 1.00 0.00 O ATOM 37987 O5* G B1767 -13.277 -54.938 2.843 1.00 0.00 O ATOM 37988 C5* G B1767 -13.940 -55.969 2.089 1.00 0.00 C ATOM 37989 C4* G B1767 -15.137 -56.488 2.859 1.00 0.00 C ATOM 37990 O4* G B1767 -14.661 -57.197 4.042 1.00 0.00 O ATOM 37991 C3* G B1767 -16.080 -55.425 3.423 1.00 0.00 C ATOM 37992 O3* G B1767 -17.009 -55.009 2.474 1.00 0.00 O ATOM 37993 C2* G B1767 -16.727 -56.160 4.597 1.00 0.00 C ATOM 37994 O2* G B1767 -17.709 -57.073 4.137 1.00 0.00 O ATOM 37995 C1* G B1767 -15.560 -56.990 5.121 1.00 0.00 C ATOM 37996 N9 G B1767 -14.807 -56.332 6.224 1.00 0.00 N ATOM 37997 C8 G B1767 -13.565 -55.735 6.199 1.00 0.00 C ATOM 37998 N7 G B1767 -13.183 -55.244 7.353 1.00 0.00 N ATOM 37999 C5 G B1767 -14.247 -55.537 8.205 1.00 0.00 C ATOM 38000 C6 G B1767 -14.418 -55.256 9.585 1.00 0.00 C ATOM 38001 O6 G B1767 -13.651 -54.678 10.353 1.00 0.00 O ATOM 38002 N1 G B1767 -15.648 -55.727 10.056 1.00 0.00 N ATOM 38003 C2 G B1767 -16.593 -56.386 9.295 1.00 0.00 C ATOM 38004 N2 G B1767 -17.708 -56.757 9.931 1.00 0.00 N ATOM 38005 N3 G B1767 -16.433 -56.651 7.999 1.00 0.00 N ATOM 38006 C4 G B1767 -15.243 -56.199 7.526 1.00 0.00 C ATOM 38007 P C B1768 -17.507 -53.456 2.492 1.00 0.00 P ATOM 38008 O1P C B1768 -18.184 -53.118 1.219 1.00 0.00 O ATOM 38009 O2P C B1768 -16.380 -52.578 2.872 1.00 0.00 O ATOM 38010 O5* C B1768 -18.583 -53.500 3.679 1.00 0.00 O ATOM 38011 C5* C B1768 -19.724 -54.365 3.553 1.00 0.00 C ATOM 38012 C4* C B1768 -20.536 -54.344 4.832 1.00 0.00 C ATOM 38013 O4* C B1768 -19.758 -54.975 5.893 1.00 0.00 O ATOM 38014 C3* C B1768 -20.863 -52.957 5.391 1.00 0.00 C ATOM 38015 O3* C B1768 -21.997 -52.421 4.785 1.00 0.00 O ATOM 38016 C2* C B1768 -21.069 -53.251 6.874 1.00 0.00 C ATOM 38017 O2* C B1768 -22.330 -53.858 7.096 1.00 0.00 O ATOM 38018 C1* C B1768 -20.011 -54.323 7.128 1.00 0.00 C ATOM 38019 N1 C B1768 -18.719 -53.777 7.631 1.00 0.00 N ATOM 38020 C2 C B1768 -18.668 -53.347 8.955 1.00 0.00 C ATOM 38021 O2 C B1768 -19.687 -53.433 9.649 1.00 0.00 O ATOM 38022 N3 C B1768 -17.499 -52.848 9.435 1.00 0.00 N ATOM 38023 C4 C B1768 -16.417 -52.773 8.651 1.00 0.00 C ATOM 38024 N4 C B1768 -15.302 -52.278 9.165 1.00 0.00 N ATOM 38025 C5 C B1768 -16.448 -53.208 7.286 1.00 0.00 C ATOM 38026 C6 C B1768 -17.626 -53.702 6.827 1.00 0.00 C ATOM 38027 P U B1769 -22.072 -50.805 4.560 1.00 0.00 P ATOM 38028 O1P U B1769 -23.148 -50.473 3.598 1.00 0.00 O ATOM 38029 O2P U B1769 -20.725 -50.292 4.221 1.00 0.00 O ATOM 38030 O5* U B1769 -22.486 -50.314 6.025 1.00 0.00 O ATOM 38031 C5* U B1769 -23.729 -50.772 6.589 1.00 0.00 C ATOM 38032 C4* U B1769 -23.857 -50.289 8.020 1.00 0.00 C ATOM 38033 O4* U B1769 -22.853 -50.962 8.835 1.00 0.00 O ATOM 38034 C3* U B1769 -23.581 -48.803 8.249 1.00 0.00 C ATOM 38035 O3* U B1769 -24.711 -48.030 7.997 1.00 0.00 O ATOM 38036 C2* U B1769 -23.166 -48.779 9.719 1.00 0.00 C ATOM 38037 O2* U B1769 -24.297 -48.902 10.562 1.00 0.00 O ATOM 38038 C1* U B1769 -22.377 -50.078 9.837 1.00 0.00 C ATOM 38039 N1 U B1769 -20.910 -49.910 9.641 1.00 0.00 N ATOM 38040 C2 U B1769 -20.206 -49.323 10.666 1.00 0.00 C ATOM 38041 O2 U B1769 -20.729 -48.947 11.700 1.00 0.00 O ATOM 38042 N3 U B1769 -18.848 -49.184 10.448 1.00 0.00 N ATOM 38043 C4 U B1769 -18.157 -49.570 9.320 1.00 0.00 C ATOM 38044 O4 U B1769 -16.939 -49.393 9.237 1.00 0.00 O ATOM 38045 C5 U B1769 -18.983 -50.175 8.300 1.00 0.00 C ATOM 38046 C6 U B1769 -20.304 -50.322 8.486 1.00 0.00 C ATOM 38047 P G B1770 -24.513 -46.534 7.373 1.00 0.00 P ATOM 38048 O1P G B1770 -25.799 -46.025 6.839 1.00 0.00 O ATOM 38049 O2P G B1770 -23.379 -46.541 6.420 1.00 0.00 O ATOM 38050 O5* G B1770 -24.110 -45.712 8.685 1.00 0.00 O ATOM 38051 C5* G B1770 -25.039 -45.652 9.784 1.00 0.00 C ATOM 38052 C4* G B1770 -24.407 -44.936 10.959 1.00 0.00 C ATOM 38053 O4* G B1770 -23.326 -45.757 11.486 1.00 0.00 O ATOM 38054 C3* G B1770 -23.731 -43.600 10.642 1.00 0.00 C ATOM 38055 O3* G B1770 -24.646 -42.552 10.630 1.00 0.00 O ATOM 38056 C2* G B1770 -22.711 -43.482 11.772 1.00 0.00 C ATOM 38057 O2* G B1770 -23.347 -43.100 12.982 1.00 0.00 O ATOM 38058 C1* G B1770 -22.268 -44.929 11.941 1.00 0.00 C ATOM 38059 N9 G B1770 -21.045 -45.276 11.164 1.00 0.00 N ATOM 38060 C8 G B1770 -20.927 -46.022 10.014 1.00 0.00 C ATOM 38061 N7 G B1770 -19.697 -46.144 9.578 1.00 0.00 N ATOM 38062 C5 G B1770 -18.945 -45.422 10.507 1.00 0.00 C ATOM 38063 C6 G B1770 -17.549 -45.189 10.565 1.00 0.00 C ATOM 38064 O6 G B1770 -16.669 -45.577 9.801 1.00 0.00 O ATOM 38065 N1 G B1770 -17.208 -44.404 11.677 1.00 0.00 N ATOM 38066 C2 G B1770 -18.099 -43.909 12.607 1.00 0.00 C ATOM 38067 N2 G B1770 -17.576 -43.181 13.595 1.00 0.00 N ATOM 38068 N3 G B1770 -19.412 -44.128 12.549 1.00 0.00 N ATOM 38069 C4 G B1770 -19.759 -44.890 11.477 1.00 0.00 C ATOM 38070 P C B1771 -24.157 -40.900 9.683 1.00 0.00 P ATOM 38071 O1P C B1771 -25.450 -40.480 10.267 1.00 0.00 O ATOM 38072 O2P C B1771 -24.066 -40.832 8.208 1.00 0.00 O ATOM 38073 O5* C B1771 -22.968 -40.054 10.339 1.00 0.00 O ATOM 38074 C5* C B1771 -22.815 -40.057 11.771 1.00 0.00 C ATOM 38075 C4* C B1771 -21.562 -39.301 12.160 1.00 0.00 C ATOM 38076 O4* C B1771 -20.399 -40.050 11.704 1.00 0.00 O ATOM 38077 C3* C B1771 -21.386 -37.922 11.516 1.00 0.00 C ATOM 38078 O3* C B1771 -22.074 -36.941 12.224 1.00 0.00 O ATOM 38079 C2* C B1771 -19.872 -37.736 11.568 1.00 0.00 C ATOM 38080 O2* C B1771 -19.453 -37.399 12.880 1.00 0.00 O ATOM 38081 C1* C B1771 -19.378 -39.155 11.295 1.00 0.00 C ATOM 38082 N1 C B1771 -19.081 -39.416 9.859 1.00 0.00 N ATOM 38083 C2 C B1771 -17.926 -38.858 9.322 1.00 0.00 C ATOM 38084 O2 C B1771 -17.200 -38.173 10.050 1.00 0.00 O ATOM 38085 N3 C B1771 -17.636 -39.086 8.014 1.00 0.00 N ATOM 38086 C4 C B1771 -18.451 -39.834 7.256 1.00 0.00 C ATOM 38087 N4 C B1771 -18.127 -40.027 5.987 1.00 0.00 N ATOM 38088 C5 C B1771 -19.646 -40.418 7.791 1.00 0.00 C ATOM 38089 C6 C B1771 -19.915 -40.179 9.098 1.00 0.00 C ATOM 38090 P A B1772 -22.726 -35.691 11.395 1.00 0.00 P ATOM 38091 O1P A B1772 -23.703 -34.973 12.242 1.00 0.00 O ATOM 38092 O2P A B1772 -23.235 -36.177 10.095 1.00 0.00 O ATOM 38093 O5* A B1772 -21.431 -34.776 11.165 1.00 0.00 O ATOM 38094 C5* A B1772 -20.722 -34.269 12.312 1.00 0.00 C ATOM 38095 C4* A B1772 -19.472 -33.540 11.865 1.00 0.00 C ATOM 38096 O4* A B1772 -18.540 -34.507 11.300 1.00 0.00 O ATOM 38097 C3* A B1772 -19.661 -32.516 10.746 1.00 0.00 C ATOM 38098 O3* A B1772 -20.074 -31.282 11.246 1.00 0.00 O ATOM 38099 C2* A B1772 -18.267 -32.463 10.123 1.00 0.00 C ATOM 38100 O2* A B1772 -17.383 -31.708 10.935 1.00 0.00 O ATOM 38101 C1* A B1772 -17.828 -33.918 10.222 1.00 0.00 C ATOM 38102 N9 A B1772 -18.113 -34.713 8.994 1.00 0.00 N ATOM 38103 C8 A B1772 -19.086 -35.665 8.784 1.00 0.00 C ATOM 38104 N7 A B1772 -19.070 -36.179 7.593 1.00 0.00 N ATOM 38105 C5 A B1772 -18.019 -35.531 6.961 1.00 0.00 C ATOM 38106 C6 A B1772 -17.484 -35.632 5.667 1.00 0.00 C ATOM 38107 N6 A B1772 -17.960 -36.468 4.733 1.00 0.00 N ATOM 38108 N1 A B1772 -16.434 -34.844 5.367 1.00 0.00 N ATOM 38109 C2 A B1772 -15.967 -34.014 6.300 1.00 0.00 C ATOM 38110 N3 A B1772 -16.383 -33.833 7.533 1.00 0.00 N ATOM 38111 C4 A B1772 -17.431 -34.637 7.809 1.00 0.00 C ATOM 38112 P A B1773 -21.564 -30.488 10.533 1.00 0.00 P ATOM 38113 O1P A B1773 -22.520 -30.173 11.620 1.00 0.00 O ATOM 38114 O2P A B1773 -22.130 -31.198 9.367 1.00 0.00 O ATOM 38115 O5* A B1773 -20.603 -29.023 10.027 1.00 0.00 O ATOM 38116 C5* A B1773 -19.663 -28.383 9.137 1.00 0.00 C ATOM 38117 C4* A B1773 -18.864 -29.483 8.256 1.00 0.00 C ATOM 38118 O4* A B1773 -19.588 -30.714 7.976 1.00 0.00 O ATOM 38119 C3* A B1773 -18.012 -29.268 7.001 1.00 0.00 C ATOM 38120 O3* A B1773 -16.998 -28.112 6.914 1.00 0.00 O ATOM 38121 C2* A B1773 -17.635 -30.699 6.622 1.00 0.00 C ATOM 38122 O2* A B1773 -16.619 -31.199 7.472 1.00 0.00 O ATOM 38123 C1* A B1773 -18.915 -31.456 6.968 1.00 0.00 C ATOM 38124 N9 A B1773 -19.968 -31.673 5.680 1.00 0.00 N ATOM 38125 C8 A B1773 -21.289 -32.051 5.712 1.00 0.00 C ATOM 38126 N7 A B1773 -21.793 -32.298 4.544 1.00 0.00 N ATOM 38127 C5 A B1773 -20.747 -32.068 3.669 1.00 0.00 C ATOM 38128 C6 A B1773 -20.641 -32.153 2.271 1.00 0.00 C ATOM 38129 N6 A B1773 -21.655 -32.513 1.472 1.00 0.00 N ATOM 38130 N1 A B1773 -19.451 -31.854 1.719 1.00 0.00 N ATOM 38131 C2 A B1773 -18.445 -31.496 2.514 1.00 0.00 C ATOM 38132 N3 A B1773 -18.424 -31.380 3.826 1.00 0.00 N ATOM 38133 C4 A B1773 -19.628 -31.688 4.353 1.00 0.00 C ATOM 38134 P C B1774 -15.213 -28.449 6.642 1.00 0.00 P ATOM 38135 O1P C B1774 -14.941 -29.430 5.565 1.00 0.00 O ATOM 38136 O2P C B1774 -14.558 -28.725 7.940 1.00 0.00 O ATOM 38137 O5* C B1774 -14.863 -26.770 6.008 1.00 0.00 O ATOM 38138 C5* C B1774 -13.846 -26.087 5.230 1.00 0.00 C ATOM 38139 C4* C B1774 -12.633 -25.515 6.158 1.00 0.00 C ATOM 38140 O4* C B1774 -12.758 -25.871 7.564 1.00 0.00 O ATOM 38141 C3* C B1774 -11.142 -25.683 5.865 1.00 0.00 C ATOM 38142 O3* C B1774 -10.465 -25.261 4.515 1.00 0.00 O ATOM 38143 C2* C B1774 -10.503 -25.227 7.175 1.00 0.00 C ATOM 38144 O2* C B1774 -10.525 -23.813 7.273 1.00 0.00 O ATOM 38145 C1* C B1774 -11.496 -25.756 8.204 1.00 0.00 C ATOM 38146 N1 C B1774 -11.089 -27.286 8.873 1.00 0.00 N ATOM 38147 C2 C B1774 -9.892 -27.390 9.580 1.00 0.00 C ATOM 38148 O2 C B1774 -9.165 -26.391 9.672 1.00 0.00 O ATOM 38149 N3 C B1774 -9.565 -28.584 10.144 1.00 0.00 N ATOM 38150 C4 C B1774 -10.377 -29.638 10.020 1.00 0.00 C ATOM 38151 N4 C B1774 -10.016 -30.781 10.585 1.00 0.00 N ATOM 38152 C5 C B1774 -11.614 -29.554 9.296 1.00 0.00 C ATOM 38153 C6 C B1774 -11.919 -28.355 8.744 1.00 0.00 C ATOM 38154 P U B1775 -8.760 -26.005 4.313 1.00 0.00 P ATOM 38155 O1P U B1775 -8.654 -27.254 3.531 1.00 0.00 O ATOM 38156 O2P U B1775 -8.365 -26.097 5.736 1.00 0.00 O ATOM 38157 O5* U B1775 -7.925 -24.843 3.596 1.00 0.00 O ATOM 38158 C5* U B1775 -7.278 -25.124 2.339 1.00 0.00 C ATOM 38159 C4* U B1775 -6.654 -23.861 1.784 1.00 0.00 C ATOM 38160 O4* U B1775 -7.716 -22.936 1.409 1.00 0.00 O ATOM 38161 C3* U B1775 -5.794 -23.053 2.759 1.00 0.00 C ATOM 38162 O3* U B1775 -4.493 -23.547 2.819 1.00 0.00 O ATOM 38163 C2* U B1775 -5.869 -21.650 2.168 1.00 0.00 C ATOM 38164 O2* U B1775 -5.029 -21.541 1.029 1.00 0.00 O ATOM 38165 C1* U B1775 -7.306 -21.602 1.664 1.00 0.00 C ATOM 38166 N1 U B1775 -8.264 -21.008 2.642 1.00 0.00 N ATOM 38167 C2 U B1775 -8.217 -19.644 2.811 1.00 0.00 C ATOM 38168 O2 U B1775 -7.442 -18.927 2.204 1.00 0.00 O ATOM 38169 N3 U B1775 -9.116 -19.131 3.726 1.00 0.00 N ATOM 38170 C4 U B1775 -10.032 -19.850 4.465 1.00 0.00 C ATOM 38171 O4 U B1775 -10.791 -19.277 5.253 1.00 0.00 O ATOM 38172 C5 U B1775 -10.005 -21.272 4.220 1.00 0.00 C ATOM 38173 C6 U B1775 -9.141 -21.797 3.335 1.00 0.00 C ATOM 38174 P G B1776 -3.690 -23.471 4.241 1.00 0.00 P ATOM 38175 O1P G B1776 -2.501 -24.354 4.204 1.00 0.00 O ATOM 38176 O2P G B1776 -4.634 -23.712 5.356 1.00 0.00 O ATOM 38177 O5* G B1776 -3.228 -21.940 4.244 1.00 0.00 O ATOM 38178 C5* G B1776 -2.372 -21.469 3.187 1.00 0.00 C ATOM 38179 C4* G B1776 -2.166 -19.972 3.318 1.00 0.00 C ATOM 38180 O4* G B1776 -3.427 -19.297 3.050 1.00 0.00 O ATOM 38181 C3* G B1776 -1.773 -19.472 4.709 1.00 0.00 C ATOM 38182 O3* G B1776 -0.399 -19.576 4.921 1.00 0.00 O ATOM 38183 C2* G B1776 -2.256 -18.026 4.678 1.00 0.00 C ATOM 38184 O2* G B1776 -1.372 -17.215 3.920 1.00 0.00 O ATOM 38185 C1* G B1776 -3.546 -18.149 3.875 1.00 0.00 C ATOM 38186 N9 G B1776 -4.763 -18.314 4.716 1.00 0.00 N ATOM 38187 C8 G B1776 -5.523 -19.442 4.940 1.00 0.00 C ATOM 38188 N7 G B1776 -6.542 -19.250 5.743 1.00 0.00 N ATOM 38189 C5 G B1776 -6.450 -17.898 6.077 1.00 0.00 C ATOM 38190 C6 G B1776 -7.274 -17.107 6.915 1.00 0.00 C ATOM 38191 O6 G B1776 -8.274 -17.440 7.547 1.00 0.00 O ATOM 38192 N1 G B1776 -6.824 -15.783 6.976 1.00 0.00 N ATOM 38193 C2 G B1776 -5.718 -15.287 6.315 1.00 0.00 C ATOM 38194 N2 G B1776 -5.451 -13.994 6.504 1.00 0.00 N ATOM 38195 N3 G B1776 -4.943 -16.031 5.527 1.00 0.00 N ATOM 38196 C4 G B1776 -5.368 -17.318 5.457 1.00 0.00 C ATOM 38197 P U B1777 0.140 -19.910 6.425 1.00 0.00 P ATOM 38198 O1P U B1777 1.555 -20.338 6.379 1.00 0.00 O ATOM 38199 O2P U B1777 -0.792 -20.852 7.085 1.00 0.00 O ATOM 38200 O5* U B1777 0.032 -18.471 7.112 1.00 0.00 O ATOM 38201 C5* U B1777 0.796 -17.379 6.566 1.00 0.00 C ATOM 38202 C4* U B1777 0.450 -16.093 7.286 1.00 0.00 C ATOM 38203 O4* U B1777 -0.925 -15.728 6.965 1.00 0.00 O ATOM 38204 C3* U B1777 0.464 -16.160 8.815 1.00 0.00 C ATOM 38205 O3* U B1777 1.747 -15.975 9.321 1.00 0.00 O ATOM 38206 C2* U B1777 -0.487 -15.027 9.194 1.00 0.00 C ATOM 38207 O2* U B1777 0.143 -13.769 9.045 1.00 0.00 O ATOM 38208 C1* U B1777 -1.543 -15.129 8.094 1.00 0.00 C ATOM 38209 N1 U B1777 -2.720 -15.960 8.471 1.00 0.00 N ATOM 38210 C2 U B1777 -3.616 -15.411 9.355 1.00 0.00 C ATOM 38211 O2 U B1777 -3.479 -14.292 9.828 1.00 0.00 O ATOM 38212 N3 U B1777 -4.696 -16.208 9.679 1.00 0.00 N ATOM 38213 C4 U B1777 -4.946 -17.480 9.203 1.00 0.00 C ATOM 38214 O4 U B1777 -5.949 -18.098 9.567 1.00 0.00 O ATOM 38215 C5 U B1777 -3.948 -17.971 8.283 1.00 0.00 C ATOM 38216 C6 U B1777 -2.888 -17.213 7.949 1.00 0.00 C ATOM 38217 P U B1778 2.177 -16.774 10.681 1.00 0.00 P ATOM 38218 O1P U B1778 3.647 -16.744 10.849 1.00 0.00 O ATOM 38219 O2P U B1778 1.555 -18.116 10.679 1.00 0.00 O ATOM 38220 O5* U B1778 1.487 -15.858 11.795 1.00 0.00 O ATOM 38221 C5* U B1778 1.881 -14.479 11.909 1.00 0.00 C ATOM 38222 C4* U B1778 1.018 -13.773 12.936 1.00 0.00 C ATOM 38223 O4* U B1778 -0.343 -13.685 12.428 1.00 0.00 O ATOM 38224 C3* U B1778 0.862 -14.488 14.279 1.00 0.00 C ATOM 38225 O3* U B1778 1.928 -14.207 15.134 1.00 0.00 O ATOM 38226 C2* U B1778 -0.466 -13.929 14.787 1.00 0.00 C ATOM 38227 O2* U B1778 -0.299 -12.611 15.281 1.00 0.00 O ATOM 38228 C1* U B1778 -1.268 -13.821 13.496 1.00 0.00 C ATOM 38229 N1 U B1778 -2.118 -15.013 13.219 1.00 0.00 N ATOM 38230 C2 U B1778 -3.257 -15.160 13.978 1.00 0.00 C ATOM 38231 O2 U B1778 -3.578 -14.366 14.846 1.00 0.00 O ATOM 38232 N3 U B1778 -4.019 -16.275 13.691 1.00 0.00 N ATOM 38233 C4 U B1778 -3.744 -17.229 12.736 1.00 0.00 C ATOM 38234 O4 U B1778 -4.506 -18.187 12.572 1.00 0.00 O ATOM 38235 C5 U B1778 -2.534 -16.991 11.991 1.00 0.00 C ATOM 38236 C6 U B1778 -1.771 -15.914 12.246 1.00 0.00 C ATOM 38237 P U B1779 2.435 -15.368 16.163 1.00 0.00 P ATOM 38238 O1P U B1779 3.765 -15.025 16.708 1.00 0.00 O ATOM 38239 O2P U B1779 2.324 -16.689 15.509 1.00 0.00 O ATOM 38240 O5* U B1779 1.329 -15.245 17.319 1.00 0.00 O ATOM 38241 C5* U B1779 1.201 -14.000 18.029 1.00 0.00 C ATOM 38242 C4* U B1779 0.024 -14.069 18.981 1.00 0.00 C ATOM 38243 O4* U B1779 -1.207 -14.135 18.204 1.00 0.00 O ATOM 38244 C3* U B1779 -0.039 -15.304 19.877 1.00 0.00 C ATOM 38245 O3* U B1779 0.742 -15.150 21.021 1.00 0.00 O ATOM 38246 C2* U B1779 -1.531 -15.398 20.191 1.00 0.00 C ATOM 38247 O2* U B1779 -1.900 -14.430 21.161 1.00 0.00 O ATOM 38248 C1* U B1779 -2.151 -14.958 18.870 1.00 0.00 C ATOM 38249 N1 U B1779 -2.491 -16.091 17.962 1.00 0.00 N ATOM 38250 C2 U B1779 -3.589 -16.848 18.290 1.00 0.00 C ATOM 38251 O2 U B1779 -4.275 -16.628 19.272 1.00 0.00 O ATOM 38252 N3 U B1779 -3.873 -17.890 17.428 1.00 0.00 N ATOM 38253 C4 U B1779 -3.163 -18.225 16.291 1.00 0.00 C ATOM 38254 O4 U B1779 -3.515 -19.181 15.595 1.00 0.00 O ATOM 38255 C5 U B1779 -2.027 -17.374 16.027 1.00 0.00 C ATOM 38256 C6 U B1779 -1.731 -16.355 16.854 1.00 0.00 C ATOM 38257 P A B1780 2.529 -15.509 20.870 1.00 0.00 P ATOM 38258 O1P A B1780 3.437 -14.713 21.724 1.00 0.00 O ATOM 38259 O2P A B1780 2.899 -15.593 19.439 1.00 0.00 O ATOM 38260 O5* A B1780 2.168 -17.129 21.596 1.00 0.00 O ATOM 38261 C5* A B1780 1.242 -17.902 20.825 1.00 0.00 C ATOM 38262 C4* A B1780 1.561 -19.481 20.910 1.00 0.00 C ATOM 38263 O4* A B1780 0.859 -20.165 21.988 1.00 0.00 O ATOM 38264 C3* A B1780 1.375 -20.407 19.709 1.00 0.00 C ATOM 38265 O3* A B1780 2.357 -20.154 18.552 1.00 0.00 O ATOM 38266 C2* A B1780 1.432 -21.788 20.356 1.00 0.00 C ATOM 38267 O2* A B1780 2.767 -22.144 20.673 1.00 0.00 O ATOM 38268 C1* A B1780 0.716 -21.541 21.679 1.00 0.00 C ATOM 38269 N9 A B1780 -0.925 -21.915 21.670 1.00 0.00 N ATOM 38270 C8 A B1780 -1.937 -21.306 20.961 1.00 0.00 C ATOM 38271 N7 A B1780 -3.126 -21.706 21.293 1.00 0.00 N ATOM 38272 C5 A B1780 -2.897 -22.649 22.287 1.00 0.00 C ATOM 38273 C6 A B1780 -3.762 -23.445 23.055 1.00 0.00 C ATOM 38274 N6 A B1780 -5.097 -23.416 22.926 1.00 0.00 N ATOM 38275 N1 A B1780 -3.206 -24.270 23.956 1.00 0.00 N ATOM 38276 C2 A B1780 -1.881 -24.292 24.076 1.00 0.00 C ATOM 38277 N3 A B1780 -0.976 -23.598 23.416 1.00 0.00 N ATOM 38278 C4 A B1780 -1.561 -22.780 22.524 1.00 0.00 C ATOM 38279 P U B1781 2.259 -21.367 17.185 1.00 0.00 P ATOM 38280 O1P U B1781 2.427 -20.718 15.864 1.00 0.00 O ATOM 38281 O2P U B1781 1.067 -22.236 17.330 1.00 0.00 O ATOM 38282 O5* U B1781 3.789 -22.229 17.693 1.00 0.00 O ATOM 38283 C5* U B1781 5.005 -22.829 17.192 1.00 0.00 C ATOM 38284 C4* U B1781 5.245 -24.398 17.572 1.00 0.00 C ATOM 38285 O4* U B1781 5.456 -24.712 18.979 1.00 0.00 O ATOM 38286 C3* U B1781 4.384 -25.553 17.061 1.00 0.00 C ATOM 38287 O3* U B1781 4.317 -25.800 15.543 1.00 0.00 O ATOM 38288 C2* U B1781 4.941 -26.740 17.851 1.00 0.00 C ATOM 38289 O2* U B1781 6.177 -27.170 17.318 1.00 0.00 O ATOM 38290 C1* U B1781 5.232 -26.097 19.202 1.00 0.00 C ATOM 38291 N1 U B1781 3.989 -26.259 20.346 1.00 0.00 N ATOM 38292 C2 U B1781 3.436 -27.509 20.495 1.00 0.00 C ATOM 38293 O2 U B1781 3.846 -28.489 19.900 1.00 0.00 O ATOM 38294 N3 U B1781 2.376 -27.586 21.374 1.00 0.00 N ATOM 38295 C4 U B1781 1.830 -26.540 22.098 1.00 0.00 C ATOM 38296 O4 U B1781 0.881 -26.735 22.859 1.00 0.00 O ATOM 38297 C5 U B1781 2.475 -25.270 21.871 1.00 0.00 C ATOM 38298 C6 U B1781 3.509 -25.170 21.018 1.00 0.00 C ATOM 38299 P U B1782 3.027 -24.956 14.536 1.00 0.00 P ATOM 38300 O1P U B1782 3.681 -24.280 13.393 1.00 0.00 O ATOM 38301 O2P U B1782 2.104 -24.120 15.337 1.00 0.00 O ATOM 38302 O5* U B1782 2.179 -26.488 13.982 1.00 0.00 O ATOM 38303 C5* U B1782 0.972 -27.014 13.348 1.00 0.00 C ATOM 38304 C4* U B1782 -0.066 -27.735 14.401 1.00 0.00 C ATOM 38305 O4* U B1782 0.601 -28.017 15.662 1.00 0.00 O ATOM 38306 C3* U B1782 -1.415 -27.151 14.820 1.00 0.00 C ATOM 38307 O3* U B1782 -2.468 -26.671 13.826 1.00 0.00 O ATOM 38308 C2* U B1782 -1.738 -27.963 16.074 1.00 0.00 C ATOM 38309 O2* U B1782 -2.179 -29.265 15.732 1.00 0.00 O ATOM 38310 C1* U B1782 -0.357 -28.111 16.703 1.00 0.00 C ATOM 38311 N1 U B1782 0.012 -26.948 17.871 1.00 0.00 N ATOM 38312 C2 U B1782 -0.488 -27.152 19.136 1.00 0.00 C ATOM 38313 O2 U B1782 -1.095 -28.164 19.454 1.00 0.00 O ATOM 38314 N3 U B1782 -0.257 -26.133 20.036 1.00 0.00 N ATOM 38315 C4 U B1782 0.416 -24.951 19.786 1.00 0.00 C ATOM 38316 O4 U B1782 0.559 -24.111 20.671 1.00 0.00 O ATOM 38317 C5 U B1782 0.903 -24.832 18.427 1.00 0.00 C ATOM 38318 C6 U B1782 0.690 -25.806 17.535 1.00 0.00 C ATOM 38319 P A B1783 -3.023 -27.854 12.551 1.00 0.00 P ATOM 38320 O1P A B1783 -2.699 -29.248 12.939 1.00 0.00 O ATOM 38321 O2P A B1783 -2.631 -27.459 11.174 1.00 0.00 O ATOM 38322 O5* A B1783 -4.778 -27.527 12.930 1.00 0.00 O ATOM 38323 C5* A B1783 -5.610 -28.663 13.256 1.00 0.00 C ATOM 38324 C4* A B1783 -5.674 -29.021 14.839 1.00 0.00 C ATOM 38325 O4* A B1783 -4.475 -28.963 15.663 1.00 0.00 O ATOM 38326 C3* A B1783 -6.747 -28.357 15.709 1.00 0.00 C ATOM 38327 O3* A B1783 -8.132 -28.635 15.152 1.00 0.00 O ATOM 38328 C2* A B1783 -6.355 -28.820 17.111 1.00 0.00 C ATOM 38329 O2* A B1783 -6.735 -30.167 17.318 1.00 0.00 O ATOM 38330 C1* A B1783 -4.831 -28.798 17.026 1.00 0.00 C ATOM 38331 N9 A B1783 -4.118 -27.384 17.590 1.00 0.00 N ATOM 38332 C8 A B1783 -3.408 -26.444 16.881 1.00 0.00 C ATOM 38333 N7 A B1783 -2.845 -25.537 17.623 1.00 0.00 N ATOM 38334 C5 A B1783 -3.200 -25.894 18.916 1.00 0.00 C ATOM 38335 C6 A B1783 -2.916 -25.328 20.169 1.00 0.00 C ATOM 38336 N6 A B1783 -2.166 -24.224 20.329 1.00 0.00 N ATOM 38337 N1 A B1783 -3.426 -25.935 21.254 1.00 0.00 N ATOM 38338 C2 A B1783 -4.171 -27.027 21.091 1.00 0.00 C ATOM 38339 N3 A B1783 -4.505 -27.645 19.976 1.00 0.00 N ATOM 38340 C4 A B1783 -3.976 -27.020 18.904 1.00 0.00 C ATOM 38341 P A B1784 -8.789 -27.319 14.080 1.00 0.00 P ATOM 38342 O1P A B1784 -9.328 -27.843 12.806 1.00 0.00 O ATOM 38343 O2P A B1784 -7.898 -26.142 13.968 1.00 0.00 O ATOM 38344 O5* A B1784 -10.085 -27.147 15.329 1.00 0.00 O ATOM 38345 C5* A B1784 -10.147 -28.096 16.418 1.00 0.00 C ATOM 38346 C4* A B1784 -9.859 -27.389 17.839 1.00 0.00 C ATOM 38347 O4* A B1784 -8.526 -27.358 18.422 1.00 0.00 O ATOM 38348 C3* A B1784 -10.407 -25.987 18.098 1.00 0.00 C ATOM 38349 O3* A B1784 -11.955 -26.101 17.938 1.00 0.00 O ATOM 38350 C2* A B1784 -9.815 -25.658 19.464 1.00 0.00 C ATOM 38351 O2* A B1784 -10.521 -26.337 20.488 1.00 0.00 O ATOM 38352 C1* A B1784 -8.439 -26.303 19.365 1.00 0.00 C ATOM 38353 N9 A B1784 -7.206 -25.259 18.882 1.00 0.00 N ATOM 38354 C8 A B1784 -6.311 -25.417 17.849 1.00 0.00 C ATOM 38355 N7 A B1784 -5.358 -24.536 17.840 1.00 0.00 N ATOM 38356 C5 A B1784 -5.633 -23.736 18.937 1.00 0.00 C ATOM 38357 C6 A B1784 -4.987 -22.610 19.475 1.00 0.00 C ATOM 38358 N6 A B1784 -3.873 -22.077 18.951 1.00 0.00 N ATOM 38359 N1 A B1784 -5.524 -22.052 20.576 1.00 0.00 N ATOM 38360 C2 A B1784 -6.630 -22.587 21.090 1.00 0.00 C ATOM 38361 N3 A B1784 -7.320 -23.628 20.678 1.00 0.00 N ATOM 38362 C4 A B1784 -6.756 -24.168 19.577 1.00 0.00 C ATOM 38363 P A B1785 -12.656 -25.213 16.530 1.00 0.00 P ATOM 38364 O1P A B1785 -14.093 -25.385 16.234 1.00 0.00 O ATOM 38365 O2P A B1785 -11.756 -25.171 15.355 1.00 0.00 O ATOM 38366 O5* A B1785 -12.438 -23.905 17.425 1.00 0.00 O ATOM 38367 C5* A B1785 -13.152 -23.783 18.668 1.00 0.00 C ATOM 38368 C4* A B1785 -12.703 -22.536 19.404 1.00 0.00 C ATOM 38369 O4* A B1785 -11.323 -22.712 19.834 1.00 0.00 O ATOM 38370 C3* A B1785 -12.668 -21.253 18.577 1.00 0.00 C ATOM 38371 O3* A B1785 -13.920 -20.643 18.525 1.00 0.00 O ATOM 38372 C2* A B1785 -11.639 -20.414 19.329 1.00 0.00 C ATOM 38373 O2* A B1785 -12.199 -19.873 20.516 1.00 0.00 O ATOM 38374 C1* A B1785 -10.631 -21.474 19.759 1.00 0.00 C ATOM 38375 N9 A B1785 -9.494 -21.639 18.815 1.00 0.00 N ATOM 38376 C8 A B1785 -9.250 -22.653 17.916 1.00 0.00 C ATOM 38377 N7 A B1785 -8.160 -22.501 17.229 1.00 0.00 N ATOM 38378 C5 A B1785 -7.635 -21.304 17.695 1.00 0.00 C ATOM 38379 C6 A B1785 -6.479 -20.581 17.363 1.00 0.00 C ATOM 38380 N6 A B1785 -5.598 -20.984 16.437 1.00 0.00 N ATOM 38381 N1 A B1785 -6.256 -19.427 18.019 1.00 0.00 N ATOM 38382 C2 A B1785 -7.138 -19.032 18.940 1.00 0.00 C ATOM 38383 N3 A B1785 -8.248 -19.619 19.332 1.00 0.00 N ATOM 38384 C4 A B1785 -8.443 -20.773 18.660 1.00 0.00 C ATOM 38385 P A B1786 -14.352 -19.844 17.168 1.00 0.00 P ATOM 38386 O1P A B1786 -15.810 -19.598 17.160 1.00 0.00 O ATOM 38387 O2P A B1786 -13.810 -20.553 15.988 1.00 0.00 O ATOM 38388 O5* A B1786 -13.569 -18.464 17.373 1.00 0.00 O ATOM 38389 C5* A B1786 -13.875 -17.651 18.520 1.00 0.00 C ATOM 38390 C4* A B1786 -12.937 -16.462 18.581 1.00 0.00 C ATOM 38391 O4* A B1786 -11.591 -16.940 18.866 1.00 0.00 O ATOM 38392 C3* A B1786 -12.779 -15.671 17.284 1.00 0.00 C ATOM 38393 O3* A B1786 -13.797 -14.730 17.132 1.00 0.00 O ATOM 38394 C2* A B1786 -11.406 -15.032 17.461 1.00 0.00 C ATOM 38395 O2* A B1786 -11.474 -13.934 18.357 1.00 0.00 O ATOM 38396 C1* A B1786 -10.640 -16.142 18.179 1.00 0.00 C ATOM 38397 N9 A B1786 -9.872 -17.029 17.261 1.00 0.00 N ATOM 38398 C8 A B1786 -10.150 -18.318 16.868 1.00 0.00 C ATOM 38399 N7 A B1786 -9.276 -18.820 16.052 1.00 0.00 N ATOM 38400 C5 A B1786 -8.351 -17.799 15.885 1.00 0.00 C ATOM 38401 C6 A B1786 -7.171 -17.705 15.128 1.00 0.00 C ATOM 38402 N6 A B1786 -6.701 -18.701 14.365 1.00 0.00 N ATOM 38403 N1 A B1786 -6.488 -16.549 15.187 1.00 0.00 N ATOM 38404 C2 A B1786 -6.959 -15.561 15.949 1.00 0.00 C ATOM 38405 N3 A B1786 -8.045 -15.533 16.694 1.00 0.00 N ATOM 38406 C4 A B1786 -8.710 -16.706 16.617 1.00 0.00 C ATOM 38407 P A B1787 -14.333 -14.390 15.630 1.00 0.00 P ATOM 38408 O1P A B1787 -15.625 -13.668 15.697 1.00 0.00 O ATOM 38409 O2P A B1787 -14.329 -15.626 14.814 1.00 0.00 O ATOM 38410 O5* A B1787 -13.187 -13.398 15.115 1.00 0.00 O ATOM 38411 C5* A B1787 -12.958 -12.167 15.828 1.00 0.00 C ATOM 38412 C4* A B1787 -11.753 -11.451 15.249 1.00 0.00 C ATOM 38413 O4* A B1787 -10.558 -12.228 15.540 1.00 0.00 O ATOM 38414 C3* A B1787 -11.734 -11.303 13.727 1.00 0.00 C ATOM 38415 O3* A B1787 -12.466 -10.191 13.312 1.00 0.00 O ATOM 38416 C2* A B1787 -10.244 -11.166 13.440 1.00 0.00 C ATOM 38417 O2* A B1787 -9.783 -9.869 13.773 1.00 0.00 O ATOM 38418 C1* A B1787 -9.642 -12.124 14.462 1.00 0.00 C ATOM 38419 N9 A B1787 -9.403 -13.495 13.930 1.00 0.00 N ATOM 38420 C8 A B1787 -10.106 -14.655 14.171 1.00 0.00 C ATOM 38421 N7 A B1787 -9.639 -15.694 13.549 1.00 0.00 N ATOM 38422 C5 A B1787 -8.552 -15.201 12.844 1.00 0.00 C ATOM 38423 C6 A B1787 -7.629 -15.808 11.979 1.00 0.00 C ATOM 38424 N6 A B1787 -7.656 -17.113 11.667 1.00 0.00 N ATOM 38425 N1 A B1787 -6.673 -15.029 11.442 1.00 0.00 N ATOM 38426 C2 A B1787 -6.650 -13.735 11.756 1.00 0.00 C ATOM 38427 N3 A B1787 -7.455 -13.057 12.546 1.00 0.00 N ATOM 38428 C4 A B1787 -8.403 -13.861 13.068 1.00 0.00 C ATOM 38429 P C B1788 -13.268 -10.265 11.892 1.00 0.00 P ATOM 38430 O1P C B1788 -14.256 -9.165 11.805 1.00 0.00 O ATOM 38431 O2P C B1788 -13.803 -11.630 11.699 1.00 0.00 O ATOM 38432 O5* C B1788 -12.073 -10.000 10.859 1.00 0.00 O ATOM 38433 C5* C B1788 -11.348 -8.758 10.935 1.00 0.00 C ATOM 38434 C4* C B1788 -10.191 -8.773 9.955 1.00 0.00 C ATOM 38435 O4* C B1788 -9.210 -9.754 10.403 1.00 0.00 O ATOM 38436 C3* C B1788 -10.529 -9.211 8.533 1.00 0.00 C ATOM 38437 O3* C B1788 -11.020 -8.152 7.774 1.00 0.00 O ATOM 38438 C2* C B1788 -9.183 -9.724 8.028 1.00 0.00 C ATOM 38439 O2* C B1788 -8.322 -8.643 7.706 1.00 0.00 O ATOM 38440 C1* C B1788 -8.613 -10.383 9.280 1.00 0.00 C ATOM 38441 N1 C B1788 -8.894 -11.845 9.369 1.00 0.00 N ATOM 38442 C2 C B1788 -8.173 -12.695 8.536 1.00 0.00 C ATOM 38443 O2 C B1788 -7.338 -12.208 7.766 1.00 0.00 O ATOM 38444 N3 C B1788 -8.414 -14.029 8.598 1.00 0.00 N ATOM 38445 C4 C B1788 -9.329 -14.518 9.445 1.00 0.00 C ATOM 38446 N4 C B1788 -9.527 -15.826 9.472 1.00 0.00 N ATOM 38447 C5 C B1788 -10.082 -13.658 10.312 1.00 0.00 C ATOM 38448 C6 C B1788 -9.825 -12.329 10.231 1.00 0.00 C ATOM 38449 P A B1789 -12.152 -8.459 6.636 1.00 0.00 P ATOM 38450 O1P A B1789 -12.802 -7.199 6.208 1.00 0.00 O ATOM 38451 O2P A B1789 -13.062 -9.521 7.123 1.00 0.00 O ATOM 38452 O5* A B1789 -11.238 -9.031 5.451 1.00 0.00 O ATOM 38453 C5* A B1789 -10.218 -8.183 4.889 1.00 0.00 C ATOM 38454 C4* A B1789 -9.401 -8.963 3.877 1.00 0.00 C ATOM 38455 O4* A B1789 -8.637 -9.986 4.577 1.00 0.00 O ATOM 38456 C3* A B1789 -10.204 -9.749 2.839 1.00 0.00 C ATOM 38457 O3* A B1789 -10.574 -8.943 1.765 1.00 0.00 O ATOM 38458 C2* A B1789 -9.217 -10.845 2.438 1.00 0.00 C ATOM 38459 O2* A B1789 -8.220 -10.336 1.575 1.00 0.00 O ATOM 38460 C1* A B1789 -8.543 -11.149 3.772 1.00 0.00 C ATOM 38461 N9 A B1789 -9.169 -12.278 4.517 1.00 0.00 N ATOM 38462 C8 A B1789 -9.968 -12.239 5.634 1.00 0.00 C ATOM 38463 N7 A B1789 -10.356 -13.406 6.046 1.00 0.00 N ATOM 38464 C5 A B1789 -9.782 -14.289 5.142 1.00 0.00 C ATOM 38465 C6 A B1789 -9.816 -15.688 5.029 1.00 0.00 C ATOM 38466 N6 A B1789 -10.488 -16.481 5.877 1.00 0.00 N ATOM 38467 N1 A B1789 -9.135 -16.247 4.011 1.00 0.00 N ATOM 38468 C2 A B1789 -8.470 -15.452 3.175 1.00 0.00 C ATOM 38469 N3 A B1789 -8.364 -14.144 3.180 1.00 0.00 N ATOM 38470 C4 A B1789 -9.057 -13.608 4.206 1.00 0.00 C ATOM 38471 P C B1790 -9.603 -9.298 0.169 1.00 0.00 P ATOM 38472 O1P C B1790 -9.843 -8.542 -1.083 1.00 0.00 O ATOM 38473 O2P C B1790 -9.865 -10.755 0.090 1.00 0.00 O ATOM 38474 O5* C B1790 -7.793 -8.888 0.280 1.00 0.00 O ATOM 38475 C5* C B1790 -6.930 -9.074 -0.905 1.00 0.00 C ATOM 38476 C4* C B1790 -7.453 -9.139 -2.528 1.00 0.00 C ATOM 38477 O4* C B1790 -6.848 -10.404 -2.926 1.00 0.00 O ATOM 38478 C3* C B1790 -7.410 -8.293 -3.801 1.00 0.00 C ATOM 38479 O3* C B1790 -8.638 -7.908 -4.861 1.00 0.00 O ATOM 38480 C2* C B1790 -6.085 -8.722 -4.423 1.00 0.00 C ATOM 38481 O2* C B1790 -4.993 -8.123 -3.752 1.00 0.00 O ATOM 38482 C1* C B1790 -6.055 -10.210 -4.090 1.00 0.00 C ATOM 38483 N1 C B1790 -6.637 -11.197 -5.287 1.00 0.00 N ATOM 38484 C2 C B1790 -6.711 -10.678 -6.577 1.00 0.00 C ATOM 38485 O2 C B1790 -6.321 -9.524 -6.774 1.00 0.00 O ATOM 38486 N3 C B1790 -7.207 -11.463 -7.568 1.00 0.00 N ATOM 38487 C4 C B1790 -7.619 -12.713 -7.306 1.00 0.00 C ATOM 38488 N4 C B1790 -8.093 -13.439 -8.308 1.00 0.00 N ATOM 38489 C5 C B1790 -7.554 -13.265 -5.989 1.00 0.00 C ATOM 38490 C6 C B1790 -7.054 -12.463 -5.011 1.00 0.00 C ATOM 38491 P A B1791 -9.218 -6.144 -5.328 1.00 0.00 P ATOM 38492 O1P A B1791 -8.023 -5.287 -5.158 1.00 0.00 O ATOM 38493 O2P A B1791 -10.379 -5.803 -4.485 1.00 0.00 O ATOM 38494 O5* A B1791 -9.596 -5.723 -7.152 1.00 0.00 O ATOM 38495 C5* A B1791 -10.021 -4.613 -8.129 1.00 0.00 C ATOM 38496 C4* A B1791 -9.254 -3.192 -8.670 1.00 0.00 C ATOM 38497 O4* A B1791 -9.704 -1.832 -8.395 1.00 0.00 O ATOM 38498 C3* A B1791 -8.113 -3.002 -9.678 1.00 0.00 C ATOM 38499 O3* A B1791 -7.369 -4.199 -10.431 1.00 0.00 O ATOM 38500 C2* A B1791 -8.611 -1.820 -10.507 1.00 0.00 C ATOM 38501 O2* A B1791 -9.613 -2.235 -11.416 1.00 0.00 O ATOM 38502 C1* A B1791 -9.302 -0.968 -9.446 1.00 0.00 C ATOM 38503 N9 A B1791 -8.262 0.356 -8.737 1.00 0.00 N ATOM 38504 C8 A B1791 -7.582 0.360 -7.540 1.00 0.00 C ATOM 38505 N7 A B1791 -7.059 1.511 -7.236 1.00 0.00 N ATOM 38506 C5 A B1791 -7.415 2.332 -8.295 1.00 0.00 C ATOM 38507 C6 A B1791 -7.162 3.686 -8.572 1.00 0.00 C ATOM 38508 N6 A B1791 -6.458 4.485 -7.759 1.00 0.00 N ATOM 38509 N1 A B1791 -7.665 4.190 -9.716 1.00 0.00 N ATOM 38510 C2 A B1791 -8.364 3.386 -10.518 1.00 0.00 C ATOM 38511 N3 A B1791 -8.660 2.113 -10.367 1.00 0.00 N ATOM 38512 C4 A B1791 -8.147 1.634 -9.215 1.00 0.00 C ATOM 38513 P G B1792 -6.327 -4.046 -12.003 1.00 0.00 P ATOM 38514 O1P G B1792 -6.496 -2.606 -12.296 1.00 0.00 O ATOM 38515 O2P G B1792 -6.751 -4.977 -13.075 1.00 0.00 O ATOM 38516 O5* G B1792 -4.806 -4.341 -11.599 1.00 0.00 O ATOM 38517 C5* G B1792 -3.976 -3.251 -11.160 1.00 0.00 C ATOM 38518 C4* G B1792 -2.624 -3.773 -10.714 1.00 0.00 C ATOM 38519 O4* G B1792 -2.802 -4.563 -9.502 1.00 0.00 O ATOM 38520 C3* G B1792 -1.932 -4.733 -11.681 1.00 0.00 C ATOM 38521 O3* G B1792 -1.225 -4.047 -12.665 1.00 0.00 O ATOM 38522 C2* G B1792 -1.023 -5.525 -10.744 1.00 0.00 C ATOM 38523 O2* G B1792 0.114 -4.759 -10.377 1.00 0.00 O ATOM 38524 C1* G B1792 -1.894 -5.651 -9.500 1.00 0.00 C ATOM 38525 N9 G B1792 -2.685 -6.914 -9.451 1.00 0.00 N ATOM 38526 C8 G B1792 -4.035 -7.102 -9.659 1.00 0.00 C ATOM 38527 N7 G B1792 -4.422 -8.350 -9.538 1.00 0.00 N ATOM 38528 C5 G B1792 -3.247 -9.035 -9.229 1.00 0.00 C ATOM 38529 C6 G B1792 -3.033 -10.415 -8.983 1.00 0.00 C ATOM 38530 O6 G B1792 -3.846 -11.334 -8.989 1.00 0.00 O ATOM 38531 N1 G B1792 -1.683 -10.680 -8.706 1.00 0.00 N ATOM 38532 C2 G B1792 -0.675 -9.737 -8.673 1.00 0.00 C ATOM 38533 N2 G B1792 0.545 -10.192 -8.389 1.00 0.00 N ATOM 38534 N3 G B1792 -0.879 -8.443 -8.902 1.00 0.00 N ATOM 38535 C4 G B1792 -2.184 -8.167 -9.173 1.00 0.00 C ATOM 38536 P C B1793 -1.127 -4.697 -14.158 1.00 0.00 P ATOM 38537 O1P C B1793 -0.673 -3.680 -15.132 1.00 0.00 O ATOM 38538 O2P C B1793 -2.402 -5.374 -14.486 1.00 0.00 O ATOM 38539 O5* C B1793 0.024 -5.786 -13.939 1.00 0.00 O ATOM 38540 C5* C B1793 1.332 -5.348 -13.525 1.00 0.00 C ATOM 38541 C4* C B1793 2.222 -6.543 -13.258 1.00 0.00 C ATOM 38542 O4* C B1793 1.723 -7.247 -12.083 1.00 0.00 O ATOM 38543 C3* C B1793 2.240 -7.614 -14.348 1.00 0.00 C ATOM 38544 O3* C B1793 3.147 -7.300 -15.357 1.00 0.00 O ATOM 38545 C2* C B1793 2.643 -8.863 -13.563 1.00 0.00 C ATOM 38546 O2* C B1793 4.031 -8.848 -13.273 1.00 0.00 O ATOM 38547 C1* C B1793 1.913 -8.644 -12.243 1.00 0.00 C ATOM 38548 N1 C B1793 0.576 -9.300 -12.184 1.00 0.00 N ATOM 38549 C2 C B1793 0.536 -10.683 -12.034 1.00 0.00 C ATOM 38550 O2 C B1793 1.602 -11.305 -11.953 1.00 0.00 O ATOM 38551 N3 C B1793 -0.672 -11.299 -11.977 1.00 0.00 N ATOM 38552 C4 C B1793 -1.804 -10.590 -12.066 1.00 0.00 C ATOM 38553 N4 C B1793 -2.956 -11.238 -12.005 1.00 0.00 N ATOM 38554 C5 C B1793 -1.787 -9.166 -12.223 1.00 0.00 C ATOM 38555 C6 C B1793 -0.568 -8.570 -12.276 1.00 0.00 C ATOM 38556 P A B1794 2.797 -7.741 -16.890 1.00 0.00 P ATOM 38557 O1P A B1794 3.668 -7.013 -17.844 1.00 0.00 O ATOM 38558 O2P A B1794 1.342 -7.611 -17.119 1.00 0.00 O ATOM 38559 O5* A B1794 3.203 -9.289 -16.861 1.00 0.00 O ATOM 38560 C5* A B1794 4.566 -9.647 -16.559 1.00 0.00 C ATOM 38561 C4* A B1794 4.695 -11.153 -16.459 1.00 0.00 C ATOM 38562 O4* A B1794 3.968 -11.612 -15.282 1.00 0.00 O ATOM 38563 C3* A B1794 4.079 -11.952 -17.609 1.00 0.00 C ATOM 38564 O3* A B1794 4.955 -12.051 -18.688 1.00 0.00 O ATOM 38565 C2* A B1794 3.804 -13.301 -16.949 1.00 0.00 C ATOM 38566 O2* A B1794 5.003 -14.047 -16.803 1.00 0.00 O ATOM 38567 C1* A B1794 3.378 -12.872 -15.546 1.00 0.00 C ATOM 38568 N9 A B1794 1.904 -12.734 -15.385 1.00 0.00 N ATOM 38569 C8 A B1794 1.145 -11.585 -15.293 1.00 0.00 C ATOM 38570 N7 A B1794 -0.125 -11.805 -15.158 1.00 0.00 N ATOM 38571 C5 A B1794 -0.231 -13.187 -15.157 1.00 0.00 C ATOM 38572 C6 A B1794 -1.328 -14.055 -15.047 1.00 0.00 C ATOM 38573 N6 A B1794 -2.594 -13.630 -14.908 1.00 0.00 N ATOM 38574 N1 A B1794 -1.083 -15.377 -15.086 1.00 0.00 N ATOM 38575 C2 A B1794 0.176 -15.791 -15.225 1.00 0.00 C ATOM 38576 N3 A B1794 1.276 -15.079 -15.339 1.00 0.00 N ATOM 38577 C4 A B1794 1.001 -13.759 -15.298 1.00 0.00 C ATOM 38578 P C B1795 4.335 -12.076 -20.200 1.00 0.00 P ATOM 38579 O1P C B1795 5.400 -11.818 -21.194 1.00 0.00 O ATOM 38580 O2P C B1795 3.163 -11.178 -20.266 1.00 0.00 O ATOM 38581 O5* C B1795 3.858 -13.600 -20.304 1.00 0.00 O ATOM 38582 C5* C B1795 4.836 -14.650 -20.172 1.00 0.00 C ATOM 38583 C4* C B1795 4.151 -16.001 -20.177 1.00 0.00 C ATOM 38584 O4* C B1795 3.364 -16.134 -18.960 1.00 0.00 O ATOM 38585 C3* C B1795 3.139 -16.232 -21.301 1.00 0.00 C ATOM 38586 O3* C B1795 3.763 -16.658 -22.472 1.00 0.00 O ATOM 38587 C2* C B1795 2.228 -17.296 -20.694 1.00 0.00 C ATOM 38588 O2* C B1795 2.852 -18.569 -20.724 1.00 0.00 O ATOM 38589 C1* C B1795 2.174 -16.862 -19.235 1.00 0.00 C ATOM 38590 N1 C B1795 1.015 -15.989 -18.911 1.00 0.00 N ATOM 38591 C2 C B1795 -0.242 -16.582 -18.828 1.00 0.00 C ATOM 38592 O2 C B1795 -0.340 -17.798 -19.024 1.00 0.00 O ATOM 38593 N3 C B1795 -1.315 -15.801 -18.536 1.00 0.00 N ATOM 38594 C4 C B1795 -1.166 -14.488 -18.327 1.00 0.00 C ATOM 38595 N4 C B1795 -2.243 -13.771 -18.043 1.00 0.00 N ATOM 38596 C5 C B1795 0.118 -13.855 -18.405 1.00 0.00 C ATOM 38597 C6 C B1795 1.177 -14.653 -18.701 1.00 0.00 C ATOM 38598 P U B1796 3.140 -16.194 -23.907 1.00 0.00 P ATOM 38599 O1P U B1796 4.075 -16.366 -25.038 1.00 0.00 O ATOM 38600 O2P U B1796 2.618 -14.824 -23.702 1.00 0.00 O ATOM 38601 O5* U B1796 1.920 -17.221 -24.051 1.00 0.00 O ATOM 38602 C5* U B1796 2.196 -18.634 -24.089 1.00 0.00 C ATOM 38603 C4* U B1796 0.898 -19.416 -24.100 1.00 0.00 C ATOM 38604 O4* U B1796 0.231 -19.243 -22.818 1.00 0.00 O ATOM 38605 C3* U B1796 -0.142 -18.960 -25.121 1.00 0.00 C ATOM 38606 O3* U B1796 0.088 -19.522 -26.375 1.00 0.00 O ATOM 38607 C2* U B1796 -1.446 -19.446 -24.488 1.00 0.00 C ATOM 38608 O2* U B1796 -1.597 -20.846 -24.659 1.00 0.00 O ATOM 38609 C1* U B1796 -1.173 -19.209 -23.006 1.00 0.00 C ATOM 38610 N1 U B1796 -1.672 -17.895 -22.509 1.00 0.00 N ATOM 38611 C2 U B1796 -3.016 -17.797 -22.241 1.00 0.00 C ATOM 38612 O2 U B1796 -3.792 -18.726 -22.390 1.00 0.00 O ATOM 38613 N3 U B1796 -3.442 -16.565 -21.781 1.00 0.00 N ATOM 38614 C4 U B1796 -2.652 -15.452 -21.574 1.00 0.00 C ATOM 38615 O4 U B1796 -3.146 -14.403 -21.161 1.00 0.00 O ATOM 38616 C5 U B1796 -1.257 -15.650 -21.885 1.00 0.00 C ATOM 38617 C6 U B1796 -0.815 -16.838 -22.333 1.00 0.00 C ATOM 38618 P G B1797 -0.276 -18.648 -27.706 1.00 0.00 P ATOM 38619 O1P G B1797 0.366 -19.244 -28.898 1.00 0.00 O ATOM 38620 O2P G B1797 0.027 -17.220 -27.456 1.00 0.00 O ATOM 38621 O5* G B1797 -1.859 -18.862 -27.781 1.00 0.00 O ATOM 38622 C5* G B1797 -2.379 -20.196 -27.931 1.00 0.00 C ATOM 38623 C4* G B1797 -3.893 -20.175 -27.855 1.00 0.00 C ATOM 38624 O4* G B1797 -4.291 -19.819 -26.499 1.00 0.00 O ATOM 38625 C3* G B1797 -4.589 -19.134 -28.728 1.00 0.00 C ATOM 38626 O3* G B1797 -4.768 -19.599 -30.029 1.00 0.00 O ATOM 38627 C2* G B1797 -5.913 -18.932 -27.992 1.00 0.00 C ATOM 38628 O2* G B1797 -6.794 -20.017 -28.231 1.00 0.00 O ATOM 38629 C1* G B1797 -5.469 -19.029 -26.534 1.00 0.00 C ATOM 38630 N9 G B1797 -5.162 -17.713 -25.911 1.00 0.00 N ATOM 38631 C8 G B1797 -3.942 -17.161 -25.597 1.00 0.00 C ATOM 38632 N7 G B1797 -4.017 -15.972 -25.051 1.00 0.00 N ATOM 38633 C5 G B1797 -5.388 -15.720 -24.996 1.00 0.00 C ATOM 38634 C6 G B1797 -6.089 -14.588 -24.507 1.00 0.00 C ATOM 38635 O6 G B1797 -5.641 -13.561 -24.010 1.00 0.00 O ATOM 38636 N1 G B1797 -7.476 -14.746 -24.644 1.00 0.00 N ATOM 38637 C2 G B1797 -8.101 -15.852 -25.186 1.00 0.00 C ATOM 38638 N2 G B1797 -9.434 -15.810 -25.229 1.00 0.00 N ATOM 38639 N3 G B1797 -7.442 -16.913 -25.647 1.00 0.00 N ATOM 38640 C4 G B1797 -6.094 -16.777 -25.521 1.00 0.00 C ATOM 38641 P U B1798 -4.688 -18.526 -31.261 1.00 0.00 P ATOM 38642 O1P U B1798 -4.529 -19.239 -32.551 1.00 0.00 O ATOM 38643 O2P U B1798 -3.660 -17.506 -30.960 1.00 0.00 O ATOM 38644 O5* U B1798 -6.145 -17.868 -31.181 1.00 0.00 O ATOM 38645 C5* U B1798 -7.301 -18.708 -31.355 1.00 0.00 C ATOM 38646 C4* U B1798 -8.565 -17.905 -31.119 1.00 0.00 C ATOM 38647 O4* U B1798 -8.632 -17.541 -29.708 1.00 0.00 O ATOM 38648 C3* U B1798 -8.652 -16.566 -31.850 1.00 0.00 C ATOM 38649 O3* U B1798 -9.122 -16.725 -33.152 1.00 0.00 O ATOM 38650 C2* U B1798 -9.615 -15.781 -30.967 1.00 0.00 C ATOM 38651 O2* U B1798 -10.951 -16.210 -31.174 1.00 0.00 O ATOM 38652 C1* U B1798 -9.212 -16.253 -29.574 1.00 0.00 C ATOM 38653 N1 U B1798 -8.217 -15.368 -28.906 1.00 0.00 N ATOM 38654 C2 U B1798 -8.674 -14.164 -28.428 1.00 0.00 C ATOM 38655 O2 U B1798 -9.836 -13.807 -28.526 1.00 0.00 O ATOM 38656 N3 U B1798 -7.723 -13.370 -27.816 1.00 0.00 N ATOM 38657 C4 U B1798 -6.387 -13.672 -27.650 1.00 0.00 C ATOM 38658 O4 U B1798 -5.631 -12.878 -27.084 1.00 0.00 O ATOM 38659 C5 U B1798 -6.004 -14.956 -28.186 1.00 0.00 C ATOM 38660 C6 U B1798 -6.906 -15.745 -28.786 1.00 0.00 C ATOM 38661 P G B1799 -8.556 -15.731 -34.318 1.00 0.00 P ATOM 38662 O1P G B1799 -8.876 -16.278 -35.655 1.00 0.00 O ATOM 38663 O2P G B1799 -7.125 -15.440 -34.065 1.00 0.00 O ATOM 38664 O5* G B1799 -9.432 -14.419 -34.045 1.00 0.00 O ATOM 38665 C5* G B1799 -10.863 -14.505 -34.144 1.00 0.00 C ATOM 38666 C4* G B1799 -11.495 -13.191 -33.728 1.00 0.00 C ATOM 38667 O4* G B1799 -11.276 -12.997 -32.300 1.00 0.00 O ATOM 38668 C3* G B1799 -10.899 -11.934 -34.363 1.00 0.00 C ATOM 38669 O3* G B1799 -11.455 -11.682 -35.617 1.00 0.00 O ATOM 38670 C2* G B1799 -11.245 -10.859 -33.339 1.00 0.00 C ATOM 38671 O2* G B1799 -12.613 -10.500 -33.431 1.00 0.00 O ATOM 38672 C1* G B1799 -11.073 -11.619 -32.026 1.00 0.00 C ATOM 38673 N9 G B1799 -9.723 -11.464 -31.418 1.00 0.00 N ATOM 38674 C8 G B1799 -8.684 -12.366 -31.360 1.00 0.00 C ATOM 38675 N7 G B1799 -7.616 -11.914 -30.746 1.00 0.00 N ATOM 38676 C5 G B1799 -7.976 -10.619 -30.370 1.00 0.00 C ATOM 38677 C6 G B1799 -7.232 -9.631 -29.673 1.00 0.00 C ATOM 38678 O6 G B1799 -6.084 -9.697 -29.235 1.00 0.00 O ATOM 38679 N1 G B1799 -7.976 -8.459 -29.502 1.00 0.00 N ATOM 38680 C2 G B1799 -9.269 -8.261 -29.948 1.00 0.00 C ATOM 38681 N2 G B1799 -9.804 -7.065 -29.686 1.00 0.00 N ATOM 38682 N3 G B1799 -9.964 -9.187 -30.602 1.00 0.00 N ATOM 38683 C4 G B1799 -9.258 -10.335 -30.775 1.00 0.00 C ATOM 38684 P C B1800 -10.415 -10.225 -36.207 1.00 0.00 P ATOM 38685 O1P C B1800 -11.210 -8.992 -36.050 1.00 0.00 O ATOM 38686 O2P C B1800 -9.880 -10.480 -37.566 1.00 0.00 O ATOM 38687 O5* C B1800 -9.028 -10.177 -34.954 1.00 0.00 O ATOM 38688 C5* C B1800 -8.027 -9.526 -34.044 1.00 0.00 C ATOM 38689 C4* C B1800 -6.444 -10.124 -34.048 1.00 0.00 C ATOM 38690 O4* C B1800 -6.577 -11.503 -34.500 1.00 0.00 O ATOM 38691 C3* C B1800 -5.455 -9.502 -35.040 1.00 0.00 C ATOM 38692 O3* C B1800 -4.627 -8.399 -34.242 1.00 0.00 O ATOM 38693 C2* C B1800 -4.505 -10.668 -35.310 1.00 0.00 C ATOM 38694 O2* C B1800 -3.611 -10.849 -34.224 1.00 0.00 O ATOM 38695 C1* C B1800 -5.464 -11.856 -35.301 1.00 0.00 C ATOM 38696 N1 C B1800 -6.034 -12.319 -36.834 1.00 0.00 N ATOM 38697 C2 C B1800 -5.218 -12.069 -37.936 1.00 0.00 C ATOM 38698 O2 C B1800 -4.129 -11.518 -37.754 1.00 0.00 O ATOM 38699 N3 C B1800 -5.657 -12.432 -39.170 1.00 0.00 N ATOM 38700 C4 C B1800 -6.850 -13.025 -39.321 1.00 0.00 C ATOM 38701 N4 C B1800 -7.224 -13.358 -40.548 1.00 0.00 N ATOM 38702 C5 C B1800 -7.699 -13.295 -38.204 1.00 0.00 C ATOM 38703 C6 C B1800 -7.244 -12.923 -36.982 1.00 0.00 C ATOM 38704 P A B1801 -3.972 -6.835 -34.940 1.00 0.00 P ATOM 38705 O1P A B1801 -4.897 -5.735 -34.596 1.00 0.00 O ATOM 38706 O2P A B1801 -3.594 -6.935 -36.368 1.00 0.00 O ATOM 38707 O5* A B1801 -2.430 -6.794 -33.926 1.00 0.00 O ATOM 38708 C5* A B1801 -1.012 -6.673 -34.285 1.00 0.00 C ATOM 38709 C4* A B1801 0.072 -6.191 -33.164 1.00 0.00 C ATOM 38710 O4* A B1801 0.976 -7.091 -32.455 1.00 0.00 O ATOM 38711 C3* A B1801 0.443 -4.805 -32.635 1.00 0.00 C ATOM 38712 O3* A B1801 1.038 -3.619 -33.387 1.00 0.00 O ATOM 38713 C2* A B1801 0.772 -5.103 -31.171 1.00 0.00 C ATOM 38714 O2* A B1801 -0.411 -5.299 -30.416 1.00 0.00 O ATOM 38715 C1* A B1801 1.456 -6.461 -31.282 1.00 0.00 C ATOM 38716 N9 A B1801 3.171 -6.395 -31.366 1.00 0.00 N ATOM 38717 C8 A B1801 3.968 -6.132 -32.457 1.00 0.00 C ATOM 38718 N7 A B1801 5.235 -6.103 -32.189 1.00 0.00 N ATOM 38719 C5 A B1801 5.297 -6.363 -30.827 1.00 0.00 C ATOM 38720 C6 A B1801 6.373 -6.465 -29.927 1.00 0.00 C ATOM 38721 N6 A B1801 7.651 -6.315 -30.289 1.00 0.00 N ATOM 38722 N1 A B1801 6.080 -6.733 -28.643 1.00 0.00 N ATOM 38723 C2 A B1801 4.805 -6.882 -28.289 1.00 0.00 C ATOM 38724 N3 A B1801 3.721 -6.808 -29.035 1.00 0.00 N ATOM 38725 C4 A B1801 4.041 -6.541 -30.318 1.00 0.00 C ATOM 38726 P A B1802 2.197 -4.037 -34.721 1.00 0.00 P ATOM 38727 O1P A B1802 1.401 -4.402 -35.918 1.00 0.00 O ATOM 38728 O2P A B1802 3.323 -4.940 -34.396 1.00 0.00 O ATOM 38729 O5* A B1802 2.675 -2.286 -34.720 1.00 0.00 O ATOM 38730 C5* A B1802 2.135 -1.500 -35.792 1.00 0.00 C ATOM 38731 C4* A B1802 2.672 -2.103 -37.183 1.00 0.00 C ATOM 38732 O4* A B1802 4.030 -2.624 -37.258 1.00 0.00 O ATOM 38733 C3* A B1802 1.942 -2.808 -38.327 1.00 0.00 C ATOM 38734 O3* A B1802 0.409 -3.212 -38.372 1.00 0.00 O ATOM 38735 C2* A B1802 3.028 -2.889 -39.394 1.00 0.00 C ATOM 38736 O2* A B1802 3.211 -1.630 -40.021 1.00 0.00 O ATOM 38737 C1* A B1802 4.273 -3.146 -38.552 1.00 0.00 C ATOM 38738 N9 A B1802 4.699 -4.784 -38.397 1.00 0.00 N ATOM 38739 C8 A B1802 4.483 -5.815 -39.292 1.00 0.00 C ATOM 38740 N7 A B1802 4.736 -6.991 -38.814 1.00 0.00 N ATOM 38741 C5 A B1802 5.151 -6.743 -37.512 1.00 0.00 C ATOM 38742 C6 A B1802 5.570 -7.589 -36.474 1.00 0.00 C ATOM 38743 N6 A B1802 5.633 -8.925 -36.588 1.00 0.00 N ATOM 38744 N1 A B1802 5.913 -7.015 -35.306 1.00 0.00 N ATOM 38745 C2 A B1802 5.839 -5.690 -35.196 1.00 0.00 C ATOM 38746 N3 A B1802 5.471 -4.803 -36.091 1.00 0.00 N ATOM 38747 C4 A B1802 5.131 -5.402 -37.253 1.00 0.00 C ATOM 38748 P A B1803 -0.028 -5.040 -38.520 1.00 0.00 P ATOM 38749 O1P A B1803 0.149 -5.793 -37.257 1.00 0.00 O ATOM 38750 O2P A B1803 0.838 -5.455 -39.646 1.00 0.00 O ATOM 38751 O5* A B1803 -1.861 -5.279 -38.918 1.00 0.00 O ATOM 38752 C5* A B1803 -2.766 -6.511 -39.076 1.00 0.00 C ATOM 38753 C4* A B1803 -4.466 -6.483 -39.311 1.00 0.00 C ATOM 38754 O4* A B1803 -4.655 -5.195 -38.649 1.00 0.00 O ATOM 38755 C3* A B1803 -5.287 -6.360 -40.595 1.00 0.00 C ATOM 38756 O3* A B1803 -5.900 -7.605 -41.459 1.00 0.00 O ATOM 38757 C2* A B1803 -6.481 -5.528 -40.129 1.00 0.00 C ATOM 38758 O2* A B1803 -7.393 -6.326 -39.386 1.00 0.00 O ATOM 38759 C1* A B1803 -5.827 -4.570 -39.142 1.00 0.00 C ATOM 38760 N9 A B1803 -5.399 -3.086 -39.789 1.00 0.00 N ATOM 38761 C8 A B1803 -5.186 -2.759 -41.111 1.00 0.00 C ATOM 38762 N7 A B1803 -4.678 -1.579 -41.289 1.00 0.00 N ATOM 38763 C5 A B1803 -4.536 -1.079 -40.001 1.00 0.00 C ATOM 38764 C6 A B1803 -4.050 0.143 -39.507 1.00 0.00 C ATOM 38765 N6 A B1803 -3.591 1.126 -40.291 1.00 0.00 N ATOM 38766 N1 A B1803 -4.052 0.315 -38.174 1.00 0.00 N ATOM 38767 C2 A B1803 -4.512 -0.665 -37.399 1.00 0.00 C ATOM 38768 N3 A B1803 -4.988 -1.840 -37.745 1.00 0.00 N ATOM 38769 C4 A B1803 -4.980 -1.993 -39.084 1.00 0.00 C ATOM 38770 P C B1804 -6.135 -7.509 -43.301 1.00 0.00 P ATOM 38771 O1P C B1804 -7.035 -6.417 -43.738 1.00 0.00 O ATOM 38772 O2P C B1804 -6.136 -8.721 -44.147 1.00 0.00 O ATOM 38773 O5* C B1804 -4.644 -6.951 -43.149 1.00 0.00 O ATOM 38774 C5* C B1804 -4.427 -5.530 -43.116 1.00 0.00 C ATOM 38775 C4* C B1804 -2.967 -5.232 -42.841 1.00 0.00 C ATOM 38776 O4* C B1804 -2.649 -5.645 -41.481 1.00 0.00 O ATOM 38777 C3* C B1804 -1.960 -5.994 -43.706 1.00 0.00 C ATOM 38778 O3* C B1804 -1.751 -5.362 -44.926 1.00 0.00 O ATOM 38779 C2* C B1804 -0.715 -5.992 -42.820 1.00 0.00 C ATOM 38780 O2* C B1804 -0.080 -4.722 -42.849 1.00 0.00 O ATOM 38781 C1* C B1804 -1.323 -6.151 -41.432 1.00 0.00 C ATOM 38782 N1 C B1804 -1.389 -7.565 -40.965 1.00 0.00 N ATOM 38783 C2 C B1804 -0.201 -8.173 -40.567 1.00 0.00 C ATOM 38784 O2 C B1804 0.849 -7.520 -40.615 1.00 0.00 O ATOM 38785 N3 C B1804 -0.238 -9.462 -40.142 1.00 0.00 N ATOM 38786 C4 C B1804 -1.396 -10.135 -40.102 1.00 0.00 C ATOM 38787 N4 C B1804 -1.382 -11.389 -39.678 1.00 0.00 N ATOM 38788 C5 C B1804 -2.631 -9.526 -40.509 1.00 0.00 C ATOM 38789 C6 C B1804 -2.568 -8.239 -40.932 1.00 0.00 C ATOM 38790 P A B1805 -1.452 -6.280 -46.245 1.00 0.00 P ATOM 38791 O1P A B1805 -1.625 -5.480 -47.478 1.00 0.00 O ATOM 38792 O2P A B1805 -2.250 -7.525 -46.168 1.00 0.00 O ATOM 38793 O5* A B1805 0.098 -6.617 -46.031 1.00 0.00 O ATOM 38794 C5* A B1805 1.046 -5.534 -45.978 1.00 0.00 C ATOM 38795 C4* A B1805 2.424 -6.066 -45.647 1.00 0.00 C ATOM 38796 O4* A B1805 2.420 -6.563 -44.277 1.00 0.00 O ATOM 38797 C3* A B1805 2.894 -7.266 -46.473 1.00 0.00 C ATOM 38798 O3* A B1805 3.451 -6.863 -47.685 1.00 0.00 O ATOM 38799 C2* A B1805 3.909 -7.918 -45.542 1.00 0.00 C ATOM 38800 O2* A B1805 5.128 -7.190 -45.535 1.00 0.00 O ATOM 38801 C1* A B1805 3.260 -7.704 -44.177 1.00 0.00 C ATOM 38802 N9 A B1805 2.422 -8.852 -43.725 1.00 0.00 N ATOM 38803 C8 A B1805 1.051 -8.959 -43.672 1.00 0.00 C ATOM 38804 N7 A B1805 0.631 -10.101 -43.226 1.00 0.00 N ATOM 38805 C5 A B1805 1.796 -10.809 -42.957 1.00 0.00 C ATOM 38806 C6 A B1805 2.026 -12.101 -42.459 1.00 0.00 C ATOM 38807 N6 A B1805 1.044 -12.947 -42.120 1.00 0.00 N ATOM 38808 N1 A B1805 3.306 -12.489 -42.314 1.00 0.00 N ATOM 38809 C2 A B1805 4.275 -11.641 -42.655 1.00 0.00 C ATOM 38810 N3 A B1805 4.183 -10.416 -43.130 1.00 0.00 N ATOM 38811 C4 A B1805 2.890 -10.053 -43.262 1.00 0.00 C ATOM 38812 P C B1806 3.259 -7.819 -48.993 1.00 0.00 P ATOM 38813 O1P C B1806 3.589 -7.071 -50.227 1.00 0.00 O ATOM 38814 O2P C B1806 1.913 -8.436 -48.957 1.00 0.00 O ATOM 38815 O5* C B1806 4.373 -8.935 -48.720 1.00 0.00 O ATOM 38816 C5* C B1806 5.753 -8.530 -48.623 1.00 0.00 C ATOM 38817 C4* C B1806 6.612 -9.719 -48.241 1.00 0.00 C ATOM 38818 O4* C B1806 6.290 -10.113 -46.876 1.00 0.00 O ATOM 38819 C3* C B1806 6.391 -10.993 -49.056 1.00 0.00 C ATOM 38820 O3* C B1806 7.124 -10.979 -50.240 1.00 0.00 O ATOM 38821 C2* C B1806 6.861 -12.076 -48.087 1.00 0.00 C ATOM 38822 O2* C B1806 8.277 -12.120 -48.030 1.00 0.00 O ATOM 38823 C1* C B1806 6.380 -11.523 -46.749 1.00 0.00 C ATOM 38824 N1 C B1806 5.040 -12.035 -46.339 1.00 0.00 N ATOM 38825 C2 C B1806 4.959 -13.345 -45.880 1.00 0.00 C ATOM 38826 O2 C B1806 5.990 -14.025 -45.835 1.00 0.00 O ATOM 38827 N3 C B1806 3.749 -13.827 -45.500 1.00 0.00 N ATOM 38828 C4 C B1806 2.655 -13.059 -45.566 1.00 0.00 C ATOM 38829 N4 C B1806 1.497 -13.579 -45.183 1.00 0.00 N ATOM 38830 C5 C B1806 2.718 -11.706 -46.034 1.00 0.00 C ATOM 38831 C6 C B1806 3.935 -11.244 -46.410 1.00 0.00 C ATOM 38832 P G B1807 6.156 -10.445 -51.723 1.00 0.00 P ATOM 38833 O1P G B1807 7.070 -10.228 -52.865 1.00 0.00 O ATOM 38834 O2P G B1807 5.240 -9.327 -51.407 1.00 0.00 O ATOM 38835 O5* G B1807 5.204 -12.000 -51.930 1.00 0.00 O ATOM 38836 C5* G B1807 4.067 -12.378 -52.762 1.00 0.00 C ATOM 38837 C4* G B1807 4.017 -13.948 -53.234 1.00 0.00 C ATOM 38838 O4* G B1807 5.204 -14.434 -53.925 1.00 0.00 O ATOM 38839 C3* G B1807 3.719 -15.040 -52.203 1.00 0.00 C ATOM 38840 O3* G B1807 2.555 -14.940 -51.242 1.00 0.00 O ATOM 38841 C2* G B1807 4.106 -16.309 -52.956 1.00 0.00 C ATOM 38842 O2* G B1807 3.115 -16.656 -53.907 1.00 0.00 O ATOM 38843 C1* G B1807 5.326 -15.834 -53.745 1.00 0.00 C ATOM 38844 N9 G B1807 6.842 -16.153 -52.986 1.00 0.00 N ATOM 38845 C8 G B1807 7.299 -17.321 -52.415 1.00 0.00 C ATOM 38846 N7 G B1807 8.499 -17.216 -51.894 1.00 0.00 N ATOM 38847 C5 G B1807 8.860 -15.897 -52.138 1.00 0.00 C ATOM 38848 C6 G B1807 10.047 -15.193 -51.810 1.00 0.00 C ATOM 38849 O6 G B1807 11.046 -15.604 -51.219 1.00 0.00 O ATOM 38850 N1 G B1807 9.995 -13.863 -52.243 1.00 0.00 N ATOM 38851 C2 G B1807 8.931 -13.284 -52.911 1.00 0.00 C ATOM 38852 N2 G B1807 9.078 -11.999 -53.241 1.00 0.00 N ATOM 38853 N3 G B1807 7.818 -13.943 -53.223 1.00 0.00 N ATOM 38854 C4 G B1807 7.852 -15.236 -52.806 1.00 0.00 C ATOM 38855 P A B1808 3.108 -14.275 -49.630 1.00 0.00 P ATOM 38856 O1P A B1808 3.521 -12.860 -49.719 1.00 0.00 O ATOM 38857 O2P A B1808 4.073 -15.186 -48.975 1.00 0.00 O ATOM 38858 O5* A B1808 1.436 -14.437 -48.945 1.00 0.00 O ATOM 38859 C5* A B1808 0.232 -13.697 -49.161 1.00 0.00 C ATOM 38860 C4* A B1808 -0.933 -14.541 -49.894 1.00 0.00 C ATOM 38861 O4* A B1808 -0.676 -15.231 -51.153 1.00 0.00 O ATOM 38862 C3* A B1808 -1.945 -15.440 -49.182 1.00 0.00 C ATOM 38863 O3* A B1808 -2.694 -14.827 -47.994 1.00 0.00 O ATOM 38864 C2* A B1808 -2.789 -15.955 -50.344 1.00 0.00 C ATOM 38865 O2* A B1808 -3.694 -14.960 -50.789 1.00 0.00 O ATOM 38866 C1* A B1808 -1.743 -16.123 -51.438 1.00 0.00 C ATOM 38867 N9 A B1808 -1.112 -17.676 -51.573 1.00 0.00 N ATOM 38868 C8 A B1808 0.212 -18.062 -51.633 1.00 0.00 C ATOM 38869 N7 A B1808 0.380 -19.315 -51.912 1.00 0.00 N ATOM 38870 C5 A B1808 -0.911 -19.808 -52.049 1.00 0.00 C ATOM 38871 C6 A B1808 -1.411 -21.085 -52.348 1.00 0.00 C ATOM 38872 N6 A B1808 -0.628 -22.154 -52.572 1.00 0.00 N ATOM 38873 N1 A B1808 -2.746 -21.227 -52.410 1.00 0.00 N ATOM 38874 C2 A B1808 -3.518 -20.163 -52.186 1.00 0.00 C ATOM 38875 N3 A B1808 -3.166 -18.927 -51.897 1.00 0.00 N ATOM 38876 C4 A B1808 -1.822 -18.814 -51.846 1.00 0.00 C ATOM 38877 P A B1809 -1.831 -14.900 -46.384 1.00 0.00 P ATOM 38878 O1P A B1809 -1.930 -13.616 -45.653 1.00 0.00 O ATOM 38879 O2P A B1809 -0.473 -15.470 -46.502 1.00 0.00 O ATOM 38880 O5* A B1809 -3.031 -16.107 -45.749 1.00 0.00 O ATOM 38881 C5* A B1809 -4.114 -16.737 -45.056 1.00 0.00 C ATOM 38882 C4* A B1809 -4.244 -18.327 -45.378 1.00 0.00 C ATOM 38883 O4* A B1809 -4.177 -18.728 -46.775 1.00 0.00 O ATOM 38884 C3* A B1809 -3.386 -19.364 -44.654 1.00 0.00 C ATOM 38885 O3* A B1809 -3.693 -19.400 -43.149 1.00 0.00 O ATOM 38886 C2* A B1809 -3.687 -20.636 -45.444 1.00 0.00 C ATOM 38887 O2* A B1809 -4.957 -21.151 -45.095 1.00 0.00 O ATOM 38888 C1* A B1809 -3.801 -20.094 -46.865 1.00 0.00 C ATOM 38889 N9 A B1809 -2.387 -20.195 -47.769 1.00 0.00 N ATOM 38890 C8 A B1809 -1.677 -19.177 -48.360 1.00 0.00 C ATOM 38891 N7 A B1809 -0.717 -19.580 -49.137 1.00 0.00 N ATOM 38892 C5 A B1809 -0.791 -20.966 -49.061 1.00 0.00 C ATOM 38893 C6 A B1809 -0.037 -21.989 -49.658 1.00 0.00 C ATOM 38894 N6 A B1809 0.981 -21.759 -50.498 1.00 0.00 N ATOM 38895 N1 A B1809 -0.371 -23.255 -49.369 1.00 0.00 N ATOM 38896 C2 A B1809 -1.389 -23.480 -48.537 1.00 0.00 C ATOM 38897 N3 A B1809 -2.160 -22.610 -47.920 1.00 0.00 N ATOM 38898 C4 A B1809 -1.802 -21.346 -48.227 1.00 0.00 C ATOM 38899 P A B1810 -2.309 -19.892 -42.075 1.00 0.00 P ATOM 38900 O1P A B1810 -2.627 -19.682 -40.644 1.00 0.00 O ATOM 38901 O2P A B1810 -1.023 -19.331 -42.538 1.00 0.00 O ATOM 38902 O5* A B1810 -2.553 -21.628 -42.566 1.00 0.00 O ATOM 38903 C5* A B1810 -2.697 -22.943 -43.157 1.00 0.00 C ATOM 38904 C4* A B1810 -1.329 -23.423 -43.934 1.00 0.00 C ATOM 38905 O4* A B1810 -1.161 -22.860 -45.266 1.00 0.00 O ATOM 38906 C3* A B1810 -0.011 -23.103 -43.229 1.00 0.00 C ATOM 38907 O3* A B1810 0.084 -24.084 -42.008 1.00 0.00 O ATOM 38908 C2* A B1810 1.002 -23.256 -44.361 1.00 0.00 C ATOM 38909 O2* A B1810 1.250 -24.621 -44.641 1.00 0.00 O ATOM 38910 C1* A B1810 0.221 -22.695 -45.547 1.00 0.00 C ATOM 38911 N9 A B1810 0.507 -21.052 -45.871 1.00 0.00 N ATOM 38912 C8 A B1810 -0.175 -19.956 -45.393 1.00 0.00 C ATOM 38913 N7 A B1810 0.154 -18.839 -45.960 1.00 0.00 N ATOM 38914 C5 A B1810 1.121 -19.206 -46.886 1.00 0.00 C ATOM 38915 C6 A B1810 1.876 -18.473 -47.813 1.00 0.00 C ATOM 38916 N6 A B1810 1.763 -17.146 -47.968 1.00 0.00 N ATOM 38917 N1 A B1810 2.747 -19.149 -48.580 1.00 0.00 N ATOM 38918 C2 A B1810 2.856 -20.468 -48.420 1.00 0.00 C ATOM 38919 N3 A B1810 2.209 -21.259 -47.589 1.00 0.00 N ATOM 38920 C4 A B1810 1.341 -20.555 -46.836 1.00 0.00 C ATOM 38921 P G B1811 -0.108 -23.292 -40.395 1.00 0.00 P ATOM 38922 O1P G B1811 -0.127 -24.110 -39.159 1.00 0.00 O ATOM 38923 O2P G B1811 -1.080 -22.178 -40.447 1.00 0.00 O ATOM 38924 O5* G B1811 1.370 -22.732 -40.650 1.00 0.00 O ATOM 38925 C5* G B1811 2.466 -23.664 -40.731 1.00 0.00 C ATOM 38926 C4* G B1811 3.740 -22.933 -41.101 1.00 0.00 C ATOM 38927 O4* G B1811 3.626 -22.443 -42.465 1.00 0.00 O ATOM 38928 C3* G B1811 4.049 -21.678 -40.283 1.00 0.00 C ATOM 38929 O3* G B1811 4.697 -21.989 -39.091 1.00 0.00 O ATOM 38930 C2* G B1811 4.933 -20.880 -41.242 1.00 0.00 C ATOM 38931 O2* G B1811 6.243 -21.418 -41.284 1.00 0.00 O ATOM 38932 C1* G B1811 4.285 -21.194 -42.588 1.00 0.00 C ATOM 38933 N9 G B1811 3.275 -20.181 -43.015 1.00 0.00 N ATOM 38934 C8 G B1811 1.903 -20.275 -43.028 1.00 0.00 C ATOM 38935 N7 G B1811 1.300 -19.195 -43.469 1.00 0.00 N ATOM 38936 C5 G B1811 2.350 -18.324 -43.764 1.00 0.00 C ATOM 38937 C6 G B1811 2.324 -17.002 -44.274 1.00 0.00 C ATOM 38938 O6 G B1811 1.353 -16.314 -44.577 1.00 0.00 O ATOM 38939 N1 G B1811 3.616 -16.488 -44.426 1.00 0.00 N ATOM 38940 C2 G B1811 4.785 -17.162 -44.122 1.00 0.00 C ATOM 38941 N2 G B1811 5.923 -16.497 -44.336 1.00 0.00 N ATOM 38942 N3 G B1811 4.808 -18.402 -43.643 1.00 0.00 N ATOM 38943 C4 G B1811 3.559 -18.920 -43.491 1.00 0.00 C ATOM 38944 P U B1812 4.399 -21.068 -37.774 1.00 0.00 P ATOM 38945 O1P U B1812 4.874 -21.756 -36.551 1.00 0.00 O ATOM 38946 O2P U B1812 2.977 -20.656 -37.771 1.00 0.00 O ATOM 38947 O5* U B1812 5.334 -19.802 -38.074 1.00 0.00 O ATOM 38948 C5* U B1812 6.751 -19.997 -38.209 1.00 0.00 C ATOM 38949 C4* U B1812 7.415 -18.696 -38.616 1.00 0.00 C ATOM 38950 O4* U B1812 7.001 -18.356 -39.970 1.00 0.00 O ATOM 38951 C3* U B1812 7.030 -17.467 -37.792 1.00 0.00 C ATOM 38952 O3* U B1812 7.790 -17.370 -36.628 1.00 0.00 O ATOM 38953 C2* U B1812 7.307 -16.326 -38.770 1.00 0.00 C ATOM 38954 O2* U B1812 8.698 -16.073 -38.869 1.00 0.00 O ATOM 38955 C1* U B1812 6.874 -16.946 -40.094 1.00 0.00 C ATOM 38956 N1 U B1812 5.465 -16.643 -40.466 1.00 0.00 N ATOM 38957 C2 U B1812 5.197 -15.371 -40.915 1.00 0.00 C ATOM 38958 O2 U B1812 6.054 -14.508 -41.011 1.00 0.00 O ATOM 38959 N3 U B1812 3.883 -15.125 -41.252 1.00 0.00 N ATOM 38960 C4 U B1812 2.835 -16.021 -41.182 1.00 0.00 C ATOM 38961 O4 U B1812 1.697 -15.685 -41.511 1.00 0.00 O ATOM 38962 C5 U B1812 3.214 -17.329 -40.701 1.00 0.00 C ATOM 38963 C6 U B1812 4.489 -17.599 -40.366 1.00 0.00 C ATOM 38964 P G B1813 7.098 -16.748 -35.286 1.00 0.00 P ATOM 38965 O1P G B1813 7.914 -17.066 -34.094 1.00 0.00 O ATOM 38966 O2P G B1813 5.679 -17.169 -35.226 1.00 0.00 O ATOM 38967 O5* G B1813 7.186 -15.181 -35.601 1.00 0.00 O ATOM 38968 C5* G B1813 8.478 -14.581 -35.793 1.00 0.00 C ATOM 38969 C4* G B1813 8.321 -13.129 -36.201 1.00 0.00 C ATOM 38970 O4* G B1813 7.732 -13.076 -37.534 1.00 0.00 O ATOM 38971 C3* G B1813 7.367 -12.296 -35.344 1.00 0.00 C ATOM 38972 O3* G B1813 8.000 -11.800 -34.207 1.00 0.00 O ATOM 38973 C2* G B1813 6.945 -11.194 -36.315 1.00 0.00 C ATOM 38974 O2* G B1813 7.976 -10.230 -36.459 1.00 0.00 O ATOM 38975 C1* G B1813 6.864 -11.959 -37.633 1.00 0.00 C ATOM 38976 N9 G B1813 5.498 -12.465 -37.948 1.00 0.00 N ATOM 38977 C8 G B1813 5.012 -13.752 -37.886 1.00 0.00 C ATOM 38978 N7 G B1813 3.751 -13.861 -38.233 1.00 0.00 N ATOM 38979 C5 G B1813 3.377 -12.556 -38.550 1.00 0.00 C ATOM 38980 C6 G B1813 2.132 -12.044 -38.991 1.00 0.00 C ATOM 38981 O6 G B1813 1.083 -12.646 -39.203 1.00 0.00 O ATOM 38982 N1 G B1813 2.193 -10.657 -39.193 1.00 0.00 N ATOM 38983 C2 G B1813 3.312 -9.870 -38.993 1.00 0.00 C ATOM 38984 N2 G B1813 3.163 -8.566 -39.244 1.00 0.00 N ATOM 38985 N3 G B1813 4.479 -10.351 -38.578 1.00 0.00 N ATOM 38986 C4 G B1813 4.439 -11.695 -38.377 1.00 0.00 C ATOM 38987 P G B1814 6.444 -11.569 -33.165 1.00 0.00 P ATOM 38988 O1P G B1814 6.181 -10.126 -32.971 1.00 0.00 O ATOM 38989 O2P G B1814 6.603 -12.370 -31.928 1.00 0.00 O ATOM 38990 O5* G B1814 5.041 -12.325 -34.157 1.00 0.00 O ATOM 38991 C5* G B1814 4.063 -12.974 -35.076 1.00 0.00 C ATOM 38992 C4* G B1814 2.451 -13.265 -34.829 1.00 0.00 C ATOM 38993 O4* G B1814 1.354 -12.623 -35.543 1.00 0.00 O ATOM 38994 C3* G B1814 1.858 -14.599 -34.372 1.00 0.00 C ATOM 38995 O3* G B1814 2.343 -15.977 -34.897 1.00 0.00 O ATOM 38996 C2* G B1814 0.418 -14.217 -34.048 1.00 0.00 C ATOM 38997 O2* G B1814 0.342 -13.529 -32.813 1.00 0.00 O ATOM 38998 C1* G B1814 0.119 -13.196 -35.141 1.00 0.00 C ATOM 38999 N9 G B1814 -0.664 -13.849 -36.546 1.00 0.00 N ATOM 39000 C8 G B1814 -0.420 -13.588 -37.879 1.00 0.00 C ATOM 39001 N7 G B1814 -1.274 -14.158 -38.692 1.00 0.00 N ATOM 39002 C5 G B1814 -2.140 -14.848 -37.845 1.00 0.00 C ATOM 39003 C6 G B1814 -3.266 -15.654 -38.151 1.00 0.00 C ATOM 39004 O6 G B1814 -3.742 -15.928 -39.246 1.00 0.00 O ATOM 39005 N1 G B1814 -3.860 -16.159 -36.985 1.00 0.00 N ATOM 39006 C2 G B1814 -3.421 -15.921 -35.697 1.00 0.00 C ATOM 39007 N2 G B1814 -4.121 -16.497 -34.719 1.00 0.00 N ATOM 39008 N3 G B1814 -2.362 -15.169 -35.414 1.00 0.00 N ATOM 39009 C4 G B1814 -1.776 -14.664 -36.536 1.00 0.00 C ATOM 39010 P A B1815 1.833 -17.454 -33.947 1.00 0.00 P ATOM 39011 O1P A B1815 2.554 -17.525 -32.657 1.00 0.00 O ATOM 39012 O2P A B1815 1.865 -18.682 -34.769 1.00 0.00 O ATOM 39013 O5* A B1815 0.122 -16.862 -33.801 1.00 0.00 O ATOM 39014 C5* A B1815 -1.193 -16.697 -33.267 1.00 0.00 C ATOM 39015 C4* A B1815 -1.144 -16.240 -31.714 1.00 0.00 C ATOM 39016 O4* A B1815 -0.284 -17.024 -30.839 1.00 0.00 O ATOM 39017 C3* A B1815 -0.867 -14.791 -31.303 1.00 0.00 C ATOM 39018 O3* A B1815 -2.099 -14.004 -31.743 1.00 0.00 O ATOM 39019 C2* A B1815 -0.662 -14.922 -29.793 1.00 0.00 C ATOM 39020 O2* A B1815 -1.904 -15.085 -29.132 1.00 0.00 O ATOM 39021 C1* A B1815 0.069 -16.256 -29.696 1.00 0.00 C ATOM 39022 N9 A B1815 1.789 -16.133 -29.633 1.00 0.00 N ATOM 39023 C8 A B1815 2.641 -16.569 -28.648 1.00 0.00 C ATOM 39024 N7 A B1815 3.870 -16.178 -28.799 1.00 0.00 N ATOM 39025 C5 A B1815 3.840 -15.431 -29.964 1.00 0.00 C ATOM 39026 C6 A B1815 4.843 -14.744 -30.676 1.00 0.00 C ATOM 39027 N6 A B1815 6.124 -14.695 -30.286 1.00 0.00 N ATOM 39028 N1 A B1815 4.473 -14.102 -31.801 1.00 0.00 N ATOM 39029 C2 A B1815 3.198 -14.157 -32.181 1.00 0.00 C ATOM 39030 N3 A B1815 2.184 -14.764 -31.607 1.00 0.00 N ATOM 39031 C4 A B1815 2.580 -15.399 -30.482 1.00 0.00 C ATOM 39032 P C B1816 -2.217 -12.268 -31.209 1.00 0.00 P ATOM 39033 O1P C B1816 -3.424 -12.009 -30.392 1.00 0.00 O ATOM 39034 O2P C B1816 -2.067 -11.433 -32.424 1.00 0.00 O ATOM 39035 O5* C B1816 -0.689 -12.229 -30.185 1.00 0.00 O ATOM 39036 C5* C B1816 0.185 -11.917 -29.052 1.00 0.00 C ATOM 39037 C4* C B1816 1.368 -10.804 -29.269 1.00 0.00 C ATOM 39038 O4* C B1816 2.498 -10.608 -28.373 1.00 0.00 O ATOM 39039 C3* C B1816 1.967 -10.615 -30.666 1.00 0.00 C ATOM 39040 O3* C B1816 0.726 -10.013 -31.485 1.00 0.00 O ATOM 39041 C2* C B1816 2.997 -9.515 -30.421 1.00 0.00 C ATOM 39042 O2* C B1816 2.366 -8.252 -30.303 1.00 0.00 O ATOM 39043 C1* C B1816 3.521 -9.883 -29.034 1.00 0.00 C ATOM 39044 N1 C B1816 4.942 -10.836 -29.037 1.00 0.00 N ATOM 39045 C2 C B1816 6.067 -10.323 -29.676 1.00 0.00 C ATOM 39046 O2 C B1816 5.974 -9.242 -30.264 1.00 0.00 O ATOM 39047 N3 C B1816 7.227 -11.028 -29.630 1.00 0.00 N ATOM 39048 C4 C B1816 7.286 -12.196 -28.982 1.00 0.00 C ATOM 39049 N4 C B1816 8.439 -12.850 -28.963 1.00 0.00 N ATOM 39050 C5 C B1816 6.141 -12.745 -28.316 1.00 0.00 C ATOM 39051 C6 C B1816 4.993 -12.026 -28.376 1.00 0.00 C ATOM 39052 P G B1817 -0.620 -9.029 -30.624 1.00 0.00 P ATOM 39053 O1P G B1817 -1.455 -9.849 -29.721 1.00 0.00 O ATOM 39054 O2P G B1817 -1.355 -8.253 -31.651 1.00 0.00 O ATOM 39055 O5* G B1817 0.356 -7.987 -29.472 1.00 0.00 O ATOM 39056 C5* G B1817 -0.050 -7.414 -28.236 1.00 0.00 C ATOM 39057 C4* G B1817 -0.786 -8.369 -27.111 1.00 0.00 C ATOM 39058 O4* G B1817 -0.527 -9.792 -26.958 1.00 0.00 O ATOM 39059 C3* G B1817 -0.523 -7.797 -25.713 1.00 0.00 C ATOM 39060 O3* G B1817 -0.863 -6.331 -25.554 1.00 0.00 O ATOM 39061 C2* G B1817 -1.037 -8.913 -24.810 1.00 0.00 C ATOM 39062 O2* G B1817 -2.456 -8.911 -24.763 1.00 0.00 O ATOM 39063 C1* G B1817 -0.621 -10.154 -25.591 1.00 0.00 C ATOM 39064 N9 G B1817 0.854 -10.823 -25.116 1.00 0.00 N ATOM 39065 C8 G B1817 1.761 -10.360 -24.181 1.00 0.00 C ATOM 39066 N7 G B1817 2.886 -11.034 -24.148 1.00 0.00 N ATOM 39067 C5 G B1817 2.715 -12.012 -25.129 1.00 0.00 C ATOM 39068 C6 G B1817 3.595 -13.036 -25.557 1.00 0.00 C ATOM 39069 O6 G B1817 4.722 -13.304 -25.156 1.00 0.00 O ATOM 39070 N1 G B1817 3.024 -13.809 -26.579 1.00 0.00 N ATOM 39071 C2 G B1817 1.765 -13.614 -27.117 1.00 0.00 C ATOM 39072 N2 G B1817 1.405 -14.459 -28.084 1.00 0.00 N ATOM 39073 N3 G B1817 0.941 -12.648 -26.713 1.00 0.00 N ATOM 39074 C4 G B1817 1.478 -11.891 -25.723 1.00 0.00 C ATOM 39075 P U B1818 -2.469 -5.929 -24.811 1.00 0.00 P ATOM 39076 O1P U B1818 -2.350 -6.102 -23.344 1.00 0.00 O ATOM 39077 O2P U B1818 -3.673 -6.520 -25.434 1.00 0.00 O ATOM 39078 O5* U B1818 -2.159 -4.248 -25.428 1.00 0.00 O ATOM 39079 C5* U B1818 -1.745 -3.065 -26.157 1.00 0.00 C ATOM 39080 C4* U B1818 -0.297 -2.353 -25.763 1.00 0.00 C ATOM 39081 O4* U B1818 0.547 -2.473 -26.945 1.00 0.00 O ATOM 39082 C3* U B1818 0.035 -0.963 -25.213 1.00 0.00 C ATOM 39083 O3* U B1818 -0.500 -0.347 -23.908 1.00 0.00 O ATOM 39084 C2* U B1818 1.530 -0.853 -25.511 1.00 0.00 C ATOM 39085 O2* U B1818 2.283 -1.620 -24.583 1.00 0.00 O ATOM 39086 C1* U B1818 1.632 -1.558 -26.857 1.00 0.00 C ATOM 39087 N1 U B1818 1.572 -0.531 -28.197 1.00 0.00 N ATOM 39088 C2 U B1818 2.620 0.344 -28.360 1.00 0.00 C ATOM 39089 O2 U B1818 3.504 0.481 -27.532 1.00 0.00 O ATOM 39090 N3 U B1818 2.619 1.064 -29.538 1.00 0.00 N ATOM 39091 C4 U B1818 1.672 0.988 -30.540 1.00 0.00 C ATOM 39092 O4 U B1818 1.776 1.682 -31.554 1.00 0.00 O ATOM 39093 C5 U B1818 0.609 0.045 -30.280 1.00 0.00 C ATOM 39094 C6 U B1818 0.589 -0.668 -29.143 1.00 0.00 C ATOM 39095 P A B1819 0.269 -0.469 -22.237 1.00 0.00 P ATOM 39096 O1P A B1819 -0.395 0.497 -21.336 1.00 0.00 O ATOM 39097 O2P A B1819 1.748 -0.389 -22.290 1.00 0.00 O ATOM 39098 O5* A B1819 -0.311 -2.169 -21.841 1.00 0.00 O ATOM 39099 C5* A B1819 -0.404 -3.112 -20.733 1.00 0.00 C ATOM 39100 C4* A B1819 -1.751 -4.035 -20.597 1.00 0.00 C ATOM 39101 O4* A B1819 -2.422 -4.093 -19.304 1.00 0.00 O ATOM 39102 C3* A B1819 -2.898 -3.989 -21.607 1.00 0.00 C ATOM 39103 O3* A B1819 -2.682 -3.903 -23.122 1.00 0.00 O ATOM 39104 C2* A B1819 -3.938 -4.898 -20.948 1.00 0.00 C ATOM 39105 O2* A B1819 -3.586 -6.263 -21.107 1.00 0.00 O ATOM 39106 C1* A B1819 -3.750 -4.561 -19.472 1.00 0.00 C ATOM 39107 N9 A B1819 -4.806 -3.388 -18.880 1.00 0.00 N ATOM 39108 C8 A B1819 -5.355 -2.316 -19.547 1.00 0.00 C ATOM 39109 N7 A B1819 -6.022 -1.506 -18.781 1.00 0.00 N ATOM 39110 C5 A B1819 -5.912 -2.070 -17.518 1.00 0.00 C ATOM 39111 C6 A B1819 -6.405 -1.685 -16.263 1.00 0.00 C ATOM 39112 N6 A B1819 -7.143 -0.584 -16.066 1.00 0.00 N ATOM 39113 N1 A B1819 -6.112 -2.476 -15.211 1.00 0.00 N ATOM 39114 C2 A B1819 -5.376 -3.567 -15.415 1.00 0.00 C ATOM 39115 N3 A B1819 -4.866 -4.027 -16.539 1.00 0.00 N ATOM 39116 C4 A B1819 -5.173 -3.219 -17.569 1.00 0.00 C ATOM 39117 P U B1820 -3.100 -2.214 -23.722 1.00 0.00 P ATOM 39118 O1P U B1820 -2.351 -1.432 -24.731 1.00 0.00 O ATOM 39119 O2P U B1820 -3.070 -1.684 -22.340 1.00 0.00 O ATOM 39120 O5* U B1820 -4.617 -2.401 -24.197 1.00 0.00 O ATOM 39121 C5* U B1820 -5.468 -1.243 -24.293 1.00 0.00 C ATOM 39122 C4* U B1820 -6.810 -1.630 -24.878 1.00 0.00 C ATOM 39123 O4* U B1820 -6.622 -2.014 -26.270 1.00 0.00 O ATOM 39124 C3* U B1820 -7.485 -2.848 -24.248 1.00 0.00 C ATOM 39125 O3* U B1820 -8.201 -2.500 -23.106 1.00 0.00 O ATOM 39126 C2* U B1820 -8.385 -3.337 -25.380 1.00 0.00 C ATOM 39127 O2* U B1820 -9.531 -2.513 -25.502 1.00 0.00 O ATOM 39128 C1* U B1820 -7.513 -3.066 -26.603 1.00 0.00 C ATOM 39129 N1 U B1820 -6.699 -4.241 -27.030 1.00 0.00 N ATOM 39130 C2 U B1820 -7.363 -5.267 -27.659 1.00 0.00 C ATOM 39131 O2 U B1820 -8.563 -5.247 -27.873 1.00 0.00 O ATOM 39132 N3 U B1820 -6.577 -6.337 -28.038 1.00 0.00 N ATOM 39133 C4 U B1820 -5.216 -6.462 -27.844 1.00 0.00 C ATOM 39134 O4 U B1820 -4.619 -7.471 -28.229 1.00 0.00 O ATOM 39135 C5 U B1820 -4.609 -5.337 -27.175 1.00 0.00 C ATOM 39136 C6 U B1820 -5.352 -4.283 -26.796 1.00 0.00 C ATOM 39137 P A B1821 -8.284 -3.570 -21.874 1.00 0.00 P ATOM 39138 O1P A B1821 -8.754 -2.901 -20.643 1.00 0.00 O ATOM 39139 O2P A B1821 -6.997 -4.293 -21.763 1.00 0.00 O ATOM 39140 O5* A B1821 -9.418 -4.564 -22.416 1.00 0.00 O ATOM 39141 C5* A B1821 -10.733 -4.042 -22.681 1.00 0.00 C ATOM 39142 C4* A B1821 -11.602 -5.118 -23.300 1.00 0.00 C ATOM 39143 O4* A B1821 -11.093 -5.427 -24.629 1.00 0.00 O ATOM 39144 C3* A B1821 -11.601 -6.469 -22.581 1.00 0.00 C ATOM 39145 O3* A B1821 -12.508 -6.488 -21.527 1.00 0.00 O ATOM 39146 C2* A B1821 -11.983 -7.429 -23.704 1.00 0.00 C ATOM 39147 O2* A B1821 -13.373 -7.349 -23.980 1.00 0.00 O ATOM 39148 C1* A B1821 -11.260 -6.810 -24.897 1.00 0.00 C ATOM 39149 N9 A B1821 -9.911 -7.395 -25.146 1.00 0.00 N ATOM 39150 C8 A B1821 -8.671 -6.850 -24.900 1.00 0.00 C ATOM 39151 N7 A B1821 -7.682 -7.622 -25.233 1.00 0.00 N ATOM 39152 C5 A B1821 -8.298 -8.756 -25.740 1.00 0.00 C ATOM 39153 C6 A B1821 -7.791 -9.957 -26.265 1.00 0.00 C ATOM 39154 N6 A B1821 -6.479 -10.222 -26.373 1.00 0.00 N ATOM 39155 N1 A B1821 -8.678 -10.879 -26.678 1.00 0.00 N ATOM 39156 C2 A B1821 -9.979 -10.610 -26.567 1.00 0.00 C ATOM 39157 N3 A B1821 -10.569 -9.532 -26.096 1.00 0.00 N ATOM 39158 C4 A B1821 -9.656 -8.626 -25.690 1.00 0.00 C ATOM 39159 P C B1822 -12.146 -7.362 -20.193 1.00 0.00 P ATOM 39160 O1P C B1822 -13.027 -6.971 -19.070 1.00 0.00 O ATOM 39161 O2P C B1822 -10.693 -7.283 -19.933 1.00 0.00 O ATOM 39162 O5* C B1822 -12.528 -8.835 -20.693 1.00 0.00 O ATOM 39163 C5* C B1822 -13.885 -9.109 -21.088 1.00 0.00 C ATOM 39164 C4* C B1822 -13.989 -10.520 -21.640 1.00 0.00 C ATOM 39165 O4* C B1822 -13.259 -10.588 -22.896 1.00 0.00 O ATOM 39166 C3* C B1822 -13.357 -11.617 -20.781 1.00 0.00 C ATOM 39167 O3* C B1822 -14.226 -12.051 -19.785 1.00 0.00 O ATOM 39168 C2* C B1822 -13.058 -12.696 -21.818 1.00 0.00 C ATOM 39169 O2* C B1822 -14.244 -13.388 -22.180 1.00 0.00 O ATOM 39170 C1* C B1822 -12.644 -11.860 -23.024 1.00 0.00 C ATOM 39171 N1 C B1822 -11.174 -11.655 -23.132 1.00 0.00 N ATOM 39172 C2 C B1822 -10.395 -12.731 -23.548 1.00 0.00 C ATOM 39173 O2 C B1822 -10.952 -13.803 -23.810 1.00 0.00 O ATOM 39174 N3 C B1822 -9.052 -12.563 -23.652 1.00 0.00 N ATOM 39175 C4 C B1822 -8.486 -11.384 -23.359 1.00 0.00 C ATOM 39176 N4 C B1822 -7.173 -11.270 -23.476 1.00 0.00 N ATOM 39177 C5 C B1822 -9.271 -10.266 -22.930 1.00 0.00 C ATOM 39178 C6 C B1822 -10.610 -10.455 -22.829 1.00 0.00 C ATOM 39179 P G B1823 -13.604 -12.518 -18.348 1.00 0.00 P ATOM 39180 O1P G B1823 -14.671 -12.588 -17.323 1.00 0.00 O ATOM 39181 O2P G B1823 -12.444 -11.664 -18.012 1.00 0.00 O ATOM 39182 O5* G B1823 -13.100 -13.994 -18.708 1.00 0.00 O ATOM 39183 C5* G B1823 -14.060 -14.971 -19.147 1.00 0.00 C ATOM 39184 C4* G B1823 -13.355 -16.250 -19.552 1.00 0.00 C ATOM 39185 O4* G B1823 -12.565 -15.997 -20.747 1.00 0.00 O ATOM 39186 C3* G B1823 -12.336 -16.789 -18.546 1.00 0.00 C ATOM 39187 O3* G B1823 -12.947 -17.563 -17.559 1.00 0.00 O ATOM 39188 C2* G B1823 -11.408 -17.608 -19.438 1.00 0.00 C ATOM 39189 O2* G B1823 -12.008 -18.840 -19.795 1.00 0.00 O ATOM 39190 C1* G B1823 -11.366 -16.754 -20.704 1.00 0.00 C ATOM 39191 N9 G B1823 -10.219 -15.802 -20.747 1.00 0.00 N ATOM 39192 C8 G B1823 -10.194 -14.456 -20.454 1.00 0.00 C ATOM 39193 N7 G B1823 -9.013 -13.903 -20.593 1.00 0.00 N ATOM 39194 C5 G B1823 -8.200 -14.957 -21.007 1.00 0.00 C ATOM 39195 C6 G B1823 -6.816 -14.976 -21.317 1.00 0.00 C ATOM 39196 O6 G B1823 -6.008 -14.050 -21.290 1.00 0.00 O ATOM 39197 N1 G B1823 -6.393 -16.257 -21.694 1.00 0.00 N ATOM 39198 C2 G B1823 -7.197 -17.379 -21.748 1.00 0.00 C ATOM 39199 N2 G B1823 -6.602 -18.509 -22.131 1.00 0.00 N ATOM 39200 N3 G B1823 -8.500 -17.357 -21.468 1.00 0.00 N ATOM 39201 C4 G B1823 -8.928 -16.121 -21.102 1.00 0.00 C ATOM 39202 P G B1824 -12.327 -17.539 -16.049 1.00 0.00 P ATOM 39203 O1P G B1824 -13.301 -18.102 -15.086 1.00 0.00 O ATOM 39204 O2P G B1824 -11.833 -16.179 -15.740 1.00 0.00 O ATOM 39205 O5* G B1824 -11.091 -18.540 -16.215 1.00 0.00 O ATOM 39206 C5* G B1824 -11.342 -19.904 -16.607 1.00 0.00 C ATOM 39207 C4* G B1824 -10.032 -20.629 -16.827 1.00 0.00 C ATOM 39208 O4* G B1824 -9.372 -20.068 -17.997 1.00 0.00 O ATOM 39209 C3* G B1824 -8.994 -20.482 -15.712 1.00 0.00 C ATOM 39210 O3* G B1824 -9.214 -21.401 -14.688 1.00 0.00 O ATOM 39211 C2* G B1824 -7.687 -20.736 -16.460 1.00 0.00 C ATOM 39212 O2* G B1824 -7.512 -22.119 -16.718 1.00 0.00 O ATOM 39213 C1* G B1824 -7.967 -20.068 -17.802 1.00 0.00 C ATOM 39214 N9 G B1824 -7.492 -18.659 -17.881 1.00 0.00 N ATOM 39215 C8 G B1824 -8.222 -17.492 -17.850 1.00 0.00 C ATOM 39216 N7 G B1824 -7.496 -16.404 -17.941 1.00 0.00 N ATOM 39217 C5 G B1824 -6.191 -16.885 -18.038 1.00 0.00 C ATOM 39218 C6 G B1824 -4.965 -16.182 -18.161 1.00 0.00 C ATOM 39219 O6 G B1824 -4.773 -14.971 -18.212 1.00 0.00 O ATOM 39220 N1 G B1824 -3.875 -17.062 -18.234 1.00 0.00 N ATOM 39221 C2 G B1824 -3.960 -18.440 -18.187 1.00 0.00 C ATOM 39222 N2 G B1824 -2.804 -19.101 -18.268 1.00 0.00 N ATOM 39223 N3 G B1824 -5.111 -19.099 -18.073 1.00 0.00 N ATOM 39224 C4 G B1824 -6.178 -18.260 -18.003 1.00 0.00 C ATOM 39225 P U B1825 -8.861 -20.963 -13.156 1.00 0.00 P ATOM 39226 O1P U B1825 -9.490 -21.904 -12.197 1.00 0.00 O ATOM 39227 O2P U B1825 -9.190 -19.535 -12.965 1.00 0.00 O ATOM 39228 O5* U B1825 -7.272 -21.160 -13.143 1.00 0.00 O ATOM 39229 C5* U B1825 -6.731 -22.471 -13.399 1.00 0.00 C ATOM 39230 C4* U B1825 -5.219 -22.403 -13.462 1.00 0.00 C ATOM 39231 O4* U B1825 -4.829 -21.647 -14.646 1.00 0.00 O ATOM 39232 C3* U B1825 -4.535 -21.661 -12.312 1.00 0.00 C ATOM 39233 O3* U B1825 -4.350 -22.489 -11.209 1.00 0.00 O ATOM 39234 C2* U B1825 -3.220 -21.223 -12.951 1.00 0.00 C ATOM 39235 O2* U B1825 -2.321 -22.313 -13.048 1.00 0.00 O ATOM 39236 C1* U B1825 -3.665 -20.887 -14.373 1.00 0.00 C ATOM 39237 N1 U B1825 -3.993 -19.449 -14.572 1.00 0.00 N ATOM 39238 C2 U B1825 -2.943 -18.568 -14.636 1.00 0.00 C ATOM 39239 O2 U B1825 -1.777 -18.919 -14.535 1.00 0.00 O ATOM 39240 N3 U B1825 -3.286 -17.243 -14.821 1.00 0.00 N ATOM 39241 C4 U B1825 -4.564 -16.740 -14.947 1.00 0.00 C ATOM 39242 O4 U B1825 -4.748 -15.533 -15.113 1.00 0.00 O ATOM 39243 C5 U B1825 -5.603 -17.740 -14.869 1.00 0.00 C ATOM 39244 C6 U B1825 -5.297 -19.036 -14.688 1.00 0.00 C ATOM 39245 P G B1826 -4.444 -21.842 -9.715 1.00 0.00 P ATOM 39246 O1P G B1826 -4.585 -22.911 -8.699 1.00 0.00 O ATOM 39247 O2P G B1826 -5.490 -20.795 -9.699 1.00 0.00 O ATOM 39248 O5* G B1826 -2.997 -21.164 -9.589 1.00 0.00 O ATOM 39249 C5* G B1826 -1.829 -21.998 -9.673 1.00 0.00 C ATOM 39250 C4* G B1826 -0.578 -21.140 -9.655 1.00 0.00 C ATOM 39251 O4* G B1826 -0.522 -20.365 -10.889 1.00 0.00 O ATOM 39252 C3* G B1826 -0.511 -20.081 -8.555 1.00 0.00 C ATOM 39253 O3* G B1826 -0.034 -20.617 -7.360 1.00 0.00 O ATOM 39254 C2* G B1826 0.437 -19.049 -9.158 1.00 0.00 C ATOM 39255 O2* G B1826 1.781 -19.500 -9.083 1.00 0.00 O ATOM 39256 C1* G B1826 0.036 -19.087 -10.629 1.00 0.00 C ATOM 39257 N9 G B1826 -0.976 -18.061 -11.002 1.00 0.00 N ATOM 39258 C8 G B1826 -2.317 -18.216 -11.271 1.00 0.00 C ATOM 39259 N7 G B1826 -2.933 -17.099 -11.569 1.00 0.00 N ATOM 39260 C5 G B1826 -1.930 -16.134 -11.492 1.00 0.00 C ATOM 39261 C6 G B1826 -1.990 -14.734 -11.711 1.00 0.00 C ATOM 39262 O6 G B1826 -2.956 -14.045 -12.023 1.00 0.00 O ATOM 39263 N1 G B1826 -0.737 -14.133 -11.523 1.00 0.00 N ATOM 39264 C2 G B1826 0.422 -14.798 -11.173 1.00 0.00 C ATOM 39265 N2 G B1826 1.515 -14.044 -11.044 1.00 0.00 N ATOM 39266 N3 G B1826 0.475 -16.111 -10.970 1.00 0.00 N ATOM 39267 C4 G B1826 -0.731 -16.710 -11.146 1.00 0.00 C ATOM 39268 P U B1827 -0.616 -20.031 -5.950 1.00 0.00 P ATOM 39269 O1P U B1827 -0.282 -20.946 -4.838 1.00 0.00 O ATOM 39270 O2P U B1827 -2.049 -19.701 -6.105 1.00 0.00 O ATOM 39271 O5* U B1827 0.237 -18.683 -5.815 1.00 0.00 O ATOM 39272 C5* U B1827 1.673 -18.768 -5.740 1.00 0.00 C ATOM 39273 C4* U B1827 2.276 -17.380 -5.742 1.00 0.00 C ATOM 39274 O4* U B1827 2.051 -16.766 -7.046 1.00 0.00 O ATOM 39275 C3* U B1827 1.663 -16.383 -4.757 1.00 0.00 C ATOM 39276 O3* U B1827 2.220 -16.512 -3.490 1.00 0.00 O ATOM 39277 C2* U B1827 1.990 -15.042 -5.412 1.00 0.00 C ATOM 39278 O2* U B1827 3.349 -14.706 -5.214 1.00 0.00 O ATOM 39279 C1* U B1827 1.826 -15.377 -6.892 1.00 0.00 C ATOM 39280 N1 U B1827 0.472 -15.067 -7.433 1.00 0.00 N ATOM 39281 C2 U B1827 0.166 -13.744 -7.638 1.00 0.00 C ATOM 39282 O2 U B1827 0.951 -12.839 -7.402 1.00 0.00 O ATOM 39283 N3 U B1827 -1.095 -13.497 -8.138 1.00 0.00 N ATOM 39284 C4 U B1827 -2.057 -14.440 -8.437 1.00 0.00 C ATOM 39285 O4 U B1827 -3.155 -14.096 -8.882 1.00 0.00 O ATOM 39286 C5 U B1827 -1.646 -15.800 -8.186 1.00 0.00 C ATOM 39287 C6 U B1827 -0.422 -16.068 -7.702 1.00 0.00 C ATOM 39288 P G B1828 1.101 -16.514 -2.013 1.00 0.00 P ATOM 39289 O1P G B1828 1.168 -15.233 -1.267 1.00 0.00 O ATOM 39290 O2P G B1828 1.408 -17.731 -1.230 1.00 0.00 O ATOM 39291 O5* G B1828 -0.472 -16.688 -2.931 1.00 0.00 O ATOM 39292 C5* G B1828 -1.898 -16.644 -3.250 1.00 0.00 C ATOM 39293 C4* G B1828 -2.571 -15.203 -2.876 1.00 0.00 C ATOM 39294 O4* G B1828 -1.716 -14.163 -2.324 1.00 0.00 O ATOM 39295 C3* G B1828 -3.985 -14.641 -2.726 1.00 0.00 C ATOM 39296 O3* G B1828 -4.823 -13.787 -3.958 1.00 0.00 O ATOM 39297 C2* G B1828 -3.888 -13.891 -1.394 1.00 0.00 C ATOM 39298 O2* G B1828 -3.913 -14.798 -0.308 1.00 0.00 O ATOM 39299 C1* G B1828 -2.474 -13.325 -1.466 1.00 0.00 C ATOM 39300 N9 G B1828 -2.380 -11.755 -2.044 1.00 0.00 N ATOM 39301 C8 G B1828 -2.479 -11.301 -3.343 1.00 0.00 C ATOM 39302 N7 G B1828 -2.519 -9.994 -3.449 1.00 0.00 N ATOM 39303 C5 G B1828 -2.436 -9.554 -2.127 1.00 0.00 C ATOM 39304 C6 G B1828 -2.431 -8.232 -1.600 1.00 0.00 C ATOM 39305 O6 G B1828 -2.502 -7.168 -2.202 1.00 0.00 O ATOM 39306 N1 G B1828 -2.339 -8.241 -0.203 1.00 0.00 N ATOM 39307 C2 G B1828 -2.261 -9.370 0.587 1.00 0.00 C ATOM 39308 N2 G B1828 -2.179 -9.168 1.901 1.00 0.00 N ATOM 39309 N3 G B1828 -2.268 -10.608 0.093 1.00 0.00 N ATOM 39310 C4 G B1828 -2.356 -10.619 -1.263 1.00 0.00 C ATOM 39311 P A B1829 -4.036 -13.892 -5.734 1.00 0.00 P ATOM 39312 O1P A B1829 -3.202 -14.739 -4.857 1.00 0.00 O ATOM 39313 O2P A B1829 -3.303 -12.946 -6.608 1.00 0.00 O ATOM 39314 O5* A B1829 -4.995 -14.816 -6.625 1.00 0.00 O ATOM 39315 C5* A B1829 -4.417 -15.894 -7.380 1.00 0.00 C ATOM 39316 C4* A B1829 -5.510 -16.707 -8.044 1.00 0.00 C ATOM 39317 O4* A B1829 -6.274 -17.400 -7.014 1.00 0.00 O ATOM 39318 C3* A B1829 -6.567 -15.906 -8.810 1.00 0.00 C ATOM 39319 O3* A B1829 -6.143 -15.611 -10.103 1.00 0.00 O ATOM 39320 C2* A B1829 -7.765 -16.850 -8.781 1.00 0.00 C ATOM 39321 O2* A B1829 -7.598 -17.904 -9.716 1.00 0.00 O ATOM 39322 C1* A B1829 -7.639 -17.467 -7.392 1.00 0.00 C ATOM 39323 N9 A B1829 -8.439 -16.762 -6.353 1.00 0.00 N ATOM 39324 C8 A B1829 -8.009 -15.927 -5.343 1.00 0.00 C ATOM 39325 N7 A B1829 -8.963 -15.468 -4.595 1.00 0.00 N ATOM 39326 C5 A B1829 -10.112 -16.033 -5.133 1.00 0.00 C ATOM 39327 C6 A B1829 -11.469 -15.935 -4.786 1.00 0.00 C ATOM 39328 N6 A B1829 -11.920 -15.199 -3.758 1.00 0.00 N ATOM 39329 N1 A B1829 -12.351 -16.625 -5.530 1.00 0.00 N ATOM 39330 C2 A B1829 -11.899 -17.353 -6.550 1.00 0.00 C ATOM 39331 N3 A B1829 -10.664 -17.522 -6.968 1.00 0.00 N ATOM 39332 C4 A B1829 -9.802 -16.821 -6.204 1.00 0.00 C ATOM 39333 P C B1830 -6.607 -14.197 -10.777 1.00 0.00 P ATOM 39334 O1P C B1830 -5.780 -13.900 -11.969 1.00 0.00 O ATOM 39335 O2P C B1830 -6.637 -13.143 -9.736 1.00 0.00 O ATOM 39336 O5* C B1830 -8.101 -14.558 -11.227 1.00 0.00 O ATOM 39337 C5* C B1830 -8.310 -15.622 -12.170 1.00 0.00 C ATOM 39338 C4* C B1830 -9.791 -15.870 -12.358 1.00 0.00 C ATOM 39339 O4* C B1830 -10.336 -16.414 -11.118 1.00 0.00 O ATOM 39340 C3* C B1830 -10.645 -14.629 -12.622 1.00 0.00 C ATOM 39341 O3* C B1830 -10.638 -14.285 -13.970 1.00 0.00 O ATOM 39342 C2* C B1830 -12.019 -15.078 -12.134 1.00 0.00 C ATOM 39343 O2* C B1830 -12.630 -15.944 -13.078 1.00 0.00 O ATOM 39344 C1* C B1830 -11.655 -15.928 -10.923 1.00 0.00 C ATOM 39345 N1 C B1830 -11.679 -15.178 -9.636 1.00 0.00 N ATOM 39346 C2 C B1830 -12.922 -14.855 -9.094 1.00 0.00 C ATOM 39347 O2 C B1830 -13.941 -15.203 -9.699 1.00 0.00 O ATOM 39348 N3 C B1830 -12.968 -14.171 -7.923 1.00 0.00 N ATOM 39349 C4 C B1830 -11.835 -13.813 -7.301 1.00 0.00 C ATOM 39350 N4 C B1830 -11.934 -13.148 -6.159 1.00 0.00 N ATOM 39351 C5 C B1830 -10.549 -14.133 -7.840 1.00 0.00 C ATOM 39352 C6 C B1830 -10.528 -14.818 -9.011 1.00 0.00 C ATOM 39353 P G B1831 -10.719 -12.703 -14.377 1.00 0.00 P ATOM 39354 O1P G B1831 -10.335 -12.521 -15.794 1.00 0.00 O ATOM 39355 O2P G B1831 -9.956 -11.905 -13.395 1.00 0.00 O ATOM 39356 O5* G B1831 -12.286 -12.430 -14.202 1.00 0.00 O ATOM 39357 C5* G B1831 -13.222 -13.175 -15.004 1.00 0.00 C ATOM 39358 C4* G B1831 -14.641 -12.848 -14.587 1.00 0.00 C ATOM 39359 O4* G B1831 -14.867 -13.366 -13.243 1.00 0.00 O ATOM 39360 C3* G B1831 -14.972 -11.357 -14.466 1.00 0.00 C ATOM 39361 O3* G B1831 -15.318 -10.811 -15.698 1.00 0.00 O ATOM 39362 C2* G B1831 -16.137 -11.368 -13.478 1.00 0.00 C ATOM 39363 O2* G B1831 -17.332 -11.789 -14.114 1.00 0.00 O ATOM 39364 C1* G B1831 -15.721 -12.487 -12.528 1.00 0.00 C ATOM 39365 N9 G B1831 -14.986 -12.011 -11.325 1.00 0.00 N ATOM 39366 C8 G B1831 -13.643 -12.106 -11.032 1.00 0.00 C ATOM 39367 N7 G B1831 -13.308 -11.580 -9.880 1.00 0.00 N ATOM 39368 C5 G B1831 -14.515 -11.099 -9.371 1.00 0.00 C ATOM 39369 C6 G B1831 -14.796 -10.428 -8.154 1.00 0.00 C ATOM 39370 O6 G B1831 -14.018 -10.114 -7.254 1.00 0.00 O ATOM 39371 N1 G B1831 -16.156 -10.121 -8.037 1.00 0.00 N ATOM 39372 C2 G B1831 -17.124 -10.422 -8.976 1.00 0.00 C ATOM 39373 N2 G B1831 -18.370 -10.042 -8.678 1.00 0.00 N ATOM 39374 N3 G B1831 -16.863 -11.054 -10.117 1.00 0.00 N ATOM 39375 C4 G B1831 -15.545 -11.357 -10.247 1.00 0.00 C ATOM 39376 P C B1832 -14.915 -9.260 -16.013 1.00 0.00 P ATOM 39377 O1P C B1832 -15.029 -8.982 -17.460 1.00 0.00 O ATOM 39378 O2P C B1832 -13.601 -8.962 -15.401 1.00 0.00 O ATOM 39379 O5* C B1832 -16.069 -8.484 -15.219 1.00 0.00 O ATOM 39380 C5* C B1832 -17.441 -8.702 -15.595 1.00 0.00 C ATOM 39381 C4* C B1832 -18.365 -7.972 -14.639 1.00 0.00 C ATOM 39382 O4* C B1832 -18.276 -8.599 -13.329 1.00 0.00 O ATOM 39383 C3* C B1832 -18.016 -6.508 -14.369 1.00 0.00 C ATOM 39384 O3* C B1832 -18.541 -5.670 -15.351 1.00 0.00 O ATOM 39385 C2* C B1832 -18.650 -6.273 -12.999 1.00 0.00 C ATOM 39386 O2* C B1832 -20.056 -6.129 -13.112 1.00 0.00 O ATOM 39387 C1* C B1832 -18.397 -7.615 -12.315 1.00 0.00 C ATOM 39388 N1 C B1832 -17.150 -7.641 -11.497 1.00 0.00 N ATOM 39389 C2 C B1832 -17.157 -6.965 -10.281 1.00 0.00 C ATOM 39390 O2 C B1832 -18.186 -6.374 -9.930 1.00 0.00 O ATOM 39391 N3 C B1832 -16.031 -6.977 -9.521 1.00 0.00 N ATOM 39392 C4 C B1832 -14.936 -7.627 -9.933 1.00 0.00 C ATOM 39393 N4 C B1832 -13.865 -7.609 -9.157 1.00 0.00 N ATOM 39394 C5 C B1832 -14.909 -8.330 -11.183 1.00 0.00 C ATOM 39395 C6 C B1832 -16.042 -8.306 -11.926 1.00 0.00 C ATOM 39396 P C B1833 -17.702 -4.330 -15.771 1.00 0.00 P ATOM 39397 O1P C B1833 -18.213 -3.788 -17.047 1.00 0.00 O ATOM 39398 O2P C B1833 -16.252 -4.625 -15.730 1.00 0.00 O ATOM 39399 O5* C B1833 -18.089 -3.347 -14.569 1.00 0.00 O ATOM 39400 C5* C B1833 -19.472 -3.001 -14.369 1.00 0.00 C ATOM 39401 C4* C B1833 -19.622 -2.165 -13.113 1.00 0.00 C ATOM 39402 O4* C B1833 -19.321 -2.998 -11.957 1.00 0.00 O ATOM 39403 C3* C B1833 -18.655 -0.985 -12.978 1.00 0.00 C ATOM 39404 O3* C B1833 -19.125 0.137 -13.653 1.00 0.00 O ATOM 39405 C2* C B1833 -18.604 -0.788 -11.464 1.00 0.00 C ATOM 39406 O2* C B1833 -19.778 -0.137 -11.005 1.00 0.00 O ATOM 39407 C1* C B1833 -18.666 -2.225 -10.962 1.00 0.00 C ATOM 39408 N1 C B1833 -17.330 -2.828 -10.710 1.00 0.00 N ATOM 39409 C2 C B1833 -16.630 -2.414 -9.581 1.00 0.00 C ATOM 39410 O2 C B1833 -17.144 -1.569 -8.841 1.00 0.00 O ATOM 39411 N3 C B1833 -15.409 -2.954 -9.334 1.00 0.00 N ATOM 39412 C4 C B1833 -14.887 -3.865 -10.166 1.00 0.00 C ATOM 39413 N4 C B1833 -13.693 -4.362 -9.879 1.00 0.00 N ATOM 39414 C5 C B1833 -15.589 -4.307 -11.331 1.00 0.00 C ATOM 39415 C6 C B1833 -16.808 -3.756 -11.557 1.00 0.00 C ATOM 39416 P U B1834 -20.253 0.097 -15.102 1.00 0.00 P ATOM 39417 O1P U B1834 -20.598 1.479 -15.513 1.00 0.00 O ATOM 39418 O2P U B1834 -21.393 -0.814 -14.878 1.00 0.00 O ATOM 39419 O5* U B1834 -18.996 -0.625 -16.227 1.00 0.00 O ATOM 39420 C5* U B1834 -19.159 -0.583 -17.666 1.00 0.00 C ATOM 39421 C4* U B1834 -18.094 -1.248 -18.729 1.00 0.00 C ATOM 39422 O4* U B1834 -17.511 -2.560 -18.474 1.00 0.00 O ATOM 39423 C3* U B1834 -18.595 -1.343 -20.170 1.00 0.00 C ATOM 39424 O3* U B1834 -18.511 0.235 -20.518 1.00 0.00 O ATOM 39425 C2* U B1834 -17.532 -2.220 -20.824 1.00 0.00 C ATOM 39426 O2* U B1834 -16.352 -1.469 -21.074 1.00 0.00 O ATOM 39427 C1* U B1834 -17.202 -3.197 -19.701 1.00 0.00 C ATOM 39428 N1 U B1834 -18.052 -4.670 -19.768 1.00 0.00 N ATOM 39429 C2 U B1834 -17.317 -5.821 -19.612 1.00 0.00 C ATOM 39430 O2 U B1834 -16.100 -5.826 -19.567 1.00 0.00 O ATOM 39431 N3 U B1834 -18.052 -6.986 -19.512 1.00 0.00 N ATOM 39432 C4 U B1834 -19.430 -7.095 -19.556 1.00 0.00 C ATOM 39433 O4 U B1834 -19.978 -8.198 -19.452 1.00 0.00 O ATOM 39434 C5 U B1834 -20.114 -5.834 -19.719 1.00 0.00 C ATOM 39435 C6 U B1834 -19.423 -4.687 -19.818 1.00 0.00 C ATOM 39436 P G B1835 -17.183 1.220 -19.606 1.00 0.00 P ATOM 39437 O1P G B1835 -16.186 1.693 -20.592 1.00 0.00 O ATOM 39438 O2P G B1835 -16.643 0.429 -18.477 1.00 0.00 O ATOM 39439 O5* G B1835 -18.019 2.464 -19.042 1.00 0.00 O ATOM 39440 C5* G B1835 -19.423 2.298 -18.778 1.00 0.00 C ATOM 39441 C4* G B1835 -19.983 3.554 -18.137 1.00 0.00 C ATOM 39442 O4* G B1835 -19.409 3.700 -16.805 1.00 0.00 O ATOM 39443 C3* G B1835 -19.629 4.871 -18.833 1.00 0.00 C ATOM 39444 O3* G B1835 -20.502 5.141 -19.884 1.00 0.00 O ATOM 39445 C2* G B1835 -19.749 5.878 -17.692 1.00 0.00 C ATOM 39446 O2* G B1835 -21.109 6.159 -17.409 1.00 0.00 O ATOM 39447 C1* G B1835 -19.208 5.072 -16.514 1.00 0.00 C ATOM 39448 N9 G B1835 -17.755 5.282 -16.262 1.00 0.00 N ATOM 39449 C8 G B1835 -16.697 4.440 -16.526 1.00 0.00 C ATOM 39450 N7 G B1835 -15.530 4.927 -16.180 1.00 0.00 N ATOM 39451 C5 G B1835 -15.837 6.181 -15.651 1.00 0.00 C ATOM 39452 C6 G B1835 -14.986 7.180 -15.114 1.00 0.00 C ATOM 39453 O6 G B1835 -13.764 7.163 -14.986 1.00 0.00 O ATOM 39454 N1 G B1835 -15.715 8.299 -14.690 1.00 0.00 N ATOM 39455 C2 G B1835 -17.085 8.437 -14.778 1.00 0.00 C ATOM 39456 N2 G B1835 -17.590 9.586 -14.321 1.00 0.00 N ATOM 39457 N3 G B1835 -17.882 7.502 -15.284 1.00 0.00 N ATOM 39458 C4 G B1835 -17.192 6.405 -15.698 1.00 0.00 C ATOM 39459 P C B1836 -19.928 5.914 -21.201 1.00 0.00 P ATOM 39460 O1P C B1836 -20.879 5.785 -22.327 1.00 0.00 O ATOM 39461 O2P C B1836 -18.546 5.463 -21.473 1.00 0.00 O ATOM 39462 O5* C B1836 -19.911 7.428 -20.680 1.00 0.00 O ATOM 39463 C5* C B1836 -21.148 8.037 -20.272 1.00 0.00 C ATOM 39464 C4* C B1836 -20.882 9.417 -19.700 1.00 0.00 C ATOM 39465 O4* C B1836 -20.157 9.273 -18.446 1.00 0.00 O ATOM 39466 C3* C B1836 -19.987 10.324 -20.543 1.00 0.00 C ATOM 39467 O3* C B1836 -20.714 10.990 -21.528 1.00 0.00 O ATOM 39468 C2* C B1836 -19.416 11.275 -19.491 1.00 0.00 C ATOM 39469 O2* C B1836 -20.380 12.241 -19.111 1.00 0.00 O ATOM 39470 C1* C B1836 -19.232 10.343 -18.300 1.00 0.00 C ATOM 39471 N1 C B1836 -17.866 9.756 -18.206 1.00 0.00 N ATOM 39472 C2 C B1836 -16.834 10.585 -17.776 1.00 0.00 C ATOM 39473 O2 C B1836 -17.091 11.761 -17.493 1.00 0.00 O ATOM 39474 N3 C B1836 -15.580 10.071 -17.682 1.00 0.00 N ATOM 39475 C4 C B1836 -15.342 8.790 -17.998 1.00 0.00 C ATOM 39476 N4 C B1836 -14.104 8.337 -17.887 1.00 0.00 N ATOM 39477 C5 C B1836 -16.390 7.922 -18.439 1.00 0.00 C ATOM 39478 C6 C B1836 -17.636 8.454 -18.528 1.00 0.00 C ATOM 39479 P C B1837 -19.992 11.302 -22.960 1.00 0.00 P ATOM 39480 O1P C B1837 -21.007 11.664 -23.975 1.00 0.00 O ATOM 39481 O2P C B1837 -19.097 10.180 -23.315 1.00 0.00 O ATOM 39482 O5* C B1837 -19.121 12.590 -22.582 1.00 0.00 O ATOM 39483 C5* C B1837 -19.793 13.776 -22.116 1.00 0.00 C ATOM 39484 C4* C B1837 -18.775 14.819 -21.702 1.00 0.00 C ATOM 39485 O4* C B1837 -18.081 14.349 -20.510 1.00 0.00 O ATOM 39486 C3* C B1837 -17.655 15.091 -22.703 1.00 0.00 C ATOM 39487 O3* C B1837 -18.046 16.012 -23.674 1.00 0.00 O ATOM 39488 C2* C B1837 -16.543 15.626 -21.798 1.00 0.00 C ATOM 39489 O2* C B1837 -16.804 16.965 -21.421 1.00 0.00 O ATOM 39490 C1* C B1837 -16.726 14.768 -20.550 1.00 0.00 C ATOM 39491 N1 C B1837 -15.867 13.550 -20.528 1.00 0.00 N ATOM 39492 C2 C B1837 -14.510 13.719 -20.273 1.00 0.00 C ATOM 39493 O2 C B1837 -14.077 14.861 -20.078 1.00 0.00 O ATOM 39494 N3 C B1837 -13.710 12.623 -20.250 1.00 0.00 N ATOM 39495 C4 C B1837 -14.216 11.403 -20.467 1.00 0.00 C ATOM 39496 N4 C B1837 -13.395 10.364 -20.432 1.00 0.00 N ATOM 39497 C5 C B1837 -15.613 11.207 -20.729 1.00 0.00 C ATOM 39498 C6 C B1837 -16.393 12.316 -20.750 1.00 0.00 C ATOM 39499 P C B1838 -17.326 17.613 -24.210 1.00 0.00 P ATOM 39500 O1P C B1838 -16.682 18.427 -23.153 1.00 0.00 O ATOM 39501 O2P C B1838 -18.316 18.314 -25.051 1.00 0.00 O ATOM 39502 O5* C B1838 -16.098 16.733 -25.205 1.00 0.00 O ATOM 39503 C5* C B1838 -15.165 15.860 -25.804 1.00 0.00 C ATOM 39504 C4* C B1838 -13.939 15.464 -24.838 1.00 0.00 C ATOM 39505 O4* C B1838 -12.984 16.523 -24.528 1.00 0.00 O ATOM 39506 C3* C B1838 -13.922 14.578 -23.595 1.00 0.00 C ATOM 39507 O3* C B1838 -14.482 13.127 -23.622 1.00 0.00 O ATOM 39508 C2* C B1838 -12.456 14.643 -23.175 1.00 0.00 C ATOM 39509 O2* C B1838 -11.655 13.826 -24.010 1.00 0.00 O ATOM 39510 C1* C B1838 -12.105 16.092 -23.503 1.00 0.00 C ATOM 39511 N1 C B1838 -12.241 17.175 -22.185 1.00 0.00 N ATOM 39512 C2 C B1838 -12.085 18.534 -22.444 1.00 0.00 C ATOM 39513 O2 C B1838 -11.873 18.899 -23.605 1.00 0.00 O ATOM 39514 N3 C B1838 -12.173 19.408 -21.407 1.00 0.00 N ATOM 39515 C4 C B1838 -12.401 18.974 -20.165 1.00 0.00 C ATOM 39516 N4 C B1838 -12.477 19.866 -19.189 1.00 0.00 N ATOM 39517 C5 C B1838 -12.568 17.582 -19.874 1.00 0.00 C ATOM 39518 C6 C B1838 -12.475 16.722 -20.924 1.00 0.00 C ATOM 39519 P G B1839 -15.565 12.558 -24.984 1.00 0.00 P ATOM 39520 O1P G B1839 -16.151 13.741 -25.658 1.00 0.00 O ATOM 39521 O2P G B1839 -16.523 11.491 -24.617 1.00 0.00 O ATOM 39522 O5* G B1839 -14.179 11.763 -25.860 1.00 0.00 O ATOM 39523 C5* G B1839 -13.199 11.310 -26.802 1.00 0.00 C ATOM 39524 C4* G B1839 -13.767 10.602 -28.158 1.00 0.00 C ATOM 39525 O4* G B1839 -14.131 9.199 -28.019 1.00 0.00 O ATOM 39526 C3* G B1839 -14.899 11.194 -28.995 1.00 0.00 C ATOM 39527 O3* G B1839 -14.982 12.663 -29.374 1.00 0.00 O ATOM 39528 C2* G B1839 -15.224 10.045 -29.951 1.00 0.00 C ATOM 39529 O2* G B1839 -14.248 9.955 -30.972 1.00 0.00 O ATOM 39530 C1* G B1839 -15.039 8.831 -29.046 1.00 0.00 C ATOM 39531 N9 G B1839 -16.489 8.257 -28.307 1.00 0.00 N ATOM 39532 C8 G B1839 -17.732 8.848 -28.252 1.00 0.00 C ATOM 39533 N7 G B1839 -18.624 8.152 -27.580 1.00 0.00 N ATOM 39534 C5 G B1839 -17.922 7.023 -27.166 1.00 0.00 C ATOM 39535 C6 G B1839 -18.354 5.909 -26.406 1.00 0.00 C ATOM 39536 O6 G B1839 -19.464 5.685 -25.932 1.00 0.00 O ATOM 39537 N1 G B1839 -17.317 4.985 -26.216 1.00 0.00 N ATOM 39538 C2 G B1839 -16.028 5.121 -26.698 1.00 0.00 C ATOM 39539 N2 G B1839 -15.188 4.129 -26.409 1.00 0.00 N ATOM 39540 N3 G B1839 -15.624 6.170 -27.412 1.00 0.00 N ATOM 39541 C4 G B1839 -16.620 7.072 -27.608 1.00 0.00 C ATOM 39542 P G B1840 -14.257 13.365 -30.890 1.00 0.00 P ATOM 39543 O1P G B1840 -15.265 14.157 -31.635 1.00 0.00 O ATOM 39544 O2P G B1840 -13.385 12.498 -31.713 1.00 0.00 O ATOM 39545 O5* G B1840 -13.361 14.341 -29.990 1.00 0.00 O ATOM 39546 C5* G B1840 -13.956 15.532 -29.445 1.00 0.00 C ATOM 39547 C4* G B1840 -12.970 16.235 -28.533 1.00 0.00 C ATOM 39548 O4* G B1840 -12.754 15.408 -27.353 1.00 0.00 O ATOM 39549 C3* G B1840 -11.565 16.442 -29.100 1.00 0.00 C ATOM 39550 O3* G B1840 -11.494 17.592 -29.886 1.00 0.00 O ATOM 39551 C2* G B1840 -10.719 16.540 -27.835 1.00 0.00 C ATOM 39552 O2* G B1840 -10.877 17.811 -27.223 1.00 0.00 O ATOM 39553 C1* G B1840 -11.405 15.525 -26.928 1.00 0.00 C ATOM 39554 N9 G B1840 -10.789 14.167 -26.975 1.00 0.00 N ATOM 39555 C8 G B1840 -11.256 13.019 -27.577 1.00 0.00 C ATOM 39556 N7 G B1840 -10.466 11.983 -27.434 1.00 0.00 N ATOM 39557 C5 G B1840 -9.402 12.480 -26.683 1.00 0.00 C ATOM 39558 C6 G B1840 -8.234 11.826 -26.212 1.00 0.00 C ATOM 39559 O6 G B1840 -7.892 10.654 -26.363 1.00 0.00 O ATOM 39560 N1 G B1840 -7.414 12.702 -25.490 1.00 0.00 N ATOM 39561 C2 G B1840 -7.687 14.036 -25.254 1.00 0.00 C ATOM 39562 N2 G B1840 -6.773 14.701 -24.542 1.00 0.00 N ATOM 39563 N3 G B1840 -8.782 14.647 -25.696 1.00 0.00 N ATOM 39564 C4 G B1840 -9.588 13.810 -26.398 1.00 0.00 C ATOM 39565 P U B1841 -10.498 17.598 -31.178 1.00 0.00 P ATOM 39566 O1P U B1841 -10.830 18.731 -32.076 1.00 0.00 O ATOM 39567 O2P U B1841 -10.499 16.259 -31.808 1.00 0.00 O ATOM 39568 O5* U B1841 -9.089 17.866 -30.469 1.00 0.00 O ATOM 39569 C5* U B1841 -8.902 19.080 -29.720 1.00 0.00 C ATOM 39570 C4* U B1841 -7.553 19.065 -29.036 1.00 0.00 C ATOM 39571 O4* U B1841 -7.556 18.037 -28.005 1.00 0.00 O ATOM 39572 C3* U B1841 -6.362 18.693 -29.922 1.00 0.00 C ATOM 39573 O3* U B1841 -5.879 19.797 -30.619 1.00 0.00 O ATOM 39574 C2* U B1841 -5.358 18.158 -28.902 1.00 0.00 C ATOM 39575 O2* U B1841 -4.752 19.222 -28.189 1.00 0.00 O ATOM 39576 C1* U B1841 -6.274 17.436 -27.922 1.00 0.00 C ATOM 39577 N1 U B1841 -6.431 15.981 -28.209 1.00 0.00 N ATOM 39578 C2 U B1841 -5.368 15.164 -27.905 1.00 0.00 C ATOM 39579 O2 U B1841 -4.331 15.581 -27.421 1.00 0.00 O ATOM 39580 N3 U B1841 -5.549 13.826 -28.188 1.00 0.00 N ATOM 39581 C4 U B1841 -6.678 13.247 -28.736 1.00 0.00 C ATOM 39582 O4 U B1841 -6.723 12.033 -28.942 1.00 0.00 O ATOM 39583 C5 U B1841 -7.739 14.183 -29.018 1.00 0.00 C ATOM 39584 C6 U B1841 -7.587 15.492 -28.755 1.00 0.00 C ATOM 39585 P G B1842 -5.700 20.109 -32.397 1.00 0.00 P ATOM 39586 O1P G B1842 -5.443 21.559 -32.557 1.00 0.00 O ATOM 39587 O2P G B1842 -6.249 19.417 -33.579 1.00 0.00 O ATOM 39588 O5* G B1842 -4.367 19.375 -31.904 1.00 0.00 O ATOM 39589 C5* G B1842 -3.713 19.835 -30.707 1.00 0.00 C ATOM 39590 C4* G B1842 -2.552 18.922 -30.365 1.00 0.00 C ATOM 39591 O4* G B1842 -3.076 17.620 -29.975 1.00 0.00 O ATOM 39592 C3* G B1842 -1.594 18.606 -31.513 1.00 0.00 C ATOM 39593 O3* G B1842 -0.632 19.603 -31.667 1.00 0.00 O ATOM 39594 C2* G B1842 -0.996 17.272 -31.073 1.00 0.00 C ATOM 39595 O2* G B1842 -0.029 17.465 -30.055 1.00 0.00 O ATOM 39596 C1* G B1842 -2.199 16.597 -30.423 1.00 0.00 C ATOM 39597 N9 G B1842 -2.958 15.708 -31.343 1.00 0.00 N ATOM 39598 C8 G B1842 -4.184 15.916 -31.942 1.00 0.00 C ATOM 39599 N7 G B1842 -4.577 14.928 -32.710 1.00 0.00 N ATOM 39600 C5 G B1842 -3.544 13.999 -32.612 1.00 0.00 C ATOM 39601 C6 G B1842 -3.399 12.725 -33.218 1.00 0.00 C ATOM 39602 O6 G B1842 -4.166 12.144 -33.981 1.00 0.00 O ATOM 39603 N1 G B1842 -2.193 12.115 -32.846 1.00 0.00 N ATOM 39604 C2 G B1842 -1.248 12.666 -32.000 1.00 0.00 C ATOM 39605 N2 G B1842 -0.162 11.923 -31.774 1.00 0.00 N ATOM 39606 N3 G B1842 -1.383 13.861 -31.434 1.00 0.00 N ATOM 39607 C4 G B1842 -2.551 14.465 -31.781 1.00 0.00 C ATOM 39608 P C B1843 -0.088 19.948 -33.167 1.00 0.00 P ATOM 39609 O1P C B1843 0.626 21.243 -33.167 1.00 0.00 O ATOM 39610 O2P C B1843 -1.202 19.825 -34.133 1.00 0.00 O ATOM 39611 O5* C B1843 0.954 18.753 -33.388 1.00 0.00 O ATOM 39612 C5* C B1843 2.074 18.630 -32.492 1.00 0.00 C ATOM 39613 C4* C B1843 2.854 17.369 -32.809 1.00 0.00 C ATOM 39614 O4* C B1843 2.034 16.212 -32.474 1.00 0.00 O ATOM 39615 C3* C B1843 3.209 17.156 -34.282 1.00 0.00 C ATOM 39616 O3* C B1843 4.370 17.838 -34.632 1.00 0.00 O ATOM 39617 C2* C B1843 3.368 15.638 -34.356 1.00 0.00 C ATOM 39618 O2* C B1843 4.606 15.237 -33.793 1.00 0.00 O ATOM 39619 C1* C B1843 2.276 15.167 -33.404 1.00 0.00 C ATOM 39620 N1 C B1843 0.988 14.849 -34.080 1.00 0.00 N ATOM 39621 C2 C B1843 0.918 13.670 -34.820 1.00 0.00 C ATOM 39622 O2 C B1843 1.917 12.947 -34.886 1.00 0.00 O ATOM 39623 N3 C B1843 -0.246 13.364 -35.447 1.00 0.00 N ATOM 39624 C4 C B1843 -1.306 14.176 -35.353 1.00 0.00 C ATOM 39625 N4 C B1843 -2.420 13.829 -35.981 1.00 0.00 N ATOM 39626 C5 C B1843 -1.257 15.391 -34.597 1.00 0.00 C ATOM 39627 C6 C B1843 -0.084 15.680 -33.981 1.00 0.00 C ATOM 39628 P C B1844 4.496 18.450 -36.142 1.00 0.00 P ATOM 39629 O1P C B1844 5.602 19.429 -36.206 1.00 0.00 O ATOM 39630 O2P C B1844 3.173 18.941 -36.585 1.00 0.00 O ATOM 39631 O5* C B1844 4.889 17.135 -36.967 1.00 0.00 O ATOM 39632 C5* C B1844 6.104 16.439 -36.633 1.00 0.00 C ATOM 39633 C4* C B1844 6.211 15.166 -37.446 1.00 0.00 C ATOM 39634 O4* C B1844 5.172 14.240 -37.016 1.00 0.00 O ATOM 39635 C3* C B1844 5.971 15.312 -38.951 1.00 0.00 C ATOM 39636 O3* C B1844 7.128 15.712 -39.614 1.00 0.00 O ATOM 39637 C2* C B1844 5.524 13.907 -39.342 1.00 0.00 C ATOM 39638 O2* C B1844 6.629 13.023 -39.403 1.00 0.00 O ATOM 39639 C1* C B1844 4.696 13.498 -38.126 1.00 0.00 C ATOM 39640 N1 C B1844 3.238 13.772 -38.275 1.00 0.00 N ATOM 39641 C2 C B1844 2.505 12.945 -39.116 1.00 0.00 C ATOM 39642 O2 C B1844 3.082 12.021 -39.697 1.00 0.00 O ATOM 39643 N3 C B1844 1.175 13.179 -39.264 1.00 0.00 N ATOM 39644 C4 C B1844 0.584 14.188 -38.614 1.00 0.00 C ATOM 39645 N4 C B1844 -0.716 14.377 -38.792 1.00 0.00 N ATOM 39646 C5 C B1844 1.320 15.056 -37.743 1.00 0.00 C ATOM 39647 C6 C B1844 2.646 14.804 -37.608 1.00 0.00 C ATOM 39648 P G B1845 6.988 16.686 -40.916 1.00 0.00 P ATOM 39649 O1P G B1845 8.299 17.289 -41.251 1.00 0.00 O ATOM 39650 O2P G B1845 5.878 17.641 -40.702 1.00 0.00 O ATOM 39651 O5* G B1845 6.577 15.624 -42.042 1.00 0.00 O ATOM 39652 C5* G B1845 7.480 14.548 -42.349 1.00 0.00 C ATOM 39653 C4* G B1845 6.840 13.602 -43.346 1.00 0.00 C ATOM 39654 O4* G B1845 5.723 12.922 -42.699 1.00 0.00 O ATOM 39655 C3* G B1845 6.209 14.254 -44.575 1.00 0.00 C ATOM 39656 O3* G B1845 7.156 14.490 -45.569 1.00 0.00 O ATOM 39657 C2* G B1845 5.168 13.217 -44.989 1.00 0.00 C ATOM 39658 O2* G B1845 5.783 12.118 -45.640 1.00 0.00 O ATOM 39659 C1* G B1845 4.679 12.714 -43.634 1.00 0.00 C ATOM 39660 N9 G B1845 3.465 13.419 -43.135 1.00 0.00 N ATOM 39661 C8 G B1845 3.356 14.356 -42.132 1.00 0.00 C ATOM 39662 N7 G B1845 2.133 14.789 -41.938 1.00 0.00 N ATOM 39663 C5 G B1845 1.380 14.086 -42.878 1.00 0.00 C ATOM 39664 C6 G B1845 -0.012 14.128 -43.148 1.00 0.00 C ATOM 39665 O6 G B1845 -0.884 14.800 -42.604 1.00 0.00 O ATOM 39666 N1 G B1845 -0.357 13.250 -44.185 1.00 0.00 N ATOM 39667 C2 G B1845 0.528 12.441 -44.876 1.00 0.00 C ATOM 39668 N2 G B1845 -0.001 11.679 -45.833 1.00 0.00 N ATOM 39669 N3 G B1845 1.833 12.405 -44.620 1.00 0.00 N ATOM 39670 C4 G B1845 2.185 13.249 -43.613 1.00 0.00 C ATOM 39671 P G B1846 6.986 15.812 -46.517 1.00 0.00 P ATOM 39672 O1P G B1846 8.245 16.089 -47.239 1.00 0.00 O ATOM 39673 O2P G B1846 6.443 16.928 -45.713 1.00 0.00 O ATOM 39674 O5* G B1846 5.872 15.296 -47.547 1.00 0.00 O ATOM 39675 C5* G B1846 6.158 14.150 -48.370 1.00 0.00 C ATOM 39676 C4* G B1846 4.932 13.767 -49.170 1.00 0.00 C ATOM 39677 O4* G B1846 3.910 13.269 -48.260 1.00 0.00 O ATOM 39678 C3* G B1846 4.236 14.909 -49.912 1.00 0.00 C ATOM 39679 O3* G B1846 4.833 15.157 -51.146 1.00 0.00 O ATOM 39680 C2* G B1846 2.811 14.383 -50.045 1.00 0.00 C ATOM 39681 O2* G B1846 2.728 13.402 -51.067 1.00 0.00 O ATOM 39682 C1* G B1846 2.625 13.654 -48.717 1.00 0.00 C ATOM 39683 N9 G B1846 1.990 14.488 -47.661 1.00 0.00 N ATOM 39684 C8 G B1846 2.561 15.072 -46.551 1.00 0.00 C ATOM 39685 N7 G B1846 1.719 15.753 -45.811 1.00 0.00 N ATOM 39686 C5 G B1846 0.502 15.606 -46.477 1.00 0.00 C ATOM 39687 C6 G B1846 -0.781 16.116 -46.153 1.00 0.00 C ATOM 39688 O6 G B1846 -1.114 16.816 -45.200 1.00 0.00 O ATOM 39689 N1 G B1846 -1.739 15.728 -47.101 1.00 0.00 N ATOM 39690 C2 G B1846 -1.490 14.948 -48.212 1.00 0.00 C ATOM 39691 N2 G B1846 -2.538 14.688 -48.995 1.00 0.00 N ATOM 39692 N3 G B1846 -0.284 14.470 -48.513 1.00 0.00 N ATOM 39693 C4 G B1846 0.657 14.838 -47.608 1.00 0.00 C ATOM 39694 P A B1847 6.219 14.057 -51.617 1.00 0.00 P ATOM 39695 O1P A B1847 6.006 13.714 -53.040 1.00 0.00 O ATOM 39696 O2P A B1847 6.590 12.932 -50.731 1.00 0.00 O ATOM 39697 O5* A B1847 7.288 15.487 -51.220 1.00 0.00 O ATOM 39698 C5* A B1847 7.186 16.895 -51.622 1.00 0.00 C ATOM 39699 C4* A B1847 8.568 17.821 -52.241 1.00 0.00 C ATOM 39700 O4* A B1847 8.432 19.045 -51.456 1.00 0.00 O ATOM 39701 C3* A B1847 9.741 17.095 -51.585 1.00 0.00 C ATOM 39702 O3* A B1847 10.039 16.318 -53.022 1.00 0.00 O ATOM 39703 C2* A B1847 10.657 18.254 -51.191 1.00 0.00 C ATOM 39704 O2* A B1847 11.342 18.757 -52.326 1.00 0.00 O ATOM 39705 C1* A B1847 9.644 19.319 -50.774 1.00 0.00 C ATOM 39706 N9 A B1847 9.318 19.373 -49.115 1.00 0.00 N ATOM 39707 C8 A B1847 8.468 18.567 -48.385 1.00 0.00 C ATOM 39708 N7 A B1847 8.253 18.986 -47.175 1.00 0.00 N ATOM 39709 C5 A B1847 9.008 20.146 -47.084 1.00 0.00 C ATOM 39710 C6 A B1847 9.210 21.065 -46.043 1.00 0.00 C ATOM 39711 N6 A B1847 8.637 20.952 -44.841 1.00 0.00 N ATOM 39712 N1 A B1847 10.022 22.110 -46.285 1.00 0.00 N ATOM 39713 C2 A B1847 10.590 22.218 -47.486 1.00 0.00 C ATOM 39714 N3 A B1847 10.478 21.424 -48.531 1.00 0.00 N ATOM 39715 C4 A B1847 9.660 20.387 -48.263 1.00 0.00 C ATOM 39716 P A B1848 8.568 15.548 -53.978 1.00 0.00 P ATOM 39717 O1P A B1848 7.253 15.993 -53.465 1.00 0.00 O ATOM 39718 O2P A B1848 8.867 14.108 -53.831 1.00 0.00 O ATOM 39719 O5* A B1848 7.984 16.153 -55.695 1.00 0.00 O ATOM 39720 C5* A B1848 6.409 16.260 -55.672 1.00 0.00 C ATOM 39721 C4* A B1848 5.809 17.928 -55.756 1.00 0.00 C ATOM 39722 O4* A B1848 6.484 18.324 -56.985 1.00 0.00 O ATOM 39723 C3* A B1848 6.123 19.070 -54.782 1.00 0.00 C ATOM 39724 O3* A B1848 5.232 19.752 -53.649 1.00 0.00 O ATOM 39725 C2* A B1848 7.551 19.440 -55.180 1.00 0.00 C ATOM 39726 O2* A B1848 8.475 18.487 -54.677 1.00 0.00 O ATOM 39727 C1* A B1848 7.508 19.262 -56.694 1.00 0.00 C ATOM 39728 N9 A B1848 8.954 18.702 -57.383 1.00 0.00 N ATOM 39729 C8 A B1848 9.203 18.371 -58.696 1.00 0.00 C ATOM 39730 N7 A B1848 10.356 17.805 -58.888 1.00 0.00 N ATOM 39731 C5 A B1848 10.918 17.747 -57.621 1.00 0.00 C ATOM 39732 C6 A B1848 12.145 17.256 -57.152 1.00 0.00 C ATOM 39733 N6 A B1848 13.072 16.699 -57.941 1.00 0.00 N ATOM 39734 N1 A B1848 12.390 17.356 -55.831 1.00 0.00 N ATOM 39735 C2 A B1848 11.469 17.916 -55.049 1.00 0.00 C ATOM 39736 N3 A B1848 10.292 18.410 -55.372 1.00 0.00 N ATOM 39737 C4 A B1848 10.072 18.294 -56.700 1.00 0.00 C ATOM 39738 P G B1849 5.641 19.115 -51.596 1.00 0.00 P ATOM 39739 O1P G B1849 5.737 20.371 -50.812 1.00 0.00 O ATOM 39740 O2P G B1849 6.654 18.947 -52.662 1.00 0.00 O ATOM 39741 O5* G B1849 4.173 18.974 -52.213 1.00 0.00 O ATOM 39742 C5* G B1849 3.938 17.989 -53.237 1.00 0.00 C ATOM 39743 C4* G B1849 2.464 17.940 -53.583 1.00 0.00 C ATOM 39744 O4* G B1849 1.727 17.413 -52.444 1.00 0.00 O ATOM 39745 C3* G B1849 1.802 19.292 -53.860 1.00 0.00 C ATOM 39746 O3* G B1849 1.993 19.696 -55.177 1.00 0.00 O ATOM 39747 C2* G B1849 0.338 18.999 -53.539 1.00 0.00 C ATOM 39748 O2* G B1849 -0.268 18.263 -54.587 1.00 0.00 O ATOM 39749 C1* G B1849 0.465 18.055 -52.349 1.00 0.00 C ATOM 39750 N9 G B1849 0.394 18.742 -51.031 1.00 0.00 N ATOM 39751 C8 G B1849 1.407 19.010 -50.133 1.00 0.00 C ATOM 39752 N7 G B1849 1.009 19.636 -49.048 1.00 0.00 N ATOM 39753 C5 G B1849 -0.363 19.793 -49.246 1.00 0.00 C ATOM 39754 C6 G B1849 -1.341 20.399 -48.414 1.00 0.00 C ATOM 39755 O6 G B1849 -1.196 20.931 -47.318 1.00 0.00 O ATOM 39756 N1 G B1849 -2.616 20.340 -48.996 1.00 0.00 N ATOM 39757 C2 G B1849 -2.907 19.770 -50.222 1.00 0.00 C ATOM 39758 N2 G B1849 -4.186 19.815 -50.598 1.00 0.00 N ATOM 39759 N3 G B1849 -1.990 19.203 -51.000 1.00 0.00 N ATOM 39760 C4 G B1849 -0.746 19.250 -50.449 1.00 0.00 C ATOM 39761 P G B1850 2.151 21.291 -55.494 1.00 0.00 P ATOM 39762 O1P G B1850 2.704 21.490 -56.854 1.00 0.00 O ATOM 39763 O2P G B1850 2.896 21.939 -54.394 1.00 0.00 O ATOM 39764 O5* G B1850 0.619 21.754 -55.460 1.00 0.00 O ATOM 39765 C5* G B1850 -0.307 21.170 -56.394 1.00 0.00 C ATOM 39766 C4* G B1850 -1.713 21.658 -56.102 1.00 0.00 C ATOM 39767 O4* G B1850 -2.145 21.111 -54.825 1.00 0.00 O ATOM 39768 C3* G B1850 -1.872 23.169 -55.927 1.00 0.00 C ATOM 39769 O3* G B1850 -2.015 23.814 -57.155 1.00 0.00 O ATOM 39770 C2* G B1850 -3.127 23.261 -55.064 1.00 0.00 C ATOM 39771 O2* G B1850 -4.289 23.026 -55.839 1.00 0.00 O ATOM 39772 C1* G B1850 -2.957 22.056 -54.146 1.00 0.00 C ATOM 39773 N9 G B1850 -2.298 22.379 -52.849 1.00 0.00 N ATOM 39774 C8 G B1850 -1.016 22.100 -52.429 1.00 0.00 C ATOM 39775 N7 G B1850 -0.745 22.527 -51.216 1.00 0.00 N ATOM 39776 C5 G B1850 -1.934 23.130 -50.806 1.00 0.00 C ATOM 39777 C6 G B1850 -2.255 23.774 -49.584 1.00 0.00 C ATOM 39778 O6 G B1850 -1.547 23.947 -48.595 1.00 0.00 O ATOM 39779 N1 G B1850 -3.574 24.249 -49.588 1.00 0.00 N ATOM 39780 C2 G B1850 -4.466 24.115 -50.635 1.00 0.00 C ATOM 39781 N2 G B1850 -5.680 24.637 -50.441 1.00 0.00 N ATOM 39782 N3 G B1850 -4.163 23.511 -51.783 1.00 0.00 N ATOM 39783 C4 G B1850 -2.886 23.046 -51.796 1.00 0.00 C ATOM 39784 P U B1851 -1.347 23.158 -58.751 1.00 0.00 P ATOM 39785 O1P U B1851 -1.942 23.899 -59.886 1.00 0.00 O ATOM 39786 O2P U B1851 -1.446 21.688 -58.817 1.00 0.00 O ATOM 39787 O5* U B1851 0.392 23.683 -58.497 1.00 0.00 O ATOM 39788 C5* U B1851 1.541 23.476 -59.364 1.00 0.00 C ATOM 39789 C4* U B1851 1.746 24.598 -60.543 1.00 0.00 C ATOM 39790 O4* U B1851 0.731 25.636 -60.624 1.00 0.00 O ATOM 39791 C3* U B1851 3.067 25.365 -60.613 1.00 0.00 C ATOM 39792 O3* U B1851 4.339 24.503 -60.603 1.00 0.00 O ATOM 39793 C2* U B1851 2.730 26.491 -61.587 1.00 0.00 C ATOM 39794 O2* U B1851 2.705 26.013 -62.919 1.00 0.00 O ATOM 39795 C1* U B1851 1.289 26.808 -61.204 1.00 0.00 C ATOM 39796 N1 U B1851 1.114 28.088 -60.096 1.00 0.00 N ATOM 39797 C2 U B1851 1.430 29.348 -60.542 1.00 0.00 C ATOM 39798 O2 U B1851 1.765 29.579 -61.688 1.00 0.00 O ATOM 39799 N3 U B1851 1.347 30.349 -59.597 1.00 0.00 N ATOM 39800 C4 U B1851 0.985 30.202 -58.275 1.00 0.00 C ATOM 39801 O4 U B1851 0.943 31.174 -57.520 1.00 0.00 O ATOM 39802 C5 U B1851 0.667 28.843 -57.899 1.00 0.00 C ATOM 39803 C6 U B1851 0.743 27.849 -58.800 1.00 0.00 C ATOM 39804 P U B1852 5.362 24.111 -62.064 1.00 0.00 P ATOM 39805 O1P U B1852 5.483 25.265 -62.982 1.00 0.00 O ATOM 39806 O2P U B1852 5.037 22.809 -62.694 1.00 0.00 O ATOM 39807 O5* U B1852 6.783 23.969 -60.921 1.00 0.00 O ATOM 39808 C5* U B1852 7.504 23.724 -59.677 1.00 0.00 C ATOM 39809 C4* U B1852 8.715 22.633 -59.827 1.00 0.00 C ATOM 39810 O4* U B1852 8.939 22.376 -61.241 1.00 0.00 O ATOM 39811 C3* U B1852 10.101 22.476 -59.198 1.00 0.00 C ATOM 39812 O3* U B1852 11.064 23.153 -58.061 1.00 0.00 O ATOM 39813 C2* U B1852 10.699 21.341 -60.023 1.00 0.00 C ATOM 39814 O2* U B1852 10.157 20.092 -59.628 1.00 0.00 O ATOM 39815 C1* U B1852 10.142 21.646 -61.413 1.00 0.00 C ATOM 39816 N1 U B1852 11.187 22.558 -62.417 1.00 0.00 N ATOM 39817 C2 U B1852 12.226 21.883 -63.012 1.00 0.00 C ATOM 39818 O2 U B1852 12.369 20.676 -62.924 1.00 0.00 O ATOM 39819 N3 U B1852 13.113 22.666 -63.726 1.00 0.00 N ATOM 39820 C4 U B1852 13.045 24.036 -63.889 1.00 0.00 C ATOM 39821 O4 U B1852 13.901 24.630 -64.552 1.00 0.00 O ATOM 39822 C5 U B1852 11.924 24.658 -63.227 1.00 0.00 C ATOM 39823 C6 U B1852 11.049 23.918 -62.524 1.00 0.00 C ATOM 39824 P A B1853 10.849 24.014 -56.367 1.00 0.00 P ATOM 39825 O1P A B1853 10.165 22.847 -55.768 1.00 0.00 O ATOM 39826 O2P A B1853 10.130 25.304 -56.264 1.00 0.00 O ATOM 39827 O5* A B1853 12.445 24.841 -55.585 1.00 0.00 O ATOM 39828 C5* A B1853 13.566 25.675 -54.723 1.00 0.00 C ATOM 39829 C4* A B1853 13.915 27.265 -53.961 1.00 0.00 C ATOM 39830 O4* A B1853 14.354 28.382 -54.787 1.00 0.00 O ATOM 39831 C3* A B1853 13.817 27.869 -52.555 1.00 0.00 C ATOM 39832 O3* A B1853 12.552 28.597 -51.459 1.00 0.00 O ATOM 39833 C2* A B1853 14.990 28.843 -52.544 1.00 0.00 C ATOM 39834 O2* A B1853 16.218 28.157 -52.381 1.00 0.00 O ATOM 39835 C1* A B1853 14.961 29.375 -53.973 1.00 0.00 C ATOM 39836 N9 A B1853 14.014 30.963 -54.189 1.00 0.00 N ATOM 39837 C8 A B1853 12.681 31.131 -54.469 1.00 0.00 C ATOM 39838 N7 A B1853 12.289 32.370 -54.443 1.00 0.00 N ATOM 39839 C5 A B1853 13.436 33.078 -54.124 1.00 0.00 C ATOM 39840 C6 A B1853 13.684 34.447 -53.942 1.00 0.00 C ATOM 39841 N6 A B1853 12.741 35.393 -54.061 1.00 0.00 N ATOM 39842 N1 A B1853 14.942 34.814 -53.630 1.00 0.00 N ATOM 39843 C2 A B1853 15.876 33.869 -53.511 1.00 0.00 C ATOM 39844 N3 A B1853 15.760 32.570 -53.654 1.00 0.00 N ATOM 39845 C4 A B1853 14.492 32.227 -53.965 1.00 0.00 C ATOM 39846 P A B1854 12.307 29.379 -49.580 1.00 0.00 P ATOM 39847 O1P A B1854 11.403 28.457 -48.851 1.00 0.00 O ATOM 39848 O2P A B1854 11.895 30.800 -49.601 1.00 0.00 O ATOM 39849 O5* A B1854 14.153 29.483 -48.788 1.00 0.00 O ATOM 39850 C5* A B1854 15.969 29.483 -49.173 1.00 0.00 C ATOM 39851 C4* A B1854 16.949 29.648 -50.759 1.00 0.00 C ATOM 39852 O4* A B1854 17.898 28.547 -50.882 1.00 0.00 O ATOM 39853 C3* A B1854 17.603 30.784 -51.543 1.00 0.00 C ATOM 39854 O3* A B1854 17.300 31.301 -53.068 1.00 0.00 O ATOM 39855 C2* A B1854 19.086 30.576 -51.237 1.00 0.00 C ATOM 39856 O2* A B1854 19.399 31.026 -49.934 1.00 0.00 O ATOM 39857 C1* A B1854 19.183 29.052 -51.214 1.00 0.00 C ATOM 39858 N9 A B1854 19.669 28.351 -52.685 1.00 0.00 N ATOM 39859 C8 A B1854 19.267 27.151 -53.236 1.00 0.00 C ATOM 39860 N7 A B1854 19.951 26.801 -54.280 1.00 0.00 N ATOM 39861 C5 A B1854 20.868 27.829 -54.445 1.00 0.00 C ATOM 39862 C6 A B1854 21.879 28.048 -55.390 1.00 0.00 C ATOM 39863 N6 A B1854 22.155 27.205 -56.393 1.00 0.00 N ATOM 39864 N1 A B1854 22.605 29.175 -55.267 1.00 0.00 N ATOM 39865 C2 A B1854 22.329 30.011 -54.265 1.00 0.00 C ATOM 39866 N3 A B1854 21.410 29.910 -53.333 1.00 0.00 N ATOM 39867 C4 A B1854 20.700 28.774 -53.478 1.00 0.00 C ATOM 39868 P U B1855 18.178 32.701 -54.005 1.00 0.00 P ATOM 39869 O1P U B1855 19.528 32.147 -54.237 1.00 0.00 O ATOM 39870 O2P U B1855 18.131 34.031 -53.352 1.00 0.00 O ATOM 39871 O5* U B1855 17.003 32.951 -55.511 1.00 0.00 O ATOM 39872 C5* U B1855 15.870 33.583 -56.488 1.00 0.00 C ATOM 39873 C4* U B1855 14.259 32.867 -56.757 1.00 0.00 C ATOM 39874 O4* U B1855 14.648 31.492 -56.459 1.00 0.00 O ATOM 39875 C3* U B1855 13.054 32.711 -57.681 1.00 0.00 C ATOM 39876 O3* U B1855 11.356 32.937 -57.435 1.00 0.00 O ATOM 39877 C2* U B1855 13.424 31.478 -58.493 1.00 0.00 C ATOM 39878 O2* U B1855 14.391 31.800 -59.480 1.00 0.00 O ATOM 39879 C1* U B1855 14.130 30.620 -57.449 1.00 0.00 C ATOM 39880 N1 U B1855 13.117 29.448 -56.668 1.00 0.00 N ATOM 39881 C2 U B1855 13.457 28.125 -56.822 1.00 0.00 C ATOM 39882 O2 U B1855 14.355 27.758 -57.567 1.00 0.00 O ATOM 39883 N3 U B1855 12.718 27.223 -56.083 1.00 0.00 N ATOM 39884 C4 U B1855 11.683 27.532 -55.221 1.00 0.00 C ATOM 39885 O4 U B1855 11.092 26.639 -54.616 1.00 0.00 O ATOM 39886 C5 U B1855 11.398 28.943 -55.122 1.00 0.00 C ATOM 39887 C6 U B1855 12.105 29.841 -55.831 1.00 0.00 C ATOM 39888 P U B1856 9.739 33.411 -58.503 1.00 0.00 P ATOM 39889 O1P U B1856 10.069 33.097 -59.915 1.00 0.00 O ATOM 39890 O2P U B1856 9.513 34.841 -58.200 1.00 0.00 O ATOM 39891 O5* U B1856 7.923 32.582 -58.125 1.00 0.00 O ATOM 39892 C5* U B1856 6.498 31.754 -57.633 1.00 0.00 C ATOM 39893 C4* U B1856 5.515 30.134 -57.424 1.00 0.00 C ATOM 39894 O4* U B1856 5.134 30.247 -58.829 1.00 0.00 O ATOM 39895 C3* U B1856 5.527 28.622 -57.170 1.00 0.00 C ATOM 39896 O3* U B1856 5.560 27.533 -55.718 1.00 0.00 O ATOM 39897 C2* U B1856 4.363 28.147 -58.036 1.00 0.00 C ATOM 39898 O2* U B1856 3.122 28.442 -57.421 1.00 0.00 O ATOM 39899 C1* U B1856 4.484 29.060 -59.252 1.00 0.00 C ATOM 39900 N1 U B1856 5.364 28.402 -60.546 1.00 0.00 N ATOM 39901 C2 U B1856 5.837 27.121 -60.393 1.00 0.00 C ATOM 39902 O2 U B1856 5.551 26.416 -59.434 1.00 0.00 O ATOM 39903 N3 U B1856 6.663 26.664 -61.400 1.00 0.00 N ATOM 39904 C4 U B1856 7.051 27.370 -62.525 1.00 0.00 C ATOM 39905 O4 U B1856 7.794 26.856 -63.358 1.00 0.00 O ATOM 39906 C5 U B1856 6.503 28.705 -62.596 1.00 0.00 C ATOM 39907 C6 U B1856 5.697 29.167 -61.626 1.00 0.00 C ATOM 39908 P G B1857 5.884 25.597 -55.081 1.00 0.00 P ATOM 39909 O1P G B1857 5.672 24.740 -56.265 1.00 0.00 O ATOM 39910 O2P G B1857 4.929 25.408 -53.967 1.00 0.00 O ATOM 39911 O5* G B1857 7.634 24.932 -54.234 1.00 0.00 O ATOM 39912 C5* G B1857 9.133 24.688 -53.402 1.00 0.00 C ATOM 39913 C4* G B1857 10.581 23.564 -53.042 1.00 0.00 C ATOM 39914 O4* G B1857 10.392 22.253 -53.644 1.00 0.00 O ATOM 39915 C3* G B1857 12.083 23.820 -53.173 1.00 0.00 C ATOM 39916 O3* G B1857 13.262 24.809 -52.716 1.00 0.00 O ATOM 39917 C2* G B1857 12.666 22.424 -52.963 1.00 0.00 C ATOM 39918 O2* G B1857 12.640 22.072 -51.589 1.00 0.00 O ATOM 39919 C1* G B1857 11.624 21.548 -53.660 1.00 0.00 C ATOM 39920 N9 G B1857 12.012 21.134 -55.350 1.00 0.00 N ATOM 39921 C8 G B1857 11.159 20.843 -56.392 1.00 0.00 C ATOM 39922 N7 G B1857 11.768 20.637 -57.537 1.00 0.00 N ATOM 39923 C5 G B1857 13.117 20.800 -57.229 1.00 0.00 C ATOM 39924 C6 G B1857 14.265 20.704 -58.062 1.00 0.00 C ATOM 39925 O6 G B1857 14.330 20.448 -59.257 1.00 0.00 O ATOM 39926 N1 G B1857 15.439 20.947 -57.342 1.00 0.00 N ATOM 39927 C2 G B1857 15.507 21.243 -55.989 1.00 0.00 C ATOM 39928 N2 G B1857 16.727 21.446 -55.490 1.00 0.00 N ATOM 39929 N3 G B1857 14.428 21.336 -55.217 1.00 0.00 N ATOM 39930 C4 G B1857 13.278 21.102 -55.897 1.00 0.00 C ATOM 39931 P A B1858 15.097 24.280 -52.912 1.00 0.00 P ATOM 39932 O1P A B1858 15.105 22.997 -53.649 1.00 0.00 O ATOM 39933 O2P A B1858 15.744 24.262 -51.585 1.00 0.00 O ATOM 39934 O5* A B1858 16.050 25.463 -54.049 1.00 0.00 O ATOM 39935 C5* A B1858 17.467 25.451 -54.597 1.00 0.00 C ATOM 39936 C4* A B1858 18.040 26.332 -55.892 1.00 0.00 C ATOM 39937 O4* A B1858 17.848 27.777 -55.958 1.00 0.00 O ATOM 39938 C3* A B1858 19.183 26.068 -56.874 1.00 0.00 C ATOM 39939 O3* A B1858 19.702 24.694 -57.330 1.00 0.00 O ATOM 39940 C2* A B1858 18.904 27.091 -57.973 1.00 0.00 C ATOM 39941 O2* A B1858 17.834 26.662 -58.799 1.00 0.00 O ATOM 39942 C1* A B1858 18.394 28.281 -57.168 1.00 0.00 C ATOM 39943 N9 A B1858 19.580 29.437 -56.781 1.00 0.00 N ATOM 39944 C8 A B1858 19.560 30.378 -55.776 1.00 0.00 C ATOM 39945 N7 A B1858 20.525 31.242 -55.841 1.00 0.00 N ATOM 39946 C5 A B1858 21.246 30.857 -56.967 1.00 0.00 C ATOM 39947 C6 A B1858 22.392 31.377 -57.583 1.00 0.00 C ATOM 39948 N6 A B1858 23.056 32.450 -57.125 1.00 0.00 N ATOM 39949 N1 A B1858 22.842 30.751 -58.686 1.00 0.00 N ATOM 39950 C2 A B1858 22.181 29.686 -59.137 1.00 0.00 C ATOM 39951 N3 A B1858 21.102 29.112 -58.645 1.00 0.00 N ATOM 39952 C4 A B1858 20.674 29.757 -57.542 1.00 0.00 C ATOM 39953 P U B1859 19.843 24.321 -59.138 1.00 0.00 P ATOM 39954 O1P U B1859 18.933 25.132 -59.979 1.00 0.00 O ATOM 39955 O2P U B1859 19.768 22.855 -59.336 1.00 0.00 O ATOM 39956 O5* U B1859 21.513 25.015 -59.444 1.00 0.00 O ATOM 39957 C5* U B1859 22.447 24.076 -60.000 1.00 0.00 C ATOM 39958 C4* U B1859 23.319 23.568 -58.762 1.00 0.00 C ATOM 39959 O4* U B1859 22.912 22.717 -57.649 1.00 0.00 O ATOM 39960 C3* U B1859 24.635 24.184 -58.283 1.00 0.00 C ATOM 39961 O3* U B1859 24.676 25.531 -59.198 1.00 0.00 O ATOM 39962 C2* U B1859 24.376 24.380 -56.795 1.00 0.00 C ATOM 39963 O2* U B1859 23.535 25.501 -56.573 1.00 0.00 O ATOM 39964 C1* U B1859 23.558 23.141 -56.461 1.00 0.00 C ATOM 39965 N1 U B1859 24.465 21.833 -55.847 1.00 0.00 N ATOM 39966 C2 U B1859 25.132 22.040 -54.665 1.00 0.00 C ATOM 39967 O2 U B1859 25.179 23.126 -54.107 1.00 0.00 O ATOM 39968 N3 U B1859 25.756 20.930 -54.133 1.00 0.00 N ATOM 39969 C4 U B1859 25.773 19.660 -54.677 1.00 0.00 C ATOM 39970 O4 U B1859 26.366 18.744 -54.110 1.00 0.00 O ATOM 39971 C5 U B1859 25.049 19.545 -55.921 1.00 0.00 C ATOM 39972 C6 U B1859 24.432 20.612 -56.460 1.00 0.00 C ATOM 39973 P G B1860 25.841 25.547 -60.695 1.00 0.00 P ATOM 39974 O1P G B1860 26.517 24.301 -60.275 1.00 0.00 O ATOM 39975 O2P G B1860 26.708 26.732 -60.858 1.00 0.00 O ATOM 39976 O5* G B1860 25.020 25.288 -62.046 1.00 0.00 O ATOM 39977 C5* G B1860 25.079 23.986 -62.658 1.00 0.00 C ATOM 39978 C4* G B1860 24.137 23.929 -63.844 1.00 0.00 C ATOM 39979 O4* G B1860 22.765 24.005 -63.359 1.00 0.00 O ATOM 39980 C3* G B1860 24.241 25.091 -64.833 1.00 0.00 C ATOM 39981 O3* G B1860 25.258 24.880 -65.764 1.00 0.00 O ATOM 39982 C2* G B1860 22.853 25.096 -65.469 1.00 0.00 C ATOM 39983 O2* G B1860 22.727 24.041 -66.410 1.00 0.00 O ATOM 39984 C1* G B1860 21.971 24.735 -64.279 1.00 0.00 C ATOM 39985 N9 G B1860 21.415 25.920 -63.567 1.00 0.00 N ATOM 39986 C8 G B1860 21.774 26.451 -62.348 1.00 0.00 C ATOM 39987 N7 G B1860 21.082 27.509 -62.000 1.00 0.00 N ATOM 39988 C5 G B1860 20.199 27.691 -63.065 1.00 0.00 C ATOM 39989 C6 G B1860 19.198 28.678 -63.263 1.00 0.00 C ATOM 39990 O6 G B1860 18.879 29.609 -62.532 1.00 0.00 O ATOM 39991 N1 G B1860 18.535 28.494 -64.485 1.00 0.00 N ATOM 39992 C2 G B1860 18.801 27.488 -65.394 1.00 0.00 C ATOM 39993 N2 G B1860 18.055 27.483 -66.501 1.00 0.00 N ATOM 39994 N3 G B1860 19.741 26.562 -65.206 1.00 0.00 N ATOM 39995 C4 G B1860 20.395 26.727 -64.027 1.00 0.00 C ATOM 39996 P G B1861 26.089 26.170 -66.321 1.00 0.00 P ATOM 39997 O1P G B1861 27.333 25.725 -66.992 1.00 0.00 O ATOM 39998 O2P G B1861 26.263 27.156 -65.232 1.00 0.00 O ATOM 39999 O5* G B1861 25.063 26.740 -67.410 1.00 0.00 O ATOM 40000 C5* G B1861 24.682 25.904 -68.516 1.00 0.00 C ATOM 40001 C4* G B1861 23.616 26.592 -69.345 1.00 0.00 C ATOM 40002 O4* G B1861 22.393 26.679 -68.561 1.00 0.00 O ATOM 40003 C3* G B1861 23.909 28.044 -69.732 1.00 0.00 C ATOM 40004 O3* G B1861 24.697 28.117 -70.876 1.00 0.00 O ATOM 40005 C2* G B1861 22.505 28.603 -69.948 1.00 0.00 C ATOM 40006 O2* G B1861 21.974 28.171 -71.188 1.00 0.00 O ATOM 40007 C1* G B1861 21.718 27.890 -68.854 1.00 0.00 C ATOM 40008 N9 G B1861 21.605 28.673 -67.591 1.00 0.00 N ATOM 40009 C8 G B1861 22.250 28.482 -66.390 1.00 0.00 C ATOM 40010 N7 G B1861 21.927 29.355 -65.465 1.00 0.00 N ATOM 40011 C5 G B1861 20.999 30.180 -66.101 1.00 0.00 C ATOM 40012 C6 G B1861 20.292 31.306 -65.608 1.00 0.00 C ATOM 40013 O6 G B1861 20.338 31.818 -64.493 1.00 0.00 O ATOM 40014 N1 G B1861 19.452 31.850 -66.588 1.00 0.00 N ATOM 40015 C2 G B1861 19.313 31.370 -67.875 1.00 0.00 C ATOM 40016 N2 G B1861 18.458 32.033 -68.659 1.00 0.00 N ATOM 40017 N3 G B1861 19.977 30.314 -68.336 1.00 0.00 N ATOM 40018 C4 G B1861 20.798 29.772 -67.398 1.00 0.00 C ATOM 40019 P G B1862 25.775 29.340 -71.009 1.00 0.00 P ATOM 40020 O1P G B1862 26.750 29.048 -72.083 1.00 0.00 O ATOM 40021 O2P G B1862 26.349 29.635 -69.680 1.00 0.00 O ATOM 40022 O5* G B1862 24.814 30.538 -71.463 1.00 0.00 O ATOM 40023 C5* G B1862 24.079 30.415 -72.695 1.00 0.00 C ATOM 40024 C4* G B1862 23.148 31.597 -72.861 1.00 0.00 C ATOM 40025 O4* G B1862 22.104 31.523 -71.846 1.00 0.00 O ATOM 40026 C3* G B1862 23.774 32.976 -72.644 1.00 0.00 C ATOM 40027 O3* G B1862 24.399 33.440 -73.798 1.00 0.00 O ATOM 40028 C2* G B1862 22.563 33.819 -72.250 1.00 0.00 C ATOM 40029 O2* G B1862 21.780 34.136 -73.388 1.00 0.00 O ATOM 40030 C1* G B1862 21.758 32.830 -71.416 1.00 0.00 C ATOM 40031 N9 G B1862 22.027 32.921 -69.953 1.00 0.00 N ATOM 40032 C8 G B1862 22.745 32.065 -69.145 1.00 0.00 C ATOM 40033 N7 G B1862 22.794 32.435 -67.889 1.00 0.00 N ATOM 40034 C5 G B1862 22.057 33.620 -67.861 1.00 0.00 C ATOM 40035 C6 G B1862 21.758 34.482 -66.778 1.00 0.00 C ATOM 40036 O6 G B1862 22.083 34.381 -65.597 1.00 0.00 O ATOM 40037 N1 G B1862 20.977 35.572 -67.194 1.00 0.00 N ATOM 40038 C2 G B1862 20.547 35.798 -68.486 1.00 0.00 C ATOM 40039 N2 G B1862 19.815 36.896 -68.676 1.00 0.00 N ATOM 40040 N3 G B1862 20.831 34.986 -69.503 1.00 0.00 N ATOM 40041 C4 G B1862 21.584 33.923 -69.116 1.00 0.00 C ATOM 40042 P G B1863 25.744 34.357 -73.647 1.00 0.00 P ATOM 40043 O1P G B1863 26.456 34.437 -74.942 1.00 0.00 O ATOM 40044 O2P G B1863 26.546 33.871 -72.502 1.00 0.00 O ATOM 40045 O5* G B1863 25.100 35.778 -73.294 1.00 0.00 O ATOM 40046 C5* G B1863 24.209 36.395 -74.241 1.00 0.00 C ATOM 40047 C4* G B1863 23.622 37.661 -73.649 1.00 0.00 C ATOM 40048 O4* G B1863 22.741 37.307 -72.548 1.00 0.00 O ATOM 40049 C3* G B1863 24.626 38.627 -73.020 1.00 0.00 C ATOM 40050 O3* G B1863 25.201 39.462 -73.976 1.00 0.00 O ATOM 40051 C2* G B1863 23.755 39.390 -72.023 1.00 0.00 C ATOM 40052 O2* G B1863 22.948 40.344 -72.688 1.00 0.00 O ATOM 40053 C1* G B1863 22.824 38.288 -71.529 1.00 0.00 C ATOM 40054 N9 G B1863 23.294 37.620 -70.281 1.00 0.00 N ATOM 40055 C8 G B1863 23.847 36.369 -70.122 1.00 0.00 C ATOM 40056 N7 G B1863 24.159 36.079 -68.882 1.00 0.00 N ATOM 40057 C5 G B1863 23.783 37.219 -68.169 1.00 0.00 C ATOM 40058 C6 G B1863 23.874 37.503 -66.784 1.00 0.00 C ATOM 40059 O6 G B1863 24.308 36.793 -65.879 1.00 0.00 O ATOM 40060 N1 G B1863 23.377 38.780 -66.487 1.00 0.00 N ATOM 40061 C2 G B1863 22.863 39.667 -67.411 1.00 0.00 C ATOM 40062 N2 G B1863 22.441 40.837 -66.927 1.00 0.00 N ATOM 40063 N3 G B1863 22.780 39.403 -68.711 1.00 0.00 N ATOM 40064 C4 G B1863 23.255 38.166 -69.017 1.00 0.00 C ATOM 40065 P U B1864 26.754 39.929 -73.774 1.00 0.00 P ATOM 40066 O1P U B1864 27.288 40.487 -75.038 1.00 0.00 O ATOM 40067 O2P U B1864 27.531 38.820 -73.181 1.00 0.00 O ATOM 40068 O5* U B1864 26.577 41.103 -72.702 1.00 0.00 O ATOM 40069 C5* U B1864 25.774 42.249 -73.043 1.00 0.00 C ATOM 40070 C4* U B1864 25.643 43.166 -71.845 1.00 0.00 C ATOM 40071 O4* U B1864 24.843 42.496 -70.823 1.00 0.00 O ATOM 40072 C3* U B1864 26.944 43.512 -71.123 1.00 0.00 C ATOM 40073 O3* U B1864 27.598 44.576 -71.735 1.00 0.00 O ATOM 40074 C2* U B1864 26.451 43.850 -69.717 1.00 0.00 C ATOM 40075 O2* U B1864 25.859 45.139 -69.691 1.00 0.00 O ATOM 40076 C1* U B1864 25.323 42.841 -69.535 1.00 0.00 C ATOM 40077 N1 U B1864 25.749 41.587 -68.852 1.00 0.00 N ATOM 40078 C2 U B1864 25.980 41.658 -67.501 1.00 0.00 C ATOM 40079 O2 U B1864 25.848 42.685 -66.859 1.00 0.00 O ATOM 40080 N3 U B1864 26.372 40.475 -66.903 1.00 0.00 N ATOM 40081 C4 U B1864 26.548 39.259 -67.528 1.00 0.00 C ATOM 40082 O4 U B1864 26.902 38.269 -66.888 1.00 0.00 O ATOM 40083 C5 U B1864 26.284 39.284 -68.948 1.00 0.00 C ATOM 40084 C6 U B1864 25.901 40.421 -69.553 1.00 0.00 C ATOM 40085 P U B1865 29.233 44.601 -71.733 1.00 0.00 P ATOM 40086 O1P U B1865 29.731 45.580 -72.722 1.00 0.00 O ATOM 40087 O2P U B1865 29.744 43.218 -71.883 1.00 0.00 O ATOM 40088 O5* U B1865 29.524 45.128 -70.253 1.00 0.00 O ATOM 40089 C5* U B1865 29.029 46.423 -69.864 1.00 0.00 C ATOM 40090 C4* U B1865 29.309 46.665 -68.394 1.00 0.00 C ATOM 40091 O4* U B1865 28.497 45.751 -67.602 1.00 0.00 O ATOM 40092 C3* U B1865 30.739 46.380 -67.933 1.00 0.00 C ATOM 40093 O3* U B1865 31.580 47.466 -68.164 1.00 0.00 O ATOM 40094 C2* U B1865 30.545 46.093 -66.446 1.00 0.00 C ATOM 40095 O2* U B1865 30.339 47.296 -65.723 1.00 0.00 O ATOM 40096 C1* U B1865 29.215 45.344 -66.449 1.00 0.00 C ATOM 40097 N1 U B1865 29.363 43.863 -66.497 1.00 0.00 N ATOM 40098 C2 U B1865 29.779 43.237 -65.346 1.00 0.00 C ATOM 40099 O2 U B1865 30.019 43.842 -64.313 1.00 0.00 O ATOM 40100 N3 U B1865 29.901 41.866 -65.427 1.00 0.00 N ATOM 40101 C4 U B1865 29.655 41.086 -66.539 1.00 0.00 C ATOM 40102 O4 U B1865 29.802 39.862 -66.492 1.00 0.00 O ATOM 40103 C5 U B1865 29.229 41.832 -67.699 1.00 0.00 C ATOM 40104 C6 U B1865 29.097 43.166 -67.646 1.00 0.00 C ATOM 40105 P A B1866 32.767 47.162 -69.735 1.00 0.00 P ATOM 40106 O1P A B1866 33.776 48.219 -69.969 1.00 0.00 O ATOM 40107 O2P A B1866 33.217 46.024 -68.900 1.00 0.00 O ATOM 40108 O5* A B1866 32.723 45.453 -70.762 1.00 0.00 O ATOM 40109 C5* A B1866 33.339 44.243 -69.902 1.00 0.00 C ATOM 40110 C4* A B1866 34.847 44.194 -68.903 1.00 0.00 C ATOM 40111 O4* A B1866 35.446 43.170 -69.747 1.00 0.00 O ATOM 40112 C3* A B1866 35.835 45.361 -68.981 1.00 0.00 C ATOM 40113 O3* A B1866 35.987 46.311 -67.644 1.00 0.00 O ATOM 40114 C2* A B1866 37.178 44.639 -69.048 1.00 0.00 C ATOM 40115 O2* A B1866 37.552 44.154 -67.771 1.00 0.00 O ATOM 40116 C1* A B1866 36.834 43.422 -69.903 1.00 0.00 C ATOM 40117 N9 A B1866 37.156 43.602 -71.541 1.00 0.00 N ATOM 40118 C8 A B1866 38.360 43.473 -72.193 1.00 0.00 C ATOM 40119 N7 A B1866 38.261 43.510 -73.490 1.00 0.00 N ATOM 40120 C5 A B1866 36.901 43.663 -73.719 1.00 0.00 C ATOM 40121 C6 A B1866 36.146 43.761 -74.892 1.00 0.00 C ATOM 40122 N6 A B1866 36.683 43.730 -76.124 1.00 0.00 N ATOM 40123 N1 A B1866 34.812 43.909 -74.766 1.00 0.00 N ATOM 40124 C2 A B1866 34.289 43.948 -73.545 1.00 0.00 C ATOM 40125 N3 A B1866 34.892 43.862 -72.378 1.00 0.00 N ATOM 40126 C4 A B1866 36.223 43.720 -72.535 1.00 0.00 C ATOM 40127 P G B1867 34.579 46.658 -66.410 1.00 0.00 P ATOM 40128 O1P G B1867 33.619 45.761 -67.091 1.00 0.00 O ATOM 40129 O2P G B1867 34.152 48.066 -66.255 1.00 0.00 O ATOM 40130 O5* G B1867 34.966 46.051 -64.982 1.00 0.00 O ATOM 40131 C5* G B1867 34.693 46.822 -63.797 1.00 0.00 C ATOM 40132 C4* G B1867 35.021 46.008 -62.561 1.00 0.00 C ATOM 40133 O4* G B1867 34.076 44.904 -62.458 1.00 0.00 O ATOM 40134 C3* G B1867 36.391 45.328 -62.557 1.00 0.00 C ATOM 40135 O3* G B1867 37.392 46.194 -62.127 1.00 0.00 O ATOM 40136 C2* G B1867 36.163 44.164 -61.594 1.00 0.00 C ATOM 40137 O2* G B1867 36.161 44.614 -60.250 1.00 0.00 O ATOM 40138 C1* G B1867 34.730 43.761 -61.928 1.00 0.00 C ATOM 40139 N9 G B1867 34.633 42.668 -62.934 1.00 0.00 N ATOM 40140 C8 G B1867 34.271 42.735 -64.262 1.00 0.00 C ATOM 40141 N7 G B1867 34.288 41.579 -64.881 1.00 0.00 N ATOM 40142 C5 G B1867 34.695 40.682 -63.893 1.00 0.00 C ATOM 40143 C6 G B1867 34.900 39.281 -63.963 1.00 0.00 C ATOM 40144 O6 G B1867 34.765 38.528 -64.923 1.00 0.00 O ATOM 40145 N1 G B1867 35.316 38.762 -62.727 1.00 0.00 N ATOM 40146 C2 G B1867 35.506 39.504 -61.577 1.00 0.00 C ATOM 40147 N2 G B1867 35.903 38.824 -60.499 1.00 0.00 N ATOM 40148 N3 G B1867 35.314 40.819 -61.514 1.00 0.00 N ATOM 40149 C4 G B1867 34.909 41.338 -62.704 1.00 0.00 C ATOM 40150 P C B1868 38.884 46.052 -62.772 1.00 0.00 P ATOM 40151 O1P C B1868 39.687 47.261 -62.476 1.00 0.00 O ATOM 40152 O2P C B1868 38.767 45.690 -64.204 1.00 0.00 O ATOM 40153 O5* C B1868 39.452 44.807 -61.946 1.00 0.00 O ATOM 40154 C5* C B1868 39.564 44.912 -60.514 1.00 0.00 C ATOM 40155 C4* C B1868 40.002 43.586 -59.927 1.00 0.00 C ATOM 40156 O4* C B1868 38.929 42.616 -60.106 1.00 0.00 O ATOM 40157 C3* C B1868 41.210 42.928 -60.598 1.00 0.00 C ATOM 40158 O3* C B1868 42.408 43.428 -60.097 1.00 0.00 O ATOM 40159 C2* C B1868 40.999 41.454 -60.263 1.00 0.00 C ATOM 40160 O2* C B1868 41.352 41.190 -58.914 1.00 0.00 O ATOM 40161 C1* C B1868 39.481 41.331 -60.354 1.00 0.00 C ATOM 40162 N1 C B1868 38.999 40.875 -61.688 1.00 0.00 N ATOM 40163 C2 C B1868 39.175 39.534 -62.019 1.00 0.00 C ATOM 40164 O2 C B1868 39.718 38.785 -61.200 1.00 0.00 O ATOM 40165 N3 C B1868 38.741 39.100 -63.230 1.00 0.00 N ATOM 40166 C4 C B1868 38.155 39.945 -64.089 1.00 0.00 C ATOM 40167 N4 C B1868 37.749 39.469 -65.257 1.00 0.00 N ATOM 40168 C5 C B1868 37.964 41.326 -63.769 1.00 0.00 C ATOM 40169 C6 C B1868 38.404 41.740 -62.553 1.00 0.00 C ATOM 40170 P G B1869 42.772 45.245 -60.091 1.00 0.00 P ATOM 40171 O1P G B1869 43.138 45.705 -58.731 1.00 0.00 O ATOM 40172 O2P G B1869 41.743 46.045 -60.789 1.00 0.00 O ATOM 40173 O5* G B1869 44.264 45.111 -61.131 1.00 0.00 O ATOM 40174 C5* G B1869 44.650 44.656 -62.410 1.00 0.00 C ATOM 40175 C4* G B1869 44.743 43.051 -62.375 1.00 0.00 C ATOM 40176 O4* G B1869 45.802 42.293 -61.719 1.00 0.00 O ATOM 40177 C3* G B1869 44.050 42.019 -63.264 1.00 0.00 C ATOM 40178 O3* G B1869 43.166 42.832 -64.346 1.00 0.00 O ATOM 40179 C2* G B1869 45.222 41.153 -63.718 1.00 0.00 C ATOM 40180 O2* G B1869 45.972 41.812 -64.729 1.00 0.00 O ATOM 40181 C1* G B1869 46.090 41.122 -62.464 1.00 0.00 C ATOM 40182 N9 G B1869 45.833 39.740 -61.434 1.00 0.00 N ATOM 40183 C8 G B1869 46.455 39.414 -60.252 1.00 0.00 C ATOM 40184 N7 G B1869 46.087 38.254 -59.760 1.00 0.00 N ATOM 40185 C5 G B1869 45.155 37.783 -60.687 1.00 0.00 C ATOM 40186 C6 G B1869 44.409 36.577 -60.701 1.00 0.00 C ATOM 40187 O6 G B1869 44.415 35.655 -59.885 1.00 0.00 O ATOM 40188 N1 G B1869 43.580 36.500 -61.829 1.00 0.00 N ATOM 40189 C2 G B1869 43.485 37.461 -62.812 1.00 0.00 C ATOM 40190 N2 G B1869 42.633 37.201 -63.807 1.00 0.00 N ATOM 40191 N3 G B1869 44.185 38.592 -62.800 1.00 0.00 N ATOM 40192 C4 G B1869 44.994 38.685 -61.713 1.00 0.00 C ATOM 40193 P C B1870 41.369 42.403 -64.748 1.00 0.00 P ATOM 40194 O1P C B1870 40.503 43.408 -64.092 1.00 0.00 O ATOM 40195 O2P C B1870 41.213 41.011 -64.280 1.00 0.00 O ATOM 40196 O5* C B1870 40.908 42.388 -66.596 1.00 0.00 O ATOM 40197 C5* C B1870 39.959 41.893 -67.704 1.00 0.00 C ATOM 40198 C4* C B1870 40.315 41.135 -69.191 1.00 0.00 C ATOM 40199 O4* C B1870 41.745 41.011 -69.459 1.00 0.00 O ATOM 40200 C3* C B1870 39.750 39.771 -69.581 1.00 0.00 C ATOM 40201 O3* C B1870 38.242 39.762 -69.925 1.00 0.00 O ATOM 40202 C2* C B1870 40.612 39.399 -70.787 1.00 0.00 C ATOM 40203 O2* C B1870 40.208 40.123 -71.940 1.00 0.00 O ATOM 40204 C1* C B1870 41.972 39.952 -70.374 1.00 0.00 C ATOM 40205 N1 C B1870 43.019 38.802 -69.624 1.00 0.00 N ATOM 40206 C2 C B1870 44.067 38.290 -70.383 1.00 0.00 C ATOM 40207 O2 C B1870 44.205 38.678 -71.549 1.00 0.00 O ATOM 40208 N3 C B1870 44.905 37.388 -69.811 1.00 0.00 N ATOM 40209 C4 C B1870 44.727 37.000 -68.542 1.00 0.00 C ATOM 40210 N4 C B1870 45.572 36.118 -68.031 1.00 0.00 N ATOM 40211 C5 C B1870 43.652 37.511 -67.747 1.00 0.00 C ATOM 40212 C6 C B1870 42.822 38.410 -68.337 1.00 0.00 C ATOM 40213 P A B1871 37.316 38.222 -69.558 1.00 0.00 P ATOM 40214 O1P A B1871 35.868 38.494 -69.393 1.00 0.00 O ATOM 40215 O2P A B1871 37.960 37.481 -68.454 1.00 0.00 O ATOM 40216 O5* A B1871 37.639 37.476 -71.196 1.00 0.00 O ATOM 40217 C5* A B1871 37.116 37.058 -72.485 1.00 0.00 C ATOM 40218 C4* A B1871 38.162 36.254 -73.464 1.00 0.00 C ATOM 40219 O4* A B1871 39.505 36.820 -73.509 1.00 0.00 O ATOM 40220 C3* A B1871 38.397 34.751 -73.323 1.00 0.00 C ATOM 40221 O3* A B1871 37.249 33.784 -73.533 1.00 0.00 O ATOM 40222 C2* A B1871 39.643 34.543 -74.184 1.00 0.00 C ATOM 40223 O2* A B1871 39.313 34.568 -75.560 1.00 0.00 O ATOM 40224 C1* A B1871 40.435 35.816 -73.892 1.00 0.00 C ATOM 40225 N9 A B1871 41.568 35.666 -72.685 1.00 0.00 N ATOM 40226 C8 A B1871 41.988 36.619 -71.785 1.00 0.00 C ATOM 40227 N7 A B1871 42.751 36.153 -70.845 1.00 0.00 N ATOM 40228 C5 A B1871 42.850 34.801 -71.133 1.00 0.00 C ATOM 40229 C6 A B1871 43.531 33.742 -70.504 1.00 0.00 C ATOM 40230 N6 A B1871 44.271 33.898 -69.398 1.00 0.00 N ATOM 40231 N1 A B1871 43.417 32.521 -71.050 1.00 0.00 N ATOM 40232 C2 A B1871 42.683 32.376 -72.153 1.00 0.00 C ATOM 40233 N3 A B1871 42.004 33.282 -72.824 1.00 0.00 N ATOM 40234 C4 A B1871 42.133 34.498 -72.254 1.00 0.00 C ATOM 40235 P A B1872 36.356 33.365 -71.995 1.00 0.00 P ATOM 40236 O1P A B1872 34.921 33.188 -72.312 1.00 0.00 O ATOM 40237 O2P A B1872 36.658 34.266 -70.864 1.00 0.00 O ATOM 40238 O5* A B1872 37.241 31.784 -71.821 1.00 0.00 O ATOM 40239 C5* A B1872 37.931 30.555 -71.526 1.00 0.00 C ATOM 40240 C4* A B1872 39.359 30.738 -70.755 1.00 0.00 C ATOM 40241 O4* A B1872 40.036 32.006 -70.983 1.00 0.00 O ATOM 40242 C3* A B1872 39.585 30.463 -69.269 1.00 0.00 C ATOM 40243 O3* A B1872 39.342 29.012 -68.870 1.00 0.00 O ATOM 40244 C2* A B1872 40.999 31.003 -69.055 1.00 0.00 C ATOM 40245 O2* A B1872 41.962 30.104 -69.575 1.00 0.00 O ATOM 40246 C1* A B1872 40.998 32.229 -69.961 1.00 0.00 C ATOM 40247 N9 A B1872 40.624 33.670 -69.190 1.00 0.00 N ATOM 40248 C8 A B1872 39.683 34.609 -69.546 1.00 0.00 C ATOM 40249 N7 A B1872 39.756 35.714 -68.861 1.00 0.00 N ATOM 40250 C5 A B1872 40.814 35.499 -67.992 1.00 0.00 C ATOM 40251 C6 A B1872 41.401 36.300 -66.998 1.00 0.00 C ATOM 40252 N6 A B1872 40.978 37.538 -66.699 1.00 0.00 N ATOM 40253 N1 A B1872 42.439 35.784 -66.316 1.00 0.00 N ATOM 40254 C2 A B1872 42.852 34.550 -66.614 1.00 0.00 C ATOM 40255 N3 A B1872 42.385 33.712 -67.518 1.00 0.00 N ATOM 40256 C4 A B1872 41.349 34.259 -68.184 1.00 0.00 C ATOM 40257 P G B1873 37.603 28.987 -68.420 1.00 0.00 P ATOM 40258 O1P G B1873 36.912 27.679 -68.434 1.00 0.00 O ATOM 40259 O2P G B1873 36.883 30.101 -69.076 1.00 0.00 O ATOM 40260 O5* G B1873 37.968 29.389 -66.915 1.00 0.00 O ATOM 40261 C5* G B1873 38.750 28.482 -66.120 1.00 0.00 C ATOM 40262 C4* G B1873 39.083 29.114 -64.783 1.00 0.00 C ATOM 40263 O4* G B1873 39.995 30.229 -65.004 1.00 0.00 O ATOM 40264 C3* G B1873 37.907 29.744 -64.035 1.00 0.00 C ATOM 40265 O3* G B1873 37.204 28.794 -63.294 1.00 0.00 O ATOM 40266 C2* G B1873 38.605 30.778 -63.156 1.00 0.00 C ATOM 40267 O2* G B1873 39.234 30.156 -62.050 1.00 0.00 O ATOM 40268 C1* G B1873 39.714 31.268 -64.082 1.00 0.00 C ATOM 40269 N9 G B1873 39.351 32.488 -64.857 1.00 0.00 N ATOM 40270 C8 G B1873 39.035 32.605 -66.194 1.00 0.00 C ATOM 40271 N7 G B1873 38.759 33.830 -66.571 1.00 0.00 N ATOM 40272 C5 G B1873 38.905 34.577 -65.403 1.00 0.00 C ATOM 40273 C6 G B1873 38.740 35.967 -65.180 1.00 0.00 C ATOM 40274 O6 G B1873 38.424 36.843 -65.982 1.00 0.00 O ATOM 40275 N1 G B1873 38.987 36.306 -63.842 1.00 0.00 N ATOM 40276 C2 G B1873 39.345 35.416 -62.847 1.00 0.00 C ATOM 40277 N2 G B1873 39.535 35.936 -61.635 1.00 0.00 N ATOM 40278 N3 G B1873 39.501 34.111 -63.056 1.00 0.00 N ATOM 40279 C4 G B1873 39.265 33.765 -64.352 1.00 0.00 C ATOM 40280 P C B1874 35.592 28.969 -63.122 1.00 0.00 P ATOM 40281 O1P C B1874 34.985 27.708 -62.639 1.00 0.00 O ATOM 40282 O2P C B1874 35.019 29.519 -64.373 1.00 0.00 O ATOM 40283 O5* C B1874 35.530 30.076 -61.968 1.00 0.00 O ATOM 40284 C5* C B1874 36.116 29.781 -60.686 1.00 0.00 C ATOM 40285 C4* C B1874 36.055 31.005 -59.792 1.00 0.00 C ATOM 40286 O4* C B1874 36.944 32.026 -60.334 1.00 0.00 O ATOM 40287 C3* C B1874 34.698 31.704 -59.710 1.00 0.00 C ATOM 40288 O3* C B1874 33.869 31.104 -58.767 1.00 0.00 O ATOM 40289 C2* C B1874 35.093 33.127 -59.329 1.00 0.00 C ATOM 40290 O2* C B1874 35.438 33.202 -57.954 1.00 0.00 O ATOM 40291 C1* C B1874 36.384 33.312 -60.120 1.00 0.00 C ATOM 40292 N1 C B1874 36.184 33.953 -61.449 1.00 0.00 N ATOM 40293 C2 C B1874 35.917 35.320 -61.476 1.00 0.00 C ATOM 40294 O2 C B1874 35.856 35.936 -60.407 1.00 0.00 O ATOM 40295 N3 C B1874 35.728 35.924 -62.679 1.00 0.00 N ATOM 40296 C4 C B1874 35.803 35.219 -63.815 1.00 0.00 C ATOM 40297 N4 C B1874 35.616 35.856 -64.959 1.00 0.00 N ATOM 40298 C5 C B1874 36.080 33.815 -63.808 1.00 0.00 C ATOM 40299 C6 C B1874 36.260 33.230 -62.597 1.00 0.00 C ATOM 40300 P G B1875 32.314 30.563 -59.685 1.00 0.00 P ATOM 40301 O1P G B1875 31.499 31.755 -60.019 1.00 0.00 O ATOM 40302 O2P G B1875 31.582 29.437 -59.069 1.00 0.00 O ATOM 40303 O5* G B1875 33.097 30.302 -61.347 1.00 0.00 O ATOM 40304 C5* G B1875 32.327 30.696 -62.542 1.00 0.00 C ATOM 40305 C4* G B1875 32.812 31.909 -63.554 1.00 0.00 C ATOM 40306 O4* G B1875 33.910 31.507 -64.420 1.00 0.00 O ATOM 40307 C3* G B1875 31.814 32.569 -64.506 1.00 0.00 C ATOM 40308 O3* G B1875 30.747 33.487 -63.850 1.00 0.00 O ATOM 40309 C2* G B1875 32.735 33.263 -65.506 1.00 0.00 C ATOM 40310 O2* G B1875 33.281 34.444 -64.944 1.00 0.00 O ATOM 40311 C1* G B1875 33.876 32.257 -65.623 1.00 0.00 C ATOM 40312 N9 G B1875 33.735 31.169 -66.931 1.00 0.00 N ATOM 40313 C8 G B1875 33.884 29.800 -66.947 1.00 0.00 C ATOM 40314 N7 G B1875 33.667 29.251 -68.119 1.00 0.00 N ATOM 40315 C5 G B1875 33.351 30.333 -68.938 1.00 0.00 C ATOM 40316 C6 G B1875 33.023 30.371 -70.319 1.00 0.00 C ATOM 40317 O6 G B1875 32.939 29.436 -71.113 1.00 0.00 O ATOM 40318 N1 G B1875 32.772 31.679 -70.751 1.00 0.00 N ATOM 40319 C2 G B1875 32.839 32.805 -69.954 1.00 0.00 C ATOM 40320 N2 G B1875 32.562 33.968 -70.558 1.00 0.00 N ATOM 40321 N3 G B1875 33.145 32.773 -68.661 1.00 0.00 N ATOM 40322 C4 G B1875 33.390 31.507 -68.226 1.00 0.00 C ATOM 40323 P A B1876 31.324 34.561 -62.475 1.00 0.00 P ATOM 40324 O1P A B1876 32.256 35.580 -63.014 1.00 0.00 O ATOM 40325 O2P A B1876 31.832 33.758 -61.340 1.00 0.00 O ATOM 40326 O5* A B1876 29.721 35.372 -62.103 1.00 0.00 O ATOM 40327 C5* A B1876 28.980 35.650 -60.883 1.00 0.00 C ATOM 40328 C4* A B1876 28.480 34.242 -60.192 1.00 0.00 C ATOM 40329 O4* A B1876 27.768 33.457 -61.195 1.00 0.00 O ATOM 40330 C3* A B1876 29.541 33.283 -59.661 1.00 0.00 C ATOM 40331 O3* A B1876 30.980 33.715 -59.237 1.00 0.00 O ATOM 40332 C2* A B1876 28.810 31.947 -59.685 1.00 0.00 C ATOM 40333 O2* A B1876 27.897 31.850 -58.605 1.00 0.00 O ATOM 40334 C1* A B1876 27.979 32.071 -60.957 1.00 0.00 C ATOM 40335 N9 A B1876 28.697 31.392 -62.345 1.00 0.00 N ATOM 40336 C8 A B1876 29.338 30.181 -62.469 1.00 0.00 C ATOM 40337 N7 A B1876 29.619 29.854 -63.693 1.00 0.00 N ATOM 40338 C5 A B1876 29.139 30.920 -64.442 1.00 0.00 C ATOM 40339 C6 A B1876 29.133 31.182 -65.823 1.00 0.00 C ATOM 40340 N6 A B1876 29.651 30.345 -66.732 1.00 0.00 N ATOM 40341 N1 A B1876 28.575 32.332 -66.231 1.00 0.00 N ATOM 40342 C2 A B1876 28.062 33.158 -65.322 1.00 0.00 C ATOM 40343 N3 A B1876 28.009 33.022 -64.012 1.00 0.00 N ATOM 40344 C4 A B1876 28.576 31.859 -63.627 1.00 0.00 C ATOM 40345 P A B1877 31.930 33.657 -57.673 1.00 0.00 P ATOM 40346 O1P A B1877 33.383 33.467 -57.889 1.00 0.00 O ATOM 40347 O2P A B1877 31.342 32.912 -56.535 1.00 0.00 O ATOM 40348 O5* A B1877 31.608 35.220 -57.522 1.00 0.00 O ATOM 40349 C5* A B1877 32.077 35.920 -56.354 1.00 0.00 C ATOM 40350 C4* A B1877 31.774 37.397 -56.479 1.00 0.00 C ATOM 40351 O4* A B1877 32.592 37.957 -57.549 1.00 0.00 O ATOM 40352 C3* A B1877 30.344 37.754 -56.890 1.00 0.00 C ATOM 40353 O3* A B1877 29.492 37.779 -55.788 1.00 0.00 O ATOM 40354 C2* A B1877 30.525 39.130 -57.524 1.00 0.00 C ATOM 40355 O2* A B1877 30.704 40.124 -56.530 1.00 0.00 O ATOM 40356 C1* A B1877 31.866 38.966 -58.230 1.00 0.00 C ATOM 40357 N9 A B1877 31.744 38.558 -59.659 1.00 0.00 N ATOM 40358 C8 A B1877 31.993 37.331 -60.236 1.00 0.00 C ATOM 40359 N7 A B1877 31.787 37.302 -61.517 1.00 0.00 N ATOM 40360 C5 A B1877 31.377 38.589 -61.821 1.00 0.00 C ATOM 40361 C6 A B1877 31.003 39.203 -63.026 1.00 0.00 C ATOM 40362 N6 A B1877 30.985 38.566 -64.207 1.00 0.00 N ATOM 40363 N1 A B1877 30.647 40.501 -62.980 1.00 0.00 N ATOM 40364 C2 A B1877 30.667 41.127 -61.805 1.00 0.00 C ATOM 40365 N3 A B1877 30.994 40.661 -60.619 1.00 0.00 N ATOM 40366 C4 A B1877 31.346 39.360 -60.696 1.00 0.00 C ATOM 40367 P G B1878 27.939 37.313 -55.988 1.00 0.00 P ATOM 40368 O1P G B1878 27.309 37.056 -54.673 1.00 0.00 O ATOM 40369 O2P G B1878 27.880 36.194 -56.958 1.00 0.00 O ATOM 40370 O5* G B1878 27.311 38.630 -56.641 1.00 0.00 O ATOM 40371 C5* G B1878 27.346 39.864 -55.898 1.00 0.00 C ATOM 40372 C4* G B1878 26.817 40.999 -56.752 1.00 0.00 C ATOM 40373 O4* G B1878 27.750 41.245 -57.841 1.00 0.00 O ATOM 40374 C3* G B1878 25.487 40.735 -57.459 1.00 0.00 C ATOM 40375 O3* G B1878 24.403 40.997 -56.624 1.00 0.00 O ATOM 40376 C2* G B1878 25.560 41.696 -58.645 1.00 0.00 C ATOM 40377 O2* G B1878 25.305 43.026 -58.230 1.00 0.00 O ATOM 40378 C1* G B1878 27.038 41.618 -59.009 1.00 0.00 C ATOM 40379 N9 G B1878 27.340 40.618 -60.072 1.00 0.00 N ATOM 40380 C8 G B1878 27.941 39.384 -59.958 1.00 0.00 C ATOM 40381 N7 G B1878 28.063 38.745 -61.098 1.00 0.00 N ATOM 40382 C5 G B1878 27.504 39.619 -62.031 1.00 0.00 C ATOM 40383 C6 G B1878 27.347 39.480 -63.434 1.00 0.00 C ATOM 40384 O6 G B1878 27.674 38.543 -64.157 1.00 0.00 O ATOM 40385 N1 G B1878 26.726 40.604 -63.993 1.00 0.00 N ATOM 40386 C2 G B1878 26.310 41.722 -63.289 1.00 0.00 C ATOM 40387 N2 G B1878 25.741 42.690 -64.008 1.00 0.00 N ATOM 40388 N3 G B1878 26.459 41.848 -61.973 1.00 0.00 N ATOM 40389 C4 G B1878 27.059 40.764 -61.414 1.00 0.00 C ATOM 40390 P C B1879 23.058 40.082 -56.774 1.00 0.00 P ATOM 40391 O1P C B1879 22.185 40.254 -55.592 1.00 0.00 O ATOM 40392 O2P C B1879 23.441 38.689 -57.092 1.00 0.00 O ATOM 40393 O5* C B1879 22.375 40.763 -58.053 1.00 0.00 O ATOM 40394 C5* C B1879 22.002 42.152 -57.989 1.00 0.00 C ATOM 40395 C4* C B1879 21.494 42.615 -59.339 1.00 0.00 C ATOM 40396 O4* C B1879 22.603 42.615 -60.285 1.00 0.00 O ATOM 40397 C3* C B1879 20.448 41.718 -59.999 1.00 0.00 C ATOM 40398 O3* C B1879 19.164 42.003 -59.537 1.00 0.00 O ATOM 40399 C2* C B1879 20.626 42.054 -61.478 1.00 0.00 C ATOM 40400 O2* C B1879 20.039 43.305 -61.786 1.00 0.00 O ATOM 40401 C1* C B1879 22.138 42.237 -61.570 1.00 0.00 C ATOM 40402 N1 C B1879 22.867 41.004 -61.980 1.00 0.00 N ATOM 40403 C2 C B1879 22.785 40.616 -63.313 1.00 0.00 C ATOM 40404 O2 C B1879 22.117 41.300 -64.096 1.00 0.00 O ATOM 40405 N3 C B1879 23.441 39.493 -63.709 1.00 0.00 N ATOM 40406 C4 C B1879 24.155 38.776 -62.830 1.00 0.00 C ATOM 40407 N4 C B1879 24.777 37.693 -63.262 1.00 0.00 N ATOM 40408 C5 C B1879 24.253 39.160 -61.453 1.00 0.00 C ATOM 40409 C6 C B1879 23.587 40.282 -61.080 1.00 0.00 C ATOM 40410 P U B1880 18.087 40.782 -59.404 1.00 0.00 P ATOM 40411 O1P U B1880 16.939 41.200 -58.570 1.00 0.00 O ATOM 40412 O2P U B1880 18.788 39.553 -58.969 1.00 0.00 O ATOM 40413 O5* U B1880 17.619 40.630 -60.929 1.00 0.00 O ATOM 40414 C5* U B1880 16.996 41.748 -61.585 1.00 0.00 C ATOM 40415 C4* U B1880 16.754 41.428 -63.043 1.00 0.00 C ATOM 40416 O4* U B1880 18.037 41.325 -63.724 1.00 0.00 O ATOM 40417 C3* U B1880 16.078 40.083 -63.326 1.00 0.00 C ATOM 40418 O3* U B1880 14.692 40.177 -63.225 1.00 0.00 O ATOM 40419 C2* U B1880 16.544 39.785 -64.749 1.00 0.00 C ATOM 40420 O2* U B1880 15.831 40.568 -65.688 1.00 0.00 O ATOM 40421 C1* U B1880 17.974 40.320 -64.721 1.00 0.00 C ATOM 40422 N1 U B1880 18.993 39.284 -64.398 1.00 0.00 N ATOM 40423 C2 U B1880 19.295 38.372 -65.380 1.00 0.00 C ATOM 40424 O2 U B1880 18.767 38.383 -66.479 1.00 0.00 O ATOM 40425 N3 U B1880 20.245 37.428 -65.041 1.00 0.00 N ATOM 40426 C4 U B1880 20.904 37.322 -63.835 1.00 0.00 C ATOM 40427 O4 U B1880 21.734 36.432 -63.647 1.00 0.00 O ATOM 40428 C5 U B1880 20.519 38.323 -62.866 1.00 0.00 C ATOM 40429 C6 U B1880 19.598 39.253 -63.169 1.00 0.00 C ATOM 40430 P C B1881 13.858 38.886 -62.669 1.00 0.00 P ATOM 40431 O1P C B1881 12.487 39.290 -62.287 1.00 0.00 O ATOM 40432 O2P C B1881 14.644 38.210 -61.614 1.00 0.00 O ATOM 40433 O5* C B1881 13.809 37.972 -63.980 1.00 0.00 O ATOM 40434 C5* C B1881 13.166 38.482 -65.162 1.00 0.00 C ATOM 40435 C4* C B1881 13.346 37.509 -66.313 1.00 0.00 C ATOM 40436 O4* C B1881 14.752 37.482 -66.687 1.00 0.00 O ATOM 40437 C3* C B1881 13.019 36.049 -66.003 1.00 0.00 C ATOM 40438 O3* C B1881 11.657 35.789 -66.137 1.00 0.00 O ATOM 40439 C2* C B1881 13.862 35.306 -67.038 1.00 0.00 C ATOM 40440 O2* C B1881 13.264 35.380 -68.319 1.00 0.00 O ATOM 40441 C1* C B1881 15.120 36.170 -67.085 1.00 0.00 C ATOM 40442 N1 C B1881 16.204 35.699 -66.178 1.00 0.00 N ATOM 40443 C2 C B1881 16.913 34.563 -66.551 1.00 0.00 C ATOM 40444 O2 C B1881 16.618 33.996 -67.610 1.00 0.00 O ATOM 40445 N3 C B1881 17.906 34.116 -65.740 1.00 0.00 N ATOM 40446 C4 C B1881 18.195 34.759 -64.601 1.00 0.00 C ATOM 40447 N4 C B1881 19.172 34.284 -63.843 1.00 0.00 N ATOM 40448 C5 C B1881 17.476 35.933 -64.198 1.00 0.00 C ATOM 40449 C6 C B1881 16.488 36.360 -65.024 1.00 0.00 C ATOM 40450 P U B1882 10.966 34.691 -65.146 1.00 0.00 P ATOM 40451 O1P U B1882 9.492 34.823 -65.183 1.00 0.00 O ATOM 40452 O2P U B1882 11.586 34.779 -63.806 1.00 0.00 O ATOM 40453 O5* U B1882 11.402 33.326 -65.856 1.00 0.00 O ATOM 40454 C5* U B1882 10.982 33.078 -67.212 1.00 0.00 C ATOM 40455 C4* U B1882 11.611 31.799 -67.725 1.00 0.00 C ATOM 40456 O4* U B1882 13.048 31.999 -67.858 1.00 0.00 O ATOM 40457 C3* U B1882 11.492 30.584 -66.804 1.00 0.00 C ATOM 40458 O3* U B1882 10.275 29.929 -66.971 1.00 0.00 O ATOM 40459 C2* U B1882 12.682 29.734 -67.242 1.00 0.00 C ATOM 40460 O2* U B1882 12.407 29.081 -68.470 1.00 0.00 O ATOM 40461 C1* U B1882 13.732 30.801 -67.533 1.00 0.00 C ATOM 40462 N1 U B1882 14.634 31.084 -66.381 1.00 0.00 N ATOM 40463 C2 U B1882 15.591 30.143 -66.089 1.00 0.00 C ATOM 40464 O2 U B1882 15.723 29.113 -66.726 1.00 0.00 O ATOM 40465 N3 U B1882 16.406 30.441 -65.015 1.00 0.00 N ATOM 40466 C4 U B1882 16.347 31.573 -64.228 1.00 0.00 C ATOM 40467 O4 U B1882 17.132 31.729 -63.290 1.00 0.00 O ATOM 40468 C5 U B1882 15.308 32.501 -64.610 1.00 0.00 C ATOM 40469 C6 U B1882 14.501 32.236 -65.651 1.00 0.00 C ATOM 40470 P U B1883 8.802 30.395 -65.974 1.00 0.00 P ATOM 40471 O1P U B1883 7.588 29.594 -66.246 1.00 0.00 O ATOM 40472 O2P U B1883 8.623 31.864 -65.997 1.00 0.00 O ATOM 40473 O5* U B1883 9.591 29.704 -64.487 1.00 0.00 O ATOM 40474 C5* U B1883 10.991 29.751 -64.757 1.00 0.00 C ATOM 40475 C4* U B1883 12.036 28.570 -64.338 1.00 0.00 C ATOM 40476 O4* U B1883 11.929 27.321 -65.082 1.00 0.00 O ATOM 40477 C3* U B1883 13.501 28.976 -64.504 1.00 0.00 C ATOM 40478 O3* U B1883 13.914 30.077 -63.434 1.00 0.00 O ATOM 40479 C2* U B1883 14.212 27.621 -64.490 1.00 0.00 C ATOM 40480 O2* U B1883 14.295 27.117 -63.168 1.00 0.00 O ATOM 40481 C1* U B1883 13.217 26.742 -65.241 1.00 0.00 C ATOM 40482 N1 U B1883 13.523 26.582 -66.872 1.00 0.00 N ATOM 40483 C2 U B1883 14.833 26.407 -67.247 1.00 0.00 C ATOM 40484 O2 U B1883 15.756 26.440 -66.451 1.00 0.00 O ATOM 40485 N3 U B1883 15.043 26.184 -68.592 1.00 0.00 N ATOM 40486 C4 U B1883 14.074 26.125 -69.573 1.00 0.00 C ATOM 40487 O4 U B1883 14.380 25.917 -70.750 1.00 0.00 O ATOM 40488 C5 U B1883 12.729 26.322 -69.087 1.00 0.00 C ATOM 40489 C6 U B1883 12.493 26.539 -67.780 1.00 0.00 C ATOM 40490 P G B1884 12.915 31.546 -62.856 1.00 0.00 P ATOM 40491 O1P G B1884 12.807 32.637 -63.855 1.00 0.00 O ATOM 40492 O2P G B1884 13.377 31.954 -61.507 1.00 0.00 O ATOM 40493 O5* G B1884 11.328 30.669 -62.802 1.00 0.00 O ATOM 40494 C5* G B1884 11.058 29.273 -62.613 1.00 0.00 C ATOM 40495 C4* G B1884 12.019 28.792 -61.495 1.00 0.00 C ATOM 40496 O4* G B1884 13.174 27.909 -61.503 1.00 0.00 O ATOM 40497 C3* G B1884 12.427 29.918 -60.541 1.00 0.00 C ATOM 40498 O3* G B1884 10.983 30.632 -60.351 1.00 0.00 O ATOM 40499 C2* G B1884 13.242 29.177 -59.495 1.00 0.00 C ATOM 40500 O2* G B1884 12.391 28.465 -58.604 1.00 0.00 O ATOM 40501 C1* G B1884 13.963 28.136 -60.343 1.00 0.00 C ATOM 40502 N9 G B1884 15.455 28.561 -60.814 1.00 0.00 N ATOM 40503 C8 G B1884 16.170 28.141 -61.917 1.00 0.00 C ATOM 40504 N7 G B1884 17.413 28.555 -61.935 1.00 0.00 N ATOM 40505 C5 G B1884 17.533 29.303 -60.764 1.00 0.00 C ATOM 40506 C6 G B1884 18.641 30.005 -60.236 1.00 0.00 C ATOM 40507 O6 G B1884 19.777 30.119 -60.699 1.00 0.00 O ATOM 40508 N1 G B1884 18.323 30.630 -59.021 1.00 0.00 N ATOM 40509 C2 G B1884 17.091 30.582 -58.396 1.00 0.00 C ATOM 40510 N2 G B1884 16.990 31.246 -57.244 1.00 0.00 N ATOM 40511 N3 G B1884 16.049 29.926 -58.897 1.00 0.00 N ATOM 40512 C4 G B1884 16.340 29.312 -60.073 1.00 0.00 C ATOM 40513 P A B1885 9.253 30.168 -61.044 1.00 0.00 P ATOM 40514 O1P A B1885 9.007 30.993 -62.249 1.00 0.00 O ATOM 40515 O2P A B1885 8.253 30.291 -59.964 1.00 0.00 O ATOM 40516 O5* A B1885 9.306 28.326 -61.475 1.00 0.00 O ATOM 40517 C5* A B1885 9.167 26.813 -61.387 1.00 0.00 C ATOM 40518 C4* A B1885 9.840 26.156 -60.036 1.00 0.00 C ATOM 40519 O4* A B1885 10.366 24.822 -59.771 1.00 0.00 O ATOM 40520 C3* A B1885 11.038 27.076 -59.814 1.00 0.00 C ATOM 40521 O3* A B1885 10.139 28.410 -59.566 1.00 0.00 O ATOM 40522 C2* A B1885 11.759 26.388 -58.655 1.00 0.00 C ATOM 40523 O2* A B1885 11.092 26.643 -57.431 1.00 0.00 O ATOM 40524 C1* A B1885 11.544 24.923 -58.987 1.00 0.00 C ATOM 40525 N9 A B1885 12.823 24.191 -59.843 1.00 0.00 N ATOM 40526 C8 A B1885 12.835 22.978 -60.496 1.00 0.00 C ATOM 40527 N7 A B1885 13.997 22.636 -60.957 1.00 0.00 N ATOM 40528 C5 A B1885 14.823 23.691 -60.593 1.00 0.00 C ATOM 40529 C6 A B1885 16.194 23.941 -60.794 1.00 0.00 C ATOM 40530 N6 A B1885 17.007 23.095 -61.442 1.00 0.00 N ATOM 40531 N1 A B1885 16.696 25.084 -60.301 1.00 0.00 N ATOM 40532 C2 A B1885 15.880 25.920 -59.654 1.00 0.00 C ATOM 40533 N3 A B1885 14.592 25.794 -59.410 1.00 0.00 N ATOM 40534 C4 A B1885 14.112 24.644 -59.915 1.00 0.00 C ATOM 40535 P U B1886 10.075 29.563 -58.094 1.00 0.00 P ATOM 40536 O1P U B1886 11.351 30.311 -58.146 1.00 0.00 O ATOM 40537 O2P U B1886 9.873 28.713 -56.901 1.00 0.00 O ATOM 40538 O5* U B1886 9.032 31.080 -57.830 1.00 0.00 O ATOM 40539 C5* U B1886 9.483 31.913 -56.571 1.00 0.00 C ATOM 40540 C4* U B1886 8.390 31.605 -55.348 1.00 0.00 C ATOM 40541 O4* U B1886 7.594 30.752 -56.210 1.00 0.00 O ATOM 40542 C3* U B1886 8.787 30.690 -54.186 1.00 0.00 C ATOM 40543 O3* U B1886 8.910 31.589 -52.923 1.00 0.00 O ATOM 40544 C2* U B1886 7.543 29.819 -54.029 1.00 0.00 C ATOM 40545 O2* U B1886 6.514 30.538 -53.368 1.00 0.00 O ATOM 40546 C1* U B1886 7.103 29.644 -55.473 1.00 0.00 C ATOM 40547 N1 U B1886 7.650 28.246 -56.202 1.00 0.00 N ATOM 40548 C2 U B1886 7.792 27.135 -55.397 1.00 0.00 C ATOM 40549 O2 U B1886 7.670 27.178 -54.185 1.00 0.00 O ATOM 40550 N3 U B1886 8.089 25.958 -56.055 1.00 0.00 N ATOM 40551 C4 U B1886 8.249 25.801 -57.415 1.00 0.00 C ATOM 40552 O4 U B1886 8.514 24.693 -57.891 1.00 0.00 O ATOM 40553 C5 U B1886 8.080 27.018 -58.176 1.00 0.00 C ATOM 40554 C6 U B1886 7.795 28.177 -57.561 1.00 0.00 C ATOM 40555 P C B1887 10.487 31.315 -52.103 1.00 0.00 P ATOM 40556 O1P C B1887 11.376 32.496 -52.170 1.00 0.00 O ATOM 40557 O2P C B1887 11.070 30.044 -52.601 1.00 0.00 O ATOM 40558 O5* C B1887 9.949 31.247 -50.375 1.00 0.00 O ATOM 40559 C5* C B1887 9.387 32.368 -49.760 1.00 0.00 C ATOM 40560 C4* C B1887 7.901 31.933 -50.018 1.00 0.00 C ATOM 40561 O4* C B1887 6.806 32.866 -50.233 1.00 0.00 O ATOM 40562 C3* C B1887 7.447 30.656 -50.723 1.00 0.00 C ATOM 40563 O3* C B1887 8.496 29.418 -50.367 1.00 0.00 O ATOM 40564 C2* C B1887 5.944 30.663 -50.463 1.00 0.00 C ATOM 40565 O2* C B1887 5.663 30.260 -49.131 1.00 0.00 O ATOM 40566 C1* C B1887 5.624 32.152 -50.554 1.00 0.00 C ATOM 40567 N1 C B1887 5.078 32.675 -52.100 1.00 0.00 N ATOM 40568 C2 C B1887 3.716 32.593 -52.367 1.00 0.00 C ATOM 40569 O2 C B1887 2.960 32.127 -51.507 1.00 0.00 O ATOM 40570 N3 C B1887 3.262 33.030 -53.573 1.00 0.00 N ATOM 40571 C4 C B1887 4.108 33.530 -54.483 1.00 0.00 C ATOM 40572 N4 C B1887 3.615 33.941 -55.642 1.00 0.00 N ATOM 40573 C5 C B1887 5.512 33.623 -54.226 1.00 0.00 C ATOM 40574 C6 C B1887 5.948 33.183 -53.019 1.00 0.00 C ATOM 40575 P G B1888 9.128 27.906 -51.380 1.00 0.00 P ATOM 40576 O1P G B1888 9.274 28.317 -52.792 1.00 0.00 O ATOM 40577 O2P G B1888 8.127 26.848 -51.116 1.00 0.00 O ATOM 40578 O5* G B1888 10.826 27.108 -50.926 1.00 0.00 O ATOM 40579 C5* G B1888 11.994 26.080 -51.218 1.00 0.00 C ATOM 40580 C4* G B1888 13.554 26.073 -50.342 1.00 0.00 C ATOM 40581 O4* G B1888 14.542 27.006 -50.867 1.00 0.00 O ATOM 40582 C3* G B1888 12.963 26.808 -49.134 1.00 0.00 C ATOM 40583 O3* G B1888 11.589 26.354 -48.659 1.00 0.00 O ATOM 40584 C2* G B1888 14.182 27.537 -48.577 1.00 0.00 C ATOM 40585 O2* G B1888 15.032 26.645 -47.875 1.00 0.00 O ATOM 40586 C1* G B1888 14.912 27.932 -49.857 1.00 0.00 C ATOM 40587 N9 G B1888 14.452 30.011 -50.599 1.00 0.00 N ATOM 40588 C8 G B1888 13.930 30.406 -51.810 1.00 0.00 C ATOM 40589 N7 G B1888 13.730 31.698 -51.913 1.00 0.00 N ATOM 40590 C5 G B1888 14.162 32.197 -50.686 1.00 0.00 C ATOM 40591 C6 G B1888 14.200 33.531 -50.200 1.00 0.00 C ATOM 40592 O6 G B1888 13.854 34.566 -50.767 1.00 0.00 O ATOM 40593 N1 G B1888 14.708 33.588 -48.899 1.00 0.00 N ATOM 40594 C2 G B1888 15.130 32.503 -48.157 1.00 0.00 C ATOM 40595 N2 G B1888 15.583 32.766 -46.933 1.00 0.00 N ATOM 40596 N3 G B1888 15.095 31.247 -48.609 1.00 0.00 N ATOM 40597 C4 G B1888 14.604 31.175 -49.874 1.00 0.00 C ATOM 40598 P A B1889 11.007 26.442 -46.947 1.00 0.00 P ATOM 40599 O1P A B1889 9.817 27.281 -46.674 1.00 0.00 O ATOM 40600 O2P A B1889 12.182 26.695 -46.085 1.00 0.00 O ATOM 40601 O5* A B1889 10.566 24.698 -47.105 1.00 0.00 O ATOM 40602 C5* A B1889 10.518 24.364 -48.510 1.00 0.00 C ATOM 40603 C4* A B1889 9.034 24.266 -49.121 1.00 0.00 C ATOM 40604 O4* A B1889 8.453 22.930 -49.104 1.00 0.00 O ATOM 40605 C3* A B1889 7.841 25.194 -48.893 1.00 0.00 C ATOM 40606 O3* A B1889 7.498 26.030 -47.626 1.00 0.00 O ATOM 40607 C2* A B1889 6.726 24.476 -49.651 1.00 0.00 C ATOM 40608 O2* A B1889 6.865 24.669 -51.047 1.00 0.00 O ATOM 40609 C1* A B1889 7.058 23.014 -49.373 1.00 0.00 C ATOM 40610 N9 A B1889 6.232 22.345 -48.080 1.00 0.00 N ATOM 40611 C8 A B1889 6.672 22.154 -46.788 1.00 0.00 C ATOM 40612 N7 A B1889 5.872 21.440 -46.056 1.00 0.00 N ATOM 40613 C5 A B1889 4.826 21.123 -46.915 1.00 0.00 C ATOM 40614 C6 A B1889 3.649 20.377 -46.735 1.00 0.00 C ATOM 40615 N6 A B1889 3.314 19.787 -45.580 1.00 0.00 N ATOM 40616 N1 A B1889 2.824 20.264 -47.791 1.00 0.00 N ATOM 40617 C2 A B1889 3.159 20.853 -48.943 1.00 0.00 C ATOM 40618 N3 A B1889 4.230 21.574 -49.222 1.00 0.00 N ATOM 40619 C4 A B1889 5.036 21.671 -48.145 1.00 0.00 C ATOM 40620 P A B1890 6.600 27.559 -48.109 1.00 0.00 P ATOM 40621 O1P A B1890 6.230 27.513 -49.543 1.00 0.00 O ATOM 40622 O2P A B1890 7.378 28.741 -47.679 1.00 0.00 O ATOM 40623 O5* A B1890 5.034 27.332 -47.174 1.00 0.00 O ATOM 40624 C5* A B1890 3.840 28.166 -47.130 1.00 0.00 C ATOM 40625 C4* A B1890 2.758 28.109 -48.347 1.00 0.00 C ATOM 40626 O4* A B1890 3.053 28.273 -49.761 1.00 0.00 O ATOM 40627 C3* A B1890 1.359 27.492 -48.331 1.00 0.00 C ATOM 40628 O3* A B1890 0.580 27.327 -46.997 1.00 0.00 O ATOM 40629 C2* A B1890 0.692 28.178 -49.516 1.00 0.00 C ATOM 40630 O2* A B1890 0.324 29.511 -49.187 1.00 0.00 O ATOM 40631 C1* A B1890 1.847 28.271 -50.509 1.00 0.00 C ATOM 40632 N9 A B1890 1.917 27.005 -51.632 1.00 0.00 N ATOM 40633 C8 A B1890 1.601 25.678 -51.444 1.00 0.00 C ATOM 40634 N7 A B1890 1.612 24.977 -52.538 1.00 0.00 N ATOM 40635 C5 A B1890 1.962 25.895 -53.516 1.00 0.00 C ATOM 40636 C6 A B1890 2.146 25.773 -54.906 1.00 0.00 C ATOM 40637 N6 A B1890 1.994 24.619 -55.571 1.00 0.00 N ATOM 40638 N1 A B1890 2.489 26.883 -55.585 1.00 0.00 N ATOM 40639 C2 A B1890 2.635 28.024 -54.915 1.00 0.00 C ATOM 40640 N3 A B1890 2.491 28.259 -53.630 1.00 0.00 N ATOM 40641 C4 A B1890 2.146 27.131 -52.976 1.00 0.00 C ATOM 40642 P G B1891 0.006 28.787 -46.022 1.00 0.00 P ATOM 40643 O1P G B1891 -0.759 29.733 -46.862 1.00 0.00 O ATOM 40644 O2P G B1891 1.121 29.365 -45.239 1.00 0.00 O ATOM 40645 O5* G B1891 -1.144 27.858 -44.921 1.00 0.00 O ATOM 40646 C5* G B1891 -2.131 27.700 -43.843 1.00 0.00 C ATOM 40647 C4* G B1891 -3.096 28.994 -43.631 1.00 0.00 C ATOM 40648 O4* G B1891 -2.738 30.220 -44.336 1.00 0.00 O ATOM 40649 C3* G B1891 -4.454 29.312 -43.006 1.00 0.00 C ATOM 40650 O3* G B1891 -4.623 28.627 -41.566 1.00 0.00 O ATOM 40651 C2* G B1891 -4.302 30.783 -42.637 1.00 0.00 C ATOM 40652 O2* G B1891 -3.507 30.933 -41.473 1.00 0.00 O ATOM 40653 C1* G B1891 -3.471 31.310 -43.806 1.00 0.00 C ATOM 40654 N9 G B1891 -4.415 32.037 -45.116 1.00 0.00 N ATOM 40655 C8 G B1891 -4.572 33.370 -45.440 1.00 0.00 C ATOM 40656 N7 G B1891 -5.249 33.568 -46.548 1.00 0.00 N ATOM 40657 C5 G B1891 -5.560 32.282 -46.986 1.00 0.00 C ATOM 40658 C6 G B1891 -6.281 31.859 -48.128 1.00 0.00 C ATOM 40659 O6 G B1891 -6.800 32.542 -49.010 1.00 0.00 O ATOM 40660 N1 G B1891 -6.365 30.462 -48.193 1.00 0.00 N ATOM 40661 C2 G B1891 -5.825 29.587 -47.271 1.00 0.00 C ATOM 40662 N2 G B1891 -6.017 28.289 -47.504 1.00 0.00 N ATOM 40663 N3 G B1891 -5.150 29.988 -46.193 1.00 0.00 N ATOM 40664 C4 G B1891 -5.057 31.344 -46.120 1.00 0.00 C ATOM 40665 P C B1892 -5.933 27.641 -40.697 1.00 0.00 P ATOM 40666 O1P C B1892 -6.861 28.295 -39.752 1.00 0.00 O ATOM 40667 O2P C B1892 -5.139 26.516 -40.148 1.00 0.00 O ATOM 40668 O5* C B1892 -6.733 27.156 -41.994 1.00 0.00 O ATOM 40669 C5* C B1892 -8.028 27.719 -42.269 1.00 0.00 C ATOM 40670 C4* C B1892 -8.543 27.215 -43.600 1.00 0.00 C ATOM 40671 O4* C B1892 -7.717 27.768 -44.664 1.00 0.00 O ATOM 40672 C3* C B1892 -8.462 25.703 -43.818 1.00 0.00 C ATOM 40673 O3* C B1892 -9.559 25.047 -43.264 1.00 0.00 O ATOM 40674 C2* C B1892 -8.421 25.601 -45.340 1.00 0.00 C ATOM 40675 O2* C B1892 -9.709 25.813 -45.896 1.00 0.00 O ATOM 40676 C1* C B1892 -7.574 26.816 -45.708 1.00 0.00 C ATOM 40677 N1 C B1892 -6.126 26.511 -45.860 1.00 0.00 N ATOM 40678 C2 C B1892 -5.723 25.824 -47.005 1.00 0.00 C ATOM 40679 O2 C B1892 -6.578 25.501 -47.836 1.00 0.00 O ATOM 40680 N3 C B1892 -4.407 25.538 -47.161 1.00 0.00 N ATOM 40681 C4 C B1892 -3.511 25.906 -46.238 1.00 0.00 C ATOM 40682 N4 C B1892 -2.238 25.602 -46.439 1.00 0.00 N ATOM 40683 C5 C B1892 -3.903 26.612 -45.056 1.00 0.00 C ATOM 40684 C6 C B1892 -5.225 26.890 -44.914 1.00 0.00 C ATOM 40685 P C B1893 -9.349 23.556 -42.636 1.00 0.00 P ATOM 40686 O1P C B1893 -10.505 23.189 -41.789 1.00 0.00 O ATOM 40687 O2P C B1893 -8.022 23.478 -41.984 1.00 0.00 O ATOM 40688 O5* C B1893 -9.352 22.667 -43.969 1.00 0.00 O ATOM 40689 C5* C B1893 -10.519 22.668 -44.804 1.00 0.00 C ATOM 40690 C4* C B1893 -10.258 21.864 -46.063 1.00 0.00 C ATOM 40691 O4* C B1893 -9.271 22.569 -46.872 1.00 0.00 O ATOM 40692 C3* C B1893 -9.644 20.482 -45.852 1.00 0.00 C ATOM 40693 O3* C B1893 -10.621 19.526 -45.573 1.00 0.00 O ATOM 40694 C2* C B1893 -8.947 20.234 -47.188 1.00 0.00 C ATOM 40695 O2* C B1893 -9.886 19.885 -48.191 1.00 0.00 O ATOM 40696 C1* C B1893 -8.432 21.629 -47.529 1.00 0.00 C ATOM 40697 N1 C B1893 -7.032 21.875 -47.084 1.00 0.00 N ATOM 40698 C2 C B1893 -6.007 21.270 -47.806 1.00 0.00 C ATOM 40699 O2 C B1893 -6.297 20.558 -48.775 1.00 0.00 O ATOM 40700 N3 C B1893 -4.723 21.484 -47.418 1.00 0.00 N ATOM 40701 C4 C B1893 -4.449 22.261 -46.362 1.00 0.00 C ATOM 40702 N4 C B1893 -3.180 22.432 -46.024 1.00 0.00 N ATOM 40703 C5 C B1893 -5.489 22.891 -45.608 1.00 0.00 C ATOM 40704 C6 C B1893 -6.764 22.667 -46.012 1.00 0.00 C ATOM 40705 P C B1894 -10.686 18.400 -44.109 1.00 0.00 P ATOM 40706 O1P C B1894 -12.007 17.934 -43.635 1.00 0.00 O ATOM 40707 O2P C B1894 -9.685 18.677 -43.053 1.00 0.00 O ATOM 40708 O5* C B1894 -10.085 17.354 -45.159 1.00 0.00 O ATOM 40709 C5* C B1894 -10.863 17.008 -46.321 1.00 0.00 C ATOM 40710 C4* C B1894 -10.058 16.107 -47.235 1.00 0.00 C ATOM 40711 O4* C B1894 -8.948 16.870 -47.794 1.00 0.00 O ATOM 40712 C3* C B1894 -9.379 14.913 -46.562 1.00 0.00 C ATOM 40713 O3* C B1894 -10.249 13.832 -46.437 1.00 0.00 O ATOM 40714 C2* C B1894 -8.219 14.627 -47.514 1.00 0.00 C ATOM 40715 O2* C B1894 -8.677 13.965 -48.681 1.00 0.00 O ATOM 40716 C1* C B1894 -7.811 16.036 -47.935 1.00 0.00 C ATOM 40717 N1 C B1894 -6.712 16.611 -47.109 1.00 0.00 N ATOM 40718 C2 C B1894 -5.425 16.128 -47.313 1.00 0.00 C ATOM 40719 O2 C B1894 -5.247 15.248 -48.162 1.00 0.00 O ATOM 40720 N3 C B1894 -4.408 16.638 -46.572 1.00 0.00 N ATOM 40721 C4 C B1894 -4.642 17.592 -45.662 1.00 0.00 C ATOM 40722 N4 C B1894 -3.618 18.060 -44.963 1.00 0.00 N ATOM 40723 C5 C B1894 -5.961 18.106 -45.435 1.00 0.00 C ATOM 40724 C6 C B1894 -6.959 17.578 -46.187 1.00 0.00 C ATOM 40725 P C B1895 -10.109 12.857 -45.135 1.00 0.00 P ATOM 40726 O1P C B1895 -11.320 12.019 -44.991 1.00 0.00 O ATOM 40727 O2P C B1895 -9.739 13.667 -43.953 1.00 0.00 O ATOM 40728 O5* C B1895 -8.868 11.946 -45.578 1.00 0.00 O ATOM 40729 C5* C B1895 -8.982 11.140 -46.766 1.00 0.00 C ATOM 40730 C4* C B1895 -7.660 10.463 -47.061 1.00 0.00 C ATOM 40731 O4* C B1895 -6.685 11.478 -47.441 1.00 0.00 O ATOM 40732 C3* C B1895 -7.002 9.746 -45.882 1.00 0.00 C ATOM 40733 O3* C B1895 -7.506 8.456 -45.723 1.00 0.00 O ATOM 40734 C2* C B1895 -5.529 9.754 -46.285 1.00 0.00 C ATOM 40735 O2* C B1895 -5.272 8.779 -47.283 1.00 0.00 O ATOM 40736 C1* C B1895 -5.401 11.117 -46.956 1.00 0.00 C ATOM 40737 N1 C B1895 -4.938 12.196 -46.039 1.00 0.00 N ATOM 40738 C2 C B1895 -3.597 12.200 -45.667 1.00 0.00 C ATOM 40739 O2 C B1895 -2.851 11.318 -46.112 1.00 0.00 O ATOM 40740 N3 C B1895 -3.153 13.173 -44.832 1.00 0.00 N ATOM 40741 C4 C B1895 -3.990 14.113 -44.374 1.00 0.00 C ATOM 40742 N4 C B1895 -3.509 15.040 -43.561 1.00 0.00 N ATOM 40743 C5 C B1895 -5.374 14.127 -44.741 1.00 0.00 C ATOM 40744 C6 C B1895 -5.798 13.144 -45.577 1.00 0.00 C ATOM 40745 P G B1896 -7.633 7.843 -44.215 1.00 0.00 P ATOM 40746 O1P G B1896 -8.508 6.652 -44.218 1.00 0.00 O ATOM 40747 O2P G B1896 -8.012 8.922 -43.276 1.00 0.00 O ATOM 40748 O5* G B1896 -6.118 7.399 -43.945 1.00 0.00 O ATOM 40749 C5* G B1896 -5.513 6.422 -44.810 1.00 0.00 C ATOM 40750 C4* G B1896 -4.050 6.247 -44.452 1.00 0.00 C ATOM 40751 O4* G B1896 -3.334 7.469 -44.790 1.00 0.00 O ATOM 40752 C3* G B1896 -3.746 6.041 -42.966 1.00 0.00 C ATOM 40753 O3* G B1896 -3.891 4.705 -42.597 1.00 0.00 O ATOM 40754 C2* G B1896 -2.305 6.530 -42.864 1.00 0.00 C ATOM 40755 O2* G B1896 -1.407 5.563 -43.387 1.00 0.00 O ATOM 40756 C1* G B1896 -2.309 7.704 -43.836 1.00 0.00 C ATOM 40757 N9 G B1896 -2.575 9.019 -43.188 1.00 0.00 N ATOM 40758 C8 G B1896 -3.717 9.790 -43.218 1.00 0.00 C ATOM 40759 N7 G B1896 -3.628 10.904 -42.534 1.00 0.00 N ATOM 40760 C5 G B1896 -2.337 10.871 -42.012 1.00 0.00 C ATOM 40761 C6 G B1896 -1.660 11.805 -41.187 1.00 0.00 C ATOM 40762 O6 G B1896 -2.065 12.873 -40.740 1.00 0.00 O ATOM 40763 N1 G B1896 -0.358 11.375 -40.889 1.00 0.00 N ATOM 40764 C2 G B1896 0.215 10.198 -41.332 1.00 0.00 C ATOM 40765 N2 G B1896 1.468 9.972 -40.938 1.00 0.00 N ATOM 40766 N3 G B1896 -0.422 9.322 -42.106 1.00 0.00 N ATOM 40767 C4 G B1896 -1.687 9.724 -42.405 1.00 0.00 C ATOM 40768 P G B1897 -4.431 4.361 -41.097 1.00 0.00 P ATOM 40769 O1P G B1897 -4.857 2.945 -41.019 1.00 0.00 O ATOM 40770 O2P G B1897 -5.444 5.361 -40.693 1.00 0.00 O ATOM 40771 O5* G B1897 -3.094 4.567 -40.241 1.00 0.00 O ATOM 40772 C5* G B1897 -1.944 3.753 -40.530 1.00 0.00 C ATOM 40773 C4* G B1897 -0.764 4.201 -39.692 1.00 0.00 C ATOM 40774 O4* G B1897 -0.351 5.526 -40.136 1.00 0.00 O ATOM 40775 C3* G B1897 -1.039 4.382 -38.200 1.00 0.00 C ATOM 40776 O3* G B1897 -0.934 3.176 -37.510 1.00 0.00 O ATOM 40777 C2* G B1897 0.041 5.385 -37.795 1.00 0.00 C ATOM 40778 O2* G B1897 1.302 4.751 -37.691 1.00 0.00 O ATOM 40779 C1* G B1897 0.096 6.287 -39.025 1.00 0.00 C ATOM 40780 N9 G B1897 -0.769 7.498 -38.921 1.00 0.00 N ATOM 40781 C8 G B1897 -1.967 7.765 -39.542 1.00 0.00 C ATOM 40782 N7 G B1897 -2.479 8.935 -39.232 1.00 0.00 N ATOM 40783 C5 G B1897 -1.550 9.476 -38.342 1.00 0.00 C ATOM 40784 C6 G B1897 -1.554 10.721 -37.665 1.00 0.00 C ATOM 40785 O6 G B1897 -2.392 11.620 -37.713 1.00 0.00 O ATOM 40786 N1 G B1897 -0.421 10.866 -36.855 1.00 0.00 N ATOM 40787 C2 G B1897 0.587 9.931 -36.718 1.00 0.00 C ATOM 40788 N2 G B1897 1.586 10.264 -35.897 1.00 0.00 N ATOM 40789 N3 G B1897 0.589 8.763 -37.353 1.00 0.00 N ATOM 40790 C4 G B1897 -0.506 8.606 -38.146 1.00 0.00 C ATOM 40791 P U B1898 -1.912 2.916 -36.229 1.00 0.00 P ATOM 40792 O1P U B1898 -1.916 1.479 -35.872 1.00 0.00 O ATOM 40793 O2P U B1898 -3.237 3.518 -36.489 1.00 0.00 O ATOM 40794 O5* U B1898 -1.150 3.753 -35.095 1.00 0.00 O ATOM 40795 C5* U B1898 0.198 3.388 -34.749 1.00 0.00 C ATOM 40796 C4* U B1898 0.765 4.382 -33.754 1.00 0.00 C ATOM 40797 O4* U B1898 0.932 5.670 -34.419 1.00 0.00 O ATOM 40798 C3* U B1898 -0.125 4.704 -32.553 1.00 0.00 C ATOM 40799 O3* U B1898 0.029 3.761 -31.539 1.00 0.00 O ATOM 40800 C2* U B1898 0.370 6.090 -32.147 1.00 0.00 C ATOM 40801 O2* U B1898 1.607 6.003 -31.460 1.00 0.00 O ATOM 40802 C1* U B1898 0.659 6.719 -33.506 1.00 0.00 C ATOM 40803 N1 U B1898 -0.477 7.518 -34.049 1.00 0.00 N ATOM 40804 C2 U B1898 -0.716 8.742 -33.468 1.00 0.00 C ATOM 40805 O2 U B1898 -0.046 9.180 -32.551 1.00 0.00 O ATOM 40806 N3 U B1898 -1.775 9.450 -33.998 1.00 0.00 N ATOM 40807 C4 U B1898 -2.596 9.049 -35.033 1.00 0.00 C ATOM 40808 O4 U B1898 -3.517 9.774 -35.422 1.00 0.00 O ATOM 40809 C5 U B1898 -2.266 7.754 -35.577 1.00 0.00 C ATOM 40810 C6 U B1898 -1.240 7.042 -35.079 1.00 0.00 C ATOM 40811 P A B1899 -0.916 3.526 -29.975 1.00 0.00 P ATOM 40812 O1P A B1899 -0.262 4.409 -28.980 1.00 0.00 O ATOM 40813 O2P A B1899 -1.009 2.095 -29.605 1.00 0.00 O ATOM 40814 O5* A B1899 -2.605 4.059 -30.479 1.00 0.00 O ATOM 40815 C5* A B1899 -3.730 3.261 -30.966 1.00 0.00 C ATOM 40816 C4* A B1899 -5.268 3.241 -30.324 1.00 0.00 C ATOM 40817 O4* A B1899 -6.365 2.785 -31.171 1.00 0.00 O ATOM 40818 C3* A B1899 -5.959 4.080 -29.249 1.00 0.00 C ATOM 40819 O3* A B1899 -6.274 3.717 -27.748 1.00 0.00 O ATOM 40820 C2* A B1899 -7.086 4.746 -30.035 1.00 0.00 C ATOM 40821 O2* A B1899 -6.585 5.810 -30.831 1.00 0.00 O ATOM 40822 C1* A B1899 -7.491 3.633 -30.999 1.00 0.00 C ATOM 40823 N9 A B1899 -8.784 2.695 -30.482 1.00 0.00 N ATOM 40824 C8 A B1899 -8.868 1.324 -30.400 1.00 0.00 C ATOM 40825 N7 A B1899 -10.058 0.876 -30.139 1.00 0.00 N ATOM 40826 C5 A B1899 -10.830 2.028 -30.037 1.00 0.00 C ATOM 40827 C6 A B1899 -12.192 2.233 -29.772 1.00 0.00 C ATOM 40828 N6 A B1899 -13.058 1.240 -29.546 1.00 0.00 N ATOM 40829 N1 A B1899 -12.632 3.506 -29.747 1.00 0.00 N ATOM 40830 C2 A B1899 -11.763 4.491 -29.965 1.00 0.00 C ATOM 40831 N3 A B1899 -10.475 4.421 -30.223 1.00 0.00 N ATOM 40832 C4 A B1899 -10.060 3.138 -30.246 1.00 0.00 C ATOM 40833 P A B1900 -6.267 2.039 -27.004 1.00 0.00 P ATOM 40834 O1P A B1900 -6.581 0.987 -27.992 1.00 0.00 O ATOM 40835 O2P A B1900 -7.092 2.034 -25.776 1.00 0.00 O ATOM 40836 O5* A B1900 -4.500 2.082 -26.530 1.00 0.00 O ATOM 40837 C5* A B1900 -3.282 2.713 -26.058 1.00 0.00 C ATOM 40838 C4* A B1900 -3.027 4.067 -26.923 1.00 0.00 C ATOM 40839 O4* A B1900 -4.267 4.514 -27.551 1.00 0.00 O ATOM 40840 C3* A B1900 -2.345 5.365 -26.491 1.00 0.00 C ATOM 40841 O3* A B1900 -0.800 5.108 -26.818 1.00 0.00 O ATOM 40842 C2* A B1900 -2.712 6.313 -27.633 1.00 0.00 C ATOM 40843 O2* A B1900 -1.931 6.051 -28.782 1.00 0.00 O ATOM 40844 C1* A B1900 -4.139 5.869 -27.950 1.00 0.00 C ATOM 40845 N9 A B1900 -5.345 6.767 -27.180 1.00 0.00 N ATOM 40846 C8 A B1900 -5.723 8.071 -27.420 1.00 0.00 C ATOM 40847 N7 A B1900 -6.813 8.419 -26.811 1.00 0.00 N ATOM 40848 C5 A B1900 -7.195 7.285 -26.120 1.00 0.00 C ATOM 40849 C6 A B1900 -8.277 7.003 -25.275 1.00 0.00 C ATOM 40850 N6 A B1900 -9.228 7.903 -24.971 1.00 0.00 N ATOM 40851 N1 A B1900 -8.360 5.772 -24.752 1.00 0.00 N ATOM 40852 C2 A B1900 -7.413 4.883 -25.054 1.00 0.00 C ATOM 40853 N3 A B1900 -6.357 5.024 -25.827 1.00 0.00 N ATOM 40854 C4 A B1900 -6.302 6.271 -26.337 1.00 0.00 C ATOM 40855 P A B1901 0.590 4.402 -25.936 1.00 0.00 P ATOM 40856 O1P A B1901 1.736 4.048 -26.803 1.00 0.00 O ATOM 40857 O2P A B1901 0.361 3.511 -24.778 1.00 0.00 O ATOM 40858 O5* A B1901 0.735 5.915 -25.441 1.00 0.00 O ATOM 40859 C5* A B1901 2.028 6.403 -25.044 1.00 0.00 C ATOM 40860 C4* A B1901 1.953 7.885 -24.735 1.00 0.00 C ATOM 40861 O4* A B1901 1.694 8.611 -25.972 1.00 0.00 O ATOM 40862 C3* A B1901 0.817 8.316 -23.811 1.00 0.00 C ATOM 40863 O3* A B1901 1.160 8.162 -22.469 1.00 0.00 O ATOM 40864 C2* A B1901 0.620 9.779 -24.205 1.00 0.00 C ATOM 40865 O2* A B1901 1.644 10.587 -23.650 1.00 0.00 O ATOM 40866 C1* A B1901 0.861 9.724 -25.710 1.00 0.00 C ATOM 40867 N9 A B1901 -0.386 9.567 -26.509 1.00 0.00 N ATOM 40868 C8 A B1901 -0.858 8.456 -27.169 1.00 0.00 C ATOM 40869 N7 A B1901 -1.986 8.647 -27.779 1.00 0.00 N ATOM 40870 C5 A B1901 -2.296 9.970 -27.510 1.00 0.00 C ATOM 40871 C6 A B1901 -3.380 10.784 -27.877 1.00 0.00 C ATOM 40872 N6 A B1901 -4.400 10.357 -28.635 1.00 0.00 N ATOM 40873 N1 A B1901 -3.375 12.057 -27.442 1.00 0.00 N ATOM 40874 C2 A B1901 -2.355 12.474 -26.692 1.00 0.00 C ATOM 40875 N3 A B1901 -1.297 11.810 -26.286 1.00 0.00 N ATOM 40876 C4 A B1901 -1.327 10.538 -26.736 1.00 0.00 C ATOM 40877 P C B1902 -0.006 7.749 -21.401 1.00 0.00 P ATOM 40878 O1P C B1902 0.603 7.279 -20.137 1.00 0.00 O ATOM 40879 O2P C B1902 -0.954 6.816 -22.046 1.00 0.00 O ATOM 40880 O5* C B1902 -0.714 9.166 -21.169 1.00 0.00 O ATOM 40881 C5* C B1902 0.061 10.253 -20.631 1.00 0.00 C ATOM 40882 C4* C B1902 -0.768 11.522 -20.614 1.00 0.00 C ATOM 40883 O4* C B1902 -1.018 11.939 -21.985 1.00 0.00 O ATOM 40884 C3* C B1902 -2.167 11.390 -20.007 1.00 0.00 C ATOM 40885 O3* C B1902 -2.135 11.517 -18.619 1.00 0.00 O ATOM 40886 C2* C B1902 -2.914 12.538 -20.683 1.00 0.00 C ATOM 40887 O2* C B1902 -2.558 13.784 -20.105 1.00 0.00 O ATOM 40888 C1* C B1902 -2.312 12.514 -22.087 1.00 0.00 C ATOM 40889 N1 C B1902 -3.096 11.707 -23.061 1.00 0.00 N ATOM 40890 C2 C B1902 -4.293 12.244 -23.531 1.00 0.00 C ATOM 40891 O2 C B1902 -4.649 13.356 -23.128 1.00 0.00 O ATOM 40892 N3 C B1902 -5.023 11.524 -24.422 1.00 0.00 N ATOM 40893 C4 C B1902 -4.603 10.323 -24.837 1.00 0.00 C ATOM 40894 N4 C B1902 -5.355 9.662 -25.707 1.00 0.00 N ATOM 40895 C5 C B1902 -3.379 9.755 -24.364 1.00 0.00 C ATOM 40896 C6 C B1902 -2.663 10.489 -23.475 1.00 0.00 C ATOM 40897 P G B1903 -2.864 10.395 -17.436 1.00 0.00 P ATOM 40898 O1P G B1903 -1.856 10.347 -16.355 1.00 0.00 O ATOM 40899 O2P G B1903 -3.727 9.200 -17.566 1.00 0.00 O ATOM 40900 O5* G B1903 -3.775 11.703 -17.270 1.00 0.00 O ATOM 40901 C5* G B1903 -3.140 12.993 -17.213 1.00 0.00 C ATOM 40902 C4* G B1903 -4.186 14.087 -17.179 1.00 0.00 C ATOM 40903 O4* G B1903 -4.880 14.118 -18.462 1.00 0.00 O ATOM 40904 C3* G B1903 -5.313 13.900 -16.159 1.00 0.00 C ATOM 40905 O3* G B1903 -4.941 14.363 -14.899 1.00 0.00 O ATOM 40906 C2* G B1903 -6.442 14.721 -16.777 1.00 0.00 C ATOM 40907 O2* G B1903 -6.225 16.108 -16.585 1.00 0.00 O ATOM 40908 C1* G B1903 -6.245 14.445 -18.265 1.00 0.00 C ATOM 40909 N9 G B1903 -7.067 13.316 -18.781 1.00 0.00 N ATOM 40910 C8 G B1903 -6.677 12.039 -19.124 1.00 0.00 C ATOM 40911 N7 G B1903 -7.658 11.278 -19.549 1.00 0.00 N ATOM 40912 C5 G B1903 -8.777 12.108 -19.478 1.00 0.00 C ATOM 40913 C6 G B1903 -10.131 11.845 -19.806 1.00 0.00 C ATOM 40914 O6 G B1903 -10.633 10.810 -20.233 1.00 0.00 O ATOM 40915 N1 G B1903 -10.941 12.971 -19.586 1.00 0.00 N ATOM 40916 C2 G B1903 -10.496 14.187 -19.111 1.00 0.00 C ATOM 40917 N2 G B1903 -11.423 15.133 -18.969 1.00 0.00 N ATOM 40918 N3 G B1903 -9.224 14.434 -18.803 1.00 0.00 N ATOM 40919 C4 G B1903 -8.426 13.353 -19.012 1.00 0.00 C ATOM 40920 P G B1904 -5.517 13.592 -13.581 1.00 0.00 P ATOM 40921 O1P G B1904 -4.741 13.978 -12.382 1.00 0.00 O ATOM 40922 O2P G B1904 -5.598 12.140 -13.852 1.00 0.00 O ATOM 40923 O5* G B1904 -6.992 14.209 -13.493 1.00 0.00 O ATOM 40924 C5* G B1904 -7.145 15.631 -13.318 1.00 0.00 C ATOM 40925 C4* G B1904 -8.612 16.006 -13.387 1.00 0.00 C ATOM 40926 O4* G B1904 -9.091 15.786 -14.745 1.00 0.00 O ATOM 40927 C3* G B1904 -9.555 15.168 -12.524 1.00 0.00 C ATOM 40928 O3* G B1904 -9.603 15.638 -11.214 1.00 0.00 O ATOM 40929 C2* G B1904 -10.885 15.327 -13.258 1.00 0.00 C ATOM 40930 O2* G B1904 -11.453 16.599 -12.996 1.00 0.00 O ATOM 40931 C1* G B1904 -10.434 15.335 -14.715 1.00 0.00 C ATOM 40932 N9 G B1904 -10.483 13.994 -15.362 1.00 0.00 N ATOM 40933 C8 G B1904 -9.446 13.147 -15.692 1.00 0.00 C ATOM 40934 N7 G B1904 -9.830 12.028 -16.257 1.00 0.00 N ATOM 40935 C5 G B1904 -11.220 12.140 -16.308 1.00 0.00 C ATOM 40936 C6 G B1904 -12.192 11.242 -16.811 1.00 0.00 C ATOM 40937 O6 G B1904 -12.027 10.140 -17.327 1.00 0.00 O ATOM 40938 N1 G B1904 -13.486 11.752 -16.663 1.00 0.00 N ATOM 40939 C2 G B1904 -13.803 12.973 -16.100 1.00 0.00 C ATOM 40940 N2 G B1904 -15.102 13.277 -16.050 1.00 0.00 N ATOM 40941 N3 G B1904 -12.891 13.817 -15.625 1.00 0.00 N ATOM 40942 C4 G B1904 -11.627 13.336 -15.761 1.00 0.00 C ATOM 40943 P C B1905 -9.805 14.563 -10.003 1.00 0.00 P ATOM 40944 O1P C B1905 -9.466 15.187 -8.704 1.00 0.00 O ATOM 40945 O2P C B1905 -9.078 13.315 -10.325 1.00 0.00 O ATOM 40946 O5* C B1905 -11.382 14.309 -10.085 1.00 0.00 O ATOM 40947 C5* C B1905 -12.279 15.416 -9.891 1.00 0.00 C ATOM 40948 C4* C B1905 -13.708 14.978 -10.134 1.00 0.00 C ATOM 40949 O4* C B1905 -13.870 14.664 -11.549 1.00 0.00 O ATOM 40950 C3* C B1905 -14.142 13.693 -9.422 1.00 0.00 C ATOM 40951 O3* C B1905 -14.553 13.946 -8.116 1.00 0.00 O ATOM 40952 C2* C B1905 -15.279 13.201 -10.315 1.00 0.00 C ATOM 40953 O2* C B1905 -16.456 13.960 -10.090 1.00 0.00 O ATOM 40954 C1* C B1905 -14.768 13.574 -11.700 1.00 0.00 C ATOM 40955 N1 C B1905 -14.038 12.472 -12.388 1.00 0.00 N ATOM 40956 C2 C B1905 -14.790 11.416 -12.895 1.00 0.00 C ATOM 40957 O2 C B1905 -16.016 11.437 -12.760 1.00 0.00 O ATOM 40958 N3 C B1905 -14.143 10.401 -13.526 1.00 0.00 N ATOM 40959 C4 C B1905 -12.809 10.413 -13.653 1.00 0.00 C ATOM 40960 N4 C B1905 -12.229 9.400 -14.274 1.00 0.00 N ATOM 40961 C5 C B1905 -12.020 11.493 -13.136 1.00 0.00 C ATOM 40962 C6 C B1905 -12.684 12.496 -12.511 1.00 0.00 C ATOM 40963 H5 C B1905 -10.914 11.516 -13.261 1.00 0.00 H ATOM 40964 H6 C B1905 -12.098 13.323 -12.067 1.00 0.00 H ATOM 40965 P G B1906 -14.906 15.407 -6.421 1.00 0.00 P ATOM 40966 O1P G B1906 -14.971 14.448 -5.297 1.00 0.00 O ATOM 40967 O2P G B1906 -16.190 16.028 -6.809 1.00 0.00 O ATOM 40968 O5* G B1906 -13.829 16.546 -6.102 1.00 0.00 O ATOM 40969 C5* G B1906 -12.477 16.160 -5.789 1.00 0.00 C ATOM 40970 C4* G B1906 -11.606 17.389 -5.649 1.00 0.00 C ATOM 40971 O4* G B1906 -11.472 18.025 -6.951 1.00 0.00 O ATOM 40972 C3* G B1906 -12.162 18.502 -4.753 1.00 0.00 C ATOM 40973 O3* G B1906 -11.869 18.270 -3.411 1.00 0.00 O ATOM 40974 C2* G B1906 -11.454 19.737 -5.306 1.00 0.00 C ATOM 40975 O2* G B1906 -10.109 19.783 -4.868 1.00 0.00 O ATOM 40976 C1* G B1906 -11.423 19.434 -6.799 1.00 0.00 C ATOM 40977 N9 G B1906 -12.572 20.018 -7.551 1.00 0.00 N ATOM 40978 C8 G B1906 -13.680 19.388 -8.074 1.00 0.00 C ATOM 40979 N7 G B1906 -14.513 20.194 -8.688 1.00 0.00 N ATOM 40980 C5 G B1906 -13.912 21.446 -8.558 1.00 0.00 C ATOM 40981 C6 G B1906 -14.345 22.717 -9.020 1.00 0.00 C ATOM 40982 O6 G B1906 -15.362 23.005 -9.647 1.00 0.00 O ATOM 40983 N1 G B1906 -13.438 23.725 -8.671 1.00 0.00 N ATOM 40984 C2 G B1906 -12.262 23.531 -7.971 1.00 0.00 C ATOM 40985 N2 G B1906 -11.530 24.622 -7.738 1.00 0.00 N ATOM 40986 N3 G B1906 -11.859 22.339 -7.538 1.00 0.00 N ATOM 40987 C4 G B1906 -12.729 21.350 -7.869 1.00 0.00 C ATOM 40988 P G B1907 -12.949 18.746 -2.283 1.00 0.00 P ATOM 40989 O1P G B1907 -12.650 18.098 -0.983 1.00 0.00 O ATOM 40990 O2P G B1907 -14.321 18.549 -2.799 1.00 0.00 O ATOM 40991 O5* G B1907 -12.623 20.312 -2.196 1.00 0.00 O ATOM 40992 C5* G B1907 -11.302 20.728 -1.799 1.00 0.00 C ATOM 40993 C4* G B1907 -11.181 22.233 -1.907 1.00 0.00 C ATOM 40994 O4* G B1907 -11.238 22.612 -3.313 1.00 0.00 O ATOM 40995 C3* G B1907 -12.307 23.041 -1.265 1.00 0.00 C ATOM 40996 O3* G B1907 -12.092 23.226 0.099 1.00 0.00 O ATOM 40997 C2* G B1907 -12.255 24.349 -2.051 1.00 0.00 C ATOM 40998 O2* G B1907 -11.167 25.150 -1.623 1.00 0.00 O ATOM 40999 C1* G B1907 -11.916 23.850 -3.451 1.00 0.00 C ATOM 41000 N9 G B1907 -13.110 23.627 -4.315 1.00 0.00 N ATOM 41001 C8 G B1907 -13.691 22.442 -4.706 1.00 0.00 C ATOM 41002 N7 G B1907 -14.744 22.593 -5.476 1.00 0.00 N ATOM 41003 C5 G B1907 -14.866 23.977 -5.601 1.00 0.00 C ATOM 41004 C6 G B1907 -15.819 24.747 -6.316 1.00 0.00 C ATOM 41005 O6 G B1907 -16.768 24.363 -6.997 1.00 0.00 O ATOM 41006 N1 G B1907 -15.574 26.121 -6.177 1.00 0.00 N ATOM 41007 C2 G B1907 -14.544 26.676 -5.440 1.00 0.00 C ATOM 41008 N2 G B1907 -14.481 28.008 -5.433 1.00 0.00 N ATOM 41009 N3 G B1907 -13.652 25.951 -4.771 1.00 0.00 N ATOM 41010 C4 G B1907 -13.873 24.614 -4.896 1.00 0.00 C ATOM 41011 P C B1908 -13.382 23.272 1.101 1.00 0.00 P ATOM 41012 O1P C B1908 -12.946 23.105 2.504 1.00 0.00 O ATOM 41013 O2P C B1908 -14.408 22.319 0.625 1.00 0.00 O ATOM 41014 O5* C B1908 -13.889 24.772 0.868 1.00 0.00 O ATOM 41015 C5* C B1908 -13.003 25.865 1.180 1.00 0.00 C ATOM 41016 C4* C B1908 -13.636 27.179 0.767 1.00 0.00 C ATOM 41017 O4* C B1908 -13.717 27.227 -0.687 1.00 0.00 O ATOM 41018 C3* C B1908 -15.078 27.396 1.224 1.00 0.00 C ATOM 41019 O3* C B1908 -15.133 27.897 2.520 1.00 0.00 O ATOM 41020 C2* C B1908 -15.596 28.390 0.186 1.00 0.00 C ATOM 41021 O2* C B1908 -15.105 29.696 0.448 1.00 0.00 O ATOM 41022 C1* C B1908 -14.901 27.901 -1.082 1.00 0.00 C ATOM 41023 N1 C B1908 -15.724 26.957 -1.887 1.00 0.00 N ATOM 41024 C2 C B1908 -16.788 27.480 -2.616 1.00 0.00 C ATOM 41025 O2 C B1908 -17.005 28.697 -2.565 1.00 0.00 O ATOM 41026 N3 C B1908 -17.549 26.638 -3.360 1.00 0.00 N ATOM 41027 C4 C B1908 -17.280 25.325 -3.391 1.00 0.00 C ATOM 41028 N4 C B1908 -18.054 24.544 -4.128 1.00 0.00 N ATOM 41029 C5 C B1908 -16.190 24.764 -2.648 1.00 0.00 C ATOM 41030 C6 C B1908 -15.442 25.625 -1.913 1.00 0.00 C ATOM 41031 P C B1909 -16.378 27.451 3.483 1.00 0.00 P ATOM 41032 O1P C B1909 -16.074 27.774 4.894 1.00 0.00 O ATOM 41033 O2P C B1909 -16.735 26.043 3.205 1.00 0.00 O ATOM 41034 O5* C B1909 -17.534 28.418 2.945 1.00 0.00 O ATOM 41035 C5* C B1909 -17.348 29.843 3.033 1.00 0.00 C ATOM 41036 C4* C B1909 -18.501 30.559 2.356 1.00 0.00 C ATOM 41037 O4* C B1909 -18.437 30.307 0.923 1.00 0.00 O ATOM 41038 C3* C B1909 -19.901 30.087 2.749 1.00 0.00 C ATOM 41039 O3* C B1909 -20.343 30.704 3.917 1.00 0.00 O ATOM 41040 C2* C B1909 -20.728 30.480 1.526 1.00 0.00 C ATOM 41041 O2* C B1909 -20.982 31.876 1.521 1.00 0.00 O ATOM 41042 C1* C B1909 -19.746 30.202 0.391 1.00 0.00 C ATOM 41043 N1 C B1909 -19.897 28.850 -0.213 1.00 0.00 N ATOM 41044 C2 C B1909 -20.992 28.624 -1.040 1.00 0.00 C ATOM 41045 O2 C B1909 -21.788 29.548 -1.239 1.00 0.00 O ATOM 41046 N3 C B1909 -21.146 27.397 -1.598 1.00 0.00 N ATOM 41047 C4 C B1909 -20.261 26.423 -1.359 1.00 0.00 C ATOM 41048 N4 C B1909 -20.456 25.242 -1.928 1.00 0.00 N ATOM 41049 C5 C B1909 -19.125 26.634 -0.512 1.00 0.00 C ATOM 41050 C6 C B1909 -18.989 27.868 0.038 1.00 0.00 C ATOM 41051 P G B1910 -21.295 29.862 4.940 1.00 0.00 P ATOM 41052 O1P G B1910 -21.351 30.531 6.259 1.00 0.00 O ATOM 41053 O2P G B1910 -20.872 28.443 4.955 1.00 0.00 O ATOM 41054 O5* G B1910 -22.713 29.994 4.206 1.00 0.00 O ATOM 41055 C5* G B1910 -23.272 31.304 4.002 1.00 0.00 C ATOM 41056 C4* G B1910 -24.546 31.203 3.185 1.00 0.00 C ATOM 41057 O4* G B1910 -24.204 30.777 1.836 1.00 0.00 O ATOM 41058 C3* G B1910 -25.558 30.158 3.657 1.00 0.00 C ATOM 41059 O3* G B1910 -26.373 30.657 4.672 1.00 0.00 O ATOM 41060 C2* G B1910 -26.331 29.861 2.375 1.00 0.00 C ATOM 41061 O2* G B1910 -27.241 30.905 2.083 1.00 0.00 O ATOM 41062 C1* G B1910 -25.225 29.931 1.327 1.00 0.00 C ATOM 41063 N9 G B1910 -24.612 28.611 1.010 1.00 0.00 N ATOM 41064 C8 G B1910 -23.379 28.112 1.381 1.00 0.00 C ATOM 41065 N7 G B1910 -23.143 26.901 0.936 1.00 0.00 N ATOM 41066 C5 G B1910 -24.296 26.576 0.223 1.00 0.00 C ATOM 41067 C6 G B1910 -24.629 25.392 -0.486 1.00 0.00 C ATOM 41068 O6 G B1910 -23.965 24.370 -0.635 1.00 0.00 O ATOM 41069 N1 G B1910 -25.904 25.483 -1.061 1.00 0.00 N ATOM 41070 C2 G B1910 -26.745 26.573 -0.969 1.00 0.00 C ATOM 41071 N2 G B1910 -27.922 26.462 -1.589 1.00 0.00 N ATOM 41072 N3 G B1910 -26.434 27.683 -0.301 1.00 0.00 N ATOM 41073 C4 G B1910 -25.199 27.614 0.264 1.00 0.00 C HETATM41074 N1 PSU B1911 -26.425 25.757 2.671 1.00 0.00 N HETATM41075 C2 PSU B1911 -26.432 24.524 2.114 1.00 0.00 C HETATM41076 N3 PSU B1911 -27.647 24.148 1.611 1.00 0.00 N HETATM41077 C4 PSU B1911 -28.813 24.887 1.613 1.00 0.00 C HETATM41078 C5 PSU B1911 -28.707 26.200 2.220 1.00 0.00 C HETATM41079 C6 PSU B1911 -27.520 26.571 2.722 1.00 0.00 C HETATM41080 O2 PSU B1911 -25.439 23.793 2.050 1.00 0.00 O HETATM41081 O4 PSU B1911 -29.852 24.459 1.142 1.00 0.00 O HETATM41082 C1* PSU B1911 -29.906 27.073 2.259 1.00 0.00 C HETATM41083 C2* PSU B1911 -30.936 26.631 3.291 1.00 0.00 C HETATM41084 O2* PSU B1911 -32.210 26.997 2.786 1.00 0.00 O HETATM41085 C3* PSU B1911 -30.562 27.498 4.494 1.00 0.00 C HETATM41086 C4* PSU B1911 -30.159 28.813 3.825 1.00 0.00 C HETATM41087 O3* PSU B1911 -31.622 27.679 5.380 1.00 0.00 O HETATM41088 O4* PSU B1911 -29.504 28.393 2.591 1.00 0.00 O HETATM41089 C5* PSU B1911 -29.204 29.688 4.612 1.00 0.00 C HETATM41090 O5* PSU B1911 -28.093 28.903 5.083 1.00 0.00 O HETATM41091 P PSU B1911 -26.888 29.638 5.838 1.00 0.00 P HETATM41092 O1P PSU B1911 -25.817 28.662 6.146 1.00 0.00 O HETATM41093 O2P PSU B1911 -27.411 30.403 6.992 1.00 0.00 O ATOM 41094 P A B1912 -30.967 27.601 7.102 1.00 0.00 P ATOM 41095 O1P A B1912 -32.012 27.918 8.100 1.00 0.00 O ATOM 41096 O2P A B1912 -29.706 28.371 7.219 1.00 0.00 O ATOM 41097 O5* A B1912 -30.612 25.805 7.031 1.00 0.00 O ATOM 41098 C5* A B1912 -30.890 24.403 7.248 1.00 0.00 C ATOM 41099 C4* A B1912 -29.753 23.463 7.945 1.00 0.00 C ATOM 41100 O4* A B1912 -28.627 23.004 7.148 1.00 0.00 O ATOM 41101 C3* A B1912 -29.200 23.531 9.365 1.00 0.00 C ATOM 41102 O3* A B1912 -30.172 23.516 10.562 1.00 0.00 O ATOM 41103 C2* A B1912 -28.249 22.334 9.394 1.00 0.00 C ATOM 41104 O2* A B1912 -28.971 21.120 9.524 1.00 0.00 O ATOM 41105 C1* A B1912 -27.675 22.359 7.982 1.00 0.00 C ATOM 41106 N9 A B1912 -26.199 23.174 7.836 1.00 0.00 N ATOM 41107 C8 A B1912 -25.962 24.427 7.312 1.00 0.00 C ATOM 41108 N7 A B1912 -24.702 24.715 7.192 1.00 0.00 N ATOM 41109 C5 A B1912 -24.054 23.586 7.666 1.00 0.00 C ATOM 41110 C6 A B1912 -22.693 23.264 7.804 1.00 0.00 C ATOM 41111 N6 A B1912 -21.697 24.093 7.459 1.00 0.00 N ATOM 41112 N1 A B1912 -22.388 22.054 8.310 1.00 0.00 N ATOM 41113 C2 A B1912 -23.381 21.232 8.649 1.00 0.00 C ATOM 41114 N3 A B1912 -24.682 21.426 8.567 1.00 0.00 N ATOM 41115 C4 A B1912 -24.957 22.641 8.060 1.00 0.00 C ATOM 41116 P A B1913 -31.445 24.817 10.722 1.00 0.00 P ATOM 41117 O1P A B1913 -32.724 24.253 11.205 1.00 0.00 O ATOM 41118 O2P A B1913 -31.529 25.674 9.522 1.00 0.00 O ATOM 41119 O5* A B1913 -30.529 25.645 12.058 1.00 0.00 O ATOM 41120 C5* A B1913 -30.370 26.338 13.303 1.00 0.00 C ATOM 41121 C4* A B1913 -29.244 25.664 14.260 1.00 0.00 C ATOM 41122 O4* A B1913 -29.694 24.740 15.293 1.00 0.00 O ATOM 41123 C3* A B1913 -27.997 24.994 13.682 1.00 0.00 C ATOM 41124 O3* A B1913 -27.097 26.027 12.972 1.00 0.00 O ATOM 41125 C2* A B1913 -27.382 24.347 14.918 1.00 0.00 C ATOM 41126 O2* A B1913 -26.729 25.317 15.721 1.00 0.00 O ATOM 41127 C1* A B1913 -28.623 23.897 15.684 1.00 0.00 C ATOM 41128 N9 A B1913 -29.079 22.292 15.407 1.00 0.00 N ATOM 41129 C8 A B1913 -29.677 21.754 14.292 1.00 0.00 C ATOM 41130 N7 A B1913 -29.742 20.458 14.300 1.00 0.00 N ATOM 41131 C5 A B1913 -29.147 20.100 15.499 1.00 0.00 C ATOM 41132 C6 A B1913 -28.904 18.859 16.104 1.00 0.00 C ATOM 41133 N6 A B1913 -29.250 17.685 15.549 1.00 0.00 N ATOM 41134 N1 A B1913 -28.292 18.857 17.302 1.00 0.00 N ATOM 41135 C2 A B1913 -27.950 20.025 17.846 1.00 0.00 C ATOM 41136 N3 A B1913 -28.127 21.244 17.381 1.00 0.00 N ATOM 41137 C4 A B1913 -28.740 21.210 16.179 1.00 0.00 C ATOM 41138 P C B1914 -26.306 25.564 11.397 1.00 0.00 P ATOM 41139 O1P C B1914 -26.288 26.706 10.458 1.00 0.00 O ATOM 41140 O2P C B1914 -26.799 24.282 10.849 1.00 0.00 O ATOM 41141 O5* C B1914 -24.709 25.381 12.242 1.00 0.00 O ATOM 41142 C5* C B1914 -23.923 25.907 13.315 1.00 0.00 C ATOM 41143 C4* C B1914 -23.284 24.751 14.255 1.00 0.00 C ATOM 41144 O4* C B1914 -24.181 23.989 15.114 1.00 0.00 O ATOM 41145 C3* C B1914 -22.314 23.700 13.713 1.00 0.00 C ATOM 41146 O3* C B1914 -21.044 24.286 13.088 1.00 0.00 O ATOM 41147 C2* C B1914 -22.154 22.770 14.914 1.00 0.00 C ATOM 41148 O2* C B1914 -21.307 23.344 15.892 1.00 0.00 O ATOM 41149 C1* C B1914 -23.565 22.772 15.494 1.00 0.00 C ATOM 41150 N1 C B1914 -24.553 21.483 14.966 1.00 0.00 N ATOM 41151 C2 C B1914 -24.204 20.191 15.354 1.00 0.00 C ATOM 41152 O2 C B1914 -23.193 20.034 16.049 1.00 0.00 O ATOM 41153 N3 C B1914 -24.986 19.153 14.956 1.00 0.00 N ATOM 41154 C4 C B1914 -26.073 19.367 14.204 1.00 0.00 C ATOM 41155 N4 C B1914 -26.804 18.325 13.842 1.00 0.00 N ATOM 41156 C5 C B1914 -26.451 20.687 13.790 1.00 0.00 C ATOM 41157 C6 C B1914 -25.658 21.706 14.200 1.00 0.00 C HETATM41158 N1 5MU B1915 -22.127 19.285 12.611 1.00 0.00 N HETATM41159 C2 5MU B1915 -22.863 18.152 12.359 1.00 0.00 C HETATM41160 N3 5MU B1915 -24.077 18.360 11.739 1.00 0.00 N HETATM41161 C4 5MU B1915 -24.605 19.576 11.356 1.00 0.00 C HETATM41162 C5 5MU B1915 -23.761 20.708 11.663 1.00 0.00 C HETATM41163 C5M 5MU B1915 -24.253 22.093 11.280 1.00 0.00 C HETATM41164 C6 5MU B1915 -22.575 20.532 12.268 1.00 0.00 C HETATM41165 O2 5MU B1915 -22.480 17.033 12.658 1.00 0.00 O HETATM41166 O4 5MU B1915 -25.707 19.634 10.804 1.00 0.00 O HETATM41167 C1* 5MU B1915 -20.811 19.102 13.284 1.00 0.00 C HETATM41168 C2* 5MU B1915 -19.730 18.531 12.368 1.00 0.00 C HETATM41169 O2* 5MU B1915 -18.850 17.781 13.187 1.00 0.00 O HETATM41170 C3* 5MU B1915 -19.051 19.804 11.867 1.00 0.00 C HETATM41171 C4* 5MU B1915 -19.095 20.701 13.101 1.00 0.00 C HETATM41172 O3* 5MU B1915 -17.964 19.855 10.899 1.00 0.00 O HETATM41173 O4* 5MU B1915 -20.368 20.375 13.729 1.00 0.00 O HETATM41174 C5* 5MU B1915 -18.957 22.198 12.821 1.00 0.00 C HETATM41175 O5* 5MU B1915 -19.758 22.633 11.710 1.00 0.00 O HETATM41176 P 5MU B1915 -20.742 23.847 11.595 1.00 0.00 P HETATM41177 O1P 5MU B1915 -21.988 23.400 10.929 1.00 0.00 O HETATM41178 O2P 5MU B1915 -20.019 24.954 10.928 1.00 0.00 O ATOM 41179 P A B1916 -18.664 20.199 9.242 1.00 0.00 P ATOM 41180 O1P A B1916 -17.868 21.128 8.409 1.00 0.00 O ATOM 41181 O2P A B1916 -20.099 20.524 9.378 1.00 0.00 O ATOM 41182 O5* A B1916 -18.355 18.475 8.767 1.00 0.00 O ATOM 41183 C5* A B1916 -18.187 17.354 9.650 1.00 0.00 C ATOM 41184 C4* A B1916 -19.319 16.213 9.459 1.00 0.00 C ATOM 41185 O4* A B1916 -20.487 16.213 10.328 1.00 0.00 O ATOM 41186 C3* A B1916 -19.878 15.842 8.084 1.00 0.00 C ATOM 41187 O3* A B1916 -18.859 15.475 7.012 1.00 0.00 O ATOM 41188 C2* A B1916 -20.969 14.843 8.447 1.00 0.00 C ATOM 41189 O2* A B1916 -20.410 13.584 8.779 1.00 0.00 O ATOM 41190 C1* A B1916 -21.522 15.438 9.738 1.00 0.00 C ATOM 41191 N9 A B1916 -22.874 16.426 9.534 1.00 0.00 N ATOM 41192 C8 A B1916 -22.915 17.769 9.231 1.00 0.00 C ATOM 41193 N7 A B1916 -24.108 18.216 8.977 1.00 0.00 N ATOM 41194 C5 A B1916 -24.924 17.103 9.128 1.00 0.00 C ATOM 41195 C6 A B1916 -26.308 16.920 8.997 1.00 0.00 C ATOM 41196 N6 A B1916 -27.157 17.903 8.672 1.00 0.00 N ATOM 41197 N1 A B1916 -26.790 15.684 9.215 1.00 0.00 N ATOM 41198 C2 A B1916 -25.944 14.710 9.536 1.00 0.00 C ATOM 41199 N3 A B1916 -24.636 14.759 9.687 1.00 0.00 N ATOM 41200 C4 A B1916 -24.177 16.008 9.464 1.00 0.00 C HETATM41201 N1 PSU B1917 -23.047 16.693 6.259 1.00 0.00 N HETATM41202 C2 PSU B1917 -24.367 16.975 6.187 1.00 0.00 C HETATM41203 N3 PSU B1917 -25.159 15.883 5.965 1.00 0.00 N HETATM41204 C4 PSU B1917 -24.744 14.572 5.815 1.00 0.00 C HETATM41205 C5 PSU B1917 -23.312 14.366 5.914 1.00 0.00 C HETATM41206 C6 PSU B1917 -22.533 15.433 6.129 1.00 0.00 C HETATM41207 O2 PSU B1917 -24.837 18.108 6.321 1.00 0.00 O HETATM41208 O4 PSU B1917 -25.534 13.665 5.610 1.00 0.00 O HETATM41209 C1* PSU B1917 -22.749 13.103 5.283 1.00 0.00 C HETATM41210 C2* PSU B1917 -22.827 13.064 3.759 1.00 0.00 C HETATM41211 O2* PSU B1917 -22.977 11.705 3.392 1.00 0.00 O HETATM41212 C3* PSU B1917 -21.450 13.582 3.361 1.00 0.00 C HETATM41213 C4* PSU B1917 -20.554 12.969 4.437 1.00 0.00 C HETATM41214 O3* PSU B1917 -20.985 13.140 2.044 1.00 0.00 O HETATM41215 O4* PSU B1917 -21.378 13.000 5.639 1.00 0.00 O HETATM41216 C5* PSU B1917 -19.220 13.697 4.644 1.00 0.00 C HETATM41217 O5* PSU B1917 -19.343 15.130 4.576 1.00 0.00 O HETATM41218 P PSU B1917 -19.062 16.247 5.641 1.00 0.00 P HETATM41219 O1P PSU B1917 -20.246 17.127 5.747 1.00 0.00 O HETATM41220 O2P PSU B1917 -17.793 16.917 5.288 1.00 0.00 O ATOM 41221 P A B1918 -21.868 13.861 0.622 1.00 0.00 P ATOM 41222 O1P A B1918 -21.010 13.951 -0.586 1.00 0.00 O ATOM 41223 O2P A B1918 -22.600 15.095 0.983 1.00 0.00 O ATOM 41224 O5* A B1918 -22.938 12.397 0.565 1.00 0.00 O ATOM 41225 C5* A B1918 -23.966 11.452 0.270 1.00 0.00 C ATOM 41226 C4* A B1918 -25.447 12.115 0.277 1.00 0.00 C ATOM 41227 O4* A B1918 -26.063 12.398 1.567 1.00 0.00 O ATOM 41228 C3* A B1918 -25.851 13.300 -0.596 1.00 0.00 C ATOM 41229 O3* A B1918 -25.730 13.009 -2.093 1.00 0.00 O ATOM 41230 C2* A B1918 -27.265 13.600 -0.099 1.00 0.00 C ATOM 41231 O2* A B1918 -28.188 12.653 -0.607 1.00 0.00 O ATOM 41232 C1* A B1918 -27.129 13.320 1.397 1.00 0.00 C ATOM 41233 N9 A B1918 -26.810 14.677 2.338 1.00 0.00 N ATOM 41234 C8 A B1918 -25.592 15.164 2.748 1.00 0.00 C ATOM 41235 N7 A B1918 -25.675 16.136 3.602 1.00 0.00 N ATOM 41236 C5 A B1918 -27.039 16.317 3.775 1.00 0.00 C ATOM 41237 C6 A B1918 -27.784 17.207 4.566 1.00 0.00 C ATOM 41238 N6 A B1918 -27.229 18.126 5.371 1.00 0.00 N ATOM 41239 N1 A B1918 -29.123 17.114 4.502 1.00 0.00 N ATOM 41240 C2 A B1918 -29.670 16.199 3.706 1.00 0.00 C ATOM 41241 N3 A B1918 -29.083 15.319 2.926 1.00 0.00 N ATOM 41242 C4 A B1918 -27.737 15.429 3.007 1.00 0.00 C ATOM 41243 P A B1919 -24.920 14.189 -3.227 1.00 0.00 P ATOM 41244 O1P A B1919 -24.696 13.452 -4.489 1.00 0.00 O ATOM 41245 O2P A B1919 -23.770 14.973 -2.725 1.00 0.00 O ATOM 41246 O5* A B1919 -26.201 15.141 -3.376 1.00 0.00 O ATOM 41247 C5* A B1919 -27.458 14.559 -3.769 1.00 0.00 C ATOM 41248 C4* A B1919 -28.549 15.612 -3.726 1.00 0.00 C ATOM 41249 O4* A B1919 -28.780 15.994 -2.338 1.00 0.00 O ATOM 41250 C3* A B1919 -28.229 16.934 -4.425 1.00 0.00 C ATOM 41251 O3* A B1919 -28.489 16.865 -5.791 1.00 0.00 O ATOM 41252 C2* A B1919 -29.145 17.911 -3.695 1.00 0.00 C ATOM 41253 O2* A B1919 -30.484 17.771 -4.141 1.00 0.00 O ATOM 41254 C1* A B1919 -29.095 17.376 -2.267 1.00 0.00 C ATOM 41255 N9 A B1919 -28.066 18.037 -1.417 1.00 0.00 N ATOM 41256 C8 A B1919 -26.855 17.551 -0.984 1.00 0.00 C ATOM 41257 N7 A B1919 -26.185 18.383 -0.247 1.00 0.00 N ATOM 41258 C5 A B1919 -27.001 19.504 -0.180 1.00 0.00 C ATOM 41259 C6 A B1919 -26.853 20.745 0.458 1.00 0.00 C ATOM 41260 N6 A B1919 -25.780 21.079 1.187 1.00 0.00 N ATOM 41261 N1 A B1919 -27.857 21.634 0.322 1.00 0.00 N ATOM 41262 C2 A B1919 -28.921 21.296 -0.405 1.00 0.00 C ATOM 41263 N3 A B1919 -29.165 20.174 -1.043 1.00 0.00 N ATOM 41264 C4 A B1919 -28.150 19.300 -0.891 1.00 0.00 C ATOM 41265 P C B1920 -27.535 17.712 -6.815 1.00 0.00 P ATOM 41266 O1P C B1920 -27.728 17.235 -8.201 1.00 0.00 O ATOM 41267 O2P C B1920 -26.142 17.696 -6.315 1.00 0.00 O ATOM 41268 O5* C B1920 -28.153 19.178 -6.655 1.00 0.00 O ATOM 41269 C5* C B1920 -29.533 19.397 -7.002 1.00 0.00 C ATOM 41270 C4* C B1920 -29.937 20.817 -6.659 1.00 0.00 C ATOM 41271 O4* C B1920 -29.931 20.972 -5.211 1.00 0.00 O ATOM 41272 C3* C B1920 -28.990 21.914 -7.149 1.00 0.00 C ATOM 41273 O3* C B1920 -29.261 22.268 -8.469 1.00 0.00 O ATOM 41274 C2* C B1920 -29.278 23.047 -6.165 1.00 0.00 C ATOM 41275 O2* C B1920 -30.505 23.686 -6.480 1.00 0.00 O ATOM 41276 C1* C B1920 -29.497 22.276 -4.867 1.00 0.00 C ATOM 41277 N1 C B1920 -28.270 22.151 -4.031 1.00 0.00 N ATOM 41278 C2 C B1920 -27.832 23.281 -3.347 1.00 0.00 C ATOM 41279 O2 C B1920 -28.476 24.332 -3.457 1.00 0.00 O ATOM 41280 N3 C B1920 -26.716 23.186 -2.582 1.00 0.00 N ATOM 41281 C4 C B1920 -26.048 22.028 -2.485 1.00 0.00 C ATOM 41282 N4 C B1920 -24.966 21.988 -1.727 1.00 0.00 N ATOM 41283 C5 C B1920 -26.481 20.856 -3.183 1.00 0.00 C ATOM 41284 C6 C B1920 -27.599 20.970 -3.946 1.00 0.00 C ATOM 41285 P G B1921 -28.018 22.715 -9.431 1.00 0.00 P ATOM 41286 O1P G B1921 -28.434 22.692 -10.850 1.00 0.00 O ATOM 41287 O2P G B1921 -26.823 21.910 -9.096 1.00 0.00 O ATOM 41288 O5* G B1921 -27.801 24.230 -8.954 1.00 0.00 O ATOM 41289 C5* G B1921 -28.880 25.168 -9.104 1.00 0.00 C ATOM 41290 C4* G B1921 -28.500 26.495 -8.481 1.00 0.00 C ATOM 41291 O4* G B1921 -28.408 26.327 -7.035 1.00 0.00 O ATOM 41292 C3* G B1921 -27.132 27.051 -8.875 1.00 0.00 C ATOM 41293 O3* G B1921 -27.192 27.752 -10.076 1.00 0.00 O ATOM 41294 C2* G B1921 -26.796 27.948 -7.684 1.00 0.00 C ATOM 41295 O2* G B1921 -27.528 29.161 -7.747 1.00 0.00 O ATOM 41296 C1* G B1921 -27.365 27.142 -6.522 1.00 0.00 C ATOM 41297 N9 G B1921 -26.369 26.256 -5.860 1.00 0.00 N ATOM 41298 C8 G B1921 -26.238 24.886 -5.937 1.00 0.00 C ATOM 41299 N7 G B1921 -25.247 24.406 -5.227 1.00 0.00 N ATOM 41300 C5 G B1921 -24.678 25.537 -4.641 1.00 0.00 C ATOM 41301 C6 G B1921 -23.568 25.652 -3.766 1.00 0.00 C ATOM 41302 O6 G B1921 -22.844 24.766 -3.318 1.00 0.00 O ATOM 41303 N1 G B1921 -23.335 26.988 -3.411 1.00 0.00 N ATOM 41304 C2 G B1921 -24.073 28.071 -3.846 1.00 0.00 C ATOM 41305 N2 G B1921 -23.688 29.265 -3.398 1.00 0.00 N ATOM 41306 N3 G B1921 -25.113 27.959 -4.670 1.00 0.00 N ATOM 41307 C4 G B1921 -25.358 26.669 -5.023 1.00 0.00 C ATOM 41308 P G B1922 -25.901 27.709 -11.076 1.00 0.00 P ATOM 41309 O1P G B1922 -26.282 28.187 -12.425 1.00 0.00 O ATOM 41310 O2P G B1922 -25.282 26.366 -11.020 1.00 0.00 O ATOM 41311 O5* G B1922 -24.939 28.777 -10.375 1.00 0.00 O ATOM 41312 C5* G B1922 -25.391 30.138 -10.237 1.00 0.00 C ATOM 41313 C4* G B1922 -24.385 30.941 -9.439 1.00 0.00 C ATOM 41314 O4* G B1922 -24.381 30.459 -8.067 1.00 0.00 O ATOM 41315 C3* G B1922 -22.926 30.810 -9.882 1.00 0.00 C ATOM 41316 O3* G B1922 -22.630 31.676 -10.930 1.00 0.00 O ATOM 41317 C2* G B1922 -22.172 31.155 -8.601 1.00 0.00 C ATOM 41318 O2* G B1922 -22.184 32.554 -8.371 1.00 0.00 O ATOM 41319 C1* G B1922 -23.065 30.523 -7.536 1.00 0.00 C ATOM 41320 N9 G B1922 -22.655 29.143 -7.154 1.00 0.00 N ATOM 41321 C8 G B1922 -23.241 27.939 -7.477 1.00 0.00 C ATOM 41322 N7 G B1922 -22.627 26.894 -6.976 1.00 0.00 N ATOM 41323 C5 G B1922 -21.557 27.448 -6.269 1.00 0.00 C ATOM 41324 C6 G B1922 -20.538 26.814 -5.514 1.00 0.00 C ATOM 41325 O6 G B1922 -20.363 25.616 -5.307 1.00 0.00 O ATOM 41326 N1 G B1922 -19.652 27.750 -4.963 1.00 0.00 N ATOM 41327 C2 G B1922 -19.741 29.119 -5.122 1.00 0.00 C ATOM 41328 N2 G B1922 -18.797 29.844 -4.515 1.00 0.00 N ATOM 41329 N3 G B1922 -20.698 29.713 -5.830 1.00 0.00 N ATOM 41330 C4 G B1922 -21.569 28.818 -6.373 1.00 0.00 C ATOM 41331 P U B1923 -21.550 31.204 -12.059 1.00 0.00 P ATOM 41332 O1P U B1923 -21.642 32.071 -13.255 1.00 0.00 O ATOM 41333 O2P U B1923 -21.700 29.751 -12.304 1.00 0.00 O ATOM 41334 O5* U B1923 -20.173 31.484 -11.293 1.00 0.00 O ATOM 41335 C5* U B1923 -19.867 32.827 -10.875 1.00 0.00 C ATOM 41336 C4* U B1923 -18.585 32.839 -10.065 1.00 0.00 C ATOM 41337 O4* U B1923 -18.818 32.148 -8.805 1.00 0.00 O ATOM 41338 C3* U B1923 -17.401 32.092 -10.682 1.00 0.00 C ATOM 41339 O3* U B1923 -16.710 32.891 -11.591 1.00 0.00 O ATOM 41340 C2* U B1923 -16.567 31.748 -9.451 1.00 0.00 C ATOM 41341 O2* U B1923 -15.866 32.886 -8.981 1.00 0.00 O ATOM 41342 C1* U B1923 -17.650 31.443 -8.421 1.00 0.00 C ATOM 41343 N1 U B1923 -17.998 29.995 -8.328 1.00 0.00 N ATOM 41344 C2 U B1923 -17.092 29.173 -7.702 1.00 0.00 C ATOM 41345 O2 U B1923 -16.042 29.580 -7.231 1.00 0.00 O ATOM 41346 N3 U B1923 -17.448 27.841 -7.634 1.00 0.00 N ATOM 41347 C4 U B1923 -18.605 27.274 -8.132 1.00 0.00 C ATOM 41348 O4 U B1923 -18.813 26.066 -8.011 1.00 0.00 O ATOM 41349 C5 U B1923 -19.491 28.216 -8.774 1.00 0.00 C ATOM 41350 C6 U B1923 -19.171 29.519 -8.852 1.00 0.00 C ATOM 41351 P C B1924 -16.031 32.184 -12.897 1.00 0.00 P ATOM 41352 O1P C B1924 -15.678 33.207 -13.906 1.00 0.00 O ATOM 41353 O2P C B1924 -16.901 31.085 -13.372 1.00 0.00 O ATOM 41354 O5* C B1924 -14.699 31.580 -12.249 1.00 0.00 O ATOM 41355 C5* C B1924 -13.747 32.475 -11.643 1.00 0.00 C ATOM 41356 C4* C B1924 -12.634 31.682 -10.990 1.00 0.00 C ATOM 41357 O4* C B1924 -13.176 30.957 -9.848 1.00 0.00 O ATOM 41358 C3* C B1924 -11.998 30.589 -11.852 1.00 0.00 C ATOM 41359 O3* C B1924 -11.004 31.107 -12.680 1.00 0.00 O ATOM 41360 C2* C B1924 -11.446 29.632 -10.797 1.00 0.00 C ATOM 41361 O2* C B1924 -10.259 30.145 -10.221 1.00 0.00 O ATOM 41362 C1* C B1924 -12.529 29.703 -9.722 1.00 0.00 C ATOM 41363 N1 C B1924 -13.562 28.637 -9.844 1.00 0.00 N ATOM 41364 C2 C B1924 -13.208 27.344 -9.469 1.00 0.00 C ATOM 41365 O2 C B1924 -12.063 27.135 -9.059 1.00 0.00 O ATOM 41366 N3 C B1924 -14.135 26.359 -9.576 1.00 0.00 N ATOM 41367 C4 C B1924 -15.370 26.626 -10.024 1.00 0.00 C ATOM 41368 N4 C B1924 -16.237 25.630 -10.109 1.00 0.00 N ATOM 41369 C5 C B1924 -15.754 27.950 -10.414 1.00 0.00 C ATOM 41370 C6 C B1924 -14.811 28.919 -10.305 1.00 0.00 C ATOM 41371 P C B1925 -10.499 29.692 -13.824 1.00 0.00 P ATOM 41372 O1P C B1925 -9.188 29.145 -13.393 1.00 0.00 O ATOM 41373 O2P C B1925 -10.561 30.180 -15.225 1.00 0.00 O ATOM 41374 O5* C B1925 -11.808 28.371 -13.568 1.00 0.00 O ATOM 41375 C5* C B1925 -12.520 27.040 -13.623 1.00 0.00 C ATOM 41376 C4* C B1925 -13.857 26.742 -14.635 1.00 0.00 C ATOM 41377 O4* C B1925 -13.895 27.520 -15.867 1.00 0.00 O ATOM 41378 C3* C B1925 -15.327 26.558 -14.268 1.00 0.00 C ATOM 41379 O3* C B1925 -16.230 25.225 -14.440 1.00 0.00 O ATOM 41380 C2* C B1925 -15.937 27.892 -14.709 1.00 0.00 C ATOM 41381 O2* C B1925 -15.626 28.916 -13.782 1.00 0.00 O ATOM 41382 C1* C B1925 -15.144 28.182 -15.980 1.00 0.00 C ATOM 41383 N1 C B1925 -14.851 29.822 -16.269 1.00 0.00 N ATOM 41384 C2 C B1925 -13.794 30.424 -15.589 1.00 0.00 C ATOM 41385 O2 C B1925 -13.131 29.745 -14.794 1.00 0.00 O ATOM 41386 N3 C B1925 -13.528 31.734 -15.829 1.00 0.00 N ATOM 41387 C4 C B1925 -14.268 32.432 -16.697 1.00 0.00 C ATOM 41388 N4 C B1925 -13.966 33.708 -16.891 1.00 0.00 N ATOM 41389 C5 C B1925 -15.354 31.831 -17.407 1.00 0.00 C ATOM 41390 C6 C B1925 -15.607 30.525 -17.158 1.00 0.00 C ATOM 41391 P U B1926 -16.117 23.945 -13.082 1.00 0.00 P ATOM 41392 O1P U B1926 -16.815 24.347 -11.837 1.00 0.00 O ATOM 41393 O2P U B1926 -14.655 23.757 -12.978 1.00 0.00 O ATOM 41394 O5* U B1926 -16.970 22.348 -13.582 1.00 0.00 O ATOM 41395 C5* U B1926 -16.668 21.081 -12.839 1.00 0.00 C ATOM 41396 C4* U B1926 -17.722 19.948 -12.264 1.00 0.00 C ATOM 41397 O4* U B1926 -18.656 20.181 -11.169 1.00 0.00 O ATOM 41398 C3* U B1926 -18.430 18.899 -13.127 1.00 0.00 C ATOM 41399 O3* U B1926 -17.412 18.207 -14.073 1.00 0.00 O ATOM 41400 C2* U B1926 -19.128 18.040 -12.071 1.00 0.00 C ATOM 41401 O2* U B1926 -18.199 17.178 -11.435 1.00 0.00 O ATOM 41402 C1* U B1926 -19.545 19.087 -11.049 1.00 0.00 C ATOM 41403 N1 U B1926 -21.135 19.666 -11.232 1.00 0.00 N ATOM 41404 C2 U B1926 -22.057 19.268 -10.291 1.00 0.00 C ATOM 41405 O2 U B1926 -21.798 18.466 -9.407 1.00 0.00 O ATOM 41406 N3 U B1926 -23.310 19.835 -10.414 1.00 0.00 N ATOM 41407 C4 U B1926 -23.704 20.745 -11.372 1.00 0.00 C ATOM 41408 O4 U B1926 -24.857 21.183 -11.382 1.00 0.00 O ATOM 41409 C5 U B1926 -22.669 21.100 -12.314 1.00 0.00 C ATOM 41410 C6 U B1926 -21.445 20.565 -12.218 1.00 0.00 C ATOM 41411 P A B1927 -16.589 16.585 -13.683 1.00 0.00 P ATOM 41412 O1P A B1927 -15.335 16.462 -14.458 1.00 0.00 O ATOM 41413 O2P A B1927 -17.576 15.497 -13.868 1.00 0.00 O ATOM 41414 O5* A B1927 -16.139 16.832 -11.905 1.00 0.00 O ATOM 41415 C5* A B1927 -15.659 16.875 -10.501 1.00 0.00 C ATOM 41416 C4* A B1927 -13.977 16.945 -10.497 1.00 0.00 C ATOM 41417 O4* A B1927 -13.775 17.383 -11.872 1.00 0.00 O ATOM 41418 C3* A B1927 -13.144 17.922 -9.669 1.00 0.00 C ATOM 41419 O3* A B1927 -12.554 16.613 -8.333 1.00 0.00 O ATOM 41420 C2* A B1927 -11.938 18.159 -10.574 1.00 0.00 C ATOM 41421 O2* A B1927 -11.053 17.048 -10.533 1.00 0.00 O ATOM 41422 C1* A B1927 -12.588 18.153 -11.954 1.00 0.00 C ATOM 41423 N9 A B1927 -12.975 19.639 -12.541 1.00 0.00 N ATOM 41424 C8 A B1927 -13.339 20.762 -11.842 1.00 0.00 C ATOM 41425 N7 A B1927 -13.749 21.740 -12.590 1.00 0.00 N ATOM 41426 C5 A B1927 -13.652 21.235 -13.880 1.00 0.00 C ATOM 41427 C6 A B1927 -13.941 21.789 -15.140 1.00 0.00 C ATOM 41428 N6 A B1927 -14.407 23.035 -15.307 1.00 0.00 N ATOM 41429 N1 A B1927 -13.731 21.016 -16.217 1.00 0.00 N ATOM 41430 C2 A B1927 -13.266 19.780 -16.045 1.00 0.00 C ATOM 41431 N3 A B1927 -12.963 19.155 -14.920 1.00 0.00 N ATOM 41432 C4 A B1927 -13.181 19.954 -13.857 1.00 0.00 C ATOM 41433 P A B1928 -11.887 14.642 -7.744 1.00 0.00 P ATOM 41434 O1P A B1928 -12.905 14.442 -6.692 1.00 0.00 O ATOM 41435 O2P A B1928 -10.484 14.453 -7.322 1.00 0.00 O ATOM 41436 O5* A B1928 -12.500 12.970 -8.575 1.00 0.00 O ATOM 41437 C5* A B1928 -13.281 11.648 -8.798 1.00 0.00 C ATOM 41438 C4* A B1928 -14.767 10.847 -8.721 1.00 0.00 C ATOM 41439 O4* A B1928 -16.044 11.387 -8.278 1.00 0.00 O ATOM 41440 C3* A B1928 -15.129 9.974 -9.922 1.00 0.00 C ATOM 41441 O3* A B1928 -14.118 9.265 -10.748 1.00 0.00 O ATOM 41442 C2* A B1928 -16.475 9.394 -9.500 1.00 0.00 C ATOM 41443 O2* A B1928 -16.303 8.360 -8.550 1.00 0.00 O ATOM 41444 C1* A B1928 -17.102 10.573 -8.765 1.00 0.00 C ATOM 41445 N9 A B1928 -18.107 11.524 -9.704 1.00 0.00 N ATOM 41446 C8 A B1928 -18.122 11.659 -11.076 1.00 0.00 C ATOM 41447 N7 A B1928 -18.911 12.598 -11.501 1.00 0.00 N ATOM 41448 C5 A B1928 -19.462 13.127 -10.343 1.00 0.00 C ATOM 41449 C6 A B1928 -20.380 14.165 -10.120 1.00 0.00 C ATOM 41450 N6 A B1928 -20.934 14.881 -11.108 1.00 0.00 N ATOM 41451 N1 A B1928 -20.710 14.435 -8.847 1.00 0.00 N ATOM 41452 C2 A B1928 -20.157 13.715 -7.876 1.00 0.00 C ATOM 41453 N3 A B1928 -19.290 12.728 -7.957 1.00 0.00 N ATOM 41454 C4 A B1928 -18.975 12.478 -9.244 1.00 0.00 C ATOM 41455 P G B1929 -13.833 7.488 -10.587 1.00 0.00 P ATOM 41456 O1P G B1929 -14.907 6.556 -10.991 1.00 0.00 O ATOM 41457 O2P G B1929 -13.249 7.260 -9.251 1.00 0.00 O ATOM 41458 O5* G B1929 -12.611 7.635 -11.939 1.00 0.00 O ATOM 41459 C5* G B1929 -11.262 7.715 -12.485 1.00 0.00 C ATOM 41460 C4* G B1929 -10.932 6.441 -13.446 1.00 0.00 C ATOM 41461 O4* G B1929 -11.016 6.807 -14.856 1.00 0.00 O ATOM 41462 C3* G B1929 -9.715 5.518 -13.379 1.00 0.00 C ATOM 41463 O3* G B1929 -9.744 4.440 -12.235 1.00 0.00 O ATOM 41464 C2* G B1929 -9.812 4.766 -14.703 1.00 0.00 C ATOM 41465 O2* G B1929 -10.821 3.769 -14.644 1.00 0.00 O ATOM 41466 C1* G B1929 -10.315 5.854 -15.641 1.00 0.00 C ATOM 41467 N9 G B1929 -9.076 6.678 -16.517 1.00 0.00 N ATOM 41468 C8 G B1929 -8.035 7.444 -16.038 1.00 0.00 C ATOM 41469 N7 G B1929 -7.307 8.001 -16.977 1.00 0.00 N ATOM 41470 C5 G B1929 -7.911 7.578 -18.161 1.00 0.00 C ATOM 41471 C6 G B1929 -7.574 7.855 -19.507 1.00 0.00 C ATOM 41472 O6 G B1929 -6.658 8.548 -19.947 1.00 0.00 O ATOM 41473 N1 G B1929 -8.452 7.223 -20.399 1.00 0.00 N ATOM 41474 C2 G B1929 -9.518 6.423 -20.029 1.00 0.00 C ATOM 41475 N2 G B1929 -10.236 5.912 -21.030 1.00 0.00 N ATOM 41476 N3 G B1929 -9.833 6.164 -18.766 1.00 0.00 N ATOM 41477 C4 G B1929 -8.996 6.770 -17.887 1.00 0.00 C ATOM 41478 P G B1930 -11.152 4.573 -11.046 1.00 0.00 P ATOM 41479 O1P G B1930 -11.514 6.008 -11.124 1.00 0.00 O ATOM 41480 O2P G B1930 -10.909 4.044 -9.682 1.00 0.00 O ATOM 41481 O5* G B1930 -12.451 3.632 -11.987 1.00 0.00 O ATOM 41482 C5* G B1930 -13.938 3.623 -11.928 1.00 0.00 C ATOM 41483 C4* G B1930 -14.910 2.961 -13.105 1.00 0.00 C ATOM 41484 O4* G B1930 -14.394 3.302 -14.426 1.00 0.00 O ATOM 41485 C3* G B1930 -15.282 1.484 -13.216 1.00 0.00 C ATOM 41486 O3* G B1930 -16.521 1.078 -12.329 1.00 0.00 O ATOM 41487 C2* G B1930 -15.798 1.393 -14.649 1.00 0.00 C ATOM 41488 O2* G B1930 -17.105 1.936 -14.746 1.00 0.00 O ATOM 41489 C1* G B1930 -14.868 2.357 -15.376 1.00 0.00 C ATOM 41490 N9 G B1930 -13.535 1.630 -16.113 1.00 0.00 N ATOM 41491 C8 G B1930 -12.966 0.399 -15.862 1.00 0.00 C ATOM 41492 N7 G B1930 -11.850 0.183 -16.518 1.00 0.00 N ATOM 41493 C5 G B1930 -11.667 1.353 -17.258 1.00 0.00 C ATOM 41494 C6 G B1930 -10.633 1.713 -18.160 1.00 0.00 C ATOM 41495 O6 G B1930 -9.647 1.063 -18.503 1.00 0.00 O ATOM 41496 N1 G B1930 -10.838 2.993 -18.691 1.00 0.00 N ATOM 41497 C2 G B1930 -11.901 3.819 -18.388 1.00 0.00 C ATOM 41498 N2 G B1930 -11.918 5.008 -18.999 1.00 0.00 N ATOM 41499 N3 G B1930 -12.874 3.483 -17.541 1.00 0.00 N ATOM 41500 C4 G B1930 -12.689 2.240 -17.013 1.00 0.00 C ATOM 41501 P U B1931 -17.779 2.362 -11.962 1.00 0.00 P ATOM 41502 O1P U B1931 -19.193 1.922 -12.026 1.00 0.00 O ATOM 41503 O2P U B1931 -17.475 3.652 -12.622 1.00 0.00 O ATOM 41504 O5* U B1931 -17.148 2.204 -10.278 1.00 0.00 O ATOM 41505 C5* U B1931 -17.271 1.028 -9.435 1.00 0.00 C ATOM 41506 C4* U B1931 -18.772 0.978 -9.283 1.00 0.00 C ATOM 41507 O4* U B1931 -19.486 0.177 -8.300 1.00 0.00 O ATOM 41508 C3* U B1931 -19.541 2.302 -9.314 1.00 0.00 C ATOM 41509 O3* U B1931 -18.504 3.663 -8.961 1.00 0.00 O ATOM 41510 C2* U B1931 -20.984 1.837 -9.116 1.00 0.00 C ATOM 41511 O2* U B1931 -21.500 1.280 -10.310 1.00 0.00 O ATOM 41512 C1* U B1931 -20.803 0.686 -8.129 1.00 0.00 C ATOM 41513 N1 U B1931 -21.883 -0.578 -8.325 1.00 0.00 N ATOM 41514 C2 U B1931 -23.148 -0.259 -8.763 1.00 0.00 C ATOM 41515 O2 U B1931 -23.535 0.894 -8.886 1.00 0.00 O ATOM 41516 N3 U B1931 -23.962 -1.328 -9.058 1.00 0.00 N ATOM 41517 C4 U B1931 -23.631 -2.666 -8.956 1.00 0.00 C ATOM 41518 O4 U B1931 -24.452 -3.539 -9.248 1.00 0.00 O ATOM 41519 C5 U B1931 -22.286 -2.901 -8.486 1.00 0.00 C ATOM 41520 C6 U B1931 -21.474 -1.880 -8.190 1.00 0.00 C ATOM 41521 P A B1932 -16.780 4.672 -9.327 1.00 0.00 P ATOM 41522 O1P A B1932 -17.032 5.899 -8.538 1.00 0.00 O ATOM 41523 O2P A B1932 -16.666 4.856 -10.789 1.00 0.00 O ATOM 41524 O5* A B1932 -14.855 4.586 -8.656 1.00 0.00 O ATOM 41525 C5* A B1932 -13.172 4.962 -8.461 1.00 0.00 C ATOM 41526 C4* A B1932 -11.873 5.523 -7.278 1.00 0.00 C ATOM 41527 O4* A B1932 -11.113 6.712 -7.643 1.00 0.00 O ATOM 41528 C3* A B1932 -11.387 5.200 -5.865 1.00 0.00 C ATOM 41529 O3* A B1932 -12.072 5.835 -4.503 1.00 0.00 O ATOM 41530 C2* A B1932 -9.909 5.579 -5.939 1.00 0.00 C ATOM 41531 O2* A B1932 -9.168 4.592 -6.637 1.00 0.00 O ATOM 41532 C1* A B1932 -9.954 6.810 -6.836 1.00 0.00 C ATOM 41533 N9 A B1932 -10.004 8.281 -6.009 1.00 0.00 N ATOM 41534 C8 A B1932 -11.016 9.212 -5.981 1.00 0.00 C ATOM 41535 N7 A B1932 -10.795 10.201 -5.173 1.00 0.00 N ATOM 41536 C5 A B1932 -9.553 9.918 -4.623 1.00 0.00 C ATOM 41537 C6 A B1932 -8.756 10.593 -3.688 1.00 0.00 C ATOM 41538 N6 A B1932 -9.106 11.753 -3.110 1.00 0.00 N ATOM 41539 N1 A B1932 -7.575 10.035 -3.364 1.00 0.00 N ATOM 41540 C2 A B1932 -7.228 8.884 -3.940 1.00 0.00 C ATOM 41541 N3 A B1932 -7.887 8.169 -4.825 1.00 0.00 N ATOM 41542 C4 A B1932 -9.063 8.748 -5.127 1.00 0.00 C ATOM 41543 P G B1933 -11.837 6.094 -2.679 1.00 0.00 P ATOM 41544 O1P G B1933 -11.736 7.556 -2.499 1.00 0.00 O ATOM 41545 O2P G B1933 -10.786 5.286 -2.021 1.00 0.00 O ATOM 41546 O5* G B1933 -13.529 5.448 -2.160 1.00 0.00 O ATOM 41547 C5* G B1933 -14.613 4.328 -2.139 1.00 0.00 C ATOM 41548 C4* G B1933 -16.275 4.192 -2.521 1.00 0.00 C ATOM 41549 O4* G B1933 -17.027 4.813 -1.437 1.00 0.00 O ATOM 41550 C3* G B1933 -16.709 4.976 -3.761 1.00 0.00 C ATOM 41551 O3* G B1933 -16.278 3.729 -4.936 1.00 0.00 O ATOM 41552 C2* G B1933 -18.182 5.257 -3.467 1.00 0.00 C ATOM 41553 O2* G B1933 -18.962 4.098 -3.686 1.00 0.00 O ATOM 41554 C1* G B1933 -18.151 5.500 -1.963 1.00 0.00 C ATOM 41555 N9 G B1933 -18.036 7.200 -1.490 1.00 0.00 N ATOM 41556 C8 G B1933 -17.025 8.099 -1.725 1.00 0.00 C ATOM 41557 N7 G B1933 -17.281 9.318 -1.302 1.00 0.00 N ATOM 41558 C5 G B1933 -18.557 9.209 -0.744 1.00 0.00 C ATOM 41559 C6 G B1933 -19.368 10.195 -0.127 1.00 0.00 C ATOM 41560 O6 G B1933 -19.125 11.383 0.060 1.00 0.00 O ATOM 41561 N1 G B1933 -20.589 9.655 0.299 1.00 0.00 N ATOM 41562 C2 G B1933 -20.976 8.338 0.147 1.00 0.00 C ATOM 41563 N2 G B1933 -22.183 8.025 0.620 1.00 0.00 N ATOM 41564 N3 G B1933 -20.215 7.416 -0.436 1.00 0.00 N ATOM 41565 C4 G B1933 -19.023 7.923 -0.853 1.00 0.00 C ATOM 41566 P C B1934 -15.420 1.932 -5.148 1.00 0.00 P ATOM 41567 O1P C B1934 -16.426 1.095 -5.839 1.00 0.00 O ATOM 41568 O2P C B1934 -15.092 1.530 -3.763 1.00 0.00 O ATOM 41569 O5* C B1934 -13.829 1.668 -6.427 1.00 0.00 O ATOM 41570 C5* C B1934 -12.380 1.756 -7.493 1.00 0.00 C ATOM 41571 C4* C B1934 -11.676 1.314 -9.204 1.00 0.00 C ATOM 41572 O4* C B1934 -10.924 1.956 -10.273 1.00 0.00 O ATOM 41573 C3* C B1934 -11.953 -0.096 -9.745 1.00 0.00 C ATOM 41574 O3* C B1934 -13.358 0.081 -8.840 1.00 0.00 O ATOM 41575 C2* C B1934 -12.170 0.172 -11.232 1.00 0.00 C ATOM 41576 O2* C B1934 -13.450 0.727 -11.462 1.00 0.00 O ATOM 41577 C1* C B1934 -11.149 1.281 -11.497 1.00 0.00 C ATOM 41578 N1 C B1934 -9.587 0.718 -12.125 1.00 0.00 N ATOM 41579 C2 C B1934 -9.393 0.748 -13.504 1.00 0.00 C ATOM 41580 O2 C B1934 -10.323 1.113 -14.229 1.00 0.00 O ATOM 41581 N3 C B1934 -8.185 0.374 -14.000 1.00 0.00 N ATOM 41582 C4 C B1934 -7.201 -0.014 -13.180 1.00 0.00 C ATOM 41583 N4 C B1934 -6.041 -0.367 -13.717 1.00 0.00 N ATOM 41584 C5 C B1934 -7.379 -0.053 -11.762 1.00 0.00 C ATOM 41585 C6 C B1934 -8.591 0.321 -11.284 1.00 0.00 C ATOM 41586 P G B1935 -14.563 1.523 -9.168 1.00 0.00 P ATOM 41587 O1P G B1935 -15.337 0.946 -10.290 1.00 0.00 O ATOM 41588 O2P G B1935 -13.882 2.802 -9.449 1.00 0.00 O ATOM 41589 O5* G B1935 -15.710 1.854 -7.765 1.00 0.00 O ATOM 41590 C5* G B1935 -16.308 3.130 -7.346 1.00 0.00 C ATOM 41591 C4* G B1935 -17.894 3.188 -6.914 1.00 0.00 C ATOM 41592 O4* G B1935 -18.437 1.841 -6.772 1.00 0.00 O ATOM 41593 C3* G B1935 -18.432 3.938 -5.698 1.00 0.00 C ATOM 41594 O3* G B1935 -18.269 5.427 -6.361 1.00 0.00 O ATOM 41595 C2* G B1935 -19.826 3.325 -5.539 1.00 0.00 C ATOM 41596 O2* G B1935 -20.719 3.852 -6.511 1.00 0.00 O ATOM 41597 C1* G B1935 -19.566 1.870 -5.915 1.00 0.00 C ATOM 41598 N9 G B1935 -19.256 0.801 -4.554 1.00 0.00 N ATOM 41599 C8 G B1935 -19.015 -0.554 -4.553 1.00 0.00 C ATOM 41600 N7 G B1935 -18.908 -1.076 -3.355 1.00 0.00 N ATOM 41601 C5 G B1935 -19.092 0.013 -2.500 1.00 0.00 C ATOM 41602 C6 G B1935 -19.085 0.072 -1.082 1.00 0.00 C ATOM 41603 O6 G B1935 -18.915 -0.838 -0.273 1.00 0.00 O ATOM 41604 N1 G B1935 -19.315 1.377 -0.625 1.00 0.00 N ATOM 41605 C2 G B1935 -19.522 2.478 -1.433 1.00 0.00 C ATOM 41606 N2 G B1935 -19.720 3.639 -0.800 1.00 0.00 N ATOM 41607 N3 G B1935 -19.523 2.420 -2.758 1.00 0.00 N ATOM 41608 C4 G B1935 -19.308 1.162 -3.223 1.00 0.00 C ATOM 41609 P A B1936 -19.406 6.655 -7.245 1.00 0.00 P ATOM 41610 O1P A B1936 -20.777 6.571 -6.699 1.00 0.00 O ATOM 41611 O2P A B1936 -19.292 6.529 -8.717 1.00 0.00 O ATOM 41612 O5* A B1936 -18.611 8.310 -6.806 1.00 0.00 O ATOM 41613 C5* A B1936 -17.510 9.189 -6.279 1.00 0.00 C ATOM 41614 C4* A B1936 -17.526 10.662 -5.469 1.00 0.00 C ATOM 41615 O4* A B1936 -18.059 11.028 -4.167 1.00 0.00 O ATOM 41616 C3* A B1936 -16.261 11.510 -5.605 1.00 0.00 C ATOM 41617 O3* A B1936 -14.889 10.766 -6.022 1.00 0.00 O ATOM 41618 C2* A B1936 -16.671 12.809 -4.915 1.00 0.00 C ATOM 41619 O2* A B1936 -17.519 13.579 -5.754 1.00 0.00 O ATOM 41620 C1* A B1936 -17.539 12.285 -3.771 1.00 0.00 C ATOM 41621 N9 A B1936 -16.708 12.081 -2.271 1.00 0.00 N ATOM 41622 C8 A B1936 -16.055 10.968 -1.800 1.00 0.00 C ATOM 41623 N7 A B1936 -15.633 11.081 -0.582 1.00 0.00 N ATOM 41624 C5 A B1936 -16.027 12.355 -0.206 1.00 0.00 C ATOM 41625 C6 A B1936 -15.876 13.090 0.988 1.00 0.00 C ATOM 41626 N6 A B1936 -15.256 12.604 2.072 1.00 0.00 N ATOM 41627 N1 A B1936 -16.388 14.329 1.022 1.00 0.00 N ATOM 41628 C2 A B1936 -17.000 14.801 -0.059 1.00 0.00 C ATOM 41629 N3 A B1936 -17.211 14.218 -1.222 1.00 0.00 N ATOM 41630 C4 A B1936 -16.684 12.975 -1.232 1.00 0.00 C ATOM 41631 P A B1937 -13.198 11.667 -5.902 1.00 0.00 P ATOM 41632 O1P A B1937 -12.541 11.931 -4.605 1.00 0.00 O ATOM 41633 O2P A B1937 -13.967 12.791 -6.475 1.00 0.00 O ATOM 41634 O5* A B1937 -11.731 11.223 -6.981 1.00 0.00 O ATOM 41635 C5* A B1937 -10.317 11.755 -6.904 1.00 0.00 C ATOM 41636 C4* A B1937 -9.016 11.163 -7.727 1.00 0.00 C ATOM 41637 O4* A B1937 -7.663 11.682 -7.547 1.00 0.00 O ATOM 41638 C3* A B1937 -8.799 9.747 -8.260 1.00 0.00 C ATOM 41639 O3* A B1937 -9.886 8.736 -8.468 1.00 0.00 O ATOM 41640 C2* A B1937 -7.561 9.920 -9.137 1.00 0.00 C ATOM 41641 O2* A B1937 -7.903 10.540 -10.370 1.00 0.00 O ATOM 41642 C1* A B1937 -6.753 10.934 -8.341 1.00 0.00 C ATOM 41643 N9 A B1937 -5.599 10.267 -7.331 1.00 0.00 N ATOM 41644 C8 A B1937 -5.371 10.536 -5.998 1.00 0.00 C ATOM 41645 N7 A B1937 -4.527 9.724 -5.436 1.00 0.00 N ATOM 41646 C5 A B1937 -4.165 8.852 -6.455 1.00 0.00 C ATOM 41647 C6 A B1937 -3.296 7.753 -6.494 1.00 0.00 C ATOM 41648 N6 A B1937 -2.594 7.326 -5.434 1.00 0.00 N ATOM 41649 N1 A B1937 -3.171 7.108 -7.668 1.00 0.00 N ATOM 41650 C2 A B1937 -3.870 7.537 -8.719 1.00 0.00 C ATOM 41651 N3 A B1937 -4.710 8.547 -8.795 1.00 0.00 N ATOM 41652 C4 A B1937 -4.817 9.177 -7.609 1.00 0.00 C ATOM 41653 P A B1938 -11.387 9.575 -9.106 1.00 0.00 P ATOM 41654 O1P A B1938 -11.750 8.926 -10.387 1.00 0.00 O ATOM 41655 O2P A B1938 -11.108 11.026 -9.174 1.00 0.00 O ATOM 41656 O5* A B1938 -12.537 9.188 -7.650 1.00 0.00 O ATOM 41657 C5* A B1938 -13.643 8.817 -6.579 1.00 0.00 C ATOM 41658 C4* A B1938 -13.960 8.892 -4.847 1.00 0.00 C ATOM 41659 O4* A B1938 -13.033 9.711 -4.068 1.00 0.00 O ATOM 41660 C3* A B1938 -15.287 9.034 -4.108 1.00 0.00 C ATOM 41661 O3* A B1938 -16.578 8.042 -4.153 1.00 0.00 O ATOM 41662 C2* A B1938 -14.838 9.086 -2.647 1.00 0.00 C ATOM 41663 O2* A B1938 -14.482 7.791 -2.184 1.00 0.00 O ATOM 41664 C1* A B1938 -13.545 9.889 -2.751 1.00 0.00 C ATOM 41665 N9 A B1938 -13.726 11.607 -2.457 1.00 0.00 N ATOM 41666 C8 A B1938 -14.370 12.547 -3.233 1.00 0.00 C ATOM 41667 N7 A B1938 -14.208 13.765 -2.817 1.00 0.00 N ATOM 41668 C5 A B1938 -13.403 13.639 -1.693 1.00 0.00 C ATOM 41669 C6 A B1938 -12.874 14.576 -0.797 1.00 0.00 C ATOM 41670 N6 A B1938 -13.083 15.894 -0.903 1.00 0.00 N ATOM 41671 N1 A B1938 -12.115 14.111 0.215 1.00 0.00 N ATOM 41672 C2 A B1938 -11.914 12.799 0.307 1.00 0.00 C ATOM 41673 N3 A B1938 -12.357 11.830 -0.466 1.00 0.00 N ATOM 41674 C4 A B1938 -13.109 12.326 -1.471 1.00 0.00 C HETATM41675 N1 5MU B1939 -22.945 2.613 -3.371 1.00 0.00 N HETATM41676 C2 5MU B1939 -23.980 2.058 -4.086 1.00 0.00 C HETATM41677 N3 5MU B1939 -24.485 0.874 -3.586 1.00 0.00 N HETATM41678 C4 5MU B1939 -24.054 0.218 -2.451 1.00 0.00 C HETATM41679 C5 5MU B1939 -22.968 0.877 -1.765 1.00 0.00 C HETATM41680 C5M 5MU B1939 -22.424 0.234 -0.496 1.00 0.00 C HETATM41681 C6 5MU B1939 -22.456 2.030 -2.229 1.00 0.00 C HETATM41682 O2 5MU B1939 -24.427 2.567 -5.101 1.00 0.00 O HETATM41683 O4 5MU B1939 -24.584 -0.839 -2.099 1.00 0.00 O HETATM41684 C1* 5MU B1939 -22.377 3.891 -3.879 1.00 0.00 C HETATM41685 C2* 5MU B1939 -23.273 5.101 -3.643 1.00 0.00 C HETATM41686 O2* 5MU B1939 -23.018 6.011 -4.699 1.00 0.00 O HETATM41687 C3* 5MU B1939 -22.723 5.636 -2.323 1.00 0.00 C HETATM41688 C4* 5MU B1939 -21.223 5.382 -2.471 1.00 0.00 C HETATM41689 O3* 5MU B1939 -23.247 5.464 -0.930 1.00 0.00 O HETATM41690 O4* 5MU B1939 -21.151 4.126 -3.199 1.00 0.00 O HETATM41691 C5* 5MU B1939 -20.680 6.503 -3.456 1.00 0.00 C HETATM41692 O5* 5MU B1939 -19.415 7.235 -3.316 1.00 0.00 O HETATM41693 P 5MU B1939 -18.307 8.085 -4.171 1.00 0.00 P HETATM41694 O1P 5MU B1939 -19.167 9.234 -4.555 1.00 0.00 O HETATM41695 O2P 5MU B1939 -18.258 6.968 -5.139 1.00 0.00 O ATOM 41696 P U B1940 -22.765 4.195 0.358 1.00 0.00 P ATOM 41697 O1P U B1940 -22.369 2.881 -0.199 1.00 0.00 O ATOM 41698 O2P U B1940 -23.923 4.176 1.281 1.00 0.00 O ATOM 41699 O5* U B1940 -21.185 4.770 1.185 1.00 0.00 O ATOM 41700 C5* U B1940 -20.341 3.614 1.634 1.00 0.00 C ATOM 41701 C4* U B1940 -19.045 3.733 2.602 1.00 0.00 C ATOM 41702 O4* U B1940 -19.194 3.761 4.053 1.00 0.00 O ATOM 41703 C3* U B1940 -17.640 3.164 2.392 1.00 0.00 C ATOM 41704 O3* U B1940 -17.118 3.030 0.893 1.00 0.00 O ATOM 41705 C2* U B1940 -16.869 3.768 3.564 1.00 0.00 C ATOM 41706 O2* U B1940 -16.571 5.133 3.317 1.00 0.00 O ATOM 41707 C1* U B1940 -17.919 3.738 4.669 1.00 0.00 C ATOM 41708 N1 U B1940 -17.842 2.395 5.671 1.00 0.00 N ATOM 41709 C2 U B1940 -16.589 1.958 6.032 1.00 0.00 C ATOM 41710 O2 U B1940 -15.568 2.552 5.727 1.00 0.00 O ATOM 41711 N3 U B1940 -16.557 0.787 6.765 1.00 0.00 N ATOM 41712 C4 U B1940 -17.648 0.038 7.162 1.00 0.00 C ATOM 41713 O4 U B1940 -17.496 -0.990 7.816 1.00 0.00 O ATOM 41714 C5 U B1940 -18.917 0.580 6.736 1.00 0.00 C ATOM 41715 C6 U B1940 -18.978 1.713 6.019 1.00 0.00 C ATOM 41716 P C B1941 -15.863 1.995 -0.102 1.00 0.00 P ATOM 41717 O1P C B1941 -16.076 2.178 -1.556 1.00 0.00 O ATOM 41718 O2P C B1941 -16.060 0.619 0.407 1.00 0.00 O ATOM 41719 O5* C B1941 -14.084 2.712 -0.116 1.00 0.00 O ATOM 41720 C5* C B1941 -12.626 2.962 -0.607 1.00 0.00 C ATOM 41721 C4* C B1941 -12.189 2.616 -2.213 1.00 0.00 C ATOM 41722 O4* C B1941 -13.463 2.778 -2.902 1.00 0.00 O ATOM 41723 C3* C B1941 -11.148 3.052 -3.247 1.00 0.00 C ATOM 41724 O3* C B1941 -9.793 2.142 -3.262 1.00 0.00 O ATOM 41725 C2* C B1941 -11.766 2.550 -4.550 1.00 0.00 C ATOM 41726 O2* C B1941 -11.596 1.148 -4.677 1.00 0.00 O ATOM 41727 C1* C B1941 -13.254 2.798 -4.305 1.00 0.00 C ATOM 41728 N1 C B1941 -13.864 4.338 -4.941 1.00 0.00 N ATOM 41729 C2 C B1941 -14.008 4.455 -6.323 1.00 0.00 C ATOM 41730 O2 C B1941 -13.616 3.534 -7.043 1.00 0.00 O ATOM 41731 N3 C B1941 -14.574 5.584 -6.820 1.00 0.00 N ATOM 41732 C4 C B1941 -14.988 6.560 -6.005 1.00 0.00 C ATOM 41733 N4 C B1941 -15.537 7.642 -6.542 1.00 0.00 N ATOM 41734 C5 C B1941 -14.850 6.458 -4.585 1.00 0.00 C ATOM 41735 C6 C B1941 -14.280 5.323 -4.106 1.00 0.00 C ATOM 41736 P C B1942 -8.928 1.939 -4.945 1.00 0.00 P ATOM 41737 O1P C B1942 -7.771 2.858 -4.839 1.00 0.00 O ATOM 41738 O2P C B1942 -9.888 2.238 -6.030 1.00 0.00 O ATOM 41739 O5* C B1942 -8.330 0.187 -5.418 1.00 0.00 O ATOM 41740 C5* C B1942 -7.252 -0.803 -5.943 1.00 0.00 C ATOM 41741 C4* C B1942 -6.471 -1.467 -7.495 1.00 0.00 C ATOM 41742 O4* C B1942 -6.462 -2.734 -6.777 1.00 0.00 O ATOM 41743 C3* C B1942 -5.661 -1.752 -8.763 1.00 0.00 C ATOM 41744 O3* C B1942 -4.792 -0.812 -9.875 1.00 0.00 O ATOM 41745 C2* C B1942 -4.592 -2.714 -8.245 1.00 0.00 C ATOM 41746 O2* C B1942 -3.593 -2.013 -7.524 1.00 0.00 O ATOM 41747 C1* C B1942 -5.380 -3.532 -7.227 1.00 0.00 C ATOM 41748 N1 C B1942 -5.996 -4.972 -7.811 1.00 0.00 N ATOM 41749 C2 C B1942 -5.240 -6.123 -7.614 1.00 0.00 C ATOM 41750 O2 C B1942 -4.116 -6.017 -7.108 1.00 0.00 O ATOM 41751 N3 C B1942 -5.764 -7.319 -7.987 1.00 0.00 N ATOM 41752 C4 C B1942 -6.988 -7.386 -8.534 1.00 0.00 C ATOM 41753 N4 C B1942 -7.452 -8.576 -8.880 1.00 0.00 N ATOM 41754 C5 C B1942 -7.782 -6.213 -8.746 1.00 0.00 C ATOM 41755 C6 C B1942 -7.239 -5.026 -8.365 1.00 0.00 C ATOM 41756 P U B1943 -3.771 0.841 -9.982 1.00 0.00 P ATOM 41757 O1P U B1943 -3.355 1.228 -8.617 1.00 0.00 O ATOM 41758 O2P U B1943 -4.703 1.770 -10.661 1.00 0.00 O ATOM 41759 O5* U B1943 -2.204 0.963 -11.154 1.00 0.00 O ATOM 41760 C5* U B1943 -1.093 1.700 -12.076 1.00 0.00 C ATOM 41761 C4* U B1943 0.470 0.928 -12.377 1.00 0.00 C ATOM 41762 O4* U B1943 0.351 0.082 -11.196 1.00 0.00 O ATOM 41763 C3* U B1943 1.975 0.999 -12.631 1.00 0.00 C ATOM 41764 O3* U B1943 3.143 0.222 -13.639 1.00 0.00 O ATOM 41765 C2* U B1943 2.538 1.013 -11.213 1.00 0.00 C ATOM 41766 O2* U B1943 2.377 2.292 -10.622 1.00 0.00 O ATOM 41767 C1* U B1943 1.586 0.066 -10.493 1.00 0.00 C ATOM 41768 N1 U B1943 2.097 -1.457 -10.403 1.00 0.00 N ATOM 41769 C2 U B1943 1.184 -2.395 -9.983 1.00 0.00 C ATOM 41770 O2 U B1943 0.075 -2.099 -9.565 1.00 0.00 O ATOM 41771 N3 U B1943 1.602 -3.708 -10.062 1.00 0.00 N ATOM 41772 C4 U B1943 2.826 -4.152 -10.513 1.00 0.00 C ATOM 41773 O4 U B1943 3.086 -5.357 -10.544 1.00 0.00 O ATOM 41774 C5 U B1943 3.717 -3.097 -10.939 1.00 0.00 C ATOM 41775 C6 U B1943 3.336 -1.808 -10.870 1.00 0.00 C ATOM 41776 P U B1944 3.944 -1.543 -13.997 1.00 0.00 P ATOM 41777 O1P U B1944 3.623 -1.762 -15.428 1.00 0.00 O ATOM 41778 O2P U B1944 3.404 -2.554 -13.058 1.00 0.00 O ATOM 41779 O5* U B1944 5.858 -1.867 -13.640 1.00 0.00 O ATOM 41780 C5* U B1944 7.344 -2.059 -12.965 1.00 0.00 C ATOM 41781 C4* U B1944 8.004 -3.554 -12.194 1.00 0.00 C ATOM 41782 O4* U B1944 7.829 -3.822 -13.614 1.00 0.00 O ATOM 41783 C3* U B1944 9.180 -4.444 -11.795 1.00 0.00 C ATOM 41784 O3* U B1944 10.254 -4.968 -10.122 1.00 0.00 O ATOM 41785 C2* U B1944 8.949 -5.687 -12.656 1.00 0.00 C ATOM 41786 O2* U B1944 7.904 -6.480 -12.122 1.00 0.00 O ATOM 41787 C1* U B1944 8.417 -5.069 -13.947 1.00 0.00 C ATOM 41788 N1 U B1944 9.602 -4.801 -15.151 1.00 0.00 N ATOM 41789 C2 U B1944 9.444 -5.469 -16.341 1.00 0.00 C ATOM 41790 O2 U B1944 8.586 -6.315 -16.519 1.00 0.00 O ATOM 41791 N3 U B1944 10.335 -5.122 -17.339 1.00 0.00 N ATOM 41792 C4 U B1944 11.348 -4.188 -17.250 1.00 0.00 C ATOM 41793 O4 U B1944 12.081 -3.966 -18.212 1.00 0.00 O ATOM 41794 C5 U B1944 11.432 -3.540 -15.961 1.00 0.00 C ATOM 41795 C6 U B1944 10.579 -3.857 -14.975 1.00 0.00 C ATOM 41796 P G B1945 11.588 -6.448 -9.183 1.00 0.00 P ATOM 41797 O1P G B1945 11.132 -7.422 -8.168 1.00 0.00 O ATOM 41798 O2P G B1945 12.996 -6.005 -9.063 1.00 0.00 O ATOM 41799 O5* G B1945 11.330 -7.037 -10.649 1.00 0.00 O ATOM 41800 C5* G B1945 10.296 -6.457 -11.462 1.00 0.00 C ATOM 41801 C4* G B1945 10.311 -7.078 -12.844 1.00 0.00 C ATOM 41802 O4* G B1945 11.531 -6.677 -13.529 1.00 0.00 O ATOM 41803 C3* G B1945 10.351 -8.606 -12.884 1.00 0.00 C ATOM 41804 O3* G B1945 9.077 -9.154 -12.764 1.00 0.00 O ATOM 41805 C2* G B1945 10.984 -8.872 -14.249 1.00 0.00 C ATOM 41806 O2* G B1945 10.038 -8.670 -15.286 1.00 0.00 O ATOM 41807 C1* G B1945 11.999 -7.739 -14.346 1.00 0.00 C ATOM 41808 N9 G B1945 13.361 -8.116 -13.882 1.00 0.00 N ATOM 41809 C8 G B1945 14.010 -7.768 -12.713 1.00 0.00 C ATOM 41810 N7 G B1945 15.216 -8.273 -12.608 1.00 0.00 N ATOM 41811 C5 G B1945 15.377 -9.004 -13.783 1.00 0.00 C ATOM 41812 C6 G B1945 16.478 -9.773 -14.239 1.00 0.00 C ATOM 41813 O6 G B1945 17.559 -9.970 -13.689 1.00 0.00 O ATOM 41814 N1 G B1945 16.218 -10.349 -15.489 1.00 0.00 N ATOM 41815 C2 G B1945 15.047 -10.207 -16.204 1.00 0.00 C ATOM 41816 N2 G B1945 14.997 -10.837 -17.380 1.00 0.00 N ATOM 41817 N3 G B1945 14.014 -9.484 -15.777 1.00 0.00 N ATOM 41818 C4 G B1945 14.250 -8.913 -14.567 1.00 0.00 C ATOM 41819 P U B1946 8.904 -10.578 -11.984 1.00 0.00 P ATOM 41820 O1P U B1946 7.480 -10.805 -11.642 1.00 0.00 O ATOM 41821 O2P U B1946 9.854 -10.638 -10.852 1.00 0.00 O ATOM 41822 O5* U B1946 9.356 -11.604 -13.125 1.00 0.00 O ATOM 41823 C5* U B1946 8.616 -11.647 -14.361 1.00 0.00 C ATOM 41824 C4* U B1946 9.290 -12.587 -15.337 1.00 0.00 C ATOM 41825 O4* U B1946 10.567 -12.016 -15.739 1.00 0.00 O ATOM 41826 C3* U B1946 9.660 -13.965 -14.785 1.00 0.00 C ATOM 41827 O3* U B1946 8.580 -14.845 -14.844 1.00 0.00 O ATOM 41828 C2* U B1946 10.803 -14.381 -15.704 1.00 0.00 C ATOM 41829 O2* U B1946 10.311 -14.796 -16.967 1.00 0.00 O ATOM 41830 C1* U B1946 11.520 -13.054 -15.923 1.00 0.00 C ATOM 41831 N1 U B1946 12.648 -12.816 -14.980 1.00 0.00 N ATOM 41832 C2 U B1946 13.800 -13.533 -15.189 1.00 0.00 C ATOM 41833 O2 U B1946 13.926 -14.336 -16.096 1.00 0.00 O ATOM 41834 N3 U B1946 14.821 -13.286 -14.292 1.00 0.00 N ATOM 41835 C4 U B1946 14.788 -12.406 -13.232 1.00 0.00 C ATOM 41836 O4 U B1946 15.768 -12.271 -12.498 1.00 0.00 O ATOM 41837 C5 U B1946 13.537 -11.700 -13.092 1.00 0.00 C ATOM 41838 C6 U B1946 12.525 -11.918 -13.949 1.00 0.00 C ATOM 41839 P C B1947 8.420 -15.968 -13.667 1.00 0.00 P ATOM 41840 O1P C B1947 7.056 -16.543 -13.690 1.00 0.00 O ATOM 41841 O2P C B1947 8.853 -15.395 -12.375 1.00 0.00 O ATOM 41842 O5* C B1947 9.478 -17.064 -14.158 1.00 0.00 O ATOM 41843 C5* C B1947 9.296 -17.689 -15.439 1.00 0.00 C ATOM 41844 C4* C B1947 10.472 -18.593 -15.750 1.00 0.00 C ATOM 41845 O4* C B1947 11.658 -17.770 -15.951 1.00 0.00 O ATOM 41846 C3* C B1947 10.876 -19.563 -14.639 1.00 0.00 C ATOM 41847 O3* C B1947 10.112 -20.725 -14.668 1.00 0.00 O ATOM 41848 C2* C B1947 12.348 -19.818 -14.962 1.00 0.00 C ATOM 41849 O2* C B1947 12.474 -20.707 -16.059 1.00 0.00 O ATOM 41850 C1* C B1947 12.801 -18.446 -15.449 1.00 0.00 C ATOM 41851 N1 C B1947 13.403 -17.598 -14.382 1.00 0.00 N ATOM 41852 C2 C B1947 14.686 -17.918 -13.945 1.00 0.00 C ATOM 41853 O2 C B1947 15.266 -18.883 -14.459 1.00 0.00 O ATOM 41854 N3 C B1947 15.250 -17.160 -12.974 1.00 0.00 N ATOM 41855 C4 C B1947 14.589 -16.121 -12.444 1.00 0.00 C ATOM 41856 N4 C B1947 15.186 -15.414 -11.497 1.00 0.00 N ATOM 41857 C5 C B1947 13.268 -15.775 -12.877 1.00 0.00 C ATOM 41858 C6 C B1947 12.720 -16.548 -13.851 1.00 0.00 C ATOM 41859 P G B1948 9.751 -21.462 -13.257 1.00 0.00 P ATOM 41860 O1P G B1948 8.651 -22.435 -13.454 1.00 0.00 O ATOM 41861 O2P G B1948 9.526 -20.441 -12.210 1.00 0.00 O ATOM 41862 O5* G B1948 11.117 -22.242 -12.968 1.00 0.00 O ATOM 41863 C5* G B1948 11.576 -23.224 -13.918 1.00 0.00 C ATOM 41864 C4* G B1948 12.941 -23.741 -13.509 1.00 0.00 C ATOM 41865 O4* G B1948 13.914 -22.665 -13.654 1.00 0.00 O ATOM 41866 C3* G B1948 13.082 -24.171 -12.047 1.00 0.00 C ATOM 41867 O3* G B1948 12.645 -25.480 -11.855 1.00 0.00 O ATOM 41868 C2* G B1948 14.583 -24.011 -11.812 1.00 0.00 C ATOM 41869 O2* G B1948 15.302 -25.078 -12.404 1.00 0.00 O ATOM 41870 C1* G B1948 14.890 -22.760 -12.628 1.00 0.00 C ATOM 41871 N9 G B1948 14.846 -21.499 -11.833 1.00 0.00 N ATOM 41872 C8 G B1948 13.890 -20.507 -11.827 1.00 0.00 C ATOM 41873 N7 G B1948 14.151 -19.519 -11.006 1.00 0.00 N ATOM 41874 C5 G B1948 15.368 -19.885 -10.426 1.00 0.00 C ATOM 41875 C6 G B1948 16.155 -19.212 -9.457 1.00 0.00 C ATOM 41876 O6 G B1948 15.941 -18.139 -8.900 1.00 0.00 O ATOM 41877 N1 G B1948 17.315 -19.936 -9.150 1.00 0.00 N ATOM 41878 C2 G B1948 17.668 -21.149 -9.705 1.00 0.00 C ATOM 41879 N2 G B1948 18.819 -21.679 -9.280 1.00 0.00 N ATOM 41880 N3 G B1948 16.929 -21.782 -10.615 1.00 0.00 N ATOM 41881 C4 G B1948 15.799 -21.092 -10.926 1.00 0.00 C ATOM 41882 P G B1949 11.932 -25.871 -10.438 1.00 0.00 P ATOM 41883 O1P G B1949 11.220 -27.159 -10.563 1.00 0.00 O ATOM 41884 O2P G B1949 11.117 -24.726 -9.969 1.00 0.00 O ATOM 41885 O5* G B1949 13.213 -26.042 -9.498 1.00 0.00 O ATOM 41886 C5* G B1949 14.193 -27.045 -9.828 1.00 0.00 C ATOM 41887 C4* G B1949 15.371 -26.952 -8.883 1.00 0.00 C ATOM 41888 O4* G B1949 16.081 -25.704 -9.133 1.00 0.00 O ATOM 41889 C3* G B1949 15.027 -26.886 -7.393 1.00 0.00 C ATOM 41890 O3* G B1949 14.831 -28.154 -6.857 1.00 0.00 O ATOM 41891 C2* G B1949 16.253 -26.184 -6.813 1.00 0.00 C ATOM 41892 O2* G B1949 17.350 -27.078 -6.726 1.00 0.00 O ATOM 41893 C1* G B1949 16.584 -25.181 -7.915 1.00 0.00 C ATOM 41894 N9 G B1949 15.979 -23.837 -7.702 1.00 0.00 N ATOM 41895 C8 G B1949 14.910 -23.253 -8.350 1.00 0.00 C ATOM 41896 N7 G B1949 14.625 -22.045 -7.922 1.00 0.00 N ATOM 41897 C5 G B1949 15.572 -21.812 -6.924 1.00 0.00 C ATOM 41898 C6 G B1949 15.770 -20.679 -6.096 1.00 0.00 C ATOM 41899 O6 G B1949 15.138 -19.626 -6.074 1.00 0.00 O ATOM 41900 N1 G B1949 16.846 -20.866 -5.220 1.00 0.00 N ATOM 41901 C2 G B1949 17.628 -22.003 -5.148 1.00 0.00 C ATOM 41902 N2 G B1949 18.609 -21.983 -4.242 1.00 0.00 N ATOM 41903 N3 G B1949 17.441 -23.067 -5.924 1.00 0.00 N ATOM 41904 C4 G B1949 16.401 -22.903 -6.784 1.00 0.00 C ATOM 41905 P G B1950 13.727 -28.347 -5.670 1.00 0.00 P ATOM 41906 O1P G B1950 13.405 -29.779 -5.495 1.00 0.00 O ATOM 41907 O2P G B1950 12.576 -27.451 -5.921 1.00 0.00 O ATOM 41908 O5* G B1950 14.557 -27.820 -4.404 1.00 0.00 O ATOM 41909 C5* G B1950 15.773 -28.495 -4.036 1.00 0.00 C ATOM 41910 C4* G B1950 16.451 -27.761 -2.899 1.00 0.00 C ATOM 41911 O4* G B1950 16.926 -26.473 -3.386 1.00 0.00 O ATOM 41912 C3* G B1950 15.558 -27.400 -1.713 1.00 0.00 C ATOM 41913 O3* G B1950 15.440 -28.460 -0.816 1.00 0.00 O ATOM 41914 C2* G B1950 16.290 -26.201 -1.113 1.00 0.00 C ATOM 41915 O2* G B1950 17.429 -26.621 -0.382 1.00 0.00 O ATOM 41916 C1* G B1950 16.805 -25.496 -2.366 1.00 0.00 C ATOM 41917 N9 G B1950 15.897 -24.421 -2.860 1.00 0.00 N ATOM 41918 C8 G B1950 15.061 -24.425 -3.955 1.00 0.00 C ATOM 41919 N7 G B1950 14.390 -23.310 -4.117 1.00 0.00 N ATOM 41920 C5 G B1950 14.812 -22.511 -3.054 1.00 0.00 C ATOM 41921 C6 G B1950 14.438 -21.192 -2.697 1.00 0.00 C ATOM 41922 O6 G B1950 13.643 -20.439 -3.254 1.00 0.00 O ATOM 41923 N1 G B1950 15.108 -20.762 -1.544 1.00 0.00 N ATOM 41924 C2 G B1950 16.022 -21.511 -0.828 1.00 0.00 C ATOM 41925 N2 G B1950 16.552 -20.920 0.245 1.00 0.00 N ATOM 41926 N3 G B1950 16.372 -22.750 -1.163 1.00 0.00 N ATOM 41927 C4 G B1950 15.731 -23.183 -2.282 1.00 0.00 C ATOM 41928 P U B1951 16.874 -28.606 0.393 1.00 0.00 P ATOM 41929 O1P U B1951 17.973 -28.673 -0.595 1.00 0.00 O ATOM 41930 O2P U B1951 17.109 -29.319 1.666 1.00 0.00 O ATOM 41931 O5* U B1951 15.989 -27.137 1.127 1.00 0.00 O ATOM 41932 C5* U B1951 14.719 -26.378 1.463 1.00 0.00 C ATOM 41933 C4* U B1951 14.815 -24.764 1.948 1.00 0.00 C ATOM 41934 O4* U B1951 16.188 -24.455 1.569 1.00 0.00 O ATOM 41935 C3* U B1951 14.015 -23.539 1.507 1.00 0.00 C ATOM 41936 O3* U B1951 12.426 -23.128 1.371 1.00 0.00 O ATOM 41937 C2* U B1951 15.000 -22.403 1.786 1.00 0.00 C ATOM 41938 O2* U B1951 15.059 -22.118 3.176 1.00 0.00 O ATOM 41939 C1* U B1951 16.331 -23.052 1.412 1.00 0.00 C ATOM 41940 N1 U B1951 17.657 -22.541 2.348 1.00 0.00 N ATOM 41941 C2 U B1951 17.644 -22.867 3.681 1.00 0.00 C ATOM 41942 O2 U B1951 16.739 -23.508 4.195 1.00 0.00 O ATOM 41943 N3 U B1951 18.727 -22.422 4.416 1.00 0.00 N ATOM 41944 C4 U B1951 19.795 -21.695 3.934 1.00 0.00 C ATOM 41945 O4 U B1951 20.708 -21.349 4.688 1.00 0.00 O ATOM 41946 C5 U B1951 19.723 -21.400 2.523 1.00 0.00 C ATOM 41947 C6 U B1951 18.678 -21.823 1.785 1.00 0.00 C ATOM 41948 P A B1952 11.677 -22.335 -0.237 1.00 0.00 P ATOM 41949 O1P A B1952 11.539 -23.476 -1.171 1.00 0.00 O ATOM 41950 O2P A B1952 12.633 -21.278 -0.652 1.00 0.00 O ATOM 41951 O5* A B1952 10.038 -21.307 -0.362 1.00 0.00 O ATOM 41952 C5* A B1952 9.151 -20.645 -1.492 1.00 0.00 C ATOM 41953 C4* A B1952 9.143 -18.949 -1.860 1.00 0.00 C ATOM 41954 O4* A B1952 8.586 -18.244 -3.002 1.00 0.00 O ATOM 41955 C3* A B1952 10.563 -18.389 -1.736 1.00 0.00 C ATOM 41956 O3* A B1952 11.390 -18.902 -0.555 1.00 0.00 O ATOM 41957 C2* A B1952 10.953 -18.186 -3.195 1.00 0.00 C ATOM 41958 O2* A B1952 11.281 -19.424 -3.806 1.00 0.00 O ATOM 41959 C1* A B1952 9.634 -17.726 -3.809 1.00 0.00 C ATOM 41960 N9 A B1952 9.446 -16.005 -3.912 1.00 0.00 N ATOM 41961 C8 A B1952 9.556 -15.195 -5.017 1.00 0.00 C ATOM 41962 N7 A B1952 9.287 -13.949 -4.788 1.00 0.00 N ATOM 41963 C5 A B1952 8.973 -13.917 -3.436 1.00 0.00 C ATOM 41964 C6 A B1952 8.598 -12.876 -2.575 1.00 0.00 C ATOM 41965 N6 A B1952 8.469 -11.605 -2.968 1.00 0.00 N ATOM 41966 N1 A B1952 8.357 -13.192 -1.288 1.00 0.00 N ATOM 41967 C2 A B1952 8.495 -14.463 -0.899 1.00 0.00 C ATOM 41968 N3 A B1952 8.838 -15.512 -1.612 1.00 0.00 N ATOM 41969 C4 A B1952 9.069 -15.167 -2.894 1.00 0.00 C ATOM 41970 P A B1953 10.731 -18.424 1.090 1.00 0.00 P ATOM 41971 O1P A B1953 10.599 -19.588 2.000 1.00 0.00 O ATOM 41972 O2P A B1953 9.539 -17.553 0.987 1.00 0.00 O ATOM 41973 O5* A B1953 12.226 -17.475 1.500 1.00 0.00 O ATOM 41974 C5* A B1953 12.794 -16.635 2.507 1.00 0.00 C ATOM 41975 C4* A B1953 11.921 -16.777 3.830 1.00 0.00 C ATOM 41976 O4* A B1953 12.537 -17.141 5.100 1.00 0.00 O ATOM 41977 C3* A B1953 10.770 -15.848 4.235 1.00 0.00 C ATOM 41978 O3* A B1953 10.436 -14.460 3.659 1.00 0.00 O ATOM 41979 C2* A B1953 10.301 -16.478 5.541 1.00 0.00 C ATOM 41980 O2* A B1953 9.534 -17.643 5.293 1.00 0.00 O ATOM 41981 C1* A B1953 11.617 -16.937 6.160 1.00 0.00 C ATOM 41982 N9 A B1953 12.302 -15.841 7.257 1.00 0.00 N ATOM 41983 C8 A B1953 13.215 -14.841 7.009 1.00 0.00 C ATOM 41984 N7 A B1953 13.682 -14.274 8.081 1.00 0.00 N ATOM 41985 C5 A B1953 13.035 -14.939 9.114 1.00 0.00 C ATOM 41986 C6 A B1953 13.103 -14.798 10.514 1.00 0.00 C ATOM 41987 N6 A B1953 13.885 -13.904 11.128 1.00 0.00 N ATOM 41988 N1 A B1953 12.328 -15.614 11.250 1.00 0.00 N ATOM 41989 C2 A B1953 11.555 -16.504 10.626 1.00 0.00 C ATOM 41990 N3 A B1953 11.413 -16.722 9.338 1.00 0.00 N ATOM 41991 C4 A B1953 12.196 -15.892 8.623 1.00 0.00 C ATOM 41992 P G B1954 8.732 -14.209 3.025 1.00 0.00 P ATOM 41993 O1P G B1954 7.748 -14.998 3.799 1.00 0.00 O ATOM 41994 O2P G B1954 8.669 -14.361 1.554 1.00 0.00 O ATOM 41995 O5* G B1954 8.678 -12.433 3.459 1.00 0.00 O ATOM 41996 C5* G B1954 8.446 -11.049 3.134 1.00 0.00 C ATOM 41997 C4* G B1954 7.186 -10.337 3.878 1.00 0.00 C ATOM 41998 O4* G B1954 5.792 -10.566 3.537 1.00 0.00 O ATOM 41999 C3* G B1954 7.145 -9.128 4.820 1.00 0.00 C ATOM 42000 O3* G B1954 8.268 -8.659 5.725 1.00 0.00 O ATOM 42001 C2* G B1954 6.013 -8.299 4.222 1.00 0.00 C ATOM 42002 O2* G B1954 6.442 -7.623 3.056 1.00 0.00 O ATOM 42003 C1* G B1954 5.040 -9.388 3.776 1.00 0.00 C ATOM 42004 N9 G B1954 3.792 -9.759 4.924 1.00 0.00 N ATOM 42005 C8 G B1954 3.847 -9.758 6.300 1.00 0.00 C ATOM 42006 N7 G B1954 2.702 -10.041 6.878 1.00 0.00 N ATOM 42007 C5 G B1954 1.830 -10.235 5.806 1.00 0.00 C ATOM 42008 C6 G B1954 0.451 -10.569 5.808 1.00 0.00 C ATOM 42009 O6 G B1954 -0.292 -10.761 6.758 1.00 0.00 O ATOM 42010 N1 G B1954 -0.044 -10.672 4.501 1.00 0.00 N ATOM 42011 C2 G B1954 0.694 -10.482 3.346 1.00 0.00 C ATOM 42012 N2 G B1954 0.034 -10.626 2.196 1.00 0.00 N ATOM 42013 N3 G B1954 1.986 -10.172 3.349 1.00 0.00 N ATOM 42014 C4 G B1954 2.487 -10.066 4.613 1.00 0.00 C ATOM 42015 P U B1955 9.473 -7.347 5.294 1.00 0.00 P ATOM 42016 O1P U B1955 10.344 -7.137 6.467 1.00 0.00 O ATOM 42017 O2P U B1955 8.884 -6.125 4.701 1.00 0.00 O ATOM 42018 O5* U B1955 10.203 -8.324 3.937 1.00 0.00 O ATOM 42019 C5* U B1955 11.357 -8.522 3.053 1.00 0.00 C ATOM 42020 C4* U B1955 12.165 -9.892 3.491 1.00 0.00 C ATOM 42021 O4* U B1955 11.871 -10.093 4.905 1.00 0.00 O ATOM 42022 C3* U B1955 11.819 -11.241 2.852 1.00 0.00 C ATOM 42023 O3* U B1955 11.931 -11.647 1.366 1.00 0.00 O ATOM 42024 C2* U B1955 12.250 -12.228 3.934 1.00 0.00 C ATOM 42025 O2* U B1955 13.662 -12.371 3.945 1.00 0.00 O ATOM 42026 C1* U B1955 11.870 -11.481 5.204 1.00 0.00 C ATOM 42027 N1 U B1955 10.344 -11.890 5.839 1.00 0.00 N ATOM 42028 C2 U B1955 10.175 -13.181 6.279 1.00 0.00 C ATOM 42029 O2 U B1955 11.036 -14.035 6.175 1.00 0.00 O ATOM 42030 N3 U B1955 8.944 -13.455 6.855 1.00 0.00 N ATOM 42031 C4 U B1955 7.905 -12.567 7.025 1.00 0.00 C ATOM 42032 O4 U B1955 6.851 -12.933 7.554 1.00 0.00 O ATOM 42033 C5 U B1955 8.179 -11.238 6.531 1.00 0.00 C ATOM 42034 C6 U B1955 9.356 -10.944 5.968 1.00 0.00 C ATOM 42035 P U B1956 13.227 -11.279 0.090 1.00 0.00 P ATOM 42036 O1P U B1956 13.785 -9.909 0.123 1.00 0.00 O ATOM 42037 O2P U B1956 12.642 -11.704 -1.201 1.00 0.00 O ATOM 42038 O5* U B1956 14.343 -12.330 0.551 1.00 0.00 O ATOM 42039 C5* U B1956 14.982 -12.154 1.830 1.00 0.00 C ATOM 42040 C4* U B1956 15.905 -13.323 2.112 1.00 0.00 C ATOM 42041 O4* U B1956 15.100 -14.520 2.308 1.00 0.00 O ATOM 42042 C3* U B1956 16.864 -13.703 0.983 1.00 0.00 C ATOM 42043 O3* U B1956 18.017 -12.919 1.008 1.00 0.00 O ATOM 42044 C2* U B1956 17.145 -15.173 1.283 1.00 0.00 C ATOM 42045 O2* U B1956 18.048 -15.303 2.366 1.00 0.00 O ATOM 42046 C1* U B1956 15.785 -15.649 1.782 1.00 0.00 C ATOM 42047 N1 U B1956 14.930 -16.248 0.715 1.00 0.00 N ATOM 42048 C2 U B1956 15.270 -17.507 0.277 1.00 0.00 C ATOM 42049 O2 U B1956 16.221 -18.126 0.719 1.00 0.00 O ATOM 42050 N3 U B1956 14.456 -18.028 -0.710 1.00 0.00 N ATOM 42051 C4 U B1956 13.361 -17.413 -1.279 1.00 0.00 C ATOM 42052 O4 U B1956 12.710 -17.980 -2.156 1.00 0.00 O ATOM 42053 C5 U B1956 13.084 -16.096 -0.751 1.00 0.00 C ATOM 42054 C6 U B1956 13.859 -15.565 0.209 1.00 0.00 C ATOM 42055 P C B1957 18.733 -12.532 -0.408 1.00 0.00 P ATOM 42056 O1P C B1957 19.694 -11.423 -0.212 1.00 0.00 O ATOM 42057 O2P C B1957 17.694 -12.309 -1.440 1.00 0.00 O ATOM 42058 O5* C B1957 19.525 -13.886 -0.726 1.00 0.00 O ATOM 42059 C5* C B1957 20.525 -14.342 0.200 1.00 0.00 C ATOM 42060 C4* C B1957 21.055 -15.695 -0.230 1.00 0.00 C ATOM 42061 O4* C B1957 19.994 -16.684 -0.084 1.00 0.00 O ATOM 42062 C3* C B1957 21.466 -15.813 -1.697 1.00 0.00 C ATOM 42063 O3* C B1957 22.768 -15.355 -1.901 1.00 0.00 O ATOM 42064 C2* C B1957 21.323 -17.309 -1.950 1.00 0.00 C ATOM 42065 O2* C B1957 22.407 -18.024 -1.381 1.00 0.00 O ATOM 42066 C1* C B1957 20.088 -17.644 -1.123 1.00 0.00 C ATOM 42067 N1 C B1957 18.816 -17.609 -1.899 1.00 0.00 N ATOM 42068 C2 C B1957 18.566 -18.653 -2.783 1.00 0.00 C ATOM 42069 O2 C B1957 19.401 -19.559 -2.888 1.00 0.00 O ATOM 42070 N3 C B1957 17.413 -18.637 -3.502 1.00 0.00 N ATOM 42071 C4 C B1957 16.538 -17.635 -3.362 1.00 0.00 C ATOM 42072 N4 C B1957 15.427 -17.665 -4.084 1.00 0.00 N ATOM 42073 C5 C B1957 16.774 -16.552 -2.458 1.00 0.00 C ATOM 42074 C6 C B1957 17.933 -16.587 -1.750 1.00 0.00 C ATOM 42075 P C B1958 23.129 -14.619 -3.311 1.00 0.00 P ATOM 42076 O1P C B1958 24.416 -13.893 -3.198 1.00 0.00 O ATOM 42077 O2P C B1958 21.972 -13.811 -3.757 1.00 0.00 O ATOM 42078 O5* C B1958 23.309 -15.886 -4.274 1.00 0.00 O ATOM 42079 C5* C B1958 24.326 -16.855 -3.969 1.00 0.00 C ATOM 42080 C4* C B1958 24.236 -18.025 -4.927 1.00 0.00 C ATOM 42081 O4* C B1958 22.998 -18.752 -4.669 1.00 0.00 O ATOM 42082 C3* C B1958 24.145 -17.664 -6.410 1.00 0.00 C ATOM 42083 O3* C B1958 25.408 -17.444 -6.961 1.00 0.00 O ATOM 42084 C2* C B1958 23.452 -18.891 -6.999 1.00 0.00 C ATOM 42085 O2* C B1958 24.356 -19.973 -7.114 1.00 0.00 O ATOM 42086 C1* C B1958 22.471 -19.246 -5.889 1.00 0.00 C ATOM 42087 N1 C B1958 21.114 -18.657 -6.076 1.00 0.00 N ATOM 42088 C2 C B1958 20.290 -19.213 -7.049 1.00 0.00 C ATOM 42089 O2 C B1958 20.714 -20.168 -7.713 1.00 0.00 O ATOM 42090 N3 C B1958 19.053 -18.689 -7.235 1.00 0.00 N ATOM 42091 C4 C B1958 18.632 -17.655 -6.495 1.00 0.00 C ATOM 42092 N4 C B1958 17.416 -17.184 -6.715 1.00 0.00 N ATOM 42093 C5 C B1958 19.463 -17.069 -5.486 1.00 0.00 C ATOM 42094 C6 C B1958 20.698 -17.606 -5.317 1.00 0.00 C ATOM 42095 P G B1959 25.565 -16.322 -8.139 1.00 0.00 P ATOM 42096 O1P G B1959 26.993 -15.978 -8.328 1.00 0.00 O ATOM 42097 O2P G B1959 24.660 -15.185 -7.859 1.00 0.00 O ATOM 42098 O5* G B1959 25.036 -17.139 -9.405 1.00 0.00 O ATOM 42099 C5* G B1959 25.721 -18.343 -9.800 1.00 0.00 C ATOM 42100 C4* G B1959 24.978 -19.016 -10.935 1.00 0.00 C ATOM 42101 O4* G B1959 23.704 -19.512 -10.438 1.00 0.00 O ATOM 42102 C3* G B1959 24.590 -18.113 -12.106 1.00 0.00 C ATOM 42103 O3* G B1959 25.637 -17.969 -13.013 1.00 0.00 O ATOM 42104 C2* G B1959 23.394 -18.850 -12.698 1.00 0.00 C ATOM 42105 O2* G B1959 23.822 -19.975 -13.451 1.00 0.00 O ATOM 42106 C1* G B1959 22.712 -19.389 -11.444 1.00 0.00 C ATOM 42107 N9 G B1959 21.635 -18.506 -10.923 1.00 0.00 N ATOM 42108 C8 G B1959 21.640 -17.683 -9.816 1.00 0.00 C ATOM 42109 N7 G B1959 20.519 -17.030 -9.634 1.00 0.00 N ATOM 42110 C5 G B1959 19.716 -17.448 -10.690 1.00 0.00 C ATOM 42111 C6 G B1959 18.382 -17.084 -11.024 1.00 0.00 C ATOM 42112 O6 G B1959 17.628 -16.305 -10.448 1.00 0.00 O ATOM 42113 N1 G B1959 17.949 -17.745 -12.182 1.00 0.00 N ATOM 42114 C2 G B1959 18.697 -18.640 -12.918 1.00 0.00 C ATOM 42115 N2 G B1959 18.101 -19.163 -13.992 1.00 0.00 N ATOM 42116 N3 G B1959 19.946 -18.978 -12.604 1.00 0.00 N ATOM 42117 C4 G B1959 20.386 -18.348 -11.485 1.00 0.00 C ATOM 42118 P A B1960 25.808 -16.543 -13.795 1.00 0.00 P ATOM 42119 O1P A B1960 27.152 -16.458 -14.413 1.00 0.00 O ATOM 42120 O2P A B1960 25.448 -15.435 -12.886 1.00 0.00 O ATOM 42121 O5* A B1960 24.698 -16.694 -14.937 1.00 0.00 O ATOM 42122 C5* A B1960 24.808 -17.774 -15.882 1.00 0.00 C ATOM 42123 C4* A B1960 23.593 -17.801 -16.787 1.00 0.00 C ATOM 42124 O4* A B1960 22.427 -18.171 -15.997 1.00 0.00 O ATOM 42125 C3* A B1960 23.201 -16.462 -17.413 1.00 0.00 C ATOM 42126 O3* A B1960 23.930 -16.208 -18.573 1.00 0.00 O ATOM 42127 C2* A B1960 21.712 -16.658 -17.684 1.00 0.00 C ATOM 42128 O2* A B1960 21.512 -17.477 -18.822 1.00 0.00 O ATOM 42129 C1* A B1960 21.284 -17.474 -16.469 1.00 0.00 C ATOM 42130 N9 A B1960 20.753 -16.649 -15.347 1.00 0.00 N ATOM 42131 C8 A B1960 21.349 -16.328 -14.149 1.00 0.00 C ATOM 42132 N7 A B1960 20.618 -15.583 -13.380 1.00 0.00 N ATOM 42133 C5 A B1960 19.452 -15.387 -14.111 1.00 0.00 C ATOM 42134 C6 A B1960 18.272 -14.680 -13.838 1.00 0.00 C ATOM 42135 N6 A B1960 18.064 -14.000 -12.700 1.00 0.00 N ATOM 42136 N1 A B1960 17.314 -14.692 -14.780 1.00 0.00 N ATOM 42137 C2 A B1960 17.527 -15.368 -15.906 1.00 0.00 C ATOM 42138 N3 A B1960 18.581 -16.066 -16.271 1.00 0.00 N ATOM 42139 C4 A B1960 19.529 -16.033 -15.310 1.00 0.00 C ATOM 42140 P C B1961 24.326 -14.664 -18.930 1.00 0.00 P ATOM 42141 O1P C B1961 25.381 -14.634 -19.964 1.00 0.00 O ATOM 42142 O2P C B1961 24.624 -13.930 -17.680 1.00 0.00 O ATOM 42143 O5* C B1961 22.946 -14.138 -19.550 1.00 0.00 O ATOM 42144 C5* C B1961 22.418 -14.779 -20.726 1.00 0.00 C ATOM 42145 C4* C B1961 21.057 -14.207 -21.063 1.00 0.00 C ATOM 42146 O4* C B1961 20.114 -14.599 -20.024 1.00 0.00 O ATOM 42147 C3* C B1961 20.963 -12.680 -21.091 1.00 0.00 C ATOM 42148 O3* C B1961 21.365 -12.167 -22.320 1.00 0.00 O ATOM 42149 C2* C B1961 19.477 -12.449 -20.811 1.00 0.00 C ATOM 42150 O2* C B1961 18.701 -12.716 -21.965 1.00 0.00 O ATOM 42151 C1* C B1961 19.176 -13.556 -19.806 1.00 0.00 C ATOM 42152 N1 C B1961 19.293 -13.120 -18.387 1.00 0.00 N ATOM 42153 C2 C B1961 18.285 -12.312 -17.869 1.00 0.00 C ATOM 42154 O2 C B1961 17.345 -11.988 -18.605 1.00 0.00 O ATOM 42155 N3 C B1961 18.371 -11.905 -16.576 1.00 0.00 N ATOM 42156 C4 C B1961 19.409 -12.277 -15.813 1.00 0.00 C ATOM 42157 N4 C B1961 19.448 -11.853 -14.560 1.00 0.00 N ATOM 42158 C5 C B1961 20.454 -13.108 -16.326 1.00 0.00 C ATOM 42159 C6 C B1961 20.350 -13.502 -17.618 1.00 0.00 C ATOM 42160 P C B1962 20.222 -11.582 -23.677 1.00 0.00 P ATOM 42161 O1P C B1962 21.045 -11.290 -24.877 1.00 0.00 O ATOM 42162 O2P C B1962 19.336 -10.493 -23.221 1.00 0.00 O ATOM 42163 O5* C B1962 19.236 -13.140 -23.932 1.00 0.00 O ATOM 42164 C5* C B1962 18.065 -14.076 -23.851 1.00 0.00 C ATOM 42165 C4* C B1962 16.558 -13.550 -23.338 1.00 0.00 C ATOM 42166 O4* C B1962 16.440 -12.116 -23.559 1.00 0.00 O ATOM 42167 C3* C B1962 15.207 -14.102 -23.789 1.00 0.00 C ATOM 42168 O3* C B1962 14.445 -15.347 -23.192 1.00 0.00 O ATOM 42169 C2* C B1962 14.248 -13.001 -23.339 1.00 0.00 C ATOM 42170 O2* C B1962 14.031 -13.058 -21.942 1.00 0.00 O ATOM 42171 C1* C B1962 15.072 -11.747 -23.614 1.00 0.00 C ATOM 42172 N1 C B1962 14.773 -11.017 -25.126 1.00 0.00 N ATOM 42173 C2 C B1962 13.467 -11.024 -25.603 1.00 0.00 C ATOM 42174 O2 C B1962 12.587 -11.561 -24.920 1.00 0.00 O ATOM 42175 N3 C B1962 13.205 -10.453 -26.805 1.00 0.00 N ATOM 42176 C4 C B1962 14.188 -9.889 -27.520 1.00 0.00 C ATOM 42177 N4 C B1962 13.884 -9.340 -28.689 1.00 0.00 N ATOM 42178 C5 C B1962 15.539 -9.861 -27.044 1.00 0.00 C ATOM 42179 C6 C B1962 15.780 -10.438 -25.839 1.00 0.00 C ATOM 42180 P U B1963 14.922 -17.093 -22.996 1.00 0.00 P ATOM 42181 O1P U B1963 15.717 -17.270 -21.762 1.00 0.00 O ATOM 42182 O2P U B1963 15.470 -17.722 -24.215 1.00 0.00 O ATOM 42183 O5* U B1963 13.188 -17.679 -22.866 1.00 0.00 O ATOM 42184 C5* U B1963 12.404 -18.843 -22.505 1.00 0.00 C ATOM 42185 C4* U B1963 12.306 -18.869 -20.901 1.00 0.00 C ATOM 42186 O4* U B1963 11.797 -17.616 -20.356 1.00 0.00 O ATOM 42187 C3* U B1963 11.802 -19.927 -19.916 1.00 0.00 C ATOM 42188 O3* U B1963 12.297 -21.402 -19.984 1.00 0.00 O ATOM 42189 C2* U B1963 11.898 -19.193 -18.579 1.00 0.00 C ATOM 42190 O2* U B1963 13.245 -19.129 -18.136 1.00 0.00 O ATOM 42191 C1* U B1963 11.496 -17.774 -18.979 1.00 0.00 C ATOM 42192 N1 U B1963 9.839 -17.407 -18.744 1.00 0.00 N ATOM 42193 C2 U B1963 9.071 -18.364 -18.131 1.00 0.00 C ATOM 42194 O2 U B1963 9.498 -19.465 -17.827 1.00 0.00 O ATOM 42195 N3 U B1963 7.762 -18.007 -17.877 1.00 0.00 N ATOM 42196 C4 U B1963 7.176 -16.793 -18.177 1.00 0.00 C ATOM 42197 O4 U B1963 5.991 -16.582 -17.902 1.00 0.00 O ATOM 42198 C5 U B1963 8.062 -15.849 -18.820 1.00 0.00 C ATOM 42199 C6 U B1963 9.340 -16.174 -19.077 1.00 0.00 C ATOM 42200 P G B1964 12.846 -22.195 -18.413 1.00 0.00 P ATOM 42201 O1P G B1964 13.932 -21.337 -17.884 1.00 0.00 O ATOM 42202 O2P G B1964 13.134 -23.645 -18.452 1.00 0.00 O ATOM 42203 O5* G B1964 11.175 -21.987 -17.675 1.00 0.00 O ATOM 42204 C5* G B1964 9.955 -21.680 -18.411 1.00 0.00 C ATOM 42205 C4* G B1964 8.401 -21.960 -17.913 1.00 0.00 C ATOM 42206 O4* G B1964 7.673 -22.732 -18.909 1.00 0.00 O ATOM 42207 C3* G B1964 7.972 -22.576 -16.585 1.00 0.00 C ATOM 42208 O3* G B1964 8.076 -21.462 -15.474 1.00 0.00 O ATOM 42209 C2* G B1964 6.509 -22.922 -16.849 1.00 0.00 C ATOM 42210 O2* G B1964 5.701 -21.760 -16.797 1.00 0.00 O ATOM 42211 C1* G B1964 6.558 -23.367 -18.306 1.00 0.00 C ATOM 42212 N9 G B1964 6.713 -25.062 -18.534 1.00 0.00 N ATOM 42213 C8 G B1964 7.823 -25.791 -18.908 1.00 0.00 C ATOM 42214 N7 G B1964 7.574 -27.061 -19.133 1.00 0.00 N ATOM 42215 C5 G B1964 6.206 -27.179 -18.885 1.00 0.00 C ATOM 42216 C6 G B1964 5.361 -28.316 -18.956 1.00 0.00 C ATOM 42217 O6 G B1964 5.647 -29.472 -19.261 1.00 0.00 O ATOM 42218 N1 G B1964 4.038 -27.994 -18.622 1.00 0.00 N ATOM 42219 C2 G B1964 3.590 -26.735 -18.270 1.00 0.00 C ATOM 42220 N2 G B1964 2.292 -26.631 -17.983 1.00 0.00 N ATOM 42221 N3 G B1964 4.388 -25.669 -18.195 1.00 0.00 N ATOM 42222 C4 G B1964 5.674 -25.964 -18.517 1.00 0.00 C ATOM 42223 P C B1965 6.797 -20.262 -14.860 1.00 0.00 P ATOM 42224 O1P C B1965 5.941 -19.710 -15.932 1.00 0.00 O ATOM 42225 O2P C B1965 7.438 -19.266 -13.973 1.00 0.00 O ATOM 42226 O5* C B1965 5.940 -21.508 -13.830 1.00 0.00 O ATOM 42227 C5* C B1965 4.983 -22.035 -12.874 1.00 0.00 C ATOM 42228 C4* C B1965 3.682 -22.722 -13.612 1.00 0.00 C ATOM 42229 O4* C B1965 2.916 -21.795 -14.436 1.00 0.00 O ATOM 42230 C3* C B1965 3.941 -23.908 -14.536 1.00 0.00 C ATOM 42231 O3* C B1965 4.323 -25.256 -13.892 1.00 0.00 O ATOM 42232 C2* C B1965 2.649 -23.975 -15.347 1.00 0.00 C ATOM 42233 O2* C B1965 1.600 -24.544 -14.580 1.00 0.00 O ATOM 42234 C1* C B1965 2.319 -22.493 -15.515 1.00 0.00 C ATOM 42235 N1 C B1965 2.875 -21.800 -16.977 1.00 0.00 N ATOM 42236 C2 C B1965 2.879 -22.599 -18.116 1.00 0.00 C ATOM 42237 O2 C B1965 2.462 -23.762 -18.025 1.00 0.00 O ATOM 42238 N3 C B1965 3.341 -22.075 -19.281 1.00 0.00 N ATOM 42239 C4 C B1965 3.782 -20.812 -19.335 1.00 0.00 C ATOM 42240 N4 C B1965 4.216 -20.354 -20.494 1.00 0.00 N ATOM 42241 C5 C B1965 3.784 -19.972 -18.177 1.00 0.00 C ATOM 42242 C6 C B1965 3.324 -20.515 -17.022 1.00 0.00 C ATOM 42243 P A B1966 4.386 -25.507 -12.060 1.00 0.00 P ATOM 42244 O1P A B1966 5.638 -24.945 -11.508 1.00 0.00 O ATOM 42245 O2P A B1966 4.137 -26.932 -11.761 1.00 0.00 O ATOM 42246 O5* A B1966 2.934 -24.503 -11.544 1.00 0.00 O ATOM 42247 C5* A B1966 2.162 -24.009 -10.399 1.00 0.00 C ATOM 42248 C4* A B1966 0.522 -23.953 -10.617 1.00 0.00 C ATOM 42249 O4* A B1966 0.183 -23.632 -11.994 1.00 0.00 O ATOM 42250 C3* A B1966 -0.332 -25.179 -10.302 1.00 0.00 C ATOM 42251 O3* A B1966 -0.493 -25.209 -8.708 1.00 0.00 O ATOM 42252 C2* A B1966 -1.619 -24.884 -11.069 1.00 0.00 C ATOM 42253 O2* A B1966 -2.398 -23.914 -10.392 1.00 0.00 O ATOM 42254 C1* A B1966 -1.070 -24.211 -12.326 1.00 0.00 C ATOM 42255 N9 A B1966 -0.847 -25.246 -13.640 1.00 0.00 N ATOM 42256 C8 A B1966 -0.201 -26.461 -13.672 1.00 0.00 C ATOM 42257 N7 A B1966 -0.083 -26.957 -14.865 1.00 0.00 N ATOM 42258 C5 A B1966 -0.688 -26.014 -15.686 1.00 0.00 C ATOM 42259 C6 A B1966 -0.892 -25.956 -17.073 1.00 0.00 C ATOM 42260 N6 A B1966 -0.485 -26.908 -17.919 1.00 0.00 N ATOM 42261 N1 A B1966 -1.527 -24.876 -17.562 1.00 0.00 N ATOM 42262 C2 A B1966 -1.933 -23.931 -16.712 1.00 0.00 C ATOM 42263 N3 A B1966 -1.801 -23.879 -15.402 1.00 0.00 N ATOM 42264 C4 A B1966 -1.157 -24.971 -14.943 1.00 0.00 C ATOM 42265 P C B1967 -1.421 -24.196 -7.448 1.00 0.00 P ATOM 42266 O1P C B1967 -1.294 -22.742 -7.674 1.00 0.00 O ATOM 42267 O2P C B1967 -1.067 -24.665 -6.088 1.00 0.00 O ATOM 42268 O5* C B1967 -3.109 -24.900 -7.653 1.00 0.00 O ATOM 42269 C5* C B1967 -3.285 -26.056 -6.752 1.00 0.00 C ATOM 42270 C4* C B1967 -3.009 -27.417 -7.653 1.00 0.00 C ATOM 42271 O4* C B1967 -4.266 -27.715 -8.326 1.00 0.00 O ATOM 42272 C3* C B1967 -2.012 -27.244 -8.801 1.00 0.00 C ATOM 42273 O3* C B1967 -0.450 -27.294 -8.610 1.00 0.00 O ATOM 42274 C2* C B1967 -2.496 -28.289 -9.807 1.00 0.00 C ATOM 42275 O2* C B1967 -2.113 -29.591 -9.404 1.00 0.00 O ATOM 42276 C1* C B1967 -4.010 -28.194 -9.637 1.00 0.00 C ATOM 42277 N1 C B1967 -4.795 -27.148 -10.759 1.00 0.00 N ATOM 42278 C2 C B1967 -4.774 -27.508 -12.103 1.00 0.00 C ATOM 42279 O2 C B1967 -4.177 -28.534 -12.439 1.00 0.00 O ATOM 42280 N3 C B1967 -5.417 -26.714 -12.999 1.00 0.00 N ATOM 42281 C4 C B1967 -6.057 -25.610 -12.600 1.00 0.00 C ATOM 42282 N4 C B1967 -6.665 -24.869 -13.514 1.00 0.00 N ATOM 42283 C5 C B1967 -6.092 -25.221 -11.222 1.00 0.00 C ATOM 42284 C6 C B1967 -5.444 -26.028 -10.338 1.00 0.00 C ATOM 42285 P G B1968 0.797 -27.334 -7.195 1.00 0.00 P ATOM 42286 O1P G B1968 2.075 -27.554 -7.910 1.00 0.00 O ATOM 42287 O2P G B1968 0.455 -28.342 -6.172 1.00 0.00 O ATOM 42288 O5* G B1968 0.944 -25.668 -6.348 1.00 0.00 O ATOM 42289 C5* G B1968 0.983 -25.081 -4.976 1.00 0.00 C ATOM 42290 C4* G B1968 1.952 -23.830 -4.517 1.00 0.00 C ATOM 42291 O4* G B1968 3.284 -23.727 -5.100 1.00 0.00 O ATOM 42292 C3* G B1968 1.563 -22.380 -4.234 1.00 0.00 C ATOM 42293 O3* G B1968 0.374 -22.284 -3.180 1.00 0.00 O ATOM 42294 C2* G B1968 2.896 -21.761 -3.818 1.00 0.00 C ATOM 42295 O2* G B1968 3.235 -22.138 -2.498 1.00 0.00 O ATOM 42296 C1* G B1968 3.870 -22.481 -4.750 1.00 0.00 C ATOM 42297 N9 G B1968 4.243 -21.619 -6.217 1.00 0.00 N ATOM 42298 C8 G B1968 3.518 -21.540 -7.385 1.00 0.00 C ATOM 42299 N7 G B1968 4.133 -20.911 -8.354 1.00 0.00 N ATOM 42300 C5 G B1968 5.356 -20.547 -7.789 1.00 0.00 C ATOM 42301 C6 G B1968 6.449 -19.841 -8.352 1.00 0.00 C ATOM 42302 O6 G B1968 6.570 -19.386 -9.487 1.00 0.00 O ATOM 42303 N1 G B1968 7.494 -19.689 -7.430 1.00 0.00 N ATOM 42304 C2 G B1968 7.483 -20.158 -6.130 1.00 0.00 C ATOM 42305 N2 G B1968 8.574 -19.908 -5.404 1.00 0.00 N ATOM 42306 N3 G B1968 6.452 -20.819 -5.600 1.00 0.00 N ATOM 42307 C4 G B1968 5.434 -20.973 -6.484 1.00 0.00 C ATOM 42308 P A B1969 -0.026 -20.755 -2.194 1.00 0.00 P ATOM 42309 O1P A B1969 0.672 -19.584 -2.765 1.00 0.00 O ATOM 42310 O2P A B1969 0.198 -21.004 -0.752 1.00 0.00 O ATOM 42311 O5* A B1969 -1.842 -20.565 -2.549 1.00 0.00 O ATOM 42312 C5* A B1969 -2.863 -19.519 -2.291 1.00 0.00 C ATOM 42313 C4* A B1969 -4.228 -19.476 -3.229 1.00 0.00 C ATOM 42314 O4* A B1969 -4.198 -20.540 -4.222 1.00 0.00 O ATOM 42315 C3* A B1969 -5.650 -19.533 -2.671 1.00 0.00 C ATOM 42316 O3* A B1969 -6.085 -18.217 -1.754 1.00 0.00 O ATOM 42317 C2* A B1969 -6.464 -19.900 -3.909 1.00 0.00 C ATOM 42318 O2* A B1969 -6.630 -18.774 -4.754 1.00 0.00 O ATOM 42319 C1* A B1969 -5.517 -20.859 -4.628 1.00 0.00 C ATOM 42320 N9 A B1969 -5.795 -22.511 -4.304 1.00 0.00 N ATOM 42321 C8 A B1969 -5.032 -23.596 -4.675 1.00 0.00 C ATOM 42322 N7 A B1969 -5.399 -24.712 -4.131 1.00 0.00 N ATOM 42323 C5 A B1969 -6.482 -24.359 -3.340 1.00 0.00 C ATOM 42324 C6 A B1969 -7.320 -25.098 -2.493 1.00 0.00 C ATOM 42325 N6 A B1969 -7.196 -26.421 -2.299 1.00 0.00 N ATOM 42326 N1 A B1969 -8.300 -24.434 -1.851 1.00 0.00 N ATOM 42327 C2 A B1969 -8.418 -23.121 -2.049 1.00 0.00 C ATOM 42328 N3 A B1969 -7.697 -22.326 -2.812 1.00 0.00 N ATOM 42329 C4 A B1969 -6.725 -23.020 -3.439 1.00 0.00 C ATOM 42330 P A B1970 -6.631 -16.558 -2.615 1.00 0.00 P ATOM 42331 O1P A B1970 -7.810 -17.082 -3.342 1.00 0.00 O ATOM 42332 O2P A B1970 -5.474 -16.182 -3.460 1.00 0.00 O ATOM 42333 O5* A B1970 -7.321 -14.873 -1.902 1.00 0.00 O ATOM 42334 C5* A B1970 -7.726 -13.313 -2.093 1.00 0.00 C ATOM 42335 C4* A B1970 -9.322 -12.650 -2.576 1.00 0.00 C ATOM 42336 O4* A B1970 -9.869 -13.981 -2.364 1.00 0.00 O ATOM 42337 C3* A B1970 -10.352 -11.718 -1.934 1.00 0.00 C ATOM 42338 O3* A B1970 -10.895 -10.157 -2.360 1.00 0.00 O ATOM 42339 C2* A B1970 -11.666 -12.428 -2.255 1.00 0.00 C ATOM 42340 O2* A B1970 -12.030 -12.223 -3.609 1.00 0.00 O ATOM 42341 C1* A B1970 -11.269 -13.892 -2.118 1.00 0.00 C ATOM 42342 N9 A B1970 -11.582 -14.560 -0.623 1.00 0.00 N ATOM 42343 C8 A B1970 -10.879 -15.539 0.041 1.00 0.00 C ATOM 42344 N7 A B1970 -11.283 -15.744 1.256 1.00 0.00 N ATOM 42345 C5 A B1970 -12.328 -14.845 1.422 1.00 0.00 C ATOM 42346 C6 A B1970 -13.175 -14.569 2.504 1.00 0.00 C ATOM 42347 N6 A B1970 -13.106 -15.206 3.682 1.00 0.00 N ATOM 42348 N1 A B1970 -14.110 -13.616 2.330 1.00 0.00 N ATOM 42349 C2 A B1970 -14.177 -12.984 1.158 1.00 0.00 C ATOM 42350 N3 A B1970 -13.439 -13.155 0.086 1.00 0.00 N ATOM 42351 C4 A B1970 -12.516 -14.120 0.281 1.00 0.00 C ATOM 42352 P U B1971 -12.253 -8.987 -1.504 1.00 0.00 P ATOM 42353 O1P U B1971 -13.105 -9.892 -0.701 1.00 0.00 O ATOM 42354 O2P U B1971 -12.935 -8.265 -2.598 1.00 0.00 O ATOM 42355 O5* U B1971 -11.595 -7.608 -0.235 1.00 0.00 O ATOM 42356 C5* U B1971 -11.082 -6.770 1.124 1.00 0.00 C ATOM 42357 C4* U B1971 -9.805 -5.625 1.965 1.00 0.00 C ATOM 42358 O4* U B1971 -10.910 -5.215 2.824 1.00 0.00 O ATOM 42359 C3* U B1971 -8.851 -4.428 2.000 1.00 0.00 C ATOM 42360 O3* U B1971 -7.770 -3.728 0.901 1.00 0.00 O ATOM 42361 C2* U B1971 -9.824 -3.252 2.052 1.00 0.00 C ATOM 42362 O2* U B1971 -10.396 -3.012 0.778 1.00 0.00 O ATOM 42363 C1* U B1971 -10.930 -3.799 2.940 1.00 0.00 C ATOM 42364 N1 U B1971 -10.798 -3.418 4.483 1.00 0.00 N ATOM 42365 C2 U B1971 -10.007 -2.337 4.790 1.00 0.00 C ATOM 42366 O2 U B1971 -9.321 -1.761 3.959 1.00 0.00 O ATOM 42367 N3 U B1971 -10.030 -1.944 6.112 1.00 0.00 N ATOM 42368 C4 U B1971 -10.765 -2.513 7.129 1.00 0.00 C ATOM 42369 O4 U B1971 -10.704 -2.069 8.276 1.00 0.00 O ATOM 42370 C5 U B1971 -11.564 -3.642 6.708 1.00 0.00 C ATOM 42371 C6 U B1971 -11.562 -4.053 5.427 1.00 0.00 C ATOM 42372 P G B1972 -7.861 -2.681 -0.769 1.00 0.00 P ATOM 42373 O1P G B1972 -7.572 -3.632 -1.866 1.00 0.00 O ATOM 42374 O2P G B1972 -6.927 -1.538 -0.648 1.00 0.00 O ATOM 42375 O5* G B1972 -9.362 -2.144 -0.896 1.00 0.00 O ATOM 42376 C5* G B1972 -9.783 -1.040 -0.076 1.00 0.00 C ATOM 42377 C4* G B1972 -11.189 -0.619 -0.449 1.00 0.00 C ATOM 42378 O4* G B1972 -11.169 -0.046 -1.785 1.00 0.00 O ATOM 42379 C3* G B1972 -12.215 -1.747 -0.548 1.00 0.00 C ATOM 42380 O3* G B1972 -12.754 -2.061 0.699 1.00 0.00 O ATOM 42381 C2* G B1972 -13.253 -1.155 -1.503 1.00 0.00 C ATOM 42382 O2* G B1972 -14.065 -0.205 -0.836 1.00 0.00 O ATOM 42383 C1* G B1972 -12.366 -0.379 -2.474 1.00 0.00 C ATOM 42384 N9 G B1972 -11.995 -1.152 -3.692 1.00 0.00 N ATOM 42385 C8 G B1972 -10.788 -1.729 -4.022 1.00 0.00 C ATOM 42386 N7 G B1972 -10.793 -2.345 -5.183 1.00 0.00 N ATOM 42387 C5 G B1972 -12.093 -2.159 -5.651 1.00 0.00 C ATOM 42388 C6 G B1972 -12.701 -2.596 -6.854 1.00 0.00 C ATOM 42389 O6 G B1972 -12.210 -3.249 -7.774 1.00 0.00 O ATOM 42390 N1 G B1972 -14.041 -2.191 -6.930 1.00 0.00 N ATOM 42391 C2 G B1972 -14.707 -1.456 -5.968 1.00 0.00 C ATOM 42392 N2 G B1972 -15.982 -1.168 -6.227 1.00 0.00 N ATOM 42393 N3 G B1972 -14.135 -1.048 -4.837 1.00 0.00 N ATOM 42394 C4 G B1972 -12.834 -1.434 -4.750 1.00 0.00 C ATOM 42395 P G B1973 -13.161 -3.612 1.009 1.00 0.00 P ATOM 42396 O1P G B1973 -13.354 -3.808 2.464 1.00 0.00 O ATOM 42397 O2P G B1973 -12.183 -4.516 0.362 1.00 0.00 O ATOM 42398 O5* G B1973 -14.568 -3.709 0.259 1.00 0.00 O ATOM 42399 C5* G B1973 -15.643 -2.844 0.670 1.00 0.00 C ATOM 42400 C4* G B1973 -16.832 -3.016 -0.253 1.00 0.00 C ATOM 42401 O4* G B1973 -16.483 -2.503 -1.572 1.00 0.00 O ATOM 42402 C3* G B1973 -17.263 -4.459 -0.521 1.00 0.00 C ATOM 42403 O3* G B1973 -18.103 -4.937 0.480 1.00 0.00 O ATOM 42404 C2* G B1973 -17.967 -4.334 -1.872 1.00 0.00 C ATOM 42405 O2* G B1973 -19.257 -3.768 -1.716 1.00 0.00 O ATOM 42406 C1* G B1973 -17.102 -3.294 -2.573 1.00 0.00 C ATOM 42407 N9 G B1973 -16.031 -3.879 -3.426 1.00 0.00 N ATOM 42408 C8 G B1973 -14.675 -3.943 -3.194 1.00 0.00 C ATOM 42409 N7 G B1973 -13.998 -4.532 -4.154 1.00 0.00 N ATOM 42410 C5 G B1973 -14.977 -4.879 -5.083 1.00 0.00 C ATOM 42411 C6 G B1973 -14.855 -5.542 -6.331 1.00 0.00 C ATOM 42412 O6 G B1973 -13.842 -5.969 -6.886 1.00 0.00 O ATOM 42413 N1 G B1973 -16.104 -5.697 -6.954 1.00 0.00 N ATOM 42414 C2 G B1973 -17.307 -5.265 -6.437 1.00 0.00 C ATOM 42415 N2 G B1973 -18.388 -5.505 -7.185 1.00 0.00 N ATOM 42416 N3 G B1973 -17.423 -4.643 -5.265 1.00 0.00 N ATOM 42417 C4 G B1973 -16.220 -4.487 -4.646 1.00 0.00 C ATOM 42418 P C B1974 -18.026 -6.515 0.887 1.00 0.00 P ATOM 42419 O1P C B1974 -18.703 -6.745 2.184 1.00 0.00 O ATOM 42420 O2P C B1974 -16.622 -6.974 0.802 1.00 0.00 O ATOM 42421 O5* C B1974 -18.883 -7.171 -0.298 1.00 0.00 O ATOM 42422 C5* C B1974 -20.261 -6.788 -0.454 1.00 0.00 C ATOM 42423 C4* C B1974 -20.838 -7.430 -1.699 1.00 0.00 C ATOM 42424 O4* C B1974 -20.198 -6.847 -2.869 1.00 0.00 O ATOM 42425 C3* C B1974 -20.588 -8.930 -1.851 1.00 0.00 C ATOM 42426 O3* C B1974 -21.531 -9.683 -1.154 1.00 0.00 O ATOM 42427 C2* C B1974 -20.688 -9.118 -3.364 1.00 0.00 C ATOM 42428 O2* C B1974 -22.041 -9.098 -3.787 1.00 0.00 O ATOM 42429 C1* C B1974 -20.044 -7.833 -3.876 1.00 0.00 C ATOM 42430 N1 C B1974 -18.590 -7.967 -4.168 1.00 0.00 N ATOM 42431 C2 C B1974 -18.220 -8.666 -5.316 1.00 0.00 C ATOM 42432 O2 C B1974 -19.105 -9.138 -6.036 1.00 0.00 O ATOM 42433 N3 C B1974 -16.899 -8.800 -5.601 1.00 0.00 N ATOM 42434 C4 C B1974 -15.970 -8.269 -4.793 1.00 0.00 C ATOM 42435 N4 C B1974 -14.697 -8.425 -5.119 1.00 0.00 N ATOM 42436 C5 C B1974 -16.329 -7.545 -3.613 1.00 0.00 C ATOM 42437 C6 C B1974 -17.654 -7.426 -3.344 1.00 0.00 C ATOM 42438 P G B1975 -21.069 -11.095 -0.482 1.00 0.00 P ATOM 42439 O1P G B1975 -22.076 -11.548 0.499 1.00 0.00 O ATOM 42440 O2P G B1975 -19.686 -10.969 0.025 1.00 0.00 O ATOM 42441 O5* G B1975 -21.090 -12.057 -1.762 1.00 0.00 O ATOM 42442 C5* G B1975 -22.328 -12.247 -2.471 1.00 0.00 C ATOM 42443 C4* G B1975 -22.096 -13.089 -3.709 1.00 0.00 C ATOM 42444 O4* G B1975 -21.293 -12.319 -4.654 1.00 0.00 O ATOM 42445 C3* G B1975 -21.290 -14.370 -3.502 1.00 0.00 C ATOM 42446 O3* G B1975 -22.100 -15.419 -3.076 1.00 0.00 O ATOM 42447 C2* G B1975 -20.703 -14.608 -4.893 1.00 0.00 C ATOM 42448 O2* G B1975 -21.688 -15.127 -5.770 1.00 0.00 O ATOM 42449 C1* G B1975 -20.409 -13.183 -5.351 1.00 0.00 C ATOM 42450 N9 G B1975 -19.014 -12.745 -5.072 1.00 0.00 N ATOM 42451 C8 G B1975 -18.554 -11.869 -4.112 1.00 0.00 C ATOM 42452 N7 G B1975 -17.255 -11.692 -4.130 1.00 0.00 N ATOM 42453 C5 G B1975 -16.824 -12.508 -5.175 1.00 0.00 C ATOM 42454 C6 G B1975 -15.519 -12.734 -5.680 1.00 0.00 C ATOM 42455 O6 G B1975 -14.450 -12.256 -5.299 1.00 0.00 O ATOM 42456 N1 G B1975 -15.531 -13.636 -6.754 1.00 0.00 N ATOM 42457 C2 G B1975 -16.661 -14.239 -7.274 1.00 0.00 C ATOM 42458 N2 G B1975 -16.462 -15.071 -8.297 1.00 0.00 N ATOM 42459 N3 G B1975 -17.887 -14.025 -6.798 1.00 0.00 N ATOM 42460 C4 G B1975 -17.890 -13.152 -5.756 1.00 0.00 C ATOM 42461 P U B1976 -21.479 -16.525 -2.050 1.00 0.00 P ATOM 42462 O1P U B1976 -22.564 -17.322 -1.434 1.00 0.00 O ATOM 42463 O2P U B1976 -20.555 -15.859 -1.105 1.00 0.00 O ATOM 42464 O5* U B1976 -20.648 -17.441 -3.065 1.00 0.00 O ATOM 42465 C5* U B1976 -21.344 -18.116 -4.130 1.00 0.00 C ATOM 42466 C4* U B1976 -20.355 -18.816 -5.036 1.00 0.00 C ATOM 42467 O4* U B1976 -19.571 -17.815 -5.742 1.00 0.00 O ATOM 42468 C3* U B1976 -19.304 -19.680 -4.335 1.00 0.00 C ATOM 42469 O3* U B1976 -19.791 -20.957 -4.056 1.00 0.00 O ATOM 42470 C2* U B1976 -18.170 -19.693 -5.358 1.00 0.00 C ATOM 42471 O2* U B1976 -18.468 -20.574 -6.427 1.00 0.00 O ATOM 42472 C1* U B1976 -18.240 -18.279 -5.916 1.00 0.00 C ATOM 42473 N1 U B1976 -17.327 -17.320 -5.232 1.00 0.00 N ATOM 42474 C2 U B1976 -15.987 -17.419 -5.513 1.00 0.00 C ATOM 42475 O2 U B1976 -15.534 -18.253 -6.283 1.00 0.00 O ATOM 42476 N3 U B1976 -15.171 -16.516 -4.861 1.00 0.00 N ATOM 42477 C4 U B1976 -15.576 -15.543 -3.973 1.00 0.00 C ATOM 42478 O4 U B1976 -14.752 -14.788 -3.449 1.00 0.00 O ATOM 42479 C5 U B1976 -17.000 -15.513 -3.741 1.00 0.00 C ATOM 42480 C6 U B1976 -17.815 -16.383 -4.362 1.00 0.00 C ATOM 42481 P A B1977 -18.918 -22.031 -2.824 1.00 0.00 P ATOM 42482 O1P A B1977 -19.922 -22.742 -2.003 1.00 0.00 O ATOM 42483 O2P A B1977 -17.907 -21.253 -2.068 1.00 0.00 O ATOM 42484 O5* A B1977 -18.102 -23.242 -3.960 1.00 0.00 O ATOM 42485 C5* A B1977 -17.232 -24.437 -3.855 1.00 0.00 C ATOM 42486 C4* A B1977 -17.312 -25.549 -5.070 1.00 0.00 C ATOM 42487 O4* A B1977 -17.766 -24.943 -6.317 1.00 0.00 O ATOM 42488 C3* A B1977 -16.237 -26.538 -5.507 1.00 0.00 C ATOM 42489 O3* A B1977 -15.516 -27.572 -4.562 1.00 0.00 O ATOM 42490 C2* A B1977 -16.795 -27.052 -6.828 1.00 0.00 C ATOM 42491 O2* A B1977 -17.844 -27.982 -6.605 1.00 0.00 O ATOM 42492 C1* A B1977 -17.432 -25.792 -7.407 1.00 0.00 C ATOM 42493 N9 A B1977 -16.436 -24.921 -8.479 1.00 0.00 N ATOM 42494 C8 A B1977 -16.809 -24.019 -9.453 1.00 0.00 C ATOM 42495 N7 A B1977 -15.811 -23.411 -10.014 1.00 0.00 N ATOM 42496 C5 A B1977 -14.694 -23.934 -9.372 1.00 0.00 C ATOM 42497 C6 A B1977 -13.319 -23.694 -9.512 1.00 0.00 C ATOM 42498 N6 A B1977 -12.810 -22.815 -10.394 1.00 0.00 N ATOM 42499 N1 A B1977 -12.483 -24.381 -8.716 1.00 0.00 N ATOM 42500 C2 A B1977 -12.998 -25.251 -7.845 1.00 0.00 C ATOM 42501 N3 A B1977 -14.253 -25.561 -7.628 1.00 0.00 N ATOM 42502 C4 A B1977 -15.073 -24.853 -8.435 1.00 0.00 C ATOM 42503 P A B1978 -16.039 -29.360 -4.412 1.00 0.00 P ATOM 42504 O1P A B1978 -16.700 -29.833 -5.651 1.00 0.00 O ATOM 42505 O2P A B1978 -16.819 -29.514 -3.162 1.00 0.00 O ATOM 42506 O5* A B1978 -14.428 -30.292 -4.274 1.00 0.00 O ATOM 42507 C5* A B1978 -14.260 -31.755 -4.034 1.00 0.00 C ATOM 42508 C4* A B1978 -12.980 -32.569 -4.697 1.00 0.00 C ATOM 42509 O4* A B1978 -11.856 -31.678 -4.949 1.00 0.00 O ATOM 42510 C3* A B1978 -12.334 -33.825 -4.117 1.00 0.00 C ATOM 42511 O3* A B1978 -13.141 -35.169 -4.025 1.00 0.00 O ATOM 42512 C2* A B1978 -11.025 -33.906 -4.909 1.00 0.00 C ATOM 42513 O2* A B1978 -11.268 -34.390 -6.223 1.00 0.00 O ATOM 42514 C1* A B1978 -10.656 -32.431 -5.039 1.00 0.00 C ATOM 42515 N9 A B1978 -9.582 -31.866 -3.857 1.00 0.00 N ATOM 42516 C8 A B1978 -9.684 -31.973 -2.485 1.00 0.00 C ATOM 42517 N7 A B1978 -8.794 -31.287 -1.836 1.00 0.00 N ATOM 42518 C5 A B1978 -8.054 -30.671 -2.830 1.00 0.00 C ATOM 42519 C6 A B1978 -6.954 -29.795 -2.795 1.00 0.00 C ATOM 42520 N6 A B1978 -6.388 -29.372 -1.654 1.00 0.00 N ATOM 42521 N1 A B1978 -6.459 -29.369 -3.967 1.00 0.00 N ATOM 42522 C2 A B1978 -7.025 -29.794 -5.097 1.00 0.00 C ATOM 42523 N3 A B1978 -8.049 -30.604 -5.256 1.00 0.00 N ATOM 42524 C4 A B1978 -8.525 -31.017 -4.066 1.00 0.00 C ATOM 42525 P U B1979 -12.381 -36.704 -3.325 1.00 0.00 P ATOM 42526 O1P U B1979 -11.190 -37.127 -4.090 1.00 0.00 O ATOM 42527 O2P U B1979 -13.355 -37.774 -3.004 1.00 0.00 O ATOM 42528 O5* U B1979 -11.926 -35.967 -1.979 1.00 0.00 O ATOM 42529 C5* U B1979 -10.966 -34.895 -2.060 1.00 0.00 C ATOM 42530 C4* U B1979 -10.778 -34.261 -0.698 1.00 0.00 C ATOM 42531 O4* U B1979 -12.008 -33.577 -0.321 1.00 0.00 O ATOM 42532 C3* U B1979 -10.532 -35.234 0.460 1.00 0.00 C ATOM 42533 O3* U B1979 -9.186 -35.586 0.552 1.00 0.00 O ATOM 42534 C2* U B1979 -11.014 -34.427 1.663 1.00 0.00 C ATOM 42535 O2* U B1979 -10.061 -33.441 2.023 1.00 0.00 O ATOM 42536 C1* U B1979 -12.214 -33.689 1.079 1.00 0.00 C ATOM 42537 N1 U B1979 -13.510 -34.388 1.297 1.00 0.00 N ATOM 42538 C2 U B1979 -14.036 -34.352 2.567 1.00 0.00 C ATOM 42539 O2 U B1979 -13.489 -33.779 3.492 1.00 0.00 O ATOM 42540 N3 U B1979 -15.238 -35.010 2.733 1.00 0.00 N ATOM 42541 C4 U B1979 -15.941 -35.689 1.755 1.00 0.00 C ATOM 42542 O4 U B1979 -17.011 -36.241 2.024 1.00 0.00 O ATOM 42543 C5 U B1979 -15.311 -35.674 0.456 1.00 0.00 C ATOM 42544 C6 U B1979 -14.139 -35.039 0.269 1.00 0.00 C ATOM 42545 P G B1980 -8.803 -37.092 1.055 1.00 0.00 P ATOM 42546 O1P G B1980 -7.389 -37.391 0.740 1.00 0.00 O ATOM 42547 O2P G B1980 -9.796 -38.053 0.529 1.00 0.00 O ATOM 42548 O5* G B1980 -8.983 -36.936 2.636 1.00 0.00 O ATOM 42549 C5* G B1980 -8.173 -35.977 3.340 1.00 0.00 C ATOM 42550 C4* G B1980 -8.596 -35.909 4.796 1.00 0.00 C ATOM 42551 O4* G B1980 -9.930 -35.329 4.870 1.00 0.00 O ATOM 42552 C3* G B1980 -8.737 -37.252 5.510 1.00 0.00 C ATOM 42553 O3* G B1980 -7.510 -37.703 5.998 1.00 0.00 O ATOM 42554 C2* G B1980 -9.725 -36.914 6.626 1.00 0.00 C ATOM 42555 O2* G B1980 -9.084 -36.200 7.668 1.00 0.00 O ATOM 42556 C1* G B1980 -10.659 -35.936 5.925 1.00 0.00 C ATOM 42557 N9 G B1980 -11.869 -36.578 5.336 1.00 0.00 N ATOM 42558 C8 G B1980 -12.158 -36.842 4.014 1.00 0.00 C ATOM 42559 N7 G B1980 -13.317 -37.424 3.830 1.00 0.00 N ATOM 42560 C5 G B1980 -13.832 -37.555 5.118 1.00 0.00 C ATOM 42561 C6 G B1980 -15.059 -38.113 5.559 1.00 0.00 C ATOM 42562 O6 G B1980 -15.963 -38.613 4.893 1.00 0.00 O ATOM 42563 N1 G B1980 -15.182 -38.043 6.954 1.00 0.00 N ATOM 42564 C2 G B1980 -14.241 -37.506 7.812 1.00 0.00 C ATOM 42565 N2 G B1980 -14.545 -37.534 9.110 1.00 0.00 N ATOM 42566 N3 G B1980 -13.089 -36.985 7.396 1.00 0.00 N ATOM 42567 C4 G B1980 -12.955 -37.042 6.044 1.00 0.00 C ATOM 42568 P A B1981 -6.860 -39.413 6.010 1.00 0.00 P ATOM 42569 O1P A B1981 -5.389 -39.392 5.842 1.00 0.00 O ATOM 42570 O2P A B1981 -7.600 -40.326 5.111 1.00 0.00 O ATOM 42571 O5* A B1981 -7.212 -39.644 7.789 1.00 0.00 O ATOM 42572 C5* A B1981 -6.771 -40.030 9.121 1.00 0.00 C ATOM 42573 C4* A B1981 -8.034 -40.365 10.107 1.00 0.00 C ATOM 42574 O4* A B1981 -9.289 -40.085 9.435 1.00 0.00 O ATOM 42575 C3* A B1981 -8.267 -41.717 10.783 1.00 0.00 C ATOM 42576 O3* A B1981 -7.309 -42.120 11.937 1.00 0.00 O ATOM 42577 C2* A B1981 -9.734 -41.616 11.198 1.00 0.00 C ATOM 42578 O2* A B1981 -9.875 -40.793 12.346 1.00 0.00 O ATOM 42579 C1* A B1981 -10.336 -40.849 10.026 1.00 0.00 C ATOM 42580 N9 A B1981 -11.026 -41.819 8.829 1.00 0.00 N ATOM 42581 C8 A B1981 -10.408 -42.424 7.757 1.00 0.00 C ATOM 42582 N7 A B1981 -11.231 -42.979 6.925 1.00 0.00 N ATOM 42583 C5 A B1981 -12.483 -42.731 7.469 1.00 0.00 C ATOM 42584 C6 A B1981 -13.780 -43.067 7.057 1.00 0.00 C ATOM 42585 N6 A B1981 -14.044 -43.759 5.940 1.00 0.00 N ATOM 42586 N1 A B1981 -14.803 -42.665 7.835 1.00 0.00 N ATOM 42587 C2 A B1981 -14.534 -41.979 8.943 1.00 0.00 C ATOM 42588 N3 A B1981 -13.368 -41.611 9.429 1.00 0.00 N ATOM 42589 C4 A B1981 -12.365 -42.027 8.633 1.00 0.00 C ATOM 42590 P U B1982 -7.453 -43.855 12.524 1.00 0.00 P ATOM 42591 O1P U B1982 -6.303 -44.334 13.321 1.00 0.00 O ATOM 42592 O2P U B1982 -7.852 -44.710 11.385 1.00 0.00 O ATOM 42593 O5* U B1982 -8.711 -43.614 13.485 1.00 0.00 O ATOM 42594 C5* U B1982 -8.598 -42.660 14.558 1.00 0.00 C ATOM 42595 C4* U B1982 -9.933 -42.500 15.254 1.00 0.00 C ATOM 42596 O4* U B1982 -10.867 -41.858 14.341 1.00 0.00 O ATOM 42597 C3* U B1982 -10.637 -43.800 15.649 1.00 0.00 C ATOM 42598 O3* U B1982 -10.174 -44.283 16.871 1.00 0.00 O ATOM 42599 C2* U B1982 -12.099 -43.366 15.703 1.00 0.00 C ATOM 42600 O2* U B1982 -12.363 -42.630 16.887 1.00 0.00 O ATOM 42601 C1* U B1982 -12.172 -42.379 14.541 1.00 0.00 C ATOM 42602 N1 U B1982 -12.622 -42.995 13.262 1.00 0.00 N ATOM 42603 C2 U B1982 -13.956 -43.305 13.151 1.00 0.00 C ATOM 42604 O2 U B1982 -14.758 -43.099 14.045 1.00 0.00 O ATOM 42605 N3 U B1982 -14.336 -43.873 11.952 1.00 0.00 N ATOM 42606 C4 U B1982 -13.514 -44.150 10.880 1.00 0.00 C ATOM 42607 O4 U B1982 -13.971 -44.659 9.853 1.00 0.00 O ATOM 42608 C5 U B1982 -12.134 -43.790 11.088 1.00 0.00 C ATOM 42609 C6 U B1982 -11.733 -43.235 12.246 1.00 0.00 C ATOM 42610 P G B1983 -10.100 -45.896 17.103 1.00 0.00 P ATOM 42611 O1P G B1983 -9.260 -46.209 18.278 1.00 0.00 O ATOM 42612 O2P G B1983 -9.708 -46.557 15.838 1.00 0.00 O ATOM 42613 O5* G B1983 -11.633 -46.224 17.430 1.00 0.00 O ATOM 42614 C5* G B1983 -12.249 -45.607 18.574 1.00 0.00 C ATOM 42615 C4* G B1983 -13.724 -45.954 18.622 1.00 0.00 C ATOM 42616 O4* G B1983 -14.395 -45.311 17.501 1.00 0.00 O ATOM 42617 C3* G B1983 -14.063 -47.437 18.453 1.00 0.00 C ATOM 42618 O3* G B1983 -13.970 -48.124 19.660 1.00 0.00 O ATOM 42619 C2* G B1983 -15.493 -47.377 17.918 1.00 0.00 C ATOM 42620 O2* G B1983 -16.407 -47.080 18.959 1.00 0.00 O ATOM 42621 C1* G B1983 -15.433 -46.150 17.016 1.00 0.00 C ATOM 42622 N9 G B1983 -15.139 -46.465 15.590 1.00 0.00 N ATOM 42623 C8 G B1983 -13.974 -46.279 14.880 1.00 0.00 C ATOM 42624 N7 G B1983 -14.043 -46.669 13.627 1.00 0.00 N ATOM 42625 C5 G B1983 -15.348 -47.146 13.502 1.00 0.00 C ATOM 42626 C6 G B1983 -16.015 -47.701 12.380 1.00 0.00 C ATOM 42627 O6 G B1983 -15.583 -47.887 11.246 1.00 0.00 O ATOM 42628 N1 G B1983 -17.334 -48.056 12.692 1.00 0.00 N ATOM 42629 C2 G B1983 -17.930 -47.899 13.926 1.00 0.00 C ATOM 42630 N2 G B1983 -19.200 -48.303 14.020 1.00 0.00 N ATOM 42631 N3 G B1983 -17.305 -47.381 14.982 1.00 0.00 N ATOM 42632 C4 G B1983 -16.024 -47.026 14.695 1.00 0.00 C ATOM 42633 P G B1984 -13.472 -49.678 19.643 1.00 0.00 P ATOM 42634 O1P G B1984 -13.087 -50.108 21.005 1.00 0.00 O ATOM 42635 O2P G B1984 -12.438 -49.851 18.598 1.00 0.00 O ATOM 42636 O5* G B1984 -14.819 -50.420 19.199 1.00 0.00 O ATOM 42637 C5* G B1984 -15.986 -50.304 20.033 1.00 0.00 C ATOM 42638 C4* G B1984 -17.169 -50.975 19.364 1.00 0.00 C ATOM 42639 O4* G B1984 -17.535 -50.213 18.179 1.00 0.00 O ATOM 42640 C3* G B1984 -16.921 -52.387 18.832 1.00 0.00 C ATOM 42641 O3* G B1984 -17.076 -53.345 19.832 1.00 0.00 O ATOM 42642 C2* G B1984 -17.978 -52.503 17.734 1.00 0.00 C ATOM 42643 O2* G B1984 -19.261 -52.725 18.295 1.00 0.00 O ATOM 42644 C1* G B1984 -17.980 -51.092 17.159 1.00 0.00 C ATOM 42645 N9 G B1984 -17.082 -50.924 15.982 1.00 0.00 N ATOM 42646 C8 G B1984 -15.862 -50.286 15.901 1.00 0.00 C ATOM 42647 N7 G B1984 -15.324 -50.318 14.706 1.00 0.00 N ATOM 42648 C5 G B1984 -16.252 -51.024 13.941 1.00 0.00 C ATOM 42649 C6 G B1984 -16.224 -51.378 12.568 1.00 0.00 C ATOM 42650 O6 G B1984 -15.361 -51.137 11.729 1.00 0.00 O ATOM 42651 N1 G B1984 -17.373 -52.094 12.200 1.00 0.00 N ATOM 42652 C2 G B1984 -18.409 -52.427 13.049 1.00 0.00 C ATOM 42653 N2 G B1984 -19.415 -53.115 12.506 1.00 0.00 N ATOM 42654 N3 G B1984 -18.435 -52.094 14.340 1.00 0.00 N ATOM 42655 C4 G B1984 -17.328 -51.398 14.711 1.00 0.00 C ATOM 42656 P C B1985 -16.136 -54.678 19.792 1.00 0.00 P ATOM 42657 O1P C B1985 -16.180 -55.376 21.098 1.00 0.00 O ATOM 42658 O2P C B1985 -14.788 -54.315 19.305 1.00 0.00 O ATOM 42659 O5* C B1985 -16.897 -55.550 18.688 1.00 0.00 O ATOM 42660 C5* C B1985 -18.262 -55.939 18.922 1.00 0.00 C ATOM 42661 C4* C B1985 -18.818 -56.645 17.703 1.00 0.00 C ATOM 42662 O4* C B1985 -18.932 -55.685 16.614 1.00 0.00 O ATOM 42663 C3* C B1985 -17.947 -57.757 17.122 1.00 0.00 C ATOM 42664 O3* C B1985 -18.151 -58.965 17.783 1.00 0.00 O ATOM 42665 C2* C B1985 -18.407 -57.798 15.666 1.00 0.00 C ATOM 42666 O2* C B1985 -19.662 -58.450 15.553 1.00 0.00 O ATOM 42667 C1* C B1985 -18.647 -56.320 15.377 1.00 0.00 C ATOM 42668 N1 C B1985 -17.477 -55.631 14.765 1.00 0.00 N ATOM 42669 C2 C B1985 -17.196 -55.897 13.428 1.00 0.00 C ATOM 42670 O2 C B1985 -17.924 -56.682 12.810 1.00 0.00 O ATOM 42671 N3 C B1985 -16.133 -55.279 12.850 1.00 0.00 N ATOM 42672 C4 C B1985 -15.369 -54.433 13.554 1.00 0.00 C ATOM 42673 N4 C B1985 -14.345 -53.858 12.945 1.00 0.00 N ATOM 42674 C5 C B1985 -15.643 -54.147 14.931 1.00 0.00 C ATOM 42675 C6 C B1985 -16.708 -54.775 15.489 1.00 0.00 C ATOM 42676 P C B1986 -16.889 -59.987 17.959 1.00 0.00 P ATOM 42677 O1P C B1986 -17.198 -61.013 18.982 1.00 0.00 O ATOM 42678 O2P C B1986 -15.651 -59.209 18.184 1.00 0.00 O ATOM 42679 O5* C B1986 -16.848 -60.665 16.510 1.00 0.00 O ATOM 42680 C5* C B1986 -17.996 -61.399 16.049 1.00 0.00 C ATOM 42681 C4* C B1986 -17.789 -61.843 14.616 1.00 0.00 C ATOM 42682 O4* C B1986 -17.782 -60.667 13.756 1.00 0.00 O ATOM 42683 C3* C B1986 -16.451 -62.522 14.315 1.00 0.00 C ATOM 42684 O3* C B1986 -16.490 -63.882 14.621 1.00 0.00 O ATOM 42685 C2* C B1986 -16.286 -62.259 12.820 1.00 0.00 C ATOM 42686 O2* C B1986 -17.121 -63.119 12.062 1.00 0.00 O ATOM 42687 C1* C B1986 -16.861 -60.852 12.692 1.00 0.00 C ATOM 42688 N1 C B1986 -15.835 -59.776 12.777 1.00 0.00 N ATOM 42689 C2 C B1986 -15.000 -59.585 11.684 1.00 0.00 C ATOM 42690 O2 C B1986 -15.141 -60.313 10.691 1.00 0.00 O ATOM 42691 N3 C B1986 -14.060 -58.609 11.741 1.00 0.00 N ATOM 42692 C4 C B1986 -13.939 -57.843 12.834 1.00 0.00 C ATOM 42693 N4 C B1986 -13.003 -56.906 12.843 1.00 0.00 N ATOM 42694 C5 C B1986 -14.787 -58.022 13.973 1.00 0.00 C ATOM 42695 C6 C B1986 -15.722 -59.004 13.894 1.00 0.00 C ATOM 42696 P A B1987 -15.132 -64.601 15.175 1.00 0.00 P ATOM 42697 O1P A B1987 -15.458 -65.912 15.778 1.00 0.00 O ATOM 42698 O2P A B1987 -14.396 -63.657 16.045 1.00 0.00 O ATOM 42699 O5* A B1987 -14.328 -64.817 13.808 1.00 0.00 O ATOM 42700 C5* A B1987 -14.911 -65.635 12.777 1.00 0.00 C ATOM 42701 C4* A B1987 -14.045 -65.604 11.536 1.00 0.00 C ATOM 42702 O4* A B1987 -14.093 -64.264 10.963 1.00 0.00 O ATOM 42703 C3* A B1987 -12.552 -65.850 11.759 1.00 0.00 C ATOM 42704 O3* A B1987 -12.262 -67.213 11.798 1.00 0.00 O ATOM 42705 C2* A B1987 -11.926 -65.151 10.554 1.00 0.00 C ATOM 42706 O2* A B1987 -12.085 -65.928 9.382 1.00 0.00 O ATOM 42707 C1* A B1987 -12.832 -63.931 10.405 1.00 0.00 C ATOM 42708 N9 A B1987 -12.325 -62.719 11.105 1.00 0.00 N ATOM 42709 C8 A B1987 -12.773 -62.138 12.272 1.00 0.00 C ATOM 42710 N7 A B1987 -12.109 -61.080 12.621 1.00 0.00 N ATOM 42711 C5 A B1987 -11.152 -60.940 11.627 1.00 0.00 C ATOM 42712 C6 A B1987 -10.130 -59.998 11.423 1.00 0.00 C ATOM 42713 N6 A B1987 -9.896 -58.970 12.250 1.00 0.00 N ATOM 42714 N1 A B1987 -9.357 -60.151 10.332 1.00 0.00 N ATOM 42715 C2 A B1987 -9.596 -61.173 9.513 1.00 0.00 C ATOM 42716 N3 A B1987 -10.518 -62.109 9.602 1.00 0.00 N ATOM 42717 C4 A B1987 -11.275 -61.935 10.700 1.00 0.00 C ATOM 42718 P G B1988 -11.062 -67.733 12.778 1.00 0.00 P ATOM 42719 O1P G B1988 -11.148 -69.199 12.960 1.00 0.00 O ATOM 42720 O2P G B1988 -11.059 -66.928 14.022 1.00 0.00 O ATOM 42721 O5* G B1988 -9.777 -67.374 11.896 1.00 0.00 O ATOM 42722 C5* G B1988 -9.628 -67.979 10.600 1.00 0.00 C ATOM 42723 C4* G B1988 -8.414 -67.405 9.897 1.00 0.00 C ATOM 42724 O4* G B1988 -8.672 -66.006 9.575 1.00 0.00 O ATOM 42725 C3* G B1988 -7.124 -67.364 10.716 1.00 0.00 C ATOM 42726 O3* G B1988 -6.448 -68.580 10.666 1.00 0.00 O ATOM 42727 C2* G B1988 -6.353 -66.231 10.041 1.00 0.00 C ATOM 42728 O2* G B1988 -5.794 -66.665 8.811 1.00 0.00 O ATOM 42729 C1* G B1988 -7.475 -65.255 9.697 1.00 0.00 C ATOM 42730 N9 G B1988 -7.691 -64.207 10.731 1.00 0.00 N ATOM 42731 C8 G B1988 -8.711 -64.088 11.652 1.00 0.00 C ATOM 42732 N7 G B1988 -8.608 -63.036 12.429 1.00 0.00 N ATOM 42733 C5 G B1988 -7.440 -62.414 11.990 1.00 0.00 C ATOM 42734 C6 G B1988 -6.807 -61.229 12.449 1.00 0.00 C ATOM 42735 O6 G B1988 -7.156 -60.469 13.349 1.00 0.00 O ATOM 42736 N1 G B1988 -5.639 -60.959 11.725 1.00 0.00 N ATOM 42737 C2 G B1988 -5.145 -61.731 10.692 1.00 0.00 C ATOM 42738 N2 G B1988 -4.013 -61.301 10.129 1.00 0.00 N ATOM 42739 N3 G B1988 -5.738 -62.843 10.263 1.00 0.00 N ATOM 42740 C4 G B1988 -6.874 -63.120 10.956 1.00 0.00 C ATOM 42741 P G B1989 -5.733 -68.561 12.571 1.00 0.00 P ATOM 42742 O1P G B1989 -6.469 -69.671 13.219 1.00 0.00 O ATOM 42743 O2P G B1989 -6.065 -67.198 13.048 1.00 0.00 O ATOM 42744 O5* G B1989 -3.875 -68.622 13.253 1.00 0.00 O ATOM 42745 C5* G B1989 -2.619 -68.782 14.289 1.00 0.00 C ATOM 42746 C4* G B1989 -2.058 -67.924 15.722 1.00 0.00 C ATOM 42747 O4* G B1989 -3.118 -67.148 16.354 1.00 0.00 O ATOM 42748 C3* G B1989 -0.921 -67.885 16.746 1.00 0.00 C ATOM 42749 O3* G B1989 0.224 -68.732 17.544 1.00 0.00 O ATOM 42750 C2* G B1989 -1.057 -66.480 17.325 1.00 0.00 C ATOM 42751 O2* G B1989 -0.548 -65.514 16.424 1.00 0.00 O ATOM 42752 C1* G B1989 -2.570 -66.304 17.352 1.00 0.00 C ATOM 42753 N9 G B1989 -3.314 -66.695 18.864 1.00 0.00 N ATOM 42754 C8 G B1989 -3.671 -67.930 19.367 1.00 0.00 C ATOM 42755 N7 G B1989 -4.301 -67.872 20.517 1.00 0.00 N ATOM 42756 C5 G B1989 -4.366 -66.509 20.798 1.00 0.00 C ATOM 42757 C6 G B1989 -4.931 -65.828 21.906 1.00 0.00 C ATOM 42758 O6 G B1989 -5.506 -66.297 22.886 1.00 0.00 O ATOM 42759 N1 G B1989 -4.770 -64.444 21.789 1.00 0.00 N ATOM 42760 C2 G B1989 -4.151 -63.797 20.739 1.00 0.00 C ATOM 42761 N2 G B1989 -4.102 -62.462 20.817 1.00 0.00 N ATOM 42762 N3 G B1989 -3.617 -64.434 19.701 1.00 0.00 N ATOM 42763 C4 G B1989 -3.763 -65.781 19.795 1.00 0.00 C ATOM 42764 P C B1990 2.050 -68.065 17.585 1.00 0.00 P ATOM 42765 O1P C B1990 1.855 -66.776 16.890 1.00 0.00 O ATOM 42766 O2P C B1990 2.893 -69.054 16.885 1.00 0.00 O ATOM 42767 O5* C B1990 3.073 -67.468 19.123 1.00 0.00 O ATOM 42768 C5* C B1990 4.545 -66.946 19.397 1.00 0.00 C ATOM 42769 C4* C B1990 4.999 -65.402 20.064 1.00 0.00 C ATOM 42770 O4* C B1990 3.692 -65.074 20.605 1.00 0.00 O ATOM 42771 C3* C B1990 5.974 -64.983 21.164 1.00 0.00 C ATOM 42772 O3* C B1990 7.420 -64.229 20.855 1.00 0.00 O ATOM 42773 C2* C B1990 5.305 -63.731 21.721 1.00 0.00 C ATOM 42774 O2* C B1990 5.496 -62.626 20.857 1.00 0.00 O ATOM 42775 C1* C B1990 3.829 -64.108 21.637 1.00 0.00 C ATOM 42776 N1 C B1990 3.176 -64.762 23.078 1.00 0.00 N ATOM 42777 C2 C B1990 2.330 -63.953 23.831 1.00 0.00 C ATOM 42778 O2 C B1990 2.117 -62.796 23.451 1.00 0.00 O ATOM 42779 N3 C B1990 1.770 -64.468 24.957 1.00 0.00 N ATOM 42780 C4 C B1990 2.026 -65.725 25.335 1.00 0.00 C ATOM 42781 N4 C B1990 1.452 -66.177 26.441 1.00 0.00 N ATOM 42782 C5 C B1990 2.892 -66.571 24.575 1.00 0.00 C ATOM 42783 C6 C B1990 3.444 -66.044 23.452 1.00 0.00 C ATOM 42784 P U B1991 9.211 -64.442 21.304 1.00 0.00 P ATOM 42785 O1P U B1991 9.757 -64.532 22.676 1.00 0.00 O ATOM 42786 O2P U B1991 10.033 -63.689 20.332 1.00 0.00 O ATOM 42787 O5* U B1991 8.912 -65.909 20.739 1.00 0.00 O ATOM 42788 C5* U B1991 8.397 -66.909 21.638 1.00 0.00 C ATOM 42789 C4* U B1991 8.073 -68.175 20.869 1.00 0.00 C ATOM 42790 O4* U B1991 6.944 -67.915 19.987 1.00 0.00 O ATOM 42791 C3* U B1991 9.167 -68.683 19.927 1.00 0.00 C ATOM 42792 O3* U B1991 10.103 -69.459 20.606 1.00 0.00 O ATOM 42793 C2* U B1991 8.363 -69.488 18.909 1.00 0.00 C ATOM 42794 O2* U B1991 7.971 -70.738 19.451 1.00 0.00 O ATOM 42795 C1* U B1991 7.099 -68.646 18.780 1.00 0.00 C ATOM 42796 N1 U B1991 7.144 -67.669 17.655 1.00 0.00 N ATOM 42797 C2 U B1991 7.006 -68.173 16.383 1.00 0.00 C ATOM 42798 O2 U B1991 6.852 -69.358 16.155 1.00 0.00 O ATOM 42799 N3 U B1991 7.052 -67.236 15.369 1.00 0.00 N ATOM 42800 C4 U B1991 7.224 -65.876 15.515 1.00 0.00 C ATOM 42801 O4 U B1991 7.250 -65.136 14.528 1.00 0.00 O ATOM 42802 C5 U B1991 7.360 -65.444 16.885 1.00 0.00 C ATOM 42803 C6 U B1991 7.321 -66.329 17.893 1.00 0.00 C ATOM 42804 P G B1992 11.761 -69.022 19.714 1.00 0.00 P ATOM 42805 O1P G B1992 11.360 -68.719 18.324 1.00 0.00 O ATOM 42806 O2P G B1992 12.713 -70.145 19.878 1.00 0.00 O ATOM 42807 O5* G B1992 12.575 -67.406 20.301 1.00 0.00 O ATOM 42808 C5* G B1992 13.687 -66.347 20.423 1.00 0.00 C ATOM 42809 C4* G B1992 14.309 -65.410 19.135 1.00 0.00 C ATOM 42810 O4* G B1992 13.284 -65.445 18.099 1.00 0.00 O ATOM 42811 C3* G B1992 14.718 -63.936 19.192 1.00 0.00 C ATOM 42812 O3* G B1992 16.260 -63.685 19.651 1.00 0.00 O ATOM 42813 C2* G B1992 14.621 -63.517 17.731 1.00 0.00 C ATOM 42814 O2* G B1992 15.732 -63.997 16.994 1.00 0.00 O ATOM 42815 C1* G B1992 13.405 -64.305 17.264 1.00 0.00 C ATOM 42816 N9 G B1992 11.925 -63.437 17.317 1.00 0.00 N ATOM 42817 C8 G B1992 11.003 -63.360 18.333 1.00 0.00 C ATOM 42818 N7 G B1992 9.889 -62.751 18.008 1.00 0.00 N ATOM 42819 C5 G B1992 10.091 -62.396 16.671 1.00 0.00 C ATOM 42820 C6 G B1992 9.237 -61.712 15.770 1.00 0.00 C ATOM 42821 O6 G B1992 8.106 -61.266 15.969 1.00 0.00 O ATOM 42822 N1 G B1992 9.834 -61.558 14.516 1.00 0.00 N ATOM 42823 C2 G B1992 11.094 -62.010 14.172 1.00 0.00 C ATOM 42824 N2 G B1992 11.486 -61.766 12.916 1.00 0.00 N ATOM 42825 N3 G B1992 11.894 -62.652 15.016 1.00 0.00 N ATOM 42826 C4 G B1992 11.330 -62.809 16.242 1.00 0.00 C ATOM 42827 P U B1993 17.877 -64.351 18.945 1.00 0.00 P ATOM 42828 O1P U B1993 18.866 -64.395 20.044 1.00 0.00 O ATOM 42829 O2P U B1993 18.350 -63.749 17.678 1.00 0.00 O ATOM 42830 O5* U B1993 17.306 -65.818 18.668 1.00 0.00 O ATOM 42831 C5* U B1993 16.831 -66.604 19.778 1.00 0.00 C ATOM 42832 C4* U B1993 16.226 -67.899 19.273 1.00 0.00 C ATOM 42833 O4* U B1993 15.004 -67.594 18.539 1.00 0.00 O ATOM 42834 C3* U B1993 17.072 -68.685 18.271 1.00 0.00 C ATOM 42835 O3* U B1993 18.005 -69.494 18.913 1.00 0.00 O ATOM 42836 C2* U B1993 16.012 -69.490 17.521 1.00 0.00 C ATOM 42837 O2* U B1993 15.561 -70.582 18.304 1.00 0.00 O ATOM 42838 C1* U B1993 14.860 -68.492 17.452 1.00 0.00 C ATOM 42839 N1 U B1993 14.836 -67.693 16.194 1.00 0.00 N ATOM 42840 C2 U B1993 14.422 -68.335 15.051 1.00 0.00 C ATOM 42841 O2 U B1993 14.083 -69.505 15.035 1.00 0.00 O ATOM 42842 N3 U B1993 14.413 -67.563 13.908 1.00 0.00 N ATOM 42843 C4 U B1993 14.776 -66.232 13.812 1.00 0.00 C ATOM 42844 O4 U B1993 14.727 -65.647 12.729 1.00 0.00 O ATOM 42845 C5 U B1993 15.197 -65.646 15.062 1.00 0.00 C ATOM 42846 C6 U B1993 15.214 -66.375 16.191 1.00 0.00 C ATOM 42847 P C B1994 19.451 -69.744 18.200 1.00 0.00 P ATOM 42848 O1P C B1994 20.415 -70.302 19.175 1.00 0.00 O ATOM 42849 O2P C B1994 19.876 -68.508 17.508 1.00 0.00 O ATOM 42850 O5* C B1994 19.063 -70.861 17.121 1.00 0.00 O ATOM 42851 C5* C B1994 18.535 -72.119 17.579 1.00 0.00 C ATOM 42852 C4* C B1994 18.125 -72.970 16.394 1.00 0.00 C ATOM 42853 O4* C B1994 16.978 -72.349 15.743 1.00 0.00 O ATOM 42854 C3* C B1994 19.160 -73.095 15.274 1.00 0.00 C ATOM 42855 O3* C B1994 20.081 -74.106 15.544 1.00 0.00 O ATOM 42856 C2* C B1994 18.280 -73.411 14.063 1.00 0.00 C ATOM 42857 O2* C B1994 17.849 -74.760 14.092 1.00 0.00 O ATOM 42858 C1* C B1994 17.055 -72.546 14.342 1.00 0.00 C ATOM 42859 N1 C B1994 17.107 -71.208 13.688 1.00 0.00 N ATOM 42860 C2 C B1994 16.901 -71.146 12.312 1.00 0.00 C ATOM 42861 O2 C B1994 16.683 -72.196 11.695 1.00 0.00 O ATOM 42862 N3 C B1994 16.944 -69.937 11.700 1.00 0.00 N ATOM 42863 C4 C B1994 17.185 -68.824 12.404 1.00 0.00 C ATOM 42864 N4 C B1994 17.215 -67.667 11.759 1.00 0.00 N ATOM 42865 C5 C B1994 17.398 -68.864 13.819 1.00 0.00 C ATOM 42866 C6 C B1994 17.351 -70.082 14.412 1.00 0.00 C ATOM 42867 P U B1995 21.620 -73.917 15.037 1.00 0.00 P ATOM 42868 O1P U B1995 22.509 -74.881 15.721 1.00 0.00 O ATOM 42869 O2P U B1995 22.007 -72.493 15.157 1.00 0.00 O ATOM 42870 O5* U B1995 21.478 -74.310 13.493 1.00 0.00 O ATOM 42871 C5* U B1995 21.026 -75.631 13.148 1.00 0.00 C ATOM 42872 C4* U B1995 20.847 -75.743 11.649 1.00 0.00 C ATOM 42873 O4* U B1995 19.734 -74.898 11.241 1.00 0.00 O ATOM 42874 C3* U B1995 22.018 -75.246 10.798 1.00 0.00 C ATOM 42875 O3* U B1995 22.996 -76.228 10.650 1.00 0.00 O ATOM 42876 C2* U B1995 21.331 -74.897 9.481 1.00 0.00 C ATOM 42877 O2* U B1995 21.032 -76.069 8.742 1.00 0.00 O ATOM 42878 C1* U B1995 20.001 -74.328 9.968 1.00 0.00 C ATOM 42879 N1 U B1995 20.001 -72.845 10.117 1.00 0.00 N ATOM 42880 C2 U B1995 19.956 -72.103 8.963 1.00 0.00 C ATOM 42881 O2 U B1995 19.920 -72.604 7.850 1.00 0.00 O ATOM 42882 N3 U B1995 19.956 -70.733 9.139 1.00 0.00 N ATOM 42883 C4 U B1995 19.999 -70.063 10.345 1.00 0.00 C ATOM 42884 O4 U B1995 19.996 -68.830 10.375 1.00 0.00 O ATOM 42885 C5 U B1995 20.043 -70.927 11.497 1.00 0.00 C ATOM 42886 C6 U B1995 20.042 -72.263 11.357 1.00 0.00 C ATOM 42887 P C B1996 23.740 -77.147 12.064 1.00 0.00 P ATOM 42888 O1P C B1996 24.175 -78.490 11.617 1.00 0.00 O ATOM 42889 O2P C B1996 22.913 -77.116 13.289 1.00 0.00 O ATOM 42890 O5* C B1996 25.152 -76.008 12.247 1.00 0.00 O ATOM 42891 C5* C B1996 25.815 -75.331 13.328 1.00 0.00 C ATOM 42892 C4* C B1996 26.018 -73.788 12.960 1.00 0.00 C ATOM 42893 O4* C B1996 25.818 -72.684 13.887 1.00 0.00 O ATOM 42894 C3* C B1996 26.963 -73.216 11.904 1.00 0.00 C ATOM 42895 O3* C B1996 27.149 -74.423 10.611 1.00 0.00 O ATOM 42896 C2* C B1996 26.494 -71.766 11.797 1.00 0.00 C ATOM 42897 O2* C B1996 25.288 -71.688 11.052 1.00 0.00 O ATOM 42898 C1* C B1996 26.135 -71.458 13.249 1.00 0.00 C ATOM 42899 N1 C B1996 27.375 -70.689 14.144 1.00 0.00 N ATOM 42900 C2 C B1996 26.995 -69.822 15.163 1.00 0.00 C ATOM 42901 O2 C B1996 25.793 -69.686 15.417 1.00 0.00 O ATOM 42902 N3 C B1996 27.962 -69.156 15.848 1.00 0.00 N ATOM 42903 C4 C B1996 29.256 -69.333 15.546 1.00 0.00 C ATOM 42904 N4 C B1996 30.162 -68.662 16.243 1.00 0.00 N ATOM 42905 C5 C B1996 29.665 -70.219 14.499 1.00 0.00 C ATOM 42906 C6 C B1996 28.685 -70.873 13.829 1.00 0.00 C ATOM 42907 P C B1997 25.643 -74.325 9.130 1.00 0.00 P ATOM 42908 O1P C B1997 25.937 -73.179 10.022 1.00 0.00 O ATOM 42909 O2P C B1997 24.318 -74.960 9.310 1.00 0.00 O ATOM 42910 O5* C B1997 25.827 -73.881 7.603 1.00 0.00 O ATOM 42911 C5* C B1997 25.803 -74.888 6.575 1.00 0.00 C ATOM 42912 C4* C B1997 25.866 -74.237 5.209 1.00 0.00 C ATOM 42913 O4* C B1997 24.628 -73.503 4.979 1.00 0.00 O ATOM 42914 C3* C B1997 26.958 -73.182 5.022 1.00 0.00 C ATOM 42915 O3* C B1997 28.179 -73.766 4.688 1.00 0.00 O ATOM 42916 C2* C B1997 26.386 -72.323 3.897 1.00 0.00 C ATOM 42917 O2* C B1997 26.523 -72.975 2.647 1.00 0.00 O ATOM 42918 C1* C B1997 24.899 -72.323 4.237 1.00 0.00 C ATOM 42919 N1 C B1997 24.472 -71.155 5.058 1.00 0.00 N ATOM 42920 C2 C B1997 24.379 -69.919 4.428 1.00 0.00 C ATOM 42921 O2 C B1997 24.649 -69.842 3.224 1.00 0.00 O ATOM 42922 N3 C B1997 23.993 -68.842 5.159 1.00 0.00 N ATOM 42923 C4 C B1997 23.707 -68.967 6.461 1.00 0.00 C ATOM 42924 N4 C B1997 23.334 -67.886 7.130 1.00 0.00 N ATOM 42925 C5 C B1997 23.799 -70.232 7.129 1.00 0.00 C ATOM 42926 C6 C B1997 24.187 -71.295 6.381 1.00 0.00 C ATOM 42927 P A B1998 29.555 -73.072 5.223 1.00 0.00 P ATOM 42928 O1P A B1998 30.691 -74.010 5.087 1.00 0.00 O ATOM 42929 O2P A B1998 29.334 -72.526 6.582 1.00 0.00 O ATOM 42930 O5* A B1998 29.716 -71.873 4.178 1.00 0.00 O ATOM 42931 C5* A B1998 29.852 -72.182 2.778 1.00 0.00 C ATOM 42932 C4* A B1998 29.864 -70.904 1.962 1.00 0.00 C ATOM 42933 O4* A B1998 28.546 -70.288 2.037 1.00 0.00 O ATOM 42934 C3* A B1998 30.811 -69.808 2.454 1.00 0.00 C ATOM 42935 O3* A B1998 32.104 -70.000 1.978 1.00 0.00 O ATOM 42936 C2* A B1998 30.158 -68.547 1.894 1.00 0.00 C ATOM 42937 O2* A B1998 30.413 -68.422 0.507 1.00 0.00 O ATOM 42938 C1* A B1998 28.674 -68.874 2.047 1.00 0.00 C ATOM 42939 N9 A B1998 28.075 -68.366 3.311 1.00 0.00 N ATOM 42940 C8 A B1998 27.710 -69.068 4.440 1.00 0.00 C ATOM 42941 N7 A B1998 27.213 -68.324 5.380 1.00 0.00 N ATOM 42942 C5 A B1998 27.244 -67.043 4.849 1.00 0.00 C ATOM 42943 C6 A B1998 26.848 -65.796 5.360 1.00 0.00 C ATOM 42944 N6 A B1998 26.318 -65.632 6.582 1.00 0.00 N ATOM 42945 N1 A B1998 27.014 -64.723 4.568 1.00 0.00 N ATOM 42946 C2 A B1998 27.542 -64.890 3.357 1.00 0.00 C ATOM 42947 N3 A B1998 27.946 -65.999 2.777 1.00 0.00 N ATOM 42948 C4 A B1998 27.766 -67.061 3.591 1.00 0.00 C ATOM 42949 P C B1999 33.362 -69.560 2.925 1.00 0.00 P ATOM 42950 O1P C B1999 34.616 -70.166 2.422 1.00 0.00 O ATOM 42951 O2P C B1999 33.034 -69.838 4.340 1.00 0.00 O ATOM 42952 O5* C B1999 33.388 -67.980 2.676 1.00 0.00 O ATOM 42953 C5* C B1999 33.600 -67.487 1.339 1.00 0.00 C ATOM 42954 C4* C B1999 33.462 -65.977 1.315 1.00 0.00 C ATOM 42955 O4* C B1999 32.071 -65.629 1.575 1.00 0.00 O ATOM 42956 C3* C B1999 34.240 -65.220 2.390 1.00 0.00 C ATOM 42957 O3* C B1999 35.560 -65.000 2.006 1.00 0.00 O ATOM 42958 C2* C B1999 33.438 -63.926 2.512 1.00 0.00 C ATOM 42959 O2* C B1999 33.710 -63.061 1.421 1.00 0.00 O ATOM 42960 C1* C B1999 32.011 -64.430 2.332 1.00 0.00 C ATOM 42961 N1 C B1999 31.316 -64.733 3.613 1.00 0.00 N ATOM 42962 C2 C B1999 30.887 -63.656 4.387 1.00 0.00 C ATOM 42963 O2 C B1999 31.103 -62.506 3.982 1.00 0.00 O ATOM 42964 N3 C B1999 30.253 -63.909 5.562 1.00 0.00 N ATOM 42965 C4 C B1999 30.042 -65.167 5.966 1.00 0.00 C ATOM 42966 N4 C B1999 29.417 -65.360 7.117 1.00 0.00 N ATOM 42967 C5 C B1999 30.473 -66.286 5.185 1.00 0.00 C ATOM 42968 C6 C B1999 31.105 -66.014 4.018 1.00 0.00 C ATOM 42969 P C B2000 36.721 -65.000 3.153 1.00 0.00 P ATOM 42970 O1P C B2000 38.059 -65.122 2.528 1.00 0.00 O ATOM 42971 O2P C B2000 36.398 -66.018 4.181 1.00 0.00 O ATOM 42972 O5* C B2000 36.542 -63.534 3.766 1.00 0.00 O ATOM 42973 C5* C B2000 36.722 -62.393 2.910 1.00 0.00 C ATOM 42974 C4* C B2000 36.382 -61.121 3.660 1.00 0.00 C ATOM 42975 O4* C B2000 34.951 -61.105 3.936 1.00 0.00 O ATOM 42976 C3* C B2000 37.022 -60.973 5.042 1.00 0.00 C ATOM 42977 O3* C B2000 38.312 -60.452 4.954 1.00 0.00 O ATOM 42978 C2* C B2000 36.053 -60.025 5.745 1.00 0.00 C ATOM 42979 O2* C B2000 36.232 -58.693 5.293 1.00 0.00 O ATOM 42980 C1* C B2000 34.710 -60.499 5.197 1.00 0.00 C ATOM 42981 N1 C B2000 34.029 -61.500 6.063 1.00 0.00 N ATOM 42982 C2 C B2000 33.443 -61.046 7.242 1.00 0.00 C ATOM 42983 O2 C B2000 33.510 -59.841 7.514 1.00 0.00 O ATOM 42984 N3 C B2000 32.816 -61.943 8.048 1.00 0.00 N ATOM 42985 C4 C B2000 32.764 -63.238 7.715 1.00 0.00 C ATOM 42986 N4 C B2000 32.142 -64.073 8.534 1.00 0.00 N ATOM 42987 C5 C B2000 33.362 -63.726 6.509 1.00 0.00 C ATOM 42988 C6 C B2000 33.982 -62.816 5.718 1.00 0.00 C ATOM 42989 P C B2001 39.431 -60.943 6.031 1.00 0.00 P ATOM 42990 O1P C B2001 40.789 -60.580 5.562 1.00 0.00 O ATOM 42991 O2P C B2001 39.221 -62.374 6.344 1.00 0.00 O ATOM 42992 O5* C B2001 39.041 -60.047 7.300 1.00 0.00 O ATOM 42993 C5* C B2001 39.091 -58.613 7.184 1.00 0.00 C ATOM 42994 C4* C B2001 38.562 -57.972 8.452 1.00 0.00 C ATOM 42995 O4* C B2001 37.137 -58.248 8.562 1.00 0.00 O ATOM 42996 C3* C B2001 39.143 -58.512 9.759 1.00 0.00 C ATOM 42997 O3* C B2001 40.351 -57.897 10.077 1.00 0.00 O ATOM 42998 C2* C B2001 38.036 -58.183 10.760 1.00 0.00 C ATOM 42999 O2* C B2001 38.049 -56.803 11.090 1.00 0.00 O ATOM 43000 C1* C B2001 36.784 -58.428 9.923 1.00 0.00 C ATOM 43001 N1 C B2001 36.222 -59.798 10.077 1.00 0.00 N ATOM 43002 C2 C B2001 35.547 -60.096 11.259 1.00 0.00 C ATOM 43003 O2 C B2001 35.445 -59.218 12.124 1.00 0.00 O ATOM 43004 N3 C B2001 35.028 -61.339 11.418 1.00 0.00 N ATOM 43005 C4 C B2001 35.159 -62.263 10.457 1.00 0.00 C ATOM 43006 N4 C B2001 34.634 -63.458 10.659 1.00 0.00 N ATOM 43007 C5 C B2001 35.846 -61.976 9.232 1.00 0.00 C ATOM 43008 C6 C B2001 36.361 -60.727 9.094 1.00 0.00 C ATOM 43009 P G B2002 41.501 -58.768 10.841 1.00 0.00 P ATOM 43010 O1P G B2002 42.808 -58.078 10.756 1.00 0.00 O ATOM 43011 O2P G B2002 41.474 -60.161 10.340 1.00 0.00 O ATOM 43012 O5* G B2002 40.960 -58.722 12.345 1.00 0.00 O ATOM 43013 C5* G B2002 40.816 -57.448 12.998 1.00 0.00 C ATOM 43014 C4* G B2002 40.176 -57.631 14.359 1.00 0.00 C ATOM 43015 O4* G B2002 38.798 -58.062 14.178 1.00 0.00 O ATOM 43016 C3* G B2002 40.792 -58.717 15.242 1.00 0.00 C ATOM 43017 O3* G B2002 41.897 -58.246 15.944 1.00 0.00 O ATOM 43018 C2* G B2002 39.624 -59.078 16.161 1.00 0.00 C ATOM 43019 O2* G B2002 39.444 -58.087 17.160 1.00 0.00 O ATOM 43020 C1* G B2002 38.437 -58.969 15.210 1.00 0.00 C ATOM 43021 N9 G B2002 38.060 -60.264 14.572 1.00 0.00 N ATOM 43022 C8 G B2002 38.267 -60.689 13.277 1.00 0.00 C ATOM 43023 N7 G B2002 37.809 -61.892 13.035 1.00 0.00 N ATOM 43024 C5 G B2002 37.260 -62.293 14.252 1.00 0.00 C ATOM 43025 C6 G B2002 36.614 -63.503 14.611 1.00 0.00 C ATOM 43026 O6 G B2002 36.389 -64.490 13.916 1.00 0.00 O ATOM 43027 N1 G B2002 36.209 -63.490 15.951 1.00 0.00 N ATOM 43028 C2 G B2002 36.403 -62.444 16.833 1.00 0.00 C ATOM 43029 N2 G B2002 35.944 -62.627 18.073 1.00 0.00 N ATOM 43030 N3 G B2002 37.009 -61.309 16.495 1.00 0.00 N ATOM 43031 C4 G B2002 37.409 -61.303 15.197 1.00 0.00 C ATOM 43032 P A B2003 43.134 -59.267 16.243 1.00 0.00 P ATOM 43033 O1P A B2003 44.337 -58.509 16.655 1.00 0.00 O ATOM 43034 O2P A B2003 43.307 -60.182 15.092 1.00 0.00 O ATOM 43035 O5* A B2003 42.553 -60.080 17.496 1.00 0.00 O ATOM 43036 C5* A B2003 42.226 -59.362 18.700 1.00 0.00 C ATOM 43037 C4* A B2003 41.579 -60.299 19.702 1.00 0.00 C ATOM 43038 O4* A B2003 40.276 -60.707 19.194 1.00 0.00 O ATOM 43039 C3* A B2003 42.308 -61.621 19.942 1.00 0.00 C ATOM 43040 O3* A B2003 43.325 -61.480 20.886 1.00 0.00 O ATOM 43041 C2* A B2003 41.180 -62.527 20.425 1.00 0.00 C ATOM 43042 O2* A B2003 40.841 -62.238 21.771 1.00 0.00 O ATOM 43043 C1* A B2003 40.014 -62.051 19.563 1.00 0.00 C ATOM 43044 N9 A B2003 39.828 -62.841 18.314 1.00 0.00 N ATOM 43045 C8 A B2003 40.125 -62.495 17.017 1.00 0.00 C ATOM 43046 N7 A B2003 39.843 -63.417 16.148 1.00 0.00 N ATOM 43047 C5 A B2003 39.321 -64.451 16.913 1.00 0.00 C ATOM 43048 C6 A B2003 38.832 -65.725 16.578 1.00 0.00 C ATOM 43049 N6 A B2003 38.786 -66.191 15.321 1.00 0.00 N ATOM 43050 N1 A B2003 38.389 -66.502 17.582 1.00 0.00 N ATOM 43051 C2 A B2003 38.440 -66.032 18.827 1.00 0.00 C ATOM 43052 N3 A B2003 38.876 -64.868 19.259 1.00 0.00 N ATOM 43053 C4 A B2003 39.312 -64.109 18.234 1.00 0.00 C ATOM 43054 P G B2004 44.679 -62.380 20.722 1.00 0.00 P ATOM 43055 O1P G B2004 45.759 -61.835 21.576 1.00 0.00 O ATOM 43056 O2P G B2004 45.003 -62.522 19.286 1.00 0.00 O ATOM 43057 O5* G B2004 44.180 -63.782 21.308 1.00 0.00 O ATOM 43058 C5* G B2004 43.727 -63.848 22.674 1.00 0.00 C ATOM 43059 C4* G B2004 43.187 -65.231 22.975 1.00 0.00 C ATOM 43060 O4* G B2004 41.963 -65.436 22.213 1.00 0.00 O ATOM 43061 C3* G B2004 44.082 -66.398 22.558 1.00 0.00 C ATOM 43062 O3* G B2004 45.044 -66.678 23.526 1.00 0.00 O ATOM 43063 C2* G B2004 43.071 -67.532 22.392 1.00 0.00 C ATOM 43064 O2* G B2004 42.665 -68.032 23.654 1.00 0.00 O ATOM 43065 C1* G B2004 41.875 -66.791 21.801 1.00 0.00 C ATOM 43066 N9 G B2004 41.831 -66.820 20.311 1.00 0.00 N ATOM 43067 C8 G B2004 42.112 -65.813 19.415 1.00 0.00 C ATOM 43068 N7 G B2004 41.975 -66.164 18.157 1.00 0.00 N ATOM 43069 C5 G B2004 41.574 -67.499 18.230 1.00 0.00 C ATOM 43070 C6 G B2004 41.276 -68.419 17.191 1.00 0.00 C ATOM 43071 O6 G B2004 41.299 -68.244 15.978 1.00 0.00 O ATOM 43072 N1 G B2004 40.912 -69.670 17.708 1.00 0.00 N ATOM 43073 C2 G B2004 40.850 -69.993 19.051 1.00 0.00 C ATOM 43074 N2 G B2004 40.481 -71.242 19.339 1.00 0.00 N ATOM 43075 N3 G B2004 41.135 -69.127 20.024 1.00 0.00 N ATOM 43076 C4 G B2004 41.485 -67.908 19.541 1.00 0.00 C ATOM 43077 P A B2005 46.511 -65.673 23.917 1.00 0.00 P ATOM 43078 O1P A B2005 47.640 -66.529 24.343 1.00 0.00 O ATOM 43079 O2P A B2005 46.175 -64.553 24.825 1.00 0.00 O ATOM 43080 O5* A B2005 46.696 -65.154 22.187 1.00 0.00 O ATOM 43081 C5* A B2005 47.827 -64.330 21.897 1.00 0.00 C ATOM 43082 C4* A B2005 48.692 -64.769 20.598 1.00 0.00 C ATOM 43083 O4* A B2005 47.972 -65.341 19.466 1.00 0.00 O ATOM 43084 C3* A B2005 49.510 -63.635 19.972 1.00 0.00 C ATOM 43085 O3* A B2005 50.581 -63.348 21.086 1.00 0.00 O ATOM 43086 C2* A B2005 49.895 -64.229 18.619 1.00 0.00 C ATOM 43087 O2* A B2005 50.936 -65.173 18.761 1.00 0.00 O ATOM 43088 C1* A B2005 48.633 -65.006 18.257 1.00 0.00 C ATOM 43089 N9 A B2005 47.548 -64.168 17.274 1.00 0.00 N ATOM 43090 C8 A B2005 46.426 -63.468 17.646 1.00 0.00 C ATOM 43091 N7 A B2005 45.705 -63.058 16.645 1.00 0.00 N ATOM 43092 C5 A B2005 46.394 -63.518 15.532 1.00 0.00 C ATOM 43093 C6 A B2005 46.140 -63.406 14.153 1.00 0.00 C ATOM 43094 N6 A B2005 45.077 -62.770 13.644 1.00 0.00 N ATOM 43095 N1 A B2005 47.027 -63.977 13.313 1.00 0.00 N ATOM 43096 C2 A B2005 48.078 -64.604 13.824 1.00 0.00 C ATOM 43097 N3 A B2005 48.418 -64.770 15.087 1.00 0.00 N ATOM 43098 C4 A B2005 47.517 -64.192 15.905 1.00 0.00 C ATOM 43099 P C B2006 52.314 -62.851 20.736 1.00 0.00 P ATOM 43100 O1P C B2006 52.769 -61.790 21.662 1.00 0.00 O ATOM 43101 O2P C B2006 52.441 -62.545 19.292 1.00 0.00 O ATOM 43102 O5* C B2006 53.070 -64.221 21.069 1.00 0.00 O ATOM 43103 C5* C B2006 53.149 -64.661 22.438 1.00 0.00 C ATOM 43104 C4* C B2006 53.793 -66.031 22.504 1.00 0.00 C ATOM 43105 O4* C B2006 52.892 -67.003 21.903 1.00 0.00 O ATOM 43106 C3* C B2006 55.096 -66.197 21.719 1.00 0.00 C ATOM 43107 O3* C B2006 56.196 -65.760 22.454 1.00 0.00 O ATOM 43108 C2* C B2006 55.119 -67.702 21.459 1.00 0.00 C ATOM 43109 O2* C B2006 55.501 -68.410 22.629 1.00 0.00 O ATOM 43110 C1* C B2006 53.641 -67.998 21.223 1.00 0.00 C ATOM 43111 N1 C B2006 53.248 -67.972 19.788 1.00 0.00 N ATOM 43112 C2 C B2006 53.638 -69.042 18.988 1.00 0.00 C ATOM 43113 O2 C B2006 54.290 -69.960 19.496 1.00 0.00 O ATOM 43114 N3 C B2006 53.290 -69.035 17.677 1.00 0.00 N ATOM 43115 C4 C B2006 52.584 -68.018 17.162 1.00 0.00 C ATOM 43116 N4 C B2006 52.268 -68.064 15.875 1.00 0.00 N ATOM 43117 C5 C B2006 52.171 -66.910 17.969 1.00 0.00 C ATOM 43118 C6 C B2006 52.531 -66.936 19.276 1.00 0.00 C ATOM 43119 P U B2007 57.446 -65.073 21.661 1.00 0.00 P ATOM 43120 O1P U B2007 58.322 -64.358 22.611 1.00 0.00 O ATOM 43121 O2P U B2007 56.928 -64.269 20.530 1.00 0.00 O ATOM 43122 O5* U B2007 58.195 -66.370 21.101 1.00 0.00 O ATOM 43123 C5* U B2007 58.702 -67.341 22.037 1.00 0.00 C ATOM 43124 C4* U B2007 59.258 -68.537 21.292 1.00 0.00 C ATOM 43125 O4* U B2007 58.159 -69.244 20.646 1.00 0.00 O ATOM 43126 C3* U B2007 60.216 -68.221 20.144 1.00 0.00 C ATOM 43127 O3* U B2007 61.519 -68.034 20.602 1.00 0.00 O ATOM 43128 C2* U B2007 60.077 -69.458 19.259 1.00 0.00 C ATOM 43129 O2* U B2007 60.783 -70.557 19.814 1.00 0.00 O ATOM 43130 C1* U B2007 58.589 -69.773 19.404 1.00 0.00 C ATOM 43131 N1 U B2007 57.745 -69.175 18.331 1.00 0.00 N ATOM 43132 C2 U B2007 57.807 -69.756 17.089 1.00 0.00 C ATOM 43133 O2 U B2007 58.508 -70.723 16.843 1.00 0.00 O ATOM 43134 N3 U B2007 57.011 -69.176 16.122 1.00 0.00 N ATOM 43135 C4 U B2007 56.182 -68.086 16.289 1.00 0.00 C ATOM 43136 O4 U B2007 55.517 -67.652 15.345 1.00 0.00 O ATOM 43137 C5 U B2007 56.187 -67.543 17.627 1.00 0.00 C ATOM 43138 C6 U B2007 56.951 -68.088 18.589 1.00 0.00 C ATOM 43139 P C B2008 62.472 -66.951 19.835 1.00 0.00 P ATOM 43140 O1P C B2008 63.651 -66.627 20.668 1.00 0.00 O ATOM 43141 O2P C B2008 61.652 -65.797 19.399 1.00 0.00 O ATOM 43142 O5* C B2008 62.927 -67.803 18.560 1.00 0.00 O ATOM 43143 C5* C B2008 63.662 -69.024 18.764 1.00 0.00 C ATOM 43144 C4* C B2008 63.876 -69.725 17.436 1.00 0.00 C ATOM 43145 O4* C B2008 62.592 -70.195 16.933 1.00 0.00 O ATOM 43146 C3* C B2008 64.420 -68.853 16.302 1.00 0.00 C ATOM 43147 O3* C B2008 65.808 -68.749 16.356 1.00 0.00 O ATOM 43148 C2* C B2008 63.931 -69.601 15.065 1.00 0.00 C ATOM 43149 O2* C B2008 64.725 -70.750 14.824 1.00 0.00 O ATOM 43150 C1* C B2008 62.561 -70.092 15.519 1.00 0.00 C ATOM 43151 N1 C B2008 61.445 -69.181 15.150 1.00 0.00 N ATOM 43152 C2 C B2008 61.044 -69.154 13.816 1.00 0.00 C ATOM 43153 O2 C B2008 61.627 -69.882 13.005 1.00 0.00 O ATOM 43154 N3 C B2008 60.027 -68.330 13.457 1.00 0.00 N ATOM 43155 C4 C B2008 59.422 -67.557 14.366 1.00 0.00 C ATOM 43156 N4 C B2008 58.434 -66.769 13.963 1.00 0.00 N ATOM 43157 C5 C B2008 59.818 -67.568 15.741 1.00 0.00 C ATOM 43158 C6 C B2008 60.838 -68.399 16.081 1.00 0.00 C ATOM 43159 P A B2009 66.509 -67.355 15.881 1.00 0.00 P ATOM 43160 O1P A B2009 67.914 -67.301 16.348 1.00 0.00 O ATOM 43161 O2P A B2009 65.654 -66.212 16.277 1.00 0.00 O ATOM 43162 O5* A B2009 66.475 -67.527 14.291 1.00 0.00 O ATOM 43163 C5* A B2009 67.168 -68.637 13.694 1.00 0.00 C ATOM 43164 C4* A B2009 66.901 -68.679 12.202 1.00 0.00 C ATOM 43165 O4* A B2009 65.499 -69.015 11.984 1.00 0.00 O ATOM 43166 C3* A B2009 67.084 -67.355 11.457 1.00 0.00 C ATOM 43167 O3* A B2009 68.415 -67.146 11.106 1.00 0.00 O ATOM 43168 C2* A B2009 66.176 -67.547 10.244 1.00 0.00 C ATOM 43169 O2* A B2009 66.786 -68.400 9.289 1.00 0.00 O ATOM 43170 C1* A B2009 65.010 -68.319 10.852 1.00 0.00 C ATOM 43171 N9 A B2009 63.882 -67.455 11.290 1.00 0.00 N ATOM 43172 C8 A B2009 63.507 -67.101 12.569 1.00 0.00 C ATOM 43173 N7 A B2009 62.467 -66.323 12.618 1.00 0.00 N ATOM 43174 C5 A B2009 62.121 -66.142 11.284 1.00 0.00 C ATOM 43175 C6 A B2009 61.097 -65.411 10.662 1.00 0.00 C ATOM 43176 N6 A B2009 60.188 -64.695 11.338 1.00 0.00 N ATOM 43177 N1 A B2009 61.039 -65.444 9.319 1.00 0.00 N ATOM 43178 C2 A B2009 61.948 -66.158 8.654 1.00 0.00 C ATOM 43179 N3 A B2009 62.946 -66.876 9.123 1.00 0.00 N ATOM 43180 C4 A B2009 62.979 -66.826 10.471 1.00 0.00 C ATOM 43181 P G B2010 69.716 -66.155 12.205 1.00 0.00 P ATOM 43182 O1P G B2010 71.193 -66.186 12.104 1.00 0.00 O ATOM 43183 O2P G B2010 69.168 -65.583 13.456 1.00 0.00 O ATOM 43184 O5* G B2010 69.104 -65.386 10.942 1.00 0.00 O ATOM 43185 C5* G B2010 69.436 -65.839 9.618 1.00 0.00 C ATOM 43186 C4* G B2010 68.654 -65.053 8.588 1.00 0.00 C ATOM 43187 O4* G B2010 67.243 -65.393 8.707 1.00 0.00 O ATOM 43188 C3* G B2010 68.679 -63.531 8.749 1.00 0.00 C ATOM 43189 O3* G B2010 69.816 -62.974 8.162 1.00 0.00 O ATOM 43190 C2* G B2010 67.391 -63.111 8.049 1.00 0.00 C ATOM 43191 O2* G B2010 67.541 -63.165 6.640 1.00 0.00 O ATOM 43192 C1* G B2010 66.448 -64.247 8.440 1.00 0.00 C ATOM 43193 N9 G B2010 65.635 -63.958 9.653 1.00 0.00 N ATOM 43194 C8 G B2010 65.768 -64.461 10.930 1.00 0.00 C ATOM 43195 N7 G B2010 64.879 -63.997 11.780 1.00 0.00 N ATOM 43196 C5 G B2010 64.106 -63.131 11.012 1.00 0.00 C ATOM 43197 C6 G B2010 62.989 -62.336 11.378 1.00 0.00 C ATOM 43198 O6 G B2010 62.445 -62.229 12.474 1.00 0.00 O ATOM 43199 N1 G B2010 62.503 -61.603 10.287 1.00 0.00 N ATOM 43200 C2 G B2010 63.026 -61.632 9.008 1.00 0.00 C ATOM 43201 N2 G B2010 62.419 -60.861 8.103 1.00 0.00 N ATOM 43202 N3 G B2010 64.074 -62.381 8.665 1.00 0.00 N ATOM 43203 C4 G B2010 64.557 -63.098 9.712 1.00 0.00 C ATOM 43204 P U B2011 70.490 -61.655 8.847 1.00 0.00 P ATOM 43205 O1P U B2011 71.854 -61.442 8.315 1.00 0.00 O ATOM 43206 O2P U B2011 70.380 -61.757 10.320 1.00 0.00 O ATOM 43207 O5* U B2011 69.513 -60.506 8.308 1.00 0.00 O ATOM 43208 C5* U B2011 69.397 -60.299 6.889 1.00 0.00 C ATOM 43209 C4* U B2011 68.335 -59.256 6.604 1.00 0.00 C ATOM 43210 O4* U B2011 67.032 -59.799 6.965 1.00 0.00 O ATOM 43211 C3* U B2011 68.431 -57.965 7.419 1.00 0.00 C ATOM 43212 O3* U B2011 69.325 -57.061 6.840 1.00 0.00 O ATOM 43213 C2* U B2011 66.989 -57.464 7.396 1.00 0.00 C ATOM 43214 O2* U B2011 66.678 -56.886 6.139 1.00 0.00 O ATOM 43215 C1* U B2011 66.210 -58.771 7.488 1.00 0.00 C ATOM 43216 N1 U B2011 65.833 -59.146 8.880 1.00 0.00 N ATOM 43217 C2 U B2011 64.818 -58.430 9.468 1.00 0.00 C ATOM 43218 O2 U B2011 64.230 -57.525 8.901 1.00 0.00 O ATOM 43219 N3 U B2011 64.495 -58.806 10.758 1.00 0.00 N ATOM 43220 C4 U B2011 65.090 -59.811 11.489 1.00 0.00 C ATOM 43221 O4 U B2011 64.718 -60.057 12.640 1.00 0.00 O ATOM 43222 C5 U B2011 66.149 -60.503 10.791 1.00 0.00 C ATOM 43223 C6 U B2011 66.483 -60.159 9.534 1.00 0.00 C ATOM 43224 P G B2012 69.630 -55.191 6.883 1.00 0.00 P ATOM 43225 O1P G B2012 69.319 -54.655 5.537 1.00 0.00 O ATOM 43226 O2P G B2012 71.048 -55.121 7.289 1.00 0.00 O ATOM 43227 O5* G B2012 68.569 -54.119 8.003 1.00 0.00 O ATOM 43228 C5* G B2012 68.193 -52.661 8.204 1.00 0.00 C ATOM 43229 C4* G B2012 68.328 -51.522 6.982 1.00 0.00 C ATOM 43230 O4* G B2012 68.786 -52.219 5.785 1.00 0.00 O ATOM 43231 C3* G B2012 67.319 -50.501 6.455 1.00 0.00 C ATOM 43232 O3* G B2012 67.363 -48.963 7.138 1.00 0.00 O ATOM 43233 C2* G B2012 67.946 -50.095 5.123 1.00 0.00 C ATOM 43234 O2* G B2012 69.036 -49.211 5.324 1.00 0.00 O ATOM 43235 C1* G B2012 68.530 -51.421 4.642 1.00 0.00 C ATOM 43236 N9 G B2012 67.483 -52.337 3.541 1.00 0.00 N ATOM 43237 C8 G B2012 67.832 -53.134 2.477 1.00 0.00 C ATOM 43238 N7 G B2012 66.818 -53.563 1.768 1.00 0.00 N ATOM 43239 C5 G B2012 65.707 -53.011 2.415 1.00 0.00 C ATOM 43240 C6 G B2012 64.335 -53.115 2.108 1.00 0.00 C ATOM 43241 O6 G B2012 63.787 -53.726 1.193 1.00 0.00 O ATOM 43242 N1 G B2012 63.549 -52.392 3.020 1.00 0.00 N ATOM 43243 C2 G B2012 64.035 -51.665 4.090 1.00 0.00 C ATOM 43244 N2 G B2012 63.127 -51.044 4.841 1.00 0.00 N ATOM 43245 N3 G B2012 65.335 -51.562 4.372 1.00 0.00 N ATOM 43246 C4 G B2012 66.108 -52.262 3.498 1.00 0.00 C ATOM 43247 P A B2013 67.491 -47.198 6.371 1.00 0.00 P ATOM 43248 O1P A B2013 67.822 -47.241 4.928 1.00 0.00 O ATOM 43249 O2P A B2013 68.409 -46.408 7.220 1.00 0.00 O ATOM 43250 O5* A B2013 65.755 -46.471 6.272 1.00 0.00 O ATOM 43251 C5* A B2013 64.397 -45.901 6.283 1.00 0.00 C ATOM 43252 C4* A B2013 63.742 -45.368 4.896 1.00 0.00 C ATOM 43253 O4* A B2013 63.411 -46.442 3.966 1.00 0.00 O ATOM 43254 C3* A B2013 62.812 -44.227 4.485 1.00 0.00 C ATOM 43255 O3* A B2013 61.510 -43.605 5.024 1.00 0.00 O ATOM 43256 C2* A B2013 62.762 -44.391 2.964 1.00 0.00 C ATOM 43257 O2* A B2013 63.949 -43.901 2.369 1.00 0.00 O ATOM 43258 C1* A B2013 62.777 -45.902 2.815 1.00 0.00 C ATOM 43259 N9 A B2013 63.550 -46.437 1.516 1.00 0.00 N ATOM 43260 C8 A B2013 64.825 -46.938 1.423 1.00 0.00 C ATOM 43261 N7 A B2013 65.138 -47.370 0.243 1.00 0.00 N ATOM 43262 C5 A B2013 63.997 -47.143 -0.511 1.00 0.00 C ATOM 43263 C6 A B2013 63.687 -47.388 -1.859 1.00 0.00 C ATOM 43264 N6 A B2013 64.547 -47.938 -2.731 1.00 0.00 N ATOM 43265 N1 A B2013 62.454 -47.040 -2.287 1.00 0.00 N ATOM 43266 C2 A B2013 61.607 -46.489 -1.416 1.00 0.00 C ATOM 43267 N3 A B2013 61.789 -46.215 -0.143 1.00 0.00 N ATOM 43268 C4 A B2013 63.024 -46.575 0.257 1.00 0.00 C ATOM 43269 P A B2014 61.336 -42.133 6.043 1.00 0.00 P ATOM 43270 O1P A B2014 61.193 -40.819 5.374 1.00 0.00 O ATOM 43271 O2P A B2014 62.228 -42.159 7.222 1.00 0.00 O ATOM 43272 O5* A B2014 59.707 -42.907 6.285 1.00 0.00 O ATOM 43273 C5* A B2014 58.804 -44.048 6.176 1.00 0.00 C ATOM 43274 C4* A B2014 58.948 -45.085 7.456 1.00 0.00 C ATOM 43275 O4* A B2014 60.147 -45.908 7.392 1.00 0.00 O ATOM 43276 C3* A B2014 59.038 -44.407 8.824 1.00 0.00 C ATOM 43277 O3* A B2014 57.825 -43.596 9.253 1.00 0.00 O ATOM 43278 C2* A B2014 59.663 -45.506 9.683 1.00 0.00 C ATOM 43279 O2* A B2014 58.700 -46.493 10.018 1.00 0.00 O ATOM 43280 C1* A B2014 60.637 -46.147 8.701 1.00 0.00 C ATOM 43281 N9 A B2014 62.212 -45.560 8.791 1.00 0.00 N ATOM 43282 C8 A B2014 62.813 -44.597 8.007 1.00 0.00 C ATOM 43283 N7 A B2014 64.094 -44.497 8.190 1.00 0.00 N ATOM 43284 C5 A B2014 64.372 -45.450 9.161 1.00 0.00 C ATOM 43285 C6 A B2014 65.566 -45.835 9.791 1.00 0.00 C ATOM 43286 N6 A B2014 66.755 -45.282 9.525 1.00 0.00 N ATOM 43287 N1 A B2014 65.488 -46.816 10.713 1.00 0.00 N ATOM 43288 C2 A B2014 64.303 -47.364 10.972 1.00 0.00 C ATOM 43289 N3 A B2014 63.129 -47.084 10.450 1.00 0.00 N ATOM 43290 C4 A B2014 63.234 -46.100 9.534 1.00 0.00 C ATOM 43291 P A B2015 58.222 -41.806 9.164 1.00 0.00 P ATOM 43292 O1P A B2015 59.254 -41.489 8.148 1.00 0.00 O ATOM 43293 O2P A B2015 58.499 -41.331 10.534 1.00 0.00 O ATOM 43294 O5* A B2015 56.579 -41.273 8.551 1.00 0.00 O ATOM 43295 C5* A B2015 55.856 -40.025 8.327 1.00 0.00 C ATOM 43296 C4* A B2015 56.070 -38.972 9.564 1.00 0.00 C ATOM 43297 O4* A B2015 56.830 -39.580 10.647 1.00 0.00 O ATOM 43298 C3* A B2015 56.684 -37.579 9.421 1.00 0.00 C ATOM 43299 O3* A B2015 55.935 -36.468 8.667 1.00 0.00 O ATOM 43300 C2* A B2015 57.006 -37.222 10.868 1.00 0.00 C ATOM 43301 O2* A B2015 55.828 -36.851 11.565 1.00 0.00 O ATOM 43302 C1* A B2015 57.447 -38.571 11.427 1.00 0.00 C ATOM 43303 N9 A B2015 59.135 -38.834 11.408 1.00 0.00 N ATOM 43304 C8 A B2015 59.838 -39.891 11.932 1.00 0.00 C ATOM 43305 N7 A B2015 61.123 -39.731 11.910 1.00 0.00 N ATOM 43306 C5 A B2015 61.296 -38.477 11.331 1.00 0.00 C ATOM 43307 C6 A B2015 62.442 -37.726 11.025 1.00 0.00 C ATOM 43308 N6 A B2015 63.690 -38.143 11.277 1.00 0.00 N ATOM 43309 N1 A B2015 62.254 -36.525 10.452 1.00 0.00 N ATOM 43310 C2 A B2015 61.011 -36.110 10.206 1.00 0.00 C ATOM 43311 N3 A B2015 59.871 -36.728 10.449 1.00 0.00 N ATOM 43312 C4 A B2015 60.086 -37.929 11.023 1.00 0.00 C ATOM 43313 P U B2016 54.091 -36.393 8.673 1.00 0.00 P ATOM 43314 O1P U B2016 53.501 -37.695 8.281 1.00 0.00 O ATOM 43315 O2P U B2016 53.650 -35.225 7.881 1.00 0.00 O ATOM 43316 O5* U B2016 53.847 -36.046 10.459 1.00 0.00 O ATOM 43317 C5* U B2016 53.477 -35.304 11.656 1.00 0.00 C ATOM 43318 C4* U B2016 52.298 -35.940 12.593 1.00 0.00 C ATOM 43319 O4* U B2016 52.286 -37.385 12.767 1.00 0.00 O ATOM 43320 C3* U B2016 51.848 -35.403 13.955 1.00 0.00 C ATOM 43321 O3* U B2016 51.219 -33.993 13.934 1.00 0.00 O ATOM 43322 C2* U B2016 50.822 -36.451 14.391 1.00 0.00 C ATOM 43323 O2* U B2016 49.597 -36.277 13.698 1.00 0.00 O ATOM 43324 C1* U B2016 51.452 -37.733 13.859 1.00 0.00 C ATOM 43325 N1 U B2016 52.389 -38.589 14.997 1.00 0.00 N ATOM 43326 C2 U B2016 52.149 -38.330 16.327 1.00 0.00 C ATOM 43327 O2 U B2016 51.371 -37.466 16.702 1.00 0.00 O ATOM 43328 N3 U B2016 52.853 -39.109 17.221 1.00 0.00 N ATOM 43329 C4 U B2016 53.752 -40.107 16.909 1.00 0.00 C ATOM 43330 O4 U B2016 54.323 -40.742 17.798 1.00 0.00 O ATOM 43331 C5 U B2016 53.941 -40.308 15.489 1.00 0.00 C ATOM 43332 C6 U B2016 53.268 -39.561 14.595 1.00 0.00 C ATOM 43333 P U B2017 51.532 -32.552 15.079 1.00 0.00 P ATOM 43334 O1P U B2017 50.229 -32.004 15.517 1.00 0.00 O ATOM 43335 O2P U B2017 52.407 -31.620 14.337 1.00 0.00 O ATOM 43336 O5* U B2017 52.318 -33.149 16.341 1.00 0.00 O ATOM 43337 C5* U B2017 51.637 -33.252 17.602 1.00 0.00 C ATOM 43338 C4* U B2017 52.522 -33.952 18.613 1.00 0.00 C ATOM 43339 O4* U B2017 52.684 -35.344 18.213 1.00 0.00 O ATOM 43340 C3* U B2017 53.956 -33.431 18.721 1.00 0.00 C ATOM 43341 O3* U B2017 54.035 -32.329 19.568 1.00 0.00 O ATOM 43342 C2* U B2017 54.699 -34.649 19.263 1.00 0.00 C ATOM 43343 O2* U B2017 54.445 -34.817 20.648 1.00 0.00 O ATOM 43344 C1* U B2017 53.992 -35.788 18.539 1.00 0.00 C ATOM 43345 N1 U B2017 54.664 -36.209 17.278 1.00 0.00 N ATOM 43346 C2 U B2017 55.826 -36.933 17.399 1.00 0.00 C ATOM 43347 O2 U B2017 56.309 -37.234 18.476 1.00 0.00 O ATOM 43348 N3 U B2017 56.418 -37.299 16.207 1.00 0.00 N ATOM 43349 C4 U B2017 55.959 -37.012 14.938 1.00 0.00 C ATOM 43350 O4 U B2017 56.580 -37.396 13.945 1.00 0.00 O ATOM 43351 C5 U B2017 54.736 -36.248 14.914 1.00 0.00 C ATOM 43352 C6 U B2017 54.136 -35.877 16.057 1.00 0.00 C ATOM 43353 P G B2018 53.285 -30.747 18.993 1.00 0.00 P ATOM 43354 O1P G B2018 52.146 -30.310 19.830 1.00 0.00 O ATOM 43355 O2P G B2018 53.034 -30.775 17.531 1.00 0.00 O ATOM 43356 O5* G B2018 54.799 -29.792 19.346 1.00 0.00 O ATOM 43357 C5* G B2018 55.361 -28.823 18.440 1.00 0.00 C ATOM 43358 C4* G B2018 55.512 -29.405 16.913 1.00 0.00 C ATOM 43359 O4* G B2018 55.867 -30.791 16.633 1.00 0.00 O ATOM 43360 C3* G B2018 55.980 -28.644 15.671 1.00 0.00 C ATOM 43361 O3* G B2018 56.032 -27.113 15.694 1.00 0.00 O ATOM 43362 C2* G B2018 57.257 -29.398 15.301 1.00 0.00 C ATOM 43363 O2* G B2018 58.322 -29.044 16.167 1.00 0.00 O ATOM 43364 C1* G B2018 56.873 -30.834 15.635 1.00 0.00 C ATOM 43365 N9 G B2018 56.269 -31.757 14.288 1.00 0.00 N ATOM 43366 C8 G B2018 55.064 -31.647 13.626 1.00 0.00 C ATOM 43367 N7 G B2018 54.954 -32.420 12.575 1.00 0.00 N ATOM 43368 C5 G B2018 56.174 -33.100 12.541 1.00 0.00 C ATOM 43369 C6 G B2018 56.648 -34.075 11.627 1.00 0.00 C ATOM 43370 O6 G B2018 56.082 -34.555 10.647 1.00 0.00 O ATOM 43371 N1 G B2018 57.945 -34.501 11.957 1.00 0.00 N ATOM 43372 C2 G B2018 58.681 -34.040 13.030 1.00 0.00 C ATOM 43373 N2 G B2018 59.901 -34.567 13.174 1.00 0.00 N ATOM 43374 N3 G B2018 58.240 -33.121 13.884 1.00 0.00 N ATOM 43375 C4 G B2018 56.985 -32.703 13.580 1.00 0.00 C ATOM 43376 P A B2019 56.251 -26.347 14.042 1.00 0.00 P ATOM 43377 O1P A B2019 54.971 -26.281 13.304 1.00 0.00 O ATOM 43378 O2P A B2019 57.386 -26.947 13.314 1.00 0.00 O ATOM 43379 O5* A B2019 56.703 -24.725 14.757 1.00 0.00 O ATOM 43380 C5* A B2019 56.689 -23.275 14.792 1.00 0.00 C ATOM 43381 C4* A B2019 57.827 -22.535 15.691 1.00 0.00 C ATOM 43382 O4* A B2019 58.477 -23.417 16.657 1.00 0.00 O ATOM 43383 C3* A B2019 58.959 -21.639 15.188 1.00 0.00 C ATOM 43384 O3* A B2019 58.394 -20.404 14.352 1.00 0.00 O ATOM 43385 C2* A B2019 59.801 -21.456 16.449 1.00 0.00 C ATOM 43386 O2* A B2019 59.189 -20.529 17.334 1.00 0.00 O ATOM 43387 C1* A B2019 59.687 -22.830 17.102 1.00 0.00 C ATOM 43388 N9 A B2019 60.945 -23.880 16.746 1.00 0.00 N ATOM 43389 C8 A B2019 60.880 -25.218 16.446 1.00 0.00 C ATOM 43390 N7 A B2019 62.031 -25.811 16.396 1.00 0.00 N ATOM 43391 C5 A B2019 62.937 -24.798 16.671 1.00 0.00 C ATOM 43392 C6 A B2019 64.339 -24.778 16.768 1.00 0.00 C ATOM 43393 N6 A B2019 65.106 -25.860 16.582 1.00 0.00 N ATOM 43394 N1 A B2019 64.925 -23.601 17.064 1.00 0.00 N ATOM 43395 C2 A B2019 64.156 -22.530 17.247 1.00 0.00 C ATOM 43396 N3 A B2019 62.846 -22.427 17.182 1.00 0.00 N ATOM 43397 C4 A B2019 62.284 -23.614 16.887 1.00 0.00 C ATOM 43398 P A B2020 59.247 -18.779 14.002 1.00 0.00 P ATOM 43399 O1P A B2020 60.642 -19.032 13.591 1.00 0.00 O ATOM 43400 O2P A B2020 59.074 -17.884 15.171 1.00 0.00 O ATOM 43401 O5* A B2020 58.305 -18.032 12.555 1.00 0.00 O ATOM 43402 C5* A B2020 57.698 -16.868 11.786 1.00 0.00 C ATOM 43403 C4* A B2020 58.169 -16.426 10.227 1.00 0.00 C ATOM 43404 O4* A B2020 59.278 -17.168 9.641 1.00 0.00 O ATOM 43405 C3* A B2020 58.072 -15.169 9.363 1.00 0.00 C ATOM 43406 O3* A B2020 57.049 -14.709 8.204 1.00 0.00 O ATOM 43407 C2* A B2020 59.544 -14.881 9.056 1.00 0.00 C ATOM 43408 O2* A B2020 60.184 -14.305 10.184 1.00 0.00 O ATOM 43409 C1* A B2020 60.105 -16.286 8.895 1.00 0.00 C ATOM 43410 N9 A B2020 61.650 -16.468 9.412 1.00 0.00 N ATOM 43411 C8 A B2020 62.518 -15.502 9.874 1.00 0.00 C ATOM 43412 N7 A B2020 63.732 -15.926 10.052 1.00 0.00 N ATOM 43413 C5 A B2020 63.676 -17.262 9.686 1.00 0.00 C ATOM 43414 C6 A B2020 64.648 -18.275 9.647 1.00 0.00 C ATOM 43415 N6 A B2020 65.924 -18.091 10.004 1.00 0.00 N ATOM 43416 N1 A B2020 64.253 -19.497 9.229 1.00 0.00 N ATOM 43417 C2 A B2020 62.981 -19.676 8.879 1.00 0.00 C ATOM 43418 N3 A B2020 61.993 -18.812 8.873 1.00 0.00 N ATOM 43419 C4 A B2020 62.411 -17.598 9.294 1.00 0.00 C ATOM 43420 P C B2021 56.751 -12.866 7.899 1.00 0.00 P ATOM 43421 O1P C B2021 57.812 -12.102 8.586 1.00 0.00 O ATOM 43422 O2P C B2021 55.358 -12.570 8.315 1.00 0.00 O ATOM 43423 O5* C B2021 56.849 -12.491 6.044 1.00 0.00 O ATOM 43424 C5* C B2021 56.412 -11.264 5.246 1.00 0.00 C ATOM 43425 C4* C B2021 56.776 -10.891 3.630 1.00 0.00 C ATOM 43426 O4* C B2021 57.372 -11.925 2.796 1.00 0.00 O ATOM 43427 C3* C B2021 57.217 -9.583 2.970 1.00 0.00 C ATOM 43428 O3* C B2021 56.340 -8.460 2.218 1.00 0.00 O ATOM 43429 C2* C B2021 58.624 -9.925 2.492 1.00 0.00 C ATOM 43430 O2* C B2021 59.543 -9.917 3.576 1.00 0.00 O ATOM 43431 C1* C B2021 58.461 -11.376 2.058 1.00 0.00 C ATOM 43432 N1 C B2021 58.142 -11.592 0.375 1.00 0.00 N ATOM 43433 C2 C B2021 57.097 -12.440 0.012 1.00 0.00 C ATOM 43434 O2 C B2021 56.433 -12.978 0.913 1.00 0.00 O ATOM 43435 N3 C B2021 56.839 -12.642 -1.299 1.00 0.00 N ATOM 43436 C4 C B2021 57.585 -12.039 -2.242 1.00 0.00 C ATOM 43437 N4 C B2021 57.294 -12.269 -3.515 1.00 0.00 N ATOM 43438 C5 C B2021 58.664 -11.163 -1.897 1.00 0.00 C ATOM 43439 C6 C B2021 58.900 -10.974 -0.573 1.00 0.00 C ATOM 43440 P U B2022 56.942 -7.648 0.631 1.00 0.00 P ATOM 43441 O1P U B2022 56.753 -8.590 -0.491 1.00 0.00 O ATOM 43442 O2P U B2022 58.318 -7.138 0.820 1.00 0.00 O ATOM 43443 O5* U B2022 55.807 -6.196 0.339 1.00 0.00 O ATOM 43444 C5* U B2022 54.961 -5.123 -0.230 1.00 0.00 C ATOM 43445 C4* U B2022 55.325 -4.200 -1.565 1.00 0.00 C ATOM 43446 O4* U B2022 55.669 -4.875 -2.809 1.00 0.00 O ATOM 43447 C3* U B2022 54.422 -3.048 -2.010 1.00 0.00 C ATOM 43448 O3* U B2022 54.226 -1.850 -1.078 1.00 0.00 O ATOM 43449 C2* U B2022 55.057 -2.643 -3.340 1.00 0.00 C ATOM 43450 O2* U B2022 56.243 -1.896 -3.125 1.00 0.00 O ATOM 43451 C1* U B2022 55.475 -3.996 -3.900 1.00 0.00 C ATOM 43452 N1 U B2022 54.337 -4.711 -4.974 1.00 0.00 N ATOM 43453 C2 U B2022 53.305 -3.915 -5.410 1.00 0.00 C ATOM 43454 O2 U B2022 53.159 -2.758 -5.055 1.00 0.00 O ATOM 43455 N3 U B2022 52.431 -4.518 -6.302 1.00 0.00 N ATOM 43456 C4 U B2022 52.504 -5.805 -6.768 1.00 0.00 C ATOM 43457 O4 U B2022 51.657 -6.234 -7.560 1.00 0.00 O ATOM 43458 C5 U B2022 53.620 -6.565 -6.252 1.00 0.00 C ATOM 43459 C6 U B2022 54.483 -6.006 -5.390 1.00 0.00 C ATOM 43460 P C B2023 52.549 -1.157 -1.014 1.00 0.00 P ATOM 43461 O1P C B2023 52.161 -0.243 -2.113 1.00 0.00 O ATOM 43462 O2P C B2023 52.291 -0.660 0.357 1.00 0.00 O ATOM 43463 O5* C B2023 51.847 -2.580 -1.217 1.00 0.00 O ATOM 43464 C5* C B2023 51.880 -3.195 -2.518 1.00 0.00 C ATOM 43465 C4* C B2023 51.271 -4.580 -2.448 1.00 0.00 C ATOM 43466 O4* C B2023 52.141 -5.441 -1.658 1.00 0.00 O ATOM 43467 C3* C B2023 49.916 -4.678 -1.748 1.00 0.00 C ATOM 43468 O3* C B2023 48.869 -4.374 -2.617 1.00 0.00 O ATOM 43469 C2* C B2023 49.897 -6.136 -1.295 1.00 0.00 C ATOM 43470 O2* C B2023 49.621 -7.001 -2.383 1.00 0.00 O ATOM 43471 C1* C B2023 51.355 -6.356 -0.910 1.00 0.00 C ATOM 43472 N1 C B2023 51.635 -6.131 0.536 1.00 0.00 N ATOM 43473 C2 C B2023 51.201 -7.097 1.441 1.00 0.00 C ATOM 43474 O2 C B2023 50.610 -8.094 1.009 1.00 0.00 O ATOM 43475 N3 C B2023 51.446 -6.909 2.762 1.00 0.00 N ATOM 43476 C4 C B2023 52.094 -5.816 3.188 1.00 0.00 C ATOM 43477 N4 C B2023 52.308 -5.680 4.487 1.00 0.00 N ATOM 43478 C5 C B2023 52.547 -4.812 2.275 1.00 0.00 C ATOM 43479 C6 C B2023 52.293 -5.017 0.958 1.00 0.00 C ATOM 43480 P G B2024 46.488 -3.215 -2.659 1.00 0.00 P ATOM 43481 O1P G B2024 45.751 -3.084 -3.935 1.00 0.00 O ATOM 43482 O2P G B2024 46.424 -2.047 -1.754 1.00 0.00 O ATOM 43483 O5* G B2024 45.997 -4.528 -1.885 1.00 0.00 O ATOM 43484 C5* G B2024 46.158 -5.811 -2.515 1.00 0.00 C ATOM 43485 C4* G B2024 45.749 -6.915 -1.561 1.00 0.00 C ATOM 43486 O4* G B2024 46.926 -7.382 -0.844 1.00 0.00 O ATOM 43487 C3* G B2024 44.781 -6.504 -0.449 1.00 0.00 C ATOM 43488 O3* G B2024 43.458 -6.532 -0.884 1.00 0.00 O ATOM 43489 C2* G B2024 45.066 -7.552 0.626 1.00 0.00 C ATOM 43490 O2* G B2024 44.472 -8.793 0.290 1.00 0.00 O ATOM 43491 C1* G B2024 46.574 -7.730 0.486 1.00 0.00 C ATOM 43492 N9 G B2024 47.369 -6.875 1.410 1.00 0.00 N ATOM 43493 C8 G B2024 48.103 -5.741 1.135 1.00 0.00 C ATOM 43494 N7 G B2024 48.688 -5.216 2.183 1.00 0.00 N ATOM 43495 C5 G B2024 48.318 -6.063 3.226 1.00 0.00 C ATOM 43496 C6 G B2024 48.645 -6.008 4.605 1.00 0.00 C ATOM 43497 O6 G B2024 49.342 -5.189 5.201 1.00 0.00 O ATOM 43498 N1 G B2024 48.058 -7.065 5.314 1.00 0.00 N ATOM 43499 C2 G B2024 47.254 -8.045 4.760 1.00 0.00 C ATOM 43500 N2 G B2024 46.789 -8.966 5.606 1.00 0.00 N ATOM 43501 N3 G B2024 46.947 -8.094 3.468 1.00 0.00 N ATOM 43502 C4 G B2024 47.514 -7.077 2.767 1.00 0.00 C ATOM 43503 P C B2025 42.429 -5.383 -0.345 1.00 0.00 P ATOM 43504 O1P C B2025 41.311 -5.206 -1.301 1.00 0.00 O ATOM 43505 O2P C B2025 43.189 -4.162 -0.007 1.00 0.00 O ATOM 43506 O5* C B2025 41.890 -6.073 0.995 1.00 0.00 O ATOM 43507 C5* C B2025 41.194 -7.331 0.902 1.00 0.00 C ATOM 43508 C4* C B2025 40.887 -7.858 2.289 1.00 0.00 C ATOM 43509 O4* C B2025 42.136 -8.219 2.943 1.00 0.00 O ATOM 43510 C3* C B2025 40.242 -6.860 3.253 1.00 0.00 C ATOM 43511 O3* C B2025 38.860 -6.802 3.082 1.00 0.00 O ATOM 43512 C2* C B2025 40.644 -7.424 4.614 1.00 0.00 C ATOM 43513 O2* C B2025 39.856 -8.553 4.941 1.00 0.00 O ATOM 43514 C1* C B2025 42.053 -7.933 4.332 1.00 0.00 C ATOM 43515 N1 C B2025 43.121 -6.949 4.661 1.00 0.00 N ATOM 43516 C2 C B2025 43.416 -6.737 6.006 1.00 0.00 C ATOM 43517 O2 C B2025 42.786 -7.367 6.860 1.00 0.00 O ATOM 43518 N3 C B2025 44.387 -5.842 6.329 1.00 0.00 N ATOM 43519 C4 C B2025 45.049 -5.179 5.371 1.00 0.00 C ATOM 43520 N4 C B2025 45.986 -4.318 5.739 1.00 0.00 N ATOM 43521 C5 C B2025 44.762 -5.382 3.983 1.00 0.00 C ATOM 43522 C6 C B2025 43.789 -6.279 3.682 1.00 0.00 C ATOM 43523 P U B2026 38.099 -5.377 3.312 1.00 0.00 P ATOM 43524 O1P U B2026 36.735 -5.426 2.738 1.00 0.00 O ATOM 43525 O2P U B2026 38.963 -4.276 2.832 1.00 0.00 O ATOM 43526 O5* U B2026 38.012 -5.339 4.912 1.00 0.00 O ATOM 43527 C5* U B2026 37.292 -6.379 5.595 1.00 0.00 C ATOM 43528 C4* U B2026 37.443 -6.217 7.094 1.00 0.00 C ATOM 43529 O4* U B2026 38.829 -6.481 7.459 1.00 0.00 O ATOM 43530 C3* U B2026 37.181 -4.814 7.641 1.00 0.00 C ATOM 43531 O3* U B2026 35.824 -4.595 7.860 1.00 0.00 O ATOM 43532 C2* U B2026 37.993 -4.818 8.935 1.00 0.00 C ATOM 43533 O2* U B2026 37.325 -5.553 9.944 1.00 0.00 O ATOM 43534 C1* U B2026 39.217 -5.631 8.526 1.00 0.00 C ATOM 43535 N1 U B2026 40.360 -4.797 8.060 1.00 0.00 N ATOM 43536 C2 U B2026 41.066 -4.113 9.018 1.00 0.00 C ATOM 43537 O2 U B2026 40.794 -4.164 10.207 1.00 0.00 O ATOM 43538 N3 U B2026 42.121 -3.354 8.549 1.00 0.00 N ATOM 43539 C4 U B2026 42.516 -3.223 7.235 1.00 0.00 C ATOM 43540 O4 U B2026 43.477 -2.512 6.934 1.00 0.00 O ATOM 43541 C5 U B2026 41.712 -3.981 6.302 1.00 0.00 C ATOM 43542 C6 U B2026 40.684 -4.728 6.732 1.00 0.00 C ATOM 43543 P G B2027 35.220 -3.099 7.628 1.00 0.00 P ATOM 43544 O1P G B2027 33.742 -3.146 7.549 1.00 0.00 O ATOM 43545 O2P G B2027 35.903 -2.464 6.481 1.00 0.00 O ATOM 43546 O5* G B2027 35.663 -2.381 8.988 1.00 0.00 O ATOM 43547 C5* G B2027 35.180 -2.899 10.241 1.00 0.00 C ATOM 43548 C4* G B2027 35.822 -2.154 11.393 1.00 0.00 C ATOM 43549 O4* G B2027 37.241 -2.475 11.430 1.00 0.00 O ATOM 43550 C3* G B2027 35.790 -0.627 11.297 1.00 0.00 C ATOM 43551 O3* G B2027 34.587 -0.111 11.770 1.00 0.00 O ATOM 43552 C2* G B2027 36.983 -0.231 12.164 1.00 0.00 C ATOM 43553 O2* G B2027 36.667 -0.349 13.541 1.00 0.00 O ATOM 43554 C1* G B2027 37.983 -1.337 11.842 1.00 0.00 C ATOM 43555 N9 G B2027 38.931 -0.982 10.749 1.00 0.00 N ATOM 43556 C8 G B2027 38.959 -1.428 9.444 1.00 0.00 C ATOM 43557 N7 G B2027 39.935 -0.920 8.730 1.00 0.00 N ATOM 43558 C5 G B2027 40.601 -0.084 9.624 1.00 0.00 C ATOM 43559 C6 G B2027 41.741 0.740 9.430 1.00 0.00 C ATOM 43560 O6 G B2027 42.410 0.900 8.416 1.00 0.00 O ATOM 43561 N1 G B2027 42.083 1.426 10.605 1.00 0.00 N ATOM 43562 C2 G B2027 41.410 1.328 11.806 1.00 0.00 C ATOM 43563 N2 G B2027 41.894 2.066 12.811 1.00 0.00 N ATOM 43564 N3 G B2027 40.340 0.559 11.987 1.00 0.00 N ATOM 43565 C4 G B2027 39.994 -0.115 10.858 1.00 0.00 C ATOM 43566 P U B2028 34.399 1.693 11.662 1.00 0.00 P ATOM 43567 O1P U B2028 34.909 2.419 12.839 1.00 0.00 O ATOM 43568 O2P U B2028 33.025 2.033 11.237 1.00 0.00 O ATOM 43569 O5* U B2028 35.601 1.738 10.309 1.00 0.00 O ATOM 43570 C5* U B2028 36.514 2.408 9.451 1.00 0.00 C ATOM 43571 C4* U B2028 35.857 2.672 7.994 1.00 0.00 C ATOM 43572 O4* U B2028 36.767 2.730 6.857 1.00 0.00 O ATOM 43573 C3* U B2028 34.671 1.861 7.475 1.00 0.00 C ATOM 43574 O3* U B2028 33.398 1.766 8.326 1.00 0.00 O ATOM 43575 C2* U B2028 34.580 2.322 6.021 1.00 0.00 C ATOM 43576 O2* U B2028 33.992 3.611 5.942 1.00 0.00 O ATOM 43577 C1* U B2028 36.051 2.481 5.659 1.00 0.00 C ATOM 43578 N1 U B2028 36.741 1.135 4.895 1.00 0.00 N ATOM 43579 C2 U B2028 36.166 0.722 3.717 1.00 0.00 C ATOM 43580 O2 U B2028 35.153 1.226 3.261 1.00 0.00 O ATOM 43581 N3 U B2028 36.814 -0.312 3.072 1.00 0.00 N ATOM 43582 C4 U B2028 37.956 -0.952 3.495 1.00 0.00 C ATOM 43583 O4 U B2028 38.446 -1.870 2.833 1.00 0.00 O ATOM 43584 C5 U B2028 38.488 -0.449 4.741 1.00 0.00 C ATOM 43585 C6 U B2028 37.876 0.552 5.391 1.00 0.00 C ATOM 43586 P G B2029 32.829 0.033 8.555 1.00 0.00 P ATOM 43587 O1P G B2029 33.919 -0.751 9.181 1.00 0.00 O ATOM 43588 O2P G B2029 32.254 -0.540 7.316 1.00 0.00 O ATOM 43589 O5* G B2029 31.530 0.332 9.797 1.00 0.00 O ATOM 43590 C5* G B2029 30.650 -0.578 10.491 1.00 0.00 C ATOM 43591 C4* G B2029 29.567 0.289 11.329 1.00 0.00 C ATOM 43592 O4* G B2029 29.700 0.296 12.780 1.00 0.00 O ATOM 43593 C3* G B2029 29.428 1.770 10.965 1.00 0.00 C ATOM 43594 O3* G B2029 28.771 1.949 9.582 1.00 0.00 O ATOM 43595 C2* G B2029 28.618 2.315 12.144 1.00 0.00 C ATOM 43596 O2* G B2029 27.256 1.954 12.022 1.00 0.00 O ATOM 43597 C1* G B2029 29.192 1.512 13.305 1.00 0.00 C ATOM 43598 N9 G B2029 30.459 2.300 14.166 1.00 0.00 N ATOM 43599 C8 G B2029 30.742 3.648 14.261 1.00 0.00 C ATOM 43600 N7 G B2029 31.722 3.931 15.083 1.00 0.00 N ATOM 43601 C5 G B2029 32.117 2.685 15.576 1.00 0.00 C ATOM 43602 C6 G B2029 33.133 2.348 16.500 1.00 0.00 C ATOM 43603 O6 G B2029 33.912 3.091 17.093 1.00 0.00 O ATOM 43604 N1 G B2029 33.189 0.962 16.720 1.00 0.00 N ATOM 43605 C2 G B2029 32.375 0.026 16.113 1.00 0.00 C ATOM 43606 N2 G B2029 32.589 -1.246 16.456 1.00 0.00 N ATOM 43607 N3 G B2029 31.416 0.347 15.241 1.00 0.00 N ATOM 43608 C4 G B2029 31.349 1.685 15.023 1.00 0.00 C HETATM43609 P 1MA B2030 29.676 2.716 8.203 1.00 0.00 P HETATM43610 O1P 1MA B2030 29.444 4.181 8.200 1.00 0.00 O HETATM43611 O2P 1MA B2030 31.074 2.282 8.010 1.00 0.00 O HETATM43612 O5* 1MA B2030 28.621 1.762 7.067 1.00 0.00 O HETATM43613 C5* 1MA B2030 28.581 0.751 6.042 1.00 0.00 C HETATM43614 C4* 1MA B2030 28.136 1.389 4.615 1.00 0.00 C HETATM43615 O4* 1MA B2030 27.640 2.757 4.705 1.00 0.00 O HETATM43616 C3* 1MA B2030 29.013 1.395 3.362 1.00 0.00 C HETATM43617 O3* 1MA B2030 29.672 0.149 2.795 1.00 0.00 O HETATM43618 C2* 1MA B2030 28.252 2.346 2.445 1.00 0.00 C HETATM43619 O2* 1MA B2030 27.116 1.709 1.887 1.00 0.00 O HETATM43620 C1* 1MA B2030 27.738 3.385 3.435 1.00 0.00 C HETATM43621 N9 1MA B2030 28.844 4.931 3.612 1.00 0.00 N HETATM43622 C8 1MA B2030 29.599 5.324 4.692 1.00 0.00 C HETATM43623 N7 1MA B2030 30.288 6.403 4.485 1.00 0.00 N HETATM43624 C5 1MA B2030 29.978 6.756 3.181 1.00 0.00 C HETATM43625 C6 1MA B2030 30.393 7.818 2.360 1.00 0.00 C HETATM43626 N6 1MA B2030 31.252 8.766 2.761 1.00 0.00 N HETATM43627 N1 1MA B2030 29.891 7.870 1.114 1.00 0.00 N HETATM43628 CM1 1MA B2030 30.244 8.919 0.214 1.00 0.00 C HETATM43629 C2 1MA B2030 29.032 6.925 0.725 1.00 0.00 C HETATM43630 N3 1MA B2030 28.578 5.892 1.397 1.00 0.00 N HETATM43631 C4 1MA B2030 29.097 5.860 2.641 1.00 0.00 C ATOM 43632 P A B2031 31.424 0.423 2.325 1.00 0.00 P ATOM 43633 O1P A B2031 32.183 -0.848 2.316 1.00 0.00 O ATOM 43634 O2P A B2031 32.032 1.529 3.093 1.00 0.00 O ATOM 43635 O5* A B2031 30.981 0.945 0.636 1.00 0.00 O ATOM 43636 C5* A B2031 30.891 0.734 -0.784 1.00 0.00 C ATOM 43637 C4* A B2031 31.792 1.725 -1.712 1.00 0.00 C ATOM 43638 O4* A B2031 31.366 3.114 -1.840 1.00 0.00 O ATOM 43639 C3* A B2031 33.315 1.811 -1.638 1.00 0.00 C ATOM 43640 O3* A B2031 34.149 0.541 -1.742 1.00 0.00 O ATOM 43641 C2* A B2031 33.618 2.965 -2.586 1.00 0.00 C ATOM 43642 O2* A B2031 33.505 2.550 -3.934 1.00 0.00 O ATOM 43643 C1* A B2031 32.445 3.903 -2.319 1.00 0.00 C ATOM 43644 N9 A B2031 32.756 5.114 -1.190 1.00 0.00 N ATOM 43645 C8 A B2031 33.189 4.980 0.111 1.00 0.00 C ATOM 43646 N7 A B2031 33.515 6.102 0.674 1.00 0.00 N ATOM 43647 C5 A B2031 33.286 7.052 -0.310 1.00 0.00 C ATOM 43648 C6 A B2031 33.448 8.448 -0.334 1.00 0.00 C ATOM 43649 N6 A B2031 33.894 9.159 0.706 1.00 0.00 N ATOM 43650 N1 A B2031 33.132 9.088 -1.477 1.00 0.00 N ATOM 43651 C2 A B2031 32.689 8.373 -2.506 1.00 0.00 C ATOM 43652 N3 A B2031 32.501 7.076 -2.600 1.00 0.00 N ATOM 43653 C4 A B2031 32.824 6.462 -1.446 1.00 0.00 C ATOM 43654 P G B2032 35.779 0.713 -0.932 1.00 0.00 P ATOM 43655 O1P G B2032 36.493 -0.582 -0.838 1.00 0.00 O ATOM 43656 O2P G B2032 35.684 1.487 0.327 1.00 0.00 O ATOM 43657 O5* G B2032 36.392 1.724 -2.312 1.00 0.00 O ATOM 43658 C5* G B2032 36.400 2.267 -3.640 1.00 0.00 C ATOM 43659 C4* G B2032 37.240 3.647 -3.801 1.00 0.00 C ATOM 43660 O4* G B2032 36.557 4.915 -3.579 1.00 0.00 O ATOM 43661 C3* G B2032 38.624 3.859 -3.176 1.00 0.00 C ATOM 43662 O3* G B2032 39.706 2.813 -3.385 1.00 0.00 O ATOM 43663 C2* G B2032 38.897 5.328 -3.498 1.00 0.00 C ATOM 43664 O2* G B2032 39.267 5.486 -4.855 1.00 0.00 O ATOM 43665 C1* G B2032 37.512 5.943 -3.343 1.00 0.00 C ATOM 43666 N9 G B2032 37.200 6.627 -1.794 1.00 0.00 N ATOM 43667 C8 G B2032 36.693 6.025 -0.660 1.00 0.00 C ATOM 43668 N7 G B2032 36.495 6.854 0.339 1.00 0.00 N ATOM 43669 C5 G B2032 36.896 8.089 -0.169 1.00 0.00 C ATOM 43670 C6 G B2032 36.910 9.369 0.446 1.00 0.00 C ATOM 43671 O6 G B2032 36.570 9.680 1.586 1.00 0.00 O ATOM 43672 N1 G B2032 37.396 10.348 -0.425 1.00 0.00 N ATOM 43673 C2 G B2032 37.813 10.128 -1.725 1.00 0.00 C ATOM 43674 N2 G B2032 38.242 11.199 -2.397 1.00 0.00 N ATOM 43675 N3 G B2032 37.796 8.926 -2.301 1.00 0.00 N ATOM 43676 C4 G B2032 37.328 7.961 -1.467 1.00 0.00 C ATOM 43677 P A B2033 40.542 2.363 -1.823 1.00 0.00 P ATOM 43678 O1P A B2033 41.169 1.023 -1.893 1.00 0.00 O ATOM 43679 O2P A B2033 39.682 2.608 -0.645 1.00 0.00 O ATOM 43680 O5* A B2033 41.750 3.695 -2.076 1.00 0.00 O ATOM 43681 C5* A B2033 42.405 4.516 -3.051 1.00 0.00 C ATOM 43682 C4* A B2033 42.797 5.999 -2.525 1.00 0.00 C ATOM 43683 O4* A B2033 41.738 6.963 -2.277 1.00 0.00 O ATOM 43684 C3* A B2033 43.815 6.269 -1.414 1.00 0.00 C ATOM 43685 O3* A B2033 45.199 5.648 -1.612 1.00 0.00 O ATOM 43686 C2* A B2033 43.726 7.784 -1.264 1.00 0.00 C ATOM 43687 O2* A B2033 44.408 8.434 -2.321 1.00 0.00 O ATOM 43688 C1* A B2033 42.239 8.027 -1.480 1.00 0.00 C ATOM 43689 N9 A B2033 41.326 8.104 -0.062 1.00 0.00 N ATOM 43690 C8 A B2033 40.637 7.091 0.569 1.00 0.00 C ATOM 43691 N7 A B2033 40.157 7.427 1.729 1.00 0.00 N ATOM 43692 C5 A B2033 40.550 8.746 1.888 1.00 0.00 C ATOM 43693 C6 A B2033 40.351 9.682 2.916 1.00 0.00 C ATOM 43694 N6 A B2033 39.671 9.410 4.038 1.00 0.00 N ATOM 43695 N1 A B2033 40.877 10.907 2.752 1.00 0.00 N ATOM 43696 C2 A B2033 41.551 11.177 1.636 1.00 0.00 C ATOM 43697 N3 A B2033 41.801 10.390 0.610 1.00 0.00 N ATOM 43698 C4 A B2033 41.260 9.168 0.802 1.00 0.00 C ATOM 43699 P U B2034 46.108 5.336 -0.060 1.00 0.00 P ATOM 43700 O1P U B2034 47.302 4.485 -0.275 1.00 0.00 O ATOM 43701 O2P U B2034 45.204 4.912 1.030 1.00 0.00 O ATOM 43702 O5* U B2034 46.550 7.092 0.044 1.00 0.00 O ATOM 43703 C5* U B2034 46.607 8.519 0.118 1.00 0.00 C ATOM 43704 C4* U B2034 46.214 9.095 1.583 1.00 0.00 C ATOM 43705 O4* U B2034 44.802 9.325 1.876 1.00 0.00 O ATOM 43706 C3* U B2034 46.765 8.509 2.879 1.00 0.00 C ATOM 43707 O3* U B2034 48.271 8.337 3.030 1.00 0.00 O ATOM 43708 C2* U B2034 45.978 9.275 3.942 1.00 0.00 C ATOM 43709 O2* U B2034 46.478 10.592 4.089 1.00 0.00 O ATOM 43710 C1* U B2034 44.608 9.393 3.281 1.00 0.00 C ATOM 43711 N1 U B2034 43.499 8.183 3.727 1.00 0.00 N ATOM 43712 C2 U B2034 42.695 8.441 4.810 1.00 0.00 C ATOM 43713 O2 U B2034 42.766 9.473 5.461 1.00 0.00 O ATOM 43714 N3 U B2034 41.791 7.446 5.130 1.00 0.00 N ATOM 43715 C4 U B2034 41.625 6.246 4.470 1.00 0.00 C ATOM 43716 O4 U B2034 40.779 5.435 4.849 1.00 0.00 O ATOM 43717 C5 U B2034 42.514 6.067 3.342 1.00 0.00 C ATOM 43718 C6 U B2034 43.407 7.018 3.015 1.00 0.00 C ATOM 43719 P G B2035 48.702 6.922 4.102 1.00 0.00 P ATOM 43720 O1P G B2035 50.130 6.544 3.996 1.00 0.00 O ATOM 43721 O2P G B2035 47.727 5.818 3.962 1.00 0.00 O ATOM 43722 O5* G B2035 48.400 7.949 5.568 1.00 0.00 O ATOM 43723 C5* G B2035 48.624 9.089 6.408 1.00 0.00 C ATOM 43724 C4* G B2035 47.847 8.994 7.834 1.00 0.00 C ATOM 43725 O4* G B2035 46.409 9.226 7.797 1.00 0.00 O ATOM 43726 C3* G B2035 48.006 7.805 8.782 1.00 0.00 C ATOM 43727 O3* G B2035 49.530 7.682 9.300 1.00 0.00 O ATOM 43728 C2* G B2035 46.910 8.072 9.810 1.00 0.00 C ATOM 43729 O2* G B2035 47.303 9.093 10.713 1.00 0.00 O ATOM 43730 C1* G B2035 45.798 8.649 8.939 1.00 0.00 C ATOM 43731 N9 G B2035 44.628 7.492 8.403 1.00 0.00 N ATOM 43732 C8 G B2035 44.713 6.581 7.373 1.00 0.00 C ATOM 43733 N7 G B2035 43.606 5.915 7.157 1.00 0.00 N ATOM 43734 C5 G B2035 42.721 6.418 8.108 1.00 0.00 C ATOM 43735 C6 G B2035 41.367 6.088 8.365 1.00 0.00 C ATOM 43736 O6 G B2035 40.654 5.263 7.797 1.00 0.00 O ATOM 43737 N1 G B2035 40.847 6.842 9.425 1.00 0.00 N ATOM 43738 C2 G B2035 41.544 7.798 10.142 1.00 0.00 C ATOM 43739 N2 G B2035 40.871 8.408 11.119 1.00 0.00 N ATOM 43740 N3 G B2035 42.816 8.108 9.901 1.00 0.00 N ATOM 43741 C4 G B2035 43.336 7.383 8.874 1.00 0.00 C ATOM 43742 P C B2036 50.590 6.141 9.375 1.00 0.00 P ATOM 43743 O1P C B2036 52.016 6.217 9.769 1.00 0.00 O ATOM 43744 O2P C B2036 50.294 5.301 8.191 1.00 0.00 O ATOM 43745 O5* C B2036 49.711 5.654 10.619 1.00 0.00 O ATOM 43746 C5* C B2036 49.780 6.394 11.853 1.00 0.00 C ATOM 43747 C4* C B2036 48.778 5.838 12.847 1.00 0.00 C ATOM 43748 O4* C B2036 47.433 6.119 12.369 1.00 0.00 O ATOM 43749 C3* C B2036 48.794 4.320 13.029 1.00 0.00 C ATOM 43750 O3* C B2036 49.768 3.925 13.945 1.00 0.00 O ATOM 43751 C2* C B2036 47.375 4.042 13.520 1.00 0.00 C ATOM 43752 O2* C B2036 47.236 4.405 14.883 1.00 0.00 O ATOM 43753 C1* C B2036 46.568 5.048 12.708 1.00 0.00 C ATOM 43754 N1 C B2036 46.013 4.488 11.445 1.00 0.00 N ATOM 43755 C2 C B2036 44.926 3.621 11.542 1.00 0.00 C ATOM 43756 O2 C B2036 44.473 3.357 12.661 1.00 0.00 O ATOM 43757 N3 C B2036 44.405 3.099 10.403 1.00 0.00 N ATOM 43758 C4 C B2036 44.924 3.414 9.205 1.00 0.00 C ATOM 43759 N4 C B2036 44.378 2.879 8.126 1.00 0.00 N ATOM 43760 C5 C B2036 46.039 4.303 9.086 1.00 0.00 C ATOM 43761 C6 C B2036 46.546 4.812 10.236 1.00 0.00 C ATOM 43762 P A B2037 50.527 2.498 13.714 1.00 0.00 P ATOM 43763 O1P A B2037 51.747 2.428 14.551 1.00 0.00 O ATOM 43764 O2P A B2037 50.725 2.272 12.268 1.00 0.00 O ATOM 43765 O5* A B2037 49.429 1.477 14.278 1.00 0.00 O ATOM 43766 C5* A B2037 49.017 1.583 15.653 1.00 0.00 C ATOM 43767 C4* A B2037 47.889 0.611 15.934 1.00 0.00 C ATOM 43768 O4* A B2037 46.705 1.040 15.201 1.00 0.00 O ATOM 43769 C3* A B2037 48.113 -0.824 15.458 1.00 0.00 C ATOM 43770 O3* A B2037 48.840 -1.564 16.387 1.00 0.00 O ATOM 43771 C2* A B2037 46.684 -1.333 15.290 1.00 0.00 C ATOM 43772 O2* A B2037 46.102 -1.629 16.549 1.00 0.00 O ATOM 43773 C1* A B2037 45.977 -0.091 14.757 1.00 0.00 C ATOM 43774 N9 A B2037 45.903 -0.036 13.269 1.00 0.00 N ATOM 43775 C8 A B2037 46.620 0.752 12.395 1.00 0.00 C ATOM 43776 N7 A B2037 46.319 0.559 11.147 1.00 0.00 N ATOM 43777 C5 A B2037 45.339 -0.422 11.186 1.00 0.00 C ATOM 43778 C6 A B2037 44.607 -1.067 10.178 1.00 0.00 C ATOM 43779 N6 A B2037 44.757 -0.805 8.872 1.00 0.00 N ATOM 43780 N1 A B2037 43.710 -1.995 10.558 1.00 0.00 N ATOM 43781 C2 A B2037 43.566 -2.250 11.861 1.00 0.00 C ATOM 43782 N3 A B2037 44.190 -1.715 12.886 1.00 0.00 N ATOM 43783 C4 A B2037 45.082 -0.790 12.474 1.00 0.00 C ATOM 43784 P G B2038 49.868 -2.711 15.847 1.00 0.00 P ATOM 43785 O1P G B2038 50.797 -3.117 16.928 1.00 0.00 O ATOM 43786 O2P G B2038 50.503 -2.252 14.591 1.00 0.00 O ATOM 43787 O5* G B2038 48.847 -3.904 15.536 1.00 0.00 O ATOM 43788 C5* G B2038 48.054 -4.443 16.608 1.00 0.00 C ATOM 43789 C4* G B2038 47.078 -5.466 16.067 1.00 0.00 C ATOM 43790 O4* G B2038 46.090 -4.786 15.237 1.00 0.00 O ATOM 43791 C3* G B2038 47.670 -6.527 15.139 1.00 0.00 C ATOM 43792 O3* G B2038 48.221 -7.588 15.856 1.00 0.00 O ATOM 43793 C2* G B2038 46.453 -6.944 14.312 1.00 0.00 C ATOM 43794 O2* G B2038 45.604 -7.792 15.064 1.00 0.00 O ATOM 43795 C1* G B2038 45.725 -5.615 14.146 1.00 0.00 C ATOM 43796 N9 G B2038 46.067 -4.896 12.888 1.00 0.00 N ATOM 43797 C8 G B2038 46.852 -3.780 12.709 1.00 0.00 C ATOM 43798 N7 G B2038 46.956 -3.393 11.460 1.00 0.00 N ATOM 43799 C5 G B2038 46.184 -4.321 10.763 1.00 0.00 C ATOM 43800 C6 G B2038 45.911 -4.426 9.372 1.00 0.00 C ATOM 43801 O6 G B2038 46.301 -3.706 8.456 1.00 0.00 O ATOM 43802 N1 G B2038 45.078 -5.519 9.094 1.00 0.00 N ATOM 43803 C2 G B2038 44.576 -6.397 10.034 1.00 0.00 C ATOM 43804 N2 G B2038 43.796 -7.375 9.564 1.00 0.00 N ATOM 43805 N3 G B2038 44.830 -6.299 11.337 1.00 0.00 N ATOM 43806 C4 G B2038 45.638 -5.244 11.625 1.00 0.00 C ATOM 43807 P U B2039 49.539 -8.340 15.258 1.00 0.00 P ATOM 43808 O1P U B2039 50.257 -9.160 16.260 1.00 0.00 O ATOM 43809 O2P U B2039 50.342 -7.291 14.591 1.00 0.00 O ATOM 43810 O5* U B2039 48.870 -9.292 14.159 1.00 0.00 O ATOM 43811 C5* U B2039 47.909 -10.277 14.581 1.00 0.00 C ATOM 43812 C4* U B2039 47.317 -10.971 13.373 1.00 0.00 C ATOM 43813 O4* U B2039 46.502 -10.019 12.631 1.00 0.00 O ATOM 43814 C3* U B2039 48.320 -11.483 12.339 1.00 0.00 C ATOM 43815 O3* U B2039 48.818 -12.737 12.684 1.00 0.00 O ATOM 43816 C2* U B2039 47.477 -11.515 11.065 1.00 0.00 C ATOM 43817 O2* U B2039 46.607 -12.634 11.068 1.00 0.00 O ATOM 43818 C1* U B2039 46.606 -10.275 11.241 1.00 0.00 C ATOM 43819 N1 U B2039 47.162 -9.057 10.586 1.00 0.00 N ATOM 43820 C2 U B2039 47.078 -8.990 9.215 1.00 0.00 C ATOM 43821 O2 U B2039 46.580 -9.872 8.538 1.00 0.00 O ATOM 43822 N3 U B2039 47.605 -7.846 8.646 1.00 0.00 N ATOM 43823 C4 U B2039 48.191 -6.792 9.316 1.00 0.00 C ATOM 43824 O4 U B2039 48.626 -5.819 8.696 1.00 0.00 O ATOM 43825 C5 U B2039 48.231 -6.955 10.751 1.00 0.00 C ATOM 43826 C6 U B2039 47.727 -8.057 11.331 1.00 0.00 C ATOM 43827 P G B2040 50.362 -13.101 12.298 1.00 0.00 P ATOM 43828 O1P G B2040 50.812 -14.292 13.054 1.00 0.00 O ATOM 43829 O2P G B2040 51.205 -11.893 12.440 1.00 0.00 O ATOM 43830 O5* G B2040 50.204 -13.471 10.751 1.00 0.00 O ATOM 43831 C5* G B2040 49.347 -14.569 10.378 1.00 0.00 C ATOM 43832 C4* G B2040 49.248 -14.661 8.869 1.00 0.00 C ATOM 43833 O4* G B2040 48.527 -13.498 8.373 1.00 0.00 O ATOM 43834 C3* G B2040 50.575 -14.623 8.110 1.00 0.00 C ATOM 43835 O3* G B2040 51.163 -15.883 8.046 1.00 0.00 O ATOM 43836 C2* G B2040 50.145 -14.101 6.742 1.00 0.00 C ATOM 43837 O2* G B2040 49.516 -15.123 5.988 1.00 0.00 O ATOM 43838 C1* G B2040 49.061 -13.095 7.121 1.00 0.00 C ATOM 43839 N9 G B2040 49.560 -11.700 7.260 1.00 0.00 N ATOM 43840 C8 G B2040 49.777 -10.964 8.404 1.00 0.00 C ATOM 43841 N7 G B2040 50.227 -9.751 8.179 1.00 0.00 N ATOM 43842 C5 G B2040 50.313 -9.681 6.789 1.00 0.00 C ATOM 43843 C6 G B2040 50.738 -8.618 5.953 1.00 0.00 C ATOM 43844 O6 G B2040 51.128 -7.497 6.270 1.00 0.00 O ATOM 43845 N1 G B2040 50.668 -8.973 4.598 1.00 0.00 N ATOM 43846 C2 G B2040 50.248 -10.195 4.116 1.00 0.00 C ATOM 43847 N2 G B2040 50.257 -10.340 2.788 1.00 0.00 N ATOM 43848 N3 G B2040 49.852 -11.195 4.902 1.00 0.00 N ATOM 43849 C4 G B2040 49.910 -10.866 6.219 1.00 0.00 C ATOM 43850 P U B2041 52.769 -15.856 9.169 1.00 0.00 P ATOM 43851 O1P U B2041 53.776 -15.035 8.466 1.00 0.00 O ATOM 43852 O2P U B2041 53.120 -17.278 9.379 1.00 0.00 O ATOM 43853 O5* U B2041 52.650 -15.096 10.938 1.00 0.00 O ATOM 43854 C5* U B2041 53.476 -14.515 12.143 1.00 0.00 C ATOM 43855 C4* U B2041 53.150 -14.737 13.810 1.00 0.00 C ATOM 43856 O4* U B2041 53.022 -16.166 14.069 1.00 0.00 O ATOM 43857 C3* U B2041 53.724 -14.177 15.111 1.00 0.00 C ATOM 43858 O3* U B2041 53.577 -12.748 15.725 1.00 0.00 O ATOM 43859 C2* U B2041 53.041 -15.041 16.166 1.00 0.00 C ATOM 43860 O2* U B2041 51.695 -14.634 16.352 1.00 0.00 O ATOM 43861 C1* U B2041 52.999 -16.399 15.467 1.00 0.00 C ATOM 43862 N1 U B2041 54.264 -17.416 15.850 1.00 0.00 N ATOM 43863 C2 U B2041 54.317 -17.889 17.136 1.00 0.00 C ATOM 43864 O2 U B2041 53.545 -17.519 18.007 1.00 0.00 O ATOM 43865 N3 U B2041 55.306 -18.816 17.393 1.00 0.00 N ATOM 43866 C4 U B2041 56.229 -19.297 16.484 1.00 0.00 C ATOM 43867 O4 U B2041 57.071 -20.130 16.833 1.00 0.00 O ATOM 43868 C5 U B2041 56.093 -18.747 15.159 1.00 0.00 C ATOM 43869 C6 U B2041 55.141 -17.845 14.884 1.00 0.00 C ATOM 43870 P A B2042 54.034 -12.325 17.543 1.00 0.00 P ATOM 43871 O1P A B2042 55.200 -11.470 17.235 1.00 0.00 O ATOM 43872 O2P A B2042 54.298 -13.490 18.412 1.00 0.00 O ATOM 43873 O5* A B2042 52.606 -11.361 18.430 1.00 0.00 O ATOM 43874 C5* A B2042 51.196 -10.747 18.913 1.00 0.00 C ATOM 43875 C4* A B2042 50.857 -9.359 19.963 1.00 0.00 C ATOM 43876 O4* A B2042 52.203 -9.080 20.441 1.00 0.00 O ATOM 43877 C3* A B2042 49.952 -8.787 21.054 1.00 0.00 C ATOM 43878 O3* A B2042 48.627 -7.878 21.237 1.00 0.00 O ATOM 43879 C2* A B2042 50.752 -9.082 22.319 1.00 0.00 C ATOM 43880 O2* A B2042 50.647 -10.449 22.677 1.00 0.00 O ATOM 43881 C1* A B2042 52.183 -8.857 21.842 1.00 0.00 C ATOM 43882 N9 A B2042 52.795 -7.310 22.145 1.00 0.00 N ATOM 43883 C8 A B2042 52.513 -6.136 21.483 1.00 0.00 C ATOM 43884 N7 A B2042 53.280 -5.144 21.823 1.00 0.00 N ATOM 43885 C5 A B2042 54.128 -5.684 22.774 1.00 0.00 C ATOM 43886 C6 A B2042 55.180 -5.136 23.528 1.00 0.00 C ATOM 43887 N6 A B2042 55.567 -3.857 23.433 1.00 0.00 N ATOM 43888 N1 A B2042 55.817 -5.954 24.387 1.00 0.00 N ATOM 43889 C2 A B2042 55.425 -7.224 24.478 1.00 0.00 C ATOM 43890 N3 A B2042 54.463 -7.845 23.828 1.00 0.00 N ATOM 43891 C4 A B2042 53.839 -7.006 22.976 1.00 0.00 C ATOM 43892 P C B2043 46.812 -8.333 21.317 1.00 0.00 P ATOM 43893 O1P C B2043 46.253 -7.549 20.193 1.00 0.00 O ATOM 43894 O2P C B2043 45.959 -8.427 22.520 1.00 0.00 O ATOM 43895 O5* C B2043 47.200 -9.802 20.812 1.00 0.00 O ATOM 43896 C5* C B2043 47.752 -9.961 19.491 1.00 0.00 C ATOM 43897 C4* C B2043 48.159 -11.403 19.272 1.00 0.00 C ATOM 43898 O4* C B2043 49.287 -11.711 20.142 1.00 0.00 O ATOM 43899 C3* C B2043 47.112 -12.457 19.641 1.00 0.00 C ATOM 43900 O3* C B2043 46.205 -12.663 18.603 1.00 0.00 O ATOM 43901 C2* C B2043 47.977 -13.682 19.924 1.00 0.00 C ATOM 43902 O2* C B2043 48.427 -14.268 18.714 1.00 0.00 O ATOM 43903 C1* C B2043 49.194 -13.055 20.592 1.00 0.00 C ATOM 43904 N1 C B2043 49.116 -13.035 22.079 1.00 0.00 N ATOM 43905 C2 C B2043 49.306 -14.235 22.757 1.00 0.00 C ATOM 43906 O2 C B2043 49.530 -15.260 22.102 1.00 0.00 O ATOM 43907 N3 C B2043 49.236 -14.238 24.113 1.00 0.00 N ATOM 43908 C4 C B2043 48.992 -13.107 24.785 1.00 0.00 C ATOM 43909 N4 C B2043 48.936 -13.161 26.109 1.00 0.00 N ATOM 43910 C5 C B2043 48.796 -11.860 24.109 1.00 0.00 C ATOM 43911 C6 C B2043 48.867 -11.879 22.754 1.00 0.00 C ATOM 43912 P C B2044 44.658 -13.021 18.976 1.00 0.00 P ATOM 43913 O1P C B2044 43.792 -12.840 17.788 1.00 0.00 O ATOM 43914 O2P C B2044 44.255 -12.272 20.186 1.00 0.00 O ATOM 43915 O5* C B2044 44.785 -14.578 19.320 1.00 0.00 O ATOM 43916 C5* C B2044 45.251 -15.484 18.305 1.00 0.00 C ATOM 43917 C4* C B2044 45.414 -16.875 18.882 1.00 0.00 C ATOM 43918 O4* C B2044 46.509 -16.864 19.842 1.00 0.00 O ATOM 43919 C3* C B2044 44.225 -17.405 19.687 1.00 0.00 C ATOM 43920 O3* C B2044 43.258 -17.972 18.860 1.00 0.00 O ATOM 43921 C2* C B2044 44.891 -18.427 20.604 1.00 0.00 C ATOM 43922 O2* C B2044 45.195 -19.616 19.896 1.00 0.00 O ATOM 43923 C1* C B2044 46.219 -17.743 20.917 1.00 0.00 C ATOM 43924 N1 C B2044 46.199 -16.943 22.172 1.00 0.00 N ATOM 43925 C2 C B2044 46.218 -17.633 23.381 1.00 0.00 C ATOM 43926 O2 C B2044 46.247 -18.871 23.360 1.00 0.00 O ATOM 43927 N3 C B2044 46.201 -16.926 24.538 1.00 0.00 N ATOM 43928 C4 C B2044 46.169 -15.587 24.518 1.00 0.00 C ATOM 43929 N4 C B2044 46.154 -14.941 25.673 1.00 0.00 N ATOM 43930 C5 C B2044 46.149 -14.857 23.283 1.00 0.00 C ATOM 43931 C6 C B2044 46.166 -15.585 22.139 1.00 0.00 C ATOM 43932 P C B2045 41.688 -17.840 19.283 1.00 0.00 P ATOM 43933 O1P C B2045 40.819 -18.166 18.127 1.00 0.00 O ATOM 43934 O2P C B2045 41.456 -16.519 19.908 1.00 0.00 O ATOM 43935 O5* C B2045 41.574 -18.992 20.388 1.00 0.00 O ATOM 43936 C5* C B2045 41.853 -20.352 20.009 1.00 0.00 C ATOM 43937 C4* C B2045 41.808 -21.247 21.231 1.00 0.00 C ATOM 43938 O4* C B2045 42.927 -20.913 22.101 1.00 0.00 O ATOM 43939 C3* C B2045 40.581 -21.089 22.129 1.00 0.00 C ATOM 43940 O3* C B2045 39.505 -21.844 21.666 1.00 0.00 O ATOM 43941 C2* C B2045 41.108 -21.580 23.476 1.00 0.00 C ATOM 43942 O2* C B2045 41.190 -22.995 23.500 1.00 0.00 O ATOM 43943 C1* C B2045 42.540 -21.052 23.458 1.00 0.00 C ATOM 43944 N1 C B2045 42.698 -19.728 24.120 1.00 0.00 N ATOM 43945 C2 C B2045 42.649 -19.686 25.509 1.00 0.00 C ATOM 43946 O2 C B2045 42.477 -20.740 26.132 1.00 0.00 O ATOM 43947 N3 C B2045 42.792 -18.487 26.132 1.00 0.00 N ATOM 43948 C4 C B2045 42.973 -17.366 25.422 1.00 0.00 C ATOM 43949 N4 C B2045 43.107 -16.224 26.075 1.00 0.00 N ATOM 43950 C5 C B2045 43.026 -17.388 23.991 1.00 0.00 C ATOM 43951 C6 C B2045 42.882 -18.593 23.389 1.00 0.00 C ATOM 43952 P G B2046 37.995 -21.267 21.875 1.00 0.00 P ATOM 43953 O1P G B2046 37.041 -22.000 21.013 1.00 0.00 O ATOM 43954 O2P G B2046 38.003 -19.794 21.718 1.00 0.00 O ATOM 43955 O5* G B2046 37.737 -21.644 23.411 1.00 0.00 O ATOM 43956 C5* G B2046 37.779 -23.030 23.802 1.00 0.00 C ATOM 43957 C4* G B2046 37.638 -23.145 25.306 1.00 0.00 C ATOM 43958 O4* G B2046 38.826 -22.589 25.938 1.00 0.00 O ATOM 43959 C3* G B2046 36.487 -22.352 25.931 1.00 0.00 C ATOM 43960 O3* G B2046 35.288 -23.058 25.869 1.00 0.00 O ATOM 43961 C2* G B2046 36.976 -22.150 27.363 1.00 0.00 C ATOM 43962 O2* G B2046 36.832 -23.344 28.118 1.00 0.00 O ATOM 43963 C1* G B2046 38.473 -21.942 27.150 1.00 0.00 C ATOM 43964 N9 G B2046 38.867 -20.510 27.040 1.00 0.00 N ATOM 43965 C8 G B2046 39.237 -19.793 25.921 1.00 0.00 C ATOM 43966 N7 G B2046 39.527 -18.540 26.168 1.00 0.00 N ATOM 43967 C5 G B2046 39.337 -18.416 27.543 1.00 0.00 C ATOM 43968 C6 G B2046 39.494 -17.291 28.391 1.00 0.00 C ATOM 43969 O6 G B2046 39.842 -16.149 28.099 1.00 0.00 O ATOM 43970 N1 G B2046 39.198 -17.607 29.724 1.00 0.00 N ATOM 43971 C2 G B2046 38.795 -18.849 30.178 1.00 0.00 C ATOM 43972 N2 G B2046 38.559 -18.945 31.485 1.00 0.00 N ATOM 43973 N3 G B2046 38.647 -19.904 29.379 1.00 0.00 N ATOM 43974 C4 G B2046 38.935 -19.613 28.084 1.00 0.00 C ATOM 43975 P C B2047 33.896 -22.225 25.672 1.00 0.00 P ATOM 43976 O1P C B2047 32.806 -23.139 25.262 1.00 0.00 O ATOM 43977 O2P C B2047 34.136 -21.072 24.777 1.00 0.00 O ATOM 43978 O5* C B2047 33.641 -21.712 27.166 1.00 0.00 O ATOM 43979 C5* C B2047 33.473 -22.677 28.218 1.00 0.00 C ATOM 43980 C4* C B2047 33.371 -21.975 29.556 1.00 0.00 C ATOM 43981 O4* C B2047 34.657 -21.369 29.871 1.00 0.00 O ATOM 43982 C3* C B2047 32.387 -20.808 29.621 1.00 0.00 C ATOM 43983 O3* C B2047 31.088 -21.242 29.870 1.00 0.00 O ATOM 43984 C2* C B2047 32.956 -19.972 30.768 1.00 0.00 C ATOM 43985 O2* C B2047 32.649 -20.564 32.020 1.00 0.00 O ATOM 43986 C1* C B2047 34.458 -20.143 30.554 1.00 0.00 C ATOM 43987 N1 C B2047 35.074 -19.057 29.740 1.00 0.00 N ATOM 43988 C2 C B2047 35.252 -17.816 30.343 1.00 0.00 C ATOM 43989 O2 C B2047 34.896 -17.666 31.519 1.00 0.00 O ATOM 43990 N3 C B2047 35.811 -16.812 29.622 1.00 0.00 N ATOM 43991 C4 C B2047 36.185 -17.013 28.350 1.00 0.00 C ATOM 43992 N4 C B2047 36.726 -16.004 27.688 1.00 0.00 N ATOM 43993 C5 C B2047 36.011 -18.283 27.711 1.00 0.00 C ATOM 43994 C6 C B2047 35.448 -19.271 28.450 1.00 0.00 C ATOM 43995 P G B2048 29.844 -20.426 29.199 1.00 0.00 P ATOM 43996 O1P G B2048 28.606 -21.234 29.266 1.00 0.00 O ATOM 43997 O2P G B2048 30.232 -19.955 27.853 1.00 0.00 O ATOM 43998 O5* G B2048 29.731 -19.180 30.197 1.00 0.00 O ATOM 43999 C5* G B2048 29.448 -19.423 31.588 1.00 0.00 C ATOM 44000 C4* G B2048 29.511 -18.124 32.367 1.00 0.00 C ATOM 44001 O4* G B2048 30.890 -17.654 32.387 1.00 0.00 O ATOM 44002 C3* G B2048 28.734 -16.952 31.768 1.00 0.00 C ATOM 44003 O3* G B2048 27.391 -16.987 32.138 1.00 0.00 O ATOM 44004 C2* G B2048 29.474 -15.749 32.346 1.00 0.00 C ATOM 44005 O2* G B2048 29.121 -15.548 33.706 1.00 0.00 O ATOM 44006 C1* G B2048 30.917 -16.236 32.331 1.00 0.00 C ATOM 44007 N9 G B2048 31.669 -15.841 31.106 1.00 0.00 N ATOM 44008 C8 G B2048 32.045 -16.612 30.027 1.00 0.00 C ATOM 44009 N7 G B2048 32.705 -15.953 29.103 1.00 0.00 N ATOM 44010 C5 G B2048 32.767 -14.652 29.607 1.00 0.00 C ATOM 44011 C6 G B2048 33.357 -13.488 29.054 1.00 0.00 C ATOM 44012 O6 G B2048 33.959 -13.359 27.991 1.00 0.00 O ATOM 44013 N1 G B2048 33.190 -12.380 29.898 1.00 0.00 N ATOM 44014 C2 G B2048 32.538 -12.398 31.115 1.00 0.00 C ATOM 44015 N2 G B2048 32.485 -11.235 31.767 1.00 0.00 N ATOM 44016 N3 G B2048 31.984 -13.490 31.633 1.00 0.00 N ATOM 44017 C4 G B2048 32.138 -14.575 30.828 1.00 0.00 C ATOM 44018 P G B2049 26.270 -16.448 31.081 1.00 0.00 P ATOM 44019 O1P G B2049 24.922 -16.900 31.491 1.00 0.00 O ATOM 44020 O2P G B2049 26.677 -16.810 29.705 1.00 0.00 O ATOM 44021 O5* G B2049 26.399 -14.868 31.284 1.00 0.00 O ATOM 44022 C5* G B2049 26.131 -14.306 32.583 1.00 0.00 C ATOM 44023 C4* G B2049 26.433 -12.824 32.579 1.00 0.00 C ATOM 44024 O4* G B2049 27.870 -12.633 32.427 1.00 0.00 O ATOM 44025 C3* G B2049 25.833 -12.023 31.425 1.00 0.00 C ATOM 44026 O3* G B2049 24.517 -11.650 31.689 1.00 0.00 O ATOM 44027 C2* G B2049 26.777 -10.828 31.335 1.00 0.00 C ATOM 44028 O2* G B2049 26.515 -9.902 32.376 1.00 0.00 O ATOM 44029 C1* G B2049 28.122 -11.475 31.649 1.00 0.00 C ATOM 44030 N9 G B2049 28.882 -11.892 30.438 1.00 0.00 N ATOM 44031 C8 G B2049 29.087 -13.159 29.935 1.00 0.00 C ATOM 44032 N7 G B2049 29.809 -13.185 28.838 1.00 0.00 N ATOM 44033 C5 G B2049 30.101 -11.841 28.599 1.00 0.00 C ATOM 44034 C6 G B2049 30.848 -11.241 27.557 1.00 0.00 C ATOM 44035 O6 G B2049 31.420 -11.776 26.611 1.00 0.00 O ATOM 44036 N1 G B2049 30.894 -9.848 27.696 1.00 0.00 N ATOM 44037 C2 G B2049 30.294 -9.128 28.711 1.00 0.00 C ATOM 44038 N2 G B2049 30.454 -7.804 28.669 1.00 0.00 N ATOM 44039 N3 G B2049 29.591 -9.694 29.691 1.00 0.00 N ATOM 44040 C4 G B2049 29.537 -11.046 29.572 1.00 0.00 C ATOM 44041 P C B2050 23.456 -11.570 30.449 1.00 0.00 P ATOM 44042 O1P C B2050 22.070 -11.523 30.963 1.00 0.00 O ATOM 44043 O2P C B2050 23.751 -12.648 29.481 1.00 0.00 O ATOM 44044 O5* C B2050 23.846 -10.153 29.815 1.00 0.00 O ATOM 44045 C5* C B2050 23.723 -8.968 30.625 1.00 0.00 C ATOM 44046 C4* C B2050 24.258 -7.768 29.870 1.00 0.00 C ATOM 44047 O4* C B2050 25.698 -7.915 29.717 1.00 0.00 O ATOM 44048 C3* C B2050 23.749 -7.599 28.438 1.00 0.00 C ATOM 44049 O3* C B2050 22.522 -6.941 28.406 1.00 0.00 O ATOM 44050 C2* C B2050 24.871 -6.787 27.795 1.00 0.00 C ATOM 44051 O2* C B2050 24.801 -5.430 28.192 1.00 0.00 O ATOM 44052 C1* C B2050 26.106 -7.382 28.464 1.00 0.00 C ATOM 44053 N1 C B2050 26.744 -8.481 27.684 1.00 0.00 N ATOM 44054 C2 C B2050 27.468 -8.132 26.549 1.00 0.00 C ATOM 44055 O2 C B2050 27.555 -6.939 26.240 1.00 0.00 O ATOM 44056 N3 C B2050 28.053 -9.118 25.823 1.00 0.00 N ATOM 44057 C4 C B2050 27.938 -10.400 26.190 1.00 0.00 C ATOM 44058 N4 C B2050 28.530 -11.324 25.451 1.00 0.00 N ATOM 44059 C5 C B2050 27.196 -10.779 27.356 1.00 0.00 C ATOM 44060 C6 C B2050 26.616 -9.778 28.067 1.00 0.00 C ATOM 44061 P A B2051 21.169 -7.982 29.480 1.00 0.00 P ATOM 44062 O1P A B2051 20.852 -7.057 30.590 1.00 0.00 O ATOM 44063 O2P A B2051 21.598 -9.340 29.871 1.00 0.00 O ATOM 44064 O5* A B2051 19.539 -8.413 28.536 1.00 0.00 O ATOM 44065 C5* A B2051 18.130 -8.562 27.980 1.00 0.00 C ATOM 44066 C4* A B2051 17.434 -7.949 26.565 1.00 0.00 C ATOM 44067 O4* A B2051 15.986 -7.819 26.515 1.00 0.00 O ATOM 44068 C3* A B2051 17.936 -6.800 25.687 1.00 0.00 C ATOM 44069 O3* A B2051 18.900 -5.650 26.086 1.00 0.00 O ATOM 44070 C2* A B2051 16.875 -6.740 24.594 1.00 0.00 C ATOM 44071 O2* A B2051 17.063 -7.800 23.661 1.00 0.00 O ATOM 44072 C1* A B2051 15.605 -7.061 25.379 1.00 0.00 C ATOM 44073 N9 A B2051 14.727 -5.682 25.917 1.00 0.00 N ATOM 44074 C8 A B2051 15.205 -4.552 26.535 1.00 0.00 C ATOM 44075 N7 A B2051 14.297 -3.655 26.764 1.00 0.00 N ATOM 44076 C5 A B2051 13.132 -4.218 26.258 1.00 0.00 C ATOM 44077 C6 A B2051 11.805 -3.765 26.193 1.00 0.00 C ATOM 44078 N6 A B2051 11.415 -2.571 26.663 1.00 0.00 N ATOM 44079 N1 A B2051 10.895 -4.578 25.632 1.00 0.00 N ATOM 44080 C2 A B2051 11.290 -5.760 25.170 1.00 0.00 C ATOM 44081 N3 A B2051 12.495 -6.293 25.173 1.00 0.00 N ATOM 44082 C4 A B2051 13.385 -5.460 25.744 1.00 0.00 C ATOM 44083 P A B2052 20.426 -6.206 26.929 1.00 0.00 P ATOM 44084 O1P A B2052 20.577 -7.645 26.621 1.00 0.00 O ATOM 44085 O2P A B2052 20.582 -5.835 28.352 1.00 0.00 O ATOM 44086 O5* A B2052 21.436 -5.348 26.032 1.00 0.00 O ATOM 44087 C5* A B2052 21.970 -4.123 26.566 1.00 0.00 C ATOM 44088 C4* A B2052 22.992 -3.543 25.609 1.00 0.00 C ATOM 44089 O4* A B2052 24.156 -4.422 25.575 1.00 0.00 O ATOM 44090 C3* A B2052 22.559 -3.450 24.146 1.00 0.00 C ATOM 44091 O3* A B2052 21.830 -2.290 23.904 1.00 0.00 O ATOM 44092 C2* A B2052 23.900 -3.466 23.415 1.00 0.00 C ATOM 44093 O2* A B2052 24.542 -2.206 23.510 1.00 0.00 O ATOM 44094 C1* A B2052 24.704 -4.443 24.267 1.00 0.00 C ATOM 44095 N9 A B2052 24.656 -5.848 23.773 1.00 0.00 N ATOM 44096 C8 A B2052 23.971 -6.925 24.286 1.00 0.00 C ATOM 44097 N7 A B2052 24.141 -8.024 23.618 1.00 0.00 N ATOM 44098 C5 A B2052 24.994 -7.662 22.589 1.00 0.00 C ATOM 44099 C6 A B2052 25.556 -8.386 21.524 1.00 0.00 C ATOM 44100 N6 A B2052 25.331 -9.693 21.317 1.00 0.00 N ATOM 44101 N1 A B2052 26.365 -7.721 20.677 1.00 0.00 N ATOM 44102 C2 A B2052 26.585 -6.424 20.887 1.00 0.00 C ATOM 44103 N3 A B2052 26.119 -5.645 21.842 1.00 0.00 N ATOM 44104 C4 A B2052 25.312 -6.337 22.673 1.00 0.00 C ATOM 44105 P G B2053 20.629 -2.334 22.796 1.00 0.00 P ATOM 44106 O1P G B2053 19.754 -1.152 22.942 1.00 0.00 O ATOM 44107 O2P G B2053 19.951 -3.649 22.859 1.00 0.00 O ATOM 44108 O5* G B2053 21.467 -2.221 21.438 1.00 0.00 O ATOM 44109 C5* G B2053 22.280 -1.054 21.213 1.00 0.00 C ATOM 44110 C4* G B2053 23.077 -1.210 19.935 1.00 0.00 C ATOM 44111 O4* G B2053 24.063 -2.267 20.125 1.00 0.00 O ATOM 44112 C3* G B2053 22.285 -1.666 18.707 1.00 0.00 C ATOM 44113 O3* G B2053 21.671 -0.588 18.068 1.00 0.00 O ATOM 44114 C2* G B2053 23.366 -2.321 17.853 1.00 0.00 C ATOM 44115 O2* G B2053 24.170 -1.340 17.221 1.00 0.00 O ATOM 44116 C1* G B2053 24.235 -2.987 18.916 1.00 0.00 C ATOM 44117 N9 G B2053 23.876 -4.410 19.175 1.00 0.00 N ATOM 44118 C8 G B2053 23.219 -4.959 20.255 1.00 0.00 C ATOM 44119 N7 G B2053 23.061 -6.259 20.173 1.00 0.00 N ATOM 44120 C5 G B2053 23.655 -6.594 18.958 1.00 0.00 C ATOM 44121 C6 G B2053 23.795 -7.854 18.326 1.00 0.00 C ATOM 44122 O6 G B2053 23.418 -8.956 18.714 1.00 0.00 O ATOM 44123 N1 G B2053 24.466 -7.741 17.100 1.00 0.00 N ATOM 44124 C2 G B2053 24.935 -6.564 16.555 1.00 0.00 C ATOM 44125 N2 G B2053 25.545 -6.667 15.373 1.00 0.00 N ATOM 44126 N3 G B2053 24.803 -5.379 17.150 1.00 0.00 N ATOM 44127 C4 G B2053 24.156 -5.472 18.342 1.00 0.00 C ATOM 44128 P A B2054 20.225 -0.826 17.346 1.00 0.00 P ATOM 44129 O1P A B2054 19.580 0.474 17.057 1.00 0.00 O ATOM 44130 O2P A B2054 19.426 -1.777 18.150 1.00 0.00 O ATOM 44131 O5* A B2054 20.683 -1.523 15.980 1.00 0.00 O ATOM 44132 C5* A B2054 21.549 -0.801 15.086 1.00 0.00 C ATOM 44133 C4* A B2054 21.951 -1.688 13.925 1.00 0.00 C ATOM 44134 O4* A B2054 22.808 -2.756 14.421 1.00 0.00 O ATOM 44135 C3* A B2054 20.811 -2.426 13.224 1.00 0.00 C ATOM 44136 O3* A B2054 20.194 -1.625 12.264 1.00 0.00 O ATOM 44137 C2* A B2054 21.531 -3.626 12.618 1.00 0.00 C ATOM 44138 O2* A B2054 22.259 -3.244 11.462 1.00 0.00 O ATOM 44139 C1* A B2054 22.557 -3.950 13.699 1.00 0.00 C ATOM 44140 N9 A B2054 22.101 -4.987 14.668 1.00 0.00 N ATOM 44141 C8 A B2054 21.688 -4.832 15.972 1.00 0.00 C ATOM 44142 N7 A B2054 21.348 -5.942 16.552 1.00 0.00 N ATOM 44143 C5 A B2054 21.547 -6.907 15.572 1.00 0.00 C ATOM 44144 C6 A B2054 21.367 -8.298 15.564 1.00 0.00 C ATOM 44145 N6 A B2054 20.924 -8.990 16.623 1.00 0.00 N ATOM 44146 N1 A B2054 21.659 -8.954 14.425 1.00 0.00 N ATOM 44147 C2 A B2054 22.098 -8.256 13.380 1.00 0.00 C ATOM 44148 N3 A B2054 22.303 -6.961 13.270 1.00 0.00 N ATOM 44149 C4 A B2054 22.005 -6.329 14.424 1.00 0.00 C ATOM 44150 P C B2055 18.458 -1.366 12.961 1.00 0.00 P ATOM 44151 O1P C B2055 17.566 -2.005 11.960 1.00 0.00 O ATOM 44152 O2P C B2055 18.212 0.069 13.218 1.00 0.00 O ATOM 44153 O5* C B2055 18.332 -2.232 14.650 1.00 0.00 O ATOM 44154 C5* C B2055 17.620 -2.758 15.928 1.00 0.00 C ATOM 44155 C4* C B2055 16.440 -1.859 16.841 1.00 0.00 C ATOM 44156 O4* C B2055 17.172 -0.654 17.206 1.00 0.00 O ATOM 44157 C3* C B2055 15.218 -1.332 16.084 1.00 0.00 C ATOM 44158 O3* C B2055 14.147 -2.497 15.632 1.00 0.00 O ATOM 44159 C2* C B2055 14.907 -0.043 16.836 1.00 0.00 C ATOM 44160 O2* C B2055 14.266 -0.322 18.067 1.00 0.00 O ATOM 44161 C1* C B2055 16.305 0.467 17.165 1.00 0.00 C ATOM 44162 N1 C B2055 16.947 1.615 16.023 1.00 0.00 N ATOM 44163 C2 C B2055 16.187 2.746 15.741 1.00 0.00 C ATOM 44164 O2 C B2055 15.071 2.858 16.267 1.00 0.00 O ATOM 44165 N3 C B2055 16.693 3.682 14.904 1.00 0.00 N ATOM 44166 C4 C B2055 17.903 3.522 14.354 1.00 0.00 C ATOM 44167 N4 C B2055 18.355 4.465 13.541 1.00 0.00 N ATOM 44168 C5 C B2055 18.707 2.369 14.632 1.00 0.00 C ATOM 44169 C6 C B2055 18.182 1.445 15.474 1.00 0.00 C ATOM 44170 P G B2056 14.725 -2.816 13.751 1.00 0.00 P ATOM 44171 O1P G B2056 16.014 -2.486 14.397 1.00 0.00 O ATOM 44172 O2P G B2056 14.147 -1.765 12.886 1.00 0.00 O ATOM 44173 O5* G B2056 14.871 -4.177 12.917 1.00 0.00 O ATOM 44174 C5* G B2056 15.581 -4.158 11.666 1.00 0.00 C ATOM 44175 C4* G B2056 15.707 -5.565 11.117 1.00 0.00 C ATOM 44176 O4* G B2056 16.589 -6.333 11.985 1.00 0.00 O ATOM 44177 C3* G B2056 14.416 -6.385 11.088 1.00 0.00 C ATOM 44178 O3* G B2056 13.666 -6.118 9.944 1.00 0.00 O ATOM 44179 C2* G B2056 14.947 -7.818 11.125 1.00 0.00 C ATOM 44180 O2* G B2056 15.453 -8.198 9.857 1.00 0.00 O ATOM 44181 C1* G B2056 16.147 -7.677 12.056 1.00 0.00 C ATOM 44182 N9 G B2056 15.833 -7.984 13.483 1.00 0.00 N ATOM 44183 C8 G B2056 15.688 -7.122 14.546 1.00 0.00 C ATOM 44184 N7 G B2056 15.411 -7.717 15.681 1.00 0.00 N ATOM 44185 C5 G B2056 15.369 -9.070 15.344 1.00 0.00 C ATOM 44186 C6 G B2056 15.113 -10.206 16.154 1.00 0.00 C ATOM 44187 O6 G B2056 14.867 -10.252 17.356 1.00 0.00 O ATOM 44188 N1 G B2056 15.168 -11.389 15.407 1.00 0.00 N ATOM 44189 C2 G B2056 15.433 -11.467 14.053 1.00 0.00 C ATOM 44190 N2 G B2056 15.440 -12.693 13.526 1.00 0.00 N ATOM 44191 N3 G B2056 15.673 -10.399 13.294 1.00 0.00 N ATOM 44192 C4 G B2056 15.625 -9.242 14.004 1.00 0.00 C ATOM 44193 P G B2057 12.037 -6.164 10.046 1.00 0.00 P ATOM 44194 O1P G B2057 11.432 -5.508 8.867 1.00 0.00 O ATOM 44195 O2P G B2057 11.611 -5.638 11.362 1.00 0.00 O ATOM 44196 O5* G B2057 11.778 -7.742 9.980 1.00 0.00 O ATOM 44197 C5* G B2057 12.203 -8.471 8.815 1.00 0.00 C ATOM 44198 C4* G B2057 11.971 -9.955 9.021 1.00 0.00 C ATOM 44199 O4* G B2057 12.875 -10.435 10.056 1.00 0.00 O ATOM 44200 C3* G B2057 10.585 -10.349 9.532 1.00 0.00 C ATOM 44201 O3* G B2057 9.668 -10.458 8.489 1.00 0.00 O ATOM 44202 C2* G B2057 10.865 -11.688 10.209 1.00 0.00 C ATOM 44203 O2* G B2057 11.022 -12.718 9.248 1.00 0.00 O ATOM 44204 C1* G B2057 12.237 -11.440 10.826 1.00 0.00 C ATOM 44205 N9 G B2057 12.183 -10.974 12.239 1.00 0.00 N ATOM 44206 C8 G B2057 12.412 -9.716 12.749 1.00 0.00 C ATOM 44207 N7 G B2057 12.285 -9.639 14.054 1.00 0.00 N ATOM 44208 C5 G B2057 11.948 -10.937 14.432 1.00 0.00 C ATOM 44209 C6 G B2057 11.681 -11.476 15.717 1.00 0.00 C ATOM 44210 O6 G B2057 11.687 -10.907 16.807 1.00 0.00 O ATOM 44211 N1 G B2057 11.377 -12.843 15.648 1.00 0.00 N ATOM 44212 C2 G B2057 11.337 -13.591 14.489 1.00 0.00 C ATOM 44213 N2 G B2057 11.026 -14.882 14.635 1.00 0.00 N ATOM 44214 N3 G B2057 11.584 -13.086 13.282 1.00 0.00 N ATOM 44215 C4 G B2057 11.883 -11.760 13.334 1.00 0.00 C ATOM 44216 P A B2058 8.398 -9.075 8.906 1.00 0.00 P ATOM 44217 O1P A B2058 8.842 -7.832 8.229 1.00 0.00 O ATOM 44218 O2P A B2058 8.246 -8.993 10.376 1.00 0.00 O ATOM 44219 O5* A B2058 6.721 -9.522 8.215 1.00 0.00 O ATOM 44220 C5* A B2058 5.433 -8.858 8.583 1.00 0.00 C ATOM 44221 C4* A B2058 5.165 -7.333 8.015 1.00 0.00 C ATOM 44222 O4* A B2058 5.863 -6.917 6.809 1.00 0.00 O ATOM 44223 C3* A B2058 4.612 -6.034 8.595 1.00 0.00 C ATOM 44224 O3* A B2058 3.945 -5.836 9.942 1.00 0.00 O ATOM 44225 C2* A B2058 5.725 -5.042 8.263 1.00 0.00 C ATOM 44226 O2* A B2058 6.825 -5.202 9.143 1.00 0.00 O ATOM 44227 C1* A B2058 6.175 -5.534 6.892 1.00 0.00 C ATOM 44228 N9 A B2058 5.469 -4.767 5.623 1.00 0.00 N ATOM 44229 C8 A B2058 4.374 -3.932 5.632 1.00 0.00 C ATOM 44230 N7 A B2058 4.181 -3.296 4.516 1.00 0.00 N ATOM 44231 C5 A B2058 5.218 -3.737 3.703 1.00 0.00 C ATOM 44232 C6 A B2058 5.573 -3.430 2.377 1.00 0.00 C ATOM 44233 N6 A B2058 4.893 -2.577 1.607 1.00 0.00 N ATOM 44234 N1 A B2058 6.658 -4.043 1.875 1.00 0.00 N ATOM 44235 C2 A B2058 7.336 -4.898 2.645 1.00 0.00 C ATOM 44236 N3 A B2058 7.097 -5.257 3.887 1.00 0.00 N ATOM 44237 C4 A B2058 6.001 -4.630 4.368 1.00 0.00 C ATOM 44238 P A B2059 3.080 -4.230 10.132 1.00 0.00 P ATOM 44239 O1P A B2059 2.096 -4.013 9.047 1.00 0.00 O ATOM 44240 O2P A B2059 3.975 -3.089 10.420 1.00 0.00 O ATOM 44241 O5* A B2059 2.386 -4.796 11.716 1.00 0.00 O ATOM 44242 C5* A B2059 2.156 -4.367 13.082 1.00 0.00 C ATOM 44243 C4* A B2059 0.554 -4.240 13.365 1.00 0.00 C ATOM 44244 O4* A B2059 -0.181 -4.991 12.358 1.00 0.00 O ATOM 44245 C3* A B2059 -0.175 -4.559 14.670 1.00 0.00 C ATOM 44246 O3* A B2059 -0.110 -3.567 15.891 1.00 0.00 O ATOM 44247 C2* A B2059 -1.628 -4.643 14.211 1.00 0.00 C ATOM 44248 O2* A B2059 -2.164 -3.347 13.996 1.00 0.00 O ATOM 44249 C1* A B2059 -1.480 -5.297 12.841 1.00 0.00 C ATOM 44250 N9 A B2059 -1.665 -6.963 12.839 1.00 0.00 N ATOM 44251 C8 A B2059 -2.791 -7.699 13.140 1.00 0.00 C ATOM 44252 N7 A B2059 -2.677 -8.962 12.870 1.00 0.00 N ATOM 44253 C5 A B2059 -1.395 -9.085 12.356 1.00 0.00 C ATOM 44254 C6 A B2059 -0.667 -10.186 11.874 1.00 0.00 C ATOM 44255 N6 A B2059 -1.156 -11.435 11.840 1.00 0.00 N ATOM 44256 N1 A B2059 0.584 -9.955 11.437 1.00 0.00 N ATOM 44257 C2 A B2059 1.064 -8.713 11.477 1.00 0.00 C ATOM 44258 N3 A B2059 0.477 -7.613 11.898 1.00 0.00 N ATOM 44259 C4 A B2059 -0.775 -7.872 12.335 1.00 0.00 C ATOM 44260 P A B2060 -0.441 -1.734 15.730 1.00 0.00 P ATOM 44261 O1P A B2060 -0.555 -1.341 14.306 1.00 0.00 O ATOM 44262 O2P A B2060 0.590 -1.022 16.516 1.00 0.00 O ATOM 44263 O5* A B2060 -2.114 -1.514 16.535 1.00 0.00 O ATOM 44264 C5* A B2060 -2.925 -0.260 16.474 1.00 0.00 C ATOM 44265 C4* A B2060 -4.331 0.132 17.341 1.00 0.00 C ATOM 44266 O4* A B2060 -4.111 -0.150 18.751 1.00 0.00 O ATOM 44267 C3* A B2060 -5.853 0.079 17.187 1.00 0.00 C ATOM 44268 O3* A B2060 -6.512 -0.043 15.589 1.00 0.00 O ATOM 44269 C2* A B2060 -6.229 -1.045 18.149 1.00 0.00 C ATOM 44270 O2* A B2060 -5.923 -2.311 17.592 1.00 0.00 O ATOM 44271 C1* A B2060 -5.241 -0.815 19.291 1.00 0.00 C ATOM 44272 N9 A B2060 -5.881 0.168 20.654 1.00 0.00 N ATOM 44273 C8 A B2060 -5.438 0.211 21.955 1.00 0.00 C ATOM 44274 N7 A B2060 -6.218 0.867 22.759 1.00 0.00 N ATOM 44275 C5 A B2060 -7.253 1.293 21.939 1.00 0.00 C ATOM 44276 C6 A B2060 -8.413 2.047 22.195 1.00 0.00 C ATOM 44277 N6 A B2060 -8.731 2.528 23.405 1.00 0.00 N ATOM 44278 N1 A B2060 -9.232 2.292 21.158 1.00 0.00 N ATOM 44279 C2 A B2060 -8.910 1.814 19.957 1.00 0.00 C ATOM 44280 N3 A B2060 -7.864 1.101 19.601 1.00 0.00 N ATOM 44281 C4 A B2060 -7.058 0.871 20.659 1.00 0.00 C ATOM 44282 P G B2061 -8.042 -0.428 14.403 1.00 0.00 P ATOM 44283 O1P G B2061 -9.186 0.504 14.531 1.00 0.00 O ATOM 44284 O2P G B2061 -8.364 -1.866 14.523 1.00 0.00 O ATOM 44285 O5* G B2061 -7.555 -0.219 12.580 1.00 0.00 O ATOM 44286 C5* G B2061 -8.068 -0.703 11.256 1.00 0.00 C ATOM 44287 C4* G B2061 -9.663 -1.088 10.938 1.00 0.00 C ATOM 44288 O4* G B2061 -10.361 -1.771 12.018 1.00 0.00 O ATOM 44289 C3* G B2061 -10.667 -0.041 10.461 1.00 0.00 C ATOM 44290 O3* G B2061 -10.412 -0.100 8.833 1.00 0.00 O ATOM 44291 C2* G B2061 -11.996 -0.772 10.619 1.00 0.00 C ATOM 44292 O2* G B2061 -12.178 -1.715 9.571 1.00 0.00 O ATOM 44293 C1* G B2061 -11.757 -1.569 11.896 1.00 0.00 C ATOM 44294 N9 G B2061 -12.317 -0.821 13.315 1.00 0.00 N ATOM 44295 C8 G B2061 -11.651 -0.611 14.504 1.00 0.00 C ATOM 44296 N7 G B2061 -12.414 -0.143 15.462 1.00 0.00 N ATOM 44297 C5 G B2061 -13.670 -0.028 14.860 1.00 0.00 C ATOM 44298 C6 G B2061 -14.900 0.429 15.403 1.00 0.00 C ATOM 44299 O6 G B2061 -15.143 0.831 16.534 1.00 0.00 O ATOM 44300 N1 G B2061 -15.927 0.374 14.447 1.00 0.00 N ATOM 44301 C2 G B2061 -15.779 -0.058 13.140 1.00 0.00 C ATOM 44302 N2 G B2061 -16.879 -0.029 12.390 1.00 0.00 N ATOM 44303 N3 G B2061 -14.622 -0.484 12.639 1.00 0.00 N ATOM 44304 C4 G B2061 -13.619 -0.442 13.551 1.00 0.00 C ATOM 44305 P A B2062 -10.920 1.254 7.626 1.00 0.00 P ATOM 44306 O1P A B2062 -9.700 1.965 7.189 1.00 0.00 O ATOM 44307 O2P A B2062 -11.810 2.004 8.539 1.00 0.00 O ATOM 44308 O5* A B2062 -11.994 1.074 6.068 1.00 0.00 O ATOM 44309 C5* A B2062 -12.520 2.326 5.307 1.00 0.00 C ATOM 44310 C4* A B2062 -13.231 2.003 3.840 1.00 0.00 C ATOM 44311 O4* A B2062 -13.472 0.592 4.108 1.00 0.00 O ATOM 44312 C3* A B2062 -14.353 2.390 2.874 1.00 0.00 C ATOM 44313 O3* A B2062 -14.805 3.966 2.310 1.00 0.00 O ATOM 44314 C2* A B2062 -14.501 1.124 2.031 1.00 0.00 C ATOM 44315 O2* A B2062 -13.450 1.022 1.088 1.00 0.00 O ATOM 44316 C1* A B2062 -14.268 0.034 3.075 1.00 0.00 C ATOM 44317 N9 A B2062 -15.684 -0.596 3.771 1.00 0.00 N ATOM 44318 C8 A B2062 -15.953 -0.820 5.097 1.00 0.00 C ATOM 44319 N7 A B2062 -17.068 -1.453 5.307 1.00 0.00 N ATOM 44320 C5 A B2062 -17.580 -1.662 4.037 1.00 0.00 C ATOM 44321 C6 A B2062 -18.752 -2.285 3.578 1.00 0.00 C ATOM 44322 N6 A B2062 -19.661 -2.835 4.392 1.00 0.00 N ATOM 44323 N1 A B2062 -18.952 -2.319 2.246 1.00 0.00 N ATOM 44324 C2 A B2062 -18.044 -1.769 1.443 1.00 0.00 C ATOM 44325 N3 A B2062 -16.922 -1.166 1.755 1.00 0.00 N ATOM 44326 C4 A B2062 -16.743 -1.143 3.093 1.00 0.00 C ATOM 44327 P C B2063 -15.626 5.157 0.967 1.00 0.00 P ATOM 44328 O1P C B2063 -17.063 5.328 0.652 1.00 0.00 O ATOM 44329 O2P C B2063 -14.722 5.036 -0.198 1.00 0.00 O ATOM 44330 O5* C B2063 -15.134 6.349 1.915 1.00 0.00 O ATOM 44331 C5* C B2063 -15.804 7.620 1.841 1.00 0.00 C ATOM 44332 C4* C B2063 -15.263 8.554 2.903 1.00 0.00 C ATOM 44333 O4* C B2063 -15.648 8.052 4.214 1.00 0.00 O ATOM 44334 C3* C B2063 -13.737 8.661 2.984 1.00 0.00 C ATOM 44335 O3* C B2063 -13.241 9.582 2.065 1.00 0.00 O ATOM 44336 C2* C B2063 -13.524 9.094 4.431 1.00 0.00 C ATOM 44337 O2* C B2063 -13.826 10.470 4.594 1.00 0.00 O ATOM 44338 C1* C B2063 -14.616 8.312 5.152 1.00 0.00 C ATOM 44339 N1 C B2063 -14.153 7.005 5.699 1.00 0.00 N ATOM 44340 C2 C B2063 -13.347 7.025 6.835 1.00 0.00 C ATOM 44341 O2 C B2063 -13.057 8.115 7.339 1.00 0.00 O ATOM 44342 N3 C B2063 -12.917 5.846 7.350 1.00 0.00 N ATOM 44343 C4 C B2063 -13.257 4.685 6.776 1.00 0.00 C ATOM 44344 N4 C B2063 -12.811 3.560 7.314 1.00 0.00 N ATOM 44345 C5 C B2063 -14.081 4.642 5.604 1.00 0.00 C ATOM 44346 C6 C B2063 -14.503 5.832 5.108 1.00 0.00 C ATOM 44347 P C B2064 -11.782 9.301 1.382 1.00 0.00 P ATOM 44348 O1P C B2064 -11.599 10.168 0.197 1.00 0.00 O ATOM 44349 O2P C B2064 -11.618 7.850 1.152 1.00 0.00 O ATOM 44350 O5* C B2064 -10.806 9.779 2.556 1.00 0.00 O ATOM 44351 C5* C B2064 -10.867 11.145 3.005 1.00 0.00 C ATOM 44352 C4* C B2064 -9.952 11.342 4.199 1.00 0.00 C ATOM 44353 O4* C B2064 -10.489 10.601 5.331 1.00 0.00 O ATOM 44354 C3* C B2064 -8.531 10.802 4.042 1.00 0.00 C ATOM 44355 O3* C B2064 -7.704 11.713 3.391 1.00 0.00 O ATOM 44356 C2* C B2064 -8.117 10.564 5.493 1.00 0.00 C ATOM 44357 O2* C B2064 -7.798 11.789 6.130 1.00 0.00 O ATOM 44358 C1* C B2064 -9.427 10.076 6.110 1.00 0.00 C ATOM 44359 N1 C B2064 -9.560 8.591 6.129 1.00 0.00 N ATOM 44360 C2 C B2064 -8.800 7.883 7.059 1.00 0.00 C ATOM 44361 O2 C B2064 -8.056 8.510 7.821 1.00 0.00 O ATOM 44362 N3 C B2064 -8.908 6.532 7.094 1.00 0.00 N ATOM 44363 C4 C B2064 -9.725 5.890 6.250 1.00 0.00 C ATOM 44364 N4 C B2064 -9.795 4.570 6.325 1.00 0.00 N ATOM 44365 C5 C B2064 -10.513 6.598 5.286 1.00 0.00 C ATOM 44366 C6 C B2064 -10.392 7.950 5.270 1.00 0.00 C ATOM 44367 P C B2065 -6.523 11.145 2.416 1.00 0.00 P ATOM 44368 O1P C B2065 -6.012 12.228 1.548 1.00 0.00 O ATOM 44369 O2P C B2065 -7.006 9.933 1.716 1.00 0.00 O ATOM 44370 O5* C B2065 -5.412 10.742 3.494 1.00 0.00 O ATOM 44371 C5* C B2065 -4.870 11.764 4.352 1.00 0.00 C ATOM 44372 C4* C B2065 -3.936 11.142 5.369 1.00 0.00 C ATOM 44373 O4* C B2065 -4.715 10.319 6.285 1.00 0.00 O ATOM 44374 C3* C B2065 -2.889 10.177 4.809 1.00 0.00 C ATOM 44375 O3* C B2065 -1.764 10.855 4.346 1.00 0.00 O ATOM 44376 C2* C B2065 -2.589 9.298 6.019 1.00 0.00 C ATOM 44377 O2* C B2065 -1.755 9.978 6.944 1.00 0.00 O ATOM 44378 C1* C B2065 -3.964 9.179 6.668 1.00 0.00 C ATOM 44379 N1 C B2065 -4.721 7.967 6.241 1.00 0.00 N ATOM 44380 C2 C B2065 -4.322 6.740 6.754 1.00 0.00 C ATOM 44381 O2 C B2065 -3.363 6.701 7.538 1.00 0.00 O ATOM 44382 N3 C B2065 -4.999 5.623 6.381 1.00 0.00 N ATOM 44383 C4 C B2065 -6.031 5.703 5.533 1.00 0.00 C ATOM 44384 N4 C B2065 -6.658 4.586 5.199 1.00 0.00 N ATOM 44385 C5 C B2065 -6.458 6.959 4.992 1.00 0.00 C ATOM 44386 C6 C B2065 -5.769 8.059 5.380 1.00 0.00 C ATOM 44387 P C B2066 -0.965 10.258 3.054 1.00 0.00 P ATOM 44388 O1P C B2066 -0.052 11.284 2.496 1.00 0.00 O ATOM 44389 O2P C B2066 -1.933 9.674 2.103 1.00 0.00 O ATOM 44390 O5* C B2066 -0.110 9.093 3.743 1.00 0.00 O ATOM 44391 C5* C B2066 0.836 9.436 4.772 1.00 0.00 C ATOM 44392 C4* C B2066 1.436 8.179 5.367 1.00 0.00 C ATOM 44393 O4* C B2066 0.398 7.463 6.098 1.00 0.00 O ATOM 44394 C3* C B2066 1.952 7.148 4.362 1.00 0.00 C ATOM 44395 O3* C B2066 3.249 7.444 3.949 1.00 0.00 O ATOM 44396 C2* C B2066 1.872 5.851 5.164 1.00 0.00 C ATOM 44397 O2* C B2066 2.935 5.769 6.097 1.00 0.00 O ATOM 44398 C1* C B2066 0.592 6.063 5.966 1.00 0.00 C ATOM 44399 N1 C B2066 -0.621 5.490 5.319 1.00 0.00 N ATOM 44400 C2 C B2066 -0.776 4.108 5.342 1.00 0.00 C ATOM 44401 O2 C B2066 0.087 3.417 5.896 1.00 0.00 O ATOM 44402 N3 C B2066 -1.877 3.562 4.758 1.00 0.00 N ATOM 44403 C4 C B2066 -2.792 4.344 4.171 1.00 0.00 C ATOM 44404 N4 C B2066 -3.846 3.765 3.614 1.00 0.00 N ATOM 44405 C5 C B2066 -2.649 5.768 4.133 1.00 0.00 C ATOM 44406 C6 C B2066 -1.545 6.291 4.721 1.00 0.00 C ATOM 44407 P G B2067 3.688 7.087 2.418 1.00 0.00 P ATOM 44408 O1P G B2067 4.940 7.794 2.063 1.00 0.00 O ATOM 44409 O2P G B2067 2.540 7.313 1.512 1.00 0.00 O ATOM 44410 O5* G B2067 3.972 5.515 2.548 1.00 0.00 O ATOM 44411 C5* G B2067 4.995 5.065 3.453 1.00 0.00 C ATOM 44412 C4* G B2067 5.006 3.552 3.510 1.00 0.00 C ATOM 44413 O4* G B2067 3.777 3.091 4.145 1.00 0.00 O ATOM 44414 C3* G B2067 5.010 2.833 2.160 1.00 0.00 C ATOM 44415 O3* G B2067 6.300 2.718 1.643 1.00 0.00 O ATOM 44416 C2* G B2067 4.397 1.481 2.512 1.00 0.00 C ATOM 44417 O2* G B2067 5.341 0.657 3.177 1.00 0.00 O ATOM 44418 C1* G B2067 3.349 1.879 3.546 1.00 0.00 C ATOM 44419 N9 G B2067 1.995 2.103 2.972 1.00 0.00 N ATOM 44420 C8 G B2067 1.328 3.290 2.750 1.00 0.00 C ATOM 44421 N7 G B2067 0.134 3.141 2.223 1.00 0.00 N ATOM 44422 C5 G B2067 0.003 1.757 2.088 1.00 0.00 C ATOM 44423 C6 G B2067 -1.074 0.990 1.574 1.00 0.00 C ATOM 44424 O6 G B2067 -2.151 1.377 1.129 1.00 0.00 O ATOM 44425 N1 G B2067 -0.791 -0.381 1.621 1.00 0.00 N ATOM 44426 C2 G B2067 0.380 -0.938 2.097 1.00 0.00 C ATOM 44427 N2 G B2067 0.459 -2.269 2.052 1.00 0.00 N ATOM 44428 N3 G B2067 1.392 -0.215 2.578 1.00 0.00 N ATOM 44429 C4 G B2067 1.131 1.117 2.542 1.00 0.00 C ATOM 44430 P U B2068 8.075 2.302 2.401 1.00 0.00 P ATOM 44431 O1P U B2068 7.841 1.794 3.770 1.00 0.00 O ATOM 44432 O2P U B2068 8.789 3.596 2.308 1.00 0.00 O ATOM 44433 O5* U B2068 9.395 1.079 1.587 1.00 0.00 O ATOM 44434 C5* U B2068 10.650 -0.025 1.639 1.00 0.00 C ATOM 44435 C4* U B2068 10.253 -1.519 2.677 1.00 0.00 C ATOM 44436 O4* U B2068 9.147 -0.576 2.810 1.00 0.00 O ATOM 44437 C3* U B2068 9.578 -2.815 2.226 1.00 0.00 C ATOM 44438 O3* U B2068 9.997 -4.548 2.232 1.00 0.00 O ATOM 44439 C2* U B2068 8.260 -2.770 3.001 1.00 0.00 C ATOM 44440 O2* U B2068 8.460 -3.110 4.358 1.00 0.00 O ATOM 44441 C1* U B2068 7.928 -1.283 2.960 1.00 0.00 C ATOM 44442 N1 U B2068 6.885 -0.823 1.691 1.00 0.00 N ATOM 44443 C2 U B2068 5.540 -0.825 1.957 1.00 0.00 C ATOM 44444 O2 U B2068 5.070 -1.235 3.008 1.00 0.00 O ATOM 44445 N3 U B2068 4.729 -0.341 0.948 1.00 0.00 N ATOM 44446 C4 U B2068 5.153 0.142 -0.274 1.00 0.00 C ATOM 44447 O4 U B2068 4.331 0.557 -1.101 1.00 0.00 O ATOM 44448 C5 U B2068 6.580 0.105 -0.461 1.00 0.00 C ATOM 44449 C6 U B2068 7.386 -0.365 0.504 1.00 0.00 C HETATM44450 P 7MG B2069 9.360 -6.601 0.901 1.00 0.00 P HETATM44451 O1P 7MG B2069 8.898 -6.845 2.288 1.00 0.00 O HETATM44452 O2P 7MG B2069 9.580 -5.183 0.537 1.00 0.00 O HETATM44453 O5* 7MG B2069 8.348 -7.278 -0.136 1.00 0.00 O HETATM44454 C5* 7MG B2069 8.450 -8.690 -0.390 1.00 0.00 C HETATM44455 C4* 7MG B2069 7.324 -9.136 -1.301 1.00 0.00 C HETATM44456 O4* 7MG B2069 6.063 -9.022 -0.583 1.00 0.00 O HETATM44457 C3* 7MG B2069 7.111 -8.289 -2.558 1.00 0.00 C HETATM44458 O3* 7MG B2069 7.963 -8.684 -3.590 1.00 0.00 O HETATM44459 C2* 7MG B2069 5.642 -8.557 -2.875 1.00 0.00 C HETATM44460 O2* 7MG B2069 5.475 -9.835 -3.464 1.00 0.00 O HETATM44461 C1* 7MG B2069 5.032 -8.630 -1.479 1.00 0.00 C HETATM44462 N9 7MG B2069 4.478 -7.332 -0.998 1.00 0.00 N HETATM44463 C8 7MG B2069 4.985 -6.461 -0.060 1.00 0.00 C HETATM44464 N7 7MG B2069 4.243 -5.396 0.136 1.00 0.00 N HETATM44465 C5 7MG B2069 3.171 -5.576 -0.737 1.00 0.00 C HETATM44466 C6 7MG B2069 2.042 -4.751 -0.973 1.00 0.00 C HETATM44467 O6 7MG B2069 1.749 -3.674 -0.459 1.00 0.00 O HETATM44468 N1 7MG B2069 1.196 -5.311 -1.942 1.00 0.00 N HETATM44469 C2 7MG B2069 1.440 -6.529 -2.574 1.00 0.00 C HETATM44470 N2 7MG B2069 0.487 -6.868 -3.486 1.00 0.00 N HETATM44471 N3 7MG B2069 2.475 -7.280 -2.370 1.00 0.00 N HETATM44472 C4 7MG B2069 3.304 -6.753 -1.432 1.00 0.00 C HETATM44473 CM7 7MG B2069 4.464 -4.297 1.023 1.00 0.00 C ATOM 44474 P A B2070 8.523 -7.547 -4.622 1.00 0.00 P ATOM 44475 O1P A B2070 9.670 -8.079 -5.392 1.00 0.00 O ATOM 44476 O2P A B2070 8.770 -6.292 -3.881 1.00 0.00 O ATOM 44477 O5* A B2070 7.256 -7.369 -5.584 1.00 0.00 O ATOM 44478 C5* A B2070 6.785 -8.505 -6.335 1.00 0.00 C ATOM 44479 C4* A B2070 5.518 -8.142 -7.079 1.00 0.00 C ATOM 44480 O4* A B2070 4.449 -7.925 -6.109 1.00 0.00 O ATOM 44481 C3* A B2070 5.557 -6.843 -7.878 1.00 0.00 C ATOM 44482 O3* A B2070 6.115 -7.037 -9.139 1.00 0.00 O ATOM 44483 C2* A B2070 4.082 -6.456 -7.942 1.00 0.00 C ATOM 44484 O2* A B2070 3.394 -7.251 -8.892 1.00 0.00 O ATOM 44485 C1* A B2070 3.593 -6.888 -6.561 1.00 0.00 C ATOM 44486 N9 A B2070 3.614 -5.797 -5.549 1.00 0.00 N ATOM 44487 C8 A B2070 4.486 -5.606 -4.500 1.00 0.00 C ATOM 44488 N7 A B2070 4.236 -4.547 -3.792 1.00 0.00 N ATOM 44489 C5 A B2070 3.124 -3.992 -4.406 1.00 0.00 C ATOM 44490 C6 A B2070 2.367 -2.841 -4.131 1.00 0.00 C ATOM 44491 N6 A B2070 2.630 -2.010 -3.115 1.00 0.00 N ATOM 44492 N1 A B2070 1.324 -2.578 -4.941 1.00 0.00 N ATOM 44493 C2 A B2070 1.069 -3.407 -5.951 1.00 0.00 C ATOM 44494 N3 A B2070 1.703 -4.505 -6.306 1.00 0.00 N ATOM 44495 C4 A B2070 2.742 -4.746 -5.476 1.00 0.00 C ATOM 44496 P A B2071 6.905 -5.183 -9.226 1.00 0.00 P ATOM 44497 O1P A B2071 6.650 -5.531 -10.643 1.00 0.00 O ATOM 44498 O2P A B2071 8.326 -5.180 -8.810 1.00 0.00 O ATOM 44499 O5* A B2071 6.239 -3.766 -8.889 1.00 0.00 O ATOM 44500 C5* A B2071 4.831 -3.580 -9.130 1.00 0.00 C ATOM 44501 C4* A B2071 4.394 -2.221 -8.626 1.00 0.00 C ATOM 44502 O4* A B2071 4.481 -2.209 -7.171 1.00 0.00 O ATOM 44503 C3* A B2071 5.262 -1.038 -9.057 1.00 0.00 C ATOM 44504 O3* A B2071 4.898 -0.572 -10.319 1.00 0.00 O ATOM 44505 C2* A B2071 4.989 -0.021 -7.952 1.00 0.00 C ATOM 44506 O2* A B2071 3.721 0.586 -8.128 1.00 0.00 O ATOM 44507 C1* A B2071 4.882 -0.923 -6.725 1.00 0.00 C ATOM 44508 N9 A B2071 6.161 -1.074 -5.979 1.00 0.00 N ATOM 44509 C8 A B2071 7.015 -2.152 -5.929 1.00 0.00 C ATOM 44510 N7 A B2071 8.058 -1.965 -5.180 1.00 0.00 N ATOM 44511 C5 A B2071 7.892 -0.675 -4.692 1.00 0.00 C ATOM 44512 C6 A B2071 8.668 0.117 -3.834 1.00 0.00 C ATOM 44513 N6 A B2071 9.821 -0.292 -3.288 1.00 0.00 N ATOM 44514 N1 A B2071 8.216 1.355 -3.554 1.00 0.00 N ATOM 44515 C2 A B2071 7.070 1.757 -4.099 1.00 0.00 C ATOM 44516 N3 A B2071 6.263 1.107 -4.911 1.00 0.00 N ATOM 44517 C4 A B2071 6.740 -0.128 -5.175 1.00 0.00 C ATOM 44518 P C B2072 6.062 0.023 -11.298 1.00 0.00 P ATOM 44519 O1P C B2072 5.560 0.119 -12.689 1.00 0.00 O ATOM 44520 O2P C B2072 7.307 -0.754 -11.116 1.00 0.00 O ATOM 44521 O5* C B2072 6.247 1.492 -10.688 1.00 0.00 O ATOM 44522 C5* C B2072 5.123 2.392 -10.680 1.00 0.00 C ATOM 44523 C4* C B2072 5.483 3.668 -9.950 1.00 0.00 C ATOM 44524 O4* C B2072 5.672 3.363 -8.538 1.00 0.00 O ATOM 44525 C3* C B2072 6.802 4.322 -10.365 1.00 0.00 C ATOM 44526 O3* C B2072 6.639 5.133 -11.485 1.00 0.00 O ATOM 44527 C2* C B2072 7.173 5.112 -9.111 1.00 0.00 C ATOM 44528 O2* C B2072 6.390 6.289 -9.009 1.00 0.00 O ATOM 44529 C1* C B2072 6.709 4.174 -8.006 1.00 0.00 C ATOM 44530 N1 C B2072 7.777 3.273 -7.493 1.00 0.00 N ATOM 44531 C2 C B2072 8.759 3.830 -6.677 1.00 0.00 C ATOM 44532 O2 C B2072 8.701 5.035 -6.411 1.00 0.00 O ATOM 44533 N3 C B2072 9.744 3.025 -6.200 1.00 0.00 N ATOM 44534 C4 C B2072 9.773 1.723 -6.511 1.00 0.00 C ATOM 44535 N4 C B2072 10.755 0.980 -6.022 1.00 0.00 N ATOM 44536 C5 C B2072 8.774 1.132 -7.351 1.00 0.00 C ATOM 44537 C6 C B2072 7.797 1.952 -7.817 1.00 0.00 C ATOM 44538 P C B2073 7.866 5.247 -12.556 1.00 0.00 P ATOM 44539 O1P C B2073 7.386 5.835 -13.827 1.00 0.00 O ATOM 44540 O2P C B2073 8.543 3.935 -12.669 1.00 0.00 O ATOM 44541 O5* C B2073 8.824 6.287 -11.806 1.00 0.00 O ATOM 44542 C5* C B2073 8.328 7.605 -11.511 1.00 0.00 C ATOM 44543 C4* C B2073 9.348 8.374 -10.695 1.00 0.00 C ATOM 44544 O4* C B2073 9.457 7.758 -9.376 1.00 0.00 O ATOM 44545 C3* C B2073 10.782 8.352 -11.228 1.00 0.00 C ATOM 44546 O3* C B2073 10.978 9.329 -12.198 1.00 0.00 O ATOM 44547 C2* C B2073 11.598 8.606 -9.962 1.00 0.00 C ATOM 44548 O2* C B2073 11.541 9.974 -9.594 1.00 0.00 O ATOM 44549 C1* C B2073 10.799 7.834 -8.920 1.00 0.00 C ATOM 44550 N1 C B2073 11.288 6.443 -8.699 1.00 0.00 N ATOM 44551 C2 C B2073 12.470 6.276 -7.985 1.00 0.00 C ATOM 44552 O2 C B2073 13.059 7.280 -7.566 1.00 0.00 O ATOM 44553 N3 C B2073 12.932 5.018 -7.774 1.00 0.00 N ATOM 44554 C4 C B2073 12.263 3.957 -8.244 1.00 0.00 C ATOM 44555 N4 C B2073 12.756 2.751 -8.009 1.00 0.00 N ATOM 44556 C5 C B2073 11.044 4.106 -8.981 1.00 0.00 C ATOM 44557 C6 C B2073 10.599 5.373 -9.182 1.00 0.00 C ATOM 44558 P U B2074 12.006 9.018 -13.430 1.00 0.00 P ATOM 44559 O1P U B2074 11.805 9.992 -14.525 1.00 0.00 O ATOM 44560 O2P U B2074 11.901 7.592 -13.810 1.00 0.00 O ATOM 44561 O5* U B2074 13.415 9.287 -12.718 1.00 0.00 O ATOM 44562 C5* U B2074 13.691 10.596 -12.188 1.00 0.00 C ATOM 44563 C4* U B2074 15.018 10.592 -11.453 1.00 0.00 C ATOM 44564 O4* U B2074 14.891 9.770 -10.258 1.00 0.00 O ATOM 44565 C3* U B2074 16.191 9.963 -12.206 1.00 0.00 C ATOM 44566 O3* U B2074 16.791 10.878 -13.072 1.00 0.00 O ATOM 44567 C2* U B2074 17.112 9.540 -11.068 1.00 0.00 C ATOM 44568 O2* U B2074 17.795 10.659 -10.529 1.00 0.00 O ATOM 44569 C1* U B2074 16.108 9.084 -10.013 1.00 0.00 C ATOM 44570 N1 U B2074 15.826 7.621 -10.045 1.00 0.00 N ATOM 44571 C2 U B2074 16.800 6.786 -9.558 1.00 0.00 C ATOM 44572 O2 U B2074 17.860 7.192 -9.108 1.00 0.00 O ATOM 44573 N3 U B2074 16.504 5.438 -9.603 1.00 0.00 N ATOM 44574 C4 U B2074 15.343 4.870 -10.087 1.00 0.00 C ATOM 44575 O4 U B2074 15.189 3.647 -10.078 1.00 0.00 O ATOM 44576 C5 U B2074 14.381 5.829 -10.579 1.00 0.00 C ATOM 44577 C6 U B2074 14.642 7.143 -10.546 1.00 0.00 C ATOM 44578 P U B2075 17.418 10.333 -14.478 1.00 0.00 P ATOM 44579 O1P U B2075 17.668 11.464 -15.399 1.00 0.00 O ATOM 44580 O2P U B2075 16.566 9.246 -15.008 1.00 0.00 O ATOM 44581 O5* U B2075 18.811 9.731 -13.971 1.00 0.00 O ATOM 44582 C5* U B2075 19.760 10.607 -13.334 1.00 0.00 C ATOM 44583 C4* U B2075 20.945 9.809 -12.826 1.00 0.00 C ATOM 44584 O4* U B2075 20.501 8.952 -11.734 1.00 0.00 O ATOM 44585 C3* U B2075 21.570 8.835 -13.826 1.00 0.00 C ATOM 44586 O3* U B2075 22.489 9.474 -14.656 1.00 0.00 O ATOM 44587 C2* U B2075 22.221 7.806 -12.907 1.00 0.00 C ATOM 44588 O2* U B2075 23.421 8.317 -12.349 1.00 0.00 O ATOM 44589 C1* U B2075 21.205 7.722 -11.771 1.00 0.00 C ATOM 44590 N1 U B2075 20.210 6.626 -11.940 1.00 0.00 N ATOM 44591 C2 U B2075 20.650 5.342 -11.717 1.00 0.00 C ATOM 44592 O2 U B2075 21.796 5.080 -11.395 1.00 0.00 O ATOM 44593 N3 U B2075 19.699 4.353 -11.882 1.00 0.00 N ATOM 44594 C4 U B2075 18.380 4.538 -12.242 1.00 0.00 C ATOM 44595 O4 U B2075 17.621 3.571 -12.359 1.00 0.00 O ATOM 44596 C5 U B2075 18.014 5.917 -12.453 1.00 0.00 C ATOM 44597 C6 U B2075 18.918 6.899 -12.301 1.00 0.00 C ATOM 44598 P U B2076 23.555 10.889 -14.188 1.00 0.00 P ATOM 44599 O1P U B2076 23.937 10.906 -12.759 1.00 0.00 O ATOM 44600 O2P U B2076 23.064 12.169 -14.739 1.00 0.00 O ATOM 44601 O5* U B2076 24.825 10.176 -15.284 1.00 0.00 O ATOM 44602 C5* U B2076 25.806 10.992 -15.923 1.00 0.00 C ATOM 44603 C4* U B2076 26.277 10.785 -17.480 1.00 0.00 C ATOM 44604 O4* U B2076 27.502 10.004 -17.571 1.00 0.00 O ATOM 44605 C3* U B2076 25.435 10.294 -18.656 1.00 0.00 C ATOM 44606 O3* U B2076 24.144 11.277 -18.931 1.00 0.00 O ATOM 44607 C2* U B2076 26.500 10.034 -19.724 1.00 0.00 C ATOM 44608 O2* U B2076 26.943 11.258 -20.295 1.00 0.00 O ATOM 44609 C1* U B2076 27.653 9.496 -18.887 1.00 0.00 C ATOM 44610 N1 U B2076 27.735 7.799 -18.799 1.00 0.00 N ATOM 44611 C2 U B2076 28.889 7.255 -18.285 1.00 0.00 C ATOM 44612 O2 U B2076 29.842 7.929 -17.934 1.00 0.00 O ATOM 44613 N3 U B2076 28.898 5.880 -18.188 1.00 0.00 N ATOM 44614 C4 U B2076 27.880 5.019 -18.549 1.00 0.00 C ATOM 44615 O4 U B2076 28.009 3.802 -18.414 1.00 0.00 O ATOM 44616 C5 U B2076 26.711 5.686 -19.077 1.00 0.00 C ATOM 44617 C6 U B2076 26.673 7.023 -19.186 1.00 0.00 C ATOM 44618 P A B2077 22.457 10.738 -17.983 1.00 0.00 P ATOM 44619 O1P A B2077 21.293 10.394 -17.132 1.00 0.00 O ATOM 44620 O2P A B2077 23.654 9.887 -17.810 1.00 0.00 O ATOM 44621 O5* A B2077 22.848 12.276 -17.766 1.00 0.00 O ATOM 44622 C5* A B2077 21.933 13.135 -17.065 1.00 0.00 C ATOM 44623 C4* A B2077 22.556 14.504 -16.865 1.00 0.00 C ATOM 44624 O4* A B2077 23.671 14.382 -15.937 1.00 0.00 O ATOM 44625 C3* A B2077 23.177 15.139 -18.109 1.00 0.00 C ATOM 44626 O3* A B2077 22.225 15.799 -18.877 1.00 0.00 O ATOM 44627 C2* A B2077 24.208 16.089 -17.501 1.00 0.00 C ATOM 44628 O2* A B2077 23.577 17.247 -16.978 1.00 0.00 O ATOM 44629 C1* A B2077 24.706 15.280 -16.307 1.00 0.00 C ATOM 44630 N9 A B2077 25.928 14.480 -16.594 1.00 0.00 N ATOM 44631 C8 A B2077 26.054 13.122 -16.779 1.00 0.00 C ATOM 44632 N7 A B2077 27.268 12.731 -17.015 1.00 0.00 N ATOM 44633 C5 A B2077 28.008 13.905 -16.988 1.00 0.00 C ATOM 44634 C6 A B2077 29.376 14.167 -17.169 1.00 0.00 C ATOM 44635 N6 A B2077 30.284 13.213 -17.426 1.00 0.00 N ATOM 44636 N1 A B2077 29.780 15.448 -17.075 1.00 0.00 N ATOM 44637 C2 A B2077 28.874 16.388 -16.819 1.00 0.00 C ATOM 44638 N3 A B2077 27.577 16.265 -16.633 1.00 0.00 N ATOM 44639 C4 A B2077 27.200 14.975 -16.732 1.00 0.00 C ATOM 44640 P C B2078 22.397 15.816 -20.501 1.00 0.00 P ATOM 44641 O1P C B2078 21.130 16.230 -21.145 1.00 0.00 O ATOM 44642 O2P C B2078 22.953 14.521 -20.948 1.00 0.00 O ATOM 44643 O5* C B2078 23.493 16.968 -20.673 1.00 0.00 O ATOM 44644 C5* C B2078 23.189 18.298 -20.216 1.00 0.00 C ATOM 44645 C4* C B2078 24.405 19.191 -20.365 1.00 0.00 C ATOM 44646 O4* C B2078 25.430 18.747 -19.428 1.00 0.00 O ATOM 44647 C3* C B2078 25.101 19.144 -21.725 1.00 0.00 C ATOM 44648 O3* C B2078 24.492 20.001 -22.639 1.00 0.00 O ATOM 44649 C2* C B2078 26.523 19.577 -21.369 1.00 0.00 C ATOM 44650 O2* C B2078 26.585 20.978 -21.159 1.00 0.00 O ATOM 44651 C1* C B2078 26.715 18.914 -20.008 1.00 0.00 C ATOM 44652 N1 C B2078 27.368 17.577 -20.081 1.00 0.00 N ATOM 44653 C2 C B2078 28.733 17.534 -20.346 1.00 0.00 C ATOM 44654 O2 C B2078 29.341 18.599 -20.511 1.00 0.00 O ATOM 44655 N3 C B2078 29.346 16.327 -20.414 1.00 0.00 N ATOM 44656 C4 C B2078 28.649 15.195 -20.231 1.00 0.00 C ATOM 44657 N4 C B2078 29.294 14.042 -20.309 1.00 0.00 N ATOM 44658 C5 C B2078 27.245 15.219 -19.956 1.00 0.00 C ATOM 44659 C6 C B2078 26.651 16.437 -19.890 1.00 0.00 C ATOM 44660 P U B2079 24.456 19.570 -24.214 1.00 0.00 P ATOM 44661 O1P U B2079 23.473 20.395 -24.948 1.00 0.00 O ATOM 44662 O2P U B2079 24.275 18.105 -24.318 1.00 0.00 O ATOM 44663 O5* U B2079 25.941 19.965 -24.667 1.00 0.00 O ATOM 44664 C5* U B2079 26.360 21.336 -24.558 1.00 0.00 C ATOM 44665 C4* U B2079 27.827 21.458 -24.919 1.00 0.00 C ATOM 44666 O4* U B2079 28.623 20.788 -23.898 1.00 0.00 O ATOM 44667 C3* U B2079 28.252 20.777 -26.221 1.00 0.00 C ATOM 44668 O3* U B2079 28.019 21.595 -27.325 1.00 0.00 O ATOM 44669 C2* U B2079 29.738 20.524 -25.980 1.00 0.00 C ATOM 44670 O2* U B2079 30.482 21.720 -26.129 1.00 0.00 O ATOM 44671 C1* U B2079 29.752 20.173 -24.495 1.00 0.00 C ATOM 44672 N1 U B2079 29.677 18.711 -24.223 1.00 0.00 N ATOM 44673 C2 U B2079 30.808 17.970 -24.466 1.00 0.00 C ATOM 44674 O2 U B2079 31.844 18.460 -24.884 1.00 0.00 O ATOM 44675 N3 U B2079 30.701 16.619 -24.204 1.00 0.00 N ATOM 44676 C4 U B2079 29.583 15.963 -23.732 1.00 0.00 C ATOM 44677 O4 U B2079 29.606 14.746 -23.534 1.00 0.00 O ATOM 44678 C5 U B2079 28.446 16.823 -23.507 1.00 0.00 C ATOM 44679 C6 U B2079 28.523 18.141 -23.756 1.00 0.00 C ATOM 44680 P A B2080 27.594 20.900 -28.741 1.00 0.00 P ATOM 44681 O1P A B2080 27.042 21.915 -29.665 1.00 0.00 O ATOM 44682 O2P A B2080 26.727 19.731 -28.475 1.00 0.00 O ATOM 44683 O5* A B2080 29.022 20.406 -29.271 1.00 0.00 O ATOM 44684 C5* A B2080 30.053 21.380 -29.508 1.00 0.00 C ATOM 44685 C4* A B2080 31.346 20.685 -29.883 1.00 0.00 C ATOM 44686 O4* A B2080 31.844 19.957 -28.722 1.00 0.00 O ATOM 44687 C3* A B2080 31.239 19.614 -30.970 1.00 0.00 C ATOM 44688 O3* A B2080 31.291 20.174 -32.245 1.00 0.00 O ATOM 44689 C2* A B2080 32.441 18.727 -30.665 1.00 0.00 C ATOM 44690 O2* A B2080 33.642 19.336 -31.105 1.00 0.00 O ATOM 44691 C1* A B2080 32.466 18.753 -29.139 1.00 0.00 C ATOM 44692 N9 A B2080 31.736 17.616 -28.510 1.00 0.00 N ATOM 44693 C8 A B2080 30.515 17.614 -27.874 1.00 0.00 C ATOM 44694 N7 A B2080 30.153 16.451 -27.430 1.00 0.00 N ATOM 44695 C5 A B2080 31.199 15.616 -27.789 1.00 0.00 C ATOM 44696 C6 A B2080 31.422 14.241 -27.603 1.00 0.00 C ATOM 44697 N6 A B2080 30.556 13.431 -26.975 1.00 0.00 N ATOM 44698 N1 A B2080 32.568 13.728 -28.085 1.00 0.00 N ATOM 44699 C2 A B2080 33.422 14.537 -28.708 1.00 0.00 C ATOM 44700 N3 A B2080 33.324 15.829 -28.941 1.00 0.00 N ATOM 44701 C4 A B2080 32.167 16.317 -28.448 1.00 0.00 C ATOM 44702 P U B2081 30.423 19.481 -33.442 1.00 0.00 P ATOM 44703 O1P U B2081 30.314 20.404 -34.595 1.00 0.00 O ATOM 44704 O2P U B2081 29.144 18.981 -32.895 1.00 0.00 O ATOM 44705 O5* U B2081 31.368 18.248 -33.824 1.00 0.00 O ATOM 44706 C5* U B2081 32.704 18.510 -34.293 1.00 0.00 C ATOM 44707 C4* U B2081 33.455 17.207 -34.474 1.00 0.00 C ATOM 44708 O4* U B2081 33.679 16.608 -33.167 1.00 0.00 O ATOM 44709 C3* U B2081 32.722 16.118 -35.258 1.00 0.00 C ATOM 44710 O3* U B2081 32.882 16.279 -36.633 1.00 0.00 O ATOM 44711 C2* U B2081 33.385 14.846 -34.732 1.00 0.00 C ATOM 44712 O2* U B2081 34.669 14.673 -35.309 1.00 0.00 O ATOM 44713 C1* U B2081 33.600 15.195 -33.264 1.00 0.00 C ATOM 44714 N1 U B2081 32.499 14.734 -32.373 1.00 0.00 N ATOM 44715 C2 U B2081 32.436 13.388 -32.101 1.00 0.00 C ATOM 44716 O2 U B2081 33.231 12.582 -32.554 1.00 0.00 O ATOM 44717 N3 U B2081 31.404 12.999 -31.271 1.00 0.00 N ATOM 44718 C4 U B2081 30.452 13.823 -30.704 1.00 0.00 C ATOM 44719 O4 U B2081 29.573 13.357 -29.976 1.00 0.00 O ATOM 44720 C5 U B2081 30.600 15.217 -31.048 1.00 0.00 C ATOM 44721 C6 U B2081 31.596 15.624 -31.854 1.00 0.00 C ATOM 44722 P A B2082 31.418 15.751 -37.620 1.00 0.00 P ATOM 44723 O1P A B2082 31.574 14.354 -38.088 1.00 0.00 O ATOM 44724 O2P A B2082 31.115 16.748 -38.671 1.00 0.00 O ATOM 44725 O5* A B2082 30.208 15.857 -36.249 1.00 0.00 O ATOM 44726 C5* A B2082 28.795 16.000 -35.952 1.00 0.00 C ATOM 44727 C4* A B2082 28.250 15.189 -34.655 1.00 0.00 C ATOM 44728 O4* A B2082 28.210 15.720 -33.293 1.00 0.00 O ATOM 44729 C3* A B2082 27.736 13.760 -34.508 1.00 0.00 C ATOM 44730 O3* A B2082 28.345 12.756 -35.471 1.00 0.00 O ATOM 44731 C2* A B2082 28.312 13.354 -33.150 1.00 0.00 C ATOM 44732 O2* A B2082 29.693 13.053 -33.262 1.00 0.00 O ATOM 44733 C1* A B2082 28.195 14.650 -32.365 1.00 0.00 C ATOM 44734 N9 A B2082 26.812 14.780 -31.435 1.00 0.00 N ATOM 44735 C8 A B2082 26.063 13.773 -30.876 1.00 0.00 C ATOM 44736 N7 A B2082 25.153 14.185 -30.045 1.00 0.00 N ATOM 44737 C5 A B2082 25.306 15.562 -30.045 1.00 0.00 C ATOM 44738 C6 A B2082 24.633 16.590 -29.360 1.00 0.00 C ATOM 44739 N6 A B2082 23.624 16.372 -28.502 1.00 0.00 N ATOM 44740 N1 A B2082 25.034 17.853 -29.592 1.00 0.00 N ATOM 44741 C2 A B2082 26.033 18.064 -30.444 1.00 0.00 C ATOM 44742 N3 A B2082 26.732 17.190 -31.138 1.00 0.00 N ATOM 44743 C4 A B2082 26.311 15.934 -30.890 1.00 0.00 C ATOM 44744 P G B2083 27.850 12.573 -37.173 1.00 0.00 P ATOM 44745 O1P G B2083 29.071 12.649 -38.006 1.00 0.00 O ATOM 44746 O2P G B2083 26.635 13.193 -37.750 1.00 0.00 O ATOM 44747 O5* G B2083 27.550 11.048 -36.793 1.00 0.00 O ATOM 44748 C5* G B2083 28.624 10.227 -36.299 1.00 0.00 C ATOM 44749 C4* G B2083 28.092 8.870 -35.885 1.00 0.00 C ATOM 44750 O4* G B2083 27.240 9.033 -34.716 1.00 0.00 O ATOM 44751 C3* G B2083 27.192 8.168 -36.903 1.00 0.00 C ATOM 44752 O3* G B2083 27.938 7.473 -37.852 1.00 0.00 O ATOM 44753 C2* G B2083 26.362 7.247 -36.015 1.00 0.00 C ATOM 44754 O2* G B2083 27.121 6.121 -35.611 1.00 0.00 O ATOM 44755 C1* G B2083 26.163 8.112 -34.775 1.00 0.00 C ATOM 44756 N9 G B2083 24.891 8.892 -34.790 1.00 0.00 N ATOM 44757 C8 G B2083 24.700 10.238 -35.002 1.00 0.00 C ATOM 44758 N7 G B2083 23.442 10.614 -34.948 1.00 0.00 N ATOM 44759 C5 G B2083 22.756 9.431 -34.678 1.00 0.00 C ATOM 44760 C6 G B2083 21.366 9.200 -34.508 1.00 0.00 C ATOM 44761 O6 G B2083 20.439 10.003 -34.557 1.00 0.00 O ATOM 44762 N1 G B2083 21.100 7.849 -34.251 1.00 0.00 N ATOM 44763 C2 G B2083 22.050 6.848 -34.169 1.00 0.00 C ATOM 44764 N2 G B2083 21.593 5.622 -33.915 1.00 0.00 N ATOM 44765 N3 G B2083 23.354 7.066 -34.330 1.00 0.00 N ATOM 44766 C4 G B2083 23.629 8.375 -34.581 1.00 0.00 C ATOM 44767 P C B2084 27.370 7.377 -39.380 1.00 0.00 P ATOM 44768 O1P C B2084 28.443 6.936 -40.298 1.00 0.00 O ATOM 44769 O2P C B2084 26.696 8.645 -39.737 1.00 0.00 O ATOM 44770 O5* C B2084 26.284 6.211 -39.221 1.00 0.00 O ATOM 44771 C5* C B2084 26.713 4.908 -38.789 1.00 0.00 C ATOM 44772 C4* C B2084 25.513 4.006 -38.587 1.00 0.00 C ATOM 44773 O4* C B2084 24.744 4.491 -37.451 1.00 0.00 O ATOM 44774 C3* C B2084 24.500 3.981 -39.735 1.00 0.00 C ATOM 44775 O3* C B2084 24.877 3.081 -40.730 1.00 0.00 O ATOM 44776 C2* C B2084 23.218 3.559 -39.019 1.00 0.00 C ATOM 44777 O2* C B2084 23.233 2.172 -38.735 1.00 0.00 O ATOM 44778 C1* C B2084 23.358 4.288 -37.685 1.00 0.00 C ATOM 44779 N1 C B2084 22.687 5.617 -37.657 1.00 0.00 N ATOM 44780 C2 C B2084 21.297 5.641 -37.578 1.00 0.00 C ATOM 44781 O2 C B2084 20.683 4.569 -37.536 1.00 0.00 O ATOM 44782 N3 C B2084 20.665 6.842 -37.552 1.00 0.00 N ATOM 44783 C4 C B2084 21.366 7.982 -37.599 1.00 0.00 C ATOM 44784 N4 C B2084 20.703 9.129 -37.570 1.00 0.00 N ATOM 44785 C5 C B2084 22.797 7.980 -37.678 1.00 0.00 C ATOM 44786 C6 C B2084 23.409 6.770 -37.705 1.00 0.00 C ATOM 44787 P U B2085 24.516 3.433 -42.282 1.00 0.00 P ATOM 44788 O1P U B2085 25.302 2.576 -43.199 1.00 0.00 O ATOM 44789 O2P U B2085 24.643 4.892 -42.499 1.00 0.00 O ATOM 44790 O5* U B2085 22.974 3.010 -42.335 1.00 0.00 O ATOM 44791 C5* U B2085 22.617 1.643 -42.061 1.00 0.00 C ATOM 44792 C4* U B2085 21.108 1.496 -42.040 1.00 0.00 C ATOM 44793 O4* U B2085 20.578 2.215 -40.888 1.00 0.00 O ATOM 44794 C3* U B2085 20.363 2.110 -43.228 1.00 0.00 C ATOM 44795 O3* U B2085 20.330 1.237 -44.315 1.00 0.00 O ATOM 44796 C2* U B2085 18.980 2.368 -42.638 1.00 0.00 C ATOM 44797 O2* U B2085 18.240 1.162 -42.539 1.00 0.00 O ATOM 44798 C1* U B2085 19.327 2.791 -41.212 1.00 0.00 C ATOM 44799 N1 U B2085 19.441 4.268 -41.039 1.00 0.00 N ATOM 44800 C2 U B2085 18.274 4.989 -41.032 1.00 0.00 C ATOM 44801 O2 U B2085 17.174 4.474 -41.156 1.00 0.00 O ATOM 44802 N3 U B2085 18.420 6.352 -40.868 1.00 0.00 N ATOM 44803 C4 U B2085 19.608 7.037 -40.719 1.00 0.00 C ATOM 44804 O4 U B2085 19.617 8.262 -40.581 1.00 0.00 O ATOM 44805 C5 U B2085 20.781 6.194 -40.745 1.00 0.00 C ATOM 44806 C6 U B2085 20.667 4.865 -40.900 1.00 0.00 C ATOM 44807 P U B2086 18.961 0.710 -45.434 1.00 0.00 P ATOM 44808 O1P U B2086 18.880 -0.746 -45.695 1.00 0.00 O ATOM 44809 O2P U B2086 19.237 1.559 -46.615 1.00 0.00 O ATOM 44810 O5* U B2086 17.474 1.260 -44.457 1.00 0.00 O ATOM 44811 C5* U B2086 16.599 2.285 -43.733 1.00 0.00 C ATOM 44812 C4* U B2086 17.087 3.838 -44.013 1.00 0.00 C ATOM 44813 O4* U B2086 16.732 5.183 -43.582 1.00 0.00 O ATOM 44814 C3* U B2086 17.967 4.064 -45.241 1.00 0.00 C ATOM 44815 O3* U B2086 17.418 2.688 -45.898 1.00 0.00 O ATOM 44816 C2* U B2086 17.310 5.284 -45.883 1.00 0.00 C ATOM 44817 O2* U B2086 16.116 4.920 -46.556 1.00 0.00 O ATOM 44818 C1* U B2086 16.899 6.093 -44.656 1.00 0.00 C ATOM 44819 N1 U B2086 18.029 7.293 -44.178 1.00 0.00 N ATOM 44820 C2 U B2086 17.536 8.554 -43.936 1.00 0.00 C ATOM 44821 O2 U B2086 16.350 8.826 -44.000 1.00 0.00 O ATOM 44822 N3 U B2086 18.481 9.506 -43.615 1.00 0.00 N ATOM 44823 C4 U B2086 19.845 9.309 -43.514 1.00 0.00 C ATOM 44824 O4 U B2086 20.592 10.242 -43.210 1.00 0.00 O ATOM 44825 C5 U B2086 20.264 7.955 -43.780 1.00 0.00 C ATOM 44826 C6 U B2086 19.365 7.007 -44.097 1.00 0.00 C ATOM 44827 P G B2087 16.505 2.484 -47.510 1.00 0.00 P ATOM 44828 O1P G B2087 16.396 1.255 -48.327 1.00 0.00 O ATOM 44829 O2P G B2087 17.458 3.503 -48.005 1.00 0.00 O ATOM 44830 O5* G B2087 15.056 3.141 -47.326 1.00 0.00 O ATOM 44831 C5* G B2087 14.012 2.368 -46.704 1.00 0.00 C ATOM 44832 C4* G B2087 12.775 3.222 -46.519 1.00 0.00 C ATOM 44833 O4* G B2087 13.056 4.251 -45.530 1.00 0.00 O ATOM 44834 C3* G B2087 12.319 4.009 -47.749 1.00 0.00 C ATOM 44835 O3* G B2087 11.529 3.229 -48.589 1.00 0.00 O ATOM 44836 C2* G B2087 11.545 5.165 -47.120 1.00 0.00 C ATOM 44837 O2* G B2087 10.270 4.733 -46.674 1.00 0.00 O ATOM 44838 C1* G B2087 12.379 5.449 -45.873 1.00 0.00 C ATOM 44839 N9 G B2087 13.399 6.518 -46.064 1.00 0.00 N ATOM 44840 C8 G B2087 14.766 6.401 -46.197 1.00 0.00 C ATOM 44841 N7 G B2087 15.385 7.548 -46.355 1.00 0.00 N ATOM 44842 C5 G B2087 14.354 8.487 -46.326 1.00 0.00 C ATOM 44843 C6 G B2087 14.406 9.899 -46.446 1.00 0.00 C ATOM 44844 O6 G B2087 15.384 10.624 -46.607 1.00 0.00 O ATOM 44845 N1 G B2087 13.125 10.465 -46.359 1.00 0.00 N ATOM 44846 C2 G B2087 11.952 9.759 -46.183 1.00 0.00 C ATOM 44847 N2 G B2087 10.834 10.483 -46.128 1.00 0.00 N ATOM 44848 N3 G B2087 11.906 8.432 -46.070 1.00 0.00 N ATOM 44849 C4 G B2087 13.140 7.869 -46.149 1.00 0.00 C ATOM 44850 P A B2088 11.617 3.477 -50.203 1.00 0.00 P ATOM 44851 O1P A B2088 11.011 2.342 -50.931 1.00 0.00 O ATOM 44852 O2P A B2088 13.012 3.808 -50.575 1.00 0.00 O ATOM 44853 O5* A B2088 10.694 4.775 -50.357 1.00 0.00 O ATOM 44854 C5* A B2088 9.311 4.700 -49.962 1.00 0.00 C ATOM 44855 C4* A B2088 8.665 6.064 -50.075 1.00 0.00 C ATOM 44856 O4* A B2088 9.243 6.946 -49.070 1.00 0.00 O ATOM 44857 C3* A B2088 8.894 6.806 -51.393 1.00 0.00 C ATOM 44858 O3* A B2088 7.983 6.407 -52.369 1.00 0.00 O ATOM 44859 C2* A B2088 8.714 8.262 -50.976 1.00 0.00 C ATOM 44860 O2* A B2088 7.339 8.572 -50.813 1.00 0.00 O ATOM 44861 C1* A B2088 9.337 8.264 -49.585 1.00 0.00 C ATOM 44862 N9 A B2088 10.773 8.662 -49.574 1.00 0.00 N ATOM 44863 C8 A B2088 11.890 7.876 -49.399 1.00 0.00 C ATOM 44864 N7 A B2088 13.009 8.533 -49.442 1.00 0.00 N ATOM 44865 C5 A B2088 12.619 9.846 -49.660 1.00 0.00 C ATOM 44866 C6 A B2088 13.345 11.037 -49.807 1.00 0.00 C ATOM 44867 N6 A B2088 14.683 11.098 -49.750 1.00 0.00 N ATOM 44868 N1 A B2088 12.647 12.168 -50.014 1.00 0.00 N ATOM 44869 C2 A B2088 11.318 12.100 -50.070 1.00 0.00 C ATOM 44870 N3 A B2088 10.533 11.050 -49.950 1.00 0.00 N ATOM 44871 C4 A B2088 11.259 9.932 -49.744 1.00 0.00 C ATOM 44872 P C B2089 8.472 6.367 -53.928 1.00 0.00 P ATOM 44873 O1P C B2089 7.513 5.586 -54.743 1.00 0.00 O ATOM 44874 O2P C B2089 9.881 5.922 -53.990 1.00 0.00 O ATOM 44875 O5* C B2089 8.372 7.917 -54.313 1.00 0.00 O ATOM 44876 C5* C B2089 7.097 8.577 -54.229 1.00 0.00 C ATOM 44877 C4* C B2089 7.259 10.058 -54.515 1.00 0.00 C ATOM 44878 O4* C B2089 8.016 10.666 -53.428 1.00 0.00 O ATOM 44879 C3* C B2089 8.064 10.411 -55.767 1.00 0.00 C ATOM 44880 O3* C B2089 7.266 10.383 -56.910 1.00 0.00 O ATOM 44881 C2* C B2089 8.573 11.810 -55.436 1.00 0.00 C ATOM 44882 O2* C B2089 7.540 12.770 -55.586 1.00 0.00 O ATOM 44883 C1* C B2089 8.853 11.691 -53.940 1.00 0.00 C ATOM 44884 N1 C B2089 10.264 11.333 -53.623 1.00 0.00 N ATOM 44885 C2 C B2089 11.232 12.324 -53.774 1.00 0.00 C ATOM 44886 O2 C B2089 10.886 13.444 -54.163 1.00 0.00 O ATOM 44887 N3 C B2089 12.525 12.019 -53.491 1.00 0.00 N ATOM 44888 C4 C B2089 12.862 10.790 -53.074 1.00 0.00 C ATOM 44889 N4 C B2089 14.135 10.544 -52.810 1.00 0.00 N ATOM 44890 C5 C B2089 11.879 9.760 -52.911 1.00 0.00 C ATOM 44891 C6 C B2089 10.595 10.085 -53.200 1.00 0.00 C ATOM 44892 P A B2090 7.937 9.906 -58.321 1.00 0.00 P ATOM 44893 O1P A B2090 6.879 9.593 -59.307 1.00 0.00 O ATOM 44894 O2P A B2090 8.914 8.827 -58.063 1.00 0.00 O ATOM 44895 O5* A B2090 8.704 11.241 -58.755 1.00 0.00 O ATOM 44896 C5* A B2090 7.946 12.444 -58.969 1.00 0.00 C ATOM 44897 C4* A B2090 8.883 13.605 -59.249 1.00 0.00 C ATOM 44898 O4* A B2090 9.636 13.903 -58.038 1.00 0.00 O ATOM 44899 C3* A B2090 9.961 13.352 -60.302 1.00 0.00 C ATOM 44900 O3* A B2090 9.479 13.567 -61.590 1.00 0.00 O ATOM 44901 C2* A B2090 11.041 14.355 -59.900 1.00 0.00 C ATOM 44902 O2* A B2090 10.677 15.668 -60.296 1.00 0.00 O ATOM 44903 C1* A B2090 10.951 14.311 -58.377 1.00 0.00 C ATOM 44904 N9 A B2090 11.905 13.356 -57.749 1.00 0.00 N ATOM 44905 C8 A B2090 11.656 12.127 -57.183 1.00 0.00 C ATOM 44906 N7 A B2090 12.714 11.537 -56.719 1.00 0.00 N ATOM 44907 C5 A B2090 13.741 12.427 -56.990 1.00 0.00 C ATOM 44908 C6 A B2090 15.124 12.385 -56.743 1.00 0.00 C ATOM 44909 N6 A B2090 15.734 11.357 -56.136 1.00 0.00 N ATOM 44910 N1 A B2090 15.860 13.438 -57.143 1.00 0.00 N ATOM 44911 C2 A B2090 15.246 14.456 -57.748 1.00 0.00 C ATOM 44912 N3 A B2090 13.969 14.607 -58.032 1.00 0.00 N ATOM 44913 C4 A B2090 13.257 13.537 -57.620 1.00 0.00 C ATOM 44914 P C B2091 10.055 12.642 -62.808 1.00 0.00 P ATOM 44915 O1P C B2091 9.178 12.762 -63.998 1.00 0.00 O ATOM 44916 O2P C B2091 10.288 11.268 -62.314 1.00 0.00 O ATOM 44917 O5* C B2091 11.454 13.362 -63.095 1.00 0.00 O ATOM 44918 C5* C B2091 11.460 14.742 -63.501 1.00 0.00 C ATOM 44919 C4* C B2091 12.884 15.250 -63.593 1.00 0.00 C ATOM 44920 O4* C B2091 13.456 15.299 -62.255 1.00 0.00 O ATOM 44921 C3* C B2091 13.858 14.367 -64.377 1.00 0.00 C ATOM 44922 O3* C B2091 13.787 14.620 -65.746 1.00 0.00 O ATOM 44923 C2* C B2091 15.204 14.760 -63.773 1.00 0.00 C ATOM 44924 O2* C B2091 15.631 16.016 -64.271 1.00 0.00 O ATOM 44925 C1* C B2091 14.834 14.965 -62.307 1.00 0.00 C ATOM 44926 N1 C B2091 15.046 13.757 -61.459 1.00 0.00 N ATOM 44927 C2 C B2091 16.357 13.417 -61.133 1.00 0.00 C ATOM 44928 O2 C B2091 17.279 14.124 -61.554 1.00 0.00 O ATOM 44929 N3 C B2091 16.572 12.319 -60.363 1.00 0.00 N ATOM 44930 C4 C B2091 15.545 11.578 -59.928 1.00 0.00 C ATOM 44931 N4 C B2091 15.808 10.519 -59.179 1.00 0.00 N ATOM 44932 C5 C B2091 14.190 11.913 -60.254 1.00 0.00 C ATOM 44933 C6 C B2091 13.996 13.012 -61.024 1.00 0.00 C ATOM 44934 P U B2092 13.891 13.404 -66.904 1.00 0.00 P ATOM 44935 O1P U B2092 13.452 13.748 -68.277 1.00 0.00 O ATOM 44936 O2P U B2092 13.312 12.172 -66.333 1.00 0.00 O ATOM 44937 O5* U B2092 15.490 13.326 -66.853 1.00 0.00 O ATOM 44938 C5* U B2092 16.261 14.464 -67.282 1.00 0.00 C ATOM 44939 C4* U B2092 17.734 14.217 -67.031 1.00 0.00 C ATOM 44940 O4* U B2092 17.967 14.185 -65.592 1.00 0.00 O ATOM 44941 C3* U B2092 18.278 12.876 -67.523 1.00 0.00 C ATOM 44942 O3* U B2092 18.624 12.930 -68.871 1.00 0.00 O ATOM 44943 C2* U B2092 19.486 12.667 -66.613 1.00 0.00 C ATOM 44944 O2* U B2092 20.570 13.486 -67.023 1.00 0.00 O ATOM 44945 C1* U B2092 18.978 13.234 -65.291 1.00 0.00 C ATOM 44946 N1 U B2092 18.390 12.207 -64.389 1.00 0.00 N ATOM 44947 C2 U B2092 19.261 11.358 -63.752 1.00 0.00 C ATOM 44948 O2 U B2092 20.472 11.418 -63.900 1.00 0.00 O ATOM 44949 N3 U B2092 18.682 10.421 -62.922 1.00 0.00 N ATOM 44950 C4 U B2092 17.331 10.265 -62.683 1.00 0.00 C ATOM 44951 O4 U B2092 16.928 9.387 -61.919 1.00 0.00 O ATOM 44952 C5 U B2092 16.492 11.199 -63.395 1.00 0.00 C ATOM 44953 C6 U B2092 17.034 12.122 -64.208 1.00 0.00 C ATOM 44954 P G B2093 17.163 11.511 -69.390 1.00 0.00 P ATOM 44955 O1P G B2093 16.314 12.676 -69.050 1.00 0.00 O ATOM 44956 O2P G B2093 16.861 10.260 -68.660 1.00 0.00 O ATOM 44957 O5* G B2093 17.107 11.245 -70.969 1.00 0.00 O ATOM 44958 C5* G B2093 15.903 10.710 -71.543 1.00 0.00 C ATOM 44959 C4* G B2093 16.242 9.687 -72.608 1.00 0.00 C ATOM 44960 O4* G B2093 15.915 8.359 -72.103 1.00 0.00 O ATOM 44961 C3* G B2093 15.449 9.792 -73.912 1.00 0.00 C ATOM 44962 O3* G B2093 16.014 10.727 -74.777 1.00 0.00 O ATOM 44963 C2* G B2093 15.528 8.366 -74.450 1.00 0.00 C ATOM 44964 O2* G B2093 16.803 8.111 -75.012 1.00 0.00 O ATOM 44965 C1* G B2093 15.436 7.547 -73.165 1.00 0.00 C ATOM 44966 N9 G B2093 14.051 7.115 -72.825 1.00 0.00 N ATOM 44967 C8 G B2093 13.206 7.593 -71.851 1.00 0.00 C ATOM 44968 N7 G B2093 12.039 6.993 -71.815 1.00 0.00 N ATOM 44969 C5 G B2093 12.119 6.051 -72.839 1.00 0.00 C ATOM 44970 C6 G B2093 11.164 5.102 -73.283 1.00 0.00 C ATOM 44971 O6 G B2093 10.031 4.893 -72.857 1.00 0.00 O ATOM 44972 N1 G B2093 11.657 4.343 -74.354 1.00 0.00 N ATOM 44973 C2 G B2093 12.909 4.486 -74.921 1.00 0.00 C ATOM 44974 N2 G B2093 13.189 3.664 -75.932 1.00 0.00 N ATOM 44975 N3 G B2093 13.804 5.377 -74.501 1.00 0.00 N ATOM 44976 C4 G B2093 13.343 6.118 -73.462 1.00 0.00 C ATOM 44977 P A B2094 15.025 11.594 -75.747 1.00 0.00 P ATOM 44978 O1P A B2094 15.751 12.758 -76.306 1.00 0.00 O ATOM 44979 O2P A B2094 13.772 11.904 -75.021 1.00 0.00 O ATOM 44980 O5* A B2094 14.732 10.531 -76.906 1.00 0.00 O ATOM 44981 C5* A B2094 15.832 10.024 -77.681 1.00 0.00 C ATOM 44982 C4* A B2094 15.345 8.946 -78.630 1.00 0.00 C ATOM 44983 O4* A B2094 14.927 7.788 -77.853 1.00 0.00 O ATOM 44984 C3* A B2094 14.108 9.298 -79.460 1.00 0.00 C ATOM 44985 O3* A B2094 14.449 10.011 -80.609 1.00 0.00 O ATOM 44986 C2* A B2094 13.530 7.921 -79.771 1.00 0.00 C ATOM 44987 O2* A B2094 14.276 7.279 -80.790 1.00 0.00 O ATOM 44988 C1* A B2094 13.811 7.169 -78.473 1.00 0.00 C ATOM 44989 N9 A B2094 12.678 7.195 -77.508 1.00 0.00 N ATOM 44990 C8 A B2094 12.547 7.911 -76.340 1.00 0.00 C ATOM 44991 N7 A B2094 11.425 7.710 -75.720 1.00 0.00 N ATOM 44992 C5 A B2094 10.756 6.797 -76.521 1.00 0.00 C ATOM 44993 C6 A B2094 9.501 6.181 -76.413 1.00 0.00 C ATOM 44994 N6 A B2094 8.655 6.399 -75.397 1.00 0.00 N ATOM 44995 N1 A B2094 9.143 5.325 -77.387 1.00 0.00 N ATOM 44996 C2 A B2094 9.988 5.111 -78.396 1.00 0.00 C ATOM 44997 N3 A B2094 11.179 5.627 -78.604 1.00 0.00 N ATOM 44998 C4 A B2094 11.512 6.480 -77.614 1.00 0.00 C ATOM 44999 P A B2095 13.416 11.147 -81.163 1.00 0.00 P ATOM 45000 O1P A B2095 14.098 12.025 -82.140 1.00 0.00 O ATOM 45001 O2P A B2095 12.778 11.832 -80.017 1.00 0.00 O ATOM 45002 O5* A B2095 12.340 10.233 -81.915 1.00 0.00 O ATOM 45003 C5* A B2095 12.771 9.406 -83.011 1.00 0.00 C ATOM 45004 C4* A B2095 11.626 8.540 -83.491 1.00 0.00 C ATOM 45005 O4* A B2095 11.305 7.568 -82.452 1.00 0.00 O ATOM 45006 C3* A B2095 10.301 9.264 -83.739 1.00 0.00 C ATOM 45007 O3* A B2095 10.262 9.833 -85.010 1.00 0.00 O ATOM 45008 C2* A B2095 9.283 8.137 -83.568 1.00 0.00 C ATOM 45009 O2* A B2095 9.269 7.295 -84.708 1.00 0.00 O ATOM 45010 C1* A B2095 9.905 7.332 -82.430 1.00 0.00 C ATOM 45011 N9 A B2095 9.395 7.709 -81.083 1.00 0.00 N ATOM 45012 C8 A B2095 10.022 8.430 -80.089 1.00 0.00 C ATOM 45013 N7 A B2095 9.302 8.588 -79.020 1.00 0.00 N ATOM 45014 C5 A B2095 8.115 7.932 -79.316 1.00 0.00 C ATOM 45015 C6 A B2095 6.932 7.741 -78.584 1.00 0.00 C ATOM 45016 N6 A B2095 6.746 8.213 -77.340 1.00 0.00 N ATOM 45017 N1 A B2095 5.945 7.042 -79.173 1.00 0.00 N ATOM 45018 C2 A B2095 6.136 6.576 -80.407 1.00 0.00 C ATOM 45019 N3 A B2095 7.192 6.694 -81.184 1.00 0.00 N ATOM 45020 C4 A B2095 8.164 7.398 -80.569 1.00 0.00 C ATOM 45021 P C B2096 9.454 11.240 -85.214 1.00 0.00 P ATOM 45022 O1P C B2096 9.828 11.862 -86.504 1.00 0.00 O ATOM 45023 O2P C B2096 9.632 12.086 -84.013 1.00 0.00 O ATOM 45024 O5* C B2096 7.946 10.711 -85.285 1.00 0.00 O ATOM 45025 C5* C B2096 7.578 9.796 -86.330 1.00 0.00 C ATOM 45026 C4* C B2096 6.147 9.330 -86.132 1.00 0.00 C ATOM 45027 O4* C B2096 6.080 8.509 -84.935 1.00 0.00 O ATOM 45028 C3* C B2096 5.118 10.436 -85.881 1.00 0.00 C ATOM 45029 O3* C B2096 4.664 10.993 -87.075 1.00 0.00 O ATOM 45030 C2* C B2096 4.023 9.684 -85.126 1.00 0.00 C ATOM 45031 O2* C B2096 3.251 8.892 -86.013 1.00 0.00 O ATOM 45032 C1* C B2096 4.844 8.719 -84.273 1.00 0.00 C ATOM 45033 N1 C B2096 5.136 9.236 -82.906 1.00 0.00 N ATOM 45034 C2 C B2096 4.098 9.249 -81.979 1.00 0.00 C ATOM 45035 O2 C B2096 2.985 8.835 -82.328 1.00 0.00 O ATOM 45036 N3 C B2096 4.343 9.715 -80.728 1.00 0.00 N ATOM 45037 C4 C B2096 5.563 10.153 -80.390 1.00 0.00 C ATOM 45038 N4 C B2096 5.752 10.598 -79.157 1.00 0.00 N ATOM 45039 C5 C B2096 6.646 10.149 -81.329 1.00 0.00 C ATOM 45040 C6 C B2096 6.378 9.679 -82.574 1.00 0.00 C ATOM 45041 P A B2097 4.281 12.579 -87.102 1.00 0.00 P ATOM 45042 O1P A B2097 4.183 13.057 -88.500 1.00 0.00 O ATOM 45043 O2P A B2097 5.218 13.327 -86.234 1.00 0.00 O ATOM 45044 O5* A B2097 2.829 12.551 -86.433 1.00 0.00 O ATOM 45045 C5* A B2097 1.782 11.798 -87.073 1.00 0.00 C ATOM 45046 C4* A B2097 0.536 11.806 -86.211 1.00 0.00 C ATOM 45047 O4* A B2097 0.798 11.044 -84.999 1.00 0.00 O ATOM 45048 C3* A B2097 0.092 13.176 -85.695 1.00 0.00 C ATOM 45049 O3* A B2097 -0.682 13.852 -86.639 1.00 0.00 O ATOM 45050 C2* A B2097 -0.697 12.805 -84.441 1.00 0.00 C ATOM 45051 O2* A B2097 -1.976 12.298 -84.783 1.00 0.00 O ATOM 45052 C1* A B2097 0.117 11.633 -83.902 1.00 0.00 C ATOM 45053 N9 A B2097 1.135 12.025 -82.887 1.00 0.00 N ATOM 45054 C8 A B2097 2.500 12.114 -83.018 1.00 0.00 C ATOM 45055 N7 A B2097 3.112 12.489 -81.938 1.00 0.00 N ATOM 45056 C5 A B2097 2.089 12.666 -81.019 1.00 0.00 C ATOM 45057 C6 A B2097 2.080 13.065 -79.672 1.00 0.00 C ATOM 45058 N6 A B2097 3.191 13.370 -78.987 1.00 0.00 N ATOM 45059 N1 A B2097 0.888 13.138 -79.054 1.00 0.00 N ATOM 45060 C2 A B2097 -0.210 12.835 -79.741 1.00 0.00 C ATOM 45061 N3 A B2097 -0.328 12.452 -80.996 1.00 0.00 N ATOM 45062 C4 A B2097 0.880 12.388 -81.591 1.00 0.00 C ATOM 45063 P U B2098 -0.572 15.479 -86.721 1.00 0.00 P ATOM 45064 O1P U B2098 -1.164 15.966 -87.988 1.00 0.00 O ATOM 45065 O2P U B2098 0.825 15.894 -86.460 1.00 0.00 O ATOM 45066 O5* U B2098 -1.501 15.906 -85.491 1.00 0.00 O ATOM 45067 C5* U B2098 -2.889 15.520 -85.496 1.00 0.00 C ATOM 45068 C4* U B2098 -3.543 15.918 -84.187 1.00 0.00 C ATOM 45069 O4* U B2098 -2.981 15.109 -83.116 1.00 0.00 O ATOM 45070 C3* U B2098 -3.299 17.358 -83.728 1.00 0.00 C ATOM 45071 O3* U B2098 -4.192 18.242 -84.326 1.00 0.00 O ATOM 45072 C2* U B2098 -3.492 17.249 -82.221 1.00 0.00 C ATOM 45073 O2* U B2098 -4.872 17.168 -81.897 1.00 0.00 O ATOM 45074 C1* U B2098 -2.887 15.878 -81.929 1.00 0.00 C ATOM 45075 N1 U B2098 -1.454 15.932 -81.524 1.00 0.00 N ATOM 45076 C2 U B2098 -1.177 16.384 -80.257 1.00 0.00 C ATOM 45077 O2 U B2098 -2.045 16.735 -79.474 1.00 0.00 O ATOM 45078 N3 U B2098 0.160 16.418 -79.920 1.00 0.00 N ATOM 45079 C4 U B2098 1.220 16.046 -80.722 1.00 0.00 C ATOM 45080 O4 U B2098 2.378 16.122 -80.309 1.00 0.00 O ATOM 45081 C5 U B2098 0.829 15.584 -82.035 1.00 0.00 C ATOM 45082 C6 U B2098 -0.466 15.542 -82.391 1.00 0.00 C ATOM 45083 P U B2099 -3.683 19.755 -84.679 1.00 0.00 P ATOM 45084 O1P U B2099 -4.625 20.405 -85.617 1.00 0.00 O ATOM 45085 O2P U B2099 -2.269 19.707 -85.114 1.00 0.00 O ATOM 45086 O5* U B2099 -3.785 20.448 -83.240 1.00 0.00 O ATOM 45087 C5* U B2099 -5.064 20.516 -82.589 1.00 0.00 C ATOM 45088 C4* U B2099 -4.907 21.096 -81.197 1.00 0.00 C ATOM 45089 O4* U B2099 -4.168 20.148 -80.374 1.00 0.00 O ATOM 45090 C3* U B2099 -4.088 22.384 -81.100 1.00 0.00 C ATOM 45091 O3* U B2099 -4.868 23.509 -81.365 1.00 0.00 O ATOM 45092 C2* U B2099 -3.591 22.339 -79.657 1.00 0.00 C ATOM 45093 O2* U B2099 -4.628 22.694 -78.756 1.00 0.00 O ATOM 45094 C1* U B2099 -3.330 20.848 -79.466 1.00 0.00 C ATOM 45095 N1 U B2099 -1.923 20.447 -79.739 1.00 0.00 N ATOM 45096 C2 U B2099 -0.982 20.788 -78.798 1.00 0.00 C ATOM 45097 O2 U B2099 -1.256 21.391 -77.773 1.00 0.00 O ATOM 45098 N3 U B2099 0.312 20.400 -79.083 1.00 0.00 N ATOM 45099 C4 U B2099 0.733 19.716 -80.206 1.00 0.00 C ATOM 45100 O4 U B2099 1.922 19.424 -80.351 1.00 0.00 O ATOM 45101 C5 U B2099 -0.324 19.404 -81.137 1.00 0.00 C ATOM 45102 C6 U B2099 -1.592 19.769 -80.881 1.00 0.00 C ATOM 45103 P G B2100 -4.176 24.782 -82.115 1.00 0.00 P ATOM 45104 O1P G B2100 -5.218 25.699 -82.632 1.00 0.00 O ATOM 45105 O2P G B2100 -3.196 24.297 -83.111 1.00 0.00 O ATOM 45106 O5* G B2100 -3.411 25.471 -80.890 1.00 0.00 O ATOM 45107 C5* G B2100 -4.171 25.938 -79.762 1.00 0.00 C ATOM 45108 C4* G B2100 -3.240 26.435 -78.675 1.00 0.00 C ATOM 45109 O4* G B2100 -2.505 25.300 -78.129 1.00 0.00 O ATOM 45110 C3* G B2100 -2.145 27.399 -79.130 1.00 0.00 C ATOM 45111 O3* G B2100 -2.609 28.711 -79.185 1.00 0.00 O ATOM 45112 C2* G B2100 -1.077 27.198 -78.056 1.00 0.00 C ATOM 45113 O2* G B2100 -1.443 27.858 -76.855 1.00 0.00 O ATOM 45114 C1* G B2100 -1.190 25.701 -77.790 1.00 0.00 C ATOM 45115 N9 G B2100 -0.237 24.879 -78.587 1.00 0.00 N ATOM 45116 C8 G B2100 -0.483 24.073 -79.679 1.00 0.00 C ATOM 45117 N7 G B2100 0.583 23.480 -80.156 1.00 0.00 N ATOM 45118 C5 G B2100 1.609 23.922 -79.324 1.00 0.00 C ATOM 45119 C6 G B2100 2.997 23.622 -79.341 1.00 0.00 C ATOM 45120 O6 G B2100 3.615 22.892 -80.111 1.00 0.00 O ATOM 45121 N1 G B2100 3.678 24.286 -78.313 1.00 0.00 N ATOM 45122 C2 G B2100 3.098 25.132 -77.388 1.00 0.00 C ATOM 45123 N2 G B2100 3.920 25.670 -76.485 1.00 0.00 N ATOM 45124 N3 G B2100 1.796 25.413 -77.371 1.00 0.00 N ATOM 45125 C4 G B2100 1.119 24.776 -78.362 1.00 0.00 C ATOM 45126 P A B2101 -2.014 29.707 -80.330 1.00 0.00 P ATOM 45127 O1P A B2101 -2.871 30.906 -80.467 1.00 0.00 O ATOM 45128 O2P A B2101 -1.777 28.941 -81.577 1.00 0.00 O ATOM 45129 O5* A B2101 -0.611 30.116 -79.674 1.00 0.00 O ATOM 45130 C5* A B2101 -0.608 30.797 -78.405 1.00 0.00 C ATOM 45131 C4* A B2101 0.815 30.973 -77.916 1.00 0.00 C ATOM 45132 O4* A B2101 1.367 29.665 -77.590 1.00 0.00 O ATOM 45133 C3* A B2101 1.803 31.545 -78.932 1.00 0.00 C ATOM 45134 O3* A B2101 1.751 32.939 -78.964 1.00 0.00 O ATOM 45135 C2* A B2101 3.138 31.018 -78.413 1.00 0.00 C ATOM 45136 O2* A B2101 3.566 31.757 -77.279 1.00 0.00 O ATOM 45137 C1* A B2101 2.746 29.631 -77.915 1.00 0.00 C ATOM 45138 N9 A B2101 2.955 28.554 -78.925 1.00 0.00 N ATOM 45139 C8 A B2101 2.022 27.873 -79.673 1.00 0.00 C ATOM 45140 N7 A B2101 2.528 26.982 -80.469 1.00 0.00 N ATOM 45141 C5 A B2101 3.895 27.075 -80.243 1.00 0.00 C ATOM 45142 C6 A B2101 4.993 26.387 -80.788 1.00 0.00 C ATOM 45143 N6 A B2101 4.876 25.427 -81.716 1.00 0.00 N ATOM 45144 N1 A B2101 6.217 26.721 -80.342 1.00 0.00 N ATOM 45145 C2 A B2101 6.324 27.677 -79.420 1.00 0.00 C ATOM 45146 N3 A B2101 5.376 28.383 -78.841 1.00 0.00 N ATOM 45147 C4 A B2101 4.162 28.027 -79.306 1.00 0.00 C ATOM 45148 P G B2102 2.009 33.700 -80.386 1.00 0.00 P ATOM 45149 O1P G B2102 1.557 35.108 -80.302 1.00 0.00 O ATOM 45150 O2P G B2102 1.423 32.901 -81.486 1.00 0.00 O ATOM 45151 O5* G B2102 3.607 33.650 -80.469 1.00 0.00 O ATOM 45152 C5* G B2102 4.381 34.290 -79.437 1.00 0.00 C ATOM 45153 C4* G B2102 5.855 34.010 -79.649 1.00 0.00 C ATOM 45154 O4* G B2102 6.104 32.593 -79.412 1.00 0.00 O ATOM 45155 C3* G B2102 6.384 34.247 -81.063 1.00 0.00 C ATOM 45156 O3* G B2102 6.715 35.583 -81.266 1.00 0.00 O ATOM 45157 C2* G B2102 7.600 33.326 -81.108 1.00 0.00 C ATOM 45158 O2* G B2102 8.686 33.890 -80.391 1.00 0.00 O ATOM 45159 C1* G B2102 7.110 32.129 -80.300 1.00 0.00 C ATOM 45160 N9 G B2102 6.523 31.043 -81.134 1.00 0.00 N ATOM 45161 C8 G B2102 5.200 30.690 -81.298 1.00 0.00 C ATOM 45162 N7 G B2102 5.017 29.677 -82.111 1.00 0.00 N ATOM 45163 C5 G B2102 6.307 29.337 -82.514 1.00 0.00 C ATOM 45164 C6 G B2102 6.750 28.317 -83.395 1.00 0.00 C ATOM 45165 O6 G B2102 6.084 27.489 -84.010 1.00 0.00 O ATOM 45166 N1 G B2102 8.147 28.322 -83.525 1.00 0.00 N ATOM 45167 C2 G B2102 9.001 29.200 -82.888 1.00 0.00 C ATOM 45168 N2 G B2102 10.302 29.044 -83.143 1.00 0.00 N ATOM 45169 N3 G B2102 8.585 30.159 -82.061 1.00 0.00 N ATOM 45170 C4 G B2102 7.232 30.165 -81.923 1.00 0.00 C ATOM 45171 P C B2103 6.495 36.232 -82.751 1.00 0.00 P ATOM 45172 O1P C B2103 6.546 37.710 -82.678 1.00 0.00 O ATOM 45173 O2P C B2103 5.275 35.658 -83.360 1.00 0.00 O ATOM 45174 O5* C B2103 7.791 35.681 -83.512 1.00 0.00 O ATOM 45175 C5* C B2103 9.094 36.043 -83.023 1.00 0.00 C ATOM 45176 C4* C B2103 10.164 35.318 -83.811 1.00 0.00 C ATOM 45177 O4* C B2103 10.086 33.893 -83.510 1.00 0.00 O ATOM 45178 C3* C B2103 10.029 35.382 -85.333 1.00 0.00 C ATOM 45179 O3* C B2103 10.591 36.546 -85.848 1.00 0.00 O ATOM 45180 C2* C B2103 10.778 34.124 -85.772 1.00 0.00 C ATOM 45181 O2* C B2103 12.180 34.317 -85.688 1.00 0.00 O ATOM 45182 C1* C B2103 10.400 33.139 -84.671 1.00 0.00 C ATOM 45183 N1 C B2103 9.218 32.294 -85.002 1.00 0.00 N ATOM 45184 C2 C B2103 9.394 31.269 -85.926 1.00 0.00 C ATOM 45185 O2 C B2103 10.512 31.101 -86.426 1.00 0.00 O ATOM 45186 N3 C B2103 8.330 30.487 -86.242 1.00 0.00 N ATOM 45187 C4 C B2103 7.133 30.701 -85.679 1.00 0.00 C ATOM 45188 N4 C B2103 6.128 29.911 -86.021 1.00 0.00 N ATOM 45189 C5 C B2103 6.933 31.750 -84.726 1.00 0.00 C ATOM 45190 C6 C B2103 8.007 32.520 -84.424 1.00 0.00 C ATOM 45191 P C B2104 10.228 37.942 -84.636 1.00 0.00 P ATOM 45192 O1P C B2104 10.364 39.377 -84.968 1.00 0.00 O ATOM 45193 O2P C B2104 10.904 37.504 -83.395 1.00 0.00 O ATOM 45194 O5* C B2104 8.477 37.521 -84.826 1.00 0.00 O ATOM 45195 C5* C B2104 8.088 36.547 -85.821 1.00 0.00 C ATOM 45196 C4* C B2104 8.076 37.200 -87.327 1.00 0.00 C ATOM 45197 O4* C B2104 6.664 37.391 -87.632 1.00 0.00 O ATOM 45198 C3* C B2104 8.682 38.594 -87.488 1.00 0.00 C ATOM 45199 O3* C B2104 10.113 38.998 -87.096 1.00 0.00 O ATOM 45200 C2* C B2104 7.882 39.157 -88.664 1.00 0.00 C ATOM 45201 O2* C B2104 8.330 38.600 -89.886 1.00 0.00 O ATOM 45202 C1* C B2104 6.492 38.579 -88.394 1.00 0.00 C ATOM 45203 N1 C B2104 5.437 39.625 -87.532 1.00 0.00 N ATOM 45204 C2 C B2104 4.698 40.548 -88.264 1.00 0.00 C ATOM 45205 O2 C B2104 4.856 40.605 -89.488 1.00 0.00 O ATOM 45206 N3 C B2104 3.828 41.359 -87.602 1.00 0.00 N ATOM 45207 C4 C B2104 3.684 41.264 -86.274 1.00 0.00 C ATOM 45208 N4 C B2104 2.822 42.075 -85.682 1.00 0.00 N ATOM 45209 C5 C B2104 4.432 40.320 -85.505 1.00 0.00 C ATOM 45210 C6 C B2104 5.295 39.523 -86.180 1.00 0.00 C ATOM 45211 P U B2105 11.959 38.504 -87.213 1.00 0.00 P ATOM 45212 O1P U B2105 12.709 38.069 -86.015 1.00 0.00 O ATOM 45213 O2P U B2105 12.265 39.866 -87.707 1.00 0.00 O ATOM 45214 O5* U B2105 12.161 37.446 -88.396 1.00 0.00 O ATOM 45215 C5* U B2105 13.471 36.888 -88.620 1.00 0.00 C ATOM 45216 C4* U B2105 13.406 35.824 -89.697 1.00 0.00 C ATOM 45217 O4* U B2105 12.645 34.688 -89.192 1.00 0.00 O ATOM 45218 C3* U B2105 12.669 36.218 -90.979 1.00 0.00 C ATOM 45219 O3* U B2105 13.503 36.908 -91.855 1.00 0.00 O ATOM 45220 C2* U B2105 12.231 34.862 -91.526 1.00 0.00 C ATOM 45221 O2* U B2105 13.323 34.185 -92.124 1.00 0.00 O ATOM 45222 C1* U B2105 11.890 34.109 -90.243 1.00 0.00 C ATOM 45223 N1 U B2105 10.450 34.184 -89.869 1.00 0.00 N ATOM 45224 C2 U B2105 9.570 33.431 -90.610 1.00 0.00 C ATOM 45225 O2 U B2105 9.926 32.722 -91.537 1.00 0.00 O ATOM 45226 N3 U B2105 8.245 33.525 -90.234 1.00 0.00 N ATOM 45227 C4 U B2105 7.737 34.290 -89.204 1.00 0.00 C ATOM 45228 O4 U B2105 6.529 34.297 -88.964 1.00 0.00 O ATOM 45229 C5 U B2105 8.737 35.047 -88.485 1.00 0.00 C ATOM 45230 C6 U B2105 10.034 34.974 -88.831 1.00 0.00 C ATOM 45231 P U B2106 12.858 38.080 -92.793 1.00 0.00 P ATOM 45232 O1P U B2106 13.930 38.924 -93.364 1.00 0.00 O ATOM 45233 O2P U B2106 11.811 38.798 -92.034 1.00 0.00 O ATOM 45234 O5* U B2106 12.184 37.201 -93.950 1.00 0.00 O ATOM 45235 C5* U B2106 13.019 36.353 -94.756 1.00 0.00 C ATOM 45236 C4* U B2106 12.166 35.525 -95.695 1.00 0.00 C ATOM 45237 O4* U B2106 11.387 34.577 -94.913 1.00 0.00 O ATOM 45238 C3* U B2106 11.109 36.300 -96.490 1.00 0.00 C ATOM 45239 O3* U B2106 11.649 36.864 -97.642 1.00 0.00 O ATOM 45240 C2* U B2106 10.078 35.215 -96.791 1.00 0.00 C ATOM 45241 O2* U B2106 10.531 34.366 -97.833 1.00 0.00 O ATOM 45242 C1* U B2106 10.110 34.396 -95.506 1.00 0.00 C ATOM 45243 N1 U B2106 9.079 34.800 -94.511 1.00 0.00 N ATOM 45244 C2 U B2106 7.778 34.438 -94.775 1.00 0.00 C ATOM 45245 O2 U B2106 7.454 33.815 -95.768 1.00 0.00 O ATOM 45246 N3 U B2106 6.853 34.831 -93.830 1.00 0.00 N ATOM 45247 C4 U B2106 7.109 35.539 -92.672 1.00 0.00 C ATOM 45248 O4 U B2106 6.193 35.833 -91.901 1.00 0.00 O ATOM 45249 C5 U B2106 8.502 35.872 -92.484 1.00 0.00 C ATOM 45250 C6 U B2106 9.425 35.503 -93.387 1.00 0.00 C ATOM 45251 P G B2107 11.067 38.298 -98.164 1.00 0.00 P ATOM 45252 O1P G B2107 11.988 38.894 -99.157 1.00 0.00 O ATOM 45253 O2P G B2107 10.734 39.144 -96.999 1.00 0.00 O ATOM 45254 O5* G B2107 9.722 37.826 -98.893 1.00 0.00 O ATOM 45255 C5* G B2107 9.811 36.915-100.005 1.00 0.00 C ATOM 45256 C4* G B2107 8.422 36.507-100.457 1.00 0.00 C ATOM 45257 O4* G B2107 7.807 35.697 -99.416 1.00 0.00 O ATOM 45258 C3* G B2107 7.427 37.653-100.666 1.00 0.00 C ATOM 45259 O3* G B2107 7.561 38.220-101.933 1.00 0.00 O ATOM 45260 C2* G B2107 6.085 36.952-100.473 1.00 0.00 C ATOM 45261 O2* G B2107 5.751 36.182-101.617 1.00 0.00 O ATOM 45262 C1* G B2107 6.415 35.963 -99.356 1.00 0.00 C ATOM 45263 N9 G B2107 6.102 36.476 -97.993 1.00 0.00 N ATOM 45264 C8 G B2107 6.959 36.918 -97.013 1.00 0.00 C ATOM 45265 N7 G B2107 6.359 37.309 -95.912 1.00 0.00 N ATOM 45266 C5 G B2107 5.006 37.110 -96.188 1.00 0.00 C ATOM 45267 C6 G B2107 3.864 37.349 -95.378 1.00 0.00 C ATOM 45268 O6 G B2107 3.811 37.793 -94.235 1.00 0.00 O ATOM 45269 N1 G B2107 2.681 37.007 -96.050 1.00 0.00 N ATOM 45270 C2 G B2107 2.611 36.500 -97.331 1.00 0.00 C ATOM 45271 N2 G B2107 1.387 36.238 -97.794 1.00 0.00 N ATOM 45272 N3 G B2107 3.682 36.278 -98.089 1.00 0.00 N ATOM 45273 C4 G B2107 4.839 36.602 -97.453 1.00 0.00 C ATOM 45274 P A B2108 7.292 39.821-102.108 1.00 0.00 P ATOM 45275 O1P A B2108 7.828 40.290-103.404 1.00 0.00 O ATOM 45276 O2P A B2108 7.782 40.538-100.908 1.00 0.00 O ATOM 45277 O5* A B2108 5.691 39.853-102.141 1.00 0.00 O ATOM 45278 C5* A B2108 5.000 39.136-103.179 1.00 0.00 C ATOM 45279 C4* A B2108 3.502 39.198-102.946 1.00 0.00 C ATOM 45280 O4* A B2108 3.180 38.432-101.751 1.00 0.00 O ATOM 45281 C3* A B2108 2.933 40.586-102.662 1.00 0.00 C ATOM 45282 O3* A B2108 2.671 41.285-103.839 1.00 0.00 O ATOM 45283 C2* A B2108 1.662 40.256-101.882 1.00 0.00 C ATOM 45284 O2* A B2108 0.642 39.794-102.752 1.00 0.00 O ATOM 45285 C1* A B2108 2.114 39.057-101.056 1.00 0.00 C ATOM 45286 N9 A B2108 2.601 39.419 -99.694 1.00 0.00 N ATOM 45287 C8 A B2108 3.890 39.451 -99.214 1.00 0.00 C ATOM 45288 N7 A B2108 3.982 39.811 -97.970 1.00 0.00 N ATOM 45289 C5 A B2108 2.668 40.033 -97.589 1.00 0.00 C ATOM 45290 C6 A B2108 2.089 40.441 -96.377 1.00 0.00 C ATOM 45291 N6 A B2108 2.797 40.708 -95.271 1.00 0.00 N ATOM 45292 N1 A B2108 0.749 40.563 -96.339 1.00 0.00 N ATOM 45293 C2 A B2108 0.048 40.298 -97.441 1.00 0.00 C ATOM 45294 N3 A B2108 0.476 39.913 -98.624 1.00 0.00 N ATOM 45295 C4 A B2108 1.822 39.797 -98.635 1.00 0.00 C ATOM 45296 P U B2109 1.699 42.851-103.920 1.00 0.00 P ATOM 45297 O1P U B2109 0.719 42.950-102.811 1.00 0.00 O ATOM 45298 O2P U B2109 1.149 43.037-105.279 1.00 0.00 O ATOM 45299 O5* U B2109 3.124 43.989-103.747 1.00 0.00 O ATOM 45300 C5* U B2109 3.211 45.432-103.776 1.00 0.00 C ATOM 45301 C4* U B2109 4.009 46.190-105.003 1.00 0.00 C ATOM 45302 O4* U B2109 4.196 47.605-104.690 1.00 0.00 O ATOM 45303 C3* U B2109 5.386 45.738-105.491 1.00 0.00 C ATOM 45304 O3* U B2109 5.203 44.382-106.282 1.00 0.00 O ATOM 45305 C2* U B2109 5.881 46.975-106.239 1.00 0.00 C ATOM 45306 O2* U B2109 5.247 47.082-107.502 1.00 0.00 O ATOM 45307 C1* U B2109 5.337 48.104-105.375 1.00 0.00 C ATOM 45308 N1 U B2109 6.437 48.709-104.217 1.00 0.00 N ATOM 45309 C2 U B2109 7.473 49.476-104.687 1.00 0.00 C ATOM 45310 O2 U B2109 7.696 49.636-105.873 1.00 0.00 O ATOM 45311 N3 U B2109 8.258 50.073-103.717 1.00 0.00 N ATOM 45312 C4 U B2109 8.096 49.961-102.350 1.00 0.00 C ATOM 45313 O4 U B2109 8.864 50.541-101.580 1.00 0.00 O ATOM 45314 C5 U B2109 6.983 49.131-101.954 1.00 0.00 C ATOM 45315 C6 U B2109 6.205 48.542-102.877 1.00 0.00 C ATOM 45316 P G B2110 6.401 43.672-107.484 1.00 0.00 P ATOM 45317 O1P G B2110 7.735 43.397-106.895 1.00 0.00 O ATOM 45318 O2P G B2110 6.406 44.456-108.740 1.00 0.00 O ATOM 45319 O5* G B2110 5.600 42.021-107.654 1.00 0.00 O ATOM 45320 C5* G B2110 6.292 40.788-108.032 1.00 0.00 C ATOM 45321 C4* G B2110 7.217 40.160-106.834 1.00 0.00 C ATOM 45322 O4* G B2110 8.078 38.989-106.927 1.00 0.00 O ATOM 45323 C3* G B2110 6.921 40.286-105.339 1.00 0.00 C ATOM 45324 O3* G B2110 6.047 41.390-104.669 1.00 0.00 O ATOM 45325 C2* G B2110 6.830 38.824-104.909 1.00 0.00 C ATOM 45326 O2* G B2110 5.600 38.253-105.313 1.00 0.00 O ATOM 45327 C1* G B2110 7.917 38.182-105.769 1.00 0.00 C ATOM 45328 N9 G B2110 9.483 38.028-104.978 1.00 0.00 N ATOM 45329 C8 G B2110 10.018 38.778-103.950 1.00 0.00 C ATOM 45330 N7 G B2110 11.233 38.426-103.612 1.00 0.00 N ATOM 45331 C5 G B2110 11.526 37.371-104.479 1.00 0.00 C ATOM 45332 C6 G B2110 12.700 36.583-104.591 1.00 0.00 C ATOM 45333 O6 G B2110 13.736 36.651-103.939 1.00 0.00 O ATOM 45334 N1 G B2110 12.572 35.618-105.598 1.00 0.00 N ATOM 45335 C2 G B2110 11.459 35.439-106.396 1.00 0.00 C ATOM 45336 N2 G B2110 11.532 34.458-107.302 1.00 0.00 N ATOM 45337 N3 G B2110 10.355 36.176-106.286 1.00 0.00 N ATOM 45338 C4 G B2110 10.462 37.122-105.314 1.00 0.00 C ATOM 45339 P U B2111 6.403 42.866-103.511 1.00 0.00 P ATOM 45340 O1P U B2111 5.217 42.930-102.627 1.00 0.00 O ATOM 45341 O2P U B2111 6.645 44.060-104.346 1.00 0.00 O ATOM 45342 O5* U B2111 7.908 42.773-102.378 1.00 0.00 O ATOM 45343 C5* U B2111 8.337 43.579-101.207 1.00 0.00 C ATOM 45344 C4* U B2111 8.802 42.927 -99.767 1.00 0.00 C ATOM 45345 O4* U B2111 8.241 43.209 -98.454 1.00 0.00 O ATOM 45346 C3* U B2111 9.881 41.878 -99.490 1.00 0.00 C ATOM 45347 O3* U B2111 9.366 40.383 -99.536 1.00 0.00 O ATOM 45348 C2* U B2111 10.428 42.333 -98.141 1.00 0.00 C ATOM 45349 O2* U B2111 11.277 43.459 -98.297 1.00 0.00 O ATOM 45350 C1* U B2111 9.165 42.827 -97.445 1.00 0.00 C ATOM 45351 N1 U B2111 8.310 41.518 -96.296 1.00 0.00 N ATOM 45352 C2 U B2111 9.132 40.759 -95.500 1.00 0.00 C ATOM 45353 O2 U B2111 10.350 40.810 -95.563 1.00 0.00 O ATOM 45354 N3 U B2111 8.489 39.921 -94.613 1.00 0.00 N ATOM 45355 C4 U B2111 7.124 39.786 -94.456 1.00 0.00 C ATOM 45356 O4 U B2111 6.660 39.000 -93.624 1.00 0.00 O ATOM 45357 C5 U B2111 6.343 40.621 -95.338 1.00 0.00 C ATOM 45358 C6 U B2111 6.942 41.443 -96.216 1.00 0.00 C ATOM 45359 P G B2112 7.760 40.187 -98.531 1.00 0.00 P ATOM 45360 O1P G B2112 8.157 39.291 -97.418 1.00 0.00 O ATOM 45361 O2P G B2112 6.738 39.650 -99.453 1.00 0.00 O ATOM 45362 O5* G B2112 6.785 41.815 -98.157 1.00 0.00 O ATOM 45363 C5* G B2112 6.531 43.182 -97.338 1.00 0.00 C ATOM 45364 C4* G B2112 7.439 43.699 -95.936 1.00 0.00 C ATOM 45365 O4* G B2112 6.758 43.334 -94.703 1.00 0.00 O ATOM 45366 C3* G B2112 8.852 44.069 -95.483 1.00 0.00 C ATOM 45367 O3* G B2112 10.312 43.053 -95.674 1.00 0.00 O ATOM 45368 C2* G B2112 8.589 44.741 -94.137 1.00 0.00 C ATOM 45369 O2* G B2112 8.087 46.058 -94.318 1.00 0.00 O ATOM 45370 C1* G B2112 7.440 43.901 -93.592 1.00 0.00 C ATOM 45371 N9 G B2112 7.920 42.623 -92.541 1.00 0.00 N ATOM 45372 C8 G B2112 7.147 41.852 -91.696 1.00 0.00 C ATOM 45373 N7 G B2112 7.837 41.048 -90.927 1.00 0.00 N ATOM 45374 C5 G B2112 9.164 41.300 -91.285 1.00 0.00 C ATOM 45375 C6 G B2112 10.363 40.728 -90.794 1.00 0.00 C ATOM 45376 O6 G B2112 10.511 39.871 -89.929 1.00 0.00 O ATOM 45377 N1 G B2112 11.487 41.270 -91.434 1.00 0.00 N ATOM 45378 C2 G B2112 11.451 42.235 -92.417 1.00 0.00 C ATOM 45379 N2 G B2112 12.632 42.622 -92.907 1.00 0.00 N ATOM 45380 N3 G B2112 10.321 42.772 -92.881 1.00 0.00 N ATOM 45381 C4 G B2112 9.224 42.257 -92.267 1.00 0.00 C ATOM 45382 P U B2113 12.245 42.716 -96.171 1.00 0.00 P ATOM 45383 O1P U B2113 12.497 41.334 -95.687 1.00 0.00 O ATOM 45384 O2P U B2113 13.033 43.778 -95.517 1.00 0.00 O ATOM 45385 O5* U B2113 12.972 42.533 -98.015 1.00 0.00 O ATOM 45386 C5* U B2113 13.694 43.019 -99.361 1.00 0.00 C ATOM 45387 C4* U B2113 13.879 42.458-101.002 1.00 0.00 C ATOM 45388 O4* U B2113 12.703 41.865-101.629 1.00 0.00 O ATOM 45389 C3* U B2113 14.665 43.044-102.177 1.00 0.00 C ATOM 45390 O3* U B2113 16.106 43.669-102.407 1.00 0.00 O ATOM 45391 C2* U B2113 14.409 42.016-103.278 1.00 0.00 C ATOM 45392 O2* U B2113 15.194 40.852-103.069 1.00 0.00 O ATOM 45393 C1* U B2113 12.963 41.627-103.004 1.00 0.00 C ATOM 45394 N1 U B2113 11.815 42.479-103.921 1.00 0.00 N ATOM 45395 C2 U B2113 10.494 42.293-103.593 1.00 0.00 C ATOM 45396 O2 U B2113 10.124 41.477-102.767 1.00 0.00 O ATOM 45397 N3 U B2113 9.595 43.095-104.272 1.00 0.00 N ATOM 45398 C4 U B2113 9.903 44.045-105.224 1.00 0.00 C ATOM 45399 O4 U B2113 9.015 44.703-105.761 1.00 0.00 O ATOM 45400 C5 U B2113 11.315 44.172-105.498 1.00 0.00 C ATOM 45401 C6 U B2113 12.210 43.403-104.856 1.00 0.00 C ATOM 45402 P A B2114 16.364 45.469-102.969 1.00 0.00 P ATOM 45403 O1P A B2114 17.295 46.047-101.972 1.00 0.00 O ATOM 45404 O2P A B2114 15.037 46.115-103.063 1.00 0.00 O ATOM 45405 O5* A B2114 17.268 45.693-104.630 1.00 0.00 O ATOM 45406 C5* A B2114 17.287 46.721-105.766 1.00 0.00 C ATOM 45407 C4* A B2114 18.500 47.633-106.584 1.00 0.00 C ATOM 45408 O4* A B2114 18.255 47.590-108.019 1.00 0.00 O ATOM 45409 C3* A B2114 18.678 49.122-106.285 1.00 0.00 C ATOM 45410 O3* A B2114 19.233 49.795-105.070 1.00 0.00 O ATOM 45411 C2* A B2114 19.404 49.617-107.537 1.00 0.00 C ATOM 45412 O2* A B2114 20.770 49.242-107.506 1.00 0.00 O ATOM 45413 C1* A B2114 18.738 48.780-108.624 1.00 0.00 C ATOM 45414 N9 A B2114 17.429 49.551-109.418 1.00 0.00 N ATOM 45415 C8 A B2114 16.570 49.029-110.360 1.00 0.00 C ATOM 45416 N7 A B2114 15.764 49.902-110.877 1.00 0.00 N ATOM 45417 C5 A B2114 16.096 51.089-110.239 1.00 0.00 C ATOM 45418 C6 A B2114 15.598 52.395-110.346 1.00 0.00 C ATOM 45419 N6 A B2114 14.605 52.739-111.177 1.00 0.00 N ATOM 45420 N1 A B2114 16.156 53.339-109.566 1.00 0.00 N ATOM 45421 C2 A B2114 17.138 52.988-108.743 1.00 0.00 C ATOM 45422 N3 A B2114 17.686 51.806-108.554 1.00 0.00 N ATOM 45423 C4 A B2114 17.108 50.882-109.346 1.00 0.00 C ATOM 45424 P G B2115 18.805 51.566-105.156 1.00 0.00 P ATOM 45425 O1P G B2115 17.898 52.054-106.220 1.00 0.00 O ATOM 45426 O2P G B2115 20.023 52.377-104.922 1.00 0.00 O ATOM 45427 O5* G B2115 17.723 51.018-103.824 1.00 0.00 O ATOM 45428 C5* G B2115 17.425 50.570-102.515 1.00 0.00 C ATOM 45429 C4* G B2115 18.680 50.879-101.475 1.00 0.00 C ATOM 45430 O4* G B2115 18.572 49.862-100.436 1.00 0.00 O ATOM 45431 C3* G B2115 20.118 50.739-101.978 1.00 0.00 C ATOM 45432 O3* G B2115 20.705 51.709-102.974 1.00 0.00 O ATOM 45433 C2* G B2115 20.871 50.398-100.697 1.00 0.00 C ATOM 45434 O2* G B2115 21.054 51.554 -99.895 1.00 0.00 O ATOM 45435 C1* G B2115 19.866 49.509 -99.969 1.00 0.00 C ATOM 45436 N9 G B2115 20.084 47.857-100.216 1.00 0.00 N ATOM 45437 C8 G B2115 19.136 46.860-100.322 1.00 0.00 C ATOM 45438 N7 G B2115 19.632 45.688-100.635 1.00 0.00 N ATOM 45439 C5 G B2115 20.999 45.921-100.744 1.00 0.00 C ATOM 45440 C6 G B2115 22.056 45.032-101.061 1.00 0.00 C ATOM 45441 O6 G B2115 22.002 43.829-101.314 1.00 0.00 O ATOM 45442 N1 G B2115 23.296 45.683-101.063 1.00 0.00 N ATOM 45443 C2 G B2115 23.489 47.024-100.795 1.00 0.00 C ATOM 45444 N2 G B2115 24.750 47.460-100.850 1.00 0.00 N ATOM 45445 N3 G B2115 22.496 47.862-100.500 1.00 0.00 N ATOM 45446 C4 G B2115 21.288 47.242-100.492 1.00 0.00 C ATOM 45447 P G B2116 21.669 53.200-102.548 1.00 0.00 P ATOM 45448 O1P G B2116 21.391 53.732-101.192 1.00 0.00 O ATOM 45449 O2P G B2116 21.624 54.180-103.648 1.00 0.00 O ATOM 45450 O5* G B2116 23.178 52.192-102.658 1.00 0.00 O ATOM 45451 C5* G B2116 23.793 51.309-103.623 1.00 0.00 C ATOM 45452 C4* G B2116 23.501 51.708-105.178 1.00 0.00 C ATOM 45453 O4* G B2116 23.083 53.082-105.435 1.00 0.00 O ATOM 45454 C3* G B2116 24.438 51.384-106.341 1.00 0.00 C ATOM 45455 O3* G B2116 24.929 49.966-106.629 1.00 0.00 O ATOM 45456 C2* G B2116 23.774 52.125-107.500 1.00 0.00 C ATOM 45457 O2* G B2116 22.634 51.425-107.961 1.00 0.00 O ATOM 45458 C1* G B2116 23.271 53.391-106.808 1.00 0.00 C ATOM 45459 N9 G B2116 24.336 54.742-106.919 1.00 0.00 N ATOM 45460 C8 G B2116 25.279 55.183-106.020 1.00 0.00 C ATOM 45461 N7 G B2116 25.885 56.290-106.382 1.00 0.00 N ATOM 45462 C5 G B2116 25.303 56.601-107.605 1.00 0.00 C ATOM 45463 C6 G B2116 25.547 57.689-108.484 1.00 0.00 C ATOM 45464 O6 G B2116 26.341 58.618-108.359 1.00 0.00 O ATOM 45465 N1 G B2116 24.729 57.621-109.622 1.00 0.00 N ATOM 45466 C2 G B2116 23.802 56.628-109.881 1.00 0.00 C ATOM 45467 N2 G B2116 23.127 56.745-111.024 1.00 0.00 N ATOM 45468 N3 G B2116 23.573 55.612-109.056 1.00 0.00 N ATOM 45469 C4 G B2116 24.356 55.663-107.944 1.00 0.00 C ATOM 45470 P A B2117 26.042 49.852-108.083 1.00 0.00 P ATOM 45471 O1P A B2117 26.599 51.168-108.472 1.00 0.00 O ATOM 45472 O2P A B2117 25.443 49.059-109.179 1.00 0.00 O ATOM 45473 O5* A B2117 27.243 48.865-107.142 1.00 0.00 O ATOM 45474 C5* A B2117 27.492 47.466-107.327 1.00 0.00 C ATOM 45475 C4* A B2117 27.592 46.670-105.934 1.00 0.00 C ATOM 45476 O4* A B2117 28.477 47.199-104.903 1.00 0.00 O ATOM 45477 C3* A B2117 26.418 46.094-105.148 1.00 0.00 C ATOM 45478 O3* A B2117 25.151 45.524-105.869 1.00 0.00 O ATOM 45479 C2* A B2117 27.102 45.539-103.903 1.00 0.00 C ATOM 45480 O2* A B2117 27.766 44.317-104.197 1.00 0.00 O ATOM 45481 C1* A B2117 28.186 46.586-103.659 1.00 0.00 C ATOM 45482 N9 A B2117 27.757 47.808-102.545 1.00 0.00 N ATOM 45483 C8 A B2117 27.055 48.967-102.778 1.00 0.00 C ATOM 45484 N7 A B2117 26.732 49.614-101.697 1.00 0.00 N ATOM 45485 C5 A B2117 27.252 48.835-100.675 1.00 0.00 C ATOM 45486 C6 A B2117 27.241 48.981 -99.276 1.00 0.00 C ATOM 45487 N6 A B2117 26.664 50.012 -98.643 1.00 0.00 N ATOM 45488 N1 A B2117 27.854 48.025 -98.550 1.00 0.00 N ATOM 45489 C2 A B2117 28.424 47.003 -99.188 1.00 0.00 C ATOM 45490 N3 A B2117 28.495 46.765-100.483 1.00 0.00 N ATOM 45491 C4 A B2117 27.878 47.735-101.181 1.00 0.00 C ATOM 45492 P U B2118 24.185 44.037-105.330 1.00 0.00 P ATOM 45493 O1P U B2118 23.592 44.186-103.984 1.00 0.00 O ATOM 45494 O2P U B2118 25.001 42.818-105.546 1.00 0.00 O ATOM 45495 O5* U B2118 22.782 44.139-106.537 1.00 0.00 O ATOM 45496 C5* U B2118 21.799 43.112-106.913 1.00 0.00 C ATOM 45497 C4* U B2118 20.191 43.456-106.877 1.00 0.00 C ATOM 45498 O4* U B2118 19.825 44.788-107.330 1.00 0.00 O ATOM 45499 C3* U B2118 19.122 42.550-107.494 1.00 0.00 C ATOM 45500 O3* U B2118 19.024 41.065-107.132 1.00 0.00 O ATOM 45501 C2* U B2118 17.877 43.430-107.419 1.00 0.00 C ATOM 45502 O2* U B2118 17.368 43.468-106.096 1.00 0.00 O ATOM 45503 C1* U B2118 18.459 44.807-107.710 1.00 0.00 C ATOM 45504 N1 U B2118 18.361 45.293-109.355 1.00 0.00 N ATOM 45505 C2 U B2118 17.379 46.196-109.681 1.00 0.00 C ATOM 45506 O2 U B2118 16.540 46.582-108.881 1.00 0.00 O ATOM 45507 N3 U B2118 17.398 46.652-110.981 1.00 0.00 N ATOM 45508 C4 U B2118 18.296 46.286-111.965 1.00 0.00 C ATOM 45509 O4 U B2118 18.214 46.761-113.099 1.00 0.00 O ATOM 45510 C5 U B2118 19.286 45.334-111.528 1.00 0.00 C ATOM 45511 C6 U B2118 19.294 44.873-110.267 1.00 0.00 C ATOM 45512 P A B2119 17.537 40.417-106.254 1.00 0.00 P ATOM 45513 O1P A B2119 17.275 41.171-105.008 1.00 0.00 O ATOM 45514 O2P A B2119 17.646 38.949-106.109 1.00 0.00 O ATOM 45515 O5* A B2119 16.308 40.880-107.542 1.00 0.00 O ATOM 45516 C5* A B2119 14.905 41.192-107.297 1.00 0.00 C ATOM 45517 C4* A B2119 13.887 41.568-108.536 1.00 0.00 C ATOM 45518 O4* A B2119 13.380 40.423-109.278 1.00 0.00 O ATOM 45519 C3* A B2119 12.641 42.413-108.271 1.00 0.00 C ATOM 45520 O3* A B2119 12.697 43.910-107.807 1.00 0.00 O ATOM 45521 C2* A B2119 11.834 42.207-109.550 1.00 0.00 C ATOM 45522 O2* A B2119 12.374 42.971-110.613 1.00 0.00 O ATOM 45523 C1* A B2119 12.130 40.741-109.863 1.00 0.00 C ATOM 45524 N9 A B2119 10.973 39.645-109.282 1.00 0.00 N ATOM 45525 C8 A B2119 10.986 38.933-108.099 1.00 0.00 C ATOM 45526 N7 A B2119 10.046 38.048-108.014 1.00 0.00 N ATOM 45527 C5 A B2119 9.355 38.169-109.213 1.00 0.00 C ATOM 45528 C6 A B2119 8.235 37.500-109.739 1.00 0.00 C ATOM 45529 N6 A B2119 7.588 36.526-109.086 1.00 0.00 N ATOM 45530 N1 A B2119 7.810 37.869-110.960 1.00 0.00 N ATOM 45531 C2 A B2119 8.464 38.837-111.602 1.00 0.00 C ATOM 45532 N3 A B2119 9.513 39.530-111.216 1.00 0.00 N ATOM 45533 C4 A B2119 9.918 39.138-109.989 1.00 0.00 C ATOM 45534 P G B2120 14.225 44.823-107.298 1.00 0.00 P ATOM 45535 O1P G B2120 15.050 45.220-108.461 1.00 0.00 O ATOM 45536 O2P G B2120 14.925 44.066-106.239 1.00 0.00 O ATOM 45537 O5* G B2120 13.523 46.117-106.669 1.00 0.00 O ATOM 45538 C5* G B2120 12.777 46.994-107.530 1.00 0.00 C ATOM 45539 C4* G B2120 12.099 48.074-106.707 1.00 0.00 C ATOM 45540 O4* G B2120 11.063 47.462-105.889 1.00 0.00 O ATOM 45541 C3* G B2120 12.990 48.800-105.698 1.00 0.00 C ATOM 45542 O3* G B2120 13.694 49.843-106.292 1.00 0.00 O ATOM 45543 C2* G B2120 11.972 49.289-104.668 1.00 0.00 C ATOM 45544 O2* G B2120 11.265 50.415-105.157 1.00 0.00 O ATOM 45545 C1* G B2120 10.984 48.125-104.636 1.00 0.00 C ATOM 45546 N9 G B2120 11.267 47.129-103.568 1.00 0.00 N ATOM 45547 C8 G B2120 11.801 45.864-103.676 1.00 0.00 C ATOM 45548 N7 G B2120 11.924 45.236-102.531 1.00 0.00 N ATOM 45549 C5 G B2120 11.437 46.151-101.598 1.00 0.00 C ATOM 45550 C6 G B2120 11.315 46.045-100.188 1.00 0.00 C ATOM 45551 O6 G B2120 11.618 45.102 -99.460 1.00 0.00 O ATOM 45552 N1 G B2120 10.773 47.208 -99.629 1.00 0.00 N ATOM 45553 C2 G B2120 10.394 48.331-100.340 1.00 0.00 C ATOM 45554 N2 G B2120 9.893 49.339 -99.622 1.00 0.00 N ATOM 45555 N3 G B2120 10.508 48.432-101.662 1.00 0.00 N ATOM 45556 C4 G B2120 11.033 47.311-102.221 1.00 0.00 C ATOM 45557 P G B2121 15.195 50.187-105.746 1.00 0.00 P ATOM 45558 O1P G B2121 15.907 51.048-106.718 1.00 0.00 O ATOM 45559 O2P G B2121 15.883 48.933-105.372 1.00 0.00 O ATOM 45560 O5* G B2121 14.849 51.029-104.429 1.00 0.00 O ATOM 45561 C5* G B2121 14.095 52.248-104.558 1.00 0.00 C ATOM 45562 C4* G B2121 13.776 52.809-103.187 1.00 0.00 C ATOM 45563 O4* G B2121 12.840 51.915-102.518 1.00 0.00 O ATOM 45564 C3* G B2121 14.954 52.903-102.216 1.00 0.00 C ATOM 45565 O3* G B2121 15.685 54.071-102.410 1.00 0.00 O ATOM 45566 C2* G B2121 14.252 52.862-100.860 1.00 0.00 C ATOM 45567 O2* G B2121 13.654 54.113-100.567 1.00 0.00 O ATOM 45568 C1* G B2121 13.117 51.879-101.129 1.00 0.00 C ATOM 45569 N9 G B2121 13.447 50.472-100.761 1.00 0.00 N ATOM 45570 C8 G B2121 13.739 49.404-101.580 1.00 0.00 C ATOM 45571 N7 G B2121 13.985 48.289-100.937 1.00 0.00 N ATOM 45572 C5 G B2121 13.848 48.644 -99.594 1.00 0.00 C ATOM 45573 C6 G B2121 13.993 47.860 -98.420 1.00 0.00 C ATOM 45574 O6 G B2121 14.279 46.668 -98.321 1.00 0.00 O ATOM 45575 N1 G B2121 13.763 48.618 -97.266 1.00 0.00 N ATOM 45576 C2 G B2121 13.437 49.962 -97.245 1.00 0.00 C ATOM 45577 N2 G B2121 13.258 50.503 -96.039 1.00 0.00 N ATOM 45578 N3 G B2121 13.301 50.696 -98.347 1.00 0.00 N ATOM 45579 C4 G B2121 13.519 49.975 -99.477 1.00 0.00 C ATOM 45580 P U B2122 17.299 54.041-102.162 1.00 0.00 P ATOM 45581 O1P U B2122 17.932 55.236-102.761 1.00 0.00 O ATOM 45582 O2P U B2122 17.838 52.736-102.608 1.00 0.00 O ATOM 45583 O5* U B2122 17.361 54.135-100.565 1.00 0.00 O ATOM 45584 C5* U B2122 16.803 55.291 -99.913 1.00 0.00 C ATOM 45585 C4* U B2122 16.859 55.115 -98.412 1.00 0.00 C ATOM 45586 O4* U B2122 15.944 54.047 -98.027 1.00 0.00 O ATOM 45587 C3* U B2122 18.203 54.667 -97.840 1.00 0.00 C ATOM 45588 O3* U B2122 19.058 55.748 -97.638 1.00 0.00 O ATOM 45589 C2* U B2122 17.790 53.993 -96.533 1.00 0.00 C ATOM 45590 O2* U B2122 17.469 54.960 -95.549 1.00 0.00 O ATOM 45591 C1* U B2122 16.482 53.318 -96.937 1.00 0.00 C ATOM 45592 N1 U B2122 16.647 51.902 -97.367 1.00 0.00 N ATOM 45593 C2 U B2122 16.888 50.973 -96.385 1.00 0.00 C ATOM 45594 O2 U B2122 16.968 51.265 -95.203 1.00 0.00 O ATOM 45595 N3 U B2122 17.035 49.672 -96.822 1.00 0.00 N ATOM 45596 C4 U B2122 16.965 49.233 -98.126 1.00 0.00 C ATOM 45597 O4 U B2122 17.113 48.039 -98.395 1.00 0.00 O ATOM 45598 C5 U B2122 16.710 50.281 -99.087 1.00 0.00 C ATOM 45599 C6 U B2122 16.563 51.555 -98.691 1.00 0.00 C ATOM 45600 P G B2123 20.662 55.530 -97.852 1.00 0.00 P ATOM 45601 O1P G B2123 21.349 56.839 -97.956 1.00 0.00 O ATOM 45602 O2P G B2123 20.888 54.594 -98.977 1.00 0.00 O ATOM 45603 O5* G B2123 21.056 54.823 -96.470 1.00 0.00 O ATOM 45604 C5* G B2123 20.831 55.530 -95.237 1.00 0.00 C ATOM 45605 C4* G B2123 21.154 54.630 -94.058 1.00 0.00 C ATOM 45606 O4* G B2123 20.175 53.553 -94.006 1.00 0.00 O ATOM 45607 C3* G B2123 22.496 53.905 -94.127 1.00 0.00 C ATOM 45608 O3* G B2123 23.537 54.709 -93.662 1.00 0.00 O ATOM 45609 C2* G B2123 22.249 52.694 -93.231 1.00 0.00 C ATOM 45610 O2* G B2123 22.288 53.061 -91.862 1.00 0.00 O ATOM 45611 C1* G B2123 20.797 52.361 -93.558 1.00 0.00 C ATOM 45612 N9 G B2123 20.646 51.334 -94.629 1.00 0.00 N ATOM 45613 C8 G B2123 20.258 51.498 -95.943 1.00 0.00 C ATOM 45614 N7 G B2123 20.224 50.381 -96.629 1.00 0.00 N ATOM 45615 C5 G B2123 20.619 49.411 -95.708 1.00 0.00 C ATOM 45616 C6 G B2123 20.776 48.011 -95.865 1.00 0.00 C ATOM 45617 O6 G B2123 20.595 47.323 -96.868 1.00 0.00 O ATOM 45618 N1 G B2123 21.194 47.406 -94.673 1.00 0.00 N ATOM 45619 C2 G B2123 21.430 48.066 -93.483 1.00 0.00 C ATOM 45620 N2 G B2123 21.826 47.306 -92.459 1.00 0.00 N ATOM 45621 N3 G B2123 21.285 49.381 -93.338 1.00 0.00 N ATOM 45622 C4 G B2123 20.879 49.985 -94.485 1.00 0.00 C ATOM 45623 P G B2124 25.010 54.559 -94.349 1.00 0.00 P ATOM 45624 O1P G B2124 25.860 55.719 -93.999 1.00 0.00 O ATOM 45625 O2P G B2124 24.853 54.292 -95.796 1.00 0.00 O ATOM 45626 O5* G B2124 25.553 53.248 -93.611 1.00 0.00 O ATOM 45627 C5* G B2124 25.694 53.260 -92.177 1.00 0.00 C ATOM 45628 C4* G B2124 26.097 51.887 -91.682 1.00 0.00 C ATOM 45629 O4* G B2124 24.989 50.966 -91.897 1.00 0.00 O ATOM 45630 C3* G B2124 27.269 51.232 -92.417 1.00 0.00 C ATOM 45631 O3* G B2124 28.493 51.658 -91.911 1.00 0.00 O ATOM 45632 C2* G B2124 27.012 49.747 -92.167 1.00 0.00 C ATOM 45633 O2* G B2124 27.381 49.390 -90.845 1.00 0.00 O ATOM 45634 C1* G B2124 25.489 49.682 -92.233 1.00 0.00 C ATOM 45635 N9 G B2124 24.967 49.324 -93.584 1.00 0.00 N ATOM 45636 C8 G B2124 24.355 50.129 -94.522 1.00 0.00 C ATOM 45637 N7 G B2124 24.009 49.498 -95.619 1.00 0.00 N ATOM 45638 C5 G B2124 24.419 48.187 -95.392 1.00 0.00 C ATOM 45639 C6 G B2124 24.315 47.041 -96.220 1.00 0.00 C ATOM 45640 O6 G B2124 23.831 46.946 -97.346 1.00 0.00 O ATOM 45641 N1 G B2124 24.861 45.909 -95.600 1.00 0.00 N ATOM 45642 C2 G B2124 25.432 45.886 -94.342 1.00 0.00 C ATOM 45643 N2 G B2124 25.895 44.706 -93.929 1.00 0.00 N ATOM 45644 N3 G B2124 25.531 46.963 -93.565 1.00 0.00 N ATOM 45645 C4 G B2124 25.005 48.069 -94.153 1.00 0.00 C ATOM 45646 P G B2125 28.745 52.433 -90.224 1.00 0.00 P ATOM 45647 O1P G B2125 28.312 53.853 -90.279 1.00 0.00 O ATOM 45648 O2P G B2125 30.146 52.202 -89.808 1.00 0.00 O ATOM 45649 O5* G B2125 27.636 51.460 -89.095 1.00 0.00 O ATOM 45650 C5* G B2125 27.713 50.831 -87.757 1.00 0.00 C ATOM 45651 C4* G B2125 26.566 51.088 -86.594 1.00 0.00 C ATOM 45652 O4* G B2125 25.208 50.655 -86.887 1.00 0.00 O ATOM 45653 C3* G B2125 26.735 50.802 -85.101 1.00 0.00 C ATOM 45654 O3* G B2125 28.019 50.943 -84.249 1.00 0.00 O ATOM 45655 C2* G B2125 25.344 51.119 -84.561 1.00 0.00 C ATOM 45656 O2* G B2125 25.140 52.523 -84.474 1.00 0.00 O ATOM 45657 C1* G B2125 24.453 50.610 -85.688 1.00 0.00 C ATOM 45658 N9 G B2125 23.863 48.984 -85.472 1.00 0.00 N ATOM 45659 C8 G B2125 24.549 47.853 -85.093 1.00 0.00 C ATOM 45660 N7 G B2125 23.821 46.757 -85.093 1.00 0.00 N ATOM 45661 C5 G B2125 22.562 47.200 -85.501 1.00 0.00 C ATOM 45662 C6 G B2125 21.357 46.479 -85.691 1.00 0.00 C ATOM 45663 O6 G B2125 21.146 45.282 -85.535 1.00 0.00 O ATOM 45664 N1 G B2125 20.318 47.317 -86.111 1.00 0.00 N ATOM 45665 C2 G B2125 20.426 48.679 -86.316 1.00 0.00 C ATOM 45666 N2 G B2125 19.312 49.303 -86.717 1.00 0.00 N ATOM 45667 N3 G B2125 21.556 49.359 -86.138 1.00 0.00 N ATOM 45668 C4 G B2125 22.579 48.556 -85.735 1.00 0.00 C ATOM 45669 P A B2126 27.915 51.470 -82.469 1.00 0.00 P ATOM 45670 O1P A B2126 26.512 51.746 -82.076 1.00 0.00 O ATOM 45671 O2P A B2126 28.878 52.568 -82.227 1.00 0.00 O ATOM 45672 O5* A B2126 28.514 49.935 -81.624 1.00 0.00 O ATOM 45673 C5* A B2126 29.092 49.143 -80.517 1.00 0.00 C ATOM 45674 C4* A B2126 28.541 49.466 -78.999 1.00 0.00 C ATOM 45675 O4* A B2126 27.195 50.027 -79.028 1.00 0.00 O ATOM 45676 C3* A B2126 28.530 48.544 -77.783 1.00 0.00 C ATOM 45677 O3* A B2126 29.416 47.323 -77.431 1.00 0.00 O ATOM 45678 C2* A B2126 27.643 49.313 -76.809 1.00 0.00 C ATOM 45679 O2* A B2126 28.348 50.402 -76.231 1.00 0.00 O ATOM 45680 C1* A B2126 26.600 49.914 -77.748 1.00 0.00 C ATOM 45681 N9 A B2126 25.185 49.007 -77.900 1.00 0.00 N ATOM 45682 C8 A B2126 24.847 48.113 -78.887 1.00 0.00 C ATOM 45683 N7 A B2126 23.625 47.693 -78.823 1.00 0.00 N ATOM 45684 C5 A B2126 23.099 48.355 -77.718 1.00 0.00 C ATOM 45685 C6 A B2126 21.828 48.336 -77.122 1.00 0.00 C ATOM 45686 N6 A B2126 20.807 47.596 -77.570 1.00 0.00 N ATOM 45687 N1 A B2126 21.648 49.109 -76.032 1.00 0.00 N ATOM 45688 C2 A B2126 22.666 49.843 -75.588 1.00 0.00 C ATOM 45689 N3 A B2126 23.886 49.943 -76.066 1.00 0.00 N ATOM 45690 C4 A B2126 24.045 49.155 -77.149 1.00 0.00 C ATOM 45691 P G B2127 30.650 47.281 -76.064 1.00 0.00 P ATOM 45692 O1P G B2127 31.192 45.919 -75.851 1.00 0.00 O ATOM 45693 O2P G B2127 30.261 48.018 -74.843 1.00 0.00 O ATOM 45694 O5* G B2127 31.694 48.151 -76.911 1.00 0.00 O ATOM 45695 C5* G B2127 31.191 49.135 -77.835 1.00 0.00 C ATOM 45696 C4* G B2127 32.343 49.921 -78.432 1.00 0.00 C ATOM 45697 O4* G B2127 32.952 50.732 -77.386 1.00 0.00 O ATOM 45698 C3* G B2127 33.503 49.089 -78.976 1.00 0.00 C ATOM 45699 O3* G B2127 33.259 48.662 -80.279 1.00 0.00 O ATOM 45700 C2* G B2127 34.669 50.076 -78.888 1.00 0.00 C ATOM 45701 O2* G B2127 34.599 51.031 -79.933 1.00 0.00 O ATOM 45702 C1* G B2127 34.352 50.811 -77.592 1.00 0.00 C ATOM 45703 N9 G B2127 35.027 50.235 -76.394 1.00 0.00 N ATOM 45704 C8 G B2127 34.493 49.480 -75.373 1.00 0.00 C ATOM 45705 N7 G B2127 35.366 49.126 -74.461 1.00 0.00 N ATOM 45706 C5 G B2127 36.563 49.683 -74.911 1.00 0.00 C ATOM 45707 C6 G B2127 37.862 49.638 -74.344 1.00 0.00 C ATOM 45708 O6 G B2127 38.231 49.090 -73.309 1.00 0.00 O ATOM 45709 N1 G B2127 38.788 50.338 -75.130 1.00 0.00 N ATOM 45710 C2 G B2127 38.497 50.995 -76.310 1.00 0.00 C ATOM 45711 N2 G B2127 39.520 51.604 -76.910 1.00 0.00 N ATOM 45712 N3 G B2127 37.278 51.035 -76.842 1.00 0.00 N ATOM 45713 C4 G B2127 36.366 50.361 -76.091 1.00 0.00 C ATOM 45714 P G B2128 33.839 47.210 -80.749 1.00 0.00 P ATOM 45715 O1P G B2128 33.179 46.779 -82.003 1.00 0.00 O ATOM 45716 O2P G B2128 33.759 46.259 -79.619 1.00 0.00 O ATOM 45717 O5* G B2128 35.369 47.579 -81.042 1.00 0.00 O ATOM 45718 C5* G B2128 35.671 48.561 -82.050 1.00 0.00 C ATOM 45719 C4* G B2128 37.159 48.842 -82.072 1.00 0.00 C ATOM 45720 O4* G B2128 37.531 49.516 -80.833 1.00 0.00 O ATOM 45721 C3* G B2128 38.069 47.612 -82.106 1.00 0.00 C ATOM 45722 O3* G B2128 38.246 47.146 -83.406 1.00 0.00 O ATOM 45723 C2* G B2128 39.360 48.153 -81.494 1.00 0.00 C ATOM 45724 O2* G B2128 40.066 48.949 -82.431 1.00 0.00 O ATOM 45725 C1* G B2128 38.821 49.097 -80.425 1.00 0.00 C ATOM 45726 N9 G B2128 38.698 48.469 -79.080 1.00 0.00 N ATOM 45727 C8 G B2128 37.566 48.061 -78.411 1.00 0.00 C ATOM 45728 N7 G B2128 37.803 47.541 -77.231 1.00 0.00 N ATOM 45729 C5 G B2128 39.189 47.610 -77.110 1.00 0.00 C ATOM 45730 C6 G B2128 40.036 47.198 -76.048 1.00 0.00 C ATOM 45731 O6 G B2128 39.733 46.680 -74.977 1.00 0.00 O ATOM 45732 N1 G B2128 41.383 47.451 -76.340 1.00 0.00 N ATOM 45733 C2 G B2128 41.851 48.027 -77.505 1.00 0.00 C ATOM 45734 N2 G B2128 43.174 48.184 -77.591 1.00 0.00 N ATOM 45735 N3 G B2128 41.056 48.413 -78.499 1.00 0.00 N ATOM 45736 C4 G B2128 39.746 48.175 -78.233 1.00 0.00 C ATOM 45737 P C B2129 38.413 45.540 -83.646 1.00 0.00 P ATOM 45738 O1P C B2129 38.221 45.211 -85.077 1.00 0.00 O ATOM 45739 O2P C B2129 37.550 44.806 -82.695 1.00 0.00 O ATOM 45740 O5* C B2129 39.951 45.336 -83.249 1.00 0.00 O ATOM 45741 C5* C B2129 40.963 46.037 -83.994 1.00 0.00 C ATOM 45742 C4* C B2129 42.324 45.800 -83.373 1.00 0.00 C ATOM 45743 O4* C B2129 42.366 46.448 -82.068 1.00 0.00 O ATOM 45744 C3* C B2129 42.673 44.340 -83.069 1.00 0.00 C ATOM 45745 O3* C B2129 43.188 43.695 -84.191 1.00 0.00 O ATOM 45746 C2* C B2129 43.700 44.486 -81.948 1.00 0.00 C ATOM 45747 O2* C B2129 44.956 44.885 -82.465 1.00 0.00 O ATOM 45748 C1* C B2129 43.141 45.673 -81.169 1.00 0.00 C ATOM 45749 N1 C B2129 42.266 45.278 -80.029 1.00 0.00 N ATOM 45750 C2 C B2129 42.876 44.760 -78.890 1.00 0.00 C ATOM 45751 O2 C B2129 44.108 44.642 -78.875 1.00 0.00 O ATOM 45752 N3 C B2129 42.097 44.393 -77.841 1.00 0.00 N ATOM 45753 C4 C B2129 40.767 44.535 -77.898 1.00 0.00 C ATOM 45754 N4 C B2129 40.051 44.167 -76.846 1.00 0.00 N ATOM 45755 C5 C B2129 40.118 45.069 -79.058 1.00 0.00 C ATOM 45756 C6 C B2129 40.915 45.427 -80.097 1.00 0.00 C ATOM 45757 P U B2130 44.581 42.470 -84.052 1.00 0.00 P ATOM 45758 O1P U B2130 45.858 43.145 -84.372 1.00 0.00 O ATOM 45759 O2P U B2130 44.270 41.263 -84.848 1.00 0.00 O ATOM 45760 O5* U B2130 44.510 42.090 -82.254 1.00 0.00 O ATOM 45761 C5* U B2130 44.665 41.557 -80.911 1.00 0.00 C ATOM 45762 C4* U B2130 46.162 41.109 -80.415 1.00 0.00 C ATOM 45763 O4* U B2130 47.159 42.155 -80.207 1.00 0.00 O ATOM 45764 C3* U B2130 46.416 40.135 -79.268 1.00 0.00 C ATOM 45765 O3* U B2130 45.499 39.127 -78.591 1.00 0.00 O ATOM 45766 C2* U B2130 47.931 40.187 -79.128 1.00 0.00 C ATOM 45767 O2* U B2130 48.564 39.451 -80.161 1.00 0.00 O ATOM 45768 C1* U B2130 48.215 41.660 -79.402 1.00 0.00 C ATOM 45769 N1 U B2130 48.327 42.630 -78.012 1.00 0.00 N ATOM 45770 C2 U B2130 48.970 42.090 -76.922 1.00 0.00 C ATOM 45771 O2 U B2130 49.397 40.950 -76.897 1.00 0.00 O ATOM 45772 N3 U B2130 49.105 42.939 -75.833 1.00 0.00 N ATOM 45773 C4 U B2130 48.659 44.239 -75.753 1.00 0.00 C ATOM 45774 O4 U B2130 48.835 44.902 -74.726 1.00 0.00 O ATOM 45775 C5 U B2130 47.995 44.715 -76.941 1.00 0.00 C ATOM 45776 C6 U B2130 47.853 43.912 -78.012 1.00 0.00 C ATOM 45777 P U B2131 45.274 39.462 -76.798 1.00 0.00 P ATOM 45778 O1P U B2131 43.836 39.529 -76.432 1.00 0.00 O ATOM 45779 O2P U B2131 46.096 40.615 -76.362 1.00 0.00 O ATOM 45780 O5* U B2131 46.031 37.907 -76.227 1.00 0.00 O ATOM 45781 C5* U B2131 46.645 37.611 -74.958 1.00 0.00 C ATOM 45782 C4* U B2131 47.626 36.360 -75.115 1.00 0.00 C ATOM 45783 O4* U B2131 49.041 36.476 -75.453 1.00 0.00 O ATOM 45784 C3* U B2131 47.519 34.994 -74.442 1.00 0.00 C ATOM 45785 O3* U B2131 46.154 34.381 -74.179 1.00 0.00 O ATOM 45786 C2* U B2131 48.524 34.167 -75.238 1.00 0.00 C ATOM 45787 O2* U B2131 47.997 33.809 -76.499 1.00 0.00 O ATOM 45788 C1* U B2131 49.628 35.186 -75.494 1.00 0.00 C ATOM 45789 N1 U B2131 50.906 35.144 -74.370 1.00 0.00 N ATOM 45790 C2 U B2131 50.907 34.109 -73.462 1.00 0.00 C ATOM 45791 O2 U B2131 49.991 33.312 -73.369 1.00 0.00 O ATOM 45792 N3 U B2131 52.025 34.034 -72.649 1.00 0.00 N ATOM 45793 C4 U B2131 53.111 34.878 -72.670 1.00 0.00 C ATOM 45794 O4 U B2131 54.054 34.710 -71.898 1.00 0.00 O ATOM 45795 C5 U B2131 53.020 35.937 -73.654 1.00 0.00 C ATOM 45796 C6 U B2131 51.945 36.034 -74.454 1.00 0.00 C ATOM 45797 P U B2132 46.228 33.257 -72.738 1.00 0.00 P ATOM 45798 O1P U B2132 45.829 33.983 -71.517 1.00 0.00 O ATOM 45799 O2P U B2132 47.505 32.503 -72.659 1.00 0.00 O ATOM 45800 O5* U B2132 44.919 32.200 -73.432 1.00 0.00 O ATOM 45801 C5* U B2132 43.757 31.562 -74.000 1.00 0.00 C ATOM 45802 C4* U B2132 43.956 30.011 -74.379 1.00 0.00 C ATOM 45803 O4* U B2132 45.297 29.702 -74.853 1.00 0.00 O ATOM 45804 C3* U B2132 43.526 28.744 -73.642 1.00 0.00 C ATOM 45805 O3* U B2132 42.537 28.524 -72.475 1.00 0.00 O ATOM 45806 C2* U B2132 44.166 27.643 -74.487 1.00 0.00 C ATOM 45807 O2* U B2132 43.432 27.441 -75.680 1.00 0.00 O ATOM 45808 C1* U B2132 45.485 28.302 -74.890 1.00 0.00 C ATOM 45809 N1 U B2132 46.792 27.917 -73.902 1.00 0.00 N ATOM 45810 C2 U B2132 47.959 27.536 -74.528 1.00 0.00 C ATOM 45811 O2 U B2132 48.107 27.587 -75.736 1.00 0.00 O ATOM 45812 N3 U B2132 48.964 27.098 -73.689 1.00 0.00 N ATOM 45813 C4 U B2132 48.910 27.003 -72.318 1.00 0.00 C ATOM 45814 O4 U B2132 49.875 26.591 -71.674 1.00 0.00 O ATOM 45815 C5 U B2132 47.642 27.419 -71.752 1.00 0.00 C ATOM 45816 C6 U B2132 46.650 27.857 -72.538 1.00 0.00 C ATOM 45817 P G B2133 42.231 26.780 -71.931 1.00 0.00 P ATOM 45818 O1P G B2133 43.409 25.925 -72.198 1.00 0.00 O ATOM 45819 O2P G B2133 40.943 26.283 -72.458 1.00 0.00 O ATOM 45820 O5* G B2133 42.094 27.111 -70.126 1.00 0.00 O ATOM 45821 C5* G B2133 42.512 26.477 -68.875 1.00 0.00 C ATOM 45822 C4* G B2133 44.138 26.239 -68.854 1.00 0.00 C ATOM 45823 O4* G B2133 44.687 27.032 -69.949 1.00 0.00 O ATOM 45824 C3* G B2133 45.066 26.549 -67.682 1.00 0.00 C ATOM 45825 O3* G B2133 45.061 25.744 -66.367 1.00 0.00 O ATOM 45826 C2* G B2133 46.425 26.675 -68.365 1.00 0.00 C ATOM 45827 O2* G B2133 46.943 25.398 -68.700 1.00 0.00 O ATOM 45828 C1* G B2133 46.042 27.357 -69.675 1.00 0.00 C ATOM 45829 N9 G B2133 46.194 29.063 -69.663 1.00 0.00 N ATOM 45830 C8 G B2133 45.216 30.025 -69.768 1.00 0.00 C ATOM 45831 N7 G B2133 45.665 31.256 -69.739 1.00 0.00 N ATOM 45832 C5 G B2133 47.046 31.096 -69.604 1.00 0.00 C ATOM 45833 C6 G B2133 48.070 32.072 -69.513 1.00 0.00 C ATOM 45834 O6 G B2133 47.975 33.297 -69.537 1.00 0.00 O ATOM 45835 N1 G B2133 49.334 31.472 -69.386 1.00 0.00 N ATOM 45836 C2 G B2133 49.572 30.113 -69.347 1.00 0.00 C ATOM 45837 N2 G B2133 50.844 29.746 -69.222 1.00 0.00 N ATOM 45838 N3 G B2133 48.607 29.202 -69.428 1.00 0.00 N ATOM 45839 C4 G B2133 47.378 29.760 -69.557 1.00 0.00 C ATOM 45840 P A B2134 46.649 25.709 -65.435 1.00 0.00 P ATOM 45841 O1P A B2134 47.381 26.994 -65.476 1.00 0.00 O ATOM 45842 O2P A B2134 47.439 24.510 -65.800 1.00 0.00 O ATOM 45843 O5* A B2134 45.826 25.574 -63.822 1.00 0.00 O ATOM 45844 C5* A B2134 44.733 26.341 -63.317 1.00 0.00 C ATOM 45845 C4* A B2134 43.529 25.346 -62.964 1.00 0.00 C ATOM 45846 O4* A B2134 42.163 25.821 -62.798 1.00 0.00 O ATOM 45847 C3* A B2134 43.356 23.950 -63.570 1.00 0.00 C ATOM 45848 O3* A B2134 44.666 23.142 -63.779 1.00 0.00 O ATOM 45849 C2* A B2134 42.101 23.449 -62.864 1.00 0.00 C ATOM 45850 O2* A B2134 42.392 23.055 -61.534 1.00 0.00 O ATOM 45851 C1* A B2134 41.266 24.721 -62.779 1.00 0.00 C ATOM 45852 N9 A B2134 40.142 24.921 -64.050 1.00 0.00 N ATOM 45853 C8 A B2134 38.847 25.378 -63.980 1.00 0.00 C ATOM 45854 N7 A B2134 38.299 25.597 -65.133 1.00 0.00 N ATOM 45855 C5 A B2134 39.295 25.263 -66.044 1.00 0.00 C ATOM 45856 C6 A B2134 39.332 25.278 -67.447 1.00 0.00 C ATOM 45857 N6 A B2134 38.303 25.654 -68.215 1.00 0.00 N ATOM 45858 N1 A B2134 40.474 24.879 -68.037 1.00 0.00 N ATOM 45859 C2 A B2134 41.499 24.501 -67.270 1.00 0.00 C ATOM 45860 N3 A B2134 41.576 24.450 -65.959 1.00 0.00 N ATOM 45861 C4 A B2134 40.418 24.848 -65.395 1.00 0.00 C ATOM 45862 P A B2135 44.693 21.307 -63.950 1.00 0.00 P ATOM 45863 O1P A B2135 43.473 20.795 -64.618 1.00 0.00 O ATOM 45864 O2P A B2135 45.014 20.692 -62.643 1.00 0.00 O ATOM 45865 O5* A B2135 46.133 21.173 -65.102 1.00 0.00 O ATOM 45866 C5* A B2135 46.846 20.334 -66.091 1.00 0.00 C ATOM 45867 C4* A B2135 48.472 20.119 -65.876 1.00 0.00 C ATOM 45868 O4* A B2135 48.948 20.790 -64.672 1.00 0.00 O ATOM 45869 C3* A B2135 49.274 18.819 -65.915 1.00 0.00 C ATOM 45870 O3* A B2135 49.284 18.048 -67.345 1.00 0.00 O ATOM 45871 C2* A B2135 50.629 19.262 -65.372 1.00 0.00 C ATOM 45872 O2* A B2135 51.361 19.980 -66.354 1.00 0.00 O ATOM 45873 C1* A B2135 50.218 20.274 -64.301 1.00 0.00 C ATOM 45874 N9 A B2135 50.102 19.643 -62.746 1.00 0.00 N ATOM 45875 C8 A B2135 49.314 18.599 -62.299 1.00 0.00 C ATOM 45876 N7 A B2135 49.289 18.478 -61.007 1.00 0.00 N ATOM 45877 C5 A B2135 50.112 19.501 -60.558 1.00 0.00 C ATOM 45878 C6 A B2135 50.500 19.905 -59.270 1.00 0.00 C ATOM 45879 N6 A B2135 50.086 19.296 -58.147 1.00 0.00 N ATOM 45880 N1 A B2135 51.329 20.959 -59.177 1.00 0.00 N ATOM 45881 C2 A B2135 51.734 21.556 -60.291 1.00 0.00 C ATOM 45882 N3 A B2135 51.439 21.270 -61.542 1.00 0.00 N ATOM 45883 C4 A B2135 50.609 20.208 -61.605 1.00 0.00 C ATOM 45884 P G B2136 50.180 18.441 -68.844 1.00 0.00 P ATOM 45885 O1P G B2136 49.746 18.615 -70.246 1.00 0.00 O ATOM 45886 O2P G B2136 52.017 18.239 -69.255 1.00 0.00 O ATOM 45887 O5* G B2136 50.644 20.221 -68.523 1.00 0.00 O ATOM 45888 C5* G B2136 50.256 21.312 -67.667 1.00 0.00 C ATOM 45889 C4* G B2136 49.978 22.548 -68.494 1.00 0.00 C ATOM 45890 O4* G B2136 51.229 23.019 -69.075 1.00 0.00 O ATOM 45891 C3* G B2136 49.062 22.349 -69.702 1.00 0.00 C ATOM 45892 O3* G B2136 47.719 22.416 -69.338 1.00 0.00 O ATOM 45893 C2* G B2136 49.483 23.499 -70.613 1.00 0.00 C ATOM 45894 O2* G B2136 48.944 24.729 -70.158 1.00 0.00 O ATOM 45895 C1* G B2136 50.988 23.551 -70.367 1.00 0.00 C ATOM 45896 N9 G B2136 51.785 22.762 -71.348 1.00 0.00 N ATOM 45897 C8 G B2136 52.423 21.554 -71.177 1.00 0.00 C ATOM 45898 N7 G B2136 53.044 21.124 -72.250 1.00 0.00 N ATOM 45899 C5 G B2136 52.796 22.116 -73.198 1.00 0.00 C ATOM 45900 C6 G B2136 53.208 22.211 -74.552 1.00 0.00 C ATOM 45901 O6 G B2136 53.890 21.425 -75.205 1.00 0.00 O ATOM 45902 N1 G B2136 52.736 23.386 -75.150 1.00 0.00 N ATOM 45903 C2 G B2136 51.963 24.345 -74.523 1.00 0.00 C ATOM 45904 N2 G B2136 51.612 25.394 -75.268 1.00 0.00 N ATOM 45905 N3 G B2136 51.576 24.254 -73.254 1.00 0.00 N ATOM 45906 C4 G B2136 52.028 23.119 -72.657 1.00 0.00 C ATOM 45907 P U B2137 46.644 21.484 -70.139 1.00 0.00 P ATOM 45908 O1P U B2137 45.369 21.415 -69.389 1.00 0.00 O ATOM 45909 O2P U B2137 47.270 20.182 -70.467 1.00 0.00 O ATOM 45910 O5* U B2137 46.438 22.339 -71.476 1.00 0.00 O ATOM 45911 C5* U B2137 45.923 23.679 -71.374 1.00 0.00 C ATOM 45912 C4* U B2137 45.928 24.341 -72.737 1.00 0.00 C ATOM 45913 O4* U B2137 47.310 24.551 -73.152 1.00 0.00 O ATOM 45914 C3* U B2137 45.321 23.524 -73.879 1.00 0.00 C ATOM 45915 O3* U B2137 43.937 23.669 -73.929 1.00 0.00 O ATOM 45916 C2* U B2137 46.020 24.113 -75.103 1.00 0.00 C ATOM 45917 O2* U B2137 45.467 25.372 -75.441 1.00 0.00 O ATOM 45918 C1* U B2137 47.421 24.375 -74.557 1.00 0.00 C ATOM 45919 N1 U B2137 48.380 23.264 -74.807 1.00 0.00 N ATOM 45920 C2 U B2137 48.846 23.120 -76.092 1.00 0.00 C ATOM 45921 O2 U B2137 48.510 23.852 -77.007 1.00 0.00 O ATOM 45922 N3 U B2137 49.734 22.078 -76.285 1.00 0.00 N ATOM 45923 C4 U B2137 50.181 21.193 -75.327 1.00 0.00 C ATOM 45924 O4 U B2137 50.976 20.298 -75.620 1.00 0.00 O ATOM 45925 C5 U B2137 49.636 21.425 -74.011 1.00 0.00 C ATOM 45926 C6 U B2137 48.772 22.430 -73.794 1.00 0.00 C ATOM 45927 P G B2138 43.031 22.397 -74.408 1.00 0.00 P ATOM 45928 O1P G B2138 41.611 22.616 -74.053 1.00 0.00 O ATOM 45929 O2P G B2138 43.635 21.143 -73.904 1.00 0.00 O ATOM 45930 O5* G B2138 43.208 22.485 -75.997 1.00 0.00 O ATOM 45931 C5* G B2138 42.766 23.669 -76.684 1.00 0.00 C ATOM 45932 C4* G B2138 43.142 23.588 -78.150 1.00 0.00 C ATOM 45933 O4* G B2138 44.593 23.661 -78.268 1.00 0.00 O ATOM 45934 C3* G B2138 42.781 22.284 -78.859 1.00 0.00 C ATOM 45935 O3* G B2138 41.460 22.296 -79.308 1.00 0.00 O ATOM 45936 C2* G B2138 43.789 22.253 -80.004 1.00 0.00 C ATOM 45937 O2* G B2138 43.413 23.152 -81.035 1.00 0.00 O ATOM 45938 C1* G B2138 45.027 22.836 -79.339 1.00 0.00 C ATOM 45939 N9 G B2138 45.951 21.807 -78.779 1.00 0.00 N ATOM 45940 C8 G B2138 46.169 21.455 -77.466 1.00 0.00 C ATOM 45941 N7 G B2138 47.054 20.502 -77.311 1.00 0.00 N ATOM 45942 C5 G B2138 47.450 20.199 -78.612 1.00 0.00 C ATOM 45943 C6 G B2138 48.389 19.245 -79.084 1.00 0.00 C ATOM 45944 O6 G B2138 49.076 18.459 -78.441 1.00 0.00 O ATOM 45945 N1 G B2138 48.485 19.272 -80.482 1.00 0.00 N ATOM 45946 C2 G B2138 47.770 20.109 -81.314 1.00 0.00 C ATOM 45947 N2 G B2138 48.003 19.982 -82.623 1.00 0.00 N ATOM 45948 N3 G B2138 46.891 21.004 -80.870 1.00 0.00 N ATOM 45949 C4 G B2138 46.784 20.993 -79.516 1.00 0.00 C ATOM 45950 P U B2139 40.622 20.897 -79.312 1.00 0.00 P ATOM 45951 O1P U B2139 39.175 21.167 -79.461 1.00 0.00 O ATOM 45952 O2P U B2139 41.009 20.085 -78.136 1.00 0.00 O ATOM 45953 O5* U B2139 41.181 20.215 -80.650 1.00 0.00 O ATOM 45954 C5* U B2139 40.993 20.887 -81.908 1.00 0.00 C ATOM 45955 C4* U B2139 41.706 20.134 -83.009 1.00 0.00 C ATOM 45956 O4* U B2139 43.146 20.232 -82.795 1.00 0.00 O ATOM 45957 C3* U B2139 41.448 18.628 -83.064 1.00 0.00 C ATOM 45958 O3* U B2139 40.278 18.335 -83.762 1.00 0.00 O ATOM 45959 C2* U B2139 42.700 18.111 -83.770 1.00 0.00 C ATOM 45960 O2* U B2139 42.639 18.373 -85.160 1.00 0.00 O ATOM 45961 C1* U B2139 43.775 19.026 -83.192 1.00 0.00 C ATOM 45962 N1 U B2139 44.469 18.457 -82.002 1.00 0.00 N ATOM 45963 C2 U B2139 44.009 18.842 -80.767 1.00 0.00 C ATOM 45964 O2 U B2139 43.078 19.617 -80.616 1.00 0.00 O ATOM 45965 N3 U B2139 44.673 18.294 -79.690 1.00 0.00 N ATOM 45966 C4 U B2139 45.733 17.411 -79.743 1.00 0.00 C ATOM 45967 O4 U B2139 46.248 16.988 -78.704 1.00 0.00 O ATOM 45968 C5 U B2139 46.143 17.065 -81.081 1.00 0.00 C ATOM 45969 C6 U B2139 45.514 17.587 -82.149 1.00 0.00 C ATOM 45970 P G B2140 39.382 17.054 -83.293 1.00 0.00 P ATOM 45971 O1P G B2140 38.032 17.127 -83.895 1.00 0.00 O ATOM 45972 O2P G B2140 39.423 16.942 -81.818 1.00 0.00 O ATOM 45973 O5* G B2140 40.206 15.852 -83.953 1.00 0.00 O ATOM 45974 C5* G B2140 40.369 15.819 -85.382 1.00 0.00 C ATOM 45975 C4* G B2140 41.281 14.672 -85.772 1.00 0.00 C ATOM 45976 O4* G B2140 42.628 14.958 -85.295 1.00 0.00 O ATOM 45977 C3* G B2140 40.948 13.315 -85.151 1.00 0.00 C ATOM 45978 O3* G B2140 39.969 12.645 -85.880 1.00 0.00 O ATOM 45979 C2* G B2140 42.300 12.604 -85.192 1.00 0.00 C ATOM 45980 O2* G B2140 42.593 12.158 -86.505 1.00 0.00 O ATOM 45981 C1* G B2140 43.258 13.754 -84.891 1.00 0.00 C ATOM 45982 N9 G B2140 43.608 13.878 -83.447 1.00 0.00 N ATOM 45983 C8 G B2140 43.185 14.808 -82.528 1.00 0.00 C ATOM 45984 N7 G B2140 43.683 14.639 -81.325 1.00 0.00 N ATOM 45985 C5 G B2140 44.495 13.513 -81.461 1.00 0.00 C ATOM 45986 C6 G B2140 45.296 12.844 -80.501 1.00 0.00 C ATOM 45987 O6 G B2140 45.459 13.112 -79.315 1.00 0.00 O ATOM 45988 N1 G B2140 45.960 11.746 -81.065 1.00 0.00 N ATOM 45989 C2 G B2140 45.857 11.342 -82.382 1.00 0.00 C ATOM 45990 N2 G B2140 46.566 10.265 -82.723 1.00 0.00 N ATOM 45991 N3 G B2140 45.102 11.970 -83.283 1.00 0.00 N ATOM 45992 C4 G B2140 44.456 13.041 -82.754 1.00 0.00 C ATOM 45993 P G B2141 38.907 11.700 -85.080 1.00 0.00 P ATOM 45994 O1P G B2141 37.751 11.381 -85.945 1.00 0.00 O ATOM 45995 O2P G B2141 38.583 12.317 -83.775 1.00 0.00 O ATOM 45996 O5* G B2141 39.790 10.384 -84.853 1.00 0.00 O ATOM 45997 C5* G B2141 40.293 9.673 -85.999 1.00 0.00 C ATOM 45998 C4* G B2141 41.199 8.543 -85.555 1.00 0.00 C ATOM 45999 O4* G B2141 42.403 9.112 -84.967 1.00 0.00 O ATOM 46000 C3* G B2141 40.643 7.637 -84.456 1.00 0.00 C ATOM 46001 O3* G B2141 39.827 6.636 -84.981 1.00 0.00 O ATOM 46002 C2* G B2141 41.918 7.084 -83.822 1.00 0.00 C ATOM 46003 O2* G B2141 42.491 6.079 -84.637 1.00 0.00 O ATOM 46004 C1* G B2141 42.846 8.295 -83.894 1.00 0.00 C ATOM 46005 N9 G B2141 42.841 9.124 -82.653 1.00 0.00 N ATOM 46006 C8 G B2141 42.264 10.356 -82.433 1.00 0.00 C ATOM 46007 N7 G B2141 42.445 10.822 -81.218 1.00 0.00 N ATOM 46008 C5 G B2141 43.197 9.827 -80.593 1.00 0.00 C ATOM 46009 C6 G B2141 43.700 9.757 -79.269 1.00 0.00 C ATOM 46010 O6 G B2141 43.588 10.576 -78.360 1.00 0.00 O ATOM 46011 N1 G B2141 44.408 8.567 -79.052 1.00 0.00 N ATOM 46012 C2 G B2141 44.605 7.575 -79.990 1.00 0.00 C ATOM 46013 N2 G B2141 45.311 6.515 -79.583 1.00 0.00 N ATOM 46014 N3 G B2141 44.132 7.638 -81.231 1.00 0.00 N ATOM 46015 C4 G B2141 43.442 8.787 -81.461 1.00 0.00 C ATOM 46016 P A B2142 38.548 6.128 -84.105 1.00 0.00 P ATOM 46017 O1P A B2142 37.617 5.356 -84.959 1.00 0.00 O ATOM 46018 O2P A B2142 37.957 7.276 -83.383 1.00 0.00 O ATOM 46019 O5* A B2142 39.268 5.147 -83.065 1.00 0.00 O ATOM 46020 C5* A B2142 39.987 4.005 -83.565 1.00 0.00 C ATOM 46021 C4* A B2142 40.689 3.292 -82.426 1.00 0.00 C ATOM 46022 O4* A B2142 41.748 4.151 -81.916 1.00 0.00 O ATOM 46023 C3* A B2142 39.828 2.997 -81.195 1.00 0.00 C ATOM 46024 O3* A B2142 39.105 1.816 -81.348 1.00 0.00 O ATOM 46025 C2* A B2142 40.876 2.905 -80.087 1.00 0.00 C ATOM 46026 O2* A B2142 41.566 1.671 -80.149 1.00 0.00 O ATOM 46027 C1* A B2142 41.866 3.988 -80.510 1.00 0.00 C ATOM 46028 N9 A B2142 41.613 5.311 -79.871 1.00 0.00 N ATOM 46029 C8 A B2142 41.078 6.453 -80.422 1.00 0.00 C ATOM 46030 N7 A B2142 40.990 7.447 -79.593 1.00 0.00 N ATOM 46031 C5 A B2142 41.500 6.938 -78.407 1.00 0.00 C ATOM 46032 C6 A B2142 41.678 7.505 -77.134 1.00 0.00 C ATOM 46033 N6 A B2142 41.350 8.770 -76.837 1.00 0.00 N ATOM 46034 N1 A B2142 42.213 6.725 -76.177 1.00 0.00 N ATOM 46035 C2 A B2142 42.539 5.469 -76.482 1.00 0.00 C ATOM 46036 N3 A B2142 42.417 4.833 -77.628 1.00 0.00 N ATOM 46037 C4 A B2142 41.880 5.638 -78.568 1.00 0.00 C ATOM 46038 P C B2143 37.622 1.713 -80.674 1.00 0.00 P ATOM 46039 O1P C B2143 36.880 0.565 -81.243 1.00 0.00 O ATOM 46040 O2P C B2143 36.945 3.024 -80.765 1.00 0.00 O ATOM 46041 O5* C B2143 38.009 1.407 -79.151 1.00 0.00 O ATOM 46042 C5* C B2143 38.754 0.214 -78.846 1.00 0.00 C ATOM 46043 C4* C B2143 39.114 0.191 -77.376 1.00 0.00 C ATOM 46044 O4* C B2143 40.071 1.257 -77.102 1.00 0.00 O ATOM 46045 C3* C B2143 37.967 0.469 -76.405 1.00 0.00 C ATOM 46046 O3* C B2143 37.230 -0.683 -76.137 1.00 0.00 O ATOM 46047 C2* C B2143 38.708 0.995 -75.175 1.00 0.00 C ATOM 46048 O2* C B2143 39.317 -0.069 -74.463 1.00 0.00 O ATOM 46049 C1* C B2143 39.834 1.799 -75.815 1.00 0.00 C ATOM 46050 N1 C B2143 39.516 3.247 -75.980 1.00 0.00 N ATOM 46051 C2 C B2143 39.530 4.045 -74.840 1.00 0.00 C ATOM 46052 O2 C B2143 39.800 3.527 -73.749 1.00 0.00 O ATOM 46053 N3 C B2143 39.244 5.365 -74.965 1.00 0.00 N ATOM 46054 C4 C B2143 38.956 5.890 -76.164 1.00 0.00 C ATOM 46055 N4 C B2143 38.685 7.185 -76.233 1.00 0.00 N ATOM 46056 C5 C B2143 38.939 5.086 -77.349 1.00 0.00 C ATOM 46057 C6 C B2143 39.225 3.770 -77.200 1.00 0.00 C ATOM 46058 P G B2144 36.041 -1.387 -77.381 1.00 0.00 P ATOM 46059 O1P G B2144 35.960 -2.853 -77.201 1.00 0.00 O ATOM 46060 O2P G B2144 36.364 -0.918 -78.750 1.00 0.00 O ATOM 46061 O5* G B2144 34.473 -0.610 -76.801 1.00 0.00 O ATOM 46062 C5* G B2144 33.218 0.127 -76.843 1.00 0.00 C ATOM 46063 C4* G B2144 31.835 -0.533 -77.421 1.00 0.00 C ATOM 46064 O4* G B2144 31.476 -0.472 -78.831 1.00 0.00 O ATOM 46065 C3* G B2144 30.912 -1.616 -76.852 1.00 0.00 C ATOM 46066 O3* G B2144 30.522 -1.664 -75.359 1.00 0.00 O ATOM 46067 C2* G B2144 29.631 -1.395 -77.649 1.00 0.00 C ATOM 46068 O2* G B2144 28.927 -0.259 -77.169 1.00 0.00 O ATOM 46069 C1* G B2144 30.182 -1.021 -79.024 1.00 0.00 C ATOM 46070 N9 G B2144 30.310 -2.343 -80.135 1.00 0.00 N ATOM 46071 C8 G B2144 31.393 -3.149 -80.405 1.00 0.00 C ATOM 46072 N7 G B2144 31.190 -4.013 -81.376 1.00 0.00 N ATOM 46073 C5 G B2144 29.878 -3.756 -81.773 1.00 0.00 C ATOM 46074 C6 G B2144 29.094 -4.371 -82.783 1.00 0.00 C ATOM 46075 O6 G B2144 29.403 -5.284 -83.548 1.00 0.00 O ATOM 46076 N1 G B2144 27.813 -3.805 -82.855 1.00 0.00 N ATOM 46077 C2 G B2144 27.351 -2.781 -82.053 1.00 0.00 C ATOM 46078 N2 G B2144 26.097 -2.382 -82.275 1.00 0.00 N ATOM 46079 N3 G B2144 28.087 -2.206 -81.103 1.00 0.00 N ATOM 46080 C4 G B2144 29.332 -2.741 -81.022 1.00 0.00 C ATOM 46081 P C B2145 31.693 -1.222 -74.032 1.00 0.00 P ATOM 46082 O1P C B2145 33.083 -1.076 -74.519 1.00 0.00 O ATOM 46083 O2P C B2145 31.506 -2.127 -72.875 1.00 0.00 O ATOM 46084 O5* C B2145 30.905 0.401 -73.722 1.00 0.00 O ATOM 46085 C5* C B2145 30.528 1.614 -73.012 1.00 0.00 C ATOM 46086 C4* C B2145 31.705 2.233 -72.037 1.00 0.00 C ATOM 46087 O4* C B2145 32.485 1.199 -71.372 1.00 0.00 O ATOM 46088 C3* C B2145 32.754 3.192 -72.595 1.00 0.00 C ATOM 46089 O3* C B2145 32.238 4.666 -72.676 1.00 0.00 O ATOM 46090 C2* C B2145 33.826 3.158 -71.508 1.00 0.00 C ATOM 46091 O2* C B2145 33.432 3.923 -70.385 1.00 0.00 O ATOM 46092 C1* C B2145 33.780 1.694 -71.081 1.00 0.00 C ATOM 46093 N1 C B2145 34.926 0.689 -71.857 1.00 0.00 N ATOM 46094 C2 C B2145 36.155 1.248 -72.199 1.00 0.00 C ATOM 46095 O2 C B2145 36.356 2.442 -71.949 1.00 0.00 O ATOM 46096 N3 C B2145 37.087 0.461 -72.793 1.00 0.00 N ATOM 46097 C4 C B2145 36.829 -0.830 -73.048 1.00 0.00 C ATOM 46098 N4 C B2145 37.773 -1.557 -73.628 1.00 0.00 N ATOM 46099 C5 C B2145 35.572 -1.423 -72.704 1.00 0.00 C ATOM 46100 C6 C B2145 34.657 -0.621 -72.110 1.00 0.00 C ATOM 46101 P C B2146 31.594 5.434 -74.191 1.00 0.00 P ATOM 46102 O1P C B2146 30.204 5.019 -74.486 1.00 0.00 O ATOM 46103 O2P C B2146 32.539 5.358 -75.327 1.00 0.00 O ATOM 46104 O5* C B2146 31.644 7.065 -73.371 1.00 0.00 O ATOM 46105 C5* C B2146 32.291 8.310 -73.033 1.00 0.00 C ATOM 46106 C4* C B2146 31.613 9.231 -71.867 1.00 0.00 C ATOM 46107 O4* C B2146 30.441 8.735 -71.157 1.00 0.00 O ATOM 46108 C3* C B2146 32.422 9.952 -70.789 1.00 0.00 C ATOM 46109 O3* C B2146 33.637 10.786 -71.166 1.00 0.00 O ATOM 46110 C2* C B2146 31.324 10.565 -69.924 1.00 0.00 C ATOM 46111 O2* C B2146 30.766 11.706 -70.553 1.00 0.00 O ATOM 46112 C1* C B2146 30.257 9.475 -69.960 1.00 0.00 C ATOM 46113 N1 C B2146 30.305 8.389 -68.644 1.00 0.00 N ATOM 46114 C2 C B2146 30.100 8.907 -67.367 1.00 0.00 C ATOM 46115 O2 C B2146 29.900 10.122 -67.243 1.00 0.00 O ATOM 46116 N3 C B2146 30.127 8.058 -66.309 1.00 0.00 N ATOM 46117 C4 C B2146 30.347 6.750 -66.484 1.00 0.00 C ATOM 46118 N4 C B2146 30.364 5.967 -65.420 1.00 0.00 N ATOM 46119 C5 C B2146 30.558 6.200 -67.789 1.00 0.00 C ATOM 46120 C6 C B2146 30.529 7.060 -68.836 1.00 0.00 C ATOM 46121 P A B2147 35.176 9.793 -71.156 1.00 0.00 P ATOM 46122 O1P A B2147 35.948 9.998 -72.401 1.00 0.00 O ATOM 46123 O2P A B2147 34.918 8.384 -70.777 1.00 0.00 O ATOM 46124 O5* A B2147 35.877 10.725 -69.753 1.00 0.00 O ATOM 46125 C5* A B2147 36.827 11.522 -69.018 1.00 0.00 C ATOM 46126 C4* A B2147 36.849 13.081 -69.521 1.00 0.00 C ATOM 46127 O4* A B2147 35.789 13.351 -70.482 1.00 0.00 O ATOM 46128 C3* A B2147 36.693 14.191 -68.481 1.00 0.00 C ATOM 46129 O3* A B2147 37.895 14.332 -67.495 1.00 0.00 O ATOM 46130 C2* A B2147 36.272 15.380 -69.343 1.00 0.00 C ATOM 46131 O2* A B2147 37.381 15.914 -70.040 1.00 0.00 O ATOM 46132 C1* A B2147 35.380 14.707 -70.378 1.00 0.00 C ATOM 46133 N9 A B2147 33.739 14.737 -70.014 1.00 0.00 N ATOM 46134 C8 A B2147 32.925 13.691 -69.637 1.00 0.00 C ATOM 46135 N7 A B2147 31.729 14.056 -69.294 1.00 0.00 N ATOM 46136 C5 A B2147 31.740 15.434 -69.453 1.00 0.00 C ATOM 46137 C6 A B2147 30.760 16.421 -69.243 1.00 0.00 C ATOM 46138 N6 A B2147 29.518 16.148 -68.816 1.00 0.00 N ATOM 46139 N1 A B2147 31.101 17.695 -69.496 1.00 0.00 N ATOM 46140 C2 A B2147 32.336 17.959 -69.919 1.00 0.00 C ATOM 46141 N3 A B2147 33.332 17.127 -70.145 1.00 0.00 N ATOM 46142 C4 A B2147 32.959 15.856 -69.888 1.00 0.00 C ATOM 46143 P G B2148 39.592 14.554 -68.192 1.00 0.00 P ATOM 46144 O1P G B2148 40.444 15.482 -67.413 1.00 0.00 O ATOM 46145 O2P G B2148 39.458 14.859 -69.631 1.00 0.00 O ATOM 46146 O5* G B2148 40.113 13.055 -67.995 1.00 0.00 O ATOM 46147 C5* G B2148 40.231 12.522 -66.664 1.00 0.00 C ATOM 46148 C4* G B2148 40.623 11.060 -66.723 1.00 0.00 C ATOM 46149 O4* G B2148 39.510 10.299 -67.283 1.00 0.00 O ATOM 46150 C3* G B2148 41.797 10.719 -67.637 1.00 0.00 C ATOM 46151 O3* G B2148 43.015 10.908 -66.992 1.00 0.00 O ATOM 46152 C2* G B2148 41.529 9.253 -67.971 1.00 0.00 C ATOM 46153 O2* G B2148 41.876 8.417 -66.880 1.00 0.00 O ATOM 46154 C1* G B2148 40.009 9.236 -68.080 1.00 0.00 C ATOM 46155 N9 G B2148 39.504 9.423 -69.467 1.00 0.00 N ATOM 46156 C8 G B2148 38.912 10.529 -70.039 1.00 0.00 C ATOM 46157 N7 G B2148 38.580 10.367 -71.295 1.00 0.00 N ATOM 46158 C5 G B2148 38.979 9.063 -71.578 1.00 0.00 C ATOM 46159 C6 G B2148 38.879 8.318 -72.780 1.00 0.00 C ATOM 46160 O6 G B2148 38.412 8.661 -73.864 1.00 0.00 O ATOM 46161 N1 G B2148 39.410 7.029 -72.630 1.00 0.00 N ATOM 46162 C2 G B2148 39.960 6.524 -71.469 1.00 0.00 C ATOM 46163 N2 G B2148 40.410 5.271 -71.529 1.00 0.00 N ATOM 46164 N3 G B2148 40.051 7.222 -70.339 1.00 0.00 N ATOM 46165 C4 G B2148 39.543 8.476 -70.469 1.00 0.00 C ATOM 46166 P U B2149 44.297 11.418 -67.867 1.00 0.00 P ATOM 46167 O1P U B2149 45.370 11.904 -66.972 1.00 0.00 O ATOM 46168 O2P U B2149 43.840 12.371 -68.903 1.00 0.00 O ATOM 46169 O5* U B2149 44.752 10.047 -68.557 1.00 0.00 O ATOM 46170 C5* U B2149 45.153 8.943 -67.721 1.00 0.00 C ATOM 46171 C4* U B2149 45.419 7.718 -68.573 1.00 0.00 C ATOM 46172 O4* U B2149 44.161 7.257 -69.144 1.00 0.00 O ATOM 46173 C3* U B2149 46.316 7.935 -69.792 1.00 0.00 C ATOM 46174 O3* U B2149 47.667 7.866 -69.452 1.00 0.00 O ATOM 46175 C2* U B2149 45.883 6.800 -70.717 1.00 0.00 C ATOM 46176 O2* U B2149 46.425 5.565 -70.286 1.00 0.00 O ATOM 46177 C1* U B2149 44.382 6.744 -70.446 1.00 0.00 C ATOM 46178 N1 U B2149 43.572 7.547 -71.402 1.00 0.00 N ATOM 46179 C2 U B2149 43.418 7.046 -72.672 1.00 0.00 C ATOM 46180 O2 U B2149 43.912 5.988 -73.031 1.00 0.00 O ATOM 46181 N3 U B2149 42.661 7.818 -73.529 1.00 0.00 N ATOM 46182 C4 U B2149 42.060 9.023 -73.231 1.00 0.00 C ATOM 46183 O4 U B2149 41.403 9.626 -74.084 1.00 0.00 O ATOM 46184 C5 U B2149 42.276 9.471 -71.877 1.00 0.00 C ATOM 46185 C6 U B2149 43.008 8.739 -71.020 1.00 0.00 C ATOM 46186 P C B2150 48.730 8.808 -70.254 1.00 0.00 P ATOM 46187 O1P C B2150 50.016 8.870 -69.521 1.00 0.00 O ATOM 46188 O2P C B2150 48.099 10.114 -70.551 1.00 0.00 O ATOM 46189 O5* C B2150 48.915 7.974 -71.605 1.00 0.00 O ATOM 46190 C5* C B2150 49.431 6.634 -71.531 1.00 0.00 C ATOM 46191 C4* C B2150 49.405 5.991 -72.904 1.00 0.00 C ATOM 46192 O4* C B2150 48.017 5.790 -73.303 1.00 0.00 O ATOM 46193 C3* C B2150 49.997 6.826 -74.041 1.00 0.00 C ATOM 46194 O3* C B2150 51.376 6.681 -74.118 1.00 0.00 O ATOM 46195 C2* C B2150 49.275 6.257 -75.264 1.00 0.00 C ATOM 46196 O2* C B2150 49.825 5.004 -75.630 1.00 0.00 O ATOM 46197 C1* C B2150 47.882 5.985 -74.702 1.00 0.00 C ATOM 46198 N1 C B2150 46.921 7.101 -74.922 1.00 0.00 N ATOM 46199 C2 C B2150 46.420 7.282 -76.207 1.00 0.00 C ATOM 46200 O2 C B2150 46.789 6.516 -77.106 1.00 0.00 O ATOM 46201 N3 C B2150 45.539 8.292 -76.426 1.00 0.00 N ATOM 46202 C4 C B2150 45.163 9.103 -75.427 1.00 0.00 C ATOM 46203 N4 C B2150 44.306 10.072 -75.694 1.00 0.00 N ATOM 46204 C5 C B2150 45.669 8.930 -74.097 1.00 0.00 C ATOM 46205 C6 C B2150 46.548 7.915 -73.898 1.00 0.00 C ATOM 46206 P U B2151 52.276 7.963 -74.589 1.00 0.00 P ATOM 46207 O1P U B2151 53.701 7.739 -74.259 1.00 0.00 O ATOM 46208 O2P U B2151 51.678 9.207 -74.059 1.00 0.00 O ATOM 46209 O5* U B2151 52.076 7.898 -76.178 1.00 0.00 O ATOM 46210 C5* U B2151 52.506 6.723 -76.889 1.00 0.00 C ATOM 46211 C4* U B2151 52.106 6.829 -78.348 1.00 0.00 C ATOM 46212 O4* U B2151 50.655 6.759 -78.445 1.00 0.00 O ATOM 46213 C3* U B2151 52.459 8.145 -79.043 1.00 0.00 C ATOM 46214 O3* U B2151 53.772 8.139 -79.510 1.00 0.00 O ATOM 46215 C2* U B2151 51.430 8.192 -80.173 1.00 0.00 C ATOM 46216 O2* U B2151 51.792 7.310 -81.221 1.00 0.00 O ATOM 46217 C1* U B2151 50.201 7.597 -79.496 1.00 0.00 C ATOM 46218 N1 U B2151 49.288 8.617 -78.907 1.00 0.00 N ATOM 46219 C2 U B2151 48.524 9.350 -79.782 1.00 0.00 C ATOM 46220 O2 U B2151 48.563 9.194 -80.991 1.00 0.00 O ATOM 46221 N3 U B2151 47.690 10.284 -79.202 1.00 0.00 N ATOM 46222 C4 U B2151 47.563 10.545 -77.851 1.00 0.00 C ATOM 46223 O4 U B2151 46.782 11.409 -77.449 1.00 0.00 O ATOM 46224 C5 U B2151 48.410 9.728 -77.014 1.00 0.00 C ATOM 46225 C6 U B2151 49.230 8.810 -77.553 1.00 0.00 C ATOM 46226 P G B2152 54.611 9.540 -79.507 1.00 0.00 P ATOM 46227 O1P G B2152 56.057 9.271 -79.680 1.00 0.00 O ATOM 46228 O2P G B2152 54.243 10.333 -78.313 1.00 0.00 O ATOM 46229 O5* G B2152 54.030 10.239 -80.821 1.00 0.00 O ATOM 46230 C5* G B2152 54.198 9.587 -82.095 1.00 0.00 C ATOM 46231 C4* G B2152 53.469 10.358 -83.174 1.00 0.00 C ATOM 46232 O4* G B2152 52.035 10.256 -82.941 1.00 0.00 O ATOM 46233 C3* G B2152 53.727 11.864 -83.210 1.00 0.00 C ATOM 46234 O3* G B2152 54.886 12.169 -83.923 1.00 0.00 O ATOM 46235 C2* G B2152 52.465 12.392 -83.888 1.00 0.00 C ATOM 46236 O2* G B2152 52.504 12.152 -85.284 1.00 0.00 O ATOM 46237 C1* G B2152 51.397 11.468 -83.310 1.00 0.00 C ATOM 46238 N9 G B2152 50.722 12.018 -82.101 1.00 0.00 N ATOM 46239 C8 G B2152 50.870 11.657 -80.778 1.00 0.00 C ATOM 46240 N7 G B2152 50.123 12.343 -79.950 1.00 0.00 N ATOM 46241 C5 G B2152 49.430 13.223 -80.781 1.00 0.00 C ATOM 46242 C6 G B2152 48.471 14.219 -80.462 1.00 0.00 C ATOM 46243 O6 G B2152 48.024 14.534 -79.360 1.00 0.00 O ATOM 46244 N1 G B2152 48.018 14.881 -81.608 1.00 0.00 N ATOM 46245 C2 G B2152 48.440 14.621 -82.898 1.00 0.00 C ATOM 46246 N2 G B2152 47.890 15.369 -83.858 1.00 0.00 N ATOM 46247 N3 G B2152 49.340 13.689 -83.198 1.00 0.00 N ATOM 46248 C4 G B2152 49.787 13.033 -82.095 1.00 0.00 C ATOM 46249 P C B2153 55.791 13.441 -83.445 1.00 0.00 P ATOM 46250 O1P C B2153 57.131 13.378 -84.069 1.00 0.00 O ATOM 46251 O2P C B2153 55.771 13.529 -81.967 1.00 0.00 O ATOM 46252 O5* C B2153 54.956 14.654 -84.071 1.00 0.00 O ATOM 46253 C5* C B2153 54.770 14.711 -85.499 1.00 0.00 C ATOM 46254 C4* C B2153 53.854 15.861 -85.859 1.00 0.00 C ATOM 46255 O4* C B2153 52.516 15.570 -85.364 1.00 0.00 O ATOM 46256 C3* C B2153 54.196 17.207 -85.224 1.00 0.00 C ATOM 46257 O3* C B2153 55.165 17.889 -85.953 1.00 0.00 O ATOM 46258 C2* C B2153 52.845 17.918 -85.231 1.00 0.00 C ATOM 46259 O2* C B2153 52.532 18.387 -86.533 1.00 0.00 O ATOM 46260 C1* C B2153 51.888 16.766 -84.932 1.00 0.00 C ATOM 46261 N1 C B2153 51.562 16.620 -83.486 1.00 0.00 N ATOM 46262 C2 C B2153 50.696 17.550 -82.920 1.00 0.00 C ATOM 46263 O2 C B2153 50.237 18.450 -83.634 1.00 0.00 O ATOM 46264 N3 C B2153 50.383 17.435 -81.603 1.00 0.00 N ATOM 46265 C4 C B2153 50.901 16.446 -80.866 1.00 0.00 C ATOM 46266 N4 C B2153 50.567 16.374 -79.584 1.00 0.00 N ATOM 46267 C5 C B2153 51.796 15.480 -81.428 1.00 0.00 C ATOM 46268 C6 C B2153 52.094 15.611 -82.744 1.00 0.00 C ATOM 46269 P A B2154 56.240 18.825 -85.156 1.00 0.00 P ATOM 46270 O1P A B2154 57.384 19.156 -86.036 1.00 0.00 O ATOM 46271 O2P A B2154 56.582 18.187 -83.865 1.00 0.00 O ATOM 46272 O5* A B2154 55.359 20.137 -84.897 1.00 0.00 O ATOM 46273 C5* A B2154 54.840 20.866 -86.025 1.00 0.00 C ATOM 46274 C4* A B2154 53.941 21.985 -85.550 1.00 0.00 C ATOM 46275 O4* A B2154 52.742 21.409 -84.950 1.00 0.00 O ATOM 46276 C3* A B2154 54.512 22.876 -84.442 1.00 0.00 C ATOM 46277 O3* A B2154 55.320 23.887 -84.966 1.00 0.00 O ATOM 46278 C2* A B2154 53.247 23.418 -83.782 1.00 0.00 C ATOM 46279 O2* A B2154 52.661 24.436 -84.574 1.00 0.00 O ATOM 46280 C1* A B2154 52.320 22.208 -83.854 1.00 0.00 C ATOM 46281 N9 A B2154 52.342 21.361 -82.631 1.00 0.00 N ATOM 46282 C8 A B2154 52.923 20.127 -82.441 1.00 0.00 C ATOM 46283 N7 A B2154 52.761 19.647 -81.246 1.00 0.00 N ATOM 46284 C5 A B2154 52.026 20.622 -80.589 1.00 0.00 C ATOM 46285 C6 A B2154 51.528 20.712 -79.278 1.00 0.00 C ATOM 46286 N6 A B2154 51.704 19.761 -78.354 1.00 0.00 N ATOM 46287 N1 A B2154 50.834 21.821 -78.955 1.00 0.00 N ATOM 46288 C2 A B2154 50.661 22.763 -79.879 1.00 0.00 C ATOM 46289 N3 A B2154 51.077 22.790 -81.129 1.00 0.00 N ATOM 46290 C4 A B2154 51.766 21.670 -81.428 1.00 0.00 C ATOM 46291 P U B2155 56.613 24.381 -84.099 1.00 0.00 P ATOM 46292 O1P U B2155 57.529 25.165 -84.957 1.00 0.00 O ATOM 46293 O2P U B2155 57.216 23.222 -83.405 1.00 0.00 O ATOM 46294 O5* U B2155 55.911 25.345 -83.035 1.00 0.00 O ATOM 46295 C5* U B2155 55.184 26.495 -83.508 1.00 0.00 C ATOM 46296 C4* U B2155 54.498 27.187 -82.345 1.00 0.00 C ATOM 46297 O4* U B2155 53.445 26.321 -81.833 1.00 0.00 O ATOM 46298 C3* U B2155 55.375 27.465 -81.124 1.00 0.00 C ATOM 46299 O3* U B2155 56.098 28.647 -81.270 1.00 0.00 O ATOM 46300 C2* U B2155 54.345 27.539 -80.000 1.00 0.00 C ATOM 46301 O2* U B2155 53.654 28.773 -80.032 1.00 0.00 O ATOM 46302 C1* U B2155 53.351 26.463 -80.422 1.00 0.00 C ATOM 46303 N1 U B2155 53.611 25.132 -79.809 1.00 0.00 N ATOM 46304 C2 U B2155 53.292 24.982 -78.480 1.00 0.00 C ATOM 46305 O2 U B2155 52.816 25.880 -77.809 1.00 0.00 O ATOM 46306 N3 U B2155 53.547 23.733 -77.946 1.00 0.00 N ATOM 46307 C4 U B2155 54.081 22.654 -78.613 1.00 0.00 C ATOM 46308 O4 U B2155 54.266 21.581 -78.025 1.00 0.00 O ATOM 46309 C5 U B2155 54.388 22.906 -80.001 1.00 0.00 C ATOM 46310 C6 U B2155 54.148 24.109 -80.545 1.00 0.00 C ATOM 46311 P G B2156 55.881 30.257 -80.177 1.00 0.00 P ATOM 46312 O1P G B2156 54.689 31.023 -80.606 1.00 0.00 O ATOM 46313 O2P G B2156 57.189 30.897 -80.446 1.00 0.00 O ATOM 46314 O5* G B2156 55.472 30.209 -78.282 1.00 0.00 O ATOM 46315 C5* G B2156 55.106 31.182 -77.075 1.00 0.00 C ATOM 46316 C4* G B2156 53.728 31.006 -76.045 1.00 0.00 C ATOM 46317 O4* G B2156 53.568 29.564 -76.193 1.00 0.00 O ATOM 46318 C3* G B2156 53.315 31.271 -74.597 1.00 0.00 C ATOM 46319 O3* G B2156 53.536 32.169 -73.262 1.00 0.00 O ATOM 46320 C2* G B2156 52.187 30.266 -74.394 1.00 0.00 C ATOM 46321 O2* G B2156 50.996 30.711 -75.025 1.00 0.00 O ATOM 46322 C1* G B2156 52.689 29.067 -75.192 1.00 0.00 C ATOM 46323 N9 G B2156 53.527 27.905 -74.274 1.00 0.00 N ATOM 46324 C8 G B2156 54.557 27.074 -74.655 1.00 0.00 C ATOM 46325 N7 G B2156 54.887 26.179 -73.760 1.00 0.00 N ATOM 46326 C5 G B2156 54.011 26.432 -72.702 1.00 0.00 C ATOM 46327 C6 G B2156 53.891 25.791 -71.443 1.00 0.00 C ATOM 46328 O6 G B2156 54.537 24.847 -70.994 1.00 0.00 O ATOM 46329 N1 G B2156 52.873 26.372 -70.671 1.00 0.00 N ATOM 46330 C2 G B2156 52.084 27.430 -71.062 1.00 0.00 C ATOM 46331 N2 G B2156 51.169 27.837 -70.180 1.00 0.00 N ATOM 46332 N3 G B2156 52.198 28.035 -72.246 1.00 0.00 N ATOM 46333 C4 G B2156 53.181 27.485 -73.007 1.00 0.00 C ATOM 46334 P G B2157 52.809 31.483 -71.604 1.00 0.00 P ATOM 46335 O1P G B2157 53.822 30.525 -71.101 1.00 0.00 O ATOM 46336 O2P G B2157 51.479 30.912 -71.912 1.00 0.00 O ATOM 46337 O5* G B2157 52.472 32.686 -70.160 1.00 0.00 O ATOM 46338 C5* G B2157 52.373 33.042 -68.670 1.00 0.00 C ATOM 46339 C4* G B2157 51.335 32.469 -67.462 1.00 0.00 C ATOM 46340 O4* G B2157 51.539 31.142 -66.899 1.00 0.00 O ATOM 46341 C3* G B2157 50.705 33.264 -66.314 1.00 0.00 C ATOM 46342 O3* G B2157 50.039 34.651 -66.356 1.00 0.00 O ATOM 46343 C2* G B2157 49.828 32.211 -65.641 1.00 0.00 C ATOM 46344 O2* G B2157 48.652 31.979 -66.394 1.00 0.00 O ATOM 46345 C1* G B2157 50.693 30.957 -65.776 1.00 0.00 C ATOM 46346 N9 G B2157 51.683 30.613 -64.399 1.00 0.00 N ATOM 46347 C8 G B2157 53.051 30.724 -64.259 1.00 0.00 C ATOM 46348 N7 G B2157 53.500 30.324 -63.092 1.00 0.00 N ATOM 46349 C5 G B2157 52.350 29.915 -62.416 1.00 0.00 C ATOM 46350 C6 G B2157 52.202 29.385 -61.113 1.00 0.00 C ATOM 46351 O6 G B2157 53.065 29.159 -60.265 1.00 0.00 O ATOM 46352 N1 G B2157 50.859 29.106 -60.823 1.00 0.00 N ATOM 46353 C2 G B2157 49.798 29.319 -61.681 1.00 0.00 C ATOM 46354 N2 G B2157 48.590 28.986 -61.217 1.00 0.00 N ATOM 46355 N3 G B2157 49.939 29.820 -62.907 1.00 0.00 N ATOM 46356 C4 G B2157 51.238 30.091 -63.204 1.00 0.00 C ATOM 46357 P A B2158 49.423 35.198 -64.696 1.00 0.00 P ATOM 46358 O1P A B2158 50.214 36.332 -64.174 1.00 0.00 O ATOM 46359 O2P A B2158 49.267 34.044 -63.782 1.00 0.00 O ATOM 46360 O5* A B2158 47.769 35.725 -65.277 1.00 0.00 O ATOM 46361 C5* A B2158 46.628 36.611 -65.375 1.00 0.00 C ATOM 46362 C4* A B2158 46.966 37.759 -66.448 1.00 0.00 C ATOM 46363 O4* A B2158 48.162 37.652 -67.273 1.00 0.00 O ATOM 46364 C3* A B2158 46.340 39.087 -66.876 1.00 0.00 C ATOM 46365 O3* A B2158 44.779 39.438 -66.809 1.00 0.00 O ATOM 46366 C2* A B2158 47.571 39.948 -67.140 1.00 0.00 C ATOM 46367 O2* A B2158 48.151 40.385 -65.923 1.00 0.00 O ATOM 46368 C1* A B2158 48.534 38.935 -67.748 1.00 0.00 C ATOM 46369 N9 A B2158 48.539 38.895 -69.453 1.00 0.00 N ATOM 46370 C8 A B2158 47.983 37.948 -70.289 1.00 0.00 C ATOM 46371 N7 A B2158 48.319 38.086 -71.536 1.00 0.00 N ATOM 46372 C5 A B2158 49.160 39.192 -71.538 1.00 0.00 C ATOM 46373 C6 A B2158 49.851 39.851 -72.568 1.00 0.00 C ATOM 46374 N6 A B2158 49.806 39.469 -73.850 1.00 0.00 N ATOM 46375 N1 A B2158 50.595 40.919 -72.226 1.00 0.00 N ATOM 46376 C2 A B2158 50.634 41.291 -70.946 1.00 0.00 C ATOM 46377 N3 A B2158 50.032 40.757 -69.907 1.00 0.00 N ATOM 46378 C4 A B2158 49.295 39.691 -70.278 1.00 0.00 C ATOM 46379 P G B2159 43.838 41.041 -67.063 1.00 0.00 P ATOM 46380 O1P G B2159 44.149 41.667 -65.757 1.00 0.00 O ATOM 46381 O2P G B2159 42.438 41.160 -67.518 1.00 0.00 O ATOM 46382 O5* G B2159 44.827 41.615 -68.185 1.00 0.00 O ATOM 46383 C5* G B2159 46.222 41.269 -68.130 1.00 0.00 C ATOM 46384 C4* G B2159 46.939 41.811 -69.348 1.00 0.00 C ATOM 46385 O4* G B2159 46.469 41.101 -70.529 1.00 0.00 O ATOM 46386 C3* G B2159 46.675 43.282 -69.675 1.00 0.00 C ATOM 46387 O3* G B2159 47.503 44.129 -68.938 1.00 0.00 O ATOM 46388 C2* G B2159 46.964 43.333 -71.173 1.00 0.00 C ATOM 46389 O2* G B2159 48.360 43.324 -71.418 1.00 0.00 O ATOM 46390 C1* G B2159 46.422 41.986 -71.638 1.00 0.00 C ATOM 46391 N9 G B2159 45.014 42.042 -72.123 1.00 0.00 N ATOM 46392 C8 G B2159 43.863 41.596 -71.508 1.00 0.00 C ATOM 46393 N7 G B2159 42.774 41.795 -72.210 1.00 0.00 N ATOM 46394 C5 G B2159 43.235 42.420 -73.368 1.00 0.00 C ATOM 46395 C6 G B2159 42.519 42.879 -74.505 1.00 0.00 C ATOM 46396 O6 G B2159 41.313 42.834 -74.726 1.00 0.00 O ATOM 46397 N1 G B2159 43.379 43.452 -75.452 1.00 0.00 N ATOM 46398 C2 G B2159 44.750 43.565 -75.320 1.00 0.00 C ATOM 46399 N2 G B2159 45.392 44.142 -76.337 1.00 0.00 N ATOM 46400 N3 G B2159 45.417 43.133 -74.255 1.00 0.00 N ATOM 46401 C4 G B2159 44.601 42.572 -73.325 1.00 0.00 C ATOM 46402 P C B2160 46.926 45.581 -68.470 1.00 0.00 P ATOM 46403 O1P C B2160 47.788 46.159 -67.415 1.00 0.00 O ATOM 46404 O2P C B2160 45.490 45.453 -68.130 1.00 0.00 O ATOM 46405 O5* C B2160 47.089 46.420 -69.822 1.00 0.00 O ATOM 46406 C5* C B2160 48.403 46.590 -70.384 1.00 0.00 C ATOM 46407 C4* C B2160 48.310 47.301 -71.721 1.00 0.00 C ATOM 46408 O4* C B2160 47.653 46.421 -72.677 1.00 0.00 O ATOM 46409 C3* C B2160 47.456 48.570 -71.737 1.00 0.00 C ATOM 46410 O3* C B2160 48.184 49.682 -71.313 1.00 0.00 O ATOM 46411 C2* C B2160 47.049 48.659 -73.206 1.00 0.00 C ATOM 46412 O2* C B2160 48.124 49.131 -73.999 1.00 0.00 O ATOM 46413 C1* C B2160 46.849 47.188 -73.559 1.00 0.00 C ATOM 46414 N1 C B2160 45.440 46.725 -73.416 1.00 0.00 N ATOM 46415 C2 C B2160 44.521 47.132 -74.381 1.00 0.00 C ATOM 46416 O2 C B2160 44.910 47.853 -75.310 1.00 0.00 O ATOM 46417 N3 C B2160 43.232 46.721 -74.269 1.00 0.00 N ATOM 46418 C4 C B2160 42.851 45.938 -73.251 1.00 0.00 C ATOM 46419 N4 C B2160 41.583 45.565 -73.187 1.00 0.00 N ATOM 46420 C5 C B2160 43.781 45.510 -72.248 1.00 0.00 C ATOM 46421 C6 C B2160 45.065 45.933 -72.378 1.00 0.00 C ATOM 46422 P C B2161 47.407 50.856 -70.485 1.00 0.00 P ATOM 46423 O1P C B2161 48.387 51.741 -69.817 1.00 0.00 O ATOM 46424 O2P C B2161 46.385 50.246 -69.605 1.00 0.00 O ATOM 46425 O5* C B2161 46.692 51.644 -71.681 1.00 0.00 O ATOM 46426 C5* C B2161 47.505 52.242 -72.707 1.00 0.00 C ATOM 46427 C4* C B2161 46.623 52.822 -73.794 1.00 0.00 C ATOM 46428 O4* C B2161 45.959 51.729 -74.496 1.00 0.00 O ATOM 46429 C3* C B2161 45.473 53.708 -73.318 1.00 0.00 C ATOM 46430 O3* C B2161 45.890 55.018 -73.101 1.00 0.00 O ATOM 46431 C2* C B2161 44.479 53.587 -74.470 1.00 0.00 C ATOM 46432 O2* C B2161 44.889 54.376 -75.574 1.00 0.00 O ATOM 46433 C1* C B2161 44.652 52.129 -74.877 1.00 0.00 C ATOM 46434 N1 C B2161 43.682 51.204 -74.224 1.00 0.00 N ATOM 46435 C2 C B2161 42.366 51.221 -74.676 1.00 0.00 C ATOM 46436 O2 C B2161 42.058 51.996 -75.593 1.00 0.00 O ATOM 46437 N3 C B2161 41.466 50.389 -74.096 1.00 0.00 N ATOM 46438 C4 C B2161 41.835 49.565 -73.108 1.00 0.00 C ATOM 46439 N4 C B2161 40.919 48.773 -72.574 1.00 0.00 N ATOM 46440 C5 C B2161 43.185 49.532 -72.627 1.00 0.00 C ATOM 46441 C6 C B2161 44.068 50.373 -73.221 1.00 0.00 C ATOM 46442 P G B2162 46.631 56.097 -71.895 1.00 0.00 P ATOM 46443 O1P G B2162 48.104 55.980 -71.846 1.00 0.00 O ATOM 46444 O2P G B2162 45.951 56.220 -70.586 1.00 0.00 O ATOM 46445 O5* G B2162 46.048 57.312 -73.131 1.00 0.00 O ATOM 46446 C5* G B2162 45.202 57.116 -74.331 1.00 0.00 C ATOM 46447 C4* G B2162 43.611 56.948 -73.955 1.00 0.00 C ATOM 46448 O4* G B2162 43.322 57.726 -72.758 1.00 0.00 O ATOM 46449 C3* G B2162 42.380 57.164 -74.836 1.00 0.00 C ATOM 46450 O3* G B2162 42.025 56.611 -76.209 1.00 0.00 O ATOM 46451 C2* G B2162 41.250 57.215 -73.808 1.00 0.00 C ATOM 46452 O2* G B2162 40.940 55.914 -73.342 1.00 0.00 O ATOM 46453 C1* G B2162 41.923 57.953 -72.651 1.00 0.00 C ATOM 46454 N9 G B2162 41.650 59.649 -72.628 1.00 0.00 N ATOM 46455 C8 G B2162 42.423 60.663 -73.150 1.00 0.00 C ATOM 46456 N7 G B2162 41.961 61.864 -72.908 1.00 0.00 N ATOM 46457 C5 G B2162 40.800 61.633 -72.173 1.00 0.00 C ATOM 46458 C6 G B2162 39.868 62.552 -71.622 1.00 0.00 C ATOM 46459 O6 G B2162 39.876 63.779 -71.674 1.00 0.00 O ATOM 46460 N1 G B2162 38.834 61.888 -70.952 1.00 0.00 N ATOM 46461 C2 G B2162 38.716 60.516 -70.825 1.00 0.00 C ATOM 46462 N2 G B2162 37.655 60.078 -70.142 1.00 0.00 N ATOM 46463 N3 G B2162 39.588 59.655 -71.342 1.00 0.00 N ATOM 46464 C4 G B2162 40.603 60.283 -71.996 1.00 0.00 C ATOM 46465 P A B2163 40.887 57.712 -77.136 1.00 0.00 P ATOM 46466 O1P A B2163 40.598 58.950 -76.381 1.00 0.00 O ATOM 46467 O2P A B2163 39.713 57.025 -77.714 1.00 0.00 O ATOM 46468 O5* A B2163 42.192 57.916 -78.377 1.00 0.00 O ATOM 46469 C5* A B2163 43.380 57.182 -78.704 1.00 0.00 C ATOM 46470 C4* A B2163 44.317 57.994 -79.735 1.00 0.00 C ATOM 46471 O4* A B2163 44.579 59.400 -79.443 1.00 0.00 O ATOM 46472 C3* A B2163 45.642 57.493 -80.320 1.00 0.00 C ATOM 46473 O3* A B2163 46.602 56.428 -79.728 1.00 0.00 O ATOM 46474 C2* A B2163 46.123 58.712 -81.107 1.00 0.00 C ATOM 46475 O2* A B2163 45.404 58.839 -82.324 1.00 0.00 O ATOM 46476 C1* A B2163 45.683 59.856 -80.207 1.00 0.00 C ATOM 46477 N9 A B2163 46.865 60.409 -79.150 1.00 0.00 N ATOM 46478 C8 A B2163 46.721 60.815 -77.841 1.00 0.00 C ATOM 46479 N7 A B2163 47.794 61.345 -77.334 1.00 0.00 N ATOM 46480 C5 A B2163 48.717 61.295 -78.371 1.00 0.00 C ATOM 46481 C6 A B2163 50.056 61.705 -78.467 1.00 0.00 C ATOM 46482 N6 A B2163 50.725 62.277 -77.460 1.00 0.00 N ATOM 46483 N1 A B2163 50.680 61.504 -79.644 1.00 0.00 N ATOM 46484 C2 A B2163 50.007 60.934 -80.639 1.00 0.00 C ATOM 46485 N3 A B2163 48.761 60.510 -80.663 1.00 0.00 N ATOM 46486 C4 A B2163 48.157 60.724 -79.476 1.00 0.00 C ATOM 46487 P C B2164 48.151 56.183 -80.686 1.00 0.00 P ATOM 46488 O1P C B2164 48.656 57.444 -81.272 1.00 0.00 O ATOM 46489 O2P C B2164 48.017 55.045 -81.622 1.00 0.00 O ATOM 46490 O5* C B2164 49.142 55.626 -79.259 1.00 0.00 O ATOM 46491 C5* C B2164 50.020 54.470 -79.272 1.00 0.00 C ATOM 46492 C4* C B2164 50.440 54.054 -77.758 1.00 0.00 C ATOM 46493 O4* C B2164 51.110 55.132 -77.039 1.00 0.00 O ATOM 46494 C3* C B2164 49.362 53.581 -76.782 1.00 0.00 C ATOM 46495 O3* C B2164 48.676 52.253 -77.207 1.00 0.00 O ATOM 46496 C2* C B2164 50.058 53.732 -75.436 1.00 0.00 C ATOM 46497 O2* C B2164 50.989 52.682 -75.230 1.00 0.00 O ATOM 46498 C1* C B2164 50.868 55.007 -75.645 1.00 0.00 C ATOM 46499 N1 C B2164 50.099 56.440 -75.100 1.00 0.00 N ATOM 46500 C2 C B2164 50.202 56.758 -73.748 1.00 0.00 C ATOM 46501 O2 C B2164 50.820 55.990 -72.996 1.00 0.00 O ATOM 46502 N3 C B2164 49.618 57.903 -73.301 1.00 0.00 N ATOM 46503 C4 C B2164 48.960 58.707 -74.143 1.00 0.00 C ATOM 46504 N4 C B2164 48.412 59.811 -73.658 1.00 0.00 N ATOM 46505 C5 C B2164 48.843 58.396 -75.539 1.00 0.00 C ATOM 46506 C6 C B2164 49.428 57.247 -75.962 1.00 0.00 C ATOM 46507 P C B2165 47.145 52.486 -78.222 1.00 0.00 P ATOM 46508 O1P C B2165 47.245 53.723 -79.030 1.00 0.00 O ATOM 46509 O2P C B2165 45.956 52.386 -77.342 1.00 0.00 O ATOM 46510 O5* C B2165 47.188 50.998 -79.320 1.00 0.00 O ATOM 46511 C5* C B2165 46.376 50.259 -80.311 1.00 0.00 C ATOM 46512 C4* C B2165 45.366 51.185 -81.230 1.00 0.00 C ATOM 46513 O4* C B2165 45.858 52.549 -81.347 1.00 0.00 O ATOM 46514 C3* C B2165 44.794 50.881 -82.617 1.00 0.00 C ATOM 46515 O3* C B2165 43.714 49.784 -82.747 1.00 0.00 O ATOM 46516 C2* C B2165 44.202 52.230 -83.016 1.00 0.00 C ATOM 46517 O2* C B2165 42.979 52.463 -82.344 1.00 0.00 O ATOM 46518 C1* C B2165 45.222 53.203 -82.433 1.00 0.00 C ATOM 46519 N1 C B2165 46.419 53.712 -83.525 1.00 0.00 N ATOM 46520 C2 C B2165 46.109 54.761 -84.383 1.00 0.00 C ATOM 46521 O2 C B2165 44.981 55.263 -84.332 1.00 0.00 O ATOM 46522 N3 C B2165 47.059 55.192 -85.258 1.00 0.00 N ATOM 46523 C4 C B2165 48.268 54.624 -85.283 1.00 0.00 C ATOM 46524 N4 C B2165 49.157 55.085 -86.152 1.00 0.00 N ATOM 46525 C5 C B2165 48.610 53.546 -84.408 1.00 0.00 C ATOM 46526 C6 C B2165 47.646 53.125 -83.546 1.00 0.00 C ATOM 46527 P U B2166 42.926 49.569 -84.410 1.00 0.00 P ATOM 46528 O1P U B2166 41.857 48.550 -84.320 1.00 0.00 O ATOM 46529 O2P U B2166 43.965 49.325 -85.434 1.00 0.00 O ATOM 46530 O5* U B2166 42.138 51.222 -84.650 1.00 0.00 O ATOM 46531 C5* U B2166 41.164 51.786 -85.602 1.00 0.00 C ATOM 46532 C4* U B2166 40.977 53.409 -85.550 1.00 0.00 C ATOM 46533 O4* U B2166 42.191 54.130 -85.194 1.00 0.00 O ATOM 46534 C3* U B2166 40.272 54.349 -86.531 1.00 0.00 C ATOM 46535 O3* U B2166 38.741 54.019 -86.856 1.00 0.00 O ATOM 46536 C2* U B2166 40.604 55.722 -85.952 1.00 0.00 C ATOM 46537 O2* U B2166 39.810 55.994 -84.808 1.00 0.00 O ATOM 46538 C1* U B2166 42.032 55.513 -85.464 1.00 0.00 C ATOM 46539 N1 U B2166 43.229 55.982 -86.563 1.00 0.00 N ATOM 46540 C2 U B2166 43.099 57.231 -87.132 1.00 0.00 C ATOM 46541 O2 U B2166 42.119 57.933 -86.973 1.00 0.00 O ATOM 46542 N3 U B2166 44.167 57.643 -87.906 1.00 0.00 N ATOM 46543 C4 U B2166 45.325 56.931 -88.152 1.00 0.00 C ATOM 46544 O4 U B2166 46.210 57.405 -88.863 1.00 0.00 O ATOM 46545 C5 U B2166 45.365 55.636 -87.516 1.00 0.00 C ATOM 46546 C6 U B2166 44.340 55.208 -86.759 1.00 0.00 C ATOM 46547 P U B2167 37.329 55.115 -86.295 1.00 0.00 P ATOM 46548 O1P U B2167 37.289 56.367 -87.079 1.00 0.00 O ATOM 46549 O2P U B2167 37.429 55.276 -84.829 1.00 0.00 O ATOM 46550 O5* U B2167 35.767 54.074 -86.206 1.00 0.00 O ATOM 46551 C5* U B2167 34.636 54.663 -85.405 1.00 0.00 C ATOM 46552 C4* U B2167 33.944 54.179 -83.973 1.00 0.00 C ATOM 46553 O4* U B2167 32.608 53.618 -84.126 1.00 0.00 O ATOM 46554 C3* U B2167 34.500 53.482 -82.731 1.00 0.00 C ATOM 46555 O3* U B2167 35.810 53.736 -82.018 1.00 0.00 O ATOM 46556 C2* U B2167 33.253 53.357 -81.856 1.00 0.00 C ATOM 46557 O2* U B2167 32.929 54.604 -81.258 1.00 0.00 O ATOM 46558 C1* U B2167 32.172 53.070 -82.891 1.00 0.00 C ATOM 46559 N1 U B2167 31.838 51.428 -83.125 1.00 0.00 N ATOM 46560 C2 U B2167 31.379 50.721 -82.038 1.00 0.00 C ATOM 46561 O2 U B2167 31.272 51.215 -80.923 1.00 0.00 O ATOM 46562 N3 U B2167 31.047 49.404 -82.281 1.00 0.00 N ATOM 46563 C4 U B2167 31.135 48.748 -83.495 1.00 0.00 C ATOM 46564 O4 U B2167 30.807 47.569 -83.591 1.00 0.00 O ATOM 46565 C5 U B2167 31.628 49.572 -84.574 1.00 0.00 C ATOM 46566 C6 U B2167 31.957 50.857 -84.363 1.00 0.00 C ATOM 46567 P G B2168 36.132 55.146 -80.925 1.00 0.00 P ATOM 46568 O1P G B2168 37.187 54.833 -79.936 1.00 0.00 O ATOM 46569 O2P G B2168 34.941 55.842 -80.394 1.00 0.00 O ATOM 46570 O5* G B2168 36.836 55.892 -82.410 1.00 0.00 O ATOM 46571 C5* G B2168 38.130 55.591 -82.940 1.00 0.00 C ATOM 46572 C4* G B2168 38.668 53.970 -83.231 1.00 0.00 C ATOM 46573 O4* G B2168 39.994 54.236 -82.696 1.00 0.00 O ATOM 46574 C3* G B2168 38.118 52.869 -82.320 1.00 0.00 C ATOM 46575 O3* G B2168 36.929 52.035 -82.940 1.00 0.00 O ATOM 46576 C2* G B2168 39.366 52.045 -82.021 1.00 0.00 C ATOM 46577 O2* G B2168 39.709 51.231 -83.132 1.00 0.00 O ATOM 46578 C1* G B2168 40.436 53.128 -81.921 1.00 0.00 C ATOM 46579 N9 G B2168 40.745 53.666 -80.360 1.00 0.00 N ATOM 46580 C8 G B2168 40.277 54.793 -79.721 1.00 0.00 C ATOM 46581 N7 G B2168 40.844 55.035 -78.569 1.00 0.00 N ATOM 46582 C5 G B2168 41.759 53.992 -78.427 1.00 0.00 C ATOM 46583 C6 G B2168 42.677 53.714 -77.377 1.00 0.00 C ATOM 46584 O6 G B2168 42.871 54.340 -76.337 1.00 0.00 O ATOM 46585 N1 G B2168 43.417 52.555 -77.640 1.00 0.00 N ATOM 46586 C2 G B2168 43.294 51.768 -78.765 1.00 0.00 C ATOM 46587 N2 G B2168 44.093 50.699 -78.826 1.00 0.00 N ATOM 46588 N3 G B2168 42.435 52.029 -79.747 1.00 0.00 N ATOM 46589 C4 G B2168 41.708 53.154 -79.512 1.00 0.00 C ATOM 46590 P A B2169 36.947 51.248 -84.616 1.00 0.00 P ATOM 46591 O1P A B2169 36.839 49.774 -84.483 1.00 0.00 O ATOM 46592 O2P A B2169 38.054 51.735 -85.467 1.00 0.00 O ATOM 46593 O5* A B2169 35.329 51.891 -85.203 1.00 0.00 O ATOM 46594 C5* A B2169 34.101 51.490 -85.865 1.00 0.00 C ATOM 46595 C4* A B2169 33.896 51.863 -87.439 1.00 0.00 C ATOM 46596 O4* A B2169 33.872 53.261 -87.850 1.00 0.00 O ATOM 46597 C3* A B2169 34.658 51.162 -88.566 1.00 0.00 C ATOM 46598 O3* A B2169 34.830 49.648 -88.554 1.00 0.00 O ATOM 46599 C2* A B2169 34.192 51.932 -89.796 1.00 0.00 C ATOM 46600 O2* A B2169 32.882 51.541 -90.166 1.00 0.00 O ATOM 46601 C1* A B2169 34.089 53.353 -89.249 1.00 0.00 C ATOM 46602 N9 A B2169 35.456 54.312 -89.513 1.00 0.00 N ATOM 46603 C8 A B2169 35.675 55.614 -89.125 1.00 0.00 C ATOM 46604 N7 A B2169 36.889 56.028 -89.313 1.00 0.00 N ATOM 46605 C5 A B2169 37.535 54.929 -89.863 1.00 0.00 C ATOM 46606 C6 A B2169 38.854 54.717 -90.292 1.00 0.00 C ATOM 46607 N6 A B2169 39.813 55.658 -90.222 1.00 0.00 N ATOM 46608 N1 A B2169 39.159 53.507 -90.794 1.00 0.00 N ATOM 46609 C2 A B2169 38.207 52.579 -90.855 1.00 0.00 C ATOM 46610 N3 A B2169 36.945 52.658 -90.488 1.00 0.00 N ATOM 46611 C4 A B2169 36.664 53.880 -89.993 1.00 0.00 C ATOM 46612 P A B2170 33.397 48.621 -89.039 1.00 0.00 P ATOM 46613 O1P A B2170 32.136 49.083 -88.405 1.00 0.00 O ATOM 46614 O2P A B2170 33.693 47.178 -88.893 1.00 0.00 O ATOM 46615 O5* A B2170 33.568 49.153 -90.768 1.00 0.00 O ATOM 46616 C5* A B2170 34.599 49.716 -91.599 1.00 0.00 C ATOM 46617 C4* A B2170 34.155 50.012 -93.134 1.00 0.00 C ATOM 46618 O4* A B2170 35.207 50.131 -94.136 1.00 0.00 O ATOM 46619 C3* A B2170 33.066 49.198 -93.837 1.00 0.00 C ATOM 46620 O3* A B2170 32.067 48.241 -93.246 1.00 0.00 O ATOM 46621 C2* A B2170 33.158 49.712 -95.270 1.00 0.00 C ATOM 46622 O2* A B2170 32.557 50.990 -95.385 1.00 0.00 O ATOM 46623 C1* A B2170 34.663 49.913 -95.430 1.00 0.00 C ATOM 46624 N9 A B2170 35.473 48.613 -96.135 1.00 0.00 N ATOM 46625 C8 A B2170 36.730 48.591 -96.696 1.00 0.00 C ATOM 46626 N7 A B2170 37.030 47.463 -97.264 1.00 0.00 N ATOM 46627 C5 A B2170 35.901 46.676 -97.070 1.00 0.00 C ATOM 46628 C6 A B2170 35.593 45.357 -97.445 1.00 0.00 C ATOM 46629 N6 A B2170 36.435 44.563 -98.122 1.00 0.00 N ATOM 46630 N1 A B2170 34.381 44.885 -97.097 1.00 0.00 N ATOM 46631 C2 A B2170 33.553 45.681 -96.425 1.00 0.00 C ATOM 46632 N3 A B2170 33.727 46.923 -96.025 1.00 0.00 N ATOM 46633 C4 A B2170 34.947 47.369 -96.386 1.00 0.00 C ATOM 46634 P A B2171 30.510 49.064 -92.780 1.00 0.00 P ATOM 46635 O1P A B2171 30.743 50.069 -91.716 1.00 0.00 O ATOM 46636 O2P A B2171 29.435 48.085 -92.516 1.00 0.00 O ATOM 46637 O5* A B2171 30.342 49.830 -94.427 1.00 0.00 O ATOM 46638 C5* A B2171 29.548 50.532 -95.402 1.00 0.00 C ATOM 46639 C4* A B2171 30.071 50.673 -96.934 1.00 0.00 C ATOM 46640 O4* A B2171 30.330 51.993 -97.494 1.00 0.00 O ATOM 46641 C3* A B2171 30.863 49.733 -97.849 1.00 0.00 C ATOM 46642 O3* A B2171 30.530 48.211 -97.961 1.00 0.00 O ATOM 46643 C2* A B2171 30.703 50.405 -99.214 1.00 0.00 C ATOM 46644 O2* A B2171 29.414 50.153 -99.746 1.00 0.00 O ATOM 46645 C1* A B2171 30.755 51.880 -98.837 1.00 0.00 C ATOM 46646 N9 A B2171 32.277 52.585 -98.972 1.00 0.00 N ATOM 46647 C8 A B2171 32.996 53.254 -98.010 1.00 0.00 C ATOM 46648 N7 A B2171 34.073 53.826 -98.461 1.00 0.00 N ATOM 46649 C5 A B2171 34.072 53.524 -99.814 1.00 0.00 C ATOM 46650 C6 A B2171 34.955 53.838-100.855 1.00 0.00 C ATOM 46651 N6 A B2171 36.067 54.570-100.687 1.00 0.00 N ATOM 46652 N1 A B2171 34.660 53.371-102.087 1.00 0.00 N ATOM 46653 C2 A B2171 33.556 52.643-102.248 1.00 0.00 C ATOM 46654 N3 A B2171 32.659 52.284-101.353 1.00 0.00 N ATOM 46655 C4 A B2171 32.982 52.763-100.132 1.00 0.00 C ATOM 46656 P U B2172 30.256 47.077 -96.540 1.00 0.00 P ATOM 46657 O1P U B2172 28.891 47.209 -95.989 1.00 0.00 O ATOM 46658 O2P U B2172 31.361 47.171 -95.563 1.00 0.00 O ATOM 46659 O5* U B2172 30.422 45.528 -97.526 1.00 0.00 O ATOM 46660 C5* U B2172 30.987 44.200 -97.790 1.00 0.00 C ATOM 46661 C4* U B2172 29.937 42.986 -98.175 1.00 0.00 C ATOM 46662 O4* U B2172 28.554 43.425 -98.112 1.00 0.00 O ATOM 46663 C3* U B2172 30.001 42.160 -99.460 1.00 0.00 C ATOM 46664 O3* U B2172 31.177 41.274 -99.865 1.00 0.00 O ATOM 46665 C2* U B2172 28.635 41.478 -99.466 1.00 0.00 C ATOM 46666 O2* U B2172 28.601 40.405 -98.541 1.00 0.00 O ATOM 46667 C1* U B2172 27.741 42.575 -98.906 1.00 0.00 C ATOM 46668 N1 U B2172 26.973 43.511-100.065 1.00 0.00 N ATOM 46669 C2 U B2172 26.377 42.843-101.108 1.00 0.00 C ATOM 46670 O2 U B2172 26.417 41.631-101.231 1.00 0.00 O ATOM 46671 N3 U B2172 25.717 43.646-102.015 1.00 0.00 N ATOM 46672 C4 U B2172 25.604 45.022-101.971 1.00 0.00 C ATOM 46673 O4 U B2172 24.985 45.631-102.847 1.00 0.00 O ATOM 46674 C5 U B2172 26.267 45.623-100.840 1.00 0.00 C ATOM 46675 C6 U B2172 26.916 44.873 -99.937 1.00 0.00 C ATOM 46676 P A B2173 30.889 39.449 -99.969 1.00 0.00 P ATOM 46677 O1P A B2173 30.695 38.881 -98.614 1.00 0.00 O ATOM 46678 O2P A B2173 31.956 38.817-100.778 1.00 0.00 O ATOM 46679 O5* A B2173 29.239 39.452-100.762 1.00 0.00 O ATOM 46680 C5* A B2173 27.854 39.055-100.506 1.00 0.00 C ATOM 46681 C4* A B2173 26.989 39.235-101.881 1.00 0.00 C ATOM 46682 O4* A B2173 27.960 39.336-102.961 1.00 0.00 O ATOM 46683 C3* A B2173 25.936 38.269-102.417 1.00 0.00 C ATOM 46684 O3* A B2173 24.578 38.712-101.659 1.00 0.00 O ATOM 46685 C2* A B2173 25.887 38.633-103.899 1.00 0.00 C ATOM 46686 O2* A B2173 25.171 39.841-104.096 1.00 0.00 O ATOM 46687 C1* A B2173 27.354 38.937-104.186 1.00 0.00 C ATOM 46688 N9 A B2173 28.236 37.635-104.819 1.00 0.00 N ATOM 46689 C8 A B2173 29.140 36.821-104.172 1.00 0.00 C ATOM 46690 N7 A B2173 29.783 36.018-104.964 1.00 0.00 N ATOM 46691 C5 A B2173 29.281 36.312-106.223 1.00 0.00 C ATOM 46692 C6 A B2173 29.558 35.797-107.499 1.00 0.00 C ATOM 46693 N6 A B2173 30.458 34.829-107.725 1.00 0.00 N ATOM 46694 N1 A B2173 28.875 36.313-108.536 1.00 0.00 N ATOM 46695 C2 A B2173 27.980 37.275-108.309 1.00 0.00 C ATOM 46696 N3 A B2173 27.643 37.828-107.167 1.00 0.00 N ATOM 46697 C4 A B2173 28.335 37.297-106.140 1.00 0.00 C ATOM 46698 H8 A B2173 29.227 36.779-103.076 1.00 0.00 H ATOM 46699 H2 A B2173 27.445 37.669-109.323 1.00 0.00 H ATOM 46700 P C B2174 23.035 37.928-100.995 1.00 0.00 P ATOM 46701 O1P C B2174 22.853 36.472-101.188 1.00 0.00 O ATOM 46702 O2P C B2174 21.890 38.776-101.382 1.00 0.00 O ATOM 46703 O5* C B2174 23.444 38.223 -99.476 1.00 0.00 O ATOM 46704 C5* C B2174 24.208 37.242 -98.755 1.00 0.00 C ATOM 46705 C4* C B2174 24.587 37.779 -97.389 1.00 0.00 C ATOM 46706 O4* C B2174 25.531 38.872 -97.558 1.00 0.00 O ATOM 46707 C3* C B2174 23.449 38.403 -96.578 1.00 0.00 C ATOM 46708 O3* C B2174 22.726 37.433 -95.881 1.00 0.00 O ATOM 46709 C2* C B2174 24.198 39.356 -95.653 1.00 0.00 C ATOM 46710 O2* C B2174 24.828 38.647 -94.599 1.00 0.00 O ATOM 46711 C1* C B2174 25.307 39.863 -96.568 1.00 0.00 C ATOM 46712 N1 C B2174 24.972 41.138 -97.264 1.00 0.00 N ATOM 46713 C2 C B2174 24.990 42.310 -96.514 1.00 0.00 C ATOM 46714 O2 C B2174 25.279 42.245 -95.315 1.00 0.00 O ATOM 46715 N3 C B2174 24.686 43.484 -97.127 1.00 0.00 N ATOM 46716 C4 C B2174 24.378 43.510 -98.430 1.00 0.00 C ATOM 46717 N4 C B2174 24.089 44.682 -98.981 1.00 0.00 N ATOM 46718 C5 C B2174 24.353 42.318 -99.219 1.00 0.00 C ATOM 46719 C6 C B2174 24.658 41.156 -98.587 1.00 0.00 C ATOM 46720 P C B2175 21.123 37.650 -95.667 1.00 0.00 P ATOM 46721 O1P C B2175 20.485 36.383 -95.247 1.00 0.00 O ATOM 46722 O2P C B2175 20.547 38.294 -96.871 1.00 0.00 O ATOM 46723 O5* C B2175 21.122 38.686 -94.446 1.00 0.00 O ATOM 46724 C5* C B2175 21.720 38.293 -93.197 1.00 0.00 C ATOM 46725 C4* C B2175 21.722 39.461 -92.231 1.00 0.00 C ATOM 46726 O4* C B2175 22.633 40.482 -92.728 1.00 0.00 O ATOM 46727 C3* C B2175 20.390 40.198 -92.079 1.00 0.00 C ATOM 46728 O3* C B2175 19.560 39.568 -91.156 1.00 0.00 O ATOM 46729 C2* C B2175 20.842 41.581 -91.617 1.00 0.00 C ATOM 46730 O2* C B2175 21.214 41.557 -90.251 1.00 0.00 O ATOM 46731 C1* C B2175 22.124 41.770 -92.424 1.00 0.00 C ATOM 46732 N1 C B2175 21.921 42.500 -93.708 1.00 0.00 N ATOM 46733 C2 C B2175 21.699 43.873 -93.645 1.00 0.00 C ATOM 46734 O2 C B2175 21.680 44.424 -92.540 1.00 0.00 O ATOM 46735 N3 C B2175 21.512 44.556 -94.803 1.00 0.00 N ATOM 46736 C4 C B2175 21.540 43.920 -95.982 1.00 0.00 C ATOM 46737 N4 C B2175 21.352 44.631 -97.084 1.00 0.00 N ATOM 46738 C5 C B2175 21.766 42.508 -96.068 1.00 0.00 C ATOM 46739 C6 C B2175 21.951 41.845 -94.899 1.00 0.00 C ATOM 46740 P A B2176 17.944 39.602 -91.398 1.00 0.00 P ATOM 46741 O1P A B2176 17.277 38.595 -90.547 1.00 0.00 O ATOM 46742 O2P A B2176 17.665 39.505 -92.851 1.00 0.00 O ATOM 46743 O5* A B2176 17.593 41.073 -90.876 1.00 0.00 O ATOM 46744 C5* A B2176 17.873 41.411 -89.507 1.00 0.00 C ATOM 46745 C4* A B2176 17.581 42.880 -89.266 1.00 0.00 C ATOM 46746 O4* A B2176 18.545 43.681 -90.008 1.00 0.00 O ATOM 46747 C3* A B2176 16.225 43.378 -89.764 1.00 0.00 C ATOM 46748 O3* A B2176 15.215 43.131 -88.836 1.00 0.00 O ATOM 46749 C2* A B2176 16.489 44.869 -89.968 1.00 0.00 C ATOM 46750 O2* A B2176 16.505 45.548 -88.723 1.00 0.00 O ATOM 46751 C1* A B2176 17.921 44.861 -90.487 1.00 0.00 C ATOM 46752 N9 A B2176 18.016 44.861 -91.975 1.00 0.00 N ATOM 46753 C8 A B2176 18.360 43.829 -92.821 1.00 0.00 C ATOM 46754 N7 A B2176 18.350 44.155 -94.077 1.00 0.00 N ATOM 46755 C5 A B2176 17.980 45.491 -94.075 1.00 0.00 C ATOM 46756 C6 A B2176 17.786 46.422 -95.107 1.00 0.00 C ATOM 46757 N6 A B2176 17.950 46.131 -96.405 1.00 0.00 N ATOM 46758 N1 A B2176 17.418 47.669 -94.758 1.00 0.00 N ATOM 46759 C2 A B2176 17.253 47.951 -93.467 1.00 0.00 C ATOM 46760 N3 A B2176 17.403 47.169 -92.419 1.00 0.00 N ATOM 46761 C4 A B2176 17.773 45.927 -92.796 1.00 0.00 C ATOM 46762 P C B2177 13.715 42.789 -89.383 1.00 0.00 P ATOM 46763 O1P C B2177 12.896 42.206 -88.297 1.00 0.00 O ATOM 46764 O2P C B2177 13.814 41.981 -90.619 1.00 0.00 O ATOM 46765 O5* C B2177 13.181 44.256 -89.735 1.00 0.00 O ATOM 46766 C5* C B2177 13.095 45.237 -88.687 1.00 0.00 C ATOM 46767 C4* C B2177 12.689 46.579 -89.265 1.00 0.00 C ATOM 46768 O4* C B2177 13.774 47.083 -90.096 1.00 0.00 O ATOM 46769 C3* C B2177 11.483 46.562 -90.202 1.00 0.00 C ATOM 46770 O3* C B2177 10.283 46.621 -89.497 1.00 0.00 O ATOM 46771 C2* C B2177 11.725 47.806 -91.057 1.00 0.00 C ATOM 46772 O2* C B2177 11.398 48.981 -90.337 1.00 0.00 O ATOM 46773 C1* C B2177 13.243 47.784 -91.209 1.00 0.00 C ATOM 46774 N1 C B2177 13.710 47.102 -92.448 1.00 0.00 N ATOM 46775 C2 C B2177 13.551 47.773 -93.655 1.00 0.00 C ATOM 46776 O2 C B2177 13.032 48.895 -93.652 1.00 0.00 O ATOM 46777 N3 C B2177 13.971 47.166 -94.798 1.00 0.00 N ATOM 46778 C4 C B2177 14.526 45.950 -94.762 1.00 0.00 C ATOM 46779 N4 C B2177 14.920 45.405 -95.901 1.00 0.00 N ATOM 46780 C5 C B2177 14.699 45.243 -93.528 1.00 0.00 C ATOM 46781 C6 C B2177 14.273 45.864 -92.399 1.00 0.00 C ATOM 46782 P C B2178 8.984 45.828 -90.089 1.00 0.00 P ATOM 46783 O1P C B2178 7.941 45.701 -89.045 1.00 0.00 O ATOM 46784 O2P C B2178 9.424 44.563 -90.717 1.00 0.00 O ATOM 46785 O5* C B2178 8.494 46.853 -91.218 1.00 0.00 O ATOM 46786 C5* C B2178 8.106 48.184 -90.832 1.00 0.00 C ATOM 46787 C4* C B2178 7.804 49.014 -92.062 1.00 0.00 C ATOM 46788 O4* C B2178 9.041 49.233 -92.800 1.00 0.00 O ATOM 46789 C3* C B2178 6.872 48.366 -93.089 1.00 0.00 C ATOM 46790 O3* C B2178 5.534 48.555 -92.758 1.00 0.00 O ATOM 46791 C2* C B2178 7.271 49.084 -94.377 1.00 0.00 C ATOM 46792 O2* C B2178 6.726 50.392 -94.410 1.00 0.00 O ATOM 46793 C1* C B2178 8.779 49.236 -94.193 1.00 0.00 C ATOM 46794 N1 C B2178 9.569 48.138 -94.811 1.00 0.00 N ATOM 46795 C2 C B2178 9.694 48.128 -96.199 1.00 0.00 C ATOM 46796 O2 C B2178 9.143 49.025 -96.852 1.00 0.00 O ATOM 46797 N3 C B2178 10.411 47.134 -96.783 1.00 0.00 N ATOM 46798 C4 C B2178 10.990 46.185 -96.041 1.00 0.00 C ATOM 46799 N4 C B2178 11.681 45.239 -96.658 1.00 0.00 N ATOM 46800 C5 C B2178 10.875 46.176 -94.612 1.00 0.00 C ATOM 46801 C6 C B2178 10.153 47.176 -94.048 1.00 0.00 C ATOM 46802 P C B2179 4.801 47.913 -91.185 1.00 0.00 P ATOM 46803 O1P C B2179 4.478 49.041 -90.282 1.00 0.00 O ATOM 46804 O2P C B2179 5.591 46.815 -90.586 1.00 0.00 O ATOM 46805 O5* C B2179 3.266 47.265 -91.950 1.00 0.00 O ATOM 46806 C5* C B2179 2.035 46.595 -91.582 1.00 0.00 C ATOM 46807 C4* C B2179 0.881 47.566 -90.971 1.00 0.00 C ATOM 46808 O4* C B2179 -0.491 47.435 -91.437 1.00 0.00 O ATOM 46809 C3* C B2179 0.733 47.931 -89.494 1.00 0.00 C ATOM 46810 O3* C B2179 1.975 48.554 -88.840 1.00 0.00 O ATOM 46811 C2* C B2179 -0.506 48.826 -89.507 1.00 0.00 C ATOM 46812 O2* C B2179 -0.192 50.115 -90.010 1.00 0.00 O ATOM 46813 C1* C B2179 -1.366 48.139 -90.567 1.00 0.00 C ATOM 46814 N1 C B2179 -2.516 47.030 -89.946 1.00 0.00 N ATOM 46815 C2 C B2179 -3.131 47.344 -88.738 1.00 0.00 C ATOM 46816 O2 C B2179 -2.804 48.384 -88.155 1.00 0.00 O ATOM 46817 N3 C B2179 -4.069 46.494 -88.244 1.00 0.00 N ATOM 46818 C4 C B2179 -4.393 45.376 -88.909 1.00 0.00 C ATOM 46819 N4 C B2179 -5.317 44.583 -88.384 1.00 0.00 N ATOM 46820 C5 C B2179 -3.771 45.036 -90.153 1.00 0.00 C ATOM 46821 C6 C B2179 -2.836 45.897 -90.628 1.00 0.00 C ATOM 46822 P U B2180 1.838 48.664 -87.030 1.00 0.00 P ATOM 46823 O1P U B2180 0.588 49.340 -86.608 1.00 0.00 O ATOM 46824 O2P U B2180 3.076 49.158 -86.390 1.00 0.00 O ATOM 46825 O5* U B2180 1.723 46.861 -86.996 1.00 0.00 O ATOM 46826 C5* U B2180 1.320 45.605 -87.564 1.00 0.00 C ATOM 46827 C4* U B2180 0.614 44.680 -86.436 1.00 0.00 C ATOM 46828 O4* U B2180 0.589 45.290 -85.112 1.00 0.00 O ATOM 46829 C3* U B2180 -0.764 44.032 -86.567 1.00 0.00 C ATOM 46830 O3* U B2180 -1.195 43.112 -87.764 1.00 0.00 O ATOM 46831 C2* U B2180 -1.028 43.545 -85.146 1.00 0.00 C ATOM 46832 O2* U B2180 -0.279 42.373 -84.866 1.00 0.00 O ATOM 46833 C1* U B2180 -0.413 44.671 -84.318 1.00 0.00 C ATOM 46834 N1 U B2180 -1.514 45.866 -83.818 1.00 0.00 N ATOM 46835 C2 U B2180 -2.498 45.480 -82.941 1.00 0.00 C ATOM 46836 O2 U B2180 -2.633 44.331 -82.556 1.00 0.00 O ATOM 46837 N3 U B2180 -3.336 46.491 -82.508 1.00 0.00 N ATOM 46838 C4 U B2180 -3.270 47.820 -82.870 1.00 0.00 C ATOM 46839 O4 U B2180 -4.078 48.634 -82.416 1.00 0.00 O ATOM 46840 C5 U B2180 -2.205 48.127 -83.796 1.00 0.00 C ATOM 46841 C6 U B2180 -1.377 47.166 -84.235 1.00 0.00 C ATOM 46842 P U B2181 -2.867 42.315 -87.434 1.00 0.00 P ATOM 46843 O1P U B2181 -3.715 43.428 -86.946 1.00 0.00 O ATOM 46844 O2P U B2181 -2.668 41.193 -86.489 1.00 0.00 O ATOM 46845 O5* U B2181 -3.446 41.763 -88.820 1.00 0.00 O ATOM 46846 C5* U B2181 -4.833 41.979 -89.135 1.00 0.00 C ATOM 46847 C4* U B2181 -5.132 41.488 -90.536 1.00 0.00 C ATOM 46848 O4* U B2181 -4.439 42.343 -91.491 1.00 0.00 O ATOM 46849 C3* U B2181 -4.631 40.083 -90.867 1.00 0.00 C ATOM 46850 O3* U B2181 -5.530 39.106 -90.446 1.00 0.00 O ATOM 46851 C2* U B2181 -4.495 40.143 -92.388 1.00 0.00 C ATOM 46852 O2* U B2181 -5.765 40.055 -93.010 1.00 0.00 O ATOM 46853 C1* U B2181 -3.997 41.569 -92.597 1.00 0.00 C ATOM 46854 N1 U B2181 -2.514 41.678 -92.675 1.00 0.00 N ATOM 46855 C2 U B2181 -1.913 41.242 -93.831 1.00 0.00 C ATOM 46856 O2 U B2181 -2.540 40.779 -94.768 1.00 0.00 O ATOM 46857 N3 U B2181 -0.540 41.361 -93.865 1.00 0.00 N ATOM 46858 C4 U B2181 0.266 41.867 -92.865 1.00 0.00 C ATOM 46859 O4 U B2181 1.490 41.923 -93.013 1.00 0.00 O ATOM 46860 C5 U B2181 -0.455 42.299 -91.693 1.00 0.00 C ATOM 46861 C6 U B2181 -1.794 42.196 -91.631 1.00 0.00 C ATOM 46862 P U B2182 -4.947 37.672 -89.927 1.00 0.00 P ATOM 46863 O1P U B2182 -5.997 36.928 -89.193 1.00 0.00 O ATOM 46864 O2P U B2182 -3.681 37.893 -89.196 1.00 0.00 O ATOM 46865 O5* U B2182 -4.649 36.948 -91.322 1.00 0.00 O ATOM 46866 C5* U B2182 -5.737 36.717 -92.239 1.00 0.00 C ATOM 46867 C4* U B2182 -5.210 36.140 -93.534 1.00 0.00 C ATOM 46868 O4* U B2182 -4.418 37.154 -94.215 1.00 0.00 O ATOM 46869 C3* U B2182 -4.250 34.957 -93.395 1.00 0.00 C ATOM 46870 O3* U B2182 -4.939 33.753 -93.261 1.00 0.00 O ATOM 46871 C2* U B2182 -3.453 35.033 -94.696 1.00 0.00 C ATOM 46872 O2* U B2182 -4.218 34.545 -95.786 1.00 0.00 O ATOM 46873 C1* U B2182 -3.328 36.541 -94.887 1.00 0.00 C ATOM 46874 N1 U B2182 -2.067 37.110 -94.329 1.00 0.00 N ATOM 46875 C2 U B2182 -0.908 36.868 -95.026 1.00 0.00 C ATOM 46876 O2 U B2182 -0.880 36.221 -96.059 1.00 0.00 O ATOM 46877 N3 U B2182 0.239 37.412 -94.481 1.00 0.00 N ATOM 46878 C4 U B2182 0.322 38.159 -93.322 1.00 0.00 C ATOM 46879 O4 U B2182 1.406 38.591 -92.932 1.00 0.00 O ATOM 46880 C5 U B2182 -0.947 38.357 -92.659 1.00 0.00 C ATOM 46881 C6 U B2182 -2.077 37.840 -93.170 1.00 0.00 C ATOM 46882 P A B2183 -4.295 32.580 -92.325 1.00 0.00 P ATOM 46883 O1P A B2183 -5.317 31.555 -92.012 1.00 0.00 O ATOM 46884 O2P A B2183 -3.621 33.194 -91.160 1.00 0.00 O ATOM 46885 O5* A B2183 -3.202 31.965 -93.324 1.00 0.00 O ATOM 46886 C5* A B2183 -3.639 31.395 -94.570 1.00 0.00 C ATOM 46887 C4* A B2183 -2.439 30.996 -95.403 1.00 0.00 C ATOM 46888 O4* A B2183 -1.732 32.199 -95.822 1.00 0.00 O ATOM 46889 C3* A B2183 -1.370 30.173 -94.682 1.00 0.00 C ATOM 46890 O3* A B2183 -1.686 28.815 -94.675 1.00 0.00 O ATOM 46891 C2* A B2183 -0.119 30.480 -95.504 1.00 0.00 C ATOM 46892 O2* A B2183 -0.131 29.765 -96.725 1.00 0.00 O ATOM 46893 C1* A B2183 -0.335 31.952 -95.850 1.00 0.00 C ATOM 46894 N9 A B2183 0.318 32.891 -94.898 1.00 0.00 N ATOM 46895 C8 A B2183 -0.258 33.676 -93.924 1.00 0.00 C ATOM 46896 N7 A B2183 0.594 34.394 -93.255 1.00 0.00 N ATOM 46897 C5 A B2183 1.820 34.070 -93.817 1.00 0.00 C ATOM 46898 C6 A B2183 3.130 34.498 -93.544 1.00 0.00 C ATOM 46899 N6 A B2183 3.433 35.390 -92.591 1.00 0.00 N ATOM 46900 N1 A B2183 4.119 33.976 -94.291 1.00 0.00 N ATOM 46901 C2 A B2183 3.812 33.091 -95.236 1.00 0.00 C ATOM 46902 N3 A B2183 2.633 32.616 -95.579 1.00 0.00 N ATOM 46903 C4 A B2183 1.660 33.155 -94.817 1.00 0.00 C ATOM 46904 P A B2184 -1.252 27.914 -93.384 1.00 0.00 P ATOM 46905 O1P A B2184 -1.980 26.627 -93.392 1.00 0.00 O ATOM 46906 O2P A B2184 -1.385 28.724 -92.151 1.00 0.00 O ATOM 46907 O5* A B2184 0.297 27.664 -93.699 1.00 0.00 O ATOM 46908 C5* A B2184 0.658 26.970 -94.908 1.00 0.00 C ATOM 46909 C4* A B2184 2.164 26.956 -95.068 1.00 0.00 C ATOM 46910 O4* A B2184 2.626 28.315 -95.318 1.00 0.00 O ATOM 46911 C3* A B2184 2.961 26.518 -93.835 1.00 0.00 C ATOM 46912 O3* A B2184 3.059 25.129 -93.757 1.00 0.00 O ATOM 46913 C2* A B2184 4.309 27.192 -94.070 1.00 0.00 C ATOM 46914 O2* A B2184 5.057 26.492 -95.049 1.00 0.00 O ATOM 46915 C1* A B2184 3.888 28.516 -94.697 1.00 0.00 C ATOM 46916 N9 A B2184 3.745 29.626 -93.714 1.00 0.00 N ATOM 46917 C8 A B2184 2.596 30.203 -93.221 1.00 0.00 C ATOM 46918 N7 A B2184 2.813 31.158 -92.368 1.00 0.00 N ATOM 46919 C5 A B2184 4.195 31.229 -92.286 1.00 0.00 C ATOM 46920 C6 A B2184 5.061 32.048 -91.543 1.00 0.00 C ATOM 46921 N6 A B2184 4.634 33.001 -90.703 1.00 0.00 N ATOM 46922 N1 A B2184 6.381 31.853 -91.696 1.00 0.00 N ATOM 46923 C2 A B2184 6.799 30.903 -92.532 1.00 0.00 C ATOM 46924 N3 A B2184 6.089 30.081 -93.274 1.00 0.00 N ATOM 46925 C4 A B2184 4.768 30.297 -93.104 1.00 0.00 C ATOM 46926 P U B2185 1.965 24.366 -92.522 1.00 0.00 P ATOM 46927 O1P U B2185 2.175 22.908 -92.391 1.00 0.00 O ATOM 46928 O2P U B2185 0.556 24.801 -92.679 1.00 0.00 O ATOM 46929 O5* U B2185 2.904 25.315 -91.297 1.00 0.00 O ATOM 46930 C5* U B2185 4.354 25.327 -91.197 1.00 0.00 C ATOM 46931 C4* U B2185 4.876 24.114 -90.220 1.00 0.00 C ATOM 46932 O4* U B2185 4.201 24.164 -88.928 1.00 0.00 O ATOM 46933 C3* U B2185 4.713 22.658 -90.664 1.00 0.00 C ATOM 46934 O3* U B2185 5.508 22.336 -91.945 1.00 0.00 O ATOM 46935 C2* U B2185 4.820 21.905 -89.341 1.00 0.00 C ATOM 46936 O2* U B2185 6.171 21.833 -88.915 1.00 0.00 O ATOM 46937 C1* U B2185 4.106 22.858 -88.385 1.00 0.00 C ATOM 46938 N1 U B2185 2.464 22.505 -88.128 1.00 0.00 N ATOM 46939 C2 U B2185 2.100 21.180 -88.138 1.00 0.00 C ATOM 46940 O2 U B2185 2.889 20.276 -88.354 1.00 0.00 O ATOM 46941 N3 U B2185 0.763 20.930 -87.897 1.00 0.00 N ATOM 46942 C4 U B2185 -0.213 21.871 -87.647 1.00 0.00 C ATOM 46943 O4 U B2185 -1.379 21.527 -87.442 1.00 0.00 O ATOM 46944 C5 U B2185 0.267 23.234 -87.655 1.00 0.00 C ATOM 46945 C6 U B2185 1.561 23.503 -87.887 1.00 0.00 C ATOM 46946 P G B2186 6.631 20.917 -92.246 1.00 0.00 P ATOM 46947 O1P G B2186 6.671 20.683 -93.707 1.00 0.00 O ATOM 46948 O2P G B2186 6.425 19.716 -91.408 1.00 0.00 O ATOM 46949 O5* G B2186 7.962 21.678 -91.785 1.00 0.00 O ATOM 46950 C5* G B2186 9.165 21.514 -92.560 1.00 0.00 C ATOM 46951 C4* G B2186 10.257 22.415 -92.019 1.00 0.00 C ATOM 46952 O4* G B2186 9.890 23.803 -92.268 1.00 0.00 O ATOM 46953 C3* G B2186 10.479 22.358 -90.508 1.00 0.00 C ATOM 46954 O3* G B2186 11.318 21.303 -90.152 1.00 0.00 O ATOM 46955 C2* G B2186 11.100 23.726 -90.225 1.00 0.00 C ATOM 46956 O2* G B2186 12.459 23.753 -90.626 1.00 0.00 O ATOM 46957 C1* G B2186 10.334 24.616 -91.194 1.00 0.00 C ATOM 46958 N9 G B2186 9.141 25.273 -90.593 1.00 0.00 N ATOM 46959 C8 G B2186 7.804 24.983 -90.771 1.00 0.00 C ATOM 46960 N7 G B2186 6.995 25.756 -90.086 1.00 0.00 N ATOM 46961 C5 G B2186 7.856 26.616 -89.405 1.00 0.00 C ATOM 46962 C6 G B2186 7.566 27.674 -88.504 1.00 0.00 C ATOM 46963 O6 G B2186 6.473 28.076 -88.118 1.00 0.00 O ATOM 46964 N1 G B2186 8.738 28.287 -88.042 1.00 0.00 N ATOM 46965 C2 G B2186 10.023 27.929 -88.402 1.00 0.00 C ATOM 46966 N2 G B2186 11.009 28.637 -87.852 1.00 0.00 N ATOM 46967 N3 G B2186 10.294 26.934 -89.248 1.00 0.00 N ATOM 46968 C4 G B2186 9.166 26.329 -89.707 1.00 0.00 C ATOM 46969 P U B2187 11.060 20.543 -88.732 1.00 0.00 P ATOM 46970 O1P U B2187 11.787 19.252 -88.702 1.00 0.00 O ATOM 46971 O2P U B2187 9.609 20.469 -88.468 1.00 0.00 O ATOM 46972 O5* U B2187 11.745 21.573 -87.714 1.00 0.00 O ATOM 46973 C5* U B2187 13.148 21.862 -87.851 1.00 0.00 C ATOM 46974 C4* U B2187 13.553 22.946 -86.873 1.00 0.00 C ATOM 46975 O4* U B2187 12.916 24.198 -87.266 1.00 0.00 O ATOM 46976 C3* U B2187 13.098 22.741 -85.428 1.00 0.00 C ATOM 46977 O3* U B2187 13.982 21.923 -84.727 1.00 0.00 O ATOM 46978 C2* U B2187 13.070 24.170 -84.894 1.00 0.00 C ATOM 46979 O2* U B2187 14.384 24.634 -84.629 1.00 0.00 O ATOM 46980 C1* U B2187 12.568 24.945 -86.110 1.00 0.00 C ATOM 46981 N1 U B2187 11.092 25.145 -86.122 1.00 0.00 N ATOM 46982 C2 U B2187 10.581 26.077 -85.251 1.00 0.00 C ATOM 46983 O2 U B2187 11.279 26.724 -84.490 1.00 0.00 O ATOM 46984 N3 U B2187 9.211 26.237 -85.290 1.00 0.00 N ATOM 46985 C4 U B2187 8.328 25.561 -86.107 1.00 0.00 C ATOM 46986 O4 U B2187 7.119 25.790 -86.050 1.00 0.00 O ATOM 46987 C5 U B2187 8.959 24.603 -86.985 1.00 0.00 C ATOM 46988 C6 U B2187 10.290 24.427 -86.968 1.00 0.00 C ATOM 46989 P U B2188 13.385 20.927 -83.577 1.00 0.00 P ATOM 46990 O1P U B2188 14.390 19.902 -83.215 1.00 0.00 O ATOM 46991 O2P U B2188 12.067 20.415 -84.008 1.00 0.00 O ATOM 46992 O5* U B2188 13.197 21.951 -82.361 1.00 0.00 O ATOM 46993 C5* U B2188 14.349 22.639 -81.843 1.00 0.00 C ATOM 46994 C4* U B2188 13.924 23.646 -80.792 1.00 0.00 C ATOM 46995 O4* U B2188 13.166 24.710 -81.434 1.00 0.00 O ATOM 46996 C3* U B2188 12.976 23.118 -79.712 1.00 0.00 C ATOM 46997 O3* U B2188 13.673 22.490 -78.682 1.00 0.00 O ATOM 46998 C2* U B2188 12.272 24.393 -79.254 1.00 0.00 C ATOM 46999 O2* U B2188 13.119 25.164 -78.418 1.00 0.00 O ATOM 47000 C1* U B2188 12.134 25.155 -80.568 1.00 0.00 C ATOM 47001 N1 U B2188 10.830 24.938 -81.256 1.00 0.00 N ATOM 47002 C2 U B2188 9.728 25.554 -80.715 1.00 0.00 C ATOM 47003 O2 U B2188 9.783 26.260 -79.720 1.00 0.00 O ATOM 47004 N3 U B2188 8.538 25.329 -81.379 1.00 0.00 N ATOM 47005 C4 U B2188 8.362 24.554 -82.507 1.00 0.00 C ATOM 47006 O4 U B2188 7.247 24.427 -83.011 1.00 0.00 O ATOM 47007 C5 U B2188 9.578 23.946 -82.997 1.00 0.00 C ATOM 47008 C6 U B2188 10.749 24.149 -82.373 1.00 0.00 C ATOM 47009 P U B2189 12.983 21.215 -77.930 1.00 0.00 P ATOM 47010 O1P U B2189 13.995 20.471 -77.147 1.00 0.00 O ATOM 47011 O2P U B2189 12.218 20.419 -78.917 1.00 0.00 O ATOM 47012 O5* U B2189 11.972 21.962 -76.940 1.00 0.00 O ATOM 47013 C5* U B2189 12.505 22.867 -75.953 1.00 0.00 C ATOM 47014 C4* U B2189 11.373 23.551 -75.213 1.00 0.00 C ATOM 47015 O4* U B2189 10.679 24.442 -76.135 1.00 0.00 O ATOM 47016 C3* U B2189 10.267 22.633 -74.688 1.00 0.00 C ATOM 47017 O3* U B2189 10.605 22.085 -73.452 1.00 0.00 O ATOM 47018 C2* U B2189 9.074 23.584 -74.606 1.00 0.00 C ATOM 47019 O2* U B2189 9.185 24.431 -73.475 1.00 0.00 O ATOM 47020 C1* U B2189 9.292 24.455 -75.838 1.00 0.00 C ATOM 47021 N1 U B2189 8.559 23.979 -77.044 1.00 0.00 N ATOM 47022 C2 U B2189 7.200 24.181 -77.070 1.00 0.00 C ATOM 47023 O2 U B2189 6.591 24.725 -76.164 1.00 0.00 O ATOM 47024 N3 U B2189 6.554 23.728 -78.205 1.00 0.00 N ATOM 47025 C4 U B2189 7.141 23.101 -79.287 1.00 0.00 C ATOM 47026 O4 U B2189 6.458 22.737 -80.246 1.00 0.00 O ATOM 47027 C5 U B2189 8.570 22.934 -79.166 1.00 0.00 C ATOM 47028 C6 U B2189 9.221 23.365 -78.074 1.00 0.00 C ATOM 47029 P G B2190 10.096 20.575 -73.097 1.00 0.00 P ATOM 47030 O1P G B2190 10.840 20.044 -71.934 1.00 0.00 O ATOM 47031 O2P G B2190 10.130 19.744 -74.321 1.00 0.00 O ATOM 47032 O5* G B2190 8.576 20.862 -72.677 1.00 0.00 O ATOM 47033 C5* G B2190 8.313 21.728 -71.560 1.00 0.00 C ATOM 47034 C4* G B2190 6.821 21.960 -71.422 1.00 0.00 C ATOM 47035 O4* G B2190 6.359 22.740 -72.562 1.00 0.00 O ATOM 47036 C3* G B2190 5.949 20.703 -71.457 1.00 0.00 C ATOM 47037 O3* G B2190 5.864 20.103 -70.203 1.00 0.00 O ATOM 47038 C2* G B2190 4.609 21.259 -71.934 1.00 0.00 C ATOM 47039 O2* G B2190 3.943 21.938 -70.881 1.00 0.00 O ATOM 47040 C1* G B2190 5.055 22.323 -72.932 1.00 0.00 C ATOM 47041 N9 G B2190 5.108 21.835 -74.339 1.00 0.00 N ATOM 47042 C8 G B2190 6.208 21.534 -75.113 1.00 0.00 C ATOM 47043 N7 G B2190 5.912 21.126 -76.323 1.00 0.00 N ATOM 47044 C5 G B2190 4.518 21.160 -76.354 1.00 0.00 C ATOM 47045 C6 G B2190 3.619 20.830 -77.399 1.00 0.00 C ATOM 47046 O6 G B2190 3.869 20.430 -78.535 1.00 0.00 O ATOM 47047 N1 G B2190 2.288 21.010 -77.003 1.00 0.00 N ATOM 47048 C2 G B2190 1.877 21.451 -75.760 1.00 0.00 C ATOM 47049 N2 G B2190 0.558 21.556 -75.580 1.00 0.00 N ATOM 47050 N3 G B2190 2.722 21.760 -74.779 1.00 0.00 N ATOM 47051 C4 G B2190 4.020 21.594 -75.148 1.00 0.00 C ATOM 47052 P A B2191 5.754 18.477 -70.117 1.00 0.00 P ATOM 47053 O1P A B2191 6.047 18.014 -68.741 1.00 0.00 O ATOM 47054 O2P A B2191 6.577 17.870 -71.188 1.00 0.00 O ATOM 47055 O5* A B2191 4.202 18.264 -70.441 1.00 0.00 O ATOM 47056 C5* A B2191 3.221 18.855 -69.570 1.00 0.00 C ATOM 47057 C4* A B2191 1.831 18.636 -70.131 1.00 0.00 C ATOM 47058 O4* A B2191 1.689 19.409 -71.358 1.00 0.00 O ATOM 47059 C3* A B2191 1.503 17.206 -70.556 1.00 0.00 C ATOM 47060 O3* A B2191 1.076 16.435 -69.481 1.00 0.00 O ATOM 47061 C2* A B2191 0.404 17.426 -71.595 1.00 0.00 C ATOM 47062 O2* A B2191 -0.829 17.732 -70.968 1.00 0.00 O ATOM 47063 C1* A B2191 0.881 18.702 -72.282 1.00 0.00 C ATOM 47064 N9 A B2191 1.694 18.456 -73.508 1.00 0.00 N ATOM 47065 C8 A B2191 3.053 18.586 -73.688 1.00 0.00 C ATOM 47066 N7 A B2191 3.456 18.291 -74.885 1.00 0.00 N ATOM 47067 C5 A B2191 2.292 17.937 -75.554 1.00 0.00 C ATOM 47068 C6 A B2191 2.046 17.520 -76.871 1.00 0.00 C ATOM 47069 N6 A B2191 3.009 17.381 -77.795 1.00 0.00 N ATOM 47070 N1 A B2191 0.771 17.250 -77.208 1.00 0.00 N ATOM 47071 C2 A B2191 -0.178 17.391 -76.286 1.00 0.00 C ATOM 47072 N3 A B2191 -0.071 17.772 -75.030 1.00 0.00 N ATOM 47073 C4 A B2191 1.215 18.036 -74.720 1.00 0.00 C ATOM 47074 P U B2192 1.454 14.846 -69.451 1.00 0.00 P ATOM 47075 O1P U B2192 1.246 14.296 -68.094 1.00 0.00 O ATOM 47076 O2P U B2192 2.804 14.652 -70.026 1.00 0.00 O ATOM 47077 O5* U B2192 0.352 14.257 -70.450 1.00 0.00 O ATOM 47078 C5* U B2192 -1.041 14.419 -70.125 1.00 0.00 C ATOM 47079 C4* U B2192 -1.902 13.902 -71.260 1.00 0.00 C ATOM 47080 O4* U B2192 -1.729 14.771 -72.419 1.00 0.00 O ATOM 47081 C3* U B2192 -1.544 12.514 -71.788 1.00 0.00 C ATOM 47082 O3* U B2192 -2.131 11.506 -71.022 1.00 0.00 O ATOM 47083 C2* U B2192 -2.089 12.563 -73.213 1.00 0.00 C ATOM 47084 O2* U B2192 -3.497 12.418 -73.219 1.00 0.00 O ATOM 47085 C1* U B2192 -1.785 14.003 -73.609 1.00 0.00 C ATOM 47086 N1 U B2192 -0.490 14.169 -74.325 1.00 0.00 N ATOM 47087 C2 U B2192 -0.438 13.742 -75.631 1.00 0.00 C ATOM 47088 O2 U B2192 -1.391 13.245 -76.204 1.00 0.00 O ATOM 47089 N3 U B2192 0.780 13.912 -76.261 1.00 0.00 N ATOM 47090 C4 U B2192 1.920 14.459 -75.708 1.00 0.00 C ATOM 47091 O4 U B2192 2.953 14.559 -76.375 1.00 0.00 O ATOM 47092 C5 U B2192 1.766 14.876 -74.337 1.00 0.00 C ATOM 47093 C6 U B2192 0.594 14.723 -73.698 1.00 0.00 C ATOM 47094 P G B2193 -1.326 10.102 -70.819 1.00 0.00 P ATOM 47095 O1P G B2193 -1.920 9.327 -69.706 1.00 0.00 O ATOM 47096 O2P G B2193 0.125 10.375 -70.712 1.00 0.00 O ATOM 47097 O5* G B2193 -1.639 9.375 -72.210 1.00 0.00 O ATOM 47098 C5* G B2193 -3.006 9.094 -72.562 1.00 0.00 C ATOM 47099 C4* G B2193 -3.075 8.523 -73.961 1.00 0.00 C ATOM 47100 O4* G B2193 -2.698 9.558 -74.915 1.00 0.00 O ATOM 47101 C3* G B2193 -2.107 7.377 -74.263 1.00 0.00 C ATOM 47102 O3* G B2193 -2.622 6.150 -73.848 1.00 0.00 O ATOM 47103 C2* G B2193 -1.961 7.473 -75.780 1.00 0.00 C ATOM 47104 O2* G B2193 -3.104 6.943 -76.429 1.00 0.00 O ATOM 47105 C1* G B2193 -1.987 8.981 -75.996 1.00 0.00 C ATOM 47106 N9 G B2193 -0.634 9.604 -76.040 1.00 0.00 N ATOM 47107 C8 G B2193 0.002 10.374 -75.092 1.00 0.00 C ATOM 47108 N7 G B2193 1.203 10.771 -75.444 1.00 0.00 N ATOM 47109 C5 G B2193 1.374 10.223 -76.714 1.00 0.00 C ATOM 47110 C6 G B2193 2.474 10.308 -77.602 1.00 0.00 C ATOM 47111 O6 G B2193 3.546 10.891 -77.452 1.00 0.00 O ATOM 47112 N1 G B2193 2.228 9.607 -78.791 1.00 0.00 N ATOM 47113 C2 G B2193 1.069 8.912 -79.080 1.00 0.00 C ATOM 47114 N2 G B2193 1.029 8.307 -80.269 1.00 0.00 N ATOM 47115 N3 G B2193 0.036 8.832 -78.243 1.00 0.00 N ATOM 47116 C4 G B2193 0.259 9.510 -77.086 1.00 0.00 C ATOM 47117 P U B2194 -1.590 5.013 -73.298 1.00 0.00 P ATOM 47118 O1P U B2194 -2.333 3.952 -72.577 1.00 0.00 O ATOM 47119 O2P U B2194 -0.498 5.664 -72.538 1.00 0.00 O ATOM 47120 O5* U B2194 -1.018 4.432 -74.676 1.00 0.00 O ATOM 47121 C5* U B2194 -1.933 3.832 -75.613 1.00 0.00 C ATOM 47122 C4* U B2194 -1.201 3.467 -76.889 1.00 0.00 C ATOM 47123 O4* U B2194 -0.794 4.691 -77.566 1.00 0.00 O ATOM 47124 C3* U B2194 0.106 2.694 -76.711 1.00 0.00 C ATOM 47125 O3* U B2194 -0.124 1.326 -76.576 1.00 0.00 O ATOM 47126 C2* U B2194 0.859 3.040 -77.992 1.00 0.00 C ATOM 47127 O2* U B2194 0.342 2.311 -79.092 1.00 0.00 O ATOM 47128 C1* U B2194 0.459 4.497 -78.201 1.00 0.00 C ATOM 47129 N1 U B2194 1.425 5.471 -77.619 1.00 0.00 N ATOM 47130 C2 U B2194 2.613 5.646 -78.289 1.00 0.00 C ATOM 47131 O2 U B2194 2.893 5.045 -79.310 1.00 0.00 O ATOM 47132 N3 U B2194 3.482 6.557 -77.722 1.00 0.00 N ATOM 47133 C4 U B2194 3.267 7.291 -76.573 1.00 0.00 C ATOM 47134 O4 U B2194 4.124 8.076 -76.161 1.00 0.00 O ATOM 47135 C5 U B2194 1.993 7.040 -75.943 1.00 0.00 C ATOM 47136 C6 U B2194 1.127 6.157 -76.472 1.00 0.00 C ATOM 47137 P U B2195 0.863 0.456 -75.609 1.00 0.00 P ATOM 47138 O1P U B2195 0.256 -0.859 -75.308 1.00 0.00 O ATOM 47139 O2P U B2195 1.248 1.273 -74.436 1.00 0.00 O ATOM 47140 O5* U B2195 2.128 0.260 -76.571 1.00 0.00 O ATOM 47141 C5* U B2195 1.950 -0.434 -77.819 1.00 0.00 C ATOM 47142 C4* U B2195 3.238 -0.395 -78.620 1.00 0.00 C ATOM 47143 O4* U B2195 3.491 0.977 -79.037 1.00 0.00 O ATOM 47144 C3* U B2195 4.506 -0.789 -77.862 1.00 0.00 C ATOM 47145 O3* U B2195 4.683 -2.170 -77.843 1.00 0.00 O ATOM 47146 C2* U B2195 5.591 -0.068 -78.657 1.00 0.00 C ATOM 47147 O2* U B2195 5.863 -0.749 -79.871 1.00 0.00 O ATOM 47148 C1* U B2195 4.888 1.234 -79.030 1.00 0.00 C ATOM 47149 N1 U B2195 5.144 2.349 -78.075 1.00 0.00 N ATOM 47150 C2 U B2195 6.383 2.940 -78.123 1.00 0.00 C ATOM 47151 O2 U B2195 7.253 2.591 -78.903 1.00 0.00 O ATOM 47152 N3 U B2195 6.585 3.969 -77.225 1.00 0.00 N ATOM 47153 C4 U B2195 5.674 4.441 -76.304 1.00 0.00 C ATOM 47154 O4 U B2195 5.971 5.370 -75.547 1.00 0.00 O ATOM 47155 C5 U B2195 4.401 3.757 -76.327 1.00 0.00 C ATOM 47156 C6 U B2195 4.180 2.754 -77.191 1.00 0.00 C ATOM 47157 P C B2196 5.368 -2.857 -76.530 1.00 0.00 P ATOM 47158 O1P C B2196 5.137 -4.318 -76.536 1.00 0.00 O ATOM 47159 O2P C B2196 4.928 -2.139 -75.314 1.00 0.00 O ATOM 47160 O5* C B2196 6.914 -2.554 -76.808 1.00 0.00 O ATOM 47161 C5* C B2196 7.527 -3.085 -77.996 1.00 0.00 C ATOM 47162 C4* C B2196 8.951 -2.573 -78.118 1.00 0.00 C ATOM 47163 O4* C B2196 8.915 -1.140 -78.377 1.00 0.00 O ATOM 47164 C3* C B2196 9.814 -2.700 -76.862 1.00 0.00 C ATOM 47165 O3* C B2196 10.389 -3.966 -76.763 1.00 0.00 O ATOM 47166 C2* C B2196 10.848 -1.596 -77.074 1.00 0.00 C ATOM 47167 O2* C B2196 11.821 -1.997 -78.029 1.00 0.00 O ATOM 47168 C1* C B2196 10.009 -0.507 -77.731 1.00 0.00 C ATOM 47169 N1 C B2196 9.461 0.487 -76.767 1.00 0.00 N ATOM 47170 C2 C B2196 10.342 1.422 -76.230 1.00 0.00 C ATOM 47171 O2 C B2196 11.528 1.387 -76.572 1.00 0.00 O ATOM 47172 N3 C B2196 9.862 2.338 -75.349 1.00 0.00 N ATOM 47173 C4 C B2196 8.568 2.340 -75.004 1.00 0.00 C ATOM 47174 N4 C B2196 8.150 3.255 -74.142 1.00 0.00 N ATOM 47175 C5 C B2196 7.645 1.389 -75.546 1.00 0.00 C ATOM 47176 C6 C B2196 8.145 0.481 -76.423 1.00 0.00 C ATOM 47177 P U B2197 10.831 -4.980 -78.251 1.00 0.00 P ATOM 47178 O1P U B2197 10.133 -4.504 -79.464 1.00 0.00 O ATOM 47179 O2P U B2197 10.720 -6.427 -77.970 1.00 0.00 O ATOM 47180 O5* U B2197 12.573 -4.430 -78.276 1.00 0.00 O ATOM 47181 C5* U B2197 13.882 -4.084 -78.770 1.00 0.00 C ATOM 47182 C4* U B2197 13.987 -3.734 -80.360 1.00 0.00 C ATOM 47183 O4* U B2197 12.774 -3.368 -81.076 1.00 0.00 O ATOM 47184 C3* U B2197 15.048 -2.794 -80.932 1.00 0.00 C ATOM 47185 O3* U B2197 16.512 -3.154 -80.657 1.00 0.00 O ATOM 47186 C2* U B2197 14.626 -2.690 -82.394 1.00 0.00 C ATOM 47187 O2* U B2197 14.991 -3.861 -83.109 1.00 0.00 O ATOM 47188 C1* U B2197 13.105 -2.696 -82.278 1.00 0.00 C ATOM 47189 N1 U B2197 12.391 -1.155 -82.243 1.00 0.00 N ATOM 47190 C2 U B2197 12.391 -0.438 -83.418 1.00 0.00 C ATOM 47191 O2 U B2197 12.935 -0.834 -84.433 1.00 0.00 O ATOM 47192 N3 U B2197 11.734 0.774 -83.371 1.00 0.00 N ATOM 47193 C4 U B2197 11.086 1.317 -82.279 1.00 0.00 C ATOM 47194 O4 U B2197 10.534 2.414 -82.357 1.00 0.00 O ATOM 47195 C5 U B2197 11.142 0.491 -81.096 1.00 0.00 C ATOM 47196 C6 U B2197 11.777 -0.691 -81.111 1.00 0.00 C ATOM 47197 P A B2198 17.727 -1.915 -81.238 1.00 0.00 P ATOM 47198 O1P A B2198 19.102 -2.277 -80.833 1.00 0.00 O ATOM 47199 O2P A B2198 17.302 -0.533 -80.913 1.00 0.00 O ATOM 47200 O5* A B2198 17.409 -2.324 -82.983 1.00 0.00 O ATOM 47201 C5* A B2198 17.407 -2.218 -84.418 1.00 0.00 C ATOM 47202 C4* A B2198 18.868 -1.861 -85.047 1.00 0.00 C ATOM 47203 O4* A B2198 19.369 -0.509 -84.851 1.00 0.00 O ATOM 47204 C3* A B2198 20.085 -2.748 -84.776 1.00 0.00 C ATOM 47205 O3* A B2198 19.944 -4.195 -85.246 1.00 0.00 O ATOM 47206 C2* A B2198 21.224 -1.911 -85.344 1.00 0.00 C ATOM 47207 O2* A B2198 21.243 -1.976 -86.761 1.00 0.00 O ATOM 47208 C1* A B2198 20.784 -0.499 -84.975 1.00 0.00 C ATOM 47209 N9 A B2198 21.437 0.087 -83.540 1.00 0.00 N ATOM 47210 C8 A B2198 20.778 0.477 -82.400 1.00 0.00 C ATOM 47211 N7 A B2198 21.543 1.045 -81.510 1.00 0.00 N ATOM 47212 C5 A B2198 22.798 1.034 -82.097 1.00 0.00 C ATOM 47213 C6 A B2198 24.052 1.494 -81.663 1.00 0.00 C ATOM 47214 N6 A B2198 24.250 2.082 -80.477 1.00 0.00 N ATOM 47215 N1 A B2198 25.097 1.329 -82.498 1.00 0.00 N ATOM 47216 C2 A B2198 24.891 0.744 -83.677 1.00 0.00 C ATOM 47217 N3 A B2198 23.772 0.275 -84.187 1.00 0.00 N ATOM 47218 C4 A B2198 22.744 0.454 -83.336 1.00 0.00 C ATOM 47219 P A B2199 19.919 -5.441 -83.917 1.00 0.00 P ATOM 47220 O1P A B2199 18.624 -6.153 -83.818 1.00 0.00 O ATOM 47221 O2P A B2199 20.467 -4.920 -82.647 1.00 0.00 O ATOM 47222 O5* A B2199 21.135 -6.389 -84.876 1.00 0.00 O ATOM 47223 C5* A B2199 22.553 -6.429 -85.054 1.00 0.00 C ATOM 47224 C4* A B2199 23.301 -6.728 -83.653 1.00 0.00 C ATOM 47225 O4* A B2199 23.467 -5.635 -82.705 1.00 0.00 O ATOM 47226 C3* A B2199 22.962 -7.931 -82.771 1.00 0.00 C ATOM 47227 O3* A B2199 22.847 -9.292 -83.520 1.00 0.00 O ATOM 47228 C2* A B2199 23.819 -7.674 -81.537 1.00 0.00 C ATOM 47229 O2* A B2199 25.176 -7.988 -81.789 1.00 0.00 O ATOM 47230 C1* A B2199 23.733 -6.155 -81.410 1.00 0.00 C ATOM 47231 N9 A B2199 22.533 -5.604 -80.361 1.00 0.00 N ATOM 47232 C8 A B2199 21.526 -6.323 -79.760 1.00 0.00 C ATOM 47233 N7 A B2199 20.844 -5.643 -78.883 1.00 0.00 N ATOM 47234 C5 A B2199 21.436 -4.390 -78.901 1.00 0.00 C ATOM 47235 C6 A B2199 21.171 -3.208 -78.188 1.00 0.00 C ATOM 47236 N6 A B2199 20.191 -3.099 -77.277 1.00 0.00 N ATOM 47237 N1 A B2199 21.948 -2.140 -78.447 1.00 0.00 N ATOM 47238 C2 A B2199 22.916 -2.257 -79.350 1.00 0.00 C ATOM 47239 N3 A B2199 23.257 -3.301 -80.076 1.00 0.00 N ATOM 47240 C4 A B2199 22.464 -4.357 -79.798 1.00 0.00 C ATOM 47241 P C B2200 22.169 -10.937 -82.969 1.00 0.00 P ATOM 47242 O1P C B2200 22.986 -11.910 -83.731 1.00 0.00 O ATOM 47243 O2P C B2200 20.708 -11.154 -83.010 1.00 0.00 O ATOM 47244 O5* C B2200 22.668 -10.884 -81.449 1.00 0.00 O ATOM 47245 C5* C B2200 23.504 -9.791 -81.028 1.00 0.00 C ATOM 47246 C4* C B2200 23.747 -9.873 -79.534 1.00 0.00 C ATOM 47247 O4* C B2200 22.495 -9.619 -78.836 1.00 0.00 O ATOM 47248 C3* C B2200 24.194 -11.238 -79.007 1.00 0.00 C ATOM 47249 O3* C B2200 25.570 -11.409 -79.138 1.00 0.00 O ATOM 47250 C2* C B2200 23.743 -11.179 -77.549 1.00 0.00 C ATOM 47251 O2* C B2200 24.622 -10.372 -76.784 1.00 0.00 O ATOM 47252 C1* C B2200 22.428 -10.416 -77.663 1.00 0.00 C ATOM 47253 N1 C B2200 21.233 -11.300 -77.775 1.00 0.00 N ATOM 47254 C2 C B2200 20.804 -11.961 -76.629 1.00 0.00 C ATOM 47255 O2 C B2200 21.429 -11.791 -75.574 1.00 0.00 O ATOM 47256 N3 C B2200 19.718 -12.771 -76.710 1.00 0.00 N ATOM 47257 C4 C B2200 19.070 -12.928 -77.870 1.00 0.00 C ATOM 47258 N4 C B2200 18.016 -13.725 -77.899 1.00 0.00 N ATOM 47259 C5 C B2200 19.495 -12.258 -79.062 1.00 0.00 C ATOM 47260 C6 C B2200 20.583 -11.454 -78.959 1.00 0.00 C ATOM 47261 P G B2201 26.147 -12.908 -79.448 1.00 0.00 P ATOM 47262 O1P G B2201 27.552 -12.830 -79.910 1.00 0.00 O ATOM 47263 O2P G B2201 25.211 -13.618 -80.345 1.00 0.00 O ATOM 47264 O5* G B2201 26.094 -13.556 -77.986 1.00 0.00 O ATOM 47265 C5* G B2201 26.864 -12.956 -76.926 1.00 0.00 C ATOM 47266 C4* G B2201 26.569 -13.651 -75.612 1.00 0.00 C ATOM 47267 O4* G B2201 25.196 -13.361 -75.225 1.00 0.00 O ATOM 47268 C3* G B2201 26.629 -15.178 -75.639 1.00 0.00 C ATOM 47269 O3* G B2201 27.931 -15.644 -75.471 1.00 0.00 O ATOM 47270 C2* G B2201 25.717 -15.553 -74.472 1.00 0.00 C ATOM 47271 O2* G B2201 26.374 -15.349 -73.235 1.00 0.00 O ATOM 47272 C1* G B2201 24.627 -14.490 -74.581 1.00 0.00 C ATOM 47273 N9 G B2201 23.443 -14.922 -75.371 1.00 0.00 N ATOM 47274 C8 G B2201 23.062 -14.556 -76.642 1.00 0.00 C ATOM 47275 N7 G B2201 21.953 -15.123 -77.055 1.00 0.00 N ATOM 47276 C5 G B2201 21.573 -15.924 -75.979 1.00 0.00 C ATOM 47277 C6 G B2201 20.452 -16.779 -75.828 1.00 0.00 C ATOM 47278 O6 G B2201 19.546 -17.014 -76.626 1.00 0.00 O ATOM 47279 N1 G B2201 20.450 -17.405 -74.574 1.00 0.00 N ATOM 47280 C2 G B2201 21.407 -17.229 -73.593 1.00 0.00 C ATOM 47281 N2 G B2201 21.225 -17.918 -72.466 1.00 0.00 N ATOM 47282 N3 G B2201 22.458 -16.425 -73.735 1.00 0.00 N ATOM 47283 C4 G B2201 22.475 -15.809 -74.946 1.00 0.00 C ATOM 47284 P U B2202 28.383 -17.011 -76.242 1.00 0.00 P ATOM 47285 O1P U B2202 29.860 -17.136 -76.243 1.00 0.00 O ATOM 47286 O2P U B2202 27.729 -17.066 -77.569 1.00 0.00 O ATOM 47287 O5* U B2202 27.747 -18.122 -75.278 1.00 0.00 O ATOM 47288 C5* U B2202 28.179 -18.184 -73.907 1.00 0.00 C ATOM 47289 C4* U B2202 27.361 -19.216 -73.154 1.00 0.00 C ATOM 47290 O4* U B2202 25.987 -18.741 -73.047 1.00 0.00 O ATOM 47291 C3* U B2202 27.231 -20.580 -73.828 1.00 0.00 C ATOM 47292 O3* U B2202 28.326 -21.396 -73.549 1.00 0.00 O ATOM 47293 C2* U B2202 25.932 -21.110 -73.225 1.00 0.00 C ATOM 47294 O2* U B2202 26.143 -21.564 -71.899 1.00 0.00 O ATOM 47295 C1* U B2202 25.095 -19.839 -73.132 1.00 0.00 C ATOM 47296 N1 U B2202 24.207 -19.622 -74.308 1.00 0.00 N ATOM 47297 C2 U B2202 23.091 -20.419 -74.407 1.00 0.00 C ATOM 47298 O2 U B2202 22.811 -21.274 -73.584 1.00 0.00 O ATOM 47299 N3 U B2202 22.294 -20.188 -75.511 1.00 0.00 N ATOM 47300 C4 U B2202 22.514 -19.250 -76.499 1.00 0.00 C ATOM 47301 O4 U B2202 21.727 -19.135 -77.443 1.00 0.00 O ATOM 47302 C5 U B2202 23.709 -18.464 -76.309 1.00 0.00 C ATOM 47303 C6 U B2202 24.505 -18.668 -75.243 1.00 0.00 C ATOM 47304 P U B2203 29.079 -21.895 -71.924 1.00 0.00 P ATOM 47305 O1P U B2203 29.820 -23.165 -72.094 1.00 0.00 O ATOM 47306 O2P U B2203 28.177 -21.829 -70.748 1.00 0.00 O ATOM 47307 O5* U B2203 30.212 -20.483 -71.973 1.00 0.00 O ATOM 47308 C5* U B2203 30.751 -19.376 -72.676 1.00 0.00 C ATOM 47309 C4* U B2203 31.179 -19.696 -74.204 1.00 0.00 C ATOM 47310 O4* U B2203 32.367 -19.021 -74.706 1.00 0.00 O ATOM 47311 C3* U B2203 31.203 -21.057 -74.902 1.00 0.00 C ATOM 47312 O3* U B2203 30.109 -22.134 -74.673 1.00 0.00 O ATOM 47313 C2* U B2203 31.762 -20.697 -76.279 1.00 0.00 C ATOM 47314 O2* U B2203 30.768 -20.080 -77.079 1.00 0.00 O ATOM 47315 C1* U B2203 32.779 -19.616 -75.925 1.00 0.00 C ATOM 47316 N1 U B2203 34.361 -20.174 -75.736 1.00 0.00 N ATOM 47317 C2 U B2203 35.073 -20.439 -76.884 1.00 0.00 C ATOM 47318 O2 U B2203 34.596 -20.331 -77.998 1.00 0.00 O ATOM 47319 N3 U B2203 36.383 -20.835 -76.687 1.00 0.00 N ATOM 47320 C4 U B2203 37.020 -20.988 -75.476 1.00 0.00 C ATOM 47321 O4 U B2203 38.199 -21.353 -75.429 1.00 0.00 O ATOM 47322 C5 U B2203 36.195 -20.689 -74.332 1.00 0.00 C ATOM 47323 C6 U B2203 34.917 -20.302 -74.492 1.00 0.00 C ATOM 47324 P G B2204 28.768 -22.250 -75.966 1.00 0.00 P ATOM 47325 O1P G B2204 29.381 -22.964 -77.106 1.00 0.00 O ATOM 47326 O2P G B2204 28.267 -20.887 -76.253 1.00 0.00 O ATOM 47327 O5* G B2204 27.591 -23.139 -75.343 1.00 0.00 O ATOM 47328 C5* G B2204 27.434 -23.186 -73.914 1.00 0.00 C ATOM 47329 C4* G B2204 26.192 -23.978 -73.555 1.00 0.00 C ATOM 47330 O4* G B2204 25.017 -23.235 -73.989 1.00 0.00 O ATOM 47331 C3* G B2204 26.047 -25.336 -74.241 1.00 0.00 C ATOM 47332 O3* G B2204 26.750 -26.330 -73.564 1.00 0.00 O ATOM 47333 C2* G B2204 24.535 -25.552 -74.201 1.00 0.00 C ATOM 47334 O2* G B2204 24.117 -25.940 -72.903 1.00 0.00 O ATOM 47335 C1* G B2204 24.016 -24.137 -74.431 1.00 0.00 C ATOM 47336 N9 G B2204 23.721 -23.836 -75.859 1.00 0.00 N ATOM 47337 C8 G B2204 24.428 -23.054 -76.749 1.00 0.00 C ATOM 47338 N7 G B2204 23.893 -22.989 -77.945 1.00 0.00 N ATOM 47339 C5 G B2204 22.752 -23.785 -77.841 1.00 0.00 C ATOM 47340 C6 G B2204 21.767 -24.099 -78.813 1.00 0.00 C ATOM 47341 O6 G B2204 21.696 -23.735 -79.983 1.00 0.00 O ATOM 47342 N1 G B2204 20.779 -24.940 -78.284 1.00 0.00 N ATOM 47343 C2 G B2204 20.744 -25.415 -76.985 1.00 0.00 C ATOM 47344 N2 G B2204 19.716 -26.206 -76.679 1.00 0.00 N ATOM 47345 N3 G B2204 21.671 -25.120 -76.077 1.00 0.00 N ATOM 47346 C4 G B2204 22.637 -24.303 -76.573 1.00 0.00 C ATOM 47347 P A B2205 27.427 -27.538 -74.428 1.00 0.00 P ATOM 47348 O1P A B2205 28.416 -28.267 -73.600 1.00 0.00 O ATOM 47349 O2P A B2205 27.932 -27.002 -75.710 1.00 0.00 O ATOM 47350 O5* A B2205 26.154 -28.468 -74.690 1.00 0.00 O ATOM 47351 C5* A B2205 25.448 -29.025 -73.565 1.00 0.00 C ATOM 47352 C4* A B2205 24.212 -29.762 -74.040 1.00 0.00 C ATOM 47353 O4* A B2205 23.264 -28.797 -74.578 1.00 0.00 O ATOM 47354 C3* A B2205 24.425 -30.746 -75.190 1.00 0.00 C ATOM 47355 O3* A B2205 24.862 -31.987 -74.728 1.00 0.00 O ATOM 47356 C2* A B2205 23.035 -30.810 -75.820 1.00 0.00 C ATOM 47357 O2* A B2205 22.162 -31.604 -75.036 1.00 0.00 O ATOM 47358 C1* A B2205 22.568 -29.364 -75.677 1.00 0.00 C ATOM 47359 N9 A B2205 22.842 -28.525 -76.878 1.00 0.00 N ATOM 47360 C8 A B2205 23.800 -27.549 -77.052 1.00 0.00 C ATOM 47361 N7 A B2205 23.780 -26.997 -78.228 1.00 0.00 N ATOM 47362 C5 A B2205 22.742 -27.645 -78.884 1.00 0.00 C ATOM 47363 C6 A B2205 22.208 -27.513 -80.177 1.00 0.00 C ATOM 47364 N6 A B2205 22.673 -26.640 -81.080 1.00 0.00 N ATOM 47365 N1 A B2205 21.178 -28.312 -80.507 1.00 0.00 N ATOM 47366 C2 A B2205 20.721 -29.175 -79.605 1.00 0.00 C ATOM 47367 N3 A B2205 21.135 -29.389 -78.375 1.00 0.00 N ATOM 47368 C4 A B2205 22.168 -28.576 -78.068 1.00 0.00 C ATOM 47369 P C B2206 25.888 -32.855 -75.653 1.00 0.00 P ATOM 47370 O1P C B2206 26.512 -33.933 -74.854 1.00 0.00 O ATOM 47371 O2P C B2206 26.827 -31.935 -76.335 1.00 0.00 O ATOM 47372 O5* C B2206 24.878 -33.484 -76.719 1.00 0.00 O ATOM 47373 C5* C B2206 23.819 -34.343 -76.253 1.00 0.00 C ATOM 47374 C4* C B2206 22.912 -34.724 -77.406 1.00 0.00 C ATOM 47375 O4* C B2206 22.200 -33.535 -77.856 1.00 0.00 O ATOM 47376 C3* C B2206 23.618 -35.229 -78.668 1.00 0.00 C ATOM 47377 O3* C B2206 23.904 -36.591 -78.581 1.00 0.00 O ATOM 47378 C2* C B2206 22.593 -34.911 -79.756 1.00 0.00 C ATOM 47379 O2* C B2206 21.529 -35.847 -79.733 1.00 0.00 O ATOM 47380 C1* C B2206 22.026 -33.582 -79.265 1.00 0.00 C ATOM 47381 N1 C B2206 22.702 -32.390 -79.851 1.00 0.00 N ATOM 47382 C2 C B2206 22.427 -32.075 -81.177 1.00 0.00 C ATOM 47383 O2 C B2206 21.638 -32.788 -81.807 1.00 0.00 O ATOM 47384 N3 C B2206 23.034 -30.991 -81.730 1.00 0.00 N ATOM 47385 C4 C B2206 23.882 -30.245 -81.012 1.00 0.00 C ATOM 47386 N4 C B2206 24.446 -29.199 -81.597 1.00 0.00 N ATOM 47387 C5 C B2206 24.178 -30.554 -79.645 1.00 0.00 C ATOM 47388 C6 C B2206 23.564 -31.638 -79.114 1.00 0.00 C ATOM 47389 P C B2207 25.262 -37.152 -79.291 1.00 0.00 P ATOM 47390 O1P C B2207 25.577 -38.506 -78.789 1.00 0.00 O ATOM 47391 O2P C B2207 26.341 -36.147 -79.158 1.00 0.00 O ATOM 47392 O5* C B2207 24.789 -37.239 -80.817 1.00 0.00 O ATOM 47393 C5* C B2207 23.682 -38.094 -81.159 1.00 0.00 C ATOM 47394 C4* C B2207 23.325 -37.925 -82.621 1.00 0.00 C ATOM 47395 O4* C B2207 22.782 -36.589 -82.824 1.00 0.00 O ATOM 47396 C3* C B2207 24.496 -37.998 -83.605 1.00 0.00 C ATOM 47397 O3* C B2207 24.801 -39.316 -83.938 1.00 0.00 O ATOM 47398 C2* C B2207 23.967 -37.197 -84.793 1.00 0.00 C ATOM 47399 O2* C B2207 23.034 -37.960 -85.537 1.00 0.00 O ATOM 47400 C1* C B2207 23.180 -36.093 -84.092 1.00 0.00 C ATOM 47401 N1 C B2207 23.965 -34.846 -83.873 1.00 0.00 N ATOM 47402 C2 C B2207 24.214 -34.034 -84.976 1.00 0.00 C ATOM 47403 O2 C B2207 23.780 -34.379 -86.080 1.00 0.00 O ATOM 47404 N3 C B2207 24.929 -32.894 -84.798 1.00 0.00 N ATOM 47405 C4 C B2207 25.381 -32.555 -83.585 1.00 0.00 C ATOM 47406 N4 C B2207 26.074 -31.429 -83.464 1.00 0.00 N ATOM 47407 C5 C B2207 25.135 -33.376 -82.439 1.00 0.00 C ATOM 47408 C6 C B2207 24.423 -34.510 -82.637 1.00 0.00 C ATOM 47409 P C B2208 26.361 -39.712 -84.229 1.00 0.00 P ATOM 47410 O1P C B2208 26.531 -41.180 -84.199 1.00 0.00 O ATOM 47411 O2P C B2208 27.240 -38.941 -83.320 1.00 0.00 O ATOM 47412 O5* C B2208 26.532 -39.175 -85.727 1.00 0.00 O ATOM 47413 C5* C B2208 25.700 -39.729 -86.764 1.00 0.00 C ATOM 47414 C4* C B2208 25.941 -38.994 -88.067 1.00 0.00 C ATOM 47415 O4* C B2208 25.446 -37.630 -87.940 1.00 0.00 O ATOM 47416 C3* C B2208 27.404 -38.816 -88.474 1.00 0.00 C ATOM 47417 O3* C B2208 27.890 -39.941 -89.136 1.00 0.00 O ATOM 47418 C2* C B2208 27.340 -37.584 -89.371 1.00 0.00 C ATOM 47419 O2* C B2208 26.821 -37.918 -90.648 1.00 0.00 O ATOM 47420 C1* C B2208 26.283 -36.745 -88.666 1.00 0.00 C ATOM 47421 N1 C B2208 26.845 -35.754 -87.708 1.00 0.00 N ATOM 47422 C2 C B2208 27.462 -34.621 -88.232 1.00 0.00 C ATOM 47423 O2 C B2208 27.518 -34.486 -89.459 1.00 0.00 O ATOM 47424 N3 C B2208 27.982 -33.706 -87.374 1.00 0.00 N ATOM 47425 C4 C B2208 27.901 -33.888 -86.049 1.00 0.00 C ATOM 47426 N4 C B2208 28.425 -32.966 -85.256 1.00 0.00 N ATOM 47427 C5 C B2208 27.271 -35.045 -85.492 1.00 0.00 C ATOM 47428 C6 C B2208 26.758 -35.949 -86.364 1.00 0.00 C ATOM 47429 P G B2209 29.455 -40.357 -88.929 1.00 0.00 P ATOM 47430 O1P G B2209 29.682 -41.742 -89.398 1.00 0.00 O ATOM 47431 O2P G B2209 29.862 -40.076 -87.538 1.00 0.00 O ATOM 47432 O5* G B2209 30.172 -39.328 -89.925 1.00 0.00 O ATOM 47433 C5* G B2209 29.847 -39.369 -91.327 1.00 0.00 C ATOM 47434 C4* G B2209 30.541 -38.234 -92.051 1.00 0.00 C ATOM 47435 O4* G B2209 29.958 -36.972 -91.615 1.00 0.00 O ATOM 47436 C3* G B2209 32.034 -38.070 -91.761 1.00 0.00 C ATOM 47437 O3* G B2209 32.804 -38.912 -92.559 1.00 0.00 O ATOM 47438 C2* G B2209 32.260 -36.594 -92.074 1.00 0.00 C ATOM 47439 O2* G B2209 32.303 -36.376 -93.475 1.00 0.00 O ATOM 47440 C1* G B2209 30.962 -35.970 -91.570 1.00 0.00 C ATOM 47441 N9 G B2209 31.046 -35.467 -90.171 1.00 0.00 N ATOM 47442 C8 G B2209 30.511 -36.003 -89.019 1.00 0.00 C ATOM 47443 N7 G B2209 30.771 -35.309 -87.936 1.00 0.00 N ATOM 47444 C5 G B2209 31.529 -34.237 -88.405 1.00 0.00 C ATOM 47445 C6 G B2209 32.102 -33.146 -87.700 1.00 0.00 C ATOM 47446 O6 G B2209 32.058 -32.898 -86.497 1.00 0.00 O ATOM 47447 N1 G B2209 32.794 -32.287 -88.565 1.00 0.00 N ATOM 47448 C2 G B2209 32.917 -32.457 -89.930 1.00 0.00 C ATOM 47449 N2 G B2209 33.618 -31.524 -90.576 1.00 0.00 N ATOM 47450 N3 G B2209 32.380 -33.480 -90.588 1.00 0.00 N ATOM 47451 C4 G B2209 31.704 -34.324 -89.765 1.00 0.00 C ATOM 47452 P U B2210 34.103 -39.751 -91.445 1.00 0.00 P ATOM 47453 O1P U B2210 34.555 -41.003 -92.097 1.00 0.00 O ATOM 47454 O2P U B2210 33.478 -39.904 -90.116 1.00 0.00 O ATOM 47455 O5* U B2210 35.602 -38.630 -91.213 1.00 0.00 O ATOM 47456 C5* U B2210 37.097 -38.522 -90.965 1.00 0.00 C ATOM 47457 C4* U B2210 37.792 -38.226 -89.474 1.00 0.00 C ATOM 47458 O4* U B2210 37.088 -38.775 -88.327 1.00 0.00 O ATOM 47459 C3* U B2210 39.248 -38.150 -89.012 1.00 0.00 C ATOM 47460 O3* U B2210 40.536 -37.647 -89.746 1.00 0.00 O ATOM 47461 C2* U B2210 39.100 -37.779 -87.538 1.00 0.00 C ATOM 47462 O2* U B2210 38.775 -36.408 -87.399 1.00 0.00 O ATOM 47463 C1* U B2210 37.859 -38.573 -87.147 1.00 0.00 C ATOM 47464 N1 U B2210 38.179 -40.091 -86.450 1.00 0.00 N ATOM 47465 C2 U B2210 38.919 -40.104 -85.288 1.00 0.00 C ATOM 47466 O2 U B2210 39.389 -39.096 -84.792 1.00 0.00 O ATOM 47467 N3 U B2210 39.092 -41.345 -84.713 1.00 0.00 N ATOM 47468 C4 U B2210 38.603 -42.544 -85.175 1.00 0.00 C ATOM 47469 O4 U B2210 38.823 -43.595 -84.566 1.00 0.00 O ATOM 47470 C5 U B2210 37.841 -42.432 -86.400 1.00 0.00 C ATOM 47471 C6 U B2210 37.657 -41.237 -86.990 1.00 0.00 C ATOM 47472 P A B2211 41.820 -36.645 -88.821 1.00 0.00 P ATOM 47473 O1P A B2211 41.595 -36.695 -87.357 1.00 0.00 O ATOM 47474 O2P A B2211 41.870 -35.290 -89.418 1.00 0.00 O ATOM 47475 O5* A B2211 43.408 -37.537 -89.181 1.00 0.00 O ATOM 47476 C5* A B2211 44.884 -37.535 -89.114 1.00 0.00 C ATOM 47477 C4* A B2211 45.610 -36.924 -87.776 1.00 0.00 C ATOM 47478 O4* A B2211 45.272 -37.487 -86.475 1.00 0.00 O ATOM 47479 C3* A B2211 47.044 -36.421 -87.596 1.00 0.00 C ATOM 47480 O3* A B2211 47.642 -35.392 -88.590 1.00 0.00 O ATOM 47481 C2* A B2211 47.029 -35.919 -86.151 1.00 0.00 C ATOM 47482 O2* A B2211 46.370 -34.672 -86.061 1.00 0.00 O ATOM 47483 C1* A B2211 46.129 -36.950 -85.478 1.00 0.00 C ATOM 47484 N9 A B2211 46.953 -38.230 -84.737 1.00 0.00 N ATOM 47485 C8 A B2211 47.033 -39.544 -85.142 1.00 0.00 C ATOM 47486 N7 A B2211 47.586 -40.331 -84.270 1.00 0.00 N ATOM 47487 C5 A B2211 47.900 -39.491 -83.212 1.00 0.00 C ATOM 47488 C6 A B2211 48.512 -39.721 -81.970 1.00 0.00 C ATOM 47489 N6 A B2211 48.938 -40.929 -81.568 1.00 0.00 N ATOM 47490 N1 A B2211 48.671 -38.663 -81.153 1.00 0.00 N ATOM 47491 C2 A B2211 48.253 -37.467 -81.557 1.00 0.00 C ATOM 47492 N3 A B2211 47.670 -37.133 -82.690 1.00 0.00 N ATOM 47493 C4 A B2211 47.519 -38.211 -83.489 1.00 0.00 C ATOM 47494 P A B2212 48.888 -34.188 -87.958 1.00 0.00 P ATOM 47495 O1P A B2212 50.125 -34.228 -88.773 1.00 0.00 O ATOM 47496 O2P A B2212 49.081 -34.280 -86.493 1.00 0.00 O ATOM 47497 O5* A B2212 47.854 -32.735 -88.363 1.00 0.00 O ATOM 47498 C5* A B2212 47.713 -31.296 -88.415 1.00 0.00 C ATOM 47499 C4* A B2212 46.533 -30.667 -87.479 1.00 0.00 C ATOM 47500 O4* A B2212 45.459 -31.563 -87.078 1.00 0.00 O ATOM 47501 C3* A B2212 46.805 -29.837 -86.222 1.00 0.00 C ATOM 47502 O3* A B2212 47.617 -28.548 -86.347 1.00 0.00 O ATOM 47503 C2* A B2212 45.402 -29.679 -85.634 1.00 0.00 C ATOM 47504 O2* A B2212 44.660 -28.712 -86.356 1.00 0.00 O ATOM 47505 C1* A B2212 44.783 -31.041 -85.949 1.00 0.00 C ATOM 47506 N9 A B2212 44.889 -32.167 -84.698 1.00 0.00 N ATOM 47507 C8 A B2212 45.866 -33.114 -84.479 1.00 0.00 C ATOM 47508 N7 A B2212 45.764 -33.721 -83.335 1.00 0.00 N ATOM 47509 C5 A B2212 44.648 -33.145 -82.748 1.00 0.00 C ATOM 47510 C6 A B2212 44.008 -33.358 -81.516 1.00 0.00 C ATOM 47511 N6 A B2212 44.429 -34.255 -80.611 1.00 0.00 N ATOM 47512 N1 A B2212 42.920 -32.618 -81.246 1.00 0.00 N ATOM 47513 C2 A B2212 42.506 -31.726 -82.148 1.00 0.00 C ATOM 47514 N3 A B2212 43.016 -31.442 -83.326 1.00 0.00 N ATOM 47515 C4 A B2212 44.109 -32.200 -83.571 1.00 0.00 C ATOM 47516 P U B2213 48.136 -27.901 -84.716 1.00 0.00 P ATOM 47517 O1P U B2213 48.885 -26.629 -84.827 1.00 0.00 O ATOM 47518 O2P U B2213 48.790 -28.966 -83.926 1.00 0.00 O ATOM 47519 O5* U B2213 46.417 -27.635 -84.169 1.00 0.00 O ATOM 47520 C5* U B2213 45.151 -27.915 -83.532 1.00 0.00 C ATOM 47521 C4* U B2213 45.249 -28.193 -81.925 1.00 0.00 C ATOM 47522 O4* U B2213 46.222 -29.190 -81.496 1.00 0.00 O ATOM 47523 C3* U B2213 45.463 -27.032 -80.954 1.00 0.00 C ATOM 47524 O3* U B2213 44.396 -25.898 -81.035 1.00 0.00 O ATOM 47525 C2* U B2213 45.782 -27.757 -79.651 1.00 0.00 C ATOM 47526 O2* U B2213 44.606 -28.293 -79.069 1.00 0.00 O ATOM 47527 C1* U B2213 46.609 -28.941 -80.156 1.00 0.00 C ATOM 47528 N1 U B2213 48.298 -28.695 -80.122 1.00 0.00 N ATOM 47529 C2 U B2213 48.942 -28.959 -78.937 1.00 0.00 C ATOM 47530 O2 U B2213 48.352 -29.274 -77.918 1.00 0.00 O ATOM 47531 N3 U B2213 50.317 -28.842 -78.974 1.00 0.00 N ATOM 47532 C4 U B2213 51.082 -28.492 -80.066 1.00 0.00 C ATOM 47533 O4 U B2213 52.308 -28.418 -79.976 1.00 0.00 O ATOM 47534 C5 U B2213 50.319 -28.232 -81.260 1.00 0.00 C ATOM 47535 C6 U B2213 48.978 -28.341 -81.257 1.00 0.00 C ATOM 47536 P C B2214 42.687 -26.110 -80.362 1.00 0.00 P ATOM 47537 O1P C B2214 42.498 -25.238 -79.182 1.00 0.00 O ATOM 47538 O2P C B2214 42.347 -27.535 -80.167 1.00 0.00 O ATOM 47539 O5* C B2214 41.748 -25.431 -81.794 1.00 0.00 O ATOM 47540 C5* C B2214 40.336 -25.082 -81.987 1.00 0.00 C ATOM 47541 C4* C B2214 39.795 -25.151 -83.527 1.00 0.00 C ATOM 47542 O4* C B2214 40.717 -25.812 -84.439 1.00 0.00 O ATOM 47543 C3* C B2214 38.415 -25.613 -83.997 1.00 0.00 C ATOM 47544 O3* C B2214 37.074 -25.457 -83.260 1.00 0.00 O ATOM 47545 C2* C B2214 38.603 -25.684 -85.513 1.00 0.00 C ATOM 47546 O2* C B2214 38.584 -24.386 -86.081 1.00 0.00 O ATOM 47547 C1* C B2214 40.035 -26.194 -85.624 1.00 0.00 C ATOM 47548 N1 C B2214 40.177 -27.893 -85.805 1.00 0.00 N ATOM 47549 C2 C B2214 40.099 -28.413 -87.090 1.00 0.00 C ATOM 47550 O2 C B2214 39.921 -27.645 -88.041 1.00 0.00 O ATOM 47551 N3 C B2214 40.226 -29.756 -87.255 1.00 0.00 N ATOM 47552 C4 C B2214 40.420 -30.562 -86.201 1.00 0.00 C ATOM 47553 N4 C B2214 40.536 -31.861 -86.412 1.00 0.00 N ATOM 47554 C5 C B2214 40.499 -30.041 -84.869 1.00 0.00 C ATOM 47555 C6 C B2214 40.371 -28.697 -84.726 1.00 0.00 C ATOM 47556 P C B2215 35.702 -24.288 -83.696 1.00 0.00 P ATOM 47557 O1P C B2215 36.144 -22.875 -83.605 1.00 0.00 O ATOM 47558 O2P C B2215 34.498 -24.635 -82.912 1.00 0.00 O ATOM 47559 O5* C B2215 35.486 -24.688 -85.230 1.00 0.00 O ATOM 47560 C5* C B2215 36.285 -24.046 -86.240 1.00 0.00 C ATOM 47561 C4* C B2215 36.006 -24.664 -87.594 1.00 0.00 C ATOM 47562 O4* C B2215 36.501 -26.032 -87.601 1.00 0.00 O ATOM 47563 C3* C B2215 34.528 -24.806 -87.967 1.00 0.00 C ATOM 47564 O3* C B2215 34.023 -23.630 -88.515 1.00 0.00 O ATOM 47565 C2* C B2215 34.563 -25.957 -88.972 1.00 0.00 C ATOM 47566 O2* C B2215 35.044 -25.512 -90.229 1.00 0.00 O ATOM 47567 C1* C B2215 35.643 -26.853 -88.376 1.00 0.00 C ATOM 47568 N1 C B2215 35.109 -27.925 -87.491 1.00 0.00 N ATOM 47569 C2 C B2215 34.472 -29.009 -88.091 1.00 0.00 C ATOM 47570 O2 C B2215 34.380 -29.034 -89.325 1.00 0.00 O ATOM 47571 N3 C B2215 33.978 -29.995 -87.303 1.00 0.00 N ATOM 47572 C4 C B2215 34.099 -29.928 -85.970 1.00 0.00 C ATOM 47573 N4 C B2215 33.600 -30.918 -85.245 1.00 0.00 N ATOM 47574 C5 C B2215 34.749 -28.824 -85.331 1.00 0.00 C ATOM 47575 C6 C B2215 35.234 -27.847 -86.139 1.00 0.00 C ATOM 47576 P G B2216 32.468 -23.236 -88.228 1.00 0.00 P ATOM 47577 O1P G B2216 32.226 -21.813 -88.566 1.00 0.00 O ATOM 47578 O2P G B2216 32.102 -23.640 -86.851 1.00 0.00 O ATOM 47579 O5* G B2216 31.718 -24.175 -89.283 1.00 0.00 O ATOM 47580 C5* G B2216 31.998 -24.011 -90.687 1.00 0.00 C ATOM 47581 C4* G B2216 31.283 -25.081 -91.487 1.00 0.00 C ATOM 47582 O4* G B2216 31.876 -26.375 -91.182 1.00 0.00 O ATOM 47583 C3* G B2216 29.800 -25.270 -91.168 1.00 0.00 C ATOM 47584 O3* G B2216 29.006 -24.362 -91.865 1.00 0.00 O ATOM 47585 C2* G B2216 29.562 -26.714 -91.602 1.00 0.00 C ATOM 47586 O2* G B2216 29.477 -26.810 -93.014 1.00 0.00 O ATOM 47587 C1* G B2216 30.874 -27.379 -91.192 1.00 0.00 C ATOM 47588 N9 G B2216 30.833 -28.002 -89.841 1.00 0.00 N ATOM 47589 C8 G B2216 31.404 -27.566 -88.662 1.00 0.00 C ATOM 47590 N7 G B2216 31.176 -28.354 -87.639 1.00 0.00 N ATOM 47591 C5 G B2216 30.402 -29.380 -88.176 1.00 0.00 C ATOM 47592 C6 G B2216 29.848 -30.529 -87.551 1.00 0.00 C ATOM 47593 O6 G B2216 29.929 -30.882 -86.378 1.00 0.00 O ATOM 47594 N1 G B2216 29.129 -31.311 -88.464 1.00 0.00 N ATOM 47595 C2 G B2216 28.965 -31.023 -89.806 1.00 0.00 C ATOM 47596 N2 G B2216 28.242 -31.897 -90.510 1.00 0.00 N ATOM 47597 N3 G B2216 29.483 -29.946 -90.389 1.00 0.00 N ATOM 47598 C4 G B2216 30.187 -29.176 -89.517 1.00 0.00 C ATOM 47599 P G B2217 27.647 -23.802 -91.155 1.00 0.00 P ATOM 47600 O1P G B2217 27.153 -22.604 -91.871 1.00 0.00 O ATOM 47601 O2P G B2217 27.883 -23.633 -89.704 1.00 0.00 O ATOM 47602 O5* G B2217 26.650 -25.028 -91.404 1.00 0.00 O ATOM 47603 C5* G B2217 26.355 -25.426 -92.755 1.00 0.00 C ATOM 47604 C4* G B2217 25.497 -26.675 -92.752 1.00 0.00 C ATOM 47605 O4* G B2217 26.290 -27.789 -92.252 1.00 0.00 O ATOM 47606 C3* G B2217 24.278 -26.646 -91.829 1.00 0.00 C ATOM 47607 O3* G B2217 23.190 -26.028 -92.440 1.00 0.00 O ATOM 47608 C2* G B2217 24.042 -28.131 -91.565 1.00 0.00 C ATOM 47609 O2* G B2217 23.429 -28.750 -92.683 1.00 0.00 O ATOM 47610 C1* G B2217 25.470 -28.664 -91.491 1.00 0.00 C ATOM 47611 N9 G B2217 26.015 -28.724 -90.106 1.00 0.00 N ATOM 47612 C8 G B2217 26.946 -27.907 -89.503 1.00 0.00 C ATOM 47613 N7 G B2217 27.211 -28.232 -88.259 1.00 0.00 N ATOM 47614 C5 G B2217 26.399 -29.342 -88.026 1.00 0.00 C ATOM 47615 C6 G B2217 26.250 -30.134 -86.859 1.00 0.00 C ATOM 47616 O6 G B2217 26.811 -30.018 -85.771 1.00 0.00 O ATOM 47617 N1 G B2217 25.318 -31.160 -87.054 1.00 0.00 N ATOM 47618 C2 G B2217 24.623 -31.394 -88.224 1.00 0.00 C ATOM 47619 N2 G B2217 23.777 -32.427 -88.209 1.00 0.00 N ATOM 47620 N3 G B2217 24.765 -30.651 -89.318 1.00 0.00 N ATOM 47621 C4 G B2217 25.664 -29.648 -89.148 1.00 0.00 C ATOM 47622 P G B2218 22.158 -25.165 -91.516 1.00 0.00 P ATOM 47623 O1P G B2218 21.308 -24.303 -92.367 1.00 0.00 O ATOM 47624 O2P G B2218 22.913 -24.470 -90.449 1.00 0.00 O ATOM 47625 O5* G B2218 21.274 -26.334 -90.876 1.00 0.00 O ATOM 47626 C5* G B2218 20.522 -27.198 -91.751 1.00 0.00 C ATOM 47627 C4* G B2218 19.865 -28.304 -90.949 1.00 0.00 C ATOM 47628 O4* G B2218 20.901 -29.186 -90.426 1.00 0.00 O ATOM 47629 C3* G B2218 19.100 -27.857 -89.704 1.00 0.00 C ATOM 47630 O3* G B2218 17.802 -27.457 -90.018 1.00 0.00 O ATOM 47631 C2* G B2218 19.135 -29.117 -88.837 1.00 0.00 C ATOM 47632 O2* G B2218 18.205 -30.077 -89.311 1.00 0.00 O ATOM 47633 C1* G B2218 20.526 -29.658 -89.142 1.00 0.00 C ATOM 47634 N9 G B2218 21.567 -29.220 -88.169 1.00 0.00 N ATOM 47635 C8 G B2218 22.569 -28.289 -88.328 1.00 0.00 C ATOM 47636 N7 G B2218 23.325 -28.131 -87.265 1.00 0.00 N ATOM 47637 C5 G B2218 22.782 -29.021 -86.338 1.00 0.00 C ATOM 47638 C6 G B2218 23.174 -29.300 -85.006 1.00 0.00 C ATOM 47639 O6 G B2218 24.094 -28.814 -84.354 1.00 0.00 O ATOM 47640 N1 G B2218 22.348 -30.272 -84.423 1.00 0.00 N ATOM 47641 C2 G B2218 21.285 -30.893 -85.048 1.00 0.00 C ATOM 47642 N2 G B2218 20.621 -31.794 -84.321 1.00 0.00 N ATOM 47643 N3 G B2218 20.917 -30.629 -86.301 1.00 0.00 N ATOM 47644 C4 G B2218 21.707 -29.690 -86.883 1.00 0.00 C ATOM 47645 P U B2219 17.121 -26.250 -89.151 1.00 0.00 P ATOM 47646 O1P U B2219 15.927 -25.730 -89.852 1.00 0.00 O ATOM 47647 O2P U B2219 18.157 -25.248 -88.811 1.00 0.00 O ATOM 47648 O5* U B2219 16.675 -27.039 -87.834 1.00 0.00 O ATOM 47649 C5* U B2219 15.737 -28.123 -87.955 1.00 0.00 C ATOM 47650 C4* U B2219 15.556 -28.803 -86.612 1.00 0.00 C ATOM 47651 O4* U B2219 16.796 -29.478 -86.254 1.00 0.00 O ATOM 47652 C3* U B2219 15.287 -27.873 -85.427 1.00 0.00 C ATOM 47653 O3* U B2219 13.936 -27.550 -85.328 1.00 0.00 O ATOM 47654 C2* U B2219 15.780 -28.709 -84.247 1.00 0.00 C ATOM 47655 O2* U B2219 14.843 -29.722 -83.925 1.00 0.00 O ATOM 47656 C1* U B2219 16.995 -29.406 -84.850 1.00 0.00 C ATOM 47657 N1 U B2219 18.277 -28.689 -84.601 1.00 0.00 N ATOM 47658 C2 U B2219 18.799 -28.759 -83.335 1.00 0.00 C ATOM 47659 O2 U B2219 18.258 -29.371 -82.426 1.00 0.00 O ATOM 47660 N3 U B2219 19.988 -28.082 -83.141 1.00 0.00 N ATOM 47661 C4 U B2219 20.683 -27.361 -84.092 1.00 0.00 C ATOM 47662 O4 U B2219 21.738 -26.797 -83.802 1.00 0.00 O ATOM 47663 C5 U B2219 20.057 -27.346 -85.393 1.00 0.00 C ATOM 47664 C6 U B2219 18.900 -27.997 -85.607 1.00 0.00 C ATOM 47665 P U B2220 13.521 -26.069 -84.781 1.00 0.00 P ATOM 47666 O1P U B2220 12.101 -25.787 -85.092 1.00 0.00 O ATOM 47667 O2P U B2220 14.499 -25.071 -85.272 1.00 0.00 O ATOM 47668 O5* U B2220 13.699 -26.272 -83.203 1.00 0.00 O ATOM 47669 C5* U B2220 12.904 -27.266 -82.531 1.00 0.00 C ATOM 47670 C4* U B2220 13.320 -27.375 -81.080 1.00 0.00 C ATOM 47671 O4* U B2220 14.665 -27.930 -81.018 1.00 0.00 O ATOM 47672 C3* U B2220 13.434 -26.051 -80.321 1.00 0.00 C ATOM 47673 O3* U B2220 12.199 -25.639 -79.826 1.00 0.00 O ATOM 47674 C2* U B2220 14.425 -26.403 -79.213 1.00 0.00 C ATOM 47675 O2* U B2220 13.793 -27.163 -78.196 1.00 0.00 O ATOM 47676 C1* U B2220 15.380 -27.342 -79.941 1.00 0.00 C ATOM 47677 N1 U B2220 16.578 -26.661 -80.504 1.00 0.00 N ATOM 47678 C2 U B2220 17.552 -26.272 -79.615 1.00 0.00 C ATOM 47679 O2 U B2220 17.468 -26.463 -78.413 1.00 0.00 O ATOM 47680 N3 U B2220 18.646 -25.643 -80.172 1.00 0.00 N ATOM 47681 C4 U B2220 18.845 -25.376 -81.512 1.00 0.00 C ATOM 47682 O4 U B2220 19.868 -24.803 -81.892 1.00 0.00 O ATOM 47683 C5 U B2220 17.770 -25.822 -82.366 1.00 0.00 C ATOM 47684 C6 U B2220 16.693 -26.436 -81.850 1.00 0.00 C ATOM 47685 P G B2221 11.990 -24.063 -78.733 1.00 0.00 P ATOM 47686 O1P G B2221 10.536 -24.091 -78.449 1.00 0.00 O ATOM 47687 O2P G B2221 12.476 -22.889 -79.488 1.00 0.00 O ATOM 47688 O5* G B2221 12.809 -24.205 -77.365 1.00 0.00 O ATOM 47689 C5* G B2221 12.555 -25.340 -76.514 1.00 0.00 C ATOM 47690 C4* G B2221 13.523 -25.340 -75.347 1.00 0.00 C ATOM 47691 O4* G B2221 14.866 -25.598 -75.851 1.00 0.00 O ATOM 47692 C3* G B2221 13.661 -24.015 -74.596 1.00 0.00 C ATOM 47693 O3* G B2221 12.663 -23.868 -73.634 1.00 0.00 O ATOM 47694 C2* G B2221 15.055 -24.138 -73.987 1.00 0.00 C ATOM 47695 O2* G B2221 15.039 -25.002 -72.864 1.00 0.00 O ATOM 47696 C1* G B2221 15.813 -24.861 -75.094 1.00 0.00 C ATOM 47697 N9 G B2221 16.533 -23.947 -76.025 1.00 0.00 N ATOM 47698 C8 G B2221 16.216 -23.596 -77.319 1.00 0.00 C ATOM 47699 N7 G B2221 17.065 -22.760 -77.867 1.00 0.00 N ATOM 47700 C5 G B2221 18.011 -22.540 -76.864 1.00 0.00 C ATOM 47701 C6 G B2221 19.170 -21.725 -76.865 1.00 0.00 C ATOM 47702 O6 G B2221 19.613 -21.017 -77.767 1.00 0.00 O ATOM 47703 N1 G B2221 19.847 -21.794 -75.640 1.00 0.00 N ATOM 47704 C2 G B2221 19.449 -22.550 -74.553 1.00 0.00 C ATOM 47705 N2 G B2221 20.230 -22.478 -73.473 1.00 0.00 N ATOM 47706 N3 G B2221 18.359 -23.315 -74.551 1.00 0.00 N ATOM 47707 C4 G B2221 17.692 -23.259 -75.735 1.00 0.00 C ATOM 47708 P C B2222 12.089 -22.371 -73.324 1.00 0.00 P ATOM 47709 O1P C B2222 10.819 -22.458 -72.570 1.00 0.00 O ATOM 47710 O2P C B2222 12.040 -21.593 -74.580 1.00 0.00 O ATOM 47711 O5* C B2222 13.241 -21.796 -72.376 1.00 0.00 O ATOM 47712 C5* C B2222 13.520 -22.467 -71.133 1.00 0.00 C ATOM 47713 C4* C B2222 14.723 -21.833 -70.460 1.00 0.00 C ATOM 47714 O4* C B2222 15.910 -22.114 -71.256 1.00 0.00 O ATOM 47715 C3* C B2222 14.701 -20.309 -70.354 1.00 0.00 C ATOM 47716 O3* C B2222 13.984 -19.883 -69.237 1.00 0.00 O ATOM 47717 C2* C B2222 16.188 -19.974 -70.262 1.00 0.00 C ATOM 47718 O2* C B2222 16.689 -20.255 -68.965 1.00 0.00 O ATOM 47719 C1* C B2222 16.793 -21.003 -71.205 1.00 0.00 C ATOM 47720 N1 C B2222 16.985 -20.505 -72.596 1.00 0.00 N ATOM 47721 C2 C B2222 18.026 -19.609 -72.826 1.00 0.00 C ATOM 47722 O2 C B2222 18.742 -19.270 -71.878 1.00 0.00 O ATOM 47723 N3 C B2222 18.217 -19.140 -74.088 1.00 0.00 N ATOM 47724 C4 C B2222 17.417 -19.531 -75.088 1.00 0.00 C ATOM 47725 N4 C B2222 17.647 -19.045 -76.301 1.00 0.00 N ATOM 47726 C5 C B2222 16.342 -20.454 -74.873 1.00 0.00 C ATOM 47727 C6 C B2222 16.168 -20.908 -73.606 1.00 0.00 C ATOM 47728 P G B2223 13.137 -18.491 -69.330 1.00 0.00 P ATOM 47729 O1P G B2223 12.175 -18.402 -68.211 1.00 0.00 O ATOM 47730 O2P G B2223 12.568 -18.351 -70.688 1.00 0.00 O ATOM 47731 O5* G B2223 14.309 -17.418 -69.122 1.00 0.00 O ATOM 47732 C5* G B2223 15.064 -17.436 -67.897 1.00 0.00 C ATOM 47733 C4* G B2223 16.189 -16.424 -67.966 1.00 0.00 C ATOM 47734 O4* G B2223 17.160 -16.870 -68.959 1.00 0.00 O ATOM 47735 C3* G B2223 15.801 -15.023 -68.437 1.00 0.00 C ATOM 47736 O3* G B2223 15.311 -14.251 -67.386 1.00 0.00 O ATOM 47737 C2* G B2223 17.118 -14.492 -68.997 1.00 0.00 C ATOM 47738 O2* G B2223 17.993 -14.116 -67.945 1.00 0.00 O ATOM 47739 C1* G B2223 17.708 -15.745 -69.634 1.00 0.00 C ATOM 47740 N9 G B2223 17.395 -15.884 -71.084 1.00 0.00 N ATOM 47741 C8 G B2223 16.509 -16.737 -71.707 1.00 0.00 C ATOM 47742 N7 G B2223 16.471 -16.602 -73.011 1.00 0.00 N ATOM 47743 C5 G B2223 17.397 -15.593 -73.271 1.00 0.00 C ATOM 47744 C6 G B2223 17.795 -15.010 -74.503 1.00 0.00 C ATOM 47745 O6 G B2223 17.406 -15.270 -75.638 1.00 0.00 O ATOM 47746 N1 G B2223 18.762 -14.019 -74.307 1.00 0.00 N ATOM 47747 C2 G B2223 19.280 -13.636 -73.085 1.00 0.00 C ATOM 47748 N2 G B2223 20.197 -12.666 -73.113 1.00 0.00 N ATOM 47749 N3 G B2223 18.908 -14.181 -71.930 1.00 0.00 N ATOM 47750 C4 G B2223 17.966 -15.149 -72.099 1.00 0.00 C ATOM 47751 P G B2224 14.694 -12.558 -67.755 1.00 0.00 P ATOM 47752 O1P G B2224 13.468 -12.254 -66.984 1.00 0.00 O ATOM 47753 O2P G B2224 14.622 -12.304 -69.211 1.00 0.00 O ATOM 47754 O5* G B2224 16.151 -11.761 -66.988 1.00 0.00 O ATOM 47755 C5* G B2224 16.928 -10.854 -66.162 1.00 0.00 C ATOM 47756 C4* G B2224 16.734 -9.266 -66.529 1.00 0.00 C ATOM 47757 O4* G B2224 15.529 -9.044 -67.313 1.00 0.00 O ATOM 47758 C3* G B2224 16.738 -8.120 -65.519 1.00 0.00 C ATOM 47759 O3* G B2224 18.189 -7.749 -65.035 1.00 0.00 O ATOM 47760 C2* G B2224 16.156 -6.971 -66.341 1.00 0.00 C ATOM 47761 O2* G B2224 17.129 -6.451 -67.231 1.00 0.00 O ATOM 47762 C1* G B2224 15.117 -7.693 -67.192 1.00 0.00 C ATOM 47763 N9 G B2224 13.528 -7.670 -66.553 1.00 0.00 N ATOM 47764 C8 G B2224 12.666 -8.718 -66.329 1.00 0.00 C ATOM 47765 N7 G B2224 11.476 -8.353 -65.909 1.00 0.00 N ATOM 47766 C5 G B2224 11.561 -6.961 -65.853 1.00 0.00 C ATOM 47767 C6 G B2224 10.587 -6.002 -65.471 1.00 0.00 C ATOM 47768 O6 G B2224 9.432 -6.184 -65.095 1.00 0.00 O ATOM 47769 N1 G B2224 11.094 -4.698 -65.564 1.00 0.00 N ATOM 47770 C2 G B2224 12.372 -4.363 -65.967 1.00 0.00 C ATOM 47771 N2 G B2224 12.660 -3.059 -65.987 1.00 0.00 N ATOM 47772 N3 G B2224 13.281 -5.262 -66.325 1.00 0.00 N ATOM 47773 C4 G B2224 12.807 -6.537 -66.245 1.00 0.00 C ATOM 47774 P A B2225 18.772 -7.459 -63.302 1.00 0.00 P ATOM 47775 O1P A B2225 20.188 -7.031 -63.349 1.00 0.00 O ATOM 47776 O2P A B2225 18.470 -8.602 -62.411 1.00 0.00 O ATOM 47777 O5* A B2225 17.681 -6.037 -62.954 1.00 0.00 O ATOM 47778 C5* A B2225 18.239 -4.750 -62.605 1.00 0.00 C ATOM 47779 C4* A B2225 19.011 -4.125 -63.895 1.00 0.00 C ATOM 47780 O4* A B2225 18.280 -4.315 -65.142 1.00 0.00 O ATOM 47781 C3* A B2225 19.475 -2.668 -63.958 1.00 0.00 C ATOM 47782 O3* A B2225 20.593 -2.334 -62.953 1.00 0.00 O ATOM 47783 C2* A B2225 19.779 -2.491 -65.444 1.00 0.00 C ATOM 47784 O2* A B2225 21.009 -3.107 -65.783 1.00 0.00 O ATOM 47785 C1* A B2225 18.673 -3.325 -66.081 1.00 0.00 C ATOM 47786 N9 A B2225 17.310 -2.453 -66.530 1.00 0.00 N ATOM 47787 C8 A B2225 15.987 -2.797 -66.379 1.00 0.00 C ATOM 47788 N7 A B2225 15.161 -1.994 -66.977 1.00 0.00 N ATOM 47789 C5 A B2225 15.984 -1.043 -67.566 1.00 0.00 C ATOM 47790 C6 A B2225 15.714 0.089 -68.348 1.00 0.00 C ATOM 47791 N6 A B2225 14.475 0.472 -68.690 1.00 0.00 N ATOM 47792 N1 A B2225 16.764 0.810 -68.778 1.00 0.00 N ATOM 47793 C2 A B2225 17.992 0.426 -68.435 1.00 0.00 C ATOM 47794 N3 A B2225 18.366 -0.608 -67.713 1.00 0.00 N ATOM 47795 C4 A B2225 17.294 -1.319 -67.298 1.00 0.00 C ATOM 47796 P C B2226 21.270 -0.637 -62.924 1.00 0.00 P ATOM 47797 O1P C B2226 20.326 0.381 -63.444 1.00 0.00 O ATOM 47798 O2P C B2226 22.635 -0.601 -63.486 1.00 0.00 O ATOM 47799 O5* C B2226 21.266 -0.666 -61.102 1.00 0.00 O ATOM 47800 C5* C B2226 21.468 -0.368 -59.707 1.00 0.00 C ATOM 47801 C4* C B2226 22.856 0.446 -59.459 1.00 0.00 C ATOM 47802 O4* C B2226 23.590 0.745 -60.682 1.00 0.00 O ATOM 47803 C3* C B2226 22.970 1.731 -58.639 1.00 0.00 C ATOM 47804 O3* C B2226 22.411 1.660 -57.199 1.00 0.00 O ATOM 47805 C2* C B2226 24.377 2.208 -58.983 1.00 0.00 C ATOM 47806 O2* C B2226 25.350 1.445 -58.290 1.00 0.00 O ATOM 47807 C1* C B2226 24.481 1.828 -60.458 1.00 0.00 C ATOM 47808 N1 C B2226 24.071 3.130 -61.587 1.00 0.00 N ATOM 47809 C2 C B2226 22.731 3.481 -61.717 1.00 0.00 C ATOM 47810 O2 C B2226 21.891 2.889 -61.023 1.00 0.00 O ATOM 47811 N3 C B2226 22.392 4.456 -62.596 1.00 0.00 N ATOM 47812 C4 C B2226 23.331 5.073 -63.327 1.00 0.00 C ATOM 47813 N4 C B2226 22.949 6.019 -64.170 1.00 0.00 N ATOM 47814 C5 C B2226 24.715 4.732 -63.207 1.00 0.00 C ATOM 47815 C6 C B2226 25.032 3.750 -62.323 1.00 0.00 C ATOM 47816 P A B2227 23.168 2.474 -55.734 1.00 0.00 P ATOM 47817 O1P A B2227 24.215 1.631 -55.116 1.00 0.00 O ATOM 47818 O2P A B2227 22.144 3.010 -54.809 1.00 0.00 O ATOM 47819 O5* A B2227 23.848 3.677 -56.541 1.00 0.00 O ATOM 47820 C5* A B2227 25.243 3.592 -56.876 1.00 0.00 C ATOM 47821 C4* A B2227 25.644 4.769 -57.742 1.00 0.00 C ATOM 47822 O4* A B2227 24.989 4.645 -59.037 1.00 0.00 O ATOM 47823 C3* A B2227 25.206 6.146 -57.238 1.00 0.00 C ATOM 47824 O3* A B2227 26.106 6.660 -56.309 1.00 0.00 O ATOM 47825 C2* A B2227 25.165 6.960 -58.531 1.00 0.00 C ATOM 47826 O2* A B2227 26.474 7.307 -58.948 1.00 0.00 O ATOM 47827 C1* A B2227 24.640 5.927 -59.527 1.00 0.00 C ATOM 47828 N9 A B2227 23.161 5.968 -59.706 1.00 0.00 N ATOM 47829 C8 A B2227 22.209 5.090 -59.240 1.00 0.00 C ATOM 47830 N7 A B2227 20.994 5.409 -59.571 1.00 0.00 N ATOM 47831 C5 A B2227 21.142 6.574 -60.306 1.00 0.00 C ATOM 47832 C6 A B2227 20.217 7.415 -60.945 1.00 0.00 C ATOM 47833 N6 A B2227 18.893 7.197 -60.942 1.00 0.00 N ATOM 47834 N1 A B2227 20.698 8.492 -61.590 1.00 0.00 N ATOM 47835 C2 A B2227 22.012 8.706 -61.589 1.00 0.00 C ATOM 47836 N3 A B2227 22.969 7.995 -61.030 1.00 0.00 N ATOM 47837 C4 A B2227 22.459 6.922 -60.394 1.00 0.00 C ATOM 47838 P G B2228 25.532 7.586 -55.091 1.00 0.00 P ATOM 47839 O1P G B2228 26.551 7.724 -54.028 1.00 0.00 O ATOM 47840 O2P G B2228 24.215 7.067 -54.657 1.00 0.00 O ATOM 47841 O5* G B2228 25.342 8.985 -55.844 1.00 0.00 O ATOM 47842 C5* G B2228 26.489 9.627 -56.427 1.00 0.00 C ATOM 47843 C4* G B2228 26.061 10.865 -57.190 1.00 0.00 C ATOM 47844 O4* G B2228 25.285 10.455 -58.353 1.00 0.00 O ATOM 47845 C3* G B2228 25.130 11.818 -56.441 1.00 0.00 C ATOM 47846 O3* G B2228 25.843 12.693 -55.627 1.00 0.00 O ATOM 47847 C2* G B2228 24.414 12.530 -57.586 1.00 0.00 C ATOM 47848 O2* G B2228 25.259 13.502 -58.180 1.00 0.00 O ATOM 47849 C1* G B2228 24.256 11.401 -58.601 1.00 0.00 C ATOM 47850 N9 G B2228 22.948 10.691 -58.507 1.00 0.00 N ATOM 47851 C8 G B2228 22.670 9.442 -57.999 1.00 0.00 C ATOM 47852 N7 G B2228 21.403 9.109 -58.063 1.00 0.00 N ATOM 47853 C5 G B2228 20.800 10.216 -58.658 1.00 0.00 C ATOM 47854 C6 G B2228 19.441 10.449 -58.993 1.00 0.00 C ATOM 47855 O6 G B2228 18.472 9.713 -58.829 1.00 0.00 O ATOM 47856 N1 G B2228 19.266 11.709 -59.580 1.00 0.00 N ATOM 47857 C2 G B2228 20.272 12.625 -59.818 1.00 0.00 C ATOM 47858 N2 G B2228 19.899 13.770 -60.389 1.00 0.00 N ATOM 47859 N3 G B2228 21.547 12.407 -59.504 1.00 0.00 N ATOM 47860 C4 G B2228 21.736 11.188 -58.932 1.00 0.00 C ATOM 47861 P U B2229 25.173 13.173 -54.216 1.00 0.00 P ATOM 47862 O1P U B2229 26.202 13.783 -53.343 1.00 0.00 O ATOM 47863 O2P U B2229 24.412 12.049 -53.625 1.00 0.00 O ATOM 47864 O5* U B2229 24.164 14.302 -54.733 1.00 0.00 O ATOM 47865 C5* U B2229 24.692 15.449 -55.422 1.00 0.00 C ATOM 47866 C4* U B2229 23.559 16.319 -55.925 1.00 0.00 C ATOM 47867 O4* U B2229 22.846 15.604 -56.976 1.00 0.00 O ATOM 47868 C3* U B2229 22.471 16.653 -54.906 1.00 0.00 C ATOM 47869 O3* U B2229 22.825 17.749 -54.122 1.00 0.00 O ATOM 47870 C2* U B2229 21.267 16.935 -55.800 1.00 0.00 C ATOM 47871 O2* U B2229 21.376 18.215 -56.402 1.00 0.00 O ATOM 47872 C1* U B2229 21.463 15.905 -56.907 1.00 0.00 C ATOM 47873 N1 U B2229 20.726 14.630 -56.678 1.00 0.00 N ATOM 47874 C2 U B2229 19.361 14.655 -56.863 1.00 0.00 C ATOM 47875 O2 U B2229 18.757 15.659 -57.201 1.00 0.00 O ATOM 47876 N3 U B2229 18.715 13.458 -56.639 1.00 0.00 N ATOM 47877 C4 U B2229 19.298 12.268 -56.256 1.00 0.00 C ATOM 47878 O4 U B2229 18.613 11.256 -56.088 1.00 0.00 O ATOM 47879 C5 U B2229 20.730 12.342 -56.088 1.00 0.00 C ATOM 47880 C6 U B2229 21.387 13.495 -56.297 1.00 0.00 C ATOM 47881 P G B2230 22.337 17.794 -52.563 1.00 0.00 P ATOM 47882 O1P G B2230 23.100 18.816 -51.816 1.00 0.00 O ATOM 47883 O2P G B2230 22.369 16.425 -52.001 1.00 0.00 O ATOM 47884 O5* G B2230 20.819 18.269 -52.738 1.00 0.00 O ATOM 47885 C5* G B2230 20.554 19.543 -53.355 1.00 0.00 C ATOM 47886 C4* G B2230 19.062 19.733 -53.531 1.00 0.00 C ATOM 47887 O4* G B2230 18.577 18.780 -54.519 1.00 0.00 O ATOM 47888 C3* G B2230 18.204 19.449 -52.296 1.00 0.00 C ATOM 47889 O3* G B2230 18.141 20.553 -51.452 1.00 0.00 O ATOM 47890 C2* G B2230 16.852 19.105 -52.919 1.00 0.00 C ATOM 47891 O2* G B2230 16.187 20.276 -53.359 1.00 0.00 O ATOM 47892 C1* G B2230 17.277 18.339 -54.170 1.00 0.00 C ATOM 47893 N9 G B2230 17.325 16.865 -53.982 1.00 0.00 N ATOM 47894 C8 G B2230 18.422 16.038 -53.858 1.00 0.00 C ATOM 47895 N7 G B2230 18.120 14.771 -53.702 1.00 0.00 N ATOM 47896 C5 G B2230 16.726 14.758 -53.723 1.00 0.00 C ATOM 47897 C6 G B2230 15.821 13.670 -53.599 1.00 0.00 C ATOM 47898 O6 G B2230 16.068 12.476 -53.441 1.00 0.00 O ATOM 47899 N1 G B2230 14.489 14.103 -53.675 1.00 0.00 N ATOM 47900 C2 G B2230 14.084 15.411 -53.847 1.00 0.00 C ATOM 47901 N2 G B2230 12.769 15.617 -53.895 1.00 0.00 N ATOM 47902 N3 G B2230 14.935 16.429 -53.964 1.00 0.00 N ATOM 47903 C4 G B2230 16.231 16.029 -53.892 1.00 0.00 C ATOM 47904 P U B2231 18.050 20.307 -49.841 1.00 0.00 P ATOM 47905 O1P U B2231 18.358 21.557 -49.112 1.00 0.00 O ATOM 47906 O2P U B2231 18.871 19.130 -49.476 1.00 0.00 O ATOM 47907 O5* U B2231 16.497 19.956 -49.679 1.00 0.00 O ATOM 47908 C5* U B2231 15.515 20.934 -50.063 1.00 0.00 C ATOM 47909 C4* U B2231 14.122 20.348 -49.945 1.00 0.00 C ATOM 47910 O4* U B2231 13.961 19.306 -50.950 1.00 0.00 O ATOM 47911 C3* U B2231 13.809 19.641 -48.626 1.00 0.00 C ATOM 47912 O3* U B2231 13.402 20.542 -47.646 1.00 0.00 O ATOM 47913 C2* U B2231 12.700 18.674 -49.038 1.00 0.00 C ATOM 47914 O2* U B2231 11.469 19.362 -49.196 1.00 0.00 O ATOM 47915 C1* U B2231 13.155 18.261 -50.433 1.00 0.00 C ATOM 47916 N1 U B2231 13.959 17.008 -50.453 1.00 0.00 N ATOM 47917 C2 U B2231 13.282 15.826 -50.262 1.00 0.00 C ATOM 47918 O2 U B2231 12.077 15.775 -50.084 1.00 0.00 O ATOM 47919 N3 U B2231 14.061 14.687 -50.286 1.00 0.00 N ATOM 47920 C4 U B2231 15.424 14.629 -50.478 1.00 0.00 C ATOM 47921 O4 U B2231 16.014 13.547 -50.481 1.00 0.00 O ATOM 47922 C5 U B2231 16.049 15.918 -50.670 1.00 0.00 C ATOM 47923 C6 U B2231 15.314 17.042 -50.651 1.00 0.00 C ATOM 47924 P C B2232 13.800 20.244 -46.091 1.00 0.00 P ATOM 47925 O1P C B2232 13.610 21.461 -45.272 1.00 0.00 O ATOM 47926 O2P C B2232 15.146 19.635 -46.037 1.00 0.00 O ATOM 47927 O5* C B2232 12.695 19.153 -45.703 1.00 0.00 O ATOM 47928 C5* C B2232 11.302 19.511 -45.778 1.00 0.00 C ATOM 47929 C4* C B2232 10.441 18.300 -45.489 1.00 0.00 C ATOM 47930 O4* C B2232 10.592 17.344 -46.577 1.00 0.00 O ATOM 47931 C3* C B2232 10.810 17.498 -44.241 1.00 0.00 C ATOM 47932 O3* C B2232 10.240 18.046 -43.093 1.00 0.00 O ATOM 47933 C2* C B2232 10.253 16.115 -44.573 1.00 0.00 C ATOM 47934 O2* C B2232 8.844 16.089 -44.414 1.00 0.00 O ATOM 47935 C1* C B2232 10.535 16.022 -46.067 1.00 0.00 C ATOM 47936 N1 C B2232 11.822 15.346 -46.394 1.00 0.00 N ATOM 47937 C2 C B2232 11.885 13.962 -46.247 1.00 0.00 C ATOM 47938 O2 C B2232 10.880 13.358 -45.855 1.00 0.00 O ATOM 47939 N3 C B2232 13.051 13.328 -46.538 1.00 0.00 N ATOM 47940 C4 C B2232 14.115 14.021 -46.959 1.00 0.00 C ATOM 47941 N4 C B2232 15.229 13.355 -47.230 1.00 0.00 N ATOM 47942 C5 C B2232 14.072 15.443 -47.119 1.00 0.00 C ATOM 47943 C6 C B2232 12.900 16.057 -46.821 1.00 0.00 C ATOM 47944 P U B2233 11.201 19.262 -42.148 1.00 0.00 P ATOM 47945 O1P U B2233 11.149 18.942 -40.703 1.00 0.00 O ATOM 47946 O2P U B2233 10.868 20.661 -42.505 1.00 0.00 O ATOM 47947 O5* U B2233 12.755 18.669 -42.875 1.00 0.00 O ATOM 47948 C5* U B2233 13.488 17.643 -42.186 1.00 0.00 C ATOM 47949 C4* U B2233 13.069 16.106 -42.566 1.00 0.00 C ATOM 47950 O4* U B2233 14.092 15.469 -43.380 1.00 0.00 O ATOM 47951 C3* U B2233 12.735 15.054 -41.508 1.00 0.00 C ATOM 47952 O3* U B2233 12.636 15.140 -40.026 1.00 0.00 O ATOM 47953 C2* U B2233 12.859 13.754 -42.294 1.00 0.00 C ATOM 47954 O2* U B2233 11.727 13.563 -43.127 1.00 0.00 O ATOM 47955 C1* U B2233 14.036 14.064 -43.219 1.00 0.00 C ATOM 47956 N1 U B2233 15.548 13.530 -42.646 1.00 0.00 N ATOM 47957 C2 U B2233 15.891 12.225 -42.909 1.00 0.00 C ATOM 47958 O2 U B2233 15.153 11.453 -43.495 1.00 0.00 O ATOM 47959 N3 U B2233 17.141 11.841 -42.464 1.00 0.00 N ATOM 47960 C4 U B2233 18.053 12.632 -41.794 1.00 0.00 C ATOM 47961 O4 U B2233 19.142 12.170 -41.443 1.00 0.00 O ATOM 47962 C5 U B2233 17.600 13.985 -41.563 1.00 0.00 C ATOM 47963 C6 U B2233 16.391 14.385 -41.985 1.00 0.00 C ATOM 47964 P G B2234 10.992 14.935 -39.212 1.00 0.00 P ATOM 47965 O1P G B2234 9.783 15.579 -39.775 1.00 0.00 O ATOM 47966 O2P G B2234 11.391 15.391 -37.862 1.00 0.00 O ATOM 47967 O5* G B2234 10.808 13.346 -39.216 1.00 0.00 O ATOM 47968 C5* G B2234 9.522 12.791 -39.543 1.00 0.00 C ATOM 47969 C4* G B2234 9.609 11.279 -39.610 1.00 0.00 C ATOM 47970 O4* G B2234 10.429 10.904 -40.751 1.00 0.00 O ATOM 47971 C3* G B2234 10.296 10.600 -38.423 1.00 0.00 C ATOM 47972 O3* G B2234 9.411 10.400 -37.367 1.00 0.00 O ATOM 47973 C2* G B2234 10.779 9.291 -39.042 1.00 0.00 C ATOM 47974 O2* G B2234 9.706 8.381 -39.200 1.00 0.00 O ATOM 47975 C1* G B2234 11.186 9.746 -40.441 1.00 0.00 C ATOM 47976 N9 G B2234 12.630 10.091 -40.566 1.00 0.00 N ATOM 47977 C8 G B2234 13.222 11.331 -40.664 1.00 0.00 C ATOM 47978 N7 G B2234 14.531 11.291 -40.759 1.00 0.00 N ATOM 47979 C5 G B2234 14.823 9.926 -40.720 1.00 0.00 C ATOM 47980 C6 G B2234 16.074 9.259 -40.783 1.00 0.00 C ATOM 47981 O6 G B2234 17.200 9.740 -40.888 1.00 0.00 O ATOM 47982 N1 G B2234 15.915 7.869 -40.709 1.00 0.00 N ATOM 47983 C2 G B2234 14.708 7.208 -40.590 1.00 0.00 C ATOM 47984 N2 G B2234 14.769 5.876 -40.535 1.00 0.00 N ATOM 47985 N3 G B2234 13.534 7.837 -40.528 1.00 0.00 N ATOM 47986 C4 G B2234 13.670 9.187 -40.601 1.00 0.00 C ATOM 47987 P G B2235 9.980 10.496 -35.839 1.00 0.00 P ATOM 47988 O1P G B2235 8.856 10.622 -34.880 1.00 0.00 O ATOM 47989 O2P G B2235 11.013 11.553 -35.761 1.00 0.00 O ATOM 47990 O5* G B2235 10.664 9.058 -35.682 1.00 0.00 O ATOM 47991 C5* G B2235 9.848 7.877 -35.813 1.00 0.00 C ATOM 47992 C4* G B2235 10.717 6.638 -35.758 1.00 0.00 C ATOM 47993 O4* G B2235 11.556 6.593 -36.946 1.00 0.00 O ATOM 47994 C3* G B2235 11.716 6.577 -34.600 1.00 0.00 C ATOM 47995 O3* G B2235 11.124 6.091 -33.437 1.00 0.00 O ATOM 47996 C2* G B2235 12.788 5.641 -35.152 1.00 0.00 C ATOM 47997 O2* G B2235 12.350 4.294 -35.107 1.00 0.00 O ATOM 47998 C1* G B2235 12.823 6.047 -36.623 1.00 0.00 C ATOM 47999 N9 G B2235 13.859 7.071 -36.935 1.00 0.00 N ATOM 48000 C8 G B2235 13.703 8.413 -37.208 1.00 0.00 C ATOM 48001 N7 G B2235 14.829 9.043 -37.445 1.00 0.00 N ATOM 48002 C5 G B2235 15.798 8.048 -37.319 1.00 0.00 C ATOM 48003 C6 G B2235 17.207 8.124 -37.464 1.00 0.00 C ATOM 48004 O6 G B2235 17.904 9.100 -37.736 1.00 0.00 O ATOM 48005 N1 G B2235 17.812 6.878 -37.250 1.00 0.00 N ATOM 48006 C2 G B2235 17.143 5.712 -36.939 1.00 0.00 C ATOM 48007 N2 G B2235 17.899 4.624 -36.774 1.00 0.00 N ATOM 48008 N3 G B2235 15.819 5.640 -36.805 1.00 0.00 N ATOM 48009 C4 G B2235 15.217 6.842 -37.009 1.00 0.00 C ATOM 48010 P U B2236 11.630 6.670 -31.996 1.00 0.00 P ATOM 48011 O1P U B2236 10.660 6.322 -30.937 1.00 0.00 O ATOM 48012 O2P U B2236 11.951 8.108 -32.131 1.00 0.00 O ATOM 48013 O5* U B2236 12.979 5.830 -31.792 1.00 0.00 O ATOM 48014 C5* U B2236 12.903 4.394 -31.729 1.00 0.00 C ATOM 48015 C4* U B2236 14.297 3.805 -31.660 1.00 0.00 C ATOM 48016 O4* U B2236 14.972 4.043 -32.928 1.00 0.00 O ATOM 48017 C3* U B2236 15.235 4.425 -30.620 1.00 0.00 C ATOM 48018 O3* U B2236 15.045 3.862 -29.362 1.00 0.00 O ATOM 48019 C2* U B2236 16.609 4.117 -31.204 1.00 0.00 C ATOM 48020 O2* U B2236 16.949 2.757 -30.993 1.00 0.00 O ATOM 48021 C1* U B2236 16.352 4.282 -32.699 1.00 0.00 C ATOM 48022 N1 U B2236 16.674 5.641 -33.215 1.00 0.00 N ATOM 48023 C2 U B2236 18.005 5.959 -33.352 1.00 0.00 C ATOM 48024 O2 U B2236 18.901 5.185 -33.072 1.00 0.00 O ATOM 48025 N3 U B2236 18.263 7.227 -33.834 1.00 0.00 N ATOM 48026 C4 U B2236 17.328 8.181 -34.180 1.00 0.00 C ATOM 48027 O4 U B2236 17.682 9.283 -34.599 1.00 0.00 O ATOM 48028 C5 U B2236 15.961 7.754 -34.002 1.00 0.00 C ATOM 48029 C6 U B2236 15.679 6.526 -33.535 1.00 0.00 C ATOM 48030 P G B2237 15.723 4.820 -27.959 1.00 0.00 P ATOM 48031 O1P G B2237 15.202 4.333 -26.663 1.00 0.00 O ATOM 48032 O2P G B2237 15.646 6.276 -28.181 1.00 0.00 O ATOM 48033 O5* G B2237 17.371 4.145 -28.312 1.00 0.00 O ATOM 48034 C5* G B2237 18.531 3.577 -28.930 1.00 0.00 C ATOM 48035 C4* G B2237 19.676 4.683 -29.248 1.00 0.00 C ATOM 48036 O4* G B2237 19.420 5.644 -30.314 1.00 0.00 O ATOM 48037 C3* G B2237 20.311 5.527 -28.141 1.00 0.00 C ATOM 48038 O3* G B2237 21.011 4.723 -27.033 1.00 0.00 O ATOM 48039 C2* G B2237 21.143 6.527 -28.939 1.00 0.00 C ATOM 48040 O2* G B2237 22.325 5.924 -29.429 1.00 0.00 O ATOM 48041 C1* G B2237 20.245 6.786 -30.146 1.00 0.00 C ATOM 48042 N9 G B2237 19.232 8.169 -30.001 1.00 0.00 N ATOM 48043 C8 G B2237 17.855 8.250 -30.056 1.00 0.00 C ATOM 48044 N7 G B2237 17.397 9.478 -30.014 1.00 0.00 N ATOM 48045 C5 G B2237 18.543 10.263 -29.930 1.00 0.00 C ATOM 48046 C6 G B2237 18.682 11.675 -29.856 1.00 0.00 C ATOM 48047 O6 G B2237 17.808 12.535 -29.855 1.00 0.00 O ATOM 48048 N1 G B2237 20.031 12.052 -29.782 1.00 0.00 N ATOM 48049 C2 G B2237 21.105 11.180 -29.781 1.00 0.00 C ATOM 48050 N2 G B2237 22.311 11.739 -29.702 1.00 0.00 N ATOM 48051 N3 G B2237 20.969 9.862 -29.845 1.00 0.00 N ATOM 48052 C4 G B2237 19.667 9.476 -29.919 1.00 0.00 C ATOM 48053 P G B2238 21.899 5.672 -25.745 1.00 0.00 P ATOM 48054 O1P G B2238 21.195 5.619 -24.444 1.00 0.00 O ATOM 48055 O2P G B2238 22.293 7.018 -26.213 1.00 0.00 O ATOM 48056 O5* G B2238 23.312 4.522 -25.800 1.00 0.00 O ATOM 48057 C5* G B2238 24.708 4.172 -25.764 1.00 0.00 C ATOM 48058 C4* G B2238 25.117 2.970 -26.783 1.00 0.00 C ATOM 48059 O4* G B2238 24.021 2.320 -27.487 1.00 0.00 O ATOM 48060 C3* G B2238 26.213 3.087 -27.842 1.00 0.00 C ATOM 48061 O3* G B2238 27.618 3.634 -27.557 1.00 0.00 O ATOM 48062 C2* G B2238 26.033 1.797 -28.636 1.00 0.00 C ATOM 48063 O2* G B2238 26.565 0.687 -27.923 1.00 0.00 O ATOM 48064 C1* G B2238 24.517 1.642 -28.632 1.00 0.00 C ATOM 48065 N9 G B2238 23.722 2.282 -30.030 1.00 0.00 N ATOM 48066 C8 G B2238 23.160 3.527 -30.219 1.00 0.00 C ATOM 48067 N7 G B2238 22.553 3.667 -31.378 1.00 0.00 N ATOM 48068 C5 G B2238 22.729 2.430 -31.995 1.00 0.00 C ATOM 48069 C6 G B2238 22.299 1.976 -33.271 1.00 0.00 C ATOM 48070 O6 G B2238 21.657 2.582 -34.127 1.00 0.00 O ATOM 48071 N1 G B2238 22.691 0.650 -33.500 1.00 0.00 N ATOM 48072 C2 G B2238 23.408 -0.135 -32.618 1.00 0.00 C ATOM 48073 N2 G B2238 23.686 -1.373 -33.025 1.00 0.00 N ATOM 48074 N3 G B2238 23.813 0.294 -31.425 1.00 0.00 N ATOM 48075 C4 G B2238 23.439 1.578 -31.182 1.00 0.00 C ATOM 48076 P G B2239 28.695 3.076 -26.191 1.00 0.00 P ATOM 48077 O1P G B2239 28.754 1.616 -25.957 1.00 0.00 O ATOM 48078 O2P G B2239 28.525 3.915 -24.985 1.00 0.00 O ATOM 48079 O5* G B2239 29.994 3.547 -26.999 1.00 0.00 O ATOM 48080 C5* G B2239 30.799 2.557 -27.664 1.00 0.00 C ATOM 48081 C4* G B2239 31.896 3.233 -28.463 1.00 0.00 C ATOM 48082 O4* G B2239 31.292 3.961 -29.570 1.00 0.00 O ATOM 48083 C3* G B2239 32.705 4.297 -27.721 1.00 0.00 C ATOM 48084 O3* G B2239 33.738 3.729 -26.980 1.00 0.00 O ATOM 48085 C2* G B2239 33.211 5.171 -28.865 1.00 0.00 C ATOM 48086 O2* G B2239 34.285 4.543 -29.543 1.00 0.00 O ATOM 48087 C1* G B2239 32.017 5.155 -29.816 1.00 0.00 C ATOM 48088 N9 G B2239 31.090 6.306 -29.631 1.00 0.00 N ATOM 48089 C8 G B2239 29.840 6.331 -29.051 1.00 0.00 C ATOM 48090 N7 G B2239 29.278 7.515 -29.046 1.00 0.00 N ATOM 48091 C5 G B2239 30.224 8.334 -29.666 1.00 0.00 C ATOM 48092 C6 G B2239 30.185 9.723 -29.948 1.00 0.00 C ATOM 48093 O6 G B2239 29.294 10.533 -29.706 1.00 0.00 O ATOM 48094 N1 G B2239 31.358 10.148 -30.588 1.00 0.00 N ATOM 48095 C2 G B2239 32.428 9.336 -30.910 1.00 0.00 C ATOM 48096 N2 G B2239 33.454 9.934 -31.519 1.00 0.00 N ATOM 48097 N3 G B2239 32.464 8.033 -30.645 1.00 0.00 N ATOM 48098 C4 G B2239 31.331 7.603 -30.025 1.00 0.00 C ATOM 48099 P U B2240 34.165 4.425 -25.566 1.00 0.00 P ATOM 48100 O1P U B2240 34.996 3.496 -24.767 1.00 0.00 O ATOM 48101 O2P U B2240 32.955 4.946 -24.889 1.00 0.00 O ATOM 48102 O5* U B2240 35.062 5.643 -26.087 1.00 0.00 O ATOM 48103 C5* U B2240 36.247 5.359 -26.854 1.00 0.00 C ATOM 48104 C4* U B2240 36.867 6.650 -27.349 1.00 0.00 C ATOM 48105 O4* U B2240 35.975 7.254 -28.330 1.00 0.00 O ATOM 48106 C3* U B2240 37.052 7.743 -26.296 1.00 0.00 C ATOM 48107 O3* U B2240 38.235 7.570 -25.582 1.00 0.00 O ATOM 48108 C2* U B2240 37.058 9.009 -27.149 1.00 0.00 C ATOM 48109 O2* U B2240 38.302 9.160 -27.816 1.00 0.00 O ATOM 48110 C1* U B2240 36.024 8.668 -28.215 1.00 0.00 C ATOM 48111 N1 U B2240 34.652 9.151 -27.894 1.00 0.00 N ATOM 48112 C2 U B2240 34.416 10.499 -28.017 1.00 0.00 C ATOM 48113 O2 U B2240 35.271 11.291 -28.374 1.00 0.00 O ATOM 48114 N3 U B2240 33.133 10.907 -27.710 1.00 0.00 N ATOM 48115 C4 U B2240 32.092 10.100 -27.299 1.00 0.00 C ATOM 48116 O4 U B2240 30.985 10.583 -27.050 1.00 0.00 O ATOM 48117 C5 U B2240 32.437 8.703 -27.196 1.00 0.00 C ATOM 48118 C6 U B2240 33.677 8.276 -27.489 1.00 0.00 C ATOM 48119 P A B2241 38.273 8.004 -24.008 1.00 0.00 P ATOM 48120 O1P A B2241 39.458 7.416 -23.344 1.00 0.00 O ATOM 48121 O2P A B2241 36.967 7.700 -23.383 1.00 0.00 O ATOM 48122 O5* A B2241 38.455 9.590 -24.138 1.00 0.00 O ATOM 48123 C5* A B2241 39.624 10.105 -24.801 1.00 0.00 C ATOM 48124 C4* A B2241 39.528 11.614 -24.920 1.00 0.00 C ATOM 48125 O4* A B2241 38.452 11.947 -25.841 1.00 0.00 O ATOM 48126 C3* A B2241 39.160 12.359 -23.637 1.00 0.00 C ATOM 48127 O3* A B2241 40.280 12.598 -22.842 1.00 0.00 O ATOM 48128 C2* A B2241 38.541 13.645 -24.180 1.00 0.00 C ATOM 48129 O2* A B2241 39.548 14.530 -24.644 1.00 0.00 O ATOM 48130 C1* A B2241 37.801 13.133 -25.413 1.00 0.00 C ATOM 48131 N9 A B2241 36.370 12.807 -25.156 1.00 0.00 N ATOM 48132 C8 A B2241 35.771 11.572 -25.045 1.00 0.00 C ATOM 48133 N7 A B2241 34.494 11.626 -24.816 1.00 0.00 N ATOM 48134 C5 A B2241 34.218 12.985 -24.774 1.00 0.00 C ATOM 48135 C6 A B2241 33.030 13.705 -24.564 1.00 0.00 C ATOM 48136 N6 A B2241 31.840 13.122 -24.351 1.00 0.00 N ATOM 48137 N1 A B2241 33.109 15.047 -24.586 1.00 0.00 N ATOM 48138 C2 A B2241 34.292 15.620 -24.796 1.00 0.00 C ATOM 48139 N3 A B2241 35.464 15.053 -25.004 1.00 0.00 N ATOM 48140 C4 A B2241 35.356 13.710 -24.979 1.00 0.00 C ATOM 48141 P G B2242 40.107 12.583 -21.218 1.00 0.00 P ATOM 48142 O1P G B2242 41.432 12.483 -20.564 1.00 0.00 O ATOM 48143 O2P G B2242 39.122 11.548 -20.836 1.00 0.00 O ATOM 48144 O5* G B2242 39.490 14.037 -20.970 1.00 0.00 O ATOM 48145 C5* G B2242 40.252 15.196 -21.359 1.00 0.00 C ATOM 48146 C4* G B2242 39.429 16.452 -21.151 1.00 0.00 C ATOM 48147 O4* G B2242 38.322 16.453 -22.097 1.00 0.00 O ATOM 48148 C3* G B2242 38.748 16.583 -19.788 1.00 0.00 C ATOM 48149 O3* G B2242 39.614 17.115 -18.832 1.00 0.00 O ATOM 48150 C2* G B2242 37.578 17.510 -20.102 1.00 0.00 C ATOM 48151 O2* G B2242 38.018 18.852 -20.236 1.00 0.00 O ATOM 48152 C1* G B2242 37.178 17.036 -21.496 1.00 0.00 C ATOM 48153 N9 G B2242 36.092 16.015 -21.492 1.00 0.00 N ATOM 48154 C8 G B2242 36.169 14.659 -21.727 1.00 0.00 C ATOM 48155 N7 G B2242 35.017 14.037 -21.648 1.00 0.00 N ATOM 48156 C5 G B2242 34.113 15.051 -21.336 1.00 0.00 C ATOM 48157 C6 G B2242 32.712 14.993 -21.122 1.00 0.00 C ATOM 48158 O6 G B2242 31.967 14.017 -21.165 1.00 0.00 O ATOM 48159 N1 G B2242 32.186 16.257 -20.828 1.00 0.00 N ATOM 48160 C2 G B2242 32.916 17.427 -20.752 1.00 0.00 C ATOM 48161 N2 G B2242 32.228 18.533 -20.459 1.00 0.00 N ATOM 48162 N3 G B2242 34.232 17.482 -20.953 1.00 0.00 N ATOM 48163 C4 G B2242 34.759 16.263 -21.238 1.00 0.00 C ATOM 48164 P U B2243 39.477 16.616 -17.286 1.00 0.00 P ATOM 48165 O1P U B2243 40.683 16.995 -16.517 1.00 0.00 O ATOM 48166 O2P U B2243 39.126 15.176 -17.262 1.00 0.00 O ATOM 48167 O5* U B2243 38.227 17.485 -16.796 1.00 0.00 O ATOM 48168 C5* U B2243 38.322 18.921 -16.825 1.00 0.00 C ATOM 48169 C4* U B2243 36.990 19.536 -16.443 1.00 0.00 C ATOM 48170 O4* U B2243 36.021 19.249 -17.490 1.00 0.00 O ATOM 48171 C3* U B2243 36.338 18.979 -15.176 1.00 0.00 C ATOM 48172 O3* U B2243 36.837 19.599 -14.031 1.00 0.00 O ATOM 48173 C2* U B2243 34.862 19.283 -15.415 1.00 0.00 C ATOM 48174 O2* U B2243 34.589 20.657 -15.195 1.00 0.00 O ATOM 48175 C1* U B2243 34.739 19.044 -16.916 1.00 0.00 C ATOM 48176 N1 U B2243 34.293 17.668 -17.268 1.00 0.00 N ATOM 48177 C2 U B2243 32.969 17.363 -17.055 1.00 0.00 C ATOM 48178 O2 U B2243 32.171 18.165 -16.599 1.00 0.00 O ATOM 48179 N3 U B2243 32.593 16.078 -17.392 1.00 0.00 N ATOM 48180 C4 U B2243 33.410 15.095 -17.912 1.00 0.00 C ATOM 48181 O4 U B2243 32.958 13.978 -18.174 1.00 0.00 O ATOM 48182 C5 U B2243 34.780 15.507 -18.098 1.00 0.00 C ATOM 48183 C6 U B2243 35.175 16.751 -17.779 1.00 0.00 C ATOM 48184 P U B2244 36.021 18.967 -12.499 1.00 0.00 P ATOM 48185 O1P U B2244 36.616 19.545 -11.276 1.00 0.00 O ATOM 48186 O2P U B2244 35.937 17.487 -12.536 1.00 0.00 O ATOM 48187 O5* U B2244 34.391 19.714 -12.870 1.00 0.00 O ATOM 48188 C5* U B2244 32.985 19.424 -13.044 1.00 0.00 C ATOM 48189 C4* U B2244 32.115 20.508 -13.900 1.00 0.00 C ATOM 48190 O4* U B2244 31.314 20.008 -15.005 1.00 0.00 O ATOM 48191 C3* U B2244 31.227 21.569 -13.247 1.00 0.00 C ATOM 48192 O3* U B2244 31.553 22.428 -12.037 1.00 0.00 O ATOM 48193 C2* U B2244 30.524 22.178 -14.459 1.00 0.00 C ATOM 48194 O2* U B2244 31.397 23.055 -15.157 1.00 0.00 O ATOM 48195 C1* U B2244 30.315 20.957 -15.346 1.00 0.00 C ATOM 48196 N1 U B2244 28.797 20.217 -15.184 1.00 0.00 N ATOM 48197 C2 U B2244 27.693 21.019 -15.348 1.00 0.00 C ATOM 48198 O2 U B2244 27.770 22.210 -15.599 1.00 0.00 O ATOM 48199 N3 U B2244 26.477 20.383 -15.208 1.00 0.00 N ATOM 48200 C4 U B2244 26.278 19.046 -14.926 1.00 0.00 C ATOM 48201 O4 U B2244 25.138 18.591 -14.825 1.00 0.00 O ATOM 48202 C5 U B2244 27.498 18.288 -14.775 1.00 0.00 C ATOM 48203 C6 U B2244 28.697 18.880 -14.907 1.00 0.00 C ATOM 48204 P U B2245 30.044 22.655 -11.011 1.00 0.00 P ATOM 48205 O1P U B2245 30.183 21.994 -9.695 1.00 0.00 O ATOM 48206 O2P U B2245 28.831 22.309 -11.780 1.00 0.00 O ATOM 48207 O5* U B2245 30.191 24.457 -10.818 1.00 0.00 O ATOM 48208 C5* U B2245 30.714 25.038 -9.617 1.00 0.00 C ATOM 48209 C4* U B2245 32.022 25.860 -10.039 1.00 0.00 C ATOM 48210 O4* U B2245 31.975 26.462 -11.368 1.00 0.00 O ATOM 48211 C3* U B2245 32.716 26.920 -9.182 1.00 0.00 C ATOM 48212 O3* U B2245 32.835 26.664 -7.632 1.00 0.00 O ATOM 48213 C2* U B2245 33.734 27.510 -10.159 1.00 0.00 C ATOM 48214 O2* U B2245 34.837 26.633 -10.326 1.00 0.00 O ATOM 48215 C1* U B2245 32.945 27.489 -11.467 1.00 0.00 C ATOM 48216 N1 U B2245 32.154 28.936 -11.835 1.00 0.00 N ATOM 48217 C2 U B2245 32.885 30.093 -11.735 1.00 0.00 C ATOM 48218 O2 U B2245 34.059 30.106 -11.399 1.00 0.00 O ATOM 48219 N3 U B2245 32.204 31.255 -12.034 1.00 0.00 N ATOM 48220 C4 U B2245 30.885 31.355 -12.426 1.00 0.00 C ATOM 48221 O4 U B2245 30.383 32.454 -12.673 1.00 0.00 O ATOM 48222 C5 U B2245 30.201 30.083 -12.501 1.00 0.00 C ATOM 48223 C6 U B2245 30.836 28.941 -12.214 1.00 0.00 C ATOM 48224 P G B2246 34.487 26.170 -6.958 1.00 0.00 P ATOM 48225 O1P G B2246 35.263 26.343 -8.207 1.00 0.00 O ATOM 48226 O2P G B2246 34.715 24.905 -6.226 1.00 0.00 O ATOM 48227 O5* G B2246 34.743 27.414 -5.984 1.00 0.00 O ATOM 48228 C5* G B2246 35.838 28.303 -6.263 1.00 0.00 C ATOM 48229 C4* G B2246 35.821 29.472 -5.295 1.00 0.00 C ATOM 48230 O4* G B2246 34.649 30.292 -5.573 1.00 0.00 O ATOM 48231 C3* G B2246 35.672 29.109 -3.817 1.00 0.00 C ATOM 48232 O3* G B2246 36.899 28.789 -3.243 1.00 0.00 O ATOM 48233 C2* G B2246 35.061 30.382 -3.234 1.00 0.00 C ATOM 48234 O2* G B2246 36.046 31.393 -3.096 1.00 0.00 O ATOM 48235 C1* G B2246 34.132 30.821 -4.362 1.00 0.00 C ATOM 48236 N9 G B2246 32.732 30.336 -4.207 1.00 0.00 N ATOM 48237 C8 G B2246 32.078 29.335 -4.891 1.00 0.00 C ATOM 48238 N7 G B2246 30.835 29.152 -4.511 1.00 0.00 N ATOM 48239 C5 G B2246 30.656 30.099 -3.503 1.00 0.00 C ATOM 48240 C6 G B2246 29.515 30.384 -2.711 1.00 0.00 C ATOM 48241 O6 G B2246 28.409 29.850 -2.735 1.00 0.00 O ATOM 48242 N1 G B2246 29.767 31.424 -1.805 1.00 0.00 N ATOM 48243 C2 G B2246 30.965 32.100 -1.682 1.00 0.00 C ATOM 48244 N2 G B2246 31.004 33.060 -0.758 1.00 0.00 N ATOM 48245 N3 G B2246 32.035 31.832 -2.426 1.00 0.00 N ATOM 48246 C4 G B2246 31.809 30.825 -3.311 1.00 0.00 C ATOM 48247 P A B2247 36.948 27.653 -2.072 1.00 0.00 P ATOM 48248 O1P A B2247 38.342 27.198 -1.858 1.00 0.00 O ATOM 48249 O2P A B2247 35.964 26.592 -2.377 1.00 0.00 O ATOM 48250 O5* A B2247 36.454 28.504 -0.809 1.00 0.00 O ATOM 48251 C5* A B2247 37.223 29.645 -0.393 1.00 0.00 C ATOM 48252 C4* A B2247 36.513 30.369 0.734 1.00 0.00 C ATOM 48253 O4* A B2247 35.290 30.964 0.212 1.00 0.00 O ATOM 48254 C3* A B2247 36.031 29.490 1.887 1.00 0.00 C ATOM 48255 O3* A B2247 37.047 29.263 2.814 1.00 0.00 O ATOM 48256 C2* A B2247 34.885 30.318 2.463 1.00 0.00 C ATOM 48257 O2* A B2247 35.381 31.402 3.229 1.00 0.00 O ATOM 48258 C1* A B2247 34.273 30.914 1.197 1.00 0.00 C ATOM 48259 N9 A B2247 33.139 30.118 0.649 1.00 0.00 N ATOM 48260 C8 A B2247 33.110 29.305 -0.463 1.00 0.00 C ATOM 48261 N7 A B2247 31.959 28.746 -0.673 1.00 0.00 N ATOM 48262 C5 A B2247 31.162 29.212 0.363 1.00 0.00 C ATOM 48263 C6 A B2247 29.820 28.983 0.704 1.00 0.00 C ATOM 48264 N6 A B2247 29.005 28.186 -0.001 1.00 0.00 N ATOM 48265 N1 A B2247 29.344 29.604 1.799 1.00 0.00 N ATOM 48266 C2 A B2247 30.159 30.394 2.496 1.00 0.00 C ATOM 48267 N3 A B2247 31.424 30.683 2.276 1.00 0.00 N ATOM 48268 C4 A B2247 31.876 30.047 1.174 1.00 0.00 C ATOM 48269 P C B2248 37.092 27.826 3.590 1.00 0.00 P ATOM 48270 O1P C B2248 38.411 27.634 4.233 1.00 0.00 O ATOM 48271 O2P C B2248 36.663 26.754 2.665 1.00 0.00 O ATOM 48272 O5* C B2248 35.972 28.054 4.710 1.00 0.00 O ATOM 48273 C5* C B2248 36.145 29.117 5.664 1.00 0.00 C ATOM 48274 C4* C B2248 34.917 29.231 6.545 1.00 0.00 C ATOM 48275 O4* C B2248 33.800 29.697 5.734 1.00 0.00 O ATOM 48276 C3* C B2248 34.410 27.923 7.155 1.00 0.00 C ATOM 48277 O3* C B2248 35.094 27.607 8.326 1.00 0.00 O ATOM 48278 C2* C B2248 32.935 28.233 7.396 1.00 0.00 C ATOM 48279 O2* C B2248 32.774 29.059 8.537 1.00 0.00 O ATOM 48280 C1* C B2248 32.595 29.088 6.178 1.00 0.00 C ATOM 48281 N1 C B2248 32.028 28.310 5.041 1.00 0.00 N ATOM 48282 C2 C B2248 30.715 27.863 5.154 1.00 0.00 C ATOM 48283 O2 C B2248 30.079 28.129 6.182 1.00 0.00 O ATOM 48284 N3 C B2248 30.175 27.154 4.131 1.00 0.00 N ATOM 48285 C4 C B2248 30.896 26.888 3.033 1.00 0.00 C ATOM 48286 N4 C B2248 30.324 26.192 2.061 1.00 0.00 N ATOM 48287 C5 C B2248 32.249 27.339 2.898 1.00 0.00 C ATOM 48288 C6 C B2248 32.768 28.045 3.933 1.00 0.00 C ATOM 48289 P U B2249 35.361 26.035 8.683 1.00 0.00 P ATOM 48290 O1P U B2249 36.392 25.919 9.737 1.00 0.00 O ATOM 48291 O2P U B2249 35.629 25.290 7.433 1.00 0.00 O ATOM 48292 O5* U B2249 33.935 25.616 9.270 1.00 0.00 O ATOM 48293 C5* U B2249 33.433 26.288 10.440 1.00 0.00 C ATOM 48294 C4* U B2249 32.024 25.823 10.744 1.00 0.00 C ATOM 48295 O4* U B2249 31.135 26.291 9.690 1.00 0.00 O ATOM 48296 C3* U B2249 31.811 24.308 10.761 1.00 0.00 C ATOM 48297 O3* U B2249 32.150 23.756 11.993 1.00 0.00 O ATOM 48298 C2* U B2249 30.321 24.191 10.450 1.00 0.00 C ATOM 48299 O2* U B2249 29.545 24.513 11.589 1.00 0.00 O ATOM 48300 C1* U B2249 30.126 25.324 9.447 1.00 0.00 C ATOM 48301 N1 U B2249 30.238 24.890 8.026 1.00 0.00 N ATOM 48302 C2 U B2249 29.188 24.172 7.504 1.00 0.00 C ATOM 48303 O2 U B2249 28.195 23.888 8.153 1.00 0.00 O ATOM 48304 N3 U B2249 29.325 23.789 6.186 1.00 0.00 N ATOM 48305 C4 U B2249 30.402 24.055 5.364 1.00 0.00 C ATOM 48306 O4 U B2249 30.414 23.657 4.196 1.00 0.00 O ATOM 48307 C5 U B2249 31.455 24.811 5.999 1.00 0.00 C ATOM 48308 C6 U B2249 31.347 25.197 7.282 1.00 0.00 C ATOM 48309 P G B2250 32.792 22.257 12.033 1.00 0.00 P ATOM 48310 O1P G B2250 33.412 21.998 13.353 1.00 0.00 O ATOM 48311 O2P G B2250 33.675 22.069 10.861 1.00 0.00 O ATOM 48312 O5* G B2250 31.477 21.363 11.871 1.00 0.00 O ATOM 48313 C5* G B2250 30.438 21.461 12.862 1.00 0.00 C ATOM 48314 C4* G B2250 29.244 20.627 12.446 1.00 0.00 C ATOM 48315 O4* G B2250 28.633 21.233 11.271 1.00 0.00 O ATOM 48316 C3* G B2250 29.548 19.195 12.006 1.00 0.00 C ATOM 48317 O3* G B2250 29.638 18.333 13.099 1.00 0.00 O ATOM 48318 C2* G B2250 28.362 18.878 11.101 1.00 0.00 C ATOM 48319 O2* G B2250 27.200 18.606 11.869 1.00 0.00 O ATOM 48320 C1* G B2250 28.133 20.220 10.412 1.00 0.00 C ATOM 48321 N9 G B2250 28.827 20.344 9.100 1.00 0.00 N ATOM 48322 C8 G B2250 29.953 21.071 8.775 1.00 0.00 C ATOM 48323 N7 G B2250 30.310 20.966 7.519 1.00 0.00 N ATOM 48324 C5 G B2250 29.355 20.111 6.971 1.00 0.00 C ATOM 48325 C6 G B2250 29.216 19.622 5.645 1.00 0.00 C ATOM 48326 O6 G B2250 29.921 19.851 4.665 1.00 0.00 O ATOM 48327 N1 G B2250 28.107 18.779 5.525 1.00 0.00 N ATOM 48328 C2 G B2250 27.241 18.444 6.550 1.00 0.00 C ATOM 48329 N2 G B2250 26.241 17.621 6.232 1.00 0.00 N ATOM 48330 N3 G B2250 27.373 18.900 7.795 1.00 0.00 N ATOM 48331 C4 G B2250 28.447 19.726 7.930 1.00 0.00 C HETATM48332 P 7MG B2251 31.284 17.518 13.051 1.00 0.00 P HETATM48333 O1P 7MG B2251 32.387 18.456 13.354 1.00 0.00 O HETATM48334 O2P 7MG B2251 31.256 16.274 13.850 1.00 0.00 O HETATM48335 O5* 7MG B2251 31.171 17.189 11.254 1.00 0.00 O HETATM48336 C5* 7MG B2251 31.103 17.172 9.803 1.00 0.00 C HETATM48337 C4* 7MG B2251 31.661 15.808 9.077 1.00 0.00 C HETATM48338 O4* 7MG B2251 32.859 15.245 9.680 1.00 0.00 O HETATM48339 C3* 7MG B2251 30.752 14.595 8.873 1.00 0.00 C HETATM48340 O3* 7MG B2251 29.609 14.841 7.872 1.00 0.00 O HETATM48341 C2* 7MG B2251 31.756 13.501 8.510 1.00 0.00 C HETATM48342 O2* 7MG B2251 32.193 13.645 7.172 1.00 0.00 O HETATM48343 C1* 7MG B2251 32.935 13.856 9.407 1.00 0.00 C HETATM48344 N9 7MG B2251 32.984 12.845 11.202 1.00 0.00 N HETATM48345 C8 7MG B2251 32.928 13.465 12.427 1.00 0.00 C HETATM48346 N7 7MG B2251 33.164 12.664 13.439 1.00 0.00 N HETATM48347 C5 7MG B2251 33.395 11.425 12.838 1.00 0.00 C HETATM48348 C6 7MG B2251 33.701 10.174 13.422 1.00 0.00 C HETATM48349 O6 7MG B2251 33.842 9.886 14.608 1.00 0.00 O HETATM48350 N1 7MG B2251 33.856 9.179 12.447 1.00 0.00 N HETATM48351 C2 7MG B2251 33.731 9.411 11.078 1.00 0.00 C HETATM48352 N2 7MG B2251 33.914 8.296 10.318 1.00 0.00 N HETATM48353 N3 7MG B2251 33.438 10.553 10.539 1.00 0.00 N HETATM48354 C4 7MG B2251 33.287 11.527 11.472 1.00 0.00 C HETATM48355 CM7 7MG B2251 33.185 12.965 14.839 1.00 0.00 C ATOM 48356 P G B2252 27.950 14.263 8.366 1.00 0.00 P ATOM 48357 O1P G B2252 26.913 15.296 8.140 1.00 0.00 O ATOM 48358 O2P G B2252 27.950 13.631 9.703 1.00 0.00 O ATOM 48359 O5* G B2252 27.968 13.038 7.023 1.00 0.00 O ATOM 48360 C5* G B2252 28.751 12.900 5.831 1.00 0.00 C ATOM 48361 C4* G B2252 27.993 12.195 4.592 1.00 0.00 C ATOM 48362 O4* G B2252 26.639 11.671 4.723 1.00 0.00 O ATOM 48363 C3* G B2252 28.064 12.675 3.140 1.00 0.00 C ATOM 48364 O3* G B2252 29.244 13.440 2.586 1.00 0.00 O ATOM 48365 C2* G B2252 27.216 11.633 2.417 1.00 0.00 C ATOM 48366 O2* G B2252 27.937 10.421 2.262 1.00 0.00 O ATOM 48367 C1* G B2252 26.117 11.364 3.439 1.00 0.00 C ATOM 48368 N9 G B2252 24.678 12.281 3.204 1.00 0.00 N ATOM 48369 C8 G B2252 24.012 12.571 2.032 1.00 0.00 C ATOM 48370 N7 G B2252 22.914 13.267 2.204 1.00 0.00 N ATOM 48371 C5 G B2252 22.850 13.450 3.585 1.00 0.00 C ATOM 48372 C6 G B2252 21.886 14.130 4.372 1.00 0.00 C ATOM 48373 O6 G B2252 20.870 14.720 4.010 1.00 0.00 O ATOM 48374 N1 G B2252 22.208 14.074 5.736 1.00 0.00 N ATOM 48375 C2 G B2252 23.312 13.443 6.271 1.00 0.00 C ATOM 48376 N2 G B2252 23.440 13.503 7.596 1.00 0.00 N ATOM 48377 N3 G B2252 24.218 12.807 5.531 1.00 0.00 N ATOM 48378 C4 G B2252 23.923 12.853 4.203 1.00 0.00 C ATOM 48379 P G B2253 30.555 12.507 1.729 1.00 0.00 P ATOM 48380 O1P G B2253 30.641 11.089 2.139 1.00 0.00 O ATOM 48381 O2P G B2253 31.822 13.269 1.766 1.00 0.00 O ATOM 48382 O5* G B2253 29.629 12.667 0.175 1.00 0.00 O ATOM 48383 C5* G B2253 28.617 13.340 -0.606 1.00 0.00 C ATOM 48384 C4* G B2253 29.229 14.655 -1.356 1.00 0.00 C ATOM 48385 O4* G B2253 30.654 14.808 -1.092 1.00 0.00 O ATOM 48386 C3* G B2253 29.097 14.943 -2.852 1.00 0.00 C ATOM 48387 O3* G B2253 27.665 14.896 -3.536 1.00 0.00 O ATOM 48388 C2* G B2253 30.140 16.042 -3.059 1.00 0.00 C ATOM 48389 O2* G B2253 29.659 17.283 -2.572 1.00 0.00 O ATOM 48390 C1* G B2253 31.247 15.593 -2.116 1.00 0.00 C ATOM 48391 N9 G B2253 32.500 14.655 -2.865 1.00 0.00 N ATOM 48392 C8 G B2253 32.851 13.339 -2.648 1.00 0.00 C ATOM 48393 N7 G B2253 33.929 12.960 -3.281 1.00 0.00 N ATOM 48394 C5 G B2253 34.331 14.104 -3.968 1.00 0.00 C ATOM 48395 C6 G B2253 35.439 14.318 -4.827 1.00 0.00 C ATOM 48396 O6 G B2253 36.310 13.522 -5.167 1.00 0.00 O ATOM 48397 N1 G B2253 35.469 15.628 -5.317 1.00 0.00 N ATOM 48398 C2 G B2253 34.547 16.612 -5.010 1.00 0.00 C ATOM 48399 N2 G B2253 34.751 17.805 -5.578 1.00 0.00 N ATOM 48400 N3 G B2253 33.510 16.416 -4.199 1.00 0.00 N ATOM 48401 C4 G B2253 33.464 15.147 -3.718 1.00 0.00 C ATOM 48402 P C B2254 26.687 16.438 -3.891 1.00 0.00 P ATOM 48403 O1P C B2254 25.802 16.584 -5.068 1.00 0.00 O ATOM 48404 O2P C B2254 27.765 17.442 -3.767 1.00 0.00 O ATOM 48405 O5* C B2254 25.807 16.420 -2.553 1.00 0.00 O ATOM 48406 C5* C B2254 24.752 15.451 -2.423 1.00 0.00 C ATOM 48407 C4* C B2254 24.140 15.534 -1.038 1.00 0.00 C ATOM 48408 O4* C B2254 25.122 15.083 -0.062 1.00 0.00 O ATOM 48409 C3* C B2254 23.760 16.933 -0.561 1.00 0.00 C ATOM 48410 O3* C B2254 22.501 17.312 -1.025 1.00 0.00 O ATOM 48411 C2* C B2254 23.805 16.777 0.956 1.00 0.00 C ATOM 48412 O2* C B2254 22.656 16.088 1.426 1.00 0.00 O ATOM 48413 C1* C B2254 24.989 15.832 1.134 1.00 0.00 C ATOM 48414 N1 C B2254 26.280 16.534 1.385 1.00 0.00 N ATOM 48415 C2 C B2254 26.480 17.098 2.641 1.00 0.00 C ATOM 48416 O2 C B2254 25.587 16.993 3.490 1.00 0.00 O ATOM 48417 N3 C B2254 27.650 17.739 2.888 1.00 0.00 N ATOM 48418 C4 C B2254 28.595 17.830 1.941 1.00 0.00 C ATOM 48419 N4 C B2254 29.718 18.468 2.233 1.00 0.00 N ATOM 48420 C5 C B2254 28.408 17.257 0.643 1.00 0.00 C ATOM 48421 C6 C B2254 27.232 16.618 0.415 1.00 0.00 C ATOM 48422 P G B2255 22.234 18.883 -1.380 1.00 0.00 P ATOM 48423 O1P G B2255 21.001 19.022 -2.187 1.00 0.00 O ATOM 48424 O2P G B2255 23.457 19.472 -1.964 1.00 0.00 O ATOM 48425 O5* G B2255 21.993 19.481 0.087 1.00 0.00 O ATOM 48426 C5* G B2255 20.899 18.976 0.875 1.00 0.00 C ATOM 48427 C4* G B2255 20.931 19.589 2.261 1.00 0.00 C ATOM 48428 O4* G B2255 22.106 19.090 2.966 1.00 0.00 O ATOM 48429 C3* G B2255 21.089 21.107 2.312 1.00 0.00 C ATOM 48430 O3* G B2255 19.864 21.752 2.172 1.00 0.00 O ATOM 48431 C2* G B2255 21.710 21.319 3.692 1.00 0.00 C ATOM 48432 O2* G B2255 20.732 21.182 4.711 1.00 0.00 O ATOM 48433 C1* G B2255 22.633 20.108 3.802 1.00 0.00 C ATOM 48434 N9 G B2255 24.030 20.382 3.366 1.00 0.00 N ATOM 48435 C8 G B2255 24.649 20.068 2.175 1.00 0.00 C ATOM 48436 N7 G B2255 25.902 20.453 2.107 1.00 0.00 N ATOM 48437 C5 G B2255 26.129 21.066 3.338 1.00 0.00 C ATOM 48438 C6 G B2255 27.299 21.676 3.853 1.00 0.00 C ATOM 48439 O6 G B2255 28.397 21.810 3.319 1.00 0.00 O ATOM 48440 N1 G B2255 27.093 22.173 5.147 1.00 0.00 N ATOM 48441 C2 G B2255 25.908 22.089 5.852 1.00 0.00 C ATOM 48442 N2 G B2255 25.913 22.624 7.075 1.00 0.00 N ATOM 48443 N3 G B2255 24.809 21.514 5.370 1.00 0.00 N ATOM 48444 C4 G B2255 24.993 21.025 4.114 1.00 0.00 C ATOM 48445 P G B2256 19.818 23.191 1.398 1.00 0.00 P ATOM 48446 O1P G B2256 18.425 23.529 1.029 1.00 0.00 O ATOM 48447 O2P G B2256 20.795 23.183 0.287 1.00 0.00 O ATOM 48448 O5* G B2256 20.323 24.172 2.558 1.00 0.00 O ATOM 48449 C5* G B2256 19.564 24.265 3.775 1.00 0.00 C ATOM 48450 C4* G B2256 20.287 25.146 4.773 1.00 0.00 C ATOM 48451 O4* G B2256 21.508 24.477 5.197 1.00 0.00 O ATOM 48452 C3* G B2256 20.774 26.495 4.240 1.00 0.00 C ATOM 48453 O3* G B2256 19.762 27.454 4.280 1.00 0.00 O ATOM 48454 C2* G B2256 21.928 26.815 5.186 1.00 0.00 C ATOM 48455 O2* G B2256 21.444 27.262 6.440 1.00 0.00 O ATOM 48456 C1* G B2256 22.534 25.434 5.409 1.00 0.00 C ATOM 48457 N9 G B2256 23.659 25.117 4.485 1.00 0.00 N ATOM 48458 C8 G B2256 23.682 24.270 3.399 1.00 0.00 C ATOM 48459 N7 G B2256 24.841 24.213 2.789 1.00 0.00 N ATOM 48460 C5 G B2256 25.644 25.084 3.523 1.00 0.00 C ATOM 48461 C6 G B2256 27.005 25.441 3.345 1.00 0.00 C ATOM 48462 O6 G B2256 27.797 25.057 2.490 1.00 0.00 O ATOM 48463 N1 G B2256 27.423 26.361 4.317 1.00 0.00 N ATOM 48464 C2 G B2256 26.631 26.869 5.328 1.00 0.00 C ATOM 48465 N2 G B2256 27.220 27.735 6.155 1.00 0.00 N ATOM 48466 N3 G B2256 25.354 26.535 5.493 1.00 0.00 N ATOM 48467 C4 G B2256 24.932 25.642 4.560 1.00 0.00 C ATOM 48468 P U B2257 19.714 28.591 3.108 1.00 0.00 P ATOM 48469 O1P U B2257 18.401 29.271 3.111 1.00 0.00 O ATOM 48470 O2P U B2257 20.132 27.994 1.823 1.00 0.00 O ATOM 48471 O5* U B2257 20.846 29.601 3.625 1.00 0.00 O ATOM 48472 C5* U B2257 20.681 30.231 4.912 1.00 0.00 C ATOM 48473 C4* U B2257 21.919 31.040 5.252 1.00 0.00 C ATOM 48474 O4* U B2257 23.032 30.130 5.470 1.00 0.00 O ATOM 48475 C3* U B2257 22.423 31.980 4.157 1.00 0.00 C ATOM 48476 O3* U B2257 21.746 33.199 4.180 1.00 0.00 O ATOM 48477 C2* U B2257 23.902 32.121 4.509 1.00 0.00 C ATOM 48478 O2* U B2257 24.075 32.991 5.614 1.00 0.00 O ATOM 48479 C1* U B2257 24.235 30.714 4.996 1.00 0.00 C ATOM 48480 N1 U B2257 24.794 29.830 3.936 1.00 0.00 N ATOM 48481 C2 U B2257 26.089 30.062 3.543 1.00 0.00 C ATOM 48482 O2 U B2257 26.778 30.946 4.025 1.00 0.00 O ATOM 48483 N3 U B2257 26.572 29.223 2.558 1.00 0.00 N ATOM 48484 C4 U B2257 25.881 28.195 1.947 1.00 0.00 C ATOM 48485 O4 U B2257 26.419 27.510 1.077 1.00 0.00 O ATOM 48486 C5 U B2257 24.529 28.029 2.424 1.00 0.00 C ATOM 48487 C6 U B2257 24.034 28.834 3.381 1.00 0.00 C ATOM 48488 P C B2258 21.473 33.969 2.766 1.00 0.00 P ATOM 48489 O1P C B2258 20.450 35.022 2.948 1.00 0.00 O ATOM 48490 O2P C B2258 21.192 32.973 1.710 1.00 0.00 O ATOM 48491 O5* C B2258 22.904 34.642 2.509 1.00 0.00 O ATOM 48492 C5* C B2258 23.415 35.582 3.475 1.00 0.00 C ATOM 48493 C4* C B2258 24.824 35.995 3.099 1.00 0.00 C ATOM 48494 O4* C B2258 25.707 34.848 3.252 1.00 0.00 O ATOM 48495 C3* C B2258 25.027 36.422 1.644 1.00 0.00 C ATOM 48496 O3* C B2258 24.696 37.760 1.452 1.00 0.00 O ATOM 48497 C2* C B2258 26.515 36.147 1.434 1.00 0.00 C ATOM 48498 O2* C B2258 27.302 37.152 2.050 1.00 0.00 O ATOM 48499 C1* C B2258 26.711 34.870 2.248 1.00 0.00 C ATOM 48500 N1 C B2258 26.586 33.623 1.443 1.00 0.00 N ATOM 48501 C2 C B2258 27.633 33.293 0.591 1.00 0.00 C ATOM 48502 O2 C B2258 28.613 34.045 0.533 1.00 0.00 O ATOM 48503 N3 C B2258 27.541 32.161 -0.152 1.00 0.00 N ATOM 48504 C4 C B2258 26.459 31.375 -0.062 1.00 0.00 C ATOM 48505 N4 C B2258 26.416 30.280 -0.806 1.00 0.00 N ATOM 48506 C5 C B2258 25.371 31.695 0.811 1.00 0.00 C ATOM 48507 C6 C B2258 25.484 32.832 1.543 1.00 0.00 C ATOM 48508 P U B2259 26.024 39.419 0.890 1.00 0.00 P ATOM 48509 O1P U B2259 27.299 40.024 0.446 1.00 0.00 O ATOM 48510 O2P U B2259 25.580 38.226 0.135 1.00 0.00 O ATOM 48511 O5* U B2259 24.867 40.524 0.883 1.00 0.00 O ATOM 48512 C5* U B2259 23.559 40.168 1.367 1.00 0.00 C ATOM 48513 C4* U B2259 22.662 41.391 1.389 1.00 0.00 C ATOM 48514 O4* U B2259 23.148 42.313 2.403 1.00 0.00 O ATOM 48515 C3* U B2259 22.647 42.228 0.109 1.00 0.00 C ATOM 48516 O3* U B2259 21.749 41.714 -0.827 1.00 0.00 O ATOM 48517 C2* U B2259 22.232 43.601 0.630 1.00 0.00 C ATOM 48518 O2* U B2259 20.845 43.637 0.907 1.00 0.00 O ATOM 48519 C1* U B2259 22.957 43.652 1.970 1.00 0.00 C ATOM 48520 N1 U B2259 24.289 44.311 1.909 1.00 0.00 N ATOM 48521 C2 U B2259 24.306 45.680 1.789 1.00 0.00 C ATOM 48522 O2 U B2259 23.289 46.352 1.732 1.00 0.00 O ATOM 48523 N3 U B2259 25.560 46.257 1.733 1.00 0.00 N ATOM 48524 C4 U B2259 26.769 45.594 1.789 1.00 0.00 C ATOM 48525 O4 U B2259 27.831 46.220 1.732 1.00 0.00 O ATOM 48526 C5 U B2259 26.651 44.162 1.917 1.00 0.00 C ATOM 48527 C6 U B2259 25.443 43.574 1.972 1.00 0.00 C ATOM 48528 P C B2260 22.110 41.847 -2.411 1.00 0.00 P ATOM 48529 O1P C B2260 21.249 40.941 -3.210 1.00 0.00 O ATOM 48530 O2P C B2260 23.568 41.680 -2.602 1.00 0.00 O ATOM 48531 O5* C B2260 21.696 43.366 -2.691 1.00 0.00 O ATOM 48532 C5* C B2260 20.334 43.772 -2.476 1.00 0.00 C ATOM 48533 C4* C B2260 20.196 45.266 -2.676 1.00 0.00 C ATOM 48534 O4* C B2260 20.913 45.951 -1.608 1.00 0.00 O ATOM 48535 C3* C B2260 20.818 45.827 -3.956 1.00 0.00 C ATOM 48536 O3* C B2260 19.952 45.709 -5.040 1.00 0.00 O ATOM 48537 C2* C B2260 21.085 47.282 -3.571 1.00 0.00 C ATOM 48538 O2* C B2260 19.884 48.032 -3.585 1.00 0.00 O ATOM 48539 C1* C B2260 21.502 47.140 -2.110 1.00 0.00 C ATOM 48540 N1 C B2260 22.974 47.041 -1.913 1.00 0.00 N ATOM 48541 C2 C B2260 23.729 48.201 -2.069 1.00 0.00 C ATOM 48542 O2 C B2260 23.152 49.255 -2.358 1.00 0.00 O ATOM 48543 N3 C B2260 25.073 48.132 -1.896 1.00 0.00 N ATOM 48544 C4 C B2260 25.664 46.970 -1.582 1.00 0.00 C ATOM 48545 N4 C B2260 26.979 46.955 -1.423 1.00 0.00 N ATOM 48546 C5 C B2260 24.904 45.767 -1.419 1.00 0.00 C ATOM 48547 C6 C B2260 23.563 45.856 -1.596 1.00 0.00 C ATOM 48548 P C B2261 20.581 45.439 -6.522 1.00 0.00 P ATOM 48549 O1P C B2261 19.524 44.983 -7.452 1.00 0.00 O ATOM 48550 O2P C B2261 21.760 44.551 -6.402 1.00 0.00 O ATOM 48551 O5* C B2261 21.053 46.914 -6.921 1.00 0.00 O ATOM 48552 C5* C B2261 20.071 47.965 -7.006 1.00 0.00 C ATOM 48553 C4* C B2261 20.751 49.291 -7.271 1.00 0.00 C ATOM 48554 O4* C B2261 21.530 49.663 -6.098 1.00 0.00 O ATOM 48555 C3* C B2261 21.771 49.299 -8.412 1.00 0.00 C ATOM 48556 O3* C B2261 21.156 49.486 -9.647 1.00 0.00 O ATOM 48557 C2* C B2261 22.675 50.467 -8.021 1.00 0.00 C ATOM 48558 O2* C B2261 22.046 51.706 -8.305 1.00 0.00 O ATOM 48559 C1* C B2261 22.717 50.331 -6.501 1.00 0.00 C ATOM 48560 N1 C B2261 23.879 49.543 -6.004 1.00 0.00 N ATOM 48561 C2 C B2261 25.132 50.147 -6.033 1.00 0.00 C ATOM 48562 O2 C B2261 25.229 51.300 -6.466 1.00 0.00 O ATOM 48563 N3 C B2261 26.205 49.446 -5.583 1.00 0.00 N ATOM 48564 C4 C B2261 26.060 48.197 -5.122 1.00 0.00 C ATOM 48565 N4 C B2261 27.137 47.556 -4.696 1.00 0.00 N ATOM 48566 C5 C B2261 24.779 47.558 -5.086 1.00 0.00 C ATOM 48567 C6 C B2261 23.721 48.274 -5.539 1.00 0.00 C ATOM 48568 P U B2262 21.791 48.749 -10.959 1.00 0.00 P ATOM 48569 O1P U B2262 20.817 48.760 -12.072 1.00 0.00 O ATOM 48570 O2P U B2262 22.315 47.421 -10.571 1.00 0.00 O ATOM 48571 O5* U B2262 23.008 49.734 -11.293 1.00 0.00 O ATOM 48572 C5* U B2262 22.727 51.110 -11.609 1.00 0.00 C ATOM 48573 C4* U B2262 24.021 51.881 -11.767 1.00 0.00 C ATOM 48574 O4* U B2262 24.679 51.968 -10.472 1.00 0.00 O ATOM 48575 C3* U B2262 25.074 51.238 -12.671 1.00 0.00 C ATOM 48576 O3* U B2262 24.851 51.542 -14.015 1.00 0.00 O ATOM 48577 C2* U B2262 26.370 51.846 -12.137 1.00 0.00 C ATOM 48578 O2* U B2262 26.516 53.183 -12.581 1.00 0.00 O ATOM 48579 C1* U B2262 26.087 51.903 -10.639 1.00 0.00 C ATOM 48580 N1 U B2262 26.586 50.716 -9.891 1.00 0.00 N ATOM 48581 C2 U B2262 27.943 50.629 -9.687 1.00 0.00 C ATOM 48582 O2 U B2262 28.728 51.470 -10.090 1.00 0.00 O ATOM 48583 N3 U B2262 28.368 49.518 -8.990 1.00 0.00 N ATOM 48584 C4 U B2262 27.568 48.508 -8.490 1.00 0.00 C ATOM 48585 O4 U B2262 28.066 47.558 -7.879 1.00 0.00 O ATOM 48586 C5 U B2262 26.160 48.687 -8.753 1.00 0.00 C ATOM 48587 C6 U B2262 25.719 49.763 -9.430 1.00 0.00 C ATOM 48588 P C B2263 25.227 50.424 -15.143 1.00 0.00 P ATOM 48589 O1P C B2263 24.590 50.771 -16.434 1.00 0.00 O ATOM 48590 O2P C B2263 24.927 49.074 -14.618 1.00 0.00 O ATOM 48591 O5* C B2263 26.810 50.627 -15.248 1.00 0.00 O ATOM 48592 C5* C B2263 27.328 51.905 -15.654 1.00 0.00 C ATOM 48593 C4* C B2263 28.839 51.911 -15.566 1.00 0.00 C ATOM 48594 O4* C B2263 29.228 51.828 -14.163 1.00 0.00 O ATOM 48595 C3* C B2263 29.547 50.721 -16.214 1.00 0.00 C ATOM 48596 O3* C B2263 29.732 50.918 -17.580 1.00 0.00 O ATOM 48597 C2* C B2263 30.863 50.673 -15.441 1.00 0.00 C ATOM 48598 O2* C B2263 31.744 51.694 -15.883 1.00 0.00 O ATOM 48599 C1* C B2263 30.410 51.056 -14.037 1.00 0.00 C ATOM 48600 N1 C B2263 30.103 49.886 -13.166 1.00 0.00 N ATOM 48601 C2 C B2263 31.174 49.149 -12.672 1.00 0.00 C ATOM 48602 O2 C B2263 32.326 49.489 -12.972 1.00 0.00 O ATOM 48603 N3 C B2263 30.917 48.076 -11.878 1.00 0.00 N ATOM 48604 C4 C B2263 29.659 47.739 -11.576 1.00 0.00 C ATOM 48605 N4 C B2263 29.460 46.687 -10.795 1.00 0.00 N ATOM 48606 C5 C B2263 28.543 48.486 -12.074 1.00 0.00 C ATOM 48607 C6 C B2263 28.821 49.551 -12.868 1.00 0.00 C ATOM 48608 P C B2264 29.666 49.627 -18.576 1.00 0.00 P ATOM 48609 O1P C B2264 29.514 50.070 -19.980 1.00 0.00 O ATOM 48610 O2P C B2264 28.637 48.679 -18.086 1.00 0.00 O ATOM 48611 O5* C B2264 31.124 49.002 -18.359 1.00 0.00 O ATOM 48612 C5* C B2264 32.278 49.798 -18.686 1.00 0.00 C ATOM 48613 C4* C B2264 33.542 49.066 -18.285 1.00 0.00 C ATOM 48614 O4* C B2264 33.599 48.985 -16.833 1.00 0.00 O ATOM 48615 C3* C B2264 33.641 47.608 -18.740 1.00 0.00 C ATOM 48616 O3* C B2264 34.120 47.509 -20.044 1.00 0.00 O ATOM 48617 C2* C B2264 34.601 47.016 -17.712 1.00 0.00 C ATOM 48618 O2* C B2264 35.937 47.402 -17.993 1.00 0.00 O ATOM 48619 C1* C B2264 34.184 47.753 -16.443 1.00 0.00 C ATOM 48620 N1 C B2264 33.187 47.010 -15.620 1.00 0.00 N ATOM 48621 C2 C B2264 33.635 45.910 -14.895 1.00 0.00 C ATOM 48622 O2 C B2264 34.829 45.598 -14.961 1.00 0.00 O ATOM 48623 N3 C B2264 32.742 45.221 -14.139 1.00 0.00 N ATOM 48624 C4 C B2264 31.456 45.589 -14.095 1.00 0.00 C ATOM 48625 N4 C B2264 30.626 44.884 -13.341 1.00 0.00 N ATOM 48626 C5 C B2264 30.975 46.717 -14.835 1.00 0.00 C ATOM 48627 C6 C B2264 31.883 47.392 -15.584 1.00 0.00 C ATOM 48628 P U B2265 35.468 46.438 -20.757 1.00 0.00 P ATOM 48629 O1P U B2265 36.795 46.891 -20.283 1.00 0.00 O ATOM 48630 O2P U B2265 35.285 46.411 -22.227 1.00 0.00 O ATOM 48631 O5* U B2265 35.111 44.770 -20.058 1.00 0.00 O ATOM 48632 C5* U B2265 35.310 43.409 -20.560 1.00 0.00 C ATOM 48633 C4* U B2265 36.804 42.718 -20.555 1.00 0.00 C ATOM 48634 O4* U B2265 37.893 42.999 -21.483 1.00 0.00 O ATOM 48635 C3* U B2265 37.282 41.475 -19.801 1.00 0.00 C ATOM 48636 O3* U B2265 36.498 40.785 -18.701 1.00 0.00 O ATOM 48637 C2* U B2265 38.033 40.704 -20.887 1.00 0.00 C ATOM 48638 O2* U B2265 37.120 40.066 -21.765 1.00 0.00 O ATOM 48639 C1* U B2265 38.684 41.841 -21.675 1.00 0.00 C ATOM 48640 N1 U B2265 40.305 42.206 -21.205 1.00 0.00 N ATOM 48641 C2 U B2265 41.298 41.434 -21.748 1.00 0.00 C ATOM 48642 O2 U B2265 41.091 40.583 -22.597 1.00 0.00 O ATOM 48643 N3 U B2265 42.573 41.682 -21.269 1.00 0.00 N ATOM 48644 C4 U B2265 42.923 42.609 -20.315 1.00 0.00 C ATOM 48645 O4 U B2265 44.099 42.737 -19.962 1.00 0.00 O ATOM 48646 C5 U B2265 41.811 43.378 -19.798 1.00 0.00 C ATOM 48647 C6 U B2265 40.563 43.158 -20.250 1.00 0.00 C ATOM 48648 P A B2266 34.854 40.062 -19.006 1.00 0.00 P ATOM 48649 O1P A B2266 34.877 38.899 -19.931 1.00 0.00 O ATOM 48650 O2P A B2266 33.820 41.082 -19.280 1.00 0.00 O ATOM 48651 O5* A B2266 34.854 39.564 -17.256 1.00 0.00 O ATOM 48652 C5* A B2266 35.347 40.351 -16.154 1.00 0.00 C ATOM 48653 C4* A B2266 36.610 39.718 -15.351 1.00 0.00 C ATOM 48654 O4* A B2266 36.336 39.188 -14.023 1.00 0.00 O ATOM 48655 C3* A B2266 37.597 38.712 -15.949 1.00 0.00 C ATOM 48656 O3* A B2266 38.340 39.125 -17.228 1.00 0.00 O ATOM 48657 C2* A B2266 38.429 38.316 -14.736 1.00 0.00 C ATOM 48658 O2* A B2266 39.362 39.339 -14.408 1.00 0.00 O ATOM 48659 C1* A B2266 37.376 38.305 -13.632 1.00 0.00 C ATOM 48660 N9 A B2266 36.698 36.791 -13.322 1.00 0.00 N ATOM 48661 C8 A B2266 35.450 36.325 -13.668 1.00 0.00 C ATOM 48662 N7 A B2266 35.274 35.059 -13.427 1.00 0.00 N ATOM 48663 C5 A B2266 36.484 34.653 -12.880 1.00 0.00 C ATOM 48664 C6 A B2266 36.943 33.409 -12.413 1.00 0.00 C ATOM 48665 N6 A B2266 36.196 32.299 -12.416 1.00 0.00 N ATOM 48666 N1 A B2266 38.200 33.354 -11.934 1.00 0.00 N ATOM 48667 C2 A B2266 38.934 34.464 -11.927 1.00 0.00 C ATOM 48668 N3 A B2266 38.619 35.675 -12.338 1.00 0.00 N ATOM 48669 C4 A B2266 37.355 35.701 -12.812 1.00 0.00 C ATOM 48670 P A B2267 38.542 37.830 -18.503 1.00 0.00 P ATOM 48671 O1P A B2267 37.429 37.824 -19.474 1.00 0.00 O ATOM 48672 O2P A B2267 38.891 36.516 -17.919 1.00 0.00 O ATOM 48673 O5* A B2267 40.002 38.672 -19.184 1.00 0.00 O ATOM 48674 C5* A B2267 40.973 39.226 -20.072 1.00 0.00 C ATOM 48675 C4* A B2267 41.373 38.300 -21.343 1.00 0.00 C ATOM 48676 O4* A B2267 42.038 37.030 -21.096 1.00 0.00 O ATOM 48677 C3* A B2267 40.494 38.024 -22.565 1.00 0.00 C ATOM 48678 O3* A B2267 39.689 39.093 -23.289 1.00 0.00 O ATOM 48679 C2* A B2267 41.366 37.071 -23.376 1.00 0.00 C ATOM 48680 O2* A B2267 42.408 37.770 -24.032 1.00 0.00 O ATOM 48681 C1* A B2267 42.017 36.237 -22.274 1.00 0.00 C ATOM 48682 N9 A B2267 41.227 34.801 -21.927 1.00 0.00 N ATOM 48683 C8 A B2267 40.819 34.324 -20.704 1.00 0.00 C ATOM 48684 N7 A B2267 40.355 33.112 -20.737 1.00 0.00 N ATOM 48685 C5 A B2267 40.463 32.751 -22.072 1.00 0.00 C ATOM 48686 C6 A B2267 40.127 31.575 -22.763 1.00 0.00 C ATOM 48687 N6 A B2267 39.602 30.493 -22.174 1.00 0.00 N ATOM 48688 N1 A B2267 40.361 31.551 -24.087 1.00 0.00 N ATOM 48689 C2 A B2267 40.885 32.629 -24.672 1.00 0.00 C ATOM 48690 N3 A B2267 41.232 33.777 -24.126 1.00 0.00 N ATOM 48691 C4 A B2267 40.989 33.779 -22.805 1.00 0.00 C ATOM 48692 P A B2268 38.423 38.468 -24.444 1.00 0.00 P ATOM 48693 O1P A B2268 37.069 38.559 -23.852 1.00 0.00 O ATOM 48694 O2P A B2268 38.789 37.151 -25.015 1.00 0.00 O ATOM 48695 O5* A B2268 38.726 39.821 -25.631 1.00 0.00 O ATOM 48696 C5* A B2268 38.273 40.476 -26.836 1.00 0.00 C ATOM 48697 C4* A B2268 36.740 40.090 -27.256 1.00 0.00 C ATOM 48698 O4* A B2268 36.461 38.678 -27.469 1.00 0.00 O ATOM 48699 C3* A B2268 35.547 40.585 -26.441 1.00 0.00 C ATOM 48700 O3* A B2268 35.376 42.094 -26.284 1.00 0.00 O ATOM 48701 C2* A B2268 34.396 39.776 -27.036 1.00 0.00 C ATOM 48702 O2* A B2268 34.012 40.298 -28.296 1.00 0.00 O ATOM 48703 C1* A B2268 35.073 38.433 -27.299 1.00 0.00 C ATOM 48704 N9 A B2268 34.881 37.292 -26.063 1.00 0.00 N ATOM 48705 C8 A B2268 35.572 36.118 -25.869 1.00 0.00 C ATOM 48706 N7 A B2268 35.310 35.533 -24.742 1.00 0.00 N ATOM 48707 C5 A B2268 34.384 36.369 -24.137 1.00 0.00 C ATOM 48708 C6 A B2268 33.709 36.306 -22.905 1.00 0.00 C ATOM 48709 N6 A B2268 33.870 35.310 -22.024 1.00 0.00 N ATOM 48710 N1 A B2268 32.855 37.304 -22.617 1.00 0.00 N ATOM 48711 C2 A B2268 32.697 38.292 -23.496 1.00 0.00 C ATOM 48712 N3 A B2268 33.269 38.457 -24.669 1.00 0.00 N ATOM 48713 C4 A B2268 34.118 37.443 -24.937 1.00 0.00 C ATOM 48714 P G B2269 34.248 42.622 -24.946 1.00 0.00 P ATOM 48715 O1P G B2269 34.920 43.543 -24.002 1.00 0.00 O ATOM 48716 O2P G B2269 33.522 41.488 -24.336 1.00 0.00 O ATOM 48717 O5* G B2269 33.246 43.527 -26.167 1.00 0.00 O ATOM 48718 C5* G B2269 33.064 44.194 -27.440 1.00 0.00 C ATOM 48719 C4* G B2269 31.596 43.930 -28.126 1.00 0.00 C ATOM 48720 O4* G B2269 31.493 42.826 -29.073 1.00 0.00 O ATOM 48721 C3* G B2269 30.420 43.706 -27.176 1.00 0.00 C ATOM 48722 O3* G B2269 29.962 44.971 -26.430 1.00 0.00 O ATOM 48723 C2* G B2269 29.347 43.164 -28.117 1.00 0.00 C ATOM 48724 O2* G B2269 28.784 44.208 -28.890 1.00 0.00 O ATOM 48725 C1* G B2269 30.174 42.303 -29.068 1.00 0.00 C ATOM 48726 N9 G B2269 30.254 40.636 -28.641 1.00 0.00 N ATOM 48727 C8 G B2269 31.305 39.927 -28.108 1.00 0.00 C ATOM 48728 N7 G B2269 31.013 38.678 -27.812 1.00 0.00 N ATOM 48729 C5 G B2269 29.671 38.561 -28.182 1.00 0.00 C ATOM 48730 C6 G B2269 28.798 37.444 -28.099 1.00 0.00 C ATOM 48731 O6 G B2269 29.034 36.315 -27.685 1.00 0.00 O ATOM 48732 N1 G B2269 27.516 37.763 -28.581 1.00 0.00 N ATOM 48733 C2 G B2269 27.133 38.997 -29.071 1.00 0.00 C ATOM 48734 N2 G B2269 25.868 39.093 -29.481 1.00 0.00 N ATOM 48735 N3 G B2269 27.953 40.041 -29.142 1.00 0.00 N ATOM 48736 C4 G B2269 29.199 39.749 -28.687 1.00 0.00 C ATOM 48737 P A B2270 29.044 44.662 -24.878 1.00 0.00 P ATOM 48738 O1P A B2270 29.536 45.579 -23.824 1.00 0.00 O ATOM 48739 O2P A B2270 29.005 43.227 -24.514 1.00 0.00 O ATOM 48740 O5* A B2270 27.465 45.215 -25.594 1.00 0.00 O ATOM 48741 C5* A B2270 26.318 45.681 -26.326 1.00 0.00 C ATOM 48742 C4* A B2270 25.048 44.660 -26.325 1.00 0.00 C ATOM 48743 O4* A B2270 25.160 43.449 -27.126 1.00 0.00 O ATOM 48744 C3* A B2270 24.373 44.191 -25.038 1.00 0.00 C ATOM 48745 O3* A B2270 23.811 45.291 -24.133 1.00 0.00 O ATOM 48746 C2* A B2270 23.412 43.123 -25.548 1.00 0.00 C ATOM 48747 O2* A B2270 22.278 43.718 -26.160 1.00 0.00 O ATOM 48748 C1* A B2270 24.232 42.483 -26.664 1.00 0.00 C ATOM 48749 N9 A B2270 25.088 41.102 -26.205 1.00 0.00 N ATOM 48750 C8 A B2270 26.264 41.021 -25.490 1.00 0.00 C ATOM 48751 N7 A B2270 26.590 39.815 -25.142 1.00 0.00 N ATOM 48752 C5 A B2270 25.565 39.030 -25.655 1.00 0.00 C ATOM 48753 C6 A B2270 25.322 37.651 -25.624 1.00 0.00 C ATOM 48754 N6 A B2270 26.140 36.774 -25.022 1.00 0.00 N ATOM 48755 N1 A B2270 24.214 37.201 -26.234 1.00 0.00 N ATOM 48756 C2 A B2270 23.409 38.075 -26.829 1.00 0.00 C ATOM 48757 N3 A B2270 23.530 39.382 -26.924 1.00 0.00 N ATOM 48758 C4 A B2270 24.648 39.810 -26.304 1.00 0.00 C ATOM 48759 P G B2271 24.211 45.107 -22.361 1.00 0.00 P ATOM 48760 O1P G B2271 24.676 46.380 -21.757 1.00 0.00 O ATOM 48761 O2P G B2271 25.060 43.927 -22.099 1.00 0.00 O ATOM 48762 O5* G B2271 22.460 44.798 -21.993 1.00 0.00 O ATOM 48763 C5* G B2271 21.062 44.705 -22.288 1.00 0.00 C ATOM 48764 C4* G B2271 20.462 43.208 -22.111 1.00 0.00 C ATOM 48765 O4* G B2271 20.837 42.201 -23.094 1.00 0.00 O ATOM 48766 C3* G B2271 20.499 42.450 -20.782 1.00 0.00 C ATOM 48767 O3* G B2271 19.811 43.146 -19.603 1.00 0.00 O ATOM 48768 C2* G B2271 19.991 41.068 -21.191 1.00 0.00 C ATOM 48769 O2* G B2271 18.586 41.083 -21.376 1.00 0.00 O ATOM 48770 C1* G B2271 20.617 40.902 -22.573 1.00 0.00 C ATOM 48771 N9 G B2271 22.116 40.053 -22.584 1.00 0.00 N ATOM 48772 C8 G B2271 23.385 40.533 -22.811 1.00 0.00 C ATOM 48773 N7 G B2271 24.318 39.605 -22.802 1.00 0.00 N ATOM 48774 C5 G B2271 23.612 38.431 -22.557 1.00 0.00 C ATOM 48775 C6 G B2271 24.075 37.097 -22.433 1.00 0.00 C ATOM 48776 O6 G B2271 25.221 36.668 -22.523 1.00 0.00 O ATOM 48777 N1 G B2271 23.018 36.208 -22.178 1.00 0.00 N ATOM 48778 C2 G B2271 21.690 36.567 -22.056 1.00 0.00 C ATOM 48779 N2 G B2271 20.835 35.572 -21.809 1.00 0.00 N ATOM 48780 N3 G B2271 21.258 37.818 -22.170 1.00 0.00 N ATOM 48781 C4 G B2271 22.266 38.694 -22.417 1.00 0.00 C ATOM 48782 P U B2272 20.664 42.952 -18.001 1.00 0.00 P ATOM 48783 O1P U B2272 20.471 44.119 -17.106 1.00 0.00 O ATOM 48784 O2P U B2272 22.065 42.505 -18.181 1.00 0.00 O ATOM 48785 O5* U B2272 19.544 41.604 -17.548 1.00 0.00 O ATOM 48786 C5* U B2272 18.576 40.563 -17.543 1.00 0.00 C ATOM 48787 C4* U B2272 19.244 39.100 -17.382 1.00 0.00 C ATOM 48788 O4* U B2272 20.063 38.571 -18.465 1.00 0.00 O ATOM 48789 C3* U B2272 19.952 38.616 -16.119 1.00 0.00 C ATOM 48790 O3* U B2272 19.318 38.832 -14.752 1.00 0.00 O ATOM 48791 C2* U B2272 20.449 37.234 -16.540 1.00 0.00 C ATOM 48792 O2* U B2272 19.389 36.298 -16.545 1.00 0.00 O ATOM 48793 C1* U B2272 20.837 37.480 -17.995 1.00 0.00 C ATOM 48794 N1 U B2272 22.477 37.844 -18.238 1.00 0.00 N ATOM 48795 C2 U B2272 23.338 36.783 -18.399 1.00 0.00 C ATOM 48796 O2 U B2272 22.978 35.621 -18.299 1.00 0.00 O ATOM 48797 N3 U B2272 24.646 37.115 -18.681 1.00 0.00 N ATOM 48798 C4 U B2272 25.158 38.389 -18.808 1.00 0.00 C ATOM 48799 O4 U B2272 26.350 38.569 -19.063 1.00 0.00 O ATOM 48800 C5 U B2272 24.180 39.439 -18.629 1.00 0.00 C ATOM 48801 C6 U B2272 22.902 39.144 -18.354 1.00 0.00 C ATOM 48802 P A B2273 20.454 38.477 -13.366 1.00 0.00 P ATOM 48803 O1P A B2273 20.138 39.263 -12.155 1.00 0.00 O ATOM 48804 O2P A B2273 21.870 38.496 -13.794 1.00 0.00 O ATOM 48805 O5* A B2273 19.775 36.799 -13.258 1.00 0.00 O ATOM 48806 C5* A B2273 19.664 35.540 -13.924 1.00 0.00 C ATOM 48807 C4* A B2273 21.055 34.720 -13.919 1.00 0.00 C ATOM 48808 O4* A B2273 21.799 34.514 -15.152 1.00 0.00 O ATOM 48809 C3* A B2273 22.140 34.895 -12.855 1.00 0.00 C ATOM 48810 O3* A B2273 21.732 34.977 -11.391 1.00 0.00 O ATOM 48811 C2* A B2273 23.218 33.924 -13.339 1.00 0.00 C ATOM 48812 O2* A B2273 22.858 32.587 -13.037 1.00 0.00 O ATOM 48813 C1* A B2273 23.114 34.083 -14.851 1.00 0.00 C ATOM 48814 N9 A B2273 24.203 35.188 -15.520 1.00 0.00 N ATOM 48815 C8 A B2273 24.223 36.558 -15.383 1.00 0.00 C ATOM 48816 N7 A B2273 25.271 37.122 -15.900 1.00 0.00 N ATOM 48817 C5 A B2273 26.002 36.064 -16.417 1.00 0.00 C ATOM 48818 C6 A B2273 27.228 35.999 -17.100 1.00 0.00 C ATOM 48819 N6 A B2273 27.966 37.081 -17.392 1.00 0.00 N ATOM 48820 N1 A B2273 27.668 34.786 -17.479 1.00 0.00 N ATOM 48821 C2 A B2273 26.932 33.714 -17.185 1.00 0.00 C ATOM 48822 N3 A B2273 25.773 33.652 -16.556 1.00 0.00 N ATOM 48823 C4 A B2273 25.359 34.879 -16.193 1.00 0.00 C ATOM 48824 P A B2274 22.793 36.078 -10.395 1.00 0.00 P ATOM 48825 O1P A B2274 22.143 36.473 -9.125 1.00 0.00 O ATOM 48826 O2P A B2274 23.386 37.182 -11.185 1.00 0.00 O ATOM 48827 O5* A B2274 23.947 34.699 -10.188 1.00 0.00 O ATOM 48828 C5* A B2274 24.197 33.515 -10.945 1.00 0.00 C ATOM 48829 C4* A B2274 25.626 33.479 -11.686 1.00 0.00 C ATOM 48830 O4* A B2274 25.907 33.913 -13.049 1.00 0.00 O ATOM 48831 C3* A B2274 26.988 33.532 -10.987 1.00 0.00 C ATOM 48832 O3* A B2274 27.077 33.106 -9.561 1.00 0.00 O ATOM 48833 C2* A B2274 27.933 33.095 -12.108 1.00 0.00 C ATOM 48834 O2* A B2274 27.863 31.696 -12.306 1.00 0.00 O ATOM 48835 C1* A B2274 27.291 33.746 -13.325 1.00 0.00 C ATOM 48836 N9 A B2274 27.931 35.242 -13.738 1.00 0.00 N ATOM 48837 C8 A B2274 27.295 36.462 -13.782 1.00 0.00 C ATOM 48838 N7 A B2274 28.005 37.408 -14.315 1.00 0.00 N ATOM 48839 C5 A B2274 29.196 36.784 -14.655 1.00 0.00 C ATOM 48840 C6 A B2274 30.373 37.251 -15.260 1.00 0.00 C ATOM 48841 N6 A B2274 30.541 38.524 -15.654 1.00 0.00 N ATOM 48842 N1 A B2274 31.371 36.368 -15.449 1.00 0.00 N ATOM 48843 C2 A B2274 31.190 35.107 -15.050 1.00 0.00 C ATOM 48844 N3 A B2274 30.142 34.555 -14.481 1.00 0.00 N ATOM 48845 C4 A B2274 29.163 35.467 -14.302 1.00 0.00 C ATOM 48846 P C B2275 26.776 34.489 -8.427 1.00 0.00 P ATOM 48847 O1P C B2275 26.208 33.988 -7.155 1.00 0.00 O ATOM 48848 O2P C B2275 26.042 35.609 -9.060 1.00 0.00 O ATOM 48849 O5* C B2275 28.562 34.832 -8.330 1.00 0.00 O ATOM 48850 C5* C B2275 29.944 34.842 -7.920 1.00 0.00 C ATOM 48851 C4* C B2275 31.034 35.225 -9.062 1.00 0.00 C ATOM 48852 O4* C B2275 30.524 35.509 -10.399 1.00 0.00 O ATOM 48853 C3* C B2275 32.123 36.271 -8.854 1.00 0.00 C ATOM 48854 O3* C B2275 33.159 35.712 -7.812 1.00 0.00 O ATOM 48855 C2* C B2275 32.722 36.402 -10.254 1.00 0.00 C ATOM 48856 O2* C B2275 33.564 35.294 -10.542 1.00 0.00 O ATOM 48857 C1* C B2275 31.479 36.253 -11.130 1.00 0.00 C ATOM 48858 N1 C B2275 30.762 37.726 -11.604 1.00 0.00 N ATOM 48859 C2 C B2275 31.507 38.579 -12.419 1.00 0.00 C ATOM 48860 O2 C B2275 32.662 38.256 -12.722 1.00 0.00 O ATOM 48861 N3 C B2275 30.939 39.736 -12.842 1.00 0.00 N ATOM 48862 C4 C B2275 29.689 40.050 -12.492 1.00 0.00 C ATOM 48863 N4 C B2275 29.174 41.186 -12.936 1.00 0.00 N ATOM 48864 C5 C B2275 28.904 39.184 -11.659 1.00 0.00 C ATOM 48865 C6 C B2275 29.491 38.035 -11.243 1.00 0.00 C ATOM 48866 P G B2276 33.240 36.831 -6.402 1.00 0.00 P ATOM 48867 O1P G B2276 33.703 36.417 -5.059 1.00 0.00 O ATOM 48868 O2P G B2276 31.952 37.555 -6.446 1.00 0.00 O ATOM 48869 O5* G B2276 34.375 37.703 -7.122 1.00 0.00 O ATOM 48870 C5* G B2276 35.695 37.146 -7.271 1.00 0.00 C ATOM 48871 C4* G B2276 36.565 38.082 -8.083 1.00 0.00 C ATOM 48872 O4* G B2276 36.068 38.120 -9.451 1.00 0.00 O ATOM 48873 C3* G B2276 36.554 39.547 -7.644 1.00 0.00 C ATOM 48874 O3* G B2276 37.455 39.779 -6.608 1.00 0.00 O ATOM 48875 C2* G B2276 36.943 40.268 -8.935 1.00 0.00 C ATOM 48876 O2* G B2276 38.334 40.146 -9.180 1.00 0.00 O ATOM 48877 C1* G B2276 36.230 39.425 -9.987 1.00 0.00 C ATOM 48878 N9 G B2276 34.882 39.943 -10.355 1.00 0.00 N ATOM 48879 C8 G B2276 33.639 39.453 -10.015 1.00 0.00 C ATOM 48880 N7 G B2276 32.639 40.149 -10.506 1.00 0.00 N ATOM 48881 C5 G B2276 33.266 41.168 -11.224 1.00 0.00 C ATOM 48882 C6 G B2276 32.707 42.233 -11.975 1.00 0.00 C ATOM 48883 O6 G B2276 31.525 42.499 -12.169 1.00 0.00 O ATOM 48884 N1 G B2276 33.704 43.039 -12.541 1.00 0.00 N ATOM 48885 C2 G B2276 35.064 42.844 -12.398 1.00 0.00 C ATOM 48886 N2 G B2276 35.853 43.726 -13.016 1.00 0.00 N ATOM 48887 N3 G B2276 35.589 41.845 -11.689 1.00 0.00 N ATOM 48888 C4 G B2276 34.634 41.051 -11.135 1.00 0.00 C ATOM 48889 P G B2277 37.080 40.896 -5.479 1.00 0.00 P ATOM 48890 O1P G B2277 37.952 40.738 -4.292 1.00 0.00 O ATOM 48891 O2P G B2277 35.624 40.862 -5.216 1.00 0.00 O ATOM 48892 O5* G B2277 37.459 42.245 -6.254 1.00 0.00 O ATOM 48893 C5* G B2277 38.820 42.439 -6.687 1.00 0.00 C ATOM 48894 C4* G B2277 38.921 43.714 -7.501 1.00 0.00 C ATOM 48895 O4* G B2277 38.200 43.535 -8.753 1.00 0.00 O ATOM 48896 C3* G B2277 38.279 44.958 -6.882 1.00 0.00 C ATOM 48897 O3* G B2277 39.140 45.584 -5.982 1.00 0.00 O ATOM 48898 C2* G B2277 37.986 45.813 -8.113 1.00 0.00 C ATOM 48899 O2* G B2277 39.171 46.422 -8.596 1.00 0.00 O ATOM 48900 C1* G B2277 37.584 44.753 -9.135 1.00 0.00 C ATOM 48901 N9 G B2277 36.113 44.521 -9.209 1.00 0.00 N ATOM 48902 C8 G B2277 35.374 43.459 -8.734 1.00 0.00 C ATOM 48903 N7 G B2277 34.088 43.560 -8.964 1.00 0.00 N ATOM 48904 C5 G B2277 33.964 44.777 -9.636 1.00 0.00 C ATOM 48905 C6 G B2277 32.813 45.428 -10.140 1.00 0.00 C ATOM 48906 O6 G B2277 31.639 45.062 -10.102 1.00 0.00 O ATOM 48907 N1 G B2277 33.139 46.647 -10.752 1.00 0.00 N ATOM 48908 C2 G B2277 34.411 47.169 -10.859 1.00 0.00 C ATOM 48909 N2 G B2277 34.515 48.345 -11.478 1.00 0.00 N ATOM 48910 N3 G B2277 35.495 46.555 -10.385 1.00 0.00 N ATOM 48911 C4 G B2277 35.194 45.371 -9.789 1.00 0.00 C ATOM 48912 P A B2278 38.505 46.323 -4.673 1.00 0.00 P ATOM 48913 O1P A B2278 39.562 46.597 -3.678 1.00 0.00 O ATOM 48914 O2P A B2278 37.344 45.544 -4.184 1.00 0.00 O ATOM 48915 O5* A B2278 38.000 47.696 -5.319 1.00 0.00 O ATOM 48916 C5* A B2278 38.959 48.572 -5.937 1.00 0.00 C ATOM 48917 C4* A B2278 38.250 49.744 -6.588 1.00 0.00 C ATOM 48918 O4* A B2278 37.472 49.253 -7.718 1.00 0.00 O ATOM 48919 C3* A B2278 37.221 50.465 -5.715 1.00 0.00 C ATOM 48920 O3* A B2278 37.823 51.419 -4.897 1.00 0.00 O ATOM 48921 C2* A B2278 36.296 51.086 -6.761 1.00 0.00 C ATOM 48922 O2* A B2278 36.896 52.228 -7.347 1.00 0.00 O ATOM 48923 C1* A B2278 36.269 50.002 -7.831 1.00 0.00 C ATOM 48924 N9 A B2278 35.127 49.054 -7.694 1.00 0.00 N ATOM 48925 C8 A B2278 35.129 47.751 -7.249 1.00 0.00 C ATOM 48926 N7 A B2278 33.958 47.192 -7.247 1.00 0.00 N ATOM 48927 C5 A B2278 33.114 48.185 -7.725 1.00 0.00 C ATOM 48928 C6 A B2278 31.729 48.219 -7.960 1.00 0.00 C ATOM 48929 N6 A B2278 30.916 47.177 -7.734 1.00 0.00 N ATOM 48930 N1 A B2278 31.210 49.365 -8.434 1.00 0.00 N ATOM 48931 C2 A B2278 32.022 50.397 -8.653 1.00 0.00 C ATOM 48932 N3 A B2278 33.323 50.483 -8.473 1.00 0.00 N ATOM 48933 C4 A B2278 33.819 49.322 -7.997 1.00 0.00 C ATOM 48934 P G B2279 37.192 51.690 -3.415 1.00 0.00 P ATOM 48935 O1P G B2279 38.158 52.437 -2.579 1.00 0.00 O ATOM 48936 O2P G B2279 36.703 50.416 -2.848 1.00 0.00 O ATOM 48937 O5* G B2279 35.954 52.633 -3.786 1.00 0.00 O ATOM 48938 C5* G B2279 36.206 53.893 -4.435 1.00 0.00 C ATOM 48939 C4* G B2279 34.894 54.557 -4.803 1.00 0.00 C ATOM 48940 O4* G B2279 34.245 53.773 -5.843 1.00 0.00 O ATOM 48941 C3* G B2279 33.850 54.628 -3.691 1.00 0.00 C ATOM 48942 O3* G B2279 34.055 55.732 -2.863 1.00 0.00 O ATOM 48943 C2* G B2279 32.544 54.722 -4.482 1.00 0.00 C ATOM 48944 O2* G B2279 32.366 56.027 -5.005 1.00 0.00 O ATOM 48945 C1* G B2279 32.837 53.804 -5.663 1.00 0.00 C ATOM 48946 N9 G B2279 32.369 52.404 -5.466 1.00 0.00 N ATOM 48947 C8 G B2279 33.102 51.269 -5.199 1.00 0.00 C ATOM 48948 N7 G B2279 32.381 50.181 -5.078 1.00 0.00 N ATOM 48949 C5 G B2279 31.074 50.627 -5.277 1.00 0.00 C ATOM 48950 C6 G B2279 29.851 49.909 -5.269 1.00 0.00 C ATOM 48951 O6 G B2279 29.664 48.710 -5.079 1.00 0.00 O ATOM 48952 N1 G B2279 28.760 50.753 -5.518 1.00 0.00 N ATOM 48953 C2 G B2279 28.840 52.113 -5.747 1.00 0.00 C ATOM 48954 N2 G B2279 27.683 52.740 -5.963 1.00 0.00 N ATOM 48955 N3 G B2279 29.988 52.786 -5.753 1.00 0.00 N ATOM 48956 C4 G B2279 31.056 51.982 -5.515 1.00 0.00 C ATOM 48957 P G B2280 33.694 55.601 -1.275 1.00 0.00 P ATOM 48958 O1P G B2280 34.312 56.711 -0.517 1.00 0.00 O ATOM 48959 O2P G B2280 34.025 54.239 -0.805 1.00 0.00 O ATOM 48960 O5* G B2280 32.104 55.793 -1.314 1.00 0.00 O ATOM 48961 C5* G B2280 31.561 57.021 -1.826 1.00 0.00 C ATOM 48962 C4* G B2280 30.049 56.934 -1.886 1.00 0.00 C ATOM 48963 O4* G B2280 29.674 55.959 -2.900 1.00 0.00 O ATOM 48964 C3* G B2280 29.361 56.430 -0.617 1.00 0.00 C ATOM 48965 O3* G B2280 29.163 57.458 0.296 1.00 0.00 O ATOM 48966 C2* G B2280 28.050 55.869 -1.166 1.00 0.00 C ATOM 48967 O2* G B2280 27.147 56.914 -1.481 1.00 0.00 O ATOM 48968 C1* G B2280 28.506 55.261 -2.490 1.00 0.00 C ATOM 48969 N9 G B2280 28.843 53.815 -2.402 1.00 0.00 N ATOM 48970 C8 G B2280 30.078 53.204 -2.408 1.00 0.00 C ATOM 48971 N7 G B2280 30.030 51.897 -2.312 1.00 0.00 N ATOM 48972 C5 G B2280 28.666 51.623 -2.238 1.00 0.00 C ATOM 48973 C6 G B2280 27.990 50.381 -2.122 1.00 0.00 C ATOM 48974 O6 G B2280 28.464 49.249 -2.061 1.00 0.00 O ATOM 48975 N1 G B2280 26.600 50.557 -2.078 1.00 0.00 N ATOM 48976 C2 G B2280 25.948 51.773 -2.140 1.00 0.00 C ATOM 48977 N2 G B2280 24.616 51.728 -2.081 1.00 0.00 N ATOM 48978 N3 G B2280 26.584 52.937 -2.245 1.00 0.00 N ATOM 48979 C4 G B2280 27.934 52.785 -2.290 1.00 0.00 C ATOM 48980 P A B2281 29.248 57.119 1.894 1.00 0.00 P ATOM 48981 O1P A B2281 29.378 58.366 2.679 1.00 0.00 O ATOM 48982 O2P A B2281 30.297 56.099 2.122 1.00 0.00 O ATOM 48983 O5* A B2281 27.804 56.474 2.141 1.00 0.00 O ATOM 48984 C5* A B2281 26.631 57.268 1.887 1.00 0.00 C ATOM 48985 C4* A B2281 25.385 56.425 2.065 1.00 0.00 C ATOM 48986 O4* A B2281 25.340 55.422 1.008 1.00 0.00 O ATOM 48987 C3* A B2281 25.314 55.603 3.353 1.00 0.00 C ATOM 48988 O3* A B2281 24.827 56.358 4.415 1.00 0.00 O ATOM 48989 C2* A B2281 24.371 54.468 2.957 1.00 0.00 C ATOM 48990 O2* A B2281 23.028 54.916 2.932 1.00 0.00 O ATOM 48991 C1* A B2281 24.782 54.218 1.509 1.00 0.00 C ATOM 48992 N9 A B2281 25.801 53.142 1.354 1.00 0.00 N ATOM 48993 C8 A B2281 27.142 53.249 1.068 1.00 0.00 C ATOM 48994 N7 A B2281 27.761 52.114 0.998 1.00 0.00 N ATOM 48995 C5 A B2281 26.771 51.176 1.255 1.00 0.00 C ATOM 48996 C6 A B2281 26.789 49.773 1.329 1.00 0.00 C ATOM 48997 N6 A B2281 27.894 49.040 1.136 1.00 0.00 N ATOM 48998 N1 A B2281 25.630 49.153 1.605 1.00 0.00 N ATOM 48999 C2 A B2281 24.536 49.890 1.794 1.00 0.00 C ATOM 49000 N3 A B2281 24.396 51.197 1.753 1.00 0.00 N ATOM 49001 C4 A B2281 25.575 51.796 1.475 1.00 0.00 C ATOM 49002 P G B2282 24.124 58.090 4.219 1.00 0.00 P ATOM 49003 O1P G B2282 24.357 58.828 5.474 1.00 0.00 O ATOM 49004 O2P G B2282 22.715 57.995 3.772 1.00 0.00 O ATOM 49005 O5* G B2282 25.134 58.863 2.868 1.00 0.00 O ATOM 49006 C5* G B2282 25.561 59.934 1.948 1.00 0.00 C ATOM 49007 C4* G B2282 24.685 60.098 0.577 1.00 0.00 C ATOM 49008 O4* G B2282 23.241 59.924 0.689 1.00 0.00 O ATOM 49009 C3* G B2282 24.849 61.023 -0.631 1.00 0.00 C ATOM 49010 O3* G B2282 26.122 61.687 -1.172 1.00 0.00 O ATOM 49011 C2* G B2282 23.731 60.545 -1.553 1.00 0.00 C ATOM 49012 O2* G B2282 24.087 59.322 -2.184 1.00 0.00 O ATOM 49013 C1* G B2282 22.625 60.221 -0.552 1.00 0.00 C ATOM 49014 N9 G B2282 21.489 61.490 -0.303 1.00 0.00 N ATOM 49015 C8 G B2282 21.451 62.441 0.696 1.00 0.00 C ATOM 49016 N7 G B2282 20.489 63.324 0.550 1.00 0.00 N ATOM 49017 C5 G B2282 19.851 62.932 -0.623 1.00 0.00 C ATOM 49018 C6 G B2282 18.735 63.501 -1.294 1.00 0.00 C ATOM 49019 O6 G B2282 18.071 64.487 -0.980 1.00 0.00 O ATOM 49020 N1 G B2282 18.414 62.785 -2.455 1.00 0.00 N ATOM 49021 C2 G B2282 19.083 61.668 -2.913 1.00 0.00 C ATOM 49022 N2 G B2282 18.624 61.130 -4.043 1.00 0.00 N ATOM 49023 N3 G B2282 20.127 61.133 -2.287 1.00 0.00 N ATOM 49024 C4 G B2282 20.453 61.815 -1.153 1.00 0.00 C ATOM 49025 P C B2283 26.332 61.879 -3.006 1.00 0.00 P ATOM 49026 O1P C B2283 25.451 60.954 -3.757 1.00 0.00 O ATOM 49027 O2P C B2283 27.777 61.799 -3.333 1.00 0.00 O ATOM 49028 O5* C B2283 25.718 63.607 -3.211 1.00 0.00 O ATOM 49029 C5* C B2283 25.420 64.626 -4.232 1.00 0.00 C ATOM 49030 C4* C B2283 23.822 64.781 -4.583 1.00 0.00 C ATOM 49031 O4* C B2283 23.002 64.332 -3.466 1.00 0.00 O ATOM 49032 C3* C B2283 23.095 66.019 -5.098 1.00 0.00 C ATOM 49033 O3* C B2283 23.511 66.693 -6.446 1.00 0.00 O ATOM 49034 C2* C B2283 21.629 65.641 -4.896 1.00 0.00 C ATOM 49035 O2* C B2283 21.204 64.732 -5.900 1.00 0.00 O ATOM 49036 C1* C B2283 21.691 64.864 -3.587 1.00 0.00 C ATOM 49037 N1 C B2283 21.355 65.791 -2.188 1.00 0.00 N ATOM 49038 C2 C B2283 20.306 66.708 -2.253 1.00 0.00 C ATOM 49039 O2 C B2283 19.705 66.851 -3.326 1.00 0.00 O ATOM 49040 N3 C B2283 19.987 67.410 -1.137 1.00 0.00 N ATOM 49041 C4 C B2283 20.662 67.225 0.004 1.00 0.00 C ATOM 49042 N4 C B2283 20.307 67.936 1.064 1.00 0.00 N ATOM 49043 C5 C B2283 21.739 66.288 0.089 1.00 0.00 C ATOM 49044 C6 C B2283 22.046 65.597 -1.035 1.00 0.00 C ATOM 49045 P A B2284 22.811 66.272 -8.111 1.00 0.00 P ATOM 49046 O1P A B2284 21.793 65.201 -8.051 1.00 0.00 O ATOM 49047 O2P A B2284 23.905 66.064 -9.087 1.00 0.00 O ATOM 49048 O5* A B2284 22.101 67.680 -8.383 1.00 0.00 O ATOM 49049 C5* A B2284 20.664 67.742 -8.429 1.00 0.00 C ATOM 49050 C4* A B2284 20.209 69.179 -8.572 1.00 0.00 C ATOM 49051 O4* A B2284 20.530 69.898 -7.348 1.00 0.00 O ATOM 49052 C3* A B2284 20.900 69.988 -9.667 1.00 0.00 C ATOM 49053 O3* A B2284 20.303 69.786 -10.910 1.00 0.00 O ATOM 49054 C2* A B2284 20.734 71.421 -9.161 1.00 0.00 C ATOM 49055 O2* A B2284 19.410 71.879 -9.379 1.00 0.00 O ATOM 49056 C1* A B2284 20.898 71.234 -7.654 1.00 0.00 C ATOM 49057 N9 A B2284 22.291 71.452 -7.172 1.00 0.00 N ATOM 49058 C8 A B2284 23.221 70.526 -6.764 1.00 0.00 C ATOM 49059 N7 A B2284 24.353 71.040 -6.397 1.00 0.00 N ATOM 49060 C5 A B2284 24.171 72.405 -6.572 1.00 0.00 C ATOM 49061 C6 A B2284 25.014 73.510 -6.358 1.00 0.00 C ATOM 49062 N6 A B2284 26.266 73.403 -5.898 1.00 0.00 N ATOM 49063 N1 A B2284 24.517 74.730 -6.632 1.00 0.00 N ATOM 49064 C2 A B2284 23.270 74.827 -7.089 1.00 0.00 C ATOM 49065 N3 A B2284 22.395 73.876 -7.327 1.00 0.00 N ATOM 49066 C4 A B2284 22.917 72.663 -7.044 1.00 0.00 C ATOM 49067 P C B2285 21.241 69.813 -12.246 1.00 0.00 P ATOM 49068 O1P C B2285 20.514 69.225 -13.393 1.00 0.00 O ATOM 49069 O2P C B2285 22.555 69.209 -11.937 1.00 0.00 O ATOM 49070 O5* C B2285 21.406 71.392 -12.462 1.00 0.00 O ATOM 49071 C5* C B2285 20.233 72.192 -12.689 1.00 0.00 C ATOM 49072 C4* C B2285 20.609 73.661 -12.740 1.00 0.00 C ATOM 49073 O4* C B2285 21.046 74.081 -11.418 1.00 0.00 O ATOM 49074 C3* C B2285 21.788 74.012 -13.650 1.00 0.00 C ATOM 49075 O3* C B2285 21.383 74.177 -14.971 1.00 0.00 O ATOM 49076 C2* C B2285 22.297 75.310 -13.024 1.00 0.00 C ATOM 49077 O2* C B2285 21.451 76.397 -13.362 1.00 0.00 O ATOM 49078 C1* C B2285 22.091 75.036 -11.537 1.00 0.00 C ATOM 49079 N1 C B2285 23.297 74.487 -10.857 1.00 0.00 N ATOM 49080 C2 C B2285 24.350 75.360 -10.600 1.00 0.00 C ATOM 49081 O2 C B2285 24.242 76.542 -10.941 1.00 0.00 O ATOM 49082 N3 C B2285 25.458 74.878 -9.982 1.00 0.00 N ATOM 49083 C4 C B2285 25.537 73.589 -9.626 1.00 0.00 C ATOM 49084 N4 C B2285 26.641 73.170 -9.027 1.00 0.00 N ATOM 49085 C5 C B2285 24.464 72.675 -9.882 1.00 0.00 C ATOM 49086 C6 C B2285 23.367 73.178 -10.502 1.00 0.00 C ATOM 49087 P G B2286 22.496 73.415 -16.253 1.00 0.00 P ATOM 49088 O1P G B2286 21.844 72.228 -16.852 1.00 0.00 O ATOM 49089 O2P G B2286 23.868 73.200 -15.724 1.00 0.00 O ATOM 49090 O5* G B2286 22.500 74.817 -17.448 1.00 0.00 O ATOM 49091 C5* G B2286 22.960 75.325 -18.741 1.00 0.00 C ATOM 49092 C4* G B2286 23.794 76.724 -18.652 1.00 0.00 C ATOM 49093 O4* G B2286 24.585 76.889 -17.441 1.00 0.00 O ATOM 49094 C3* G B2286 24.629 77.412 -19.735 1.00 0.00 C ATOM 49095 O3* G B2286 23.766 77.908 -20.969 1.00 0.00 O ATOM 49096 C2* G B2286 25.234 78.592 -18.966 1.00 0.00 C ATOM 49097 O2* G B2286 24.272 79.613 -18.771 1.00 0.00 O ATOM 49098 C1* G B2286 25.497 77.964 -17.601 1.00 0.00 C ATOM 49099 N9 G B2286 27.102 77.354 -17.384 1.00 0.00 N ATOM 49100 C8 G B2286 27.522 76.054 -17.209 1.00 0.00 C ATOM 49101 N7 G B2286 28.809 75.937 -16.974 1.00 0.00 N ATOM 49102 C5 G B2286 29.270 77.252 -16.997 1.00 0.00 C ATOM 49103 C6 G B2286 30.580 77.767 -16.809 1.00 0.00 C ATOM 49104 O6 G B2286 31.619 77.153 -16.580 1.00 0.00 O ATOM 49105 N1 G B2286 30.603 79.159 -16.919 1.00 0.00 N ATOM 49106 C2 G B2286 29.505 79.959 -17.174 1.00 0.00 C ATOM 49107 N2 G B2286 29.739 81.271 -17.238 1.00 0.00 N ATOM 49108 N3 G B2286 28.277 79.479 -17.352 1.00 0.00 N ATOM 49109 C4 G B2286 28.237 78.123 -17.248 1.00 0.00 C ATOM 49110 P A B2287 24.563 78.803 -22.391 1.00 0.00 P ATOM 49111 O1P A B2287 24.652 77.897 -23.558 1.00 0.00 O ATOM 49112 O2P A B2287 25.843 79.406 -21.945 1.00 0.00 O ATOM 49113 O5* A B2287 23.318 80.140 -22.763 1.00 0.00 O ATOM 49114 C5* A B2287 22.368 81.065 -23.464 1.00 0.00 C ATOM 49115 C4* A B2287 22.844 82.599 -23.884 1.00 0.00 C ATOM 49116 O4* A B2287 24.175 82.631 -24.479 1.00 0.00 O ATOM 49117 C3* A B2287 22.107 83.740 -24.589 1.00 0.00 C ATOM 49118 O3* A B2287 20.732 84.414 -24.170 1.00 0.00 O ATOM 49119 C2* A B2287 23.211 84.778 -24.763 1.00 0.00 C ATOM 49120 O2* A B2287 23.468 85.442 -23.536 1.00 0.00 O ATOM 49121 C1* A B2287 24.420 83.902 -25.058 1.00 0.00 C ATOM 49122 N9 A B2287 24.751 83.684 -26.708 1.00 0.00 N ATOM 49123 C8 A B2287 24.031 82.966 -27.638 1.00 0.00 C ATOM 49124 N7 A B2287 24.625 82.835 -28.783 1.00 0.00 N ATOM 49125 C5 A B2287 25.827 83.507 -28.614 1.00 0.00 C ATOM 49126 C6 A B2287 26.914 83.736 -29.471 1.00 0.00 C ATOM 49127 N6 A B2287 26.965 83.293 -30.736 1.00 0.00 N ATOM 49128 N1 A B2287 27.950 84.445 -28.986 1.00 0.00 N ATOM 49129 C2 A B2287 27.892 84.883 -27.730 1.00 0.00 C ATOM 49130 N3 A B2287 26.936 84.735 -26.840 1.00 0.00 N ATOM 49131 C4 A B2287 25.914 84.028 -27.351 1.00 0.00 C ATOM 49132 P A B2288 19.894 85.048 -22.607 1.00 0.00 P ATOM 49133 O1P A B2288 18.528 84.517 -22.813 1.00 0.00 O ATOM 49134 O2P A B2288 19.982 86.479 -22.238 1.00 0.00 O ATOM 49135 O5* A B2288 20.661 84.160 -21.519 1.00 0.00 O ATOM 49136 C5* A B2288 20.098 82.893 -21.131 1.00 0.00 C ATOM 49137 C4* A B2288 21.043 82.172 -20.192 1.00 0.00 C ATOM 49138 O4* A B2288 22.241 81.790 -20.929 1.00 0.00 O ATOM 49139 C3* A B2288 21.581 83.000 -19.021 1.00 0.00 C ATOM 49140 O3* A B2288 20.691 83.010 -17.950 1.00 0.00 O ATOM 49141 C2* A B2288 22.888 82.280 -18.696 1.00 0.00 C ATOM 49142 O2* A B2288 22.636 81.077 -17.990 1.00 0.00 O ATOM 49143 C1* A B2288 23.377 81.885 -20.086 1.00 0.00 C ATOM 49144 N9 A B2288 24.318 82.868 -20.692 1.00 0.00 N ATOM 49145 C8 A B2288 24.093 83.773 -21.703 1.00 0.00 C ATOM 49146 N7 A B2288 25.128 84.496 -22.005 1.00 0.00 N ATOM 49147 C5 A B2288 26.114 84.046 -21.138 1.00 0.00 C ATOM 49148 C6 A B2288 27.454 84.417 -20.956 1.00 0.00 C ATOM 49149 N6 A B2288 28.061 85.374 -21.673 1.00 0.00 N ATOM 49150 N1 A B2288 28.154 83.767 -20.004 1.00 0.00 N ATOM 49151 C2 A B2288 27.544 82.821 -19.298 1.00 0.00 C ATOM 49152 N3 A B2288 26.304 82.390 -19.377 1.00 0.00 N ATOM 49153 C4 A B2288 25.626 83.056 -20.334 1.00 0.00 C ATOM 49154 P G B2289 20.591 84.351 -17.027 1.00 0.00 P ATOM 49155 O1P G B2289 19.366 84.310 -16.199 1.00 0.00 O ATOM 49156 O2P G B2289 20.753 85.550 -17.879 1.00 0.00 O ATOM 49157 O5* G B2289 21.880 84.171 -16.095 1.00 0.00 O ATOM 49158 C5* G B2289 21.971 83.013 -15.246 1.00 0.00 C ATOM 49159 C4* G B2289 23.318 82.981 -14.552 1.00 0.00 C ATOM 49160 O4* G B2289 24.355 82.741 -15.548 1.00 0.00 O ATOM 49161 C3* G B2289 23.752 84.285 -13.878 1.00 0.00 C ATOM 49162 O3* G B2289 23.212 84.402 -12.600 1.00 0.00 O ATOM 49163 C2* G B2289 25.272 84.151 -13.870 1.00 0.00 C ATOM 49164 O2* G B2289 25.690 83.253 -12.855 1.00 0.00 O ATOM 49165 C1* G B2289 25.529 83.460 -15.204 1.00 0.00 C ATOM 49166 N9 G B2289 25.835 84.405 -16.315 1.00 0.00 N ATOM 49167 C8 G B2289 25.037 84.790 -17.372 1.00 0.00 C ATOM 49168 N7 G B2289 25.610 85.645 -18.186 1.00 0.00 N ATOM 49169 C5 G B2289 26.874 85.840 -17.629 1.00 0.00 C ATOM 49170 C6 G B2289 27.948 86.657 -18.064 1.00 0.00 C ATOM 49171 O6 G B2289 28.008 87.392 -19.047 1.00 0.00 O ATOM 49172 N1 G B2289 29.048 86.557 -17.203 1.00 0.00 N ATOM 49173 C2 G B2289 29.105 85.766 -16.071 1.00 0.00 C ATOM 49174 N2 G B2289 30.249 85.808 -15.381 1.00 0.00 N ATOM 49175 N3 G B2289 28.096 85.000 -15.663 1.00 0.00 N ATOM 49176 C4 G B2289 27.019 85.085 -16.488 1.00 0.00 C ATOM 49177 P G B2290 22.817 85.888 -12.046 1.00 0.00 P ATOM 49178 O1P G B2290 21.943 85.776 -10.859 1.00 0.00 O ATOM 49179 O2P G B2290 22.287 86.704 -13.163 1.00 0.00 O ATOM 49180 O5* G B2290 24.256 86.438 -11.609 1.00 0.00 O ATOM 49181 C5* G B2290 24.994 85.734 -10.594 1.00 0.00 C ATOM 49182 C4* G B2290 26.369 86.350 -10.432 1.00 0.00 C ATOM 49183 O4* G B2290 27.145 86.100 -11.638 1.00 0.00 O ATOM 49184 C3* G B2290 26.404 87.872 -10.284 1.00 0.00 C ATOM 49185 O3* G B2290 26.185 88.260 -8.963 1.00 0.00 O ATOM 49186 C2* G B2290 27.808 88.210 -10.772 1.00 0.00 C ATOM 49187 O2* G B2290 28.774 87.892 -9.786 1.00 0.00 O ATOM 49188 C1* G B2290 27.988 87.208 -11.910 1.00 0.00 C ATOM 49189 N9 G B2290 27.623 87.748 -13.247 1.00 0.00 N ATOM 49190 C8 G B2290 26.511 87.485 -14.018 1.00 0.00 C ATOM 49191 N7 G B2290 26.488 88.131 -15.159 1.00 0.00 N ATOM 49192 C5 G B2290 27.671 88.874 -15.142 1.00 0.00 C ATOM 49193 C6 G B2290 28.197 89.772 -16.105 1.00 0.00 C ATOM 49194 O6 G B2290 27.730 90.099 -17.194 1.00 0.00 O ATOM 49195 N1 G B2290 29.421 90.311 -15.687 1.00 0.00 N ATOM 49196 C2 G B2290 30.052 90.022 -14.491 1.00 0.00 C ATOM 49197 N2 G B2290 31.214 90.640 -14.277 1.00 0.00 N ATOM 49198 N3 G B2290 29.552 89.182 -13.587 1.00 0.00 N ATOM 49199 C4 G B2290 28.366 88.647 -13.980 1.00 0.00 C ATOM 49200 P U B2291 25.383 89.655 -8.678 1.00 0.00 P ATOM 49201 O1P U B2291 24.935 89.709 -7.270 1.00 0.00 O ATOM 49202 O2P U B2291 24.326 89.831 -9.698 1.00 0.00 O ATOM 49203 O5* U B2291 26.548 90.726 -8.918 1.00 0.00 O ATOM 49204 C5* U B2291 27.723 90.673 -8.087 1.00 0.00 C ATOM 49205 C4* U B2291 28.741 91.691 -8.566 1.00 0.00 C ATOM 49206 O4* U B2291 29.241 91.278 -9.870 1.00 0.00 O ATOM 49207 C3* U B2291 28.209 93.104 -8.806 1.00 0.00 C ATOM 49208 O3* U B2291 28.178 93.844 -7.627 1.00 0.00 O ATOM 49209 C2* U B2291 29.208 93.654 -9.823 1.00 0.00 C ATOM 49210 O2* U B2291 30.429 94.004 -9.189 1.00 0.00 O ATOM 49211 C1* U B2291 29.489 92.421 -10.673 1.00 0.00 C ATOM 49212 N1 U B2291 28.632 92.324 -11.890 1.00 0.00 N ATOM 49213 C2 U B2291 28.920 93.176 -12.928 1.00 0.00 C ATOM 49214 O2 U B2291 29.832 93.987 -12.888 1.00 0.00 O ATOM 49215 N3 U B2291 28.105 93.057 -14.035 1.00 0.00 N ATOM 49216 C4 U B2291 27.051 92.181 -14.188 1.00 0.00 C ATOM 49217 O4 U B2291 26.391 92.168 -15.230 1.00 0.00 O ATOM 49218 C5 U B2291 26.824 91.328 -13.046 1.00 0.00 C ATOM 49219 C6 U B2291 27.603 91.421 -11.954 1.00 0.00 C ATOM 49220 P U B2292 26.987 94.942 -7.421 1.00 0.00 P ATOM 49221 O1P U B2292 26.905 95.348 -6.002 1.00 0.00 O ATOM 49222 O2P U B2292 25.735 94.426 -8.019 1.00 0.00 O ATOM 49223 O5* U B2292 27.544 96.160 -8.301 1.00 0.00 O ATOM 49224 C5* U B2292 28.807 96.755 -7.946 1.00 0.00 C ATOM 49225 C4* U B2292 29.197 97.794 -8.979 1.00 0.00 C ATOM 49226 O4* U B2292 29.492 97.121 -10.237 1.00 0.00 O ATOM 49227 C3* U B2292 28.113 98.808 -9.348 1.00 0.00 C ATOM 49228 O3* U B2292 28.077 99.869 -8.444 1.00 0.00 O ATOM 49229 C2* U B2292 28.540 99.238 -10.748 1.00 0.00 C ATOM 49230 O2* U B2292 29.638 100.135 -10.684 1.00 0.00 O ATOM 49231 C1* U B2292 29.072 97.931 -11.324 1.00 0.00 C ATOM 49232 N1 U B2292 28.058 97.164 -12.102 1.00 0.00 N ATOM 49233 C2 U B2292 27.731 97.645 -13.347 1.00 0.00 C ATOM 49234 O2 U B2292 28.230 98.651 -13.821 1.00 0.00 O ATOM 49235 N3 U B2292 26.789 96.910 -14.039 1.00 0.00 N ATOM 49236 C4 U B2292 26.160 95.763 -13.597 1.00 0.00 C ATOM 49237 O4 U B2292 25.330 95.190 -14.310 1.00 0.00 O ATOM 49238 C5 U B2292 26.567 95.337 -12.283 1.00 0.00 C ATOM 49239 C6 U B2292 27.484 96.033 -11.588 1.00 0.00 C ATOM 49240 P G B2293 26.636 100.558 -8.104 1.00 0.00 P ATOM 49241 O1P G B2293 26.744 101.391 -6.885 1.00 0.00 O ATOM 49242 O2P G B2293 25.584 99.518 -8.084 1.00 0.00 O ATOM 49243 O5* G B2293 26.444 101.497 -9.384 1.00 0.00 O ATOM 49244 C5* G B2293 27.417 102.527 -9.647 1.00 0.00 C ATOM 49245 C4* G B2293 27.106 103.206 -10.965 1.00 0.00 C ATOM 49246 O4* G B2293 27.332 102.258 -12.049 1.00 0.00 O ATOM 49247 C3* G B2293 25.660 103.654 -11.163 1.00 0.00 C ATOM 49248 O3* G B2293 25.426 104.900 -10.586 1.00 0.00 O ATOM 49249 C2* G B2293 25.536 103.679 -12.684 1.00 0.00 C ATOM 49250 O2* G B2293 26.173 104.822 -13.222 1.00 0.00 O ATOM 49251 C1* G B2293 26.383 102.470 -13.082 1.00 0.00 C ATOM 49252 N9 G B2293 25.595 101.216 -13.249 1.00 0.00 N ATOM 49253 C8 G B2293 25.526 100.117 -12.423 1.00 0.00 C ATOM 49254 N7 G B2293 24.730 99.170 -12.863 1.00 0.00 N ATOM 49255 C5 G B2293 24.243 99.680 -14.065 1.00 0.00 C ATOM 49256 C6 G B2293 23.340 99.109 -14.999 1.00 0.00 C ATOM 49257 O6 G B2293 22.776 98.021 -14.958 1.00 0.00 O ATOM 49258 N1 G B2293 23.115 99.970 -16.083 1.00 0.00 N ATOM 49259 C2 G B2293 23.686 101.218 -16.245 1.00 0.00 C ATOM 49260 N2 G B2293 23.343 101.882 -17.347 1.00 0.00 N ATOM 49261 N3 G B2293 24.532 101.750 -15.366 1.00 0.00 N ATOM 49262 C4 G B2293 24.765 100.928 -14.309 1.00 0.00 C ATOM 49263 P G B2294 23.959 105.202 -9.938 1.00 0.00 P ATOM 49264 O1P G B2294 24.019 106.399 -9.069 1.00 0.00 O ATOM 49265 O2P G B2294 23.438 103.971 -9.305 1.00 0.00 O ATOM 49266 O5* G B2294 23.113 105.534 -11.257 1.00 0.00 O ATOM 49267 C5* G B2294 23.510 106.646 -12.080 1.00 0.00 C ATOM 49268 C4* G B2294 22.654 106.697 -13.328 1.00 0.00 C ATOM 49269 O4* G B2294 22.966 105.546 -14.162 1.00 0.00 O ATOM 49270 C3* G B2294 21.142 106.594 -13.107 1.00 0.00 C ATOM 49271 O3* G B2294 20.585 107.833 -12.799 1.00 0.00 O ATOM 49272 C2* G B2294 20.662 106.046 -14.447 1.00 0.00 C ATOM 49273 O2* G B2294 20.648 107.068 -15.433 1.00 0.00 O ATOM 49274 C1* G B2294 21.792 105.090 -14.814 1.00 0.00 C ATOM 49275 N9 G B2294 21.546 103.684 -14.395 1.00 0.00 N ATOM 49276 C8 G B2294 22.111 102.974 -13.358 1.00 0.00 C ATOM 49277 N7 G B2294 21.672 101.741 -13.255 1.00 0.00 N ATOM 49278 C5 G B2294 20.751 101.628 -14.294 1.00 0.00 C ATOM 49279 C6 G B2294 19.948 100.526 -14.689 1.00 0.00 C ATOM 49280 O6 G B2294 19.887 99.403 -14.196 1.00 0.00 O ATOM 49281 N1 G B2294 19.153 100.844 -15.798 1.00 0.00 N ATOM 49282 C2 G B2294 19.134 102.067 -16.442 1.00 0.00 C ATOM 49283 N2 G B2294 18.304 102.170 -17.479 1.00 0.00 N ATOM 49284 N3 G B2294 19.886 103.101 -16.068 1.00 0.00 N ATOM 49285 C4 G B2294 20.667 102.810 -14.994 1.00 0.00 C ATOM 49286 P C B2295 19.318 107.888 -11.773 1.00 0.00 P ATOM 49287 O1P C B2295 19.108 109.273 -11.291 1.00 0.00 O ATOM 49288 O2P C B2295 19.486 106.860 -10.722 1.00 0.00 O ATOM 49289 O5* C B2295 18.120 107.470 -12.748 1.00 0.00 O ATOM 49290 C5* C B2295 17.839 108.288 -13.899 1.00 0.00 C ATOM 49291 C4* C B2295 16.761 107.645 -14.744 1.00 0.00 C ATOM 49292 O4* C B2295 17.293 106.422 -15.333 1.00 0.00 O ATOM 49293 C3* C B2295 15.515 107.179 -13.990 1.00 0.00 C ATOM 49294 O3* C B2295 14.605 108.218 -13.812 1.00 0.00 O ATOM 49295 C2* C B2295 14.980 106.080 -14.908 1.00 0.00 C ATOM 49296 O2* C B2295 14.333 106.640 -16.038 1.00 0.00 O ATOM 49297 C1* C B2295 16.272 105.440 -15.406 1.00 0.00 C ATOM 49298 N1 C B2295 16.707 104.264 -14.604 1.00 0.00 N ATOM 49299 C2 C B2295 16.000 103.074 -14.762 1.00 0.00 C ATOM 49300 O2 C B2295 15.051 103.044 -15.552 1.00 0.00 O ATOM 49301 N3 C B2295 16.380 101.990 -14.038 1.00 0.00 N ATOM 49302 C4 C B2295 17.412 102.064 -13.190 1.00 0.00 C ATOM 49303 N4 C B2295 17.743 100.977 -12.508 1.00 0.00 N ATOM 49304 C5 C B2295 18.153 103.276 -13.014 1.00 0.00 C ATOM 49305 C6 C B2295 17.757 104.349 -13.745 1.00 0.00 C ATOM 49306 P U B2296 13.702 108.249 -12.454 1.00 0.00 P ATOM 49307 O1P U B2296 13.091 109.584 -12.274 1.00 0.00 O ATOM 49308 O2P U B2296 14.509 107.754 -11.315 1.00 0.00 O ATOM 49309 O5* U B2296 12.572 107.177 -12.819 1.00 0.00 O ATOM 49310 C5* U B2296 11.725 107.420 -13.959 1.00 0.00 C ATOM 49311 C4* U B2296 10.818 106.230 -14.194 1.00 0.00 C ATOM 49312 O4* U B2296 11.629 105.098 -14.623 1.00 0.00 O ATOM 49313 C3* U B2296 10.074 105.707 -12.966 1.00 0.00 C ATOM 49314 O3* U B2296 8.901 106.422 -12.734 1.00 0.00 O ATOM 49315 C2* U B2296 9.810 104.250 -13.348 1.00 0.00 C ATOM 49316 O2* U B2296 8.746 104.160 -14.279 1.00 0.00 O ATOM 49317 C1* U B2296 11.090 103.895 -14.098 1.00 0.00 C ATOM 49318 N1 U B2296 12.129 103.260 -13.243 1.00 0.00 N ATOM 49319 C2 U B2296 11.918 101.954 -12.867 1.00 0.00 C ATOM 49320 O2 U B2296 10.935 101.316 -13.206 1.00 0.00 O ATOM 49321 N3 U B2296 12.903 101.398 -12.074 1.00 0.00 N ATOM 49322 C4 U B2296 14.054 102.025 -11.635 1.00 0.00 C ATOM 49323 O4 U B2296 14.864 101.423 -10.928 1.00 0.00 O ATOM 49324 C5 U B2296 14.185 103.393 -12.080 1.00 0.00 C ATOM 49325 C6 U B2296 13.242 103.958 -12.851 1.00 0.00 C ATOM 49326 P A B2297 6.986 105.345 -12.531 1.00 0.00 P ATOM 49327 O1P A B2297 6.757 106.475 -13.459 1.00 0.00 O ATOM 49328 O2P A B2297 6.689 105.612 -11.106 1.00 0.00 O ATOM 49329 O5* A B2297 6.161 104.065 -13.026 1.00 0.00 O ATOM 49330 C5* A B2297 6.368 103.577 -14.364 1.00 0.00 C ATOM 49331 C4* A B2297 5.587 102.293 -14.573 1.00 0.00 C ATOM 49332 O4* A B2297 6.168 101.248 -13.744 1.00 0.00 O ATOM 49333 C3* A B2297 4.120 102.332 -14.144 1.00 0.00 C ATOM 49334 O3* A B2297 3.309 102.867 -15.143 1.00 0.00 O ATOM 49335 C2* A B2297 3.827 100.856 -13.877 1.00 0.00 C ATOM 49336 O2* A B2297 3.662 100.147 -15.094 1.00 0.00 O ATOM 49337 C1* A B2297 5.145 100.388 -13.266 1.00 0.00 C ATOM 49338 N9 A B2297 5.166 100.434 -11.778 1.00 0.00 N ATOM 49339 C8 A B2297 5.810 101.323 -10.947 1.00 0.00 C ATOM 49340 N7 A B2297 5.625 101.090 -9.684 1.00 0.00 N ATOM 49341 C5 A B2297 4.807 99.971 -9.664 1.00 0.00 C ATOM 49342 C6 A B2297 4.247 99.225 -8.614 1.00 0.00 C ATOM 49343 N6 A B2297 4.443 99.509 -7.319 1.00 0.00 N ATOM 49344 N1 A B2297 3.477 98.173 -8.946 1.00 0.00 N ATOM 49345 C2 A B2297 3.287 97.896 -10.234 1.00 0.00 C ATOM 49346 N3 A B2297 3.754 98.516 -11.295 1.00 0.00 N ATOM 49347 C4 A B2297 4.522 99.567 -10.936 1.00 0.00 C ATOM 49348 P A B2298 2.246 102.319 -16.629 1.00 0.00 P ATOM 49349 O1P A B2298 1.815 100.905 -16.729 1.00 0.00 O ATOM 49350 O2P A B2298 3.269 102.744 -17.608 1.00 0.00 O ATOM 49351 O5* A B2298 0.777 103.426 -17.071 1.00 0.00 O ATOM 49352 C5* A B2298 0.313 103.543 -18.509 1.00 0.00 C ATOM 49353 C4* A B2298 -0.226 102.236 -19.409 1.00 0.00 C ATOM 49354 O4* A B2298 0.504 100.979 -19.311 1.00 0.00 O ATOM 49355 C3* A B2298 -1.694 101.814 -19.343 1.00 0.00 C ATOM 49356 O3* A B2298 -2.848 102.805 -19.519 1.00 0.00 O ATOM 49357 C2* A B2298 -1.681 100.487 -20.102 1.00 0.00 C ATOM 49358 O2* A B2298 -1.601 100.709 -21.501 1.00 0.00 O ATOM 49359 C1* A B2298 -0.345 99.898 -19.670 1.00 0.00 C ATOM 49360 N9 A B2298 -0.435 98.829 -18.353 1.00 0.00 N ATOM 49361 C8 A B2298 -0.144 99.076 -17.027 1.00 0.00 C ATOM 49362 N7 A B2298 -0.468 98.110 -16.226 1.00 0.00 N ATOM 49363 C5 A B2298 -1.020 97.149 -17.066 1.00 0.00 C ATOM 49364 C6 A B2298 -1.560 95.877 -16.822 1.00 0.00 C ATOM 49365 N6 A B2298 -1.641 95.327 -15.600 1.00 0.00 N ATOM 49366 N1 A B2298 -2.014 95.188 -17.881 1.00 0.00 N ATOM 49367 C2 A B2298 -1.938 95.737 -19.091 1.00 0.00 C ATOM 49368 N3 A B2298 -1.453 96.910 -19.440 1.00 0.00 N ATOM 49369 C4 A B2298 -1.002 97.582 -18.362 1.00 0.00 C ATOM 49370 P U B2299 -3.907 102.585 -18.039 1.00 0.00 P ATOM 49371 O1P U B2299 -4.385 103.795 -17.335 1.00 0.00 O ATOM 49372 O2P U B2299 -3.159 101.612 -17.213 1.00 0.00 O ATOM 49373 O5* U B2299 -5.136 101.855 -18.757 1.00 0.00 O ATOM 49374 C5* U B2299 -5.454 102.197 -20.117 1.00 0.00 C ATOM 49375 C4* U B2299 -6.567 101.301 -20.631 1.00 0.00 C ATOM 49376 O4* U B2299 -6.060 99.942 -20.744 1.00 0.00 O ATOM 49377 C3* U B2299 -7.788 101.167 -19.721 1.00 0.00 C ATOM 49378 O3* U B2299 -8.684 102.214 -19.912 1.00 0.00 O ATOM 49379 C2* U B2299 -8.356 99.817 -20.151 1.00 0.00 C ATOM 49380 O2* U B2299 -9.042 99.930 -21.387 1.00 0.00 O ATOM 49381 C1* U B2299 -7.085 99.018 -20.418 1.00 0.00 C ATOM 49382 N1 U B2299 -6.628 98.211 -19.252 1.00 0.00 N ATOM 49383 C2 U B2299 -7.343 97.078 -18.955 1.00 0.00 C ATOM 49384 O2 U B2299 -8.315 96.720 -19.596 1.00 0.00 O ATOM 49385 N3 U B2299 -6.890 96.358 -17.868 1.00 0.00 N ATOM 49386 C4 U B2299 -5.805 96.670 -17.072 1.00 0.00 C ATOM 49387 O4 U B2299 -5.494 95.948 -16.124 1.00 0.00 O ATOM 49388 C5 U B2299 -5.117 97.879 -17.464 1.00 0.00 C ATOM 49389 C6 U B2299 -5.538 98.600 -18.516 1.00 0.00 C ATOM 49390 P C B2300 -9.539 102.757 -18.629 1.00 0.00 P ATOM 49391 O1P C B2300 -10.142 104.073 -18.939 1.00 0.00 O ATOM 49392 O2P C B2300 -8.696 102.702 -17.418 1.00 0.00 O ATOM 49393 O5* C B2300 -10.689 101.646 -18.543 1.00 0.00 O ATOM 49394 C5* C B2300 -11.572 101.465 -19.662 1.00 0.00 C ATOM 49395 C4* C B2300 -12.492 100.285 -19.415 1.00 0.00 C ATOM 49396 O4* C B2300 -11.699 99.062 -19.421 1.00 0.00 O ATOM 49397 C3* C B2300 -13.193 100.262 -18.058 1.00 0.00 C ATOM 49398 O3* C B2300 -14.355 101.031 -18.070 1.00 0.00 O ATOM 49399 C2* C B2300 -13.474 98.773 -17.866 1.00 0.00 C ATOM 49400 O2* C B2300 -14.570 98.363 -18.666 1.00 0.00 O ATOM 49401 C1* C B2300 -12.224 98.146 -18.474 1.00 0.00 C ATOM 49402 N1 C B2300 -11.156 97.854 -17.477 1.00 0.00 N ATOM 49403 C2 C B2300 -11.346 96.771 -16.623 1.00 0.00 C ATOM 49404 O2 C B2300 -12.380 96.103 -16.724 1.00 0.00 O ATOM 49405 N3 C B2300 -10.384 96.490 -15.704 1.00 0.00 N ATOM 49406 C4 C B2300 -9.278 97.237 -15.624 1.00 0.00 C ATOM 49407 N4 C B2300 -8.370 96.921 -14.710 1.00 0.00 N ATOM 49408 C5 C B2300 -9.062 98.356 -16.493 1.00 0.00 C ATOM 49409 C6 C B2300 -10.037 98.622 -17.401 1.00 0.00 C ATOM 49410 P C B2301 -14.788 101.821 -16.710 1.00 0.00 P ATOM 49411 O1P C B2301 -15.808 102.849 -17.017 1.00 0.00 O ATOM 49412 O2P C B2301 -13.578 102.306 -16.013 1.00 0.00 O ATOM 49413 O5* C B2301 -15.456 100.631 -15.872 1.00 0.00 O ATOM 49414 C5* C B2301 -16.603 99.953 -16.415 1.00 0.00 C ATOM 49415 C4* C B2301 -16.986 98.792 -15.522 1.00 0.00 C ATOM 49416 O4* C B2301 -15.944 97.778 -15.592 1.00 0.00 O ATOM 49417 C3* C B2301 -17.099 99.106 -14.030 1.00 0.00 C ATOM 49418 O3* C B2301 -18.348 99.631 -13.709 1.00 0.00 O ATOM 49419 C2* C B2301 -16.856 97.738 -13.396 1.00 0.00 C ATOM 49420 O2* C B2301 -18.003 96.915 -13.512 1.00 0.00 O ATOM 49421 C1* C B2301 -15.796 97.152 -14.325 1.00 0.00 C ATOM 49422 N1 C B2301 -14.400 97.381 -13.861 1.00 0.00 N ATOM 49423 C2 C B2301 -13.942 96.625 -12.785 1.00 0.00 C ATOM 49424 O2 C B2301 -14.704 95.804 -12.264 1.00 0.00 O ATOM 49425 N3 C B2301 -12.671 96.818 -12.344 1.00 0.00 N ATOM 49426 C4 C B2301 -11.874 97.719 -12.934 1.00 0.00 C ATOM 49427 N4 C B2301 -10.646 97.869 -12.470 1.00 0.00 N ATOM 49428 C5 C B2301 -12.325 98.506 -14.043 1.00 0.00 C ATOM 49429 C6 C B2301 -13.599 98.299 -14.467 1.00 0.00 C ATOM 49430 P U B2302 -18.450 100.746 -12.520 1.00 0.00 P ATOM 49431 O1P U B2302 -19.758 101.438 -12.576 1.00 0.00 O ATOM 49432 O2P U B2302 -17.256 101.618 -12.561 1.00 0.00 O ATOM 49433 O5* U B2302 -18.389 99.807 -11.224 1.00 0.00 O ATOM 49434 C5* U B2302 -19.414 98.815 -11.033 1.00 0.00 C ATOM 49435 C4* U B2302 -19.093 97.965 -9.820 1.00 0.00 C ATOM 49436 O4* U B2302 -17.909 97.166 -10.105 1.00 0.00 O ATOM 49437 C3* U B2302 -18.724 98.731 -8.550 1.00 0.00 C ATOM 49438 O3* U B2302 -19.858 99.126 -7.844 1.00 0.00 O ATOM 49439 C2* U B2302 -17.886 97.706 -7.788 1.00 0.00 C ATOM 49440 O2* U B2302 -18.713 96.721 -7.195 1.00 0.00 O ATOM 49441 C1* U B2302 -17.130 97.024 -8.927 1.00 0.00 C ATOM 49442 N1 U B2302 -15.786 97.613 -9.188 1.00 0.00 N ATOM 49443 C2 U B2302 -14.792 97.333 -8.284 1.00 0.00 C ATOM 49444 O2 U B2302 -14.971 96.633 -7.300 1.00 0.00 O ATOM 49445 N3 U B2302 -13.561 97.893 -8.560 1.00 0.00 N ATOM 49446 C4 U B2302 -13.251 98.696 -9.640 1.00 0.00 C ATOM 49447 O4 U B2302 -12.111 99.142 -9.783 1.00 0.00 O ATOM 49448 C5 U B2302 -14.359 98.937 -10.532 1.00 0.00 C ATOM 49449 C6 U B2302 -15.568 98.402 -10.289 1.00 0.00 C ATOM 49450 P G B2303 -19.825 100.539 -7.026 1.00 0.00 P ATOM 49451 O1P G B2303 -21.197 100.954 -6.660 1.00 0.00 O ATOM 49452 O2P G B2303 -19.031 101.528 -7.788 1.00 0.00 O ATOM 49453 O5* G B2303 -19.021 100.102 -5.709 1.00 0.00 O ATOM 49454 C5* G B2303 -19.576 99.076 -4.864 1.00 0.00 C ATOM 49455 C4* G B2303 -18.600 98.737 -3.755 1.00 0.00 C ATOM 49456 O4* G B2303 -17.432 98.090 -4.337 1.00 0.00 O ATOM 49457 C3* G B2303 -18.020 99.927 -2.991 1.00 0.00 C ATOM 49458 O3* G B2303 -18.872 100.346 -1.972 1.00 0.00 O ATOM 49459 C2* G B2303 -16.705 99.359 -2.464 1.00 0.00 C ATOM 49460 O2* G B2303 -16.934 98.502 -1.356 1.00 0.00 O ATOM 49461 C1* G B2303 -16.266 98.472 -3.623 1.00 0.00 C ATOM 49462 N9 G B2303 -15.343 99.147 -4.579 1.00 0.00 N ATOM 49463 C8 G B2303 -15.597 99.621 -5.847 1.00 0.00 C ATOM 49464 N7 G B2303 -14.558 100.170 -6.429 1.00 0.00 N ATOM 49465 C5 G B2303 -13.544 100.053 -5.478 1.00 0.00 C ATOM 49466 C6 G B2303 -12.190 100.463 -5.534 1.00 0.00 C ATOM 49467 O6 G B2303 -11.591 101.029 -6.447 1.00 0.00 O ATOM 49468 N1 G B2303 -11.510 100.149 -4.349 1.00 0.00 N ATOM 49469 C2 G B2303 -12.069 99.517 -3.253 1.00 0.00 C ATOM 49470 N2 G B2303 -11.252 99.305 -2.219 1.00 0.00 N ATOM 49471 N3 G B2303 -13.342 99.132 -3.205 1.00 0.00 N ATOM 49472 C4 G B2303 -14.012 99.429 -4.347 1.00 0.00 C ATOM 49473 P G B2304 -18.935 101.936 -1.605 1.00 0.00 P ATOM 49474 O1P G B2304 -20.130 102.225 -0.782 1.00 0.00 O ATOM 49475 O2P G B2304 -18.798 102.732 -2.843 1.00 0.00 O ATOM 49476 O5* G B2304 -17.616 102.090 -0.713 1.00 0.00 O ATOM 49477 C5* G B2304 -17.499 101.326 0.500 1.00 0.00 C ATOM 49478 C4* G B2304 -16.129 101.531 1.113 1.00 0.00 C ATOM 49479 O4* G B2304 -15.128 100.927 0.244 1.00 0.00 O ATOM 49480 C3* G B2304 -15.669 102.984 1.244 1.00 0.00 C ATOM 49481 O3* G B2304 -16.161 103.572 2.407 1.00 0.00 O ATOM 49482 C2* G B2304 -14.148 102.838 1.259 1.00 0.00 C ATOM 49483 O2* G B2304 -13.698 102.370 2.519 1.00 0.00 O ATOM 49484 C1* G B2304 -13.939 101.700 0.263 1.00 0.00 C ATOM 49485 N9 G B2304 -13.670 102.163 -1.126 1.00 0.00 N ATOM 49486 C8 G B2304 -14.502 102.145 -2.227 1.00 0.00 C ATOM 49487 N7 G B2304 -13.957 102.631 -3.315 1.00 0.00 N ATOM 49488 C5 G B2304 -12.674 102.997 -2.908 1.00 0.00 C ATOM 49489 C6 G B2304 -11.612 103.579 -3.648 1.00 0.00 C ATOM 49490 O6 G B2304 -11.582 103.899 -4.832 1.00 0.00 O ATOM 49491 N1 G B2304 -10.481 103.784 -2.844 1.00 0.00 N ATOM 49492 C2 G B2304 -10.391 103.468 -1.501 1.00 0.00 C ATOM 49493 N2 G B2304 -9.223 103.743 -0.913 1.00 0.00 N ATOM 49494 N3 G B2304 -11.386 102.922 -0.809 1.00 0.00 N ATOM 49495 C4 G B2304 -12.491 102.715 -1.575 1.00 0.00 C ATOM 49496 P U B2305 -17.731 104.480 2.384 1.00 0.00 P ATOM 49497 O1P U B2305 -17.708 105.624 3.326 1.00 0.00 O ATOM 49498 O2P U B2305 -18.891 103.571 2.511 1.00 0.00 O ATOM 49499 O5* U B2305 -17.407 104.998 0.672 1.00 0.00 O ATOM 49500 C5* U B2305 -17.011 106.252 0.098 1.00 0.00 C ATOM 49501 C4* U B2305 -17.309 106.507 -1.470 1.00 0.00 C ATOM 49502 O4* U B2305 -16.226 106.570 -2.444 1.00 0.00 O ATOM 49503 C3* U B2305 -18.565 106.336 -2.325 1.00 0.00 C ATOM 49504 O3* U B2305 -19.965 106.733 -1.800 1.00 0.00 O ATOM 49505 C2* U B2305 -18.236 107.193 -3.548 1.00 0.00 C ATOM 49506 O2* U B2305 -18.384 108.570 -3.248 1.00 0.00 O ATOM 49507 C1* U B2305 -16.743 106.933 -3.716 1.00 0.00 C ATOM 49508 N1 U B2305 -16.358 105.696 -4.826 1.00 0.00 N ATOM 49509 C2 U B2305 -16.038 106.083 -6.103 1.00 0.00 C ATOM 49510 O2 U B2305 -16.001 107.251 -6.451 1.00 0.00 O ATOM 49511 N3 U B2305 -15.768 105.053 -6.981 1.00 0.00 N ATOM 49512 C4 U B2305 -15.788 103.707 -6.699 1.00 0.00 C ATOM 49513 O4 U B2305 -15.521 102.872 -7.567 1.00 0.00 O ATOM 49514 C5 U B2305 -16.130 103.398 -5.331 1.00 0.00 C ATOM 49515 C6 U B2305 -16.404 104.379 -4.453 1.00 0.00 C ATOM 49516 P C B2306 -20.739 105.898 -0.369 1.00 0.00 P ATOM 49517 O1P C B2306 -21.661 106.814 0.339 1.00 0.00 O ATOM 49518 O2P C B2306 -19.741 105.206 0.476 1.00 0.00 O ATOM 49519 O5* C B2306 -21.613 104.654 -1.371 1.00 0.00 O ATOM 49520 C5* C B2306 -22.640 103.648 -1.377 1.00 0.00 C ATOM 49521 C4* C B2306 -23.616 103.897 -2.653 1.00 0.00 C ATOM 49522 O4* C B2306 -24.754 104.778 -2.432 1.00 0.00 O ATOM 49523 C3* C B2306 -22.979 104.432 -3.936 1.00 0.00 C ATOM 49524 O3* C B2306 -21.900 103.562 -4.569 1.00 0.00 O ATOM 49525 C2* C B2306 -24.198 104.873 -4.739 1.00 0.00 C ATOM 49526 O2* C B2306 -24.865 103.753 -5.303 1.00 0.00 O ATOM 49527 C1* C B2306 -25.110 105.422 -3.644 1.00 0.00 C ATOM 49528 N1 C B2306 -25.002 107.109 -3.408 1.00 0.00 N ATOM 49529 C2 C B2306 -25.224 107.930 -4.505 1.00 0.00 C ATOM 49530 O2 C B2306 -25.489 107.410 -5.598 1.00 0.00 O ATOM 49531 N3 C B2306 -25.140 109.275 -4.344 1.00 0.00 N ATOM 49532 C4 C B2306 -24.854 109.799 -3.143 1.00 0.00 C ATOM 49533 N4 C B2306 -24.788 111.117 -3.038 1.00 0.00 N ATOM 49534 C5 C B2306 -24.624 108.971 -2.002 1.00 0.00 C ATOM 49535 C6 C B2306 -24.711 107.626 -2.187 1.00 0.00 C ATOM 49536 P G B2307 -20.661 104.527 -5.491 1.00 0.00 P ATOM 49537 O1P G B2307 -19.401 103.778 -5.687 1.00 0.00 O ATOM 49538 O2P G B2307 -20.521 105.906 -4.975 1.00 0.00 O ATOM 49539 O5* G B2307 -21.747 104.443 -6.941 1.00 0.00 O ATOM 49540 C5* G B2307 -23.029 104.920 -7.370 1.00 0.00 C ATOM 49541 C4* G B2307 -22.910 106.260 -8.267 1.00 0.00 C ATOM 49542 O4* G B2307 -23.646 107.458 -7.893 1.00 0.00 O ATOM 49543 C3* G B2307 -21.563 106.797 -8.762 1.00 0.00 C ATOM 49544 O3* G B2307 -20.850 105.749 -9.641 1.00 0.00 O ATOM 49545 C2* G B2307 -21.975 108.090 -9.458 1.00 0.00 C ATOM 49546 O2* G B2307 -22.563 107.822 -10.722 1.00 0.00 O ATOM 49547 C1* G B2307 -23.096 108.587 -8.550 1.00 0.00 C ATOM 49548 N9 G B2307 -22.598 109.725 -7.350 1.00 0.00 N ATOM 49549 C8 G B2307 -22.552 109.580 -5.983 1.00 0.00 C ATOM 49550 N7 G B2307 -22.229 110.676 -5.338 1.00 0.00 N ATOM 49551 C5 G B2307 -22.054 111.615 -6.353 1.00 0.00 C ATOM 49552 C6 G B2307 -21.694 112.986 -6.278 1.00 0.00 C ATOM 49553 O6 G B2307 -21.456 113.665 -5.286 1.00 0.00 O ATOM 49554 N1 G B2307 -21.620 113.566 -7.551 1.00 0.00 N ATOM 49555 C2 G B2307 -21.864 112.910 -8.742 1.00 0.00 C ATOM 49556 N2 G B2307 -21.742 113.642 -9.852 1.00 0.00 N ATOM 49557 N3 G B2307 -22.199 111.622 -8.811 1.00 0.00 N ATOM 49558 C4 G B2307 -22.271 111.043 -7.586 1.00 0.00 C ATOM 49559 P G B2308 -19.070 105.449 -9.412 1.00 0.00 P ATOM 49560 O1P G B2308 -18.762 104.003 -9.334 1.00 0.00 O ATOM 49561 O2P G B2308 -18.462 106.289 -8.358 1.00 0.00 O ATOM 49562 O5* G B2308 -18.780 106.113 -11.076 1.00 0.00 O ATOM 49563 C5* G B2308 -19.415 107.140 -11.854 1.00 0.00 C ATOM 49564 C4* G B2308 -18.975 108.636 -11.403 1.00 0.00 C ATOM 49565 O4* G B2308 -19.623 109.242 -10.247 1.00 0.00 O ATOM 49566 C3* G B2308 -17.509 109.044 -11.263 1.00 0.00 C ATOM 49567 O3* G B2308 -16.559 108.768 -12.418 1.00 0.00 O ATOM 49568 C2* G B2308 -17.626 110.450 -10.685 1.00 0.00 C ATOM 49569 O2* G B2308 -17.992 111.381 -11.689 1.00 0.00 O ATOM 49570 C1* G B2308 -18.827 110.304 -9.754 1.00 0.00 C ATOM 49571 N9 G B2308 -18.426 109.966 -8.108 1.00 0.00 N ATOM 49572 C8 G B2308 -18.499 108.774 -7.421 1.00 0.00 C ATOM 49573 N7 G B2308 -18.040 108.834 -6.192 1.00 0.00 N ATOM 49574 C5 G B2308 -17.635 110.163 -6.057 1.00 0.00 C ATOM 49575 C6 G B2308 -17.061 110.832 -4.945 1.00 0.00 C ATOM 49576 O6 G B2308 -16.783 110.384 -3.836 1.00 0.00 O ATOM 49577 N1 G B2308 -16.802 112.176 -5.239 1.00 0.00 N ATOM 49578 C2 G B2308 -17.068 112.796 -6.447 1.00 0.00 C ATOM 49579 N2 G B2308 -16.747 114.090 -6.524 1.00 0.00 N ATOM 49580 N3 G B2308 -17.608 112.167 -7.486 1.00 0.00 N ATOM 49581 C4 G B2308 -17.865 110.859 -7.221 1.00 0.00 C ATOM 49582 P A B2309 -14.932 108.180 -11.838 1.00 0.00 P ATOM 49583 O1P A B2309 -14.033 107.826 -12.959 1.00 0.00 O ATOM 49584 O2P A B2309 -15.059 107.167 -10.767 1.00 0.00 O ATOM 49585 O5* A B2309 -14.580 109.836 -11.181 1.00 0.00 O ATOM 49586 C5* A B2309 -15.032 110.753 -10.185 1.00 0.00 C ATOM 49587 C4* A B2309 -14.884 112.343 -10.541 1.00 0.00 C ATOM 49588 O4* A B2309 -15.382 113.214 -9.485 1.00 0.00 O ATOM 49589 C3* A B2309 -13.518 112.936 -10.896 1.00 0.00 C ATOM 49590 O3* A B2309 -12.987 112.516 -12.280 1.00 0.00 O ATOM 49591 C2* A B2309 -13.776 114.433 -10.743 1.00 0.00 C ATOM 49592 O2* A B2309 -14.506 114.941 -11.847 1.00 0.00 O ATOM 49593 C1* A B2309 -14.714 114.463 -9.536 1.00 0.00 C ATOM 49594 N9 A B2309 -13.948 114.715 -8.056 1.00 0.00 N ATOM 49595 C8 A B2309 -14.228 114.138 -6.842 1.00 0.00 C ATOM 49596 N7 A B2309 -13.564 114.653 -5.849 1.00 0.00 N ATOM 49597 C5 A B2309 -12.785 115.638 -6.444 1.00 0.00 C ATOM 49598 C6 A B2309 -11.853 116.549 -5.921 1.00 0.00 C ATOM 49599 N6 A B2309 -11.529 116.616 -4.621 1.00 0.00 N ATOM 49600 N1 A B2309 -11.263 117.388 -6.787 1.00 0.00 N ATOM 49601 C2 A B2309 -11.584 117.319 -8.075 1.00 0.00 C ATOM 49602 N3 A B2309 -12.434 116.512 -8.674 1.00 0.00 N ATOM 49603 C4 A B2309 -13.012 115.680 -7.785 1.00 0.00 C ATOM 49604 P C B2310 -11.734 111.191 -12.358 1.00 0.00 P ATOM 49605 O1P C B2310 -11.962 110.306 -13.522 1.00 0.00 O ATOM 49606 O2P C B2310 -11.523 110.510 -11.061 1.00 0.00 O ATOM 49607 O5* C B2310 -10.445 112.423 -12.705 1.00 0.00 O ATOM 49608 C5* C B2310 -9.866 113.677 -12.338 1.00 0.00 C ATOM 49609 C4* C B2310 -9.376 113.728 -10.793 1.00 0.00 C ATOM 49610 O4* C B2310 -10.347 114.053 -9.761 1.00 0.00 O ATOM 49611 C3* C B2310 -8.490 112.666 -10.146 1.00 0.00 C ATOM 49612 O3* C B2310 -7.145 112.413 -10.840 1.00 0.00 O ATOM 49613 C2* C B2310 -8.432 113.143 -8.697 1.00 0.00 C ATOM 49614 O2* C B2310 -7.549 114.243 -8.562 1.00 0.00 O ATOM 49615 C1* C B2310 -9.843 113.676 -8.491 1.00 0.00 C ATOM 49616 N1 C B2310 -10.935 112.557 -7.788 1.00 0.00 N ATOM 49617 C2 C B2310 -10.976 112.475 -6.398 1.00 0.00 C ATOM 49618 O2 C B2310 -10.223 113.199 -5.734 1.00 0.00 O ATOM 49619 N3 C B2310 -11.843 111.604 -5.820 1.00 0.00 N ATOM 49620 C4 C B2310 -12.644 110.840 -6.573 1.00 0.00 C ATOM 49621 N4 C B2310 -13.476 110.011 -5.960 1.00 0.00 N ATOM 49622 C5 C B2310 -12.619 110.908 -8.002 1.00 0.00 C ATOM 49623 C6 C B2310 -11.742 111.784 -8.561 1.00 0.00 C ATOM 49624 P A B2311 -6.962 110.819 -11.709 1.00 0.00 P ATOM 49625 O1P A B2311 -6.688 111.005 -13.150 1.00 0.00 O ATOM 49626 O2P A B2311 -8.044 109.861 -11.380 1.00 0.00 O ATOM 49627 O5* A B2311 -5.426 110.484 -10.796 1.00 0.00 O ATOM 49628 C5* A B2311 -4.260 110.714 -9.993 1.00 0.00 C ATOM 49629 C4* A B2311 -4.531 110.498 -8.403 1.00 0.00 C ATOM 49630 O4* A B2311 -5.767 111.068 -7.879 1.00 0.00 O ATOM 49631 C3* A B2311 -4.449 109.125 -7.733 1.00 0.00 C ATOM 49632 O3* A B2311 -3.048 108.478 -7.759 1.00 0.00 O ATOM 49633 C2* A B2311 -5.025 109.407 -6.351 1.00 0.00 C ATOM 49634 O2* A B2311 -4.081 110.076 -5.534 1.00 0.00 O ATOM 49635 C1* A B2311 -6.126 110.413 -6.676 1.00 0.00 C ATOM 49636 N9 A B2311 -7.657 109.740 -6.876 1.00 0.00 N ATOM 49637 C8 A B2311 -8.473 109.789 -7.981 1.00 0.00 C ATOM 49638 N7 A B2311 -9.653 109.293 -7.789 1.00 0.00 N ATOM 49639 C5 A B2311 -9.628 108.876 -6.464 1.00 0.00 C ATOM 49640 C6 A B2311 -10.586 108.257 -5.645 1.00 0.00 C ATOM 49641 N6 A B2311 -11.819 107.936 -6.063 1.00 0.00 N ATOM 49642 N1 A B2311 -10.234 107.982 -4.377 1.00 0.00 N ATOM 49643 C2 A B2311 -9.008 108.307 -3.964 1.00 0.00 C ATOM 49644 N3 A B2311 -8.035 108.880 -4.635 1.00 0.00 N ATOM 49645 C4 A B2311 -8.413 109.147 -5.898 1.00 0.00 C ATOM 49646 P U B2312 -2.943 106.759 -8.362 1.00 0.00 P ATOM 49647 O1P U B2312 -1.610 106.410 -8.904 1.00 0.00 O ATOM 49648 O2P U B2312 -4.096 106.403 -9.218 1.00 0.00 O ATOM 49649 O5* U B2312 -3.123 106.111 -6.911 1.00 0.00 O ATOM 49650 C5* U B2312 -2.154 106.403 -5.889 1.00 0.00 C ATOM 49651 C4* U B2312 -2.587 105.792 -4.571 1.00 0.00 C ATOM 49652 O4* U B2312 -3.779 106.483 -4.101 1.00 0.00 O ATOM 49653 C3* U B2312 -3.008 104.324 -4.626 1.00 0.00 C ATOM 49654 O3* U B2312 -1.909 103.472 -4.541 1.00 0.00 O ATOM 49655 C2* U B2312 -3.935 104.212 -3.418 1.00 0.00 C ATOM 49656 O2* U B2312 -3.187 104.161 -2.214 1.00 0.00 O ATOM 49657 C1* U B2312 -4.639 105.565 -3.444 1.00 0.00 C ATOM 49658 N1 U B2312 -5.938 105.549 -4.174 1.00 0.00 N ATOM 49659 C2 U B2312 -7.000 104.946 -3.544 1.00 0.00 C ATOM 49660 O2 U B2312 -6.915 104.439 -2.438 1.00 0.00 O ATOM 49661 N3 U B2312 -8.189 104.950 -4.250 1.00 0.00 N ATOM 49662 C4 U B2312 -8.396 105.495 -5.501 1.00 0.00 C ATOM 49663 O4 U B2312 -9.506 105.438 -6.034 1.00 0.00 O ATOM 49664 C5 U B2312 -7.221 106.104 -6.082 1.00 0.00 C ATOM 49665 C6 U B2312 -6.053 106.114 -5.417 1.00 0.00 C ATOM 49666 P C B2313 -1.946 102.061 -5.358 1.00 0.00 P ATOM 49667 O1P C B2313 -0.586 101.484 -5.444 1.00 0.00 O ATOM 49668 O2P C B2313 -2.648 102.252 -6.646 1.00 0.00 O ATOM 49669 O5* C B2313 -2.847 101.170 -4.378 1.00 0.00 O ATOM 49670 C5* C B2313 -2.390 100.934 -3.034 1.00 0.00 C ATOM 49671 C4* C B2313 -3.451 100.181 -2.251 1.00 0.00 C ATOM 49672 O4* C B2313 -4.600 101.054 -2.059 1.00 0.00 O ATOM 49673 C3* C B2313 -4.034 98.945 -2.940 1.00 0.00 C ATOM 49674 O3* C B2313 -3.235 97.822 -2.737 1.00 0.00 O ATOM 49675 C2* C B2313 -5.403 98.825 -2.270 1.00 0.00 C ATOM 49676 O2* C B2313 -5.279 98.287 -0.966 1.00 0.00 O ATOM 49677 C1* C B2313 -5.797 100.289 -2.111 1.00 0.00 C ATOM 49678 N1 C B2313 -6.626 100.811 -3.232 1.00 0.00 N ATOM 49679 C2 C B2313 -7.957 100.410 -3.295 1.00 0.00 C ATOM 49680 O2 C B2313 -8.393 99.643 -2.427 1.00 0.00 O ATOM 49681 N3 C B2313 -8.734 100.874 -4.309 1.00 0.00 N ATOM 49682 C4 C B2313 -8.225 101.703 -5.233 1.00 0.00 C ATOM 49683 N4 C B2313 -9.022 102.128 -6.199 1.00 0.00 N ATOM 49684 C5 C B2313 -6.859 102.127 -5.184 1.00 0.00 C ATOM 49685 C6 C B2313 -6.102 101.652 -4.163 1.00 0.00 C ATOM 49686 P A B2314 -3.136 96.707 -3.925 1.00 0.00 P ATOM 49687 O1P A B2314 -1.987 95.805 -3.686 1.00 0.00 O ATOM 49688 O2P A B2314 -3.160 97.386 -5.240 1.00 0.00 O ATOM 49689 O5* A B2314 -4.506 95.909 -3.703 1.00 0.00 O ATOM 49690 C5* A B2314 -4.731 95.245 -2.445 1.00 0.00 C ATOM 49691 C4* A B2314 -6.130 94.666 -2.408 1.00 0.00 C ATOM 49692 O4* A B2314 -7.092 95.758 -2.381 1.00 0.00 O ATOM 49693 C3* A B2314 -6.541 93.842 -3.628 1.00 0.00 C ATOM 49694 O3* A B2314 -6.105 92.524 -3.526 1.00 0.00 O ATOM 49695 C2* A B2314 -8.063 93.961 -3.595 1.00 0.00 C ATOM 49696 O2* A B2314 -8.614 93.122 -2.594 1.00 0.00 O ATOM 49697 C1* A B2314 -8.249 95.399 -3.122 1.00 0.00 C ATOM 49698 N9 A B2314 -8.406 96.381 -4.232 1.00 0.00 N ATOM 49699 C8 A B2314 -7.505 97.306 -4.706 1.00 0.00 C ATOM 49700 N7 A B2314 -7.954 98.019 -5.693 1.00 0.00 N ATOM 49701 C5 A B2314 -9.239 97.542 -5.898 1.00 0.00 C ATOM 49702 C6 A B2314 -10.247 97.889 -6.811 1.00 0.00 C ATOM 49703 N6 A B2314 -10.105 98.850 -7.735 1.00 0.00 N ATOM 49704 N1 A B2314 -11.408 97.216 -6.740 1.00 0.00 N ATOM 49705 C2 A B2314 -11.542 96.261 -5.819 1.00 0.00 C ATOM 49706 N3 A B2314 -10.677 95.850 -4.919 1.00 0.00 N ATOM 49707 C4 A B2314 -9.523 96.544 -5.012 1.00 0.00 C ATOM 49708 P G B2315 -5.674 91.731 -4.887 1.00 0.00 P ATOM 49709 O1P G B2315 -4.906 90.510 -4.547 1.00 0.00 O ATOM 49710 O2P G B2315 -5.006 92.672 -5.814 1.00 0.00 O ATOM 49711 O5* G B2315 -7.110 91.324 -5.466 1.00 0.00 O ATOM 49712 C5* G B2315 -7.966 90.482 -4.677 1.00 0.00 C ATOM 49713 C4* G B2315 -9.312 90.329 -5.356 1.00 0.00 C ATOM 49714 O4* G B2315 -10.000 91.613 -5.332 1.00 0.00 O ATOM 49715 C3* G B2315 -9.272 89.962 -6.839 1.00 0.00 C ATOM 49716 O3* G B2315 -9.141 88.587 -7.023 1.00 0.00 O ATOM 49717 C2* G B2315 -10.612 90.498 -7.338 1.00 0.00 C ATOM 49718 O2* G B2315 -11.672 89.642 -6.951 1.00 0.00 O ATOM 49719 C1* G B2315 -10.755 91.778 -6.522 1.00 0.00 C ATOM 49720 N9 G B2315 -10.250 92.994 -7.221 1.00 0.00 N ATOM 49721 C8 G B2315 -9.097 93.711 -6.995 1.00 0.00 C ATOM 49722 N7 G B2315 -8.944 94.742 -7.793 1.00 0.00 N ATOM 49723 C5 G B2315 -10.076 94.702 -8.605 1.00 0.00 C ATOM 49724 C6 G B2315 -10.474 95.561 -9.664 1.00 0.00 C ATOM 49725 O6 G B2315 -9.898 96.550 -10.109 1.00 0.00 O ATOM 49726 N1 G B2315 -11.695 95.157 -10.218 1.00 0.00 N ATOM 49727 C2 G B2315 -12.435 94.065 -9.807 1.00 0.00 C ATOM 49728 N2 G B2315 -13.577 93.847 -10.467 1.00 0.00 N ATOM 49729 N3 G B2315 -12.064 93.260 -8.815 1.00 0.00 N ATOM 49730 C4 G B2315 -10.882 93.637 -8.264 1.00 0.00 C ATOM 49731 P G B2316 -8.289 88.043 -8.303 1.00 0.00 P ATOM 49732 O1P G B2316 -7.957 86.611 -8.127 1.00 0.00 O ATOM 49733 O2P G B2316 -7.142 88.946 -8.551 1.00 0.00 O ATOM 49734 O5* G B2316 -9.367 88.207 -9.475 1.00 0.00 O ATOM 49735 C5* G B2316 -10.609 87.482 -9.386 1.00 0.00 C ATOM 49736 C4* G B2316 -11.524 87.878 -10.525 1.00 0.00 C ATOM 49737 O4* G B2316 -11.937 89.263 -10.337 1.00 0.00 O ATOM 49738 C3* G B2316 -10.894 87.871 -11.921 1.00 0.00 C ATOM 49739 O3* G B2316 -10.919 86.596 -12.483 1.00 0.00 O ATOM 49740 C2* G B2316 -11.774 88.864 -12.676 1.00 0.00 C ATOM 49741 O2* G B2316 -13.020 88.278 -13.014 1.00 0.00 O ATOM 49742 C1* G B2316 -12.054 89.907 -11.598 1.00 0.00 C ATOM 49743 N9 G B2316 -11.108 91.057 -11.617 1.00 0.00 N ATOM 49744 C8 G B2316 -10.072 91.345 -10.756 1.00 0.00 C ATOM 49745 N7 G B2316 -9.423 92.444 -11.050 1.00 0.00 N ATOM 49746 C5 G B2316 -10.073 92.919 -12.190 1.00 0.00 C ATOM 49747 C6 G B2316 -9.823 94.074 -12.974 1.00 0.00 C ATOM 49748 O6 G B2316 -8.961 94.933 -12.822 1.00 0.00 O ATOM 49749 N1 G B2316 -10.723 94.172 -14.043 1.00 0.00 N ATOM 49750 C2 G B2316 -11.733 93.273 -14.322 1.00 0.00 C ATOM 49751 N2 G B2316 -12.486 93.545 -15.389 1.00 0.00 N ATOM 49752 N3 G B2316 -11.966 92.186 -13.586 1.00 0.00 N ATOM 49753 C4 G B2316 -11.103 92.075 -12.544 1.00 0.00 C ATOM 49754 P A B2317 -9.688 86.145 -13.457 1.00 0.00 P ATOM 49755 O1P A B2317 -9.702 84.679 -13.652 1.00 0.00 O ATOM 49756 O2P A B2317 -8.423 86.716 -12.947 1.00 0.00 O ATOM 49757 O5* A B2317 -10.103 86.873 -14.821 1.00 0.00 O ATOM 49758 C5* A B2317 -11.355 86.530 -15.445 1.00 0.00 C ATOM 49759 C4* A B2317 -11.597 87.424 -16.642 1.00 0.00 C ATOM 49760 O4* A B2317 -11.825 88.785 -16.178 1.00 0.00 O ATOM 49761 C3* A B2317 -10.432 87.560 -17.623 1.00 0.00 C ATOM 49762 O3* A B2317 -10.410 86.514 -18.539 1.00 0.00 O ATOM 49763 C2* A B2317 -10.720 88.909 -18.277 1.00 0.00 C ATOM 49764 O2* A B2317 -11.766 88.795 -19.227 1.00 0.00 O ATOM 49765 C1* A B2317 -11.274 89.709 -17.102 1.00 0.00 C ATOM 49766 N9 A B2317 -10.244 90.516 -16.388 1.00 0.00 N ATOM 49767 C8 A B2317 -9.664 90.288 -15.159 1.00 0.00 C ATOM 49768 N7 A B2317 -8.795 91.186 -14.814 1.00 0.00 N ATOM 49769 C5 A B2317 -8.786 92.074 -15.880 1.00 0.00 C ATOM 49770 C6 A B2317 -8.065 93.252 -16.128 1.00 0.00 C ATOM 49771 N6 A B2317 -7.168 93.763 -15.273 1.00 0.00 N ATOM 49772 N1 A B2317 -8.300 93.892 -17.289 1.00 0.00 N ATOM 49773 C2 A B2317 -9.193 93.380 -18.134 1.00 0.00 C ATOM 49774 N3 A B2317 -9.924 92.292 -18.014 1.00 0.00 N ATOM 49775 C4 A B2317 -9.668 91.671 -16.842 1.00 0.00 C ATOM 49776 P G B2318 -9.356 85.037 -18.043 1.00 0.00 P ATOM 49777 O1P G B2318 -8.353 84.778 -19.103 1.00 0.00 O ATOM 49778 O2P G B2318 -10.277 83.918 -17.734 1.00 0.00 O ATOM 49779 O5* G B2318 -8.428 85.540 -16.505 1.00 0.00 O ATOM 49780 C5* G B2318 -7.136 85.663 -15.772 1.00 0.00 C ATOM 49781 C4* G B2318 -6.644 84.649 -14.537 1.00 0.00 C ATOM 49782 O4* G B2318 -6.100 83.367 -14.972 1.00 0.00 O ATOM 49783 C3* G B2318 -5.701 85.084 -13.418 1.00 0.00 C ATOM 49784 O3* G B2318 -6.132 86.123 -12.349 1.00 0.00 O ATOM 49785 C2* G B2318 -5.359 83.757 -12.750 1.00 0.00 C ATOM 49786 O2* G B2318 -6.437 83.310 -11.940 1.00 0.00 O ATOM 49787 C1* G B2318 -5.288 82.822 -13.949 1.00 0.00 C ATOM 49788 N9 G B2318 -3.703 82.586 -14.583 1.00 0.00 N ATOM 49789 C8 G B2318 -3.255 82.714 -15.879 1.00 0.00 C ATOM 49790 N7 G B2318 -1.978 82.462 -16.028 1.00 0.00 N ATOM 49791 C5 G B2318 -1.551 82.137 -14.745 1.00 0.00 C ATOM 49792 C6 G B2318 -0.262 81.770 -14.275 1.00 0.00 C ATOM 49793 O6 G B2318 0.784 81.650 -14.910 1.00 0.00 O ATOM 49794 N1 G B2318 -0.269 81.529 -12.894 1.00 0.00 N ATOM 49795 C2 G B2318 -1.375 81.625 -12.077 1.00 0.00 C ATOM 49796 N2 G B2318 -1.176 81.353 -10.783 1.00 0.00 N ATOM 49797 N3 G B2318 -2.582 81.974 -12.514 1.00 0.00 N ATOM 49798 C4 G B2318 -2.593 82.210 -13.851 1.00 0.00 C ATOM 49799 P G B2319 -4.801 87.144 -11.575 1.00 0.00 P ATOM 49800 O1P G B2319 -5.165 88.576 -11.656 1.00 0.00 O ATOM 49801 O2P G B2319 -3.471 86.784 -12.122 1.00 0.00 O ATOM 49802 O5* G B2319 -4.953 86.560 -9.829 1.00 0.00 O ATOM 49803 C5* G B2319 -4.097 86.887 -8.679 1.00 0.00 C ATOM 49804 C4* G B2319 -4.678 86.676 -7.154 1.00 0.00 C ATOM 49805 O4* G B2319 -6.017 86.107 -7.106 1.00 0.00 O ATOM 49806 C3* G B2319 -3.908 85.894 -6.088 1.00 0.00 C ATOM 49807 O3* G B2319 -2.653 86.666 -5.577 1.00 0.00 O ATOM 49808 C2* G B2319 -4.971 85.688 -5.015 1.00 0.00 C ATOM 49809 O2* G B2319 -5.182 86.880 -4.275 1.00 0.00 O ATOM 49810 C1* G B2319 -6.224 85.458 -5.860 1.00 0.00 C ATOM 49811 N9 G B2319 -6.595 83.787 -6.168 1.00 0.00 N ATOM 49812 C8 G B2319 -7.470 82.956 -5.505 1.00 0.00 C ATOM 49813 N7 G B2319 -7.622 81.780 -6.068 1.00 0.00 N ATOM 49814 C5 G B2319 -6.792 81.841 -7.185 1.00 0.00 C ATOM 49815 C6 G B2319 -6.539 80.868 -8.185 1.00 0.00 C ATOM 49816 O6 G B2319 -6.999 79.734 -8.298 1.00 0.00 O ATOM 49817 N1 G B2319 -5.624 81.343 -9.142 1.00 0.00 N ATOM 49818 C2 G B2319 -5.040 82.597 -9.130 1.00 0.00 C ATOM 49819 N2 G B2319 -4.198 82.858 -10.130 1.00 0.00 N ATOM 49820 N3 G B2319 -5.282 83.505 -8.191 1.00 0.00 N ATOM 49821 C4 G B2319 -6.161 83.062 -7.252 1.00 0.00 C ATOM 49822 P U B2320 -2.683 88.508 -5.673 1.00 0.00 P ATOM 49823 O1P U B2320 -3.571 88.977 -6.757 1.00 0.00 O ATOM 49824 O2P U B2320 -1.317 89.077 -5.669 1.00 0.00 O ATOM 49825 O5* U B2320 -3.228 88.726 -3.928 1.00 0.00 O ATOM 49826 C5* U B2320 -2.139 88.847 -2.944 1.00 0.00 C ATOM 49827 C4* U B2320 -2.345 89.734 -1.544 1.00 0.00 C ATOM 49828 O4* U B2320 -3.700 90.146 -1.195 1.00 0.00 O ATOM 49829 C3* U B2320 -1.475 90.906 -1.088 1.00 0.00 C ATOM 49830 O3* U B2320 0.074 90.964 -1.169 1.00 0.00 O ATOM 49831 C2* U B2320 -2.369 92.105 -1.395 1.00 0.00 C ATOM 49832 O2* U B2320 -2.372 92.383 -2.788 1.00 0.00 O ATOM 49833 C1* U B2320 -3.747 91.558 -1.050 1.00 0.00 C ATOM 49834 N1 U B2320 -4.277 91.915 0.523 1.00 0.00 N ATOM 49835 C2 U B2320 -3.892 93.123 1.050 1.00 0.00 C ATOM 49836 O2 U B2320 -3.098 93.866 0.491 1.00 0.00 O ATOM 49837 N3 U B2320 -4.469 93.454 2.261 1.00 0.00 N ATOM 49838 C4 U B2320 -5.370 92.694 2.974 1.00 0.00 C ATOM 49839 O4 U B2320 -5.814 93.095 4.053 1.00 0.00 O ATOM 49840 C5 U B2320 -5.710 91.442 2.345 1.00 0.00 C ATOM 49841 C6 U B2320 -5.170 91.095 1.166 1.00 0.00 C ATOM 49842 P U B2321 0.762 92.653 -1.356 1.00 0.00 P ATOM 49843 O1P U B2321 2.079 93.057 -0.814 1.00 0.00 O ATOM 49844 O2P U B2321 -0.368 93.552 -1.032 1.00 0.00 O ATOM 49845 O5* U B2321 0.863 92.459 -2.939 1.00 0.00 O ATOM 49846 C5* U B2321 -0.037 91.538 -3.586 1.00 0.00 C ATOM 49847 C4* U B2321 0.147 91.603 -5.090 1.00 0.00 C ATOM 49848 O4* U B2321 -0.311 92.902 -5.564 1.00 0.00 O ATOM 49849 C3* U B2321 1.590 91.517 -5.587 1.00 0.00 C ATOM 49850 O3* U B2321 2.016 90.196 -5.698 1.00 0.00 O ATOM 49851 C2* U B2321 1.503 92.223 -6.940 1.00 0.00 C ATOM 49852 O2* U B2321 0.906 91.380 -7.909 1.00 0.00 O ATOM 49853 C1* U B2321 0.503 93.334 -6.643 1.00 0.00 C ATOM 49854 N1 U B2321 1.136 94.624 -6.249 1.00 0.00 N ATOM 49855 C2 U B2321 1.737 95.355 -7.247 1.00 0.00 C ATOM 49856 O2 U B2321 1.764 94.991 -8.411 1.00 0.00 O ATOM 49857 N3 U B2321 2.315 96.544 -6.848 1.00 0.00 N ATOM 49858 C4 U B2321 2.342 97.047 -5.561 1.00 0.00 C ATOM 49859 O4 U B2321 2.891 98.127 -5.324 1.00 0.00 O ATOM 49860 C5 U B2321 1.688 96.211 -4.586 1.00 0.00 C ATOM 49861 C6 U B2321 1.120 95.051 -4.946 1.00 0.00 C ATOM 49862 P A B2322 1.638 88.551 -4.412 1.00 0.00 P ATOM 49863 O1P A B2322 2.502 88.758 -3.228 1.00 0.00 O ATOM 49864 O2P A B2322 0.404 89.362 -4.462 1.00 0.00 O ATOM 49865 O5* A B2322 0.137 87.328 -3.538 1.00 0.00 O ATOM 49866 C5* A B2322 -0.652 87.199 -2.095 1.00 0.00 C ATOM 49867 C4* A B2322 -1.997 86.233 -1.456 1.00 0.00 C ATOM 49868 O4* A B2322 -3.107 86.305 -2.393 1.00 0.00 O ATOM 49869 C3* A B2322 -2.629 85.694 -0.172 1.00 0.00 C ATOM 49870 O3* A B2322 -2.686 85.516 1.467 1.00 0.00 O ATOM 49871 C2* A B2322 -4.004 86.358 -0.193 1.00 0.00 C ATOM 49872 O2* A B2322 -3.908 87.724 0.189 1.00 0.00 O ATOM 49873 C1* A B2322 -4.340 86.335 -1.680 1.00 0.00 C ATOM 49874 N9 A B2322 -5.268 85.019 -2.170 1.00 0.00 N ATOM 49875 C8 A B2322 -4.920 83.686 -2.185 1.00 0.00 C ATOM 49876 N7 A B2322 -5.901 82.887 -2.466 1.00 0.00 N ATOM 49877 C5 A B2322 -6.981 83.742 -2.655 1.00 0.00 C ATOM 49878 C6 A B2322 -8.325 83.509 -2.981 1.00 0.00 C ATOM 49879 N6 A B2322 -8.837 82.285 -3.184 1.00 0.00 N ATOM 49880 N1 A B2322 -9.133 84.582 -3.091 1.00 0.00 N ATOM 49881 C2 A B2322 -8.622 85.792 -2.884 1.00 0.00 C ATOM 49882 N3 A B2322 -7.388 86.130 -2.578 1.00 0.00 N ATOM 49883 C4 A B2322 -6.601 85.043 -2.474 1.00 0.00 C ATOM 49884 P G B2323 -1.811 84.579 2.791 1.00 0.00 P ATOM 49885 O1P G B2323 -1.475 83.181 2.437 1.00 0.00 O ATOM 49886 O2P G B2323 -2.094 84.831 4.223 1.00 0.00 O ATOM 49887 O5* G B2323 -0.648 85.557 2.290 1.00 0.00 O ATOM 49888 C5* G B2323 -1.005 86.811 1.679 1.00 0.00 C ATOM 49889 C4* G B2323 0.240 87.627 1.402 1.00 0.00 C ATOM 49890 O4* G B2323 0.830 88.035 2.669 1.00 0.00 O ATOM 49891 C3* G B2323 1.376 86.888 0.689 1.00 0.00 C ATOM 49892 O3* G B2323 1.194 86.887 -0.692 1.00 0.00 O ATOM 49893 C2* G B2323 2.601 87.692 1.121 1.00 0.00 C ATOM 49894 O2* G B2323 2.678 88.914 0.407 1.00 0.00 O ATOM 49895 C1* G B2323 2.246 88.041 2.561 1.00 0.00 C ATOM 49896 N9 G B2323 2.787 87.079 3.563 1.00 0.00 N ATOM 49897 C8 G B2323 2.125 86.112 4.289 1.00 0.00 C ATOM 49898 N7 G B2323 2.900 85.426 5.093 1.00 0.00 N ATOM 49899 C5 G B2323 4.164 85.977 4.886 1.00 0.00 C ATOM 49900 C6 G B2323 5.413 85.647 5.475 1.00 0.00 C ATOM 49901 O6 G B2323 5.666 84.790 6.315 1.00 0.00 O ATOM 49902 N1 G B2323 6.443 86.458 4.978 1.00 0.00 N ATOM 49903 C2 G B2323 6.289 87.456 4.034 1.00 0.00 C ATOM 49904 N2 G B2323 7.396 88.114 3.691 1.00 0.00 N ATOM 49905 N3 G B2323 5.117 87.763 3.482 1.00 0.00 N ATOM 49906 C4 G B2323 4.106 86.985 3.955 1.00 0.00 C ATOM 49907 P U B2324 1.696 85.587 -1.547 1.00 0.00 P ATOM 49908 O1P U B2324 1.100 85.604 -2.901 1.00 0.00 O ATOM 49909 O2P U B2324 1.462 84.358 -0.757 1.00 0.00 O ATOM 49910 O5* U B2324 3.266 85.880 -1.644 1.00 0.00 O ATOM 49911 C5* U B2324 3.713 87.083 -2.297 1.00 0.00 C ATOM 49912 C4* U B2324 5.217 87.218 -2.163 1.00 0.00 C ATOM 49913 O4* U B2324 5.544 87.462 -0.766 1.00 0.00 O ATOM 49914 C3* U B2324 6.032 85.974 -2.520 1.00 0.00 C ATOM 49915 O3* U B2324 6.268 85.894 -3.891 1.00 0.00 O ATOM 49916 C2* U B2324 7.312 86.189 -1.715 1.00 0.00 C ATOM 49917 O2* U B2324 8.141 87.157 -2.337 1.00 0.00 O ATOM 49918 C1* U B2324 6.769 86.824 -0.439 1.00 0.00 C ATOM 49919 N1 U B2324 6.502 85.845 0.651 1.00 0.00 N ATOM 49920 C2 U B2324 7.591 85.326 1.306 1.00 0.00 C ATOM 49921 O2 U B2324 8.739 85.634 1.033 1.00 0.00 O ATOM 49922 N3 U B2324 7.305 84.422 2.308 1.00 0.00 N ATOM 49923 C4 U B2324 6.051 84.002 2.701 1.00 0.00 C ATOM 49924 O4 U B2324 5.918 83.185 3.616 1.00 0.00 O ATOM 49925 C5 U B2324 4.970 84.602 1.953 1.00 0.00 C ATOM 49926 C6 U B2324 5.220 85.484 0.975 1.00 0.00 C ATOM 49927 P G B2325 7.088 84.323 -4.365 1.00 0.00 P ATOM 49928 O1P G B2325 8.433 84.220 -3.750 1.00 0.00 O ATOM 49929 O2P G B2325 7.023 84.070 -5.824 1.00 0.00 O ATOM 49930 O5* G B2325 5.861 83.358 -3.434 1.00 0.00 O ATOM 49931 C5* G B2325 5.042 82.708 -2.453 1.00 0.00 C ATOM 49932 C4* G B2325 3.487 82.588 -2.895 1.00 0.00 C ATOM 49933 O4* G B2325 3.090 83.140 -4.184 1.00 0.00 O ATOM 49934 C3* G B2325 2.619 81.340 -2.743 1.00 0.00 C ATOM 49935 O3* G B2325 2.678 80.648 -1.375 1.00 0.00 O ATOM 49936 C2* G B2325 1.306 81.779 -3.396 1.00 0.00 C ATOM 49937 O2* G B2325 0.581 82.636 -2.528 1.00 0.00 O ATOM 49938 C1* G B2325 1.813 82.644 -4.544 1.00 0.00 C ATOM 49939 N9 G B2325 1.955 81.827 -6.045 1.00 0.00 N ATOM 49940 C8 G B2325 3.092 81.418 -6.710 1.00 0.00 C ATOM 49941 N7 G B2325 2.856 80.689 -7.770 1.00 0.00 N ATOM 49942 C5 G B2325 1.464 80.607 -7.816 1.00 0.00 C ATOM 49943 C6 G B2325 0.616 79.946 -8.740 1.00 0.00 C ATOM 49944 O6 G B2325 0.919 79.287 -9.730 1.00 0.00 O ATOM 49945 N1 G B2325 -0.737 80.123 -8.413 1.00 0.00 N ATOM 49946 C2 G B2325 -1.204 80.843 -7.330 1.00 0.00 C ATOM 49947 N2 G B2325 -2.533 80.895 -7.189 1.00 0.00 N ATOM 49948 N3 G B2325 -0.409 81.464 -6.463 1.00 0.00 N ATOM 49949 C4 G B2325 0.911 81.303 -6.769 1.00 0.00 C ATOM 49950 P C B2326 1.150 80.185 -0.473 1.00 0.00 P ATOM 49951 O1P C B2326 0.145 81.271 -0.446 1.00 0.00 O ATOM 49952 O2P C B2326 1.502 79.594 0.837 1.00 0.00 O ATOM 49953 O5* C B2326 0.738 78.855 -1.658 1.00 0.00 O ATOM 49954 C5* C B2326 0.849 77.443 -1.359 1.00 0.00 C ATOM 49955 C4* C B2326 0.211 76.395 -2.422 1.00 0.00 C ATOM 49956 O4* C B2326 -1.230 76.350 -2.624 1.00 0.00 O ATOM 49957 C3* C B2326 0.787 76.137 -3.815 1.00 0.00 C ATOM 49958 O3* C B2326 2.293 76.187 -4.114 1.00 0.00 O ATOM 49959 C2* C B2326 -0.206 75.127 -4.391 1.00 0.00 C ATOM 49960 O2* C B2326 0.010 73.840 -3.839 1.00 0.00 O ATOM 49961 C1* C B2326 -1.526 75.640 -3.821 1.00 0.00 C ATOM 49962 N1 C B2326 -2.399 76.682 -4.864 1.00 0.00 N ATOM 49963 C2 C B2326 -3.074 76.110 -5.940 1.00 0.00 C ATOM 49964 O2 C B2326 -3.004 74.886 -6.100 1.00 0.00 O ATOM 49965 N3 C B2326 -3.780 76.914 -6.772 1.00 0.00 N ATOM 49966 C4 C B2326 -3.830 78.234 -6.561 1.00 0.00 C ATOM 49967 N4 C B2326 -4.534 78.980 -7.405 1.00 0.00 N ATOM 49968 C5 C B2326 -3.146 78.848 -5.463 1.00 0.00 C ATOM 49969 C6 C B2326 -2.443 78.027 -4.643 1.00 0.00 C ATOM 49970 P A B2327 2.712 77.844 -4.820 1.00 0.00 P ATOM 49971 O1P A B2327 2.394 78.892 -3.832 1.00 0.00 O ATOM 49972 O2P A B2327 2.073 77.992 -6.147 1.00 0.00 O ATOM 49973 O5* A B2327 4.531 77.717 -5.050 1.00 0.00 O ATOM 49974 C5* A B2327 5.336 78.895 -5.397 1.00 0.00 C ATOM 49975 C4* A B2327 6.272 79.366 -4.137 1.00 0.00 C ATOM 49976 O4* A B2327 5.579 79.934 -2.989 1.00 0.00 O ATOM 49977 C3* A B2327 7.105 78.232 -3.538 1.00 0.00 C ATOM 49978 O3* A B2327 8.026 77.752 -4.819 1.00 0.00 O ATOM 49979 C2* A B2327 7.516 78.818 -2.186 1.00 0.00 C ATOM 49980 O2* A B2327 8.554 79.768 -2.344 1.00 0.00 O ATOM 49981 C1* A B2327 6.258 79.591 -1.797 1.00 0.00 C ATOM 49982 N9 A B2327 5.193 78.747 -0.804 1.00 0.00 N ATOM 49983 C8 A B2327 4.290 77.758 -1.154 1.00 0.00 C ATOM 49984 N7 A B2327 3.730 77.181 -0.138 1.00 0.00 N ATOM 49985 C5 A B2327 4.283 77.816 0.964 1.00 0.00 C ATOM 49986 C6 A B2327 4.100 77.650 2.346 1.00 0.00 C ATOM 49987 N6 A B2327 3.258 76.751 2.877 1.00 0.00 N ATOM 49988 N1 A B2327 4.812 78.448 3.166 1.00 0.00 N ATOM 49989 C2 A B2327 5.642 79.335 2.634 1.00 0.00 C ATOM 49990 N3 A B2327 5.901 79.576 1.363 1.00 0.00 N ATOM 49991 C4 A B2327 5.174 78.769 0.565 1.00 0.00 C ATOM 49992 P A B2328 9.767 78.379 -4.923 1.00 0.00 P ATOM 49993 O1P A B2328 9.355 79.569 -4.140 1.00 0.00 O ATOM 49994 O2P A B2328 10.872 78.588 -5.881 1.00 0.00 O ATOM 49995 O5* A B2328 10.127 77.178 -3.931 1.00 0.00 O ATOM 49996 C5* A B2328 9.216 76.067 -3.817 1.00 0.00 C ATOM 49997 C4* A B2328 9.812 74.998 -2.928 1.00 0.00 C ATOM 49998 O4* A B2328 10.961 74.410 -3.603 1.00 0.00 O ATOM 49999 C3* A B2328 10.374 75.477 -1.591 1.00 0.00 C ATOM 50000 O3* A B2328 9.377 75.581 -0.624 1.00 0.00 O ATOM 50001 C2* A B2328 11.401 74.393 -1.267 1.00 0.00 C ATOM 50002 O2* A B2328 10.757 73.217 -0.801 1.00 0.00 O ATOM 50003 C1* A B2328 11.959 74.077 -2.650 1.00 0.00 C ATOM 50004 N9 A B2328 13.190 74.843 -2.988 1.00 0.00 N ATOM 50005 C8 A B2328 13.342 75.905 -3.851 1.00 0.00 C ATOM 50006 N7 A B2328 14.557 76.353 -3.924 1.00 0.00 N ATOM 50007 C5 A B2328 15.268 75.539 -3.056 1.00 0.00 C ATOM 50008 C6 A B2328 16.622 75.504 -2.684 1.00 0.00 C ATOM 50009 N6 A B2328 17.544 76.350 -3.169 1.00 0.00 N ATOM 50010 N1 A B2328 16.998 74.567 -1.795 1.00 0.00 N ATOM 50011 C2 A B2328 16.079 73.728 -1.319 1.00 0.00 C ATOM 50012 N3 A B2328 14.793 73.667 -1.587 1.00 0.00 N ATOM 50013 C4 A B2328 14.443 74.617 -2.482 1.00 0.00 C ATOM 50014 P U B2329 9.492 76.760 0.502 1.00 0.00 P ATOM 50015 O1P U B2329 8.196 76.937 1.192 1.00 0.00 O ATOM 50016 O2P U B2329 10.068 77.977 -0.118 1.00 0.00 O ATOM 50017 O5* U B2329 10.555 76.112 1.508 1.00 0.00 O ATOM 50018 C5* U B2329 10.234 74.867 2.155 1.00 0.00 C ATOM 50019 C4* U B2329 11.423 74.379 2.957 1.00 0.00 C ATOM 50020 O4* U B2329 12.489 74.005 2.039 1.00 0.00 O ATOM 50021 C3* U B2329 12.073 75.410 3.880 1.00 0.00 C ATOM 50022 O3* U B2329 11.412 75.493 5.104 1.00 0.00 O ATOM 50023 C2* U B2329 13.493 74.867 4.014 1.00 0.00 C ATOM 50024 O2* U B2329 13.530 73.761 4.898 1.00 0.00 O ATOM 50025 C1* U B2329 13.748 74.325 2.609 1.00 0.00 C ATOM 50026 N1 U B2329 14.430 75.294 1.709 1.00 0.00 N ATOM 50027 C2 U B2329 15.770 75.515 1.925 1.00 0.00 C ATOM 50028 O2 U B2329 16.398 74.960 2.808 1.00 0.00 O ATOM 50029 N3 U B2329 16.366 76.419 1.068 1.00 0.00 N ATOM 50030 C4 U B2329 15.754 77.103 0.040 1.00 0.00 C ATOM 50031 O4 U B2329 16.393 77.888 -0.661 1.00 0.00 O ATOM 50032 C5 U B2329 14.348 76.805 -0.108 1.00 0.00 C ATOM 50033 C6 U B2329 13.741 75.928 0.710 1.00 0.00 C ATOM 50034 P G B2330 11.332 76.936 5.859 1.00 0.00 P ATOM 50035 O1P G B2330 10.304 76.905 6.921 1.00 0.00 O ATOM 50036 O2P G B2330 11.181 78.009 4.852 1.00 0.00 O ATOM 50037 O5* G B2330 12.790 77.012 6.517 1.00 0.00 O ATOM 50038 C5* G B2330 13.178 76.001 7.464 1.00 0.00 C ATOM 50039 C4* G B2330 14.629 76.196 7.861 1.00 0.00 C ATOM 50040 O4* G B2330 15.476 75.911 6.709 1.00 0.00 O ATOM 50041 C3* G B2330 15.025 77.613 8.268 1.00 0.00 C ATOM 50042 O3* G B2330 14.736 77.865 9.607 1.00 0.00 O ATOM 50043 C2* G B2330 16.525 77.625 7.979 1.00 0.00 C ATOM 50044 O2* G B2330 17.236 76.923 8.986 1.00 0.00 O ATOM 50045 C1* G B2330 16.599 76.776 6.713 1.00 0.00 C ATOM 50046 N9 G B2330 16.568 77.574 5.456 1.00 0.00 N ATOM 50047 C8 G B2330 15.544 77.730 4.547 1.00 0.00 C ATOM 50048 N7 G B2330 15.842 78.508 3.535 1.00 0.00 N ATOM 50049 C5 G B2330 17.159 78.895 3.790 1.00 0.00 C ATOM 50050 C6 G B2330 18.023 79.737 3.047 1.00 0.00 C ATOM 50051 O6 G B2330 17.805 80.327 1.990 1.00 0.00 O ATOM 50052 N1 G B2330 19.273 79.863 3.666 1.00 0.00 N ATOM 50053 C2 G B2330 19.641 79.253 4.850 1.00 0.00 C ATOM 50054 N2 G B2330 20.881 79.498 5.277 1.00 0.00 N ATOM 50055 N3 G B2330 18.827 78.463 5.549 1.00 0.00 N ATOM 50056 C4 G B2330 17.609 78.330 4.958 1.00 0.00 C ATOM 50057 P G B2331 13.698 79.226 10.293 1.00 0.00 P ATOM 50058 O1P G B2331 14.523 79.385 11.512 1.00 0.00 O ATOM 50059 O2P G B2331 12.237 79.138 10.511 1.00 0.00 O ATOM 50060 O5* G B2331 14.022 80.404 9.261 1.00 0.00 O ATOM 50061 C5* G B2331 15.382 80.606 8.839 1.00 0.00 C ATOM 50062 C4* G B2331 15.437 81.684 7.774 1.00 0.00 C ATOM 50063 O4* G B2331 14.788 81.190 6.569 1.00 0.00 O ATOM 50064 C3* G B2331 14.685 82.978 8.093 1.00 0.00 C ATOM 50065 O3* G B2331 15.460 83.842 8.864 1.00 0.00 O ATOM 50066 C2* G B2331 14.393 83.530 6.700 1.00 0.00 C ATOM 50067 O2* G B2331 15.556 84.111 6.135 1.00 0.00 O ATOM 50068 C1* G B2331 14.109 82.252 5.916 1.00 0.00 C ATOM 50069 N9 G B2331 12.665 81.900 5.848 1.00 0.00 N ATOM 50070 C8 G B2331 11.978 80.908 6.512 1.00 0.00 C ATOM 50071 N7 G B2331 10.698 80.862 6.228 1.00 0.00 N ATOM 50072 C5 G B2331 10.524 81.899 5.307 1.00 0.00 C ATOM 50073 C6 G B2331 9.356 82.341 4.641 1.00 0.00 C ATOM 50074 O6 G B2331 8.210 81.904 4.718 1.00 0.00 O ATOM 50075 N1 G B2331 9.630 83.424 3.793 1.00 0.00 N ATOM 50076 C2 G B2331 10.870 84.005 3.616 1.00 0.00 C ATOM 50077 N2 G B2331 10.923 85.031 2.764 1.00 0.00 N ATOM 50078 N3 G B2331 11.967 83.589 4.246 1.00 0.00 N ATOM 50079 C4 G B2331 11.720 82.536 5.071 1.00 0.00 C ATOM 50080 P C B2332 14.717 84.791 9.966 1.00 0.00 P ATOM 50081 O1P C B2332 15.708 85.348 10.913 1.00 0.00 O ATOM 50082 O2P C B2332 13.592 84.048 10.575 1.00 0.00 O ATOM 50083 O5* C B2332 14.151 85.955 9.028 1.00 0.00 O ATOM 50084 C5* C B2332 15.080 86.751 8.265 1.00 0.00 C ATOM 50085 C4* C B2332 14.325 87.701 7.360 1.00 0.00 C ATOM 50086 O4* C B2332 13.633 86.930 6.335 1.00 0.00 O ATOM 50087 C3* C B2332 13.211 88.512 8.023 1.00 0.00 C ATOM 50088 O3* C B2332 13.710 89.659 8.638 1.00 0.00 O ATOM 50089 C2* C B2332 12.297 88.828 6.842 1.00 0.00 C ATOM 50090 O2* C B2332 12.845 89.863 6.044 1.00 0.00 O ATOM 50091 C1* C B2332 12.391 87.542 6.028 1.00 0.00 C ATOM 50092 N1 C B2332 11.308 86.563 6.329 1.00 0.00 N ATOM 50093 C2 C B2332 10.035 86.835 5.841 1.00 0.00 C ATOM 50094 O2 C B2332 9.853 87.867 5.185 1.00 0.00 O ATOM 50095 N3 C B2332 9.035 85.955 6.104 1.00 0.00 N ATOM 50096 C4 C B2332 9.269 84.847 6.819 1.00 0.00 C ATOM 50097 N4 C B2332 8.262 84.019 7.047 1.00 0.00 N ATOM 50098 C5 C B2332 10.575 84.549 7.329 1.00 0.00 C ATOM 50099 C6 C B2332 11.560 85.439 7.056 1.00 0.00 C ATOM 50100 P A B2333 12.531 91.067 9.039 1.00 0.00 P ATOM 50101 O1P A B2333 13.330 92.310 8.916 1.00 0.00 O ATOM 50102 O2P A B2333 11.883 90.841 10.353 1.00 0.00 O ATOM 50103 O5* A B2333 11.257 91.100 7.683 1.00 0.00 O ATOM 50104 C5* A B2333 10.308 92.077 7.083 1.00 0.00 C ATOM 50105 C4* A B2333 8.899 91.459 6.519 1.00 0.00 C ATOM 50106 O4* A B2333 8.516 90.240 7.217 1.00 0.00 O ATOM 50107 C3* A B2333 7.561 92.100 6.143 1.00 0.00 C ATOM 50108 O3* A B2333 7.436 93.112 4.946 1.00 0.00 O ATOM 50109 C2* A B2333 6.701 90.881 5.830 1.00 0.00 C ATOM 50110 O2* A B2333 7.025 90.348 4.558 1.00 0.00 O ATOM 50111 C1* A B2333 7.189 89.882 6.875 1.00 0.00 C ATOM 50112 N9 A B2333 6.268 89.836 8.289 1.00 0.00 N ATOM 50113 C8 A B2333 6.640 90.204 9.564 1.00 0.00 C ATOM 50114 N7 A B2333 5.795 89.864 10.483 1.00 0.00 N ATOM 50115 C5 A B2333 4.779 89.226 9.782 1.00 0.00 C ATOM 50116 C6 A B2333 3.573 88.630 10.188 1.00 0.00 C ATOM 50117 N6 A B2333 3.174 88.573 11.464 1.00 0.00 N ATOM 50118 N1 A B2333 2.794 88.085 9.231 1.00 0.00 N ATOM 50119 C2 A B2333 3.204 88.144 7.966 1.00 0.00 C ATOM 50120 N3 A B2333 4.300 88.673 7.466 1.00 0.00 N ATOM 50121 C4 A B2333 5.060 89.208 8.445 1.00 0.00 C ATOM 50122 P U B2334 5.715 93.494 4.340 1.00 0.00 P ATOM 50123 O1P U B2334 5.345 94.879 4.715 1.00 0.00 O ATOM 50124 O2P U B2334 4.763 92.437 4.759 1.00 0.00 O ATOM 50125 O5* U B2334 5.969 93.405 2.511 1.00 0.00 O ATOM 50126 C5* U B2334 5.873 93.674 1.064 1.00 0.00 C ATOM 50127 C4* U B2334 7.389 93.860 0.451 1.00 0.00 C ATOM 50128 O4* U B2334 8.264 93.437 1.534 1.00 0.00 O ATOM 50129 C3* U B2334 8.005 93.221 -0.794 1.00 0.00 C ATOM 50130 O3* U B2334 7.617 93.478 -2.274 1.00 0.00 O ATOM 50131 C2* U B2334 9.503 93.315 -0.488 1.00 0.00 C ATOM 50132 O2* U B2334 9.973 94.641 -0.691 1.00 0.00 O ATOM 50133 C1* U B2334 9.529 93.058 1.016 1.00 0.00 C ATOM 50134 N1 U B2334 9.821 91.451 1.451 1.00 0.00 N ATOM 50135 C2 U B2334 10.875 90.816 0.832 1.00 0.00 C ATOM 50136 O2 U B2334 11.566 91.356 -0.014 1.00 0.00 O ATOM 50137 N3 U B2334 11.097 89.515 1.233 1.00 0.00 N ATOM 50138 C4 U B2334 10.380 88.810 2.179 1.00 0.00 C ATOM 50139 O4 U B2334 10.680 87.649 2.457 1.00 0.00 O ATOM 50140 C5 U B2334 9.299 89.562 2.774 1.00 0.00 C ATOM 50141 C6 U B2334 9.057 90.830 2.403 1.00 0.00 C ATOM 50142 P A B2335 8.480 94.708 -3.385 1.00 0.00 P ATOM 50143 O1P A B2335 9.010 95.854 -2.608 1.00 0.00 O ATOM 50144 O2P A B2335 7.537 95.051 -4.470 1.00 0.00 O ATOM 50145 O5* A B2335 9.920 93.750 -4.065 1.00 0.00 O ATOM 50146 C5* A B2335 11.346 93.537 -4.508 1.00 0.00 C ATOM 50147 C4* A B2335 11.514 92.226 -5.542 1.00 0.00 C ATOM 50148 O4* A B2335 10.127 92.147 -5.983 1.00 0.00 O ATOM 50149 C3* A B2335 12.319 92.053 -6.830 1.00 0.00 C ATOM 50150 O3* A B2335 13.961 91.827 -6.956 1.00 0.00 O ATOM 50151 C2* A B2335 11.474 91.047 -7.608 1.00 0.00 C ATOM 50152 O2* A B2335 11.643 89.741 -7.091 1.00 0.00 O ATOM 50153 C1* A B2335 10.059 91.491 -7.240 1.00 0.00 C ATOM 50154 N9 A B2335 9.338 92.549 -8.355 1.00 0.00 N ATOM 50155 C8 A B2335 9.569 93.899 -8.530 1.00 0.00 C ATOM 50156 N7 A B2335 8.733 94.472 -9.337 1.00 0.00 N ATOM 50157 C5 A B2335 7.890 93.445 -9.736 1.00 0.00 C ATOM 50158 C6 A B2335 6.788 93.411 -10.601 1.00 0.00 C ATOM 50159 N6 A B2335 6.321 94.486 -11.255 1.00 0.00 N ATOM 50160 N1 A B2335 6.172 92.224 -10.777 1.00 0.00 N ATOM 50161 C2 A B2335 6.639 91.162 -10.127 1.00 0.00 C ATOM 50162 N3 A B2335 7.656 91.071 -9.296 1.00 0.00 N ATOM 50163 C4 A B2335 8.253 92.272 -9.142 1.00 0.00 C ATOM 50164 P A B2336 14.867 90.769 -8.240 1.00 0.00 P ATOM 50165 O1P A B2336 14.468 89.400 -7.840 1.00 0.00 O ATOM 50166 O2P A B2336 16.245 90.913 -8.760 1.00 0.00 O ATOM 50167 O5* A B2336 13.824 91.347 -9.303 1.00 0.00 O ATOM 50168 C5* A B2336 12.592 90.637 -9.531 1.00 0.00 C ATOM 50169 C4* A B2336 11.706 91.423 -10.476 1.00 0.00 C ATOM 50170 O4* A B2336 11.264 92.638 -9.806 1.00 0.00 O ATOM 50171 C3* A B2336 12.377 91.931 -11.753 1.00 0.00 C ATOM 50172 O3* A B2336 12.391 90.954 -12.745 1.00 0.00 O ATOM 50173 C2* A B2336 11.505 93.132 -12.117 1.00 0.00 C ATOM 50174 O2* A B2336 10.282 92.706 -12.691 1.00 0.00 O ATOM 50175 C1* A B2336 11.177 93.702 -10.740 1.00 0.00 C ATOM 50176 N9 A B2336 12.105 94.779 -10.303 1.00 0.00 N ATOM 50177 C8 A B2336 13.108 94.730 -9.358 1.00 0.00 C ATOM 50178 N7 A B2336 13.741 95.852 -9.207 1.00 0.00 N ATOM 50179 C5 A B2336 13.126 96.711 -10.108 1.00 0.00 C ATOM 50180 C6 A B2336 13.343 98.060 -10.430 1.00 0.00 C ATOM 50181 N6 A B2336 14.291 98.815 -9.853 1.00 0.00 N ATOM 50182 N1 A B2336 12.555 98.606 -11.371 1.00 0.00 N ATOM 50183 C2 A B2336 11.618 97.850 -11.942 1.00 0.00 C ATOM 50184 N3 A B2336 11.325 96.587 -11.724 1.00 0.00 N ATOM 50185 C4 A B2336 12.130 96.065 -10.779 1.00 0.00 C ATOM 50186 P G B2337 13.657 90.898 -13.775 1.00 0.00 P ATOM 50187 O1P G B2337 13.676 89.607 -14.495 1.00 0.00 O ATOM 50188 O2P G B2337 14.898 91.247 -13.045 1.00 0.00 O ATOM 50189 O5* G B2337 13.277 92.077 -14.786 1.00 0.00 O ATOM 50190 C5* G B2337 12.049 91.985 -15.534 1.00 0.00 C ATOM 50191 C4* G B2337 11.828 93.256 -16.328 1.00 0.00 C ATOM 50192 O4* G B2337 11.564 94.351 -15.401 1.00 0.00 O ATOM 50193 C3* G B2337 13.022 93.747 -17.147 1.00 0.00 C ATOM 50194 O3* G B2337 13.089 93.111 -18.385 1.00 0.00 O ATOM 50195 C2* G B2337 12.733 95.243 -17.269 1.00 0.00 C ATOM 50196 O2* G B2337 11.720 95.482 -18.226 1.00 0.00 O ATOM 50197 C1* G B2337 12.130 95.550 -15.902 1.00 0.00 C ATOM 50198 N9 G B2337 13.123 96.039 -14.905 1.00 0.00 N ATOM 50199 C8 G B2337 13.670 95.380 -13.826 1.00 0.00 C ATOM 50200 N7 G B2337 14.527 96.100 -13.139 1.00 0.00 N ATOM 50201 C5 G B2337 14.547 97.323 -13.810 1.00 0.00 C ATOM 50202 C6 G B2337 15.284 98.501 -13.540 1.00 0.00 C ATOM 50203 O6 G B2337 16.085 98.718 -12.632 1.00 0.00 O ATOM 50204 N1 G B2337 15.002 99.508 -14.473 1.00 0.00 N ATOM 50205 C2 G B2337 14.125 99.389 -15.533 1.00 0.00 C ATOM 50206 N2 G B2337 13.996 100.465 -16.312 1.00 0.00 N ATOM 50207 N3 G B2337 13.434 98.283 -15.787 1.00 0.00 N ATOM 50208 C4 G B2337 13.693 97.295 -14.890 1.00 0.00 C ATOM 50209 P C B2338 14.557 92.811 -19.034 1.00 0.00 P ATOM 50210 O1P C B2338 14.440 91.828 -20.133 1.00 0.00 O ATOM 50211 O2P C B2338 15.509 92.459 -17.956 1.00 0.00 O ATOM 50212 O5* C B2338 14.921 94.250 -19.629 1.00 0.00 O ATOM 50213 C5* C B2338 14.067 94.826 -20.635 1.00 0.00 C ATOM 50214 C4* C B2338 14.525 96.232 -20.960 1.00 0.00 C ATOM 50215 O4* C B2338 14.296 97.087 -19.806 1.00 0.00 O ATOM 50216 C3* C B2338 16.020 96.394 -21.247 1.00 0.00 C ATOM 50217 O3* C B2338 16.322 96.098 -22.575 1.00 0.00 O ATOM 50218 C2* C B2338 16.253 97.864 -20.905 1.00 0.00 C ATOM 50219 O2* C B2338 15.761 98.706 -21.933 1.00 0.00 O ATOM 50220 C1* C B2338 15.332 98.051 -19.703 1.00 0.00 C ATOM 50221 N1 C B2338 16.013 97.857 -18.391 1.00 0.00 N ATOM 50222 C2 C B2338 16.868 98.862 -17.951 1.00 0.00 C ATOM 50223 O2 C B2338 17.027 99.863 -18.658 1.00 0.00 O ATOM 50224 N3 C B2338 17.500 98.703 -16.759 1.00 0.00 N ATOM 50225 C4 C B2338 17.301 97.603 -16.021 1.00 0.00 C ATOM 50226 N4 C B2338 17.940 97.499 -14.866 1.00 0.00 N ATOM 50227 C5 C B2338 16.425 96.557 -16.458 1.00 0.00 C ATOM 50228 C6 C B2338 15.805 96.734 -17.651 1.00 0.00 C ATOM 50229 P C B2339 17.763 95.411 -22.916 1.00 0.00 P ATOM 50230 O1P C B2339 17.748 94.846 -24.286 1.00 0.00 O ATOM 50231 O2P C B2339 18.126 94.467 -21.837 1.00 0.00 O ATOM 50232 O5* C B2339 18.725 96.687 -22.868 1.00 0.00 O ATOM 50233 C5* C B2339 18.490 97.774 -23.781 1.00 0.00 C ATOM 50234 C4* C B2339 19.433 98.921 -23.478 1.00 0.00 C ATOM 50235 O4* C B2339 19.078 99.495 -22.186 1.00 0.00 O ATOM 50236 C3* C B2339 20.906 98.548 -23.324 1.00 0.00 C ATOM 50237 O3* C B2339 21.551 98.482 -24.557 1.00 0.00 O ATOM 50238 C2* C B2339 21.432 99.680 -22.443 1.00 0.00 C ATOM 50239 O2* C B2339 21.606 100.866 -23.201 1.00 0.00 O ATOM 50240 C1* C B2339 20.249 99.918 -21.509 1.00 0.00 C ATOM 50241 N1 C B2339 20.338 99.165 -20.227 1.00 0.00 N ATOM 50242 C2 C B2339 21.246 99.619 -19.272 1.00 0.00 C ATOM 50243 O2 C B2339 21.933 100.615 -19.525 1.00 0.00 O ATOM 50244 N3 C B2339 21.342 98.946 -18.096 1.00 0.00 N ATOM 50245 C4 C B2339 20.581 97.871 -17.861 1.00 0.00 C ATOM 50246 N4 C B2339 20.713 97.251 -16.695 1.00 0.00 N ATOM 50247 C5 C B2339 19.640 97.392 -18.829 1.00 0.00 C ATOM 50248 C6 C B2339 19.561 98.076 -19.996 1.00 0.00 C ATOM 50249 P A B2340 22.742 97.385 -24.762 1.00 0.00 P ATOM 50250 O1P A B2340 23.040 97.218 -26.202 1.00 0.00 O ATOM 50251 O2P A B2340 22.406 96.149 -24.023 1.00 0.00 O ATOM 50252 O5* A B2340 23.962 98.132 -24.044 1.00 0.00 O ATOM 50253 C5* A B2340 24.398 99.407 -24.548 1.00 0.00 C ATOM 50254 C4* A B2340 25.471 99.983 -23.647 1.00 0.00 C ATOM 50255 O4* A B2340 24.876 100.323 -22.360 1.00 0.00 O ATOM 50256 C3* A B2340 26.616 99.035 -23.284 1.00 0.00 C ATOM 50257 O3* A B2340 27.599 99.018 -24.272 1.00 0.00 O ATOM 50258 C2* A B2340 27.113 99.625 -21.965 1.00 0.00 C ATOM 50259 O2* A B2340 27.886 100.793 -22.198 1.00 0.00 O ATOM 50260 C1* A B2340 25.808 100.079 -21.321 1.00 0.00 C ATOM 50261 N9 A B2340 25.213 99.071 -20.400 1.00 0.00 N ATOM 50262 C8 A B2340 24.117 98.261 -20.590 1.00 0.00 C ATOM 50263 N7 A B2340 23.856 97.483 -19.583 1.00 0.00 N ATOM 50264 C5 A B2340 24.840 97.791 -18.656 1.00 0.00 C ATOM 50265 C6 A B2340 25.114 97.302 -17.370 1.00 0.00 C ATOM 50266 N6 A B2340 24.381 96.355 -16.766 1.00 0.00 N ATOM 50267 N1 A B2340 26.168 97.825 -16.721 1.00 0.00 N ATOM 50268 C2 A B2340 26.893 98.767 -17.325 1.00 0.00 C ATOM 50269 N3 A B2340 26.735 99.297 -18.517 1.00 0.00 N ATOM 50270 C4 A B2340 25.670 98.756 -19.146 1.00 0.00 C ATOM 50271 P G B2341 28.401 97.627 -24.555 1.00 0.00 P ATOM 50272 O1P G B2341 29.118 97.703 -25.846 1.00 0.00 O ATOM 50273 O2P G B2341 27.476 96.483 -24.397 1.00 0.00 O ATOM 50274 O5* G B2341 29.456 97.638 -23.350 1.00 0.00 O ATOM 50275 C5* G B2341 30.398 98.723 -23.259 1.00 0.00 C ATOM 50276 C4* G B2341 31.211 98.598 -21.985 1.00 0.00 C ATOM 50277 O4* G B2341 30.334 98.827 -20.844 1.00 0.00 O ATOM 50278 C3* G B2341 31.816 97.219 -21.715 1.00 0.00 C ATOM 50279 O3* G B2341 33.028 97.053 -22.379 1.00 0.00 O ATOM 50280 C2* G B2341 31.975 97.233 -20.195 1.00 0.00 C ATOM 50281 O2* G B2341 33.088 98.020 -19.813 1.00 0.00 O ATOM 50282 C1* G B2341 30.725 97.995 -19.764 1.00 0.00 C ATOM 50283 N9 G B2341 29.575 97.113 -19.422 1.00 0.00 N ATOM 50284 C8 G B2341 28.425 96.866 -20.139 1.00 0.00 C ATOM 50285 N7 G B2341 27.600 96.029 -19.552 1.00 0.00 N ATOM 50286 C5 G B2341 28.253 95.698 -18.366 1.00 0.00 C ATOM 50287 C6 G B2341 27.853 94.831 -17.317 1.00 0.00 C ATOM 50288 O6 G B2341 26.824 94.166 -17.214 1.00 0.00 O ATOM 50289 N1 G B2341 28.815 94.786 -16.298 1.00 0.00 N ATOM 50290 C2 G B2341 30.007 95.482 -16.294 1.00 0.00 C ATOM 50291 N2 G B2341 30.791 95.303 -15.231 1.00 0.00 N ATOM 50292 N3 G B2341 30.381 96.294 -17.281 1.00 0.00 N ATOM 50293 C4 G B2341 29.456 96.354 -18.278 1.00 0.00 C ATOM 50294 P C B2342 33.427 95.570 -22.929 1.00 0.00 P ATOM 50295 O1P C B2342 34.537 95.663 -23.904 1.00 0.00 O ATOM 50296 O2P C B2342 32.207 94.881 -23.408 1.00 0.00 O ATOM 50297 O5* C B2342 33.946 94.877 -21.582 1.00 0.00 O ATOM 50298 C5* C B2342 35.075 95.449 -20.895 1.00 0.00 C ATOM 50299 C4* C B2342 35.313 94.716 -19.591 1.00 0.00 C ATOM 50300 O4* C B2342 34.204 94.990 -18.686 1.00 0.00 O ATOM 50301 C3* C B2342 35.344 93.189 -19.681 1.00 0.00 C ATOM 50302 O3* C B2342 36.605 92.722 -20.050 1.00 0.00 O ATOM 50303 C2* C B2342 34.960 92.777 -18.261 1.00 0.00 C ATOM 50304 O2* C B2342 36.051 92.947 -17.375 1.00 0.00 O ATOM 50305 C1* C B2342 33.926 93.842 -17.902 1.00 0.00 C ATOM 50306 N1 C B2342 32.521 93.428 -18.176 1.00 0.00 N ATOM 50307 C2 C B2342 31.938 92.503 -17.317 1.00 0.00 C ATOM 50308 O2 C B2342 32.602 92.067 -16.370 1.00 0.00 O ATOM 50309 N3 C B2342 30.659 92.112 -17.549 1.00 0.00 N ATOM 50310 C4 C B2342 29.970 92.608 -18.585 1.00 0.00 C ATOM 50311 N4 C B2342 28.725 92.195 -18.769 1.00 0.00 N ATOM 50312 C5 C B2342 30.551 93.560 -19.482 1.00 0.00 C ATOM 50313 C6 C B2342 31.832 93.937 -19.233 1.00 0.00 C ATOM 50314 H5 C B2342 29.940 93.940 -20.318 1.00 0.00 H ATOM 50315 H6 C B2342 32.196 94.712 -19.900 1.00 0.00 H ATOM 50316 P U B2343 36.706 91.380 -20.973 1.00 0.00 P ATOM 50317 O1P U B2343 38.062 91.261 -21.559 1.00 0.00 O ATOM 50318 O2P U B2343 35.585 91.362 -21.940 1.00 0.00 O ATOM 50319 O5* U B2343 36.491 90.242 -19.869 1.00 0.00 O ATOM 50320 C5* U B2343 37.424 90.143 -18.778 1.00 0.00 C ATOM 50321 C4* U B2343 36.961 89.086 -17.796 1.00 0.00 C ATOM 50322 O4* U B2343 35.743 89.550 -17.145 1.00 0.00 O ATOM 50323 C3* U B2343 36.564 87.739 -18.401 1.00 0.00 C ATOM 50324 O3* U B2343 37.674 86.919 -18.598 1.00 0.00 O ATOM 50325 C2* U B2343 35.603 87.186 -17.350 1.00 0.00 C ATOM 50326 O2* U B2343 36.314 86.698 -16.228 1.00 0.00 O ATOM 50327 C1* U B2343 34.877 88.452 -16.901 1.00 0.00 C ATOM 50328 N1 U B2343 33.602 88.701 -17.630 1.00 0.00 N ATOM 50329 C2 U B2343 32.531 87.905 -17.306 1.00 0.00 C ATOM 50330 O2 U B2343 32.588 87.027 -16.464 1.00 0.00 O ATOM 50331 N3 U B2343 31.366 88.165 -18.001 1.00 0.00 N ATOM 50332 C4 U B2343 31.188 89.133 -18.970 1.00 0.00 C ATOM 50333 O4 U B2343 30.095 89.270 -19.525 1.00 0.00 O ATOM 50334 C5 U B2343 32.369 89.916 -19.243 1.00 0.00 C ATOM 50335 C6 U B2343 33.517 89.685 -18.581 1.00 0.00 C ATOM 50336 P U B2344 37.686 85.908 -19.879 1.00 0.00 P ATOM 50337 O1P U B2344 39.056 85.407 -20.124 1.00 0.00 O ATOM 50338 O2P U B2344 37.020 86.559 -21.028 1.00 0.00 O ATOM 50339 O5* U B2344 36.766 84.717 -19.327 1.00 0.00 O ATOM 50340 C5* U B2344 37.185 84.002 -18.150 1.00 0.00 C ATOM 50341 C4* U B2344 36.114 83.010 -17.739 1.00 0.00 C ATOM 50342 O4* U B2344 34.945 83.748 -17.279 1.00 0.00 O ATOM 50343 C3* U B2344 35.572 82.116 -18.852 1.00 0.00 C ATOM 50344 O3* U B2344 36.381 80.997 -19.050 1.00 0.00 O ATOM 50345 C2* U B2344 34.187 81.753 -18.324 1.00 0.00 C ATOM 50346 O2* U B2344 34.277 80.770 -17.305 1.00 0.00 O ATOM 50347 C1* U B2344 33.764 83.052 -17.648 1.00 0.00 C ATOM 50348 N1 U B2344 32.960 83.949 -18.525 1.00 0.00 N ATOM 50349 C2 U B2344 31.657 83.584 -18.766 1.00 0.00 C ATOM 50350 O2 U B2344 31.151 82.578 -18.294 1.00 0.00 O ATOM 50351 N3 U B2344 30.944 84.441 -19.582 1.00 0.00 N ATOM 50352 C4 U B2344 31.412 85.599 -20.167 1.00 0.00 C ATOM 50353 O4 U B2344 30.679 86.283 -20.882 1.00 0.00 O ATOM 50354 C5 U B2344 32.792 85.896 -19.858 1.00 0.00 C ATOM 50355 C6 U B2344 33.508 85.083 -19.066 1.00 0.00 C ATOM 50356 P G B2345 34.757 79.505 -18.795 1.00 0.00 P ATOM 50357 O1P G B2345 34.563 78.048 -18.605 1.00 0.00 O ATOM 50358 O2P G B2345 33.634 80.221 -19.441 1.00 0.00 O ATOM 50359 O5* G B2345 35.092 79.164 -16.877 1.00 0.00 O ATOM 50360 C5* G B2345 34.279 79.423 -15.678 1.00 0.00 C ATOM 50361 C4* G B2345 34.879 80.002 -14.263 1.00 0.00 C ATOM 50362 O4* G B2345 35.067 78.835 -13.414 1.00 0.00 O ATOM 50363 C3* G B2345 36.022 80.937 -13.865 1.00 0.00 C ATOM 50364 O3* G B2345 36.147 82.410 -14.277 1.00 0.00 O ATOM 50365 C2* G B2345 36.142 80.678 -12.365 1.00 0.00 C ATOM 50366 O2* G B2345 35.094 81.328 -11.660 1.00 0.00 O ATOM 50367 C1* G B2345 35.858 79.181 -12.290 1.00 0.00 C ATOM 50368 N9 G B2345 37.249 78.192 -12.287 1.00 0.00 N ATOM 50369 C8 G B2345 37.758 77.408 -13.296 1.00 0.00 C ATOM 50370 N7 G B2345 38.793 76.685 -12.941 1.00 0.00 N ATOM 50371 C5 G B2345 38.985 77.016 -11.597 1.00 0.00 C ATOM 50372 C6 G B2345 39.954 76.554 -10.672 1.00 0.00 C ATOM 50373 O6 G B2345 40.862 75.745 -10.849 1.00 0.00 O ATOM 50374 N1 G B2345 39.783 77.148 -9.413 1.00 0.00 N ATOM 50375 C2 G B2345 38.802 78.071 -9.092 1.00 0.00 C ATOM 50376 N2 G B2345 38.811 78.521 -7.839 1.00 0.00 N ATOM 50377 N3 G B2345 37.897 78.503 -9.964 1.00 0.00 N ATOM 50378 C4 G B2345 38.046 77.937 -11.190 1.00 0.00 C ATOM 50379 P A B2346 35.897 83.825 -13.093 1.00 0.00 P ATOM 50380 O1P A B2346 34.505 83.798 -12.588 1.00 0.00 O ATOM 50381 O2P A B2346 36.308 85.071 -13.773 1.00 0.00 O ATOM 50382 O5* A B2346 37.088 83.483 -11.711 1.00 0.00 O ATOM 50383 C5* A B2346 37.709 83.911 -10.425 1.00 0.00 C ATOM 50384 C4* A B2346 37.358 85.447 -9.942 1.00 0.00 C ATOM 50385 O4* A B2346 36.097 85.889 -10.525 1.00 0.00 O ATOM 50386 C3* A B2346 37.388 86.129 -8.572 1.00 0.00 C ATOM 50387 O3* A B2346 38.540 85.988 -7.477 1.00 0.00 O ATOM 50388 C2* A B2346 36.730 87.472 -8.870 1.00 0.00 C ATOM 50389 O2* A B2346 37.630 88.334 -9.544 1.00 0.00 O ATOM 50390 C1* A B2346 35.656 87.076 -9.885 1.00 0.00 C ATOM 50391 N9 A B2346 34.137 86.788 -9.223 1.00 0.00 N ATOM 50392 C8 A B2346 33.256 85.770 -9.516 1.00 0.00 C ATOM 50393 N7 A B2346 32.083 85.919 -8.981 1.00 0.00 N ATOM 50394 C5 A B2346 32.180 87.115 -8.285 1.00 0.00 C ATOM 50395 C6 A B2346 31.262 87.831 -7.500 1.00 0.00 C ATOM 50396 N6 A B2346 30.007 87.422 -7.276 1.00 0.00 N ATOM 50397 N1 A B2346 31.683 88.986 -6.954 1.00 0.00 N ATOM 50398 C2 A B2346 32.933 89.383 -7.181 1.00 0.00 C ATOM 50399 N3 A B2346 33.874 88.804 -7.894 1.00 0.00 N ATOM 50400 C4 A B2346 33.425 87.651 -8.431 1.00 0.00 C ATOM 50401 P C B2347 39.494 87.492 -6.887 1.00 0.00 P ATOM 50402 O1P C B2347 39.404 88.026 -5.508 1.00 0.00 O ATOM 50403 O2P C B2347 39.056 88.407 -7.962 1.00 0.00 O ATOM 50404 O5* C B2347 40.984 86.992 -7.175 1.00 0.00 O ATOM 50405 C5* C B2347 41.390 85.692 -6.704 1.00 0.00 C ATOM 50406 C4* C B2347 42.790 85.376 -7.194 1.00 0.00 C ATOM 50407 O4* C B2347 42.755 85.207 -8.641 1.00 0.00 O ATOM 50408 C3* C B2347 43.834 86.470 -6.977 1.00 0.00 C ATOM 50409 O3* C B2347 44.382 86.407 -5.697 1.00 0.00 O ATOM 50410 C2* C B2347 44.855 86.159 -8.069 1.00 0.00 C ATOM 50411 O2* C B2347 45.655 85.045 -7.709 1.00 0.00 O ATOM 50412 C1* C B2347 43.955 85.707 -9.213 1.00 0.00 C ATOM 50413 N1 C B2347 43.593 86.801 -10.160 1.00 0.00 N ATOM 50414 C2 C B2347 44.573 87.243 -11.042 1.00 0.00 C ATOM 50415 O2 C B2347 45.692 86.716 -11.007 1.00 0.00 O ATOM 50416 N3 C B2347 44.264 88.241 -11.913 1.00 0.00 N ATOM 50417 C4 C B2347 43.041 88.784 -11.919 1.00 0.00 C ATOM 50418 N4 C B2347 42.789 89.753 -12.786 1.00 0.00 N ATOM 50419 C5 C B2347 42.018 88.342 -11.018 1.00 0.00 C ATOM 50420 C6 C B2347 42.348 87.347 -10.156 1.00 0.00 C ATOM 50421 P U B2348 44.815 87.798 -4.957 1.00 0.00 P ATOM 50422 O1P U B2348 45.018 87.566 -3.511 1.00 0.00 O ATOM 50423 O2P U B2348 43.851 88.861 -5.311 1.00 0.00 O ATOM 50424 O5* U B2348 46.224 88.084 -5.663 1.00 0.00 O ATOM 50425 C5* U B2348 47.283 87.119 -5.524 1.00 0.00 C ATOM 50426 C4* U B2348 48.474 87.532 -6.368 1.00 0.00 C ATOM 50427 O4* U B2348 48.111 87.421 -7.777 1.00 0.00 O ATOM 50428 C3* U B2348 48.926 88.983 -6.215 1.00 0.00 C ATOM 50429 O3* U B2348 49.779 89.141 -5.126 1.00 0.00 O ATOM 50430 C2* U B2348 49.622 89.242 -7.550 1.00 0.00 C ATOM 50431 O2* U B2348 50.904 88.632 -7.576 1.00 0.00 O ATOM 50432 C1* U B2348 48.741 88.456 -8.515 1.00 0.00 C ATOM 50433 N1 U B2348 47.676 89.277 -9.156 1.00 0.00 N ATOM 50434 C2 U B2348 48.066 90.154 -10.140 1.00 0.00 C ATOM 50435 O2 U B2348 49.226 90.277 -10.497 1.00 0.00 O ATOM 50436 N3 U B2348 47.053 90.897 -10.708 1.00 0.00 N ATOM 50437 C4 U B2348 45.712 90.839 -10.386 1.00 0.00 C ATOM 50438 O4 U B2348 44.895 91.557 -10.968 1.00 0.00 O ATOM 50439 C5 U B2348 45.400 89.892 -9.341 1.00 0.00 C ATOM 50440 C6 U B2348 46.367 89.156 -8.769 1.00 0.00 C ATOM 50441 P G B2349 49.728 90.540 -4.287 1.00 0.00 P ATOM 50442 O1P G B2349 50.412 90.380 -2.983 1.00 0.00 O ATOM 50443 O2P G B2349 48.332 91.027 -4.226 1.00 0.00 O ATOM 50444 O5* G B2349 50.591 91.494 -5.237 1.00 0.00 O ATOM 50445 C5* G B2349 51.962 91.152 -5.510 1.00 0.00 C ATOM 50446 C4* G B2349 52.548 92.114 -6.524 1.00 0.00 C ATOM 50447 O4* G B2349 51.892 91.899 -7.808 1.00 0.00 O ATOM 50448 C3* G B2349 52.319 93.599 -6.240 1.00 0.00 C ATOM 50449 O3* G B2349 53.279 94.105 -5.363 1.00 0.00 O ATOM 50450 C2* G B2349 52.418 94.210 -7.636 1.00 0.00 C ATOM 50451 O2* G B2349 53.768 94.293 -8.056 1.00 0.00 O ATOM 50452 C1* G B2349 51.750 93.133 -8.490 1.00 0.00 C ATOM 50453 N9 G B2349 50.298 93.368 -8.721 1.00 0.00 N ATOM 50454 C8 G B2349 49.214 92.726 -8.167 1.00 0.00 C ATOM 50455 N7 G B2349 48.054 93.174 -8.583 1.00 0.00 N ATOM 50456 C5 G B2349 48.397 94.189 -9.480 1.00 0.00 C ATOM 50457 C6 G B2349 47.568 95.043 -10.251 1.00 0.00 C ATOM 50458 O6 G B2349 46.342 95.082 -10.307 1.00 0.00 O ATOM 50459 N1 G B2349 48.328 95.927 -11.026 1.00 0.00 N ATOM 50460 C2 G B2349 49.709 95.982 -11.053 1.00 0.00 C ATOM 50461 N2 G B2349 50.245 96.899 -11.859 1.00 0.00 N ATOM 50462 N3 G B2349 50.486 95.182 -10.327 1.00 0.00 N ATOM 50463 C4 G B2349 49.762 94.314 -9.568 1.00 0.00 C ATOM 50464 P C B2350 52.841 95.276 -4.315 1.00 0.00 P ATOM 50465 O1P C B2350 53.862 95.415 -3.250 1.00 0.00 O ATOM 50466 O2P C B2350 51.458 95.031 -3.853 1.00 0.00 O ATOM 50467 O5* C B2350 52.876 96.562 -5.267 1.00 0.00 O ATOM 50468 C5* C B2350 54.114 96.928 -5.900 1.00 0.00 C ATOM 50469 C4* C B2350 53.890 98.090 -6.846 1.00 0.00 C ATOM 50470 O4* C B2350 53.070 97.638 -7.964 1.00 0.00 O ATOM 50471 C3* C B2350 53.108 99.274 -6.275 1.00 0.00 C ATOM 50472 O3* C B2350 53.938 100.144 -5.570 1.00 0.00 O ATOM 50473 C2* C B2350 52.521 99.907 -7.534 1.00 0.00 C ATOM 50474 O2* C B2350 53.510 100.642 -8.233 1.00 0.00 O ATOM 50475 C1* C B2350 52.199 98.678 -8.377 1.00 0.00 C ATOM 50476 N1 C B2350 50.800 98.196 -8.224 1.00 0.00 N ATOM 50477 C2 C B2350 49.790 98.934 -8.832 1.00 0.00 C ATOM 50478 O2 C B2350 50.091 99.952 -9.468 1.00 0.00 O ATOM 50479 N3 C B2350 48.505 98.513 -8.705 1.00 0.00 N ATOM 50480 C4 C B2350 48.217 97.406 -8.008 1.00 0.00 C ATOM 50481 N4 C B2350 46.947 97.034 -7.914 1.00 0.00 N ATOM 50482 C5 C B2350 49.241 96.632 -7.375 1.00 0.00 C ATOM 50483 C6 C B2350 50.517 97.071 -7.514 1.00 0.00 C ATOM 50484 P G B2351 55.588 99.813 -4.857 1.00 0.00 P ATOM 50485 O1P G B2351 56.586 100.773 -5.389 1.00 0.00 O ATOM 50486 O2P G B2351 56.010 98.395 -4.838 1.00 0.00 O ATOM 50487 O5* G B2351 54.905 100.305 -3.245 1.00 0.00 O ATOM 50488 C5* G B2351 53.658 99.702 -2.851 1.00 0.00 C ATOM 50489 C4* G B2351 52.738 100.594 -1.874 1.00 0.00 C ATOM 50490 O4* G B2351 53.017 100.572 -0.443 1.00 0.00 O ATOM 50491 C3* G B2351 52.264 102.029 -2.133 1.00 0.00 C ATOM 50492 O3* G B2351 51.530 102.289 -3.456 1.00 0.00 O ATOM 50493 C2* G B2351 51.481 102.339 -0.858 1.00 0.00 C ATOM 50494 O2* G B2351 50.213 101.705 -0.875 1.00 0.00 O ATOM 50495 C1* G B2351 52.321 101.629 0.201 1.00 0.00 C ATOM 50496 N9 G B2351 53.492 102.649 1.006 1.00 0.00 N ATOM 50497 C8 G B2351 53.388 103.306 2.210 1.00 0.00 C ATOM 50498 N7 G B2351 54.484 103.933 2.572 1.00 0.00 N ATOM 50499 C5 G B2351 55.372 103.671 1.531 1.00 0.00 C ATOM 50500 C6 G B2351 56.718 104.084 1.355 1.00 0.00 C ATOM 50501 O6 G B2351 57.414 104.778 2.090 1.00 0.00 O ATOM 50502 N1 G B2351 57.252 103.593 0.153 1.00 0.00 N ATOM 50503 C2 G B2351 56.572 102.807 -0.758 1.00 0.00 C ATOM 50504 N2 G B2351 57.256 102.437 -1.840 1.00 0.00 N ATOM 50505 N3 G B2351 55.306 102.421 -0.588 1.00 0.00 N ATOM 50506 C4 G B2351 54.779 102.889 0.570 1.00 0.00 C ATOM 50507 P A B2352 52.461 102.903 -4.902 1.00 0.00 P ATOM 50508 O1P A B2352 53.857 102.410 -4.887 1.00 0.00 O ATOM 50509 O2P A B2352 52.295 104.351 -5.173 1.00 0.00 O ATOM 50510 O5* A B2352 51.316 101.969 -5.965 1.00 0.00 O ATOM 50511 C5* A B2352 49.956 102.157 -6.422 1.00 0.00 C ATOM 50512 C4* A B2352 48.794 101.623 -5.400 1.00 0.00 C ATOM 50513 O4* A B2352 48.545 100.188 -5.416 1.00 0.00 O ATOM 50514 C3* A B2352 48.800 101.978 -3.911 1.00 0.00 C ATOM 50515 O3* A B2352 48.413 103.430 -3.670 1.00 0.00 O ATOM 50516 C2* A B2352 47.723 101.046 -3.357 1.00 0.00 C ATOM 50517 O2* A B2352 46.428 101.526 -3.675 1.00 0.00 O ATOM 50518 C1* A B2352 47.944 99.788 -4.194 1.00 0.00 C ATOM 50519 N9 A B2352 48.920 98.644 -3.482 1.00 0.00 N ATOM 50520 C8 A B2352 49.816 97.788 -4.085 1.00 0.00 C ATOM 50521 N7 A B2352 50.308 96.893 -3.291 1.00 0.00 N ATOM 50522 C5 A B2352 49.708 97.166 -2.068 1.00 0.00 C ATOM 50523 C6 A B2352 49.820 96.568 -0.801 1.00 0.00 C ATOM 50524 N6 A B2352 50.613 95.513 -0.548 1.00 0.00 N ATOM 50525 N1 A B2352 49.078 97.091 0.196 1.00 0.00 N ATOM 50526 C2 A B2352 48.298 98.134 -0.058 1.00 0.00 C ATOM 50527 N3 A B2352 48.114 98.772 -1.195 1.00 0.00 N ATOM 50528 C4 A B2352 48.861 98.232 -2.177 1.00 0.00 C ATOM 50529 P G B2353 49.451 104.650 -2.867 1.00 0.00 P ATOM 50530 O1P G B2353 50.885 104.770 -3.213 1.00 0.00 O ATOM 50531 O2P G B2353 49.116 104.828 -1.437 1.00 0.00 O ATOM 50532 O5* G B2353 48.592 105.666 -3.758 1.00 0.00 O ATOM 50533 C5* G B2353 49.263 106.459 -4.754 1.00 0.00 C ATOM 50534 C4* G B2353 48.247 107.250 -5.555 1.00 0.00 C ATOM 50535 O4* G B2353 47.452 106.325 -6.351 1.00 0.00 O ATOM 50536 C3* G B2353 47.210 108.021 -4.739 1.00 0.00 C ATOM 50537 O3* G B2353 47.697 109.262 -4.331 1.00 0.00 O ATOM 50538 C2* G B2353 46.051 108.141 -5.727 1.00 0.00 C ATOM 50539 O2* G B2353 46.321 109.135 -6.701 1.00 0.00 O ATOM 50540 C1* G B2353 46.116 106.794 -6.442 1.00 0.00 C ATOM 50541 N9 G B2353 45.224 105.759 -5.847 1.00 0.00 N ATOM 50542 C8 G B2353 45.551 104.667 -5.077 1.00 0.00 C ATOM 50543 N7 G B2353 44.518 103.946 -4.709 1.00 0.00 N ATOM 50544 C5 G B2353 43.432 104.605 -5.280 1.00 0.00 C ATOM 50545 C6 G B2353 42.048 104.299 -5.232 1.00 0.00 C ATOM 50546 O6 G B2353 41.486 103.363 -4.668 1.00 0.00 O ATOM 50547 N1 G B2353 41.292 105.233 -5.948 1.00 0.00 N ATOM 50548 C2 G B2353 41.803 106.327 -6.623 1.00 0.00 C ATOM 50549 N2 G B2353 40.914 107.101 -7.246 1.00 0.00 N ATOM 50550 N3 G B2353 43.102 106.614 -6.667 1.00 0.00 N ATOM 50551 C4 G B2353 43.852 105.714 -5.977 1.00 0.00 C ATOM 50552 P C B2354 47.217 109.858 -2.890 1.00 0.00 P ATOM 50553 O1P C B2354 48.102 110.969 -2.475 1.00 0.00 O ATOM 50554 O2P C B2354 47.078 108.748 -1.920 1.00 0.00 O ATOM 50555 O5* C B2354 45.772 110.431 -3.269 1.00 0.00 O ATOM 50556 C5* C B2354 45.671 111.461 -4.269 1.00 0.00 C ATOM 50557 C4* C B2354 44.215 111.760 -4.558 1.00 0.00 C ATOM 50558 O4* C B2354 43.616 110.604 -5.215 1.00 0.00 O ATOM 50559 C3* C B2354 43.325 111.992 -3.336 1.00 0.00 C ATOM 50560 O3* C B2354 43.401 113.308 -2.889 1.00 0.00 O ATOM 50561 C2* C B2354 41.943 111.628 -3.873 1.00 0.00 C ATOM 50562 O2* C B2354 41.429 112.669 -4.687 1.00 0.00 O ATOM 50563 C1* C B2354 42.267 110.460 -4.795 1.00 0.00 C ATOM 50564 N1 C B2354 42.130 109.125 -4.146 1.00 0.00 N ATOM 50565 C2 C B2354 40.845 108.648 -3.913 1.00 0.00 C ATOM 50566 O2 C B2354 39.877 109.341 -4.253 1.00 0.00 O ATOM 50567 N3 C B2354 40.698 107.432 -3.320 1.00 0.00 N ATOM 50568 C4 C B2354 41.769 106.712 -2.966 1.00 0.00 C ATOM 50569 N4 C B2354 41.573 105.536 -2.392 1.00 0.00 N ATOM 50570 C5 C B2354 43.100 107.187 -3.197 1.00 0.00 C ATOM 50571 C6 C B2354 43.225 108.403 -3.790 1.00 0.00 C ATOM 50572 P G B2355 43.277 113.604 -1.288 1.00 0.00 P ATOM 50573 O1P G B2355 43.742 114.975 -0.984 1.00 0.00 O ATOM 50574 O2P G B2355 43.942 112.514 -0.535 1.00 0.00 O ATOM 50575 O5* G B2355 41.692 113.510 -1.088 1.00 0.00 O ATOM 50576 C5* G B2355 40.844 114.423 -1.805 1.00 0.00 C ATOM 50577 C4* G B2355 39.387 114.078 -1.565 1.00 0.00 C ATOM 50578 O4* G B2355 39.098 112.795 -2.190 1.00 0.00 O ATOM 50579 C3* G B2355 38.986 113.869 -0.104 1.00 0.00 C ATOM 50580 O3* G B2355 38.693 115.081 0.523 1.00 0.00 O ATOM 50581 C2* G B2355 37.763 112.965 -0.233 1.00 0.00 C ATOM 50582 O2* G B2355 36.630 113.707 -0.649 1.00 0.00 O ATOM 50583 C1* G B2355 38.165 112.073 -1.403 1.00 0.00 C ATOM 50584 N9 G B2355 38.804 110.795 -0.989 1.00 0.00 N ATOM 50585 C8 G B2355 40.130 110.420 -1.056 1.00 0.00 C ATOM 50586 N7 G B2355 40.367 109.212 -0.604 1.00 0.00 N ATOM 50587 C5 G B2355 39.111 108.752 -0.211 1.00 0.00 C ATOM 50588 C6 G B2355 38.729 107.510 0.356 1.00 0.00 C ATOM 50589 O6 G B2355 39.432 106.542 0.634 1.00 0.00 O ATOM 50590 N1 G B2355 37.350 107.462 0.603 1.00 0.00 N ATOM 50591 C2 G B2355 36.457 108.480 0.335 1.00 0.00 C ATOM 50592 N2 G B2355 35.181 108.238 0.644 1.00 0.00 N ATOM 50593 N3 G B2355 36.816 109.647 -0.196 1.00 0.00 N ATOM 50594 C4 G B2355 38.152 109.711 -0.442 1.00 0.00 C ATOM 50595 P U B2356 38.317 115.094 2.325 1.00 0.00 P ATOM 50596 O1P U B2356 38.225 116.493 2.801 1.00 0.00 O ATOM 50597 O2P U B2356 39.228 114.215 3.091 1.00 0.00 O ATOM 50598 O5* U B2356 36.644 114.367 2.174 1.00 0.00 O ATOM 50599 C5* U B2356 35.417 114.169 2.922 1.00 0.00 C ATOM 50600 C4* U B2356 34.637 115.555 3.265 1.00 0.00 C ATOM 50601 O4* U B2356 34.182 116.363 2.142 1.00 0.00 O ATOM 50602 C3* U B2356 33.563 115.770 4.333 1.00 0.00 C ATOM 50603 O3* U B2356 33.925 115.472 5.775 1.00 0.00 O ATOM 50604 C2* U B2356 33.187 117.236 4.117 1.00 0.00 C ATOM 50605 O2* U B2356 34.179 118.094 4.656 1.00 0.00 O ATOM 50606 C1* U B2356 33.275 117.355 2.597 1.00 0.00 C ATOM 50607 N1 U B2356 31.811 117.146 1.790 1.00 0.00 N ATOM 50608 C2 U B2356 30.890 118.155 1.900 1.00 0.00 C ATOM 50609 O2 U B2356 31.064 119.137 2.598 1.00 0.00 O ATOM 50610 N3 U B2356 29.734 117.989 1.162 1.00 0.00 N ATOM 50611 C4 U B2356 29.436 116.917 0.339 1.00 0.00 C ATOM 50612 O4 U B2356 28.371 116.879 -0.270 1.00 0.00 O ATOM 50613 C5 U B2356 30.467 115.910 0.292 1.00 0.00 C ATOM 50614 C6 U B2356 31.595 116.049 1.001 1.00 0.00 C ATOM 50615 P G B2357 33.195 113.916 6.358 1.00 0.00 P ATOM 50616 O1P G B2357 33.493 113.719 7.791 1.00 0.00 O ATOM 50617 O2P G B2357 33.523 112.778 5.467 1.00 0.00 O ATOM 50618 O5* G B2357 31.476 114.530 6.089 1.00 0.00 O ATOM 50619 C5* G B2357 29.994 114.476 6.115 1.00 0.00 C ATOM 50620 C4* G B2357 29.357 113.454 5.017 1.00 0.00 C ATOM 50621 O4* G B2357 30.321 113.263 3.941 1.00 0.00 O ATOM 50622 C3* G B2357 28.698 112.081 5.172 1.00 0.00 C ATOM 50623 O3* G B2357 28.396 111.126 6.308 1.00 0.00 O ATOM 50624 C2* G B2357 28.643 111.592 3.729 1.00 0.00 C ATOM 50625 O2* G B2357 27.600 112.230 3.017 1.00 0.00 O ATOM 50626 C1* G B2357 29.962 112.127 3.170 1.00 0.00 C ATOM 50627 N9 G B2357 31.232 111.036 3.216 1.00 0.00 N ATOM 50628 C8 G B2357 32.334 111.021 4.046 1.00 0.00 C ATOM 50629 N7 G B2357 33.072 109.943 3.928 1.00 0.00 N ATOM 50630 C5 G B2357 32.412 109.192 2.956 1.00 0.00 C ATOM 50631 C6 G B2357 32.740 107.928 2.401 1.00 0.00 C ATOM 50632 O6 G B2357 33.690 107.194 2.663 1.00 0.00 O ATOM 50633 N1 G B2357 31.800 107.536 1.439 1.00 0.00 N ATOM 50634 C2 G B2357 30.691 108.265 1.064 1.00 0.00 C ATOM 50635 N2 G B2357 29.915 107.717 0.123 1.00 0.00 N ATOM 50636 N3 G B2357 30.388 109.450 1.579 1.00 0.00 N ATOM 50637 C4 G B2357 31.288 109.849 2.514 1.00 0.00 C ATOM 50638 P A B2358 27.260 109.769 5.772 1.00 0.00 P ATOM 50639 O1P A B2358 26.293 110.172 4.729 1.00 0.00 O ATOM 50640 O2P A B2358 26.679 109.161 6.990 1.00 0.00 O ATOM 50641 O5* A B2358 28.572 108.725 5.036 1.00 0.00 O ATOM 50642 C5* A B2358 29.092 107.386 4.837 1.00 0.00 C ATOM 50643 C4* A B2358 29.350 106.599 6.249 1.00 0.00 C ATOM 50644 O4* A B2358 30.592 106.915 6.941 1.00 0.00 O ATOM 50645 C3* A B2358 28.284 106.697 7.338 1.00 0.00 C ATOM 50646 O3* A B2358 26.859 106.239 7.077 1.00 0.00 O ATOM 50647 C2* A B2358 29.029 106.158 8.561 1.00 0.00 C ATOM 50648 O2* A B2358 29.130 104.748 8.510 1.00 0.00 O ATOM 50649 C1* A B2358 30.430 106.713 8.337 1.00 0.00 C ATOM 50650 N9 A B2358 30.738 108.150 9.112 1.00 0.00 N ATOM 50651 C8 A B2358 31.460 109.229 8.658 1.00 0.00 C ATOM 50652 N7 A B2358 31.386 110.277 9.421 1.00 0.00 N ATOM 50653 C5 A B2358 30.555 109.872 10.459 1.00 0.00 C ATOM 50654 C6 A B2358 30.081 110.531 11.605 1.00 0.00 C ATOM 50655 N6 A B2358 30.391 111.801 11.908 1.00 0.00 N ATOM 50656 N1 A B2358 29.273 109.842 12.426 1.00 0.00 N ATOM 50657 C2 A B2358 28.972 108.582 12.120 1.00 0.00 C ATOM 50658 N3 A B2358 29.350 107.864 11.089 1.00 0.00 N ATOM 50659 C4 A B2358 30.159 108.579 10.275 1.00 0.00 C ATOM 50660 P C B2359 26.609 104.801 5.989 1.00 0.00 P ATOM 50661 O1P C B2359 26.235 103.618 6.793 1.00 0.00 O ATOM 50662 O2P C B2359 27.677 104.582 4.987 1.00 0.00 O ATOM 50663 O5* C B2359 25.109 105.526 5.286 1.00 0.00 O ATOM 50664 C5* C B2359 24.221 105.309 4.204 1.00 0.00 C ATOM 50665 C4* C B2359 23.690 103.782 4.033 1.00 0.00 C ATOM 50666 O4* C B2359 22.975 103.150 5.137 1.00 0.00 O ATOM 50667 C3* C B2359 22.844 103.442 2.804 1.00 0.00 C ATOM 50668 O3* C B2359 23.623 103.627 1.508 1.00 0.00 O ATOM 50669 C2* C B2359 22.359 102.031 3.133 1.00 0.00 C ATOM 50670 O2* C B2359 23.393 101.081 2.932 1.00 0.00 O ATOM 50671 C1* C B2359 22.130 102.127 4.638 1.00 0.00 C ATOM 50672 N1 C B2359 20.530 102.486 5.091 1.00 0.00 N ATOM 50673 C2 C B2359 19.529 101.619 4.673 1.00 0.00 C ATOM 50674 O2 C B2359 19.838 100.641 3.980 1.00 0.00 O ATOM 50675 N3 C B2359 18.245 101.877 5.041 1.00 0.00 N ATOM 50676 C4 C B2359 17.951 102.943 5.787 1.00 0.00 C ATOM 50677 N4 C B2359 16.684 103.149 6.117 1.00 0.00 N ATOM 50678 C5 C B2359 18.970 103.853 6.231 1.00 0.00 C ATOM 50679 C6 C B2359 20.243 103.578 5.855 1.00 0.00 C ATOM 50680 P G B2360 25.349 102.973 1.410 1.00 0.00 P ATOM 50681 O1P G B2360 26.291 104.037 0.993 1.00 0.00 O ATOM 50682 O2P G B2360 25.323 101.766 0.550 1.00 0.00 O ATOM 50683 O5* G B2360 25.683 102.452 3.141 1.00 0.00 O ATOM 50684 C5* G B2360 27.020 102.063 3.421 1.00 0.00 C ATOM 50685 C4* G B2360 27.267 100.582 4.075 1.00 0.00 C ATOM 50686 O4* G B2360 28.238 100.931 5.103 1.00 0.00 O ATOM 50687 C3* G B2360 26.245 99.716 4.813 1.00 0.00 C ATOM 50688 O3* G B2360 25.544 98.680 3.970 1.00 0.00 O ATOM 50689 C2* G B2360 27.131 98.945 5.790 1.00 0.00 C ATOM 50690 O2* G B2360 27.834 97.909 5.126 1.00 0.00 O ATOM 50691 C1* G B2360 28.164 100.004 6.174 1.00 0.00 C ATOM 50692 N9 G B2360 27.829 100.804 7.505 1.00 0.00 N ATOM 50693 C8 G B2360 26.933 101.830 7.700 1.00 0.00 C ATOM 50694 N7 G B2360 26.965 102.348 8.904 1.00 0.00 N ATOM 50695 C5 G B2360 27.955 101.612 9.551 1.00 0.00 C ATOM 50696 C6 G B2360 28.440 101.707 10.882 1.00 0.00 C ATOM 50697 O6 G B2360 28.095 102.476 11.774 1.00 0.00 O ATOM 50698 N1 G B2360 29.446 100.763 11.130 1.00 0.00 N ATOM 50699 C2 G B2360 29.922 99.851 10.210 1.00 0.00 C ATOM 50700 N2 G B2360 30.888 99.033 10.643 1.00 0.00 N ATOM 50701 N3 G B2360 29.465 99.758 8.965 1.00 0.00 N ATOM 50702 C4 G B2360 28.488 100.667 8.708 1.00 0.00 C ATOM 50703 P G B2361 26.592 97.722 2.732 1.00 0.00 P ATOM 50704 O1P G B2361 26.164 98.289 1.431 1.00 0.00 O ATOM 50705 O2P G B2361 26.349 96.271 2.912 1.00 0.00 O ATOM 50706 O5* G B2361 28.431 97.973 2.999 1.00 0.00 O ATOM 50707 C5* G B2361 29.916 98.096 2.953 1.00 0.00 C ATOM 50708 C4* G B2361 30.942 96.929 2.349 1.00 0.00 C ATOM 50709 O4* G B2361 30.488 96.167 1.192 1.00 0.00 O ATOM 50710 C3* G B2361 32.424 97.186 2.053 1.00 0.00 C ATOM 50711 O3* G B2361 33.236 97.441 3.395 1.00 0.00 O ATOM 50712 C2* G B2361 32.844 95.888 1.357 1.00 0.00 C ATOM 50713 O2* G B2361 33.004 94.843 2.297 1.00 0.00 O ATOM 50714 C1* G B2361 31.592 95.568 0.539 1.00 0.00 C ATOM 50715 N9 G B2361 31.634 96.143 -1.119 1.00 0.00 N ATOM 50716 C8 G B2361 30.646 96.771 -1.845 1.00 0.00 C ATOM 50717 N7 G B2361 30.969 96.991 -3.100 1.00 0.00 N ATOM 50718 C5 G B2361 32.258 96.470 -3.211 1.00 0.00 C ATOM 50719 C6 G B2361 33.128 96.410 -4.329 1.00 0.00 C ATOM 50720 O6 G B2361 32.942 96.819 -5.471 1.00 0.00 O ATOM 50721 N1 G B2361 34.346 95.799 -3.998 1.00 0.00 N ATOM 50722 C2 G B2361 34.675 95.304 -2.753 1.00 0.00 C ATOM 50723 N2 G B2361 35.888 94.752 -2.640 1.00 0.00 N ATOM 50724 N3 G B2361 33.857 95.356 -1.703 1.00 0.00 N ATOM 50725 C4 G B2361 32.670 95.948 -2.006 1.00 0.00 C ATOM 50726 P C B2362 34.772 98.441 3.453 1.00 0.00 P ATOM 50727 O1P C B2362 35.757 97.934 2.472 1.00 0.00 O ATOM 50728 O2P C B2362 35.307 98.757 4.796 1.00 0.00 O ATOM 50729 O5* C B2362 34.022 99.720 2.855 1.00 0.00 O ATOM 50730 C5* C B2362 32.641 99.941 3.197 1.00 0.00 C ATOM 50731 C4* C B2362 32.169 101.263 2.629 1.00 0.00 C ATOM 50732 O4* C B2362 32.855 102.344 3.323 1.00 0.00 O ATOM 50733 C3* C B2362 32.495 101.510 1.154 1.00 0.00 C ATOM 50734 O3* C B2362 31.542 100.931 0.319 1.00 0.00 O ATOM 50735 C2* C B2362 32.498 103.035 1.078 1.00 0.00 C ATOM 50736 O2* C B2362 31.174 103.541 1.079 1.00 0.00 O ATOM 50737 C1* C B2362 33.116 103.409 2.421 1.00 0.00 C ATOM 50738 N1 C B2362 34.590 103.616 2.364 1.00 0.00 N ATOM 50739 C2 C B2362 35.059 104.782 1.769 1.00 0.00 C ATOM 50740 O2 C B2362 34.243 105.591 1.316 1.00 0.00 O ATOM 50741 N3 C B2362 36.399 104.989 1.707 1.00 0.00 N ATOM 50742 C4 C B2362 37.254 104.087 2.212 1.00 0.00 C ATOM 50743 N4 C B2362 38.553 104.336 2.127 1.00 0.00 N ATOM 50744 C5 C B2362 36.791 102.880 2.826 1.00 0.00 C ATOM 50745 C6 C B2362 35.448 102.692 2.878 1.00 0.00 C ATOM 50746 P G B2363 32.021 100.337 -1.124 1.00 0.00 P ATOM 50747 O1P G B2363 30.973 99.456 -1.689 1.00 0.00 O ATOM 50748 O2P G B2363 33.364 99.730 -0.985 1.00 0.00 O ATOM 50749 O5* G B2363 32.121 101.679 -1.986 1.00 0.00 O ATOM 50750 C5* G B2363 30.937 102.480 -2.172 1.00 0.00 C ATOM 50751 C4* G B2363 31.288 103.761 -2.906 1.00 0.00 C ATOM 50752 O4* G B2363 32.113 104.588 -2.038 1.00 0.00 O ATOM 50753 C3* G B2363 32.131 103.594 -4.169 1.00 0.00 C ATOM 50754 O3* G B2363 31.338 103.297 -5.277 1.00 0.00 O ATOM 50755 C2* G B2363 32.811 104.956 -4.281 1.00 0.00 C ATOM 50756 O2* G B2363 31.908 105.931 -4.770 1.00 0.00 O ATOM 50757 C1* G B2363 33.073 105.288 -2.815 1.00 0.00 C ATOM 50758 N9 G B2363 34.428 104.888 -2.343 1.00 0.00 N ATOM 50759 C8 G B2363 34.789 103.838 -1.526 1.00 0.00 C ATOM 50760 N7 G B2363 36.079 103.760 -1.300 1.00 0.00 N ATOM 50761 C5 G B2363 36.608 104.832 -2.015 1.00 0.00 C ATOM 50762 C6 G B2363 37.951 105.264 -2.155 1.00 0.00 C ATOM 50763 O6 G B2363 38.970 104.782 -1.666 1.00 0.00 O ATOM 50764 N1 G B2363 38.043 106.398 -2.973 1.00 0.00 N ATOM 50765 C2 G B2363 36.977 107.032 -3.579 1.00 0.00 C ATOM 50766 N2 G B2363 37.272 108.098 -4.323 1.00 0.00 N ATOM 50767 N3 G B2363 35.716 106.626 -3.447 1.00 0.00 N ATOM 50768 C4 G B2363 35.609 105.525 -2.655 1.00 0.00 C ATOM 50769 P C B2364 31.943 102.316 -6.435 1.00 0.00 P ATOM 50770 O1P C B2364 30.855 101.833 -7.314 1.00 0.00 O ATOM 50771 O2P C B2364 32.777 101.268 -5.805 1.00 0.00 O ATOM 50772 O5* C B2364 32.875 103.340 -7.236 1.00 0.00 O ATOM 50773 C5* C B2364 32.275 104.491 -7.856 1.00 0.00 C ATOM 50774 C4* C B2364 33.348 105.380 -8.449 1.00 0.00 C ATOM 50775 O4* C B2364 34.132 105.961 -7.368 1.00 0.00 O ATOM 50776 C3* C B2364 34.388 104.677 -9.322 1.00 0.00 C ATOM 50777 O3* C B2364 33.940 104.522 -10.630 1.00 0.00 O ATOM 50778 C2* C B2364 35.586 105.620 -9.215 1.00 0.00 C ATOM 50779 O2* C B2364 35.392 106.768 -10.022 1.00 0.00 O ATOM 50780 C1* C B2364 35.490 106.078 -7.764 1.00 0.00 C ATOM 50781 N1 C B2364 36.316 105.268 -6.825 1.00 0.00 N ATOM 50782 C2 C B2364 37.694 105.459 -6.845 1.00 0.00 C ATOM 50783 O2 C B2364 38.171 106.284 -7.631 1.00 0.00 O ATOM 50784 N3 C B2364 38.464 104.730 -5.997 1.00 0.00 N ATOM 50785 C4 C B2364 37.911 103.847 -5.159 1.00 0.00 C ATOM 50786 N4 C B2364 38.707 103.161 -4.352 1.00 0.00 N ATOM 50787 C5 C B2364 36.495 103.635 -5.123 1.00 0.00 C ATOM 50788 C6 C B2364 35.741 104.371 -5.978 1.00 0.00 C ATOM 50789 P G B2365 33.716 103.022 -11.693 1.00 0.00 P ATOM 50790 O1P G B2365 32.338 102.497 -11.553 1.00 0.00 O ATOM 50791 O2P G B2365 34.802 102.039 -11.508 1.00 0.00 O ATOM 50792 O5* G B2365 33.903 103.900 -13.333 1.00 0.00 O ATOM 50793 C5* G B2365 33.905 104.418 -14.749 1.00 0.00 C ATOM 50794 C4* G B2365 34.424 105.936 -15.303 1.00 0.00 C ATOM 50795 O4* G B2365 33.482 107.030 -15.490 1.00 0.00 O ATOM 50796 C3* G B2365 35.596 106.293 -16.209 1.00 0.00 C ATOM 50797 O3* G B2365 37.135 106.423 -15.998 1.00 0.00 O ATOM 50798 C2* G B2365 34.891 106.933 -17.406 1.00 0.00 C ATOM 50799 O2* G B2365 34.297 105.947 -18.229 1.00 0.00 O ATOM 50800 C1* G B2365 33.757 107.690 -16.718 1.00 0.00 C ATOM 50801 N9 G B2365 34.102 109.354 -16.378 1.00 0.00 N ATOM 50802 C8 G B2365 33.859 110.076 -15.231 1.00 0.00 C ATOM 50803 N7 G B2365 34.164 111.349 -15.324 1.00 0.00 N ATOM 50804 C5 G B2365 34.647 111.479 -16.625 1.00 0.00 C ATOM 50805 C6 G B2365 35.136 112.617 -17.313 1.00 0.00 C ATOM 50806 O6 G B2365 35.241 113.773 -16.907 1.00 0.00 O ATOM 50807 N1 G B2365 35.524 112.306 -18.622 1.00 0.00 N ATOM 50808 C2 G B2365 35.449 111.046 -19.194 1.00 0.00 C ATOM 50809 N2 G B2365 35.867 110.953 -20.456 1.00 0.00 N ATOM 50810 N3 G B2365 34.993 109.979 -18.549 1.00 0.00 N ATOM 50811 C4 G B2365 34.613 110.267 -17.278 1.00 0.00 C ATOM 50812 P A B2366 37.925 107.960 -15.357 1.00 0.00 P ATOM 50813 O1P A B2366 37.045 108.607 -14.359 1.00 0.00 O ATOM 50814 O2P A B2366 38.483 108.854 -16.395 1.00 0.00 O ATOM 50815 O5* A B2366 39.288 106.996 -14.604 1.00 0.00 O ATOM 50816 C5* A B2366 39.517 105.720 -13.963 1.00 0.00 C ATOM 50817 C4* A B2366 38.155 105.310 -13.198 1.00 0.00 C ATOM 50818 O4* A B2366 37.005 106.062 -13.689 1.00 0.00 O ATOM 50819 C3* A B2366 37.569 103.943 -12.845 1.00 0.00 C ATOM 50820 O3* A B2366 38.275 102.826 -12.057 1.00 0.00 O ATOM 50821 C2* A B2366 36.195 104.313 -12.303 1.00 0.00 C ATOM 50822 O2* A B2366 36.294 104.831 -10.988 1.00 0.00 O ATOM 50823 C1* A B2366 35.809 105.475 -13.214 1.00 0.00 C ATOM 50824 N9 A B2366 34.893 106.668 -12.475 1.00 0.00 N ATOM 50825 C8 A B2366 35.248 107.969 -12.198 1.00 0.00 C ATOM 50826 N7 A B2366 34.267 108.709 -11.782 1.00 0.00 N ATOM 50827 C5 A B2366 33.177 107.848 -11.778 1.00 0.00 C ATOM 50828 C6 A B2366 31.833 108.026 -11.435 1.00 0.00 C ATOM 50829 N6 A B2366 31.325 109.196 -11.011 1.00 0.00 N ATOM 50830 N1 A B2366 31.013 106.962 -11.553 1.00 0.00 N ATOM 50831 C2 A B2366 31.520 105.809 -11.978 1.00 0.00 C ATOM 50832 N3 A B2366 32.754 105.519 -12.324 1.00 0.00 N ATOM 50833 C4 A B2366 33.552 106.603 -12.202 1.00 0.00 C ATOM 50834 P G B2367 38.399 101.406 -13.177 1.00 0.00 P ATOM 50835 O1P G B2367 37.514 101.705 -14.323 1.00 0.00 O ATOM 50836 O2P G B2367 38.394 100.004 -12.705 1.00 0.00 O ATOM 50837 O5* G B2367 39.898 101.857 -13.521 1.00 0.00 O ATOM 50838 C5* G B2367 40.120 103.145 -14.120 1.00 0.00 C ATOM 50839 C4* G B2367 41.607 103.413 -14.239 1.00 0.00 C ATOM 50840 O4* G B2367 42.163 103.573 -12.905 1.00 0.00 O ATOM 50841 C3* G B2367 42.438 102.288 -14.856 1.00 0.00 C ATOM 50842 O3* G B2367 42.422 102.342 -16.247 1.00 0.00 O ATOM 50843 C2* G B2367 43.823 102.558 -14.271 1.00 0.00 C ATOM 50844 O2* G B2367 44.443 103.647 -14.931 1.00 0.00 O ATOM 50845 C1* G B2367 43.475 103.030 -12.863 1.00 0.00 C ATOM 50846 N9 G B2367 43.491 101.942 -11.844 1.00 0.00 N ATOM 50847 C8 G B2367 42.435 101.313 -11.226 1.00 0.00 C ATOM 50848 N7 G B2367 42.792 100.387 -10.367 1.00 0.00 N ATOM 50849 C5 G B2367 44.185 100.405 -10.424 1.00 0.00 C ATOM 50850 C6 G B2367 45.135 99.624 -9.720 1.00 0.00 C ATOM 50851 O6 G B2367 44.944 98.741 -8.887 1.00 0.00 O ATOM 50852 N1 G B2367 46.447 99.969 -10.078 1.00 0.00 N ATOM 50853 C2 G B2367 46.793 100.940 -10.997 1.00 0.00 C ATOM 50854 N2 G B2367 48.100 101.117 -11.202 1.00 0.00 N ATOM 50855 N3 G B2367 45.898 101.672 -11.660 1.00 0.00 N ATOM 50856 C4 G B2367 44.621 101.350 -11.324 1.00 0.00 C ATOM 50857 P C B2368 42.475 100.943 -17.089 1.00 0.00 P ATOM 50858 O1P C B2368 42.084 101.176 -18.497 1.00 0.00 O ATOM 50859 O2P C B2368 41.703 99.906 -16.369 1.00 0.00 O ATOM 50860 O5* C B2368 44.039 100.607 -17.010 1.00 0.00 O ATOM 50861 C5* C B2368 44.982 101.536 -17.573 1.00 0.00 C ATOM 50862 C4* C B2368 46.396 101.082 -17.278 1.00 0.00 C ATOM 50863 O4* C B2368 46.638 101.194 -15.846 1.00 0.00 O ATOM 50864 C3* C B2368 46.704 99.615 -17.591 1.00 0.00 C ATOM 50865 O3* C B2368 47.038 99.440 -18.932 1.00 0.00 O ATOM 50866 C2* C B2368 47.871 99.327 -16.650 1.00 0.00 C ATOM 50867 O2* C B2368 49.072 99.892 -17.147 1.00 0.00 O ATOM 50868 C1* C B2368 47.478 100.133 -15.416 1.00 0.00 C ATOM 50869 N1 C B2368 46.739 99.342 -14.394 1.00 0.00 N ATOM 50870 C2 C B2368 47.461 98.432 -13.629 1.00 0.00 C ATOM 50871 O2 C B2368 48.677 98.320 -13.827 1.00 0.00 O ATOM 50872 N3 C B2368 46.804 97.700 -12.693 1.00 0.00 N ATOM 50873 C4 C B2368 45.485 97.852 -12.510 1.00 0.00 C ATOM 50874 N4 C B2368 44.890 97.118 -11.582 1.00 0.00 N ATOM 50875 C5 C B2368 44.723 98.783 -13.286 1.00 0.00 C ATOM 50876 C6 C B2368 45.399 99.503 -14.216 1.00 0.00 C ATOM 50877 P A B2369 46.606 98.047 -19.670 1.00 0.00 P ATOM 50878 O1P A B2369 46.710 98.196 -21.140 1.00 0.00 O ATOM 50879 O2P A B2369 45.290 97.606 -19.158 1.00 0.00 O ATOM 50880 O5* A B2369 47.751 97.061 -19.140 1.00 0.00 O ATOM 50881 C5* A B2369 49.124 97.357 -19.449 1.00 0.00 C ATOM 50882 C4* A B2369 50.037 96.369 -18.750 1.00 0.00 C ATOM 50883 O4* A B2369 49.967 96.597 -17.314 1.00 0.00 O ATOM 50884 C3* A B2369 49.667 94.893 -18.908 1.00 0.00 C ATOM 50885 O3* A B2369 50.174 94.363 -20.094 1.00 0.00 O ATOM 50886 C2* A B2369 50.301 94.270 -17.667 1.00 0.00 C ATOM 50887 O2* A B2369 51.704 94.142 -17.827 1.00 0.00 O ATOM 50888 C1* A B2369 50.072 95.361 -16.626 1.00 0.00 C ATOM 50889 N9 A B2369 48.829 95.171 -15.823 1.00 0.00 N ATOM 50890 C8 A B2369 47.636 95.856 -15.902 1.00 0.00 C ATOM 50891 N7 A B2369 46.741 95.447 -15.057 1.00 0.00 N ATOM 50892 C5 A B2369 47.372 94.422 -14.367 1.00 0.00 C ATOM 50893 C6 A B2369 46.945 93.573 -13.332 1.00 0.00 C ATOM 50894 N6 A B2369 45.725 93.634 -12.783 1.00 0.00 N ATOM 50895 N1 A B2369 47.826 92.662 -12.877 1.00 0.00 N ATOM 50896 C2 A B2369 49.037 92.611 -13.427 1.00 0.00 C ATOM 50897 N3 A B2369 49.544 93.343 -14.393 1.00 0.00 N ATOM 50898 C4 A B2369 48.644 94.248 -14.830 1.00 0.00 C ATOM 50899 P G B2370 49.313 93.215 -20.871 1.00 0.00 P ATOM 50900 O1P G B2370 49.809 93.049 -22.255 1.00 0.00 O ATOM 50901 O2P G B2370 47.870 93.506 -20.734 1.00 0.00 O ATOM 50902 O5* G B2370 49.685 91.922 -20.004 1.00 0.00 O ATOM 50903 C5* G B2370 51.063 91.510 -19.922 1.00 0.00 C ATOM 50904 C4* G B2370 51.203 90.351 -18.957 1.00 0.00 C ATOM 50905 O4* G B2370 50.921 90.823 -17.609 1.00 0.00 O ATOM 50906 C3* G B2370 50.218 89.197 -19.156 1.00 0.00 C ATOM 50907 O3* G B2370 50.665 88.305 -20.130 1.00 0.00 O ATOM 50908 C2* G B2370 50.170 88.572 -17.764 1.00 0.00 C ATOM 50909 O2* G B2370 51.334 87.801 -17.518 1.00 0.00 O ATOM 50910 C1* G B2370 50.258 89.806 -16.872 1.00 0.00 C ATOM 50911 N9 G B2370 48.932 90.335 -16.449 1.00 0.00 N ATOM 50912 C8 G B2370 48.263 91.459 -16.881 1.00 0.00 C ATOM 50913 N7 G B2370 47.100 91.646 -16.303 1.00 0.00 N ATOM 50914 C5 G B2370 46.993 90.568 -15.424 1.00 0.00 C ATOM 50915 C6 G B2370 45.952 90.225 -14.523 1.00 0.00 C ATOM 50916 O6 G B2370 44.893 90.813 -14.310 1.00 0.00 O ATOM 50917 N1 G B2370 46.251 89.050 -13.819 1.00 0.00 N ATOM 50918 C2 G B2370 47.401 88.302 -13.971 1.00 0.00 C ATOM 50919 N2 G B2370 47.496 87.212 -13.207 1.00 0.00 N ATOM 50920 N3 G B2370 48.377 88.624 -14.814 1.00 0.00 N ATOM 50921 C4 G B2370 48.104 89.763 -15.505 1.00 0.00 C ATOM 50922 P G B2371 49.245 87.749 -21.176 1.00 0.00 P ATOM 50923 O1P G B2371 49.184 86.267 -21.238 1.00 0.00 O ATOM 50924 O2P G B2371 49.248 88.445 -22.478 1.00 0.00 O ATOM 50925 O5* G B2371 47.930 88.416 -20.085 1.00 0.00 O ATOM 50926 C5* G B2371 46.942 88.596 -19.044 1.00 0.00 C ATOM 50927 C4* G B2371 45.511 89.262 -19.478 1.00 0.00 C ATOM 50928 O4* G B2371 45.113 89.088 -20.870 1.00 0.00 O ATOM 50929 C3* G B2371 44.216 89.040 -18.695 1.00 0.00 C ATOM 50930 O3* G B2371 43.920 87.750 -17.894 1.00 0.00 O ATOM 50931 C2* G B2371 43.170 89.650 -19.626 1.00 0.00 C ATOM 50932 O2* G B2371 43.202 91.068 -19.558 1.00 0.00 O ATOM 50933 C1* G B2371 43.713 89.262 -20.995 1.00 0.00 C ATOM 50934 N9 G B2371 43.044 87.815 -21.650 1.00 0.00 N ATOM 50935 C8 G B2371 42.080 86.988 -21.124 1.00 0.00 C ATOM 50936 N7 G B2371 41.758 85.980 -21.898 1.00 0.00 N ATOM 50937 C5 G B2371 42.567 86.154 -23.024 1.00 0.00 C ATOM 50938 C6 G B2371 42.669 85.379 -24.204 1.00 0.00 C ATOM 50939 O6 G B2371 42.057 84.359 -24.512 1.00 0.00 O ATOM 50940 N1 G B2371 43.616 85.912 -25.088 1.00 0.00 N ATOM 50941 C2 G B2371 44.368 87.049 -24.862 1.00 0.00 C ATOM 50942 N2 G B2371 45.219 87.397 -25.826 1.00 0.00 N ATOM 50943 N3 G B2371 44.268 87.777 -23.749 1.00 0.00 N ATOM 50944 C4 G B2371 43.358 87.272 -22.881 1.00 0.00 C ATOM 50945 P U B2372 42.820 87.711 -16.466 1.00 0.00 P ATOM 50946 O1P U B2372 41.356 87.674 -16.683 1.00 0.00 O ATOM 50947 O2P U B2372 43.281 88.535 -15.326 1.00 0.00 O ATOM 50948 O5* U B2372 43.384 86.219 -16.322 1.00 0.00 O ATOM 50949 C5* U B2372 44.593 85.999 -15.569 1.00 0.00 C ATOM 50950 C4* U B2372 44.868 84.515 -15.453 1.00 0.00 C ATOM 50951 O4* U B2372 43.844 83.909 -14.614 1.00 0.00 O ATOM 50952 C3* U B2372 44.793 83.720 -16.760 1.00 0.00 C ATOM 50953 O3* U B2372 45.991 83.783 -17.466 1.00 0.00 O ATOM 50954 C2* U B2372 44.476 82.313 -16.259 1.00 0.00 C ATOM 50955 O2* U B2372 45.633 81.700 -15.720 1.00 0.00 O ATOM 50956 C1* U B2372 43.543 82.606 -15.089 1.00 0.00 C ATOM 50957 N1 U B2372 42.098 82.569 -15.452 1.00 0.00 N ATOM 50958 C2 U B2372 41.535 81.334 -15.663 1.00 0.00 C ATOM 50959 O2 U B2372 42.165 80.293 -15.567 1.00 0.00 O ATOM 50960 N3 U B2372 40.195 81.341 -15.998 1.00 0.00 N ATOM 50961 C4 U B2372 39.392 82.453 -16.135 1.00 0.00 C ATOM 50962 O4 U B2372 38.203 82.333 -16.440 1.00 0.00 O ATOM 50963 C5 U B2372 40.070 83.706 -15.895 1.00 0.00 C ATOM 50964 C6 U B2372 41.374 83.727 -15.567 1.00 0.00 C ATOM 50965 P G B2373 45.940 83.779 -19.099 1.00 0.00 P ATOM 50966 O1P G B2373 47.241 84.216 -19.653 1.00 0.00 O ATOM 50967 O2P G B2373 44.757 84.542 -19.556 1.00 0.00 O ATOM 50968 O5* G B2373 45.724 82.220 -19.389 1.00 0.00 O ATOM 50969 C5* G B2373 46.720 81.282 -18.943 1.00 0.00 C ATOM 50970 C4* G B2373 46.256 79.867 -19.208 1.00 0.00 C ATOM 50971 O4* G B2373 45.117 79.573 -18.346 1.00 0.00 O ATOM 50972 C3* G B2373 45.733 79.591 -20.617 1.00 0.00 C ATOM 50973 O3* G B2373 46.769 79.304 -21.503 1.00 0.00 O ATOM 50974 C2* G B2373 44.808 78.398 -20.386 1.00 0.00 C ATOM 50975 O2* G B2373 45.560 77.206 -20.218 1.00 0.00 O ATOM 50976 C1* G B2373 44.201 78.734 -19.029 1.00 0.00 C ATOM 50977 N9 G B2373 42.898 79.452 -19.119 1.00 0.00 N ATOM 50978 C8 G B2373 42.617 80.780 -18.882 1.00 0.00 C ATOM 50979 N7 G B2373 41.357 81.097 -19.050 1.00 0.00 N ATOM 50980 C5 G B2373 40.759 79.895 -19.426 1.00 0.00 C ATOM 50981 C6 G B2373 39.408 79.606 -19.744 1.00 0.00 C ATOM 50982 O6 G B2373 38.441 80.365 -19.759 1.00 0.00 O ATOM 50983 N1 G B2373 39.237 78.254 -20.072 1.00 0.00 N ATOM 50984 C2 G B2373 40.239 77.305 -20.090 1.00 0.00 C ATOM 50985 N2 G B2373 39.871 76.069 -20.431 1.00 0.00 N ATOM 50986 N3 G B2373 41.509 77.579 -19.791 1.00 0.00 N ATOM 50987 C4 G B2373 41.692 78.885 -19.471 1.00 0.00 C ATOM 50988 P C B2374 46.625 79.781 -23.057 1.00 0.00 P ATOM 50989 O1P C B2374 47.942 79.725 -23.733 1.00 0.00 O ATOM 50990 O2P C B2374 45.931 81.088 -23.111 1.00 0.00 O ATOM 50991 O5* C B2374 45.670 78.635 -23.637 1.00 0.00 O ATOM 50992 C5* C B2374 46.119 77.268 -23.598 1.00 0.00 C ATOM 50993 C4* C B2374 45.014 76.348 -24.076 1.00 0.00 C ATOM 50994 O4* C B2374 43.930 76.366 -23.106 1.00 0.00 O ATOM 50995 C3* C B2374 44.339 76.746 -25.390 1.00 0.00 C ATOM 50996 O3* C B2374 45.058 76.288 -26.492 1.00 0.00 O ATOM 50997 C2* C B2374 42.973 76.079 -25.260 1.00 0.00 C ATOM 50998 O2* C B2374 43.067 74.683 -25.497 1.00 0.00 O ATOM 50999 C1* C B2374 42.682 76.255 -23.775 1.00 0.00 C ATOM 51000 N1 C B2374 41.883 77.473 -23.461 1.00 0.00 N ATOM 51001 C2 C B2374 40.527 77.456 -23.771 1.00 0.00 C ATOM 51002 O2 C B2374 40.045 76.442 -24.288 1.00 0.00 O ATOM 51003 N3 C B2374 39.779 78.554 -23.496 1.00 0.00 N ATOM 51004 C4 C B2374 40.338 79.634 -22.934 1.00 0.00 C ATOM 51005 N4 C B2374 39.566 80.681 -22.682 1.00 0.00 N ATOM 51006 C5 C B2374 41.730 79.672 -22.606 1.00 0.00 C ATOM 51007 C6 C B2374 42.460 78.564 -22.891 1.00 0.00 C ATOM 51008 P G B2375 45.268 78.360 -26.843 1.00 0.00 P ATOM 51009 O1P G B2375 46.426 78.913 -26.103 1.00 0.00 O ATOM 51010 O2P G B2375 43.955 78.967 -26.532 1.00 0.00 O ATOM 51011 O5* G B2375 45.436 78.937 -28.635 1.00 0.00 O ATOM 51012 C5* G B2375 45.189 80.282 -29.180 1.00 0.00 C ATOM 51013 C4* G B2375 44.439 81.385 -28.234 1.00 0.00 C ATOM 51014 O4* G B2375 45.111 82.658 -28.002 1.00 0.00 O ATOM 51015 C3* G B2375 42.966 81.768 -28.374 1.00 0.00 C ATOM 51016 O3* G B2375 41.897 80.696 -28.559 1.00 0.00 O ATOM 51017 C2* G B2375 42.834 82.909 -27.374 1.00 0.00 C ATOM 51018 O2* G B2375 42.786 82.409 -26.045 1.00 0.00 O ATOM 51019 C1* G B2375 44.174 83.616 -27.529 1.00 0.00 C ATOM 51020 N9 G B2375 44.161 84.943 -28.620 1.00 0.00 N ATOM 51021 C8 G B2375 45.106 85.315 -29.548 1.00 0.00 C ATOM 51022 N7 G B2375 44.818 86.416 -30.194 1.00 0.00 N ATOM 51023 C5 G B2375 43.591 86.807 -29.652 1.00 0.00 C ATOM 51024 C6 G B2375 42.772 87.923 -29.948 1.00 0.00 C ATOM 51025 O6 G B2375 42.964 88.823 -30.766 1.00 0.00 O ATOM 51026 N1 G B2375 41.612 87.935 -29.166 1.00 0.00 N ATOM 51027 C2 G B2375 41.284 86.988 -28.212 1.00 0.00 C ATOM 51028 N2 G B2375 40.130 87.176 -27.572 1.00 0.00 N ATOM 51029 N3 G B2375 42.050 85.935 -27.937 1.00 0.00 N ATOM 51030 C4 G B2375 43.184 85.912 -28.690 1.00 0.00 C ATOM 51031 P A B2376 40.951 80.143 -27.101 1.00 0.00 P ATOM 51032 O1P A B2376 39.555 80.629 -27.118 1.00 0.00 O ATOM 51033 O2P A B2376 41.692 80.363 -25.840 1.00 0.00 O ATOM 51034 O5* A B2376 41.121 78.402 -27.592 1.00 0.00 O ATOM 51035 C5* A B2376 41.371 76.999 -27.605 1.00 0.00 C ATOM 51036 C4* A B2376 40.500 76.259 -28.769 1.00 0.00 C ATOM 51037 O4* A B2376 40.620 74.818 -28.899 1.00 0.00 O ATOM 51038 C3* A B2376 38.993 76.503 -28.728 1.00 0.00 C ATOM 51039 O3* A B2376 38.569 77.980 -28.849 1.00 0.00 O ATOM 51040 C2* A B2376 38.468 75.444 -29.688 1.00 0.00 C ATOM 51041 O2* A B2376 38.694 75.829 -31.035 1.00 0.00 O ATOM 51042 C1* A B2376 39.407 74.275 -29.399 1.00 0.00 C ATOM 51043 N9 A B2376 38.821 73.163 -28.277 1.00 0.00 N ATOM 51044 C8 A B2376 39.365 71.957 -27.906 1.00 0.00 C ATOM 51045 N7 A B2376 38.598 71.249 -27.134 1.00 0.00 N ATOM 51046 C5 A B2376 37.468 72.036 -26.974 1.00 0.00 C ATOM 51047 C6 A B2376 36.273 71.840 -26.260 1.00 0.00 C ATOM 51048 N6 A B2376 36.013 70.747 -25.537 1.00 0.00 N ATOM 51049 N1 A B2376 35.353 72.825 -26.315 1.00 0.00 N ATOM 51050 C2 A B2376 35.620 73.911 -27.035 1.00 0.00 C ATOM 51051 N3 A B2376 36.691 74.203 -27.740 1.00 0.00 N ATOM 51052 C4 A B2376 37.599 73.201 -27.669 1.00 0.00 C ATOM 51053 P A B2377 39.216 79.013 -30.221 1.00 0.00 P ATOM 51054 O1P A B2377 40.468 78.488 -30.813 1.00 0.00 O ATOM 51055 O2P A B2377 39.227 80.439 -29.841 1.00 0.00 O ATOM 51056 O5* A B2377 37.767 78.641 -31.253 1.00 0.00 O ATOM 51057 C5* A B2377 36.682 79.437 -31.720 1.00 0.00 C ATOM 51058 C4* A B2377 36.641 80.978 -31.157 1.00 0.00 C ATOM 51059 O4* A B2377 36.896 81.909 -32.247 1.00 0.00 O ATOM 51060 C3* A B2377 35.391 81.536 -30.482 1.00 0.00 C ATOM 51061 O3* A B2377 35.041 81.019 -29.026 1.00 0.00 O ATOM 51062 C2* A B2377 35.605 83.042 -30.606 1.00 0.00 C ATOM 51063 O2* A B2377 36.563 83.493 -29.664 1.00 0.00 O ATOM 51064 C1* A B2377 36.255 83.142 -31.984 1.00 0.00 C ATOM 51065 N9 A B2377 35.171 83.463 -33.258 1.00 0.00 N ATOM 51066 C8 A B2377 34.834 82.652 -34.320 1.00 0.00 C ATOM 51067 N7 A B2377 33.850 83.102 -35.037 1.00 0.00 N ATOM 51068 C5 A B2377 33.506 84.296 -34.418 1.00 0.00 C ATOM 51069 C6 A B2377 32.524 85.259 -34.697 1.00 0.00 C ATOM 51070 N6 A B2377 31.670 85.165 -35.728 1.00 0.00 N ATOM 51071 N1 A B2377 32.449 86.324 -33.885 1.00 0.00 N ATOM 51072 C2 A B2377 33.299 86.408 -32.858 1.00 0.00 C ATOM 51073 N3 A B2377 34.250 85.580 -32.496 1.00 0.00 N ATOM 51074 C4 A B2377 34.302 84.519 -33.331 1.00 0.00 C ATOM 51075 P A B2378 33.404 80.413 -28.390 1.00 0.00 P ATOM 51076 O1P A B2378 33.477 79.016 -27.910 1.00 0.00 O ATOM 51077 O2P A B2378 32.263 80.735 -29.273 1.00 0.00 O ATOM 51078 O5* A B2378 33.339 81.507 -26.910 1.00 0.00 O ATOM 51079 C5* A B2378 32.042 81.343 -26.247 1.00 0.00 C ATOM 51080 C4* A B2378 31.246 82.728 -26.296 1.00 0.00 C ATOM 51081 O4* A B2378 32.039 83.944 -26.414 1.00 0.00 O ATOM 51082 C3* A B2378 29.951 83.195 -25.631 1.00 0.00 C ATOM 51083 O3* A B2378 28.882 82.038 -25.333 1.00 0.00 O ATOM 51084 C2* A B2378 30.455 84.276 -24.674 1.00 0.00 C ATOM 51085 O2* A B2378 31.069 83.693 -23.535 1.00 0.00 O ATOM 51086 C1* A B2378 31.568 84.914 -25.496 1.00 0.00 C ATOM 51087 N9 A B2378 31.105 86.284 -26.363 1.00 0.00 N ATOM 51088 C8 A B2378 30.692 86.366 -27.676 1.00 0.00 C ATOM 51089 N7 A B2378 30.603 87.583 -28.124 1.00 0.00 N ATOM 51090 C5 A B2378 30.982 88.364 -27.043 1.00 0.00 C ATOM 51091 C6 A B2378 31.099 89.758 -26.875 1.00 0.00 C ATOM 51092 N6 A B2378 30.828 90.644 -27.848 1.00 0.00 N ATOM 51093 N1 A B2378 31.498 90.205 -25.673 1.00 0.00 N ATOM 51094 C2 A B2378 31.762 89.317 -24.712 1.00 0.00 C ATOM 51095 N3 A B2378 31.688 88.005 -24.750 1.00 0.00 N ATOM 51096 C4 A B2378 31.287 87.585 -25.971 1.00 0.00 C ATOM 51097 P G B2379 28.674 81.223 -23.654 1.00 0.00 P ATOM 51098 O1P G B2379 27.336 80.974 -23.071 1.00 0.00 O ATOM 51099 O2P G B2379 29.526 82.182 -22.918 1.00 0.00 O ATOM 51100 O5* G B2379 29.452 79.835 -23.838 1.00 0.00 O ATOM 51101 C5* G B2379 28.835 78.786 -24.604 1.00 0.00 C ATOM 51102 C4* G B2379 29.791 77.620 -24.752 1.00 0.00 C ATOM 51103 O4* G B2379 30.905 78.032 -25.595 1.00 0.00 O ATOM 51104 C3* G B2379 30.459 77.139 -23.463 1.00 0.00 C ATOM 51105 O3* G B2379 29.647 76.249 -22.767 1.00 0.00 O ATOM 51106 C2* G B2379 31.735 76.484 -23.990 1.00 0.00 C ATOM 51107 O2* G B2379 31.451 75.214 -24.555 1.00 0.00 O ATOM 51108 C1* G B2379 32.101 77.412 -25.145 1.00 0.00 C ATOM 51109 N9 G B2379 33.062 78.486 -24.770 1.00 0.00 N ATOM 51110 C8 G B2379 32.834 79.830 -24.577 1.00 0.00 C ATOM 51111 N7 G B2379 33.904 80.513 -24.247 1.00 0.00 N ATOM 51112 C5 G B2379 34.912 79.551 -24.219 1.00 0.00 C ATOM 51113 C6 G B2379 36.295 79.685 -23.926 1.00 0.00 C ATOM 51114 O6 G B2379 36.923 80.698 -23.626 1.00 0.00 O ATOM 51115 N1 G B2379 36.958 78.454 -24.013 1.00 0.00 N ATOM 51116 C2 G B2379 36.364 77.249 -24.340 1.00 0.00 C ATOM 51117 N2 G B2379 37.171 76.188 -24.369 1.00 0.00 N ATOM 51118 N3 G B2379 35.067 77.127 -24.615 1.00 0.00 N ATOM 51119 C4 G B2379 34.410 78.314 -24.538 1.00 0.00 C ATOM 51120 P C B2380 29.698 76.249 -21.135 1.00 0.00 P ATOM 51121 O1P C B2380 28.533 75.524 -20.586 1.00 0.00 O ATOM 51122 O2P C B2380 29.882 77.635 -20.650 1.00 0.00 O ATOM 51123 O5* C B2380 31.032 75.406 -20.876 1.00 0.00 O ATOM 51124 C5* C B2380 31.103 74.047 -21.354 1.00 0.00 C ATOM 51125 C4* C B2380 32.490 73.486 -21.114 1.00 0.00 C ATOM 51126 O4* C B2380 33.437 74.186 -21.967 1.00 0.00 O ATOM 51127 C3* C B2380 33.051 73.681 -19.705 1.00 0.00 C ATOM 51128 O3* C B2380 32.610 72.685 -18.836 1.00 0.00 O ATOM 51129 C2* C B2380 34.558 73.623 -19.950 1.00 0.00 C ATOM 51130 O2* C B2380 34.983 72.286 -20.152 1.00 0.00 O ATOM 51131 C1* C B2380 34.677 74.332 -21.295 1.00 0.00 C ATOM 51132 N1 C B2380 34.970 75.789 -21.177 1.00 0.00 N ATOM 51133 C2 C B2380 36.256 76.166 -20.809 1.00 0.00 C ATOM 51134 O2 C B2380 37.097 75.287 -20.595 1.00 0.00 O ATOM 51135 N3 C B2380 36.541 77.488 -20.697 1.00 0.00 N ATOM 51136 C4 C B2380 35.602 78.411 -20.936 1.00 0.00 C ATOM 51137 N4 C B2380 35.933 79.688 -20.813 1.00 0.00 N ATOM 51138 C5 C B2380 34.270 78.044 -21.316 1.00 0.00 C ATOM 51139 C6 C B2380 34.006 76.718 -21.421 1.00 0.00 C ATOM 51140 P A B2381 32.353 73.070 -17.269 1.00 0.00 P ATOM 51141 O1P A B2381 31.554 72.012 -16.609 1.00 0.00 O ATOM 51142 O2P A B2381 31.803 74.440 -17.182 1.00 0.00 O ATOM 51143 O5* A B2381 33.850 73.047 -16.704 1.00 0.00 O ATOM 51144 C5* A B2381 34.608 71.826 -16.776 1.00 0.00 C ATOM 51145 C4* A B2381 36.026 72.066 -16.306 1.00 0.00 C ATOM 51146 O4* A B2381 36.701 72.930 -17.267 1.00 0.00 O ATOM 51147 C3* A B2381 36.171 72.811 -14.977 1.00 0.00 C ATOM 51148 O3* A B2381 36.068 71.944 -13.892 1.00 0.00 O ATOM 51149 C2* A B2381 37.559 73.430 -15.110 1.00 0.00 C ATOM 51150 O2* A B2381 38.567 72.454 -14.900 1.00 0.00 O ATOM 51151 C1* A B2381 37.595 73.798 -16.589 1.00 0.00 C ATOM 51152 N9 A B2381 37.178 75.200 -16.868 1.00 0.00 N ATOM 51153 C8 A B2381 36.003 75.662 -17.416 1.00 0.00 C ATOM 51154 N7 A B2381 35.944 76.953 -17.529 1.00 0.00 N ATOM 51155 C5 A B2381 37.160 77.388 -17.023 1.00 0.00 C ATOM 51156 C6 A B2381 37.717 78.667 -16.865 1.00 0.00 C ATOM 51157 N6 A B2381 37.086 79.796 -17.217 1.00 0.00 N ATOM 51158 N1 A B2381 38.949 78.744 -16.329 1.00 0.00 N ATOM 51159 C2 A B2381 39.567 77.618 -15.978 1.00 0.00 C ATOM 51160 N3 A B2381 39.152 76.374 -16.076 1.00 0.00 N ATOM 51161 C4 A B2381 37.917 76.325 -16.616 1.00 0.00 C ATOM 51162 P G B2382 35.058 72.594 -12.298 1.00 0.00 P ATOM 51163 O1P G B2382 35.220 71.457 -11.368 1.00 0.00 O ATOM 51164 O2P G B2382 33.682 72.826 -12.800 1.00 0.00 O ATOM 51165 O5* G B2382 35.346 74.218 -11.192 1.00 0.00 O ATOM 51166 C5* G B2382 34.984 75.065 -9.818 1.00 0.00 C ATOM 51167 C4* G B2382 34.942 76.805 -9.447 1.00 0.00 C ATOM 51168 O4* G B2382 34.626 77.328 -10.771 1.00 0.00 O ATOM 51169 C3* G B2382 34.357 77.848 -8.494 1.00 0.00 C ATOM 51170 O3* G B2382 35.300 78.317 -7.135 1.00 0.00 O ATOM 51171 C2* G B2382 34.613 79.150 -9.241 1.00 0.00 C ATOM 51172 O2* G B2382 35.975 79.528 -9.148 1.00 0.00 O ATOM 51173 C1* G B2382 34.378 78.721 -10.692 1.00 0.00 C ATOM 51174 N9 G B2382 32.763 79.030 -11.294 1.00 0.00 N ATOM 51175 C8 G B2382 31.856 78.144 -11.835 1.00 0.00 C ATOM 51176 N7 G B2382 30.785 78.716 -12.331 1.00 0.00 N ATOM 51177 C5 G B2382 31.006 80.078 -12.110 1.00 0.00 C ATOM 51178 C6 G B2382 30.198 81.197 -12.433 1.00 0.00 C ATOM 51179 O6 G B2382 29.104 81.223 -12.989 1.00 0.00 O ATOM 51180 N1 G B2382 30.796 82.397 -12.028 1.00 0.00 N ATOM 51181 C2 G B2382 32.018 82.500 -11.389 1.00 0.00 C ATOM 51182 N2 G B2382 32.418 83.738 -11.084 1.00 0.00 N ATOM 51183 N3 G B2382 32.778 81.449 -11.088 1.00 0.00 N ATOM 51184 C4 G B2382 32.209 80.275 -11.475 1.00 0.00 C ATOM 51185 P G B2383 34.991 79.324 -5.526 1.00 0.00 P ATOM 51186 O1P G B2383 35.802 80.343 -4.821 1.00 0.00 O ATOM 51187 O2P G B2383 34.655 78.115 -4.742 1.00 0.00 O ATOM 51188 O5* G B2383 33.649 79.995 -6.087 1.00 0.00 O ATOM 51189 C5* G B2383 33.703 81.337 -6.605 1.00 0.00 C ATOM 51190 C4* G B2383 32.362 81.721 -7.194 1.00 0.00 C ATOM 51191 O4* G B2383 32.123 80.917 -8.385 1.00 0.00 O ATOM 51192 C3* G B2383 31.144 81.442 -6.312 1.00 0.00 C ATOM 51193 O3* G B2383 30.923 82.474 -5.403 1.00 0.00 O ATOM 51194 C2* G B2383 30.025 81.316 -7.343 1.00 0.00 C ATOM 51195 O2* G B2383 29.636 82.591 -7.822 1.00 0.00 O ATOM 51196 C1* G B2383 30.743 80.611 -8.490 1.00 0.00 C ATOM 51197 N9 G B2383 30.597 79.127 -8.464 1.00 0.00 N ATOM 51198 C8 G B2383 31.521 78.168 -8.116 1.00 0.00 C ATOM 51199 N7 G B2383 31.074 76.940 -8.201 1.00 0.00 N ATOM 51200 C5 G B2383 29.758 77.095 -8.639 1.00 0.00 C ATOM 51201 C6 G B2383 28.764 76.121 -8.914 1.00 0.00 C ATOM 51202 O6 G B2383 28.842 74.898 -8.829 1.00 0.00 O ATOM 51203 N1 G B2383 27.566 76.716 -9.334 1.00 0.00 N ATOM 51204 C2 G B2383 27.356 78.075 -9.468 1.00 0.00 C ATOM 51205 N2 G B2383 26.140 78.442 -9.883 1.00 0.00 N ATOM 51206 N3 G B2383 28.289 78.989 -9.209 1.00 0.00 N ATOM 51207 C4 G B2383 29.458 78.428 -8.802 1.00 0.00 C ATOM 51208 P U B2384 30.319 82.109 -3.932 1.00 0.00 P ATOM 51209 O1P U B2384 30.501 83.251 -3.008 1.00 0.00 O ATOM 51210 O2P U B2384 30.878 80.817 -3.477 1.00 0.00 O ATOM 51211 O5* U B2384 28.767 81.938 -4.279 1.00 0.00 O ATOM 51212 C5* U B2384 28.044 83.058 -4.827 1.00 0.00 C ATOM 51213 C4* U B2384 26.636 82.637 -5.192 1.00 0.00 C ATOM 51214 O4* U B2384 26.699 81.709 -6.313 1.00 0.00 O ATOM 51215 C3* U B2384 25.868 81.865 -4.117 1.00 0.00 C ATOM 51216 O3* U B2384 25.263 82.728 -3.205 1.00 0.00 O ATOM 51217 C2* U B2384 24.857 81.080 -4.947 1.00 0.00 C ATOM 51218 O2* U B2384 23.802 81.921 -5.381 1.00 0.00 O ATOM 51219 C1* U B2384 25.681 80.730 -6.182 1.00 0.00 C ATOM 51220 N1 U B2384 26.334 79.393 -6.105 1.00 0.00 N ATOM 51221 C2 U B2384 25.527 78.290 -6.261 1.00 0.00 C ATOM 51222 O2 U B2384 24.327 78.371 -6.456 1.00 0.00 O ATOM 51223 N3 U B2384 26.168 77.069 -6.182 1.00 0.00 N ATOM 51224 C4 U B2384 27.517 76.863 -5.966 1.00 0.00 C ATOM 51225 O4 U B2384 27.975 75.720 -5.915 1.00 0.00 O ATOM 51226 C5 U B2384 28.281 78.079 -5.814 1.00 0.00 C ATOM 51227 C6 U B2384 27.681 79.280 -5.884 1.00 0.00 C ATOM 51228 P C B2385 25.429 84.783 -2.169 1.00 0.00 P ATOM 51229 O1P C B2385 24.153 84.523 -2.871 1.00 0.00 O ATOM 51230 O2P C B2385 26.649 84.707 -3.000 1.00 0.00 O ATOM 51231 O5* C B2385 25.568 83.798 -0.914 1.00 0.00 O ATOM 51232 C5* C B2385 26.699 83.944 -0.036 1.00 0.00 C ATOM 51233 C4* C B2385 26.563 83.001 1.143 1.00 0.00 C ATOM 51234 O4* C B2385 25.446 83.438 1.969 1.00 0.00 O ATOM 51235 C3* C B2385 26.221 81.551 0.802 1.00 0.00 C ATOM 51236 O3* C B2385 27.359 80.818 0.480 1.00 0.00 O ATOM 51237 C2* C B2385 25.552 81.067 2.088 1.00 0.00 C ATOM 51238 O2* C B2385 26.519 80.811 3.092 1.00 0.00 O ATOM 51239 C1* C B2385 24.784 82.312 2.520 1.00 0.00 C ATOM 51240 N1 C B2385 23.371 82.334 2.046 1.00 0.00 N ATOM 51241 C2 C B2385 22.458 81.496 2.678 1.00 0.00 C ATOM 51242 O2 C B2385 22.857 80.768 3.599 1.00 0.00 O ATOM 51243 N3 C B2385 21.167 81.500 2.262 1.00 0.00 N ATOM 51244 C4 C B2385 20.775 82.301 1.262 1.00 0.00 C ATOM 51245 N4 C B2385 19.505 82.268 0.895 1.00 0.00 N ATOM 51246 C5 C B2385 21.698 83.173 0.599 1.00 0.00 C ATOM 51247 C6 C B2385 22.982 83.151 1.029 1.00 0.00 C ATOM 51248 P A B2386 27.246 79.637 -0.641 1.00 0.00 P ATOM 51249 O1P A B2386 28.593 79.237 -1.104 1.00 0.00 O ATOM 51250 O2P A B2386 26.298 80.055 -1.699 1.00 0.00 O ATOM 51251 O5* A B2386 26.600 78.458 0.229 1.00 0.00 O ATOM 51252 C5* A B2386 27.318 77.961 1.373 1.00 0.00 C ATOM 51253 C4* A B2386 26.475 76.944 2.113 1.00 0.00 C ATOM 51254 O4* A B2386 25.334 77.627 2.714 1.00 0.00 O ATOM 51255 C3* A B2386 25.837 75.852 1.255 1.00 0.00 C ATOM 51256 O3* A B2386 26.720 74.798 1.030 1.00 0.00 O ATOM 51257 C2* A B2386 24.632 75.441 2.097 1.00 0.00 C ATOM 51258 O2* A B2386 25.035 74.629 3.188 1.00 0.00 O ATOM 51259 C1* A B2386 24.195 76.782 2.681 1.00 0.00 C ATOM 51260 N9 A B2386 23.137 77.465 1.888 1.00 0.00 N ATOM 51261 C8 A B2386 23.243 78.561 1.063 1.00 0.00 C ATOM 51262 N7 A B2386 22.125 78.914 0.509 1.00 0.00 N ATOM 51263 C5 A B2386 21.207 77.995 0.995 1.00 0.00 C ATOM 51264 C6 A B2386 19.830 77.830 0.781 1.00 0.00 C ATOM 51265 N6 A B2386 19.104 78.626 -0.020 1.00 0.00 N ATOM 51266 N1 A B2386 19.219 76.815 1.420 1.00 0.00 N ATOM 51267 C2 A B2386 19.945 76.028 2.211 1.00 0.00 C ATOM 51268 N3 A B2386 21.231 76.083 2.487 1.00 0.00 N ATOM 51269 C4 A B2386 21.816 77.110 1.834 1.00 0.00 C ATOM 51270 P U B2387 26.651 74.006 -0.397 1.00 0.00 P ATOM 51271 O1P U B2387 27.871 73.193 -0.590 1.00 0.00 O ATOM 51272 O2P U B2387 26.337 74.967 -1.478 1.00 0.00 O ATOM 51273 O5* U B2387 25.396 73.045 -0.145 1.00 0.00 O ATOM 51274 C5* U B2387 25.453 72.088 0.929 1.00 0.00 C ATOM 51275 C4* U B2387 24.121 71.376 1.064 1.00 0.00 C ATOM 51276 O4* U B2387 23.123 72.332 1.529 1.00 0.00 O ATOM 51277 C3* U B2387 23.529 70.822 -0.232 1.00 0.00 C ATOM 51278 O3* U B2387 24.049 69.568 -0.538 1.00 0.00 O ATOM 51279 C2* U B2387 22.037 70.779 0.092 1.00 0.00 C ATOM 51280 O2* U B2387 21.738 69.681 0.935 1.00 0.00 O ATOM 51281 C1* U B2387 21.869 72.043 0.934 1.00 0.00 C ATOM 51282 N1 U B2387 21.445 73.233 0.148 1.00 0.00 N ATOM 51283 C2 U B2387 20.138 73.272 -0.274 1.00 0.00 C ATOM 51284 O2 U B2387 19.333 72.388 -0.031 1.00 0.00 O ATOM 51285 N3 U B2387 19.783 74.393 -1.002 1.00 0.00 N ATOM 51286 C4 U B2387 20.603 75.451 -1.332 1.00 0.00 C ATOM 51287 O4 U B2387 20.171 76.401 -1.989 1.00 0.00 O ATOM 51288 C5 U B2387 21.956 75.318 -0.848 1.00 0.00 C ATOM 51289 C6 U B2387 22.331 74.238 -0.139 1.00 0.00 C ATOM 51290 P A B2388 24.696 68.420 -1.829 1.00 0.00 P ATOM 51291 O1P A B2388 24.203 67.060 -1.512 1.00 0.00 O ATOM 51292 O2P A B2388 26.159 68.562 -1.944 1.00 0.00 O ATOM 51293 O5* A B2388 23.821 69.064 -3.300 1.00 0.00 O ATOM 51294 C5* A B2388 24.284 68.798 -4.656 1.00 0.00 C ATOM 51295 C4* A B2388 25.662 69.611 -4.967 1.00 0.00 C ATOM 51296 O4* A B2388 25.933 70.660 -3.989 1.00 0.00 O ATOM 51297 C3* A B2388 27.038 69.007 -5.247 1.00 0.00 C ATOM 51298 O3* A B2388 27.164 68.085 -6.496 1.00 0.00 O ATOM 51299 C2* A B2388 27.948 70.236 -5.180 1.00 0.00 C ATOM 51300 O2* A B2388 27.823 71.015 -6.357 1.00 0.00 O ATOM 51301 C1* A B2388 27.302 71.036 -4.052 1.00 0.00 C ATOM 51302 N9 A B2388 27.986 70.792 -2.539 1.00 0.00 N ATOM 51303 C8 A B2388 27.348 70.592 -1.334 1.00 0.00 C ATOM 51304 N7 A B2388 28.148 70.600 -0.310 1.00 0.00 N ATOM 51305 C5 A B2388 29.403 70.817 -0.866 1.00 0.00 C ATOM 51306 C6 A B2388 30.680 70.930 -0.298 1.00 0.00 C ATOM 51307 N6 A B2388 30.917 70.832 1.018 1.00 0.00 N ATOM 51308 N1 A B2388 31.710 71.142 -1.134 1.00 0.00 N ATOM 51309 C2 A B2388 31.471 71.233 -2.443 1.00 0.00 C ATOM 51310 N3 A B2388 30.328 71.142 -3.087 1.00 0.00 N ATOM 51311 C4 A B2388 29.312 70.933 -2.222 1.00 0.00 C ATOM 51312 P G B2389 26.395 68.566 -8.102 1.00 0.00 P ATOM 51313 O1P G B2389 27.088 69.722 -8.722 1.00 0.00 O ATOM 51314 O2P G B2389 24.925 68.686 -7.990 1.00 0.00 O ATOM 51315 O5* G B2389 26.850 67.015 -8.965 1.00 0.00 O ATOM 51316 C5* G B2389 27.408 66.729 -10.275 1.00 0.00 C ATOM 51317 C4* G B2389 28.945 67.277 -10.398 1.00 0.00 C ATOM 51318 O4* G B2389 29.449 67.768 -9.127 1.00 0.00 O ATOM 51319 C3* G B2389 30.100 66.425 -10.943 1.00 0.00 C ATOM 51320 O3* G B2389 29.971 65.833 -12.373 1.00 0.00 O ATOM 51321 C2* G B2389 31.322 67.209 -10.483 1.00 0.00 C ATOM 51322 O2* G B2389 31.520 68.357 -11.285 1.00 0.00 O ATOM 51323 C1* G B2389 30.864 67.704 -9.110 1.00 0.00 C ATOM 51324 N9 G B2389 31.348 66.706 -7.787 1.00 0.00 N ATOM 51325 C8 G B2389 30.644 65.706 -7.147 1.00 0.00 C ATOM 51326 N7 G B2389 31.229 65.240 -6.071 1.00 0.00 N ATOM 51327 C5 G B2389 32.412 65.980 -5.994 1.00 0.00 C ATOM 51328 C6 G B2389 33.461 65.922 -5.042 1.00 0.00 C ATOM 51329 O6 G B2389 33.569 65.200 -4.057 1.00 0.00 O ATOM 51330 N1 G B2389 34.471 66.850 -5.338 1.00 0.00 N ATOM 51331 C2 G B2389 34.466 67.716 -6.414 1.00 0.00 C ATOM 51332 N2 G B2389 35.527 68.524 -6.521 1.00 0.00 N ATOM 51333 N3 G B2389 33.477 67.767 -7.308 1.00 0.00 N ATOM 51334 C4 G B2389 32.492 66.873 -7.035 1.00 0.00 C ATOM 51335 P U B2390 30.851 66.558 -13.819 1.00 0.00 P ATOM 51336 O1P U B2390 32.318 66.387 -13.702 1.00 0.00 O ATOM 51337 O2P U B2390 30.383 67.932 -14.112 1.00 0.00 O ATOM 51338 O5* U B2390 30.162 65.379 -15.047 1.00 0.00 O ATOM 51339 C5* U B2390 30.211 65.261 -16.497 1.00 0.00 C ATOM 51340 C4* U B2390 29.807 63.798 -17.093 1.00 0.00 C ATOM 51341 O4* U B2390 29.036 62.951 -16.190 1.00 0.00 O ATOM 51342 C3* U B2390 29.166 63.563 -18.458 1.00 0.00 C ATOM 51343 O3* U B2390 29.646 64.250 -19.753 1.00 0.00 O ATOM 51344 C2* U B2390 28.799 62.080 -18.389 1.00 0.00 C ATOM 51345 O2* U B2390 29.945 61.273 -18.568 1.00 0.00 O ATOM 51346 C1* U B2390 28.373 61.937 -16.929 1.00 0.00 C ATOM 51347 N1 U B2390 26.702 62.086 -16.661 1.00 0.00 N ATOM 51348 C2 U B2390 25.901 61.068 -17.121 1.00 0.00 C ATOM 51349 O2 U B2390 26.336 60.111 -17.741 1.00 0.00 O ATOM 51350 N3 U B2390 24.557 61.194 -16.829 1.00 0.00 N ATOM 51351 C4 U B2390 23.962 62.229 -16.140 1.00 0.00 C ATOM 51352 O4 U B2390 22.742 62.230 -15.939 1.00 0.00 O ATOM 51353 C5 U B2390 24.880 63.249 -15.694 1.00 0.00 C ATOM 51354 C6 U B2390 26.192 63.152 -15.960 1.00 0.00 C ATOM 51355 P G B2391 31.094 63.641 -20.710 1.00 0.00 P ATOM 51356 O1P G B2391 31.068 62.175 -20.910 1.00 0.00 O ATOM 51357 O2P G B2391 32.354 64.195 -20.162 1.00 0.00 O ATOM 51358 O5* G B2391 30.607 64.496 -22.260 1.00 0.00 O ATOM 51359 C5* G B2391 30.195 64.580 -23.653 1.00 0.00 C ATOM 51360 C4* G B2391 31.210 65.332 -24.690 1.00 0.00 C ATOM 51361 O4* G B2391 32.631 65.019 -24.614 1.00 0.00 O ATOM 51362 C3* G B2391 30.966 65.573 -26.175 1.00 0.00 C ATOM 51363 O3* G B2391 29.656 65.814 -26.904 1.00 0.00 O ATOM 51364 C2* G B2391 32.261 66.256 -26.605 1.00 0.00 C ATOM 51365 O2* G B2391 32.279 67.611 -26.183 1.00 0.00 O ATOM 51366 C1* G B2391 33.293 65.519 -25.763 1.00 0.00 C ATOM 51367 N9 G B2391 34.058 64.205 -26.559 1.00 0.00 N ATOM 51368 C8 G B2391 34.334 64.041 -27.899 1.00 0.00 C ATOM 51369 N7 G B2391 34.895 62.891 -28.190 1.00 0.00 N ATOM 51370 C5 G B2391 35.001 62.257 -26.955 1.00 0.00 C ATOM 51371 C6 G B2391 35.527 60.975 -26.634 1.00 0.00 C ATOM 51372 O6 G B2391 36.019 60.134 -27.378 1.00 0.00 O ATOM 51373 N1 G B2391 35.437 60.719 -25.256 1.00 0.00 N ATOM 51374 C2 G B2391 34.910 61.582 -24.319 1.00 0.00 C ATOM 51375 N2 G B2391 34.920 61.156 -23.055 1.00 0.00 N ATOM 51376 N3 G B2391 34.421 62.782 -24.623 1.00 0.00 N ATOM 51377 C4 G B2391 34.490 63.048 -25.954 1.00 0.00 C ATOM 51378 P A B2392 28.748 67.344 -26.477 1.00 0.00 P ATOM 51379 O1P A B2392 29.435 68.088 -25.397 1.00 0.00 O ATOM 51380 O2P A B2392 27.320 67.037 -26.236 1.00 0.00 O ATOM 51381 O5* A B2392 28.995 68.204 -28.081 1.00 0.00 O ATOM 51382 C5* A B2392 28.924 69.492 -28.774 1.00 0.00 C ATOM 51383 C4* A B2392 27.771 70.515 -28.191 1.00 0.00 C ATOM 51384 O4* A B2392 27.012 69.915 -27.107 1.00 0.00 O ATOM 51385 C3* A B2392 28.021 71.946 -27.723 1.00 0.00 C ATOM 51386 O3* A B2392 28.516 73.028 -28.719 1.00 0.00 O ATOM 51387 C2* A B2392 26.724 72.273 -26.981 1.00 0.00 C ATOM 51388 O2* A B2392 25.677 72.539 -27.894 1.00 0.00 O ATOM 51389 C1* A B2392 26.408 70.929 -26.327 1.00 0.00 C ATOM 51390 N9 A B2392 26.956 70.774 -24.735 1.00 0.00 N ATOM 51391 C8 A B2392 27.570 69.693 -24.142 1.00 0.00 C ATOM 51392 N7 A B2392 27.999 69.926 -22.942 1.00 0.00 N ATOM 51393 C5 A B2392 27.659 71.251 -22.711 1.00 0.00 C ATOM 51394 C6 A B2392 27.847 72.103 -21.612 1.00 0.00 C ATOM 51395 N6 A B2392 28.456 71.717 -20.479 1.00 0.00 N ATOM 51396 N1 A B2392 27.388 73.361 -21.713 1.00 0.00 N ATOM 51397 C2 A B2392 26.781 73.734 -22.840 1.00 0.00 C ATOM 51398 N3 A B2392 26.552 73.033 -23.928 1.00 0.00 N ATOM 51399 C4 A B2392 27.025 71.777 -23.802 1.00 0.00 C ATOM 51400 P U B2393 28.082 74.784 -28.351 1.00 0.00 P ATOM 51401 O1P U B2393 28.434 75.154 -26.964 1.00 0.00 O ATOM 51402 O2P U B2393 26.704 75.099 -28.772 1.00 0.00 O ATOM 51403 O5* U B2393 29.280 75.493 -29.534 1.00 0.00 O ATOM 51404 C5* U B2393 30.374 76.426 -29.630 1.00 0.00 C ATOM 51405 C4* U B2393 31.537 76.077 -28.577 1.00 0.00 C ATOM 51406 O4* U B2393 31.104 75.478 -27.320 1.00 0.00 O ATOM 51407 C3* U B2393 32.964 75.568 -28.755 1.00 0.00 C ATOM 51408 O3* U B2393 33.659 76.650 -29.630 1.00 0.00 O ATOM 51409 C2* U B2393 33.478 75.548 -27.318 1.00 0.00 C ATOM 51410 O2* U B2393 33.789 76.859 -26.876 1.00 0.00 O ATOM 51411 C1* U B2393 32.235 75.101 -26.553 1.00 0.00 C ATOM 51412 N1 U B2393 32.149 73.442 -26.256 1.00 0.00 N ATOM 51413 C2 U B2393 32.983 72.940 -25.293 1.00 0.00 C ATOM 51414 O2 U B2393 33.854 73.610 -24.762 1.00 0.00 O ATOM 51415 N3 U B2393 32.792 71.617 -24.962 1.00 0.00 N ATOM 51416 C4 U B2393 31.843 70.772 -25.501 1.00 0.00 C ATOM 51417 O4 U B2393 31.765 69.600 -25.126 1.00 0.00 O ATOM 51418 C5 U B2393 31.005 71.388 -26.502 1.00 0.00 C ATOM 51419 C6 U B2393 31.173 72.674 -26.843 1.00 0.00 C ATOM 51420 P C B2394 35.291 77.446 -29.529 1.00 0.00 P ATOM 51421 O1P C B2394 36.355 76.420 -29.596 1.00 0.00 O ATOM 51422 O2P C B2394 35.523 78.558 -28.581 1.00 0.00 O ATOM 51423 O5* C B2394 34.699 78.152 -31.106 1.00 0.00 O ATOM 51424 C5* C B2394 33.235 78.241 -31.136 1.00 0.00 C ATOM 51425 C4* C B2394 32.471 79.357 -32.046 1.00 0.00 C ATOM 51426 O4* C B2394 31.579 80.302 -31.390 1.00 0.00 O ATOM 51427 C3* C B2394 33.343 80.236 -32.942 1.00 0.00 C ATOM 51428 O3* C B2394 34.150 79.103 -33.827 1.00 0.00 O ATOM 51429 C2* C B2394 32.358 81.305 -33.402 1.00 0.00 C ATOM 51430 O2* C B2394 31.493 80.798 -34.402 1.00 0.00 O ATOM 51431 C1* C B2394 31.518 81.505 -32.142 1.00 0.00 C ATOM 51432 N1 C B2394 32.036 82.815 -31.124 1.00 0.00 N ATOM 51433 C2 C B2394 31.326 84.012 -31.194 1.00 0.00 C ATOM 51434 O2 C B2394 30.386 84.100 -31.995 1.00 0.00 O ATOM 51435 N3 C B2394 31.689 85.037 -30.383 1.00 0.00 N ATOM 51436 C4 C B2394 32.710 84.904 -29.528 1.00 0.00 C ATOM 51437 N4 C B2394 33.029 85.930 -28.759 1.00 0.00 N ATOM 51438 C5 C B2394 33.452 83.679 -29.437 1.00 0.00 C ATOM 51439 C6 C B2394 33.077 82.666 -30.260 1.00 0.00 C ATOM 51440 P C B2395 33.179 77.858 -34.932 1.00 0.00 P ATOM 51441 O1P C B2395 33.647 77.233 -36.190 1.00 0.00 O ATOM 51442 O2P C B2395 32.224 78.978 -35.081 1.00 0.00 O ATOM 51443 O5* C B2395 32.550 76.736 -33.975 1.00 0.00 O ATOM 51444 C5* C B2395 31.965 77.138 -32.724 1.00 0.00 C ATOM 51445 C4* C B2395 31.326 75.945 -32.044 1.00 0.00 C ATOM 51446 O4* C B2395 30.173 75.520 -32.827 1.00 0.00 O ATOM 51447 C3* C B2395 32.190 74.685 -31.953 1.00 0.00 C ATOM 51448 O3* C B2395 33.037 74.729 -30.850 1.00 0.00 O ATOM 51449 C2* C B2395 31.140 73.583 -31.849 1.00 0.00 C ATOM 51450 O2* C B2395 30.585 73.539 -30.546 1.00 0.00 O ATOM 51451 C1* C B2395 30.049 74.107 -32.776 1.00 0.00 C ATOM 51452 N1 C B2395 30.147 73.588 -34.169 1.00 0.00 N ATOM 51453 C2 C B2395 29.774 72.266 -34.399 1.00 0.00 C ATOM 51454 O2 C B2395 29.379 71.586 -33.444 1.00 0.00 O ATOM 51455 N3 C B2395 29.857 71.774 -35.661 1.00 0.00 N ATOM 51456 C4 C B2395 30.289 72.546 -36.667 1.00 0.00 C ATOM 51457 N4 C B2395 30.351 72.017 -37.879 1.00 0.00 N ATOM 51458 C5 C B2395 30.680 73.905 -36.453 1.00 0.00 C ATOM 51459 C6 C B2395 30.590 74.377 -35.185 1.00 0.00 C ATOM 51460 P G B2396 34.512 74.035 -30.966 1.00 0.00 P ATOM 51461 O1P G B2396 35.380 74.493 -29.856 1.00 0.00 O ATOM 51462 O2P G B2396 35.046 74.239 -32.327 1.00 0.00 O ATOM 51463 O5* G B2396 34.135 72.493 -30.753 1.00 0.00 O ATOM 51464 C5* G B2396 33.516 72.090 -29.522 1.00 0.00 C ATOM 51465 C4* G B2396 33.136 70.622 -29.591 1.00 0.00 C ATOM 51466 O4* G B2396 32.067 70.457 -30.566 1.00 0.00 O ATOM 51467 C3* G B2396 34.230 69.673 -30.076 1.00 0.00 C ATOM 51468 O3* G B2396 35.081 69.297 -29.039 1.00 0.00 O ATOM 51469 C2* G B2396 33.419 68.502 -30.625 1.00 0.00 C ATOM 51470 O2* G B2396 32.915 67.702 -29.572 1.00 0.00 O ATOM 51471 C1* G B2396 32.225 69.220 -31.244 1.00 0.00 C ATOM 51472 N9 G B2396 32.387 69.511 -32.696 1.00 0.00 N ATOM 51473 C8 G B2396 32.645 70.711 -33.320 1.00 0.00 C ATOM 51474 N7 G B2396 32.733 70.626 -34.627 1.00 0.00 N ATOM 51475 C5 G B2396 32.516 69.272 -34.887 1.00 0.00 C ATOM 51476 C6 G B2396 32.489 68.572 -36.120 1.00 0.00 C ATOM 51477 O6 G B2396 32.653 69.005 -37.253 1.00 0.00 O ATOM 51478 N1 G B2396 32.236 67.207 -35.925 1.00 0.00 N ATOM 51479 C2 G B2396 32.036 66.599 -34.701 1.00 0.00 C ATOM 51480 N2 G B2396 31.807 65.284 -34.728 1.00 0.00 N ATOM 51481 N3 G B2396 32.061 67.258 -33.546 1.00 0.00 N ATOM 51482 C4 G B2396 32.304 68.586 -33.713 1.00 0.00 C ATOM 51483 P G B2397 36.659 69.038 -29.370 1.00 0.00 P ATOM 51484 O1P G B2397 37.449 69.015 -28.121 1.00 0.00 O ATOM 51485 O2P G B2397 37.111 70.000 -30.401 1.00 0.00 O ATOM 51486 O5* G B2397 36.594 67.566 -29.999 1.00 0.00 O ATOM 51487 C5* G B2397 36.094 66.486 -29.192 1.00 0.00 C ATOM 51488 C4* G B2397 36.003 65.218 -30.017 1.00 0.00 C ATOM 51489 O4* G B2397 34.967 65.383 -31.026 1.00 0.00 O ATOM 51490 C3* G B2397 37.251 64.865 -30.829 1.00 0.00 C ATOM 51491 O3* G B2397 38.184 64.172 -30.059 1.00 0.00 O ATOM 51492 C2* G B2397 36.669 64.012 -31.954 1.00 0.00 C ATOM 51493 O2* G B2397 36.358 62.709 -31.491 1.00 0.00 O ATOM 51494 C1* G B2397 35.343 64.718 -32.219 1.00 0.00 C ATOM 51495 N9 G B2397 35.411 65.731 -33.310 1.00 0.00 N ATOM 51496 C8 G B2397 35.417 67.105 -33.220 1.00 0.00 C ATOM 51497 N7 G B2397 35.486 67.716 -34.380 1.00 0.00 N ATOM 51498 C5 G B2397 35.528 66.669 -35.303 1.00 0.00 C ATOM 51499 C6 G B2397 35.610 66.700 -36.718 1.00 0.00 C ATOM 51500 O6 G B2397 35.657 67.674 -37.464 1.00 0.00 O ATOM 51501 N1 G B2397 35.630 65.408 -37.259 1.00 0.00 N ATOM 51502 C2 G B2397 35.582 64.237 -36.528 1.00 0.00 C ATOM 51503 N2 G B2397 35.613 63.103 -37.232 1.00 0.00 N ATOM 51504 N3 G B2397 35.508 64.209 -35.199 1.00 0.00 N ATOM 51505 C4 G B2397 35.485 65.455 -34.658 1.00 0.00 C ATOM 51506 P U B2398 39.772 64.405 -30.353 1.00 0.00 P ATOM 51507 O1P U B2398 40.582 63.892 -29.225 1.00 0.00 O ATOM 51508 O2P U B2398 40.002 65.822 -30.717 1.00 0.00 O ATOM 51509 O5* U B2398 39.982 63.474 -31.639 1.00 0.00 O ATOM 51510 C5* U B2398 39.719 62.064 -31.527 1.00 0.00 C ATOM 51511 C4* U B2398 39.858 61.404 -32.881 1.00 0.00 C ATOM 51512 O4* U B2398 38.782 61.869 -33.747 1.00 0.00 O ATOM 51513 C3* U B2398 41.130 61.742 -33.664 1.00 0.00 C ATOM 51514 O3* U B2398 42.198 60.934 -33.276 1.00 0.00 O ATOM 51515 C2* U B2398 40.697 61.494 -35.105 1.00 0.00 C ATOM 51516 O2* U B2398 40.654 60.103 -35.386 1.00 0.00 O ATOM 51517 C1* U B2398 39.252 61.983 -35.081 1.00 0.00 C ATOM 51518 N1 U B2398 39.094 63.403 -35.503 1.00 0.00 N ATOM 51519 C2 U B2398 39.223 63.678 -36.844 1.00 0.00 C ATOM 51520 O2 U B2398 39.455 62.816 -37.676 1.00 0.00 O ATOM 51521 N3 U B2398 39.072 65.003 -37.198 1.00 0.00 N ATOM 51522 C4 U B2398 38.809 66.054 -36.342 1.00 0.00 C ATOM 51523 O4 U B2398 38.696 67.202 -36.777 1.00 0.00 O ATOM 51524 C5 U B2398 38.694 65.667 -34.956 1.00 0.00 C ATOM 51525 C6 U B2398 38.835 64.386 -34.584 1.00 0.00 C ATOM 51526 P G B2399 43.702 61.566 -33.285 1.00 0.00 P ATOM 51527 O1P G B2399 44.624 60.704 -32.512 1.00 0.00 O ATOM 51528 O2P G B2399 43.645 62.984 -32.869 1.00 0.00 O ATOM 51529 O5* G B2399 44.056 61.475 -34.844 1.00 0.00 O ATOM 51530 C5* G B2399 44.079 60.182 -35.481 1.00 0.00 C ATOM 51531 C4* G B2399 44.308 60.342 -36.969 1.00 0.00 C ATOM 51532 O4* G B2399 43.142 60.981 -37.562 1.00 0.00 O ATOM 51533 C3* G B2399 45.471 61.252 -37.371 1.00 0.00 C ATOM 51534 O3* G B2399 46.682 60.568 -37.360 1.00 0.00 O ATOM 51535 C2* G B2399 45.056 61.701 -38.770 1.00 0.00 C ATOM 51536 O2* G B2399 45.279 60.668 -39.714 1.00 0.00 O ATOM 51537 C1* G B2399 43.544 61.842 -38.614 1.00 0.00 C ATOM 51538 N9 G B2399 43.107 63.225 -38.274 1.00 0.00 N ATOM 51539 C8 G B2399 42.655 63.722 -37.073 1.00 0.00 C ATOM 51540 N7 G B2399 42.345 64.996 -37.104 1.00 0.00 N ATOM 51541 C5 G B2399 42.609 65.369 -38.424 1.00 0.00 C ATOM 51542 C6 G B2399 42.469 66.625 -39.064 1.00 0.00 C ATOM 51543 O6 G B2399 42.074 67.691 -38.595 1.00 0.00 O ATOM 51544 N1 G B2399 42.853 66.559 -40.411 1.00 0.00 N ATOM 51545 C2 G B2399 43.313 65.426 -41.054 1.00 0.00 C ATOM 51546 N2 G B2399 43.628 65.570 -42.342 1.00 0.00 N ATOM 51547 N3 G B2399 43.444 64.247 -40.452 1.00 0.00 N ATOM 51548 C4 G B2399 43.076 64.294 -39.145 1.00 0.00 C ATOM 51549 P G B2400 48.035 61.374 -36.933 1.00 0.00 P ATOM 51550 O1P G B2400 49.126 60.422 -36.630 1.00 0.00 O ATOM 51551 O2P G B2400 47.713 62.347 -35.864 1.00 0.00 O ATOM 51552 O5* G B2400 48.362 62.154 -38.292 1.00 0.00 O ATOM 51553 C5* G B2400 48.618 61.394 -39.488 1.00 0.00 C ATOM 51554 C4* G B2400 48.777 62.329 -40.672 1.00 0.00 C ATOM 51555 O4* G B2400 47.493 62.960 -40.950 1.00 0.00 O ATOM 51556 C3* G B2400 49.731 63.508 -40.466 1.00 0.00 C ATOM 51557 O3* G B2400 51.054 63.145 -40.707 1.00 0.00 O ATOM 51558 C2* G B2400 49.204 64.524 -41.476 1.00 0.00 C ATOM 51559 O2* G B2400 49.599 64.178 -42.793 1.00 0.00 O ATOM 51560 C1* G B2400 47.699 64.293 -41.390 1.00 0.00 C ATOM 51561 N9 G B2400 47.007 65.203 -40.436 1.00 0.00 N ATOM 51562 C8 G B2400 46.496 64.930 -39.185 1.00 0.00 C ATOM 51563 N7 G B2400 45.945 65.964 -38.596 1.00 0.00 N ATOM 51564 C5 G B2400 46.101 66.995 -39.522 1.00 0.00 C ATOM 51565 C6 G B2400 45.702 68.354 -39.451 1.00 0.00 C ATOM 51566 O6 G B2400 45.118 68.940 -38.541 1.00 0.00 O ATOM 51567 N1 G B2400 46.057 69.054 -40.614 1.00 0.00 N ATOM 51568 C2 G B2400 46.713 68.512 -41.701 1.00 0.00 C ATOM 51569 N2 G B2400 46.963 69.344 -42.712 1.00 0.00 N ATOM 51570 N3 G B2400 47.086 67.236 -41.767 1.00 0.00 N ATOM 51571 C4 G B2400 46.746 66.543 -40.648 1.00 0.00 C ATOM 51572 P U B2401 52.233 63.849 -39.827 1.00 0.00 P ATOM 51573 O1P U B2401 53.497 63.087 -39.962 1.00 0.00 O ATOM 51574 O2P U B2401 51.754 64.065 -38.445 1.00 0.00 O ATOM 51575 O5* U B2401 52.368 65.256 -40.579 1.00 0.00 O ATOM 51576 C5* U B2401 52.738 65.273 -41.969 1.00 0.00 C ATOM 51577 C4* U B2401 52.685 66.689 -42.504 1.00 0.00 C ATOM 51578 O4* U B2401 51.295 67.131 -42.526 1.00 0.00 O ATOM 51579 C3* U B2401 53.393 67.747 -41.659 1.00 0.00 C ATOM 51580 O3* U B2401 54.755 67.802 -41.946 1.00 0.00 O ATOM 51581 C2* U B2401 52.655 69.023 -42.057 1.00 0.00 C ATOM 51582 O2* U B2401 53.079 69.471 -43.335 1.00 0.00 O ATOM 51583 C1* U B2401 51.227 68.515 -42.217 1.00 0.00 C ATOM 51584 N1 U B2401 50.394 68.671 -40.992 1.00 0.00 N ATOM 51585 C2 U B2401 49.969 69.939 -40.681 1.00 0.00 C ATOM 51586 O2 U B2401 50.241 70.914 -41.362 1.00 0.00 O ATOM 51587 N3 U B2401 49.199 70.044 -39.541 1.00 0.00 N ATOM 51588 C4 U B2401 48.833 69.015 -38.702 1.00 0.00 C ATOM 51589 O4 U B2401 48.140 69.232 -37.702 1.00 0.00 O ATOM 51590 C5 U B2401 49.330 67.718 -39.107 1.00 0.00 C ATOM 51591 C6 U B2401 50.078 67.588 -40.215 1.00 0.00 C ATOM 51592 P U B2402 55.797 68.160 -40.741 1.00 0.00 P ATOM 51593 O1P U B2402 57.180 67.813 -41.144 1.00 0.00 O ATOM 51594 O2P U B2402 55.321 67.549 -39.480 1.00 0.00 O ATOM 51595 O5* U B2402 55.639 69.749 -40.669 1.00 0.00 O ATOM 51596 C5* U B2402 55.964 70.538 -41.827 1.00 0.00 C ATOM 51597 C4* U B2402 55.623 71.993 -41.576 1.00 0.00 C ATOM 51598 O4* U B2402 54.175 72.128 -41.481 1.00 0.00 O ATOM 51599 C3* U B2402 56.132 72.581 -40.261 1.00 0.00 C ATOM 51600 O3* U B2402 57.453 73.019 -40.374 1.00 0.00 O ATOM 51601 C2* U B2402 55.152 73.726 -40.020 1.00 0.00 C ATOM 51602 O2* U B2402 55.448 74.829 -40.858 1.00 0.00 O ATOM 51603 C1* U B2402 53.846 73.124 -40.525 1.00 0.00 C ATOM 51604 N1 U B2402 53.030 72.480 -39.456 1.00 0.00 N ATOM 51605 C2 U B2402 52.372 73.314 -38.584 1.00 0.00 C ATOM 51606 O2 U B2402 52.432 74.531 -38.657 1.00 0.00 O ATOM 51607 N3 U B2402 51.626 72.682 -37.610 1.00 0.00 N ATOM 51608 C4 U B2402 51.488 71.321 -37.436 1.00 0.00 C ATOM 51609 O4 U B2402 50.791 70.873 -36.521 1.00 0.00 O ATOM 51610 C5 U B2402 52.216 70.528 -38.397 1.00 0.00 C ATOM 51611 C6 U B2402 52.949 71.115 -39.358 1.00 0.00 C ATOM 51612 P C B2403 58.433 72.892 -39.077 1.00 0.00 P ATOM 51613 O1P C B2403 59.847 73.052 -39.488 1.00 0.00 O ATOM 51614 O2P C B2403 58.116 71.650 -38.338 1.00 0.00 O ATOM 51615 O5* C B2403 57.971 74.163 -38.225 1.00 0.00 O ATOM 51616 C5* C B2403 58.109 75.477 -38.799 1.00 0.00 C ATOM 51617 C4* C B2403 57.498 76.514 -37.878 1.00 0.00 C ATOM 51618 O4* C B2403 56.052 76.318 -37.841 1.00 0.00 O ATOM 51619 C3* C B2403 57.915 76.431 -36.409 1.00 0.00 C ATOM 51620 O3* C B2403 59.120 77.090 -36.183 1.00 0.00 O ATOM 51621 C2* C B2403 56.737 77.094 -35.701 1.00 0.00 C ATOM 51622 O2* C B2403 56.795 78.503 -35.845 1.00 0.00 O ATOM 51623 C1* C B2403 55.560 76.609 -36.542 1.00 0.00 C ATOM 51624 N1 C B2403 54.911 75.377 -36.010 1.00 0.00 N ATOM 51625 C2 C B2403 54.111 75.502 -34.877 1.00 0.00 C ATOM 51626 O2 C B2403 53.975 76.620 -34.367 1.00 0.00 O ATOM 51627 N3 C B2403 53.513 74.391 -34.377 1.00 0.00 N ATOM 51628 C4 C B2403 53.686 73.200 -34.962 1.00 0.00 C ATOM 51629 N4 C B2403 53.077 72.147 -34.435 1.00 0.00 N ATOM 51630 C5 C B2403 54.504 73.050 -36.128 1.00 0.00 C ATOM 51631 C6 C B2403 55.095 74.172 -36.613 1.00 0.00 C ATOM 51632 P U B2404 60.141 76.500 -35.054 1.00 0.00 P ATOM 51633 O1P U B2404 61.485 77.098 -35.215 1.00 0.00 O ATOM 51634 O2P U B2404 60.088 75.021 -35.069 1.00 0.00 O ATOM 51635 O5* U B2404 59.461 77.053 -33.716 1.00 0.00 O ATOM 51636 C5* U B2404 59.327 78.477 -33.539 1.00 0.00 C ATOM 51637 C4* U B2404 58.546 78.767 -32.269 1.00 0.00 C ATOM 51638 O4* U B2404 57.171 78.326 -32.452 1.00 0.00 O ATOM 51639 C3* U B2404 59.011 78.025 -31.017 1.00 0.00 C ATOM 51640 O3* U B2404 60.069 78.683 -30.396 1.00 0.00 O ATOM 51641 C2* U B2404 57.743 78.012 -30.166 1.00 0.00 C ATOM 51642 O2* U B2404 57.520 79.281 -29.575 1.00 0.00 O ATOM 51643 C1* U B2404 56.662 77.822 -31.227 1.00 0.00 C ATOM 51644 N1 U B2404 56.277 76.398 -31.440 1.00 0.00 N ATOM 51645 C2 U B2404 55.509 75.805 -30.469 1.00 0.00 C ATOM 51646 O2 U B2404 55.141 76.392 -29.467 1.00 0.00 O ATOM 51647 N3 U B2404 55.172 74.487 -30.700 1.00 0.00 N ATOM 51648 C4 U B2404 55.535 73.730 -31.798 1.00 0.00 C ATOM 51649 O4 U B2404 55.171 72.556 -31.895 1.00 0.00 O ATOM 51650 C5 U B2404 56.343 74.436 -32.762 1.00 0.00 C ATOM 51651 C6 U B2404 56.684 75.720 -32.560 1.00 0.00 C ATOM 51652 P G B2405 60.929 77.083 -29.785 1.00 0.00 P ATOM 51653 O1P G B2405 60.859 77.071 -28.307 1.00 0.00 O ATOM 51654 O2P G B2405 62.287 77.027 -30.367 1.00 0.00 O ATOM 51655 O5* G B2405 59.942 75.583 -30.437 1.00 0.00 O ATOM 51656 C5* G B2405 59.202 74.212 -30.603 1.00 0.00 C ATOM 51657 C4* G B2405 59.770 72.925 -31.642 1.00 0.00 C ATOM 51658 O4* G B2405 60.939 73.529 -32.264 1.00 0.00 O ATOM 51659 C3* G B2405 59.237 71.971 -32.712 1.00 0.00 C ATOM 51660 O3* G B2405 58.472 70.571 -32.909 1.00 0.00 O ATOM 51661 C2* G B2405 59.521 72.740 -33.995 1.00 0.00 C ATOM 51662 O2* G B2405 58.580 73.788 -34.178 1.00 0.00 O ATOM 51663 C1* G B2405 60.860 73.400 -33.674 1.00 0.00 C ATOM 51664 N9 G B2405 62.252 72.519 -34.222 1.00 0.00 N ATOM 51665 C8 G B2405 62.975 72.671 -35.386 1.00 0.00 C ATOM 51666 N7 G B2405 64.061 71.933 -35.441 1.00 0.00 N ATOM 51667 C5 G B2405 64.050 71.239 -34.232 1.00 0.00 C ATOM 51668 C6 G B2405 64.969 70.289 -33.719 1.00 0.00 C ATOM 51669 O6 G B2405 65.995 69.851 -34.235 1.00 0.00 O ATOM 51670 N1 G B2405 64.580 69.836 -32.449 1.00 0.00 N ATOM 51671 C2 G B2405 63.454 70.251 -31.766 1.00 0.00 C ATOM 51672 N2 G B2405 63.261 69.694 -30.571 1.00 0.00 N ATOM 51673 N3 G B2405 62.591 71.137 -32.250 1.00 0.00 N ATOM 51674 C4 G B2405 62.953 71.592 -33.483 1.00 0.00 C ATOM 51675 P A B2406 57.283 70.341 -34.400 1.00 0.00 P ATOM 51676 O1P A B2406 57.619 71.393 -35.381 1.00 0.00 O ATOM 51677 O2P A B2406 55.914 70.381 -33.850 1.00 0.00 O ATOM 51678 O5* A B2406 57.395 68.670 -35.330 1.00 0.00 O ATOM 51679 C5* A B2406 56.656 67.668 -36.279 1.00 0.00 C ATOM 51680 C4* A B2406 57.319 67.132 -37.803 1.00 0.00 C ATOM 51681 O4* A B2406 58.471 68.025 -37.742 1.00 0.00 O ATOM 51682 C3* A B2406 57.940 65.756 -38.050 1.00 0.00 C ATOM 51683 O3* A B2406 56.897 64.434 -38.515 1.00 0.00 O ATOM 51684 C2* A B2406 59.120 66.089 -38.960 1.00 0.00 C ATOM 51685 O2* A B2406 58.675 66.347 -40.280 1.00 0.00 O ATOM 51686 C1* A B2406 59.586 67.419 -38.380 1.00 0.00 C ATOM 51687 N9 A B2406 60.852 67.296 -37.243 1.00 0.00 N ATOM 51688 C8 A B2406 60.762 67.140 -35.878 1.00 0.00 C ATOM 51689 N7 A B2406 61.896 67.261 -35.259 1.00 0.00 N ATOM 51690 C5 A B2406 62.801 67.521 -36.271 1.00 0.00 C ATOM 51691 C6 A B2406 64.190 67.749 -36.268 1.00 0.00 C ATOM 51692 N6 A B2406 64.932 67.762 -35.152 1.00 0.00 N ATOM 51693 N1 A B2406 64.785 67.973 -37.454 1.00 0.00 N ATOM 51694 C2 A B2406 64.041 67.964 -38.559 1.00 0.00 C ATOM 51695 N3 A B2406 62.746 67.761 -38.687 1.00 0.00 N ATOM 51696 C4 A B2406 62.176 67.539 -37.483 1.00 0.00 C ATOM 51697 P A B2407 56.207 63.434 -40.108 1.00 0.00 P ATOM 51698 O1P A B2407 57.423 63.239 -40.934 1.00 0.00 O ATOM 51699 O2P A B2407 55.159 64.294 -40.700 1.00 0.00 O ATOM 51700 O5* A B2407 55.587 62.013 -39.714 1.00 0.00 O ATOM 51701 C5* A B2407 54.811 61.295 -40.691 1.00 0.00 C ATOM 51702 C4* A B2407 54.431 59.931 -40.151 1.00 0.00 C ATOM 51703 O4* A B2407 55.638 59.122 -40.029 1.00 0.00 O ATOM 51704 C3* A B2407 53.835 59.914 -38.743 1.00 0.00 C ATOM 51705 O3* A B2407 52.467 60.168 -38.765 1.00 0.00 O ATOM 51706 C2* A B2407 54.162 58.498 -38.274 1.00 0.00 C ATOM 51707 O2* A B2407 53.290 57.554 -38.873 1.00 0.00 O ATOM 51708 C1* A B2407 55.541 58.281 -38.891 1.00 0.00 C ATOM 51709 N9 A B2407 56.664 58.616 -37.974 1.00 0.00 N ATOM 51710 C8 A B2407 57.509 59.703 -37.996 1.00 0.00 C ATOM 51711 N7 A B2407 58.397 59.704 -37.050 1.00 0.00 N ATOM 51712 C5 A B2407 58.133 58.541 -36.345 1.00 0.00 C ATOM 51713 C6 A B2407 58.730 57.961 -35.214 1.00 0.00 C ATOM 51714 N6 A B2407 59.769 58.508 -34.567 1.00 0.00 N ATOM 51715 N1 A B2407 58.221 56.797 -34.770 1.00 0.00 N ATOM 51716 C2 A B2407 57.189 56.259 -35.416 1.00 0.00 C ATOM 51717 N3 A B2407 56.550 56.706 -36.478 1.00 0.00 N ATOM 51718 C4 A B2407 57.080 57.874 -36.901 1.00 0.00 C ATOM 51719 P U B2408 51.797 60.989 -37.521 1.00 0.00 P ATOM 51720 O1P U B2408 50.449 61.474 -37.891 1.00 0.00 O ATOM 51721 O2P U B2408 52.745 62.021 -37.050 1.00 0.00 O ATOM 51722 O5* U B2408 51.673 59.826 -36.429 1.00 0.00 O ATOM 51723 C5* U B2408 50.868 58.673 -36.727 1.00 0.00 C ATOM 51724 C4* U B2408 50.992 57.649 -35.614 1.00 0.00 C ATOM 51725 O4* U B2408 52.344 57.113 -35.617 1.00 0.00 O ATOM 51726 C3* U B2408 50.813 58.185 -34.193 1.00 0.00 C ATOM 51727 O3* U B2408 49.466 58.254 -33.836 1.00 0.00 O ATOM 51728 C2* U B2408 51.590 57.166 -33.364 1.00 0.00 C ATOM 51729 O2* U B2408 50.848 55.969 -33.221 1.00 0.00 O ATOM 51730 C1* U B2408 52.764 56.853 -34.286 1.00 0.00 C ATOM 51731 N1 U B2408 53.976 57.677 -34.014 1.00 0.00 N ATOM 51732 C2 U B2408 54.702 57.368 -32.892 1.00 0.00 C ATOM 51733 O2 U B2408 54.397 56.467 -32.130 1.00 0.00 O ATOM 51734 N3 U B2408 55.817 58.155 -32.671 1.00 0.00 N ATOM 51735 C4 U B2408 56.251 59.198 -33.463 1.00 0.00 C ATOM 51736 O4 U B2408 57.268 59.831 -33.163 1.00 0.00 O ATOM 51737 C5 U B2408 55.424 59.448 -34.617 1.00 0.00 C ATOM 51738 C6 U B2408 54.333 58.697 -34.856 1.00 0.00 C ATOM 51739 P G B2409 48.974 59.458 -32.853 1.00 0.00 P ATOM 51740 O1P G B2409 47.500 59.583 -32.889 1.00 0.00 O ATOM 51741 O2P G B2409 49.731 60.691 -33.165 1.00 0.00 O ATOM 51742 O5* G B2409 49.433 58.889 -31.428 1.00 0.00 O ATOM 51743 C5* G B2409 48.883 57.641 -30.968 1.00 0.00 C ATOM 51744 C4* G B2409 49.546 57.233 -29.666 1.00 0.00 C ATOM 51745 O4* G B2409 50.940 56.899 -29.931 1.00 0.00 O ATOM 51746 C3* G B2409 49.623 58.315 -28.592 1.00 0.00 C ATOM 51747 O3* G B2409 48.447 58.384 -27.847 1.00 0.00 O ATOM 51748 C2* G B2409 50.818 57.854 -27.759 1.00 0.00 C ATOM 51749 O2* G B2409 50.459 56.766 -26.924 1.00 0.00 O ATOM 51750 C1* G B2409 51.747 57.300 -28.833 1.00 0.00 C ATOM 51751 N9 G B2409 52.743 58.285 -29.331 1.00 0.00 N ATOM 51752 C8 G B2409 52.774 58.964 -30.530 1.00 0.00 C ATOM 51753 N7 G B2409 53.802 59.770 -30.660 1.00 0.00 N ATOM 51754 C5 G B2409 54.499 59.615 -29.462 1.00 0.00 C ATOM 51755 C6 G B2409 55.697 60.230 -29.018 1.00 0.00 C ATOM 51756 O6 G B2409 56.403 61.051 -29.597 1.00 0.00 O ATOM 51757 N1 G B2409 56.057 59.782 -27.738 1.00 0.00 N ATOM 51758 C2 G B2409 55.350 58.866 -26.987 1.00 0.00 C ATOM 51759 N2 G B2409 55.857 58.573 -25.787 1.00 0.00 N ATOM 51760 N3 G B2409 54.224 58.290 -27.404 1.00 0.00 N ATOM 51761 C4 G B2409 53.862 58.711 -28.645 1.00 0.00 C ATOM 51762 P G B2410 47.953 59.836 -27.291 1.00 0.00 P ATOM 51763 O1P G B2410 46.539 59.767 -26.862 1.00 0.00 O ATOM 51764 O2P G B2410 48.274 60.880 -28.289 1.00 0.00 O ATOM 51765 O5* G B2410 48.899 60.003 -26.010 1.00 0.00 O ATOM 51766 C5* G B2410 48.816 59.033 -24.948 1.00 0.00 C ATOM 51767 C4* G B2410 49.879 59.313 -23.907 1.00 0.00 C ATOM 51768 O4* G B2410 51.189 59.053 -24.488 1.00 0.00 O ATOM 51769 C3* G B2410 49.971 60.760 -23.421 1.00 0.00 C ATOM 51770 O3* G B2410 49.054 61.017 -22.403 1.00 0.00 O ATOM 51771 C2* G B2410 51.418 60.844 -22.943 1.00 0.00 C ATOM 51772 O2* G B2410 51.574 60.202 -21.688 1.00 0.00 O ATOM 51773 C1* G B2410 52.135 59.979 -23.975 1.00 0.00 C ATOM 51774 N9 G B2410 52.692 60.749 -25.121 1.00 0.00 N ATOM 51775 C8 G B2410 52.235 60.835 -26.419 1.00 0.00 C ATOM 51776 N7 G B2410 52.959 61.605 -27.189 1.00 0.00 N ATOM 51777 C5 G B2410 53.969 62.068 -26.343 1.00 0.00 C ATOM 51778 C6 G B2410 55.051 62.945 -26.607 1.00 0.00 C ATOM 51779 O6 G B2410 55.356 63.501 -27.660 1.00 0.00 O ATOM 51780 N1 G B2410 55.836 63.146 -25.464 1.00 0.00 N ATOM 51781 C2 G B2410 55.599 62.581 -24.226 1.00 0.00 C ATOM 51782 N2 G B2410 56.463 62.901 -23.261 1.00 0.00 N ATOM 51783 N3 G B2410 54.580 61.762 -23.978 1.00 0.00 N ATOM 51784 C4 G B2410 53.813 61.552 -25.079 1.00 0.00 C ATOM 51785 P A B2411 49.128 61.339 -20.583 1.00 0.00 P ATOM 51786 O1P A B2411 50.422 61.045 -19.930 1.00 0.00 O ATOM 51787 O2P A B2411 47.940 60.695 -19.978 1.00 0.00 O ATOM 51788 O5* A B2411 48.895 63.154 -20.699 1.00 0.00 O ATOM 51789 C5* A B2411 49.322 64.487 -21.057 1.00 0.00 C ATOM 51790 C4* A B2411 49.854 64.447 -22.590 1.00 0.00 C ATOM 51791 O4* A B2411 49.379 63.256 -23.281 1.00 0.00 O ATOM 51792 C3* A B2411 49.749 65.551 -23.644 1.00 0.00 C ATOM 51793 O3* A B2411 48.659 66.684 -23.722 1.00 0.00 O ATOM 51794 C2* A B2411 50.117 64.804 -24.925 1.00 0.00 C ATOM 51795 O2* A B2411 51.513 64.591 -25.000 1.00 0.00 O ATOM 51796 C1* A B2411 49.470 63.445 -24.685 1.00 0.00 C ATOM 51797 N9 A B2411 47.930 63.275 -25.343 1.00 0.00 N ATOM 51798 C8 A B2411 46.821 62.687 -24.781 1.00 0.00 C ATOM 51799 N7 A B2411 45.820 62.565 -25.597 1.00 0.00 N ATOM 51800 C5 A B2411 46.286 63.112 -26.785 1.00 0.00 C ATOM 51801 C6 A B2411 45.692 63.285 -28.048 1.00 0.00 C ATOM 51802 N6 A B2411 44.439 62.905 -28.331 1.00 0.00 N ATOM 51803 N1 A B2411 46.436 63.863 -29.010 1.00 0.00 N ATOM 51804 C2 A B2411 47.680 64.235 -28.718 1.00 0.00 C ATOM 51805 N3 A B2411 48.339 64.128 -27.583 1.00 0.00 N ATOM 51806 C4 A B2411 47.569 63.544 -26.639 1.00 0.00 C ATOM 51807 P A B2412 48.144 67.104 -25.438 1.00 0.00 P ATOM 51808 O1P A B2412 46.720 66.841 -25.737 1.00 0.00 O ATOM 51809 O2P A B2412 49.117 66.563 -26.413 1.00 0.00 O ATOM 51810 O5* A B2412 48.377 68.677 -25.257 1.00 0.00 O ATOM 51811 C5* A B2412 48.085 69.284 -23.985 1.00 0.00 C ATOM 51812 C4* A B2412 48.495 70.743 -24.001 1.00 0.00 C ATOM 51813 O4* A B2412 49.949 70.825 -24.078 1.00 0.00 O ATOM 51814 C3* A B2412 48.015 71.557 -25.202 1.00 0.00 C ATOM 51815 O3* A B2412 46.719 72.032 -25.016 1.00 0.00 O ATOM 51816 C2* A B2412 49.051 72.679 -25.261 1.00 0.00 C ATOM 51817 O2* A B2412 48.803 73.646 -24.255 1.00 0.00 O ATOM 51818 C1* A B2412 50.325 71.942 -24.865 1.00 0.00 C ATOM 51819 N9 A B2412 51.114 71.442 -26.026 1.00 0.00 N ATOM 51820 C8 A B2412 51.252 70.153 -26.489 1.00 0.00 C ATOM 51821 N7 A B2412 52.018 70.048 -27.534 1.00 0.00 N ATOM 51822 C5 A B2412 52.421 71.350 -27.787 1.00 0.00 C ATOM 51823 C6 A B2412 53.248 71.913 -28.771 1.00 0.00 C ATOM 51824 N6 A B2412 53.852 71.193 -29.729 1.00 0.00 N ATOM 51825 N1 A B2412 53.441 73.244 -28.734 1.00 0.00 N ATOM 51826 C2 A B2412 52.841 73.954 -27.780 1.00 0.00 C ATOM 51827 N3 A B2412 52.048 73.540 -26.812 1.00 0.00 N ATOM 51828 C4 A B2412 51.875 72.206 -26.871 1.00 0.00 C ATOM 51829 P G B2413 45.736 72.160 -26.314 1.00 0.00 P ATOM 51830 O1P G B2413 44.330 72.318 -25.879 1.00 0.00 O ATOM 51831 O2P G B2413 45.999 71.039 -27.243 1.00 0.00 O ATOM 51832 O5* G B2413 46.261 73.531 -26.955 1.00 0.00 O ATOM 51833 C5* G B2413 46.184 74.738 -26.175 1.00 0.00 C ATOM 51834 C4* G B2413 46.846 75.879 -26.921 1.00 0.00 C ATOM 51835 O4* G B2413 48.279 75.625 -26.994 1.00 0.00 O ATOM 51836 C3* G B2413 46.428 76.049 -28.383 1.00 0.00 C ATOM 51837 O3* G B2413 45.257 76.796 -28.496 1.00 0.00 O ATOM 51838 C2* G B2413 47.640 76.762 -28.980 1.00 0.00 C ATOM 51839 O2* G B2413 47.649 78.133 -28.612 1.00 0.00 O ATOM 51840 C1* G B2413 48.789 76.096 -28.232 1.00 0.00 C ATOM 51841 N9 G B2413 49.381 74.937 -28.956 1.00 0.00 N ATOM 51842 C8 G B2413 49.252 73.590 -28.698 1.00 0.00 C ATOM 51843 N7 G B2413 49.909 72.822 -29.534 1.00 0.00 N ATOM 51844 C5 G B2413 50.517 73.723 -30.405 1.00 0.00 C ATOM 51845 C6 G B2413 51.361 73.486 -31.522 1.00 0.00 C ATOM 51846 O6 G B2413 51.752 72.415 -31.978 1.00 0.00 O ATOM 51847 N1 G B2413 51.757 74.688 -32.124 1.00 0.00 N ATOM 51848 C2 G B2413 51.386 75.951 -31.706 1.00 0.00 C ATOM 51849 N2 G B2413 51.872 76.972 -32.418 1.00 0.00 N ATOM 51850 N3 G B2413 50.595 76.171 -30.660 1.00 0.00 N ATOM 51851 C4 G B2413 50.201 75.016 -30.060 1.00 0.00 C ATOM 51852 P G B2414 44.215 76.441 -29.701 1.00 0.00 P ATOM 51853 O1P G B2414 42.898 77.067 -29.440 1.00 0.00 O ATOM 51854 O2P G B2414 44.199 74.978 -29.924 1.00 0.00 O ATOM 51855 O5* G B2414 44.923 77.169 -30.937 1.00 0.00 O ATOM 51856 C5* G B2414 45.127 78.592 -30.884 1.00 0.00 C ATOM 51857 C4* G B2414 45.922 79.049 -32.090 1.00 0.00 C ATOM 51858 O4* G B2414 47.276 78.521 -31.989 1.00 0.00 O ATOM 51859 C3* G B2414 45.429 78.537 -33.447 1.00 0.00 C ATOM 51860 O3* G B2414 44.405 79.337 -33.949 1.00 0.00 O ATOM 51861 C2* G B2414 46.699 78.603 -34.293 1.00 0.00 C ATOM 51862 O2* G B2414 46.981 79.939 -34.674 1.00 0.00 O ATOM 51863 C1* G B2414 47.764 78.195 -33.281 1.00 0.00 C ATOM 51864 N9 G B2414 48.080 76.740 -33.299 1.00 0.00 N ATOM 51865 C8 G B2414 47.731 75.760 -32.396 1.00 0.00 C ATOM 51866 N7 G B2414 48.172 74.566 -32.706 1.00 0.00 N ATOM 51867 C5 G B2414 48.863 74.765 -33.899 1.00 0.00 C ATOM 51868 C6 G B2414 49.560 73.841 -34.718 1.00 0.00 C ATOM 51869 O6 G B2414 49.715 72.633 -34.558 1.00 0.00 O ATOM 51870 N1 G B2414 50.117 74.471 -35.839 1.00 0.00 N ATOM 51871 C2 G B2414 50.013 75.816 -36.132 1.00 0.00 C ATOM 51872 N2 G B2414 50.617 76.223 -37.252 1.00 0.00 N ATOM 51873 N3 G B2414 49.357 76.683 -35.364 1.00 0.00 N ATOM 51874 C4 G B2414 48.812 76.089 -34.269 1.00 0.00 C ATOM 51875 P G B2415 43.224 78.632 -34.833 1.00 0.00 P ATOM 51876 O1P G B2415 42.066 79.545 -34.960 1.00 0.00 O ATOM 51877 O2P G B2415 42.929 77.293 -34.280 1.00 0.00 O ATOM 51878 O5* G B2415 43.954 78.486 -36.249 1.00 0.00 O ATOM 51879 C5* G B2415 44.412 79.672 -36.925 1.00 0.00 C ATOM 51880 C4* G B2415 45.180 79.292 -38.174 1.00 0.00 C ATOM 51881 O4* G B2415 46.420 78.636 -37.785 1.00 0.00 O ATOM 51882 C3* G B2415 44.499 78.276 -39.092 1.00 0.00 C ATOM 51883 O3* G B2415 43.598 78.892 -39.957 1.00 0.00 O ATOM 51884 C2* G B2415 45.688 77.658 -39.823 1.00 0.00 C ATOM 51885 O2* G B2415 46.174 78.534 -40.824 1.00 0.00 O ATOM 51886 C1* G B2415 46.739 77.615 -38.718 1.00 0.00 C ATOM 51887 N9 G B2415 46.789 76.320 -37.984 1.00 0.00 N ATOM 51888 C8 G B2415 46.339 76.020 -36.717 1.00 0.00 C ATOM 51889 N7 G B2415 46.533 74.771 -36.365 1.00 0.00 N ATOM 51890 C5 G B2415 47.154 74.204 -37.478 1.00 0.00 C ATOM 51891 C6 G B2415 47.608 72.878 -37.693 1.00 0.00 C ATOM 51892 O6 G B2415 47.556 71.913 -36.936 1.00 0.00 O ATOM 51893 N1 G B2415 48.179 72.735 -38.967 1.00 0.00 N ATOM 51894 C2 G B2415 48.296 73.740 -39.907 1.00 0.00 C ATOM 51895 N2 G B2415 48.872 73.400 -41.060 1.00 0.00 N ATOM 51896 N3 G B2415 47.870 74.984 -39.701 1.00 0.00 N ATOM 51897 C4 G B2415 47.312 75.142 -38.472 1.00 0.00 C ATOM 51898 P C B2416 42.246 78.085 -40.387 1.00 0.00 P ATOM 51899 O1P C B2416 41.264 79.013 -40.991 1.00 0.00 O ATOM 51900 O2P C B2416 41.756 77.291 -39.236 1.00 0.00 O ATOM 51901 O5* C B2416 42.823 77.105 -41.512 1.00 0.00 O ATOM 51902 C5* C B2416 43.432 77.673 -42.686 1.00 0.00 C ATOM 51903 C4* C B2416 44.020 76.574 -43.550 1.00 0.00 C ATOM 51904 O4* C B2416 45.150 75.977 -42.850 1.00 0.00 O ATOM 51905 C3* C B2416 43.096 75.391 -43.839 1.00 0.00 C ATOM 51906 O3* C B2416 42.257 75.647 -44.920 1.00 0.00 O ATOM 51907 C2* C B2416 44.094 74.269 -44.124 1.00 0.00 C ATOM 51908 O2* C B2416 44.651 74.409 -45.419 1.00 0.00 O ATOM 51909 C1* C B2416 45.207 74.588 -43.126 1.00 0.00 C ATOM 51910 N1 C B2416 45.079 73.858 -41.833 1.00 0.00 N ATOM 51911 C2 C B2416 45.389 72.500 -41.822 1.00 0.00 C ATOM 51912 O2 C B2416 45.756 71.963 -42.875 1.00 0.00 O ATOM 51913 N3 C B2416 45.280 71.815 -40.656 1.00 0.00 N ATOM 51914 C4 C B2416 44.877 72.434 -39.537 1.00 0.00 C ATOM 51915 N4 C B2416 44.788 71.723 -38.423 1.00 0.00 N ATOM 51916 C5 C B2416 44.552 73.829 -39.528 1.00 0.00 C ATOM 51917 C6 C B2416 44.670 74.495 -40.704 1.00 0.00 C ATOM 51918 P C B2417 40.749 75.013 -44.911 1.00 0.00 P ATOM 51919 O1P C B2417 39.908 75.682 -45.928 1.00 0.00 O ATOM 51920 O2P C B2417 40.221 75.022 -43.529 1.00 0.00 O ATOM 51921 O5* C B2417 41.055 73.510 -45.366 1.00 0.00 O ATOM 51922 C5* C B2417 41.662 73.278 -46.649 1.00 0.00 C ATOM 51923 C4* C B2417 41.972 71.804 -46.818 1.00 0.00 C ATOM 51924 O4* C B2417 43.029 71.436 -45.883 1.00 0.00 O ATOM 51925 C3* C B2417 40.834 70.841 -46.485 1.00 0.00 C ATOM 51926 O3* C B2417 39.970 70.677 -47.567 1.00 0.00 O ATOM 51927 C2* C B2417 41.589 69.562 -46.135 1.00 0.00 C ATOM 51928 O2* C B2417 42.058 68.917 -47.308 1.00 0.00 O ATOM 51929 C1* C B2417 42.812 70.115 -45.412 1.00 0.00 C ATOM 51930 N1 C B2417 42.656 70.177 -43.932 1.00 0.00 N ATOM 51931 C2 C B2417 42.721 68.979 -43.224 1.00 0.00 C ATOM 51932 O2 C B2417 42.902 67.927 -43.845 1.00 0.00 O ATOM 51933 N3 C B2417 42.582 69.015 -41.873 1.00 0.00 N ATOM 51934 C4 C B2417 42.386 70.176 -41.235 1.00 0.00 C ATOM 51935 N4 C B2417 42.259 70.155 -39.917 1.00 0.00 N ATOM 51936 C5 C B2417 42.318 71.417 -41.948 1.00 0.00 C ATOM 51937 C6 C B2417 42.459 71.361 -43.294 1.00 0.00 C ATOM 51938 P A B2418 38.381 70.441 -47.273 1.00 0.00 P ATOM 51939 O1P A B2418 37.596 70.656 -48.510 1.00 0.00 O ATOM 51940 O2P A B2418 37.971 71.246 -46.101 1.00 0.00 O ATOM 51941 O5* A B2418 38.374 68.888 -46.892 1.00 0.00 O ATOM 51942 C5* A B2418 38.826 67.927 -47.866 1.00 0.00 C ATOM 51943 C4* A B2418 38.854 66.541 -47.250 1.00 0.00 C ATOM 51944 O4* A B2418 39.897 66.495 -46.235 1.00 0.00 O ATOM 51945 C3* A B2418 37.590 66.120 -46.502 1.00 0.00 C ATOM 51946 O3* A B2418 36.629 65.604 -47.369 1.00 0.00 O ATOM 51947 C2* A B2418 38.129 65.072 -45.529 1.00 0.00 C ATOM 51948 O2* A B2418 38.380 63.848 -46.199 1.00 0.00 O ATOM 51949 C1* A B2418 39.484 65.664 -45.162 1.00 0.00 C ATOM 51950 N9 A B2418 39.458 66.491 -43.921 1.00 0.00 N ATOM 51951 C8 A B2418 39.517 67.861 -43.792 1.00 0.00 C ATOM 51952 N7 A B2418 39.474 68.277 -42.564 1.00 0.00 N ATOM 51953 C5 A B2418 39.377 67.112 -41.818 1.00 0.00 C ATOM 51954 C6 A B2418 39.294 66.873 -40.437 1.00 0.00 C ATOM 51955 N6 A B2418 39.291 67.850 -39.518 1.00 0.00 N ATOM 51956 N1 A B2418 39.211 65.591 -40.033 1.00 0.00 N ATOM 51957 C2 A B2418 39.212 64.627 -40.950 1.00 0.00 C ATOM 51958 N3 A B2418 39.286 64.728 -42.261 1.00 0.00 N ATOM 51959 C4 A B2418 39.369 66.021 -42.640 1.00 0.00 C ATOM 51960 P U B2419 35.051 65.862 -47.037 1.00 0.00 P ATOM 51961 O1P U B2419 34.222 65.572 -48.228 1.00 0.00 O ATOM 51962 O2P U B2419 34.886 67.209 -46.447 1.00 0.00 O ATOM 51963 O5* U B2419 34.796 64.747 -45.917 1.00 0.00 O ATOM 51964 C5* U B2419 34.992 63.361 -46.253 1.00 0.00 C ATOM 51965 C4* U B2419 34.817 62.499 -45.018 1.00 0.00 C ATOM 51966 O4* U B2419 35.912 62.769 -44.095 1.00 0.00 O ATOM 51967 C3* U B2419 33.561 62.767 -44.190 1.00 0.00 C ATOM 51968 O3* U B2419 32.459 62.082 -44.697 1.00 0.00 O ATOM 51969 C2* U B2419 33.976 62.270 -42.808 1.00 0.00 C ATOM 51970 O2* U B2419 33.954 60.855 -42.753 1.00 0.00 O ATOM 51971 C1* U B2419 35.443 62.692 -42.759 1.00 0.00 C ATOM 51972 N1 U B2419 35.662 64.017 -42.115 1.00 0.00 N ATOM 51973 C2 U B2419 35.544 64.077 -40.747 1.00 0.00 C ATOM 51974 O2 U B2419 35.270 63.105 -40.063 1.00 0.00 O ATOM 51975 N3 U B2419 35.754 65.322 -40.186 1.00 0.00 N ATOM 51976 C4 U B2419 36.068 66.482 -40.865 1.00 0.00 C ATOM 51977 O4 U B2419 36.232 67.540 -40.253 1.00 0.00 O ATOM 51978 C5 U B2419 36.172 66.319 -42.294 1.00 0.00 C ATOM 51979 C6 U B2419 35.970 65.120 -42.867 1.00 0.00 C ATOM 51980 P C B2420 30.984 62.773 -44.580 1.00 0.00 P ATOM 51981 O1P C B2420 30.025 62.090 -45.477 1.00 0.00 O ATOM 51982 O2P C B2420 31.111 64.235 -44.765 1.00 0.00 O ATOM 51983 O5* C B2420 30.620 62.449 -43.055 1.00 0.00 O ATOM 51984 C5* C B2420 30.537 61.076 -42.635 1.00 0.00 C ATOM 51985 C4* C B2420 30.309 61.004 -41.137 1.00 0.00 C ATOM 51986 O4* C B2420 31.503 61.488 -40.456 1.00 0.00 O ATOM 51987 C3* C B2420 29.188 61.893 -40.593 1.00 0.00 C ATOM 51988 O3* C B2420 27.944 61.277 -40.707 1.00 0.00 O ATOM 51989 C2* C B2420 29.616 62.089 -39.139 1.00 0.00 C ATOM 51990 O2* C B2420 29.343 60.930 -38.373 1.00 0.00 O ATOM 51991 C1* C B2420 31.132 62.186 -39.277 1.00 0.00 C ATOM 51992 N1 C B2420 31.638 63.581 -39.393 1.00 0.00 N ATOM 51993 C2 C B2420 31.643 64.369 -38.244 1.00 0.00 C ATOM 51994 O2 C B2420 31.234 63.878 -37.184 1.00 0.00 O ATOM 51995 N3 C B2420 32.100 65.644 -38.329 1.00 0.00 N ATOM 51996 C4 C B2420 32.534 66.138 -39.495 1.00 0.00 C ATOM 51997 N4 C B2420 32.971 67.388 -39.525 1.00 0.00 N ATOM 51998 C5 C B2420 32.537 65.346 -40.689 1.00 0.00 C ATOM 51999 C6 C B2420 32.076 64.075 -40.583 1.00 0.00 C ATOM 52000 P G B2421 26.633 62.202 -40.995 1.00 0.00 P ATOM 52001 O1P G B2421 25.499 61.360 -41.442 1.00 0.00 O ATOM 52002 O2P G B2421 27.004 63.315 -41.896 1.00 0.00 O ATOM 52003 O5* G B2421 26.338 62.766 -39.527 1.00 0.00 O ATOM 52004 C5* G B2421 26.042 61.840 -38.465 1.00 0.00 C ATOM 52005 C4* G B2421 25.923 62.578 -37.149 1.00 0.00 C ATOM 52006 O4* G B2421 27.232 63.096 -36.778 1.00 0.00 O ATOM 52007 C3* G B2421 25.026 63.818 -37.160 1.00 0.00 C ATOM 52008 O3* G B2421 23.687 63.482 -36.973 1.00 0.00 O ATOM 52009 C2* G B2421 25.594 64.634 -36.001 1.00 0.00 C ATOM 52010 O2* G B2421 25.180 64.098 -34.757 1.00 0.00 O ATOM 52011 C1* G B2421 27.088 64.351 -36.128 1.00 0.00 C ATOM 52012 N9 G B2421 27.826 65.370 -36.928 1.00 0.00 N ATOM 52013 C8 G B2421 28.328 65.275 -38.208 1.00 0.00 C ATOM 52014 N7 G B2421 28.929 66.363 -38.625 1.00 0.00 N ATOM 52015 C5 G B2421 28.819 67.240 -37.546 1.00 0.00 C ATOM 52016 C6 G B2421 29.278 68.573 -37.401 1.00 0.00 C ATOM 52017 O6 G B2421 29.891 69.269 -38.208 1.00 0.00 O ATOM 52018 N1 G B2421 28.950 69.094 -36.140 1.00 0.00 N ATOM 52019 C2 G B2421 28.267 68.413 -35.151 1.00 0.00 C ATOM 52020 N2 G B2421 28.052 69.084 -34.019 1.00 0.00 N ATOM 52021 N3 G B2421 27.834 67.161 -35.290 1.00 0.00 N ATOM 52022 C4 G B2421 28.144 66.641 -36.507 1.00 0.00 C ATOM 52023 P C B2422 22.941 62.402 -35.593 1.00 0.00 P ATOM 52024 O1P C B2422 22.280 61.257 -36.253 1.00 0.00 O ATOM 52025 O2P C B2422 22.066 63.285 -34.795 1.00 0.00 O ATOM 52026 O5* C B2422 24.242 61.696 -34.431 1.00 0.00 O ATOM 52027 C5* C B2422 24.715 60.682 -33.415 1.00 0.00 C ATOM 52028 C4* C B2422 23.943 60.450 -31.943 1.00 0.00 C ATOM 52029 O4* C B2422 22.630 61.076 -31.971 1.00 0.00 O ATOM 52030 C3* C B2422 23.710 59.138 -31.184 1.00 0.00 C ATOM 52031 O3* C B2422 24.836 58.330 -30.443 1.00 0.00 O ATOM 52032 C2* C B2422 22.668 59.552 -30.147 1.00 0.00 C ATOM 52033 O2* C B2422 23.270 60.289 -29.099 1.00 0.00 O ATOM 52034 C1* C B2422 21.817 60.537 -30.941 1.00 0.00 C ATOM 52035 N1 C B2422 20.425 59.858 -31.657 1.00 0.00 N ATOM 52036 C2 C B2422 19.545 59.153 -30.832 1.00 0.00 C ATOM 52037 O2 C B2422 19.817 59.038 -29.633 1.00 0.00 O ATOM 52038 N3 C B2422 18.429 58.613 -31.383 1.00 0.00 N ATOM 52039 C4 C B2422 18.172 58.760 -32.692 1.00 0.00 C ATOM 52040 N4 C B2422 17.065 58.216 -33.176 1.00 0.00 N ATOM 52041 C5 C B2422 19.057 59.481 -33.551 1.00 0.00 C ATOM 52042 C6 C B2422 20.176 60.006 -32.982 1.00 0.00 C ATOM 52043 P U B2423 24.609 56.487 -30.219 1.00 0.00 P ATOM 52044 O1P U B2423 25.827 55.805 -30.706 1.00 0.00 O ATOM 52045 O2P U B2423 23.336 56.063 -30.848 1.00 0.00 O ATOM 52046 O5* U B2423 24.510 56.222 -28.374 1.00 0.00 O ATOM 52047 C5* U B2423 24.210 55.211 -27.308 1.00 0.00 C ATOM 52048 C4* U B2423 25.488 54.378 -26.637 1.00 0.00 C ATOM 52049 O4* U B2423 26.696 55.142 -26.914 1.00 0.00 O ATOM 52050 C3* U B2423 25.664 53.930 -25.186 1.00 0.00 C ATOM 52051 O3* U B2423 24.944 52.558 -24.787 1.00 0.00 O ATOM 52052 C2* U B2423 27.168 53.676 -25.107 1.00 0.00 C ATOM 52053 O2* U B2423 27.502 52.447 -25.735 1.00 0.00 O ATOM 52054 C1* U B2423 27.715 54.790 -25.992 1.00 0.00 C ATOM 52055 N1 U B2423 28.189 56.199 -25.153 1.00 0.00 N ATOM 52056 C2 U B2423 29.485 56.241 -24.687 1.00 0.00 C ATOM 52057 O2 U B2423 30.255 55.303 -24.778 1.00 0.00 O ATOM 52058 N3 U B2423 29.862 57.439 -24.110 1.00 0.00 N ATOM 52059 C4 U B2423 29.076 58.565 -23.963 1.00 0.00 C ATOM 52060 O4 U B2423 29.530 59.580 -23.427 1.00 0.00 O ATOM 52061 C5 U B2423 27.734 58.412 -24.478 1.00 0.00 C ATOM 52062 C6 U B2423 27.341 57.268 -25.045 1.00 0.00 C ATOM 52063 P C B2424 23.989 52.277 -23.211 1.00 0.00 P ATOM 52064 O1P C B2424 22.551 52.405 -23.532 1.00 0.00 O ATOM 52065 O2P C B2424 24.486 53.145 -22.122 1.00 0.00 O ATOM 52066 O5* C B2424 24.331 50.483 -22.801 1.00 0.00 O ATOM 52067 C5* C B2424 24.136 49.195 -22.028 1.00 0.00 C ATOM 52068 C4* C B2424 24.794 49.222 -20.496 1.00 0.00 C ATOM 52069 O4* C B2424 24.907 50.657 -20.276 1.00 0.00 O ATOM 52070 C3* C B2424 24.392 48.670 -19.127 1.00 0.00 C ATOM 52071 O3* C B2424 24.887 47.228 -18.505 1.00 0.00 O ATOM 52072 C2* C B2424 25.173 49.575 -18.177 1.00 0.00 C ATOM 52073 O2* C B2424 26.544 49.210 -18.143 1.00 0.00 O ATOM 52074 C1* C B2424 25.092 50.923 -18.889 1.00 0.00 C ATOM 52075 N1 C B2424 23.802 51.945 -18.353 1.00 0.00 N ATOM 52076 C2 C B2424 24.098 52.931 -17.417 1.00 0.00 C ATOM 52077 O2 C B2424 25.262 53.040 -17.013 1.00 0.00 O ATOM 52078 N3 C B2424 23.098 53.734 -16.970 1.00 0.00 N ATOM 52079 C4 C B2424 21.847 53.583 -17.428 1.00 0.00 C ATOM 52080 N4 C B2424 20.907 54.388 -16.964 1.00 0.00 N ATOM 52081 C5 C B2424 21.519 52.577 -18.397 1.00 0.00 C ATOM 52082 C6 C B2424 22.536 51.786 -18.822 1.00 0.00 C ATOM 52083 P A B2425 23.974 46.102 -17.246 1.00 0.00 P ATOM 52084 O1P A B2425 23.852 44.813 -17.957 1.00 0.00 O ATOM 52085 O2P A B2425 22.702 46.762 -16.885 1.00 0.00 O ATOM 52086 O5* A B2425 24.874 45.607 -15.620 1.00 0.00 O ATOM 52087 C5* A B2425 25.271 44.512 -14.572 1.00 0.00 C ATOM 52088 C4* A B2425 24.594 44.210 -13.023 1.00 0.00 C ATOM 52089 O4* A B2425 23.259 44.788 -13.021 1.00 0.00 O ATOM 52090 C3* A B2425 24.441 42.925 -12.207 1.00 0.00 C ATOM 52091 O3* A B2425 25.511 41.853 -11.699 1.00 0.00 O ATOM 52092 C2* A B2425 23.428 43.344 -11.139 1.00 0.00 C ATOM 52093 O2* A B2425 24.048 44.145 -10.149 1.00 0.00 O ATOM 52094 C1* A B2425 22.510 44.266 -11.939 1.00 0.00 C ATOM 52095 N9 A B2425 21.132 43.520 -12.558 1.00 0.00 N ATOM 52096 C8 A B2425 20.885 42.179 -12.713 1.00 0.00 C ATOM 52097 N7 A B2425 19.793 41.916 -13.359 1.00 0.00 N ATOM 52098 C5 A B2425 19.268 43.161 -13.666 1.00 0.00 C ATOM 52099 C6 A B2425 18.114 43.568 -14.350 1.00 0.00 C ATOM 52100 N6 A B2425 17.229 42.711 -14.881 1.00 0.00 N ATOM 52101 N1 A B2425 17.897 44.888 -14.470 1.00 0.00 N ATOM 52102 C2 A B2425 18.776 45.741 -13.941 1.00 0.00 C ATOM 52103 N3 A B2425 19.886 45.482 -13.285 1.00 0.00 N ATOM 52104 C4 A B2425 20.079 44.152 -13.175 1.00 0.00 C ATOM 52105 P A B2426 25.868 41.468 -9.881 1.00 0.00 P ATOM 52106 O1P A B2426 24.798 42.008 -9.014 1.00 0.00 O ATOM 52107 O2P A B2426 27.234 41.961 -9.599 1.00 0.00 O ATOM 52108 O5* A B2426 25.888 39.603 -9.639 1.00 0.00 O ATOM 52109 C5* A B2426 25.899 38.509 -8.602 1.00 0.00 C ATOM 52110 C4* A B2426 27.271 38.277 -7.701 1.00 0.00 C ATOM 52111 O4* A B2426 28.053 39.506 -7.598 1.00 0.00 O ATOM 52112 C3* A B2426 27.548 37.555 -6.386 1.00 0.00 C ATOM 52113 O3* A B2426 27.220 36.058 -6.034 1.00 0.00 O ATOM 52114 C2* A B2426 29.013 37.901 -6.130 1.00 0.00 C ATOM 52115 O2* A B2426 29.865 37.133 -6.965 1.00 0.00 O ATOM 52116 C1* A B2426 29.079 39.338 -6.633 1.00 0.00 C ATOM 52117 N9 A B2426 28.879 40.522 -5.427 1.00 0.00 N ATOM 52118 C8 A B2426 29.374 41.805 -5.399 1.00 0.00 C ATOM 52119 N7 A B2426 28.920 42.523 -4.415 1.00 0.00 N ATOM 52120 C5 A B2426 28.072 41.664 -3.737 1.00 0.00 C ATOM 52121 C6 A B2426 27.273 41.822 -2.594 1.00 0.00 C ATOM 52122 N6 A B2426 27.212 42.964 -1.893 1.00 0.00 N ATOM 52123 N1 A B2426 26.551 40.764 -2.187 1.00 0.00 N ATOM 52124 C2 A B2426 26.616 39.633 -2.887 1.00 0.00 C ATOM 52125 N3 A B2426 27.316 39.365 -3.970 1.00 0.00 N ATOM 52126 C4 A B2426 28.037 40.441 -4.349 1.00 0.00 C ATOM 52127 P C B2427 28.284 34.982 -4.935 1.00 0.00 P ATOM 52128 O1P C B2427 27.929 35.224 -3.517 1.00 0.00 O ATOM 52129 O2P C B2427 29.716 35.124 -5.273 1.00 0.00 O ATOM 52130 O5* C B2427 27.738 33.275 -5.444 1.00 0.00 O ATOM 52131 C5* C B2427 27.664 31.811 -5.721 1.00 0.00 C ATOM 52132 C4* C B2427 28.702 31.328 -6.891 1.00 0.00 C ATOM 52133 O4* C B2427 29.611 32.357 -7.381 1.00 0.00 O ATOM 52134 C3* C B2427 29.007 30.122 -7.788 1.00 0.00 C ATOM 52135 O3* C B2427 27.953 28.959 -7.997 1.00 0.00 O ATOM 52136 C2* C B2427 29.285 30.787 -9.133 1.00 0.00 C ATOM 52137 O2* C B2427 28.076 31.197 -9.752 1.00 0.00 O ATOM 52138 C1* C B2427 30.018 32.054 -8.703 1.00 0.00 C ATOM 52139 N1 C B2427 31.717 31.935 -8.728 1.00 0.00 N ATOM 52140 C2 C B2427 32.395 32.542 -9.778 1.00 0.00 C ATOM 52141 O2 C B2427 31.735 33.128 -10.651 1.00 0.00 O ATOM 52142 N3 C B2427 33.748 32.476 -9.815 1.00 0.00 N ATOM 52143 C4 C B2427 34.425 31.829 -8.852 1.00 0.00 C ATOM 52144 N4 C B2427 35.744 31.790 -8.934 1.00 0.00 N ATOM 52145 C5 C B2427 33.750 31.199 -7.756 1.00 0.00 C ATOM 52146 C6 C B2427 32.395 31.277 -7.741 1.00 0.00 C ATOM 52147 P G B2428 27.929 28.075 -9.644 1.00 0.00 P ATOM 52148 O1P G B2428 29.097 27.174 -9.737 1.00 0.00 O ATOM 52149 O2P G B2428 27.759 29.025 -10.768 1.00 0.00 O ATOM 52150 O5* G B2428 26.367 27.087 -9.524 1.00 0.00 O ATOM 52151 C5* G B2428 26.002 25.816 -10.189 1.00 0.00 C ATOM 52152 C4* G B2428 26.809 24.552 -9.468 1.00 0.00 C ATOM 52153 O4* G B2428 27.722 25.204 -8.539 1.00 0.00 O ATOM 52154 C3* G B2428 26.074 23.528 -8.600 1.00 0.00 C ATOM 52155 O3* G B2428 25.333 22.311 -9.207 1.00 0.00 O ATOM 52156 C2* G B2428 27.172 23.071 -7.645 1.00 0.00 C ATOM 52157 O2* G B2428 28.068 22.184 -8.291 1.00 0.00 O ATOM 52158 C1* G B2428 27.932 24.375 -7.409 1.00 0.00 C ATOM 52159 N9 G B2428 27.448 25.242 -6.007 1.00 0.00 N ATOM 52160 C8 G B2428 26.893 26.496 -5.910 1.00 0.00 C ATOM 52161 N7 G B2428 26.694 26.898 -4.676 1.00 0.00 N ATOM 52162 C5 G B2428 27.148 25.826 -3.903 1.00 0.00 C ATOM 52163 C6 G B2428 27.186 25.671 -2.494 1.00 0.00 C ATOM 52164 O6 G B2428 26.828 26.462 -1.619 1.00 0.00 O ATOM 52165 N1 G B2428 27.723 24.427 -2.132 1.00 0.00 N ATOM 52166 C2 G B2428 28.159 23.458 -3.015 1.00 0.00 C ATOM 52167 N2 G B2428 28.640 22.338 -2.470 1.00 0.00 N ATOM 52168 N3 G B2428 28.121 23.608 -4.338 1.00 0.00 N ATOM 52169 C4 G B2428 27.606 24.811 -4.705 1.00 0.00 C ATOM 52170 P G B2429 25.571 21.653 -10.922 1.00 0.00 P ATOM 52171 O1P G B2429 25.840 22.722 -11.908 1.00 0.00 O ATOM 52172 O2P G B2429 24.411 20.774 -11.217 1.00 0.00 O ATOM 52173 O5* G B2429 27.055 20.584 -10.656 1.00 0.00 O ATOM 52174 C5* G B2429 27.628 19.575 -11.562 1.00 0.00 C ATOM 52175 C4* G B2429 29.062 18.859 -11.184 1.00 0.00 C ATOM 52176 O4* G B2429 29.816 19.515 -10.120 1.00 0.00 O ATOM 52177 C3* G B2429 29.129 17.377 -10.820 1.00 0.00 C ATOM 52178 O3* G B2429 28.901 16.637 -12.178 1.00 0.00 O ATOM 52179 C2* G B2429 30.539 17.249 -10.233 1.00 0.00 C ATOM 52180 O2* G B2429 31.515 17.244 -11.263 1.00 0.00 O ATOM 52181 C1* G B2429 30.676 18.578 -9.494 1.00 0.00 C ATOM 52182 N9 G B2429 30.279 18.513 -7.814 1.00 0.00 N ATOM 52183 C8 G B2429 29.321 17.756 -7.176 1.00 0.00 C ATOM 52184 N7 G B2429 29.179 18.035 -5.906 1.00 0.00 N ATOM 52185 C5 G B2429 30.110 19.050 -5.680 1.00 0.00 C ATOM 52186 C6 G B2429 30.423 19.760 -4.493 1.00 0.00 C ATOM 52187 O6 G B2429 29.933 19.638 -3.374 1.00 0.00 O ATOM 52188 N1 G B2429 31.431 20.705 -4.713 1.00 0.00 N ATOM 52189 C2 G B2429 32.059 20.930 -5.924 1.00 0.00 C ATOM 52190 N2 G B2429 33.003 21.883 -5.927 1.00 0.00 N ATOM 52191 N3 G B2429 31.765 20.266 -7.038 1.00 0.00 N ATOM 52192 C4 G B2429 30.784 19.346 -6.842 1.00 0.00 C ATOM 52193 P A B2430 28.742 14.826 -12.374 1.00 0.00 P ATOM 52194 O1P A B2430 28.506 14.489 -13.798 1.00 0.00 O ATOM 52195 O2P A B2430 27.775 14.252 -11.411 1.00 0.00 O ATOM 52196 O5* A B2430 30.502 14.456 -12.035 1.00 0.00 O ATOM 52197 C5* A B2430 30.981 13.091 -12.037 1.00 0.00 C ATOM 52198 C4* A B2430 31.747 12.426 -13.330 1.00 0.00 C ATOM 52199 O4* A B2430 32.864 12.995 -14.076 1.00 0.00 O ATOM 52200 C3* A B2430 31.782 10.941 -13.695 1.00 0.00 C ATOM 52201 O3* A B2430 30.478 10.116 -13.325 1.00 0.00 O ATOM 52202 C2* A B2430 32.220 10.977 -15.158 1.00 0.00 C ATOM 52203 O2* A B2430 31.142 11.365 -15.998 1.00 0.00 O ATOM 52204 C1* A B2430 33.211 12.138 -15.151 1.00 0.00 C ATOM 52205 N9 A B2430 34.847 11.679 -14.969 1.00 0.00 N ATOM 52206 C8 A B2430 35.521 11.349 -13.815 1.00 0.00 C ATOM 52207 N7 A B2430 36.712 10.874 -14.016 1.00 0.00 N ATOM 52208 C5 A B2430 36.851 10.889 -15.397 1.00 0.00 C ATOM 52209 C6 A B2430 37.897 10.507 -16.245 1.00 0.00 C ATOM 52210 N6 A B2430 39.066 10.008 -15.808 1.00 0.00 N ATOM 52211 N1 A B2430 37.705 10.652 -17.575 1.00 0.00 N ATOM 52212 C2 A B2430 36.545 11.144 -18.004 1.00 0.00 C ATOM 52213 N3 A B2430 35.498 11.531 -17.308 1.00 0.00 N ATOM 52214 C4 A B2430 35.718 11.376 -15.982 1.00 0.00 C ATOM 52215 P U B2431 28.904 10.238 -14.322 1.00 0.00 P ATOM 52216 O1P U B2431 29.200 9.904 -15.740 1.00 0.00 O ATOM 52217 O2P U B2431 28.237 11.539 -14.096 1.00 0.00 O ATOM 52218 O5* U B2431 27.847 8.878 -13.627 1.00 0.00 O ATOM 52219 C5* U B2431 26.431 8.497 -13.830 1.00 0.00 C ATOM 52220 C4* U B2431 26.073 6.908 -13.716 1.00 0.00 C ATOM 52221 O4* U B2431 26.450 6.199 -12.505 1.00 0.00 O ATOM 52222 C3* U B2431 24.721 6.303 -14.092 1.00 0.00 C ATOM 52223 O3* U B2431 24.262 6.514 -15.539 1.00 0.00 O ATOM 52224 C2* U B2431 24.909 4.841 -13.694 1.00 0.00 C ATOM 52225 O2* U B2431 25.708 4.156 -14.643 1.00 0.00 O ATOM 52226 C1* U B2431 25.742 4.972 -12.423 1.00 0.00 C ATOM 52227 N1 U B2431 24.841 4.969 -10.981 1.00 0.00 N ATOM 52228 C2 U B2431 24.323 3.766 -10.572 1.00 0.00 C ATOM 52229 O2 U B2431 24.450 2.740 -11.211 1.00 0.00 O ATOM 52230 N3 U B2431 23.641 3.794 -9.370 1.00 0.00 N ATOM 52231 C4 U B2431 23.442 4.896 -8.565 1.00 0.00 C ATOM 52232 O4 U B2431 22.813 4.794 -7.509 1.00 0.00 O ATOM 52233 C5 U B2431 24.018 6.114 -9.079 1.00 0.00 C ATOM 52234 C6 U B2431 24.687 6.119 -10.246 1.00 0.00 C ATOM 52235 P A B2432 22.637 5.809 -16.043 1.00 0.00 P ATOM 52236 O1P A B2432 22.491 5.933 -17.509 1.00 0.00 O ATOM 52237 O2P A B2432 21.528 6.364 -15.238 1.00 0.00 O ATOM 52238 O5* A B2432 22.963 4.062 -15.584 1.00 0.00 O ATOM 52239 C5* A B2432 22.449 2.697 -15.684 1.00 0.00 C ATOM 52240 C4* A B2432 23.452 1.647 -16.451 1.00 0.00 C ATOM 52241 O4* A B2432 24.813 2.167 -16.527 1.00 0.00 O ATOM 52242 C3* A B2432 23.639 0.175 -16.099 1.00 0.00 C ATOM 52243 O3* A B2432 22.518 -0.895 -16.144 1.00 0.00 O ATOM 52244 C2* A B2432 24.904 -0.184 -16.883 1.00 0.00 C ATOM 52245 O2* A B2432 24.614 -0.336 -18.257 1.00 0.00 O ATOM 52246 C1* A B2432 25.723 1.095 -16.742 1.00 0.00 C ATOM 52247 N9 A B2432 26.833 1.082 -15.479 1.00 0.00 N ATOM 52248 C8 A B2432 27.154 2.102 -14.613 1.00 0.00 C ATOM 52249 N7 A B2432 28.140 1.818 -13.816 1.00 0.00 N ATOM 52250 C5 A B2432 28.507 0.527 -14.173 1.00 0.00 C ATOM 52251 C6 A B2432 29.496 -0.342 -13.692 1.00 0.00 C ATOM 52252 N6 A B2432 30.344 -0.026 -12.705 1.00 0.00 N ATOM 52253 N1 A B2432 29.585 -1.551 -14.273 1.00 0.00 N ATOM 52254 C2 A B2432 28.740 -1.861 -15.254 1.00 0.00 C ATOM 52255 N3 A B2432 27.781 -1.135 -15.782 1.00 0.00 N ATOM 52256 C4 A B2432 27.711 0.073 -15.187 1.00 0.00 C ATOM 52257 P A B2433 21.886 -1.260 -14.442 1.00 0.00 P ATOM 52258 O1P A B2433 20.564 -0.620 -14.270 1.00 0.00 O ATOM 52259 O2P A B2433 22.930 -0.845 -13.472 1.00 0.00 O ATOM 52260 O5* A B2433 21.679 -3.100 -14.338 1.00 0.00 O ATOM 52261 C5* A B2433 21.459 -4.006 -13.179 1.00 0.00 C ATOM 52262 C4* A B2433 19.878 -4.429 -12.830 1.00 0.00 C ATOM 52263 O4* A B2433 19.045 -3.905 -13.904 1.00 0.00 O ATOM 52264 C3* A B2433 19.470 -5.903 -12.735 1.00 0.00 C ATOM 52265 O3* A B2433 19.947 -6.827 -11.604 1.00 0.00 O ATOM 52266 C2* A B2433 17.973 -5.839 -13.028 1.00 0.00 C ATOM 52267 O2* A B2433 17.259 -5.359 -11.905 1.00 0.00 O ATOM 52268 C1* A B2433 17.912 -4.744 -14.088 1.00 0.00 C ATOM 52269 N9 A B2433 17.919 -5.304 -15.681 1.00 0.00 N ATOM 52270 C8 A B2433 18.982 -5.379 -16.557 1.00 0.00 C ATOM 52271 N7 A B2433 18.636 -5.666 -17.774 1.00 0.00 N ATOM 52272 C5 A B2433 17.255 -5.798 -17.712 1.00 0.00 C ATOM 52273 C6 A B2433 16.292 -6.098 -18.686 1.00 0.00 C ATOM 52274 N6 A B2433 16.584 -6.333 -19.972 1.00 0.00 N ATOM 52275 N1 A B2433 15.006 -6.145 -18.289 1.00 0.00 N ATOM 52276 C2 A B2433 14.719 -5.910 -17.010 1.00 0.00 C ATOM 52277 N3 A B2433 15.532 -5.619 -16.016 1.00 0.00 N ATOM 52278 C4 A B2433 16.813 -5.579 -16.443 1.00 0.00 C ATOM 52279 P A B2434 19.617 -6.923 -9.783 1.00 0.00 P ATOM 52280 O1P A B2434 20.227 -8.251 -9.540 1.00 0.00 O ATOM 52281 O2P A B2434 18.334 -6.671 -9.096 1.00 0.00 O ATOM 52282 O5* A B2434 20.668 -5.773 -9.414 1.00 0.00 O ATOM 52283 C5* A B2434 22.049 -6.124 -9.218 1.00 0.00 C ATOM 52284 C4* A B2434 22.877 -4.873 -9.003 1.00 0.00 C ATOM 52285 O4* A B2434 22.905 -4.108 -10.242 1.00 0.00 O ATOM 52286 C3* A B2434 22.333 -3.880 -7.974 1.00 0.00 C ATOM 52287 O3* A B2434 22.713 -4.228 -6.679 1.00 0.00 O ATOM 52288 C2* A B2434 22.953 -2.565 -8.436 1.00 0.00 C ATOM 52289 O2* A B2434 24.322 -2.498 -8.073 1.00 0.00 O ATOM 52290 C1* A B2434 22.904 -2.719 -9.954 1.00 0.00 C ATOM 52291 N9 A B2434 21.692 -2.122 -10.578 1.00 0.00 N ATOM 52292 C8 A B2434 20.581 -2.752 -11.097 1.00 0.00 C ATOM 52293 N7 A B2434 19.688 -1.939 -11.571 1.00 0.00 N ATOM 52294 C5 A B2434 20.233 -0.681 -11.357 1.00 0.00 C ATOM 52295 C6 A B2434 19.766 0.615 -11.642 1.00 0.00 C ATOM 52296 N6 A B2434 18.590 0.863 -12.234 1.00 0.00 N ATOM 52297 N1 A B2434 20.557 1.646 -11.297 1.00 0.00 N ATOM 52298 C2 A B2434 21.725 1.392 -10.709 1.00 0.00 C ATOM 52299 N3 A B2434 22.264 0.233 -10.395 1.00 0.00 N ATOM 52300 C4 A B2434 21.451 -0.784 -10.752 1.00 0.00 C ATOM 52301 P A B2435 21.688 -3.914 -5.450 1.00 0.00 P ATOM 52302 O1P A B2435 22.089 -4.669 -4.240 1.00 0.00 O ATOM 52303 O2P A B2435 20.294 -4.124 -5.904 1.00 0.00 O ATOM 52304 O5* A B2435 21.954 -2.351 -5.227 1.00 0.00 O ATOM 52305 C5* A B2435 23.277 -1.915 -4.864 1.00 0.00 C ATOM 52306 C4* A B2435 23.330 -0.400 -4.828 1.00 0.00 C ATOM 52307 O4* A B2435 23.173 0.109 -6.183 1.00 0.00 O ATOM 52308 C3* A B2435 22.212 0.286 -4.044 1.00 0.00 C ATOM 52309 O3* A B2435 22.505 0.348 -2.686 1.00 0.00 O ATOM 52310 C2* A B2435 22.163 1.665 -4.699 1.00 0.00 C ATOM 52311 O2* A B2435 23.244 2.470 -4.256 1.00 0.00 O ATOM 52312 C1* A B2435 22.439 1.321 -6.161 1.00 0.00 C ATOM 52313 N9 A B2435 21.203 1.130 -6.971 1.00 0.00 N ATOM 52314 C8 A B2435 20.652 -0.039 -7.446 1.00 0.00 C ATOM 52315 N7 A B2435 19.562 0.131 -8.126 1.00 0.00 N ATOM 52316 C5 A B2435 19.369 1.506 -8.112 1.00 0.00 C ATOM 52317 C6 A B2435 18.375 2.327 -8.664 1.00 0.00 C ATOM 52318 N6 A B2435 17.341 1.862 -9.377 1.00 0.00 N ATOM 52319 N1 A B2435 18.486 3.653 -8.463 1.00 0.00 N ATOM 52320 C2 A B2435 19.517 4.113 -7.755 1.00 0.00 C ATOM 52321 N3 A B2435 20.500 3.444 -7.191 1.00 0.00 N ATOM 52322 C4 A B2435 20.364 2.121 -7.409 1.00 0.00 C ATOM 52323 P G B2436 21.278 0.237 -1.611 1.00 0.00 P ATOM 52324 O1P G B2436 21.805 -0.048 -0.259 1.00 0.00 O ATOM 52325 O2P G B2436 20.264 -0.712 -2.120 1.00 0.00 O ATOM 52326 O5* G B2436 20.698 1.727 -1.666 1.00 0.00 O ATOM 52327 C5* G B2436 21.554 2.824 -1.296 1.00 0.00 C ATOM 52328 C4* G B2436 20.843 4.140 -1.539 1.00 0.00 C ATOM 52329 O4* G B2436 20.672 4.325 -2.974 1.00 0.00 O ATOM 52330 C3* G B2436 19.424 4.246 -0.984 1.00 0.00 C ATOM 52331 O3* G B2436 19.428 4.615 0.362 1.00 0.00 O ATOM 52332 C2* G B2436 18.804 5.310 -1.884 1.00 0.00 C ATOM 52333 O2* G B2436 19.257 6.603 -1.521 1.00 0.00 O ATOM 52334 C1* G B2436 19.441 4.980 -3.232 1.00 0.00 C ATOM 52335 N9 G B2436 18.610 4.082 -4.082 1.00 0.00 N ATOM 52336 C8 G B2436 18.789 2.746 -4.368 1.00 0.00 C ATOM 52337 N7 G B2436 17.868 2.242 -5.156 1.00 0.00 N ATOM 52338 C5 G B2436 17.023 3.321 -5.410 1.00 0.00 C ATOM 52339 C6 G B2436 15.845 3.394 -6.199 1.00 0.00 C ATOM 52340 O6 G B2436 15.298 2.508 -6.850 1.00 0.00 O ATOM 52341 N1 G B2436 15.298 4.683 -6.181 1.00 0.00 N ATOM 52342 C2 G B2436 15.816 5.761 -5.490 1.00 0.00 C ATOM 52343 N2 G B2436 15.143 6.908 -5.604 1.00 0.00 N ATOM 52344 N3 G B2436 16.921 5.691 -4.752 1.00 0.00 N ATOM 52345 C4 G B2436 17.467 4.448 -4.757 1.00 0.00 C ATOM 52346 P G B2437 18.264 4.022 1.342 1.00 0.00 P ATOM 52347 O1P G B2437 18.640 4.219 2.760 1.00 0.00 O ATOM 52348 O2P G B2437 17.950 2.631 0.946 1.00 0.00 O ATOM 52349 O5* G B2437 17.039 4.980 0.968 1.00 0.00 O ATOM 52350 C5* G B2437 17.170 6.397 1.187 1.00 0.00 C ATOM 52351 C4* G B2437 15.951 7.118 0.652 1.00 0.00 C ATOM 52352 O4* G B2437 15.940 7.010 -0.802 1.00 0.00 O ATOM 52353 C3* G B2437 14.597 6.546 1.074 1.00 0.00 C ATOM 52354 O3* G B2437 14.205 7.026 2.323 1.00 0.00 O ATOM 52355 C2* G B2437 13.684 7.019 -0.053 1.00 0.00 C ATOM 52356 O2* G B2437 13.372 8.394 0.096 1.00 0.00 O ATOM 52357 C1* G B2437 14.603 6.900 -1.265 1.00 0.00 C ATOM 52358 N9 G B2437 14.474 5.606 -1.990 1.00 0.00 N ATOM 52359 C8 G B2437 15.333 4.530 -2.008 1.00 0.00 C ATOM 52360 N7 G B2437 14.920 3.532 -2.754 1.00 0.00 N ATOM 52361 C5 G B2437 13.703 3.981 -3.267 1.00 0.00 C ATOM 52362 C6 G B2437 12.789 3.340 -4.141 1.00 0.00 C ATOM 52363 O6 G B2437 12.862 2.227 -4.653 1.00 0.00 O ATOM 52364 N1 G B2437 11.679 4.153 -4.406 1.00 0.00 N ATOM 52365 C2 G B2437 11.479 5.422 -3.892 1.00 0.00 C ATOM 52366 N2 G B2437 10.354 6.033 -4.264 1.00 0.00 N ATOM 52367 N3 G B2437 12.338 6.021 -3.073 1.00 0.00 N ATOM 52368 C4 G B2437 13.423 5.244 -2.805 1.00 0.00 C ATOM 52369 P U B2438 13.350 6.046 3.309 1.00 0.00 P ATOM 52370 O1P U B2438 13.349 6.580 4.687 1.00 0.00 O ATOM 52371 O2P U B2438 13.831 4.653 3.158 1.00 0.00 O ATOM 52372 O5* U B2438 11.888 6.182 2.674 1.00 0.00 O ATOM 52373 C5* U B2438 11.262 7.478 2.633 1.00 0.00 C ATOM 52374 C4* U B2438 9.948 7.398 1.884 1.00 0.00 C ATOM 52375 O4* U B2438 10.221 7.121 0.481 1.00 0.00 O ATOM 52376 C3* U B2438 9.011 6.267 2.306 1.00 0.00 C ATOM 52377 O3* U B2438 8.238 6.626 3.408 1.00 0.00 O ATOM 52378 C2* U B2438 8.172 6.058 1.046 1.00 0.00 C ATOM 52379 O2* U B2438 7.204 7.085 0.911 1.00 0.00 O ATOM 52380 C1* U B2438 9.208 6.284 -0.052 1.00 0.00 C ATOM 52381 N1 U B2438 9.854 5.029 -0.531 1.00 0.00 N ATOM 52382 C2 U B2438 9.101 4.204 -1.332 1.00 0.00 C ATOM 52383 O2 U B2438 7.953 4.462 -1.657 1.00 0.00 O ATOM 52384 N3 U B2438 9.733 3.052 -1.757 1.00 0.00 N ATOM 52385 C4 U B2438 11.023 2.665 -1.454 1.00 0.00 C ATOM 52386 O4 U B2438 11.479 1.606 -1.892 1.00 0.00 O ATOM 52387 C5 U B2438 11.731 3.593 -0.605 1.00 0.00 C ATOM 52388 C6 U B2438 11.142 4.722 -0.179 1.00 0.00 C ATOM 52389 P A B2439 6.579 7.031 3.767 1.00 0.00 P ATOM 52390 O1P A B2439 6.434 8.503 3.706 1.00 0.00 O ATOM 52391 O2P A B2439 6.125 6.391 5.019 1.00 0.00 O ATOM 52392 O5* A B2439 6.151 6.100 2.179 1.00 0.00 O ATOM 52393 C5* A B2439 5.667 5.580 0.732 1.00 0.00 C ATOM 52394 C4* A B2439 5.446 6.446 -0.759 1.00 0.00 C ATOM 52395 O4* A B2439 6.541 6.772 -1.661 1.00 0.00 O ATOM 52396 C3* A B2439 4.270 7.259 -1.302 1.00 0.00 C ATOM 52397 O3* A B2439 2.841 7.490 -0.835 1.00 0.00 O ATOM 52398 C2* A B2439 4.954 8.542 -1.774 1.00 0.00 C ATOM 52399 O2* A B2439 5.285 9.374 -0.676 1.00 0.00 O ATOM 52400 C1* A B2439 6.268 7.995 -2.326 1.00 0.00 C ATOM 52401 N9 A B2439 6.267 7.706 -3.996 1.00 0.00 N ATOM 52402 C8 A B2439 6.980 6.760 -4.703 1.00 0.00 C ATOM 52403 N7 A B2439 6.905 6.901 -5.992 1.00 0.00 N ATOM 52404 C5 A B2439 6.087 8.009 -6.161 1.00 0.00 C ATOM 52405 C6 A B2439 5.617 8.673 -7.306 1.00 0.00 C ATOM 52406 N6 A B2439 5.924 8.296 -8.556 1.00 0.00 N ATOM 52407 N1 A B2439 4.824 9.744 -7.117 1.00 0.00 N ATOM 52408 C2 A B2439 4.526 10.114 -5.874 1.00 0.00 C ATOM 52409 N3 A B2439 4.905 9.572 -4.734 1.00 0.00 N ATOM 52410 C4 A B2439 5.694 8.501 -4.952 1.00 0.00 C ATOM 52411 P C B2440 2.050 8.968 -1.601 1.00 0.00 P ATOM 52412 O1P C B2440 2.961 9.885 -2.318 1.00 0.00 O ATOM 52413 O2P C B2440 1.142 9.596 -0.616 1.00 0.00 O ATOM 52414 O5* C B2440 1.283 7.929 -2.883 1.00 0.00 O ATOM 52415 C5* C B2440 0.086 7.250 -3.235 1.00 0.00 C ATOM 52416 C4* C B2440 -0.943 7.365 -2.000 1.00 0.00 C ATOM 52417 O4* C B2440 -0.917 8.588 -1.207 1.00 0.00 O ATOM 52418 C3* C B2440 -2.424 6.994 -2.059 1.00 0.00 C ATOM 52419 O3* C B2440 -2.825 5.668 -2.732 1.00 0.00 O ATOM 52420 C2* C B2440 -2.915 7.411 -0.675 1.00 0.00 C ATOM 52421 O2* C B2440 -2.515 6.471 0.303 1.00 0.00 O ATOM 52422 C1* C B2440 -2.102 8.681 -0.431 1.00 0.00 C ATOM 52423 N1 C B2440 -2.902 10.126 -0.846 1.00 0.00 N ATOM 52424 C2 C B2440 -4.286 10.166 -0.704 1.00 0.00 C ATOM 52425 O2 C B2440 -4.872 9.157 -0.293 1.00 0.00 O ATOM 52426 N3 C B2440 -4.945 11.305 -1.029 1.00 0.00 N ATOM 52427 C4 C B2440 -4.272 12.379 -1.471 1.00 0.00 C ATOM 52428 N4 C B2440 -4.960 13.468 -1.772 1.00 0.00 N ATOM 52429 C5 C B2440 -2.850 12.362 -1.620 1.00 0.00 C ATOM 52430 C6 C B2440 -2.210 11.210 -1.295 1.00 0.00 C ATOM 52431 P U B2441 -4.285 4.846 -1.964 1.00 0.00 P ATOM 52432 O1P U B2441 -5.499 5.691 -1.999 1.00 0.00 O ATOM 52433 O2P U B2441 -3.872 4.364 -0.625 1.00 0.00 O ATOM 52434 O5* U B2441 -4.457 3.604 -2.957 1.00 0.00 O ATOM 52435 C5* U B2441 -5.359 3.718 -4.071 1.00 0.00 C ATOM 52436 C4* U B2441 -5.272 2.481 -4.940 1.00 0.00 C ATOM 52437 O4* U B2441 -3.963 2.443 -5.575 1.00 0.00 O ATOM 52438 C3* U B2441 -5.363 1.143 -4.204 1.00 0.00 C ATOM 52439 O3* U B2441 -6.686 0.769 -3.985 1.00 0.00 O ATOM 52440 C2* U B2441 -4.637 0.203 -5.161 1.00 0.00 C ATOM 52441 O2* U B2441 -5.459 -0.124 -6.269 1.00 0.00 O ATOM 52442 C1* U B2441 -3.519 1.099 -5.687 1.00 0.00 C ATOM 52443 N1 U B2441 -2.243 0.971 -4.932 1.00 0.00 N ATOM 52444 C2 U B2441 -1.502 -0.166 -5.140 1.00 0.00 C ATOM 52445 O2 U B2441 -1.848 -1.051 -5.908 1.00 0.00 O ATOM 52446 N3 U B2441 -0.325 -0.248 -4.425 1.00 0.00 N ATOM 52447 C4 U B2441 0.160 0.689 -3.536 1.00 0.00 C ATOM 52448 O4 U B2441 1.230 0.502 -2.952 1.00 0.00 O ATOM 52449 C5 U B2441 -0.686 1.847 -3.383 1.00 0.00 C ATOM 52450 C6 U B2441 -1.838 1.954 -4.068 1.00 0.00 C ATOM 52451 P C B2442 -7.054 -0.052 -2.624 1.00 0.00 P ATOM 52452 O1P C B2442 -8.514 -0.033 -2.393 1.00 0.00 O ATOM 52453 O2P C B2442 -6.218 0.443 -1.505 1.00 0.00 O ATOM 52454 O5* C B2442 -6.589 -1.531 -3.032 1.00 0.00 O ATOM 52455 C5* C B2442 -7.214 -2.171 -4.159 1.00 0.00 C ATOM 52456 C4* C B2442 -6.539 -3.500 -4.438 1.00 0.00 C ATOM 52457 O4* C B2442 -5.185 -3.248 -4.912 1.00 0.00 O ATOM 52458 C3* C B2442 -6.346 -4.415 -3.230 1.00 0.00 C ATOM 52459 O3* C B2442 -7.487 -5.169 -2.971 1.00 0.00 O ATOM 52460 C2* C B2442 -5.161 -5.274 -3.667 1.00 0.00 C ATOM 52461 O2* C B2442 -5.572 -6.258 -4.601 1.00 0.00 O ATOM 52462 C1* C B2442 -4.317 -4.263 -4.435 1.00 0.00 C ATOM 52463 N1 C B2442 -3.263 -3.611 -3.604 1.00 0.00 N ATOM 52464 C2 C B2442 -2.141 -4.363 -3.266 1.00 0.00 C ATOM 52465 O2 C B2442 -2.066 -5.533 -3.670 1.00 0.00 O ATOM 52466 N3 C B2442 -1.171 -3.788 -2.511 1.00 0.00 N ATOM 52467 C4 C B2442 -1.289 -2.521 -2.098 1.00 0.00 C ATOM 52468 N4 C B2442 -0.316 -2.007 -1.363 1.00 0.00 N ATOM 52469 C5 C B2442 -2.434 -1.729 -2.434 1.00 0.00 C ATOM 52470 C6 C B2442 -3.394 -2.322 -3.190 1.00 0.00 C ATOM 52471 P C B2443 -8.747 -5.529 -0.896 1.00 0.00 P ATOM 52472 O1P C B2443 -9.798 -6.462 -0.434 1.00 0.00 O ATOM 52473 O2P C B2443 -9.077 -4.090 -0.804 1.00 0.00 O ATOM 52474 O5* C B2443 -7.381 -5.824 -0.118 1.00 0.00 O ATOM 52475 C5* C B2443 -6.827 -7.152 -0.159 1.00 0.00 C ATOM 52476 C4* C B2443 -5.479 -7.177 0.534 1.00 0.00 C ATOM 52477 O4* C B2443 -4.532 -6.400 -0.256 1.00 0.00 O ATOM 52478 C3* C B2443 -5.429 -6.522 1.914 1.00 0.00 C ATOM 52479 O3* C B2443 -5.841 -7.402 2.914 1.00 0.00 O ATOM 52480 C2* C B2443 -3.955 -6.141 2.031 1.00 0.00 C ATOM 52481 O2* C B2443 -3.164 -7.281 2.323 1.00 0.00 O ATOM 52482 C1* C B2443 -3.627 -5.726 0.602 1.00 0.00 C ATOM 52483 N1 C B2443 -3.765 -4.262 0.356 1.00 0.00 N ATOM 52484 C2 C B2443 -2.783 -3.423 0.876 1.00 0.00 C ATOM 52485 O2 C B2443 -1.848 -3.921 1.514 1.00 0.00 O ATOM 52486 N3 C B2443 -2.892 -2.086 0.663 1.00 0.00 N ATOM 52487 C4 C B2443 -3.922 -1.586 -0.033 1.00 0.00 C ATOM 52488 N4 C B2443 -3.979 -0.275 -0.212 1.00 0.00 N ATOM 52489 C5 C B2443 -4.940 -2.432 -0.575 1.00 0.00 C ATOM 52490 C6 C B2443 -4.815 -3.767 -0.350 1.00 0.00 C ATOM 52491 P G B2444 -6.638 -6.805 4.207 1.00 0.00 P ATOM 52492 O1P G B2444 -7.301 -7.899 4.950 1.00 0.00 O ATOM 52493 O2P G B2444 -7.519 -5.698 3.772 1.00 0.00 O ATOM 52494 O5* G B2444 -5.422 -6.225 5.067 1.00 0.00 O ATOM 52495 C5* G B2444 -4.392 -7.123 5.517 1.00 0.00 C ATOM 52496 C4* G B2444 -3.286 -6.347 6.201 1.00 0.00 C ATOM 52497 O4* G B2444 -2.600 -5.532 5.206 1.00 0.00 O ATOM 52498 C3* G B2444 -3.734 -5.333 7.259 1.00 0.00 C ATOM 52499 O3* G B2444 -3.928 -5.941 8.493 1.00 0.00 O ATOM 52500 C2* G B2444 -2.574 -4.342 7.263 1.00 0.00 C ATOM 52501 O2* G B2444 -1.461 -4.876 7.959 1.00 0.00 O ATOM 52502 C1* G B2444 -2.196 -4.299 5.785 1.00 0.00 C ATOM 52503 N9 G B2444 -2.856 -3.198 5.030 1.00 0.00 N ATOM 52504 C8 G B2444 -3.893 -3.262 4.127 1.00 0.00 C ATOM 52505 N7 G B2444 -4.244 -2.097 3.633 1.00 0.00 N ATOM 52506 C5 G B2444 -3.376 -1.201 4.256 1.00 0.00 C ATOM 52507 C6 G B2444 -3.273 0.208 4.126 1.00 0.00 C ATOM 52508 O6 G B2444 -3.934 0.967 3.423 1.00 0.00 O ATOM 52509 N1 G B2444 -2.254 0.724 4.940 1.00 0.00 N ATOM 52510 C2 G B2444 -1.446 -0.024 5.772 1.00 0.00 C ATOM 52511 N2 G B2444 -0.533 0.657 6.469 1.00 0.00 N ATOM 52512 N3 G B2444 -1.545 -1.346 5.895 1.00 0.00 N ATOM 52513 C4 G B2444 -2.527 -1.864 5.109 1.00 0.00 C ATOM 52514 P G B2445 -5.107 -5.373 9.470 1.00 0.00 P ATOM 52515 O1P G B2445 -5.399 -6.352 10.542 1.00 0.00 O ATOM 52516 O2P G B2445 -6.267 -4.953 8.651 1.00 0.00 O ATOM 52517 O5* G B2445 -4.386 -4.088 10.093 1.00 0.00 O ATOM 52518 C5* G B2445 -3.179 -4.265 10.857 1.00 0.00 C ATOM 52519 C4* G B2445 -2.605 -2.916 11.241 1.00 0.00 C ATOM 52520 O4* G B2445 -2.136 -2.244 10.036 1.00 0.00 O ATOM 52521 C3* G B2445 -3.590 -1.922 11.857 1.00 0.00 C ATOM 52522 O3* G B2445 -3.741 -2.132 13.227 1.00 0.00 O ATOM 52523 C2* G B2445 -2.936 -0.580 11.531 1.00 0.00 C ATOM 52524 O2* G B2445 -1.842 -0.335 12.396 1.00 0.00 O ATOM 52525 C1* G B2445 -2.359 -0.849 10.145 1.00 0.00 C ATOM 52526 N9 G B2445 -3.261 -0.436 9.034 1.00 0.00 N ATOM 52527 C8 G B2445 -4.016 -1.221 8.189 1.00 0.00 C ATOM 52528 N7 G B2445 -4.707 -0.540 7.306 1.00 0.00 N ATOM 52529 C5 G B2445 -4.385 0.786 7.584 1.00 0.00 C ATOM 52530 C6 G B2445 -4.826 1.983 6.959 1.00 0.00 C ATOM 52531 O6 G B2445 -5.600 2.120 6.019 1.00 0.00 O ATOM 52532 N1 G B2445 -4.252 3.114 7.558 1.00 0.00 N ATOM 52533 C2 G B2445 -3.367 3.091 8.620 1.00 0.00 C ATOM 52534 N2 G B2445 -2.931 4.279 9.048 1.00 0.00 N ATOM 52535 N3 G B2445 -2.955 1.967 9.204 1.00 0.00 N ATOM 52536 C4 G B2445 -3.502 0.861 8.635 1.00 0.00 C ATOM 52537 P G B2446 -5.194 -1.850 13.910 1.00 0.00 P ATOM 52538 O1P G B2446 -5.258 -2.467 15.254 1.00 0.00 O ATOM 52539 O2P G B2446 -6.268 -2.248 12.968 1.00 0.00 O ATOM 52540 O5* G B2446 -5.160 -0.256 14.046 1.00 0.00 O ATOM 52541 C5* G B2446 -4.132 0.354 14.848 1.00 0.00 C ATOM 52542 C4* G B2446 -4.212 1.862 14.734 1.00 0.00 C ATOM 52543 O4* G B2446 -3.848 2.253 13.379 1.00 0.00 O ATOM 52544 C3* G B2446 -5.600 2.474 14.933 1.00 0.00 C ATOM 52545 O3* G B2446 -5.888 2.662 16.282 1.00 0.00 O ATOM 52546 C2* G B2446 -5.484 3.787 14.164 1.00 0.00 C ATOM 52547 O2* G B2446 -4.739 4.739 14.906 1.00 0.00 O ATOM 52548 C1* G B2446 -4.618 3.373 12.977 1.00 0.00 C ATOM 52549 N9 G B2446 -5.402 2.987 11.771 1.00 0.00 N ATOM 52550 C8 G B2446 -5.632 1.732 11.251 1.00 0.00 C ATOM 52551 N7 G B2446 -6.370 1.732 10.167 1.00 0.00 N ATOM 52552 C5 G B2446 -6.654 3.082 9.958 1.00 0.00 C ATOM 52553 C6 G B2446 -7.414 3.709 8.940 1.00 0.00 C ATOM 52554 O6 G B2446 -8.006 3.194 7.993 1.00 0.00 O ATOM 52555 N1 G B2446 -7.444 5.099 9.105 1.00 0.00 N ATOM 52556 C2 G B2446 -6.819 5.795 10.124 1.00 0.00 C ATOM 52557 N2 G B2446 -6.968 7.122 10.106 1.00 0.00 N ATOM 52558 N3 G B2446 -6.107 5.205 11.079 1.00 0.00 N ATOM 52559 C4 G B2446 -6.067 3.852 10.932 1.00 0.00 C ATOM 52560 P G B2447 -7.430 2.490 16.789 1.00 0.00 P ATOM 52561 O1P G B2447 -7.470 2.365 18.264 1.00 0.00 O ATOM 52562 O2P G B2447 -8.078 1.398 16.031 1.00 0.00 O ATOM 52563 O5* G B2447 -8.050 3.898 16.347 1.00 0.00 O ATOM 52564 C5* G B2447 -7.501 5.107 16.900 1.00 0.00 C ATOM 52565 C4* G B2447 -8.148 6.315 16.253 1.00 0.00 C ATOM 52566 O4* G B2447 -7.740 6.376 14.854 1.00 0.00 O ATOM 52567 C3* G B2447 -9.675 6.296 16.189 1.00 0.00 C ATOM 52568 O3* G B2447 -10.242 6.759 17.378 1.00 0.00 O ATOM 52569 C2* G B2447 -9.957 7.219 15.005 1.00 0.00 C ATOM 52570 O2* G B2447 -9.790 8.576 15.372 1.00 0.00 O ATOM 52571 C1* G B2447 -8.810 6.867 14.063 1.00 0.00 C ATOM 52572 N9 G B2447 -9.157 5.824 13.063 1.00 0.00 N ATOM 52573 C8 G B2447 -8.778 4.500 13.017 1.00 0.00 C ATOM 52574 N7 G B2447 -9.260 3.839 11.990 1.00 0.00 N ATOM 52575 C5 G B2447 -10.011 4.794 11.307 1.00 0.00 C ATOM 52576 C6 G B2447 -10.771 4.677 10.114 1.00 0.00 C ATOM 52577 O6 G B2447 -10.942 3.691 9.402 1.00 0.00 O ATOM 52578 N1 G B2447 -11.375 5.894 9.772 1.00 0.00 N ATOM 52579 C2 G B2447 -11.262 7.069 10.487 1.00 0.00 C ATOM 52580 N2 G B2447 -11.918 8.123 9.994 1.00 0.00 N ATOM 52581 N3 G B2447 -10.549 7.179 11.606 1.00 0.00 N ATOM 52582 C4 G B2447 -9.956 6.007 11.952 1.00 0.00 C ATOM 52583 P A B2448 -9.311 7.847 18.644 1.00 0.00 P ATOM 52584 O1P A B2448 -10.250 8.954 18.942 1.00 0.00 O ATOM 52585 O2P A B2448 -7.988 8.252 18.114 1.00 0.00 O ATOM 52586 O5* A B2448 -8.935 6.915 20.246 1.00 0.00 O ATOM 52587 C5* A B2448 -8.203 7.276 21.539 1.00 0.00 C ATOM 52588 C4* A B2448 -7.706 6.081 22.626 1.00 0.00 C ATOM 52589 O4* A B2448 -7.579 4.931 21.741 1.00 0.00 O ATOM 52590 C3* A B2448 -6.493 5.969 23.549 1.00 0.00 C ATOM 52591 O3* A B2448 -6.568 6.488 25.078 1.00 0.00 O ATOM 52592 C2* A B2448 -6.365 4.459 23.727 1.00 0.00 C ATOM 52593 O2* A B2448 -7.346 3.973 24.628 1.00 0.00 O ATOM 52594 C1* A B2448 -6.747 3.955 22.338 1.00 0.00 C ATOM 52595 N9 A B2448 -5.429 3.666 21.299 1.00 0.00 N ATOM 52596 C8 A B2448 -5.261 4.084 19.996 1.00 0.00 C ATOM 52597 N7 A B2448 -4.240 3.549 19.399 1.00 0.00 N ATOM 52598 C5 A B2448 -3.689 2.717 20.363 1.00 0.00 C ATOM 52599 C6 A B2448 -2.571 1.865 20.350 1.00 0.00 C ATOM 52600 N6 A B2448 -1.779 1.701 19.282 1.00 0.00 N ATOM 52601 N1 A B2448 -2.300 1.178 21.477 1.00 0.00 N ATOM 52602 C2 A B2448 -3.094 1.348 22.535 1.00 0.00 C ATOM 52603 N3 A B2448 -4.157 2.116 22.668 1.00 0.00 N ATOM 52604 C4 A B2448 -4.406 2.786 21.523 1.00 0.00 C HETATM52605 N1 5MU B2449 -2.746 3.266 24.620 1.00 0.00 N HETATM52606 C2 5MU B2449 -2.969 4.037 23.504 1.00 0.00 C HETATM52607 N3 5MU B2449 -1.931 4.083 22.595 1.00 0.00 N HETATM52608 C4 5MU B2449 -0.715 3.437 22.707 1.00 0.00 C HETATM52609 C5 5MU B2449 -0.577 2.650 23.908 1.00 0.00 C HETATM52610 C5M 5MU B2449 0.726 1.894 24.122 1.00 0.00 C HETATM52611 C6 5MU B2449 -1.573 2.590 24.810 1.00 0.00 C HETATM52612 O2 5MU B2449 -4.010 4.642 23.317 1.00 0.00 O HETATM52613 O4 5MU B2449 0.138 3.556 21.824 1.00 0.00 O HETATM52614 C1* 5MU B2449 -3.845 3.190 25.625 1.00 0.00 C HETATM52615 C2* 5MU B2449 -4.031 1.801 26.224 1.00 0.00 C HETATM52616 O2* 5MU B2449 -5.406 1.676 26.554 1.00 0.00 O HETATM52617 C3* 5MU B2449 -3.176 1.890 27.485 1.00 0.00 C HETATM52618 C4* 5MU B2449 -3.420 3.332 27.933 1.00 0.00 C HETATM52619 O3* 5MU B2449 -3.167 0.872 28.757 1.00 0.00 O HETATM52620 O4* 5MU B2449 -3.524 4.075 26.685 1.00 0.00 O HETATM52621 C5* 5MU B2449 -4.806 4.145 28.293 1.00 0.00 C HETATM52622 O5* 5MU B2449 -5.173 5.370 27.387 1.00 0.00 O HETATM52623 P 5MU B2449 -5.241 6.422 26.078 1.00 0.00 P HETATM52624 O1P 5MU B2449 -4.227 5.903 25.133 1.00 0.00 O HETATM52625 O2P 5MU B2449 -5.049 7.820 26.522 1.00 0.00 O ATOM 52626 P A B2450 -1.810 0.354 30.042 1.00 0.00 P ATOM 52627 O1P A B2450 -0.517 0.990 29.711 1.00 0.00 O ATOM 52628 O2P A B2450 -1.810 -1.130 30.071 1.00 0.00 O ATOM 52629 O5* A B2450 -2.346 0.241 31.900 1.00 0.00 O ATOM 52630 C5* A B2450 -2.429 -1.121 32.656 1.00 0.00 C ATOM 52631 C4* A B2450 -1.540 -1.688 34.038 1.00 0.00 C ATOM 52632 O4* A B2450 -0.623 -0.562 34.188 1.00 0.00 O ATOM 52633 C3* A B2450 -2.118 -1.878 35.438 1.00 0.00 C ATOM 52634 O3* A B2450 -3.103 -2.913 36.112 1.00 0.00 O ATOM 52635 C2* A B2450 -0.922 -1.546 36.328 1.00 0.00 C ATOM 52636 O2* A B2450 0.004 -2.624 36.349 1.00 0.00 O ATOM 52637 C1* A B2450 -0.264 -0.412 35.551 1.00 0.00 C ATOM 52638 N9 A B2450 -0.715 1.136 36.050 1.00 0.00 N ATOM 52639 C8 A B2450 -1.686 1.955 35.520 1.00 0.00 C ATOM 52640 N7 A B2450 -1.684 3.156 36.005 1.00 0.00 N ATOM 52641 C5 A B2450 -0.643 3.149 36.920 1.00 0.00 C ATOM 52642 C6 A B2450 -0.126 4.136 37.774 1.00 0.00 C ATOM 52643 N6 A B2450 -0.616 5.384 37.848 1.00 0.00 N ATOM 52644 N1 A B2450 0.913 3.796 38.557 1.00 0.00 N ATOM 52645 C2 A B2450 1.393 2.554 38.485 1.00 0.00 C ATOM 52646 N3 A B2450 0.995 1.554 37.729 1.00 0.00 N ATOM 52647 C4 A B2450 -0.046 1.921 36.957 1.00 0.00 C ATOM 52648 P A B2451 -2.625 -4.467 36.998 1.00 0.00 P ATOM 52649 O1P A B2451 -1.272 -4.339 37.592 1.00 0.00 O ATOM 52650 O2P A B2451 -2.837 -5.638 36.119 1.00 0.00 O ATOM 52651 O5* A B2451 -3.919 -4.540 38.330 1.00 0.00 O ATOM 52652 C5* A B2451 -4.392 -4.792 39.768 1.00 0.00 C ATOM 52653 C4* A B2451 -4.952 -6.300 40.221 1.00 0.00 C ATOM 52654 O4* A B2451 -4.441 -7.417 39.437 1.00 0.00 O ATOM 52655 C3* A B2451 -5.707 -6.974 41.372 1.00 0.00 C ATOM 52656 O3* A B2451 -5.235 -7.367 42.888 1.00 0.00 O ATOM 52657 C2* A B2451 -6.308 -8.198 40.682 1.00 0.00 C ATOM 52658 O2* A B2451 -7.430 -7.831 39.892 1.00 0.00 O ATOM 52659 C1* A B2451 -5.195 -8.586 39.718 1.00 0.00 C ATOM 52660 N9 A B2451 -4.159 -9.749 40.291 1.00 0.00 N ATOM 52661 C8 A B2451 -3.137 -9.608 41.206 1.00 0.00 C ATOM 52662 N7 A B2451 -2.376 -10.651 41.311 1.00 0.00 N ATOM 52663 C5 A B2451 -2.918 -11.554 40.405 1.00 0.00 C ATOM 52664 C6 A B2451 -2.560 -12.861 40.043 1.00 0.00 C ATOM 52665 N6 A B2451 -1.520 -13.518 40.575 1.00 0.00 N ATOM 52666 N1 A B2451 -3.313 -13.474 39.112 1.00 0.00 N ATOM 52667 C2 A B2451 -4.347 -12.820 38.593 1.00 0.00 C ATOM 52668 N3 A B2451 -4.778 -11.603 38.846 1.00 0.00 N ATOM 52669 C4 A B2451 -4.005 -11.010 39.785 1.00 0.00 C ATOM 52670 P C B2452 -5.863 -8.960 43.677 1.00 0.00 P ATOM 52671 O1P C B2452 -6.394 -9.829 42.606 1.00 0.00 O ATOM 52672 O2P C B2452 -6.769 -8.718 44.821 1.00 0.00 O ATOM 52673 O5* C B2452 -4.359 -9.643 44.548 1.00 0.00 O ATOM 52674 C5* C B2452 -3.805 -10.311 45.769 1.00 0.00 C ATOM 52675 C4* C B2452 -4.818 -10.981 46.908 1.00 0.00 C ATOM 52676 O4* C B2452 -6.121 -11.303 46.354 1.00 0.00 O ATOM 52677 C3* C B2452 -4.563 -12.094 47.923 1.00 0.00 C ATOM 52678 O3* C B2452 -3.347 -11.696 49.050 1.00 0.00 O ATOM 52679 C2* C B2452 -5.960 -12.340 48.487 1.00 0.00 C ATOM 52680 O2* C B2452 -6.325 -11.323 49.396 1.00 0.00 O ATOM 52681 C1* C B2452 -6.824 -12.154 47.243 1.00 0.00 C ATOM 52682 N1 C B2452 -7.205 -13.601 46.415 1.00 0.00 N ATOM 52683 C2 C B2452 -7.625 -14.693 47.171 1.00 0.00 C ATOM 52684 O2 C B2452 -7.659 -14.584 48.403 1.00 0.00 O ATOM 52685 N3 C B2452 -7.973 -15.839 46.534 1.00 0.00 N ATOM 52686 C4 C B2452 -7.922 -15.916 45.197 1.00 0.00 C ATOM 52687 N4 C B2452 -8.277 -17.052 44.621 1.00 0.00 N ATOM 52688 C5 C B2452 -7.496 -14.806 44.398 1.00 0.00 C ATOM 52689 C6 C B2452 -7.149 -13.672 45.056 1.00 0.00 C ATOM 52690 P A B2453 -3.503 -11.473 51.014 1.00 0.00 P ATOM 52691 O1P A B2453 -3.385 -12.720 51.801 1.00 0.00 O ATOM 52692 O2P A B2453 -4.880 -10.965 50.814 1.00 0.00 O ATOM 52693 O5* A B2453 -2.751 -9.973 52.054 1.00 0.00 O ATOM 52694 C5* A B2453 -2.666 -9.292 53.572 1.00 0.00 C ATOM 52695 C4* A B2453 -2.741 -7.668 54.347 1.00 0.00 C ATOM 52696 O4* A B2453 -3.755 -6.922 53.611 1.00 0.00 O ATOM 52697 C3* A B2453 -2.895 -7.179 55.787 1.00 0.00 C ATOM 52698 O3* A B2453 -1.749 -6.892 56.991 1.00 0.00 O ATOM 52699 C2* A B2453 -3.249 -5.704 55.588 1.00 0.00 C ATOM 52700 O2* A B2453 -2.091 -4.956 55.243 1.00 0.00 O ATOM 52701 C1* A B2453 -4.125 -5.765 54.340 1.00 0.00 C ATOM 52702 N9 A B2453 -5.807 -5.839 54.651 1.00 0.00 N ATOM 52703 C8 A B2453 -6.847 -5.735 53.754 1.00 0.00 C ATOM 52704 N7 A B2453 -8.015 -5.644 54.312 1.00 0.00 N ATOM 52705 C5 A B2453 -7.743 -5.689 55.671 1.00 0.00 C ATOM 52706 C6 A B2453 -8.570 -5.639 56.806 1.00 0.00 C ATOM 52707 N6 A B2453 -9.904 -5.521 56.744 1.00 0.00 N ATOM 52708 N1 A B2453 -7.975 -5.713 58.013 1.00 0.00 N ATOM 52709 C2 A B2453 -6.648 -5.827 58.067 1.00 0.00 C ATOM 52710 N3 A B2453 -5.779 -5.889 57.077 1.00 0.00 N ATOM 52711 C4 A B2453 -6.402 -5.808 55.886 1.00 0.00 C ATOM 52712 P G B2454 -2.130 -5.971 58.673 1.00 0.00 P ATOM 52713 O1P G B2454 -2.218 -7.042 59.682 1.00 0.00 O ATOM 52714 O2P G B2454 -3.371 -5.204 58.433 1.00 0.00 O ATOM 52715 O5* G B2454 -0.887 -4.686 59.461 1.00 0.00 O ATOM 52716 C5* G B2454 -0.607 -3.369 60.347 1.00 0.00 C ATOM 52717 C4* G B2454 0.390 -3.071 61.746 1.00 0.00 C ATOM 52718 O4* G B2454 1.495 -4.018 61.726 1.00 0.00 O ATOM 52719 C3* G B2454 0.933 -1.881 62.540 1.00 0.00 C ATOM 52720 O3* G B2454 0.266 -0.597 63.305 1.00 0.00 O ATOM 52721 C2* G B2454 1.808 -2.575 63.585 1.00 0.00 C ATOM 52722 O2* G B2454 1.012 -3.149 64.606 1.00 0.00 O ATOM 52723 C1* G B2454 2.399 -3.730 62.780 1.00 0.00 C ATOM 52724 N9 G B2454 3.956 -3.408 62.092 1.00 0.00 N ATOM 52725 C8 G B2454 4.286 -2.589 61.035 1.00 0.00 C ATOM 52726 N7 G B2454 5.575 -2.477 60.823 1.00 0.00 N ATOM 52727 C5 G B2454 6.141 -3.283 61.817 1.00 0.00 C ATOM 52728 C6 G B2454 7.501 -3.561 62.098 1.00 0.00 C ATOM 52729 O6 G B2454 8.508 -3.153 61.522 1.00 0.00 O ATOM 52730 N1 G B2454 7.631 -4.430 63.193 1.00 0.00 N ATOM 52731 C2 G B2454 6.579 -4.955 63.922 1.00 0.00 C ATOM 52732 N2 G B2454 6.909 -5.764 64.932 1.00 0.00 N ATOM 52733 N3 G B2454 5.302 -4.689 63.652 1.00 0.00 N ATOM 52734 C4 G B2454 5.159 -3.853 62.594 1.00 0.00 C ATOM 52735 P G B2455 0.963 1.129 63.713 1.00 0.00 P ATOM 52736 O1P G B2455 1.694 1.543 62.490 1.00 0.00 O ATOM 52737 O2P G B2455 1.626 1.449 64.996 1.00 0.00 O ATOM 52738 O5* G B2455 -0.512 1.748 63.694 1.00 0.00 O ATOM 52739 C5* G B2455 -0.993 2.443 64.856 1.00 0.00 C ATOM 52740 C4* G B2455 -2.353 3.048 64.573 1.00 0.00 C ATOM 52741 O4* G B2455 -3.181 2.921 65.768 1.00 0.00 O ATOM 52742 C3* G B2455 -2.366 4.547 64.275 1.00 0.00 C ATOM 52743 O3* G B2455 -2.089 4.805 62.935 1.00 0.00 O ATOM 52744 C2* G B2455 -3.787 4.941 64.671 1.00 0.00 C ATOM 52745 O2* G B2455 -4.716 4.532 63.681 1.00 0.00 O ATOM 52746 C1* G B2455 -4.023 4.056 65.892 1.00 0.00 C ATOM 52747 N9 G B2455 -3.708 4.723 67.184 1.00 0.00 N ATOM 52748 C8 G B2455 -2.631 4.530 68.022 1.00 0.00 C ATOM 52749 N7 G B2455 -2.650 5.287 69.095 1.00 0.00 N ATOM 52750 C5 G B2455 -3.822 6.032 68.955 1.00 0.00 C ATOM 52751 C6 G B2455 -4.383 7.021 69.804 1.00 0.00 C ATOM 52752 O6 G B2455 -3.954 7.452 70.872 1.00 0.00 O ATOM 52753 N1 G B2455 -5.581 7.522 69.283 1.00 0.00 N ATOM 52754 C2 G B2455 -6.164 7.121 68.097 1.00 0.00 C ATOM 52755 N2 G B2455 -7.312 7.723 67.774 1.00 0.00 N ATOM 52756 N3 G B2455 -5.637 6.193 67.302 1.00 0.00 N ATOM 52757 C4 G B2455 -4.474 5.694 67.794 1.00 0.00 C ATOM 52758 P C B2456 -1.264 6.160 62.549 1.00 0.00 P ATOM 52759 O1P C B2456 -0.757 6.072 61.162 1.00 0.00 O ATOM 52760 O2P C B2456 -0.247 6.430 63.589 1.00 0.00 O ATOM 52761 O5* C B2456 -2.428 7.256 62.631 1.00 0.00 O ATOM 52762 C5* C B2456 -3.567 7.128 61.763 1.00 0.00 C ATOM 52763 C4* C B2456 -4.593 8.192 62.096 1.00 0.00 C ATOM 52764 O4* C B2456 -5.152 7.911 63.414 1.00 0.00 O ATOM 52765 C3* C B2456 -4.059 9.620 62.218 1.00 0.00 C ATOM 52766 O3* C B2456 -3.973 10.241 60.975 1.00 0.00 O ATOM 52767 C2* C B2456 -5.095 10.272 63.132 1.00 0.00 C ATOM 52768 O2* C B2456 -6.282 10.564 62.418 1.00 0.00 O ATOM 52769 C1* C B2456 -5.422 9.130 64.089 1.00 0.00 C ATOM 52770 N1 C B2456 -4.617 9.150 65.341 1.00 0.00 N ATOM 52771 C2 C B2456 -4.932 10.107 66.300 1.00 0.00 C ATOM 52772 O2 C B2456 -5.859 10.895 66.076 1.00 0.00 O ATOM 52773 N3 C B2456 -4.208 10.142 67.451 1.00 0.00 N ATOM 52774 C4 C B2456 -3.215 9.270 67.658 1.00 0.00 C ATOM 52775 N4 C B2456 -2.538 9.346 68.793 1.00 0.00 N ATOM 52776 C5 C B2456 -2.876 8.277 66.683 1.00 0.00 C ATOM 52777 C6 C B2456 -3.607 8.259 65.541 1.00 0.00 C ATOM 52778 P U B2457 -2.765 11.307 60.713 1.00 0.00 P ATOM 52779 O1P U B2457 -2.619 11.570 59.265 1.00 0.00 O ATOM 52780 O2P U B2457 -1.541 10.846 61.408 1.00 0.00 O ATOM 52781 O5* U B2457 -3.348 12.607 61.444 1.00 0.00 O ATOM 52782 C5* U B2457 -4.587 13.170 60.981 1.00 0.00 C ATOM 52783 C4* U B2457 -5.009 14.309 61.888 1.00 0.00 C ATOM 52784 O4* U B2457 -5.362 13.764 63.192 1.00 0.00 O ATOM 52785 C3* U B2457 -3.930 15.347 62.201 1.00 0.00 C ATOM 52786 O3* U B2457 -3.848 16.314 61.201 1.00 0.00 O ATOM 52787 C2* U B2457 -4.413 15.916 63.531 1.00 0.00 C ATOM 52788 O2* U B2457 -5.495 16.807 63.336 1.00 0.00 O ATOM 52789 C1* U B2457 -4.977 14.672 64.213 1.00 0.00 C ATOM 52790 N1 U B2457 -4.005 13.983 65.104 1.00 0.00 N ATOM 52791 C2 U B2457 -3.725 14.583 66.310 1.00 0.00 C ATOM 52792 O2 U B2457 -4.236 15.634 66.661 1.00 0.00 O ATOM 52793 N3 U B2457 -2.820 13.915 67.109 1.00 0.00 N ATOM 52794 C4 U B2457 -2.186 12.725 66.809 1.00 0.00 C ATOM 52795 O4 U B2457 -1.392 12.221 67.608 1.00 0.00 O ATOM 52796 C5 U B2457 -2.544 12.172 65.525 1.00 0.00 C ATOM 52797 C6 U B2457 -3.422 12.804 64.726 1.00 0.00 C ATOM 52798 P G B2458 -3.036 17.962 61.291 1.00 0.00 P ATOM 52799 O1P G B2458 -3.415 18.906 60.218 1.00 0.00 O ATOM 52800 O2P G B2458 -1.791 17.194 61.065 1.00 0.00 O ATOM 52801 O5* G B2458 -2.941 18.744 62.686 1.00 0.00 O ATOM 52802 C5* G B2458 -4.084 19.487 63.148 1.00 0.00 C ATOM 52803 C4* G B2458 -3.819 20.036 64.534 1.00 0.00 C ATOM 52804 O4* G B2458 -3.748 18.928 65.476 1.00 0.00 O ATOM 52805 C3* G B2458 -2.487 20.764 64.720 1.00 0.00 C ATOM 52806 O3* G B2458 -2.569 22.096 64.321 1.00 0.00 O ATOM 52807 C2* G B2458 -2.245 20.612 66.221 1.00 0.00 C ATOM 52808 O2* G B2458 -3.063 21.506 66.955 1.00 0.00 O ATOM 52809 C1* G B2458 -2.783 19.207 66.475 1.00 0.00 C ATOM 52810 N9 G B2458 -1.738 18.146 66.419 1.00 0.00 N ATOM 52811 C8 G B2458 -1.506 17.208 65.436 1.00 0.00 C ATOM 52812 N7 G B2458 -0.495 16.410 65.691 1.00 0.00 N ATOM 52813 C5 G B2458 -0.027 16.850 66.928 1.00 0.00 C ATOM 52814 C6 G B2458 1.049 16.375 67.718 1.00 0.00 C ATOM 52815 O6 G B2458 1.826 15.453 67.490 1.00 0.00 O ATOM 52816 N1 G B2458 1.176 17.112 68.906 1.00 0.00 N ATOM 52817 C2 G B2458 0.370 18.168 69.278 1.00 0.00 C ATOM 52818 N2 G B2458 0.655 18.743 70.451 1.00 0.00 N ATOM 52819 N3 G B2458 -0.642 18.615 68.534 1.00 0.00 N ATOM 52820 C4 G B2458 -0.778 17.910 67.377 1.00 0.00 C ATOM 52821 P A B2459 -1.257 22.799 63.652 1.00 0.00 P ATOM 52822 O1P A B2459 -1.641 24.057 62.973 1.00 0.00 O ATOM 52823 O2P A B2459 -0.540 21.809 62.816 1.00 0.00 O ATOM 52824 O5* A B2459 -0.395 23.130 64.959 1.00 0.00 O ATOM 52825 C5* A B2459 -0.947 24.008 65.957 1.00 0.00 C ATOM 52826 C4* A B2459 -0.023 24.081 67.153 1.00 0.00 C ATOM 52827 O4* A B2459 -0.014 22.787 67.824 1.00 0.00 O ATOM 52828 C3* A B2459 1.452 24.342 66.842 1.00 0.00 C ATOM 52829 O3* A B2459 1.707 25.705 66.692 1.00 0.00 O ATOM 52830 C2* A B2459 2.146 23.744 68.062 1.00 0.00 C ATOM 52831 O2* A B2459 2.025 24.601 69.185 1.00 0.00 O ATOM 52832 C1* A B2459 1.279 22.521 68.341 1.00 0.00 C ATOM 52833 N9 A B2459 1.780 21.272 67.705 1.00 0.00 N ATOM 52834 C8 A B2459 1.291 20.601 66.608 1.00 0.00 C ATOM 52835 N7 A B2459 1.960 19.531 66.302 1.00 0.00 N ATOM 52836 C5 A B2459 2.965 19.479 67.255 1.00 0.00 C ATOM 52837 C6 A B2459 4.018 18.575 67.479 1.00 0.00 C ATOM 52838 N6 A B2459 4.239 17.496 66.716 1.00 0.00 N ATOM 52839 N1 A B2459 4.837 18.822 68.518 1.00 0.00 N ATOM 52840 C2 A B2459 4.614 19.898 69.273 1.00 0.00 C ATOM 52841 N3 A B2459 3.670 20.807 69.160 1.00 0.00 N ATOM 52842 C4 A B2459 2.865 20.538 68.114 1.00 0.00 C ATOM 52843 P U B2460 2.845 26.175 65.622 1.00 0.00 P ATOM 52844 O1P U B2460 2.718 27.622 65.341 1.00 0.00 O ATOM 52845 O2P U B2460 2.809 25.284 64.441 1.00 0.00 O ATOM 52846 O5* U B2460 4.181 25.905 66.465 1.00 0.00 O ATOM 52847 C5* U B2460 4.377 26.606 67.707 1.00 0.00 C ATOM 52848 C4* U B2460 5.632 26.108 68.391 1.00 0.00 C ATOM 52849 O4* U B2460 5.423 24.732 68.817 1.00 0.00 O ATOM 52850 C3* U B2460 6.884 26.034 67.514 1.00 0.00 C ATOM 52851 O3* U B2460 7.533 27.262 67.447 1.00 0.00 O ATOM 52852 C2* U B2460 7.712 24.967 68.229 1.00 0.00 C ATOM 52853 O2* U B2460 8.317 25.500 69.396 1.00 0.00 O ATOM 52854 C1* U B2460 6.630 23.998 68.694 1.00 0.00 C ATOM 52855 N1 U B2460 6.390 22.872 67.751 1.00 0.00 N ATOM 52856 C2 U B2460 7.338 21.878 67.704 1.00 0.00 C ATOM 52857 O2 U B2460 8.343 21.892 68.396 1.00 0.00 O ATOM 52858 N3 U B2460 7.081 20.854 66.820 1.00 0.00 N ATOM 52859 C4 U B2460 5.981 20.740 65.994 1.00 0.00 C ATOM 52860 O4 U B2460 5.861 19.770 65.239 1.00 0.00 O ATOM 52861 C5 U B2460 5.041 21.828 66.110 1.00 0.00 C ATOM 52862 C6 U B2460 5.267 22.840 66.965 1.00 0.00 C ATOM 52863 P A B2461 8.296 27.671 66.059 1.00 0.00 P ATOM 52864 O1P A B2461 8.597 29.120 66.047 1.00 0.00 O ATOM 52865 O2P A B2461 7.522 27.167 64.905 1.00 0.00 O ATOM 52866 O5* A B2461 9.655 26.839 66.206 1.00 0.00 O ATOM 52867 C5* A B2461 10.520 27.110 67.323 1.00 0.00 C ATOM 52868 C4* A B2461 11.676 26.128 67.333 1.00 0.00 C ATOM 52869 O4* A B2461 11.159 24.798 67.629 1.00 0.00 O ATOM 52870 C3* A B2461 12.408 25.950 66.004 1.00 0.00 C ATOM 52871 O3* A B2461 13.382 26.931 65.821 1.00 0.00 O ATOM 52872 C2* A B2461 13.005 24.550 66.152 1.00 0.00 C ATOM 52873 O2* A B2461 14.137 24.574 67.004 1.00 0.00 O ATOM 52874 C1* A B2461 11.895 23.824 66.908 1.00 0.00 C ATOM 52875 N9 A B2461 10.947 23.094 66.022 1.00 0.00 N ATOM 52876 C8 A B2461 9.654 23.420 65.681 1.00 0.00 C ATOM 52877 N7 A B2461 9.090 22.569 64.880 1.00 0.00 N ATOM 52878 C5 A B2461 10.067 21.608 64.668 1.00 0.00 C ATOM 52879 C6 A B2461 10.089 20.432 63.903 1.00 0.00 C ATOM 52880 N6 A B2461 9.048 20.001 63.176 1.00 0.00 N ATOM 52881 N1 A B2461 11.222 19.707 63.914 1.00 0.00 N ATOM 52882 C2 A B2461 12.252 20.138 64.638 1.00 0.00 C ATOM 52883 N3 A B2461 12.349 21.215 65.387 1.00 0.00 N ATOM 52884 C4 A B2461 11.203 21.922 65.360 1.00 0.00 C ATOM 52885 P C B2462 13.681 27.466 64.308 1.00 0.00 P ATOM 52886 O1P C B2462 14.451 28.729 64.357 1.00 0.00 O ATOM 52887 O2P C B2462 12.414 27.509 63.542 1.00 0.00 O ATOM 52888 O5* C B2462 14.610 26.287 63.753 1.00 0.00 O ATOM 52889 C5* C B2462 15.857 26.008 64.415 1.00 0.00 C ATOM 52890 C4* C B2462 16.508 24.785 63.804 1.00 0.00 C ATOM 52891 O4* C B2462 15.699 23.615 64.119 1.00 0.00 O ATOM 52892 C3* C B2462 16.594 24.770 62.276 1.00 0.00 C ATOM 52893 O3* C B2462 17.717 25.462 61.823 1.00 0.00 O ATOM 52894 C2* C B2462 16.666 23.275 61.976 1.00 0.00 C ATOM 52895 O2* C B2462 17.961 22.764 62.256 1.00 0.00 O ATOM 52896 C1* C B2462 15.726 22.703 63.031 1.00 0.00 C ATOM 52897 N1 C B2462 14.329 22.516 62.552 1.00 0.00 N ATOM 52898 C2 C B2462 14.075 21.459 61.686 1.00 0.00 C ATOM 52899 O2 C B2462 15.011 20.721 61.354 1.00 0.00 O ATOM 52900 N3 C B2462 12.807 21.271 61.236 1.00 0.00 N ATOM 52901 C4 C B2462 11.821 22.091 61.619 1.00 0.00 C ATOM 52902 N4 C B2462 10.602 21.868 61.151 1.00 0.00 N ATOM 52903 C5 C B2462 12.058 23.187 62.510 1.00 0.00 C ATOM 52904 C6 C B2462 13.333 23.357 62.948 1.00 0.00 C ATOM 52905 P C B2463 17.617 26.275 60.409 1.00 0.00 P ATOM 52906 O1P C B2463 18.746 27.224 60.284 1.00 0.00 O ATOM 52907 O2P C B2463 16.265 26.860 60.271 1.00 0.00 O ATOM 52908 O5* C B2463 17.797 25.077 59.361 1.00 0.00 O ATOM 52909 C5* C B2463 19.015 24.309 59.386 1.00 0.00 C ATOM 52910 C4* C B2463 18.918 23.158 58.404 1.00 0.00 C ATOM 52911 O4* C B2463 17.921 22.211 58.881 1.00 0.00 O ATOM 52912 C3* C B2463 18.436 23.519 56.996 1.00 0.00 C ATOM 52913 O3* C B2463 19.486 23.978 56.199 1.00 0.00 O ATOM 52914 C2* C B2463 17.857 22.197 56.506 1.00 0.00 C ATOM 52915 O2* C B2463 18.893 21.301 56.137 1.00 0.00 O ATOM 52916 C1* C B2463 17.227 21.644 57.782 1.00 0.00 C ATOM 52917 N1 C B2463 15.783 21.977 57.926 1.00 0.00 N ATOM 52918 C2 C B2463 14.875 21.291 57.124 1.00 0.00 C ATOM 52919 O2 C B2463 15.301 20.444 56.332 1.00 0.00 O ATOM 52920 N3 C B2463 13.553 21.582 57.241 1.00 0.00 N ATOM 52921 C4 C B2463 13.133 22.506 58.113 1.00 0.00 C ATOM 52922 N4 C B2463 11.832 22.752 58.188 1.00 0.00 N ATOM 52923 C5 C B2463 14.051 23.222 58.947 1.00 0.00 C ATOM 52924 C6 C B2463 15.365 22.920 58.814 1.00 0.00 C ATOM 52925 P G B2464 19.177 25.128 55.085 1.00 0.00 P ATOM 52926 O1P G B2464 20.441 25.733 54.611 1.00 0.00 O ATOM 52927 O2P G B2464 18.169 26.072 55.616 1.00 0.00 O ATOM 52928 O5* G B2464 18.530 24.245 53.915 1.00 0.00 O ATOM 52929 C5* G B2464 19.311 23.197 53.315 1.00 0.00 C ATOM 52930 C4* G B2464 18.468 22.416 52.331 1.00 0.00 C ATOM 52931 O4* G B2464 17.442 21.684 53.065 1.00 0.00 O ATOM 52932 C3* G B2464 17.673 23.251 51.326 1.00 0.00 C ATOM 52933 O3* G B2464 18.448 23.600 50.224 1.00 0.00 O ATOM 52934 C2* G B2464 16.524 22.311 50.967 1.00 0.00 C ATOM 52935 O2* G B2464 16.965 21.296 50.076 1.00 0.00 O ATOM 52936 C1* G B2464 16.246 21.635 52.306 1.00 0.00 C ATOM 52937 N9 G B2464 15.172 22.296 53.095 1.00 0.00 N ATOM 52938 C8 G B2464 15.280 23.090 54.219 1.00 0.00 C ATOM 52939 N7 G B2464 14.128 23.523 54.679 1.00 0.00 N ATOM 52940 C5 G B2464 13.195 22.977 53.800 1.00 0.00 C ATOM 52941 C6 G B2464 11.781 23.095 53.780 1.00 0.00 C ATOM 52942 O6 G B2464 11.049 23.711 54.552 1.00 0.00 O ATOM 52943 N1 G B2464 11.223 22.383 52.711 1.00 0.00 N ATOM 52944 C2 G B2464 11.936 21.654 51.781 1.00 0.00 C ATOM 52945 N2 G B2464 11.219 21.044 50.835 1.00 0.00 N ATOM 52946 N3 G B2464 13.263 21.546 51.796 1.00 0.00 N ATOM 52947 C4 G B2464 13.822 22.231 52.830 1.00 0.00 C ATOM 52948 P C B2465 18.186 25.039 49.502 1.00 0.00 P ATOM 52949 O1P C B2465 19.318 25.383 48.616 1.00 0.00 O ATOM 52950 O2P C B2465 17.844 26.051 50.532 1.00 0.00 O ATOM 52951 O5* C B2465 16.893 24.707 48.623 1.00 0.00 O ATOM 52952 C5* C B2465 16.979 23.681 47.617 1.00 0.00 C ATOM 52953 C4* C B2465 15.616 23.446 46.998 1.00 0.00 C ATOM 52954 O4* C B2465 14.739 22.852 48.001 1.00 0.00 O ATOM 52955 C3* C B2465 14.862 24.699 46.549 1.00 0.00 C ATOM 52956 O3* C B2465 15.256 25.100 45.274 1.00 0.00 O ATOM 52957 C2* C B2465 13.408 24.234 46.596 1.00 0.00 C ATOM 52958 O2* C B2465 13.108 23.409 45.483 1.00 0.00 O ATOM 52959 C1* C B2465 13.414 23.332 47.826 1.00 0.00 C ATOM 52960 N1 C B2465 13.010 24.031 49.080 1.00 0.00 N ATOM 52961 C2 C B2465 11.664 24.330 49.248 1.00 0.00 C ATOM 52962 O2 C B2465 10.865 24.011 48.359 1.00 0.00 O ATOM 52963 N3 C B2465 11.272 24.967 50.382 1.00 0.00 N ATOM 52964 C4 C B2465 12.170 25.297 51.322 1.00 0.00 C ATOM 52965 N4 C B2465 11.738 25.913 52.412 1.00 0.00 N ATOM 52966 C5 C B2465 13.561 24.993 51.170 1.00 0.00 C ATOM 52967 C6 C B2465 13.929 24.359 50.027 1.00 0.00 C ATOM 52968 P C B2466 15.284 26.695 44.926 1.00 0.00 P ATOM 52969 O1P C B2466 16.060 26.938 43.691 1.00 0.00 O ATOM 52970 O2P C B2466 15.718 27.452 46.122 1.00 0.00 O ATOM 52971 O5* C B2466 13.729 26.968 44.649 1.00 0.00 O ATOM 52972 C5* C B2466 13.077 26.260 43.583 1.00 0.00 C ATOM 52973 C4* C B2466 11.592 26.571 43.583 1.00 0.00 C ATOM 52974 O4* C B2466 10.990 25.998 44.778 1.00 0.00 O ATOM 52975 C3* C B2466 11.226 28.056 43.662 1.00 0.00 C ATOM 52976 O3* C B2466 11.248 28.655 42.404 1.00 0.00 O ATOM 52977 C2* C B2466 9.826 28.006 44.267 1.00 0.00 C ATOM 52978 O2* C B2466 8.871 27.617 43.294 1.00 0.00 O ATOM 52979 C1* C B2466 9.956 26.847 45.249 1.00 0.00 C ATOM 52980 N1 C B2466 10.308 27.273 46.634 1.00 0.00 N ATOM 52981 C2 C B2466 9.314 27.872 47.399 1.00 0.00 C ATOM 52982 O2 C B2466 8.193 28.029 46.904 1.00 0.00 O ATOM 52983 N3 C B2466 9.615 28.270 48.663 1.00 0.00 N ATOM 52984 C4 C B2466 10.843 28.084 49.164 1.00 0.00 C ATOM 52985 N4 C B2466 11.088 28.487 50.401 1.00 0.00 N ATOM 52986 C5 C B2466 11.881 27.467 48.389 1.00 0.00 C ATOM 52987 C6 C B2466 11.560 27.079 47.130 1.00 0.00 C ATOM 52988 P C B2467 10.737 30.374 43.047 1.00 0.00 P ATOM 52989 O1P C B2467 9.367 30.292 43.598 1.00 0.00 O ATOM 52990 O2P C B2467 11.001 31.513 42.141 1.00 0.00 O ATOM 52991 O5* C B2467 11.981 30.290 44.428 1.00 0.00 O ATOM 52992 C5* C B2467 12.844 29.883 45.588 1.00 0.00 C ATOM 52993 C4* C B2467 13.328 31.134 46.582 1.00 0.00 C ATOM 52994 O4* C B2467 12.304 32.140 46.343 1.00 0.00 O ATOM 52995 C3* C B2467 13.558 31.192 48.091 1.00 0.00 C ATOM 52996 O3* C B2467 15.042 30.766 48.590 1.00 0.00 O ATOM 52997 C2* C B2467 13.401 32.684 48.380 1.00 0.00 C ATOM 52998 O2* C B2467 14.554 33.402 47.974 1.00 0.00 O ATOM 52999 C1* C B2467 12.279 33.067 47.419 1.00 0.00 C ATOM 53000 N1 C B2467 10.714 33.051 48.106 1.00 0.00 N ATOM 53001 C2 C B2467 10.590 33.424 49.442 1.00 0.00 C ATOM 53002 O2 C B2467 11.619 33.679 50.088 1.00 0.00 O ATOM 53003 N3 C B2467 9.351 33.495 49.990 1.00 0.00 N ATOM 53004 C4 C B2467 8.266 33.212 49.255 1.00 0.00 C ATOM 53005 N4 C B2467 7.080 33.298 49.833 1.00 0.00 N ATOM 53006 C5 C B2467 8.375 32.826 47.879 1.00 0.00 C ATOM 53007 C6 C B2467 9.619 32.761 47.350 1.00 0.00 C ATOM 53008 P A B2468 16.780 31.480 48.857 1.00 0.00 P ATOM 53009 O1P A B2468 17.033 31.373 50.309 1.00 0.00 O ATOM 53010 O2P A B2468 16.884 32.844 48.284 1.00 0.00 O ATOM 53011 O5* A B2468 18.071 30.380 47.981 1.00 0.00 O ATOM 53012 C5* A B2468 19.545 30.439 47.509 1.00 0.00 C ATOM 53013 C4* A B2468 20.674 29.293 46.931 1.00 0.00 C ATOM 53014 O4* A B2468 20.626 27.984 47.568 1.00 0.00 O ATOM 53015 C3* A B2468 21.086 28.993 45.491 1.00 0.00 C ATOM 53016 O3* A B2468 21.555 30.094 44.434 1.00 0.00 O ATOM 53017 C2* A B2468 22.056 27.828 45.675 1.00 0.00 C ATOM 53018 O2* A B2468 23.310 28.292 46.151 1.00 0.00 O ATOM 53019 C1* A B2468 21.407 27.061 46.823 1.00 0.00 C ATOM 53020 N9 A B2468 20.398 25.773 46.338 1.00 0.00 N ATOM 53021 C8 A B2468 19.400 25.774 45.390 1.00 0.00 C ATOM 53022 N7 A B2468 18.880 24.606 45.167 1.00 0.00 N ATOM 53023 C5 A B2468 19.579 23.760 46.020 1.00 0.00 C ATOM 53024 C6 A B2468 19.500 22.380 46.262 1.00 0.00 C ATOM 53025 N6 A B2468 18.640 21.569 45.622 1.00 0.00 N ATOM 53026 N1 A B2468 20.335 21.863 47.176 1.00 0.00 N ATOM 53027 C2 A B2468 21.188 22.676 47.802 1.00 0.00 C ATOM 53028 N3 A B2468 21.352 23.975 47.664 1.00 0.00 N ATOM 53029 C4 A B2468 20.504 24.466 46.735 1.00 0.00 C ATOM 53030 P A B2469 22.218 29.644 42.718 1.00 0.00 P ATOM 53031 O1P A B2469 21.768 28.281 42.358 1.00 0.00 O ATOM 53032 O2P A B2469 23.684 29.843 42.762 1.00 0.00 O ATOM 53033 O5* A B2469 21.500 30.838 41.434 1.00 0.00 O ATOM 53034 C5* A B2469 21.113 31.484 40.085 1.00 0.00 C ATOM 53035 C4* A B2469 19.981 30.640 39.077 1.00 0.00 C ATOM 53036 O4* A B2469 20.182 29.346 39.716 1.00 0.00 O ATOM 53037 C3* A B2469 18.482 30.905 39.247 1.00 0.00 C ATOM 53038 O3* A B2469 17.648 32.084 40.032 1.00 0.00 O ATOM 53039 C2* A B2469 17.890 29.503 39.101 1.00 0.00 C ATOM 53040 O2* A B2469 17.875 29.105 37.741 1.00 0.00 O ATOM 53041 C1* A B2469 18.948 28.651 39.797 1.00 0.00 C ATOM 53042 N9 A B2469 18.641 28.342 41.361 1.00 0.00 N ATOM 53043 C8 A B2469 18.146 27.190 41.932 1.00 0.00 C ATOM 53044 N7 A B2469 18.019 27.249 43.220 1.00 0.00 N ATOM 53045 C5 A B2469 18.456 28.527 43.541 1.00 0.00 C ATOM 53046 C6 A B2469 18.567 29.215 44.757 1.00 0.00 C ATOM 53047 N6 A B2469 18.234 28.678 45.941 1.00 0.00 N ATOM 53048 N1 A B2469 19.037 30.477 44.717 1.00 0.00 N ATOM 53049 C2 A B2469 19.369 30.994 43.542 1.00 0.00 C ATOM 53050 N3 A B2469 19.305 30.460 42.343 1.00 0.00 N ATOM 53051 C4 A B2469 18.835 29.199 42.413 1.00 0.00 C ATOM 53052 P G B2470 16.692 33.333 38.875 1.00 0.00 P ATOM 53053 O1P G B2470 16.464 32.263 37.875 1.00 0.00 O ATOM 53054 O2P G B2470 17.619 34.410 38.464 1.00 0.00 O ATOM 53055 O5* G B2470 15.291 33.962 39.321 1.00 0.00 O ATOM 53056 C5* G B2470 14.104 33.618 38.586 1.00 0.00 C ATOM 53057 C4* G B2470 12.884 34.223 39.255 1.00 0.00 C ATOM 53058 O4* G B2470 12.679 33.566 40.540 1.00 0.00 O ATOM 53059 C3* G B2470 12.989 35.705 39.613 1.00 0.00 C ATOM 53060 O3* G B2470 12.665 36.517 38.527 1.00 0.00 O ATOM 53061 C2* G B2470 11.988 35.827 40.759 1.00 0.00 C ATOM 53062 O2* G B2470 10.659 35.835 40.266 1.00 0.00 O ATOM 53063 C1* G B2470 12.185 34.501 41.484 1.00 0.00 C ATOM 53064 N9 G B2470 13.161 34.573 42.611 1.00 0.00 N ATOM 53065 C8 G B2470 14.450 34.095 42.678 1.00 0.00 C ATOM 53066 N7 G B2470 15.044 34.327 43.824 1.00 0.00 N ATOM 53067 C5 G B2470 14.078 35.006 44.567 1.00 0.00 C ATOM 53068 C6 G B2470 14.136 35.517 45.890 1.00 0.00 C ATOM 53069 O6 G B2470 15.068 35.477 46.691 1.00 0.00 O ATOM 53070 N1 G B2470 12.933 36.135 46.251 1.00 0.00 N ATOM 53071 C2 G B2470 11.817 36.247 45.443 1.00 0.00 C ATOM 53072 N2 G B2470 10.767 36.874 45.974 1.00 0.00 N ATOM 53073 N3 G B2470 11.765 35.767 44.203 1.00 0.00 N ATOM 53074 C4 G B2470 12.926 35.163 43.836 1.00 0.00 C ATOM 53075 P A B2471 13.437 37.943 38.356 1.00 0.00 P ATOM 53076 O1P A B2471 13.240 38.474 36.990 1.00 0.00 O ATOM 53077 O2P A B2471 14.845 37.796 38.789 1.00 0.00 O ATOM 53078 O5* A B2471 12.639 38.845 39.408 1.00 0.00 O ATOM 53079 C5* A B2471 11.225 39.046 39.224 1.00 0.00 C ATOM 53080 C4* A B2471 10.654 39.821 40.396 1.00 0.00 C ATOM 53081 O4* A B2471 10.715 38.987 41.587 1.00 0.00 O ATOM 53082 C3* A B2471 11.416 41.087 40.792 1.00 0.00 C ATOM 53083 O3* A B2471 11.030 42.177 40.017 1.00 0.00 O ATOM 53084 C2* A B2471 11.031 41.244 42.260 1.00 0.00 C ATOM 53085 O2* A B2471 9.715 41.755 42.385 1.00 0.00 O ATOM 53086 C1* A B2471 10.989 39.791 42.723 1.00 0.00 C ATOM 53087 N9 A B2471 12.264 39.317 43.329 1.00 0.00 N ATOM 53088 C8 A B2471 13.213 38.473 42.800 1.00 0.00 C ATOM 53089 N7 A B2471 14.222 38.253 43.584 1.00 0.00 N ATOM 53090 C5 A B2471 13.930 38.999 44.718 1.00 0.00 C ATOM 53091 C6 A B2471 14.615 39.189 45.928 1.00 0.00 C ATOM 53092 N6 A B2471 15.793 38.611 46.212 1.00 0.00 N ATOM 53093 N1 A B2471 14.047 39.996 46.845 1.00 0.00 N ATOM 53094 C2 A B2471 12.877 40.564 46.558 1.00 0.00 C ATOM 53095 N3 A B2471 12.148 40.461 45.468 1.00 0.00 N ATOM 53096 C4 A B2471 12.741 39.650 44.569 1.00 0.00 C ATOM 53097 P G B2472 9.992 42.044 38.499 1.00 0.00 P ATOM 53098 O1P G B2472 9.173 43.258 38.306 1.00 0.00 O ATOM 53099 O2P G B2472 9.272 40.755 38.391 1.00 0.00 O ATOM 53100 O5* G B2472 11.483 42.113 37.453 1.00 0.00 O ATOM 53101 C5* G B2472 12.326 43.187 36.983 1.00 0.00 C ATOM 53102 C4* G B2472 12.915 44.129 38.185 1.00 0.00 C ATOM 53103 O4* G B2472 12.016 45.134 38.736 1.00 0.00 O ATOM 53104 C3* G B2472 13.540 43.476 39.419 1.00 0.00 C ATOM 53105 O3* G B2472 14.796 42.594 39.126 1.00 0.00 O ATOM 53106 C2* G B2472 13.675 44.655 40.373 1.00 0.00 C ATOM 53107 O2* G B2472 14.767 45.477 40.007 1.00 0.00 O ATOM 53108 C1* G B2472 12.403 45.444 40.065 1.00 0.00 C ATOM 53109 N9 G B2472 11.068 45.102 41.117 1.00 0.00 N ATOM 53110 C8 G B2472 9.937 44.350 40.871 1.00 0.00 C ATOM 53111 N7 G B2472 9.055 44.381 41.842 1.00 0.00 N ATOM 53112 C5 G B2472 9.642 45.210 42.795 1.00 0.00 C ATOM 53113 C6 G B2472 9.163 45.624 44.068 1.00 0.00 C ATOM 53114 O6 G B2472 8.105 45.337 44.619 1.00 0.00 O ATOM 53115 N1 G B2472 10.080 46.469 44.709 1.00 0.00 N ATOM 53116 C2 G B2472 11.300 46.861 44.192 1.00 0.00 C ATOM 53117 N2 G B2472 12.026 47.672 44.963 1.00 0.00 N ATOM 53118 N3 G B2472 11.745 46.477 43.000 1.00 0.00 N ATOM 53119 C4 G B2472 10.870 45.655 42.364 1.00 0.00 C ATOM 53120 P U B2473 16.009 43.127 37.836 1.00 0.00 P ATOM 53121 O1P U B2473 16.974 44.099 38.393 1.00 0.00 O ATOM 53122 O2P U B2473 15.336 43.535 36.582 1.00 0.00 O ATOM 53123 O5* U B2473 16.792 41.484 37.590 1.00 0.00 O ATOM 53124 C5* U B2473 17.102 40.779 36.360 1.00 0.00 C ATOM 53125 C4* U B2473 18.645 40.755 35.856 1.00 0.00 C ATOM 53126 O4* U B2473 19.055 41.169 34.522 1.00 0.00 O ATOM 53127 C3* U B2473 19.923 40.873 36.689 1.00 0.00 C ATOM 53128 O3* U B2473 19.868 39.984 37.947 1.00 0.00 O ATOM 53129 C2* U B2473 20.995 40.447 35.689 1.00 0.00 C ATOM 53130 O2* U B2473 20.994 39.039 35.522 1.00 0.00 O ATOM 53131 C1* U B2473 20.463 41.047 34.394 1.00 0.00 C ATOM 53132 N1 U B2473 21.101 42.577 34.006 1.00 0.00 N ATOM 53133 C2 U B2473 22.414 42.807 34.336 1.00 0.00 C ATOM 53134 O2 U B2473 23.082 42.018 34.985 1.00 0.00 O ATOM 53135 N3 U B2473 22.940 44.003 33.889 1.00 0.00 N ATOM 53136 C4 U B2473 22.276 44.965 33.152 1.00 0.00 C ATOM 53137 O4 U B2473 22.853 45.997 32.806 1.00 0.00 O ATOM 53138 C5 U B2473 20.904 44.634 32.856 1.00 0.00 C ATOM 53139 C6 U B2473 20.369 43.478 33.283 1.00 0.00 C ATOM 53140 P U B2474 20.064 40.779 39.573 1.00 0.00 P ATOM 53141 O1P U B2474 19.148 40.179 40.570 1.00 0.00 O ATOM 53142 O2P U B2474 20.070 42.254 39.507 1.00 0.00 O ATOM 53143 O5* U B2474 21.735 40.078 39.693 1.00 0.00 O ATOM 53144 C5* U B2474 23.079 40.218 39.216 1.00 0.00 C ATOM 53145 C4* U B2474 23.786 38.784 38.718 1.00 0.00 C ATOM 53146 O4* U B2474 23.884 38.570 37.282 1.00 0.00 O ATOM 53147 C3* U B2474 25.199 38.497 39.230 1.00 0.00 C ATOM 53148 O3* U B2474 25.764 38.803 40.621 1.00 0.00 O ATOM 53149 C2* U B2474 25.644 37.355 38.321 1.00 0.00 C ATOM 53150 O2* U B2474 25.038 36.137 38.712 1.00 0.00 O ATOM 53151 C1* U B2474 25.011 37.756 36.992 1.00 0.00 C ATOM 53152 N1 U B2474 26.011 38.594 35.980 1.00 0.00 N ATOM 53153 C2 U B2474 27.094 37.914 35.473 1.00 0.00 C ATOM 53154 O2 U B2474 27.246 36.711 35.616 1.00 0.00 O ATOM 53155 N3 U B2474 28.012 38.683 34.786 1.00 0.00 N ATOM 53156 C4 U B2474 27.936 40.044 34.568 1.00 0.00 C ATOM 53157 O4 U B2474 28.821 40.624 33.935 1.00 0.00 O ATOM 53158 C5 U B2474 26.765 40.669 35.134 1.00 0.00 C ATOM 53159 C6 U B2474 25.857 39.943 35.808 1.00 0.00 C ATOM 53160 P C B2475 27.497 39.392 40.521 1.00 0.00 P ATOM 53161 O1P C B2475 28.138 39.655 41.828 1.00 0.00 O ATOM 53162 O2P C B2475 27.583 40.482 39.527 1.00 0.00 O ATOM 53163 O5* C B2475 28.025 37.775 39.863 1.00 0.00 O ATOM 53164 C5* C B2475 29.181 36.963 40.111 1.00 0.00 C ATOM 53165 C4* C B2475 29.529 35.807 39.018 1.00 0.00 C ATOM 53166 O4* C B2475 29.572 36.158 37.606 1.00 0.00 O ATOM 53167 C3* C B2475 30.779 34.951 39.223 1.00 0.00 C ATOM 53168 O3* C B2475 30.858 34.168 40.549 1.00 0.00 O ATOM 53169 C2* C B2475 30.862 34.186 37.902 1.00 0.00 C ATOM 53170 O2* C B2475 29.907 33.139 37.870 1.00 0.00 O ATOM 53171 C1* C B2475 30.396 35.242 36.906 1.00 0.00 C ATOM 53172 N1 C B2475 31.666 36.124 36.148 1.00 0.00 N ATOM 53173 C2 C B2475 32.846 35.442 35.858 1.00 0.00 C ATOM 53174 O2 C B2475 32.940 34.250 36.169 1.00 0.00 O ATOM 53175 N3 C B2475 33.854 36.118 35.247 1.00 0.00 N ATOM 53176 C4 C B2475 33.712 37.411 34.924 1.00 0.00 C ATOM 53177 N4 C B2475 34.724 38.023 34.327 1.00 0.00 N ATOM 53178 C5 C B2475 32.507 38.124 35.214 1.00 0.00 C ATOM 53179 C6 C B2475 31.513 37.433 35.826 1.00 0.00 C ATOM 53180 P A B2476 29.428 33.164 41.139 1.00 0.00 P ATOM 53181 O1P A B2476 29.910 32.140 42.091 1.00 0.00 O ATOM 53182 O2P A B2476 28.559 32.668 40.044 1.00 0.00 O ATOM 53183 O5* A B2476 28.620 34.568 41.989 1.00 0.00 O ATOM 53184 C5* A B2476 28.686 35.453 43.121 1.00 0.00 C ATOM 53185 C4* A B2476 27.506 36.581 43.216 1.00 0.00 C ATOM 53186 O4* A B2476 26.499 36.554 42.164 1.00 0.00 O ATOM 53187 C3* A B2476 26.692 36.693 44.504 1.00 0.00 C ATOM 53188 O3* A B2476 27.583 37.366 45.573 1.00 0.00 O ATOM 53189 C2* A B2476 25.530 37.588 44.071 1.00 0.00 C ATOM 53190 O2* A B2476 25.949 38.942 43.980 1.00 0.00 O ATOM 53191 C1* A B2476 25.285 37.105 42.646 1.00 0.00 C ATOM 53192 N9 A B2476 24.087 35.947 42.499 1.00 0.00 N ATOM 53193 C8 A B2476 24.229 34.587 42.333 1.00 0.00 C ATOM 53194 N7 A B2476 23.117 33.970 42.083 1.00 0.00 N ATOM 53195 C5 A B2476 22.163 34.978 42.083 1.00 0.00 C ATOM 53196 C6 A B2476 20.775 34.972 41.877 1.00 0.00 C ATOM 53197 N6 A B2476 20.071 33.861 41.621 1.00 0.00 N ATOM 53198 N1 A B2476 20.134 36.153 41.948 1.00 0.00 N ATOM 53199 C2 A B2476 20.839 37.256 42.207 1.00 0.00 C ATOM 53200 N3 A B2476 22.130 37.385 42.412 1.00 0.00 N ATOM 53201 C4 A B2476 22.748 36.189 42.338 1.00 0.00 C ATOM 53202 P U B2477 27.622 36.779 47.290 1.00 0.00 P ATOM 53203 O1P U B2477 28.983 37.020 47.817 1.00 0.00 O ATOM 53204 O2P U B2477 27.068 35.428 47.536 1.00 0.00 O ATOM 53205 O5* U B2477 26.431 38.074 47.746 1.00 0.00 O ATOM 53206 C5* U B2477 25.540 38.577 48.748 1.00 0.00 C ATOM 53207 C4* U B2477 25.006 40.111 48.654 1.00 0.00 C ATOM 53208 O4* U B2477 25.146 40.921 47.452 1.00 0.00 O ATOM 53209 C3* U B2477 23.624 40.486 49.190 1.00 0.00 C ATOM 53210 O3* U B2477 22.806 39.755 50.213 1.00 0.00 O ATOM 53211 C2* U B2477 23.543 41.975 48.856 1.00 0.00 C ATOM 53212 O2* U B2477 24.322 42.739 49.757 1.00 0.00 O ATOM 53213 C1* U B2477 24.254 42.022 47.505 1.00 0.00 C ATOM 53214 N1 U B2477 23.224 41.939 46.162 1.00 0.00 N ATOM 53215 C2 U B2477 22.230 42.881 46.080 1.00 0.00 C ATOM 53216 O2 U B2477 22.112 43.794 46.882 1.00 0.00 O ATOM 53217 N3 U B2477 21.358 42.732 45.018 1.00 0.00 N ATOM 53218 C4 U B2477 21.399 41.744 44.057 1.00 0.00 C ATOM 53219 O4 U B2477 20.563 41.714 43.153 1.00 0.00 O ATOM 53220 C5 U B2477 22.479 40.803 44.228 1.00 0.00 C ATOM 53221 C6 U B2477 23.341 40.923 45.250 1.00 0.00 C ATOM 53222 P A B2478 21.015 40.043 50.114 1.00 0.00 P ATOM 53223 O1P A B2478 20.183 38.847 50.385 1.00 0.00 O ATOM 53224 O2P A B2478 20.632 40.839 48.929 1.00 0.00 O ATOM 53225 O5* A B2478 21.247 40.955 51.649 1.00 0.00 O ATOM 53226 C5* A B2478 21.504 40.948 53.053 1.00 0.00 C ATOM 53227 C4* A B2478 20.989 42.374 53.627 1.00 0.00 C ATOM 53228 O4* A B2478 20.938 43.408 52.601 1.00 0.00 O ATOM 53229 C3* A B2478 19.649 42.511 54.349 1.00 0.00 C ATOM 53230 O3* A B2478 19.388 41.773 55.617 1.00 0.00 O ATOM 53231 C2* A B2478 19.424 44.020 54.328 1.00 0.00 C ATOM 53232 O2* A B2478 20.240 44.665 55.289 1.00 0.00 O ATOM 53233 C1* A B2478 19.979 44.394 52.955 1.00 0.00 C ATOM 53234 N9 A B2478 18.833 44.474 51.738 1.00 0.00 N ATOM 53235 C8 A B2478 18.653 43.626 50.668 1.00 0.00 C ATOM 53236 N7 A B2478 17.677 43.972 49.887 1.00 0.00 N ATOM 53237 C5 A B2478 17.168 45.122 50.465 1.00 0.00 C ATOM 53238 C6 A B2478 16.113 45.979 50.108 1.00 0.00 C ATOM 53239 N6 A B2478 15.347 45.789 49.023 1.00 0.00 N ATOM 53240 N1 A B2478 15.879 47.035 50.906 1.00 0.00 N ATOM 53241 C2 A B2478 16.643 47.213 51.980 1.00 0.00 C ATOM 53242 N3 A B2478 17.649 46.487 52.412 1.00 0.00 N ATOM 53243 C4 A B2478 17.867 45.434 51.594 1.00 0.00 C ATOM 53244 P U B2479 18.610 40.110 55.482 1.00 0.00 P ATOM 53245 O1P U B2479 18.538 39.736 56.911 1.00 0.00 O ATOM 53246 O2P U B2479 19.223 39.106 54.584 1.00 0.00 O ATOM 53247 O5* U B2479 17.152 40.495 54.948 1.00 0.00 O ATOM 53248 C5* U B2479 16.410 41.526 55.626 1.00 0.00 C ATOM 53249 C4* U B2479 15.121 41.814 54.884 1.00 0.00 C ATOM 53250 O4* U B2479 15.442 42.430 53.604 1.00 0.00 O ATOM 53251 C3* U B2479 14.285 40.591 54.504 1.00 0.00 C ATOM 53252 O3* U B2479 13.466 40.186 55.556 1.00 0.00 O ATOM 53253 C2* U B2479 13.493 41.104 53.304 1.00 0.00 C ATOM 53254 O2* U B2479 12.432 41.948 53.728 1.00 0.00 O ATOM 53255 C1* U B2479 14.520 41.997 52.617 1.00 0.00 C ATOM 53256 N1 U B2479 15.285 41.305 51.543 1.00 0.00 N ATOM 53257 C2 U B2479 14.626 41.057 50.363 1.00 0.00 C ATOM 53258 O2 U B2479 13.465 41.380 50.172 1.00 0.00 O ATOM 53259 N3 U B2479 15.368 40.415 49.391 1.00 0.00 N ATOM 53260 C4 U B2479 16.682 40.010 49.498 1.00 0.00 C ATOM 53261 O4 U B2479 17.243 39.443 48.560 1.00 0.00 O ATOM 53262 C5 U B2479 17.290 40.311 50.774 1.00 0.00 C ATOM 53263 C6 U B2479 16.591 40.935 51.735 1.00 0.00 C ATOM 53264 P C B2480 13.156 38.592 55.743 1.00 0.00 P ATOM 53265 O1P C B2480 12.595 38.332 57.087 1.00 0.00 O ATOM 53266 O2P C B2480 14.362 37.813 55.384 1.00 0.00 O ATOM 53267 O5* C B2480 12.023 38.375 54.631 1.00 0.00 O ATOM 53268 C5* C B2480 10.793 39.115 54.739 1.00 0.00 C ATOM 53269 C4* C B2480 9.923 38.851 53.526 1.00 0.00 C ATOM 53270 O4* C B2480 10.559 39.438 52.352 1.00 0.00 O ATOM 53271 C3* C B2480 9.735 37.383 53.147 1.00 0.00 C ATOM 53272 O3* C B2480 8.709 36.792 53.878 1.00 0.00 O ATOM 53273 C2* C B2480 9.415 37.478 51.655 1.00 0.00 C ATOM 53274 O2* C B2480 8.081 37.906 51.453 1.00 0.00 O ATOM 53275 C1* C B2480 10.323 38.622 51.218 1.00 0.00 C ATOM 53276 N1 C B2480 11.641 38.173 50.689 1.00 0.00 N ATOM 53277 C2 C B2480 11.671 37.602 49.419 1.00 0.00 C ATOM 53278 O2 C B2480 10.613 37.491 48.791 1.00 0.00 O ATOM 53279 N3 C B2480 12.864 37.187 48.922 1.00 0.00 N ATOM 53280 C4 C B2480 13.988 37.325 49.635 1.00 0.00 C ATOM 53281 N4 C B2480 15.126 36.904 49.104 1.00 0.00 N ATOM 53282 C5 C B2480 13.978 37.912 50.941 1.00 0.00 C ATOM 53283 C6 C B2480 12.777 38.319 51.423 1.00 0.00 C ATOM 53284 P G B2481 6.925 37.195 53.978 1.00 0.00 P ATOM 53285 O1P G B2481 6.540 38.427 53.254 1.00 0.00 O ATOM 53286 O2P G B2481 6.406 37.069 55.360 1.00 0.00 O ATOM 53287 O5* G B2481 6.606 35.677 53.033 1.00 0.00 O ATOM 53288 C5* G B2481 7.212 34.394 52.849 1.00 0.00 C ATOM 53289 C4* G B2481 8.504 34.089 53.776 1.00 0.00 C ATOM 53290 O4* G B2481 9.693 33.387 53.303 1.00 0.00 O ATOM 53291 C3* G B2481 8.790 34.339 55.259 1.00 0.00 C ATOM 53292 O3* G B2481 7.715 34.862 56.209 1.00 0.00 O ATOM 53293 C2* G B2481 9.555 33.080 55.661 1.00 0.00 C ATOM 53294 O2* G B2481 8.668 31.982 55.812 1.00 0.00 O ATOM 53295 C1* G B2481 10.378 32.811 54.404 1.00 0.00 C ATOM 53296 N9 G B2481 11.973 33.448 54.443 1.00 0.00 N ATOM 53297 C8 G B2481 12.916 33.498 53.438 1.00 0.00 C ATOM 53298 N7 G B2481 14.083 33.947 53.828 1.00 0.00 N ATOM 53299 C5 G B2481 13.908 34.211 55.184 1.00 0.00 C ATOM 53300 C6 G B2481 14.821 34.714 56.146 1.00 0.00 C ATOM 53301 O6 G B2481 15.999 35.037 55.997 1.00 0.00 O ATOM 53302 N1 G B2481 14.224 34.829 57.407 1.00 0.00 N ATOM 53303 C2 G B2481 12.914 34.507 57.702 1.00 0.00 C ATOM 53304 N2 G B2481 12.534 34.691 58.969 1.00 0.00 N ATOM 53305 N3 G B2481 12.058 34.029 56.802 1.00 0.00 N ATOM 53306 C4 G B2481 12.623 33.911 55.567 1.00 0.00 C ATOM 53307 P A B2482 8.358 35.808 57.642 1.00 0.00 P ATOM 53308 O1P A B2482 7.651 37.097 57.824 1.00 0.00 O ATOM 53309 O2P A B2482 9.836 35.881 57.640 1.00 0.00 O ATOM 53310 O5* A B2482 7.722 34.559 58.796 1.00 0.00 O ATOM 53311 C5* A B2482 6.842 33.457 59.011 1.00 0.00 C ATOM 53312 C4* A B2482 7.556 32.031 58.707 1.00 0.00 C ATOM 53313 O4* A B2482 8.962 31.985 59.092 1.00 0.00 O ATOM 53314 C3* A B2482 7.023 30.653 59.089 1.00 0.00 C ATOM 53315 O3* A B2482 5.597 30.139 59.228 1.00 0.00 O ATOM 53316 C2* A B2482 8.214 29.749 58.775 1.00 0.00 C ATOM 53317 O2* A B2482 8.332 29.540 57.375 1.00 0.00 O ATOM 53318 C1* A B2482 9.387 30.633 59.190 1.00 0.00 C ATOM 53319 N9 A B2482 9.932 30.373 60.717 1.00 0.00 N ATOM 53320 C8 A B2482 10.290 31.305 61.667 1.00 0.00 C ATOM 53321 N7 A B2482 10.510 30.803 62.842 1.00 0.00 N ATOM 53322 C5 A B2482 10.288 29.441 62.672 1.00 0.00 C ATOM 53323 C6 A B2482 10.362 28.350 63.555 1.00 0.00 C ATOM 53324 N6 A B2482 10.693 28.472 64.851 1.00 0.00 N ATOM 53325 N1 A B2482 10.081 27.132 63.060 1.00 0.00 N ATOM 53326 C2 A B2482 9.751 27.024 61.774 1.00 0.00 C ATOM 53327 N3 A B2482 9.647 27.963 60.858 1.00 0.00 N ATOM 53328 C4 A B2482 9.936 29.174 61.378 1.00 0.00 C ATOM 53329 P C B2483 4.972 29.745 60.916 1.00 0.00 P ATOM 53330 O1P C B2483 5.970 30.065 61.965 1.00 0.00 O ATOM 53331 O2P C B2483 4.439 28.367 60.935 1.00 0.00 O ATOM 53332 O5* C B2483 3.593 30.964 60.922 1.00 0.00 O ATOM 53333 C5* C B2483 2.367 31.783 60.871 1.00 0.00 C ATOM 53334 C4* C B2483 2.613 33.432 60.783 1.00 0.00 C ATOM 53335 O4* C B2483 3.296 33.754 62.027 1.00 0.00 O ATOM 53336 C3* C B2483 3.428 34.167 59.714 1.00 0.00 C ATOM 53337 O3* C B2483 3.277 34.050 58.124 1.00 0.00 O ATOM 53338 C2* C B2483 3.829 35.446 60.446 1.00 0.00 C ATOM 53339 O2* C B2483 2.736 36.348 60.520 1.00 0.00 O ATOM 53340 C1* C B2483 4.077 34.930 61.859 1.00 0.00 C ATOM 53341 N1 C B2483 5.703 34.548 62.202 1.00 0.00 N ATOM 53342 C2 C B2483 6.667 35.511 61.926 1.00 0.00 C ATOM 53343 O2 C B2483 6.309 36.595 61.445 1.00 0.00 O ATOM 53344 N3 C B2483 7.972 35.224 62.188 1.00 0.00 N ATOM 53345 C4 C B2483 8.317 34.042 62.707 1.00 0.00 C ATOM 53346 N4 C B2483 9.598 33.812 62.945 1.00 0.00 N ATOM 53347 C5 C B2483 7.335 33.036 62.998 1.00 0.00 C ATOM 53348 C6 C B2483 6.044 33.342 62.729 1.00 0.00 C ATOM 53349 P G B2484 3.799 32.259 57.649 1.00 0.00 P ATOM 53350 O1P G B2484 2.941 31.732 58.733 1.00 0.00 O ATOM 53351 O2P G B2484 5.255 32.051 57.821 1.00 0.00 O ATOM 53352 O5* G B2484 3.329 31.655 56.244 1.00 0.00 O ATOM 53353 C5* G B2484 2.052 32.049 55.706 1.00 0.00 C ATOM 53354 C4* G B2484 1.869 31.465 54.322 1.00 0.00 C ATOM 53355 O4* G B2484 2.815 32.093 53.413 1.00 0.00 O ATOM 53356 C3* G B2484 2.168 29.968 54.187 1.00 0.00 C ATOM 53357 O3* G B2484 1.069 29.193 54.548 1.00 0.00 O ATOM 53358 C2* G B2484 2.515 29.843 52.705 1.00 0.00 C ATOM 53359 O2* G B2484 1.341 29.885 51.909 1.00 0.00 O ATOM 53360 C1* G B2484 3.265 31.149 52.456 1.00 0.00 C ATOM 53361 N9 G B2484 4.741 31.023 52.592 1.00 0.00 N ATOM 53362 C8 G B2484 5.564 31.464 53.606 1.00 0.00 C ATOM 53363 N7 G B2484 6.833 31.193 53.423 1.00 0.00 N ATOM 53364 C5 G B2484 6.855 30.522 52.198 1.00 0.00 C ATOM 53365 C6 G B2484 7.945 29.976 51.476 1.00 0.00 C ATOM 53366 O6 G B2484 9.139 29.974 51.766 1.00 0.00 O ATOM 53367 N1 G B2484 7.521 29.380 50.280 1.00 0.00 N ATOM 53368 C2 G B2484 6.213 29.318 49.842 1.00 0.00 C ATOM 53369 N2 G B2484 6.011 28.707 48.674 1.00 0.00 N ATOM 53370 N3 G B2484 5.187 29.829 50.524 1.00 0.00 N ATOM 53371 C4 G B2484 5.585 30.413 51.685 1.00 0.00 C ATOM 53372 P G B2485 1.328 27.749 55.268 1.00 0.00 P ATOM 53373 O1P G B2485 0.084 27.257 55.897 1.00 0.00 O ATOM 53374 O2P G B2485 2.505 27.850 56.161 1.00 0.00 O ATOM 53375 O5* G B2485 1.688 26.844 53.996 1.00 0.00 O ATOM 53376 C5* G B2485 0.713 26.685 52.954 1.00 0.00 C ATOM 53377 C4* G B2485 1.306 25.899 51.803 1.00 0.00 C ATOM 53378 O4* G B2485 2.340 26.701 51.167 1.00 0.00 O ATOM 53379 C3* G B2485 2.027 24.602 52.184 1.00 0.00 C ATOM 53380 O3* G B2485 1.133 23.542 52.312 1.00 0.00 O ATOM 53381 C2* G B2485 2.991 24.420 51.015 1.00 0.00 C ATOM 53382 O2* G B2485 2.314 23.942 49.868 1.00 0.00 O ATOM 53383 C1* G B2485 3.394 25.865 50.719 1.00 0.00 C ATOM 53384 N9 G B2485 4.644 26.290 51.411 1.00 0.00 N ATOM 53385 C8 G B2485 4.798 27.122 52.500 1.00 0.00 C ATOM 53386 N7 G B2485 6.045 27.295 52.867 1.00 0.00 N ATOM 53387 C5 G B2485 6.769 26.525 51.957 1.00 0.00 C ATOM 53388 C6 G B2485 8.167 26.315 51.846 1.00 0.00 C ATOM 53389 O6 G B2485 9.072 26.772 52.537 1.00 0.00 O ATOM 53390 N1 G B2485 8.475 25.460 50.779 1.00 0.00 N ATOM 53391 C2 G B2485 7.548 24.881 49.930 1.00 0.00 C ATOM 53392 N2 G B2485 8.046 24.091 48.974 1.00 0.00 N ATOM 53393 N3 G B2485 6.238 25.077 50.034 1.00 0.00 N ATOM 53394 C4 G B2485 5.923 25.908 51.064 1.00 0.00 C ATOM 53395 P C B2486 1.444 22.390 53.429 1.00 0.00 P ATOM 53396 O1P C B2486 0.233 21.573 53.669 1.00 0.00 O ATOM 53397 O2P C B2486 2.047 23.014 54.626 1.00 0.00 O ATOM 53398 O5* C B2486 2.542 21.517 52.660 1.00 0.00 O ATOM 53399 C5* C B2486 2.191 20.888 51.414 1.00 0.00 C ATOM 53400 C4* C B2486 3.408 20.223 50.807 1.00 0.00 C ATOM 53401 O4* C B2486 4.356 21.254 50.400 1.00 0.00 O ATOM 53402 C3* C B2486 4.218 19.329 51.746 1.00 0.00 C ATOM 53403 O3* C B2486 3.682 18.045 51.819 1.00 0.00 O ATOM 53404 C2* C B2486 5.601 19.355 51.099 1.00 0.00 C ATOM 53405 O2* C B2486 5.635 18.520 49.954 1.00 0.00 O ATOM 53406 C1* C B2486 5.683 20.795 50.603 1.00 0.00 C ATOM 53407 N1 C B2486 6.347 21.720 51.560 1.00 0.00 N ATOM 53408 C2 C B2486 7.731 21.635 51.691 1.00 0.00 C ATOM 53409 O2 C B2486 8.346 20.806 51.011 1.00 0.00 O ATOM 53410 N3 C B2486 8.359 22.472 52.560 1.00 0.00 N ATOM 53411 C4 C B2486 7.656 23.359 53.276 1.00 0.00 C ATOM 53412 N4 C B2486 8.316 24.152 54.109 1.00 0.00 N ATOM 53413 C5 C B2486 6.235 23.463 53.158 1.00 0.00 C ATOM 53414 C6 C B2486 5.627 22.619 52.285 1.00 0.00 C ATOM 53415 P G B2487 3.782 17.232 53.231 1.00 0.00 P ATOM 53416 O1P G B2487 2.857 16.076 53.223 1.00 0.00 O ATOM 53417 O2P G B2487 3.621 18.178 54.356 1.00 0.00 O ATOM 53418 O5* G B2487 5.297 16.714 53.173 1.00 0.00 O ATOM 53419 C5* G B2487 5.695 15.848 52.094 1.00 0.00 C ATOM 53420 C4* G B2487 7.186 15.586 52.167 1.00 0.00 C ATOM 53421 O4* G B2487 7.898 16.824 51.875 1.00 0.00 O ATOM 53422 C3* G B2487 7.722 15.166 53.535 1.00 0.00 C ATOM 53423 O3* G B2487 7.579 13.798 53.745 1.00 0.00 O ATOM 53424 C2* G B2487 9.187 15.598 53.450 1.00 0.00 C ATOM 53425 O2* G B2487 9.933 14.689 52.656 1.00 0.00 O ATOM 53426 C1* G B2487 9.080 16.896 52.656 1.00 0.00 C ATOM 53427 N9 G B2487 8.991 18.112 53.512 1.00 0.00 N ATOM 53428 C8 G B2487 7.900 18.911 53.781 1.00 0.00 C ATOM 53429 N7 G B2487 8.160 19.919 54.582 1.00 0.00 N ATOM 53430 C5 G B2487 9.519 19.777 54.862 1.00 0.00 C ATOM 53431 C6 G B2487 10.374 20.566 55.672 1.00 0.00 C ATOM 53432 O6 G B2487 10.100 21.574 56.325 1.00 0.00 O ATOM 53433 N1 G B2487 11.680 20.066 55.681 1.00 0.00 N ATOM 53434 C2 G B2487 12.110 18.947 54.994 1.00 0.00 C ATOM 53435 N2 G B2487 13.401 18.633 55.132 1.00 0.00 N ATOM 53436 N3 G B2487 11.308 18.204 54.233 1.00 0.00 N ATOM 53437 C4 G B2487 10.035 18.677 54.213 1.00 0.00 C ATOM 53438 P G B2488 7.282 13.260 55.257 1.00 0.00 P ATOM 53439 O1P G B2488 6.801 11.861 55.217 1.00 0.00 O ATOM 53440 O2P G B2488 6.401 14.225 55.956 1.00 0.00 O ATOM 53441 O5* G B2488 8.750 13.311 55.887 1.00 0.00 O ATOM 53442 C5* G B2488 9.793 12.512 55.295 1.00 0.00 C ATOM 53443 C4* G B2488 11.118 12.809 55.967 1.00 0.00 C ATOM 53444 O4* G B2488 11.520 14.172 55.640 1.00 0.00 O ATOM 53445 C3* G B2488 11.110 12.785 57.496 1.00 0.00 C ATOM 53446 O3* G B2488 11.267 11.493 57.990 1.00 0.00 O ATOM 53447 C2* G B2488 12.291 13.694 57.836 1.00 0.00 C ATOM 53448 O2* G B2488 13.518 13.018 57.633 1.00 0.00 O ATOM 53449 C1* G B2488 12.184 14.756 56.748 1.00 0.00 C ATOM 53450 N9 G B2488 11.413 15.962 57.160 1.00 0.00 N ATOM 53451 C8 G B2488 10.141 16.348 56.796 1.00 0.00 C ATOM 53452 N7 G B2488 9.750 17.475 57.343 1.00 0.00 N ATOM 53453 C5 G B2488 10.839 17.862 58.124 1.00 0.00 C ATOM 53454 C6 G B2488 11.011 19.003 58.949 1.00 0.00 C ATOM 53455 O6 G B2488 10.226 19.922 59.168 1.00 0.00 O ATOM 53456 N1 G B2488 12.274 19.002 59.560 1.00 0.00 N ATOM 53457 C2 G B2488 13.240 18.031 59.396 1.00 0.00 C ATOM 53458 N2 G B2488 14.378 18.215 60.066 1.00 0.00 N ATOM 53459 N3 G B2488 13.076 16.962 58.619 1.00 0.00 N ATOM 53460 C4 G B2488 11.858 16.945 58.018 1.00 0.00 C ATOM 53461 P U B2489 10.508 11.084 59.377 1.00 0.00 P ATOM 53462 O1P U B2489 10.490 9.615 59.535 1.00 0.00 O ATOM 53463 O2P U B2489 9.190 11.753 59.432 1.00 0.00 O ATOM 53464 O5* U B2489 11.489 11.734 60.460 1.00 0.00 O ATOM 53465 C5* U B2489 12.859 11.289 60.516 1.00 0.00 C ATOM 53466 C4* U B2489 13.633 12.118 61.519 1.00 0.00 C ATOM 53467 O4* U B2489 13.751 13.480 61.015 1.00 0.00 O ATOM 53468 C3* U B2489 12.976 12.293 62.890 1.00 0.00 C ATOM 53469 O3* U B2489 13.250 11.212 63.728 1.00 0.00 O ATOM 53470 C2* U B2489 13.602 13.594 63.382 1.00 0.00 C ATOM 53471 O2* U B2489 14.932 13.379 63.825 1.00 0.00 O ATOM 53472 C1* U B2489 13.689 14.402 62.091 1.00 0.00 C ATOM 53473 N1 U B2489 12.519 15.297 61.865 1.00 0.00 N ATOM 53474 C2 U B2489 12.445 16.433 62.635 1.00 0.00 C ATOM 53475 O2 U B2489 13.281 16.722 63.472 1.00 0.00 O ATOM 53476 N3 U B2489 11.349 17.237 62.397 1.00 0.00 N ATOM 53477 C4 U B2489 10.345 17.007 61.477 1.00 0.00 C ATOM 53478 O4 U B2489 9.411 17.804 61.352 1.00 0.00 O ATOM 53479 C5 U B2489 10.513 15.791 60.717 1.00 0.00 C ATOM 53480 C6 U B2489 11.571 14.989 60.928 1.00 0.00 C ATOM 53481 P G B2490 12.114 10.744 64.801 1.00 0.00 P ATOM 53482 O1P G B2490 12.429 9.394 65.324 1.00 0.00 O ATOM 53483 O2P G B2490 10.773 10.903 64.197 1.00 0.00 O ATOM 53484 O5* G B2490 12.321 11.831 65.953 1.00 0.00 O ATOM 53485 C5* G B2490 13.596 11.913 66.617 1.00 0.00 C ATOM 53486 C4* G B2490 13.609 13.085 67.576 1.00 0.00 C ATOM 53487 O4* G B2490 13.557 14.323 66.810 1.00 0.00 O ATOM 53488 C3* G B2490 12.410 13.189 68.520 1.00 0.00 C ATOM 53489 O3* G B2490 12.579 12.394 69.652 1.00 0.00 O ATOM 53490 C2* G B2490 12.383 14.680 68.844 1.00 0.00 C ATOM 53491 O2* G B2490 13.399 15.009 69.777 1.00 0.00 O ATOM 53492 C1* G B2490 12.794 15.292 67.509 1.00 0.00 C ATOM 53493 N9 G B2490 11.640 15.678 66.649 1.00 0.00 N ATOM 53494 C8 G B2490 11.157 15.063 65.515 1.00 0.00 C ATOM 53495 N7 G B2490 10.114 15.663 64.986 1.00 0.00 N ATOM 53496 C5 G B2490 9.893 16.749 65.833 1.00 0.00 C ATOM 53497 C6 G B2490 8.903 17.762 65.775 1.00 0.00 C ATOM 53498 O6 G B2490 8.002 17.914 64.953 1.00 0.00 O ATOM 53499 N1 G B2490 9.041 18.673 66.831 1.00 0.00 N ATOM 53500 C2 G B2490 10.008 18.609 67.815 1.00 0.00 C ATOM 53501 N2 G B2490 9.971 19.572 68.735 1.00 0.00 N ATOM 53502 N3 G B2490 10.938 17.659 67.867 1.00 0.00 N ATOM 53503 C4 G B2490 10.820 16.766 66.849 1.00 0.00 C ATOM 53504 P U B2491 11.268 11.693 70.324 1.00 0.00 P ATOM 53505 O1P U B2491 11.681 10.622 71.259 1.00 0.00 O ATOM 53506 O2P U B2491 10.325 11.287 69.257 1.00 0.00 O ATOM 53507 O5* U B2491 10.656 12.925 71.145 1.00 0.00 O ATOM 53508 C5* U B2491 11.449 13.536 72.178 1.00 0.00 C ATOM 53509 C4* U B2491 10.732 14.749 72.733 1.00 0.00 C ATOM 53510 O4* U B2491 10.682 15.779 71.703 1.00 0.00 O ATOM 53511 C3* U B2491 9.266 14.539 73.116 1.00 0.00 C ATOM 53512 O3* U B2491 9.144 14.010 74.398 1.00 0.00 O ATOM 53513 C2* U B2491 8.700 15.953 73.006 1.00 0.00 C ATOM 53514 O2* U B2491 9.087 16.739 74.121 1.00 0.00 O ATOM 53515 C1* U B2491 9.458 16.495 71.798 1.00 0.00 C ATOM 53516 N1 U B2491 8.731 16.331 70.511 1.00 0.00 N ATOM 53517 C2 U B2491 7.664 17.169 70.283 1.00 0.00 C ATOM 53518 O2 U B2491 7.305 18.019 71.084 1.00 0.00 O ATOM 53519 N3 U B2491 7.012 16.988 69.081 1.00 0.00 N ATOM 53520 C4 U B2491 7.330 16.064 68.106 1.00 0.00 C ATOM 53521 O4 U B2491 6.670 15.995 67.066 1.00 0.00 O ATOM 53522 C5 U B2491 8.463 15.229 68.434 1.00 0.00 C ATOM 53523 C6 U B2491 9.114 15.384 69.597 1.00 0.00 C ATOM 53524 P U B2492 7.914 12.980 74.708 1.00 0.00 P ATOM 53525 O1P U B2492 8.160 12.255 75.975 1.00 0.00 O ATOM 53526 O2P U B2492 7.670 12.132 73.518 1.00 0.00 O ATOM 53527 O5* U B2492 6.702 14.008 74.900 1.00 0.00 O ATOM 53528 C5* U B2492 6.778 14.989 75.950 1.00 0.00 C ATOM 53529 C4* U B2492 5.593 15.930 75.866 1.00 0.00 C ATOM 53530 O4* U B2492 5.710 16.732 74.655 1.00 0.00 O ATOM 53531 C3* U B2492 4.222 15.264 75.734 1.00 0.00 C ATOM 53532 O3* U B2492 3.711 14.893 76.976 1.00 0.00 O ATOM 53533 C2* U B2492 3.398 16.360 75.060 1.00 0.00 C ATOM 53534 O2* U B2492 3.040 17.365 75.989 1.00 0.00 O ATOM 53535 C1* U B2492 4.424 16.974 74.112 1.00 0.00 C ATOM 53536 N1 U B2492 4.389 16.399 72.738 1.00 0.00 N ATOM 53537 C2 U B2492 3.341 16.766 71.930 1.00 0.00 C ATOM 53538 O2 U B2492 2.460 17.528 72.295 1.00 0.00 O ATOM 53539 N3 U B2492 3.344 16.216 70.665 1.00 0.00 N ATOM 53540 C4 U B2492 4.283 15.345 70.154 1.00 0.00 C ATOM 53541 O4 U B2492 4.181 14.915 69.002 1.00 0.00 O ATOM 53542 C5 U B2492 5.345 15.018 71.074 1.00 0.00 C ATOM 53543 C6 U B2492 5.369 15.541 72.312 1.00 0.00 C ATOM 53544 P U B2493 3.430 13.103 76.782 1.00 0.00 P ATOM 53545 O1P U B2493 2.928 12.478 78.026 1.00 0.00 O ATOM 53546 O2P U B2493 4.496 12.357 76.073 1.00 0.00 O ATOM 53547 O5* U B2493 2.268 13.714 75.540 1.00 0.00 O ATOM 53548 C5* U B2493 1.250 14.632 75.064 1.00 0.00 C ATOM 53549 C4* U B2493 -0.155 13.798 75.305 1.00 0.00 C ATOM 53550 O4* U B2493 -0.480 12.920 74.185 1.00 0.00 O ATOM 53551 C3* U B2493 0.084 12.833 76.467 1.00 0.00 C ATOM 53552 O3* U B2493 0.309 13.605 77.779 1.00 0.00 O ATOM 53553 C2* U B2493 -0.946 11.738 76.195 1.00 0.00 C ATOM 53554 O2* U B2493 -2.245 12.168 76.556 1.00 0.00 O ATOM 53555 C1* U B2493 -0.910 11.661 74.673 1.00 0.00 C ATOM 53556 N1 U B2493 0.131 10.457 74.045 1.00 0.00 N ATOM 53557 C2 U B2493 -0.316 9.752 72.951 1.00 0.00 C ATOM 53558 O2 U B2493 -1.432 9.894 72.487 1.00 0.00 O ATOM 53559 N3 U B2493 0.588 8.865 72.405 1.00 0.00 N ATOM 53560 C4 U B2493 1.871 8.628 72.850 1.00 0.00 C ATOM 53561 O4 U B2493 2.593 7.807 72.279 1.00 0.00 O ATOM 53562 C5 U B2493 2.252 9.415 74.004 1.00 0.00 C ATOM 53563 C6 U B2493 1.393 10.285 74.551 1.00 0.00 C ATOM 53564 P G B2494 0.784 15.422 77.892 1.00 0.00 P ATOM 53565 O1P G B2494 2.092 15.920 77.409 1.00 0.00 O ATOM 53566 O2P G B2494 0.529 15.588 79.340 1.00 0.00 O ATOM 53567 O5* G B2494 -0.397 16.099 77.052 1.00 0.00 O ATOM 53568 C5* G B2494 -0.839 17.422 77.412 1.00 0.00 C ATOM 53569 C4* G B2494 -1.870 17.911 76.414 1.00 0.00 C ATOM 53570 O4* G B2494 -1.220 18.119 75.128 1.00 0.00 O ATOM 53571 C3* G B2494 -3.006 16.940 76.098 1.00 0.00 C ATOM 53572 O3* G B2494 -4.030 17.025 77.040 1.00 0.00 O ATOM 53573 C2* G B2494 -3.445 17.400 74.710 1.00 0.00 C ATOM 53574 O2* G B2494 -4.214 18.587 74.792 1.00 0.00 O ATOM 53575 C1* G B2494 -2.110 17.780 74.077 1.00 0.00 C ATOM 53576 N9 G B2494 -1.490 16.682 73.284 1.00 0.00 N ATOM 53577 C8 G B2494 -0.408 15.887 73.599 1.00 0.00 C ATOM 53578 N7 G B2494 -0.111 15.004 72.675 1.00 0.00 N ATOM 53579 C5 G B2494 -1.062 15.231 71.680 1.00 0.00 C ATOM 53580 C6 G B2494 -1.249 14.585 70.432 1.00 0.00 C ATOM 53581 O6 G B2494 -0.605 13.662 69.936 1.00 0.00 O ATOM 53582 N1 G B2494 -2.334 15.129 69.731 1.00 0.00 N ATOM 53583 C2 G B2494 -3.132 16.165 70.179 1.00 0.00 C ATOM 53584 N2 G B2494 -4.118 16.539 69.364 1.00 0.00 N ATOM 53585 N3 G B2494 -2.957 16.771 71.351 1.00 0.00 N ATOM 53586 C4 G B2494 -1.905 16.253 72.042 1.00 0.00 C ATOM 53587 P G B2495 -4.859 15.673 77.424 1.00 0.00 P ATOM 53588 O1P G B2495 -5.625 15.880 78.673 1.00 0.00 O ATOM 53589 O2P G B2495 -3.938 14.513 77.420 1.00 0.00 O ATOM 53590 O5* G B2495 -5.862 15.569 76.183 1.00 0.00 O ATOM 53591 C5* G B2495 -6.790 16.644 75.945 1.00 0.00 C ATOM 53592 C4* G B2495 -7.549 16.400 74.658 1.00 0.00 C ATOM 53593 O4* G B2495 -6.624 16.511 73.537 1.00 0.00 O ATOM 53594 C3* G B2495 -8.156 15.005 74.497 1.00 0.00 C ATOM 53595 O3* G B2495 -9.396 14.913 75.123 1.00 0.00 O ATOM 53596 C2* G B2495 -8.251 14.871 72.979 1.00 0.00 C ATOM 53597 O2* G B2495 -9.343 15.622 72.474 1.00 0.00 O ATOM 53598 C1* G B2495 -6.981 15.579 72.527 1.00 0.00 C ATOM 53599 N9 G B2495 -5.823 14.661 72.321 1.00 0.00 N ATOM 53600 C8 G B2495 -4.705 14.481 73.108 1.00 0.00 C ATOM 53601 N7 G B2495 -3.865 13.584 72.643 1.00 0.00 N ATOM 53602 C5 G B2495 -4.472 13.142 71.467 1.00 0.00 C ATOM 53603 C6 G B2495 -4.039 12.174 70.524 1.00 0.00 C ATOM 53604 O6 G B2495 -3.015 11.496 70.531 1.00 0.00 O ATOM 53605 N1 G B2495 -4.957 12.032 69.476 1.00 0.00 N ATOM 53606 C2 G B2495 -6.141 12.733 69.354 1.00 0.00 C ATOM 53607 N2 G B2495 -6.881 12.455 68.281 1.00 0.00 N ATOM 53608 N3 G B2495 -6.547 13.641 70.239 1.00 0.00 N ATOM 53609 C4 G B2495 -5.664 13.794 71.263 1.00 0.00 C ATOM 53610 P C B2496 -9.830 13.493 75.799 1.00 0.00 P ATOM 53611 O1P C B2496 -10.981 13.688 76.713 1.00 0.00 O ATOM 53612 O2P C B2496 -8.638 12.847 76.395 1.00 0.00 O ATOM 53613 O5* C B2496 -10.301 12.675 74.508 1.00 0.00 O ATOM 53614 C5* C B2496 -11.396 13.179 73.720 1.00 0.00 C ATOM 53615 C4* C B2496 -11.585 12.323 72.486 1.00 0.00 C ATOM 53616 O4* C B2496 -10.437 12.502 71.606 1.00 0.00 O ATOM 53617 C3* C B2496 -11.636 10.814 72.724 1.00 0.00 C ATOM 53618 O3* C B2496 -12.916 10.396 73.083 1.00 0.00 O ATOM 53619 C2* C B2496 -11.194 10.262 71.369 1.00 0.00 C ATOM 53620 O2* C B2496 -12.248 10.350 70.422 1.00 0.00 O ATOM 53621 C1* C B2496 -10.139 11.281 70.951 1.00 0.00 C ATOM 53622 N1 C B2496 -8.750 10.886 71.323 1.00 0.00 N ATOM 53623 C2 C B2496 -8.140 9.880 70.582 1.00 0.00 C ATOM 53624 O2 C B2496 -8.770 9.357 69.656 1.00 0.00 O ATOM 53625 N3 C B2496 -6.875 9.506 70.904 1.00 0.00 N ATOM 53626 C4 C B2496 -6.228 10.099 71.917 1.00 0.00 C ATOM 53627 N4 C B2496 -4.995 9.697 72.191 1.00 0.00 N ATOM 53628 C5 C B2496 -6.835 11.137 72.691 1.00 0.00 C ATOM 53629 C6 C B2496 -8.101 11.495 72.353 1.00 0.00 C ATOM 53630 P A B2497 -13.790 8.816 73.073 1.00 0.00 P ATOM 53631 O1P A B2497 -14.376 8.502 71.750 1.00 0.00 O ATOM 53632 O2P A B2497 -14.707 8.696 74.228 1.00 0.00 O ATOM 53633 O5* A B2497 -12.210 8.062 73.453 1.00 0.00 O ATOM 53634 C5* A B2497 -10.834 8.261 73.790 1.00 0.00 C ATOM 53635 C4* A B2497 -10.108 7.732 72.476 1.00 0.00 C ATOM 53636 O4* A B2497 -10.903 7.367 71.311 1.00 0.00 O ATOM 53637 C3* A B2497 -8.710 7.222 72.148 1.00 0.00 C ATOM 53638 O3* A B2497 -7.445 7.921 73.107 1.00 0.00 O ATOM 53639 C2* A B2497 -9.012 5.930 71.385 1.00 0.00 C ATOM 53640 O2* A B2497 -9.393 4.897 72.274 1.00 0.00 O ATOM 53641 C1* A B2497 -10.257 6.321 70.597 1.00 0.00 C ATOM 53642 N9 A B2497 -9.957 6.856 69.027 1.00 0.00 N ATOM 53643 C8 A B2497 -10.314 8.055 68.450 1.00 0.00 C ATOM 53644 N7 A B2497 -10.116 8.102 67.171 1.00 0.00 N ATOM 53645 C5 A B2497 -9.585 6.854 66.864 1.00 0.00 C ATOM 53646 C6 A B2497 -9.161 6.275 65.659 1.00 0.00 C ATOM 53647 N6 A B2497 -9.198 6.910 64.477 1.00 0.00 N ATOM 53648 N1 A B2497 -8.690 5.017 65.706 1.00 0.00 N ATOM 53649 C2 A B2497 -8.649 4.391 66.885 1.00 0.00 C ATOM 53650 N3 A B2497 -9.020 4.829 68.067 1.00 0.00 N ATOM 53651 C4 A B2497 -9.490 6.090 67.989 1.00 0.00 C HETATM53652 P 5MC B2498 -5.813 7.990 74.221 1.00 0.00 P HETATM53653 O1P 5MC B2498 -5.970 9.308 74.875 1.00 0.00 O HETATM53654 O2P 5MC B2498 -5.599 6.842 75.131 1.00 0.00 O HETATM53655 O5* 5MC B2498 -4.100 7.839 73.402 1.00 0.00 O HETATM53656 C5* 5MC B2498 -2.794 7.363 73.998 1.00 0.00 C HETATM53657 C4* 5MC B2498 -2.286 7.593 75.582 1.00 0.00 C HETATM53658 O4* 5MC B2498 -2.731 8.691 76.436 1.00 0.00 O HETATM53659 C3* 5MC B2498 -1.127 6.966 76.359 1.00 0.00 C HETATM53660 O3* 5MC B2498 -0.105 6.042 75.632 1.00 0.00 O HETATM53661 C2* 5MC B2498 -0.478 8.189 77.014 1.00 0.00 C HETATM53662 O2* 5MC B2498 0.288 8.914 76.063 1.00 0.00 O HETATM53663 C1* 5MC B2498 -1.695 9.045 77.342 1.00 0.00 C HETATM53664 N1 5MC B2498 -2.316 8.853 79.012 1.00 0.00 N HETATM53665 C2 5MC B2498 -1.406 9.575 79.783 1.00 0.00 C HETATM53666 O2 5MC B2498 -0.353 9.957 79.263 1.00 0.00 O HETATM53667 N3 5MC B2498 -1.712 9.826 81.083 1.00 0.00 N HETATM53668 C4 5MC B2498 -2.862 9.395 81.610 1.00 0.00 C HETATM53669 N4 5MC B2498 -3.112 9.670 82.882 1.00 0.00 N HETATM53670 C5 5MC B2498 -3.810 8.654 80.836 1.00 0.00 C HETATM53671 C6 5MC B2498 -3.488 8.411 79.541 1.00 0.00 C HETATM53672 CM5 5MC B2498 -5.101 8.197 81.428 1.00 0.00 C ATOM 53673 P C B2499 1.659 6.013 76.180 1.00 0.00 P ATOM 53674 O1P C B2499 1.827 5.314 77.478 1.00 0.00 O ATOM 53675 O2P C B2499 2.307 7.338 76.069 1.00 0.00 O ATOM 53676 O5* C B2499 2.181 4.977 74.767 1.00 0.00 O ATOM 53677 C5* C B2499 2.942 4.767 73.567 1.00 0.00 C ATOM 53678 C4* C B2499 4.471 5.327 73.568 1.00 0.00 C ATOM 53679 O4* C B2499 5.054 5.855 74.794 1.00 0.00 O ATOM 53680 C3* C B2499 5.622 4.559 72.918 1.00 0.00 C ATOM 53681 O3* C B2499 5.460 4.217 71.429 1.00 0.00 O ATOM 53682 C2* C B2499 6.829 5.429 73.273 1.00 0.00 C ATOM 53683 O2* C B2499 6.873 6.586 72.460 1.00 0.00 O ATOM 53684 C1* C B2499 6.467 5.893 74.680 1.00 0.00 C ATOM 53685 N1 C B2499 7.138 4.939 75.944 1.00 0.00 N ATOM 53686 C2 C B2499 8.257 4.172 75.651 1.00 0.00 C ATOM 53687 O2 C B2499 8.712 4.189 74.504 1.00 0.00 O ATOM 53688 N3 C B2499 8.812 3.423 76.641 1.00 0.00 N ATOM 53689 C4 C B2499 8.287 3.428 77.876 1.00 0.00 C ATOM 53690 N4 C B2499 8.866 2.684 78.807 1.00 0.00 N ATOM 53691 C5 C B2499 7.137 4.217 78.195 1.00 0.00 C ATOM 53692 C6 C B2499 6.600 4.952 77.195 1.00 0.00 C ATOM 53693 P U B2500 6.480 2.833 70.798 1.00 0.00 P ATOM 53694 O1P U B2500 5.608 1.800 70.201 1.00 0.00 O ATOM 53695 O2P U B2500 7.480 2.344 71.776 1.00 0.00 O ATOM 53696 O5* U B2500 7.289 3.893 69.549 1.00 0.00 O ATOM 53697 C5* U B2500 7.990 4.078 68.299 1.00 0.00 C ATOM 53698 C4* U B2500 7.133 3.589 66.998 1.00 0.00 C ATOM 53699 O4* U B2500 6.077 2.626 67.258 1.00 0.00 O ATOM 53700 C3* U B2500 6.480 4.619 66.075 1.00 0.00 C ATOM 53701 O3* U B2500 7.654 5.430 65.472 1.00 0.00 O ATOM 53702 C2* U B2500 5.561 3.748 65.228 1.00 0.00 C ATOM 53703 O2* U B2500 6.299 3.047 64.244 1.00 0.00 O ATOM 53704 C1* U B2500 5.083 2.716 66.248 1.00 0.00 C ATOM 53705 N1 U B2500 3.602 3.087 66.987 1.00 0.00 N ATOM 53706 C2 U B2500 2.666 3.742 66.220 1.00 0.00 C ATOM 53707 O2 U B2500 2.901 4.132 65.091 1.00 0.00 O ATOM 53708 N3 U B2500 1.433 3.919 66.812 1.00 0.00 N ATOM 53709 C4 U B2500 1.061 3.516 68.080 1.00 0.00 C ATOM 53710 O4 U B2500 -0.071 3.736 68.498 1.00 0.00 O ATOM 53711 C5 U B2500 2.111 2.841 68.807 1.00 0.00 C ATOM 53712 C6 U B2500 3.322 2.650 68.253 1.00 0.00 C ATOM 53713 P C B2501 7.556 6.353 63.909 1.00 0.00 P ATOM 53714 O1P C B2501 7.280 7.786 64.163 1.00 0.00 O ATOM 53715 O2P C B2501 6.699 5.706 62.886 1.00 0.00 O ATOM 53716 O5* C B2501 9.333 6.055 63.602 1.00 0.00 O ATOM 53717 C5* C B2501 10.733 5.900 63.235 1.00 0.00 C ATOM 53718 C4* C B2501 10.964 5.920 61.602 1.00 0.00 C ATOM 53719 O4* C B2501 9.705 5.624 60.932 1.00 0.00 O ATOM 53720 C3* C B2501 11.468 7.180 60.896 1.00 0.00 C ATOM 53721 O3* C B2501 12.975 7.501 61.082 1.00 0.00 O ATOM 53722 C2* C B2501 11.025 6.938 59.459 1.00 0.00 C ATOM 53723 O2* C B2501 11.877 5.994 58.816 1.00 0.00 O ATOM 53724 C1* C B2501 9.683 6.252 59.664 1.00 0.00 C ATOM 53725 N1 C B2501 8.337 7.294 59.606 1.00 0.00 N ATOM 53726 C2 C B2501 8.337 8.304 58.648 1.00 0.00 C ATOM 53727 O2 C B2501 9.298 8.387 57.870 1.00 0.00 O ATOM 53728 N3 C B2501 7.280 9.156 58.597 1.00 0.00 N ATOM 53729 C4 C B2501 6.258 9.027 59.451 1.00 0.00 C ATOM 53730 N4 C B2501 5.253 9.885 59.364 1.00 0.00 N ATOM 53731 C5 C B2501 6.238 8.000 60.446 1.00 0.00 C ATOM 53732 C6 C B2501 7.304 7.158 60.479 1.00 0.00 C ATOM 53733 P G B2502 13.944 8.245 59.705 1.00 0.00 P ATOM 53734 O1P G B2502 14.682 9.438 60.183 1.00 0.00 O ATOM 53735 O2P G B2502 13.160 8.429 58.461 1.00 0.00 O ATOM 53736 O5* G B2502 15.082 6.825 59.570 1.00 0.00 O ATOM 53737 C5* G B2502 16.497 6.774 59.314 1.00 0.00 C ATOM 53738 C4* G B2502 17.231 5.652 60.222 1.00 0.00 C ATOM 53739 O4* G B2502 16.451 4.451 60.501 1.00 0.00 O ATOM 53740 C3* G B2502 18.639 5.123 59.947 1.00 0.00 C ATOM 53741 O3* G B2502 19.818 5.814 59.299 1.00 0.00 O ATOM 53742 C2* G B2502 18.743 3.955 60.922 1.00 0.00 C ATOM 53743 O2* G B2502 18.957 4.423 62.247 1.00 0.00 O ATOM 53744 C1* G B2502 17.321 3.398 60.878 1.00 0.00 C ATOM 53745 N9 G B2502 17.096 2.086 59.776 1.00 0.00 N ATOM 53746 C8 G B2502 15.957 1.695 59.111 1.00 0.00 C ATOM 53747 N7 G B2502 16.089 0.582 58.429 1.00 0.00 N ATOM 53748 C5 G B2502 17.417 0.205 58.659 1.00 0.00 C ATOM 53749 C6 G B2502 18.146 -0.910 58.183 1.00 0.00 C ATOM 53750 O6 G B2502 17.769 -1.821 57.450 1.00 0.00 O ATOM 53751 N1 G B2502 19.466 -0.902 58.661 1.00 0.00 N ATOM 53752 C2 G B2502 20.006 0.062 59.486 1.00 0.00 C ATOM 53753 N2 G B2502 21.285 -0.111 59.830 1.00 0.00 N ATOM 53754 N3 G B2502 19.320 1.115 59.931 1.00 0.00 N ATOM 53755 C4 G B2502 18.038 1.117 59.477 1.00 0.00 C ATOM 53756 P A B2503 20.216 7.582 59.459 1.00 0.00 P ATOM 53757 O1P A B2503 20.528 7.966 60.853 1.00 0.00 O ATOM 53758 O2P A B2503 19.265 8.463 58.743 1.00 0.00 O ATOM 53759 O5* A B2503 21.717 7.318 58.461 1.00 0.00 O ATOM 53760 C5* A B2503 22.013 6.932 57.114 1.00 0.00 C ATOM 53761 C4* A B2503 23.391 5.993 56.917 1.00 0.00 C ATOM 53762 O4* A B2503 24.204 6.505 55.821 1.00 0.00 O ATOM 53763 C3* A B2503 24.203 6.341 58.165 1.00 0.00 C ATOM 53764 O3* A B2503 23.501 5.449 59.243 1.00 0.00 O ATOM 53765 C2* A B2503 25.639 6.137 57.681 1.00 0.00 C ATOM 53766 O2* A B2503 25.957 4.757 57.605 1.00 0.00 O ATOM 53767 C1* A B2503 25.548 6.650 56.244 1.00 0.00 C ATOM 53768 N9 A B2503 25.990 8.242 56.046 1.00 0.00 N ATOM 53769 C8 A B2503 25.591 9.338 56.782 1.00 0.00 C ATOM 53770 N7 A B2503 25.940 10.475 56.259 1.00 0.00 N ATOM 53771 C5 A B2503 26.610 10.123 55.099 1.00 0.00 C ATOM 53772 C6 A B2503 27.228 10.885 54.095 1.00 0.00 C ATOM 53773 N6 A B2503 27.267 12.226 54.102 1.00 0.00 N ATOM 53774 N1 A B2503 27.808 10.217 53.081 1.00 0.00 N ATOM 53775 C2 A B2503 27.763 8.889 53.076 1.00 0.00 C ATOM 53776 N3 A B2503 27.221 8.070 53.956 1.00 0.00 N ATOM 53777 C4 A B2503 26.649 8.767 54.961 1.00 0.00 C ATOM 53778 P U B2504 22.188 4.189 58.732 1.00 0.00 P ATOM 53779 O1P U B2504 21.364 3.925 59.932 1.00 0.00 O ATOM 53780 O2P U B2504 22.856 3.004 58.141 1.00 0.00 O ATOM 53781 O5* U B2504 21.102 4.997 57.423 1.00 0.00 O ATOM 53782 C5* U B2504 19.948 5.788 56.804 1.00 0.00 C ATOM 53783 C4* U B2504 19.994 6.714 55.363 1.00 0.00 C ATOM 53784 O4* U B2504 21.351 7.102 55.002 1.00 0.00 O ATOM 53785 C3* U B2504 19.495 5.944 54.137 1.00 0.00 C ATOM 53786 O3* U B2504 17.888 6.303 54.189 1.00 0.00 O ATOM 53787 C2* U B2504 20.151 6.709 52.990 1.00 0.00 C ATOM 53788 O2* U B2504 19.470 7.935 52.750 1.00 0.00 O ATOM 53789 C1* U B2504 21.502 7.065 53.590 1.00 0.00 C ATOM 53790 N1 U B2504 22.724 6.005 53.223 1.00 0.00 N ATOM 53791 C2 U B2504 23.297 6.126 51.981 1.00 0.00 C ATOM 53792 O2 U B2504 22.853 6.856 51.118 1.00 0.00 O ATOM 53793 N3 U B2504 24.418 5.344 51.765 1.00 0.00 N ATOM 53794 C4 U B2504 24.997 4.481 52.674 1.00 0.00 C ATOM 53795 O4 U B2504 26.005 3.833 52.369 1.00 0.00 O ATOM 53796 C5 U B2504 24.324 4.424 53.951 1.00 0.00 C ATOM 53797 C6 U B2504 23.236 5.170 54.183 1.00 0.00 C ATOM 53798 P G B2505 17.309 8.060 54.593 1.00 0.00 P ATOM 53799 O1P G B2505 17.502 8.955 53.431 1.00 0.00 O ATOM 53800 O2P G B2505 17.917 8.515 55.863 1.00 0.00 O ATOM 53801 O5* G B2505 15.459 7.946 54.633 1.00 0.00 O ATOM 53802 C5* G B2505 14.757 8.797 53.642 1.00 0.00 C ATOM 53803 C4* G B2505 14.797 10.489 53.691 1.00 0.00 C ATOM 53804 O4* G B2505 15.223 11.232 54.871 1.00 0.00 O ATOM 53805 C3* G B2505 13.655 11.333 53.122 1.00 0.00 C ATOM 53806 O3* G B2505 13.656 12.153 51.650 1.00 0.00 O ATOM 53807 C2* G B2505 12.982 11.864 54.388 1.00 0.00 C ATOM 53808 O2* G B2505 12.201 10.854 55.001 1.00 0.00 O ATOM 53809 C1* G B2505 14.186 12.104 55.296 1.00 0.00 C ATOM 53810 N9 G B2505 14.816 13.784 55.275 1.00 0.00 N ATOM 53811 C8 G B2505 14.160 14.954 54.964 1.00 0.00 C ATOM 53812 N7 G B2505 14.870 16.033 55.163 1.00 0.00 N ATOM 53813 C5 G B2505 16.086 15.551 55.645 1.00 0.00 C ATOM 53814 C6 G B2505 17.256 16.244 56.042 1.00 0.00 C ATOM 53815 O6 G B2505 17.466 17.458 56.045 1.00 0.00 O ATOM 53816 N1 G B2505 18.253 15.360 56.470 1.00 0.00 N ATOM 53817 C2 G B2505 18.141 13.989 56.506 1.00 0.00 C ATOM 53818 N2 G B2505 19.213 13.321 56.946 1.00 0.00 N ATOM 53819 N3 G B2505 17.042 13.335 56.137 1.00 0.00 N ATOM 53820 C4 G B2505 16.063 14.179 55.719 1.00 0.00 C ATOM 53821 P U B2506 15.166 13.481 51.610 1.00 0.00 P ATOM 53822 O1P U B2506 15.974 12.318 52.034 1.00 0.00 O ATOM 53823 O2P U B2506 14.777 14.422 52.681 1.00 0.00 O ATOM 53824 O5* U B2506 15.928 14.272 50.444 1.00 0.00 O ATOM 53825 C5* U B2506 15.328 15.464 49.904 1.00 0.00 C ATOM 53826 C4* U B2506 16.272 16.114 48.911 1.00 0.00 C ATOM 53827 O4* U B2506 17.433 16.623 49.629 1.00 0.00 O ATOM 53828 C3* U B2506 16.871 15.184 47.855 1.00 0.00 C ATOM 53829 O3* U B2506 16.012 15.018 46.773 1.00 0.00 O ATOM 53830 C2* U B2506 18.159 15.915 47.482 1.00 0.00 C ATOM 53831 O2* U B2506 17.883 17.021 46.637 1.00 0.00 O ATOM 53832 C1* U B2506 18.594 16.482 48.830 1.00 0.00 C ATOM 53833 N1 U B2506 19.556 15.610 49.563 1.00 0.00 N ATOM 53834 C2 U B2506 20.846 15.575 49.096 1.00 0.00 C ATOM 53835 O2 U B2506 21.222 16.216 48.128 1.00 0.00 O ATOM 53836 N3 U B2506 21.710 14.756 49.802 1.00 0.00 N ATOM 53837 C4 U B2506 21.392 13.991 50.906 1.00 0.00 C ATOM 53838 O4 U B2506 22.250 13.298 51.456 1.00 0.00 O ATOM 53839 C5 U B2506 20.011 14.094 51.318 1.00 0.00 C ATOM 53840 C6 U B2506 19.153 14.884 50.652 1.00 0.00 C ATOM 53841 P C B2507 15.986 13.580 46.000 1.00 0.00 P ATOM 53842 O1P C B2507 14.786 13.478 45.148 1.00 0.00 O ATOM 53843 O2P C B2507 16.171 12.491 46.986 1.00 0.00 O ATOM 53844 O5* C B2507 17.293 13.706 45.086 1.00 0.00 O ATOM 53845 C5* C B2507 17.364 14.765 44.114 1.00 0.00 C ATOM 53846 C4* C B2507 18.728 14.772 43.454 1.00 0.00 C ATOM 53847 O4* C B2507 19.726 15.163 44.440 1.00 0.00 O ATOM 53848 C3* C B2507 19.227 13.421 42.939 1.00 0.00 C ATOM 53849 O3* C B2507 18.729 13.141 41.671 1.00 0.00 O ATOM 53850 C2* C B2507 20.743 13.616 42.948 1.00 0.00 C ATOM 53851 O2* C B2507 21.155 14.409 41.850 1.00 0.00 O ATOM 53852 C1* C B2507 20.935 14.460 44.205 1.00 0.00 C ATOM 53853 N1 C B2507 21.246 13.658 45.423 1.00 0.00 N ATOM 53854 C2 C B2507 22.522 13.115 45.535 1.00 0.00 C ATOM 53855 O2 C B2507 23.337 13.314 44.626 1.00 0.00 O ATOM 53856 N3 C B2507 22.823 12.381 46.636 1.00 0.00 N ATOM 53857 C4 C B2507 21.912 12.186 47.596 1.00 0.00 C ATOM 53858 N4 C B2507 22.258 11.464 48.653 1.00 0.00 N ATOM 53859 C5 C B2507 20.597 12.740 47.502 1.00 0.00 C ATOM 53860 C6 C B2507 20.312 13.466 46.392 1.00 0.00 C ATOM 53861 P G B2508 18.406 11.588 41.279 1.00 0.00 P ATOM 53862 O1P G B2508 17.561 11.532 40.065 1.00 0.00 O ATOM 53863 O2P G B2508 17.877 10.880 42.466 1.00 0.00 O ATOM 53864 O5* G B2508 19.874 11.052 40.941 1.00 0.00 O ATOM 53865 C5* G B2508 20.613 11.670 39.871 1.00 0.00 C ATOM 53866 C4* G B2508 22.015 11.092 39.809 1.00 0.00 C ATOM 53867 O4* G B2508 22.747 11.508 40.996 1.00 0.00 O ATOM 53868 C3* G B2508 22.108 9.566 39.830 1.00 0.00 C ATOM 53869 O3* G B2508 21.943 9.023 38.558 1.00 0.00 O ATOM 53870 C2* G B2508 23.511 9.342 40.389 1.00 0.00 C ATOM 53871 O2* G B2508 24.492 9.587 39.395 1.00 0.00 O ATOM 53872 C1* G B2508 23.624 10.469 41.408 1.00 0.00 C ATOM 53873 N9 G B2508 23.243 10.068 42.790 1.00 0.00 N ATOM 53874 C8 G B2508 22.101 10.370 43.500 1.00 0.00 C ATOM 53875 N7 G B2508 22.071 9.855 44.708 1.00 0.00 N ATOM 53876 C5 G B2508 23.280 9.162 44.801 1.00 0.00 C ATOM 53877 C6 G B2508 23.815 8.403 45.870 1.00 0.00 C ATOM 53878 O6 G B2508 23.328 8.179 46.977 1.00 0.00 O ATOM 53879 N1 G B2508 25.069 7.868 45.542 1.00 0.00 N ATOM 53880 C2 G B2508 25.723 8.046 44.339 1.00 0.00 C ATOM 53881 N2 G B2508 26.912 7.456 44.220 1.00 0.00 N ATOM 53882 N3 G B2508 25.217 8.760 43.333 1.00 0.00 N ATOM 53883 C4 G B2508 24.000 9.286 43.637 1.00 0.00 C ATOM 53884 P G B2509 21.201 7.575 38.414 1.00 0.00 P ATOM 53885 O1P G B2509 20.793 7.346 37.012 1.00 0.00 O ATOM 53886 O2P G B2509 20.121 7.470 39.425 1.00 0.00 O ATOM 53887 O5* G B2509 22.400 6.585 38.800 1.00 0.00 O ATOM 53888 C5* G B2509 23.594 6.591 37.997 1.00 0.00 C ATOM 53889 C4* G B2509 24.636 5.678 38.607 1.00 0.00 C ATOM 53890 O4* G B2509 25.083 6.253 39.871 1.00 0.00 O ATOM 53891 C3* G B2509 24.149 4.278 38.993 1.00 0.00 C ATOM 53892 O3* G B2509 24.180 3.410 37.906 1.00 0.00 O ATOM 53893 C2* G B2509 25.141 3.887 40.088 1.00 0.00 C ATOM 53894 O2* G B2509 26.389 3.517 39.526 1.00 0.00 O ATOM 53895 C1* G B2509 25.352 5.216 40.802 1.00 0.00 C ATOM 53896 N9 G B2509 24.459 5.414 41.978 1.00 0.00 N ATOM 53897 C8 G B2509 23.355 6.227 42.107 1.00 0.00 C ATOM 53898 N7 G B2509 22.784 6.167 43.286 1.00 0.00 N ATOM 53899 C5 G B2509 23.565 5.252 43.987 1.00 0.00 C ATOM 53900 C6 G B2509 23.442 4.777 45.319 1.00 0.00 C ATOM 53901 O6 G B2509 22.605 5.071 46.167 1.00 0.00 O ATOM 53902 N1 G B2509 24.449 3.849 45.626 1.00 0.00 N ATOM 53903 C2 G B2509 25.444 3.438 44.761 1.00 0.00 C ATOM 53904 N2 G B2509 26.312 2.547 45.248 1.00 0.00 N ATOM 53905 N3 G B2509 25.558 3.885 43.513 1.00 0.00 N ATOM 53906 C4 G B2509 24.591 4.784 43.198 1.00 0.00 C ATOM 53907 P C B2510 23.036 2.247 37.798 1.00 0.00 P ATOM 53908 O1P C B2510 23.007 1.685 36.430 1.00 0.00 O ATOM 53909 O2P C B2510 21.749 2.777 38.302 1.00 0.00 O ATOM 53910 O5* C B2510 23.615 1.162 38.820 1.00 0.00 O ATOM 53911 C5* C B2510 24.909 0.583 38.564 1.00 0.00 C ATOM 53912 C4* C B2510 25.310 -0.317 39.715 1.00 0.00 C ATOM 53913 O4* C B2510 25.544 0.503 40.895 1.00 0.00 O ATOM 53914 C3* C B2510 24.254 -1.328 40.171 1.00 0.00 C ATOM 53915 O3* C B2510 24.281 -2.483 39.391 1.00 0.00 O ATOM 53916 C2* C B2510 24.660 -1.583 41.618 1.00 0.00 C ATOM 53917 O2* C B2510 25.791 -2.436 41.681 1.00 0.00 O ATOM 53918 C1* C B2510 25.123 -0.198 42.057 1.00 0.00 C ATOM 53919 N1 C B2510 24.062 0.608 42.720 1.00 0.00 N ATOM 53920 C2 C B2510 23.702 0.265 44.021 1.00 0.00 C ATOM 53921 O2 C B2510 24.277 -0.686 44.566 1.00 0.00 O ATOM 53922 N3 C B2510 22.737 0.984 44.645 1.00 0.00 N ATOM 53923 C4 C B2510 22.139 2.009 44.019 1.00 0.00 C ATOM 53924 N4 C B2510 21.203 2.682 44.669 1.00 0.00 N ATOM 53925 C5 C B2510 22.492 2.379 42.683 1.00 0.00 C ATOM 53926 C6 C B2510 23.461 1.644 42.077 1.00 0.00 C ATOM 53927 P U B2511 22.879 -3.266 39.098 1.00 0.00 P ATOM 53928 O1P U B2511 23.050 -4.222 37.983 1.00 0.00 O ATOM 53929 O2P U B2511 21.789 -2.276 38.938 1.00 0.00 O ATOM 53930 O5* U B2511 22.686 -4.065 40.471 1.00 0.00 O ATOM 53931 C5* U B2511 23.690 -5.016 40.871 1.00 0.00 C ATOM 53932 C4* U B2511 23.371 -5.556 42.250 1.00 0.00 C ATOM 53933 O4* U B2511 23.530 -4.486 43.226 1.00 0.00 O ATOM 53934 C3* U B2511 21.934 -6.037 42.461 1.00 0.00 C ATOM 53935 O3* U B2511 21.765 -7.348 42.024 1.00 0.00 O ATOM 53936 C2* U B2511 21.771 -5.897 43.974 1.00 0.00 C ATOM 53937 O2* U B2511 22.434 -6.947 44.653 1.00 0.00 O ATOM 53938 C1* U B2511 22.561 -4.621 44.251 1.00 0.00 C ATOM 53939 N1 U B2511 21.724 -3.390 44.260 1.00 0.00 N ATOM 53940 C2 U B2511 20.913 -3.190 45.351 1.00 0.00 C ATOM 53941 O2 U B2511 20.859 -3.970 46.287 1.00 0.00 O ATOM 53942 N3 U B2511 20.153 -2.039 45.325 1.00 0.00 N ATOM 53943 C4 U B2511 20.135 -1.091 44.320 1.00 0.00 C ATOM 53944 O4 U B2511 19.411 -0.097 44.406 1.00 0.00 O ATOM 53945 C5 U B2511 21.019 -1.387 43.216 1.00 0.00 C ATOM 53946 C6 U B2511 21.769 -2.501 43.217 1.00 0.00 C ATOM 53947 P C B2512 20.325 -7.781 41.381 1.00 0.00 P ATOM 53948 O1P C B2512 20.454 -9.063 40.655 1.00 0.00 O ATOM 53949 O2P C B2512 19.775 -6.650 40.603 1.00 0.00 O ATOM 53950 O5* C B2512 19.458 -7.997 42.710 1.00 0.00 O ATOM 53951 C5* C B2512 19.874 -8.993 43.660 1.00 0.00 C ATOM 53952 C4* C B2512 18.987 -8.941 44.888 1.00 0.00 C ATOM 53953 O4* C B2512 19.232 -7.690 45.594 1.00 0.00 O ATOM 53954 C3* C B2512 17.480 -8.922 44.621 1.00 0.00 C ATOM 53955 O3* C B2512 16.979 -10.210 44.443 1.00 0.00 O ATOM 53956 C2* C B2512 16.940 -8.248 45.883 1.00 0.00 C ATOM 53957 O2* C B2512 16.940 -9.152 46.973 1.00 0.00 O ATOM 53958 C1* C B2512 18.026 -7.214 46.164 1.00 0.00 C ATOM 53959 N1 C B2512 17.738 -5.872 45.582 1.00 0.00 N ATOM 53960 C2 C B2512 16.763 -5.090 46.198 1.00 0.00 C ATOM 53961 O2 C B2512 16.184 -5.540 47.194 1.00 0.00 O ATOM 53962 N3 C B2512 16.487 -3.866 45.683 1.00 0.00 N ATOM 53963 C4 C B2512 17.137 -3.417 44.603 1.00 0.00 C ATOM 53964 N4 C B2512 16.831 -2.217 44.139 1.00 0.00 N ATOM 53965 C5 C B2512 18.144 -4.204 43.953 1.00 0.00 C ATOM 53966 C6 C B2512 18.406 -5.426 44.484 1.00 0.00 C ATOM 53967 P A B2513 16.125 -11.339 43.167 1.00 0.00 P ATOM 53968 O1P A B2513 16.343 -11.893 41.810 1.00 0.00 O ATOM 53969 O2P A B2513 14.950 -10.453 43.318 1.00 0.00 O ATOM 53970 O5* A B2513 16.046 -12.533 44.231 1.00 0.00 O ATOM 53971 C5* A B2513 17.136 -13.468 44.313 1.00 0.00 C ATOM 53972 C4* A B2513 16.908 -14.426 45.466 1.00 0.00 C ATOM 53973 O4* A B2513 17.007 -13.694 46.717 1.00 0.00 O ATOM 53974 C3* A B2513 15.528 -15.079 45.526 1.00 0.00 C ATOM 53975 O3* A B2513 15.454 -16.204 44.708 1.00 0.00 O ATOM 53976 C2* A B2513 15.396 -15.417 47.007 1.00 0.00 C ATOM 53977 O2* A B2513 16.170 -16.562 47.334 1.00 0.00 O ATOM 53978 C1* A B2513 16.085 -14.222 47.660 1.00 0.00 C ATOM 53979 N9 A B2513 15.148 -13.131 48.046 1.00 0.00 N ATOM 53980 C8 A B2513 14.946 -11.906 47.449 1.00 0.00 C ATOM 53981 N7 A B2513 14.049 -11.173 48.036 1.00 0.00 N ATOM 53982 C5 A B2513 13.616 -11.960 49.096 1.00 0.00 C ATOM 53983 C6 A B2513 12.660 -11.747 50.104 1.00 0.00 C ATOM 53984 N6 A B2513 11.937 -10.624 50.212 1.00 0.00 N ATOM 53985 N1 A B2513 12.479 -12.734 51.000 1.00 0.00 N ATOM 53986 C2 A B2513 13.201 -13.849 50.890 1.00 0.00 C ATOM 53987 N3 A B2513 14.116 -14.156 49.993 1.00 0.00 N ATOM 53988 C4 A B2513 14.280 -13.153 49.108 1.00 0.00 C ATOM 53989 P U B2514 14.040 -16.549 43.970 1.00 0.00 P ATOM 53990 O1P U B2514 14.255 -17.532 42.883 1.00 0.00 O ATOM 53991 O2P U B2514 13.372 -15.288 43.573 1.00 0.00 O ATOM 53992 O5* U B2514 13.234 -17.234 45.169 1.00 0.00 O ATOM 53993 C5* U B2514 13.760 -18.431 45.771 1.00 0.00 C ATOM 53994 C4* U B2514 12.911 -18.836 46.958 1.00 0.00 C ATOM 53995 O4* U B2514 13.072 -17.841 48.012 1.00 0.00 O ATOM 53996 C3* U B2514 11.403 -18.873 46.717 1.00 0.00 C ATOM 53997 O3* U B2514 11.004 -20.085 46.154 1.00 0.00 O ATOM 53998 C2* U B2514 10.848 -18.666 48.122 1.00 0.00 C ATOM 53999 O2* U B2514 10.955 -19.856 48.885 1.00 0.00 O ATOM 54000 C1* U B2514 11.846 -17.671 48.704 1.00 0.00 C ATOM 54001 N1 U B2514 11.429 -16.249 48.561 1.00 0.00 N ATOM 54002 C2 U B2514 10.424 -15.804 49.388 1.00 0.00 C ATOM 54003 O2 U B2514 9.878 -16.521 50.209 1.00 0.00 O ATOM 54004 N3 U B2514 10.063 -14.481 49.225 1.00 0.00 N ATOM 54005 C4 U B2514 10.611 -13.589 48.328 1.00 0.00 C ATOM 54006 O4 U B2514 10.204 -12.426 48.274 1.00 0.00 O ATOM 54007 C5 U B2514 11.659 -14.147 47.506 1.00 0.00 C ATOM 54008 C6 U B2514 12.028 -15.430 47.641 1.00 0.00 C ATOM 54009 P C B2515 9.759 -20.089 45.099 1.00 0.00 P ATOM 54010 O1P C B2515 9.729 -21.365 44.347 1.00 0.00 O ATOM 54011 O2P C B2515 9.806 -18.859 44.277 1.00 0.00 O ATOM 54012 O5* C B2515 8.515 -20.021 46.101 1.00 0.00 O ATOM 54013 C5* C B2515 8.331 -21.081 47.059 1.00 0.00 C ATOM 54014 C4* C B2515 7.177 -20.755 47.981 1.00 0.00 C ATOM 54015 O4* C B2515 7.546 -19.615 48.815 1.00 0.00 O ATOM 54016 C3* C B2515 5.883 -20.303 47.297 1.00 0.00 C ATOM 54017 O3* C B2515 5.114 -21.390 46.889 1.00 0.00 O ATOM 54018 C2* C B2515 5.209 -19.481 48.394 1.00 0.00 C ATOM 54019 O2* C B2515 4.633 -20.328 49.374 1.00 0.00 O ATOM 54020 C1* C B2515 6.409 -18.801 49.047 1.00 0.00 C ATOM 54021 N1 C B2515 6.698 -17.445 48.505 1.00 0.00 N ATOM 54022 C2 C B2515 5.848 -16.404 48.870 1.00 0.00 C ATOM 54023 O2 C B2515 4.899 -16.648 49.623 1.00 0.00 O ATOM 54024 N3 C B2515 6.092 -15.160 48.388 1.00 0.00 N ATOM 54025 C4 C B2515 7.134 -14.937 47.574 1.00 0.00 C ATOM 54026 N4 C B2515 7.330 -13.706 47.129 1.00 0.00 N ATOM 54027 C5 C B2515 8.021 -15.993 47.186 1.00 0.00 C ATOM 54028 C6 C B2515 7.757 -17.229 47.679 1.00 0.00 C ATOM 54029 P A B2516 4.230 -21.259 45.521 1.00 0.00 P ATOM 54030 O1P A B2516 3.789 -22.593 45.067 1.00 0.00 O ATOM 54031 O2P A B2516 4.975 -20.449 44.531 1.00 0.00 O ATOM 54032 O5* A B2516 2.970 -20.428 46.060 1.00 0.00 O ATOM 54033 C5* A B2516 2.156 -20.992 47.100 1.00 0.00 C ATOM 54034 C4* A B2516 1.105 -19.990 47.537 1.00 0.00 C ATOM 54035 O4* A B2516 1.763 -18.878 48.205 1.00 0.00 O ATOM 54036 C3* A B2516 0.308 -19.328 46.413 1.00 0.00 C ATOM 54037 O3* A B2516 -0.766 -20.121 46.011 1.00 0.00 O ATOM 54038 C2* A B2516 -0.135 -18.022 47.065 1.00 0.00 C ATOM 54039 O2* A B2516 -1.211 -18.247 47.964 1.00 0.00 O ATOM 54040 C1* A B2516 1.083 -17.667 47.912 1.00 0.00 C ATOM 54041 N9 A B2516 2.041 -16.753 47.228 1.00 0.00 N ATOM 54042 C8 A B2516 3.271 -17.037 46.681 1.00 0.00 C ATOM 54043 N7 A B2516 3.864 -16.010 46.154 1.00 0.00 N ATOM 54044 C5 A B2516 2.972 -14.967 46.360 1.00 0.00 C ATOM 54045 C6 A B2516 3.016 -13.603 46.028 1.00 0.00 C ATOM 54046 N6 A B2516 4.046 -13.031 45.388 1.00 0.00 N ATOM 54047 N1 A B2516 1.960 -12.845 46.379 1.00 0.00 N ATOM 54048 C2 A B2516 0.939 -13.419 47.016 1.00 0.00 C ATOM 54049 N3 A B2516 0.788 -14.674 47.376 1.00 0.00 N ATOM 54050 C4 A B2516 1.859 -15.412 47.012 1.00 0.00 C ATOM 54051 P C B2517 -1.212 -20.099 44.440 1.00 0.00 P ATOM 54052 O1P C B2517 -2.095 -21.245 44.143 1.00 0.00 O ATOM 54053 O2P C B2517 -0.009 -19.974 43.588 1.00 0.00 O ATOM 54054 O5* C B2517 -2.054 -18.739 44.388 1.00 0.00 O ATOM 54055 C5* C B2517 -3.224 -18.609 45.217 1.00 0.00 C ATOM 54056 C4* C B2517 -3.790 -17.209 45.103 1.00 0.00 C ATOM 54057 O4* C B2517 -2.853 -16.273 45.707 1.00 0.00 O ATOM 54058 C3* C B2517 -3.975 -16.679 43.681 1.00 0.00 C ATOM 54059 O3* C B2517 -5.182 -17.099 43.129 1.00 0.00 O ATOM 54060 C2* C B2517 -3.917 -15.168 43.893 1.00 0.00 C ATOM 54061 O2* C B2517 -5.135 -14.690 44.441 1.00 0.00 O ATOM 54062 C1* C B2517 -2.860 -15.052 44.987 1.00 0.00 C ATOM 54063 N1 C B2517 -1.484 -14.815 44.466 1.00 0.00 N ATOM 54064 C2 C B2517 -1.184 -13.547 43.974 1.00 0.00 C ATOM 54065 O2 C B2517 -2.063 -12.678 43.989 1.00 0.00 O ATOM 54066 N3 C B2517 0.064 -13.311 43.495 1.00 0.00 N ATOM 54067 C4 C B2517 0.990 -14.280 43.495 1.00 0.00 C ATOM 54068 N4 C B2517 2.192 -13.998 43.017 1.00 0.00 N ATOM 54069 C5 C B2517 0.702 -15.591 43.997 1.00 0.00 C ATOM 54070 C6 C B2517 -0.552 -15.805 44.470 1.00 0.00 C ATOM 54071 P A B2518 -5.593 -17.891 41.294 1.00 0.00 P ATOM 54072 O1P A B2518 -5.055 -18.700 42.410 1.00 0.00 O ATOM 54073 O2P A B2518 -4.644 -17.589 40.200 1.00 0.00 O ATOM 54074 O5* A B2518 -6.902 -18.595 40.698 1.00 0.00 O ATOM 54075 C5* A B2518 -7.998 -18.895 41.580 1.00 0.00 C ATOM 54076 C4* A B2518 -9.170 -19.438 40.785 1.00 0.00 C ATOM 54077 O4* A B2518 -9.705 -18.372 39.949 1.00 0.00 O ATOM 54078 C3* A B2518 -8.841 -20.556 39.797 1.00 0.00 C ATOM 54079 O3* A B2518 -8.822 -21.801 40.420 1.00 0.00 O ATOM 54080 C2* A B2518 -9.973 -20.424 38.781 1.00 0.00 C ATOM 54081 O2* A B2518 -11.177 -20.963 39.297 1.00 0.00 O ATOM 54082 C1* A B2518 -10.157 -18.911 38.716 1.00 0.00 C ATOM 54083 N9 A B2518 -9.382 -18.262 37.621 1.00 0.00 N ATOM 54084 C8 A B2518 -8.237 -17.501 37.700 1.00 0.00 C ATOM 54085 N7 A B2518 -7.806 -17.077 36.549 1.00 0.00 N ATOM 54086 C5 A B2518 -8.723 -17.584 35.642 1.00 0.00 C ATOM 54087 C6 A B2518 -8.820 -17.489 34.243 1.00 0.00 C ATOM 54088 N6 A B2518 -7.947 -16.813 33.484 1.00 0.00 N ATOM 54089 N1 A B2518 -9.855 -18.116 33.650 1.00 0.00 N ATOM 54090 C2 A B2518 -10.721 -18.788 34.410 1.00 0.00 C ATOM 54091 N3 A B2518 -10.730 -18.946 35.715 1.00 0.00 N ATOM 54092 C4 A B2518 -9.684 -18.310 36.284 1.00 0.00 C ATOM 54093 P U B2519 -7.770 -22.930 39.884 1.00 0.00 P ATOM 54094 O1P U B2519 -7.636 -24.020 40.881 1.00 0.00 O ATOM 54095 O2P U B2519 -6.507 -22.274 39.479 1.00 0.00 O ATOM 54096 O5* U B2519 -8.540 -23.469 38.590 1.00 0.00 O ATOM 54097 C5* U B2519 -9.841 -24.067 38.752 1.00 0.00 C ATOM 54098 C4* U B2519 -10.435 -24.391 37.397 1.00 0.00 C ATOM 54099 O4* U B2519 -10.729 -23.142 36.702 1.00 0.00 O ATOM 54100 C3* U B2519 -9.518 -25.140 36.427 1.00 0.00 C ATOM 54101 O3* U B2519 -9.553 -26.514 36.654 1.00 0.00 O ATOM 54102 C2* U B2519 -10.100 -24.751 35.069 1.00 0.00 C ATOM 54103 O2* U B2519 -11.292 -25.468 34.810 1.00 0.00 O ATOM 54104 C1* U B2519 -10.497 -23.299 35.311 1.00 0.00 C ATOM 54105 N1 U B2519 -9.451 -22.319 34.907 1.00 0.00 N ATOM 54106 C2 U B2519 -9.281 -22.107 33.560 1.00 0.00 C ATOM 54107 O2 U B2519 -9.938 -22.680 32.709 1.00 0.00 O ATOM 54108 N3 U B2519 -8.303 -21.192 33.224 1.00 0.00 N ATOM 54109 C4 U B2519 -7.502 -20.486 34.100 1.00 0.00 C ATOM 54110 O4 U B2519 -6.661 -19.691 33.679 1.00 0.00 O ATOM 54111 C5 U B2519 -7.754 -20.775 35.493 1.00 0.00 C ATOM 54112 C6 U B2519 -8.700 -21.664 35.846 1.00 0.00 C ATOM 54113 P C B2520 -8.195 -27.385 36.409 1.00 0.00 P ATOM 54114 O1P C B2520 -8.320 -28.719 37.038 1.00 0.00 O ATOM 54115 O2P C B2520 -7.016 -26.587 36.819 1.00 0.00 O ATOM 54116 O5* C B2520 -8.219 -27.535 34.817 1.00 0.00 O ATOM 54117 C5* C B2520 -9.329 -28.205 34.193 1.00 0.00 C ATOM 54118 C4* C B2520 -9.207 -28.123 32.685 1.00 0.00 C ATOM 54119 O4* C B2520 -9.386 -26.740 32.273 1.00 0.00 O ATOM 54120 C3* C B2520 -7.844 -28.509 32.106 1.00 0.00 C ATOM 54121 O3* C B2520 -7.735 -29.887 31.935 1.00 0.00 O ATOM 54122 C2* C B2520 -7.836 -27.748 30.780 1.00 0.00 C ATOM 54123 O2* C B2520 -8.652 -28.398 29.823 1.00 0.00 O ATOM 54124 C1* C B2520 -8.546 -26.454 31.165 1.00 0.00 C ATOM 54125 N1 C B2520 -7.620 -25.357 31.557 1.00 0.00 N ATOM 54126 C2 C B2520 -6.902 -24.720 30.549 1.00 0.00 C ATOM 54127 O2 C B2520 -7.063 -25.089 29.379 1.00 0.00 O ATOM 54128 N3 C B2520 -6.051 -23.715 30.884 1.00 0.00 N ATOM 54129 C4 C B2520 -5.905 -23.345 32.164 1.00 0.00 C ATOM 54130 N4 C B2520 -5.064 -22.360 32.440 1.00 0.00 N ATOM 54131 C5 C B2520 -6.634 -23.986 33.216 1.00 0.00 C ATOM 54132 C6 C B2520 -7.479 -24.986 32.859 1.00 0.00 C ATOM 54133 P C B2521 -6.274 -30.587 32.144 1.00 0.00 P ATOM 54134 O1P C B2521 -6.424 -32.052 32.286 1.00 0.00 O ATOM 54135 O2P C B2521 -5.553 -29.904 33.244 1.00 0.00 O ATOM 54136 O5* C B2521 -5.575 -30.246 30.747 1.00 0.00 O ATOM 54137 C5* C B2521 -6.170 -30.739 29.530 1.00 0.00 C ATOM 54138 C4* C B2521 -5.419 -30.198 28.330 1.00 0.00 C ATOM 54139 O4* C B2521 -5.640 -28.762 28.246 1.00 0.00 O ATOM 54140 C3* C B2521 -3.897 -30.334 28.378 1.00 0.00 C ATOM 54141 O3* C B2521 -3.482 -31.589 27.939 1.00 0.00 O ATOM 54142 C2* C B2521 -3.445 -29.206 27.452 1.00 0.00 C ATOM 54143 O2* C B2521 -3.634 -29.568 26.093 1.00 0.00 O ATOM 54144 C1* C B2521 -4.466 -28.121 27.770 1.00 0.00 C ATOM 54145 N1 C B2521 -4.013 -27.158 28.811 1.00 0.00 N ATOM 54146 C2 C B2521 -3.052 -26.215 28.452 1.00 0.00 C ATOM 54147 O2 C B2521 -2.622 -26.218 27.292 1.00 0.00 O ATOM 54148 N3 C B2521 -2.623 -25.331 29.385 1.00 0.00 N ATOM 54149 C4 C B2521 -3.116 -25.360 30.630 1.00 0.00 C ATOM 54150 N4 C B2521 -2.666 -24.474 31.504 1.00 0.00 N ATOM 54151 C5 C B2521 -4.106 -26.320 31.021 1.00 0.00 C ATOM 54152 C6 C B2521 -4.519 -27.197 30.072 1.00 0.00 C ATOM 54153 P U B2522 -1.843 -32.827 28.102 1.00 0.00 P ATOM 54154 O1P U B2522 -2.903 -32.954 27.075 1.00 0.00 O ATOM 54155 O2P U B2522 -1.567 -34.042 28.897 1.00 0.00 O ATOM 54156 O5* U B2522 -0.490 -32.305 27.419 1.00 0.00 O ATOM 54157 C5* U B2522 -0.454 -32.119 25.993 1.00 0.00 C ATOM 54158 C4* U B2522 0.408 -30.921 25.649 1.00 0.00 C ATOM 54159 O4* U B2522 -0.251 -29.711 26.126 1.00 0.00 O ATOM 54160 C3* U B2522 1.782 -30.878 26.317 1.00 0.00 C ATOM 54161 O3* U B2522 2.721 -31.626 25.607 1.00 0.00 O ATOM 54162 C2* U B2522 2.096 -29.384 26.310 1.00 0.00 C ATOM 54163 O2* U B2522 2.488 -28.957 25.016 1.00 0.00 O ATOM 54164 C1* U B2522 0.720 -28.779 26.576 1.00 0.00 C ATOM 54165 N1 U B2522 0.458 -28.501 28.017 1.00 0.00 N ATOM 54166 C2 U B2522 1.098 -27.421 28.570 1.00 0.00 C ATOM 54167 O2 U B2522 1.855 -26.703 27.940 1.00 0.00 O ATOM 54168 N3 U B2522 0.831 -27.194 29.904 1.00 0.00 N ATOM 54169 C4 U B2522 -0.006 -27.939 30.711 1.00 0.00 C ATOM 54170 O4 U B2522 -0.168 -27.637 31.897 1.00 0.00 O ATOM 54171 C5 U B2522 -0.633 -29.051 30.041 1.00 0.00 C ATOM 54172 C6 U B2522 -0.388 -29.296 28.741 1.00 0.00 C ATOM 54173 P G B2523 3.897 -32.399 26.435 1.00 0.00 P ATOM 54174 O1P G B2523 4.548 -33.410 25.573 1.00 0.00 O ATOM 54175 O2P G B2523 3.351 -32.900 27.714 1.00 0.00 O ATOM 54176 O5* G B2523 4.911 -31.194 26.714 1.00 0.00 O ATOM 54177 C5* G B2523 5.492 -30.498 25.597 1.00 0.00 C ATOM 54178 C4* G B2523 6.316 -29.322 26.089 1.00 0.00 C ATOM 54179 O4* G B2523 5.419 -28.326 26.663 1.00 0.00 O ATOM 54180 C3* G B2523 7.302 -29.625 27.217 1.00 0.00 C ATOM 54181 O3* G B2523 8.503 -30.127 26.723 1.00 0.00 O ATOM 54182 C2* G B2523 7.460 -28.259 27.878 1.00 0.00 C ATOM 54183 O2* G B2523 8.295 -27.418 27.099 1.00 0.00 O ATOM 54184 C1* G B2523 6.046 -27.697 27.768 1.00 0.00 C ATOM 54185 N9 G B2523 5.209 -27.948 28.977 1.00 0.00 N ATOM 54186 C8 G B2523 4.176 -28.844 29.148 1.00 0.00 C ATOM 54187 N7 G B2523 3.639 -28.813 30.345 1.00 0.00 N ATOM 54188 C5 G B2523 4.369 -27.830 31.013 1.00 0.00 C ATOM 54189 C6 G B2523 4.250 -27.348 32.340 1.00 0.00 C ATOM 54190 O6 G B2523 3.465 -27.694 33.220 1.00 0.00 O ATOM 54191 N1 G B2523 5.192 -26.343 32.606 1.00 0.00 N ATOM 54192 C2 G B2523 6.125 -25.868 31.706 1.00 0.00 C ATOM 54193 N2 G B2523 6.935 -24.906 32.155 1.00 0.00 N ATOM 54194 N3 G B2523 6.235 -26.321 30.460 1.00 0.00 N ATOM 54195 C4 G B2523 5.329 -27.295 30.184 1.00 0.00 C ATOM 54196 P G B2524 9.316 -31.231 27.609 1.00 0.00 P ATOM 54197 O1P G B2524 10.343 -31.899 26.778 1.00 0.00 O ATOM 54198 O2P G B2524 8.351 -32.127 28.286 1.00 0.00 O ATOM 54199 O5* G B2524 10.027 -30.286 28.687 1.00 0.00 O ATOM 54200 C5* G B2524 10.943 -29.273 28.233 1.00 0.00 C ATOM 54201 C4* G B2524 11.396 -28.422 29.403 1.00 0.00 C ATOM 54202 O4* G B2524 10.262 -27.645 29.889 1.00 0.00 O ATOM 54203 C3* G B2524 11.875 -29.185 30.638 1.00 0.00 C ATOM 54204 O3* G B2524 13.214 -29.555 30.522 1.00 0.00 O ATOM 54205 C2* G B2524 11.639 -28.172 31.753 1.00 0.00 C ATOM 54206 O2* G B2524 12.638 -27.164 31.742 1.00 0.00 O ATOM 54207 C1* G B2524 10.340 -27.510 31.298 1.00 0.00 C ATOM 54208 N9 G B2524 9.120 -28.126 31.890 1.00 0.00 N ATOM 54209 C8 G B2524 8.185 -28.948 31.294 1.00 0.00 C ATOM 54210 N7 G B2524 7.217 -29.319 32.097 1.00 0.00 N ATOM 54211 C5 G B2524 7.532 -28.702 33.309 1.00 0.00 C ATOM 54212 C6 G B2524 6.854 -28.733 34.554 1.00 0.00 C ATOM 54213 O6 G B2524 5.820 -29.322 34.853 1.00 0.00 O ATOM 54214 N1 G B2524 7.521 -27.966 35.518 1.00 0.00 N ATOM 54215 C2 G B2524 8.691 -27.260 35.307 1.00 0.00 C ATOM 54216 N2 G B2524 9.170 -26.591 36.358 1.00 0.00 N ATOM 54217 N3 G B2524 9.326 -27.232 34.137 1.00 0.00 N ATOM 54218 C4 G B2524 8.690 -27.973 33.189 1.00 0.00 C ATOM 54219 P G B2525 13.699 -30.963 31.191 1.00 0.00 P ATOM 54220 O1P G B2525 15.025 -31.353 30.662 1.00 0.00 O ATOM 54221 O2P G B2525 12.626 -31.971 31.050 1.00 0.00 O ATOM 54222 O5* G B2525 13.837 -30.533 32.727 1.00 0.00 O ATOM 54223 C5* G B2525 14.767 -29.493 33.081 1.00 0.00 C ATOM 54224 C4* G B2525 14.643 -29.163 34.553 1.00 0.00 C ATOM 54225 O4* G B2525 13.346 -28.539 34.789 1.00 0.00 O ATOM 54226 C3* G B2525 14.657 -30.360 35.508 1.00 0.00 C ATOM 54227 O3* G B2525 15.958 -30.755 35.814 1.00 0.00 O ATOM 54228 C2* G B2525 13.909 -29.808 36.719 1.00 0.00 C ATOM 54229 O2* G B2525 14.740 -28.943 37.473 1.00 0.00 O ATOM 54230 C1* G B2525 12.848 -28.938 36.056 1.00 0.00 C ATOM 54231 N9 G B2525 11.548 -29.636 35.839 1.00 0.00 N ATOM 54232 C8 G B2525 11.001 -30.113 34.669 1.00 0.00 C ATOM 54233 N7 G B2525 9.831 -30.684 34.821 1.00 0.00 N ATOM 54234 C5 G B2525 9.585 -30.578 36.191 1.00 0.00 C ATOM 54235 C6 G B2525 8.475 -31.015 36.955 1.00 0.00 C ATOM 54236 O6 G B2525 7.460 -31.597 36.577 1.00 0.00 O ATOM 54237 N1 G B2525 8.634 -30.704 38.311 1.00 0.00 N ATOM 54238 C2 G B2525 9.724 -30.056 38.860 1.00 0.00 C ATOM 54239 N2 G B2525 9.686 -29.853 40.179 1.00 0.00 N ATOM 54240 N3 G B2525 10.768 -29.648 38.140 1.00 0.00 N ATOM 54241 C4 G B2525 10.629 -29.940 36.820 1.00 0.00 C ATOM 54242 P G B2526 16.257 -32.341 36.060 1.00 0.00 P ATOM 54243 O1P G B2526 17.713 -32.602 36.002 1.00 0.00 O ATOM 54244 O2P G B2526 15.421 -33.148 35.144 1.00 0.00 O ATOM 54245 O5* G B2526 15.735 -32.514 37.562 1.00 0.00 O ATOM 54246 C5* G B2526 16.355 -31.745 38.609 1.00 0.00 C ATOM 54247 C4* G B2526 15.624 -31.970 39.919 1.00 0.00 C ATOM 54248 O4* G B2526 14.293 -31.387 39.826 1.00 0.00 O ATOM 54249 C3* G B2526 15.365 -33.429 40.294 1.00 0.00 C ATOM 54250 O3* G B2526 16.464 -34.001 40.927 1.00 0.00 O ATOM 54251 C2* G B2526 14.149 -33.310 41.212 1.00 0.00 C ATOM 54252 O2* G B2526 14.535 -32.842 42.493 1.00 0.00 O ATOM 54253 C1* G B2526 13.369 -32.182 40.545 1.00 0.00 C ATOM 54254 N9 G B2526 12.329 -32.659 39.591 1.00 0.00 N ATOM 54255 C8 G B2526 12.337 -32.634 38.212 1.00 0.00 C ATOM 54256 N7 G B2526 11.256 -33.136 37.665 1.00 0.00 N ATOM 54257 C5 G B2526 10.478 -33.521 38.756 1.00 0.00 C ATOM 54258 C6 G B2526 9.197 -34.127 38.797 1.00 0.00 C ATOM 54259 O6 G B2526 8.471 -34.456 37.861 1.00 0.00 O ATOM 54260 N1 G B2526 8.776 -34.347 40.117 1.00 0.00 N ATOM 54261 C2 G B2526 9.499 -34.024 41.246 1.00 0.00 C ATOM 54262 N2 G B2526 8.922 -34.318 42.415 1.00 0.00 N ATOM 54263 N3 G B2526 10.700 -33.455 41.206 1.00 0.00 N ATOM 54264 C4 G B2526 11.125 -33.234 39.935 1.00 0.00 C ATOM 54265 P C B2527 16.777 -35.583 40.679 1.00 0.00 P ATOM 54266 O1P C B2527 18.151 -35.910 41.117 1.00 0.00 O ATOM 54267 O2P C B2527 16.446 -35.939 39.280 1.00 0.00 O ATOM 54268 O5* C B2527 15.718 -36.258 41.672 1.00 0.00 O ATOM 54269 C5* C B2527 15.800 -35.971 43.079 1.00 0.00 C ATOM 54270 C4* C B2527 14.632 -36.610 43.809 1.00 0.00 C ATOM 54271 O4* C B2527 13.404 -35.939 43.407 1.00 0.00 O ATOM 54272 C3* C B2527 14.373 -38.082 43.487 1.00 0.00 C ATOM 54273 O3* C B2527 15.174 -38.922 44.253 1.00 0.00 O ATOM 54274 C2* C B2527 12.888 -38.223 43.818 1.00 0.00 C ATOM 54275 O2* C B2527 12.688 -38.285 45.219 1.00 0.00 O ATOM 54276 C1* C B2527 12.341 -36.875 43.353 1.00 0.00 C ATOM 54277 N1 C B2527 11.813 -36.892 41.960 1.00 0.00 N ATOM 54278 C2 C B2527 10.591 -37.521 41.736 1.00 0.00 C ATOM 54279 O2 C B2527 9.999 -38.033 42.695 1.00 0.00 O ATOM 54280 N3 C B2527 10.092 -37.547 40.474 1.00 0.00 N ATOM 54281 C4 C B2527 10.763 -36.981 39.462 1.00 0.00 C ATOM 54282 N4 C B2527 10.235 -37.033 38.250 1.00 0.00 N ATOM 54283 C5 C B2527 12.022 -36.329 39.671 1.00 0.00 C ATOM 54284 C6 C B2527 12.502 -36.313 40.942 1.00 0.00 C ATOM 54285 P U B2528 15.697 -40.322 43.593 1.00 0.00 P ATOM 54286 O1P U B2528 16.804 -40.885 44.396 1.00 0.00 O ATOM 54287 O2P U B2528 15.981 -40.116 42.156 1.00 0.00 O ATOM 54288 O5* U B2528 14.393 -41.237 43.762 1.00 0.00 O ATOM 54289 C5* U B2528 13.882 -41.493 45.082 1.00 0.00 C ATOM 54290 C4* U B2528 12.585 -42.268 44.995 1.00 0.00 C ATOM 54291 O4* U B2528 11.563 -41.411 44.409 1.00 0.00 O ATOM 54292 C3* U B2528 12.600 -43.496 44.087 1.00 0.00 C ATOM 54293 O3* U B2528 13.101 -44.615 44.746 1.00 0.00 O ATOM 54294 C2* U B2528 11.125 -43.641 43.720 1.00 0.00 C ATOM 54295 O2* U B2528 10.392 -44.200 44.798 1.00 0.00 O ATOM 54296 C1* U B2528 10.692 -42.183 43.597 1.00 0.00 C ATOM 54297 N1 U B2528 10.767 -41.650 42.208 1.00 0.00 N ATOM 54298 C2 U B2528 9.799 -42.070 41.326 1.00 0.00 C ATOM 54299 O2 U B2528 8.906 -42.841 41.638 1.00 0.00 O ATOM 54300 N3 U B2528 9.898 -41.553 40.050 1.00 0.00 N ATOM 54301 C4 U B2528 10.863 -40.681 39.592 1.00 0.00 C ATOM 54302 O4 U B2528 10.848 -40.288 38.422 1.00 0.00 O ATOM 54303 C5 U B2528 11.833 -40.301 40.590 1.00 0.00 C ATOM 54304 C6 U B2528 11.760 -40.786 41.839 1.00 0.00 C ATOM 54305 P G B2529 14.904 -44.638 45.063 1.00 0.00 P ATOM 54306 O1P G B2529 15.371 -45.998 45.406 1.00 0.00 O ATOM 54307 O2P G B2529 15.349 -43.553 45.971 1.00 0.00 O ATOM 54308 O5* G B2529 15.188 -44.230 43.317 1.00 0.00 O ATOM 54309 C5* G B2529 14.437 -44.671 42.180 1.00 0.00 C ATOM 54310 C4* G B2529 14.883 -44.061 40.758 1.00 0.00 C ATOM 54311 O4* G B2529 14.016 -43.159 40.011 1.00 0.00 O ATOM 54312 C3* G B2529 16.291 -43.718 40.258 1.00 0.00 C ATOM 54313 O3* G B2529 17.469 -44.597 40.663 1.00 0.00 O ATOM 54314 C2* G B2529 16.037 -43.405 38.786 1.00 0.00 C ATOM 54315 O2* G B2529 15.850 -44.598 38.045 1.00 0.00 O ATOM 54316 C1* G B2529 14.685 -42.704 38.844 1.00 0.00 C ATOM 54317 N9 G B2529 14.769 -40.983 38.902 1.00 0.00 N ATOM 54318 C8 G B2529 14.761 -40.146 40.000 1.00 0.00 C ATOM 54319 N7 G B2529 14.756 -38.871 39.696 1.00 0.00 N ATOM 54320 C5 G B2529 14.766 -38.862 38.303 1.00 0.00 C ATOM 54321 C6 G B2529 14.767 -37.767 37.397 1.00 0.00 C ATOM 54322 O6 G B2529 14.759 -36.565 37.640 1.00 0.00 O ATOM 54323 N1 G B2529 14.775 -38.207 36.067 1.00 0.00 N ATOM 54324 C2 G B2529 14.779 -39.530 35.660 1.00 0.00 C ATOM 54325 N2 G B2529 14.789 -39.741 34.344 1.00 0.00 N ATOM 54326 N3 G B2529 14.781 -40.553 36.514 1.00 0.00 N ATOM 54327 C4 G B2529 14.770 -40.147 37.809 1.00 0.00 C ATOM 54328 P A B2530 18.422 -43.927 42.078 1.00 0.00 P ATOM 54329 O1P A B2530 19.285 -44.953 42.702 1.00 0.00 O ATOM 54330 O2P A B2530 17.544 -43.173 42.999 1.00 0.00 O ATOM 54331 O5* A B2530 19.372 -42.795 41.014 1.00 0.00 O ATOM 54332 C5* A B2530 20.592 -42.144 40.620 1.00 0.00 C ATOM 54333 C4* A B2530 21.185 -42.720 39.215 1.00 0.00 C ATOM 54334 O4* A B2530 21.189 -44.174 39.079 1.00 0.00 O ATOM 54335 C3* A B2530 20.652 -42.228 37.865 1.00 0.00 C ATOM 54336 O3* A B2530 20.901 -40.745 37.567 1.00 0.00 O ATOM 54337 C2* A B2530 21.260 -43.236 36.894 1.00 0.00 C ATOM 54338 O2* A B2530 22.634 -42.965 36.673 1.00 0.00 O ATOM 54339 C1* A B2530 21.185 -44.527 37.706 1.00 0.00 C ATOM 54340 N9 A B2530 19.819 -45.467 37.405 1.00 0.00 N ATOM 54341 C8 A B2530 18.671 -45.579 38.163 1.00 0.00 C ATOM 54342 N7 A B2530 17.730 -46.259 37.587 1.00 0.00 N ATOM 54343 C5 A B2530 18.272 -46.631 36.367 1.00 0.00 C ATOM 54344 C6 A B2530 17.768 -47.374 35.291 1.00 0.00 C ATOM 54345 N6 A B2530 16.536 -47.902 35.271 1.00 0.00 N ATOM 54346 N1 A B2530 18.574 -47.554 34.229 1.00 0.00 N ATOM 54347 C2 A B2530 19.796 -47.027 34.254 1.00 0.00 C ATOM 54348 N3 A B2530 20.377 -46.317 35.201 1.00 0.00 N ATOM 54349 C4 A B2530 19.548 -46.152 36.250 1.00 0.00 C ATOM 54350 P A B2531 19.445 -39.669 37.781 1.00 0.00 P ATOM 54351 O1P A B2531 19.699 -38.545 38.713 1.00 0.00 O ATOM 54352 O2P A B2531 18.217 -40.453 38.045 1.00 0.00 O ATOM 54353 O5* A B2531 19.576 -39.140 36.050 1.00 0.00 O ATOM 54354 C5* A B2531 20.418 -38.474 35.099 1.00 0.00 C ATOM 54355 C4* A B2531 20.516 -39.220 33.662 1.00 0.00 C ATOM 54356 O4* A B2531 20.821 -40.644 33.630 1.00 0.00 O ATOM 54357 C3* A B2531 19.484 -39.034 32.541 1.00 0.00 C ATOM 54358 O3* A B2531 18.942 -37.669 32.176 1.00 0.00 O ATOM 54359 C2* A B2531 19.982 -40.030 31.493 1.00 0.00 C ATOM 54360 O2* A B2531 21.110 -39.520 30.808 1.00 0.00 O ATOM 54361 C1* A B2531 20.469 -41.181 32.364 1.00 0.00 C ATOM 54362 N9 A B2531 19.357 -42.387 32.600 1.00 0.00 N ATOM 54363 C8 A B2531 18.429 -42.514 33.615 1.00 0.00 C ATOM 54364 N7 A B2531 17.822 -43.657 33.639 1.00 0.00 N ATOM 54365 C5 A B2531 18.374 -44.348 32.570 1.00 0.00 C ATOM 54366 C6 A B2531 18.142 -45.639 32.056 1.00 0.00 C ATOM 54367 N6 A B2531 17.259 -46.497 32.581 1.00 0.00 N ATOM 54368 N1 A B2531 18.866 -46.013 30.985 1.00 0.00 N ATOM 54369 C2 A B2531 19.746 -45.155 30.467 1.00 0.00 C ATOM 54370 N3 A B2531 20.043 -43.938 30.860 1.00 0.00 N ATOM 54371 C4 A B2531 19.308 -43.585 31.936 1.00 0.00 C ATOM 54372 P G B2532 17.126 -37.564 32.387 1.00 0.00 P ATOM 54373 O1P G B2532 16.626 -36.238 31.958 1.00 0.00 O ATOM 54374 O2P G B2532 16.683 -38.016 33.723 1.00 0.00 O ATOM 54375 O5* G B2532 16.846 -38.857 31.137 1.00 0.00 O ATOM 54376 C5* G B2532 16.888 -39.454 29.830 1.00 0.00 C ATOM 54377 C4* G B2532 15.968 -40.767 29.600 1.00 0.00 C ATOM 54378 O4* G B2532 16.360 -41.953 30.345 1.00 0.00 O ATOM 54379 C3* G B2532 14.449 -40.723 29.749 1.00 0.00 C ATOM 54380 O3* G B2532 13.705 -39.770 28.809 1.00 0.00 O ATOM 54381 C2* G B2532 14.080 -42.206 29.720 1.00 0.00 C ATOM 54382 O2* G B2532 14.135 -42.713 28.397 1.00 0.00 O ATOM 54383 C1* G B2532 15.247 -42.825 30.485 1.00 0.00 C ATOM 54384 N9 G B2532 14.957 -43.068 32.167 1.00 0.00 N ATOM 54385 C8 G B2532 15.108 -42.182 33.213 1.00 0.00 C ATOM 54386 N7 G B2532 14.900 -42.713 34.391 1.00 0.00 N ATOM 54387 C5 G B2532 14.587 -44.042 34.111 1.00 0.00 C ATOM 54388 C6 G B2532 14.264 -45.111 34.987 1.00 0.00 C ATOM 54389 O6 G B2532 14.185 -45.105 36.209 1.00 0.00 O ATOM 54390 N1 G B2532 14.014 -46.293 34.276 1.00 0.00 N ATOM 54391 C2 G B2532 14.072 -46.427 32.903 1.00 0.00 C ATOM 54392 N2 G B2532 13.797 -47.646 32.421 1.00 0.00 N ATOM 54393 N3 G B2532 14.376 -45.427 32.084 1.00 0.00 N ATOM 54394 C4 G B2532 14.619 -44.265 32.753 1.00 0.00 C ATOM 54395 P U B2533 11.928 -39.554 29.174 1.00 0.00 P ATOM 54396 O1P U B2533 11.511 -38.136 29.079 1.00 0.00 O ATOM 54397 O2P U B2533 11.525 -40.264 30.406 1.00 0.00 O ATOM 54398 O5* U B2533 11.499 -40.475 27.668 1.00 0.00 O ATOM 54399 C5* U B2533 11.465 -41.298 26.496 1.00 0.00 C ATOM 54400 C4* U B2533 10.688 -42.708 26.725 1.00 0.00 C ATOM 54401 O4* U B2533 11.401 -43.747 27.455 1.00 0.00 O ATOM 54402 C3* U B2533 9.271 -42.770 27.295 1.00 0.00 C ATOM 54403 O3* U B2533 8.162 -41.962 26.644 1.00 0.00 O ATOM 54404 C2* U B2533 9.088 -44.268 27.544 1.00 0.00 C ATOM 54405 O2* U B2533 8.838 -44.950 26.325 1.00 0.00 O ATOM 54406 C1* U B2533 10.483 -44.678 28.001 1.00 0.00 C ATOM 54407 N1 U B2533 10.692 -44.710 29.678 1.00 0.00 N ATOM 54408 C2 U B2533 10.326 -45.860 30.330 1.00 0.00 C ATOM 54409 O2 U B2533 9.883 -46.837 29.756 1.00 0.00 O ATOM 54410 N3 U B2533 10.490 -45.842 31.701 1.00 0.00 N ATOM 54411 C4 U B2533 10.984 -44.793 32.453 1.00 0.00 C ATOM 54412 O4 U B2533 11.086 -44.895 33.677 1.00 0.00 O ATOM 54413 C5 U B2533 11.340 -43.627 31.678 1.00 0.00 C ATOM 54414 C6 U B2533 11.190 -43.620 30.345 1.00 0.00 C ATOM 54415 P A B2534 7.219 -40.973 27.859 1.00 0.00 P ATOM 54416 O1P A B2534 6.253 -40.078 27.187 1.00 0.00 O ATOM 54417 O2P A B2534 8.096 -40.334 28.868 1.00 0.00 O ATOM 54418 O5* A B2534 6.426 -42.476 28.504 1.00 0.00 O ATOM 54419 C5* A B2534 6.199 -43.882 28.320 1.00 0.00 C ATOM 54420 C4* A B2534 5.818 -44.694 29.675 1.00 0.00 C ATOM 54421 O4* A B2534 6.853 -45.452 30.363 1.00 0.00 O ATOM 54422 C3* A B2534 4.996 -44.078 30.807 1.00 0.00 C ATOM 54423 O3* A B2534 3.600 -43.656 30.328 1.00 0.00 O ATOM 54424 C2* A B2534 5.029 -45.181 31.862 1.00 0.00 C ATOM 54425 O2* A B2534 4.141 -46.231 31.522 1.00 0.00 O ATOM 54426 C1* A B2534 6.445 -45.727 31.693 1.00 0.00 C ATOM 54427 N9 A B2534 7.584 -45.065 32.745 1.00 0.00 N ATOM 54428 C8 A B2534 8.189 -43.831 32.684 1.00 0.00 C ATOM 54429 N7 A B2534 8.925 -43.553 33.718 1.00 0.00 N ATOM 54430 C5 A B2534 8.796 -44.674 34.530 1.00 0.00 C ATOM 54431 C6 A B2534 9.334 -44.998 35.784 1.00 0.00 C ATOM 54432 N6 A B2534 10.149 -44.185 36.471 1.00 0.00 N ATOM 54433 N1 A B2534 9.008 -46.193 36.306 1.00 0.00 N ATOM 54434 C2 A B2534 8.194 -46.992 35.618 1.00 0.00 C ATOM 54435 N3 A B2534 7.634 -46.797 34.446 1.00 0.00 N ATOM 54436 C4 A B2534 7.980 -45.595 33.945 1.00 0.00 C ATOM 54437 P G B2535 3.089 -41.994 30.828 1.00 0.00 P ATOM 54438 O1P G B2535 1.795 -41.598 30.228 1.00 0.00 O ATOM 54439 O2P G B2535 4.169 -40.983 30.757 1.00 0.00 O ATOM 54440 O5* G B2535 2.865 -42.443 32.349 1.00 0.00 O ATOM 54441 C5* G B2535 1.917 -43.489 32.632 1.00 0.00 C ATOM 54442 C4* G B2535 1.961 -43.835 34.108 1.00 0.00 C ATOM 54443 O4* G B2535 3.240 -44.462 34.409 1.00 0.00 O ATOM 54444 C3* G B2535 1.893 -42.652 35.074 1.00 0.00 C ATOM 54445 O3* G B2535 0.578 -42.258 35.312 1.00 0.00 O ATOM 54446 C2* G B2535 2.573 -43.217 36.320 1.00 0.00 C ATOM 54447 O2* G B2535 1.700 -44.090 37.015 1.00 0.00 O ATOM 54448 C1* G B2535 3.671 -44.080 35.705 1.00 0.00 C ATOM 54449 N9 G B2535 4.978 -43.380 35.571 1.00 0.00 N ATOM 54450 C8 G B2535 5.590 -42.889 34.439 1.00 0.00 C ATOM 54451 N7 G B2535 6.750 -42.319 34.661 1.00 0.00 N ATOM 54452 C5 G B2535 6.918 -42.442 36.041 1.00 0.00 C ATOM 54453 C6 G B2535 7.985 -42.015 36.874 1.00 0.00 C ATOM 54454 O6 G B2535 9.020 -41.430 36.559 1.00 0.00 O ATOM 54455 N1 G B2535 7.751 -42.345 38.214 1.00 0.00 N ATOM 54456 C2 G B2535 6.631 -42.998 38.693 1.00 0.00 C ATOM 54457 N2 G B2535 6.596 -43.219 40.007 1.00 0.00 N ATOM 54458 N3 G B2535 5.631 -43.398 37.910 1.00 0.00 N ATOM 54459 C4 G B2535 5.844 -43.088 36.605 1.00 0.00 C ATOM 54460 P G B2536 0.267 -40.675 35.561 1.00 0.00 P ATOM 54461 O1P G B2536 -1.187 -40.414 35.426 1.00 0.00 O ATOM 54462 O2P G B2536 1.151 -39.857 34.704 1.00 0.00 O ATOM 54463 O5* G B2536 0.701 -40.520 37.095 1.00 0.00 O ATOM 54464 C5* G B2536 0.026 -41.305 38.095 1.00 0.00 C ATOM 54465 C4* G B2536 0.681 -41.097 39.445 1.00 0.00 C ATOM 54466 O4* G B2536 2.014 -41.678 39.419 1.00 0.00 O ATOM 54467 C3* G B2536 0.921 -39.641 39.850 1.00 0.00 C ATOM 54468 O3* G B2536 -0.211 -39.079 40.428 1.00 0.00 O ATOM 54469 C2* G B2536 2.083 -39.773 40.836 1.00 0.00 C ATOM 54470 O2* G B2536 1.626 -40.257 42.087 1.00 0.00 O ATOM 54471 C1* G B2536 2.899 -40.892 40.199 1.00 0.00 C ATOM 54472 N9 G B2536 3.988 -40.404 39.309 1.00 0.00 N ATOM 54473 C8 G B2536 4.060 -40.412 37.933 1.00 0.00 C ATOM 54474 N7 G B2536 5.168 -39.904 37.452 1.00 0.00 N ATOM 54475 C5 G B2536 5.883 -39.532 38.590 1.00 0.00 C ATOM 54476 C6 G B2536 7.161 -38.927 38.708 1.00 0.00 C ATOM 54477 O6 G B2536 7.939 -38.588 37.821 1.00 0.00 O ATOM 54478 N1 G B2536 7.508 -38.724 40.050 1.00 0.00 N ATOM 54479 C2 G B2536 6.723 -39.061 41.137 1.00 0.00 C ATOM 54480 N2 G B2536 7.234 -38.784 42.339 1.00 0.00 N ATOM 54481 N3 G B2536 5.525 -39.628 41.023 1.00 0.00 N ATOM 54482 C4 G B2536 5.173 -39.834 39.728 1.00 0.00 C ATOM 54483 P U B2537 -0.512 -37.491 40.184 1.00 0.00 P ATOM 54484 O1P U B2537 -1.911 -37.169 40.550 1.00 0.00 O ATOM 54485 O2P U B2537 -0.105 -37.120 38.813 1.00 0.00 O ATOM 54486 O5* U B2537 0.489 -36.830 41.243 1.00 0.00 O ATOM 54487 C5* U B2537 0.330 -37.135 42.639 1.00 0.00 C ATOM 54488 C4* U B2537 1.453 -36.507 43.442 1.00 0.00 C ATOM 54489 O4* U B2537 2.702 -37.173 43.099 1.00 0.00 O ATOM 54490 C3* U B2537 1.731 -35.031 43.154 1.00 0.00 C ATOM 54491 O3* U B2537 0.886 -34.198 43.883 1.00 0.00 O ATOM 54492 C2* U B2537 3.195 -34.896 43.568 1.00 0.00 C ATOM 54493 O2* U B2537 3.315 -34.849 44.981 1.00 0.00 O ATOM 54494 C1* U B2537 3.768 -36.235 43.118 1.00 0.00 C ATOM 54495 N1 U B2537 4.372 -36.202 41.756 1.00 0.00 N ATOM 54496 C2 U B2537 5.589 -35.574 41.628 1.00 0.00 C ATOM 54497 O2 U B2537 6.172 -35.063 42.567 1.00 0.00 O ATOM 54498 N3 U B2537 6.118 -35.562 40.353 1.00 0.00 N ATOM 54499 C4 U B2537 5.545 -36.110 39.223 1.00 0.00 C ATOM 54500 O4 U B2537 6.116 -36.037 38.133 1.00 0.00 O ATOM 54501 C5 U B2537 4.271 -36.745 39.458 1.00 0.00 C ATOM 54502 C6 U B2537 3.733 -36.772 40.689 1.00 0.00 C ATOM 54503 P C B2538 0.402 -32.791 43.216 1.00 0.00 P ATOM 54504 O1P C B2538 -0.750 -32.239 43.961 1.00 0.00 O ATOM 54505 O2P C B2538 0.198 -32.979 41.762 1.00 0.00 O ATOM 54506 O5* C B2538 1.697 -31.878 43.465 1.00 0.00 O ATOM 54507 C5* C B2538 2.131 -31.641 44.816 1.00 0.00 C ATOM 54508 C4* C B2538 3.432 -30.866 44.814 1.00 0.00 C ATOM 54509 O4* C B2538 4.486 -31.714 44.273 1.00 0.00 O ATOM 54510 C3* C B2538 3.465 -29.625 43.919 1.00 0.00 C ATOM 54511 O3* C B2538 2.927 -28.513 44.565 1.00 0.00 O ATOM 54512 C2* C B2538 4.958 -29.475 43.638 1.00 0.00 C ATOM 54513 O2* C B2538 5.630 -28.932 44.759 1.00 0.00 O ATOM 54514 C1* C B2538 5.397 -30.932 43.522 1.00 0.00 C ATOM 54515 N1 C B2538 5.401 -31.446 42.124 1.00 0.00 N ATOM 54516 C2 C B2538 6.423 -31.021 41.278 1.00 0.00 C ATOM 54517 O2 C B2538 7.278 -30.241 41.720 1.00 0.00 O ATOM 54518 N3 C B2538 6.446 -31.479 39.999 1.00 0.00 N ATOM 54519 C4 C B2538 5.505 -32.322 39.561 1.00 0.00 C ATOM 54520 N4 C B2538 5.570 -32.737 38.306 1.00 0.00 N ATOM 54521 C5 C B2538 4.443 -32.770 40.415 1.00 0.00 C ATOM 54522 C6 C B2538 4.439 -32.303 41.687 1.00 0.00 C ATOM 54523 P C B2539 2.115 -27.407 43.679 1.00 0.00 P ATOM 54524 O1P C B2539 1.323 -26.525 44.563 1.00 0.00 O ATOM 54525 O2P C B2539 1.360 -28.094 42.607 1.00 0.00 O ATOM 54526 O5* C B2539 3.334 -26.585 43.042 1.00 0.00 O ATOM 54527 C5* C B2539 4.253 -25.911 43.919 1.00 0.00 C ATOM 54528 C4* C B2539 5.385 -25.304 43.114 1.00 0.00 C ATOM 54529 O4* C B2539 6.192 -26.381 42.553 1.00 0.00 O ATOM 54530 C3* C B2539 4.969 -24.482 41.895 1.00 0.00 C ATOM 54531 O3* C B2539 4.658 -23.169 42.245 1.00 0.00 O ATOM 54532 C2* C B2539 6.211 -24.573 41.009 1.00 0.00 C ATOM 54533 O2* C B2539 7.235 -23.720 41.485 1.00 0.00 O ATOM 54534 C1* C B2539 6.669 -26.005 41.270 1.00 0.00 C ATOM 54535 N1 C B2539 6.152 -26.991 40.281 1.00 0.00 N ATOM 54536 C2 C B2539 6.715 -26.993 39.009 1.00 0.00 C ATOM 54537 O2 C B2539 7.616 -26.182 38.754 1.00 0.00 O ATOM 54538 N3 C B2539 6.256 -27.881 38.091 1.00 0.00 N ATOM 54539 C4 C B2539 5.277 -28.743 38.406 1.00 0.00 C ATOM 54540 N4 C B2539 4.865 -29.590 37.476 1.00 0.00 N ATOM 54541 C5 C B2539 4.683 -28.757 39.710 1.00 0.00 C ATOM 54542 C6 C B2539 5.156 -27.860 40.610 1.00 0.00 C ATOM 54543 P C B2540 3.481 -22.394 41.416 1.00 0.00 P ATOM 54544 O1P C B2540 3.051 -21.187 42.153 1.00 0.00 O ATOM 54545 O2P C B2540 2.411 -23.353 41.068 1.00 0.00 O ATOM 54546 O5* C B2540 4.279 -21.965 40.095 1.00 0.00 O ATOM 54547 C5* C B2540 5.423 -21.104 40.220 1.00 0.00 C ATOM 54548 C4* C B2540 6.093 -20.931 38.871 1.00 0.00 C ATOM 54549 O4* C B2540 6.682 -22.202 38.471 1.00 0.00 O ATOM 54550 C3* C B2540 5.164 -20.575 37.707 1.00 0.00 C ATOM 54551 O3* C B2540 4.926 -19.204 37.648 1.00 0.00 O ATOM 54552 C2* C B2540 5.952 -21.090 36.504 1.00 0.00 C ATOM 54553 O2* C B2540 7.017 -20.213 36.185 1.00 0.00 O ATOM 54554 C1* C B2540 6.576 -22.361 37.067 1.00 0.00 C ATOM 54555 N1 C B2540 5.775 -23.590 36.802 1.00 0.00 N ATOM 54556 C2 C B2540 5.783 -24.102 35.508 1.00 0.00 C ATOM 54557 O2 C B2540 6.446 -23.523 34.639 1.00 0.00 O ATOM 54558 N3 C B2540 5.059 -25.221 35.245 1.00 0.00 N ATOM 54559 C4 C B2540 4.352 -25.820 36.214 1.00 0.00 C ATOM 54560 N4 C B2540 3.664 -26.909 35.904 1.00 0.00 N ATOM 54561 C5 C B2540 4.335 -25.310 37.550 1.00 0.00 C ATOM 54562 C6 C B2540 5.063 -24.190 37.792 1.00 0.00 C ATOM 54563 P A B2541 3.468 -18.683 37.132 1.00 0.00 P ATOM 54564 O1P A B2541 3.279 -17.256 37.483 1.00 0.00 O ATOM 54565 O2P A B2541 2.418 -19.607 37.616 1.00 0.00 O ATOM 54566 O5* A B2541 3.635 -18.836 35.547 1.00 0.00 O ATOM 54567 C5* A B2541 4.668 -18.087 34.881 1.00 0.00 C ATOM 54568 C4* A B2541 4.728 -18.477 33.418 1.00 0.00 C ATOM 54569 O4* A B2541 5.197 -19.852 33.313 1.00 0.00 O ATOM 54570 C3* A B2541 3.388 -18.487 32.677 1.00 0.00 C ATOM 54571 O3* A B2541 3.048 -17.218 32.218 1.00 0.00 O ATOM 54572 C2* A B2541 3.660 -19.471 31.541 1.00 0.00 C ATOM 54573 O2* A B2541 4.444 -18.865 30.527 1.00 0.00 O ATOM 54574 C1* A B2541 4.548 -20.501 32.231 1.00 0.00 C ATOM 54575 N9 A B2541 3.799 -21.667 32.777 1.00 0.00 N ATOM 54576 C8 A B2541 3.491 -21.966 34.086 1.00 0.00 C ATOM 54577 N7 A B2541 2.821 -23.066 34.229 1.00 0.00 N ATOM 54578 C5 A B2541 2.667 -23.539 32.934 1.00 0.00 C ATOM 54579 C6 A B2541 2.037 -24.679 32.410 1.00 0.00 C ATOM 54580 N6 A B2541 1.416 -25.596 33.169 1.00 0.00 N ATOM 54581 N1 A B2541 2.069 -24.846 31.076 1.00 0.00 N ATOM 54582 C2 A B2541 2.686 -23.934 30.328 1.00 0.00 C ATOM 54583 N3 A B2541 3.304 -22.835 30.705 1.00 0.00 N ATOM 54584 C4 A B2541 3.259 -22.692 32.045 1.00 0.00 C ATOM 54585 P A B2542 3.396 -15.608 33.134 1.00 0.00 P ATOM 54586 O1P A B2542 3.797 -15.838 34.538 1.00 0.00 O ATOM 54587 O2P A B2542 2.242 -14.696 32.931 1.00 0.00 O ATOM 54588 O5* A B2542 4.828 -14.900 32.197 1.00 0.00 O ATOM 54589 C5* A B2542 5.349 -13.709 31.527 1.00 0.00 C ATOM 54590 C4* A B2542 4.303 -12.908 30.569 1.00 0.00 C ATOM 54591 O4* A B2542 4.561 -11.584 30.022 1.00 0.00 O ATOM 54592 C3* A B2542 3.108 -13.412 29.761 1.00 0.00 C ATOM 54593 O3* A B2542 2.568 -14.841 29.822 1.00 0.00 O ATOM 54594 C2* A B2542 2.298 -12.134 29.555 1.00 0.00 C ATOM 54595 O2* A B2542 1.601 -11.784 30.737 1.00 0.00 O ATOM 54596 C1* A B2542 3.400 -11.100 29.362 1.00 0.00 C ATOM 54597 N9 A B2542 3.796 -10.785 27.751 1.00 0.00 N ATOM 54598 C8 A B2542 4.984 -11.030 27.098 1.00 0.00 C ATOM 54599 N7 A B2542 4.935 -10.840 25.816 1.00 0.00 N ATOM 54600 C5 A B2542 3.624 -10.443 25.589 1.00 0.00 C ATOM 54601 C6 A B2542 2.923 -10.085 24.428 1.00 0.00 C ATOM 54602 N6 A B2542 3.485 -10.072 23.206 1.00 0.00 N ATOM 54603 N1 A B2542 1.632 -9.739 24.557 1.00 0.00 N ATOM 54604 C2 A B2542 1.086 -9.751 25.766 1.00 0.00 C ATOM 54605 N3 A B2542 1.628 -10.065 26.925 1.00 0.00 N ATOM 54606 C4 A B2542 2.924 -10.409 26.763 1.00 0.00 C ATOM 54607 P G B2543 3.963 -15.999 29.484 1.00 0.00 P ATOM 54608 O1P G B2543 4.321 -16.867 30.629 1.00 0.00 O ATOM 54609 O2P G B2543 5.045 -15.129 28.972 1.00 0.00 O ATOM 54610 O5* G B2543 3.375 -16.890 28.290 1.00 0.00 O ATOM 54611 C5* G B2543 4.073 -16.920 27.033 1.00 0.00 C ATOM 54612 C4* G B2543 3.414 -17.915 26.099 1.00 0.00 C ATOM 54613 O4* G B2543 3.616 -19.261 26.623 1.00 0.00 O ATOM 54614 C3* G B2543 1.897 -17.797 25.964 1.00 0.00 C ATOM 54615 O3* G B2543 1.540 -16.835 25.022 1.00 0.00 O ATOM 54616 C2* G B2543 1.502 -19.208 25.539 1.00 0.00 C ATOM 54617 O2* G B2543 1.808 -19.430 24.172 1.00 0.00 O ATOM 54618 C1* G B2543 2.475 -20.058 26.352 1.00 0.00 C ATOM 54619 N9 G B2543 1.921 -20.524 27.654 1.00 0.00 N ATOM 54620 C8 G B2543 2.205 -20.084 28.929 1.00 0.00 C ATOM 54621 N7 G B2543 1.539 -20.709 29.871 1.00 0.00 N ATOM 54622 C5 G B2543 0.755 -21.627 29.171 1.00 0.00 C ATOM 54623 C6 G B2543 -0.174 -22.585 29.647 1.00 0.00 C ATOM 54624 O6 G B2543 -0.508 -22.826 30.805 1.00 0.00 O ATOM 54625 N1 G B2543 -0.746 -23.311 28.590 1.00 0.00 N ATOM 54626 C2 G B2543 -0.456 -23.133 27.253 1.00 0.00 C ATOM 54627 N2 G B2543 -1.109 -23.924 26.402 1.00 0.00 N ATOM 54628 N3 G B2543 0.417 -22.231 26.808 1.00 0.00 N ATOM 54629 C4 G B2543 0.981 -21.521 27.818 1.00 0.00 C ATOM 54630 P G B2544 0.178 -15.965 25.265 1.00 0.00 P ATOM 54631 O1P G B2544 0.168 -14.773 24.384 1.00 0.00 O ATOM 54632 O2P G B2544 0.018 -15.696 26.713 1.00 0.00 O ATOM 54633 O5* G B2544 -0.935 -17.008 24.782 1.00 0.00 O ATOM 54634 C5* G B2544 -0.906 -17.478 23.420 1.00 0.00 C ATOM 54635 C4* G B2544 -1.964 -18.545 23.218 1.00 0.00 C ATOM 54636 O4* G B2544 -1.594 -19.726 23.984 1.00 0.00 O ATOM 54637 C3* G B2544 -3.363 -18.198 23.728 1.00 0.00 C ATOM 54638 O3* G B2544 -4.081 -17.455 22.793 1.00 0.00 O ATOM 54639 C2* G B2544 -3.965 -19.581 23.970 1.00 0.00 C ATOM 54640 O2* G B2544 -4.345 -20.186 22.746 1.00 0.00 O ATOM 54641 C1* G B2544 -2.761 -20.356 24.493 1.00 0.00 C ATOM 54642 N9 G B2544 -2.662 -20.373 25.981 1.00 0.00 N ATOM 54643 C8 G B2544 -1.795 -19.683 26.804 1.00 0.00 C ATOM 54644 N7 G B2544 -1.968 -19.925 28.082 1.00 0.00 N ATOM 54645 C5 G B2544 -3.022 -20.838 28.106 1.00 0.00 C ATOM 54646 C6 G B2544 -3.661 -21.466 29.204 1.00 0.00 C ATOM 54647 O6 G B2544 -3.422 -21.348 30.403 1.00 0.00 O ATOM 54648 N1 G B2544 -4.686 -22.322 28.780 1.00 0.00 N ATOM 54649 C2 G B2544 -5.049 -22.541 27.465 1.00 0.00 C ATOM 54650 N2 G B2544 -6.057 -23.395 27.270 1.00 0.00 N ATOM 54651 N3 G B2544 -4.451 -21.950 26.433 1.00 0.00 N ATOM 54652 C4 G B2544 -3.450 -21.116 26.829 1.00 0.00 C ATOM 54653 P G B2545 -5.135 -16.330 23.328 1.00 0.00 P ATOM 54654 O1P G B2545 -5.509 -15.415 22.224 1.00 0.00 O ATOM 54655 O2P G B2545 -4.590 -15.681 24.541 1.00 0.00 O ATOM 54656 O5* G B2545 -6.387 -17.248 23.717 1.00 0.00 O ATOM 54657 C5* G B2545 -7.016 -18.041 22.697 1.00 0.00 C ATOM 54658 C4* G B2545 -8.086 -18.920 23.309 1.00 0.00 C ATOM 54659 O4* G B2545 -7.448 -19.920 24.154 1.00 0.00 O ATOM 54660 C3* G B2545 -9.071 -18.218 24.245 1.00 0.00 C ATOM 54661 O3* G B2545 -10.111 -17.619 23.540 1.00 0.00 O ATOM 54662 C2* G B2545 -9.543 -19.368 25.133 1.00 0.00 C ATOM 54663 O2* G B2545 -10.474 -20.185 24.442 1.00 0.00 O ATOM 54664 C1* G B2545 -8.263 -20.186 25.286 1.00 0.00 C ATOM 54665 N9 G B2545 -7.481 -19.846 26.508 1.00 0.00 N ATOM 54666 C8 G B2545 -6.306 -19.136 26.619 1.00 0.00 C ATOM 54667 N7 G B2545 -5.870 -19.014 27.851 1.00 0.00 N ATOM 54668 C5 G B2545 -6.827 -19.692 28.608 1.00 0.00 C ATOM 54669 C6 G B2545 -6.900 -19.902 30.008 1.00 0.00 C ATOM 54670 O6 G B2545 -6.127 -19.527 30.887 1.00 0.00 O ATOM 54671 N1 G B2545 -8.040 -20.642 30.356 1.00 0.00 N ATOM 54672 C2 G B2545 -8.982 -21.119 29.465 1.00 0.00 C ATOM 54673 N2 G B2545 -9.997 -21.803 29.995 1.00 0.00 N ATOM 54674 N3 G B2545 -8.912 -20.920 28.150 1.00 0.00 N ATOM 54675 C4 G B2545 -7.813 -20.204 27.796 1.00 0.00 C ATOM 54676 P U B2546 -10.745 -16.228 24.108 1.00 0.00 P ATOM 54677 O1P U B2546 -11.558 -15.571 23.059 1.00 0.00 O ATOM 54678 O2P U B2546 -9.672 -15.404 24.703 1.00 0.00 O ATOM 54679 O5* U B2546 -11.705 -16.787 25.264 1.00 0.00 O ATOM 54680 C5* U B2546 -12.770 -17.686 24.910 1.00 0.00 C ATOM 54681 C4* U B2546 -13.465 -18.181 26.163 1.00 0.00 C ATOM 54682 O4* U B2546 -12.546 -19.030 26.908 1.00 0.00 O ATOM 54683 C3* U B2546 -13.868 -17.105 27.172 1.00 0.00 C ATOM 54684 O3* U B2546 -15.094 -16.531 26.844 1.00 0.00 O ATOM 54685 C2* U B2546 -13.917 -17.892 28.480 1.00 0.00 C ATOM 54686 O2* U B2546 -15.094 -18.680 28.548 1.00 0.00 O ATOM 54687 C1* U B2546 -12.747 -18.858 28.300 1.00 0.00 C ATOM 54688 N1 U B2546 -11.470 -18.365 28.891 1.00 0.00 N ATOM 54689 C2 U B2546 -11.363 -18.401 30.262 1.00 0.00 C ATOM 54690 O2 U B2546 -12.255 -18.809 30.987 1.00 0.00 O ATOM 54691 N3 U B2546 -10.167 -17.939 30.772 1.00 0.00 N ATOM 54692 C4 U B2546 -9.097 -17.455 30.046 1.00 0.00 C ATOM 54693 O4 U B2546 -8.074 -17.068 30.619 1.00 0.00 O ATOM 54694 C5 U B2546 -9.306 -17.460 28.618 1.00 0.00 C ATOM 54695 C6 U B2546 -10.459 -17.901 28.095 1.00 0.00 C ATOM 54696 P A B2547 -15.157 -15.585 25.418 1.00 0.00 P ATOM 54697 O1P A B2547 -16.245 -15.980 24.497 1.00 0.00 O ATOM 54698 O2P A B2547 -13.939 -15.042 24.778 1.00 0.00 O ATOM 54699 O5* A B2547 -15.714 -14.544 26.500 1.00 0.00 O ATOM 54700 C5* A B2547 -16.849 -14.915 27.304 1.00 0.00 C ATOM 54701 C4* A B2547 -17.124 -13.843 28.336 1.00 0.00 C ATOM 54702 O4* A B2547 -16.028 -13.822 29.300 1.00 0.00 O ATOM 54703 C3* A B2547 -17.174 -12.410 27.811 1.00 0.00 C ATOM 54704 O3* A B2547 -18.434 -12.096 27.302 1.00 0.00 O ATOM 54705 C2* A B2547 -16.823 -11.596 29.058 1.00 0.00 C ATOM 54706 O2* A B2547 -17.930 -11.527 29.938 1.00 0.00 O ATOM 54707 C1* A B2547 -15.782 -12.491 29.722 1.00 0.00 C ATOM 54708 N9 A B2547 -14.380 -12.147 29.362 1.00 0.00 N ATOM 54709 C8 A B2547 -13.511 -12.810 28.527 1.00 0.00 C ATOM 54710 N7 A B2547 -12.347 -12.249 28.422 1.00 0.00 N ATOM 54711 C5 A B2547 -12.437 -11.132 29.242 1.00 0.00 C ATOM 54712 C6 A B2547 -11.525 -10.117 29.563 1.00 0.00 C ATOM 54713 N6 A B2547 -10.279 -10.058 29.071 1.00 0.00 N ATOM 54714 N1 A B2547 -11.938 -9.158 30.414 1.00 0.00 N ATOM 54715 C2 A B2547 -13.178 -9.221 30.898 1.00 0.00 C ATOM 54716 N3 A B2547 -14.114 -10.117 30.672 1.00 0.00 N ATOM 54717 C4 A B2547 -13.673 -11.063 29.819 1.00 0.00 C ATOM 54718 P U B2548 -18.536 -11.079 26.031 1.00 0.00 P ATOM 54719 O1P U B2548 -19.878 -11.158 25.414 1.00 0.00 O ATOM 54720 O2P U B2548 -17.393 -11.316 25.118 1.00 0.00 O ATOM 54721 O5* U B2548 -18.359 -9.664 26.760 1.00 0.00 O ATOM 54722 C5* U B2548 -19.316 -9.272 27.761 1.00 0.00 C ATOM 54723 C4* U B2548 -18.887 -7.967 28.405 1.00 0.00 C ATOM 54724 O4* U B2548 -17.678 -8.202 29.182 1.00 0.00 O ATOM 54725 C3* U B2548 -18.499 -6.849 27.443 1.00 0.00 C ATOM 54726 O3* U B2548 -19.616 -6.142 27.000 1.00 0.00 O ATOM 54727 C2* U B2548 -17.567 -5.996 28.303 1.00 0.00 C ATOM 54728 O2* U B2548 -18.307 -5.217 29.227 1.00 0.00 O ATOM 54729 C1* U B2548 -16.835 -7.061 29.108 1.00 0.00 C ATOM 54730 N1 U B2548 -15.540 -7.487 28.504 1.00 0.00 N ATOM 54731 C2 U B2548 -14.486 -6.608 28.601 1.00 0.00 C ATOM 54732 O2 U B2548 -14.573 -5.524 29.153 1.00 0.00 O ATOM 54733 N3 U B2548 -13.306 -7.037 28.029 1.00 0.00 N ATOM 54734 C4 U B2548 -13.094 -8.237 27.383 1.00 0.00 C ATOM 54735 O4 U B2548 -11.987 -8.510 26.908 1.00 0.00 O ATOM 54736 C5 U B2548 -14.257 -9.089 27.331 1.00 0.00 C ATOM 54737 C6 U B2548 -15.419 -8.700 27.878 1.00 0.00 C ATOM 54738 P G B2549 -19.615 -5.541 25.482 1.00 0.00 P ATOM 54739 O1P G B2549 -20.989 -5.161 25.081 1.00 0.00 O ATOM 54740 O2P G B2549 -18.918 -6.484 24.580 1.00 0.00 O ATOM 54741 O5* G B2549 -18.727 -4.223 25.680 1.00 0.00 O ATOM 54742 C5* G B2549 -19.178 -3.208 26.592 1.00 0.00 C ATOM 54743 C4* G B2549 -18.133 -2.122 26.717 1.00 0.00 C ATOM 54744 O4* G B2549 -16.960 -2.668 27.388 1.00 0.00 O ATOM 54745 C3* G B2549 -17.577 -1.574 25.402 1.00 0.00 C ATOM 54746 O3* G B2549 -18.399 -0.577 24.875 1.00 0.00 O ATOM 54747 C2* G B2549 -16.210 -1.045 25.823 1.00 0.00 C ATOM 54748 O2* G B2549 -16.336 0.187 26.513 1.00 0.00 O ATOM 54749 C1* G B2549 -15.784 -2.085 26.851 1.00 0.00 C ATOM 54750 N9 G B2549 -14.947 -3.184 26.283 1.00 0.00 N ATOM 54751 C8 G B2549 -15.290 -4.490 26.017 1.00 0.00 C ATOM 54752 N7 G B2549 -14.315 -5.205 25.511 1.00 0.00 N ATOM 54753 C5 G B2549 -13.249 -4.310 25.438 1.00 0.00 C ATOM 54754 C6 G B2549 -11.921 -4.501 24.975 1.00 0.00 C ATOM 54755 O6 G B2549 -11.404 -5.519 24.526 1.00 0.00 O ATOM 54756 N1 G B2549 -11.169 -3.325 25.079 1.00 0.00 N ATOM 54757 C2 G B2549 -11.633 -2.118 25.566 1.00 0.00 C ATOM 54758 N2 G B2549 -10.757 -1.113 25.584 1.00 0.00 N ATOM 54759 N3 G B2549 -12.880 -1.940 26.001 1.00 0.00 N ATOM 54760 C4 G B2549 -13.627 -3.072 25.907 1.00 0.00 C ATOM 54761 P G B2550 -18.532 -0.443 23.253 1.00 0.00 P ATOM 54762 O1P G B2550 -19.698 0.396 22.902 1.00 0.00 O ATOM 54763 O2P G B2550 -18.502 -1.792 22.645 1.00 0.00 O ATOM 54764 O5* G B2550 -17.178 0.337 22.908 1.00 0.00 O ATOM 54765 C5* G B2550 -16.959 1.641 23.475 1.00 0.00 C ATOM 54766 C4* G B2550 -15.572 2.134 23.118 1.00 0.00 C ATOM 54767 O4* G B2550 -14.588 1.311 23.799 1.00 0.00 O ATOM 54768 C3* G B2550 -15.187 2.028 21.642 1.00 0.00 C ATOM 54769 O3* G B2550 -15.652 3.119 20.911 1.00 0.00 O ATOM 54770 C2* G B2550 -13.661 1.974 21.713 1.00 0.00 C ATOM 54771 O2* G B2550 -13.124 3.261 21.966 1.00 0.00 O ATOM 54772 C1* G B2550 -13.442 1.144 22.974 1.00 0.00 C ATOM 54773 N9 G B2550 -13.270 -0.312 22.713 1.00 0.00 N ATOM 54774 C8 G B2550 -14.154 -1.346 22.934 1.00 0.00 C ATOM 54775 N7 G B2550 -13.691 -2.524 22.588 1.00 0.00 N ATOM 54776 C5 G B2550 -12.410 -2.250 22.106 1.00 0.00 C ATOM 54777 C6 G B2550 -11.421 -3.127 21.592 1.00 0.00 C ATOM 54778 O6 G B2550 -11.469 -4.345 21.452 1.00 0.00 O ATOM 54779 N1 G B2550 -10.264 -2.428 21.217 1.00 0.00 N ATOM 54780 C2 G B2550 -10.088 -1.063 21.327 1.00 0.00 C ATOM 54781 N2 G B2550 -8.911 -0.588 20.912 1.00 0.00 N ATOM 54782 N3 G B2550 -11.018 -0.241 21.810 1.00 0.00 N ATOM 54783 C4 G B2550 -12.146 -0.901 22.179 1.00 0.00 C ATOM 54784 P C B2551 -16.111 2.886 19.361 1.00 0.00 P ATOM 54785 O1P C B2551 -16.899 4.043 18.882 1.00 0.00 O ATOM 54786 O2P C B2551 -16.761 1.564 19.233 1.00 0.00 O ATOM 54787 O5* C B2551 -14.686 2.863 18.628 1.00 0.00 O ATOM 54788 C5* C B2551 -13.841 4.026 18.704 1.00 0.00 C ATOM 54789 C4* C B2551 -12.504 3.740 18.054 1.00 0.00 C ATOM 54790 O4* C B2551 -11.789 2.760 18.858 1.00 0.00 O ATOM 54791 C3* C B2551 -12.563 3.103 16.663 1.00 0.00 C ATOM 54792 O3* C B2551 -12.725 4.066 15.669 1.00 0.00 O ATOM 54793 C2* C B2551 -11.216 2.392 16.583 1.00 0.00 C ATOM 54794 O2* C B2551 -10.171 3.319 16.334 1.00 0.00 O ATOM 54795 C1* C B2551 -11.041 1.899 18.015 1.00 0.00 C ATOM 54796 N1 C B2551 -11.522 0.507 18.231 1.00 0.00 N ATOM 54797 C2 C B2551 -10.746 -0.535 17.727 1.00 0.00 C ATOM 54798 O2 C B2551 -9.702 -0.261 17.127 1.00 0.00 O ATOM 54799 N3 C B2551 -11.168 -1.811 17.915 1.00 0.00 N ATOM 54800 C4 C B2551 -12.309 -2.063 18.572 1.00 0.00 C ATOM 54801 N4 C B2551 -12.675 -3.327 18.728 1.00 0.00 N ATOM 54802 C5 C B2551 -13.120 -1.007 19.097 1.00 0.00 C ATOM 54803 C6 C B2551 -12.681 0.261 18.901 1.00 0.00 C ATOM 54804 P U B2552 -14.167 5.219 15.807 1.00 0.00 P ATOM 54805 O1P U B2552 -14.185 6.067 14.592 1.00 0.00 O ATOM 54806 O2P U B2552 -14.189 5.939 17.102 1.00 0.00 O ATOM 54807 O5* U B2552 -15.501 3.946 15.782 1.00 0.00 O ATOM 54808 C5* U B2552 -16.373 2.768 15.686 1.00 0.00 C ATOM 54809 C4* U B2552 -17.955 2.808 15.253 1.00 0.00 C ATOM 54810 O4* U B2552 -18.841 3.900 15.637 1.00 0.00 O ATOM 54811 C3* U B2552 -18.818 1.923 14.358 1.00 0.00 C ATOM 54812 O3* U B2552 -18.428 0.506 13.949 1.00 0.00 O ATOM 54813 C2* U B2552 -20.189 2.040 15.022 1.00 0.00 C ATOM 54814 O2* U B2552 -20.245 1.249 16.197 1.00 0.00 O ATOM 54815 C1* U B2552 -20.191 3.497 15.469 1.00 0.00 C ATOM 54816 N1 U B2552 -20.941 4.573 14.381 1.00 0.00 N ATOM 54817 C2 U B2552 -22.057 5.242 14.830 1.00 0.00 C ATOM 54818 O2 U B2552 -22.518 5.089 15.946 1.00 0.00 O ATOM 54819 N3 U B2552 -22.634 6.112 13.922 1.00 0.00 N ATOM 54820 C4 U B2552 -22.194 6.356 12.635 1.00 0.00 C ATOM 54821 O4 U B2552 -22.795 7.164 11.911 1.00 0.00 O ATOM 54822 C5 U B2552 -21.021 5.609 12.257 1.00 0.00 C ATOM 54823 C6 U B2552 -20.445 4.756 13.119 1.00 0.00 C ATOM 54824 P G B2553 -19.540 -0.476 12.843 1.00 0.00 P ATOM 54825 O1P G B2553 -20.948 -0.020 12.856 1.00 0.00 O ATOM 54826 O2P G B2553 -19.324 -1.911 13.144 1.00 0.00 O ATOM 54827 O5* G B2553 -18.765 0.012 11.246 1.00 0.00 O ATOM 54828 C5* G B2553 -17.999 -0.324 10.053 1.00 0.00 C ATOM 54829 C4* G B2553 -16.773 0.679 9.572 1.00 0.00 C ATOM 54830 O4* G B2553 -17.115 2.087 9.710 1.00 0.00 O ATOM 54831 C3* G B2553 -15.359 0.589 10.141 1.00 0.00 C ATOM 54832 O3* G B2553 -14.490 -0.679 9.659 1.00 0.00 O ATOM 54833 C2* G B2553 -14.745 1.912 9.692 1.00 0.00 C ATOM 54834 O2* G B2553 -14.411 1.871 8.312 1.00 0.00 O ATOM 54835 C1* G B2553 -15.934 2.860 9.831 1.00 0.00 C ATOM 54836 N9 G B2553 -15.998 3.720 11.327 1.00 0.00 N ATOM 54837 C8 G B2553 -15.954 3.229 12.615 1.00 0.00 C ATOM 54838 N7 G B2553 -16.182 4.131 13.539 1.00 0.00 N ATOM 54839 C5 G B2553 -16.392 5.304 12.814 1.00 0.00 C ATOM 54840 C6 G B2553 -16.686 6.619 13.262 1.00 0.00 C ATOM 54841 O6 G B2553 -16.819 7.024 14.414 1.00 0.00 O ATOM 54842 N1 G B2553 -16.817 7.507 12.190 1.00 0.00 N ATOM 54843 C2 G B2553 -16.685 7.173 10.856 1.00 0.00 C ATOM 54844 N2 G B2553 -16.855 8.166 9.984 1.00 0.00 N ATOM 54845 N3 G B2553 -16.416 5.939 10.433 1.00 0.00 N ATOM 54846 C4 G B2553 -16.280 5.063 11.466 1.00 0.00 C ATOM 54847 P U B2554 -14.915 -2.492 9.922 1.00 0.00 P ATOM 54848 O1P U B2554 -16.044 -2.865 9.039 1.00 0.00 O ATOM 54849 O2P U B2554 -15.124 -2.723 11.369 1.00 0.00 O ATOM 54850 O5* U B2554 -13.408 -3.498 9.382 1.00 0.00 O ATOM 54851 C5* U B2554 -12.775 -4.759 8.829 1.00 0.00 C ATOM 54852 C4* U B2554 -11.179 -5.301 8.952 1.00 0.00 C ATOM 54853 O4* U B2554 -10.318 -5.223 7.779 1.00 0.00 O ATOM 54854 C3* U B2554 -10.277 -4.851 10.103 1.00 0.00 C ATOM 54855 O3* U B2554 -10.869 -5.627 11.306 1.00 0.00 O ATOM 54856 C2* U B2554 -8.925 -5.428 9.690 1.00 0.00 C ATOM 54857 O2* U B2554 -8.878 -6.819 9.935 1.00 0.00 O ATOM 54858 C1* U B2554 -8.959 -5.244 8.176 1.00 0.00 C ATOM 54859 N1 U B2554 -8.208 -3.804 7.610 1.00 0.00 N ATOM 54860 C2 U B2554 -8.090 -2.768 8.513 1.00 0.00 C ATOM 54861 O2 U B2554 -8.417 -2.861 9.680 1.00 0.00 O ATOM 54862 N3 U B2554 -7.566 -1.597 7.993 1.00 0.00 N ATOM 54863 C4 U B2554 -7.167 -1.387 6.689 1.00 0.00 C ATOM 54864 O4 U B2554 -6.713 -0.290 6.342 1.00 0.00 O ATOM 54865 C5 U B2554 -7.328 -2.532 5.828 1.00 0.00 C ATOM 54866 C6 U B2554 -7.834 -3.682 6.300 1.00 0.00 C ATOM 54867 P U B2555 -9.729 -6.302 12.608 1.00 0.00 P ATOM 54868 O1P U B2555 -10.543 -7.145 13.511 1.00 0.00 O ATOM 54869 O2P U B2555 -9.100 -5.112 13.227 1.00 0.00 O ATOM 54870 O5* U B2555 -8.361 -7.352 11.882 1.00 0.00 O ATOM 54871 C5* U B2555 -7.035 -7.992 12.050 1.00 0.00 C ATOM 54872 C4* U B2555 -5.987 -8.424 10.820 1.00 0.00 C ATOM 54873 O4* U B2555 -4.571 -8.308 11.133 1.00 0.00 O ATOM 54874 C3* U B2555 -6.104 -9.793 10.140 1.00 0.00 C ATOM 54875 O3* U B2555 -6.241 -11.152 11.021 1.00 0.00 O ATOM 54876 C2* U B2555 -4.798 -9.873 9.357 1.00 0.00 C ATOM 54877 O2* U B2555 -4.861 -9.066 8.192 1.00 0.00 O ATOM 54878 C1* U B2555 -3.822 -9.192 10.313 1.00 0.00 C ATOM 54879 N1 U B2555 -2.641 -8.341 9.585 1.00 0.00 N ATOM 54880 C2 U B2555 -1.868 -9.012 8.660 1.00 0.00 C ATOM 54881 O2 U B2555 -2.122 -10.145 8.288 1.00 0.00 O ATOM 54882 N3 U B2555 -0.780 -8.318 8.179 1.00 0.00 N ATOM 54883 C4 U B2555 -0.407 -7.038 8.534 1.00 0.00 C ATOM 54884 O4 U B2555 0.593 -6.514 8.034 1.00 0.00 O ATOM 54885 C5 U B2555 -1.276 -6.413 9.502 1.00 0.00 C ATOM 54886 C6 U B2555 -2.345 -7.070 9.990 1.00 0.00 C ATOM 54887 P C B2556 -4.603 -11.861 11.490 1.00 0.00 P ATOM 54888 O1P C B2556 -3.694 -11.804 10.326 1.00 0.00 O ATOM 54889 O2P C B2556 -4.642 -13.155 12.215 1.00 0.00 O ATOM 54890 O5* C B2556 -4.281 -10.675 12.855 1.00 0.00 O ATOM 54891 C5* C B2556 -3.591 -11.561 13.773 1.00 0.00 C ATOM 54892 C4* C B2556 -2.971 -10.889 15.022 1.00 0.00 C ATOM 54893 O4* C B2556 -1.585 -10.441 15.076 1.00 0.00 O ATOM 54894 C3* C B2556 -3.384 -10.980 16.494 1.00 0.00 C ATOM 54895 O3* C B2556 -4.810 -12.241 16.428 1.00 0.00 O ATOM 54896 C2* C B2556 -2.100 -11.473 17.153 1.00 0.00 C ATOM 54897 O2* C B2556 -1.908 -12.855 16.914 1.00 0.00 O ATOM 54898 C1* C B2556 -1.038 -10.730 16.352 1.00 0.00 C ATOM 54899 N1 C B2556 -0.486 -9.214 17.079 1.00 0.00 N ATOM 54900 C2 C B2556 -0.706 -8.039 16.370 1.00 0.00 C ATOM 54901 O2 C B2556 -1.339 -8.098 15.307 1.00 0.00 O ATOM 54902 N3 C B2556 -0.229 -6.874 16.870 1.00 0.00 N ATOM 54903 C4 C B2556 0.446 -6.853 18.025 1.00 0.00 C ATOM 54904 N4 C B2556 0.896 -5.691 18.471 1.00 0.00 N ATOM 54905 C5 C B2556 0.689 -8.053 18.770 1.00 0.00 C ATOM 54906 C6 C B2556 0.201 -9.212 18.253 1.00 0.00 C ATOM 54907 P G B2557 -6.853 -12.248 16.204 1.00 0.00 P ATOM 54908 O1P G B2557 -7.325 -12.493 17.584 1.00 0.00 O ATOM 54909 O2P G B2557 -7.863 -12.423 15.137 1.00 0.00 O ATOM 54910 O5* G B2557 -6.208 -10.787 16.107 1.00 0.00 O ATOM 54911 C5* G B2557 -5.079 -10.577 15.240 1.00 0.00 C ATOM 54912 C4* G B2557 -4.715 -9.107 15.210 1.00 0.00 C ATOM 54913 O4* G B2557 -5.781 -8.369 14.545 1.00 0.00 O ATOM 54914 C3* G B2557 -4.586 -8.423 16.570 1.00 0.00 C ATOM 54915 O3* G B2557 -3.323 -8.620 17.126 1.00 0.00 O ATOM 54916 C2* G B2557 -4.857 -6.962 16.222 1.00 0.00 C ATOM 54917 O2* G B2557 -3.727 -6.379 15.599 1.00 0.00 O ATOM 54918 C1* G B2557 -5.934 -7.096 15.150 1.00 0.00 C ATOM 54919 N9 G B2557 -7.321 -7.003 15.681 1.00 0.00 N ATOM 54920 C8 G B2557 -8.254 -8.002 15.864 1.00 0.00 C ATOM 54921 N7 G B2557 -9.395 -7.586 16.358 1.00 0.00 N ATOM 54922 C5 G B2557 -9.205 -6.213 16.515 1.00 0.00 C ATOM 54923 C6 G B2557 -10.090 -5.221 17.006 1.00 0.00 C ATOM 54924 O6 G B2557 -11.241 -5.347 17.413 1.00 0.00 O ATOM 54925 N1 G B2557 -9.494 -3.952 16.992 1.00 0.00 N ATOM 54926 C2 G B2557 -8.211 -3.678 16.561 1.00 0.00 C ATOM 54927 N2 G B2557 -7.828 -2.402 16.629 1.00 0.00 N ATOM 54928 N3 G B2557 -7.382 -4.613 16.098 1.00 0.00 N ATOM 54929 C4 G B2557 -7.945 -5.849 16.103 1.00 0.00 C ATOM 54930 P C B2558 -3.191 -8.752 18.747 1.00 0.00 P ATOM 54931 O1P C B2558 -1.869 -9.311 19.107 1.00 0.00 O ATOM 54932 O2P C B2558 -4.364 -9.477 19.280 1.00 0.00 O ATOM 54933 O5* C B2558 -3.261 -7.210 19.179 1.00 0.00 O ATOM 54934 C5* C B2558 -2.260 -6.302 18.692 1.00 0.00 C ATOM 54935 C4* C B2558 -2.591 -4.889 19.121 1.00 0.00 C ATOM 54936 O4* C B2558 -3.793 -4.454 18.426 1.00 0.00 O ATOM 54937 C3* C B2558 -2.934 -4.703 20.600 1.00 0.00 C ATOM 54938 O3* C B2558 -1.785 -4.558 21.378 1.00 0.00 O ATOM 54939 C2* C B2558 -3.789 -3.439 20.575 1.00 0.00 C ATOM 54940 O2* C B2558 -2.980 -2.286 20.410 1.00 0.00 O ATOM 54941 C1* C B2558 -4.566 -3.622 19.275 1.00 0.00 C ATOM 54942 N1 C B2558 -5.899 -4.265 19.460 1.00 0.00 N ATOM 54943 C2 C B2558 -6.916 -3.495 20.016 1.00 0.00 C ATOM 54944 O2 C B2558 -6.678 -2.325 20.332 1.00 0.00 O ATOM 54945 N3 C B2558 -8.137 -4.062 20.193 1.00 0.00 N ATOM 54946 C4 C B2558 -8.358 -5.335 19.839 1.00 0.00 C ATOM 54947 N4 C B2558 -9.566 -5.840 20.032 1.00 0.00 N ATOM 54948 C5 C B2558 -7.324 -6.141 19.264 1.00 0.00 C ATOM 54949 C6 C B2558 -6.112 -5.556 19.096 1.00 0.00 C ATOM 54950 P C B2559 -1.787 -5.155 22.896 1.00 0.00 P ATOM 54951 O1P C B2559 -0.403 -5.237 23.413 1.00 0.00 O ATOM 54952 O2P C B2559 -2.561 -6.416 22.929 1.00 0.00 O ATOM 54953 O5* C B2559 -2.587 -4.005 23.672 1.00 0.00 O ATOM 54954 C5* C B2559 -2.049 -2.672 23.684 1.00 0.00 C ATOM 54955 C4* C B2559 -3.025 -1.726 24.360 1.00 0.00 C ATOM 54956 O4* C B2559 -4.213 -1.598 23.526 1.00 0.00 O ATOM 54957 C3* C B2559 -3.575 -2.193 25.711 1.00 0.00 C ATOM 54958 O3* C B2559 -2.709 -1.875 26.753 1.00 0.00 O ATOM 54959 C2* C B2559 -4.898 -1.435 25.793 1.00 0.00 C ATOM 54960 O2* C B2559 -4.680 -0.076 26.126 1.00 0.00 O ATOM 54961 C1* C B2559 -5.364 -1.468 24.342 1.00 0.00 C ATOM 54962 N1 C B2559 -6.279 -2.601 24.032 1.00 0.00 N ATOM 54963 C2 C B2559 -7.589 -2.528 24.499 1.00 0.00 C ATOM 54964 O2 C B2559 -7.936 -1.534 25.146 1.00 0.00 O ATOM 54965 N3 C B2559 -8.434 -3.552 24.228 1.00 0.00 N ATOM 54966 C4 C B2559 -8.022 -4.613 23.523 1.00 0.00 C ATOM 54967 N4 C B2559 -8.889 -5.586 23.284 1.00 0.00 N ATOM 54968 C5 C B2559 -6.680 -4.710 23.032 1.00 0.00 C ATOM 54969 C6 C B2559 -5.848 -3.675 23.315 1.00 0.00 C ATOM 54970 P A B2560 -2.606 -2.891 28.027 1.00 0.00 P ATOM 54971 O1P A B2560 -1.401 -2.590 28.827 1.00 0.00 O ATOM 54972 O2P A B2560 -2.736 -4.287 27.552 1.00 0.00 O ATOM 54973 O5* A B2560 -3.917 -2.476 28.846 1.00 0.00 O ATOM 54974 C5* A B2560 -4.043 -1.126 29.324 1.00 0.00 C ATOM 54975 C4* A B2560 -5.403 -0.920 29.957 1.00 0.00 C ATOM 54976 O4* A B2560 -6.424 -1.001 28.918 1.00 0.00 O ATOM 54977 C3* A B2560 -5.831 -1.983 30.973 1.00 0.00 C ATOM 54978 O3* A B2560 -5.318 -1.714 32.240 1.00 0.00 O ATOM 54979 C2* A B2560 -7.354 -1.879 30.918 1.00 0.00 C ATOM 54980 O2* A B2560 -7.805 -0.738 31.623 1.00 0.00 O ATOM 54981 C1* A B2560 -7.595 -1.611 29.436 1.00 0.00 C ATOM 54982 N9 A B2560 -7.863 -2.839 28.641 1.00 0.00 N ATOM 54983 C8 A B2560 -7.037 -3.496 27.755 1.00 0.00 C ATOM 54984 N7 A B2560 -7.573 -4.548 27.218 1.00 0.00 N ATOM 54985 C5 A B2560 -8.839 -4.606 27.778 1.00 0.00 C ATOM 54986 C6 A B2560 -9.909 -5.501 27.618 1.00 0.00 C ATOM 54987 N6 A B2560 -9.867 -6.563 26.802 1.00 0.00 N ATOM 54988 N1 A B2560 -11.027 -5.265 28.330 1.00 0.00 N ATOM 54989 C2 A B2560 -11.062 -4.210 29.139 1.00 0.00 C ATOM 54990 N3 A B2560 -10.132 -3.310 29.371 1.00 0.00 N ATOM 54991 C4 A B2560 -9.022 -3.569 28.650 1.00 0.00 C ATOM 54992 P U B2561 -4.912 -2.970 33.202 1.00 0.00 P ATOM 54993 O1P U B2561 -4.064 -2.500 34.321 1.00 0.00 O ATOM 54994 O2P U B2561 -4.347 -4.062 32.379 1.00 0.00 O ATOM 54995 O5* U B2561 -6.351 -3.396 33.757 1.00 0.00 O ATOM 54996 C5* U B2561 -7.121 -2.445 34.514 1.00 0.00 C ATOM 54997 C4* U B2561 -8.489 -3.014 34.826 1.00 0.00 C ATOM 54998 O4* U B2561 -9.245 -3.139 33.588 1.00 0.00 O ATOM 54999 C3* U B2561 -8.505 -4.431 35.407 1.00 0.00 C ATOM 55000 O3* U B2561 -8.309 -4.419 36.787 1.00 0.00 O ATOM 55001 C2* U B2561 -9.896 -4.923 35.017 1.00 0.00 C ATOM 55002 O2* U B2561 -10.888 -4.351 35.855 1.00 0.00 O ATOM 55003 C1* U B2561 -10.066 -4.295 33.636 1.00 0.00 C ATOM 55004 N1 U B2561 -9.665 -5.192 32.516 1.00 0.00 N ATOM 55005 C2 U B2561 -10.514 -6.228 32.209 1.00 0.00 C ATOM 55006 O2 U B2561 -11.557 -6.431 32.809 1.00 0.00 O ATOM 55007 N3 U B2561 -10.113 -7.038 31.166 1.00 0.00 N ATOM 55008 C4 U B2561 -8.957 -6.901 30.423 1.00 0.00 C ATOM 55009 O4 U B2561 -8.700 -7.688 29.512 1.00 0.00 O ATOM 55010 C5 U B2561 -8.129 -5.785 30.818 1.00 0.00 C ATOM 55011 C6 U B2561 -8.497 -4.980 31.829 1.00 0.00 C ATOM 55012 P U B2562 -6.896 -5.706 36.901 1.00 0.00 P ATOM 55013 O1P U B2562 -6.068 -5.294 38.057 1.00 0.00 O ATOM 55014 O2P U B2562 -6.202 -5.753 35.593 1.00 0.00 O ATOM 55015 O5* U B2562 -7.549 -7.465 37.111 1.00 0.00 O ATOM 55016 C5* U B2562 -6.715 -8.738 37.061 1.00 0.00 C ATOM 55017 C4* U B2562 -7.270 -10.297 36.873 1.00 0.00 C ATOM 55018 O4* U B2562 -8.444 -10.616 36.074 1.00 0.00 O ATOM 55019 C3* U B2562 -6.695 -11.664 37.247 1.00 0.00 C ATOM 55020 O3* U B2562 -5.523 -12.599 36.635 1.00 0.00 O ATOM 55021 C2* U B2562 -7.958 -12.499 37.436 1.00 0.00 C ATOM 55022 O2* U B2562 -8.579 -12.200 38.673 1.00 0.00 O ATOM 55023 C1* U B2562 -8.862 -11.942 36.341 1.00 0.00 C ATOM 55024 N1 U B2562 -10.450 -11.914 36.718 1.00 0.00 N ATOM 55025 C2 U B2562 -11.026 -13.109 37.089 1.00 0.00 C ATOM 55026 O2 U B2562 -10.381 -14.136 37.234 1.00 0.00 O ATOM 55027 N3 U B2562 -12.390 -13.078 37.278 1.00 0.00 N ATOM 55028 C4 U B2562 -13.214 -11.980 37.137 1.00 0.00 C ATOM 55029 O4 U B2562 -14.426 -12.074 37.341 1.00 0.00 O ATOM 55030 C5 U B2562 -12.523 -10.773 36.749 1.00 0.00 C ATOM 55031 C6 U B2562 -11.189 -10.774 36.556 1.00 0.00 C ATOM 55032 P U B2563 -5.644 -14.449 36.974 1.00 0.00 P ATOM 55033 O1P U B2563 -6.223 -15.158 35.805 1.00 0.00 O ATOM 55034 O2P U B2563 -6.325 -14.679 38.266 1.00 0.00 O ATOM 55035 O5* U B2563 -3.881 -14.936 37.225 1.00 0.00 O ATOM 55036 C5* U B2563 -2.451 -15.019 37.145 1.00 0.00 C ATOM 55037 C4* U B2563 -2.076 -13.864 36.102 1.00 0.00 C ATOM 55038 O4* U B2563 -2.979 -12.725 36.134 1.00 0.00 O ATOM 55039 C3* U B2563 -0.722 -13.243 35.737 1.00 0.00 C ATOM 55040 O3* U B2563 0.277 -14.268 35.122 1.00 0.00 O ATOM 55041 C2* U B2563 -1.129 -12.136 34.769 1.00 0.00 C ATOM 55042 O2* U B2563 -1.456 -12.674 33.493 1.00 0.00 O ATOM 55043 C1* U B2563 -2.433 -11.650 35.388 1.00 0.00 C ATOM 55044 N1 U B2563 -2.273 -10.320 36.413 1.00 0.00 N ATOM 55045 C2 U B2563 -2.833 -9.139 35.993 1.00 0.00 C ATOM 55046 O2 U B2563 -3.351 -9.005 34.899 1.00 0.00 O ATOM 55047 N3 U B2563 -2.774 -8.101 36.899 1.00 0.00 N ATOM 55048 C4 U B2563 -2.214 -8.139 38.160 1.00 0.00 C ATOM 55049 O4 U B2563 -2.216 -7.140 38.884 1.00 0.00 O ATOM 55050 C5 U B2563 -1.649 -9.425 38.508 1.00 0.00 C ATOM 55051 C6 U B2563 -1.693 -10.451 37.645 1.00 0.00 C ATOM 55052 P A B2564 -0.371 -15.928 34.633 1.00 0.00 P ATOM 55053 O1P A B2564 -0.609 -16.733 35.849 1.00 0.00 O ATOM 55054 O2P A B2564 0.436 -16.576 33.576 1.00 0.00 O ATOM 55055 O5* A B2564 -1.894 -15.295 33.844 1.00 0.00 O ATOM 55056 C5* A B2564 -2.805 -14.644 32.931 1.00 0.00 C ATOM 55057 C4* A B2564 -2.205 -14.447 31.445 1.00 0.00 C ATOM 55058 O4* A B2564 -2.764 -15.178 30.317 1.00 0.00 O ATOM 55059 C3* A B2564 -1.420 -13.310 30.793 1.00 0.00 C ATOM 55060 O3* A B2564 -0.501 -12.355 31.551 1.00 0.00 O ATOM 55061 C2* A B2564 -0.863 -13.981 29.539 1.00 0.00 C ATOM 55062 O2* A B2564 0.234 -14.823 29.862 1.00 0.00 O ATOM 55063 C1* A B2564 -2.022 -14.890 29.142 1.00 0.00 C ATOM 55064 N9 A B2564 -3.074 -14.231 27.997 1.00 0.00 N ATOM 55065 C8 A B2564 -2.882 -14.088 26.640 1.00 0.00 C ATOM 55066 N7 A B2564 -3.935 -13.683 26.000 1.00 0.00 N ATOM 55067 C5 A B2564 -4.896 -13.542 26.992 1.00 0.00 C ATOM 55068 C6 A B2564 -6.241 -13.134 26.950 1.00 0.00 C ATOM 55069 N6 A B2564 -6.876 -12.781 25.825 1.00 0.00 N ATOM 55070 N1 A B2564 -6.914 -13.106 28.117 1.00 0.00 N ATOM 55071 C2 A B2564 -6.279 -13.460 29.235 1.00 0.00 C ATOM 55072 N3 A B2564 -5.033 -13.853 29.392 1.00 0.00 N ATOM 55073 C4 A B2564 -4.382 -13.876 28.211 1.00 0.00 C ATOM 55074 P A B2565 -0.922 -10.568 31.508 1.00 0.00 P ATOM 55075 O1P A B2565 -2.381 -10.337 31.535 1.00 0.00 O ATOM 55076 O2P A B2565 -0.180 -9.849 30.444 1.00 0.00 O ATOM 55077 O5* A B2565 -0.136 -10.278 33.127 1.00 0.00 O ATOM 55078 C5* A B2565 0.261 -9.825 34.431 1.00 0.00 C ATOM 55079 C4* A B2565 1.857 -9.587 34.642 1.00 0.00 C ATOM 55080 O4* A B2565 2.783 -10.307 33.787 1.00 0.00 O ATOM 55081 C3* A B2565 2.452 -8.181 34.731 1.00 0.00 C ATOM 55082 O3* A B2565 1.862 -7.103 35.630 1.00 0.00 O ATOM 55083 C2* A B2565 3.956 -8.472 34.736 1.00 0.00 C ATOM 55084 O2* A B2565 4.372 -8.950 36.006 1.00 0.00 O ATOM 55085 C1* A B2565 4.042 -9.654 33.772 1.00 0.00 C ATOM 55086 N9 A B2565 4.407 -9.232 32.163 1.00 0.00 N ATOM 55087 C8 A B2565 5.628 -9.252 31.528 1.00 0.00 C ATOM 55088 N7 A B2565 5.611 -8.744 30.334 1.00 0.00 N ATOM 55089 C5 A B2565 4.288 -8.358 30.156 1.00 0.00 C ATOM 55090 C6 A B2565 3.616 -7.749 29.084 1.00 0.00 C ATOM 55091 N6 A B2565 4.217 -7.406 27.933 1.00 0.00 N ATOM 55092 N1 A B2565 2.303 -7.503 29.235 1.00 0.00 N ATOM 55093 C2 A B2565 1.715 -7.847 30.384 1.00 0.00 C ATOM 55094 N3 A B2565 2.237 -8.416 31.446 1.00 0.00 N ATOM 55095 C4 A B2565 3.552 -8.652 31.265 1.00 0.00 C ATOM 55096 P A B2566 1.262 -7.556 37.296 1.00 0.00 P ATOM 55097 O1P A B2566 1.535 -8.959 37.675 1.00 0.00 O ATOM 55098 O2P A B2566 -0.146 -7.113 37.426 1.00 0.00 O ATOM 55099 O5* A B2566 2.349 -6.405 38.197 1.00 0.00 O ATOM 55100 C5* A B2566 3.696 -6.853 38.166 1.00 0.00 C ATOM 55101 C4* A B2566 4.435 -6.145 36.941 1.00 0.00 C ATOM 55102 O4* A B2566 3.836 -5.917 35.630 1.00 0.00 O ATOM 55103 C3* A B2566 5.226 -4.864 37.216 1.00 0.00 C ATOM 55104 O3* A B2566 6.051 -5.228 38.436 1.00 0.00 O ATOM 55105 C2* A B2566 5.742 -4.503 35.822 1.00 0.00 C ATOM 55106 O2* A B2566 6.828 -5.338 35.456 1.00 0.00 O ATOM 55107 C1* A B2566 4.556 -4.905 34.943 1.00 0.00 C ATOM 55108 N9 A B2566 3.507 -3.667 34.588 1.00 0.00 N ATOM 55109 C8 A B2566 2.287 -3.388 35.162 1.00 0.00 C ATOM 55110 N7 A B2566 1.777 -2.251 34.795 1.00 0.00 N ATOM 55111 C5 A B2566 2.718 -1.731 33.922 1.00 0.00 C ATOM 55112 C6 A B2566 2.772 -0.533 33.192 1.00 0.00 C ATOM 55113 N6 A B2566 1.807 0.398 33.225 1.00 0.00 N ATOM 55114 N1 A B2566 3.852 -0.325 32.419 1.00 0.00 N ATOM 55115 C2 A B2566 4.809 -1.251 32.388 1.00 0.00 C ATOM 55116 N3 A B2566 4.867 -2.403 33.026 1.00 0.00 N ATOM 55117 C4 A B2566 3.776 -2.583 33.793 1.00 0.00 C ATOM 55118 P G B2567 5.952 -4.177 39.978 1.00 0.00 P ATOM 55119 O1P G B2567 6.173 -2.764 39.598 1.00 0.00 O ATOM 55120 O2P G B2567 7.002 -4.788 40.822 1.00 0.00 O ATOM 55121 O5* G B2567 4.528 -4.329 40.689 1.00 0.00 O ATOM 55122 C5* G B2567 3.533 -3.309 40.491 1.00 0.00 C ATOM 55123 C4* G B2567 2.231 -3.714 41.150 1.00 0.00 C ATOM 55124 O4* G B2567 1.678 -4.859 40.434 1.00 0.00 O ATOM 55125 C3* G B2567 2.339 -4.205 42.592 1.00 0.00 C ATOM 55126 O3* G B2567 2.340 -3.143 43.494 1.00 0.00 O ATOM 55127 C2* G B2567 1.099 -5.089 42.726 1.00 0.00 C ATOM 55128 O2* G B2567 -0.069 -4.300 42.870 1.00 0.00 O ATOM 55129 C1* G B2567 1.031 -5.735 41.345 1.00 0.00 C ATOM 55130 N9 G B2567 1.706 -7.057 41.268 1.00 0.00 N ATOM 55131 C8 G B2567 2.909 -7.392 40.682 1.00 0.00 C ATOM 55132 N7 G B2567 3.222 -8.661 40.791 1.00 0.00 N ATOM 55133 C5 G B2567 2.153 -9.207 41.497 1.00 0.00 C ATOM 55134 C6 G B2567 1.925 -10.541 41.921 1.00 0.00 C ATOM 55135 O6 G B2567 2.628 -11.536 41.753 1.00 0.00 O ATOM 55136 N1 G B2567 0.709 -10.657 42.609 1.00 0.00 N ATOM 55137 C2 G B2567 -0.168 -9.620 42.862 1.00 0.00 C ATOM 55138 N2 G B2567 -1.274 -9.937 43.541 1.00 0.00 N ATOM 55139 N3 G B2567 0.048 -8.369 42.467 1.00 0.00 N ATOM 55140 C4 G B2567 1.222 -8.238 41.793 1.00 0.00 C ATOM 55141 P U B2568 3.220 -3.277 44.863 1.00 0.00 P ATOM 55142 O1P U B2568 3.394 -1.947 45.492 1.00 0.00 O ATOM 55143 O2P U B2568 4.468 -4.018 44.575 1.00 0.00 O ATOM 55144 O5* U B2568 2.249 -4.180 45.761 1.00 0.00 O ATOM 55145 C5* U B2568 0.938 -3.682 46.087 1.00 0.00 C ATOM 55146 C4* U B2568 0.154 -4.743 46.831 1.00 0.00 C ATOM 55147 O4* U B2568 -0.127 -5.845 45.921 1.00 0.00 O ATOM 55148 C3* U B2568 0.876 -5.408 48.000 1.00 0.00 C ATOM 55149 O3* U B2568 0.763 -4.656 49.168 1.00 0.00 O ATOM 55150 C2* U B2568 0.159 -6.755 48.097 1.00 0.00 C ATOM 55151 O2* U B2568 -1.112 -6.604 48.706 1.00 0.00 O ATOM 55152 C1* U B2568 -0.086 -7.074 46.628 1.00 0.00 C ATOM 55153 N1 U B2568 0.971 -7.924 46.013 1.00 0.00 N ATOM 55154 C2 U B2568 0.983 -9.255 46.358 1.00 0.00 C ATOM 55155 O2 U B2568 0.180 -9.746 47.130 1.00 0.00 O ATOM 55156 N3 U B2568 1.979 -10.009 45.769 1.00 0.00 N ATOM 55157 C4 U B2568 2.940 -9.555 44.886 1.00 0.00 C ATOM 55158 O4 U B2568 3.781 -10.329 44.426 1.00 0.00 O ATOM 55159 C5 U B2568 2.844 -8.148 44.587 1.00 0.00 C ATOM 55160 C6 U B2568 1.887 -7.390 45.143 1.00 0.00 C ATOM 55161 P G B2569 2.006 -4.651 50.224 1.00 0.00 P ATOM 55162 O1P G B2569 1.856 -3.537 51.186 1.00 0.00 O ATOM 55163 O2P G B2569 3.284 -4.696 49.480 1.00 0.00 O ATOM 55164 O5* G B2569 1.767 -6.046 50.976 1.00 0.00 O ATOM 55165 C5* G B2569 0.534 -6.254 51.689 1.00 0.00 C ATOM 55166 C4* G B2569 0.468 -7.674 52.210 1.00 0.00 C ATOM 55167 O4* G B2569 0.350 -8.585 51.077 1.00 0.00 O ATOM 55168 C3* G B2569 1.710 -8.171 52.951 1.00 0.00 C ATOM 55169 O3* G B2569 1.690 -7.789 54.291 1.00 0.00 O ATOM 55170 C2* G B2569 1.612 -9.685 52.768 1.00 0.00 C ATOM 55171 O2* G B2569 0.628 -10.233 53.631 1.00 0.00 O ATOM 55172 C1* G B2569 1.059 -9.784 51.349 1.00 0.00 C ATOM 55173 N9 G B2569 2.112 -9.940 50.308 1.00 0.00 N ATOM 55174 C8 G B2569 2.580 -9.018 49.396 1.00 0.00 C ATOM 55175 N7 G B2569 3.523 -9.478 48.607 1.00 0.00 N ATOM 55176 C5 G B2569 3.690 -10.798 49.026 1.00 0.00 C ATOM 55177 C6 G B2569 4.574 -11.801 48.550 1.00 0.00 C ATOM 55178 O6 G B2569 5.400 -11.736 47.644 1.00 0.00 O ATOM 55179 N1 G B2569 4.414 -13.001 49.260 1.00 0.00 N ATOM 55180 C2 G B2569 3.520 -13.203 50.297 1.00 0.00 C ATOM 55181 N2 G B2569 3.526 -14.419 50.842 1.00 0.00 N ATOM 55182 N3 G B2569 2.694 -12.259 50.743 1.00 0.00 N ATOM 55183 C4 G B2569 2.836 -11.088 50.062 1.00 0.00 C ATOM 55184 P G B2570 3.106 -7.446 55.031 1.00 0.00 P ATOM 55185 O1P G B2570 2.859 -6.724 56.299 1.00 0.00 O ATOM 55186 O2P G B2570 4.011 -6.775 54.073 1.00 0.00 O ATOM 55187 O5* G B2570 3.646 -8.921 55.344 1.00 0.00 O ATOM 55188 C5* G B2570 2.865 -9.785 56.192 1.00 0.00 C ATOM 55189 C4* G B2570 3.495 -11.162 56.249 1.00 0.00 C ATOM 55190 O4* G B2570 3.378 -11.789 54.939 1.00 0.00 O ATOM 55191 C3* G B2570 4.992 -11.194 56.543 1.00 0.00 C ATOM 55192 O3* G B2570 5.250 -11.133 57.911 1.00 0.00 O ATOM 55193 C2* G B2570 5.412 -12.528 55.923 1.00 0.00 C ATOM 55194 O2* G B2570 5.020 -13.610 56.754 1.00 0.00 O ATOM 55195 C1* G B2570 4.528 -12.580 54.683 1.00 0.00 C ATOM 55196 N9 G B2570 5.187 -12.050 53.455 1.00 0.00 N ATOM 55197 C8 G B2570 4.972 -10.854 52.800 1.00 0.00 C ATOM 55198 N7 G B2570 5.725 -10.688 51.739 1.00 0.00 N ATOM 55199 C5 G B2570 6.492 -11.853 51.688 1.00 0.00 C ATOM 55200 C6 G B2570 7.487 -12.249 50.761 1.00 0.00 C ATOM 55201 O6 G B2570 7.908 -11.651 49.778 1.00 0.00 O ATOM 55202 N1 G B2570 8.014 -13.510 51.085 1.00 0.00 N ATOM 55203 C2 G B2570 7.625 -14.284 52.161 1.00 0.00 C ATOM 55204 N2 G B2570 8.248 -15.456 52.297 1.00 0.00 N ATOM 55205 N3 G B2570 6.692 -13.907 53.030 1.00 0.00 N ATOM 55206 C4 G B2570 6.169 -12.691 52.733 1.00 0.00 C ATOM 55207 P U B2571 6.592 -10.356 58.425 1.00 0.00 P ATOM 55208 O1P U B2571 6.498 -10.082 59.876 1.00 0.00 O ATOM 55209 O2P U B2571 6.838 -9.182 57.562 1.00 0.00 O ATOM 55210 O5* U B2571 7.706 -11.473 58.156 1.00 0.00 O ATOM 55211 C5* U B2571 7.604 -12.740 58.831 1.00 0.00 C ATOM 55212 C4* U B2571 8.682 -13.681 58.336 1.00 0.00 C ATOM 55213 O4* U B2571 8.410 -14.022 56.946 1.00 0.00 O ATOM 55214 C3* U B2571 10.100 -13.107 58.304 1.00 0.00 C ATOM 55215 O3* U B2571 10.724 -13.209 59.542 1.00 0.00 O ATOM 55216 C2* U B2571 10.768 -13.970 57.232 1.00 0.00 C ATOM 55217 O2* U B2571 11.084 -15.253 57.747 1.00 0.00 O ATOM 55218 C1* U B2571 9.630 -14.159 56.236 1.00 0.00 C ATOM 55219 N1 U B2571 9.631 -13.164 55.130 1.00 0.00 N ATOM 55220 C2 U B2571 10.587 -13.314 54.153 1.00 0.00 C ATOM 55221 O2 U B2571 11.411 -14.214 54.164 1.00 0.00 O ATOM 55222 N3 U B2571 10.557 -12.372 53.144 1.00 0.00 N ATOM 55223 C4 U B2571 9.674 -11.318 53.032 1.00 0.00 C ATOM 55224 O4 U B2571 9.746 -10.537 52.080 1.00 0.00 O ATOM 55225 C5 U B2571 8.709 -11.242 54.103 1.00 0.00 C ATOM 55226 C6 U B2571 8.718 -12.145 55.100 1.00 0.00 C ATOM 55227 P A B2572 12.575 -13.601 59.639 1.00 0.00 P ATOM 55228 O1P A B2572 13.198 -13.536 58.297 1.00 0.00 O ATOM 55229 O2P A B2572 12.762 -14.871 60.374 1.00 0.00 O ATOM 55230 O5* A B2572 13.276 -12.239 60.680 1.00 0.00 O ATOM 55231 C5* A B2572 14.503 -12.242 61.497 1.00 0.00 C ATOM 55232 C4* A B2572 15.929 -12.086 60.695 1.00 0.00 C ATOM 55233 O4* A B2572 15.785 -12.117 59.248 1.00 0.00 O ATOM 55234 C3* A B2572 16.878 -10.907 60.944 1.00 0.00 C ATOM 55235 O3* A B2572 17.517 -10.793 62.326 1.00 0.00 O ATOM 55236 C2* A B2572 17.821 -11.004 59.754 1.00 0.00 C ATOM 55237 O2* A B2572 18.759 -12.050 59.936 1.00 0.00 O ATOM 55238 C1* A B2572 16.873 -11.439 58.641 1.00 0.00 C ATOM 55239 N9 A B2572 16.261 -10.183 57.712 1.00 0.00 N ATOM 55240 C8 A B2572 14.969 -9.992 57.278 1.00 0.00 C ATOM 55241 N7 A B2572 14.832 -9.003 56.447 1.00 0.00 N ATOM 55242 C5 A B2572 16.121 -8.498 56.311 1.00 0.00 C ATOM 55243 C6 A B2572 16.650 -7.434 55.568 1.00 0.00 C ATOM 55244 N6 A B2572 15.905 -6.649 54.769 1.00 0.00 N ATOM 55245 N1 A B2572 17.972 -7.206 55.662 1.00 0.00 N ATOM 55246 C2 A B2572 18.701 -7.985 56.456 1.00 0.00 C ATOM 55247 N3 A B2572 18.321 -9.004 57.196 1.00 0.00 N ATOM 55248 C4 A B2572 16.993 -9.213 57.083 1.00 0.00 C ATOM 55249 P C B2573 18.269 -9.168 62.728 1.00 0.00 P ATOM 55250 O1P C B2573 19.620 -9.016 62.144 1.00 0.00 O ATOM 55251 O2P C B2573 18.160 -8.916 64.182 1.00 0.00 O ATOM 55252 O5* C B2573 17.047 -8.209 61.769 1.00 0.00 O ATOM 55253 C5* C B2573 16.767 -6.988 61.048 1.00 0.00 C ATOM 55254 C4* C B2573 15.422 -6.228 61.534 1.00 0.00 C ATOM 55255 O4* C B2573 14.927 -6.241 62.901 1.00 0.00 O ATOM 55256 C3* C B2573 14.359 -5.444 60.762 1.00 0.00 C ATOM 55257 O3* C B2573 14.535 -4.198 59.841 1.00 0.00 O ATOM 55258 C2* C B2573 13.076 -5.885 61.460 1.00 0.00 C ATOM 55259 O2* C B2573 12.701 -7.186 61.043 1.00 0.00 O ATOM 55260 C1* C B2573 13.530 -5.991 62.910 1.00 0.00 C ATOM 55261 N1 C B2573 13.239 -4.593 63.852 1.00 0.00 N ATOM 55262 C2 C B2573 11.917 -4.265 64.139 1.00 0.00 C ATOM 55263 O2 C B2573 11.016 -4.994 63.709 1.00 0.00 O ATOM 55264 N3 C B2573 11.666 -3.154 64.878 1.00 0.00 N ATOM 55265 C4 C B2573 12.670 -2.389 65.326 1.00 0.00 C ATOM 55266 N4 C B2573 12.370 -1.319 66.046 1.00 0.00 N ATOM 55267 C5 C B2573 14.038 -2.709 65.046 1.00 0.00 C ATOM 55268 C6 C B2573 14.268 -3.820 64.303 1.00 0.00 C ATOM 55269 P G B2574 13.638 -2.648 60.305 1.00 0.00 P ATOM 55270 O1P G B2574 14.363 -1.964 61.398 1.00 0.00 O ATOM 55271 O2P G B2574 12.204 -2.909 60.553 1.00 0.00 O ATOM 55272 O5* G B2574 13.840 -1.715 58.732 1.00 0.00 O ATOM 55273 C5* G B2574 13.547 -0.484 57.995 1.00 0.00 C ATOM 55274 C4* G B2574 12.350 0.443 58.614 1.00 0.00 C ATOM 55275 O4* G B2574 12.111 0.288 60.042 1.00 0.00 O ATOM 55276 C3* G B2574 12.068 1.927 58.357 1.00 0.00 C ATOM 55277 O3* G B2574 11.779 2.274 56.842 1.00 0.00 O ATOM 55278 C2* G B2574 10.915 2.208 59.318 1.00 0.00 C ATOM 55279 O2* G B2574 9.699 1.682 58.807 1.00 0.00 O ATOM 55280 C1* G B2574 11.295 1.346 60.516 1.00 0.00 C ATOM 55281 N9 G B2574 12.163 2.190 61.774 1.00 0.00 N ATOM 55282 C8 G B2574 11.753 3.250 62.552 1.00 0.00 C ATOM 55283 N7 G B2574 12.586 3.560 63.519 1.00 0.00 N ATOM 55284 C5 G B2574 13.622 2.637 63.372 1.00 0.00 C ATOM 55285 C6 G B2574 14.807 2.472 64.126 1.00 0.00 C ATOM 55286 O6 G B2574 15.202 3.117 65.096 1.00 0.00 O ATOM 55287 N1 G B2574 15.583 1.412 63.636 1.00 0.00 N ATOM 55288 C2 G B2574 15.253 0.614 62.559 1.00 0.00 C ATOM 55289 N2 G B2574 16.125 -0.346 62.249 1.00 0.00 N ATOM 55290 N3 G B2574 14.134 0.773 61.852 1.00 0.00 N ATOM 55291 C4 G B2574 13.373 1.796 62.315 1.00 0.00 C ATOM 55292 P C B2575 10.990 3.885 56.358 1.00 0.00 P ATOM 55293 O1P C B2575 12.010 4.955 56.358 1.00 0.00 O ATOM 55294 O2P C B2575 9.780 4.148 57.168 1.00 0.00 O ATOM 55295 O5* C B2575 10.489 3.521 54.612 1.00 0.00 O ATOM 55296 C5* C B2575 10.405 3.983 53.211 1.00 0.00 C ATOM 55297 C4* C B2575 9.040 4.708 52.657 1.00 0.00 C ATOM 55298 O4* C B2575 8.288 5.199 53.804 1.00 0.00 O ATOM 55299 C3* C B2575 8.962 5.852 51.647 1.00 0.00 C ATOM 55300 O3* C B2575 9.056 5.826 50.079 1.00 0.00 O ATOM 55301 C2* C B2575 7.557 6.393 51.883 1.00 0.00 C ATOM 55302 O2* C B2575 6.584 5.547 51.293 1.00 0.00 O ATOM 55303 C1* C B2575 7.416 6.241 53.393 1.00 0.00 C ATOM 55304 N1 C B2575 7.791 7.620 54.273 1.00 0.00 N ATOM 55305 C2 C B2575 7.269 7.731 55.560 1.00 0.00 C ATOM 55306 O2 C B2575 6.551 6.819 55.987 1.00 0.00 O ATOM 55307 N3 C B2575 7.575 8.831 56.295 1.00 0.00 N ATOM 55308 C4 C B2575 8.358 9.791 55.791 1.00 0.00 C ATOM 55309 N4 C B2575 8.621 10.848 56.552 1.00 0.00 N ATOM 55310 C5 C B2575 8.900 9.699 54.471 1.00 0.00 C ATOM 55311 C6 C B2575 8.585 8.593 53.751 1.00 0.00 C ATOM 55312 P G B2576 10.224 5.160 48.809 1.00 0.00 P ATOM 55313 O1P G B2576 11.431 5.988 48.587 1.00 0.00 O ATOM 55314 O2P G B2576 9.435 4.836 47.599 1.00 0.00 O ATOM 55315 O5* G B2576 10.625 3.812 49.574 1.00 0.00 O ATOM 55316 C5* G B2576 9.765 3.316 50.615 1.00 0.00 C ATOM 55317 C4* G B2576 10.268 1.975 51.110 1.00 0.00 C ATOM 55318 O4* G B2576 10.102 0.991 50.048 1.00 0.00 O ATOM 55319 C3* G B2576 11.758 1.907 51.445 1.00 0.00 C ATOM 55320 O3* G B2576 12.013 2.362 52.737 1.00 0.00 O ATOM 55321 C2* G B2576 12.055 0.417 51.275 1.00 0.00 C ATOM 55322 O2* G B2576 11.567 -0.323 52.379 1.00 0.00 O ATOM 55323 C1* G B2576 11.175 0.062 50.081 1.00 0.00 C ATOM 55324 N9 G B2576 11.885 0.138 48.774 1.00 0.00 N ATOM 55325 C8 G B2576 11.782 1.086 47.779 1.00 0.00 C ATOM 55326 N7 G B2576 12.549 0.858 46.741 1.00 0.00 N ATOM 55327 C5 G B2576 13.208 -0.328 47.071 1.00 0.00 C ATOM 55328 C6 G B2576 14.167 -1.074 46.341 1.00 0.00 C ATOM 55329 O6 G B2576 14.646 -0.840 45.234 1.00 0.00 O ATOM 55330 N1 G B2576 14.576 -2.214 47.045 1.00 0.00 N ATOM 55331 C2 G B2576 14.116 -2.585 48.295 1.00 0.00 C ATOM 55332 N2 G B2576 14.629 -3.709 48.799 1.00 0.00 N ATOM 55333 N3 G B2576 13.216 -1.884 48.978 1.00 0.00 N ATOM 55334 C4 G B2576 12.808 -0.775 48.308 1.00 0.00 C ATOM 55335 P A B2577 13.418 3.141 53.031 1.00 0.00 P ATOM 55336 O1P A B2577 13.345 3.854 54.329 1.00 0.00 O ATOM 55337 O2P A B2577 13.775 3.972 51.860 1.00 0.00 O ATOM 55338 O5* A B2577 14.430 1.905 53.150 1.00 0.00 O ATOM 55339 C5* A B2577 14.208 0.920 54.174 1.00 0.00 C ATOM 55340 C4* A B2577 15.202 -0.216 54.022 1.00 0.00 C ATOM 55341 O4* A B2577 14.904 -0.941 52.796 1.00 0.00 O ATOM 55342 C3* A B2577 16.666 0.197 53.861 1.00 0.00 C ATOM 55343 O3* A B2577 17.271 0.425 55.093 1.00 0.00 O ATOM 55344 C2* A B2577 17.257 -1.005 53.125 1.00 0.00 C ATOM 55345 O2* A B2577 17.452 -2.091 54.016 1.00 0.00 O ATOM 55346 C1* A B2577 16.108 -1.394 52.200 1.00 0.00 C ATOM 55347 N9 A B2577 16.204 -0.787 50.842 1.00 0.00 N ATOM 55348 C8 A B2577 15.474 0.248 50.300 1.00 0.00 C ATOM 55349 N7 A B2577 15.803 0.544 49.081 1.00 0.00 N ATOM 55350 C5 A B2577 16.822 -0.350 48.782 1.00 0.00 C ATOM 55351 C6 A B2577 17.601 -0.549 47.630 1.00 0.00 C ATOM 55352 N6 A B2577 17.462 0.174 46.511 1.00 0.00 N ATOM 55353 N1 A B2577 18.528 -1.524 47.669 1.00 0.00 N ATOM 55354 C2 A B2577 18.661 -2.239 48.784 1.00 0.00 C ATOM 55355 N3 A B2577 17.996 -2.144 49.917 1.00 0.00 N ATOM 55356 C4 A B2577 17.074 -1.164 49.851 1.00 0.00 C ATOM 55357 P G B2578 18.417 1.584 55.202 1.00 0.00 P ATOM 55358 O1P G B2578 18.668 1.926 56.621 1.00 0.00 O ATOM 55359 O2P G B2578 18.054 2.718 54.322 1.00 0.00 O ATOM 55360 O5* G B2578 19.682 0.813 54.597 1.00 0.00 O ATOM 55361 C5* G B2578 20.151 -0.379 55.253 1.00 0.00 C ATOM 55362 C4* G B2578 21.271 -1.008 54.448 1.00 0.00 C ATOM 55363 O4* G B2578 20.722 -1.511 53.197 1.00 0.00 O ATOM 55364 C3* G B2578 22.386 -0.062 54.008 1.00 0.00 C ATOM 55365 O3* G B2578 23.342 0.105 55.007 1.00 0.00 O ATOM 55366 C2* G B2578 22.942 -0.775 52.774 1.00 0.00 C ATOM 55367 O2* G B2578 23.751 -1.875 53.154 1.00 0.00 O ATOM 55368 C1* G B2578 21.672 -1.351 52.154 1.00 0.00 C ATOM 55369 N9 G B2578 21.066 -0.477 51.111 1.00 0.00 N ATOM 55370 C8 G B2578 19.937 0.308 51.184 1.00 0.00 C ATOM 55371 N7 G B2578 19.671 0.964 50.077 1.00 0.00 N ATOM 55372 C5 G B2578 20.700 0.588 49.216 1.00 0.00 C ATOM 55373 C6 G B2578 20.952 0.972 47.874 1.00 0.00 C ATOM 55374 O6 G B2578 20.309 1.735 47.156 1.00 0.00 O ATOM 55375 N1 G B2578 22.106 0.352 47.373 1.00 0.00 N ATOM 55376 C2 G B2578 22.910 -0.520 48.078 1.00 0.00 C ATOM 55377 N2 G B2578 23.968 -1.005 47.419 1.00 0.00 N ATOM 55378 N3 G B2578 22.672 -0.880 49.337 1.00 0.00 N ATOM 55379 C4 G B2578 21.556 -0.289 49.836 1.00 0.00 C ATOM 55380 P C B2579 24.086 1.549 55.152 1.00 0.00 P ATOM 55381 O1P C B2579 24.766 1.649 56.460 1.00 0.00 O ATOM 55382 O2P C B2579 23.119 2.632 54.847 1.00 0.00 O ATOM 55383 O5* C B2579 25.170 1.447 53.981 1.00 0.00 O ATOM 55384 C5* C B2579 26.156 0.401 54.034 1.00 0.00 C ATOM 55385 C4* C B2579 26.996 0.415 52.773 1.00 0.00 C ATOM 55386 O4* C B2579 26.159 0.025 51.645 1.00 0.00 O ATOM 55387 C3* C B2579 27.556 1.776 52.361 1.00 0.00 C ATOM 55388 O3* C B2579 28.745 2.064 53.031 1.00 0.00 O ATOM 55389 C2* C B2579 27.757 1.600 50.858 1.00 0.00 C ATOM 55390 O2* C B2579 28.911 0.822 50.592 1.00 0.00 O ATOM 55391 C1* C B2579 26.549 0.745 50.485 1.00 0.00 C ATOM 55392 N1 C B2579 25.376 1.537 50.021 1.00 0.00 N ATOM 55393 C2 C B2579 25.432 2.097 48.746 1.00 0.00 C ATOM 55394 O2 C B2579 26.445 1.913 48.062 1.00 0.00 O ATOM 55395 N3 C B2579 24.374 2.822 48.304 1.00 0.00 N ATOM 55396 C4 C B2579 23.295 2.997 49.080 1.00 0.00 C ATOM 55397 N4 C B2579 22.289 3.711 48.601 1.00 0.00 N ATOM 55398 C5 C B2579 23.216 2.429 50.392 1.00 0.00 C ATOM 55399 C6 C B2579 24.286 1.707 50.814 1.00 0.00 C ATOM 55400 P U B2580 29.070 3.616 53.419 1.00 0.00 P ATOM 55401 O1P U B2580 30.157 3.674 54.424 1.00 0.00 O ATOM 55402 O2P U B2580 27.813 4.305 53.789 1.00 0.00 O ATOM 55403 O5* U B2580 29.598 4.172 52.016 1.00 0.00 O ATOM 55404 C5* U B2580 30.767 3.574 51.425 1.00 0.00 C ATOM 55405 C4* U B2580 31.014 4.167 50.050 1.00 0.00 C ATOM 55406 O4* U B2580 29.942 3.749 49.160 1.00 0.00 O ATOM 55407 C3* U B2580 30.986 5.694 49.970 1.00 0.00 C ATOM 55408 O3* U B2580 32.218 6.248 50.314 1.00 0.00 O ATOM 55409 C2* U B2580 30.623 5.930 48.505 1.00 0.00 C ATOM 55410 O2* U B2580 31.744 5.705 47.665 1.00 0.00 O ATOM 55411 C1* U B2580 29.642 4.791 48.244 1.00 0.00 C ATOM 55412 N1 U B2580 28.214 5.175 48.435 1.00 0.00 N ATOM 55413 C2 U B2580 27.643 5.964 47.471 1.00 0.00 C ATOM 55414 O2 U B2580 28.249 6.352 46.481 1.00 0.00 O ATOM 55415 N3 U B2580 26.319 6.300 47.682 1.00 0.00 N ATOM 55416 C4 U B2580 25.541 5.922 48.756 1.00 0.00 C ATOM 55417 O4 U B2580 24.366 6.286 48.840 1.00 0.00 O ATOM 55418 C5 U B2580 26.232 5.099 49.721 1.00 0.00 C ATOM 55419 C6 U B2580 27.517 4.755 49.539 1.00 0.00 C ATOM 55420 P G B2581 32.244 7.689 51.080 1.00 0.00 P ATOM 55421 O1P G B2581 33.577 7.926 51.679 1.00 0.00 O ATOM 55422 O2P G B2581 31.095 7.771 52.011 1.00 0.00 O ATOM 55423 O5* G B2581 32.015 8.689 49.852 1.00 0.00 O ATOM 55424 C5* G B2581 32.974 8.701 48.777 1.00 0.00 C ATOM 55425 C4* G B2581 32.497 9.623 47.672 1.00 0.00 C ATOM 55426 O4* G B2581 31.315 9.040 47.048 1.00 0.00 O ATOM 55427 C3* G B2581 32.033 11.011 48.115 1.00 0.00 C ATOM 55428 O3* G B2581 33.106 11.890 48.241 1.00 0.00 O ATOM 55429 C2* G B2581 31.080 11.404 46.988 1.00 0.00 C ATOM 55430 O2* G B2581 31.804 11.792 45.829 1.00 0.00 O ATOM 55431 C1* G B2581 30.418 10.070 46.668 1.00 0.00 C ATOM 55432 N9 G B2581 29.131 9.852 47.386 1.00 0.00 N ATOM 55433 C8 G B2581 28.865 9.024 48.457 1.00 0.00 C ATOM 55434 N7 G B2581 27.617 9.064 48.862 1.00 0.00 N ATOM 55435 C5 G B2581 27.017 9.984 48.002 1.00 0.00 C ATOM 55436 C6 G B2581 25.678 10.444 47.946 1.00 0.00 C ATOM 55437 O6 G B2581 24.727 10.134 48.659 1.00 0.00 O ATOM 55438 N1 G B2581 25.498 11.378 46.918 1.00 0.00 N ATOM 55439 C2 G B2581 26.486 11.809 46.053 1.00 0.00 C ATOM 55440 N2 G B2581 26.114 12.706 45.136 1.00 0.00 N ATOM 55441 N3 G B2581 27.744 11.378 46.105 1.00 0.00 N ATOM 55442 C4 G B2581 27.934 10.468 47.098 1.00 0.00 C ATOM 55443 P G B2582 33.044 13.039 49.402 1.00 0.00 P ATOM 55444 O1P G B2582 34.389 13.618 49.620 1.00 0.00 O ATOM 55445 O2P G B2582 32.374 12.494 50.602 1.00 0.00 O ATOM 55446 O5* G B2582 32.098 14.123 48.698 1.00 0.00 O ATOM 55447 C5* G B2582 32.520 14.719 47.457 1.00 0.00 C ATOM 55448 C4* G B2582 31.426 15.613 46.912 1.00 0.00 C ATOM 55449 O4* G B2582 30.296 14.786 46.512 1.00 0.00 O ATOM 55450 C3* G B2582 30.818 16.607 47.906 1.00 0.00 C ATOM 55451 O3* G B2582 31.581 17.772 47.994 1.00 0.00 O ATOM 55452 C2* G B2582 29.435 16.853 47.308 1.00 0.00 C ATOM 55453 O2* G B2582 29.517 17.719 46.189 1.00 0.00 O ATOM 55454 C1* G B2582 29.081 15.469 46.773 1.00 0.00 C ATOM 55455 N9 G B2582 28.288 14.645 47.729 1.00 0.00 N ATOM 55456 C8 G B2582 28.688 13.567 48.491 1.00 0.00 C ATOM 55457 N7 G B2582 27.736 13.059 49.236 1.00 0.00 N ATOM 55458 C5 G B2582 26.625 13.856 48.949 1.00 0.00 C ATOM 55459 C6 G B2582 25.303 13.790 49.448 1.00 0.00 C ATOM 55460 O6 G B2582 24.824 13.008 50.263 1.00 0.00 O ATOM 55461 N1 G B2582 24.495 14.792 48.887 1.00 0.00 N ATOM 55462 C2 G B2582 24.912 15.731 47.964 1.00 0.00 C ATOM 55463 N2 G B2582 23.990 16.601 47.549 1.00 0.00 N ATOM 55464 N3 G B2582 26.158 15.789 47.494 1.00 0.00 N ATOM 55465 C4 G B2582 26.955 14.823 48.028 1.00 0.00 C ATOM 55466 P G B2583 31.630 19.276 46.960 1.00 0.00 P ATOM 55467 O1P G B2583 32.766 20.135 47.376 1.00 0.00 O ATOM 55468 O2P G B2583 30.315 19.943 46.886 1.00 0.00 O ATOM 55469 O5* G B2583 32.040 18.296 45.474 1.00 0.00 O ATOM 55470 C5* G B2583 31.840 17.726 44.155 1.00 0.00 C ATOM 55471 C4* G B2583 32.758 16.471 43.655 1.00 0.00 C ATOM 55472 O4* G B2583 34.135 16.294 44.102 1.00 0.00 O ATOM 55473 C3* G B2583 32.263 15.048 43.414 1.00 0.00 C ATOM 55474 O3* G B2583 31.023 14.998 42.509 1.00 0.00 O ATOM 55475 C2* G B2583 33.518 14.360 42.871 1.00 0.00 C ATOM 55476 O2* G B2583 33.741 14.724 41.519 1.00 0.00 O ATOM 55477 C1* G B2583 34.612 15.027 43.696 1.00 0.00 C ATOM 55478 N9 G B2583 35.092 14.142 45.115 1.00 0.00 N ATOM 55479 C8 G B2583 34.458 14.047 46.338 1.00 0.00 C ATOM 55480 N7 G B2583 35.162 13.450 47.264 1.00 0.00 N ATOM 55481 C5 G B2583 36.350 13.122 46.613 1.00 0.00 C ATOM 55482 C6 G B2583 37.506 12.453 47.099 1.00 0.00 C ATOM 55483 O6 G B2583 37.725 12.011 48.222 1.00 0.00 O ATOM 55484 N1 G B2583 38.483 12.324 46.096 1.00 0.00 N ATOM 55485 C2 G B2583 38.355 12.779 44.801 1.00 0.00 C ATOM 55486 N2 G B2583 39.400 12.555 43.999 1.00 0.00 N ATOM 55487 N3 G B2583 37.274 13.400 44.347 1.00 0.00 N ATOM 55488 C4 G B2583 36.315 13.537 45.304 1.00 0.00 C ATOM 55489 P U B2584 29.902 13.581 42.733 1.00 0.00 P ATOM 55490 O1P U B2584 28.645 13.984 43.410 1.00 0.00 O ATOM 55491 O2P U B2584 30.576 12.388 43.291 1.00 0.00 O ATOM 55492 O5* U B2584 29.717 13.452 40.931 1.00 0.00 O ATOM 55493 C5* U B2584 30.184 12.863 39.711 1.00 0.00 C ATOM 55494 C4* U B2584 29.292 11.593 39.239 1.00 0.00 C ATOM 55495 O4* U B2584 27.842 11.711 39.334 1.00 0.00 O ATOM 55496 C3* U B2584 29.511 10.821 37.945 1.00 0.00 C ATOM 55497 O3* U B2584 30.843 10.497 37.289 1.00 0.00 O ATOM 55498 C2* U B2584 28.331 9.848 37.940 1.00 0.00 C ATOM 55499 O2* U B2584 28.550 8.785 38.850 1.00 0.00 O ATOM 55500 C1* U B2584 27.225 10.720 38.535 1.00 0.00 C ATOM 55501 N1 U B2584 26.240 11.495 37.387 1.00 0.00 N ATOM 55502 C2 U B2584 25.302 10.721 36.742 1.00 0.00 C ATOM 55503 O2 U B2584 25.194 9.520 36.924 1.00 0.00 O ATOM 55504 N3 U B2584 24.479 11.397 35.863 1.00 0.00 N ATOM 55505 C4 U B2584 24.512 12.745 35.581 1.00 0.00 C ATOM 55506 O4 U B2584 23.722 13.237 34.771 1.00 0.00 O ATOM 55507 C5 U B2584 25.529 13.476 36.305 1.00 0.00 C ATOM 55508 C6 U B2584 26.343 12.841 37.169 1.00 0.00 C ATOM 55509 P U B2585 30.693 10.173 35.487 1.00 0.00 P ATOM 55510 O1P U B2585 30.979 11.370 34.666 1.00 0.00 O ATOM 55511 O2P U B2585 29.436 9.459 35.172 1.00 0.00 O ATOM 55512 O5* U B2585 32.100 9.020 35.528 1.00 0.00 O ATOM 55513 C5* U B2585 32.800 8.218 34.568 1.00 0.00 C ATOM 55514 C4* U B2585 32.022 6.887 34.084 1.00 0.00 C ATOM 55515 O4* U B2585 31.805 5.747 34.968 1.00 0.00 O ATOM 55516 C3* U B2585 30.934 6.741 33.023 1.00 0.00 C ATOM 55517 O3* U B2585 31.083 7.560 31.743 1.00 0.00 O ATOM 55518 C2* U B2585 30.849 5.222 32.857 1.00 0.00 C ATOM 55519 O2* U B2585 31.940 4.736 32.094 1.00 0.00 O ATOM 55520 C1* U B2585 31.063 4.746 34.291 1.00 0.00 C ATOM 55521 N1 U B2585 29.652 4.462 35.151 1.00 0.00 N ATOM 55522 C2 U B2585 28.647 3.791 34.499 1.00 0.00 C ATOM 55523 O2 U B2585 28.720 3.471 33.324 1.00 0.00 O ATOM 55524 N3 U B2585 27.534 3.499 35.259 1.00 0.00 N ATOM 55525 C4 U B2585 27.349 3.812 36.591 1.00 0.00 C ATOM 55526 O4 U B2585 26.302 3.494 37.169 1.00 0.00 O ATOM 55527 C5 U B2585 28.456 4.515 37.191 1.00 0.00 C ATOM 55528 C6 U B2585 29.551 4.815 36.473 1.00 0.00 C ATOM 55529 P U B2586 29.584 7.636 30.706 1.00 0.00 P ATOM 55530 O1P U B2586 28.397 8.060 31.486 1.00 0.00 O ATOM 55531 O2P U B2586 29.399 6.432 29.869 1.00 0.00 O ATOM 55532 O5* U B2586 30.319 9.013 29.780 1.00 0.00 O ATOM 55533 C5* U B2586 30.657 10.398 29.952 1.00 0.00 C ATOM 55534 C4* U B2586 29.350 11.354 30.090 1.00 0.00 C ATOM 55535 O4* U B2586 28.116 10.876 29.484 1.00 0.00 O ATOM 55536 C3* U B2586 28.893 11.987 31.407 1.00 0.00 C ATOM 55537 O3* U B2586 29.997 12.946 31.943 1.00 0.00 O ATOM 55538 C2* U B2586 27.553 12.605 31.011 1.00 0.00 C ATOM 55539 O2* U B2586 27.747 13.800 30.273 1.00 0.00 O ATOM 55540 C1* U B2586 27.008 11.565 30.038 1.00 0.00 C ATOM 55541 N1 U B2586 25.965 10.423 30.735 1.00 0.00 N ATOM 55542 C2 U B2586 24.915 10.910 31.473 1.00 0.00 C ATOM 55543 O2 U B2586 24.752 12.095 31.691 1.00 0.00 O ATOM 55544 N3 U B2586 24.045 9.954 31.962 1.00 0.00 N ATOM 55545 C4 U B2586 24.138 8.589 31.779 1.00 0.00 C ATOM 55546 O4 U B2586 23.297 7.830 32.265 1.00 0.00 O ATOM 55547 C5 U B2586 25.274 8.176 30.987 1.00 0.00 C ATOM 55548 C6 U B2586 26.139 9.082 30.503 1.00 0.00 C ATOM 55549 P A B2587 29.570 14.603 32.624 1.00 0.00 P ATOM 55550 O1P A B2587 30.112 14.703 33.996 1.00 0.00 O ATOM 55551 O2P A B2587 28.138 14.939 32.469 1.00 0.00 O ATOM 55552 O5* A B2587 30.562 15.583 31.424 1.00 0.00 O ATOM 55553 C5* A B2587 30.929 16.844 30.773 1.00 0.00 C ATOM 55554 C4* A B2587 32.271 17.571 31.395 1.00 0.00 C ATOM 55555 O4* A B2587 32.772 16.797 32.523 1.00 0.00 O ATOM 55556 C3* A B2587 33.527 17.907 30.591 1.00 0.00 C ATOM 55557 O3* A B2587 33.632 18.638 29.252 1.00 0.00 O ATOM 55558 C2* A B2587 34.560 18.122 31.699 1.00 0.00 C ATOM 55559 O2* A B2587 34.377 19.383 32.319 1.00 0.00 O ATOM 55560 C1* A B2587 34.150 17.062 32.712 1.00 0.00 C ATOM 55561 N9 A B2587 34.983 15.620 32.585 1.00 0.00 N ATOM 55562 C8 A B2587 34.634 14.386 33.085 1.00 0.00 C ATOM 55563 N7 A B2587 35.384 13.416 32.660 1.00 0.00 N ATOM 55564 C5 A B2587 36.294 14.039 31.821 1.00 0.00 C ATOM 55565 C6 A B2587 37.363 13.544 31.052 1.00 0.00 C ATOM 55566 N6 A B2587 37.709 12.250 31.008 1.00 0.00 N ATOM 55567 N1 A B2587 38.067 14.437 30.330 1.00 0.00 N ATOM 55568 C2 A B2587 37.716 15.720 30.374 1.00 0.00 C ATOM 55569 N3 A B2587 36.743 16.293 31.052 1.00 0.00 N ATOM 55570 C4 A B2587 36.056 15.380 31.768 1.00 0.00 C ATOM 55571 P G B2588 35.267 18.744 28.395 1.00 0.00 P ATOM 55572 O1P G B2588 36.420 18.151 29.105 1.00 0.00 O ATOM 55573 O2P G B2588 35.446 20.133 27.917 1.00 0.00 O ATOM 55574 O5* G B2588 34.836 17.802 27.176 1.00 0.00 O ATOM 55575 C5* G B2588 35.863 17.128 26.421 1.00 0.00 C ATOM 55576 C4* G B2588 35.229 16.200 25.401 1.00 0.00 C ATOM 55577 O4* G B2588 34.568 15.109 26.104 1.00 0.00 O ATOM 55578 C3* G B2588 34.122 16.810 24.540 1.00 0.00 C ATOM 55579 O3* G B2588 34.644 17.491 23.443 1.00 0.00 O ATOM 55580 C2* G B2588 33.315 15.578 24.142 1.00 0.00 C ATOM 55581 O2* G B2588 33.978 14.850 23.121 1.00 0.00 O ATOM 55582 C1* G B2588 33.390 14.737 25.408 1.00 0.00 C ATOM 55583 N9 G B2588 32.231 14.933 26.328 1.00 0.00 N ATOM 55584 C8 G B2588 32.177 15.614 27.524 1.00 0.00 C ATOM 55585 N7 G B2588 30.996 15.600 28.092 1.00 0.00 N ATOM 55586 C5 G B2588 30.213 14.858 27.210 1.00 0.00 C ATOM 55587 C6 G B2588 28.842 14.503 27.283 1.00 0.00 C ATOM 55588 O6 G B2588 28.020 14.770 28.155 1.00 0.00 O ATOM 55589 N1 G B2588 28.447 13.741 26.173 1.00 0.00 N ATOM 55590 C2 G B2588 29.276 13.373 25.125 1.00 0.00 C ATOM 55591 N2 G B2588 28.710 12.646 24.161 1.00 0.00 N ATOM 55592 N3 G B2588 30.562 13.710 25.059 1.00 0.00 N ATOM 55593 C4 G B2588 30.957 14.448 26.130 1.00 0.00 C ATOM 55594 P A B2589 33.868 18.823 22.905 1.00 0.00 P ATOM 55595 O1P A B2589 34.747 19.596 21.999 1.00 0.00 O ATOM 55596 O2P A B2589 33.314 19.566 24.054 1.00 0.00 O ATOM 55597 O5* A B2589 32.680 18.157 22.064 1.00 0.00 O ATOM 55598 C5* A B2589 33.003 17.309 20.947 1.00 0.00 C ATOM 55599 C4* A B2589 31.742 16.691 20.381 1.00 0.00 C ATOM 55600 O4* A B2589 31.197 15.755 21.356 1.00 0.00 O ATOM 55601 C3* A B2589 30.588 17.660 20.115 1.00 0.00 C ATOM 55602 O3* A B2589 30.715 18.279 18.875 1.00 0.00 O ATOM 55603 C2* A B2589 29.374 16.740 20.189 1.00 0.00 C ATOM 55604 O2* A B2589 29.256 15.962 19.012 1.00 0.00 O ATOM 55605 C1* A B2589 29.779 15.786 21.309 1.00 0.00 C ATOM 55606 N9 A B2589 29.282 16.197 22.653 1.00 0.00 N ATOM 55607 C8 A B2589 29.983 16.745 23.703 1.00 0.00 C ATOM 55608 N7 A B2589 29.253 16.993 24.749 1.00 0.00 N ATOM 55609 C5 A B2589 27.981 16.584 24.376 1.00 0.00 C ATOM 55610 C6 A B2589 26.747 16.586 25.049 1.00 0.00 C ATOM 55611 N6 A B2589 26.593 17.036 26.305 1.00 0.00 N ATOM 55612 N1 A B2589 25.679 16.109 24.385 1.00 0.00 N ATOM 55613 C2 A B2589 25.842 15.666 23.142 1.00 0.00 C ATOM 55614 N3 A B2589 26.937 15.615 22.414 1.00 0.00 N ATOM 55615 C4 A B2589 27.991 16.100 23.100 1.00 0.00 C ATOM 55616 P A B2590 30.194 19.816 18.706 1.00 0.00 P ATOM 55617 O1P A B2590 30.740 20.408 17.464 1.00 0.00 O ATOM 55618 O2P A B2590 30.465 20.565 19.951 1.00 0.00 O ATOM 55619 O5* A B2590 28.620 19.581 18.545 1.00 0.00 O ATOM 55620 C5* A B2590 28.137 18.794 17.443 1.00 0.00 C ATOM 55621 C4* A B2590 26.639 18.598 17.557 1.00 0.00 C ATOM 55622 O4* A B2590 26.361 17.755 18.713 1.00 0.00 O ATOM 55623 C3* A B2590 25.821 19.863 17.824 1.00 0.00 C ATOM 55624 O3* A B2590 25.538 20.544 16.643 1.00 0.00 O ATOM 55625 C2* A B2590 24.570 19.302 18.496 1.00 0.00 C ATOM 55626 O2* A B2590 23.711 18.705 17.540 1.00 0.00 O ATOM 55627 C1* A B2590 25.155 18.170 19.335 1.00 0.00 C ATOM 55628 N9 A B2590 25.470 18.565 20.735 1.00 0.00 N ATOM 55629 C8 A B2590 26.699 18.798 21.316 1.00 0.00 C ATOM 55630 N7 A B2590 26.636 19.130 22.568 1.00 0.00 N ATOM 55631 C5 A B2590 25.278 19.118 22.851 1.00 0.00 C ATOM 55632 C6 A B2590 24.549 19.387 24.020 1.00 0.00 C ATOM 55633 N6 A B2590 25.122 19.735 25.182 1.00 0.00 N ATOM 55634 N1 A B2590 23.209 19.284 23.954 1.00 0.00 N ATOM 55635 C2 A B2590 22.649 18.939 22.797 1.00 0.00 C ATOM 55636 N3 A B2590 23.222 18.668 21.645 1.00 0.00 N ATOM 55637 C4 A B2590 24.561 18.777 21.737 1.00 0.00 C ATOM 55638 P C B2591 25.458 22.174 16.674 1.00 0.00 P ATOM 55639 O1P C B2591 25.514 22.718 15.299 1.00 0.00 O ATOM 55640 O2P C B2591 26.470 22.698 17.617 1.00 0.00 O ATOM 55641 O5* C B2591 23.990 22.392 17.282 1.00 0.00 O ATOM 55642 C5* C B2591 22.857 21.875 16.565 1.00 0.00 C ATOM 55643 C4* C B2591 21.593 22.081 17.375 1.00 0.00 C ATOM 55644 O4* C B2591 21.650 21.235 18.559 1.00 0.00 O ATOM 55645 C3* C B2591 21.385 23.489 17.939 1.00 0.00 C ATOM 55646 O3* C B2591 20.797 24.335 17.002 1.00 0.00 O ATOM 55647 C2* C B2591 20.481 23.222 19.141 1.00 0.00 C ATOM 55648 O2* C B2591 19.149 22.976 18.722 1.00 0.00 O ATOM 55649 C1* C B2591 21.037 21.897 19.653 1.00 0.00 C ATOM 55650 N1 C B2591 22.059 22.052 20.726 1.00 0.00 N ATOM 55651 C2 C B2591 21.617 22.413 21.996 1.00 0.00 C ATOM 55652 O2 C B2591 20.407 22.591 22.177 1.00 0.00 O ATOM 55653 N3 C B2591 22.532 22.560 22.988 1.00 0.00 N ATOM 55654 C4 C B2591 23.837 22.361 22.750 1.00 0.00 C ATOM 55655 N4 C B2591 24.686 22.517 23.752 1.00 0.00 N ATOM 55656 C5 C B2591 24.308 21.987 21.450 1.00 0.00 C ATOM 55657 C6 C B2591 23.379 21.846 20.474 1.00 0.00 C ATOM 55658 P G B2592 21.491 25.801 16.006 1.00 0.00 P ATOM 55659 O1P G B2592 20.743 26.299 14.830 1.00 0.00 O ATOM 55660 O2P G B2592 22.964 25.770 15.870 1.00 0.00 O ATOM 55661 O5* G B2592 21.084 26.649 17.301 1.00 0.00 O ATOM 55662 C5* G B2592 19.699 26.734 17.673 1.00 0.00 C ATOM 55663 C4* G B2592 19.557 27.475 18.988 1.00 0.00 C ATOM 55664 O4* G B2592 20.133 26.661 20.052 1.00 0.00 O ATOM 55665 C3* G B2592 20.313 28.799 19.091 1.00 0.00 C ATOM 55666 O3* G B2592 19.580 29.850 18.542 1.00 0.00 O ATOM 55667 C2* G B2592 20.508 28.943 20.600 1.00 0.00 C ATOM 55668 O2* G B2592 19.303 29.351 21.226 1.00 0.00 O ATOM 55669 C1* G B2592 20.753 27.496 21.014 1.00 0.00 C ATOM 55670 N9 G B2592 22.198 27.130 21.077 1.00 0.00 N ATOM 55671 C8 G B2592 22.939 26.358 20.211 1.00 0.00 C ATOM 55672 N7 G B2592 24.197 26.225 20.557 1.00 0.00 N ATOM 55673 C5 G B2592 24.298 26.967 21.735 1.00 0.00 C ATOM 55674 C6 G B2592 25.415 27.198 22.575 1.00 0.00 C ATOM 55675 O6 G B2592 26.568 26.792 22.453 1.00 0.00 O ATOM 55676 N1 G B2592 25.073 28.004 23.671 1.00 0.00 N ATOM 55677 C2 G B2592 23.819 28.520 23.919 1.00 0.00 C ATOM 55678 N2 G B2592 23.696 29.271 25.018 1.00 0.00 N ATOM 55679 N3 G B2592 22.769 28.301 23.129 1.00 0.00 N ATOM 55680 C4 G B2592 23.081 27.520 22.061 1.00 0.00 C ATOM 55681 P U B2593 20.383 31.062 17.797 1.00 0.00 P ATOM 55682 O1P U B2593 19.447 31.867 16.979 1.00 0.00 O ATOM 55683 O2P U B2593 21.554 30.510 17.083 1.00 0.00 O ATOM 55684 O5* U B2593 20.870 31.917 19.060 1.00 0.00 O ATOM 55685 C5* U B2593 19.886 32.475 19.948 1.00 0.00 C ATOM 55686 C4* U B2593 20.568 33.132 21.131 1.00 0.00 C ATOM 55687 O4* U B2593 21.200 32.103 21.944 1.00 0.00 O ATOM 55688 C3* U B2593 21.712 34.089 20.792 1.00 0.00 C ATOM 55689 O3* U B2593 21.240 35.363 20.488 1.00 0.00 O ATOM 55690 C2* U B2593 22.544 34.060 22.073 1.00 0.00 C ATOM 55691 O2* U B2593 21.931 34.833 23.088 1.00 0.00 O ATOM 55692 C1* U B2593 22.412 32.595 22.490 1.00 0.00 C ATOM 55693 N1 U B2593 23.523 31.734 22.002 1.00 0.00 N ATOM 55694 C2 U B2593 24.738 31.862 22.630 1.00 0.00 C ATOM 55695 O2 U B2593 24.929 32.639 23.550 1.00 0.00 O ATOM 55696 N3 U B2593 25.744 31.045 22.151 1.00 0.00 N ATOM 55697 C4 U B2593 25.636 30.135 21.121 1.00 0.00 C ATOM 55698 O4 U B2593 26.609 29.459 20.778 1.00 0.00 O ATOM 55699 C5 U B2593 24.325 30.074 20.522 1.00 0.00 C ATOM 55700 C6 U B2593 23.330 30.854 20.969 1.00 0.00 C ATOM 55701 P C B2594 22.036 36.249 19.370 1.00 0.00 P ATOM 55702 O1P C B2594 21.199 37.385 18.925 1.00 0.00 O ATOM 55703 O2P C B2594 22.536 35.356 18.301 1.00 0.00 O ATOM 55704 O5* C B2594 23.266 36.792 20.239 1.00 0.00 O ATOM 55705 C5* C B2594 23.000 37.611 21.392 1.00 0.00 C ATOM 55706 C4* C B2594 24.288 37.907 22.132 1.00 0.00 C ATOM 55707 O4* C B2594 24.791 36.671 22.715 1.00 0.00 O ATOM 55708 C3* C B2594 25.449 38.405 21.270 1.00 0.00 C ATOM 55709 O3* C B2594 25.378 39.778 21.060 1.00 0.00 O ATOM 55710 C2* C B2594 26.662 37.999 22.103 1.00 0.00 C ATOM 55711 O2* C B2594 26.838 38.878 23.201 1.00 0.00 O ATOM 55712 C1* C B2594 26.208 36.661 22.677 1.00 0.00 C ATOM 55713 N1 C B2594 26.636 35.485 21.865 1.00 0.00 N ATOM 55714 C2 C B2594 27.977 35.111 21.925 1.00 0.00 C ATOM 55715 O2 C B2594 28.748 35.762 22.642 1.00 0.00 O ATOM 55716 N3 C B2594 28.392 34.045 21.197 1.00 0.00 N ATOM 55717 C4 C B2594 27.525 33.365 20.431 1.00 0.00 C ATOM 55718 N4 C B2594 27.978 32.332 19.739 1.00 0.00 N ATOM 55719 C5 C B2594 26.144 33.732 20.357 1.00 0.00 C ATOM 55720 C6 C B2594 25.751 34.804 21.094 1.00 0.00 C ATOM 55721 P G B2595 24.270 40.319 19.730 1.00 0.00 P ATOM 55722 O1P G B2595 24.738 41.584 19.113 1.00 0.00 O ATOM 55723 O2P G B2595 22.841 40.289 20.116 1.00 0.00 O ATOM 55724 O5* G B2595 24.779 38.892 18.755 1.00 0.00 O ATOM 55725 C5* G B2595 25.042 38.430 17.452 1.00 0.00 C ATOM 55726 C4* G B2595 25.093 39.547 16.265 1.00 0.00 C ATOM 55727 O4* G B2595 24.656 40.939 16.255 1.00 0.00 O ATOM 55728 C3* G B2595 25.117 39.161 14.788 1.00 0.00 C ATOM 55729 O3* G B2595 25.099 37.620 14.726 1.00 0.00 O ATOM 55730 C2* G B2595 23.921 39.930 14.237 1.00 0.00 C ATOM 55731 O2* G B2595 22.704 39.287 14.595 1.00 0.00 O ATOM 55732 C1* G B2595 23.985 41.227 15.038 1.00 0.00 C ATOM 55733 N9 G B2595 24.818 42.520 14.250 1.00 0.00 N ATOM 55734 C8 G B2595 26.010 43.125 14.589 1.00 0.00 C ATOM 55735 N7 G B2595 26.337 44.131 13.816 1.00 0.00 N ATOM 55736 C5 G B2595 25.286 44.199 12.904 1.00 0.00 C ATOM 55737 C6 G B2595 25.076 45.091 11.819 1.00 0.00 C ATOM 55738 O6 G B2595 25.784 46.017 11.434 1.00 0.00 O ATOM 55739 N1 G B2595 23.878 44.807 11.147 1.00 0.00 N ATOM 55740 C2 G B2595 23.000 43.797 11.479 1.00 0.00 C ATOM 55741 N2 G B2595 21.912 43.690 10.712 1.00 0.00 N ATOM 55742 N3 G B2595 23.200 42.961 12.496 1.00 0.00 N ATOM 55743 C4 G B2595 24.356 43.222 13.158 1.00 0.00 C ATOM 55744 P U B2596 25.449 36.779 13.150 1.00 0.00 P ATOM 55745 O1P U B2596 25.317 37.673 11.980 1.00 0.00 O ATOM 55746 O2P U B2596 24.704 35.501 13.071 1.00 0.00 O ATOM 55747 O5* U B2596 27.174 36.485 13.647 1.00 0.00 O ATOM 55748 C5* U B2596 27.974 35.490 14.315 1.00 0.00 C ATOM 55749 C4* U B2596 29.302 35.023 13.501 1.00 0.00 C ATOM 55750 O4* U B2596 29.129 34.410 12.188 1.00 0.00 O ATOM 55751 C3* U B2596 30.521 35.930 13.320 1.00 0.00 C ATOM 55752 O3* U B2596 31.192 36.384 14.622 1.00 0.00 O ATOM 55753 C2* U B2596 31.390 35.121 12.370 1.00 0.00 C ATOM 55754 O2* U B2596 32.032 34.057 13.061 1.00 0.00 O ATOM 55755 C1* U B2596 30.346 34.486 11.459 1.00 0.00 C ATOM 55756 N1 U B2596 30.053 35.338 10.014 1.00 0.00 N ATOM 55757 C2 U B2596 30.742 34.931 8.899 1.00 0.00 C ATOM 55758 O2 U B2596 31.596 34.060 8.928 1.00 0.00 O ATOM 55759 N3 U B2596 30.407 35.576 7.724 1.00 0.00 N ATOM 55760 C4 U B2596 29.461 36.571 7.579 1.00 0.00 C ATOM 55761 O4 U B2596 29.246 37.075 6.475 1.00 0.00 O ATOM 55762 C5 U B2596 28.790 36.932 8.805 1.00 0.00 C ATOM 55763 C6 U B2596 29.102 36.322 9.960 1.00 0.00 C ATOM 55764 P G B2597 32.130 37.944 14.469 1.00 0.00 P ATOM 55765 O1P G B2597 32.311 38.607 15.778 1.00 0.00 O ATOM 55766 O2P G B2597 31.575 38.793 13.387 1.00 0.00 O ATOM 55767 O5* G B2597 33.650 37.069 13.968 1.00 0.00 O ATOM 55768 C5* G B2597 35.004 36.562 14.018 1.00 0.00 C ATOM 55769 C4* G B2597 35.299 35.348 12.973 1.00 0.00 C ATOM 55770 O4* G B2597 34.831 35.542 11.609 1.00 0.00 O ATOM 55771 C3* G B2597 36.611 34.581 12.812 1.00 0.00 C ATOM 55772 O3* G B2597 37.317 33.877 14.029 1.00 0.00 O ATOM 55773 C2* G B2597 36.307 33.675 11.619 1.00 0.00 C ATOM 55774 O2* G B2597 35.488 32.590 12.010 1.00 0.00 O ATOM 55775 C1* G B2597 35.444 34.591 10.753 1.00 0.00 C ATOM 55776 N9 G B2597 36.314 35.449 9.516 1.00 0.00 N ATOM 55777 C8 G B2597 36.166 36.754 9.093 1.00 0.00 C ATOM 55778 N7 G B2597 36.921 37.069 8.066 1.00 0.00 N ATOM 55779 C5 G B2597 37.609 35.889 7.787 1.00 0.00 C ATOM 55780 C6 G B2597 38.577 35.609 6.783 1.00 0.00 C ATOM 55781 O6 G B2597 39.022 36.353 5.918 1.00 0.00 O ATOM 55782 N1 G B2597 39.018 34.282 6.858 1.00 0.00 N ATOM 55783 C2 G B2597 38.591 33.350 7.782 1.00 0.00 C ATOM 55784 N2 G B2597 39.141 32.137 7.688 1.00 0.00 N ATOM 55785 N3 G B2597 37.691 33.613 8.723 1.00 0.00 N ATOM 55786 C4 G B2597 37.245 34.897 8.667 1.00 0.00 C ATOM 55787 P A B2598 38.400 32.405 13.655 1.00 0.00 P ATOM 55788 O1P A B2598 39.528 32.810 12.785 1.00 0.00 O ATOM 55789 O2P A B2598 37.572 31.281 13.158 1.00 0.00 O ATOM 55790 O5* A B2598 39.030 31.927 15.324 1.00 0.00 O ATOM 55791 C5* A B2598 39.588 30.800 16.098 1.00 0.00 C ATOM 55792 C4* A B2598 39.411 31.127 17.701 1.00 0.00 C ATOM 55793 O4* A B2598 38.773 32.440 17.691 1.00 0.00 O ATOM 55794 C3* A B2598 38.600 30.335 18.726 1.00 0.00 C ATOM 55795 O3* A B2598 38.049 28.877 18.771 1.00 0.00 O ATOM 55796 C2* A B2598 38.274 31.399 19.768 1.00 0.00 C ATOM 55797 O2* A B2598 39.403 31.677 20.578 1.00 0.00 O ATOM 55798 C1* A B2598 38.042 32.630 18.894 1.00 0.00 C ATOM 55799 N9 A B2598 36.429 32.915 18.495 1.00 0.00 N ATOM 55800 C8 A B2598 35.694 34.068 18.671 1.00 0.00 C ATOM 55801 N7 A B2598 34.511 34.014 18.145 1.00 0.00 N ATOM 55802 C5 A B2598 34.444 32.750 17.584 1.00 0.00 C ATOM 55803 C6 A B2598 33.433 32.075 16.875 1.00 0.00 C ATOM 55804 N6 A B2598 32.240 32.621 16.596 1.00 0.00 N ATOM 55805 N1 A B2598 33.695 30.824 16.461 1.00 0.00 N ATOM 55806 C2 A B2598 34.882 30.291 16.741 1.00 0.00 C ATOM 55807 N3 A B2598 35.896 30.817 17.392 1.00 0.00 N ATOM 55808 C4 A B2598 35.610 32.070 17.796 1.00 0.00 C ATOM 55809 P G B2599 37.951 27.854 20.331 1.00 0.00 P ATOM 55810 O1P G B2599 39.317 27.391 20.667 1.00 0.00 O ATOM 55811 O2P G B2599 36.912 26.804 20.265 1.00 0.00 O ATOM 55812 O5* G B2599 37.501 29.000 21.351 1.00 0.00 O ATOM 55813 C5* G B2599 38.511 29.795 22.003 1.00 0.00 C ATOM 55814 C4* G B2599 37.860 30.893 22.823 1.00 0.00 C ATOM 55815 O4* G B2599 37.225 31.842 21.917 1.00 0.00 O ATOM 55816 C3* G B2599 36.725 30.450 23.747 1.00 0.00 C ATOM 55817 O3* G B2599 37.210 29.974 24.961 1.00 0.00 O ATOM 55818 C2* G B2599 35.914 31.735 23.899 1.00 0.00 C ATOM 55819 O2* G B2599 36.560 32.633 24.786 1.00 0.00 O ATOM 55820 C1* G B2599 36.031 32.338 22.500 1.00 0.00 C ATOM 55821 N9 G B2599 34.898 31.984 21.602 1.00 0.00 N ATOM 55822 C8 G B2599 34.870 31.101 20.545 1.00 0.00 C ATOM 55823 N7 G B2599 33.702 31.019 19.949 1.00 0.00 N ATOM 55824 C5 G B2599 32.904 31.910 20.665 1.00 0.00 C ATOM 55825 C6 G B2599 31.537 32.251 20.490 1.00 0.00 C ATOM 55826 O6 G B2599 30.737 31.835 19.655 1.00 0.00 O ATOM 55827 N1 G B2599 31.123 33.201 21.437 1.00 0.00 N ATOM 55828 C2 G B2599 31.926 33.746 22.424 1.00 0.00 C ATOM 55829 N2 G B2599 31.341 34.635 23.228 1.00 0.00 N ATOM 55830 N3 G B2599 33.206 33.421 22.584 1.00 0.00 N ATOM 55831 C4 G B2599 33.622 32.504 21.674 1.00 0.00 C ATOM 55832 P A B2600 36.408 28.764 25.709 1.00 0.00 P ATOM 55833 O1P A B2600 37.257 28.160 26.758 1.00 0.00 O ATOM 55834 O2P A B2600 35.877 27.825 24.693 1.00 0.00 O ATOM 55835 O5* A B2600 35.203 29.573 26.383 1.00 0.00 O ATOM 55836 C5* A B2600 35.505 30.606 27.338 1.00 0.00 C ATOM 55837 C4* A B2600 34.232 31.319 27.752 1.00 0.00 C ATOM 55838 O4* A B2600 33.722 32.066 26.610 1.00 0.00 O ATOM 55839 C3* A B2600 33.064 30.419 28.153 1.00 0.00 C ATOM 55840 O3* A B2600 33.155 30.032 29.490 1.00 0.00 O ATOM 55841 C2* A B2600 31.860 31.317 27.882 1.00 0.00 C ATOM 55842 O2* A B2600 31.722 32.291 28.900 1.00 0.00 O ATOM 55843 C1* A B2600 32.303 32.051 26.621 1.00 0.00 C ATOM 55844 N9 A B2600 31.841 31.408 25.359 1.00 0.00 N ATOM 55845 C8 A B2600 32.562 30.681 24.443 1.00 0.00 C ATOM 55846 N7 A B2600 31.860 30.251 23.439 1.00 0.00 N ATOM 55847 C5 A B2600 30.582 30.725 23.698 1.00 0.00 C ATOM 55848 C6 A B2600 29.366 30.609 23.003 1.00 0.00 C ATOM 55849 N6 A B2600 29.242 29.943 21.844 1.00 0.00 N ATOM 55850 N1 A B2600 28.285 31.199 23.539 1.00 0.00 N ATOM 55851 C2 A B2600 28.418 31.857 24.690 1.00 0.00 C ATOM 55852 N3 A B2600 29.492 32.033 25.426 1.00 0.00 N ATOM 55853 C4 A B2600 30.562 31.430 24.867 1.00 0.00 C ATOM 55854 P C B2601 32.616 28.548 29.914 1.00 0.00 P ATOM 55855 O1P C B2601 33.123 28.185 31.256 1.00 0.00 O ATOM 55856 O2P C B2601 32.915 27.586 28.828 1.00 0.00 O ATOM 55857 O5* C B2601 31.038 28.815 29.984 1.00 0.00 O ATOM 55858 C5* C B2601 30.536 29.788 30.915 1.00 0.00 C ATOM 55859 C4* C B2601 29.043 29.965 30.726 1.00 0.00 C ATOM 55860 O4* C B2601 28.804 30.591 29.431 1.00 0.00 O ATOM 55861 C3* C B2601 28.219 28.675 30.668 1.00 0.00 C ATOM 55862 O3* C B2601 27.898 28.219 31.943 1.00 0.00 O ATOM 55863 C2* C B2601 26.994 29.114 29.872 1.00 0.00 C ATOM 55864 O2* C B2601 26.113 29.875 30.681 1.00 0.00 O ATOM 55865 C1* C B2601 27.611 30.079 28.861 1.00 0.00 C ATOM 55866 N1 C B2601 27.960 29.436 27.562 1.00 0.00 N ATOM 55867 C2 C B2601 26.918 29.117 26.695 1.00 0.00 C ATOM 55868 O2 C B2601 25.758 29.374 27.036 1.00 0.00 O ATOM 55869 N3 C B2601 27.217 28.532 25.506 1.00 0.00 N ATOM 55870 C4 C B2601 28.486 28.267 25.176 1.00 0.00 C ATOM 55871 N4 C B2601 28.725 27.696 24.003 1.00 0.00 N ATOM 55872 C5 C B2601 29.572 28.591 26.050 1.00 0.00 C ATOM 55873 C6 C B2601 29.254 29.173 27.234 1.00 0.00 C ATOM 55874 P A B2602 28.263 28.747 33.493 1.00 0.00 P ATOM 55875 O1P A B2602 28.443 30.209 33.331 1.00 0.00 O ATOM 55876 O2P A B2602 29.179 28.085 34.449 1.00 0.00 O ATOM 55877 O5* A B2602 26.556 28.175 33.599 1.00 0.00 O ATOM 55878 C5* A B2602 25.294 27.686 34.045 1.00 0.00 C ATOM 55879 C4* A B2602 24.201 27.651 32.858 1.00 0.00 C ATOM 55880 O4* A B2602 24.519 28.239 31.564 1.00 0.00 O ATOM 55881 C3* A B2602 23.396 26.399 32.503 1.00 0.00 C ATOM 55882 O3* A B2602 22.549 25.930 33.696 1.00 0.00 O ATOM 55883 C2* A B2602 22.606 26.862 31.281 1.00 0.00 C ATOM 55884 O2* A B2602 21.521 27.692 31.671 1.00 0.00 O ATOM 55885 C1* A B2602 23.616 27.753 30.578 1.00 0.00 C ATOM 55886 N9 A B2602 24.479 27.014 29.413 1.00 0.00 N ATOM 55887 C8 A B2602 25.684 26.348 29.530 1.00 0.00 C ATOM 55888 N7 A B2602 26.024 25.685 28.470 1.00 0.00 N ATOM 55889 C5 A B2602 24.989 25.924 27.581 1.00 0.00 C ATOM 55890 C6 A B2602 24.754 25.494 26.263 1.00 0.00 C ATOM 55891 N6 A B2602 25.597 24.698 25.583 1.00 0.00 N ATOM 55892 N1 A B2602 23.623 25.910 25.666 1.00 0.00 N ATOM 55893 C2 A B2602 22.791 26.701 26.345 1.00 0.00 C ATOM 55894 N3 A B2602 22.904 27.164 27.573 1.00 0.00 N ATOM 55895 C4 A B2602 24.045 26.729 28.144 1.00 0.00 C ATOM 55896 P G B2603 22.240 24.218 34.288 1.00 0.00 P ATOM 55897 O1P G B2603 21.624 24.495 35.606 1.00 0.00 O ATOM 55898 O2P G B2603 23.270 23.157 34.265 1.00 0.00 O ATOM 55899 O5* G B2603 21.097 23.887 33.217 1.00 0.00 O ATOM 55900 C5* G B2603 19.746 24.293 33.493 1.00 0.00 C ATOM 55901 C4* G B2603 18.858 23.991 32.298 1.00 0.00 C ATOM 55902 O4* G B2603 19.245 24.859 31.194 1.00 0.00 O ATOM 55903 C3* G B2603 18.979 22.582 31.721 1.00 0.00 C ATOM 55904 O3* G B2603 18.179 21.676 32.413 1.00 0.00 O ATOM 55905 C2* G B2603 18.525 22.786 30.277 1.00 0.00 C ATOM 55906 O2* G B2603 17.113 22.912 30.207 1.00 0.00 O ATOM 55907 C1* G B2603 19.104 24.163 29.965 1.00 0.00 C ATOM 55908 N9 G B2603 20.444 24.113 29.310 1.00 0.00 N ATOM 55909 C8 G B2603 21.683 24.393 29.843 1.00 0.00 C ATOM 55910 N7 G B2603 22.672 24.250 28.993 1.00 0.00 N ATOM 55911 C5 G B2603 22.043 23.847 27.816 1.00 0.00 C ATOM 55912 C6 G B2603 22.592 23.537 26.546 1.00 0.00 C ATOM 55913 O6 G B2603 23.768 23.558 26.189 1.00 0.00 O ATOM 55914 N1 G B2603 21.592 23.173 25.632 1.00 0.00 N ATOM 55915 C2 G B2603 20.242 23.116 25.908 1.00 0.00 C ATOM 55916 N2 G B2603 19.450 22.743 24.898 1.00 0.00 N ATOM 55917 N3 G B2603 19.727 23.403 27.103 1.00 0.00 N ATOM 55918 C4 G B2603 20.684 23.761 28.001 1.00 0.00 C ATOM 55919 P U B2604 18.699 20.137 32.579 1.00 0.00 P ATOM 55920 O1P U B2604 17.919 19.443 33.627 1.00 0.00 O ATOM 55921 O2P U B2604 20.168 20.131 32.759 1.00 0.00 O ATOM 55922 O5* U B2604 18.327 19.539 31.142 1.00 0.00 O ATOM 55923 C5* U B2604 16.949 19.530 30.725 1.00 0.00 C ATOM 55924 C4* U B2604 16.842 19.039 29.295 1.00 0.00 C ATOM 55925 O4* U B2604 17.452 20.023 28.409 1.00 0.00 O ATOM 55926 C3* U B2604 17.595 17.747 28.977 1.00 0.00 C ATOM 55927 O3* U B2604 16.843 16.622 29.308 1.00 0.00 O ATOM 55928 C2* U B2604 17.830 17.874 27.475 1.00 0.00 C ATOM 55929 O2* U B2604 16.643 17.595 26.752 1.00 0.00 O ATOM 55930 C1* U B2604 18.096 19.368 27.330 1.00 0.00 C ATOM 55931 N1 U B2604 19.542 19.728 27.371 1.00 0.00 N ATOM 55932 C2 U B2604 20.291 19.432 26.258 1.00 0.00 C ATOM 55933 O2 U B2604 19.824 18.900 25.267 1.00 0.00 O ATOM 55934 N3 U B2604 21.626 19.780 26.333 1.00 0.00 N ATOM 55935 C4 U B2604 22.257 20.384 27.402 1.00 0.00 C ATOM 55936 O4 U B2604 23.461 20.645 27.353 1.00 0.00 O ATOM 55937 C5 U B2604 21.389 20.653 28.524 1.00 0.00 C ATOM 55938 C6 U B2604 20.087 20.325 28.476 1.00 0.00 C ATOM 55939 P U B2605 17.619 15.289 29.846 1.00 0.00 P ATOM 55940 O1P U B2605 16.661 14.361 30.484 1.00 0.00 O ATOM 55941 O2P U B2605 18.775 15.695 30.680 1.00 0.00 O ATOM 55942 O5* U B2605 18.141 14.667 28.467 1.00 0.00 O ATOM 55943 C5* U B2605 17.177 14.287 27.466 1.00 0.00 C ATOM 55944 C4* U B2605 17.889 13.845 26.203 1.00 0.00 C ATOM 55945 O4* U B2605 18.548 14.999 25.606 1.00 0.00 O ATOM 55946 C3* U B2605 19.020 12.834 26.397 1.00 0.00 C ATOM 55947 O3* U B2605 18.536 11.529 26.457 1.00 0.00 O ATOM 55948 C2* U B2605 19.886 13.084 25.165 1.00 0.00 C ATOM 55949 O2* U B2605 19.299 12.510 24.011 1.00 0.00 O ATOM 55950 C1* U B2605 19.774 14.600 25.012 1.00 0.00 C ATOM 55951 N1 U B2605 20.873 15.352 25.675 1.00 0.00 N ATOM 55952 C2 U B2605 22.105 15.328 25.068 1.00 0.00 C ATOM 55953 O2 U B2605 22.320 14.724 24.028 1.00 0.00 O ATOM 55954 N3 U B2605 23.100 16.037 25.712 1.00 0.00 N ATOM 55955 C4 U B2605 22.968 16.748 26.886 1.00 0.00 C ATOM 55956 O4 U B2605 23.935 17.345 27.368 1.00 0.00 O ATOM 55957 C5 U B2605 21.640 16.715 27.450 1.00 0.00 C ATOM 55958 C6 U B2605 20.655 16.036 26.844 1.00 0.00 C ATOM 55959 P C B2606 19.297 10.452 27.417 1.00 0.00 P ATOM 55960 O1P C B2606 18.443 9.262 27.631 1.00 0.00 O ATOM 55961 O2P C B2606 19.768 11.133 28.643 1.00 0.00 O ATOM 55962 O5* C B2606 20.548 10.062 26.498 1.00 0.00 O ATOM 55963 C5* C B2606 20.310 9.464 25.211 1.00 0.00 C ATOM 55964 C4* C B2606 21.618 9.294 24.467 1.00 0.00 C ATOM 55965 O4* C B2606 22.141 10.610 24.127 1.00 0.00 O ATOM 55966 C3* C B2606 22.753 8.641 25.257 1.00 0.00 C ATOM 55967 O3* C B2606 22.670 7.252 25.215 1.00 0.00 O ATOM 55968 C2* C B2606 23.993 9.178 24.542 1.00 0.00 C ATOM 55969 O2* C B2606 24.191 8.507 23.308 1.00 0.00 O ATOM 55970 C1* C B2606 23.556 10.601 24.206 1.00 0.00 C ATOM 55971 N1 C B2606 23.969 11.608 25.223 1.00 0.00 N ATOM 55972 C2 C B2606 25.312 11.975 25.265 1.00 0.00 C ATOM 55973 O2 C B2606 26.097 11.455 24.465 1.00 0.00 O ATOM 55974 N3 C B2606 25.708 12.892 26.185 1.00 0.00 N ATOM 55975 C4 C B2606 24.826 13.431 27.036 1.00 0.00 C ATOM 55976 N4 C B2606 25.263 14.321 27.914 1.00 0.00 N ATOM 55977 C5 C B2606 23.442 13.069 27.006 1.00 0.00 C ATOM 55978 C6 C B2606 23.065 12.151 26.081 1.00 0.00 C ATOM 55979 P G B2607 22.190 6.472 26.869 1.00 0.00 P ATOM 55980 O1P G B2607 20.868 5.825 26.728 1.00 0.00 O ATOM 55981 O2P G B2607 22.290 7.510 27.922 1.00 0.00 O ATOM 55982 O5* G B2607 23.446 5.130 27.243 1.00 0.00 O ATOM 55983 C5* G B2607 23.525 4.335 28.518 1.00 0.00 C ATOM 55984 C4* G B2607 24.426 2.934 28.746 1.00 0.00 C ATOM 55985 O4* G B2607 25.548 2.874 29.665 1.00 0.00 O ATOM 55986 C3* G B2607 24.736 1.852 27.707 1.00 0.00 C ATOM 55987 O3* G B2607 23.753 0.650 27.351 1.00 0.00 O ATOM 55988 C2* G B2607 26.254 1.960 27.583 1.00 0.00 C ATOM 55989 O2* G B2607 26.618 3.094 26.815 1.00 0.00 O ATOM 55990 C1* G B2607 26.657 2.258 29.027 1.00 0.00 C ATOM 55991 N9 G B2607 27.118 0.853 29.959 1.00 0.00 N ATOM 55992 C8 G B2607 26.375 -0.264 30.271 1.00 0.00 C ATOM 55993 N7 G B2607 27.060 -1.219 30.855 1.00 0.00 N ATOM 55994 C5 G B2607 28.350 -0.700 30.933 1.00 0.00 C ATOM 55995 C6 G B2607 29.535 -1.267 31.464 1.00 0.00 C ATOM 55996 O6 G B2607 29.692 -2.368 31.988 1.00 0.00 O ATOM 55997 N1 G B2607 30.625 -0.396 31.335 1.00 0.00 N ATOM 55998 C2 G B2607 30.576 0.859 30.770 1.00 0.00 C ATOM 55999 N2 G B2607 31.727 1.538 30.742 1.00 0.00 N ATOM 56000 N3 G B2607 29.464 1.398 30.270 1.00 0.00 N ATOM 56001 C4 G B2607 28.395 0.563 30.385 1.00 0.00 C ATOM 56002 P G B2608 24.001 -1.086 28.008 1.00 0.00 P ATOM 56003 O1P G B2608 24.339 -1.025 29.445 1.00 0.00 O ATOM 56004 O2P G B2608 24.973 -1.794 27.142 1.00 0.00 O ATOM 56005 O5* G B2608 22.336 -1.930 27.972 1.00 0.00 O ATOM 56006 C5* G B2608 21.927 -3.238 28.595 1.00 0.00 C ATOM 56007 C4* G B2608 21.044 -3.149 30.014 1.00 0.00 C ATOM 56008 O4* G B2608 21.722 -2.035 30.669 1.00 0.00 O ATOM 56009 C3* G B2608 19.585 -2.694 29.940 1.00 0.00 C ATOM 56010 O3* G B2608 18.631 -4.025 29.980 1.00 0.00 O ATOM 56011 C2* G B2608 19.421 -1.929 31.248 1.00 0.00 C ATOM 56012 O2* G B2608 19.298 -2.822 32.343 1.00 0.00 O ATOM 56013 C1* G B2608 20.782 -1.251 31.384 1.00 0.00 C ATOM 56014 N9 G B2608 20.848 0.367 30.773 1.00 0.00 N ATOM 56015 C8 G B2608 21.400 0.829 29.599 1.00 0.00 C ATOM 56016 N7 G B2608 21.391 2.139 29.485 1.00 0.00 N ATOM 56017 C5 G B2608 20.789 2.570 30.667 1.00 0.00 C ATOM 56018 C6 G B2608 20.502 3.879 31.125 1.00 0.00 C ATOM 56019 O6 G B2608 20.724 4.955 30.565 1.00 0.00 O ATOM 56020 N1 G B2608 19.883 3.865 32.378 1.00 0.00 N ATOM 56021 C2 G B2608 19.585 2.731 33.108 1.00 0.00 C ATOM 56022 N2 G B2608 18.994 2.921 34.289 1.00 0.00 N ATOM 56023 N3 G B2608 19.854 1.496 32.681 1.00 0.00 N ATOM 56024 C4 G B2608 20.451 1.494 31.459 1.00 0.00 C ATOM 56025 P U B2609 17.246 -4.564 28.840 1.00 0.00 P ATOM 56026 O1P U B2609 17.364 -5.972 28.402 1.00 0.00 O ATOM 56027 O2P U B2609 17.181 -3.554 27.758 1.00 0.00 O ATOM 56028 O5* U B2609 15.897 -4.635 30.078 1.00 0.00 O ATOM 56029 C5* U B2609 15.261 -5.959 30.210 1.00 0.00 C ATOM 56030 C4* U B2609 13.660 -5.946 29.965 1.00 0.00 C ATOM 56031 O4* U B2609 12.871 -4.828 30.470 1.00 0.00 O ATOM 56032 C3* U B2609 12.615 -6.934 29.453 1.00 0.00 C ATOM 56033 O3* U B2609 12.880 -8.337 28.829 1.00 0.00 O ATOM 56034 C2* U B2609 11.487 -6.762 30.464 1.00 0.00 C ATOM 56035 O2* U B2609 11.802 -7.414 31.684 1.00 0.00 O ATOM 56036 C1* U B2609 11.543 -5.263 30.738 1.00 0.00 C ATOM 56037 N1 U B2609 10.482 -4.336 29.805 1.00 0.00 N ATOM 56038 C2 U B2609 10.464 -2.982 30.037 1.00 0.00 C ATOM 56039 O2 U B2609 11.211 -2.440 30.827 1.00 0.00 O ATOM 56040 N3 U B2609 9.537 -2.268 29.301 1.00 0.00 N ATOM 56041 C4 U B2609 8.646 -2.781 28.383 1.00 0.00 C ATOM 56042 O4 U B2609 7.862 -2.041 27.789 1.00 0.00 O ATOM 56043 C5 U B2609 8.736 -4.214 28.208 1.00 0.00 C ATOM 56044 C6 U B2609 9.633 -4.930 28.905 1.00 0.00 C ATOM 56045 P C B2610 11.575 -8.951 27.650 1.00 0.00 P ATOM 56046 O1P C B2610 11.507 -8.017 26.502 1.00 0.00 O ATOM 56047 O2P C B2610 10.294 -9.209 28.341 1.00 0.00 O ATOM 56048 O5* C B2610 12.301 -10.543 27.030 1.00 0.00 O ATOM 56049 C5* C B2610 12.345 -11.321 25.761 1.00 0.00 C ATOM 56050 C4* C B2610 11.053 -12.355 25.360 1.00 0.00 C ATOM 56051 O4* C B2610 9.789 -12.050 26.011 1.00 0.00 O ATOM 56052 C3* C B2610 11.105 -13.884 25.349 1.00 0.00 C ATOM 56053 O3* C B2610 11.440 -14.951 24.296 1.00 0.00 O ATOM 56054 C2* C B2610 10.444 -14.233 26.681 1.00 0.00 C ATOM 56055 O2* C B2610 11.337 -14.010 27.761 1.00 0.00 O ATOM 56056 C1* C B2610 9.360 -13.169 26.777 1.00 0.00 C ATOM 56057 N1 C B2610 7.829 -13.659 26.203 1.00 0.00 N ATOM 56058 C2 C B2610 7.271 -14.815 26.744 1.00 0.00 C ATOM 56059 O2 C B2610 7.934 -15.471 27.559 1.00 0.00 O ATOM 56060 N3 C B2610 6.022 -15.181 26.360 1.00 0.00 N ATOM 56061 C4 C B2610 5.336 -14.444 25.477 1.00 0.00 C ATOM 56062 N4 C B2610 4.121 -14.839 25.138 1.00 0.00 N ATOM 56063 C5 C B2610 5.888 -13.251 24.905 1.00 0.00 C ATOM 56064 C6 C B2610 7.138 -12.903 25.307 1.00 0.00 C ATOM 56065 P C B2611 10.677 -16.583 24.685 1.00 0.00 P ATOM 56066 O1P C B2611 9.227 -16.406 24.938 1.00 0.00 O ATOM 56067 O2P C B2611 11.408 -17.416 25.667 1.00 0.00 O ATOM 56068 O5* C B2611 10.900 -17.164 23.211 1.00 0.00 O ATOM 56069 C5* C B2611 10.439 -18.494 22.909 1.00 0.00 C ATOM 56070 C4* C B2611 10.638 -18.787 21.432 1.00 0.00 C ATOM 56071 O4* C B2611 9.742 -17.943 20.658 1.00 0.00 O ATOM 56072 C3* C B2611 12.025 -18.464 20.871 1.00 0.00 C ATOM 56073 O3* C B2611 12.922 -19.506 21.094 1.00 0.00 O ATOM 56074 C2* C B2611 11.727 -18.253 19.391 1.00 0.00 C ATOM 56075 O2* C B2611 11.531 -19.492 18.732 1.00 0.00 O ATOM 56076 C1* C B2611 10.369 -17.557 19.444 1.00 0.00 C ATOM 56077 N1 C B2611 10.456 -16.072 19.425 1.00 0.00 N ATOM 56078 C2 C B2611 10.774 -15.456 18.215 1.00 0.00 C ATOM 56079 O2 C B2611 10.969 -16.164 17.220 1.00 0.00 O ATOM 56080 N3 C B2611 10.859 -14.103 18.175 1.00 0.00 N ATOM 56081 C4 C B2611 10.639 -13.370 19.275 1.00 0.00 C ATOM 56082 N4 C B2611 10.734 -12.052 19.182 1.00 0.00 N ATOM 56083 C5 C B2611 10.310 -13.982 20.529 1.00 0.00 C ATOM 56084 C6 C B2611 10.233 -15.338 20.546 1.00 0.00 C ATOM 56085 P C B2612 14.491 -19.145 21.367 1.00 0.00 P ATOM 56086 O1P C B2612 15.196 -20.318 21.935 1.00 0.00 O ATOM 56087 O2P C B2612 14.580 -17.897 22.157 1.00 0.00 O ATOM 56088 O5* C B2612 15.001 -18.881 19.876 1.00 0.00 O ATOM 56089 C5* C B2612 14.920 -19.944 18.909 1.00 0.00 C ATOM 56090 C4* C B2612 15.337 -19.438 17.542 1.00 0.00 C ATOM 56091 O4* C B2612 14.342 -18.484 17.070 1.00 0.00 O ATOM 56092 C3* C B2612 16.649 -18.653 17.495 1.00 0.00 C ATOM 56093 O3* C B2612 17.749 -19.503 17.402 1.00 0.00 O ATOM 56094 C2* C B2612 16.463 -17.792 16.247 1.00 0.00 C ATOM 56095 O2* C B2612 16.645 -18.561 15.073 1.00 0.00 O ATOM 56096 C1* C B2612 14.975 -17.455 16.327 1.00 0.00 C ATOM 56097 N1 C B2612 14.694 -16.158 17.005 1.00 0.00 N ATOM 56098 C2 C B2612 14.971 -14.986 16.308 1.00 0.00 C ATOM 56099 O2 C B2612 15.437 -15.069 15.166 1.00 0.00 O ATOM 56100 N3 C B2612 14.721 -13.794 16.909 1.00 0.00 N ATOM 56101 C4 C B2612 14.215 -13.746 18.148 1.00 0.00 C ATOM 56102 N4 C B2612 13.987 -12.559 18.688 1.00 0.00 N ATOM 56103 C5 C B2612 13.924 -14.943 18.882 1.00 0.00 C ATOM 56104 C6 C B2612 14.179 -16.122 18.263 1.00 0.00 C ATOM 56105 P U B2613 18.734 -19.799 18.976 1.00 0.00 P ATOM 56106 O1P U B2613 20.161 -19.954 18.621 1.00 0.00 O ATOM 56107 O2P U B2613 18.124 -20.938 19.694 1.00 0.00 O ATOM 56108 O5* U B2613 18.570 -18.270 20.020 1.00 0.00 O ATOM 56109 C5* U B2613 18.869 -17.258 21.053 1.00 0.00 C ATOM 56110 C4* U B2613 19.642 -17.572 22.484 1.00 0.00 C ATOM 56111 O4* U B2613 19.112 -18.373 23.584 1.00 0.00 O ATOM 56112 C3* U B2613 20.912 -16.949 23.067 1.00 0.00 C ATOM 56113 O3* U B2613 22.370 -17.307 22.680 1.00 0.00 O ATOM 56114 C2* U B2613 20.514 -16.694 24.515 1.00 0.00 C ATOM 56115 O2* U B2613 19.676 -15.559 24.615 1.00 0.00 O ATOM 56116 C1* U B2613 19.650 -17.913 24.815 1.00 0.00 C ATOM 56117 N1 U B2613 20.477 -19.204 25.554 1.00 0.00 N ATOM 56118 C2 U B2613 21.220 -18.912 26.675 1.00 0.00 C ATOM 56119 O2 U B2613 21.255 -17.806 27.178 1.00 0.00 O ATOM 56120 N3 U B2613 21.936 -19.970 27.202 1.00 0.00 N ATOM 56121 C4 U B2613 21.970 -21.261 26.718 1.00 0.00 C ATOM 56122 O4 U B2613 22.649 -22.124 27.279 1.00 0.00 O ATOM 56123 C5 U B2613 21.158 -21.467 25.541 1.00 0.00 C ATOM 56124 C6 U B2613 20.452 -20.456 25.009 1.00 0.00 C ATOM 56125 P A B2614 23.275 -15.962 21.856 1.00 0.00 P ATOM 56126 O1P A B2614 24.743 -16.116 21.993 1.00 0.00 O ATOM 56127 O2P A B2614 22.738 -14.619 22.179 1.00 0.00 O ATOM 56128 O5* A B2614 22.649 -16.593 20.276 1.00 0.00 O ATOM 56129 C5* A B2614 22.321 -17.799 19.569 1.00 0.00 C ATOM 56130 C4* A B2614 23.536 -18.282 18.621 1.00 0.00 C ATOM 56131 O4* A B2614 24.844 -18.548 19.215 1.00 0.00 O ATOM 56132 C3* A B2614 23.458 -19.261 17.452 1.00 0.00 C ATOM 56133 O3* A B2614 22.793 -18.508 16.219 1.00 0.00 O ATOM 56134 C2* A B2614 24.903 -19.280 16.952 1.00 0.00 C ATOM 56135 O2* A B2614 25.191 -18.105 16.213 1.00 0.00 O ATOM 56136 C1* A B2614 25.680 -19.184 18.261 1.00 0.00 C ATOM 56137 N9 A B2614 26.169 -20.643 18.884 1.00 0.00 N ATOM 56138 C8 A B2614 26.187 -21.048 20.204 1.00 0.00 C ATOM 56139 N7 A B2614 26.803 -22.169 20.398 1.00 0.00 N ATOM 56140 C5 A B2614 27.223 -22.548 19.131 1.00 0.00 C ATOM 56141 C6 A B2614 27.936 -23.665 18.658 1.00 0.00 C ATOM 56142 N6 A B2614 28.374 -24.646 19.456 1.00 0.00 N ATOM 56143 N1 A B2614 28.186 -23.728 17.341 1.00 0.00 N ATOM 56144 C2 A B2614 27.747 -22.745 16.556 1.00 0.00 C ATOM 56145 N3 A B2614 27.077 -21.665 16.874 1.00 0.00 N ATOM 56146 C4 A B2614 26.836 -21.622 18.206 1.00 0.00 C ATOM 56147 P U B2615 21.318 -18.685 15.207 1.00 0.00 P ATOM 56148 O1P U B2615 20.173 -18.049 15.899 1.00 0.00 O ATOM 56149 O2P U B2615 21.016 -19.943 14.490 1.00 0.00 O ATOM 56150 O5* U B2615 21.986 -17.637 14.197 1.00 0.00 O ATOM 56151 C5* U B2615 22.194 -18.022 12.826 1.00 0.00 C ATOM 56152 C4* U B2615 22.717 -16.843 12.030 1.00 0.00 C ATOM 56153 O4* U B2615 21.669 -15.834 11.936 1.00 0.00 O ATOM 56154 C3* U B2615 23.897 -16.091 12.651 1.00 0.00 C ATOM 56155 O3* U B2615 25.110 -16.702 12.345 1.00 0.00 O ATOM 56156 C2* U B2615 23.759 -14.706 12.021 1.00 0.00 C ATOM 56157 O2* U B2615 24.213 -14.716 10.678 1.00 0.00 O ATOM 56158 C1* U B2615 22.244 -14.538 11.976 1.00 0.00 C ATOM 56159 N1 U B2615 21.684 -13.822 13.155 1.00 0.00 N ATOM 56160 C2 U B2615 21.889 -12.465 13.218 1.00 0.00 C ATOM 56161 O2 U B2615 22.497 -11.845 12.363 1.00 0.00 O ATOM 56162 N3 U B2615 21.355 -11.835 14.325 1.00 0.00 N ATOM 56163 C4 U B2615 20.652 -12.436 15.351 1.00 0.00 C ATOM 56164 O4 U B2615 20.221 -11.766 16.292 1.00 0.00 O ATOM 56165 C5 U B2615 20.488 -13.864 15.198 1.00 0.00 C ATOM 56166 C6 U B2615 20.999 -14.499 14.129 1.00 0.00 C ATOM 56167 P C B2616 26.314 -16.657 13.452 1.00 0.00 P ATOM 56168 O1P C B2616 27.356 -17.645 13.113 1.00 0.00 O ATOM 56169 O2P C B2616 25.733 -16.764 14.810 1.00 0.00 O ATOM 56170 O5* C B2616 26.873 -15.174 13.220 1.00 0.00 O ATOM 56171 C5* C B2616 27.402 -14.821 11.929 1.00 0.00 C ATOM 56172 C4* C B2616 27.757 -13.352 11.897 1.00 0.00 C ATOM 56173 O4* C B2616 26.533 -12.567 11.976 1.00 0.00 O ATOM 56174 C3* C B2616 28.597 -12.842 13.072 1.00 0.00 C ATOM 56175 O3* C B2616 29.955 -13.070 12.864 1.00 0.00 O ATOM 56176 C2* C B2616 28.244 -11.357 13.097 1.00 0.00 C ATOM 56177 O2* C B2616 28.916 -10.663 12.060 1.00 0.00 O ATOM 56178 C1* C B2616 26.765 -11.387 12.729 1.00 0.00 C ATOM 56179 N1 C B2616 25.855 -11.404 13.908 1.00 0.00 N ATOM 56180 C2 C B2616 25.703 -10.222 14.629 1.00 0.00 C ATOM 56181 O2 C B2616 26.322 -9.216 14.264 1.00 0.00 O ATOM 56182 N3 C B2616 24.874 -10.217 15.709 1.00 0.00 N ATOM 56183 C4 C B2616 24.222 -11.330 16.069 1.00 0.00 C ATOM 56184 N4 C B2616 23.428 -11.272 17.127 1.00 0.00 N ATOM 56185 C5 C B2616 24.365 -12.554 15.340 1.00 0.00 C ATOM 56186 C6 C B2616 25.195 -12.539 14.267 1.00 0.00 C ATOM 56187 P U B2617 30.899 -13.404 14.154 1.00 0.00 P ATOM 56188 O1P U B2617 32.195 -13.966 13.708 1.00 0.00 O ATOM 56189 O2P U B2617 30.139 -14.227 15.121 1.00 0.00 O ATOM 56190 O5* U B2617 31.124 -11.937 14.752 1.00 0.00 O ATOM 56191 C5* U B2617 31.769 -10.942 13.934 1.00 0.00 C ATOM 56192 C4* U B2617 31.763 -9.603 14.647 1.00 0.00 C ATOM 56193 O4* U B2617 30.392 -9.121 14.731 1.00 0.00 O ATOM 56194 C3* U B2617 32.239 -9.622 16.098 1.00 0.00 C ATOM 56195 O3* U B2617 33.627 -9.541 16.182 1.00 0.00 O ATOM 56196 C2* U B2617 31.544 -8.390 16.676 1.00 0.00 C ATOM 56197 O2* U B2617 32.198 -7.201 16.264 1.00 0.00 O ATOM 56198 C1* U B2617 30.201 -8.427 15.953 1.00 0.00 C ATOM 56199 N1 U B2617 29.129 -9.128 16.716 1.00 0.00 N ATOM 56200 C2 U B2617 28.594 -8.465 17.794 1.00 0.00 C ATOM 56201 O2 U B2617 28.958 -7.350 18.136 1.00 0.00 O ATOM 56202 N3 U B2617 27.603 -9.142 18.476 1.00 0.00 N ATOM 56203 C4 U B2617 27.120 -10.400 18.180 1.00 0.00 C ATOM 56204 O4 U B2617 26.230 -10.908 18.866 1.00 0.00 O ATOM 56205 C5 U B2617 27.743 -11.017 17.031 1.00 0.00 C ATOM 56206 C6 U B2617 28.707 -10.380 16.350 1.00 0.00 C ATOM 56207 P G B2618 35.358 -9.655 17.055 1.00 0.00 P ATOM 56208 O1P G B2618 36.730 -9.382 16.574 1.00 0.00 O ATOM 56209 O2P G B2618 35.169 -10.930 17.782 1.00 0.00 O ATOM 56210 O5* G B2618 34.850 -8.437 17.960 1.00 0.00 O ATOM 56211 C5* G B2618 34.861 -7.107 17.411 1.00 0.00 C ATOM 56212 C4* G B2618 34.224 -6.135 18.388 1.00 0.00 C ATOM 56213 O4* G B2618 32.805 -6.440 18.495 1.00 0.00 O ATOM 56214 C3* G B2618 34.726 -6.219 19.828 1.00 0.00 C ATOM 56215 O3* G B2618 35.892 -5.474 20.007 1.00 0.00 O ATOM 56216 C2* G B2618 33.544 -5.655 20.614 1.00 0.00 C ATOM 56217 O2* G B2618 33.491 -4.245 20.500 1.00 0.00 O ATOM 56218 C1* G B2618 32.361 -6.210 19.825 1.00 0.00 C ATOM 56219 N9 G B2618 31.834 -7.496 20.359 1.00 0.00 N ATOM 56220 C8 G B2618 31.973 -8.772 19.856 1.00 0.00 C ATOM 56221 N7 G B2618 31.379 -9.695 20.576 1.00 0.00 N ATOM 56222 C5 G B2618 30.811 -8.980 21.630 1.00 0.00 C ATOM 56223 C6 G B2618 30.042 -9.435 22.731 1.00 0.00 C ATOM 56224 O6 G B2618 29.697 -10.581 23.011 1.00 0.00 O ATOM 56225 N1 G B2618 29.662 -8.375 23.563 1.00 0.00 N ATOM 56226 C2 G B2618 29.986 -7.047 23.359 1.00 0.00 C ATOM 56227 N2 G B2618 29.528 -6.185 24.269 1.00 0.00 N ATOM 56228 N3 G B2618 30.708 -6.621 22.326 1.00 0.00 N ATOM 56229 C4 G B2618 31.082 -7.638 21.506 1.00 0.00 C ATOM 56230 P C B2619 37.013 -6.008 21.067 1.00 0.00 P ATOM 56231 O1P C B2619 38.299 -5.311 20.848 1.00 0.00 O ATOM 56232 O2P C B2619 37.067 -7.487 21.021 1.00 0.00 O ATOM 56233 O5* C B2619 36.365 -5.534 22.453 1.00 0.00 O ATOM 56234 C5* C B2619 36.138 -4.128 22.670 1.00 0.00 C ATOM 56235 C4* C B2619 35.411 -3.919 23.983 1.00 0.00 C ATOM 56236 O4* C B2619 34.063 -4.457 23.864 1.00 0.00 O ATOM 56237 C3* C B2619 35.995 -4.649 25.192 1.00 0.00 C ATOM 56238 O3* C B2619 37.034 -3.926 25.772 1.00 0.00 O ATOM 56239 C2* C B2619 34.779 -4.775 26.109 1.00 0.00 C ATOM 56240 O2* C B2619 34.496 -3.536 26.739 1.00 0.00 O ATOM 56241 C1* C B2619 33.660 -5.023 25.102 1.00 0.00 C ATOM 56242 N1 C B2619 33.369 -6.467 24.876 1.00 0.00 N ATOM 56243 C2 C B2619 32.691 -7.156 25.874 1.00 0.00 C ATOM 56244 O2 C B2619 32.359 -6.549 26.897 1.00 0.00 O ATOM 56245 N3 C B2619 32.415 -8.473 25.689 1.00 0.00 N ATOM 56246 C4 C B2619 32.792 -9.095 24.565 1.00 0.00 C ATOM 56247 N4 C B2619 32.500 -10.381 24.431 1.00 0.00 N ATOM 56248 C5 C B2619 33.491 -8.404 23.524 1.00 0.00 C ATOM 56249 C6 C B2619 33.757 -7.089 23.731 1.00 0.00 C ATOM 56250 P C B2620 38.280 -4.742 26.443 1.00 0.00 P ATOM 56251 O1P C B2620 39.426 -3.838 26.666 1.00 0.00 O ATOM 56252 O2P C B2620 38.563 -5.956 25.644 1.00 0.00 O ATOM 56253 O5* C B2620 37.639 -5.163 27.850 1.00 0.00 O ATOM 56254 C5* C B2620 37.203 -4.130 28.752 1.00 0.00 C ATOM 56255 C4* C B2620 36.523 -4.748 29.955 1.00 0.00 C ATOM 56256 O4* C B2620 35.272 -5.356 29.527 1.00 0.00 O ATOM 56257 C3* C B2620 37.275 -5.893 30.634 1.00 0.00 C ATOM 56258 O3* C B2620 38.215 -5.419 31.545 1.00 0.00 O ATOM 56259 C2* C B2620 36.144 -6.667 31.309 1.00 0.00 C ATOM 56260 O2* C B2620 35.703 -5.995 32.478 1.00 0.00 O ATOM 56261 C1* C B2620 35.025 -6.536 30.277 1.00 0.00 C ATOM 56262 N1 C B2620 34.956 -7.681 29.327 1.00 0.00 N ATOM 56263 C2 C B2620 34.445 -8.886 29.801 1.00 0.00 C ATOM 56264 O2 C B2620 34.077 -8.957 30.978 1.00 0.00 O ATOM 56265 N3 C B2620 34.372 -9.943 28.947 1.00 0.00 N ATOM 56266 C4 C B2620 34.785 -9.826 27.680 1.00 0.00 C ATOM 56267 N4 C B2620 34.689 -10.884 26.888 1.00 0.00 N ATOM 56268 C5 C B2620 35.310 -8.593 27.174 1.00 0.00 C ATOM 56269 C6 C B2620 35.376 -7.553 28.041 1.00 0.00 C ATOM 56270 P G B2621 39.606 -6.251 31.742 1.00 0.00 P ATOM 56271 O1P G B2621 40.607 -5.417 32.446 1.00 0.00 O ATOM 56272 O2P G B2621 40.035 -6.812 30.441 1.00 0.00 O ATOM 56273 O5* G B2621 39.113 -7.431 32.704 1.00 0.00 O ATOM 56274 C5* G B2621 38.570 -7.097 33.995 1.00 0.00 C ATOM 56275 C4* G B2621 38.055 -8.350 34.678 1.00 0.00 C ATOM 56276 O4* G B2621 36.895 -8.842 33.948 1.00 0.00 O ATOM 56277 C3* G B2621 39.013 -9.541 34.695 1.00 0.00 C ATOM 56278 O3* G B2621 39.914 -9.458 35.754 1.00 0.00 O ATOM 56279 C2* G B2621 38.055 -10.721 34.828 1.00 0.00 C ATOM 56280 O2* G B2621 37.577 -10.832 36.159 1.00 0.00 O ATOM 56281 C1* G B2621 36.878 -10.261 33.972 1.00 0.00 C ATOM 56282 N9 G B2621 36.941 -10.745 32.564 1.00 0.00 N ATOM 56283 C8 G B2621 37.250 -10.046 31.417 1.00 0.00 C ATOM 56284 N7 G B2621 37.214 -10.774 30.325 1.00 0.00 N ATOM 56285 C5 G B2621 36.854 -12.041 30.783 1.00 0.00 C ATOM 56286 C6 G B2621 36.656 -13.248 30.065 1.00 0.00 C ATOM 56287 O6 G B2621 36.758 -13.455 28.859 1.00 0.00 O ATOM 56288 N1 G B2621 36.300 -14.299 30.921 1.00 0.00 N ATOM 56289 C2 G B2621 36.152 -14.199 32.291 1.00 0.00 C ATOM 56290 N2 G B2621 35.807 -15.318 32.929 1.00 0.00 N ATOM 56291 N3 G B2621 36.339 -13.065 32.961 1.00 0.00 N ATOM 56292 C4 G B2621 36.684 -12.033 32.147 1.00 0.00 C ATOM 56293 P U B2622 41.427 -10.038 35.545 1.00 0.00 P ATOM 56294 O1P U B2622 42.318 -9.538 36.618 1.00 0.00 O ATOM 56295 O2P U B2622 41.871 -9.766 34.159 1.00 0.00 O ATOM 56296 O5* U B2622 41.175 -11.606 35.739 1.00 0.00 O ATOM 56297 C5* U B2622 40.652 -12.080 36.992 1.00 0.00 C ATOM 56298 C4* U B2622 40.379 -13.568 36.911 1.00 0.00 C ATOM 56299 O4* U B2622 39.273 -13.793 35.988 1.00 0.00 O ATOM 56300 C3* U B2622 41.512 -14.424 36.343 1.00 0.00 C ATOM 56301 O3* U B2622 42.441 -14.757 37.327 1.00 0.00 O ATOM 56302 C2* U B2622 40.759 -15.642 35.813 1.00 0.00 C ATOM 56303 O2* U B2622 40.372 -16.498 36.873 1.00 0.00 O ATOM 56304 C1* U B2622 39.482 -15.001 35.273 1.00 0.00 C ATOM 56305 N1 U B2622 39.545 -14.672 33.823 1.00 0.00 N ATOM 56306 C2 U B2622 39.459 -15.720 32.938 1.00 0.00 C ATOM 56307 O2 U B2622 39.335 -16.879 33.294 1.00 0.00 O ATOM 56308 N3 U B2622 39.522 -15.378 31.602 1.00 0.00 N ATOM 56309 C4 U B2622 39.660 -14.103 31.089 1.00 0.00 C ATOM 56310 O4 U B2622 39.704 -13.920 29.871 1.00 0.00 O ATOM 56311 C5 U B2622 39.744 -13.071 32.096 1.00 0.00 C ATOM 56312 C6 U B2622 39.685 -13.374 33.400 1.00 0.00 C ATOM 56313 P G B2623 44.014 -14.893 36.906 1.00 0.00 P ATOM 56314 O1P G B2623 44.868 -14.879 38.112 1.00 0.00 O ATOM 56315 O2P G B2623 44.336 -13.879 35.876 1.00 0.00 O ATOM 56316 O5* G B2623 44.023 -16.353 36.248 1.00 0.00 O ATOM 56317 C5* G B2623 43.649 -17.484 37.057 1.00 0.00 C ATOM 56318 C4* G B2623 43.605 -18.736 36.207 1.00 0.00 C ATOM 56319 O4* G B2623 42.503 -18.629 35.261 1.00 0.00 O ATOM 56320 C3* G B2623 44.828 -18.982 35.325 1.00 0.00 C ATOM 56321 O3* G B2623 45.850 -19.619 36.026 1.00 0.00 O ATOM 56322 C2* G B2623 44.249 -19.854 34.210 1.00 0.00 C ATOM 56323 O2* G B2623 44.058 -21.183 34.660 1.00 0.00 O ATOM 56324 C1* G B2623 42.862 -19.242 34.032 1.00 0.00 C ATOM 56325 N9 G B2623 42.798 -18.205 32.965 1.00 0.00 N ATOM 56326 C8 G B2623 42.708 -16.836 33.086 1.00 0.00 C ATOM 56327 N7 G B2623 42.672 -16.201 31.937 1.00 0.00 N ATOM 56328 C5 G B2623 42.740 -17.225 30.991 1.00 0.00 C ATOM 56329 C6 G B2623 42.741 -17.159 29.574 1.00 0.00 C ATOM 56330 O6 G B2623 42.678 -16.169 28.849 1.00 0.00 O ATOM 56331 N1 G B2623 42.828 -18.435 29.003 1.00 0.00 N ATOM 56332 C2 G B2623 42.903 -19.621 29.707 1.00 0.00 C ATOM 56333 N2 G B2623 42.979 -20.734 28.976 1.00 0.00 N ATOM 56334 N3 G B2623 42.903 -19.681 31.038 1.00 0.00 N ATOM 56335 C4 G B2623 42.821 -18.449 31.609 1.00 0.00 C ATOM 56336 P G B2624 47.398 -19.263 35.655 1.00 0.00 P ATOM 56337 O1P G B2624 48.303 -19.737 36.724 1.00 0.00 O ATOM 56338 O2P G B2624 47.504 -17.827 35.312 1.00 0.00 O ATOM 56339 O5* G B2624 47.604 -20.150 34.339 1.00 0.00 O ATOM 56340 C5* G B2624 47.454 -21.579 34.431 1.00 0.00 C ATOM 56341 C4* G B2624 47.567 -22.202 33.054 1.00 0.00 C ATOM 56342 O4* G B2624 46.411 -21.799 32.258 1.00 0.00 O ATOM 56343 C3* G B2624 48.764 -21.755 32.217 1.00 0.00 C ATOM 56344 O3* G B2624 49.906 -22.488 32.529 1.00 0.00 O ATOM 56345 C2* G B2624 48.272 -22.007 30.793 1.00 0.00 C ATOM 56346 O2* G B2624 48.316 -23.388 30.483 1.00 0.00 O ATOM 56347 C1* G B2624 46.802 -21.623 30.906 1.00 0.00 C ATOM 56348 N9 G B2624 46.518 -20.211 30.524 1.00 0.00 N ATOM 56349 C8 G B2624 46.220 -19.134 31.332 1.00 0.00 C ATOM 56350 N7 G B2624 46.024 -18.015 30.677 1.00 0.00 N ATOM 56351 C5 G B2624 46.206 -18.376 29.344 1.00 0.00 C ATOM 56352 C6 G B2624 46.122 -17.591 28.165 1.00 0.00 C ATOM 56353 O6 G B2624 45.865 -16.396 28.054 1.00 0.00 O ATOM 56354 N1 G B2624 46.377 -18.357 27.021 1.00 0.00 N ATOM 56355 C2 G B2624 46.675 -19.705 27.014 1.00 0.00 C ATOM 56356 N2 G B2624 46.886 -20.251 25.814 1.00 0.00 N ATOM 56357 N3 G B2624 46.753 -20.440 28.117 1.00 0.00 N ATOM 56358 C4 G B2624 46.507 -19.713 29.241 1.00 0.00 C ATOM 56359 P G B2625 51.361 -21.748 32.454 1.00 0.00 P ATOM 56360 O1P G B2625 52.384 -22.552 33.156 1.00 0.00 O ATOM 56361 O2P G B2625 51.221 -20.345 32.908 1.00 0.00 O ATOM 56362 O5* G B2625 51.635 -21.784 30.875 1.00 0.00 O ATOM 56363 C5* G B2625 51.713 -23.057 30.210 1.00 0.00 C ATOM 56364 C4* G B2625 51.852 -22.853 28.715 1.00 0.00 C ATOM 56365 O4* G B2625 50.613 -22.291 28.199 1.00 0.00 O ATOM 56366 C3* G B2625 52.921 -21.850 28.276 1.00 0.00 C ATOM 56367 O3* G B2625 54.181 -22.442 28.206 1.00 0.00 O ATOM 56368 C2* G B2625 52.402 -21.409 26.908 1.00 0.00 C ATOM 56369 O2* G B2625 52.647 -22.404 25.930 1.00 0.00 O ATOM 56370 C1* G B2625 50.897 -21.382 27.148 1.00 0.00 C ATOM 56371 N9 G B2625 50.379 -20.043 27.543 1.00 0.00 N ATOM 56372 C8 G B2625 49.955 -19.601 28.779 1.00 0.00 C ATOM 56373 N7 G B2625 49.551 -18.352 28.791 1.00 0.00 N ATOM 56374 C5 G B2625 49.716 -17.939 27.469 1.00 0.00 C ATOM 56375 C6 G B2625 49.452 -16.683 26.867 1.00 0.00 C ATOM 56376 O6 G B2625 49.005 -15.659 27.380 1.00 0.00 O ATOM 56377 N1 G B2625 49.763 -16.693 25.500 1.00 0.00 N ATOM 56378 C2 G B2625 50.269 -17.777 24.806 1.00 0.00 C ATOM 56379 N2 G B2625 50.503 -17.585 23.508 1.00 0.00 N ATOM 56380 N3 G B2625 50.518 -18.955 25.375 1.00 0.00 N ATOM 56381 C4 G B2625 50.220 -18.962 26.702 1.00 0.00 C ATOM 56382 P C B2626 55.187 -22.376 29.787 1.00 0.00 P ATOM 56383 O1P C B2626 56.589 -22.051 29.438 1.00 0.00 O ATOM 56384 O2P C B2626 54.986 -23.640 30.527 1.00 0.00 O ATOM 56385 O5* C B2626 54.469 -20.977 30.784 1.00 0.00 O ATOM 56386 C5* C B2626 54.587 -20.384 32.155 1.00 0.00 C ATOM 56387 C4* C B2626 56.091 -20.097 32.816 1.00 0.00 C ATOM 56388 O4* C B2626 56.989 -19.449 31.868 1.00 0.00 O ATOM 56389 C3* C B2626 56.436 -19.442 34.154 1.00 0.00 C ATOM 56390 O3* C B2626 55.707 -19.311 35.531 1.00 0.00 O ATOM 56391 C2* C B2626 57.943 -19.239 34.035 1.00 0.00 C ATOM 56392 O2* C B2626 58.635 -20.460 34.226 1.00 0.00 O ATOM 56393 C1* C B2626 58.089 -18.877 32.556 1.00 0.00 C ATOM 56394 N1 C B2626 59.504 -19.425 31.838 1.00 0.00 N ATOM 56395 C2 C B2626 60.710 -18.941 32.332 1.00 0.00 C ATOM 56396 O2 C B2626 60.689 -18.149 33.284 1.00 0.00 O ATOM 56397 N3 C B2626 61.865 -19.359 31.757 1.00 0.00 N ATOM 56398 C4 C B2626 61.845 -20.217 30.732 1.00 0.00 C ATOM 56399 N4 C B2626 62.996 -20.594 30.204 1.00 0.00 N ATOM 56400 C5 C B2626 60.614 -20.724 30.207 1.00 0.00 C ATOM 56401 C6 C B2626 59.469 -20.296 30.797 1.00 0.00 C ATOM 56402 P G B2627 55.991 -20.476 36.968 1.00 0.00 P ATOM 56403 O1P G B2627 57.129 -21.382 36.687 1.00 0.00 O ATOM 56404 O2P G B2627 54.699 -21.138 37.250 1.00 0.00 O ATOM 56405 O5* G B2627 56.434 -19.395 38.433 1.00 0.00 O ATOM 56406 C5* G B2627 56.850 -18.618 39.652 1.00 0.00 C ATOM 56407 C4* G B2627 57.075 -19.205 41.212 1.00 0.00 C ATOM 56408 O4* G B2627 57.619 -20.521 41.519 1.00 0.00 O ATOM 56409 C3* G B2627 56.494 -18.727 42.540 1.00 0.00 C ATOM 56410 O3* G B2627 56.988 -17.585 43.527 1.00 0.00 O ATOM 56411 C2* G B2627 55.951 -20.024 43.136 1.00 0.00 C ATOM 56412 O2* G B2627 54.738 -20.402 42.512 1.00 0.00 O ATOM 56413 C1* G B2627 57.012 -21.031 42.694 1.00 0.00 C ATOM 56414 N9 G B2627 58.250 -21.331 43.860 1.00 0.00 N ATOM 56415 C8 G B2627 59.517 -21.831 43.673 1.00 0.00 C ATOM 56416 N7 G B2627 60.260 -21.831 44.756 1.00 0.00 N ATOM 56417 C5 G B2627 59.421 -21.296 45.731 1.00 0.00 C ATOM 56418 C6 G B2627 59.659 -21.051 47.109 1.00 0.00 C ATOM 56419 O6 G B2627 60.680 -21.257 47.759 1.00 0.00 O ATOM 56420 N1 G B2627 58.532 -20.498 47.732 1.00 0.00 N ATOM 56421 C2 G B2627 57.331 -20.222 47.104 1.00 0.00 C ATOM 56422 N2 G B2627 56.374 -19.695 47.879 1.00 0.00 N ATOM 56423 N3 G B2627 57.107 -20.453 45.815 1.00 0.00 N ATOM 56424 C4 G B2627 58.192 -20.991 45.196 1.00 0.00 C ATOM 56425 P C B2628 55.758 -16.959 44.781 1.00 0.00 P ATOM 56426 O1P C B2628 54.709 -17.977 45.028 1.00 0.00 O ATOM 56427 O2P C B2628 55.271 -15.626 44.359 1.00 0.00 O ATOM 56428 O5* C B2628 56.780 -16.776 46.318 1.00 0.00 O ATOM 56429 C5* C B2628 56.898 -16.192 47.678 1.00 0.00 C ATOM 56430 C4* C B2628 58.387 -15.551 47.887 1.00 0.00 C ATOM 56431 O4* C B2628 58.928 -15.303 46.555 1.00 0.00 O ATOM 56432 C3* C B2628 58.975 -14.419 48.733 1.00 0.00 C ATOM 56433 O3* C B2628 58.851 -14.250 50.320 1.00 0.00 O ATOM 56434 C2* C B2628 60.367 -14.256 48.130 1.00 0.00 C ATOM 56435 O2* C B2628 61.229 -15.295 48.561 1.00 0.00 O ATOM 56436 C1* C B2628 60.091 -14.496 46.649 1.00 0.00 C ATOM 56437 N1 C B2628 59.833 -13.061 45.722 1.00 0.00 N ATOM 56438 C2 C B2628 60.849 -12.653 44.858 1.00 0.00 C ATOM 56439 O2 C B2628 61.869 -13.349 44.770 1.00 0.00 O ATOM 56440 N3 C B2628 60.689 -11.505 44.152 1.00 0.00 N ATOM 56441 C4 C B2628 59.570 -10.782 44.279 1.00 0.00 C ATOM 56442 N4 C B2628 59.462 -9.670 43.574 1.00 0.00 N ATOM 56443 C5 C B2628 58.513 -11.180 45.156 1.00 0.00 C ATOM 56444 C6 C B2628 58.696 -12.333 45.855 1.00 0.00 C ATOM 56445 P U B2629 59.947 -13.014 51.247 1.00 0.00 P ATOM 56446 O1P U B2629 59.908 -11.724 50.518 1.00 0.00 O ATOM 56447 O2P U B2629 61.287 -13.617 51.413 1.00 0.00 O ATOM 56448 O5* U B2629 59.231 -12.656 52.955 1.00 0.00 O ATOM 56449 C5* U B2629 58.841 -12.171 54.338 1.00 0.00 C ATOM 56450 C4* U B2629 59.585 -10.978 55.231 1.00 0.00 C ATOM 56451 O4* U B2629 59.580 -9.725 54.492 1.00 0.00 O ATOM 56452 C3* U B2629 59.502 -10.540 56.690 1.00 0.00 C ATOM 56453 O3* U B2629 58.975 -11.199 58.051 1.00 0.00 O ATOM 56454 C2* U B2629 60.339 -9.264 56.691 1.00 0.00 C ATOM 56455 O2* U B2629 61.718 -9.567 56.656 1.00 0.00 O ATOM 56456 C1* U B2629 59.978 -8.660 55.339 1.00 0.00 C ATOM 56457 N1 U B2629 58.727 -7.521 55.387 1.00 0.00 N ATOM 56458 C2 U B2629 59.037 -6.270 55.864 1.00 0.00 C ATOM 56459 O2 U B2629 60.172 -5.936 56.169 1.00 0.00 O ATOM 56460 N3 U B2629 57.974 -5.397 55.979 1.00 0.00 N ATOM 56461 C4 U B2629 56.656 -5.665 55.665 1.00 0.00 C ATOM 56462 O4 U B2629 55.788 -4.801 55.813 1.00 0.00 O ATOM 56463 C5 U B2629 56.428 -7.003 55.174 1.00 0.00 C ATOM 56464 C6 U B2629 57.444 -7.871 55.055 1.00 0.00 C ATOM 56465 P G B2630 60.127 -11.732 59.388 1.00 0.00 P ATOM 56466 O1P G B2630 59.744 -12.507 60.587 1.00 0.00 O ATOM 56467 O2P G B2630 61.090 -10.631 59.612 1.00 0.00 O ATOM 56468 O5* G B2630 60.688 -12.719 58.258 1.00 0.00 O ATOM 56469 C5* G B2630 61.170 -12.159 57.023 1.00 0.00 C ATOM 56470 C4* G B2630 61.766 -13.252 56.157 1.00 0.00 C ATOM 56471 O4* G B2630 62.981 -13.746 56.792 1.00 0.00 O ATOM 56472 C3* G B2630 60.906 -14.504 55.983 1.00 0.00 C ATOM 56473 O3* G B2630 59.975 -14.345 54.957 1.00 0.00 O ATOM 56474 C2* G B2630 61.956 -15.569 55.666 1.00 0.00 C ATOM 56475 O2* G B2630 62.408 -15.448 54.325 1.00 0.00 O ATOM 56476 C1* G B2630 63.111 -15.139 56.561 1.00 0.00 C ATOM 56477 N9 G B2630 63.125 -15.823 57.885 1.00 0.00 N ATOM 56478 C8 G B2630 62.791 -15.328 59.125 1.00 0.00 C ATOM 56479 N7 G B2630 62.915 -16.199 60.100 1.00 0.00 N ATOM 56480 C5 G B2630 63.363 -17.351 59.460 1.00 0.00 C ATOM 56481 C6 G B2630 63.677 -18.629 59.990 1.00 0.00 C ATOM 56482 O6 G B2630 63.623 -19.012 61.154 1.00 0.00 O ATOM 56483 N1 G B2630 64.095 -19.512 58.987 1.00 0.00 N ATOM 56484 C2 G B2630 64.196 -19.203 57.643 1.00 0.00 C ATOM 56485 N2 G B2630 64.614 -20.186 56.844 1.00 0.00 N ATOM 56486 N3 G B2630 63.901 -18.006 57.148 1.00 0.00 N ATOM 56487 C4 G B2630 63.493 -17.135 58.107 1.00 0.00 C ATOM 56488 P G B2631 58.519 -15.076 55.103 1.00 0.00 P ATOM 56489 O1P G B2631 57.564 -14.502 54.128 1.00 0.00 O ATOM 56490 O2P G B2631 58.094 -15.045 56.519 1.00 0.00 O ATOM 56491 O5* G B2631 58.892 -16.572 54.681 1.00 0.00 O ATOM 56492 C5* G B2631 59.418 -16.817 53.363 1.00 0.00 C ATOM 56493 C4* G B2631 59.812 -18.273 53.225 1.00 0.00 C ATOM 56494 O4* G B2631 60.956 -18.535 54.089 1.00 0.00 O ATOM 56495 C3* G B2631 58.769 -19.293 53.676 1.00 0.00 C ATOM 56496 O3* G B2631 57.843 -19.557 52.669 1.00 0.00 O ATOM 56497 C2* G B2631 59.632 -20.506 54.014 1.00 0.00 C ATOM 56498 O2* G B2631 60.057 -21.166 52.834 1.00 0.00 O ATOM 56499 C1* G B2631 60.864 -19.847 54.624 1.00 0.00 C ATOM 56500 N9 G B2631 60.814 -19.733 56.109 1.00 0.00 N ATOM 56501 C8 G B2631 60.593 -18.623 56.889 1.00 0.00 C ATOM 56502 N7 G B2631 60.611 -18.866 58.178 1.00 0.00 N ATOM 56503 C5 G B2631 60.857 -20.238 58.257 1.00 0.00 C ATOM 56504 C6 G B2631 60.987 -21.080 59.388 1.00 0.00 C ATOM 56505 O6 G B2631 60.910 -20.789 60.577 1.00 0.00 O ATOM 56506 N1 G B2631 61.238 -22.406 59.013 1.00 0.00 N ATOM 56507 C2 G B2631 61.348 -22.859 57.711 1.00 0.00 C ATOM 56508 N2 G B2631 61.587 -24.163 57.562 1.00 0.00 N ATOM 56509 N3 G B2631 61.225 -22.067 56.650 1.00 0.00 N ATOM 56510 C4 G B2631 60.984 -20.774 56.998 1.00 0.00 C ATOM 56511 P A B2632 56.299 -19.883 53.087 1.00 0.00 P ATOM 56512 O1P A B2632 55.412 -19.770 51.910 1.00 0.00 O ATOM 56513 O2P A B2632 55.921 -19.058 54.259 1.00 0.00 O ATOM 56514 O5* A B2632 56.423 -21.418 53.524 1.00 0.00 O ATOM 56515 C5* A B2632 56.870 -22.384 52.557 1.00 0.00 C ATOM 56516 C4* A B2632 57.033 -23.740 53.216 1.00 0.00 C ATOM 56517 O4* A B2632 58.146 -23.678 54.153 1.00 0.00 O ATOM 56518 C3* A B2632 55.857 -24.213 54.073 1.00 0.00 C ATOM 56519 O3* A B2632 54.872 -24.821 53.299 1.00 0.00 O ATOM 56520 C2* A B2632 56.533 -25.182 55.039 1.00 0.00 C ATOM 56521 O2* A B2632 56.818 -26.413 54.396 1.00 0.00 O ATOM 56522 C1* A B2632 57.869 -24.489 55.282 1.00 0.00 C ATOM 56523 N9 A B2632 57.877 -23.616 56.489 1.00 0.00 N ATOM 56524 C8 A B2632 57.853 -22.239 56.566 1.00 0.00 C ATOM 56525 N7 A B2632 57.869 -21.779 57.778 1.00 0.00 N ATOM 56526 C5 A B2632 57.908 -22.917 58.569 1.00 0.00 C ATOM 56527 C6 A B2632 57.939 -23.103 59.960 1.00 0.00 C ATOM 56528 N6 A B2632 57.939 -22.094 60.842 1.00 0.00 N ATOM 56529 N1 A B2632 57.973 -24.368 60.416 1.00 0.00 N ATOM 56530 C2 A B2632 57.973 -25.369 59.535 1.00 0.00 C ATOM 56531 N3 A B2632 57.947 -25.318 58.220 1.00 0.00 N ATOM 56532 C4 A B2632 57.912 -24.040 57.790 1.00 0.00 C ATOM 56533 P G B2633 53.308 -24.654 53.738 1.00 0.00 P ATOM 56534 O1P G B2633 52.418 -25.045 52.624 1.00 0.00 O ATOM 56535 O2P G B2633 53.097 -23.299 54.289 1.00 0.00 O ATOM 56536 O5* G B2633 53.211 -25.737 54.915 1.00 0.00 O ATOM 56537 C5* G B2633 53.474 -27.118 54.615 1.00 0.00 C ATOM 56538 C4* G B2633 53.449 -27.942 55.887 1.00 0.00 C ATOM 56539 O4* G B2633 54.584 -27.562 56.717 1.00 0.00 O ATOM 56540 C3* G B2633 52.240 -27.718 56.797 1.00 0.00 C ATOM 56541 O3* G B2633 51.152 -28.493 56.399 1.00 0.00 O ATOM 56542 C2* G B2633 52.788 -28.131 58.163 1.00 0.00 C ATOM 56543 O2* G B2633 52.861 -29.542 58.270 1.00 0.00 O ATOM 56544 C1* G B2633 54.222 -27.616 58.087 1.00 0.00 C ATOM 56545 N9 G B2633 54.397 -26.252 58.664 1.00 0.00 N ATOM 56546 C8 G B2633 54.586 -25.051 58.017 1.00 0.00 C ATOM 56547 N7 G B2633 54.711 -24.025 58.823 1.00 0.00 N ATOM 56548 C5 G B2633 54.593 -24.585 60.094 1.00 0.00 C ATOM 56549 C6 G B2633 54.642 -23.973 61.372 1.00 0.00 C ATOM 56550 O6 G B2633 54.805 -22.788 61.652 1.00 0.00 O ATOM 56551 N1 G B2633 54.481 -24.915 62.399 1.00 0.00 N ATOM 56552 C2 G B2633 54.292 -26.270 62.215 1.00 0.00 C ATOM 56553 N2 G B2633 54.157 -27.000 63.325 1.00 0.00 N ATOM 56554 N3 G B2633 54.245 -26.846 61.014 1.00 0.00 N ATOM 56555 C4 G B2633 54.402 -25.944 60.007 1.00 0.00 C ATOM 56556 P A B2634 49.647 -27.895 56.602 1.00 0.00 P ATOM 56557 O1P A B2634 48.675 -28.673 55.803 1.00 0.00 O ATOM 56558 O2P A B2634 49.660 -26.436 56.356 1.00 0.00 O ATOM 56559 O5* A B2634 49.417 -28.178 58.160 1.00 0.00 O ATOM 56560 C5* A B2634 49.458 -29.538 58.636 1.00 0.00 C ATOM 56561 C4* A B2634 49.343 -29.562 60.147 1.00 0.00 C ATOM 56562 O4* A B2634 50.546 -28.977 60.720 1.00 0.00 O ATOM 56563 C3* A B2634 48.209 -28.728 60.741 1.00 0.00 C ATOM 56564 O3* A B2634 47.003 -29.427 60.742 1.00 0.00 O ATOM 56565 C2* A B2634 48.725 -28.441 62.150 1.00 0.00 C ATOM 56566 O2* A B2634 48.586 -29.585 62.978 1.00 0.00 O ATOM 56567 C1* A B2634 50.218 -28.256 61.897 1.00 0.00 C ATOM 56568 N9 A B2634 50.618 -26.834 61.693 1.00 0.00 N ATOM 56569 C8 A B2634 50.969 -26.192 60.527 1.00 0.00 C ATOM 56570 N7 A B2634 51.271 -24.938 60.688 1.00 0.00 N ATOM 56571 C5 A B2634 51.107 -24.726 62.049 1.00 0.00 C ATOM 56572 C6 A B2634 51.270 -23.590 62.858 1.00 0.00 C ATOM 56573 N6 A B2634 51.657 -22.395 62.381 1.00 0.00 N ATOM 56574 N1 A B2634 51.027 -23.723 64.172 1.00 0.00 N ATOM 56575 C2 A B2634 50.647 -24.910 64.637 1.00 0.00 C ATOM 56576 N3 A B2634 50.458 -26.038 63.983 1.00 0.00 N ATOM 56577 C4 A B2634 50.710 -25.876 62.668 1.00 0.00 C ATOM 56578 P A B2635 45.615 -28.599 60.523 1.00 0.00 P ATOM 56579 O1P A B2635 44.511 -29.529 60.190 1.00 0.00 O ATOM 56580 O2P A B2635 45.842 -27.501 59.556 1.00 0.00 O ATOM 56581 O5* A B2635 45.389 -27.993 61.988 1.00 0.00 O ATOM 56582 C5* A B2635 45.236 -28.894 63.098 1.00 0.00 C ATOM 56583 C4* A B2635 45.161 -28.112 64.395 1.00 0.00 C ATOM 56584 O4* A B2635 46.457 -27.498 64.646 1.00 0.00 O ATOM 56585 C3* A B2635 44.185 -26.935 64.407 1.00 0.00 C ATOM 56586 O3* A B2635 42.890 -27.349 64.702 1.00 0.00 O ATOM 56587 C2* A B2635 44.780 -26.037 65.489 1.00 0.00 C ATOM 56588 O2* A B2635 44.494 -26.547 66.778 1.00 0.00 O ATOM 56589 C1* A B2635 46.278 -26.231 65.260 1.00 0.00 C ATOM 56590 N9 A B2635 46.882 -25.198 64.371 1.00 0.00 N ATOM 56591 C8 A B2635 47.295 -25.315 63.061 1.00 0.00 C ATOM 56592 N7 A B2635 47.785 -24.221 62.567 1.00 0.00 N ATOM 56593 C5 A B2635 47.697 -23.309 63.609 1.00 0.00 C ATOM 56594 C6 A B2635 48.058 -21.956 63.718 1.00 0.00 C ATOM 56595 N6 A B2635 48.606 -21.254 62.714 1.00 0.00 N ATOM 56596 N1 A B2635 47.835 -21.350 64.897 1.00 0.00 N ATOM 56597 C2 A B2635 47.289 -22.051 65.889 1.00 0.00 C ATOM 56598 N3 A B2635 46.914 -23.314 65.902 1.00 0.00 N ATOM 56599 C4 A B2635 47.148 -23.898 64.712 1.00 0.00 C ATOM 56600 P C B2636 41.637 -26.566 64.009 1.00 0.00 P ATOM 56601 O1P C B2636 40.394 -27.359 64.147 1.00 0.00 O ATOM 56602 O2P C B2636 42.002 -26.179 62.627 1.00 0.00 O ATOM 56603 O5* C B2636 41.550 -25.259 64.933 1.00 0.00 O ATOM 56604 C5* C B2636 41.289 -25.417 66.338 1.00 0.00 C ATOM 56605 C4* C B2636 41.374 -24.074 67.036 1.00 0.00 C ATOM 56606 O4* C B2636 42.755 -23.611 67.003 1.00 0.00 O ATOM 56607 C3* C B2636 40.591 -22.932 66.379 1.00 0.00 C ATOM 56608 O3* C B2636 39.255 -22.938 66.776 1.00 0.00 O ATOM 56609 C2* C B2636 41.349 -21.702 66.871 1.00 0.00 C ATOM 56610 O2* C B2636 41.022 -21.418 68.220 1.00 0.00 O ATOM 56611 C1* C B2636 42.790 -22.201 66.859 1.00 0.00 C ATOM 56612 N1 C B2636 43.522 -21.883 65.600 1.00 0.00 N ATOM 56613 C2 C B2636 43.924 -20.567 65.398 1.00 0.00 C ATOM 56614 O2 C B2636 43.660 -19.722 66.262 1.00 0.00 O ATOM 56615 N3 C B2636 44.591 -20.257 64.256 1.00 0.00 N ATOM 56616 C4 C B2636 44.857 -21.198 63.343 1.00 0.00 C ATOM 56617 N4 C B2636 45.510 -20.846 62.247 1.00 0.00 N ATOM 56618 C5 C B2636 44.449 -22.562 63.533 1.00 0.00 C ATOM 56619 C6 C B2636 43.784 -22.851 64.680 1.00 0.00 C ATOM 56620 P U B2637 38.116 -22.459 65.708 1.00 0.00 P ATOM 56621 O1P U B2637 36.774 -22.875 66.169 1.00 0.00 O ATOM 56622 O2P U B2637 38.499 -22.906 64.350 1.00 0.00 O ATOM 56623 O5* U B2637 38.257 -20.866 65.814 1.00 0.00 O ATOM 56624 C5* U B2637 38.018 -20.230 67.081 1.00 0.00 C ATOM 56625 C4* U B2637 38.328 -18.748 66.985 1.00 0.00 C ATOM 56626 O4* U B2637 39.761 -18.579 66.793 1.00 0.00 O ATOM 56627 C3* U B2637 37.709 -18.019 65.790 1.00 0.00 C ATOM 56628 O3* U B2637 36.401 -17.622 66.058 1.00 0.00 O ATOM 56629 C2* U B2637 38.660 -16.835 65.616 1.00 0.00 C ATOM 56630 O2* U B2637 38.419 -15.847 66.601 1.00 0.00 O ATOM 56631 C1* U B2637 40.008 -17.472 65.942 1.00 0.00 C ATOM 56632 N1 U B2637 40.739 -17.966 64.744 1.00 0.00 N ATOM 56633 C2 U B2637 41.322 -17.021 63.932 1.00 0.00 C ATOM 56634 O2 U B2637 41.255 -15.827 64.155 1.00 0.00 O ATOM 56635 N3 U B2637 41.993 -17.518 62.833 1.00 0.00 N ATOM 56636 C4 U B2637 42.128 -18.848 62.485 1.00 0.00 C ATOM 56637 O4 U B2637 42.755 -19.171 61.475 1.00 0.00 O ATOM 56638 C5 U B2637 41.485 -19.761 63.396 1.00 0.00 C ATOM 56639 C6 U B2637 40.824 -19.309 64.476 1.00 0.00 C ATOM 56640 P G B2638 35.687 -17.179 64.401 1.00 0.00 P ATOM 56641 O1P G B2638 34.350 -16.572 64.599 1.00 0.00 O ATOM 56642 O2P G B2638 35.733 -18.359 63.510 1.00 0.00 O ATOM 56643 O5* G B2638 36.865 -15.900 63.785 1.00 0.00 O ATOM 56644 C5* G B2638 37.117 -15.287 62.478 1.00 0.00 C ATOM 56645 C4* G B2638 35.937 -14.277 61.933 1.00 0.00 C ATOM 56646 O4* G B2638 36.102 -13.241 60.924 1.00 0.00 O ATOM 56647 C3* G B2638 34.702 -13.827 62.722 1.00 0.00 C ATOM 56648 O3* G B2638 33.597 -14.701 63.336 1.00 0.00 O ATOM 56649 C2* G B2638 34.861 -12.310 62.725 1.00 0.00 C ATOM 56650 O2* G B2638 35.849 -11.908 63.657 1.00 0.00 O ATOM 56651 C1* G B2638 35.435 -12.056 61.331 1.00 0.00 C ATOM 56652 N9 G B2638 34.255 -11.653 60.125 1.00 0.00 N ATOM 56653 C8 G B2638 34.432 -11.405 58.785 1.00 0.00 C ATOM 56654 N7 G B2638 33.325 -11.087 58.149 1.00 0.00 N ATOM 56655 C5 G B2638 32.350 -11.132 59.142 1.00 0.00 C ATOM 56656 C6 G B2638 30.954 -10.880 59.067 1.00 0.00 C ATOM 56657 O6 G B2638 30.278 -10.564 58.090 1.00 0.00 O ATOM 56658 N1 G B2638 30.338 -11.041 60.311 1.00 0.00 N ATOM 56659 C2 G B2638 30.978 -11.392 61.482 1.00 0.00 C ATOM 56660 N2 G B2638 30.211 -11.486 62.572 1.00 0.00 N ATOM 56661 N3 G B2638 32.288 -11.627 61.554 1.00 0.00 N ATOM 56662 C4 G B2638 32.905 -11.479 60.352 1.00 0.00 C ATOM 56663 P A B2639 32.462 -15.633 62.211 1.00 0.00 P ATOM 56664 O1P A B2639 33.016 -15.743 60.840 1.00 0.00 O ATOM 56665 O2P A B2639 31.098 -15.075 62.311 1.00 0.00 O ATOM 56666 O5* A B2639 32.543 -17.273 63.049 1.00 0.00 O ATOM 56667 C5* A B2639 32.699 -18.697 63.383 1.00 0.00 C ATOM 56668 C4* A B2639 32.167 -19.122 64.904 1.00 0.00 C ATOM 56669 O4* A B2639 30.781 -18.773 65.179 1.00 0.00 O ATOM 56670 C3* A B2639 32.841 -19.065 66.274 1.00 0.00 C ATOM 56671 O3* A B2639 33.119 -20.329 67.208 1.00 0.00 O ATOM 56672 C2* A B2639 32.116 -17.901 66.940 1.00 0.00 C ATOM 56673 O2* A B2639 32.589 -16.663 66.440 1.00 0.00 O ATOM 56674 C1* A B2639 30.694 -18.081 66.415 1.00 0.00 C ATOM 56675 N9 A B2639 29.685 -18.939 67.425 1.00 0.00 N ATOM 56676 C8 A B2639 29.746 -20.273 67.762 1.00 0.00 C ATOM 56677 N7 A B2639 28.725 -20.687 68.447 1.00 0.00 N ATOM 56678 C5 A B2639 27.922 -19.560 68.574 1.00 0.00 C ATOM 56679 C6 A B2639 26.688 -19.343 69.196 1.00 0.00 C ATOM 56680 N6 A B2639 26.008 -20.300 69.845 1.00 0.00 N ATOM 56681 N1 A B2639 26.170 -18.101 69.138 1.00 0.00 N ATOM 56682 C2 A B2639 26.852 -17.154 68.497 1.00 0.00 C ATOM 56683 N3 A B2639 28.010 -17.242 67.882 1.00 0.00 N ATOM 56684 C4 A B2639 28.505 -18.491 67.954 1.00 0.00 C ATOM 56685 P G B2640 34.654 -20.650 68.193 1.00 0.00 P ATOM 56686 O1P G B2640 35.711 -19.613 68.157 1.00 0.00 O ATOM 56687 O2P G B2640 35.063 -22.005 67.765 1.00 0.00 O ATOM 56688 O5* G B2640 34.010 -20.714 69.657 1.00 0.00 O ATOM 56689 C5* G B2640 34.517 -21.676 70.600 1.00 0.00 C ATOM 56690 C4* G B2640 33.853 -21.478 71.948 1.00 0.00 C ATOM 56691 O4* G B2640 34.292 -20.207 72.507 1.00 0.00 O ATOM 56692 C3* G B2640 32.327 -21.367 71.931 1.00 0.00 C ATOM 56693 O3* G B2640 31.723 -22.619 71.934 1.00 0.00 O ATOM 56694 C2* G B2640 32.052 -20.575 73.209 1.00 0.00 C ATOM 56695 O2* G B2640 32.176 -21.406 74.352 1.00 0.00 O ATOM 56696 C1* G B2640 33.232 -19.608 73.232 1.00 0.00 C ATOM 56697 N9 G B2640 32.935 -18.290 72.605 1.00 0.00 N ATOM 56698 C8 G B2640 33.348 -17.790 71.389 1.00 0.00 C ATOM 56699 N7 G B2640 32.909 -16.582 71.132 1.00 0.00 N ATOM 56700 C5 G B2640 32.150 -16.256 72.255 1.00 0.00 C ATOM 56701 C6 G B2640 31.424 -15.077 72.556 1.00 0.00 C ATOM 56702 O6 G B2640 31.298 -14.058 71.884 1.00 0.00 O ATOM 56703 N1 G B2640 30.797 -15.169 73.809 1.00 0.00 N ATOM 56704 C2 G B2640 30.863 -16.258 74.654 1.00 0.00 C ATOM 56705 N2 G B2640 30.193 -16.147 75.804 1.00 0.00 N ATOM 56706 N3 G B2640 31.546 -17.365 74.370 1.00 0.00 N ATOM 56707 C4 G B2640 32.161 -17.292 73.161 1.00 0.00 C ATOM 56708 P G B2641 30.316 -22.813 71.127 1.00 0.00 P ATOM 56709 O1P G B2641 30.027 -24.253 70.938 1.00 0.00 O ATOM 56710 O2P G B2641 30.337 -21.993 69.896 1.00 0.00 O ATOM 56711 O5* G B2641 29.280 -22.190 72.176 1.00 0.00 O ATOM 56712 C5* G B2641 29.164 -22.784 73.481 1.00 0.00 C ATOM 56713 C4* G B2641 28.227 -21.964 74.343 1.00 0.00 C ATOM 56714 O4* G B2641 28.847 -20.676 74.623 1.00 0.00 O ATOM 56715 C3* G B2641 26.885 -21.595 73.708 1.00 0.00 C ATOM 56716 O3* G B2641 25.954 -22.621 73.850 1.00 0.00 O ATOM 56717 C2* G B2641 26.499 -20.337 74.479 1.00 0.00 C ATOM 56718 O2* G B2641 26.022 -20.666 75.771 1.00 0.00 O ATOM 56719 C1* G B2641 27.855 -19.660 74.667 1.00 0.00 C ATOM 56720 N9 G B2641 28.176 -18.660 73.612 1.00 0.00 N ATOM 56721 C8 G B2641 29.061 -18.757 72.560 1.00 0.00 C ATOM 56722 N7 G B2641 29.108 -17.687 71.803 1.00 0.00 N ATOM 56723 C5 G B2641 28.188 -16.820 72.395 1.00 0.00 C ATOM 56724 C6 G B2641 27.798 -15.507 72.025 1.00 0.00 C ATOM 56725 O6 G B2641 28.194 -14.822 71.086 1.00 0.00 O ATOM 56726 N1 G B2641 26.836 -14.990 72.904 1.00 0.00 N ATOM 56727 C2 G B2641 26.313 -15.659 73.994 1.00 0.00 C ATOM 56728 N2 G B2641 25.400 -14.993 74.706 1.00 0.00 N ATOM 56729 N3 G B2641 26.677 -16.890 74.338 1.00 0.00 N ATOM 56730 C4 G B2641 27.615 -17.407 73.500 1.00 0.00 C ATOM 56731 P G B2642 24.860 -22.859 72.662 1.00 0.00 P ATOM 56732 O1P G B2642 24.216 -24.183 72.817 1.00 0.00 O ATOM 56733 O2P G B2642 25.492 -22.597 71.350 1.00 0.00 O ATOM 56734 O5* G B2642 23.803 -21.703 72.992 1.00 0.00 O ATOM 56735 C5* G B2642 23.131 -21.714 74.265 1.00 0.00 C ATOM 56736 C4* G B2642 22.277 -20.469 74.411 1.00 0.00 C ATOM 56737 O4* G B2642 23.152 -19.307 74.508 1.00 0.00 O ATOM 56738 C3* G B2642 21.363 -20.147 73.229 1.00 0.00 C ATOM 56739 O3* G B2642 20.165 -20.851 73.301 1.00 0.00 O ATOM 56740 C2* G B2642 21.171 -18.639 73.377 1.00 0.00 C ATOM 56741 O2* G B2642 20.255 -18.349 74.420 1.00 0.00 O ATOM 56742 C1* G B2642 22.548 -18.198 73.861 1.00 0.00 C ATOM 56743 N9 G B2642 23.457 -17.758 72.763 1.00 0.00 N ATOM 56744 C8 G B2642 24.540 -18.410 72.217 1.00 0.00 C ATOM 56745 N7 G B2642 25.131 -17.744 71.253 1.00 0.00 N ATOM 56746 C5 G B2642 24.388 -16.568 71.158 1.00 0.00 C ATOM 56747 C6 G B2642 24.548 -15.455 70.292 1.00 0.00 C ATOM 56748 O6 G B2642 25.391 -15.273 69.417 1.00 0.00 O ATOM 56749 N1 G B2642 23.572 -14.477 70.534 1.00 0.00 N ATOM 56750 C2 G B2642 22.572 -14.564 71.484 1.00 0.00 C ATOM 56751 N2 G B2642 21.738 -13.525 71.556 1.00 0.00 N ATOM 56752 N3 G B2642 22.425 -15.610 72.294 1.00 0.00 N ATOM 56753 C4 G B2642 23.363 -16.568 72.076 1.00 0.00 C ATOM 56754 P G B2643 19.454 -21.333 71.912 1.00 0.00 P ATOM 56755 O1P G B2643 18.422 -22.357 72.194 1.00 0.00 O ATOM 56756 O2P G B2643 20.495 -21.720 70.934 1.00 0.00 O ATOM 56757 O5* G B2643 18.751 -19.971 71.446 1.00 0.00 O ATOM 56758 C5* G B2643 17.765 -19.368 72.303 1.00 0.00 C ATOM 56759 C4* G B2643 17.328 -18.033 71.730 1.00 0.00 C ATOM 56760 O4* G B2643 18.443 -17.102 71.804 1.00 0.00 O ATOM 56761 C3* G B2643 16.948 -18.038 70.248 1.00 0.00 C ATOM 56762 O3* G B2643 15.628 -18.434 70.058 1.00 0.00 O ATOM 56763 C2* G B2643 17.190 -16.582 69.854 1.00 0.00 C ATOM 56764 O2* G B2643 16.141 -15.752 70.324 1.00 0.00 O ATOM 56765 C1* G B2643 18.427 -16.241 70.675 1.00 0.00 C ATOM 56766 N9 G B2643 19.709 -16.432 69.936 1.00 0.00 N ATOM 56767 C8 G B2643 20.652 -17.427 70.070 1.00 0.00 C ATOM 56768 N7 G B2643 21.676 -17.304 69.258 1.00 0.00 N ATOM 56769 C5 G B2643 21.389 -16.145 68.537 1.00 0.00 C ATOM 56770 C6 G B2643 22.128 -15.503 67.511 1.00 0.00 C ATOM 56771 O6 G B2643 23.207 -15.826 67.020 1.00 0.00 O ATOM 56772 N1 G B2643 21.472 -14.351 67.052 1.00 0.00 N ATOM 56773 C2 G B2643 20.262 -13.883 67.523 1.00 0.00 C ATOM 56774 N2 G B2643 19.803 -12.768 66.952 1.00 0.00 N ATOM 56775 N3 G B2643 19.567 -14.488 68.487 1.00 0.00 N ATOM 56776 C4 G B2643 20.191 -15.606 68.943 1.00 0.00 C ATOM 56777 P G B2644 15.274 -20.119 70.684 1.00 0.00 P ATOM 56778 O1P G B2644 13.879 -20.473 70.335 1.00 0.00 O ATOM 56779 O2P G B2644 15.679 -20.387 72.082 1.00 0.00 O ATOM 56780 O5* G B2644 16.512 -20.739 69.505 1.00 0.00 O ATOM 56781 C5* G B2644 16.714 -20.275 68.152 1.00 0.00 C ATOM 56782 C4* G B2644 15.348 -20.450 67.276 1.00 0.00 C ATOM 56783 O4* G B2644 14.866 -21.823 67.230 1.00 0.00 O ATOM 56784 C3* G B2644 14.090 -19.626 67.547 1.00 0.00 C ATOM 56785 O3* G B2644 13.985 -18.076 67.678 1.00 0.00 O ATOM 56786 C2* G B2644 13.028 -20.386 66.761 1.00 0.00 C ATOM 56787 O2* G B2644 13.147 -20.117 65.375 1.00 0.00 O ATOM 56788 C1* G B2644 13.468 -21.834 66.970 1.00 0.00 C ATOM 56789 N9 G B2644 12.670 -22.655 68.288 1.00 0.00 N ATOM 56790 C8 G B2644 12.873 -23.929 68.769 1.00 0.00 C ATOM 56791 N7 G B2644 12.165 -24.218 69.829 1.00 0.00 N ATOM 56792 C5 G B2644 11.441 -23.056 70.075 1.00 0.00 C ATOM 56793 C6 G B2644 10.499 -22.759 71.091 1.00 0.00 C ATOM 56794 O6 G B2644 10.102 -23.479 72.005 1.00 0.00 O ATOM 56795 N1 G B2644 10.000 -21.455 70.965 1.00 0.00 N ATOM 56796 C2 G B2644 10.362 -20.551 69.984 1.00 0.00 C ATOM 56797 N2 G B2644 9.779 -19.352 70.040 1.00 0.00 N ATOM 56798 N3 G B2644 11.248 -20.828 69.031 1.00 0.00 N ATOM 56799 C4 G B2644 11.742 -22.092 69.136 1.00 0.00 C ATOM 56800 P G B2645 15.225 -16.883 67.000 1.00 0.00 P ATOM 56801 O1P G B2645 15.159 -16.809 65.522 1.00 0.00 O ATOM 56802 O2P G B2645 16.561 -17.164 67.573 1.00 0.00 O ATOM 56803 O5* G B2645 14.506 -15.333 67.731 1.00 0.00 O ATOM 56804 C5* G B2645 14.381 -13.858 67.552 1.00 0.00 C ATOM 56805 C4* G B2645 13.517 -12.886 68.655 1.00 0.00 C ATOM 56806 O4* G B2645 14.094 -13.396 69.896 1.00 0.00 O ATOM 56807 C3* G B2645 13.705 -11.373 68.762 1.00 0.00 C ATOM 56808 O3* G B2645 12.668 -10.514 67.889 1.00 0.00 O ATOM 56809 C2* G B2645 13.486 -11.125 70.253 1.00 0.00 C ATOM 56810 O2* G B2645 12.110 -11.182 70.578 1.00 0.00 O ATOM 56811 C1* G B2645 14.136 -12.363 70.869 1.00 0.00 C ATOM 56812 N9 G B2645 15.787 -12.144 71.361 1.00 0.00 N ATOM 56813 C8 G B2645 16.421 -12.594 72.502 1.00 0.00 C ATOM 56814 N7 G B2645 17.712 -12.338 72.526 1.00 0.00 N ATOM 56815 C5 G B2645 17.945 -11.685 71.320 1.00 0.00 C ATOM 56816 C6 G B2645 19.150 -11.167 70.781 1.00 0.00 C ATOM 56817 O6 G B2645 20.277 -11.174 71.267 1.00 0.00 O ATOM 56818 N1 G B2645 18.934 -10.578 69.526 1.00 0.00 N ATOM 56819 C2 G B2645 17.719 -10.502 68.874 1.00 0.00 C ATOM 56820 N2 G B2645 17.723 -9.901 67.685 1.00 0.00 N ATOM 56821 N3 G B2645 16.588 -10.988 69.384 1.00 0.00 N ATOM 56822 C4 G B2645 16.775 -11.562 70.600 1.00 0.00 C ATOM 56823 P C B2646 12.351 -8.733 67.464 1.00 0.00 P ATOM 56824 O1P C B2646 13.486 -7.792 67.310 1.00 0.00 O ATOM 56825 O2P C B2646 11.142 -8.181 68.114 1.00 0.00 O ATOM 56826 O5* C B2646 11.967 -9.350 66.038 1.00 0.00 O ATOM 56827 C5* C B2646 12.300 -8.616 64.846 1.00 0.00 C ATOM 56828 C4* C B2646 11.963 -9.439 63.619 1.00 0.00 C ATOM 56829 O4* C B2646 12.859 -10.586 63.560 1.00 0.00 O ATOM 56830 C3* C B2646 10.568 -10.062 63.598 1.00 0.00 C ATOM 56831 O3* C B2646 9.613 -9.162 63.129 1.00 0.00 O ATOM 56832 C2* C B2646 10.764 -11.254 62.662 1.00 0.00 C ATOM 56833 O2* C B2646 10.813 -10.831 61.312 1.00 0.00 O ATOM 56834 C1* C B2646 12.170 -11.708 63.038 1.00 0.00 C ATOM 56835 N1 C B2646 12.195 -12.786 64.067 1.00 0.00 N ATOM 56836 C2 C B2646 11.833 -14.070 63.675 1.00 0.00 C ATOM 56837 O2 C B2646 11.505 -14.264 62.497 1.00 0.00 O ATOM 56838 N3 C B2646 11.849 -15.065 64.599 1.00 0.00 N ATOM 56839 C4 C B2646 12.210 -14.816 65.864 1.00 0.00 C ATOM 56840 N4 C B2646 12.209 -15.819 66.727 1.00 0.00 N ATOM 56841 C5 C B2646 12.586 -13.501 66.289 1.00 0.00 C ATOM 56842 C6 C B2646 12.562 -12.522 65.351 1.00 0.00 C ATOM 56843 P U B2647 8.104 -9.226 63.744 1.00 0.00 P ATOM 56844 O1P U B2647 7.358 -7.993 63.408 1.00 0.00 O ATOM 56845 O2P U B2647 8.173 -9.564 65.184 1.00 0.00 O ATOM 56846 O5* U B2647 7.497 -10.463 62.928 1.00 0.00 O ATOM 56847 C5* U B2647 7.422 -10.381 61.492 1.00 0.00 C ATOM 56848 C4* U B2647 6.939 -11.701 60.922 1.00 0.00 C ATOM 56849 O4* U B2647 7.964 -12.712 61.141 1.00 0.00 O ATOM 56850 C3* U B2647 5.691 -12.292 61.579 1.00 0.00 C ATOM 56851 O3* U B2647 4.525 -11.751 61.041 1.00 0.00 O ATOM 56852 C2* U B2647 5.846 -13.780 61.275 1.00 0.00 C ATOM 56853 O2* U B2647 5.510 -14.056 59.925 1.00 0.00 O ATOM 56854 C1* U B2647 7.352 -13.964 61.405 1.00 0.00 C ATOM 56855 N1 U B2647 7.788 -14.416 62.757 1.00 0.00 N ATOM 56856 C2 U B2647 7.543 -15.726 63.090 1.00 0.00 C ATOM 56857 O2 U B2647 6.996 -16.511 62.333 1.00 0.00 O ATOM 56858 N3 U B2647 7.958 -16.105 64.350 1.00 0.00 N ATOM 56859 C4 U B2647 8.585 -15.303 65.283 1.00 0.00 C ATOM 56860 O4 U B2647 8.912 -15.755 66.383 1.00 0.00 O ATOM 56861 C5 U B2647 8.797 -13.945 64.843 1.00 0.00 C ATOM 56862 C6 U B2647 8.402 -13.548 63.622 1.00 0.00 C ATOM 56863 P G B2648 3.231 -11.550 62.016 1.00 0.00 P ATOM 56864 O1P G B2648 2.245 -10.646 61.380 1.00 0.00 O ATOM 56865 O2P G B2648 3.689 -11.152 63.366 1.00 0.00 O ATOM 56866 O5* G B2648 2.650 -13.041 62.056 1.00 0.00 O ATOM 56867 C5* G B2648 2.229 -13.659 60.827 1.00 0.00 C ATOM 56868 C4* G B2648 1.836 -15.101 61.079 1.00 0.00 C ATOM 56869 O4* G B2648 3.028 -15.858 61.438 1.00 0.00 O ATOM 56870 C3* G B2648 0.885 -15.335 62.253 1.00 0.00 C ATOM 56871 O3* G B2648 -0.444 -15.149 61.879 1.00 0.00 O ATOM 56872 C2* G B2648 1.194 -16.784 62.629 1.00 0.00 C ATOM 56873 O2* G B2648 0.597 -17.681 61.705 1.00 0.00 O ATOM 56874 C1* G B2648 2.699 -16.848 62.398 1.00 0.00 C ATOM 56875 N9 G B2648 3.503 -16.582 63.623 1.00 0.00 N ATOM 56876 C8 G B2648 4.225 -15.460 63.965 1.00 0.00 C ATOM 56877 N7 G B2648 4.827 -15.546 65.128 1.00 0.00 N ATOM 56878 C5 G B2648 4.477 -16.815 65.589 1.00 0.00 C ATOM 56879 C6 G B2648 4.826 -17.478 66.793 1.00 0.00 C ATOM 56880 O6 G B2648 5.530 -17.075 67.718 1.00 0.00 O ATOM 56881 N1 G B2648 4.253 -18.754 66.860 1.00 0.00 N ATOM 56882 C2 G B2648 3.448 -19.318 65.889 1.00 0.00 C ATOM 56883 N2 G B2648 2.998 -20.551 66.142 1.00 0.00 N ATOM 56884 N3 G B2648 3.120 -18.695 64.759 1.00 0.00 N ATOM 56885 C4 G B2648 3.670 -17.455 64.678 1.00 0.00 C ATOM 56886 P C B2649 -1.489 -14.536 62.975 1.00 0.00 P ATOM 56887 O1P C B2649 -2.723 -14.074 62.302 1.00 0.00 O ATOM 56888 O2P C B2649 -0.793 -13.532 63.810 1.00 0.00 O ATOM 56889 O5* C B2649 -1.804 -15.840 63.849 1.00 0.00 O ATOM 56890 C5* C B2649 -2.401 -16.983 63.207 1.00 0.00 C ATOM 56891 C4* C B2649 -2.494 -18.137 64.187 1.00 0.00 C ATOM 56892 O4* C B2649 -1.149 -18.600 64.498 1.00 0.00 O ATOM 56893 C3* C B2649 -3.096 -17.805 65.553 1.00 0.00 C ATOM 56894 O3* C B2649 -4.487 -17.853 65.524 1.00 0.00 O ATOM 56895 C2* C B2649 -2.487 -18.887 66.442 1.00 0.00 C ATOM 56896 O2* C B2649 -3.136 -20.131 66.235 1.00 0.00 O ATOM 56897 C1* C B2649 -1.084 -19.015 65.852 1.00 0.00 C ATOM 56898 N1 C B2649 -0.067 -18.174 66.544 1.00 0.00 N ATOM 56899 C2 C B2649 0.372 -18.587 67.798 1.00 0.00 C ATOM 56900 O2 C B2649 -0.100 -19.623 68.286 1.00 0.00 O ATOM 56901 N3 C B2649 1.298 -17.834 68.446 1.00 0.00 N ATOM 56902 C4 C B2649 1.782 -16.718 67.886 1.00 0.00 C ATOM 56903 N4 C B2649 2.686 -16.021 68.557 1.00 0.00 N ATOM 56904 C5 C B2649 1.347 -16.277 66.595 1.00 0.00 C ATOM 56905 C6 C B2649 0.418 -17.043 65.966 1.00 0.00 C ATOM 56906 P U B2650 -5.327 -16.818 66.467 1.00 0.00 P ATOM 56907 O1P U B2650 -6.743 -16.765 66.034 1.00 0.00 O ATOM 56908 O2P U B2650 -4.622 -15.518 66.520 1.00 0.00 O ATOM 56909 O5* U B2650 -5.223 -17.549 67.886 1.00 0.00 O ATOM 56910 C5* U B2650 -5.768 -18.874 68.030 1.00 0.00 C ATOM 56911 C4* U B2650 -5.449 -19.419 69.406 1.00 0.00 C ATOM 56912 O4* U B2650 -4.012 -19.642 69.505 1.00 0.00 O ATOM 56913 C3* U B2650 -5.756 -18.488 70.579 1.00 0.00 C ATOM 56914 O3* U B2650 -7.091 -18.577 70.969 1.00 0.00 O ATOM 56915 C2* U B2650 -4.794 -18.995 71.653 1.00 0.00 C ATOM 56916 O2* U B2650 -5.272 -20.204 72.225 1.00 0.00 O ATOM 56917 C1* U B2650 -3.567 -19.356 70.819 1.00 0.00 C ATOM 56918 N1 U B2650 -2.561 -18.262 70.736 1.00 0.00 N ATOM 56919 C2 U B2650 -1.800 -18.026 71.857 1.00 0.00 C ATOM 56920 O2 U B2650 -1.921 -18.666 72.889 1.00 0.00 O ATOM 56921 N3 U B2650 -0.876 -17.005 71.744 1.00 0.00 N ATOM 56922 C4 U B2650 -0.655 -16.221 70.631 1.00 0.00 C ATOM 56923 O4 U B2650 0.202 -15.335 70.646 1.00 0.00 O ATOM 56924 C5 U B2650 -1.503 -16.543 69.506 1.00 0.00 C ATOM 56925 C6 U B2650 -2.409 -17.530 69.589 1.00 0.00 C ATOM 56926 P C B2651 -7.837 -17.240 71.530 1.00 0.00 P ATOM 56927 O1P C B2651 -9.304 -17.435 71.537 1.00 0.00 O ATOM 56928 O2P C B2651 -7.349 -16.054 70.788 1.00 0.00 O ATOM 56929 O5* C B2651 -7.289 -17.199 73.035 1.00 0.00 O ATOM 56930 C5* C B2651 -7.572 -18.305 73.910 1.00 0.00 C ATOM 56931 C4* C B2651 -6.857 -18.115 75.233 1.00 0.00 C ATOM 56932 O4* C B2651 -5.423 -18.229 75.013 1.00 0.00 O ATOM 56933 C3* C B2651 -7.022 -16.743 75.889 1.00 0.00 C ATOM 56934 O3* C B2651 -8.197 -16.670 76.632 1.00 0.00 O ATOM 56935 C2* C B2651 -5.769 -16.651 76.756 1.00 0.00 C ATOM 56936 O2* C B2651 -5.903 -17.446 77.921 1.00 0.00 O ATOM 56937 C1* C B2651 -4.730 -17.335 75.871 1.00 0.00 C ATOM 56938 N1 C B2651 -3.954 -16.391 75.021 1.00 0.00 N ATOM 56939 C2 C B2651 -2.981 -15.609 75.642 1.00 0.00 C ATOM 56940 O2 C B2651 -2.805 -15.733 76.860 1.00 0.00 O ATOM 56941 N3 C B2651 -2.262 -14.743 74.885 1.00 0.00 N ATOM 56942 C4 C B2651 -2.482 -14.639 73.569 1.00 0.00 C ATOM 56943 N4 C B2651 -1.752 -13.776 72.875 1.00 0.00 N ATOM 56944 C5 C B2651 -3.478 -15.433 72.911 1.00 0.00 C ATOM 56945 C6 C B2651 -4.185 -16.293 73.685 1.00 0.00 C ATOM 56946 P C B2652 -8.988 -15.245 76.707 1.00 0.00 P ATOM 56947 O1P C B2652 -10.364 -15.449 77.216 1.00 0.00 O ATOM 56948 O2P C B2652 -8.881 -14.549 75.406 1.00 0.00 O ATOM 56949 O5* C B2652 -8.117 -14.474 77.808 1.00 0.00 O ATOM 56950 C5* C B2652 -8.012 -15.033 79.130 1.00 0.00 C ATOM 56951 C4* C B2652 -7.045 -14.215 79.963 1.00 0.00 C ATOM 56952 O4* C B2652 -5.701 -14.383 79.426 1.00 0.00 O ATOM 56953 C3* C B2652 -7.263 -12.701 79.940 1.00 0.00 C ATOM 56954 O3* C B2652 -8.227 -12.310 80.867 1.00 0.00 O ATOM 56955 C2* C B2652 -5.870 -12.173 80.282 1.00 0.00 C ATOM 56956 O2* C B2652 -5.604 -12.317 81.666 1.00 0.00 O ATOM 56957 C1* C B2652 -4.975 -13.171 79.552 1.00 0.00 C ATOM 56958 N1 C B2652 -4.576 -12.729 78.187 1.00 0.00 N ATOM 56959 C2 C B2652 -3.619 -11.724 78.083 1.00 0.00 C ATOM 56960 O2 C B2652 -3.146 -11.242 79.121 1.00 0.00 O ATOM 56961 N3 C B2652 -3.241 -11.307 76.848 1.00 0.00 N ATOM 56962 C4 C B2652 -3.778 -11.853 75.750 1.00 0.00 C ATOM 56963 N4 C B2652 -3.375 -11.412 74.568 1.00 0.00 N ATOM 56964 C5 C B2652 -4.764 -12.890 75.835 1.00 0.00 C ATOM 56965 C6 C B2652 -5.129 -13.292 77.077 1.00 0.00 C ATOM 56966 P U B2653 -8.582 -11.091 78.658 1.00 0.00 P ATOM 56967 O1P U B2653 -9.845 -11.034 79.426 1.00 0.00 O ATOM 56968 O2P U B2653 -8.613 -11.352 77.201 1.00 0.00 O ATOM 56969 O5* U B2653 -7.781 -9.711 78.906 1.00 0.00 O ATOM 56970 C5* U B2653 -7.397 -9.320 80.228 1.00 0.00 C ATOM 56971 C4* U B2653 -6.405 -8.157 80.207 1.00 0.00 C ATOM 56972 O4* U B2653 -5.285 -8.439 79.355 1.00 0.00 O ATOM 56973 C3* U B2653 -7.036 -6.897 79.634 1.00 0.00 C ATOM 56974 O3* U B2653 -7.617 -6.150 80.710 1.00 0.00 O ATOM 56975 C2* U B2653 -5.840 -6.152 79.101 1.00 0.00 C ATOM 56976 O2* U B2653 -5.141 -5.459 80.147 1.00 0.00 O ATOM 56977 C1* U B2653 -5.005 -7.287 78.526 1.00 0.00 C ATOM 56978 N1 U B2653 -4.778 -8.158 76.943 1.00 0.00 N ATOM 56979 C2 U B2653 -4.120 -7.537 75.911 1.00 0.00 C ATOM 56980 O2 U B2653 -3.377 -6.583 76.074 1.00 0.00 O ATOM 56981 N3 U B2653 -4.354 -8.063 74.657 1.00 0.00 N ATOM 56982 C4 U B2653 -5.172 -9.133 74.356 1.00 0.00 C ATOM 56983 O4 U B2653 -5.303 -9.516 73.193 1.00 0.00 O ATOM 56984 C5 U B2653 -5.819 -9.720 75.505 1.00 0.00 C ATOM 56985 C6 U B2653 -5.609 -9.227 76.739 1.00 0.00 C ATOM 56986 P A B2654 -8.948 -5.264 80.482 1.00 0.00 P ATOM 56987 O1P A B2654 -8.922 -4.741 79.104 1.00 0.00 O ATOM 56988 O2P A B2654 -9.072 -4.325 81.619 1.00 0.00 O ATOM 56989 O5* A B2654 -10.139 -6.355 80.599 1.00 0.00 O ATOM 56990 C5* A B2654 -10.332 -7.364 79.592 1.00 0.00 C ATOM 56991 C4* A B2654 -11.338 -6.924 78.529 1.00 0.00 C ATOM 56992 O4* A B2654 -10.944 -5.687 77.908 1.00 0.00 O ATOM 56993 C3* A B2654 -11.427 -7.951 77.396 1.00 0.00 C ATOM 56994 O3* A B2654 -12.782 -7.986 76.923 1.00 0.00 O ATOM 56995 C2* A B2654 -10.563 -7.343 76.311 1.00 0.00 C ATOM 56996 O2* A B2654 -10.934 -7.807 75.005 1.00 0.00 O ATOM 56997 C1* A B2654 -10.861 -5.874 76.491 1.00 0.00 C ATOM 56998 N9 A B2654 -9.815 -5.027 75.891 1.00 0.00 N ATOM 56999 C8 A B2654 -8.750 -4.422 76.495 1.00 0.00 C ATOM 57000 N7 A B2654 -8.060 -3.653 75.704 1.00 0.00 N ATOM 57001 C5 A B2654 -8.717 -3.763 74.480 1.00 0.00 C ATOM 57002 C6 A B2654 -8.482 -3.189 73.223 1.00 0.00 C ATOM 57003 N6 A B2654 -7.501 -2.319 72.986 1.00 0.00 N ATOM 57004 N1 A B2654 -9.326 -3.520 72.225 1.00 0.00 N ATOM 57005 C2 A B2654 -10.338 -4.363 72.455 1.00 0.00 C ATOM 57006 N3 A B2654 -10.642 -4.953 73.610 1.00 0.00 N ATOM 57007 C4 A B2654 -9.780 -4.601 74.583 1.00 0.00 C ATOM 57008 P G B2655 -13.900 -8.857 77.685 1.00 0.00 P ATOM 57009 O1P G B2655 -13.352 -10.213 77.920 1.00 0.00 O ATOM 57010 O2P G B2655 -15.184 -8.697 76.964 1.00 0.00 O ATOM 57011 O5* G B2655 -14.023 -8.110 79.107 1.00 0.00 O ATOM 57012 C5* G B2655 -15.027 -7.112 79.329 1.00 0.00 C ATOM 57013 C4* G B2655 -14.451 -5.705 79.221 1.00 0.00 C ATOM 57014 O4* G B2655 -14.106 -5.378 77.866 1.00 0.00 O ATOM 57015 C3* G B2655 -15.464 -4.644 79.680 1.00 0.00 C ATOM 57016 O3* G B2655 -14.798 -3.686 80.543 1.00 0.00 O ATOM 57017 C2* G B2655 -15.885 -3.957 78.389 1.00 0.00 C ATOM 57018 O2* G B2655 -16.212 -2.575 78.606 1.00 0.00 O ATOM 57019 C1* G B2655 -14.643 -4.107 77.528 1.00 0.00 C ATOM 57020 N9 G B2655 -14.955 -4.003 76.086 1.00 0.00 N ATOM 57021 C8 G B2655 -16.134 -4.256 75.431 1.00 0.00 C ATOM 57022 N7 G B2655 -16.114 -3.934 74.162 1.00 0.00 N ATOM 57023 C5 G B2655 -14.827 -3.439 73.964 1.00 0.00 C ATOM 57024 C6 G B2655 -14.207 -2.928 72.783 1.00 0.00 C ATOM 57025 O6 G B2655 -14.686 -2.810 71.658 1.00 0.00 O ATOM 57026 N1 G B2655 -12.897 -2.539 73.033 1.00 0.00 N ATOM 57027 C2 G B2655 -12.259 -2.625 74.238 1.00 0.00 C ATOM 57028 N2 G B2655 -10.990 -2.230 74.258 1.00 0.00 N ATOM 57029 N3 G B2655 -12.834 -3.096 75.344 1.00 0.00 N ATOM 57030 C4 G B2655 -14.113 -3.483 75.134 1.00 0.00 C ATOM 57031 P U B2656 -13.285 -3.193 80.260 1.00 0.00 P ATOM 57032 O1P U B2656 -13.304 -2.349 79.048 1.00 0.00 O ATOM 57033 O2P U B2656 -12.385 -4.367 80.330 1.00 0.00 O ATOM 57034 O5* U B2656 -12.975 -2.245 81.527 1.00 0.00 O ATOM 57035 C5* U B2656 -12.558 -0.889 81.336 1.00 0.00 C ATOM 57036 C4* U B2656 -11.033 -0.767 81.255 1.00 0.00 C ATOM 57037 O4* U B2656 -10.490 -1.659 80.273 1.00 0.00 O ATOM 57038 C3* U B2656 -10.622 0.628 80.799 1.00 0.00 C ATOM 57039 O3* U B2656 -10.376 1.439 81.952 1.00 0.00 O ATOM 57040 C2* U B2656 -9.321 0.382 80.098 1.00 0.00 C ATOM 57041 O2* U B2656 -8.223 0.300 81.016 1.00 0.00 O ATOM 57042 C1* U B2656 -9.583 -0.944 79.412 1.00 0.00 C ATOM 57043 N1 U B2656 -10.189 -0.723 78.088 1.00 0.00 N ATOM 57044 C2 U B2656 -9.486 0.039 77.177 1.00 0.00 C ATOM 57045 O2 U B2656 -8.368 0.473 77.419 1.00 0.00 O ATOM 57046 N3 U B2656 -10.115 0.283 75.976 1.00 0.00 N ATOM 57047 C4 U B2656 -11.351 -0.158 75.603 1.00 0.00 C ATOM 57048 O4 U B2656 -11.808 0.139 74.498 1.00 0.00 O ATOM 57049 C5 U B2656 -12.020 -0.955 76.606 1.00 0.00 C ATOM 57050 C6 U B2656 -11.421 -1.211 77.803 1.00 0.00 C ATOM 57051 P A B2657 -10.613 3.033 81.894 1.00 0.00 P ATOM 57052 O1P A B2657 -10.508 3.568 83.271 1.00 0.00 O ATOM 57053 O2P A B2657 -11.831 3.292 81.094 1.00 0.00 O ATOM 57054 O5* A B2657 -9.339 3.551 81.054 1.00 0.00 O ATOM 57055 C5* A B2657 -8.082 3.783 81.703 1.00 0.00 C ATOM 57056 C4* A B2657 -7.085 4.474 80.774 1.00 0.00 C ATOM 57057 O4* A B2657 -6.839 3.702 79.597 1.00 0.00 O ATOM 57058 C3* A B2657 -7.626 5.800 80.272 1.00 0.00 C ATOM 57059 O3* A B2657 -7.224 6.828 81.185 1.00 0.00 O ATOM 57060 C2* A B2657 -6.881 5.989 78.969 1.00 0.00 C ATOM 57061 O2* A B2657 -5.580 6.559 79.176 1.00 0.00 O ATOM 57062 C1* A B2657 -6.790 4.570 78.444 1.00 0.00 C ATOM 57063 N9 A B2657 -7.892 4.295 77.524 1.00 0.00 N ATOM 57064 C8 A B2657 -8.918 3.417 77.654 1.00 0.00 C ATOM 57065 N7 A B2657 -9.747 3.431 76.654 1.00 0.00 N ATOM 57066 C5 A B2657 -9.226 4.391 75.806 1.00 0.00 C ATOM 57067 C6 A B2657 -9.642 4.873 74.571 1.00 0.00 C ATOM 57068 N6 A B2657 -10.747 4.438 73.956 1.00 0.00 N ATOM 57069 N1 A B2657 -8.884 5.831 73.997 1.00 0.00 N ATOM 57070 C2 A B2657 -7.782 6.274 74.623 1.00 0.00 C ATOM 57071 N3 A B2657 -7.319 5.870 75.793 1.00 0.00 N ATOM 57072 C4 A B2657 -8.097 4.922 76.327 1.00 0.00 C ATOM 57073 P C B2658 -8.280 7.938 81.677 1.00 0.00 P ATOM 57074 O1P C B2658 -7.531 9.018 82.361 1.00 0.00 O ATOM 57075 O2P C B2658 -9.382 7.247 82.379 1.00 0.00 O ATOM 57076 O5* C B2658 -8.853 8.516 80.288 1.00 0.00 O ATOM 57077 C5* C B2658 -8.051 9.370 79.467 1.00 0.00 C ATOM 57078 C4* C B2658 -8.739 9.676 78.138 1.00 0.00 C ATOM 57079 O4* C B2658 -8.890 8.493 77.340 1.00 0.00 O ATOM 57080 C3* C B2658 -10.149 10.196 78.359 1.00 0.00 C ATOM 57081 O3* C B2658 -10.099 11.625 78.432 1.00 0.00 O ATOM 57082 C2* C B2658 -10.854 9.799 77.082 1.00 0.00 C ATOM 57083 O2* C B2658 -10.619 10.749 76.032 1.00 0.00 O ATOM 57084 C1* C B2658 -10.213 8.450 76.770 1.00 0.00 C ATOM 57085 N1 C B2658 -11.010 7.338 77.344 1.00 0.00 N ATOM 57086 C2 C B2658 -12.068 6.840 76.585 1.00 0.00 C ATOM 57087 O2 C B2658 -12.300 7.302 75.468 1.00 0.00 O ATOM 57088 N3 C B2658 -12.827 5.837 77.116 1.00 0.00 N ATOM 57089 C4 C B2658 -12.560 5.347 78.336 1.00 0.00 C ATOM 57090 N4 C B2658 -13.325 4.376 78.846 1.00 0.00 N ATOM 57091 C5 C B2658 -11.478 5.851 79.109 1.00 0.00 C ATOM 57092 C6 C B2658 -10.730 6.842 78.580 1.00 0.00 C ATOM 57093 P G B2659 -11.039 12.429 79.469 1.00 0.00 P ATOM 57094 O1P G B2659 -10.494 13.797 79.622 1.00 0.00 O ATOM 57095 O2P G B2659 -11.241 11.579 80.665 1.00 0.00 O ATOM 57096 O5* G B2659 -12.437 12.530 78.675 1.00 0.00 O ATOM 57097 C5* G B2659 -13.676 12.221 79.326 1.00 0.00 C ATOM 57098 C4* G B2659 -14.795 11.998 78.311 1.00 0.00 C ATOM 57099 O4* G B2659 -14.477 10.925 77.413 1.00 0.00 O ATOM 57100 C3* G B2659 -16.090 11.579 78.992 1.00 0.00 C ATOM 57101 O3* G B2659 -16.854 12.744 79.301 1.00 0.00 O ATOM 57102 C2* G B2659 -16.787 10.801 77.906 1.00 0.00 C ATOM 57103 O2* G B2659 -17.422 11.669 76.956 1.00 0.00 O ATOM 57104 C1* G B2659 -15.615 10.047 77.282 1.00 0.00 C ATOM 57105 N9 G B2659 -15.382 8.776 77.995 1.00 0.00 N ATOM 57106 C8 G B2659 -14.394 8.466 78.902 1.00 0.00 C ATOM 57107 N7 G B2659 -14.515 7.287 79.434 1.00 0.00 N ATOM 57108 C5 G B2659 -15.661 6.766 78.842 1.00 0.00 C ATOM 57109 C6 G B2659 -16.292 5.509 79.032 1.00 0.00 C ATOM 57110 O6 G B2659 -15.957 4.591 79.778 1.00 0.00 O ATOM 57111 N1 G B2659 -17.419 5.387 78.242 1.00 0.00 N ATOM 57112 C2 G B2659 -17.895 6.339 77.375 1.00 0.00 C ATOM 57113 N2 G B2659 -19.008 6.025 76.721 1.00 0.00 N ATOM 57114 N3 G B2659 -17.306 7.526 77.184 1.00 0.00 N ATOM 57115 C4 G B2659 -16.197 7.671 77.955 1.00 0.00 C ATOM 57116 P A B2660 -17.282 13.031 80.830 1.00 0.00 P ATOM 57117 O1P A B2660 -18.583 13.738 80.821 1.00 0.00 O ATOM 57118 O2P A B2660 -16.124 13.626 81.531 1.00 0.00 O ATOM 57119 O5* A B2660 -17.513 11.535 81.409 1.00 0.00 O ATOM 57120 C5* A B2660 -18.278 11.308 82.600 1.00 0.00 C ATOM 57121 C4* A B2660 -19.741 11.001 82.276 1.00 0.00 C ATOM 57122 O4* A B2660 -20.303 12.037 81.511 1.00 0.00 O ATOM 57123 C3* A B2660 -19.868 9.747 81.414 1.00 0.00 C ATOM 57124 O3* A B2660 -20.262 8.654 82.257 1.00 0.00 O ATOM 57125 C2* A B2660 -21.023 10.054 80.448 1.00 0.00 C ATOM 57126 O2* A B2660 -22.153 9.211 80.710 1.00 0.00 O ATOM 57127 C1* A B2660 -21.364 11.520 80.727 1.00 0.00 C ATOM 57128 N9 A B2660 -21.491 12.279 79.473 1.00 0.00 N ATOM 57129 C8 A B2660 -20.519 12.953 78.778 1.00 0.00 C ATOM 57130 N7 A B2660 -20.960 13.558 77.713 1.00 0.00 N ATOM 57131 C5 A B2660 -22.321 13.263 77.703 1.00 0.00 C ATOM 57132 C6 A B2660 -23.358 13.607 76.833 1.00 0.00 C ATOM 57133 N6 A B2660 -23.178 14.372 75.758 1.00 0.00 N ATOM 57134 N1 A B2660 -24.588 13.143 77.116 1.00 0.00 N ATOM 57135 C2 A B2660 -24.782 12.378 78.198 1.00 0.00 C ATOM 57136 N3 A B2660 -23.865 12.001 79.084 1.00 0.00 N ATOM 57137 C4 A B2660 -22.650 12.484 78.767 1.00 0.00 C ATOM 57138 P G B2661 -20.089 7.126 81.758 1.00 0.00 P ATOM 57139 O1P G B2661 -19.864 6.274 82.946 1.00 0.00 O ATOM 57140 O2P G B2661 -19.110 7.111 80.646 1.00 0.00 O ATOM 57141 O5* G B2661 -21.545 6.778 81.154 1.00 0.00 O ATOM 57142 C5* G B2661 -21.676 5.967 79.978 1.00 0.00 C ATOM 57143 C4* G B2661 -22.542 6.649 78.920 1.00 0.00 C ATOM 57144 O4* G B2661 -22.066 7.945 78.637 1.00 0.00 O ATOM 57145 C3* G B2661 -22.487 5.893 77.590 1.00 0.00 C ATOM 57146 O3* G B2661 -23.733 5.207 77.411 1.00 0.00 O ATOM 57147 C2* G B2661 -22.390 7.001 76.522 1.00 0.00 C ATOM 57148 O2* G B2661 -23.466 6.916 75.580 1.00 0.00 O ATOM 57149 C1* G B2661 -22.461 8.290 77.325 1.00 0.00 C ATOM 57150 N9 G B2661 -21.574 9.317 76.757 1.00 0.00 N ATOM 57151 C8 G B2661 -20.239 9.508 76.976 1.00 0.00 C ATOM 57152 N7 G B2661 -19.733 10.517 76.330 1.00 0.00 N ATOM 57153 C5 G B2661 -20.815 11.038 75.626 1.00 0.00 C ATOM 57154 C6 G B2661 -20.877 12.151 74.742 1.00 0.00 C ATOM 57155 O6 G B2661 -19.971 12.910 74.402 1.00 0.00 O ATOM 57156 N1 G B2661 -22.159 12.328 74.249 1.00 0.00 N ATOM 57157 C2 G B2661 -23.252 11.546 74.556 1.00 0.00 C ATOM 57158 N2 G B2661 -24.402 11.880 73.976 1.00 0.00 N ATOM 57159 N3 G B2661 -23.195 10.501 75.387 1.00 0.00 N ATOM 57160 C4 G B2661 -21.948 10.308 75.882 1.00 0.00 C ATOM 57161 P A B2662 -23.803 3.810 76.605 1.00 0.00 P ATOM 57162 O1P A B2662 -25.210 3.351 76.595 1.00 0.00 O ATOM 57163 O2P A B2662 -22.742 2.920 77.134 1.00 0.00 O ATOM 57164 O5* A B2662 -23.397 4.236 75.103 1.00 0.00 O ATOM 57165 C5* A B2662 -24.401 4.550 74.122 1.00 0.00 C ATOM 57166 C4* A B2662 -23.785 5.210 72.886 1.00 0.00 C ATOM 57167 O4* A B2662 -23.051 6.355 73.254 1.00 0.00 O ATOM 57168 C3* A B2662 -22.785 4.279 72.220 1.00 0.00 C ATOM 57169 O3* A B2662 -23.422 3.664 71.094 1.00 0.00 O ATOM 57170 C2* A B2662 -21.670 5.201 71.705 1.00 0.00 C ATOM 57171 O2* A B2662 -21.674 5.276 70.271 1.00 0.00 O ATOM 57172 C1* A B2662 -21.988 6.566 72.330 1.00 0.00 C ATOM 57173 N9 A B2662 -20.814 7.085 73.041 1.00 0.00 N ATOM 57174 C8 A B2662 -20.076 6.465 74.002 1.00 0.00 C ATOM 57175 N7 A B2662 -19.123 7.195 74.486 1.00 0.00 N ATOM 57176 C5 A B2662 -19.233 8.390 73.797 1.00 0.00 C ATOM 57177 C6 A B2662 -18.507 9.572 73.858 1.00 0.00 C ATOM 57178 N6 A B2662 -17.489 9.750 74.701 1.00 0.00 N ATOM 57179 N1 A B2662 -18.871 10.570 73.030 1.00 0.00 N ATOM 57180 C2 A B2662 -19.908 10.398 72.194 1.00 0.00 C ATOM 57181 N3 A B2662 -20.662 9.306 72.068 1.00 0.00 N ATOM 57182 C4 A B2662 -20.260 8.337 72.909 1.00 0.00 C ATOM 57183 P G B2663 -22.863 2.272 70.497 1.00 0.00 P ATOM 57184 O1P G B2663 -21.875 2.585 69.441 1.00 0.00 O ATOM 57185 O2P G B2663 -24.022 1.404 70.185 1.00 0.00 O ATOM 57186 O5* G B2663 -22.081 1.635 71.760 1.00 0.00 O ATOM 57187 C5* G B2663 -20.744 1.125 71.626 1.00 0.00 C ATOM 57188 C4* G B2663 -19.773 2.206 71.152 1.00 0.00 C ATOM 57189 O4* G B2663 -19.768 3.334 72.032 1.00 0.00 O ATOM 57190 C3* G B2663 -18.344 1.711 71.157 1.00 0.00 C ATOM 57191 O3* G B2663 -18.057 1.068 69.915 1.00 0.00 O ATOM 57192 C2* G B2663 -17.568 3.004 71.220 1.00 0.00 C ATOM 57193 O2* G B2663 -17.490 3.638 69.936 1.00 0.00 O ATOM 57194 C1* G B2663 -18.411 3.815 72.196 1.00 0.00 C ATOM 57195 N9 G B2663 -17.931 3.616 73.575 1.00 0.00 N ATOM 57196 C8 G B2663 -18.500 2.891 74.589 1.00 0.00 C ATOM 57197 N7 G B2663 -17.787 2.854 75.680 1.00 0.00 N ATOM 57198 C5 G B2663 -16.663 3.613 75.371 1.00 0.00 C ATOM 57199 C6 G B2663 -15.529 3.929 76.166 1.00 0.00 C ATOM 57200 O6 G B2663 -15.293 3.588 77.319 1.00 0.00 O ATOM 57201 N1 G B2663 -14.628 4.717 75.467 1.00 0.00 N ATOM 57202 C2 G B2663 -14.785 5.156 74.176 1.00 0.00 C ATOM 57203 N2 G B2663 -13.805 5.915 73.684 1.00 0.00 N ATOM 57204 N3 G B2663 -15.849 4.860 73.423 1.00 0.00 N ATOM 57205 C4 G B2663 -16.743 4.087 74.084 1.00 0.00 C ATOM 57206 P G B2664 -16.822 0.036 69.808 1.00 0.00 P ATOM 57207 O1P G B2664 -16.493 -0.144 68.376 1.00 0.00 O ATOM 57208 O2P G B2664 -17.127 -1.144 70.649 1.00 0.00 O ATOM 57209 O5* G B2664 -15.617 0.853 70.507 1.00 0.00 O ATOM 57210 C5* G B2664 -14.834 1.779 69.748 1.00 0.00 C ATOM 57211 C4* G B2664 -13.652 2.328 70.550 1.00 0.00 C ATOM 57212 O4* G B2664 -14.073 3.143 71.658 1.00 0.00 O ATOM 57213 C3* G B2664 -12.839 1.217 71.180 1.00 0.00 C ATOM 57214 O3* G B2664 -11.900 0.719 70.213 1.00 0.00 O ATOM 57215 C2* G B2664 -12.123 1.962 72.289 1.00 0.00 C ATOM 57216 O2* G B2664 -11.039 2.755 71.786 1.00 0.00 O ATOM 57217 C1* G B2664 -13.257 2.828 72.818 1.00 0.00 C ATOM 57218 N9 G B2664 -14.038 2.075 73.813 1.00 0.00 N ATOM 57219 C8 G B2664 -15.163 1.324 73.614 1.00 0.00 C ATOM 57220 N7 G B2664 -15.580 0.692 74.672 1.00 0.00 N ATOM 57221 C5 G B2664 -14.665 1.052 75.653 1.00 0.00 C ATOM 57222 C6 G B2664 -14.601 0.667 77.016 1.00 0.00 C ATOM 57223 O6 G B2664 -15.353 -0.078 77.637 1.00 0.00 O ATOM 57224 N1 G B2664 -13.520 1.250 77.648 1.00 0.00 N ATOM 57225 C2 G B2664 -12.616 2.098 77.074 1.00 0.00 C ATOM 57226 N2 G B2664 -11.678 2.570 77.878 1.00 0.00 N ATOM 57227 N3 G B2664 -12.663 2.469 75.786 1.00 0.00 N ATOM 57228 C4 G B2664 -13.715 1.906 75.137 1.00 0.00 C ATOM 57229 P A B2665 -10.645 -0.194 70.652 1.00 0.00 P ATOM 57230 O1P A B2665 -10.398 -1.188 69.582 1.00 0.00 O ATOM 57231 O2P A B2665 -10.858 -0.646 72.047 1.00 0.00 O ATOM 57232 O5* A B2665 -9.439 0.861 70.645 1.00 0.00 O ATOM 57233 C5* A B2665 -9.139 1.578 69.447 1.00 0.00 C ATOM 57234 C4* A B2665 -8.187 2.737 69.703 1.00 0.00 C ATOM 57235 O4* A B2665 -8.568 3.482 70.862 1.00 0.00 O ATOM 57236 C3* A B2665 -6.787 2.248 69.998 1.00 0.00 C ATOM 57237 O3* A B2665 -6.084 2.091 68.764 1.00 0.00 O ATOM 57238 C2* A B2665 -6.203 3.416 70.748 1.00 0.00 C ATOM 57239 O2* A B2665 -5.782 4.461 69.857 1.00 0.00 O ATOM 57240 C1* A B2665 -7.387 3.856 71.605 1.00 0.00 C ATOM 57241 N9 A B2665 -7.347 3.199 72.927 1.00 0.00 N ATOM 57242 C8 A B2665 -8.235 2.305 73.480 1.00 0.00 C ATOM 57243 N7 A B2665 -7.891 1.897 74.670 1.00 0.00 N ATOM 57244 C5 A B2665 -6.693 2.565 74.918 1.00 0.00 C ATOM 57245 C6 A B2665 -5.817 2.564 76.009 1.00 0.00 C ATOM 57246 N6 A B2665 -6.013 1.821 77.094 1.00 0.00 N ATOM 57247 N1 A B2665 -4.723 3.344 75.930 1.00 0.00 N ATOM 57248 C2 A B2665 -4.506 4.081 74.836 1.00 0.00 C ATOM 57249 N3 A B2665 -5.273 4.146 73.752 1.00 0.00 N ATOM 57250 C4 A B2665 -6.358 3.357 73.867 1.00 0.00 C ATOM 57251 H8 A B2665 -9.175 1.965 73.015 1.00 0.00 H ATOM 57252 H2 A B2665 -3.668 4.675 74.955 1.00 0.00 H ATOM 57253 P C B2666 -5.057 0.868 68.557 1.00 0.00 P ATOM 57254 O1P C B2666 -4.411 1.021 67.235 1.00 0.00 O ATOM 57255 O2P C B2666 -5.762 -0.391 68.892 1.00 0.00 O ATOM 57256 O5* C B2666 -3.951 1.141 69.696 1.00 0.00 O ATOM 57257 C5* C B2666 -3.004 2.201 69.544 1.00 0.00 C ATOM 57258 C4* C B2666 -2.158 2.383 70.803 1.00 0.00 C ATOM 57259 O4* C B2666 -2.969 2.686 71.940 1.00 0.00 O ATOM 57260 C3* C B2666 -1.432 1.102 71.165 1.00 0.00 C ATOM 57261 O3* C B2666 -0.153 1.099 70.516 1.00 0.00 O ATOM 57262 C2* C B2666 -1.213 1.258 72.652 1.00 0.00 C ATOM 57263 O2* C B2666 -0.037 2.029 72.935 1.00 0.00 O ATOM 57264 C1* C B2666 -2.476 1.981 73.099 1.00 0.00 C ATOM 57265 N1 C B2666 -3.530 0.979 73.599 1.00 0.00 N ATOM 57266 C2 C B2666 -3.621 0.616 74.939 1.00 0.00 C ATOM 57267 O2 C B2666 -2.824 1.108 75.746 1.00 0.00 O ATOM 57268 N3 C B2666 -4.581 -0.267 75.312 1.00 0.00 N ATOM 57269 C4 C B2666 -5.428 -0.779 74.407 1.00 0.00 C ATOM 57270 N4 C B2666 -6.347 -1.635 74.822 1.00 0.00 N ATOM 57271 C5 C B2666 -5.351 -0.416 73.023 1.00 0.00 C ATOM 57272 C6 C B2666 -4.384 0.466 72.672 1.00 0.00 C ATOM 57273 P C B2667 0.553 -0.290 70.099 1.00 0.00 P ATOM 57274 O1P C B2667 1.944 0.004 69.684 1.00 0.00 O ATOM 57275 O2P C B2667 -0.354 -1.011 69.176 1.00 0.00 O ATOM 57276 O5* C B2667 0.602 -1.101 71.492 1.00 0.00 O ATOM 57277 C5* C B2667 1.606 -0.813 72.473 1.00 0.00 C ATOM 57278 C4* C B2667 1.911 -2.037 73.340 1.00 0.00 C ATOM 57279 O4* C B2667 0.714 -2.580 73.915 1.00 0.00 O ATOM 57280 C3* C B2667 2.522 -3.158 72.518 1.00 0.00 C ATOM 57281 O3* C B2667 3.950 -3.055 72.613 1.00 0.00 O ATOM 57282 C2* C B2667 2.073 -4.406 73.250 1.00 0.00 C ATOM 57283 O2* C B2667 2.946 -4.720 74.346 1.00 0.00 O ATOM 57284 C1* C B2667 0.687 -4.015 73.742 1.00 0.00 C ATOM 57285 N1 C B2667 -0.360 -4.420 72.777 1.00 0.00 N ATOM 57286 C2 C B2667 -1.525 -4.981 73.291 1.00 0.00 C ATOM 57287 O2 C B2667 -1.660 -5.121 74.508 1.00 0.00 O ATOM 57288 N3 C B2667 -2.496 -5.364 72.418 1.00 0.00 N ATOM 57289 C4 C B2667 -2.336 -5.204 71.095 1.00 0.00 C ATOM 57290 N4 C B2667 -3.307 -5.591 70.268 1.00 0.00 N ATOM 57291 C5 C B2667 -1.141 -4.627 70.565 1.00 0.00 C ATOM 57292 C6 C B2667 -0.185 -4.253 71.435 1.00 0.00 C ATOM 57293 P G B2668 4.817 -4.425 72.586 1.00 0.00 P ATOM 57294 O1P G B2668 6.267 -4.195 72.389 1.00 0.00 O ATOM 57295 O2P G B2668 4.164 -5.302 71.588 1.00 0.00 O ATOM 57296 O5* G B2668 4.555 -4.991 74.059 1.00 0.00 O ATOM 57297 C5* G B2668 5.031 -4.243 75.191 1.00 0.00 C ATOM 57298 C4* G B2668 4.567 -4.891 76.478 1.00 0.00 C ATOM 57299 O4* G B2668 3.119 -4.757 76.579 1.00 0.00 O ATOM 57300 C3* G B2668 4.803 -6.398 76.586 1.00 0.00 C ATOM 57301 O3* G B2668 6.093 -6.681 77.030 1.00 0.00 O ATOM 57302 C2* G B2668 3.729 -6.822 77.587 1.00 0.00 C ATOM 57303 O2* G B2668 4.105 -6.465 78.906 1.00 0.00 O ATOM 57304 C1* G B2668 2.571 -5.912 77.194 1.00 0.00 C ATOM 57305 N9 G B2668 1.619 -6.537 76.232 1.00 0.00 N ATOM 57306 C8 G B2668 1.455 -6.291 74.885 1.00 0.00 C ATOM 57307 N7 G B2668 0.520 -7.019 74.322 1.00 0.00 N ATOM 57308 C5 G B2668 0.032 -7.801 75.367 1.00 0.00 C ATOM 57309 C6 G B2668 -0.994 -8.782 75.373 1.00 0.00 C ATOM 57310 O6 G B2668 -1.690 -9.172 74.440 1.00 0.00 O ATOM 57311 N1 G B2668 -1.168 -9.331 76.650 1.00 0.00 N ATOM 57312 C2 G B2668 -0.448 -8.979 77.775 1.00 0.00 C ATOM 57313 N2 G B2668 -0.767 -9.621 78.902 1.00 0.00 N ATOM 57314 N3 G B2668 0.511 -8.056 77.769 1.00 0.00 N ATOM 57315 C4 G B2668 0.695 -7.512 76.536 1.00 0.00 C ATOM 57316 P G B2669 6.839 -8.024 76.470 1.00 0.00 P ATOM 57317 O1P G B2669 8.291 -7.958 76.754 1.00 0.00 O ATOM 57318 O2P G B2669 6.469 -8.236 75.055 1.00 0.00 O ATOM 57319 O5* G B2669 6.160 -9.148 77.384 1.00 0.00 O ATOM 57320 C5* G B2669 6.317 -9.078 78.813 1.00 0.00 C ATOM 57321 C4* G B2669 5.493 -10.160 79.480 1.00 0.00 C ATOM 57322 O4* G B2669 4.080 -9.862 79.288 1.00 0.00 O ATOM 57323 C3* G B2669 5.654 -11.570 78.905 1.00 0.00 C ATOM 57324 O3* G B2669 6.760 -12.220 79.448 1.00 0.00 O ATOM 57325 C2* G B2669 4.332 -12.225 79.296 1.00 0.00 C ATOM 57326 O2* G B2669 4.330 -12.572 80.669 1.00 0.00 O ATOM 57327 C1* G B2669 3.351 -11.069 79.128 1.00 0.00 C ATOM 57328 N9 G B2669 2.694 -11.032 77.791 1.00 0.00 N ATOM 57329 C8 G B2669 2.920 -10.181 76.732 1.00 0.00 C ATOM 57330 N7 G B2669 2.163 -10.419 75.686 1.00 0.00 N ATOM 57331 C5 G B2669 1.381 -11.503 76.082 1.00 0.00 C ATOM 57332 C6 G B2669 0.374 -12.207 75.375 1.00 0.00 C ATOM 57333 O6 G B2669 -0.045 -12.017 74.236 1.00 0.00 O ATOM 57334 N1 G B2669 -0.167 -13.241 76.151 1.00 0.00 N ATOM 57335 C2 G B2669 0.217 -13.555 77.440 1.00 0.00 C ATOM 57336 N2 G B2669 -0.421 -14.580 78.011 1.00 0.00 N ATOM 57337 N3 G B2669 1.162 -12.893 78.103 1.00 0.00 N ATOM 57338 C4 G B2669 1.697 -11.884 77.364 1.00 0.00 C ATOM 57339 P A B2670 7.599 -13.258 78.505 1.00 0.00 P ATOM 57340 O1P A B2670 8.913 -13.554 79.119 1.00 0.00 O ATOM 57341 O2P A B2670 7.637 -12.744 77.119 1.00 0.00 O ATOM 57342 O5* A B2670 6.663 -14.554 78.579 1.00 0.00 O ATOM 57343 C5* A B2670 6.416 -15.164 79.858 1.00 0.00 C ATOM 57344 C4* A B2670 5.410 -16.289 79.712 1.00 0.00 C ATOM 57345 O4* A B2670 4.116 -15.722 79.361 1.00 0.00 O ATOM 57346 C3* A B2670 5.691 -17.289 78.587 1.00 0.00 C ATOM 57347 O3* A B2670 6.583 -18.280 78.993 1.00 0.00 O ATOM 57348 C2* A B2670 4.296 -17.838 78.293 1.00 0.00 C ATOM 57349 O2* A B2670 3.899 -18.765 79.290 1.00 0.00 O ATOM 57350 C1* A B2670 3.432 -16.593 78.475 1.00 0.00 C ATOM 57351 N9 A B2670 3.175 -15.852 77.208 1.00 0.00 N ATOM 57352 C8 A B2670 3.713 -14.661 76.775 1.00 0.00 C ATOM 57353 N7 A B2670 3.280 -14.277 75.613 1.00 0.00 N ATOM 57354 C5 A B2670 2.394 -15.277 75.241 1.00 0.00 C ATOM 57355 C6 A B2670 1.599 -15.460 74.097 1.00 0.00 C ATOM 57356 N6 A B2670 1.567 -14.594 73.073 1.00 0.00 N ATOM 57357 N1 A B2670 0.833 -16.564 74.045 1.00 0.00 N ATOM 57358 C2 A B2670 0.869 -17.420 75.066 1.00 0.00 C ATOM 57359 N3 A B2670 1.568 -17.357 76.179 1.00 0.00 N ATOM 57360 C4 A B2670 2.326 -16.240 76.206 1.00 0.00 C ATOM 57361 P G B2671 7.627 -18.890 77.897 1.00 0.00 P ATOM 57362 O1P G B2671 8.709 -19.635 78.581 1.00 0.00 O ATOM 57363 O2P G B2671 8.064 -17.818 76.979 1.00 0.00 O ATOM 57364 O5* G B2671 6.675 -19.917 77.120 1.00 0.00 O ATOM 57365 C5* G B2671 6.063 -20.994 77.849 1.00 0.00 C ATOM 57366 C4* G B2671 5.113 -21.759 76.949 1.00 0.00 C ATOM 57367 O4* G B2671 3.983 -20.900 76.621 1.00 0.00 O ATOM 57368 C3* G B2671 5.671 -22.168 75.585 1.00 0.00 C ATOM 57369 O3* G B2671 6.390 -23.361 75.663 1.00 0.00 O ATOM 57370 C2* G B2671 4.403 -22.299 74.746 1.00 0.00 C ATOM 57371 O2* G B2671 3.719 -23.503 75.051 1.00 0.00 O ATOM 57372 C1* G B2671 3.553 -21.156 75.293 1.00 0.00 C ATOM 57373 N9 G B2671 3.680 -19.892 74.517 1.00 0.00 N ATOM 57374 C8 G B2671 4.347 -18.731 74.847 1.00 0.00 C ATOM 57375 N7 G B2671 4.266 -17.791 73.935 1.00 0.00 N ATOM 57376 C5 G B2671 3.491 -18.372 72.928 1.00 0.00 C ATOM 57377 C6 G B2671 3.061 -17.841 71.687 1.00 0.00 C ATOM 57378 O6 G B2671 3.279 -16.731 71.206 1.00 0.00 O ATOM 57379 N1 G B2671 2.290 -18.768 70.971 1.00 0.00 N ATOM 57380 C2 G B2671 1.978 -20.043 71.402 1.00 0.00 C ATOM 57381 N2 G B2671 1.231 -20.776 70.573 1.00 0.00 N ATOM 57382 N3 G B2671 2.382 -20.539 72.569 1.00 0.00 N ATOM 57383 C4 G B2671 3.130 -19.652 73.275 1.00 0.00 C ATOM 57384 P U B2672 7.683 -23.563 74.689 1.00 0.00 P ATOM 57385 O1P U B2672 8.511 -24.694 75.164 1.00 0.00 O ATOM 57386 O2P U B2672 8.387 -22.271 74.528 1.00 0.00 O ATOM 57387 O5* U B2672 6.962 -23.960 73.315 1.00 0.00 O ATOM 57388 C5* U B2672 6.144 -25.145 73.271 1.00 0.00 C ATOM 57389 C4* U B2672 5.465 -25.256 71.921 1.00 0.00 C ATOM 57390 O4* U B2672 4.495 -24.179 71.790 1.00 0.00 O ATOM 57391 C3* U B2672 6.375 -25.082 70.703 1.00 0.00 C ATOM 57392 O3* U B2672 7.010 -26.276 70.367 1.00 0.00 O ATOM 57393 C2* U B2672 5.390 -24.619 69.632 1.00 0.00 C ATOM 57394 O2* U B2672 4.617 -25.707 69.154 1.00 0.00 O ATOM 57395 C1* U B2672 4.448 -23.733 70.444 1.00 0.00 C ATOM 57396 N1 U B2672 4.820 -22.291 70.424 1.00 0.00 N ATOM 57397 C2 U B2672 4.567 -21.595 69.265 1.00 0.00 C ATOM 57398 O2 U B2672 4.061 -22.109 68.282 1.00 0.00 O ATOM 57399 N3 U B2672 4.924 -20.263 69.284 1.00 0.00 N ATOM 57400 C4 U B2672 5.500 -19.583 70.340 1.00 0.00 C ATOM 57401 O4 U B2672 5.777 -18.385 70.237 1.00 0.00 O ATOM 57402 C5 U B2672 5.728 -20.396 71.509 1.00 0.00 C ATOM 57403 C6 U B2672 5.391 -21.697 71.518 1.00 0.00 C ATOM 57404 P G B2673 8.520 -26.211 69.749 1.00 0.00 P ATOM 57405 O1P G B2673 9.152 -27.549 69.803 1.00 0.00 O ATOM 57406 O2P G B2673 9.273 -25.116 70.398 1.00 0.00 O ATOM 57407 O5* G B2673 8.205 -25.825 68.228 1.00 0.00 O ATOM 57408 C5* G B2673 7.402 -26.717 67.433 1.00 0.00 C ATOM 57409 C4* G B2673 7.127 -26.097 66.077 1.00 0.00 C ATOM 57410 O4* G B2673 6.259 -24.940 66.255 1.00 0.00 O ATOM 57411 C3* G B2673 8.345 -25.534 65.342 1.00 0.00 C ATOM 57412 O3* G B2673 9.020 -26.527 64.636 1.00 0.00 O ATOM 57413 C2* G B2673 7.709 -24.486 64.428 1.00 0.00 C ATOM 57414 O2* G B2673 7.078 -25.104 63.320 1.00 0.00 O ATOM 57415 C1* G B2673 6.604 -23.932 65.320 1.00 0.00 C ATOM 57416 N9 G B2673 7.002 -22.714 66.080 1.00 0.00 N ATOM 57417 C8 G B2673 7.295 -22.584 67.421 1.00 0.00 C ATOM 57418 N7 G B2673 7.615 -21.362 67.778 1.00 0.00 N ATOM 57419 C5 G B2673 7.526 -20.634 66.593 1.00 0.00 C ATOM 57420 C6 G B2673 7.757 -19.257 66.347 1.00 0.00 C ATOM 57421 O6 G B2673 8.092 -18.379 67.140 1.00 0.00 O ATOM 57422 N1 G B2673 7.554 -18.937 64.999 1.00 0.00 N ATOM 57423 C2 G B2673 7.178 -19.829 64.015 1.00 0.00 C ATOM 57424 N2 G B2673 7.037 -19.326 62.787 1.00 0.00 N ATOM 57425 N3 G B2673 6.962 -21.123 64.246 1.00 0.00 N ATOM 57426 C4 G B2673 7.153 -21.451 65.552 1.00 0.00 C ATOM 57427 P G B2674 10.644 -26.424 64.497 1.00 0.00 P ATOM 57428 O1P G B2674 11.203 -27.720 64.052 1.00 0.00 O ATOM 57429 O2P G B2674 11.210 -25.875 65.750 1.00 0.00 O ATOM 57430 O5* G B2674 10.776 -25.345 63.323 1.00 0.00 O ATOM 57431 C5* G B2674 10.208 -25.640 62.036 1.00 0.00 C ATOM 57432 C4* G B2674 10.339 -24.439 61.121 1.00 0.00 C ATOM 57433 O4* G B2674 9.485 -23.371 61.622 1.00 0.00 O ATOM 57434 C3* G B2674 11.727 -23.800 61.057 1.00 0.00 C ATOM 57435 O3* G B2674 12.549 -24.457 60.141 1.00 0.00 O ATOM 57436 C2* G B2674 11.401 -22.369 60.636 1.00 0.00 C ATOM 57437 O2* G B2674 11.089 -22.310 59.255 1.00 0.00 O ATOM 57438 C1* G B2674 10.103 -22.114 61.394 1.00 0.00 C ATOM 57439 N9 G B2674 10.303 -21.453 62.716 1.00 0.00 N ATOM 57440 C8 G B2674 10.211 -21.994 63.981 1.00 0.00 C ATOM 57441 N7 G B2674 10.446 -21.135 64.945 1.00 0.00 N ATOM 57442 C5 G B2674 10.714 -19.943 64.268 1.00 0.00 C ATOM 57443 C6 G B2674 11.038 -18.660 64.776 1.00 0.00 C ATOM 57444 O6 G B2674 11.160 -18.302 65.946 1.00 0.00 O ATOM 57445 N1 G B2674 11.231 -17.735 63.741 1.00 0.00 N ATOM 57446 C2 G B2674 11.123 -18.012 62.394 1.00 0.00 C ATOM 57447 N2 G B2674 11.344 -16.992 61.564 1.00 0.00 N ATOM 57448 N3 G B2674 10.817 -19.219 61.918 1.00 0.00 N ATOM 57449 C4 G B2674 10.627 -20.129 62.910 1.00 0.00 C ATOM 57450 P A B2675 13.549 -25.754 61.025 1.00 0.00 P ATOM 57451 O1P A B2675 12.681 -26.853 61.505 1.00 0.00 O ATOM 57452 O2P A B2675 14.442 -25.151 62.038 1.00 0.00 O ATOM 57453 O5* A B2675 14.490 -26.326 59.565 1.00 0.00 O ATOM 57454 C5* A B2675 15.294 -27.527 59.691 1.00 0.00 C ATOM 57455 C4* A B2675 16.429 -27.584 58.576 1.00 0.00 C ATOM 57456 O4* A B2675 17.832 -27.846 58.855 1.00 0.00 O ATOM 57457 C3* A B2675 16.226 -28.132 57.161 1.00 0.00 C ATOM 57458 O3* A B2675 14.887 -27.664 56.528 1.00 0.00 O ATOM 57459 C2* A B2675 17.557 -27.797 56.497 1.00 0.00 C ATOM 57460 O2* A B2675 17.622 -26.422 56.165 1.00 0.00 O ATOM 57461 C1* A B2675 18.540 -28.030 57.632 1.00 0.00 C ATOM 57462 N9 A B2675 19.242 -29.562 57.651 1.00 0.00 N ATOM 57463 C8 A B2675 19.637 -30.309 58.736 1.00 0.00 C ATOM 57464 N7 A B2675 20.019 -31.516 58.437 1.00 0.00 N ATOM 57465 C5 A B2675 19.869 -31.579 57.058 1.00 0.00 C ATOM 57466 C6 A B2675 20.103 -32.604 56.127 1.00 0.00 C ATOM 57467 N6 A B2675 20.569 -33.818 56.464 1.00 0.00 N ATOM 57468 N1 A B2675 19.854 -32.334 54.833 1.00 0.00 N ATOM 57469 C2 A B2675 19.395 -31.129 54.509 1.00 0.00 C ATOM 57470 N3 A B2675 19.133 -30.099 55.283 1.00 0.00 N ATOM 57471 C4 A B2675 19.399 -30.394 56.574 1.00 0.00 C ATOM 57472 P C B2676 14.376 -25.977 55.895 1.00 0.00 P ATOM 57473 O1P C B2676 13.544 -25.168 56.814 1.00 0.00 O ATOM 57474 O2P C B2676 13.758 -26.312 54.593 1.00 0.00 O ATOM 57475 O5* C B2676 15.782 -25.250 55.655 1.00 0.00 O ATOM 57476 C5* C B2676 15.890 -24.258 54.618 1.00 0.00 C ATOM 57477 C4* C B2676 17.261 -23.617 54.652 1.00 0.00 C ATOM 57478 O4* C B2676 17.386 -22.834 55.872 1.00 0.00 O ATOM 57479 C3* C B2676 18.444 -24.584 54.712 1.00 0.00 C ATOM 57480 O3* C B2676 18.803 -25.037 53.444 1.00 0.00 O ATOM 57481 C2* C B2676 19.528 -23.721 55.355 1.00 0.00 C ATOM 57482 O2* C B2676 20.066 -22.807 54.418 1.00 0.00 O ATOM 57483 C1* C B2676 18.718 -22.904 56.355 1.00 0.00 C ATOM 57484 N1 C B2676 18.677 -23.498 57.721 1.00 0.00 N ATOM 57485 C2 C B2676 19.825 -23.403 58.503 1.00 0.00 C ATOM 57486 O2 C B2676 20.820 -22.835 58.035 1.00 0.00 O ATOM 57487 N3 C B2676 19.812 -23.939 59.750 1.00 0.00 N ATOM 57488 C4 C B2676 18.713 -24.545 60.218 1.00 0.00 C ATOM 57489 N4 C B2676 18.750 -25.051 61.444 1.00 0.00 N ATOM 57490 C5 C B2676 17.524 -24.651 59.432 1.00 0.00 C ATOM 57491 C6 C B2676 17.558 -24.112 58.190 1.00 0.00 C ATOM 57492 P G B2677 19.374 -26.559 53.287 1.00 0.00 P ATOM 57493 O1P G B2677 19.344 -26.973 51.865 1.00 0.00 O ATOM 57494 O2P G B2677 18.665 -27.450 54.230 1.00 0.00 O ATOM 57495 O5* G B2677 20.890 -26.358 53.760 1.00 0.00 O ATOM 57496 C5* G B2677 21.738 -25.456 53.031 1.00 0.00 C ATOM 57497 C4* G B2677 23.079 -25.327 53.724 1.00 0.00 C ATOM 57498 O4* G B2677 22.889 -24.645 54.998 1.00 0.00 O ATOM 57499 C3* G B2677 23.759 -26.642 54.107 1.00 0.00 C ATOM 57500 O3* G B2677 24.477 -27.177 53.041 1.00 0.00 O ATOM 57501 C2* G B2677 24.654 -26.212 55.267 1.00 0.00 C ATOM 57502 O2* G B2677 25.800 -25.531 54.788 1.00 0.00 O ATOM 57503 C1* G B2677 23.781 -25.176 55.964 1.00 0.00 C ATOM 57504 N9 G B2677 22.968 -25.733 57.083 1.00 0.00 N ATOM 57505 C8 G B2677 21.615 -25.997 57.128 1.00 0.00 C ATOM 57506 N7 G B2677 21.207 -26.492 58.273 1.00 0.00 N ATOM 57507 C5 G B2677 22.370 -26.559 59.039 1.00 0.00 C ATOM 57508 C6 G B2677 22.563 -27.012 60.367 1.00 0.00 C ATOM 57509 O6 G B2677 21.732 -27.452 61.159 1.00 0.00 O ATOM 57510 N1 G B2677 23.903 -26.909 60.755 1.00 0.00 N ATOM 57511 C2 G B2677 24.928 -26.431 59.959 1.00 0.00 C ATOM 57512 N2 G B2677 26.142 -26.412 60.513 1.00 0.00 N ATOM 57513 N3 G B2677 24.746 -26.008 58.710 1.00 0.00 N ATOM 57514 C4 G B2677 23.449 -26.100 58.320 1.00 0.00 C ATOM 57515 P C B2678 24.564 -28.800 52.890 1.00 0.00 P ATOM 57516 O1P C B2678 25.037 -29.165 51.537 1.00 0.00 O ATOM 57517 O2P C B2678 23.278 -29.404 53.310 1.00 0.00 O ATOM 57518 O5* C B2678 25.698 -29.145 53.967 1.00 0.00 O ATOM 57519 C5* C B2678 27.012 -28.578 53.803 1.00 0.00 C ATOM 57520 C4* C B2678 27.880 -28.927 54.994 1.00 0.00 C ATOM 57521 O4* C B2678 27.371 -28.235 56.169 1.00 0.00 O ATOM 57522 C3* C B2678 27.884 -30.400 55.405 1.00 0.00 C ATOM 57523 O3* C B2678 28.795 -31.141 54.655 1.00 0.00 O ATOM 57524 C2* C B2678 28.264 -30.319 56.883 1.00 0.00 C ATOM 57525 O2* C B2678 29.653 -30.067 57.028 1.00 0.00 O ATOM 57526 C1* C B2678 27.536 -29.051 57.318 1.00 0.00 C ATOM 57527 N1 C B2678 26.190 -29.305 57.900 1.00 0.00 N ATOM 57528 C2 C B2678 26.128 -29.840 59.184 1.00 0.00 C ATOM 57529 O2 C B2678 27.183 -30.077 59.782 1.00 0.00 O ATOM 57530 N3 C B2678 24.908 -30.080 59.733 1.00 0.00 N ATOM 57531 C4 C B2678 23.788 -29.805 59.056 1.00 0.00 C ATOM 57532 N4 C B2678 22.624 -30.058 59.633 1.00 0.00 N ATOM 57533 C5 C B2678 23.829 -29.254 57.733 1.00 0.00 C ATOM 57534 C6 C B2678 25.056 -29.025 57.200 1.00 0.00 C ATOM 57535 P A B2679 28.435 -32.693 54.295 1.00 0.00 P ATOM 57536 O1P A B2679 29.318 -33.185 53.213 1.00 0.00 O ATOM 57537 O2P A B2679 26.983 -32.821 54.049 1.00 0.00 O ATOM 57538 O5* A B2679 28.818 -33.415 55.673 1.00 0.00 O ATOM 57539 C5* A B2679 30.175 -33.336 56.150 1.00 0.00 C ATOM 57540 C4* A B2679 30.281 -33.977 57.521 1.00 0.00 C ATOM 57541 O4* A B2679 29.546 -33.159 58.477 1.00 0.00 O ATOM 57542 C3* A B2679 29.650 -35.364 57.658 1.00 0.00 C ATOM 57543 O3* A B2679 30.522 -36.365 57.236 1.00 0.00 O ATOM 57544 C2* A B2679 29.351 -35.432 59.154 1.00 0.00 C ATOM 57545 O2* A B2679 30.536 -35.677 59.891 1.00 0.00 O ATOM 57546 C1* A B2679 28.933 -33.995 59.448 1.00 0.00 C ATOM 57547 N9 A B2679 27.460 -33.777 59.382 1.00 0.00 N ATOM 57548 C8 A B2679 26.724 -33.137 58.410 1.00 0.00 C ATOM 57549 N7 A B2679 25.448 -33.114 58.647 1.00 0.00 N ATOM 57550 C5 A B2679 25.318 -33.780 59.856 1.00 0.00 C ATOM 57551 C6 A B2679 24.206 -34.093 60.655 1.00 0.00 C ATOM 57552 N6 A B2679 22.949 -33.754 60.334 1.00 0.00 N ATOM 57553 N1 A B2679 24.433 -34.766 61.797 1.00 0.00 N ATOM 57554 C2 A B2679 25.681 -35.099 62.112 1.00 0.00 C ATOM 57555 N3 A B2679 26.796 -34.860 61.450 1.00 0.00 N ATOM 57556 C4 A B2679 26.542 -34.187 60.309 1.00 0.00 C ATOM 57557 P U B2680 29.904 -37.693 56.520 1.00 0.00 P ATOM 57558 O1P U B2680 30.974 -38.451 55.827 1.00 0.00 O ATOM 57559 O2P U B2680 28.744 -37.311 55.684 1.00 0.00 O ATOM 57560 O5* U B2680 29.402 -38.518 57.798 1.00 0.00 O ATOM 57561 C5* U B2680 30.364 -38.918 58.792 1.00 0.00 C ATOM 57562 C4* U B2680 29.656 -39.569 59.964 1.00 0.00 C ATOM 57563 O4* U B2680 28.863 -38.560 60.657 1.00 0.00 O ATOM 57564 C3* U B2680 28.640 -40.655 59.609 1.00 0.00 C ATOM 57565 O3* U B2680 29.256 -41.891 59.428 1.00 0.00 O ATOM 57566 C2* U B2680 27.711 -40.632 60.819 1.00 0.00 C ATOM 57567 O2* U B2680 28.313 -41.276 61.928 1.00 0.00 O ATOM 57568 C1* U B2680 27.666 -39.142 61.143 1.00 0.00 C ATOM 57569 N1 U B2680 26.518 -38.428 60.518 1.00 0.00 N ATOM 57570 C2 U B2680 25.276 -38.640 61.062 1.00 0.00 C ATOM 57571 O2 U B2680 25.087 -39.375 62.016 1.00 0.00 O ATOM 57572 N3 U B2680 24.237 -37.959 60.457 1.00 0.00 N ATOM 57573 C4 U B2680 24.335 -37.108 59.377 1.00 0.00 C ATOM 57574 O4 U B2680 23.332 -36.556 58.921 1.00 0.00 O ATOM 57575 C5 U B2680 25.679 -36.950 58.875 1.00 0.00 C ATOM 57576 C6 U B2680 26.709 -37.598 59.444 1.00 0.00 C ATOM 57577 P C B2681 28.456 -43.430 58.801 1.00 0.00 P ATOM 57578 O1P C B2681 29.392 -44.563 58.987 1.00 0.00 O ATOM 57579 O2P C B2681 27.933 -43.247 57.429 1.00 0.00 O ATOM 57580 O5* C B2681 27.122 -43.557 60.051 1.00 0.00 O ATOM 57581 C5* C B2681 26.174 -44.598 60.426 1.00 0.00 C ATOM 57582 C4* C B2681 26.746 -45.742 61.451 1.00 0.00 C ATOM 57583 O4* C B2681 28.019 -46.351 61.093 1.00 0.00 O ATOM 57584 C3* C B2681 26.903 -45.422 62.940 1.00 0.00 C ATOM 57585 O3* C B2681 25.525 -45.117 63.566 1.00 0.00 O ATOM 57586 C2* C B2681 27.731 -46.602 63.435 1.00 0.00 C ATOM 57587 O2* C B2681 26.926 -47.762 63.566 1.00 0.00 O ATOM 57588 C1* C B2681 28.668 -46.840 62.255 1.00 0.00 C ATOM 57589 N1 C B2681 30.193 -46.069 62.386 1.00 0.00 N ATOM 57590 C2 C B2681 31.260 -46.820 62.868 1.00 0.00 C ATOM 57591 O2 C B2681 31.058 -47.994 63.194 1.00 0.00 O ATOM 57592 N3 C B2681 32.478 -46.235 62.963 1.00 0.00 N ATOM 57593 C4 C B2681 32.651 -44.959 62.598 1.00 0.00 C ATOM 57594 N4 C B2681 33.864 -44.431 62.708 1.00 0.00 N ATOM 57595 C5 C B2681 31.568 -44.167 62.099 1.00 0.00 C ATOM 57596 C6 C B2681 30.357 -44.773 62.016 1.00 0.00 C ATOM 57597 P A B2682 25.174 -45.491 65.323 1.00 0.00 P ATOM 57598 O1P A B2682 24.646 -46.855 65.545 1.00 0.00 O ATOM 57599 O2P A B2682 24.387 -44.385 65.913 1.00 0.00 O ATOM 57600 O5* A B2682 26.936 -45.406 65.738 1.00 0.00 O ATOM 57601 C5* A B2682 27.856 -44.519 66.346 1.00 0.00 C ATOM 57602 C4* A B2682 27.749 -44.495 67.950 1.00 0.00 C ATOM 57603 O4* A B2682 26.833 -43.543 68.567 1.00 0.00 O ATOM 57604 C3* A B2682 27.768 -45.673 68.924 1.00 0.00 C ATOM 57605 O3* A B2682 28.747 -46.874 68.747 1.00 0.00 O ATOM 57606 C2* A B2682 27.666 -44.974 70.277 1.00 0.00 C ATOM 57607 O2* A B2682 28.908 -44.393 70.637 1.00 0.00 O ATOM 57608 C1* A B2682 26.717 -43.821 69.955 1.00 0.00 C ATOM 57609 N9 A B2682 25.100 -44.128 70.300 1.00 0.00 N ATOM 57610 C8 A B2682 24.052 -44.287 69.420 1.00 0.00 C ATOM 57611 N7 A B2682 22.889 -44.372 69.992 1.00 0.00 N ATOM 57612 C5 A B2682 23.179 -44.264 71.344 1.00 0.00 C ATOM 57613 C6 A B2682 22.370 -44.282 72.491 1.00 0.00 C ATOM 57614 N6 A B2682 21.031 -44.421 72.450 1.00 0.00 N ATOM 57615 N1 A B2682 22.974 -44.152 73.685 1.00 0.00 N ATOM 57616 C2 A B2682 24.300 -44.012 73.721 1.00 0.00 C ATOM 57617 N3 A B2682 25.157 -43.984 72.719 1.00 0.00 N ATOM 57618 C4 A B2682 24.523 -44.118 71.541 1.00 0.00 C ATOM 57619 P C B2683 28.249 -48.516 69.458 1.00 0.00 P ATOM 57620 O1P C B2683 26.920 -48.916 68.950 1.00 0.00 O ATOM 57621 O2P C B2683 28.393 -48.486 70.929 1.00 0.00 O ATOM 57622 O5* C B2683 29.571 -49.633 68.796 1.00 0.00 O ATOM 57623 C5* C B2683 30.372 -50.881 68.927 1.00 0.00 C ATOM 57624 C4* C B2683 31.914 -50.767 68.260 1.00 0.00 C ATOM 57625 O4* C B2683 31.539 -50.178 66.982 1.00 0.00 O ATOM 57626 C3* C B2683 32.921 -49.774 68.839 1.00 0.00 C ATOM 57627 O3* C B2683 33.652 -49.872 70.219 1.00 0.00 O ATOM 57628 C2* C B2683 33.661 -49.299 67.592 1.00 0.00 C ATOM 57629 O2* C B2683 34.582 -50.281 67.153 1.00 0.00 O ATOM 57630 C1* C B2683 32.533 -49.259 66.565 1.00 0.00 C ATOM 57631 N1 C B2683 31.809 -47.743 66.373 1.00 0.00 N ATOM 57632 C2 C B2683 32.610 -46.690 65.942 1.00 0.00 C ATOM 57633 O2 C B2683 33.808 -46.904 65.718 1.00 0.00 O ATOM 57634 N3 C B2683 32.047 -45.467 65.784 1.00 0.00 N ATOM 57635 C4 C B2683 30.747 -45.272 66.041 1.00 0.00 C ATOM 57636 N4 C B2683 30.246 -44.062 65.873 1.00 0.00 N ATOM 57637 C5 C B2683 29.905 -46.342 66.485 1.00 0.00 C ATOM 57638 C6 C B2683 30.488 -47.557 66.638 1.00 0.00 C ATOM 57639 P U B2684 35.507 -50.056 70.511 1.00 0.00 P ATOM 57640 O1P U B2684 36.179 -50.579 69.299 1.00 0.00 O ATOM 57641 O2P U B2684 35.625 -50.898 71.723 1.00 0.00 O ATOM 57642 O5* U B2684 36.244 -48.370 70.943 1.00 0.00 O ATOM 57643 C5* U B2684 37.037 -47.195 71.516 1.00 0.00 C ATOM 57644 C4* U B2684 38.513 -46.756 70.807 1.00 0.00 C ATOM 57645 O4* U B2684 38.437 -47.464 69.537 1.00 0.00 O ATOM 57646 C3* U B2684 39.105 -45.397 70.442 1.00 0.00 C ATOM 57647 O3* U B2684 39.922 -44.304 71.301 1.00 0.00 O ATOM 57648 C2* U B2684 40.085 -45.762 69.331 1.00 0.00 C ATOM 57649 O2* U B2684 41.260 -46.349 69.871 1.00 0.00 O ATOM 57650 C1* U B2684 39.329 -46.869 68.607 1.00 0.00 C ATOM 57651 N1 U B2684 38.434 -46.353 67.268 1.00 0.00 N ATOM 57652 C2 U B2684 39.126 -46.138 66.100 1.00 0.00 C ATOM 57653 O2 U B2684 40.338 -46.216 66.025 1.00 0.00 O ATOM 57654 N3 U B2684 38.354 -45.825 65.003 1.00 0.00 N ATOM 57655 C4 U B2684 36.977 -45.707 64.970 1.00 0.00 C ATOM 57656 O4 U B2684 36.395 -45.421 63.925 1.00 0.00 O ATOM 57657 C5 U B2684 36.339 -45.947 66.245 1.00 0.00 C ATOM 57658 C6 U B2684 37.069 -46.252 67.331 1.00 0.00 C ATOM 57659 P G B2685 38.954 -42.673 71.550 1.00 0.00 P ATOM 57660 O1P G B2685 38.530 -42.534 72.960 1.00 0.00 O ATOM 57661 O2P G B2685 37.889 -43.037 70.589 1.00 0.00 O ATOM 57662 O5* G B2685 39.416 -40.946 70.849 1.00 0.00 O ATOM 57663 C5* G B2685 39.117 -39.454 70.516 1.00 0.00 C ATOM 57664 C4* G B2685 37.610 -38.626 70.237 1.00 0.00 C ATOM 57665 O4* G B2685 36.413 -39.380 70.571 1.00 0.00 O ATOM 57666 C3* G B2685 37.184 -37.762 69.049 1.00 0.00 C ATOM 57667 O3* G B2685 38.156 -36.845 68.315 1.00 0.00 O ATOM 57668 C2* G B2685 36.228 -38.690 68.303 1.00 0.00 C ATOM 57669 O2* G B2685 36.945 -39.676 67.581 1.00 0.00 O ATOM 57670 C1* G B2685 35.532 -39.404 69.457 1.00 0.00 C ATOM 57671 N9 G B2685 34.008 -38.693 69.944 1.00 0.00 N ATOM 57672 C8 G B2685 33.262 -37.720 69.314 1.00 0.00 C ATOM 57673 N7 G B2685 32.095 -37.498 69.871 1.00 0.00 N ATOM 57674 C5 G B2685 32.061 -38.390 70.941 1.00 0.00 C ATOM 57675 C6 G B2685 31.056 -38.616 71.915 1.00 0.00 C ATOM 57676 O6 G B2685 29.962 -38.065 72.030 1.00 0.00 O ATOM 57677 N1 G B2685 31.433 -39.611 72.824 1.00 0.00 N ATOM 57678 C2 G B2685 32.628 -40.301 72.799 1.00 0.00 C ATOM 57679 N2 G B2685 32.800 -41.216 73.753 1.00 0.00 N ATOM 57680 N3 G B2685 33.576 -40.089 71.887 1.00 0.00 N ATOM 57681 C4 G B2685 33.223 -39.125 70.995 1.00 0.00 C ATOM 57682 P G B2686 38.831 -37.456 66.725 1.00 0.00 P ATOM 57683 O1P G B2686 39.358 -38.832 66.882 1.00 0.00 O ATOM 57684 O2P G B2686 39.745 -36.483 66.092 1.00 0.00 O ATOM 57685 O5* G B2686 37.190 -37.403 65.940 1.00 0.00 O ATOM 57686 C5* G B2686 35.960 -37.481 65.206 1.00 0.00 C ATOM 57687 C4* G B2686 35.029 -36.140 65.242 1.00 0.00 C ATOM 57688 O4* G B2686 34.187 -35.929 64.073 1.00 0.00 O ATOM 57689 C3* G B2686 34.106 -35.814 66.420 1.00 0.00 C ATOM 57690 O3* G B2686 34.771 -35.703 67.789 1.00 0.00 O ATOM 57691 C2* G B2686 33.268 -34.670 65.863 1.00 0.00 C ATOM 57692 O2* G B2686 34.007 -33.460 65.854 1.00 0.00 O ATOM 57693 C1* G B2686 33.092 -35.093 64.410 1.00 0.00 C ATOM 57694 N9 G B2686 31.631 -35.954 64.083 1.00 0.00 N ATOM 57695 C8 G B2686 31.447 -37.122 63.373 1.00 0.00 C ATOM 57696 N7 G B2686 30.209 -37.554 63.377 1.00 0.00 N ATOM 57697 C5 G B2686 29.524 -36.610 64.146 1.00 0.00 C ATOM 57698 C6 G B2686 28.154 -36.542 64.506 1.00 0.00 C ATOM 57699 O6 G B2686 27.246 -37.311 64.218 1.00 0.00 O ATOM 57700 N1 G B2686 27.891 -35.414 65.292 1.00 0.00 N ATOM 57701 C2 G B2686 28.826 -34.475 65.683 1.00 0.00 C ATOM 57702 N2 G B2686 28.373 -33.471 66.439 1.00 0.00 N ATOM 57703 N3 G B2686 30.111 -34.543 65.342 1.00 0.00 N ATOM 57704 C4 G B2686 30.385 -35.633 64.577 1.00 0.00 C ATOM 57705 P U B2687 33.967 -34.802 69.185 1.00 0.00 P ATOM 57706 O1P U B2687 34.181 -33.339 69.100 1.00 0.00 O ATOM 57707 O2P U B2687 34.407 -35.442 70.441 1.00 0.00 O ATOM 57708 O5* U B2687 32.215 -35.248 68.830 1.00 0.00 O ATOM 57709 C5* U B2687 30.964 -35.297 69.603 1.00 0.00 C ATOM 57710 C4* U B2687 29.779 -36.314 69.126 1.00 0.00 C ATOM 57711 O4* U B2687 29.999 -37.301 68.078 1.00 0.00 O ATOM 57712 C3* U B2687 28.598 -36.875 69.920 1.00 0.00 C ATOM 57713 O3* U B2687 28.201 -36.770 71.387 1.00 0.00 O ATOM 57714 C2* U B2687 27.750 -37.516 68.823 1.00 0.00 C ATOM 57715 O2* U B2687 27.048 -36.530 68.089 1.00 0.00 O ATOM 57716 C1* U B2687 28.822 -38.075 67.896 1.00 0.00 C ATOM 57717 N1 U B2687 29.211 -39.716 68.164 1.00 0.00 N ATOM 57718 C2 U B2687 29.284 -40.530 67.060 1.00 0.00 C ATOM 57719 O2 U B2687 28.999 -40.150 65.936 1.00 0.00 O ATOM 57720 N3 U B2687 29.710 -41.821 67.299 1.00 0.00 N ATOM 57721 C4 U B2687 30.065 -42.354 68.523 1.00 0.00 C ATOM 57722 O4 U B2687 30.429 -43.529 68.618 1.00 0.00 O ATOM 57723 C5 U B2687 29.952 -41.422 69.625 1.00 0.00 C ATOM 57724 C6 U B2687 29.540 -40.164 69.417 1.00 0.00 C ATOM 57725 P G B2688 27.144 -38.161 71.932 1.00 0.00 P ATOM 57726 O1P G B2688 26.518 -37.932 73.256 1.00 0.00 O ATOM 57727 O2P G B2688 27.788 -39.484 71.746 1.00 0.00 O ATOM 57728 O5* G B2688 25.992 -37.692 70.614 1.00 0.00 O ATOM 57729 C5* G B2688 25.405 -38.224 69.432 1.00 0.00 C ATOM 57730 C4* G B2688 24.704 -39.635 69.763 1.00 0.00 C ATOM 57731 O4* G B2688 25.127 -40.367 70.946 1.00 0.00 O ATOM 57732 C3* G B2688 23.176 -39.712 69.811 1.00 0.00 C ATOM 57733 O3* G B2688 22.581 -39.536 68.444 1.00 0.00 O ATOM 57734 C2* G B2688 22.946 -41.109 70.378 1.00 0.00 C ATOM 57735 O2* G B2688 23.161 -42.099 69.382 1.00 0.00 O ATOM 57736 C1* G B2688 24.086 -41.231 71.377 1.00 0.00 C ATOM 57737 N9 G B2688 23.671 -40.813 72.994 1.00 0.00 N ATOM 57738 C8 G B2688 24.461 -40.268 73.981 1.00 0.00 C ATOM 57739 N7 G B2688 23.873 -40.176 75.148 1.00 0.00 N ATOM 57740 C5 G B2688 22.603 -40.696 74.922 1.00 0.00 C ATOM 57741 C6 G B2688 21.507 -40.863 75.811 1.00 0.00 C ATOM 57742 O6 G B2688 21.438 -40.578 77.005 1.00 0.00 O ATOM 57743 N1 G B2688 20.404 -41.431 75.165 1.00 0.00 N ATOM 57744 C2 G B2688 20.360 -41.796 73.833 1.00 0.00 C ATOM 57745 N2 G B2688 19.209 -42.320 73.408 1.00 0.00 N ATOM 57746 N3 G B2688 21.388 -41.638 72.998 1.00 0.00 N ATOM 57747 C4 G B2688 22.466 -41.090 73.610 1.00 0.00 C ATOM 57748 P U B2689 20.863 -40.165 68.307 1.00 0.00 P ATOM 57749 O1P U B2689 20.595 -40.108 66.851 1.00 0.00 O ATOM 57750 O2P U B2689 19.902 -39.444 69.168 1.00 0.00 O ATOM 57751 O5* U B2689 20.933 -41.895 68.918 1.00 0.00 O ATOM 57752 C5* U B2689 20.047 -42.000 70.054 1.00 0.00 C ATOM 57753 C4* U B2689 18.548 -42.728 69.829 1.00 0.00 C ATOM 57754 O4* U B2689 18.118 -43.360 71.068 1.00 0.00 O ATOM 57755 C3* U B2689 18.085 -43.700 68.741 1.00 0.00 C ATOM 57756 O3* U B2689 17.543 -43.439 67.245 1.00 0.00 O ATOM 57757 C2* U B2689 18.300 -45.056 69.413 1.00 0.00 C ATOM 57758 O2* U B2689 19.677 -45.404 69.419 1.00 0.00 O ATOM 57759 C1* U B2689 17.911 -44.747 70.858 1.00 0.00 C ATOM 57760 N1 U B2689 16.298 -45.113 71.252 1.00 0.00 N ATOM 57761 C2 U B2689 15.859 -46.385 70.964 1.00 0.00 C ATOM 57762 O2 U B2689 16.537 -47.200 70.364 1.00 0.00 O ATOM 57763 N3 U B2689 14.585 -46.685 71.407 1.00 0.00 N ATOM 57764 C4 U B2689 13.738 -45.847 72.091 1.00 0.00 C ATOM 57765 O4 U B2689 12.616 -46.228 72.438 1.00 0.00 O ATOM 57766 C5 U B2689 14.284 -44.530 72.344 1.00 0.00 C ATOM 57767 C6 U B2689 15.520 -44.212 71.924 1.00 0.00 C ATOM 57768 P U B2690 18.511 -42.470 65.902 1.00 0.00 P ATOM 57769 O1P U B2690 19.780 -43.051 65.415 1.00 0.00 O ATOM 57770 O2P U B2690 18.635 -41.297 66.792 1.00 0.00 O ATOM 57771 O5* U B2690 17.586 -41.948 64.314 1.00 0.00 O ATOM 57772 C5* U B2690 16.729 -41.662 63.066 1.00 0.00 C ATOM 57773 C4* U B2690 16.834 -40.957 61.527 1.00 0.00 C ATOM 57774 O4* U B2690 17.953 -40.673 60.640 1.00 0.00 O ATOM 57775 C3* U B2690 15.611 -40.845 60.623 1.00 0.00 C ATOM 57776 O3* U B2690 14.225 -40.820 61.129 1.00 0.00 O ATOM 57777 C2* U B2690 16.005 -39.706 59.684 1.00 0.00 C ATOM 57778 O2* U B2690 15.884 -38.454 60.336 1.00 0.00 O ATOM 57779 C1* U B2690 17.498 -39.963 59.499 1.00 0.00 C ATOM 57780 N1 U B2690 17.896 -40.868 58.111 1.00 0.00 N ATOM 57781 C2 U B2690 16.865 -41.211 57.275 1.00 0.00 C ATOM 57782 O2 U B2690 15.697 -40.964 57.527 1.00 0.00 O ATOM 57783 N3 U B2690 17.233 -41.868 56.115 1.00 0.00 N ATOM 57784 C4 U B2690 18.519 -42.198 55.735 1.00 0.00 C ATOM 57785 O4 U B2690 18.726 -42.785 54.668 1.00 0.00 O ATOM 57786 C5 U B2690 19.534 -41.791 56.674 1.00 0.00 C ATOM 57787 C6 U B2690 19.204 -41.154 57.809 1.00 0.00 C ATOM 57788 P C B2691 13.390 -42.272 60.413 1.00 0.00 P ATOM 57789 O1P C B2691 12.761 -42.130 59.082 1.00 0.00 O ATOM 57790 O2P C B2691 12.499 -42.734 61.500 1.00 0.00 O ATOM 57791 O5* C B2691 14.662 -43.238 60.310 1.00 0.00 O ATOM 57792 C5* C B2691 15.613 -43.030 59.249 1.00 0.00 C ATOM 57793 C4* C B2691 16.791 -43.968 59.420 1.00 0.00 C ATOM 57794 O4* C B2691 17.538 -43.580 60.608 1.00 0.00 O ATOM 57795 C3* C B2691 16.444 -45.437 59.664 1.00 0.00 C ATOM 57796 O3* C B2691 16.210 -46.114 58.468 1.00 0.00 O ATOM 57797 C2* C B2691 17.687 -45.943 60.394 1.00 0.00 C ATOM 57798 O2* C B2691 18.757 -46.138 59.484 1.00 0.00 O ATOM 57799 C1* C B2691 18.053 -44.735 61.251 1.00 0.00 C ATOM 57800 N1 C B2691 17.486 -44.786 62.629 1.00 0.00 N ATOM 57801 C2 C B2691 18.066 -45.670 63.536 1.00 0.00 C ATOM 57802 O2 C B2691 19.018 -46.365 63.166 1.00 0.00 O ATOM 57803 N3 C B2691 17.563 -45.731 64.795 1.00 0.00 N ATOM 57804 C4 C B2691 16.531 -44.960 65.158 1.00 0.00 C ATOM 57805 N4 C B2691 16.078 -45.058 66.398 1.00 0.00 N ATOM 57806 C5 C B2691 15.921 -44.047 64.239 1.00 0.00 C ATOM 57807 C6 C B2691 16.437 -43.999 62.985 1.00 0.00 C ATOM 57808 P G B2692 15.096 -47.308 58.449 1.00 0.00 P ATOM 57809 O1P G B2692 14.728 -47.643 57.054 1.00 0.00 O ATOM 57810 O2P G B2692 13.971 -46.947 59.343 1.00 0.00 O ATOM 57811 O5* G B2692 15.935 -48.510 59.092 1.00 0.00 O ATOM 57812 C5* G B2692 17.129 -48.963 58.427 1.00 0.00 C ATOM 57813 C4* G B2692 17.825 -50.012 59.269 1.00 0.00 C ATOM 57814 O4* G B2692 18.338 -49.383 60.477 1.00 0.00 O ATOM 57815 C3* G B2692 16.938 -51.141 59.790 1.00 0.00 C ATOM 57816 O3* G B2692 16.785 -52.153 58.842 1.00 0.00 O ATOM 57817 C2* G B2692 17.705 -51.607 61.026 1.00 0.00 C ATOM 57818 O2* G B2692 18.827 -52.389 60.658 1.00 0.00 O ATOM 57819 C1* G B2692 18.242 -50.286 61.567 1.00 0.00 C ATOM 57820 N9 G B2692 17.370 -49.665 62.603 1.00 0.00 N ATOM 57821 C8 G B2692 16.538 -48.570 62.500 1.00 0.00 C ATOM 57822 N7 G B2692 15.900 -48.278 63.609 1.00 0.00 N ATOM 57823 C5 G B2692 16.343 -49.245 64.511 1.00 0.00 C ATOM 57824 C6 G B2692 16.004 -49.447 65.873 1.00 0.00 C ATOM 57825 O6 G B2692 15.234 -48.800 66.579 1.00 0.00 O ATOM 57826 N1 G B2692 16.684 -50.548 66.411 1.00 0.00 N ATOM 57827 C2 G B2692 17.573 -51.350 65.723 1.00 0.00 C ATOM 57828 N2 G B2692 18.115 -52.355 66.415 1.00 0.00 N ATOM 57829 N3 G B2692 17.888 -51.162 64.444 1.00 0.00 N ATOM 57830 C4 G B2692 17.238 -50.097 63.906 1.00 0.00 C ATOM 57831 P G B2693 15.365 -52.958 58.777 1.00 0.00 P ATOM 57832 O1P G B2693 15.265 -53.711 57.504 1.00 0.00 O ATOM 57833 O2P G B2693 14.256 -52.027 59.063 1.00 0.00 O ATOM 57834 O5* G B2693 15.546 -53.981 59.996 1.00 0.00 O ATOM 57835 C5* G B2693 16.632 -54.924 59.961 1.00 0.00 C ATOM 57836 C4* G B2693 16.685 -55.701 61.262 1.00 0.00 C ATOM 57837 O4* G B2693 17.069 -54.793 62.335 1.00 0.00 O ATOM 57838 C3* G B2693 15.359 -56.295 61.738 1.00 0.00 C ATOM 57839 O3* G B2693 15.105 -57.526 61.136 1.00 0.00 O ATOM 57840 C2* G B2693 15.585 -56.410 63.243 1.00 0.00 C ATOM 57841 O2* G B2693 16.416 -57.517 63.544 1.00 0.00 O ATOM 57842 C1* G B2693 16.395 -55.152 63.533 1.00 0.00 C ATOM 57843 N9 G B2693 15.569 -53.991 63.960 1.00 0.00 N ATOM 57844 C8 G B2693 15.225 -52.859 63.254 1.00 0.00 C ATOM 57845 N7 G B2693 14.476 -52.017 63.928 1.00 0.00 N ATOM 57846 C5 G B2693 14.314 -52.635 65.165 1.00 0.00 C ATOM 57847 C6 G B2693 13.600 -52.206 66.314 1.00 0.00 C ATOM 57848 O6 G B2693 12.954 -51.174 66.478 1.00 0.00 O ATOM 57849 N1 G B2693 13.698 -53.141 67.354 1.00 0.00 N ATOM 57850 C2 G B2693 14.389 -54.333 67.293 1.00 0.00 C ATOM 57851 N2 G B2693 14.359 -55.088 68.394 1.00 0.00 N ATOM 57852 N3 G B2693 15.056 -54.736 66.215 1.00 0.00 N ATOM 57853 C4 G B2693 14.977 -53.840 65.195 1.00 0.00 C ATOM 57854 P G B2694 13.559 -57.932 60.806 1.00 0.00 P ATOM 57855 O1P G B2694 13.519 -59.067 59.859 1.00 0.00 O ATOM 57856 O2P G B2694 12.808 -56.723 60.396 1.00 0.00 O ATOM 57857 O5* G B2694 13.060 -58.411 62.249 1.00 0.00 O ATOM 57858 C5* G B2694 13.721 -59.524 62.881 1.00 0.00 C ATOM 57859 C4* G B2694 13.176 -59.724 64.281 1.00 0.00 C ATOM 57860 O4* G B2694 13.573 -58.592 65.107 1.00 0.00 O ATOM 57861 C3* G B2694 11.652 -59.754 64.404 1.00 0.00 C ATOM 57862 O3* G B2694 11.141 -61.022 64.135 1.00 0.00 O ATOM 57863 C2* G B2694 11.441 -59.328 65.856 1.00 0.00 C ATOM 57864 O2* G B2694 11.731 -60.397 66.739 1.00 0.00 O ATOM 57865 C1* G B2694 12.542 -58.290 66.035 1.00 0.00 C ATOM 57866 N9 G B2694 12.094 -56.891 65.782 1.00 0.00 N ATOM 57867 C8 G B2694 12.353 -56.076 64.702 1.00 0.00 C ATOM 57868 N7 G B2694 11.804 -54.886 64.790 1.00 0.00 N ATOM 57869 C5 G B2694 11.132 -54.919 66.011 1.00 0.00 C ATOM 57870 C6 G B2694 10.355 -53.922 66.653 1.00 0.00 C ATOM 57871 O6 G B2694 10.091 -52.787 66.268 1.00 0.00 O ATOM 57872 N1 G B2694 9.857 -54.373 67.882 1.00 0.00 N ATOM 57873 C2 G B2694 10.084 -55.626 68.423 1.00 0.00 C ATOM 57874 N2 G B2694 9.519 -55.863 69.608 1.00 0.00 N ATOM 57875 N3 G B2694 10.811 -56.560 67.819 1.00 0.00 N ATOM 57876 C4 G B2694 11.305 -56.137 66.625 1.00 0.00 C ATOM 57877 P U B2695 9.682 -61.145 63.411 1.00 0.00 P ATOM 57878 O1P U B2695 9.486 -62.516 62.887 1.00 0.00 O ATOM 57879 O2P U B2695 9.529 -60.049 62.428 1.00 0.00 O ATOM 57880 O5* U B2695 8.708 -60.894 64.655 1.00 0.00 O ATOM 57881 C5* U B2695 8.760 -61.800 65.776 1.00 0.00 C ATOM 57882 C4* U B2695 7.851 -61.306 66.883 1.00 0.00 C ATOM 57883 O4* U B2695 8.399 -60.073 67.430 1.00 0.00 O ATOM 57884 C3* U B2695 6.432 -60.921 66.456 1.00 0.00 C ATOM 57885 O3* U B2695 5.596 -62.034 66.408 1.00 0.00 O ATOM 57886 C2* U B2695 6.030 -59.929 67.548 1.00 0.00 C ATOM 57887 O2* U B2695 5.703 -60.609 68.749 1.00 0.00 O ATOM 57888 C1* U B2695 7.345 -59.198 67.797 1.00 0.00 C ATOM 57889 N1 U B2695 7.490 -57.942 67.007 1.00 0.00 N ATOM 57890 C2 U B2695 6.745 -56.860 67.410 1.00 0.00 C ATOM 57891 O2 U B2695 5.991 -56.894 68.369 1.00 0.00 O ATOM 57892 N3 U B2695 6.907 -55.715 66.655 1.00 0.00 N ATOM 57893 C4 U B2695 7.730 -55.568 65.555 1.00 0.00 C ATOM 57894 O4 U B2695 7.790 -54.490 64.958 1.00 0.00 O ATOM 57895 C5 U B2695 8.469 -56.757 65.210 1.00 0.00 C ATOM 57896 C6 U B2695 8.331 -57.885 65.927 1.00 0.00 C ATOM 57897 P U B2696 5.043 -62.422 64.731 1.00 0.00 P ATOM 57898 O1P U B2696 5.113 -63.896 64.628 1.00 0.00 O ATOM 57899 O2P U B2696 5.096 -61.684 63.452 1.00 0.00 O ATOM 57900 O5* U B2696 3.733 -61.998 65.548 1.00 0.00 O ATOM 57901 C5* U B2696 3.527 -62.534 66.866 1.00 0.00 C ATOM 57902 C4* U B2696 2.300 -61.906 67.499 1.00 0.00 C ATOM 57903 O4* U B2696 2.568 -60.497 67.754 1.00 0.00 O ATOM 57904 C3* U B2696 1.040 -61.891 66.629 1.00 0.00 C ATOM 57905 O3* U B2696 0.344 -63.093 66.718 1.00 0.00 O ATOM 57906 C2* U B2696 0.264 -60.715 67.217 1.00 0.00 C ATOM 57907 O2* U B2696 -0.345 -61.075 68.445 1.00 0.00 O ATOM 57908 C1* U B2696 1.387 -59.737 67.550 1.00 0.00 C ATOM 57909 N1 U B2696 1.658 -58.746 66.472 1.00 0.00 N ATOM 57910 C2 U B2696 0.749 -57.730 66.316 1.00 0.00 C ATOM 57911 O2 U B2696 -0.247 -57.616 67.013 1.00 0.00 O ATOM 57912 N3 U B2696 1.031 -56.829 65.307 1.00 0.00 N ATOM 57913 C4 U B2696 2.121 -56.861 64.463 1.00 0.00 C ATOM 57914 O4 U B2696 2.269 -55.997 63.596 1.00 0.00 O ATOM 57915 C5 U B2696 3.023 -57.965 64.705 1.00 0.00 C ATOM 57916 C6 U B2696 2.770 -58.854 65.679 1.00 0.00 C ATOM 57917 P G B2697 -0.450 -63.637 65.399 1.00 0.00 P ATOM 57918 O1P G B2697 -0.808 -65.064 65.569 1.00 0.00 O ATOM 57919 O2P G B2697 0.326 -63.307 64.187 1.00 0.00 O ATOM 57920 O5* G B2697 -1.776 -62.741 65.458 1.00 0.00 O ATOM 57921 C5* G B2697 -2.636 -62.837 66.607 1.00 0.00 C ATOM 57922 C4* G B2697 -3.753 -61.816 66.508 1.00 0.00 C ATOM 57923 O4* G B2697 -3.185 -60.481 66.634 1.00 0.00 O ATOM 57924 C3* G B2697 -4.497 -61.773 65.174 1.00 0.00 C ATOM 57925 O3* G B2697 -5.511 -62.729 65.120 1.00 0.00 O ATOM 57926 C2* G B2697 -5.037 -60.343 65.156 1.00 0.00 C ATOM 57927 O2* G B2697 -6.157 -60.219 66.016 1.00 0.00 O ATOM 57928 C1* G B2697 -3.890 -59.574 65.806 1.00 0.00 C ATOM 57929 N9 G B2697 -2.929 -58.996 64.828 1.00 0.00 N ATOM 57930 C8 G B2697 -1.650 -59.411 64.514 1.00 0.00 C ATOM 57931 N7 G B2697 -1.061 -58.680 63.599 1.00 0.00 N ATOM 57932 C5 G B2697 -2.018 -57.710 63.285 1.00 0.00 C ATOM 57933 C6 G B2697 -1.959 -56.637 62.359 1.00 0.00 C ATOM 57934 O6 G B2697 -1.038 -56.311 61.615 1.00 0.00 O ATOM 57935 N1 G B2697 -3.149 -55.899 62.358 1.00 0.00 N ATOM 57936 C2 G B2697 -4.253 -56.161 63.144 1.00 0.00 C ATOM 57937 N2 G B2697 -5.293 -55.339 62.994 1.00 0.00 N ATOM 57938 N3 G B2697 -4.306 -57.172 64.013 1.00 0.00 N ATOM 57939 C4 G B2697 -3.158 -57.898 64.028 1.00 0.00 C ATOM 57940 P U B2698 -5.849 -63.434 63.690 1.00 0.00 P ATOM 57941 O1P U B2698 -6.665 -64.650 63.898 1.00 0.00 O ATOM 57942 O2P U B2698 -4.598 -63.622 62.922 1.00 0.00 O ATOM 57943 O5* U B2698 -6.741 -62.296 63.001 1.00 0.00 O ATOM 57944 C5* U B2698 -7.967 -61.892 63.635 1.00 0.00 C ATOM 57945 C4* U B2698 -8.580 -60.725 62.887 1.00 0.00 C ATOM 57946 O4* U B2698 -7.723 -59.557 63.047 1.00 0.00 O ATOM 57947 C3* U B2698 -8.689 -60.893 61.371 1.00 0.00 C ATOM 57948 O3* U B2698 -9.841 -61.592 61.016 1.00 0.00 O ATOM 57949 C2* U B2698 -8.708 -59.443 60.888 1.00 0.00 C ATOM 57950 O2* U B2698 -9.976 -58.852 61.115 1.00 0.00 O ATOM 57951 C1* U B2698 -7.731 -58.786 61.857 1.00 0.00 C ATOM 57952 N1 U B2698 -6.335 -58.714 61.346 1.00 0.00 N ATOM 57953 C2 U B2698 -6.072 -57.788 60.366 1.00 0.00 C ATOM 57954 O2 U B2698 -6.925 -57.039 59.917 1.00 0.00 O ATOM 57955 N3 U B2698 -4.767 -57.750 59.917 1.00 0.00 N ATOM 57956 C4 U B2698 -3.729 -58.547 60.354 1.00 0.00 C ATOM 57957 O4 U B2698 -2.600 -58.423 59.874 1.00 0.00 O ATOM 57958 C5 U B2698 -4.099 -59.490 61.382 1.00 0.00 C ATOM 57959 C6 U B2698 -5.363 -59.547 61.838 1.00 0.00 C ATOM 57960 P C B2699 -9.794 -62.574 59.710 1.00 0.00 P ATOM 57961 O1P C B2699 -10.960 -63.486 59.714 1.00 0.00 O ATOM 57962 O2P C B2699 -8.468 -63.224 59.632 1.00 0.00 O ATOM 57963 O5* C B2699 -9.945 -61.506 58.528 1.00 0.00 O ATOM 57964 C5* C B2699 -11.129 -60.694 58.467 1.00 0.00 C ATOM 57965 C4* C B2699 -11.004 -59.676 57.351 1.00 0.00 C ATOM 57966 O4* C B2699 -9.965 -58.717 57.699 1.00 0.00 O ATOM 57967 C3* C B2699 -10.558 -60.227 55.994 1.00 0.00 C ATOM 57968 O3* C B2699 -11.633 -60.734 55.271 1.00 0.00 O ATOM 57969 C2* C B2699 -9.936 -58.996 55.340 1.00 0.00 C ATOM 57970 O2* C B2699 -10.940 -58.113 54.873 1.00 0.00 O ATOM 57971 C1* C B2699 -9.266 -58.317 56.532 1.00 0.00 C ATOM 57972 N1 C B2699 -7.833 -58.689 56.702 1.00 0.00 N ATOM 57973 C2 C B2699 -6.912 -58.142 55.814 1.00 0.00 C ATOM 57974 O2 C B2699 -7.316 -57.380 54.928 1.00 0.00 O ATOM 57975 N3 C B2699 -5.600 -58.466 55.952 1.00 0.00 N ATOM 57976 C4 C B2699 -5.202 -59.296 56.926 1.00 0.00 C ATOM 57977 N4 C B2699 -3.912 -59.582 57.020 1.00 0.00 N ATOM 57978 C5 C B2699 -6.133 -59.866 57.851 1.00 0.00 C ATOM 57979 C6 C B2699 -7.440 -59.530 57.694 1.00 0.00 C ATOM 57980 P A B2700 -11.385 -62.026 54.299 1.00 0.00 P ATOM 57981 O1P A B2700 -12.679 -62.633 53.915 1.00 0.00 O ATOM 57982 O2P A B2700 -10.407 -62.937 54.933 1.00 0.00 O ATOM 57983 O5* A B2700 -10.722 -61.318 53.025 1.00 0.00 O ATOM 57984 C5* A B2700 -11.473 -60.323 52.312 1.00 0.00 C ATOM 57985 C4* A B2700 -10.611 -59.699 51.228 1.00 0.00 C ATOM 57986 O4* A B2700 -9.551 -58.925 51.857 1.00 0.00 O ATOM 57987 C3* A B2700 -9.862 -60.682 50.327 1.00 0.00 C ATOM 57988 O3* A B2700 -10.668 -61.133 49.283 1.00 0.00 O ATOM 57989 C2* A B2700 -8.685 -59.839 49.843 1.00 0.00 C ATOM 57990 O2* A B2700 -9.100 -58.924 48.841 1.00 0.00 O ATOM 57991 C1* A B2700 -8.363 -59.016 51.086 1.00 0.00 C ATOM 57992 N9 A B2700 -7.304 -59.620 51.943 1.00 0.00 N ATOM 57993 C8 A B2700 -7.429 -60.261 53.154 1.00 0.00 C ATOM 57994 N7 A B2700 -6.304 -60.677 53.651 1.00 0.00 N ATOM 57995 C5 A B2700 -5.360 -60.287 52.710 1.00 0.00 C ATOM 57996 C6 A B2700 -3.965 -60.436 52.649 1.00 0.00 C ATOM 57997 N6 A B2700 -3.246 -61.047 53.601 1.00 0.00 N ATOM 57998 N1 A B2700 -3.334 -59.933 51.573 1.00 0.00 N ATOM 57999 C2 A B2700 -4.055 -59.327 50.632 1.00 0.00 C ATOM 58000 N3 A B2700 -5.355 -59.131 50.577 1.00 0.00 N ATOM 58001 C4 A B2700 -5.963 -59.645 51.668 1.00 0.00 C ATOM 58002 P U B2701 -10.471 -62.660 48.742 1.00 0.00 P ATOM 58003 O1P U B2701 -11.628 -63.062 47.914 1.00 0.00 O ATOM 58004 O2P U B2701 -10.156 -63.548 49.882 1.00 0.00 O ATOM 58005 O5* U B2701 -9.177 -62.487 47.816 1.00 0.00 O ATOM 58006 C5* U B2701 -9.240 -61.590 46.693 1.00 0.00 C ATOM 58007 C4* U B2701 -7.879 -61.484 46.036 1.00 0.00 C ATOM 58008 O4* U B2701 -6.967 -60.809 46.949 1.00 0.00 O ATOM 58009 C3* U B2701 -7.181 -62.812 45.734 1.00 0.00 C ATOM 58010 O3* U B2701 -7.607 -63.349 44.522 1.00 0.00 O ATOM 58011 C2* U B2701 -5.709 -62.403 45.711 1.00 0.00 C ATOM 58012 O2* U B2701 -5.394 -61.733 44.502 1.00 0.00 O ATOM 58013 C1* U B2701 -5.664 -61.359 46.822 1.00 0.00 C ATOM 58014 N1 U B2701 -5.268 -61.912 48.147 1.00 0.00 N ATOM 58015 C2 U B2701 -3.943 -62.234 48.320 1.00 0.00 C ATOM 58016 O2 U B2701 -3.105 -62.089 47.448 1.00 0.00 O ATOM 58017 N3 U B2701 -3.616 -62.746 49.562 1.00 0.00 N ATOM 58018 C4 U B2701 -4.478 -62.954 50.619 1.00 0.00 C ATOM 58019 O4 U B2701 -4.067 -63.418 51.682 1.00 0.00 O ATOM 58020 C5 U B2701 -5.848 -62.585 50.341 1.00 0.00 C ATOM 58021 C6 U B2701 -6.193 -62.089 49.142 1.00 0.00 C ATOM 58022 P G B2702 -9.376 -63.706 44.173 1.00 0.00 P ATOM 58023 O1P G B2702 -9.934 -62.789 43.157 1.00 0.00 O ATOM 58024 O2P G B2702 -10.188 -63.881 45.398 1.00 0.00 O ATOM 58025 O5* G B2702 -8.938 -65.314 43.441 1.00 0.00 O ATOM 58026 C5* G B2702 -8.237 -66.281 44.209 1.00 0.00 C ATOM 58027 C4* G B2702 -6.648 -65.903 44.415 1.00 0.00 C ATOM 58028 O4* G B2702 -5.731 -65.749 43.295 1.00 0.00 O ATOM 58029 C3* G B2702 -5.773 -66.474 45.531 1.00 0.00 C ATOM 58030 O3* G B2702 -6.547 -66.977 46.800 1.00 0.00 O ATOM 58031 C2* G B2702 -4.826 -67.385 44.756 1.00 0.00 C ATOM 58032 O2* G B2702 -5.479 -68.587 44.378 1.00 0.00 O ATOM 58033 C1* G B2702 -4.601 -66.586 43.479 1.00 0.00 C ATOM 58034 N9 G B2702 -3.183 -65.593 43.490 1.00 0.00 N ATOM 58035 C8 G B2702 -3.032 -64.292 43.926 1.00 0.00 C ATOM 58036 N7 G B2702 -1.807 -63.837 43.826 1.00 0.00 N ATOM 58037 C5 G B2702 -1.096 -64.906 43.286 1.00 0.00 C ATOM 58038 C6 G B2702 0.279 -65.014 42.951 1.00 0.00 C ATOM 58039 O6 G B2702 1.164 -64.174 43.060 1.00 0.00 O ATOM 58040 N1 G B2702 0.578 -66.281 42.428 1.00 0.00 N ATOM 58041 C2 G B2702 -0.328 -67.306 42.254 1.00 0.00 C ATOM 58042 N2 G B2702 0.157 -68.439 41.737 1.00 0.00 N ATOM 58043 N3 G B2702 -1.616 -67.205 42.568 1.00 0.00 N ATOM 58044 C4 G B2702 -1.926 -65.986 43.077 1.00 0.00 C ATOM 58045 P C B2703 -6.088 -66.242 48.449 1.00 0.00 P ATOM 58046 O1P C B2703 -7.086 -65.215 48.830 1.00 0.00 O ATOM 58047 O2P C B2703 -4.686 -65.775 48.365 1.00 0.00 O ATOM 58048 O5* C B2703 -6.200 -67.637 49.685 1.00 0.00 O ATOM 58049 C5* C B2703 -6.222 -67.533 51.173 1.00 0.00 C ATOM 58050 C4* C B2703 -5.988 -68.828 52.184 1.00 0.00 C ATOM 58051 O4* C B2703 -5.922 -70.118 51.513 1.00 0.00 O ATOM 58052 C3* C B2703 -4.848 -68.884 53.203 1.00 0.00 C ATOM 58053 O3* C B2703 -4.842 -67.876 54.351 1.00 0.00 O ATOM 58054 C2* C B2703 -4.874 -70.347 53.632 1.00 0.00 C ATOM 58055 O2* C B2703 -5.951 -70.586 54.525 1.00 0.00 O ATOM 58056 C1* C B2703 -5.222 -71.050 52.323 1.00 0.00 C ATOM 58057 N1 C B2703 -3.894 -71.612 51.455 1.00 0.00 N ATOM 58058 C2 C B2703 -3.117 -72.612 52.036 1.00 0.00 C ATOM 58059 O2 C B2703 -3.435 -73.044 53.150 1.00 0.00 O ATOM 58060 N3 C B2703 -2.030 -73.069 51.358 1.00 0.00 N ATOM 58061 C4 C B2703 -1.722 -72.570 50.155 1.00 0.00 C ATOM 58062 N4 C B2703 -0.654 -73.055 49.532 1.00 0.00 N ATOM 58063 C5 C B2703 -2.512 -71.547 49.538 1.00 0.00 C ATOM 58064 C6 C B2703 -3.590 -71.102 50.236 1.00 0.00 C ATOM 58065 P C B2704 -3.283 -66.948 54.587 1.00 0.00 P ATOM 58066 O1P C B2704 -3.564 -65.657 55.256 1.00 0.00 O ATOM 58067 O2P C B2704 -2.460 -66.876 53.363 1.00 0.00 O ATOM 58068 O5* C B2704 -2.614 -68.175 55.756 1.00 0.00 O ATOM 58069 C5* C B2704 -1.544 -68.773 56.497 1.00 0.00 C ATOM 58070 C4* C B2704 -0.736 -69.891 55.662 1.00 0.00 C ATOM 58071 O4* C B2704 -1.294 -70.441 54.430 1.00 0.00 O ATOM 58072 C3* C B2704 0.775 -69.962 55.436 1.00 0.00 C ATOM 58073 O3* C B2704 1.684 -69.671 56.626 1.00 0.00 O ATOM 58074 C2* C B2704 0.925 -71.262 54.653 1.00 0.00 C ATOM 58075 O2* C B2704 0.795 -72.386 55.504 1.00 0.00 O ATOM 58076 C1* C B2704 -0.318 -71.229 53.768 1.00 0.00 C ATOM 58077 N1 C B2704 -0.065 -70.575 52.207 1.00 0.00 N ATOM 58078 C2 C B2704 0.541 -71.390 51.254 1.00 0.00 C ATOM 58079 O2 C B2704 0.856 -72.540 51.571 1.00 0.00 O ATOM 58080 N3 C B2704 0.759 -70.885 50.012 1.00 0.00 N ATOM 58081 C4 C B2704 0.401 -69.630 49.711 1.00 0.00 C ATOM 58082 N4 C B2704 0.635 -69.186 48.484 1.00 0.00 N ATOM 58083 C5 C B2704 -0.226 -68.781 50.680 1.00 0.00 C ATOM 58084 C6 C B2704 -0.433 -69.301 51.914 1.00 0.00 C ATOM 58085 P A B2705 2.276 -67.942 56.672 1.00 0.00 P ATOM 58086 O1P A B2705 2.598 -67.514 58.049 1.00 0.00 O ATOM 58087 O2P A B2705 1.411 -67.021 55.895 1.00 0.00 O ATOM 58088 O5* A B2705 3.763 -68.420 55.749 1.00 0.00 O ATOM 58089 C5* A B2705 5.043 -68.995 55.485 1.00 0.00 C ATOM 58090 C4* A B2705 5.458 -68.940 53.917 1.00 0.00 C ATOM 58091 O4* A B2705 4.525 -69.452 52.922 1.00 0.00 O ATOM 58092 C3* A B2705 6.036 -67.681 53.268 1.00 0.00 C ATOM 58093 O3* A B2705 7.040 -66.863 53.945 1.00 0.00 O ATOM 58094 C2* A B2705 6.114 -68.084 51.796 1.00 0.00 C ATOM 58095 O2* A B2705 7.215 -68.950 51.573 1.00 0.00 O ATOM 58096 C1* A B2705 4.849 -68.926 51.645 1.00 0.00 C ATOM 58097 N9 A B2705 3.529 -68.095 51.072 1.00 0.00 N ATOM 58098 C8 A B2705 2.451 -67.620 51.773 1.00 0.00 C ATOM 58099 N7 A B2705 1.525 -67.096 51.030 1.00 0.00 N ATOM 58100 C5 A B2705 2.019 -67.232 49.739 1.00 0.00 C ATOM 58101 C6 A B2705 1.506 -66.872 48.484 1.00 0.00 C ATOM 58102 N6 A B2705 0.318 -66.270 48.316 1.00 0.00 N ATOM 58103 N1 A B2705 2.256 -67.154 47.402 1.00 0.00 N ATOM 58104 C2 A B2705 3.430 -67.752 47.575 1.00 0.00 C ATOM 58105 N3 A B2705 4.013 -68.133 48.690 1.00 0.00 N ATOM 58106 C4 A B2705 3.242 -67.842 49.757 1.00 0.00 C ATOM 58107 P A B2706 6.350 -65.308 54.635 1.00 0.00 P ATOM 58108 O1P A B2706 7.622 -64.789 55.186 1.00 0.00 O ATOM 58109 O2P A B2706 5.185 -65.251 55.544 1.00 0.00 O ATOM 58110 O5* A B2706 6.007 -64.549 53.269 1.00 0.00 O ATOM 58111 C5* A B2706 6.975 -64.558 52.202 1.00 0.00 C ATOM 58112 C4* A B2706 6.395 -63.895 50.967 1.00 0.00 C ATOM 58113 O4* A B2706 5.322 -64.730 50.446 1.00 0.00 O ATOM 58114 C3* A B2706 5.731 -62.537 51.194 1.00 0.00 C ATOM 58115 O3* A B2706 6.663 -61.505 51.185 1.00 0.00 O ATOM 58116 C2* A B2706 4.753 -62.463 50.021 1.00 0.00 C ATOM 58117 O2* A B2706 5.436 -62.152 48.817 1.00 0.00 O ATOM 58118 C1* A B2706 4.294 -63.912 49.910 1.00 0.00 C ATOM 58119 N9 A B2706 3.038 -64.201 50.659 1.00 0.00 N ATOM 58120 C8 A B2706 2.874 -64.884 51.843 1.00 0.00 C ATOM 58121 N7 A B2706 1.641 -64.965 52.236 1.00 0.00 N ATOM 58122 C5 A B2706 0.928 -64.289 51.254 1.00 0.00 C ATOM 58123 C6 A B2706 -0.438 -64.015 51.092 1.00 0.00 C ATOM 58124 N6 A B2706 -1.380 -64.417 51.960 1.00 0.00 N ATOM 58125 N1 A B2706 -0.804 -63.318 50.003 1.00 0.00 N ATOM 58126 C2 A B2706 0.133 -62.924 49.145 1.00 0.00 C ATOM 58127 N3 A B2706 1.434 -63.119 49.191 1.00 0.00 N ATOM 58128 C4 A B2706 1.777 -63.820 50.292 1.00 0.00 C ATOM 58129 P U B2707 6.415 -60.213 52.152 1.00 0.00 P ATOM 58130 O1P U B2707 7.657 -59.420 52.279 1.00 0.00 O ATOM 58131 O2P U B2707 5.805 -60.661 53.423 1.00 0.00 O ATOM 58132 O5* U B2707 5.339 -59.394 51.294 1.00 0.00 O ATOM 58133 C5* U B2707 5.696 -58.939 49.977 1.00 0.00 C ATOM 58134 C4* U B2707 4.497 -58.305 49.304 1.00 0.00 C ATOM 58135 O4* U B2707 3.504 -59.339 49.036 1.00 0.00 O ATOM 58136 C3* U B2707 3.734 -57.274 50.135 1.00 0.00 C ATOM 58137 O3* U B2707 4.319 -56.010 50.044 1.00 0.00 O ATOM 58138 C2* U B2707 2.342 -57.322 49.509 1.00 0.00 C ATOM 58139 O2* U B2707 2.323 -56.634 48.270 1.00 0.00 O ATOM 58140 C1* U B2707 2.199 -58.809 49.194 1.00 0.00 C ATOM 58141 N1 U B2707 1.512 -59.582 50.264 1.00 0.00 N ATOM 58142 C2 U B2707 0.153 -59.420 50.382 1.00 0.00 C ATOM 58143 O2 U B2707 -0.491 -58.681 49.656 1.00 0.00 O ATOM 58144 N3 U B2707 -0.449 -60.155 51.381 1.00 0.00 N ATOM 58145 C4 U B2707 0.181 -61.019 52.258 1.00 0.00 C ATOM 58146 O4 U B2707 -0.466 -61.622 53.115 1.00 0.00 O ATOM 58147 C5 U B2707 1.606 -61.120 52.057 1.00 0.00 C ATOM 58148 C6 U B2707 2.219 -60.419 51.090 1.00 0.00 C ATOM 58149 P G B2708 4.270 -55.029 51.345 1.00 0.00 P ATOM 58150 O1P G B2708 5.238 -53.919 51.188 1.00 0.00 O ATOM 58151 O2P G B2708 4.412 -55.835 52.579 1.00 0.00 O ATOM 58152 O5* G B2708 2.778 -54.462 51.239 1.00 0.00 O ATOM 58153 C5* G B2708 2.395 -53.720 50.068 1.00 0.00 C ATOM 58154 C4* G B2708 0.916 -53.391 50.120 1.00 0.00 C ATOM 58155 O4* G B2708 0.156 -54.627 49.990 1.00 0.00 O ATOM 58156 C3* G B2708 0.414 -52.788 51.433 1.00 0.00 C ATOM 58157 O3* G B2708 0.614 -51.411 51.468 1.00 0.00 O ATOM 58158 C2* G B2708 -1.065 -53.167 51.416 1.00 0.00 C ATOM 58159 O2* G B2708 -1.787 -52.337 50.522 1.00 0.00 O ATOM 58160 C1* G B2708 -1.017 -54.557 50.786 1.00 0.00 C ATOM 58161 N9 G B2708 -0.964 -55.663 51.781 1.00 0.00 N ATOM 58162 C8 G B2708 0.100 -56.465 52.138 1.00 0.00 C ATOM 58163 N7 G B2708 -0.187 -57.356 53.058 1.00 0.00 N ATOM 58164 C5 G B2708 -1.535 -57.126 53.331 1.00 0.00 C ATOM 58165 C6 G B2708 -2.407 -57.777 54.244 1.00 0.00 C ATOM 58166 O6 G B2708 -2.164 -58.708 55.008 1.00 0.00 O ATOM 58167 N1 G B2708 -3.694 -57.227 54.200 1.00 0.00 N ATOM 58168 C2 G B2708 -4.089 -56.185 53.386 1.00 0.00 C ATOM 58169 N2 G B2708 -5.365 -55.807 53.494 1.00 0.00 N ATOM 58170 N3 G B2708 -3.272 -55.575 52.531 1.00 0.00 N ATOM 58171 C4 G B2708 -2.019 -56.096 52.558 1.00 0.00 C ATOM 58172 P G B2709 0.954 -50.705 52.904 1.00 0.00 P ATOM 58173 O1P G B2709 1.487 -49.339 52.689 1.00 0.00 O ATOM 58174 O2P G B2709 1.806 -51.609 53.706 1.00 0.00 O ATOM 58175 O5* G B2709 -0.509 -50.619 53.550 1.00 0.00 O ATOM 58176 C5* G B2709 -1.527 -49.860 52.873 1.00 0.00 C ATOM 58177 C4* G B2709 -2.854 -50.018 53.591 1.00 0.00 C ATOM 58178 O4* G B2709 -3.309 -51.393 53.434 1.00 0.00 O ATOM 58179 C3* G B2709 -2.820 -49.811 55.104 1.00 0.00 C ATOM 58180 O3* G B2709 -2.922 -48.460 55.435 1.00 0.00 O ATOM 58181 C2* G B2709 -4.030 -50.621 55.563 1.00 0.00 C ATOM 58182 O2* G B2709 -5.235 -49.927 55.292 1.00 0.00 O ATOM 58183 C1* G B2709 -3.981 -51.813 54.611 1.00 0.00 C ATOM 58184 N9 G B2709 -3.248 -52.988 55.163 1.00 0.00 N ATOM 58185 C8 G B2709 -1.997 -53.465 54.837 1.00 0.00 C ATOM 58186 N7 G B2709 -1.642 -54.533 55.514 1.00 0.00 N ATOM 58187 C5 G B2709 -2.736 -54.777 56.346 1.00 0.00 C ATOM 58188 C6 G B2709 -2.938 -55.799 57.307 1.00 0.00 C ATOM 58189 O6 G B2709 -2.185 -56.715 57.630 1.00 0.00 O ATOM 58190 N1 G B2709 -4.189 -55.675 57.927 1.00 0.00 N ATOM 58191 C2 G B2709 -5.121 -54.694 57.653 1.00 0.00 C ATOM 58192 N2 G B2709 -6.258 -54.752 58.353 1.00 0.00 N ATOM 58193 N3 G B2709 -4.929 -53.736 56.750 1.00 0.00 N ATOM 58194 C4 G B2709 -3.721 -53.842 56.139 1.00 0.00 C ATOM 58195 P C B2710 -2.129 -47.917 56.756 1.00 0.00 P ATOM 58196 O1P C B2710 -2.051 -46.437 56.734 1.00 0.00 O ATOM 58197 O2P C B2710 -0.835 -48.626 56.880 1.00 0.00 O ATOM 58198 O5* C B2710 -3.119 -48.388 57.920 1.00 0.00 O ATOM 58199 C5* C B2710 -4.469 -47.885 57.936 1.00 0.00 C ATOM 58200 C4* C B2710 -5.258 -48.557 59.040 1.00 0.00 C ATOM 58201 O4* C B2710 -5.436 -49.964 58.705 1.00 0.00 O ATOM 58202 C3* C B2710 -4.590 -48.586 60.413 1.00 0.00 C ATOM 58203 O3* C B2710 -4.811 -47.403 61.116 1.00 0.00 O ATOM 58204 C2* C B2710 -5.258 -49.794 61.069 1.00 0.00 C ATOM 58205 O2* C B2710 -6.572 -49.472 61.494 1.00 0.00 O ATOM 58206 C1* C B2710 -5.395 -50.749 59.887 1.00 0.00 C ATOM 58207 N1 C B2710 -4.262 -51.709 59.762 1.00 0.00 N ATOM 58208 C2 C B2710 -4.204 -52.763 60.666 1.00 0.00 C ATOM 58209 O2 C B2710 -5.084 -52.860 61.530 1.00 0.00 O ATOM 58210 N3 C B2710 -3.181 -53.653 60.569 1.00 0.00 N ATOM 58211 C4 C B2710 -2.247 -53.516 59.621 1.00 0.00 C ATOM 58212 N4 C B2710 -1.271 -54.409 59.566 1.00 0.00 N ATOM 58213 C5 C B2710 -2.289 -52.439 58.678 1.00 0.00 C ATOM 58214 C6 C B2710 -3.320 -51.561 58.792 1.00 0.00 C ATOM 58215 P A B2711 -3.640 -46.850 62.113 1.00 0.00 P ATOM 58216 O1P A B2711 -3.897 -45.438 62.469 1.00 0.00 O ATOM 58217 O2P A B2711 -2.315 -47.135 61.521 1.00 0.00 O ATOM 58218 O5* A B2711 -3.874 -47.782 63.392 1.00 0.00 O ATOM 58219 C5* A B2711 -5.140 -47.730 64.073 1.00 0.00 C ATOM 58220 C4* A B2711 -5.184 -48.776 65.168 1.00 0.00 C ATOM 58221 O4* A B2711 -5.193 -50.099 64.558 1.00 0.00 O ATOM 58222 C3* A B2711 -3.977 -48.811 66.106 1.00 0.00 C ATOM 58223 O3* A B2711 -4.101 -47.878 67.134 1.00 0.00 O ATOM 58224 C2* A B2711 -4.003 -50.250 66.610 1.00 0.00 C ATOM 58225 O2* A B2711 -5.019 -50.422 67.586 1.00 0.00 O ATOM 58226 C1* A B2711 -4.455 -51.007 65.366 1.00 0.00 C ATOM 58227 N9 A B2711 -3.329 -51.540 64.547 1.00 0.00 N ATOM 58228 C8 A B2711 -2.844 -51.084 63.340 1.00 0.00 C ATOM 58229 N7 A B2711 -1.844 -51.773 62.885 1.00 0.00 N ATOM 58230 C5 A B2711 -1.646 -52.755 63.845 1.00 0.00 C ATOM 58231 C6 A B2711 -0.725 -53.810 63.945 1.00 0.00 C ATOM 58232 N6 A B2711 0.215 -54.061 63.022 1.00 0.00 N ATOM 58233 N1 A B2711 -0.803 -54.600 65.031 1.00 0.00 N ATOM 58234 C2 A B2711 -1.738 -54.344 65.945 1.00 0.00 C ATOM 58235 N3 A B2711 -2.647 -53.393 65.960 1.00 0.00 N ATOM 58236 C4 A B2711 -2.547 -52.617 64.861 1.00 0.00 C ATOM 58237 P C B2712 -2.707 -46.820 66.467 1.00 0.00 P ATOM 58238 O1P C B2712 -1.707 -46.558 67.523 1.00 0.00 O ATOM 58239 O2P C B2712 -3.225 -45.623 65.759 1.00 0.00 O ATOM 58240 O5* C B2712 -1.953 -48.014 65.287 1.00 0.00 O ATOM 58241 C5* C B2712 -0.920 -48.851 64.753 1.00 0.00 C ATOM 58242 C4* C B2712 0.446 -48.043 64.432 1.00 0.00 C ATOM 58243 O4* C B2712 1.601 -48.777 63.941 1.00 0.00 O ATOM 58244 C3* C B2712 0.477 -46.735 63.634 1.00 0.00 C ATOM 58245 O3* C B2712 -0.439 -45.630 64.166 1.00 0.00 O ATOM 58246 C2* C B2712 1.977 -46.472 63.515 1.00 0.00 C ATOM 58247 O2* C B2712 2.499 -45.974 64.735 1.00 0.00 O ATOM 58248 C1* C B2712 2.525 -47.884 63.342 1.00 0.00 C ATOM 58249 N1 C B2712 2.760 -48.362 61.721 1.00 0.00 N ATOM 58250 C2 C B2712 3.469 -47.503 60.885 1.00 0.00 C ATOM 58251 O2 C B2712 3.885 -46.432 61.348 1.00 0.00 O ATOM 58252 N3 C B2712 3.674 -47.863 59.593 1.00 0.00 N ATOM 58253 C4 C B2712 3.204 -49.033 59.133 1.00 0.00 C ATOM 58254 N4 C B2712 3.435 -49.342 57.865 1.00 0.00 N ATOM 58255 C5 C B2712 2.477 -49.933 59.973 1.00 0.00 C ATOM 58256 C6 C B2712 2.279 -49.549 61.259 1.00 0.00 C ATOM 58257 P U B2713 -0.449 -44.025 63.305 1.00 0.00 P ATOM 58258 O1P U B2713 -1.689 -43.806 62.527 1.00 0.00 O ATOM 58259 O2P U B2713 0.814 -43.742 62.591 1.00 0.00 O ATOM 58260 O5* U B2713 -0.543 -43.196 64.916 1.00 0.00 O ATOM 58261 C5* U B2713 0.138 -42.603 66.016 1.00 0.00 C ATOM 58262 C4* U B2713 -0.087 -43.350 67.427 1.00 0.00 C ATOM 58263 O4* U B2713 -1.212 -43.005 68.282 1.00 0.00 O ATOM 58264 C3* U B2713 0.213 -44.807 67.773 1.00 0.00 C ATOM 58265 O3* U B2713 1.601 -45.427 67.033 1.00 0.00 O ATOM 58266 C2* U B2713 -0.082 -44.844 69.272 1.00 0.00 C ATOM 58267 O2* U B2713 0.975 -44.251 70.007 1.00 0.00 O ATOM 58268 C1* U B2713 -1.280 -43.907 69.376 1.00 0.00 C ATOM 58269 N1 U B2713 -2.798 -44.684 69.339 1.00 0.00 N ATOM 58270 C2 U B2713 -3.055 -45.604 70.330 1.00 0.00 C ATOM 58271 O2 U B2713 -2.220 -45.944 71.152 1.00 0.00 O ATOM 58272 N3 U B2713 -4.331 -46.130 70.334 1.00 0.00 N ATOM 58273 C4 U B2713 -5.347 -45.819 69.457 1.00 0.00 C ATOM 58274 O4 U B2713 -6.454 -46.354 69.564 1.00 0.00 O ATOM 58275 C5 U B2713 -4.984 -44.847 68.453 1.00 0.00 C ATOM 58276 C6 U B2713 -3.750 -44.321 68.425 1.00 0.00 C ATOM 58277 P G B2714 3.256 -44.907 67.854 1.00 0.00 P ATOM 58278 O1P G B2714 2.239 -43.912 68.262 1.00 0.00 O ATOM 58279 O2P G B2714 4.644 -44.404 67.754 1.00 0.00 O ATOM 58280 O5* G B2714 3.208 -46.170 68.835 1.00 0.00 O ATOM 58281 C5* G B2714 2.179 -46.235 69.839 1.00 0.00 C ATOM 58282 C4* G B2714 2.245 -47.562 70.565 1.00 0.00 C ATOM 58283 O4* G B2714 1.870 -48.624 69.641 1.00 0.00 O ATOM 58284 C3* G B2714 3.629 -47.979 71.065 1.00 0.00 C ATOM 58285 O3* G B2714 3.922 -47.408 72.301 1.00 0.00 O ATOM 58286 C2* G B2714 3.498 -49.498 71.135 1.00 0.00 C ATOM 58287 O2* G B2714 2.750 -49.888 72.275 1.00 0.00 O ATOM 58288 C1* G B2714 2.629 -49.790 69.915 1.00 0.00 C ATOM 58289 N9 G B2714 3.410 -50.127 68.691 1.00 0.00 N ATOM 58290 C8 G B2714 3.645 -49.364 67.570 1.00 0.00 C ATOM 58291 N7 G B2714 4.380 -49.959 66.662 1.00 0.00 N ATOM 58292 C5 G B2714 4.650 -51.207 67.222 1.00 0.00 C ATOM 58293 C6 G B2714 5.400 -52.295 66.707 1.00 0.00 C ATOM 58294 O6 G B2714 5.992 -52.385 65.634 1.00 0.00 O ATOM 58295 N1 G B2714 5.421 -53.373 67.603 1.00 0.00 N ATOM 58296 C2 G B2714 4.797 -53.395 68.836 1.00 0.00 C ATOM 58297 N2 G B2714 4.934 -54.519 69.543 1.00 0.00 N ATOM 58298 N3 G B2714 4.092 -52.375 69.318 1.00 0.00 N ATOM 58299 C4 G B2714 4.062 -51.320 68.458 1.00 0.00 C ATOM 58300 P C B2715 5.470 -47.002 72.631 1.00 0.00 P ATOM 58301 O1P C B2715 5.521 -46.097 73.799 1.00 0.00 O ATOM 58302 O2P C B2715 6.120 -46.504 71.399 1.00 0.00 O ATOM 58303 O5* C B2715 6.075 -48.430 73.027 1.00 0.00 O ATOM 58304 C5* C B2715 5.517 -49.139 74.148 1.00 0.00 C ATOM 58305 C4* C B2715 6.153 -50.510 74.261 1.00 0.00 C ATOM 58306 O4* C B2715 5.737 -51.318 73.123 1.00 0.00 O ATOM 58307 C3* C B2715 7.680 -50.543 74.200 1.00 0.00 C ATOM 58308 O3* C B2715 8.250 -50.293 75.447 1.00 0.00 O ATOM 58309 C2* C B2715 7.948 -51.965 73.706 1.00 0.00 C ATOM 58310 O2* C B2715 7.771 -52.902 74.755 1.00 0.00 O ATOM 58311 C1* C B2715 6.798 -52.172 72.725 1.00 0.00 C ATOM 58312 N1 C B2715 7.149 -51.844 71.315 1.00 0.00 N ATOM 58313 C2 C B2715 7.961 -52.737 70.624 1.00 0.00 C ATOM 58314 O2 C B2715 8.357 -53.756 71.205 1.00 0.00 O ATOM 58315 N3 C B2715 8.293 -52.456 69.338 1.00 0.00 N ATOM 58316 C4 C B2715 7.844 -51.343 68.745 1.00 0.00 C ATOM 58317 N4 C B2715 8.196 -51.114 67.488 1.00 0.00 N ATOM 58318 C5 C B2715 7.007 -50.411 69.439 1.00 0.00 C ATOM 58319 C6 C B2715 6.688 -50.710 70.723 1.00 0.00 C ATOM 58320 P C B2716 9.668 -49.488 75.513 1.00 0.00 P ATOM 58321 O1P C B2716 9.915 -49.000 76.889 1.00 0.00 O ATOM 58322 O2P C B2716 9.700 -48.458 74.451 1.00 0.00 O ATOM 58323 O5* C B2716 10.696 -50.662 75.161 1.00 0.00 O ATOM 58324 C5* C B2716 10.762 -51.814 76.020 1.00 0.00 C ATOM 58325 C4* C B2716 11.701 -52.848 75.435 1.00 0.00 C ATOM 58326 O4* C B2716 11.112 -53.381 74.214 1.00 0.00 O ATOM 58327 C3* C B2716 13.066 -52.326 74.989 1.00 0.00 C ATOM 58328 O3* C B2716 13.964 -52.265 76.052 1.00 0.00 O ATOM 58329 C2* C B2716 13.471 -53.355 73.934 1.00 0.00 C ATOM 58330 O2* C B2716 13.908 -54.557 74.544 1.00 0.00 O ATOM 58331 C1* C B2716 12.132 -53.655 73.268 1.00 0.00 C ATOM 58332 N1 C B2716 11.870 -52.830 72.055 1.00 0.00 N ATOM 58333 C2 C B2716 12.571 -53.142 70.893 1.00 0.00 C ATOM 58334 O2 C B2716 13.376 -54.080 70.916 1.00 0.00 O ATOM 58335 N3 C B2716 12.346 -52.401 69.777 1.00 0.00 N ATOM 58336 C4 C B2716 11.464 -51.392 69.794 1.00 0.00 C ATOM 58337 N4 C B2716 11.280 -50.702 68.681 1.00 0.00 N ATOM 58338 C5 C B2716 10.732 -51.057 70.977 1.00 0.00 C ATOM 58339 C6 C B2716 10.972 -51.808 72.082 1.00 0.00 C ATOM 58340 P C B2717 15.080 -51.074 76.072 1.00 0.00 P ATOM 58341 O1P C B2717 15.678 -50.955 77.419 1.00 0.00 O ATOM 58342 O2P C B2717 14.486 -49.835 75.517 1.00 0.00 O ATOM 58343 O5* C B2717 16.162 -51.660 75.049 1.00 0.00 O ATOM 58344 C5* C B2717 16.802 -52.913 75.349 1.00 0.00 C ATOM 58345 C4* C B2717 17.689 -53.334 74.195 1.00 0.00 C ATOM 58346 O4* C B2717 16.848 -53.661 73.049 1.00 0.00 O ATOM 58347 C3* C B2717 18.639 -52.265 73.661 1.00 0.00 C ATOM 58348 O3* C B2717 19.817 -52.205 74.406 1.00 0.00 O ATOM 58349 C2* C B2717 18.874 -52.731 72.226 1.00 0.00 C ATOM 58350 O2* C B2717 19.774 -53.828 72.196 1.00 0.00 O ATOM 58351 C1* C B2717 17.499 -53.274 71.851 1.00 0.00 C ATOM 58352 N1 C B2717 16.633 -52.279 71.159 1.00 0.00 N ATOM 58353 C2 C B2717 16.928 -51.973 69.833 1.00 0.00 C ATOM 58354 O2 C B2717 17.885 -52.532 69.289 1.00 0.00 O ATOM 58355 N3 C B2717 16.150 -51.067 69.185 1.00 0.00 N ATOM 58356 C4 C B2717 15.121 -50.481 69.807 1.00 0.00 C ATOM 58357 N4 C B2717 14.392 -49.604 69.131 1.00 0.00 N ATOM 58358 C5 C B2717 14.800 -50.781 71.170 1.00 0.00 C ATOM 58359 C6 C B2717 15.590 -51.687 71.801 1.00 0.00 C ATOM 58360 P G B2718 20.546 -50.760 74.607 1.00 0.00 P ATOM 58361 O1P G B2718 21.539 -50.837 75.703 1.00 0.00 O ATOM 58362 O2P G B2718 19.518 -49.703 74.743 1.00 0.00 O ATOM 58363 O5* G B2718 21.302 -50.604 73.205 1.00 0.00 O ATOM 58364 C5* G B2718 22.283 -51.587 72.830 1.00 0.00 C ATOM 58365 C4* G B2718 22.774 -51.315 71.422 1.00 0.00 C ATOM 58366 O4* G B2718 21.685 -51.568 70.488 1.00 0.00 O ATOM 58367 C3* G B2718 23.188 -49.875 71.126 1.00 0.00 C ATOM 58368 O3* G B2718 24.502 -49.630 71.518 1.00 0.00 O ATOM 58369 C2* G B2718 23.001 -49.793 69.611 1.00 0.00 C ATOM 58370 O2* G B2718 24.062 -50.448 68.937 1.00 0.00 O ATOM 58371 C1* G B2718 21.752 -50.647 69.409 1.00 0.00 C ATOM 58372 N9 G B2718 20.487 -49.861 69.394 1.00 0.00 N ATOM 58373 C8 G B2718 19.512 -49.766 70.363 1.00 0.00 C ATOM 58374 N7 G B2718 18.513 -48.980 70.037 1.00 0.00 N ATOM 58375 C5 G B2718 18.851 -48.524 68.762 1.00 0.00 C ATOM 58376 C6 G B2718 18.156 -47.646 67.891 1.00 0.00 C ATOM 58377 O6 G B2718 17.081 -47.076 68.069 1.00 0.00 O ATOM 58378 N1 G B2718 18.857 -47.452 66.695 1.00 0.00 N ATOM 58379 C2 G B2718 20.070 -48.032 66.378 1.00 0.00 C ATOM 58380 N2 G B2718 20.576 -47.721 65.183 1.00 0.00 N ATOM 58381 N3 G B2718 20.722 -48.857 67.196 1.00 0.00 N ATOM 58382 C4 G B2718 20.055 -49.056 68.363 1.00 0.00 C ATOM 58383 P G B2719 25.036 -50.142 73.288 1.00 0.00 P ATOM 58384 O1P G B2719 26.507 -50.210 73.209 1.00 0.00 O ATOM 58385 O2P G B2719 24.353 -51.383 73.723 1.00 0.00 O ATOM 58386 O5* G B2719 24.542 -48.821 74.563 1.00 0.00 O ATOM 58387 C5* G B2719 23.863 -47.948 75.624 1.00 0.00 C ATOM 58388 C4* G B2719 24.521 -46.741 76.593 1.00 0.00 C ATOM 58389 O4* G B2719 24.508 -45.304 76.359 1.00 0.00 O ATOM 58390 C3* G B2719 25.050 -46.870 78.025 1.00 0.00 C ATOM 58391 O3* G B2719 25.385 -48.290 78.484 1.00 0.00 O ATOM 58392 C2* G B2719 26.072 -45.737 78.096 1.00 0.00 C ATOM 58393 O2* G B2719 27.261 -46.093 77.412 1.00 0.00 O ATOM 58394 C1* G B2719 25.389 -44.658 77.265 1.00 0.00 C ATOM 58395 N9 G B2719 24.475 -43.502 78.187 1.00 0.00 N ATOM 58396 C8 G B2719 23.461 -43.721 79.090 1.00 0.00 C ATOM 58397 N7 G B2719 23.027 -42.626 79.675 1.00 0.00 N ATOM 58398 C5 G B2719 23.815 -41.615 79.118 1.00 0.00 C ATOM 58399 C6 G B2719 23.814 -40.219 79.355 1.00 0.00 C ATOM 58400 O6 G B2719 23.105 -39.568 80.123 1.00 0.00 O ATOM 58401 N1 G B2719 24.775 -39.559 78.580 1.00 0.00 N ATOM 58402 C2 G B2719 25.632 -40.180 77.688 1.00 0.00 C ATOM 58403 N2 G B2719 26.483 -39.384 77.037 1.00 0.00 N ATOM 58404 N3 G B2719 25.629 -41.490 77.462 1.00 0.00 N ATOM 58405 C4 G B2719 24.701 -42.141 78.207 1.00 0.00 C ATOM 58406 P U B2720 27.115 -48.750 78.898 1.00 0.00 P ATOM 58407 O1P U B2720 27.203 -50.215 79.096 1.00 0.00 O ATOM 58408 O2P U B2720 27.658 -47.921 79.997 1.00 0.00 O ATOM 58409 O5* U B2720 27.815 -48.284 77.269 1.00 0.00 O ATOM 58410 C5* U B2720 27.048 -48.200 76.059 1.00 0.00 C ATOM 58411 C4* U B2720 27.440 -47.287 74.727 1.00 0.00 C ATOM 58412 O4* U B2720 26.787 -48.000 73.634 1.00 0.00 O ATOM 58413 C3* U B2720 27.101 -45.820 74.467 1.00 0.00 C ATOM 58414 O3* U B2720 27.889 -44.717 75.208 1.00 0.00 O ATOM 58415 C2* U B2720 27.130 -45.749 72.939 1.00 0.00 C ATOM 58416 O2* U B2720 28.463 -45.736 72.464 1.00 0.00 O ATOM 58417 C1* U B2720 26.539 -47.103 72.560 1.00 0.00 C ATOM 58418 N1 U B2720 24.847 -47.086 72.249 1.00 0.00 N ATOM 58419 C2 U B2720 24.454 -47.064 70.931 1.00 0.00 C ATOM 58420 O2 U B2720 25.242 -47.007 70.004 1.00 0.00 O ATOM 58421 N3 U B2720 23.091 -47.115 70.718 1.00 0.00 N ATOM 58422 C4 U B2720 22.114 -47.177 71.689 1.00 0.00 C ATOM 58423 O4 U B2720 20.918 -47.220 71.377 1.00 0.00 O ATOM 58424 C5 U B2720 22.622 -47.191 73.037 1.00 0.00 C ATOM 58425 C6 U B2720 23.943 -47.145 73.276 1.00 0.00 C ATOM 58426 P A B2721 28.260 -43.164 74.302 1.00 0.00 P ATOM 58427 O1P A B2721 28.582 -42.044 75.219 1.00 0.00 O ATOM 58428 O2P A B2721 27.251 -42.870 73.261 1.00 0.00 O ATOM 58429 O5* A B2721 29.767 -43.896 73.595 1.00 0.00 O ATOM 58430 C5* A B2721 30.835 -44.501 72.864 1.00 0.00 C ATOM 58431 C4* A B2721 30.887 -46.124 72.939 1.00 0.00 C ATOM 58432 O4* A B2721 30.688 -46.937 74.129 1.00 0.00 O ATOM 58433 C3* A B2721 31.396 -47.114 71.895 1.00 0.00 C ATOM 58434 O3* A B2721 31.549 -46.837 70.412 1.00 0.00 O ATOM 58435 C2* A B2721 32.255 -48.048 72.737 1.00 0.00 C ATOM 58436 O2* A B2721 33.498 -47.441 73.056 1.00 0.00 O ATOM 58437 C1* A B2721 31.453 -48.127 74.029 1.00 0.00 C ATOM 58438 N9 A B2721 30.407 -49.439 74.126 1.00 0.00 N ATOM 58439 C8 A B2721 29.541 -49.770 75.144 1.00 0.00 C ATOM 58440 N7 A B2721 28.735 -50.745 74.856 1.00 0.00 N ATOM 58441 C5 A B2721 29.080 -51.094 73.556 1.00 0.00 C ATOM 58442 C6 A B2721 28.587 -52.068 72.675 1.00 0.00 C ATOM 58443 N6 A B2721 27.590 -52.908 72.982 1.00 0.00 N ATOM 58444 N1 A B2721 29.157 -52.149 71.460 1.00 0.00 N ATOM 58445 C2 A B2721 30.147 -51.308 71.158 1.00 0.00 C ATOM 58446 N3 A B2721 30.686 -50.360 71.896 1.00 0.00 N ATOM 58447 C4 A B2721 30.097 -50.300 73.107 1.00 0.00 C ATOM 58448 P G B2722 33.277 -46.516 69.992 1.00 0.00 P ATOM 58449 O1P G B2722 33.463 -45.934 68.646 1.00 0.00 O ATOM 58450 O2P G B2722 34.165 -47.650 70.328 1.00 0.00 O ATOM 58451 O5* G B2722 33.286 -45.404 71.416 1.00 0.00 O ATOM 58452 C5* G B2722 34.485 -45.173 72.155 1.00 0.00 C ATOM 58453 C4* G B2722 35.116 -43.930 71.377 1.00 0.00 C ATOM 58454 O4* G B2722 35.455 -44.065 69.967 1.00 0.00 O ATOM 58455 C3* G B2722 34.397 -42.581 71.453 1.00 0.00 C ATOM 58456 O3* G B2722 34.541 -42.111 72.985 1.00 0.00 O ATOM 58457 C2* G B2722 35.162 -41.753 70.420 1.00 0.00 C ATOM 58458 O2* G B2722 36.416 -41.338 70.937 1.00 0.00 O ATOM 58459 C1* G B2722 35.445 -42.790 69.342 1.00 0.00 C ATOM 58460 N9 G B2722 34.291 -42.825 68.050 1.00 0.00 N ATOM 58461 C8 G B2722 33.712 -43.914 67.432 1.00 0.00 C ATOM 58462 N7 G B2722 32.981 -43.606 66.386 1.00 0.00 N ATOM 58463 C5 G B2722 33.078 -42.218 66.314 1.00 0.00 C ATOM 58464 C6 G B2722 32.499 -41.308 65.390 1.00 0.00 C ATOM 58465 O6 G B2722 31.769 -41.547 64.434 1.00 0.00 O ATOM 58466 N1 G B2722 32.855 -39.987 65.680 1.00 0.00 N ATOM 58467 C2 G B2722 33.666 -39.591 66.727 1.00 0.00 C ATOM 58468 N2 G B2722 33.889 -38.279 66.838 1.00 0.00 N ATOM 58469 N3 G B2722 34.207 -40.445 67.593 1.00 0.00 N ATOM 58470 C4 G B2722 33.875 -41.733 67.326 1.00 0.00 C ATOM 58471 P C B2723 35.611 -40.827 73.844 1.00 0.00 P ATOM 58472 O1P C B2723 36.352 -39.967 72.894 1.00 0.00 O ATOM 58473 O2P C B2723 36.428 -41.519 74.859 1.00 0.00 O ATOM 58474 O5* C B2723 34.352 -39.730 74.678 1.00 0.00 O ATOM 58475 C5* C B2723 33.825 -38.349 74.611 1.00 0.00 C ATOM 58476 C4* C B2723 32.689 -37.817 75.707 1.00 0.00 C ATOM 58477 O4* C B2723 33.401 -37.848 76.980 1.00 0.00 O ATOM 58478 C3* C B2723 32.044 -36.432 75.678 1.00 0.00 C ATOM 58479 O3* C B2723 30.913 -36.095 74.580 1.00 0.00 O ATOM 58480 C2* C B2723 31.679 -36.220 77.144 1.00 0.00 C ATOM 58481 O2* C B2723 30.523 -36.968 77.486 1.00 0.00 O ATOM 58482 C1* C B2723 32.855 -36.871 77.857 1.00 0.00 C ATOM 58483 N1 C B2723 34.103 -35.794 78.304 1.00 0.00 N ATOM 58484 C2 C B2723 33.757 -34.683 79.066 1.00 0.00 C ATOM 58485 O2 C B2723 32.567 -34.502 79.357 1.00 0.00 O ATOM 58486 N3 C B2723 34.741 -33.839 79.478 1.00 0.00 N ATOM 58487 C4 C B2723 36.021 -34.071 79.143 1.00 0.00 C ATOM 58488 N4 C B2723 36.941 -33.218 79.564 1.00 0.00 N ATOM 58489 C5 C B2723 36.397 -35.209 78.357 1.00 0.00 C ATOM 58490 C6 C B2723 35.396 -36.037 77.960 1.00 0.00 C ATOM 58491 P U B2724 29.071 -36.052 75.009 1.00 0.00 P ATOM 58492 O1P U B2724 28.876 -35.090 76.115 1.00 0.00 O ATOM 58493 O2P U B2724 28.656 -37.444 75.286 1.00 0.00 O ATOM 58494 O5* U B2724 28.005 -35.443 73.579 1.00 0.00 O ATOM 58495 C5* U B2724 26.557 -35.186 73.190 1.00 0.00 C ATOM 58496 C4* U B2724 25.349 -35.936 74.090 1.00 0.00 C ATOM 58497 O4* U B2724 25.985 -36.242 75.361 1.00 0.00 O ATOM 58498 C3* U B2724 23.953 -35.444 74.488 1.00 0.00 C ATOM 58499 O3* U B2724 22.687 -35.421 73.553 1.00 0.00 O ATOM 58500 C2* U B2724 23.634 -36.324 75.693 1.00 0.00 C ATOM 58501 O2* U B2724 23.270 -37.629 75.279 1.00 0.00 O ATOM 58502 C1* U B2724 24.997 -36.438 76.366 1.00 0.00 C ATOM 58503 N1 U B2724 25.266 -35.329 77.592 1.00 0.00 N ATOM 58504 C2 U B2724 24.229 -35.096 78.461 1.00 0.00 C ATOM 58505 O2 U B2724 23.148 -35.659 78.371 1.00 0.00 O ATOM 58506 N3 U B2724 24.487 -34.182 79.459 1.00 0.00 N ATOM 58507 C4 U B2724 25.667 -33.490 79.655 1.00 0.00 C ATOM 58508 O4 U B2724 25.781 -32.691 80.587 1.00 0.00 O ATOM 58509 C5 U B2724 26.696 -33.796 78.692 1.00 0.00 C ATOM 58510 C6 U B2724 26.473 -34.689 77.708 1.00 0.00 C ATOM 58511 P A B2725 22.529 -36.645 72.160 1.00 0.00 P ATOM 58512 O1P A B2725 23.158 -37.943 72.488 1.00 0.00 O ATOM 58513 O2P A B2725 23.090 -35.936 70.984 1.00 0.00 O ATOM 58514 O5* A B2725 20.702 -36.943 71.941 1.00 0.00 O ATOM 58515 C5* A B2725 19.640 -37.325 70.961 1.00 0.00 C ATOM 58516 C4* A B2725 18.554 -38.600 71.198 1.00 0.00 C ATOM 58517 O4* A B2725 19.105 -39.329 72.334 1.00 0.00 O ATOM 58518 C3* A B2725 17.123 -38.273 71.628 1.00 0.00 C ATOM 58519 O3* A B2725 16.296 -38.066 70.261 1.00 0.00 O ATOM 58520 C2* A B2725 16.738 -39.516 72.427 1.00 0.00 C ATOM 58521 O2* A B2725 16.440 -40.598 71.563 1.00 0.00 O ATOM 58522 C1* A B2725 18.051 -39.854 73.126 1.00 0.00 C ATOM 58523 N9 A B2725 18.200 -39.226 74.696 1.00 0.00 N ATOM 58524 C8 A B2725 17.700 -39.742 75.872 1.00 0.00 C ATOM 58525 N7 A B2725 18.145 -39.156 76.936 1.00 0.00 N ATOM 58526 C5 A B2725 19.009 -38.177 76.443 1.00 0.00 C ATOM 58527 C6 A B2725 19.800 -37.209 77.075 1.00 0.00 C ATOM 58528 N6 A B2725 19.862 -37.057 78.409 1.00 0.00 N ATOM 58529 N1 A B2725 20.536 -36.399 76.286 1.00 0.00 N ATOM 58530 C2 A B2725 20.471 -36.558 74.969 1.00 0.00 C ATOM 58531 N3 A B2725 19.767 -37.423 74.266 1.00 0.00 N ATOM 58532 C4 A B2725 19.040 -38.218 75.081 1.00 0.00 C ATOM 58533 P A B2726 14.481 -38.439 70.021 1.00 0.00 P ATOM 58534 O1P A B2726 13.724 -37.192 70.282 1.00 0.00 O ATOM 58535 O2P A B2726 14.074 -39.614 70.821 1.00 0.00 O ATOM 58536 O5* A B2726 14.293 -38.835 68.198 1.00 0.00 O ATOM 58537 C5* A B2726 13.193 -38.520 67.221 1.00 0.00 C ATOM 58538 C4* A B2726 12.768 -39.437 65.882 1.00 0.00 C ATOM 58539 O4* A B2726 12.465 -40.831 66.178 1.00 0.00 O ATOM 58540 C3* A B2726 11.697 -39.038 64.863 1.00 0.00 C ATOM 58541 O3* A B2726 11.846 -37.750 63.801 1.00 0.00 O ATOM 58542 C2* A B2726 11.530 -40.325 64.055 1.00 0.00 C ATOM 58543 O2* A B2726 12.608 -40.489 63.149 1.00 0.00 O ATOM 58544 C1* A B2726 11.688 -41.389 65.134 1.00 0.00 C ATOM 58545 N9 A B2726 10.241 -41.944 65.790 1.00 0.00 N ATOM 58546 C8 A B2726 8.952 -41.637 65.408 1.00 0.00 C ATOM 58547 N7 A B2726 8.046 -42.338 66.018 1.00 0.00 N ATOM 58548 C5 A B2726 8.771 -43.171 66.858 1.00 0.00 C ATOM 58549 C6 A B2726 8.384 -44.159 67.777 1.00 0.00 C ATOM 58550 N6 A B2726 7.108 -44.493 68.007 1.00 0.00 N ATOM 58551 N1 A B2726 9.363 -44.792 68.449 1.00 0.00 N ATOM 58552 C2 A B2726 10.627 -44.456 68.215 1.00 0.00 C ATOM 58553 N3 A B2726 11.107 -43.556 67.384 1.00 0.00 N ATOM 58554 C4 A B2726 10.107 -42.933 66.722 1.00 0.00 C ATOM 58555 P A B2727 13.154 -36.566 63.061 1.00 0.00 P ATOM 58556 O1P A B2727 12.866 -35.207 63.576 1.00 0.00 O ATOM 58557 O2P A B2727 13.416 -36.660 61.609 1.00 0.00 O ATOM 58558 O5* A B2727 14.373 -37.204 63.876 1.00 0.00 O ATOM 58559 C5* A B2727 14.096 -38.203 64.877 1.00 0.00 C ATOM 58560 C4* A B2727 15.395 -38.758 65.425 1.00 0.00 C ATOM 58561 O4* A B2727 16.067 -39.516 64.378 1.00 0.00 O ATOM 58562 C3* A B2727 16.436 -37.718 65.852 1.00 0.00 C ATOM 58563 O3* A B2727 16.201 -37.262 67.145 1.00 0.00 O ATOM 58564 C2* A B2727 17.740 -38.506 65.729 1.00 0.00 C ATOM 58565 O2* A B2727 17.890 -39.399 66.818 1.00 0.00 O ATOM 58566 C1* A B2727 17.470 -39.359 64.491 1.00 0.00 C ATOM 58567 N9 A B2727 17.969 -38.749 63.227 1.00 0.00 N ATOM 58568 C8 A B2727 17.256 -38.153 62.212 1.00 0.00 C ATOM 58569 N7 A B2727 17.991 -37.716 61.237 1.00 0.00 N ATOM 58570 C5 A B2727 19.285 -38.041 61.620 1.00 0.00 C ATOM 58571 C6 A B2727 20.528 -37.844 61.010 1.00 0.00 C ATOM 58572 N6 A B2727 20.683 -37.241 59.821 1.00 0.00 N ATOM 58573 N1 A B2727 21.620 -38.288 61.665 1.00 0.00 N ATOM 58574 C2 A B2727 21.462 -38.885 62.843 1.00 0.00 C ATOM 58575 N3 A B2727 20.352 -39.125 63.511 1.00 0.00 N ATOM 58576 C4 A B2727 19.279 -38.669 62.833 1.00 0.00 C ATOM 58577 P U B2728 16.561 -35.711 67.506 1.00 0.00 P ATOM 58578 O1P U B2728 15.915 -35.319 68.782 1.00 0.00 O ATOM 58579 O2P U B2728 16.256 -34.852 66.341 1.00 0.00 O ATOM 58580 O5* U B2728 18.145 -35.807 67.710 1.00 0.00 O ATOM 58581 C5* U B2728 18.665 -36.669 68.741 1.00 0.00 C ATOM 58582 C4* U B2728 20.177 -36.705 68.672 1.00 0.00 C ATOM 58583 O4* U B2728 20.578 -37.379 67.445 1.00 0.00 O ATOM 58584 C3* U B2728 20.874 -35.345 68.589 1.00 0.00 C ATOM 58585 O3* U B2728 21.046 -34.780 69.850 1.00 0.00 O ATOM 58586 C2* U B2728 22.195 -35.705 67.915 1.00 0.00 C ATOM 58587 O2* U B2728 23.077 -36.319 68.836 1.00 0.00 O ATOM 58588 C1* U B2728 21.758 -36.780 66.930 1.00 0.00 C ATOM 58589 N1 U B2728 21.451 -36.260 65.568 1.00 0.00 N ATOM 58590 C2 U B2728 22.519 -35.898 64.784 1.00 0.00 C ATOM 58591 O2 U B2728 23.677 -35.988 65.153 1.00 0.00 O ATOM 58592 N3 U B2728 22.196 -35.421 63.528 1.00 0.00 N ATOM 58593 C4 U B2728 20.928 -35.276 63.007 1.00 0.00 C ATOM 58594 O4 U B2728 20.764 -34.836 61.867 1.00 0.00 O ATOM 58595 C5 U B2728 19.873 -35.683 63.906 1.00 0.00 C ATOM 58596 C6 U B2728 20.156 -36.150 65.131 1.00 0.00 C ATOM 58597 P G B2729 20.961 -33.157 70.002 1.00 0.00 P ATOM 58598 O1P G B2729 20.801 -32.781 71.425 1.00 0.00 O ATOM 58599 O2P G B2729 19.932 -32.629 69.077 1.00 0.00 O ATOM 58600 O5* G B2729 22.418 -32.731 69.492 1.00 0.00 O ATOM 58601 C5* G B2729 23.575 -33.216 70.197 1.00 0.00 C ATOM 58602 C4* G B2729 24.839 -32.797 69.473 1.00 0.00 C ATOM 58603 O4* G B2729 24.908 -33.505 68.202 1.00 0.00 O ATOM 58604 C3* G B2729 24.921 -31.320 69.077 1.00 0.00 C ATOM 58605 O3* G B2729 25.389 -30.536 70.131 1.00 0.00 O ATOM 58606 C2* G B2729 25.888 -31.361 67.898 1.00 0.00 C ATOM 58607 O2* G B2729 27.222 -31.522 68.345 1.00 0.00 O ATOM 58608 C1* G B2729 25.487 -32.664 67.216 1.00 0.00 C ATOM 58609 N9 G B2729 24.494 -32.485 66.119 1.00 0.00 N ATOM 58610 C8 G B2729 23.150 -32.788 66.107 1.00 0.00 C ATOM 58611 N7 G B2729 22.550 -32.504 64.975 1.00 0.00 N ATOM 58612 C5 G B2729 23.570 -31.978 64.183 1.00 0.00 C ATOM 58613 C6 G B2729 23.533 -31.494 62.852 1.00 0.00 C ATOM 58614 O6 G B2729 22.578 -31.426 62.082 1.00 0.00 O ATOM 58615 N1 G B2729 24.796 -31.051 62.434 1.00 0.00 N ATOM 58616 C2 G B2729 25.941 -31.072 63.201 1.00 0.00 C ATOM 58617 N2 G B2729 27.050 -30.603 62.618 1.00 0.00 N ATOM 58618 N3 G B2729 25.976 -31.528 64.451 1.00 0.00 N ATOM 58619 C4 G B2729 24.758 -31.962 64.873 1.00 0.00 C ATOM 58620 P C B2730 24.820 -29.015 70.287 1.00 0.00 P ATOM 58621 O1P C B2730 25.136 -28.486 71.634 1.00 0.00 O ATOM 58622 O2P C B2730 23.392 -28.980 69.903 1.00 0.00 O ATOM 58623 O5* C B2730 25.695 -28.251 69.185 1.00 0.00 O ATOM 58624 C5* C B2730 27.126 -28.240 69.319 1.00 0.00 C ATOM 58625 C4* C B2730 27.756 -27.576 68.108 1.00 0.00 C ATOM 58626 O4* C B2730 27.539 -28.420 66.942 1.00 0.00 O ATOM 58627 C3* C B2730 27.156 -26.228 67.703 1.00 0.00 C ATOM 58628 O3* C B2730 27.710 -25.179 68.436 1.00 0.00 O ATOM 58629 C2* C B2730 27.506 -26.157 66.218 1.00 0.00 C ATOM 58630 O2* C B2730 28.873 -25.829 66.036 1.00 0.00 O ATOM 58631 C1* C B2730 27.336 -27.613 65.793 1.00 0.00 C ATOM 58632 N1 C B2730 25.987 -27.924 65.243 1.00 0.00 N ATOM 58633 C2 C B2730 25.686 -27.466 63.963 1.00 0.00 C ATOM 58634 O2 C B2730 26.543 -26.826 63.342 1.00 0.00 O ATOM 58635 N3 C B2730 24.462 -27.739 63.445 1.00 0.00 N ATOM 58636 C4 C B2730 23.562 -28.436 64.151 1.00 0.00 C ATOM 58637 N4 C B2730 22.381 -28.678 63.599 1.00 0.00 N ATOM 58638 C5 C B2730 23.853 -28.916 65.468 1.00 0.00 C ATOM 58639 C6 C B2730 25.080 -28.632 65.969 1.00 0.00 C ATOM 58640 P G B2731 26.768 -23.901 68.809 1.00 0.00 P ATOM 58641 O1P G B2731 27.401 -23.094 69.875 1.00 0.00 O ATOM 58642 O2P G B2731 25.391 -24.368 69.091 1.00 0.00 O ATOM 58643 O5* G B2731 26.795 -23.094 67.430 1.00 0.00 O ATOM 58644 C5* G B2731 28.056 -22.624 66.919 1.00 0.00 C ATOM 58645 C4* G B2731 27.862 -22.000 65.552 1.00 0.00 C ATOM 58646 O4* G B2731 27.495 -23.047 64.608 1.00 0.00 O ATOM 58647 C3* G B2731 26.727 -20.985 65.437 1.00 0.00 C ATOM 58648 O3* G B2731 27.134 -19.714 65.841 1.00 0.00 O ATOM 58649 C2* G B2731 26.390 -21.048 63.948 1.00 0.00 C ATOM 58650 O2* G B2731 27.359 -20.351 63.182 1.00 0.00 O ATOM 58651 C1* G B2731 26.579 -22.531 63.656 1.00 0.00 C ATOM 58652 N9 G B2731 25.319 -23.325 63.757 1.00 0.00 N ATOM 58653 C8 G B2731 24.921 -24.205 64.739 1.00 0.00 C ATOM 58654 N7 G B2731 23.745 -24.744 64.528 1.00 0.00 N ATOM 58655 C5 G B2731 23.336 -24.183 63.316 1.00 0.00 C ATOM 58656 C6 G B2731 22.146 -24.382 62.574 1.00 0.00 C ATOM 58657 O6 G B2731 21.185 -25.107 62.835 1.00 0.00 O ATOM 58658 N1 G B2731 22.138 -23.614 61.402 1.00 0.00 N ATOM 58659 C2 G B2731 23.148 -22.763 61.000 1.00 0.00 C ATOM 58660 N2 G B2731 22.950 -22.118 59.848 1.00 0.00 N ATOM 58661 N3 G B2731 24.269 -22.577 61.698 1.00 0.00 N ATOM 58662 C4 G B2731 24.291 -23.317 62.839 1.00 0.00 C ATOM 58663 P G B2732 25.966 -18.374 65.338 1.00 0.00 P ATOM 58664 O1P G B2732 25.456 -17.523 66.433 1.00 0.00 O ATOM 58665 O2P G B2732 24.946 -18.912 64.410 1.00 0.00 O ATOM 58666 O5* G B2732 27.371 -17.529 64.560 1.00 0.00 O ATOM 58667 C5* G B2732 28.066 -16.299 64.852 1.00 0.00 C ATOM 58668 C4* G B2732 28.092 -15.321 63.552 1.00 0.00 C ATOM 58669 O4* G B2732 27.488 -15.943 62.383 1.00 0.00 O ATOM 58670 C3* G B2732 27.601 -13.874 63.500 1.00 0.00 C ATOM 58671 O3* G B2732 28.293 -12.731 64.344 1.00 0.00 O ATOM 58672 C2* G B2732 27.580 -13.599 61.995 1.00 0.00 C ATOM 58673 O2* G B2732 28.890 -13.383 61.506 1.00 0.00 O ATOM 58674 C1* G B2732 27.120 -14.946 61.443 1.00 0.00 C ATOM 58675 N9 G B2732 25.411 -15.067 61.160 1.00 0.00 N ATOM 58676 C8 G B2732 24.507 -14.071 60.866 1.00 0.00 C ATOM 58677 N7 G B2732 23.294 -14.507 60.620 1.00 0.00 N ATOM 58678 C5 G B2732 23.406 -15.891 60.764 1.00 0.00 C ATOM 58679 C6 G B2732 22.423 -16.906 60.620 1.00 0.00 C ATOM 58680 O6 G B2732 21.236 -16.793 60.335 1.00 0.00 O ATOM 58681 N1 G B2732 22.969 -18.179 60.854 1.00 0.00 N ATOM 58682 C2 G B2732 24.280 -18.434 61.181 1.00 0.00 C ATOM 58683 N2 G B2732 24.602 -19.714 61.365 1.00 0.00 N ATOM 58684 N3 G B2732 25.204 -17.481 61.313 1.00 0.00 N ATOM 58685 C4 G B2732 24.695 -16.240 61.092 1.00 0.00 C ATOM 58686 P A B2733 29.270 -13.056 65.895 1.00 0.00 P ATOM 58687 O1P A B2733 30.281 -14.096 65.594 1.00 0.00 O ATOM 58688 O2P A B2733 28.380 -13.327 67.041 1.00 0.00 O ATOM 58689 O5* A B2733 30.101 -11.413 66.198 1.00 0.00 O ATOM 58690 C5* A B2733 30.556 -10.393 67.191 1.00 0.00 C ATOM 58691 C4* A B2733 32.167 -10.143 67.441 1.00 0.00 C ATOM 58692 O4* A B2733 33.126 -10.557 66.420 1.00 0.00 O ATOM 58693 C3* A B2733 33.025 -9.382 68.455 1.00 0.00 C ATOM 58694 O3* A B2733 32.725 -8.514 69.707 1.00 0.00 O ATOM 58695 C2* A B2733 34.329 -10.173 68.431 1.00 0.00 C ATOM 58696 O2* A B2733 34.197 -11.386 69.149 1.00 0.00 O ATOM 58697 C1* A B2733 34.434 -10.544 66.957 1.00 0.00 C ATOM 58698 N9 A B2733 35.377 -9.494 66.033 1.00 0.00 N ATOM 58699 C8 A B2733 36.670 -9.079 66.263 1.00 0.00 C ATOM 58700 N7 A B2733 37.194 -8.413 65.276 1.00 0.00 N ATOM 58701 C5 A B2733 36.187 -8.380 64.323 1.00 0.00 C ATOM 58702 C6 A B2733 36.117 -7.822 63.039 1.00 0.00 C ATOM 58703 N6 A B2733 37.129 -7.149 62.469 1.00 0.00 N ATOM 58704 N1 A B2733 34.968 -7.971 62.356 1.00 0.00 N ATOM 58705 C2 A B2733 33.970 -8.638 62.921 1.00 0.00 C ATOM 58706 N3 A B2733 33.915 -9.206 64.112 1.00 0.00 N ATOM 58707 C4 A B2733 35.080 -9.036 64.775 1.00 0.00 C ATOM 58708 P A B2734 34.146 -7.457 70.314 1.00 0.00 P ATOM 58709 O1P A B2734 33.967 -6.066 69.836 1.00 0.00 O ATOM 58710 O2P A B2734 35.429 -8.099 69.964 1.00 0.00 O ATOM 58711 O5* A B2734 33.916 -7.478 72.159 1.00 0.00 O ATOM 58712 C5* A B2734 34.693 -7.918 73.322 1.00 0.00 C ATOM 58713 C4* A B2734 34.468 -7.751 75.018 1.00 0.00 C ATOM 58714 O4* A B2734 35.719 -8.373 75.408 1.00 0.00 O ATOM 58715 C3* A B2734 34.486 -6.398 75.733 1.00 0.00 C ATOM 58716 O3* A B2734 32.969 -5.978 76.126 1.00 0.00 O ATOM 58717 C2* A B2734 35.166 -6.752 77.055 1.00 0.00 C ATOM 58718 O2* A B2734 34.272 -7.426 77.918 1.00 0.00 O ATOM 58719 C1* A B2734 36.204 -7.774 76.599 1.00 0.00 C ATOM 58720 N9 A B2734 37.742 -7.129 76.283 1.00 0.00 N ATOM 58721 C8 A B2734 38.919 -7.802 76.067 1.00 0.00 C ATOM 58722 N7 A B2734 39.895 -7.047 75.656 1.00 0.00 N ATOM 58723 C5 A B2734 39.328 -5.778 75.596 1.00 0.00 C ATOM 58724 C6 A B2734 39.851 -4.532 75.223 1.00 0.00 C ATOM 58725 N6 A B2734 41.116 -4.346 74.828 1.00 0.00 N ATOM 58726 N1 A B2734 39.020 -3.476 75.274 1.00 0.00 N ATOM 58727 C2 A B2734 37.759 -3.666 75.668 1.00 0.00 C ATOM 58728 N3 A B2734 37.162 -4.779 76.032 1.00 0.00 N ATOM 58729 C4 A B2734 38.020 -5.826 75.972 1.00 0.00 C ATOM 58730 P G B2735 32.225 -4.327 76.448 1.00 0.00 P ATOM 58731 O1P G B2735 32.888 -3.495 77.476 1.00 0.00 O ATOM 58732 O2P G B2735 30.745 -4.347 76.493 1.00 0.00 O ATOM 58733 O5* G B2735 32.715 -3.883 74.991 1.00 0.00 O ATOM 58734 C5* G B2735 34.021 -4.285 74.543 1.00 0.00 C ATOM 58735 C4* G B2735 34.226 -3.863 73.100 1.00 0.00 C ATOM 58736 O4* G B2735 33.332 -4.641 72.252 1.00 0.00 O ATOM 58737 C3* G B2735 33.876 -2.410 72.773 1.00 0.00 C ATOM 58738 O3* G B2735 34.935 -1.552 73.065 1.00 0.00 O ATOM 58739 C2* G B2735 33.572 -2.486 71.278 1.00 0.00 C ATOM 58740 O2* G B2735 34.769 -2.575 70.525 1.00 0.00 O ATOM 58741 C1* G B2735 32.877 -3.839 71.173 1.00 0.00 C ATOM 58742 N9 G B2735 31.392 -3.759 71.253 1.00 0.00 N ATOM 58743 C8 G B2735 30.559 -4.107 72.293 1.00 0.00 C ATOM 58744 N7 G B2735 29.284 -3.912 72.042 1.00 0.00 N ATOM 58745 C5 G B2735 29.278 -3.396 70.747 1.00 0.00 C ATOM 58746 C6 G B2735 28.189 -2.991 69.930 1.00 0.00 C ATOM 58747 O6 G B2735 26.988 -3.001 70.189 1.00 0.00 O ATOM 58748 N1 G B2735 28.630 -2.529 68.684 1.00 0.00 N ATOM 58749 C2 G B2735 29.948 -2.468 68.277 1.00 0.00 C ATOM 58750 N2 G B2735 30.162 -1.994 67.046 1.00 0.00 N ATOM 58751 N3 G B2735 30.968 -2.848 69.041 1.00 0.00 N ATOM 58752 C4 G B2735 30.559 -3.302 70.258 1.00 0.00 C ATOM 58753 P A B2736 34.597 -0.045 73.593 1.00 0.00 P ATOM 58754 O1P A B2736 35.803 0.570 74.187 1.00 0.00 O ATOM 58755 O2P A B2736 33.398 -0.083 74.461 1.00 0.00 O ATOM 58756 O5* A B2736 34.243 0.683 72.211 1.00 0.00 O ATOM 58757 C5* A B2736 35.246 0.753 71.180 1.00 0.00 C ATOM 58758 C4* A B2736 34.660 1.367 69.926 1.00 0.00 C ATOM 58759 O4* A B2736 33.677 0.449 69.368 1.00 0.00 O ATOM 58760 C3* A B2736 33.881 2.667 70.123 1.00 0.00 C ATOM 58761 O3* A B2736 34.726 3.772 70.145 1.00 0.00 O ATOM 58762 C2* A B2736 32.944 2.666 68.918 1.00 0.00 C ATOM 58763 O2* A B2736 33.642 3.028 67.740 1.00 0.00 O ATOM 58764 C1* A B2736 32.604 1.182 68.792 1.00 0.00 C ATOM 58765 N9 A B2736 31.353 0.793 69.499 1.00 0.00 N ATOM 58766 C8 A B2736 31.201 0.096 70.674 1.00 0.00 C ATOM 58767 N7 A B2736 29.962 -0.082 71.028 1.00 0.00 N ATOM 58768 C5 A B2736 29.236 0.536 70.019 1.00 0.00 C ATOM 58769 C6 A B2736 27.857 0.696 69.807 1.00 0.00 C ATOM 58770 N6 A B2736 26.922 0.221 70.640 1.00 0.00 N ATOM 58771 N1 A B2736 27.473 1.364 68.701 1.00 0.00 N ATOM 58772 C2 A B2736 28.408 1.831 67.878 1.00 0.00 C ATOM 58773 N3 A B2736 29.719 1.743 67.971 1.00 0.00 N ATOM 58774 C4 A B2736 30.077 1.071 69.086 1.00 0.00 C ATOM 58775 P G B2737 34.341 5.039 71.101 1.00 0.00 P ATOM 58776 O1P G B2737 35.510 5.929 71.270 1.00 0.00 O ATOM 58777 O2P G B2737 33.723 4.541 72.351 1.00 0.00 O ATOM 58778 O5* G B2737 33.234 5.766 70.203 1.00 0.00 O ATOM 58779 C5* G B2737 33.602 6.250 68.898 1.00 0.00 C ATOM 58780 C4* G B2737 32.379 6.786 68.179 1.00 0.00 C ATOM 58781 O4* G B2737 31.484 5.675 67.880 1.00 0.00 O ATOM 58782 C3* G B2737 31.509 7.754 68.980 1.00 0.00 C ATOM 58783 O3* G B2737 31.994 9.058 68.908 1.00 0.00 O ATOM 58784 C2* G B2737 30.148 7.593 68.305 1.00 0.00 C ATOM 58785 O2* G B2737 30.118 8.278 67.064 1.00 0.00 O ATOM 58786 C1* G B2737 30.135 6.101 67.989 1.00 0.00 C ATOM 58787 N9 G B2737 29.474 5.273 69.035 1.00 0.00 N ATOM 58788 C8 G B2737 30.044 4.439 69.974 1.00 0.00 C ATOM 58789 N7 G B2737 29.177 3.847 70.759 1.00 0.00 N ATOM 58790 C5 G B2737 27.944 4.322 70.308 1.00 0.00 C ATOM 58791 C6 G B2737 26.635 4.041 70.769 1.00 0.00 C ATOM 58792 O6 G B2737 26.279 3.300 71.684 1.00 0.00 O ATOM 58793 N1 G B2737 25.669 4.741 70.029 1.00 0.00 N ATOM 58794 C2 G B2737 25.939 5.601 68.982 1.00 0.00 C ATOM 58795 N2 G B2737 24.880 6.171 68.405 1.00 0.00 N ATOM 58796 N3 G B2737 27.170 5.865 68.551 1.00 0.00 N ATOM 58797 C4 G B2737 28.116 5.193 69.259 1.00 0.00 C ATOM 58798 P A B2738 32.212 9.738 70.630 1.00 0.00 P ATOM 58799 O1P A B2738 30.846 10.003 71.136 1.00 0.00 O ATOM 58800 O2P A B2738 33.132 10.897 70.627 1.00 0.00 O ATOM 58801 O5* A B2738 32.897 8.353 71.658 1.00 0.00 O ATOM 58802 C5* A B2738 33.283 8.023 73.055 1.00 0.00 C ATOM 58803 C4* A B2738 32.204 8.368 74.262 1.00 0.00 C ATOM 58804 O4* A B2738 30.842 8.369 73.742 1.00 0.00 O ATOM 58805 C3* A B2738 32.068 7.753 75.656 1.00 0.00 C ATOM 58806 O3* A B2738 33.024 7.767 76.882 1.00 0.00 O ATOM 58807 C2* A B2738 30.719 8.303 76.117 1.00 0.00 C ATOM 58808 O2* A B2738 30.831 9.657 76.509 1.00 0.00 O ATOM 58809 C1* A B2738 29.920 8.279 74.818 1.00 0.00 C ATOM 58810 N9 A B2738 28.967 6.882 74.593 1.00 0.00 N ATOM 58811 C8 A B2738 27.610 6.799 74.342 1.00 0.00 C ATOM 58812 N7 A B2738 27.141 5.593 74.393 1.00 0.00 N ATOM 58813 C5 A B2738 28.248 4.813 74.700 1.00 0.00 C ATOM 58814 C6 A B2738 28.406 3.430 74.895 1.00 0.00 C ATOM 58815 N6 A B2738 27.402 2.552 74.807 1.00 0.00 N ATOM 58816 N1 A B2738 29.644 2.988 75.188 1.00 0.00 N ATOM 58817 C2 A B2738 30.639 3.868 75.274 1.00 0.00 C ATOM 58818 N3 A B2738 30.609 5.170 75.113 1.00 0.00 N ATOM 58819 C4 A B2738 29.360 5.590 74.826 1.00 0.00 C ATOM 58820 P U B2739 34.695 8.515 76.878 1.00 0.00 P ATOM 58821 O1P U B2739 34.703 9.987 76.708 1.00 0.00 O ATOM 58822 O2P U B2739 35.520 7.753 75.914 1.00 0.00 O ATOM 58823 O5* U B2739 35.131 8.133 78.622 1.00 0.00 O ATOM 58824 C5* U B2739 36.057 8.472 79.704 1.00 0.00 C ATOM 58825 C4* U B2739 35.354 9.202 81.025 1.00 0.00 C ATOM 58826 O4* U B2739 34.568 8.425 81.973 1.00 0.00 O ATOM 58827 C3* U B2739 34.683 10.574 81.024 1.00 0.00 C ATOM 58828 O3* U B2739 35.341 11.957 81.079 1.00 0.00 O ATOM 58829 C2* U B2739 33.206 10.207 81.183 1.00 0.00 C ATOM 58830 O2* U B2739 32.674 9.724 79.961 1.00 0.00 O ATOM 58831 C1* U B2739 33.288 9.015 82.135 1.00 0.00 C ATOM 58832 N1 U B2739 33.082 9.401 83.769 1.00 0.00 N ATOM 58833 C2 U B2739 32.060 10.266 84.083 1.00 0.00 C ATOM 58834 O2 U B2739 31.356 10.791 83.239 1.00 0.00 O ATOM 58835 N3 U B2739 31.871 10.499 85.433 1.00 0.00 N ATOM 58836 C4 U B2739 32.605 9.961 86.470 1.00 0.00 C ATOM 58837 O4 U B2739 32.344 10.244 87.641 1.00 0.00 O ATOM 58838 C5 U B2739 33.660 9.066 86.040 1.00 0.00 C ATOM 58839 C6 U B2739 33.863 8.820 84.733 1.00 0.00 C ATOM 58840 P A B2740 35.128 13.016 82.570 1.00 0.00 P ATOM 58841 O1P A B2740 36.323 13.867 82.774 1.00 0.00 O ATOM 58842 O2P A B2740 34.675 12.244 83.747 1.00 0.00 O ATOM 58843 O5* A B2740 33.762 13.988 81.839 1.00 0.00 O ATOM 58844 C5* A B2740 32.699 14.964 81.733 1.00 0.00 C ATOM 58845 C4* A B2740 32.884 16.045 80.518 1.00 0.00 C ATOM 58846 O4* A B2740 34.272 16.388 80.221 1.00 0.00 O ATOM 58847 C3* A B2740 32.256 15.851 79.139 1.00 0.00 C ATOM 58848 O3* A B2740 31.867 14.502 78.402 1.00 0.00 O ATOM 58849 C2* A B2740 32.969 16.916 78.310 1.00 0.00 C ATOM 58850 O2* A B2740 32.447 18.202 78.590 1.00 0.00 O ATOM 58851 C1* A B2740 34.373 16.869 78.895 1.00 0.00 C ATOM 58852 N9 A B2740 35.439 15.893 78.063 1.00 0.00 N ATOM 58853 C8 A B2740 35.577 15.748 76.699 1.00 0.00 C ATOM 58854 N7 A B2740 36.337 14.755 76.349 1.00 0.00 N ATOM 58855 C5 A B2740 36.732 14.197 77.554 1.00 0.00 C ATOM 58856 C6 A B2740 37.559 13.103 77.865 1.00 0.00 C ATOM 58857 N6 A B2740 38.154 12.340 76.938 1.00 0.00 N ATOM 58858 N1 A B2740 37.743 12.817 79.169 1.00 0.00 N ATOM 58859 C2 A B2740 37.146 13.578 80.085 1.00 0.00 C ATOM 58860 N3 A B2740 36.359 14.620 79.916 1.00 0.00 N ATOM 58861 C4 A B2740 36.192 14.881 78.602 1.00 0.00 C ATOM 58862 P A B2741 32.888 12.949 78.412 1.00 0.00 P ATOM 58863 O1P A B2741 32.019 11.795 78.727 1.00 0.00 O ATOM 58864 O2P A B2741 34.079 13.117 79.283 1.00 0.00 O ATOM 58865 O5* A B2741 33.408 12.812 76.644 1.00 0.00 O ATOM 58866 C5* A B2741 33.810 11.870 75.570 1.00 0.00 C ATOM 58867 C4* A B2741 32.925 12.105 74.169 1.00 0.00 C ATOM 58868 O4* A B2741 31.568 11.585 74.266 1.00 0.00 O ATOM 58869 C3* A B2741 32.731 13.621 74.081 1.00 0.00 C ATOM 58870 O3* A B2741 33.637 14.876 73.983 1.00 0.00 O ATOM 58871 C2* A B2741 31.452 13.730 73.255 1.00 0.00 C ATOM 58872 O2* A B2741 31.710 13.481 71.883 1.00 0.00 O ATOM 58873 C1* A B2741 30.647 12.541 73.775 1.00 0.00 C ATOM 58874 N9 A B2741 29.694 11.815 72.651 1.00 0.00 N ATOM 58875 C8 A B2741 29.508 12.170 71.334 1.00 0.00 C ATOM 58876 N7 A B2741 28.530 11.544 70.751 1.00 0.00 N ATOM 58877 C5 A B2741 28.028 10.712 71.742 1.00 0.00 C ATOM 58878 C6 A B2741 26.979 9.781 71.756 1.00 0.00 C ATOM 58879 N6 A B2741 26.206 9.525 70.693 1.00 0.00 N ATOM 58880 N1 A B2741 26.748 9.124 72.908 1.00 0.00 N ATOM 58881 C2 A B2741 27.517 9.385 73.962 1.00 0.00 C ATOM 58882 N3 A B2741 28.524 10.223 74.066 1.00 0.00 N ATOM 58883 C4 A B2741 28.734 10.871 72.901 1.00 0.00 C ATOM 58884 P G B2742 32.933 16.477 74.638 1.00 0.00 P ATOM 58885 O1P G B2742 33.247 17.735 73.924 1.00 0.00 O ATOM 58886 O2P G B2742 33.314 16.439 76.067 1.00 0.00 O ATOM 58887 O5* G B2742 31.376 16.141 74.482 1.00 0.00 O ATOM 58888 C5* G B2742 30.818 16.018 73.161 1.00 0.00 C ATOM 58889 C4* G B2742 29.372 15.578 73.250 1.00 0.00 C ATOM 58890 O4* G B2742 29.324 14.212 73.756 1.00 0.00 O ATOM 58891 C3* G B2742 28.494 16.363 74.225 1.00 0.00 C ATOM 58892 O3* G B2742 27.994 17.524 73.644 1.00 0.00 O ATOM 58893 C2* G B2742 27.398 15.348 74.555 1.00 0.00 C ATOM 58894 O2* G B2742 26.470 15.251 73.487 1.00 0.00 O ATOM 58895 C1* G B2742 28.184 14.042 74.580 1.00 0.00 C ATOM 58896 N9 G B2742 28.652 13.655 75.940 1.00 0.00 N ATOM 58897 C8 G B2742 29.924 13.710 76.470 1.00 0.00 C ATOM 58898 N7 G B2742 30.002 13.290 77.711 1.00 0.00 N ATOM 58899 C5 G B2742 28.692 12.929 78.024 1.00 0.00 C ATOM 58900 C6 G B2742 28.150 12.407 79.224 1.00 0.00 C ATOM 58901 O6 G B2742 28.723 12.143 80.279 1.00 0.00 O ATOM 58902 N1 G B2742 26.768 12.184 79.109 1.00 0.00 N ATOM 58903 C2 G B2742 26.013 12.436 77.980 1.00 0.00 C ATOM 58904 N2 G B2742 24.710 12.159 78.074 1.00 0.00 N ATOM 58905 N3 G B2742 26.523 12.930 76.856 1.00 0.00 N ATOM 58906 C4 G B2742 27.862 13.149 76.949 1.00 0.00 C ATOM 58907 P U B2743 27.785 18.842 74.584 1.00 0.00 P ATOM 58908 O1P U B2743 27.609 20.048 73.743 1.00 0.00 O ATOM 58909 O2P U B2743 28.870 18.911 75.587 1.00 0.00 O ATOM 58910 O5* U B2743 26.402 18.481 75.304 1.00 0.00 O ATOM 58911 C5* U B2743 25.226 18.278 74.501 1.00 0.00 C ATOM 58912 C4* U B2743 24.074 17.823 75.371 1.00 0.00 C ATOM 58913 O4* U B2743 24.360 16.488 75.875 1.00 0.00 O ATOM 58914 C3* U B2743 23.827 18.651 76.633 1.00 0.00 C ATOM 58915 O3* U B2743 23.047 19.774 76.364 1.00 0.00 O ATOM 58916 C2* U B2743 23.120 17.647 77.540 1.00 0.00 C ATOM 58917 O2* U B2743 21.769 17.477 77.147 1.00 0.00 O ATOM 58918 C1* U B2743 23.850 16.354 77.192 1.00 0.00 C ATOM 58919 N1 U B2743 24.990 16.047 78.101 1.00 0.00 N ATOM 58920 C2 U B2743 24.684 15.600 79.362 1.00 0.00 C ATOM 58921 O2 U B2743 23.538 15.450 79.753 1.00 0.00 O ATOM 58922 N3 U B2743 25.766 15.327 80.175 1.00 0.00 N ATOM 58923 C4 U B2743 27.100 15.460 79.835 1.00 0.00 C ATOM 58924 O4 U B2743 27.984 15.182 80.650 1.00 0.00 O ATOM 58925 C5 U B2743 27.320 15.936 78.491 1.00 0.00 C ATOM 58926 C6 U B2743 26.284 16.210 77.679 1.00 0.00 C ATOM 58927 P G B2744 23.321 21.142 77.216 1.00 0.00 P ATOM 58928 O1P G B2744 22.675 22.295 76.552 1.00 0.00 O ATOM 58929 O2P G B2744 24.773 21.278 77.472 1.00 0.00 O ATOM 58930 O5* G B2744 22.558 20.804 78.580 1.00 0.00 O ATOM 58931 C5* G B2744 21.144 20.542 78.545 1.00 0.00 C ATOM 58932 C4* G B2744 20.659 20.125 79.918 1.00 0.00 C ATOM 58933 O4* G B2744 21.225 18.822 80.243 1.00 0.00 O ATOM 58934 C3* G B2744 21.096 21.018 81.079 1.00 0.00 C ATOM 58935 O3* G B2744 20.251 22.115 81.228 1.00 0.00 O ATOM 58936 C2* G B2744 21.028 20.057 82.264 1.00 0.00 C ATOM 58937 O2* G B2744 19.684 19.851 82.668 1.00 0.00 O ATOM 58938 C1* G B2744 21.508 18.755 81.631 1.00 0.00 C ATOM 58939 N9 G B2744 22.969 18.512 81.791 1.00 0.00 N ATOM 58940 C8 G B2744 23.977 18.614 80.859 1.00 0.00 C ATOM 58941 N7 G B2744 25.168 18.332 81.327 1.00 0.00 N ATOM 58942 C5 G B2744 24.934 18.020 82.664 1.00 0.00 C ATOM 58943 C6 G B2744 25.840 17.633 83.685 1.00 0.00 C ATOM 58944 O6 G B2744 27.056 17.483 83.618 1.00 0.00 O ATOM 58945 N1 G B2744 25.177 17.413 84.901 1.00 0.00 N ATOM 58946 C2 G B2744 23.817 17.547 85.104 1.00 0.00 C ATOM 58947 N2 G B2744 23.381 17.290 86.337 1.00 0.00 N ATOM 58948 N3 G B2744 22.968 17.911 84.144 1.00 0.00 N ATOM 58949 C4 G B2744 23.594 18.127 82.958 1.00 0.00 C ATOM 58950 P C B2745 20.886 23.530 81.741 1.00 0.00 P ATOM 58951 O1P C B2745 19.935 24.637 81.484 1.00 0.00 O ATOM 58952 O2P C B2745 22.240 23.699 81.170 1.00 0.00 O ATOM 58953 O5* C B2745 20.990 23.260 83.315 1.00 0.00 O ATOM 58954 C5* C B2745 19.788 22.978 84.056 1.00 0.00 C ATOM 58955 C4* C B2745 20.132 22.634 85.492 1.00 0.00 C ATOM 58956 O4* C B2745 20.836 21.360 85.512 1.00 0.00 O ATOM 58957 C3* C B2745 21.090 23.595 86.196 1.00 0.00 C ATOM 58958 O3* C B2745 20.412 24.690 86.730 1.00 0.00 O ATOM 58959 C2* C B2745 21.707 22.703 87.269 1.00 0.00 C ATOM 58960 O2* C B2745 20.801 22.501 88.340 1.00 0.00 O ATOM 58961 C1* C B2745 21.826 21.372 86.531 1.00 0.00 C ATOM 58962 N1 C B2745 23.150 21.156 85.890 1.00 0.00 N ATOM 58963 C2 C B2745 24.229 20.846 86.716 1.00 0.00 C ATOM 58964 O2 C B2745 24.041 20.765 87.932 1.00 0.00 O ATOM 58965 N3 C B2745 25.447 20.649 86.151 1.00 0.00 N ATOM 58966 C4 C B2745 25.609 20.747 84.823 1.00 0.00 C ATOM 58967 N4 C B2745 26.818 20.543 84.324 1.00 0.00 N ATOM 58968 C5 C B2745 24.511 21.063 83.957 1.00 0.00 C ATOM 58969 C6 C B2745 23.305 21.257 84.541 1.00 0.00 C ATOM 58970 P U B2746 21.165 26.138 86.764 1.00 0.00 P ATOM 58971 O1P U B2746 20.185 27.219 87.013 1.00 0.00 O ATOM 58972 O2P U B2746 21.995 26.291 85.546 1.00 0.00 O ATOM 58973 O5* U B2746 22.109 25.957 88.042 1.00 0.00 O ATOM 58974 C5* U B2746 21.507 25.705 89.325 1.00 0.00 C ATOM 58975 C4* U B2746 22.583 25.445 90.360 1.00 0.00 C ATOM 58976 O4* U B2746 23.239 24.181 90.051 1.00 0.00 O ATOM 58977 C3* U B2746 23.731 26.454 90.400 1.00 0.00 C ATOM 58978 O3* U B2746 23.404 27.568 91.172 1.00 0.00 O ATOM 58979 C2* U B2746 24.863 25.630 91.007 1.00 0.00 C ATOM 58980 O2* U B2746 24.681 25.478 92.405 1.00 0.00 O ATOM 58981 C1* U B2746 24.616 24.260 90.378 1.00 0.00 C ATOM 58982 N1 U B2746 25.398 24.028 89.131 1.00 0.00 N ATOM 58983 C2 U B2746 26.744 23.780 89.271 1.00 0.00 C ATOM 58984 O2 U B2746 27.302 23.751 90.357 1.00 0.00 O ATOM 58985 N3 U B2746 27.435 23.568 88.098 1.00 0.00 N ATOM 58986 C4 U B2746 26.908 23.578 86.823 1.00 0.00 C ATOM 58987 O4 U B2746 27.629 23.374 85.842 1.00 0.00 O ATOM 58988 C5 U B2746 25.490 23.847 86.776 1.00 0.00 C ATOM 58989 C6 U B2746 24.793 24.057 87.903 1.00 0.00 C ATOM 58990 P G B2747 24.740 28.823 91.437 1.00 0.00 P ATOM 58991 O1P G B2747 26.052 28.169 91.637 1.00 0.00 O ATOM 58992 O2P G B2747 24.333 29.789 92.489 1.00 0.00 O ATOM 58993 O5* G B2747 24.654 29.597 89.773 1.00 0.00 O ATOM 58994 C5* G B2747 25.032 30.908 89.252 1.00 0.00 C ATOM 58995 C4* G B2747 25.785 30.965 87.795 1.00 0.00 C ATOM 58996 O4* G B2747 25.783 29.725 87.035 1.00 0.00 O ATOM 58997 C3* G B2747 25.477 32.036 86.748 1.00 0.00 C ATOM 58998 O3* G B2747 25.921 33.481 87.002 1.00 0.00 O ATOM 58999 C2* G B2747 26.207 31.502 85.517 1.00 0.00 C ATOM 59000 O2* G B2747 27.600 31.722 85.624 1.00 0.00 O ATOM 59001 C1* G B2747 25.984 29.996 85.657 1.00 0.00 C ATOM 59002 N9 G B2747 24.638 29.389 84.786 1.00 0.00 N ATOM 59003 C8 G B2747 23.396 29.015 85.251 1.00 0.00 C ATOM 59004 N7 G B2747 22.614 28.508 84.331 1.00 0.00 N ATOM 59005 C5 G B2747 23.388 28.552 83.170 1.00 0.00 C ATOM 59006 C6 G B2747 23.082 28.147 81.848 1.00 0.00 C ATOM 59007 O6 G B2747 22.044 27.649 81.421 1.00 0.00 O ATOM 59008 N1 G B2747 24.155 28.369 80.982 1.00 0.00 N ATOM 59009 C2 G B2747 25.370 28.921 81.341 1.00 0.00 C ATOM 59010 N2 G B2747 26.267 29.054 80.363 1.00 0.00 N ATOM 59011 N3 G B2747 25.658 29.304 82.584 1.00 0.00 N ATOM 59012 C4 G B2747 24.625 29.090 83.440 1.00 0.00 C ATOM 59013 P A B2748 25.087 34.801 86.052 1.00 0.00 P ATOM 59014 O1P A B2748 24.030 35.290 86.970 1.00 0.00 O ATOM 59015 O2P A B2748 24.671 34.590 84.652 1.00 0.00 O ATOM 59016 O5* A B2748 26.648 35.740 85.995 1.00 0.00 O ATOM 59017 C5* A B2748 27.699 36.319 85.184 1.00 0.00 C ATOM 59018 C4* A B2748 29.208 36.146 85.767 1.00 0.00 C ATOM 59019 O4* A B2748 29.643 34.820 86.187 1.00 0.00 O ATOM 59020 C3* A B2748 30.460 36.764 85.144 1.00 0.00 C ATOM 59021 O3* A B2748 30.583 37.973 84.224 1.00 0.00 O ATOM 59022 C2* A B2748 31.569 36.209 86.035 1.00 0.00 C ATOM 59023 O2* A B2748 31.603 36.888 87.277 1.00 0.00 O ATOM 59024 C1* A B2748 31.058 34.799 86.315 1.00 0.00 C ATOM 59025 N9 A B2748 31.665 33.614 85.283 1.00 0.00 N ATOM 59026 C8 A B2748 32.604 33.749 84.284 1.00 0.00 C ATOM 59027 N7 A B2748 32.746 32.691 83.546 1.00 0.00 N ATOM 59028 C5 A B2748 31.843 31.782 84.086 1.00 0.00 C ATOM 59029 C6 A B2748 31.513 30.462 83.750 1.00 0.00 C ATOM 59030 N6 A B2748 32.077 29.792 82.737 1.00 0.00 N ATOM 59031 N1 A B2748 30.569 29.850 84.492 1.00 0.00 N ATOM 59032 C2 A B2748 30.008 30.522 85.496 1.00 0.00 C ATOM 59033 N3 A B2748 30.238 31.751 85.907 1.00 0.00 N ATOM 59034 C4 A B2748 31.183 32.338 85.146 1.00 0.00 C ATOM 59035 P A B2749 31.580 37.655 82.708 1.00 0.00 P ATOM 59036 O1P A B2749 30.704 37.313 81.560 1.00 0.00 O ATOM 59037 O2P A B2749 32.688 36.711 82.973 1.00 0.00 O ATOM 59038 O5* A B2749 32.206 39.380 82.626 1.00 0.00 O ATOM 59039 C5* A B2749 33.199 40.459 82.457 1.00 0.00 C ATOM 59040 C4* A B2749 34.256 40.144 81.207 1.00 0.00 C ATOM 59041 O4* A B2749 33.836 38.828 80.737 1.00 0.00 O ATOM 59042 C3* A B2749 34.181 41.022 79.959 1.00 0.00 C ATOM 59043 O3* A B2749 34.984 42.371 79.942 1.00 0.00 O ATOM 59044 C2* A B2749 34.627 40.058 78.862 1.00 0.00 C ATOM 59045 O2* A B2749 36.031 39.880 78.890 1.00 0.00 O ATOM 59046 C1* A B2749 33.996 38.752 79.327 1.00 0.00 C ATOM 59047 N9 A B2749 32.479 38.408 78.633 1.00 0.00 N ATOM 59048 C8 A B2749 32.179 37.502 77.646 1.00 0.00 C ATOM 59049 N7 A B2749 30.906 37.341 77.444 1.00 0.00 N ATOM 59050 C5 A B2749 30.314 38.200 78.362 1.00 0.00 C ATOM 59051 C6 A B2749 28.972 38.494 78.657 1.00 0.00 C ATOM 59052 N6 A B2749 27.935 37.927 78.018 1.00 0.00 N ATOM 59053 N1 A B2749 28.734 39.396 79.624 1.00 0.00 N ATOM 59054 C2 A B2749 29.769 39.955 80.251 1.00 0.00 C ATOM 59055 N3 A B2749 31.057 39.759 80.067 1.00 0.00 N ATOM 59056 C4 A B2749 31.264 38.850 79.089 1.00 0.00 C ATOM 59057 P A B2750 36.726 42.637 79.357 1.00 0.00 P ATOM 59058 O1P A B2750 37.604 41.460 79.552 1.00 0.00 O ATOM 59059 O2P A B2750 37.206 43.904 79.948 1.00 0.00 O ATOM 59060 O5* A B2750 36.414 42.914 77.565 1.00 0.00 O ATOM 59061 C5* A B2750 36.643 44.297 77.174 1.00 0.00 C ATOM 59062 C4* A B2750 35.313 45.073 77.650 1.00 0.00 C ATOM 59063 O4* A B2750 35.215 46.517 77.798 1.00 0.00 O ATOM 59064 C3* A B2750 34.056 44.694 76.869 1.00 0.00 C ATOM 59065 O3* A B2750 33.767 43.016 76.819 1.00 0.00 O ATOM 59066 C2* A B2750 33.022 45.663 77.434 1.00 0.00 C ATOM 59067 O2* A B2750 32.595 45.252 78.720 1.00 0.00 O ATOM 59068 C1* A B2750 33.863 46.922 77.632 1.00 0.00 C ATOM 59069 N9 A B2750 33.790 48.049 76.327 1.00 0.00 N ATOM 59070 C8 A B2750 34.250 49.345 76.293 1.00 0.00 C ATOM 59071 N7 A B2750 33.903 49.997 75.222 1.00 0.00 N ATOM 59072 C5 A B2750 33.165 49.077 74.493 1.00 0.00 C ATOM 59073 C6 A B2750 32.515 49.151 73.252 1.00 0.00 C ATOM 59074 N6 A B2750 32.509 50.254 72.489 1.00 0.00 N ATOM 59075 N1 A B2750 31.872 48.049 72.820 1.00 0.00 N ATOM 59076 C2 A B2750 31.884 46.960 73.581 1.00 0.00 C ATOM 59077 N3 A B2750 32.454 46.772 74.751 1.00 0.00 N ATOM 59078 C4 A B2750 33.091 47.889 75.161 1.00 0.00 C ATOM 59079 P G B2751 33.180 41.481 75.681 1.00 0.00 P ATOM 59080 O1P G B2751 32.155 40.741 76.449 1.00 0.00 O ATOM 59081 O2P G B2751 34.476 40.783 75.501 1.00 0.00 O ATOM 59082 O5* G B2751 32.407 41.651 73.849 1.00 0.00 O ATOM 59083 C5* G B2751 32.329 42.440 72.341 1.00 0.00 C ATOM 59084 C4* G B2751 33.273 43.644 71.389 1.00 0.00 C ATOM 59085 O4* G B2751 33.524 45.006 71.831 1.00 0.00 O ATOM 59086 C3* G B2751 34.621 43.172 70.849 1.00 0.00 C ATOM 59087 O3* G B2751 35.349 42.030 71.590 1.00 0.00 O ATOM 59088 C2* G B2751 35.174 44.449 70.211 1.00 0.00 C ATOM 59089 O2* G B2751 34.534 44.704 68.968 1.00 0.00 O ATOM 59090 C1* G B2751 34.684 45.513 71.185 1.00 0.00 C ATOM 59091 N9 G B2751 35.859 45.973 72.429 1.00 0.00 N ATOM 59092 C8 G B2751 35.675 46.742 73.557 1.00 0.00 C ATOM 59093 N7 G B2751 36.756 46.877 74.290 1.00 0.00 N ATOM 59094 C5 G B2751 37.719 46.144 73.599 1.00 0.00 C ATOM 59095 C6 G B2751 39.085 45.920 73.901 1.00 0.00 C ATOM 59096 O6 G B2751 39.739 46.326 74.857 1.00 0.00 O ATOM 59097 N1 G B2751 39.700 45.118 72.930 1.00 0.00 N ATOM 59098 C2 G B2751 39.075 44.598 71.813 1.00 0.00 C ATOM 59099 N2 G B2751 39.834 43.854 71.005 1.00 0.00 N ATOM 59100 N3 G B2751 37.791 44.810 71.528 1.00 0.00 N ATOM 59101 C4 G B2751 37.180 45.589 72.460 1.00 0.00 C ATOM 59102 P C B2752 34.475 40.402 71.357 1.00 0.00 P ATOM 59103 O1P C B2752 34.840 40.091 69.955 1.00 0.00 O ATOM 59104 O2P C B2752 33.023 40.491 71.636 1.00 0.00 O ATOM 59105 O5* C B2752 35.027 38.997 72.456 1.00 0.00 O ATOM 59106 C5* C B2752 34.559 37.623 72.059 1.00 0.00 C ATOM 59107 C4* C B2752 33.016 37.003 72.366 1.00 0.00 C ATOM 59108 O4* C B2752 31.928 37.630 71.625 1.00 0.00 O ATOM 59109 C3* C B2752 32.507 35.590 72.645 1.00 0.00 C ATOM 59110 O3* C B2752 33.507 34.315 73.359 1.00 0.00 O ATOM 59111 C2* C B2752 31.019 35.825 72.878 1.00 0.00 C ATOM 59112 O2* C B2752 30.793 36.381 74.167 1.00 0.00 O ATOM 59113 C1* C B2752 30.719 36.931 71.869 1.00 0.00 C ATOM 59114 N1 C B2752 30.104 36.383 70.375 1.00 0.00 N ATOM 59115 C2 C B2752 29.231 35.300 70.391 1.00 0.00 C ATOM 59116 O2 C B2752 28.978 34.750 71.474 1.00 0.00 O ATOM 59117 N3 C B2752 28.686 34.880 69.218 1.00 0.00 N ATOM 59118 C4 C B2752 28.980 35.503 68.071 1.00 0.00 C ATOM 59119 N4 C B2752 28.422 35.057 66.955 1.00 0.00 N ATOM 59120 C5 C B2752 29.876 36.622 68.034 1.00 0.00 C ATOM 59121 C6 C B2752 30.409 37.024 69.213 1.00 0.00 C ATOM 59122 P A B2753 34.122 33.435 75.038 1.00 0.00 P ATOM 59123 O1P A B2753 33.597 32.053 75.067 1.00 0.00 O ATOM 59124 O2P A B2753 33.891 34.240 76.255 1.00 0.00 O ATOM 59125 O5* A B2753 36.003 33.263 75.019 1.00 0.00 O ATOM 59126 C5* A B2753 36.609 32.237 75.896 1.00 0.00 C ATOM 59127 C4* A B2753 36.011 30.729 75.584 1.00 0.00 C ATOM 59128 O4* A B2753 35.383 30.857 74.276 1.00 0.00 O ATOM 59129 C3* A B2753 36.851 29.455 75.470 1.00 0.00 C ATOM 59130 O3* A B2753 37.275 28.736 76.758 1.00 0.00 O ATOM 59131 C2* A B2753 35.975 28.574 74.584 1.00 0.00 C ATOM 59132 O2* A B2753 34.894 28.033 75.326 1.00 0.00 O ATOM 59133 C1* A B2753 35.381 29.599 73.619 1.00 0.00 C ATOM 59134 N9 A B2753 36.210 29.760 72.172 1.00 0.00 N ATOM 59135 C8 A B2753 37.286 30.569 71.890 1.00 0.00 C ATOM 59136 N7 A B2753 37.619 30.583 70.635 1.00 0.00 N ATOM 59137 C5 A B2753 36.706 29.728 70.033 1.00 0.00 C ATOM 59138 C6 A B2753 36.527 29.310 68.704 1.00 0.00 C ATOM 59139 N6 A B2753 37.297 29.731 67.689 1.00 0.00 N ATOM 59140 N1 A B2753 35.520 28.453 68.456 1.00 0.00 N ATOM 59141 C2 A B2753 34.756 28.044 69.466 1.00 0.00 C ATOM 59142 N3 A B2753 34.827 28.358 70.741 1.00 0.00 N ATOM 59143 C4 A B2753 35.842 29.222 70.966 1.00 0.00 C ATOM 59144 P U B2754 38.886 29.192 77.474 1.00 0.00 P ATOM 59145 O1P U B2754 40.047 28.479 76.899 1.00 0.00 O ATOM 59146 O2P U B2754 38.787 29.168 78.950 1.00 0.00 O ATOM 59147 O5* U B2754 38.733 30.873 76.826 1.00 0.00 O ATOM 59148 C5* U B2754 38.277 31.900 77.697 1.00 0.00 C ATOM 59149 C4* U B2754 38.625 33.337 77.087 1.00 0.00 C ATOM 59150 O4* U B2754 39.843 33.683 76.364 1.00 0.00 O ATOM 59151 C3* U B2754 37.965 34.689 77.365 1.00 0.00 C ATOM 59152 O3* U B2754 36.463 34.888 77.633 1.00 0.00 O ATOM 59153 C2* U B2754 39.174 35.587 77.620 1.00 0.00 C ATOM 59154 O2* U B2754 39.710 35.356 78.915 1.00 0.00 O ATOM 59155 C1* U B2754 40.185 35.035 76.618 1.00 0.00 C ATOM 59156 N1 U B2754 40.235 35.863 75.133 1.00 0.00 N ATOM 59157 C2 U B2754 41.397 36.534 74.831 1.00 0.00 C ATOM 59158 O2 U B2754 42.325 36.632 75.609 1.00 0.00 O ATOM 59159 N3 U B2754 41.445 37.103 73.570 1.00 0.00 N ATOM 59160 C4 U B2754 40.452 37.056 72.614 1.00 0.00 C ATOM 59161 O4 U B2754 40.609 37.599 71.517 1.00 0.00 O ATOM 59162 C5 U B2754 39.273 36.327 73.020 1.00 0.00 C ATOM 59163 C6 U B2754 39.201 35.767 74.241 1.00 0.00 C ATOM 59164 P C B2755 35.581 34.250 79.114 1.00 0.00 P ATOM 59165 O1P C B2755 34.344 33.531 78.726 1.00 0.00 O ATOM 59166 O2P C B2755 35.423 35.270 80.175 1.00 0.00 O ATOM 59167 O5* C B2755 36.958 33.142 79.493 1.00 0.00 O ATOM 59168 C5* C B2755 38.186 33.697 79.970 1.00 0.00 C ATOM 59169 C4* C B2755 38.677 33.016 81.332 1.00 0.00 C ATOM 59170 O4* C B2755 38.831 33.875 82.496 1.00 0.00 O ATOM 59171 C3* C B2755 37.934 31.795 81.868 1.00 0.00 C ATOM 59172 O3* C B2755 37.682 30.642 80.905 1.00 0.00 O ATOM 59173 C2* C B2755 38.533 31.650 83.269 1.00 0.00 C ATOM 59174 O2* C B2755 39.828 31.083 83.202 1.00 0.00 O ATOM 59175 C1* C B2755 38.707 33.105 83.681 1.00 0.00 C ATOM 59176 N1 C B2755 37.424 33.739 84.597 1.00 0.00 N ATOM 59177 C2 C B2755 37.341 33.371 85.937 1.00 0.00 C ATOM 59178 O2 C B2755 38.199 32.610 86.403 1.00 0.00 O ATOM 59179 N3 C B2755 36.323 33.865 86.688 1.00 0.00 N ATOM 59180 C4 C B2755 35.414 34.687 86.148 1.00 0.00 C ATOM 59181 N4 C B2755 34.440 35.142 86.918 1.00 0.00 N ATOM 59182 C5 C B2755 35.481 35.071 84.772 1.00 0.00 C ATOM 59183 C6 C B2755 36.507 34.570 84.037 1.00 0.00 C ATOM 59184 P U B2756 35.935 30.170 80.635 1.00 0.00 P ATOM 59185 O1P U B2756 35.420 30.536 79.299 1.00 0.00 O ATOM 59186 O2P U B2756 35.084 30.550 81.784 1.00 0.00 O ATOM 59187 O5* U B2756 36.441 28.423 80.661 1.00 0.00 O ATOM 59188 C5* U B2756 37.789 27.928 80.746 1.00 0.00 C ATOM 59189 C4* U B2756 38.418 28.066 82.247 1.00 0.00 C ATOM 59190 O4* U B2756 37.898 29.162 83.051 1.00 0.00 O ATOM 59191 C3* U B2756 38.277 26.842 83.150 1.00 0.00 C ATOM 59192 O3* U B2756 39.227 25.751 82.635 1.00 0.00 O ATOM 59193 C2* U B2756 38.578 27.425 84.527 1.00 0.00 C ATOM 59194 O2* U B2756 39.969 27.639 84.693 1.00 0.00 O ATOM 59195 C1* U B2756 37.932 28.807 84.424 1.00 0.00 C ATOM 59196 N1 U B2756 36.357 28.896 85.034 1.00 0.00 N ATOM 59197 C2 U B2756 36.202 28.722 86.390 1.00 0.00 C ATOM 59198 O2 U B2756 37.130 28.452 87.135 1.00 0.00 O ATOM 59199 N3 U B2756 34.910 28.874 86.864 1.00 0.00 N ATOM 59200 C4 U B2756 33.792 29.175 86.112 1.00 0.00 C ATOM 59201 O4 U B2756 32.689 29.281 86.651 1.00 0.00 O ATOM 59202 C5 U B2756 34.054 29.339 84.701 1.00 0.00 C ATOM 59203 C6 U B2756 35.300 29.198 84.212 1.00 0.00 C ATOM 59204 P A B2757 38.484 24.293 81.849 1.00 0.00 P ATOM 59205 O1P A B2757 39.118 23.967 80.551 1.00 0.00 O ATOM 59206 O2P A B2757 37.005 24.306 81.856 1.00 0.00 O ATOM 59207 O5* A B2757 39.210 23.342 83.212 1.00 0.00 O ATOM 59208 C5* A B2757 39.942 24.043 84.245 1.00 0.00 C ATOM 59209 C4* A B2757 39.093 24.180 85.613 1.00 0.00 C ATOM 59210 O4* A B2757 38.256 25.337 85.912 1.00 0.00 O ATOM 59211 C3* A B2757 38.272 22.993 86.117 1.00 0.00 C ATOM 59212 O3* A B2757 39.072 21.724 86.162 1.00 0.00 O ATOM 59213 C2* A B2757 37.603 23.569 87.362 1.00 0.00 C ATOM 59214 O2* A B2757 38.523 23.646 88.439 1.00 0.00 O ATOM 59215 C1* A B2757 37.315 25.003 86.921 1.00 0.00 C ATOM 59216 N9 A B2757 35.769 25.250 86.306 1.00 0.00 N ATOM 59217 C8 A B2757 35.367 25.284 84.989 1.00 0.00 C ATOM 59218 N7 A B2757 34.132 25.650 84.825 1.00 0.00 N ATOM 59219 C5 A B2757 33.675 25.875 86.115 1.00 0.00 C ATOM 59220 C6 A B2757 32.429 26.284 86.622 1.00 0.00 C ATOM 59221 N6 A B2757 31.369 26.557 85.846 1.00 0.00 N ATOM 59222 N1 A B2757 32.315 26.410 87.956 1.00 0.00 N ATOM 59223 C2 A B2757 33.374 26.139 88.718 1.00 0.00 C ATOM 59224 N3 A B2757 34.578 25.750 88.363 1.00 0.00 N ATOM 59225 C4 A B2757 34.666 25.633 87.025 1.00 0.00 C ATOM 59226 P A B2758 38.154 20.217 85.762 1.00 0.00 P ATOM 59227 O1P A B2758 39.150 19.124 85.829 1.00 0.00 O ATOM 59228 O2P A B2758 37.225 20.169 84.614 1.00 0.00 O ATOM 59229 O5* A B2758 37.327 20.282 87.129 1.00 0.00 O ATOM 59230 C5* A B2758 38.039 20.420 88.370 1.00 0.00 C ATOM 59231 C4* A B2758 37.058 20.588 89.514 1.00 0.00 C ATOM 59232 O4* A B2758 36.384 21.870 89.376 1.00 0.00 O ATOM 59233 C3* A B2758 35.916 19.573 89.565 1.00 0.00 C ATOM 59234 O3* A B2758 36.304 18.397 90.202 1.00 0.00 O ATOM 59235 C2* A B2758 34.843 20.337 90.337 1.00 0.00 C ATOM 59236 O2* A B2758 35.144 20.367 91.721 1.00 0.00 O ATOM 59237 C1* A B2758 35.039 21.756 89.811 1.00 0.00 C ATOM 59238 N9 A B2758 34.151 22.095 88.663 1.00 0.00 N ATOM 59239 C8 A B2758 34.471 22.222 87.330 1.00 0.00 C ATOM 59240 N7 A B2758 33.461 22.532 86.576 1.00 0.00 N ATOM 59241 C5 A B2758 32.394 22.621 87.460 1.00 0.00 C ATOM 59242 C6 A B2758 31.035 22.919 87.279 1.00 0.00 C ATOM 59243 N6 A B2758 30.493 23.196 86.083 1.00 0.00 N ATOM 59244 N1 A B2758 30.250 22.921 88.371 1.00 0.00 N ATOM 59245 C2 A B2758 30.795 22.645 89.552 1.00 0.00 C ATOM 59246 N3 A B2758 32.043 22.353 89.845 1.00 0.00 N ATOM 59247 C4 A B2758 32.807 22.357 88.733 1.00 0.00 C ATOM 59248 P G B2759 35.668 16.981 89.692 1.00 0.00 P ATOM 59249 O1P G B2759 36.456 15.847 90.224 1.00 0.00 O ATOM 59250 O2P G B2759 35.503 17.018 88.221 1.00 0.00 O ATOM 59251 O5* G B2759 34.235 17.021 90.401 1.00 0.00 O ATOM 59252 C5* G B2759 34.167 17.084 91.840 1.00 0.00 C ATOM 59253 C4* G B2759 32.727 17.241 92.284 1.00 0.00 C ATOM 59254 O4* G B2759 32.248 18.555 91.876 1.00 0.00 O ATOM 59255 C3* G B2759 31.727 16.270 91.655 1.00 0.00 C ATOM 59256 O3* G B2759 31.696 15.059 92.334 1.00 0.00 O ATOM 59257 C2* G B2759 30.415 17.048 91.770 1.00 0.00 C ATOM 59258 O2* G B2759 29.924 17.008 93.099 1.00 0.00 O ATOM 59259 C1* G B2759 30.879 18.477 91.514 1.00 0.00 C ATOM 59260 N9 G B2759 30.754 18.900 90.090 1.00 0.00 N ATOM 59261 C8 G B2759 31.740 19.068 89.142 1.00 0.00 C ATOM 59262 N7 G B2759 31.293 19.451 87.970 1.00 0.00 N ATOM 59263 C5 G B2759 29.913 19.544 88.155 1.00 0.00 C ATOM 59264 C6 G B2759 28.890 19.914 87.243 1.00 0.00 C ATOM 59265 O6 G B2759 28.996 20.243 86.064 1.00 0.00 O ATOM 59266 N1 G B2759 27.630 19.874 87.846 1.00 0.00 N ATOM 59267 C2 G B2759 27.383 19.524 89.161 1.00 0.00 C ATOM 59268 N2 G B2759 26.105 19.549 89.546 1.00 0.00 N ATOM 59269 N3 G B2759 28.342 19.175 90.016 1.00 0.00 N ATOM 59270 C4 G B2759 29.576 19.210 89.446 1.00 0.00 C ATOM 59271 P C B2760 31.417 13.689 91.484 1.00 0.00 P ATOM 59272 O1P C B2760 31.783 12.504 92.291 1.00 0.00 O ATOM 59273 O2P C B2760 32.070 13.792 90.159 1.00 0.00 O ATOM 59274 O5* C B2760 29.828 13.761 91.314 1.00 0.00 O ATOM 59275 C5* C B2760 28.998 13.767 92.492 1.00 0.00 C ATOM 59276 C4* C B2760 27.545 13.962 92.101 1.00 0.00 C ATOM 59277 O4* C B2760 27.380 15.308 91.572 1.00 0.00 O ATOM 59278 C3* C B2760 27.030 13.059 90.980 1.00 0.00 C ATOM 59279 O3* C B2760 26.623 11.819 91.466 1.00 0.00 O ATOM 59280 C2* C B2760 25.872 13.883 90.415 1.00 0.00 C ATOM 59281 O2* C B2760 24.742 13.807 91.270 1.00 0.00 O ATOM 59282 C1* C B2760 26.420 15.301 90.527 1.00 0.00 C ATOM 59283 N1 C B2760 27.085 15.785 89.285 1.00 0.00 N ATOM 59284 C2 C B2760 26.275 16.131 88.207 1.00 0.00 C ATOM 59285 O2 C B2760 25.049 16.022 88.326 1.00 0.00 O ATOM 59286 N3 C B2760 26.862 16.574 87.066 1.00 0.00 N ATOM 59287 C4 C B2760 28.197 16.678 86.980 1.00 0.00 C ATOM 59288 N4 C B2760 28.719 17.115 85.848 1.00 0.00 N ATOM 59289 C5 C B2760 29.046 16.329 88.080 1.00 0.00 C ATOM 59290 C6 C B2760 28.440 15.887 89.211 1.00 0.00 C ATOM 59291 P A B2761 26.832 10.501 90.527 1.00 0.00 P ATOM 59292 O1P A B2761 26.691 9.269 91.335 1.00 0.00 O ATOM 59293 O2P A B2761 28.095 10.631 89.768 1.00 0.00 O ATOM 59294 O5* A B2761 25.585 10.642 89.532 1.00 0.00 O ATOM 59295 C5* A B2761 24.255 10.631 90.077 1.00 0.00 C ATOM 59296 C4* A B2761 23.244 10.901 88.980 1.00 0.00 C ATOM 59297 O4* A B2761 23.402 12.276 88.520 1.00 0.00 O ATOM 59298 C3* A B2761 23.400 10.068 87.708 1.00 0.00 C ATOM 59299 O3* A B2761 22.783 8.826 87.831 1.00 0.00 O ATOM 59300 C2* A B2761 22.738 10.956 86.658 1.00 0.00 C ATOM 59301 O2* A B2761 21.326 10.891 86.764 1.00 0.00 O ATOM 59302 C1* A B2761 23.155 12.347 87.127 1.00 0.00 C ATOM 59303 N9 A B2761 24.389 12.855 86.467 1.00 0.00 N ATOM 59304 C8 A B2761 25.661 12.976 86.983 1.00 0.00 C ATOM 59305 N7 A B2761 26.526 13.455 86.143 1.00 0.00 N ATOM 59306 C5 A B2761 25.789 13.675 84.989 1.00 0.00 C ATOM 59307 C6 A B2761 26.134 14.178 83.722 1.00 0.00 C ATOM 59308 N6 A B2761 27.372 14.573 83.397 1.00 0.00 N ATOM 59309 N1 A B2761 25.157 14.261 82.802 1.00 0.00 N ATOM 59310 C2 A B2761 23.928 13.864 83.131 1.00 0.00 C ATOM 59311 N3 A B2761 23.490 13.380 84.272 1.00 0.00 N ATOM 59312 C4 A B2761 24.485 13.308 85.175 1.00 0.00 C ATOM 59313 P C B2762 23.445 7.537 87.080 1.00 0.00 P ATOM 59314 O1P C B2762 22.877 6.282 87.614 1.00 0.00 O ATOM 59315 O2P C B2762 24.922 7.651 87.127 1.00 0.00 O ATOM 59316 O5* C B2762 22.934 7.769 85.581 1.00 0.00 O ATOM 59317 C5* C B2762 21.519 7.792 85.323 1.00 0.00 C ATOM 59318 C4* C B2762 21.260 8.144 83.872 1.00 0.00 C ATOM 59319 O4* C B2762 21.658 9.530 83.647 1.00 0.00 O ATOM 59320 C3* C B2762 22.069 7.359 82.839 1.00 0.00 C ATOM 59321 O3* C B2762 21.466 6.137 82.541 1.00 0.00 O ATOM 59322 C2* C B2762 22.085 8.315 81.649 1.00 0.00 C ATOM 59323 O2* C B2762 20.840 8.302 80.978 1.00 0.00 O ATOM 59324 C1* C B2762 22.201 9.668 82.344 1.00 0.00 C ATOM 59325 N1 C B2762 23.603 10.152 82.480 1.00 0.00 N ATOM 59326 C2 C B2762 24.241 10.629 81.338 1.00 0.00 C ATOM 59327 O2 C B2762 23.620 10.632 80.269 1.00 0.00 O ATOM 59328 N3 C B2762 25.520 11.076 81.444 1.00 0.00 N ATOM 59329 C4 C B2762 26.155 11.056 82.620 1.00 0.00 C ATOM 59330 N4 C B2762 27.402 11.500 82.668 1.00 0.00 N ATOM 59331 C5 C B2762 25.519 10.567 83.808 1.00 0.00 C ATOM 59332 C6 C B2762 24.243 10.127 83.682 1.00 0.00 C ATOM 59333 P G B2763 20.389 5.220 83.750 1.00 0.00 P ATOM 59334 O1P G B2763 21.194 4.682 84.865 1.00 0.00 O ATOM 59335 O2P G B2763 19.598 4.226 82.992 1.00 0.00 O ATOM 59336 O5* G B2763 19.279 6.557 84.374 1.00 0.00 O ATOM 59337 C5* G B2763 18.529 7.009 85.552 1.00 0.00 C ATOM 59338 C4* G B2763 17.246 8.004 85.337 1.00 0.00 C ATOM 59339 O4* G B2763 15.983 7.457 84.863 1.00 0.00 O ATOM 59340 C3* G B2763 16.831 9.165 86.238 1.00 0.00 C ATOM 59341 O3* G B2763 17.871 10.165 86.758 1.00 0.00 O ATOM 59342 C2* G B2763 15.602 9.712 85.507 1.00 0.00 C ATOM 59343 O2* G B2763 15.984 10.468 84.371 1.00 0.00 O ATOM 59344 C1* G B2763 14.955 8.429 84.990 1.00 0.00 C ATOM 59345 N9 G B2763 13.719 7.784 86.009 1.00 0.00 N ATOM 59346 C8 G B2763 13.828 6.879 87.042 1.00 0.00 C ATOM 59347 N7 G B2763 12.679 6.513 87.554 1.00 0.00 N ATOM 59348 C5 G B2763 11.740 7.232 86.813 1.00 0.00 C ATOM 59349 C6 G B2763 10.327 7.255 86.899 1.00 0.00 C ATOM 59350 O6 G B2763 9.594 6.639 87.670 1.00 0.00 O ATOM 59351 N1 G B2763 9.769 8.123 85.952 1.00 0.00 N ATOM 59352 C2 G B2763 10.485 8.868 85.034 1.00 0.00 C ATOM 59353 N2 G B2763 9.760 9.637 84.215 1.00 0.00 N ATOM 59354 N3 G B2763 11.812 8.847 84.950 1.00 0.00 N ATOM 59355 C4 G B2763 12.370 8.009 85.865 1.00 0.00 C ATOM 59356 P A B2764 18.505 11.554 85.730 1.00 0.00 P ATOM 59357 O1P A B2764 18.918 11.162 84.364 1.00 0.00 O ATOM 59358 O2P A B2764 19.510 12.290 86.522 1.00 0.00 O ATOM 59359 O5* A B2764 16.948 12.503 85.632 1.00 0.00 O ATOM 59360 C5* A B2764 16.028 12.831 84.575 1.00 0.00 C ATOM 59361 C4* A B2764 14.505 12.729 85.163 1.00 0.00 C ATOM 59362 O4* A B2764 14.518 12.460 86.594 1.00 0.00 O ATOM 59363 C3* A B2764 13.596 13.951 85.025 1.00 0.00 C ATOM 59364 O3* A B2764 13.197 14.190 83.516 1.00 0.00 O ATOM 59365 C2* A B2764 12.545 13.694 86.098 1.00 0.00 C ATOM 59366 O2* A B2764 11.619 12.708 85.669 1.00 0.00 O ATOM 59367 C1* A B2764 13.384 13.060 87.203 1.00 0.00 C ATOM 59368 N9 A B2764 13.925 14.141 88.387 1.00 0.00 N ATOM 59369 C8 A B2764 13.749 15.505 88.444 1.00 0.00 C ATOM 59370 N7 A B2764 14.417 16.084 89.392 1.00 0.00 N ATOM 59371 C5 A B2764 15.088 15.038 90.017 1.00 0.00 C ATOM 59372 C6 A B2764 15.970 14.992 91.106 1.00 0.00 C ATOM 59373 N6 A B2764 16.347 16.079 91.796 1.00 0.00 N ATOM 59374 N1 A B2764 16.452 13.789 91.465 1.00 0.00 N ATOM 59375 C2 A B2764 16.074 12.713 90.777 1.00 0.00 C ATOM 59376 N3 A B2764 15.261 12.633 89.746 1.00 0.00 N ATOM 59377 C4 A B2764 14.790 13.852 89.410 1.00 0.00 C ATOM 59378 P A B2765 11.966 13.121 82.616 1.00 0.00 P ATOM 59379 O1P A B2765 10.681 13.852 82.535 1.00 0.00 O ATOM 59380 O2P A B2765 11.897 11.761 83.198 1.00 0.00 O ATOM 59381 O5* A B2765 12.724 12.985 80.930 1.00 0.00 O ATOM 59382 C5* A B2765 12.435 12.233 79.683 1.00 0.00 C ATOM 59383 C4* A B2765 13.744 11.982 78.698 1.00 0.00 C ATOM 59384 O4* A B2765 14.874 12.648 79.341 1.00 0.00 O ATOM 59385 C3* A B2765 14.303 10.617 78.293 1.00 0.00 C ATOM 59386 O3* A B2765 13.639 9.599 77.337 1.00 0.00 O ATOM 59387 C2* A B2765 15.741 10.961 77.906 1.00 0.00 C ATOM 59388 O2* A B2765 15.778 11.578 76.632 1.00 0.00 O ATOM 59389 C1* A B2765 16.086 12.034 78.929 1.00 0.00 C ATOM 59390 N9 A B2765 16.874 11.473 80.282 1.00 0.00 N ATOM 59391 C8 A B2765 16.974 12.069 81.522 1.00 0.00 C ATOM 59392 N7 A B2765 17.490 11.301 82.431 1.00 0.00 N ATOM 59393 C5 A B2765 17.751 10.119 81.764 1.00 0.00 C ATOM 59394 C6 A B2765 18.300 8.896 82.184 1.00 0.00 C ATOM 59395 N6 A B2765 18.713 8.660 83.439 1.00 0.00 N ATOM 59396 N1 A B2765 18.425 7.921 81.260 1.00 0.00 N ATOM 59397 C2 A B2765 18.016 8.163 80.018 1.00 0.00 C ATOM 59398 N3 A B2765 17.485 9.255 79.510 1.00 0.00 N ATOM 59399 C4 A B2765 17.378 10.215 80.455 1.00 0.00 C ATOM 59400 P A B2766 13.715 7.813 77.854 1.00 0.00 P ATOM 59401 O1P A B2766 12.364 7.219 77.727 1.00 0.00 O ATOM 59402 O2P A B2766 14.348 7.694 79.187 1.00 0.00 O ATOM 59403 O5* A B2766 14.809 7.083 76.543 1.00 0.00 O ATOM 59404 C5* A B2766 15.491 5.849 76.060 1.00 0.00 C ATOM 59405 C4* A B2766 15.443 5.517 74.440 1.00 0.00 C ATOM 59406 O4* A B2766 15.268 6.728 73.649 1.00 0.00 O ATOM 59407 C3* A B2766 16.364 4.646 73.582 1.00 0.00 C ATOM 59408 O3* A B2766 16.884 3.180 73.861 1.00 0.00 O ATOM 59409 C2* A B2766 15.888 4.977 72.169 1.00 0.00 C ATOM 59410 O2* A B2766 14.668 4.317 71.882 1.00 0.00 O ATOM 59411 C1* A B2766 15.570 6.465 72.287 1.00 0.00 C ATOM 59412 N9 A B2766 14.308 6.966 71.375 1.00 0.00 N ATOM 59413 C8 A B2766 14.308 7.879 70.343 1.00 0.00 C ATOM 59414 N7 A B2766 13.122 8.208 69.933 1.00 0.00 N ATOM 59415 C5 A B2766 12.268 7.473 70.740 1.00 0.00 C ATOM 59416 C6 A B2766 10.868 7.383 70.806 1.00 0.00 C ATOM 59417 N6 A B2766 10.048 8.075 70.004 1.00 0.00 N ATOM 59418 N1 A B2766 10.344 6.556 71.728 1.00 0.00 N ATOM 59419 C2 A B2766 11.166 5.874 72.524 1.00 0.00 C ATOM 59420 N3 A B2766 12.482 5.879 72.556 1.00 0.00 N ATOM 59421 C4 A B2766 12.982 6.712 71.619 1.00 0.00 C ATOM 59422 P C B2767 16.677 1.803 72.613 1.00 0.00 P ATOM 59423 O1P C B2767 15.210 1.742 72.450 1.00 0.00 O ATOM 59424 O2P C B2767 17.359 0.505 72.821 1.00 0.00 O ATOM 59425 O5* C B2767 17.329 2.562 71.362 1.00 0.00 O ATOM 59426 C5* C B2767 16.526 3.496 70.619 1.00 0.00 C ATOM 59427 C4* C B2767 17.373 4.183 69.566 1.00 0.00 C ATOM 59428 O4* C B2767 18.343 5.041 70.232 1.00 0.00 O ATOM 59429 C3* C B2767 18.230 3.263 68.695 1.00 0.00 C ATOM 59430 O3* C B2767 17.502 2.752 67.622 1.00 0.00 O ATOM 59431 C2* C B2767 19.351 4.200 68.250 1.00 0.00 C ATOM 59432 O2* C B2767 18.900 5.077 67.233 1.00 0.00 O ATOM 59433 C1* C B2767 19.561 5.044 69.504 1.00 0.00 C ATOM 59434 N1 C B2767 20.635 4.530 70.399 1.00 0.00 N ATOM 59435 C2 C B2767 21.957 4.706 69.999 1.00 0.00 C ATOM 59436 O2 C B2767 22.182 5.280 68.926 1.00 0.00 O ATOM 59437 N3 C B2767 22.950 4.245 70.801 1.00 0.00 N ATOM 59438 C4 C B2767 22.663 3.628 71.954 1.00 0.00 C ATOM 59439 N4 C B2767 23.669 3.194 72.700 1.00 0.00 N ATOM 59440 C5 C B2767 21.310 3.436 72.385 1.00 0.00 C ATOM 59441 C6 C B2767 20.335 3.903 71.569 1.00 0.00 C ATOM 59442 P U B2768 17.839 1.244 67.094 1.00 0.00 P ATOM 59443 O1P U B2768 16.746 0.750 66.227 1.00 0.00 O ATOM 59444 O2P U B2768 18.185 0.383 68.248 1.00 0.00 O ATOM 59445 O5* U B2768 19.145 1.521 66.213 1.00 0.00 O ATOM 59446 C5* U B2768 19.053 2.410 65.087 1.00 0.00 C ATOM 59447 C4* U B2768 20.425 2.624 64.480 1.00 0.00 C ATOM 59448 O4* U B2768 21.248 3.371 65.423 1.00 0.00 O ATOM 59449 C3* U B2768 21.237 1.358 64.207 1.00 0.00 C ATOM 59450 O3* U B2768 20.899 0.785 62.984 1.00 0.00 O ATOM 59451 C2* U B2768 22.671 1.883 64.235 1.00 0.00 C ATOM 59452 O2* U B2768 22.976 2.576 63.037 1.00 0.00 O ATOM 59453 C1* U B2768 22.593 2.927 65.346 1.00 0.00 C ATOM 59454 N1 U B2768 22.984 2.408 66.684 1.00 0.00 N ATOM 59455 C2 U B2768 24.322 2.192 66.906 1.00 0.00 C ATOM 59456 O2 U B2768 25.176 2.407 66.063 1.00 0.00 O ATOM 59457 N3 U B2768 24.646 1.709 68.158 1.00 0.00 N ATOM 59458 C4 U B2768 23.765 1.432 69.184 1.00 0.00 C ATOM 59459 O4 U B2768 24.175 1.002 70.265 1.00 0.00 O ATOM 59460 C5 U B2768 22.381 1.690 68.857 1.00 0.00 C ATOM 59461 C6 U B2768 22.039 2.159 67.645 1.00 0.00 C ATOM 59462 P U B2769 20.942 -0.840 62.836 1.00 0.00 P ATOM 59463 O1P U B2769 20.215 -1.265 61.619 1.00 0.00 O ATOM 59464 O2P U B2769 20.498 -1.461 64.102 1.00 0.00 O ATOM 59465 O5* U B2769 22.512 -1.079 62.635 1.00 0.00 O ATOM 59466 C5* U B2769 23.174 -0.482 61.507 1.00 0.00 C ATOM 59467 C4* U B2769 24.665 -0.731 61.584 1.00 0.00 C ATOM 59468 O4* U B2769 25.211 0.009 62.714 1.00 0.00 O ATOM 59469 C3* U B2769 25.083 -2.178 61.857 1.00 0.00 C ATOM 59470 O3* U B2769 25.125 -2.928 60.682 1.00 0.00 O ATOM 59471 C2* U B2769 26.461 -1.998 62.488 1.00 0.00 C ATOM 59472 O2* U B2769 27.433 -1.691 61.500 1.00 0.00 O ATOM 59473 C1* U B2769 26.258 -0.734 63.315 1.00 0.00 C ATOM 59474 N1 U B2769 25.880 -0.999 64.732 1.00 0.00 N ATOM 59475 C2 U B2769 26.867 -1.454 65.568 1.00 0.00 C ATOM 59476 O2 U B2769 28.017 -1.641 65.200 1.00 0.00 O ATOM 59477 N3 U B2769 26.479 -1.689 66.873 1.00 0.00 N ATOM 59478 C4 U B2769 25.216 -1.513 67.396 1.00 0.00 C ATOM 59479 O4 U B2769 24.987 -1.758 68.583 1.00 0.00 O ATOM 59480 C5 U B2769 24.246 -1.033 66.440 1.00 0.00 C ATOM 59481 C6 U B2769 24.595 -0.795 65.165 1.00 0.00 C ATOM 59482 P G B2770 26.256 -3.066 59.214 1.00 0.00 P ATOM 59483 O1P G B2770 26.939 -1.796 58.887 1.00 0.00 O ATOM 59484 O2P G B2770 25.456 -3.668 58.118 1.00 0.00 O ATOM 59485 O5* G B2770 27.416 -4.375 59.813 1.00 0.00 O ATOM 59486 C5* G B2770 28.106 -5.532 59.197 1.00 0.00 C ATOM 59487 C4* G B2770 29.456 -6.096 59.986 1.00 0.00 C ATOM 59488 O4* G B2770 29.944 -5.037 60.854 1.00 0.00 O ATOM 59489 C3* G B2770 29.371 -7.317 60.906 1.00 0.00 C ATOM 59490 O3* G B2770 28.070 -7.994 61.475 1.00 0.00 O ATOM 59491 C2* G B2770 30.582 -7.115 61.812 1.00 0.00 C ATOM 59492 O2* G B2770 31.779 -7.458 61.144 1.00 0.00 O ATOM 59493 C1* G B2770 30.588 -5.602 61.989 1.00 0.00 C ATOM 59494 N9 G B2770 29.788 -5.049 63.388 1.00 0.00 N ATOM 59495 C8 G B2770 28.787 -4.108 63.500 1.00 0.00 C ATOM 59496 N7 G B2770 28.264 -4.022 64.698 1.00 0.00 N ATOM 59497 C5 G B2770 28.965 -4.980 65.436 1.00 0.00 C ATOM 59498 C6 G B2770 28.846 -5.349 66.803 1.00 0.00 C ATOM 59499 O6 G B2770 28.082 -4.907 67.655 1.00 0.00 O ATOM 59500 N1 G B2770 29.752 -6.364 67.137 1.00 0.00 N ATOM 59501 C2 G B2770 30.655 -6.941 66.266 1.00 0.00 C ATOM 59502 N2 G B2770 31.436 -7.898 66.782 1.00 0.00 N ATOM 59503 N3 G B2770 30.765 -6.596 64.988 1.00 0.00 N ATOM 59504 C4 G B2770 29.896 -5.612 64.645 1.00 0.00 C ATOM 59505 P C B2771 27.244 -9.478 60.799 1.00 0.00 P ATOM 59506 O1P C B2771 27.797 -10.793 61.204 1.00 0.00 O ATOM 59507 O2P C B2771 26.912 -9.334 59.365 1.00 0.00 O ATOM 59508 O5* C B2771 25.958 -9.135 61.690 1.00 0.00 O ATOM 59509 C5* C B2771 25.048 -8.115 61.240 1.00 0.00 C ATOM 59510 C4* C B2771 23.848 -8.042 62.162 1.00 0.00 C ATOM 59511 O4* C B2771 23.071 -9.266 62.017 1.00 0.00 O ATOM 59512 C3* C B2771 24.161 -7.983 63.658 1.00 0.00 C ATOM 59513 O3* C B2771 24.425 -6.680 64.074 1.00 0.00 O ATOM 59514 C2* C B2771 22.884 -8.551 64.276 1.00 0.00 C ATOM 59515 O2* C B2771 21.843 -7.588 64.251 1.00 0.00 O ATOM 59516 C1* C B2771 22.510 -9.633 63.268 1.00 0.00 C ATOM 59517 N1 C B2771 23.030 -10.984 63.622 1.00 0.00 N ATOM 59518 C2 C B2771 22.403 -11.667 64.660 1.00 0.00 C ATOM 59519 O2 C B2771 21.454 -11.130 65.241 1.00 0.00 O ATOM 59520 N3 C B2771 22.859 -12.899 64.999 1.00 0.00 N ATOM 59521 C4 C B2771 23.894 -13.449 64.348 1.00 0.00 C ATOM 59522 N4 C B2771 24.301 -14.653 64.718 1.00 0.00 N ATOM 59523 C5 C B2771 24.552 -12.763 63.277 1.00 0.00 C ATOM 59524 C6 C B2771 24.082 -11.532 62.955 1.00 0.00 C ATOM 59525 P C B2772 25.518 -6.442 65.262 1.00 0.00 P ATOM 59526 O1P C B2772 25.926 -5.020 65.307 1.00 0.00 O ATOM 59527 O2P C B2772 26.618 -7.424 65.128 1.00 0.00 O ATOM 59528 O5* C B2772 24.637 -6.788 66.555 1.00 0.00 O ATOM 59529 C5* C B2772 23.459 -6.008 66.825 1.00 0.00 C ATOM 59530 C4* C B2772 22.716 -6.585 68.013 1.00 0.00 C ATOM 59531 O4* C B2772 22.170 -7.886 67.639 1.00 0.00 O ATOM 59532 C3* C B2772 23.564 -6.884 69.249 1.00 0.00 C ATOM 59533 O3* C B2772 23.734 -5.749 70.039 1.00 0.00 O ATOM 59534 C2* C B2772 22.747 -7.968 69.944 1.00 0.00 C ATOM 59535 O2* C B2772 21.626 -7.411 70.603 1.00 0.00 O ATOM 59536 C1* C B2772 22.215 -8.763 68.754 1.00 0.00 C ATOM 59537 N1 C B2772 23.061 -9.931 68.388 1.00 0.00 N ATOM 59538 C2 C B2772 23.016 -11.052 69.214 1.00 0.00 C ATOM 59539 O2 C B2772 22.281 -11.027 70.209 1.00 0.00 O ATOM 59540 N3 C B2772 23.779 -12.127 68.897 1.00 0.00 N ATOM 59541 C4 C B2772 24.561 -12.113 67.809 1.00 0.00 C ATOM 59542 N4 C B2772 25.285 -13.187 67.543 1.00 0.00 N ATOM 59543 C5 C B2772 24.621 -10.974 66.946 1.00 0.00 C ATOM 59544 C6 C B2772 23.852 -9.907 67.279 1.00 0.00 C ATOM 59545 P C B2773 25.136 -5.555 70.849 1.00 0.00 P ATOM 59546 O1P C B2773 25.270 -4.158 71.316 1.00 0.00 O ATOM 59547 O2P C B2773 26.252 -6.068 70.025 1.00 0.00 O ATOM 59548 O5* C B2773 24.897 -6.524 72.101 1.00 0.00 O ATOM 59549 C5* C B2773 23.796 -6.260 72.989 1.00 0.00 C ATOM 59550 C4* C B2773 23.685 -7.364 74.018 1.00 0.00 C ATOM 59551 O4* C B2773 23.279 -8.595 73.353 1.00 0.00 O ATOM 59552 C3* C B2773 24.984 -7.744 74.733 1.00 0.00 C ATOM 59553 O3* C B2773 25.238 -6.901 75.814 1.00 0.00 O ATOM 59554 C2* C B2773 24.706 -9.185 75.158 1.00 0.00 C ATOM 59555 O2* C B2773 23.844 -9.215 76.284 1.00 0.00 O ATOM 59556 C1* C B2773 23.906 -9.707 73.970 1.00 0.00 C ATOM 59557 N1 C B2773 24.737 -10.396 72.945 1.00 0.00 N ATOM 59558 C2 C B2773 25.214 -11.668 73.247 1.00 0.00 C ATOM 59559 O2 C B2773 24.930 -12.171 74.340 1.00 0.00 O ATOM 59560 N3 C B2773 25.976 -12.315 72.326 1.00 0.00 N ATOM 59561 C4 C B2773 26.262 -11.738 71.150 1.00 0.00 C ATOM 59562 N4 C B2773 27.008 -12.410 70.288 1.00 0.00 N ATOM 59563 C5 C B2773 25.781 -10.428 70.823 1.00 0.00 C ATOM 59564 C6 C B2773 25.023 -9.801 71.755 1.00 0.00 C ATOM 59565 P C B2774 26.788 -6.540 76.178 1.00 0.00 P ATOM 59566 O1P C B2774 26.838 -5.376 77.092 1.00 0.00 O ATOM 59567 O2P C B2774 27.571 -6.418 74.933 1.00 0.00 O ATOM 59568 O5* C B2774 27.225 -7.864 76.965 1.00 0.00 O ATOM 59569 C5* C B2774 26.525 -8.226 78.170 1.00 0.00 C ATOM 59570 C4* C B2774 27.020 -9.568 78.674 1.00 0.00 C ATOM 59571 O4* C B2774 26.612 -10.603 77.733 1.00 0.00 O ATOM 59572 C3* C B2774 28.536 -9.728 78.766 1.00 0.00 C ATOM 59573 O3* C B2774 29.033 -9.214 79.962 1.00 0.00 O ATOM 59574 C2* C B2774 28.703 -11.241 78.663 1.00 0.00 C ATOM 59575 O2* C B2774 28.362 -11.872 79.886 1.00 0.00 O ATOM 59576 C1* C B2774 27.616 -11.604 77.657 1.00 0.00 C ATOM 59577 N1 C B2774 28.097 -11.667 76.248 1.00 0.00 N ATOM 59578 C2 C B2774 28.869 -12.761 75.876 1.00 0.00 C ATOM 59579 O2 C B2774 29.123 -13.627 76.721 1.00 0.00 O ATOM 59580 N3 C B2774 29.319 -12.839 74.597 1.00 0.00 N ATOM 59581 C4 C B2774 29.022 -11.878 73.710 1.00 0.00 C ATOM 59582 N4 C B2774 29.485 -12.000 72.477 1.00 0.00 N ATOM 59583 C5 C B2774 28.227 -10.745 74.072 1.00 0.00 C ATOM 59584 C6 C B2774 27.791 -10.686 75.357 1.00 0.00 C ATOM 59585 P G B2775 30.522 -9.627 80.998 1.00 0.00 P ATOM 59586 O1P G B2775 30.053 -10.130 82.310 1.00 0.00 O ATOM 59587 O2P G B2775 31.421 -8.449 81.046 1.00 0.00 O ATOM 59588 O5* G B2775 31.334 -10.994 80.082 1.00 0.00 O ATOM 59589 C5* G B2775 32.615 -11.691 79.955 1.00 0.00 C ATOM 59590 C4* G B2775 32.757 -12.188 78.406 1.00 0.00 C ATOM 59591 O4* G B2775 31.577 -11.689 77.717 1.00 0.00 O ATOM 59592 C3* G B2775 33.901 -11.891 77.436 1.00 0.00 C ATOM 59593 O3* G B2775 35.174 -12.792 77.642 1.00 0.00 O ATOM 59594 C2* G B2775 33.242 -12.130 76.078 1.00 0.00 C ATOM 59595 O2* G B2775 33.115 -13.516 75.818 1.00 0.00 O ATOM 59596 C1* G B2775 31.834 -11.591 76.323 1.00 0.00 C ATOM 59597 N9 G B2775 31.599 -9.969 75.845 1.00 0.00 N ATOM 59598 C8 G B2775 31.281 -8.870 76.619 1.00 0.00 C ATOM 59599 N7 G B2775 31.006 -7.791 75.932 1.00 0.00 N ATOM 59600 C5 G B2775 31.156 -8.198 74.604 1.00 0.00 C ATOM 59601 C6 G B2775 30.989 -7.462 73.403 1.00 0.00 C ATOM 59602 O6 G B2775 30.671 -6.286 73.257 1.00 0.00 O ATOM 59603 N1 G B2775 31.242 -8.264 72.280 1.00 0.00 N ATOM 59604 C2 G B2775 31.605 -9.598 72.311 1.00 0.00 C ATOM 59605 N2 G B2775 31.797 -10.183 71.128 1.00 0.00 N ATOM 59606 N3 G B2775 31.754 -10.284 73.444 1.00 0.00 N ATOM 59607 C4 G B2775 31.515 -9.525 74.545 1.00 0.00 C ATOM 59608 P A B2776 35.397 -14.548 77.106 1.00 0.00 P ATOM 59609 O1P A B2776 34.381 -15.165 76.230 1.00 0.00 O ATOM 59610 O2P A B2776 35.793 -15.346 78.293 1.00 0.00 O ATOM 59611 O5* A B2776 36.831 -14.056 76.097 1.00 0.00 O ATOM 59612 C5* A B2776 38.001 -13.393 76.559 1.00 0.00 C ATOM 59613 C4* A B2776 38.407 -12.116 75.650 1.00 0.00 C ATOM 59614 O4* A B2776 39.825 -11.769 75.668 1.00 0.00 O ATOM 59615 C3* A B2776 38.005 -11.947 74.186 1.00 0.00 C ATOM 59616 O3* A B2776 36.495 -11.868 73.940 1.00 0.00 O ATOM 59617 C2* A B2776 38.845 -10.747 73.758 1.00 0.00 C ATOM 59618 O2* A B2776 38.292 -9.545 74.260 1.00 0.00 O ATOM 59619 C1* A B2776 40.139 -10.991 74.528 1.00 0.00 C ATOM 59620 N9 A B2776 41.342 -11.794 73.650 1.00 0.00 N ATOM 59621 C8 A B2776 41.961 -12.984 73.940 1.00 0.00 C ATOM 59622 N7 A B2776 42.750 -13.413 73.004 1.00 0.00 N ATOM 59623 C5 A B2776 42.658 -12.441 72.017 1.00 0.00 C ATOM 59624 C6 A B2776 43.258 -12.312 70.755 1.00 0.00 C ATOM 59625 N6 A B2776 44.119 -13.210 70.248 1.00 0.00 N ATOM 59626 N1 A B2776 42.948 -11.223 70.028 1.00 0.00 N ATOM 59627 C2 A B2776 42.092 -10.335 70.538 1.00 0.00 C ATOM 59628 N3 A B2776 41.468 -10.352 71.698 1.00 0.00 N ATOM 59629 C4 A B2776 41.800 -11.450 72.405 1.00 0.00 C ATOM 59630 P G B2777 36.056 -11.434 72.222 1.00 0.00 P ATOM 59631 O1P G B2777 36.413 -10.035 71.887 1.00 0.00 O ATOM 59632 O2P G B2777 34.672 -11.846 71.903 1.00 0.00 O ATOM 59633 O5* G B2777 37.297 -12.608 71.604 1.00 0.00 O ATOM 59634 C5* G B2777 38.331 -13.507 72.040 1.00 0.00 C ATOM 59635 C4* G B2777 38.463 -14.836 71.123 1.00 0.00 C ATOM 59636 O4* G B2777 37.308 -15.725 71.125 1.00 0.00 O ATOM 59637 C3* G B2777 38.826 -14.716 69.641 1.00 0.00 C ATOM 59638 O3* G B2777 39.991 -13.877 69.121 1.00 0.00 O ATOM 59639 C2* G B2777 38.520 -16.119 69.124 1.00 0.00 C ATOM 59640 O2* G B2777 39.536 -17.031 69.507 1.00 0.00 O ATOM 59641 C1* G B2777 37.278 -16.479 69.930 1.00 0.00 C ATOM 59642 N9 G B2777 35.778 -16.163 69.124 1.00 0.00 N ATOM 59643 C8 G B2777 34.574 -16.827 69.233 1.00 0.00 C ATOM 59644 N7 G B2777 33.608 -16.291 68.524 1.00 0.00 N ATOM 59645 C5 G B2777 34.216 -15.198 67.902 1.00 0.00 C ATOM 59646 C6 G B2777 33.680 -14.234 67.006 1.00 0.00 C ATOM 59647 O6 G B2777 32.534 -14.146 66.575 1.00 0.00 O ATOM 59648 N1 G B2777 34.647 -13.301 66.621 1.00 0.00 N ATOM 59649 C2 G B2777 35.963 -13.297 67.037 1.00 0.00 C ATOM 59650 N2 G B2777 36.730 -12.319 66.554 1.00 0.00 N ATOM 59651 N3 G B2777 36.469 -14.200 67.875 1.00 0.00 N ATOM 59652 C4 G B2777 35.538 -15.114 68.262 1.00 0.00 C ATOM 59653 P A B2778 41.621 -14.667 68.853 1.00 0.00 P ATOM 59654 O1P A B2778 41.607 -15.792 67.894 1.00 0.00 O ATOM 59655 O2P A B2778 42.259 -14.947 70.161 1.00 0.00 O ATOM 59656 O5* A B2778 42.277 -13.175 68.033 1.00 0.00 O ATOM 59657 C5* A B2778 42.433 -12.373 66.841 1.00 0.00 C ATOM 59658 C4* A B2778 41.026 -11.724 66.370 1.00 0.00 C ATOM 59659 O4* A B2778 40.178 -11.182 67.417 1.00 0.00 O ATOM 59660 C3* A B2778 40.725 -10.838 65.159 1.00 0.00 C ATOM 59661 O3* A B2778 41.414 -10.979 63.776 1.00 0.00 O ATOM 59662 C2* A B2778 39.232 -10.563 65.328 1.00 0.00 C ATOM 59663 O2* A B2778 38.463 -11.693 64.944 1.00 0.00 O ATOM 59664 C1* A B2778 39.112 -10.441 66.843 1.00 0.00 C ATOM 59665 N9 A B2778 39.188 -8.856 67.431 1.00 0.00 N ATOM 59666 C8 A B2778 39.472 -7.699 66.739 1.00 0.00 C ATOM 59667 N7 A B2778 39.595 -6.653 67.493 1.00 0.00 N ATOM 59668 C5 A B2778 39.387 -7.134 68.778 1.00 0.00 C ATOM 59669 C6 A B2778 39.384 -6.515 70.034 1.00 0.00 C ATOM 59670 N6 A B2778 39.611 -5.207 70.213 1.00 0.00 N ATOM 59671 N1 A B2778 39.133 -7.289 71.109 1.00 0.00 N ATOM 59672 C2 A B2778 38.910 -8.588 70.924 1.00 0.00 C ATOM 59673 N3 A B2778 38.888 -9.275 69.801 1.00 0.00 N ATOM 59674 C4 A B2778 39.133 -8.480 68.746 1.00 0.00 C ATOM 59675 P U B2779 40.499 -11.559 62.274 1.00 0.00 P ATOM 59676 O1P U B2779 39.072 -11.191 62.318 1.00 0.00 O ATOM 59677 O2P U B2779 40.794 -12.996 62.047 1.00 0.00 O ATOM 59678 O5* U B2779 41.356 -10.509 61.015 1.00 0.00 O ATOM 59679 C5* U B2779 41.427 -9.273 60.231 1.00 0.00 C ATOM 59680 C4* U B2779 41.577 -9.240 58.578 1.00 0.00 C ATOM 59681 O4* U B2779 41.739 -7.906 58.020 1.00 0.00 O ATOM 59682 C3* U B2779 42.616 -10.078 57.827 1.00 0.00 C ATOM 59683 O3* U B2779 42.540 -11.596 58.087 1.00 0.00 O ATOM 59684 C2* U B2779 42.581 -9.460 56.437 1.00 0.00 C ATOM 59685 O2* U B2779 41.430 -9.887 55.724 1.00 0.00 O ATOM 59686 C1* U B2779 42.378 -7.981 56.756 1.00 0.00 C ATOM 59687 N1 U B2779 43.813 -7.067 56.827 1.00 0.00 N ATOM 59688 C2 U B2779 44.634 -7.103 55.723 1.00 0.00 C ATOM 59689 O2 U B2779 44.409 -7.816 54.759 1.00 0.00 O ATOM 59690 N3 U B2779 45.736 -6.275 55.774 1.00 0.00 N ATOM 59691 C4 U B2779 46.078 -5.429 56.811 1.00 0.00 C ATOM 59692 O4 U B2779 47.089 -4.737 56.742 1.00 0.00 O ATOM 59693 C5 U B2779 45.157 -5.464 57.920 1.00 0.00 C ATOM 59694 C6 U B2779 44.080 -6.260 57.901 1.00 0.00 C ATOM 59695 P G B2780 41.900 -12.744 56.818 1.00 0.00 P ATOM 59696 O1P G B2780 40.718 -12.248 56.080 1.00 0.00 O ATOM 59697 O2P G B2780 41.789 -14.108 57.376 1.00 0.00 O ATOM 59698 O5* G B2780 43.413 -12.516 55.830 1.00 0.00 O ATOM 59699 C5* G B2780 44.270 -13.645 55.670 1.00 0.00 C ATOM 59700 C4* G B2780 44.771 -13.945 54.197 1.00 0.00 C ATOM 59701 O4* G B2780 43.920 -14.368 53.092 1.00 0.00 O ATOM 59702 C3* G B2780 46.012 -13.373 53.515 1.00 0.00 C ATOM 59703 O3* G B2780 47.149 -13.604 54.583 1.00 0.00 O ATOM 59704 C2* G B2780 46.163 -14.293 52.306 1.00 0.00 C ATOM 59705 O2* G B2780 46.706 -15.544 52.695 1.00 0.00 O ATOM 59706 C1* G B2780 44.707 -14.542 51.923 1.00 0.00 C ATOM 59707 N9 G B2780 44.098 -13.498 50.702 1.00 0.00 N ATOM 59708 C8 G B2780 44.701 -13.082 49.534 1.00 0.00 C ATOM 59709 N7 G B2780 43.909 -12.408 48.736 1.00 0.00 N ATOM 59710 C5 G B2780 42.696 -12.371 49.427 1.00 0.00 C ATOM 59711 C6 G B2780 41.458 -11.774 49.067 1.00 0.00 C ATOM 59712 O6 G B2780 41.173 -11.152 48.050 1.00 0.00 O ATOM 59713 N1 G B2780 40.493 -11.971 50.058 1.00 0.00 N ATOM 59714 C2 G B2780 40.692 -12.651 51.244 1.00 0.00 C ATOM 59715 N2 G B2780 39.636 -12.733 52.064 1.00 0.00 N ATOM 59716 N3 G B2780 41.851 -13.211 51.578 1.00 0.00 N ATOM 59717 C4 G B2780 42.802 -13.026 50.626 1.00 0.00 C ATOM 59718 P A B2781 48.730 -12.709 54.890 1.00 0.00 P ATOM 59719 O1P A B2781 49.290 -11.594 54.096 1.00 0.00 O ATOM 59720 O2P A B2781 49.658 -13.823 55.183 1.00 0.00 O ATOM 59721 O5* A B2781 48.111 -12.146 56.254 1.00 0.00 O ATOM 59722 C5* A B2781 47.893 -10.730 56.392 1.00 0.00 C ATOM 59723 C4* A B2781 47.193 -10.436 57.700 1.00 0.00 C ATOM 59724 O4* A B2781 45.840 -10.972 57.640 1.00 0.00 O ATOM 59725 C3* A B2781 47.795 -11.098 58.941 1.00 0.00 C ATOM 59726 O3* A B2781 48.848 -10.346 59.459 1.00 0.00 O ATOM 59727 C2* A B2781 46.596 -11.157 59.885 1.00 0.00 C ATOM 59728 O2* A B2781 46.332 -9.882 60.446 1.00 0.00 O ATOM 59729 C1* A B2781 45.458 -11.461 58.917 1.00 0.00 C ATOM 59730 N9 A B2781 45.155 -12.913 58.784 1.00 0.00 N ATOM 59731 C8 A B2781 45.443 -13.768 57.743 1.00 0.00 C ATOM 59732 N7 A B2781 45.042 -14.985 57.933 1.00 0.00 N ATOM 59733 C5 A B2781 44.444 -14.949 59.187 1.00 0.00 C ATOM 59734 C6 A B2781 43.822 -15.935 59.968 1.00 0.00 C ATOM 59735 N6 A B2781 43.685 -17.210 59.579 1.00 0.00 N ATOM 59736 N1 A B2781 43.337 -15.560 61.168 1.00 0.00 N ATOM 59737 C2 A B2781 43.474 -14.292 61.548 1.00 0.00 C ATOM 59738 N3 A B2781 44.035 -13.288 60.908 1.00 0.00 N ATOM 59739 C4 A B2781 44.508 -13.689 59.711 1.00 0.00 C ATOM 59740 P G B2782 50.100 -11.130 60.156 1.00 0.00 P ATOM 59741 O1P G B2782 51.257 -10.217 60.304 1.00 0.00 O ATOM 59742 O2P G B2782 50.362 -12.390 59.425 1.00 0.00 O ATOM 59743 O5* G B2782 49.485 -11.460 61.598 1.00 0.00 O ATOM 59744 C5* G B2782 49.071 -10.372 62.444 1.00 0.00 C ATOM 59745 C4* G B2782 48.408 -10.911 63.695 1.00 0.00 C ATOM 59746 O4* G B2782 47.145 -11.538 63.324 1.00 0.00 O ATOM 59747 C3* G B2782 49.168 -12.017 64.427 1.00 0.00 C ATOM 59748 O3* G B2782 50.129 -11.491 65.289 1.00 0.00 O ATOM 59749 C2* G B2782 48.045 -12.740 65.167 1.00 0.00 C ATOM 59750 O2* G B2782 47.631 -11.998 66.300 1.00 0.00 O ATOM 59751 C1* G B2782 46.910 -12.666 64.150 1.00 0.00 C ATOM 59752 N9 G B2782 46.815 -13.867 63.271 1.00 0.00 N ATOM 59753 C8 G B2782 47.166 -14.004 61.947 1.00 0.00 C ATOM 59754 N7 G B2782 46.954 -15.205 61.462 1.00 0.00 N ATOM 59755 C5 G B2782 46.428 -15.911 62.542 1.00 0.00 C ATOM 59756 C6 G B2782 46.003 -17.262 62.631 1.00 0.00 C ATOM 59757 O6 G B2782 46.005 -18.128 61.760 1.00 0.00 O ATOM 59758 N1 G B2782 45.535 -17.568 63.916 1.00 0.00 N ATOM 59759 C2 G B2782 45.483 -16.683 64.977 1.00 0.00 C ATOM 59760 N2 G B2782 45.005 -17.172 66.122 1.00 0.00 N ATOM 59761 N3 G B2782 45.883 -15.418 64.894 1.00 0.00 N ATOM 59762 C4 G B2782 46.340 -15.103 63.650 1.00 0.00 C ATOM 59763 P U B2783 51.518 -12.322 65.513 1.00 0.00 P ATOM 59764 O1P U B2783 52.534 -11.452 66.146 1.00 0.00 O ATOM 59765 O2P U B2783 51.919 -12.960 64.239 1.00 0.00 O ATOM 59766 O5* U B2783 51.034 -13.439 66.553 1.00 0.00 O ATOM 59767 C5* U B2783 50.517 -13.027 67.829 1.00 0.00 C ATOM 59768 C4* U B2783 50.009 -14.230 68.597 1.00 0.00 C ATOM 59769 O4* U B2783 48.835 -14.759 67.918 1.00 0.00 O ATOM 59770 C3* U B2783 50.961 -15.424 68.669 1.00 0.00 C ATOM 59771 O3* U B2783 51.882 -15.284 69.704 1.00 0.00 O ATOM 59772 C2* U B2783 49.998 -16.589 68.890 1.00 0.00 C ATOM 59773 O2* U B2783 49.544 -16.616 70.233 1.00 0.00 O ATOM 59774 C1* U B2783 48.810 -16.175 68.029 1.00 0.00 C ATOM 59775 N1 U B2783 48.842 -16.742 66.652 1.00 0.00 N ATOM 59776 C2 U B2783 48.542 -18.077 66.518 1.00 0.00 C ATOM 59777 O2 U B2783 48.263 -18.791 67.466 1.00 0.00 O ATOM 59778 N3 U B2783 48.581 -18.567 65.228 1.00 0.00 N ATOM 59779 C4 U B2783 48.889 -17.853 64.089 1.00 0.00 C ATOM 59780 O4 U B2783 48.893 -18.402 62.983 1.00 0.00 O ATOM 59781 C5 U B2783 49.191 -16.462 64.329 1.00 0.00 C ATOM 59782 C6 U B2783 49.158 -15.956 65.576 1.00 0.00 C ATOM 59783 P U B2784 53.388 -15.883 69.503 1.00 0.00 P ATOM 59784 O1P U B2784 54.303 -15.327 70.524 1.00 0.00 O ATOM 59785 O2P U B2784 53.807 -15.702 68.096 1.00 0.00 O ATOM 59786 O5* U B2784 53.133 -17.436 69.796 1.00 0.00 O ATOM 59787 C5* U B2784 52.631 -17.834 71.085 1.00 0.00 C ATOM 59788 C4* U B2784 52.346 -19.320 71.098 1.00 0.00 C ATOM 59789 O4* U B2784 51.225 -19.594 70.210 1.00 0.00 O ATOM 59790 C3* U B2784 53.464 -20.216 70.564 1.00 0.00 C ATOM 59791 O3* U B2784 54.412 -20.495 71.548 1.00 0.00 O ATOM 59792 C2* U B2784 52.697 -21.458 70.122 1.00 0.00 C ATOM 59793 O2* U B2784 52.324 -22.247 71.238 1.00 0.00 O ATOM 59794 C1* U B2784 51.414 -20.844 69.568 1.00 0.00 C ATOM 59795 N1 U B2784 51.452 -20.602 68.097 1.00 0.00 N ATOM 59796 C2 U B2784 51.343 -21.702 67.281 1.00 0.00 C ATOM 59797 O2 U B2784 51.220 -22.837 67.709 1.00 0.00 O ATOM 59798 N3 U B2784 51.382 -21.440 65.927 1.00 0.00 N ATOM 59799 C4 U B2784 51.517 -20.201 65.334 1.00 0.00 C ATOM 59800 O4 U B2784 51.540 -20.091 64.106 1.00 0.00 O ATOM 59801 C5 U B2784 51.626 -19.111 66.272 1.00 0.00 C ATOM 59802 C6 U B2784 51.590 -19.336 67.596 1.00 0.00 C ATOM 59803 P C B2785 55.976 -20.665 71.108 1.00 0.00 P ATOM 59804 O1P C B2785 56.854 -20.584 72.296 1.00 0.00 O ATOM 59805 O2P C B2785 56.284 -19.719 70.014 1.00 0.00 O ATOM 59806 O5* C B2785 55.964 -22.162 70.542 1.00 0.00 O ATOM 59807 C5* C B2785 55.598 -23.239 71.423 1.00 0.00 C ATOM 59808 C4* C B2785 55.535 -24.543 70.651 1.00 0.00 C ATOM 59809 O4* C B2785 54.417 -24.484 69.720 1.00 0.00 O ATOM 59810 C3* C B2785 56.740 -24.847 69.761 1.00 0.00 C ATOM 59811 O3* C B2785 57.768 -25.448 70.482 1.00 0.00 O ATOM 59812 C2* C B2785 56.135 -25.780 68.715 1.00 0.00 C ATOM 59813 O2* C B2785 55.946 -27.081 69.246 1.00 0.00 O ATOM 59814 C1* C B2785 54.749 -25.173 68.523 1.00 0.00 C ATOM 59815 N1 C B2785 54.669 -24.204 67.396 1.00 0.00 N ATOM 59816 C2 C B2785 54.676 -24.712 66.103 1.00 0.00 C ATOM 59817 O2 C B2785 54.746 -25.935 65.941 1.00 0.00 O ATOM 59818 N3 C B2785 54.605 -23.843 65.060 1.00 0.00 N ATOM 59819 C4 C B2785 54.530 -22.524 65.274 1.00 0.00 C ATOM 59820 N4 C B2785 54.464 -21.718 64.223 1.00 0.00 N ATOM 59821 C5 C B2785 54.521 -21.980 66.599 1.00 0.00 C ATOM 59822 C6 C B2785 54.593 -22.862 67.625 1.00 0.00 C ATOM 59823 P U B2786 59.314 -25.123 70.063 1.00 0.00 P ATOM 59824 O1P U B2786 60.236 -25.537 71.143 1.00 0.00 O ATOM 59825 O2P U B2786 59.421 -23.711 69.631 1.00 0.00 O ATOM 59826 O5* U B2786 59.490 -26.089 68.801 1.00 0.00 O ATOM 59827 C5* U B2786 59.334 -27.511 68.981 1.00 0.00 C ATOM 59828 C4* U B2786 59.417 -28.215 67.643 1.00 0.00 C ATOM 59829 O4* U B2786 58.255 -27.854 66.845 1.00 0.00 O ATOM 59830 C3* U B2786 60.604 -27.827 66.759 1.00 0.00 C ATOM 59831 O3* U B2786 61.749 -28.549 67.092 1.00 0.00 O ATOM 59832 C2* U B2786 60.084 -28.162 65.364 1.00 0.00 C ATOM 59833 O2* U B2786 60.114 -29.560 65.135 1.00 0.00 O ATOM 59834 C1* U B2786 58.615 -27.763 65.477 1.00 0.00 C ATOM 59835 N1 U B2786 58.335 -26.376 65.018 1.00 0.00 N ATOM 59836 C2 U B2786 58.346 -26.148 63.661 1.00 0.00 C ATOM 59837 O2 U B2786 58.572 -27.026 62.847 1.00 0.00 O ATOM 59838 N3 U B2786 58.081 -24.851 63.272 1.00 0.00 N ATOM 59839 C4 U B2786 57.811 -23.786 64.107 1.00 0.00 C ATOM 59840 O4 U B2786 57.588 -22.665 63.643 1.00 0.00 O ATOM 59841 C5 U B2786 57.822 -24.119 65.511 1.00 0.00 C ATOM 59842 C6 U B2786 58.077 -25.375 65.916 1.00 0.00 C ATOM 59843 P C B2787 63.203 -27.821 66.947 1.00 0.00 P ATOM 59844 O1P C B2787 64.234 -28.590 67.680 1.00 0.00 O ATOM 59845 O2P C B2787 63.079 -26.394 67.317 1.00 0.00 O ATOM 59846 O5* C B2787 63.448 -27.954 65.370 1.00 0.00 O ATOM 59847 C5* C B2787 63.508 -29.265 64.783 1.00 0.00 C ATOM 59848 C4* C B2787 63.621 -29.154 63.275 1.00 0.00 C ATOM 59849 O4* C B2787 62.371 -28.613 62.749 1.00 0.00 O ATOM 59850 C3* C B2787 64.685 -28.185 62.755 1.00 0.00 C ATOM 59851 O3* C B2787 65.940 -28.790 62.700 1.00 0.00 O ATOM 59852 C2* C B2787 64.144 -27.825 61.374 1.00 0.00 C ATOM 59853 O2* C B2787 64.364 -28.877 60.454 1.00 0.00 O ATOM 59854 C1* C B2787 62.642 -27.772 61.638 1.00 0.00 C ATOM 59855 N1 C B2787 62.135 -26.408 61.961 1.00 0.00 N ATOM 59856 C2 C B2787 62.034 -25.491 60.918 1.00 0.00 C ATOM 59857 O2 C B2787 62.363 -25.843 59.780 1.00 0.00 O ATOM 59858 N3 C B2787 61.575 -24.242 61.192 1.00 0.00 N ATOM 59859 C4 C B2787 61.228 -23.901 62.439 1.00 0.00 C ATOM 59860 N4 C B2787 60.789 -22.671 62.653 1.00 0.00 N ATOM 59861 C5 C B2787 61.326 -24.830 63.525 1.00 0.00 C ATOM 59862 C6 C B2787 61.788 -26.070 63.231 1.00 0.00 C ATOM 59863 P C B2788 67.265 -27.880 62.995 1.00 0.00 P ATOM 59864 O1P C B2788 68.436 -28.751 63.248 1.00 0.00 O ATOM 59865 O2P C B2788 66.955 -26.891 64.048 1.00 0.00 O ATOM 59866 O5* C B2788 67.437 -27.138 61.587 1.00 0.00 O ATOM 59867 C5* C B2788 67.656 -27.926 60.403 1.00 0.00 C ATOM 59868 C4* C B2788 67.666 -27.033 59.180 1.00 0.00 C ATOM 59869 O4* C B2788 66.326 -26.499 58.976 1.00 0.00 O ATOM 59870 C3* C B2788 68.550 -25.788 59.270 1.00 0.00 C ATOM 59871 O3* C B2788 69.872 -26.076 58.942 1.00 0.00 O ATOM 59872 C2* C B2788 67.885 -24.851 58.266 1.00 0.00 C ATOM 59873 O2* C B2788 68.205 -25.224 56.937 1.00 0.00 O ATOM 59874 C1* C B2788 66.408 -25.174 58.474 1.00 0.00 C ATOM 59875 N1 C B2788 65.728 -24.272 59.445 1.00 0.00 N ATOM 59876 C2 C B2788 65.436 -22.975 59.029 1.00 0.00 C ATOM 59877 O2 C B2788 65.748 -22.628 57.885 1.00 0.00 O ATOM 59878 N3 C B2788 64.816 -22.136 59.899 1.00 0.00 N ATOM 59879 C4 C B2788 64.496 -22.549 61.132 1.00 0.00 C ATOM 59880 N4 C B2788 63.891 -21.690 61.942 1.00 0.00 N ATOM 59881 C5 C B2788 64.787 -23.877 61.578 1.00 0.00 C ATOM 59882 C6 C B2788 65.407 -24.699 60.695 1.00 0.00 C ATOM 59883 P C B2789 70.420 -27.422 57.772 1.00 0.00 P ATOM 59884 O1P C B2789 70.743 -26.834 56.448 1.00 0.00 O ATOM 59885 O2P C B2789 69.484 -28.568 57.756 1.00 0.00 O ATOM 59886 O5* C B2789 71.978 -27.911 58.632 1.00 0.00 O ATOM 59887 C5* C B2789 73.065 -28.665 58.007 1.00 0.00 C ATOM 59888 C4* C B2789 73.961 -29.628 58.953 1.00 0.00 C ATOM 59889 O4* C B2789 73.344 -30.607 59.838 1.00 0.00 O ATOM 59890 C3* C B2789 75.315 -30.247 58.605 1.00 0.00 C ATOM 59891 O3* C B2789 76.382 -29.548 57.786 1.00 0.00 O ATOM 59892 C2* C B2789 75.697 -30.936 59.912 1.00 0.00 C ATOM 59893 O2* C B2789 76.153 -29.993 60.867 1.00 0.00 O ATOM 59894 C1* C B2789 74.345 -31.444 60.400 1.00 0.00 C ATOM 59895 N1 C B2789 73.997 -33.055 59.974 1.00 0.00 N ATOM 59896 C2 C B2789 74.997 -34.005 60.166 1.00 0.00 C ATOM 59897 O2 C B2789 76.081 -33.642 60.627 1.00 0.00 O ATOM 59898 N3 C B2789 74.734 -35.295 59.839 1.00 0.00 N ATOM 59899 C4 C B2789 73.541 -35.647 59.339 1.00 0.00 C ATOM 59900 N4 C B2789 73.336 -36.920 59.037 1.00 0.00 N ATOM 59901 C5 C B2789 72.501 -34.680 59.139 1.00 0.00 C ATOM 59902 C6 C B2789 72.780 -33.400 59.471 1.00 0.00 C ATOM 59903 P U B2790 77.225 -30.704 56.637 1.00 0.00 P ATOM 59904 O1P U B2790 77.857 -29.975 55.512 1.00 0.00 O ATOM 59905 O2P U B2790 76.348 -31.833 56.262 1.00 0.00 O ATOM 59906 O5* U B2790 78.457 -31.209 57.889 1.00 0.00 O ATOM 59907 C5* U B2790 79.676 -31.925 58.211 1.00 0.00 C ATOM 59908 C4* U B2790 80.436 -32.494 56.880 1.00 0.00 C ATOM 59909 O4* U B2790 80.161 -31.701 55.690 1.00 0.00 O ATOM 59910 C3* U B2790 81.925 -32.813 56.778 1.00 0.00 C ATOM 59911 O3* U B2790 82.417 -33.998 57.653 1.00 0.00 O ATOM 59912 C2* U B2790 82.112 -32.993 55.274 1.00 0.00 C ATOM 59913 O2* U B2790 81.612 -34.248 54.851 1.00 0.00 O ATOM 59914 C1* U B2790 81.171 -31.927 54.717 1.00 0.00 C ATOM 59915 N1 U B2790 81.913 -30.444 54.363 1.00 0.00 N ATOM 59916 C2 U B2790 82.711 -30.396 53.244 1.00 0.00 C ATOM 59917 O2 U B2790 82.957 -31.373 52.564 1.00 0.00 O ATOM 59918 N3 U B2790 83.219 -29.149 52.933 1.00 0.00 N ATOM 59919 C4 U B2790 83.005 -27.979 53.629 1.00 0.00 C ATOM 59920 O4 U B2790 83.512 -26.919 53.253 1.00 0.00 O ATOM 59921 C5 U B2790 82.157 -28.131 54.787 1.00 0.00 C ATOM 59922 C6 U B2790 81.647 -29.330 55.114 1.00 0.00 C ATOM 59923 P G B2791 84.220 -34.167 57.946 1.00 0.00 P ATOM 59924 O1P G B2791 84.824 -32.817 57.991 1.00 0.00 O ATOM 59925 O2P G B2791 84.915 -35.155 57.089 1.00 0.00 O ATOM 59926 O5* G B2791 84.077 -34.745 59.432 1.00 0.00 O ATOM 59927 C5* G B2791 83.228 -34.056 60.370 1.00 0.00 C ATOM 59928 C4* G B2791 83.145 -34.839 61.663 1.00 0.00 C ATOM 59929 O4* G B2791 82.419 -36.078 61.417 1.00 0.00 O ATOM 59930 C3* G B2791 84.477 -35.303 62.252 1.00 0.00 C ATOM 59931 O3* G B2791 85.074 -34.304 63.019 1.00 0.00 O ATOM 59932 C2* G B2791 84.057 -36.513 63.085 1.00 0.00 C ATOM 59933 O2* G B2791 83.438 -36.100 64.294 1.00 0.00 O ATOM 59934 C1* G B2791 82.964 -37.120 62.212 1.00 0.00 C ATOM 59935 N9 G B2791 83.455 -38.189 61.298 1.00 0.00 N ATOM 59936 C8 G B2791 83.658 -38.143 59.935 1.00 0.00 C ATOM 59937 N7 G B2791 84.101 -39.267 59.423 1.00 0.00 N ATOM 59938 C5 G B2791 84.201 -40.117 60.526 1.00 0.00 C ATOM 59939 C6 G B2791 84.628 -41.468 60.605 1.00 0.00 C ATOM 59940 O6 G B2791 85.009 -42.210 59.700 1.00 0.00 O ATOM 59941 N1 G B2791 84.571 -41.947 61.920 1.00 0.00 N ATOM 59942 C2 G B2791 84.161 -41.217 63.018 1.00 0.00 C ATOM 59943 N2 G B2791 84.182 -41.856 64.190 1.00 0.00 N ATOM 59944 N3 G B2791 83.764 -39.948 62.945 1.00 0.00 N ATOM 59945 C4 G B2791 83.810 -39.468 61.674 1.00 0.00 C ATOM 59946 P A B2792 86.703 -34.196 63.042 1.00 0.00 P ATOM 59947 O1P A B2792 87.122 -32.888 63.591 1.00 0.00 O ATOM 59948 O2P A B2792 87.235 -34.535 61.703 1.00 0.00 O ATOM 59949 O5* A B2792 87.065 -35.359 64.079 1.00 0.00 O ATOM 59950 C5* A B2792 86.565 -35.275 65.427 1.00 0.00 C ATOM 59951 C4* A B2792 86.919 -36.533 66.193 1.00 0.00 C ATOM 59952 O4* A B2792 86.174 -37.652 65.634 1.00 0.00 O ATOM 59953 C3* A B2792 88.379 -36.981 66.097 1.00 0.00 C ATOM 59954 O3* A B2792 89.179 -36.314 67.024 1.00 0.00 O ATOM 59955 C2* A B2792 88.276 -38.477 66.378 1.00 0.00 C ATOM 59956 O2* A B2792 88.083 -38.718 67.762 1.00 0.00 O ATOM 59957 C1* A B2792 86.964 -38.830 65.680 1.00 0.00 C ATOM 59958 N9 A B2792 87.143 -39.320 64.282 1.00 0.00 N ATOM 59959 C8 A B2792 86.885 -38.673 63.098 1.00 0.00 C ATOM 59960 N7 A B2792 87.150 -39.379 62.043 1.00 0.00 N ATOM 59961 C5 A B2792 87.617 -40.581 62.554 1.00 0.00 C ATOM 59962 C6 A B2792 88.070 -41.760 61.939 1.00 0.00 C ATOM 59963 N6 A B2792 88.122 -41.927 60.611 1.00 0.00 N ATOM 59964 N1 A B2792 88.464 -42.766 62.742 1.00 0.00 N ATOM 59965 C2 A B2792 88.408 -42.594 64.060 1.00 0.00 C ATOM 59966 N3 A B2792 88.006 -41.544 64.745 1.00 0.00 N ATOM 59967 C4 A B2792 87.619 -40.553 63.917 1.00 0.00 C ATOM 59968 P C B2793 90.723 -35.967 66.623 1.00 0.00 P ATOM 59969 O1P C B2793 91.280 -34.961 67.555 1.00 0.00 O ATOM 59970 O2P C B2793 90.791 -35.619 65.185 1.00 0.00 O ATOM 59971 O5* C B2793 91.424 -37.383 66.871 1.00 0.00 O ATOM 59972 C5* C B2793 91.393 -37.954 68.193 1.00 0.00 C ATOM 59973 C4* C B2793 92.002 -39.342 68.171 1.00 0.00 C ATOM 59974 O4* C B2793 91.129 -40.226 67.410 1.00 0.00 O ATOM 59975 C3* C B2793 93.354 -39.467 67.470 1.00 0.00 C ATOM 59976 O3* C B2793 94.403 -39.132 68.325 1.00 0.00 O ATOM 59977 C2* C B2793 93.370 -40.938 67.064 1.00 0.00 C ATOM 59978 O2* C B2793 93.648 -41.764 68.181 1.00 0.00 O ATOM 59979 C1* C B2793 91.910 -41.170 66.692 1.00 0.00 C ATOM 59980 N1 C B2793 91.628 -40.993 65.241 1.00 0.00 N ATOM 59981 C2 C B2793 92.055 -41.989 64.369 1.00 0.00 C ATOM 59982 O2 C B2793 92.649 -42.969 64.832 1.00 0.00 O ATOM 59983 N3 C B2793 91.806 -41.846 63.042 1.00 0.00 N ATOM 59984 C4 C B2793 91.162 -40.767 62.580 1.00 0.00 C ATOM 59985 N4 C B2793 90.944 -40.677 61.276 1.00 0.00 N ATOM 59986 C5 C B2793 90.712 -39.734 63.459 1.00 0.00 C ATOM 59987 C6 C B2793 90.970 -39.893 64.784 1.00 0.00 C ATOM 59988 P C B2794 95.725 -38.406 67.698 1.00 0.00 P ATOM 59989 O1P C B2794 96.542 -37.810 68.778 1.00 0.00 O ATOM 59990 O2P C B2794 95.311 -37.479 66.618 1.00 0.00 O ATOM 59991 O5* C B2794 96.490 -39.663 67.068 1.00 0.00 O ATOM 59992 C5* C B2794 96.905 -40.733 67.937 1.00 0.00 C ATOM 59993 C4* C B2794 97.493 -41.867 67.122 1.00 0.00 C ATOM 59994 O4* C B2794 96.435 -42.476 66.330 1.00 0.00 O ATOM 59995 C3* C B2794 98.544 -41.463 66.083 1.00 0.00 C ATOM 59996 O3* C B2794 99.810 -41.354 66.652 1.00 0.00 O ATOM 59997 C2* C B2794 98.446 -42.604 65.073 1.00 0.00 C ATOM 59998 O2* C B2794 99.087 -43.769 65.565 1.00 0.00 O ATOM 59999 C1* C B2794 96.945 -42.892 65.072 1.00 0.00 C ATOM 60000 N1 C B2794 96.200 -42.168 64.007 1.00 0.00 N ATOM 60001 C2 C B2794 96.333 -42.620 62.699 1.00 0.00 C ATOM 60002 O2 C B2794 97.060 -43.597 62.477 1.00 0.00 O ATOM 60003 N3 C B2794 95.660 -41.975 61.712 1.00 0.00 N ATOM 60004 C4 C B2794 94.880 -40.922 61.993 1.00 0.00 C ATOM 60005 N4 C B2794 94.244 -40.328 60.995 1.00 0.00 N ATOM 60006 C5 C B2794 94.730 -40.439 63.333 1.00 0.00 C ATOM 60007 C6 C B2794 95.411 -41.099 64.303 1.00 0.00 C ATOM 60008 P C B2795 100.837 -40.229 66.070 1.00 0.00 P ATOM 60009 O1P C B2795 101.958 -40.021 67.016 1.00 0.00 O ATOM 60010 O2P C B2795 100.078 -39.017 65.692 1.00 0.00 O ATOM 60011 O5* C B2795 101.374 -40.964 64.752 1.00 0.00 O ATOM 60012 C5* C B2795 102.066 -42.220 64.885 1.00 0.00 C ATOM 60013 C4* C B2795 102.368 -42.793 63.517 1.00 0.00 C ATOM 60014 O4* C B2795 101.116 -43.176 62.879 1.00 0.00 O ATOM 60015 C3* C B2795 103.013 -41.829 62.518 1.00 0.00 C ATOM 60016 O3* C B2795 104.392 -41.769 62.683 1.00 0.00 O ATOM 60017 C2* C B2795 102.605 -42.438 61.180 1.00 0.00 C ATOM 60018 O2* C B2795 103.391 -43.581 60.886 1.00 0.00 O ATOM 60019 C1* C B2795 101.196 -42.936 61.481 1.00 0.00 C ATOM 60020 N1 C B2795 100.127 -41.963 61.120 1.00 0.00 N ATOM 60021 C2 C B2795 99.830 -41.793 59.769 1.00 0.00 C ATOM 60022 O2 C B2795 100.458 -42.455 58.937 1.00 0.00 O ATOM 60023 N3 C B2795 98.859 -40.912 59.423 1.00 0.00 N ATOM 60024 C4 C B2795 98.200 -40.215 60.358 1.00 0.00 C ATOM 60025 N4 C B2795 97.263 -39.368 59.965 1.00 0.00 N ATOM 60026 C5 C B2795 98.493 -40.371 61.750 1.00 0.00 C ATOM 60027 C6 C B2795 99.466 -41.258 62.079 1.00 0.00 C ATOM 60028 P U B2796 105.156 -40.353 62.401 1.00 0.00 P ATOM 60029 O1P U B2796 106.520 -40.385 62.975 1.00 0.00 O ATOM 60030 O2P U B2796 104.297 -39.232 62.849 1.00 0.00 O ATOM 60031 O5* U B2796 105.237 -40.370 60.803 1.00 0.00 O ATOM 60032 C5* U B2796 105.956 -41.435 60.153 1.00 0.00 C ATOM 60033 C4* U B2796 105.801 -41.321 58.648 1.00 0.00 C ATOM 60034 O4* U B2796 104.413 -41.597 58.298 1.00 0.00 O ATOM 60035 C3* U B2796 106.065 -39.939 58.054 1.00 0.00 C ATOM 60036 O3* U B2796 107.422 -39.732 57.824 1.00 0.00 O ATOM 60037 C2* U B2796 105.248 -39.984 56.764 1.00 0.00 C ATOM 60038 O2* U B2796 105.913 -40.755 55.777 1.00 0.00 O ATOM 60039 C1* U B2796 104.025 -40.781 57.202 1.00 0.00 C ATOM 60040 N1 U B2796 102.882 -39.933 57.642 1.00 0.00 N ATOM 60041 C2 U B2796 102.173 -39.280 56.664 1.00 0.00 C ATOM 60042 O2 U B2796 102.443 -39.370 55.477 1.00 0.00 O ATOM 60043 N3 U B2796 101.123 -38.503 57.110 1.00 0.00 N ATOM 60044 C4 U B2796 100.734 -38.328 58.422 1.00 0.00 C ATOM 60045 O4 U B2796 99.773 -37.606 58.700 1.00 0.00 O ATOM 60046 C5 U B2796 101.536 -39.053 59.378 1.00 0.00 C ATOM 60047 C6 U B2796 102.564 -39.816 58.971 1.00 0.00 C ATOM 60048 P U B2797 108.283 -39.403 56.244 1.00 0.00 P ATOM 60049 O1P U B2797 108.367 -40.610 55.392 1.00 0.00 O ATOM 60050 O2P U B2797 109.555 -38.675 56.455 1.00 0.00 O ATOM 60051 O5* U B2797 106.947 -38.277 55.788 1.00 0.00 O ATOM 60052 C5* U B2797 106.573 -36.922 56.036 1.00 0.00 C ATOM 60053 C4* U B2797 106.595 -36.087 54.648 1.00 0.00 C ATOM 60054 O4* U B2797 107.831 -36.107 53.882 1.00 0.00 O ATOM 60055 C3* U B2797 105.504 -36.290 53.599 1.00 0.00 C ATOM 60056 O3* U B2797 104.071 -36.059 54.076 1.00 0.00 O ATOM 60057 C2* U B2797 106.067 -35.521 52.405 1.00 0.00 C ATOM 60058 O2* U B2797 105.904 -34.124 52.587 1.00 0.00 O ATOM 60059 C1* U B2797 107.557 -35.817 52.522 1.00 0.00 C ATOM 60060 N1 U B2797 108.097 -37.125 51.577 1.00 0.00 N ATOM 60061 C2 U B2797 108.329 -36.879 50.247 1.00 0.00 C ATOM 60062 O2 U B2797 108.141 -35.789 49.730 1.00 0.00 O ATOM 60063 N3 U B2797 108.798 -37.953 49.517 1.00 0.00 N ATOM 60064 C4 U B2797 109.042 -39.224 49.997 1.00 0.00 C ATOM 60065 O4 U B2797 109.464 -40.109 49.244 1.00 0.00 O ATOM 60066 C5 U B2797 108.770 -39.382 51.407 1.00 0.00 C ATOM 60067 C6 U B2797 108.317 -38.357 52.140 1.00 0.00 C ATOM 60068 P U B2798 102.761 -36.199 52.813 1.00 0.00 P ATOM 60069 O1P U B2798 102.183 -37.558 52.733 1.00 0.00 O ATOM 60070 O2P U B2798 103.176 -35.591 51.528 1.00 0.00 O ATOM 60071 O5* U B2798 101.732 -35.057 53.788 1.00 0.00 O ATOM 60072 C5* U B2798 101.198 -33.815 54.285 1.00 0.00 C ATOM 60073 C4* U B2798 100.739 -32.798 53.093 1.00 0.00 C ATOM 60074 O4* U B2798 101.512 -32.948 51.871 1.00 0.00 O ATOM 60075 C3* U B2798 99.295 -32.672 52.605 1.00 0.00 C ATOM 60076 O3* U B2798 98.162 -32.123 53.507 1.00 0.00 O ATOM 60077 C2* U B2798 99.465 -31.883 51.311 1.00 0.00 C ATOM 60078 O2* U B2798 99.700 -30.514 51.583 1.00 0.00 O ATOM 60079 C1* U B2798 100.772 -32.456 50.767 1.00 0.00 C ATOM 60080 N1 U B2798 100.580 -33.718 49.649 1.00 0.00 N ATOM 60081 C2 U B2798 101.722 -34.357 49.224 1.00 0.00 C ATOM 60082 O2 U B2798 102.833 -34.074 49.646 1.00 0.00 O ATOM 60083 N3 U B2798 101.534 -35.341 48.279 1.00 0.00 N ATOM 60084 C4 U B2798 100.325 -35.737 47.737 1.00 0.00 C ATOM 60085 O4 U B2798 100.283 -36.638 46.896 1.00 0.00 O ATOM 60086 C5 U B2798 99.187 -35.011 48.245 1.00 0.00 C ATOM 60087 C6 U B2798 99.341 -34.046 49.167 1.00 0.00 C ATOM 60088 P A B2799 98.076 -32.270 55.332 1.00 0.00 P ATOM 60089 O1P A B2799 98.368 -31.002 56.034 1.00 0.00 O ATOM 60090 O2P A B2799 98.798 -33.465 55.828 1.00 0.00 O ATOM 60091 O5* A B2799 96.266 -32.532 55.224 1.00 0.00 O ATOM 60092 C5* A B2799 94.921 -32.506 54.665 1.00 0.00 C ATOM 60093 C4* A B2799 94.550 -31.038 54.009 1.00 0.00 C ATOM 60094 O4* A B2799 95.355 -30.020 54.668 1.00 0.00 O ATOM 60095 C3* A B2799 94.762 -30.767 52.518 1.00 0.00 C ATOM 60096 O3* A B2799 93.767 -31.351 51.457 1.00 0.00 O ATOM 60097 C2* A B2799 94.849 -29.246 52.476 1.00 0.00 C ATOM 60098 O2* A B2799 93.561 -28.665 52.602 1.00 0.00 O ATOM 60099 C1* A B2799 95.600 -28.945 53.774 1.00 0.00 C ATOM 60100 N9 A B2799 97.276 -28.770 53.597 1.00 0.00 N ATOM 60101 C8 A B2799 98.261 -29.708 53.813 1.00 0.00 C ATOM 60102 N7 A B2799 99.465 -29.229 53.787 1.00 0.00 N ATOM 60103 C5 A B2799 99.278 -27.877 53.534 1.00 0.00 C ATOM 60104 C6 A B2799 100.180 -26.808 53.384 1.00 0.00 C ATOM 60105 N6 A B2799 101.510 -26.944 53.470 1.00 0.00 N ATOM 60106 N1 A B2799 99.660 -25.591 53.138 1.00 0.00 N ATOM 60107 C2 A B2799 98.335 -25.463 53.048 1.00 0.00 C ATOM 60108 N3 A B2799 97.401 -26.381 53.172 1.00 0.00 N ATOM 60109 C4 A B2799 97.951 -27.590 53.413 1.00 0.00 C ATOM 60110 P A B2800 92.709 -32.819 51.771 1.00 0.00 P ATOM 60111 O1P A B2800 91.487 -32.915 50.944 1.00 0.00 O ATOM 60112 O2P A B2800 92.516 -32.995 53.227 1.00 0.00 O ATOM 60113 O5* A B2800 93.806 -33.858 51.241 1.00 0.00 O ATOM 60114 C5* A B2800 94.210 -33.801 49.861 1.00 0.00 C ATOM 60115 C4* A B2800 95.337 -34.782 49.612 1.00 0.00 C ATOM 60116 O4* A B2800 96.527 -34.329 50.325 1.00 0.00 O ATOM 60117 C3* A B2800 95.113 -36.202 50.137 1.00 0.00 C ATOM 60118 O3* A B2800 94.384 -36.973 49.233 1.00 0.00 O ATOM 60119 C2* A B2800 96.543 -36.706 50.317 1.00 0.00 C ATOM 60120 O2* A B2800 97.120 -37.044 49.067 1.00 0.00 O ATOM 60121 C1* A B2800 97.253 -35.448 50.806 1.00 0.00 C ATOM 60122 N9 A B2800 97.331 -35.342 52.290 1.00 0.00 N ATOM 60123 C8 A B2800 96.618 -34.524 53.139 1.00 0.00 C ATOM 60124 N7 A B2800 96.922 -34.673 54.394 1.00 0.00 N ATOM 60125 C5 A B2800 97.900 -35.657 54.387 1.00 0.00 C ATOM 60126 C6 A B2800 98.635 -36.270 55.414 1.00 0.00 C ATOM 60127 N6 A B2800 98.491 -35.965 56.711 1.00 0.00 N ATOM 60128 N1 A B2800 99.530 -37.211 55.060 1.00 0.00 N ATOM 60129 C2 A B2800 99.668 -37.511 53.770 1.00 0.00 C ATOM 60130 N3 A B2800 99.043 -37.009 52.728 1.00 0.00 N ATOM 60131 C4 A B2800 98.155 -36.070 53.111 1.00 0.00 C ATOM 60132 P G B2801 93.356 -38.100 49.814 1.00 0.00 P ATOM 60133 O1P G B2801 92.423 -38.539 48.754 1.00 0.00 O ATOM 60134 O2P G B2801 92.727 -37.598 51.058 1.00 0.00 O ATOM 60135 O5* G B2801 94.376 -39.281 50.163 1.00 0.00 O ATOM 60136 C5* G B2801 95.165 -39.859 49.110 1.00 0.00 C ATOM 60137 C4* G B2801 96.145 -40.863 49.683 1.00 0.00 C ATOM 60138 O4* G B2801 97.132 -40.155 50.484 1.00 0.00 O ATOM 60139 C3* G B2801 95.552 -41.892 50.647 1.00 0.00 C ATOM 60140 O3* G B2801 94.998 -42.974 49.968 1.00 0.00 O ATOM 60141 C2* G B2801 96.767 -42.281 51.485 1.00 0.00 C ATOM 60142 O2* G B2801 97.617 -43.154 50.758 1.00 0.00 O ATOM 60143 C1* G B2801 97.502 -40.949 51.603 1.00 0.00 C ATOM 60144 N9 G B2801 97.163 -40.187 52.838 1.00 0.00 N ATOM 60145 C8 G B2801 96.377 -39.064 52.980 1.00 0.00 C ATOM 60146 N7 G B2801 96.278 -38.636 54.218 1.00 0.00 N ATOM 60147 C5 G B2801 97.055 -39.540 54.943 1.00 0.00 C ATOM 60148 C6 G B2801 97.329 -39.596 56.334 1.00 0.00 C ATOM 60149 O6 G B2801 96.941 -38.847 57.226 1.00 0.00 O ATOM 60150 N1 G B2801 98.162 -40.681 56.648 1.00 0.00 N ATOM 60151 C2 G B2801 98.663 -41.590 55.737 1.00 0.00 C ATOM 60152 N2 G B2801 99.439 -42.554 56.237 1.00 0.00 N ATOM 60153 N3 G B2801 98.402 -41.538 54.432 1.00 0.00 N ATOM 60154 C4 G B2801 97.597 -40.488 54.111 1.00 0.00 C ATOM 60155 P G B2802 93.679 -43.704 50.596 1.00 0.00 P ATOM 60156 O1P G B2802 93.033 -44.561 49.576 1.00 0.00 O ATOM 60157 O2P G B2802 92.807 -42.687 51.227 1.00 0.00 O ATOM 60158 O5* G B2802 94.351 -44.617 51.725 1.00 0.00 O ATOM 60159 C5* G B2802 95.308 -45.617 51.334 1.00 0.00 C ATOM 60160 C4* G B2802 95.904 -46.274 52.564 1.00 0.00 C ATOM 60161 O4* G B2802 96.719 -45.295 53.269 1.00 0.00 O ATOM 60162 C3* G B2802 94.904 -46.749 53.617 1.00 0.00 C ATOM 60163 O3* G B2802 94.400 -48.013 53.315 1.00 0.00 O ATOM 60164 C2* G B2802 95.747 -46.737 54.889 1.00 0.00 C ATOM 60165 O2* G B2802 96.617 -47.856 54.921 1.00 0.00 O ATOM 60166 C1* G B2802 96.620 -45.506 54.671 1.00 0.00 C ATOM 60167 N9 G B2802 96.067 -44.267 55.283 1.00 0.00 N ATOM 60168 C8 G B2802 95.466 -43.184 54.673 1.00 0.00 C ATOM 60169 N7 G B2802 95.088 -42.247 55.505 1.00 0.00 N ATOM 60170 C5 G B2802 95.464 -42.739 56.756 1.00 0.00 C ATOM 60171 C6 G B2802 95.314 -42.167 58.043 1.00 0.00 C ATOM 60172 O6 G B2802 94.815 -41.091 58.356 1.00 0.00 O ATOM 60173 N1 G B2802 95.836 -43.005 59.037 1.00 0.00 N ATOM 60174 C2 G B2802 96.424 -44.236 58.817 1.00 0.00 C ATOM 60175 N2 G B2802 96.859 -44.884 59.900 1.00 0.00 N ATOM 60176 N3 G B2802 96.562 -44.771 57.606 1.00 0.00 N ATOM 60177 C4 G B2802 96.063 -43.970 56.628 1.00 0.00 C ATOM 60178 P G B2803 92.858 -48.362 53.719 1.00 0.00 P ATOM 60179 O1P G B2803 92.404 -49.575 53.003 1.00 0.00 O ATOM 60180 O2P G B2803 92.019 -47.158 53.536 1.00 0.00 O ATOM 60181 O5* G B2803 93.021 -48.681 55.278 1.00 0.00 O ATOM 60182 C5* G B2803 93.875 -49.765 55.684 1.00 0.00 C ATOM 60183 C4* G B2803 93.980 -49.804 57.195 1.00 0.00 C ATOM 60184 O4* G B2803 94.704 -48.628 57.649 1.00 0.00 O ATOM 60185 C3* G B2803 92.653 -49.739 57.956 1.00 0.00 C ATOM 60186 O3* G B2803 92.065 -50.996 58.066 1.00 0.00 O ATOM 60187 C2* G B2803 93.089 -49.172 59.306 1.00 0.00 C ATOM 60188 O2* G B2803 93.720 -50.168 60.092 1.00 0.00 O ATOM 60189 C1* G B2803 94.171 -48.182 58.889 1.00 0.00 C ATOM 60190 N9 G B2803 93.673 -46.790 58.704 1.00 0.00 N ATOM 60191 C8 G B2803 93.457 -46.093 57.537 1.00 0.00 C ATOM 60192 N7 G B2803 93.011 -44.873 57.720 1.00 0.00 N ATOM 60193 C5 G B2803 92.927 -44.757 59.105 1.00 0.00 C ATOM 60194 C6 G B2803 92.507 -43.663 59.909 1.00 0.00 C ATOM 60195 O6 G B2803 92.116 -42.553 59.554 1.00 0.00 O ATOM 60196 N1 G B2803 92.578 -43.974 61.274 1.00 0.00 N ATOM 60197 C2 G B2803 92.999 -45.180 61.796 1.00 0.00 C ATOM 60198 N2 G B2803 92.993 -45.275 63.127 1.00 0.00 N ATOM 60199 N3 G B2803 93.392 -46.203 61.044 1.00 0.00 N ATOM 60200 C4 G B2803 93.331 -45.921 59.716 1.00 0.00 C ATOM 60201 P U B2804 90.435 -51.103 58.046 1.00 0.00 P ATOM 60202 O1P U B2804 90.018 -52.502 57.804 1.00 0.00 O ATOM 60203 O2P U B2804 89.887 -50.097 57.111 1.00 0.00 O ATOM 60204 O5* U B2804 90.090 -50.687 59.553 1.00 0.00 O ATOM 60205 C5* U B2804 90.606 -51.487 60.633 1.00 0.00 C ATOM 60206 C4* U B2804 90.263 -50.845 61.962 1.00 0.00 C ATOM 60207 O4* U B2804 91.006 -49.600 62.089 1.00 0.00 O ATOM 60208 C3* U B2804 88.802 -50.422 62.142 1.00 0.00 C ATOM 60209 O3* U B2804 88.012 -51.488 62.569 1.00 0.00 O ATOM 60210 C2* U B2804 88.916 -49.316 63.186 1.00 0.00 C ATOM 60211 O2* U B2804 89.125 -49.862 64.477 1.00 0.00 O ATOM 60212 C1* U B2804 90.218 -48.637 62.775 1.00 0.00 C ATOM 60213 N1 U B2804 90.025 -47.469 61.870 1.00 0.00 N ATOM 60214 C2 U B2804 89.538 -46.315 62.433 1.00 0.00 C ATOM 60215 O2 U B2804 89.265 -46.219 63.618 1.00 0.00 O ATOM 60216 N3 U B2804 89.373 -45.255 61.564 1.00 0.00 N ATOM 60217 C4 U B2804 89.648 -45.253 60.211 1.00 0.00 C ATOM 60218 O4 U B2804 89.458 -44.242 59.533 1.00 0.00 O ATOM 60219 C5 U B2804 90.154 -46.511 59.713 1.00 0.00 C ATOM 60220 C6 U B2804 90.325 -47.558 60.535 1.00 0.00 C ATOM 60221 P C B2805 86.462 -51.567 62.060 1.00 0.00 P ATOM 60222 O1P C B2805 85.912 -52.921 62.308 1.00 0.00 O ATOM 60223 O2P C B2805 86.375 -51.083 60.666 1.00 0.00 O ATOM 60224 O5* C B2805 85.768 -50.513 63.046 1.00 0.00 O ATOM 60225 C5* C B2805 85.816 -50.749 64.465 1.00 0.00 C ATOM 60226 C4* C B2805 85.213 -49.573 65.206 1.00 0.00 C ATOM 60227 O4* C B2805 86.080 -48.414 65.034 1.00 0.00 O ATOM 60228 C3* C B2805 83.853 -49.094 64.700 1.00 0.00 C ATOM 60229 O3* C B2805 82.811 -49.840 65.249 1.00 0.00 O ATOM 60230 C2* C B2805 83.838 -47.636 65.157 1.00 0.00 C ATOM 60231 O2* C B2805 83.576 -47.546 66.545 1.00 0.00 O ATOM 60232 C1* C B2805 85.294 -47.234 64.951 1.00 0.00 C ATOM 60233 N1 C B2805 85.561 -46.596 63.631 1.00 0.00 N ATOM 60234 C2 C B2805 85.123 -45.290 63.443 1.00 0.00 C ATOM 60235 O2 C B2805 84.537 -44.717 64.369 1.00 0.00 O ATOM 60236 N3 C B2805 85.355 -44.690 62.246 1.00 0.00 N ATOM 60237 C4 C B2805 85.993 -45.344 61.269 1.00 0.00 C ATOM 60238 N4 C B2805 86.196 -44.715 60.120 1.00 0.00 N ATOM 60239 C5 C B2805 86.449 -46.691 61.441 1.00 0.00 C ATOM 60240 C6 C B2805 86.208 -47.270 62.643 1.00 0.00 C ATOM 60241 P C B2806 82.293 -50.036 66.994 1.00 0.00 P ATOM 60242 O1P C B2806 83.371 -49.793 67.977 1.00 0.00 O ATOM 60243 O2P C B2806 81.531 -51.295 67.172 1.00 0.00 O ATOM 60244 O5* C B2806 81.182 -48.614 66.793 1.00 0.00 O ATOM 60245 C5* C B2806 80.801 -47.707 65.750 1.00 0.00 C ATOM 60246 C4* C B2806 81.059 -48.268 64.239 1.00 0.00 C ATOM 60247 O4* C B2806 82.051 -47.720 63.325 1.00 0.00 O ATOM 60248 C3* C B2806 80.105 -49.037 63.321 1.00 0.00 C ATOM 60249 O3* C B2806 78.809 -49.508 63.965 1.00 0.00 O ATOM 60250 C2* C B2806 80.083 -48.154 62.077 1.00 0.00 C ATOM 60251 O2* C B2806 79.279 -47.008 62.285 1.00 0.00 O ATOM 60252 C1* C B2806 81.529 -47.674 62.008 1.00 0.00 C ATOM 60253 N1 C B2806 82.553 -48.615 60.984 1.00 0.00 N ATOM 60254 C2 C B2806 83.470 -47.939 60.183 1.00 0.00 C ATOM 60255 O2 C B2806 83.531 -46.709 60.258 1.00 0.00 O ATOM 60256 N3 C B2806 84.261 -48.661 59.345 1.00 0.00 N ATOM 60257 C4 C B2806 84.160 -49.996 59.288 1.00 0.00 C ATOM 60258 N4 C B2806 84.953 -50.652 58.458 1.00 0.00 N ATOM 60259 C5 C B2806 83.222 -50.708 60.106 1.00 0.00 C ATOM 60260 C6 C B2806 82.444 -49.971 60.934 1.00 0.00 C ATOM 60261 P U B2807 77.188 -49.092 63.209 1.00 0.00 P ATOM 60262 O1P U B2807 76.795 -47.678 63.380 1.00 0.00 O ATOM 60263 O2P U B2807 76.209 -50.092 63.681 1.00 0.00 O ATOM 60264 O5* U B2807 77.715 -49.331 61.474 1.00 0.00 O ATOM 60265 C5* U B2807 77.383 -48.488 60.336 1.00 0.00 C ATOM 60266 C4* U B2807 78.659 -47.883 59.548 1.00 0.00 C ATOM 60267 O4* U B2807 79.138 -48.558 58.343 1.00 0.00 O ATOM 60268 C3* U B2807 79.030 -46.421 59.319 1.00 0.00 C ATOM 60269 O3* U B2807 79.008 -45.462 60.539 1.00 0.00 O ATOM 60270 C2* U B2807 80.366 -46.536 58.587 1.00 0.00 C ATOM 60271 O2* U B2807 81.406 -46.867 59.486 1.00 0.00 O ATOM 60272 C1* U B2807 80.128 -47.764 57.711 1.00 0.00 C ATOM 60273 N1 U B2807 79.616 -47.424 56.158 1.00 0.00 N ATOM 60274 C2 U B2807 80.385 -46.550 55.424 1.00 0.00 C ATOM 60275 O2 U B2807 81.360 -45.981 55.887 1.00 0.00 O ATOM 60276 N3 U B2807 79.976 -46.356 54.118 1.00 0.00 N ATOM 60277 C4 U B2807 78.895 -46.944 53.501 1.00 0.00 C ATOM 60278 O4 U B2807 78.631 -46.692 52.326 1.00 0.00 O ATOM 60279 C5 U B2807 78.149 -47.844 54.350 1.00 0.00 C ATOM 60280 C6 U B2807 78.522 -48.056 55.624 1.00 0.00 C ATOM 60281 P G B2808 80.463 -44.422 60.969 1.00 0.00 P ATOM 60282 O1P G B2808 80.973 -43.610 59.840 1.00 0.00 O ATOM 60283 O2P G B2808 81.479 -45.187 61.719 1.00 0.00 O ATOM 60284 O5* G B2808 79.486 -43.453 62.163 1.00 0.00 O ATOM 60285 C5* G B2808 79.958 -43.497 63.527 1.00 0.00 C ATOM 60286 C4* G B2808 78.916 -42.803 64.500 1.00 0.00 C ATOM 60287 O4* G B2808 78.191 -43.543 65.521 1.00 0.00 O ATOM 60288 C3* G B2808 78.990 -41.378 65.061 1.00 0.00 C ATOM 60289 O3* G B2808 79.321 -40.321 63.994 1.00 0.00 O ATOM 60290 C2* G B2808 77.639 -41.248 65.758 1.00 0.00 C ATOM 60291 O2* G B2808 76.602 -41.038 64.816 1.00 0.00 O ATOM 60292 C1* G B2808 77.444 -42.648 66.333 1.00 0.00 C ATOM 60293 N9 G B2808 77.964 -42.833 67.965 1.00 0.00 N ATOM 60294 C8 G B2808 78.223 -41.864 68.910 1.00 0.00 C ATOM 60295 N7 G B2808 78.540 -42.343 70.088 1.00 0.00 N ATOM 60296 C5 G B2808 78.491 -43.726 69.908 1.00 0.00 C ATOM 60297 C6 G B2808 78.732 -44.775 70.834 1.00 0.00 C ATOM 60298 O6 G B2808 79.050 -44.704 72.012 1.00 0.00 O ATOM 60299 N1 G B2808 78.566 -46.030 70.233 1.00 0.00 N ATOM 60300 C2 G B2808 78.208 -46.245 68.915 1.00 0.00 C ATOM 60301 N2 G B2808 78.101 -47.522 68.535 1.00 0.00 N ATOM 60302 N3 G B2808 77.981 -45.261 68.050 1.00 0.00 N ATOM 60303 C4 G B2808 78.137 -44.035 68.616 1.00 0.00 C ATOM 60304 P A B2809 79.617 -38.615 64.581 1.00 0.00 P ATOM 60305 O1P A B2809 80.417 -37.843 63.600 1.00 0.00 O ATOM 60306 O2P A B2809 80.104 -38.585 65.976 1.00 0.00 O ATOM 60307 O5* A B2809 77.847 -38.199 64.452 1.00 0.00 O ATOM 60308 C5* A B2809 76.476 -37.825 64.699 1.00 0.00 C ATOM 60309 C4* A B2809 75.983 -38.166 66.216 1.00 0.00 C ATOM 60310 O4* A B2809 74.748 -38.905 66.409 1.00 0.00 O ATOM 60311 C3* A B2809 76.969 -38.837 67.178 1.00 0.00 C ATOM 60312 O3* A B2809 77.943 -37.674 67.657 1.00 0.00 O ATOM 60313 C2* A B2809 76.070 -39.182 68.363 1.00 0.00 C ATOM 60314 O2* A B2809 75.792 -38.026 69.137 1.00 0.00 O ATOM 60315 C1* A B2809 74.774 -39.575 67.663 1.00 0.00 C ATOM 60316 N9 A B2809 74.600 -41.203 67.391 1.00 0.00 N ATOM 60317 C8 A B2809 74.478 -41.864 66.194 1.00 0.00 C ATOM 60318 N7 A B2809 74.320 -43.149 66.312 1.00 0.00 N ATOM 60319 C5 A B2809 74.337 -43.360 67.686 1.00 0.00 C ATOM 60320 C6 A B2809 74.215 -44.519 68.465 1.00 0.00 C ATOM 60321 N6 A B2809 74.046 -45.748 67.948 1.00 0.00 N ATOM 60322 N1 A B2809 74.274 -44.374 69.803 1.00 0.00 N ATOM 60323 C2 A B2809 74.441 -43.153 70.310 1.00 0.00 C ATOM 60324 N3 A B2809 74.569 -42.005 69.680 1.00 0.00 N ATOM 60325 C4 A B2809 74.507 -42.178 68.348 1.00 0.00 C ATOM 60326 P A B2810 77.413 -36.178 68.694 1.00 0.00 P ATOM 60327 O1P A B2810 77.980 -34.951 68.094 1.00 0.00 O ATOM 60328 O2P A B2810 77.811 -36.462 70.090 1.00 0.00 O ATOM 60329 O5* A B2810 75.531 -36.099 68.689 1.00 0.00 O ATOM 60330 C5* A B2810 74.213 -36.345 69.402 1.00 0.00 C ATOM 60331 C4* A B2810 73.501 -37.794 69.929 1.00 0.00 C ATOM 60332 O4* A B2810 74.247 -39.042 70.023 1.00 0.00 O ATOM 60333 C3* A B2810 72.662 -37.773 71.209 1.00 0.00 C ATOM 60334 O3* A B2810 71.651 -36.715 71.362 1.00 0.00 O ATOM 60335 C2* A B2810 72.313 -39.248 71.388 1.00 0.00 C ATOM 60336 O2* A B2810 71.292 -39.635 70.486 1.00 0.00 O ATOM 60337 C1* A B2810 73.598 -39.928 70.923 1.00 0.00 C ATOM 60338 N9 A B2810 74.674 -40.311 72.157 1.00 0.00 N ATOM 60339 C8 A B2810 74.443 -41.057 73.296 1.00 0.00 C ATOM 60340 N7 A B2810 75.518 -41.336 73.967 1.00 0.00 N ATOM 60341 C5 A B2810 76.538 -40.741 73.235 1.00 0.00 C ATOM 60342 C6 A B2810 77.926 -40.683 73.426 1.00 0.00 C ATOM 60343 N6 A B2810 78.559 -41.250 74.462 1.00 0.00 N ATOM 60344 N1 A B2810 78.645 -40.013 72.507 1.00 0.00 N ATOM 60345 C2 A B2810 78.015 -39.446 71.479 1.00 0.00 C ATOM 60346 N3 A B2810 76.728 -39.441 71.200 1.00 0.00 N ATOM 60347 C4 A B2810 76.029 -40.121 72.133 1.00 0.00 C ATOM 60348 P G B2811 72.389 -35.440 72.393 1.00 0.00 P ATOM 60349 O1P G B2811 73.851 -35.345 72.605 1.00 0.00 O ATOM 60350 O2P G B2811 71.552 -35.304 73.605 1.00 0.00 O ATOM 60351 O5* G B2811 71.929 -34.367 71.297 1.00 0.00 O ATOM 60352 C5* G B2811 72.304 -32.988 71.473 1.00 0.00 C ATOM 60353 C4* G B2811 71.877 -32.177 70.266 1.00 0.00 C ATOM 60354 O4* G B2811 72.671 -32.590 69.114 1.00 0.00 O ATOM 60355 C3* G B2811 70.432 -32.376 69.808 1.00 0.00 C ATOM 60356 O3* G B2811 69.551 -31.573 70.531 1.00 0.00 O ATOM 60357 C2* G B2811 70.506 -31.987 68.332 1.00 0.00 C ATOM 60358 O2* G B2811 70.569 -30.579 68.187 1.00 0.00 O ATOM 60359 C1* G B2811 71.875 -32.538 67.941 1.00 0.00 C ATOM 60360 N9 G B2811 71.826 -33.910 67.358 1.00 0.00 N ATOM 60361 C8 G B2811 72.194 -35.109 67.928 1.00 0.00 C ATOM 60362 N7 G B2811 72.025 -36.145 67.139 1.00 0.00 N ATOM 60363 C5 G B2811 71.505 -35.590 65.969 1.00 0.00 C ATOM 60364 C6 G B2811 71.121 -36.218 64.756 1.00 0.00 C ATOM 60365 O6 G B2811 71.157 -37.407 64.457 1.00 0.00 O ATOM 60366 N1 G B2811 70.647 -35.278 63.827 1.00 0.00 N ATOM 60367 C2 G B2811 70.555 -33.919 64.040 1.00 0.00 C ATOM 60368 N2 G B2811 70.076 -33.194 63.028 1.00 0.00 N ATOM 60369 N3 G B2811 70.917 -33.332 65.180 1.00 0.00 N ATOM 60370 C4 G B2811 71.382 -34.227 66.094 1.00 0.00 C ATOM 60371 P G B2812 68.052 -32.137 70.844 1.00 0.00 P ATOM 60372 O1P G B2812 67.412 -31.328 71.906 1.00 0.00 O ATOM 60373 O2P G B2812 68.116 -33.595 71.094 1.00 0.00 O ATOM 60374 O5* G B2812 67.327 -31.861 69.445 1.00 0.00 O ATOM 60375 C5* G B2812 67.236 -30.509 68.961 1.00 0.00 C ATOM 60376 C4* G B2812 66.630 -30.492 67.571 1.00 0.00 C ATOM 60377 O4* G B2812 67.567 -31.111 66.642 1.00 0.00 O ATOM 60378 C3* G B2812 65.346 -31.307 67.396 1.00 0.00 C ATOM 60379 O3* G B2812 64.223 -30.579 67.781 1.00 0.00 O ATOM 60380 C2* G B2812 65.367 -31.614 65.901 1.00 0.00 C ATOM 60381 O2* G B2812 64.983 -30.475 65.149 1.00 0.00 O ATOM 60382 C1* G B2812 66.854 -31.834 65.651 1.00 0.00 C ATOM 60383 N9 G B2812 67.272 -33.262 65.734 1.00 0.00 N ATOM 60384 C8 G B2812 67.976 -33.907 66.728 1.00 0.00 C ATOM 60385 N7 G B2812 68.181 -35.182 66.494 1.00 0.00 N ATOM 60386 C5 G B2812 67.570 -35.395 65.258 1.00 0.00 C ATOM 60387 C6 G B2812 67.462 -36.580 64.486 1.00 0.00 C ATOM 60388 O6 G B2812 67.889 -37.704 64.734 1.00 0.00 O ATOM 60389 N1 G B2812 66.760 -36.350 63.293 1.00 0.00 N ATOM 60390 C2 G B2812 66.231 -35.133 62.902 1.00 0.00 C ATOM 60391 N2 G B2812 65.595 -35.124 61.726 1.00 0.00 N ATOM 60392 N3 G B2812 66.332 -34.026 63.627 1.00 0.00 N ATOM 60393 C4 G B2812 67.014 -34.230 64.787 1.00 0.00 C ATOM 60394 P A B2813 63.222 -31.284 69.148 1.00 0.00 P ATOM 60395 O1P A B2813 62.464 -30.220 69.845 1.00 0.00 O ATOM 60396 O2P A B2813 63.576 -32.465 69.969 1.00 0.00 O ATOM 60397 O5* A B2813 62.422 -31.752 67.845 1.00 0.00 O ATOM 60398 C5* A B2813 62.057 -30.770 66.860 1.00 0.00 C ATOM 60399 C4* A B2813 61.424 -31.445 65.660 1.00 0.00 C ATOM 60400 O4* A B2813 62.437 -32.234 64.975 1.00 0.00 O ATOM 60401 C3* A B2813 60.320 -32.457 65.970 1.00 0.00 C ATOM 60402 O3* A B2813 59.086 -31.832 66.138 1.00 0.00 O ATOM 60403 C2* A B2813 60.358 -33.364 64.743 1.00 0.00 C ATOM 60404 O2* A B2813 59.745 -32.732 63.633 1.00 0.00 O ATOM 60405 C1* A B2813 61.855 -33.418 64.449 1.00 0.00 C ATOM 60406 N9 A B2813 62.543 -34.583 65.068 1.00 0.00 N ATOM 60407 C8 A B2813 63.383 -34.617 66.160 1.00 0.00 C ATOM 60408 N7 A B2813 63.825 -35.802 66.450 1.00 0.00 N ATOM 60409 C5 A B2813 63.242 -36.622 65.492 1.00 0.00 C ATOM 60410 C6 A B2813 63.315 -38.003 65.255 1.00 0.00 C ATOM 60411 N6 A B2813 64.042 -38.842 66.002 1.00 0.00 N ATOM 60412 N1 A B2813 62.611 -38.491 64.217 1.00 0.00 N ATOM 60413 C2 A B2813 61.889 -37.652 63.478 1.00 0.00 C ATOM 60414 N3 A B2813 61.746 -36.348 63.600 1.00 0.00 N ATOM 60415 C4 A B2813 62.459 -35.887 64.649 1.00 0.00 C ATOM 60416 P A B2814 58.028 -32.456 67.212 1.00 0.00 P ATOM 60417 O1P A B2814 56.961 -31.474 67.511 1.00 0.00 O ATOM 60418 O2P A B2814 58.766 -32.983 68.382 1.00 0.00 O ATOM 60419 O5* A B2814 57.417 -33.670 66.363 1.00 0.00 O ATOM 60420 C5* A B2814 56.733 -33.385 65.129 1.00 0.00 C ATOM 60421 C4* A B2814 56.356 -34.678 64.436 1.00 0.00 C ATOM 60422 O4* A B2814 57.571 -35.348 63.991 1.00 0.00 O ATOM 60423 C3* A B2814 55.658 -35.724 65.307 1.00 0.00 C ATOM 60424 O3* A B2814 54.290 -35.489 65.390 1.00 0.00 O ATOM 60425 C2* A B2814 55.992 -37.023 64.578 1.00 0.00 C ATOM 60426 O2* A B2814 55.191 -37.167 63.416 1.00 0.00 O ATOM 60427 C1* A B2814 57.415 -36.753 64.103 1.00 0.00 C ATOM 60428 N9 A B2814 58.463 -37.259 65.032 1.00 0.00 N ATOM 60429 C8 A B2814 59.275 -36.552 65.892 1.00 0.00 C ATOM 60430 N7 A B2814 60.091 -37.292 66.576 1.00 0.00 N ATOM 60431 C5 A B2814 59.812 -38.585 66.147 1.00 0.00 C ATOM 60432 C6 A B2814 60.341 -39.835 66.499 1.00 0.00 C ATOM 60433 N6 A B2814 61.318 -39.994 67.404 1.00 0.00 N ATOM 60434 N1 A B2814 59.836 -40.915 65.880 1.00 0.00 N ATOM 60435 C2 A B2814 58.867 -40.753 64.986 1.00 0.00 C ATOM 60436 N3 A B2814 58.292 -39.639 64.576 1.00 0.00 N ATOM 60437 C4 A B2814 58.818 -38.569 65.211 1.00 0.00 C ATOM 60438 P C B2815 53.513 -35.857 66.781 1.00 0.00 P ATOM 60439 O1P C B2815 52.180 -35.211 66.808 1.00 0.00 O ATOM 60440 O2P C B2815 54.395 -35.561 67.930 1.00 0.00 O ATOM 60441 O5* C B2815 53.344 -37.440 66.619 1.00 0.00 O ATOM 60442 C5* C B2815 52.591 -37.951 65.505 1.00 0.00 C ATOM 60443 C4* C B2815 52.663 -39.462 65.478 1.00 0.00 C ATOM 60444 O4* C B2815 54.029 -39.866 65.165 1.00 0.00 O ATOM 60445 C3* C B2815 52.369 -40.168 66.803 1.00 0.00 C ATOM 60446 O3* C B2815 51.001 -40.342 66.994 1.00 0.00 O ATOM 60447 C2* C B2815 53.111 -41.492 66.636 1.00 0.00 C ATOM 60448 O2* C B2815 52.395 -42.367 65.781 1.00 0.00 O ATOM 60449 C1* C B2815 54.358 -41.050 65.874 1.00 0.00 C ATOM 60450 N1 C B2815 55.521 -40.751 66.752 1.00 0.00 N ATOM 60451 C2 C B2815 56.194 -41.827 67.324 1.00 0.00 C ATOM 60452 O2 C B2815 55.803 -42.973 67.082 1.00 0.00 O ATOM 60453 N3 C B2815 57.259 -41.576 68.129 1.00 0.00 N ATOM 60454 C4 C B2815 57.655 -40.319 68.368 1.00 0.00 C ATOM 60455 N4 C B2815 58.698 -40.129 69.160 1.00 0.00 N ATOM 60456 C5 C B2815 56.975 -39.200 67.788 1.00 0.00 C ATOM 60457 C6 C B2815 55.913 -39.470 66.988 1.00 0.00 C ATOM 60458 P G B2816 50.406 -40.268 68.515 1.00 0.00 P ATOM 60459 O1P G B2816 48.933 -40.106 68.482 1.00 0.00 O ATOM 60460 O2P G B2816 51.147 -39.245 69.283 1.00 0.00 O ATOM 60461 O5* G B2816 50.777 -41.728 69.053 1.00 0.00 O ATOM 60462 C5* G B2816 50.230 -42.878 68.386 1.00 0.00 C ATOM 60463 C4* G B2816 50.810 -44.148 68.979 1.00 0.00 C ATOM 60464 O4* G B2816 52.225 -44.217 68.651 1.00 0.00 O ATOM 60465 C3* G B2816 50.780 -44.242 70.502 1.00 0.00 C ATOM 60466 O3* G B2816 49.551 -44.711 70.965 1.00 0.00 O ATOM 60467 C2* G B2816 51.925 -45.211 70.786 1.00 0.00 C ATOM 60468 O2* G B2816 51.537 -46.544 70.498 1.00 0.00 O ATOM 60469 C1* G B2816 52.939 -44.806 69.725 1.00 0.00 C ATOM 60470 N9 G B2816 53.945 -43.818 70.206 1.00 0.00 N ATOM 60471 C8 G B2816 54.041 -42.470 69.930 1.00 0.00 C ATOM 60472 N7 G B2816 55.054 -41.877 70.518 1.00 0.00 N ATOM 60473 C5 G B2816 55.669 -42.902 71.235 1.00 0.00 C ATOM 60474 C6 G B2816 56.815 -42.872 72.069 1.00 0.00 C ATOM 60475 O6 G B2816 57.538 -41.920 72.353 1.00 0.00 O ATOM 60476 N1 G B2816 57.094 -44.138 72.602 1.00 0.00 N ATOM 60477 C2 G B2816 56.360 -45.283 72.361 1.00 0.00 C ATOM 60478 N2 G B2816 56.788 -46.395 72.964 1.00 0.00 N ATOM 60479 N3 G B2816 55.283 -45.312 71.578 1.00 0.00 N ATOM 60480 C4 G B2816 54.998 -44.090 71.052 1.00 0.00 C ATOM 60481 P U B2817 48.981 -44.151 72.389 1.00 0.00 P ATOM 60482 O1P U B2817 47.541 -44.467 72.523 1.00 0.00 O ATOM 60483 O2P U B2817 49.341 -42.725 72.538 1.00 0.00 O ATOM 60484 O5* U B2817 49.828 -45.035 73.420 1.00 0.00 O ATOM 60485 C5* U B2817 49.695 -46.468 73.382 1.00 0.00 C ATOM 60486 C4* U B2817 50.672 -47.103 74.351 1.00 0.00 C ATOM 60487 O4* U B2817 52.027 -46.887 73.864 1.00 0.00 O ATOM 60488 C3* U B2817 50.690 -46.513 75.762 1.00 0.00 C ATOM 60489 O3* U B2817 49.697 -47.073 76.562 1.00 0.00 O ATOM 60490 C2* U B2817 52.098 -46.868 76.238 1.00 0.00 C ATOM 60491 O2* U B2817 52.178 -48.239 76.593 1.00 0.00 O ATOM 60492 C1* U B2817 52.909 -46.692 74.959 1.00 0.00 C ATOM 60493 N1 U B2817 53.525 -45.343 74.821 1.00 0.00 N ATOM 60494 C2 U B2817 54.613 -45.070 75.614 1.00 0.00 C ATOM 60495 O2 U B2817 55.078 -45.871 76.404 1.00 0.00 O ATOM 60496 N3 U B2817 55.156 -43.808 75.457 1.00 0.00 N ATOM 60497 C4 U B2817 54.714 -42.825 74.598 1.00 0.00 C ATOM 60498 O4 U B2817 55.285 -41.734 74.547 1.00 0.00 O ATOM 60499 C5 U B2817 53.567 -43.206 73.808 1.00 0.00 C ATOM 60500 C6 U B2817 53.016 -44.425 73.938 1.00 0.00 C ATOM 60501 P U B2818 48.981 -46.138 77.695 1.00 0.00 P ATOM 60502 O1P U B2818 47.735 -46.775 78.174 1.00 0.00 O ATOM 60503 O2P U B2818 48.844 -44.758 77.180 1.00 0.00 O ATOM 60504 O5* U B2818 50.089 -46.174 78.854 1.00 0.00 O ATOM 60505 C5* U B2818 50.444 -47.441 79.436 1.00 0.00 C ATOM 60506 C4* U B2818 51.590 -47.256 80.414 1.00 0.00 C ATOM 60507 O4* U B2818 52.788 -46.884 79.674 1.00 0.00 O ATOM 60508 C3* U B2818 51.420 -46.126 81.432 1.00 0.00 C ATOM 60509 O3* U B2818 50.678 -46.540 82.536 1.00 0.00 O ATOM 60510 C2* U B2818 52.870 -45.794 81.782 1.00 0.00 C ATOM 60511 O2* U B2818 53.411 -46.771 82.660 1.00 0.00 O ATOM 60512 C1* U B2818 53.560 -45.972 80.436 1.00 0.00 C ATOM 60513 N1 U B2818 53.685 -44.710 79.655 1.00 0.00 N ATOM 60514 C2 U B2818 54.625 -43.801 80.080 1.00 0.00 C ATOM 60515 O2 U B2818 55.340 -43.992 81.049 1.00 0.00 O ATOM 60516 N3 U B2818 54.711 -42.646 79.334 1.00 0.00 N ATOM 60517 C4 U B2818 53.954 -42.327 78.224 1.00 0.00 C ATOM 60518 O4 U B2818 54.123 -41.258 77.633 1.00 0.00 O ATOM 60519 C5 U B2818 52.997 -43.341 77.855 1.00 0.00 C ATOM 60520 C6 U B2818 52.891 -44.476 78.564 1.00 0.00 C ATOM 60521 P G B2819 49.703 -45.460 83.278 1.00 0.00 P ATOM 60522 O1P G B2819 48.748 -46.158 84.165 1.00 0.00 O ATOM 60523 O2P G B2819 49.102 -44.565 82.262 1.00 0.00 O ATOM 60524 O5* G B2819 50.765 -44.647 84.156 1.00 0.00 O ATOM 60525 C5* G B2819 51.536 -45.352 85.148 1.00 0.00 C ATOM 60526 C4* G B2819 52.559 -44.421 85.767 1.00 0.00 C ATOM 60527 O4* G B2819 53.554 -44.080 84.759 1.00 0.00 O ATOM 60528 C3* G B2819 52.028 -43.065 86.237 1.00 0.00 C ATOM 60529 O3* G B2819 51.480 -43.145 87.513 1.00 0.00 O ATOM 60530 C2* G B2819 53.283 -42.197 86.187 1.00 0.00 C ATOM 60531 O2* G B2819 54.132 -42.472 87.289 1.00 0.00 O ATOM 60532 C1* G B2819 53.984 -42.739 84.942 1.00 0.00 C ATOM 60533 N9 G B2819 53.669 -41.982 83.701 1.00 0.00 N ATOM 60534 C8 G B2819 52.857 -42.340 82.644 1.00 0.00 C ATOM 60535 N7 G B2819 52.791 -41.438 81.695 1.00 0.00 N ATOM 60536 C5 G B2819 53.614 -40.410 82.153 1.00 0.00 C ATOM 60537 C6 G B2819 53.937 -39.165 81.558 1.00 0.00 C ATOM 60538 O6 G B2819 53.562 -38.703 80.484 1.00 0.00 O ATOM 60539 N1 G B2819 54.809 -38.424 82.367 1.00 0.00 N ATOM 60540 C2 G B2819 55.301 -38.829 83.594 1.00 0.00 C ATOM 60541 N2 G B2819 56.119 -37.974 84.208 1.00 0.00 N ATOM 60542 N3 G B2819 54.996 -40.000 84.151 1.00 0.00 N ATOM 60543 C4 G B2819 54.152 -40.732 83.377 1.00 0.00 C ATOM 60544 P A B2820 51.504 -41.647 88.611 1.00 0.00 P ATOM 60545 O1P A B2820 52.454 -41.818 89.728 1.00 0.00 O ATOM 60546 O2P A B2820 50.105 -41.341 88.990 1.00 0.00 O ATOM 60547 O5* A B2820 52.178 -40.407 87.423 1.00 0.00 O ATOM 60548 C5* A B2820 52.305 -39.366 86.398 1.00 0.00 C ATOM 60549 C4* A B2820 50.878 -39.269 85.623 1.00 0.00 C ATOM 60550 O4* A B2820 50.655 -38.998 84.211 1.00 0.00 O ATOM 60551 C3* A B2820 50.002 -40.491 85.907 1.00 0.00 C ATOM 60552 O3* A B2820 49.289 -39.976 87.333 1.00 0.00 O ATOM 60553 C2* A B2820 48.789 -40.230 85.019 1.00 0.00 C ATOM 60554 O2* A B2820 47.946 -39.245 85.594 1.00 0.00 O ATOM 60555 C1* A B2820 49.435 -39.596 83.793 1.00 0.00 C ATOM 60556 N9 A B2820 49.768 -40.656 82.559 1.00 0.00 N ATOM 60557 C8 A B2820 49.921 -42.023 82.625 1.00 0.00 C ATOM 60558 N7 A B2820 49.992 -42.598 81.465 1.00 0.00 N ATOM 60559 C5 A B2820 49.881 -41.555 80.560 1.00 0.00 C ATOM 60560 C6 A B2820 49.887 -41.509 79.158 1.00 0.00 C ATOM 60561 N6 A B2820 50.012 -42.598 78.385 1.00 0.00 N ATOM 60562 N1 A B2820 49.759 -40.305 78.571 1.00 0.00 N ATOM 60563 C2 A B2820 49.632 -39.228 79.348 1.00 0.00 C ATOM 60564 N3 A B2820 49.613 -39.144 80.659 1.00 0.00 N ATOM 60565 C4 A B2820 49.742 -40.367 81.220 1.00 0.00 C ATOM 60566 P A B2821 48.847 -38.143 87.686 1.00 0.00 P ATOM 60567 O1P A B2821 50.097 -37.348 87.639 1.00 0.00 O ATOM 60568 O2P A B2821 48.111 -38.100 88.970 1.00 0.00 O ATOM 60569 O5* A B2821 47.682 -37.468 86.349 1.00 0.00 O ATOM 60570 C5* A B2821 46.959 -37.415 85.003 1.00 0.00 C ATOM 60571 C4* A B2821 46.431 -38.816 84.221 1.00 0.00 C ATOM 60572 O4* A B2821 46.208 -39.024 82.800 1.00 0.00 O ATOM 60573 C3* A B2821 45.923 -40.103 84.873 1.00 0.00 C ATOM 60574 O3* A B2821 45.594 -40.354 86.338 1.00 0.00 O ATOM 60575 C2* A B2821 44.725 -40.450 83.991 1.00 0.00 C ATOM 60576 O2* A B2821 43.619 -39.625 84.292 1.00 0.00 O ATOM 60577 C1* A B2821 45.225 -40.033 82.613 1.00 0.00 C ATOM 60578 N9 A B2821 45.906 -41.275 81.711 1.00 0.00 N ATOM 60579 C8 A B2821 46.809 -41.186 80.678 1.00 0.00 C ATOM 60580 N7 A B2821 47.253 -42.332 80.265 1.00 0.00 N ATOM 60581 C5 A B2821 46.603 -43.255 81.075 1.00 0.00 C ATOM 60582 C6 A B2821 46.653 -44.655 81.137 1.00 0.00 C ATOM 60583 N6 A B2821 47.413 -45.409 80.333 1.00 0.00 N ATOM 60584 N1 A B2821 45.880 -45.261 82.064 1.00 0.00 N ATOM 60585 C2 A B2821 45.125 -44.508 82.857 1.00 0.00 C ATOM 60586 N3 A B2821 45.003 -43.199 82.893 1.00 0.00 N ATOM 60587 C4 A B2821 45.782 -42.619 81.959 1.00 0.00 C ATOM 60588 P G B2822 44.846 -42.037 86.526 1.00 0.00 P ATOM 60589 O1P G B2822 44.474 -42.295 87.936 1.00 0.00 O ATOM 60590 O2P G B2822 45.717 -43.053 85.897 1.00 0.00 O ATOM 60591 O5* G B2822 43.348 -41.744 85.488 1.00 0.00 O ATOM 60592 C5* G B2822 42.472 -42.126 84.365 1.00 0.00 C ATOM 60593 C4* G B2822 41.537 -41.025 83.556 1.00 0.00 C ATOM 60594 O4* G B2822 41.063 -39.854 84.283 1.00 0.00 O ATOM 60595 C3* G B2822 41.864 -40.489 82.160 1.00 0.00 C ATOM 60596 O3* G B2822 41.903 -41.589 81.075 1.00 0.00 O ATOM 60597 C2* G B2822 40.768 -39.443 81.960 1.00 0.00 C ATOM 60598 O2* G B2822 39.531 -40.061 81.649 1.00 0.00 O ATOM 60599 C1* G B2822 40.636 -38.862 83.362 1.00 0.00 C ATOM 60600 N9 G B2822 41.574 -37.411 83.642 1.00 0.00 N ATOM 60601 C8 G B2822 41.606 -36.243 82.915 1.00 0.00 C ATOM 60602 N7 G B2822 42.331 -35.294 83.456 1.00 0.00 N ATOM 60603 C5 G B2822 42.811 -35.873 84.631 1.00 0.00 C ATOM 60604 C6 G B2822 43.651 -35.332 85.635 1.00 0.00 C ATOM 60605 O6 G B2822 44.153 -34.209 85.705 1.00 0.00 O ATOM 60606 N1 G B2822 43.891 -36.262 86.656 1.00 0.00 N ATOM 60607 C2 G B2822 43.390 -37.548 86.698 1.00 0.00 C ATOM 60608 N2 G B2822 43.733 -38.283 87.756 1.00 0.00 N ATOM 60609 N3 G B2822 42.600 -38.056 85.751 1.00 0.00 N ATOM 60610 C4 G B2822 42.356 -37.163 84.752 1.00 0.00 C ATOM 60611 P A B2823 43.001 -41.450 79.613 1.00 0.00 P ATOM 60612 O1P A B2823 43.119 -42.782 78.972 1.00 0.00 O ATOM 60613 O2P A B2823 44.277 -40.759 79.889 1.00 0.00 O ATOM 60614 O5* A B2823 41.908 -40.326 78.672 1.00 0.00 O ATOM 60615 C5* A B2823 42.362 -39.487 77.581 1.00 0.00 C ATOM 60616 C4* A B2823 43.194 -38.192 78.073 1.00 0.00 C ATOM 60617 O4* A B2823 42.854 -37.420 79.259 1.00 0.00 O ATOM 60618 C3* A B2823 44.474 -37.536 77.552 1.00 0.00 C ATOM 60619 O3* A B2823 44.891 -37.863 76.116 1.00 0.00 O ATOM 60620 C2* A B2823 44.223 -36.061 77.866 1.00 0.00 C ATOM 60621 O2* A B2823 43.317 -35.499 76.932 1.00 0.00 O ATOM 60622 C1* A B2823 43.487 -36.148 79.197 1.00 0.00 C ATOM 60623 N9 A B2823 44.469 -35.979 80.557 1.00 0.00 N ATOM 60624 C8 A B2823 44.984 -36.964 81.370 1.00 0.00 C ATOM 60625 N7 A B2823 45.833 -36.531 82.248 1.00 0.00 N ATOM 60626 C5 A B2823 45.898 -35.162 82.008 1.00 0.00 C ATOM 60627 C6 A B2823 46.630 -34.130 82.613 1.00 0.00 C ATOM 60628 N6 A B2823 47.481 -34.326 83.631 1.00 0.00 N ATOM 60629 N1 A B2823 46.457 -32.889 82.133 1.00 0.00 N ATOM 60630 C2 A B2823 45.609 -32.704 81.119 1.00 0.00 C ATOM 60631 N3 A B2823 44.873 -33.587 80.477 1.00 0.00 N ATOM 60632 C4 A B2823 45.067 -34.824 80.981 1.00 0.00 C ATOM 60633 P C B2824 46.555 -38.601 75.904 1.00 0.00 P ATOM 60634 O1P C B2824 47.123 -38.233 74.587 1.00 0.00 O ATOM 60635 O2P C B2824 46.564 -40.045 76.228 1.00 0.00 O ATOM 60636 O5* C B2824 47.285 -37.599 77.237 1.00 0.00 O ATOM 60637 C5* C B2824 47.914 -36.319 77.379 1.00 0.00 C ATOM 60638 C4* C B2824 47.124 -35.153 76.592 1.00 0.00 C ATOM 60639 O4* C B2824 46.379 -34.137 77.326 1.00 0.00 O ATOM 60640 C3* C B2824 47.588 -34.432 75.326 1.00 0.00 C ATOM 60641 O3* C B2824 48.018 -35.344 74.170 1.00 0.00 O ATOM 60642 C2* C B2824 46.404 -33.515 75.034 1.00 0.00 C ATOM 60643 O2* C B2824 45.326 -34.245 74.467 1.00 0.00 O ATOM 60644 C1* C B2824 45.975 -33.108 76.440 1.00 0.00 C ATOM 60645 N1 C B2824 46.641 -31.630 76.990 1.00 0.00 N ATOM 60646 C2 C B2824 46.945 -30.662 76.040 1.00 0.00 C ATOM 60647 O2 C B2824 46.743 -30.911 74.846 1.00 0.00 O ATOM 60648 N3 C B2824 47.454 -29.475 76.455 1.00 0.00 N ATOM 60649 C4 C B2824 47.664 -29.241 77.758 1.00 0.00 C ATOM 60650 N4 C B2824 48.165 -28.069 78.116 1.00 0.00 N ATOM 60651 C5 C B2824 47.353 -30.224 78.751 1.00 0.00 C ATOM 60652 C6 C B2824 46.848 -31.403 78.311 1.00 0.00 C ATOM 60653 P G B2825 49.805 -35.380 73.785 1.00 0.00 P ATOM 60654 O1P G B2825 50.034 -35.833 72.398 1.00 0.00 O ATOM 60655 O2P G B2825 50.590 -36.083 74.830 1.00 0.00 O ATOM 60656 O5* G B2825 49.947 -33.573 73.917 1.00 0.00 O ATOM 60657 C5* G B2825 50.748 -32.430 74.231 1.00 0.00 C ATOM 60658 C4* G B2825 50.706 -32.036 75.800 1.00 0.00 C ATOM 60659 O4* G B2825 49.761 -32.715 76.679 1.00 0.00 O ATOM 60660 C3* G B2825 51.943 -31.835 76.677 1.00 0.00 C ATOM 60661 O3* G B2825 52.759 -30.628 76.174 1.00 0.00 O ATOM 60662 C2* G B2825 51.325 -31.561 78.046 1.00 0.00 C ATOM 60663 O2* G B2825 50.822 -30.240 78.112 1.00 0.00 O ATOM 60664 C1* G B2825 50.120 -32.494 78.036 1.00 0.00 C ATOM 60665 N9 G B2825 50.388 -34.024 78.782 1.00 0.00 N ATOM 60666 C8 G B2825 50.559 -35.262 78.195 1.00 0.00 C ATOM 60667 N7 G B2825 50.651 -36.249 79.055 1.00 0.00 N ATOM 60668 C5 G B2825 50.530 -35.618 80.297 1.00 0.00 C ATOM 60669 C6 G B2825 50.555 -36.170 81.602 1.00 0.00 C ATOM 60670 O6 G B2825 50.690 -37.344 81.941 1.00 0.00 O ATOM 60671 N1 G B2825 50.404 -35.178 82.578 1.00 0.00 N ATOM 60672 C2 G B2825 50.244 -33.830 82.326 1.00 0.00 C ATOM 60673 N2 G B2825 50.113 -33.039 83.394 1.00 0.00 N ATOM 60674 N3 G B2825 50.222 -33.310 81.100 1.00 0.00 N ATOM 60675 C4 G B2825 50.371 -34.266 80.140 1.00 0.00 C ATOM 60676 P A B2826 54.259 -30.884 75.192 1.00 0.00 P ATOM 60677 O1P A B2826 54.093 -30.509 73.772 1.00 0.00 O ATOM 60678 O2P A B2826 54.908 -32.196 75.438 1.00 0.00 O ATOM 60679 O5* A B2826 54.956 -29.519 76.165 1.00 0.00 O ATOM 60680 C5* A B2826 54.181 -28.576 76.941 1.00 0.00 C ATOM 60681 C4* A B2826 54.511 -28.554 78.524 1.00 0.00 C ATOM 60682 O4* A B2826 53.479 -28.716 79.539 1.00 0.00 O ATOM 60683 C3* A B2826 55.757 -29.166 79.165 1.00 0.00 C ATOM 60684 O3* A B2826 57.079 -28.977 78.510 1.00 0.00 O ATOM 60685 C2* A B2826 55.594 -28.771 80.629 1.00 0.00 C ATOM 60686 O2* A B2826 55.916 -27.403 80.819 1.00 0.00 O ATOM 60687 C1* A B2826 54.085 -28.896 80.812 1.00 0.00 C ATOM 60688 N9 A B2826 53.579 -30.362 81.432 1.00 0.00 N ATOM 60689 C8 A B2826 52.933 -31.391 80.778 1.00 0.00 C ATOM 60690 N7 A B2826 52.818 -32.471 81.489 1.00 0.00 N ATOM 60691 C5 A B2826 53.427 -32.149 82.692 1.00 0.00 C ATOM 60692 C6 A B2826 53.635 -32.880 83.873 1.00 0.00 C ATOM 60693 N6 A B2826 53.229 -34.153 84.036 1.00 0.00 N ATOM 60694 N1 A B2826 54.274 -32.263 84.879 1.00 0.00 N ATOM 60695 C2 A B2826 54.672 -31.002 84.711 1.00 0.00 C ATOM 60696 N3 A B2826 54.537 -30.223 83.656 1.00 0.00 N ATOM 60697 C4 A B2826 53.893 -30.866 82.660 1.00 0.00 C ATOM 60698 P C B2827 57.792 -30.395 77.590 1.00 0.00 P ATOM 60699 O1P C B2827 58.937 -29.703 76.958 1.00 0.00 O ATOM 60700 O2P C B2827 56.987 -31.257 76.694 1.00 0.00 O ATOM 60701 O5* C B2827 58.304 -31.247 78.846 1.00 0.00 O ATOM 60702 C5* C B2827 59.035 -30.578 79.891 1.00 0.00 C ATOM 60703 C4* C B2827 59.306 -31.540 81.030 1.00 0.00 C ATOM 60704 O4* C B2827 58.041 -31.875 81.674 1.00 0.00 O ATOM 60705 C3* C B2827 59.887 -32.897 80.633 1.00 0.00 C ATOM 60706 O3* C B2827 61.271 -32.838 80.491 1.00 0.00 O ATOM 60707 C2* C B2827 59.450 -33.785 81.797 1.00 0.00 C ATOM 60708 O2* C B2827 60.257 -33.549 82.939 1.00 0.00 O ATOM 60709 C1* C B2827 58.067 -33.227 82.107 1.00 0.00 C ATOM 60710 N1 C B2827 56.960 -33.951 81.418 1.00 0.00 N ATOM 60711 C2 C B2827 56.613 -35.210 81.898 1.00 0.00 C ATOM 60712 O2 C B2827 57.229 -35.671 82.864 1.00 0.00 O ATOM 60713 N3 C B2827 55.607 -35.888 81.284 1.00 0.00 N ATOM 60714 C4 C B2827 54.962 -35.349 80.237 1.00 0.00 C ATOM 60715 N4 C B2827 53.990 -36.049 79.675 1.00 0.00 N ATOM 60716 C5 C B2827 55.306 -34.058 79.731 1.00 0.00 C ATOM 60717 C6 C B2827 56.314 -33.398 80.358 1.00 0.00 C ATOM 60718 P G B2828 61.984 -33.775 79.361 1.00 0.00 P ATOM 60719 O1P G B2828 63.367 -33.311 79.111 1.00 0.00 O ATOM 60720 O2P G B2828 61.112 -33.857 78.169 1.00 0.00 O ATOM 60721 O5* G B2828 62.015 -35.185 80.114 1.00 0.00 O ATOM 60722 C5* G B2828 62.736 -35.301 81.354 1.00 0.00 C ATOM 60723 C4* G B2828 62.527 -36.677 81.950 1.00 0.00 C ATOM 60724 O4* G B2828 61.137 -36.802 82.367 1.00 0.00 O ATOM 60725 C3* G B2828 62.732 -37.857 80.996 1.00 0.00 C ATOM 60726 O3* G B2828 64.076 -38.215 80.908 1.00 0.00 O ATOM 60727 C2* G B2828 61.874 -38.942 81.641 1.00 0.00 C ATOM 60728 O2* G B2828 62.523 -39.490 82.775 1.00 0.00 O ATOM 60729 C1* G B2828 60.688 -38.132 82.154 1.00 0.00 C ATOM 60730 N9 G B2828 59.540 -38.085 81.206 1.00 0.00 N ATOM 60731 C8 G B2828 59.110 -37.048 80.411 1.00 0.00 C ATOM 60732 N7 G B2828 58.059 -37.331 79.683 1.00 0.00 N ATOM 60733 C5 G B2828 57.768 -38.655 80.021 1.00 0.00 C ATOM 60734 C6 G B2828 56.738 -39.513 79.560 1.00 0.00 C ATOM 60735 O6 G B2828 55.850 -39.281 78.743 1.00 0.00 O ATOM 60736 N1 G B2828 56.811 -40.773 80.163 1.00 0.00 N ATOM 60737 C2 G B2828 57.759 -41.158 81.095 1.00 0.00 C ATOM 60738 N2 G B2828 57.658 -42.405 81.552 1.00 0.00 N ATOM 60739 N3 G B2828 58.726 -40.351 81.526 1.00 0.00 N ATOM 60740 C4 G B2828 58.668 -39.121 80.949 1.00 0.00 C ATOM 60741 P A B2829 64.647 -38.774 79.485 1.00 0.00 P ATOM 60742 O1P A B2829 66.127 -38.750 79.481 1.00 0.00 O ATOM 60743 O2P A B2829 63.987 -38.058 78.371 1.00 0.00 O ATOM 60744 O5* A B2829 64.132 -40.291 79.535 1.00 0.00 O ATOM 60745 C5* A B2829 64.585 -41.147 80.599 1.00 0.00 C ATOM 60746 C4* A B2829 63.882 -42.487 80.521 1.00 0.00 C ATOM 60747 O4* A B2829 62.470 -42.298 80.824 1.00 0.00 O ATOM 60748 C3* A B2829 63.876 -43.156 79.144 1.00 0.00 C ATOM 60749 O3* A B2829 65.049 -43.875 78.919 1.00 0.00 O ATOM 60750 C2* A B2829 62.643 -44.054 79.233 1.00 0.00 C ATOM 60751 O2* A B2829 62.913 -45.206 80.012 1.00 0.00 O ATOM 60752 C1* A B2829 61.686 -43.182 80.040 1.00 0.00 C ATOM 60753 N9 A B2829 60.768 -42.363 79.203 1.00 0.00 N ATOM 60754 C8 A B2829 60.801 -41.009 78.948 1.00 0.00 C ATOM 60755 N7 A B2829 59.850 -40.595 78.171 1.00 0.00 N ATOM 60756 C5 A B2829 59.130 -41.746 77.879 1.00 0.00 C ATOM 60757 C6 A B2829 57.991 -41.978 77.095 1.00 0.00 C ATOM 60758 N6 A B2829 57.345 -41.011 76.426 1.00 0.00 N ATOM 60759 N1 A B2829 57.532 -43.242 77.023 1.00 0.00 N ATOM 60760 C2 A B2829 58.179 -44.198 77.690 1.00 0.00 C ATOM 60761 N3 A B2829 59.247 -44.101 78.450 1.00 0.00 N ATOM 60762 C4 A B2829 59.685 -42.827 78.506 1.00 0.00 C ATOM 60763 P C B2830 65.642 -43.952 77.401 1.00 0.00 P ATOM 60764 O1P C B2830 67.045 -44.424 77.424 1.00 0.00 O ATOM 60765 O2P C B2830 65.409 -42.660 76.716 1.00 0.00 O ATOM 60766 O5* C B2830 64.698 -45.079 76.767 1.00 0.00 O ATOM 60767 C5* C B2830 64.700 -46.398 77.346 1.00 0.00 C ATOM 60768 C4* C B2830 63.652 -47.261 76.673 1.00 0.00 C ATOM 60769 O4* C B2830 62.333 -46.750 77.019 1.00 0.00 O ATOM 60770 C3* C B2830 63.663 -47.253 75.145 1.00 0.00 C ATOM 60771 O3* C B2830 64.588 -48.159 74.634 1.00 0.00 O ATOM 60772 C2* C B2830 62.219 -47.628 74.815 1.00 0.00 C ATOM 60773 O2* C B2830 62.008 -49.019 75.005 1.00 0.00 O ATOM 60774 C1* C B2830 61.453 -46.908 75.918 1.00 0.00 C ATOM 60775 N1 C B2830 60.964 -45.558 75.520 1.00 0.00 N ATOM 60776 C2 C B2830 59.877 -45.490 74.653 1.00 0.00 C ATOM 60777 O2 C B2830 59.369 -46.541 74.251 1.00 0.00 O ATOM 60778 N3 C B2830 59.420 -44.267 74.279 1.00 0.00 N ATOM 60779 C4 C B2830 59.999 -43.151 74.739 1.00 0.00 C ATOM 60780 N4 C B2830 59.510 -41.982 74.345 1.00 0.00 N ATOM 60781 C5 C B2830 61.116 -43.200 75.632 1.00 0.00 C ATOM 60782 C6 C B2830 61.561 -44.430 75.992 1.00 0.00 C ATOM 60783 P G B2831 65.362 -47.793 73.243 1.00 0.00 P ATOM 60784 O1P G B2831 66.536 -48.675 73.066 1.00 0.00 O ATOM 60785 O2P G B2831 65.635 -46.340 73.201 1.00 0.00 O ATOM 60786 O5* G B2831 64.237 -48.167 72.167 1.00 0.00 O ATOM 60787 C5* G B2831 63.756 -49.522 72.101 1.00 0.00 C ATOM 60788 C4* G B2831 62.616 -49.617 71.109 1.00 0.00 C ATOM 60789 O4* G B2831 61.470 -48.886 71.631 1.00 0.00 O ATOM 60790 C3* G B2831 62.869 -48.979 69.740 1.00 0.00 C ATOM 60791 O3* G B2831 63.548 -49.846 68.889 1.00 0.00 O ATOM 60792 C2* G B2831 61.450 -48.675 69.263 1.00 0.00 C ATOM 60793 O2* G B2831 60.807 -49.857 68.816 1.00 0.00 O ATOM 60794 C1* G B2831 60.768 -48.267 70.565 1.00 0.00 C ATOM 60795 N9 G B2831 60.773 -46.795 70.807 1.00 0.00 N ATOM 60796 C8 G B2831 61.531 -46.061 71.693 1.00 0.00 C ATOM 60797 N7 G B2831 61.295 -44.772 71.657 1.00 0.00 N ATOM 60798 C5 G B2831 60.312 -44.644 70.678 1.00 0.00 C ATOM 60799 C6 G B2831 59.651 -43.486 70.190 1.00 0.00 C ATOM 60800 O6 G B2831 59.801 -42.315 70.531 1.00 0.00 O ATOM 60801 N1 G B2831 58.724 -43.808 69.191 1.00 0.00 N ATOM 60802 C2 G B2831 58.463 -45.080 68.726 1.00 0.00 C ATOM 60803 N2 G B2831 57.539 -45.176 67.767 1.00 0.00 N ATOM 60804 N3 G B2831 59.082 -46.167 69.181 1.00 0.00 N ATOM 60805 C4 G B2831 59.989 -45.874 70.151 1.00 0.00 C ATOM 60806 P U B2832 64.607 -49.222 67.814 1.00 0.00 P ATOM 60807 O1P U B2832 65.478 -50.289 67.274 1.00 0.00 O ATOM 60808 O2P U B2832 65.304 -48.068 68.423 1.00 0.00 O ATOM 60809 O5* U B2832 63.607 -48.710 66.673 1.00 0.00 O ATOM 60810 C5* U B2832 62.759 -49.667 66.006 1.00 0.00 C ATOM 60811 C4* U B2832 61.813 -48.951 65.066 1.00 0.00 C ATOM 60812 O4* U B2832 60.872 -48.165 65.846 1.00 0.00 O ATOM 60813 C3* U B2832 62.456 -47.928 64.124 1.00 0.00 C ATOM 60814 O3* U B2832 62.971 -48.538 62.983 1.00 0.00 O ATOM 60815 C2* U B2832 61.287 -46.994 63.821 1.00 0.00 C ATOM 60816 O2* U B2832 60.399 -47.591 62.887 1.00 0.00 O ATOM 60817 C1* U B2832 60.563 -46.960 65.161 1.00 0.00 C ATOM 60818 N1 U B2832 60.969 -45.819 66.028 1.00 0.00 N ATOM 60819 C2 U B2832 60.505 -44.572 65.683 1.00 0.00 C ATOM 60820 O2 U B2832 59.792 -44.379 64.714 1.00 0.00 O ATOM 60821 N3 U B2832 60.901 -43.541 66.511 1.00 0.00 N ATOM 60822 C4 U B2832 61.703 -43.647 67.628 1.00 0.00 C ATOM 60823 O4 U B2832 61.993 -42.650 68.291 1.00 0.00 O ATOM 60824 C5 U B2832 62.141 -44.994 67.911 1.00 0.00 C ATOM 60825 C6 U B2832 61.772 -46.017 67.123 1.00 0.00 C ATOM 60826 P U B2833 64.322 -47.917 62.303 1.00 0.00 P ATOM 60827 O1P U B2833 64.911 -48.888 61.355 1.00 0.00 O ATOM 60828 O2P U B2833 65.228 -47.432 63.369 1.00 0.00 O ATOM 60829 O5* U B2833 63.714 -46.676 61.501 1.00 0.00 O ATOM 60830 C5* U B2833 62.736 -46.921 60.474 1.00 0.00 C ATOM 60831 C4* U B2833 62.206 -45.605 59.937 1.00 0.00 C ATOM 60832 O4* U B2833 61.432 -44.947 60.979 1.00 0.00 O ATOM 60833 C3* U B2833 63.264 -44.570 59.554 1.00 0.00 C ATOM 60834 O3* U B2833 63.747 -44.784 58.264 1.00 0.00 O ATOM 60835 C2* U B2833 62.489 -43.260 59.686 1.00 0.00 C ATOM 60836 O2* U B2833 61.624 -43.078 58.579 1.00 0.00 O ATOM 60837 C1* U B2833 61.610 -43.543 60.896 1.00 0.00 C ATOM 60838 N1 U B2833 62.194 -43.076 62.185 1.00 0.00 N ATOM 60839 C2 U B2833 62.182 -41.722 62.424 1.00 0.00 C ATOM 60840 O2 U B2833 61.721 -40.916 61.634 1.00 0.00 O ATOM 60841 N3 U B2833 62.734 -41.327 63.627 1.00 0.00 N ATOM 60842 C4 U B2833 63.281 -42.154 64.587 1.00 0.00 C ATOM 60843 O4 U B2833 63.744 -41.683 65.627 1.00 0.00 O ATOM 60844 C5 U B2833 63.247 -43.555 64.248 1.00 0.00 C ATOM 60845 C6 U B2833 62.718 -43.969 63.083 1.00 0.00 C ATOM 60846 P G B2834 64.037 -46.590 57.896 1.00 0.00 P ATOM 60847 O1P G B2834 64.627 -46.729 56.546 1.00 0.00 O ATOM 60848 O2P G B2834 62.819 -47.384 58.154 1.00 0.00 O ATOM 60849 O5* G B2834 65.317 -46.899 59.203 1.00 0.00 O ATOM 60850 C5* G B2834 66.471 -47.072 60.131 1.00 0.00 C ATOM 60851 C4* G B2834 67.071 -48.591 60.306 1.00 0.00 C ATOM 60852 O4* G B2834 67.738 -49.298 61.392 1.00 0.00 O ATOM 60853 C3* G B2834 67.013 -49.622 59.174 1.00 0.00 C ATOM 60854 O3* G B2834 65.956 -49.610 58.115 1.00 0.00 O ATOM 60855 C2* G B2834 68.336 -50.366 59.354 1.00 0.00 C ATOM 60856 O2* G B2834 69.417 -49.590 58.864 1.00 0.00 O ATOM 60857 C1* G B2834 68.465 -50.400 60.874 1.00 0.00 C ATOM 60858 N9 G B2834 67.866 -51.847 61.618 1.00 0.00 N ATOM 60859 C8 G B2834 66.565 -52.211 61.886 1.00 0.00 C ATOM 60860 N7 G B2834 66.440 -53.436 62.346 1.00 0.00 N ATOM 60861 C5 G B2834 67.747 -53.910 62.386 1.00 0.00 C ATOM 60862 C6 G B2834 68.249 -55.173 62.795 1.00 0.00 C ATOM 60863 O6 G B2834 67.636 -56.149 63.216 1.00 0.00 O ATOM 60864 N1 G B2834 69.645 -55.236 62.673 1.00 0.00 N ATOM 60865 C2 G B2834 70.450 -54.208 62.216 1.00 0.00 C ATOM 60866 N2 G B2834 71.762 -54.465 62.172 1.00 0.00 N ATOM 60867 N3 G B2834 69.975 -53.025 61.829 1.00 0.00 N ATOM 60868 C4 G B2834 68.625 -52.952 61.942 1.00 0.00 C ATOM 60869 P A B2835 66.622 -49.101 56.510 1.00 0.00 P ATOM 60870 O1P A B2835 67.513 -50.188 56.043 1.00 0.00 O ATOM 60871 O2P A B2835 67.185 -47.738 56.432 1.00 0.00 O ATOM 60872 O5* A B2835 64.956 -49.175 55.808 1.00 0.00 O ATOM 60873 C5* A B2835 63.522 -49.256 55.782 1.00 0.00 C ATOM 60874 C4* A B2835 62.960 -50.641 56.421 1.00 0.00 C ATOM 60875 O4* A B2835 63.844 -51.673 56.945 1.00 0.00 O ATOM 60876 C3* A B2835 61.689 -51.401 56.046 1.00 0.00 C ATOM 60877 O3* A B2835 60.704 -50.562 55.217 1.00 0.00 O ATOM 60878 C2* A B2835 62.250 -52.728 55.537 1.00 0.00 C ATOM 60879 O2* A B2835 62.786 -52.583 54.234 1.00 0.00 O ATOM 60880 C1* A B2835 63.425 -52.946 56.479 1.00 0.00 C ATOM 60881 N9 A B2835 63.084 -53.913 57.815 1.00 0.00 N ATOM 60882 C8 A B2835 62.739 -55.245 57.840 1.00 0.00 C ATOM 60883 N7 A B2835 62.696 -55.760 59.029 1.00 0.00 N ATOM 60884 C5 A B2835 63.032 -54.703 59.862 1.00 0.00 C ATOM 60885 C6 A B2835 63.168 -54.599 61.258 1.00 0.00 C ATOM 60886 N6 A B2835 62.966 -55.628 62.095 1.00 0.00 N ATOM 60887 N1 A B2835 63.518 -53.400 61.759 1.00 0.00 N ATOM 60888 C2 A B2835 63.718 -52.386 60.918 1.00 0.00 C ATOM 60889 N3 A B2835 63.626 -52.365 59.606 1.00 0.00 N ATOM 60890 C4 A B2835 63.275 -53.572 59.130 1.00 0.00 C ATOM 60891 P U B2836 59.637 -51.336 53.959 1.00 0.00 P ATOM 60892 O1P U B2836 58.226 -50.919 54.122 1.00 0.00 O ATOM 60893 O2P U B2836 59.862 -52.786 53.765 1.00 0.00 O ATOM 60894 O5* U B2836 60.306 -50.520 52.756 1.00 0.00 O ATOM 60895 C5* U B2836 59.580 -49.425 52.168 1.00 0.00 C ATOM 60896 C4* U B2836 60.446 -48.720 51.140 1.00 0.00 C ATOM 60897 O4* U B2836 61.547 -48.060 51.826 1.00 0.00 O ATOM 60898 C3* U B2836 61.139 -49.627 50.121 1.00 0.00 C ATOM 60899 O3* U B2836 60.296 -49.930 49.054 1.00 0.00 O ATOM 60900 C2* U B2836 62.339 -48.780 49.704 1.00 0.00 C ATOM 60901 O2* U B2836 61.941 -47.747 48.815 1.00 0.00 O ATOM 60902 C1* U B2836 62.715 -48.113 51.021 1.00 0.00 C ATOM 60903 N1 U B2836 63.766 -48.846 51.784 1.00 0.00 N ATOM 60904 C2 U B2836 65.054 -48.763 51.309 1.00 0.00 C ATOM 60905 O2 U B2836 65.354 -48.130 50.312 1.00 0.00 O ATOM 60906 N3 U B2836 65.999 -49.452 52.042 1.00 0.00 N ATOM 60907 C4 U B2836 65.771 -50.200 53.182 1.00 0.00 C ATOM 60908 O4 U B2836 66.700 -50.774 53.753 1.00 0.00 O ATOM 60909 C5 U B2836 64.389 -50.224 53.599 1.00 0.00 C ATOM 60910 C6 U B2836 63.447 -49.562 52.905 1.00 0.00 C ATOM 60911 P A B2837 60.421 -51.396 48.345 1.00 0.00 P ATOM 60912 O1P A B2837 59.231 -51.662 47.506 1.00 0.00 O ATOM 60913 O2P A B2837 60.724 -52.416 49.377 1.00 0.00 O ATOM 60914 O5* A B2837 61.703 -51.172 47.416 1.00 0.00 O ATOM 60915 C5* A B2837 61.656 -50.156 46.397 1.00 0.00 C ATOM 60916 C4* A B2837 63.010 -50.033 45.724 1.00 0.00 C ATOM 60917 O4* A B2837 63.964 -49.494 46.683 1.00 0.00 O ATOM 60918 C3* A B2837 63.647 -51.343 45.266 1.00 0.00 C ATOM 60919 O3* A B2837 63.176 -51.732 44.013 1.00 0.00 O ATOM 60920 C2* A B2837 65.132 -50.990 45.252 1.00 0.00 C ATOM 60921 O2* A B2837 65.452 -50.204 44.119 1.00 0.00 O ATOM 60922 C1* A B2837 65.241 -50.076 46.471 1.00 0.00 C ATOM 60923 N9 A B2837 65.639 -50.785 47.719 1.00 0.00 N ATOM 60924 C8 A B2837 64.867 -51.116 48.810 1.00 0.00 C ATOM 60925 N7 A B2837 65.518 -51.740 49.743 1.00 0.00 N ATOM 60926 C5 A B2837 66.812 -51.829 49.251 1.00 0.00 C ATOM 60927 C6 A B2837 67.990 -52.386 49.771 1.00 0.00 C ATOM 60928 N6 A B2837 68.055 -52.985 50.969 1.00 0.00 N ATOM 60929 N1 A B2837 69.101 -52.305 49.019 1.00 0.00 N ATOM 60930 C2 A B2837 69.029 -51.708 47.830 1.00 0.00 C ATOM 60931 N3 A B2837 67.991 -51.156 47.240 1.00 0.00 N ATOM 60932 C4 A B2837 66.892 -51.253 48.016 1.00 0.00 C ATOM 60933 P G B2838 63.019 -53.324 43.692 1.00 0.00 P ATOM 60934 O1P G B2838 62.179 -53.522 42.489 1.00 0.00 O ATOM 60935 O2P G B2838 62.572 -54.029 44.913 1.00 0.00 O ATOM 60936 O5* G B2838 64.536 -53.716 43.363 1.00 0.00 O ATOM 60937 C5* G B2838 65.200 -53.071 42.263 1.00 0.00 C ATOM 60938 C4* G B2838 66.654 -53.499 42.213 1.00 0.00 C ATOM 60939 O4* G B2838 67.343 -52.956 43.376 1.00 0.00 O ATOM 60940 C3* G B2838 66.911 -55.002 42.302 1.00 0.00 C ATOM 60941 O3* G B2838 66.799 -55.614 41.055 1.00 0.00 O ATOM 60942 C2* G B2838 68.332 -55.052 42.854 1.00 0.00 C ATOM 60943 O2* G B2838 69.278 -54.749 41.843 1.00 0.00 O ATOM 60944 C1* G B2838 68.326 -53.873 43.823 1.00 0.00 C ATOM 60945 N9 G B2838 67.996 -54.255 45.226 1.00 0.00 N ATOM 60946 C8 G B2838 66.833 -54.045 45.933 1.00 0.00 C ATOM 60947 N7 G B2838 66.864 -54.505 47.161 1.00 0.00 N ATOM 60948 C5 G B2838 68.139 -55.060 47.275 1.00 0.00 C ATOM 60949 C6 G B2838 68.755 -55.712 48.372 1.00 0.00 C ATOM 60950 O6 G B2838 68.301 -55.938 49.488 1.00 0.00 O ATOM 60951 N1 G B2838 70.059 -56.123 48.054 1.00 0.00 N ATOM 60952 C2 G B2838 70.682 -55.931 46.838 1.00 0.00 C ATOM 60953 N2 G B2838 71.926 -56.398 46.735 1.00 0.00 N ATOM 60954 N3 G B2838 70.099 -55.320 45.807 1.00 0.00 N ATOM 60955 C4 G B2838 68.836 -54.913 46.098 1.00 0.00 C ATOM 60956 P G B2839 66.306 -57.072 40.157 1.00 0.00 P ATOM 60957 O1P G B2839 66.240 -57.110 38.680 1.00 0.00 O ATOM 60958 O2P G B2839 65.252 -57.834 40.867 1.00 0.00 O ATOM 60959 O5* G B2839 67.749 -57.558 40.645 1.00 0.00 O ATOM 60960 C5* G B2839 68.919 -56.888 40.146 1.00 0.00 C ATOM 60961 C4* G B2839 70.160 -57.424 40.831 1.00 0.00 C ATOM 60962 O4* G B2839 70.130 -57.032 42.233 1.00 0.00 O ATOM 60963 C3* G B2839 70.287 -58.948 40.876 1.00 0.00 C ATOM 60964 O3* G B2839 70.847 -59.448 39.704 1.00 0.00 O ATOM 60965 C2* G B2839 71.187 -59.153 42.092 1.00 0.00 C ATOM 60966 O2* G B2839 72.538 -58.850 41.778 1.00 0.00 O ATOM 60967 C1* G B2839 70.695 -58.058 43.032 1.00 0.00 C ATOM 60968 N9 G B2839 69.650 -58.520 43.990 1.00 0.00 N ATOM 60969 C8 G B2839 68.295 -58.272 43.988 1.00 0.00 C ATOM 60970 N7 G B2839 67.649 -58.831 44.985 1.00 0.00 N ATOM 60971 C5 G B2839 68.648 -59.493 45.697 1.00 0.00 C ATOM 60972 C6 G B2839 68.562 -60.280 46.875 1.00 0.00 C ATOM 60973 O6 G B2839 67.571 -60.554 47.547 1.00 0.00 O ATOM 60974 N1 G B2839 69.817 -60.767 47.257 1.00 0.00 N ATOM 60975 C2 G B2839 71.004 -60.531 46.590 1.00 0.00 C ATOM 60976 N2 G B2839 72.096 -61.085 47.115 1.00 0.00 N ATOM 60977 N3 G B2839 71.083 -59.793 45.482 1.00 0.00 N ATOM 60978 C4 G B2839 69.872 -59.313 45.099 1.00 0.00 C ATOM 60979 P C B2840 70.356 -60.909 39.161 1.00 0.00 P ATOM 60980 O1P C B2840 70.770 -61.099 37.752 1.00 0.00 O ATOM 60981 O2P C B2840 68.911 -61.076 39.437 1.00 0.00 O ATOM 60982 O5* C B2840 71.205 -61.880 40.109 1.00 0.00 O ATOM 60983 C5* C B2840 72.643 -61.815 40.066 1.00 0.00 C ATOM 60984 C4* C B2840 73.234 -62.723 41.127 1.00 0.00 C ATOM 60985 O4* C B2840 72.917 -62.181 42.441 1.00 0.00 O ATOM 60986 C3* C B2840 72.675 -64.146 41.172 1.00 0.00 C ATOM 60987 O3* C B2840 73.315 -64.976 40.252 1.00 0.00 O ATOM 60988 C2* C B2840 72.947 -64.551 42.619 1.00 0.00 C ATOM 60989 O2* C B2840 74.316 -64.867 42.805 1.00 0.00 O ATOM 60990 C1* C B2840 72.690 -63.240 43.358 1.00 0.00 C ATOM 60991 N1 C B2840 71.302 -63.110 43.880 1.00 0.00 N ATOM 60992 C2 C B2840 70.953 -63.864 44.996 1.00 0.00 C ATOM 60993 O2 C B2840 71.803 -64.605 45.503 1.00 0.00 O ATOM 60994 N3 C B2840 69.692 -63.757 45.486 1.00 0.00 N ATOM 60995 C4 C B2840 68.798 -62.945 44.907 1.00 0.00 C ATOM 60996 N4 C B2840 67.582 -62.877 45.425 1.00 0.00 N ATOM 60997 C5 C B2840 69.137 -62.161 43.756 1.00 0.00 C ATOM 60998 C6 C B2840 70.404 -62.282 43.281 1.00 0.00 C ATOM 60999 P C B2841 72.453 -66.160 39.533 1.00 0.00 P ATOM 61000 O1P C B2841 73.181 -66.677 38.352 1.00 0.00 O ATOM 61001 O2P C B2841 71.076 -65.686 39.283 1.00 0.00 O ATOM 61002 O5* C B2841 72.444 -67.267 40.689 1.00 0.00 O ATOM 61003 C5* C B2841 73.696 -67.805 41.152 1.00 0.00 C ATOM 61004 C4* C B2841 73.458 -68.733 42.327 1.00 0.00 C ATOM 61005 O4* C B2841 72.993 -67.951 43.461 1.00 0.00 O ATOM 61006 C3* C B2841 72.363 -69.787 42.131 1.00 0.00 C ATOM 61007 O3* C B2841 72.849 -70.912 41.470 1.00 0.00 O ATOM 61008 C2* C B2841 71.947 -70.081 43.570 1.00 0.00 C ATOM 61009 O2* C B2841 72.903 -70.907 44.212 1.00 0.00 O ATOM 61010 C1* C B2841 72.048 -68.700 44.211 1.00 0.00 C ATOM 61011 N1 C B2841 70.764 -67.948 44.218 1.00 0.00 N ATOM 61012 C2 C B2841 69.784 -68.345 45.119 1.00 0.00 C ATOM 61013 O2 C B2841 70.017 -69.300 45.873 1.00 0.00 O ATOM 61014 N3 C B2841 68.603 -67.671 45.143 1.00 0.00 N ATOM 61015 C4 C B2841 68.393 -66.643 44.311 1.00 0.00 C ATOM 61016 N4 C B2841 67.226 -66.020 44.375 1.00 0.00 N ATOM 61017 C5 C B2841 69.388 -66.218 43.374 1.00 0.00 C ATOM 61018 C6 C B2841 70.558 -66.904 43.369 1.00 0.00 C ATOM 61019 P G B2842 71.851 -71.721 40.461 1.00 0.00 P ATOM 61020 O1P G B2842 72.629 -72.631 39.594 1.00 0.00 O ATOM 61021 O2P G B2842 70.976 -70.754 39.759 1.00 0.00 O ATOM 61022 O5* G B2842 70.990 -72.570 41.506 1.00 0.00 O ATOM 61023 C5* G B2842 71.665 -73.510 42.365 1.00 0.00 C ATOM 61024 C4* G B2842 70.683 -74.108 43.352 1.00 0.00 C ATOM 61025 O4* G B2842 70.253 -73.066 44.278 1.00 0.00 O ATOM 61026 C3* G B2842 69.375 -74.631 42.757 1.00 0.00 C ATOM 61027 O3* G B2842 69.518 -75.930 42.274 1.00 0.00 O ATOM 61028 C2* G B2842 68.424 -74.548 43.951 1.00 0.00 C ATOM 61029 O2* G B2842 68.667 -75.604 44.863 1.00 0.00 O ATOM 61030 C1* G B2842 68.893 -73.263 44.627 1.00 0.00 C ATOM 61031 N9 G B2842 68.131 -72.055 44.207 1.00 0.00 N ATOM 61032 C8 G B2842 68.519 -71.025 43.378 1.00 0.00 C ATOM 61033 N7 G B2842 67.603 -70.103 43.208 1.00 0.00 N ATOM 61034 C5 G B2842 66.532 -70.552 43.981 1.00 0.00 C ATOM 61035 C6 G B2842 65.257 -69.972 44.198 1.00 0.00 C ATOM 61036 O6 G B2842 64.798 -68.928 43.744 1.00 0.00 O ATOM 61037 N1 G B2842 64.477 -70.760 45.053 1.00 0.00 N ATOM 61038 C2 G B2842 64.879 -71.953 45.630 1.00 0.00 C ATOM 61039 N2 G B2842 63.983 -72.552 46.417 1.00 0.00 N ATOM 61040 N3 G B2842 66.076 -72.494 45.424 1.00 0.00 N ATOM 61041 C4 G B2842 66.847 -71.741 44.595 1.00 0.00 C ATOM 61042 P G B2843 68.663 -76.377 40.958 1.00 0.00 P ATOM 61043 O1P G B2843 69.210 -77.629 40.391 1.00 0.00 O ATOM 61044 O2P G B2843 68.566 -75.234 40.021 1.00 0.00 O ATOM 61045 O5* G B2843 67.228 -76.662 41.612 1.00 0.00 O ATOM 61046 C5* G B2843 67.115 -77.680 42.623 1.00 0.00 C ATOM 61047 C4* G B2843 65.709 -77.693 43.189 1.00 0.00 C ATOM 61048 O4* G B2843 65.491 -76.462 43.938 1.00 0.00 O ATOM 61049 C3* G B2843 64.575 -77.704 42.161 1.00 0.00 C ATOM 61050 O3* G B2843 64.300 -78.997 41.719 1.00 0.00 O ATOM 61051 C2* G B2843 63.422 -77.090 42.949 1.00 0.00 C ATOM 61052 O2* G B2843 62.877 -78.032 43.857 1.00 0.00 O ATOM 61053 C1* G B2843 64.144 -76.039 43.782 1.00 0.00 C ATOM 61054 N9 G B2843 64.158 -74.685 43.159 1.00 0.00 N ATOM 61055 C8 G B2843 65.197 -74.019 42.545 1.00 0.00 C ATOM 61056 N7 G B2843 64.876 -72.832 42.095 1.00 0.00 N ATOM 61057 C5 G B2843 63.530 -72.699 42.434 1.00 0.00 C ATOM 61058 C6 G B2843 62.631 -71.626 42.206 1.00 0.00 C ATOM 61059 O6 G B2843 62.839 -70.552 41.651 1.00 0.00 O ATOM 61060 N1 G B2843 61.355 -71.910 42.717 1.00 0.00 N ATOM 61061 C2 G B2843 60.995 -73.079 43.359 1.00 0.00 C ATOM 61062 N2 G B2843 59.727 -73.157 43.769 1.00 0.00 N ATOM 61063 N3 G B2843 61.839 -74.087 43.568 1.00 0.00 N ATOM 61064 C4 G B2843 63.082 -73.827 43.082 1.00 0.00 C ATOM 61065 P G B2844 64.473 -78.792 39.850 1.00 0.00 P ATOM 61066 O1P G B2844 63.942 -80.037 39.255 1.00 0.00 O ATOM 61067 O2P G B2844 65.885 -78.474 39.530 1.00 0.00 O ATOM 61068 O5* G B2844 63.447 -77.301 39.319 1.00 0.00 O ATOM 61069 C5* G B2844 63.330 -76.089 38.393 1.00 0.00 C ATOM 61070 C4* G B2844 61.895 -75.593 37.621 1.00 0.00 C ATOM 61071 O4* G B2844 60.730 -76.423 37.911 1.00 0.00 O ATOM 61072 C3* G B2844 61.582 -74.981 36.252 1.00 0.00 C ATOM 61073 O3* G B2844 61.126 -73.559 35.695 1.00 0.00 O ATOM 61074 C2* G B2844 60.848 -76.123 35.556 1.00 0.00 C ATOM 61075 O2* G B2844 61.760 -77.122 35.122 1.00 0.00 O ATOM 61076 C1* G B2844 60.048 -76.725 36.705 1.00 0.00 C ATOM 61077 N9 G B2844 59.841 -78.387 36.618 1.00 0.00 N ATOM 61078 C8 G B2844 58.685 -79.113 36.413 1.00 0.00 C ATOM 61079 N7 G B2844 58.879 -80.403 36.273 1.00 0.00 N ATOM 61080 C5 G B2844 60.264 -80.544 36.392 1.00 0.00 C ATOM 61081 C6 G B2844 61.071 -81.710 36.326 1.00 0.00 C ATOM 61082 O6 G B2844 60.729 -82.870 36.146 1.00 0.00 O ATOM 61083 N1 G B2844 62.428 -81.397 36.500 1.00 0.00 N ATOM 61084 C2 G B2844 62.936 -80.131 36.707 1.00 0.00 C ATOM 61085 N2 G B2844 64.262 -80.044 36.843 1.00 0.00 N ATOM 61086 N3 G B2844 62.177 -79.039 36.766 1.00 0.00 N ATOM 61087 C4 G B2844 60.857 -79.323 36.604 1.00 0.00 C ATOM 61088 P U B2845 60.395 -73.595 33.972 1.00 0.00 P ATOM 61089 O1P U B2845 59.827 -74.932 33.681 1.00 0.00 O ATOM 61090 O2P U B2845 61.347 -73.070 32.969 1.00 0.00 O ATOM 61091 O5* U B2845 58.944 -72.484 34.212 1.00 0.00 O ATOM 61092 C5* U B2845 57.613 -72.570 33.602 1.00 0.00 C ATOM 61093 C4* U B2845 57.563 -72.399 31.985 1.00 0.00 C ATOM 61094 O4* U B2845 57.712 -73.637 31.231 1.00 0.00 O ATOM 61095 C3* U B2845 56.747 -71.495 31.057 1.00 0.00 C ATOM 61096 O3* U B2845 56.678 -69.988 31.523 1.00 0.00 O ATOM 61097 C2* U B2845 57.288 -71.887 29.679 1.00 0.00 C ATOM 61098 O2* U B2845 58.562 -71.305 29.455 1.00 0.00 O ATOM 61099 C1* U B2845 57.507 -73.386 29.850 1.00 0.00 C ATOM 61100 N1 U B2845 58.805 -73.995 29.012 1.00 0.00 N ATOM 61101 C2 U B2845 59.201 -73.305 27.889 1.00 0.00 C ATOM 61102 O2 U B2845 58.569 -72.370 27.431 1.00 0.00 O ATOM 61103 N3 U B2845 60.373 -73.745 27.308 1.00 0.00 N ATOM 61104 C4 U B2845 61.161 -74.791 27.739 1.00 0.00 C ATOM 61105 O4 U B2845 62.197 -75.091 27.135 1.00 0.00 O ATOM 61106 C5 U B2845 60.665 -75.449 28.921 1.00 0.00 C ATOM 61107 C6 U B2845 59.526 -75.045 29.509 1.00 0.00 C ATOM 61108 P G B2846 57.137 -69.354 33.233 1.00 0.00 P ATOM 61109 O1P G B2846 57.960 -70.296 34.030 1.00 0.00 O ATOM 61110 O2P G B2846 55.852 -68.945 33.847 1.00 0.00 O ATOM 61111 O5* G B2846 58.268 -67.831 32.877 1.00 0.00 O ATOM 61112 C5* G B2846 59.338 -66.566 32.051 1.00 0.00 C ATOM 61113 C4* G B2846 59.568 -66.176 30.293 1.00 0.00 C ATOM 61114 O4* G B2846 59.272 -65.257 29.203 1.00 0.00 O ATOM 61115 C3* G B2846 61.098 -66.193 30.355 1.00 0.00 C ATOM 61116 O3* G B2846 62.146 -65.709 31.383 1.00 0.00 O ATOM 61117 C2* G B2846 61.476 -66.081 28.879 1.00 0.00 C ATOM 61118 O2* G B2846 61.286 -67.320 28.217 1.00 0.00 O ATOM 61119 C1* G B2846 60.404 -65.129 28.359 1.00 0.00 C ATOM 61120 N9 G B2846 59.881 -65.439 26.635 1.00 0.00 N ATOM 61121 C8 G B2846 58.653 -65.835 26.157 1.00 0.00 C ATOM 61122 N7 G B2846 58.597 -65.926 24.849 1.00 0.00 N ATOM 61123 C5 G B2846 59.879 -65.560 24.432 1.00 0.00 C ATOM 61124 C6 G B2846 60.426 -65.470 23.127 1.00 0.00 C ATOM 61125 O6 G B2846 59.885 -65.695 22.049 1.00 0.00 O ATOM 61126 N1 G B2846 61.767 -65.067 23.163 1.00 0.00 N ATOM 61127 C2 G B2846 62.485 -64.785 24.309 1.00 0.00 C ATOM 61128 N2 G B2846 63.753 -64.414 24.135 1.00 0.00 N ATOM 61129 N3 G B2846 61.972 -64.873 25.533 1.00 0.00 N ATOM 61130 C4 G B2846 60.668 -65.267 25.521 1.00 0.00 C ATOM 61131 P U B2847 63.134 -66.959 32.264 1.00 0.00 P ATOM 61132 O1P U B2847 64.484 -66.492 32.650 1.00 0.00 O ATOM 61133 O2P U B2847 63.068 -68.320 31.683 1.00 0.00 O ATOM 61134 O5* U B2847 61.941 -66.503 33.539 1.00 0.00 O ATOM 61135 C5* U B2847 62.077 -65.296 34.354 1.00 0.00 C ATOM 61136 C4* U B2847 62.489 -65.842 35.841 1.00 0.00 C ATOM 61137 O4* U B2847 63.645 -65.510 36.662 1.00 0.00 O ATOM 61138 C3* U B2847 62.211 -67.309 36.175 1.00 0.00 C ATOM 61139 O3* U B2847 61.062 -67.981 35.478 1.00 0.00 O ATOM 61140 C2* U B2847 63.620 -67.868 36.358 1.00 0.00 C ATOM 61141 O2* U B2847 64.255 -68.060 35.105 1.00 0.00 O ATOM 61142 C1* U B2847 64.325 -66.700 37.037 1.00 0.00 C ATOM 61143 N1 U B2847 64.359 -66.782 38.712 1.00 0.00 N ATOM 61144 C2 U B2847 64.458 -68.036 39.275 1.00 0.00 C ATOM 61145 O2 U B2847 64.652 -69.043 38.617 1.00 0.00 O ATOM 61146 N3 U B2847 64.314 -68.082 40.648 1.00 0.00 N ATOM 61147 C4 U B2847 64.093 -67.008 41.486 1.00 0.00 C ATOM 61148 O4 U B2847 63.982 -67.180 42.705 1.00 0.00 O ATOM 61149 C5 U B2847 64.008 -65.740 40.809 1.00 0.00 C ATOM 61150 C6 U B2847 64.141 -65.665 39.475 1.00 0.00 C ATOM 61151 P G B2848 59.569 -68.142 36.527 1.00 0.00 P ATOM 61152 O1P G B2848 59.896 -68.064 37.967 1.00 0.00 O ATOM 61153 O2P G B2848 58.761 -69.310 36.109 1.00 0.00 O ATOM 61154 O5* G B2848 58.813 -66.619 35.861 1.00 0.00 O ATOM 61155 C5* G B2848 57.396 -66.309 35.776 1.00 0.00 C ATOM 61156 C4* G B2848 56.865 -66.023 34.271 1.00 0.00 C ATOM 61157 O4* G B2848 57.905 -65.948 33.257 1.00 0.00 O ATOM 61158 C3* G B2848 55.701 -66.714 33.556 1.00 0.00 C ATOM 61159 O3* G B2848 54.264 -66.572 34.526 1.00 0.00 O ATOM 61160 C2* G B2848 55.814 -66.149 32.141 1.00 0.00 C ATOM 61161 O2* G B2848 55.320 -64.822 32.092 1.00 0.00 O ATOM 61162 C1* G B2848 57.328 -66.063 31.967 1.00 0.00 C ATOM 61163 N9 G B2848 58.315 -67.934 30.858 1.00 0.00 N ATOM 61164 C8 G B2848 58.197 -68.319 29.540 1.00 0.00 C ATOM 61165 N7 G B2848 59.003 -69.294 29.195 1.00 0.00 N ATOM 61166 C5 G B2848 59.708 -69.574 30.366 1.00 0.00 C ATOM 61167 C6 G B2848 60.723 -70.533 30.617 1.00 0.00 C ATOM 61168 O6 G B2848 61.217 -71.349 29.838 1.00 0.00 O ATOM 61169 N1 G B2848 61.161 -70.481 31.943 1.00 0.00 N ATOM 61170 C2 G B2848 60.686 -69.613 32.905 1.00 0.00 C ATOM 61171 N2 G B2848 61.239 -69.720 34.112 1.00 0.00 N ATOM 61172 N3 G B2848 59.735 -68.714 32.675 1.00 0.00 N ATOM 61173 C4 G B2848 59.292 -68.750 31.385 1.00 0.00 C ATOM 61174 P U B2849 52.689 -67.565 35.225 1.00 0.00 P ATOM 61175 O1P U B2849 52.542 -67.023 36.591 1.00 0.00 O ATOM 61176 O2P U B2849 53.015 -69.007 35.143 1.00 0.00 O ATOM 61177 O5* U B2849 50.818 -67.266 34.543 1.00 0.00 O ATOM 61178 C5* U B2849 49.260 -67.000 33.908 1.00 0.00 C ATOM 61179 C4* U B2849 47.993 -65.743 33.431 1.00 0.00 C ATOM 61180 O4* U B2849 48.398 -64.354 33.604 1.00 0.00 O ATOM 61181 C3* U B2849 47.170 -65.728 32.142 1.00 0.00 C ATOM 61182 O3* U B2849 46.294 -66.773 31.448 1.00 0.00 O ATOM 61183 C2* U B2849 46.454 -64.382 32.230 1.00 0.00 C ATOM 61184 O2* U B2849 45.380 -64.444 33.157 1.00 0.00 O ATOM 61185 C1* U B2849 47.527 -63.506 32.867 1.00 0.00 C ATOM 61186 N1 U B2849 48.467 -62.606 31.754 1.00 0.00 N ATOM 61187 C2 U B2849 47.790 -61.790 30.887 1.00 0.00 C ATOM 61188 O2 U B2849 46.574 -61.709 30.868 1.00 0.00 O ATOM 61189 N3 U B2849 48.582 -61.050 30.027 1.00 0.00 N ATOM 61190 C4 U B2849 49.958 -61.067 29.963 1.00 0.00 C ATOM 61191 O4 U B2849 50.557 -60.362 29.149 1.00 0.00 O ATOM 61192 C5 U B2849 50.582 -61.958 30.914 1.00 0.00 C ATOM 61193 C6 U B2849 49.836 -62.689 31.765 1.00 0.00 C ATOM 61194 P A B2850 44.691 -67.200 32.198 1.00 0.00 P ATOM 61195 O1P A B2850 43.935 -68.125 31.329 1.00 0.00 O ATOM 61196 O2P A B2850 43.907 -66.112 32.817 1.00 0.00 O ATOM 61197 O5* A B2850 45.810 -67.858 33.444 1.00 0.00 O ATOM 61198 C5* A B2850 47.171 -68.193 33.846 1.00 0.00 C ATOM 61199 C4* A B2850 47.066 -69.407 34.943 1.00 0.00 C ATOM 61200 O4* A B2850 46.886 -68.853 36.275 1.00 0.00 O ATOM 61201 C3* A B2850 45.818 -70.268 34.731 1.00 0.00 C ATOM 61202 O3* A B2850 46.054 -71.225 33.473 1.00 0.00 O ATOM 61203 C2* A B2850 45.577 -70.831 36.132 1.00 0.00 C ATOM 61204 O2* A B2850 46.484 -71.872 36.420 1.00 0.00 O ATOM 61205 C1* A B2850 45.967 -69.644 37.009 1.00 0.00 C ATOM 61206 N9 A B2850 44.668 -68.654 37.483 1.00 0.00 N ATOM 61207 C8 A B2850 43.394 -68.610 36.968 1.00 0.00 C ATOM 61208 N7 A B2850 42.590 -67.833 37.619 1.00 0.00 N ATOM 61209 C5 A B2850 43.373 -67.326 38.643 1.00 0.00 C ATOM 61210 C6 A B2850 43.097 -66.434 39.694 1.00 0.00 C ATOM 61211 N6 A B2850 41.894 -65.867 39.891 1.00 0.00 N ATOM 61212 N1 A B2850 44.107 -66.139 40.535 1.00 0.00 N ATOM 61213 C2 A B2850 45.298 -66.697 40.336 1.00 0.00 C ATOM 61214 N3 A B2850 45.669 -67.541 39.399 1.00 0.00 N ATOM 61215 C4 A B2850 44.642 -67.820 38.567 1.00 0.00 C ATOM 61216 P A B2851 45.968 -70.448 31.727 1.00 0.00 P ATOM 61217 O1P A B2851 46.567 -69.096 31.788 1.00 0.00 O ATOM 61218 O2P A B2851 44.503 -70.496 31.523 1.00 0.00 O ATOM 61219 O5* A B2851 46.700 -71.313 30.596 1.00 0.00 O ATOM 61220 C5* A B2851 46.919 -70.723 29.299 1.00 0.00 C ATOM 61221 C4* A B2851 47.729 -71.665 28.432 1.00 0.00 C ATOM 61222 O4* A B2851 49.078 -71.767 28.982 1.00 0.00 O ATOM 61223 C3* A B2851 47.243 -73.116 28.383 1.00 0.00 C ATOM 61224 O3* A B2851 46.234 -73.285 27.441 1.00 0.00 O ATOM 61225 C2* A B2851 48.519 -73.870 28.024 1.00 0.00 C ATOM 61226 O2* A B2851 48.821 -73.718 26.648 1.00 0.00 O ATOM 61227 C1* A B2851 49.572 -73.085 28.800 1.00 0.00 C ATOM 61228 N9 A B2851 49.870 -73.652 30.144 1.00 0.00 N ATOM 61229 C8 A B2851 49.498 -73.183 31.385 1.00 0.00 C ATOM 61230 N7 A B2851 49.925 -73.912 32.372 1.00 0.00 N ATOM 61231 C5 A B2851 50.626 -74.937 31.751 1.00 0.00 C ATOM 61232 C6 A B2851 51.323 -76.047 32.258 1.00 0.00 C ATOM 61233 N6 A B2851 51.430 -76.319 33.566 1.00 0.00 N ATOM 61234 N1 A B2851 51.907 -76.868 31.368 1.00 0.00 N ATOM 61235 C2 A B2851 51.795 -76.593 30.069 1.00 0.00 C ATOM 61236 N3 A B2851 51.174 -75.593 29.482 1.00 0.00 N ATOM 61237 C4 A B2851 50.597 -74.786 30.397 1.00 0.00 C ATOM 61238 P G B2852 45.052 -74.371 27.739 1.00 0.00 P ATOM 61239 O1P G B2852 43.906 -74.146 26.828 1.00 0.00 O ATOM 61240 O2P G B2852 44.733 -74.368 29.183 1.00 0.00 O ATOM 61241 O5* G B2852 45.793 -75.736 27.349 1.00 0.00 O ATOM 61242 C5* G B2852 46.272 -75.908 26.004 1.00 0.00 C ATOM 61243 C4* G B2852 47.045 -77.208 25.893 1.00 0.00 C ATOM 61244 O4* G B2852 48.273 -77.091 26.665 1.00 0.00 O ATOM 61245 C3* G B2852 46.360 -78.444 26.476 1.00 0.00 C ATOM 61246 O3* G B2852 45.474 -79.015 25.564 1.00 0.00 O ATOM 61247 C2* G B2852 47.547 -79.351 26.789 1.00 0.00 C ATOM 61248 O2* G B2852 48.056 -79.942 25.605 1.00 0.00 O ATOM 61249 C1* G B2852 48.589 -78.339 27.261 1.00 0.00 C ATOM 61250 N9 G B2852 48.614 -78.150 28.740 1.00 0.00 N ATOM 61251 C8 G B2852 48.151 -77.094 29.489 1.00 0.00 C ATOM 61252 N7 G B2852 48.326 -77.240 30.782 1.00 0.00 N ATOM 61253 C5 G B2852 48.951 -78.481 30.896 1.00 0.00 C ATOM 61254 C6 G B2852 49.389 -79.183 32.046 1.00 0.00 C ATOM 61255 O6 G B2852 49.318 -78.846 33.227 1.00 0.00 O ATOM 61256 N1 G B2852 49.970 -80.412 31.704 1.00 0.00 N ATOM 61257 C2 G B2852 50.109 -80.902 30.421 1.00 0.00 C ATOM 61258 N2 G B2852 50.690 -82.096 30.307 1.00 0.00 N ATOM 61259 N3 G B2852 49.694 -80.243 29.341 1.00 0.00 N ATOM 61260 C4 G B2852 49.130 -79.045 29.653 1.00 0.00 C ATOM 61261 P C B2853 44.114 -79.723 26.129 1.00 0.00 P ATOM 61262 O1P C B2853 43.151 -79.932 25.027 1.00 0.00 O ATOM 61263 O2P C B2853 43.609 -78.960 27.290 1.00 0.00 O ATOM 61264 O5* C B2853 44.694 -81.132 26.617 1.00 0.00 O ATOM 61265 C5* C B2853 45.318 -82.003 25.655 1.00 0.00 C ATOM 61266 C4* C B2853 45.900 -83.216 26.356 1.00 0.00 C ATOM 61267 O4* C B2853 47.017 -82.791 27.190 1.00 0.00 O ATOM 61268 C3* C B2853 44.965 -83.934 27.330 1.00 0.00 C ATOM 61269 O3* C B2853 44.138 -84.841 26.669 1.00 0.00 O ATOM 61270 C2* C B2853 45.952 -84.618 28.275 1.00 0.00 C ATOM 61271 O2* C B2853 46.523 -85.764 27.663 1.00 0.00 O ATOM 61272 C1* C B2853 47.059 -83.572 28.372 1.00 0.00 C ATOM 61273 N1 C B2853 46.909 -82.653 29.536 1.00 0.00 N ATOM 61274 C2 C B2853 47.202 -83.154 30.801 1.00 0.00 C ATOM 61275 O2 C B2853 47.574 -84.329 30.905 1.00 0.00 O ATOM 61276 N3 C B2853 47.074 -82.332 31.873 1.00 0.00 N ATOM 61277 C4 C B2853 46.671 -81.066 31.719 1.00 0.00 C ATOM 61278 N4 C B2853 46.564 -80.306 32.799 1.00 0.00 N ATOM 61279 C5 C B2853 46.363 -80.531 30.428 1.00 0.00 C ATOM 61280 C6 C B2853 46.497 -81.368 29.367 1.00 0.00 C ATOM 61281 P G B2854 42.622 -85.078 27.236 1.00 0.00 P ATOM 61282 O1P G B2854 41.800 -85.769 26.219 1.00 0.00 O ATOM 61283 O2P G B2854 42.084 -83.799 27.745 1.00 0.00 O ATOM 61284 O5* G B2854 42.914 -86.068 28.460 1.00 0.00 O ATOM 61285 C5* G B2854 43.529 -87.341 28.198 1.00 0.00 C ATOM 61286 C4* G B2854 43.823 -88.054 29.502 1.00 0.00 C ATOM 61287 O4* G B2854 44.866 -87.327 30.212 1.00 0.00 O ATOM 61288 C3* G B2854 42.670 -88.116 30.503 1.00 0.00 C ATOM 61289 O3* G B2854 41.813 -89.182 30.232 1.00 0.00 O ATOM 61290 C2* G B2854 43.405 -88.272 31.830 1.00 0.00 C ATOM 61291 O2* G B2854 43.877 -89.599 31.991 1.00 0.00 O ATOM 61292 C1* G B2854 44.629 -87.388 31.612 1.00 0.00 C ATOM 61293 N9 G B2854 44.464 -85.998 32.112 1.00 0.00 N ATOM 61294 C8 G B2854 44.262 -84.834 31.401 1.00 0.00 C ATOM 61295 N7 G B2854 44.152 -83.763 32.150 1.00 0.00 N ATOM 61296 C5 G B2854 44.288 -84.252 33.449 1.00 0.00 C ATOM 61297 C6 G B2854 44.257 -83.567 34.689 1.00 0.00 C ATOM 61298 O6 G B2854 44.102 -82.367 34.907 1.00 0.00 O ATOM 61299 N1 G B2854 44.434 -84.449 35.764 1.00 0.00 N ATOM 61300 C2 G B2854 44.620 -85.812 35.655 1.00 0.00 C ATOM 61301 N2 G B2854 44.769 -86.479 36.802 1.00 0.00 N ATOM 61302 N3 G B2854 44.647 -86.454 34.490 1.00 0.00 N ATOM 61303 C4 G B2854 44.478 -85.615 33.436 1.00 0.00 C ATOM 61304 P C B2855 40.219 -89.005 30.539 1.00 0.00 P ATOM 61305 O1P C B2855 39.448 -90.071 29.862 1.00 0.00 O ATOM 61306 O2P C B2855 39.809 -87.618 30.231 1.00 0.00 O ATOM 61307 O5* C B2855 40.190 -89.240 32.122 1.00 0.00 O ATOM 61308 C5* C B2855 40.639 -90.502 32.648 1.00 0.00 C ATOM 61309 C4* C B2855 40.644 -90.461 34.165 1.00 0.00 C ATOM 61310 O4* C B2855 41.677 -89.532 34.606 1.00 0.00 O ATOM 61311 C3* C B2855 39.368 -89.930 34.818 1.00 0.00 C ATOM 61312 O3* C B2855 38.410 -90.932 34.954 1.00 0.00 O ATOM 61313 C2* C B2855 39.885 -89.426 36.164 1.00 0.00 C ATOM 61314 O2* C B2855 40.129 -90.507 37.047 1.00 0.00 O ATOM 61315 C1* C B2855 41.245 -88.854 35.775 1.00 0.00 C ATOM 61316 N1 C B2855 41.217 -87.393 35.478 1.00 0.00 N ATOM 61317 C2 C B2855 41.102 -86.516 36.551 1.00 0.00 C ATOM 61318 O2 C B2855 41.028 -86.979 37.694 1.00 0.00 O ATOM 61319 N3 C B2855 41.078 -85.182 36.303 1.00 0.00 N ATOM 61320 C4 C B2855 41.161 -84.719 35.047 1.00 0.00 C ATOM 61321 N4 C B2855 41.132 -83.409 34.857 1.00 0.00 N ATOM 61322 C5 C B2855 41.282 -85.607 33.929 1.00 0.00 C ATOM 61323 C6 C B2855 41.306 -86.937 34.201 1.00 0.00 C ATOM 61324 P A B2856 36.832 -90.530 34.818 1.00 0.00 P ATOM 61325 O1P A B2856 36.010 -91.749 34.624 1.00 0.00 O ATOM 61326 O2P A B2856 36.678 -89.478 33.791 1.00 0.00 O ATOM 61327 O5* A B2856 36.552 -89.918 36.271 1.00 0.00 O ATOM 61328 C5* A B2856 36.735 -90.752 37.428 1.00 0.00 C ATOM 61329 C4* A B2856 36.539 -89.941 38.689 1.00 0.00 C ATOM 61330 O4* A B2856 37.626 -88.977 38.805 1.00 0.00 O ATOM 61331 C3* A B2856 35.278 -89.073 38.739 1.00 0.00 C ATOM 61332 O3* A B2856 34.172 -89.806 39.164 1.00 0.00 O ATOM 61333 C2* A B2856 35.676 -87.981 39.728 1.00 0.00 C ATOM 61334 O2* A B2856 35.633 -88.468 41.057 1.00 0.00 O ATOM 61335 C1* A B2856 37.145 -87.770 39.376 1.00 0.00 C ATOM 61336 N9 A B2856 37.376 -86.672 38.398 1.00 0.00 N ATOM 61337 C8 A B2856 37.712 -86.757 37.064 1.00 0.00 C ATOM 61338 N7 A B2856 37.840 -85.606 36.480 1.00 0.00 N ATOM 61339 C5 A B2856 37.579 -84.688 37.488 1.00 0.00 C ATOM 61340 C6 A B2856 37.556 -83.284 37.507 1.00 0.00 C ATOM 61341 N6 A B2856 37.814 -82.524 36.431 1.00 0.00 N ATOM 61342 N1 A B2856 37.255 -82.687 38.675 1.00 0.00 N ATOM 61343 C2 A B2856 37.000 -83.446 39.739 1.00 0.00 C ATOM 61344 N3 A B2856 36.991 -84.756 39.839 1.00 0.00 N ATOM 61345 C4 A B2856 37.294 -85.330 38.658 1.00 0.00 C ATOM 61346 P G B2857 32.652 -89.324 38.257 1.00 0.00 P ATOM 61347 O1P G B2857 31.476 -90.121 38.675 1.00 0.00 O ATOM 61348 O2P G B2857 32.892 -89.242 36.797 1.00 0.00 O ATOM 61349 O5* G B2857 32.672 -87.682 39.036 1.00 0.00 O ATOM 61350 C5* G B2857 33.135 -86.424 39.529 1.00 0.00 C ATOM 61351 C4* G B2857 32.026 -85.235 39.455 1.00 0.00 C ATOM 61352 O4* G B2857 31.431 -84.879 40.734 1.00 0.00 O ATOM 61353 C3* G B2857 32.274 -83.890 38.772 1.00 0.00 C ATOM 61354 O3* G B2857 32.407 -83.915 37.231 1.00 0.00 O ATOM 61355 C2* G B2857 31.070 -83.072 39.232 1.00 0.00 C ATOM 61356 O2* G B2857 29.907 -83.445 38.514 1.00 0.00 O ATOM 61357 C1* G B2857 30.888 -83.567 40.664 1.00 0.00 C ATOM 61358 N9 G B2857 31.657 -82.595 41.866 1.00 0.00 N ATOM 61359 C8 G B2857 32.914 -82.725 42.418 1.00 0.00 C ATOM 61360 N7 G B2857 33.155 -81.884 43.396 1.00 0.00 N ATOM 61361 C5 G B2857 31.978 -81.146 43.498 1.00 0.00 C ATOM 61362 C6 G B2857 31.638 -80.088 44.378 1.00 0.00 C ATOM 61363 O6 G B2857 32.315 -79.573 45.263 1.00 0.00 O ATOM 61364 N1 G B2857 30.337 -79.622 44.139 1.00 0.00 N ATOM 61365 C2 G B2857 29.481 -80.112 43.176 1.00 0.00 C ATOM 61366 N2 G B2857 28.280 -79.531 43.111 1.00 0.00 N ATOM 61367 N3 G B2857 29.799 -81.105 42.351 1.00 0.00 N ATOM 61368 C4 G B2857 31.060 -81.571 42.568 1.00 0.00 C ATOM 61369 P C B2858 33.767 -84.875 36.483 1.00 0.00 P ATOM 61370 O1P C B2858 33.312 -85.777 35.399 1.00 0.00 O ATOM 61371 O2P C B2858 34.632 -85.488 37.512 1.00 0.00 O ATOM 61372 O5* C B2858 34.471 -83.344 35.813 1.00 0.00 O ATOM 61373 C5* C B2858 34.594 -82.452 34.711 1.00 0.00 C ATOM 61374 C4* C B2858 33.333 -81.466 34.502 1.00 0.00 C ATOM 61375 O4* C B2858 32.075 -81.752 35.187 1.00 0.00 O ATOM 61376 C3* C B2858 33.383 -79.937 34.451 1.00 0.00 C ATOM 61377 O3* C B2858 34.400 -79.147 33.628 1.00 0.00 O ATOM 61378 C2* C B2858 31.915 -79.575 34.246 1.00 0.00 C ATOM 61379 O2* C B2858 31.523 -79.803 32.902 1.00 0.00 O ATOM 61380 C1* C B2858 31.214 -80.628 35.103 1.00 0.00 C ATOM 61381 N1 C B2858 30.834 -80.119 36.693 1.00 0.00 N ATOM 61382 C2 C B2858 29.693 -79.343 36.871 1.00 0.00 C ATOM 61383 O2 C B2858 29.005 -79.059 35.881 1.00 0.00 O ATOM 61384 N3 C B2858 29.375 -78.925 38.123 1.00 0.00 N ATOM 61385 C4 C B2858 30.146 -79.252 39.168 1.00 0.00 C ATOM 61386 N4 C B2858 29.794 -78.819 40.365 1.00 0.00 N ATOM 61387 C5 C B2858 31.325 -80.049 39.005 1.00 0.00 C ATOM 61388 C6 C B2858 31.624 -80.458 37.746 1.00 0.00 C ATOM 61389 P G B2859 35.828 -79.927 32.808 1.00 0.00 P ATOM 61390 O1P G B2859 35.504 -80.319 31.418 1.00 0.00 O ATOM 61391 O2P G B2859 36.535 -80.944 33.619 1.00 0.00 O ATOM 61392 O5* G B2859 36.675 -78.319 32.888 1.00 0.00 O ATOM 61393 C5* G B2859 36.242 -77.310 31.975 1.00 0.00 C ATOM 61394 C4* G B2859 35.294 -76.153 32.603 1.00 0.00 C ATOM 61395 O4* G B2859 33.839 -76.159 32.590 1.00 0.00 O ATOM 61396 C3* G B2859 35.648 -75.424 33.897 1.00 0.00 C ATOM 61397 O3* G B2859 37.084 -74.892 33.821 1.00 0.00 O ATOM 61398 C2* G B2859 34.543 -74.370 33.985 1.00 0.00 C ATOM 61399 O2* G B2859 34.792 -73.305 33.086 1.00 0.00 O ATOM 61400 C1* G B2859 33.342 -75.142 33.443 1.00 0.00 C ATOM 61401 N9 G B2859 32.349 -75.885 34.660 1.00 0.00 N ATOM 61402 C8 G B2859 32.634 -76.951 35.483 1.00 0.00 C ATOM 61403 N7 G B2859 31.714 -77.193 36.388 1.00 0.00 N ATOM 61404 C5 G B2859 30.749 -76.211 36.150 1.00 0.00 C ATOM 61405 C6 G B2859 29.521 -75.957 36.805 1.00 0.00 C ATOM 61406 O6 G B2859 29.016 -76.558 37.753 1.00 0.00 O ATOM 61407 N1 G B2859 28.853 -74.867 36.241 1.00 0.00 N ATOM 61408 C2 G B2859 29.315 -74.115 35.177 1.00 0.00 C ATOM 61409 N2 G B2859 28.527 -73.111 34.784 1.00 0.00 N ATOM 61410 N3 G B2859 30.469 -74.351 34.558 1.00 0.00 N ATOM 61411 C4 G B2859 31.128 -75.409 35.098 1.00 0.00 C ATOM 61412 P A B2860 38.104 -75.509 35.175 1.00 0.00 P ATOM 61413 O1P A B2860 39.470 -74.943 35.183 1.00 0.00 O ATOM 61414 O2P A B2860 38.011 -76.977 35.337 1.00 0.00 O ATOM 61415 O5* A B2860 36.944 -74.580 36.202 1.00 0.00 O ATOM 61416 C5* A B2860 35.995 -73.509 35.974 1.00 0.00 C ATOM 61417 C4* A B2860 34.943 -73.419 37.214 1.00 0.00 C ATOM 61418 O4* A B2860 33.810 -74.334 37.229 1.00 0.00 O ATOM 61419 C3* A B2860 35.578 -73.600 38.590 1.00 0.00 C ATOM 61420 O3* A B2860 36.584 -72.505 38.858 1.00 0.00 O ATOM 61421 C2* A B2860 34.358 -73.818 39.480 1.00 0.00 C ATOM 61422 O2* A B2860 33.690 -72.592 39.729 1.00 0.00 O ATOM 61423 C1* A B2860 33.454 -74.637 38.565 1.00 0.00 C ATOM 61424 N9 A B2860 33.564 -76.300 38.777 1.00 0.00 N ATOM 61425 C8 A B2860 33.837 -77.266 37.834 1.00 0.00 C ATOM 61426 N7 A B2860 34.011 -78.454 38.329 1.00 0.00 N ATOM 61427 C5 A B2860 33.851 -78.274 39.695 1.00 0.00 C ATOM 61428 C6 A B2860 33.915 -79.161 40.783 1.00 0.00 C ATOM 61429 N6 A B2860 34.180 -80.472 40.652 1.00 0.00 N ATOM 61430 N1 A B2860 33.705 -78.652 42.010 1.00 0.00 N ATOM 61431 C2 A B2860 33.445 -77.352 42.132 1.00 0.00 C ATOM 61432 N3 A B2860 33.359 -76.430 41.195 1.00 0.00 N ATOM 61433 C4 A B2860 33.577 -76.963 39.978 1.00 0.00 C ATOM 61434 P U B2861 38.320 -72.975 38.589 1.00 0.00 P ATOM 61435 O1P U B2861 39.097 -71.821 39.095 1.00 0.00 O ATOM 61436 O2P U B2861 38.792 -73.559 37.316 1.00 0.00 O ATOM 61437 O5* U B2861 38.241 -74.112 39.713 1.00 0.00 O ATOM 61438 C5* U B2861 37.725 -73.774 41.011 1.00 0.00 C ATOM 61439 C4* U B2861 37.626 -75.018 41.870 1.00 0.00 C ATOM 61440 O4* U B2861 36.598 -75.894 41.320 1.00 0.00 O ATOM 61441 C3* U B2861 38.874 -75.902 41.910 1.00 0.00 C ATOM 61442 O3* U B2861 39.792 -75.449 42.853 1.00 0.00 O ATOM 61443 C2* U B2861 38.291 -77.267 42.263 1.00 0.00 C ATOM 61444 O2* U B2861 37.959 -77.331 43.641 1.00 0.00 O ATOM 61445 C1* U B2861 36.975 -77.250 41.490 1.00 0.00 C ATOM 61446 N1 U B2861 37.066 -77.873 40.141 1.00 0.00 N ATOM 61447 C2 U B2861 37.143 -79.247 40.089 1.00 0.00 C ATOM 61448 O2 U B2861 37.137 -79.947 41.088 1.00 0.00 O ATOM 61449 N3 U B2861 37.225 -79.789 38.823 1.00 0.00 N ATOM 61450 C4 U B2861 37.240 -79.093 37.633 1.00 0.00 C ATOM 61451 O4 U B2861 37.315 -79.691 36.557 1.00 0.00 O ATOM 61452 C5 U B2861 37.156 -77.660 37.786 1.00 0.00 C ATOM 61453 C6 U B2861 37.074 -77.105 39.008 1.00 0.00 C ATOM 61454 P G B2862 41.386 -75.624 42.550 1.00 0.00 P ATOM 61455 O1P G B2862 42.178 -74.774 43.466 1.00 0.00 O ATOM 61456 O2P G B2862 41.636 -75.425 41.104 1.00 0.00 O ATOM 61457 O5* G B2862 41.594 -77.166 42.929 1.00 0.00 O ATOM 61458 C5* G B2862 41.315 -77.599 44.273 1.00 0.00 C ATOM 61459 C4* G B2862 41.455 -79.106 44.375 1.00 0.00 C ATOM 61460 O4* G B2862 40.395 -79.731 43.597 1.00 0.00 O ATOM 61461 C3* G B2862 42.739 -79.692 43.784 1.00 0.00 C ATOM 61462 O3* G B2862 43.793 -79.637 44.694 1.00 0.00 O ATOM 61463 C2* G B2862 42.315 -81.125 43.459 1.00 0.00 C ATOM 61464 O2* G B2862 42.260 -81.909 44.639 1.00 0.00 O ATOM 61465 C1* G B2862 40.876 -80.919 42.994 1.00 0.00 C ATOM 61466 N9 G B2862 40.741 -80.774 41.517 1.00 0.00 N ATOM 61467 C8 G B2862 40.490 -79.639 40.776 1.00 0.00 C ATOM 61468 N7 G B2862 40.431 -79.852 39.480 1.00 0.00 N ATOM 61469 C5 G B2862 40.661 -81.222 39.362 1.00 0.00 C ATOM 61470 C6 G B2862 40.717 -82.040 38.203 1.00 0.00 C ATOM 61471 O6 G B2862 40.575 -81.719 37.026 1.00 0.00 O ATOM 61472 N1 G B2862 40.978 -83.378 38.533 1.00 0.00 N ATOM 61473 C2 G B2862 41.156 -83.862 39.812 1.00 0.00 C ATOM 61474 N2 G B2862 41.394 -85.171 39.919 1.00 0.00 N ATOM 61475 N3 G B2862 41.104 -83.094 40.899 1.00 0.00 N ATOM 61476 C4 G B2862 40.852 -81.793 40.597 1.00 0.00 C ATOM 61477 P C B2863 45.307 -79.401 44.127 1.00 0.00 P ATOM 61478 O1P C B2863 46.212 -79.008 45.231 1.00 0.00 O ATOM 61479 O2P C B2863 45.260 -78.479 42.972 1.00 0.00 O ATOM 61480 O5* C B2863 45.672 -80.877 43.626 1.00 0.00 O ATOM 61481 C5* C B2863 45.684 -81.956 44.581 1.00 0.00 C ATOM 61482 C4* C B2863 45.930 -83.272 43.874 1.00 0.00 C ATOM 61483 O4* C B2863 44.775 -83.582 43.039 1.00 0.00 O ATOM 61484 C3* C B2863 47.106 -83.294 42.895 1.00 0.00 C ATOM 61485 O3* C B2863 48.310 -83.539 43.552 1.00 0.00 O ATOM 61486 C2* C B2863 46.711 -84.422 41.946 1.00 0.00 C ATOM 61487 O2* C B2863 46.927 -85.687 42.547 1.00 0.00 O ATOM 61488 C1* C B2863 45.201 -84.229 41.850 1.00 0.00 C ATOM 61489 N1 C B2863 44.775 -83.393 40.694 1.00 0.00 N ATOM 61490 C2 C B2863 44.829 -83.961 39.425 1.00 0.00 C ATOM 61491 O2 C B2863 45.227 -85.127 39.313 1.00 0.00 O ATOM 61492 N3 C B2863 44.448 -83.216 38.358 1.00 0.00 N ATOM 61493 C4 C B2863 44.025 -81.957 38.523 1.00 0.00 C ATOM 61494 N4 C B2863 43.663 -81.272 37.449 1.00 0.00 N ATOM 61495 C5 C B2863 43.960 -81.351 39.819 1.00 0.00 C ATOM 61496 C6 C B2863 44.346 -82.114 40.873 1.00 0.00 C ATOM 61497 P G B2864 49.669 -82.835 42.987 1.00 0.00 P ATOM 61498 O1P G B2864 50.746 -82.910 44.000 1.00 0.00 O ATOM 61499 O2P G B2864 49.350 -81.476 42.488 1.00 0.00 O ATOM 61500 O5* G B2864 50.017 -83.797 41.754 1.00 0.00 O ATOM 61501 C5* G B2864 50.275 -85.189 42.009 1.00 0.00 C ATOM 61502 C4* G B2864 50.455 -85.928 40.699 1.00 0.00 C ATOM 61503 O4* G B2864 49.184 -85.953 39.992 1.00 0.00 O ATOM 61504 C3* G B2864 51.421 -85.289 39.700 1.00 0.00 C ATOM 61505 O3* G B2864 52.742 -85.645 39.963 1.00 0.00 O ATOM 61506 C2* G B2864 50.916 -85.841 38.367 1.00 0.00 C ATOM 61507 O2* G B2864 51.319 -87.190 38.198 1.00 0.00 O ATOM 61508 C1* G B2864 49.408 -85.855 38.593 1.00 0.00 C ATOM 61509 N9 G B2864 48.718 -84.630 38.103 1.00 0.00 N ATOM 61510 C8 G B2864 48.195 -83.577 38.822 1.00 0.00 C ATOM 61511 N7 G B2864 47.648 -82.642 38.078 1.00 0.00 N ATOM 61512 C5 G B2864 47.826 -83.107 36.777 1.00 0.00 C ATOM 61513 C6 G B2864 47.442 -82.527 35.540 1.00 0.00 C ATOM 61514 O6 G B2864 46.860 -81.468 35.334 1.00 0.00 O ATOM 61515 N1 G B2864 47.817 -83.337 34.459 1.00 0.00 N ATOM 61516 C2 G B2864 48.477 -84.549 34.557 1.00 0.00 C ATOM 61517 N2 G B2864 48.746 -85.168 33.406 1.00 0.00 N ATOM 61518 N3 G B2864 48.836 -85.093 35.718 1.00 0.00 N ATOM 61519 C4 G B2864 48.478 -84.320 36.779 1.00 0.00 C ATOM 61520 P U B2865 53.923 -84.561 39.665 1.00 0.00 P ATOM 61521 O1P U B2865 55.176 -84.968 40.336 1.00 0.00 O ATOM 61522 O2P U B2865 53.436 -83.201 39.981 1.00 0.00 O ATOM 61523 O5* U B2865 54.081 -84.721 38.078 1.00 0.00 O ATOM 61524 C5* U B2865 54.462 -86.002 37.542 1.00 0.00 C ATOM 61525 C4* U B2865 54.431 -85.957 36.028 1.00 0.00 C ATOM 61526 O4* U B2865 53.049 -85.819 35.590 1.00 0.00 O ATOM 61527 C3* U B2865 55.149 -84.775 35.378 1.00 0.00 C ATOM 61528 O3* U B2865 56.511 -85.015 35.240 1.00 0.00 O ATOM 61529 C2* U B2865 54.428 -84.662 34.036 1.00 0.00 C ATOM 61530 O2* U B2865 54.869 -85.675 33.144 1.00 0.00 O ATOM 61531 C1* U B2865 52.995 -85.008 34.426 1.00 0.00 C ATOM 61532 N1 U B2865 52.155 -83.818 34.733 1.00 0.00 N ATOM 61533 C2 U B2865 51.738 -83.052 33.667 1.00 0.00 C ATOM 61534 O2 U B2865 52.030 -83.312 32.512 1.00 0.00 O ATOM 61535 N3 U B2865 50.962 -81.958 33.993 1.00 0.00 N ATOM 61536 C4 U B2865 50.576 -81.572 35.260 1.00 0.00 C ATOM 61537 O4 U B2865 49.878 -80.570 35.424 1.00 0.00 O ATOM 61538 C5 U B2865 51.060 -82.438 36.311 1.00 0.00 C ATOM 61539 C6 U B2865 51.817 -83.507 36.025 1.00 0.00 C ATOM 61540 P U B2866 57.549 -83.761 35.381 1.00 0.00 P ATOM 61541 O1P U B2866 58.930 -84.256 35.569 1.00 0.00 O ATOM 61542 O2P U B2866 57.053 -82.828 36.417 1.00 0.00 O ATOM 61543 O5* U B2866 57.408 -83.091 33.934 1.00 0.00 O ATOM 61544 C5* U B2866 57.752 -83.866 32.769 1.00 0.00 C ATOM 61545 C4* U B2866 57.427 -83.083 31.513 1.00 0.00 C ATOM 61546 O4* U B2866 55.980 -82.951 31.403 1.00 0.00 O ATOM 61547 C3* U B2866 57.933 -81.641 31.472 1.00 0.00 C ATOM 61548 O3* U B2866 59.259 -81.575 31.048 1.00 0.00 O ATOM 61549 C2* U B2866 56.965 -80.987 30.493 1.00 0.00 C ATOM 61550 O2* U B2866 57.281 -81.345 29.158 1.00 0.00 O ATOM 61551 C1* U B2866 55.654 -81.689 30.840 1.00 0.00 C ATOM 61552 N1 U B2866 54.821 -80.945 31.826 1.00 0.00 N ATOM 61553 C2 U B2866 54.167 -79.826 31.375 1.00 0.00 C ATOM 61554 O2 U B2866 54.245 -79.433 30.225 1.00 0.00 O ATOM 61555 N3 U B2866 53.404 -79.163 32.319 1.00 0.00 N ATOM 61556 C4 U B2866 53.249 -79.519 33.642 1.00 0.00 C ATOM 61557 O4 U B2866 52.537 -78.847 34.393 1.00 0.00 O ATOM 61558 C5 U B2866 53.974 -80.708 34.022 1.00 0.00 C ATOM 61559 C6 U B2866 54.723 -81.371 33.127 1.00 0.00 C ATOM 61560 P G B2867 60.583 -81.098 32.233 1.00 0.00 P ATOM 61561 O1P G B2867 61.907 -81.078 31.573 1.00 0.00 O ATOM 61562 O2P G B2867 60.483 -81.933 33.454 1.00 0.00 O ATOM 61563 O5* G B2867 60.015 -79.388 32.538 1.00 0.00 O ATOM 61564 C5* G B2867 59.453 -78.315 33.319 1.00 0.00 C ATOM 61565 C4* G B2867 57.919 -78.125 32.870 1.00 0.00 C ATOM 61566 O4* G B2867 57.505 -78.590 31.550 1.00 0.00 O ATOM 61567 C3* G B2867 56.729 -77.305 33.361 1.00 0.00 C ATOM 61568 O3* G B2867 56.689 -76.444 34.648 1.00 0.00 O ATOM 61569 C2* G B2867 56.234 -76.652 32.075 1.00 0.00 C ATOM 61570 O2* G B2867 57.072 -75.572 31.701 1.00 0.00 O ATOM 61571 C1* G B2867 56.459 -77.766 31.056 1.00 0.00 C ATOM 61572 N9 G B2867 56.894 -77.225 29.493 1.00 0.00 N ATOM 61573 C8 G B2867 56.528 -76.066 28.840 1.00 0.00 C ATOM 61574 N7 G B2867 56.962 -75.993 27.606 1.00 0.00 N ATOM 61575 C5 G B2867 57.663 -77.187 27.428 1.00 0.00 C ATOM 61576 C6 G B2867 58.357 -77.676 26.290 1.00 0.00 C ATOM 61577 O6 G B2867 58.505 -77.152 25.192 1.00 0.00 O ATOM 61578 N1 G B2867 58.926 -78.937 26.544 1.00 0.00 N ATOM 61579 C2 G B2867 58.834 -79.621 27.740 1.00 0.00 C ATOM 61580 N2 G B2867 59.452 -80.810 27.780 1.00 0.00 N ATOM 61581 N3 G B2867 58.189 -79.162 28.803 1.00 0.00 N ATOM 61582 C4 G B2867 57.629 -77.943 28.575 1.00 0.00 C ATOM 61583 P A B2868 55.779 -77.107 36.124 1.00 0.00 P ATOM 61584 O1P A B2868 56.583 -76.906 37.344 1.00 0.00 O ATOM 61585 O2P A B2868 55.335 -78.493 35.864 1.00 0.00 O ATOM 61586 O5* A B2868 54.335 -75.959 36.203 1.00 0.00 O ATOM 61587 C5* A B2868 53.536 -74.834 36.701 1.00 0.00 C ATOM 61588 C4* A B2868 54.044 -73.553 35.870 1.00 0.00 C ATOM 61589 O4* A B2868 54.523 -73.942 34.549 1.00 0.00 O ATOM 61590 C3* A B2868 53.636 -72.089 35.698 1.00 0.00 C ATOM 61591 O3* A B2868 53.115 -70.982 36.653 1.00 0.00 O ATOM 61592 C2* A B2868 54.689 -71.578 34.715 1.00 0.00 C ATOM 61593 O2* A B2868 55.927 -71.362 35.377 1.00 0.00 O ATOM 61594 C1* A B2868 54.877 -72.788 33.805 1.00 0.00 C ATOM 61595 N9 A B2868 53.944 -72.760 32.389 1.00 0.00 N ATOM 61596 C8 A B2868 53.044 -71.809 31.982 1.00 0.00 C ATOM 61597 N7 A B2868 52.609 -71.974 30.770 1.00 0.00 N ATOM 61598 C5 A B2868 53.264 -73.117 30.334 1.00 0.00 C ATOM 61599 C6 A B2868 53.236 -73.819 29.121 1.00 0.00 C ATOM 61600 N6 A B2868 52.480 -73.457 28.077 1.00 0.00 N ATOM 61601 N1 A B2868 54.012 -74.916 29.024 1.00 0.00 N ATOM 61602 C2 A B2868 54.755 -75.272 30.062 1.00 0.00 C ATOM 61603 N3 A B2868 54.867 -74.695 31.246 1.00 0.00 N ATOM 61604 C4 A B2868 54.081 -73.602 31.315 1.00 0.00 C ATOM 61605 P G B2869 53.385 -70.714 38.457 1.00 0.00 P ATOM 61606 O1P G B2869 54.488 -71.530 39.009 1.00 0.00 O ATOM 61607 O2P G B2869 52.072 -70.878 39.123 1.00 0.00 O ATOM 61608 O5* G B2869 53.834 -68.910 38.444 1.00 0.00 O ATOM 61609 C5* G B2869 54.187 -67.753 39.311 1.00 0.00 C ATOM 61610 C4* G B2869 54.237 -66.204 38.750 1.00 0.00 C ATOM 61611 O4* G B2869 53.112 -65.285 38.812 1.00 0.00 O ATOM 61612 C3* G B2869 55.414 -65.321 38.329 1.00 0.00 C ATOM 61613 O3* G B2869 56.753 -65.105 39.002 1.00 0.00 O ATOM 61614 C2* G B2869 54.746 -64.337 37.372 1.00 0.00 C ATOM 61615 O2* G B2869 54.496 -64.943 36.113 1.00 0.00 O ATOM 61616 C1* G B2869 53.394 -64.125 38.040 1.00 0.00 C ATOM 61617 N9 G B2869 53.311 -62.723 39.096 1.00 0.00 N ATOM 61618 C8 G B2869 52.326 -62.367 39.986 1.00 0.00 C ATOM 61619 N7 G B2869 52.546 -61.225 40.597 1.00 0.00 N ATOM 61620 C5 G B2869 53.764 -60.799 40.070 1.00 0.00 C ATOM 61621 C6 G B2869 54.525 -59.628 40.340 1.00 0.00 C ATOM 61622 O6 G B2869 54.265 -58.713 41.118 1.00 0.00 O ATOM 61623 N1 G B2869 55.699 -59.595 39.583 1.00 0.00 N ATOM 61624 C2 G B2869 56.096 -60.560 38.678 1.00 0.00 C ATOM 61625 N2 G B2869 57.254 -60.341 38.051 1.00 0.00 N ATOM 61626 N3 G B2869 55.385 -61.658 38.423 1.00 0.00 N ATOM 61627 C4 G B2869 54.239 -61.707 39.147 1.00 0.00 C ATOM 61628 P C B2870 58.000 -64.113 38.062 1.00 0.00 P ATOM 61629 O1P C B2870 59.171 -64.981 37.770 1.00 0.00 O ATOM 61630 O2P C B2870 58.301 -62.855 38.781 1.00 0.00 O ATOM 61631 O5* C B2870 57.063 -63.763 36.509 1.00 0.00 O ATOM 61632 C5* C B2870 56.802 -63.422 35.093 1.00 0.00 C ATOM 61633 C4* C B2870 55.316 -62.810 34.848 1.00 0.00 C ATOM 61634 O4* C B2870 54.952 -61.876 35.904 1.00 0.00 O ATOM 61635 C3* C B2870 54.431 -62.396 33.674 1.00 0.00 C ATOM 61636 O3* C B2870 54.717 -62.887 32.173 1.00 0.00 O ATOM 61637 C2* C B2870 53.136 -61.983 34.374 1.00 0.00 C ATOM 61638 O2* C B2870 52.403 -63.123 34.791 1.00 0.00 O ATOM 61639 C1* C B2870 53.673 -61.318 35.638 1.00 0.00 C ATOM 61640 N1 C B2870 53.836 -59.627 35.538 1.00 0.00 N ATOM 61641 C2 C B2870 52.685 -58.877 35.327 1.00 0.00 C ATOM 61642 O2 C B2870 51.608 -59.467 35.186 1.00 0.00 O ATOM 61643 N3 C B2870 52.785 -57.521 35.273 1.00 0.00 N ATOM 61644 C4 C B2870 53.975 -56.924 35.433 1.00 0.00 C ATOM 61645 N4 C B2870 54.022 -55.599 35.376 1.00 0.00 N ATOM 61646 C5 C B2870 55.176 -57.677 35.653 1.00 0.00 C ATOM 61647 C6 C B2870 55.049 -59.025 35.694 1.00 0.00 C ATOM 61648 P U B2871 53.935 -63.433 30.501 1.00 0.00 P ATOM 61649 O1P U B2871 55.018 -63.234 29.513 1.00 0.00 O ATOM 61650 O2P U B2871 52.690 -62.676 30.251 1.00 0.00 O ATOM 61651 O5* U B2871 53.541 -65.317 30.378 1.00 0.00 O ATOM 61652 C5* U B2871 52.451 -66.497 30.233 1.00 0.00 C ATOM 61653 C4* U B2871 51.936 -67.979 31.031 1.00 0.00 C ATOM 61654 O4* U B2871 51.068 -68.054 32.196 1.00 0.00 O ATOM 61655 C3* U B2871 52.623 -69.344 30.998 1.00 0.00 C ATOM 61656 O3* U B2871 53.894 -69.529 30.198 1.00 0.00 O ATOM 61657 C2* U B2871 52.804 -69.653 32.481 1.00 0.00 C ATOM 61658 O2* U B2871 53.877 -68.901 33.024 1.00 0.00 O ATOM 61659 C1* U B2871 51.519 -69.081 33.070 1.00 0.00 C ATOM 61660 N1 U B2871 50.272 -70.204 33.261 1.00 0.00 N ATOM 61661 C2 U B2871 50.360 -71.055 34.333 1.00 0.00 C ATOM 61662 O2 U B2871 51.242 -70.978 35.171 1.00 0.00 O ATOM 61663 N3 U B2871 49.371 -72.017 34.409 1.00 0.00 N ATOM 61664 C4 U B2871 48.333 -72.196 33.520 1.00 0.00 C ATOM 61665 O4 U B2871 47.504 -73.095 33.690 1.00 0.00 O ATOM 61666 C5 U B2871 48.323 -71.248 32.428 1.00 0.00 C ATOM 61667 C6 U B2871 49.272 -70.305 32.332 1.00 0.00 C ATOM 61668 P A B2872 54.619 -67.926 29.725 1.00 0.00 P ATOM 61669 O1P A B2872 53.915 -67.378 28.542 1.00 0.00 O ATOM 61670 O2P A B2872 56.094 -68.004 29.617 1.00 0.00 O ATOM 61671 O5* A B2872 54.155 -67.112 31.318 1.00 0.00 O ATOM 61672 C5* A B2872 53.683 -66.466 32.608 1.00 0.00 C ATOM 61673 C4* A B2872 52.722 -65.099 33.055 1.00 0.00 C ATOM 61674 O4* A B2872 52.202 -64.866 31.715 1.00 0.00 O ATOM 61675 C3* A B2872 51.491 -65.496 33.865 1.00 0.00 C ATOM 61676 O3* A B2872 51.582 -65.168 35.477 1.00 0.00 O ATOM 61677 C2* A B2872 50.402 -64.614 33.248 1.00 0.00 C ATOM 61678 O2* A B2872 50.523 -63.277 33.703 1.00 0.00 O ATOM 61679 C1* A B2872 50.809 -64.618 31.774 1.00 0.00 C ATOM 61680 N9 A B2872 50.001 -65.806 30.801 1.00 0.00 N ATOM 61681 C8 A B2872 49.101 -66.774 31.202 1.00 0.00 C ATOM 61682 N7 A B2872 48.819 -67.641 30.282 1.00 0.00 N ATOM 61683 C5 A B2872 49.580 -67.234 29.194 1.00 0.00 C ATOM 61684 C6 A B2872 49.722 -67.750 27.893 1.00 0.00 C ATOM 61685 N6 A B2872 49.074 -68.834 27.453 1.00 0.00 N ATOM 61686 N1 A B2872 50.558 -67.099 27.063 1.00 0.00 N ATOM 61687 C2 A B2872 51.196 -66.018 27.502 1.00 0.00 C ATOM 61688 N3 A B2872 51.142 -65.451 28.690 1.00 0.00 N ATOM 61689 C4 A B2872 50.301 -66.120 29.501 1.00 0.00 C ATOM 61690 P A B2873 50.180 -65.226 36.750 1.00 0.00 P ATOM 61691 O1P A B2873 49.603 -66.585 36.812 1.00 0.00 O ATOM 61692 O2P A B2873 49.240 -64.135 36.415 1.00 0.00 O ATOM 61693 O5* A B2873 50.888 -64.872 38.467 1.00 0.00 O ATOM 61694 C5* A B2873 50.864 -65.380 39.892 1.00 0.00 C ATOM 61695 C4* A B2873 51.380 -64.599 41.285 1.00 0.00 C ATOM 61696 O4* A B2873 50.510 -64.736 42.442 1.00 0.00 O ATOM 61697 C3* A B2873 52.790 -64.622 41.875 1.00 0.00 C ATOM 61698 O3* A B2873 54.133 -64.446 41.113 1.00 0.00 O ATOM 61699 C2* A B2873 52.593 -63.886 43.197 1.00 0.00 C ATOM 61700 O2* A B2873 52.492 -62.486 42.986 1.00 0.00 O ATOM 61701 C1* A B2873 51.214 -64.367 43.620 1.00 0.00 C ATOM 61702 N9 A B2873 51.222 -65.694 44.673 1.00 0.00 N ATOM 61703 C8 A B2873 50.872 -67.004 44.407 1.00 0.00 C ATOM 61704 N7 A B2873 50.818 -67.760 45.460 1.00 0.00 N ATOM 61705 C5 A B2873 51.157 -66.907 46.501 1.00 0.00 C ATOM 61706 C6 A B2873 51.279 -67.110 47.889 1.00 0.00 C ATOM 61707 N6 A B2873 51.065 -68.285 48.487 1.00 0.00 N ATOM 61708 N1 A B2873 51.629 -66.046 48.638 1.00 0.00 N ATOM 61709 C2 A B2873 51.843 -64.876 48.036 1.00 0.00 C ATOM 61710 N3 A B2873 51.756 -64.570 46.759 1.00 0.00 N ATOM 61711 C4 A B2873 51.403 -65.647 46.027 1.00 0.00 C ATOM 61712 P C B2874 55.638 -63.971 42.054 1.00 0.00 P ATOM 61713 O1P C B2874 55.196 -62.852 42.914 1.00 0.00 O ATOM 61714 O2P C B2874 56.954 -63.798 41.400 1.00 0.00 O ATOM 61715 O5* C B2874 55.627 -65.334 42.895 1.00 0.00 O ATOM 61716 C5* C B2874 54.364 -65.887 43.307 1.00 0.00 C ATOM 61717 C4* C B2874 54.579 -67.232 43.974 1.00 0.00 C ATOM 61718 O4* C B2874 55.043 -68.185 42.973 1.00 0.00 O ATOM 61719 C3* C B2874 55.665 -67.275 45.051 1.00 0.00 C ATOM 61720 O3* C B2874 55.174 -66.860 46.287 1.00 0.00 O ATOM 61721 C2* C B2874 56.068 -68.749 45.044 1.00 0.00 C ATOM 61722 O2* C B2874 55.096 -69.540 45.704 1.00 0.00 O ATOM 61723 C1* C B2874 55.973 -69.084 43.555 1.00 0.00 C ATOM 61724 N1 C B2874 57.265 -68.945 42.831 1.00 0.00 N ATOM 61725 C2 C B2874 58.235 -69.923 43.037 1.00 0.00 C ATOM 61726 O2 C B2874 57.985 -70.856 43.810 1.00 0.00 O ATOM 61727 N3 C B2874 59.421 -69.815 42.384 1.00 0.00 N ATOM 61728 C4 C B2874 59.652 -68.789 41.558 1.00 0.00 C ATOM 61729 N4 C B2874 60.826 -68.731 40.941 1.00 0.00 N ATOM 61730 C5 C B2874 58.671 -67.775 41.327 1.00 0.00 C ATOM 61731 C6 C B2874 57.491 -67.899 41.990 1.00 0.00 C ATOM 61732 P C B2875 56.173 -66.055 47.299 1.00 0.00 P ATOM 61733 O1P C B2875 55.391 -65.392 48.367 1.00 0.00 O ATOM 61734 O2P C B2875 57.063 -65.174 46.511 1.00 0.00 O ATOM 61735 O5* C B2875 57.013 -67.266 47.918 1.00 0.00 O ATOM 61736 C5* C B2875 56.322 -68.296 48.650 1.00 0.00 C ATOM 61737 C4* C B2875 57.288 -69.397 49.035 1.00 0.00 C ATOM 61738 O4* C B2875 57.719 -70.088 47.826 1.00 0.00 O ATOM 61739 C3* C B2875 58.596 -68.943 49.684 1.00 0.00 C ATOM 61740 O3* C B2875 58.443 -68.741 51.054 1.00 0.00 O ATOM 61741 C2* C B2875 59.535 -70.099 49.358 1.00 0.00 C ATOM 61742 O2* C B2875 59.273 -71.212 50.199 1.00 0.00 O ATOM 61743 C1* C B2875 59.075 -70.484 47.956 1.00 0.00 C ATOM 61744 N1 C B2875 59.854 -69.827 46.869 1.00 0.00 N ATOM 61745 C2 C B2875 61.145 -70.290 46.626 1.00 0.00 C ATOM 61746 O2 C B2875 61.584 -71.219 47.316 1.00 0.00 O ATOM 61747 N3 C B2875 61.871 -69.705 45.640 1.00 0.00 N ATOM 61748 C4 C B2875 61.357 -68.702 44.914 1.00 0.00 C ATOM 61749 N4 C B2875 62.105 -68.165 43.965 1.00 0.00 N ATOM 61750 C5 C B2875 60.032 -68.214 45.151 1.00 0.00 C ATOM 61751 C6 C B2875 59.323 -68.811 46.140 1.00 0.00 C ATOM 61752 P G B2876 59.306 -67.558 51.774 1.00 0.00 P ATOM 61753 O1P G B2876 58.748 -67.260 53.114 1.00 0.00 O ATOM 61754 O2P G B2876 59.421 -66.406 50.855 1.00 0.00 O ATOM 61755 O5* G B2876 60.727 -68.274 51.927 1.00 0.00 O ATOM 61756 C5* G B2876 60.821 -69.478 52.713 1.00 0.00 C ATOM 61757 C4* G B2876 62.224 -70.048 52.617 1.00 0.00 C ATOM 61758 O4* G B2876 62.449 -70.524 51.261 1.00 0.00 O ATOM 61759 C3* G B2876 63.364 -69.059 52.857 1.00 0.00 C ATOM 61760 O3* G B2876 63.632 -68.903 54.214 1.00 0.00 O ATOM 61761 C2* G B2876 64.519 -69.713 52.097 1.00 0.00 C ATOM 61762 O2* G B2876 65.048 -70.804 52.833 1.00 0.00 O ATOM 61763 C1* G B2876 63.799 -70.298 50.888 1.00 0.00 C ATOM 61764 N9 G B2876 63.807 -69.404 49.695 1.00 0.00 N ATOM 61765 C8 G B2876 62.781 -68.652 49.168 1.00 0.00 C ATOM 61766 N7 G B2876 63.121 -67.963 48.102 1.00 0.00 N ATOM 61767 C5 G B2876 64.465 -68.284 47.914 1.00 0.00 C ATOM 61768 C6 G B2876 65.376 -67.844 46.920 1.00 0.00 C ATOM 61769 O6 G B2876 65.187 -67.073 45.985 1.00 0.00 O ATOM 61770 N1 G B2876 66.645 -68.416 47.104 1.00 0.00 N ATOM 61771 C2 G B2876 66.986 -69.294 48.114 1.00 0.00 C ATOM 61772 N2 G B2876 68.250 -69.724 48.115 1.00 0.00 N ATOM 61773 N3 G B2876 66.128 -69.703 49.047 1.00 0.00 N ATOM 61774 C4 G B2876 64.892 -69.158 48.885 1.00 0.00 C ATOM 61775 P G B2877 64.124 -67.443 54.755 1.00 0.00 P ATOM 61776 O1P G B2877 64.001 -67.376 56.228 1.00 0.00 O ATOM 61777 O2P G B2877 63.428 -66.379 54.002 1.00 0.00 O ATOM 61778 O5* G B2877 65.672 -67.475 54.343 1.00 0.00 O ATOM 61779 C5* G B2877 66.519 -68.503 54.898 1.00 0.00 C ATOM 61780 C4* G B2877 67.900 -68.419 54.278 1.00 0.00 C ATOM 61781 O4* G B2877 67.810 -68.791 52.872 1.00 0.00 O ATOM 61782 C3* G B2877 68.537 -67.030 54.253 1.00 0.00 C ATOM 61783 O3* G B2877 69.172 -66.737 55.457 1.00 0.00 O ATOM 61784 C2* G B2877 69.515 -67.147 53.084 1.00 0.00 C ATOM 61785 O2* G B2877 70.663 -67.885 53.464 1.00 0.00 O ATOM 61786 C1* G B2877 68.727 -68.019 52.113 1.00 0.00 C ATOM 61787 N9 G B2877 67.950 -67.242 51.105 1.00 0.00 N ATOM 61788 C8 G B2877 66.592 -67.018 51.039 1.00 0.00 C ATOM 61789 N7 G B2877 66.222 -66.284 50.015 1.00 0.00 N ATOM 61790 C5 G B2877 67.423 -66.001 49.360 1.00 0.00 C ATOM 61791 C6 G B2877 67.664 -65.247 48.188 1.00 0.00 C ATOM 61792 O6 G B2877 66.859 -64.659 47.470 1.00 0.00 O ATOM 61793 N1 G B2877 69.029 -65.213 47.872 1.00 0.00 N ATOM 61794 C2 G B2877 70.029 -65.830 48.597 1.00 0.00 C ATOM 61795 N2 G B2877 71.271 -65.679 48.132 1.00 0.00 N ATOM 61796 N3 G B2877 69.801 -66.541 49.698 1.00 0.00 N ATOM 61797 C4 G B2877 68.480 -66.583 50.019 1.00 0.00 C ATOM 61798 P U B2878 69.176 -65.190 55.986 1.00 0.00 P ATOM 61799 O1P U B2878 69.558 -65.140 57.415 1.00 0.00 O ATOM 61800 O2P U B2878 67.890 -64.550 55.639 1.00 0.00 O ATOM 61801 O5* U B2878 70.349 -64.572 55.090 1.00 0.00 O ATOM 61802 C5* U B2878 71.677 -65.116 55.204 1.00 0.00 C ATOM 61803 C4* U B2878 72.592 -64.471 54.184 1.00 0.00 C ATOM 61804 O4* U B2878 72.180 -64.885 52.848 1.00 0.00 O ATOM 61805 C3* U B2878 72.549 -62.944 54.121 1.00 0.00 C ATOM 61806 O3* U B2878 73.384 -62.371 55.079 1.00 0.00 O ATOM 61807 C2* U B2878 73.014 -62.666 52.691 1.00 0.00 C ATOM 61808 O2* U B2878 74.418 -62.830 52.579 1.00 0.00 O ATOM 61809 C1* U B2878 72.368 -63.816 51.933 1.00 0.00 C ATOM 61810 N1 U B2878 71.043 -63.478 51.341 1.00 0.00 N ATOM 61811 C2 U B2878 71.044 -62.672 50.230 1.00 0.00 C ATOM 61812 O2 U B2878 72.069 -62.237 49.726 1.00 0.00 O ATOM 61813 N3 U B2878 69.800 -62.378 49.709 1.00 0.00 N ATOM 61814 C4 U B2878 68.584 -62.812 50.196 1.00 0.00 C ATOM 61815 O4 U B2878 67.533 -62.482 49.646 1.00 0.00 O ATOM 61816 C5 U B2878 68.685 -63.652 51.365 1.00 0.00 C ATOM 61817 C6 U B2878 69.884 -63.956 51.892 1.00 0.00 C ATOM 61818 P A B2879 72.114 -61.829 56.353 1.00 0.00 P ATOM 61819 O1P A B2879 72.733 -61.395 57.626 1.00 0.00 O ATOM 61820 O2P A B2879 71.007 -62.805 56.479 1.00 0.00 O ATOM 61821 O5* A B2879 71.570 -60.440 55.285 1.00 0.00 O ATOM 61822 C5* A B2879 71.143 -59.259 54.539 1.00 0.00 C ATOM 61823 C4* A B2879 72.099 -57.950 54.769 1.00 0.00 C ATOM 61824 O4* A B2879 72.126 -56.686 54.042 1.00 0.00 O ATOM 61825 C3* A B2879 72.333 -57.542 56.225 1.00 0.00 C ATOM 61826 O3* A B2879 72.824 -58.939 56.695 1.00 0.00 O ATOM 61827 C2* A B2879 73.314 -56.381 56.079 1.00 0.00 C ATOM 61828 O2* A B2879 74.617 -56.857 55.795 1.00 0.00 O ATOM 61829 C1* A B2879 72.803 -55.705 54.808 1.00 0.00 C ATOM 61830 N9 A B2879 71.760 -54.430 55.069 1.00 0.00 N ATOM 61831 C8 A B2879 71.234 -53.553 54.147 1.00 0.00 C ATOM 61832 N7 A B2879 70.596 -52.553 54.674 1.00 0.00 N ATOM 61833 C5 A B2879 70.695 -52.772 56.042 1.00 0.00 C ATOM 61834 C6 A B2879 70.219 -52.061 57.154 1.00 0.00 C ATOM 61835 N6 A B2879 69.512 -50.928 57.061 1.00 0.00 N ATOM 61836 N1 A B2879 70.484 -52.571 58.373 1.00 0.00 N ATOM 61837 C2 A B2879 71.187 -53.697 58.463 1.00 0.00 C ATOM 61838 N3 A B2879 71.693 -54.444 57.497 1.00 0.00 N ATOM 61839 C4 A B2879 71.402 -53.918 56.287 1.00 0.00 C ATOM 61840 P C B2880 74.519 -59.579 56.073 1.00 0.00 P ATOM 61841 O1P C B2880 74.695 -61.050 56.124 1.00 0.00 O ATOM 61842 O2P C B2880 75.194 -58.816 57.146 1.00 0.00 O ATOM 61843 O5* C B2880 74.982 -59.029 54.643 1.00 0.00 O ATOM 61844 C5* C B2880 76.205 -59.525 54.067 1.00 0.00 C ATOM 61845 C4* C B2880 76.381 -58.972 52.666 1.00 0.00 C ATOM 61846 O4* C B2880 75.356 -59.539 51.802 1.00 0.00 O ATOM 61847 C3* C B2880 76.190 -57.460 52.519 1.00 0.00 C ATOM 61848 O3* C B2880 77.359 -56.764 52.830 1.00 0.00 O ATOM 61849 C2* C B2880 75.799 -57.330 51.049 1.00 0.00 C ATOM 61850 O2* C B2880 76.933 -57.471 50.213 1.00 0.00 O ATOM 61851 C1* C B2880 74.944 -58.578 50.847 1.00 0.00 C ATOM 61852 N1 C B2880 73.483 -58.337 51.037 1.00 0.00 N ATOM 61853 C2 C B2880 72.804 -57.650 50.036 1.00 0.00 C ATOM 61854 O2 C B2880 73.433 -57.269 49.040 1.00 0.00 O ATOM 61855 N3 C B2880 71.475 -57.422 50.189 1.00 0.00 N ATOM 61856 C4 C B2880 70.829 -57.850 51.282 1.00 0.00 C ATOM 61857 N4 C B2880 69.534 -57.603 51.383 1.00 0.00 N ATOM 61858 C5 C B2880 71.511 -58.562 52.323 1.00 0.00 C ATOM 61859 C6 C B2880 72.838 -58.778 52.149 1.00 0.00 C ATOM 61860 P U B2881 77.229 -55.296 53.535 1.00 0.00 P ATOM 61861 O1P U B2881 78.533 -54.894 54.108 1.00 0.00 O ATOM 61862 O2P U B2881 76.085 -55.297 54.471 1.00 0.00 O ATOM 61863 O5* U B2881 76.893 -54.384 52.264 1.00 0.00 O ATOM 61864 C5* U B2881 77.842 -54.314 51.184 1.00 0.00 C ATOM 61865 C4* U B2881 77.263 -53.498 50.041 1.00 0.00 C ATOM 61866 O4* U B2881 76.148 -54.230 49.455 1.00 0.00 O ATOM 61867 C3* U B2881 76.658 -52.149 50.427 1.00 0.00 C ATOM 61868 O3* U B2881 77.629 -51.156 50.509 1.00 0.00 O ATOM 61869 C2* U B2881 75.664 -51.910 49.292 1.00 0.00 C ATOM 61870 O2* U B2881 76.335 -51.497 48.115 1.00 0.00 O ATOM 61871 C1* U B2881 75.145 -53.321 49.037 1.00 0.00 C ATOM 61872 N1 U B2881 73.892 -53.642 49.778 1.00 0.00 N ATOM 61873 C2 U B2881 72.731 -53.072 49.323 1.00 0.00 C ATOM 61874 O2 U B2881 72.691 -52.330 48.353 1.00 0.00 O ATOM 61875 N3 U B2881 71.592 -53.392 50.031 1.00 0.00 N ATOM 61876 C4 U B2881 71.522 -54.216 51.138 1.00 0.00 C ATOM 61877 O4 U B2881 70.441 -54.429 51.693 1.00 0.00 O ATOM 61878 C5 U B2881 72.792 -54.768 51.543 1.00 0.00 C ATOM 61879 C6 U B2881 73.917 -54.471 50.869 1.00 0.00 C ATOM 61880 P A B2882 77.451 -49.969 51.618 1.00 0.00 P ATOM 61881 O1P A B2882 78.726 -49.243 51.798 1.00 0.00 O ATOM 61882 O2P A B2882 76.848 -50.531 52.847 1.00 0.00 O ATOM 61883 O5* A B2882 76.393 -49.026 50.876 1.00 0.00 O ATOM 61884 C5* A B2882 76.743 -48.442 49.606 1.00 0.00 C ATOM 61885 C4* A B2882 75.557 -47.694 49.034 1.00 0.00 C ATOM 61886 O4* A B2882 74.521 -48.654 48.681 1.00 0.00 O ATOM 61887 C3* A B2882 74.852 -46.729 49.991 1.00 0.00 C ATOM 61888 O3* A B2882 75.486 -45.489 50.022 1.00 0.00 O ATOM 61889 C2* A B2882 73.448 -46.658 49.395 1.00 0.00 C ATOM 61890 O2* A B2882 73.434 -45.839 48.239 1.00 0.00 O ATOM 61891 C1* A B2882 73.242 -48.093 48.923 1.00 0.00 C ATOM 61892 N9 A B2882 72.543 -48.956 49.919 1.00 0.00 N ATOM 61893 C8 A B2882 73.062 -49.947 50.722 1.00 0.00 C ATOM 61894 N7 A B2882 72.185 -50.516 51.490 1.00 0.00 N ATOM 61895 C5 A B2882 70.996 -49.865 51.184 1.00 0.00 C ATOM 61896 C6 A B2882 69.686 -50.007 51.664 1.00 0.00 C ATOM 61897 N6 A B2882 69.336 -50.903 52.599 1.00 0.00 N ATOM 61898 N1 A B2882 68.744 -49.200 51.143 1.00 0.00 N ATOM 61899 C2 A B2882 69.099 -48.313 50.214 1.00 0.00 C ATOM 61900 N3 A B2882 70.284 -48.088 49.692 1.00 0.00 N ATOM 61901 C4 A B2882 71.212 -48.911 50.226 1.00 0.00 C ATOM 61902 P A B2883 77.270 -45.116 50.235 1.00 0.00 P ATOM 61903 O1P A B2883 77.615 -43.872 49.509 1.00 0.00 O ATOM 61904 O2P A B2883 78.134 -46.284 49.955 1.00 0.00 O ATOM 61905 O5* A B2883 77.123 -44.758 52.025 1.00 0.00 O ATOM 61906 C5* A B2883 77.541 -43.955 53.163 1.00 0.00 C ATOM 61907 C4* A B2883 76.532 -42.687 53.459 1.00 0.00 C ATOM 61908 O4* A B2883 75.835 -42.282 52.250 1.00 0.00 O ATOM 61909 C3* A B2883 75.419 -42.818 54.497 1.00 0.00 C ATOM 61910 O3* A B2883 75.860 -42.905 55.977 1.00 0.00 O ATOM 61911 C2* A B2883 74.468 -41.688 54.098 1.00 0.00 C ATOM 61912 O2* A B2883 74.981 -40.429 54.512 1.00 0.00 O ATOM 61913 C1* A B2883 74.576 -41.725 52.579 1.00 0.00 C ATOM 61914 N9 A B2883 73.386 -42.623 51.816 1.00 0.00 N ATOM 61915 C8 A B2883 72.283 -42.169 51.112 1.00 0.00 C ATOM 61916 N7 A B2883 71.445 -43.106 50.795 1.00 0.00 N ATOM 61917 C5 A B2883 72.014 -44.261 51.302 1.00 0.00 C ATOM 61918 C6 A B2883 71.609 -45.601 51.290 1.00 0.00 C ATOM 61919 N6 A B2883 70.476 -46.026 50.725 1.00 0.00 N ATOM 61920 N1 A B2883 72.415 -46.498 51.896 1.00 0.00 N ATOM 61921 C2 A B2883 73.544 -46.076 52.464 1.00 0.00 C ATOM 61922 N3 A B2883 74.020 -44.854 52.532 1.00 0.00 N ATOM 61923 C4 A B2883 73.199 -43.976 51.925 1.00 0.00 C ATOM 61924 P U B2884 74.630 -42.432 57.266 1.00 0.00 P ATOM 61925 O1P U B2884 73.540 -43.431 57.186 1.00 0.00 O ATOM 61926 O2P U B2884 74.220 -41.017 57.183 1.00 0.00 O ATOM 61927 O5* U B2884 75.655 -42.686 58.777 1.00 0.00 O ATOM 61928 C5* U B2884 76.322 -42.261 60.010 1.00 0.00 C ATOM 61929 C4* U B2884 75.881 -42.947 61.440 1.00 0.00 C ATOM 61930 O4* U B2884 75.453 -42.048 62.503 1.00 0.00 O ATOM 61931 C3* U B2884 74.845 -44.072 61.465 1.00 0.00 C ATOM 61932 O3* U B2884 73.754 -44.077 60.315 1.00 0.00 O ATOM 61933 C2* U B2884 74.546 -44.196 62.958 1.00 0.00 C ATOM 61934 O2* U B2884 75.599 -44.882 63.624 1.00 0.00 O ATOM 61935 C1* U B2884 74.606 -42.744 63.410 1.00 0.00 C ATOM 61936 N1 U B2884 73.102 -41.952 63.453 1.00 0.00 N ATOM 61937 C2 U B2884 72.064 -42.618 64.064 1.00 0.00 C ATOM 61938 O2 U B2884 72.215 -43.659 64.682 1.00 0.00 O ATOM 61939 N3 U B2884 70.823 -42.030 63.936 1.00 0.00 N ATOM 61940 C4 U B2884 70.537 -40.860 63.264 1.00 0.00 C ATOM 61941 O4 U B2884 69.380 -40.430 63.212 1.00 0.00 O ATOM 61942 C5 U B2884 71.686 -40.236 62.653 1.00 0.00 C ATOM 61943 C6 U B2884 72.904 -40.787 62.763 1.00 0.00 C ATOM 61944 P G B2885 73.463 -45.498 59.203 1.00 0.00 P ATOM 61945 O1P G B2885 72.951 -46.624 60.012 1.00 0.00 O ATOM 61946 O2P G B2885 74.667 -45.784 58.392 1.00 0.00 O ATOM 61947 O5* G B2885 72.097 -44.834 58.143 1.00 0.00 O ATOM 61948 C5* G B2885 71.241 -44.066 57.214 1.00 0.00 C ATOM 61949 C4* G B2885 70.484 -44.827 55.982 1.00 0.00 C ATOM 61950 O4* G B2885 69.141 -44.467 55.545 1.00 0.00 O ATOM 61951 C3* G B2885 71.165 -45.340 54.707 1.00 0.00 C ATOM 61952 O3* G B2885 72.572 -45.868 54.794 1.00 0.00 O ATOM 61953 C2* G B2885 70.010 -46.051 54.001 1.00 0.00 C ATOM 61954 O2* G B2885 69.745 -47.303 54.607 1.00 0.00 O ATOM 61955 C1* G B2885 68.832 -45.139 54.336 1.00 0.00 C ATOM 61956 N9 G B2885 68.477 -43.963 53.143 1.00 0.00 N ATOM 61957 C8 G B2885 68.696 -42.603 53.170 1.00 0.00 C ATOM 61958 N7 G B2885 68.320 -41.983 52.078 1.00 0.00 N ATOM 61959 C5 G B2885 67.819 -43.006 51.272 1.00 0.00 C ATOM 61960 C6 G B2885 67.270 -42.951 49.964 1.00 0.00 C ATOM 61961 O6 G B2885 67.106 -41.974 49.237 1.00 0.00 O ATOM 61962 N1 G B2885 66.891 -44.224 49.520 1.00 0.00 N ATOM 61963 C2 G B2885 67.026 -45.398 50.233 1.00 0.00 C ATOM 61964 N2 G B2885 66.602 -46.509 49.632 1.00 0.00 N ATOM 61965 N3 G B2885 67.544 -45.449 51.462 1.00 0.00 N ATOM 61966 C4 G B2885 67.916 -44.219 51.914 1.00 0.00 C ATOM 61967 P A B2886 72.860 -47.656 54.891 1.00 0.00 P ATOM 61968 O1P A B2886 72.858 -48.365 53.595 1.00 0.00 O ATOM 61969 O2P A B2886 72.071 -48.289 55.975 1.00 0.00 O ATOM 61970 O5* A B2886 74.542 -47.167 55.374 1.00 0.00 O ATOM 61971 C5* A B2886 75.083 -47.401 56.674 1.00 0.00 C ATOM 61972 C4* A B2886 74.591 -48.875 57.130 1.00 0.00 C ATOM 61973 O4* A B2886 75.267 -49.915 56.369 1.00 0.00 O ATOM 61974 C3* A B2886 74.530 -49.449 58.551 1.00 0.00 C ATOM 61975 O3* A B2886 73.346 -48.800 59.312 1.00 0.00 O ATOM 61976 C2* A B2886 74.310 -50.937 58.286 1.00 0.00 C ATOM 61977 O2* A B2886 72.968 -51.185 57.911 1.00 0.00 O ATOM 61978 C1* A B2886 75.168 -51.157 57.045 1.00 0.00 C ATOM 61979 N9 A B2886 76.711 -51.709 57.354 1.00 0.00 N ATOM 61980 C8 A B2886 77.896 -51.005 57.314 1.00 0.00 C ATOM 61981 N7 A B2886 78.954 -51.747 57.400 1.00 0.00 N ATOM 61982 C5 A B2886 78.452 -53.035 57.510 1.00 0.00 C ATOM 61983 C6 A B2886 79.079 -54.286 57.635 1.00 0.00 C ATOM 61984 N6 A B2886 80.407 -54.450 57.668 1.00 0.00 N ATOM 61985 N1 A B2886 78.285 -55.372 57.718 1.00 0.00 N ATOM 61986 C2 A B2886 76.963 -55.203 57.680 1.00 0.00 C ATOM 61987 N3 A B2886 76.271 -54.091 57.571 1.00 0.00 N ATOM 61988 C4 A B2886 77.088 -53.023 57.487 1.00 0.00 C ATOM 61989 P A B2887 72.815 -49.285 60.986 1.00 0.00 P ATOM 61990 O1P A B2887 73.688 -48.718 62.042 1.00 0.00 O ATOM 61991 O2P A B2887 72.527 -50.731 61.100 1.00 0.00 O ATOM 61992 O5* A B2887 71.312 -48.264 60.791 1.00 0.00 O ATOM 61993 C5* A B2887 70.111 -47.486 60.583 1.00 0.00 C ATOM 61994 C4* A B2887 70.213 -45.898 60.199 1.00 0.00 C ATOM 61995 O4* A B2887 71.016 -44.965 60.983 1.00 0.00 O ATOM 61996 C3* A B2887 69.258 -44.989 59.423 1.00 0.00 C ATOM 61997 O3* A B2887 68.976 -44.694 57.867 1.00 0.00 O ATOM 61998 C2* A B2887 68.979 -43.879 60.436 1.00 0.00 C ATOM 61999 O2* A B2887 68.072 -44.326 61.426 1.00 0.00 O ATOM 62000 C1* A B2887 70.343 -43.736 61.109 1.00 0.00 C ATOM 62001 N9 A B2887 71.310 -42.541 60.471 1.00 0.00 N ATOM 62002 C8 A B2887 72.646 -42.297 60.706 1.00 0.00 C ATOM 62003 N7 A B2887 73.113 -41.280 60.047 1.00 0.00 N ATOM 62004 C5 A B2887 72.029 -40.817 59.326 1.00 0.00 C ATOM 62005 C6 A B2887 71.878 -39.746 58.424 1.00 0.00 C ATOM 62006 N6 A B2887 72.875 -38.919 58.088 1.00 0.00 N ATOM 62007 N1 A B2887 70.657 -39.559 57.880 1.00 0.00 N ATOM 62008 C2 A B2887 69.672 -40.387 58.217 1.00 0.00 C ATOM 62009 N3 A B2887 69.697 -41.411 59.045 1.00 0.00 N ATOM 62010 C4 A B2887 70.925 -41.576 59.578 1.00 0.00 C ATOM 62011 P C B2888 67.098 -44.340 57.618 1.00 0.00 P ATOM 62012 O1P C B2888 67.146 -44.644 59.065 1.00 0.00 O ATOM 62013 O2P C B2888 66.150 -45.149 56.819 1.00 0.00 O ATOM 62014 O5* C B2888 66.792 -42.783 57.403 1.00 0.00 O ATOM 62015 C5* C B2888 65.902 -42.388 56.342 1.00 0.00 C ATOM 62016 C4* C B2888 65.655 -40.891 56.399 1.00 0.00 C ATOM 62017 O4* C B2888 64.894 -40.586 57.604 1.00 0.00 O ATOM 62018 C3* C B2888 66.905 -40.016 56.522 1.00 0.00 C ATOM 62019 O3* C B2888 67.481 -39.771 55.277 1.00 0.00 O ATOM 62020 C2* C B2888 66.350 -38.756 57.176 1.00 0.00 C ATOM 62021 O2* C B2888 65.647 -37.968 56.231 1.00 0.00 O ATOM 62022 C1* C B2888 65.309 -39.335 58.130 1.00 0.00 C ATOM 62023 N1 C B2888 65.827 -39.566 59.508 1.00 0.00 N ATOM 62024 C2 C B2888 66.022 -38.450 60.323 1.00 0.00 C ATOM 62025 O2 C B2888 65.762 -37.330 59.871 1.00 0.00 O ATOM 62026 N3 C B2888 66.492 -38.639 61.584 1.00 0.00 N ATOM 62027 C4 C B2888 66.761 -39.872 62.034 1.00 0.00 C ATOM 62028 N4 C B2888 67.218 -40.000 63.271 1.00 0.00 N ATOM 62029 C5 C B2888 66.563 -41.027 61.214 1.00 0.00 C ATOM 62030 C6 C B2888 66.095 -40.820 59.958 1.00 0.00 C ATOM 62031 P C B2889 69.104 -39.633 55.176 1.00 0.00 P ATOM 62032 O1P C B2889 69.539 -39.743 53.766 1.00 0.00 O ATOM 62033 O2P C B2889 69.738 -40.579 56.122 1.00 0.00 O ATOM 62034 O5* C B2889 69.313 -38.132 55.692 1.00 0.00 O ATOM 62035 C5* C B2889 68.697 -37.056 54.966 1.00 0.00 C ATOM 62036 C4* C B2889 68.916 -35.744 55.693 1.00 0.00 C ATOM 62037 O4* C B2889 68.168 -35.769 56.942 1.00 0.00 O ATOM 62038 C3* C B2889 70.353 -35.460 56.133 1.00 0.00 C ATOM 62039 O3* C B2889 71.100 -34.891 55.104 1.00 0.00 O ATOM 62040 C2* C B2889 70.146 -34.505 57.305 1.00 0.00 C ATOM 62041 O2* C B2889 69.816 -33.204 56.844 1.00 0.00 O ATOM 62042 C1* C B2889 68.887 -35.076 57.950 1.00 0.00 C ATOM 62043 N1 C B2889 69.165 -36.037 59.057 1.00 0.00 N ATOM 62044 C2 C B2889 69.608 -35.515 60.270 1.00 0.00 C ATOM 62045 O2 C B2889 69.751 -34.293 60.378 1.00 0.00 O ATOM 62046 N3 C B2889 69.867 -36.373 61.290 1.00 0.00 N ATOM 62047 C4 C B2889 69.701 -37.694 61.132 1.00 0.00 C ATOM 62048 N4 C B2889 69.966 -38.487 62.158 1.00 0.00 N ATOM 62049 C5 C B2889 69.245 -38.248 59.893 1.00 0.00 C ATOM 62050 C6 C B2889 68.992 -37.374 58.884 1.00 0.00 C ATOM 62051 P G B2890 72.793 -34.231 55.405 1.00 0.00 P ATOM 62052 O1P G B2890 72.768 -33.281 56.537 1.00 0.00 O ATOM 62053 O2P G B2890 73.397 -33.722 54.150 1.00 0.00 O ATOM 62054 O5* G B2890 73.568 -35.837 55.866 1.00 0.00 O ATOM 62055 C5* G B2890 74.842 -35.812 56.571 1.00 0.00 C ATOM 62056 C4* G B2890 75.907 -37.052 56.604 1.00 0.00 C ATOM 62057 O4* G B2890 75.757 -38.382 56.028 1.00 0.00 O ATOM 62058 C3* G B2890 77.031 -37.213 57.627 1.00 0.00 C ATOM 62059 O3* G B2890 78.512 -36.816 57.195 1.00 0.00 O ATOM 62060 C2* G B2890 76.765 -38.615 58.171 1.00 0.00 C ATOM 62061 O2* G B2890 75.672 -38.608 59.068 1.00 0.00 O ATOM 62062 C1* G B2890 76.305 -39.348 56.912 1.00 0.00 C ATOM 62063 N9 G B2890 77.553 -40.201 56.080 1.00 0.00 N ATOM 62064 C8 G B2890 78.147 -39.911 54.871 1.00 0.00 C ATOM 62065 N7 G B2890 79.122 -40.726 54.550 1.00 0.00 N ATOM 62066 C5 G B2890 79.176 -41.619 55.619 1.00 0.00 C ATOM 62067 C6 G B2890 80.035 -42.727 55.845 1.00 0.00 C ATOM 62068 O6 G B2890 80.936 -43.160 55.128 1.00 0.00 O ATOM 62069 N1 G B2890 79.747 -43.356 57.059 1.00 0.00 N ATOM 62070 C2 G B2890 78.761 -42.973 57.952 1.00 0.00 C ATOM 62071 N2 G B2890 78.646 -43.701 59.059 1.00 0.00 N ATOM 62072 N3 G B2890 77.957 -41.928 57.739 1.00 0.00 N ATOM 62073 C4 G B2890 78.222 -41.307 56.560 1.00 0.00 C ATOM 62074 P U B2891 79.635 -35.976 58.358 1.00 0.00 P ATOM 62075 O1P U B2891 79.563 -36.491 59.743 1.00 0.00 O ATOM 62076 O2P U B2891 79.486 -34.516 58.203 1.00 0.00 O ATOM 62077 O5* U B2891 81.115 -36.572 57.455 1.00 0.00 O ATOM 62078 C5* U B2891 82.207 -36.271 56.536 1.00 0.00 C ATOM 62079 C4* U B2891 83.213 -37.470 56.104 1.00 0.00 C ATOM 62080 O4* U B2891 82.795 -38.470 55.136 1.00 0.00 O ATOM 62081 C3* U B2891 84.740 -37.541 56.072 1.00 0.00 C ATOM 62082 O3* U B2891 85.839 -36.531 55.570 1.00 0.00 O ATOM 62083 C2* U B2891 84.990 -39.028 55.857 1.00 0.00 C ATOM 62084 O2* U B2891 84.782 -39.753 57.059 1.00 0.00 O ATOM 62085 C1* U B2891 83.848 -39.400 54.915 1.00 0.00 C ATOM 62086 N1 U B2891 84.250 -39.367 53.272 1.00 0.00 N ATOM 62087 C2 U B2891 85.173 -40.289 52.837 1.00 0.00 C ATOM 62088 O2 U B2891 85.661 -41.137 53.568 1.00 0.00 O ATOM 62089 N3 U B2891 85.516 -40.197 51.502 1.00 0.00 N ATOM 62090 C4 U B2891 85.028 -39.281 50.591 1.00 0.00 C ATOM 62091 O4 U B2891 85.413 -39.301 49.422 1.00 0.00 O ATOM 62092 C5 U B2891 84.070 -38.351 51.142 1.00 0.00 C ATOM 62093 C6 U B2891 83.714 -38.423 52.439 1.00 0.00 C ATOM 62094 P G B2892 85.564 -35.223 54.312 1.00 0.00 P ATOM 62095 O1P G B2892 84.248 -34.564 54.488 1.00 0.00 O ATOM 62096 O2P G B2892 85.881 -35.669 52.937 1.00 0.00 O ATOM 62097 O5* G B2892 86.906 -34.187 55.008 1.00 0.00 O ATOM 62098 C5* G B2892 87.402 -32.848 55.272 1.00 0.00 C ATOM 62099 C4* G B2892 88.726 -32.720 56.224 1.00 0.00 C ATOM 62100 O4* G B2892 89.061 -33.878 57.036 1.00 0.00 O ATOM 62101 C3* G B2892 90.081 -32.224 55.710 1.00 0.00 C ATOM 62102 O3* G B2892 90.148 -30.874 54.947 1.00 0.00 O ATOM 62103 C2* G B2892 90.991 -32.499 56.909 1.00 0.00 C ATOM 62104 O2* G B2892 90.794 -31.533 57.924 1.00 0.00 O ATOM 62105 C1* G B2892 90.421 -33.815 57.431 1.00 0.00 C ATOM 62106 N9 G B2892 91.221 -35.223 56.848 1.00 0.00 N ATOM 62107 C8 G B2892 90.680 -36.411 56.414 1.00 0.00 C ATOM 62108 N7 G B2892 91.565 -37.342 56.148 1.00 0.00 N ATOM 62109 C5 G B2892 92.784 -36.722 56.424 1.00 0.00 C ATOM 62110 C6 G B2892 94.110 -37.232 56.326 1.00 0.00 C ATOM 62111 O6 G B2892 94.477 -38.344 55.971 1.00 0.00 O ATOM 62112 N1 G B2892 95.052 -36.265 56.705 1.00 0.00 N ATOM 62113 C2 G B2892 94.758 -34.985 57.123 1.00 0.00 C ATOM 62114 N2 G B2892 95.801 -34.216 57.442 1.00 0.00 N ATOM 62115 N3 G B2892 93.518 -34.507 57.218 1.00 0.00 N ATOM 62116 C4 G B2892 92.590 -35.430 56.854 1.00 0.00 C ATOM 62117 P A B2893 90.490 -29.296 55.830 1.00 0.00 P ATOM 62118 O1P A B2893 91.735 -29.380 56.623 1.00 0.00 O ATOM 62119 O2P A B2893 89.297 -28.807 56.557 1.00 0.00 O ATOM 62120 O5* A B2893 90.801 -28.306 54.320 1.00 0.00 O ATOM 62121 C5* A B2893 91.472 -27.126 53.811 1.00 0.00 C ATOM 62122 C4* A B2893 91.944 -26.026 54.925 1.00 0.00 C ATOM 62123 O4* A B2893 91.946 -26.431 56.323 1.00 0.00 O ATOM 62124 C3* A B2893 93.199 -25.164 54.793 1.00 0.00 C ATOM 62125 O3* A B2893 93.228 -24.229 53.568 1.00 0.00 O ATOM 62126 C2* A B2893 93.237 -24.446 56.141 1.00 0.00 C ATOM 62127 O2* A B2893 92.282 -23.405 56.183 1.00 0.00 O ATOM 62128 C1* A B2893 92.748 -25.542 57.080 1.00 0.00 C ATOM 62129 N9 A B2893 93.975 -26.433 57.823 1.00 0.00 N ATOM 62130 C8 A B2893 94.326 -27.751 57.610 1.00 0.00 C ATOM 62131 N7 A B2893 95.206 -28.203 58.451 1.00 0.00 N ATOM 62132 C5 A B2893 95.468 -27.120 59.282 1.00 0.00 C ATOM 62133 C6 A B2893 96.320 -26.952 60.377 1.00 0.00 C ATOM 62134 N6 A B2893 97.106 -27.926 60.861 1.00 0.00 N ATOM 62135 N1 A B2893 96.332 -25.744 60.976 1.00 0.00 N ATOM 62136 C2 A B2893 95.554 -24.780 60.496 1.00 0.00 C ATOM 62137 N3 A B2893 94.718 -24.821 59.479 1.00 0.00 N ATOM 62138 C4 A B2893 94.719 -26.038 58.903 1.00 0.00 C ATOM 62139 P G B2894 94.563 -24.562 52.364 1.00 0.00 P ATOM 62140 O1P G B2894 94.148 -24.327 50.961 1.00 0.00 O ATOM 62141 O2P G B2894 95.175 -25.880 52.643 1.00 0.00 O ATOM 62142 O5* G B2894 95.553 -23.162 52.987 1.00 0.00 O ATOM 62143 C5* G B2894 96.181 -21.855 53.083 1.00 0.00 C ATOM 62144 C4* G B2894 97.662 -21.775 52.375 1.00 0.00 C ATOM 62145 O4* G B2894 98.198 -23.100 52.094 1.00 0.00 O ATOM 62146 C3* G B2894 97.931 -20.986 51.089 1.00 0.00 C ATOM 62147 O3* G B2894 97.854 -19.424 51.160 1.00 0.00 O ATOM 62148 C2* G B2894 99.277 -21.557 50.641 1.00 0.00 C ATOM 62149 O2* G B2894 100.331 -21.029 51.422 1.00 0.00 O ATOM 62150 C1* G B2894 99.128 -23.028 51.028 1.00 0.00 C ATOM 62151 N9 G B2894 98.571 -24.061 49.746 1.00 0.00 N ATOM 62152 C8 G B2894 97.694 -23.780 48.718 1.00 0.00 C ATOM 62153 N7 G B2894 97.560 -24.752 47.852 1.00 0.00 N ATOM 62154 C5 G B2894 98.405 -25.747 48.335 1.00 0.00 C ATOM 62155 C6 G B2894 98.687 -27.040 47.820 1.00 0.00 C ATOM 62156 O6 G B2894 98.232 -27.583 46.810 1.00 0.00 O ATOM 62157 N1 G B2894 99.610 -27.721 48.619 1.00 0.00 N ATOM 62158 C2 G B2894 100.189 -27.227 49.774 1.00 0.00 C ATOM 62159 N2 G B2894 101.045 -28.034 50.397 1.00 0.00 N ATOM 62160 N3 G B2894 99.929 -26.011 50.253 1.00 0.00 N ATOM 62161 C4 G B2894 99.032 -25.334 49.486 1.00 0.00 C ATOM 62162 P G B2895 96.706 -18.392 50.136 1.00 0.00 P ATOM 62163 O1P G B2895 97.365 -17.194 49.571 1.00 0.00 O ATOM 62164 O2P G B2895 95.441 -18.148 50.866 1.00 0.00 O ATOM 62165 O5* G B2895 96.465 -19.474 48.981 1.00 0.00 O ATOM 62166 C5* G B2895 96.347 -20.863 49.339 1.00 0.00 C ATOM 62167 C4* G B2895 96.002 -21.687 48.117 1.00 0.00 C ATOM 62168 O4* G B2895 94.653 -21.344 47.685 1.00 0.00 O ATOM 62169 C3* G B2895 96.861 -21.434 46.878 1.00 0.00 C ATOM 62170 O3* G B2895 98.040 -22.175 46.912 1.00 0.00 O ATOM 62171 C2* G B2895 95.927 -21.865 45.747 1.00 0.00 C ATOM 62172 O2* G B2895 95.863 -23.279 45.660 1.00 0.00 O ATOM 62173 C1* G B2895 94.573 -21.390 46.268 1.00 0.00 C ATOM 62174 N9 G B2895 94.188 -20.037 45.783 1.00 0.00 N ATOM 62175 C8 G B2895 94.173 -18.840 46.465 1.00 0.00 C ATOM 62176 N7 G B2895 93.775 -17.818 45.740 1.00 0.00 N ATOM 62177 C5 G B2895 93.511 -18.380 44.494 1.00 0.00 C ATOM 62178 C6 G B2895 93.046 -17.773 43.298 1.00 0.00 C ATOM 62179 O6 G B2895 92.773 -16.593 43.090 1.00 0.00 O ATOM 62180 N1 G B2895 92.911 -18.712 42.267 1.00 0.00 N ATOM 62181 C2 G B2895 93.187 -20.061 42.376 1.00 0.00 C ATOM 62182 N2 G B2895 92.993 -20.790 41.274 1.00 0.00 N ATOM 62183 N3 G B2895 93.619 -20.631 43.497 1.00 0.00 N ATOM 62184 C4 G B2895 93.757 -19.734 44.509 1.00 0.00 C ATOM 62185 P C B2896 99.389 -21.532 46.258 1.00 0.00 P ATOM 62186 O1P C B2896 100.585 -22.280 46.709 1.00 0.00 O ATOM 62187 O2P C B2896 99.412 -20.072 46.506 1.00 0.00 O ATOM 62188 O5* C B2896 99.130 -21.815 44.704 1.00 0.00 O ATOM 62189 C5* C B2896 98.986 -23.172 44.255 1.00 0.00 C ATOM 62190 C4* C B2896 98.626 -23.201 42.782 1.00 0.00 C ATOM 62191 O4* C B2896 97.286 -22.651 42.615 1.00 0.00 O ATOM 62192 C3* C B2896 99.494 -22.333 41.871 1.00 0.00 C ATOM 62193 O3* C B2896 100.657 -22.998 41.490 1.00 0.00 O ATOM 62194 C2* C B2896 98.557 -22.067 40.696 1.00 0.00 C ATOM 62195 O2* C B2896 98.465 -23.209 39.858 1.00 0.00 O ATOM 62196 C1* C B2896 97.212 -21.924 41.400 1.00 0.00 C ATOM 62197 N1 C B2896 96.853 -20.516 41.725 1.00 0.00 N ATOM 62198 C2 C B2896 96.447 -19.690 40.680 1.00 0.00 C ATOM 62199 O2 C B2896 96.401 -20.155 39.537 1.00 0.00 O ATOM 62200 N3 C B2896 96.117 -18.404 40.958 1.00 0.00 N ATOM 62201 C4 C B2896 96.182 -17.936 42.210 1.00 0.00 C ATOM 62202 N4 C B2896 95.848 -16.674 42.428 1.00 0.00 N ATOM 62203 C5 C B2896 96.597 -18.769 43.301 1.00 0.00 C ATOM 62204 C6 C B2896 96.923 -20.053 43.004 1.00 0.00 C ATOM 62205 P U B2897 102.024 -22.129 41.275 1.00 0.00 P ATOM 62206 O1P U B2897 103.202 -23.024 41.241 1.00 0.00 O ATOM 62207 O2P U B2897 102.071 -21.035 42.271 1.00 0.00 O ATOM 62208 O5* U B2897 101.764 -21.521 39.816 1.00 0.00 O ATOM 62209 C5* U B2897 101.592 -22.419 38.706 1.00 0.00 C ATOM 62210 C4* U B2897 101.236 -21.641 37.456 1.00 0.00 C ATOM 62211 O4* U B2897 99.910 -21.064 37.623 1.00 0.00 O ATOM 62212 C3* U B2897 102.125 -20.433 37.149 1.00 0.00 C ATOM 62213 O3* U B2897 103.276 -20.810 36.461 1.00 0.00 O ATOM 62214 C2* U B2897 101.197 -19.558 36.312 1.00 0.00 C ATOM 62215 O2* U B2897 101.087 -20.064 34.993 1.00 0.00 O ATOM 62216 C1* U B2897 99.855 -19.794 36.994 1.00 0.00 C ATOM 62217 N1 U B2897 99.525 -18.780 38.031 1.00 0.00 N ATOM 62218 C2 U B2897 99.145 -17.533 37.590 1.00 0.00 C ATOM 62219 O2 U B2897 99.072 -17.240 36.410 1.00 0.00 O ATOM 62220 N3 U B2897 98.847 -16.620 38.585 1.00 0.00 N ATOM 62221 C4 U B2897 98.894 -16.843 39.944 1.00 0.00 C ATOM 62222 O4 U B2897 98.605 -15.942 40.737 1.00 0.00 O ATOM 62223 C5 U B2897 99.303 -18.176 40.308 1.00 0.00 C ATOM 62224 C6 U B2897 99.598 -19.086 39.364 1.00 0.00 C ATOM 62225 P U B2898 104.662 -19.989 36.740 1.00 0.00 P ATOM 62226 O1P U B2898 105.821 -20.745 36.217 1.00 0.00 O ATOM 62227 O2P U B2898 104.729 -19.608 38.167 1.00 0.00 O ATOM 62228 O5* U B2898 104.419 -18.685 35.841 1.00 0.00 O ATOM 62229 C5* U B2898 104.233 -18.837 34.424 1.00 0.00 C ATOM 62230 C4* U B2898 103.898 -17.499 33.798 1.00 0.00 C ATOM 62231 O4* U B2898 102.582 -17.078 34.257 1.00 0.00 O ATOM 62232 C3* U B2898 104.812 -16.334 34.181 1.00 0.00 C ATOM 62233 O3* U B2898 105.959 -16.302 33.391 1.00 0.00 O ATOM 62234 C2* U B2898 103.905 -15.127 33.957 1.00 0.00 C ATOM 62235 O2* U B2898 103.788 -14.837 32.576 1.00 0.00 O ATOM 62236 C1* U B2898 102.553 -15.668 34.414 1.00 0.00 C ATOM 62237 N1 U B2898 102.240 -15.370 35.840 1.00 0.00 N ATOM 62238 C2 U B2898 101.888 -14.078 36.146 1.00 0.00 C ATOM 62239 O2 U B2898 101.825 -13.192 35.310 1.00 0.00 O ATOM 62240 N3 U B2898 101.606 -13.838 37.475 1.00 0.00 N ATOM 62241 C4 U B2898 101.645 -14.761 38.499 1.00 0.00 C ATOM 62242 O4 U B2898 101.371 -14.428 39.656 1.00 0.00 O ATOM 62243 C5 U B2898 102.026 -16.091 38.084 1.00 0.00 C ATOM 62244 C6 U B2898 102.305 -16.350 36.793 1.00 0.00 C ATOM 62245 P A B2899 107.356 -15.785 34.057 1.00 0.00 P ATOM 62246 O1P A B2899 108.502 -16.163 33.196 1.00 0.00 O ATOM 62247 O2P A B2899 107.429 -16.237 35.463 1.00 0.00 O ATOM 62248 O5* A B2899 107.145 -14.201 34.009 1.00 0.00 O ATOM 62249 C5* A B2899 106.959 -13.557 32.734 1.00 0.00 C ATOM 62250 C4* A B2899 106.654 -12.088 32.931 1.00 0.00 C ATOM 62251 O4* A B2899 105.345 -11.957 33.559 1.00 0.00 O ATOM 62252 C3* A B2899 107.592 -11.335 33.876 1.00 0.00 C ATOM 62253 O3* A B2899 108.739 -10.900 33.220 1.00 0.00 O ATOM 62254 C2* A B2899 106.710 -10.179 34.348 1.00 0.00 C ATOM 62255 O2* A B2899 106.601 -9.187 33.341 1.00 0.00 O ATOM 62256 C1* A B2899 105.344 -10.856 34.453 1.00 0.00 C ATOM 62257 N9 A B2899 105.034 -11.368 35.815 1.00 0.00 N ATOM 62258 C8 A B2899 105.023 -12.667 36.271 1.00 0.00 C ATOM 62259 N7 A B2899 104.708 -12.784 37.523 1.00 0.00 N ATOM 62260 C5 A B2899 104.492 -11.478 37.938 1.00 0.00 C ATOM 62261 C6 A B2899 104.124 -10.921 39.174 1.00 0.00 C ATOM 62262 N6 A B2899 103.900 -11.655 40.275 1.00 0.00 N ATOM 62263 N1 A B2899 103.995 -9.584 39.240 1.00 0.00 N ATOM 62264 C2 A B2899 104.220 -8.864 38.143 1.00 0.00 C ATOM 62265 N3 A B2899 104.566 -9.266 36.940 1.00 0.00 N ATOM 62266 C4 A B2899 104.688 -10.610 36.902 1.00 0.00 C ATOM 62267 P A B2900 110.146 -10.852 34.046 1.00 0.00 P ATOM 62268 O1P A B2900 111.286 -10.729 33.112 1.00 0.00 O ATOM 62269 O2P A B2900 110.204 -11.995 34.984 1.00 0.00 O ATOM 62270 O5* A B2900 109.966 -9.487 34.864 1.00 0.00 O ATOM 62271 C5* A B2900 109.798 -8.256 34.140 1.00 0.00 C ATOM 62272 C4* A B2900 109.523 -7.122 35.105 1.00 0.00 C ATOM 62273 O4* A B2900 108.214 -7.327 35.712 1.00 0.00 O ATOM 62274 C3* A B2900 110.470 -7.015 36.299 1.00 0.00 C ATOM 62275 O3* A B2900 111.629 -6.317 35.972 1.00 0.00 O ATOM 62276 C2* A B2900 109.612 -6.281 37.327 1.00 0.00 C ATOM 62277 O2* A B2900 109.526 -4.901 37.016 1.00 0.00 O ATOM 62278 C1* A B2900 108.236 -6.880 37.058 1.00 0.00 C ATOM 62279 N9 A B2900 107.909 -8.042 37.932 1.00 0.00 N ATOM 62280 C8 A B2900 107.871 -9.382 37.615 1.00 0.00 C ATOM 62281 N7 A B2900 107.547 -10.151 38.610 1.00 0.00 N ATOM 62282 C5 A B2900 107.358 -9.270 39.664 1.00 0.00 C ATOM 62283 C6 A B2900 106.996 -9.464 41.008 1.00 0.00 C ATOM 62284 N6 A B2900 106.752 -10.670 41.542 1.00 0.00 N ATOM 62285 N1 A B2900 106.893 -8.372 41.787 1.00 0.00 N ATOM 62286 C2 A B2900 107.138 -7.177 41.251 1.00 0.00 C ATOM 62287 N3 A B2900 107.478 -6.873 40.018 1.00 0.00 N ATOM 62288 C4 A B2900 107.575 -7.985 39.259 1.00 0.00 C ATOM 62289 P C B2901 113.036 -6.749 36.681 1.00 0.00 P ATOM 62290 O1P C B2901 114.181 -6.162 35.952 1.00 0.00 O ATOM 62291 O2P C B2901 113.065 -8.219 36.855 1.00 0.00 O ATOM 62292 O5* C B2901 112.881 -6.043 38.109 1.00 0.00 O ATOM 62293 C5* C B2901 112.740 -4.608 38.164 1.00 0.00 C ATOM 62294 C4* C B2901 112.484 -4.169 39.593 1.00 0.00 C ATOM 62295 O4* C B2901 111.171 -4.646 40.004 1.00 0.00 O ATOM 62296 C3* C B2901 113.430 -4.745 40.646 1.00 0.00 C ATOM 62297 O3* C B2901 114.606 -4.001 40.740 1.00 0.00 O ATOM 62298 C2* C B2901 112.583 -4.666 41.917 1.00 0.00 C ATOM 62299 O2* C B2901 112.528 -3.336 42.400 1.00 0.00 O ATOM 62300 C1* C B2901 111.195 -5.000 41.380 1.00 0.00 C ATOM 62301 N1 C B2901 110.843 -6.443 41.488 1.00 0.00 N ATOM 62302 C2 C B2901 110.527 -6.941 42.748 1.00 0.00 C ATOM 62303 O2 C B2901 110.550 -6.172 43.716 1.00 0.00 O ATOM 62304 N3 C B2901 110.202 -8.255 42.871 1.00 0.00 N ATOM 62305 C4 C B2901 110.188 -9.055 41.797 1.00 0.00 C ATOM 62306 N4 C B2901 109.862 -10.328 41.969 1.00 0.00 N ATOM 62307 C5 C B2901 110.509 -8.564 40.489 1.00 0.00 C ATOM 62308 C6 C B2901 110.831 -7.248 40.390 1.00 0.00 C ATOM 62309 P C B2902 115.998 -4.778 41.092 1.00 0.00 P ATOM 62310 O1P C B2902 117.158 -3.910 40.787 1.00 0.00 O ATOM 62311 O2P C B2902 116.001 -6.106 40.441 1.00 0.00 O ATOM 62312 O5* C B2902 115.854 -4.949 42.675 1.00 0.00 O ATOM 62313 C5* C B2902 115.741 -3.773 43.499 1.00 0.00 C ATOM 62314 C4* C B2902 115.492 -4.169 44.939 1.00 0.00 C ATOM 62315 O4* C B2902 114.167 -4.766 45.040 1.00 0.00 O ATOM 62316 C3* C B2902 116.423 -5.240 45.507 1.00 0.00 C ATOM 62317 O3* C B2902 117.610 -4.688 45.977 1.00 0.00 O ATOM 62318 C2* C B2902 115.571 -5.843 46.624 1.00 0.00 C ATOM 62319 O2* C B2902 115.542 -4.986 47.753 1.00 0.00 O ATOM 62320 C1* C B2902 114.180 -5.808 46.003 1.00 0.00 C ATOM 62321 N1 C B2902 113.796 -7.074 45.318 1.00 0.00 N ATOM 62322 C2 C B2902 113.467 -8.167 46.115 1.00 0.00 C ATOM 62323 O2 C B2902 113.503 -8.045 47.345 1.00 0.00 O ATOM 62324 N3 C B2902 113.113 -9.331 45.509 1.00 0.00 N ATOM 62325 C4 C B2902 113.087 -9.425 44.174 1.00 0.00 C ATOM 62326 N4 C B2902 112.736 -10.583 43.633 1.00 0.00 N ATOM 62327 C5 C B2902 113.423 -8.312 43.337 1.00 0.00 C ATOM 62328 C6 C B2902 113.770 -7.159 43.961 1.00 0.00 C ATOM 62329 P U B2903 118.520 -5.589 44.477 1.00 0.00 P ATOM 62330 O1P U B2903 119.672 -6.393 44.937 1.00 0.00 O ATOM 62331 O2P U B2903 118.845 -4.459 43.573 1.00 0.00 O ATOM 62332 O5* U B2903 117.401 -6.873 43.517 1.00 0.00 O ATOM 62333 C5* U B2903 117.186 -8.278 42.746 1.00 0.00 C ATOM 62334 C4* U B2903 116.190 -9.004 41.489 1.00 0.00 C ATOM 62335 O4* U B2903 115.998 -8.432 40.162 1.00 0.00 O ATOM 62336 C3* U B2903 115.403 -10.315 41.449 1.00 0.00 C ATOM 62337 O3* U B2903 115.094 -11.504 42.400 1.00 0.00 O ATOM 62338 C2* U B2903 114.207 -9.937 40.578 1.00 0.00 C ATOM 62339 O2* U B2903 113.270 -9.169 41.317 1.00 0.00 O ATOM 62340 C1* U B2903 114.845 -9.006 39.560 1.00 0.00 C ATOM 62341 N1 U B2903 115.312 -9.752 38.118 1.00 0.00 N ATOM 62342 C2 U B2903 114.482 -10.725 37.624 1.00 0.00 C ATOM 62343 O2 U B2903 113.504 -11.137 38.234 1.00 0.00 O ATOM 62344 N3 U B2903 114.819 -11.228 36.382 1.00 0.00 N ATOM 62345 C4 U B2903 115.894 -10.836 35.610 1.00 0.00 C ATOM 62346 O4 U B2903 116.095 -11.356 34.507 1.00 0.00 O ATOM 62347 C5 U B2903 116.709 -9.805 36.206 1.00 0.00 C ATOM 62348 C6 U B2903 116.401 -9.308 37.419 1.00 0.00 C ATOM 62349 H3 U B2903 114.204 -12.217 35.844 1.00 0.00 H ATOM 62350 H5 U B2903 117.743 -9.348 35.514 1.00 0.00 H ATOM 62351 H6 U B2903 117.184 -8.410 37.895 1.00 0.00 H ATOM 62352 P U B2904 113.825 -12.706 41.727 1.00 0.00 P ATOM 62353 O1P U B2904 113.930 -12.811 40.252 1.00 0.00 O ATOM 62354 O2P U B2904 112.471 -12.416 42.258 1.00 0.00 O ATOM 62355 O5* U B2904 114.399 -14.241 42.557 1.00 0.00 O ATOM 62356 C5* U B2904 113.553 -15.067 43.397 1.00 0.00 C ATOM 62357 C4* U B2904 112.307 -15.932 42.748 1.00 0.00 C ATOM 62358 O4* U B2904 111.814 -16.912 43.704 1.00 0.00 O ATOM 62359 C3* U B2904 111.035 -15.352 42.130 1.00 0.00 C ATOM 62360 O3* U B2904 110.536 -13.919 42.153 1.00 0.00 O ATOM 62361 C2* U B2904 110.119 -16.570 42.077 1.00 0.00 C ATOM 62362 O2* U B2904 110.482 -17.427 41.008 1.00 0.00 O ATOM 62363 C1* U B2904 110.486 -17.293 43.368 1.00 0.00 C ATOM 62364 N1 U B2904 109.486 -16.940 44.679 1.00 0.00 N ATOM 62365 C2 U B2904 110.003 -17.149 45.933 1.00 0.00 C ATOM 62366 O2 U B2904 111.095 -17.661 46.125 1.00 0.00 O ATOM 62367 N3 U B2904 109.201 -16.747 46.985 1.00 0.00 N ATOM 62368 C4 U B2904 107.956 -16.165 46.886 1.00 0.00 C ATOM 62369 O4 U B2904 107.326 -15.843 47.895 1.00 0.00 O ATOM 62370 C5 U B2904 107.494 -15.983 45.528 1.00 0.00 C ATOM 62371 C6 U B2904 108.254 -16.366 44.491 1.00 0.00 C TER 62372 U B2904 CONECT1599116003 CONECT1600315991160041600516006 CONECT1600416003 CONECT1600516003 CONECT160061600316007 CONECT160071600616008 CONECT16008160071600916010 CONECT160091600816014 CONECT16010160081601116012 CONECT160111601016044 CONECT16012160101601316014 CONECT1601316012 CONECT16014160091601216015 CONECT16015160141601616025 CONECT160161601516017 CONECT16017160161601816026 CONECT16018160171601916025 CONECT16019160181602016021 CONECT1602016019 CONECT160211601916022 CONECT16022160211602316024 CONECT1602316022 CONECT160241602216025 CONECT16025160151601816024 CONECT1602616017 CONECT160271602816032 CONECT16028160271602916033 CONECT160291602816030 CONECT16030160291603116034 CONECT16031160301603216035 CONECT160321602716031 CONECT1603316028 CONECT1603416030 CONECT16035160311603616041 CONECT16036160351603716038 CONECT1603716036 CONECT16038160361603916040 CONECT16039160381604116042 CONECT160401603816065 CONECT160411603516039 CONECT160421603916043 CONECT160431604216044 CONECT1604416011160431604516046 CONECT1604516044 CONECT1604616044 CONECT16047160481605316056 CONECT16048160471604916054 CONECT160491604816050 CONECT16050160491605116055 CONECT16051160501605216053 CONECT1605216051 CONECT160531604716051 CONECT1605416048 CONECT1605516050 CONECT16056160471605716062 CONECT16057160561605816059 CONECT1605816057 CONECT16059160571606016061 CONECT16060160591606216063 CONECT160611605916068 CONECT160621605616060 CONECT160631606016064 CONECT160641606316065 CONECT1606516040160641606616067 CONECT1606616065 CONECT1606716065 CONECT1606816061 CONECT3474934761 CONECT3476134749347623476334764 CONECT3476234761 CONECT3476334761 CONECT347643476134765 CONECT347653476434766 CONECT34766347653476734768 CONECT347673476634772 CONECT34768347663476934770 CONECT347693476834784 CONECT34770347683477134772 CONECT3477134770 CONECT34772347673477034773 CONECT34773347723477434783 CONECT347743477334775 CONECT347753477434776 CONECT34776347753477734783 CONECT34777347763477834779 CONECT3477834777 CONECT34779347773478034781 CONECT3478034779 CONECT347813477934782 CONECT347823478134783 CONECT34783347733477634782 CONECT3478434769 CONECT4105941091 CONECT410744107541079 CONECT41075410744107641080 CONECT410764107541077 CONECT41077410764107841081 CONECT41078410774107941082 CONECT410794107441078 CONECT4108041075 CONECT4108141077 CONECT41082410784108341088 CONECT41083410824108441085 CONECT4108441083 CONECT41085410834108641087 CONECT41086410854108841089 CONECT410874108541094 CONECT410884108241086 CONECT410894108641090 CONECT410904108941091 CONECT4109141059410904109241093 CONECT4109241091 CONECT4109341091 CONECT4109441087 CONECT4114641176 CONECT41158411594116441167 CONECT41159411584116041165 CONECT411604115941161 CONECT41161411604116241166 CONECT41162411614116341164 CONECT4116341162 CONECT411644115841162 CONECT4116541159 CONECT4116641161 CONECT41167411584116841173 CONECT41168411674116941170 CONECT4116941168 CONECT41170411684117141172 CONECT41171411704117341174 CONECT411724117041179 CONECT411734116741171 CONECT411744117141175 CONECT411754117441176 CONECT4117641146411754117741178 CONECT4117741176 CONECT4117841176 CONECT4117941172 CONECT4118741218 CONECT412014120241206 CONECT41202412014120341207 CONECT412034120241204 CONECT41204412034120541208 CONECT41205412044120641209 CONECT412064120141205 CONECT4120741202 CONECT4120841204 CONECT41209412054121041215 CONECT41210412094121141212 CONECT4121141210 CONECT41212412104121341214 CONECT41213412124121541216 CONECT412144121241221 CONECT412154120941213 CONECT412164121341217 CONECT412174121641218 CONECT4121841187412174121941220 CONECT4121941218 CONECT4122041218 CONECT4122141214 CONECT4166141693 CONECT41675416764168141684 CONECT41676416754167741682 CONECT416774167641678 CONECT41678416774167941683 CONECT41679416784168041681 CONECT4168041679 CONECT416814167541679 CONECT4168241676 CONECT4168341678 CONECT41684416754168541690 CONECT41685416844168641687 CONECT4168641685 CONECT41687416854168841689 CONECT41688416874169041691 CONECT416894168741696 CONECT416904168441688 CONECT416914168841692 CONECT416924169141693 CONECT4169341661416924169441695 CONECT4169441693 CONECT4169541693 CONECT4169641689 CONECT4359443609 CONECT4360943594436104361143612 CONECT4361043609 CONECT4361143609 CONECT436124360943613 CONECT436134361243614 CONECT43614436134361543616 CONECT436154361443620 CONECT43616436144361743618 CONECT436174361643632 CONECT43618436164361943620 CONECT4361943618 CONECT43620436154361843621 CONECT43621436204362243631 CONECT436224362143623 CONECT436234362243624 CONECT43624436234362543631 CONECT43625436244362643627 CONECT4362643625 CONECT43627436254362843629 CONECT4362843627 CONECT436294362743630 CONECT436304362943631 CONECT43631436214362443630 CONECT4363243617 CONECT4443844450 CONECT4445044438444514445244453 CONECT4445144450 CONECT4445244450 CONECT444534445044454 CONECT444544445344455 CONECT44455444544445644457 CONECT444564445544461 CONECT44457444554445844459 CONECT444584445744474 CONECT44459444574446044461 CONECT4446044459 CONECT44461444564445944462 CONECT44462444614446344472 CONECT444634446244464 CONECT44464444634446544473 CONECT44465444644446644472 CONECT44466444654446744468 CONECT4446744466 CONECT444684446644469 CONECT44469444684447044471 CONECT4447044469 CONECT444714446944472 CONECT44472444624446544471 CONECT4447344464 CONECT4447444458 CONECT4831748332 CONECT4833248317483334833448335 CONECT4833348332 CONECT4833448332 CONECT483354833248336 CONECT483364833548337 CONECT48337483364833848339 CONECT483384833748343 CONECT48339483374834048341 CONECT483404833948356 CONECT48341483394834248343 CONECT4834248341 CONECT48343483384834148344 CONECT48344483434834548354 CONECT483454834448346 CONECT48346483454834748355 CONECT48347483464834848354 CONECT48348483474834948350 CONECT4834948348 CONECT483504834848351 CONECT48351483504835248353 CONECT4835248351 CONECT483534835148354 CONECT48354483444834748353 CONECT4835548346 CONECT4835648340 CONECT5259152623 CONECT52605526065261152614 CONECT52606526055260752612 CONECT526075260652608 CONECT52608526075260952613 CONECT52609526085261052611 CONECT5261052609 CONECT526115260552609 CONECT5261252606 CONECT5261352608 CONECT52614526055261552620 CONECT52615526145261652617 CONECT5261652615 CONECT52617526155261852619 CONECT52618526175262052621 CONECT526195261752626 CONECT526205261452618 CONECT526215261852622 CONECT526225262152623 CONECT5262352591526225262452625 CONECT5262452623 CONECT5262552623 CONECT5262652619 CONECT5363853652 CONECT5365253638536535365453655 CONECT5365353652 CONECT5365453652 CONECT536555365253656 CONECT536565365553657 CONECT53657536565365853659 CONECT536585365753663 CONECT53659536575366053661 CONECT536605365953673 CONECT53661536595366253663 CONECT5366253661 CONECT53663536585366153664 CONECT53664536635366553671 CONECT53665536645366653667 CONECT5366653665 CONECT536675366553668 CONECT53668536675366953670 CONECT5366953668 CONECT53670536685367153672 CONECT536715366453670 CONECT5367253670 CONECT5367353660 MASTER 89 0 13 374 0 0 0 662371 1 305 224 END ./arbsrc_9167/lib/rna3d/Ecoli_1C2X_5S_rRNA.pdb0000644012664100000130000065374111213220015020427 0ustar arb_buildcodersHEADER RIBOSOME 28-JUL-99 1C2X TITLE 5S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP TITLE 2 AT 7.5 ANGSTROMS RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5S RIBOSOMAL RNA; COMPND 3 CHAIN: C; COMPND 4 SYNONYM: 5S RRNA; COMPND 5 OTHER_DETAILS: THIRD OF THE 3 RRNA CHAINS OF THE RIBOSOME SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: INTESTINE BACTERIA; SOURCE 4 CELLULAR_LOCATION: CYTOPLASM KEYWDS 5S RRNA, 23S RRNA, RIBOSOME, LARGE RIBOSOMAL SUBUNIT, KEYWDS 2 PROTEIN BIOSYNTHESIS, RIBONUCLEIC ACID, EM-RECONSTRUCTION, KEYWDS 3 ATOMIC STRUCTURE, 3D ARRANGEMENT, FITTING EXPDTA ELECTRON MICROSCOPY AUTHOR R.BRIMACOMBE,F.MUELLER REVDAT 1 10-APR-00 1C2X 0 JRNL AUTH F.MUELLER,I.SOMMER,P.BARANOV,R.MATADEEN,M.STOLDT, JRNL AUTH 2 J.WOEHNERT,M.GOERLACH,M.VAN HEEL,R.BRIMACOMBE JRNL TITL THE 3D ARRANGEMENT OF THE 23S AND 5S RRNA IN THE JRNL TITL 2 ESCHERICHIA COLI 50S RIBOSOMAL SUBUNIT BASED ON A JRNL TITL 3 CRYO-ELECTRON MICROSCOPIC RECONSTRUCTION AT 7.5 JRNL TITL 4 ANGSTROMS RESOLUTION JRNL REF J.MOL.BIOL. V. 298 35 2000 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.MUELLER,R.BRIMACOMBE REMARK 1 TITL A NEW MODEL FOR THE THREE-DIMENSIONAL FOLDING OF REMARK 1 TITL 2 ESCHERICHIA COLI 16S RIBOSOMAL RNA. I. FITTING THE REMARK 1 TITL 3 RNA TO A 3D ELECTRON MICROSCOPIC MAP AT 20 REMARK 1 TITL 4 ANGSTROMS REMARK 1 REF J.MOL.BIOL. V. 271 524 1997 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH F.MUELLER,R.BRIMACOMBE REMARK 1 TITL A NEW MODEL FOR THE THREE-DIMENSIONAL FOLDING OF REMARK 1 TITL 2 ESCHERICHIA COLI 16S RIBOSOMAL RNA. II. THE REMARK 1 TITL 3 RNA-PROTEIN INTERACTION DATA REMARK 1 REF J.MOL.BIOL. V. 271 545 1997 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REFERENCE 3 REMARK 1 AUTH F.MUELLER,H.STARK,M.VAN HEEL,J.RINKE-APPEL, REMARK 1 AUTH 2 R.BRIMACOMBE REMARK 1 TITL A NEW MODEL FOR THE THREE-DIMENSIONAL FOLDING OF REMARK 1 TITL 2 ESCHERICHIA COLI 16S RIBOSOMAL RNA. III. THE REMARK 1 TITL 3 TOPOGRAPHY OF THE FUNCTIONAL CENTRE REMARK 1 REF J.MOL.BIOL. V. 271 566 1997 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 7.50 ANGSTROMS. REMARK 4 REMARK 4 1C2X COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JUL-1999. REMARK 100 THE RCSB ID CODE IS RCSB001272. REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. REMARK 250 REMARK 250 REFINEMENT. REMARK 250 PROGRAM : ERNA-3D REMARK 250 AUTHOR : MUELLER REMARK 250 REMARK 250 EXPERIMENTAL DETAILS REMARK 250 EXPERIMENT TYPE : CRYO-EM RECONSTRUCTION REMARK 250 DATE OF DATA COLLECTION : NULL REMARK 250 REMARK 250 REMARK: THE CRYST1 AND SCALE RECORDS ARE MEANINGLESS. REMARK 250 REMARK 250 THIS FILE HAS BEEN GENERATED BY THE USE OF ALL RELEVANT REMARK 250 BIOCHEMICAL CONSTRAINTS AND THE CONSTRAINTS GIVEN BY THE REMARK 250 ELECTRON DENSITY CONTOUR OF THE RIBOSOME, WHICH WAS DERIVED REMARK 250 FROM THE CRYO-ELECTRON MICROSCOPIC RECONSTRUCTION. REMARK 250 THIS FILE IS PART OF A SET OF ALL THREE RIBONUCLEIC ACID REMARK 250 CHAINS OF THE RIBOSOME TOGETHER WITH A NUMBER OF RIBOSOMAL REMARK 250 PROTEINS WHICH ARE ALSO DEPOSITED WITH THE PDB DATA BANK. REMARK 250 THE ATOMIC COORDINATES OF ALL THESE RIBOSOMAL COMPONENTS REMARK 250 REFLECT THEIR POSITIONS IN THE 70S RIBOSOME. REMARK 250 REMARK 650 REMARK 650 HELIX REMARK 650 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT HELIX IDS IN REMARK 650 HELIX RECORDS ARE ONLY THREE CHARACTERS LONG. DUE TO THE REMARK 650 FACT THAT RIBOSOMAL RNA MODELS NEED HELICES WITH LONGER REMARK 650 NAMES, FULL HELIX NAMES ARE GIVEN IN THE COMMENT COLUMNS REMARK 650 OF THESE HELIX RECORDS (COLUMNS 41 - 70). REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2V RELATED DB: PDB REMARK 900 FIRST RNA CHAIN OF THE RIBOSOME REMARK 900 RELATED ID: 1C2W RELATED DB: PDB REMARK 900 SECOND RNA CHAIN OF THE RIBOSOME REMARK 900 SEQRES 1 C 120 U G C C U G G C G G C C G SEQRES 2 C 120 U A G C G C G G U G G U C SEQRES 3 C 120 C C A C C U G A C C C C A SEQRES 4 C 120 U G C C G A A C U C A G A SEQRES 5 C 120 A G U G A A A C G C C G U SEQRES 6 C 120 A G C G C C G A U G G U A SEQRES 7 C 120 G U G U G G G G U C U C C SEQRES 8 C 120 C C A U G C G A G A G U A SEQRES 9 C 120 G G G A A C U G C C A G G SEQRES 10 C 120 C A U HELIX 1 I U C 1 G C 10 1I 10 HELIX 2 I C C 110 A C 119 1I 10 HELIX 3 IID G C 16 C C 17 1IID1 2 HELIX 4 IID G C 67 C C 68 1IID1 2 HELIX 5 IID G C 18 G C 23 1IID2 6 HELIX 6 IID C C 60 U C 65 1IID2 6 HELIX 7 III C C 31 A C 34 1III 4 HELIX 8 III U C 48 G C 51 1III 4 HELIX 9 IV G C 79 G C 86 1IV 8 HELIX 10 IV C C 90 C C 97 1IV 8 HELIX 11 V C C 70 U C 74 1V 5 HELIX 12 V G C 102 G C 106 1V 5 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 O3P U C 1 59.427 110.335 9.599 1.00 0.00 O ATOM 2 P U C 1 58.013 109.977 10.257 1.00 0.00 P ATOM 3 O1P U C 1 56.922 110.548 9.433 1.00 0.00 O ATOM 4 O2P U C 1 57.936 108.523 10.513 1.00 0.00 O ATOM 5 O5* U C 1 58.104 110.765 11.648 1.00 0.00 O ATOM 6 C5* U C 1 59.158 110.430 12.571 1.00 0.00 C ATOM 7 C4* U C 1 59.134 111.376 13.754 1.00 0.00 C ATOM 8 O4* U C 1 59.503 112.711 13.300 1.00 0.00 O ATOM 9 C3* U C 1 57.768 111.581 14.415 1.00 0.00 C ATOM 10 O3* U C 1 57.495 110.579 15.341 1.00 0.00 O ATOM 11 C2* U C 1 57.927 112.953 15.062 1.00 0.00 C ATOM 12 O2* U C 1 58.704 112.867 16.240 1.00 0.00 O ATOM 13 C1* U C 1 58.769 113.686 14.026 1.00 0.00 C ATOM 14 N1 U C 1 57.966 114.475 13.047 1.00 0.00 N ATOM 15 C2 U C 1 57.406 115.647 13.498 1.00 0.00 C ATOM 16 O2 U C 1 57.540 116.049 14.638 1.00 0.00 O ATOM 17 N3 U C 1 56.669 116.349 12.565 1.00 0.00 N ATOM 18 C4 U C 1 56.453 115.986 11.250 1.00 0.00 C ATOM 19 O4 U C 1 55.774 116.698 10.509 1.00 0.00 O ATOM 20 C5 U C 1 57.080 114.746 10.871 1.00 0.00 C ATOM 21 C6 U C 1 57.803 114.040 11.759 1.00 0.00 C ATOM 22 P G C 2 55.949 110.088 15.536 1.00 0.00 P ATOM 23 O1P G C 2 55.909 108.801 16.266 1.00 0.00 O ATOM 24 O2P G C 2 55.259 110.106 14.227 1.00 0.00 O ATOM 25 O5* G C 2 55.376 111.255 16.466 1.00 0.00 O ATOM 26 C5* G C 2 55.970 111.473 17.758 1.00 0.00 C ATOM 27 C4* G C 2 55.363 112.699 18.410 1.00 0.00 C ATOM 28 O4* G C 2 55.766 113.882 17.660 1.00 0.00 O ATOM 29 C3* G C 2 53.834 112.766 18.408 1.00 0.00 C ATOM 30 O3* G C 2 53.291 112.055 19.479 1.00 0.00 O ATOM 31 C2* G C 2 53.580 114.269 18.510 1.00 0.00 C ATOM 32 O2* G C 2 53.797 114.728 19.832 1.00 0.00 O ATOM 33 C1* G C 2 54.711 114.828 17.651 1.00 0.00 C ATOM 34 N9 G C 2 54.320 115.072 16.234 1.00 0.00 N ATOM 35 C8 G C 2 54.653 114.356 15.104 1.00 0.00 C ATOM 36 N7 G C 2 54.143 114.837 13.996 1.00 0.00 N ATOM 37 C5 G C 2 53.421 115.955 14.423 1.00 0.00 C ATOM 38 C6 G C 2 52.654 116.884 13.677 1.00 0.00 C ATOM 39 O6 G C 2 52.444 116.917 12.468 1.00 0.00 O ATOM 40 N1 G C 2 52.091 117.864 14.508 1.00 0.00 N ATOM 41 C2 G C 2 52.250 117.936 15.880 1.00 0.00 C ATOM 42 N2 G C 2 51.629 118.948 16.490 1.00 0.00 N ATOM 43 N3 G C 2 52.970 117.061 16.576 1.00 0.00 N ATOM 44 C4 G C 2 53.526 116.105 15.788 1.00 0.00 C ATOM 45 P C C 3 51.862 111.297 19.270 1.00 0.00 P ATOM 46 O1P C C 3 51.636 110.320 20.358 1.00 0.00 O ATOM 47 O2P C C 3 51.786 110.758 17.896 1.00 0.00 O ATOM 48 O5* C C 3 50.844 112.524 19.426 1.00 0.00 O ATOM 49 C5* C C 3 50.821 113.254 20.664 1.00 0.00 C ATOM 50 C4* C C 3 49.883 114.441 20.549 1.00 0.00 C ATOM 51 O4* C C 3 50.454 115.401 19.612 1.00 0.00 O ATOM 52 C3* C C 3 48.499 114.143 19.972 1.00 0.00 C ATOM 53 O3* C C 3 47.626 113.683 20.955 1.00 0.00 O ATOM 54 C2* C C 3 48.089 115.502 19.409 1.00 0.00 C ATOM 55 O2* C C 3 47.687 116.378 20.447 1.00 0.00 O ATOM 56 C1* C C 3 49.415 116.025 18.873 1.00 0.00 C ATOM 57 N1 C C 3 49.638 115.733 17.429 1.00 0.00 N ATOM 58 C2 C C 3 48.914 116.471 16.497 1.00 0.00 C ATOM 59 O2 C C 3 48.125 117.332 16.903 1.00 0.00 O ATOM 60 N3 C C 3 49.101 116.215 15.177 1.00 0.00 N ATOM 61 C4 C C 3 49.963 115.273 14.776 1.00 0.00 C ATOM 62 N4 C C 3 50.109 115.065 13.478 1.00 0.00 N ATOM 63 C5 C C 3 50.716 114.502 15.720 1.00 0.00 C ATOM 64 C6 C C 3 50.517 114.769 17.035 1.00 0.00 C ATOM 65 P C C 4 46.491 112.583 20.549 1.00 0.00 P ATOM 66 O1P C C 4 45.922 111.958 21.762 1.00 0.00 O ATOM 67 O2P C C 4 47.052 111.652 19.542 1.00 0.00 O ATOM 68 O5* C C 4 45.393 113.525 19.860 1.00 0.00 O ATOM 69 C5* C C 4 44.783 114.569 20.638 1.00 0.00 C ATOM 70 C4* C C 4 43.880 115.412 19.760 1.00 0.00 C ATOM 71 O4* C C 4 44.696 116.147 18.806 1.00 0.00 O ATOM 72 C3* C C 4 42.896 114.633 18.885 1.00 0.00 C ATOM 73 O3* C C 4 41.738 114.298 19.581 1.00 0.00 O ATOM 74 C2* C C 4 42.636 115.619 17.747 1.00 0.00 C ATOM 75 O2* C C 4 41.758 116.650 18.165 1.00 0.00 O ATOM 76 C1* C C 4 44.012 116.256 17.568 1.00 0.00 C ATOM 77 N1 C C 4 44.843 115.599 16.523 1.00 0.00 N ATOM 78 C2 C C 4 44.515 115.827 15.190 1.00 0.00 C ATOM 79 O2 C C 4 43.552 116.563 14.933 1.00 0.00 O ATOM 80 N3 C C 4 45.260 115.237 14.222 1.00 0.00 N ATOM 81 C4 C C 4 46.296 114.448 14.542 1.00 0.00 C ATOM 82 N4 C C 4 46.991 113.897 13.561 1.00 0.00 N ATOM 83 C5 C C 4 46.650 114.199 15.907 1.00 0.00 C ATOM 84 C6 C C 4 45.893 114.797 16.860 1.00 0.00 C ATOM 85 P U C 5 40.988 112.893 19.232 1.00 0.00 P ATOM 86 O1P U C 5 40.022 112.550 20.301 1.00 0.00 O ATOM 87 O2P U C 5 41.998 111.860 18.920 1.00 0.00 O ATOM 88 O5* U C 5 40.197 113.296 17.898 1.00 0.00 O ATOM 89 C5* U C 5 39.224 114.354 17.957 1.00 0.00 C ATOM 90 C4* U C 5 38.695 114.651 16.569 1.00 0.00 C ATOM 91 O4* U C 5 39.769 115.233 15.771 1.00 0.00 O ATOM 92 C3* U C 5 38.251 113.436 15.752 1.00 0.00 C ATOM 93 O3* U C 5 36.941 113.069 16.055 1.00 0.00 O ATOM 94 C2* U C 5 38.402 113.944 14.320 1.00 0.00 C ATOM 95 O2* U C 5 37.335 114.816 13.979 1.00 0.00 O ATOM 96 C1* U C 5 39.657 114.800 14.427 1.00 0.00 C ATOM 97 N1 U C 5 40.910 114.074 14.075 1.00 0.00 N ATOM 98 C2 U C 5 41.130 113.814 12.743 1.00 0.00 C ATOM 99 O2 U C 5 40.356 114.156 11.864 1.00 0.00 O ATOM 100 N3 U C 5 42.300 113.142 12.455 1.00 0.00 N ATOM 101 C4 U C 5 43.242 112.710 13.366 1.00 0.00 C ATOM 102 O4 U C 5 44.254 112.114 12.989 1.00 0.00 O ATOM 103 C5 U C 5 42.924 113.025 14.738 1.00 0.00 C ATOM 104 C6 U C 5 41.792 113.681 15.046 1.00 0.00 C ATOM 105 P G C 6 36.541 111.486 16.011 1.00 0.00 P ATOM 106 O1P G C 6 35.252 111.265 16.705 1.00 0.00 O ATOM 107 O2P G C 6 37.679 110.676 16.495 1.00 0.00 O ATOM 108 O5* G C 6 36.349 111.270 14.438 1.00 0.00 O ATOM 109 C5* G C 6 35.348 112.036 13.745 1.00 0.00 C ATOM 110 C4* G C 6 35.425 111.766 12.256 1.00 0.00 C ATOM 111 O4* G C 6 36.672 112.314 11.740 1.00 0.00 O ATOM 112 C3* G C 6 35.479 110.293 11.846 1.00 0.00 C ATOM 113 O3* G C 6 34.202 109.737 11.774 1.00 0.00 O ATOM 114 C2* G C 6 36.168 110.361 10.486 1.00 0.00 C ATOM 115 O2* G C 6 35.269 110.813 9.489 1.00 0.00 O ATOM 116 C1* G C 6 37.177 111.482 10.712 1.00 0.00 C ATOM 117 N9 G C 6 38.525 110.998 11.130 1.00 0.00 N ATOM 118 C8 G C 6 39.120 111.053 12.372 1.00 0.00 C ATOM 119 N7 G C 6 40.325 110.532 12.407 1.00 0.00 N ATOM 120 C5 G C 6 40.540 110.104 11.098 1.00 0.00 C ATOM 121 C6 G C 6 41.667 109.464 10.520 1.00 0.00 C ATOM 122 O6 G C 6 42.724 109.136 11.053 1.00 0.00 O ATOM 123 N1 G C 6 41.465 109.210 9.157 1.00 0.00 N ATOM 124 C2 G C 6 40.328 109.527 8.443 1.00 0.00 C ATOM 125 N2 G C 6 40.329 109.197 7.153 1.00 0.00 N ATOM 126 N3 G C 6 39.270 110.127 8.989 1.00 0.00 N ATOM 127 C4 G C 6 39.447 110.383 10.312 1.00 0.00 C ATOM 128 P G C 7 34.005 108.168 12.180 1.00 0.00 P ATOM 129 O1P G C 7 32.574 107.870 12.395 1.00 0.00 O ATOM 130 O2P G C 7 34.908 107.833 13.303 1.00 0.00 O ATOM 131 O5* G C 7 34.515 107.447 10.844 1.00 0.00 O ATOM 132 C5* G C 7 33.829 107.709 9.606 1.00 0.00 C ATOM 133 C4* G C 7 34.552 107.028 8.460 1.00 0.00 C ATOM 134 O4* G C 7 35.840 107.674 8.265 1.00 0.00 O ATOM 135 C3* G C 7 34.904 105.555 8.678 1.00 0.00 C ATOM 136 O3* G C 7 33.833 104.720 8.363 1.00 0.00 O ATOM 137 C2* G C 7 36.093 105.370 7.735 1.00 0.00 C ATOM 138 O2* G C 7 35.657 105.272 6.391 1.00 0.00 O ATOM 139 C1* G C 7 36.808 106.709 7.874 1.00 0.00 C ATOM 140 N9 G C 7 37.891 106.707 8.898 1.00 0.00 N ATOM 141 C8 G C 7 37.903 107.271 10.155 1.00 0.00 C ATOM 142 N7 G C 7 39.023 107.085 10.813 1.00 0.00 N ATOM 143 C5 G C 7 39.809 106.346 9.928 1.00 0.00 C ATOM 144 C6 G C 7 41.127 105.844 10.074 1.00 0.00 C ATOM 145 O6 G C 7 41.889 105.951 11.034 1.00 0.00 O ATOM 146 N1 G C 7 41.538 105.147 8.929 1.00 0.00 N ATOM 147 C2 G C 7 40.778 104.960 7.795 1.00 0.00 C ATOM 148 N2 G C 7 41.356 104.264 6.811 1.00 0.00 N ATOM 149 N3 G C 7 39.542 105.432 7.658 1.00 0.00 N ATOM 150 C4 G C 7 39.125 106.108 8.756 1.00 0.00 C ATOM 151 P C C 8 33.631 103.346 9.224 1.00 0.00 P ATOM 152 O1P C C 8 32.276 102.799 9.004 1.00 0.00 O ATOM 153 O2P C C 8 34.006 103.590 10.635 1.00 0.00 O ATOM 154 O5* C C 8 34.720 102.397 8.532 1.00 0.00 O ATOM 155 C5* C C 8 34.593 102.102 7.129 1.00 0.00 C ATOM 156 C4* C C 8 35.789 101.296 6.661 1.00 0.00 C ATOM 157 O4* C C 8 36.979 102.137 6.714 1.00 0.00 O ATOM 158 C3* C C 8 36.156 100.085 7.521 1.00 0.00 C ATOM 159 O3* C C 8 35.397 98.968 7.180 1.00 0.00 O ATOM 160 C2* C C 8 37.639 99.908 7.212 1.00 0.00 C ATOM 161 O2* C C 8 37.819 99.310 5.937 1.00 0.00 O ATOM 162 C1* C C 8 38.101 101.357 7.090 1.00 0.00 C ATOM 163 N1 C C 8 38.651 101.916 8.357 1.00 0.00 N ATOM 164 C2 C C 8 39.918 101.496 8.758 1.00 0.00 C ATOM 165 O2 C C 8 40.524 100.684 8.053 1.00 0.00 O ATOM 166 N3 C C 8 40.437 101.997 9.907 1.00 0.00 N ATOM 167 C4 C C 8 39.745 102.877 10.642 1.00 0.00 C ATOM 168 N4 C C 8 40.295 103.336 11.756 1.00 0.00 N ATOM 169 C5 C C 8 38.443 103.320 10.248 1.00 0.00 C ATOM 170 C6 C C 8 37.941 102.811 9.094 1.00 0.00 C ATOM 171 P G C 9 34.982 97.909 8.354 1.00 0.00 P ATOM 172 O1P G C 9 33.902 97.018 7.879 1.00 0.00 O ATOM 173 O2P G C 9 34.705 98.650 9.606 1.00 0.00 O ATOM 174 O5* G C 9 36.340 97.080 8.504 1.00 0.00 O ATOM 175 C5* G C 9 36.846 96.352 7.369 1.00 0.00 C ATOM 176 C4* G C 9 38.195 95.749 7.696 1.00 0.00 C ATOM 177 O4* G C 9 39.165 96.822 7.859 1.00 0.00 O ATOM 178 C3* G C 9 38.276 94.976 9.015 1.00 0.00 C ATOM 179 O3* G C 9 37.838 93.662 8.865 1.00 0.00 O ATOM 180 C2* G C 9 39.764 95.069 9.348 1.00 0.00 C ATOM 181 O2* G C 9 40.515 94.174 8.548 1.00 0.00 O ATOM 182 C1* G C 9 40.099 96.478 8.875 1.00 0.00 C ATOM 183 N9 G C 9 40.011 97.508 9.945 1.00 0.00 N ATOM 184 C8 G C 9 39.050 98.476 10.149 1.00 0.00 C ATOM 185 N7 G C 9 39.269 99.232 11.197 1.00 0.00 N ATOM 186 C5 G C 9 40.462 98.733 11.725 1.00 0.00 C ATOM 187 C6 G C 9 41.200 99.151 12.859 1.00 0.00 C ATOM 188 O6 G C 9 40.954 100.058 13.649 1.00 0.00 O ATOM 189 N1 G C 9 42.353 98.369 13.033 1.00 0.00 N ATOM 190 C2 G C 9 42.738 97.325 12.215 1.00 0.00 C ATOM 191 N2 G C 9 43.868 96.701 12.553 1.00 0.00 N ATOM 192 N3 G C 9 42.041 96.935 11.149 1.00 0.00 N ATOM 193 C4 G C 9 40.922 97.685 10.966 1.00 0.00 C ATOM 194 P G C 10 37.068 92.945 10.114 1.00 0.00 P ATOM 195 O1P G C 10 36.374 91.722 9.653 1.00 0.00 O ATOM 196 O2P G C 10 36.225 93.942 10.811 1.00 0.00 O ATOM 197 O5* G C 10 38.310 92.544 11.041 1.00 0.00 O ATOM 198 C5* G C 10 39.309 91.646 10.519 1.00 0.00 C ATOM 199 C4* G C 10 40.446 91.505 11.513 1.00 0.00 C ATOM 200 O4* G C 10 41.156 92.773 11.600 1.00 0.00 O ATOM 201 C3* G C 10 40.037 91.210 12.955 1.00 0.00 C ATOM 202 O3* G C 10 39.827 89.847 13.159 1.00 0.00 O ATOM 203 C2* G C 10 41.231 91.746 13.742 1.00 0.00 C ATOM 204 O2* G C 10 42.329 90.853 13.660 1.00 0.00 O ATOM 205 C1* G C 10 41.604 92.984 12.931 1.00 0.00 C ATOM 206 N9 G C 10 40.981 94.239 13.432 1.00 0.00 N ATOM 207 C8 G C 10 39.935 94.966 12.904 1.00 0.00 C ATOM 208 N7 G C 10 39.624 96.036 13.596 1.00 0.00 N ATOM 209 C5 G C 10 40.528 96.017 14.662 1.00 0.00 C ATOM 210 C6 G C 10 40.677 96.916 15.746 1.00 0.00 C ATOM 211 O6 G C 10 40.040 97.937 15.994 1.00 0.00 O ATOM 212 N1 G C 10 41.720 96.517 16.596 1.00 0.00 N ATOM 213 C2 G C 10 42.505 95.396 16.426 1.00 0.00 C ATOM 214 N2 G C 10 43.444 95.191 17.351 1.00 0.00 N ATOM 215 N3 G C 10 42.362 94.551 15.408 1.00 0.00 N ATOM 216 C4 G C 10 41.357 94.923 14.570 1.00 0.00 C ATOM 217 P C C 11 39.428 88.278 12.302 1.00 0.00 P ATOM 218 O1P C C 11 39.237 88.349 10.840 1.00 0.00 O ATOM 219 O2P C C 11 38.341 87.633 13.065 1.00 0.00 O ATOM 220 O5* C C 11 40.960 87.454 12.907 1.00 0.00 O ATOM 221 C5* C C 11 41.350 86.271 13.701 1.00 0.00 C ATOM 222 C4* C C 11 42.167 85.123 12.790 1.00 0.00 C ATOM 223 O4* C C 11 43.145 85.720 11.893 1.00 0.00 O ATOM 224 C3* C C 11 41.581 83.969 11.976 1.00 0.00 C ATOM 225 O3* C C 11 40.119 83.552 12.346 1.00 0.00 O ATOM 226 C2* C C 11 41.564 84.547 10.564 1.00 0.00 C ATOM 227 O2* C C 11 40.493 85.464 10.410 1.00 0.00 O ATOM 228 C1* C C 11 42.853 85.365 10.551 1.00 0.00 C ATOM 229 N1 C C 11 44.210 84.550 9.901 1.00 0.00 N ATOM 230 C2 C C 11 44.347 84.523 8.516 1.00 0.00 C ATOM 231 O2 C C 11 43.478 85.051 7.818 1.00 0.00 O ATOM 232 N3 C C 11 45.442 83.912 7.982 1.00 0.00 N ATOM 233 C4 C C 11 46.361 83.350 8.773 1.00 0.00 C ATOM 234 N4 C C 11 47.405 82.771 8.206 1.00 0.00 N ATOM 235 C5 C C 11 46.239 83.368 10.200 1.00 0.00 C ATOM 236 C6 C C 11 45.143 83.980 10.713 1.00 0.00 C ATOM 237 P C C 12 39.661 82.377 13.665 1.00 0.00 P ATOM 238 O1P C C 12 40.701 82.218 14.708 1.00 0.00 O ATOM 239 O2P C C 12 39.111 81.123 13.110 1.00 0.00 O ATOM 240 O5* C C 12 38.326 83.479 14.255 1.00 0.00 O ATOM 241 C5* C C 12 37.625 83.959 15.419 1.00 0.00 C ATOM 242 C4* C C 12 38.265 85.326 16.000 1.00 0.00 C ATOM 243 O4* C C 12 38.867 86.328 15.134 1.00 0.00 O ATOM 244 C3* C C 12 38.475 85.875 17.408 1.00 0.00 C ATOM 245 O3* C C 12 38.276 84.915 18.590 1.00 0.00 O ATOM 246 C2* C C 12 39.848 86.537 17.287 1.00 0.00 C ATOM 247 O2* C C 12 40.876 85.565 17.299 1.00 0.00 O ATOM 248 C1* C C 12 39.791 87.110 15.877 1.00 0.00 C ATOM 249 N1 C C 12 39.304 88.737 15.793 1.00 0.00 N ATOM 250 C2 C C 12 40.226 89.712 16.171 1.00 0.00 C ATOM 251 O2 C C 12 41.325 89.354 16.609 1.00 0.00 O ATOM 252 N3 C C 12 39.882 91.018 16.040 1.00 0.00 N ATOM 253 C4 C C 12 38.683 91.362 15.559 1.00 0.00 C ATOM 254 N4 C C 12 38.395 92.654 15.452 1.00 0.00 N ATOM 255 C5 C C 12 37.721 90.379 15.166 1.00 0.00 C ATOM 256 C6 C C 12 38.082 89.080 15.305 1.00 0.00 C ATOM 257 P G C 13 39.132 83.297 18.640 1.00 0.00 P ATOM 258 O1P G C 13 40.578 83.367 18.327 1.00 0.00 O ATOM 259 O2P G C 13 38.369 82.245 17.937 1.00 0.00 O ATOM 260 O5* G C 13 38.860 83.281 20.435 1.00 0.00 O ATOM 261 C5* G C 13 39.416 83.767 21.657 1.00 0.00 C ATOM 262 C4* G C 13 39.182 85.331 21.983 1.00 0.00 C ATOM 263 O4* G C 13 40.173 86.339 21.634 1.00 0.00 O ATOM 264 C3* G C 13 37.898 86.138 22.215 1.00 0.00 C ATOM 265 O3* G C 13 36.665 85.573 22.920 1.00 0.00 O ATOM 266 C2* G C 13 38.439 87.416 22.852 1.00 0.00 C ATOM 267 O2* G C 13 38.781 87.192 24.210 1.00 0.00 O ATOM 268 C1* G C 13 39.747 87.611 22.093 1.00 0.00 C ATOM 269 N9 G C 13 39.640 88.667 20.740 1.00 0.00 N ATOM 270 C8 G C 13 39.399 88.366 19.420 1.00 0.00 C ATOM 271 N7 G C 13 39.279 89.416 18.641 1.00 0.00 N ATOM 272 C5 G C 13 39.452 90.492 19.514 1.00 0.00 C ATOM 273 C6 G C 13 39.437 91.886 19.261 1.00 0.00 C ATOM 274 O6 G C 13 39.258 92.473 18.195 1.00 0.00 O ATOM 275 N1 G C 13 39.653 92.623 20.433 1.00 0.00 N ATOM 276 C2 G C 13 39.867 92.082 21.685 1.00 0.00 C ATOM 277 N2 G C 13 40.059 92.956 22.677 1.00 0.00 N ATOM 278 N3 G C 13 39.886 90.774 21.922 1.00 0.00 N ATOM 279 C4 G C 13 39.674 90.043 20.795 1.00 0.00 C ATOM 280 P U C 14 36.240 83.807 22.725 1.00 0.00 P ATOM 281 O1P U C 14 34.968 83.496 23.421 1.00 0.00 O ATOM 282 O2P U C 14 37.382 82.922 23.051 1.00 0.00 O ATOM 283 O5* U C 14 35.976 84.012 20.937 1.00 0.00 O ATOM 284 C5* U C 14 36.350 83.429 19.684 1.00 0.00 C ATOM 285 C4* U C 14 35.663 84.003 18.324 1.00 0.00 C ATOM 286 O4* U C 14 34.596 83.162 17.792 1.00 0.00 O ATOM 287 C3* U C 14 35.138 85.427 18.130 1.00 0.00 C ATOM 288 O3* U C 14 36.056 86.679 18.126 1.00 0.00 O ATOM 289 C2* U C 14 34.389 85.310 16.807 1.00 0.00 C ATOM 290 O2* U C 14 35.296 85.283 15.717 1.00 0.00 O ATOM 291 C1* U C 14 33.782 83.918 16.915 1.00 0.00 C ATOM 292 N1 U C 14 32.197 83.885 17.500 1.00 0.00 N ATOM 293 C2 U C 14 31.341 84.858 17.046 1.00 0.00 C ATOM 294 O2 U C 14 31.663 85.692 16.220 1.00 0.00 O ATOM 295 N3 U C 14 30.071 84.843 17.593 1.00 0.00 N ATOM 296 C4 U C 14 29.599 83.946 18.533 1.00 0.00 C ATOM 297 O4 U C 14 28.440 84.026 18.948 1.00 0.00 O ATOM 298 C5 U C 14 30.569 82.963 18.947 1.00 0.00 C ATOM 299 C6 U C 14 31.808 82.955 18.433 1.00 0.00 C ATOM 300 P A C 15 35.091 88.210 17.715 1.00 0.00 P ATOM 301 O1P A C 15 34.257 88.474 18.914 1.00 0.00 O ATOM 302 O2P A C 15 34.371 88.149 16.426 1.00 0.00 O ATOM 303 O5* A C 15 36.443 89.434 17.605 1.00 0.00 O ATOM 304 C5* A C 15 36.788 90.829 17.640 1.00 0.00 C ATOM 305 C4* A C 15 35.822 92.003 16.989 1.00 0.00 C ATOM 306 O4* A C 15 35.927 92.626 15.673 1.00 0.00 O ATOM 307 C3* A C 15 35.248 93.111 17.874 1.00 0.00 C ATOM 308 O3* A C 15 36.060 92.631 19.170 1.00 0.00 O ATOM 309 C2* A C 15 35.923 94.359 17.297 1.00 0.00 C ATOM 310 O2* A C 15 37.271 94.441 17.719 1.00 0.00 O ATOM 311 C1* A C 15 35.943 94.037 15.807 1.00 0.00 C ATOM 312 N9 A C 15 34.650 94.667 14.934 1.00 0.00 N ATOM 313 C8 A C 15 33.753 93.996 14.141 1.00 0.00 C ATOM 314 N7 A C 15 32.988 94.769 13.432 1.00 0.00 N ATOM 315 C5 A C 15 33.401 96.051 13.775 1.00 0.00 C ATOM 316 C6 A C 15 32.978 97.321 13.362 1.00 0.00 C ATOM 317 N6 A C 15 31.994 97.523 12.473 1.00 0.00 N ATOM 318 N1 A C 15 33.603 98.388 13.898 1.00 0.00 N ATOM 319 C2 A C 15 34.576 98.181 14.784 1.00 0.00 C ATOM 320 N3 A C 15 35.055 97.046 15.242 1.00 0.00 N ATOM 321 C4 A C 15 34.413 95.996 14.689 1.00 0.00 C ATOM 322 P G C 16 35.679 93.004 20.873 1.00 0.00 P ATOM 323 O1P G C 16 35.199 94.396 21.021 1.00 0.00 O ATOM 324 O2P G C 16 36.672 92.553 21.874 1.00 0.00 O ATOM 325 O5* G C 16 34.433 92.001 20.859 1.00 0.00 O ATOM 326 C5* G C 16 34.301 91.067 19.768 1.00 0.00 C ATOM 327 C4* G C 16 33.130 90.139 20.021 1.00 0.00 C ATOM 328 O4* G C 16 33.446 89.280 21.154 1.00 0.00 O ATOM 329 C3* G C 16 31.817 90.815 20.427 1.00 0.00 C ATOM 330 O3* G C 16 31.101 91.247 19.314 1.00 0.00 O ATOM 331 C2* G C 16 31.107 89.698 21.189 1.00 0.00 C ATOM 332 O2* G C 16 30.572 88.741 20.292 1.00 0.00 O ATOM 333 C1* G C 16 32.273 89.027 21.908 1.00 0.00 C ATOM 334 N9 G C 16 32.495 89.536 23.291 1.00 0.00 N ATOM 335 C8 G C 16 33.490 90.367 23.759 1.00 0.00 C ATOM 336 N7 G C 16 33.402 90.629 25.046 1.00 0.00 N ATOM 337 C5 G C 16 32.269 89.924 25.451 1.00 0.00 C ATOM 338 C6 G C 16 31.669 89.822 26.732 1.00 0.00 C ATOM 339 O6 G C 16 32.016 90.336 27.790 1.00 0.00 O ATOM 340 N1 G C 16 30.531 89.001 26.696 1.00 0.00 N ATOM 341 C2 G C 16 30.039 88.364 25.573 1.00 0.00 C ATOM 342 N2 G C 16 28.941 87.627 25.750 1.00 0.00 N ATOM 343 N3 G C 16 30.604 88.463 24.371 1.00 0.00 N ATOM 344 C4 G C 16 31.710 89.253 24.387 1.00 0.00 C ATOM 345 P C C 17 30.212 92.610 19.438 1.00 0.00 P ATOM 346 O1P C C 17 29.835 93.099 18.091 1.00 0.00 O ATOM 347 O2P C C 17 30.918 93.584 20.301 1.00 0.00 O ATOM 348 O5* C C 17 28.912 92.056 20.192 1.00 0.00 O ATOM 349 C5* C C 17 28.126 91.027 19.566 1.00 0.00 C ATOM 350 C4* C C 17 27.030 90.568 20.503 1.00 0.00 C ATOM 351 O4* C C 17 27.637 89.876 21.632 1.00 0.00 O ATOM 352 C3* C C 17 26.202 91.677 21.155 1.00 0.00 C ATOM 353 O3* C C 17 25.169 92.099 20.323 1.00 0.00 O ATOM 354 C2* C C 17 25.697 90.996 22.423 1.00 0.00 C ATOM 355 O2* C C 17 24.634 90.102 22.126 1.00 0.00 O ATOM 356 C1* C C 17 26.898 90.143 22.816 1.00 0.00 C ATOM 357 N1 C C 17 27.810 90.802 23.787 1.00 0.00 N ATOM 358 C2 C C 17 27.389 90.895 25.111 1.00 0.00 C ATOM 359 O2 C C 17 26.283 90.434 25.418 1.00 0.00 O ATOM 360 N3 C C 17 28.205 91.496 26.016 1.00 0.00 N ATOM 361 C4 C C 17 29.394 91.984 25.644 1.00 0.00 C ATOM 362 N4 C C 17 30.155 92.559 26.563 1.00 0.00 N ATOM 363 C5 C C 17 29.848 91.896 24.287 1.00 0.00 C ATOM 364 C6 C C 17 29.014 91.295 23.399 1.00 0.00 C ATOM 365 P G C 18 25.780 93.855 20.219 1.00 0.00 P ATOM 366 O1P G C 18 24.907 94.183 19.069 1.00 0.00 O ATOM 367 O2P G C 18 27.087 94.547 20.253 1.00 0.00 O ATOM 368 O5* G C 18 24.993 94.119 21.586 1.00 0.00 O ATOM 369 C5* G C 18 23.730 93.464 21.804 1.00 0.00 C ATOM 370 C4* G C 18 23.228 93.752 23.205 1.00 0.00 C ATOM 371 O4* G C 18 24.107 93.101 24.166 1.00 0.00 O ATOM 372 C3* G C 18 23.246 95.223 23.626 1.00 0.00 C ATOM 373 O3* G C 18 22.106 95.894 23.188 1.00 0.00 O ATOM 374 C2* G C 18 23.323 95.116 25.146 1.00 0.00 C ATOM 375 O2* G C 18 22.061 94.769 25.689 1.00 0.00 O ATOM 376 C1* G C 18 24.230 93.907 25.326 1.00 0.00 C ATOM 377 N9 G C 18 25.669 94.255 25.492 1.00 0.00 N ATOM 378 C8 G C 18 26.707 94.125 24.596 1.00 0.00 C ATOM 379 N7 G C 18 27.864 94.531 25.058 1.00 0.00 N ATOM 380 C5 G C 18 27.572 94.961 26.352 1.00 0.00 C ATOM 381 C6 G C 18 28.423 95.507 27.347 1.00 0.00 C ATOM 382 O6 G C 18 29.632 95.728 27.290 1.00 0.00 O ATOM 383 N1 G C 18 27.715 95.807 28.516 1.00 0.00 N ATOM 384 C2 G C 18 26.363 95.608 28.703 1.00 0.00 C ATOM 385 N2 G C 18 25.876 95.962 29.894 1.00 0.00 N ATOM 386 N3 G C 18 25.565 95.097 27.769 1.00 0.00 N ATOM 387 C4 G C 18 26.236 94.797 26.626 1.00 0.00 C ATOM 388 P C C 19 22.236 97.466 22.767 1.00 0.00 P ATOM 389 O1P C C 19 21.043 97.890 22.000 1.00 0.00 O ATOM 390 O2P C C 19 23.539 97.695 22.109 1.00 0.00 O ATOM 391 O5* C C 19 22.228 98.164 24.208 1.00 0.00 O ATOM 392 C5* C C 19 21.079 97.989 25.060 1.00 0.00 C ATOM 393 C4* C C 19 21.336 98.626 26.414 1.00 0.00 C ATOM 394 O4* C C 19 22.375 97.864 27.098 1.00 0.00 O ATOM 395 C3* C C 19 21.881 100.054 26.384 1.00 0.00 C ATOM 396 O3* C C 19 20.858 100.989 26.255 1.00 0.00 O ATOM 397 C2* C C 19 22.602 100.147 27.728 1.00 0.00 C ATOM 398 O2* C C 19 21.672 100.310 28.787 1.00 0.00 O ATOM 399 C1* C C 19 23.187 98.746 27.863 1.00 0.00 C ATOM 400 N1 C C 19 24.585 98.630 27.364 1.00 0.00 N ATOM 401 C2 C C 19 25.599 99.179 28.141 1.00 0.00 C ATOM 402 O2 C C 19 25.300 99.734 29.204 1.00 0.00 O ATOM 403 N3 C C 19 26.880 99.086 27.703 1.00 0.00 N ATOM 404 C4 C C 19 27.164 98.475 26.544 1.00 0.00 C ATOM 405 N4 C C 19 28.429 98.407 26.164 1.00 0.00 N ATOM 406 C5 C C 19 26.133 97.901 25.730 1.00 0.00 C ATOM 407 C6 C C 19 24.861 98.007 26.185 1.00 0.00 C ATOM 408 P G C 20 21.146 102.358 25.413 1.00 0.00 P ATOM 409 O1P G C 20 19.870 103.032 25.081 1.00 0.00 O ATOM 410 O2P G C 20 22.032 102.054 24.268 1.00 0.00 O ATOM 411 O5* G C 20 21.945 103.218 26.504 1.00 0.00 O ATOM 412 C5* G C 20 21.293 103.550 27.743 1.00 0.00 C ATOM 413 C4* G C 20 22.267 104.252 28.667 1.00 0.00 C ATOM 414 O4* G C 20 23.294 103.305 29.080 1.00 0.00 O ATOM 415 C3* G C 20 23.059 105.408 28.050 1.00 0.00 C ATOM 416 O3* G C 20 22.332 106.595 28.079 1.00 0.00 O ATOM 417 C2* G C 20 24.301 105.455 28.935 1.00 0.00 C ATOM 418 O2* G C 20 24.008 106.058 30.184 1.00 0.00 O ATOM 419 C1* G C 20 24.541 103.973 29.206 1.00 0.00 C ATOM 420 N9 G C 20 25.498 103.336 28.260 1.00 0.00 N ATOM 421 C8 G C 20 25.250 102.471 27.213 1.00 0.00 C ATOM 422 N7 G C 20 26.323 102.092 26.567 1.00 0.00 N ATOM 423 C5 G C 20 27.358 102.754 27.227 1.00 0.00 C ATOM 424 C6 G C 20 28.755 102.740 26.980 1.00 0.00 C ATOM 425 O6 G C 20 29.379 102.130 26.116 1.00 0.00 O ATOM 426 N1 G C 20 29.444 103.555 27.890 1.00 0.00 N ATOM 427 C2 G C 20 28.860 104.291 28.904 1.00 0.00 C ATOM 428 N2 G C 20 29.692 105.005 29.664 1.00 0.00 N ATOM 429 N3 G C 20 27.549 104.304 29.130 1.00 0.00 N ATOM 430 C4 G C 20 26.865 103.517 28.259 1.00 0.00 C ATOM 431 P G C 21 22.524 107.662 26.858 1.00 0.00 P ATOM 432 O1P G C 21 21.429 108.659 26.871 1.00 0.00 O ATOM 433 O2P G C 21 22.706 106.929 25.587 1.00 0.00 O ATOM 434 O5* G C 21 23.897 108.364 27.283 1.00 0.00 O ATOM 435 C5* G C 21 23.966 109.063 28.539 1.00 0.00 C ATOM 436 C4* G C 21 25.382 109.535 28.795 1.00 0.00 C ATOM 437 O4* G C 21 26.234 108.375 29.015 1.00 0.00 O ATOM 438 C3* G C 21 26.058 110.269 27.632 1.00 0.00 C ATOM 439 O3* G C 21 25.721 111.621 27.619 1.00 0.00 O ATOM 440 C2* G C 21 27.539 110.036 27.924 1.00 0.00 C ATOM 441 O2* G C 21 27.984 110.871 28.977 1.00 0.00 O ATOM 442 C1* G C 21 27.521 108.611 28.468 1.00 0.00 C ATOM 443 N9 G C 21 27.783 107.571 27.434 1.00 0.00 N ATOM 444 C8 G C 21 26.899 106.692 26.841 1.00 0.00 C ATOM 445 N7 G C 21 27.450 105.897 25.957 1.00 0.00 N ATOM 446 C5 G C 21 28.794 106.273 25.964 1.00 0.00 C ATOM 447 C6 G C 21 29.888 105.773 25.215 1.00 0.00 C ATOM 448 O6 G C 21 29.901 104.876 24.374 1.00 0.00 O ATOM 449 N1 G C 21 31.079 106.440 25.533 1.00 0.00 N ATOM 450 C2 G C 21 31.195 107.462 26.455 1.00 0.00 C ATOM 451 N2 G C 21 32.417 107.969 26.615 1.00 0.00 N ATOM 452 N3 G C 21 30.169 107.932 27.159 1.00 0.00 N ATOM 453 C4 G C 21 29.004 107.295 26.860 1.00 0.00 C ATOM 454 P U C 22 25.586 112.380 26.181 1.00 0.00 P ATOM 455 O1P U C 22 24.880 113.670 26.347 1.00 0.00 O ATOM 456 O2P U C 22 25.009 111.451 25.185 1.00 0.00 O ATOM 457 O5* U C 22 27.128 112.650 25.840 1.00 0.00 O ATOM 458 C5* U C 22 27.908 113.461 26.735 1.00 0.00 C ATOM 459 C4* U C 22 29.356 113.479 26.285 1.00 0.00 C ATOM 460 O4* U C 22 29.923 112.147 26.468 1.00 0.00 O ATOM 461 C3* U C 22 29.595 113.783 24.807 1.00 0.00 C ATOM 462 O3* U C 22 29.610 115.151 24.563 1.00 0.00 O ATOM 463 C2* U C 22 30.948 113.124 24.560 1.00 0.00 C ATOM 464 O2* U C 22 31.999 113.913 25.094 1.00 0.00 O ATOM 465 C1* U C 22 30.848 111.874 25.428 1.00 0.00 C ATOM 466 N1 U C 22 30.368 110.669 24.690 1.00 0.00 N ATOM 467 C2 U C 22 31.254 110.067 23.831 1.00 0.00 C ATOM 468 O2 U C 22 32.388 110.479 23.658 1.00 0.00 O ATOM 469 N3 U C 22 30.773 108.956 23.169 1.00 0.00 N ATOM 470 C4 U C 22 29.511 108.410 23.291 1.00 0.00 C ATOM 471 O4 U C 22 29.194 107.409 22.643 1.00 0.00 O ATOM 472 C5 U C 22 28.654 109.113 24.215 1.00 0.00 C ATOM 473 C6 U C 22 29.093 110.196 24.875 1.00 0.00 C ATOM 474 P G C 23 29.028 115.703 23.140 1.00 0.00 P ATOM 475 O1P G C 23 28.790 117.160 23.211 1.00 0.00 O ATOM 476 O2P G C 23 27.866 114.880 22.731 1.00 0.00 O ATOM 477 O5* G C 23 30.273 115.405 22.175 1.00 0.00 O ATOM 478 C5* G C 23 31.534 116.035 22.445 1.00 0.00 C ATOM 479 C4* G C 23 32.589 115.521 21.490 1.00 0.00 C ATOM 480 O4* G C 23 32.851 114.118 21.790 1.00 0.00 O ATOM 481 C3* G C 23 32.203 115.515 20.009 1.00 0.00 C ATOM 482 O3* G C 23 32.426 116.754 19.420 1.00 0.00 O ATOM 483 C2* G C 23 33.109 114.423 19.447 1.00 0.00 C ATOM 484 O2* G C 23 34.436 114.896 19.304 1.00 0.00 O ATOM 485 C1* G C 23 33.120 113.413 20.587 1.00 0.00 C ATOM 486 N9 G C 23 32.097 112.338 20.446 1.00 0.00 N ATOM 487 C8 G C 23 30.913 112.167 21.130 1.00 0.00 C ATOM 488 N7 G C 23 30.233 111.109 20.764 1.00 0.00 N ATOM 489 C5 G C 23 31.021 110.537 19.764 1.00 0.00 C ATOM 490 C6 G C 23 30.809 109.369 18.986 1.00 0.00 C ATOM 491 O6 G C 23 29.866 108.585 19.021 1.00 0.00 O ATOM 492 N1 G C 23 31.862 109.151 18.087 1.00 0.00 N ATOM 493 C2 G C 23 32.976 109.963 17.956 1.00 0.00 C ATOM 494 N2 G C 23 33.870 109.584 17.038 1.00 0.00 N ATOM 495 N3 G C 23 33.174 111.055 18.686 1.00 0.00 N ATOM 496 C4 G C 23 32.161 111.280 19.565 1.00 0.00 C ATOM 497 P G C 24 32.235 116.767 17.566 1.00 0.00 P ATOM 498 O1P G C 24 33.407 116.099 16.960 1.00 0.00 O ATOM 499 O2P G C 24 31.946 118.135 17.077 1.00 0.00 O ATOM 500 O5* G C 24 30.737 115.700 17.375 1.00 0.00 O ATOM 501 C5* G C 24 30.441 114.810 16.246 1.00 0.00 C ATOM 502 C4* G C 24 28.911 114.646 15.672 1.00 0.00 C ATOM 503 O4* G C 24 27.972 115.722 15.381 1.00 0.00 O ATOM 504 C3* G C 24 28.026 113.404 15.758 1.00 0.00 C ATOM 505 O3* G C 24 28.730 112.149 16.255 1.00 0.00 O ATOM 506 C2* G C 24 26.756 113.956 16.403 1.00 0.00 C ATOM 507 O2* G C 24 26.947 114.160 17.791 1.00 0.00 O ATOM 508 C1* G C 24 26.659 115.334 15.760 1.00 0.00 C ATOM 509 N9 G C 24 25.641 115.406 14.355 1.00 0.00 N ATOM 510 C8 G C 24 25.800 116.148 13.205 1.00 0.00 C ATOM 511 N7 G C 24 24.793 116.059 12.371 1.00 0.00 N ATOM 512 C5 G C 24 23.902 115.200 13.014 1.00 0.00 C ATOM 513 C6 G C 24 22.630 114.725 12.602 1.00 0.00 C ATOM 514 O6 G C 24 22.015 114.975 11.569 1.00 0.00 O ATOM 515 N1 G C 24 22.069 113.870 13.562 1.00 0.00 N ATOM 516 C2 G C 24 22.658 113.518 14.755 1.00 0.00 C ATOM 517 N2 G C 24 21.961 112.685 15.533 1.00 0.00 N ATOM 518 N3 G C 24 23.854 113.961 15.144 1.00 0.00 N ATOM 519 C4 G C 24 24.411 114.795 14.227 1.00 0.00 C ATOM 520 P U C 25 27.787 110.780 17.019 1.00 0.00 P ATOM 521 O1P U C 25 28.739 109.680 17.290 1.00 0.00 O ATOM 522 O2P U C 25 26.559 110.405 16.282 1.00 0.00 O ATOM 523 O5* U C 25 27.397 111.736 18.531 1.00 0.00 O ATOM 524 C5* U C 25 26.869 112.475 19.676 1.00 0.00 C ATOM 525 C4* U C 25 25.331 113.087 19.442 1.00 0.00 C ATOM 526 O4* U C 25 25.052 112.779 18.043 1.00 0.00 O ATOM 527 C3* U C 25 24.095 112.581 20.186 1.00 0.00 C ATOM 528 O3* U C 25 23.805 112.983 21.646 1.00 0.00 O ATOM 529 C2* U C 25 22.975 112.894 19.194 1.00 0.00 C ATOM 530 O2* U C 25 22.663 114.278 19.212 1.00 0.00 O ATOM 531 C1* U C 25 23.653 112.609 17.858 1.00 0.00 C ATOM 532 N1 U C 25 23.388 111.085 17.260 1.00 0.00 N ATOM 533 C2 U C 25 22.088 110.739 16.985 1.00 0.00 C ATOM 534 O2 U C 25 21.158 111.524 17.093 1.00 0.00 O ATOM 535 N3 U C 25 21.895 109.437 16.572 1.00 0.00 N ATOM 536 C4 U C 25 22.871 108.472 16.416 1.00 0.00 C ATOM 537 O4 U C 25 22.575 107.336 16.040 1.00 0.00 O ATOM 538 C5 U C 25 24.204 108.931 16.730 1.00 0.00 C ATOM 539 C6 U C 25 24.420 110.189 17.135 1.00 0.00 C ATOM 540 P C C 26 25.362 113.333 22.548 1.00 0.00 P ATOM 541 O1P C C 26 26.214 114.091 21.603 1.00 0.00 O ATOM 542 O2P C C 26 25.979 112.129 23.152 1.00 0.00 O ATOM 543 O5* C C 26 24.644 114.496 23.755 1.00 0.00 O ATOM 544 C5* C C 26 24.602 115.788 24.383 1.00 0.00 C ATOM 545 C4* C C 26 25.519 115.999 25.649 1.00 0.00 C ATOM 546 O4* C C 26 26.817 116.651 25.559 1.00 0.00 O ATOM 547 C3* C C 26 25.004 116.389 27.034 1.00 0.00 C ATOM 548 O3* C C 26 23.872 115.423 27.544 1.00 0.00 O ATOM 549 C2* C C 26 26.292 116.389 27.861 1.00 0.00 C ATOM 550 O2* C C 26 26.698 115.067 28.161 1.00 0.00 O ATOM 551 C1* C C 26 27.296 116.946 26.860 1.00 0.00 C ATOM 552 N1 C C 26 27.549 118.654 26.969 1.00 0.00 N ATOM 553 C2 C C 26 28.571 119.103 27.800 1.00 0.00 C ATOM 554 O2 C C 26 29.235 118.269 28.430 1.00 0.00 O ATOM 555 N3 C C 26 28.801 120.434 27.892 1.00 0.00 N ATOM 556 C4 C C 26 28.060 121.305 27.192 1.00 0.00 C ATOM 557 N4 C C 26 28.325 122.596 27.315 1.00 0.00 N ATOM 558 C5 C C 26 27.004 120.865 26.333 1.00 0.00 C ATOM 559 C6 C C 26 26.790 119.529 26.258 1.00 0.00 C ATOM 560 P C C 27 22.162 116.054 27.367 1.00 0.00 P ATOM 561 O1P C C 27 21.641 116.283 26.003 1.00 0.00 O ATOM 562 O2P C C 27 22.106 117.212 28.283 1.00 0.00 O ATOM 563 O5* C C 27 21.409 114.553 28.074 1.00 0.00 O ATOM 564 C5* C C 27 20.747 113.799 29.109 1.00 0.00 C ATOM 565 C4* C C 27 21.552 112.432 29.440 1.00 0.00 C ATOM 566 O4* C C 27 22.928 112.433 28.965 1.00 0.00 O ATOM 567 C3* C C 27 21.614 111.657 30.758 1.00 0.00 C ATOM 568 O3* C C 27 20.262 110.998 31.208 1.00 0.00 O ATOM 569 C2* C C 27 22.671 110.597 30.455 1.00 0.00 C ATOM 570 O2* C C 27 22.131 109.569 29.640 1.00 0.00 O ATOM 571 C1* C C 27 23.652 111.381 29.585 1.00 0.00 C ATOM 572 N1 C C 27 24.970 112.060 30.432 1.00 0.00 N ATOM 573 C2 C C 27 25.682 111.233 31.294 1.00 0.00 C ATOM 574 O2 C C 27 25.302 110.064 31.445 1.00 0.00 O ATOM 575 N3 C C 27 26.769 111.734 31.935 1.00 0.00 N ATOM 576 C4 C C 27 27.144 113.006 31.743 1.00 0.00 C ATOM 577 N4 C C 27 28.211 113.447 32.392 1.00 0.00 N ATOM 578 C5 C C 27 26.428 113.872 30.862 1.00 0.00 C ATOM 579 C6 C C 27 25.343 113.354 30.232 1.00 0.00 C ATOM 580 P C C 28 20.141 109.210 31.679 1.00 0.00 P ATOM 581 O1P C C 28 19.469 109.095 32.992 1.00 0.00 O ATOM 582 O2P C C 28 21.415 108.474 31.540 1.00 0.00 O ATOM 583 O5* C C 28 19.019 108.736 30.300 1.00 0.00 O ATOM 584 C5* C C 28 17.969 108.087 29.517 1.00 0.00 C ATOM 585 C4* C C 28 18.354 106.707 28.743 1.00 0.00 C ATOM 586 O4* C C 28 18.661 105.467 29.449 1.00 0.00 O ATOM 587 C3* C C 28 18.062 106.253 27.311 1.00 0.00 C ATOM 588 O3* C C 28 18.114 107.383 26.269 1.00 0.00 O ATOM 589 C2* C C 28 19.054 105.104 27.132 1.00 0.00 C ATOM 590 O2* C C 28 20.366 105.597 26.923 1.00 0.00 O ATOM 591 C1* C C 28 19.038 104.464 28.518 1.00 0.00 C ATOM 592 N1 C C 28 17.959 103.140 28.682 1.00 0.00 N ATOM 593 C2 C C 28 18.458 101.864 28.450 1.00 0.00 C ATOM 594 O2 C C 28 19.653 101.741 28.141 1.00 0.00 O ATOM 595 N3 C C 28 17.624 100.804 28.566 1.00 0.00 N ATOM 596 C4 C C 28 16.337 100.981 28.898 1.00 0.00 C ATOM 597 N4 C C 28 15.562 99.911 28.998 1.00 0.00 N ATOM 598 C5 C C 28 15.802 102.285 29.146 1.00 0.00 C ATOM 599 C6 C C 28 16.655 103.334 29.022 1.00 0.00 C ATOM 600 P A C 29 18.668 107.190 24.508 1.00 0.00 P ATOM 601 O1P A C 29 19.910 107.958 24.276 1.00 0.00 O ATOM 602 O2P A C 29 17.525 107.534 23.630 1.00 0.00 O ATOM 603 O5* A C 29 19.025 105.389 24.406 1.00 0.00 O ATOM 604 C5* A C 29 19.038 104.319 23.404 1.00 0.00 C ATOM 605 C4* A C 29 17.642 103.423 23.477 1.00 0.00 C ATOM 606 O4* A C 29 16.657 104.419 23.883 1.00 0.00 O ATOM 607 C3* A C 29 17.010 102.761 22.249 1.00 0.00 C ATOM 608 O3* A C 29 17.271 101.293 21.813 1.00 0.00 O ATOM 609 C2* A C 29 15.525 102.753 22.623 1.00 0.00 C ATOM 610 O2* A C 29 15.249 101.732 23.567 1.00 0.00 O ATOM 611 C1* A C 29 15.381 104.086 23.354 1.00 0.00 C ATOM 612 N9 A C 29 14.863 105.353 22.397 1.00 0.00 N ATOM 613 C8 A C 29 15.400 106.615 22.286 1.00 0.00 C ATOM 614 N7 A C 29 14.670 107.441 21.603 1.00 0.00 N ATOM 615 C5 A C 29 13.567 106.684 21.234 1.00 0.00 C ATOM 616 C6 A C 29 12.416 106.991 20.487 1.00 0.00 C ATOM 617 N6 A C 29 12.178 108.200 19.955 1.00 0.00 N ATOM 618 N1 A C 29 11.517 106.008 20.306 1.00 0.00 N ATOM 619 C2 A C 29 11.760 104.809 20.836 1.00 0.00 C ATOM 620 N3 A C 29 12.791 104.410 21.544 1.00 0.00 N ATOM 621 C4 A C 29 13.678 105.413 21.713 1.00 0.00 C ATOM 622 P C C 30 18.540 100.134 22.407 1.00 0.00 P ATOM 623 O1P C C 30 17.966 98.872 22.922 1.00 0.00 O ATOM 624 O2P C C 30 19.597 100.750 23.238 1.00 0.00 O ATOM 625 O5* C C 30 19.053 99.992 20.668 1.00 0.00 O ATOM 626 C5* C C 30 18.637 101.183 19.977 1.00 0.00 C ATOM 627 C4* C C 30 19.497 102.499 20.453 1.00 0.00 C ATOM 628 O4* C C 30 20.715 102.273 21.209 1.00 0.00 O ATOM 629 C3* C C 30 19.965 103.297 19.232 1.00 0.00 C ATOM 630 O3* C C 30 18.475 103.969 19.044 1.00 0.00 O ATOM 631 C2* C C 30 21.065 104.174 19.830 1.00 0.00 C ATOM 632 O2* C C 30 20.507 105.247 20.570 1.00 0.00 O ATOM 633 C1* C C 30 21.701 103.221 20.837 1.00 0.00 C ATOM 634 N1 C C 30 23.089 102.363 20.246 1.00 0.00 N ATOM 635 C2 C C 30 24.320 103.001 20.315 1.00 0.00 C ATOM 636 O2 C C 30 24.371 104.165 20.734 1.00 0.00 O ATOM 637 N3 C C 30 25.428 102.323 19.923 1.00 0.00 N ATOM 638 C4 C C 30 25.335 101.064 19.476 1.00 0.00 C ATOM 639 N4 C C 30 26.445 100.447 19.104 1.00 0.00 N ATOM 640 C5 C C 30 24.077 100.389 19.397 1.00 0.00 C ATOM 641 C6 C C 30 22.982 101.085 19.793 1.00 0.00 C ATOM 642 P C C 31 17.371 104.230 17.605 1.00 0.00 P ATOM 643 O1P C C 31 15.894 104.197 17.710 1.00 0.00 O ATOM 644 O2P C C 31 17.951 103.491 16.464 1.00 0.00 O ATOM 645 O5* C C 31 17.878 105.748 17.580 1.00 0.00 O ATOM 646 C5* C C 31 18.835 106.181 18.566 1.00 0.00 C ATOM 647 C4* C C 31 19.266 107.607 18.281 1.00 0.00 C ATOM 648 O4* C C 31 20.032 107.627 17.043 1.00 0.00 O ATOM 649 C3* C C 31 18.133 108.604 18.030 1.00 0.00 C ATOM 650 O3* C C 31 17.622 109.110 19.224 1.00 0.00 O ATOM 651 C2* C C 31 18.832 109.675 17.192 1.00 0.00 C ATOM 652 O2* C C 31 19.649 110.498 18.005 1.00 0.00 O ATOM 653 C1* C C 31 19.768 108.829 16.333 1.00 0.00 C ATOM 654 N1 C C 31 19.197 108.462 15.008 1.00 0.00 N ATOM 655 C2 C C 31 19.127 109.456 14.035 1.00 0.00 C ATOM 656 O2 C C 31 19.536 110.588 14.310 1.00 0.00 O ATOM 657 N3 C C 31 18.609 109.142 12.819 1.00 0.00 N ATOM 658 C4 C C 31 18.177 107.901 12.561 1.00 0.00 C ATOM 659 N4 C C 31 17.682 107.647 11.359 1.00 0.00 N ATOM 660 C5 C C 31 18.243 106.865 13.548 1.00 0.00 C ATOM 661 C6 C C 31 18.760 107.198 14.757 1.00 0.00 C ATOM 662 P U C 32 16.032 109.469 19.304 1.00 0.00 P ATOM 663 O1P U C 32 15.615 109.629 20.718 1.00 0.00 O ATOM 664 O2P U C 32 15.263 108.481 18.517 1.00 0.00 O ATOM 665 O5* U C 32 16.005 110.890 18.571 1.00 0.00 O ATOM 666 C5* U C 32 16.769 111.977 19.125 1.00 0.00 C ATOM 667 C4* U C 32 16.700 113.178 18.204 1.00 0.00 C ATOM 668 O4* U C 32 17.415 112.870 16.973 1.00 0.00 O ATOM 669 C3* U C 32 15.302 113.576 17.730 1.00 0.00 C ATOM 670 O3* U C 32 14.658 114.385 18.665 1.00 0.00 O ATOM 671 C2* U C 32 15.604 114.311 16.425 1.00 0.00 C ATOM 672 O2* U C 32 16.105 115.611 16.684 1.00 0.00 O ATOM 673 C1* U C 32 16.764 113.488 15.873 1.00 0.00 C ATOM 674 N1 U C 32 16.344 112.416 14.926 1.00 0.00 N ATOM 675 C2 U C 32 15.952 112.811 13.670 1.00 0.00 C ATOM 676 O2 U C 32 15.939 113.978 13.314 1.00 0.00 O ATOM 677 N3 U C 32 15.568 111.792 12.821 1.00 0.00 N ATOM 678 C4 U C 32 15.546 110.444 13.117 1.00 0.00 C ATOM 679 O4 U C 32 15.179 109.623 12.271 1.00 0.00 O ATOM 680 C5 U C 32 15.972 110.128 14.459 1.00 0.00 C ATOM 681 C6 U C 32 16.351 111.102 15.304 1.00 0.00 C ATOM 682 P G C 33 13.037 114.257 18.826 1.00 0.00 P ATOM 683 O1P G C 33 12.597 114.901 20.084 1.00 0.00 O ATOM 684 O2P G C 33 12.635 112.842 18.653 1.00 0.00 O ATOM 685 O5* G C 33 12.541 115.119 17.575 1.00 0.00 O ATOM 686 C5* G C 33 12.904 116.512 17.496 1.00 0.00 C ATOM 687 C4* G C 33 12.436 117.094 16.180 1.00 0.00 C ATOM 688 O4* G C 33 13.207 116.493 15.097 1.00 0.00 O ATOM 689 C3* G C 33 10.984 116.806 15.799 1.00 0.00 C ATOM 690 O3* G C 33 10.109 117.715 16.390 1.00 0.00 O ATOM 691 C2* G C 33 11.020 116.930 14.277 1.00 0.00 C ATOM 692 O2* G C 33 11.063 118.289 13.884 1.00 0.00 O ATOM 693 C1* G C 33 12.386 116.333 13.953 1.00 0.00 C ATOM 694 N9 G C 33 12.338 114.882 13.621 1.00 0.00 N ATOM 695 C8 G C 33 12.734 113.801 14.379 1.00 0.00 C ATOM 696 N7 G C 33 12.559 112.643 13.789 1.00 0.00 N ATOM 697 C5 G C 33 12.009 112.979 12.554 1.00 0.00 C ATOM 698 C6 G C 33 11.601 112.149 11.479 1.00 0.00 C ATOM 699 O6 G C 33 11.646 110.924 11.393 1.00 0.00 O ATOM 700 N1 G C 33 11.096 112.904 10.411 1.00 0.00 N ATOM 701 C2 G C 33 10.994 114.281 10.388 1.00 0.00 C ATOM 702 N2 G C 33 10.482 114.812 9.276 1.00 0.00 N ATOM 703 N3 G C 33 11.373 115.059 11.398 1.00 0.00 N ATOM 704 C4 G C 33 11.869 114.345 12.441 1.00 0.00 C ATOM 705 P A C 34 8.626 117.204 16.835 1.00 0.00 P ATOM 706 O1P A C 34 7.999 118.181 17.755 1.00 0.00 O ATOM 707 O2P A C 34 8.713 115.813 17.335 1.00 0.00 O ATOM 708 O5* A C 34 7.864 117.224 15.427 1.00 0.00 O ATOM 709 C5* A C 34 7.746 118.471 14.716 1.00 0.00 C ATOM 710 C4* A C 34 7.107 118.239 13.362 1.00 0.00 C ATOM 711 O4* A C 34 8.030 117.474 12.533 1.00 0.00 O ATOM 712 C3* A C 34 5.831 117.397 13.364 1.00 0.00 C ATOM 713 O3* A C 34 4.710 118.171 13.642 1.00 0.00 O ATOM 714 C2* A C 34 5.818 116.832 11.946 1.00 0.00 C ATOM 715 O2* A C 34 5.406 117.818 11.014 1.00 0.00 O ATOM 716 C1* A C 34 7.305 116.584 11.700 1.00 0.00 C ATOM 717 N9 A C 34 7.740 115.197 12.022 1.00 0.00 N ATOM 718 C8 A C 34 8.474 114.744 13.095 1.00 0.00 C ATOM 719 N7 A C 34 8.690 113.463 13.084 1.00 0.00 N ATOM 720 C5 A C 34 8.059 113.027 11.929 1.00 0.00 C ATOM 721 C6 A C 34 7.922 111.757 11.345 1.00 0.00 C ATOM 722 N6 A C 34 8.441 110.641 11.875 1.00 0.00 N ATOM 723 N1 A C 34 7.232 111.677 10.193 1.00 0.00 N ATOM 724 C2 A C 34 6.721 112.788 9.668 1.00 0.00 C ATOM 725 N3 A C 34 6.782 114.023 10.120 1.00 0.00 N ATOM 726 C4 A C 34 7.478 114.078 11.275 1.00 0.00 C ATOM 727 P C C 35 4.524 118.602 15.433 1.00 0.00 P ATOM 728 O1P C C 35 5.648 119.436 15.919 1.00 0.00 O ATOM 729 O2P C C 35 4.191 117.427 16.268 1.00 0.00 O ATOM 730 O5* C C 35 3.063 119.632 15.134 1.00 0.00 O ATOM 731 C5* C C 35 2.311 120.559 15.922 1.00 0.00 C ATOM 732 C4* C C 35 1.318 121.355 14.930 1.00 0.00 C ATOM 733 O4* C C 35 1.523 122.792 14.815 1.00 0.00 O ATOM 734 C3* C C 35 1.166 120.890 13.481 1.00 0.00 C ATOM 735 O3* C C 35 0.665 119.413 13.319 1.00 0.00 O ATOM 736 C2* C C 35 0.410 122.058 12.850 1.00 0.00 C ATOM 737 O2* C C 35 -0.957 122.024 13.213 1.00 0.00 O ATOM 738 C1* C C 35 1.034 123.252 13.565 1.00 0.00 C ATOM 739 N1 C C 35 2.327 123.994 12.721 1.00 0.00 N ATOM 740 C2 C C 35 2.010 124.831 11.654 1.00 0.00 C ATOM 741 O2 C C 35 0.826 124.987 11.351 1.00 0.00 O ATOM 742 N3 C C 35 3.021 125.439 10.985 1.00 0.00 N ATOM 743 C4 C C 35 4.297 125.244 11.341 1.00 0.00 C ATOM 744 N4 C C 35 5.245 125.861 10.656 1.00 0.00 N ATOM 745 C5 C C 35 4.642 124.388 12.433 1.00 0.00 C ATOM 746 C6 C C 35 3.619 123.788 13.094 1.00 0.00 C ATOM 747 P C C 36 -0.467 118.748 14.636 1.00 0.00 P ATOM 748 O1P C C 36 -1.808 119.325 14.405 1.00 0.00 O ATOM 749 O2P C C 36 0.099 118.953 15.987 1.00 0.00 O ATOM 750 O5* C C 36 -0.501 116.929 14.304 1.00 0.00 O ATOM 751 C5* C C 36 -0.993 115.648 14.849 1.00 0.00 C ATOM 752 C4* C C 36 -2.057 115.668 16.122 1.00 0.00 C ATOM 753 O4* C C 36 -2.200 116.986 16.725 1.00 0.00 O ATOM 754 C3* C C 36 -3.494 115.152 16.027 1.00 0.00 C ATOM 755 O3* C C 36 -3.682 113.626 15.921 1.00 0.00 O ATOM 756 C2* C C 36 -4.120 115.715 17.305 1.00 0.00 C ATOM 757 O2* C C 36 -3.713 114.966 18.435 1.00 0.00 O ATOM 758 C1* C C 36 -3.440 117.072 17.404 1.00 0.00 C ATOM 759 N1 C C 36 -4.322 118.352 16.741 1.00 0.00 N ATOM 760 C2 C C 36 -5.533 118.687 17.340 1.00 0.00 C ATOM 761 O2 C C 36 -5.918 118.038 18.320 1.00 0.00 O ATOM 762 N3 C C 36 -6.254 119.716 16.824 1.00 0.00 N ATOM 763 C4 C C 36 -5.804 120.398 15.761 1.00 0.00 C ATOM 764 N4 C C 36 -6.546 121.394 15.295 1.00 0.00 N ATOM 765 C5 C C 36 -4.561 120.069 15.132 1.00 0.00 C ATOM 766 C6 C C 36 -3.861 119.038 15.661 1.00 0.00 C ATOM 767 H5 C C 36 -4.389 120.427 14.375 1.00 0.00 H ATOM 768 H6 C C 36 -3.034 118.845 15.221 1.00 0.00 H ATOM 769 P C C 37 -4.697 112.974 14.539 1.00 0.00 P ATOM 770 O1P C C 37 -4.099 111.717 14.033 1.00 0.00 O ATOM 771 O2P C C 37 -4.983 114.007 13.518 1.00 0.00 O ATOM 772 O5* C C 37 -6.168 112.599 15.566 1.00 0.00 O ATOM 773 C5* C C 37 -7.327 111.721 15.662 1.00 0.00 C ATOM 774 C4* C C 37 -8.736 112.467 16.031 1.00 0.00 C ATOM 775 O4* C C 37 -8.575 113.885 16.336 1.00 0.00 O ATOM 776 C3* C C 37 -9.998 112.417 15.168 1.00 0.00 C ATOM 777 O3* C C 37 -10.722 111.095 14.886 1.00 0.00 O ATOM 778 C2* C C 37 -10.859 113.507 15.798 1.00 0.00 C ATOM 779 O2* C C 37 -11.435 113.055 17.013 1.00 0.00 O ATOM 780 C1* C C 37 -9.811 114.555 16.166 1.00 0.00 C ATOM 781 N1 C C 37 -9.598 115.786 15.005 1.00 0.00 N ATOM 782 C2 C C 37 -9.576 117.104 15.455 1.00 0.00 C ATOM 783 O2 C C 37 -9.713 117.325 16.664 1.00 0.00 O ATOM 784 N3 C C 37 -9.401 118.097 14.549 1.00 0.00 N ATOM 785 C4 C C 37 -9.251 117.817 13.248 1.00 0.00 C ATOM 786 N4 C C 37 -9.083 118.825 12.402 1.00 0.00 N ATOM 787 C5 C C 37 -9.275 116.470 12.763 1.00 0.00 C ATOM 788 C6 C C 37 -9.451 115.489 13.688 1.00 0.00 C ATOM 789 P C C 38 -11.858 111.144 13.438 1.00 0.00 P ATOM 790 O1P C C 38 -11.548 110.048 12.497 1.00 0.00 O ATOM 791 O2P C C 38 -11.939 112.498 12.850 1.00 0.00 O ATOM 792 O5* C C 38 -13.354 110.783 14.424 1.00 0.00 O ATOM 793 C5* C C 38 -14.649 110.471 14.983 1.00 0.00 C ATOM 794 C4* C C 38 -15.936 111.292 14.379 1.00 0.00 C ATOM 795 O4* C C 38 -15.634 112.361 13.436 1.00 0.00 O ATOM 796 C3* C C 38 -17.132 110.576 13.750 1.00 0.00 C ATOM 797 O3* C C 38 -17.998 109.819 14.801 1.00 0.00 O ATOM 798 C2* C C 38 -17.904 111.732 13.122 1.00 0.00 C ATOM 799 O2* C C 38 -18.607 112.464 14.112 1.00 0.00 O ATOM 800 C1* C C 38 -16.773 112.625 12.630 1.00 0.00 C ATOM 801 N1 C C 38 -16.345 112.394 11.017 1.00 0.00 N ATOM 802 C2 C C 38 -17.348 112.514 10.056 1.00 0.00 C ATOM 803 O2 C C 38 -18.504 112.752 10.429 1.00 0.00 O ATOM 804 N3 C C 38 -17.020 112.358 8.748 1.00 0.00 N ATOM 805 C4 C C 38 -15.756 112.103 8.387 1.00 0.00 C ATOM 806 N4 C C 38 -15.489 111.961 7.099 1.00 0.00 N ATOM 807 C5 C C 38 -14.712 111.977 9.360 1.00 0.00 C ATOM 808 C6 C C 38 -15.061 112.135 10.662 1.00 0.00 C ATOM 809 P A C 39 -18.516 108.117 14.364 1.00 0.00 P ATOM 810 O1P A C 39 -18.152 107.148 15.420 1.00 0.00 O ATOM 811 O2P A C 39 -18.055 107.787 12.997 1.00 0.00 O ATOM 812 O5* A C 39 -20.318 108.421 14.408 1.00 0.00 O ATOM 813 C5* A C 39 -21.666 107.999 14.686 1.00 0.00 C ATOM 814 C4* A C 39 -21.715 106.508 15.293 1.00 0.00 C ATOM 815 O4* A C 39 -20.931 106.033 16.425 1.00 0.00 O ATOM 816 C3* A C 39 -22.657 105.340 14.985 1.00 0.00 C ATOM 817 O3* A C 39 -23.408 105.392 13.647 1.00 0.00 O ATOM 818 C2* A C 39 -21.773 104.129 15.280 1.00 0.00 C ATOM 819 O2* A C 39 -20.845 103.919 14.230 1.00 0.00 O ATOM 820 C1* A C 39 -20.973 104.619 16.484 1.00 0.00 C ATOM 821 N9 A C 39 -21.606 104.170 17.978 1.00 0.00 N ATOM 822 C8 A C 39 -21.940 104.976 19.042 1.00 0.00 C ATOM 823 N7 A C 39 -22.247 104.324 20.124 1.00 0.00 N ATOM 824 C5 A C 39 -22.109 102.993 19.760 1.00 0.00 C ATOM 825 C6 A C 39 -22.294 101.793 20.467 1.00 0.00 C ATOM 826 N6 A C 39 -22.673 101.744 21.753 1.00 0.00 N ATOM 827 N1 A C 39 -22.074 100.642 19.806 1.00 0.00 N ATOM 828 C2 A C 39 -21.696 100.699 18.528 1.00 0.00 C ATOM 829 N3 A C 39 -21.493 101.752 17.767 1.00 0.00 N ATOM 830 C4 A C 39 -21.723 102.890 18.453 1.00 0.00 C ATOM 831 P U C 40 -24.017 103.777 13.039 1.00 0.00 P ATOM 832 O1P U C 40 -25.013 103.914 11.957 1.00 0.00 O ATOM 833 O2P U C 40 -24.402 102.900 14.166 1.00 0.00 O ATOM 834 O5* U C 40 -22.382 103.376 12.353 1.00 0.00 O ATOM 835 C5* U C 40 -21.046 103.224 11.858 1.00 0.00 C ATOM 836 C4* U C 40 -20.322 104.615 11.462 1.00 0.00 C ATOM 837 O4* U C 40 -20.960 105.706 10.739 1.00 0.00 O ATOM 838 C3* U C 40 -18.890 105.107 11.690 1.00 0.00 C ATOM 839 O3* U C 40 -17.845 104.025 12.022 1.00 0.00 O ATOM 840 C2* U C 40 -18.614 105.885 10.401 1.00 0.00 C ATOM 841 O2* U C 40 -18.350 104.997 9.329 1.00 0.00 O ATOM 842 C1* U C 40 -19.972 106.521 10.126 1.00 0.00 C ATOM 843 N1 U C 40 -20.144 108.106 10.715 1.00 0.00 N ATOM 844 C2 U C 40 -19.354 109.073 10.145 1.00 0.00 C ATOM 845 O2 U C 40 -18.530 108.828 9.279 1.00 0.00 O ATOM 846 N3 U C 40 -19.547 110.356 10.624 1.00 0.00 N ATOM 847 C4 U C 40 -20.445 110.740 11.597 1.00 0.00 C ATOM 848 O4 U C 40 -20.527 111.921 11.941 1.00 0.00 O ATOM 849 C5 U C 40 -21.233 109.656 12.134 1.00 0.00 C ATOM 850 C6 U C 40 -21.065 108.399 11.689 1.00 0.00 C ATOM 851 P G C 41 -17.290 103.761 13.741 1.00 0.00 P ATOM 852 O1P G C 41 -18.077 102.701 14.409 1.00 0.00 O ATOM 853 O2P G C 41 -17.096 105.007 14.518 1.00 0.00 O ATOM 854 O5* G C 41 -15.675 103.189 13.123 1.00 0.00 O ATOM 855 C5* G C 41 -14.430 103.878 12.910 1.00 0.00 C ATOM 856 C4* G C 41 -13.132 102.965 13.232 1.00 0.00 C ATOM 857 O4* G C 41 -12.235 103.354 14.309 1.00 0.00 O ATOM 858 C3* G C 41 -13.196 101.442 13.338 1.00 0.00 C ATOM 859 O3* G C 41 -13.997 100.584 12.378 1.00 0.00 O ATOM 860 C2* G C 41 -11.771 101.091 13.758 1.00 0.00 C ATOM 861 O2* G C 41 -10.882 101.174 12.658 1.00 0.00 O ATOM 862 C1* G C 41 -11.433 102.251 14.693 1.00 0.00 C ATOM 863 N9 G C 41 -11.713 101.933 16.360 1.00 0.00 N ATOM 864 C8 G C 41 -12.800 102.267 17.143 1.00 0.00 C ATOM 865 N7 G C 41 -12.657 101.966 18.411 1.00 0.00 N ATOM 866 C5 G C 41 -11.392 101.390 18.476 1.00 0.00 C ATOM 867 C6 G C 41 -10.681 100.864 19.587 1.00 0.00 C ATOM 868 O6 G C 41 -11.031 100.797 20.764 1.00 0.00 O ATOM 869 N1 G C 41 -9.426 100.376 19.205 1.00 0.00 N ATOM 870 C2 G C 41 -8.917 100.391 17.921 1.00 0.00 C ATOM 871 N2 G C 41 -7.696 99.879 17.766 1.00 0.00 N ATOM 872 N3 G C 41 -9.584 100.883 16.880 1.00 0.00 N ATOM 873 C4 G C 41 -10.805 101.367 17.233 1.00 0.00 C ATOM 874 P C C 42 -14.258 98.893 13.023 1.00 0.00 P ATOM 875 O1P C C 42 -15.478 98.256 12.484 1.00 0.00 O ATOM 876 O2P C C 42 -14.088 98.834 14.493 1.00 0.00 O ATOM 877 O5* C C 42 -12.780 98.356 12.113 1.00 0.00 O ATOM 878 C5* C C 42 -12.602 98.440 10.688 1.00 0.00 C ATOM 879 C4* C C 42 -11.212 97.812 10.153 1.00 0.00 C ATOM 880 O4* C C 42 -9.971 98.183 10.818 1.00 0.00 O ATOM 881 C3* C C 42 -11.031 96.328 9.837 1.00 0.00 C ATOM 882 O3* C C 42 -11.847 95.999 8.534 1.00 0.00 O ATOM 883 C2* C C 42 -9.544 96.252 9.506 1.00 0.00 C ATOM 884 O2* C C 42 -9.287 96.762 8.207 1.00 0.00 O ATOM 885 C1* C C 42 -8.955 97.247 10.500 1.00 0.00 C ATOM 886 N1 C C 42 -8.392 96.556 11.946 1.00 0.00 N ATOM 887 C2 C C 42 -7.055 96.182 12.005 1.00 0.00 C ATOM 888 O2 C C 42 -6.338 96.358 11.010 1.00 0.00 O ATOM 889 N3 C C 42 -6.583 95.630 13.152 1.00 0.00 N ATOM 890 C4 C C 42 -7.389 95.454 14.206 1.00 0.00 C ATOM 891 N4 C C 42 -6.879 94.914 15.300 1.00 0.00 N ATOM 892 C5 C C 42 -8.770 95.836 14.165 1.00 0.00 C ATOM 893 C6 C C 42 -9.220 96.384 13.008 1.00 0.00 C ATOM 894 P C C 43 -11.805 97.107 7.013 1.00 0.00 P ATOM 895 O1P C C 43 -13.075 97.870 6.946 1.00 0.00 O ATOM 896 O2P C C 43 -11.504 96.257 5.843 1.00 0.00 O ATOM 897 O5* C C 43 -10.388 98.294 7.260 1.00 0.00 O ATOM 898 C5* C C 43 -9.248 99.229 7.419 1.00 0.00 C ATOM 899 C4* C C 43 -7.656 98.759 7.502 1.00 0.00 C ATOM 900 O4* C C 43 -7.224 97.723 8.429 1.00 0.00 O ATOM 901 C3* C C 43 -6.804 98.516 6.256 1.00 0.00 C ATOM 902 O3* C C 43 -6.788 99.788 5.372 1.00 0.00 O ATOM 903 C2* C C 43 -5.473 98.073 6.859 1.00 0.00 C ATOM 904 O2* C C 43 -4.759 99.180 7.377 1.00 0.00 O ATOM 905 C1* C C 43 -5.939 97.247 8.055 1.00 0.00 C ATOM 906 N1 C C 43 -6.052 95.570 7.762 1.00 0.00 N ATOM 907 C2 C C 43 -4.867 94.849 7.670 1.00 0.00 C ATOM 908 O2 C C 43 -3.791 95.451 7.779 1.00 0.00 O ATOM 909 N3 C C 43 -4.933 93.508 7.463 1.00 0.00 N ATOM 910 C4 C C 43 -6.116 92.893 7.349 1.00 0.00 C ATOM 911 N4 C C 43 -6.130 91.585 7.148 1.00 0.00 N ATOM 912 C5 C C 43 -7.348 93.617 7.442 1.00 0.00 C ATOM 913 C6 C C 43 -7.261 94.959 7.648 1.00 0.00 C ATOM 914 P G C 44 -5.931 101.345 5.921 1.00 0.00 P ATOM 915 O1P G C 44 -6.777 102.535 5.682 1.00 0.00 O ATOM 916 O2P G C 44 -4.598 101.362 5.277 1.00 0.00 O ATOM 917 O5* G C 44 -5.843 101.093 7.747 1.00 0.00 O ATOM 918 C5* G C 44 -5.979 100.904 9.190 1.00 0.00 C ATOM 919 C4* G C 44 -4.822 100.093 10.008 1.00 0.00 C ATOM 920 O4* G C 44 -5.038 98.982 10.924 1.00 0.00 O ATOM 921 C3* G C 44 -3.310 100.084 9.772 1.00 0.00 C ATOM 922 O3* G C 44 -2.793 101.379 9.153 1.00 0.00 O ATOM 923 C2* G C 44 -2.776 99.668 11.138 1.00 0.00 C ATOM 924 O2* G C 44 -2.827 100.751 12.053 1.00 0.00 O ATOM 925 C1* G C 44 -3.829 98.661 11.591 1.00 0.00 C ATOM 926 N9 G C 44 -3.441 97.005 11.251 1.00 0.00 N ATOM 927 C8 G C 44 -4.109 96.101 10.453 1.00 0.00 C ATOM 928 N7 G C 44 -3.625 94.883 10.507 1.00 0.00 N ATOM 929 C5 G C 44 -2.560 94.989 11.399 1.00 0.00 C ATOM 930 C6 G C 44 -1.653 93.997 11.861 1.00 0.00 C ATOM 931 O6 G C 44 -1.602 92.808 11.569 1.00 0.00 O ATOM 932 N1 G C 44 -0.727 94.534 12.765 1.00 0.00 N ATOM 933 C2 G C 44 -0.679 95.855 13.171 1.00 0.00 C ATOM 934 N2 G C 44 0.286 96.171 14.037 1.00 0.00 N ATOM 935 N3 G C 44 -1.530 96.781 12.736 1.00 0.00 N ATOM 936 C4 G C 44 -2.437 96.276 11.859 1.00 0.00 C ATOM 937 P A C 45 -1.890 101.178 7.586 1.00 0.00 P ATOM 938 O1P A C 45 -2.117 102.330 6.686 1.00 0.00 O ATOM 939 O2P A C 45 -2.051 99.840 6.968 1.00 0.00 O ATOM 940 O5* A C 45 -0.351 101.348 8.528 1.00 0.00 O ATOM 941 C5* A C 45 -0.248 102.197 9.684 1.00 0.00 C ATOM 942 C4* A C 45 -0.302 103.779 9.347 1.00 0.00 C ATOM 943 O4* A C 45 -0.849 104.274 8.087 1.00 0.00 O ATOM 944 C3* A C 45 -0.594 104.901 10.343 1.00 0.00 C ATOM 945 O3* A C 45 0.255 104.891 11.624 1.00 0.00 O ATOM 946 C2* A C 45 -0.412 106.151 9.482 1.00 0.00 C ATOM 947 O2* A C 45 0.962 106.422 9.277 1.00 0.00 O ATOM 948 C1* A C 45 -0.979 105.687 8.145 1.00 0.00 C ATOM 949 N9 A C 45 -2.601 106.082 7.893 1.00 0.00 N ATOM 950 C8 A C 45 -3.693 105.245 7.876 1.00 0.00 C ATOM 951 N7 A C 45 -4.831 105.862 7.815 1.00 0.00 N ATOM 952 C5 A C 45 -4.486 107.205 7.791 1.00 0.00 C ATOM 953 C6 A C 45 -5.248 108.381 7.731 1.00 0.00 C ATOM 954 N6 A C 45 -6.588 108.390 7.679 1.00 0.00 N ATOM 955 N1 A C 45 -4.584 109.551 7.721 1.00 0.00 N ATOM 956 C2 A C 45 -3.253 109.540 7.774 1.00 0.00 C ATOM 957 N3 A C 45 -2.439 108.506 7.833 1.00 0.00 N ATOM 958 C4 A C 45 -3.126 107.347 7.839 1.00 0.00 C ATOM 959 P A C 46 -0.129 103.648 12.902 1.00 0.00 P ATOM 960 O1P A C 46 -0.930 102.503 12.412 1.00 0.00 O ATOM 961 O2P A C 46 -0.631 104.304 14.131 1.00 0.00 O ATOM 962 O5* A C 46 1.632 103.211 13.018 1.00 0.00 O ATOM 963 C5* A C 46 3.025 102.877 12.999 1.00 0.00 C ATOM 964 C4* A C 46 3.497 101.993 11.720 1.00 0.00 C ATOM 965 O4* A C 46 2.497 101.558 10.754 1.00 0.00 O ATOM 966 C3* A C 46 4.713 102.342 10.862 1.00 0.00 C ATOM 967 O3* A C 46 6.047 102.500 11.594 1.00 0.00 O ATOM 968 C2* A C 46 4.638 101.288 9.760 1.00 0.00 C ATOM 969 O2* A C 46 5.086 100.029 10.235 1.00 0.00 O ATOM 970 C1* A C 46 3.132 101.172 9.545 1.00 0.00 C ATOM 971 N9 A C 46 2.524 102.131 8.295 1.00 0.00 N ATOM 972 C8 A C 46 2.496 103.503 8.207 1.00 0.00 C ATOM 973 N7 A C 46 2.112 103.949 7.051 1.00 0.00 N ATOM 974 C5 A C 46 1.862 102.801 6.316 1.00 0.00 C ATOM 975 C6 A C 46 1.421 102.595 4.998 1.00 0.00 C ATOM 976 N6 A C 46 1.141 103.595 4.149 1.00 0.00 N ATOM 977 N1 A C 46 1.280 101.322 4.580 1.00 0.00 N ATOM 978 C2 A C 46 1.563 100.337 5.427 1.00 0.00 C ATOM 979 N3 A C 46 1.979 100.405 6.674 1.00 0.00 N ATOM 980 C4 A C 46 2.114 101.689 7.067 1.00 0.00 C ATOM 981 P C C 47 6.643 104.223 11.682 1.00 0.00 P ATOM 982 O1P C C 47 7.992 104.308 12.284 1.00 0.00 O ATOM 983 O2P C C 47 5.626 105.134 12.250 1.00 0.00 O ATOM 984 O5* C C 47 6.720 104.306 9.874 1.00 0.00 O ATOM 985 C5* C C 47 6.983 104.623 8.515 1.00 0.00 C ATOM 986 C4* C C 47 8.530 105.112 8.198 1.00 0.00 C ATOM 987 O4* C C 47 9.204 106.380 7.947 1.00 0.00 O ATOM 988 C3* C C 47 9.560 104.059 7.785 1.00 0.00 C ATOM 989 O3* C C 47 8.296 102.973 7.730 1.00 0.00 O ATOM 990 C2* C C 47 10.235 104.723 6.590 1.00 0.00 C ATOM 991 O2* C C 47 9.410 104.655 5.439 1.00 0.00 O ATOM 992 C1* C C 47 10.267 106.184 7.027 1.00 0.00 C ATOM 993 N1 C C 47 11.715 106.671 7.769 1.00 0.00 N ATOM 994 C2 C C 47 12.842 106.806 6.964 1.00 0.00 C ATOM 995 O2 C C 47 12.761 106.506 5.767 1.00 0.00 O ATOM 996 N3 C C 47 13.994 107.258 7.524 1.00 0.00 N ATOM 997 C4 C C 47 14.043 107.567 8.827 1.00 0.00 C ATOM 998 N4 C C 47 15.192 108.005 9.324 1.00 0.00 N ATOM 999 C5 C C 47 12.895 107.439 9.670 1.00 0.00 C ATOM 1000 C6 C C 47 11.753 106.983 9.093 1.00 0.00 C ATOM 1001 P U C 48 7.514 102.871 5.969 1.00 0.00 P ATOM 1002 O1P U C 48 6.621 101.914 5.280 1.00 0.00 O ATOM 1003 O2P U C 48 8.966 102.613 5.829 1.00 0.00 O ATOM 1004 O5* U C 48 7.184 104.364 5.494 1.00 0.00 O ATOM 1005 C5* U C 48 6.265 104.559 4.404 1.00 0.00 C ATOM 1006 C4* U C 48 6.005 106.040 4.207 1.00 0.00 C ATOM 1007 O4* U C 48 5.267 106.547 5.356 1.00 0.00 O ATOM 1008 C3* U C 48 7.245 106.930 4.141 1.00 0.00 C ATOM 1009 O3* U C 48 7.788 106.961 2.859 1.00 0.00 O ATOM 1010 C2* U C 48 6.689 108.283 4.579 1.00 0.00 C ATOM 1011 O2* U C 48 5.954 108.890 3.530 1.00 0.00 O ATOM 1012 C1* U C 48 5.679 107.872 5.646 1.00 0.00 C ATOM 1013 N1 U C 48 6.229 107.893 7.032 1.00 0.00 N ATOM 1014 C2 U C 48 6.420 109.123 7.612 1.00 0.00 C ATOM 1015 O2 U C 48 6.165 110.171 7.042 1.00 0.00 O ATOM 1016 N3 U C 48 6.934 109.102 8.894 1.00 0.00 N ATOM 1017 C4 U C 48 7.259 107.977 9.625 1.00 0.00 C ATOM 1018 O4 U C 48 7.708 108.083 10.769 1.00 0.00 O ATOM 1019 C5 U C 48 7.024 106.734 8.933 1.00 0.00 C ATOM 1020 C6 U C 48 6.527 106.727 7.686 1.00 0.00 C ATOM 1021 P C C 49 9.407 107.092 2.697 1.00 0.00 P ATOM 1022 O1P C C 49 9.811 106.741 1.317 1.00 0.00 O ATOM 1023 O2P C C 49 10.074 106.332 3.774 1.00 0.00 O ATOM 1024 O5* C C 49 9.606 108.663 2.936 1.00 0.00 O ATOM 1025 C5* C C 49 8.961 109.590 2.047 1.00 0.00 C ATOM 1026 C4* C C 49 9.183 111.012 2.531 1.00 0.00 C ATOM 1027 O4* C C 49 8.461 111.199 3.784 1.00 0.00 O ATOM 1028 C3* C C 49 10.626 111.380 2.877 1.00 0.00 C ATOM 1029 O3* C C 49 11.339 111.764 1.744 1.00 0.00 O ATOM 1030 C2* C C 49 10.434 112.522 3.871 1.00 0.00 C ATOM 1031 O2* C C 49 10.079 113.719 3.196 1.00 0.00 O ATOM 1032 C1* C C 49 9.198 112.061 4.635 1.00 0.00 C ATOM 1033 N1 C C 49 9.514 111.312 5.885 1.00 0.00 N ATOM 1034 C2 C C 49 9.978 112.039 6.976 1.00 0.00 C ATOM 1035 O2 C C 49 10.107 113.264 6.867 1.00 0.00 O ATOM 1036 N3 C C 49 10.270 111.375 8.125 1.00 0.00 N ATOM 1037 C4 C C 49 10.116 110.046 8.205 1.00 0.00 C ATOM 1038 N4 C C 49 10.416 109.448 9.346 1.00 0.00 N ATOM 1039 C5 C C 49 9.641 109.283 7.092 1.00 0.00 C ATOM 1040 C6 C C 49 9.353 109.964 5.955 1.00 0.00 C ATOM 1041 P A C 50 12.932 111.408 1.662 1.00 0.00 P ATOM 1042 O1P A C 50 13.418 111.558 0.273 1.00 0.00 O ATOM 1043 O2P A C 50 13.174 110.089 2.292 1.00 0.00 O ATOM 1044 O5* A C 50 13.548 112.568 2.579 1.00 0.00 O ATOM 1045 C5* A C 50 13.347 113.941 2.197 1.00 0.00 C ATOM 1046 C4* A C 50 13.901 114.862 3.265 1.00 0.00 C ATOM 1047 O4* A C 50 13.086 114.732 4.467 1.00 0.00 O ATOM 1048 C3* A C 50 15.319 114.548 3.745 1.00 0.00 C ATOM 1049 O3* A C 50 16.277 115.114 2.907 1.00 0.00 O ATOM 1050 C2* A C 50 15.325 115.160 5.143 1.00 0.00 C ATOM 1051 O2* A C 50 15.444 116.571 5.076 1.00 0.00 O ATOM 1052 C1* A C 50 13.908 114.857 5.619 1.00 0.00 C ATOM 1053 N9 A C 50 13.795 113.594 6.401 1.00 0.00 N ATOM 1054 C8 A C 50 13.264 112.383 6.019 1.00 0.00 C ATOM 1055 N7 A C 50 13.316 111.474 6.944 1.00 0.00 N ATOM 1056 C5 A C 50 13.924 112.115 8.015 1.00 0.00 C ATOM 1057 C6 A C 50 14.267 111.686 9.306 1.00 0.00 C ATOM 1058 N6 A C 50 14.038 110.444 9.759 1.00 0.00 N ATOM 1059 N1 A C 50 14.856 112.578 10.120 1.00 0.00 N ATOM 1060 C2 A C 50 15.082 113.811 9.666 1.00 0.00 C ATOM 1061 N3 A C 50 14.806 114.324 8.486 1.00 0.00 N ATOM 1062 C4 A C 50 14.216 113.408 7.693 1.00 0.00 C ATOM 1063 P G C 51 17.686 114.320 2.680 1.00 0.00 P ATOM 1064 O1P G C 51 18.398 114.872 1.505 1.00 0.00 O ATOM 1065 O2P G C 51 17.431 112.862 2.653 1.00 0.00 O ATOM 1066 O5* G C 51 18.470 114.708 4.019 1.00 0.00 O ATOM 1067 C5* G C 51 18.742 116.097 4.293 1.00 0.00 C ATOM 1068 C4* G C 51 19.376 116.240 5.661 1.00 0.00 C ATOM 1069 O4* G C 51 18.390 115.897 6.675 1.00 0.00 O ATOM 1070 C3* G C 51 20.547 115.306 5.956 1.00 0.00 C ATOM 1071 O3* G C 51 21.747 115.817 5.464 1.00 0.00 O ATOM 1072 C2* G C 51 20.524 115.232 7.481 1.00 0.00 C ATOM 1073 O2* G C 51 21.062 116.411 8.052 1.00 0.00 O ATOM 1074 C1* G C 51 19.025 115.246 7.764 1.00 0.00 C ATOM 1075 N9 G C 51 18.429 113.888 7.901 1.00 0.00 N ATOM 1076 C8 G C 51 17.628 113.196 7.018 1.00 0.00 C ATOM 1077 N7 G C 51 17.266 112.008 7.444 1.00 0.00 N ATOM 1078 C5 G C 51 17.872 111.907 8.696 1.00 0.00 C ATOM 1079 C6 G C 51 17.847 110.849 9.640 1.00 0.00 C ATOM 1080 O6 G C 51 17.273 109.765 9.566 1.00 0.00 O ATOM 1081 N1 G C 51 18.595 111.164 10.781 1.00 0.00 N ATOM 1082 C2 G C 51 19.284 112.345 10.982 1.00 0.00 C ATOM 1083 N2 G C 51 19.941 112.449 12.140 1.00 0.00 N ATOM 1084 N3 G C 51 19.307 113.336 10.095 1.00 0.00 N ATOM 1085 C4 G C 51 18.583 113.048 8.982 1.00 0.00 C ATOM 1086 P A C 52 23.115 114.596 5.056 1.00 0.00 P ATOM 1087 O1P A C 52 22.592 113.218 5.193 1.00 0.00 O ATOM 1088 O2P A C 52 24.255 114.944 5.935 1.00 0.00 O ATOM 1089 O5* A C 52 23.831 114.887 3.351 1.00 0.00 O ATOM 1090 C5* A C 52 25.240 114.381 3.272 1.00 0.00 C ATOM 1091 C4* A C 52 26.024 114.357 1.855 1.00 0.00 C ATOM 1092 O4* A C 52 27.288 113.645 1.687 1.00 0.00 O ATOM 1093 C3* A C 52 25.301 114.137 0.526 1.00 0.00 C ATOM 1094 O3* A C 52 24.029 114.960 0.471 1.00 0.00 O ATOM 1095 C2* A C 52 26.454 114.163 -0.474 1.00 0.00 C ATOM 1096 O2* A C 52 26.886 115.492 -0.705 1.00 0.00 O ATOM 1097 C1* A C 52 27.557 113.464 0.306 1.00 0.00 C ATOM 1098 N9 A C 52 27.695 111.791 -0.001 1.00 0.00 N ATOM 1099 C8 A C 52 27.344 110.740 0.816 1.00 0.00 C ATOM 1100 N7 A C 52 27.434 109.578 0.248 1.00 0.00 N ATOM 1101 C5 A C 52 27.870 109.867 -1.040 1.00 0.00 C ATOM 1102 C6 A C 52 28.158 109.054 -2.148 1.00 0.00 C ATOM 1103 N6 A C 52 28.042 107.719 -2.135 1.00 0.00 N ATOM 1104 N1 A C 52 28.565 109.665 -3.277 1.00 0.00 N ATOM 1105 C2 A C 52 28.676 110.993 -3.285 1.00 0.00 C ATOM 1106 N3 A C 52 28.435 111.851 -2.314 1.00 0.00 N ATOM 1107 C4 A C 52 28.025 111.215 -1.198 1.00 0.00 C ATOM 1108 P A C 53 24.094 116.673 -0.194 1.00 0.00 P ATOM 1109 O1P A C 53 22.702 117.085 -0.469 1.00 0.00 O ATOM 1110 O2P A C 53 25.037 116.796 -1.330 1.00 0.00 O ATOM 1111 O5* A C 53 24.688 117.498 1.334 1.00 0.00 O ATOM 1112 C5* A C 53 24.682 118.585 2.317 1.00 0.00 C ATOM 1113 C4* A C 53 23.430 119.653 2.190 1.00 0.00 C ATOM 1114 O4* A C 53 22.671 119.452 0.963 1.00 0.00 O ATOM 1115 C3* A C 53 22.357 119.831 3.261 1.00 0.00 C ATOM 1116 O3* A C 53 22.865 120.646 4.494 1.00 0.00 O ATOM 1117 C2* A C 53 21.271 120.593 2.505 1.00 0.00 C ATOM 1118 O2* A C 53 21.628 121.956 2.354 1.00 0.00 O ATOM 1119 C1* A C 53 21.355 119.957 1.122 1.00 0.00 C ATOM 1120 N9 A C 53 20.267 118.694 0.860 1.00 0.00 N ATOM 1121 C8 A C 53 20.391 117.625 0.003 1.00 0.00 C ATOM 1122 N7 A C 53 19.314 116.913 -0.110 1.00 0.00 N ATOM 1123 C5 A C 53 18.405 117.545 0.723 1.00 0.00 C ATOM 1124 C6 A C 53 17.065 117.273 1.047 1.00 0.00 C ATOM 1125 N6 A C 53 16.376 116.241 0.537 1.00 0.00 N ATOM 1126 N1 A C 53 16.452 118.105 1.909 1.00 0.00 N ATOM 1127 C2 A C 53 17.140 119.128 2.413 1.00 0.00 C ATOM 1128 N3 A C 53 18.387 119.478 2.187 1.00 0.00 N ATOM 1129 C4 A C 53 18.976 118.633 1.318 1.00 0.00 C ATOM 1130 P G C 54 22.140 120.369 6.160 1.00 0.00 P ATOM 1131 O1P G C 54 23.218 120.127 7.144 1.00 0.00 O ATOM 1132 O2P G C 54 21.056 119.364 6.135 1.00 0.00 O ATOM 1133 O5* G C 54 21.465 122.064 6.363 1.00 0.00 O ATOM 1134 C5* G C 54 21.315 123.192 7.271 1.00 0.00 C ATOM 1135 C4* G C 54 19.808 123.540 7.804 1.00 0.00 C ATOM 1136 O4* G C 54 18.702 122.763 7.260 1.00 0.00 O ATOM 1137 C3* G C 54 19.443 123.708 9.279 1.00 0.00 C ATOM 1138 O3* G C 54 20.173 124.812 10.046 1.00 0.00 O ATOM 1139 C2* G C 54 17.925 123.851 9.222 1.00 0.00 C ATOM 1140 O2* G C 54 17.564 125.152 8.780 1.00 0.00 O ATOM 1141 C1* G C 54 17.567 122.884 8.102 1.00 0.00 C ATOM 1142 N9 G C 54 17.114 121.307 8.632 1.00 0.00 N ATOM 1143 C8 G C 54 17.471 120.082 8.117 1.00 0.00 C ATOM 1144 N7 G C 54 16.887 119.067 8.710 1.00 0.00 N ATOM 1145 C5 G C 54 16.089 119.661 9.686 1.00 0.00 C ATOM 1146 C6 G C 54 15.227 119.075 10.640 1.00 0.00 C ATOM 1147 O6 G C 54 14.975 117.887 10.831 1.00 0.00 O ATOM 1148 N1 G C 54 14.606 120.050 11.438 1.00 0.00 N ATOM 1149 C2 G C 54 14.802 121.412 11.327 1.00 0.00 C ATOM 1150 N2 G C 54 14.117 122.178 12.183 1.00 0.00 N ATOM 1151 N3 G C 54 15.616 121.963 10.430 1.00 0.00 N ATOM 1152 C4 G C 54 16.222 121.030 9.642 1.00 0.00 C ATOM 1153 P U C 55 21.302 124.233 11.362 1.00 0.00 P ATOM 1154 O1P U C 55 20.673 124.289 12.700 1.00 0.00 O ATOM 1155 O2P U C 55 22.628 124.883 11.244 1.00 0.00 O ATOM 1156 O5* U C 55 21.325 122.539 10.697 1.00 0.00 O ATOM 1157 C5* U C 55 21.217 121.162 11.072 1.00 0.00 C ATOM 1158 C4* U C 55 21.266 120.962 12.681 1.00 0.00 C ATOM 1159 O4* U C 55 20.140 121.437 13.478 1.00 0.00 O ATOM 1160 C3* U C 55 21.671 119.653 13.360 1.00 0.00 C ATOM 1161 O3* U C 55 22.874 118.856 12.897 1.00 0.00 O ATOM 1162 C2* U C 55 21.427 119.967 14.832 1.00 0.00 C ATOM 1163 O2* U C 55 22.460 120.789 15.351 1.00 0.00 O ATOM 1164 C1* U C 55 20.169 120.831 14.761 1.00 0.00 C ATOM 1165 N1 U C 55 18.716 119.984 14.984 1.00 0.00 N ATOM 1166 C2 U C 55 18.804 118.732 15.544 1.00 0.00 C ATOM 1167 O2 U C 55 19.868 118.216 15.842 1.00 0.00 O ATOM 1168 N3 U C 55 17.599 118.089 15.741 1.00 0.00 N ATOM 1169 C4 U C 55 16.345 118.580 15.438 1.00 0.00 C ATOM 1170 O4 U C 55 15.338 117.908 15.665 1.00 0.00 O ATOM 1171 C5 U C 55 16.358 119.900 14.855 1.00 0.00 C ATOM 1172 C6 U C 55 17.514 120.552 14.647 1.00 0.00 C ATOM 1173 P G C 56 24.567 119.335 13.371 1.00 0.00 P ATOM 1174 O1P G C 56 25.062 118.512 14.498 1.00 0.00 O ATOM 1175 O2P G C 56 24.800 120.796 13.489 1.00 0.00 O ATOM 1176 O5* G C 56 25.054 118.674 11.753 1.00 0.00 O ATOM 1177 C5* G C 56 24.304 117.882 10.791 1.00 0.00 C ATOM 1178 C4* G C 56 25.274 117.066 9.787 1.00 0.00 C ATOM 1179 O4* G C 56 26.679 117.439 9.878 1.00 0.00 O ATOM 1180 C3* G C 56 25.313 115.588 9.391 1.00 0.00 C ATOM 1181 O3* G C 56 24.691 114.283 10.056 1.00 0.00 O ATOM 1182 C2* G C 56 26.521 115.538 8.460 1.00 0.00 C ATOM 1183 O2* G C 56 26.199 116.075 7.190 1.00 0.00 O ATOM 1184 C1* G C 56 27.472 116.525 9.132 1.00 0.00 C ATOM 1185 N9 G C 56 28.608 115.809 10.191 1.00 0.00 N ATOM 1186 C8 G C 56 28.810 116.035 11.535 1.00 0.00 C ATOM 1187 N7 G C 56 29.767 115.313 12.060 1.00 0.00 N ATOM 1188 C5 G C 56 30.239 114.556 10.989 1.00 0.00 C ATOM 1189 C6 G C 56 31.275 113.591 10.938 1.00 0.00 C ATOM 1190 O6 G C 56 32.007 113.197 11.842 1.00 0.00 O ATOM 1191 N1 G C 56 31.423 113.067 9.649 1.00 0.00 N ATOM 1192 C2 G C 56 30.662 113.421 8.549 1.00 0.00 C ATOM 1193 N2 G C 56 30.960 112.802 7.404 1.00 0.00 N ATOM 1194 N3 G C 56 29.690 114.328 8.600 1.00 0.00 N ATOM 1195 C4 G C 56 29.539 114.850 9.843 1.00 0.00 C ATOM 1196 P A C 57 23.995 113.082 8.777 1.00 0.00 P ATOM 1197 O1P A C 57 25.025 112.991 7.716 1.00 0.00 O ATOM 1198 O2P A C 57 22.684 113.618 8.356 1.00 0.00 O ATOM 1199 O5* A C 57 23.704 111.306 9.327 1.00 0.00 O ATOM 1200 C5* A C 57 23.650 110.212 8.277 1.00 0.00 C ATOM 1201 C4* A C 57 22.255 109.309 7.919 1.00 0.00 C ATOM 1202 O4* A C 57 21.036 109.969 7.468 1.00 0.00 O ATOM 1203 C3* A C 57 21.749 108.172 8.806 1.00 0.00 C ATOM 1204 O3* A C 57 22.940 108.095 9.830 1.00 0.00 O ATOM 1205 C2* A C 57 20.530 108.801 9.476 1.00 0.00 C ATOM 1206 O2* A C 57 20.929 109.693 10.504 1.00 0.00 O ATOM 1207 C1* A C 57 19.961 109.651 8.347 1.00 0.00 C ATOM 1208 N9 A C 57 18.706 108.884 7.423 1.00 0.00 N ATOM 1209 C8 A C 57 17.367 109.198 7.378 1.00 0.00 C ATOM 1210 N7 A C 57 16.704 108.542 6.472 1.00 0.00 N ATOM 1211 C5 A C 57 17.663 107.740 5.872 1.00 0.00 C ATOM 1212 C6 A C 57 17.594 106.799 4.832 1.00 0.00 C ATOM 1213 N6 A C 57 16.461 106.500 4.181 1.00 0.00 N ATOM 1214 N1 A C 57 18.733 106.172 4.485 1.00 0.00 N ATOM 1215 C2 A C 57 19.855 106.473 5.135 1.00 0.00 C ATOM 1216 N3 A C 57 20.039 107.328 6.118 1.00 0.00 N ATOM 1217 C4 A C 57 18.885 107.940 6.449 1.00 0.00 C ATOM 1218 P A C 58 23.544 107.070 11.266 1.00 0.00 P ATOM 1219 O1P A C 58 24.104 107.987 12.282 1.00 0.00 O ATOM 1220 O2P A C 58 24.509 106.143 10.635 1.00 0.00 O ATOM 1221 O5* A C 58 22.174 106.103 12.069 1.00 0.00 O ATOM 1222 C5* A C 58 21.766 104.851 12.764 1.00 0.00 C ATOM 1223 C4* A C 58 22.396 104.255 14.198 1.00 0.00 C ATOM 1224 O4* A C 58 21.385 104.113 15.241 1.00 0.00 O ATOM 1225 C3* A C 58 23.214 102.966 14.301 1.00 0.00 C ATOM 1226 O3* A C 58 24.592 102.738 13.704 1.00 0.00 O ATOM 1227 C2* A C 58 23.217 102.710 15.807 1.00 0.00 C ATOM 1228 O2* A C 58 24.125 103.575 16.462 1.00 0.00 O ATOM 1229 C1* A C 58 21.810 103.160 16.198 1.00 0.00 C ATOM 1230 N9 A C 58 20.663 101.918 16.257 1.00 0.00 N ATOM 1231 C8 A C 58 19.443 101.850 15.622 1.00 0.00 C ATOM 1232 N7 A C 58 18.716 100.842 15.992 1.00 0.00 N ATOM 1233 C5 A C 58 19.495 100.193 16.936 1.00 0.00 C ATOM 1234 C6 A C 58 19.284 99.039 17.711 1.00 0.00 C ATOM 1235 N6 A C 58 18.164 98.305 17.649 1.00 0.00 N ATOM 1236 N1 A C 58 20.263 98.671 18.553 1.00 0.00 N ATOM 1237 C2 A C 58 21.375 99.403 18.611 1.00 0.00 C ATOM 1238 N3 A C 58 21.684 100.492 17.937 1.00 0.00 N ATOM 1239 C4 A C 58 20.683 100.842 17.102 1.00 0.00 C ATOM 1240 P A C 59 24.871 103.269 11.989 1.00 0.00 P ATOM 1241 O1P A C 59 26.093 104.107 11.989 1.00 0.00 O ATOM 1242 O2P A C 59 23.703 103.835 11.281 1.00 0.00 O ATOM 1243 O5* A C 59 25.093 101.571 11.417 1.00 0.00 O ATOM 1244 C5* A C 59 26.346 100.993 11.527 1.00 0.00 C ATOM 1245 C4* A C 59 26.774 100.357 12.908 1.00 0.00 C ATOM 1246 O4* A C 59 26.050 99.120 13.178 1.00 0.00 O ATOM 1247 C3* A C 59 27.842 100.402 14.001 1.00 0.00 C ATOM 1248 O3* A C 59 29.113 101.338 14.077 1.00 0.00 O ATOM 1249 C2* A C 59 27.104 99.805 15.195 1.00 0.00 C ATOM 1250 O2* A C 59 26.205 100.746 15.754 1.00 0.00 O ATOM 1251 C1* A C 59 26.258 98.726 14.524 1.00 0.00 C ATOM 1252 N9 A C 59 26.939 97.210 14.525 1.00 0.00 N ATOM 1253 C8 A C 59 26.973 96.288 13.503 1.00 0.00 C ATOM 1254 N7 A C 59 27.397 95.115 13.868 1.00 0.00 N ATOM 1255 C5 A C 59 27.671 95.261 15.218 1.00 0.00 C ATOM 1256 C6 A C 59 28.159 94.373 16.187 1.00 0.00 C ATOM 1257 N6 A C 59 28.474 93.093 15.928 1.00 0.00 N ATOM 1258 N1 A C 59 28.318 94.840 17.439 1.00 0.00 N ATOM 1259 C2 A C 59 28.006 96.112 17.688 1.00 0.00 C ATOM 1260 N3 A C 59 27.543 97.032 16.871 1.00 0.00 N ATOM 1261 C4 A C 59 27.398 96.533 15.626 1.00 0.00 C ATOM 1262 P C C 60 30.748 100.489 13.638 1.00 0.00 P ATOM 1263 O1P C C 60 30.666 100.148 12.198 1.00 0.00 O ATOM 1264 O2P C C 60 30.867 99.343 14.565 1.00 0.00 O ATOM 1265 O5* C C 60 31.954 101.513 13.882 1.00 0.00 O ATOM 1266 C5* C C 60 33.023 101.575 12.922 1.00 0.00 C ATOM 1267 C4* C C 60 33.982 102.689 13.284 1.00 0.00 C ATOM 1268 O4* C C 60 33.308 103.968 13.108 1.00 0.00 O ATOM 1269 C3* C C 60 34.449 102.719 14.741 1.00 0.00 C ATOM 1270 O3* C C 60 35.531 101.863 14.947 1.00 0.00 O ATOM 1271 C2* C C 60 34.817 104.189 14.928 1.00 0.00 C ATOM 1272 O2* C C 60 36.062 104.478 14.313 1.00 0.00 O ATOM 1273 C1* C C 60 33.742 104.884 14.100 1.00 0.00 C ATOM 1274 N1 C C 60 32.551 105.299 14.896 1.00 0.00 N ATOM 1275 C2 C C 60 32.685 106.402 15.734 1.00 0.00 C ATOM 1276 O2 C C 60 33.777 106.984 15.785 1.00 0.00 O ATOM 1277 N3 C C 60 31.614 106.798 16.468 1.00 0.00 N ATOM 1278 C4 C C 60 30.449 106.138 16.384 1.00 0.00 C ATOM 1279 N4 C C 60 29.432 106.566 17.118 1.00 0.00 N ATOM 1280 C5 C C 60 30.293 105.004 15.524 1.00 0.00 C ATOM 1281 C6 C C 60 31.376 104.626 14.804 1.00 0.00 C ATOM 1282 P G C 61 35.667 101.105 16.385 1.00 0.00 P ATOM 1283 O1P G C 61 36.633 99.989 16.289 1.00 0.00 O ATOM 1284 O2P G C 61 34.318 100.746 16.881 1.00 0.00 O ATOM 1285 O5* G C 61 36.280 102.276 17.287 1.00 0.00 O ATOM 1286 C5* G C 61 37.554 102.841 16.923 1.00 0.00 C ATOM 1287 C4* G C 61 37.882 104.007 17.831 1.00 0.00 C ATOM 1288 O4* G C 61 36.952 105.094 17.557 1.00 0.00 O ATOM 1289 C3* G C 61 37.719 103.754 19.331 1.00 0.00 C ATOM 1290 O3* G C 61 38.850 103.151 19.874 1.00 0.00 O ATOM 1291 C2* G C 61 37.486 105.164 19.870 1.00 0.00 C ATOM 1292 O2* G C 61 38.702 105.891 19.924 1.00 0.00 O ATOM 1293 C1* G C 61 36.649 105.784 18.757 1.00 0.00 C ATOM 1294 N9 G C 61 35.180 105.684 18.988 1.00 0.00 N ATOM 1295 C8 G C 61 34.256 104.863 18.379 1.00 0.00 C ATOM 1296 N7 G C 61 33.029 105.025 18.813 1.00 0.00 N ATOM 1297 C5 G C 61 33.148 106.024 19.779 1.00 0.00 C ATOM 1298 C6 G C 61 32.161 106.625 20.599 1.00 0.00 C ATOM 1299 O6 G C 61 30.952 106.395 20.643 1.00 0.00 O ATOM 1300 N1 G C 61 32.713 107.596 21.441 1.00 0.00 N ATOM 1301 C2 G C 61 34.049 107.944 21.487 1.00 0.00 C ATOM 1302 N2 G C 61 34.379 108.896 22.361 1.00 0.00 N ATOM 1303 N3 G C 61 34.978 107.377 20.719 1.00 0.00 N ATOM 1304 C4 G C 61 34.457 106.434 19.894 1.00 0.00 C ATOM 1305 P C C 62 38.660 102.084 21.098 1.00 0.00 P ATOM 1306 O1P C C 62 39.895 101.294 21.283 1.00 0.00 O ATOM 1307 O2P C C 62 37.421 101.303 20.884 1.00 0.00 O ATOM 1308 O5* C C 62 38.464 103.080 22.333 1.00 0.00 O ATOM 1309 C5* C C 62 39.524 104.002 22.664 1.00 0.00 C ATOM 1310 C4* C C 62 39.076 104.927 23.778 1.00 0.00 C ATOM 1311 O4* C C 62 38.021 105.799 23.274 1.00 0.00 O ATOM 1312 C3* C C 62 38.439 104.248 24.993 1.00 0.00 C ATOM 1313 O3* C C 62 39.405 103.799 25.891 1.00 0.00 O ATOM 1314 C2* C C 62 37.574 105.368 25.566 1.00 0.00 C ATOM 1315 O2* C C 62 38.370 106.313 26.259 1.00 0.00 O ATOM 1316 C1* C C 62 37.076 106.053 24.299 1.00 0.00 C ATOM 1317 N1 C C 62 35.751 105.558 23.830 1.00 0.00 N ATOM 1318 C2 C C 62 34.622 105.949 24.546 1.00 0.00 C ATOM 1319 O2 C C 62 34.763 106.689 25.527 1.00 0.00 O ATOM 1320 N3 C C 62 33.406 105.509 24.137 1.00 0.00 N ATOM 1321 C4 C C 62 33.292 104.711 23.067 1.00 0.00 C ATOM 1322 N4 C C 62 32.082 104.308 22.709 1.00 0.00 N ATOM 1323 C5 C C 62 34.441 104.295 22.319 1.00 0.00 C ATOM 1324 C6 C C 62 35.647 104.748 22.745 1.00 0.00 C ATOM 1325 P C C 63 39.116 102.433 26.735 1.00 0.00 P ATOM 1326 O1P C C 63 40.372 101.931 27.338 1.00 0.00 O ATOM 1327 O2P C C 63 38.383 101.472 25.882 1.00 0.00 O ATOM 1328 O5* C C 63 38.150 102.988 27.883 1.00 0.00 O ATOM 1329 C5* C C 63 38.637 104.005 28.776 1.00 0.00 C ATOM 1330 C4* C C 63 37.524 104.466 29.695 1.00 0.00 C ATOM 1331 O4* C C 63 36.526 105.173 28.903 1.00 0.00 O ATOM 1332 C3* C C 63 36.728 103.360 30.387 1.00 0.00 C ATOM 1333 O3* C C 63 37.362 102.923 31.546 1.00 0.00 O ATOM 1334 C2* C C 63 35.397 104.050 30.666 1.00 0.00 C ATOM 1335 O2* C C 63 35.510 104.933 31.771 1.00 0.00 O ATOM 1336 C1* C C 63 35.229 104.917 29.421 1.00 0.00 C ATOM 1337 N1 C C 63 34.425 104.272 28.346 1.00 0.00 N ATOM 1338 C2 C C 63 33.046 104.185 28.531 1.00 0.00 C ATOM 1339 O2 C C 63 32.554 104.646 29.567 1.00 0.00 O ATOM 1340 N3 C C 63 32.296 103.600 27.561 1.00 0.00 N ATOM 1341 C4 C C 63 32.870 103.115 26.455 1.00 0.00 C ATOM 1342 N4 C C 63 32.092 102.552 25.541 1.00 0.00 N ATOM 1343 C5 C C 63 34.285 103.193 26.246 1.00 0.00 C ATOM 1344 C6 C C 63 35.017 103.779 27.226 1.00 0.00 C ATOM 1345 P G C 64 37.231 101.352 31.970 1.00 0.00 P ATOM 1346 O1P G C 64 38.247 101.011 32.990 1.00 0.00 O ATOM 1347 O2P G C 64 37.237 100.512 30.749 1.00 0.00 O ATOM 1348 O5* G C 64 35.775 101.338 32.629 1.00 0.00 O ATOM 1349 C5* G C 64 35.523 102.162 33.784 1.00 0.00 C ATOM 1350 C4* G C 64 34.058 102.090 34.162 1.00 0.00 C ATOM 1351 O4* G C 64 33.268 102.731 33.120 1.00 0.00 O ATOM 1352 C3* G C 64 33.462 100.684 34.261 1.00 0.00 C ATOM 1353 O3* G C 64 33.706 100.111 35.507 1.00 0.00 O ATOM 1354 C2* G C 64 31.980 100.945 34.013 1.00 0.00 C ATOM 1355 O2* G C 64 31.367 101.500 35.162 1.00 0.00 O ATOM 1356 C1* G C 64 32.034 102.049 32.963 1.00 0.00 C ATOM 1357 N9 G C 64 31.961 101.547 31.560 1.00 0.00 N ATOM 1358 C8 G C 64 32.960 101.451 30.618 1.00 0.00 C ATOM 1359 N7 G C 64 32.563 100.961 29.467 1.00 0.00 N ATOM 1360 C5 G C 64 31.204 100.715 29.662 1.00 0.00 C ATOM 1361 C6 G C 64 30.236 100.183 28.774 1.00 0.00 C ATOM 1362 O6 G C 64 30.378 99.815 27.611 1.00 0.00 O ATOM 1363 N1 G C 64 28.976 100.100 29.382 1.00 0.00 N ATOM 1364 C2 G C 64 28.690 100.482 30.678 1.00 0.00 C ATOM 1365 N2 G C 64 27.424 100.322 31.072 1.00 0.00 N ATOM 1366 N3 G C 64 29.600 100.980 31.512 1.00 0.00 N ATOM 1367 C4 G C 64 30.828 101.068 30.938 1.00 0.00 C ATOM 1368 H8 G C 64 33.758 101.654 30.883 1.00 0.00 H ATOM 1369 H1 G C 64 28.287 99.834 29.026 1.00 0.00 H ATOM 1370 P U C 65 33.944 98.497 35.597 1.00 0.00 P ATOM 1371 O1P U C 65 34.540 98.138 36.903 1.00 0.00 O ATOM 1372 O2P U C 65 34.689 98.042 34.403 1.00 0.00 O ATOM 1373 O5* U C 65 32.432 97.971 35.528 1.00 0.00 O ATOM 1374 C5* U C 65 31.506 98.373 36.552 1.00 0.00 C ATOM 1375 C4* U C 65 30.118 97.864 36.223 1.00 0.00 C ATOM 1376 O4* U C 65 29.628 98.562 35.041 1.00 0.00 O ATOM 1377 C3* U C 65 30.023 96.385 35.843 1.00 0.00 C ATOM 1378 O3* U C 65 29.939 95.572 36.971 1.00 0.00 O ATOM 1379 C2* U C 65 28.752 96.354 34.996 1.00 0.00 C ATOM 1380 O2* U C 65 27.600 96.422 35.822 1.00 0.00 O ATOM 1381 C1* U C 65 28.843 97.680 34.253 1.00 0.00 C ATOM 1382 N1 U C 65 29.481 97.570 32.909 1.00 0.00 N ATOM 1383 C2 U C 65 28.736 96.995 31.908 1.00 0.00 C ATOM 1384 O2 U C 65 27.601 96.582 32.079 1.00 0.00 O ATOM 1385 N3 U C 65 29.362 96.909 30.680 1.00 0.00 N ATOM 1386 C4 U C 65 30.638 97.341 30.378 1.00 0.00 C ATOM 1387 O4 U C 65 31.089 97.210 29.238 1.00 0.00 O ATOM 1388 C5 U C 65 31.340 97.930 31.492 1.00 0.00 C ATOM 1389 C6 U C 65 30.756 98.023 32.699 1.00 0.00 C ATOM 1390 P A C 66 31.099 95.798 38.383 1.00 0.00 P ATOM 1391 O1P A C 66 30.880 94.751 39.404 1.00 0.00 O ATOM 1392 O2P A C 66 31.110 97.192 38.882 1.00 0.00 O ATOM 1393 O5* A C 66 32.558 95.400 37.366 1.00 0.00 O ATOM 1394 C5* A C 66 32.718 94.077 36.822 1.00 0.00 C ATOM 1395 C4* A C 66 31.598 93.817 35.688 1.00 0.00 C ATOM 1396 O4* A C 66 31.979 94.223 34.344 1.00 0.00 O ATOM 1397 C3* A C 66 30.759 92.556 35.467 1.00 0.00 C ATOM 1398 O3* A C 66 29.927 92.038 36.762 1.00 0.00 O ATOM 1399 C2* A C 66 30.023 92.888 34.168 1.00 0.00 C ATOM 1400 O2* A C 66 28.961 93.794 34.411 1.00 0.00 O ATOM 1401 C1* A C 66 31.094 93.651 33.396 1.00 0.00 C ATOM 1402 N9 A C 66 32.004 92.700 32.318 1.00 0.00 N ATOM 1403 C8 A C 66 32.963 91.755 32.611 1.00 0.00 C ATOM 1404 N7 A C 66 33.618 91.328 31.577 1.00 0.00 N ATOM 1405 C5 A C 66 33.063 92.029 30.516 1.00 0.00 C ATOM 1406 C6 A C 66 33.326 92.023 29.134 1.00 0.00 C ATOM 1407 N6 A C 66 34.261 91.252 28.567 1.00 0.00 N ATOM 1408 N1 A C 66 32.593 92.845 28.365 1.00 0.00 N ATOM 1409 C2 A C 66 31.663 93.605 28.937 1.00 0.00 C ATOM 1410 N3 A C 66 31.328 93.697 30.209 1.00 0.00 N ATOM 1411 C4 A C 66 32.078 92.868 30.957 1.00 0.00 C ATOM 1412 P G C 67 28.350 92.846 37.358 1.00 0.00 P ATOM 1413 O1P G C 67 28.599 94.173 36.749 1.00 0.00 O ATOM 1414 O2P G C 67 27.776 92.862 38.722 1.00 0.00 O ATOM 1415 O5* G C 67 27.425 91.969 36.389 1.00 0.00 O ATOM 1416 C5* G C 67 26.091 91.635 36.814 1.00 0.00 C ATOM 1417 C4* G C 67 25.355 90.918 35.700 1.00 0.00 C ATOM 1418 O4* G C 67 25.126 91.853 34.607 1.00 0.00 O ATOM 1419 C3* G C 67 26.111 89.761 35.042 1.00 0.00 C ATOM 1420 O3* G C 67 25.959 88.578 35.762 1.00 0.00 O ATOM 1421 C2* G C 67 25.457 89.697 33.664 1.00 0.00 C ATOM 1422 O2* G C 67 24.181 89.088 33.739 1.00 0.00 O ATOM 1423 C1* G C 67 25.226 91.177 33.365 1.00 0.00 C ATOM 1424 N9 G C 67 26.322 91.808 32.582 1.00 0.00 N ATOM 1425 C8 G C 67 27.301 92.684 33.004 1.00 0.00 C ATOM 1426 N7 G C 67 28.128 93.058 32.054 1.00 0.00 N ATOM 1427 C5 G C 67 27.661 92.383 30.926 1.00 0.00 C ATOM 1428 C6 G C 67 28.149 92.389 29.593 1.00 0.00 C ATOM 1429 O6 G C 67 29.105 93.000 29.126 1.00 0.00 O ATOM 1430 N1 G C 67 27.382 91.559 28.767 1.00 0.00 N ATOM 1431 C2 G C 67 26.285 90.823 29.167 1.00 0.00 C ATOM 1432 N2 G C 67 25.686 90.095 28.224 1.00 0.00 N ATOM 1433 N3 G C 67 25.827 90.817 30.420 1.00 0.00 N ATOM 1434 C4 G C 67 26.564 91.619 31.239 1.00 0.00 C ATOM 1435 P C C 68 27.204 87.520 35.801 1.00 0.00 P ATOM 1436 O1P C C 68 27.002 86.532 36.885 1.00 0.00 O ATOM 1437 O2P C C 68 28.482 88.263 35.835 1.00 0.00 O ATOM 1438 O5* C C 68 27.030 86.805 34.379 1.00 0.00 O ATOM 1439 C5* C C 68 25.809 86.096 34.096 1.00 0.00 C ATOM 1440 C4* C C 68 25.811 85.606 32.662 1.00 0.00 C ATOM 1441 O4* C C 68 25.737 86.762 31.774 1.00 0.00 O ATOM 1442 C3* C C 68 27.076 84.876 32.208 1.00 0.00 C ATOM 1443 O3* C C 68 27.037 83.529 32.556 1.00 0.00 O ATOM 1444 C2* C C 68 27.048 85.098 30.697 1.00 0.00 C ATOM 1445 O2* C C 68 26.094 84.247 30.082 1.00 0.00 O ATOM 1446 C1* C C 68 26.502 86.519 30.603 1.00 0.00 C ATOM 1447 N1 C C 68 27.561 87.563 30.522 1.00 0.00 N ATOM 1448 C2 C C 68 28.250 87.697 29.319 1.00 0.00 C ATOM 1449 O2 C C 68 27.952 86.952 28.377 1.00 0.00 O ATOM 1450 N3 C C 68 29.217 88.642 29.223 1.00 0.00 N ATOM 1451 C4 C C 68 29.506 89.432 30.268 1.00 0.00 C ATOM 1452 N4 C C 68 30.460 90.340 30.123 1.00 0.00 N ATOM 1453 C5 C C 68 28.810 89.308 31.514 1.00 0.00 C ATOM 1454 C6 C C 68 27.846 88.359 31.587 1.00 0.00 C ATOM 1455 P G C 69 25.420 82.619 32.621 1.00 0.00 P ATOM 1456 O1P G C 69 25.553 81.279 32.004 1.00 0.00 O ATOM 1457 O2P G C 69 24.223 83.396 32.221 1.00 0.00 O ATOM 1458 O5* G C 69 25.464 82.626 34.431 1.00 0.00 O ATOM 1459 C5* G C 69 25.607 83.852 35.123 1.00 0.00 C ATOM 1460 C4* G C 69 26.329 83.459 36.471 1.00 0.00 C ATOM 1461 O4* G C 69 27.224 84.415 37.107 1.00 0.00 O ATOM 1462 C3* G C 69 25.591 82.813 37.648 1.00 0.00 C ATOM 1463 O3* G C 69 25.084 81.362 37.355 1.00 0.00 O ATOM 1464 C2* G C 69 26.681 82.754 38.715 1.00 0.00 C ATOM 1465 O2* G C 69 27.588 81.702 38.449 1.00 0.00 O ATOM 1466 C1* G C 69 27.428 84.059 38.466 1.00 0.00 C ATOM 1467 N9 G C 69 26.928 85.355 39.438 1.00 0.00 N ATOM 1468 C8 G C 69 25.726 85.541 40.083 1.00 0.00 C ATOM 1469 N7 G C 69 25.704 86.579 40.884 1.00 0.00 N ATOM 1470 C5 G C 69 26.983 87.118 40.765 1.00 0.00 C ATOM 1471 C6 G C 69 27.562 88.252 41.389 1.00 0.00 C ATOM 1472 O6 G C 69 27.055 89.029 42.194 1.00 0.00 O ATOM 1473 N1 G C 69 28.891 88.441 40.982 1.00 0.00 N ATOM 1474 C2 G C 69 29.571 87.638 40.087 1.00 0.00 C ATOM 1475 N2 G C 69 30.832 87.989 39.827 1.00 0.00 N ATOM 1476 N3 G C 69 29.031 86.574 39.501 1.00 0.00 N ATOM 1477 C4 G C 69 27.739 86.378 39.882 1.00 0.00 C ATOM 1478 P C C 70 26.138 79.796 37.187 1.00 0.00 P ATOM 1479 O1P C C 70 25.217 78.948 36.393 1.00 0.00 O ATOM 1480 O2P C C 70 26.759 79.238 38.420 1.00 0.00 O ATOM 1481 O5* C C 70 27.280 80.329 36.210 1.00 0.00 O ATOM 1482 C5* C C 70 27.049 80.460 34.808 1.00 0.00 C ATOM 1483 C4* C C 70 27.949 81.524 34.225 1.00 0.00 C ATOM 1484 O4* C C 70 28.008 82.656 35.138 1.00 0.00 O ATOM 1485 C3* C C 70 29.411 81.142 34.040 1.00 0.00 C ATOM 1486 O3* C C 70 29.629 80.389 32.850 1.00 0.00 O ATOM 1487 C2* C C 70 30.080 82.508 34.002 1.00 0.00 C ATOM 1488 O2* C C 70 29.837 83.168 32.773 1.00 0.00 O ATOM 1489 C1* C C 70 29.309 83.224 35.108 1.00 0.00 C ATOM 1490 N1 C C 70 29.923 83.079 36.438 1.00 0.00 N ATOM 1491 C2 C C 70 31.100 83.782 36.727 1.00 0.00 C ATOM 1492 O2 C C 70 31.609 84.496 35.849 1.00 0.00 O ATOM 1493 N3 C C 70 31.652 83.668 37.955 1.00 0.00 N ATOM 1494 C4 C C 70 31.067 82.901 38.876 1.00 0.00 C ATOM 1495 N4 C C 70 31.637 82.823 40.079 1.00 0.00 N ATOM 1496 C5 C C 70 29.868 82.179 38.607 1.00 0.00 C ATOM 1497 C6 C C 70 29.350 82.279 37.382 1.00 0.00 C ATOM 1498 P C C 71 30.919 79.436 32.735 1.00 0.00 P ATOM 1499 O1P C C 71 30.890 78.755 31.418 1.00 0.00 O ATOM 1500 O2P C C 71 30.966 78.619 33.976 1.00 0.00 O ATOM 1501 O5* C C 71 32.144 80.459 32.725 1.00 0.00 O ATOM 1502 C5* C C 71 32.343 81.369 31.642 1.00 0.00 C ATOM 1503 C4* C C 71 33.690 82.044 31.770 1.00 0.00 C ATOM 1504 O4* C C 71 33.668 82.920 32.929 1.00 0.00 O ATOM 1505 C3* C C 71 34.860 81.100 32.009 1.00 0.00 C ATOM 1506 O3* C C 71 35.413 80.649 30.776 1.00 0.00 O ATOM 1507 C2* C C 71 35.843 81.954 32.804 1.00 0.00 C ATOM 1508 O2* C C 71 36.606 82.784 31.949 1.00 0.00 O ATOM 1509 C1* C C 71 34.900 82.837 33.621 1.00 0.00 C ATOM 1510 N1 C C 71 34.630 82.347 34.986 1.00 0.00 N ATOM 1511 C2 C C 71 35.563 82.604 35.998 1.00 0.00 C ATOM 1512 O2 C C 71 36.607 83.212 35.717 1.00 0.00 O ATOM 1513 N3 C C 71 35.303 82.186 37.258 1.00 0.00 N ATOM 1514 C4 C C 71 34.166 81.544 37.526 1.00 0.00 C ATOM 1515 N4 C C 71 33.943 81.167 38.784 1.00 0.00 N ATOM 1516 C5 C C 71 33.204 81.259 36.515 1.00 0.00 C ATOM 1517 C6 C C 71 33.478 81.666 35.270 1.00 0.00 C ATOM 1518 P G C 72 35.761 79.094 30.579 1.00 0.00 P ATOM 1519 O1P G C 72 36.361 78.916 29.234 1.00 0.00 O ATOM 1520 O2P G C 72 34.533 78.335 30.934 1.00 0.00 O ATOM 1521 O5* G C 72 36.898 78.824 31.666 1.00 0.00 O ATOM 1522 C5* G C 72 38.230 79.300 31.472 1.00 0.00 C ATOM 1523 C4* G C 72 38.953 79.403 32.800 1.00 0.00 C ATOM 1524 O4* G C 72 38.185 80.253 33.701 1.00 0.00 O ATOM 1525 C3* G C 72 39.113 78.102 33.573 1.00 0.00 C ATOM 1526 O3* G C 72 40.223 77.334 33.117 1.00 0.00 O ATOM 1527 C2* G C 72 39.272 78.602 35.003 1.00 0.00 C ATOM 1528 O2* G C 72 40.558 79.155 35.229 1.00 0.00 O ATOM 1529 C1* G C 72 38.248 79.734 35.021 1.00 0.00 C ATOM 1530 N9 G C 72 36.913 79.291 35.410 1.00 0.00 N ATOM 1531 C8 G C 72 35.859 79.008 34.576 1.00 0.00 C ATOM 1532 N7 G C 72 34.786 78.623 35.212 1.00 0.00 N ATOM 1533 C5 G C 72 35.154 78.649 36.548 1.00 0.00 C ATOM 1534 C6 G C 72 34.410 78.330 37.711 1.00 0.00 C ATOM 1535 O6 G C 72 33.236 77.950 37.797 1.00 0.00 O ATOM 1536 N1 G C 72 35.169 78.489 38.865 1.00 0.00 N ATOM 1537 C2 G C 72 36.474 78.909 38.899 1.00 0.00 C ATOM 1538 N2 G C 72 37.032 78.997 40.111 1.00 0.00 N ATOM 1539 N3 G C 72 37.181 79.216 37.824 1.00 0.00 N ATOM 1540 C4 G C 72 36.463 79.062 36.690 1.00 0.00 C ATOM 1541 P A C 73 40.553 75.922 33.809 1.00 0.00 P ATOM 1542 O1P A C 73 41.138 75.022 32.785 1.00 0.00 O ATOM 1543 O2P A C 73 39.325 75.493 34.535 1.00 0.00 O ATOM 1544 O5* A C 73 41.696 76.276 34.867 1.00 0.00 O ATOM 1545 C5* A C 73 43.076 76.054 34.572 1.00 0.00 C ATOM 1546 C4* A C 73 43.801 77.368 34.369 1.00 0.00 C ATOM 1547 O4* A C 73 43.146 78.418 35.141 1.00 0.00 O ATOM 1548 C3* A C 73 45.247 77.365 34.851 1.00 0.00 C ATOM 1549 O3* A C 73 46.146 76.949 33.827 1.00 0.00 O ATOM 1550 C2* A C 73 45.468 78.813 35.263 1.00 0.00 C ATOM 1551 O2* A C 73 45.667 79.645 34.136 1.00 0.00 O ATOM 1552 C1* A C 73 44.113 79.136 35.885 1.00 0.00 C ATOM 1553 N9 A C 73 43.981 78.753 37.291 1.00 0.00 N ATOM 1554 C8 A C 73 42.936 78.074 37.860 1.00 0.00 C ATOM 1555 N7 A C 73 43.071 77.877 39.145 1.00 0.00 N ATOM 1556 C5 A C 73 44.289 78.463 39.450 1.00 0.00 C ATOM 1557 C6 A C 73 45.002 78.583 40.653 1.00 0.00 C ATOM 1558 N6 A C 73 44.565 78.110 41.824 1.00 0.00 N ATOM 1559 N1 A C 73 46.193 79.214 40.615 1.00 0.00 N ATOM 1560 C2 A C 73 46.627 79.694 39.440 1.00 0.00 C ATOM 1561 N3 A C 73 46.045 79.644 38.243 1.00 0.00 N ATOM 1562 C4 A C 73 44.864 79.008 38.316 1.00 0.00 C ATOM 1563 P U C 74 47.025 75.618 34.030 1.00 0.00 P ATOM 1564 O1P U C 74 48.161 75.655 33.078 1.00 0.00 O ATOM 1565 O2P U C 74 46.074 74.476 33.991 1.00 0.00 O ATOM 1566 O5* U C 74 47.617 75.776 35.505 1.00 0.00 O ATOM 1567 C5* U C 74 48.547 76.812 35.818 1.00 0.00 C ATOM 1568 C4* U C 74 49.030 76.674 37.246 1.00 0.00 C ATOM 1569 O4* U C 74 48.024 77.191 38.156 1.00 0.00 O ATOM 1570 C3* U C 74 49.248 75.257 37.751 1.00 0.00 C ATOM 1571 O3* U C 74 50.481 74.708 37.298 1.00 0.00 O ATOM 1572 C2* U C 74 49.215 75.450 39.262 1.00 0.00 C ATOM 1573 O2* U C 74 50.440 75.972 39.742 1.00 0.00 O ATOM 1574 C1* U C 74 48.136 76.527 39.405 1.00 0.00 C ATOM 1575 N1 U C 74 46.818 75.986 39.774 1.00 0.00 N ATOM 1576 C2 U C 74 46.638 75.552 41.081 1.00 0.00 C ATOM 1577 O2 U C 74 47.513 75.611 41.928 1.00 0.00 O ATOM 1578 N3 U C 74 45.394 75.047 41.358 1.00 0.00 N ATOM 1579 C4 U C 74 44.334 74.936 40.492 1.00 0.00 C ATOM 1580 O4 U C 74 43.280 74.439 40.891 1.00 0.00 O ATOM 1581 C5 U C 74 44.592 75.409 39.169 1.00 0.00 C ATOM 1582 C6 U C 74 45.793 75.907 38.857 1.00 0.00 C ATOM 1583 P G C 75 50.469 72.835 37.228 1.00 0.00 P ATOM 1584 O1P G C 75 51.769 72.304 36.754 1.00 0.00 O ATOM 1585 O2P G C 75 49.211 72.378 36.574 1.00 0.00 O ATOM 1586 O5* G C 75 50.525 72.727 39.070 1.00 0.00 O ATOM 1587 C5* G C 75 51.274 73.034 40.282 1.00 0.00 C ATOM 1588 C4* G C 75 50.265 73.280 41.826 1.00 0.00 C ATOM 1589 O4* G C 75 49.122 73.714 42.609 1.00 0.00 O ATOM 1590 C3* G C 75 50.246 71.767 41.992 1.00 0.00 C ATOM 1591 O3* G C 75 51.156 70.139 41.720 1.00 0.00 O ATOM 1592 C2* G C 75 49.846 71.609 43.458 1.00 0.00 C ATOM 1593 O2* G C 75 50.949 71.829 44.317 1.00 0.00 O ATOM 1594 C1* G C 75 48.858 72.763 43.627 1.00 0.00 C ATOM 1595 N9 G C 75 47.081 72.268 43.485 1.00 0.00 N ATOM 1596 C8 G C 75 46.049 73.020 42.975 1.00 0.00 C ATOM 1597 N7 G C 75 45.016 72.307 42.628 1.00 0.00 N ATOM 1598 C5 G C 75 45.382 71.001 42.927 1.00 0.00 C ATOM 1599 C6 G C 75 44.668 69.785 42.766 1.00 0.00 C ATOM 1600 O6 G C 75 43.530 69.610 42.317 1.00 0.00 O ATOM 1601 N1 G C 75 45.414 68.692 43.195 1.00 0.00 N ATOM 1602 C2 G C 75 46.682 68.761 43.716 1.00 0.00 C ATOM 1603 N2 G C 75 47.239 67.599 44.077 1.00 0.00 N ATOM 1604 N3 G C 75 47.359 69.885 43.872 1.00 0.00 N ATOM 1605 C4 G C 75 46.654 70.960 43.459 1.00 0.00 C ATOM 1606 P G C 76 51.020 68.441 40.562 1.00 0.00 P ATOM 1607 O1P G C 76 52.047 67.652 41.286 1.00 0.00 O ATOM 1608 O2P G C 76 51.249 68.795 39.137 1.00 0.00 O ATOM 1609 O5* G C 76 49.619 67.686 40.707 1.00 0.00 O ATOM 1610 C5* G C 76 49.392 66.731 41.746 1.00 0.00 C ATOM 1611 C4* G C 76 47.994 66.887 42.310 1.00 0.00 C ATOM 1612 O4* G C 76 47.450 68.170 41.900 1.00 0.00 O ATOM 1613 C3* G C 76 46.962 65.878 41.822 1.00 0.00 C ATOM 1614 O3* G C 76 47.024 64.663 42.566 1.00 0.00 O ATOM 1615 C2* G C 76 45.646 66.620 42.039 1.00 0.00 C ATOM 1616 O2* G C 76 45.244 66.563 43.396 1.00 0.00 O ATOM 1617 C1* G C 76 46.049 68.059 41.712 1.00 0.00 C ATOM 1618 N9 G C 76 45.733 68.468 40.346 1.00 0.00 N ATOM 1619 C8 G C 76 46.594 69.012 39.423 1.00 0.00 C ATOM 1620 N7 G C 76 46.021 69.280 38.281 1.00 0.00 N ATOM 1621 C5 G C 76 44.701 68.889 38.458 1.00 0.00 C ATOM 1622 C6 G C 76 43.600 68.933 37.564 1.00 0.00 C ATOM 1623 O6 G C 76 43.565 69.351 36.400 1.00 0.00 O ATOM 1624 N1 G C 76 42.445 68.428 38.153 1.00 0.00 N ATOM 1625 C2 G C 76 42.357 67.946 39.434 1.00 0.00 C ATOM 1626 N2 G C 76 41.155 67.501 39.818 1.00 0.00 N ATOM 1627 N3 G C 76 43.373 67.902 40.279 1.00 0.00 N ATOM 1628 C4 G C 76 44.506 68.383 39.728 1.00 0.00 C ATOM 1629 P U C 77 46.462 63.299 41.926 1.00 0.00 P ATOM 1630 O1P U C 77 46.559 62.229 42.948 1.00 0.00 O ATOM 1631 O2P U C 77 47.149 63.122 40.620 1.00 0.00 O ATOM 1632 O5* U C 77 44.914 63.605 41.680 1.00 0.00 O ATOM 1633 C5* U C 77 43.925 63.242 42.644 1.00 0.00 C ATOM 1634 C4* U C 77 42.548 63.275 42.019 1.00 0.00 C ATOM 1635 O4* U C 77 42.373 64.545 41.335 1.00 0.00 O ATOM 1636 C3* U C 77 42.284 62.225 40.943 1.00 0.00 C ATOM 1637 O3* U C 77 41.834 60.996 41.507 1.00 0.00 O ATOM 1638 C2* U C 77 41.211 62.884 40.087 1.00 0.00 C ATOM 1639 O2* U C 77 39.932 62.758 40.685 1.00 0.00 O ATOM 1640 C1* U C 77 41.632 64.353 40.142 1.00 0.00 C ATOM 1641 N1 U C 77 42.461 64.777 39.003 1.00 0.00 N ATOM 1642 C2 U C 77 41.822 65.041 37.802 1.00 0.00 C ATOM 1643 O2 U C 77 40.617 64.931 37.651 1.00 0.00 O ATOM 1644 N3 U C 77 42.648 65.439 36.783 1.00 0.00 N ATOM 1645 C4 U C 77 44.013 65.597 36.832 1.00 0.00 C ATOM 1646 O4 U C 77 44.617 65.963 35.822 1.00 0.00 O ATOM 1647 C5 U C 77 44.600 65.306 38.101 1.00 0.00 C ATOM 1648 C6 U C 77 43.831 64.912 39.121 1.00 0.00 C ATOM 1649 P A C 78 42.154 59.608 40.759 1.00 0.00 P ATOM 1650 O1P A C 78 41.526 58.503 41.529 1.00 0.00 O ATOM 1651 O2P A C 78 43.623 59.588 40.526 1.00 0.00 O ATOM 1652 O5* A C 78 41.390 59.741 39.363 1.00 0.00 O ATOM 1653 C5* A C 78 40.079 59.203 39.185 1.00 0.00 C ATOM 1654 C4* A C 78 39.373 59.900 38.039 1.00 0.00 C ATOM 1655 O4* A C 78 39.976 61.196 37.794 1.00 0.00 O ATOM 1656 C3* A C 78 39.468 59.215 36.683 1.00 0.00 C ATOM 1657 O3* A C 78 38.545 58.136 36.566 1.00 0.00 O ATOM 1658 C2* A C 78 39.149 60.356 35.719 1.00 0.00 C ATOM 1659 O2* A C 78 37.751 60.569 35.633 1.00 0.00 O ATOM 1660 C1* A C 78 39.784 61.552 36.434 1.00 0.00 C ATOM 1661 N9 A C 78 41.076 61.950 35.871 1.00 0.00 N ATOM 1662 C8 A C 78 42.290 62.042 36.507 1.00 0.00 C ATOM 1663 N7 A C 78 43.269 62.429 35.724 1.00 0.00 N ATOM 1664 C5 A C 78 42.660 62.603 34.489 1.00 0.00 C ATOM 1665 C6 A C 78 43.156 63.003 33.236 1.00 0.00 C ATOM 1666 N6 A C 78 44.431 63.321 33.010 1.00 0.00 N ATOM 1667 N1 A C 78 42.284 63.068 32.206 1.00 0.00 N ATOM 1668 C2 A C 78 41.002 62.758 32.432 1.00 0.00 C ATOM 1669 N3 A C 78 40.416 62.372 33.563 1.00 0.00 N ATOM 1670 C4 A C 78 41.310 62.312 34.564 1.00 0.00 C ATOM 1671 P G C 79 38.953 56.819 35.737 1.00 0.00 P ATOM 1672 O1P G C 79 37.725 56.041 35.449 1.00 0.00 O ATOM 1673 O2P G C 79 40.063 56.176 36.491 1.00 0.00 O ATOM 1674 O5* G C 79 39.507 57.396 34.356 1.00 0.00 O ATOM 1675 C5* G C 79 38.619 57.793 33.312 1.00 0.00 C ATOM 1676 C4* G C 79 39.402 58.264 32.107 1.00 0.00 C ATOM 1677 O4* G C 79 40.143 59.464 32.453 1.00 0.00 O ATOM 1678 C3* G C 79 40.474 57.308 31.602 1.00 0.00 C ATOM 1679 O3* G C 79 39.918 56.302 30.755 1.00 0.00 O ATOM 1680 C2* G C 79 41.426 58.240 30.861 1.00 0.00 C ATOM 1681 O2* G C 79 40.928 58.569 29.577 1.00 0.00 O ATOM 1682 C1* G C 79 41.371 59.489 31.743 1.00 0.00 C ATOM 1683 N9 G C 79 42.461 59.577 32.713 1.00 0.00 N ATOM 1684 C8 G C 79 42.375 59.407 34.072 1.00 0.00 C ATOM 1685 N7 G C 79 43.517 59.565 34.685 1.00 0.00 N ATOM 1686 C5 G C 79 44.416 59.851 33.666 1.00 0.00 C ATOM 1687 C6 G C 79 45.810 60.117 33.715 1.00 0.00 C ATOM 1688 O6 G C 79 46.555 60.155 34.701 1.00 0.00 O ATOM 1689 N1 G C 79 46.330 60.355 32.447 1.00 0.00 N ATOM 1690 C2 G C 79 45.604 60.338 31.282 1.00 0.00 C ATOM 1691 N2 G C 79 46.281 60.592 30.156 1.00 0.00 N ATOM 1692 N3 G C 79 44.307 60.088 31.221 1.00 0.00 N ATOM 1693 C4 G C 79 43.779 59.859 32.441 1.00 0.00 C ATOM 1694 P U C 80 40.362 54.766 30.935 1.00 0.00 P ATOM 1695 O1P U C 80 39.359 53.904 30.262 1.00 0.00 O ATOM 1696 O2P U C 80 40.647 54.560 32.381 1.00 0.00 O ATOM 1697 O5* U C 80 41.721 54.673 30.105 1.00 0.00 O ATOM 1698 C5* U C 80 41.715 54.626 28.680 1.00 0.00 C ATOM 1699 C4* U C 80 43.021 55.156 28.132 1.00 0.00 C ATOM 1700 O4* U C 80 43.351 56.392 28.824 1.00 0.00 O ATOM 1701 C3* U C 80 44.237 54.261 28.343 1.00 0.00 C ATOM 1702 O3* U C 80 44.372 53.298 27.299 1.00 0.00 O ATOM 1703 C2* U C 80 45.385 55.265 28.360 1.00 0.00 C ATOM 1704 O2* U C 80 45.726 55.693 27.054 1.00 0.00 O ATOM 1705 C1* U C 80 44.742 56.435 29.097 1.00 0.00 C ATOM 1706 N1 U C 80 44.935 56.397 30.554 1.00 0.00 N ATOM 1707 C2 U C 80 46.187 56.720 31.050 1.00 0.00 C ATOM 1708 O2 U C 80 47.127 57.038 30.339 1.00 0.00 O ATOM 1709 N3 U C 80 46.302 56.659 32.413 1.00 0.00 N ATOM 1710 C4 U C 80 45.317 56.334 33.318 1.00 0.00 C ATOM 1711 O4 U C 80 45.573 56.344 34.522 1.00 0.00 O ATOM 1712 C5 U C 80 44.054 56.016 32.731 1.00 0.00 C ATOM 1713 C6 U C 80 43.907 56.051 31.405 1.00 0.00 C ATOM 1714 P G C 81 45.339 52.026 27.499 1.00 0.00 P ATOM 1715 O1P G C 81 45.220 51.151 26.309 1.00 0.00 O ATOM 1716 O2P G C 81 45.043 51.468 28.845 1.00 0.00 O ATOM 1717 O5* G C 81 46.805 52.658 27.492 1.00 0.00 O ATOM 1718 C5* G C 81 47.363 53.204 26.296 1.00 0.00 C ATOM 1719 C4* G C 81 48.623 53.979 26.609 1.00 0.00 C ATOM 1720 O4* G C 81 48.433 54.759 27.820 1.00 0.00 O ATOM 1721 C3* G C 81 49.856 53.145 26.919 1.00 0.00 C ATOM 1722 O3* G C 81 50.479 52.686 25.722 1.00 0.00 O ATOM 1723 C2* G C 81 50.730 54.126 27.700 1.00 0.00 C ATOM 1724 O2* G C 81 51.418 55.002 26.825 1.00 0.00 O ATOM 1725 C1* G C 81 49.682 54.934 28.466 1.00 0.00 C ATOM 1726 N9 G C 81 49.528 54.572 29.871 1.00 0.00 N ATOM 1727 C8 G C 81 48.421 54.034 30.481 1.00 0.00 C ATOM 1728 N7 G C 81 48.560 53.897 31.769 1.00 0.00 N ATOM 1729 C5 G C 81 49.848 54.353 32.025 1.00 0.00 C ATOM 1730 C6 G C 81 50.561 54.453 33.245 1.00 0.00 C ATOM 1731 O6 G C 81 50.181 54.152 34.379 1.00 0.00 O ATOM 1732 N1 G C 81 51.842 54.973 33.051 1.00 0.00 N ATOM 1733 C2 G C 81 52.368 55.326 31.833 1.00 0.00 C ATOM 1734 N2 G C 81 53.624 55.770 31.842 1.00 0.00 N ATOM 1735 N3 G C 81 51.709 55.245 30.692 1.00 0.00 N ATOM 1736 C4 G C 81 50.463 54.754 30.860 1.00 0.00 C ATOM 1737 P U C 82 51.232 51.266 25.701 1.00 0.00 P ATOM 1738 O1P U C 82 51.619 50.957 24.304 1.00 0.00 O ATOM 1739 O2P U C 82 50.373 50.308 26.448 1.00 0.00 O ATOM 1740 O5* U C 82 52.570 51.540 26.525 1.00 0.00 O ATOM 1741 C5* U C 82 53.571 52.433 26.034 1.00 0.00 C ATOM 1742 C4* U C 82 54.469 52.882 27.164 1.00 0.00 C ATOM 1743 O4* U C 82 53.645 53.399 28.240 1.00 0.00 O ATOM 1744 C3* U C 82 55.296 51.785 27.816 1.00 0.00 C ATOM 1745 O3* U C 82 56.512 51.564 27.101 1.00 0.00 O ATOM 1746 C2* U C 82 55.532 52.315 29.229 1.00 0.00 C ATOM 1747 O2* U C 82 56.650 53.183 29.287 1.00 0.00 O ATOM 1748 C1* U C 82 54.264 53.128 29.483 1.00 0.00 C ATOM 1749 N1 U C 82 53.306 52.417 30.341 1.00 0.00 N ATOM 1750 C2 U C 82 53.583 52.304 31.697 1.00 0.00 C ATOM 1751 O2 U C 82 54.595 52.747 32.212 1.00 0.00 O ATOM 1752 N3 U C 82 52.622 51.651 32.428 1.00 0.00 N ATOM 1753 C4 U C 82 51.436 51.141 31.953 1.00 0.00 C ATOM 1754 O4 U C 82 50.654 50.599 32.734 1.00 0.00 O ATOM 1755 C5 U C 82 51.242 51.309 30.546 1.00 0.00 C ATOM 1756 C6 U C 82 52.166 51.893 29.808 1.00 0.00 C ATOM 1757 P G C 83 57.185 50.104 27.089 1.00 0.00 P ATOM 1758 O1P G C 83 58.250 50.088 26.058 1.00 0.00 O ATOM 1759 O2P G C 83 56.079 49.111 27.008 1.00 0.00 O ATOM 1760 O5* G C 83 57.892 50.005 28.517 1.00 0.00 O ATOM 1761 C5* G C 83 59.076 50.747 28.801 1.00 0.00 C ATOM 1762 C4* G C 83 59.233 50.941 30.294 1.00 0.00 C ATOM 1763 O4* G C 83 57.945 51.244 30.888 1.00 0.00 O ATOM 1764 C3* G C 83 59.691 49.724 31.083 1.00 0.00 C ATOM 1765 O3* G C 83 61.098 49.523 30.975 1.00 0.00 O ATOM 1766 C2* G C 83 59.259 50.079 32.501 1.00 0.00 C ATOM 1767 O2* G C 83 60.172 50.975 33.107 1.00 0.00 O ATOM 1768 C1* G C 83 57.944 50.819 32.241 1.00 0.00 C ATOM 1769 N9 G C 83 56.759 49.999 32.472 1.00 0.00 N ATOM 1770 C8 G C 83 55.854 49.553 31.540 1.00 0.00 C ATOM 1771 N7 G C 83 54.869 48.876 32.059 1.00 0.00 N ATOM 1772 C5 G C 83 55.150 48.853 33.420 1.00 0.00 C ATOM 1773 C6 G C 83 54.447 48.255 34.492 1.00 0.00 C ATOM 1774 O6 G C 83 53.400 47.602 34.454 1.00 0.00 O ATOM 1775 N1 G C 83 55.087 48.471 35.708 1.00 0.00 N ATOM 1776 C2 G C 83 56.258 49.167 35.868 1.00 0.00 C ATOM 1777 N2 G C 83 56.722 49.266 37.118 1.00 0.00 N ATOM 1778 N3 G C 83 56.928 49.722 34.876 1.00 0.00 N ATOM 1779 C4 G C 83 56.319 49.531 33.688 1.00 0.00 C ATOM 1780 P G C 84 61.695 48.028 30.962 1.00 0.00 P ATOM 1781 O1P G C 84 63.142 48.106 30.646 1.00 0.00 O ATOM 1782 O2P G C 84 60.804 47.212 30.094 1.00 0.00 O ATOM 1783 O5* G C 84 61.552 47.552 32.477 1.00 0.00 O ATOM 1784 C5* G C 84 62.419 48.058 33.493 1.00 0.00 C ATOM 1785 C4* G C 84 61.758 47.947 34.850 1.00 0.00 C ATOM 1786 O4* G C 84 60.358 48.312 34.735 1.00 0.00 O ATOM 1787 C3* G C 84 61.710 46.554 35.458 1.00 0.00 C ATOM 1788 O3* G C 84 62.943 46.210 36.088 1.00 0.00 O ATOM 1789 C2* G C 84 60.560 46.672 36.453 1.00 0.00 C ATOM 1790 O2* G C 84 60.973 47.299 37.653 1.00 0.00 O ATOM 1791 C1* G C 84 59.608 47.618 35.717 1.00 0.00 C ATOM 1792 N9 G C 84 58.498 46.934 35.059 1.00 0.00 N ATOM 1793 C8 G C 84 58.277 46.815 33.708 1.00 0.00 C ATOM 1794 N7 G C 84 57.187 46.162 33.420 1.00 0.00 N ATOM 1795 C5 G C 84 56.655 45.820 34.658 1.00 0.00 C ATOM 1796 C6 G C 84 55.481 45.098 34.985 1.00 0.00 C ATOM 1797 O6 G C 84 54.644 44.602 34.222 1.00 0.00 O ATOM 1798 N1 G C 84 55.323 44.973 36.360 1.00 0.00 N ATOM 1799 C2 G C 84 56.183 45.478 37.301 1.00 0.00 C ATOM 1800 N2 G C 84 55.856 45.253 38.577 1.00 0.00 N ATOM 1801 N3 G C 84 57.283 46.151 37.012 1.00 0.00 N ATOM 1802 C4 G C 84 57.457 46.285 35.679 1.00 0.00 C ATOM 1803 P G C 85 63.333 44.663 36.299 1.00 0.00 P ATOM 1804 O1P G C 85 64.684 44.600 36.912 1.00 0.00 O ATOM 1805 O2P G C 85 63.089 43.976 35.004 1.00 0.00 O ATOM 1806 O5* G C 85 62.285 44.148 37.388 1.00 0.00 O ATOM 1807 C5* G C 85 62.316 44.638 38.729 1.00 0.00 C ATOM 1808 C4* G C 85 61.007 44.338 39.428 1.00 0.00 C ATOM 1809 O4* G C 85 59.904 44.578 38.520 1.00 0.00 O ATOM 1810 C3* G C 85 60.797 42.897 39.865 1.00 0.00 C ATOM 1811 O3* G C 85 61.443 42.635 41.108 1.00 0.00 O ATOM 1812 C2* G C 85 59.275 42.790 39.975 1.00 0.00 C ATOM 1813 O2* G C 85 58.825 43.238 41.241 1.00 0.00 O ATOM 1814 C1* G C 85 58.799 43.784 38.913 1.00 0.00 C ATOM 1815 N9 G C 85 58.227 43.157 37.725 1.00 0.00 N ATOM 1816 C8 G C 85 58.637 43.303 36.421 1.00 0.00 C ATOM 1817 N7 G C 85 57.900 42.643 35.571 1.00 0.00 N ATOM 1818 C5 G C 85 56.949 42.011 36.361 1.00 0.00 C ATOM 1819 C6 G C 85 55.876 41.154 36.001 1.00 0.00 C ATOM 1820 O6 G C 85 55.540 40.772 34.874 1.00 0.00 O ATOM 1821 N1 G C 85 55.161 40.737 37.116 1.00 0.00 N ATOM 1822 C2 G C 85 55.442 41.091 38.411 1.00 0.00 C ATOM 1823 N2 G C 85 54.642 40.578 39.353 1.00 0.00 N ATOM 1824 N3 G C 85 56.435 41.888 38.762 1.00 0.00 N ATOM 1825 C4 G C 85 57.143 42.309 37.693 1.00 0.00 C ATOM 1826 P G C 86 61.983 41.156 41.432 1.00 0.00 P ATOM 1827 O1P G C 86 62.155 41.025 42.899 1.00 0.00 O ATOM 1828 O2P G C 86 63.150 40.931 40.537 1.00 0.00 O ATOM 1829 O5* G C 86 60.780 40.207 40.984 1.00 0.00 O ATOM 1830 C5* G C 86 59.691 39.924 41.865 1.00 0.00 C ATOM 1831 C4* G C 86 58.825 38.828 41.284 1.00 0.00 C ATOM 1832 O4* G C 86 58.064 39.358 40.171 1.00 0.00 O ATOM 1833 C3* G C 86 59.577 37.647 40.687 1.00 0.00 C ATOM 1834 O3* G C 86 59.940 36.707 41.693 1.00 0.00 O ATOM 1835 C2* G C 86 58.577 37.076 39.687 1.00 0.00 C ATOM 1836 O2* G C 86 57.650 36.219 40.326 1.00 0.00 O ATOM 1837 C1* G C 86 57.839 38.333 39.221 1.00 0.00 C ATOM 1838 N9 G C 86 58.275 38.812 37.913 1.00 0.00 N ATOM 1839 C8 G C 86 59.326 39.653 37.641 1.00 0.00 C ATOM 1840 N7 G C 86 59.474 39.898 36.369 1.00 0.00 N ATOM 1841 C5 G C 86 58.458 39.175 35.761 1.00 0.00 C ATOM 1842 C6 G C 86 58.110 39.046 34.390 1.00 0.00 C ATOM 1843 O6 G C 86 58.650 39.565 33.406 1.00 0.00 O ATOM 1844 N1 G C 86 57.008 38.216 34.218 1.00 0.00 N ATOM 1845 C2 G C 86 56.327 37.588 35.230 1.00 0.00 C ATOM 1846 N2 G C 86 55.292 36.826 34.861 1.00 0.00 N ATOM 1847 N3 G C 86 56.638 37.698 36.508 1.00 0.00 N ATOM 1848 C4 G C 86 57.706 38.501 36.700 1.00 0.00 C ATOM 1849 P U C 87 61.226 35.764 41.484 1.00 0.00 P ATOM 1850 O1P U C 87 61.525 35.093 42.771 1.00 0.00 O ATOM 1851 O2P U C 87 62.277 36.592 40.831 1.00 0.00 O ATOM 1852 O5* U C 87 60.709 34.647 40.470 1.00 0.00 O ATOM 1853 C5* U C 87 61.620 33.749 39.840 1.00 0.00 C ATOM 1854 C4* U C 87 60.913 32.467 39.467 1.00 0.00 C ATOM 1855 O4* U C 87 60.107 32.031 40.578 1.00 0.00 O ATOM 1856 C3* U C 87 59.913 32.565 38.321 1.00 0.00 C ATOM 1857 O3* U C 87 60.561 32.382 37.064 1.00 0.00 O ATOM 1858 C2* U C 87 58.896 31.450 38.612 1.00 0.00 C ATOM 1859 O2* U C 87 59.205 30.285 37.871 1.00 0.00 O ATOM 1860 C1* U C 87 59.129 31.144 40.098 1.00 0.00 C ATOM 1861 N1 U C 87 57.931 31.274 40.939 1.00 0.00 N ATOM 1862 C2 U C 87 57.565 30.183 41.713 1.00 0.00 C ATOM 1863 O2 U C 87 58.185 29.134 41.726 1.00 0.00 O ATOM 1864 N3 U C 87 56.440 30.368 42.474 1.00 0.00 N ATOM 1865 C4 U C 87 55.664 31.500 42.535 1.00 0.00 C ATOM 1866 O4 U C 87 54.677 31.516 43.269 1.00 0.00 O ATOM 1867 C5 U C 87 56.114 32.571 41.705 1.00 0.00 C ATOM 1868 C6 U C 87 57.200 32.431 40.958 1.00 0.00 C ATOM 1869 P C C 88 59.886 32.954 35.720 1.00 0.00 P ATOM 1870 O1P C C 88 60.775 32.640 34.576 1.00 0.00 O ATOM 1871 O2P C C 88 59.524 34.370 35.994 1.00 0.00 O ATOM 1872 O5* C C 88 58.557 32.085 35.570 1.00 0.00 O ATOM 1873 C5* C C 88 58.518 30.918 34.744 1.00 0.00 C ATOM 1874 C4* C C 88 57.122 30.716 34.190 1.00 0.00 C ATOM 1875 O4* C C 88 56.468 29.667 34.955 1.00 0.00 O ATOM 1876 C3* C C 88 56.197 31.926 34.282 1.00 0.00 C ATOM 1877 O3* C C 88 55.288 31.975 33.186 1.00 0.00 O ATOM 1878 C2* C C 88 55.485 31.724 35.616 1.00 0.00 C ATOM 1879 O2* C C 88 54.181 32.271 35.591 1.00 0.00 O ATOM 1880 C1* C C 88 55.376 30.201 35.675 1.00 0.00 C ATOM 1881 N1 C C 88 55.418 29.662 37.040 1.00 0.00 N ATOM 1882 C2 C C 88 54.241 29.613 37.799 1.00 0.00 C ATOM 1883 O2 C C 88 53.183 30.025 37.302 1.00 0.00 O ATOM 1884 N3 C C 88 54.289 29.115 39.055 1.00 0.00 N ATOM 1885 C4 C C 88 55.446 28.679 39.552 1.00 0.00 C ATOM 1886 N4 C C 88 55.448 28.193 40.793 1.00 0.00 N ATOM 1887 C5 C C 88 56.654 28.718 38.798 1.00 0.00 C ATOM 1888 C6 C C 88 56.594 29.212 37.562 1.00 0.00 C ATOM 1889 P U C 89 55.770 32.563 31.769 1.00 0.00 P ATOM 1890 O1P U C 89 56.739 31.624 31.154 1.00 0.00 O ATOM 1891 O2P U C 89 56.172 33.975 32.007 1.00 0.00 O ATOM 1892 O5* U C 89 54.445 32.532 30.878 1.00 0.00 O ATOM 1893 C5* U C 89 53.394 31.614 31.162 1.00 0.00 C ATOM 1894 C4* U C 89 52.663 31.247 29.891 1.00 0.00 C ATOM 1895 O4* U C 89 52.930 29.863 29.601 1.00 0.00 O ATOM 1896 C3* U C 89 51.139 31.323 29.950 1.00 0.00 C ATOM 1897 O3* U C 89 50.633 32.632 29.692 1.00 0.00 O ATOM 1898 C2* U C 89 50.699 30.332 28.874 1.00 0.00 C ATOM 1899 O2* U C 89 50.658 30.951 27.603 1.00 0.00 O ATOM 1900 C1* U C 89 51.846 29.319 28.883 1.00 0.00 C ATOM 1901 N1 U C 89 51.481 28.050 29.527 1.00 0.00 N ATOM 1902 C2 U C 89 51.464 26.895 28.765 1.00 0.00 C ATOM 1903 O2 U C 89 51.737 26.877 27.575 1.00 0.00 O ATOM 1904 N3 U C 89 51.118 25.758 29.449 1.00 0.00 N ATOM 1905 C4 U C 89 50.793 25.661 30.785 1.00 0.00 C ATOM 1906 O4 U C 89 50.511 24.560 31.258 1.00 0.00 O ATOM 1907 C5 U C 89 50.832 26.898 31.500 1.00 0.00 C ATOM 1908 C6 U C 89 51.162 28.027 30.865 1.00 0.00 C ATOM 1909 P C C 90 49.050 32.923 29.823 1.00 0.00 P ATOM 1910 O1P C C 90 48.272 31.691 29.537 1.00 0.00 O ATOM 1911 O2P C C 90 48.804 34.142 29.009 1.00 0.00 O ATOM 1912 O5* C C 90 48.853 33.282 31.367 1.00 0.00 O ATOM 1913 C5* C C 90 48.457 32.294 32.326 1.00 0.00 C ATOM 1914 C4* C C 90 48.772 32.776 33.729 1.00 0.00 C ATOM 1915 O4* C C 90 50.177 32.504 34.004 1.00 0.00 O ATOM 1916 C3* C C 90 48.589 34.274 33.957 1.00 0.00 C ATOM 1917 O3* C C 90 47.294 34.578 34.478 1.00 0.00 O ATOM 1918 C2* C C 90 49.698 34.620 34.945 1.00 0.00 C ATOM 1919 O2* C C 90 49.335 34.306 36.277 1.00 0.00 O ATOM 1920 C1* C C 90 50.805 33.671 34.505 1.00 0.00 C ATOM 1921 N1 C C 90 51.671 34.222 33.457 1.00 0.00 N ATOM 1922 C2 C C 90 52.909 34.781 33.805 1.00 0.00 C ATOM 1923 O2 C C 90 53.241 34.822 34.999 1.00 0.00 O ATOM 1924 N3 C C 90 53.707 35.262 32.825 1.00 0.00 N ATOM 1925 C4 C C 90 53.313 35.190 31.552 1.00 0.00 C ATOM 1926 N4 C C 90 54.138 35.663 30.619 1.00 0.00 N ATOM 1927 C5 C C 90 52.055 34.626 31.185 1.00 0.00 C ATOM 1928 C6 C C 90 51.276 34.180 32.157 1.00 0.00 C ATOM 1929 P C C 91 46.784 36.102 34.520 1.00 0.00 P ATOM 1930 O1P C C 91 45.347 36.112 34.888 1.00 0.00 O ATOM 1931 O2P C C 91 47.210 36.730 33.239 1.00 0.00 O ATOM 1932 O5* C C 91 47.606 36.746 35.728 1.00 0.00 O ATOM 1933 C5* C C 91 47.167 36.604 37.079 1.00 0.00 C ATOM 1934 C4* C C 91 48.212 37.140 38.032 1.00 0.00 C ATOM 1935 O4* C C 91 49.534 36.741 37.580 1.00 0.00 O ATOM 1936 C3* C C 91 48.322 38.654 38.127 1.00 0.00 C ATOM 1937 O3* C C 91 47.318 39.211 38.972 1.00 0.00 O ATOM 1938 C2* C C 91 49.728 38.839 38.688 1.00 0.00 C ATOM 1939 O2* C C 91 49.772 38.597 40.083 1.00 0.00 O ATOM 1940 C1* C C 91 50.482 37.719 37.974 1.00 0.00 C ATOM 1941 N1 C C 91 51.213 38.178 36.783 1.00 0.00 N ATOM 1942 C2 C C 91 52.411 38.883 36.952 1.00 0.00 C ATOM 1943 O2 C C 91 52.818 39.117 38.101 1.00 0.00 O ATOM 1944 N3 C C 91 53.096 39.292 35.861 1.00 0.00 N ATOM 1945 C4 C C 91 52.634 39.009 34.645 1.00 0.00 C ATOM 1946 N4 C C 91 53.349 39.420 33.596 1.00 0.00 N ATOM 1947 C5 C C 91 51.419 38.291 34.447 1.00 0.00 C ATOM 1948 C6 C C 91 50.740 37.915 35.532 1.00 0.00 C ATOM 1949 P C C 92 46.940 40.771 38.849 1.00 0.00 P ATOM 1950 O1P C C 92 45.721 41.027 39.650 1.00 0.00 O ATOM 1951 O2P C C 92 46.941 41.105 37.398 1.00 0.00 O ATOM 1952 O5* C C 92 48.157 41.512 39.566 1.00 0.00 O ATOM 1953 C5* C C 92 48.294 41.497 40.987 1.00 0.00 C ATOM 1954 C4* C C 92 49.692 41.921 41.383 1.00 0.00 C ATOM 1955 O4* C C 92 50.657 41.314 40.480 1.00 0.00 O ATOM 1956 C3* C C 92 49.990 43.409 41.275 1.00 0.00 C ATOM 1957 O3* C C 92 49.509 44.137 42.401 1.00 0.00 O ATOM 1958 C2* C C 92 51.511 43.416 41.175 1.00 0.00 C ATOM 1959 O2* C C 92 52.122 43.168 42.428 1.00 0.00 O ATOM 1960 C1* C C 92 51.745 42.203 40.279 1.00 0.00 C ATOM 1961 N1 C C 92 51.820 42.540 38.844 1.00 0.00 N ATOM 1962 C2 C C 92 52.961 43.195 38.360 1.00 0.00 C ATOM 1963 O2 C C 92 53.867 43.496 39.150 1.00 0.00 O ATOM 1964 N3 C C 92 53.045 43.486 37.043 1.00 0.00 N ATOM 1965 C4 C C 92 52.052 43.144 36.221 1.00 0.00 C ATOM 1966 N4 C C 92 52.183 43.442 34.929 1.00 0.00 N ATOM 1967 C5 C C 92 50.881 42.482 36.685 1.00 0.00 C ATOM 1968 C6 C C 92 50.801 42.213 37.994 1.00 0.00 C ATOM 1969 P C C 93 49.064 45.674 42.231 1.00 0.00 P ATOM 1970 O1P C C 93 48.266 46.070 43.413 1.00 0.00 O ATOM 1971 O2P C C 93 48.475 45.812 40.872 1.00 0.00 O ATOM 1972 O5* C C 93 50.445 46.471 42.294 1.00 0.00 O ATOM 1973 C5* C C 93 51.334 46.312 43.398 1.00 0.00 C ATOM 1974 C4* C C 93 52.747 46.648 42.979 1.00 0.00 C ATOM 1975 O4* C C 93 53.044 45.986 41.721 1.00 0.00 O ATOM 1976 C3* C C 93 53.007 48.119 42.699 1.00 0.00 C ATOM 1977 O3* C C 93 53.304 48.825 43.902 1.00 0.00 O ATOM 1978 C2* C C 93 54.192 48.073 41.739 1.00 0.00 C ATOM 1979 O2* C C 93 55.408 47.870 42.435 1.00 0.00 O ATOM 1980 C1* C C 93 53.878 46.813 40.929 1.00 0.00 C ATOM 1981 N1 C C 93 53.203 47.068 39.647 1.00 0.00 N ATOM 1982 C2 C C 93 53.911 47.697 38.625 1.00 0.00 C ATOM 1983 O2 C C 93 55.088 48.028 38.820 1.00 0.00 O ATOM 1984 N3 C C 93 53.296 47.927 37.445 1.00 0.00 N ATOM 1985 C4 C C 93 52.027 47.565 37.271 1.00 0.00 C ATOM 1986 N4 C C 93 51.458 47.848 36.097 1.00 0.00 N ATOM 1987 C5 C C 93 51.288 46.911 38.291 1.00 0.00 C ATOM 1988 C6 C C 93 51.906 46.688 39.452 1.00 0.00 C ATOM 1989 P A C 94 52.743 50.315 44.115 1.00 0.00 P ATOM 1990 O1P A C 94 53.029 50.730 45.510 1.00 0.00 O ATOM 1991 O2P A C 94 51.339 50.329 43.624 1.00 0.00 O ATOM 1992 O5* A C 94 53.658 51.199 43.153 1.00 0.00 O ATOM 1993 C5* A C 94 55.078 51.207 43.294 1.00 0.00 C ATOM 1994 C4* A C 94 55.733 51.600 41.989 1.00 0.00 C ATOM 1995 O4* A C 94 55.335 50.678 40.946 1.00 0.00 O ATOM 1996 C3* A C 94 55.328 52.951 41.424 1.00 0.00 C ATOM 1997 O3* A C 94 56.036 54.010 42.067 1.00 0.00 O ATOM 1998 C2* A C 94 55.683 52.815 39.945 1.00 0.00 C ATOM 1999 O2* A C 94 57.055 53.081 39.717 1.00 0.00 O ATOM 2000 C1* A C 94 55.431 51.326 39.692 1.00 0.00 C ATOM 2001 N9 A C 94 54.210 51.050 38.931 1.00 0.00 N ATOM 2002 C8 A C 94 53.021 50.521 39.374 1.00 0.00 C ATOM 2003 N7 A C 94 52.125 50.374 38.431 1.00 0.00 N ATOM 2004 C5 A C 94 52.760 50.843 37.290 1.00 0.00 C ATOM 2005 C6 A C 94 52.346 50.955 35.948 1.00 0.00 C ATOM 2006 N6 A C 94 51.140 50.585 35.511 1.00 0.00 N ATOM 2007 N1 A C 94 53.224 51.468 35.063 1.00 0.00 N ATOM 2008 C2 A C 94 54.433 51.846 35.501 1.00 0.00 C ATOM 2009 N3 A C 94 54.938 51.787 36.729 1.00 0.00 N ATOM 2010 C4 A C 94 54.042 51.269 37.586 1.00 0.00 C ATOM 2011 P U C 95 55.428 55.498 42.066 1.00 0.00 P ATOM 2012 O1P U C 95 56.257 56.350 42.951 1.00 0.00 O ATOM 2013 O2P U C 95 53.970 55.371 42.335 1.00 0.00 O ATOM 2014 O5* U C 95 55.651 55.993 40.566 1.00 0.00 O ATOM 2015 C5* U C 95 56.945 56.383 40.106 1.00 0.00 C ATOM 2016 C4* U C 95 56.959 56.472 38.595 1.00 0.00 C ATOM 2017 O4* U C 95 56.469 55.229 38.025 1.00 0.00 O ATOM 2018 C3* U C 95 56.044 57.520 37.979 1.00 0.00 C ATOM 2019 O3* U C 95 56.610 58.828 38.037 1.00 0.00 O ATOM 2020 C2* U C 95 55.889 57.004 36.553 1.00 0.00 C ATOM 2021 O2* U C 95 57.031 57.290 35.766 1.00 0.00 O ATOM 2022 C1* U C 95 55.828 55.495 36.787 1.00 0.00 C ATOM 2023 N1 U C 95 54.450 54.989 36.850 1.00 0.00 N ATOM 2024 C2 U C 95 53.829 54.624 35.676 1.00 0.00 C ATOM 2025 O2 U C 95 54.356 54.718 34.580 1.00 0.00 O ATOM 2026 N3 U C 95 52.555 54.141 35.828 1.00 0.00 N ATOM 2027 C4 U C 95 51.856 54.001 36.999 1.00 0.00 C ATOM 2028 O4 U C 95 50.719 53.528 36.975 1.00 0.00 O ATOM 2029 C5 U C 95 52.564 54.412 38.156 1.00 0.00 C ATOM 2030 C6 U C 95 53.803 54.883 38.045 1.00 0.00 C ATOM 2031 P G C 96 55.663 60.121 37.904 1.00 0.00 P ATOM 2032 O1P G C 96 56.433 61.316 38.323 1.00 0.00 O ATOM 2033 O2P G C 96 54.384 59.802 38.596 1.00 0.00 O ATOM 2034 O5* G C 96 55.407 60.239 36.333 1.00 0.00 O ATOM 2035 C5* G C 96 56.496 60.345 35.421 1.00 0.00 C ATOM 2036 C4* G C 96 56.091 59.833 34.058 1.00 0.00 C ATOM 2037 O4* G C 96 55.286 58.632 34.201 1.00 0.00 O ATOM 2038 C3* G C 96 55.198 60.753 33.242 1.00 0.00 C ATOM 2039 O3* G C 96 55.962 61.786 32.624 1.00 0.00 O ATOM 2040 C2* G C 96 54.570 59.783 32.248 1.00 0.00 C ATOM 2041 O2* G C 96 55.475 59.456 31.209 1.00 0.00 O ATOM 2042 C1* G C 96 54.369 58.546 33.125 1.00 0.00 C ATOM 2043 N9 G C 96 53.025 58.401 33.673 1.00 0.00 N ATOM 2044 C8 G C 96 52.660 58.393 34.998 1.00 0.00 C ATOM 2045 N7 G C 96 51.383 58.197 35.179 1.00 0.00 N ATOM 2046 C5 G C 96 50.870 58.079 33.894 1.00 0.00 C ATOM 2047 C6 G C 96 49.542 57.861 33.451 1.00 0.00 C ATOM 2048 O6 G C 96 48.518 57.724 34.128 1.00 0.00 O ATOM 2049 N1 G C 96 49.468 57.810 32.062 1.00 0.00 N ATOM 2050 C2 G C 96 50.531 57.961 31.210 1.00 0.00 C ATOM 2051 N2 G C 96 50.254 57.883 29.904 1.00 0.00 N ATOM 2052 N3 G C 96 51.771 58.171 31.609 1.00 0.00 N ATOM 2053 C4 G C 96 51.869 58.216 32.954 1.00 0.00 C ATOM 2054 P C C 97 55.447 63.308 32.684 1.00 0.00 P ATOM 2055 O1P C C 97 56.504 64.188 32.130 1.00 0.00 O ATOM 2056 O2P C C 97 54.953 63.545 34.066 1.00 0.00 O ATOM 2057 O5* C C 97 54.220 63.319 31.667 1.00 0.00 O ATOM 2058 C5* C C 97 54.432 63.277 30.261 1.00 0.00 C ATOM 2059 C4* C C 97 53.236 62.666 29.574 1.00 0.00 C ATOM 2060 O4* C C 97 52.858 61.449 30.269 1.00 0.00 O ATOM 2061 C3* C C 97 51.961 63.495 29.598 1.00 0.00 C ATOM 2062 O3* C C 97 51.958 64.498 28.588 1.00 0.00 O ATOM 2063 C2* C C 97 50.886 62.438 29.374 1.00 0.00 C ATOM 2064 O2* C C 97 50.810 62.065 28.010 1.00 0.00 O ATOM 2065 C1* C C 97 51.454 61.263 30.174 1.00 0.00 C ATOM 2066 N1 C C 97 50.899 61.155 31.535 1.00 0.00 N ATOM 2067 C2 C C 97 49.554 60.801 31.688 1.00 0.00 C ATOM 2068 O2 C C 97 48.861 60.605 30.679 1.00 0.00 O ATOM 2069 N3 C C 97 49.041 60.672 32.932 1.00 0.00 N ATOM 2070 C4 C C 97 49.820 60.866 33.996 1.00 0.00 C ATOM 2071 N4 C C 97 49.278 60.705 35.203 1.00 0.00 N ATOM 2072 C5 C C 97 51.191 61.229 33.871 1.00 0.00 C ATOM 2073 C6 C C 97 51.677 61.384 32.634 1.00 0.00 C ATOM 2074 P G C 98 51.487 65.992 28.948 1.00 0.00 P ATOM 2075 O1P G C 98 51.383 66.770 27.690 1.00 0.00 O ATOM 2076 O2P G C 98 52.387 66.473 30.031 1.00 0.00 O ATOM 2077 O5* G C 98 50.013 65.794 29.523 1.00 0.00 O ATOM 2078 C5* G C 98 48.953 65.328 28.689 1.00 0.00 C ATOM 2079 C4* G C 98 47.734 65.016 29.526 1.00 0.00 C ATOM 2080 O4* G C 98 47.969 63.803 30.300 1.00 0.00 O ATOM 2081 C3* G C 98 47.385 66.045 30.587 1.00 0.00 C ATOM 2082 O3* G C 98 46.699 67.173 30.055 1.00 0.00 O ATOM 2083 C2* G C 98 46.537 65.221 31.544 1.00 0.00 C ATOM 2084 O2* G C 98 45.257 64.942 31.008 1.00 0.00 O ATOM 2085 C1* G C 98 47.342 63.925 31.571 1.00 0.00 C ATOM 2086 N9 G C 98 48.372 63.921 32.606 1.00 0.00 N ATOM 2087 C8 G C 98 49.707 64.204 32.451 1.00 0.00 C ATOM 2088 N7 G C 98 50.381 64.136 33.565 1.00 0.00 N ATOM 2089 C5 G C 98 49.434 63.783 34.517 1.00 0.00 C ATOM 2090 C6 G C 98 49.569 63.560 35.914 1.00 0.00 C ATOM 2091 O6 G C 98 50.587 63.630 36.612 1.00 0.00 O ATOM 2092 N1 G C 98 48.353 63.222 36.499 1.00 0.00 N ATOM 2093 C2 G C 98 47.163 63.107 35.828 1.00 0.00 C ATOM 2094 N2 G C 98 46.105 62.762 36.566 1.00 0.00 N ATOM 2095 N3 G C 98 47.021 63.311 34.529 1.00 0.00 N ATOM 2096 C4 G C 98 48.188 63.643 33.940 1.00 0.00 C ATOM 2097 P A C 99 46.779 68.583 30.820 1.00 0.00 P ATOM 2098 O1P A C 99 46.436 69.664 29.863 1.00 0.00 O ATOM 2099 O2P A C 99 48.094 68.623 31.518 1.00 0.00 O ATOM 2100 O5* A C 99 45.611 68.477 31.903 1.00 0.00 O ATOM 2101 C5* A C 99 44.315 69.030 31.663 1.00 0.00 C ATOM 2102 C4* A C 99 43.710 68.450 30.400 1.00 0.00 C ATOM 2103 O4* A C 99 43.688 67.003 30.529 1.00 0.00 O ATOM 2104 C3* A C 99 42.269 68.876 30.129 1.00 0.00 C ATOM 2105 O3* A C 99 42.221 69.932 29.173 1.00 0.00 O ATOM 2106 C2* A C 99 41.604 67.606 29.604 1.00 0.00 C ATOM 2107 O2* A C 99 41.838 67.435 28.219 1.00 0.00 O ATOM 2108 C1* A C 99 42.373 66.524 30.356 1.00 0.00 C ATOM 2109 N9 A C 99 41.841 66.191 31.678 1.00 0.00 N ATOM 2110 C8 A C 99 42.549 66.124 32.853 1.00 0.00 C ATOM 2111 N7 A C 99 41.823 65.785 33.887 1.00 0.00 N ATOM 2112 C5 A C 99 40.550 65.619 33.366 1.00 0.00 C ATOM 2113 C6 A C 99 39.330 65.258 33.955 1.00 0.00 C ATOM 2114 N6 A C 99 39.189 64.979 35.254 1.00 0.00 N ATOM 2115 N1 A C 99 38.244 65.184 33.158 1.00 0.00 N ATOM 2116 C2 A C 99 38.387 65.457 31.853 1.00 0.00 C ATOM 2117 N3 A C 99 39.483 65.804 31.181 1.00 0.00 N ATOM 2118 C4 A C 99 40.543 65.869 32.005 1.00 0.00 C ATOM 2119 P G C 100 42.168 71.458 29.670 1.00 0.00 P ATOM 2120 O1P G C 100 41.903 72.315 28.488 1.00 0.00 O ATOM 2121 O2P G C 100 43.390 71.700 30.481 1.00 0.00 O ATOM 2122 O5* G C 100 40.878 71.498 30.612 1.00 0.00 O ATOM 2123 C5* G C 100 39.608 71.929 30.116 1.00 0.00 C ATOM 2124 C4* G C 100 38.542 70.896 30.420 1.00 0.00 C ATOM 2125 O4* G C 100 39.145 69.687 30.954 1.00 0.00 O ATOM 2126 C3* G C 100 37.542 71.273 31.503 1.00 0.00 C ATOM 2127 O3* G C 100 36.543 72.172 31.028 1.00 0.00 O ATOM 2128 C2* G C 100 36.969 69.917 31.892 1.00 0.00 C ATOM 2129 O2* G C 100 36.014 69.473 30.943 1.00 0.00 O ATOM 2130 C1* G C 100 38.210 69.027 31.795 1.00 0.00 C ATOM 2131 N9 G C 100 38.841 68.775 33.088 1.00 0.00 N ATOM 2132 C8 G C 100 40.151 69.001 33.434 1.00 0.00 C ATOM 2133 N7 G C 100 40.416 68.693 34.674 1.00 0.00 N ATOM 2134 C5 G C 100 39.209 68.228 35.177 1.00 0.00 C ATOM 2135 C6 G C 100 38.876 67.746 36.470 1.00 0.00 C ATOM 2136 O6 G C 100 39.603 67.630 37.462 1.00 0.00 O ATOM 2137 N1 G C 100 37.540 67.373 36.547 1.00 0.00 N ATOM 2138 C2 G C 100 36.639 67.453 35.518 1.00 0.00 C ATOM 2139 N2 G C 100 35.395 67.046 35.792 1.00 0.00 N ATOM 2140 N3 G C 100 36.933 67.900 34.310 1.00 0.00 N ATOM 2141 C4 G C 100 38.228 68.269 34.211 1.00 0.00 C ATOM 2142 P A C 101 36.145 73.461 31.905 1.00 0.00 P ATOM 2143 O1P A C 101 35.060 74.192 31.204 1.00 0.00 O ATOM 2144 O2P A C 101 37.415 74.170 32.221 1.00 0.00 O ATOM 2145 O5* A C 101 35.534 72.836 33.240 1.00 0.00 O ATOM 2146 C5* A C 101 34.212 72.295 33.267 1.00 0.00 C ATOM 2147 C4* A C 101 33.914 71.706 34.629 1.00 0.00 C ATOM 2148 O4* A C 101 34.822 70.593 34.867 1.00 0.00 O ATOM 2149 C3* A C 101 34.125 72.647 35.811 1.00 0.00 C ATOM 2150 O3* A C 101 32.949 73.396 36.109 1.00 0.00 O ATOM 2151 C2* A C 101 34.501 71.691 36.936 1.00 0.00 C ATOM 2152 O2* A C 101 33.363 71.028 37.456 1.00 0.00 O ATOM 2153 C1* A C 101 35.355 70.679 36.177 1.00 0.00 C ATOM 2154 N9 A C 101 36.765 71.057 36.077 1.00 0.00 N ATOM 2155 C8 A C 101 37.415 71.586 34.990 1.00 0.00 C ATOM 2156 N7 A C 101 38.685 71.829 35.198 1.00 0.00 N ATOM 2157 C5 A C 101 38.887 71.437 36.515 1.00 0.00 C ATOM 2158 C6 A C 101 40.023 71.444 37.339 1.00 0.00 C ATOM 2159 N6 A C 101 41.221 71.878 36.944 1.00 0.00 N ATOM 2160 N1 A C 101 39.887 70.984 38.600 1.00 0.00 N ATOM 2161 C2 A C 101 38.686 70.550 38.998 1.00 0.00 C ATOM 2162 N3 A C 101 37.543 70.493 38.317 1.00 0.00 N ATOM 2163 C4 A C 101 37.713 70.957 37.067 1.00 0.00 C ATOM 2164 P G C 102 33.072 74.934 36.557 1.00 0.00 P ATOM 2165 O1P G C 102 31.707 75.450 36.829 1.00 0.00 O ATOM 2166 O2P G C 102 33.914 75.609 35.532 1.00 0.00 O ATOM 2167 O5* G C 102 33.867 74.860 37.942 1.00 0.00 O ATOM 2168 C5* G C 102 33.174 74.852 39.191 1.00 0.00 C ATOM 2169 C4* G C 102 33.930 74.028 40.212 1.00 0.00 C ATOM 2170 O4* G C 102 34.852 73.117 39.545 1.00 0.00 O ATOM 2171 C3* G C 102 34.840 74.806 41.152 1.00 0.00 C ATOM 2172 O3* G C 102 34.123 75.432 42.211 1.00 0.00 O ATOM 2173 C2* G C 102 35.776 73.711 41.645 1.00 0.00 C ATOM 2174 O2* G C 102 35.130 72.863 42.576 1.00 0.00 O ATOM 2175 C1* G C 102 36.012 72.941 40.347 1.00 0.00 C ATOM 2176 N9 G C 102 37.171 73.421 39.599 1.00 0.00 N ATOM 2177 C8 G C 102 37.183 73.911 38.318 1.00 0.00 C ATOM 2178 N7 G C 102 38.368 74.278 37.917 1.00 0.00 N ATOM 2179 C5 G C 102 39.194 74.014 39.000 1.00 0.00 C ATOM 2180 C6 G C 102 40.588 74.218 39.165 1.00 0.00 C ATOM 2181 O6 G C 102 41.403 74.673 38.355 1.00 0.00 O ATOM 2182 N1 G C 102 41.016 73.827 40.428 1.00 0.00 N ATOM 2183 C2 G C 102 40.211 73.297 41.404 1.00 0.00 C ATOM 2184 N2 G C 102 40.812 72.971 42.554 1.00 0.00 N ATOM 2185 N3 G C 102 38.910 73.098 41.265 1.00 0.00 N ATOM 2186 C4 G C 102 38.471 73.481 40.047 1.00 0.00 C ATOM 2187 P U C 103 34.716 76.759 42.897 1.00 0.00 P ATOM 2188 O1P U C 103 33.881 77.101 44.074 1.00 0.00 O ATOM 2189 O2P U C 103 34.879 77.761 41.808 1.00 0.00 O ATOM 2190 O5* U C 103 36.150 76.304 43.422 1.00 0.00 O ATOM 2191 C5* U C 103 36.290 75.548 44.625 1.00 0.00 C ATOM 2192 C4* U C 103 37.680 75.729 45.194 1.00 0.00 C ATOM 2193 O4* U C 103 38.631 74.994 44.373 1.00 0.00 O ATOM 2194 C3* U C 103 38.207 77.157 45.191 1.00 0.00 C ATOM 2195 O3* U C 103 37.765 77.896 46.327 1.00 0.00 O ATOM 2196 C2* U C 103 39.711 76.938 45.178 1.00 0.00 C ATOM 2197 O2* U C 103 40.186 76.530 46.448 1.00 0.00 O ATOM 2198 C1* U C 103 39.814 75.762 44.211 1.00 0.00 C ATOM 2199 N1 U C 103 39.919 76.179 42.804 1.00 0.00 N ATOM 2200 C2 U C 103 41.132 76.695 42.376 1.00 0.00 C ATOM 2201 O2 U C 103 42.109 76.794 43.098 1.00 0.00 O ATOM 2202 N3 U C 103 41.160 77.087 41.066 1.00 0.00 N ATOM 2203 C4 U C 103 40.132 77.019 40.153 1.00 0.00 C ATOM 2204 O4 U C 103 40.308 77.447 39.012 1.00 0.00 O ATOM 2205 C5 U C 103 38.921 76.466 40.662 1.00 0.00 C ATOM 2206 C6 U C 103 38.850 76.073 41.936 1.00 0.00 C ATOM 2207 P A C 104 37.361 79.446 46.164 1.00 0.00 P ATOM 2208 O1P A C 104 36.790 79.919 47.448 1.00 0.00 O ATOM 2209 O2P A C 104 36.544 79.547 44.922 1.00 0.00 O ATOM 2210 O5* A C 104 38.762 80.179 45.952 1.00 0.00 O ATOM 2211 C5* A C 104 39.824 80.024 46.894 1.00 0.00 C ATOM 2212 C4* A C 104 41.154 80.304 46.229 1.00 0.00 C ATOM 2213 O4* A C 104 41.301 79.445 45.071 1.00 0.00 O ATOM 2214 C3* A C 104 41.321 81.707 45.671 1.00 0.00 C ATOM 2215 O3* A C 104 41.742 82.619 46.682 1.00 0.00 O ATOM 2216 C2* A C 104 42.374 81.521 44.581 1.00 0.00 C ATOM 2217 O2* A C 104 43.678 81.519 45.128 1.00 0.00 O ATOM 2218 C1* A C 104 42.058 80.112 44.076 1.00 0.00 C ATOM 2219 N9 A C 104 41.297 80.080 42.825 1.00 0.00 N ATOM 2220 C8 A C 104 39.993 79.689 42.646 1.00 0.00 C ATOM 2221 N7 A C 104 39.593 79.743 41.400 1.00 0.00 N ATOM 2222 C5 A C 104 40.704 80.208 40.710 1.00 0.00 C ATOM 2223 C6 A C 104 40.928 80.480 39.348 1.00 0.00 C ATOM 2224 N6 A C 104 40.009 80.311 38.398 1.00 0.00 N ATOM 2225 N1 A C 104 42.148 80.936 38.994 1.00 0.00 N ATOM 2226 C2 A C 104 43.073 81.104 39.946 1.00 0.00 C ATOM 2227 N3 A C 104 42.984 80.880 41.255 1.00 0.00 N ATOM 2228 C4 A C 104 41.759 80.426 41.576 1.00 0.00 C ATOM 2229 P G C 105 40.939 83.992 46.905 1.00 0.00 P ATOM 2230 O1P G C 105 41.689 84.823 47.880 1.00 0.00 O ATOM 2231 O2P G C 105 39.532 83.615 47.200 1.00 0.00 O ATOM 2232 O5* G C 105 41.018 84.707 45.480 1.00 0.00 O ATOM 2233 C5* G C 105 42.196 85.399 45.069 1.00 0.00 C ATOM 2234 C4* G C 105 42.290 85.420 43.558 1.00 0.00 C ATOM 2235 O4* G C 105 41.953 84.108 43.035 1.00 0.00 O ATOM 2236 C3* G C 105 41.325 86.352 42.839 1.00 0.00 C ATOM 2237 O3* G C 105 41.802 87.695 42.820 1.00 0.00 O ATOM 2238 C2* G C 105 41.264 85.738 41.445 1.00 0.00 C ATOM 2239 O2* G C 105 42.405 86.082 40.679 1.00 0.00 O ATOM 2240 C1* G C 105 41.334 84.245 41.769 1.00 0.00 C ATOM 2241 N9 G C 105 40.022 83.606 41.820 1.00 0.00 N ATOM 2242 C8 G C 105 39.339 83.203 42.940 1.00 0.00 C ATOM 2243 N7 G C 105 38.185 82.655 42.671 1.00 0.00 N ATOM 2244 C5 G C 105 38.100 82.706 41.284 1.00 0.00 C ATOM 2245 C6 G C 105 37.072 82.271 40.410 1.00 0.00 C ATOM 2246 O6 G C 105 35.998 81.726 40.691 1.00 0.00 O ATOM 2247 N1 G C 105 37.392 82.523 39.081 1.00 0.00 N ATOM 2248 C2 G C 105 38.553 83.114 38.649 1.00 0.00 C ATOM 2249 N2 G C 105 38.680 83.261 37.327 1.00 0.00 N ATOM 2250 N3 G C 105 39.517 83.524 39.450 1.00 0.00 N ATOM 2251 C4 G C 105 39.225 83.293 40.746 1.00 0.00 C ATOM 2252 P G C 106 40.772 88.908 42.582 1.00 0.00 P ATOM 2253 O1P G C 106 41.541 90.175 42.541 1.00 0.00 O ATOM 2254 O2P G C 106 39.682 88.748 43.583 1.00 0.00 O ATOM 2255 O5* G C 106 40.198 88.637 41.118 1.00 0.00 O ATOM 2256 C5* G C 106 41.030 88.758 39.964 1.00 0.00 C ATOM 2257 C4* G C 106 40.185 88.957 38.727 1.00 0.00 C ATOM 2258 O4* G C 106 39.707 87.667 38.253 1.00 0.00 O ATOM 2259 C3* G C 106 38.916 89.771 38.928 1.00 0.00 C ATOM 2260 O3* G C 106 39.190 91.170 38.881 1.00 0.00 O ATOM 2261 C2* G C 106 38.038 89.289 37.781 1.00 0.00 C ATOM 2262 O2* G C 106 38.432 89.877 36.555 1.00 0.00 O ATOM 2263 C1* G C 106 38.388 87.801 37.746 1.00 0.00 C ATOM 2264 N9 G C 106 37.505 86.949 38.539 1.00 0.00 N ATOM 2265 C8 G C 106 37.690 86.536 39.837 1.00 0.00 C ATOM 2266 N7 G C 106 36.733 85.764 40.274 1.00 0.00 N ATOM 2267 C5 G C 106 35.860 85.658 39.199 1.00 0.00 C ATOM 2268 C6 G C 106 34.637 84.947 39.072 1.00 0.00 C ATOM 2269 O6 G C 106 34.062 84.244 39.912 1.00 0.00 O ATOM 2270 N1 G C 106 34.076 85.117 37.812 1.00 0.00 N ATOM 2271 C2 G C 106 34.620 85.867 36.800 1.00 0.00 C ATOM 2272 N2 G C 106 33.930 85.904 35.654 1.00 0.00 N ATOM 2273 N3 G C 106 35.758 86.534 36.903 1.00 0.00 N ATOM 2274 C4 G C 106 36.320 86.386 38.121 1.00 0.00 C ATOM 2275 P G C 107 38.407 92.661 38.142 1.00 0.00 P ATOM 2276 O1P G C 107 39.237 93.829 38.517 1.00 0.00 O ATOM 2277 O2P G C 107 36.964 92.778 38.435 1.00 0.00 O ATOM 2278 O5* G C 107 38.759 92.233 36.403 1.00 0.00 O ATOM 2279 C5* G C 107 39.969 92.322 35.632 1.00 0.00 C ATOM 2280 C4* G C 107 39.848 92.977 34.163 1.00 0.00 C ATOM 2281 O4* G C 107 39.236 92.335 33.007 1.00 0.00 O ATOM 2282 C3* G C 107 40.008 94.436 33.729 1.00 0.00 C ATOM 2283 O3* G C 107 41.001 95.162 34.638 1.00 0.00 O ATOM 2284 C2* G C 107 40.346 94.293 32.245 1.00 0.00 C ATOM 2285 O2* G C 107 41.691 93.885 32.072 1.00 0.00 O ATOM 2286 C1* G C 107 39.472 93.111 31.841 1.00 0.00 C ATOM 2287 N9 G C 107 37.945 93.545 31.159 1.00 0.00 N ATOM 2288 C8 G C 107 36.703 93.553 31.747 1.00 0.00 C ATOM 2289 N7 G C 107 35.721 93.842 30.926 1.00 0.00 N ATOM 2290 C5 G C 107 36.363 94.036 29.705 1.00 0.00 C ATOM 2291 C6 G C 107 35.828 94.374 28.434 1.00 0.00 C ATOM 2292 O6 G C 107 34.655 94.570 28.120 1.00 0.00 O ATOM 2293 N1 G C 107 36.836 94.476 27.463 1.00 0.00 N ATOM 2294 C2 G C 107 38.181 94.281 27.691 1.00 0.00 C ATOM 2295 N2 G C 107 38.982 94.423 26.632 1.00 0.00 N ATOM 2296 N3 G C 107 38.683 93.964 28.882 1.00 0.00 N ATOM 2297 C4 G C 107 37.721 93.861 29.835 1.00 0.00 C ATOM 2298 P A C 108 41.297 96.941 34.353 1.00 0.00 P ATOM 2299 O1P A C 108 42.631 97.155 33.744 1.00 0.00 O ATOM 2300 O2P A C 108 41.013 97.723 35.576 1.00 0.00 O ATOM 2301 O5* A C 108 39.969 97.113 33.119 1.00 0.00 O ATOM 2302 C5* A C 108 40.096 97.465 31.733 1.00 0.00 C ATOM 2303 C4* A C 108 40.385 99.042 31.464 1.00 0.00 C ATOM 2304 O4* A C 108 40.290 99.894 32.642 1.00 0.00 O ATOM 2305 C3* A C 108 41.566 99.620 30.683 1.00 0.00 C ATOM 2306 O3* A C 108 41.532 99.236 29.189 1.00 0.00 O ATOM 2307 C2* A C 108 41.415 101.119 30.942 1.00 0.00 C ATOM 2308 O2* A C 108 40.371 101.664 30.157 1.00 0.00 O ATOM 2309 C1* A C 108 40.936 101.133 32.390 1.00 0.00 C ATOM 2310 N9 A C 108 42.098 101.325 33.476 1.00 0.00 N ATOM 2311 C8 A C 108 42.690 100.375 34.275 1.00 0.00 C ATOM 2312 N7 A C 108 43.685 100.820 34.975 1.00 0.00 N ATOM 2313 C5 A C 108 43.772 102.160 34.623 1.00 0.00 C ATOM 2314 C6 A C 108 44.637 103.193 35.020 1.00 0.00 C ATOM 2315 N6 A C 108 45.625 103.025 35.909 1.00 0.00 N ATOM 2316 N1 A C 108 44.446 104.405 34.473 1.00 0.00 N ATOM 2317 C2 A C 108 43.459 104.567 33.588 1.00 0.00 C ATOM 2318 N3 A C 108 42.594 103.679 33.142 1.00 0.00 N ATOM 2319 C4 A C 108 42.806 102.471 33.708 1.00 0.00 C ATOM 2320 P A C 109 40.032 98.402 28.535 1.00 0.00 P ATOM 2321 O1P A C 109 38.795 99.213 28.589 1.00 0.00 O ATOM 2322 O2P A C 109 39.924 97.024 29.054 1.00 0.00 O ATOM 2323 O5* A C 109 40.715 98.496 26.854 1.00 0.00 O ATOM 2324 C5* A C 109 40.952 99.839 26.402 1.00 0.00 C ATOM 2325 C4* A C 109 42.556 100.279 26.444 1.00 0.00 C ATOM 2326 O4* A C 109 43.113 98.946 26.642 1.00 0.00 O ATOM 2327 C3* A C 109 43.174 100.743 25.127 1.00 0.00 C ATOM 2328 O3* A C 109 42.985 102.356 24.851 1.00 0.00 O ATOM 2329 C2* A C 109 44.575 100.142 25.199 1.00 0.00 C ATOM 2330 O2* A C 109 45.399 100.888 26.080 1.00 0.00 O ATOM 2331 C1* A C 109 44.300 98.803 25.874 1.00 0.00 C ATOM 2332 N9 A C 109 44.091 97.499 24.803 1.00 0.00 N ATOM 2333 C8 A C 109 43.165 97.364 23.793 1.00 0.00 C ATOM 2334 N7 A C 109 43.146 96.183 23.254 1.00 0.00 N ATOM 2335 C5 A C 109 44.122 95.481 23.950 1.00 0.00 C ATOM 2336 C6 A C 109 44.593 94.162 23.849 1.00 0.00 C ATOM 2337 N6 A C 109 44.118 93.272 22.966 1.00 0.00 N ATOM 2338 N1 A C 109 45.571 93.789 24.695 1.00 0.00 N ATOM 2339 C2 A C 109 46.041 94.680 25.568 1.00 0.00 C ATOM 2340 N3 A C 109 45.681 95.930 25.753 1.00 0.00 N ATOM 2341 C4 A C 109 44.699 96.280 24.895 1.00 0.00 C ATOM 2342 P C C 110 43.340 103.435 23.356 1.00 0.00 P ATOM 2343 O1P C C 110 44.260 104.574 23.584 1.00 0.00 O ATOM 2344 O2P C C 110 42.161 103.717 22.507 1.00 0.00 O ATOM 2345 O5* C C 110 44.155 102.195 22.756 1.00 0.00 O ATOM 2346 C5* C C 110 45.117 101.525 23.591 1.00 0.00 C ATOM 2347 C4* C C 110 45.673 100.314 22.867 1.00 0.00 C ATOM 2348 O4* C C 110 44.614 99.323 22.723 1.00 0.00 O ATOM 2349 C3* C C 110 46.151 100.553 21.436 1.00 0.00 C ATOM 2350 O3* C C 110 47.455 101.043 21.405 1.00 0.00 O ATOM 2351 C2* C C 110 46.027 99.161 20.819 1.00 0.00 C ATOM 2352 O2* C C 110 47.091 98.329 21.247 1.00 0.00 O ATOM 2353 C1* C C 110 44.759 98.640 21.488 1.00 0.00 C ATOM 2354 N1 C C 110 43.524 98.869 20.689 1.00 0.00 N ATOM 2355 C2 C C 110 43.318 98.071 19.567 1.00 0.00 C ATOM 2356 O2 C C 110 44.161 97.211 19.286 1.00 0.00 O ATOM 2357 N3 C C 110 42.200 98.265 18.826 1.00 0.00 N ATOM 2358 C4 C C 110 41.308 99.206 19.166 1.00 0.00 C ATOM 2359 N4 C C 110 40.232 99.353 18.409 1.00 0.00 N ATOM 2360 C5 C C 110 41.501 100.037 20.314 1.00 0.00 C ATOM 2361 C6 C C 110 42.628 99.827 21.042 1.00 0.00 C ATOM 2362 P U C 111 47.872 102.094 20.230 1.00 0.00 P ATOM 2363 O1P U C 111 49.144 102.769 20.573 1.00 0.00 O ATOM 2364 O2P U C 111 46.728 102.991 19.943 1.00 0.00 O ATOM 2365 O5* U C 111 48.101 101.098 18.998 1.00 0.00 O ATOM 2366 C5* U C 111 49.113 100.079 19.106 1.00 0.00 C ATOM 2367 C4* U C 111 49.072 99.178 17.889 1.00 0.00 C ATOM 2368 O4* U C 111 47.830 98.414 17.910 1.00 0.00 O ATOM 2369 C3* U C 111 49.044 99.888 16.534 1.00 0.00 C ATOM 2370 O3* U C 111 50.323 100.227 16.107 1.00 0.00 O ATOM 2371 C2* U C 111 48.382 98.843 15.639 1.00 0.00 C ATOM 2372 O2* U C 111 49.298 97.815 15.305 1.00 0.00 O ATOM 2373 C1* U C 111 47.353 98.230 16.584 1.00 0.00 C ATOM 2374 N1 U C 111 46.006 98.855 16.488 1.00 0.00 N ATOM 2375 C2 U C 111 45.250 98.544 15.383 1.00 0.00 C ATOM 2376 O2 U C 111 45.642 97.797 14.501 1.00 0.00 O ATOM 2377 N3 U C 111 44.008 99.140 15.328 1.00 0.00 N ATOM 2378 C4 U C 111 43.468 99.998 16.263 1.00 0.00 C ATOM 2379 O4 U C 111 42.339 100.471 16.107 1.00 0.00 O ATOM 2380 C5 U C 111 44.333 100.264 17.388 1.00 0.00 C ATOM 2381 C6 U C 111 45.547 99.696 17.466 1.00 0.00 C ATOM 2382 P G C 112 50.527 101.600 15.248 1.00 0.00 P ATOM 2383 O1P G C 112 51.957 101.974 15.208 1.00 0.00 O ATOM 2384 O2P G C 112 49.601 102.640 15.753 1.00 0.00 O ATOM 2385 O5* G C 112 50.056 101.117 13.794 1.00 0.00 O ATOM 2386 C5* G C 112 50.770 100.041 13.152 1.00 0.00 C ATOM 2387 C4* G C 112 50.080 99.664 11.857 1.00 0.00 C ATOM 2388 O4* G C 112 48.788 99.069 12.165 1.00 0.00 O ATOM 2389 C3* G C 112 49.735 100.827 10.926 1.00 0.00 C ATOM 2390 O3* G C 112 50.820 101.180 10.125 1.00 0.00 O ATOM 2391 C2* G C 112 48.571 100.255 10.119 1.00 0.00 C ATOM 2392 O2* G C 112 49.039 99.345 9.140 1.00 0.00 O ATOM 2393 C1* G C 112 47.840 99.434 11.176 1.00 0.00 C ATOM 2394 N9 G C 112 46.733 100.168 11.847 1.00 0.00 N ATOM 2395 C8 G C 112 46.687 100.701 13.116 1.00 0.00 C ATOM 2396 N7 G C 112 45.551 101.294 13.406 1.00 0.00 N ATOM 2397 C5 G C 112 44.796 101.147 12.245 1.00 0.00 C ATOM 2398 C6 G C 112 43.480 101.586 11.952 1.00 0.00 C ATOM 2399 O6 G C 112 42.696 102.205 12.665 1.00 0.00 O ATOM 2400 N1 G C 112 43.100 101.227 10.650 1.00 0.00 N ATOM 2401 C2 G C 112 43.889 100.532 9.751 1.00 0.00 C ATOM 2402 N2 G C 112 43.340 100.285 8.560 1.00 0.00 N ATOM 2403 N3 G C 112 45.123 100.120 10.031 1.00 0.00 N ATOM 2404 C4 G C 112 45.508 100.464 11.288 1.00 0.00 C ATOM 2405 P C C 113 51.016 102.750 9.719 1.00 0.00 P ATOM 2406 O1P C C 113 52.382 102.978 9.198 1.00 0.00 O ATOM 2407 O2P C C 113 50.608 103.609 10.853 1.00 0.00 O ATOM 2408 O5* C C 113 49.956 102.886 8.529 1.00 0.00 O ATOM 2409 C5* C C 113 50.113 102.066 7.355 1.00 0.00 C ATOM 2410 C4* C C 113 48.939 102.263 6.421 1.00 0.00 C ATOM 2411 O4* C C 113 47.740 101.718 7.045 1.00 0.00 O ATOM 2412 C3* C C 113 48.567 103.714 6.119 1.00 0.00 C ATOM 2413 O3* C C 113 49.341 104.238 5.086 1.00 0.00 O ATOM 2414 C2* C C 113 47.091 103.597 5.744 1.00 0.00 C ATOM 2415 O2* C C 113 46.944 103.077 4.432 1.00 0.00 O ATOM 2416 C1* C C 113 46.616 102.512 6.705 1.00 0.00 C ATOM 2417 N1 C C 113 46.032 103.044 7.968 1.00 0.00 N ATOM 2418 C2 C C 113 44.763 103.613 7.908 1.00 0.00 C ATOM 2419 O2 C C 113 44.178 103.651 6.818 1.00 0.00 O ATOM 2420 N3 C C 113 44.212 104.106 9.047 1.00 0.00 N ATOM 2421 C4 C C 113 44.878 104.046 10.206 1.00 0.00 C ATOM 2422 N4 C C 113 44.298 104.539 11.288 1.00 0.00 N ATOM 2423 C5 C C 113 46.183 103.466 10.292 1.00 0.00 C ATOM 2424 C6 C C 113 46.716 102.981 9.140 1.00 0.00 C ATOM 2425 P C C 114 49.741 105.824 5.128 1.00 0.00 P ATOM 2426 O1P C C 114 50.842 106.100 4.180 1.00 0.00 O ATOM 2427 O2P C C 114 49.981 106.231 6.531 1.00 0.00 O ATOM 2428 O5* C C 114 48.386 106.487 4.597 1.00 0.00 O ATOM 2429 C5* C C 114 47.916 106.152 3.277 1.00 0.00 C ATOM 2430 C4* C C 114 46.566 106.792 3.031 1.00 0.00 C ATOM 2431 O4* C C 114 45.579 106.167 3.903 1.00 0.00 O ATOM 2432 C3* C C 114 46.461 108.283 3.368 1.00 0.00 C ATOM 2433 O3* C C 114 46.913 109.077 2.320 1.00 0.00 O ATOM 2434 C2* C C 114 44.964 108.444 3.632 1.00 0.00 C ATOM 2435 O2* C C 114 44.241 108.467 2.412 1.00 0.00 O ATOM 2436 C1* C C 114 44.628 107.131 4.324 1.00 0.00 C ATOM 2437 N1 C C 114 44.680 107.210 5.812 1.00 0.00 N ATOM 2438 C2 C C 114 43.645 107.874 6.465 1.00 0.00 C ATOM 2439 O2 C C 114 42.737 108.367 5.789 1.00 0.00 O ATOM 2440 N3 C C 114 43.673 107.955 7.817 1.00 0.00 N ATOM 2441 C4 C C 114 44.677 107.406 8.515 1.00 0.00 C ATOM 2442 N4 C C 114 44.661 107.513 9.835 1.00 0.00 N ATOM 2443 C5 C C 114 45.751 106.716 7.861 1.00 0.00 C ATOM 2444 C6 C C 114 45.705 106.648 6.507 1.00 0.00 C ATOM 2445 P A C 115 47.662 110.485 2.668 1.00 0.00 P ATOM 2446 O1P A C 115 48.382 110.992 1.475 1.00 0.00 O ATOM 2447 O2P A C 115 48.479 110.317 3.891 1.00 0.00 O ATOM 2448 O5* A C 115 46.406 111.424 2.979 1.00 0.00 O ATOM 2449 C5* A C 115 45.427 111.648 1.950 1.00 0.00 C ATOM 2450 C4* A C 115 44.269 112.455 2.499 1.00 0.00 C ATOM 2451 O4* A C 115 43.544 111.645 3.466 1.00 0.00 O ATOM 2452 C3* A C 115 44.645 113.714 3.281 1.00 0.00 C ATOM 2453 O3* A C 115 44.865 114.798 2.433 1.00 0.00 O ATOM 2454 C2* A C 115 43.429 113.909 4.181 1.00 0.00 C ATOM 2455 O2* A C 115 42.342 114.448 3.450 1.00 0.00 O ATOM 2456 C1* A C 115 43.064 112.466 4.519 1.00 0.00 C ATOM 2457 N9 A C 115 43.664 111.980 5.795 1.00 0.00 N ATOM 2458 C8 A C 115 44.712 111.109 5.982 1.00 0.00 C ATOM 2459 N7 A C 115 44.996 110.882 7.227 1.00 0.00 N ATOM 2460 C5 A C 115 44.078 111.659 7.923 1.00 0.00 C ATOM 2461 C6 A C 115 43.856 111.860 9.296 1.00 0.00 C ATOM 2462 N6 A C 115 44.579 111.268 10.258 1.00 0.00 N ATOM 2463 N1 A C 115 42.860 112.694 9.645 1.00 0.00 N ATOM 2464 C2 A C 115 42.144 113.282 8.684 1.00 0.00 C ATOM 2465 N3 A C 115 42.260 113.169 7.379 1.00 0.00 N ATOM 2466 C4 A C 115 43.265 112.329 7.056 1.00 0.00 C ATOM 2467 P G C 116 46.000 115.899 2.841 1.00 0.00 P ATOM 2468 O1P G C 116 46.338 116.743 1.674 1.00 0.00 O ATOM 2469 O2P G C 116 47.137 115.216 3.496 1.00 0.00 O ATOM 2470 O5* G C 116 45.194 116.767 3.923 1.00 0.00 O ATOM 2471 C5* G C 116 43.993 117.449 3.517 1.00 0.00 C ATOM 2472 C4* G C 116 43.337 118.098 4.717 1.00 0.00 C ATOM 2473 O4* G C 116 42.839 117.055 5.606 1.00 0.00 O ATOM 2474 C3* G C 116 44.254 118.936 5.609 1.00 0.00 C ATOM 2475 O3* G C 116 44.402 120.230 5.117 1.00 0.00 O ATOM 2476 C2* G C 116 43.525 118.891 6.951 1.00 0.00 C ATOM 2477 O2* G C 116 42.406 119.762 6.941 1.00 0.00 O ATOM 2478 C1* G C 116 42.976 117.467 6.955 1.00 0.00 C ATOM 2479 N9 G C 116 43.860 116.489 7.646 1.00 0.00 N ATOM 2480 C8 G C 116 44.672 115.515 7.105 1.00 0.00 C ATOM 2481 N7 G C 116 45.331 114.812 7.999 1.00 0.00 N ATOM 2482 C5 G C 116 44.927 115.361 9.214 1.00 0.00 C ATOM 2483 C6 G C 116 45.300 115.017 10.540 1.00 0.00 C ATOM 2484 O6 G C 116 46.077 114.144 10.922 1.00 0.00 O ATOM 2485 N1 G C 116 44.652 115.831 11.479 1.00 0.00 N ATOM 2486 C2 G C 116 43.761 116.845 11.179 1.00 0.00 C ATOM 2487 N2 G C 116 43.253 117.505 12.221 1.00 0.00 N ATOM 2488 N3 G C 116 43.413 117.165 9.936 1.00 0.00 N ATOM 2489 C4 G C 116 44.030 116.385 9.011 1.00 0.00 C ATOM 2490 P G C 117 45.834 120.992 5.329 1.00 0.00 P ATOM 2491 O1P G C 117 45.918 122.172 4.441 1.00 0.00 O ATOM 2492 O2P G C 117 46.934 120.010 5.202 1.00 0.00 O ATOM 2493 O5* G C 117 45.700 121.465 6.850 1.00 0.00 O ATOM 2494 C5* G C 117 44.630 122.355 7.214 1.00 0.00 C ATOM 2495 C4* G C 117 44.620 122.572 8.714 1.00 0.00 C ATOM 2496 O4* G C 117 44.244 121.324 9.366 1.00 0.00 O ATOM 2497 C3* G C 117 45.967 122.926 9.346 1.00 0.00 C ATOM 2498 O3* G C 117 46.229 124.292 9.254 1.00 0.00 O ATOM 2499 C2* G C 117 45.777 122.456 10.784 1.00 0.00 C ATOM 2500 O2* G C 117 44.973 123.367 11.513 1.00 0.00 O ATOM 2501 C1* G C 117 44.951 121.189 10.590 1.00 0.00 C ATOM 2502 N9 G C 117 45.770 119.946 10.515 1.00 0.00 N ATOM 2503 C8 G C 117 46.078 119.170 9.416 1.00 0.00 C ATOM 2504 N7 G C 117 46.826 118.128 9.692 1.00 0.00 N ATOM 2505 C5 G C 117 47.028 118.222 11.069 1.00 0.00 C ATOM 2506 C6 G C 117 47.760 117.379 11.942 1.00 0.00 C ATOM 2507 O6 G C 117 48.394 116.359 11.678 1.00 0.00 O ATOM 2508 N1 G C 117 47.705 117.840 13.264 1.00 0.00 N ATOM 2509 C2 G C 117 47.031 118.969 13.686 1.00 0.00 C ATOM 2510 N2 G C 117 47.102 119.240 14.992 1.00 0.00 N ATOM 2511 N3 G C 117 46.345 119.761 12.865 1.00 0.00 N ATOM 2512 C4 G C 117 46.387 119.327 11.579 1.00 0.00 C ATOM 2513 P C C 118 47.772 124.784 9.065 1.00 0.00 P ATOM 2514 O1P C C 118 47.811 126.200 8.628 1.00 0.00 O ATOM 2515 O2P C C 118 48.493 123.823 8.198 1.00 0.00 O ATOM 2516 O5* C C 118 48.312 124.669 10.569 1.00 0.00 O ATOM 2517 C5* C C 118 47.686 125.455 11.598 1.00 0.00 C ATOM 2518 C4* C C 118 48.269 125.097 12.949 1.00 0.00 C ATOM 2519 O4* C C 118 47.870 123.736 13.288 1.00 0.00 O ATOM 2520 C3* C C 118 49.793 125.065 13.032 1.00 0.00 C ATOM 2521 O3* C C 118 50.317 126.337 13.257 1.00 0.00 O ATOM 2522 C2* C C 118 50.032 124.110 14.202 1.00 0.00 C ATOM 2523 O2* C C 118 49.778 124.758 15.437 1.00 0.00 O ATOM 2524 C1* C C 118 48.916 123.093 13.997 1.00 0.00 C ATOM 2525 N1 C C 118 49.336 121.897 13.214 1.00 0.00 N ATOM 2526 C2 C C 118 50.144 120.956 13.845 1.00 0.00 C ATOM 2527 O2 C C 118 50.479 121.150 15.021 1.00 0.00 O ATOM 2528 N3 C C 118 50.539 119.860 13.149 1.00 0.00 N ATOM 2529 C4 C C 118 50.152 119.684 11.877 1.00 0.00 C ATOM 2530 N4 C C 118 50.562 118.598 11.244 1.00 0.00 N ATOM 2531 C5 C C 118 49.321 120.638 11.209 1.00 0.00 C ATOM 2532 C6 C C 118 48.941 121.727 11.923 1.00 0.00 C ATOM 2533 P A C 119 51.762 126.716 12.595 1.00 0.00 P ATOM 2534 O1P A C 119 51.971 128.181 12.632 1.00 0.00 O ATOM 2535 O2P A C 119 51.874 126.086 11.263 1.00 0.00 O ATOM 2536 O5* A C 119 52.761 126.001 13.620 1.00 0.00 O ATOM 2537 C5* A C 119 52.751 126.405 15.003 1.00 0.00 C ATOM 2538 C4* A C 119 53.678 125.517 15.810 1.00 0.00 C ATOM 2539 O4* A C 119 53.122 124.170 15.853 1.00 0.00 O ATOM 2540 C3* A C 119 55.078 125.316 15.230 1.00 0.00 C ATOM 2541 O3* A C 119 55.932 126.356 15.586 1.00 0.00 O ATOM 2542 C2* A C 119 55.490 123.977 15.841 1.00 0.00 C ATOM 2543 O2* A C 119 55.859 124.141 17.200 1.00 0.00 O ATOM 2544 C1* A C 119 54.169 123.215 15.826 1.00 0.00 C ATOM 2545 N9 A C 119 53.985 122.365 14.617 1.00 0.00 N ATOM 2546 C8 A C 119 53.167 122.568 13.531 1.00 0.00 C ATOM 2547 N7 A C 119 53.236 121.630 12.635 1.00 0.00 N ATOM 2548 C5 A C 119 54.160 120.737 13.157 1.00 0.00 C ATOM 2549 C6 A C 119 54.675 119.522 12.680 1.00 0.00 C ATOM 2550 N6 A C 119 54.312 118.971 11.511 1.00 0.00 N ATOM 2551 N1 A C 119 55.579 118.887 13.450 1.00 0.00 N ATOM 2552 C2 A C 119 55.934 119.437 14.608 1.00 0.00 C ATOM 2553 N3 A C 119 55.525 120.563 15.153 1.00 0.00 N ATOM 2554 C4 A C 119 54.621 121.176 14.364 1.00 0.00 C ATOM 2555 H8 A C 119 52.487 123.387 13.425 1.00 0.00 H ATOM 2556 H2 A C 119 56.682 118.800 14.940 1.00 0.00 H ATOM 2557 P U C 120 57.523 126.087 15.638 1.00 0.00 P ATOM 2558 O1P U C 120 57.939 125.653 16.990 1.00 0.00 O ATOM 2559 O2P U C 120 58.058 127.390 15.188 1.00 0.00 O ATOM 2560 O5* U C 120 57.788 124.807 14.377 1.00 0.00 O ATOM 2561 C5* U C 120 57.881 124.991 12.959 1.00 0.00 C ATOM 2562 C4* U C 120 57.568 123.654 12.109 1.00 0.00 C ATOM 2563 O4* U C 120 56.250 123.046 12.233 1.00 0.00 O ATOM 2564 C3* U C 120 57.898 123.508 10.621 1.00 0.00 C ATOM 2565 O3* U C 120 59.326 123.758 10.203 1.00 0.00 O ATOM 2566 C2* U C 120 57.275 122.155 10.287 1.00 0.00 C ATOM 2567 O2* U C 120 58.082 121.098 10.772 1.00 0.00 O ATOM 2568 C1* U C 120 56.013 122.179 11.138 1.00 0.00 C ATOM 2569 N1 U C 120 54.625 122.712 10.325 1.00 0.00 N ATOM 2570 C2 U C 120 54.253 122.018 9.201 1.00 0.00 C ATOM 2571 O2 U C 120 54.903 121.084 8.754 1.00 0.00 O ATOM 2572 N3 U C 120 53.083 122.437 8.602 1.00 0.00 N ATOM 2573 C4 U C 120 52.271 123.472 9.028 1.00 0.00 C ATOM 2574 O4 U C 120 51.244 123.759 8.404 1.00 0.00 O ATOM 2575 C5 U C 120 52.745 124.143 10.212 1.00 0.00 C ATOM 2576 C6 U C 120 53.882 123.753 10.814 1.00 0.00 C TER 2577 U C 120 MASTER 71 0 0 12 0 0 0 6 2576 1 0 10 END ./arbsrc_9167/lib/rna3d/Ecoli_1M5G_16S_rRNA.pdb0000644012664100000130001222003211213220015020467 0ustar arb_buildcodersHEADER RIBOSOME 09-JUL-02 1M5G TITLE ALL-ATOM HOMOLOGY STRUCTURE OF THE ESCHERICHIA COLI 30S TITLE 2 RIBOSOMAL SUBUNIT COMPND MOL_ID: 1; COMPND 2 MOLECULE: 16S RIBOSOMAL RNA; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: 30S RIBOSOMAL PROTEIN S2; COMPND 6 CHAIN: B; COMPND 7 MOL_ID: 3; COMPND 8 MOLECULE: 30S RIBOSOMAL PROTEIN S3; COMPND 9 CHAIN: C; COMPND 10 MOL_ID: 4; COMPND 11 MOLECULE: 30S RIBOSOMAL PROTEIN S4; COMPND 12 CHAIN: D; COMPND 13 MOL_ID: 5; COMPND 14 MOLECULE: 30S RIBOSOMAL PROTEIN S5; COMPND 15 CHAIN: E; COMPND 16 MOL_ID: 6; COMPND 17 MOLECULE: 30S RIBOSOMAL PROTEIN S6; COMPND 18 CHAIN: F; COMPND 19 MOL_ID: 7; COMPND 20 MOLECULE: 30S RIBOSOMAL PROTEIN S7; COMPND 21 CHAIN: G; COMPND 22 MOL_ID: 8; COMPND 23 MOLECULE: 30S RIBOSOMAL PROTEIN S8; COMPND 24 CHAIN: H; COMPND 25 MOL_ID: 9; COMPND 26 MOLECULE: 30S RIBOSOMAL PROTEIN S9; COMPND 27 CHAIN: I; COMPND 28 MOL_ID: 10; COMPND 29 MOLECULE: 30S RIBOSOMAL PROTEIN S10; COMPND 30 CHAIN: J; COMPND 31 MOL_ID: 11; COMPND 32 MOLECULE: 30S RIBOSOMAL PROTEIN S11; COMPND 33 CHAIN: K; COMPND 34 MOL_ID: 12; COMPND 35 MOLECULE: 30S RIBOSOMAL PROTEIN S12; COMPND 36 CHAIN: L; COMPND 37 MOL_ID: 13; COMPND 38 MOLECULE: 30S RIBOSOMAL PROTEIN S13; COMPND 39 CHAIN: M; COMPND 40 MOL_ID: 14; COMPND 41 MOLECULE: 30S RIBOSOMAL PROTEIN S14; COMPND 42 CHAIN: N; COMPND 43 MOL_ID: 15; COMPND 44 MOLECULE: 30S RIBOSOMAL PROTEIN S15; COMPND 45 CHAIN: O; COMPND 46 MOL_ID: 16; COMPND 47 MOLECULE: 30S RIBOSOMAL PROTEIN S16; COMPND 48 CHAIN: P; COMPND 49 MOL_ID: 17; COMPND 50 MOLECULE: 30S RIBOSOMAL PROTEIN S17; COMPND 51 CHAIN: Q; COMPND 52 MOL_ID: 18; COMPND 53 MOLECULE: 30S RIBOSOMAL PROTEIN S18; COMPND 54 CHAIN: R; COMPND 55 MOL_ID: 19; COMPND 56 MOLECULE: 30S RIBOSOMAL PROTEIN S19; COMPND 57 CHAIN: S; COMPND 58 MOL_ID: 20; COMPND 59 MOLECULE: 30S RIBOSOMAL PROTEIN S20; COMPND 60 CHAIN: T SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: BACTERIA; SOURCE 4 MOL_ID: 2; SOURCE 5 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 6 ORGANISM_COMMON: BACTERIA; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 9 ORGANISM_COMMON: BACTERIA; SOURCE 10 MOL_ID: 4; SOURCE 11 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 12 ORGANISM_COMMON: BACTERIA; SOURCE 13 MOL_ID: 5; SOURCE 14 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 15 ORGANISM_COMMON: BACTERIA; SOURCE 16 MOL_ID: 6; SOURCE 17 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 18 ORGANISM_COMMON: BACTERIA; SOURCE 19 MOL_ID: 7; SOURCE 20 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 21 ORGANISM_COMMON: BACTERIA; SOURCE 22 MOL_ID: 8; SOURCE 23 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 24 ORGANISM_COMMON: BACTERIA; SOURCE 25 MOL_ID: 9; SOURCE 26 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 27 ORGANISM_COMMON: BACTERIA; SOURCE 28 MOL_ID: 10; SOURCE 29 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 30 ORGANISM_COMMON: BACTERIA; SOURCE 31 MOL_ID: 11; SOURCE 32 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 33 ORGANISM_COMMON: BACTERIA; SOURCE 34 MOL_ID: 12; SOURCE 35 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 36 ORGANISM_COMMON: BACTERIA; SOURCE 37 MOL_ID: 13; SOURCE 38 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 39 ORGANISM_COMMON: BACTERIA; SOURCE 40 MOL_ID: 14; SOURCE 41 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 42 ORGANISM_COMMON: BACTERIA; SOURCE 43 MOL_ID: 15; SOURCE 44 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 45 ORGANISM_COMMON: BACTERIA; SOURCE 46 MOL_ID: 16; SOURCE 47 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 48 ORGANISM_COMMON: BACTERIA; SOURCE 49 MOL_ID: 17; SOURCE 50 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 51 ORGANISM_COMMON: BACTERIA; SOURCE 52 MOL_ID: 18; SOURCE 53 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 54 ORGANISM_COMMON: BACTERIA; SOURCE 55 MOL_ID: 19; SOURCE 56 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 57 ORGANISM_COMMON: BACTERIA; SOURCE 58 MOL_ID: 20; SOURCE 59 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 60 ORGANISM_COMMON: BACTERIA KEYWDS HOMOLOGY MODEL EXPDTA THEORETICAL MODEL AUTHOR C.TUNG,S.JOSEPH,K.SANBONMATSU REVDAT 1 25-SEP-02 1M5G 0 JRNL AUTH C.TUNG,S.JOSEPH,K.SANBONMATSU JRNL TITL ALL-ATOM HOMOLOGY MODEL OF THE ESCHERICHIA COLI JRNL TITL 2 30S RIBOSOMAL SUBUNIT JRNL REF NAT.STRUCT.BIOL. V. 9 750 2002 JRNL REFN ASTM NSBIEW US ISSN 1072-8368 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1M5G COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-AUG-2002. REMARK 100 THE RCSB ID CODE IS RCSB016621. REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING REMARK 220 REMARK 220 REMARK: NULL REMARK 225 REMARK 225 THEORETICAL MODEL REMARK 225 THE COORDINATES IN THIS ENTRY REPRESENT A MODEL STRUCTURE. REMARK 225 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT CRYST1 AND REMARK 225 SCALE RECORDS BE INCLUDED, BUT THE VALUES ON THESE REMARK 225 RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI REMARK 500 O2* C A 264 O5* G A 265 1.84 REMARK 500 O2P A A 263 NH1 ARG T 74 2.11 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 VAL O 75 CB VAL O 75 CA -0.140 REMARK 500 VAL O 75 CG1 VAL O 75 CB -0.122 REMARK 500 VAL O 75 CG2 VAL O 75 CB -0.121 REMARK 500 VAL O 75 O VAL O 75 C 0.149 REMARK 500 ALA O 76 CA ALA O 76 N -0.089 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASN D 140 C - N - CA ANGL. DEV. = 13.3 DEGREES REMARK 500 MET G 116 CG - SD - CE ANGL. DEV. = 17.3 DEGREES REMARK 500 ARG N 69 C - N - CA ANGL. DEV. = 15.1 DEGREES REMARK 500 SER O 61 CA - CB - OG ANGL. DEV. =-14.4 DEGREES REMARK 500 ALA O 76 N - CA - CB ANGL. DEV. =-23.3 DEGREES REMARK 500 ALA O 76 N - CA - C ANGL. DEV. = 18.0 DEGREES REMARK 500 LYS P 80 CB - CG - CD ANGL. DEV. = 15.8 DEGREES REMARK 500 ALA P 82 N - CA - C ANGL. DEV. = 14.6 DEGREES REMARK 500 ILE T 67 CB - CA - C ANGL. DEV. = 18.4 DEGREES REMARK 500 LYS T 71 CB - CG - CD ANGL. DEV. = 17.0 DEGREES REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN B 19 157.40 53.02 REMARK 500 LYS B 37 -47.17 77.21 REMARK 500 ASP B 123 -168.74 -22.71 REMARK 500 THR C 26 -91.47 47.13 REMARK 500 ALA C 146 164.91 65.14 REMARK 500 TYR C 168 117.61 109.92 REMARK 500 TYR D 4 -80.29 56.44 REMARK 500 ARG D 26 -41.48 54.63 REMARK 500 ILE D 34 -66.00 58.56 REMARK 500 ASN D 140 -8.42 123.45 REMARK 500 LYS F 53 -33.25 72.63 REMARK 500 GLU G 146 -44.50 64.30 REMARK 500 GLN I 32 -40.99 122.05 REMARK 500 VAL I 58 -87.76 45.01 REMARK 500 ALA I 121 -44.36 70.01 REMARK 500 VAL J 36 128.56 74.70 REMARK 500 LEU J 42 146.55 81.60 REMARK 500 ARG J 62 -78.34 61.89 REMARK 500 VAL J 74 -59.98 76.57 REMARK 500 SER K 17 -54.64 67.72 REMARK 500 ASN K 119 152.77 49.14 REMARK 500 LYS L 44 -101.05 46.59 REMARK 500 SER N 55 -45.42 70.79 REMARK 500 ASN O 20 6.77 122.74 REMARK 500 ARG O 88 -95.67 93.39 REMARK 500 ARG R 6 56.16 112.82 REMARK 500 LYS S 6 -100.54 119.77 REMARK 500 HIS T 68 123.53 38.97 REMARK 500 LYS T 69 -156.71 94.96 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 LYS B 11 ALA B 12 149.52 REMARK 500 VAL B 14 HIS B 15 -146.63 REMARK 500 GLN B 122 ASP B 123 140.17 REMARK 500 VAL C 97 PRO C 98 -129.75 REMARK 500 GLN C 139 ASN C 140 145.09 REMARK 500 GLU C 166 TRP C 167 -146.04 REMARK 500 ALA C 180 ASP C 181 -142.28 REMARK 500 LYS D 22 SER D 23 -145.16 REMARK 500 ILE D 123 MET D 124 -148.79 REMARK 500 ILE D 195 ASN D 196 149.03 REMARK 500 SER F 15 GLU F 16 147.52 REMARK 500 ILE F 85 ARG F 86 146.35 REMARK 500 GLU H 43 GLY H 44 142.79 REMARK 500 PHE H 66 GLN H 67 132.11 REMARK 500 ILE H 101 ALA H 102 147.81 REMARK 500 ARG J 62 ASP J 63 -148.77 REMARK 500 VAL J 96 ASP J 97 144.65 REMARK 500 SER J 101 LEU J 102 -146.34 REMARK 500 HIS K 118 ASN K 119 -143.89 REMARK 500 ARG N 69 PRO N 70 -125.10 REMARK 500 PRO N 70 HIS N 71 -142.63 REMARK 500 GLY N 72 PHE N 73 -143.16 REMARK 500 ASP O 74 VAL O 75 141.38 REMARK 500 ARG O 88 ARG O 89 -147.51 REMARK 500 VAL P 19 VAL P 20 -148.18 REMARK 500 ILE P 42 ALA P 43 148.36 REMARK 500 ALA P 81 ALA P 82 80.32 REMARK 500 ASP Q 57 VAL Q 58 148.26 REMARK 500 LEU Q 67 SER Q 68 148.36 REMARK 500 LYS S 29 PRO S 30 -126.63 DBREF 1M5G A 5 1534 GB 1790440 AE000474 281 1810 DBREF 1M5G B 6 214 SWS P02351 RS2_ECOLI 5 213 DBREF 1M5G C 2 207 SWS P02352 RS3_ECOLI 1 206 DBREF 1M5G D 2 206 SWS P02354 RS4_ECOLI 1 205 DBREF 1M5G E 10 159 SWS P02356 RS5_ECOLI 9 158 DBREF 1M5G F 1 100 SWS P02358 RS6_ECOLI 1 100 DBREF 1M5G G 3 156 SWS P02359 RS7_ECOLI 2 155 DBREF 1M5G H 2 130 SWS P02361 RS8_ECOLI 1 129 DBREF 1M5G I 4 130 SWS P02363 RS9_ECOLI 3 129 DBREF 1M5G J 5 102 SWS P02364 RS10_ECOLI 5 102 DBREF 1M5G K 13 129 SWS P02366 RS11_ECOLI 12 128 DBREF 1M5G L 2 124 SWS P02367 RS12_ECOLI 1 123 DBREF 1M5G M 2 118 SWS P02369 RS13_ECOLI 1 117 DBREF 1M5G N 42 101 SWS P02370 RS14_ECOLI 41 100 DBREF 1M5G O 2 89 GB 12517776 AAG58301 2 89 DBREF 1M5G P 1 82 SWS P02372 RS16_ECOLI 1 82 DBREF 1M5G Q 4 84 SWS P02373 RS17_ECOLI 3 83 DBREF 1M5G R 5 75 SWS P02374 RS18_ECOLI 4 74 DBREF 1M5G S 3 81 SWS P02375 RS19_ECOLI 2 80 DBREF 1M5G T 3 87 SWS P02378 RS20_ECOLI 2 86 SEQRES 1 A 1530 U G A A G A G U U U G A U SEQRES 2 A 1530 C A U G G C U C A G A U U SEQRES 3 A 1530 G A A C G C U G G C G G C SEQRES 4 A 1530 A G G C C U A A C A C A U SEQRES 5 A 1530 G C A A G U C G A A C G G SEQRES 6 A 1530 U A A C A G G A A G A A G SEQRES 7 A 1530 C U U G C U U C U U U G C SEQRES 8 A 1530 U G A C G A G U G G C G G SEQRES 9 A 1530 A C G G G U G A G U A A U SEQRES 10 A 1530 G U C U G G G A A A C U G SEQRES 11 A 1530 C C U G A U G G A G G G G SEQRES 12 A 1530 G A U A A C U A C U G G A SEQRES 13 A 1530 A A C G G U A G C U A A U SEQRES 14 A 1530 A C C G C A U A A C G U C SEQRES 15 A 1530 G C A A G A C C A A A G A SEQRES 16 A 1530 G G G G G A C C U U C G G SEQRES 17 A 1530 G C C U C U U G C C A U C SEQRES 18 A 1530 G G A U G U G C C C A G A SEQRES 19 A 1530 U G G G A U U A G C U A G SEQRES 20 A 1530 U A G G U G G G G U A A C SEQRES 21 A 1530 G G C U C A C C U A G G C SEQRES 22 A 1530 G A C G A U C C C U A G C SEQRES 23 A 1530 U G G U C U G A G A G G A SEQRES 24 A 1530 U G A C C A G C C A C A C SEQRES 25 A 1530 U G G A A C U G A G A C A SEQRES 26 A 1530 C G G U C C A G A C U C C SEQRES 27 A 1530 U A C G G G A G G C A G C SEQRES 28 A 1530 A G U G G G G A A U A U U SEQRES 29 A 1530 G C A C A A U G G G C G C SEQRES 30 A 1530 A A G C C U G A U G C A G SEQRES 31 A 1530 C C A U G C C G C G U G U SEQRES 32 A 1530 A U G A A G A A G G C C U SEQRES 33 A 1530 U C G G G U U G U A A A G SEQRES 34 A 1530 U A C U U U C A G C G G G SEQRES 35 A 1530 G A G G A A G G G A G U A SEQRES 36 A 1530 A A G U U A A U A C C U U SEQRES 37 A 1530 U G C U C A U U G A C G U SEQRES 38 A 1530 U A C C C G C A G A A G A SEQRES 39 A 1530 A G C A C C G G C U A A C SEQRES 40 A 1530 U C C G U G C C A G C A G SEQRES 41 A 1530 C C G C G G U A A U A C G SEQRES 42 A 1530 G A G G G U G C A A G C G SEQRES 43 A 1530 U U A A U C G G A A U U A SEQRES 44 A 1530 C U G G G C G U A A A G C SEQRES 45 A 1530 G C A C G C A G G C G G U SEQRES 46 A 1530 U U G U U A A G U C A G A SEQRES 47 A 1530 U G U G A A A U C C C C G SEQRES 48 A 1530 G G C U C A A C C U G G G SEQRES 49 A 1530 A A C U G C A U C U G A U SEQRES 50 A 1530 A C U G G C A A G C U U G SEQRES 51 A 1530 A G U C U C G U A G A G G SEQRES 52 A 1530 G G G G U A G A A U U C C SEQRES 53 A 1530 A G G U G U A G C G G U G SEQRES 54 A 1530 A A A U G C G U A G A G A SEQRES 55 A 1530 U C U G G A G G A A U A C SEQRES 56 A 1530 C G G U G G C G A A G G C SEQRES 57 A 1530 G G C C C C C U G G A C G SEQRES 58 A 1530 A A G A C U G A C G C U C SEQRES 59 A 1530 A G G U G C G A A A G C G SEQRES 60 A 1530 U G G G G A G C A A A C A SEQRES 61 A 1530 G G A U U A G A U A C C C SEQRES 62 A 1530 U G G U A G U C C A C G C SEQRES 63 A 1530 C G U A A A C G A U G U C SEQRES 64 A 1530 G A C U U G G A G G U U G SEQRES 65 A 1530 U G C C C U U G A G G C G SEQRES 66 A 1530 U G G C U U C C G G A G C SEQRES 67 A 1530 U A A C G C G U U A A G U SEQRES 68 A 1530 C G A C C G C C U G G G G SEQRES 69 A 1530 A G U A C G G C C G C A A SEQRES 70 A 1530 G G U U A A A A C U C A A SEQRES 71 A 1530 A U G A A U U G A C G G G SEQRES 72 A 1530 G G C C C G C A C A A G C SEQRES 73 A 1530 G G U G G A G C A U G U G SEQRES 74 A 1530 G U U U A A U U C G A U G SEQRES 75 A 1530 C A A C G C G A A G A A C SEQRES 76 A 1530 C U U A C C U G G U C U U SEQRES 77 A 1530 G A C A U C C A C G G A A SEQRES 78 A 1530 G U U U U C A G A G A U G SEQRES 79 A 1530 A G A A U G U G C C U U C SEQRES 80 A 1530 G G G A A C C G U G A G A SEQRES 81 A 1530 C A G G U G C U G C A U G SEQRES 82 A 1530 G C U G U C G U C A G C U SEQRES 83 A 1530 C G U G U U G U G A A A U SEQRES 84 A 1530 G U U G G G U U A A G U C SEQRES 85 A 1530 C C G C A A C G A G C G C SEQRES 86 A 1530 A A C C C U U A U C C U U SEQRES 87 A 1530 U G U U G C C A G C G G U SEQRES 88 A 1530 C C G G C C G G G A A C U SEQRES 89 A 1530 C A A A G G A G A C U G C SEQRES 90 A 1530 C A G U G A U A A A C U G SEQRES 91 A 1530 G A G G A A G G U G G G G SEQRES 92 A 1530 A U G A C G U C A A G U C SEQRES 93 A 1530 A U C A U G G C C C U U A SEQRES 94 A 1530 C G A C C A G G G C U A C SEQRES 95 A 1530 A C A C G U G C U A C A A SEQRES 96 A 1530 U G G C G C A U A C A A A SEQRES 97 A 1530 G A G A A G C G A C C U C SEQRES 98 A 1530 G C G A G A G C A A G C G SEQRES 99 A 1530 G A C C U C A U A A A G U SEQRES 10 A 1530 G C G U C G U A G U C C G SEQRES 10 A 1530 G A U U G G A G U C U G C SEQRES 10 A 1530 A A C U C G A C U C C A U SEQRES 10 A 1530 G A A G U C G G A A U C G SEQRES 10 A 1530 C U A G U A A U C G U G G SEQRES 10 A 1530 A U C A G A A U G C C A C SEQRES 10 A 1530 G G U G A A U A C G U U C SEQRES 10 A 1530 C C G G G C C U U G U A C SEQRES 10 A 1530 A C A C C G C C C G U C A SEQRES 10 A 1530 C A C C A U G G G A G U G SEQRES 11 A 1530 G G U U G C A A A A G A A SEQRES 11 A 1530 G U A G G U A G C U U A A SEQRES 11 A 1530 C C U U C G G G A G G G C SEQRES 11 A 1530 G C U U A C C A C U U U G SEQRES 11 A 1530 U G A U U C A U G A C U G SEQRES 11 A 1530 G G G U G A A G U C G U A SEQRES 11 A 1530 A C A A G G U A A C C G U SEQRES 11 A 1530 A G G G G A A C C U G C G SEQRES 11 A 1530 G U U G G A U C A SHEET 1 A 2 ILE B 31 ARG B 35 0 SHEET 2 A 2 VAL B 38 ILE B 41 -1 O VAL B 38 N ARG B 35 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 O5* U A 5 133.885 110.003 1.323 0.00 0.00 O ATOM 2 C5* U A 5 133.883 109.287 2.545 0.00 0.00 C ATOM 3 C4* U A 5 134.951 109.819 3.503 0.00 0.00 C ATOM 4 O4* U A 5 134.590 111.092 4.005 0.00 0.00 O ATOM 5 C3* U A 5 135.098 108.954 4.750 0.00 0.00 C ATOM 6 O3* U A 5 135.748 107.735 4.381 0.00 0.00 O ATOM 7 C2* U A 5 135.746 109.975 5.708 0.00 0.00 C ATOM 8 O2* U A 5 137.144 109.971 5.686 0.00 0.00 O ATOM 9 C1* U A 5 135.389 111.357 5.150 0.00 0.00 C ATOM 10 N1 U A 5 134.731 112.328 6.082 0.00 0.00 N ATOM 11 C2 U A 5 135.188 112.494 7.405 0.00 0.00 C ATOM 12 O2 U A 5 136.155 111.917 7.885 0.00 0.00 O ATOM 13 N3 U A 5 134.522 113.413 8.197 0.00 0.00 N ATOM 14 C4 U A 5 133.550 114.285 7.757 0.00 0.00 C ATOM 15 O4 U A 5 133.089 115.124 8.514 0.00 0.00 O ATOM 16 C5 U A 5 133.207 114.145 6.360 0.00 0.00 C ATOM 17 C6 U A 5 133.782 113.194 5.582 0.00 0.00 C ATOM 18 P G A 6 136.726 106.867 5.328 0.00 0.00 P ATOM 19 O1P G A 6 136.496 105.431 5.045 0.00 0.00 O ATOM 20 O2P G A 6 136.660 107.391 6.708 0.00 0.00 O ATOM 21 O5* G A 6 138.148 107.301 4.709 0.00 0.00 O ATOM 22 C5* G A 6 138.549 106.847 3.427 0.00 0.00 C ATOM 23 C4* G A 6 139.344 107.895 2.636 0.00 0.00 C ATOM 24 O4* G A 6 138.558 109.027 2.313 0.00 0.00 O ATOM 25 C3* G A 6 140.553 108.480 3.352 0.00 0.00 C ATOM 26 O3* G A 6 141.601 107.527 3.490 0.00 0.00 O ATOM 27 C2* G A 6 140.833 109.714 2.472 0.00 0.00 C ATOM 28 O2* G A 6 141.688 109.480 1.365 0.00 0.00 O ATOM 29 C1* G A 6 139.452 110.032 1.865 0.00 0.00 C ATOM 30 N9 G A 6 138.913 111.378 2.183 0.00 0.00 N ATOM 31 C8 G A 6 138.391 112.303 1.314 0.00 0.00 C ATOM 32 N7 G A 6 137.941 113.386 1.885 0.00 0.00 N ATOM 33 C5 G A 6 138.218 113.192 3.240 0.00 0.00 C ATOM 34 C6 G A 6 138.003 114.028 4.393 0.00 0.00 C ATOM 35 O6 G A 6 137.497 115.142 4.467 0.00 0.00 O ATOM 36 N1 G A 6 138.450 113.468 5.579 0.00 0.00 N ATOM 37 C2 G A 6 139.113 112.275 5.639 0.00 0.00 C ATOM 38 N2 G A 6 139.594 111.900 6.798 0.00 0.00 N ATOM 39 N3 G A 6 139.365 111.503 4.587 0.00 0.00 N ATOM 40 C4 G A 6 138.851 111.982 3.420 0.00 0.00 C ATOM 41 P A A 7 142.948 107.864 4.292 0.00 0.00 P ATOM 42 O1P A A 7 143.390 106.566 4.861 0.00 0.00 O ATOM 43 O2P A A 7 142.676 108.993 5.203 0.00 0.00 O ATOM 44 O5* A A 7 144.009 108.337 3.182 0.00 0.00 O ATOM 45 C5* A A 7 144.989 107.454 2.650 0.00 0.00 C ATOM 46 C4* A A 7 145.956 108.171 1.704 0.00 0.00 C ATOM 47 O4* A A 7 145.334 108.504 0.481 0.00 0.00 O ATOM 48 C3* A A 7 146.516 109.488 2.276 0.00 0.00 C ATOM 49 O3* A A 7 147.782 109.348 2.905 0.00 0.00 O ATOM 50 C2* A A 7 146.414 110.487 1.106 0.00 0.00 C ATOM 51 O2* A A 7 147.559 111.283 0.857 0.00 0.00 O ATOM 52 C1* A A 7 146.049 109.588 -0.076 0.00 0.00 C ATOM 53 N9 A A 7 145.117 110.251 -1.002 0.00 0.00 N ATOM 54 C8 A A 7 143.881 110.740 -0.685 0.00 0.00 C ATOM 55 N7 A A 7 143.155 111.087 -1.707 0.00 0.00 N ATOM 56 C5 A A 7 144.008 110.844 -2.791 0.00 0.00 C ATOM 57 C6 A A 7 143.892 110.980 -4.194 0.00 0.00 C ATOM 58 N6 A A 7 142.824 111.443 -4.820 0.00 0.00 N ATOM 59 N1 A A 7 144.918 110.692 -4.998 0.00 0.00 N ATOM 60 C2 A A 7 146.045 110.275 -4.439 0.00 0.00 C ATOM 61 N3 A A 7 146.302 110.082 -3.147 0.00 0.00 N ATOM 62 C4 A A 7 145.224 110.373 -2.367 0.00 0.00 C ATOM 63 P A A 8 149.045 108.576 2.273 0.00 0.00 P ATOM 64 O1P A A 8 148.993 108.598 0.791 0.00 0.00 O ATOM 65 O2P A A 8 149.177 107.281 2.976 0.00 0.00 O ATOM 66 O5* A A 8 150.222 109.552 2.735 0.00 0.00 O ATOM 67 C5* A A 8 150.380 110.827 2.136 0.00 0.00 C ATOM 68 C4* A A 8 151.748 111.413 2.470 0.00 0.00 C ATOM 69 O4* A A 8 151.756 111.861 3.820 0.00 0.00 O ATOM 70 C3* A A 8 152.864 110.372 2.306 0.00 0.00 C ATOM 71 O3* A A 8 153.990 111.015 1.734 0.00 0.00 O ATOM 72 C2* A A 8 153.057 109.908 3.758 0.00 0.00 C ATOM 73 O2* A A 8 154.327 109.349 4.056 0.00 0.00 O ATOM 74 C1* A A 8 152.796 111.198 4.520 0.00 0.00 C ATOM 75 N9 A A 8 152.414 110.991 5.938 0.00 0.00 N ATOM 76 C8 A A 8 151.163 110.888 6.493 0.00 0.00 C ATOM 77 N7 A A 8 151.149 110.923 7.805 0.00 0.00 N ATOM 78 C5 A A 8 152.506 110.947 8.143 0.00 0.00 C ATOM 79 C6 A A 8 153.252 110.983 9.353 0.00 0.00 C ATOM 80 N6 A A 8 152.796 111.017 10.590 0.00 0.00 N ATOM 81 N1 A A 8 154.576 111.106 9.323 0.00 0.00 N ATOM 82 C2 A A 8 155.191 111.104 8.150 0.00 0.00 C ATOM 83 N3 A A 8 154.634 111.067 6.946 0.00 0.00 N ATOM 84 C4 A A 8 153.276 110.993 7.006 0.00 0.00 C ATOM 85 P G A 9 154.193 111.046 0.134 0.00 0.00 P ATOM 86 O1P G A 9 153.552 112.285 -0.370 0.00 0.00 O ATOM 87 O2P G A 9 153.762 109.734 -0.407 0.00 0.00 O ATOM 88 O5* G A 9 155.780 111.176 -0.097 0.00 0.00 O ATOM 89 C5* G A 9 156.587 111.948 0.774 0.00 0.00 C ATOM 90 C4* G A 9 157.173 111.100 1.918 0.00 0.00 C ATOM 91 O4* G A 9 156.526 109.850 2.099 0.00 0.00 O ATOM 92 C3* G A 9 158.625 110.729 1.681 0.00 0.00 C ATOM 93 O3* G A 9 159.460 111.858 1.856 0.00 0.00 O ATOM 94 C2* G A 9 158.791 109.620 2.724 0.00 0.00 C ATOM 95 O2* G A 9 158.891 110.096 4.059 0.00 0.00 O ATOM 96 C1* G A 9 157.441 108.905 2.613 0.00 0.00 C ATOM 97 N9 G A 9 157.497 107.721 1.727 0.00 0.00 N ATOM 98 C8 G A 9 156.782 107.431 0.590 0.00 0.00 C ATOM 99 N7 G A 9 157.039 106.253 0.085 0.00 0.00 N ATOM 100 C5 G A 9 158.025 105.736 0.927 0.00 0.00 C ATOM 101 C6 G A 9 158.746 104.494 0.905 0.00 0.00 C ATOM 102 O6 G A 9 158.698 103.574 0.091 0.00 0.00 O ATOM 103 N1 G A 9 159.589 104.332 1.993 0.00 0.00 N ATOM 104 C2 G A 9 159.709 105.252 2.996 0.00 0.00 C ATOM 105 N2 G A 9 160.447 104.956 4.038 0.00 0.00 N ATOM 106 N3 G A 9 159.089 106.426 3.030 0.00 0.00 N ATOM 107 C4 G A 9 158.264 106.611 1.962 0.00 0.00 C ATOM 108 P A A 10 160.895 111.950 1.153 0.00 0.00 P ATOM 109 O1P A A 10 161.440 113.297 1.416 0.00 0.00 O ATOM 110 O2P A A 10 160.765 111.446 -0.231 0.00 0.00 O ATOM 111 O5* A A 10 161.735 110.881 1.995 0.00 0.00 O ATOM 112 C5* A A 10 162.078 111.108 3.345 0.00 0.00 C ATOM 113 C4* A A 10 162.791 109.881 3.915 0.00 0.00 C ATOM 114 O4* A A 10 161.973 108.712 3.881 0.00 0.00 O ATOM 115 C3* A A 10 164.084 109.553 3.170 0.00 0.00 C ATOM 116 O3* A A 10 165.142 110.400 3.584 0.00 0.00 O ATOM 117 C2* A A 10 164.249 108.096 3.598 0.00 0.00 C ATOM 118 O2* A A 10 164.735 108.049 4.929 0.00 0.00 O ATOM 119 C1* A A 10 162.797 107.607 3.527 0.00 0.00 C ATOM 120 N9 A A 10 162.449 107.129 2.163 0.00 0.00 N ATOM 121 C8 A A 10 161.742 107.759 1.162 0.00 0.00 C ATOM 122 N7 A A 10 161.517 107.017 0.113 0.00 0.00 N ATOM 123 C5 A A 10 162.144 105.812 0.432 0.00 0.00 C ATOM 124 C6 A A 10 162.285 104.572 -0.230 0.00 0.00 C ATOM 125 N6 A A 10 161.781 104.313 -1.426 0.00 0.00 N ATOM 126 N1 A A 10 162.938 103.561 0.361 0.00 0.00 N ATOM 127 C2 A A 10 163.445 103.770 1.573 0.00 0.00 C ATOM 128 N3 A A 10 163.385 104.872 2.316 0.00 0.00 N ATOM 129 C4 A A 10 162.718 105.873 1.675 0.00 0.00 C ATOM 130 P G A 11 166.479 110.543 2.715 0.00 0.00 P ATOM 131 O1P G A 11 167.355 111.522 3.392 0.00 0.00 O ATOM 132 O2P G A 11 166.072 110.751 1.311 0.00 0.00 O ATOM 133 O5* G A 11 167.155 109.084 2.813 0.00 0.00 O ATOM 134 C5* G A 11 167.842 108.653 3.973 0.00 0.00 C ATOM 135 C4* G A 11 168.454 107.268 3.743 0.00 0.00 C ATOM 136 O4* G A 11 167.451 106.283 3.499 0.00 0.00 O ATOM 137 C3* G A 11 169.416 107.239 2.555 0.00 0.00 C ATOM 138 O3* G A 11 170.699 107.780 2.867 0.00 0.00 O ATOM 139 C2* G A 11 169.396 105.734 2.258 0.00 0.00 C ATOM 140 O2* G A 11 170.164 104.961 3.178 0.00 0.00 O ATOM 141 C1* G A 11 167.921 105.390 2.497 0.00 0.00 C ATOM 142 N9 G A 11 167.092 105.478 1.266 0.00 0.00 N ATOM 143 C8 G A 11 166.312 106.504 0.793 0.00 0.00 C ATOM 144 N7 G A 11 165.615 106.198 -0.269 0.00 0.00 N ATOM 145 C5 G A 11 165.985 104.883 -0.561 0.00 0.00 C ATOM 146 C6 G A 11 165.615 103.985 -1.631 0.00 0.00 C ATOM 147 O6 G A 11 164.836 104.128 -2.574 0.00 0.00 O ATOM 148 N1 G A 11 166.280 102.775 -1.568 0.00 0.00 N ATOM 149 C2 G A 11 167.159 102.434 -0.583 0.00 0.00 C ATOM 150 N2 G A 11 167.743 101.264 -0.678 0.00 0.00 N ATOM 151 N3 G A 11 167.519 103.232 0.422 0.00 0.00 N ATOM 152 C4 G A 11 166.900 104.447 0.376 0.00 0.00 C ATOM 153 P U A 12 171.577 108.553 1.753 0.00 0.00 P ATOM 154 O1P U A 12 172.850 109.023 2.351 0.00 0.00 O ATOM 155 O2P U A 12 170.709 109.497 1.026 0.00 0.00 O ATOM 156 O5* U A 12 171.934 107.374 0.743 0.00 0.00 O ATOM 157 C5* U A 12 172.868 106.375 1.074 0.00 0.00 C ATOM 158 C4* U A 12 172.850 105.286 0.009 0.00 0.00 C ATOM 159 O4* U A 12 171.588 104.609 -0.010 0.00 0.00 O ATOM 160 C3* U A 12 173.096 105.764 -1.419 0.00 0.00 C ATOM 161 O3* U A 12 174.471 106.055 -1.645 0.00 0.00 O ATOM 162 C2* U A 12 172.527 104.548 -2.166 0.00 0.00 C ATOM 163 O2* U A 12 173.272 103.356 -2.006 0.00 0.00 O ATOM 164 C1* U A 12 171.267 104.251 -1.357 0.00 0.00 C ATOM 165 N1 U A 12 170.070 104.959 -1.899 0.00 0.00 N ATOM 166 C2 U A 12 169.318 104.318 -2.897 0.00 0.00 C ATOM 167 O2 U A 12 169.601 103.222 -3.383 0.00 0.00 O ATOM 168 N3 U A 12 168.215 104.997 -3.370 0.00 0.00 N ATOM 169 C4 U A 12 167.806 106.255 -2.996 0.00 0.00 C ATOM 170 O4 U A 12 166.830 106.764 -3.523 0.00 0.00 O ATOM 171 C5 U A 12 168.633 106.860 -1.978 0.00 0.00 C ATOM 172 C6 U A 12 169.716 106.221 -1.468 0.00 0.00 C ATOM 173 P U A 13 174.953 107.307 -2.529 0.00 0.00 P ATOM 174 O1P U A 13 176.066 107.976 -1.812 0.00 0.00 O ATOM 175 O2P U A 13 173.780 108.119 -2.904 0.00 0.00 O ATOM 176 O5* U A 13 175.547 106.670 -3.870 0.00 0.00 O ATOM 177 C5* U A 13 174.686 106.166 -4.867 0.00 0.00 C ATOM 178 C4* U A 13 175.500 105.654 -6.049 0.00 0.00 C ATOM 179 O4* U A 13 174.578 105.205 -7.028 0.00 0.00 O ATOM 180 C3* U A 13 176.366 106.747 -6.693 0.00 0.00 C ATOM 181 O3* U A 13 177.564 106.147 -7.162 0.00 0.00 O ATOM 182 C2* U A 13 175.461 107.238 -7.826 0.00 0.00 C ATOM 183 O2* U A 13 176.164 107.859 -8.892 0.00 0.00 O ATOM 184 C1* U A 13 174.796 105.922 -8.226 0.00 0.00 C ATOM 185 N1 U A 13 173.516 105.998 -8.983 0.00 0.00 N ATOM 186 C2 U A 13 173.227 104.918 -9.819 0.00 0.00 C ATOM 187 O2 U A 13 173.970 103.953 -9.963 0.00 0.00 O ATOM 188 N3 U A 13 172.044 104.960 -10.516 0.00 0.00 N ATOM 189 C4 U A 13 171.134 105.989 -10.500 0.00 0.00 C ATOM 190 O4 U A 13 170.164 105.949 -11.250 0.00 0.00 O ATOM 191 C5 U A 13 171.461 107.053 -9.574 0.00 0.00 C ATOM 192 C6 U A 13 172.620 107.044 -8.862 0.00 0.00 C ATOM 193 P U A 14 178.976 106.502 -6.496 0.00 0.00 P ATOM 194 O1P U A 14 180.014 105.621 -7.064 0.00 0.00 O ATOM 195 O2P U A 14 178.806 106.573 -5.024 0.00 0.00 O ATOM 196 O5* U A 14 179.235 108.019 -6.951 0.00 0.00 O ATOM 197 C5* U A 14 179.518 108.371 -8.299 0.00 0.00 C ATOM 198 C4* U A 14 179.640 109.892 -8.445 0.00 0.00 C ATOM 199 O4* U A 14 178.369 110.533 -8.353 0.00 0.00 O ATOM 200 C3* U A 14 180.560 110.518 -7.392 0.00 0.00 C ATOM 201 O3* U A 14 181.943 110.372 -7.726 0.00 0.00 O ATOM 202 C2* U A 14 180.023 111.948 -7.448 0.00 0.00 C ATOM 203 O2* U A 14 180.509 112.597 -8.612 0.00 0.00 O ATOM 204 C1* U A 14 178.509 111.752 -7.628 0.00 0.00 C ATOM 205 N1 U A 14 177.732 111.694 -6.348 0.00 0.00 N ATOM 206 C2 U A 14 177.257 112.893 -5.802 0.00 0.00 C ATOM 207 O2 U A 14 177.385 113.979 -6.361 0.00 0.00 O ATOM 208 N3 U A 14 176.553 112.805 -4.615 0.00 0.00 N ATOM 209 C4 U A 14 176.258 111.646 -3.927 0.00 0.00 C ATOM 210 O4 U A 14 175.696 111.665 -2.834 0.00 0.00 O ATOM 211 C5 U A 14 176.650 110.440 -4.626 0.00 0.00 C ATOM 212 C6 U A 14 177.345 110.491 -5.793 0.00 0.00 C ATOM 213 P G A 15 183.093 110.378 -6.603 0.00 0.00 P ATOM 214 O1P G A 15 184.428 110.517 -7.230 0.00 0.00 O ATOM 215 O2P G A 15 182.872 109.236 -5.683 0.00 0.00 O ATOM 216 O5* G A 15 182.838 111.740 -5.825 0.00 0.00 O ATOM 217 C5* G A 15 183.521 112.003 -4.623 0.00 0.00 C ATOM 218 C4* G A 15 183.528 113.499 -4.349 0.00 0.00 C ATOM 219 O4* G A 15 184.292 114.205 -5.322 0.00 0.00 O ATOM 220 C3* G A 15 182.132 114.106 -4.331 0.00 0.00 C ATOM 221 O3* G A 15 181.501 113.856 -3.082 0.00 0.00 O ATOM 222 C2* G A 15 182.537 115.561 -4.574 0.00 0.00 C ATOM 223 O2* G A 15 183.195 116.104 -3.440 0.00 0.00 O ATOM 224 C1* G A 15 183.645 115.439 -5.614 0.00 0.00 C ATOM 225 N9 G A 15 183.227 115.434 -7.033 0.00 0.00 N ATOM 226 C8 G A 15 183.348 114.409 -7.939 0.00 0.00 C ATOM 227 N7 G A 15 183.055 114.740 -9.164 0.00 0.00 N ATOM 228 C5 G A 15 182.700 116.083 -9.070 0.00 0.00 C ATOM 229 C6 G A 15 182.240 117.003 -10.069 0.00 0.00 C ATOM 230 O6 G A 15 182.056 116.832 -11.269 0.00 0.00 O ATOM 231 N1 G A 15 181.937 118.251 -9.567 0.00 0.00 N ATOM 232 C2 G A 15 182.097 118.610 -8.266 0.00 0.00 C ATOM 233 N2 G A 15 181.661 119.815 -7.957 0.00 0.00 N ATOM 234 N3 G A 15 182.546 117.790 -7.306 0.00 0.00 N ATOM 235 C4 G A 15 182.817 116.526 -7.768 0.00 0.00 C ATOM 236 P A A 16 179.992 113.316 -2.991 0.00 0.00 P ATOM 237 O1P A A 16 179.656 113.117 -1.562 0.00 0.00 O ATOM 238 O2P A A 16 179.823 112.202 -3.956 0.00 0.00 O ATOM 239 O5* A A 16 179.228 114.625 -3.521 0.00 0.00 O ATOM 240 C5* A A 16 179.097 115.748 -2.667 0.00 0.00 C ATOM 241 C4* A A 16 178.740 117.019 -3.426 0.00 0.00 C ATOM 242 O4* A A 16 179.726 117.389 -4.390 0.00 0.00 O ATOM 243 C3* A A 16 177.408 116.933 -4.154 0.00 0.00 C ATOM 244 O3* A A 16 176.317 117.127 -3.277 0.00 0.00 O ATOM 245 C2* A A 16 177.602 118.101 -5.112 0.00 0.00 C ATOM 246 O2* A A 16 177.513 119.334 -4.427 0.00 0.00 O ATOM 247 C1* A A 16 179.062 117.945 -5.525 0.00 0.00 C ATOM 248 N9 A A 16 179.186 117.082 -6.726 0.00 0.00 N ATOM 249 C8 A A 16 179.652 115.793 -6.821 0.00 0.00 C ATOM 250 N7 A A 16 179.684 115.310 -8.036 0.00 0.00 N ATOM 251 C5 A A 16 179.152 116.357 -8.797 0.00 0.00 C ATOM 252 C6 A A 16 178.854 116.516 -10.168 0.00 0.00 C ATOM 253 N6 A A 16 179.075 115.596 -11.092 0.00 0.00 N ATOM 254 N1 A A 16 178.314 117.658 -10.607 0.00 0.00 N ATOM 255 C2 A A 16 178.088 118.631 -9.734 0.00 0.00 C ATOM 256 N3 A A 16 178.322 118.638 -8.421 0.00 0.00 N ATOM 257 C4 A A 16 178.850 117.443 -8.012 0.00 0.00 C ATOM 258 P U A 17 174.885 116.510 -3.617 0.00 0.00 P ATOM 259 O1P U A 17 173.963 116.925 -2.537 0.00 0.00 O ATOM 260 O2P U A 17 175.102 115.074 -3.915 0.00 0.00 O ATOM 261 O5* U A 17 174.479 117.268 -4.982 0.00 0.00 O ATOM 262 C5* U A 17 174.149 118.646 -4.992 0.00 0.00 C ATOM 263 C4* U A 17 173.674 119.084 -6.376 0.00 0.00 C ATOM 264 O4* U A 17 174.665 118.905 -7.387 0.00 0.00 O ATOM 265 C3* U A 17 172.434 118.340 -6.861 0.00 0.00 C ATOM 266 O3* U A 17 171.256 118.771 -6.184 0.00 0.00 O ATOM 267 C2* U A 17 172.507 118.738 -8.338 0.00 0.00 C ATOM 268 O2* U A 17 172.106 120.092 -8.499 0.00 0.00 O ATOM 269 C1* U A 17 174.013 118.649 -8.631 0.00 0.00 C ATOM 270 N1 U A 17 174.444 117.344 -9.223 0.00 0.00 N ATOM 271 C2 U A 17 174.247 117.152 -10.598 0.00 0.00 C ATOM 272 O2 U A 17 173.612 117.938 -11.305 0.00 0.00 O ATOM 273 N3 U A 17 174.789 116.005 -11.151 0.00 0.00 N ATOM 274 C4 U A 17 175.484 115.024 -10.481 0.00 0.00 C ATOM 275 O4 U A 17 175.906 114.049 -11.095 0.00 0.00 O ATOM 276 C5 U A 17 175.613 115.267 -9.059 0.00 0.00 C ATOM 277 C6 U A 17 175.104 116.387 -8.479 0.00 0.00 C ATOM 278 P C A 18 169.968 117.811 -6.063 0.00 0.00 P ATOM 279 O1P C A 18 168.948 118.391 -5.161 0.00 0.00 O ATOM 280 O2P C A 18 170.436 116.426 -5.866 0.00 0.00 O ATOM 281 O5* C A 18 169.348 117.883 -7.519 0.00 0.00 O ATOM 282 C5* C A 18 168.664 119.010 -8.011 0.00 0.00 C ATOM 283 C4* C A 18 168.337 118.748 -9.482 0.00 0.00 C ATOM 284 O4* C A 18 169.539 118.608 -10.247 0.00 0.00 O ATOM 285 C3* C A 18 167.545 117.455 -9.712 0.00 0.00 C ATOM 286 O3* C A 18 166.147 117.505 -9.415 0.00 0.00 O ATOM 287 C2* C A 18 167.872 117.230 -11.189 0.00 0.00 C ATOM 288 O2* C A 18 167.129 118.125 -12.001 0.00 0.00 O ATOM 289 C1* C A 18 169.358 117.605 -11.246 0.00 0.00 C ATOM 290 N1 C A 18 170.254 116.414 -11.040 0.00 0.00 N ATOM 291 C2 C A 18 170.671 115.677 -12.161 0.00 0.00 C ATOM 292 O2 C A 18 170.279 115.958 -13.293 0.00 0.00 O ATOM 293 N3 C A 18 171.522 114.623 -12.022 0.00 0.00 N ATOM 294 C4 C A 18 171.955 114.295 -10.808 0.00 0.00 C ATOM 295 N4 C A 18 172.808 113.302 -10.700 0.00 0.00 N ATOM 296 C5 C A 18 171.565 115.005 -9.639 0.00 0.00 C ATOM 297 C6 C A 18 170.697 116.033 -9.793 0.00 0.00 C ATOM 298 P A A 19 165.378 116.139 -9.056 0.00 0.00 P ATOM 299 O1P A A 19 163.951 116.407 -8.756 0.00 0.00 O ATOM 300 O2P A A 19 166.200 115.475 -8.024 0.00 0.00 O ATOM 301 O5* A A 19 165.449 115.308 -10.435 0.00 0.00 O ATOM 302 C5* A A 19 164.734 115.753 -11.579 0.00 0.00 C ATOM 303 C4* A A 19 165.063 114.960 -12.847 0.00 0.00 C ATOM 304 O4* A A 19 166.446 115.028 -13.200 0.00 0.00 O ATOM 305 C3* A A 19 164.664 113.487 -12.827 0.00 0.00 C ATOM 306 O3* A A 19 163.270 113.335 -13.073 0.00 0.00 O ATOM 307 C2* A A 19 165.538 113.018 -13.996 0.00 0.00 C ATOM 308 O2* A A 19 164.998 113.472 -15.231 0.00 0.00 O ATOM 309 C1* A A 19 166.841 113.779 -13.753 0.00 0.00 C ATOM 310 N9 A A 19 167.759 113.083 -12.815 0.00 0.00 N ATOM 311 C8 A A 19 168.030 113.372 -11.498 0.00 0.00 C ATOM 312 N7 A A 19 168.985 112.656 -10.972 0.00 0.00 N ATOM 313 C5 A A 19 169.350 111.797 -12.011 0.00 0.00 C ATOM 314 C6 A A 19 170.286 110.745 -12.139 0.00 0.00 C ATOM 315 N6 A A 19 171.092 110.351 -11.168 0.00 0.00 N ATOM 316 N1 A A 19 170.378 110.055 -13.285 0.00 0.00 N ATOM 317 C2 A A 19 169.584 110.405 -14.291 0.00 0.00 C ATOM 318 N3 A A 19 168.672 111.373 -14.318 0.00 0.00 N ATOM 319 C4 A A 19 168.599 112.039 -13.131 0.00 0.00 C ATOM 320 P U A 20 162.482 111.969 -12.786 0.00 0.00 P ATOM 321 O1P U A 20 161.157 112.071 -13.452 0.00 0.00 O ATOM 322 O2P U A 20 162.588 111.671 -11.348 0.00 0.00 O ATOM 323 O5* U A 20 163.294 110.840 -13.576 0.00 0.00 O ATOM 324 C5* U A 20 163.116 110.641 -14.961 0.00 0.00 C ATOM 325 C4* U A 20 164.047 109.550 -15.481 0.00 0.00 C ATOM 326 O4* U A 20 165.414 109.864 -15.256 0.00 0.00 O ATOM 327 C3* U A 20 163.805 108.202 -14.823 0.00 0.00 C ATOM 328 O3* U A 20 162.651 107.571 -15.338 0.00 0.00 O ATOM 329 C2* U A 20 165.129 107.519 -15.178 0.00 0.00 C ATOM 330 O2* U A 20 165.229 107.123 -16.545 0.00 0.00 O ATOM 331 C1* U A 20 166.115 108.666 -14.947 0.00 0.00 C ATOM 332 N1 U A 20 166.632 108.659 -13.548 0.00 0.00 N ATOM 333 C2 U A 20 167.614 107.713 -13.233 0.00 0.00 C ATOM 334 O2 U A 20 167.969 106.826 -14.008 0.00 0.00 O ATOM 335 N3 U A 20 168.190 107.810 -11.982 0.00 0.00 N ATOM 336 C4 U A 20 167.887 108.751 -11.023 0.00 0.00 C ATOM 337 O4 U A 20 168.524 108.787 -9.980 0.00 0.00 O ATOM 338 C5 U A 20 166.804 109.636 -11.383 0.00 0.00 C ATOM 339 C6 U A 20 166.208 109.568 -12.600 0.00 0.00 C ATOM 340 P G A 21 161.862 106.442 -14.510 0.00 0.00 P ATOM 341 O1P G A 21 160.929 105.793 -15.450 0.00 0.00 O ATOM 342 O2P G A 21 161.372 106.981 -13.214 0.00 0.00 O ATOM 343 O5* G A 21 163.002 105.410 -14.082 0.00 0.00 O ATOM 344 C5* G A 21 163.553 104.458 -14.963 0.00 0.00 C ATOM 345 C4* G A 21 164.640 103.674 -14.212 0.00 0.00 C ATOM 346 O4* G A 21 165.722 104.501 -13.769 0.00 0.00 O ATOM 347 C3* G A 21 164.128 103.018 -12.935 0.00 0.00 C ATOM 348 O3* G A 21 163.260 101.919 -13.168 0.00 0.00 O ATOM 349 C2* G A 21 165.472 102.719 -12.253 0.00 0.00 C ATOM 350 O2* G A 21 166.249 101.708 -12.876 0.00 0.00 O ATOM 351 C1* G A 21 166.239 104.009 -12.528 0.00 0.00 C ATOM 352 N9 G A 21 166.058 104.984 -11.422 0.00 0.00 N ATOM 353 C8 G A 21 165.102 105.964 -11.332 0.00 0.00 C ATOM 354 N7 G A 21 165.167 106.680 -10.249 0.00 0.00 N ATOM 355 C5 G A 21 166.257 106.147 -9.553 0.00 0.00 C ATOM 356 C6 G A 21 166.845 106.531 -8.296 0.00 0.00 C ATOM 357 O6 G A 21 166.526 107.430 -7.525 0.00 0.00 O ATOM 358 N1 G A 21 167.928 105.756 -7.929 0.00 0.00 N ATOM 359 C2 G A 21 168.411 104.732 -8.693 0.00 0.00 C ATOM 360 N2 G A 21 169.475 104.122 -8.200 0.00 0.00 N ATOM 361 N3 G A 21 167.891 104.337 -9.872 0.00 0.00 N ATOM 362 C4 G A 21 166.808 105.094 -10.258 0.00 0.00 C ATOM 363 P G A 22 162.220 101.430 -12.034 0.00 0.00 P ATOM 364 O1P G A 22 161.147 100.634 -12.664 0.00 0.00 O ATOM 365 O2P G A 22 161.894 102.596 -11.177 0.00 0.00 O ATOM 366 O5* G A 22 163.176 100.434 -11.221 0.00 0.00 O ATOM 367 C5* G A 22 163.595 99.218 -11.816 0.00 0.00 C ATOM 368 C4* G A 22 164.802 98.649 -11.080 0.00 0.00 C ATOM 369 O4* G A 22 165.855 99.610 -10.989 0.00 0.00 O ATOM 370 C3* G A 22 164.512 98.173 -9.661 0.00 0.00 C ATOM 371 O3* G A 22 163.872 96.903 -9.630 0.00 0.00 O ATOM 372 C2* G A 22 165.955 98.139 -9.154 0.00 0.00 C ATOM 373 O2* G A 22 166.638 97.027 -9.707 0.00 0.00 O ATOM 374 C1* G A 22 166.543 99.415 -9.759 0.00 0.00 C ATOM 375 N9 G A 22 166.361 100.584 -8.856 0.00 0.00 N ATOM 376 C8 G A 22 165.348 101.510 -8.828 0.00 0.00 C ATOM 377 N7 G A 22 165.527 102.478 -7.972 0.00 0.00 N ATOM 378 C5 G A 22 166.717 102.143 -7.325 0.00 0.00 C ATOM 379 C6 G A 22 167.430 102.777 -6.244 0.00 0.00 C ATOM 380 O6 G A 22 167.194 103.824 -5.649 0.00 0.00 O ATOM 381 N1 G A 22 168.559 102.085 -5.847 0.00 0.00 N ATOM 382 C2 G A 22 168.992 100.949 -6.460 0.00 0.00 C ATOM 383 N2 G A 22 170.126 100.433 -6.056 0.00 0.00 N ATOM 384 N3 G A 22 168.368 100.340 -7.470 0.00 0.00 N ATOM 385 C4 G A 22 167.226 100.978 -7.857 0.00 0.00 C ATOM 386 P C A 23 163.064 96.418 -8.335 0.00 0.00 P ATOM 387 O1P C A 23 162.576 95.045 -8.597 0.00 0.00 O ATOM 388 O2P C A 23 162.121 97.508 -7.993 0.00 0.00 O ATOM 389 O5* C A 23 164.160 96.324 -7.156 0.00 0.00 O ATOM 390 C5* C A 23 165.235 95.400 -7.140 0.00 0.00 C ATOM 391 C4* C A 23 166.225 95.728 -6.002 0.00 0.00 C ATOM 392 O4* C A 23 166.909 96.971 -6.158 0.00 0.00 O ATOM 393 C3* C A 23 165.567 95.778 -4.631 0.00 0.00 C ATOM 394 O3* C A 23 165.280 94.462 -4.185 0.00 0.00 O ATOM 395 C2* C A 23 166.652 96.550 -3.856 0.00 0.00 C ATOM 396 O2* C A 23 167.808 95.767 -3.580 0.00 0.00 O ATOM 397 C1* C A 23 167.050 97.612 -4.887 0.00 0.00 C ATOM 398 N1 C A 23 166.198 98.841 -4.808 0.00 0.00 N ATOM 399 C2 C A 23 166.498 99.855 -3.879 0.00 0.00 C ATOM 400 O2 C A 23 167.371 99.709 -3.020 0.00 0.00 O ATOM 401 N3 C A 23 165.800 101.027 -3.898 0.00 0.00 N ATOM 402 C4 C A 23 164.830 101.189 -4.798 0.00 0.00 C ATOM 403 N4 C A 23 164.183 102.326 -4.838 0.00 0.00 N ATOM 404 C5 C A 23 164.455 100.164 -5.707 0.00 0.00 C ATOM 405 C6 C A 23 165.153 99.014 -5.681 0.00 0.00 C ATOM 406 P U A 24 164.193 94.175 -3.051 0.00 0.00 P ATOM 407 O1P U A 24 164.275 92.750 -2.690 0.00 0.00 O ATOM 408 O2P U A 24 162.877 94.680 -3.496 0.00 0.00 O ATOM 409 O5* U A 24 164.635 95.068 -1.804 0.00 0.00 O ATOM 410 C5* U A 24 165.746 94.727 -0.994 0.00 0.00 C ATOM 411 C4* U A 24 165.930 95.767 0.111 0.00 0.00 C ATOM 412 O4* U A 24 166.316 97.041 -0.409 0.00 0.00 O ATOM 413 C3* U A 24 164.653 96.016 0.914 0.00 0.00 C ATOM 414 O3* U A 24 164.283 94.959 1.800 0.00 0.00 O ATOM 415 C2* U A 24 165.064 97.331 1.576 0.00 0.00 C ATOM 416 O2* U A 24 166.029 97.124 2.602 0.00 0.00 O ATOM 417 C1* U A 24 165.730 98.061 0.398 0.00 0.00 C ATOM 418 N1 U A 24 164.762 98.907 -0.375 0.00 0.00 N ATOM 419 C2 U A 24 164.456 100.172 0.138 0.00 0.00 C ATOM 420 O2 U A 24 164.868 100.580 1.220 0.00 0.00 O ATOM 421 N3 U A 24 163.636 100.976 -0.628 0.00 0.00 N ATOM 422 C4 U A 24 163.067 100.656 -1.833 0.00 0.00 C ATOM 423 O4 U A 24 162.348 101.474 -2.396 0.00 0.00 O ATOM 424 C5 U A 24 163.389 99.317 -2.289 0.00 0.00 C ATOM 425 C6 U A 24 164.204 98.496 -1.570 0.00 0.00 C ATOM 426 P C A 25 162.780 94.859 2.372 0.00 0.00 P ATOM 427 O1P C A 25 162.578 93.589 3.119 0.00 0.00 O ATOM 428 O2P C A 25 161.859 95.171 1.253 0.00 0.00 O ATOM 429 O5* C A 25 162.737 96.080 3.418 0.00 0.00 O ATOM 430 C5* C A 25 163.596 96.174 4.548 0.00 0.00 C ATOM 431 C4* C A 25 163.415 97.525 5.267 0.00 0.00 C ATOM 432 O4* C A 25 163.724 98.657 4.443 0.00 0.00 O ATOM 433 C3* C A 25 161.985 97.728 5.764 0.00 0.00 C ATOM 434 O3* C A 25 161.717 96.972 6.941 0.00 0.00 O ATOM 435 C2* C A 25 161.975 99.254 5.933 0.00 0.00 C ATOM 436 O2* C A 25 162.691 99.704 7.074 0.00 0.00 O ATOM 437 C1* C A 25 162.802 99.718 4.729 0.00 0.00 C ATOM 438 N1 C A 25 161.965 100.050 3.534 0.00 0.00 N ATOM 439 C2 C A 25 161.446 101.352 3.378 0.00 0.00 C ATOM 440 O2 C A 25 161.612 102.238 4.219 0.00 0.00 O ATOM 441 N3 C A 25 160.732 101.662 2.261 0.00 0.00 N ATOM 442 C4 C A 25 160.563 100.741 1.319 0.00 0.00 C ATOM 443 N4 C A 25 159.875 101.092 0.265 0.00 0.00 N ATOM 444 C5 C A 25 161.073 99.416 1.425 0.00 0.00 C ATOM 445 C6 C A 25 161.751 99.109 2.553 0.00 0.00 C ATOM 446 P A A 26 160.214 96.585 7.373 0.00 0.00 P ATOM 447 O1P A A 26 160.282 95.672 8.538 0.00 0.00 O ATOM 448 O2P A A 26 159.492 96.171 6.150 0.00 0.00 O ATOM 449 O5* A A 26 159.616 97.995 7.868 0.00 0.00 O ATOM 450 C5* A A 26 160.072 98.594 9.072 0.00 0.00 C ATOM 451 C4* A A 26 159.468 99.988 9.282 0.00 0.00 C ATOM 452 O4* A A 26 159.782 100.812 8.171 0.00 0.00 O ATOM 453 C3* A A 26 157.949 99.974 9.459 0.00 0.00 C ATOM 454 O3* A A 26 157.562 99.830 10.824 0.00 0.00 O ATOM 455 C2* A A 26 157.549 101.341 8.886 0.00 0.00 C ATOM 456 O2* A A 26 157.517 102.402 9.833 0.00 0.00 O ATOM 457 C1* A A 26 158.674 101.646 7.894 0.00 0.00 C ATOM 458 N9 A A 26 158.226 101.437 6.507 0.00 0.00 N ATOM 459 C8 A A 26 158.178 100.282 5.761 0.00 0.00 C ATOM 460 N7 A A 26 157.731 100.445 4.543 0.00 0.00 N ATOM 461 C5 A A 26 157.471 101.821 4.503 0.00 0.00 C ATOM 462 C6 A A 26 156.991 102.700 3.519 0.00 0.00 C ATOM 463 N6 A A 26 156.724 102.331 2.294 0.00 0.00 N ATOM 464 N1 A A 26 156.798 103.995 3.771 0.00 0.00 N ATOM 465 C2 A A 26 157.102 104.440 4.981 0.00 0.00 C ATOM 466 N3 A A 26 157.583 103.746 6.013 0.00 0.00 N ATOM 467 C4 A A 26 157.747 102.429 5.695 0.00 0.00 C ATOM 468 P G A 27 156.417 98.807 11.278 0.00 0.00 P ATOM 469 O1P G A 27 156.042 99.101 12.688 0.00 0.00 O ATOM 470 O2P G A 27 156.882 97.442 10.962 0.00 0.00 O ATOM 471 O5* G A 27 155.162 99.134 10.345 0.00 0.00 O ATOM 472 C5* G A 27 154.405 100.314 10.523 0.00 0.00 C ATOM 473 C4* G A 27 153.089 100.232 9.754 0.00 0.00 C ATOM 474 O4* G A 27 153.290 100.268 8.349 0.00 0.00 O ATOM 475 C3* G A 27 152.306 98.958 10.071 0.00 0.00 C ATOM 476 O3* G A 27 151.712 99.041 11.368 0.00 0.00 O ATOM 477 C2* G A 27 151.365 98.970 8.860 0.00 0.00 C ATOM 478 O2* G A 27 150.301 99.898 9.017 0.00 0.00 O ATOM 479 C1* G A 27 152.283 99.476 7.738 0.00 0.00 C ATOM 480 N9 G A 27 152.939 98.368 7.005 0.00 0.00 N ATOM 481 C8 G A 27 154.219 97.889 7.133 0.00 0.00 C ATOM 482 N7 G A 27 154.508 96.905 6.327 0.00 0.00 N ATOM 483 C5 G A 27 153.326 96.701 5.613 0.00 0.00 C ATOM 484 C6 G A 27 152.989 95.749 4.589 0.00 0.00 C ATOM 485 O6 G A 27 153.664 94.844 4.099 0.00 0.00 O ATOM 486 N1 G A 27 151.705 95.914 4.105 0.00 0.00 N ATOM 487 C2 G A 27 150.842 96.876 4.543 0.00 0.00 C ATOM 488 N2 G A 27 149.651 96.888 4.000 0.00 0.00 N ATOM 489 N3 G A 27 151.113 97.762 5.503 0.00 0.00 N ATOM 490 C4 G A 27 152.374 97.621 6.001 0.00 0.00 C ATOM 491 P A A 28 151.137 97.760 12.124 0.00 0.00 P ATOM 492 O1P A A 28 150.442 98.204 13.347 0.00 0.00 O ATOM 493 O2P A A 28 152.236 96.817 12.384 0.00 0.00 O ATOM 494 O5* A A 28 150.067 97.028 11.198 0.00 0.00 O ATOM 495 C5* A A 28 148.805 97.627 10.968 0.00 0.00 C ATOM 496 C4* A A 28 148.088 97.054 9.751 0.00 0.00 C ATOM 497 O4* A A 28 148.820 97.248 8.541 0.00 0.00 O ATOM 498 C3* A A 28 147.763 95.564 9.779 0.00 0.00 C ATOM 499 O3* A A 28 146.689 95.193 10.622 0.00 0.00 O ATOM 500 C2* A A 28 147.418 95.416 8.298 0.00 0.00 C ATOM 501 O2* A A 28 146.314 96.211 7.905 0.00 0.00 O ATOM 502 C1* A A 28 148.575 96.153 7.658 0.00 0.00 C ATOM 503 N9 A A 28 149.767 95.288 7.525 0.00 0.00 N ATOM 504 C8 A A 28 150.933 95.342 8.247 0.00 0.00 C ATOM 505 N7 A A 28 151.870 94.549 7.816 0.00 0.00 N ATOM 506 C5 A A 28 151.251 93.882 6.756 0.00 0.00 C ATOM 507 C6 A A 28 151.671 92.877 5.864 0.00 0.00 C ATOM 508 N6 A A 28 152.905 92.410 5.863 0.00 0.00 N ATOM 509 N1 A A 28 150.816 92.336 4.984 0.00 0.00 N ATOM 510 C2 A A 28 149.587 92.841 4.935 0.00 0.00 C ATOM 511 N3 A A 28 149.063 93.813 5.680 0.00 0.00 N ATOM 512 C4 A A 28 149.956 94.292 6.593 0.00 0.00 C ATOM 513 P U A 29 146.789 93.853 11.500 0.00 0.00 P ATOM 514 O1P U A 29 145.528 93.785 12.267 0.00 0.00 O ATOM 515 O2P U A 29 148.110 93.872 12.187 0.00 0.00 O ATOM 516 O5* U A 29 146.748 92.708 10.356 0.00 0.00 O ATOM 517 C5* U A 29 145.543 92.439 9.645 0.00 0.00 C ATOM 518 C4* U A 29 145.692 91.381 8.544 0.00 0.00 C ATOM 519 O4* U A 29 146.731 91.741 7.643 0.00 0.00 O ATOM 520 C3* U A 29 146.001 89.971 9.044 0.00 0.00 C ATOM 521 O3* U A 29 144.850 89.275 9.501 0.00 0.00 O ATOM 522 C2* U A 29 146.585 89.365 7.766 0.00 0.00 C ATOM 523 O2* U A 29 145.581 88.962 6.844 0.00 0.00 O ATOM 524 C1* U A 29 147.336 90.553 7.147 0.00 0.00 C ATOM 525 N1 U A 29 148.798 90.499 7.445 0.00 0.00 N ATOM 526 C2 U A 29 149.576 89.606 6.703 0.00 0.00 C ATOM 527 O2 U A 29 149.114 88.873 5.833 0.00 0.00 O ATOM 528 N3 U A 29 150.925 89.556 6.996 0.00 0.00 N ATOM 529 C4 U A 29 151.585 90.314 7.935 0.00 0.00 C ATOM 530 O4 U A 29 152.794 90.163 8.105 0.00 0.00 O ATOM 531 C5 U A 29 150.723 91.233 8.653 0.00 0.00 C ATOM 532 C6 U A 29 149.386 91.300 8.403 0.00 0.00 C ATOM 533 P U A 30 144.968 87.966 10.434 0.00 0.00 P ATOM 534 O1P U A 30 143.588 87.557 10.786 0.00 0.00 O ATOM 535 O2P U A 30 145.942 88.281 11.500 0.00 0.00 O ATOM 536 O5* U A 30 145.645 86.808 9.534 0.00 0.00 O ATOM 537 C5* U A 30 144.943 86.076 8.536 0.00 0.00 C ATOM 538 C4* U A 30 145.874 85.016 7.916 0.00 0.00 C ATOM 539 O4* U A 30 147.086 85.638 7.514 0.00 0.00 O ATOM 540 C3* U A 30 146.253 83.911 8.914 0.00 0.00 C ATOM 541 O3* U A 30 145.379 82.795 9.051 0.00 0.00 O ATOM 542 C2* U A 30 147.708 83.555 8.584 0.00 0.00 C ATOM 543 O2* U A 30 147.913 82.374 7.821 0.00 0.00 O ATOM 544 C1* U A 30 148.176 84.764 7.763 0.00 0.00 C ATOM 545 N1 U A 30 149.289 85.474 8.448 0.00 0.00 N ATOM 546 C2 U A 30 150.585 85.039 8.175 0.00 0.00 C ATOM 547 O2 U A 30 150.830 84.081 7.444 0.00 0.00 O ATOM 548 N3 U A 30 151.612 85.732 8.779 0.00 0.00 N ATOM 549 C4 U A 30 151.479 86.758 9.687 0.00 0.00 C ATOM 550 O4 U A 30 152.471 87.228 10.242 0.00 0.00 O ATOM 551 C5 U A 30 150.106 87.151 9.935 0.00 0.00 C ATOM 552 C6 U A 30 149.069 86.508 9.334 0.00 0.00 C ATOM 553 P G A 31 144.437 82.189 7.885 0.00 0.00 P ATOM 554 O1P G A 31 145.187 82.058 6.620 0.00 0.00 O ATOM 555 O2P G A 31 143.152 82.923 7.907 0.00 0.00 O ATOM 556 O5* G A 31 144.226 80.721 8.497 0.00 0.00 O ATOM 557 C5* G A 31 143.450 80.533 9.667 0.00 0.00 C ATOM 558 C4* G A 31 143.807 79.221 10.378 0.00 0.00 C ATOM 559 O4* G A 31 143.482 78.133 9.527 0.00 0.00 O ATOM 560 C3* G A 31 145.299 79.131 10.736 0.00 0.00 C ATOM 561 O3* G A 31 145.478 78.494 11.990 0.00 0.00 O ATOM 562 C2* G A 31 145.868 78.305 9.581 0.00 0.00 C ATOM 563 O2* G A 31 146.961 77.466 9.927 0.00 0.00 O ATOM 564 C1* G A 31 144.674 77.457 9.167 0.00 0.00 C ATOM 565 N9 G A 31 144.658 77.104 7.730 0.00 0.00 N ATOM 566 C8 G A 31 145.012 77.830 6.618 0.00 0.00 C ATOM 567 N7 G A 31 144.853 77.189 5.490 0.00 0.00 N ATOM 568 C5 G A 31 144.351 75.942 5.877 0.00 0.00 C ATOM 569 C6 G A 31 143.944 74.786 5.119 0.00 0.00 C ATOM 570 O6 G A 31 143.943 74.607 3.902 0.00 0.00 O ATOM 571 N1 G A 31 143.502 73.738 5.918 0.00 0.00 N ATOM 572 C2 G A 31 143.478 73.789 7.284 0.00 0.00 C ATOM 573 N2 G A 31 143.155 72.693 7.920 0.00 0.00 N ATOM 574 N3 G A 31 143.848 74.837 8.012 0.00 0.00 N ATOM 575 C4 G A 31 144.260 75.886 7.250 0.00 0.00 C ATOM 576 P A A 32 146.008 79.337 13.248 0.00 0.00 P ATOM 577 O1P A A 32 146.211 78.407 14.378 0.00 0.00 O ATOM 578 O2P A A 32 145.127 80.508 13.433 0.00 0.00 O ATOM 579 O5* A A 32 147.441 79.908 12.759 0.00 0.00 O ATOM 580 C5* A A 32 148.689 79.404 13.206 0.00 0.00 C ATOM 581 C4* A A 32 149.489 78.792 12.049 0.00 0.00 C ATOM 582 O4* A A 32 149.688 79.704 10.963 0.00 0.00 O ATOM 583 C3* A A 32 150.879 78.363 12.525 0.00 0.00 C ATOM 584 O3* A A 32 150.855 77.074 13.146 0.00 0.00 O ATOM 585 C2* A A 32 151.656 78.457 11.200 0.00 0.00 C ATOM 586 O2* A A 32 151.352 77.395 10.302 0.00 0.00 O ATOM 587 C1* A A 32 151.056 79.715 10.567 0.00 0.00 C ATOM 588 N9 A A 32 151.653 81.015 10.974 0.00 0.00 N ATOM 589 C8 A A 32 151.004 82.059 11.595 0.00 0.00 C ATOM 590 N7 A A 32 151.688 83.164 11.677 0.00 0.00 N ATOM 591 C5 A A 32 152.893 82.821 11.064 0.00 0.00 C ATOM 592 C6 A A 32 154.076 83.541 10.818 0.00 0.00 C ATOM 593 N6 A A 32 154.220 84.799 11.201 0.00 0.00 N ATOM 594 N1 A A 32 155.113 82.965 10.195 0.00 0.00 N ATOM 595 C2 A A 32 154.970 81.698 9.809 0.00 0.00 C ATOM 596 N3 A A 32 153.915 80.894 9.975 0.00 0.00 N ATOM 597 C4 A A 32 152.892 81.522 10.626 0.00 0.00 C ATOM 598 P A A 33 151.553 76.772 14.576 0.00 0.00 P ATOM 599 O1P A A 33 151.000 75.559 15.205 0.00 0.00 O ATOM 600 O2P A A 33 151.529 78.000 15.400 0.00 0.00 O ATOM 601 O5* A A 33 153.089 76.485 14.240 0.00 0.00 O ATOM 602 C5* A A 33 153.508 75.414 13.414 0.00 0.00 C ATOM 603 C4* A A 33 154.857 75.776 12.775 0.00 0.00 C ATOM 604 O4* A A 33 154.694 76.925 11.952 0.00 0.00 O ATOM 605 C3* A A 33 155.950 76.111 13.791 0.00 0.00 C ATOM 606 O3* A A 33 156.585 74.945 14.313 0.00 0.00 O ATOM 607 C2* A A 33 156.849 77.044 12.969 0.00 0.00 C ATOM 608 O2* A A 33 157.756 76.371 12.107 0.00 0.00 O ATOM 609 C1* A A 33 155.808 77.786 12.122 0.00 0.00 C ATOM 610 N9 A A 33 155.353 79.039 12.771 0.00 0.00 N ATOM 611 C8 A A 33 154.170 79.316 13.421 0.00 0.00 C ATOM 612 N7 A A 33 154.033 80.556 13.797 0.00 0.00 N ATOM 613 C5 A A 33 155.229 81.137 13.379 0.00 0.00 C ATOM 614 C6 A A 33 155.756 82.439 13.462 0.00 0.00 C ATOM 615 N6 A A 33 155.097 83.439 14.025 0.00 0.00 N ATOM 616 N1 A A 33 156.974 82.711 12.969 0.00 0.00 N ATOM 617 C2 A A 33 157.653 81.717 12.404 0.00 0.00 C ATOM 618 N3 A A 33 157.283 80.448 12.250 0.00 0.00 N ATOM 619 C4 A A 33 156.044 80.224 12.767 0.00 0.00 C ATOM 620 P C A 34 157.043 74.875 15.857 0.00 0.00 P ATOM 621 O1P C A 34 157.383 73.474 16.199 0.00 0.00 O ATOM 622 O2P C A 34 156.033 75.559 16.689 0.00 0.00 O ATOM 623 O5* C A 34 158.364 75.791 15.861 0.00 0.00 O ATOM 624 C5* C A 34 159.530 75.479 15.114 0.00 0.00 C ATOM 625 C4* C A 34 160.543 76.637 15.157 0.00 0.00 C ATOM 626 O4* C A 34 160.126 77.785 14.411 0.00 0.00 O ATOM 627 C3* C A 34 160.815 77.135 16.572 0.00 0.00 C ATOM 628 O3* C A 34 161.640 76.238 17.296 0.00 0.00 O ATOM 629 C2* C A 34 161.418 78.510 16.260 0.00 0.00 C ATOM 630 O2* C A 34 162.742 78.443 15.754 0.00 0.00 O ATOM 631 C1* C A 34 160.515 78.974 15.111 0.00 0.00 C ATOM 632 N1 C A 34 159.319 79.737 15.597 0.00 0.00 N ATOM 633 C2 C A 34 159.419 81.119 15.860 0.00 0.00 C ATOM 634 O2 C A 34 160.502 81.711 15.808 0.00 0.00 O ATOM 635 N3 C A 34 158.301 81.829 16.187 0.00 0.00 N ATOM 636 C4 C A 34 157.135 81.195 16.293 0.00 0.00 C ATOM 637 N4 C A 34 156.064 81.891 16.595 0.00 0.00 N ATOM 638 C5 C A 34 156.989 79.800 16.055 0.00 0.00 C ATOM 639 C6 C A 34 158.103 79.109 15.728 0.00 0.00 C ATOM 640 P G A 35 161.650 76.232 18.896 0.00 0.00 P ATOM 641 O1P G A 35 162.532 75.149 19.366 0.00 0.00 O ATOM 642 O2P G A 35 160.248 76.287 19.374 0.00 0.00 O ATOM 643 O5* G A 35 162.317 77.634 19.237 0.00 0.00 O ATOM 644 C5* G A 35 163.695 77.859 19.024 0.00 0.00 C ATOM 645 C4* G A 35 164.047 79.264 19.496 0.00 0.00 C ATOM 646 O4* G A 35 163.458 80.269 18.675 0.00 0.00 O ATOM 647 C3* G A 35 163.603 79.521 20.942 0.00 0.00 C ATOM 648 O3* G A 35 164.493 78.860 21.844 0.00 0.00 O ATOM 649 C2* G A 35 163.661 81.052 20.908 0.00 0.00 C ATOM 650 O2* G A 35 165.016 81.422 21.046 0.00 0.00 O ATOM 651 C1* G A 35 163.095 81.358 19.511 0.00 0.00 C ATOM 652 N9 G A 35 161.609 81.485 19.520 0.00 0.00 N ATOM 653 C8 G A 35 160.642 80.536 19.293 0.00 0.00 C ATOM 654 N7 G A 35 159.418 80.990 19.310 0.00 0.00 N ATOM 655 C5 G A 35 159.566 82.353 19.589 0.00 0.00 C ATOM 656 C6 G A 35 158.601 83.411 19.789 0.00 0.00 C ATOM 657 O6 G A 35 157.376 83.403 19.683 0.00 0.00 O ATOM 658 N1 G A 35 159.179 84.601 20.183 0.00 0.00 N ATOM 659 C2 G A 35 160.522 84.767 20.328 0.00 0.00 C ATOM 660 N2 G A 35 160.951 85.934 20.702 0.00 0.00 N ATOM 661 N3 G A 35 161.445 83.835 20.115 0.00 0.00 N ATOM 662 C4 G A 35 160.906 82.641 19.757 0.00 0.00 C ATOM 663 P C A 36 164.100 78.513 23.359 0.00 0.00 P ATOM 664 O1P C A 36 165.094 77.601 23.957 0.00 0.00 O ATOM 665 O2P C A 36 162.674 78.111 23.395 0.00 0.00 O ATOM 666 O5* C A 36 164.168 79.882 24.165 0.00 0.00 O ATOM 667 C5* C A 36 165.317 80.700 24.270 0.00 0.00 C ATOM 668 C4* C A 36 164.866 82.101 24.712 0.00 0.00 C ATOM 669 O4* C A 36 164.150 82.804 23.686 0.00 0.00 O ATOM 670 C3* C A 36 163.911 82.109 25.911 0.00 0.00 C ATOM 671 O3* C A 36 164.481 81.849 27.178 0.00 0.00 O ATOM 672 C2* C A 36 163.397 83.536 25.765 0.00 0.00 C ATOM 673 O2* C A 36 164.422 84.490 25.962 0.00 0.00 O ATOM 674 C1* C A 36 163.105 83.589 24.275 0.00 0.00 C ATOM 675 N1 C A 36 161.752 83.045 23.938 0.00 0.00 N ATOM 676 C2 C A 36 160.629 83.891 23.920 0.00 0.00 C ATOM 677 O2 C A 36 160.653 85.041 24.371 0.00 0.00 O ATOM 678 N3 C A 36 159.460 83.432 23.392 0.00 0.00 N ATOM 679 C4 C A 36 159.400 82.197 22.898 0.00 0.00 C ATOM 680 N4 C A 36 158.284 81.778 22.361 0.00 0.00 N ATOM 681 C5 C A 36 160.486 81.286 22.953 0.00 0.00 C ATOM 682 C6 C A 36 161.625 81.744 23.514 0.00 0.00 C ATOM 683 P U A 37 163.680 80.967 28.251 0.00 0.00 P ATOM 684 O1P U A 37 164.530 80.894 29.456 0.00 0.00 O ATOM 685 O2P U A 37 163.232 79.723 27.581 0.00 0.00 O ATOM 686 O5* U A 37 162.383 81.860 28.580 0.00 0.00 O ATOM 687 C5* U A 37 162.490 83.057 29.332 0.00 0.00 C ATOM 688 C4* U A 37 161.146 83.775 29.466 0.00 0.00 C ATOM 689 O4* U A 37 160.663 84.190 28.191 0.00 0.00 O ATOM 690 C3* U A 37 160.043 82.940 30.131 0.00 0.00 C ATOM 691 O3* U A 37 160.133 82.900 31.563 0.00 0.00 O ATOM 692 C2* U A 37 158.840 83.740 29.623 0.00 0.00 C ATOM 693 O2* U A 37 158.704 84.909 30.403 0.00 0.00 O ATOM 694 C1* U A 37 159.242 84.138 28.194 0.00 0.00 C ATOM 695 N1 U A 37 158.739 83.148 27.196 0.00 0.00 N ATOM 696 C2 U A 37 157.412 83.254 26.756 0.00 0.00 C ATOM 697 O2 U A 37 156.662 84.175 27.076 0.00 0.00 O ATOM 698 N3 U A 37 156.943 82.245 25.934 0.00 0.00 N ATOM 699 C4 U A 37 157.665 81.141 25.522 0.00 0.00 C ATOM 700 O4 U A 37 157.151 80.269 24.831 0.00 0.00 O ATOM 701 C5 U A 37 159.045 81.132 25.964 0.00 0.00 C ATOM 702 C6 U A 37 159.537 82.111 26.761 0.00 0.00 C ATOM 703 P G A 38 159.232 81.904 32.451 0.00 0.00 P ATOM 704 O1P G A 38 159.431 82.191 33.906 0.00 0.00 O ATOM 705 O2P G A 38 159.540 80.518 32.043 0.00 0.00 O ATOM 706 O5* G A 38 157.692 82.141 32.092 0.00 0.00 O ATOM 707 C5* G A 38 156.956 83.237 32.600 0.00 0.00 C ATOM 708 C4* G A 38 155.536 83.235 32.019 0.00 0.00 C ATOM 709 O4* G A 38 155.559 83.339 30.603 0.00 0.00 O ATOM 710 C3* G A 38 154.753 81.964 32.362 0.00 0.00 C ATOM 711 O3* G A 38 154.344 81.976 33.733 0.00 0.00 O ATOM 712 C2* G A 38 153.659 82.051 31.281 0.00 0.00 C ATOM 713 O2* G A 38 152.578 82.915 31.584 0.00 0.00 O ATOM 714 C1* G A 38 154.421 82.666 30.092 0.00 0.00 C ATOM 715 N9 G A 38 154.843 81.602 29.161 0.00 0.00 N ATOM 716 C8 G A 38 156.057 80.971 29.060 0.00 0.00 C ATOM 717 N7 G A 38 156.070 79.969 28.223 0.00 0.00 N ATOM 718 C5 G A 38 154.767 79.940 27.720 0.00 0.00 C ATOM 719 C6 G A 38 154.112 79.019 26.832 0.00 0.00 C ATOM 720 O6 G A 38 154.545 77.994 26.310 0.00 0.00 O ATOM 721 N1 G A 38 152.774 79.315 26.629 0.00 0.00 N ATOM 722 C2 G A 38 152.128 80.364 27.219 0.00 0.00 C ATOM 723 N2 G A 38 150.822 80.430 27.075 0.00 0.00 N ATOM 724 N3 G A 38 152.674 81.170 28.123 0.00 0.00 N ATOM 725 C4 G A 38 154.009 80.936 28.300 0.00 0.00 C ATOM 726 P G A 39 154.048 80.658 34.640 0.00 0.00 P ATOM 727 O1P G A 39 154.935 80.682 35.840 0.00 0.00 O ATOM 728 O2P G A 39 153.946 79.410 33.825 0.00 0.00 O ATOM 729 O5* G A 39 152.584 80.988 35.202 0.00 0.00 O ATOM 730 C5* G A 39 151.441 81.079 34.369 0.00 0.00 C ATOM 731 C4* G A 39 150.335 81.722 35.205 0.00 0.00 C ATOM 732 O4* G A 39 150.551 83.128 35.303 0.00 0.00 O ATOM 733 C3* G A 39 148.926 81.550 34.641 0.00 0.00 C ATOM 734 O3* G A 39 148.330 80.292 34.919 0.00 0.00 O ATOM 735 C2* G A 39 148.236 82.711 35.363 0.00 0.00 C ATOM 736 O2* G A 39 148.002 82.490 36.756 0.00 0.00 O ATOM 737 C1* G A 39 149.299 83.795 35.237 0.00 0.00 C ATOM 738 N9 G A 39 149.127 84.541 33.970 0.00 0.00 N ATOM 739 C8 G A 39 149.837 84.481 32.801 0.00 0.00 C ATOM 740 N7 G A 39 149.380 85.264 31.856 0.00 0.00 N ATOM 741 C5 G A 39 148.325 85.950 32.471 0.00 0.00 C ATOM 742 C6 G A 39 147.494 87.045 32.033 0.00 0.00 C ATOM 743 O6 G A 39 147.521 87.677 30.978 0.00 0.00 O ATOM 744 N1 G A 39 146.547 87.417 32.976 0.00 0.00 N ATOM 745 C2 G A 39 146.436 86.840 34.210 0.00 0.00 C ATOM 746 N2 G A 39 145.446 87.190 34.992 0.00 0.00 N ATOM 747 N3 G A 39 147.248 85.901 34.680 0.00 0.00 N ATOM 748 C4 G A 39 148.166 85.493 33.761 0.00 0.00 C ATOM 749 P C A 40 147.090 79.757 34.050 0.00 0.00 P ATOM 750 O1P C A 40 146.667 78.478 34.677 0.00 0.00 O ATOM 751 O2P C A 40 147.460 79.791 32.623 0.00 0.00 O ATOM 752 O5* C A 40 145.919 80.825 34.310 0.00 0.00 O ATOM 753 C5* C A 40 145.217 80.871 35.542 0.00 0.00 C ATOM 754 C4* C A 40 144.049 81.857 35.483 0.00 0.00 C ATOM 755 O4* C A 40 144.450 83.209 35.287 0.00 0.00 O ATOM 756 C3* C A 40 143.076 81.523 34.356 0.00 0.00 C ATOM 757 O3* C A 40 142.326 80.345 34.654 0.00 0.00 O ATOM 758 C2* C A 40 142.310 82.852 34.332 0.00 0.00 C ATOM 759 O2* C A 40 141.423 82.982 35.433 0.00 0.00 O ATOM 760 C1* C A 40 143.441 83.875 34.520 0.00 0.00 C ATOM 761 N1 C A 40 143.980 84.360 33.211 0.00 0.00 N ATOM 762 C2 C A 40 143.280 85.349 32.492 0.00 0.00 C ATOM 763 O2 C A 40 142.197 85.795 32.881 0.00 0.00 O ATOM 764 N3 C A 40 143.792 85.829 31.328 0.00 0.00 N ATOM 765 C4 C A 40 144.944 85.347 30.875 0.00 0.00 C ATOM 766 N4 C A 40 145.451 85.878 29.790 0.00 0.00 N ATOM 767 C5 C A 40 145.679 84.337 31.559 0.00 0.00 C ATOM 768 C6 C A 40 145.166 83.870 32.719 0.00 0.00 C ATOM 769 P G A 41 141.604 79.464 33.530 0.00 0.00 P ATOM 770 O1P G A 41 141.054 78.244 34.194 0.00 0.00 O ATOM 771 O2P G A 41 142.587 79.223 32.439 0.00 0.00 O ATOM 772 O5* G A 41 140.439 80.417 32.969 0.00 0.00 O ATOM 773 C5* G A 41 139.376 80.871 33.799 0.00 0.00 C ATOM 774 C4* G A 41 138.609 82.049 33.177 0.00 0.00 C ATOM 775 O4* G A 41 139.436 83.186 32.981 0.00 0.00 O ATOM 776 C3* G A 41 137.990 81.716 31.829 0.00 0.00 C ATOM 777 O3* G A 41 136.799 80.971 32.008 0.00 0.00 O ATOM 778 C2* G A 41 137.787 83.119 31.258 0.00 0.00 C ATOM 779 O2* G A 41 136.637 83.777 31.759 0.00 0.00 O ATOM 780 C1* G A 41 139.003 83.862 31.809 0.00 0.00 C ATOM 781 N9 G A 41 140.073 83.925 30.793 0.00 0.00 N ATOM 782 C8 G A 41 141.235 83.211 30.674 0.00 0.00 C ATOM 783 N7 G A 41 141.958 83.532 29.631 0.00 0.00 N ATOM 784 C5 G A 41 141.208 84.544 29.001 0.00 0.00 C ATOM 785 C6 G A 41 141.421 85.347 27.817 0.00 0.00 C ATOM 786 O6 G A 41 142.377 85.390 27.043 0.00 0.00 O ATOM 787 N1 G A 41 140.364 86.207 27.544 0.00 0.00 N ATOM 788 C2 G A 41 139.235 86.295 28.310 0.00 0.00 C ATOM 789 N2 G A 41 138.254 87.073 27.926 0.00 0.00 N ATOM 790 N3 G A 41 139.028 85.611 29.426 0.00 0.00 N ATOM 791 C4 G A 41 140.046 84.757 29.712 0.00 0.00 C ATOM 792 P G A 42 136.160 80.142 30.813 0.00 0.00 P ATOM 793 O1P G A 42 135.004 79.417 31.391 0.00 0.00 O ATOM 794 O2P G A 42 137.245 79.324 30.241 0.00 0.00 O ATOM 795 O5* G A 42 135.638 81.231 29.764 0.00 0.00 O ATOM 796 C5* G A 42 134.416 81.903 29.995 0.00 0.00 C ATOM 797 C4* G A 42 134.106 82.909 28.892 0.00 0.00 C ATOM 798 O4* G A 42 135.082 83.948 28.832 0.00 0.00 O ATOM 799 C3* G A 42 134.022 82.298 27.491 0.00 0.00 C ATOM 800 O3* G A 42 132.830 81.560 27.254 0.00 0.00 O ATOM 801 C2* G A 42 134.118 83.601 26.696 0.00 0.00 C ATOM 802 O2* G A 42 132.920 84.361 26.830 0.00 0.00 O ATOM 803 C1* G A 42 135.245 84.310 27.462 0.00 0.00 C ATOM 804 N9 G A 42 136.601 83.910 26.990 0.00 0.00 N ATOM 805 C8 G A 42 137.456 82.957 27.488 0.00 0.00 C ATOM 806 N7 G A 42 138.631 82.926 26.916 0.00 0.00 N ATOM 807 C5 G A 42 138.548 83.915 25.933 0.00 0.00 C ATOM 808 C6 G A 42 139.496 84.369 24.945 0.00 0.00 C ATOM 809 O6 G A 42 140.655 84.024 24.734 0.00 0.00 O ATOM 810 N1 G A 42 138.980 85.333 24.106 0.00 0.00 N ATOM 811 C2 G A 42 137.718 85.826 24.201 0.00 0.00 C ATOM 812 N2 G A 42 137.330 86.627 23.243 0.00 0.00 N ATOM 813 N3 G A 42 136.825 85.457 25.118 0.00 0.00 N ATOM 814 C4 G A 42 137.296 84.494 25.958 0.00 0.00 C ATOM 815 P C A 43 132.781 80.367 26.179 0.00 0.00 P ATOM 816 O1P C A 43 131.503 79.650 26.397 0.00 0.00 O ATOM 817 O2P C A 43 134.036 79.608 26.322 0.00 0.00 O ATOM 818 O5* C A 43 132.831 81.049 24.704 0.00 0.00 O ATOM 819 C5* C A 43 131.867 81.952 24.180 0.00 0.00 C ATOM 820 C4* C A 43 132.423 82.688 22.934 0.00 0.00 C ATOM 821 O4* C A 43 133.577 83.460 23.278 0.00 0.00 O ATOM 822 C3* C A 43 132.834 81.784 21.762 0.00 0.00 C ATOM 823 O3* C A 43 131.754 81.408 20.903 0.00 0.00 O ATOM 824 C2* C A 43 133.884 82.672 21.072 0.00 0.00 C ATOM 825 O2* C A 43 133.335 83.672 20.223 0.00 0.00 O ATOM 826 C1* C A 43 134.546 83.418 22.229 0.00 0.00 C ATOM 827 N1 C A 43 135.825 82.765 22.648 0.00 0.00 N ATOM 828 C2 C A 43 137.001 82.985 21.902 0.00 0.00 C ATOM 829 O2 C A 43 137.007 83.661 20.868 0.00 0.00 O ATOM 830 N3 C A 43 138.181 82.449 22.321 0.00 0.00 N ATOM 831 C4 C A 43 138.200 81.695 23.418 0.00 0.00 C ATOM 832 N4 C A 43 139.356 81.243 23.844 0.00 0.00 N ATOM 833 C5 C A 43 137.035 81.432 24.189 0.00 0.00 C ATOM 834 C6 C A 43 135.872 81.978 23.772 0.00 0.00 C ATOM 835 P A A 44 131.835 80.111 19.935 0.00 0.00 P ATOM 836 O1P A A 44 130.611 80.067 19.094 0.00 0.00 O ATOM 837 O2P A A 44 132.167 78.946 20.772 0.00 0.00 O ATOM 838 O5* A A 44 133.102 80.356 18.974 0.00 0.00 O ATOM 839 C5* A A 44 133.053 81.255 17.884 0.00 0.00 C ATOM 840 C4* A A 44 134.462 81.500 17.326 0.00 0.00 C ATOM 841 O4* A A 44 135.363 81.867 18.363 0.00 0.00 O ATOM 842 C3* A A 44 135.093 80.303 16.618 0.00 0.00 C ATOM 843 O3* A A 44 134.583 80.123 15.296 0.00 0.00 O ATOM 844 C2* A A 44 136.560 80.752 16.666 0.00 0.00 C ATOM 845 O2* A A 44 136.865 81.725 15.676 0.00 0.00 O ATOM 846 C1* A A 44 136.677 81.472 18.010 0.00 0.00 C ATOM 847 N9 A A 44 137.328 80.639 19.050 0.00 0.00 N ATOM 848 C8 A A 44 136.792 80.023 20.156 0.00 0.00 C ATOM 849 N7 A A 44 137.674 79.456 20.938 0.00 0.00 N ATOM 850 C5 A A 44 138.889 79.701 20.285 0.00 0.00 C ATOM 851 C6 A A 44 140.247 79.391 20.544 0.00 0.00 C ATOM 852 N6 A A 44 140.685 78.729 21.602 0.00 0.00 N ATOM 853 N1 A A 44 141.206 79.750 19.680 0.00 0.00 N ATOM 854 C2 A A 44 140.844 80.423 18.593 0.00 0.00 C ATOM 855 N3 A A 44 139.624 80.804 18.232 0.00 0.00 N ATOM 856 C4 A A 44 138.680 80.402 19.128 0.00 0.00 C ATOM 857 P G A 45 134.779 78.737 14.494 0.00 0.00 P ATOM 858 O1P G A 45 134.314 79.013 13.107 0.00 0.00 O ATOM 859 O2P G A 45 134.102 77.687 15.283 0.00 0.00 O ATOM 860 O5* G A 45 136.368 78.462 14.478 0.00 0.00 O ATOM 861 C5* G A 45 137.221 79.139 13.563 0.00 0.00 C ATOM 862 C4* G A 45 138.704 78.912 13.862 0.00 0.00 C ATOM 863 O4* G A 45 139.031 79.338 15.176 0.00 0.00 O ATOM 864 C3* G A 45 139.168 77.465 13.732 0.00 0.00 C ATOM 865 O3* G A 45 139.358 77.096 12.377 0.00 0.00 O ATOM 866 C2* G A 45 140.457 77.538 14.557 0.00 0.00 C ATOM 867 O2* G A 45 141.527 78.194 13.893 0.00 0.00 O ATOM 868 C1* G A 45 140.011 78.455 15.694 0.00 0.00 C ATOM 869 N9 G A 45 139.521 77.665 16.846 0.00 0.00 N ATOM 870 C8 G A 45 138.260 77.419 17.330 0.00 0.00 C ATOM 871 N7 G A 45 138.249 76.793 18.481 0.00 0.00 N ATOM 872 C5 G A 45 139.604 76.562 18.759 0.00 0.00 C ATOM 873 C6 G A 45 140.300 75.959 19.872 0.00 0.00 C ATOM 874 O6 G A 45 139.872 75.540 20.947 0.00 0.00 O ATOM 875 N1 G A 45 141.679 75.903 19.686 0.00 0.00 N ATOM 876 C2 G A 45 142.320 76.445 18.612 0.00 0.00 C ATOM 877 N2 G A 45 143.624 76.385 18.535 0.00 0.00 N ATOM 878 N3 G A 45 141.720 77.054 17.605 0.00 0.00 N ATOM 879 C4 G A 45 140.367 77.068 17.732 0.00 0.00 C ATOM 880 P G A 46 139.515 75.562 11.940 0.00 0.00 P ATOM 881 O1P G A 46 139.631 75.514 10.468 0.00 0.00 O ATOM 882 O2P G A 46 138.474 74.767 12.631 0.00 0.00 O ATOM 883 O5* G A 46 140.922 75.127 12.568 0.00 0.00 O ATOM 884 C5* G A 46 142.161 75.451 11.962 0.00 0.00 C ATOM 885 C4* G A 46 143.269 74.731 12.730 0.00 0.00 C ATOM 886 O4* G A 46 143.315 75.185 14.079 0.00 0.00 O ATOM 887 C3* G A 46 143.031 73.223 12.797 0.00 0.00 C ATOM 888 O3* G A 46 143.385 72.516 11.623 0.00 0.00 O ATOM 889 C2* G A 46 143.876 72.877 14.018 0.00 0.00 C ATOM 890 O2* G A 46 145.266 72.856 13.750 0.00 0.00 O ATOM 891 C1* G A 46 143.611 74.079 14.920 0.00 0.00 C ATOM 892 N9 G A 46 142.502 73.805 15.862 0.00 0.00 N ATOM 893 C8 G A 46 141.150 73.996 15.728 0.00 0.00 C ATOM 894 N7 G A 46 140.459 73.695 16.795 0.00 0.00 N ATOM 895 C5 G A 46 141.423 73.246 17.706 0.00 0.00 C ATOM 896 C6 G A 46 141.331 72.792 19.072 0.00 0.00 C ATOM 897 O6 G A 46 140.361 72.723 19.821 0.00 0.00 O ATOM 898 N1 G A 46 142.551 72.418 19.604 0.00 0.00 N ATOM 899 C2 G A 46 143.730 72.480 18.918 0.00 0.00 C ATOM 900 N2 G A 46 144.815 72.052 19.512 0.00 0.00 N ATOM 901 N3 G A 46 143.859 72.915 17.670 0.00 0.00 N ATOM 902 C4 G A 46 142.669 73.287 17.119 0.00 0.00 C ATOM 903 P C A 47 142.707 71.096 11.331 0.00 0.00 P ATOM 904 O1P C A 47 141.386 71.337 10.727 0.00 0.00 O ATOM 905 O2P C A 47 142.825 70.267 12.552 0.00 0.00 O ATOM 906 O5* C A 47 143.672 70.485 10.209 0.00 0.00 O ATOM 907 C5* C A 47 144.862 69.826 10.571 0.00 0.00 C ATOM 908 C4* C A 47 145.793 69.753 9.363 0.00 0.00 C ATOM 909 O4* C A 47 147.051 69.263 9.804 0.00 0.00 O ATOM 910 C3* C A 47 145.318 68.807 8.259 0.00 0.00 C ATOM 911 O3* C A 47 145.786 69.341 7.035 0.00 0.00 O ATOM 912 C2* C A 47 146.067 67.526 8.634 0.00 0.00 C ATOM 913 O2* C A 47 146.147 66.565 7.598 0.00 0.00 O ATOM 914 C1* C A 47 147.411 68.129 9.032 0.00 0.00 C ATOM 915 N1 C A 47 148.242 67.214 9.853 0.00 0.00 N ATOM 916 C2 C A 47 149.417 66.647 9.330 0.00 0.00 C ATOM 917 O2 C A 47 149.722 66.750 8.137 0.00 0.00 O ATOM 918 N3 C A 47 150.231 65.930 10.151 0.00 0.00 N ATOM 919 C4 C A 47 149.872 65.751 11.420 0.00 0.00 C ATOM 920 N4 C A 47 150.675 65.069 12.194 0.00 0.00 N ATOM 921 C5 C A 47 148.650 66.229 11.966 0.00 0.00 C ATOM 922 C6 C A 47 147.863 66.958 11.147 0.00 0.00 C ATOM 923 P C A 48 144.780 69.583 5.823 0.00 0.00 P ATOM 924 O1P C A 48 143.714 70.508 6.291 0.00 0.00 O ATOM 925 O2P C A 48 144.430 68.267 5.240 0.00 0.00 O ATOM 926 O5* C A 48 145.732 70.361 4.786 0.00 0.00 O ATOM 927 C5* C A 48 145.813 71.764 4.884 0.00 0.00 C ATOM 928 C4* C A 48 146.891 72.469 4.061 0.00 0.00 C ATOM 929 O4* C A 48 146.991 73.744 4.661 0.00 0.00 O ATOM 930 C3* C A 48 148.306 71.873 4.140 0.00 0.00 C ATOM 931 O3* C A 48 148.644 70.937 3.112 0.00 0.00 O ATOM 932 C2* C A 48 149.242 73.090 4.342 0.00 0.00 C ATOM 933 O2* C A 48 150.197 73.351 3.326 0.00 0.00 O ATOM 934 C1* C A 48 148.266 74.270 4.393 0.00 0.00 C ATOM 935 N1 C A 48 148.574 75.299 5.424 0.00 0.00 N ATOM 936 C2 C A 48 148.717 76.636 5.027 0.00 0.00 C ATOM 937 O2 C A 48 148.686 76.948 3.832 0.00 0.00 O ATOM 938 N3 C A 48 148.935 77.593 5.971 0.00 0.00 N ATOM 939 C4 C A 48 149.041 77.243 7.241 0.00 0.00 C ATOM 940 N4 C A 48 149.214 78.223 8.095 0.00 0.00 N ATOM 941 C5 C A 48 148.912 75.897 7.696 0.00 0.00 C ATOM 942 C6 C A 48 148.662 74.957 6.753 0.00 0.00 C ATOM 943 P U A 49 148.445 71.160 1.519 0.00 0.00 P ATOM 944 O1P U A 49 148.310 72.593 1.182 0.00 0.00 O ATOM 945 O2P U A 49 147.367 70.254 1.061 0.00 0.00 O ATOM 946 O5* U A 49 149.833 70.578 0.933 0.00 0.00 O ATOM 947 C5* U A 49 150.065 69.172 0.947 0.00 0.00 C ATOM 948 C4* U A 49 151.536 68.795 1.187 0.00 0.00 C ATOM 949 O4* U A 49 151.945 69.372 2.429 0.00 0.00 O ATOM 950 C3* U A 49 151.678 67.257 1.288 0.00 0.00 C ATOM 951 O3* U A 49 152.794 66.767 0.543 0.00 0.00 O ATOM 952 C2* U A 49 151.784 67.092 2.821 0.00 0.00 C ATOM 953 O2* U A 49 152.514 65.986 3.321 0.00 0.00 O ATOM 954 C1* U A 49 152.462 68.369 3.283 0.00 0.00 C ATOM 955 N1 U A 49 152.209 68.648 4.734 0.00 0.00 N ATOM 956 C2 U A 49 153.241 68.418 5.653 0.00 0.00 C ATOM 957 O2 U A 49 154.362 68.053 5.320 0.00 0.00 O ATOM 958 N3 U A 49 152.961 68.627 6.996 0.00 0.00 N ATOM 959 C4 U A 49 151.761 69.067 7.502 0.00 0.00 C ATOM 960 O4 U A 49 151.651 69.259 8.711 0.00 0.00 O ATOM 961 C5 U A 49 150.735 69.278 6.500 0.00 0.00 C ATOM 962 C6 U A 49 150.975 69.071 5.177 0.00 0.00 C ATOM 963 P A A 50 152.611 66.008 -0.882 0.00 0.00 P ATOM 964 O1P A A 50 153.950 65.708 -1.444 0.00 0.00 O ATOM 965 O2P A A 50 151.635 66.726 -1.731 0.00 0.00 O ATOM 966 O5* A A 50 151.974 64.576 -0.512 0.00 0.00 O ATOM 967 C5* A A 50 150.697 64.136 -0.961 0.00 0.00 C ATOM 968 C4* A A 50 150.148 63.005 -0.062 0.00 0.00 C ATOM 969 O4* A A 50 151.153 62.009 0.145 0.00 0.00 O ATOM 970 C3* A A 50 149.736 63.540 1.318 0.00 0.00 C ATOM 971 O3* A A 50 148.711 62.739 1.908 0.00 0.00 O ATOM 972 C2* A A 50 151.067 63.368 2.050 0.00 0.00 C ATOM 973 O2* A A 50 150.939 63.555 3.446 0.00 0.00 O ATOM 974 C1* A A 50 151.510 61.994 1.527 0.00 0.00 C ATOM 975 N9 A A 50 152.973 61.756 1.659 0.00 0.00 N ATOM 976 C8 A A 50 153.992 62.374 0.973 0.00 0.00 C ATOM 977 N7 A A 50 155.178 61.870 1.188 0.00 0.00 N ATOM 978 C5 A A 50 154.938 60.873 2.142 0.00 0.00 C ATOM 979 C6 A A 50 155.758 59.947 2.841 0.00 0.00 C ATOM 980 N6 A A 50 157.072 59.833 2.686 0.00 0.00 N ATOM 981 N1 A A 50 155.229 59.088 3.725 0.00 0.00 N ATOM 982 C2 A A 50 153.913 59.159 3.922 0.00 0.00 C ATOM 983 N3 A A 50 153.019 59.968 3.344 0.00 0.00 N ATOM 984 C4 A A 50 153.601 60.813 2.449 0.00 0.00 C ATOM 985 P A A 51 147.201 63.291 2.142 0.00 0.00 P ATOM 986 O1P A A 51 147.156 64.743 1.856 0.00 0.00 O ATOM 987 O2P A A 51 146.713 62.796 3.442 0.00 0.00 O ATOM 988 O5* A A 51 146.409 62.523 0.974 0.00 0.00 O ATOM 989 C5* A A 51 146.394 63.063 -0.327 0.00 0.00 C ATOM 990 C4* A A 51 145.651 62.186 -1.336 0.00 0.00 C ATOM 991 O4* A A 51 144.266 62.428 -1.248 0.00 0.00 O ATOM 992 C3* A A 51 146.040 62.665 -2.734 0.00 0.00 C ATOM 993 O3* A A 51 147.330 62.270 -3.232 0.00 0.00 O ATOM 994 C2* A A 51 144.779 62.442 -3.583 0.00 0.00 C ATOM 995 O2* A A 51 144.887 61.326 -4.444 0.00 0.00 O ATOM 996 C1* A A 51 143.678 62.230 -2.521 0.00 0.00 C ATOM 997 N9 A A 51 142.510 63.148 -2.607 0.00 0.00 N ATOM 998 C8 A A 51 142.192 64.205 -1.785 0.00 0.00 C ATOM 999 N7 A A 51 140.976 64.670 -1.924 0.00 0.00 N ATOM 1000 C5 A A 51 140.455 63.875 -2.957 0.00 0.00 C ATOM 1001 C6 A A 51 139.203 63.789 -3.626 0.00 0.00 C ATOM 1002 N6 A A 51 138.154 64.576 -3.407 0.00 0.00 N ATOM 1003 N1 A A 51 138.995 62.848 -4.558 0.00 0.00 N ATOM 1004 C2 A A 51 140.012 62.044 -4.868 0.00 0.00 C ATOM 1005 N3 A A 51 141.242 62.034 -4.361 0.00 0.00 N ATOM 1006 C4 A A 51 141.393 62.967 -3.386 0.00 0.00 C ATOM 1007 P C A 52 148.055 60.832 -3.020 0.00 0.00 P ATOM 1008 O1P C A 52 149.372 60.949 -3.692 0.00 0.00 O ATOM 1009 O2P C A 52 147.188 59.761 -3.543 0.00 0.00 O ATOM 1010 O5* C A 52 148.345 60.613 -1.457 0.00 0.00 O ATOM 1011 C5* C A 52 147.762 59.566 -0.687 0.00 0.00 C ATOM 1012 C4* C A 52 148.819 58.519 -0.336 0.00 0.00 C ATOM 1013 O4* C A 52 149.828 59.085 0.501 0.00 0.00 O ATOM 1014 C3* C A 52 148.232 57.331 0.427 0.00 0.00 C ATOM 1015 O3* C A 52 147.641 56.370 -0.433 0.00 0.00 O ATOM 1016 C2* C A 52 149.495 56.841 1.150 0.00 0.00 C ATOM 1017 O2* C A 52 150.431 56.148 0.325 0.00 0.00 O ATOM 1018 C1* C A 52 150.151 58.168 1.541 0.00 0.00 C ATOM 1019 N1 C A 52 149.706 58.647 2.885 0.00 0.00 N ATOM 1020 C2 C A 52 150.311 58.087 4.022 0.00 0.00 C ATOM 1021 O2 C A 52 151.110 57.157 3.919 0.00 0.00 O ATOM 1022 N3 C A 52 150.026 58.581 5.259 0.00 0.00 N ATOM 1023 C4 C A 52 149.123 59.543 5.375 0.00 0.00 C ATOM 1024 N4 C A 52 148.972 60.072 6.567 0.00 0.00 N ATOM 1025 C5 C A 52 148.462 60.119 4.262 0.00 0.00 C ATOM 1026 C6 C A 52 148.787 59.659 3.032 0.00 0.00 C ATOM 1027 P A A 53 146.564 55.291 0.088 0.00 0.00 P ATOM 1028 O1P A A 53 146.339 54.304 -0.985 0.00 0.00 O ATOM 1029 O2P A A 53 145.402 55.972 0.712 0.00 0.00 O ATOM 1030 O5* A A 53 147.306 54.536 1.293 0.00 0.00 O ATOM 1031 C5* A A 53 148.271 53.525 1.064 0.00 0.00 C ATOM 1032 C4* A A 53 148.711 52.890 2.390 0.00 0.00 C ATOM 1033 O4* A A 53 149.397 53.821 3.226 0.00 0.00 O ATOM 1034 C3* A A 53 147.543 52.354 3.210 0.00 0.00 C ATOM 1035 O3* A A 53 147.061 51.102 2.747 0.00 0.00 O ATOM 1036 C2* A A 53 148.174 52.326 4.607 0.00 0.00 C ATOM 1037 O2* A A 53 149.057 51.237 4.834 0.00 0.00 O ATOM 1038 C1* A A 53 149.019 53.594 4.584 0.00 0.00 C ATOM 1039 N9 A A 53 148.247 54.736 5.125 0.00 0.00 N ATOM 1040 C8 A A 53 147.574 55.719 4.439 0.00 0.00 C ATOM 1041 N7 A A 53 147.036 56.630 5.199 0.00 0.00 N ATOM 1042 C5 A A 53 147.352 56.199 6.488 0.00 0.00 C ATOM 1043 C6 A A 53 147.103 56.715 7.777 0.00 0.00 C ATOM 1044 N6 A A 53 146.499 57.866 8.001 0.00 0.00 N ATOM 1045 N1 A A 53 147.521 56.059 8.865 0.00 0.00 N ATOM 1046 C2 A A 53 148.206 54.936 8.686 0.00 0.00 C ATOM 1047 N3 A A 53 148.550 54.344 7.543 0.00 0.00 N ATOM 1048 C4 A A 53 148.075 55.035 6.461 0.00 0.00 C ATOM 1049 P C A 54 145.574 50.626 3.128 0.00 0.00 P ATOM 1050 O1P C A 54 145.304 49.327 2.474 0.00 0.00 O ATOM 1051 O2P C A 54 144.669 51.786 2.914 0.00 0.00 O ATOM 1052 O5* C A 54 145.785 50.393 4.710 0.00 0.00 O ATOM 1053 C5* C A 54 144.710 50.486 5.628 0.00 0.00 C ATOM 1054 C4* C A 54 145.274 50.652 7.043 0.00 0.00 C ATOM 1055 O4* C A 54 145.862 51.941 7.186 0.00 0.00 O ATOM 1056 C3* C A 54 144.215 50.599 8.139 0.00 0.00 C ATOM 1057 O3* C A 54 143.753 49.300 8.460 0.00 0.00 O ATOM 1058 C2* C A 54 144.963 51.290 9.279 0.00 0.00 C ATOM 1059 O2* C A 54 145.943 50.485 9.920 0.00 0.00 O ATOM 1060 C1* C A 54 145.721 52.385 8.531 0.00 0.00 C ATOM 1061 N1 C A 54 145.022 53.695 8.636 0.00 0.00 N ATOM 1062 C2 C A 54 145.012 54.333 9.885 0.00 0.00 C ATOM 1063 O2 C A 54 145.505 53.811 10.883 0.00 0.00 O ATOM 1064 N3 C A 54 144.459 55.557 10.020 0.00 0.00 N ATOM 1065 C4 C A 54 143.955 56.150 8.954 0.00 0.00 C ATOM 1066 N4 C A 54 143.480 57.343 9.141 0.00 0.00 N ATOM 1067 C5 C A 54 143.920 55.549 7.661 0.00 0.00 C ATOM 1068 C6 C A 54 144.459 54.313 7.543 0.00 0.00 C ATOM 1069 P A A 55 142.652 49.075 9.614 0.00 0.00 P ATOM 1070 O1P A A 55 141.923 47.825 9.282 0.00 0.00 O ATOM 1071 O2P A A 55 141.938 50.360 9.840 0.00 0.00 O ATOM 1072 O5* A A 55 143.520 48.794 10.932 0.00 0.00 O ATOM 1073 C5* A A 55 144.363 47.663 11.023 0.00 0.00 C ATOM 1074 C4* A A 55 144.679 47.327 12.484 0.00 0.00 C ATOM 1075 O4* A A 55 145.486 48.338 13.075 0.00 0.00 O ATOM 1076 C3* A A 55 143.428 47.187 13.348 0.00 0.00 C ATOM 1077 O3* A A 55 142.765 45.928 13.191 0.00 0.00 O ATOM 1078 C2* A A 55 144.058 47.413 14.730 0.00 0.00 C ATOM 1079 O2* A A 55 144.704 46.242 15.214 0.00 0.00 O ATOM 1080 C1* A A 55 145.161 48.446 14.457 0.00 0.00 C ATOM 1081 N9 A A 55 144.786 49.852 14.767 0.00 0.00 N ATOM 1082 C8 A A 55 144.805 50.936 13.922 0.00 0.00 C ATOM 1083 N7 A A 55 144.543 52.080 14.497 0.00 0.00 N ATOM 1084 C5 A A 55 144.304 51.724 15.824 0.00 0.00 C ATOM 1085 C6 A A 55 143.914 52.443 16.978 0.00 0.00 C ATOM 1086 N6 A A 55 143.646 53.741 16.997 0.00 0.00 N ATOM 1087 N1 A A 55 143.750 51.814 18.149 0.00 0.00 N ATOM 1088 C2 A A 55 143.981 50.503 18.182 0.00 0.00 C ATOM 1089 N3 A A 55 144.337 49.700 17.180 0.00 0.00 N ATOM 1090 C4 A A 55 144.473 50.375 16.005 0.00 0.00 C ATOM 1091 P U A 56 141.177 45.819 13.426 0.00 0.00 P ATOM 1092 O1P U A 56 140.720 44.419 13.572 0.00 0.00 O ATOM 1093 O2P U A 56 140.469 46.656 12.450 0.00 0.00 O ATOM 1094 O5* U A 56 140.872 46.471 14.851 0.00 0.00 O ATOM 1095 C5* U A 56 141.227 45.857 16.079 0.00 0.00 C ATOM 1096 C4* U A 56 140.776 46.765 17.228 0.00 0.00 C ATOM 1097 O4* U A 56 141.580 47.936 17.286 0.00 0.00 O ATOM 1098 C3* U A 56 139.333 47.256 17.085 0.00 0.00 C ATOM 1099 O3* U A 56 138.372 46.241 17.385 0.00 0.00 O ATOM 1100 C2* U A 56 139.389 48.480 18.006 0.00 0.00 C ATOM 1101 O2* U A 56 139.390 48.120 19.380 0.00 0.00 O ATOM 1102 C1* U A 56 140.775 49.052 17.662 0.00 0.00 C ATOM 1103 N1 U A 56 140.763 50.098 16.585 0.00 0.00 N ATOM 1104 C2 U A 56 140.514 51.429 16.954 0.00 0.00 C ATOM 1105 O2 U A 56 140.205 51.753 18.100 0.00 0.00 O ATOM 1106 N3 U A 56 140.649 52.398 15.967 0.00 0.00 N ATOM 1107 C4 U A 56 141.043 52.175 14.666 0.00 0.00 C ATOM 1108 O4 U A 56 141.207 53.121 13.899 0.00 0.00 O ATOM 1109 C5 U A 56 141.254 50.778 14.348 0.00 0.00 C ATOM 1110 C6 U A 56 141.109 49.802 15.282 0.00 0.00 C ATOM 1111 P G A 57 136.864 46.351 16.854 0.00 0.00 P ATOM 1112 O1P G A 57 136.085 45.171 17.296 0.00 0.00 O ATOM 1113 O2P G A 57 136.975 46.550 15.394 0.00 0.00 O ATOM 1114 O5* G A 57 136.276 47.656 17.568 0.00 0.00 O ATOM 1115 C5* G A 57 136.030 47.657 18.968 0.00 0.00 C ATOM 1116 C4* G A 57 135.581 49.030 19.470 0.00 0.00 C ATOM 1117 O4* G A 57 136.647 49.968 19.417 0.00 0.00 O ATOM 1118 C3* G A 57 134.410 49.632 18.687 0.00 0.00 C ATOM 1119 O3* G A 57 133.179 49.006 19.024 0.00 0.00 O ATOM 1120 C2* G A 57 134.572 51.097 19.129 0.00 0.00 C ATOM 1121 O2* G A 57 134.163 51.371 20.461 0.00 0.00 O ATOM 1122 C1* G A 57 136.093 51.237 19.102 0.00 0.00 C ATOM 1123 N9 G A 57 136.556 51.675 17.769 0.00 0.00 N ATOM 1124 C8 G A 57 136.918 50.935 16.672 0.00 0.00 C ATOM 1125 N7 G A 57 137.243 51.647 15.628 0.00 0.00 N ATOM 1126 C5 G A 57 137.064 52.968 16.062 0.00 0.00 C ATOM 1127 C6 G A 57 137.166 54.225 15.373 0.00 0.00 C ATOM 1128 O6 G A 57 137.469 54.448 14.204 0.00 0.00 O ATOM 1129 N1 G A 57 136.806 55.309 16.155 0.00 0.00 N ATOM 1130 C2 G A 57 136.390 55.208 17.451 0.00 0.00 C ATOM 1131 N2 G A 57 135.972 56.293 18.057 0.00 0.00 N ATOM 1132 N3 G A 57 136.282 54.063 18.120 0.00 0.00 N ATOM 1133 C4 G A 57 136.632 52.981 17.369 0.00 0.00 C ATOM 1134 P C A 58 132.009 48.685 17.958 0.00 0.00 P ATOM 1135 O1P C A 58 131.177 47.601 18.538 0.00 0.00 O ATOM 1136 O2P C A 58 132.559 48.529 16.588 0.00 0.00 O ATOM 1137 O5* C A 58 131.167 50.049 17.807 0.00 0.00 O ATOM 1138 C5* C A 58 130.556 50.724 18.890 0.00 0.00 C ATOM 1139 C4* C A 58 130.492 52.240 18.621 0.00 0.00 C ATOM 1140 O4* C A 58 131.787 52.858 18.635 0.00 0.00 O ATOM 1141 C3* C A 58 129.878 52.641 17.275 0.00 0.00 C ATOM 1142 O3* C A 58 128.467 52.559 17.170 0.00 0.00 O ATOM 1143 C2* C A 58 130.373 54.083 17.213 0.00 0.00 C ATOM 1144 O2* C A 58 129.649 54.875 18.150 0.00 0.00 O ATOM 1145 C1* C A 58 131.831 53.900 17.646 0.00 0.00 C ATOM 1146 N1 C A 58 132.699 53.523 16.477 0.00 0.00 N ATOM 1147 C2 C A 58 133.168 54.512 15.589 0.00 0.00 C ATOM 1148 O2 C A 58 132.883 55.702 15.726 0.00 0.00 O ATOM 1149 N3 C A 58 133.949 54.158 14.531 0.00 0.00 N ATOM 1150 C4 C A 58 134.279 52.882 14.359 0.00 0.00 C ATOM 1151 N4 C A 58 135.130 52.580 13.412 0.00 0.00 N ATOM 1152 C5 C A 58 133.838 51.848 15.228 0.00 0.00 C ATOM 1153 C6 C A 58 133.050 52.210 16.263 0.00 0.00 C ATOM 1154 P A A 59 127.790 52.508 15.720 0.00 0.00 P ATOM 1155 O1P A A 59 126.330 52.458 15.971 0.00 0.00 O ATOM 1156 O2P A A 59 128.458 51.400 14.992 0.00 0.00 O ATOM 1157 O5* A A 59 128.160 53.923 15.013 0.00 0.00 O ATOM 1158 C5* A A 59 127.651 55.176 15.477 0.00 0.00 C ATOM 1159 C4* A A 59 128.133 56.365 14.622 0.00 0.00 C ATOM 1160 O4* A A 59 129.557 56.430 14.492 0.00 0.00 O ATOM 1161 C3* A A 59 127.562 56.348 13.210 0.00 0.00 C ATOM 1162 O3* A A 59 126.241 56.856 13.147 0.00 0.00 O ATOM 1163 C2* A A 59 128.599 57.195 12.472 0.00 0.00 C ATOM 1164 O2* A A 59 128.522 58.586 12.750 0.00 0.00 O ATOM 1165 C1* A A 59 129.888 56.711 13.128 0.00 0.00 C ATOM 1166 N9 A A 59 130.459 55.508 12.477 0.00 0.00 N ATOM 1167 C8 A A 59 130.807 54.316 13.062 0.00 0.00 C ATOM 1168 N7 A A 59 131.416 53.475 12.269 0.00 0.00 N ATOM 1169 C5 A A 59 131.476 54.176 11.059 0.00 0.00 C ATOM 1170 C6 A A 59 132.028 53.902 9.786 0.00 0.00 C ATOM 1171 N6 A A 59 132.722 52.818 9.485 0.00 0.00 N ATOM 1172 N1 A A 59 131.918 54.778 8.786 0.00 0.00 N ATOM 1173 C2 A A 59 131.305 55.927 9.036 0.00 0.00 C ATOM 1174 N3 A A 59 130.769 56.343 10.183 0.00 0.00 N ATOM 1175 C4 A A 59 130.882 55.407 11.169 0.00 0.00 C ATOM 1176 P A A 60 125.371 56.757 11.806 0.00 0.00 P ATOM 1177 O1P A A 60 126.147 57.260 10.647 0.00 0.00 O ATOM 1178 O2P A A 60 124.016 57.274 12.070 0.00 0.00 O ATOM 1179 O5* A A 60 125.287 55.155 11.665 0.00 0.00 O ATOM 1180 C5* A A 60 124.565 54.379 12.619 0.00 0.00 C ATOM 1181 C4* A A 60 123.482 53.518 11.953 0.00 0.00 C ATOM 1182 O4* A A 60 122.499 54.355 11.350 0.00 0.00 O ATOM 1183 C3* A A 60 124.090 52.612 10.870 0.00 0.00 C ATOM 1184 O3* A A 60 124.282 51.230 11.225 0.00 0.00 O ATOM 1185 C2* A A 60 123.371 53.062 9.580 0.00 0.00 C ATOM 1186 O2* A A 60 122.997 52.029 8.687 0.00 0.00 O ATOM 1187 C1* A A 60 122.165 53.888 10.052 0.00 0.00 C ATOM 1188 N9 A A 60 121.820 55.059 9.178 0.00 0.00 N ATOM 1189 C8 A A 60 122.577 56.177 8.900 0.00 0.00 C ATOM 1190 N7 A A 60 121.978 57.082 8.164 0.00 0.00 N ATOM 1191 C5 A A 60 120.693 56.553 7.978 0.00 0.00 C ATOM 1192 C6 A A 60 119.489 57.021 7.369 0.00 0.00 C ATOM 1193 N6 A A 60 119.293 58.191 6.770 0.00 0.00 N ATOM 1194 N1 A A 60 118.385 56.266 7.384 0.00 0.00 N ATOM 1195 C2 A A 60 118.459 55.074 7.968 0.00 0.00 C ATOM 1196 N3 A A 60 119.501 54.497 8.568 0.00 0.00 N ATOM 1197 C4 A A 60 120.603 55.307 8.562 0.00 0.00 C ATOM 1198 P G A 61 123.198 50.139 11.740 0.00 0.00 P ATOM 1199 O1P G A 61 123.980 49.038 12.373 0.00 0.00 O ATOM 1200 O2P G A 61 122.236 49.800 10.677 0.00 0.00 O ATOM 1201 O5* G A 61 122.382 50.727 13.008 0.00 0.00 O ATOM 1202 C5* G A 61 120.999 50.461 13.220 0.00 0.00 C ATOM 1203 C4* G A 61 120.106 51.681 12.997 0.00 0.00 C ATOM 1204 O4* G A 61 120.011 52.001 11.617 0.00 0.00 O ATOM 1205 C3* G A 61 118.695 51.354 13.485 0.00 0.00 C ATOM 1206 O3* G A 61 118.588 51.504 14.908 0.00 0.00 O ATOM 1207 C2* G A 61 117.869 52.303 12.597 0.00 0.00 C ATOM 1208 O2* G A 61 117.808 53.636 13.099 0.00 0.00 O ATOM 1209 C1* G A 61 118.665 52.296 11.284 0.00 0.00 C ATOM 1210 N9 G A 61 118.156 51.293 10.314 0.00 0.00 N ATOM 1211 C8 G A 61 118.747 50.133 9.878 0.00 0.00 C ATOM 1212 N7 G A 61 118.091 49.517 8.931 0.00 0.00 N ATOM 1213 C5 G A 61 116.974 50.325 8.714 0.00 0.00 C ATOM 1214 C6 G A 61 115.894 50.218 7.767 0.00 0.00 C ATOM 1215 O6 G A 61 115.663 49.355 6.920 0.00 0.00 O ATOM 1216 N1 G A 61 115.026 51.291 7.825 0.00 0.00 N ATOM 1217 C2 G A 61 115.155 52.332 8.701 0.00 0.00 C ATOM 1218 N2 G A 61 114.224 53.251 8.669 0.00 0.00 N ATOM 1219 N3 G A 61 116.123 52.453 9.608 0.00 0.00 N ATOM 1220 C4 G A 61 117.016 51.421 9.554 0.00 0.00 C ATOM 1221 P U A 62 117.706 50.492 15.818 0.00 0.00 P ATOM 1222 O1P U A 62 117.749 50.864 17.258 0.00 0.00 O ATOM 1223 O2P U A 62 118.032 49.108 15.413 0.00 0.00 O ATOM 1224 O5* U A 62 116.246 50.812 15.289 0.00 0.00 O ATOM 1225 C5* U A 62 115.688 52.099 15.457 0.00 0.00 C ATOM 1226 C4* U A 62 114.451 52.255 14.567 0.00 0.00 C ATOM 1227 O4* U A 62 114.773 52.146 13.191 0.00 0.00 O ATOM 1228 C3* U A 62 113.397 51.213 14.882 0.00 0.00 C ATOM 1229 O3* U A 62 112.595 51.776 15.897 0.00 0.00 O ATOM 1230 C2* U A 62 112.733 50.964 13.517 0.00 0.00 C ATOM 1231 O2* U A 62 111.638 51.798 13.190 0.00 0.00 O ATOM 1232 C1* U A 62 113.822 51.336 12.520 0.00 0.00 C ATOM 1233 N1 U A 62 114.389 50.125 11.868 0.00 0.00 N ATOM 1234 C2 U A 62 113.696 49.630 10.760 0.00 0.00 C ATOM 1235 O2 U A 62 112.660 50.136 10.333 0.00 0.00 O ATOM 1236 N3 U A 62 114.221 48.514 10.146 0.00 0.00 N ATOM 1237 C4 U A 62 115.331 47.813 10.551 0.00 0.00 C ATOM 1238 O4 U A 62 115.646 46.785 9.968 0.00 0.00 O ATOM 1239 C5 U A 62 115.995 48.375 11.707 0.00 0.00 C ATOM 1240 C6 U A 62 115.519 49.484 12.331 0.00 0.00 C ATOM 1241 P C A 63 111.582 50.916 16.754 0.00 0.00 P ATOM 1242 O1P C A 63 111.109 51.777 17.860 0.00 0.00 O ATOM 1243 O2P C A 63 112.180 49.585 16.993 0.00 0.00 O ATOM 1244 O5* C A 63 110.418 50.803 15.670 0.00 0.00 O ATOM 1245 C5* C A 63 109.434 49.802 15.808 0.00 0.00 C ATOM 1246 C4* C A 63 108.419 49.888 14.666 0.00 0.00 C ATOM 1247 O4* C A 63 109.083 50.069 13.411 0.00 0.00 O ATOM 1248 C3* C A 63 107.585 48.605 14.555 0.00 0.00 C ATOM 1249 O3* C A 63 106.410 48.600 15.359 0.00 0.00 O ATOM 1250 C2* C A 63 107.294 48.578 13.045 0.00 0.00 C ATOM 1251 O2* C A 63 106.250 49.436 12.614 0.00 0.00 O ATOM 1252 C1* C A 63 108.560 49.177 12.435 0.00 0.00 C ATOM 1253 N1 C A 63 109.577 48.161 12.022 0.00 0.00 N ATOM 1254 C2 C A 63 109.466 47.541 10.764 0.00 0.00 C ATOM 1255 O2 C A 63 108.495 47.719 10.025 0.00 0.00 O ATOM 1256 N3 C A 63 110.449 46.705 10.331 0.00 0.00 N ATOM 1257 C4 C A 63 111.514 46.496 11.097 0.00 0.00 C ATOM 1258 N4 C A 63 112.462 45.731 10.610 0.00 0.00 N ATOM 1259 C5 C A 63 111.669 47.091 12.381 0.00 0.00 C ATOM 1260 C6 C A 63 110.674 47.903 12.811 0.00 0.00 C ATOM 1261 P G A 64 106.376 47.976 16.857 0.00 0.00 P ATOM 1262 O1P G A 64 105.393 48.752 17.637 0.00 0.00 O ATOM 1263 O2P G A 64 107.754 47.857 17.361 0.00 0.00 O ATOM 1264 O5* G A 64 105.750 46.516 16.647 0.00 0.00 O ATOM 1265 C5* G A 64 104.460 46.389 16.078 0.00 0.00 C ATOM 1266 C4* G A 64 103.927 44.957 16.167 0.00 0.00 C ATOM 1267 O4* G A 64 104.866 44.118 15.548 0.00 0.00 O ATOM 1268 C3* G A 64 103.702 44.433 17.599 0.00 0.00 C ATOM 1269 O3* G A 64 102.347 44.400 18.017 0.00 0.00 O ATOM 1270 C2* G A 64 104.207 42.982 17.560 0.00 0.00 C ATOM 1271 O2* G A 64 103.219 41.959 17.692 0.00 0.00 O ATOM 1272 C1* G A 64 104.755 42.860 16.150 0.00 0.00 C ATOM 1273 N9 G A 64 106.073 42.240 16.150 0.00 0.00 N ATOM 1274 C8 G A 64 107.238 42.644 16.736 0.00 0.00 C ATOM 1275 N7 G A 64 108.242 41.850 16.488 0.00 0.00 N ATOM 1276 C5 G A 64 107.696 40.855 15.680 0.00 0.00 C ATOM 1277 C6 G A 64 108.286 39.738 15.011 0.00 0.00 C ATOM 1278 O6 G A 64 109.459 39.378 15.022 0.00 0.00 O ATOM 1279 N1 G A 64 107.368 39.020 14.252 0.00 0.00 N ATOM 1280 C2 G A 64 106.043 39.352 14.146 0.00 0.00 C ATOM 1281 N2 G A 64 105.227 38.670 13.382 0.00 0.00 N ATOM 1282 N3 G A 64 105.480 40.404 14.717 0.00 0.00 N ATOM 1283 C4 G A 64 106.362 41.102 15.474 0.00 0.00 C ATOM 1284 P A A 65 101.452 45.689 18.182 0.00 0.00 P ATOM 1285 O1P A A 65 102.245 46.765 18.799 0.00 0.00 O ATOM 1286 O2P A A 65 100.227 45.324 18.922 0.00 0.00 O ATOM 1287 O5* A A 65 101.074 46.164 16.723 0.00 0.00 O ATOM 1288 C5* A A 65 100.238 45.449 15.843 0.00 0.00 C ATOM 1289 C4* A A 65 100.062 46.296 14.573 0.00 0.00 C ATOM 1290 O4* A A 65 99.092 47.301 14.822 0.00 0.00 O ATOM 1291 C3* A A 65 101.340 47.026 14.145 0.00 0.00 C ATOM 1292 O3* A A 65 101.271 47.221 12.753 0.00 0.00 O ATOM 1293 C2* A A 65 101.224 48.377 14.862 0.00 0.00 C ATOM 1294 O2* A A 65 101.882 49.441 14.197 0.00 0.00 O ATOM 1295 C1* A A 65 99.711 48.577 14.823 0.00 0.00 C ATOM 1296 N9 A A 65 99.162 49.375 15.940 0.00 0.00 N ATOM 1297 C8 A A 65 99.324 49.209 17.294 0.00 0.00 C ATOM 1298 N7 A A 65 98.681 50.082 18.027 0.00 0.00 N ATOM 1299 C5 A A 65 98.041 50.882 17.074 0.00 0.00 C ATOM 1300 C6 A A 65 97.178 52.002 17.131 0.00 0.00 C ATOM 1301 N6 A A 65 96.754 52.590 18.237 0.00 0.00 N ATOM 1302 N1 A A 65 96.697 52.562 16.021 0.00 0.00 N ATOM 1303 C2 A A 65 97.048 52.024 14.858 0.00 0.00 C ATOM 1304 N3 A A 65 97.832 50.973 14.644 0.00 0.00 N ATOM 1305 C4 A A 65 98.313 50.446 15.805 0.00 0.00 C ATOM 1306 P A A 66 102.498 46.874 11.802 0.00 0.00 P ATOM 1307 O1P A A 66 103.663 46.449 12.608 0.00 0.00 O ATOM 1308 O2P A A 66 102.657 47.967 10.816 0.00 0.00 O ATOM 1309 O5* A A 66 101.875 45.589 11.053 0.00 0.00 O ATOM 1310 C5* A A 66 100.594 45.670 10.442 0.00 0.00 C ATOM 1311 C4* A A 66 100.484 44.848 9.160 0.00 0.00 C ATOM 1312 O4* A A 66 101.398 45.353 8.184 0.00 0.00 O ATOM 1313 C3* A A 66 100.721 43.341 9.341 0.00 0.00 C ATOM 1314 O3* A A 66 99.529 42.602 9.665 0.00 0.00 O ATOM 1315 C2* A A 66 101.296 43.041 7.943 0.00 0.00 C ATOM 1316 O2* A A 66 100.312 43.035 6.907 0.00 0.00 O ATOM 1317 C1* A A 66 102.157 44.278 7.655 0.00 0.00 C ATOM 1318 N9 A A 66 103.510 44.289 8.275 0.00 0.00 N ATOM 1319 C8 A A 66 104.055 45.250 9.094 0.00 0.00 C ATOM 1320 N7 A A 66 105.278 45.016 9.478 0.00 0.00 N ATOM 1321 C5 A A 66 105.593 43.836 8.811 0.00 0.00 C ATOM 1322 C6 A A 66 106.762 43.052 8.732 0.00 0.00 C ATOM 1323 N6 A A 66 107.864 43.300 9.425 0.00 0.00 N ATOM 1324 N1 A A 66 106.813 42.002 7.903 0.00 0.00 N ATOM 1325 C2 A A 66 105.722 41.710 7.199 0.00 0.00 C ATOM 1326 N3 A A 66 104.546 42.332 7.204 0.00 0.00 N ATOM 1327 C4 A A 66 104.544 43.408 8.039 0.00 0.00 C ATOM 1328 P C A 67 99.355 41.747 11.046 0.00 0.00 P ATOM 1329 O1P C A 67 97.933 41.341 11.217 0.00 0.00 O ATOM 1330 O2P C A 67 100.054 42.429 12.153 0.00 0.00 O ATOM 1331 O5* C A 67 100.146 40.394 10.709 0.00 0.00 O ATOM 1332 C5* C A 67 99.545 39.396 9.907 0.00 0.00 C ATOM 1333 C4* C A 67 100.558 38.547 9.130 0.00 0.00 C ATOM 1334 O4* C A 67 101.577 39.315 8.496 0.00 0.00 O ATOM 1335 C3* C A 67 101.236 37.463 9.966 0.00 0.00 C ATOM 1336 O3* C A 67 100.332 36.377 10.165 0.00 0.00 O ATOM 1337 C2* C A 67 102.414 37.170 9.026 0.00 0.00 C ATOM 1338 O2* C A 67 101.995 36.391 7.909 0.00 0.00 O ATOM 1339 C1* C A 67 102.798 38.581 8.543 0.00 0.00 C ATOM 1340 N1 C A 67 103.796 39.253 9.437 0.00 0.00 N ATOM 1341 C2 C A 67 105.166 38.975 9.268 0.00 0.00 C ATOM 1342 O2 C A 67 105.559 38.137 8.455 0.00 0.00 O ATOM 1343 N3 C A 67 106.095 39.636 10.012 0.00 0.00 N ATOM 1344 C4 C A 67 105.682 40.566 10.866 0.00 0.00 C ATOM 1345 N4 C A 67 106.566 41.301 11.485 0.00 0.00 N ATOM 1346 C5 C A 67 104.315 40.871 11.093 0.00 0.00 C ATOM 1347 C6 C A 67 103.404 40.195 10.362 0.00 0.00 C ATOM 1348 P G A 68 100.302 35.487 11.500 0.00 0.00 P ATOM 1349 O1P G A 68 99.051 34.691 11.498 0.00 0.00 O ATOM 1350 O2P G A 68 100.551 36.355 12.672 0.00 0.00 O ATOM 1351 O5* G A 68 101.524 34.455 11.387 0.00 0.00 O ATOM 1352 C5* G A 68 101.364 33.231 10.689 0.00 0.00 C ATOM 1353 C4* G A 68 102.701 32.586 10.321 0.00 0.00 C ATOM 1354 O4* G A 68 103.466 33.485 9.528 0.00 0.00 O ATOM 1355 C3* G A 68 103.590 32.143 11.490 0.00 0.00 C ATOM 1356 O3* G A 68 103.203 30.904 12.089 0.00 0.00 O ATOM 1357 C2* G A 68 104.918 32.054 10.724 0.00 0.00 C ATOM 1358 O2* G A 68 104.986 30.848 9.968 0.00 0.00 O ATOM 1359 C1* G A 68 104.841 33.263 9.792 0.00 0.00 C ATOM 1360 N9 G A 68 105.439 34.432 10.475 0.00 0.00 N ATOM 1361 C8 G A 68 104.807 35.467 11.119 0.00 0.00 C ATOM 1362 N7 G A 68 105.611 36.330 11.673 0.00 0.00 N ATOM 1363 C5 G A 68 106.874 35.789 11.425 0.00 0.00 C ATOM 1364 C6 G A 68 108.166 36.210 11.862 0.00 0.00 C ATOM 1365 O6 G A 68 108.453 37.196 12.523 0.00 0.00 O ATOM 1366 N1 G A 68 109.189 35.353 11.508 0.00 0.00 N ATOM 1367 C2 G A 68 109.002 34.211 10.789 0.00 0.00 C ATOM 1368 N2 G A 68 110.074 33.485 10.547 0.00 0.00 N ATOM 1369 N3 G A 68 107.810 33.789 10.349 0.00 0.00 N ATOM 1370 C4 G A 68 106.781 34.620 10.706 0.00 0.00 C ATOM 1371 P G A 69 104.054 30.274 13.314 0.00 0.00 P ATOM 1372 O1P G A 69 104.317 28.852 13.005 0.00 0.00 O ATOM 1373 O2P G A 69 103.264 30.478 14.541 0.00 0.00 O ATOM 1374 O5* G A 69 105.482 31.003 13.558 0.00 0.00 O ATOM 1375 C5* G A 69 106.714 30.431 13.118 0.00 0.00 C ATOM 1376 C4* G A 69 107.974 31.107 13.688 0.00 0.00 C ATOM 1377 O4* G A 69 108.181 32.455 13.287 0.00 0.00 O ATOM 1378 C3* G A 69 108.040 31.145 15.209 0.00 0.00 C ATOM 1379 O3* G A 69 108.163 29.839 15.752 0.00 0.00 O ATOM 1380 C2* G A 69 109.275 32.050 15.359 0.00 0.00 C ATOM 1381 O2* G A 69 110.489 31.372 15.063 0.00 0.00 O ATOM 1382 C1* G A 69 109.038 33.082 14.248 0.00 0.00 C ATOM 1383 N9 G A 69 108.402 34.317 14.777 0.00 0.00 N ATOM 1384 C8 G A 69 107.122 34.762 14.573 0.00 0.00 C ATOM 1385 N7 G A 69 106.810 35.840 15.238 0.00 0.00 N ATOM 1386 C5 G A 69 107.983 36.159 15.930 0.00 0.00 C ATOM 1387 C6 G A 69 108.269 37.202 16.885 0.00 0.00 C ATOM 1388 O6 G A 69 107.518 38.055 17.363 0.00 0.00 O ATOM 1389 N1 G A 69 109.576 37.180 17.341 0.00 0.00 N ATOM 1390 C2 G A 69 110.475 36.211 16.990 0.00 0.00 C ATOM 1391 N2 G A 69 111.602 36.174 17.659 0.00 0.00 N ATOM 1392 N3 G A 69 110.230 35.199 16.155 0.00 0.00 N ATOM 1393 C4 G A 69 108.969 35.239 15.633 0.00 0.00 C ATOM 1394 P U A 70 107.713 29.502 17.248 0.00 0.00 P ATOM 1395 O1P U A 70 107.916 28.060 17.481 0.00 0.00 O ATOM 1396 O2P U A 70 106.354 30.063 17.465 0.00 0.00 O ATOM 1397 O5* U A 70 108.728 30.325 18.171 0.00 0.00 O ATOM 1398 C5* U A 70 110.118 30.028 18.212 0.00 0.00 C ATOM 1399 C4* U A 70 110.865 31.117 18.985 0.00 0.00 C ATOM 1400 O4* U A 70 110.738 32.384 18.353 0.00 0.00 O ATOM 1401 C3* U A 70 110.374 31.255 20.422 0.00 0.00 C ATOM 1402 O3* U A 70 110.958 30.212 21.180 0.00 0.00 O ATOM 1403 C2* U A 70 110.814 32.691 20.705 0.00 0.00 C ATOM 1404 O2* U A 70 112.192 32.834 20.966 0.00 0.00 O ATOM 1405 C1* U A 70 110.606 33.377 19.361 0.00 0.00 C ATOM 1406 N1 U A 70 109.294 34.072 19.312 0.00 0.00 N ATOM 1407 C2 U A 70 109.211 35.299 19.969 0.00 0.00 C ATOM 1408 O2 U A 70 110.160 35.818 20.550 0.00 0.00 O ATOM 1409 N3 U A 70 107.993 35.938 19.938 0.00 0.00 N ATOM 1410 C4 U A 70 106.854 35.499 19.286 0.00 0.00 C ATOM 1411 O4 U A 70 105.799 36.128 19.371 0.00 0.00 O ATOM 1412 C5 U A 70 107.033 34.247 18.574 0.00 0.00 C ATOM 1413 C6 U A 70 108.210 33.570 18.623 0.00 0.00 C ATOM 1414 P A A 71 111.025 30.177 22.780 0.00 0.00 P ATOM 1415 O1P A A 71 110.148 29.083 23.253 0.00 0.00 O ATOM 1416 O2P A A 71 110.887 31.540 23.345 0.00 0.00 O ATOM 1417 O5* A A 71 112.567 29.718 22.883 0.00 0.00 O ATOM 1418 C5* A A 71 112.916 28.345 22.825 0.00 0.00 C ATOM 1419 C4* A A 71 114.097 28.022 21.894 0.00 0.00 C ATOM 1420 O4* A A 71 114.425 26.676 22.210 0.00 0.00 O ATOM 1421 C3* A A 71 113.752 28.081 20.386 0.00 0.00 C ATOM 1422 O3* A A 71 114.279 29.155 19.601 0.00 0.00 O ATOM 1423 C2* A A 71 114.004 26.661 19.834 0.00 0.00 C ATOM 1424 O2* A A 71 114.892 26.516 18.732 0.00 0.00 O ATOM 1425 C1* A A 71 114.461 25.856 21.058 0.00 0.00 C ATOM 1426 N9 A A 71 113.589 24.669 21.243 0.00 0.00 N ATOM 1427 C8 A A 71 112.224 24.619 21.409 0.00 0.00 C ATOM 1428 N7 A A 71 111.721 23.413 21.414 0.00 0.00 N ATOM 1429 C5 A A 71 112.849 22.597 21.275 0.00 0.00 C ATOM 1430 C6 A A 71 113.066 21.197 21.222 0.00 0.00 C ATOM 1431 N6 A A 71 112.123 20.271 21.324 0.00 0.00 N ATOM 1432 N1 A A 71 114.297 20.710 21.052 0.00 0.00 N ATOM 1433 C2 A A 71 115.303 21.571 20.947 0.00 0.00 C ATOM 1434 N3 A A 71 115.256 22.900 20.976 0.00 0.00 N ATOM 1435 C4 A A 71 113.986 23.356 21.158 0.00 0.00 C ATOM 1436 P A A 72 115.808 29.687 19.614 0.00 0.00 P ATOM 1437 O1P A A 72 115.982 30.636 18.494 0.00 0.00 O ATOM 1438 O2P A A 72 116.758 28.561 19.765 0.00 0.00 O ATOM 1439 O5* A A 72 115.884 30.564 20.948 0.00 0.00 O ATOM 1440 C5* A A 72 117.105 30.722 21.636 0.00 0.00 C ATOM 1441 C4* A A 72 117.030 31.820 22.701 0.00 0.00 C ATOM 1442 O4* A A 72 116.997 33.090 22.063 0.00 0.00 O ATOM 1443 C3* A A 72 115.806 31.740 23.618 0.00 0.00 C ATOM 1444 O3* A A 72 116.225 32.315 24.840 0.00 0.00 O ATOM 1445 C2* A A 72 114.798 32.614 22.863 0.00 0.00 C ATOM 1446 O2* A A 72 113.778 33.261 23.602 0.00 0.00 O ATOM 1447 C1* A A 72 115.735 33.678 22.335 0.00 0.00 C ATOM 1448 N9 A A 72 115.183 34.364 21.157 0.00 0.00 N ATOM 1449 C8 A A 72 114.785 33.856 19.943 0.00 0.00 C ATOM 1450 N7 A A 72 114.425 34.771 19.077 0.00 0.00 N ATOM 1451 C5 A A 72 114.569 35.960 19.800 0.00 0.00 C ATOM 1452 C6 A A 72 114.390 37.328 19.502 0.00 0.00 C ATOM 1453 N6 A A 72 114.014 37.774 18.316 0.00 0.00 N ATOM 1454 N1 A A 72 114.582 38.271 20.441 0.00 0.00 N ATOM 1455 C2 A A 72 114.922 37.856 21.657 0.00 0.00 C ATOM 1456 N3 A A 72 115.171 36.626 22.077 0.00 0.00 N ATOM 1457 C4 A A 72 114.969 35.712 21.085 0.00 0.00 C ATOM 1458 P C A 73 115.851 31.626 26.221 0.00 0.00 P ATOM 1459 O1P C A 73 116.427 32.524 27.252 0.00 0.00 O ATOM 1460 O2P C A 73 116.247 30.204 26.149 0.00 0.00 O ATOM 1461 O5* C A 73 114.242 31.737 26.156 0.00 0.00 O ATOM 1462 C5* C A 73 113.450 32.190 27.232 0.00 0.00 C ATOM 1463 C4* C A 73 113.538 33.707 27.453 0.00 0.00 C ATOM 1464 O4* C A 73 112.995 34.486 26.387 0.00 0.00 O ATOM 1465 C3* C A 73 112.743 34.026 28.706 0.00 0.00 C ATOM 1466 O3* C A 73 113.601 33.850 29.836 0.00 0.00 O ATOM 1467 C2* C A 73 112.239 35.453 28.393 0.00 0.00 C ATOM 1468 O2* C A 73 113.144 36.505 28.697 0.00 0.00 O ATOM 1469 C1* C A 73 112.093 35.475 26.878 0.00 0.00 C ATOM 1470 N1 C A 73 110.690 35.253 26.400 0.00 0.00 N ATOM 1471 C2 C A 73 109.728 36.276 26.536 0.00 0.00 C ATOM 1472 O2 C A 73 109.977 37.331 27.128 0.00 0.00 O ATOM 1473 N3 C A 73 108.491 36.124 25.980 0.00 0.00 N ATOM 1474 C4 C A 73 108.218 35.016 25.293 0.00 0.00 C ATOM 1475 N4 C A 73 107.030 34.897 24.746 0.00 0.00 N ATOM 1476 C5 C A 73 109.167 33.976 25.105 0.00 0.00 C ATOM 1477 C6 C A 73 110.381 34.125 25.677 0.00 0.00 C ATOM 1478 P A A 74 113.222 32.906 31.118 0.00 0.00 P ATOM 1479 O1P A A 74 114.488 32.536 31.784 0.00 0.00 O ATOM 1480 O2P A A 74 112.289 31.859 30.650 0.00 0.00 O ATOM 1481 O5* A A 74 112.425 33.925 32.099 0.00 0.00 O ATOM 1482 C5* A A 74 112.213 35.228 31.627 0.00 0.00 C ATOM 1483 C4* A A 74 111.596 36.326 32.466 0.00 0.00 C ATOM 1484 O4* A A 74 111.083 37.198 31.455 0.00 0.00 O ATOM 1485 C3* A A 74 110.455 35.998 33.424 0.00 0.00 C ATOM 1486 O3* A A 74 110.919 35.795 34.746 0.00 0.00 O ATOM 1487 C2* A A 74 109.616 37.278 33.255 0.00 0.00 C ATOM 1488 O2* A A 74 110.181 38.428 33.878 0.00 0.00 O ATOM 1489 C1* A A 74 109.737 37.512 31.755 0.00 0.00 C ATOM 1490 N9 A A 74 108.757 36.720 30.962 0.00 0.00 N ATOM 1491 C8 A A 74 108.775 35.408 30.535 0.00 0.00 C ATOM 1492 N7 A A 74 107.725 35.050 29.847 0.00 0.00 N ATOM 1493 C5 A A 74 106.929 36.199 29.859 0.00 0.00 C ATOM 1494 C6 A A 74 105.634 36.515 29.391 0.00 0.00 C ATOM 1495 N6 A A 74 104.847 35.668 28.751 0.00 0.00 N ATOM 1496 N1 A A 74 105.109 37.732 29.600 0.00 0.00 N ATOM 1497 C2 A A 74 105.854 38.625 30.243 0.00 0.00 C ATOM 1498 N3 A A 74 107.075 38.472 30.745 0.00 0.00 N ATOM 1499 C4 A A 74 107.556 37.218 30.525 0.00 0.00 C ATOM 1500 P G A 75 110.015 35.034 35.827 0.00 0.00 P ATOM 1501 O1P G A 75 110.748 35.011 37.112 0.00 0.00 O ATOM 1502 O2P G A 75 109.522 33.785 35.211 0.00 0.00 O ATOM 1503 O5* G A 75 108.774 36.036 35.960 0.00 0.00 O ATOM 1504 C5* G A 75 108.866 37.230 36.712 0.00 0.00 C ATOM 1505 C4* G A 75 107.530 37.965 36.640 0.00 0.00 C ATOM 1506 O4* G A 75 107.213 38.317 35.296 0.00 0.00 O ATOM 1507 C3* G A 75 106.374 37.105 37.138 0.00 0.00 C ATOM 1508 O3* G A 75 106.279 37.020 38.545 0.00 0.00 O ATOM 1509 C2* G A 75 105.205 37.838 36.490 0.00 0.00 C ATOM 1510 O2* G A 75 104.853 39.063 37.122 0.00 0.00 O ATOM 1511 C1* G A 75 105.812 38.171 35.124 0.00 0.00 C ATOM 1512 N9 G A 75 105.438 37.130 34.134 0.00 0.00 N ATOM 1513 C8 G A 75 106.123 36.076 33.581 0.00 0.00 C ATOM 1514 N7 G A 75 105.424 35.389 32.711 0.00 0.00 N ATOM 1515 C5 G A 75 104.150 35.963 32.757 0.00 0.00 C ATOM 1516 C6 G A 75 102.885 35.607 32.154 0.00 0.00 C ATOM 1517 O6 G A 75 102.598 34.720 31.340 0.00 0.00 O ATOM 1518 N1 G A 75 101.837 36.395 32.619 0.00 0.00 N ATOM 1519 C2 G A 75 101.988 37.413 33.524 0.00 0.00 C ATOM 1520 N2 G A 75 100.944 38.047 33.987 0.00 0.00 N ATOM 1521 N3 G A 75 103.134 37.789 34.055 0.00 0.00 N ATOM 1522 C4 G A 75 104.171 37.017 33.644 0.00 0.00 C ATOM 1523 P G A 76 105.629 35.725 39.233 0.00 0.00 P ATOM 1524 O1P G A 76 105.580 35.964 40.691 0.00 0.00 O ATOM 1525 O2P G A 76 106.314 34.534 38.695 0.00 0.00 O ATOM 1526 O5* G A 76 104.128 35.738 38.656 0.00 0.00 O ATOM 1527 C5* G A 76 103.175 36.671 39.128 0.00 0.00 C ATOM 1528 C4* G A 76 101.806 36.413 38.492 0.00 0.00 C ATOM 1529 O4* G A 76 101.860 36.476 37.068 0.00 0.00 O ATOM 1530 C3* G A 76 101.239 35.043 38.849 0.00 0.00 C ATOM 1531 O3* G A 76 100.683 35.008 40.156 0.00 0.00 O ATOM 1532 C2* G A 76 100.207 34.898 37.727 0.00 0.00 C ATOM 1533 O2* G A 76 99.021 35.654 37.934 0.00 0.00 O ATOM 1534 C1* G A 76 100.926 35.540 36.538 0.00 0.00 C ATOM 1535 N9 G A 76 101.584 34.517 35.689 0.00 0.00 N ATOM 1536 C8 G A 76 102.918 34.288 35.466 0.00 0.00 C ATOM 1537 N7 G A 76 103.158 33.328 34.612 0.00 0.00 N ATOM 1538 C5 G A 76 101.891 32.855 34.258 0.00 0.00 C ATOM 1539 C6 G A 76 101.456 31.792 33.381 0.00 0.00 C ATOM 1540 O6 G A 76 102.093 31.044 32.647 0.00 0.00 O ATOM 1541 N1 G A 76 100.085 31.589 33.397 0.00 0.00 N ATOM 1542 C2 G A 76 99.220 32.400 34.061 0.00 0.00 C ATOM 1543 N2 G A 76 97.945 32.129 33.915 0.00 0.00 N ATOM 1544 N3 G A 76 99.571 33.424 34.836 0.00 0.00 N ATOM 1545 C4 G A 76 100.925 33.587 34.918 0.00 0.00 C ATOM 1546 P A A 77 100.550 33.629 40.974 0.00 0.00 P ATOM 1547 O1P A A 77 99.970 33.929 42.300 0.00 0.00 O ATOM 1548 O2P A A 77 101.832 32.907 40.864 0.00 0.00 O ATOM 1549 O5* A A 77 99.471 32.794 40.129 0.00 0.00 O ATOM 1550 C5* A A 77 98.098 33.125 40.127 0.00 0.00 C ATOM 1551 C4* A A 77 97.356 32.230 39.127 0.00 0.00 C ATOM 1552 O4* A A 77 97.936 32.374 37.834 0.00 0.00 O ATOM 1553 C3* A A 77 97.385 30.744 39.495 0.00 0.00 C ATOM 1554 O3* A A 77 96.299 30.389 40.337 0.00 0.00 O ATOM 1555 C2* A A 77 97.334 30.080 38.118 0.00 0.00 C ATOM 1556 O2* A A 77 96.039 29.959 37.555 0.00 0.00 O ATOM 1557 C1* A A 77 98.066 31.091 37.245 0.00 0.00 C ATOM 1558 N9 A A 77 99.471 30.688 37.026 0.00 0.00 N ATOM 1559 C8 A A 77 100.647 31.119 37.598 0.00 0.00 C ATOM 1560 N7 A A 77 101.717 30.600 37.056 0.00 0.00 N ATOM 1561 C5 A A 77 101.207 29.744 36.078 0.00 0.00 C ATOM 1562 C6 A A 77 101.769 28.884 35.109 0.00 0.00 C ATOM 1563 N6 A A 77 103.065 28.727 34.913 0.00 0.00 N ATOM 1564 N1 A A 77 100.978 28.171 34.291 0.00 0.00 N ATOM 1565 C2 A A 77 99.666 28.312 34.411 0.00 0.00 C ATOM 1566 N3 A A 77 99.002 29.092 35.249 0.00 0.00 N ATOM 1567 C4 A A 77 99.841 29.779 36.073 0.00 0.00 C ATOM 1568 P A A 78 96.290 29.011 41.165 0.00 0.00 P ATOM 1569 O1P A A 78 95.211 29.105 42.170 0.00 0.00 O ATOM 1570 O2P A A 78 97.676 28.725 41.583 0.00 0.00 O ATOM 1571 O5* A A 78 95.867 27.910 40.061 0.00 0.00 O ATOM 1572 C5* A A 78 94.507 27.704 39.720 0.00 0.00 C ATOM 1573 C4* A A 78 94.329 26.582 38.689 0.00 0.00 C ATOM 1574 O4* A A 78 95.168 26.770 37.549 0.00 0.00 O ATOM 1575 C3* A A 78 94.618 25.175 39.211 0.00 0.00 C ATOM 1576 O3* A A 78 93.585 24.648 40.025 0.00 0.00 O ATOM 1577 C2* A A 78 94.775 24.447 37.872 0.00 0.00 C ATOM 1578 O2* A A 78 93.556 24.235 37.170 0.00 0.00 O ATOM 1579 C1* A A 78 95.564 25.483 37.076 0.00 0.00 C ATOM 1580 N9 A A 78 97.017 25.279 37.269 0.00 0.00 N ATOM 1581 C8 A A 78 97.878 25.934 38.118 0.00 0.00 C ATOM 1582 N7 A A 78 99.118 25.536 38.034 0.00 0.00 N ATOM 1583 C5 A A 78 99.060 24.518 37.080 0.00 0.00 C ATOM 1584 C6 A A 78 100.016 23.643 36.527 0.00 0.00 C ATOM 1585 N6 A A 78 101.292 23.660 36.870 0.00 0.00 N ATOM 1586 N1 A A 78 99.658 22.727 35.615 0.00 0.00 N ATOM 1587 C2 A A 78 98.378 22.681 35.256 0.00 0.00 C ATOM 1588 N3 A A 78 97.371 23.436 35.687 0.00 0.00 N ATOM 1589 C4 A A 78 97.786 24.348 36.612 0.00 0.00 C ATOM 1590 P G A 79 93.850 23.383 40.982 0.00 0.00 P ATOM 1591 O1P G A 79 92.618 23.131 41.758 0.00 0.00 O ATOM 1592 O2P G A 79 95.138 23.597 41.672 0.00 0.00 O ATOM 1593 O5* G A 79 94.053 22.179 39.938 0.00 0.00 O ATOM 1594 C5* G A 79 92.960 21.595 39.258 0.00 0.00 C ATOM 1595 C4* G A 79 93.462 20.495 38.319 0.00 0.00 C ATOM 1596 O4* G A 79 94.428 21.009 37.402 0.00 0.00 O ATOM 1597 C3* G A 79 94.134 19.339 39.056 0.00 0.00 C ATOM 1598 O3* G A 79 93.223 18.432 39.651 0.00 0.00 O ATOM 1599 C2* G A 79 94.948 18.742 37.906 0.00 0.00 C ATOM 1600 O2* G A 79 94.176 18.019 36.953 0.00 0.00 O ATOM 1601 C1* G A 79 95.440 20.022 37.225 0.00 0.00 C ATOM 1602 N9 G A 79 96.754 20.434 37.783 0.00 0.00 N ATOM 1603 C8 G A 79 97.096 21.431 38.665 0.00 0.00 C ATOM 1604 N7 G A 79 98.381 21.520 38.895 0.00 0.00 N ATOM 1605 C5 G A 79 98.938 20.470 38.159 0.00 0.00 C ATOM 1606 C6 G A 79 100.293 19.984 38.021 0.00 0.00 C ATOM 1607 O6 G A 79 101.347 20.403 38.504 0.00 0.00 O ATOM 1608 N1 G A 79 100.379 18.858 37.216 0.00 0.00 N ATOM 1609 C2 G A 79 99.302 18.274 36.606 0.00 0.00 C ATOM 1610 N2 G A 79 99.480 17.183 35.905 0.00 0.00 N ATOM 1611 N3 G A 79 98.052 18.707 36.693 0.00 0.00 N ATOM 1612 C4 G A 79 97.934 19.805 37.488 0.00 0.00 C ATOM 1613 P A A 80 93.683 17.491 40.871 0.00 0.00 P ATOM 1614 O1P A A 80 92.515 16.699 41.310 0.00 0.00 O ATOM 1615 O2P A A 80 94.422 18.326 41.838 0.00 0.00 O ATOM 1616 O5* A A 80 94.741 16.499 40.172 0.00 0.00 O ATOM 1617 C5* A A 80 94.310 15.460 39.314 0.00 0.00 C ATOM 1618 C4* A A 80 95.499 14.639 38.800 0.00 0.00 C ATOM 1619 O4* A A 80 96.441 15.448 38.095 0.00 0.00 O ATOM 1620 C3* A A 80 96.270 13.934 39.911 0.00 0.00 C ATOM 1621 O3* A A 80 95.634 12.752 40.367 0.00 0.00 O ATOM 1622 C2* A A 80 97.607 13.698 39.201 0.00 0.00 C ATOM 1623 O2* A A 80 97.613 12.640 38.257 0.00 0.00 O ATOM 1624 C1* A A 80 97.755 14.977 38.389 0.00 0.00 C ATOM 1625 N9 A A 80 98.536 15.974 39.151 0.00 0.00 N ATOM 1626 C8 A A 80 98.093 17.075 39.843 0.00 0.00 C ATOM 1627 N7 A A 80 99.048 17.787 40.376 0.00 0.00 N ATOM 1628 C5 A A 80 100.204 17.080 40.041 0.00 0.00 C ATOM 1629 C6 A A 80 101.579 17.266 40.302 0.00 0.00 C ATOM 1630 N6 A A 80 102.051 18.305 40.967 0.00 0.00 N ATOM 1631 N1 A A 80 102.483 16.376 39.867 0.00 0.00 N ATOM 1632 C2 A A 80 102.041 15.343 39.158 0.00 0.00 C ATOM 1633 N3 A A 80 100.788 15.049 38.822 0.00 0.00 N ATOM 1634 C4 A A 80 99.904 15.967 39.305 0.00 0.00 C ATOM 1635 P A A 81 96.143 12.010 41.697 0.00 0.00 P ATOM 1636 O1P A A 81 95.233 10.885 41.995 0.00 0.00 O ATOM 1637 O2P A A 81 96.421 13.039 42.721 0.00 0.00 O ATOM 1638 O5* A A 81 97.551 11.411 41.198 0.00 0.00 O ATOM 1639 C5* A A 81 98.592 11.146 42.119 0.00 0.00 C ATOM 1640 C4* A A 81 99.888 10.868 41.356 0.00 0.00 C ATOM 1641 O4* A A 81 100.371 12.037 40.698 0.00 0.00 O ATOM 1642 C3* A A 81 101.002 10.412 42.292 0.00 0.00 C ATOM 1643 O3* A A 81 100.936 9.023 42.555 0.00 0.00 O ATOM 1644 C2* A A 81 102.244 10.838 41.509 0.00 0.00 C ATOM 1645 O2* A A 81 102.553 9.991 40.409 0.00 0.00 O ATOM 1646 C1* A A 81 101.767 12.177 40.938 0.00 0.00 C ATOM 1647 N9 A A 81 101.977 13.315 41.864 0.00 0.00 N ATOM 1648 C8 A A 81 101.032 14.192 42.348 0.00 0.00 C ATOM 1649 N7 A A 81 101.516 15.170 43.057 0.00 0.00 N ATOM 1650 C5 A A 81 102.886 14.916 43.043 0.00 0.00 C ATOM 1651 C6 A A 81 103.989 15.587 43.596 0.00 0.00 C ATOM 1652 N6 A A 81 103.835 16.693 44.303 0.00 0.00 N ATOM 1653 N1 A A 81 105.233 15.128 43.401 0.00 0.00 N ATOM 1654 C2 A A 81 105.376 14.008 42.696 0.00 0.00 C ATOM 1655 N3 A A 81 104.428 13.272 42.119 0.00 0.00 N ATOM 1656 C4 A A 81 103.185 13.790 42.328 0.00 0.00 C ATOM 1657 P G A 82 100.945 8.463 44.056 0.00 0.00 P ATOM 1658 O1P G A 82 100.591 7.029 44.010 0.00 0.00 O ATOM 1659 O2P G A 82 100.175 9.401 44.898 0.00 0.00 O ATOM 1660 O5* G A 82 102.499 8.599 44.439 0.00 0.00 O ATOM 1661 C5* G A 82 103.450 7.691 43.912 0.00 0.00 C ATOM 1662 C4* G A 82 104.878 8.150 44.207 0.00 0.00 C ATOM 1663 O4* G A 82 105.084 9.412 43.576 0.00 0.00 O ATOM 1664 C3* G A 82 105.230 8.325 45.687 0.00 0.00 C ATOM 1665 O3* G A 82 105.611 7.131 46.356 0.00 0.00 O ATOM 1666 C2* G A 82 106.398 9.310 45.540 0.00 0.00 C ATOM 1667 O2* G A 82 107.635 8.727 45.162 0.00 0.00 O ATOM 1668 C1* G A 82 105.959 10.181 44.379 0.00 0.00 C ATOM 1669 N9 G A 82 105.322 11.394 44.930 0.00 0.00 N ATOM 1670 C8 G A 82 104.003 11.683 45.164 0.00 0.00 C ATOM 1671 N7 G A 82 103.812 12.824 45.776 0.00 0.00 N ATOM 1672 C5 G A 82 105.104 13.323 45.976 0.00 0.00 C ATOM 1673 C6 G A 82 105.593 14.524 46.603 0.00 0.00 C ATOM 1674 O6 G A 82 104.983 15.461 47.116 0.00 0.00 O ATOM 1675 N1 G A 82 106.976 14.587 46.640 0.00 0.00 N ATOM 1676 C2 G A 82 107.803 13.650 46.084 0.00 0.00 C ATOM 1677 N2 G A 82 109.073 13.683 46.412 0.00 0.00 N ATOM 1678 N3 G A 82 107.384 12.547 45.480 0.00 0.00 N ATOM 1679 C4 G A 82 106.026 12.443 45.455 0.00 0.00 C ATOM 1680 P C A 83 105.735 7.078 47.966 0.00 0.00 P ATOM 1681 O1P C A 83 106.587 5.923 48.315 0.00 0.00 O ATOM 1682 O2P C A 83 104.389 7.225 48.555 0.00 0.00 O ATOM 1683 O5* C A 83 106.558 8.424 48.269 0.00 0.00 O ATOM 1684 C5* C A 83 107.504 8.544 49.311 0.00 0.00 C ATOM 1685 C4* C A 83 108.215 9.913 49.234 0.00 0.00 C ATOM 1686 O4* C A 83 107.583 10.861 48.369 0.00 0.00 O ATOM 1687 C3* C A 83 108.308 10.605 50.592 0.00 0.00 C ATOM 1688 O3* C A 83 109.421 10.175 51.350 0.00 0.00 O ATOM 1689 C2* C A 83 108.434 12.070 50.184 0.00 0.00 C ATOM 1690 O2* C A 83 109.715 12.423 49.670 0.00 0.00 O ATOM 1691 C1* C A 83 107.447 12.119 49.020 0.00 0.00 C ATOM 1692 N1 C A 83 106.020 12.390 49.401 0.00 0.00 N ATOM 1693 C2 C A 83 105.693 13.661 49.897 0.00 0.00 C ATOM 1694 O2 C A 83 106.579 14.472 50.149 0.00 0.00 O ATOM 1695 N3 C A 83 104.392 13.999 50.107 0.00 0.00 N ATOM 1696 C4 C A 83 103.438 13.133 49.816 0.00 0.00 C ATOM 1697 N4 C A 83 102.206 13.520 50.066 0.00 0.00 N ATOM 1698 C5 C A 83 103.713 11.818 49.339 0.00 0.00 C ATOM 1699 C6 C A 83 105.013 11.487 49.140 0.00 0.00 C ATOM 1700 P U A 84 109.270 9.271 52.663 0.00 0.00 P ATOM 1701 O1P U A 84 110.211 8.140 52.542 0.00 0.00 O ATOM 1702 O2P U A 84 107.833 9.013 52.909 0.00 0.00 O ATOM 1703 O5* U A 84 109.828 10.258 53.815 0.00 0.00 O ATOM 1704 C5* U A 84 108.988 10.957 54.719 0.00 0.00 C ATOM 1705 C4* U A 84 108.686 12.404 54.295 0.00 0.00 C ATOM 1706 O4* U A 84 107.629 12.444 53.339 0.00 0.00 O ATOM 1707 C3* U A 84 108.211 13.204 55.516 0.00 0.00 C ATOM 1708 O3* U A 84 108.598 14.562 55.337 0.00 0.00 O ATOM 1709 C2* U A 84 106.707 12.940 55.425 0.00 0.00 C ATOM 1710 O2* U A 84 105.932 13.790 56.247 0.00 0.00 O ATOM 1711 C1* U A 84 106.492 13.074 53.917 0.00 0.00 C ATOM 1712 N1 U A 84 105.211 12.461 53.460 0.00 0.00 N ATOM 1713 C2 U A 84 104.032 13.197 53.625 0.00 0.00 C ATOM 1714 O2 U A 84 104.006 14.279 54.207 0.00 0.00 O ATOM 1715 N3 U A 84 102.860 12.636 53.140 0.00 0.00 N ATOM 1716 C4 U A 84 102.763 11.397 52.538 0.00 0.00 C ATOM 1717 O4 U A 84 101.681 11.012 52.118 0.00 0.00 O ATOM 1718 C5 U A 84 104.010 10.664 52.466 0.00 0.00 C ATOM 1719 C6 U A 84 105.173 11.195 52.920 0.00 0.00 C ATOM 1720 P U A 85 108.857 15.546 56.594 0.00 0.00 P ATOM 1721 O1P U A 85 109.962 16.458 56.226 0.00 0.00 O ATOM 1722 O2P U A 85 108.977 14.730 57.822 0.00 0.00 O ATOM 1723 O5* U A 85 107.518 16.434 56.699 0.00 0.00 O ATOM 1724 C5* U A 85 107.384 17.633 55.959 0.00 0.00 C ATOM 1725 C4* U A 85 106.117 18.412 56.344 0.00 0.00 C ATOM 1726 O4* U A 85 105.962 18.467 57.761 0.00 0.00 O ATOM 1727 C3* U A 85 106.252 19.862 55.865 0.00 0.00 C ATOM 1728 O3* U A 85 104.988 20.399 55.528 0.00 0.00 O ATOM 1729 C2* U A 85 106.867 20.547 57.086 0.00 0.00 C ATOM 1730 O2* U A 85 106.651 21.952 57.109 0.00 0.00 O ATOM 1731 C1* U A 85 106.214 19.780 58.238 0.00 0.00 C ATOM 1732 N1 U A 85 107.087 19.733 59.446 0.00 0.00 N ATOM 1733 C2 U A 85 106.753 20.522 60.554 0.00 0.00 C ATOM 1734 O2 U A 85 105.765 21.247 60.586 0.00 0.00 O ATOM 1735 N3 U A 85 107.609 20.483 61.643 0.00 0.00 N ATOM 1736 C4 U A 85 108.788 19.768 61.704 0.00 0.00 C ATOM 1737 O4 U A 85 109.488 19.837 62.704 0.00 0.00 O ATOM 1738 C5 U A 85 109.074 18.980 60.523 0.00 0.00 C ATOM 1739 C6 U A 85 108.234 18.970 59.456 0.00 0.00 C ATOM 1740 P G A 86 104.608 20.581 53.985 0.00 0.00 P ATOM 1741 O1P G A 86 103.311 21.274 53.876 0.00 0.00 O ATOM 1742 O2P G A 86 104.826 19.286 53.307 0.00 0.00 O ATOM 1743 O5* G A 86 105.755 21.596 53.498 0.00 0.00 O ATOM 1744 C5* G A 86 106.149 21.621 52.141 0.00 0.00 C ATOM 1745 C4* G A 86 106.977 22.864 51.778 0.00 0.00 C ATOM 1746 O4* G A 86 106.459 24.031 52.413 0.00 0.00 O ATOM 1747 C3* G A 86 108.450 22.718 52.204 0.00 0.00 C ATOM 1748 O3* G A 86 109.328 23.417 51.330 0.00 0.00 O ATOM 1749 C2* G A 86 108.389 23.397 53.580 0.00 0.00 C ATOM 1750 O2* G A 86 109.648 23.805 54.095 0.00 0.00 O ATOM 1751 C1* G A 86 107.464 24.570 53.261 0.00 0.00 C ATOM 1752 N9 G A 86 106.852 25.196 54.460 0.00 0.00 N ATOM 1753 C8 G A 86 105.828 24.714 55.236 0.00 0.00 C ATOM 1754 N7 G A 86 105.437 25.532 56.176 0.00 0.00 N ATOM 1755 C5 G A 86 106.266 26.645 56.025 0.00 0.00 C ATOM 1756 C6 G A 86 106.325 27.894 56.744 0.00 0.00 C ATOM 1757 O6 G A 86 105.639 28.297 57.677 0.00 0.00 O ATOM 1758 N1 G A 86 107.312 28.756 56.291 0.00 0.00 N ATOM 1759 C2 G A 86 108.154 28.447 55.259 0.00 0.00 C ATOM 1760 N2 G A 86 109.056 29.346 54.919 0.00 0.00 N ATOM 1761 N3 G A 86 108.126 27.302 54.567 0.00 0.00 N ATOM 1762 C4 G A 86 107.154 26.436 54.990 0.00 0.00 C ATOM 1763 P C A 87 109.691 22.909 49.840 0.00 0.00 P ATOM 1764 O1P C A 87 110.699 23.848 49.310 0.00 0.00 O ATOM 1765 O2P C A 87 108.433 22.680 49.100 0.00 0.00 O ATOM 1766 O5* C A 87 110.372 21.465 50.049 0.00 0.00 O ATOM 1767 C5* C A 87 111.741 21.288 50.365 0.00 0.00 C ATOM 1768 C4* C A 87 112.209 19.890 49.920 0.00 0.00 C ATOM 1769 O4* C A 87 111.511 18.830 50.580 0.00 0.00 O ATOM 1770 C3* C A 87 112.035 19.669 48.417 0.00 0.00 C ATOM 1771 O3* C A 87 113.110 20.205 47.657 0.00 0.00 O ATOM 1772 C2* C A 87 111.937 18.141 48.366 0.00 0.00 C ATOM 1773 O2* C A 87 113.191 17.484 48.520 0.00 0.00 O ATOM 1774 C1* C A 87 111.115 17.838 49.627 0.00 0.00 C ATOM 1775 N1 C A 87 109.630 17.841 49.397 0.00 0.00 N ATOM 1776 C2 C A 87 109.040 16.841 48.598 0.00 0.00 C ATOM 1777 O2 C A 87 109.702 15.933 48.080 0.00 0.00 O ATOM 1778 N3 C A 87 107.697 16.853 48.376 0.00 0.00 N ATOM 1779 C4 C A 87 106.941 17.768 48.981 0.00 0.00 C ATOM 1780 N4 C A 87 105.643 17.740 48.787 0.00 0.00 N ATOM 1781 C5 C A 87 107.480 18.767 49.831 0.00 0.00 C ATOM 1782 C6 C A 87 108.821 18.767 50.021 0.00 0.00 C ATOM 1783 P U A 88 112.878 20.822 46.185 0.00 0.00 P ATOM 1784 O1P U A 88 114.156 21.404 45.723 0.00 0.00 O ATOM 1785 O2P U A 88 111.653 21.641 46.214 0.00 0.00 O ATOM 1786 O5* U A 88 112.556 19.540 45.272 0.00 0.00 O ATOM 1787 C5* U A 88 113.575 18.659 44.846 0.00 0.00 C ATOM 1788 C4* U A 88 112.963 17.423 44.174 0.00 0.00 C ATOM 1789 O4* U A 88 112.025 16.829 45.072 0.00 0.00 O ATOM 1790 C3* U A 88 112.227 17.679 42.854 0.00 0.00 C ATOM 1791 O3* U A 88 113.053 17.660 41.700 0.00 0.00 O ATOM 1792 C2* U A 88 111.259 16.496 42.861 0.00 0.00 C ATOM 1793 O2* U A 88 111.824 15.259 42.466 0.00 0.00 O ATOM 1794 C1* U A 88 110.925 16.318 44.332 0.00 0.00 C ATOM 1795 N1 U A 88 109.614 16.951 44.626 0.00 0.00 N ATOM 1796 C2 U A 88 108.485 16.296 44.128 0.00 0.00 C ATOM 1797 O2 U A 88 108.530 15.268 43.456 0.00 0.00 O ATOM 1798 N3 U A 88 107.267 16.854 44.418 0.00 0.00 N ATOM 1799 C4 U A 88 107.047 17.982 45.169 0.00 0.00 C ATOM 1800 O4 U A 88 105.894 18.336 45.386 0.00 0.00 O ATOM 1801 C5 U A 88 108.260 18.638 45.617 0.00 0.00 C ATOM 1802 C6 U A 88 109.488 18.127 45.334 0.00 0.00 C ATOM 1803 P U A 89 112.483 18.086 40.252 0.00 0.00 P ATOM 1804 O1P U A 89 113.606 18.020 39.295 0.00 0.00 O ATOM 1805 O2P U A 89 111.722 19.339 40.424 0.00 0.00 O ATOM 1806 O5* U A 89 111.421 16.922 39.874 0.00 0.00 O ATOM 1807 C5* U A 89 111.823 15.710 39.258 0.00 0.00 C ATOM 1808 C4* U A 89 110.609 14.838 38.904 0.00 0.00 C ATOM 1809 O4* U A 89 109.724 14.633 40.006 0.00 0.00 O ATOM 1810 C3* U A 89 109.743 15.429 37.799 0.00 0.00 C ATOM 1811 O3* U A 89 110.326 15.330 36.514 0.00 0.00 O ATOM 1812 C2* U A 89 108.487 14.573 37.974 0.00 0.00 C ATOM 1813 O2* U A 89 108.631 13.232 37.524 0.00 0.00 O ATOM 1814 C1* U A 89 108.386 14.536 39.501 0.00 0.00 C ATOM 1815 N1 U A 89 107.489 15.625 39.994 0.00 0.00 N ATOM 1816 C2 U A 89 106.109 15.449 39.845 0.00 0.00 C ATOM 1817 O2 U A 89 105.609 14.495 39.253 0.00 0.00 O ATOM 1818 N3 U A 89 105.295 16.421 40.389 0.00 0.00 N ATOM 1819 C4 U A 89 105.709 17.561 41.036 0.00 0.00 C ATOM 1820 O4 U A 89 104.874 18.355 41.459 0.00 0.00 O ATOM 1821 C5 U A 89 107.148 17.714 41.092 0.00 0.00 C ATOM 1822 C6 U A 89 107.983 16.775 40.572 0.00 0.00 C ATOM 1823 P C A 90 109.860 16.306 35.328 0.00 0.00 P ATOM 1824 O1P C A 90 110.698 16.031 34.144 0.00 0.00 O ATOM 1825 O2P C A 90 109.763 17.673 35.879 0.00 0.00 O ATOM 1826 O5* C A 90 108.366 15.811 35.022 0.00 0.00 O ATOM 1827 C5* C A 90 108.088 14.591 34.365 0.00 0.00 C ATOM 1828 C4* C A 90 106.570 14.423 34.197 0.00 0.00 C ATOM 1829 O4* C A 90 105.878 14.429 35.449 0.00 0.00 O ATOM 1830 C3* C A 90 105.939 15.533 33.362 0.00 0.00 C ATOM 1831 O3* C A 90 106.138 15.362 31.970 0.00 0.00 O ATOM 1832 C2* C A 90 104.479 15.412 33.811 0.00 0.00 C ATOM 1833 O2* C A 90 103.785 14.296 33.275 0.00 0.00 O ATOM 1834 C1* C A 90 104.635 15.127 35.302 0.00 0.00 C ATOM 1835 N1 C A 90 104.575 16.384 36.110 0.00 0.00 N ATOM 1836 C2 C A 90 103.325 16.976 36.374 0.00 0.00 C ATOM 1837 O2 C A 90 102.273 16.534 35.902 0.00 0.00 O ATOM 1838 N3 C A 90 103.252 18.073 37.172 0.00 0.00 N ATOM 1839 C4 C A 90 104.363 18.558 37.716 0.00 0.00 C ATOM 1840 N4 C A 90 104.233 19.587 38.517 0.00 0.00 N ATOM 1841 C5 C A 90 105.653 18.015 37.457 0.00 0.00 C ATOM 1842 C6 C A 90 105.717 16.945 36.632 0.00 0.00 C ATOM 1843 P U A 91 105.977 16.598 30.955 0.00 0.00 P ATOM 1844 O1P U A 91 106.372 16.144 29.607 0.00 0.00 O ATOM 1845 O2P U A 91 106.613 17.782 31.568 0.00 0.00 O ATOM 1846 O5* U A 91 104.393 16.851 30.969 0.00 0.00 O ATOM 1847 C5* U A 91 103.493 15.980 30.313 0.00 0.00 C ATOM 1848 C4* U A 91 102.056 16.432 30.591 0.00 0.00 C ATOM 1849 O4* U A 91 101.829 16.555 31.997 0.00 0.00 O ATOM 1850 C3* U A 91 101.732 17.791 29.974 0.00 0.00 C ATOM 1851 O3* U A 91 101.363 17.733 28.605 0.00 0.00 O ATOM 1852 C2* U A 91 100.555 18.212 30.859 0.00 0.00 C ATOM 1853 O2* U A 91 99.328 17.567 30.531 0.00 0.00 O ATOM 1854 C1* U A 91 100.968 17.671 32.230 0.00 0.00 C ATOM 1855 N1 U A 91 101.567 18.737 33.088 0.00 0.00 N ATOM 1856 C2 U A 91 100.683 19.628 33.707 0.00 0.00 C ATOM 1857 O2 U A 91 99.471 19.633 33.500 0.00 0.00 O ATOM 1858 N3 U A 91 101.229 20.543 34.582 0.00 0.00 N ATOM 1859 C4 U A 91 102.558 20.674 34.903 0.00 0.00 C ATOM 1860 O4 U A 91 102.898 21.549 35.693 0.00 0.00 O ATOM 1861 C5 U A 91 103.423 19.751 34.193 0.00 0.00 C ATOM 1862 C6 U A 91 102.924 18.843 33.310 0.00 0.00 C ATOM 1863 P U A 92 101.848 18.848 27.549 0.00 0.00 P ATOM 1864 O1P U A 92 100.808 18.967 26.507 0.00 0.00 O ATOM 1865 O2P U A 92 103.241 18.554 27.160 0.00 0.00 O ATOM 1866 O5* U A 92 101.867 20.215 28.413 0.00 0.00 O ATOM 1867 C5* U A 92 101.248 21.415 27.981 0.00 0.00 C ATOM 1868 C4* U A 92 99.959 21.695 28.763 0.00 0.00 C ATOM 1869 O4* U A 92 100.204 21.756 30.170 0.00 0.00 O ATOM 1870 C3* U A 92 99.391 23.060 28.373 0.00 0.00 C ATOM 1871 O3* U A 92 98.618 23.034 27.178 0.00 0.00 O ATOM 1872 C2* U A 92 98.616 23.423 29.646 0.00 0.00 C ATOM 1873 O2* U A 92 97.381 22.730 29.773 0.00 0.00 O ATOM 1874 C1* U A 92 99.548 22.887 30.740 0.00 0.00 C ATOM 1875 N1 U A 92 100.531 23.898 31.250 0.00 0.00 N ATOM 1876 C2 U A 92 100.076 24.895 32.128 0.00 0.00 C ATOM 1877 O2 U A 92 98.892 25.043 32.420 0.00 0.00 O ATOM 1878 N3 U A 92 101.035 25.736 32.676 0.00 0.00 N ATOM 1879 C4 U A 92 102.392 25.680 32.449 0.00 0.00 C ATOM 1880 O4 U A 92 103.149 26.459 33.021 0.00 0.00 O ATOM 1881 C5 U A 92 102.786 24.640 31.525 0.00 0.00 C ATOM 1882 C6 U A 92 101.878 23.798 30.964 0.00 0.00 C ATOM 1883 P U A 93 98.544 24.310 26.196 0.00 0.00 P ATOM 1884 O1P U A 93 97.652 24.011 25.056 0.00 0.00 O ATOM 1885 O2P U A 93 99.927 24.754 25.914 0.00 0.00 O ATOM 1886 O5* U A 93 97.828 25.412 27.125 0.00 0.00 O ATOM 1887 C5* U A 93 96.475 25.285 27.534 0.00 0.00 C ATOM 1888 C4* U A 93 96.072 26.418 28.491 0.00 0.00 C ATOM 1889 O4* U A 93 96.824 26.401 29.707 0.00 0.00 O ATOM 1890 C3* U A 93 96.234 27.812 27.887 0.00 0.00 C ATOM 1891 O3* U A 93 95.153 28.144 27.017 0.00 0.00 O ATOM 1892 C2* U A 93 96.279 28.637 29.184 0.00 0.00 C ATOM 1893 O2* U A 93 94.983 28.810 29.755 0.00 0.00 O ATOM 1894 C1* U A 93 97.083 27.740 30.138 0.00 0.00 C ATOM 1895 N1 U A 93 98.549 28.055 30.142 0.00 0.00 N ATOM 1896 C2 U A 93 99.047 29.069 30.986 0.00 0.00 C ATOM 1897 O2 U A 93 98.352 29.734 31.760 0.00 0.00 O ATOM 1898 N3 U A 93 100.416 29.305 30.940 0.00 0.00 N ATOM 1899 C4 U A 93 101.326 28.612 30.179 0.00 0.00 C ATOM 1900 O4 U A 93 102.509 28.911 30.222 0.00 0.00 O ATOM 1901 C5 U A 93 100.753 27.567 29.370 0.00 0.00 C ATOM 1902 C6 U A 93 99.420 27.322 29.363 0.00 0.00 C ATOM 1903 P G A 94 95.305 29.171 25.791 0.00 0.00 P ATOM 1904 O1P G A 94 93.971 29.502 25.242 0.00 0.00 O ATOM 1905 O2P G A 94 96.335 28.666 24.858 0.00 0.00 O ATOM 1906 O5* G A 94 95.877 30.522 26.411 0.00 0.00 O ATOM 1907 C5* G A 94 95.153 31.304 27.342 0.00 0.00 C ATOM 1908 C4* G A 94 96.018 32.496 27.774 0.00 0.00 C ATOM 1909 O4* G A 94 97.282 32.044 28.271 0.00 0.00 O ATOM 1910 C3* G A 94 96.283 33.450 26.603 0.00 0.00 C ATOM 1911 O3* G A 94 96.197 34.803 27.018 0.00 0.00 O ATOM 1912 C2* G A 94 97.684 33.028 26.162 0.00 0.00 C ATOM 1913 O2* G A 94 98.414 34.055 25.508 0.00 0.00 O ATOM 1914 C1* G A 94 98.342 32.542 27.459 0.00 0.00 C ATOM 1915 N9 G A 94 99.336 31.462 27.201 0.00 0.00 N ATOM 1916 C8 G A 94 99.116 30.302 26.498 0.00 0.00 C ATOM 1917 N7 G A 94 100.169 29.561 26.329 0.00 0.00 N ATOM 1918 C5 G A 94 101.180 30.256 26.992 0.00 0.00 C ATOM 1919 C6 G A 94 102.573 29.934 27.155 0.00 0.00 C ATOM 1920 O6 G A 94 103.207 28.977 26.721 0.00 0.00 O ATOM 1921 N1 G A 94 103.272 30.860 27.906 0.00 0.00 N ATOM 1922 C2 G A 94 102.700 31.979 28.437 0.00 0.00 C ATOM 1923 N2 G A 94 103.509 32.715 29.174 0.00 0.00 N ATOM 1924 N3 G A 94 101.406 32.330 28.282 0.00 0.00 N ATOM 1925 C4 G A 94 100.683 31.421 27.547 0.00 0.00 C ATOM 1926 P C A 95 94.763 35.514 27.150 0.00 0.00 P ATOM 1927 O1P C A 95 93.715 34.502 26.880 0.00 0.00 O ATOM 1928 O2P C A 95 94.818 36.753 26.343 0.00 0.00 O ATOM 1929 O5* C A 95 94.742 35.892 28.714 0.00 0.00 O ATOM 1930 C5* C A 95 93.732 36.721 29.270 0.00 0.00 C ATOM 1931 C4* C A 95 94.279 37.534 30.451 0.00 0.00 C ATOM 1932 O4* C A 95 94.613 36.711 31.567 0.00 0.00 O ATOM 1933 C3* C A 95 95.523 38.346 30.077 0.00 0.00 C ATOM 1934 O3* C A 95 95.172 39.566 29.421 0.00 0.00 O ATOM 1935 C2* C A 95 96.157 38.486 31.468 0.00 0.00 C ATOM 1936 O2* C A 95 95.506 39.455 32.279 0.00 0.00 O ATOM 1937 C1* C A 95 95.882 37.102 32.085 0.00 0.00 C ATOM 1938 N1 C A 95 96.930 36.065 31.784 0.00 0.00 N ATOM 1939 C2 C A 95 98.249 36.267 32.220 0.00 0.00 C ATOM 1940 O2 C A 95 98.559 37.247 32.898 0.00 0.00 O ATOM 1941 N3 C A 95 99.225 35.374 31.892 0.00 0.00 N ATOM 1942 C4 C A 95 98.897 34.256 31.257 0.00 0.00 C ATOM 1943 N4 C A 95 99.875 33.457 30.899 0.00 0.00 N ATOM 1944 C5 C A 95 97.551 33.934 30.924 0.00 0.00 C ATOM 1945 C6 C A 95 96.604 34.869 31.183 0.00 0.00 C ATOM 1946 P U A 96 96.166 40.355 28.424 0.00 0.00 P ATOM 1947 O1P U A 96 95.373 41.400 27.716 0.00 0.00 O ATOM 1948 O2P U A 96 96.922 39.354 27.630 0.00 0.00 O ATOM 1949 O5* U A 96 97.264 41.046 29.374 0.00 0.00 O ATOM 1950 C5* U A 96 96.947 42.003 30.367 0.00 0.00 C ATOM 1951 C4* U A 96 98.186 42.244 31.247 0.00 0.00 C ATOM 1952 O4* U A 96 98.631 40.999 31.796 0.00 0.00 O ATOM 1953 C3* U A 96 99.363 42.879 30.495 0.00 0.00 C ATOM 1954 O3* U A 96 99.369 44.314 30.484 0.00 0.00 O ATOM 1955 C2* U A 96 100.533 42.309 31.309 0.00 0.00 C ATOM 1956 O2* U A 96 100.765 43.023 32.520 0.00 0.00 O ATOM 1957 C1* U A 96 100.051 40.907 31.711 0.00 0.00 C ATOM 1958 N1 U A 96 100.538 39.808 30.811 0.00 0.00 N ATOM 1959 C2 U A 96 101.908 39.507 30.838 0.00 0.00 C ATOM 1960 O2 U A 96 102.726 40.141 31.500 0.00 0.00 O ATOM 1961 N3 U A 96 102.332 38.433 30.078 0.00 0.00 N ATOM 1962 C4 U A 96 101.533 37.578 29.355 0.00 0.00 C ATOM 1963 O4 U A 96 102.038 36.648 28.735 0.00 0.00 O ATOM 1964 C5 U A 96 100.124 37.910 29.411 0.00 0.00 C ATOM 1965 C6 U A 96 99.675 39.000 30.096 0.00 0.00 C ATOM 1966 P G A 97 99.590 45.176 29.139 0.00 0.00 P ATOM 1967 O1P G A 97 100.241 46.469 29.474 0.00 0.00 O ATOM 1968 O2P G A 97 98.292 45.317 28.446 0.00 0.00 O ATOM 1969 O5* G A 97 100.577 44.313 28.223 0.00 0.00 O ATOM 1970 C5* G A 97 101.616 44.869 27.433 0.00 0.00 C ATOM 1971 C4* G A 97 102.997 44.455 27.964 0.00 0.00 C ATOM 1972 O4* G A 97 102.976 43.110 28.409 0.00 0.00 O ATOM 1973 C3* G A 97 104.047 44.493 26.854 0.00 0.00 C ATOM 1974 O3* G A 97 104.515 45.804 26.571 0.00 0.00 O ATOM 1975 C2* G A 97 105.102 43.537 27.408 0.00 0.00 C ATOM 1976 O2* G A 97 106.006 44.157 28.311 0.00 0.00 O ATOM 1977 C1* G A 97 104.249 42.531 28.201 0.00 0.00 C ATOM 1978 N9 G A 97 104.081 41.232 27.509 0.00 0.00 N ATOM 1979 C8 G A 97 102.944 40.599 27.076 0.00 0.00 C ATOM 1980 N7 G A 97 103.155 39.430 26.527 0.00 0.00 N ATOM 1981 C5 G A 97 104.544 39.257 26.627 0.00 0.00 C ATOM 1982 C6 G A 97 105.432 38.185 26.234 0.00 0.00 C ATOM 1983 O6 G A 97 105.196 37.118 25.662 0.00 0.00 O ATOM 1984 N1 G A 97 106.757 38.433 26.566 0.00 0.00 N ATOM 1985 C2 G A 97 107.185 39.575 27.186 0.00 0.00 C ATOM 1986 N2 G A 97 108.445 39.696 27.520 0.00 0.00 N ATOM 1987 N3 G A 97 106.404 40.580 27.551 0.00 0.00 N ATOM 1988 C4 G A 97 105.098 40.361 27.242 0.00 0.00 C ATOM 1989 P A A 98 105.041 46.185 25.097 0.00 0.00 P ATOM 1990 O1P A A 98 105.441 47.607 25.181 0.00 0.00 O ATOM 1991 O2P A A 98 103.980 45.769 24.156 0.00 0.00 O ATOM 1992 O5* A A 98 106.354 45.261 24.853 0.00 0.00 O ATOM 1993 C5* A A 98 107.650 45.702 25.231 0.00 0.00 C ATOM 1994 C4* A A 98 108.694 44.569 25.338 0.00 0.00 C ATOM 1995 O4* A A 98 108.132 43.272 25.506 0.00 0.00 O ATOM 1996 C3* A A 98 109.663 44.479 24.162 0.00 0.00 C ATOM 1997 O3* A A 98 110.691 45.446 24.280 0.00 0.00 O ATOM 1998 C2* A A 98 110.185 43.047 24.324 0.00 0.00 C ATOM 1999 O2* A A 98 111.186 42.917 25.331 0.00 0.00 O ATOM 2000 C1* A A 98 108.935 42.315 24.818 0.00 0.00 C ATOM 2001 N9 A A 98 108.160 41.717 23.707 0.00 0.00 N ATOM 2002 C8 A A 98 106.969 42.153 23.177 0.00 0.00 C ATOM 2003 N7 A A 98 106.427 41.333 22.320 0.00 0.00 N ATOM 2004 C5 A A 98 107.343 40.281 22.269 0.00 0.00 C ATOM 2005 C6 A A 98 107.380 39.070 21.549 0.00 0.00 C ATOM 2006 N6 A A 98 106.417 38.725 20.703 0.00 0.00 N ATOM 2007 N1 A A 98 108.426 38.244 21.664 0.00 0.00 N ATOM 2008 C2 A A 98 109.420 38.612 22.473 0.00 0.00 C ATOM 2009 N3 A A 98 109.514 39.712 23.224 0.00 0.00 N ATOM 2010 C4 A A 98 108.424 40.519 23.076 0.00 0.00 C ATOM 2011 P C A 99 111.515 45.941 23.003 0.00 0.00 P ATOM 2012 O1P C A 99 112.533 46.832 23.610 0.00 0.00 O ATOM 2013 O2P C A 99 110.535 46.477 22.052 0.00 0.00 O ATOM 2014 O5* C A 99 112.226 44.647 22.391 0.00 0.00 O ATOM 2015 C5* C A 99 113.373 44.081 22.983 0.00 0.00 C ATOM 2016 C4* C A 99 113.791 42.822 22.224 0.00 0.00 C ATOM 2017 O4* C A 99 112.789 41.809 22.243 0.00 0.00 O ATOM 2018 C3* C A 99 114.192 43.081 20.766 0.00 0.00 C ATOM 2019 O3* C A 99 115.529 43.581 20.718 0.00 0.00 O ATOM 2020 C2* C A 99 114.081 41.639 20.275 0.00 0.00 C ATOM 2021 O2* C A 99 115.269 40.955 20.688 0.00 0.00 O ATOM 2022 C1* C A 99 112.845 41.085 21.016 0.00 0.00 C ATOM 2023 N1 C A 99 111.539 41.200 20.279 0.00 0.00 N ATOM 2024 C2 C A 99 111.044 40.083 19.577 0.00 0.00 C ATOM 2025 O2 C A 99 111.771 39.125 19.318 0.00 0.00 O ATOM 2026 N3 C A 99 109.743 40.042 19.183 0.00 0.00 N ATOM 2027 C4 C A 99 108.958 41.079 19.438 0.00 0.00 C ATOM 2028 N4 C A 99 107.684 40.954 19.153 0.00 0.00 N ATOM 2029 C5 C A 99 109.430 42.272 20.054 0.00 0.00 C ATOM 2030 C6 C A 99 110.726 42.297 20.448 0.00 0.00 C ATOM 2031 P G A 100 116.266 44.086 19.382 0.00 0.00 P ATOM 2032 O1P G A 100 117.678 43.693 19.608 0.00 0.00 O ATOM 2033 O2P G A 100 115.934 45.514 19.165 0.00 0.00 O ATOM 2034 O5* G A 100 115.721 43.225 18.129 0.00 0.00 O ATOM 2035 C5* G A 100 116.300 41.984 17.728 0.00 0.00 C ATOM 2036 C4* G A 100 115.680 41.472 16.424 0.00 0.00 C ATOM 2037 O4* G A 100 114.265 41.378 16.572 0.00 0.00 O ATOM 2038 C3* G A 100 116.020 42.373 15.226 0.00 0.00 C ATOM 2039 O3* G A 100 116.522 41.596 14.155 0.00 0.00 O ATOM 2040 C2* G A 100 114.674 43.040 14.944 0.00 0.00 C ATOM 2041 O2* G A 100 114.415 43.365 13.589 0.00 0.00 O ATOM 2042 C1* G A 100 113.634 42.073 15.505 0.00 0.00 C ATOM 2043 N9 G A 100 112.485 42.878 15.983 0.00 0.00 N ATOM 2044 C8 G A 100 112.476 43.744 17.047 0.00 0.00 C ATOM 2045 N7 G A 100 111.425 44.510 17.109 0.00 0.00 N ATOM 2046 C5 G A 100 110.651 44.107 16.018 0.00 0.00 C ATOM 2047 C6 G A 100 109.368 44.553 15.542 0.00 0.00 C ATOM 2048 O6 G A 100 108.610 45.395 15.988 0.00 0.00 O ATOM 2049 N1 G A 100 108.903 43.883 14.435 0.00 0.00 N ATOM 2050 C2 G A 100 109.585 42.851 13.868 0.00 0.00 C ATOM 2051 N2 G A 100 108.889 42.117 13.032 0.00 0.00 N ATOM 2052 N3 G A 100 110.818 42.455 14.216 0.00 0.00 N ATOM 2053 C4 G A 100 111.292 43.102 15.324 0.00 0.00 C ATOM 2054 P A A 101 118.105 41.384 13.962 0.00 0.00 P ATOM 2055 O1P A A 101 118.695 40.969 15.259 0.00 0.00 O ATOM 2056 O2P A A 101 118.709 42.529 13.253 0.00 0.00 O ATOM 2057 O5* A A 101 118.107 40.101 13.004 0.00 0.00 O ATOM 2058 C5* A A 101 119.218 39.230 12.926 0.00 0.00 C ATOM 2059 C4* A A 101 118.741 37.791 12.720 0.00 0.00 C ATOM 2060 O4* A A 101 117.903 37.387 13.808 0.00 0.00 O ATOM 2061 C3* A A 101 117.979 37.570 11.412 0.00 0.00 C ATOM 2062 O3* A A 101 118.845 37.294 10.322 0.00 0.00 O ATOM 2063 C2* A A 101 117.154 36.345 11.809 0.00 0.00 C ATOM 2064 O2* A A 101 117.880 35.120 11.804 0.00 0.00 O ATOM 2065 C1* A A 101 116.834 36.612 13.281 0.00 0.00 C ATOM 2066 N9 A A 101 115.516 37.265 13.457 0.00 0.00 N ATOM 2067 C8 A A 101 115.182 38.468 14.031 0.00 0.00 C ATOM 2068 N7 A A 101 113.893 38.677 14.122 0.00 0.00 N ATOM 2069 C5 A A 101 113.337 37.546 13.509 0.00 0.00 C ATOM 2070 C6 A A 101 112.030 37.116 13.170 0.00 0.00 C ATOM 2071 N6 A A 101 110.931 37.789 13.411 0.00 0.00 N ATOM 2072 N1 A A 101 111.825 35.960 12.514 0.00 0.00 N ATOM 2073 C2 A A 101 112.892 35.226 12.231 0.00 0.00 C ATOM 2074 N3 A A 101 114.163 35.486 12.495 0.00 0.00 N ATOM 2075 C4 A A 101 114.322 36.683 13.118 0.00 0.00 C ATOM 2076 P G A 102 118.467 37.647 8.793 0.00 0.00 P ATOM 2077 O1P G A 102 119.385 36.847 7.949 0.00 0.00 O ATOM 2078 O2P G A 102 118.448 39.118 8.658 0.00 0.00 O ATOM 2079 O5* G A 102 116.963 37.093 8.564 0.00 0.00 O ATOM 2080 C5* G A 102 116.747 35.769 8.111 0.00 0.00 C ATOM 2081 C4* G A 102 115.270 35.416 7.953 0.00 0.00 C ATOM 2082 O4* G A 102 114.539 35.697 9.150 0.00 0.00 O ATOM 2083 C3* G A 102 114.480 36.087 6.820 0.00 0.00 C ATOM 2084 O3* G A 102 114.742 35.624 5.490 0.00 0.00 O ATOM 2085 C2* G A 102 113.090 35.666 7.316 0.00 0.00 C ATOM 2086 O2* G A 102 112.877 34.274 7.235 0.00 0.00 O ATOM 2087 C1* G A 102 113.159 35.827 8.826 0.00 0.00 C ATOM 2088 N9 G A 102 112.559 37.083 9.337 0.00 0.00 N ATOM 2089 C8 G A 102 113.156 38.076 10.064 0.00 0.00 C ATOM 2090 N7 G A 102 112.326 38.956 10.557 0.00 0.00 N ATOM 2091 C5 G A 102 111.068 38.529 10.120 0.00 0.00 C ATOM 2092 C6 G A 102 109.738 39.059 10.327 0.00 0.00 C ATOM 2093 O6 G A 102 109.347 40.006 11.017 0.00 0.00 O ATOM 2094 N1 G A 102 108.777 38.388 9.587 0.00 0.00 N ATOM 2095 C2 G A 102 109.036 37.289 8.821 0.00 0.00 C ATOM 2096 N2 G A 102 108.044 36.774 8.137 0.00 0.00 N ATOM 2097 N3 G A 102 110.234 36.729 8.677 0.00 0.00 N ATOM 2098 C4 G A 102 111.218 37.403 9.335 0.00 0.00 C ATOM 2099 P U A 103 115.227 36.656 4.332 0.00 0.00 P ATOM 2100 O1P U A 103 115.606 35.865 3.141 0.00 0.00 O ATOM 2101 O2P U A 103 116.176 37.629 4.902 0.00 0.00 O ATOM 2102 O5* U A 103 113.862 37.442 4.000 0.00 0.00 O ATOM 2103 C5* U A 103 113.040 37.031 2.922 0.00 0.00 C ATOM 2104 C4* U A 103 111.552 37.109 3.246 0.00 0.00 C ATOM 2105 O4* U A 103 111.235 36.991 4.633 0.00 0.00 O ATOM 2106 C3* U A 103 110.877 38.397 2.803 0.00 0.00 C ATOM 2107 O3* U A 103 110.736 38.538 1.404 0.00 0.00 O ATOM 2108 C2* U A 103 109.541 38.159 3.497 0.00 0.00 C ATOM 2109 O2* U A 103 108.804 37.089 2.918 0.00 0.00 O ATOM 2110 C1* U A 103 110.002 37.673 4.872 0.00 0.00 C ATOM 2111 N1 U A 103 110.134 38.799 5.846 0.00 0.00 N ATOM 2112 C2 U A 103 108.959 39.448 6.245 0.00 0.00 C ATOM 2113 O2 U A 103 107.844 39.161 5.824 0.00 0.00 O ATOM 2114 N3 U A 103 109.085 40.452 7.176 0.00 0.00 N ATOM 2115 C4 U A 103 110.239 40.841 7.803 0.00 0.00 C ATOM 2116 O4 U A 103 110.190 41.734 8.641 0.00 0.00 O ATOM 2117 C5 U A 103 111.416 40.106 7.379 0.00 0.00 C ATOM 2118 C6 U A 103 111.341 39.135 6.427 0.00 0.00 C ATOM 2119 P G A 104 110.856 39.980 0.714 0.00 0.00 P ATOM 2120 O1P G A 104 110.521 39.807 -0.714 0.00 0.00 O ATOM 2121 O2P G A 104 112.175 40.534 1.096 0.00 0.00 O ATOM 2122 O5* G A 104 109.727 40.874 1.455 0.00 0.00 O ATOM 2123 C5* G A 104 108.343 40.818 1.127 0.00 0.00 C ATOM 2124 C4* G A 104 107.547 41.838 1.966 0.00 0.00 C ATOM 2125 O4* G A 104 107.620 41.551 3.350 0.00 0.00 O ATOM 2126 C3* G A 104 108.029 43.278 1.815 0.00 0.00 C ATOM 2127 O3* G A 104 107.709 43.900 0.587 0.00 0.00 O ATOM 2128 C2* G A 104 107.309 43.895 3.016 0.00 0.00 C ATOM 2129 O2* G A 104 105.909 44.070 2.834 0.00 0.00 O ATOM 2130 C1* G A 104 107.505 42.781 4.044 0.00 0.00 C ATOM 2131 N9 G A 104 108.754 43.008 4.786 0.00 0.00 N ATOM 2132 C8 G A 104 109.980 42.417 4.635 0.00 0.00 C ATOM 2133 N7 G A 104 110.874 42.822 5.496 0.00 0.00 N ATOM 2134 C5 G A 104 110.191 43.778 6.261 0.00 0.00 C ATOM 2135 C6 G A 104 110.594 44.573 7.391 0.00 0.00 C ATOM 2136 O6 G A 104 111.669 44.575 7.997 0.00 0.00 O ATOM 2137 N1 G A 104 109.594 45.434 7.825 0.00 0.00 N ATOM 2138 C2 G A 104 108.357 45.521 7.243 0.00 0.00 C ATOM 2139 N2 G A 104 107.486 46.361 7.742 0.00 0.00 N ATOM 2140 N3 G A 104 107.941 44.765 6.234 0.00 0.00 N ATOM 2141 C4 G A 104 108.904 43.915 5.793 0.00 0.00 C ATOM 2142 P G A 105 108.567 45.147 0.053 0.00 0.00 P ATOM 2143 O1P G A 105 107.990 45.587 -1.234 0.00 0.00 O ATOM 2144 O2P G A 105 110.001 44.795 0.159 0.00 0.00 O ATOM 2145 O5* G A 105 108.272 46.274 1.162 0.00 0.00 O ATOM 2146 C5* G A 105 107.014 46.916 1.235 0.00 0.00 C ATOM 2147 C4* G A 105 106.996 47.916 2.393 0.00 0.00 C ATOM 2148 O4* G A 105 107.346 47.310 3.632 0.00 0.00 O ATOM 2149 C3* G A 105 107.978 49.068 2.207 0.00 0.00 C ATOM 2150 O3* G A 105 107.531 49.987 1.223 0.00 0.00 O ATOM 2151 C2* G A 105 107.994 49.608 3.643 0.00 0.00 C ATOM 2152 O2* G A 105 106.850 50.373 3.989 0.00 0.00 O ATOM 2153 C1* G A 105 107.908 48.319 4.461 0.00 0.00 C ATOM 2154 N9 G A 105 109.240 47.940 4.974 0.00 0.00 N ATOM 2155 C8 G A 105 110.113 46.975 4.544 0.00 0.00 C ATOM 2156 N7 G A 105 111.179 46.858 5.290 0.00 0.00 N ATOM 2157 C5 G A 105 111.004 47.826 6.288 0.00 0.00 C ATOM 2158 C6 G A 105 111.794 48.192 7.434 0.00 0.00 C ATOM 2159 O6 G A 105 112.838 47.705 7.858 0.00 0.00 O ATOM 2160 N1 G A 105 111.268 49.261 8.144 0.00 0.00 N ATOM 2161 C2 G A 105 110.112 49.907 7.817 0.00 0.00 C ATOM 2162 N2 G A 105 109.751 50.956 8.530 0.00 0.00 N ATOM 2163 N3 G A 105 109.338 49.564 6.789 0.00 0.00 N ATOM 2164 C4 G A 105 109.835 48.517 6.066 0.00 0.00 C ATOM 2165 P C A 106 108.553 50.847 0.326 0.00 0.00 P ATOM 2166 O1P C A 106 107.770 51.499 -0.740 0.00 0.00 O ATOM 2167 O2P C A 106 109.736 50.015 0.005 0.00 0.00 O ATOM 2168 O5* C A 106 109.050 51.976 1.332 0.00 0.00 O ATOM 2169 C5* C A 106 108.232 53.043 1.745 0.00 0.00 C ATOM 2170 C4* C A 106 108.869 53.698 2.967 0.00 0.00 C ATOM 2171 O4* C A 106 108.991 52.758 4.050 0.00 0.00 O ATOM 2172 C3* C A 106 110.280 54.267 2.773 0.00 0.00 C ATOM 2173 O3* C A 106 110.411 55.463 2.005 0.00 0.00 O ATOM 2174 C2* C A 106 110.611 54.414 4.267 0.00 0.00 C ATOM 2175 O2* C A 106 109.729 55.282 4.967 0.00 0.00 O ATOM 2176 C1* C A 106 110.175 53.059 4.804 0.00 0.00 C ATOM 2177 N1 C A 106 111.232 52.006 4.681 0.00 0.00 N ATOM 2178 C2 C A 106 112.188 51.849 5.704 0.00 0.00 C ATOM 2179 O2 C A 106 112.306 52.651 6.635 0.00 0.00 O ATOM 2180 N3 C A 106 113.028 50.780 5.680 0.00 0.00 N ATOM 2181 C4 C A 106 112.945 49.905 4.681 0.00 0.00 C ATOM 2182 N4 C A 106 113.744 48.868 4.703 0.00 0.00 N ATOM 2183 C5 C A 106 112.027 50.043 3.606 0.00 0.00 C ATOM 2184 C6 C A 106 111.209 51.117 3.633 0.00 0.00 C ATOM 2185 P G A 107 111.770 55.730 1.158 0.00 0.00 P ATOM 2186 O1P G A 107 111.712 57.071 0.513 0.00 0.00 O ATOM 2187 O2P G A 107 112.054 54.512 0.371 0.00 0.00 O ATOM 2188 O5* G A 107 112.852 55.789 2.336 0.00 0.00 O ATOM 2189 C5* G A 107 112.935 56.910 3.188 0.00 0.00 C ATOM 2190 C4* G A 107 114.088 56.726 4.167 0.00 0.00 C ATOM 2191 O4* G A 107 113.903 55.597 5.025 0.00 0.00 O ATOM 2192 C3* G A 107 115.437 56.497 3.476 0.00 0.00 C ATOM 2193 O3* G A 107 116.011 57.630 2.821 0.00 0.00 O ATOM 2194 C2* G A 107 116.191 56.031 4.722 0.00 0.00 C ATOM 2195 O2* G A 107 116.422 57.128 5.600 0.00 0.00 O ATOM 2196 C1* G A 107 115.184 55.058 5.344 0.00 0.00 C ATOM 2197 N9 G A 107 115.340 53.701 4.741 0.00 0.00 N ATOM 2198 C8 G A 107 114.605 53.141 3.721 0.00 0.00 C ATOM 2199 N7 G A 107 115.001 51.955 3.335 0.00 0.00 N ATOM 2200 C5 G A 107 116.099 51.706 4.170 0.00 0.00 C ATOM 2201 C6 G A 107 116.981 50.573 4.236 0.00 0.00 C ATOM 2202 O6 G A 107 116.960 49.552 3.553 0.00 0.00 O ATOM 2203 N1 G A 107 117.981 50.687 5.193 0.00 0.00 N ATOM 2204 C2 G A 107 118.134 51.796 5.980 0.00 0.00 C ATOM 2205 N2 G A 107 119.159 51.798 6.813 0.00 0.00 N ATOM 2206 N3 G A 107 117.328 52.867 5.949 0.00 0.00 N ATOM 2207 C4 G A 107 116.321 52.767 5.025 0.00 0.00 C ATOM 2208 P G A 108 116.972 57.455 1.528 0.00 0.00 P ATOM 2209 O1P G A 108 117.342 58.794 1.000 0.00 0.00 O ATOM 2210 O2P G A 108 116.302 56.515 0.602 0.00 0.00 O ATOM 2211 O5* G A 108 118.278 56.696 2.103 0.00 0.00 O ATOM 2212 C5* G A 108 118.975 57.081 3.282 0.00 0.00 C ATOM 2213 C4* G A 108 119.797 55.887 3.812 0.00 0.00 C ATOM 2214 O4* G A 108 119.109 54.634 3.796 0.00 0.00 O ATOM 2215 C3* G A 108 121.019 55.600 2.971 0.00 0.00 C ATOM 2216 O3* G A 108 121.997 56.609 3.088 0.00 0.00 O ATOM 2217 C2* G A 108 121.418 54.225 3.526 0.00 0.00 C ATOM 2218 O2* G A 108 122.034 54.225 4.808 0.00 0.00 O ATOM 2219 C1* G A 108 120.050 53.568 3.715 0.00 0.00 C ATOM 2220 N9 G A 108 119.826 52.549 2.642 0.00 0.00 N ATOM 2221 C8 G A 108 120.655 51.484 2.380 0.00 0.00 C ATOM 2222 N7 G A 108 120.339 50.784 1.331 0.00 0.00 N ATOM 2223 C5 G A 108 119.198 51.422 0.838 0.00 0.00 C ATOM 2224 C6 G A 108 118.410 51.154 -0.338 0.00 0.00 C ATOM 2225 O6 G A 108 118.575 50.306 -1.212 0.00 0.00 O ATOM 2226 N1 G A 108 117.329 52.000 -0.495 0.00 0.00 N ATOM 2227 C2 G A 108 117.038 53.000 0.384 0.00 0.00 C ATOM 2228 N2 G A 108 116.060 53.795 0.031 0.00 0.00 N ATOM 2229 N3 G A 108 117.753 53.283 1.482 0.00 0.00 N ATOM 2230 C4 G A 108 118.841 52.473 1.662 0.00 0.00 C ATOM 2231 P A A 109 123.200 56.683 2.038 0.00 0.00 P ATOM 2232 O1P A A 109 123.658 55.300 1.814 0.00 0.00 O ATOM 2233 O2P A A 109 124.150 57.690 2.549 0.00 0.00 O ATOM 2234 O5* A A 109 122.525 57.223 0.663 0.00 0.00 O ATOM 2235 C5* A A 109 121.734 58.404 0.572 0.00 0.00 C ATOM 2236 C4* A A 109 122.071 59.161 -0.732 0.00 0.00 C ATOM 2237 O4* A A 109 121.728 58.344 -1.853 0.00 0.00 O ATOM 2238 C3* A A 109 121.286 60.479 -0.895 0.00 0.00 C ATOM 2239 O3* A A 109 122.023 61.475 -1.609 0.00 0.00 O ATOM 2240 C2* A A 109 120.113 59.998 -1.759 0.00 0.00 C ATOM 2241 O2* A A 109 119.446 61.021 -2.486 0.00 0.00 O ATOM 2242 C1* A A 109 120.802 59.011 -2.693 0.00 0.00 C ATOM 2243 N9 A A 109 119.857 58.079 -3.384 0.00 0.00 N ATOM 2244 C8 A A 109 119.461 58.081 -4.700 0.00 0.00 C ATOM 2245 N7 A A 109 118.680 57.090 -5.050 0.00 0.00 N ATOM 2246 C5 A A 109 118.522 56.378 -3.857 0.00 0.00 C ATOM 2247 C6 A A 109 117.837 55.191 -3.482 0.00 0.00 C ATOM 2248 N6 A A 109 117.121 54.399 -4.273 0.00 0.00 N ATOM 2249 N1 A A 109 117.861 54.775 -2.216 0.00 0.00 N ATOM 2250 C2 A A 109 118.523 55.506 -1.322 0.00 0.00 C ATOM 2251 N3 A A 109 119.214 56.621 -1.532 0.00 0.00 N ATOM 2252 C4 A A 109 119.193 57.004 -2.833 0.00 0.00 C ATOM 2253 P C A 110 122.865 62.642 -0.885 0.00 0.00 P ATOM 2254 O1P C A 110 122.830 63.764 -1.854 0.00 0.00 O ATOM 2255 O2P C A 110 124.175 62.130 -0.427 0.00 0.00 O ATOM 2256 O5* C A 110 122.040 63.063 0.428 0.00 0.00 O ATOM 2257 C5* C A 110 120.885 63.887 0.383 0.00 0.00 C ATOM 2258 C4* C A 110 120.310 64.112 1.791 0.00 0.00 C ATOM 2259 O4* C A 110 119.894 62.877 2.365 0.00 0.00 O ATOM 2260 C3* C A 110 121.299 64.740 2.766 0.00 0.00 C ATOM 2261 O3* C A 110 121.382 66.149 2.611 0.00 0.00 O ATOM 2262 C2* C A 110 120.703 64.279 4.104 0.00 0.00 C ATOM 2263 O2* C A 110 119.567 64.999 4.549 0.00 0.00 O ATOM 2264 C1* C A 110 120.117 62.914 3.773 0.00 0.00 C ATOM 2265 N1 C A 110 120.995 61.811 4.245 0.00 0.00 N ATOM 2266 C2 C A 110 120.856 61.343 5.562 0.00 0.00 C ATOM 2267 O2 C A 110 120.097 61.897 6.350 0.00 0.00 O ATOM 2268 N3 C A 110 121.549 60.245 5.969 0.00 0.00 N ATOM 2269 C4 C A 110 122.417 59.691 5.135 0.00 0.00 C ATOM 2270 N4 C A 110 123.055 58.629 5.554 0.00 0.00 N ATOM 2271 C5 C A 110 122.642 60.181 3.817 0.00 0.00 C ATOM 2272 C6 C A 110 121.900 61.229 3.400 0.00 0.00 C ATOM 2273 P G A 111 122.773 66.926 2.819 0.00 0.00 P ATOM 2274 O1P G A 111 122.533 68.381 2.682 0.00 0.00 O ATOM 2275 O2P G A 111 123.776 66.244 1.965 0.00 0.00 O ATOM 2276 O5* G A 111 123.107 66.577 4.354 0.00 0.00 O ATOM 2277 C5* G A 111 122.444 67.198 5.440 0.00 0.00 C ATOM 2278 C4* G A 111 122.792 66.499 6.763 0.00 0.00 C ATOM 2279 O4* G A 111 122.333 65.153 6.786 0.00 0.00 O ATOM 2280 C3* G A 111 124.285 66.435 7.045 0.00 0.00 C ATOM 2281 O3* G A 111 124.779 67.651 7.560 0.00 0.00 O ATOM 2282 C2* G A 111 124.361 65.255 8.018 0.00 0.00 C ATOM 2283 O2* G A 111 123.933 65.538 9.345 0.00 0.00 O ATOM 2284 C1* G A 111 123.328 64.325 7.376 0.00 0.00 C ATOM 2285 N9 G A 111 123.974 63.428 6.383 0.00 0.00 N ATOM 2286 C8 G A 111 124.183 63.579 5.032 0.00 0.00 C ATOM 2287 N7 G A 111 124.888 62.622 4.487 0.00 0.00 N ATOM 2288 C5 G A 111 125.178 61.767 5.558 0.00 0.00 C ATOM 2289 C6 G A 111 125.980 60.572 5.657 0.00 0.00 C ATOM 2290 O6 G A 111 126.718 60.042 4.824 0.00 0.00 O ATOM 2291 N1 G A 111 125.913 59.981 6.911 0.00 0.00 N ATOM 2292 C2 G A 111 125.295 60.543 7.991 0.00 0.00 C ATOM 2293 N2 G A 111 125.338 59.928 9.153 0.00 0.00 N ATOM 2294 N3 G A 111 124.640 61.701 7.958 0.00 0.00 N ATOM 2295 C4 G A 111 124.590 62.248 6.709 0.00 0.00 C ATOM 2296 P G A 112 126.070 68.331 6.903 0.00 0.00 P ATOM 2297 O1P G A 112 126.340 69.594 7.616 0.00 0.00 O ATOM 2298 O2P G A 112 125.910 68.317 5.437 0.00 0.00 O ATOM 2299 O5* G A 112 127.181 67.253 7.312 0.00 0.00 O ATOM 2300 C5* G A 112 127.581 67.161 8.659 0.00 0.00 C ATOM 2301 C4* G A 112 128.655 66.105 8.847 0.00 0.00 C ATOM 2302 O4* G A 112 128.210 64.771 8.552 0.00 0.00 O ATOM 2303 C3* G A 112 129.929 66.341 8.047 0.00 0.00 C ATOM 2304 O3* G A 112 130.763 67.310 8.660 0.00 0.00 O ATOM 2305 C2* G A 112 130.507 64.931 8.158 0.00 0.00 C ATOM 2306 O2* G A 112 130.968 64.735 9.496 0.00 0.00 O ATOM 2307 C1* G A 112 129.270 64.062 7.899 0.00 0.00 C ATOM 2308 N9 G A 112 128.956 63.889 6.442 0.00 0.00 N ATOM 2309 C8 G A 112 127.873 64.378 5.752 0.00 0.00 C ATOM 2310 N7 G A 112 127.846 64.067 4.485 0.00 0.00 N ATOM 2311 C5 G A 112 129.000 63.313 4.292 0.00 0.00 C ATOM 2312 C6 G A 112 129.539 62.701 3.101 0.00 0.00 C ATOM 2313 O6 G A 112 129.090 62.667 1.952 0.00 0.00 O ATOM 2314 N1 G A 112 130.743 62.060 3.324 0.00 0.00 N ATOM 2315 C2 G A 112 131.302 61.921 4.558 0.00 0.00 C ATOM 2316 N2 G A 112 132.353 61.141 4.644 0.00 0.00 N ATOM 2317 N3 G A 112 130.818 62.455 5.688 0.00 0.00 N ATOM 2318 C4 G A 112 129.671 63.172 5.493 0.00 0.00 C ATOM 2319 P G A 113 131.885 68.076 7.811 0.00 0.00 P ATOM 2320 O1P G A 113 132.744 68.812 8.766 0.00 0.00 O ATOM 2321 O2P G A 113 131.223 68.795 6.706 0.00 0.00 O ATOM 2322 O5* G A 113 132.748 66.893 7.159 0.00 0.00 O ATOM 2323 C5* G A 113 133.683 66.147 7.915 0.00 0.00 C ATOM 2324 C4* G A 113 134.569 65.365 6.958 0.00 0.00 C ATOM 2325 O4* G A 113 133.851 64.418 6.166 0.00 0.00 O ATOM 2326 C3* G A 113 135.316 66.281 5.983 0.00 0.00 C ATOM 2327 O3* G A 113 136.393 66.962 6.621 0.00 0.00 O ATOM 2328 C2* G A 113 135.742 65.193 5.003 0.00 0.00 C ATOM 2329 O2* G A 113 136.785 64.420 5.585 0.00 0.00 O ATOM 2330 C1* G A 113 134.503 64.305 4.905 0.00 0.00 C ATOM 2331 N9 G A 113 133.563 64.670 3.822 0.00 0.00 N ATOM 2332 C8 G A 113 132.342 65.289 3.913 0.00 0.00 C ATOM 2333 N7 G A 113 131.699 65.371 2.781 0.00 0.00 N ATOM 2334 C5 G A 113 132.558 64.774 1.858 0.00 0.00 C ATOM 2335 C6 G A 113 132.437 64.573 0.438 0.00 0.00 C ATOM 2336 O6 G A 113 131.519 64.855 -0.335 0.00 0.00 O ATOM 2337 N1 G A 113 133.553 63.971 -0.111 0.00 0.00 N ATOM 2338 C2 G A 113 134.613 63.512 0.616 0.00 0.00 C ATOM 2339 N2 G A 113 135.570 62.925 -0.063 0.00 0.00 N ATOM 2340 N3 G A 113 134.749 63.651 1.938 0.00 0.00 N ATOM 2341 C4 G A 113 133.694 64.317 2.499 0.00 0.00 C ATOM 2342 P U A 114 137.194 68.184 5.959 0.00 0.00 P ATOM 2343 O1P U A 114 138.238 68.599 6.915 0.00 0.00 O ATOM 2344 O2P U A 114 136.252 69.259 5.578 0.00 0.00 O ATOM 2345 O5* U A 114 137.881 67.657 4.620 0.00 0.00 O ATOM 2346 C5* U A 114 138.906 66.682 4.617 0.00 0.00 C ATOM 2347 C4* U A 114 139.055 66.126 3.198 0.00 0.00 C ATOM 2348 O4* U A 114 137.846 65.562 2.716 0.00 0.00 O ATOM 2349 C3* U A 114 139.409 67.174 2.157 0.00 0.00 C ATOM 2350 O3* U A 114 140.772 67.542 2.230 0.00 0.00 O ATOM 2351 C2* U A 114 139.013 66.412 0.890 0.00 0.00 C ATOM 2352 O2* U A 114 139.861 65.290 0.666 0.00 0.00 O ATOM 2353 C1* U A 114 137.677 65.820 1.328 0.00 0.00 C ATOM 2354 N1 U A 114 136.476 66.667 1.053 0.00 0.00 N ATOM 2355 C2 U A 114 135.946 66.620 -0.241 0.00 0.00 C ATOM 2356 O2 U A 114 136.556 66.147 -1.201 0.00 0.00 O ATOM 2357 N3 U A 114 134.663 67.108 -0.406 0.00 0.00 N ATOM 2358 C4 U A 114 133.859 67.640 0.574 0.00 0.00 C ATOM 2359 O4 U A 114 132.705 67.953 0.307 0.00 0.00 O ATOM 2360 C5 U A 114 134.500 67.737 1.867 0.00 0.00 C ATOM 2361 C6 U A 114 135.764 67.278 2.067 0.00 0.00 C ATOM 2362 P G A 115 141.251 68.975 1.717 0.00 0.00 P ATOM 2363 O1P G A 115 142.712 69.070 1.948 0.00 0.00 O ATOM 2364 O2P G A 115 140.312 69.993 2.252 0.00 0.00 O ATOM 2365 O5* G A 115 140.996 68.867 0.143 0.00 0.00 O ATOM 2366 C5* G A 115 141.775 68.024 -0.692 0.00 0.00 C ATOM 2367 C4* G A 115 141.306 68.190 -2.142 0.00 0.00 C ATOM 2368 O4* G A 115 139.903 67.970 -2.198 0.00 0.00 O ATOM 2369 C3* G A 115 141.576 69.616 -2.630 0.00 0.00 C ATOM 2370 O3* G A 115 142.918 69.874 -3.085 0.00 0.00 O ATOM 2371 C2* G A 115 140.314 70.030 -3.413 0.00 0.00 C ATOM 2372 O2* G A 115 140.460 70.007 -4.814 0.00 0.00 O ATOM 2373 C1* G A 115 139.279 68.972 -2.989 0.00 0.00 C ATOM 2374 N9 G A 115 138.063 69.491 -2.317 0.00 0.00 N ATOM 2375 C8 G A 115 137.793 69.706 -0.989 0.00 0.00 C ATOM 2376 N7 G A 115 136.536 69.976 -0.734 0.00 0.00 N ATOM 2377 C5 G A 115 135.919 69.965 -1.993 0.00 0.00 C ATOM 2378 C6 G A 115 134.547 70.155 -2.417 0.00 0.00 C ATOM 2379 O6 G A 115 133.522 70.364 -1.767 0.00 0.00 O ATOM 2380 N1 G A 115 134.391 70.059 -3.786 0.00 0.00 N ATOM 2381 C2 G A 115 135.418 69.824 -4.646 0.00 0.00 C ATOM 2382 N2 G A 115 135.164 69.864 -5.921 0.00 0.00 N ATOM 2383 N3 G A 115 136.678 69.585 -4.302 0.00 0.00 N ATOM 2384 C4 G A 115 136.867 69.684 -2.957 0.00 0.00 C ATOM 2385 P A A 116 143.766 69.167 -4.304 0.00 0.00 P ATOM 2386 O1P A A 116 145.157 69.652 -4.134 0.00 0.00 O ATOM 2387 O2P A A 116 143.110 69.340 -5.605 0.00 0.00 O ATOM 2388 O5* A A 116 143.859 67.571 -4.085 0.00 0.00 O ATOM 2389 C5* A A 116 144.848 66.806 -4.775 0.00 0.00 C ATOM 2390 C4* A A 116 144.333 65.789 -5.814 0.00 0.00 C ATOM 2391 O4* A A 116 143.230 65.034 -5.315 0.00 0.00 O ATOM 2392 C3* A A 116 143.960 66.332 -7.200 0.00 0.00 C ATOM 2393 O3* A A 116 145.098 66.514 -8.055 0.00 0.00 O ATOM 2394 C2* A A 116 143.039 65.184 -7.658 0.00 0.00 C ATOM 2395 O2* A A 116 143.751 64.044 -8.125 0.00 0.00 O ATOM 2396 C1* A A 116 142.326 64.754 -6.379 0.00 0.00 C ATOM 2397 N9 A A 116 141.074 65.517 -6.194 0.00 0.00 N ATOM 2398 C8 A A 116 140.896 66.601 -5.380 0.00 0.00 C ATOM 2399 N7 A A 116 139.676 67.042 -5.356 0.00 0.00 N ATOM 2400 C5 A A 116 139.002 66.230 -6.250 0.00 0.00 C ATOM 2401 C6 A A 116 137.664 66.190 -6.683 0.00 0.00 C ATOM 2402 N6 A A 116 136.752 67.031 -6.236 0.00 0.00 N ATOM 2403 N1 A A 116 137.257 65.276 -7.572 0.00 0.00 N ATOM 2404 C2 A A 116 138.175 64.408 -7.997 0.00 0.00 C ATOM 2405 N3 A A 116 139.470 64.327 -7.676 0.00 0.00 N ATOM 2406 C4 A A 116 139.836 65.285 -6.775 0.00 0.00 C ATOM 2407 P G A 117 145.084 67.526 -9.318 0.00 0.00 P ATOM 2408 O1P G A 117 146.267 67.272 -10.177 0.00 0.00 O ATOM 2409 O2P G A 117 144.906 68.908 -8.826 0.00 0.00 O ATOM 2410 O5* G A 117 143.798 67.074 -10.186 0.00 0.00 O ATOM 2411 C5* G A 117 143.817 65.865 -10.938 0.00 0.00 C ATOM 2412 C4* G A 117 142.429 65.463 -11.464 0.00 0.00 C ATOM 2413 O4* G A 117 141.459 65.303 -10.442 0.00 0.00 O ATOM 2414 C3* G A 117 141.867 66.465 -12.458 0.00 0.00 C ATOM 2415 O3* G A 117 142.327 66.148 -13.758 0.00 0.00 O ATOM 2416 C2* G A 117 140.354 66.285 -12.282 0.00 0.00 C ATOM 2417 O2* G A 117 139.815 65.196 -13.031 0.00 0.00 O ATOM 2418 C1* G A 117 140.246 65.954 -10.793 0.00 0.00 C ATOM 2419 N9 G A 117 139.981 67.159 -9.960 0.00 0.00 N ATOM 2420 C8 G A 117 140.787 67.772 -9.031 0.00 0.00 C ATOM 2421 N7 G A 117 140.174 68.660 -8.301 0.00 0.00 N ATOM 2422 C5 G A 117 138.874 68.691 -8.801 0.00 0.00 C ATOM 2423 C6 G A 117 137.702 69.430 -8.394 0.00 0.00 C ATOM 2424 O6 G A 117 137.505 70.151 -7.420 0.00 0.00 O ATOM 2425 N1 G A 117 136.618 69.266 -9.238 0.00 0.00 N ATOM 2426 C2 G A 117 136.609 68.348 -10.249 0.00 0.00 C ATOM 2427 N2 G A 117 135.472 68.152 -10.878 0.00 0.00 N ATOM 2428 N3 G A 117 137.638 67.569 -10.598 0.00 0.00 N ATOM 2429 C4 G A 117 138.762 67.806 -9.853 0.00 0.00 C ATOM 2430 P U A 118 142.670 67.296 -14.811 0.00 0.00 P ATOM 2431 O1P U A 118 142.921 66.511 -16.043 0.00 0.00 O ATOM 2432 O2P U A 118 143.751 68.095 -14.201 0.00 0.00 O ATOM 2433 O5* U A 118 141.298 68.130 -14.928 0.00 0.00 O ATOM 2434 C5* U A 118 140.158 67.601 -15.584 0.00 0.00 C ATOM 2435 C4* U A 118 138.885 68.432 -15.339 0.00 0.00 C ATOM 2436 O4* U A 118 138.482 68.431 -13.971 0.00 0.00 O ATOM 2437 C3* U A 118 138.990 69.891 -15.761 0.00 0.00 C ATOM 2438 O3* U A 118 138.807 70.066 -17.157 0.00 0.00 O ATOM 2439 C2* U A 118 137.859 70.494 -14.927 0.00 0.00 C ATOM 2440 O2* U A 118 136.559 70.185 -15.419 0.00 0.00 O ATOM 2441 C1* U A 118 137.998 69.727 -13.612 0.00 0.00 C ATOM 2442 N1 U A 118 138.872 70.434 -12.629 0.00 0.00 N ATOM 2443 C2 U A 118 138.298 71.454 -11.855 0.00 0.00 C ATOM 2444 O2 U A 118 137.112 71.771 -11.929 0.00 0.00 O ATOM 2445 N3 U A 118 139.129 72.118 -10.969 0.00 0.00 N ATOM 2446 C4 U A 118 140.465 71.839 -10.766 0.00 0.00 C ATOM 2447 O4 U A 118 141.135 72.530 -10.014 0.00 0.00 O ATOM 2448 C5 U A 118 140.969 70.729 -11.541 0.00 0.00 C ATOM 2449 C6 U A 118 140.192 70.081 -12.444 0.00 0.00 C ATOM 2450 P A A 119 139.701 71.128 -17.955 0.00 0.00 P ATOM 2451 O1P A A 119 139.365 70.940 -19.387 0.00 0.00 O ATOM 2452 O2P A A 119 141.094 70.956 -17.502 0.00 0.00 O ATOM 2453 O5* A A 119 139.202 72.574 -17.485 0.00 0.00 O ATOM 2454 C5* A A 119 138.001 73.170 -17.949 0.00 0.00 C ATOM 2455 C4* A A 119 138.238 74.658 -18.257 0.00 0.00 C ATOM 2456 O4* A A 119 138.771 75.282 -17.101 0.00 0.00 O ATOM 2457 C3* A A 119 139.268 74.859 -19.383 0.00 0.00 C ATOM 2458 O3* A A 119 138.800 74.844 -20.739 0.00 0.00 O ATOM 2459 C2* A A 119 140.138 76.042 -18.909 0.00 0.00 C ATOM 2460 O2* A A 119 140.138 77.210 -19.714 0.00 0.00 O ATOM 2461 C1* A A 119 139.595 76.355 -17.506 0.00 0.00 C ATOM 2462 N9 A A 119 140.680 76.540 -16.509 0.00 0.00 N ATOM 2463 C8 A A 119 141.729 75.704 -16.208 0.00 0.00 C ATOM 2464 N7 A A 119 142.547 76.165 -15.297 0.00 0.00 N ATOM 2465 C5 A A 119 141.972 77.390 -14.937 0.00 0.00 C ATOM 2466 C6 A A 119 142.279 78.408 -13.996 0.00 0.00 C ATOM 2467 N6 A A 119 143.294 78.428 -13.148 0.00 0.00 N ATOM 2468 N1 A A 119 141.532 79.509 -13.924 0.00 0.00 N ATOM 2469 C2 A A 119 140.489 79.613 -14.736 0.00 0.00 C ATOM 2470 N3 A A 119 140.050 78.735 -15.634 0.00 0.00 N ATOM 2471 C4 A A 119 140.846 77.630 -15.686 0.00 0.00 C ATOM 2472 P A A 120 137.484 75.599 -21.317 0.00 0.00 P ATOM 2473 O1P A A 120 137.455 75.391 -22.789 0.00 0.00 O ATOM 2474 O2P A A 120 137.386 76.964 -20.769 0.00 0.00 O ATOM 2475 O5* A A 120 136.270 74.759 -20.681 0.00 0.00 O ATOM 2476 C5* A A 120 135.986 73.430 -21.072 0.00 0.00 C ATOM 2477 C4* A A 120 134.839 72.879 -20.222 0.00 0.00 C ATOM 2478 O4* A A 120 135.181 72.848 -18.835 0.00 0.00 O ATOM 2479 C3* A A 120 133.543 73.675 -20.387 0.00 0.00 C ATOM 2480 O3* A A 120 132.772 73.201 -21.489 0.00 0.00 O ATOM 2481 C2* A A 120 132.922 73.401 -19.010 0.00 0.00 C ATOM 2482 O2* A A 120 132.424 72.059 -18.956 0.00 0.00 O ATOM 2483 C1* A A 120 134.141 73.442 -18.074 0.00 0.00 C ATOM 2484 N9 A A 120 134.622 74.762 -17.557 0.00 0.00 N ATOM 2485 C8 A A 120 134.654 76.003 -18.158 0.00 0.00 C ATOM 2486 N7 A A 120 135.218 76.941 -17.442 0.00 0.00 N ATOM 2487 C5 A A 120 135.582 76.284 -16.268 0.00 0.00 C ATOM 2488 C6 A A 120 136.215 76.691 -15.067 0.00 0.00 C ATOM 2489 N6 A A 120 136.620 77.923 -14.787 0.00 0.00 N ATOM 2490 N1 A A 120 136.395 75.818 -14.073 0.00 0.00 N ATOM 2491 C2 A A 120 135.980 74.568 -14.257 0.00 0.00 C ATOM 2492 N3 A A 120 135.383 74.038 -15.326 0.00 0.00 N ATOM 2493 C4 A A 120 135.208 74.963 -16.318 0.00 0.00 C ATOM 2494 P U A 121 131.597 74.080 -22.130 0.00 0.00 P ATOM 2495 O1P U A 121 130.866 73.251 -23.112 0.00 0.00 O ATOM 2496 O2P U A 121 132.165 75.359 -22.616 0.00 0.00 O ATOM 2497 O5* U A 121 130.612 74.449 -20.911 0.00 0.00 O ATOM 2498 C5* U A 121 129.570 73.591 -20.475 0.00 0.00 C ATOM 2499 C4* U A 121 129.022 74.040 -19.105 0.00 0.00 C ATOM 2500 O4* U A 121 128.564 75.384 -19.211 0.00 0.00 O ATOM 2501 C3* U A 121 127.824 73.176 -18.649 0.00 0.00 C ATOM 2502 O3* U A 121 127.858 72.834 -17.264 0.00 0.00 O ATOM 2503 C2* U A 121 126.634 74.096 -18.938 0.00 0.00 C ATOM 2504 O2* U A 121 125.507 73.805 -18.113 0.00 0.00 O ATOM 2505 C1* U A 121 127.241 75.490 -18.725 0.00 0.00 C ATOM 2506 N1 U A 121 126.557 76.582 -19.474 0.00 0.00 N ATOM 2507 C2 U A 121 126.050 77.684 -18.767 0.00 0.00 C ATOM 2508 O2 U A 121 126.083 77.779 -17.542 0.00 0.00 O ATOM 2509 N3 U A 121 125.459 78.689 -19.514 0.00 0.00 N ATOM 2510 C4 U A 121 125.240 78.634 -20.877 0.00 0.00 C ATOM 2511 O4 U A 121 124.577 79.490 -21.426 0.00 0.00 O ATOM 2512 C5 U A 121 125.824 77.497 -21.542 0.00 0.00 C ATOM 2513 C6 U A 121 126.464 76.526 -20.848 0.00 0.00 C ATOM 2514 P G A 122 128.623 71.535 -16.728 0.00 0.00 P ATOM 2515 O1P G A 122 129.810 71.297 -17.585 0.00 0.00 O ATOM 2516 O2P G A 122 127.592 70.467 -16.504 0.00 0.00 O ATOM 2517 O5* G A 122 129.133 72.032 -15.300 0.00 0.00 O ATOM 2518 C5* G A 122 129.348 71.131 -14.229 0.00 0.00 C ATOM 2519 C4* G A 122 130.264 71.758 -13.175 0.00 0.00 C ATOM 2520 O4* G A 122 131.540 72.041 -13.750 0.00 0.00 O ATOM 2521 C3* G A 122 129.721 73.062 -12.594 0.00 0.00 C ATOM 2522 O3* G A 122 128.768 72.865 -11.552 0.00 0.00 O ATOM 2523 C2* G A 122 131.040 73.739 -12.187 0.00 0.00 C ATOM 2524 O2* G A 122 131.648 73.263 -10.991 0.00 0.00 O ATOM 2525 C1* G A 122 131.967 73.336 -13.337 0.00 0.00 C ATOM 2526 N9 G A 122 131.921 74.334 -14.438 0.00 0.00 N ATOM 2527 C8 G A 122 131.425 74.206 -15.712 0.00 0.00 C ATOM 2528 N7 G A 122 131.517 75.289 -16.436 0.00 0.00 N ATOM 2529 C5 G A 122 132.138 76.212 -15.589 0.00 0.00 C ATOM 2530 C6 G A 122 132.523 77.587 -15.788 0.00 0.00 C ATOM 2531 O6 G A 122 132.374 78.319 -16.766 0.00 0.00 O ATOM 2532 N1 G A 122 133.142 78.144 -14.682 0.00 0.00 N ATOM 2533 C2 G A 122 133.375 77.473 -13.516 0.00 0.00 C ATOM 2534 N2 G A 122 133.922 78.150 -12.527 0.00 0.00 N ATOM 2535 N3 G A 122 133.028 76.203 -13.296 0.00 0.00 N ATOM 2536 C4 G A 122 132.411 75.621 -14.371 0.00 0.00 C ATOM 2537 P U A 123 127.605 73.950 -11.259 0.00 0.00 P ATOM 2538 O1P U A 123 126.797 73.573 -10.075 0.00 0.00 O ATOM 2539 O2P U A 123 126.949 74.242 -12.551 0.00 0.00 O ATOM 2540 O5* U A 123 128.469 75.208 -10.830 0.00 0.00 O ATOM 2541 C5* U A 123 129.181 75.225 -9.611 0.00 0.00 C ATOM 2542 C4* U A 123 129.996 76.519 -9.544 0.00 0.00 C ATOM 2543 O4* U A 123 130.887 76.640 -10.651 0.00 0.00 O ATOM 2544 C3* U A 123 129.096 77.745 -9.578 0.00 0.00 C ATOM 2545 O3* U A 123 128.650 78.063 -8.282 0.00 0.00 O ATOM 2546 C2* U A 123 130.013 78.801 -10.198 0.00 0.00 C ATOM 2547 O2* U A 123 130.961 79.403 -9.328 0.00 0.00 O ATOM 2548 C1* U A 123 130.824 77.965 -11.177 0.00 0.00 C ATOM 2549 N1 U A 123 130.267 78.095 -12.556 0.00 0.00 N ATOM 2550 C2 U A 123 130.532 79.298 -13.222 0.00 0.00 C ATOM 2551 O2 U A 123 131.159 80.229 -12.718 0.00 0.00 O ATOM 2552 N3 U A 123 130.080 79.407 -14.517 0.00 0.00 N ATOM 2553 C4 U A 123 129.427 78.436 -15.239 0.00 0.00 C ATOM 2554 O4 U A 123 129.145 78.644 -16.414 0.00 0.00 O ATOM 2555 C5 U A 123 129.149 77.234 -14.479 0.00 0.00 C ATOM 2556 C6 U A 123 129.562 77.092 -13.190 0.00 0.00 C ATOM 2557 P C A 124 127.237 78.754 -8.032 0.00 0.00 P ATOM 2558 O1P C A 124 127.112 78.835 -6.560 0.00 0.00 O ATOM 2559 O2P C A 124 126.215 78.088 -8.861 0.00 0.00 O ATOM 2560 O5* C A 124 127.507 80.212 -8.641 0.00 0.00 O ATOM 2561 C5* C A 124 128.241 81.189 -7.932 0.00 0.00 C ATOM 2562 C4* C A 124 128.384 82.467 -8.771 0.00 0.00 C ATOM 2563 O4* C A 124 129.043 82.224 -10.012 0.00 0.00 O ATOM 2564 C3* C A 124 127.039 83.083 -9.125 0.00 0.00 C ATOM 2565 O3* C A 124 126.473 83.802 -8.048 0.00 0.00 O ATOM 2566 C2* C A 124 127.422 83.944 -10.334 0.00 0.00 C ATOM 2567 O2* C A 124 128.060 85.183 -10.049 0.00 0.00 O ATOM 2568 C1* C A 124 128.474 83.070 -11.012 0.00 0.00 C ATOM 2569 N1 C A 124 127.879 82.304 -12.142 0.00 0.00 N ATOM 2570 C2 C A 124 127.749 82.936 -13.387 0.00 0.00 C ATOM 2571 O2 C A 124 127.947 84.146 -13.535 0.00 0.00 O ATOM 2572 N3 C A 124 127.384 82.210 -14.473 0.00 0.00 N ATOM 2573 C4 C A 124 127.105 80.918 -14.334 0.00 0.00 C ATOM 2574 N4 C A 124 126.803 80.257 -15.421 0.00 0.00 N ATOM 2575 C5 C A 124 127.111 80.262 -13.070 0.00 0.00 C ATOM 2576 C6 C A 124 127.490 80.993 -11.995 0.00 0.00 C ATOM 2577 P U A 125 124.884 83.969 -7.920 0.00 0.00 P ATOM 2578 O1P U A 125 124.600 84.783 -6.717 0.00 0.00 O ATOM 2579 O2P U A 125 124.248 82.652 -8.114 0.00 0.00 O ATOM 2580 O5* U A 125 124.567 84.854 -9.213 0.00 0.00 O ATOM 2581 C5* U A 125 124.776 86.246 -9.204 0.00 0.00 C ATOM 2582 C4* U A 125 124.427 86.805 -10.578 0.00 0.00 C ATOM 2583 O4* U A 125 125.214 86.172 -11.577 0.00 0.00 O ATOM 2584 C3* U A 125 122.963 86.575 -10.941 0.00 0.00 C ATOM 2585 O3* U A 125 122.073 87.484 -10.303 0.00 0.00 O ATOM 2586 C2* U A 125 123.079 86.774 -12.448 0.00 0.00 C ATOM 2587 O2* U A 125 123.147 88.147 -12.811 0.00 0.00 O ATOM 2588 C1* U A 125 124.441 86.150 -12.765 0.00 0.00 C ATOM 2589 N1 U A 125 124.285 84.792 -13.348 0.00 0.00 N ATOM 2590 C2 U A 125 124.064 84.749 -14.722 0.00 0.00 C ATOM 2591 O2 U A 125 123.913 85.756 -15.407 0.00 0.00 O ATOM 2592 N3 U A 125 124.008 83.510 -15.304 0.00 0.00 N ATOM 2593 C4 U A 125 124.060 82.303 -14.651 0.00 0.00 C ATOM 2594 O4 U A 125 123.976 81.276 -15.312 0.00 0.00 O ATOM 2595 C5 U A 125 124.220 82.416 -13.211 0.00 0.00 C ATOM 2596 C6 U A 125 124.322 83.630 -12.604 0.00 0.00 C ATOM 2597 P G A 126 120.500 87.153 -10.171 0.00 0.00 P ATOM 2598 O1P G A 126 119.837 88.288 -9.477 0.00 0.00 O ATOM 2599 O2P G A 126 120.368 85.786 -9.639 0.00 0.00 O ATOM 2600 O5* G A 126 120.008 87.134 -11.700 0.00 0.00 O ATOM 2601 C5* G A 126 119.843 88.329 -12.441 0.00 0.00 C ATOM 2602 C4* G A 126 119.593 88.021 -13.914 0.00 0.00 C ATOM 2603 O4* G A 126 120.667 87.256 -14.447 0.00 0.00 O ATOM 2604 C3* G A 126 118.322 87.241 -14.209 0.00 0.00 C ATOM 2605 O3* G A 126 117.193 88.092 -14.173 0.00 0.00 O ATOM 2606 C2* G A 126 118.677 86.729 -15.609 0.00 0.00 C ATOM 2607 O2* G A 126 118.568 87.709 -16.627 0.00 0.00 O ATOM 2608 C1* G A 126 120.171 86.467 -15.516 0.00 0.00 C ATOM 2609 N9 G A 126 120.443 85.022 -15.380 0.00 0.00 N ATOM 2610 C8 G A 126 120.667 84.251 -14.270 0.00 0.00 C ATOM 2611 N7 G A 126 120.916 82.998 -14.541 0.00 0.00 N ATOM 2612 C5 G A 126 120.814 82.915 -15.936 0.00 0.00 C ATOM 2613 C6 G A 126 120.961 81.820 -16.867 0.00 0.00 C ATOM 2614 O6 G A 126 121.276 80.645 -16.676 0.00 0.00 O ATOM 2615 N1 G A 126 120.704 82.187 -18.180 0.00 0.00 N ATOM 2616 C2 G A 126 120.401 83.461 -18.568 0.00 0.00 C ATOM 2617 N2 G A 126 120.219 83.698 -19.845 0.00 0.00 N ATOM 2618 N3 G A 126 120.290 84.497 -17.745 0.00 0.00 N ATOM 2619 C4 G A 126 120.501 84.158 -16.442 0.00 0.00 C ATOM 2620 P G A 127 115.701 87.518 -14.155 0.00 0.00 P ATOM 2621 O1P G A 127 114.813 88.688 -13.966 0.00 0.00 O ATOM 2622 O2P G A 127 115.655 86.381 -13.215 0.00 0.00 O ATOM 2623 O5* G A 127 115.523 86.940 -15.653 0.00 0.00 O ATOM 2624 C5* G A 127 114.897 85.683 -15.883 0.00 0.00 C ATOM 2625 C4* G A 127 115.188 85.211 -17.306 0.00 0.00 C ATOM 2626 O4* G A 127 116.563 84.878 -17.471 0.00 0.00 O ATOM 2627 C3* G A 127 114.399 83.963 -17.704 0.00 0.00 C ATOM 2628 O3* G A 127 113.104 84.311 -18.139 0.00 0.00 O ATOM 2629 C2* G A 127 115.270 83.482 -18.861 0.00 0.00 C ATOM 2630 O2* G A 127 115.061 84.317 -19.994 0.00 0.00 O ATOM 2631 C1* G A 127 116.675 83.727 -18.299 0.00 0.00 C ATOM 2632 N9 G A 127 117.173 82.571 -17.505 0.00 0.00 N ATOM 2633 C8 G A 127 117.429 82.481 -16.160 0.00 0.00 C ATOM 2634 N7 G A 127 117.873 81.314 -15.774 0.00 0.00 N ATOM 2635 C5 G A 127 117.945 80.563 -16.952 0.00 0.00 C ATOM 2636 C6 G A 127 118.384 79.210 -17.220 0.00 0.00 C ATOM 2637 O6 G A 127 118.804 78.324 -16.471 0.00 0.00 O ATOM 2638 N1 G A 127 118.303 78.880 -18.556 0.00 0.00 N ATOM 2639 C2 G A 127 117.859 79.727 -19.520 0.00 0.00 C ATOM 2640 N2 G A 127 117.775 79.220 -20.716 0.00 0.00 N ATOM 2641 N3 G A 127 117.455 80.979 -19.321 0.00 0.00 N ATOM 2642 C4 G A 127 117.523 81.343 -18.012 0.00 0.00 C ATOM 2643 P G A 128 111.884 83.282 -18.160 0.00 0.00 P ATOM 2644 O1P G A 128 110.821 84.071 -18.827 0.00 0.00 O ATOM 2645 O2P G A 128 111.726 82.757 -16.791 0.00 0.00 O ATOM 2646 O5* G A 128 112.306 82.085 -19.147 0.00 0.00 O ATOM 2647 C5* G A 128 112.182 82.232 -20.552 0.00 0.00 C ATOM 2648 C4* G A 128 112.729 81.033 -21.325 0.00 0.00 C ATOM 2649 O4* G A 128 114.015 80.736 -20.808 0.00 0.00 O ATOM 2650 C3* G A 128 111.885 79.745 -21.301 0.00 0.00 C ATOM 2651 O3* G A 128 110.879 79.655 -22.323 0.00 0.00 O ATOM 2652 C2* G A 128 113.010 78.719 -21.552 0.00 0.00 C ATOM 2653 O2* G A 128 113.320 78.521 -22.927 0.00 0.00 O ATOM 2654 C1* G A 128 114.243 79.346 -20.905 0.00 0.00 C ATOM 2655 N9 G A 128 114.519 78.756 -19.573 0.00 0.00 N ATOM 2656 C8 G A 128 114.543 79.360 -18.342 0.00 0.00 C ATOM 2657 N7 G A 128 114.992 78.598 -17.380 0.00 0.00 N ATOM 2658 C5 G A 128 115.271 77.382 -18.011 0.00 0.00 C ATOM 2659 C6 G A 128 115.820 76.143 -17.516 0.00 0.00 C ATOM 2660 O6 G A 128 116.209 75.832 -16.389 0.00 0.00 O ATOM 2661 N1 G A 128 115.918 75.172 -18.495 0.00 0.00 N ATOM 2662 C2 G A 128 115.520 75.348 -19.790 0.00 0.00 C ATOM 2663 N2 G A 128 115.619 74.319 -20.597 0.00 0.00 N ATOM 2664 N3 G A 128 115.011 76.473 -20.282 0.00 0.00 N ATOM 2665 C4 G A 128 114.930 77.464 -19.346 0.00 0.00 C ATOM 2666 P A A 129 109.277 79.805 -22.091 0.00 0.00 P ATOM 2667 O1P A A 129 108.792 80.883 -22.978 0.00 0.00 O ATOM 2668 O2P A A 129 109.053 79.897 -20.636 0.00 0.00 O ATOM 2669 O5* A A 129 108.571 78.407 -22.570 0.00 0.00 O ATOM 2670 C5* A A 129 108.474 78.002 -23.937 0.00 0.00 C ATOM 2671 C4* A A 129 109.437 76.845 -24.246 0.00 0.00 C ATOM 2672 O4* A A 129 110.681 77.126 -23.614 0.00 0.00 O ATOM 2673 C3* A A 129 109.001 75.462 -23.762 0.00 0.00 C ATOM 2674 O3* A A 129 108.126 74.761 -24.650 0.00 0.00 O ATOM 2675 C2* A A 129 110.369 74.841 -23.457 0.00 0.00 C ATOM 2676 O2* A A 129 111.241 74.465 -24.498 0.00 0.00 O ATOM 2677 C1* A A 129 111.177 75.981 -22.944 0.00 0.00 C ATOM 2678 N9 A A 129 111.102 75.903 -21.477 0.00 0.00 N ATOM 2679 C8 A A 129 110.584 76.776 -20.559 0.00 0.00 C ATOM 2680 N7 A A 129 110.953 76.514 -19.333 0.00 0.00 N ATOM 2681 C5 A A 129 111.653 75.310 -19.449 0.00 0.00 C ATOM 2682 C6 A A 129 112.318 74.446 -18.553 0.00 0.00 C ATOM 2683 N6 A A 129 112.539 74.759 -17.296 0.00 0.00 N ATOM 2684 N1 A A 129 112.803 73.256 -18.950 0.00 0.00 N ATOM 2685 C2 A A 129 112.674 72.955 -20.230 0.00 0.00 C ATOM 2686 N3 A A 129 112.162 73.708 -21.193 0.00 0.00 N ATOM 2687 C4 A A 129 111.665 74.888 -20.740 0.00 0.00 C ATOM 2688 P A A 130 108.261 73.190 -25.034 0.00 0.00 P ATOM 2689 O1P A A 130 109.552 73.074 -25.760 0.00 0.00 O ATOM 2690 O2P A A 130 107.003 72.773 -25.689 0.00 0.00 O ATOM 2691 O5* A A 130 108.349 72.381 -23.631 0.00 0.00 O ATOM 2692 C5* A A 130 109.506 71.689 -23.166 0.00 0.00 C ATOM 2693 C4* A A 130 109.864 70.418 -23.930 0.00 0.00 C ATOM 2694 O4* A A 130 110.838 70.723 -24.932 0.00 0.00 O ATOM 2695 C3* A A 130 110.560 69.409 -23.007 0.00 0.00 C ATOM 2696 O3* A A 130 109.753 68.588 -22.167 0.00 0.00 O ATOM 2697 C2* A A 130 111.528 68.727 -23.984 0.00 0.00 C ATOM 2698 O2* A A 130 110.926 67.965 -25.004 0.00 0.00 O ATOM 2699 C1* A A 130 112.007 69.927 -24.764 0.00 0.00 C ATOM 2700 N9 A A 130 113.109 70.690 -24.116 0.00 0.00 N ATOM 2701 C8 A A 130 113.076 71.843 -23.372 0.00 0.00 C ATOM 2702 N7 A A 130 114.193 72.110 -22.746 0.00 0.00 N ATOM 2703 C5 A A 130 115.062 71.154 -23.240 0.00 0.00 C ATOM 2704 C6 A A 130 116.435 70.896 -23.081 0.00 0.00 C ATOM 2705 N6 A A 130 117.223 71.436 -22.190 0.00 0.00 N ATOM 2706 N1 A A 130 117.080 70.050 -23.863 0.00 0.00 N ATOM 2707 C2 A A 130 116.370 69.430 -24.788 0.00 0.00 C ATOM 2708 N3 A A 130 115.060 69.533 -25.021 0.00 0.00 N ATOM 2709 C4 A A 130 114.447 70.398 -24.191 0.00 0.00 C ATOM 2710 P A A 131 108.435 67.810 -22.640 0.00 0.00 P ATOM 2711 O1P A A 131 108.785 67.101 -23.903 0.00 0.00 O ATOM 2712 O2P A A 131 107.297 68.749 -22.642 0.00 0.00 O ATOM 2713 O5* A A 131 108.156 66.708 -21.500 0.00 0.00 O ATOM 2714 C5* A A 131 107.900 67.064 -20.144 0.00 0.00 C ATOM 2715 C4* A A 131 108.967 66.418 -19.258 0.00 0.00 C ATOM 2716 O4* A A 131 110.165 67.187 -19.206 0.00 0.00 O ATOM 2717 C3* A A 131 108.514 66.206 -17.810 0.00 0.00 C ATOM 2718 O3* A A 131 107.638 65.086 -17.720 0.00 0.00 O ATOM 2719 C2* A A 131 109.897 66.001 -17.182 0.00 0.00 C ATOM 2720 O2* A A 131 110.368 64.698 -17.496 0.00 0.00 O ATOM 2721 C1* A A 131 110.752 67.044 -17.921 0.00 0.00 C ATOM 2722 N9 A A 131 110.765 68.375 -17.257 0.00 0.00 N ATOM 2723 C8 A A 131 110.133 69.534 -17.649 0.00 0.00 C ATOM 2724 N7 A A 131 110.330 70.555 -16.861 0.00 0.00 N ATOM 2725 C5 A A 131 111.174 70.037 -15.876 0.00 0.00 C ATOM 2726 C6 A A 131 111.759 70.568 -14.703 0.00 0.00 C ATOM 2727 N6 A A 131 111.580 71.808 -14.276 0.00 0.00 N ATOM 2728 N1 A A 131 112.545 69.805 -13.934 0.00 0.00 N ATOM 2729 C2 A A 131 112.767 68.551 -14.315 0.00 0.00 C ATOM 2730 N3 A A 131 112.276 67.916 -15.377 0.00 0.00 N ATOM 2731 C4 A A 131 111.467 68.721 -16.122 0.00 0.00 C ATOM 2732 P C A 132 106.631 64.846 -16.483 0.00 0.00 P ATOM 2733 O1P C A 132 105.721 63.740 -16.846 0.00 0.00 O ATOM 2734 O2P C A 132 106.056 66.152 -16.085 0.00 0.00 O ATOM 2735 O5* C A 132 107.586 64.355 -15.285 0.00 0.00 O ATOM 2736 C5* C A 132 108.291 63.129 -15.336 0.00 0.00 C ATOM 2737 C4* C A 132 109.301 63.034 -14.182 0.00 0.00 C ATOM 2738 O4* C A 132 110.311 64.039 -14.269 0.00 0.00 O ATOM 2739 C3* C A 132 108.686 63.150 -12.789 0.00 0.00 C ATOM 2740 O3* C A 132 108.122 61.923 -12.367 0.00 0.00 O ATOM 2741 C2* C A 132 109.946 63.524 -12.000 0.00 0.00 C ATOM 2742 O2* C A 132 110.802 62.402 -11.794 0.00 0.00 O ATOM 2743 C1* C A 132 110.641 64.496 -12.957 0.00 0.00 C ATOM 2744 N1 C A 132 110.218 65.915 -12.725 0.00 0.00 N ATOM 2745 C2 C A 132 110.779 66.628 -11.652 0.00 0.00 C ATOM 2746 O2 C A 132 111.521 66.083 -10.831 0.00 0.00 O ATOM 2747 N3 C A 132 110.482 67.944 -11.481 0.00 0.00 N ATOM 2748 C4 C A 132 109.676 68.550 -12.348 0.00 0.00 C ATOM 2749 N4 C A 132 109.423 69.821 -12.156 0.00 0.00 N ATOM 2750 C5 C A 132 109.045 67.862 -13.423 0.00 0.00 C ATOM 2751 C6 C A 132 109.330 66.546 -13.565 0.00 0.00 C ATOM 2752 P U A 133 107.064 61.827 -11.170 0.00 0.00 P ATOM 2753 O1P U A 133 106.970 60.385 -10.861 0.00 0.00 O ATOM 2754 O2P U A 133 105.868 62.636 -11.494 0.00 0.00 O ATOM 2755 O5* U A 133 107.818 62.504 -9.942 0.00 0.00 O ATOM 2756 C5* U A 133 108.801 61.825 -9.183 0.00 0.00 C ATOM 2757 C4* U A 133 109.303 62.744 -8.076 0.00 0.00 C ATOM 2758 O4* U A 133 109.904 63.928 -8.591 0.00 0.00 O ATOM 2759 C3* U A 133 108.187 63.188 -7.140 0.00 0.00 C ATOM 2760 O3* U A 133 107.820 62.135 -6.271 0.00 0.00 O ATOM 2761 C2* U A 133 108.890 64.392 -6.504 0.00 0.00 C ATOM 2762 O2* U A 133 109.981 64.051 -5.655 0.00 0.00 O ATOM 2763 C1* U A 133 109.555 65.016 -7.736 0.00 0.00 C ATOM 2764 N1 U A 133 108.701 66.021 -8.438 0.00 0.00 N ATOM 2765 C2 U A 133 108.656 67.318 -7.914 0.00 0.00 C ATOM 2766 O2 U A 133 109.199 67.640 -6.859 0.00 0.00 O ATOM 2767 N3 U A 133 107.954 68.261 -8.641 0.00 0.00 N ATOM 2768 C4 U A 133 107.272 68.037 -9.820 0.00 0.00 C ATOM 2769 O4 U A 133 106.603 68.911 -10.362 0.00 0.00 O ATOM 2770 C5 U A 133 107.378 66.683 -10.312 0.00 0.00 C ATOM 2771 C6 U A 133 108.054 65.731 -9.623 0.00 0.00 C ATOM 2772 P G A 134 106.412 62.111 -5.514 0.00 0.00 P ATOM 2773 O1P G A 134 105.340 61.509 -6.336 0.00 0.00 O ATOM 2774 O2P G A 134 106.156 63.395 -4.840 0.00 0.00 O ATOM 2775 O5* G A 134 106.699 61.053 -4.369 0.00 0.00 O ATOM 2776 C5* G A 134 106.866 59.670 -4.642 0.00 0.00 C ATOM 2777 C4* G A 134 107.529 59.011 -3.434 0.00 0.00 C ATOM 2778 O4* G A 134 108.897 59.391 -3.360 0.00 0.00 O ATOM 2779 C3* G A 134 106.851 59.397 -2.116 0.00 0.00 C ATOM 2780 O3* G A 134 105.742 58.538 -1.848 0.00 0.00 O ATOM 2781 C2* G A 134 108.045 59.255 -1.161 0.00 0.00 C ATOM 2782 O2* G A 134 108.220 57.893 -0.784 0.00 0.00 O ATOM 2783 C1* G A 134 109.235 59.708 -2.017 0.00 0.00 C ATOM 2784 N9 G A 134 109.547 61.168 -1.932 0.00 0.00 N ATOM 2785 C8 G A 134 109.389 62.124 -2.908 0.00 0.00 C ATOM 2786 N7 G A 134 109.836 63.311 -2.594 0.00 0.00 N ATOM 2787 C5 G A 134 110.365 63.140 -1.308 0.00 0.00 C ATOM 2788 C6 G A 134 111.017 64.063 -0.401 0.00 0.00 C ATOM 2789 O6 G A 134 111.213 65.274 -0.494 0.00 0.00 O ATOM 2790 N1 G A 134 111.475 63.473 0.768 0.00 0.00 N ATOM 2791 C2 G A 134 111.226 62.166 1.080 0.00 0.00 C ATOM 2792 N2 G A 134 111.663 61.735 2.245 0.00 0.00 N ATOM 2793 N3 G A 134 110.579 61.299 0.297 0.00 0.00 N ATOM 2794 C4 G A 134 110.188 61.831 -0.900 0.00 0.00 C ATOM 2795 P C A 135 104.255 59.094 -1.612 0.00 0.00 P ATOM 2796 O1P C A 135 103.341 57.937 -1.438 0.00 0.00 O ATOM 2797 O2P C A 135 103.964 60.106 -2.660 0.00 0.00 O ATOM 2798 O5* C A 135 104.427 59.830 -0.191 0.00 0.00 O ATOM 2799 C5* C A 135 104.672 59.064 0.981 0.00 0.00 C ATOM 2800 C4* C A 135 105.463 59.837 2.044 0.00 0.00 C ATOM 2801 O4* C A 135 106.682 60.322 1.508 0.00 0.00 O ATOM 2802 C3* C A 135 104.749 61.041 2.636 0.00 0.00 C ATOM 2803 O3* C A 135 103.842 60.655 3.659 0.00 0.00 O ATOM 2804 C2* C A 135 105.958 61.837 3.160 0.00 0.00 C ATOM 2805 O2* C A 135 106.431 61.332 4.405 0.00 0.00 O ATOM 2806 C1* C A 135 107.034 61.561 2.101 0.00 0.00 C ATOM 2807 N1 C A 135 107.160 62.658 1.086 0.00 0.00 N ATOM 2808 C2 C A 135 107.996 63.746 1.373 0.00 0.00 C ATOM 2809 O2 C A 135 108.716 63.744 2.367 0.00 0.00 O ATOM 2810 N3 C A 135 108.055 64.819 0.539 0.00 0.00 N ATOM 2811 C4 C A 135 107.406 64.765 -0.617 0.00 0.00 C ATOM 2812 N4 C A 135 107.550 65.794 -1.422 0.00 0.00 N ATOM 2813 C5 C A 135 106.648 63.623 -1.018 0.00 0.00 C ATOM 2814 C6 C A 135 106.535 62.599 -0.135 0.00 0.00 C ATOM 2815 P C A 136 102.364 61.255 3.724 0.00 0.00 P ATOM 2816 O1P C A 136 101.715 60.811 4.985 0.00 0.00 O ATOM 2817 O2P C A 136 101.687 60.946 2.445 0.00 0.00 O ATOM 2818 O5* C A 136 102.620 62.833 3.794 0.00 0.00 O ATOM 2819 C5* C A 136 103.204 63.432 4.936 0.00 0.00 C ATOM 2820 C4* C A 136 103.166 64.963 4.857 0.00 0.00 C ATOM 2821 O4* C A 136 104.125 65.535 3.967 0.00 0.00 O ATOM 2822 C3* C A 136 101.784 65.494 4.467 0.00 0.00 C ATOM 2823 O3* C A 136 100.914 65.427 5.604 0.00 0.00 O ATOM 2824 C2* C A 136 102.207 66.905 4.026 0.00 0.00 C ATOM 2825 O2* C A 136 102.394 67.687 5.206 0.00 0.00 O ATOM 2826 C1* C A 136 103.531 66.632 3.274 0.00 0.00 C ATOM 2827 N1 C A 136 103.392 66.279 1.809 0.00 0.00 N ATOM 2828 C2 C A 136 103.249 67.292 0.836 0.00 0.00 C ATOM 2829 O2 C A 136 103.117 68.475 1.155 0.00 0.00 O ATOM 2830 N3 C A 136 103.253 66.986 -0.498 0.00 0.00 N ATOM 2831 C4 C A 136 103.413 65.716 -0.870 0.00 0.00 C ATOM 2832 N4 C A 136 103.468 65.426 -2.151 0.00 0.00 N ATOM 2833 C5 C A 136 103.566 64.661 0.069 0.00 0.00 C ATOM 2834 C6 C A 136 103.546 64.976 1.384 0.00 0.00 C ATOM 2835 P U A 137 99.319 65.264 5.473 0.00 0.00 P ATOM 2836 O1P U A 137 98.734 65.291 6.846 0.00 0.00 O ATOM 2837 O2P U A 137 99.023 64.121 4.587 0.00 0.00 O ATOM 2838 O5* U A 137 98.926 66.619 4.702 0.00 0.00 O ATOM 2839 C5* U A 137 99.039 67.888 5.323 0.00 0.00 C ATOM 2840 C4* U A 137 98.713 69.030 4.354 0.00 0.00 C ATOM 2841 O4* U A 137 99.647 69.155 3.289 0.00 0.00 O ATOM 2842 C3* U A 137 97.347 68.872 3.706 0.00 0.00 C ATOM 2843 O3* U A 137 96.315 69.218 4.610 0.00 0.00 O ATOM 2844 C2* U A 137 97.517 69.829 2.523 0.00 0.00 C ATOM 2845 O2* U A 137 97.476 71.196 2.927 0.00 0.00 O ATOM 2846 C1* U A 137 98.953 69.506 2.093 0.00 0.00 C ATOM 2847 N1 U A 137 99.044 68.407 1.082 0.00 0.00 N ATOM 2848 C2 U A 137 98.636 68.669 -0.233 0.00 0.00 C ATOM 2849 O2 U A 137 98.093 69.714 -0.589 0.00 0.00 O ATOM 2850 N3 U A 137 98.864 67.683 -1.171 0.00 0.00 N ATOM 2851 C4 U A 137 99.615 66.550 -0.964 0.00 0.00 C ATOM 2852 O4 U A 137 99.900 65.836 -1.909 0.00 0.00 O ATOM 2853 C5 U A 137 99.956 66.307 0.419 0.00 0.00 C ATOM 2854 C6 U A 137 99.625 67.193 1.391 0.00 0.00 C ATOM 2855 P G A 138 94.834 68.668 4.420 0.00 0.00 P ATOM 2856 O1P G A 138 93.977 69.332 5.431 0.00 0.00 O ATOM 2857 O2P G A 138 94.886 67.190 4.415 0.00 0.00 O ATOM 2858 O5* G A 138 94.394 69.178 2.969 0.00 0.00 O ATOM 2859 C5* G A 138 94.091 70.543 2.752 0.00 0.00 C ATOM 2860 C4* G A 138 93.692 70.816 1.303 0.00 0.00 C ATOM 2861 O4* G A 138 94.777 70.653 0.404 0.00 0.00 O ATOM 2862 C3* G A 138 92.595 69.890 0.793 0.00 0.00 C ATOM 2863 O3* G A 138 91.329 70.153 1.385 0.00 0.00 O ATOM 2864 C2* G A 138 92.709 70.200 -0.702 0.00 0.00 C ATOM 2865 O2* G A 138 92.132 71.447 -1.066 0.00 0.00 O ATOM 2866 C1* G A 138 94.229 70.328 -0.867 0.00 0.00 C ATOM 2867 N9 G A 138 94.814 69.069 -1.370 0.00 0.00 N ATOM 2868 C8 G A 138 95.470 68.075 -0.692 0.00 0.00 C ATOM 2869 N7 G A 138 95.914 67.113 -1.456 0.00 0.00 N ATOM 2870 C5 G A 138 95.483 67.475 -2.736 0.00 0.00 C ATOM 2871 C6 G A 138 95.622 66.829 -4.013 0.00 0.00 C ATOM 2872 O6 G A 138 96.207 65.787 -4.302 0.00 0.00 O ATOM 2873 N1 G A 138 94.985 67.513 -5.036 0.00 0.00 N ATOM 2874 C2 G A 138 94.345 68.712 -4.870 0.00 0.00 C ATOM 2875 N2 G A 138 93.769 69.263 -5.910 0.00 0.00 N ATOM 2876 N3 G A 138 94.219 69.346 -3.709 0.00 0.00 N ATOM 2877 C4 G A 138 94.803 68.672 -2.680 0.00 0.00 C ATOM 2878 P A A 139 90.169 69.036 1.405 0.00 0.00 P ATOM 2879 O1P A A 139 88.996 69.621 2.102 0.00 0.00 O ATOM 2880 O2P A A 139 90.747 67.762 1.901 0.00 0.00 O ATOM 2881 O5* A A 139 89.820 68.845 -0.159 0.00 0.00 O ATOM 2882 C5* A A 139 89.158 69.857 -0.901 0.00 0.00 C ATOM 2883 C4* A A 139 89.066 69.504 -2.392 0.00 0.00 C ATOM 2884 O4* A A 139 90.343 69.377 -3.007 0.00 0.00 O ATOM 2885 C3* A A 139 88.315 68.203 -2.662 0.00 0.00 C ATOM 2886 O3* A A 139 86.910 68.378 -2.539 0.00 0.00 O ATOM 2887 C2* A A 139 88.800 67.925 -4.091 0.00 0.00 C ATOM 2888 O2* A A 139 88.138 68.728 -5.064 0.00 0.00 O ATOM 2889 C1* A A 139 90.268 68.367 -4.009 0.00 0.00 C ATOM 2890 N9 A A 139 91.160 67.235 -3.661 0.00 0.00 N ATOM 2891 C8 A A 139 91.678 66.886 -2.438 0.00 0.00 C ATOM 2892 N7 A A 139 92.479 65.854 -2.460 0.00 0.00 N ATOM 2893 C5 A A 139 92.489 65.494 -3.814 0.00 0.00 C ATOM 2894 C6 A A 139 93.138 64.484 -4.563 0.00 0.00 C ATOM 2895 N6 A A 139 94.015 63.633 -4.056 0.00 0.00 N ATOM 2896 N1 A A 139 92.885 64.347 -5.872 0.00 0.00 N ATOM 2897 C2 A A 139 92.064 65.221 -6.445 0.00 0.00 C ATOM 2898 N3 A A 139 91.414 66.236 -5.881 0.00 0.00 N ATOM 2899 C4 A A 139 91.670 66.314 -4.546 0.00 0.00 C ATOM 2900 P U A 140 85.926 67.137 -2.333 0.00 0.00 P ATOM 2901 O1P U A 140 84.531 67.643 -2.400 0.00 0.00 O ATOM 2902 O2P U A 140 86.286 66.334 -1.152 0.00 0.00 O ATOM 2903 O5* U A 140 86.114 66.216 -3.615 0.00 0.00 O ATOM 2904 C5* U A 140 85.555 66.595 -4.855 0.00 0.00 C ATOM 2905 C4* U A 140 85.859 65.569 -5.939 0.00 0.00 C ATOM 2906 O4* U A 140 87.252 65.474 -6.193 0.00 0.00 O ATOM 2907 C3* U A 140 85.362 64.176 -5.572 0.00 0.00 C ATOM 2908 O3* U A 140 83.950 64.078 -5.747 0.00 0.00 O ATOM 2909 C2* U A 140 86.213 63.357 -6.546 0.00 0.00 C ATOM 2910 O2* U A 140 85.662 63.343 -7.861 0.00 0.00 O ATOM 2911 C1* U A 140 87.548 64.131 -6.555 0.00 0.00 C ATOM 2912 N1 U A 140 88.582 63.532 -5.652 0.00 0.00 N ATOM 2913 C2 U A 140 89.387 62.513 -6.174 0.00 0.00 C ATOM 2914 O2 U A 140 89.241 62.068 -7.310 0.00 0.00 O ATOM 2915 N3 U A 140 90.369 61.997 -5.348 0.00 0.00 N ATOM 2916 C4 U A 140 90.605 62.372 -4.045 0.00 0.00 C ATOM 2917 O4 U A 140 91.461 61.790 -3.386 0.00 0.00 O ATOM 2918 C5 U A 140 89.758 63.451 -3.578 0.00 0.00 C ATOM 2919 C6 U A 140 88.786 63.986 -4.365 0.00 0.00 C ATOM 2920 P G A 141 83.065 63.062 -4.884 0.00 0.00 P ATOM 2921 O1P G A 141 81.644 63.201 -5.302 0.00 0.00 O ATOM 2922 O2P G A 141 83.301 63.242 -3.435 0.00 0.00 O ATOM 2923 O5* G A 141 83.563 61.583 -5.280 0.00 0.00 O ATOM 2924 C5* G A 141 83.258 61.020 -6.548 0.00 0.00 C ATOM 2925 C4* G A 141 84.116 59.806 -6.907 0.00 0.00 C ATOM 2926 O4* G A 141 85.475 60.213 -7.004 0.00 0.00 O ATOM 2927 C3* G A 141 84.085 58.606 -5.953 0.00 0.00 C ATOM 2928 O3* G A 141 82.892 57.807 -5.983 0.00 0.00 O ATOM 2929 C2* G A 141 85.344 57.910 -6.493 0.00 0.00 C ATOM 2930 O2* G A 141 85.147 57.312 -7.769 0.00 0.00 O ATOM 2931 C1* G A 141 86.290 59.094 -6.708 0.00 0.00 C ATOM 2932 N9 G A 141 87.158 59.317 -5.528 0.00 0.00 N ATOM 2933 C8 G A 141 87.076 60.203 -4.480 0.00 0.00 C ATOM 2934 N7 G A 141 88.023 60.065 -3.580 0.00 0.00 N ATOM 2935 C5 G A 141 88.816 59.031 -4.098 0.00 0.00 C ATOM 2936 C6 G A 141 89.984 58.363 -3.582 0.00 0.00 C ATOM 2937 O6 G A 141 90.562 58.566 -2.512 0.00 0.00 O ATOM 2938 N1 G A 141 90.413 57.313 -4.378 0.00 0.00 N ATOM 2939 C2 G A 141 89.753 56.922 -5.509 0.00 0.00 C ATOM 2940 N2 G A 141 90.170 55.874 -6.158 0.00 0.00 N ATOM 2941 N3 G A 141 88.665 57.498 -5.995 0.00 0.00 N ATOM 2942 C4 G A 141 88.256 58.556 -5.258 0.00 0.00 C ATOM 2943 P G A 142 82.595 56.704 -4.835 0.00 0.00 P ATOM 2944 O1P G A 142 81.355 55.929 -5.108 0.00 0.00 O ATOM 2945 O2P G A 142 82.752 57.342 -3.508 0.00 0.00 O ATOM 2946 O5* G A 142 83.766 55.642 -4.981 0.00 0.00 O ATOM 2947 C5* G A 142 83.849 54.824 -6.134 0.00 0.00 C ATOM 2948 C4* G A 142 85.104 53.977 -6.066 0.00 0.00 C ATOM 2949 O4* G A 142 86.298 54.751 -5.985 0.00 0.00 O ATOM 2950 C3* G A 142 85.124 53.020 -4.873 0.00 0.00 C ATOM 2951 O3* G A 142 84.211 51.943 -5.034 0.00 0.00 O ATOM 2952 C2* G A 142 86.594 52.635 -4.977 0.00 0.00 C ATOM 2953 O2* G A 142 86.752 51.814 -6.124 0.00 0.00 O ATOM 2954 C1* G A 142 87.243 54.009 -5.221 0.00 0.00 C ATOM 2955 N9 G A 142 87.590 54.730 -3.959 0.00 0.00 N ATOM 2956 C8 G A 142 87.014 55.825 -3.359 0.00 0.00 C ATOM 2957 N7 G A 142 87.656 56.280 -2.306 0.00 0.00 N ATOM 2958 C5 G A 142 88.736 55.391 -2.173 0.00 0.00 C ATOM 2959 C6 G A 142 89.826 55.305 -1.224 0.00 0.00 C ATOM 2960 O6 G A 142 90.070 56.006 -0.240 0.00 0.00 O ATOM 2961 N1 G A 142 90.717 54.276 -1.502 0.00 0.00 N ATOM 2962 C2 G A 142 90.581 53.431 -2.563 0.00 0.00 C ATOM 2963 N2 G A 142 91.501 52.521 -2.763 0.00 0.00 N ATOM 2964 N3 G A 142 89.581 53.470 -3.431 0.00 0.00 N ATOM 2965 C4 G A 142 88.694 54.465 -3.192 0.00 0.00 C ATOM 2966 P A A 143 83.891 50.918 -3.840 0.00 0.00 P ATOM 2967 O1P A A 143 82.900 49.955 -4.351 0.00 0.00 O ATOM 2968 O2P A A 143 83.539 51.746 -2.665 0.00 0.00 O ATOM 2969 O5* A A 143 85.250 50.115 -3.493 0.00 0.00 O ATOM 2970 C5* A A 143 85.759 49.091 -4.344 0.00 0.00 C ATOM 2971 C4* A A 143 87.087 48.526 -3.818 0.00 0.00 C ATOM 2972 O4* A A 143 88.062 49.559 -3.760 0.00 0.00 O ATOM 2973 C3* A A 143 87.028 47.925 -2.410 0.00 0.00 C ATOM 2974 O3* A A 143 86.488 46.617 -2.346 0.00 0.00 O ATOM 2975 C2* A A 143 88.511 47.990 -2.036 0.00 0.00 C ATOM 2976 O2* A A 143 89.343 47.046 -2.693 0.00 0.00 O ATOM 2977 C1* A A 143 88.889 49.345 -2.627 0.00 0.00 C ATOM 2978 N9 A A 143 88.690 50.421 -1.635 0.00 0.00 N ATOM 2979 C8 A A 143 87.673 51.336 -1.513 0.00 0.00 C ATOM 2980 N7 A A 143 87.817 52.170 -0.517 0.00 0.00 N ATOM 2981 C5 A A 143 89.014 51.756 0.075 0.00 0.00 C ATOM 2982 C6 A A 143 89.771 52.178 1.192 0.00 0.00 C ATOM 2983 N6 A A 143 89.476 53.220 1.955 0.00 0.00 N ATOM 2984 N1 A A 143 90.875 51.509 1.552 0.00 0.00 N ATOM 2985 C2 A A 143 91.259 50.487 0.792 0.00 0.00 C ATOM 2986 N3 A A 143 90.668 49.995 -0.285 0.00 0.00 N ATOM 2987 C4 A A 143 89.538 50.683 -0.593 0.00 0.00 C ATOM 2988 P G A 144 85.901 45.996 -0.982 0.00 0.00 P ATOM 2989 O1P G A 144 84.908 46.967 -0.451 0.00 0.00 O ATOM 2990 O2P G A 144 87.010 45.528 -0.102 0.00 0.00 O ATOM 2991 O5* G A 144 85.129 44.711 -1.584 0.00 0.00 O ATOM 2992 C5* G A 144 83.761 44.745 -1.976 0.00 0.00 C ATOM 2993 C4* G A 144 83.467 43.850 -3.188 0.00 0.00 C ATOM 2994 O4* G A 144 83.854 44.499 -4.388 0.00 0.00 O ATOM 2995 C3* G A 144 84.140 42.477 -3.187 0.00 0.00 C ATOM 2996 O3* G A 144 83.480 41.596 -2.286 0.00 0.00 O ATOM 2997 C2* G A 144 83.992 42.143 -4.682 0.00 0.00 C ATOM 2998 O2* G A 144 82.676 41.741 -5.038 0.00 0.00 O ATOM 2999 C1* G A 144 84.257 43.513 -5.322 0.00 0.00 C ATOM 3000 N9 G A 144 85.685 43.722 -5.653 0.00 0.00 N ATOM 3001 C8 G A 144 86.619 44.543 -5.074 0.00 0.00 C ATOM 3002 N7 G A 144 87.797 44.492 -5.636 0.00 0.00 N ATOM 3003 C5 G A 144 87.642 43.563 -6.672 0.00 0.00 C ATOM 3004 C6 G A 144 88.555 43.029 -7.655 0.00 0.00 C ATOM 3005 O6 G A 144 89.753 43.236 -7.841 0.00 0.00 O ATOM 3006 N1 G A 144 87.953 42.135 -8.523 0.00 0.00 N ATOM 3007 C2 G A 144 86.631 41.796 -8.463 0.00 0.00 C ATOM 3008 N2 G A 144 86.165 40.925 -9.323 0.00 0.00 N ATOM 3009 N3 G A 144 85.764 42.247 -7.567 0.00 0.00 N ATOM 3010 C4 G A 144 86.334 43.125 -6.698 0.00 0.00 C ATOM 3011 P G A 145 84.197 40.309 -1.649 0.00 0.00 P ATOM 3012 O1P G A 145 83.248 39.610 -0.766 0.00 0.00 O ATOM 3013 O2P G A 145 85.515 40.683 -1.087 0.00 0.00 O ATOM 3014 O5* G A 145 84.531 39.334 -2.868 0.00 0.00 O ATOM 3015 C5* G A 145 83.534 38.546 -3.494 0.00 0.00 C ATOM 3016 C4* G A 145 84.114 37.836 -4.718 0.00 0.00 C ATOM 3017 O4* G A 145 84.437 38.822 -5.689 0.00 0.00 O ATOM 3018 C3* G A 145 85.389 37.031 -4.449 0.00 0.00 C ATOM 3019 O3* G A 145 85.181 35.736 -3.917 0.00 0.00 O ATOM 3020 C2* G A 145 86.002 37.034 -5.844 0.00 0.00 C ATOM 3021 O2* G A 145 85.387 36.181 -6.798 0.00 0.00 O ATOM 3022 C1* G A 145 85.682 38.472 -6.259 0.00 0.00 C ATOM 3023 N9 G A 145 86.781 39.373 -5.841 0.00 0.00 N ATOM 3024 C8 G A 145 86.948 40.256 -4.801 0.00 0.00 C ATOM 3025 N7 G A 145 88.125 40.824 -4.770 0.00 0.00 N ATOM 3026 C5 G A 145 88.825 40.211 -5.812 0.00 0.00 C ATOM 3027 C6 G A 145 90.195 40.275 -6.254 0.00 0.00 C ATOM 3028 O6 G A 145 91.111 40.995 -5.880 0.00 0.00 O ATOM 3029 N1 G A 145 90.493 39.324 -7.219 0.00 0.00 N ATOM 3030 C2 G A 145 89.549 38.476 -7.736 0.00 0.00 C ATOM 3031 N2 G A 145 89.826 37.421 -8.441 0.00 0.00 N ATOM 3032 N3 G A 145 88.279 38.461 -7.438 0.00 0.00 N ATOM 3033 C4 G A 145 87.988 39.331 -6.450 0.00 0.00 C ATOM 3034 P G A 146 86.359 34.975 -3.127 0.00 0.00 P ATOM 3035 O1P G A 146 85.797 33.739 -2.551 0.00 0.00 O ATOM 3036 O2P G A 146 87.024 35.972 -2.251 0.00 0.00 O ATOM 3037 O5* G A 146 87.382 34.556 -4.300 0.00 0.00 O ATOM 3038 C5* G A 146 87.061 33.516 -5.212 0.00 0.00 C ATOM 3039 C4* G A 146 88.170 33.341 -6.249 0.00 0.00 C ATOM 3040 O4* G A 146 88.479 34.591 -6.863 0.00 0.00 O ATOM 3041 C3* G A 146 89.496 32.807 -5.702 0.00 0.00 C ATOM 3042 O3* G A 146 89.541 31.426 -5.394 0.00 0.00 O ATOM 3043 C2* G A 146 90.391 33.180 -6.884 0.00 0.00 C ATOM 3044 O2* G A 146 90.164 32.413 -8.063 0.00 0.00 O ATOM 3045 C1* G A 146 89.872 34.587 -7.140 0.00 0.00 C ATOM 3046 N9 G A 146 90.648 35.557 -6.322 0.00 0.00 N ATOM 3047 C8 G A 146 90.378 36.230 -5.156 0.00 0.00 C ATOM 3048 N7 G A 146 91.349 37.024 -4.770 0.00 0.00 N ATOM 3049 C5 G A 146 92.338 36.879 -5.753 0.00 0.00 C ATOM 3050 C6 G A 146 93.642 37.473 -5.961 0.00 0.00 C ATOM 3051 O6 G A 146 94.270 38.294 -5.291 0.00 0.00 O ATOM 3052 N1 G A 146 94.260 37.021 -7.120 0.00 0.00 N ATOM 3053 C2 G A 146 93.688 36.141 -7.992 0.00 0.00 C ATOM 3054 N2 G A 146 94.345 35.736 -9.045 0.00 0.00 N ATOM 3055 N3 G A 146 92.475 35.632 -7.867 0.00 0.00 N ATOM 3056 C4 G A 146 91.876 36.004 -6.709 0.00 0.00 C ATOM 3057 P G A 147 90.765 30.819 -4.548 0.00 0.00 P ATOM 3058 O1P G A 147 90.561 29.375 -4.341 0.00 0.00 O ATOM 3059 O2P G A 147 91.023 31.670 -3.365 0.00 0.00 O ATOM 3060 O5* G A 147 92.070 30.989 -5.469 0.00 0.00 O ATOM 3061 C5* G A 147 92.271 30.127 -6.568 0.00 0.00 C ATOM 3062 C4* G A 147 93.521 30.465 -7.385 0.00 0.00 C ATOM 3063 O4* G A 147 93.456 31.815 -7.853 0.00 0.00 O ATOM 3064 C3* G A 147 94.866 30.332 -6.661 0.00 0.00 C ATOM 3065 O3* G A 147 95.326 29.010 -6.344 0.00 0.00 O ATOM 3066 C2* G A 147 95.709 31.134 -7.672 0.00 0.00 C ATOM 3067 O2* G A 147 95.883 30.481 -8.925 0.00 0.00 O ATOM 3068 C1* G A 147 94.778 32.343 -7.844 0.00 0.00 C ATOM 3069 N9 G A 147 94.971 33.312 -6.727 0.00 0.00 N ATOM 3070 C8 G A 147 94.178 33.622 -5.648 0.00 0.00 C ATOM 3071 N7 G A 147 94.693 34.513 -4.839 0.00 0.00 N ATOM 3072 C5 G A 147 95.935 34.820 -5.413 0.00 0.00 C ATOM 3073 C6 G A 147 97.004 35.717 -5.029 0.00 0.00 C ATOM 3074 O6 G A 147 97.098 36.500 -4.082 0.00 0.00 O ATOM 3075 N1 G A 147 98.093 35.651 -5.886 0.00 0.00 N ATOM 3076 C2 G A 147 98.136 34.859 -7.000 0.00 0.00 C ATOM 3077 N2 G A 147 99.223 34.824 -7.729 0.00 0.00 N ATOM 3078 N3 G A 147 97.162 34.059 -7.405 0.00 0.00 N ATOM 3079 C4 G A 147 96.092 34.079 -6.567 0.00 0.00 C ATOM 3080 P G A 148 96.485 28.810 -5.231 0.00 0.00 P ATOM 3081 O1P G A 148 96.733 27.405 -4.819 0.00 0.00 O ATOM 3082 O2P G A 148 96.242 29.798 -4.165 0.00 0.00 O ATOM 3083 O5* G A 148 97.772 29.249 -6.049 0.00 0.00 O ATOM 3084 C5* G A 148 98.218 28.652 -7.257 0.00 0.00 C ATOM 3085 C4* G A 148 99.493 29.411 -7.623 0.00 0.00 C ATOM 3086 O4* G A 148 99.197 30.805 -7.757 0.00 0.00 O ATOM 3087 C3* G A 148 100.531 29.241 -6.511 0.00 0.00 C ATOM 3088 O3* G A 148 101.317 28.053 -6.652 0.00 0.00 O ATOM 3089 C2* G A 148 101.222 30.604 -6.575 0.00 0.00 C ATOM 3090 O2* G A 148 102.143 30.762 -7.636 0.00 0.00 O ATOM 3091 C1* G A 148 100.057 31.537 -6.896 0.00 0.00 C ATOM 3092 N9 G A 148 99.419 32.076 -5.661 0.00 0.00 N ATOM 3093 C8 G A 148 98.155 31.952 -5.122 0.00 0.00 C ATOM 3094 N7 G A 148 97.947 32.658 -4.047 0.00 0.00 N ATOM 3095 C5 G A 148 99.136 33.354 -3.880 0.00 0.00 C ATOM 3096 C6 G A 148 99.505 34.374 -2.944 0.00 0.00 C ATOM 3097 O6 G A 148 98.914 34.814 -1.957 0.00 0.00 O ATOM 3098 N1 G A 148 100.711 34.951 -3.267 0.00 0.00 N ATOM 3099 C2 G A 148 101.547 34.528 -4.254 0.00 0.00 C ATOM 3100 N2 G A 148 102.681 35.170 -4.446 0.00 0.00 N ATOM 3101 N3 G A 148 101.263 33.553 -5.106 0.00 0.00 N ATOM 3102 C4 G A 148 100.028 33.017 -4.876 0.00 0.00 C ATOM 3103 P A A 149 102.119 27.450 -5.390 0.00 0.00 P ATOM 3104 O1P A A 149 102.729 26.137 -5.691 0.00 0.00 O ATOM 3105 O2P A A 149 101.218 27.577 -4.214 0.00 0.00 O ATOM 3106 O5* A A 149 103.343 28.492 -5.341 0.00 0.00 O ATOM 3107 C5* A A 149 104.206 28.604 -6.471 0.00 0.00 C ATOM 3108 C4* A A 149 105.146 29.799 -6.332 0.00 0.00 C ATOM 3109 O4* A A 149 104.451 31.001 -6.018 0.00 0.00 O ATOM 3110 C3* A A 149 106.176 29.544 -5.249 0.00 0.00 C ATOM 3111 O3* A A 149 107.254 28.811 -5.805 0.00 0.00 O ATOM 3112 C2* A A 149 106.512 30.971 -4.834 0.00 0.00 C ATOM 3113 O2* A A 149 107.443 31.600 -5.702 0.00 0.00 O ATOM 3114 C1* A A 149 105.171 31.684 -4.994 0.00 0.00 C ATOM 3115 N9 A A 149 104.414 31.730 -3.716 0.00 0.00 N ATOM 3116 C8 A A 149 103.265 31.069 -3.349 0.00 0.00 C ATOM 3117 N7 A A 149 102.772 31.452 -2.203 0.00 0.00 N ATOM 3118 C5 A A 149 103.691 32.398 -1.742 0.00 0.00 C ATOM 3119 C6 A A 149 103.793 33.211 -0.584 0.00 0.00 C ATOM 3120 N6 A A 149 102.865 33.303 0.354 0.00 0.00 N ATOM 3121 N1 A A 149 104.849 34.028 -0.420 0.00 0.00 N ATOM 3122 C2 A A 149 105.757 34.064 -1.390 0.00 0.00 C ATOM 3123 N3 A A 149 105.769 33.400 -2.543 0.00 0.00 N ATOM 3124 C4 A A 149 104.700 32.561 -2.655 0.00 0.00 C ATOM 3125 P U A 150 108.152 27.866 -4.899 0.00 0.00 P ATOM 3126 O1P U A 150 109.065 27.176 -5.842 0.00 0.00 O ATOM 3127 O2P U A 150 107.221 27.071 -4.050 0.00 0.00 O ATOM 3128 O5* U A 150 108.990 28.951 -4.039 0.00 0.00 O ATOM 3129 C5* U A 150 109.973 29.787 -4.645 0.00 0.00 C ATOM 3130 C4* U A 150 110.411 30.963 -3.751 0.00 0.00 C ATOM 3131 O4* U A 150 109.305 31.763 -3.338 0.00 0.00 O ATOM 3132 C3* U A 150 111.176 30.528 -2.507 0.00 0.00 C ATOM 3133 O3* U A 150 112.560 30.326 -2.795 0.00 0.00 O ATOM 3134 C2* U A 150 110.892 31.706 -1.566 0.00 0.00 C ATOM 3135 O2* U A 150 111.769 32.804 -1.764 0.00 0.00 O ATOM 3136 C1* U A 150 109.500 32.179 -1.981 0.00 0.00 C ATOM 3137 N1 U A 150 108.431 31.685 -1.059 0.00 0.00 N ATOM 3138 C2 U A 150 108.132 32.433 0.092 0.00 0.00 C ATOM 3139 O2 U A 150 108.743 33.448 0.416 0.00 0.00 O ATOM 3140 N3 U A 150 107.072 31.998 0.875 0.00 0.00 N ATOM 3141 C4 U A 150 106.204 30.985 0.533 0.00 0.00 C ATOM 3142 O4 U A 150 105.240 30.739 1.240 0.00 0.00 O ATOM 3143 C5 U A 150 106.583 30.245 -0.650 0.00 0.00 C ATOM 3144 C6 U A 150 107.683 30.573 -1.373 0.00 0.00 C ATOM 3145 P A A 151 113.494 29.550 -1.747 0.00 0.00 P ATOM 3146 O1P A A 151 114.831 29.464 -2.377 0.00 0.00 O ATOM 3147 O2P A A 151 112.786 28.341 -1.304 0.00 0.00 O ATOM 3148 O5* A A 151 113.600 30.598 -0.550 0.00 0.00 O ATOM 3149 C5* A A 151 113.807 30.141 0.771 0.00 0.00 C ATOM 3150 C4* A A 151 113.858 31.336 1.712 0.00 0.00 C ATOM 3151 O4* A A 151 112.641 32.075 1.687 0.00 0.00 O ATOM 3152 C3* A A 151 114.074 30.899 3.160 0.00 0.00 C ATOM 3153 O3* A A 151 115.443 30.583 3.394 0.00 0.00 O ATOM 3154 C2* A A 151 113.611 32.191 3.844 0.00 0.00 C ATOM 3155 O2* A A 151 114.688 33.117 3.768 0.00 0.00 O ATOM 3156 C1* A A 151 112.454 32.683 2.958 0.00 0.00 C ATOM 3157 N9 A A 151 111.098 32.328 3.470 0.00 0.00 N ATOM 3158 C8 A A 151 110.188 31.440 2.946 0.00 0.00 C ATOM 3159 N7 A A 151 109.049 31.378 3.589 0.00 0.00 N ATOM 3160 C5 A A 151 109.205 32.321 4.617 0.00 0.00 C ATOM 3161 C6 A A 151 108.398 32.807 5.688 0.00 0.00 C ATOM 3162 N6 A A 151 107.186 32.403 6.023 0.00 0.00 N ATOM 3163 N1 A A 151 108.836 33.772 6.499 0.00 0.00 N ATOM 3164 C2 A A 151 110.051 34.248 6.283 0.00 0.00 C ATOM 3165 N3 A A 151 110.934 33.882 5.354 0.00 0.00 N ATOM 3166 C4 A A 151 110.445 32.910 4.536 0.00 0.00 C ATOM 3167 P A A 152 115.916 29.551 4.527 0.00 0.00 P ATOM 3168 O1P A A 152 117.379 29.726 4.705 0.00 0.00 O ATOM 3169 O2P A A 152 115.355 28.228 4.160 0.00 0.00 O ATOM 3170 O5* A A 152 115.165 30.027 5.872 0.00 0.00 O ATOM 3171 C5* A A 152 115.528 31.180 6.619 0.00 0.00 C ATOM 3172 C4* A A 152 114.426 31.442 7.658 0.00 0.00 C ATOM 3173 O4* A A 152 113.183 31.428 6.974 0.00 0.00 O ATOM 3174 C3* A A 152 114.255 30.365 8.722 0.00 0.00 C ATOM 3175 O3* A A 152 115.186 30.407 9.810 0.00 0.00 O ATOM 3176 C2* A A 152 112.797 30.644 9.148 0.00 0.00 C ATOM 3177 O2* A A 152 112.678 31.690 10.110 0.00 0.00 O ATOM 3178 C1* A A 152 112.137 31.167 7.867 0.00 0.00 C ATOM 3179 N9 A A 152 111.142 30.243 7.266 0.00 0.00 N ATOM 3180 C8 A A 152 111.224 29.433 6.159 0.00 0.00 C ATOM 3181 N7 A A 152 110.144 28.723 5.929 0.00 0.00 N ATOM 3182 C5 A A 152 109.265 29.125 6.950 0.00 0.00 C ATOM 3183 C6 A A 152 107.940 28.792 7.357 0.00 0.00 C ATOM 3184 N6 A A 152 107.158 27.864 6.824 0.00 0.00 N ATOM 3185 N1 A A 152 107.384 29.379 8.429 0.00 0.00 N ATOM 3186 C2 A A 152 108.112 30.280 9.078 0.00 0.00 C ATOM 3187 N3 A A 152 109.348 30.689 8.835 0.00 0.00 N ATOM 3188 C4 A A 152 109.872 30.064 7.746 0.00 0.00 C ATOM 3189 P C A 153 116.110 29.135 10.166 0.00 0.00 P ATOM 3190 O1P C A 153 116.781 29.309 11.477 0.00 0.00 O ATOM 3191 O2P C A 153 116.968 28.816 9.009 0.00 0.00 O ATOM 3192 O5* C A 153 115.011 27.979 10.395 0.00 0.00 O ATOM 3193 C5* C A 153 114.059 28.057 11.453 0.00 0.00 C ATOM 3194 C4* C A 153 112.918 27.025 11.338 0.00 0.00 C ATOM 3195 O4* C A 153 111.964 27.338 10.324 0.00 0.00 O ATOM 3196 C3* C A 153 113.415 25.612 11.063 0.00 0.00 C ATOM 3197 O3* C A 153 113.826 24.970 12.259 0.00 0.00 O ATOM 3198 C2* C A 153 112.178 24.977 10.416 0.00 0.00 C ATOM 3199 O2* C A 153 111.203 24.553 11.360 0.00 0.00 O ATOM 3200 C1* C A 153 111.587 26.146 9.626 0.00 0.00 C ATOM 3201 N1 C A 153 112.081 26.172 8.218 0.00 0.00 N ATOM 3202 C2 C A 153 111.456 25.391 7.225 0.00 0.00 C ATOM 3203 O2 C A 153 110.586 24.563 7.508 0.00 0.00 O ATOM 3204 N3 C A 153 111.822 25.524 5.920 0.00 0.00 N ATOM 3205 C4 C A 153 112.784 26.394 5.624 0.00 0.00 C ATOM 3206 N4 C A 153 113.107 26.576 4.377 0.00 0.00 N ATOM 3207 C5 C A 153 113.506 27.127 6.602 0.00 0.00 C ATOM 3208 C6 C A 153 113.130 26.987 7.886 0.00 0.00 C ATOM 3209 P U A 154 114.982 23.870 12.224 0.00 0.00 P ATOM 3210 O1P U A 154 115.006 23.218 13.558 0.00 0.00 O ATOM 3211 O2P U A 154 116.199 24.538 11.710 0.00 0.00 O ATOM 3212 O5* U A 154 114.409 22.791 11.169 0.00 0.00 O ATOM 3213 C5* U A 154 113.395 21.874 11.557 0.00 0.00 C ATOM 3214 C4* U A 154 112.936 20.960 10.421 0.00 0.00 C ATOM 3215 O4* U A 154 112.246 21.622 9.372 0.00 0.00 O ATOM 3216 C3* U A 154 114.085 20.201 9.769 0.00 0.00 C ATOM 3217 O3* U A 154 114.534 19.151 10.591 0.00 0.00 O ATOM 3218 C2* U A 154 113.359 19.689 8.531 0.00 0.00 C ATOM 3219 O2* U A 154 112.506 18.586 8.861 0.00 0.00 O ATOM 3220 C1* U A 154 112.548 20.943 8.153 0.00 0.00 C ATOM 3221 N1 U A 154 113.306 21.823 7.210 0.00 0.00 N ATOM 3222 C2 U A 154 113.272 21.488 5.854 0.00 0.00 C ATOM 3223 O2 U A 154 112.678 20.501 5.428 0.00 0.00 O ATOM 3224 N3 U A 154 113.951 22.316 4.984 0.00 0.00 N ATOM 3225 C4 U A 154 114.668 23.437 5.323 0.00 0.00 C ATOM 3226 O4 U A 154 115.243 24.067 4.441 0.00 0.00 O ATOM 3227 C5 U A 154 114.666 23.728 6.744 0.00 0.00 C ATOM 3228 C6 U A 154 114.015 22.930 7.634 0.00 0.00 C ATOM 3229 P A A 155 115.996 18.527 10.442 0.00 0.00 P ATOM 3230 O1P A A 155 115.940 17.405 11.401 0.00 0.00 O ATOM 3231 O2P A A 155 116.975 19.621 10.569 0.00 0.00 O ATOM 3232 O5* A A 155 116.027 17.919 8.951 0.00 0.00 O ATOM 3233 C5* A A 155 115.551 16.610 8.674 0.00 0.00 C ATOM 3234 C4* A A 155 115.808 16.186 7.228 0.00 0.00 C ATOM 3235 O4* A A 155 115.085 17.019 6.331 0.00 0.00 O ATOM 3236 C3* A A 155 117.273 16.210 6.792 0.00 0.00 C ATOM 3237 O3* A A 155 118.009 15.097 7.285 0.00 0.00 O ATOM 3238 C2* A A 155 117.058 16.215 5.273 0.00 0.00 C ATOM 3239 O2* A A 155 116.690 14.949 4.747 0.00 0.00 O ATOM 3240 C1* A A 155 115.837 17.123 5.132 0.00 0.00 C ATOM 3241 N9 A A 155 116.265 18.520 4.927 0.00 0.00 N ATOM 3242 C8 A A 155 116.414 19.526 5.850 0.00 0.00 C ATOM 3243 N7 A A 155 116.863 20.645 5.352 0.00 0.00 N ATOM 3244 C5 A A 155 117.033 20.342 3.997 0.00 0.00 C ATOM 3245 C6 A A 155 117.521 21.053 2.882 0.00 0.00 C ATOM 3246 N6 A A 155 117.912 22.312 2.942 0.00 0.00 N ATOM 3247 N1 A A 155 117.624 20.461 1.682 0.00 0.00 N ATOM 3248 C2 A A 155 117.226 19.197 1.579 0.00 0.00 C ATOM 3249 N3 A A 155 116.747 18.406 2.533 0.00 0.00 N ATOM 3250 C4 A A 155 116.677 19.049 3.732 0.00 0.00 C ATOM 3251 P C A 156 119.615 15.069 7.264 0.00 0.00 P ATOM 3252 O1P C A 156 120.101 13.871 7.970 0.00 0.00 O ATOM 3253 O2P C A 156 120.108 16.390 7.720 0.00 0.00 O ATOM 3254 O5* C A 156 120.016 14.939 5.722 0.00 0.00 O ATOM 3255 C5* C A 156 119.841 13.753 4.970 0.00 0.00 C ATOM 3256 C4* C A 156 120.258 13.988 3.505 0.00 0.00 C ATOM 3257 O4* C A 156 119.445 14.969 2.845 0.00 0.00 O ATOM 3258 C3* C A 156 121.689 14.498 3.356 0.00 0.00 C ATOM 3259 O3* C A 156 122.703 13.531 3.555 0.00 0.00 O ATOM 3260 C2* C A 156 121.625 15.050 1.928 0.00 0.00 C ATOM 3261 O2* C A 156 121.566 14.047 0.921 0.00 0.00 O ATOM 3262 C1* C A 156 120.266 15.750 1.960 0.00 0.00 C ATOM 3263 N1 C A 156 120.408 17.171 2.419 0.00 0.00 N ATOM 3264 C2 C A 156 120.832 18.170 1.519 0.00 0.00 C ATOM 3265 O2 C A 156 121.153 17.908 0.357 0.00 0.00 O ATOM 3266 N3 C A 156 120.925 19.466 1.934 0.00 0.00 N ATOM 3267 C4 C A 156 120.594 19.767 3.187 0.00 0.00 C ATOM 3268 N4 C A 156 120.680 21.020 3.567 0.00 0.00 N ATOM 3269 C5 C A 156 120.191 18.792 4.141 0.00 0.00 C ATOM 3270 C6 C A 156 120.138 17.508 3.723 0.00 0.00 C ATOM 3271 P U A 157 124.193 13.994 3.940 0.00 0.00 P ATOM 3272 O1P U A 157 125.028 12.789 4.110 0.00 0.00 O ATOM 3273 O2P U A 157 124.099 14.998 5.024 0.00 0.00 O ATOM 3274 O5* U A 157 124.682 14.765 2.613 0.00 0.00 O ATOM 3275 C5* U A 157 124.987 14.054 1.427 0.00 0.00 C ATOM 3276 C4* U A 157 125.367 15.012 0.295 0.00 0.00 C ATOM 3277 O4* U A 157 124.333 15.960 0.023 0.00 0.00 O ATOM 3278 C3* U A 157 126.599 15.857 0.589 0.00 0.00 C ATOM 3279 O3* U A 157 127.839 15.179 0.543 0.00 0.00 O ATOM 3280 C2* U A 157 126.440 16.904 -0.513 0.00 0.00 C ATOM 3281 O2* U A 157 126.678 16.416 -1.825 0.00 0.00 O ATOM 3282 C1* U A 157 124.942 17.184 -0.395 0.00 0.00 C ATOM 3283 N1 U A 157 124.720 18.322 0.542 0.00 0.00 N ATOM 3284 C2 U A 157 125.049 19.595 0.072 0.00 0.00 C ATOM 3285 O2 U A 157 125.553 19.808 -1.026 0.00 0.00 O ATOM 3286 N3 U A 157 124.803 20.656 0.913 0.00 0.00 N ATOM 3287 C4 U A 157 124.390 20.574 2.219 0.00 0.00 C ATOM 3288 O4 U A 157 124.332 21.601 2.882 0.00 0.00 O ATOM 3289 C5 U A 157 124.090 19.225 2.659 0.00 0.00 C ATOM 3290 C6 U A 157 124.255 18.156 1.831 0.00 0.00 C ATOM 3291 P G A 158 129.159 15.875 1.133 0.00 0.00 P ATOM 3292 O1P G A 158 130.259 14.895 1.114 0.00 0.00 O ATOM 3293 O2P G A 158 128.776 16.546 2.400 0.00 0.00 O ATOM 3294 O5* G A 158 129.476 17.052 0.091 0.00 0.00 O ATOM 3295 C5* G A 158 129.985 16.805 -1.208 0.00 0.00 C ATOM 3296 C4* G A 158 130.343 18.141 -1.871 0.00 0.00 C ATOM 3297 O4* G A 158 129.238 19.044 -1.889 0.00 0.00 O ATOM 3298 C3* G A 158 131.463 18.854 -1.127 0.00 0.00 C ATOM 3299 O3* G A 158 132.743 18.338 -1.427 0.00 0.00 O ATOM 3300 C2* G A 158 131.245 20.295 -1.584 0.00 0.00 C ATOM 3301 O2* G A 158 131.675 20.575 -2.910 0.00 0.00 O ATOM 3302 C1* G A 158 129.717 20.350 -1.573 0.00 0.00 C ATOM 3303 N9 G A 158 129.226 20.810 -0.249 0.00 0.00 N ATOM 3304 C8 G A 158 128.585 20.123 0.749 0.00 0.00 C ATOM 3305 N7 G A 158 128.234 20.864 1.771 0.00 0.00 N ATOM 3306 C5 G A 158 128.727 22.140 1.452 0.00 0.00 C ATOM 3307 C6 G A 158 128.670 23.413 2.137 0.00 0.00 C ATOM 3308 O6 G A 158 128.175 23.703 3.225 0.00 0.00 O ATOM 3309 N1 G A 158 129.237 24.453 1.411 0.00 0.00 N ATOM 3310 C2 G A 158 129.791 24.289 0.169 0.00 0.00 C ATOM 3311 N2 G A 158 130.287 25.336 -0.444 0.00 0.00 N ATOM 3312 N3 G A 158 129.854 23.137 -0.489 0.00 0.00 N ATOM 3313 C4 G A 158 129.314 22.100 0.205 0.00 0.00 C ATOM 3314 P G A 159 133.908 18.406 -0.331 0.00 0.00 P ATOM 3315 O1P G A 159 135.136 17.841 -0.930 0.00 0.00 O ATOM 3316 O2P G A 159 133.369 17.879 0.938 0.00 0.00 O ATOM 3317 O5* G A 159 134.088 19.988 -0.157 0.00 0.00 O ATOM 3318 C5* G A 159 134.805 20.752 -1.101 0.00 0.00 C ATOM 3319 C4* G A 159 134.985 22.171 -0.571 0.00 0.00 C ATOM 3320 O4* G A 159 133.736 22.860 -0.424 0.00 0.00 O ATOM 3321 C3* G A 159 135.678 22.209 0.793 0.00 0.00 C ATOM 3322 O3* G A 159 137.086 22.023 0.741 0.00 0.00 O ATOM 3323 C2* G A 159 135.275 23.634 1.167 0.00 0.00 C ATOM 3324 O2* G A 159 135.971 24.600 0.391 0.00 0.00 O ATOM 3325 C1* G A 159 133.818 23.731 0.707 0.00 0.00 C ATOM 3326 N9 G A 159 132.853 23.326 1.766 0.00 0.00 N ATOM 3327 C8 G A 159 132.355 22.069 2.005 0.00 0.00 C ATOM 3328 N7 G A 159 131.639 21.970 3.090 0.00 0.00 N ATOM 3329 C5 G A 159 131.633 23.265 3.607 0.00 0.00 C ATOM 3330 C6 G A 159 131.098 23.778 4.842 0.00 0.00 C ATOM 3331 O6 G A 159 130.630 23.168 5.803 0.00 0.00 O ATOM 3332 N1 G A 159 131.259 25.138 5.000 0.00 0.00 N ATOM 3333 C2 G A 159 131.995 25.893 4.138 0.00 0.00 C ATOM 3334 N2 G A 159 132.226 27.123 4.531 0.00 0.00 N ATOM 3335 N3 G A 159 132.535 25.459 2.986 0.00 0.00 N ATOM 3336 C4 G A 159 132.331 24.119 2.776 0.00 0.00 C ATOM 3337 P A A 160 137.900 21.332 1.952 0.00 0.00 P ATOM 3338 O1P A A 160 139.346 21.536 1.711 0.00 0.00 O ATOM 3339 O2P A A 160 137.370 19.974 2.177 0.00 0.00 O ATOM 3340 O5* A A 160 137.498 22.221 3.236 0.00 0.00 O ATOM 3341 C5* A A 160 137.737 21.741 4.551 0.00 0.00 C ATOM 3342 C4* A A 160 138.235 22.870 5.459 0.00 0.00 C ATOM 3343 O4* A A 160 139.452 23.394 4.938 0.00 0.00 O ATOM 3344 C3* A A 160 137.228 24.013 5.580 0.00 0.00 C ATOM 3345 O3* A A 160 136.292 23.821 6.643 0.00 0.00 O ATOM 3346 C2* A A 160 138.180 25.195 5.793 0.00 0.00 C ATOM 3347 O2* A A 160 138.559 25.378 7.152 0.00 0.00 O ATOM 3348 C1* A A 160 139.443 24.808 5.031 0.00 0.00 C ATOM 3349 N9 A A 160 139.489 25.461 3.704 0.00 0.00 N ATOM 3350 C8 A A 160 139.186 24.948 2.465 0.00 0.00 C ATOM 3351 N7 A A 160 139.288 25.813 1.491 0.00 0.00 N ATOM 3352 C5 A A 160 139.756 26.963 2.128 0.00 0.00 C ATOM 3353 C6 A A 160 140.139 28.246 1.680 0.00 0.00 C ATOM 3354 N6 A A 160 140.106 28.601 0.407 0.00 0.00 N ATOM 3355 N1 A A 160 140.559 29.182 2.545 0.00 0.00 N ATOM 3356 C2 A A 160 140.614 28.838 3.829 0.00 0.00 C ATOM 3357 N3 A A 160 140.282 27.681 4.396 0.00 0.00 N ATOM 3358 C4 A A 160 139.871 26.764 3.476 0.00 0.00 C ATOM 3359 P A A 161 134.813 24.442 6.593 0.00 0.00 P ATOM 3360 O1P A A 161 134.099 24.143 7.853 0.00 0.00 O ATOM 3361 O2P A A 161 134.157 23.905 5.388 0.00 0.00 O ATOM 3362 O5* A A 161 134.973 26.039 6.466 0.00 0.00 O ATOM 3363 C5* A A 161 135.575 26.800 7.503 0.00 0.00 C ATOM 3364 C4* A A 161 136.042 28.178 7.003 0.00 0.00 C ATOM 3365 O4* A A 161 137.038 28.074 6.000 0.00 0.00 O ATOM 3366 C3* A A 161 134.934 29.054 6.430 0.00 0.00 C ATOM 3367 O3* A A 161 134.261 29.696 7.507 0.00 0.00 O ATOM 3368 C2* A A 161 135.756 29.983 5.521 0.00 0.00 C ATOM 3369 O2* A A 161 136.423 31.005 6.249 0.00 0.00 O ATOM 3370 C1* A A 161 136.825 29.032 4.978 0.00 0.00 C ATOM 3371 N9 A A 161 136.470 28.376 3.684 0.00 0.00 N ATOM 3372 C8 A A 161 135.983 27.110 3.437 0.00 0.00 C ATOM 3373 N7 A A 161 135.939 26.782 2.170 0.00 0.00 N ATOM 3374 C5 A A 161 136.400 27.934 1.522 0.00 0.00 C ATOM 3375 C6 A A 161 136.606 28.310 0.167 0.00 0.00 C ATOM 3376 N6 A A 161 136.390 27.537 -0.887 0.00 0.00 N ATOM 3377 N1 A A 161 137.061 29.530 -0.149 0.00 0.00 N ATOM 3378 C2 A A 161 137.317 30.366 0.852 0.00 0.00 C ATOM 3379 N3 A A 161 137.187 30.156 2.160 0.00 0.00 N ATOM 3380 C4 A A 161 136.710 28.909 2.436 0.00 0.00 C ATOM 3381 P A A 162 132.691 29.957 7.512 0.00 0.00 P ATOM 3382 O1P A A 162 132.348 30.397 8.885 0.00 0.00 O ATOM 3383 O2P A A 162 132.058 28.711 6.998 0.00 0.00 O ATOM 3384 O5* A A 162 132.452 31.176 6.498 0.00 0.00 O ATOM 3385 C5* A A 162 133.008 32.467 6.711 0.00 0.00 C ATOM 3386 C4* A A 162 133.116 33.257 5.399 0.00 0.00 C ATOM 3387 O4* A A 162 134.112 32.712 4.538 0.00 0.00 O ATOM 3388 C3* A A 162 131.817 33.335 4.597 0.00 0.00 C ATOM 3389 O3* A A 162 130.928 34.305 5.143 0.00 0.00 O ATOM 3390 C2* A A 162 132.417 33.693 3.221 0.00 0.00 C ATOM 3391 O2* A A 162 132.814 35.060 3.157 0.00 0.00 O ATOM 3392 C1* A A 162 133.651 32.779 3.191 0.00 0.00 C ATOM 3393 N9 A A 162 133.359 31.395 2.718 0.00 0.00 N ATOM 3394 C8 A A 162 133.064 30.280 3.464 0.00 0.00 C ATOM 3395 N7 A A 162 133.016 29.165 2.791 0.00 0.00 N ATOM 3396 C5 A A 162 133.230 29.574 1.479 0.00 0.00 C ATOM 3397 C6 A A 162 133.251 28.904 0.232 0.00 0.00 C ATOM 3398 N6 A A 162 133.082 27.602 0.056 0.00 0.00 N ATOM 3399 N1 A A 162 133.459 29.589 -0.893 0.00 0.00 N ATOM 3400 C2 A A 162 133.650 30.900 -0.804 0.00 0.00 C ATOM 3401 N3 A A 162 133.649 31.660 0.292 0.00 0.00 N ATOM 3402 C4 A A 162 133.434 30.930 1.421 0.00 0.00 C ATOM 3403 P C A 163 129.343 34.088 5.214 0.00 0.00 P ATOM 3404 O1P C A 163 128.669 35.392 5.200 0.00 0.00 O ATOM 3405 O2P C A 163 128.970 33.183 6.327 0.00 0.00 O ATOM 3406 O5* C A 163 128.894 33.302 3.898 0.00 0.00 O ATOM 3407 C5* C A 163 129.053 33.876 2.617 0.00 0.00 C ATOM 3408 C4* C A 163 129.356 32.789 1.576 0.00 0.00 C ATOM 3409 O4* C A 163 130.247 31.782 2.059 0.00 0.00 O ATOM 3410 C3* C A 163 128.132 32.045 1.082 0.00 0.00 C ATOM 3411 O3* C A 163 127.373 32.852 0.196 0.00 0.00 O ATOM 3412 C2* C A 163 128.842 30.841 0.451 0.00 0.00 C ATOM 3413 O2* C A 163 129.543 31.168 -0.744 0.00 0.00 O ATOM 3414 C1* C A 163 129.939 30.524 1.462 0.00 0.00 C ATOM 3415 N1 C A 163 129.556 29.498 2.484 0.00 0.00 N ATOM 3416 C2 C A 163 129.434 28.145 2.105 0.00 0.00 C ATOM 3417 O2 C A 163 129.661 27.765 0.952 0.00 0.00 O ATOM 3418 N3 C A 163 129.063 27.213 3.028 0.00 0.00 N ATOM 3419 C4 C A 163 128.873 27.587 4.288 0.00 0.00 C ATOM 3420 N4 C A 163 128.492 26.659 5.138 0.00 0.00 N ATOM 3421 C5 C A 163 129.069 28.925 4.741 0.00 0.00 C ATOM 3422 C6 C A 163 129.414 29.845 3.809 0.00 0.00 C ATOM 3423 P G A 164 125.868 32.466 -0.201 0.00 0.00 P ATOM 3424 O1P G A 164 125.340 33.506 -1.109 0.00 0.00 O ATOM 3425 O2P G A 164 125.150 32.139 1.053 0.00 0.00 O ATOM 3426 O5* G A 164 126.068 31.110 -1.036 0.00 0.00 O ATOM 3427 C5* G A 164 126.717 31.091 -2.297 0.00 0.00 C ATOM 3428 C4* G A 164 126.985 29.643 -2.728 0.00 0.00 C ATOM 3429 O4* G A 164 127.732 28.910 -1.765 0.00 0.00 O ATOM 3430 C3* G A 164 125.689 28.883 -2.968 0.00 0.00 C ATOM 3431 O3* G A 164 125.176 29.236 -4.239 0.00 0.00 O ATOM 3432 C2* G A 164 126.174 27.439 -2.799 0.00 0.00 C ATOM 3433 O2* G A 164 126.896 26.920 -3.905 0.00 0.00 O ATOM 3434 C1* G A 164 127.177 27.605 -1.655 0.00 0.00 C ATOM 3435 N9 G A 164 126.517 27.380 -0.347 0.00 0.00 N ATOM 3436 C8 G A 164 126.048 28.268 0.593 0.00 0.00 C ATOM 3437 N7 G A 164 125.479 27.705 1.629 0.00 0.00 N ATOM 3438 C5 G A 164 125.614 26.339 1.371 0.00 0.00 C ATOM 3439 C6 G A 164 125.161 25.195 2.108 0.00 0.00 C ATOM 3440 O6 G A 164 124.473 25.193 3.130 0.00 0.00 O ATOM 3441 N1 G A 164 125.486 23.985 1.508 0.00 0.00 N ATOM 3442 C2 G A 164 126.029 23.912 0.249 0.00 0.00 C ATOM 3443 N2 G A 164 126.286 22.748 -0.296 0.00 0.00 N ATOM 3444 N3 G A 164 126.404 24.952 -0.486 0.00 0.00 N ATOM 3445 C4 G A 164 126.201 26.141 0.145 0.00 0.00 C ATOM 3446 P G A 165 123.634 29.074 -4.624 0.00 0.00 P ATOM 3447 O1P G A 165 123.465 29.846 -5.888 0.00 0.00 O ATOM 3448 O2P G A 165 122.808 29.429 -3.444 0.00 0.00 O ATOM 3449 O5* G A 165 123.509 27.477 -4.861 0.00 0.00 O ATOM 3450 C5* G A 165 124.106 26.805 -5.963 0.00 0.00 C ATOM 3451 C4* G A 165 123.867 25.290 -5.888 0.00 0.00 C ATOM 3452 O4* G A 165 124.567 24.709 -4.791 0.00 0.00 O ATOM 3453 C3* G A 165 122.399 24.904 -5.710 0.00 0.00 C ATOM 3454 O3* G A 165 121.627 25.047 -6.892 0.00 0.00 O ATOM 3455 C2* G A 165 122.569 23.465 -5.212 0.00 0.00 C ATOM 3456 O2* G A 165 122.919 22.526 -6.217 0.00 0.00 O ATOM 3457 C1* G A 165 123.788 23.622 -4.304 0.00 0.00 C ATOM 3458 N9 G A 165 123.368 23.851 -2.904 0.00 0.00 N ATOM 3459 C8 G A 165 123.238 25.008 -2.179 0.00 0.00 C ATOM 3460 N7 G A 165 122.861 24.826 -0.937 0.00 0.00 N ATOM 3461 C5 G A 165 122.667 23.440 -0.852 0.00 0.00 C ATOM 3462 C6 G A 165 122.200 22.587 0.211 0.00 0.00 C ATOM 3463 O6 G A 165 121.923 22.868 1.378 0.00 0.00 O ATOM 3464 N1 G A 165 122.049 21.261 -0.184 0.00 0.00 N ATOM 3465 C2 G A 165 122.385 20.796 -1.428 0.00 0.00 C ATOM 3466 N2 G A 165 122.225 19.530 -1.718 0.00 0.00 N ATOM 3467 N3 G A 165 122.868 21.545 -2.406 0.00 0.00 N ATOM 3468 C4 G A 165 122.967 22.856 -2.063 0.00 0.00 C ATOM 3469 P U A 166 120.027 25.085 -6.832 0.00 0.00 P ATOM 3470 O1P U A 166 119.455 25.311 -8.180 0.00 0.00 O ATOM 3471 O2P U A 166 119.559 25.983 -5.761 0.00 0.00 O ATOM 3472 O5* U A 166 119.583 23.618 -6.400 0.00 0.00 O ATOM 3473 C5* U A 166 119.706 22.528 -7.289 0.00 0.00 C ATOM 3474 C4* U A 166 119.342 21.229 -6.568 0.00 0.00 C ATOM 3475 O4* U A 166 120.158 21.028 -5.415 0.00 0.00 O ATOM 3476 C3* U A 166 117.892 21.201 -6.092 0.00 0.00 C ATOM 3477 O3* U A 166 116.976 20.921 -7.147 0.00 0.00 O ATOM 3478 C2* U A 166 118.001 20.095 -5.039 0.00 0.00 C ATOM 3479 O2* U A 166 118.050 18.799 -5.621 0.00 0.00 O ATOM 3480 C1* U A 166 119.373 20.384 -4.411 0.00 0.00 C ATOM 3481 N1 U A 166 119.257 21.189 -3.154 0.00 0.00 N ATOM 3482 C2 U A 166 118.923 20.508 -1.976 0.00 0.00 C ATOM 3483 O2 U A 166 118.675 19.304 -1.945 0.00 0.00 O ATOM 3484 N3 U A 166 118.864 21.255 -0.814 0.00 0.00 N ATOM 3485 C4 U A 166 119.074 22.610 -0.708 0.00 0.00 C ATOM 3486 O4 U A 166 118.964 23.163 0.383 0.00 0.00 O ATOM 3487 C5 U A 166 119.426 23.249 -1.960 0.00 0.00 C ATOM 3488 C6 U A 166 119.486 22.549 -3.125 0.00 0.00 C ATOM 3489 P A A 167 115.456 21.422 -7.087 0.00 0.00 P ATOM 3490 O1P A A 167 114.791 20.941 -8.332 0.00 0.00 O ATOM 3491 O2P A A 167 115.489 22.879 -6.836 0.00 0.00 O ATOM 3492 O5* A A 167 114.854 20.631 -5.799 0.00 0.00 O ATOM 3493 C5* A A 167 114.615 19.223 -5.814 0.00 0.00 C ATOM 3494 C4* A A 167 114.105 18.648 -4.480 0.00 0.00 C ATOM 3495 O4* A A 167 115.074 18.721 -3.437 0.00 0.00 O ATOM 3496 C3* A A 167 112.839 19.313 -3.943 0.00 0.00 C ATOM 3497 O3* A A 167 111.658 18.957 -4.665 0.00 0.00 O ATOM 3498 C2* A A 167 112.890 18.798 -2.497 0.00 0.00 C ATOM 3499 O2* A A 167 112.484 17.442 -2.366 0.00 0.00 O ATOM 3500 C1* A A 167 114.391 18.839 -2.189 0.00 0.00 C ATOM 3501 N9 A A 167 114.780 20.106 -1.529 0.00 0.00 N ATOM 3502 C8 A A 167 115.439 21.177 -2.078 0.00 0.00 C ATOM 3503 N7 A A 167 115.663 22.155 -1.248 0.00 0.00 N ATOM 3504 C5 A A 167 115.087 21.701 -0.058 0.00 0.00 C ATOM 3505 C6 A A 167 114.940 22.253 1.233 0.00 0.00 C ATOM 3506 N6 A A 167 115.385 23.455 1.559 0.00 0.00 N ATOM 3507 N1 A A 167 114.343 21.553 2.213 0.00 0.00 N ATOM 3508 C2 A A 167 113.880 20.343 1.911 0.00 0.00 C ATOM 3509 N3 A A 167 113.931 19.704 0.744 0.00 0.00 N ATOM 3510 C4 A A 167 114.557 20.448 -0.213 0.00 0.00 C ATOM 3511 P G A 168 110.321 19.855 -4.577 0.00 0.00 P ATOM 3512 O1P G A 168 109.214 19.261 -5.368 0.00 0.00 O ATOM 3513 O2P G A 168 110.663 21.269 -4.807 0.00 0.00 O ATOM 3514 O5* G A 168 109.823 19.722 -3.059 0.00 0.00 O ATOM 3515 C5* G A 168 109.302 18.499 -2.558 0.00 0.00 C ATOM 3516 C4* G A 168 108.995 18.631 -1.067 0.00 0.00 C ATOM 3517 O4* G A 168 110.183 18.889 -0.332 0.00 0.00 O ATOM 3518 C3* G A 168 108.033 19.773 -0.747 0.00 0.00 C ATOM 3519 O3* G A 168 106.669 19.471 -1.031 0.00 0.00 O ATOM 3520 C2* G A 168 108.334 19.949 0.739 0.00 0.00 C ATOM 3521 O2* G A 168 107.700 18.968 1.546 0.00 0.00 O ATOM 3522 C1* G A 168 109.844 19.696 0.787 0.00 0.00 C ATOM 3523 N9 G A 168 110.584 20.976 0.781 0.00 0.00 N ATOM 3524 C8 G A 168 111.235 21.624 -0.239 0.00 0.00 C ATOM 3525 N7 G A 168 111.805 22.739 0.126 0.00 0.00 N ATOM 3526 C5 G A 168 111.494 22.856 1.483 0.00 0.00 C ATOM 3527 C6 G A 168 111.797 23.870 2.455 0.00 0.00 C ATOM 3528 O6 G A 168 112.419 24.919 2.320 0.00 0.00 O ATOM 3529 N1 G A 168 111.261 23.612 3.708 0.00 0.00 N ATOM 3530 C2 G A 168 110.481 22.525 3.980 0.00 0.00 C ATOM 3531 N2 G A 168 109.922 22.442 5.166 0.00 0.00 N ATOM 3532 N3 G A 168 110.183 21.563 3.110 0.00 0.00 N ATOM 3533 C4 G A 168 110.728 21.784 1.879 0.00 0.00 C ATOM 3534 P C A 169 105.607 20.650 -1.256 0.00 0.00 P ATOM 3535 O1P C A 169 104.330 19.925 -1.458 0.00 0.00 O ATOM 3536 O2P C A 169 106.169 21.496 -2.336 0.00 0.00 O ATOM 3537 O5* C A 169 105.555 21.395 0.186 0.00 0.00 O ATOM 3538 C5* C A 169 104.917 20.778 1.309 0.00 0.00 C ATOM 3539 C4* C A 169 104.945 21.603 2.605 0.00 0.00 C ATOM 3540 O4* C A 169 106.258 21.932 3.040 0.00 0.00 O ATOM 3541 C3* C A 169 104.198 22.926 2.505 0.00 0.00 C ATOM 3542 O3* C A 169 102.782 22.771 2.524 0.00 0.00 O ATOM 3543 C2* C A 169 104.738 23.621 3.759 0.00 0.00 C ATOM 3544 O2* C A 169 104.022 23.292 4.944 0.00 0.00 O ATOM 3545 C1* C A 169 106.147 23.042 3.926 0.00 0.00 C ATOM 3546 N1 C A 169 107.182 24.089 3.707 0.00 0.00 N ATOM 3547 C2 C A 169 107.471 24.969 4.761 0.00 0.00 C ATOM 3548 O2 C A 169 106.880 24.864 5.838 0.00 0.00 O ATOM 3549 N3 C A 169 108.403 25.945 4.597 0.00 0.00 N ATOM 3550 C4 C A 169 109.055 26.018 3.440 0.00 0.00 C ATOM 3551 N4 C A 169 110.035 26.881 3.357 0.00 0.00 N ATOM 3552 C5 C A 169 108.771 25.166 2.331 0.00 0.00 C ATOM 3553 C6 C A 169 107.824 24.215 2.502 0.00 0.00 C ATOM 3554 P U A 170 101.819 23.865 1.858 0.00 0.00 P ATOM 3555 O1P U A 170 100.444 23.457 2.265 0.00 0.00 O ATOM 3556 O2P U A 170 102.168 23.997 0.436 0.00 0.00 O ATOM 3557 O5* U A 170 102.224 25.208 2.664 0.00 0.00 O ATOM 3558 C5* U A 170 101.758 25.454 3.982 0.00 0.00 C ATOM 3559 C4* U A 170 102.327 26.726 4.613 0.00 0.00 C ATOM 3560 O4* U A 170 103.739 26.712 4.776 0.00 0.00 O ATOM 3561 C3* U A 170 101.993 27.980 3.829 0.00 0.00 C ATOM 3562 O3* U A 170 100.617 28.284 3.947 0.00 0.00 O ATOM 3563 C2* U A 170 102.967 28.951 4.503 0.00 0.00 C ATOM 3564 O2* U A 170 102.584 29.320 5.823 0.00 0.00 O ATOM 3565 C1* U A 170 104.201 28.062 4.678 0.00 0.00 C ATOM 3566 N1 U A 170 105.194 28.222 3.582 0.00 0.00 N ATOM 3567 C2 U A 170 106.224 29.153 3.770 0.00 0.00 C ATOM 3568 O2 U A 170 106.231 29.991 4.676 0.00 0.00 O ATOM 3569 N3 U A 170 107.284 29.086 2.886 0.00 0.00 N ATOM 3570 C4 U A 170 107.366 28.255 1.787 0.00 0.00 C ATOM 3571 O4 U A 170 108.343 28.311 1.052 0.00 0.00 O ATOM 3572 C5 U A 170 106.219 27.389 1.601 0.00 0.00 C ATOM 3573 C6 U A 170 105.183 27.396 2.477 0.00 0.00 C ATOM 3574 P A A 171 99.956 29.447 3.079 0.00 0.00 P ATOM 3575 O1P A A 171 98.490 29.232 3.130 0.00 0.00 O ATOM 3576 O2P A A 171 100.652 29.518 1.783 0.00 0.00 O ATOM 3577 O5* A A 171 100.308 30.742 3.936 0.00 0.00 O ATOM 3578 C5* A A 171 99.702 30.940 5.196 0.00 0.00 C ATOM 3579 C4* A A 171 100.076 32.306 5.743 0.00 0.00 C ATOM 3580 O4* A A 171 101.466 32.368 6.046 0.00 0.00 O ATOM 3581 C3* A A 171 99.773 33.457 4.775 0.00 0.00 C ATOM 3582 O3* A A 171 98.382 33.766 4.657 0.00 0.00 O ATOM 3583 C2* A A 171 100.616 34.513 5.494 0.00 0.00 C ATOM 3584 O2* A A 171 99.941 34.951 6.666 0.00 0.00 O ATOM 3585 C1* A A 171 101.870 33.724 5.914 0.00 0.00 C ATOM 3586 N9 A A 171 102.973 33.799 4.924 0.00 0.00 N ATOM 3587 C8 A A 171 103.151 33.050 3.783 0.00 0.00 C ATOM 3588 N7 A A 171 104.293 33.243 3.185 0.00 0.00 N ATOM 3589 C5 A A 171 104.923 34.187 3.992 0.00 0.00 C ATOM 3590 C6 A A 171 106.187 34.811 3.956 0.00 0.00 C ATOM 3591 N6 A A 171 107.084 34.630 2.998 0.00 0.00 N ATOM 3592 N1 A A 171 106.518 35.720 4.878 0.00 0.00 N ATOM 3593 C2 A A 171 105.623 36.015 5.814 0.00 0.00 C ATOM 3594 N3 A A 171 104.403 35.496 5.994 0.00 0.00 N ATOM 3595 C4 A A 171 104.114 34.565 5.034 0.00 0.00 C ATOM 3596 P A A 172 97.824 34.768 3.524 0.00 0.00 P ATOM 3597 O1P A A 172 96.376 35.017 3.727 0.00 0.00 O ATOM 3598 O2P A A 172 98.188 34.302 2.174 0.00 0.00 O ATOM 3599 O5* A A 172 98.578 36.150 3.778 0.00 0.00 O ATOM 3600 C5* A A 172 98.215 36.995 4.850 0.00 0.00 C ATOM 3601 C4* A A 172 99.156 38.196 4.921 0.00 0.00 C ATOM 3602 O4* A A 172 100.491 37.809 5.224 0.00 0.00 O ATOM 3603 C3* A A 172 99.214 38.968 3.610 0.00 0.00 C ATOM 3604 O3* A A 172 98.039 39.733 3.395 0.00 0.00 O ATOM 3605 C2* A A 172 100.517 39.738 3.838 0.00 0.00 C ATOM 3606 O2* A A 172 100.385 40.819 4.759 0.00 0.00 O ATOM 3607 C1* A A 172 101.381 38.669 4.523 0.00 0.00 C ATOM 3608 N9 A A 172 102.217 37.874 3.584 0.00 0.00 N ATOM 3609 C8 A A 172 101.876 36.806 2.788 0.00 0.00 C ATOM 3610 N7 A A 172 102.866 36.312 2.092 0.00 0.00 N ATOM 3611 C5 A A 172 103.942 37.141 2.423 0.00 0.00 C ATOM 3612 C6 A A 172 105.291 37.252 2.001 0.00 0.00 C ATOM 3613 N6 A A 172 105.866 36.540 1.045 0.00 0.00 N ATOM 3614 N1 A A 172 106.119 38.136 2.567 0.00 0.00 N ATOM 3615 C2 A A 172 105.614 38.935 3.506 0.00 0.00 C ATOM 3616 N3 A A 172 104.361 38.991 3.956 0.00 0.00 N ATOM 3617 C4 A A 172 103.563 38.060 3.365 0.00 0.00 C ATOM 3618 P U A 173 97.834 40.568 2.046 0.00 0.00 P ATOM 3619 O1P U A 173 96.390 40.876 1.924 0.00 0.00 O ATOM 3620 O2P U A 173 98.466 39.830 0.933 0.00 0.00 O ATOM 3621 O5* U A 173 98.630 41.940 2.332 0.00 0.00 O ATOM 3622 C5* U A 173 98.268 43.155 1.693 0.00 0.00 C ATOM 3623 C4* U A 173 99.351 44.248 1.765 0.00 0.00 C ATOM 3624 O4* U A 173 99.122 45.194 2.807 0.00 0.00 O ATOM 3625 C3* U A 173 100.781 43.708 1.984 0.00 0.00 C ATOM 3626 O3* U A 173 101.684 44.435 1.168 0.00 0.00 O ATOM 3627 C2* U A 173 100.982 44.059 3.463 0.00 0.00 C ATOM 3628 O2* U A 173 102.318 43.998 3.933 0.00 0.00 O ATOM 3629 C1* U A 173 100.369 45.452 3.441 0.00 0.00 C ATOM 3630 N1 U A 173 100.197 46.071 4.781 0.00 0.00 N ATOM 3631 C2 U A 173 101.128 47.015 5.232 0.00 0.00 C ATOM 3632 O2 U A 173 102.224 47.169 4.698 0.00 0.00 O ATOM 3633 N3 U A 173 100.768 47.775 6.336 0.00 0.00 N ATOM 3634 C4 U A 173 99.575 47.646 7.022 0.00 0.00 C ATOM 3635 O4 U A 173 99.265 48.454 7.889 0.00 0.00 O ATOM 3636 C5 U A 173 98.741 46.546 6.590 0.00 0.00 C ATOM 3637 C6 U A 173 99.070 45.799 5.506 0.00 0.00 C ATOM 3638 P A A 174 101.824 44.107 -0.392 0.00 0.00 P ATOM 3639 O1P A A 174 102.297 45.342 -1.053 0.00 0.00 O ATOM 3640 O2P A A 174 100.553 43.525 -0.859 0.00 0.00 O ATOM 3641 O5* A A 174 102.963 42.992 -0.472 0.00 0.00 O ATOM 3642 C5* A A 174 104.321 43.313 -0.219 0.00 0.00 C ATOM 3643 C4* A A 174 105.269 42.223 -0.735 0.00 0.00 C ATOM 3644 O4* A A 174 105.246 41.091 0.107 0.00 0.00 O ATOM 3645 C3* A A 174 104.932 41.745 -2.139 0.00 0.00 C ATOM 3646 O3* A A 174 105.653 42.494 -3.084 0.00 0.00 O ATOM 3647 C2* A A 174 105.304 40.263 -2.128 0.00 0.00 C ATOM 3648 O2* A A 174 106.656 39.966 -2.444 0.00 0.00 O ATOM 3649 C1* A A 174 105.087 39.931 -0.656 0.00 0.00 C ATOM 3650 N9 A A 174 103.721 39.484 -0.390 0.00 0.00 N ATOM 3651 C8 A A 174 102.718 40.068 0.348 0.00 0.00 C ATOM 3652 N7 A A 174 101.652 39.332 0.461 0.00 0.00 N ATOM 3653 C5 A A 174 101.997 38.183 -0.243 0.00 0.00 C ATOM 3654 C6 A A 174 101.351 36.969 -0.500 0.00 0.00 C ATOM 3655 N6 A A 174 100.097 36.728 -0.177 0.00 0.00 N ATOM 3656 N1 A A 174 101.997 36.010 -1.165 0.00 0.00 N ATOM 3657 C2 A A 174 103.226 36.240 -1.600 0.00 0.00 C ATOM 3658 N3 A A 174 103.931 37.347 -1.497 0.00 0.00 N ATOM 3659 C4 A A 174 103.252 38.273 -0.770 0.00 0.00 C ATOM 3660 P C A 175 104.968 42.924 -4.432 0.00 0.00 P ATOM 3661 O1P C A 175 105.894 43.706 -5.272 0.00 0.00 O ATOM 3662 O2P C A 175 103.620 43.477 -4.198 0.00 0.00 O ATOM 3663 O5* C A 175 104.700 41.575 -5.248 0.00 0.00 O ATOM 3664 C5* C A 175 105.679 41.029 -6.104 0.00 0.00 C ATOM 3665 C4* C A 175 105.104 39.895 -6.955 0.00 0.00 C ATOM 3666 O4* C A 175 104.764 38.754 -6.160 0.00 0.00 O ATOM 3667 C3* C A 175 103.826 40.235 -7.735 0.00 0.00 C ATOM 3668 O3* C A 175 103.936 41.034 -8.911 0.00 0.00 O ATOM 3669 C2* C A 175 103.378 38.811 -8.049 0.00 0.00 C ATOM 3670 O2* C A 175 104.219 38.167 -9.010 0.00 0.00 O ATOM 3671 C1* C A 175 103.581 38.145 -6.688 0.00 0.00 C ATOM 3672 N1 C A 175 102.388 38.312 -5.789 0.00 0.00 N ATOM 3673 C2 C A 175 101.271 37.476 -5.977 0.00 0.00 C ATOM 3674 O2 C A 175 101.222 36.671 -6.911 0.00 0.00 O ATOM 3675 N3 C A 175 100.235 37.517 -5.095 0.00 0.00 N ATOM 3676 C4 C A 175 100.278 38.363 -4.071 0.00 0.00 C ATOM 3677 N4 C A 175 99.277 38.341 -3.225 0.00 0.00 N ATOM 3678 C5 C A 175 101.369 39.250 -3.856 0.00 0.00 C ATOM 3679 C6 C A 175 102.397 39.201 -4.737 0.00 0.00 C ATOM 3680 P C A 176 102.611 41.748 -9.506 0.00 0.00 P ATOM 3681 O1P C A 176 103.017 42.640 -10.611 0.00 0.00 O ATOM 3682 O2P C A 176 101.937 42.339 -8.332 0.00 0.00 O ATOM 3683 O5* C A 176 101.717 40.545 -10.129 0.00 0.00 O ATOM 3684 C5* C A 176 102.112 39.760 -11.253 0.00 0.00 C ATOM 3685 C4* C A 176 101.197 38.557 -11.523 0.00 0.00 C ATOM 3686 O4* C A 176 100.957 37.761 -10.364 0.00 0.00 O ATOM 3687 C3* C A 176 99.849 38.978 -12.100 0.00 0.00 C ATOM 3688 O3* C A 176 99.917 39.286 -13.498 0.00 0.00 O ATOM 3689 C2* C A 176 99.025 37.738 -11.722 0.00 0.00 C ATOM 3690 O2* C A 176 99.293 36.615 -12.547 0.00 0.00 O ATOM 3691 C1* C A 176 99.575 37.386 -10.339 0.00 0.00 C ATOM 3692 N1 C A 176 98.822 38.044 -9.221 0.00 0.00 N ATOM 3693 C2 C A 176 97.551 37.555 -8.854 0.00 0.00 C ATOM 3694 O2 C A 176 96.977 36.675 -9.503 0.00 0.00 O ATOM 3695 N3 C A 176 96.933 38.031 -7.737 0.00 0.00 N ATOM 3696 C4 C A 176 97.533 38.981 -7.023 0.00 0.00 C ATOM 3697 N4 C A 176 96.927 39.428 -5.949 0.00 0.00 N ATOM 3698 C5 C A 176 98.806 39.519 -7.360 0.00 0.00 C ATOM 3699 C6 C A 176 99.410 39.034 -8.467 0.00 0.00 C ATOM 3700 P G A 177 98.736 40.132 -14.199 0.00 0.00 P ATOM 3701 O1P G A 177 99.081 40.570 -15.571 0.00 0.00 O ATOM 3702 O2P G A 177 98.274 41.130 -13.225 0.00 0.00 O ATOM 3703 O5* G A 177 97.572 39.059 -14.350 0.00 0.00 O ATOM 3704 C5* G A 177 97.585 38.034 -15.329 0.00 0.00 C ATOM 3705 C4* G A 177 96.314 37.209 -15.131 0.00 0.00 C ATOM 3706 O4* G A 177 96.335 36.734 -13.791 0.00 0.00 O ATOM 3707 C3* G A 177 95.049 38.054 -15.303 0.00 0.00 C ATOM 3708 O3* G A 177 94.506 38.100 -16.611 0.00 0.00 O ATOM 3709 C2* G A 177 94.092 37.387 -14.344 0.00 0.00 C ATOM 3710 O2* G A 177 93.443 36.255 -14.876 0.00 0.00 O ATOM 3711 C1* G A 177 95.049 36.937 -13.244 0.00 0.00 C ATOM 3712 N9 G A 177 94.987 37.930 -12.150 0.00 0.00 N ATOM 3713 C8 G A 177 95.777 38.981 -11.743 0.00 0.00 C ATOM 3714 N7 G A 177 95.366 39.550 -10.639 0.00 0.00 N ATOM 3715 C5 G A 177 94.129 38.950 -10.403 0.00 0.00 C ATOM 3716 C6 G A 177 93.082 39.191 -9.452 0.00 0.00 C ATOM 3717 O6 G A 177 93.070 39.819 -8.401 0.00 0.00 O ATOM 3718 N1 G A 177 91.880 38.629 -9.838 0.00 0.00 N ATOM 3719 C2 G A 177 91.751 37.722 -10.848 0.00 0.00 C ATOM 3720 N2 G A 177 90.567 37.239 -11.127 0.00 0.00 N ATOM 3721 N3 G A 177 92.735 37.325 -11.619 0.00 0.00 N ATOM 3722 C4 G A 177 93.878 38.020 -11.380 0.00 0.00 C ATOM 3723 P C A 178 93.454 39.247 -16.981 0.00 0.00 P ATOM 3724 O1P C A 178 93.152 39.156 -18.421 0.00 0.00 O ATOM 3725 O2P C A 178 94.045 40.476 -16.429 0.00 0.00 O ATOM 3726 O5* C A 178 92.114 39.010 -16.124 0.00 0.00 O ATOM 3727 C5* C A 178 91.071 38.151 -16.538 0.00 0.00 C ATOM 3728 C4* C A 178 89.864 38.332 -15.602 0.00 0.00 C ATOM 3729 O4* C A 178 90.230 38.215 -14.221 0.00 0.00 O ATOM 3730 C3* C A 178 89.203 39.707 -15.700 0.00 0.00 C ATOM 3731 O3* C A 178 88.375 39.918 -16.828 0.00 0.00 O ATOM 3732 C2* C A 178 88.394 39.698 -14.402 0.00 0.00 C ATOM 3733 O2* C A 178 87.229 38.884 -14.449 0.00 0.00 O ATOM 3734 C1* C A 178 89.328 38.996 -13.433 0.00 0.00 C ATOM 3735 N1 C A 178 89.995 39.981 -12.530 0.00 0.00 N ATOM 3736 C2 C A 178 89.351 40.349 -11.335 0.00 0.00 C ATOM 3737 O2 C A 178 88.217 39.954 -11.054 0.00 0.00 O ATOM 3738 N3 C A 178 89.991 41.134 -10.431 0.00 0.00 N ATOM 3739 C4 C A 178 91.203 41.607 -10.718 0.00 0.00 C ATOM 3740 N4 C A 178 91.782 42.348 -9.806 0.00 0.00 N ATOM 3741 C5 C A 178 91.892 41.263 -11.919 0.00 0.00 C ATOM 3742 C6 C A 178 91.252 40.460 -12.804 0.00 0.00 C ATOM 3743 P A A 179 87.956 41.412 -17.253 0.00 0.00 P ATOM 3744 O1P A A 179 87.025 41.313 -18.397 0.00 0.00 O ATOM 3745 O2P A A 179 89.196 42.202 -17.364 0.00 0.00 O ATOM 3746 O5* A A 179 87.139 41.978 -15.981 0.00 0.00 O ATOM 3747 C5* A A 179 85.817 41.557 -15.705 0.00 0.00 C ATOM 3748 C4* A A 179 85.321 42.129 -14.367 0.00 0.00 C ATOM 3749 O4* A A 179 86.226 41.923 -13.283 0.00 0.00 O ATOM 3750 C3* A A 179 85.087 43.629 -14.424 0.00 0.00 C ATOM 3751 O3* A A 179 83.892 43.925 -15.127 0.00 0.00 O ATOM 3752 C2* A A 179 85.037 43.951 -12.924 0.00 0.00 C ATOM 3753 O2* A A 179 83.790 43.648 -12.319 0.00 0.00 O ATOM 3754 C1* A A 179 86.036 42.962 -12.323 0.00 0.00 C ATOM 3755 N9 A A 179 87.311 43.622 -11.944 0.00 0.00 N ATOM 3756 C8 A A 179 88.553 43.481 -12.509 0.00 0.00 C ATOM 3757 N7 A A 179 89.502 44.119 -11.880 0.00 0.00 N ATOM 3758 C5 A A 179 88.835 44.769 -10.838 0.00 0.00 C ATOM 3759 C6 A A 179 89.231 45.637 -9.786 0.00 0.00 C ATOM 3760 N6 A A 179 90.478 45.990 -9.520 0.00 0.00 N ATOM 3761 N1 A A 179 88.311 46.173 -8.969 0.00 0.00 N ATOM 3762 C2 A A 179 87.046 45.802 -9.132 0.00 0.00 C ATOM 3763 N3 A A 179 86.539 44.968 -10.039 0.00 0.00 N ATOM 3764 C4 A A 179 87.495 44.488 -10.884 0.00 0.00 C ATOM 3765 P U A 180 83.653 45.358 -15.803 0.00 0.00 P ATOM 3766 O1P U A 180 82.350 45.322 -16.496 0.00 0.00 O ATOM 3767 O2P U A 180 84.883 45.730 -16.531 0.00 0.00 O ATOM 3768 O5* U A 180 83.537 46.327 -14.532 0.00 0.00 O ATOM 3769 C5* U A 180 82.365 46.431 -13.750 0.00 0.00 C ATOM 3770 C4* U A 180 82.627 47.374 -12.567 0.00 0.00 C ATOM 3771 O4* U A 180 83.678 46.890 -11.731 0.00 0.00 O ATOM 3772 C3* U A 180 83.064 48.761 -13.018 0.00 0.00 C ATOM 3773 O3* U A 180 82.003 49.593 -13.438 0.00 0.00 O ATOM 3774 C2* U A 180 83.769 49.279 -11.763 0.00 0.00 C ATOM 3775 O2* U A 180 82.888 49.734 -10.742 0.00 0.00 O ATOM 3776 C1* U A 180 84.448 48.003 -11.270 0.00 0.00 C ATOM 3777 N1 U A 180 85.862 47.965 -11.735 0.00 0.00 N ATOM 3778 C2 U A 180 86.816 48.594 -10.931 0.00 0.00 C ATOM 3779 O2 U A 180 86.538 49.264 -9.935 0.00 0.00 O ATOM 3780 N3 U A 180 88.131 48.443 -11.310 0.00 0.00 N ATOM 3781 C4 U A 180 88.593 47.762 -12.412 0.00 0.00 C ATOM 3782 O4 U A 180 89.797 47.686 -12.609 0.00 0.00 O ATOM 3783 C5 U A 180 87.546 47.224 -13.251 0.00 0.00 C ATOM 3784 C6 U A 180 86.237 47.355 -12.914 0.00 0.00 C ATOM 3785 P A A 181 82.270 50.678 -14.579 0.00 0.00 P ATOM 3786 O1P A A 181 81.171 51.667 -14.579 0.00 0.00 O ATOM 3787 O2P A A 181 82.641 49.971 -15.820 0.00 0.00 O ATOM 3788 O5* A A 181 83.606 51.373 -14.006 0.00 0.00 O ATOM 3789 C5* A A 181 83.595 52.553 -13.219 0.00 0.00 C ATOM 3790 C4* A A 181 84.663 53.499 -13.781 0.00 0.00 C ATOM 3791 O4* A A 181 85.938 52.905 -13.548 0.00 0.00 O ATOM 3792 C3* A A 181 84.466 53.693 -15.302 0.00 0.00 C ATOM 3793 O3* A A 181 83.827 54.900 -15.747 0.00 0.00 O ATOM 3794 C2* A A 181 85.813 53.210 -15.879 0.00 0.00 C ATOM 3795 O2* A A 181 86.357 53.970 -16.944 0.00 0.00 O ATOM 3796 C1* A A 181 86.769 53.105 -14.675 0.00 0.00 C ATOM 3797 N9 A A 181 87.769 51.989 -14.770 0.00 0.00 N ATOM 3798 C8 A A 181 87.669 50.791 -15.445 0.00 0.00 C ATOM 3799 N7 A A 181 88.724 50.025 -15.372 0.00 0.00 N ATOM 3800 C5 A A 181 89.601 50.758 -14.569 0.00 0.00 C ATOM 3801 C6 A A 181 90.910 50.539 -14.063 0.00 0.00 C ATOM 3802 N6 A A 181 91.656 49.462 -14.244 0.00 0.00 N ATOM 3803 N1 A A 181 91.507 51.452 -13.299 0.00 0.00 N ATOM 3804 C2 A A 181 90.837 52.559 -13.021 0.00 0.00 C ATOM 3805 N3 A A 181 89.608 52.899 -13.405 0.00 0.00 N ATOM 3806 C4 A A 181 89.029 51.950 -14.194 0.00 0.00 C ATOM 3807 P A A 182 84.314 56.414 -15.505 0.00 0.00 P ATOM 3808 O1P A A 182 83.938 57.213 -16.691 0.00 0.00 O ATOM 3809 O2P A A 182 85.720 56.378 -15.084 0.00 0.00 O ATOM 3810 O5* A A 182 83.406 56.974 -14.269 0.00 0.00 O ATOM 3811 C5* A A 182 83.794 56.909 -12.907 0.00 0.00 C ATOM 3812 C4* A A 182 83.908 58.296 -12.245 0.00 0.00 C ATOM 3813 O4* A A 182 84.486 58.048 -10.972 0.00 0.00 O ATOM 3814 C3* A A 182 84.771 59.373 -12.945 0.00 0.00 C ATOM 3815 O3* A A 182 84.027 60.415 -13.562 0.00 0.00 O ATOM 3816 C2* A A 182 85.624 59.930 -11.787 0.00 0.00 C ATOM 3817 O2* A A 182 85.037 60.986 -11.025 0.00 0.00 O ATOM 3818 C1* A A 182 85.727 58.723 -10.878 0.00 0.00 C ATOM 3819 N9 A A 182 86.880 57.878 -11.256 0.00 0.00 N ATOM 3820 C8 A A 182 87.124 57.126 -12.381 0.00 0.00 C ATOM 3821 N7 A A 182 88.224 56.431 -12.333 0.00 0.00 N ATOM 3822 C5 A A 182 88.784 56.828 -11.126 0.00 0.00 C ATOM 3823 C6 A A 182 90.003 56.550 -10.495 0.00 0.00 C ATOM 3824 N6 A A 182 90.874 55.744 -11.059 0.00 0.00 N ATOM 3825 N1 A A 182 90.346 57.181 -9.369 0.00 0.00 N ATOM 3826 C2 A A 182 89.497 58.086 -8.887 0.00 0.00 C ATOM 3827 N3 A A 182 88.313 58.445 -9.372 0.00 0.00 N ATOM 3828 C4 A A 182 88.014 57.764 -10.505 0.00 0.00 C ATOM 3829 P C A 183 84.718 61.510 -14.530 0.00 0.00 P ATOM 3830 O1P C A 183 84.136 62.832 -14.211 0.00 0.00 O ATOM 3831 O2P C A 183 84.642 61.023 -15.923 0.00 0.00 O ATOM 3832 O5* C A 183 86.277 61.622 -14.134 0.00 0.00 O ATOM 3833 C5* C A 183 87.326 61.449 -15.079 0.00 0.00 C ATOM 3834 C4* C A 183 88.598 61.072 -14.322 0.00 0.00 C ATOM 3835 O4* C A 183 88.438 59.731 -13.865 0.00 0.00 O ATOM 3836 C3* C A 183 89.886 61.119 -15.160 0.00 0.00 C ATOM 3837 O3* C A 183 90.509 62.411 -15.224 0.00 0.00 O ATOM 3838 C2* C A 183 90.699 60.095 -14.358 0.00 0.00 C ATOM 3839 O2* C A 183 91.140 60.657 -13.133 0.00 0.00 O ATOM 3840 C1* C A 183 89.668 59.032 -13.962 0.00 0.00 C ATOM 3841 N1 C A 183 89.577 57.857 -14.887 0.00 0.00 N ATOM 3842 C2 C A 183 90.564 56.862 -14.804 0.00 0.00 C ATOM 3843 O2 C A 183 91.523 57.002 -14.044 0.00 0.00 O ATOM 3844 N3 C A 183 90.472 55.742 -15.577 0.00 0.00 N ATOM 3845 C4 C A 183 89.421 55.587 -16.360 0.00 0.00 C ATOM 3846 N4 C A 183 89.418 54.511 -17.110 0.00 0.00 N ATOM 3847 C5 C A 183 88.385 56.550 -16.472 0.00 0.00 C ATOM 3848 C6 C A 183 88.481 57.654 -15.694 0.00 0.00 C ATOM 3849 P G A 184 91.225 62.957 -16.569 0.00 0.00 P ATOM 3850 O1P G A 184 91.840 64.290 -16.321 0.00 0.00 O ATOM 3851 O2P G A 184 90.248 62.831 -17.666 0.00 0.00 O ATOM 3852 O5* G A 184 92.447 61.958 -16.894 0.00 0.00 O ATOM 3853 C5* G A 184 93.666 62.012 -16.166 0.00 0.00 C ATOM 3854 C4* G A 184 94.491 60.735 -16.344 0.00 0.00 C ATOM 3855 O4* G A 184 93.742 59.603 -15.933 0.00 0.00 O ATOM 3856 C3* G A 184 95.001 60.456 -17.750 0.00 0.00 C ATOM 3857 O3* G A 184 96.121 61.296 -17.998 0.00 0.00 O ATOM 3858 C2* G A 184 95.295 58.951 -17.599 0.00 0.00 C ATOM 3859 O2* G A 184 96.520 58.722 -16.921 0.00 0.00 O ATOM 3860 C1* G A 184 94.144 58.489 -16.698 0.00 0.00 C ATOM 3861 N9 G A 184 92.985 58.013 -17.482 0.00 0.00 N ATOM 3862 C8 G A 184 91.789 58.626 -17.748 0.00 0.00 C ATOM 3863 N7 G A 184 90.974 57.917 -18.487 0.00 0.00 N ATOM 3864 C5 G A 184 91.682 56.728 -18.711 0.00 0.00 C ATOM 3865 C6 G A 184 91.352 55.538 -19.453 0.00 0.00 C ATOM 3866 O6 G A 184 90.301 55.257 -20.033 0.00 0.00 O ATOM 3867 N1 G A 184 92.395 54.624 -19.501 0.00 0.00 N ATOM 3868 C2 G A 184 93.597 54.812 -18.870 0.00 0.00 C ATOM 3869 N2 G A 184 94.571 53.966 -19.084 0.00 0.00 N ATOM 3870 N3 G A 184 93.918 55.884 -18.158 0.00 0.00 N ATOM 3871 C4 G A 184 92.918 56.802 -18.111 0.00 0.00 C ATOM 3872 P U A 185 96.711 61.542 -19.458 0.00 0.00 P ATOM 3873 O1P U A 185 97.797 62.536 -19.444 0.00 0.00 O ATOM 3874 O2P U A 185 95.603 61.789 -20.405 0.00 0.00 O ATOM 3875 O5* U A 185 97.355 60.187 -19.987 0.00 0.00 O ATOM 3876 C5* U A 185 98.574 59.650 -19.507 0.00 0.00 C ATOM 3877 C4* U A 185 98.895 58.352 -20.270 0.00 0.00 C ATOM 3878 O4* U A 185 97.999 57.298 -19.927 0.00 0.00 O ATOM 3879 C3* U A 185 98.790 58.514 -21.785 0.00 0.00 C ATOM 3880 O3* U A 185 99.921 59.170 -22.335 0.00 0.00 O ATOM 3881 C2* U A 185 98.560 57.066 -22.230 0.00 0.00 C ATOM 3882 O2* U A 185 99.714 56.239 -22.245 0.00 0.00 O ATOM 3883 C1* U A 185 97.659 56.559 -21.100 0.00 0.00 C ATOM 3884 N1 U A 185 96.211 56.699 -21.443 0.00 0.00 N ATOM 3885 C2 U A 185 95.611 55.708 -22.227 0.00 0.00 C ATOM 3886 O2 U A 185 96.242 54.797 -22.758 0.00 0.00 O ATOM 3887 N3 U A 185 94.245 55.794 -22.406 0.00 0.00 N ATOM 3888 C4 U A 185 93.421 56.785 -21.920 0.00 0.00 C ATOM 3889 O4 U A 185 92.209 56.754 -22.129 0.00 0.00 O ATOM 3890 C5 U A 185 94.118 57.815 -21.178 0.00 0.00 C ATOM 3891 C6 U A 185 95.459 57.752 -20.974 0.00 0.00 C ATOM 3892 P C A 186 99.789 60.116 -23.625 0.00 0.00 P ATOM 3893 O1P C A 186 101.099 60.757 -23.878 0.00 0.00 O ATOM 3894 O2P C A 186 98.569 60.947 -23.456 0.00 0.00 O ATOM 3895 O5* C A 186 99.506 59.048 -24.783 0.00 0.00 O ATOM 3896 C5* C A 186 100.486 58.111 -25.186 0.00 0.00 C ATOM 3897 C4* C A 186 99.907 57.124 -26.203 0.00 0.00 C ATOM 3898 O4* C A 186 98.903 56.310 -25.600 0.00 0.00 O ATOM 3899 C3* C A 186 99.255 57.822 -27.401 0.00 0.00 C ATOM 3900 O3* C A 186 100.176 58.398 -28.336 0.00 0.00 O ATOM 3901 C2* C A 186 98.369 56.662 -27.890 0.00 0.00 C ATOM 3902 O2* C A 186 99.052 55.646 -28.618 0.00 0.00 O ATOM 3903 C1* C A 186 97.897 56.029 -26.570 0.00 0.00 C ATOM 3904 N1 C A 186 96.570 56.563 -26.134 0.00 0.00 N ATOM 3905 C2 C A 186 95.394 55.867 -26.473 0.00 0.00 C ATOM 3906 O2 C A 186 95.423 54.825 -27.135 0.00 0.00 O ATOM 3907 N3 C A 186 94.185 56.349 -26.074 0.00 0.00 N ATOM 3908 C4 C A 186 94.134 57.471 -25.362 0.00 0.00 C ATOM 3909 N4 C A 186 92.956 57.913 -24.993 0.00 0.00 N ATOM 3910 C5 C A 186 95.295 58.210 -24.996 0.00 0.00 C ATOM 3911 C6 C A 186 96.488 57.728 -25.409 0.00 0.00 C ATOM 3912 P G A 187 99.740 59.581 -29.343 0.00 0.00 P ATOM 3913 O1P G A 187 100.873 59.960 -30.232 0.00 0.00 O ATOM 3914 O2P G A 187 99.167 60.708 -28.559 0.00 0.00 O ATOM 3915 O5* G A 187 98.559 58.936 -30.188 0.00 0.00 O ATOM 3916 C5* G A 187 98.799 57.876 -31.099 0.00 0.00 C ATOM 3917 C4* G A 187 97.476 57.323 -31.635 0.00 0.00 C ATOM 3918 O4* G A 187 96.683 56.701 -30.625 0.00 0.00 O ATOM 3919 C3* G A 187 96.613 58.414 -32.255 0.00 0.00 C ATOM 3920 O3* G A 187 97.047 58.774 -33.552 0.00 0.00 O ATOM 3921 C2* G A 187 95.265 57.702 -32.223 0.00 0.00 C ATOM 3922 O2* G A 187 95.133 56.692 -33.207 0.00 0.00 O ATOM 3923 C1* G A 187 95.308 56.970 -30.887 0.00 0.00 C ATOM 3924 N9 G A 187 94.700 57.778 -29.805 0.00 0.00 N ATOM 3925 C8 G A 187 95.301 58.644 -28.931 0.00 0.00 C ATOM 3926 N7 G A 187 94.482 59.255 -28.119 0.00 0.00 N ATOM 3927 C5 G A 187 93.217 58.768 -28.501 0.00 0.00 C ATOM 3928 C6 G A 187 91.883 59.054 -28.025 0.00 0.00 C ATOM 3929 O6 G A 187 91.532 59.765 -27.082 0.00 0.00 O ATOM 3930 N1 G A 187 90.887 58.405 -28.748 0.00 0.00 N ATOM 3931 C2 G A 187 91.157 57.513 -29.746 0.00 0.00 C ATOM 3932 N2 G A 187 90.137 56.933 -30.319 0.00 0.00 N ATOM 3933 N3 G A 187 92.375 57.143 -30.146 0.00 0.00 N ATOM 3934 C4 G A 187 93.360 57.841 -29.515 0.00 0.00 C ATOM 3935 P C A 188 97.160 60.312 -33.987 0.00 0.00 P ATOM 3936 O1P C A 188 97.546 60.348 -35.411 0.00 0.00 O ATOM 3937 O2P C A 188 98.002 61.006 -32.983 0.00 0.00 O ATOM 3938 O5* C A 188 95.645 60.849 -33.875 0.00 0.00 O ATOM 3939 C5* C A 188 95.369 62.231 -33.699 0.00 0.00 C ATOM 3940 C4* C A 188 93.999 62.628 -34.268 0.00 0.00 C ATOM 3941 O4* C A 188 93.992 62.462 -35.685 0.00 0.00 O ATOM 3942 C3* C A 188 92.824 61.829 -33.708 0.00 0.00 C ATOM 3943 O3* C A 188 92.280 62.366 -32.511 0.00 0.00 O ATOM 3944 C2* C A 188 91.842 61.934 -34.876 0.00 0.00 C ATOM 3945 O2* C A 188 91.152 63.180 -34.932 0.00 0.00 O ATOM 3946 C1* C A 188 92.758 61.884 -36.101 0.00 0.00 C ATOM 3947 N1 C A 188 92.918 60.501 -36.655 0.00 0.00 N ATOM 3948 C2 C A 188 91.801 59.876 -37.232 0.00 0.00 C ATOM 3949 O2 C A 188 90.722 60.461 -37.295 0.00 0.00 O ATOM 3950 N3 C A 188 91.913 58.621 -37.748 0.00 0.00 N ATOM 3951 C4 C A 188 93.093 58.023 -37.757 0.00 0.00 C ATOM 3952 N4 C A 188 93.125 56.810 -38.263 0.00 0.00 N ATOM 3953 C5 C A 188 94.277 58.649 -37.272 0.00 0.00 C ATOM 3954 C6 C A 188 94.146 59.881 -36.720 0.00 0.00 C ATOM 3955 P A A 189 91.583 61.418 -31.419 0.00 0.00 P ATOM 3956 O1P A A 189 90.969 62.272 -30.382 0.00 0.00 O ATOM 3957 O2P A A 189 92.594 60.408 -31.047 0.00 0.00 O ATOM 3958 O5* A A 189 90.411 60.651 -32.220 0.00 0.00 O ATOM 3959 C5* A A 189 89.215 61.285 -32.646 0.00 0.00 C ATOM 3960 C4* A A 189 88.430 60.339 -33.570 0.00 0.00 C ATOM 3961 O4* A A 189 89.222 59.954 -34.685 0.00 0.00 O ATOM 3962 C3* A A 189 87.985 59.046 -32.898 0.00 0.00 C ATOM 3963 O3* A A 189 86.759 59.210 -32.208 0.00 0.00 O ATOM 3964 C2* A A 189 87.904 58.099 -34.101 0.00 0.00 C ATOM 3965 O2* A A 189 86.743 58.275 -34.896 0.00 0.00 O ATOM 3966 C1* A A 189 89.078 58.567 -34.949 0.00 0.00 C ATOM 3967 N9 A A 189 90.325 57.796 -34.685 0.00 0.00 N ATOM 3968 C8 A A 189 91.469 58.152 -34.002 0.00 0.00 C ATOM 3969 N7 A A 189 92.455 57.292 -34.103 0.00 0.00 N ATOM 3970 C5 A A 189 91.906 56.273 -34.887 0.00 0.00 C ATOM 3971 C6 A A 189 92.390 55.043 -35.400 0.00 0.00 C ATOM 3972 N6 A A 189 93.605 54.547 -35.208 0.00 0.00 N ATOM 3973 N1 A A 189 91.607 54.269 -36.156 0.00 0.00 N ATOM 3974 C2 A A 189 90.364 54.673 -36.388 0.00 0.00 C ATOM 3975 N3 A A 189 89.774 55.791 -35.979 0.00 0.00 N ATOM 3976 C4 A A 189 90.609 56.563 -35.227 0.00 0.00 C ATOM 3977 P A A 190 86.325 58.194 -31.050 0.00 0.00 P ATOM 3978 O1P A A 190 85.125 58.739 -30.385 0.00 0.00 O ATOM 3979 O2P A A 190 87.549 57.867 -30.274 0.00 0.00 O ATOM 3980 O5* A A 190 85.918 56.869 -31.862 0.00 0.00 O ATOM 3981 C5* A A 190 84.732 56.725 -32.619 0.00 0.00 C ATOM 3982 C4* A A 190 84.849 55.420 -33.423 0.00 0.00 C ATOM 3983 O4* A A 190 86.028 55.442 -34.235 0.00 0.00 O ATOM 3984 C3* A A 190 84.949 54.166 -32.553 0.00 0.00 C ATOM 3985 O3* A A 190 83.700 53.635 -32.139 0.00 0.00 O ATOM 3986 C2* A A 190 85.670 53.215 -33.517 0.00 0.00 C ATOM 3987 O2* A A 190 84.832 52.680 -34.536 0.00 0.00 O ATOM 3988 C1* A A 190 86.659 54.160 -34.190 0.00 0.00 C ATOM 3989 N9 A A 190 87.962 54.169 -33.467 0.00 0.00 N ATOM 3990 C8 A A 190 88.418 55.000 -32.469 0.00 0.00 C ATOM 3991 N7 A A 190 89.667 54.814 -32.138 0.00 0.00 N ATOM 3992 C5 A A 190 90.043 53.714 -32.902 0.00 0.00 C ATOM 3993 C6 A A 190 91.222 52.938 -32.993 0.00 0.00 C ATOM 3994 N6 A A 190 92.336 53.171 -32.314 0.00 0.00 N ATOM 3995 N1 A A 190 91.269 51.868 -33.787 0.00 0.00 N ATOM 3996 C2 A A 190 90.185 51.581 -34.502 0.00 0.00 C ATOM 3997 N3 A A 190 89.018 52.224 -34.536 0.00 0.00 N ATOM 3998 C4 A A 190 89.005 53.294 -33.692 0.00 0.00 C ATOM 3999 P G A 191 83.390 53.311 -30.592 0.00 0.00 P ATOM 4000 O1P G A 191 82.251 52.370 -30.546 0.00 0.00 O ATOM 4001 O2P G A 191 83.326 54.591 -29.861 0.00 0.00 O ATOM 4002 O5* G A 191 84.713 52.530 -30.115 0.00 0.00 O ATOM 4003 C5* G A 191 85.083 51.292 -30.692 0.00 0.00 C ATOM 4004 C4* G A 191 86.606 51.115 -30.621 0.00 0.00 C ATOM 4005 O4* G A 191 87.301 52.342 -30.830 0.00 0.00 O ATOM 4006 C3* G A 191 87.088 50.587 -29.283 0.00 0.00 C ATOM 4007 O3* G A 191 86.838 49.197 -29.167 0.00 0.00 O ATOM 4008 C2* G A 191 88.571 50.966 -29.372 0.00 0.00 C ATOM 4009 O2* G A 191 89.346 50.111 -30.198 0.00 0.00 O ATOM 4010 C1* G A 191 88.522 52.300 -30.108 0.00 0.00 C ATOM 4011 N9 G A 191 88.677 53.432 -29.169 0.00 0.00 N ATOM 4012 C8 G A 191 87.744 54.254 -28.589 0.00 0.00 C ATOM 4013 N7 G A 191 88.252 55.127 -27.756 0.00 0.00 N ATOM 4014 C5 G A 191 89.629 54.887 -27.806 0.00 0.00 C ATOM 4015 C6 G A 191 90.748 55.508 -27.143 0.00 0.00 C ATOM 4016 O6 G A 191 90.778 56.434 -26.331 0.00 0.00 O ATOM 4017 N1 G A 191 91.967 54.951 -27.494 0.00 0.00 N ATOM 4018 C2 G A 191 92.102 53.914 -28.373 0.00 0.00 C ATOM 4019 N2 G A 191 93.298 53.420 -28.590 0.00 0.00 N ATOM 4020 N3 G A 191 91.096 53.313 -28.998 0.00 0.00 N ATOM 4021 C4 G A 191 89.885 53.851 -28.678 0.00 0.00 C ATOM 4022 P A A 192 86.934 48.453 -27.752 0.00 0.00 P ATOM 4023 O1P A A 192 86.490 47.057 -27.939 0.00 0.00 O ATOM 4024 O2P A A 192 86.299 49.323 -26.740 0.00 0.00 O ATOM 4025 O5* A A 192 88.518 48.469 -27.486 0.00 0.00 O ATOM 4026 C5* A A 192 89.397 47.570 -28.135 0.00 0.00 C ATOM 4027 C4* A A 192 90.833 47.832 -27.667 0.00 0.00 C ATOM 4028 O4* A A 192 91.249 49.171 -27.939 0.00 0.00 O ATOM 4029 C3* A A 192 90.986 47.644 -26.163 0.00 0.00 C ATOM 4030 O3* A A 192 91.036 46.285 -25.775 0.00 0.00 O ATOM 4031 C2* A A 192 92.278 48.424 -25.918 0.00 0.00 C ATOM 4032 O2* A A 192 93.452 47.727 -26.322 0.00 0.00 O ATOM 4033 C1* A A 192 92.080 49.612 -26.862 0.00 0.00 C ATOM 4034 N9 A A 192 91.456 50.754 -26.146 0.00 0.00 N ATOM 4035 C8 A A 192 90.123 51.040 -25.966 0.00 0.00 C ATOM 4036 N7 A A 192 89.891 52.162 -25.339 0.00 0.00 N ATOM 4037 C5 A A 192 91.170 52.638 -25.049 0.00 0.00 C ATOM 4038 C6 A A 192 91.664 53.776 -24.372 0.00 0.00 C ATOM 4039 N6 A A 192 90.904 54.743 -23.883 0.00 0.00 N ATOM 4040 N1 A A 192 92.979 53.943 -24.202 0.00 0.00 N ATOM 4041 C2 A A 192 93.793 53.027 -24.711 0.00 0.00 C ATOM 4042 N3 A A 192 93.480 51.908 -25.366 0.00 0.00 N ATOM 4043 C4 A A 192 92.129 51.772 -25.507 0.00 0.00 C ATOM 4044 P C A 193 90.621 45.855 -24.289 0.00 0.00 P ATOM 4045 O1P C A 193 90.754 44.391 -24.173 0.00 0.00 O ATOM 4046 O2P C A 193 89.352 46.531 -23.954 0.00 0.00 O ATOM 4047 O5* C A 193 91.761 46.552 -23.411 0.00 0.00 O ATOM 4048 C5* C A 193 93.095 46.092 -23.409 0.00 0.00 C ATOM 4049 C4* C A 193 93.929 47.054 -22.559 0.00 0.00 C ATOM 4050 O4* C A 193 93.905 48.398 -23.051 0.00 0.00 O ATOM 4051 C3* C A 193 93.456 47.114 -21.100 0.00 0.00 C ATOM 4052 O3* C A 193 93.875 45.989 -20.340 0.00 0.00 O ATOM 4053 C2* C A 193 94.109 48.445 -20.720 0.00 0.00 C ATOM 4054 O2* C A 193 95.513 48.350 -20.585 0.00 0.00 O ATOM 4055 C1* C A 193 93.964 49.308 -21.953 0.00 0.00 C ATOM 4056 N1 C A 193 92.783 50.209 -21.883 0.00 0.00 N ATOM 4057 C2 C A 193 92.938 51.502 -21.352 0.00 0.00 C ATOM 4058 O2 C A 193 94.017 51.904 -20.913 0.00 0.00 O ATOM 4059 N3 C A 193 91.873 52.345 -21.301 0.00 0.00 N ATOM 4060 C4 C A 193 90.702 51.931 -21.770 0.00 0.00 C ATOM 4061 N4 C A 193 89.718 52.797 -21.782 0.00 0.00 N ATOM 4062 C5 C A 193 90.491 50.624 -22.290 0.00 0.00 C ATOM 4063 C6 C A 193 91.553 49.789 -22.322 0.00 0.00 C ATOM 4064 P C A 194 93.732 45.898 -18.751 0.00 0.00 P ATOM 4065 O1P C A 194 94.330 44.639 -18.263 0.00 0.00 O ATOM 4066 O2P C A 194 92.343 46.256 -18.421 0.00 0.00 O ATOM 4067 O5* C A 194 94.637 47.087 -18.199 0.00 0.00 O ATOM 4068 C5* C A 194 95.982 47.022 -17.798 0.00 0.00 C ATOM 4069 C4* C A 194 96.210 48.327 -17.016 0.00 0.00 C ATOM 4070 O4* C A 194 95.760 49.498 -17.708 0.00 0.00 O ATOM 4071 C3* C A 194 95.416 48.311 -15.720 0.00 0.00 C ATOM 4072 O3* C A 194 96.037 47.455 -14.777 0.00 0.00 O ATOM 4073 C2* C A 194 95.382 49.799 -15.369 0.00 0.00 C ATOM 4074 O2* C A 194 96.610 50.281 -14.844 0.00 0.00 O ATOM 4075 C1* C A 194 95.170 50.404 -16.762 0.00 0.00 C ATOM 4076 N1 C A 194 93.716 50.659 -17.055 0.00 0.00 N ATOM 4077 C2 C A 194 93.169 51.920 -16.770 0.00 0.00 C ATOM 4078 O2 C A 194 93.823 52.734 -16.121 0.00 0.00 O ATOM 4079 N3 C A 194 91.913 52.240 -17.214 0.00 0.00 N ATOM 4080 C4 C A 194 91.221 51.343 -17.903 0.00 0.00 C ATOM 4081 N4 C A 194 90.004 51.674 -18.277 0.00 0.00 N ATOM 4082 C5 C A 194 91.715 50.035 -18.171 0.00 0.00 C ATOM 4083 C6 C A 194 92.935 49.719 -17.679 0.00 0.00 C ATOM 4084 P A A 195 95.248 46.214 -14.124 0.00 0.00 P ATOM 4085 O1P A A 195 96.201 45.103 -13.979 0.00 0.00 O ATOM 4086 O2P A A 195 93.974 46.009 -14.842 0.00 0.00 O ATOM 4087 O5* A A 195 94.940 46.824 -12.695 0.00 0.00 O ATOM 4088 C5* A A 195 94.013 47.865 -12.541 0.00 0.00 C ATOM 4089 C4* A A 195 94.509 48.749 -11.410 0.00 0.00 C ATOM 4090 O4* A A 195 93.810 49.979 -11.417 0.00 0.00 O ATOM 4091 C3* A A 195 94.330 48.098 -10.041 0.00 0.00 C ATOM 4092 O3* A A 195 95.415 47.228 -9.758 0.00 0.00 O ATOM 4093 C2* A A 195 94.311 49.357 -9.180 0.00 0.00 C ATOM 4094 O2* A A 195 95.638 49.796 -8.950 0.00 0.00 O ATOM 4095 C1* A A 195 93.630 50.404 -10.077 0.00 0.00 C ATOM 4096 N9 A A 195 92.174 50.558 -9.857 0.00 0.00 N ATOM 4097 C8 A A 195 91.159 49.807 -10.393 0.00 0.00 C ATOM 4098 N7 A A 195 89.965 50.287 -10.177 0.00 0.00 N ATOM 4099 C5 A A 195 90.205 51.455 -9.451 0.00 0.00 C ATOM 4100 C6 A A 195 89.376 52.467 -8.902 0.00 0.00 C ATOM 4101 N6 A A 195 88.050 52.468 -8.964 0.00 0.00 N ATOM 4102 N1 A A 195 89.920 53.504 -8.250 0.00 0.00 N ATOM 4103 C2 A A 195 91.248 53.535 -8.143 0.00 0.00 C ATOM 4104 N3 A A 195 92.149 52.644 -8.565 0.00 0.00 N ATOM 4105 C4 A A 195 91.550 51.618 -9.235 0.00 0.00 C ATOM 4106 P A A 196 95.261 45.932 -8.829 0.00 0.00 P ATOM 4107 O1P A A 196 96.508 45.145 -8.938 0.00 0.00 O ATOM 4108 O2P A A 196 93.947 45.312 -9.120 0.00 0.00 O ATOM 4109 O5* A A 196 95.199 46.558 -7.344 0.00 0.00 O ATOM 4110 C5* A A 196 96.357 47.092 -6.724 0.00 0.00 C ATOM 4111 C4* A A 196 95.980 47.877 -5.461 0.00 0.00 C ATOM 4112 O4* A A 196 95.019 48.867 -5.818 0.00 0.00 O ATOM 4113 C3* A A 196 95.414 47.030 -4.317 0.00 0.00 C ATOM 4114 O3* A A 196 96.385 46.746 -3.312 0.00 0.00 O ATOM 4115 C2* A A 196 94.317 47.949 -3.743 0.00 0.00 C ATOM 4116 O2* A A 196 94.784 48.766 -2.662 0.00 0.00 O ATOM 4117 C1* A A 196 93.939 48.881 -4.905 0.00 0.00 C ATOM 4118 N9 A A 196 92.664 48.566 -5.618 0.00 0.00 N ATOM 4119 C8 A A 196 92.325 47.457 -6.364 0.00 0.00 C ATOM 4120 N7 A A 196 91.152 47.528 -6.940 0.00 0.00 N ATOM 4121 C5 A A 196 90.661 48.772 -6.532 0.00 0.00 C ATOM 4122 C6 A A 196 89.459 49.490 -6.771 0.00 0.00 C ATOM 4123 N6 A A 196 88.432 49.047 -7.482 0.00 0.00 N ATOM 4124 N1 A A 196 89.316 50.743 -6.317 0.00 0.00 N ATOM 4125 C2 A A 196 90.317 51.259 -5.614 0.00 0.00 C ATOM 4126 N3 A A 196 91.463 50.685 -5.238 0.00 0.00 N ATOM 4127 C4 A A 196 91.584 49.422 -5.749 0.00 0.00 C ATOM 4128 P A A 197 97.246 45.386 -3.244 0.00 0.00 P ATOM 4129 O1P A A 197 98.522 45.776 -2.611 0.00 0.00 O ATOM 4130 O2P A A 197 97.267 44.770 -4.579 0.00 0.00 O ATOM 4131 O5* A A 197 96.479 44.395 -2.204 0.00 0.00 O ATOM 4132 C5* A A 197 95.125 44.579 -1.809 0.00 0.00 C ATOM 4133 C4* A A 197 94.932 44.471 -0.277 0.00 0.00 C ATOM 4134 O4* A A 197 96.077 44.989 0.383 0.00 0.00 O ATOM 4135 C3* A A 197 93.715 45.318 0.140 0.00 0.00 C ATOM 4136 O3* A A 197 92.500 44.624 0.483 0.00 0.00 O ATOM 4137 C2* A A 197 94.310 46.436 1.022 0.00 0.00 C ATOM 4138 O2* A A 197 93.587 46.687 2.205 0.00 0.00 O ATOM 4139 C1* A A 197 95.763 46.020 1.295 0.00 0.00 C ATOM 4140 N9 A A 197 96.795 47.080 1.105 0.00 0.00 N ATOM 4141 C8 A A 197 97.538 47.321 -0.029 0.00 0.00 C ATOM 4142 N7 A A 197 98.667 47.946 0.180 0.00 0.00 N ATOM 4143 C5 A A 197 98.611 48.250 1.538 0.00 0.00 C ATOM 4144 C6 A A 197 99.471 48.939 2.425 0.00 0.00 C ATOM 4145 N6 A A 197 100.664 49.427 2.119 0.00 0.00 N ATOM 4146 N1 A A 197 99.110 49.140 3.692 0.00 0.00 N ATOM 4147 C2 A A 197 97.958 48.625 4.098 0.00 0.00 C ATOM 4148 N3 A A 197 97.059 47.933 3.396 0.00 0.00 N ATOM 4149 C4 A A 197 97.447 47.782 2.098 0.00 0.00 C ATOM 4150 P G A 198 92.210 43.599 1.711 0.00 0.00 P ATOM 4151 O1P G A 198 91.885 42.283 1.128 0.00 0.00 O ATOM 4152 O2P G A 198 91.199 44.228 2.601 0.00 0.00 O ATOM 4153 O5* G A 198 93.551 43.374 2.540 0.00 0.00 O ATOM 4154 C5* G A 198 93.517 42.759 3.820 0.00 0.00 C ATOM 4155 C4* G A 198 94.760 43.168 4.611 0.00 0.00 C ATOM 4156 O4* G A 198 95.205 44.441 4.142 0.00 0.00 O ATOM 4157 C3* G A 198 94.506 43.363 6.119 0.00 0.00 C ATOM 4158 O3* G A 198 94.438 42.202 6.953 0.00 0.00 O ATOM 4159 C2* G A 198 95.679 44.310 6.412 0.00 0.00 C ATOM 4160 O2* G A 198 96.914 43.607 6.339 0.00 0.00 O ATOM 4161 C1* G A 198 95.547 45.267 5.227 0.00 0.00 C ATOM 4162 N9 G A 198 94.485 46.288 5.418 0.00 0.00 N ATOM 4163 C8 G A 198 93.163 46.278 5.036 0.00 0.00 C ATOM 4164 N7 G A 198 92.523 47.390 5.273 0.00 0.00 N ATOM 4165 C5 G A 198 93.503 48.223 5.819 0.00 0.00 C ATOM 4166 C6 G A 198 93.471 49.604 6.212 0.00 0.00 C ATOM 4167 O6 G A 198 92.532 50.396 6.182 0.00 0.00 O ATOM 4168 N1 G A 198 94.702 50.084 6.637 0.00 0.00 N ATOM 4169 C2 G A 198 95.799 49.289 6.780 0.00 0.00 C ATOM 4170 N2 G A 198 96.866 49.841 7.290 0.00 0.00 N ATOM 4171 N3 G A 198 95.858 48.004 6.451 0.00 0.00 N ATOM 4172 C4 G A 198 94.690 47.537 5.939 0.00 0.00 C ATOM 4173 P A A 199 93.815 42.296 8.446 0.00 0.00 P ATOM 4174 O1P A A 199 93.986 41.019 9.181 0.00 0.00 O ATOM 4175 O2P A A 199 92.457 42.894 8.319 0.00 0.00 O ATOM 4176 O5* A A 199 94.720 43.383 9.185 0.00 0.00 O ATOM 4177 C5* A A 199 96.072 43.121 9.529 0.00 0.00 C ATOM 4178 C4* A A 199 96.738 44.346 10.167 0.00 0.00 C ATOM 4179 O4* A A 199 96.720 45.501 9.336 0.00 0.00 O ATOM 4180 C3* A A 199 96.044 44.707 11.469 0.00 0.00 C ATOM 4181 O3* A A 199 96.443 43.816 12.508 0.00 0.00 O ATOM 4182 C2* A A 199 96.469 46.174 11.597 0.00 0.00 C ATOM 4183 O2* A A 199 97.812 46.321 12.015 0.00 0.00 O ATOM 4184 C1* A A 199 96.394 46.633 10.137 0.00 0.00 C ATOM 4185 N9 A A 199 95.041 47.124 9.776 0.00 0.00 N ATOM 4186 C8 A A 199 94.089 46.524 8.989 0.00 0.00 C ATOM 4187 N7 A A 199 93.024 47.245 8.761 0.00 0.00 N ATOM 4188 C5 A A 199 93.294 48.422 9.481 0.00 0.00 C ATOM 4189 C6 A A 199 92.612 49.649 9.675 0.00 0.00 C ATOM 4190 N6 A A 199 91.504 49.991 9.036 0.00 0.00 N ATOM 4191 N1 A A 199 93.120 50.597 10.472 0.00 0.00 N ATOM 4192 C2 A A 199 94.289 50.351 11.062 0.00 0.00 C ATOM 4193 N3 A A 199 95.062 49.278 10.934 0.00 0.00 N ATOM 4194 C4 A A 199 94.502 48.339 10.125 0.00 0.00 C ATOM 4195 P G A 200 95.467 43.474 13.716 0.00 0.00 P ATOM 4196 O1P G A 200 96.166 42.588 14.682 0.00 0.00 O ATOM 4197 O2P G A 200 94.174 43.039 13.137 0.00 0.00 O ATOM 4198 O5* G A 200 95.336 44.905 14.398 0.00 0.00 O ATOM 4199 C5* G A 200 96.460 45.502 15.033 0.00 0.00 C ATOM 4200 C4* G A 200 96.079 46.846 15.636 0.00 0.00 C ATOM 4201 O4* G A 200 95.843 47.824 14.640 0.00 0.00 O ATOM 4202 C3* G A 200 94.784 46.757 16.430 0.00 0.00 C ATOM 4203 O3* G A 200 94.929 45.999 17.619 0.00 0.00 O ATOM 4204 C2* G A 200 94.485 48.248 16.564 0.00 0.00 C ATOM 4205 O2* G A 200 95.305 48.918 17.508 0.00 0.00 O ATOM 4206 C1* G A 200 94.875 48.725 15.157 0.00 0.00 C ATOM 4207 N9 G A 200 93.687 48.757 14.276 0.00 0.00 N ATOM 4208 C8 G A 200 93.236 47.848 13.353 0.00 0.00 C ATOM 4209 N7 G A 200 92.125 48.197 12.756 0.00 0.00 N ATOM 4210 C5 G A 200 91.807 49.435 13.331 0.00 0.00 C ATOM 4211 C6 G A 200 90.709 50.350 13.127 0.00 0.00 C ATOM 4212 O6 G A 200 89.749 50.282 12.352 0.00 0.00 O ATOM 4213 N1 G A 200 90.776 51.461 13.961 0.00 0.00 N ATOM 4214 C2 G A 200 91.783 51.677 14.867 0.00 0.00 C ATOM 4215 N2 G A 200 91.729 52.733 15.639 0.00 0.00 N ATOM 4216 N3 G A 200 92.804 50.858 15.074 0.00 0.00 N ATOM 4217 C4 G A 200 92.762 49.762 14.271 0.00 0.00 C ATOM 4218 P G A 201 93.670 45.361 18.361 0.00 0.00 P ATOM 4219 O1P G A 201 94.190 44.480 19.424 0.00 0.00 O ATOM 4220 O2P G A 201 92.821 44.685 17.346 0.00 0.00 O ATOM 4221 O5* G A 201 92.839 46.584 18.948 0.00 0.00 O ATOM 4222 C5* G A 201 93.412 47.485 19.881 0.00 0.00 C ATOM 4223 C4* G A 201 92.516 48.718 20.011 0.00 0.00 C ATOM 4224 O4* G A 201 92.421 49.443 18.795 0.00 0.00 O ATOM 4225 C3* G A 201 91.095 48.342 20.405 0.00 0.00 C ATOM 4226 O3* G A 201 91.045 47.994 21.778 0.00 0.00 O ATOM 4227 C2* G A 201 90.365 49.625 19.999 0.00 0.00 C ATOM 4228 O2* G A 201 90.528 50.696 20.915 0.00 0.00 O ATOM 4229 C1* G A 201 91.114 49.991 18.712 0.00 0.00 C ATOM 4230 N9 G A 201 90.395 49.477 17.532 0.00 0.00 N ATOM 4231 C8 G A 201 90.621 48.369 16.758 0.00 0.00 C ATOM 4232 N7 G A 201 89.779 48.231 15.768 0.00 0.00 N ATOM 4233 C5 G A 201 88.945 49.355 15.882 0.00 0.00 C ATOM 4234 C6 G A 201 87.853 49.851 15.085 0.00 0.00 C ATOM 4235 O6 G A 201 87.338 49.382 14.078 0.00 0.00 O ATOM 4236 N1 G A 201 87.338 51.062 15.521 0.00 0.00 N ATOM 4237 C2 G A 201 87.747 51.671 16.671 0.00 0.00 C ATOM 4238 N2 G A 201 87.062 52.707 17.088 0.00 0.00 N ATOM 4239 N3 G A 201 88.738 51.244 17.444 0.00 0.00 N ATOM 4240 C4 G A 201 89.314 50.100 16.978 0.00 0.00 C ATOM 4241 P G A 202 89.854 47.122 22.384 0.00 0.00 P ATOM 4242 O1P G A 202 90.136 47.039 23.836 0.00 0.00 O ATOM 4243 O2P G A 202 89.652 45.877 21.612 0.00 0.00 O ATOM 4244 O5* G A 202 88.514 47.957 22.154 0.00 0.00 O ATOM 4245 C5* G A 202 88.240 49.132 22.887 0.00 0.00 C ATOM 4246 C4* G A 202 86.954 49.789 22.381 0.00 0.00 C ATOM 4247 O4* G A 202 87.085 50.284 21.058 0.00 0.00 O ATOM 4248 C3* G A 202 85.775 48.827 22.353 0.00 0.00 C ATOM 4249 O3* G A 202 85.299 48.548 23.657 0.00 0.00 O ATOM 4250 C2* G A 202 84.820 49.610 21.457 0.00 0.00 C ATOM 4251 O2* G A 202 84.156 50.668 22.142 0.00 0.00 O ATOM 4252 C1* G A 202 85.810 50.186 20.433 0.00 0.00 C ATOM 4253 N9 G A 202 85.876 49.338 19.220 0.00 0.00 N ATOM 4254 C8 G A 202 86.781 48.383 18.830 0.00 0.00 C ATOM 4255 N7 G A 202 86.540 47.872 17.649 0.00 0.00 N ATOM 4256 C5 G A 202 85.367 48.516 17.229 0.00 0.00 C ATOM 4257 C6 G A 202 84.562 48.423 16.030 0.00 0.00 C ATOM 4258 O6 G A 202 84.722 47.763 15.003 0.00 0.00 O ATOM 4259 N1 G A 202 83.439 49.239 16.066 0.00 0.00 N ATOM 4260 C2 G A 202 83.146 50.080 17.105 0.00 0.00 C ATOM 4261 N2 G A 202 82.075 50.829 17.049 0.00 0.00 N ATOM 4262 N3 G A 202 83.876 50.216 18.201 0.00 0.00 N ATOM 4263 C4 G A 202 84.966 49.403 18.204 0.00 0.00 C ATOM 4264 P G A 203 84.527 47.190 23.958 0.00 0.00 P ATOM 4265 O1P G A 203 84.188 47.125 25.389 0.00 0.00 O ATOM 4266 O2P G A 203 85.247 46.034 23.357 0.00 0.00 O ATOM 4267 O5* G A 203 83.138 47.280 23.178 0.00 0.00 O ATOM 4268 C5* G A 203 82.122 48.183 23.592 0.00 0.00 C ATOM 4269 C4* G A 203 81.062 48.342 22.511 0.00 0.00 C ATOM 4270 O4* G A 203 81.644 48.869 21.328 0.00 0.00 O ATOM 4271 C3* G A 203 80.324 47.064 22.131 0.00 0.00 C ATOM 4272 O3* G A 203 79.467 46.696 23.199 0.00 0.00 O ATOM 4273 C2* G A 203 79.739 47.563 20.805 0.00 0.00 C ATOM 4274 O2* G A 203 78.715 48.534 20.916 0.00 0.00 O ATOM 4275 C1* G A 203 80.920 48.336 20.234 0.00 0.00 C ATOM 4276 N9 G A 203 81.757 47.461 19.394 0.00 0.00 N ATOM 4277 C8 G A 203 82.923 46.790 19.660 0.00 0.00 C ATOM 4278 N7 G A 203 83.375 46.093 18.649 0.00 0.00 N ATOM 4279 C5 G A 203 82.431 46.319 17.637 0.00 0.00 C ATOM 4280 C6 G A 203 82.318 45.846 16.281 0.00 0.00 C ATOM 4281 O6 G A 203 83.052 45.082 15.661 0.00 0.00 O ATOM 4282 N1 G A 203 81.188 46.327 15.623 0.00 0.00 N ATOM 4283 C2 G A 203 80.226 47.084 16.232 0.00 0.00 C ATOM 4284 N2 G A 203 79.080 47.273 15.624 0.00 0.00 N ATOM 4285 N3 G A 203 80.303 47.539 17.473 0.00 0.00 N ATOM 4286 C4 G A 203 81.433 47.137 18.112 0.00 0.00 C ATOM 4287 P G A 204 78.123 45.828 23.041 0.00 0.00 P ATOM 4288 O1P G A 204 78.249 44.646 23.922 0.00 0.00 O ATOM 4289 O2P G A 204 77.769 45.666 21.612 0.00 0.00 O ATOM 4290 O5* G A 204 77.143 46.910 23.723 0.00 0.00 O ATOM 4291 C5* G A 204 76.970 46.925 25.130 0.00 0.00 C ATOM 4292 C4* G A 204 76.686 48.317 25.723 0.00 0.00 C ATOM 4293 O4* G A 204 76.206 48.074 27.042 0.00 0.00 O ATOM 4294 C3* G A 204 77.956 49.187 25.838 0.00 0.00 C ATOM 4295 O3* G A 204 78.141 50.260 24.909 0.00 0.00 O ATOM 4296 C2* G A 204 78.110 49.518 27.339 0.00 0.00 C ATOM 4297 O2* G A 204 78.104 50.890 27.697 0.00 0.00 O ATOM 4298 C1* G A 204 76.958 48.770 28.024 0.00 0.00 C ATOM 4299 N9 G A 204 77.481 47.828 29.052 0.00 0.00 N ATOM 4300 C8 G A 204 78.367 46.794 28.874 0.00 0.00 C ATOM 4301 N7 G A 204 78.734 46.202 29.975 0.00 0.00 N ATOM 4302 C5 G A 204 78.025 46.874 30.975 0.00 0.00 C ATOM 4303 C6 G A 204 77.985 46.683 32.404 0.00 0.00 C ATOM 4304 O6 G A 204 78.577 45.867 33.104 0.00 0.00 O ATOM 4305 N1 G A 204 77.141 47.564 33.061 0.00 0.00 N ATOM 4306 C2 G A 204 76.417 48.528 32.414 0.00 0.00 C ATOM 4307 N2 G A 204 75.630 49.290 33.147 0.00 0.00 N ATOM 4308 N3 G A 204 76.439 48.742 31.092 0.00 0.00 N ATOM 4309 C4 G A 204 77.257 47.876 30.417 0.00 0.00 C ATOM 4310 P A A 205 77.060 51.412 24.532 0.00 0.00 P ATOM 4311 O1P A A 205 77.785 52.444 23.751 0.00 0.00 O ATOM 4312 O2P A A 205 76.264 51.806 25.712 0.00 0.00 O ATOM 4313 O5* A A 205 76.053 50.693 23.514 0.00 0.00 O ATOM 4314 C5* A A 205 74.678 51.044 23.468 0.00 0.00 C ATOM 4315 C4* A A 205 73.966 50.492 22.222 0.00 0.00 C ATOM 4316 O4* A A 205 74.399 51.231 21.083 0.00 0.00 O ATOM 4317 C3* A A 205 74.242 49.005 21.949 0.00 0.00 C ATOM 4318 O3* A A 205 73.095 48.458 21.314 0.00 0.00 O ATOM 4319 C2* A A 205 75.469 49.124 21.032 0.00 0.00 C ATOM 4320 O2* A A 205 75.782 48.054 20.162 0.00 0.00 O ATOM 4321 C1* A A 205 75.100 50.354 20.217 0.00 0.00 C ATOM 4322 N9 A A 205 76.299 51.001 19.645 0.00 0.00 N ATOM 4323 C8 A A 205 77.411 51.471 20.300 0.00 0.00 C ATOM 4324 N7 A A 205 78.332 51.970 19.514 0.00 0.00 N ATOM 4325 C5 A A 205 77.795 51.771 18.237 0.00 0.00 C ATOM 4326 C6 A A 205 78.250 52.036 16.923 0.00 0.00 C ATOM 4327 N6 A A 205 79.393 52.647 16.650 0.00 0.00 N ATOM 4328 N1 A A 205 77.516 51.700 15.849 0.00 0.00 N ATOM 4329 C2 A A 205 76.345 51.111 16.083 0.00 0.00 C ATOM 4330 N3 A A 205 75.771 50.841 17.252 0.00 0.00 N ATOM 4331 C4 A A 205 76.562 51.180 18.307 0.00 0.00 C ATOM 4332 P C A 206 72.544 47.007 21.726 0.00 0.00 P ATOM 4333 O1P C A 206 71.298 46.756 20.970 0.00 0.00 O ATOM 4334 O2P C A 206 72.545 46.911 23.202 0.00 0.00 O ATOM 4335 O5* C A 206 73.713 46.064 21.140 0.00 0.00 O ATOM 4336 C5* C A 206 73.444 44.822 20.506 0.00 0.00 C ATOM 4337 C4* C A 206 73.191 44.929 18.990 0.00 0.00 C ATOM 4338 O4* C A 206 74.256 45.577 18.293 0.00 0.00 O ATOM 4339 C3* C A 206 73.107 43.526 18.385 0.00 0.00 C ATOM 4340 O3* C A 206 71.828 42.933 18.570 0.00 0.00 O ATOM 4341 C2* C A 206 73.515 43.790 16.931 0.00 0.00 C ATOM 4342 O2* C A 206 72.471 44.345 16.143 0.00 0.00 O ATOM 4343 C1* C A 206 74.587 44.874 17.093 0.00 0.00 C ATOM 4344 N1 C A 206 75.995 44.349 17.143 0.00 0.00 N ATOM 4345 C2 C A 206 76.599 43.827 15.979 0.00 0.00 C ATOM 4346 O2 C A 206 75.984 43.723 14.913 0.00 0.00 O ATOM 4347 N3 C A 206 77.897 43.409 16.015 0.00 0.00 N ATOM 4348 C4 C A 206 78.595 43.544 17.137 0.00 0.00 C ATOM 4349 N4 C A 206 79.848 43.146 17.121 0.00 0.00 N ATOM 4350 C5 C A 206 78.041 44.089 18.329 0.00 0.00 C ATOM 4351 C6 C A 206 76.745 44.471 18.293 0.00 0.00 C ATOM 4352 P C A 207 71.631 41.337 18.675 0.00 0.00 P ATOM 4353 O1P C A 207 70.267 41.066 19.166 0.00 0.00 O ATOM 4354 O2P C A 207 72.804 40.782 19.384 0.00 0.00 O ATOM 4355 O5* C A 207 71.727 40.850 17.151 0.00 0.00 O ATOM 4356 C5* C A 207 70.758 41.195 16.184 0.00 0.00 C ATOM 4357 C4* C A 207 71.287 40.870 14.778 0.00 0.00 C ATOM 4358 O4* C A 207 72.554 41.488 14.537 0.00 0.00 O ATOM 4359 C3* C A 207 71.464 39.376 14.533 0.00 0.00 C ATOM 4360 O3* C A 207 70.248 38.764 14.138 0.00 0.00 O ATOM 4361 C2* C A 207 72.533 39.391 13.434 0.00 0.00 C ATOM 4362 O2* C A 207 72.038 39.709 12.141 0.00 0.00 O ATOM 4363 C1* C A 207 73.404 40.579 13.834 0.00 0.00 C ATOM 4364 N1 C A 207 74.608 40.168 14.620 0.00 0.00 N ATOM 4365 C2 C A 207 75.697 39.594 13.941 0.00 0.00 C ATOM 4366 O2 C A 207 75.621 39.263 12.755 0.00 0.00 O ATOM 4367 N3 C A 207 76.876 39.396 14.590 0.00 0.00 N ATOM 4368 C4 C A 207 76.979 39.751 15.869 0.00 0.00 C ATOM 4369 N4 C A 207 78.149 39.605 16.446 0.00 0.00 N ATOM 4370 C5 C A 207 75.886 40.272 16.617 0.00 0.00 C ATOM 4371 C6 C A 207 74.715 40.445 15.962 0.00 0.00 C ATOM 4372 P U A 208 70.016 37.190 14.326 0.00 0.00 P ATOM 4373 O1P U A 208 68.687 36.846 13.784 0.00 0.00 O ATOM 4374 O2P U A 208 70.379 36.839 15.713 0.00 0.00 O ATOM 4375 O5* U A 208 71.131 36.558 13.373 0.00 0.00 O ATOM 4376 C5* U A 208 70.991 36.498 11.970 0.00 0.00 C ATOM 4377 C4* U A 208 72.224 35.802 11.393 0.00 0.00 C ATOM 4378 O4* U A 208 73.442 36.507 11.660 0.00 0.00 O ATOM 4379 C3* U A 208 72.421 34.397 11.966 0.00 0.00 C ATOM 4380 O3* U A 208 71.531 33.430 11.428 0.00 0.00 O ATOM 4381 C2* U A 208 73.872 34.190 11.551 0.00 0.00 C ATOM 4382 O2* U A 208 73.918 34.004 10.143 0.00 0.00 O ATOM 4383 C1* U A 208 74.490 35.554 11.884 0.00 0.00 C ATOM 4384 N1 U A 208 75.038 35.643 13.278 0.00 0.00 N ATOM 4385 C2 U A 208 76.375 35.274 13.502 0.00 0.00 C ATOM 4386 O2 U A 208 77.073 34.723 12.653 0.00 0.00 O ATOM 4387 N3 U A 208 76.914 35.550 14.750 0.00 0.00 N ATOM 4388 C4 U A 208 76.229 36.103 15.810 0.00 0.00 C ATOM 4389 O4 U A 208 76.795 36.298 16.876 0.00 0.00 O ATOM 4390 C5 U A 208 74.836 36.386 15.536 0.00 0.00 C ATOM 4391 C6 U A 208 74.287 36.151 14.317 0.00 0.00 C ATOM 4392 P U A 209 71.085 32.139 12.285 0.00 0.00 P ATOM 4393 O1P U A 209 69.609 32.124 12.297 0.00 0.00 O ATOM 4394 O2P U A 209 71.826 32.169 13.573 0.00 0.00 O ATOM 4395 O5* U A 209 71.557 30.857 11.408 0.00 0.00 O ATOM 4396 C5* U A 209 72.897 30.614 10.996 0.00 0.00 C ATOM 4397 C4* U A 209 72.897 29.854 9.653 0.00 0.00 C ATOM 4398 O4* U A 209 72.042 30.571 8.777 0.00 0.00 O ATOM 4399 C3* U A 209 74.290 29.775 8.991 0.00 0.00 C ATOM 4400 O3* U A 209 74.923 28.494 9.026 0.00 0.00 O ATOM 4401 C2* U A 209 74.024 30.208 7.526 0.00 0.00 C ATOM 4402 O2* U A 209 74.229 29.184 6.558 0.00 0.00 O ATOM 4403 C1* U A 209 72.540 30.586 7.463 0.00 0.00 C ATOM 4404 N1 U A 209 72.269 31.910 6.825 0.00 0.00 N ATOM 4405 C2 U A 209 72.091 31.960 5.436 0.00 0.00 C ATOM 4406 O2 U A 209 72.261 30.983 4.712 0.00 0.00 O ATOM 4407 N3 U A 209 71.712 33.177 4.886 0.00 0.00 N ATOM 4408 C4 U A 209 71.526 34.347 5.596 0.00 0.00 C ATOM 4409 O4 U A 209 71.192 35.369 5.013 0.00 0.00 O ATOM 4410 C5 U A 209 71.753 34.229 7.020 0.00 0.00 C ATOM 4411 C6 U A 209 72.103 33.046 7.586 0.00 0.00 C ATOM 4412 P C A 210 75.375 27.717 10.367 0.00 0.00 P ATOM 4413 O1P C A 210 75.936 26.412 9.968 0.00 0.00 O ATOM 4414 O2P C A 210 74.257 27.761 11.330 0.00 0.00 O ATOM 4415 O5* C A 210 76.579 28.569 11.005 0.00 0.00 O ATOM 4416 C5* C A 210 77.872 28.625 10.423 0.00 0.00 C ATOM 4417 C4* C A 210 78.885 29.266 11.391 0.00 0.00 C ATOM 4418 O4* C A 210 78.288 30.455 11.893 0.00 0.00 O ATOM 4419 C3* C A 210 79.281 28.407 12.608 0.00 0.00 C ATOM 4420 O3* C A 210 80.615 28.704 13.017 0.00 0.00 O ATOM 4421 C2* C A 210 78.299 28.922 13.664 0.00 0.00 C ATOM 4422 O2* C A 210 78.693 28.711 15.014 0.00 0.00 O ATOM 4423 C1* C A 210 78.273 30.403 13.304 0.00 0.00 C ATOM 4424 N1 C A 210 77.077 31.098 13.840 0.00 0.00 N ATOM 4425 C2 C A 210 77.243 32.126 14.776 0.00 0.00 C ATOM 4426 O2 C A 210 78.360 32.545 15.067 0.00 0.00 O ATOM 4427 N3 C A 210 76.151 32.694 15.349 0.00 0.00 N ATOM 4428 C4 C A 210 74.946 32.301 14.985 0.00 0.00 C ATOM 4429 N4 C A 210 73.946 32.988 15.466 0.00 0.00 N ATOM 4430 C5 C A 210 74.730 31.271 14.026 0.00 0.00 C ATOM 4431 C6 C A 210 75.819 30.699 13.469 0.00 0.00 C ATOM 4432 P G A 211 81.862 27.724 12.716 0.00 0.00 P ATOM 4433 O1P G A 211 81.349 26.356 12.482 0.00 0.00 O ATOM 4434 O2P G A 211 82.897 27.962 13.749 0.00 0.00 O ATOM 4435 O5* G A 211 82.427 28.292 11.326 0.00 0.00 O ATOM 4436 C5* G A 211 82.928 29.616 11.210 0.00 0.00 C ATOM 4437 C4* G A 211 83.097 29.948 9.726 0.00 0.00 C ATOM 4438 O4* G A 211 81.853 29.684 9.094 0.00 0.00 O ATOM 4439 C3* G A 211 83.415 31.419 9.422 0.00 0.00 C ATOM 4440 O3* G A 211 84.805 31.738 9.509 0.00 0.00 O ATOM 4441 C2* G A 211 82.856 31.514 7.981 0.00 0.00 C ATOM 4442 O2* G A 211 83.783 31.079 6.991 0.00 0.00 O ATOM 4443 C1* G A 211 81.702 30.507 7.962 0.00 0.00 C ATOM 4444 N9 G A 211 80.339 31.110 7.979 0.00 0.00 N ATOM 4445 C8 G A 211 79.373 31.001 7.011 0.00 0.00 C ATOM 4446 N7 G A 211 78.232 31.554 7.317 0.00 0.00 N ATOM 4447 C5 G A 211 78.444 32.095 8.586 0.00 0.00 C ATOM 4448 C6 G A 211 77.564 32.823 9.474 0.00 0.00 C ATOM 4449 O6 G A 211 76.375 33.137 9.352 0.00 0.00 O ATOM 4450 N1 G A 211 78.193 33.215 10.640 0.00 0.00 N ATOM 4451 C2 G A 211 79.475 32.893 10.967 0.00 0.00 C ATOM 4452 N2 G A 211 79.885 33.215 12.174 0.00 0.00 N ATOM 4453 N3 G A 211 80.310 32.228 10.172 0.00 0.00 N ATOM 4454 C4 G A 211 79.744 31.848 8.988 0.00 0.00 C ATOM 4455 P G A 212 85.364 33.043 10.291 0.00 0.00 P ATOM 4456 O1P G A 212 86.801 33.202 9.972 0.00 0.00 O ATOM 4457 O2P G A 212 84.950 32.943 11.709 0.00 0.00 O ATOM 4458 O5* G A 212 84.568 34.298 9.666 0.00 0.00 O ATOM 4459 C5* G A 212 84.508 34.554 8.272 0.00 0.00 C ATOM 4460 C4* G A 212 83.131 35.143 7.921 0.00 0.00 C ATOM 4461 O4* G A 212 82.116 34.513 8.700 0.00 0.00 O ATOM 4462 C3* G A 212 82.970 36.640 8.156 0.00 0.00 C ATOM 4463 O3* G A 212 83.494 37.423 7.098 0.00 0.00 O ATOM 4464 C2* G A 212 81.445 36.728 8.284 0.00 0.00 C ATOM 4465 O2* G A 212 80.744 36.602 7.056 0.00 0.00 O ATOM 4466 C1* G A 212 81.147 35.463 9.080 0.00 0.00 C ATOM 4467 N9 G A 212 81.172 35.745 10.534 0.00 0.00 N ATOM 4468 C8 G A 212 82.115 35.506 11.504 0.00 0.00 C ATOM 4469 N7 G A 212 81.821 36.027 12.672 0.00 0.00 N ATOM 4470 C5 G A 212 80.545 36.579 12.481 0.00 0.00 C ATOM 4471 C6 G A 212 79.630 37.262 13.364 0.00 0.00 C ATOM 4472 O6 G A 212 79.738 37.524 14.561 0.00 0.00 O ATOM 4473 N1 G A 212 78.471 37.683 12.724 0.00 0.00 N ATOM 4474 C2 G A 212 78.201 37.434 11.405 0.00 0.00 C ATOM 4475 N2 G A 212 77.095 37.876 10.866 0.00 0.00 N ATOM 4476 N3 G A 212 79.007 36.793 10.576 0.00 0.00 N ATOM 4477 C4 G A 212 80.159 36.395 11.173 0.00 0.00 C ATOM 4478 P G A 213 83.798 38.988 7.292 0.00 0.00 P ATOM 4479 O1P G A 213 84.498 39.468 6.081 0.00 0.00 O ATOM 4480 O2P G A 213 84.417 39.149 8.630 0.00 0.00 O ATOM 4481 O5* G A 213 82.335 39.668 7.346 0.00 0.00 O ATOM 4482 C5* G A 213 81.529 39.812 6.186 0.00 0.00 C ATOM 4483 C4* G A 213 80.166 40.425 6.540 0.00 0.00 C ATOM 4484 O4* G A 213 79.552 39.646 7.565 0.00 0.00 O ATOM 4485 C3* G A 213 80.228 41.883 7.009 0.00 0.00 C ATOM 4486 O3* G A 213 80.147 42.811 5.930 0.00 0.00 O ATOM 4487 C2* G A 213 79.000 41.934 7.922 0.00 0.00 C ATOM 4488 O2* G A 213 77.774 42.129 7.232 0.00 0.00 O ATOM 4489 C1* G A 213 78.940 40.523 8.499 0.00 0.00 C ATOM 4490 N9 G A 213 79.565 40.466 9.843 0.00 0.00 N ATOM 4491 C8 G A 213 80.767 39.953 10.264 0.00 0.00 C ATOM 4492 N7 G A 213 80.979 40.058 11.555 0.00 0.00 N ATOM 4493 C5 G A 213 79.842 40.739 12.021 0.00 0.00 C ATOM 4494 C6 G A 213 79.472 41.236 13.325 0.00 0.00 C ATOM 4495 O6 G A 213 80.070 41.140 14.398 0.00 0.00 O ATOM 4496 N1 G A 213 78.282 41.954 13.318 0.00 0.00 N ATOM 4497 C2 G A 213 77.506 42.119 12.201 0.00 0.00 C ATOM 4498 N2 G A 213 76.412 42.834 12.279 0.00 0.00 N ATOM 4499 N3 G A 213 77.803 41.653 10.997 0.00 0.00 N ATOM 4500 C4 G A 213 78.988 40.985 10.969 0.00 0.00 C ATOM 4501 P C A 214 80.483 44.375 6.122 0.00 0.00 P ATOM 4502 O1P C A 214 80.243 45.031 4.812 0.00 0.00 O ATOM 4503 O2P C A 214 81.803 44.478 6.771 0.00 0.00 O ATOM 4504 O5* C A 214 79.385 44.936 7.166 0.00 0.00 O ATOM 4505 C5* C A 214 78.097 45.350 6.755 0.00 0.00 C ATOM 4506 C4* C A 214 77.300 45.969 7.917 0.00 0.00 C ATOM 4507 O4* C A 214 77.160 45.120 9.054 0.00 0.00 O ATOM 4508 C3* C A 214 77.924 47.262 8.427 0.00 0.00 C ATOM 4509 O3* C A 214 77.711 48.319 7.502 0.00 0.00 O ATOM 4510 C2* C A 214 77.192 47.386 9.771 0.00 0.00 C ATOM 4511 O2* C A 214 75.837 47.789 9.625 0.00 0.00 O ATOM 4512 C1* C A 214 77.208 45.926 10.240 0.00 0.00 C ATOM 4513 N1 C A 214 78.409 45.596 11.074 0.00 0.00 N ATOM 4514 C2 C A 214 78.400 45.895 12.447 0.00 0.00 C ATOM 4515 O2 C A 214 77.525 46.602 12.943 0.00 0.00 O ATOM 4516 N3 C A 214 79.381 45.413 13.262 0.00 0.00 N ATOM 4517 C4 C A 214 80.346 44.671 12.733 0.00 0.00 C ATOM 4518 N4 C A 214 81.234 44.165 13.559 0.00 0.00 N ATOM 4519 C5 C A 214 80.468 44.441 11.334 0.00 0.00 C ATOM 4520 C6 C A 214 79.481 44.921 10.540 0.00 0.00 C ATOM 4521 P C A 215 78.701 49.570 7.434 0.00 0.00 P ATOM 4522 O1P C A 215 78.196 50.380 6.304 0.00 0.00 O ATOM 4523 O2P C A 215 80.049 49.009 7.304 0.00 0.00 O ATOM 4524 O5* C A 215 78.572 50.339 8.825 0.00 0.00 O ATOM 4525 C5* C A 215 77.367 50.932 9.270 0.00 0.00 C ATOM 4526 C4* C A 215 77.499 51.345 10.744 0.00 0.00 C ATOM 4527 O4* C A 215 77.650 50.251 11.652 0.00 0.00 O ATOM 4528 C3* C A 215 78.690 52.267 10.970 0.00 0.00 C ATOM 4529 O3* C A 215 78.369 53.569 10.509 0.00 0.00 O ATOM 4530 C2* C A 215 78.856 52.106 12.485 0.00 0.00 C ATOM 4531 O2* C A 215 77.859 52.844 13.180 0.00 0.00 O ATOM 4532 C1* C A 215 78.599 50.598 12.666 0.00 0.00 C ATOM 4533 N1 C A 215 79.837 49.752 12.559 0.00 0.00 N ATOM 4534 C2 C A 215 80.710 49.634 13.661 0.00 0.00 C ATOM 4535 O2 C A 215 80.587 50.332 14.671 0.00 0.00 O ATOM 4536 N3 C A 215 81.747 48.747 13.618 0.00 0.00 N ATOM 4537 C4 C A 215 81.927 48.008 12.527 0.00 0.00 C ATOM 4538 N4 C A 215 82.928 47.158 12.523 0.00 0.00 N ATOM 4539 C5 C A 215 81.100 48.118 11.377 0.00 0.00 C ATOM 4540 C6 C A 215 80.081 49.005 11.428 0.00 0.00 C ATOM 4541 P U A 216 79.465 54.522 9.842 0.00 0.00 P ATOM 4542 O1P U A 216 78.823 55.775 9.410 0.00 0.00 O ATOM 4543 O2P U A 216 80.216 53.722 8.843 0.00 0.00 O ATOM 4544 O5* U A 216 80.425 54.830 11.086 0.00 0.00 O ATOM 4545 C5* U A 216 79.954 55.609 12.172 0.00 0.00 C ATOM 4546 C4* U A 216 80.972 55.649 13.315 0.00 0.00 C ATOM 4547 O4* U A 216 81.116 54.369 13.933 0.00 0.00 O ATOM 4548 C3* U A 216 82.378 56.077 12.895 0.00 0.00 C ATOM 4549 O3* U A 216 82.496 57.476 12.672 0.00 0.00 O ATOM 4550 C2* U A 216 83.161 55.548 14.105 0.00 0.00 C ATOM 4551 O2* U A 216 82.993 56.356 15.265 0.00 0.00 O ATOM 4552 C1* U A 216 82.460 54.214 14.390 0.00 0.00 C ATOM 4553 N1 U A 216 83.136 53.041 13.749 0.00 0.00 N ATOM 4554 C2 U A 216 84.168 52.387 14.446 0.00 0.00 C ATOM 4555 O2 U A 216 84.679 52.816 15.482 0.00 0.00 O ATOM 4556 N3 U A 216 84.653 51.209 13.893 0.00 0.00 N ATOM 4557 C4 U A 216 84.329 50.722 12.645 0.00 0.00 C ATOM 4558 O4 U A 216 84.936 49.760 12.182 0.00 0.00 O ATOM 4559 C5 U A 216 83.288 51.460 11.968 0.00 0.00 C ATOM 4560 C6 U A 216 82.726 52.565 12.520 0.00 0.00 C ATOM 4561 P C A 217 83.745 58.098 11.887 0.00 0.00 P ATOM 4562 O1P C A 217 83.456 59.518 11.608 0.00 0.00 O ATOM 4563 O2P C A 217 83.978 57.264 10.687 0.00 0.00 O ATOM 4564 O5* C A 217 85.019 57.987 12.842 0.00 0.00 O ATOM 4565 C5* C A 217 85.146 58.730 14.037 0.00 0.00 C ATOM 4566 C4* C A 217 86.345 58.216 14.853 0.00 0.00 C ATOM 4567 O4* C A 217 86.182 56.848 15.241 0.00 0.00 O ATOM 4568 C3* C A 217 87.670 58.276 14.096 0.00 0.00 C ATOM 4569 O3* C A 217 88.256 59.564 14.034 0.00 0.00 O ATOM 4570 C2* C A 217 88.494 57.264 14.898 0.00 0.00 C ATOM 4571 O2* C A 217 88.960 57.734 16.162 0.00 0.00 O ATOM 4572 C1* C A 217 87.448 56.182 15.164 0.00 0.00 C ATOM 4573 N1 C A 217 87.476 55.126 14.106 0.00 0.00 N ATOM 4574 C2 C A 217 88.404 54.079 14.213 0.00 0.00 C ATOM 4575 O2 C A 217 89.312 54.091 15.050 0.00 0.00 O ATOM 4576 N3 C A 217 88.315 53.012 13.374 0.00 0.00 N ATOM 4577 C4 C A 217 87.375 52.995 12.436 0.00 0.00 C ATOM 4578 N4 C A 217 87.345 51.950 11.647 0.00 0.00 N ATOM 4579 C5 C A 217 86.461 54.066 12.237 0.00 0.00 C ATOM 4580 C6 C A 217 86.569 55.124 13.072 0.00 0.00 C ATOM 4581 P U A 218 89.258 59.943 12.840 0.00 0.00 P ATOM 4582 O1P U A 218 89.729 61.327 13.077 0.00 0.00 O ATOM 4583 O2P U A 218 88.609 59.620 11.556 0.00 0.00 O ATOM 4584 O5* U A 218 90.498 58.941 13.028 0.00 0.00 O ATOM 4585 C5* U A 218 91.452 59.155 14.048 0.00 0.00 C ATOM 4586 C4* U A 218 92.494 58.035 14.076 0.00 0.00 C ATOM 4587 O4* U A 218 91.890 56.764 14.317 0.00 0.00 O ATOM 4588 C3* U A 218 93.299 57.869 12.787 0.00 0.00 C ATOM 4589 O3* U A 218 94.258 58.891 12.543 0.00 0.00 O ATOM 4590 C2* U A 218 93.895 56.489 13.088 0.00 0.00 C ATOM 4591 O2* U A 218 94.897 56.499 14.100 0.00 0.00 O ATOM 4592 C1* U A 218 92.685 55.762 13.682 0.00 0.00 C ATOM 4593 N1 U A 218 91.952 54.987 12.637 0.00 0.00 N ATOM 4594 C2 U A 218 92.518 53.775 12.227 0.00 0.00 C ATOM 4595 O2 U A 218 93.610 53.370 12.620 0.00 0.00 O ATOM 4596 N3 U A 218 91.794 53.024 11.323 0.00 0.00 N ATOM 4597 C4 U A 218 90.587 53.367 10.756 0.00 0.00 C ATOM 4598 O4 U A 218 90.049 52.607 9.955 0.00 0.00 O ATOM 4599 C5 U A 218 90.088 54.662 11.181 0.00 0.00 C ATOM 4600 C6 U A 218 90.763 55.422 12.087 0.00 0.00 C ATOM 4601 P U A 219 94.932 59.085 11.089 0.00 0.00 P ATOM 4602 O1P U A 219 95.777 60.299 11.098 0.00 0.00 O ATOM 4603 O2P U A 219 93.863 58.960 10.069 0.00 0.00 O ATOM 4604 O5* U A 219 95.886 57.810 10.915 0.00 0.00 O ATOM 4605 C5* U A 219 97.007 57.585 11.749 0.00 0.00 C ATOM 4606 C4* U A 219 97.603 56.202 11.456 0.00 0.00 C ATOM 4607 O4* U A 219 96.629 55.168 11.609 0.00 0.00 O ATOM 4608 C3* U A 219 98.171 56.091 10.038 0.00 0.00 C ATOM 4609 O3* U A 219 99.465 56.695 9.924 0.00 0.00 O ATOM 4610 C2* U A 219 98.148 54.559 9.897 0.00 0.00 C ATOM 4611 O2* U A 219 99.225 53.953 10.606 0.00 0.00 O ATOM 4612 C1* U A 219 96.838 54.173 10.607 0.00 0.00 C ATOM 4613 N1 U A 219 95.648 54.032 9.699 0.00 0.00 N ATOM 4614 C2 U A 219 95.468 52.816 9.023 0.00 0.00 C ATOM 4615 O2 U A 219 96.341 51.955 8.947 0.00 0.00 O ATOM 4616 N3 U A 219 94.240 52.597 8.414 0.00 0.00 N ATOM 4617 C4 U A 219 93.204 53.503 8.353 0.00 0.00 C ATOM 4618 O4 U A 219 92.160 53.206 7.787 0.00 0.00 O ATOM 4619 C5 U A 219 93.482 54.765 9.003 0.00 0.00 C ATOM 4620 C6 U A 219 94.661 54.995 9.640 0.00 0.00 C ATOM 4621 P G A 220 100.101 57.171 8.510 0.00 0.00 P ATOM 4622 O1P G A 220 101.558 56.867 8.524 0.00 0.00 O ATOM 4623 O2P G A 220 99.691 58.571 8.230 0.00 0.00 O ATOM 4624 O5* G A 220 99.400 56.251 7.382 0.00 0.00 O ATOM 4625 C5* G A 220 100.120 55.179 6.807 0.00 0.00 C ATOM 4626 C4* G A 220 99.310 54.118 6.060 0.00 0.00 C ATOM 4627 O4* G A 220 98.062 53.772 6.658 0.00 0.00 O ATOM 4628 C3* G A 220 98.948 54.320 4.582 0.00 0.00 C ATOM 4629 O3* G A 220 100.043 54.436 3.666 0.00 0.00 O ATOM 4630 C2* G A 220 98.160 53.003 4.442 0.00 0.00 C ATOM 4631 O2* G A 220 99.042 51.886 4.523 0.00 0.00 O ATOM 4632 C1* G A 220 97.329 52.986 5.726 0.00 0.00 C ATOM 4633 N9 G A 220 95.956 53.511 5.512 0.00 0.00 N ATOM 4634 C8 G A 220 95.382 54.672 5.968 0.00 0.00 C ATOM 4635 N7 G A 220 94.133 54.830 5.614 0.00 0.00 N ATOM 4636 C5 G A 220 93.841 53.681 4.870 0.00 0.00 C ATOM 4637 C6 G A 220 92.642 53.243 4.194 0.00 0.00 C ATOM 4638 O6 G A 220 91.535 53.781 4.090 0.00 0.00 O ATOM 4639 N1 G A 220 92.806 52.032 3.542 0.00 0.00 N ATOM 4640 C2 G A 220 93.962 51.307 3.538 0.00 0.00 C ATOM 4641 N2 G A 220 93.968 50.133 2.937 0.00 0.00 N ATOM 4642 N3 G A 220 95.083 51.680 4.156 0.00 0.00 N ATOM 4643 C4 G A 220 94.963 52.879 4.800 0.00 0.00 C ATOM 4644 P C A 221 99.808 54.850 2.111 0.00 0.00 P ATOM 4645 O1P C A 221 101.097 54.799 1.359 0.00 0.00 O ATOM 4646 O2P C A 221 99.009 56.095 2.080 0.00 0.00 O ATOM 4647 O5* C A 221 98.886 53.674 1.537 0.00 0.00 O ATOM 4648 C5* C A 221 99.399 52.376 1.292 0.00 0.00 C ATOM 4649 C4* C A 221 98.397 51.536 0.494 0.00 0.00 C ATOM 4650 O4* C A 221 97.148 51.283 1.140 0.00 0.00 O ATOM 4651 C3* C A 221 98.075 52.198 -0.831 0.00 0.00 C ATOM 4652 O3* C A 221 99.168 52.018 -1.709 0.00 0.00 O ATOM 4653 C2* C A 221 96.801 51.435 -1.190 0.00 0.00 C ATOM 4654 O2* C A 221 97.109 50.103 -1.569 0.00 0.00 O ATOM 4655 C1* C A 221 96.095 51.398 0.172 0.00 0.00 C ATOM 4656 N1 C A 221 95.240 52.609 0.433 0.00 0.00 N ATOM 4657 C2 C A 221 93.996 52.743 -0.212 0.00 0.00 C ATOM 4658 O2 C A 221 93.640 51.941 -1.078 0.00 0.00 O ATOM 4659 N3 C A 221 93.153 53.768 0.115 0.00 0.00 N ATOM 4660 C4 C A 221 93.515 54.617 1.074 0.00 0.00 C ATOM 4661 N4 C A 221 92.670 55.567 1.420 0.00 0.00 N ATOM 4662 C5 C A 221 94.774 54.542 1.733 0.00 0.00 C ATOM 4663 C6 C A 221 95.608 53.538 1.377 0.00 0.00 C ATOM 4664 P C A 222 99.421 53.020 -2.912 0.00 0.00 P ATOM 4665 O1P C A 222 100.640 52.584 -3.614 0.00 0.00 O ATOM 4666 O2P C A 222 99.355 54.396 -2.362 0.00 0.00 O ATOM 4667 O5* C A 222 98.137 52.772 -3.824 0.00 0.00 O ATOM 4668 C5* C A 222 97.928 51.562 -4.529 0.00 0.00 C ATOM 4669 C4* C A 222 96.644 51.674 -5.353 0.00 0.00 C ATOM 4670 O4* C A 222 95.460 51.825 -4.564 0.00 0.00 O ATOM 4671 C3* C A 222 96.700 52.866 -6.297 0.00 0.00 C ATOM 4672 O3* C A 222 97.513 52.567 -7.421 0.00 0.00 O ATOM 4673 C2* C A 222 95.209 53.007 -6.590 0.00 0.00 C ATOM 4674 O2* C A 222 94.789 51.984 -7.481 0.00 0.00 O ATOM 4675 C1* C A 222 94.578 52.744 -5.211 0.00 0.00 C ATOM 4676 N1 C A 222 94.366 53.971 -4.366 0.00 0.00 N ATOM 4677 C2 C A 222 93.180 54.711 -4.515 0.00 0.00 C ATOM 4678 O2 C A 222 92.356 54.422 -5.380 0.00 0.00 O ATOM 4679 N3 C A 222 92.902 55.763 -3.689 0.00 0.00 N ATOM 4680 C4 C A 222 93.774 56.072 -2.738 0.00 0.00 C ATOM 4681 N4 C A 222 93.484 57.096 -1.962 0.00 0.00 N ATOM 4682 C5 C A 222 94.976 55.338 -2.517 0.00 0.00 C ATOM 4683 C6 C A 222 95.239 54.306 -3.355 0.00 0.00 C ATOM 4684 P A A 223 98.391 53.702 -8.137 0.00 0.00 P ATOM 4685 O1P A A 223 99.244 53.067 -9.163 0.00 0.00 O ATOM 4686 O2P A A 223 98.982 54.562 -7.091 0.00 0.00 O ATOM 4687 O5* A A 223 97.235 54.529 -8.869 0.00 0.00 O ATOM 4688 C5* A A 223 96.583 53.997 -10.004 0.00 0.00 C ATOM 4689 C4* A A 223 95.387 54.868 -10.375 0.00 0.00 C ATOM 4690 O4* A A 223 94.437 54.923 -9.312 0.00 0.00 O ATOM 4691 C3* A A 223 95.748 56.322 -10.673 0.00 0.00 C ATOM 4692 O3* A A 223 96.370 56.522 -11.930 0.00 0.00 O ATOM 4693 C2* A A 223 94.351 56.936 -10.545 0.00 0.00 C ATOM 4694 O2* A A 223 93.449 56.534 -11.563 0.00 0.00 O ATOM 4695 C1* A A 223 93.868 56.228 -9.282 0.00 0.00 C ATOM 4696 N9 A A 223 94.234 56.957 -8.047 0.00 0.00 N ATOM 4697 C8 A A 223 95.131 56.619 -7.065 0.00 0.00 C ATOM 4698 N7 A A 223 94.939 57.242 -5.932 0.00 0.00 N ATOM 4699 C5 A A 223 93.886 58.120 -6.222 0.00 0.00 C ATOM 4700 C6 A A 223 93.144 59.081 -5.491 0.00 0.00 C ATOM 4701 N6 A A 223 93.290 59.319 -4.201 0.00 0.00 N ATOM 4702 N1 A A 223 92.202 59.827 -6.089 0.00 0.00 N ATOM 4703 C2 A A 223 92.010 59.642 -7.389 0.00 0.00 C ATOM 4704 N3 A A 223 92.606 58.772 -8.189 0.00 0.00 N ATOM 4705 C4 A A 223 93.527 58.016 -7.537 0.00 0.00 C ATOM 4706 P U A 224 97.357 57.773 -12.165 0.00 0.00 P ATOM 4707 O1P U A 224 97.951 57.664 -13.514 0.00 0.00 O ATOM 4708 O2P U A 224 98.224 57.933 -10.979 0.00 0.00 O ATOM 4709 O5* U A 224 96.313 58.988 -12.159 0.00 0.00 O ATOM 4710 C5* U A 224 95.457 59.215 -13.257 0.00 0.00 C ATOM 4711 C4* U A 224 94.525 60.392 -12.957 0.00 0.00 C ATOM 4712 O4* U A 224 93.705 60.124 -11.828 0.00 0.00 O ATOM 4713 C3* U A 224 95.269 61.696 -12.669 0.00 0.00 C ATOM 4714 O3* U A 224 95.775 62.306 -13.847 0.00 0.00 O ATOM 4715 C2* U A 224 94.149 62.463 -11.953 0.00 0.00 C ATOM 4716 O2* U A 224 93.152 63.005 -12.805 0.00 0.00 O ATOM 4717 C1* U A 224 93.486 61.350 -11.140 0.00 0.00 C ATOM 4718 N1 U A 224 94.012 61.365 -9.749 0.00 0.00 N ATOM 4719 C2 U A 224 93.425 62.281 -8.872 0.00 0.00 C ATOM 4720 O2 U A 224 92.547 63.078 -9.209 0.00 0.00 O ATOM 4721 N3 U A 224 93.888 62.274 -7.574 0.00 0.00 N ATOM 4722 C4 U A 224 94.886 61.475 -7.067 0.00 0.00 C ATOM 4723 O4 U A 224 95.191 61.573 -5.883 0.00 0.00 O ATOM 4724 C5 U A 224 95.488 60.591 -8.047 0.00 0.00 C ATOM 4725 C6 U A 224 95.053 60.561 -9.336 0.00 0.00 C ATOM 4726 P C A 225 96.938 63.420 -13.814 0.00 0.00 P ATOM 4727 O1P C A 225 97.337 63.738 -15.200 0.00 0.00 O ATOM 4728 O2P C A 225 97.960 63.021 -12.815 0.00 0.00 O ATOM 4729 O5* C A 225 96.143 64.678 -13.227 0.00 0.00 O ATOM 4730 C5* C A 225 95.135 65.358 -13.945 0.00 0.00 C ATOM 4731 C4* C A 225 94.474 66.408 -13.037 0.00 0.00 C ATOM 4732 O4* C A 225 93.803 65.845 -11.895 0.00 0.00 O ATOM 4733 C3* C A 225 95.481 67.416 -12.491 0.00 0.00 C ATOM 4734 O3* C A 225 95.860 68.401 -13.433 0.00 0.00 O ATOM 4735 C2* C A 225 94.685 67.959 -11.304 0.00 0.00 C ATOM 4736 O2* C A 225 93.588 68.792 -11.665 0.00 0.00 O ATOM 4737 C1* C A 225 94.061 66.680 -10.755 0.00 0.00 C ATOM 4738 N1 C A 225 94.925 66.031 -9.718 0.00 0.00 N ATOM 4739 C2 C A 225 94.807 66.454 -8.385 0.00 0.00 C ATOM 4740 O2 C A 225 94.118 67.430 -8.071 0.00 0.00 O ATOM 4741 N3 C A 225 95.463 65.785 -7.403 0.00 0.00 N ATOM 4742 C4 C A 225 96.227 64.742 -7.712 0.00 0.00 C ATOM 4743 N4 C A 225 96.824 64.115 -6.725 0.00 0.00 N ATOM 4744 C5 C A 225 96.403 64.292 -9.053 0.00 0.00 C ATOM 4745 C6 C A 225 95.768 64.988 -10.025 0.00 0.00 C ATOM 4746 P G A 226 97.295 69.124 -13.321 0.00 0.00 P ATOM 4747 O1P G A 226 97.376 70.138 -14.393 0.00 0.00 O ATOM 4748 O2P G A 226 98.332 68.073 -13.218 0.00 0.00 O ATOM 4749 O5* G A 226 97.192 69.873 -11.895 0.00 0.00 O ATOM 4750 C5* G A 226 96.437 71.063 -11.749 0.00 0.00 C ATOM 4751 C4* G A 226 96.382 71.530 -10.290 0.00 0.00 C ATOM 4752 O4* G A 226 95.785 70.555 -9.437 0.00 0.00 O ATOM 4753 C3* G A 226 97.742 71.844 -9.678 0.00 0.00 C ATOM 4754 O3* G A 226 98.307 73.057 -10.139 0.00 0.00 O ATOM 4755 C2* G A 226 97.342 71.854 -8.200 0.00 0.00 C ATOM 4756 O2* G A 226 96.581 72.980 -7.783 0.00 0.00 O ATOM 4757 C1* G A 226 96.386 70.666 -8.150 0.00 0.00 C ATOM 4758 N9 G A 226 97.134 69.450 -7.760 0.00 0.00 N ATOM 4759 C8 G A 226 97.578 68.398 -8.516 0.00 0.00 C ATOM 4760 N7 G A 226 98.234 67.493 -7.837 0.00 0.00 N ATOM 4761 C5 G A 226 98.257 68.001 -6.531 0.00 0.00 C ATOM 4762 C6 G A 226 98.846 67.514 -5.309 0.00 0.00 C ATOM 4763 O6 G A 226 99.448 66.468 -5.102 0.00 0.00 O ATOM 4764 N1 G A 226 98.706 68.384 -4.232 0.00 0.00 N ATOM 4765 C2 G A 226 98.021 69.572 -4.326 0.00 0.00 C ATOM 4766 N2 G A 226 97.836 70.331 -3.274 0.00 0.00 N ATOM 4767 N3 G A 226 97.439 70.031 -5.424 0.00 0.00 N ATOM 4768 C4 G A 226 97.601 69.208 -6.495 0.00 0.00 C ATOM 4769 P G A 227 99.876 73.362 -9.954 0.00 0.00 P ATOM 4770 O1P G A 227 100.180 74.642 -10.626 0.00 0.00 O ATOM 4771 O2P G A 227 100.636 72.139 -10.289 0.00 0.00 O ATOM 4772 O5* G A 227 99.985 73.580 -8.374 0.00 0.00 O ATOM 4773 C5* G A 227 99.424 74.722 -7.769 0.00 0.00 C ATOM 4774 C4* G A 227 99.573 74.606 -6.258 0.00 0.00 C ATOM 4775 O4* G A 227 99.092 73.360 -5.749 0.00 0.00 O ATOM 4776 C3* G A 227 101.026 74.752 -5.817 0.00 0.00 C ATOM 4777 O3* G A 227 101.418 76.114 -5.784 0.00 0.00 O ATOM 4778 C2* G A 227 100.883 74.154 -4.423 0.00 0.00 C ATOM 4779 O2* G A 227 100.270 75.138 -3.598 0.00 0.00 O ATOM 4780 C1* G A 227 99.934 72.973 -4.666 0.00 0.00 C ATOM 4781 N9 G A 227 100.673 71.705 -4.941 0.00 0.00 N ATOM 4782 C8 G A 227 100.778 70.977 -6.101 0.00 0.00 C ATOM 4783 N7 G A 227 101.305 69.789 -5.943 0.00 0.00 N ATOM 4784 C5 G A 227 101.611 69.723 -4.580 0.00 0.00 C ATOM 4785 C6 G A 227 102.176 68.680 -3.751 0.00 0.00 C ATOM 4786 O6 G A 227 102.570 67.549 -4.028 0.00 0.00 O ATOM 4787 N1 G A 227 102.274 69.037 -2.417 0.00 0.00 N ATOM 4788 C2 G A 227 101.992 70.281 -1.945 0.00 0.00 C ATOM 4789 N2 G A 227 102.249 70.522 -0.676 0.00 0.00 N ATOM 4790 N3 G A 227 101.473 71.259 -2.679 0.00 0.00 N ATOM 4791 C4 G A 227 101.278 70.920 -3.984 0.00 0.00 C ATOM 4792 P A A 228 102.955 76.541 -5.673 0.00 0.00 P ATOM 4793 O1P A A 228 102.994 77.973 -5.304 0.00 0.00 O ATOM 4794 O2P A A 228 103.620 76.069 -6.902 0.00 0.00 O ATOM 4795 O5* A A 228 103.545 75.680 -4.445 0.00 0.00 O ATOM 4796 C5* A A 228 103.448 76.100 -3.096 0.00 0.00 C ATOM 4797 C4* A A 228 104.147 75.080 -2.188 0.00 0.00 C ATOM 4798 O4* A A 228 103.575 73.782 -2.298 0.00 0.00 O ATOM 4799 C3* A A 228 105.614 74.889 -2.536 0.00 0.00 C ATOM 4800 O3* A A 228 106.416 75.977 -2.112 0.00 0.00 O ATOM 4801 C2* A A 228 105.882 73.545 -1.848 0.00 0.00 C ATOM 4802 O2* A A 228 105.971 73.623 -0.431 0.00 0.00 O ATOM 4803 C1* A A 228 104.592 72.800 -2.179 0.00 0.00 C ATOM 4804 N9 A A 228 104.696 72.034 -3.444 0.00 0.00 N ATOM 4805 C8 A A 228 104.374 72.414 -4.726 0.00 0.00 C ATOM 4806 N7 A A 228 104.525 71.470 -5.616 0.00 0.00 N ATOM 4807 C5 A A 228 104.993 70.386 -4.870 0.00 0.00 C ATOM 4808 C6 A A 228 105.373 69.054 -5.172 0.00 0.00 C ATOM 4809 N6 A A 228 105.382 68.516 -6.381 0.00 0.00 N ATOM 4810 N1 A A 228 105.817 68.241 -4.210 0.00 0.00 N ATOM 4811 C2 A A 228 105.868 68.712 -2.971 0.00 0.00 C ATOM 4812 N3 A A 228 105.541 69.928 -2.534 0.00 0.00 N ATOM 4813 C4 A A 228 105.109 70.728 -3.548 0.00 0.00 C ATOM 4814 P U A 229 107.771 76.339 -2.896 0.00 0.00 P ATOM 4815 O1P U A 229 108.315 77.608 -2.375 0.00 0.00 O ATOM 4816 O2P U A 229 107.542 76.154 -4.342 0.00 0.00 O ATOM 4817 O5* U A 229 108.709 75.148 -2.418 0.00 0.00 O ATOM 4818 C5* U A 229 109.104 74.982 -1.080 0.00 0.00 C ATOM 4819 C4* U A 229 109.734 73.600 -0.937 0.00 0.00 C ATOM 4820 O4* U A 229 108.813 72.539 -1.220 0.00 0.00 O ATOM 4821 C3* U A 229 110.935 73.376 -1.860 0.00 0.00 C ATOM 4822 O3* U A 229 112.122 74.030 -1.437 0.00 0.00 O ATOM 4823 C2* U A 229 110.988 71.854 -1.734 0.00 0.00 C ATOM 4824 O2* U A 229 111.356 71.495 -0.405 0.00 0.00 O ATOM 4825 C1* U A 229 109.512 71.487 -1.887 0.00 0.00 C ATOM 4826 N1 U A 229 109.082 71.314 -3.315 0.00 0.00 N ATOM 4827 C2 U A 229 109.238 70.048 -3.894 0.00 0.00 C ATOM 4828 O2 U A 229 109.737 69.098 -3.296 0.00 0.00 O ATOM 4829 N3 U A 229 108.793 69.889 -5.194 0.00 0.00 N ATOM 4830 C4 U A 229 108.164 70.847 -5.958 0.00 0.00 C ATOM 4831 O4 U A 229 107.777 70.566 -7.089 0.00 0.00 O ATOM 4832 C5 U A 229 108.016 72.122 -5.294 0.00 0.00 C ATOM 4833 C6 U A 229 108.482 72.328 -4.036 0.00 0.00 C ATOM 4834 P G A 230 113.307 74.347 -2.479 0.00 0.00 P ATOM 4835 O1P G A 230 114.418 74.992 -1.745 0.00 0.00 O ATOM 4836 O2P G A 230 112.713 75.001 -3.661 0.00 0.00 O ATOM 4837 O5* G A 230 113.779 72.886 -2.934 0.00 0.00 O ATOM 4838 C5* G A 230 114.582 72.070 -2.105 0.00 0.00 C ATOM 4839 C4* G A 230 114.797 70.723 -2.792 0.00 0.00 C ATOM 4840 O4* G A 230 113.537 70.085 -3.010 0.00 0.00 O ATOM 4841 C3* G A 230 115.466 70.825 -4.162 0.00 0.00 C ATOM 4842 O3* G A 230 116.878 70.967 -4.130 0.00 0.00 O ATOM 4843 C2* G A 230 114.970 69.515 -4.779 0.00 0.00 C ATOM 4844 O2* G A 230 115.567 68.312 -4.301 0.00 0.00 O ATOM 4845 C1* G A 230 113.535 69.473 -4.287 0.00 0.00 C ATOM 4846 N9 G A 230 112.653 70.088 -5.300 0.00 0.00 N ATOM 4847 C8 G A 230 112.092 71.334 -5.414 0.00 0.00 C ATOM 4848 N7 G A 230 111.400 71.496 -6.513 0.00 0.00 N ATOM 4849 C5 G A 230 111.539 70.283 -7.200 0.00 0.00 C ATOM 4850 C6 G A 230 111.079 69.816 -8.487 0.00 0.00 C ATOM 4851 O6 G A 230 110.373 70.363 -9.335 0.00 0.00 O ATOM 4852 N1 G A 230 111.544 68.545 -8.796 0.00 0.00 N ATOM 4853 C2 G A 230 112.296 67.781 -7.949 0.00 0.00 C ATOM 4854 N2 G A 230 112.690 66.591 -8.330 0.00 0.00 N ATOM 4855 N3 G A 230 112.718 68.169 -6.758 0.00 0.00 N ATOM 4856 C4 G A 230 112.311 69.429 -6.446 0.00 0.00 C ATOM 4857 P U A 231 117.663 71.736 -5.316 0.00 0.00 P ATOM 4858 O1P U A 231 119.092 71.816 -4.949 0.00 0.00 O ATOM 4859 O2P U A 231 116.917 72.960 -5.666 0.00 0.00 O ATOM 4860 O5* U A 231 117.516 70.707 -6.537 0.00 0.00 O ATOM 4861 C5* U A 231 118.232 69.489 -6.537 0.00 0.00 C ATOM 4862 C4* U A 231 117.616 68.499 -7.530 0.00 0.00 C ATOM 4863 O4* U A 231 116.190 68.568 -7.504 0.00 0.00 O ATOM 4864 C3* U A 231 118.041 68.676 -8.982 0.00 0.00 C ATOM 4865 O3* U A 231 119.279 68.030 -9.256 0.00 0.00 O ATOM 4866 C2* U A 231 116.857 67.970 -9.649 0.00 0.00 C ATOM 4867 O2* U A 231 116.967 66.561 -9.588 0.00 0.00 O ATOM 4868 C1* U A 231 115.654 68.311 -8.797 0.00 0.00 C ATOM 4869 N1 U A 231 114.854 69.410 -9.418 0.00 0.00 N ATOM 4870 C2 U A 231 114.229 69.138 -10.645 0.00 0.00 C ATOM 4871 O2 U A 231 114.293 68.055 -11.220 0.00 0.00 O ATOM 4872 N3 U A 231 113.503 70.157 -11.220 0.00 0.00 N ATOM 4873 C4 U A 231 113.264 71.394 -10.675 0.00 0.00 C ATOM 4874 O4 U A 231 112.583 72.204 -11.298 0.00 0.00 O ATOM 4875 C5 U A 231 113.894 71.593 -9.382 0.00 0.00 C ATOM 4876 C6 U A 231 114.668 70.632 -8.805 0.00 0.00 C ATOM 4877 P G A 232 119.958 68.090 -10.715 0.00 0.00 P ATOM 4878 O1P G A 232 121.169 67.243 -10.678 0.00 0.00 O ATOM 4879 O2P G A 232 120.035 69.502 -11.135 0.00 0.00 O ATOM 4880 O5* G A 232 118.812 67.397 -11.614 0.00 0.00 O ATOM 4881 C5* G A 232 118.892 66.119 -12.212 0.00 0.00 C ATOM 4882 C4* G A 232 118.547 66.291 -13.691 0.00 0.00 C ATOM 4883 O4* G A 232 117.226 66.821 -13.845 0.00 0.00 O ATOM 4884 C3* G A 232 119.494 67.231 -14.449 0.00 0.00 C ATOM 4885 O3* G A 232 120.712 66.582 -14.835 0.00 0.00 O ATOM 4886 C2* G A 232 118.564 67.529 -15.627 0.00 0.00 C ATOM 4887 O2* G A 232 118.637 66.466 -16.544 0.00 0.00 O ATOM 4888 C1* G A 232 117.131 67.461 -15.112 0.00 0.00 C ATOM 4889 N9 G A 232 116.474 68.793 -15.053 0.00 0.00 N ATOM 4890 C8 G A 232 116.408 69.650 -13.986 0.00 0.00 C ATOM 4891 N7 G A 232 115.774 70.764 -14.227 0.00 0.00 N ATOM 4892 C5 G A 232 115.367 70.642 -15.558 0.00 0.00 C ATOM 4893 C6 G A 232 114.629 71.542 -16.408 0.00 0.00 C ATOM 4894 O6 G A 232 114.156 72.652 -16.167 0.00 0.00 O ATOM 4895 N1 G A 232 114.448 71.059 -17.691 0.00 0.00 N ATOM 4896 C2 G A 232 114.930 69.858 -18.129 0.00 0.00 C ATOM 4897 N2 G A 232 114.806 69.589 -19.416 0.00 0.00 N ATOM 4898 N3 G A 232 115.610 68.994 -17.364 0.00 0.00 N ATOM 4899 C4 G A 232 115.798 69.437 -16.078 0.00 0.00 C ATOM 4900 P C A 233 121.922 67.317 -15.633 0.00 0.00 P ATOM 4901 O1P C A 233 122.812 66.263 -16.171 0.00 0.00 O ATOM 4902 O2P C A 233 122.508 68.374 -14.781 0.00 0.00 O ATOM 4903 O5* C A 233 121.236 68.061 -16.895 0.00 0.00 O ATOM 4904 C5* C A 233 121.215 67.472 -18.182 0.00 0.00 C ATOM 4905 C4* C A 233 120.290 68.211 -19.160 0.00 0.00 C ATOM 4906 O4* C A 233 118.997 68.509 -18.624 0.00 0.00 O ATOM 4907 C3* C A 233 120.816 69.547 -19.688 0.00 0.00 C ATOM 4908 O3* C A 233 121.904 69.417 -20.588 0.00 0.00 O ATOM 4909 C2* C A 233 119.512 70.046 -20.328 0.00 0.00 C ATOM 4910 O2* C A 233 119.171 69.271 -21.473 0.00 0.00 O ATOM 4911 C1* C A 233 118.519 69.733 -19.205 0.00 0.00 C ATOM 4912 N1 C A 233 118.441 70.849 -18.201 0.00 0.00 N ATOM 4913 C2 C A 233 117.587 71.947 -18.426 0.00 0.00 C ATOM 4914 O2 C A 233 117.016 72.127 -19.509 0.00 0.00 O ATOM 4915 N3 C A 233 117.372 72.852 -17.431 0.00 0.00 N ATOM 4916 C4 C A 233 117.949 72.674 -16.245 0.00 0.00 C ATOM 4917 N4 C A 233 117.723 73.548 -15.294 0.00 0.00 N ATOM 4918 C5 C A 233 118.881 71.630 -16.000 0.00 0.00 C ATOM 4919 C6 C A 233 119.128 70.770 -17.013 0.00 0.00 C ATOM 4920 P C A 234 122.912 70.639 -20.854 0.00 0.00 P ATOM 4921 O1P C A 234 123.987 70.160 -21.752 0.00 0.00 O ATOM 4922 O2P C A 234 123.275 71.235 -19.546 0.00 0.00 O ATOM 4923 O5* C A 234 122.037 71.720 -21.665 0.00 0.00 O ATOM 4924 C5* C A 234 121.497 71.475 -22.955 0.00 0.00 C ATOM 4925 C4* C A 234 120.623 72.652 -23.426 0.00 0.00 C ATOM 4926 O4* C A 234 119.474 72.832 -22.613 0.00 0.00 O ATOM 4927 C3* C A 234 121.329 74.000 -23.432 0.00 0.00 C ATOM 4928 O3* C A 234 122.181 74.110 -24.555 0.00 0.00 O ATOM 4929 C2* C A 234 120.116 74.942 -23.430 0.00 0.00 C ATOM 4930 O2* C A 234 119.434 74.972 -24.682 0.00 0.00 O ATOM 4931 C1* C A 234 119.219 74.224 -22.418 0.00 0.00 C ATOM 4932 N1 C A 234 119.471 74.607 -20.988 0.00 0.00 N ATOM 4933 C2 C A 234 118.952 75.815 -20.502 0.00 0.00 C ATOM 4934 O2 C A 234 118.410 76.619 -21.255 0.00 0.00 O ATOM 4935 N3 C A 234 119.035 76.117 -19.175 0.00 0.00 N ATOM 4936 C4 C A 234 119.587 75.238 -18.345 0.00 0.00 C ATOM 4937 N4 C A 234 119.621 75.529 -17.066 0.00 0.00 N ATOM 4938 C5 C A 234 120.153 74.011 -18.789 0.00 0.00 C ATOM 4939 C6 C A 234 120.088 73.742 -20.113 0.00 0.00 C ATOM 4940 P C A 235 123.502 75.016 -24.505 0.00 0.00 P ATOM 4941 O1P C A 235 124.222 74.807 -25.776 0.00 0.00 O ATOM 4942 O2P C A 235 124.183 74.784 -23.211 0.00 0.00 O ATOM 4943 O5* C A 235 122.881 76.494 -24.504 0.00 0.00 O ATOM 4944 C5* C A 235 122.153 76.993 -25.609 0.00 0.00 C ATOM 4945 C4* C A 235 121.504 78.346 -25.288 0.00 0.00 C ATOM 4946 O4* C A 235 120.563 78.236 -24.224 0.00 0.00 O ATOM 4947 C3* C A 235 122.512 79.421 -24.896 0.00 0.00 C ATOM 4948 O3* C A 235 123.093 80.003 -26.056 0.00 0.00 O ATOM 4949 C2* C A 235 121.617 80.357 -24.076 0.00 0.00 C ATOM 4950 O2* C A 235 120.818 81.225 -24.869 0.00 0.00 O ATOM 4951 C1* C A 235 120.668 79.381 -23.378 0.00 0.00 C ATOM 4952 N1 C A 235 121.158 79.043 -22.008 0.00 0.00 N ATOM 4953 C2 C A 235 120.988 79.980 -20.972 0.00 0.00 C ATOM 4954 O2 C A 235 120.530 81.111 -21.175 0.00 0.00 O ATOM 4955 N3 C A 235 121.330 79.642 -19.698 0.00 0.00 N ATOM 4956 C4 C A 235 121.824 78.434 -19.454 0.00 0.00 C ATOM 4957 N4 C A 235 122.116 78.159 -18.205 0.00 0.00 N ATOM 4958 C5 C A 235 122.058 77.466 -20.472 0.00 0.00 C ATOM 4959 C6 C A 235 121.734 77.822 -21.737 0.00 0.00 C ATOM 4960 P A A 236 124.529 80.730 -26.021 0.00 0.00 P ATOM 4961 O1P A A 236 124.916 80.946 -27.431 0.00 0.00 O ATOM 4962 O2P A A 236 125.408 79.955 -25.120 0.00 0.00 O ATOM 4963 O5* A A 236 124.232 82.168 -25.346 0.00 0.00 O ATOM 4964 C5* A A 236 123.505 83.182 -26.022 0.00 0.00 C ATOM 4965 C4* A A 236 123.489 84.536 -25.299 0.00 0.00 C ATOM 4966 O4* A A 236 122.528 84.561 -24.244 0.00 0.00 O ATOM 4967 C3* A A 236 124.836 84.959 -24.719 0.00 0.00 C ATOM 4968 O3* A A 236 125.661 85.585 -25.692 0.00 0.00 O ATOM 4969 C2* A A 236 124.371 85.890 -23.589 0.00 0.00 C ATOM 4970 O2* A A 236 123.990 87.191 -24.026 0.00 0.00 O ATOM 4971 C1* A A 236 123.100 85.195 -23.105 0.00 0.00 C ATOM 4972 N9 A A 236 123.390 84.164 -22.090 0.00 0.00 N ATOM 4973 C8 A A 236 123.533 82.818 -22.297 0.00 0.00 C ATOM 4974 N7 A A 236 123.620 82.123 -21.209 0.00 0.00 N ATOM 4975 C5 A A 236 123.623 83.081 -20.212 0.00 0.00 C ATOM 4976 C6 A A 236 123.752 82.991 -18.821 0.00 0.00 C ATOM 4977 N6 A A 236 123.860 81.816 -18.222 0.00 0.00 N ATOM 4978 N1 A A 236 123.718 84.099 -18.075 0.00 0.00 N ATOM 4979 C2 A A 236 123.557 85.267 -18.701 0.00 0.00 C ATOM 4980 N3 A A 236 123.424 85.497 -20.011 0.00 0.00 N ATOM 4981 C4 A A 236 123.478 84.338 -20.725 0.00 0.00 C ATOM 4982 P G A 237 127.266 85.517 -25.589 0.00 0.00 P ATOM 4983 O1P G A 237 127.847 86.362 -26.665 0.00 0.00 O ATOM 4984 O2P G A 237 127.672 84.107 -25.438 0.00 0.00 O ATOM 4985 O5* G A 237 127.518 86.250 -24.189 0.00 0.00 O ATOM 4986 C5* G A 237 127.437 87.654 -24.094 0.00 0.00 C ATOM 4987 C4* G A 237 127.542 88.102 -22.639 0.00 0.00 C ATOM 4988 O4* G A 237 126.494 87.581 -21.837 0.00 0.00 O ATOM 4989 C3* G A 237 128.844 87.665 -21.988 0.00 0.00 C ATOM 4990 O3* G A 237 129.893 88.507 -22.408 0.00 0.00 O ATOM 4991 C2* G A 237 128.465 87.802 -20.515 0.00 0.00 C ATOM 4992 O2* G A 237 128.430 89.151 -20.068 0.00 0.00 O ATOM 4993 C1* G A 237 127.028 87.274 -20.559 0.00 0.00 C ATOM 4994 N9 G A 237 126.995 85.820 -20.275 0.00 0.00 N ATOM 4995 C8 G A 237 127.010 84.724 -21.104 0.00 0.00 C ATOM 4996 N7 G A 237 126.981 83.580 -20.469 0.00 0.00 N ATOM 4997 C5 G A 237 126.975 83.940 -19.119 0.00 0.00 C ATOM 4998 C6 G A 237 126.967 83.161 -17.909 0.00 0.00 C ATOM 4999 O6 G A 237 126.914 81.941 -17.749 0.00 0.00 O ATOM 5000 N1 G A 237 127.041 83.940 -16.766 0.00 0.00 N ATOM 5001 C2 G A 237 127.039 85.307 -16.773 0.00 0.00 C ATOM 5002 N2 G A 237 127.179 85.947 -15.637 0.00 0.00 N ATOM 5003 N3 G A 237 127.006 86.057 -17.867 0.00 0.00 N ATOM 5004 C4 G A 237 126.987 85.312 -19.007 0.00 0.00 C ATOM 5005 P A A 238 131.387 87.978 -22.533 0.00 0.00 P ATOM 5006 O1P A A 238 132.093 89.066 -23.259 0.00 0.00 O ATOM 5007 O2P A A 238 131.333 86.634 -23.139 0.00 0.00 O ATOM 5008 O5* A A 238 131.859 87.802 -20.983 0.00 0.00 O ATOM 5009 C5* A A 238 132.029 88.888 -20.083 0.00 0.00 C ATOM 5010 C4* A A 238 132.208 88.434 -18.614 0.00 0.00 C ATOM 5011 O4* A A 238 131.045 87.797 -18.084 0.00 0.00 O ATOM 5012 C3* A A 238 133.356 87.459 -18.378 0.00 0.00 C ATOM 5013 O3* A A 238 134.617 88.098 -18.359 0.00 0.00 O ATOM 5014 C2* A A 238 132.964 86.840 -17.030 0.00 0.00 C ATOM 5015 O2* A A 238 133.226 87.641 -15.884 0.00 0.00 O ATOM 5016 C1* A A 238 131.445 86.770 -17.176 0.00 0.00 C ATOM 5017 N9 A A 238 131.036 85.448 -17.693 0.00 0.00 N ATOM 5018 C8 A A 238 130.725 85.095 -18.982 0.00 0.00 C ATOM 5019 N7 A A 238 130.357 83.852 -19.123 0.00 0.00 N ATOM 5020 C5 A A 238 130.447 83.344 -17.825 0.00 0.00 C ATOM 5021 C6 A A 238 130.207 82.078 -17.250 0.00 0.00 C ATOM 5022 N6 A A 238 129.740 81.049 -17.932 0.00 0.00 N ATOM 5023 N1 A A 238 130.459 81.862 -15.953 0.00 0.00 N ATOM 5024 C2 A A 238 130.899 82.883 -15.227 0.00 0.00 C ATOM 5025 N3 A A 238 131.145 84.132 -15.621 0.00 0.00 N ATOM 5026 C4 A A 238 130.894 84.298 -16.951 0.00 0.00 C ATOM 5027 P U A 239 135.936 87.322 -18.834 0.00 0.00 P ATOM 5028 O1P U A 239 137.065 88.272 -18.773 0.00 0.00 O ATOM 5029 O2P U A 239 135.609 86.613 -20.089 0.00 0.00 O ATOM 5030 O5* U A 239 136.124 86.195 -17.705 0.00 0.00 O ATOM 5031 C5* U A 239 136.662 86.460 -16.427 0.00 0.00 C ATOM 5032 C4* U A 239 136.767 85.155 -15.620 0.00 0.00 C ATOM 5033 O4* U A 239 135.488 84.573 -15.360 0.00 0.00 O ATOM 5034 C3* U A 239 137.594 84.080 -16.320 0.00 0.00 C ATOM 5035 O3* U A 239 138.981 84.286 -16.171 0.00 0.00 O ATOM 5036 C2* U A 239 137.090 82.821 -15.610 0.00 0.00 C ATOM 5037 O2* U A 239 137.659 82.642 -14.316 0.00 0.00 O ATOM 5038 C1* U A 239 135.601 83.150 -15.425 0.00 0.00 C ATOM 5039 N1 U A 239 134.764 82.596 -16.529 0.00 0.00 N ATOM 5040 C2 U A 239 134.131 81.361 -16.333 0.00 0.00 C ATOM 5041 O2 U A 239 134.210 80.712 -15.287 0.00 0.00 O ATOM 5042 N3 U A 239 133.406 80.862 -17.401 0.00 0.00 N ATOM 5043 C4 U A 239 133.266 81.459 -18.636 0.00 0.00 C ATOM 5044 O4 U A 239 132.672 80.906 -19.558 0.00 0.00 O ATOM 5045 C5 U A 239 133.904 82.750 -18.747 0.00 0.00 C ATOM 5046 C6 U A 239 134.625 83.268 -17.725 0.00 0.00 C ATOM 5047 P G A 240 139.958 84.176 -17.434 0.00 0.00 P ATOM 5048 O1P G A 240 140.038 85.492 -18.091 0.00 0.00 O ATOM 5049 O2P G A 240 139.591 82.971 -18.209 0.00 0.00 O ATOM 5050 O5* G A 240 141.355 83.889 -16.720 0.00 0.00 O ATOM 5051 C5* G A 240 141.878 84.782 -15.756 0.00 0.00 C ATOM 5052 C4* G A 240 143.221 84.252 -15.272 0.00 0.00 C ATOM 5053 O4* G A 240 143.061 82.956 -14.711 0.00 0.00 O ATOM 5054 C3* G A 240 144.247 84.125 -16.396 0.00 0.00 C ATOM 5055 O3* G A 240 144.790 85.383 -16.770 0.00 0.00 O ATOM 5056 C2* G A 240 145.202 83.121 -15.732 0.00 0.00 C ATOM 5057 O2* G A 240 146.019 83.671 -14.703 0.00 0.00 O ATOM 5058 C1* G A 240 144.183 82.176 -15.079 0.00 0.00 C ATOM 5059 N9 G A 240 143.809 81.066 -15.992 0.00 0.00 N ATOM 5060 C8 G A 240 142.817 80.942 -16.941 0.00 0.00 C ATOM 5061 N7 G A 240 142.878 79.832 -17.642 0.00 0.00 N ATOM 5062 C5 G A 240 143.960 79.153 -17.077 0.00 0.00 C ATOM 5063 C6 G A 240 144.577 77.906 -17.429 0.00 0.00 C ATOM 5064 O6 G A 240 144.263 77.129 -18.332 0.00 0.00 O ATOM 5065 N1 G A 240 145.734 77.655 -16.713 0.00 0.00 N ATOM 5066 C2 G A 240 146.223 78.495 -15.747 0.00 0.00 C ATOM 5067 N2 G A 240 147.408 78.274 -15.242 0.00 0.00 N ATOM 5068 N3 G A 240 145.664 79.640 -15.384 0.00 0.00 N ATOM 5069 C4 G A 240 144.537 79.916 -16.090 0.00 0.00 C ATOM 5070 P G A 241 145.526 85.607 -18.181 0.00 0.00 P ATOM 5071 O1P G A 241 145.949 87.014 -18.304 0.00 0.00 O ATOM 5072 O2P G A 241 144.735 84.977 -19.266 0.00 0.00 O ATOM 5073 O5* G A 241 146.833 84.720 -18.003 0.00 0.00 O ATOM 5074 C5* G A 241 147.879 85.123 -17.143 0.00 0.00 C ATOM 5075 C4* G A 241 148.989 84.088 -17.242 0.00 0.00 C ATOM 5076 O4* G A 241 148.513 82.813 -16.833 0.00 0.00 O ATOM 5077 C3* G A 241 149.515 83.977 -18.676 0.00 0.00 C ATOM 5078 O3* G A 241 150.421 85.045 -18.953 0.00 0.00 O ATOM 5079 C2* G A 241 150.095 82.559 -18.601 0.00 0.00 C ATOM 5080 O2* G A 241 151.353 82.498 -17.937 0.00 0.00 O ATOM 5081 C1* G A 241 149.052 81.850 -17.719 0.00 0.00 C ATOM 5082 N9 G A 241 147.989 81.178 -18.509 0.00 0.00 N ATOM 5083 C8 G A 241 146.670 81.496 -18.752 0.00 0.00 C ATOM 5084 N7 G A 241 145.990 80.558 -19.372 0.00 0.00 N ATOM 5085 C5 G A 241 146.957 79.574 -19.613 0.00 0.00 C ATOM 5086 C6 G A 241 146.877 78.303 -20.279 0.00 0.00 C ATOM 5087 O6 G A 241 145.880 77.770 -20.768 0.00 0.00 O ATOM 5088 N1 G A 241 148.094 77.634 -20.327 0.00 0.00 N ATOM 5089 C2 G A 241 149.240 78.119 -19.756 0.00 0.00 C ATOM 5090 N2 G A 241 150.354 77.437 -19.844 0.00 0.00 N ATOM 5091 N3 G A 241 149.341 79.275 -19.116 0.00 0.00 N ATOM 5092 C4 G A 241 148.168 79.958 -19.089 0.00 0.00 C ATOM 5093 P G A 242 150.827 85.506 -20.444 0.00 0.00 P ATOM 5094 O1P G A 242 151.938 86.475 -20.305 0.00 0.00 O ATOM 5095 O2P G A 242 149.682 85.837 -21.320 0.00 0.00 O ATOM 5096 O5* G A 242 151.449 84.184 -21.042 0.00 0.00 O ATOM 5097 C5* G A 242 152.772 83.800 -20.747 0.00 0.00 C ATOM 5098 C4* G A 242 153.114 82.554 -21.535 0.00 0.00 C ATOM 5099 O4* G A 242 152.366 81.431 -21.094 0.00 0.00 O ATOM 5100 C3* G A 242 152.808 82.715 -23.018 0.00 0.00 C ATOM 5101 O3* G A 242 153.711 83.601 -23.660 0.00 0.00 O ATOM 5102 C2* G A 242 152.905 81.238 -23.401 0.00 0.00 C ATOM 5103 O2* G A 242 154.246 80.761 -23.406 0.00 0.00 O ATOM 5104 C1* G A 242 152.198 80.578 -22.214 0.00 0.00 C ATOM 5105 N9 G A 242 150.765 80.347 -22.496 0.00 0.00 N ATOM 5106 C8 G A 242 149.670 81.138 -22.252 0.00 0.00 C ATOM 5107 N7 G A 242 148.533 80.591 -22.591 0.00 0.00 N ATOM 5108 C5 G A 242 148.902 79.355 -23.142 0.00 0.00 C ATOM 5109 C6 G A 242 148.131 78.280 -23.717 0.00 0.00 C ATOM 5110 O6 G A 242 146.913 78.159 -23.860 0.00 0.00 O ATOM 5111 N1 G A 242 148.919 77.228 -24.159 0.00 0.00 N ATOM 5112 C2 G A 242 150.284 77.188 -24.045 0.00 0.00 C ATOM 5113 N2 G A 242 150.924 76.160 -24.561 0.00 0.00 N ATOM 5114 N3 G A 242 151.027 78.153 -23.507 0.00 0.00 N ATOM 5115 C4 G A 242 150.273 79.209 -23.078 0.00 0.00 C ATOM 5116 P A A 243 153.309 84.332 -25.017 0.00 0.00 P ATOM 5117 O1P A A 243 154.523 84.911 -25.637 0.00 0.00 O ATOM 5118 O2P A A 243 152.179 85.274 -24.785 0.00 0.00 O ATOM 5119 O5* A A 243 152.797 83.137 -25.955 0.00 0.00 O ATOM 5120 C5* A A 243 153.693 82.189 -26.534 0.00 0.00 C ATOM 5121 C4* A A 243 153.449 82.093 -28.042 0.00 0.00 C ATOM 5122 O4* A A 243 152.152 81.592 -28.233 0.00 0.00 O ATOM 5123 C3* A A 243 153.520 83.472 -28.738 0.00 0.00 C ATOM 5124 O3* A A 243 154.768 83.850 -29.330 0.00 0.00 O ATOM 5125 C2* A A 243 152.210 83.530 -29.546 0.00 0.00 C ATOM 5126 O2* A A 243 152.265 84.033 -30.869 0.00 0.00 O ATOM 5127 C1* A A 243 151.698 82.089 -29.462 0.00 0.00 C ATOM 5128 N9 A A 243 150.233 81.968 -29.411 0.00 0.00 N ATOM 5129 C8 A A 243 149.321 82.775 -28.774 0.00 0.00 C ATOM 5130 N7 A A 243 148.088 82.370 -28.870 0.00 0.00 N ATOM 5131 C5 A A 243 148.210 81.170 -29.582 0.00 0.00 C ATOM 5132 C6 A A 243 147.307 80.174 -30.003 0.00 0.00 C ATOM 5133 N6 A A 243 146.020 80.247 -29.790 0.00 0.00 N ATOM 5134 N1 A A 243 147.720 79.081 -30.661 0.00 0.00 N ATOM 5135 C2 A A 243 149.020 78.976 -30.899 0.00 0.00 C ATOM 5136 N3 A A 243 149.990 79.826 -30.574 0.00 0.00 N ATOM 5137 C4 A A 243 149.511 80.912 -29.904 0.00 0.00 C ATOM 5138 P U A 244 155.595 83.034 -30.451 0.00 0.00 P ATOM 5139 O1P U A 244 156.858 83.758 -30.715 0.00 0.00 O ATOM 5140 O2P U A 244 154.728 82.744 -31.609 0.00 0.00 O ATOM 5141 O5* U A 244 155.986 81.627 -29.808 0.00 0.00 O ATOM 5142 C5* U A 244 156.676 81.517 -28.583 0.00 0.00 C ATOM 5143 C4* U A 244 156.942 80.022 -28.371 0.00 0.00 C ATOM 5144 O4* U A 244 158.180 79.712 -28.997 0.00 0.00 O ATOM 5145 C3* U A 244 157.077 79.667 -26.883 0.00 0.00 C ATOM 5146 O3* U A 244 156.825 78.290 -26.641 0.00 0.00 O ATOM 5147 C2* U A 244 158.542 80.009 -26.657 0.00 0.00 C ATOM 5148 O2* U A 244 159.110 79.440 -25.479 0.00 0.00 O ATOM 5149 C1* U A 244 159.148 79.528 -27.983 0.00 0.00 C ATOM 5150 N1 U A 244 160.415 80.249 -28.260 0.00 0.00 N ATOM 5151 C2 U A 244 161.579 79.644 -27.795 0.00 0.00 C ATOM 5152 O2 U A 244 161.535 78.594 -27.147 0.00 0.00 O ATOM 5153 N3 U A 244 162.764 80.313 -28.051 0.00 0.00 N ATOM 5154 C4 U A 244 162.883 81.558 -28.639 0.00 0.00 C ATOM 5155 O4 U A 244 163.990 82.050 -28.838 0.00 0.00 O ATOM 5156 C5 U A 244 161.617 82.166 -28.994 0.00 0.00 C ATOM 5157 C6 U A 244 160.441 81.510 -28.818 0.00 0.00 C ATOM 5158 P U A 245 155.340 77.789 -26.328 0.00 0.00 P ATOM 5159 O1P U A 245 154.666 78.818 -25.489 0.00 0.00 O ATOM 5160 O2P U A 245 155.454 76.458 -25.694 0.00 0.00 O ATOM 5161 O5* U A 245 154.624 77.659 -27.769 0.00 0.00 O ATOM 5162 C5* U A 245 154.928 76.595 -28.673 0.00 0.00 C ATOM 5163 C4* U A 245 153.674 75.885 -29.217 0.00 0.00 C ATOM 5164 O4* U A 245 152.740 75.685 -28.165 0.00 0.00 O ATOM 5165 C3* U A 245 152.953 76.574 -30.383 0.00 0.00 C ATOM 5166 O3* U A 245 153.519 76.207 -31.637 0.00 0.00 O ATOM 5167 C2* U A 245 151.538 76.017 -30.200 0.00 0.00 C ATOM 5168 O2* U A 245 151.343 74.724 -30.765 0.00 0.00 O ATOM 5169 C1* U A 245 151.432 75.874 -28.673 0.00 0.00 C ATOM 5170 N1 U A 245 150.734 77.034 -28.054 0.00 0.00 N ATOM 5171 C2 U A 245 149.353 77.079 -28.229 0.00 0.00 C ATOM 5172 O2 U A 245 148.761 76.243 -28.904 0.00 0.00 O ATOM 5173 N3 U A 245 148.665 78.114 -27.631 0.00 0.00 N ATOM 5174 C4 U A 245 149.245 79.133 -26.906 0.00 0.00 C ATOM 5175 O4 U A 245 148.553 80.023 -26.440 0.00 0.00 O ATOM 5176 C5 U A 245 150.680 79.024 -26.757 0.00 0.00 C ATOM 5177 C6 U A 245 151.379 78.002 -27.315 0.00 0.00 C ATOM 5178 P A A 246 153.380 77.101 -32.970 0.00 0.00 P ATOM 5179 O1P A A 246 154.148 76.383 -34.017 0.00 0.00 O ATOM 5180 O2P A A 246 153.768 78.483 -32.631 0.00 0.00 O ATOM 5181 O5* A A 246 151.830 77.132 -33.454 0.00 0.00 O ATOM 5182 C5* A A 246 151.175 75.990 -33.995 0.00 0.00 C ATOM 5183 C4* A A 246 150.102 76.339 -35.050 0.00 0.00 C ATOM 5184 O4* A A 246 149.010 77.019 -34.426 0.00 0.00 O ATOM 5185 C3* A A 246 150.601 77.213 -36.226 0.00 0.00 C ATOM 5186 O3* A A 246 150.038 76.776 -37.462 0.00 0.00 O ATOM 5187 C2* A A 246 149.995 78.568 -35.834 0.00 0.00 C ATOM 5188 O2* A A 246 149.857 79.505 -36.900 0.00 0.00 O ATOM 5189 C1* A A 246 148.655 78.107 -35.261 0.00 0.00 C ATOM 5190 N9 A A 246 147.892 79.164 -34.543 0.00 0.00 N ATOM 5191 C8 A A 246 148.358 80.196 -33.763 0.00 0.00 C ATOM 5192 N7 A A 246 147.439 81.028 -33.346 0.00 0.00 N ATOM 5193 C5 A A 246 146.255 80.473 -33.861 0.00 0.00 C ATOM 5194 C6 A A 246 144.879 80.821 -33.819 0.00 0.00 C ATOM 5195 N6 A A 246 144.394 81.906 -33.251 0.00 0.00 N ATOM 5196 N1 A A 246 143.949 80.092 -34.451 0.00 0.00 N ATOM 5197 C2 A A 246 144.375 79.040 -35.141 0.00 0.00 C ATOM 5198 N3 A A 246 145.625 78.611 -35.314 0.00 0.00 N ATOM 5199 C4 A A 246 146.528 79.360 -34.614 0.00 0.00 C ATOM 5200 P G A 247 150.883 75.970 -38.569 0.00 0.00 P ATOM 5201 O1P G A 247 151.501 74.772 -37.966 0.00 0.00 O ATOM 5202 O2P G A 247 151.686 76.930 -39.357 0.00 0.00 O ATOM 5203 O5* G A 247 149.776 75.488 -39.653 0.00 0.00 O ATOM 5204 C5* G A 247 148.916 74.386 -39.426 0.00 0.00 C ATOM 5205 C4* G A 247 148.143 74.554 -38.124 0.00 0.00 C ATOM 5206 O4* G A 247 147.380 75.755 -38.119 0.00 0.00 O ATOM 5207 C3* G A 247 147.165 73.416 -37.870 0.00 0.00 C ATOM 5208 O3* G A 247 147.817 72.247 -37.407 0.00 0.00 O ATOM 5209 C2* G A 247 146.319 74.112 -36.809 0.00 0.00 C ATOM 5210 O2* G A 247 147.072 74.162 -35.601 0.00 0.00 O ATOM 5211 C1* G A 247 146.173 75.515 -37.420 0.00 0.00 C ATOM 5212 N9 G A 247 145.081 75.610 -38.424 0.00 0.00 N ATOM 5213 C8 G A 247 145.166 75.759 -39.786 0.00 0.00 C ATOM 5214 N7 G A 247 144.017 75.796 -40.404 0.00 0.00 N ATOM 5215 C5 G A 247 143.080 75.681 -39.368 0.00 0.00 C ATOM 5216 C6 G A 247 141.637 75.661 -39.363 0.00 0.00 C ATOM 5217 O6 G A 247 140.841 75.696 -40.301 0.00 0.00 O ATOM 5218 N1 G A 247 141.107 75.582 -38.089 0.00 0.00 N ATOM 5219 C2 G A 247 141.860 75.551 -36.955 0.00 0.00 C ATOM 5220 N2 G A 247 141.241 75.474 -35.812 0.00 0.00 N ATOM 5221 N3 G A 247 143.187 75.557 -36.919 0.00 0.00 N ATOM 5222 C4 G A 247 143.739 75.615 -38.156 0.00 0.00 C ATOM 5223 P C A 248 147.043 70.858 -37.360 0.00 0.00 P ATOM 5224 O1P C A 248 147.875 69.868 -36.644 0.00 0.00 O ATOM 5225 O2P C A 248 146.634 70.480 -38.729 0.00 0.00 O ATOM 5226 O5* C A 248 145.691 71.032 -36.513 0.00 0.00 O ATOM 5227 C5* C A 248 145.681 71.027 -35.090 0.00 0.00 C ATOM 5228 C4* C A 248 144.252 70.983 -34.523 0.00 0.00 C ATOM 5229 O4* C A 248 143.491 72.129 -34.880 0.00 0.00 O ATOM 5230 C3* C A 248 143.453 69.787 -35.016 0.00 0.00 C ATOM 5231 O3* C A 248 143.833 68.575 -34.375 0.00 0.00 O ATOM 5232 C2* C A 248 142.027 70.286 -34.735 0.00 0.00 C ATOM 5233 O2* C A 248 141.641 70.254 -33.372 0.00 0.00 O ATOM 5234 C1* C A 248 142.127 71.766 -35.099 0.00 0.00 C ATOM 5235 N1 C A 248 141.689 72.002 -36.506 0.00 0.00 N ATOM 5236 C2 C A 248 140.314 72.011 -36.814 0.00 0.00 C ATOM 5237 O2 C A 248 139.441 71.845 -35.953 0.00 0.00 O ATOM 5238 N3 C A 248 139.915 72.208 -38.099 0.00 0.00 N ATOM 5239 C4 C A 248 140.831 72.427 -39.038 0.00 0.00 C ATOM 5240 N4 C A 248 140.406 72.674 -40.251 0.00 0.00 N ATOM 5241 C5 C A 248 142.231 72.433 -38.776 0.00 0.00 C ATOM 5242 C6 C A 248 142.617 72.207 -37.499 0.00 0.00 C ATOM 5243 P U A 249 143.609 67.160 -35.095 0.00 0.00 P ATOM 5244 O1P U A 249 143.990 66.073 -34.164 0.00 0.00 O ATOM 5245 O2P U A 249 144.273 67.234 -36.429 0.00 0.00 O ATOM 5246 O5* U A 249 142.001 67.144 -35.266 0.00 0.00 O ATOM 5247 C5* U A 249 141.132 67.077 -34.133 0.00 0.00 C ATOM 5248 C4* U A 249 139.658 67.189 -34.548 0.00 0.00 C ATOM 5249 O4* U A 249 139.346 68.416 -35.200 0.00 0.00 O ATOM 5250 C3* U A 249 139.267 66.070 -35.500 0.00 0.00 C ATOM 5251 O3* U A 249 139.070 64.871 -34.764 0.00 0.00 O ATOM 5252 C2* U A 249 138.020 66.685 -36.141 0.00 0.00 C ATOM 5253 O2* U A 249 136.876 66.649 -35.315 0.00 0.00 O ATOM 5254 C1* U A 249 138.381 68.169 -36.219 0.00 0.00 C ATOM 5255 N1 U A 249 138.864 68.557 -37.571 0.00 0.00 N ATOM 5256 C2 U A 249 137.904 68.883 -38.536 0.00 0.00 C ATOM 5257 O2 U A 249 136.692 68.890 -38.305 0.00 0.00 O ATOM 5258 N3 U A 249 138.374 69.205 -39.797 0.00 0.00 N ATOM 5259 C4 U A 249 139.700 69.268 -40.172 0.00 0.00 C ATOM 5260 O4 U A 249 140.008 69.529 -41.330 0.00 0.00 O ATOM 5261 C5 U A 249 140.634 68.961 -39.109 0.00 0.00 C ATOM 5262 C6 U A 249 140.208 68.608 -37.870 0.00 0.00 C ATOM 5263 P A A 250 139.387 63.429 -35.380 0.00 0.00 P ATOM 5264 O1P A A 250 139.708 62.495 -34.271 0.00 0.00 O ATOM 5265 O2P A A 250 140.407 63.573 -36.443 0.00 0.00 O ATOM 5266 O5* A A 250 138.023 63.002 -36.106 0.00 0.00 O ATOM 5267 C5* A A 250 136.835 62.676 -35.397 0.00 0.00 C ATOM 5268 C4* A A 250 135.829 61.964 -36.322 0.00 0.00 C ATOM 5269 O4* A A 250 135.402 62.839 -37.355 0.00 0.00 O ATOM 5270 C3* A A 250 136.459 60.749 -37.021 0.00 0.00 C ATOM 5271 O3* A A 250 136.653 59.551 -36.250 0.00 0.00 O ATOM 5272 C2* A A 250 135.801 60.712 -38.412 0.00 0.00 C ATOM 5273 O2* A A 250 134.670 59.866 -38.537 0.00 0.00 O ATOM 5274 C1* A A 250 135.308 62.158 -38.600 0.00 0.00 C ATOM 5275 N9 A A 250 136.058 62.984 -39.584 0.00 0.00 N ATOM 5276 C8 A A 250 137.142 63.791 -39.329 0.00 0.00 C ATOM 5277 N7 A A 250 137.445 64.619 -40.292 0.00 0.00 N ATOM 5278 C5 A A 250 136.484 64.342 -41.269 0.00 0.00 C ATOM 5279 C6 A A 250 136.174 64.901 -42.537 0.00 0.00 C ATOM 5280 N6 A A 250 136.765 65.945 -43.102 0.00 0.00 N ATOM 5281 N1 A A 250 135.185 64.398 -43.276 0.00 0.00 N ATOM 5282 C2 A A 250 134.487 63.393 -42.766 0.00 0.00 C ATOM 5283 N3 A A 250 134.637 62.764 -41.597 0.00 0.00 N ATOM 5284 C4 A A 250 135.662 63.312 -40.870 0.00 0.00 C ATOM 5285 P G A 251 135.519 58.649 -35.508 0.00 0.00 P ATOM 5286 O1P G A 251 136.114 58.281 -34.197 0.00 0.00 O ATOM 5287 O2P G A 251 135.107 57.558 -36.418 0.00 0.00 O ATOM 5288 O5* G A 251 134.263 59.605 -35.183 0.00 0.00 O ATOM 5289 C5* G A 251 133.509 59.534 -33.979 0.00 0.00 C ATOM 5290 C4* G A 251 132.775 60.867 -33.770 0.00 0.00 C ATOM 5291 O4* G A 251 131.896 61.062 -34.858 0.00 0.00 O ATOM 5292 C3* G A 251 131.924 60.887 -32.476 0.00 0.00 C ATOM 5293 O3* G A 251 131.813 62.172 -31.866 0.00 0.00 O ATOM 5294 C2* G A 251 130.551 60.432 -33.005 0.00 0.00 C ATOM 5295 O2* G A 251 129.440 60.935 -32.278 0.00 0.00 O ATOM 5296 C1* G A 251 130.571 61.072 -34.383 0.00 0.00 C ATOM 5297 N9 G A 251 129.728 60.419 -35.400 0.00 0.00 N ATOM 5298 C8 G A 251 129.704 59.118 -35.832 0.00 0.00 C ATOM 5299 N7 G A 251 128.981 58.923 -36.904 0.00 0.00 N ATOM 5300 C5 G A 251 128.480 60.196 -37.200 0.00 0.00 C ATOM 5301 C6 G A 251 127.653 60.674 -38.273 0.00 0.00 C ATOM 5302 O6 G A 251 127.176 60.026 -39.210 0.00 0.00 O ATOM 5303 N1 G A 251 127.391 62.040 -38.184 0.00 0.00 N ATOM 5304 C2 G A 251 127.846 62.836 -37.163 0.00 0.00 C ATOM 5305 N2 G A 251 127.499 64.095 -37.079 0.00 0.00 N ATOM 5306 N3 G A 251 128.652 62.427 -36.196 0.00 0.00 N ATOM 5307 C4 G A 251 128.919 61.099 -36.261 0.00 0.00 C ATOM 5308 P U A 252 133.074 63.076 -31.498 0.00 0.00 P ATOM 5309 O1P U A 252 134.269 62.211 -31.395 0.00 0.00 O ATOM 5310 O2P U A 252 132.725 63.970 -30.365 0.00 0.00 O ATOM 5311 O5* U A 252 133.159 63.945 -32.838 0.00 0.00 O ATOM 5312 C5* U A 252 134.228 64.825 -33.065 0.00 0.00 C ATOM 5313 C4* U A 252 134.034 65.598 -34.367 0.00 0.00 C ATOM 5314 O4* U A 252 134.201 64.805 -35.532 0.00 0.00 O ATOM 5315 C3* U A 252 132.682 66.276 -34.547 0.00 0.00 C ATOM 5316 O3* U A 252 132.617 67.404 -33.700 0.00 0.00 O ATOM 5317 C2* U A 252 132.835 66.668 -36.020 0.00 0.00 C ATOM 5318 O2* U A 252 133.648 67.838 -36.105 0.00 0.00 O ATOM 5319 C1* U A 252 133.616 65.493 -36.633 0.00 0.00 C ATOM 5320 N1 U A 252 132.814 64.606 -37.536 0.00 0.00 N ATOM 5321 C2 U A 252 132.756 64.955 -38.891 0.00 0.00 C ATOM 5322 O2 U A 252 133.203 66.008 -39.337 0.00 0.00 O ATOM 5323 N3 U A 252 132.197 64.034 -39.753 0.00 0.00 N ATOM 5324 C4 U A 252 131.742 62.780 -39.426 0.00 0.00 C ATOM 5325 O4 U A 252 131.378 62.016 -40.322 0.00 0.00 O ATOM 5326 C5 U A 252 131.789 62.497 -38.007 0.00 0.00 C ATOM 5327 C6 U A 252 132.302 63.395 -37.118 0.00 0.00 C ATOM 5328 P A A 253 131.251 68.077 -33.238 0.00 0.00 P ATOM 5329 O1P A A 253 131.741 69.293 -32.552 0.00 0.00 O ATOM 5330 O2P A A 253 130.484 67.065 -32.481 0.00 0.00 O ATOM 5331 O5* A A 253 130.487 68.516 -34.605 0.00 0.00 O ATOM 5332 C5* A A 253 130.417 69.891 -34.968 0.00 0.00 C ATOM 5333 C4* A A 253 129.682 70.219 -36.276 0.00 0.00 C ATOM 5334 O4* A A 253 130.381 69.766 -37.434 0.00 0.00 O ATOM 5335 C3* A A 253 128.240 69.722 -36.401 0.00 0.00 C ATOM 5336 O3* A A 253 127.337 70.450 -35.595 0.00 0.00 O ATOM 5337 C2* A A 253 128.050 69.974 -37.903 0.00 0.00 C ATOM 5338 O2* A A 253 127.862 71.354 -38.199 0.00 0.00 O ATOM 5339 C1* A A 253 129.409 69.526 -38.452 0.00 0.00 C ATOM 5340 N9 A A 253 129.392 68.073 -38.721 0.00 0.00 N ATOM 5341 C8 A A 253 129.687 67.065 -37.841 0.00 0.00 C ATOM 5342 N7 A A 253 129.642 65.870 -38.350 0.00 0.00 N ATOM 5343 C5 A A 253 129.180 66.100 -39.647 0.00 0.00 C ATOM 5344 C6 A A 253 128.804 65.249 -40.707 0.00 0.00 C ATOM 5345 N6 A A 253 128.860 63.924 -40.658 0.00 0.00 N ATOM 5346 N1 A A 253 128.338 65.772 -41.847 0.00 0.00 N ATOM 5347 C2 A A 253 128.241 67.098 -41.944 0.00 0.00 C ATOM 5348 N3 A A 253 128.561 68.025 -41.035 0.00 0.00 N ATOM 5349 C4 A A 253 129.023 67.443 -39.888 0.00 0.00 C ATOM 5350 P G A 254 125.836 69.944 -35.323 0.00 0.00 P ATOM 5351 O1P G A 254 125.131 71.052 -34.663 0.00 0.00 O ATOM 5352 O2P G A 254 125.876 68.591 -34.728 0.00 0.00 O ATOM 5353 O5* G A 254 125.149 69.813 -36.752 0.00 0.00 O ATOM 5354 C5* G A 254 124.488 70.932 -37.304 0.00 0.00 C ATOM 5355 C4* G A 254 124.037 70.633 -38.721 0.00 0.00 C ATOM 5356 O4* G A 254 125.113 70.059 -39.455 0.00 0.00 O ATOM 5357 C3* G A 254 122.867 69.659 -38.799 0.00 0.00 C ATOM 5358 O3* G A 254 121.604 70.255 -38.532 0.00 0.00 O ATOM 5359 C2* G A 254 123.064 69.203 -40.246 0.00 0.00 C ATOM 5360 O2* G A 254 122.842 70.198 -41.232 0.00 0.00 O ATOM 5361 C1* G A 254 124.579 69.041 -40.285 0.00 0.00 C ATOM 5362 N9 G A 254 124.989 67.674 -39.888 0.00 0.00 N ATOM 5363 C8 G A 254 125.607 67.196 -38.756 0.00 0.00 C ATOM 5364 N7 G A 254 125.926 65.927 -38.817 0.00 0.00 N ATOM 5365 C5 G A 254 125.431 65.520 -40.061 0.00 0.00 C ATOM 5366 C6 G A 254 125.444 64.247 -40.734 0.00 0.00 C ATOM 5367 O6 G A 254 125.941 63.177 -40.381 0.00 0.00 O ATOM 5368 N1 G A 254 124.817 64.284 -41.969 0.00 0.00 N ATOM 5369 C2 G A 254 124.231 65.395 -42.500 0.00 0.00 C ATOM 5370 N2 G A 254 123.597 65.235 -43.635 0.00 0.00 N ATOM 5371 N3 G A 254 124.225 66.590 -41.918 0.00 0.00 N ATOM 5372 C4 G A 254 124.841 66.586 -40.702 0.00 0.00 C ATOM 5373 P G A 255 120.392 69.366 -37.953 0.00 0.00 P ATOM 5374 O1P G A 255 119.275 70.310 -37.700 0.00 0.00 O ATOM 5375 O2P G A 255 120.916 68.513 -36.878 0.00 0.00 O ATOM 5376 O5* G A 255 120.003 68.443 -39.194 0.00 0.00 O ATOM 5377 C5* G A 255 119.434 69.021 -40.343 0.00 0.00 C ATOM 5378 C4* G A 255 119.216 67.981 -41.441 0.00 0.00 C ATOM 5379 O4* G A 255 120.426 67.338 -41.803 0.00 0.00 O ATOM 5380 C3* G A 255 118.227 66.886 -41.047 0.00 0.00 C ATOM 5381 O3* G A 255 116.897 67.372 -41.171 0.00 0.00 O ATOM 5382 C2* G A 255 118.593 65.821 -42.085 0.00 0.00 C ATOM 5383 O2* G A 255 117.865 66.085 -43.280 0.00 0.00 O ATOM 5384 C1* G A 255 120.122 66.009 -42.205 0.00 0.00 C ATOM 5385 N9 G A 255 120.871 65.045 -41.354 0.00 0.00 N ATOM 5386 C8 G A 255 121.512 65.227 -40.152 0.00 0.00 C ATOM 5387 N7 G A 255 122.122 64.160 -39.704 0.00 0.00 N ATOM 5388 C5 G A 255 121.867 63.184 -40.671 0.00 0.00 C ATOM 5389 C6 G A 255 122.237 61.793 -40.776 0.00 0.00 C ATOM 5390 O6 G A 255 122.905 61.070 -40.047 0.00 0.00 O ATOM 5391 N1 G A 255 121.728 61.177 -41.899 0.00 0.00 N ATOM 5392 C2 G A 255 120.991 61.818 -42.846 0.00 0.00 C ATOM 5393 N2 G A 255 120.554 61.100 -43.851 0.00 0.00 N ATOM 5394 N3 G A 255 120.633 63.096 -42.792 0.00 0.00 N ATOM 5395 C4 G A 255 121.100 63.730 -41.679 0.00 0.00 C ATOM 5396 P U A 256 115.660 66.667 -40.450 0.00 0.00 P ATOM 5397 O1P U A 256 114.437 67.383 -40.862 0.00 0.00 O ATOM 5398 O2P U A 256 115.980 66.557 -39.011 0.00 0.00 O ATOM 5399 O5* U A 256 115.574 65.179 -41.030 0.00 0.00 O ATOM 5400 C5* U A 256 114.952 64.897 -42.272 0.00 0.00 C ATOM 5401 C4* U A 256 115.020 63.401 -42.584 0.00 0.00 C ATOM 5402 O4* U A 256 116.372 62.995 -42.775 0.00 0.00 O ATOM 5403 C3* U A 256 114.455 62.509 -41.477 0.00 0.00 C ATOM 5404 O3* U A 256 113.029 62.482 -41.418 0.00 0.00 O ATOM 5405 C2* U A 256 115.127 61.189 -41.874 0.00 0.00 C ATOM 5406 O2* U A 256 114.539 60.571 -43.011 0.00 0.00 O ATOM 5407 C1* U A 256 116.522 61.666 -42.296 0.00 0.00 C ATOM 5408 N1 U A 256 117.506 61.583 -41.178 0.00 0.00 N ATOM 5409 C2 U A 256 118.179 60.370 -41.006 0.00 0.00 C ATOM 5410 O2 U A 256 117.969 59.378 -41.699 0.00 0.00 O ATOM 5411 N3 U A 256 119.104 60.312 -39.987 0.00 0.00 N ATOM 5412 C4 U A 256 119.418 61.319 -39.109 0.00 0.00 C ATOM 5413 O4 U A 256 120.242 61.104 -38.229 0.00 0.00 O ATOM 5414 C5 U A 256 118.693 62.551 -39.347 0.00 0.00 C ATOM 5415 C6 U A 256 117.769 62.648 -40.342 0.00 0.00 C ATOM 5416 P G A 257 112.252 62.088 -40.057 0.00 0.00 P ATOM 5417 O1P G A 257 110.789 62.275 -40.249 0.00 0.00 O ATOM 5418 O2P G A 257 112.917 62.796 -38.940 0.00 0.00 O ATOM 5419 O5* G A 257 112.589 60.517 -39.894 0.00 0.00 O ATOM 5420 C5* G A 257 112.082 59.522 -40.772 0.00 0.00 C ATOM 5421 C4* G A 257 112.767 58.175 -40.497 0.00 0.00 C ATOM 5422 O4* G A 257 114.166 58.275 -40.751 0.00 0.00 O ATOM 5423 C3* G A 257 112.638 57.695 -39.050 0.00 0.00 C ATOM 5424 O3* G A 257 111.413 57.066 -38.720 0.00 0.00 O ATOM 5425 C2* G A 257 113.828 56.745 -38.960 0.00 0.00 C ATOM 5426 O2* G A 257 113.610 55.492 -39.596 0.00 0.00 O ATOM 5427 C1* G A 257 114.865 57.526 -39.765 0.00 0.00 C ATOM 5428 N9 G A 257 115.671 58.377 -38.854 0.00 0.00 N ATOM 5429 C8 G A 257 115.561 59.700 -38.498 0.00 0.00 C ATOM 5430 N7 G A 257 116.459 60.101 -37.630 0.00 0.00 N ATOM 5431 C5 G A 257 117.235 58.953 -37.401 0.00 0.00 C ATOM 5432 C6 G A 257 118.385 58.697 -36.566 0.00 0.00 C ATOM 5433 O6 G A 257 119.034 59.463 -35.857 0.00 0.00 O ATOM 5434 N1 G A 257 118.757 57.363 -36.544 0.00 0.00 N ATOM 5435 C2 G A 257 118.121 56.385 -37.255 0.00 0.00 C ATOM 5436 N2 G A 257 118.518 55.144 -37.129 0.00 0.00 N ATOM 5437 N3 G A 257 117.099 56.591 -38.074 0.00 0.00 N ATOM 5438 C4 G A 257 116.705 57.893 -38.103 0.00 0.00 C ATOM 5439 P G A 258 110.920 57.037 -37.201 0.00 0.00 P ATOM 5440 O1P G A 258 109.569 56.437 -37.173 0.00 0.00 O ATOM 5441 O2P G A 258 110.978 58.434 -36.724 0.00 0.00 O ATOM 5442 O5* G A 258 111.960 56.169 -36.335 0.00 0.00 O ATOM 5443 C5* G A 258 112.086 54.764 -36.481 0.00 0.00 C ATOM 5444 C4* G A 258 113.340 54.261 -35.752 0.00 0.00 C ATOM 5445 O4* G A 258 114.487 54.991 -36.180 0.00 0.00 O ATOM 5446 C3* G A 258 113.324 54.385 -34.227 0.00 0.00 C ATOM 5447 O3* G A 258 112.511 53.431 -33.552 0.00 0.00 O ATOM 5448 C2* G A 258 114.827 54.224 -33.965 0.00 0.00 C ATOM 5449 O2* G A 258 115.317 52.901 -34.117 0.00 0.00 O ATOM 5450 C1* G A 258 115.427 55.019 -35.117 0.00 0.00 C ATOM 5451 N9 G A 258 115.756 56.386 -34.666 0.00 0.00 N ATOM 5452 C8 G A 258 115.089 57.573 -34.831 0.00 0.00 C ATOM 5453 N7 G A 258 115.706 58.608 -34.319 0.00 0.00 N ATOM 5454 C5 G A 258 116.865 58.055 -33.751 0.00 0.00 C ATOM 5455 C6 G A 258 117.992 58.653 -33.088 0.00 0.00 C ATOM 5456 O6 G A 258 118.177 59.837 -32.841 0.00 0.00 O ATOM 5457 N1 G A 258 118.994 57.746 -32.754 0.00 0.00 N ATOM 5458 C2 G A 258 118.855 56.393 -32.946 0.00 0.00 C ATOM 5459 N2 G A 258 119.721 55.545 -32.448 0.00 0.00 N ATOM 5460 N3 G A 258 117.836 55.814 -33.565 0.00 0.00 N ATOM 5461 C4 G A 258 116.883 56.698 -33.957 0.00 0.00 C ATOM 5462 P G A 259 112.162 53.603 -31.985 0.00 0.00 P ATOM 5463 O1P G A 259 111.115 52.622 -31.613 0.00 0.00 O ATOM 5464 O2P G A 259 111.906 55.039 -31.744 0.00 0.00 O ATOM 5465 O5* G A 259 113.542 53.229 -31.230 0.00 0.00 O ATOM 5466 C5* G A 259 114.073 51.912 -31.187 0.00 0.00 C ATOM 5467 C4* G A 259 115.433 51.908 -30.470 0.00 0.00 C ATOM 5468 O4* G A 259 116.344 52.809 -31.097 0.00 0.00 O ATOM 5469 C3* G A 259 115.333 52.309 -28.998 0.00 0.00 C ATOM 5470 O3* G A 259 114.936 51.241 -28.149 0.00 0.00 O ATOM 5471 C2* G A 259 116.756 52.816 -28.743 0.00 0.00 C ATOM 5472 O2* G A 259 117.727 51.795 -28.555 0.00 0.00 O ATOM 5473 C1* G A 259 117.070 53.489 -30.079 0.00 0.00 C ATOM 5474 N9 G A 259 116.745 54.931 -30.039 0.00 0.00 N ATOM 5475 C8 G A 259 115.714 55.639 -30.606 0.00 0.00 C ATOM 5476 N7 G A 259 115.860 56.934 -30.537 0.00 0.00 N ATOM 5477 C5 G A 259 117.018 57.097 -29.774 0.00 0.00 C ATOM 5478 C6 G A 259 117.681 58.268 -29.278 0.00 0.00 C ATOM 5479 O6 G A 259 117.420 59.452 -29.456 0.00 0.00 O ATOM 5480 N1 G A 259 118.767 57.976 -28.472 0.00 0.00 N ATOM 5481 C2 G A 259 119.167 56.710 -28.155 0.00 0.00 C ATOM 5482 N2 G A 259 120.156 56.559 -27.306 0.00 0.00 N ATOM 5483 N3 G A 259 118.608 55.606 -28.635 0.00 0.00 N ATOM 5484 C4 G A 259 117.533 55.868 -29.431 0.00 0.00 C ATOM 5485 P G A 260 114.174 51.529 -26.761 0.00 0.00 P ATOM 5486 O1P G A 260 113.977 50.253 -26.036 0.00 0.00 O ATOM 5487 O2P G A 260 113.010 52.400 -27.032 0.00 0.00 O ATOM 5488 O5* G A 260 115.229 52.428 -25.960 0.00 0.00 O ATOM 5489 C5* G A 260 116.372 51.897 -25.322 0.00 0.00 C ATOM 5490 C4* G A 260 117.114 53.050 -24.633 0.00 0.00 C ATOM 5491 O4* G A 260 117.627 54.003 -25.566 0.00 0.00 O ATOM 5492 C3* G A 260 116.214 53.835 -23.679 0.00 0.00 C ATOM 5493 O3* G A 260 115.990 53.131 -22.469 0.00 0.00 O ATOM 5494 C2* G A 260 117.022 55.137 -23.575 0.00 0.00 C ATOM 5495 O2* G A 260 118.192 55.033 -22.780 0.00 0.00 O ATOM 5496 C1* G A 260 117.494 55.317 -25.018 0.00 0.00 C ATOM 5497 N9 G A 260 116.539 56.139 -25.810 0.00 0.00 N ATOM 5498 C8 G A 260 115.520 55.715 -26.624 0.00 0.00 C ATOM 5499 N7 G A 260 114.874 56.677 -27.222 0.00 0.00 N ATOM 5500 C5 G A 260 115.499 57.843 -26.773 0.00 0.00 C ATOM 5501 C6 G A 260 115.232 59.234 -27.054 0.00 0.00 C ATOM 5502 O6 G A 260 114.396 59.735 -27.807 0.00 0.00 O ATOM 5503 N1 G A 260 116.023 60.105 -26.316 0.00 0.00 N ATOM 5504 C2 G A 260 116.999 59.686 -25.450 0.00 0.00 C ATOM 5505 N2 G A 260 117.650 60.617 -24.784 0.00 0.00 N ATOM 5506 N3 G A 260 117.287 58.403 -25.192 0.00 0.00 N ATOM 5507 C4 G A 260 116.501 57.521 -25.880 0.00 0.00 C ATOM 5508 P U A 261 114.719 53.442 -21.533 0.00 0.00 P ATOM 5509 O1P U A 261 114.737 52.502 -20.396 0.00 0.00 O ATOM 5510 O2P U A 261 113.505 53.581 -22.377 0.00 0.00 O ATOM 5511 O5* U A 261 115.057 54.910 -21.015 0.00 0.00 O ATOM 5512 C5* U A 261 116.058 55.194 -20.062 0.00 0.00 C ATOM 5513 C4* U A 261 116.073 56.709 -19.834 0.00 0.00 C ATOM 5514 O4* U A 261 116.451 57.434 -21.004 0.00 0.00 O ATOM 5515 C3* U A 261 114.701 57.239 -19.425 0.00 0.00 C ATOM 5516 O3* U A 261 114.426 56.962 -18.068 0.00 0.00 O ATOM 5517 C2* U A 261 114.883 58.717 -19.751 0.00 0.00 C ATOM 5518 O2* U A 261 115.695 59.372 -18.787 0.00 0.00 O ATOM 5519 C1* U A 261 115.677 58.636 -21.062 0.00 0.00 C ATOM 5520 N1 U A 261 114.798 58.665 -22.270 0.00 0.00 N ATOM 5521 C2 U A 261 114.536 59.908 -22.853 0.00 0.00 C ATOM 5522 O2 U A 261 115.050 60.959 -22.481 0.00 0.00 O ATOM 5523 N3 U A 261 113.686 59.918 -23.935 0.00 0.00 N ATOM 5524 C4 U A 261 113.197 58.825 -24.604 0.00 0.00 C ATOM 5525 O4 U A 261 112.441 58.950 -25.566 0.00 0.00 O ATOM 5526 C5 U A 261 113.680 57.573 -24.072 0.00 0.00 C ATOM 5527 C6 U A 261 114.382 57.515 -22.910 0.00 0.00 C ATOM 5528 P A A 262 112.935 56.649 -17.577 0.00 0.00 P ATOM 5529 O1P A A 262 112.990 56.199 -16.175 0.00 0.00 O ATOM 5530 O2P A A 262 112.247 55.839 -18.607 0.00 0.00 O ATOM 5531 O5* A A 262 112.236 58.081 -17.570 0.00 0.00 O ATOM 5532 C5* A A 262 110.844 58.179 -17.346 0.00 0.00 C ATOM 5533 C4* A A 262 110.396 59.632 -17.454 0.00 0.00 C ATOM 5534 O4* A A 262 110.856 60.390 -16.337 0.00 0.00 O ATOM 5535 C3* A A 262 110.892 60.278 -18.755 0.00 0.00 C ATOM 5536 O3* A A 262 109.952 60.072 -19.816 0.00 0.00 O ATOM 5537 C2* A A 262 110.957 61.720 -18.282 0.00 0.00 C ATOM 5538 O2* A A 262 109.650 62.256 -18.386 0.00 0.00 O ATOM 5539 C1* A A 262 111.355 61.630 -16.802 0.00 0.00 C ATOM 5540 N9 A A 262 112.818 61.706 -16.548 0.00 0.00 N ATOM 5541 C8 A A 262 113.684 60.692 -16.199 0.00 0.00 C ATOM 5542 N7 A A 262 114.877 61.097 -15.859 0.00 0.00 N ATOM 5543 C5 A A 262 114.798 62.482 -15.984 0.00 0.00 C ATOM 5544 C6 A A 262 115.706 63.539 -15.751 0.00 0.00 C ATOM 5545 N6 A A 262 116.950 63.401 -15.320 0.00 0.00 N ATOM 5546 N1 A A 262 115.338 64.800 -15.972 0.00 0.00 N ATOM 5547 C2 A A 262 114.101 65.031 -16.393 0.00 0.00 C ATOM 5548 N3 A A 262 113.128 64.149 -16.647 0.00 0.00 N ATOM 5549 C4 A A 262 113.553 62.867 -16.420 0.00 0.00 C ATOM 5550 P A A 263 109.890 59.854 -21.405 0.00 0.00 P ATOM 5551 O1P A A 263 108.591 60.334 -21.925 0.00 0.00 O ATOM 5552 O2P A A 263 110.365 58.493 -21.742 0.00 0.00 O ATOM 5553 O5* A A 263 111.037 60.926 -21.738 0.00 0.00 O ATOM 5554 C5* A A 263 110.349 62.136 -21.409 0.00 0.00 C ATOM 5555 C4* A A 263 111.035 63.436 -21.706 0.00 0.00 C ATOM 5556 O4* A A 263 111.728 63.913 -20.531 0.00 0.00 O ATOM 5557 C3* A A 263 112.089 63.389 -22.795 0.00 0.00 C ATOM 5558 O3* A A 263 111.479 63.523 -24.058 0.00 0.00 O ATOM 5559 C2* A A 263 112.958 64.586 -22.460 0.00 0.00 C ATOM 5560 O2* A A 263 112.370 65.767 -22.964 0.00 0.00 O ATOM 5561 C1* A A 263 112.903 64.595 -20.927 0.00 0.00 C ATOM 5562 N9 A A 263 114.038 63.922 -20.304 0.00 0.00 N ATOM 5563 C8 A A 263 114.220 62.577 -20.149 0.00 0.00 C ATOM 5564 N7 A A 263 115.352 62.260 -19.583 0.00 0.00 N ATOM 5565 C5 A A 263 115.959 63.479 -19.350 0.00 0.00 C ATOM 5566 C6 A A 263 117.195 63.820 -18.802 0.00 0.00 C ATOM 5567 N6 A A 263 118.093 62.924 -18.397 0.00 0.00 N ATOM 5568 N1 A A 263 117.492 65.129 -18.692 0.00 0.00 N ATOM 5569 C2 A A 263 116.599 66.024 -19.121 0.00 0.00 C ATOM 5570 N3 A A 263 115.411 65.826 -19.674 0.00 0.00 N ATOM 5571 C4 A A 263 115.150 64.513 -19.766 0.00 0.00 C ATOM 5572 P C A 264 111.584 63.004 -25.573 0.00 0.00 P ATOM 5573 O1P C A 264 110.987 64.004 -26.486 0.00 0.00 O ATOM 5574 O2P C A 264 111.160 61.588 -25.647 0.00 0.00 O ATOM 5575 O5* C A 264 113.185 63.095 -25.642 0.00 0.00 O ATOM 5576 C5* C A 264 113.351 64.515 -25.685 0.00 0.00 C ATOM 5577 C4* C A 264 114.320 65.478 -26.332 0.00 0.00 C ATOM 5578 O4* C A 264 114.902 66.350 -25.327 0.00 0.00 O ATOM 5579 C3* C A 264 115.511 64.816 -27.003 0.00 0.00 C ATOM 5580 O3* C A 264 115.180 64.408 -28.320 0.00 0.00 O ATOM 5581 C2* C A 264 116.570 65.909 -26.967 0.00 0.00 C ATOM 5582 O2* C A 264 116.424 66.848 -28.018 0.00 0.00 O ATOM 5583 C1* C A 264 116.260 66.609 -25.639 0.00 0.00 C ATOM 5584 N1 C A 264 117.102 66.156 -24.509 0.00 0.00 N ATOM 5585 C2 C A 264 118.296 66.822 -24.251 0.00 0.00 C ATOM 5586 O2 C A 264 118.617 67.774 -24.973 0.00 0.00 O ATOM 5587 N3 C A 264 119.067 66.402 -23.216 0.00 0.00 N ATOM 5588 C4 C A 264 118.683 65.368 -22.457 0.00 0.00 C ATOM 5589 N4 C A 264 119.469 64.997 -21.457 0.00 0.00 N ATOM 5590 C5 C A 264 117.458 64.669 -22.704 0.00 0.00 C ATOM 5591 C6 C A 264 116.704 65.105 -23.744 0.00 0.00 C ATOM 5592 P G A 265 116.146 64.752 -29.555 0.00 0.00 P ATOM 5593 O1P G A 265 115.226 65.137 -30.648 0.00 0.00 O ATOM 5594 O2P G A 265 117.004 63.555 -29.698 0.00 0.00 O ATOM 5595 O5* G A 265 117.179 65.976 -29.449 0.00 0.00 O ATOM 5596 C5* G A 265 117.335 67.122 -30.290 0.00 0.00 C ATOM 5597 C4* G A 265 118.774 67.156 -29.713 0.00 0.00 C ATOM 5598 O4* G A 265 118.881 67.255 -28.290 0.00 0.00 O ATOM 5599 C3* G A 265 119.608 65.929 -30.016 0.00 0.00 C ATOM 5600 O3* G A 265 119.944 65.810 -31.374 0.00 0.00 O ATOM 5601 C2* G A 265 120.801 66.153 -29.072 0.00 0.00 C ATOM 5602 O2* G A 265 121.621 67.249 -29.435 0.00 0.00 O ATOM 5603 C1* G A 265 120.043 66.547 -27.815 0.00 0.00 C ATOM 5604 N9 G A 265 119.767 65.324 -26.993 0.00 0.00 N ATOM 5605 C8 G A 265 118.711 64.443 -27.057 0.00 0.00 C ATOM 5606 N7 G A 265 118.686 63.544 -26.110 0.00 0.00 N ATOM 5607 C5 G A 265 119.877 63.770 -25.415 0.00 0.00 C ATOM 5608 C6 G A 265 120.465 63.069 -24.303 0.00 0.00 C ATOM 5609 O6 G A 265 120.021 62.117 -23.662 0.00 0.00 O ATOM 5610 N1 G A 265 121.714 63.548 -23.933 0.00 0.00 N ATOM 5611 C2 G A 265 122.326 64.592 -24.570 0.00 0.00 C ATOM 5612 N2 G A 265 123.539 64.909 -24.166 0.00 0.00 N ATOM 5613 N3 G A 265 121.804 65.274 -25.598 0.00 0.00 N ATOM 5614 C4 G A 265 120.568 64.823 -25.980 0.00 0.00 C ATOM 5615 P G A 266 120.225 64.362 -31.985 0.00 0.00 P ATOM 5616 O1P G A 266 120.403 64.494 -33.441 0.00 0.00 O ATOM 5617 O2P G A 266 119.230 63.421 -31.412 0.00 0.00 O ATOM 5618 O5* G A 266 121.631 63.990 -31.326 0.00 0.00 O ATOM 5619 C5* G A 266 122.806 64.725 -31.554 0.00 0.00 C ATOM 5620 C4* G A 266 123.937 63.981 -30.828 0.00 0.00 C ATOM 5621 O4* G A 266 124.187 62.724 -31.429 0.00 0.00 O ATOM 5622 C3* G A 266 125.234 64.772 -30.871 0.00 0.00 C ATOM 5623 O3* G A 266 125.374 65.579 -29.696 0.00 0.00 O ATOM 5624 C2* G A 266 126.302 63.801 -31.388 0.00 0.00 C ATOM 5625 O2* G A 266 127.116 63.395 -30.317 0.00 0.00 O ATOM 5626 C1* G A 266 125.461 62.677 -32.034 0.00 0.00 C ATOM 5627 N9 G A 266 125.214 62.764 -33.503 0.00 0.00 N ATOM 5628 C8 G A 266 124.844 63.849 -34.266 0.00 0.00 C ATOM 5629 N7 G A 266 124.584 63.570 -35.511 0.00 0.00 N ATOM 5630 C5 G A 266 124.804 62.196 -35.598 0.00 0.00 C ATOM 5631 C6 G A 266 124.741 61.304 -36.719 0.00 0.00 C ATOM 5632 O6 G A 266 124.514 61.555 -37.888 0.00 0.00 O ATOM 5633 N1 G A 266 125.064 59.992 -36.432 0.00 0.00 N ATOM 5634 C2 G A 266 125.486 59.593 -35.196 0.00 0.00 C ATOM 5635 N2 G A 266 125.898 58.347 -35.085 0.00 0.00 N ATOM 5636 N3 G A 266 125.557 60.392 -34.122 0.00 0.00 N ATOM 5637 C4 G A 266 125.206 61.693 -34.381 0.00 0.00 C ATOM 5638 P C A 267 126.021 65.310 -28.221 0.00 0.00 P ATOM 5639 O1P C A 267 125.382 66.322 -27.351 0.00 0.00 O ATOM 5640 O2P C A 267 127.507 65.322 -28.282 0.00 0.00 O ATOM 5641 O5* C A 267 125.522 63.901 -27.646 0.00 0.00 O ATOM 5642 C5* C A 267 125.997 63.484 -26.378 0.00 0.00 C ATOM 5643 C4* C A 267 125.483 62.103 -25.970 0.00 0.00 C ATOM 5644 O4* C A 267 124.092 62.115 -25.682 0.00 0.00 O ATOM 5645 C3* C A 267 125.722 61.047 -27.043 0.00 0.00 C ATOM 5646 O3* C A 267 127.071 60.595 -27.021 0.00 0.00 O ATOM 5647 C2* C A 267 124.680 60.006 -26.608 0.00 0.00 C ATOM 5648 O2* C A 267 125.143 59.195 -25.536 0.00 0.00 O ATOM 5649 C1* C A 267 123.531 60.865 -26.059 0.00 0.00 C ATOM 5650 N1 C A 267 122.410 61.061 -27.024 0.00 0.00 N ATOM 5651 C2 C A 267 121.401 60.086 -27.094 0.00 0.00 C ATOM 5652 O2 C A 267 121.489 59.009 -26.503 0.00 0.00 O ATOM 5653 N3 C A 267 120.305 60.299 -27.862 0.00 0.00 N ATOM 5654 C4 C A 267 120.217 61.419 -28.565 0.00 0.00 C ATOM 5655 N4 C A 267 119.165 61.567 -29.314 0.00 0.00 N ATOM 5656 C5 C A 267 121.234 62.410 -28.574 0.00 0.00 C ATOM 5657 C6 C A 267 122.315 62.202 -27.787 0.00 0.00 C ATOM 5658 P U A 268 127.771 59.949 -28.310 0.00 0.00 P ATOM 5659 O1P U A 268 129.128 59.518 -27.890 0.00 0.00 O ATOM 5660 O2P U A 268 127.595 60.866 -29.465 0.00 0.00 O ATOM 5661 O5* U A 268 126.914 58.623 -28.578 0.00 0.00 O ATOM 5662 C5* U A 268 127.083 57.433 -27.826 0.00 0.00 C ATOM 5663 C4* U A 268 126.071 56.387 -28.303 0.00 0.00 C ATOM 5664 O4* U A 268 124.742 56.821 -28.017 0.00 0.00 O ATOM 5665 C3* U A 268 126.140 56.130 -29.814 0.00 0.00 C ATOM 5666 O3* U A 268 127.227 55.299 -30.235 0.00 0.00 O ATOM 5667 C2* U A 268 124.736 55.549 -30.024 0.00 0.00 C ATOM 5668 O2* U A 268 124.625 54.198 -29.598 0.00 0.00 O ATOM 5669 C1* U A 268 123.880 56.382 -29.063 0.00 0.00 C ATOM 5670 N1 U A 268 123.211 57.528 -29.742 0.00 0.00 N ATOM 5671 C2 U A 268 121.915 57.335 -30.240 0.00 0.00 C ATOM 5672 O2 U A 268 121.383 56.231 -30.327 0.00 0.00 O ATOM 5673 N3 U A 268 121.240 58.455 -30.690 0.00 0.00 N ATOM 5674 C4 U A 268 121.827 59.677 -30.925 0.00 0.00 C ATOM 5675 O4 U A 268 121.232 60.501 -31.595 0.00 0.00 O ATOM 5676 C5 U A 268 123.160 59.816 -30.384 0.00 0.00 C ATOM 5677 C6 U A 268 123.811 58.763 -29.835 0.00 0.00 C ATOM 5678 P C A 269 127.690 55.253 -31.786 0.00 0.00 P ATOM 5679 O1P C A 269 128.908 54.414 -31.948 0.00 0.00 O ATOM 5680 O2P C A 269 127.761 56.633 -32.304 0.00 0.00 O ATOM 5681 O5* C A 269 126.471 54.539 -32.550 0.00 0.00 O ATOM 5682 C5* C A 269 126.170 53.158 -32.415 0.00 0.00 C ATOM 5683 C4* C A 269 124.958 52.803 -33.291 0.00 0.00 C ATOM 5684 O4* C A 269 123.795 53.539 -32.905 0.00 0.00 O ATOM 5685 C3* C A 269 125.188 53.109 -34.773 0.00 0.00 C ATOM 5686 O3* C A 269 126.020 52.151 -35.429 0.00 0.00 O ATOM 5687 C2* C A 269 123.730 53.168 -35.251 0.00 0.00 C ATOM 5688 O2* C A 269 123.153 51.883 -35.431 0.00 0.00 O ATOM 5689 C1* C A 269 122.997 53.797 -34.063 0.00 0.00 C ATOM 5690 N1 C A 269 122.736 55.257 -34.256 0.00 0.00 N ATOM 5691 C2 C A 269 121.600 55.668 -34.980 0.00 0.00 C ATOM 5692 O2 C A 269 120.852 54.861 -35.540 0.00 0.00 O ATOM 5693 N3 C A 269 121.279 56.989 -35.044 0.00 0.00 N ATOM 5694 C4 C A 269 122.036 57.874 -34.404 0.00 0.00 C ATOM 5695 N4 C A 269 121.642 59.124 -34.424 0.00 0.00 N ATOM 5696 C5 C A 269 123.190 57.508 -33.655 0.00 0.00 C ATOM 5697 C6 C A 269 123.527 56.196 -33.639 0.00 0.00 C ATOM 5698 P A A 270 126.690 52.454 -36.863 0.00 0.00 P ATOM 5699 O1P A A 270 127.671 51.399 -37.210 0.00 0.00 O ATOM 5700 O2P A A 270 127.175 53.850 -36.875 0.00 0.00 O ATOM 5701 O5* A A 270 125.490 52.360 -37.924 0.00 0.00 O ATOM 5702 C5* A A 270 124.886 51.137 -38.317 0.00 0.00 C ATOM 5703 C4* A A 270 123.724 51.389 -39.294 0.00 0.00 C ATOM 5704 O4* A A 270 122.639 52.055 -38.650 0.00 0.00 O ATOM 5705 C3* A A 270 124.100 52.246 -40.507 0.00 0.00 C ATOM 5706 O3* A A 270 124.784 51.523 -41.518 0.00 0.00 O ATOM 5707 C2* A A 270 122.714 52.751 -40.924 0.00 0.00 C ATOM 5708 O2* A A 270 121.923 51.780 -41.593 0.00 0.00 O ATOM 5709 C1* A A 270 122.079 53.000 -39.560 0.00 0.00 C ATOM 5710 N9 A A 270 122.364 54.371 -39.082 0.00 0.00 N ATOM 5711 C8 A A 270 123.426 54.819 -38.334 0.00 0.00 C ATOM 5712 N7 A A 270 123.315 56.044 -37.908 0.00 0.00 N ATOM 5713 C5 A A 270 122.123 56.464 -38.503 0.00 0.00 C ATOM 5714 C6 A A 270 121.432 57.689 -38.524 0.00 0.00 C ATOM 5715 N6 A A 270 121.813 58.738 -37.818 0.00 0.00 N ATOM 5716 N1 A A 270 120.334 57.834 -39.280 0.00 0.00 N ATOM 5717 C2 A A 270 119.917 56.785 -39.984 0.00 0.00 C ATOM 5718 N3 A A 270 120.447 55.565 -40.038 0.00 0.00 N ATOM 5719 C4 A A 270 121.565 55.472 -39.265 0.00 0.00 C ATOM 5720 P C A 271 125.814 52.251 -42.515 0.00 0.00 P ATOM 5721 O1P C A 271 126.452 51.221 -43.355 0.00 0.00 O ATOM 5722 O2P C A 271 126.652 53.161 -41.694 0.00 0.00 O ATOM 5723 O5* C A 271 124.882 53.168 -43.451 0.00 0.00 O ATOM 5724 C5* C A 271 123.939 52.669 -44.383 0.00 0.00 C ATOM 5725 C4* C A 271 122.999 53.801 -44.853 0.00 0.00 C ATOM 5726 O4* C A 271 122.188 54.304 -43.784 0.00 0.00 O ATOM 5727 C3* C A 271 123.711 55.026 -45.425 0.00 0.00 C ATOM 5728 O3* C A 271 124.178 54.881 -46.752 0.00 0.00 O ATOM 5729 C2* C A 271 122.607 56.080 -45.282 0.00 0.00 C ATOM 5730 O2* C A 271 121.538 55.941 -46.208 0.00 0.00 O ATOM 5731 C1* C A 271 122.050 55.725 -43.909 0.00 0.00 C ATOM 5732 N1 C A 271 122.775 56.474 -42.838 0.00 0.00 N ATOM 5733 C2 C A 271 122.386 57.791 -42.539 0.00 0.00 C ATOM 5734 O2 C A 271 121.536 58.395 -43.200 0.00 0.00 O ATOM 5735 N3 C A 271 122.982 58.441 -41.507 0.00 0.00 N ATOM 5736 C4 C A 271 123.943 57.840 -40.814 0.00 0.00 C ATOM 5737 N4 C A 271 124.495 58.496 -39.825 0.00 0.00 N ATOM 5738 C5 C A 271 124.426 56.543 -41.129 0.00 0.00 C ATOM 5739 C6 C A 271 123.821 55.900 -42.151 0.00 0.00 C ATOM 5740 P C A 272 125.321 55.861 -47.313 0.00 0.00 P ATOM 5741 O1P C A 272 125.644 55.447 -48.693 0.00 0.00 O ATOM 5742 O2P C A 272 126.380 55.955 -46.284 0.00 0.00 O ATOM 5743 O5* C A 272 124.590 57.289 -47.364 0.00 0.00 O ATOM 5744 C5* C A 272 123.619 57.604 -48.341 0.00 0.00 C ATOM 5745 C4* C A 272 123.125 59.041 -48.130 0.00 0.00 C ATOM 5746 O4* C A 272 122.607 59.251 -46.814 0.00 0.00 O ATOM 5747 C3* C A 272 124.230 60.074 -48.323 0.00 0.00 C ATOM 5748 O3* C A 272 124.517 60.323 -49.688 0.00 0.00 O ATOM 5749 C2* C A 272 123.608 61.260 -47.587 0.00 0.00 C ATOM 5750 O2* C A 272 122.549 61.886 -48.299 0.00 0.00 O ATOM 5751 C1* C A 272 122.974 60.563 -46.383 0.00 0.00 C ATOM 5752 N1 C A 272 123.890 60.554 -45.201 0.00 0.00 N ATOM 5753 C2 C A 272 124.017 61.733 -44.459 0.00 0.00 C ATOM 5754 O2 C A 272 123.514 62.788 -44.837 0.00 0.00 O ATOM 5755 N3 C A 272 124.709 61.733 -43.291 0.00 0.00 N ATOM 5756 C4 C A 272 125.264 60.607 -42.862 0.00 0.00 C ATOM 5757 N4 C A 272 125.881 60.679 -41.707 0.00 0.00 N ATOM 5758 C5 C A 272 125.231 59.396 -43.616 0.00 0.00 C ATOM 5759 C6 C A 272 124.546 59.418 -44.787 0.00 0.00 C ATOM 5760 P U A 273 125.927 60.949 -50.139 0.00 0.00 P ATOM 5761 O1P U A 273 125.963 60.989 -51.614 0.00 0.00 O ATOM 5762 O2P U A 273 126.992 60.262 -49.381 0.00 0.00 O ATOM 5763 O5* U A 273 125.852 62.453 -49.588 0.00 0.00 O ATOM 5764 C5* U A 273 125.005 63.427 -50.162 0.00 0.00 C ATOM 5765 C4* U A 273 125.039 64.699 -49.307 0.00 0.00 C ATOM 5766 O4* U A 273 124.652 64.422 -47.962 0.00 0.00 O ATOM 5767 C3* U A 273 126.418 65.350 -49.227 0.00 0.00 C ATOM 5768 O3* U A 273 126.751 66.121 -50.367 0.00 0.00 O ATOM 5769 C2* U A 273 126.229 66.196 -47.966 0.00 0.00 C ATOM 5770 O2* U A 273 125.429 67.355 -48.184 0.00 0.00 O ATOM 5771 C1* U A 273 125.425 65.237 -47.084 0.00 0.00 C ATOM 5772 N1 U A 273 126.310 64.445 -46.180 0.00 0.00 N ATOM 5773 C2 U A 273 126.741 65.073 -45.009 0.00 0.00 C ATOM 5774 O2 U A 273 126.575 66.269 -44.780 0.00 0.00 O ATOM 5775 N3 U A 273 127.400 64.287 -44.089 0.00 0.00 N ATOM 5776 C4 U A 273 127.737 62.963 -44.240 0.00 0.00 C ATOM 5777 O4 U A 273 128.357 62.390 -43.347 0.00 0.00 O ATOM 5778 C5 U A 273 127.342 62.398 -45.514 0.00 0.00 C ATOM 5779 C6 U A 273 126.666 63.135 -46.435 0.00 0.00 C ATOM 5780 P A A 274 128.285 66.400 -50.761 0.00 0.00 P ATOM 5781 O1P A A 274 128.304 67.289 -51.941 0.00 0.00 O ATOM 5782 O2P A A 274 128.987 65.102 -50.798 0.00 0.00 O ATOM 5783 O5* A A 274 128.887 67.206 -49.509 0.00 0.00 O ATOM 5784 C5* A A 274 128.524 68.547 -49.229 0.00 0.00 C ATOM 5785 C4* A A 274 129.295 69.064 -48.003 0.00 0.00 C ATOM 5786 O4* A A 274 129.130 68.148 -46.921 0.00 0.00 O ATOM 5787 C3* A A 274 130.808 69.216 -48.290 0.00 0.00 C ATOM 5788 O3* A A 274 131.389 70.362 -47.665 0.00 0.00 O ATOM 5789 C2* A A 274 131.332 67.898 -47.704 0.00 0.00 C ATOM 5790 O2* A A 274 132.710 67.867 -47.351 0.00 0.00 O ATOM 5791 C1* A A 274 130.416 67.743 -46.493 0.00 0.00 C ATOM 5792 N9 A A 274 130.407 66.360 -45.963 0.00 0.00 N ATOM 5793 C8 A A 274 130.127 65.179 -46.611 0.00 0.00 C ATOM 5794 N7 A A 274 130.323 64.110 -45.886 0.00 0.00 N ATOM 5795 C5 A A 274 130.763 64.625 -44.664 0.00 0.00 C ATOM 5796 C6 A A 274 131.173 64.060 -43.433 0.00 0.00 C ATOM 5797 N6 A A 274 131.139 62.772 -43.133 0.00 0.00 N ATOM 5798 N1 A A 274 131.598 64.830 -42.431 0.00 0.00 N ATOM 5799 C2 A A 274 131.590 66.146 -42.614 0.00 0.00 C ATOM 5800 N3 A A 274 131.213 66.819 -43.698 0.00 0.00 N ATOM 5801 C4 A A 274 130.809 65.993 -44.701 0.00 0.00 C ATOM 5802 P G A 275 130.932 71.860 -48.065 0.00 0.00 P ATOM 5803 O1P G A 275 130.138 71.809 -49.309 0.00 0.00 O ATOM 5804 O2P G A 275 132.081 72.793 -47.951 0.00 0.00 O ATOM 5805 O5* G A 275 129.932 72.148 -46.847 0.00 0.00 O ATOM 5806 C5* G A 275 130.436 72.528 -45.585 0.00 0.00 C ATOM 5807 C4* G A 275 129.706 71.801 -44.457 0.00 0.00 C ATOM 5808 O4* G A 275 130.053 70.420 -44.374 0.00 0.00 O ATOM 5809 C3* G A 275 130.113 72.441 -43.138 0.00 0.00 C ATOM 5810 O3* G A 275 129.287 73.565 -42.881 0.00 0.00 O ATOM 5811 C2* G A 275 130.001 71.262 -42.166 0.00 0.00 C ATOM 5812 O2* G A 275 128.664 70.997 -41.767 0.00 0.00 O ATOM 5813 C1* G A 275 130.501 70.111 -43.055 0.00 0.00 C ATOM 5814 N9 G A 275 131.982 69.954 -43.061 0.00 0.00 N ATOM 5815 C8 G A 275 132.818 69.962 -44.152 0.00 0.00 C ATOM 5816 N7 G A 275 134.072 69.737 -43.880 0.00 0.00 N ATOM 5817 C5 G A 275 134.081 69.554 -42.496 0.00 0.00 C ATOM 5818 C6 G A 275 135.169 69.281 -41.595 0.00 0.00 C ATOM 5819 O6 G A 275 136.369 69.125 -41.826 0.00 0.00 O ATOM 5820 N1 G A 275 134.769 69.186 -40.277 0.00 0.00 N ATOM 5821 C2 G A 275 133.477 69.265 -39.864 0.00 0.00 C ATOM 5822 N2 G A 275 133.295 69.309 -38.560 0.00 0.00 N ATOM 5823 N3 G A 275 132.437 69.515 -40.666 0.00 0.00 N ATOM 5824 C4 G A 275 132.801 69.656 -41.984 0.00 0.00 C ATOM 5825 P G A 276 129.909 74.982 -42.471 0.00 0.00 P ATOM 5826 O1P G A 276 128.824 75.997 -42.510 0.00 0.00 O ATOM 5827 O2P G A 276 131.128 75.191 -43.286 0.00 0.00 O ATOM 5828 O5* G A 276 130.348 74.652 -40.951 0.00 0.00 O ATOM 5829 C5* G A 276 129.402 74.236 -39.977 0.00 0.00 C ATOM 5830 C4* G A 276 130.081 73.764 -38.689 0.00 0.00 C ATOM 5831 O4* G A 276 130.757 72.530 -38.895 0.00 0.00 O ATOM 5832 C3* G A 276 131.117 74.742 -38.132 0.00 0.00 C ATOM 5833 O3* G A 276 130.563 75.868 -37.464 0.00 0.00 O ATOM 5834 C2* G A 276 131.891 73.777 -37.227 0.00 0.00 C ATOM 5835 O2* G A 276 131.188 73.422 -36.041 0.00 0.00 O ATOM 5836 C1* G A 276 131.949 72.543 -38.130 0.00 0.00 C ATOM 5837 N9 G A 276 133.120 72.582 -39.039 0.00 0.00 N ATOM 5838 C8 G A 276 133.196 72.815 -40.390 0.00 0.00 C ATOM 5839 N7 G A 276 134.410 72.755 -40.876 0.00 0.00 N ATOM 5840 C5 G A 276 135.206 72.476 -39.761 0.00 0.00 C ATOM 5841 C6 G A 276 136.630 72.314 -39.602 0.00 0.00 C ATOM 5842 O6 G A 276 137.530 72.346 -40.444 0.00 0.00 O ATOM 5843 N1 G A 276 137.001 72.133 -38.277 0.00 0.00 N ATOM 5844 C2 G A 276 136.113 72.050 -37.240 0.00 0.00 C ATOM 5845 N2 G A 276 136.556 72.005 -36.010 0.00 0.00 N ATOM 5846 N3 G A 276 134.794 72.115 -37.362 0.00 0.00 N ATOM 5847 C4 G A 276 134.408 72.364 -38.642 0.00 0.00 C ATOM 5848 P C A 277 131.420 77.234 -37.303 0.00 0.00 P ATOM 5849 O1P C A 277 130.639 78.192 -36.496 0.00 0.00 O ATOM 5850 O2P C A 277 131.935 77.654 -38.621 0.00 0.00 O ATOM 5851 O5* C A 277 132.631 76.715 -36.426 0.00 0.00 O ATOM 5852 C5* C A 277 132.515 76.470 -35.041 0.00 0.00 C ATOM 5853 C4* C A 277 133.929 76.329 -34.494 0.00 0.00 C ATOM 5854 O4* C A 277 134.601 75.167 -34.987 0.00 0.00 O ATOM 5855 C3* C A 277 134.811 77.510 -34.901 0.00 0.00 C ATOM 5856 O3* C A 277 134.480 78.736 -34.277 0.00 0.00 O ATOM 5857 C2* C A 277 136.160 76.898 -34.534 0.00 0.00 C ATOM 5858 O2* C A 277 136.314 76.764 -33.123 0.00 0.00 O ATOM 5859 C1* C A 277 135.978 75.503 -35.158 0.00 0.00 C ATOM 5860 N1 C A 277 136.378 75.491 -36.603 0.00 0.00 N ATOM 5861 C2 C A 277 137.738 75.373 -36.901 0.00 0.00 C ATOM 5862 O2 C A 277 138.562 75.223 -35.998 0.00 0.00 O ATOM 5863 N3 C A 277 138.170 75.421 -38.191 0.00 0.00 N ATOM 5864 C4 C A 277 137.273 75.541 -39.166 0.00 0.00 C ATOM 5865 N4 C A 277 137.713 75.549 -40.403 0.00 0.00 N ATOM 5866 C5 C A 277 135.873 75.619 -38.919 0.00 0.00 C ATOM 5867 C6 C A 277 135.465 75.600 -37.628 0.00 0.00 C ATOM 5868 P G A 278 134.928 80.135 -34.930 0.00 0.00 P ATOM 5869 O1P G A 278 134.409 81.231 -34.090 0.00 0.00 O ATOM 5870 O2P G A 278 134.632 80.129 -36.387 0.00 0.00 O ATOM 5871 O5* G A 278 136.517 80.081 -34.771 0.00 0.00 O ATOM 5872 C5* G A 278 137.139 80.075 -33.500 0.00 0.00 C ATOM 5873 C4* G A 278 138.651 80.060 -33.699 0.00 0.00 C ATOM 5874 O4* G A 278 139.111 78.927 -34.448 0.00 0.00 O ATOM 5875 C3* G A 278 139.125 81.300 -34.451 0.00 0.00 C ATOM 5876 O3* G A 278 139.128 82.464 -33.628 0.00 0.00 O ATOM 5877 C2* G A 278 140.499 80.785 -34.872 0.00 0.00 C ATOM 5878 O2* G A 278 141.339 80.767 -33.729 0.00 0.00 O ATOM 5879 C1* G A 278 140.183 79.338 -35.297 0.00 0.00 C ATOM 5880 N9 G A 278 139.771 79.202 -36.727 0.00 0.00 N ATOM 5881 C8 G A 278 138.501 79.117 -37.248 0.00 0.00 C ATOM 5882 N7 G A 278 138.452 79.024 -38.549 0.00 0.00 N ATOM 5883 C5 G A 278 139.794 78.979 -38.934 0.00 0.00 C ATOM 5884 C6 G A 278 140.402 78.860 -40.236 0.00 0.00 C ATOM 5885 O6 G A 278 139.871 78.803 -41.342 0.00 0.00 O ATOM 5886 N1 G A 278 141.788 78.836 -40.202 0.00 0.00 N ATOM 5887 C2 G A 278 142.507 78.954 -39.043 0.00 0.00 C ATOM 5888 N2 G A 278 143.814 78.801 -39.110 0.00 0.00 N ATOM 5889 N3 G A 278 141.978 79.084 -37.823 0.00 0.00 N ATOM 5890 C4 G A 278 140.609 79.087 -37.824 0.00 0.00 C ATOM 5891 P A A 279 139.205 83.947 -34.243 0.00 0.00 P ATOM 5892 O1P A A 279 138.315 84.825 -33.443 0.00 0.00 O ATOM 5893 O2P A A 279 138.994 83.832 -35.707 0.00 0.00 O ATOM 5894 O5* A A 279 140.731 84.439 -34.096 0.00 0.00 O ATOM 5895 C5* A A 279 141.135 85.332 -33.067 0.00 0.00 C ATOM 5896 C4* A A 279 142.513 85.949 -33.362 0.00 0.00 C ATOM 5897 O4* A A 279 143.490 84.933 -33.527 0.00 0.00 O ATOM 5898 C3* A A 279 142.498 86.741 -34.674 0.00 0.00 C ATOM 5899 O3* A A 279 141.922 88.051 -34.690 0.00 0.00 O ATOM 5900 C2* A A 279 143.929 86.594 -35.218 0.00 0.00 C ATOM 5901 O2* A A 279 144.821 87.654 -34.921 0.00 0.00 O ATOM 5902 C1* A A 279 144.427 85.316 -34.521 0.00 0.00 C ATOM 5903 N9 A A 279 144.569 84.191 -35.473 0.00 0.00 N ATOM 5904 C8 A A 279 143.579 83.539 -36.166 0.00 0.00 C ATOM 5905 N7 A A 279 144.011 82.618 -36.988 0.00 0.00 N ATOM 5906 C5 A A 279 145.387 82.585 -36.732 0.00 0.00 C ATOM 5907 C6 A A 279 146.459 81.768 -37.169 0.00 0.00 C ATOM 5908 N6 A A 279 146.340 80.757 -38.018 0.00 0.00 N ATOM 5909 N1 A A 279 147.708 81.960 -36.732 0.00 0.00 N ATOM 5910 C2 A A 279 147.889 82.950 -35.857 0.00 0.00 C ATOM 5911 N3 A A 279 146.992 83.800 -35.365 0.00 0.00 N ATOM 5912 C4 A A 279 145.736 83.550 -35.825 0.00 0.00 C ATOM 5913 P C A 280 141.933 89.105 -33.453 0.00 0.00 P ATOM 5914 O1P C A 280 141.373 90.384 -33.938 0.00 0.00 O ATOM 5915 O2P C A 280 143.237 89.090 -32.766 0.00 0.00 O ATOM 5916 O5* C A 280 140.846 88.498 -32.430 0.00 0.00 O ATOM 5917 C5* C A 280 140.925 88.760 -31.036 0.00 0.00 C ATOM 5918 C4* C A 280 139.628 88.417 -30.284 0.00 0.00 C ATOM 5919 O4* C A 280 138.631 89.373 -30.646 0.00 0.00 O ATOM 5920 C3* C A 280 139.092 87.013 -30.594 0.00 0.00 C ATOM 5921 O3* C A 280 138.476 86.395 -29.464 0.00 0.00 O ATOM 5922 C2* C A 280 138.093 87.347 -31.707 0.00 0.00 C ATOM 5923 O2* C A 280 136.969 86.507 -31.746 0.00 0.00 O ATOM 5924 C1* C A 280 137.601 88.738 -31.387 0.00 0.00 C ATOM 5925 N1 C A 280 137.179 89.486 -32.615 0.00 0.00 N ATOM 5926 C2 C A 280 135.832 89.452 -32.987 0.00 0.00 C ATOM 5927 O2 C A 280 135.010 88.785 -32.374 0.00 0.00 O ATOM 5928 N3 C A 280 135.399 90.208 -34.027 0.00 0.00 N ATOM 5929 C4 C A 280 136.245 90.923 -34.726 0.00 0.00 C ATOM 5930 N4 C A 280 135.663 91.605 -35.687 0.00 0.00 N ATOM 5931 C5 C A 280 137.642 90.948 -34.446 0.00 0.00 C ATOM 5932 C6 C A 280 138.067 90.210 -33.381 0.00 0.00 C ATOM 5933 P G A 281 139.357 85.592 -28.387 0.00 0.00 P ATOM 5934 O1P G A 281 138.483 84.799 -27.494 0.00 0.00 O ATOM 5935 O2P G A 281 140.339 86.532 -27.809 0.00 0.00 O ATOM 5936 O5* G A 281 140.194 84.570 -29.290 0.00 0.00 O ATOM 5937 C5* G A 281 139.722 83.302 -29.716 0.00 0.00 C ATOM 5938 C4* G A 281 140.965 82.434 -29.932 0.00 0.00 C ATOM 5939 O4* G A 281 141.850 83.029 -30.885 0.00 0.00 O ATOM 5940 C3* G A 281 141.741 82.304 -28.622 0.00 0.00 C ATOM 5941 O3* G A 281 141.158 81.360 -27.707 0.00 0.00 O ATOM 5942 C2* G A 281 143.165 82.165 -29.163 0.00 0.00 C ATOM 5943 O2* G A 281 143.400 80.931 -29.740 0.00 0.00 O ATOM 5944 C1* G A 281 143.200 82.976 -30.437 0.00 0.00 C ATOM 5945 N9 G A 281 143.849 84.293 -30.289 0.00 0.00 N ATOM 5946 C8 G A 281 143.361 85.416 -29.675 0.00 0.00 C ATOM 5947 N7 G A 281 144.193 86.416 -29.669 0.00 0.00 N ATOM 5948 C5 G A 281 145.322 85.933 -30.335 0.00 0.00 C ATOM 5949 C6 G A 281 146.584 86.561 -30.635 0.00 0.00 C ATOM 5950 O6 G A 281 146.991 87.687 -30.376 0.00 0.00 O ATOM 5951 N1 G A 281 147.475 85.738 -31.296 0.00 0.00 N ATOM 5952 C2 G A 281 147.201 84.441 -31.616 0.00 0.00 C ATOM 5953 N2 G A 281 148.178 83.806 -32.233 0.00 0.00 N ATOM 5954 N3 G A 281 146.026 83.824 -31.388 0.00 0.00 N ATOM 5955 C4 G A 281 145.124 84.623 -30.722 0.00 0.00 C ATOM 5956 P A A 282 141.569 79.810 -27.504 0.00 0.00 P ATOM 5957 O1P A A 282 140.782 79.441 -26.305 0.00 0.00 O ATOM 5958 O2P A A 282 143.038 79.730 -27.496 0.00 0.00 O ATOM 5959 O5* A A 282 141.053 78.945 -28.756 0.00 0.00 O ATOM 5960 C5* A A 282 139.707 78.535 -28.893 0.00 0.00 C ATOM 5961 C4* A A 282 139.501 77.712 -30.176 0.00 0.00 C ATOM 5962 O4* A A 282 140.142 78.322 -31.294 0.00 0.00 O ATOM 5963 C3* A A 282 140.008 76.273 -30.104 0.00 0.00 C ATOM 5964 O3* A A 282 139.067 75.381 -29.507 0.00 0.00 O ATOM 5965 C2* A A 282 140.200 75.997 -31.606 0.00 0.00 C ATOM 5966 O2* A A 282 138.965 75.779 -32.294 0.00 0.00 O ATOM 5967 C1* A A 282 140.751 77.329 -32.121 0.00 0.00 C ATOM 5968 N9 A A 282 142.234 77.455 -32.050 0.00 0.00 N ATOM 5969 C8 A A 282 142.943 78.430 -31.400 0.00 0.00 C ATOM 5970 N7 A A 282 144.243 78.314 -31.474 0.00 0.00 N ATOM 5971 C5 A A 282 144.411 77.198 -32.301 0.00 0.00 C ATOM 5972 C6 A A 282 145.539 76.529 -32.839 0.00 0.00 C ATOM 5973 N6 A A 282 146.790 76.845 -32.559 0.00 0.00 N ATOM 5974 N1 A A 282 145.399 75.504 -33.692 0.00 0.00 N ATOM 5975 C2 A A 282 144.156 75.134 -33.985 0.00 0.00 C ATOM 5976 N3 A A 282 143.004 75.643 -33.539 0.00 0.00 N ATOM 5977 C4 A A 282 143.196 76.691 -32.687 0.00 0.00 C ATOM 5978 P U A 283 139.499 74.232 -28.474 0.00 0.00 P ATOM 5979 O1P U A 283 138.385 73.274 -28.361 0.00 0.00 O ATOM 5980 O2P U A 283 139.875 74.932 -27.224 0.00 0.00 O ATOM 5981 O5* U A 283 140.800 73.469 -29.048 0.00 0.00 O ATOM 5982 C5* U A 283 140.718 72.440 -30.033 0.00 0.00 C ATOM 5983 C4* U A 283 142.105 71.952 -30.491 0.00 0.00 C ATOM 5984 O4* U A 283 142.756 72.944 -31.275 0.00 0.00 O ATOM 5985 C3* U A 283 143.052 71.587 -29.351 0.00 0.00 C ATOM 5986 O3* U A 283 142.799 70.290 -28.833 0.00 0.00 O ATOM 5987 C2* U A 283 144.407 71.746 -30.056 0.00 0.00 C ATOM 5988 O2* U A 283 144.766 70.659 -30.900 0.00 0.00 O ATOM 5989 C1* U A 283 144.137 72.974 -30.934 0.00 0.00 C ATOM 5990 N1 U A 283 144.501 74.229 -30.220 0.00 0.00 N ATOM 5991 C2 U A 283 145.861 74.520 -30.095 0.00 0.00 C ATOM 5992 O2 U A 283 146.754 73.791 -30.526 0.00 0.00 O ATOM 5993 N3 U A 283 146.177 75.689 -29.441 0.00 0.00 N ATOM 5994 C4 U A 283 145.300 76.589 -28.891 0.00 0.00 C ATOM 5995 O4 U A 283 145.744 77.573 -28.312 0.00 0.00 O ATOM 5996 C5 U A 283 143.907 76.225 -29.052 0.00 0.00 C ATOM 5997 C6 U A 283 143.550 75.086 -29.705 0.00 0.00 C ATOM 5998 P C A 284 143.161 69.914 -27.323 0.00 0.00 P ATOM 5999 O1P C A 284 142.978 68.460 -27.107 0.00 0.00 O ATOM 6000 O2P C A 284 142.439 70.820 -26.398 0.00 0.00 O ATOM 6001 O5* C A 284 144.725 70.203 -27.182 0.00 0.00 O ATOM 6002 C5* C A 284 145.694 69.400 -27.833 0.00 0.00 C ATOM 6003 C4* C A 284 147.110 69.957 -27.622 0.00 0.00 C ATOM 6004 O4* C A 284 147.306 71.248 -28.198 0.00 0.00 O ATOM 6005 C3* C A 284 147.484 70.073 -26.149 0.00 0.00 C ATOM 6006 O3* C A 284 147.811 68.799 -25.609 0.00 0.00 O ATOM 6007 C2* C A 284 148.638 71.078 -26.262 0.00 0.00 C ATOM 6008 O2* C A 284 149.819 70.498 -26.803 0.00 0.00 O ATOM 6009 C1* C A 284 148.089 72.054 -27.310 0.00 0.00 C ATOM 6010 N1 C A 284 147.282 73.174 -26.722 0.00 0.00 N ATOM 6011 C2 C A 284 147.936 74.263 -26.108 0.00 0.00 C ATOM 6012 O2 C A 284 149.160 74.290 -25.941 0.00 0.00 O ATOM 6013 N3 C A 284 147.209 75.330 -25.671 0.00 0.00 N ATOM 6014 C4 C A 284 145.892 75.347 -25.866 0.00 0.00 C ATOM 6015 N4 C A 284 145.210 76.388 -25.455 0.00 0.00 N ATOM 6016 C5 C A 284 145.185 74.269 -26.465 0.00 0.00 C ATOM 6017 C6 C A 284 145.912 73.202 -26.866 0.00 0.00 C ATOM 6018 P C A 285 147.653 68.485 -24.042 0.00 0.00 P ATOM 6019 O1P C A 285 147.934 67.044 -23.853 0.00 0.00 O ATOM 6020 O2P C A 285 146.335 69.003 -23.618 0.00 0.00 O ATOM 6021 O5* C A 285 148.809 69.369 -23.345 0.00 0.00 O ATOM 6022 C5* C A 285 150.196 69.142 -23.561 0.00 0.00 C ATOM 6023 C4* C A 285 151.067 70.249 -22.930 0.00 0.00 C ATOM 6024 O4* C A 285 150.876 71.516 -23.570 0.00 0.00 O ATOM 6025 C3* C A 285 150.799 70.484 -21.442 0.00 0.00 C ATOM 6026 O3* C A 285 151.377 69.520 -20.564 0.00 0.00 O ATOM 6027 C2* C A 285 151.369 71.903 -21.293 0.00 0.00 C ATOM 6028 O2* C A 285 152.793 71.962 -21.286 0.00 0.00 O ATOM 6029 C1* C A 285 150.895 72.561 -22.590 0.00 0.00 C ATOM 6030 N1 C A 285 149.553 73.215 -22.441 0.00 0.00 N ATOM 6031 C2 C A 285 149.460 74.497 -21.868 0.00 0.00 C ATOM 6032 O2 C A 285 150.438 75.063 -21.373 0.00 0.00 O ATOM 6033 N3 C A 285 148.262 75.151 -21.850 0.00 0.00 N ATOM 6034 C4 C A 285 147.192 74.561 -22.379 0.00 0.00 C ATOM 6035 N4 C A 285 146.061 75.230 -22.393 0.00 0.00 N ATOM 6036 C5 C A 285 147.224 73.246 -22.919 0.00 0.00 C ATOM 6037 C6 C A 285 148.416 72.606 -22.916 0.00 0.00 C ATOM 6038 P C A 286 150.747 69.264 -19.103 0.00 0.00 P ATOM 6039 O1P C A 286 151.597 68.330 -18.326 0.00 0.00 O ATOM 6040 O2P C A 286 149.304 68.974 -19.251 0.00 0.00 O ATOM 6041 O5* C A 286 150.933 70.681 -18.376 0.00 0.00 O ATOM 6042 C5* C A 286 152.229 71.152 -18.032 0.00 0.00 C ATOM 6043 C4* C A 286 152.172 72.525 -17.357 0.00 0.00 C ATOM 6044 O4* C A 286 151.648 73.546 -18.202 0.00 0.00 O ATOM 6045 C3* C A 286 151.328 72.518 -16.089 0.00 0.00 C ATOM 6046 O3* C A 286 152.031 71.915 -15.010 0.00 0.00 O ATOM 6047 C2* C A 286 151.093 74.027 -15.952 0.00 0.00 C ATOM 6048 O2* C A 286 152.247 74.717 -15.483 0.00 0.00 O ATOM 6049 C1* C A 286 150.861 74.441 -17.411 0.00 0.00 C ATOM 6050 N1 C A 286 149.415 74.407 -17.807 0.00 0.00 N ATOM 6051 C2 C A 286 148.572 75.470 -17.434 0.00 0.00 C ATOM 6052 O2 C A 286 148.939 76.359 -16.662 0.00 0.00 O ATOM 6053 N3 C A 286 147.299 75.531 -17.912 0.00 0.00 N ATOM 6054 C4 C A 286 146.860 74.563 -18.713 0.00 0.00 C ATOM 6055 N4 C A 286 145.629 74.664 -19.156 0.00 0.00 N ATOM 6056 C5 C A 286 147.650 73.432 -19.064 0.00 0.00 C ATOM 6057 C6 C A 286 148.917 73.391 -18.591 0.00 0.00 C ATOM 6058 P U A 287 151.259 71.289 -13.761 0.00 0.00 P ATOM 6059 O1P U A 287 152.288 70.918 -12.765 0.00 0.00 O ATOM 6060 O2P U A 287 150.380 70.230 -14.303 0.00 0.00 O ATOM 6061 O5* U A 287 150.408 72.525 -13.167 0.00 0.00 O ATOM 6062 C5* U A 287 151.042 73.590 -12.463 0.00 0.00 C ATOM 6063 C4* U A 287 150.073 74.730 -12.119 0.00 0.00 C ATOM 6064 O4* U A 287 149.558 75.370 -13.285 0.00 0.00 O ATOM 6065 C3* U A 287 148.858 74.283 -11.311 0.00 0.00 C ATOM 6066 O3* U A 287 149.131 74.001 -9.942 0.00 0.00 O ATOM 6067 C2* U A 287 147.947 75.494 -11.567 0.00 0.00 C ATOM 6068 O2* U A 287 148.330 76.681 -10.875 0.00 0.00 O ATOM 6069 C1* U A 287 148.200 75.744 -13.052 0.00 0.00 C ATOM 6070 N1 U A 287 147.239 74.987 -13.908 0.00 0.00 N ATOM 6071 C2 U A 287 145.946 75.505 -14.071 0.00 0.00 C ATOM 6072 O2 U A 287 145.508 76.472 -13.444 0.00 0.00 O ATOM 6073 N3 U A 287 145.140 74.883 -15.003 0.00 0.00 N ATOM 6074 C4 U A 287 145.465 73.765 -15.736 0.00 0.00 C ATOM 6075 O4 U A 287 144.660 73.302 -16.532 0.00 0.00 O ATOM 6076 C5 U A 287 146.787 73.242 -15.467 0.00 0.00 C ATOM 6077 C6 U A 287 147.616 73.839 -14.575 0.00 0.00 C ATOM 6078 P A A 288 148.084 73.164 -9.042 0.00 0.00 P ATOM 6079 O1P A A 288 148.495 73.149 -7.627 0.00 0.00 O ATOM 6080 O2P A A 288 147.766 71.860 -9.664 0.00 0.00 O ATOM 6081 O5* A A 288 146.738 74.015 -9.134 0.00 0.00 O ATOM 6082 C5* A A 288 146.594 75.254 -8.471 0.00 0.00 C ATOM 6083 C4* A A 288 145.212 75.840 -8.768 0.00 0.00 C ATOM 6084 O4* A A 288 144.951 76.082 -10.152 0.00 0.00 O ATOM 6085 C3* A A 288 144.100 74.935 -8.262 0.00 0.00 C ATOM 6086 O3* A A 288 143.996 75.046 -6.852 0.00 0.00 O ATOM 6087 C2* A A 288 142.937 75.532 -9.050 0.00 0.00 C ATOM 6088 O2* A A 288 142.619 76.812 -8.522 0.00 0.00 O ATOM 6089 C1* A A 288 143.576 75.782 -10.419 0.00 0.00 C ATOM 6090 N9 A A 288 143.495 74.626 -11.351 0.00 0.00 N ATOM 6091 C8 A A 288 144.464 73.688 -11.613 0.00 0.00 C ATOM 6092 N7 A A 288 144.195 72.884 -12.604 0.00 0.00 N ATOM 6093 C5 A A 288 142.917 73.290 -13.001 0.00 0.00 C ATOM 6094 C6 A A 288 142.022 72.854 -14.007 0.00 0.00 C ATOM 6095 N6 A A 288 142.323 71.909 -14.887 0.00 0.00 N ATOM 6096 N1 A A 288 140.812 73.413 -14.125 0.00 0.00 N ATOM 6097 C2 A A 288 140.517 74.428 -13.317 0.00 0.00 C ATOM 6098 N3 A A 288 141.273 74.981 -12.368 0.00 0.00 N ATOM 6099 C4 A A 288 142.476 74.346 -12.242 0.00 0.00 C ATOM 6100 P G A 289 143.078 74.050 -6.019 0.00 0.00 P ATOM 6101 O1P G A 289 143.313 74.312 -4.580 0.00 0.00 O ATOM 6102 O2P G A 289 143.225 72.706 -6.600 0.00 0.00 O ATOM 6103 O5* G A 289 141.601 74.623 -6.284 0.00 0.00 O ATOM 6104 C5* G A 289 140.470 73.782 -6.182 0.00 0.00 C ATOM 6105 C4* G A 289 139.609 73.910 -7.435 0.00 0.00 C ATOM 6106 O4* G A 289 138.693 72.823 -7.455 0.00 0.00 O ATOM 6107 C3* G A 289 138.791 75.203 -7.494 0.00 0.00 C ATOM 6108 O3* G A 289 139.488 76.295 -8.102 0.00 0.00 O ATOM 6109 C2* G A 289 137.549 74.695 -8.245 0.00 0.00 C ATOM 6110 O2* G A 289 137.765 74.475 -9.636 0.00 0.00 O ATOM 6111 C1* G A 289 137.372 73.307 -7.620 0.00 0.00 C ATOM 6112 N9 G A 289 136.648 73.293 -6.319 0.00 0.00 N ATOM 6113 C8 G A 289 137.121 73.008 -5.061 0.00 0.00 C ATOM 6114 N7 G A 289 136.212 73.028 -4.125 0.00 0.00 N ATOM 6115 C5 G A 289 135.026 73.302 -4.808 0.00 0.00 C ATOM 6116 C6 G A 289 133.664 73.418 -4.350 0.00 0.00 C ATOM 6117 O6 G A 289 133.195 73.317 -3.217 0.00 0.00 O ATOM 6118 N1 G A 289 132.777 73.691 -5.376 0.00 0.00 N ATOM 6119 C2 G A 289 133.142 73.812 -6.688 0.00 0.00 C ATOM 6120 N2 G A 289 132.213 74.114 -7.563 0.00 0.00 N ATOM 6121 N3 G A 289 134.386 73.703 -7.147 0.00 0.00 N ATOM 6122 C4 G A 289 135.290 73.450 -6.156 0.00 0.00 C ATOM 6123 P C A 290 139.374 77.793 -7.515 0.00 0.00 P ATOM 6124 O1P C A 290 140.404 78.643 -8.152 0.00 0.00 O ATOM 6125 O2P C A 290 139.377 77.697 -6.041 0.00 0.00 O ATOM 6126 O5* C A 290 137.915 78.269 -7.990 0.00 0.00 O ATOM 6127 C5* C A 290 137.551 78.495 -9.342 0.00 0.00 C ATOM 6128 C4* C A 290 136.061 78.863 -9.422 0.00 0.00 C ATOM 6129 O4* C A 290 135.210 77.732 -9.167 0.00 0.00 O ATOM 6130 C3* C A 290 135.650 79.986 -8.454 0.00 0.00 C ATOM 6131 O3* C A 290 135.944 81.311 -8.913 0.00 0.00 O ATOM 6132 C2* C A 290 134.155 79.680 -8.417 0.00 0.00 C ATOM 6133 O2* C A 290 133.578 80.100 -9.643 0.00 0.00 O ATOM 6134 C1* C A 290 134.097 78.146 -8.369 0.00 0.00 C ATOM 6135 N1 C A 290 134.165 77.588 -6.975 0.00 0.00 N ATOM 6136 C2 C A 290 132.993 77.496 -6.203 0.00 0.00 C ATOM 6137 O2 C A 290 131.890 77.770 -6.675 0.00 0.00 O ATOM 6138 N3 C A 290 133.056 77.101 -4.900 0.00 0.00 N ATOM 6139 C4 C A 290 134.232 76.750 -4.388 0.00 0.00 C ATOM 6140 N4 C A 290 134.266 76.383 -3.131 0.00 0.00 N ATOM 6141 C5 C A 290 135.430 76.734 -5.155 0.00 0.00 C ATOM 6142 C6 C A 290 135.354 77.156 -6.439 0.00 0.00 C ATOM 6143 P U A 291 135.977 82.567 -7.898 0.00 0.00 P ATOM 6144 O1P U A 291 136.308 83.816 -8.650 0.00 0.00 O ATOM 6145 O2P U A 291 136.821 82.174 -6.756 0.00 0.00 O ATOM 6146 O5* U A 291 134.467 82.683 -7.333 0.00 0.00 O ATOM 6147 C5* U A 291 133.374 83.127 -8.123 0.00 0.00 C ATOM 6148 C4* U A 291 132.059 83.024 -7.335 0.00 0.00 C ATOM 6149 O4* U A 291 131.768 81.692 -6.909 0.00 0.00 O ATOM 6150 C3* U A 291 132.051 83.877 -6.069 0.00 0.00 C ATOM 6151 O3* U A 291 131.903 85.268 -6.332 0.00 0.00 O ATOM 6152 C2* U A 291 130.872 83.226 -5.338 0.00 0.00 C ATOM 6153 O2* U A 291 129.615 83.578 -5.898 0.00 0.00 O ATOM 6154 C1* U A 291 131.122 81.743 -5.634 0.00 0.00 C ATOM 6155 N1 U A 291 131.912 81.103 -4.540 0.00 0.00 N ATOM 6156 C2 U A 291 131.224 80.777 -3.365 0.00 0.00 C ATOM 6157 O2 U A 291 130.030 81.006 -3.193 0.00 0.00 O ATOM 6158 N3 U A 291 131.951 80.183 -2.357 0.00 0.00 N ATOM 6159 C4 U A 291 133.286 79.871 -2.397 0.00 0.00 C ATOM 6160 O4 U A 291 133.790 79.340 -1.415 0.00 0.00 O ATOM 6161 C5 U A 291 133.949 80.259 -3.628 0.00 0.00 C ATOM 6162 C6 U A 291 133.266 80.854 -4.645 0.00 0.00 C ATOM 6163 P G A 292 132.288 86.373 -5.230 0.00 0.00 P ATOM 6164 O1P G A 292 132.081 87.713 -5.816 0.00 0.00 O ATOM 6165 O2P G A 292 133.642 86.024 -4.706 0.00 0.00 O ATOM 6166 O5* G A 292 131.190 86.161 -4.063 0.00 0.00 O ATOM 6167 C5* G A 292 129.809 86.461 -4.268 0.00 0.00 C ATOM 6168 C4* G A 292 128.945 86.116 -3.042 0.00 0.00 C ATOM 6169 O4* G A 292 129.098 84.753 -2.668 0.00 0.00 O ATOM 6170 C3* G A 292 129.261 86.961 -1.811 0.00 0.00 C ATOM 6171 O3* G A 292 128.595 88.215 -1.836 0.00 0.00 O ATOM 6172 C2* G A 292 128.768 86.038 -0.689 0.00 0.00 C ATOM 6173 O2* G A 292 127.362 86.043 -0.484 0.00 0.00 O ATOM 6174 C1* G A 292 129.088 84.656 -1.248 0.00 0.00 C ATOM 6175 N9 G A 292 130.386 84.149 -0.756 0.00 0.00 N ATOM 6176 C8 G A 292 131.609 84.167 -1.371 0.00 0.00 C ATOM 6177 N7 G A 292 132.561 83.574 -0.698 0.00 0.00 N ATOM 6178 C5 G A 292 131.917 83.122 0.459 0.00 0.00 C ATOM 6179 C6 G A 292 132.406 82.393 1.602 0.00 0.00 C ATOM 6180 O6 G A 292 133.529 81.953 1.854 0.00 0.00 O ATOM 6181 N1 G A 292 131.432 82.190 2.558 0.00 0.00 N ATOM 6182 C2 G A 292 130.139 82.604 2.442 0.00 0.00 C ATOM 6183 N2 G A 292 129.352 82.340 3.452 0.00 0.00 N ATOM 6184 N3 G A 292 129.640 83.264 1.396 0.00 0.00 N ATOM 6185 C4 G A 292 130.586 83.497 0.436 0.00 0.00 C ATOM 6186 P G A 293 129.278 89.524 -1.229 0.00 0.00 P ATOM 6187 O1P G A 293 128.275 90.600 -1.340 0.00 0.00 O ATOM 6188 O2P G A 293 130.540 89.714 -1.981 0.00 0.00 O ATOM 6189 O5* G A 293 129.580 89.166 0.319 0.00 0.00 O ATOM 6190 C5* G A 293 130.847 89.442 0.921 0.00 0.00 C ATOM 6191 C4* G A 293 131.487 88.212 1.588 0.00 0.00 C ATOM 6192 O4* G A 293 131.735 87.181 0.634 0.00 0.00 O ATOM 6193 C3* G A 293 132.842 88.562 2.216 0.00 0.00 C ATOM 6194 O3* G A 293 132.710 89.108 3.528 0.00 0.00 O ATOM 6195 C2* G A 293 133.551 87.201 2.160 0.00 0.00 C ATOM 6196 O2* G A 293 133.154 86.318 3.202 0.00 0.00 O ATOM 6197 C1* G A 293 133.036 86.641 0.827 0.00 0.00 C ATOM 6198 N9 G A 293 133.892 87.004 -0.331 0.00 0.00 N ATOM 6199 C8 G A 293 133.570 87.746 -1.446 0.00 0.00 C ATOM 6200 N7 G A 293 134.542 87.882 -2.311 0.00 0.00 N ATOM 6201 C5 G A 293 135.578 87.147 -1.737 0.00 0.00 C ATOM 6202 C6 G A 293 136.905 86.897 -2.210 0.00 0.00 C ATOM 6203 O6 G A 293 137.425 87.268 -3.261 0.00 0.00 O ATOM 6204 N1 G A 293 137.652 86.123 -1.347 0.00 0.00 N ATOM 6205 C2 G A 293 137.176 85.588 -0.190 0.00 0.00 C ATOM 6206 N2 G A 293 138.023 84.871 0.517 0.00 0.00 N ATOM 6207 N3 G A 293 135.945 85.800 0.283 0.00 0.00 N ATOM 6208 C4 G A 293 135.188 86.591 -0.538 0.00 0.00 C ATOM 6209 P U A 294 133.695 90.242 4.095 0.00 0.00 P ATOM 6210 O1P U A 294 133.340 90.563 5.509 0.00 0.00 O ATOM 6211 O2P U A 294 133.814 91.319 3.081 0.00 0.00 O ATOM 6212 O5* U A 294 135.122 89.524 4.110 0.00 0.00 O ATOM 6213 C5* U A 294 135.411 88.495 5.034 0.00 0.00 C ATOM 6214 C4* U A 294 136.832 87.968 4.829 0.00 0.00 C ATOM 6215 O4* U A 294 136.963 87.283 3.588 0.00 0.00 O ATOM 6216 C3* U A 294 137.911 89.056 4.876 0.00 0.00 C ATOM 6217 O3* U A 294 138.207 89.422 6.224 0.00 0.00 O ATOM 6218 C2* U A 294 139.024 88.286 4.157 0.00 0.00 C ATOM 6219 O2* U A 294 139.593 87.305 5.020 0.00 0.00 O ATOM 6220 C1* U A 294 138.245 87.567 3.040 0.00 0.00 C ATOM 6221 N1 U A 294 138.128 88.351 1.769 0.00 0.00 N ATOM 6222 C2 U A 294 139.217 88.325 0.892 0.00 0.00 C ATOM 6223 O2 U A 294 140.287 87.788 1.168 0.00 0.00 O ATOM 6224 N3 U A 294 139.046 88.937 -0.334 0.00 0.00 N ATOM 6225 C4 U A 294 137.908 89.562 -0.787 0.00 0.00 C ATOM 6226 O4 U A 294 137.879 90.063 -1.907 0.00 0.00 O ATOM 6227 C5 U A 294 136.818 89.553 0.166 0.00 0.00 C ATOM 6228 C6 U A 294 136.948 88.963 1.386 0.00 0.00 C ATOM 6229 P C A 295 138.818 90.858 6.634 0.00 0.00 P ATOM 6230 O1P C A 295 139.017 90.858 8.104 0.00 0.00 O ATOM 6231 O2P C A 295 138.008 91.931 6.003 0.00 0.00 O ATOM 6232 O5* C A 295 140.261 90.935 5.945 0.00 0.00 O ATOM 6233 C5* C A 295 141.394 90.263 6.471 0.00 0.00 C ATOM 6234 C4* C A 295 142.629 90.487 5.590 0.00 0.00 C ATOM 6235 O4* C A 295 142.497 89.800 4.348 0.00 0.00 O ATOM 6236 C3* C A 295 142.914 91.957 5.248 0.00 0.00 C ATOM 6237 O3* C A 295 143.451 92.709 6.344 0.00 0.00 O ATOM 6238 C2* C A 295 143.833 91.723 4.033 0.00 0.00 C ATOM 6239 O2* C A 295 145.135 91.266 4.385 0.00 0.00 O ATOM 6240 C1* C A 295 143.109 90.575 3.319 0.00 0.00 C ATOM 6241 N1 C A 295 142.090 91.071 2.342 0.00 0.00 N ATOM 6242 C2 C A 295 142.501 91.446 1.053 0.00 0.00 C ATOM 6243 O2 C A 295 143.691 91.467 0.726 0.00 0.00 O ATOM 6244 N3 C A 295 141.571 91.823 0.136 0.00 0.00 N ATOM 6245 C4 C A 295 140.282 91.837 0.467 0.00 0.00 C ATOM 6246 N4 C A 295 139.424 92.221 -0.449 0.00 0.00 N ATOM 6247 C5 C A 295 139.819 91.516 1.776 0.00 0.00 C ATOM 6248 C6 C A 295 140.757 91.145 2.679 0.00 0.00 C ATOM 6249 P U A 296 143.488 94.326 6.377 0.00 0.00 P ATOM 6250 O1P U A 296 144.141 94.820 7.616 0.00 0.00 O ATOM 6251 O2P U A 296 142.171 94.893 6.017 0.00 0.00 O ATOM 6252 O5* U A 296 144.398 94.788 5.178 0.00 0.00 O ATOM 6253 C5* U A 296 145.769 94.467 5.048 0.00 0.00 C ATOM 6254 C4* U A 296 146.167 94.853 3.621 0.00 0.00 C ATOM 6255 O4* U A 296 145.523 94.059 2.628 0.00 0.00 O ATOM 6256 C3* U A 296 145.758 96.292 3.330 0.00 0.00 C ATOM 6257 O3* U A 296 146.672 97.192 3.922 0.00 0.00 O ATOM 6258 C2* U A 296 145.724 96.280 1.814 0.00 0.00 C ATOM 6259 O2* U A 296 147.049 96.395 1.347 0.00 0.00 O ATOM 6260 C1* U A 296 145.154 94.885 1.527 0.00 0.00 C ATOM 6261 N1 U A 296 143.672 94.924 1.314 0.00 0.00 N ATOM 6262 C2 U A 296 143.223 95.208 0.020 0.00 0.00 C ATOM 6263 O2 U A 296 143.991 95.443 -0.913 0.00 0.00 O ATOM 6264 N3 U A 296 141.856 95.221 -0.184 0.00 0.00 N ATOM 6265 C4 U A 296 140.892 95.000 0.776 0.00 0.00 C ATOM 6266 O4 U A 296 139.700 95.021 0.493 0.00 0.00 O ATOM 6267 C5 U A 296 141.422 94.720 2.092 0.00 0.00 C ATOM 6268 C6 U A 296 142.760 94.696 2.328 0.00 0.00 C ATOM 6269 P G A 297 146.231 98.677 4.249 0.00 0.00 P ATOM 6270 O1P G A 297 147.414 99.389 4.771 0.00 0.00 O ATOM 6271 O2P G A 297 144.975 98.570 5.037 0.00 0.00 O ATOM 6272 O5* G A 297 145.868 99.243 2.800 0.00 0.00 O ATOM 6273 C5* G A 297 146.870 99.580 1.855 0.00 0.00 C ATOM 6274 C4* G A 297 146.189 100.001 0.558 0.00 0.00 C ATOM 6275 O4* G A 297 145.460 98.946 -0.071 0.00 0.00 O ATOM 6276 C3* G A 297 145.192 101.132 0.779 0.00 0.00 C ATOM 6277 O3* G A 297 145.858 102.357 1.023 0.00 0.00 O ATOM 6278 C2* G A 297 144.471 101.032 -0.564 0.00 0.00 C ATOM 6279 O2* G A 297 145.302 101.453 -1.632 0.00 0.00 O ATOM 6280 C1* G A 297 144.327 99.517 -0.723 0.00 0.00 C ATOM 6281 N9 G A 297 143.055 99.023 -0.140 0.00 0.00 N ATOM 6282 C8 G A 297 142.794 98.592 1.136 0.00 0.00 C ATOM 6283 N7 G A 297 141.558 98.226 1.345 0.00 0.00 N ATOM 6284 C5 G A 297 140.924 98.489 0.119 0.00 0.00 C ATOM 6285 C6 G A 297 139.543 98.376 -0.294 0.00 0.00 C ATOM 6286 O6 G A 297 138.562 97.990 0.343 0.00 0.00 O ATOM 6287 N1 G A 297 139.322 98.781 -1.603 0.00 0.00 N ATOM 6288 C2 G A 297 140.321 99.225 -2.420 0.00 0.00 C ATOM 6289 N2 G A 297 139.971 99.590 -3.624 0.00 0.00 N ATOM 6290 N3 G A 297 141.616 99.319 -2.093 0.00 0.00 N ATOM 6291 C4 G A 297 141.848 98.952 -0.797 0.00 0.00 C ATOM 6292 P A A 298 145.223 103.494 1.937 0.00 0.00 P ATOM 6293 O1P A A 298 146.176 104.619 1.903 0.00 0.00 O ATOM 6294 O2P A A 298 144.951 102.921 3.271 0.00 0.00 O ATOM 6295 O5* A A 298 143.861 103.941 1.242 0.00 0.00 O ATOM 6296 C5* A A 298 142.804 104.498 1.995 0.00 0.00 C ATOM 6297 C4* A A 298 141.915 105.371 1.109 0.00 0.00 C ATOM 6298 O4* A A 298 142.676 106.443 0.577 0.00 0.00 O ATOM 6299 C3* A A 298 141.293 104.607 -0.052 0.00 0.00 C ATOM 6300 O3* A A 298 140.056 104.030 0.356 0.00 0.00 O ATOM 6301 C2* A A 298 141.165 105.725 -1.095 0.00 0.00 C ATOM 6302 O2* A A 298 139.964 106.478 -0.966 0.00 0.00 O ATOM 6303 C1* A A 298 142.332 106.666 -0.777 0.00 0.00 C ATOM 6304 N9 A A 298 143.518 106.457 -1.652 0.00 0.00 N ATOM 6305 C8 A A 298 144.722 105.862 -1.353 0.00 0.00 C ATOM 6306 N7 A A 298 145.597 105.894 -2.325 0.00 0.00 N ATOM 6307 C5 A A 298 144.925 106.563 -3.350 0.00 0.00 C ATOM 6308 C6 A A 298 145.259 106.943 -4.676 0.00 0.00 C ATOM 6309 N6 A A 298 146.409 106.689 -5.288 0.00 0.00 N ATOM 6310 N1 A A 298 144.369 107.579 -5.441 0.00 0.00 N ATOM 6311 C2 A A 298 143.186 107.863 -4.909 0.00 0.00 C ATOM 6312 N3 A A 298 142.737 107.590 -3.683 0.00 0.00 N ATOM 6313 C4 A A 298 143.663 106.916 -2.944 0.00 0.00 C ATOM 6314 P G A 299 139.689 102.492 0.064 0.00 0.00 P ATOM 6315 O1P G A 299 138.464 102.160 0.828 0.00 0.00 O ATOM 6316 O2P G A 299 140.920 101.691 0.231 0.00 0.00 O ATOM 6317 O5* G A 299 139.300 102.534 -1.499 0.00 0.00 O ATOM 6318 C5* G A 299 138.122 103.183 -1.937 0.00 0.00 C ATOM 6319 C4* G A 299 138.280 103.757 -3.350 0.00 0.00 C ATOM 6320 O4* G A 299 139.429 104.590 -3.407 0.00 0.00 O ATOM 6321 C3* G A 299 138.371 102.719 -4.469 0.00 0.00 C ATOM 6322 O3* G A 299 137.064 102.382 -4.953 0.00 0.00 O ATOM 6323 C2* G A 299 139.234 103.484 -5.485 0.00 0.00 C ATOM 6324 O2* G A 299 138.476 104.400 -6.268 0.00 0.00 O ATOM 6325 C1* G A 299 140.155 104.312 -4.589 0.00 0.00 C ATOM 6326 N9 G A 299 141.477 103.680 -4.320 0.00 0.00 N ATOM 6327 C8 G A 299 141.934 102.909 -3.269 0.00 0.00 C ATOM 6328 N7 G A 299 143.224 102.694 -3.280 0.00 0.00 N ATOM 6329 C5 G A 299 143.651 103.329 -4.446 0.00 0.00 C ATOM 6330 C6 G A 299 144.949 103.418 -5.047 0.00 0.00 C ATOM 6331 O6 G A 299 146.013 102.965 -4.646 0.00 0.00 O ATOM 6332 N1 G A 299 144.940 104.086 -6.257 0.00 0.00 N ATOM 6333 C2 G A 299 143.828 104.640 -6.818 0.00 0.00 C ATOM 6334 N2 G A 299 143.970 105.250 -7.972 0.00 0.00 N ATOM 6335 N3 G A 299 142.605 104.575 -6.288 0.00 0.00 N ATOM 6336 C4 G A 299 142.583 103.903 -5.099 0.00 0.00 C ATOM 6337 P A A 300 136.696 100.908 -5.493 0.00 0.00 P ATOM 6338 O1P A A 300 135.225 100.851 -5.783 0.00 0.00 O ATOM 6339 O2P A A 300 137.310 99.932 -4.560 0.00 0.00 O ATOM 6340 O5* A A 300 137.493 100.787 -6.891 0.00 0.00 O ATOM 6341 C5* A A 300 137.142 101.518 -8.052 0.00 0.00 C ATOM 6342 C4* A A 300 138.284 101.527 -9.078 0.00 0.00 C ATOM 6343 O4* A A 300 139.384 102.306 -8.609 0.00 0.00 O ATOM 6344 C3* A A 300 138.862 100.162 -9.488 0.00 0.00 C ATOM 6345 O3* A A 300 138.078 99.425 -10.421 0.00 0.00 O ATOM 6346 C2* A A 300 140.166 100.676 -10.113 0.00 0.00 C ATOM 6347 O2* A A 300 139.880 101.327 -11.348 0.00 0.00 O ATOM 6348 C1* A A 300 140.600 101.717 -9.073 0.00 0.00 C ATOM 6349 N9 A A 300 141.315 101.116 -7.912 0.00 0.00 N ATOM 6350 C8 A A 300 140.770 100.594 -6.761 0.00 0.00 C ATOM 6351 N7 A A 300 141.634 100.287 -5.838 0.00 0.00 N ATOM 6352 C5 A A 300 142.855 100.550 -6.449 0.00 0.00 C ATOM 6353 C6 A A 300 144.191 100.403 -6.028 0.00 0.00 C ATOM 6354 N6 A A 300 144.543 100.022 -4.810 0.00 0.00 N ATOM 6355 N1 A A 300 145.185 100.712 -6.861 0.00 0.00 N ATOM 6356 C2 A A 300 144.885 101.198 -8.060 0.00 0.00 C ATOM 6357 N3 A A 300 143.673 101.417 -8.586 0.00 0.00 N ATOM 6358 C4 A A 300 142.681 101.052 -7.716 0.00 0.00 C ATOM 6359 P G A 301 138.002 97.815 -10.378 0.00 0.00 P ATOM 6360 O1P G A 301 137.584 97.332 -11.711 0.00 0.00 O ATOM 6361 O2P G A 301 137.168 97.466 -9.204 0.00 0.00 O ATOM 6362 O5* G A 301 139.505 97.311 -10.085 0.00 0.00 O ATOM 6363 C5* G A 301 140.506 97.312 -11.090 0.00 0.00 C ATOM 6364 C4* G A 301 141.917 97.232 -10.485 0.00 0.00 C ATOM 6365 O4* G A 301 142.069 98.113 -9.373 0.00 0.00 O ATOM 6366 C3* G A 301 142.359 95.843 -10.024 0.00 0.00 C ATOM 6367 O3* G A 301 142.751 95.035 -11.134 0.00 0.00 O ATOM 6368 C2* G A 301 143.503 96.274 -9.085 0.00 0.00 C ATOM 6369 O2* G A 301 144.664 96.704 -9.785 0.00 0.00 O ATOM 6370 C1* G A 301 142.928 97.520 -8.412 0.00 0.00 C ATOM 6371 N9 G A 301 142.181 97.203 -7.171 0.00 0.00 N ATOM 6372 C8 G A 301 140.824 97.206 -6.958 0.00 0.00 C ATOM 6373 N7 G A 301 140.471 96.913 -5.737 0.00 0.00 N ATOM 6374 C5 G A 301 141.686 96.703 -5.077 0.00 0.00 C ATOM 6375 C6 G A 301 141.985 96.344 -3.715 0.00 0.00 C ATOM 6376 O6 G A 301 141.235 96.127 -2.766 0.00 0.00 O ATOM 6377 N1 G A 301 143.339 96.231 -3.466 0.00 0.00 N ATOM 6378 C2 G A 301 144.310 96.439 -4.395 0.00 0.00 C ATOM 6379 N2 G A 301 145.548 96.249 -3.991 0.00 0.00 N ATOM 6380 N3 G A 301 144.075 96.774 -5.666 0.00 0.00 N ATOM 6381 C4 G A 301 142.739 96.890 -5.950 0.00 0.00 C ATOM 6382 P G A 302 142.985 93.445 -11.027 0.00 0.00 P ATOM 6383 O1P G A 302 143.590 92.905 -12.261 0.00 0.00 O ATOM 6384 O2P G A 302 141.803 92.744 -10.496 0.00 0.00 O ATOM 6385 O5* G A 302 144.086 93.208 -9.911 0.00 0.00 O ATOM 6386 C5* G A 302 145.442 93.516 -10.153 0.00 0.00 C ATOM 6387 C4* G A 302 146.217 93.360 -8.853 0.00 0.00 C ATOM 6388 O4* G A 302 145.699 94.211 -7.834 0.00 0.00 O ATOM 6389 C3* G A 302 146.163 91.941 -8.291 0.00 0.00 C ATOM 6390 O3* G A 302 147.007 91.030 -8.991 0.00 0.00 O ATOM 6391 C2* G A 302 146.585 92.267 -6.860 0.00 0.00 C ATOM 6392 O2* G A 302 147.937 92.691 -6.793 0.00 0.00 O ATOM 6393 C1* G A 302 145.768 93.530 -6.585 0.00 0.00 C ATOM 6394 N9 G A 302 144.401 93.286 -6.038 0.00 0.00 N ATOM 6395 C8 G A 302 143.176 93.429 -6.646 0.00 0.00 C ATOM 6396 N7 G A 302 142.155 93.354 -5.834 0.00 0.00 N ATOM 6397 C5 G A 302 142.730 93.083 -4.590 0.00 0.00 C ATOM 6398 C6 G A 302 142.150 92.866 -3.285 0.00 0.00 C ATOM 6399 O6 G A 302 140.976 92.894 -2.911 0.00 0.00 O ATOM 6400 N1 G A 302 143.092 92.555 -2.324 0.00 0.00 N ATOM 6401 C2 G A 302 144.434 92.511 -2.557 0.00 0.00 C ATOM 6402 N2 G A 302 145.204 92.198 -1.542 0.00 0.00 N ATOM 6403 N3 G A 302 145.006 92.751 -3.735 0.00 0.00 N ATOM 6404 C4 G A 302 144.103 93.016 -4.721 0.00 0.00 C ATOM 6405 P A A 303 146.530 89.520 -9.275 0.00 0.00 P ATOM 6406 O1P A A 303 147.549 88.830 -10.106 0.00 0.00 O ATOM 6407 O2P A A 303 145.128 89.620 -9.758 0.00 0.00 O ATOM 6408 O5* A A 303 146.536 88.890 -7.788 0.00 0.00 O ATOM 6409 C5* A A 303 147.752 88.629 -7.094 0.00 0.00 C ATOM 6410 C4* A A 303 147.521 88.254 -5.622 0.00 0.00 C ATOM 6411 O4* A A 303 146.907 89.336 -4.935 0.00 0.00 O ATOM 6412 C3* A A 303 146.634 87.024 -5.398 0.00 0.00 C ATOM 6413 O3* A A 303 147.313 85.779 -5.575 0.00 0.00 O ATOM 6414 C2* A A 303 146.186 87.297 -3.954 0.00 0.00 C ATOM 6415 O2* A A 303 147.171 86.940 -2.996 0.00 0.00 O ATOM 6416 C1* A A 303 146.032 88.820 -3.947 0.00 0.00 C ATOM 6417 N9 A A 303 144.642 89.209 -4.271 0.00 0.00 N ATOM 6418 C8 A A 303 144.110 89.599 -5.476 0.00 0.00 C ATOM 6419 N7 A A 303 142.831 89.856 -5.439 0.00 0.00 N ATOM 6420 C5 A A 303 142.494 89.615 -4.104 0.00 0.00 C ATOM 6421 C6 A A 303 141.295 89.682 -3.358 0.00 0.00 C ATOM 6422 N6 A A 303 140.123 90.038 -3.856 0.00 0.00 N ATOM 6423 N1 A A 303 141.282 89.340 -2.063 0.00 0.00 N ATOM 6424 C2 A A 303 142.431 88.980 -1.500 0.00 0.00 C ATOM 6425 N3 A A 303 143.629 88.885 -2.067 0.00 0.00 N ATOM 6426 C4 A A 303 143.591 89.217 -3.388 0.00 0.00 C ATOM 6427 P U A 304 146.509 84.420 -5.914 0.00 0.00 P ATOM 6428 O1P U A 304 147.493 83.311 -6.013 0.00 0.00 O ATOM 6429 O2P U A 304 145.615 84.706 -7.054 0.00 0.00 O ATOM 6430 O5* U A 304 145.572 84.175 -4.629 0.00 0.00 O ATOM 6431 C5* U A 304 146.078 83.811 -3.357 0.00 0.00 C ATOM 6432 C4* U A 304 144.951 83.876 -2.314 0.00 0.00 C ATOM 6433 O4* U A 304 144.390 85.183 -2.198 0.00 0.00 O ATOM 6434 C3* U A 304 143.777 82.955 -2.633 0.00 0.00 C ATOM 6435 O3* U A 304 144.071 81.588 -2.386 0.00 0.00 O ATOM 6436 C2* U A 304 142.704 83.591 -1.737 0.00 0.00 C ATOM 6437 O2* U A 304 142.904 83.367 -0.346 0.00 0.00 O ATOM 6438 C1* U A 304 142.984 85.077 -1.983 0.00 0.00 C ATOM 6439 N1 U A 304 142.178 85.635 -3.114 0.00 0.00 N ATOM 6440 C2 U A 304 140.853 85.988 -2.844 0.00 0.00 C ATOM 6441 O2 U A 304 140.316 85.766 -1.760 0.00 0.00 O ATOM 6442 N3 U A 304 140.139 86.606 -3.858 0.00 0.00 N ATOM 6443 C4 U A 304 140.617 86.889 -5.119 0.00 0.00 C ATOM 6444 O4 U A 304 139.904 87.461 -5.936 0.00 0.00 O ATOM 6445 C5 U A 304 141.984 86.472 -5.338 0.00 0.00 C ATOM 6446 C6 U A 304 142.713 85.866 -4.364 0.00 0.00 C ATOM 6447 P G A 305 143.163 80.406 -2.993 0.00 0.00 P ATOM 6448 O1P G A 305 143.797 79.103 -2.707 0.00 0.00 O ATOM 6449 O2P G A 305 142.766 80.740 -4.387 0.00 0.00 O ATOM 6450 O5* G A 305 141.832 80.509 -2.135 0.00 0.00 O ATOM 6451 C5* G A 305 141.762 80.222 -0.751 0.00 0.00 C ATOM 6452 C4* G A 305 140.281 80.285 -0.361 0.00 0.00 C ATOM 6453 O4* G A 305 139.741 81.546 -0.754 0.00 0.00 O ATOM 6454 C3* G A 305 139.493 79.181 -1.080 0.00 0.00 C ATOM 6455 O3* G A 305 138.472 78.707 -0.227 0.00 0.00 O ATOM 6456 C2* G A 305 138.924 79.908 -2.298 0.00 0.00 C ATOM 6457 O2* G A 305 137.715 79.365 -2.808 0.00 0.00 O ATOM 6458 C1* G A 305 138.743 81.316 -1.743 0.00 0.00 C ATOM 6459 N9 G A 305 138.792 82.310 -2.837 0.00 0.00 N ATOM 6460 C8 G A 305 139.809 82.614 -3.707 0.00 0.00 C ATOM 6461 N7 G A 305 139.502 83.511 -4.606 0.00 0.00 N ATOM 6462 C5 G A 305 138.154 83.796 -4.347 0.00 0.00 C ATOM 6463 C6 G A 305 137.203 84.694 -4.966 0.00 0.00 C ATOM 6464 O6 G A 305 137.333 85.558 -5.837 0.00 0.00 O ATOM 6465 N1 G A 305 135.940 84.583 -4.421 0.00 0.00 N ATOM 6466 C2 G A 305 135.639 83.830 -3.340 0.00 0.00 C ATOM 6467 N2 G A 305 134.451 84.075 -2.868 0.00 0.00 N ATOM 6468 N3 G A 305 136.489 83.044 -2.692 0.00 0.00 N ATOM 6469 C4 G A 305 137.725 83.049 -3.266 0.00 0.00 C ATOM 6470 P A A 306 138.481 77.199 0.316 0.00 0.00 P ATOM 6471 O1P A A 306 139.324 76.363 -0.573 0.00 0.00 O ATOM 6472 O2P A A 306 137.091 76.806 0.602 0.00 0.00 O ATOM 6473 O5* A A 306 139.263 77.395 1.710 0.00 0.00 O ATOM 6474 C5* A A 306 140.197 76.428 2.156 0.00 0.00 C ATOM 6475 C4* A A 306 140.554 76.627 3.630 0.00 0.00 C ATOM 6476 O4* A A 306 141.236 77.853 3.864 0.00 0.00 O ATOM 6477 C3* A A 306 139.326 76.617 4.538 0.00 0.00 C ATOM 6478 O3* A A 306 138.873 75.290 4.773 0.00 0.00 O ATOM 6479 C2* A A 306 139.927 77.314 5.764 0.00 0.00 C ATOM 6480 O2* A A 306 140.785 76.444 6.498 0.00 0.00 O ATOM 6481 C1* A A 306 140.815 78.385 5.116 0.00 0.00 C ATOM 6482 N9 A A 306 140.130 79.684 4.869 0.00 0.00 N ATOM 6483 C8 A A 306 139.812 80.254 3.660 0.00 0.00 C ATOM 6484 N7 A A 306 139.369 81.483 3.731 0.00 0.00 N ATOM 6485 C5 A A 306 139.380 81.744 5.106 0.00 0.00 C ATOM 6486 C6 A A 306 139.040 82.864 5.908 0.00 0.00 C ATOM 6487 N6 A A 306 138.611 84.033 5.447 0.00 0.00 N ATOM 6488 N1 A A 306 139.136 82.808 7.238 0.00 0.00 N ATOM 6489 C2 A A 306 139.582 81.674 7.774 0.00 0.00 C ATOM 6490 N3 A A 306 139.940 80.551 7.156 0.00 0.00 N ATOM 6491 C4 A A 306 139.820 80.648 5.804 0.00 0.00 C ATOM 6492 P C A 307 137.330 74.941 5.030 0.00 0.00 P ATOM 6493 O1P C A 307 137.237 73.459 5.203 0.00 0.00 O ATOM 6494 O2P C A 307 136.536 75.589 3.975 0.00 0.00 O ATOM 6495 O5* C A 307 136.971 75.725 6.391 0.00 0.00 O ATOM 6496 C5* C A 307 137.493 75.369 7.655 0.00 0.00 C ATOM 6497 C4* C A 307 136.988 76.348 8.720 0.00 0.00 C ATOM 6498 O4* C A 307 137.481 77.668 8.514 0.00 0.00 O ATOM 6499 C3* C A 307 135.463 76.476 8.778 0.00 0.00 C ATOM 6500 O3* C A 307 134.848 75.349 9.404 0.00 0.00 O ATOM 6501 C2* C A 307 135.395 77.758 9.622 0.00 0.00 C ATOM 6502 O2* C A 307 135.683 77.427 10.976 0.00 0.00 O ATOM 6503 C1* C A 307 136.568 78.603 9.083 0.00 0.00 C ATOM 6504 N1 C A 307 136.204 79.663 8.078 0.00 0.00 N ATOM 6505 C2 C A 307 135.639 80.870 8.525 0.00 0.00 C ATOM 6506 O2 C A 307 135.402 81.051 9.717 0.00 0.00 O ATOM 6507 N3 C A 307 135.344 81.862 7.635 0.00 0.00 N ATOM 6508 C4 C A 307 135.637 81.703 6.354 0.00 0.00 C ATOM 6509 N4 C A 307 135.267 82.672 5.541 0.00 0.00 N ATOM 6510 C5 C A 307 136.270 80.525 5.856 0.00 0.00 C ATOM 6511 C6 C A 307 136.525 79.530 6.745 0.00 0.00 C ATOM 6512 P C A 308 133.367 74.832 9.061 0.00 0.00 P ATOM 6513 O1P C A 308 132.842 74.129 10.256 0.00 0.00 O ATOM 6514 O2P C A 308 133.357 74.115 7.767 0.00 0.00 O ATOM 6515 O5* C A 308 132.453 76.129 8.860 0.00 0.00 O ATOM 6516 C5* C A 308 131.715 76.686 9.929 0.00 0.00 C ATOM 6517 C4* C A 308 130.788 77.813 9.467 0.00 0.00 C ATOM 6518 O4* C A 308 131.491 78.996 9.105 0.00 0.00 O ATOM 6519 C3* C A 308 129.922 77.430 8.270 0.00 0.00 C ATOM 6520 O3* C A 308 128.850 76.588 8.659 0.00 0.00 O ATOM 6521 C2* C A 308 129.518 78.830 7.800 0.00 0.00 C ATOM 6522 O2* C A 308 128.556 79.442 8.653 0.00 0.00 O ATOM 6523 C1* C A 308 130.844 79.585 7.976 0.00 0.00 C ATOM 6524 N1 C A 308 131.727 79.514 6.768 0.00 0.00 N ATOM 6525 C2 C A 308 131.505 80.408 5.709 0.00 0.00 C ATOM 6526 O2 C A 308 130.548 81.184 5.711 0.00 0.00 O ATOM 6527 N3 C A 308 132.348 80.427 4.643 0.00 0.00 N ATOM 6528 C4 C A 308 133.343 79.551 4.590 0.00 0.00 C ATOM 6529 N4 C A 308 134.129 79.596 3.541 0.00 0.00 N ATOM 6530 C5 C A 308 133.597 78.607 5.622 0.00 0.00 C ATOM 6531 C6 C A 308 132.778 78.628 6.698 0.00 0.00 C ATOM 6532 P A A 309 128.306 75.430 7.694 0.00 0.00 P ATOM 6533 O1P A A 309 127.236 74.708 8.410 0.00 0.00 O ATOM 6534 O2P A A 309 129.483 74.697 7.171 0.00 0.00 O ATOM 6535 O5* A A 309 127.653 76.278 6.499 0.00 0.00 O ATOM 6536 C5* A A 309 126.419 76.933 6.708 0.00 0.00 C ATOM 6537 C4* A A 309 126.012 77.828 5.540 0.00 0.00 C ATOM 6538 O4* A A 309 126.914 78.914 5.315 0.00 0.00 O ATOM 6539 C3* A A 309 125.829 77.104 4.204 0.00 0.00 C ATOM 6540 O3* A A 309 124.611 76.375 4.178 0.00 0.00 O ATOM 6541 C2* A A 309 125.828 78.350 3.306 0.00 0.00 C ATOM 6542 O2* A A 309 124.615 79.079 3.504 0.00 0.00 O ATOM 6543 C1* A A 309 126.983 79.159 3.910 0.00 0.00 C ATOM 6544 N9 A A 309 128.334 78.760 3.425 0.00 0.00 N ATOM 6545 C8 A A 309 129.282 78.016 4.088 0.00 0.00 C ATOM 6546 N7 A A 309 130.443 77.959 3.498 0.00 0.00 N ATOM 6547 C5 A A 309 130.243 78.699 2.328 0.00 0.00 C ATOM 6548 C6 A A 309 131.067 79.039 1.226 0.00 0.00 C ATOM 6549 N6 A A 309 132.342 78.691 1.115 0.00 0.00 N ATOM 6550 N1 A A 309 130.577 79.778 0.218 0.00 0.00 N ATOM 6551 C2 A A 309 129.304 80.164 0.292 0.00 0.00 C ATOM 6552 N3 A A 309 128.420 79.930 1.262 0.00 0.00 N ATOM 6553 C4 A A 309 128.957 79.180 2.267 0.00 0.00 C ATOM 6554 P G A 310 124.224 75.354 3.007 0.00 0.00 P ATOM 6555 O1P G A 310 122.765 75.112 3.108 0.00 0.00 O ATOM 6556 O2P G A 310 125.144 74.195 3.003 0.00 0.00 O ATOM 6557 O5* G A 310 124.501 76.120 1.627 0.00 0.00 O ATOM 6558 C5* G A 310 123.513 76.925 1.021 0.00 0.00 C ATOM 6559 C4* G A 310 123.901 77.293 -0.408 0.00 0.00 C ATOM 6560 O4* G A 310 124.992 78.205 -0.467 0.00 0.00 O ATOM 6561 C3* G A 310 124.324 76.084 -1.240 0.00 0.00 C ATOM 6562 O3* G A 310 123.241 75.218 -1.555 0.00 0.00 O ATOM 6563 C2* G A 310 124.955 76.840 -2.412 0.00 0.00 C ATOM 6564 O2* G A 310 123.979 77.450 -3.251 0.00 0.00 O ATOM 6565 C1* G A 310 125.726 77.933 -1.659 0.00 0.00 C ATOM 6566 N9 G A 310 127.108 77.497 -1.315 0.00 0.00 N ATOM 6567 C8 G A 310 127.601 77.006 -0.133 0.00 0.00 C ATOM 6568 N7 G A 310 128.881 76.737 -0.148 0.00 0.00 N ATOM 6569 C5 G A 310 129.283 77.076 -1.443 0.00 0.00 C ATOM 6570 C6 G A 310 130.564 77.011 -2.109 0.00 0.00 C ATOM 6571 O6 G A 310 131.670 76.671 -1.695 0.00 0.00 O ATOM 6572 N1 G A 310 130.501 77.370 -3.439 0.00 0.00 N ATOM 6573 C2 G A 310 129.361 77.768 -4.057 0.00 0.00 C ATOM 6574 N2 G A 310 129.461 77.999 -5.332 0.00 0.00 N ATOM 6575 N3 G A 310 128.169 77.874 -3.474 0.00 0.00 N ATOM 6576 C4 G A 310 128.190 77.513 -2.163 0.00 0.00 C ATOM 6577 P C A 311 123.469 73.636 -1.739 0.00 0.00 P ATOM 6578 O1P C A 311 122.161 72.989 -1.941 0.00 0.00 O ATOM 6579 O2P C A 311 124.350 73.158 -0.644 0.00 0.00 O ATOM 6580 O5* C A 311 124.282 73.537 -3.120 0.00 0.00 O ATOM 6581 C5* C A 311 123.665 73.892 -4.346 0.00 0.00 C ATOM 6582 C4* C A 311 124.675 74.166 -5.460 0.00 0.00 C ATOM 6583 O4* C A 311 125.609 75.184 -5.086 0.00 0.00 O ATOM 6584 C3* C A 311 125.522 72.989 -5.958 0.00 0.00 C ATOM 6585 O3* C A 311 124.815 72.022 -6.741 0.00 0.00 O ATOM 6586 C2* C A 311 126.571 73.837 -6.704 0.00 0.00 C ATOM 6587 O2* C A 311 126.037 74.641 -7.739 0.00 0.00 O ATOM 6588 C1* C A 311 126.891 74.899 -5.661 0.00 0.00 C ATOM 6589 N1 C A 311 127.887 74.457 -4.634 0.00 0.00 N ATOM 6590 C2 C A 311 129.254 74.338 -4.964 0.00 0.00 C ATOM 6591 O2 C A 311 129.685 74.463 -6.116 0.00 0.00 O ATOM 6592 N3 C A 311 130.152 74.056 -3.979 0.00 0.00 N ATOM 6593 C4 C A 311 129.735 73.902 -2.724 0.00 0.00 C ATOM 6594 N4 C A 311 130.625 73.643 -1.799 0.00 0.00 N ATOM 6595 C5 C A 311 128.369 73.989 -2.351 0.00 0.00 C ATOM 6596 C6 C A 311 127.482 74.256 -3.333 0.00 0.00 C ATOM 6597 P C A 312 125.153 70.438 -6.639 0.00 0.00 P ATOM 6598 O1P C A 312 124.211 69.663 -7.482 0.00 0.00 O ATOM 6599 O2P C A 312 125.279 70.082 -5.196 0.00 0.00 O ATOM 6600 O5* C A 312 126.580 70.317 -7.383 0.00 0.00 O ATOM 6601 C5* C A 312 126.731 70.649 -8.764 0.00 0.00 C ATOM 6602 C4* C A 312 128.201 70.700 -9.222 0.00 0.00 C ATOM 6603 O4* C A 312 128.983 71.657 -8.513 0.00 0.00 O ATOM 6604 C3* C A 312 128.896 69.350 -9.109 0.00 0.00 C ATOM 6605 O3* C A 312 128.611 68.584 -10.277 0.00 0.00 O ATOM 6606 C2* C A 312 130.365 69.778 -8.931 0.00 0.00 C ATOM 6607 O2* C A 312 131.022 70.051 -10.163 0.00 0.00 O ATOM 6608 C1* C A 312 130.230 71.085 -8.130 0.00 0.00 C ATOM 6609 N1 C A 312 130.289 70.887 -6.644 0.00 0.00 N ATOM 6610 C2 C A 312 131.520 70.596 -6.028 0.00 0.00 C ATOM 6611 O2 C A 312 132.557 70.469 -6.687 0.00 0.00 O ATOM 6612 N3 C A 312 131.597 70.474 -4.672 0.00 0.00 N ATOM 6613 C4 C A 312 130.493 70.644 -3.947 0.00 0.00 C ATOM 6614 N4 C A 312 130.582 70.562 -2.640 0.00 0.00 N ATOM 6615 C5 C A 312 129.228 70.950 -4.517 0.00 0.00 C ATOM 6616 C6 C A 312 129.174 71.081 -5.861 0.00 0.00 C ATOM 6617 P A A 313 128.350 67.007 -10.204 0.00 0.00 P ATOM 6618 O1P A A 313 128.076 66.508 -11.573 0.00 0.00 O ATOM 6619 O2P A A 313 127.360 66.779 -9.124 0.00 0.00 O ATOM 6620 O5* A A 313 129.823 66.511 -9.770 0.00 0.00 O ATOM 6621 C5* A A 313 130.908 66.631 -10.682 0.00 0.00 C ATOM 6622 C4* A A 313 132.285 66.383 -10.059 0.00 0.00 C ATOM 6623 O4* A A 313 132.694 67.412 -9.160 0.00 0.00 O ATOM 6624 C3* A A 313 132.408 65.051 -9.328 0.00 0.00 C ATOM 6625 O3* A A 313 132.539 63.976 -10.244 0.00 0.00 O ATOM 6626 C2* A A 313 133.665 65.369 -8.513 0.00 0.00 C ATOM 6627 O2* A A 313 134.831 65.413 -9.329 0.00 0.00 O ATOM 6628 C1* A A 313 133.358 66.800 -8.062 0.00 0.00 C ATOM 6629 N9 A A 313 132.485 66.854 -6.861 0.00 0.00 N ATOM 6630 C8 A A 313 131.125 67.052 -6.776 0.00 0.00 C ATOM 6631 N7 A A 313 130.674 67.214 -5.562 0.00 0.00 N ATOM 6632 C5 A A 313 131.821 67.073 -4.779 0.00 0.00 C ATOM 6633 C6 A A 313 132.080 67.127 -3.392 0.00 0.00 C ATOM 6634 N6 A A 313 131.158 67.377 -2.478 0.00 0.00 N ATOM 6635 N1 A A 313 133.318 66.913 -2.928 0.00 0.00 N ATOM 6636 C2 A A 313 134.278 66.644 -3.804 0.00 0.00 C ATOM 6637 N3 A A 313 134.186 66.577 -5.130 0.00 0.00 N ATOM 6638 C4 A A 313 132.917 66.812 -5.559 0.00 0.00 C ATOM 6639 P C A 314 132.114 62.475 -9.854 0.00 0.00 P ATOM 6640 O1P C A 314 132.261 61.634 -11.060 0.00 0.00 O ATOM 6641 O2P C A 314 130.810 62.537 -9.153 0.00 0.00 O ATOM 6642 O5* C A 314 133.237 62.057 -8.788 0.00 0.00 O ATOM 6643 C5* C A 314 134.601 61.893 -9.126 0.00 0.00 C ATOM 6644 C4* C A 314 135.454 61.767 -7.855 0.00 0.00 C ATOM 6645 O4* C A 314 135.398 62.933 -7.036 0.00 0.00 O ATOM 6646 C3* C A 314 135.065 60.595 -6.956 0.00 0.00 C ATOM 6647 O3* C A 314 135.549 59.364 -7.472 0.00 0.00 O ATOM 6648 C2* C A 314 135.745 61.054 -5.660 0.00 0.00 C ATOM 6649 O2* C A 314 137.150 60.877 -5.764 0.00 0.00 O ATOM 6650 C1* C A 314 135.444 62.559 -5.661 0.00 0.00 C ATOM 6651 N1 C A 314 134.155 62.903 -4.975 0.00 0.00 N ATOM 6652 C2 C A 314 134.152 63.152 -3.591 0.00 0.00 C ATOM 6653 O2 C A 314 135.182 63.072 -2.915 0.00 0.00 O ATOM 6654 N3 C A 314 132.997 63.516 -2.968 0.00 0.00 N ATOM 6655 C4 C A 314 131.885 63.650 -3.683 0.00 0.00 C ATOM 6656 N4 C A 314 130.804 64.070 -3.067 0.00 0.00 N ATOM 6657 C5 C A 314 131.841 63.437 -5.087 0.00 0.00 C ATOM 6658 C6 C A 314 132.988 63.052 -5.689 0.00 0.00 C ATOM 6659 P A A 315 134.972 57.962 -6.957 0.00 0.00 P ATOM 6660 O1P A A 315 135.695 56.924 -7.723 0.00 0.00 O ATOM 6661 O2P A A 315 133.503 58.017 -7.026 0.00 0.00 O ATOM 6662 O5* A A 315 135.372 57.841 -5.408 0.00 0.00 O ATOM 6663 C5* A A 315 136.717 57.660 -4.995 0.00 0.00 C ATOM 6664 C4* A A 315 136.835 57.497 -3.468 0.00 0.00 C ATOM 6665 O4* A A 315 136.110 58.539 -2.810 0.00 0.00 O ATOM 6666 C3* A A 315 136.279 56.155 -2.971 0.00 0.00 C ATOM 6667 O3* A A 315 137.005 55.722 -1.823 0.00 0.00 O ATOM 6668 C2* A A 315 134.848 56.572 -2.610 0.00 0.00 C ATOM 6669 O2* A A 315 134.195 55.671 -1.728 0.00 0.00 O ATOM 6670 C1* A A 315 135.095 57.961 -2.009 0.00 0.00 C ATOM 6671 N9 A A 315 133.902 58.847 -1.991 0.00 0.00 N ATOM 6672 C8 A A 315 133.016 59.115 -3.008 0.00 0.00 C ATOM 6673 N7 A A 315 132.053 59.934 -2.684 0.00 0.00 N ATOM 6674 C5 A A 315 132.314 60.227 -1.343 0.00 0.00 C ATOM 6675 C6 A A 315 131.663 61.010 -0.360 0.00 0.00 C ATOM 6676 N6 A A 315 130.538 61.673 -0.582 0.00 0.00 N ATOM 6677 N1 A A 315 132.168 61.115 0.880 0.00 0.00 N ATOM 6678 C2 A A 315 133.295 60.451 1.137 0.00 0.00 C ATOM 6679 N3 A A 315 133.989 59.654 0.328 0.00 0.00 N ATOM 6680 C4 A A 315 133.446 59.585 -0.919 0.00 0.00 C ATOM 6681 P C A 316 137.424 54.177 -1.603 0.00 0.00 P ATOM 6682 O1P C A 316 136.553 53.316 -2.440 0.00 0.00 O ATOM 6683 O2P C A 316 137.506 53.902 -0.153 0.00 0.00 O ATOM 6684 O5* C A 316 138.942 54.134 -2.170 0.00 0.00 O ATOM 6685 C5* C A 316 139.951 54.963 -1.593 0.00 0.00 C ATOM 6686 C4* C A 316 141.364 54.771 -2.184 0.00 0.00 C ATOM 6687 O4* C A 316 141.986 53.548 -1.799 0.00 0.00 O ATOM 6688 C3* C A 316 141.396 54.823 -3.704 0.00 0.00 C ATOM 6689 O3* C A 316 141.504 56.154 -4.164 0.00 0.00 O ATOM 6690 C2* C A 316 142.629 53.985 -4.038 0.00 0.00 C ATOM 6691 O2* C A 316 143.856 54.695 -3.907 0.00 0.00 O ATOM 6692 C1* C A 316 142.553 52.906 -2.946 0.00 0.00 C ATOM 6693 N1 C A 316 141.739 51.712 -3.355 0.00 0.00 N ATOM 6694 C2 C A 316 142.147 50.916 -4.445 0.00 0.00 C ATOM 6695 O2 C A 316 143.168 51.163 -5.097 0.00 0.00 O ATOM 6696 N3 C A 316 141.404 49.837 -4.813 0.00 0.00 N ATOM 6697 C4 C A 316 140.316 49.527 -4.118 0.00 0.00 C ATOM 6698 N4 C A 316 139.674 48.432 -4.439 0.00 0.00 N ATOM 6699 C5 C A 316 139.888 50.266 -2.984 0.00 0.00 C ATOM 6700 C6 C A 316 140.620 51.349 -2.638 0.00 0.00 C ATOM 6701 P U A 317 140.590 56.691 -5.345 0.00 0.00 P ATOM 6702 O1P U A 317 140.696 58.165 -5.305 0.00 0.00 O ATOM 6703 O2P U A 317 139.274 56.050 -5.202 0.00 0.00 O ATOM 6704 O5* U A 317 141.258 56.112 -6.695 0.00 0.00 O ATOM 6705 C5* U A 317 142.413 56.683 -7.280 0.00 0.00 C ATOM 6706 C4* U A 317 142.815 55.923 -8.557 0.00 0.00 C ATOM 6707 O4* U A 317 143.251 54.595 -8.249 0.00 0.00 O ATOM 6708 C3* U A 317 141.693 55.792 -9.591 0.00 0.00 C ATOM 6709 O3* U A 317 141.507 56.947 -10.409 0.00 0.00 O ATOM 6710 C2* U A 317 142.184 54.559 -10.362 0.00 0.00 C ATOM 6711 O2* U A 317 143.244 54.813 -11.276 0.00 0.00 O ATOM 6712 C1* U A 317 142.784 53.695 -9.253 0.00 0.00 C ATOM 6713 N1 U A 317 141.806 52.692 -8.736 0.00 0.00 N ATOM 6714 C2 U A 317 141.572 51.551 -9.515 0.00 0.00 C ATOM 6715 O2 U A 317 142.131 51.349 -10.593 0.00 0.00 O ATOM 6716 N3 U A 317 140.667 50.632 -9.019 0.00 0.00 N ATOM 6717 C4 U A 317 139.997 50.715 -7.821 0.00 0.00 C ATOM 6718 O4 U A 317 139.252 49.802 -7.479 0.00 0.00 O ATOM 6719 C5 U A 317 140.293 51.917 -7.066 0.00 0.00 C ATOM 6720 C6 U A 317 141.164 52.853 -7.528 0.00 0.00 C ATOM 6721 P G A 318 140.127 57.183 -11.204 0.00 0.00 P ATOM 6722 O1P G A 318 140.197 58.371 -12.091 0.00 0.00 O ATOM 6723 O2P G A 318 139.000 57.072 -10.259 0.00 0.00 O ATOM 6724 O5* G A 318 140.023 55.935 -12.188 0.00 0.00 O ATOM 6725 C5* G A 318 140.804 55.857 -13.366 0.00 0.00 C ATOM 6726 C4* G A 318 140.385 54.629 -14.164 0.00 0.00 C ATOM 6727 O4* G A 318 140.710 53.414 -13.500 0.00 0.00 O ATOM 6728 C3* G A 318 138.878 54.578 -14.424 0.00 0.00 C ATOM 6729 O3* G A 318 138.442 55.559 -15.361 0.00 0.00 O ATOM 6730 C2* G A 318 138.808 53.131 -14.907 0.00 0.00 C ATOM 6731 O2* G A 318 139.314 53.050 -16.232 0.00 0.00 O ATOM 6732 C1* G A 318 139.766 52.434 -13.925 0.00 0.00 C ATOM 6733 N9 G A 318 139.036 51.890 -12.751 0.00 0.00 N ATOM 6734 C8 G A 318 138.862 52.437 -11.504 0.00 0.00 C ATOM 6735 N7 G A 318 138.144 51.709 -10.694 0.00 0.00 N ATOM 6736 C5 G A 318 137.798 50.588 -11.458 0.00 0.00 C ATOM 6737 C6 G A 318 136.997 49.423 -11.160 0.00 0.00 C ATOM 6738 O6 G A 318 136.389 49.107 -10.137 0.00 0.00 O ATOM 6739 N1 G A 318 136.920 48.535 -12.220 0.00 0.00 N ATOM 6740 C2 G A 318 137.507 48.743 -13.438 0.00 0.00 C ATOM 6741 N2 G A 318 137.295 47.845 -14.374 0.00 0.00 N ATOM 6742 N3 G A 318 138.247 49.806 -13.754 0.00 0.00 N ATOM 6743 C4 G A 318 138.357 50.694 -12.719 0.00 0.00 C ATOM 6744 P G A 319 136.891 55.941 -15.504 0.00 0.00 P ATOM 6745 O1P G A 319 136.760 56.862 -16.654 0.00 0.00 O ATOM 6746 O2P G A 319 136.478 56.411 -14.166 0.00 0.00 O ATOM 6747 O5* G A 319 136.124 54.561 -15.857 0.00 0.00 O ATOM 6748 C5* G A 319 136.216 53.989 -17.156 0.00 0.00 C ATOM 6749 C4* G A 319 135.612 52.580 -17.239 0.00 0.00 C ATOM 6750 O4* G A 319 136.211 51.677 -16.317 0.00 0.00 O ATOM 6751 C3* G A 319 134.116 52.508 -16.976 0.00 0.00 C ATOM 6752 O3* G A 319 133.346 53.020 -18.052 0.00 0.00 O ATOM 6753 C2* G A 319 133.989 50.995 -16.764 0.00 0.00 C ATOM 6754 O2* G A 319 134.124 50.237 -17.963 0.00 0.00 O ATOM 6755 C1* G A 319 135.233 50.723 -15.917 0.00 0.00 C ATOM 6756 N9 G A 319 134.904 50.835 -14.476 0.00 0.00 N ATOM 6757 C8 G A 319 135.161 51.842 -13.582 0.00 0.00 C ATOM 6758 N7 G A 319 134.704 51.613 -12.379 0.00 0.00 N ATOM 6759 C5 G A 319 134.091 50.357 -12.472 0.00 0.00 C ATOM 6760 C6 G A 319 133.406 49.526 -11.506 0.00 0.00 C ATOM 6761 O6 G A 319 133.167 49.701 -10.311 0.00 0.00 O ATOM 6762 N1 G A 319 132.954 48.336 -12.046 0.00 0.00 N ATOM 6763 C2 G A 319 133.126 47.971 -13.347 0.00 0.00 C ATOM 6764 N2 G A 319 132.569 46.845 -13.721 0.00 0.00 N ATOM 6765 N3 G A 319 133.752 48.706 -14.264 0.00 0.00 N ATOM 6766 C4 G A 319 134.217 49.886 -13.763 0.00 0.00 C ATOM 6767 P A A 320 131.831 53.497 -17.825 0.00 0.00 P ATOM 6768 O1P A A 320 131.283 53.891 -19.136 0.00 0.00 O ATOM 6769 O2P A A 320 131.854 54.494 -16.727 0.00 0.00 O ATOM 6770 O5* A A 320 131.048 52.200 -17.282 0.00 0.00 O ATOM 6771 C5* A A 320 130.797 51.074 -18.111 0.00 0.00 C ATOM 6772 C4* A A 320 130.142 49.940 -17.313 0.00 0.00 C ATOM 6773 O4* A A 320 130.886 49.631 -16.140 0.00 0.00 O ATOM 6774 C3* A A 320 128.732 50.241 -16.819 0.00 0.00 C ATOM 6775 O3* A A 320 127.762 50.164 -17.851 0.00 0.00 O ATOM 6776 C2* A A 320 128.602 49.143 -15.758 0.00 0.00 C ATOM 6777 O2* A A 320 128.411 47.840 -16.285 0.00 0.00 O ATOM 6778 C1* A A 320 130.001 49.114 -15.157 0.00 0.00 C ATOM 6779 N9 A A 320 130.075 49.918 -13.923 0.00 0.00 N ATOM 6780 C8 A A 320 130.498 51.213 -13.760 0.00 0.00 C ATOM 6781 N7 A A 320 130.446 51.639 -12.527 0.00 0.00 N ATOM 6782 C5 A A 320 129.976 50.528 -11.817 0.00 0.00 C ATOM 6783 C6 A A 320 129.722 50.247 -10.453 0.00 0.00 C ATOM 6784 N6 A A 320 129.893 51.092 -9.450 0.00 0.00 N ATOM 6785 N1 A A 320 129.262 49.042 -10.085 0.00 0.00 N ATOM 6786 C2 A A 320 129.064 48.131 -11.030 0.00 0.00 C ATOM 6787 N3 A A 320 129.270 48.244 -12.337 0.00 0.00 N ATOM 6788 C4 A A 320 129.738 49.479 -12.667 0.00 0.00 C ATOM 6789 P A A 321 126.617 51.283 -18.031 0.00 0.00 P ATOM 6790 O1P A A 321 126.119 51.190 -19.418 0.00 0.00 O ATOM 6791 O2P A A 321 127.120 52.578 -17.511 0.00 0.00 O ATOM 6792 O5* A A 321 125.439 50.805 -17.051 0.00 0.00 O ATOM 6793 C5* A A 321 124.570 49.748 -17.431 0.00 0.00 C ATOM 6794 C4* A A 321 124.410 48.726 -16.304 0.00 0.00 C ATOM 6795 O4* A A 321 125.552 48.695 -15.457 0.00 0.00 O ATOM 6796 C3* A A 321 123.202 48.974 -15.417 0.00 0.00 C ATOM 6797 O3* A A 321 122.027 48.512 -16.065 0.00 0.00 O ATOM 6798 C2* A A 321 123.628 48.176 -14.180 0.00 0.00 C ATOM 6799 O2* A A 321 123.507 46.774 -14.329 0.00 0.00 O ATOM 6800 C1* A A 321 125.131 48.425 -14.132 0.00 0.00 C ATOM 6801 N9 A A 321 125.479 49.518 -13.196 0.00 0.00 N ATOM 6802 C8 A A 321 125.876 50.813 -13.435 0.00 0.00 C ATOM 6803 N7 A A 321 126.199 51.487 -12.357 0.00 0.00 N ATOM 6804 C5 A A 321 125.979 50.558 -11.328 0.00 0.00 C ATOM 6805 C6 A A 321 126.113 50.565 -9.917 0.00 0.00 C ATOM 6806 N6 A A 321 126.549 51.583 -9.201 0.00 0.00 N ATOM 6807 N1 A A 321 125.815 49.478 -9.193 0.00 0.00 N ATOM 6808 C2 A A 321 125.402 48.396 -9.837 0.00 0.00 C ATOM 6809 N3 A A 321 125.216 48.241 -11.141 0.00 0.00 N ATOM 6810 C4 A A 321 125.531 49.368 -11.836 0.00 0.00 C ATOM 6811 P C A 322 120.567 48.876 -15.522 0.00 0.00 P ATOM 6812 O1P C A 322 119.572 48.462 -16.529 0.00 0.00 O ATOM 6813 O2P C A 322 120.627 50.281 -15.036 0.00 0.00 O ATOM 6814 O5* C A 322 120.421 47.905 -14.254 0.00 0.00 O ATOM 6815 C5* C A 322 120.297 46.495 -14.306 0.00 0.00 C ATOM 6816 C4* C A 322 120.301 45.963 -12.859 0.00 0.00 C ATOM 6817 O4* C A 322 121.492 46.327 -12.151 0.00 0.00 O ATOM 6818 C3* C A 322 119.137 46.520 -12.044 0.00 0.00 C ATOM 6819 O3* C A 322 117.914 45.851 -12.325 0.00 0.00 O ATOM 6820 C2* C A 322 119.667 46.374 -10.613 0.00 0.00 C ATOM 6821 O2* C A 322 119.608 45.062 -10.081 0.00 0.00 O ATOM 6822 C1* C A 322 121.153 46.674 -10.803 0.00 0.00 C ATOM 6823 N1 C A 322 121.476 48.097 -10.492 0.00 0.00 N ATOM 6824 C2 C A 322 121.920 48.430 -9.204 0.00 0.00 C ATOM 6825 O2 C A 322 121.918 47.605 -8.293 0.00 0.00 O ATOM 6826 N3 C A 322 122.392 49.677 -8.940 0.00 0.00 N ATOM 6827 C4 C A 322 122.435 50.563 -9.931 0.00 0.00 C ATOM 6828 N4 C A 322 122.940 51.744 -9.688 0.00 0.00 N ATOM 6829 C5 C A 322 121.944 50.293 -11.236 0.00 0.00 C ATOM 6830 C6 C A 322 121.443 49.062 -11.466 0.00 0.00 C ATOM 6831 P U A 323 116.531 46.669 -12.378 0.00 0.00 P ATOM 6832 O1P U A 323 115.458 45.759 -12.848 0.00 0.00 O ATOM 6833 O2P U A 323 116.767 47.909 -13.137 0.00 0.00 O ATOM 6834 O5* U A 323 116.318 47.024 -10.823 0.00 0.00 O ATOM 6835 C5* U A 323 116.197 46.019 -9.831 0.00 0.00 C ATOM 6836 C4* U A 323 116.242 46.590 -8.410 0.00 0.00 C ATOM 6837 O4* U A 323 117.531 47.088 -8.082 0.00 0.00 O ATOM 6838 C3* U A 323 115.279 47.743 -8.177 0.00 0.00 C ATOM 6839 O3* U A 323 113.957 47.268 -8.037 0.00 0.00 O ATOM 6840 C2* U A 323 115.892 48.356 -6.917 0.00 0.00 C ATOM 6841 O2* U A 323 115.674 47.602 -5.727 0.00 0.00 O ATOM 6842 C1* U A 323 117.378 48.233 -7.246 0.00 0.00 C ATOM 6843 N1 U A 323 117.909 49.447 -7.923 0.00 0.00 N ATOM 6844 C2 U A 323 118.417 50.473 -7.121 0.00 0.00 C ATOM 6845 O2 U A 323 118.338 50.493 -5.891 0.00 0.00 O ATOM 6846 N3 U A 323 119.046 51.505 -7.779 0.00 0.00 N ATOM 6847 C4 U A 323 119.235 51.626 -9.135 0.00 0.00 C ATOM 6848 O4 U A 323 119.880 52.565 -9.584 0.00 0.00 O ATOM 6849 C5 U A 323 118.621 50.568 -9.903 0.00 0.00 C ATOM 6850 C6 U A 323 117.979 49.538 -9.299 0.00 0.00 C ATOM 6851 P G A 324 112.705 48.079 -8.618 0.00 0.00 P ATOM 6852 O1P G A 324 111.670 47.078 -8.948 0.00 0.00 O ATOM 6853 O2P G A 324 113.204 48.967 -9.682 0.00 0.00 O ATOM 6854 O5* G A 324 112.269 48.955 -7.329 0.00 0.00 O ATOM 6855 C5* G A 324 111.884 50.319 -7.436 0.00 0.00 C ATOM 6856 C4* G A 324 112.624 51.175 -6.398 0.00 0.00 C ATOM 6857 O4* G A 324 114.038 51.016 -6.493 0.00 0.00 O ATOM 6858 C3* G A 324 112.341 52.665 -6.592 0.00 0.00 C ATOM 6859 O3* G A 324 111.162 53.085 -5.921 0.00 0.00 O ATOM 6860 C2* G A 324 113.648 53.283 -6.083 0.00 0.00 C ATOM 6861 O2* G A 324 113.821 53.261 -4.674 0.00 0.00 O ATOM 6862 C1* G A 324 114.675 52.280 -6.588 0.00 0.00 C ATOM 6863 N9 G A 324 115.109 52.511 -7.981 0.00 0.00 N ATOM 6864 C8 G A 324 114.785 51.789 -9.103 0.00 0.00 C ATOM 6865 N7 G A 324 115.396 52.174 -10.184 0.00 0.00 N ATOM 6866 C5 G A 324 116.167 53.252 -9.758 0.00 0.00 C ATOM 6867 C6 G A 324 117.051 54.105 -10.493 0.00 0.00 C ATOM 6868 O6 G A 324 117.355 54.089 -11.683 0.00 0.00 O ATOM 6869 N1 G A 324 117.628 55.063 -9.693 0.00 0.00 N ATOM 6870 C2 G A 324 117.458 55.174 -8.350 0.00 0.00 C ATOM 6871 N2 G A 324 118.145 56.137 -7.774 0.00 0.00 N ATOM 6872 N3 G A 324 116.681 54.370 -7.616 0.00 0.00 N ATOM 6873 C4 G A 324 116.029 53.446 -8.396 0.00 0.00 C ATOM 6874 P A A 325 109.855 53.538 -6.749 0.00 0.00 P ATOM 6875 O1P A A 325 108.678 53.578 -5.861 0.00 0.00 O ATOM 6876 O2P A A 325 109.775 52.787 -8.022 0.00 0.00 O ATOM 6877 O5* A A 325 110.246 55.048 -7.087 0.00 0.00 O ATOM 6878 C5* A A 325 109.516 55.796 -8.033 0.00 0.00 C ATOM 6879 C4* A A 325 109.974 57.253 -8.008 0.00 0.00 C ATOM 6880 O4* A A 325 109.686 57.867 -6.757 0.00 0.00 O ATOM 6881 C3* A A 325 111.477 57.381 -8.213 0.00 0.00 C ATOM 6882 O3* A A 325 111.843 57.310 -9.577 0.00 0.00 O ATOM 6883 C2* A A 325 111.728 58.753 -7.600 0.00 0.00 C ATOM 6884 O2* A A 325 111.407 59.818 -8.492 0.00 0.00 O ATOM 6885 C1* A A 325 110.729 58.783 -6.441 0.00 0.00 C ATOM 6886 N9 A A 325 111.370 58.460 -5.140 0.00 0.00 N ATOM 6887 C8 A A 325 111.340 57.300 -4.405 0.00 0.00 C ATOM 6888 N7 A A 325 111.865 57.416 -3.211 0.00 0.00 N ATOM 6889 C5 A A 325 112.311 58.740 -3.160 0.00 0.00 C ATOM 6890 C6 A A 325 112.958 59.561 -2.194 0.00 0.00 C ATOM 6891 N6 A A 325 113.291 59.227 -0.958 0.00 0.00 N ATOM 6892 N1 A A 325 113.261 60.831 -2.478 0.00 0.00 N ATOM 6893 C2 A A 325 112.931 61.297 -3.673 0.00 0.00 C ATOM 6894 N3 A A 325 112.322 60.660 -4.670 0.00 0.00 N ATOM 6895 C4 A A 325 112.032 59.369 -4.347 0.00 0.00 C ATOM 6896 P G A 326 113.263 56.696 -10.000 0.00 0.00 P ATOM 6897 O1P G A 326 113.374 56.824 -11.464 0.00 0.00 O ATOM 6898 O2P G A 326 113.401 55.385 -9.333 0.00 0.00 O ATOM 6899 O5* G A 326 114.314 57.701 -9.318 0.00 0.00 O ATOM 6900 C5* G A 326 114.602 58.975 -9.860 0.00 0.00 C ATOM 6901 C4* G A 326 115.461 59.776 -8.873 0.00 0.00 C ATOM 6902 O4* G A 326 114.781 59.885 -7.633 0.00 0.00 O ATOM 6903 C3* G A 326 116.825 59.140 -8.614 0.00 0.00 C ATOM 6904 O3* G A 326 117.803 59.654 -9.502 0.00 0.00 O ATOM 6905 C2* G A 326 117.092 59.502 -7.149 0.00 0.00 C ATOM 6906 O2* G A 326 117.701 60.770 -6.937 0.00 0.00 O ATOM 6907 C1* G A 326 115.676 59.590 -6.581 0.00 0.00 C ATOM 6908 N9 G A 326 115.322 58.375 -5.819 0.00 0.00 N ATOM 6909 C8 G A 326 114.787 57.163 -6.191 0.00 0.00 C ATOM 6910 N7 G A 326 114.608 56.340 -5.194 0.00 0.00 N ATOM 6911 C5 G A 326 115.092 57.037 -4.086 0.00 0.00 C ATOM 6912 C6 G A 326 115.230 56.660 -2.709 0.00 0.00 C ATOM 6913 O6 G A 326 114.922 55.600 -2.166 0.00 0.00 O ATOM 6914 N1 G A 326 115.863 57.638 -1.955 0.00 0.00 N ATOM 6915 C2 G A 326 116.243 58.864 -2.444 0.00 0.00 C ATOM 6916 N2 G A 326 116.751 59.772 -1.642 0.00 0.00 N ATOM 6917 N3 G A 326 116.118 59.245 -3.708 0.00 0.00 N ATOM 6918 C4 G A 326 115.544 58.276 -4.477 0.00 0.00 C ATOM 6919 P A A 327 118.941 58.727 -10.146 0.00 0.00 P ATOM 6920 O1P A A 327 119.714 59.528 -11.113 0.00 0.00 O ATOM 6921 O2P A A 327 118.329 57.457 -10.566 0.00 0.00 O ATOM 6922 O5* A A 327 119.896 58.341 -8.908 0.00 0.00 O ATOM 6923 C5* A A 327 120.690 59.321 -8.266 0.00 0.00 C ATOM 6924 C4* A A 327 121.994 58.738 -7.695 0.00 0.00 C ATOM 6925 O4* A A 327 121.686 57.827 -6.641 0.00 0.00 O ATOM 6926 C3* A A 327 122.862 58.008 -8.738 0.00 0.00 C ATOM 6927 O3* A A 327 124.240 58.314 -8.534 0.00 0.00 O ATOM 6928 C2* A A 327 122.501 56.549 -8.420 0.00 0.00 C ATOM 6929 O2* A A 327 123.445 55.567 -8.828 0.00 0.00 O ATOM 6930 C1* A A 327 122.294 56.575 -6.903 0.00 0.00 C ATOM 6931 N9 A A 327 121.465 55.447 -6.381 0.00 0.00 N ATOM 6932 C8 A A 327 120.692 54.556 -7.084 0.00 0.00 C ATOM 6933 N7 A A 327 120.114 53.647 -6.352 0.00 0.00 N ATOM 6934 C5 A A 327 120.552 53.918 -5.065 0.00 0.00 C ATOM 6935 C6 A A 327 120.338 53.300 -3.807 0.00 0.00 C ATOM 6936 N6 A A 327 119.594 52.216 -3.612 0.00 0.00 N ATOM 6937 N1 A A 327 120.919 53.806 -2.718 0.00 0.00 N ATOM 6938 C2 A A 327 121.693 54.881 -2.858 0.00 0.00 C ATOM 6939 N3 A A 327 121.987 55.548 -3.978 0.00 0.00 N ATOM 6940 C4 A A 327 121.374 55.017 -5.068 0.00 0.00 C ATOM 6941 P C A 328 124.921 59.633 -9.167 0.00 0.00 P ATOM 6942 O1P C A 328 125.054 60.656 -8.104 0.00 0.00 O ATOM 6943 O2P C A 328 124.285 59.969 -10.452 0.00 0.00 O ATOM 6944 O5* C A 328 126.450 59.222 -9.460 0.00 0.00 O ATOM 6945 C5* C A 328 126.846 58.488 -10.610 0.00 0.00 C ATOM 6946 C4* C A 328 126.537 56.990 -10.514 0.00 0.00 C ATOM 6947 O4* C A 328 125.567 56.593 -11.464 0.00 0.00 O ATOM 6948 C3* C A 328 127.761 56.135 -10.884 0.00 0.00 C ATOM 6949 O3* C A 328 128.809 56.032 -9.916 0.00 0.00 O ATOM 6950 C2* C A 328 127.163 54.880 -11.538 0.00 0.00 C ATOM 6951 O2* C A 328 127.371 53.678 -10.858 0.00 0.00 O ATOM 6952 C1* C A 328 125.663 55.187 -11.484 0.00 0.00 C ATOM 6953 N1 C A 328 124.750 54.561 -12.486 0.00 0.00 N ATOM 6954 C2 C A 328 125.088 54.408 -13.847 0.00 0.00 C ATOM 6955 O2 C A 328 126.121 54.851 -14.363 0.00 0.00 O ATOM 6956 N3 C A 328 124.241 53.744 -14.670 0.00 0.00 N ATOM 6957 C4 C A 328 123.090 53.291 -14.213 0.00 0.00 C ATOM 6958 N4 C A 328 122.398 52.639 -15.112 0.00 0.00 N ATOM 6959 C5 C A 328 122.658 53.486 -12.863 0.00 0.00 C ATOM 6960 C6 C A 328 123.520 54.134 -12.040 0.00 0.00 C ATOM 6961 P A A 329 128.717 55.372 -8.439 0.00 0.00 P ATOM 6962 O1P A A 329 129.720 56.059 -7.600 0.00 0.00 O ATOM 6963 O2P A A 329 128.827 53.902 -8.491 0.00 0.00 O ATOM 6964 O5* A A 329 127.278 55.749 -7.825 0.00 0.00 O ATOM 6965 C5* A A 329 127.047 56.937 -7.066 0.00 0.00 C ATOM 6966 C4* A A 329 126.511 56.551 -5.692 0.00 0.00 C ATOM 6967 O4* A A 329 125.322 55.815 -5.825 0.00 0.00 O ATOM 6968 C3* A A 329 127.505 55.642 -4.960 0.00 0.00 C ATOM 6969 O3* A A 329 128.539 56.320 -4.248 0.00 0.00 O ATOM 6970 C2* A A 329 126.628 54.643 -4.197 0.00 0.00 C ATOM 6971 O2* A A 329 126.639 54.842 -2.801 0.00 0.00 O ATOM 6972 C1* A A 329 125.223 54.899 -4.754 0.00 0.00 C ATOM 6973 N9 A A 329 124.564 53.691 -5.298 0.00 0.00 N ATOM 6974 C8 A A 329 124.370 53.354 -6.613 0.00 0.00 C ATOM 6975 N7 A A 329 123.573 52.336 -6.809 0.00 0.00 N ATOM 6976 C5 A A 329 123.292 51.912 -5.497 0.00 0.00 C ATOM 6977 C6 A A 329 122.568 50.837 -4.917 0.00 0.00 C ATOM 6978 N6 A A 329 121.915 49.890 -5.571 0.00 0.00 N ATOM 6979 N1 A A 329 122.530 50.675 -3.592 0.00 0.00 N ATOM 6980 C2 A A 329 123.175 51.554 -2.832 0.00 0.00 C ATOM 6981 N3 A A 329 123.897 52.596 -3.227 0.00 0.00 N ATOM 6982 C4 A A 329 123.916 52.721 -4.580 0.00 0.00 C ATOM 6983 P C A 330 128.341 57.769 -3.528 0.00 0.00 P ATOM 6984 O1P C A 330 127.012 57.872 -2.892 0.00 0.00 O ATOM 6985 O2P C A 330 128.742 58.804 -4.507 0.00 0.00 O ATOM 6986 O5* C A 330 129.449 57.620 -2.379 0.00 0.00 O ATOM 6987 C5* C A 330 129.240 56.722 -1.304 0.00 0.00 C ATOM 6988 C4* C A 330 130.581 56.099 -0.913 0.00 0.00 C ATOM 6989 O4* C A 330 131.538 57.057 -0.461 0.00 0.00 O ATOM 6990 C3* C A 330 130.398 55.079 0.205 0.00 0.00 C ATOM 6991 O3* C A 330 130.213 53.766 -0.286 0.00 0.00 O ATOM 6992 C2* C A 330 131.703 55.208 0.985 0.00 0.00 C ATOM 6993 O2* C A 330 132.756 54.431 0.417 0.00 0.00 O ATOM 6994 C1* C A 330 131.988 56.714 0.843 0.00 0.00 C ATOM 6995 N1 C A 330 131.332 57.516 1.929 0.00 0.00 N ATOM 6996 C2 C A 330 131.869 57.417 3.220 0.00 0.00 C ATOM 6997 O2 C A 330 132.883 56.753 3.406 0.00 0.00 O ATOM 6998 N3 C A 330 131.263 58.041 4.263 0.00 0.00 N ATOM 6999 C4 C A 330 130.160 58.735 4.051 0.00 0.00 C ATOM 7000 N4 C A 330 129.611 59.278 5.109 0.00 0.00 N ATOM 7001 C5 C A 330 129.615 58.933 2.749 0.00 0.00 C ATOM 7002 C6 C A 330 130.244 58.330 1.709 0.00 0.00 C ATOM 7003 P G A 331 129.082 52.833 0.347 0.00 0.00 P ATOM 7004 O1P G A 331 129.218 51.494 -0.258 0.00 0.00 O ATOM 7005 O2P G A 331 127.804 53.563 0.265 0.00 0.00 O ATOM 7006 O5* G A 331 129.544 52.752 1.888 0.00 0.00 O ATOM 7007 C5* G A 331 130.659 51.970 2.284 0.00 0.00 C ATOM 7008 C4* G A 331 130.624 51.658 3.784 0.00 0.00 C ATOM 7009 O4* G A 331 130.961 52.804 4.549 0.00 0.00 O ATOM 7010 C3* G A 331 129.259 51.173 4.281 0.00 0.00 C ATOM 7011 O3* G A 331 129.022 49.808 3.965 0.00 0.00 O ATOM 7012 C2* G A 331 129.393 51.478 5.777 0.00 0.00 C ATOM 7013 O2* G A 331 130.138 50.510 6.507 0.00 0.00 O ATOM 7014 C1* G A 331 130.213 52.775 5.758 0.00 0.00 C ATOM 7015 N9 G A 331 129.345 53.968 5.817 0.00 0.00 N ATOM 7016 C8 G A 331 129.037 54.862 4.824 0.00 0.00 C ATOM 7017 N7 G A 331 128.305 55.865 5.219 0.00 0.00 N ATOM 7018 C5 G A 331 128.084 55.603 6.569 0.00 0.00 C ATOM 7019 C6 G A 331 127.341 56.327 7.558 0.00 0.00 C ATOM 7020 O6 G A 331 126.724 57.387 7.460 0.00 0.00 O ATOM 7021 N1 G A 331 127.355 55.710 8.793 0.00 0.00 N ATOM 7022 C2 G A 331 128.006 54.546 9.076 0.00 0.00 C ATOM 7023 N2 G A 331 127.886 54.067 10.297 0.00 0.00 N ATOM 7024 N3 G A 331 128.713 53.852 8.183 0.00 0.00 N ATOM 7025 C4 G A 331 128.713 54.435 6.944 0.00 0.00 C ATOM 7026 P G A 332 127.571 49.116 4.097 0.00 0.00 P ATOM 7027 O1P G A 332 126.487 50.122 4.213 0.00 0.00 O ATOM 7028 O2P G A 332 127.614 48.057 5.119 0.00 0.00 O ATOM 7029 O5* G A 332 127.349 48.355 2.714 0.00 0.00 O ATOM 7030 C5* G A 332 127.413 49.014 1.467 0.00 0.00 C ATOM 7031 C4* G A 332 126.545 48.209 0.501 0.00 0.00 C ATOM 7032 O4* G A 332 125.619 49.073 -0.145 0.00 0.00 O ATOM 7033 C3* G A 332 127.296 47.454 -0.596 0.00 0.00 C ATOM 7034 O3* G A 332 127.898 46.242 -0.161 0.00 0.00 O ATOM 7035 C2* G A 332 126.135 47.258 -1.580 0.00 0.00 C ATOM 7036 O2* G A 332 125.192 46.265 -1.200 0.00 0.00 O ATOM 7037 C1* G A 332 125.427 48.609 -1.469 0.00 0.00 C ATOM 7038 N9 G A 332 125.995 49.560 -2.444 0.00 0.00 N ATOM 7039 C8 G A 332 126.770 50.677 -2.250 0.00 0.00 C ATOM 7040 N7 G A 332 127.092 51.293 -3.355 0.00 0.00 N ATOM 7041 C5 G A 332 126.465 50.542 -4.350 0.00 0.00 C ATOM 7042 C6 G A 332 126.395 50.716 -5.770 0.00 0.00 C ATOM 7043 O6 G A 332 126.891 51.592 -6.470 0.00 0.00 O ATOM 7044 N1 G A 332 125.633 49.746 -6.401 0.00 0.00 N ATOM 7045 C2 G A 332 125.028 48.711 -5.757 0.00 0.00 C ATOM 7046 N2 G A 332 124.273 47.891 -6.451 0.00 0.00 N ATOM 7047 N3 G A 332 125.083 48.509 -4.445 0.00 0.00 N ATOM 7048 C4 G A 332 125.807 49.469 -3.796 0.00 0.00 C ATOM 7049 P U A 333 129.081 45.539 -1.002 0.00 0.00 P ATOM 7050 O1P U A 333 129.492 44.293 -0.318 0.00 0.00 O ATOM 7051 O2P U A 333 130.088 46.567 -1.346 0.00 0.00 O ATOM 7052 O5* U A 333 128.342 45.133 -2.362 0.00 0.00 O ATOM 7053 C5* U A 333 127.444 44.045 -2.437 0.00 0.00 C ATOM 7054 C4* U A 333 127.034 43.837 -3.898 0.00 0.00 C ATOM 7055 O4* U A 333 126.405 44.993 -4.451 0.00 0.00 O ATOM 7056 C3* U A 333 128.239 43.526 -4.781 0.00 0.00 C ATOM 7057 O3* U A 333 128.699 42.190 -4.609 0.00 0.00 O ATOM 7058 C2* U A 333 127.652 43.892 -6.153 0.00 0.00 C ATOM 7059 O2* U A 333 126.741 42.938 -6.696 0.00 0.00 O ATOM 7060 C1* U A 333 126.848 45.155 -5.798 0.00 0.00 C ATOM 7061 N1 U A 333 127.645 46.405 -6.001 0.00 0.00 N ATOM 7062 C2 U A 333 127.801 46.861 -7.316 0.00 0.00 C ATOM 7063 O2 U A 333 127.342 46.260 -8.286 0.00 0.00 O ATOM 7064 N3 U A 333 128.510 48.034 -7.492 0.00 0.00 N ATOM 7065 C4 U A 333 129.072 48.803 -6.501 0.00 0.00 C ATOM 7066 O4 U A 333 129.713 49.805 -6.801 0.00 0.00 O ATOM 7067 C5 U A 333 128.853 48.288 -5.166 0.00 0.00 C ATOM 7068 C6 U A 333 128.173 47.130 -4.952 0.00 0.00 C ATOM 7069 P C A 334 130.226 41.771 -4.910 0.00 0.00 P ATOM 7070 O1P C A 334 130.423 40.345 -4.555 0.00 0.00 O ATOM 7071 O2P C A 334 131.137 42.799 -4.363 0.00 0.00 O ATOM 7072 O5* C A 334 130.253 41.880 -6.502 0.00 0.00 O ATOM 7073 C5* C A 334 129.497 41.002 -7.309 0.00 0.00 C ATOM 7074 C4* C A 334 129.766 41.273 -8.788 0.00 0.00 C ATOM 7075 O4* C A 334 129.242 42.515 -9.260 0.00 0.00 O ATOM 7076 C3* C A 334 131.256 41.269 -9.119 0.00 0.00 C ATOM 7077 O3* C A 334 131.770 39.949 -9.158 0.00 0.00 O ATOM 7078 C2* C A 334 131.175 41.945 -10.483 0.00 0.00 C ATOM 7079 O2* C A 334 130.639 41.029 -11.440 0.00 0.00 O ATOM 7080 C1* C A 334 130.159 43.071 -10.206 0.00 0.00 C ATOM 7081 N1 C A 334 130.773 44.335 -9.668 0.00 0.00 N ATOM 7082 C2 C A 334 131.250 45.318 -10.558 0.00 0.00 C ATOM 7083 O2 C A 334 131.273 45.125 -11.780 0.00 0.00 O ATOM 7084 N3 C A 334 131.693 46.517 -10.075 0.00 0.00 N ATOM 7085 C4 C A 334 131.642 46.752 -8.763 0.00 0.00 C ATOM 7086 N4 C A 334 132.062 47.910 -8.309 0.00 0.00 N ATOM 7087 C5 C A 334 131.194 45.784 -7.826 0.00 0.00 C ATOM 7088 C6 C A 334 130.779 44.593 -8.314 0.00 0.00 C ATOM 7089 P C A 335 133.316 39.652 -8.933 0.00 0.00 P ATOM 7090 O1P C A 335 133.455 38.183 -8.955 0.00 0.00 O ATOM 7091 O2P C A 335 133.706 40.312 -7.674 0.00 0.00 O ATOM 7092 O5* C A 335 134.078 40.286 -10.179 0.00 0.00 O ATOM 7093 C5* C A 335 133.909 39.755 -11.475 0.00 0.00 C ATOM 7094 C4* C A 335 134.632 40.607 -12.516 0.00 0.00 C ATOM 7095 O4* C A 335 134.017 41.877 -12.723 0.00 0.00 O ATOM 7096 C3* C A 335 136.108 40.874 -12.201 0.00 0.00 C ATOM 7097 O3* C A 335 136.898 39.714 -12.430 0.00 0.00 O ATOM 7098 C2* C A 335 136.309 42.008 -13.212 0.00 0.00 C ATOM 7099 O2* C A 335 136.328 41.454 -14.526 0.00 0.00 O ATOM 7100 C1* C A 335 135.028 42.842 -13.012 0.00 0.00 C ATOM 7101 N1 C A 335 135.086 43.848 -11.893 0.00 0.00 N ATOM 7102 C2 C A 335 135.506 45.169 -12.145 0.00 0.00 C ATOM 7103 O2 C A 335 135.934 45.519 -13.245 0.00 0.00 O ATOM 7104 N3 C A 335 135.444 46.109 -11.164 0.00 0.00 N ATOM 7105 C4 C A 335 134.973 45.769 -9.969 0.00 0.00 C ATOM 7106 N4 C A 335 134.947 46.694 -9.038 0.00 0.00 N ATOM 7107 C5 C A 335 134.518 44.457 -9.660 0.00 0.00 C ATOM 7108 C6 C A 335 134.607 43.529 -10.640 0.00 0.00 C ATOM 7109 P A A 336 138.439 39.612 -12.005 0.00 0.00 P ATOM 7110 O1P A A 336 138.929 38.314 -12.510 0.00 0.00 O ATOM 7111 O2P A A 336 138.590 39.860 -10.559 0.00 0.00 O ATOM 7112 O5* A A 336 139.261 40.807 -12.686 0.00 0.00 O ATOM 7113 C5* A A 336 139.568 40.840 -14.071 0.00 0.00 C ATOM 7114 C4* A A 336 140.199 42.189 -14.453 0.00 0.00 C ATOM 7115 O4* A A 336 139.291 43.284 -14.348 0.00 0.00 O ATOM 7116 C3* A A 336 141.374 42.575 -13.563 0.00 0.00 C ATOM 7117 O3* A A 336 142.537 41.793 -13.775 0.00 0.00 O ATOM 7118 C2* A A 336 141.493 44.061 -13.907 0.00 0.00 C ATOM 7119 O2* A A 336 142.009 44.309 -15.209 0.00 0.00 O ATOM 7120 C1* A A 336 140.009 44.438 -13.900 0.00 0.00 C ATOM 7121 N9 A A 336 139.557 44.812 -12.538 0.00 0.00 N ATOM 7122 C8 A A 336 138.874 44.051 -11.620 0.00 0.00 C ATOM 7123 N7 A A 336 138.515 44.689 -10.544 0.00 0.00 N ATOM 7124 C5 A A 336 139.068 45.959 -10.735 0.00 0.00 C ATOM 7125 C6 A A 336 139.123 47.130 -9.951 0.00 0.00 C ATOM 7126 N6 A A 336 138.510 47.251 -8.787 0.00 0.00 N ATOM 7127 N1 A A 336 139.823 48.197 -10.373 0.00 0.00 N ATOM 7128 C2 A A 336 140.432 48.118 -11.552 0.00 0.00 C ATOM 7129 N3 A A 336 140.443 47.098 -12.406 0.00 0.00 N ATOM 7130 C4 A A 336 139.737 46.033 -11.929 0.00 0.00 C ATOM 7131 P G A 337 143.569 41.550 -12.571 0.00 0.00 P ATOM 7132 O1P G A 337 144.691 40.706 -13.027 0.00 0.00 O ATOM 7133 O2P G A 337 142.767 41.128 -11.392 0.00 0.00 O ATOM 7134 O5* G A 337 144.116 43.037 -12.309 0.00 0.00 O ATOM 7135 C5* G A 337 144.934 43.694 -13.269 0.00 0.00 C ATOM 7136 C4* G A 337 145.382 45.071 -12.773 0.00 0.00 C ATOM 7137 O4* G A 337 144.289 45.964 -12.614 0.00 0.00 O ATOM 7138 C3* G A 337 146.088 44.993 -11.426 0.00 0.00 C ATOM 7139 O3* G A 337 147.412 44.512 -11.577 0.00 0.00 O ATOM 7140 C2* G A 337 145.947 46.441 -10.954 0.00 0.00 C ATOM 7141 O2* G A 337 146.848 47.356 -11.559 0.00 0.00 O ATOM 7142 C1* G A 337 144.537 46.759 -11.463 0.00 0.00 C ATOM 7143 N9 G A 337 143.531 46.471 -10.420 0.00 0.00 N ATOM 7144 C8 G A 337 142.700 45.392 -10.258 0.00 0.00 C ATOM 7145 N7 G A 337 141.904 45.483 -9.226 0.00 0.00 N ATOM 7146 C5 G A 337 142.240 46.717 -8.651 0.00 0.00 C ATOM 7147 C6 G A 337 141.736 47.420 -7.498 0.00 0.00 C ATOM 7148 O6 G A 337 140.823 47.124 -6.725 0.00 0.00 O ATOM 7149 N1 G A 337 142.431 48.591 -7.237 0.00 0.00 N ATOM 7150 C2 G A 337 143.441 49.072 -8.023 0.00 0.00 C ATOM 7151 N2 G A 337 144.050 50.180 -7.672 0.00 0.00 N ATOM 7152 N3 G A 337 143.895 48.482 -9.120 0.00 0.00 N ATOM 7153 C4 G A 337 143.258 47.304 -9.373 0.00 0.00 C ATOM 7154 P A A 338 148.135 43.676 -10.419 0.00 0.00 P ATOM 7155 O1P A A 338 149.413 43.159 -10.944 0.00 0.00 O ATOM 7156 O2P A A 338 147.141 42.747 -9.830 0.00 0.00 O ATOM 7157 O5* A A 338 148.439 44.801 -9.327 0.00 0.00 O ATOM 7158 C5* A A 338 149.425 45.783 -9.545 0.00 0.00 C ATOM 7159 C4* A A 338 149.354 46.854 -8.453 0.00 0.00 C ATOM 7160 O4* A A 338 148.100 47.530 -8.470 0.00 0.00 O ATOM 7161 C3* A A 338 149.552 46.291 -7.051 0.00 0.00 C ATOM 7162 O3* A A 338 150.931 46.147 -6.766 0.00 0.00 O ATOM 7163 C2* A A 338 148.848 47.363 -6.214 0.00 0.00 C ATOM 7164 O2* A A 338 149.604 48.550 -5.991 0.00 0.00 O ATOM 7165 C1* A A 338 147.677 47.726 -7.126 0.00 0.00 C ATOM 7166 N9 A A 338 146.481 46.911 -6.802 0.00 0.00 N ATOM 7167 C8 A A 338 145.998 45.759 -7.380 0.00 0.00 C ATOM 7168 N7 A A 338 144.869 45.335 -6.876 0.00 0.00 N ATOM 7169 C5 A A 338 144.599 46.269 -5.873 0.00 0.00 C ATOM 7170 C6 A A 338 143.566 46.428 -4.921 0.00 0.00 C ATOM 7171 N6 A A 338 142.498 45.649 -4.857 0.00 0.00 N ATOM 7172 N1 A A 338 143.617 47.424 -4.029 0.00 0.00 N ATOM 7173 C2 A A 338 144.638 48.272 -4.096 0.00 0.00 C ATOM 7174 N3 A A 338 145.671 48.253 -4.932 0.00 0.00 N ATOM 7175 C4 A A 338 145.589 47.212 -5.805 0.00 0.00 C ATOM 7176 P C A 339 151.485 44.950 -5.867 0.00 0.00 P ATOM 7177 O1P C A 339 152.969 45.123 -5.902 0.00 0.00 O ATOM 7178 O2P C A 339 150.844 43.700 -6.322 0.00 0.00 O ATOM 7179 O5* C A 339 150.891 45.330 -4.417 0.00 0.00 O ATOM 7180 C5* C A 339 151.437 46.378 -3.651 0.00 0.00 C ATOM 7181 C4* C A 339 150.533 46.792 -2.480 0.00 0.00 C ATOM 7182 O4* C A 339 149.243 47.243 -2.901 0.00 0.00 O ATOM 7183 C3* C A 339 150.298 45.703 -1.438 0.00 0.00 C ATOM 7184 O3* C A 339 151.423 45.542 -0.589 0.00 0.00 O ATOM 7185 C2* C A 339 149.070 46.298 -0.738 0.00 0.00 C ATOM 7186 O2* C A 339 149.401 47.400 0.104 0.00 0.00 O ATOM 7187 C1* C A 339 148.271 46.849 -1.924 0.00 0.00 C ATOM 7188 N1 C A 339 147.294 45.849 -2.464 0.00 0.00 N ATOM 7189 C2 C A 339 146.019 45.746 -1.877 0.00 0.00 C ATOM 7190 O2 C A 339 145.691 46.427 -0.902 0.00 0.00 O ATOM 7191 N3 C A 339 145.098 44.885 -2.387 0.00 0.00 N ATOM 7192 C4 C A 339 145.413 44.164 -3.459 0.00 0.00 C ATOM 7193 N4 C A 339 144.470 43.433 -4.004 0.00 0.00 N ATOM 7194 C5 C A 339 146.682 44.239 -4.096 0.00 0.00 C ATOM 7195 C6 C A 339 147.599 45.075 -3.560 0.00 0.00 C ATOM 7196 P U A 340 151.635 44.203 0.271 0.00 0.00 P ATOM 7197 O1P U A 340 152.924 44.343 0.984 0.00 0.00 O ATOM 7198 O2P U A 340 151.377 43.051 -0.614 0.00 0.00 O ATOM 7199 O5* U A 340 150.454 44.258 1.358 0.00 0.00 O ATOM 7200 C5* U A 340 150.532 45.091 2.496 0.00 0.00 C ATOM 7201 C4* U A 340 149.276 44.952 3.364 0.00 0.00 C ATOM 7202 O4* U A 340 148.105 45.299 2.635 0.00 0.00 O ATOM 7203 C3* U A 340 149.056 43.539 3.898 0.00 0.00 C ATOM 7204 O3* U A 340 149.855 43.263 5.035 0.00 0.00 O ATOM 7205 C2* U A 340 147.559 43.589 4.205 0.00 0.00 C ATOM 7206 O2* U A 340 147.244 44.262 5.421 0.00 0.00 O ATOM 7207 C1* U A 340 147.045 44.435 3.035 0.00 0.00 C ATOM 7208 N1 U A 340 146.552 43.585 1.911 0.00 0.00 N ATOM 7209 C2 U A 340 145.258 43.070 2.022 0.00 0.00 C ATOM 7210 O2 U A 340 144.589 43.140 3.052 0.00 0.00 O ATOM 7211 N3 U A 340 144.739 42.459 0.900 0.00 0.00 N ATOM 7212 C4 U A 340 145.370 42.287 -0.306 0.00 0.00 C ATOM 7213 O4 U A 340 144.765 41.752 -1.230 0.00 0.00 O ATOM 7214 C5 U A 340 146.742 42.753 -0.319 0.00 0.00 C ATOM 7215 C6 U A 340 147.291 43.361 0.767 0.00 0.00 C ATOM 7216 P C A 341 150.259 41.755 5.408 0.00 0.00 P ATOM 7217 O1P C A 341 151.106 41.828 6.618 0.00 0.00 O ATOM 7218 O2P C A 341 150.753 41.109 4.177 0.00 0.00 O ATOM 7219 O5* C A 341 148.858 41.071 5.802 0.00 0.00 O ATOM 7220 C5* C A 341 148.253 41.282 7.061 0.00 0.00 C ATOM 7221 C4* C A 341 146.852 40.653 7.140 0.00 0.00 C ATOM 7222 O4* C A 341 145.966 41.162 6.143 0.00 0.00 O ATOM 7223 C3* C A 341 146.843 39.134 7.004 0.00 0.00 C ATOM 7224 O3* C A 341 147.199 38.494 8.215 0.00 0.00 O ATOM 7225 C2* C A 341 145.383 38.908 6.599 0.00 0.00 C ATOM 7226 O2* C A 341 144.462 39.015 7.676 0.00 0.00 O ATOM 7227 C1* C A 341 145.121 40.103 5.685 0.00 0.00 C ATOM 7228 N1 C A 341 145.362 39.757 4.253 0.00 0.00 N ATOM 7229 C2 C A 341 144.335 39.133 3.525 0.00 0.00 C ATOM 7230 O2 C A 341 143.283 38.761 4.053 0.00 0.00 O ATOM 7231 N3 C A 341 144.499 38.910 2.197 0.00 0.00 N ATOM 7232 C4 C A 341 145.626 39.278 1.600 0.00 0.00 C ATOM 7233 N4 C A 341 145.722 39.062 0.312 0.00 0.00 N ATOM 7234 C5 C A 341 146.714 39.864 2.304 0.00 0.00 C ATOM 7235 C6 C A 341 146.550 40.065 3.632 0.00 0.00 C ATOM 7236 P C A 342 147.686 36.964 8.226 0.00 0.00 P ATOM 7237 O1P C A 342 148.063 36.649 9.619 0.00 0.00 O ATOM 7238 O2P C A 342 148.657 36.799 7.127 0.00 0.00 O ATOM 7239 O5* C A 342 146.361 36.137 7.833 0.00 0.00 O ATOM 7240 C5* C A 342 145.366 35.802 8.782 0.00 0.00 C ATOM 7241 C4* C A 342 144.275 34.932 8.139 0.00 0.00 C ATOM 7242 O4* C A 342 143.604 35.601 7.067 0.00 0.00 O ATOM 7243 C3* C A 342 144.814 33.636 7.544 0.00 0.00 C ATOM 7244 O3* C A 342 145.115 32.639 8.503 0.00 0.00 O ATOM 7245 C2* C A 342 143.650 33.270 6.618 0.00 0.00 C ATOM 7246 O2* C A 342 142.504 32.770 7.299 0.00 0.00 O ATOM 7247 C1* C A 342 143.273 34.641 6.058 0.00 0.00 C ATOM 7248 N1 C A 342 143.980 34.898 4.767 0.00 0.00 N ATOM 7249 C2 C A 342 143.433 34.386 3.580 0.00 0.00 C ATOM 7250 O2 C A 342 142.433 33.668 3.593 0.00 0.00 O ATOM 7251 N3 C A 342 144.016 34.664 2.384 0.00 0.00 N ATOM 7252 C4 C A 342 145.108 35.424 2.357 0.00 0.00 C ATOM 7253 N4 C A 342 145.645 35.661 1.186 0.00 0.00 N ATOM 7254 C5 C A 342 145.747 35.895 3.541 0.00 0.00 C ATOM 7255 C6 C A 342 145.161 35.598 4.724 0.00 0.00 C ATOM 7256 P U A 343 146.208 31.510 8.172 0.00 0.00 P ATOM 7257 O1P U A 343 146.218 30.523 9.271 0.00 0.00 O ATOM 7258 O2P U A 343 147.451 32.180 7.745 0.00 0.00 O ATOM 7259 O5* U A 343 145.571 30.823 6.870 0.00 0.00 O ATOM 7260 C5* U A 343 144.458 29.963 6.968 0.00 0.00 C ATOM 7261 C4* U A 343 144.089 29.433 5.585 0.00 0.00 C ATOM 7262 O4* U A 343 143.715 30.435 4.631 0.00 0.00 O ATOM 7263 C3* U A 343 145.246 28.673 4.943 0.00 0.00 C ATOM 7264 O3* U A 343 145.513 27.440 5.587 0.00 0.00 O ATOM 7265 C2* U A 343 144.682 28.583 3.528 0.00 0.00 C ATOM 7266 O2* U A 343 143.579 27.691 3.519 0.00 0.00 O ATOM 7267 C1* U A 343 144.146 30.011 3.331 0.00 0.00 C ATOM 7268 N1 U A 343 145.168 30.945 2.750 0.00 0.00 N ATOM 7269 C2 U A 343 145.309 31.011 1.353 0.00 0.00 C ATOM 7270 O2 U A 343 144.690 30.285 0.576 0.00 0.00 O ATOM 7271 N3 U A 343 146.204 31.939 0.846 0.00 0.00 N ATOM 7272 C4 U A 343 147.016 32.761 1.596 0.00 0.00 C ATOM 7273 O4 U A 343 147.812 33.513 1.049 0.00 0.00 O ATOM 7274 C5 U A 343 146.837 32.627 3.026 0.00 0.00 C ATOM 7275 C6 U A 343 145.944 31.752 3.556 0.00 0.00 C ATOM 7276 P A A 344 146.806 26.565 5.211 0.00 0.00 P ATOM 7277 O1P A A 344 147.253 25.843 6.419 0.00 0.00 O ATOM 7278 O2P A A 344 147.750 27.437 4.463 0.00 0.00 O ATOM 7279 O5* A A 344 146.160 25.491 4.202 0.00 0.00 O ATOM 7280 C5* A A 344 146.921 24.478 3.557 0.00 0.00 C ATOM 7281 C4* A A 344 145.994 23.398 2.976 0.00 0.00 C ATOM 7282 O4* A A 344 145.323 22.716 4.027 0.00 0.00 O ATOM 7283 C3* A A 344 144.934 24.004 2.039 0.00 0.00 C ATOM 7284 O3* A A 344 145.291 24.223 0.667 0.00 0.00 O ATOM 7285 C2* A A 344 143.671 23.189 2.356 0.00 0.00 C ATOM 7286 O2* A A 344 143.505 21.992 1.623 0.00 0.00 O ATOM 7287 C1* A A 344 143.927 22.701 3.785 0.00 0.00 C ATOM 7288 N9 A A 344 143.251 23.438 4.878 0.00 0.00 N ATOM 7289 C8 A A 344 143.229 24.783 5.165 0.00 0.00 C ATOM 7290 N7 A A 344 142.600 25.085 6.273 0.00 0.00 N ATOM 7291 C5 A A 344 142.192 23.841 6.763 0.00 0.00 C ATOM 7292 C6 A A 344 141.483 23.409 7.910 0.00 0.00 C ATOM 7293 N6 A A 344 141.041 24.203 8.876 0.00 0.00 N ATOM 7294 N1 A A 344 141.216 22.113 8.098 0.00 0.00 N ATOM 7295 C2 A A 344 141.648 21.252 7.183 0.00 0.00 C ATOM 7296 N3 A A 344 142.336 21.504 6.075 0.00 0.00 N ATOM 7297 C4 A A 344 142.574 22.837 5.914 0.00 0.00 C ATOM 7298 P C A 345 146.043 23.166 -0.308 0.00 0.00 P ATOM 7299 O1P C A 345 145.083 22.178 -0.837 0.00 0.00 O ATOM 7300 O2P C A 345 147.317 22.734 0.306 0.00 0.00 O ATOM 7301 O5* C A 345 146.439 24.143 -1.516 0.00 0.00 O ATOM 7302 C5* C A 345 145.498 24.487 -2.517 0.00 0.00 C ATOM 7303 C4* C A 345 145.921 25.766 -3.247 0.00 0.00 C ATOM 7304 O4* C A 345 145.945 26.814 -2.287 0.00 0.00 O ATOM 7305 C3* C A 345 147.315 25.691 -3.894 0.00 0.00 C ATOM 7306 O3* C A 345 147.333 26.449 -5.099 0.00 0.00 O ATOM 7307 C2* C A 345 148.179 26.342 -2.806 0.00 0.00 C ATOM 7308 O2* C A 345 149.414 26.887 -3.249 0.00 0.00 O ATOM 7309 C1* C A 345 147.221 27.415 -2.302 0.00 0.00 C ATOM 7310 N1 C A 345 147.565 27.931 -0.952 0.00 0.00 N ATOM 7311 C2 C A 345 147.843 29.294 -0.800 0.00 0.00 C ATOM 7312 O2 C A 345 147.713 30.079 -1.733 0.00 0.00 O ATOM 7313 N3 C A 345 148.237 29.772 0.405 0.00 0.00 N ATOM 7314 C4 C A 345 148.298 28.956 1.437 0.00 0.00 C ATOM 7315 N4 C A 345 148.552 29.513 2.592 0.00 0.00 N ATOM 7316 C5 C A 345 147.996 27.566 1.342 0.00 0.00 C ATOM 7317 C6 C A 345 147.625 27.090 0.131 0.00 0.00 C ATOM 7318 P G A 346 147.044 25.771 -6.533 0.00 0.00 P ATOM 7319 O1P G A 346 147.606 24.402 -6.519 0.00 0.00 O ATOM 7320 O2P G A 346 147.453 26.725 -7.584 0.00 0.00 O ATOM 7321 O5* G A 346 145.442 25.647 -6.573 0.00 0.00 O ATOM 7322 C5* G A 346 144.606 26.794 -6.623 0.00 0.00 C ATOM 7323 C4* G A 346 143.145 26.352 -6.497 0.00 0.00 C ATOM 7324 O4* G A 346 143.017 25.584 -5.312 0.00 0.00 O ATOM 7325 C3* G A 346 142.160 27.513 -6.324 0.00 0.00 C ATOM 7326 O3* G A 346 141.818 28.162 -7.558 0.00 0.00 O ATOM 7327 C2* G A 346 140.999 26.768 -5.619 0.00 0.00 C ATOM 7328 O2* G A 346 140.104 26.146 -6.534 0.00 0.00 O ATOM 7329 C1* G A 346 141.685 25.628 -4.854 0.00 0.00 C ATOM 7330 N9 G A 346 141.683 25.753 -3.368 0.00 0.00 N ATOM 7331 C8 G A 346 141.134 24.881 -2.460 0.00 0.00 C ATOM 7332 N7 G A 346 141.427 25.141 -1.218 0.00 0.00 N ATOM 7333 C5 G A 346 142.209 26.294 -1.278 0.00 0.00 C ATOM 7334 C6 G A 346 142.850 27.071 -0.240 0.00 0.00 C ATOM 7335 O6 G A 346 142.892 26.916 0.986 0.00 0.00 O ATOM 7336 N1 G A 346 143.497 28.182 -0.739 0.00 0.00 N ATOM 7337 C2 G A 346 143.544 28.519 -2.055 0.00 0.00 C ATOM 7338 N2 G A 346 144.209 29.613 -2.344 0.00 0.00 N ATOM 7339 N3 G A 346 142.958 27.833 -3.037 0.00 0.00 N ATOM 7340 C4 G A 346 142.317 26.710 -2.594 0.00 0.00 C ATOM 7341 P G A 347 141.678 29.771 -7.677 0.00 0.00 P ATOM 7342 O1P G A 347 141.013 30.215 -8.921 0.00 0.00 O ATOM 7343 O2P G A 347 142.932 30.464 -7.337 0.00 0.00 O ATOM 7344 O5* G A 347 140.683 30.185 -6.525 0.00 0.00 O ATOM 7345 C5* G A 347 139.378 29.660 -6.453 0.00 0.00 C ATOM 7346 C4* G A 347 138.892 29.868 -5.025 0.00 0.00 C ATOM 7347 O4* G A 347 139.862 29.457 -4.053 0.00 0.00 O ATOM 7348 C3* G A 347 138.580 31.326 -4.715 0.00 0.00 C ATOM 7349 O3* G A 347 137.359 31.773 -5.288 0.00 0.00 O ATOM 7350 C2* G A 347 138.575 31.205 -3.191 0.00 0.00 C ATOM 7351 O2* G A 347 137.415 30.483 -2.788 0.00 0.00 O ATOM 7352 C1* G A 347 139.806 30.331 -2.936 0.00 0.00 C ATOM 7353 N9 G A 347 141.062 31.126 -2.800 0.00 0.00 N ATOM 7354 C8 G A 347 141.938 31.574 -3.760 0.00 0.00 C ATOM 7355 N7 G A 347 142.885 32.352 -3.306 0.00 0.00 N ATOM 7356 C5 G A 347 142.647 32.414 -1.930 0.00 0.00 C ATOM 7357 C6 G A 347 143.330 33.107 -0.863 0.00 0.00 C ATOM 7358 O6 G A 347 144.341 33.812 -0.872 0.00 0.00 O ATOM 7359 N1 G A 347 142.727 32.918 0.364 0.00 0.00 N ATOM 7360 C2 G A 347 141.696 32.052 0.575 0.00 0.00 C ATOM 7361 N2 G A 347 141.308 31.886 1.809 0.00 0.00 N ATOM 7362 N3 G A 347 141.067 31.351 -0.370 0.00 0.00 N ATOM 7363 C4 G A 347 141.567 31.610 -1.615 0.00 0.00 C ATOM 7364 P G A 348 136.849 33.273 -5.032 0.00 0.00 P ATOM 7365 O1P G A 348 135.694 33.550 -5.914 0.00 0.00 O ATOM 7366 O2P G A 348 138.049 34.139 -5.095 0.00 0.00 O ATOM 7367 O5* G A 348 136.336 33.212 -3.502 0.00 0.00 O ATOM 7368 C5* G A 348 136.356 34.350 -2.667 0.00 0.00 C ATOM 7369 C4* G A 348 136.461 33.956 -1.187 0.00 0.00 C ATOM 7370 O4* G A 348 137.725 33.370 -0.880 0.00 0.00 O ATOM 7371 C3* G A 348 136.328 35.211 -0.330 0.00 0.00 C ATOM 7372 O3* G A 348 134.962 35.488 -0.018 0.00 0.00 O ATOM 7373 C2* G A 348 137.229 34.880 0.866 0.00 0.00 C ATOM 7374 O2* G A 348 136.589 34.083 1.853 0.00 0.00 O ATOM 7375 C1* G A 348 138.337 34.037 0.213 0.00 0.00 C ATOM 7376 N9 G A 348 139.507 34.821 -0.266 0.00 0.00 N ATOM 7377 C8 G A 348 140.068 34.859 -1.519 0.00 0.00 C ATOM 7378 N7 G A 348 141.138 35.602 -1.609 0.00 0.00 N ATOM 7379 C5 G A 348 141.318 36.092 -0.315 0.00 0.00 C ATOM 7380 C6 G A 348 142.309 36.979 0.239 0.00 0.00 C ATOM 7381 O6 G A 348 143.261 37.539 -0.308 0.00 0.00 O ATOM 7382 N1 G A 348 142.111 37.228 1.588 0.00 0.00 N ATOM 7383 C2 G A 348 141.105 36.671 2.325 0.00 0.00 C ATOM 7384 N2 G A 348 140.998 37.011 3.586 0.00 0.00 N ATOM 7385 N3 G A 348 140.183 35.840 1.849 0.00 0.00 N ATOM 7386 C4 G A 348 140.333 35.596 0.515 0.00 0.00 C ATOM 7387 P A A 349 134.355 36.967 -0.139 0.00 0.00 P ATOM 7388 O1P A A 349 132.903 36.930 0.208 0.00 0.00 O ATOM 7389 O2P A A 349 134.743 37.557 -1.433 0.00 0.00 O ATOM 7390 O5* A A 349 135.175 37.751 0.994 0.00 0.00 O ATOM 7391 C5* A A 349 135.055 37.448 2.374 0.00 0.00 C ATOM 7392 C4* A A 349 135.980 38.336 3.217 0.00 0.00 C ATOM 7393 O4* A A 349 137.345 37.955 3.127 0.00 0.00 O ATOM 7394 C3* A A 349 135.921 39.802 2.806 0.00 0.00 C ATOM 7395 O3* A A 349 134.702 40.380 3.226 0.00 0.00 O ATOM 7396 C2* A A 349 137.211 40.319 3.445 0.00 0.00 C ATOM 7397 O2* A A 349 137.160 40.493 4.853 0.00 0.00 O ATOM 7398 C1* A A 349 138.139 39.137 3.166 0.00 0.00 C ATOM 7399 N9 A A 349 138.824 39.299 1.868 0.00 0.00 N ATOM 7400 C8 A A 349 138.518 38.751 0.646 0.00 0.00 C ATOM 7401 N7 A A 349 139.373 39.037 -0.299 0.00 0.00 N ATOM 7402 C5 A A 349 140.314 39.834 0.360 0.00 0.00 C ATOM 7403 C6 A A 349 141.516 40.463 -0.027 0.00 0.00 C ATOM 7404 N6 A A 349 142.053 40.347 -1.230 0.00 0.00 N ATOM 7405 N1 A A 349 142.210 41.197 0.852 0.00 0.00 N ATOM 7406 C2 A A 349 141.746 41.288 2.095 0.00 0.00 C ATOM 7407 N3 A A 349 140.647 40.744 2.603 0.00 0.00 N ATOM 7408 C4 A A 349 139.971 40.020 1.671 0.00 0.00 C ATOM 7409 P G A 350 134.221 41.799 2.689 0.00 0.00 P ATOM 7410 O1P G A 350 132.843 41.951 3.211 0.00 0.00 O ATOM 7411 O2P G A 350 134.455 41.819 1.220 0.00 0.00 O ATOM 7412 O5* G A 350 135.267 42.777 3.434 0.00 0.00 O ATOM 7413 C5* G A 350 135.596 44.071 2.954 0.00 0.00 C ATOM 7414 C4* G A 350 136.897 44.531 3.628 0.00 0.00 C ATOM 7415 O4* G A 350 137.969 43.624 3.379 0.00 0.00 O ATOM 7416 C3* G A 350 137.389 45.906 3.154 0.00 0.00 C ATOM 7417 O3* G A 350 136.882 46.983 3.914 0.00 0.00 O ATOM 7418 C2* G A 350 138.895 45.794 3.363 0.00 0.00 C ATOM 7419 O2* G A 350 139.282 45.998 4.721 0.00 0.00 O ATOM 7420 C1* G A 350 139.138 44.332 2.992 0.00 0.00 C ATOM 7421 N9 G A 350 139.400 44.122 1.544 0.00 0.00 N ATOM 7422 C8 G A 350 138.629 43.483 0.606 0.00 0.00 C ATOM 7423 N7 G A 350 139.218 43.293 -0.547 0.00 0.00 N ATOM 7424 C5 G A 350 140.492 43.849 -0.361 0.00 0.00 C ATOM 7425 C6 G A 350 141.647 43.911 -1.224 0.00 0.00 C ATOM 7426 O6 G A 350 141.795 43.457 -2.365 0.00 0.00 O ATOM 7427 N1 G A 350 142.715 44.588 -0.645 0.00 0.00 N ATOM 7428 C2 G A 350 142.693 45.106 0.624 0.00 0.00 C ATOM 7429 N2 G A 350 143.738 45.772 1.051 0.00 0.00 N ATOM 7430 N3 G A 350 141.660 45.020 1.458 0.00 0.00 N ATOM 7431 C4 G A 350 140.587 44.386 0.907 0.00 0.00 C ATOM 7432 P G A 351 135.514 47.716 3.534 0.00 0.00 P ATOM 7433 O1P G A 351 134.727 47.691 4.782 0.00 0.00 O ATOM 7434 O2P G A 351 135.016 47.132 2.271 0.00 0.00 O ATOM 7435 O5* G A 351 136.036 49.207 3.262 0.00 0.00 O ATOM 7436 C5* G A 351 136.724 49.937 4.271 0.00 0.00 C ATOM 7437 C4* G A 351 138.033 50.493 3.701 0.00 0.00 C ATOM 7438 O4* G A 351 138.734 49.452 3.047 0.00 0.00 O ATOM 7439 C3* G A 351 137.765 51.599 2.665 0.00 0.00 C ATOM 7440 O3* G A 351 137.751 52.956 3.097 0.00 0.00 O ATOM 7441 C2* G A 351 138.826 51.358 1.585 0.00 0.00 C ATOM 7442 O2* G A 351 139.909 52.263 1.603 0.00 0.00 O ATOM 7443 C1* G A 351 139.395 49.985 1.919 0.00 0.00 C ATOM 7444 N9 G A 351 139.262 49.041 0.797 0.00 0.00 N ATOM 7445 C8 G A 351 138.158 48.354 0.360 0.00 0.00 C ATOM 7446 N7 G A 351 138.395 47.527 -0.626 0.00 0.00 N ATOM 7447 C5 G A 351 139.768 47.687 -0.859 0.00 0.00 C ATOM 7448 C6 G A 351 140.654 47.081 -1.818 0.00 0.00 C ATOM 7449 O6 G A 351 140.409 46.249 -2.692 0.00 0.00 O ATOM 7450 N1 G A 351 141.952 47.553 -1.732 0.00 0.00 N ATOM 7451 C2 G A 351 142.368 48.500 -0.842 0.00 0.00 C ATOM 7452 N2 G A 351 143.646 48.805 -0.833 0.00 0.00 N ATOM 7453 N3 G A 351 141.579 49.082 0.054 0.00 0.00 N ATOM 7454 C4 G A 351 140.291 48.634 -0.006 0.00 0.00 C ATOM 7455 P C A 352 137.998 53.440 4.611 0.00 0.00 P ATOM 7456 O1P C A 352 139.340 52.977 5.039 0.00 0.00 O ATOM 7457 O2P C A 352 136.811 53.076 5.417 0.00 0.00 O ATOM 7458 O5* C A 352 138.047 55.023 4.355 0.00 0.00 O ATOM 7459 C5* C A 352 139.136 55.815 4.784 0.00 0.00 C ATOM 7460 C4* C A 352 138.789 56.555 6.076 0.00 0.00 C ATOM 7461 O4* C A 352 138.487 55.702 7.168 0.00 0.00 O ATOM 7462 C3* C A 352 140.021 57.302 6.547 0.00 0.00 C ATOM 7463 O3* C A 352 140.366 58.374 5.704 0.00 0.00 O ATOM 7464 C2* C A 352 139.625 57.640 7.983 0.00 0.00 C ATOM 7465 O2* C A 352 138.670 58.686 8.100 0.00 0.00 O ATOM 7466 C1* C A 352 138.948 56.318 8.367 0.00 0.00 C ATOM 7467 N1 C A 352 139.905 55.421 9.074 0.00 0.00 N ATOM 7468 C2 C A 352 140.192 55.686 10.419 0.00 0.00 C ATOM 7469 O2 C A 352 139.648 56.621 11.013 0.00 0.00 O ATOM 7470 N3 C A 352 141.031 54.863 11.100 0.00 0.00 N ATOM 7471 C4 C A 352 141.539 53.808 10.486 0.00 0.00 C ATOM 7472 N4 C A 352 142.196 52.960 11.223 0.00 0.00 N ATOM 7473 C5 C A 352 141.269 53.484 9.129 0.00 0.00 C ATOM 7474 C6 C A 352 140.447 54.317 8.454 0.00 0.00 C ATOM 7475 P A A 353 141.819 59.009 5.757 0.00 0.00 P ATOM 7476 O1P A A 353 142.533 58.597 4.529 0.00 0.00 O ATOM 7477 O2P A A 353 142.423 58.733 7.081 0.00 0.00 O ATOM 7478 O5* A A 353 141.391 60.552 5.648 0.00 0.00 O ATOM 7479 C5* A A 353 141.131 61.099 4.376 0.00 0.00 C ATOM 7480 C4* A A 353 139.828 61.887 4.275 0.00 0.00 C ATOM 7481 O4* A A 353 140.021 62.787 3.181 0.00 0.00 O ATOM 7482 C3* A A 353 138.584 61.024 3.979 0.00 0.00 C ATOM 7483 O3* A A 353 137.671 60.918 5.063 0.00 0.00 O ATOM 7484 C2* A A 353 137.978 61.814 2.820 0.00 0.00 C ATOM 7485 O2* A A 353 137.245 62.919 3.315 0.00 0.00 O ATOM 7486 C1* A A 353 139.168 62.428 2.101 0.00 0.00 C ATOM 7487 N9 A A 353 139.851 61.534 1.127 0.00 0.00 N ATOM 7488 C8 A A 353 141.151 61.083 1.156 0.00 0.00 C ATOM 7489 N7 A A 353 141.491 60.319 0.161 0.00 0.00 N ATOM 7490 C5 A A 353 140.351 60.329 -0.637 0.00 0.00 C ATOM 7491 C6 A A 353 140.068 59.774 -1.896 0.00 0.00 C ATOM 7492 N6 A A 353 140.936 59.003 -2.532 0.00 0.00 N ATOM 7493 N1 A A 353 138.904 60.041 -2.499 0.00 0.00 N ATOM 7494 C2 A A 353 138.021 60.801 -1.856 0.00 0.00 C ATOM 7495 N3 A A 353 138.143 61.368 -0.651 0.00 0.00 N ATOM 7496 C4 A A 353 139.356 61.094 -0.086 0.00 0.00 C ATOM 7497 P G A 354 136.292 60.094 4.913 0.00 0.00 P ATOM 7498 O1P G A 354 136.612 58.670 4.750 0.00 0.00 O ATOM 7499 O2P G A 354 135.438 60.770 3.901 0.00 0.00 O ATOM 7500 O5* G A 354 135.584 60.319 6.332 0.00 0.00 O ATOM 7501 C5* G A 354 134.948 61.553 6.569 0.00 0.00 C ATOM 7502 C4* G A 354 133.958 61.542 7.711 0.00 0.00 C ATOM 7503 O4* G A 354 133.137 60.375 7.720 0.00 0.00 O ATOM 7504 C3* G A 354 134.576 61.737 9.092 0.00 0.00 C ATOM 7505 O3* G A 354 134.869 63.107 9.342 0.00 0.00 O ATOM 7506 C2* G A 354 133.364 61.245 9.877 0.00 0.00 C ATOM 7507 O2* G A 354 132.316 62.214 9.760 0.00 0.00 O ATOM 7508 C1* G A 354 132.950 59.996 9.079 0.00 0.00 C ATOM 7509 N9 G A 354 133.735 58.751 9.358 0.00 0.00 N ATOM 7510 C8 G A 354 134.443 57.966 8.477 0.00 0.00 C ATOM 7511 N7 G A 354 134.863 56.831 8.970 0.00 0.00 N ATOM 7512 C5 G A 354 134.402 56.840 10.285 0.00 0.00 C ATOM 7513 C6 G A 354 134.492 55.857 11.340 0.00 0.00 C ATOM 7514 O6 G A 354 134.995 54.731 11.348 0.00 0.00 O ATOM 7515 N1 G A 354 133.894 56.277 12.512 0.00 0.00 N ATOM 7516 C2 G A 354 133.330 57.503 12.667 0.00 0.00 C ATOM 7517 N2 G A 354 132.948 57.854 13.860 0.00 0.00 N ATOM 7518 N3 G A 354 133.193 58.419 11.718 0.00 0.00 N ATOM 7519 C4 G A 354 133.744 58.031 10.534 0.00 0.00 C ATOM 7520 P C A 355 135.945 63.580 10.434 0.00 0.00 P ATOM 7521 O1P C A 355 135.866 65.053 10.515 0.00 0.00 O ATOM 7522 O2P C A 355 137.239 62.947 10.086 0.00 0.00 O ATOM 7523 O5* C A 355 135.412 62.954 11.822 0.00 0.00 O ATOM 7524 C5* C A 355 134.369 63.539 12.596 0.00 0.00 C ATOM 7525 C4* C A 355 134.347 62.960 14.024 0.00 0.00 C ATOM 7526 O4* C A 355 133.938 61.595 14.041 0.00 0.00 O ATOM 7527 C3* C A 355 135.719 63.018 14.705 0.00 0.00 C ATOM 7528 O3* C A 355 136.002 64.277 15.297 0.00 0.00 O ATOM 7529 C2* C A 355 135.590 61.883 15.726 0.00 0.00 C ATOM 7530 O2* C A 355 134.943 62.314 16.921 0.00 0.00 O ATOM 7531 C1* C A 355 134.706 60.865 14.992 0.00 0.00 C ATOM 7532 N1 C A 355 135.502 59.797 14.317 0.00 0.00 N ATOM 7533 C2 C A 355 135.809 58.621 15.026 0.00 0.00 C ATOM 7534 O2 C A 355 135.553 58.490 16.225 0.00 0.00 O ATOM 7535 N3 C A 355 136.410 57.584 14.394 0.00 0.00 N ATOM 7536 C4 C A 355 136.774 57.727 13.126 0.00 0.00 C ATOM 7537 N4 C A 355 137.386 56.709 12.588 0.00 0.00 N ATOM 7538 C5 C A 355 136.505 58.898 12.363 0.00 0.00 C ATOM 7539 C6 C A 355 135.853 59.903 12.991 0.00 0.00 C ATOM 7540 P A A 356 137.518 64.768 15.522 0.00 0.00 P ATOM 7541 O1P A A 356 137.482 65.995 16.348 0.00 0.00 O ATOM 7542 O2P A A 356 138.183 64.791 14.203 0.00 0.00 O ATOM 7543 O5* A A 356 138.185 63.594 16.396 0.00 0.00 O ATOM 7544 C5* A A 356 137.961 63.521 17.790 0.00 0.00 C ATOM 7545 C4* A A 356 138.509 62.226 18.382 0.00 0.00 C ATOM 7546 O4* A A 356 137.856 61.070 17.867 0.00 0.00 O ATOM 7547 C3* A A 356 139.997 61.957 18.147 0.00 0.00 C ATOM 7548 O3* A A 356 140.891 62.776 18.887 0.00 0.00 O ATOM 7549 C2* A A 356 139.992 60.523 18.671 0.00 0.00 C ATOM 7550 O2* A A 356 139.918 60.557 20.097 0.00 0.00 O ATOM 7551 C1* A A 356 138.695 59.946 18.080 0.00 0.00 C ATOM 7552 N9 A A 356 138.965 59.204 16.819 0.00 0.00 N ATOM 7553 C8 A A 356 138.962 59.678 15.529 0.00 0.00 C ATOM 7554 N7 A A 356 139.307 58.795 14.634 0.00 0.00 N ATOM 7555 C5 A A 356 139.569 57.643 15.384 0.00 0.00 C ATOM 7556 C6 A A 356 140.022 56.335 15.076 0.00 0.00 C ATOM 7557 N6 A A 356 140.316 55.887 13.871 0.00 0.00 N ATOM 7558 N1 A A 356 140.192 55.428 16.049 0.00 0.00 N ATOM 7559 C2 A A 356 139.924 55.796 17.292 0.00 0.00 C ATOM 7560 N3 A A 356 139.505 56.982 17.742 0.00 0.00 N ATOM 7561 C4 A A 356 139.347 57.879 16.718 0.00 0.00 C ATOM 7562 P G A 357 142.464 62.852 18.546 0.00 0.00 P ATOM 7563 O1P G A 357 143.096 63.620 19.648 0.00 0.00 O ATOM 7564 O2P G A 357 142.600 63.360 17.163 0.00 0.00 O ATOM 7565 O5* G A 357 143.007 61.313 18.528 0.00 0.00 O ATOM 7566 C5* G A 357 143.244 60.511 19.681 0.00 0.00 C ATOM 7567 C4* G A 357 143.627 59.071 19.272 0.00 0.00 C ATOM 7568 O4* G A 357 142.607 58.422 18.515 0.00 0.00 O ATOM 7569 C3* G A 357 144.904 58.986 18.436 0.00 0.00 C ATOM 7570 O3* G A 357 146.070 59.075 19.238 0.00 0.00 O ATOM 7571 C2* G A 357 144.709 57.620 17.769 0.00 0.00 C ATOM 7572 O2* G A 357 144.980 56.522 18.626 0.00 0.00 O ATOM 7573 C1* G A 357 143.206 57.623 17.498 0.00 0.00 C ATOM 7574 N9 G A 357 142.937 58.162 16.148 0.00 0.00 N ATOM 7575 C8 G A 357 142.496 59.407 15.777 0.00 0.00 C ATOM 7576 N7 G A 357 142.431 59.584 14.488 0.00 0.00 N ATOM 7577 C5 G A 357 142.854 58.362 13.956 0.00 0.00 C ATOM 7578 C6 G A 357 143.025 57.925 12.598 0.00 0.00 C ATOM 7579 O6 G A 357 142.804 58.517 11.545 0.00 0.00 O ATOM 7580 N1 G A 357 143.550 56.649 12.509 0.00 0.00 N ATOM 7581 C2 G A 357 143.837 55.859 13.581 0.00 0.00 C ATOM 7582 N2 G A 357 144.400 54.706 13.310 0.00 0.00 N ATOM 7583 N3 G A 357 143.656 56.210 14.858 0.00 0.00 N ATOM 7584 C4 G A 357 143.171 57.486 14.975 0.00 0.00 C ATOM 7585 P U A 358 147.513 59.387 18.604 0.00 0.00 P ATOM 7586 O1P U A 358 148.462 59.499 19.734 0.00 0.00 O ATOM 7587 O2P U A 358 147.370 60.539 17.680 0.00 0.00 O ATOM 7588 O5* U A 358 147.866 58.083 17.727 0.00 0.00 O ATOM 7589 C5* U A 358 148.242 56.855 18.333 0.00 0.00 C ATOM 7590 C4* U A 358 148.569 55.788 17.279 0.00 0.00 C ATOM 7591 O4* U A 358 147.490 55.561 16.375 0.00 0.00 O ATOM 7592 C3* U A 358 149.774 56.168 16.430 0.00 0.00 C ATOM 7593 O3* U A 358 150.991 55.980 17.135 0.00 0.00 O ATOM 7594 C2* U A 358 149.562 55.231 15.236 0.00 0.00 C ATOM 7595 O2* U A 358 149.948 53.885 15.476 0.00 0.00 O ATOM 7596 C1* U A 358 148.036 55.239 15.093 0.00 0.00 C ATOM 7597 N1 U A 358 147.592 56.176 14.020 0.00 0.00 N ATOM 7598 C2 U A 358 147.707 55.745 12.691 0.00 0.00 C ATOM 7599 O2 U A 358 148.292 54.713 12.360 0.00 0.00 O ATOM 7600 N3 U A 358 147.140 56.552 11.725 0.00 0.00 N ATOM 7601 C4 U A 358 146.540 57.771 11.936 0.00 0.00 C ATOM 7602 O4 U A 358 146.069 58.376 10.979 0.00 0.00 O ATOM 7603 C5 U A 358 146.534 58.196 13.322 0.00 0.00 C ATOM 7604 C6 U A 358 147.046 57.409 14.307 0.00 0.00 C ATOM 7605 P G A 359 152.305 56.833 16.777 0.00 0.00 P ATOM 7606 O1P G A 359 153.390 56.451 17.705 0.00 0.00 O ATOM 7607 O2P G A 359 151.910 58.251 16.627 0.00 0.00 O ATOM 7608 O5* G A 359 152.667 56.279 15.322 0.00 0.00 O ATOM 7609 C5* G A 359 153.265 55.013 15.132 0.00 0.00 C ATOM 7610 C4* G A 359 153.307 54.711 13.635 0.00 0.00 C ATOM 7611 O4* G A 359 151.977 54.667 13.136 0.00 0.00 O ATOM 7612 C3* G A 359 154.067 55.769 12.835 0.00 0.00 C ATOM 7613 O3* G A 359 155.463 55.540 12.819 0.00 0.00 O ATOM 7614 C2* G A 359 153.369 55.669 11.478 0.00 0.00 C ATOM 7615 O2* G A 359 153.720 54.583 10.633 0.00 0.00 O ATOM 7616 C1* G A 359 151.942 55.416 11.938 0.00 0.00 C ATOM 7617 N9 G A 359 151.214 56.703 11.996 0.00 0.00 N ATOM 7618 C8 G A 359 150.862 57.578 12.997 0.00 0.00 C ATOM 7619 N7 G A 359 150.074 58.544 12.592 0.00 0.00 N ATOM 7620 C5 G A 359 149.976 58.347 11.209 0.00 0.00 C ATOM 7621 C6 G A 359 149.277 59.035 10.154 0.00 0.00 C ATOM 7622 O6 G A 359 148.527 60.003 10.200 0.00 0.00 O ATOM 7623 N1 G A 359 149.493 58.473 8.901 0.00 0.00 N ATOM 7624 C2 G A 359 150.325 57.405 8.687 0.00 0.00 C ATOM 7625 N2 G A 359 150.565 56.941 7.490 0.00 0.00 N ATOM 7626 N3 G A 359 150.938 56.726 9.628 0.00 0.00 N ATOM 7627 C4 G A 359 150.721 57.249 10.859 0.00 0.00 C ATOM 7628 P G A 360 156.497 56.749 12.579 0.00 0.00 P ATOM 7629 O1P G A 360 157.868 56.236 12.771 0.00 0.00 O ATOM 7630 O2P G A 360 156.034 57.946 13.316 0.00 0.00 O ATOM 7631 O5* G A 360 156.257 57.010 11.018 0.00 0.00 O ATOM 7632 C5* G A 360 156.758 56.121 10.046 0.00 0.00 C ATOM 7633 C4* G A 360 156.370 56.607 8.651 0.00 0.00 C ATOM 7634 O4* G A 360 154.952 56.704 8.464 0.00 0.00 O ATOM 7635 C3* G A 360 156.968 57.967 8.307 0.00 0.00 C ATOM 7636 O3* G A 360 158.323 57.866 7.900 0.00 0.00 O ATOM 7637 C2* G A 360 156.029 58.332 7.158 0.00 0.00 C ATOM 7638 O2* G A 360 156.276 57.539 5.995 0.00 0.00 O ATOM 7639 C1* G A 360 154.671 57.884 7.698 0.00 0.00 C ATOM 7640 N9 G A 360 153.974 58.929 8.504 0.00 0.00 N ATOM 7641 C8 G A 360 153.912 59.057 9.871 0.00 0.00 C ATOM 7642 N7 G A 360 153.027 59.917 10.292 0.00 0.00 N ATOM 7643 C5 G A 360 152.501 60.461 9.122 0.00 0.00 C ATOM 7644 C6 G A 360 151.491 61.466 8.916 0.00 0.00 C ATOM 7645 O6 G A 360 150.806 62.071 9.727 0.00 0.00 O ATOM 7646 N1 G A 360 151.285 61.790 7.590 0.00 0.00 N ATOM 7647 C2 G A 360 151.962 61.202 6.566 0.00 0.00 C ATOM 7648 N2 G A 360 151.548 61.512 5.358 0.00 0.00 N ATOM 7649 N3 G A 360 152.862 60.220 6.710 0.00 0.00 N ATOM 7650 C4 G A 360 153.111 59.899 8.019 0.00 0.00 C ATOM 7651 P G A 361 159.363 59.071 8.111 0.00 0.00 P ATOM 7652 O1P G A 361 160.621 58.676 7.423 0.00 0.00 O ATOM 7653 O2P G A 361 159.356 59.451 9.537 0.00 0.00 O ATOM 7654 O5* G A 361 158.688 60.263 7.278 0.00 0.00 O ATOM 7655 C5* G A 361 158.841 60.327 5.879 0.00 0.00 C ATOM 7656 C4* G A 361 158.066 61.501 5.287 0.00 0.00 C ATOM 7657 O4* G A 361 156.668 61.346 5.483 0.00 0.00 O ATOM 7658 C3* G A 361 158.461 62.860 5.847 0.00 0.00 C ATOM 7659 O3* G A 361 159.687 63.287 5.270 0.00 0.00 O ATOM 7660 C2* G A 361 157.216 63.649 5.409 0.00 0.00 C ATOM 7661 O2* G A 361 157.201 63.964 4.015 0.00 0.00 O ATOM 7662 C1* G A 361 156.099 62.630 5.671 0.00 0.00 C ATOM 7663 N9 G A 361 155.559 62.749 7.046 0.00 0.00 N ATOM 7664 C8 G A 361 155.974 62.146 8.207 0.00 0.00 C ATOM 7665 N7 G A 361 155.279 62.480 9.261 0.00 0.00 N ATOM 7666 C5 G A 361 154.327 63.376 8.772 0.00 0.00 C ATOM 7667 C6 G A 361 153.266 64.095 9.431 0.00 0.00 C ATOM 7668 O6 G A 361 152.946 64.122 10.625 0.00 0.00 O ATOM 7669 N1 G A 361 152.513 64.858 8.551 0.00 0.00 N ATOM 7670 C2 G A 361 152.769 64.950 7.211 0.00 0.00 C ATOM 7671 N2 G A 361 151.955 65.671 6.484 0.00 0.00 N ATOM 7672 N3 G A 361 153.737 64.297 6.572 0.00 0.00 N ATOM 7673 C4 G A 361 154.489 63.529 7.410 0.00 0.00 C ATOM 7674 P G A 362 160.671 64.335 5.989 0.00 0.00 P ATOM 7675 O1P G A 362 161.665 64.741 4.964 0.00 0.00 O ATOM 7676 O2P G A 362 161.144 63.776 7.278 0.00 0.00 O ATOM 7677 O5* G A 362 159.695 65.571 6.301 0.00 0.00 O ATOM 7678 C5* G A 362 159.268 66.461 5.285 0.00 0.00 C ATOM 7679 C4* G A 362 158.292 67.495 5.853 0.00 0.00 C ATOM 7680 O4* G A 362 157.087 66.911 6.333 0.00 0.00 O ATOM 7681 C3* G A 362 158.878 68.230 7.045 0.00 0.00 C ATOM 7682 O3* G A 362 159.885 69.161 6.681 0.00 0.00 O ATOM 7683 C2* G A 362 157.610 68.830 7.630 0.00 0.00 C ATOM 7684 O2* G A 362 157.158 69.915 6.839 0.00 0.00 O ATOM 7685 C1* G A 362 156.640 67.651 7.467 0.00 0.00 C ATOM 7686 N9 G A 362 156.614 66.774 8.670 0.00 0.00 N ATOM 7687 C8 G A 362 157.532 65.839 9.085 0.00 0.00 C ATOM 7688 N7 G A 362 157.267 65.291 10.241 0.00 0.00 N ATOM 7689 C5 G A 362 156.089 65.919 10.645 0.00 0.00 C ATOM 7690 C6 G A 362 155.308 65.792 11.851 0.00 0.00 C ATOM 7691 O6 G A 362 155.425 65.043 12.833 0.00 0.00 O ATOM 7692 N1 G A 362 154.249 66.671 11.873 0.00 0.00 N ATOM 7693 C2 G A 362 153.869 67.455 10.833 0.00 0.00 C ATOM 7694 N2 G A 362 152.766 68.132 11.032 0.00 0.00 N ATOM 7695 N3 G A 362 154.515 67.551 9.668 0.00 0.00 N ATOM 7696 C4 G A 362 155.655 66.791 9.658 0.00 0.00 C ATOM 7697 P A A 363 161.047 69.486 7.717 0.00 0.00 P ATOM 7698 O1P A A 363 162.193 70.068 6.968 0.00 0.00 O ATOM 7699 O2P A A 363 161.265 68.276 8.539 0.00 0.00 O ATOM 7700 O5* A A 363 160.436 70.640 8.661 0.00 0.00 O ATOM 7701 C5* A A 363 161.142 71.116 9.798 0.00 0.00 C ATOM 7702 C4* A A 363 160.290 72.069 10.640 0.00 0.00 C ATOM 7703 O4* A A 363 159.999 73.281 9.945 0.00 0.00 O ATOM 7704 C3* A A 363 158.958 71.458 11.075 0.00 0.00 C ATOM 7705 O3* A A 363 159.082 70.596 12.197 0.00 0.00 O ATOM 7706 C2* A A 363 158.199 72.751 11.377 0.00 0.00 C ATOM 7707 O2* A A 363 158.644 73.326 12.598 0.00 0.00 O ATOM 7708 C1* A A 363 158.664 73.672 10.251 0.00 0.00 C ATOM 7709 N9 A A 363 157.828 73.572 9.029 0.00 0.00 N ATOM 7710 C8 A A 363 158.088 72.885 7.869 0.00 0.00 C ATOM 7711 N7 A A 363 157.231 73.108 6.910 0.00 0.00 N ATOM 7712 C5 A A 363 156.320 74.004 7.480 0.00 0.00 C ATOM 7713 C6 A A 363 155.164 74.696 7.025 0.00 0.00 C ATOM 7714 N6 A A 363 154.651 74.656 5.808 0.00 0.00 N ATOM 7715 N1 A A 363 154.492 75.511 7.837 0.00 0.00 N ATOM 7716 C2 A A 363 154.948 75.670 9.069 0.00 0.00 C ATOM 7717 N3 A A 363 156.029 75.125 9.621 0.00 0.00 N ATOM 7718 C4 A A 363 156.672 74.278 8.775 0.00 0.00 C ATOM 7719 P A A 364 157.968 69.489 12.509 0.00 0.00 P ATOM 7720 O1P A A 364 158.259 68.872 13.826 0.00 0.00 O ATOM 7721 O2P A A 364 157.813 68.637 11.317 0.00 0.00 O ATOM 7722 O5* A A 364 156.613 70.314 12.655 0.00 0.00 O ATOM 7723 C5* A A 364 156.315 71.139 13.765 0.00 0.00 C ATOM 7724 C4* A A 364 154.931 71.735 13.509 0.00 0.00 C ATOM 7725 O4* A A 364 154.904 72.469 12.292 0.00 0.00 O ATOM 7726 C3* A A 364 153.871 70.637 13.412 0.00 0.00 C ATOM 7727 O3* A A 364 153.509 70.244 14.733 0.00 0.00 O ATOM 7728 C2* A A 364 152.823 71.353 12.550 0.00 0.00 C ATOM 7729 O2* A A 364 152.030 72.273 13.280 0.00 0.00 O ATOM 7730 C1* A A 364 153.675 72.233 11.628 0.00 0.00 C ATOM 7731 N9 A A 364 153.928 71.714 10.256 0.00 0.00 N ATOM 7732 C8 A A 364 154.884 70.833 9.797 0.00 0.00 C ATOM 7733 N7 A A 364 154.946 70.726 8.490 0.00 0.00 N ATOM 7734 C5 A A 364 153.923 71.576 8.053 0.00 0.00 C ATOM 7735 C6 A A 364 153.386 71.929 6.786 0.00 0.00 C ATOM 7736 N6 A A 364 153.809 71.492 5.608 0.00 0.00 N ATOM 7737 N1 A A 364 152.365 72.784 6.698 0.00 0.00 N ATOM 7738 C2 A A 364 151.887 73.305 7.821 0.00 0.00 C ATOM 7739 N3 A A 364 152.286 73.079 9.070 0.00 0.00 N ATOM 7740 C4 A A 364 153.308 72.181 9.120 0.00 0.00 C ATOM 7741 P U A 365 152.837 68.823 15.088 0.00 0.00 P ATOM 7742 O1P U A 365 153.082 68.577 16.531 0.00 0.00 O ATOM 7743 O2P U A 365 153.244 67.809 14.084 0.00 0.00 O ATOM 7744 O5* U A 365 151.286 69.127 14.868 0.00 0.00 O ATOM 7745 C5* U A 365 150.554 69.927 15.772 0.00 0.00 C ATOM 7746 C4* U A 365 149.193 70.269 15.172 0.00 0.00 C ATOM 7747 O4* U A 365 149.373 71.127 14.065 0.00 0.00 O ATOM 7748 C3* U A 365 148.397 69.070 14.658 0.00 0.00 C ATOM 7749 O3* U A 365 147.770 68.443 15.762 0.00 0.00 O ATOM 7750 C2* U A 365 147.437 69.782 13.683 0.00 0.00 C ATOM 7751 O2* U A 365 146.217 70.229 14.272 0.00 0.00 O ATOM 7752 C1* U A 365 148.175 71.079 13.315 0.00 0.00 C ATOM 7753 N1 U A 365 148.425 71.241 11.862 0.00 0.00 N ATOM 7754 C2 U A 365 149.421 70.479 11.233 0.00 0.00 C ATOM 7755 O2 U A 365 150.014 69.538 11.754 0.00 0.00 O ATOM 7756 N3 U A 365 149.701 70.801 9.923 0.00 0.00 N ATOM 7757 C4 U A 365 148.991 71.681 9.138 0.00 0.00 C ATOM 7758 O4 U A 365 149.269 71.814 7.954 0.00 0.00 O ATOM 7759 C5 U A 365 147.923 72.372 9.826 0.00 0.00 C ATOM 7760 C6 U A 365 147.667 72.139 11.138 0.00 0.00 C ATOM 7761 P A A 366 147.484 66.869 15.882 0.00 0.00 P ATOM 7762 O1P A A 366 148.736 66.087 15.983 0.00 0.00 O ATOM 7763 O2P A A 366 146.434 66.467 14.913 0.00 0.00 O ATOM 7764 O5* A A 366 146.806 66.905 17.335 0.00 0.00 O ATOM 7765 C5* A A 366 147.514 67.414 18.462 0.00 0.00 C ATOM 7766 C4* A A 366 146.577 67.629 19.659 0.00 0.00 C ATOM 7767 O4* A A 366 145.713 68.726 19.379 0.00 0.00 O ATOM 7768 C3* A A 366 145.755 66.371 19.942 0.00 0.00 C ATOM 7769 O3* A A 366 146.121 65.716 21.162 0.00 0.00 O ATOM 7770 C2* A A 366 144.327 66.832 19.583 0.00 0.00 C ATOM 7771 O2* A A 366 143.290 66.419 20.428 0.00 0.00 O ATOM 7772 C1* A A 366 144.348 68.354 19.513 0.00 0.00 C ATOM 7773 N9 A A 366 143.566 68.865 18.346 0.00 0.00 N ATOM 7774 C8 A A 366 144.061 69.176 17.102 0.00 0.00 C ATOM 7775 N7 A A 366 143.178 69.635 16.258 0.00 0.00 N ATOM 7776 C5 A A 366 141.990 69.620 16.993 0.00 0.00 C ATOM 7777 C6 A A 366 140.655 70.016 16.717 0.00 0.00 C ATOM 7778 N6 A A 366 140.208 70.596 15.612 0.00 0.00 N ATOM 7779 N1 A A 366 139.701 69.859 17.629 0.00 0.00 N ATOM 7780 C2 A A 366 140.038 69.351 18.806 0.00 0.00 C ATOM 7781 N3 A A 366 141.251 68.979 19.235 0.00 0.00 N ATOM 7782 C4 A A 366 142.206 69.136 18.265 0.00 0.00 C ATOM 7783 P U A 367 145.954 66.255 22.673 0.00 0.00 P ATOM 7784 O1P U A 367 145.866 67.731 22.718 0.00 0.00 O ATOM 7785 O2P U A 367 146.983 65.594 23.517 0.00 0.00 O ATOM 7786 O5* U A 367 144.566 65.615 23.138 0.00 0.00 O ATOM 7787 C5* U A 367 144.259 64.260 22.827 0.00 0.00 C ATOM 7788 C4* U A 367 143.167 63.755 23.766 0.00 0.00 C ATOM 7789 O4* U A 367 142.059 64.635 23.677 0.00 0.00 O ATOM 7790 C3* U A 367 142.672 62.340 23.436 0.00 0.00 C ATOM 7791 O3* U A 367 142.407 61.698 24.674 0.00 0.00 O ATOM 7792 C2* U A 367 141.396 62.614 22.634 0.00 0.00 C ATOM 7793 O2* U A 367 140.411 61.611 22.790 0.00 0.00 O ATOM 7794 C1* U A 367 140.917 63.906 23.280 0.00 0.00 C ATOM 7795 N1 U A 367 140.027 64.780 22.467 0.00 0.00 N ATOM 7796 C2 U A 367 138.989 65.417 23.151 0.00 0.00 C ATOM 7797 O2 U A 367 138.743 65.226 24.341 0.00 0.00 O ATOM 7798 N3 U A 367 138.225 66.307 22.431 0.00 0.00 N ATOM 7799 C4 U A 367 138.380 66.633 21.107 0.00 0.00 C ATOM 7800 O4 U A 367 137.619 67.455 20.609 0.00 0.00 O ATOM 7801 C5 U A 367 139.482 65.949 20.459 0.00 0.00 C ATOM 7802 C6 U A 367 140.256 65.055 21.133 0.00 0.00 C ATOM 7803 P U A 368 143.244 60.419 25.136 0.00 0.00 P ATOM 7804 O1P U A 368 142.836 60.140 26.532 0.00 0.00 O ATOM 7805 O2P U A 368 144.671 60.690 24.865 0.00 0.00 O ATOM 7806 O5* U A 368 142.732 59.252 24.146 0.00 0.00 O ATOM 7807 C5* U A 368 141.404 58.741 24.188 0.00 0.00 C ATOM 7808 C4* U A 368 140.989 58.268 22.787 0.00 0.00 C ATOM 7809 O4* U A 368 141.808 57.199 22.326 0.00 0.00 O ATOM 7810 C3* U A 368 139.565 57.702 22.692 0.00 0.00 C ATOM 7811 O3* U A 368 138.553 58.695 22.624 0.00 0.00 O ATOM 7812 C2* U A 368 139.671 56.966 21.358 0.00 0.00 C ATOM 7813 O2* U A 368 139.427 57.927 20.351 0.00 0.00 O ATOM 7814 C1* U A 368 141.145 56.543 21.253 0.00 0.00 C ATOM 7815 N1 U A 368 141.389 55.072 21.337 0.00 0.00 N ATOM 7816 C2 U A 368 141.954 54.403 20.238 0.00 0.00 C ATOM 7817 O2 U A 368 142.225 54.942 19.167 0.00 0.00 O ATOM 7818 N3 U A 368 142.240 53.061 20.401 0.00 0.00 N ATOM 7819 C4 U A 368 142.050 52.327 21.549 0.00 0.00 C ATOM 7820 O4 U A 368 142.353 51.142 21.577 0.00 0.00 O ATOM 7821 C5 U A 368 141.493 53.085 22.651 0.00 0.00 C ATOM 7822 C6 U A 368 141.183 54.403 22.524 0.00 0.00 C ATOM 7823 P G A 369 136.989 58.340 22.739 0.00 0.00 P ATOM 7824 O1P G A 369 136.750 56.948 23.197 0.00 0.00 O ATOM 7825 O2P G A 369 136.201 58.870 21.597 0.00 0.00 O ATOM 7826 O5* G A 369 136.666 59.220 24.028 0.00 0.00 O ATOM 7827 C5* G A 369 137.426 59.035 25.221 0.00 0.00 C ATOM 7828 C4* G A 369 137.150 60.135 26.237 0.00 0.00 C ATOM 7829 O4* G A 369 137.698 61.373 25.815 0.00 0.00 O ATOM 7830 C3* G A 369 135.658 60.312 26.455 0.00 0.00 C ATOM 7831 O3* G A 369 135.184 59.307 27.347 0.00 0.00 O ATOM 7832 C2* G A 369 135.624 61.772 26.912 0.00 0.00 C ATOM 7833 O2* G A 369 135.946 61.967 28.284 0.00 0.00 O ATOM 7834 C1* G A 369 136.747 62.395 26.057 0.00 0.00 C ATOM 7835 N9 G A 369 136.275 62.962 24.767 0.00 0.00 N ATOM 7836 C8 G A 369 136.645 62.676 23.475 0.00 0.00 C ATOM 7837 N7 G A 369 136.070 63.430 22.572 0.00 0.00 N ATOM 7838 C5 G A 369 135.255 64.293 23.318 0.00 0.00 C ATOM 7839 C6 G A 369 134.345 65.352 22.945 0.00 0.00 C ATOM 7840 O6 G A 369 134.060 65.810 21.838 0.00 0.00 O ATOM 7841 N1 G A 369 133.680 65.902 24.034 0.00 0.00 N ATOM 7842 C2 G A 369 133.906 65.529 25.330 0.00 0.00 C ATOM 7843 N2 G A 369 133.205 66.078 26.292 0.00 0.00 N ATOM 7844 N3 G A 369 134.774 64.603 25.712 0.00 0.00 N ATOM 7845 C4 G A 369 135.397 64.006 24.660 0.00 0.00 C ATOM 7846 P C A 370 133.704 58.717 27.217 0.00 0.00 P ATOM 7847 O1P C A 370 133.433 57.700 28.252 0.00 0.00 O ATOM 7848 O2P C A 370 133.432 58.323 25.810 0.00 0.00 O ATOM 7849 O5* C A 370 132.803 59.977 27.584 0.00 0.00 O ATOM 7850 C5* C A 370 132.832 60.508 28.903 0.00 0.00 C ATOM 7851 C4* C A 370 131.810 61.627 29.113 0.00 0.00 C ATOM 7852 O4* C A 370 132.150 62.850 28.467 0.00 0.00 O ATOM 7853 C3* C A 370 130.438 61.211 28.612 0.00 0.00 C ATOM 7854 O3* C A 370 129.816 60.313 29.527 0.00 0.00 O ATOM 7855 C2* C A 370 129.797 62.592 28.450 0.00 0.00 C ATOM 7856 O2* C A 370 129.390 63.184 29.681 0.00 0.00 O ATOM 7857 C1* C A 370 130.967 63.422 27.909 0.00 0.00 C ATOM 7858 N1 C A 370 131.026 63.436 26.416 0.00 0.00 N ATOM 7859 C2 C A 370 130.231 64.354 25.708 0.00 0.00 C ATOM 7860 O2 C A 370 129.390 65.056 26.284 0.00 0.00 O ATOM 7861 N3 C A 370 130.377 64.478 24.362 0.00 0.00 N ATOM 7862 C4 C A 370 131.261 63.708 23.730 0.00 0.00 C ATOM 7863 N4 C A 370 131.416 63.882 22.440 0.00 0.00 N ATOM 7864 C5 C A 370 132.069 62.746 24.397 0.00 0.00 C ATOM 7865 C6 C A 370 131.918 62.638 25.737 0.00 0.00 C ATOM 7866 P A A 371 128.786 59.196 29.008 0.00 0.00 P ATOM 7867 O1P A A 371 128.232 58.516 30.207 0.00 0.00 O ATOM 7868 O2P A A 371 129.432 58.405 27.927 0.00 0.00 O ATOM 7869 O5* A A 371 127.677 60.154 28.372 0.00 0.00 O ATOM 7870 C5* A A 371 126.915 60.994 29.212 0.00 0.00 C ATOM 7871 C4* A A 371 126.019 61.930 28.420 0.00 0.00 C ATOM 7872 O4* A A 371 126.659 63.014 27.730 0.00 0.00 O ATOM 7873 C3* A A 371 125.174 61.197 27.390 0.00 0.00 C ATOM 7874 O3* A A 371 124.225 60.366 28.041 0.00 0.00 O ATOM 7875 C2* A A 371 124.663 62.451 26.673 0.00 0.00 C ATOM 7876 O2* A A 371 123.855 63.260 27.522 0.00 0.00 O ATOM 7877 C1* A A 371 125.954 63.251 26.505 0.00 0.00 C ATOM 7878 N9 A A 371 126.744 62.850 25.315 0.00 0.00 N ATOM 7879 C8 A A 371 127.758 61.928 25.221 0.00 0.00 C ATOM 7880 N7 A A 371 128.311 61.851 24.044 0.00 0.00 N ATOM 7881 C5 A A 371 127.603 62.797 23.296 0.00 0.00 C ATOM 7882 C6 A A 371 127.682 63.248 21.962 0.00 0.00 C ATOM 7883 N6 A A 371 128.588 62.820 21.100 0.00 0.00 N ATOM 7884 N1 A A 371 126.817 64.166 21.504 0.00 0.00 N ATOM 7885 C2 A A 371 125.917 64.651 22.353 0.00 0.00 C ATOM 7886 N3 A A 371 125.755 64.364 23.648 0.00 0.00 N ATOM 7887 C4 A A 371 126.638 63.405 24.057 0.00 0.00 C ATOM 7888 P C A 372 123.473 59.172 27.282 0.00 0.00 P ATOM 7889 O1P C A 372 122.774 58.340 28.289 0.00 0.00 O ATOM 7890 O2P C A 372 124.422 58.506 26.363 0.00 0.00 O ATOM 7891 O5* C A 372 122.386 59.917 26.388 0.00 0.00 O ATOM 7892 C5* C A 372 121.596 60.974 26.903 0.00 0.00 C ATOM 7893 C4* C A 372 120.993 61.740 25.722 0.00 0.00 C ATOM 7894 O4* C A 372 121.912 62.101 24.704 0.00 0.00 O ATOM 7895 C3* C A 372 119.944 60.839 25.049 0.00 0.00 C ATOM 7896 O3* C A 372 118.602 61.003 25.533 0.00 0.00 O ATOM 7897 C2* C A 372 120.244 61.001 23.549 0.00 0.00 C ATOM 7898 O2* C A 372 119.083 60.984 22.742 0.00 0.00 O ATOM 7899 C1* C A 372 121.146 62.242 23.515 0.00 0.00 C ATOM 7900 N1 C A 372 122.007 62.318 22.293 0.00 0.00 N ATOM 7901 C2 C A 372 121.546 63.050 21.192 0.00 0.00 C ATOM 7902 O2 C A 372 120.475 63.639 21.259 0.00 0.00 O ATOM 7903 N3 C A 372 122.287 63.119 20.050 0.00 0.00 N ATOM 7904 C4 C A 372 123.429 62.457 19.986 0.00 0.00 C ATOM 7905 N4 C A 372 124.078 62.503 18.849 0.00 0.00 N ATOM 7906 C5 C A 372 123.953 61.710 21.085 0.00 0.00 C ATOM 7907 C6 C A 372 123.223 61.681 22.227 0.00 0.00 C ATOM 7908 P A A 373 117.804 62.408 25.586 0.00 0.00 P ATOM 7909 O1P A A 373 116.428 62.008 25.990 0.00 0.00 O ATOM 7910 O2P A A 373 118.033 63.150 24.341 0.00 0.00 O ATOM 7911 O5* A A 373 118.566 63.154 26.794 0.00 0.00 O ATOM 7912 C5* A A 373 117.958 63.763 27.908 0.00 0.00 C ATOM 7913 C4* A A 373 117.961 65.299 27.898 0.00 0.00 C ATOM 7914 O4* A A 373 119.173 65.749 28.494 0.00 0.00 O ATOM 7915 C3* A A 373 117.797 66.006 26.546 0.00 0.00 C ATOM 7916 O3* A A 373 116.421 66.204 26.257 0.00 0.00 O ATOM 7917 C2* A A 373 118.546 67.311 26.852 0.00 0.00 C ATOM 7918 O2* A A 373 117.780 68.253 27.578 0.00 0.00 O ATOM 7919 C1* A A 373 119.624 66.917 27.841 0.00 0.00 C ATOM 7920 N9 A A 373 120.879 66.641 27.144 0.00 0.00 N ATOM 7921 C8 A A 373 121.500 65.433 26.983 0.00 0.00 C ATOM 7922 N7 A A 373 122.640 65.492 26.350 0.00 0.00 N ATOM 7923 C5 A A 373 122.713 66.853 26.004 0.00 0.00 C ATOM 7924 C6 A A 373 123.617 67.627 25.254 0.00 0.00 C ATOM 7925 N6 A A 373 124.646 67.096 24.640 0.00 0.00 N ATOM 7926 N1 A A 373 123.488 68.956 25.140 0.00 0.00 N ATOM 7927 C2 A A 373 122.423 69.509 25.709 0.00 0.00 C ATOM 7928 N3 A A 373 121.466 68.916 26.419 0.00 0.00 N ATOM 7929 C4 A A 373 121.672 67.569 26.519 0.00 0.00 C ATOM 7930 P A A 374 115.840 66.752 24.855 0.00 0.00 P ATOM 7931 O1P A A 374 114.428 67.108 25.140 0.00 0.00 O ATOM 7932 O2P A A 374 116.084 65.753 23.792 0.00 0.00 O ATOM 7933 O5* A A 374 116.653 68.089 24.379 0.00 0.00 O ATOM 7934 C5* A A 374 116.264 69.360 24.870 0.00 0.00 C ATOM 7935 C4* A A 374 116.832 70.667 24.302 0.00 0.00 C ATOM 7936 O4* A A 374 118.157 71.005 24.703 0.00 0.00 O ATOM 7937 C3* A A 374 116.770 70.704 22.787 0.00 0.00 C ATOM 7938 O3* A A 374 115.466 71.034 22.347 0.00 0.00 O ATOM 7939 C2* A A 374 117.867 71.729 22.471 0.00 0.00 C ATOM 7940 O2* A A 374 117.520 73.095 22.658 0.00 0.00 O ATOM 7941 C1* A A 374 118.898 71.344 23.533 0.00 0.00 C ATOM 7942 N9 A A 374 119.657 70.143 23.125 0.00 0.00 N ATOM 7943 C8 A A 374 119.582 68.902 23.686 0.00 0.00 C ATOM 7944 N7 A A 374 120.407 68.026 23.188 0.00 0.00 N ATOM 7945 C5 A A 374 121.019 68.734 22.151 0.00 0.00 C ATOM 7946 C6 A A 374 121.960 68.395 21.153 0.00 0.00 C ATOM 7947 N6 A A 374 122.526 67.201 21.086 0.00 0.00 N ATOM 7948 N1 A A 374 122.282 69.282 20.193 0.00 0.00 N ATOM 7949 C2 A A 374 121.727 70.489 20.266 0.00 0.00 C ATOM 7950 N3 A A 374 120.871 70.965 21.165 0.00 0.00 N ATOM 7951 C4 A A 374 120.545 70.018 22.087 0.00 0.00 C ATOM 7952 P U A 375 114.702 70.144 21.244 0.00 0.00 P ATOM 7953 O1P U A 375 113.268 70.475 21.322 0.00 0.00 O ATOM 7954 O2P U A 375 115.178 68.733 21.348 0.00 0.00 O ATOM 7955 O5* U A 375 115.294 70.786 19.900 0.00 0.00 O ATOM 7956 C5* U A 375 115.487 72.182 19.742 0.00 0.00 C ATOM 7957 C4* U A 375 116.384 72.540 18.579 0.00 0.00 C ATOM 7958 O4* U A 375 117.747 72.408 18.947 0.00 0.00 O ATOM 7959 C3* U A 375 116.093 71.695 17.351 0.00 0.00 C ATOM 7960 O3* U A 375 115.009 72.307 16.679 0.00 0.00 O ATOM 7961 C2* U A 375 117.485 71.762 16.698 0.00 0.00 C ATOM 7962 O2* U A 375 117.820 72.995 16.066 0.00 0.00 O ATOM 7963 C1* U A 375 118.410 71.707 17.916 0.00 0.00 C ATOM 7964 N1 U A 375 118.722 70.326 18.358 0.00 0.00 N ATOM 7965 C2 U A 375 119.736 69.658 17.673 0.00 0.00 C ATOM 7966 O2 U A 375 120.411 70.172 16.774 0.00 0.00 O ATOM 7967 N3 U A 375 120.000 68.377 18.096 0.00 0.00 N ATOM 7968 C4 U A 375 119.439 67.729 19.172 0.00 0.00 C ATOM 7969 O4 U A 375 119.823 66.607 19.466 0.00 0.00 O ATOM 7970 C5 U A 375 118.469 68.516 19.896 0.00 0.00 C ATOM 7971 C6 U A 375 118.140 69.762 19.478 0.00 0.00 C ATOM 7972 P G A 376 113.862 71.517 15.860 0.00 0.00 P ATOM 7973 O1P G A 376 113.085 72.548 15.135 0.00 0.00 O ATOM 7974 O2P G A 376 113.143 70.533 16.702 0.00 0.00 O ATOM 7975 O5* G A 376 114.783 70.729 14.823 0.00 0.00 O ATOM 7976 C5* G A 376 115.453 71.411 13.785 0.00 0.00 C ATOM 7977 C4* G A 376 116.424 70.471 13.086 0.00 0.00 C ATOM 7978 O4* G A 376 117.543 70.165 13.901 0.00 0.00 O ATOM 7979 C3* G A 376 115.796 69.141 12.672 0.00 0.00 C ATOM 7980 O3* G A 376 114.998 69.350 11.521 0.00 0.00 O ATOM 7981 C2* G A 376 117.091 68.348 12.460 0.00 0.00 C ATOM 7982 O2* G A 376 117.798 68.706 11.281 0.00 0.00 O ATOM 7983 C1* G A 376 117.954 68.840 13.620 0.00 0.00 C ATOM 7984 N9 G A 376 117.821 67.959 14.800 0.00 0.00 N ATOM 7985 C8 G A 376 117.065 68.095 15.938 0.00 0.00 C ATOM 7986 N7 G A 376 117.211 67.116 16.789 0.00 0.00 N ATOM 7987 C5 G A 376 118.105 66.242 16.160 0.00 0.00 C ATOM 7988 C6 G A 376 118.651 64.964 16.541 0.00 0.00 C ATOM 7989 O6 G A 376 118.492 64.284 17.550 0.00 0.00 O ATOM 7990 N1 G A 376 119.486 64.426 15.581 0.00 0.00 N ATOM 7991 C2 G A 376 119.777 65.024 14.398 0.00 0.00 C ATOM 7992 N2 G A 376 120.621 64.393 13.614 0.00 0.00 N ATOM 7993 N3 G A 376 119.307 66.207 14.009 0.00 0.00 N ATOM 7994 C4 G A 376 118.472 66.762 14.936 0.00 0.00 C ATOM 7995 P G A 377 113.943 68.306 10.919 0.00 0.00 P ATOM 7996 O1P G A 377 113.530 68.884 9.617 0.00 0.00 O ATOM 7997 O2P G A 377 112.922 67.884 11.899 0.00 0.00 O ATOM 7998 O5* G A 377 114.771 66.970 10.659 0.00 0.00 O ATOM 7999 C5* G A 377 115.608 66.844 9.537 0.00 0.00 C ATOM 8000 C4* G A 377 116.417 65.550 9.622 0.00 0.00 C ATOM 8001 O4* G A 377 117.254 65.489 10.773 0.00 0.00 O ATOM 8002 C3* G A 377 115.538 64.312 9.709 0.00 0.00 C ATOM 8003 O3* G A 377 114.877 64.066 8.481 0.00 0.00 O ATOM 8004 C2* G A 377 116.589 63.285 10.130 0.00 0.00 C ATOM 8005 O2* G A 377 117.457 62.932 9.063 0.00 0.00 O ATOM 8006 C1* G A 377 117.395 64.115 11.140 0.00 0.00 C ATOM 8007 N9 G A 377 116.940 63.863 12.534 0.00 0.00 N ATOM 8008 C8 G A 377 116.191 64.640 13.383 0.00 0.00 C ATOM 8009 N7 G A 377 116.011 64.118 14.568 0.00 0.00 N ATOM 8010 C5 G A 377 116.655 62.876 14.502 0.00 0.00 C ATOM 8011 C6 G A 377 116.812 61.803 15.458 0.00 0.00 C ATOM 8012 O6 G A 377 116.472 61.723 16.639 0.00 0.00 O ATOM 8013 N1 G A 377 117.463 60.700 14.929 0.00 0.00 N ATOM 8014 C2 G A 377 117.976 60.658 13.663 0.00 0.00 C ATOM 8015 N2 G A 377 118.540 59.547 13.255 0.00 0.00 N ATOM 8016 N3 G A 377 117.912 61.652 12.780 0.00 0.00 N ATOM 8017 C4 G A 377 117.219 62.726 13.251 0.00 0.00 C ATOM 8018 P G A 378 113.495 63.272 8.427 0.00 0.00 P ATOM 8019 O1P G A 378 112.936 63.444 7.069 0.00 0.00 O ATOM 8020 O2P G A 378 112.708 63.734 9.607 0.00 0.00 O ATOM 8021 O5* G A 378 113.960 61.733 8.631 0.00 0.00 O ATOM 8022 C5* G A 378 114.701 61.036 7.629 0.00 0.00 C ATOM 8023 C4* G A 378 114.971 59.569 8.002 0.00 0.00 C ATOM 8024 O4* G A 378 115.872 59.481 9.101 0.00 0.00 O ATOM 8025 C3* G A 378 113.708 58.792 8.374 0.00 0.00 C ATOM 8026 O3* G A 378 112.984 58.352 7.224 0.00 0.00 O ATOM 8027 C2* G A 378 114.314 57.683 9.255 0.00 0.00 C ATOM 8028 O2* G A 378 114.899 56.607 8.527 0.00 0.00 O ATOM 8029 C1* G A 378 115.446 58.439 9.970 0.00 0.00 C ATOM 8030 N9 G A 378 115.021 59.005 11.276 0.00 0.00 N ATOM 8031 C8 G A 378 114.628 60.283 11.586 0.00 0.00 C ATOM 8032 N7 G A 378 114.409 60.484 12.858 0.00 0.00 N ATOM 8033 C5 G A 378 114.653 59.240 13.448 0.00 0.00 C ATOM 8034 C6 G A 378 114.570 58.792 14.818 0.00 0.00 C ATOM 8035 O6 G A 378 114.279 59.406 15.845 0.00 0.00 O ATOM 8036 N1 G A 378 114.860 57.448 14.960 0.00 0.00 N ATOM 8037 C2 G A 378 115.198 56.626 13.922 0.00 0.00 C ATOM 8038 N2 G A 378 115.406 55.363 14.204 0.00 0.00 N ATOM 8039 N3 G A 378 115.297 57.004 12.646 0.00 0.00 N ATOM 8040 C4 G A 378 115.011 58.328 12.473 0.00 0.00 C ATOM 8041 P C A 379 111.411 58.013 7.282 0.00 0.00 P ATOM 8042 O1P C A 379 110.910 57.482 5.991 0.00 0.00 O ATOM 8043 O2P C A 379 110.672 59.095 7.975 0.00 0.00 O ATOM 8044 O5* C A 379 111.323 56.817 8.300 0.00 0.00 O ATOM 8045 C5* C A 379 111.628 55.499 7.918 0.00 0.00 C ATOM 8046 C4* C A 379 111.384 54.611 9.127 0.00 0.00 C ATOM 8047 O4* C A 379 112.285 54.902 10.204 0.00 0.00 O ATOM 8048 C3* C A 379 109.965 54.764 9.682 0.00 0.00 C ATOM 8049 O3* C A 379 108.959 54.140 8.887 0.00 0.00 O ATOM 8050 C2* C A 379 110.236 54.115 11.038 0.00 0.00 C ATOM 8051 O2* C A 379 110.371 52.707 10.858 0.00 0.00 O ATOM 8052 C1* C A 379 111.598 54.708 11.439 0.00 0.00 C ATOM 8053 N1 C A 379 111.497 55.991 12.221 0.00 0.00 N ATOM 8054 C2 C A 379 111.608 55.961 13.625 0.00 0.00 C ATOM 8055 O2 C A 379 111.789 54.908 14.235 0.00 0.00 O ATOM 8056 N3 C A 379 111.515 57.111 14.350 0.00 0.00 N ATOM 8057 C4 C A 379 111.342 58.267 13.716 0.00 0.00 C ATOM 8058 N4 C A 379 111.291 59.363 14.439 0.00 0.00 N ATOM 8059 C5 C A 379 111.259 58.357 12.295 0.00 0.00 C ATOM 8060 C6 C A 379 111.340 57.204 11.589 0.00 0.00 C ATOM 8061 P G A 380 107.403 54.501 9.089 0.00 0.00 P ATOM 8062 O1P G A 380 106.562 53.570 8.306 0.00 0.00 O ATOM 8063 O2P G A 380 107.200 55.966 8.914 0.00 0.00 O ATOM 8064 O5* G A 380 107.170 54.164 10.632 0.00 0.00 O ATOM 8065 C5* G A 380 107.110 52.829 11.121 0.00 0.00 C ATOM 8066 C4* G A 380 106.914 52.861 12.638 0.00 0.00 C ATOM 8067 O4* G A 380 107.989 53.497 13.327 0.00 0.00 O ATOM 8068 C3* G A 380 105.661 53.645 13.003 0.00 0.00 C ATOM 8069 O3* G A 380 104.472 52.910 12.777 0.00 0.00 O ATOM 8070 C2* G A 380 105.971 53.924 14.468 0.00 0.00 C ATOM 8071 O2* G A 380 105.778 52.799 15.295 0.00 0.00 O ATOM 8072 C1* G A 380 107.472 54.200 14.453 0.00 0.00 C ATOM 8073 N9 G A 380 107.738 55.657 14.362 0.00 0.00 N ATOM 8074 C8 G A 380 107.885 56.436 13.243 0.00 0.00 C ATOM 8075 N7 G A 380 108.036 57.711 13.484 0.00 0.00 N ATOM 8076 C5 G A 380 107.962 57.794 14.884 0.00 0.00 C ATOM 8077 C6 G A 380 108.015 58.923 15.785 0.00 0.00 C ATOM 8078 O6 G A 380 108.164 60.120 15.541 0.00 0.00 O ATOM 8079 N1 G A 380 107.877 58.574 17.121 0.00 0.00 N ATOM 8080 C2 G A 380 107.675 57.288 17.533 0.00 0.00 C ATOM 8081 N2 G A 380 107.492 57.114 18.816 0.00 0.00 N ATOM 8082 N3 G A 380 107.669 56.212 16.745 0.00 0.00 N ATOM 8083 C4 G A 380 107.797 56.532 15.423 0.00 0.00 C ATOM 8084 P C A 381 103.202 53.589 12.099 0.00 0.00 P ATOM 8085 O1P C A 381 102.189 52.520 12.019 0.00 0.00 O ATOM 8086 O2P C A 381 103.651 54.161 10.803 0.00 0.00 O ATOM 8087 O5* C A 381 102.730 54.723 13.132 0.00 0.00 O ATOM 8088 C5* C A 381 101.948 55.830 12.720 0.00 0.00 C ATOM 8089 C4* C A 381 101.151 56.410 13.899 0.00 0.00 C ATOM 8090 O4* C A 381 100.219 55.427 14.348 0.00 0.00 O ATOM 8091 C3* C A 381 101.987 56.845 15.109 0.00 0.00 C ATOM 8092 O3* C A 381 102.444 58.195 15.055 0.00 0.00 O ATOM 8093 C2* C A 381 100.964 56.644 16.233 0.00 0.00 C ATOM 8094 O2* C A 381 100.063 57.734 16.397 0.00 0.00 O ATOM 8095 C1* C A 381 100.121 55.451 15.766 0.00 0.00 C ATOM 8096 N1 C A 381 100.534 54.170 16.422 0.00 0.00 N ATOM 8097 C2 C A 381 100.338 54.044 17.806 0.00 0.00 C ATOM 8098 O2 C A 381 99.715 54.906 18.433 0.00 0.00 O ATOM 8099 N3 C A 381 100.807 52.949 18.463 0.00 0.00 N ATOM 8100 C4 C A 381 101.377 51.971 17.774 0.00 0.00 C ATOM 8101 N4 C A 381 101.864 50.974 18.482 0.00 0.00 N ATOM 8102 C5 C A 381 101.466 51.988 16.349 0.00 0.00 C ATOM 8103 C6 C A 381 101.033 53.105 15.710 0.00 0.00 C ATOM 8104 P A A 382 103.766 58.678 15.847 0.00 0.00 P ATOM 8105 O1P A A 382 103.820 60.154 15.743 0.00 0.00 O ATOM 8106 O2P A A 382 104.886 57.870 15.333 0.00 0.00 O ATOM 8107 O5* A A 382 103.587 58.303 17.412 0.00 0.00 O ATOM 8108 C5* A A 382 102.702 58.974 18.292 0.00 0.00 C ATOM 8109 C4* A A 382 102.566 58.204 19.622 0.00 0.00 C ATOM 8110 O4* A A 382 101.970 56.933 19.410 0.00 0.00 O ATOM 8111 C3* A A 382 103.877 57.963 20.374 0.00 0.00 C ATOM 8112 O3* A A 382 104.223 59.091 21.165 0.00 0.00 O ATOM 8113 C2* A A 382 103.529 56.706 21.176 0.00 0.00 C ATOM 8114 O2* A A 382 102.736 56.941 22.327 0.00 0.00 O ATOM 8115 C1* A A 382 102.656 55.956 20.177 0.00 0.00 C ATOM 8116 N9 A A 382 103.469 55.070 19.314 0.00 0.00 N ATOM 8117 C8 A A 382 103.853 55.215 17.997 0.00 0.00 C ATOM 8118 N7 A A 382 104.487 54.190 17.501 0.00 0.00 N ATOM 8119 C5 A A 382 104.542 53.318 18.589 0.00 0.00 C ATOM 8120 C6 A A 382 105.051 52.025 18.759 0.00 0.00 C ATOM 8121 N6 A A 382 105.655 51.378 17.792 0.00 0.00 N ATOM 8122 N1 A A 382 104.896 51.372 19.916 0.00 0.00 N ATOM 8123 C2 A A 382 104.297 52.004 20.914 0.00 0.00 C ATOM 8124 N3 A A 382 103.776 53.230 20.909 0.00 0.00 N ATOM 8125 C4 A A 382 103.927 53.835 19.694 0.00 0.00 C ATOM 8126 P A A 383 105.707 59.343 21.705 0.00 0.00 P ATOM 8127 O1P A A 383 105.700 60.712 22.245 0.00 0.00 O ATOM 8128 O2P A A 383 106.570 59.081 20.524 0.00 0.00 O ATOM 8129 O5* A A 383 106.017 58.259 22.854 0.00 0.00 O ATOM 8130 C5* A A 383 105.366 58.228 24.109 0.00 0.00 C ATOM 8131 C4* A A 383 105.601 56.866 24.793 0.00 0.00 C ATOM 8132 O4* A A 383 105.058 55.801 24.013 0.00 0.00 O ATOM 8133 C3* A A 383 107.072 56.529 25.059 0.00 0.00 C ATOM 8134 O3* A A 383 107.534 57.022 26.310 0.00 0.00 O ATOM 8135 C2* A A 383 107.037 54.993 25.065 0.00 0.00 C ATOM 8136 O2* A A 383 106.679 54.456 26.341 0.00 0.00 O ATOM 8137 C1* A A 383 105.965 54.699 24.012 0.00 0.00 C ATOM 8138 N9 A A 383 106.588 54.509 22.674 0.00 0.00 N ATOM 8139 C8 A A 383 106.816 55.428 21.676 0.00 0.00 C ATOM 8140 N7 A A 383 107.300 54.926 20.578 0.00 0.00 N ATOM 8141 C5 A A 383 107.485 53.585 20.894 0.00 0.00 C ATOM 8142 C6 A A 383 108.064 52.505 20.201 0.00 0.00 C ATOM 8143 N6 A A 383 108.563 52.627 18.982 0.00 0.00 N ATOM 8144 N1 A A 383 108.201 51.323 20.807 0.00 0.00 N ATOM 8145 C2 A A 383 107.725 51.189 22.040 0.00 0.00 C ATOM 8146 N3 A A 383 107.155 52.118 22.814 0.00 0.00 N ATOM 8147 C4 A A 383 107.076 53.319 22.174 0.00 0.00 C ATOM 8148 P G A 384 108.943 57.747 26.468 0.00 0.00 P ATOM 8149 O1P G A 384 109.297 57.507 27.886 0.00 0.00 O ATOM 8150 O2P G A 384 108.779 59.154 26.064 0.00 0.00 O ATOM 8151 O5* G A 384 109.981 56.986 25.513 0.00 0.00 O ATOM 8152 C5* G A 384 110.326 55.631 25.726 0.00 0.00 C ATOM 8153 C4* G A 384 110.661 54.917 24.413 0.00 0.00 C ATOM 8154 O4* G A 384 109.823 55.288 23.326 0.00 0.00 O ATOM 8155 C3* G A 384 112.087 55.122 23.930 0.00 0.00 C ATOM 8156 O3* G A 384 112.979 54.452 24.814 0.00 0.00 O ATOM 8157 C2* G A 384 111.913 54.511 22.530 0.00 0.00 C ATOM 8158 O2* G A 384 111.845 53.092 22.582 0.00 0.00 O ATOM 8159 C1* G A 384 110.516 54.995 22.116 0.00 0.00 C ATOM 8160 N9 G A 384 110.545 56.186 21.228 0.00 0.00 N ATOM 8161 C8 G A 384 110.347 57.507 21.542 0.00 0.00 C ATOM 8162 N7 G A 384 110.456 58.328 20.529 0.00 0.00 N ATOM 8163 C5 G A 384 110.698 57.485 19.439 0.00 0.00 C ATOM 8164 C6 G A 384 110.890 57.760 18.033 0.00 0.00 C ATOM 8165 O6 G A 384 110.904 58.831 17.427 0.00 0.00 O ATOM 8166 N1 G A 384 111.100 56.622 17.282 0.00 0.00 N ATOM 8167 C2 G A 384 111.139 55.372 17.808 0.00 0.00 C ATOM 8168 N2 G A 384 111.389 54.407 16.973 0.00 0.00 N ATOM 8169 N3 G A 384 110.965 55.073 19.096 0.00 0.00 N ATOM 8170 C4 G A 384 110.745 56.174 19.867 0.00 0.00 C ATOM 8171 P C A 385 114.558 54.717 24.822 0.00 0.00 P ATOM 8172 O1P C A 385 115.129 53.851 25.885 0.00 0.00 O ATOM 8173 O2P C A 385 114.811 56.172 24.852 0.00 0.00 O ATOM 8174 O5* C A 385 115.050 54.138 23.413 0.00 0.00 O ATOM 8175 C5* C A 385 115.033 52.751 23.128 0.00 0.00 C ATOM 8176 C4* C A 385 115.326 52.480 21.656 0.00 0.00 C ATOM 8177 O4* C A 385 114.336 52.983 20.752 0.00 0.00 O ATOM 8178 C3* C A 385 116.671 53.034 21.176 0.00 0.00 C ATOM 8179 O3* C A 385 117.803 52.321 21.676 0.00 0.00 O ATOM 8180 C2* C A 385 116.405 52.834 19.683 0.00 0.00 C ATOM 8181 O2* C A 385 116.354 51.436 19.424 0.00 0.00 O ATOM 8182 C1* C A 385 114.975 53.364 19.522 0.00 0.00 C ATOM 8183 N1 C A 385 114.865 54.850 19.317 0.00 0.00 N ATOM 8184 C2 C A 385 114.804 55.409 18.020 0.00 0.00 C ATOM 8185 O2 C A 385 115.076 54.765 17.004 0.00 0.00 O ATOM 8186 N3 C A 385 114.438 56.716 17.864 0.00 0.00 N ATOM 8187 C4 C A 385 114.132 57.443 18.935 0.00 0.00 C ATOM 8188 N4 C A 385 113.743 58.685 18.765 0.00 0.00 N ATOM 8189 C5 C A 385 114.230 56.943 20.260 0.00 0.00 C ATOM 8190 C6 C A 385 114.627 55.659 20.404 0.00 0.00 C ATOM 8191 P C A 386 119.248 53.001 21.738 0.00 0.00 P ATOM 8192 O1P C A 386 120.168 51.906 22.137 0.00 0.00 O ATOM 8193 O2P C A 386 119.219 54.140 22.677 0.00 0.00 O ATOM 8194 O5* C A 386 119.621 53.514 20.265 0.00 0.00 O ATOM 8195 C5* C A 386 119.974 52.616 19.221 0.00 0.00 C ATOM 8196 C4* C A 386 120.140 53.315 17.860 0.00 0.00 C ATOM 8197 O4* C A 386 118.906 53.853 17.389 0.00 0.00 O ATOM 8198 C3* C A 386 121.116 54.493 17.855 0.00 0.00 C ATOM 8199 O3* C A 386 122.505 54.157 17.930 0.00 0.00 O ATOM 8200 C2* C A 386 120.687 55.155 16.536 0.00 0.00 C ATOM 8201 O2* C A 386 121.175 54.462 15.392 0.00 0.00 O ATOM 8202 C1* C A 386 119.161 54.999 16.577 0.00 0.00 C ATOM 8203 N1 C A 386 118.498 56.215 17.149 0.00 0.00 N ATOM 8204 C2 C A 386 118.173 57.304 16.316 0.00 0.00 C ATOM 8205 O2 C A 386 118.437 57.311 15.110 0.00 0.00 O ATOM 8206 N3 C A 386 117.566 58.403 16.844 0.00 0.00 N ATOM 8207 C4 C A 386 117.286 58.429 18.144 0.00 0.00 C ATOM 8208 N4 C A 386 116.725 59.515 18.619 0.00 0.00 N ATOM 8209 C5 C A 386 117.635 57.374 19.036 0.00 0.00 C ATOM 8210 C6 C A 386 118.236 56.288 18.497 0.00 0.00 C ATOM 8211 P U A 387 123.555 55.226 18.520 0.00 0.00 P ATOM 8212 O1P U A 387 124.934 54.685 18.369 0.00 0.00 O ATOM 8213 O2P U A 387 123.111 55.612 19.870 0.00 0.00 O ATOM 8214 O5* U A 387 123.421 56.503 17.563 0.00 0.00 O ATOM 8215 C5* U A 387 123.849 56.479 16.207 0.00 0.00 C ATOM 8216 C4* U A 387 123.590 57.833 15.532 0.00 0.00 C ATOM 8217 O4* U A 387 122.211 58.183 15.501 0.00 0.00 O ATOM 8218 C3* U A 387 124.243 58.976 16.292 0.00 0.00 C ATOM 8219 O3* U A 387 125.649 58.997 16.184 0.00 0.00 O ATOM 8220 C2* U A 387 123.528 60.183 15.686 0.00 0.00 C ATOM 8221 O2* U A 387 124.021 60.549 14.402 0.00 0.00 O ATOM 8222 C1* U A 387 122.107 59.607 15.550 0.00 0.00 C ATOM 8223 N1 U A 387 121.246 60.046 16.688 0.00 0.00 N ATOM 8224 C2 U A 387 120.532 61.240 16.544 0.00 0.00 C ATOM 8225 O2 U A 387 120.603 61.934 15.527 0.00 0.00 O ATOM 8226 N3 U A 387 119.736 61.629 17.613 0.00 0.00 N ATOM 8227 C4 U A 387 119.607 60.952 18.807 0.00 0.00 C ATOM 8228 O4 U A 387 118.850 61.361 19.677 0.00 0.00 O ATOM 8229 C5 U A 387 120.411 59.753 18.900 0.00 0.00 C ATOM 8230 C6 U A 387 121.192 59.337 17.869 0.00 0.00 C ATOM 8231 P G A 388 126.537 59.399 17.441 0.00 0.00 P ATOM 8232 O1P G A 388 127.041 58.127 18.018 0.00 0.00 O ATOM 8233 O2P G A 388 125.760 60.348 18.280 0.00 0.00 O ATOM 8234 O5* G A 388 127.766 60.174 16.765 0.00 0.00 O ATOM 8235 C5* G A 388 127.740 61.579 16.560 0.00 0.00 C ATOM 8236 C4* G A 388 129.131 62.141 16.213 0.00 0.00 C ATOM 8237 O4* G A 388 130.065 61.628 17.161 0.00 0.00 O ATOM 8238 C3* G A 388 129.642 61.778 14.807 0.00 0.00 C ATOM 8239 O3* G A 388 130.547 62.792 14.367 0.00 0.00 O ATOM 8240 C2* G A 388 130.312 60.446 15.131 0.00 0.00 C ATOM 8241 O2* G A 388 131.293 60.014 14.223 0.00 0.00 O ATOM 8242 C1* G A 388 130.931 60.732 16.489 0.00 0.00 C ATOM 8243 N9 G A 388 131.190 59.505 17.280 0.00 0.00 N ATOM 8244 C8 G A 388 130.428 58.368 17.436 0.00 0.00 C ATOM 8245 N7 G A 388 130.959 57.454 18.209 0.00 0.00 N ATOM 8246 C5 G A 388 132.166 58.045 18.613 0.00 0.00 C ATOM 8247 C6 G A 388 133.193 57.589 19.512 0.00 0.00 C ATOM 8248 O6 G A 388 133.292 56.530 20.130 0.00 0.00 O ATOM 8249 N1 G A 388 134.197 58.522 19.696 0.00 0.00 N ATOM 8250 C2 G A 388 134.279 59.701 19.024 0.00 0.00 C ATOM 8251 N2 G A 388 135.307 60.448 19.343 0.00 0.00 N ATOM 8252 N3 G A 388 133.377 60.152 18.151 0.00 0.00 N ATOM 8253 C4 G A 388 132.325 59.283 18.016 0.00 0.00 C ATOM 8254 P A A 389 130.436 63.444 12.896 0.00 0.00 P ATOM 8255 O1P A A 389 130.584 62.406 11.838 0.00 0.00 O ATOM 8256 O2P A A 389 131.288 64.653 12.825 0.00 0.00 O ATOM 8257 O5* A A 389 128.919 63.996 12.936 0.00 0.00 O ATOM 8258 C5* A A 389 128.210 64.207 11.737 0.00 0.00 C ATOM 8259 C4* A A 389 126.986 65.134 11.873 0.00 0.00 C ATOM 8260 O4* A A 389 125.895 64.437 12.465 0.00 0.00 O ATOM 8261 C3* A A 389 127.130 66.418 12.704 0.00 0.00 C ATOM 8262 O3* A A 389 127.837 67.480 12.069 0.00 0.00 O ATOM 8263 C2* A A 389 125.639 66.760 12.854 0.00 0.00 C ATOM 8264 O2* A A 389 125.127 67.401 11.692 0.00 0.00 O ATOM 8265 C1* A A 389 124.956 65.393 12.935 0.00 0.00 C ATOM 8266 N9 A A 389 124.477 65.069 14.300 0.00 0.00 N ATOM 8267 C8 A A 389 124.825 64.036 15.136 0.00 0.00 C ATOM 8268 N7 A A 389 124.149 63.995 16.257 0.00 0.00 N ATOM 8269 C5 A A 389 123.304 65.106 16.159 0.00 0.00 C ATOM 8270 C6 A A 389 122.322 65.696 16.989 0.00 0.00 C ATOM 8271 N6 A A 389 121.923 65.266 18.172 0.00 0.00 N ATOM 8272 N1 A A 389 121.693 66.803 16.588 0.00 0.00 N ATOM 8273 C2 A A 389 121.959 67.306 15.394 0.00 0.00 C ATOM 8274 N3 A A 389 122.821 66.845 14.500 0.00 0.00 N ATOM 8275 C4 A A 389 123.484 65.747 14.960 0.00 0.00 C ATOM 8276 P U A 390 128.528 68.670 12.912 0.00 0.00 P ATOM 8277 O1P U A 390 128.572 69.883 12.075 0.00 0.00 O ATOM 8278 O2P U A 390 129.804 68.086 13.393 0.00 0.00 O ATOM 8279 O5* U A 390 127.551 68.979 14.172 0.00 0.00 O ATOM 8280 C5* U A 390 126.398 69.813 14.077 0.00 0.00 C ATOM 8281 C4* U A 390 125.511 69.733 15.336 0.00 0.00 C ATOM 8282 O4* U A 390 125.126 68.410 15.679 0.00 0.00 O ATOM 8283 C3* U A 390 126.078 70.349 16.615 0.00 0.00 C ATOM 8284 O3* U A 390 125.951 71.743 16.496 0.00 0.00 O ATOM 8285 C2* U A 390 125.124 69.696 17.635 0.00 0.00 C ATOM 8286 O2* U A 390 123.805 70.232 17.595 0.00 0.00 O ATOM 8287 C1* U A 390 125.040 68.275 17.087 0.00 0.00 C ATOM 8288 N1 U A 390 126.112 67.364 17.580 0.00 0.00 N ATOM 8289 C2 U A 390 125.801 66.517 18.650 0.00 0.00 C ATOM 8290 O2 U A 390 124.755 66.608 19.298 0.00 0.00 O ATOM 8291 N3 U A 390 126.736 65.547 18.961 0.00 0.00 N ATOM 8292 C4 U A 390 127.948 65.352 18.337 0.00 0.00 C ATOM 8293 O4 U A 390 128.666 64.422 18.685 0.00 0.00 O ATOM 8294 C5 U A 390 128.232 66.307 17.287 0.00 0.00 C ATOM 8295 C6 U A 390 127.337 67.268 16.947 0.00 0.00 C ATOM 8296 P G A 391 126.463 72.803 17.559 0.00 0.00 P ATOM 8297 O1P G A 391 125.674 73.996 17.173 0.00 0.00 O ATOM 8298 O2P G A 391 127.938 72.811 17.533 0.00 0.00 O ATOM 8299 O5* G A 391 125.967 72.306 19.001 0.00 0.00 O ATOM 8300 C5* G A 391 124.757 72.753 19.587 0.00 0.00 C ATOM 8301 C4* G A 391 124.663 72.221 21.019 0.00 0.00 C ATOM 8302 O4* G A 391 124.684 70.808 21.006 0.00 0.00 O ATOM 8303 C3* G A 391 125.814 72.672 21.918 0.00 0.00 C ATOM 8304 O3* G A 391 125.567 73.966 22.432 0.00 0.00 O ATOM 8305 C2* G A 391 125.782 71.566 22.975 0.00 0.00 C ATOM 8306 O2* G A 391 124.758 71.749 23.948 0.00 0.00 O ATOM 8307 C1* G A 391 125.404 70.348 22.131 0.00 0.00 C ATOM 8308 N9 G A 391 126.579 69.569 21.677 0.00 0.00 N ATOM 8309 C8 G A 391 127.237 69.564 20.474 0.00 0.00 C ATOM 8310 N7 G A 391 128.057 68.559 20.316 0.00 0.00 N ATOM 8311 C5 G A 391 128.043 67.918 21.559 0.00 0.00 C ATOM 8312 C6 G A 391 128.804 66.815 22.094 0.00 0.00 C ATOM 8313 O6 G A 391 129.630 66.080 21.556 0.00 0.00 O ATOM 8314 N1 G A 391 128.576 66.607 23.445 0.00 0.00 N ATOM 8315 C2 G A 391 127.718 67.354 24.195 0.00 0.00 C ATOM 8316 N2 G A 391 127.592 67.098 25.473 0.00 0.00 N ATOM 8317 N3 G A 391 126.965 68.342 23.723 0.00 0.00 N ATOM 8318 C4 G A 391 127.183 68.584 22.406 0.00 0.00 C ATOM 8319 P C A 392 126.724 74.895 23.019 0.00 0.00 P ATOM 8320 O1P C A 392 126.044 76.158 23.408 0.00 0.00 O ATOM 8321 O2P C A 392 127.813 74.932 22.024 0.00 0.00 O ATOM 8322 O5* C A 392 127.234 74.092 24.335 0.00 0.00 O ATOM 8323 C5* C A 392 128.598 73.706 24.491 0.00 0.00 C ATOM 8324 C4* C A 392 128.793 72.577 25.521 0.00 0.00 C ATOM 8325 O4* C A 392 128.488 71.282 24.996 0.00 0.00 O ATOM 8326 C3* C A 392 130.246 72.484 25.990 0.00 0.00 C ATOM 8327 O3* C A 392 130.538 73.522 26.928 0.00 0.00 O ATOM 8328 C2* C A 392 130.263 71.028 26.510 0.00 0.00 C ATOM 8329 O2* C A 392 129.595 70.830 27.752 0.00 0.00 O ATOM 8330 C1* C A 392 129.438 70.306 25.434 0.00 0.00 C ATOM 8331 N1 C A 392 130.249 69.754 24.291 0.00 0.00 N ATOM 8332 C2 C A 392 131.099 68.641 24.486 0.00 0.00 C ATOM 8333 O2 C A 392 131.265 68.134 25.600 0.00 0.00 O ATOM 8334 N3 C A 392 131.762 68.089 23.428 0.00 0.00 N ATOM 8335 C4 C A 392 131.582 68.598 22.211 0.00 0.00 C ATOM 8336 N4 C A 392 132.218 68.048 21.202 0.00 0.00 N ATOM 8337 C5 C A 392 130.717 69.699 21.959 0.00 0.00 C ATOM 8338 C6 C A 392 130.072 70.243 23.016 0.00 0.00 C ATOM 8339 P A A 393 131.950 74.322 26.968 0.00 0.00 P ATOM 8340 O1P A A 393 131.814 75.467 27.904 0.00 0.00 O ATOM 8341 O2P A A 393 132.428 74.551 25.582 0.00 0.00 O ATOM 8342 O5* A A 393 132.889 73.215 27.649 0.00 0.00 O ATOM 8343 C5* A A 393 132.750 72.882 29.016 0.00 0.00 C ATOM 8344 C4* A A 393 133.433 71.548 29.337 0.00 0.00 C ATOM 8345 O4* A A 393 132.858 70.486 28.574 0.00 0.00 O ATOM 8346 C3* A A 393 134.937 71.533 29.070 0.00 0.00 C ATOM 8347 O3* A A 393 135.723 72.084 30.115 0.00 0.00 O ATOM 8348 C2* A A 393 135.143 70.026 28.902 0.00 0.00 C ATOM 8349 O2* A A 393 135.095 69.292 30.125 0.00 0.00 O ATOM 8350 C1* A A 393 133.909 69.657 28.085 0.00 0.00 C ATOM 8351 N9 A A 393 134.160 69.849 26.632 0.00 0.00 N ATOM 8352 C8 A A 393 133.619 70.752 25.747 0.00 0.00 C ATOM 8353 N7 A A 393 133.911 70.527 24.496 0.00 0.00 N ATOM 8354 C5 A A 393 134.788 69.442 24.568 0.00 0.00 C ATOM 8355 C6 A A 393 135.519 68.697 23.615 0.00 0.00 C ATOM 8356 N6 A A 393 135.408 68.860 22.306 0.00 0.00 N ATOM 8357 N1 A A 393 136.358 67.732 24.018 0.00 0.00 N ATOM 8358 C2 A A 393 136.468 67.494 25.321 0.00 0.00 C ATOM 8359 N3 A A 393 135.813 68.080 26.318 0.00 0.00 N ATOM 8360 C4 A A 393 134.982 69.058 25.868 0.00 0.00 C ATOM 8361 P G A 394 137.255 72.476 29.846 0.00 0.00 P ATOM 8362 O1P G A 394 137.951 72.754 31.118 0.00 0.00 O ATOM 8363 O2P G A 394 137.350 73.522 28.812 0.00 0.00 O ATOM 8364 O5* G A 394 137.972 71.202 29.207 0.00 0.00 O ATOM 8365 C5* G A 394 138.389 70.103 29.992 0.00 0.00 C ATOM 8366 C4* G A 394 139.347 69.227 29.189 0.00 0.00 C ATOM 8367 O4* G A 394 138.725 68.614 28.074 0.00 0.00 O ATOM 8368 C3* G A 394 140.529 70.027 28.660 0.00 0.00 C ATOM 8369 O3* G A 394 141.423 70.319 29.727 0.00 0.00 O ATOM 8370 C2* G A 394 141.028 69.052 27.592 0.00 0.00 C ATOM 8371 O2* G A 394 141.755 67.956 28.129 0.00 0.00 O ATOM 8372 C1* G A 394 139.693 68.531 27.040 0.00 0.00 C ATOM 8373 N9 G A 394 139.247 69.322 25.875 0.00 0.00 N ATOM 8374 C8 G A 394 138.270 70.279 25.763 0.00 0.00 C ATOM 8375 N7 G A 394 138.074 70.697 24.541 0.00 0.00 N ATOM 8376 C5 G A 394 138.989 69.955 23.783 0.00 0.00 C ATOM 8377 C6 G A 394 139.283 69.925 22.374 0.00 0.00 C ATOM 8378 O6 G A 394 138.739 70.542 21.464 0.00 0.00 O ATOM 8379 N1 G A 394 140.356 69.097 22.057 0.00 0.00 N ATOM 8380 C2 G A 394 141.029 68.346 22.980 0.00 0.00 C ATOM 8381 N2 G A 394 142.009 67.575 22.586 0.00 0.00 N ATOM 8382 N3 G A 394 140.762 68.328 24.278 0.00 0.00 N ATOM 8383 C4 G A 394 139.737 69.153 24.613 0.00 0.00 C ATOM 8384 P C A 395 142.332 71.631 29.728 0.00 0.00 P ATOM 8385 O1P C A 395 143.106 71.570 30.990 0.00 0.00 O ATOM 8386 O2P C A 395 141.468 72.800 29.441 0.00 0.00 O ATOM 8387 O5* C A 395 143.323 71.361 28.498 0.00 0.00 O ATOM 8388 C5* C A 395 144.270 70.306 28.546 0.00 0.00 C ATOM 8389 C4* C A 395 145.002 70.063 27.216 0.00 0.00 C ATOM 8390 O4* C A 395 144.177 69.568 26.166 0.00 0.00 O ATOM 8391 C3* C A 395 145.698 71.306 26.688 0.00 0.00 C ATOM 8392 O3* C A 395 146.894 71.529 27.421 0.00 0.00 O ATOM 8393 C2* C A 395 145.899 70.900 25.224 0.00 0.00 C ATOM 8394 O2* C A 395 147.001 70.006 25.094 0.00 0.00 O ATOM 8395 C1* C A 395 144.586 70.155 24.924 0.00 0.00 C ATOM 8396 N1 C A 395 143.493 71.036 24.392 0.00 0.00 N ATOM 8397 C2 C A 395 143.383 71.276 23.007 0.00 0.00 C ATOM 8398 O2 C A 395 144.286 70.987 22.218 0.00 0.00 O ATOM 8399 N3 C A 395 142.267 71.885 22.512 0.00 0.00 N ATOM 8400 C4 C A 395 141.308 72.270 23.350 0.00 0.00 C ATOM 8401 N4 C A 395 140.235 72.850 22.870 0.00 0.00 N ATOM 8402 C5 C A 395 141.419 72.141 24.760 0.00 0.00 C ATOM 8403 C6 C A 395 142.523 71.524 25.237 0.00 0.00 C ATOM 8404 P C A 396 147.456 73.000 27.588 0.00 0.00 P ATOM 8405 O1P C A 396 148.721 72.835 28.341 0.00 0.00 O ATOM 8406 O2P C A 396 146.403 73.852 28.172 0.00 0.00 O ATOM 8407 O5* C A 396 147.750 73.493 26.109 0.00 0.00 O ATOM 8408 C5* C A 396 148.850 73.015 25.371 0.00 0.00 C ATOM 8409 C4* C A 396 148.798 73.582 23.956 0.00 0.00 C ATOM 8410 O4* C A 396 147.712 73.057 23.191 0.00 0.00 O ATOM 8411 C3* C A 396 148.634 75.096 23.919 0.00 0.00 C ATOM 8412 O3* C A 396 149.804 75.772 24.381 0.00 0.00 O ATOM 8413 C2* C A 396 148.263 75.205 22.432 0.00 0.00 C ATOM 8414 O2* C A 396 149.322 74.885 21.554 0.00 0.00 O ATOM 8415 C1* C A 396 147.283 74.048 22.252 0.00 0.00 C ATOM 8416 N1 C A 396 145.853 74.441 22.463 0.00 0.00 N ATOM 8417 C2 C A 396 145.096 74.950 21.391 0.00 0.00 C ATOM 8418 O2 C A 396 145.593 75.165 20.289 0.00 0.00 O ATOM 8419 N3 C A 396 143.772 75.228 21.558 0.00 0.00 N ATOM 8420 C4 C A 396 143.218 75.043 22.750 0.00 0.00 C ATOM 8421 N4 C A 396 141.944 75.319 22.913 0.00 0.00 N ATOM 8422 C5 C A 396 143.941 74.534 23.866 0.00 0.00 C ATOM 8423 C6 C A 396 145.252 74.251 23.683 0.00 0.00 C ATOM 8424 P A A 397 149.758 76.838 25.590 0.00 0.00 P ATOM 8425 O1P A A 397 151.102 77.120 26.148 0.00 0.00 O ATOM 8426 O2P A A 397 148.670 76.518 26.538 0.00 0.00 O ATOM 8427 O5* A A 397 149.242 78.156 24.886 0.00 0.00 O ATOM 8428 C5* A A 397 150.044 78.812 23.924 0.00 0.00 C ATOM 8429 C4* A A 397 149.232 79.982 23.395 0.00 0.00 C ATOM 8430 O4* A A 397 149.111 80.928 24.455 0.00 0.00 O ATOM 8431 C3* A A 397 149.859 80.693 22.195 0.00 0.00 C ATOM 8432 O3* A A 397 149.602 80.058 20.937 0.00 0.00 O ATOM 8433 C2* A A 397 149.161 82.047 22.389 0.00 0.00 C ATOM 8434 O2* A A 397 147.817 82.016 21.955 0.00 0.00 O ATOM 8435 C1* A A 397 149.048 82.231 23.902 0.00 0.00 C ATOM 8436 N9 A A 397 150.083 83.104 24.515 0.00 0.00 N ATOM 8437 C8 A A 397 149.897 84.334 25.105 0.00 0.00 C ATOM 8438 N7 A A 397 150.947 84.792 25.725 0.00 0.00 N ATOM 8439 C5 A A 397 151.918 83.833 25.479 0.00 0.00 C ATOM 8440 C6 A A 397 153.272 83.709 25.850 0.00 0.00 C ATOM 8441 N6 A A 397 153.883 84.576 26.643 0.00 0.00 N ATOM 8442 N1 A A 397 154.017 82.692 25.392 0.00 0.00 N ATOM 8443 C2 A A 397 153.418 81.810 24.596 0.00 0.00 C ATOM 8444 N3 A A 397 152.136 81.759 24.242 0.00 0.00 N ATOM 8445 C4 A A 397 151.425 82.825 24.698 0.00 0.00 C ATOM 8446 P U A 398 150.456 78.771 20.437 0.00 0.00 P ATOM 8447 O1P U A 398 149.782 77.530 20.898 0.00 0.00 O ATOM 8448 O2P U A 398 151.871 78.992 20.772 0.00 0.00 O ATOM 8449 O5* U A 398 150.345 78.771 18.830 0.00 0.00 O ATOM 8450 C5* U A 398 150.565 79.934 18.039 0.00 0.00 C ATOM 8451 C4* U A 398 149.287 80.363 17.300 0.00 0.00 C ATOM 8452 O4* U A 398 148.294 79.338 17.252 0.00 0.00 O ATOM 8453 C3* U A 398 148.577 81.574 17.902 0.00 0.00 C ATOM 8454 O3* U A 398 149.254 82.812 17.703 0.00 0.00 O ATOM 8455 C2* U A 398 147.247 81.450 17.148 0.00 0.00 C ATOM 8456 O2* U A 398 147.416 81.827 15.784 0.00 0.00 O ATOM 8457 C1* U A 398 146.996 79.936 17.240 0.00 0.00 C ATOM 8458 N1 U A 398 146.186 79.562 18.449 0.00 0.00 N ATOM 8459 C2 U A 398 144.791 79.671 18.378 0.00 0.00 C ATOM 8460 O2 U A 398 144.191 80.038 17.373 0.00 0.00 O ATOM 8461 N3 U A 398 144.070 79.330 19.507 0.00 0.00 N ATOM 8462 C4 U A 398 144.582 78.853 20.690 0.00 0.00 C ATOM 8463 O4 U A 398 143.823 78.551 21.609 0.00 0.00 O ATOM 8464 C5 U A 398 146.028 78.745 20.693 0.00 0.00 C ATOM 8465 C6 U A 398 146.773 79.089 19.605 0.00 0.00 C ATOM 8466 P G A 399 148.766 84.131 18.474 0.00 0.00 P ATOM 8467 O1P G A 399 149.696 85.264 18.247 0.00 0.00 O ATOM 8468 O2P G A 399 148.438 83.771 19.872 0.00 0.00 O ATOM 8469 O5* G A 399 147.389 84.564 17.799 0.00 0.00 O ATOM 8470 C5* G A 399 147.295 85.067 16.473 0.00 0.00 C ATOM 8471 C4* G A 399 145.829 85.405 16.189 0.00 0.00 C ATOM 8472 O4* G A 399 145.028 84.245 16.385 0.00 0.00 O ATOM 8473 C3* G A 399 145.289 86.490 17.122 0.00 0.00 C ATOM 8474 O3* G A 399 145.676 87.812 16.726 0.00 0.00 O ATOM 8475 C2* G A 399 143.790 86.159 17.070 0.00 0.00 C ATOM 8476 O2* G A 399 143.139 86.626 15.899 0.00 0.00 O ATOM 8477 C1* G A 399 143.807 84.627 16.997 0.00 0.00 C ATOM 8478 N9 G A 399 143.648 83.988 18.329 0.00 0.00 N ATOM 8479 C8 G A 399 144.582 83.465 19.190 0.00 0.00 C ATOM 8480 N7 G A 399 144.073 82.915 20.262 0.00 0.00 N ATOM 8481 C5 G A 399 142.693 83.095 20.120 0.00 0.00 C ATOM 8482 C6 G A 399 141.573 82.740 20.962 0.00 0.00 C ATOM 8483 O6 G A 399 141.538 82.137 22.036 0.00 0.00 O ATOM 8484 N1 G A 399 140.360 83.175 20.452 0.00 0.00 N ATOM 8485 C2 G A 399 140.224 83.836 19.263 0.00 0.00 C ATOM 8486 N2 G A 399 139.033 84.237 18.894 0.00 0.00 N ATOM 8487 N3 G A 399 141.229 84.160 18.456 0.00 0.00 N ATOM 8488 C4 G A 399 142.440 83.767 18.941 0.00 0.00 C ATOM 8489 P C A 400 145.745 89.018 17.800 0.00 0.00 P ATOM 8490 O1P C A 400 146.246 90.273 17.184 0.00 0.00 O ATOM 8491 O2P C A 400 146.417 88.472 19.006 0.00 0.00 O ATOM 8492 O5* C A 400 144.194 89.264 18.121 0.00 0.00 O ATOM 8493 C5* C A 400 143.297 89.769 17.142 0.00 0.00 C ATOM 8494 C4* C A 400 141.855 89.770 17.665 0.00 0.00 C ATOM 8495 O4* C A 400 141.369 88.449 17.919 0.00 0.00 O ATOM 8496 C3* C A 400 141.687 90.563 18.960 0.00 0.00 C ATOM 8497 O3* C A 400 141.651 91.976 18.754 0.00 0.00 O ATOM 8498 C2* C A 400 140.366 89.951 19.439 0.00 0.00 C ATOM 8499 O2* C A 400 139.265 90.445 18.685 0.00 0.00 O ATOM 8500 C1* C A 400 140.538 88.470 19.081 0.00 0.00 C ATOM 8501 N1 C A 400 141.138 87.658 20.186 0.00 0.00 N ATOM 8502 C2 C A 400 140.296 87.024 21.117 0.00 0.00 C ATOM 8503 O2 C A 400 139.077 87.234 21.135 0.00 0.00 O ATOM 8504 N3 C A 400 140.826 86.162 22.033 0.00 0.00 N ATOM 8505 C4 C A 400 142.142 85.940 22.038 0.00 0.00 C ATOM 8506 N4 C A 400 142.652 85.093 22.900 0.00 0.00 N ATOM 8507 C5 C A 400 143.032 86.593 21.146 0.00 0.00 C ATOM 8508 C6 C A 400 142.497 87.453 20.253 0.00 0.00 C ATOM 8509 P C A 401 142.111 92.994 19.912 0.00 0.00 P ATOM 8510 O1P C A 401 141.812 94.389 19.524 0.00 0.00 O ATOM 8511 O2P C A 401 143.511 92.642 20.256 0.00 0.00 O ATOM 8512 O5* C A 401 141.100 92.591 21.093 0.00 0.00 O ATOM 8513 C5* C A 401 139.730 92.953 20.984 0.00 0.00 C ATOM 8514 C4* C A 401 138.871 92.459 22.146 0.00 0.00 C ATOM 8515 O4* C A 401 138.715 91.034 22.208 0.00 0.00 O ATOM 8516 C3* C A 401 139.390 92.896 23.518 0.00 0.00 C ATOM 8517 O3* C A 401 139.190 94.268 23.842 0.00 0.00 O ATOM 8518 C2* C A 401 138.519 91.956 24.347 0.00 0.00 C ATOM 8519 O2* C A 401 137.183 92.446 24.288 0.00 0.00 O ATOM 8520 C1* C A 401 138.631 90.632 23.578 0.00 0.00 C ATOM 8521 N1 C A 401 139.829 89.807 23.957 0.00 0.00 N ATOM 8522 C2 C A 401 139.718 88.811 24.948 0.00 0.00 C ATOM 8523 O2 C A 401 138.670 88.630 25.570 0.00 0.00 O ATOM 8524 N3 C A 401 140.786 88.025 25.258 0.00 0.00 N ATOM 8525 C4 C A 401 141.950 88.245 24.651 0.00 0.00 C ATOM 8526 N4 C A 401 142.990 87.527 25.012 0.00 0.00 N ATOM 8527 C5 C A 401 142.111 89.233 23.638 0.00 0.00 C ATOM 8528 C6 C A 401 141.034 89.985 23.318 0.00 0.00 C ATOM 8529 P G A 402 139.957 94.917 25.105 0.00 0.00 P ATOM 8530 O1P G A 402 139.499 96.310 25.311 0.00 0.00 O ATOM 8531 O2P G A 402 141.399 94.637 24.958 0.00 0.00 O ATOM 8532 O5* G A 402 139.414 94.079 26.355 0.00 0.00 O ATOM 8533 C5* G A 402 138.117 94.315 26.882 0.00 0.00 C ATOM 8534 C4* G A 402 137.864 93.374 28.056 0.00 0.00 C ATOM 8535 O4* G A 402 137.985 92.016 27.653 0.00 0.00 O ATOM 8536 C3* G A 402 138.863 93.596 29.187 0.00 0.00 C ATOM 8537 O3* G A 402 138.541 94.760 29.938 0.00 0.00 O ATOM 8538 C2* G A 402 138.734 92.243 29.906 0.00 0.00 C ATOM 8539 O2* G A 402 137.580 92.055 30.716 0.00 0.00 O ATOM 8540 C1* G A 402 138.559 91.289 28.723 0.00 0.00 C ATOM 8541 N9 G A 402 139.855 90.681 28.357 0.00 0.00 N ATOM 8542 C8 G A 402 140.752 90.982 27.363 0.00 0.00 C ATOM 8543 N7 G A 402 141.815 90.220 27.363 0.00 0.00 N ATOM 8544 C5 G A 402 141.618 89.357 28.447 0.00 0.00 C ATOM 8545 C6 G A 402 142.424 88.306 29.020 0.00 0.00 C ATOM 8546 O6 G A 402 143.501 87.839 28.652 0.00 0.00 O ATOM 8547 N1 G A 402 141.888 87.785 30.188 0.00 0.00 N ATOM 8548 C2 G A 402 140.704 88.198 30.734 0.00 0.00 C ATOM 8549 N2 G A 402 140.323 87.694 31.882 0.00 0.00 N ATOM 8550 N3 G A 402 139.922 89.134 30.214 0.00 0.00 N ATOM 8551 C4 G A 402 140.434 89.673 29.074 0.00 0.00 C ATOM 8552 P C A 403 139.636 95.666 30.686 0.00 0.00 P ATOM 8553 O1P C A 403 138.881 96.762 31.349 0.00 0.00 O ATOM 8554 O2P C A 403 140.731 96.029 29.746 0.00 0.00 O ATOM 8555 O5* C A 403 140.255 94.633 31.762 0.00 0.00 O ATOM 8556 C5* C A 403 139.502 94.097 32.838 0.00 0.00 C ATOM 8557 C4* C A 403 140.281 92.984 33.565 0.00 0.00 C ATOM 8558 O4* C A 403 140.501 91.807 32.783 0.00 0.00 O ATOM 8559 C3* C A 403 141.671 93.420 34.014 0.00 0.00 C ATOM 8560 O3* C A 403 141.595 94.364 35.077 0.00 0.00 O ATOM 8561 C2* C A 403 142.250 92.035 34.349 0.00 0.00 C ATOM 8562 O2* C A 403 141.838 91.521 35.603 0.00 0.00 O ATOM 8563 C1* C A 403 141.600 91.085 33.350 0.00 0.00 C ATOM 8564 N1 C A 403 142.627 90.631 32.367 0.00 0.00 N ATOM 8565 C2 C A 403 143.577 89.649 32.731 0.00 0.00 C ATOM 8566 O2 C A 403 143.541 89.059 33.815 0.00 0.00 O ATOM 8567 N3 C A 403 144.589 89.340 31.876 0.00 0.00 N ATOM 8568 C4 C A 403 144.661 89.963 30.703 0.00 0.00 C ATOM 8569 N4 C A 403 145.618 89.609 29.882 0.00 0.00 N ATOM 8570 C5 C A 403 143.734 90.970 30.302 0.00 0.00 C ATOM 8571 C6 C A 403 142.736 91.275 31.162 0.00 0.00 C ATOM 8572 P G A 404 142.853 95.216 35.608 0.00 0.00 P ATOM 8573 O1P G A 404 142.336 96.200 36.592 0.00 0.00 O ATOM 8574 O2P G A 404 143.619 95.713 34.435 0.00 0.00 O ATOM 8575 O5* G A 404 143.691 94.083 36.400 0.00 0.00 O ATOM 8576 C5* G A 404 143.242 93.636 37.675 0.00 0.00 C ATOM 8577 C4* G A 404 144.083 92.496 38.248 0.00 0.00 C ATOM 8578 O4* G A 404 144.047 91.354 37.398 0.00 0.00 O ATOM 8579 C3* G A 404 145.541 92.893 38.452 0.00 0.00 C ATOM 8580 O3* G A 404 145.763 93.621 39.654 0.00 0.00 O ATOM 8581 C2* G A 404 146.175 91.509 38.447 0.00 0.00 C ATOM 8582 O2* G A 404 146.025 90.801 39.651 0.00 0.00 O ATOM 8583 C1* G A 404 145.334 90.754 37.423 0.00 0.00 C ATOM 8584 N9 G A 404 145.990 90.863 36.112 0.00 0.00 N ATOM 8585 C8 G A 404 145.710 91.701 35.070 0.00 0.00 C ATOM 8586 N7 G A 404 146.527 91.600 34.056 0.00 0.00 N ATOM 8587 C5 G A 404 147.499 90.709 34.524 0.00 0.00 C ATOM 8588 C6 G A 404 148.767 90.320 33.977 0.00 0.00 C ATOM 8589 O6 G A 404 149.237 90.557 32.865 0.00 0.00 O ATOM 8590 N1 G A 404 149.565 89.644 34.894 0.00 0.00 N ATOM 8591 C2 G A 404 149.169 89.328 36.165 0.00 0.00 C ATOM 8592 N2 G A 404 150.034 88.835 37.014 0.00 0.00 N ATOM 8593 N3 G A 404 147.977 89.600 36.667 0.00 0.00 N ATOM 8594 C4 G A 404 147.195 90.303 35.803 0.00 0.00 C ATOM 8595 P U A 405 146.996 94.649 39.786 0.00 0.00 P ATOM 8596 O1P U A 405 146.829 95.433 41.037 0.00 0.00 O ATOM 8597 O2P U A 405 147.125 95.357 38.499 0.00 0.00 O ATOM 8598 O5* U A 405 148.276 93.661 39.915 0.00 0.00 O ATOM 8599 C5* U A 405 148.531 92.905 41.083 0.00 0.00 C ATOM 8600 C4* U A 405 149.790 92.003 41.023 0.00 0.00 C ATOM 8601 O4* U A 405 149.758 91.015 39.990 0.00 0.00 O ATOM 8602 C3* U A 405 151.101 92.762 40.843 0.00 0.00 C ATOM 8603 O3* U A 405 151.578 93.359 42.034 0.00 0.00 O ATOM 8604 C2* U A 405 152.023 91.648 40.349 0.00 0.00 C ATOM 8605 O2* U A 405 152.437 90.742 41.359 0.00 0.00 O ATOM 8606 C1* U A 405 151.073 90.899 39.428 0.00 0.00 C ATOM 8607 N1 U A 405 151.142 91.483 38.066 0.00 0.00 N ATOM 8608 C2 U A 405 152.197 91.102 37.231 0.00 0.00 C ATOM 8609 O2 U A 405 153.147 90.414 37.593 0.00 0.00 O ATOM 8610 N3 U A 405 152.123 91.512 35.921 0.00 0.00 N ATOM 8611 C4 U A 405 151.108 92.233 35.353 0.00 0.00 C ATOM 8612 O4 U A 405 151.137 92.406 34.141 0.00 0.00 O ATOM 8613 C5 U A 405 150.076 92.642 36.298 0.00 0.00 C ATOM 8614 C6 U A 405 150.125 92.273 37.592 0.00 0.00 C ATOM 8615 P G A 406 152.808 94.396 42.024 0.00 0.00 P ATOM 8616 O1P G A 406 153.499 94.314 40.711 0.00 0.00 O ATOM 8617 O2P G A 406 153.582 94.188 43.263 0.00 0.00 O ATOM 8618 O5* G A 406 152.032 95.806 42.135 0.00 0.00 O ATOM 8619 C5* G A 406 151.127 96.232 41.129 0.00 0.00 C ATOM 8620 C4* G A 406 149.752 96.614 41.693 0.00 0.00 C ATOM 8621 O4* G A 406 149.349 95.724 42.719 0.00 0.00 O ATOM 8622 C3* G A 406 149.660 98.008 42.295 0.00 0.00 C ATOM 8623 O3* G A 406 149.503 98.967 41.268 0.00 0.00 O ATOM 8624 C2* G A 406 148.425 97.874 43.199 0.00 0.00 C ATOM 8625 O2* G A 406 147.184 98.046 42.531 0.00 0.00 O ATOM 8626 C1* G A 406 148.536 96.416 43.650 0.00 0.00 C ATOM 8627 N9 G A 406 149.135 96.328 45.001 0.00 0.00 N ATOM 8628 C8 G A 406 150.342 95.797 45.386 0.00 0.00 C ATOM 8629 N7 G A 406 150.562 95.838 46.676 0.00 0.00 N ATOM 8630 C5 G A 406 149.416 96.461 47.184 0.00 0.00 C ATOM 8631 C6 G A 406 149.030 96.795 48.529 0.00 0.00 C ATOM 8632 O6 G A 406 149.611 96.592 49.594 0.00 0.00 O ATOM 8633 N1 G A 406 147.809 97.440 48.596 0.00 0.00 N ATOM 8634 C2 G A 406 146.997 97.654 47.524 0.00 0.00 C ATOM 8635 N2 G A 406 145.864 98.271 47.755 0.00 0.00 N ATOM 8636 N3 G A 406 147.298 97.330 46.266 0.00 0.00 N ATOM 8637 C4 G A 406 148.534 96.749 46.161 0.00 0.00 C ATOM 8638 P U A 407 149.994 100.479 41.447 0.00 0.00 P ATOM 8639 O1P U A 407 149.807 101.195 40.166 0.00 0.00 O ATOM 8640 O2P U A 407 151.316 100.451 42.104 0.00 0.00 O ATOM 8641 O5* U A 407 148.930 101.032 42.491 0.00 0.00 O ATOM 8642 C5* U A 407 147.607 101.345 42.109 0.00 0.00 C ATOM 8643 C4* U A 407 146.841 101.866 43.323 0.00 0.00 C ATOM 8644 O4* U A 407 146.642 100.866 44.319 0.00 0.00 O ATOM 8645 C3* U A 407 147.576 102.984 44.052 0.00 0.00 C ATOM 8646 O3* U A 407 147.587 104.203 43.342 0.00 0.00 O ATOM 8647 C2* U A 407 146.782 102.976 45.359 0.00 0.00 C ATOM 8648 O2* U A 407 145.432 103.378 45.209 0.00 0.00 O ATOM 8649 C1* U A 407 146.728 101.472 45.612 0.00 0.00 C ATOM 8650 N1 U A 407 147.915 100.993 46.382 0.00 0.00 N ATOM 8651 C2 U A 407 147.903 101.142 47.773 0.00 0.00 C ATOM 8652 O2 U A 407 147.027 101.751 48.383 0.00 0.00 O ATOM 8653 N3 U A 407 148.952 100.570 48.465 0.00 0.00 N ATOM 8654 C4 U A 407 150.038 99.931 47.917 0.00 0.00 C ATOM 8655 O4 U A 407 150.924 99.509 48.652 0.00 0.00 O ATOM 8656 C5 U A 407 150.010 99.850 46.474 0.00 0.00 C ATOM 8657 C6 U A 407 148.989 100.391 45.760 0.00 0.00 C ATOM 8658 P A A 408 148.810 105.227 43.495 0.00 0.00 P ATOM 8659 O1P A A 408 148.717 106.203 42.397 0.00 0.00 O ATOM 8660 O2P A A 408 150.070 104.482 43.694 0.00 0.00 O ATOM 8661 O5* A A 408 148.508 105.945 44.896 0.00 0.00 O ATOM 8662 C5* A A 408 147.349 106.704 45.182 0.00 0.00 C ATOM 8663 C4* A A 408 147.343 107.009 46.689 0.00 0.00 C ATOM 8664 O4* A A 408 147.184 105.806 47.438 0.00 0.00 O ATOM 8665 C3* A A 408 148.646 107.638 47.194 0.00 0.00 C ATOM 8666 O3* A A 408 148.757 109.029 46.972 0.00 0.00 O ATOM 8667 C2* A A 408 148.607 107.261 48.674 0.00 0.00 C ATOM 8668 O2* A A 408 147.731 108.053 49.464 0.00 0.00 O ATOM 8669 C1* A A 408 148.025 105.854 48.584 0.00 0.00 C ATOM 8670 N9 A A 408 149.111 104.856 48.462 0.00 0.00 N ATOM 8671 C8 A A 408 149.563 104.179 47.352 0.00 0.00 C ATOM 8672 N7 A A 408 150.501 103.310 47.602 0.00 0.00 N ATOM 8673 C5 A A 408 150.730 103.471 48.968 0.00 0.00 C ATOM 8674 C6 A A 408 151.637 102.901 49.884 0.00 0.00 C ATOM 8675 N6 A A 408 152.489 101.944 49.571 0.00 0.00 N ATOM 8676 N1 A A 408 151.694 103.351 51.148 0.00 0.00 N ATOM 8677 C2 A A 408 150.829 104.289 51.517 0.00 0.00 C ATOM 8678 N3 A A 408 149.898 104.882 50.779 0.00 0.00 N ATOM 8679 C4 A A 408 149.909 104.430 49.494 0.00 0.00 C ATOM 8680 P U A 409 150.194 109.738 46.932 0.00 0.00 P ATOM 8681 O1P U A 409 149.969 111.155 46.618 0.00 0.00 O ATOM 8682 O2P U A 409 151.089 108.924 46.088 0.00 0.00 O ATOM 8683 O5* U A 409 150.765 109.637 48.422 0.00 0.00 O ATOM 8684 C5* U A 409 150.288 110.437 49.481 0.00 0.00 C ATOM 8685 C4* U A 409 150.978 109.978 50.774 0.00 0.00 C ATOM 8686 O4* U A 409 150.858 108.561 50.940 0.00 0.00 O ATOM 8687 C3* U A 409 152.473 110.291 50.792 0.00 0.00 C ATOM 8688 O3* U A 409 152.781 111.612 51.216 0.00 0.00 O ATOM 8689 C2* U A 409 152.957 109.234 51.790 0.00 0.00 C ATOM 8690 O2* U A 409 152.714 109.595 53.145 0.00 0.00 O ATOM 8691 C1* U A 409 152.064 108.032 51.498 0.00 0.00 C ATOM 8692 N1 U A 409 152.758 107.027 50.634 0.00 0.00 N ATOM 8693 C2 U A 409 153.698 106.161 51.228 0.00 0.00 C ATOM 8694 O2 U A 409 154.108 106.280 52.383 0.00 0.00 O ATOM 8695 N3 U A 409 154.196 105.135 50.440 0.00 0.00 N ATOM 8696 C4 U A 409 153.920 104.957 49.104 0.00 0.00 C ATOM 8697 O4 U A 409 154.465 104.062 48.485 0.00 0.00 O ATOM 8698 C5 U A 409 152.983 105.903 48.548 0.00 0.00 C ATOM 8699 C6 U A 409 152.443 106.894 49.299 0.00 0.00 C ATOM 8700 P G A 410 154.218 112.265 50.918 0.00 0.00 P ATOM 8701 O1P G A 410 154.432 113.443 51.781 0.00 0.00 O ATOM 8702 O2P G A 410 154.369 112.386 49.454 0.00 0.00 O ATOM 8703 O5* G A 410 155.292 111.149 51.321 0.00 0.00 O ATOM 8704 C5* G A 410 155.775 110.986 52.638 0.00 0.00 C ATOM 8705 C4* G A 410 156.771 109.817 52.670 0.00 0.00 C ATOM 8706 O4* G A 410 156.177 108.571 52.314 0.00 0.00 O ATOM 8707 C3* G A 410 157.918 110.009 51.685 0.00 0.00 C ATOM 8708 O3* G A 410 158.932 110.852 52.175 0.00 0.00 O ATOM 8709 C2* G A 410 158.401 108.578 51.467 0.00 0.00 C ATOM 8710 O2* G A 410 159.175 108.025 52.516 0.00 0.00 O ATOM 8711 C1* G A 410 157.072 107.847 51.477 0.00 0.00 C ATOM 8712 N9 G A 410 156.577 107.712 50.094 0.00 0.00 N ATOM 8713 C8 G A 410 155.805 108.552 49.327 0.00 0.00 C ATOM 8714 N7 G A 410 155.602 108.123 48.113 0.00 0.00 N ATOM 8715 C5 G A 410 156.290 106.913 48.068 0.00 0.00 C ATOM 8716 C6 G A 410 156.434 105.965 47.007 0.00 0.00 C ATOM 8717 O6 G A 410 155.960 106.008 45.868 0.00 0.00 O ATOM 8718 N1 G A 410 157.252 104.913 47.373 0.00 0.00 N ATOM 8719 C2 G A 410 157.859 104.760 48.588 0.00 0.00 C ATOM 8720 N2 G A 410 158.696 103.751 48.679 0.00 0.00 N ATOM 8721 N3 G A 410 157.718 105.615 49.607 0.00 0.00 N ATOM 8722 C4 G A 410 156.915 106.671 49.273 0.00 0.00 C ATOM 8723 P A A 411 159.286 112.221 51.418 0.00 0.00 P ATOM 8724 O1P A A 411 158.608 113.353 52.101 0.00 0.00 O ATOM 8725 O2P A A 411 159.080 112.014 49.962 0.00 0.00 O ATOM 8726 O5* A A 411 160.865 112.242 51.664 0.00 0.00 O ATOM 8727 C5* A A 411 161.454 112.324 52.953 0.00 0.00 C ATOM 8728 C4* A A 411 162.965 112.492 52.787 0.00 0.00 C ATOM 8729 O4* A A 411 163.555 111.318 52.243 0.00 0.00 O ATOM 8730 C3* A A 411 163.287 113.660 51.860 0.00 0.00 C ATOM 8731 O3* A A 411 163.275 114.883 52.577 0.00 0.00 O ATOM 8732 C2* A A 411 164.633 113.209 51.281 0.00 0.00 C ATOM 8733 O2* A A 411 165.726 113.385 52.170 0.00 0.00 O ATOM 8734 C1* A A 411 164.426 111.691 51.191 0.00 0.00 C ATOM 8735 N9 A A 411 163.863 111.166 49.917 0.00 0.00 N ATOM 8736 C8 A A 411 163.142 111.799 48.931 0.00 0.00 C ATOM 8737 N7 A A 411 162.882 111.051 47.891 0.00 0.00 N ATOM 8738 C5 A A 411 163.493 109.833 48.206 0.00 0.00 C ATOM 8739 C6 A A 411 163.627 108.585 47.548 0.00 0.00 C ATOM 8740 N6 A A 411 163.084 108.310 46.379 0.00 0.00 N ATOM 8741 N1 A A 411 164.315 107.577 48.101 0.00 0.00 N ATOM 8742 C2 A A 411 164.833 107.783 49.305 0.00 0.00 C ATOM 8743 N3 A A 411 164.793 108.895 50.034 0.00 0.00 N ATOM 8744 C4 A A 411 164.081 109.891 49.437 0.00 0.00 C ATOM 8745 P A A 412 162.732 116.234 51.900 0.00 0.00 P ATOM 8746 O1P A A 412 162.854 117.339 52.873 0.00 0.00 O ATOM 8747 O2P A A 412 161.437 115.959 51.241 0.00 0.00 O ATOM 8748 O5* A A 412 163.847 116.428 50.777 0.00 0.00 O ATOM 8749 C5* A A 412 165.172 116.770 51.125 0.00 0.00 C ATOM 8750 C4* A A 412 165.995 116.629 49.854 0.00 0.00 C ATOM 8751 O4* A A 412 165.790 117.757 49.030 0.00 0.00 O ATOM 8752 C3* A A 412 167.503 116.620 50.088 0.00 0.00 C ATOM 8753 O3* A A 412 168.004 115.367 50.523 0.00 0.00 O ATOM 8754 C2* A A 412 168.053 117.123 48.737 0.00 0.00 C ATOM 8755 O2* A A 412 168.485 116.125 47.837 0.00 0.00 O ATOM 8756 C1* A A 412 166.842 117.790 48.094 0.00 0.00 C ATOM 8757 N9 A A 412 167.081 119.182 47.674 0.00 0.00 N ATOM 8758 C8 A A 412 167.776 120.181 48.309 0.00 0.00 C ATOM 8759 N7 A A 412 167.769 121.325 47.678 0.00 0.00 N ATOM 8760 C5 A A 412 167.011 121.053 46.533 0.00 0.00 C ATOM 8761 C6 A A 412 166.580 121.810 45.418 0.00 0.00 C ATOM 8762 N6 A A 412 166.833 123.095 45.226 0.00 0.00 N ATOM 8763 N1 A A 412 165.848 121.248 44.454 0.00 0.00 N ATOM 8764 C2 A A 412 165.531 119.963 44.577 0.00 0.00 C ATOM 8765 N3 A A 412 165.854 119.134 45.564 0.00 0.00 N ATOM 8766 C4 A A 412 166.600 119.747 46.521 0.00 0.00 C ATOM 8767 P G A 413 169.503 115.289 51.096 0.00 0.00 P ATOM 8768 O1P G A 413 169.472 115.853 52.459 0.00 0.00 O ATOM 8769 O2P G A 413 170.379 115.886 50.064 0.00 0.00 O ATOM 8770 O5* G A 413 169.847 113.724 51.199 0.00 0.00 O ATOM 8771 C5* G A 413 170.112 112.958 50.041 0.00 0.00 C ATOM 8772 C4* G A 413 168.970 111.976 49.814 0.00 0.00 C ATOM 8773 O4* G A 413 167.774 112.639 49.472 0.00 0.00 O ATOM 8774 C3* G A 413 169.285 111.040 48.659 0.00 0.00 C ATOM 8775 O3* G A 413 170.108 110.019 49.175 0.00 0.00 O ATOM 8776 C2* G A 413 167.882 110.620 48.236 0.00 0.00 C ATOM 8777 O2* G A 413 167.447 109.493 48.971 0.00 0.00 O ATOM 8778 C1* G A 413 166.992 111.784 48.670 0.00 0.00 C ATOM 8779 N9 G A 413 166.427 112.602 47.578 0.00 0.00 N ATOM 8780 C8 G A 413 166.343 113.964 47.526 0.00 0.00 C ATOM 8781 N7 G A 413 165.622 114.436 46.548 0.00 0.00 N ATOM 8782 C5 G A 413 165.228 113.289 45.860 0.00 0.00 C ATOM 8783 C6 G A 413 164.439 113.126 44.669 0.00 0.00 C ATOM 8784 O6 G A 413 163.897 113.958 43.940 0.00 0.00 O ATOM 8785 N1 G A 413 164.310 111.803 44.324 0.00 0.00 N ATOM 8786 C2 G A 413 164.889 110.765 44.973 0.00 0.00 C ATOM 8787 N2 G A 413 164.750 109.613 44.379 0.00 0.00 N ATOM 8788 N3 G A 413 165.624 110.858 46.074 0.00 0.00 N ATOM 8789 C4 G A 413 165.748 112.160 46.473 0.00 0.00 C ATOM 8790 P A A 414 170.540 108.711 48.363 0.00 0.00 P ATOM 8791 O1P A A 414 171.995 108.844 48.148 0.00 0.00 O ATOM 8792 O2P A A 414 169.622 108.444 47.229 0.00 0.00 O ATOM 8793 O5* A A 414 170.293 107.587 49.484 0.00 0.00 O ATOM 8794 C5* A A 414 170.527 107.850 50.860 0.00 0.00 C ATOM 8795 C4* A A 414 170.586 106.558 51.674 0.00 0.00 C ATOM 8796 O4* A A 414 169.334 105.893 51.718 0.00 0.00 O ATOM 8797 C3* A A 414 171.599 105.579 51.094 0.00 0.00 C ATOM 8798 O3* A A 414 172.918 105.971 51.451 0.00 0.00 O ATOM 8799 C2* A A 414 171.086 104.276 51.718 0.00 0.00 C ATOM 8800 O2* A A 414 171.523 104.094 53.058 0.00 0.00 O ATOM 8801 C1* A A 414 169.565 104.492 51.757 0.00 0.00 C ATOM 8802 N9 A A 414 168.854 103.857 50.622 0.00 0.00 N ATOM 8803 C8 A A 414 168.072 104.456 49.668 0.00 0.00 C ATOM 8804 N7 A A 414 167.506 103.626 48.835 0.00 0.00 N ATOM 8805 C5 A A 414 167.956 102.373 49.265 0.00 0.00 C ATOM 8806 C6 A A 414 167.765 101.033 48.835 0.00 0.00 C ATOM 8807 N6 A A 414 167.070 100.645 47.779 0.00 0.00 N ATOM 8808 N1 A A 414 168.340 100.019 49.486 0.00 0.00 N ATOM 8809 C2 A A 414 169.093 100.308 50.540 0.00 0.00 C ATOM 8810 N3 A A 414 169.369 101.503 51.055 0.00 0.00 N ATOM 8811 C4 A A 414 168.768 102.508 50.361 0.00 0.00 C ATOM 8812 P A A 415 174.189 105.648 50.532 0.00 0.00 P ATOM 8813 O1P A A 415 175.391 106.114 51.242 0.00 0.00 O ATOM 8814 O2P A A 415 173.941 106.194 49.184 0.00 0.00 O ATOM 8815 O5* A A 415 174.230 104.070 50.382 0.00 0.00 O ATOM 8816 C5* A A 415 174.563 103.242 51.474 0.00 0.00 C ATOM 8817 C4* A A 415 174.223 101.796 51.116 0.00 0.00 C ATOM 8818 O4* A A 415 172.830 101.637 50.875 0.00 0.00 O ATOM 8819 C3* A A 415 174.908 101.319 49.844 0.00 0.00 C ATOM 8820 O3* A A 415 176.271 101.013 50.066 0.00 0.00 O ATOM 8821 C2* A A 415 174.025 100.117 49.504 0.00 0.00 C ATOM 8822 O2* A A 415 174.284 98.989 50.330 0.00 0.00 O ATOM 8823 C1* A A 415 172.639 100.646 49.873 0.00 0.00 C ATOM 8824 N9 A A 415 171.909 101.184 48.695 0.00 0.00 N ATOM 8825 C8 A A 415 171.655 102.484 48.330 0.00 0.00 C ATOM 8826 N7 A A 415 170.854 102.601 47.305 0.00 0.00 N ATOM 8827 C5 A A 415 170.585 101.281 46.928 0.00 0.00 C ATOM 8828 C6 A A 415 169.828 100.641 45.905 0.00 0.00 C ATOM 8829 N6 A A 415 169.128 101.218 44.943 0.00 0.00 N ATOM 8830 N1 A A 415 169.772 99.309 45.828 0.00 0.00 N ATOM 8831 C2 A A 415 170.459 98.613 46.722 0.00 0.00 C ATOM 8832 N3 A A 415 171.217 99.059 47.717 0.00 0.00 N ATOM 8833 C4 A A 415 171.239 100.419 47.768 0.00 0.00 C ATOM 8834 P G A 416 177.350 101.134 48.893 0.00 0.00 P ATOM 8835 O1P G A 416 178.667 100.745 49.431 0.00 0.00 O ATOM 8836 O2P G A 416 177.155 102.469 48.271 0.00 0.00 O ATOM 8837 O5* G A 416 176.857 100.031 47.834 0.00 0.00 O ATOM 8838 C5* G A 416 176.942 98.639 48.082 0.00 0.00 C ATOM 8839 C4* G A 416 176.197 97.853 46.990 0.00 0.00 C ATOM 8840 O4* G A 416 174.799 98.140 46.982 0.00 0.00 O ATOM 8841 C3* G A 416 176.713 98.132 45.579 0.00 0.00 C ATOM 8842 O3* G A 416 177.868 97.366 45.273 0.00 0.00 O ATOM 8843 C2* G A 416 175.476 97.759 44.748 0.00 0.00 C ATOM 8844 O2* G A 416 175.284 96.355 44.607 0.00 0.00 O ATOM 8845 C1* G A 416 174.346 98.280 45.637 0.00 0.00 C ATOM 8846 N9 G A 416 173.993 99.691 45.334 0.00 0.00 N ATOM 8847 C8 G A 416 174.353 100.835 46.004 0.00 0.00 C ATOM 8848 N7 G A 416 173.768 101.916 45.578 0.00 0.00 N ATOM 8849 C5 G A 416 172.986 101.473 44.507 0.00 0.00 C ATOM 8850 C6 G A 416 172.123 102.184 43.602 0.00 0.00 C ATOM 8851 O6 G A 416 171.836 103.374 43.562 0.00 0.00 O ATOM 8852 N1 G A 416 171.583 101.389 42.607 0.00 0.00 N ATOM 8853 C2 G A 416 171.797 100.046 42.520 0.00 0.00 C ATOM 8854 N2 G A 416 171.228 99.402 41.521 0.00 0.00 N ATOM 8855 N3 G A 416 172.568 99.344 43.356 0.00 0.00 N ATOM 8856 C4 G A 416 173.145 100.114 44.331 0.00 0.00 C ATOM 8857 P G A 417 179.009 97.920 44.285 0.00 0.00 P ATOM 8858 O1P G A 417 180.041 96.874 44.113 0.00 0.00 O ATOM 8859 O2P G A 417 179.393 99.279 44.724 0.00 0.00 O ATOM 8860 O5* G A 417 178.237 98.091 42.891 0.00 0.00 O ATOM 8861 C5* G A 417 177.900 96.992 42.073 0.00 0.00 C ATOM 8862 C4* G A 417 177.092 97.484 40.865 0.00 0.00 C ATOM 8863 O4* G A 417 175.833 97.997 41.297 0.00 0.00 O ATOM 8864 C3* G A 417 177.784 98.597 40.064 0.00 0.00 C ATOM 8865 O3* G A 417 178.794 98.137 39.160 0.00 0.00 O ATOM 8866 C2* G A 417 176.548 99.234 39.407 0.00 0.00 C ATOM 8867 O2* G A 417 176.029 98.487 38.317 0.00 0.00 O ATOM 8868 C1* G A 417 175.520 99.157 40.537 0.00 0.00 C ATOM 8869 N9 G A 417 175.549 100.381 41.375 0.00 0.00 N ATOM 8870 C8 G A 417 176.253 100.648 42.525 0.00 0.00 C ATOM 8871 N7 G A 417 176.061 101.846 43.000 0.00 0.00 N ATOM 8872 C5 G A 417 175.137 102.414 42.122 0.00 0.00 C ATOM 8873 C6 G A 417 174.500 103.701 42.122 0.00 0.00 C ATOM 8874 O6 G A 417 174.635 104.616 42.925 0.00 0.00 O ATOM 8875 N1 G A 417 173.632 103.893 41.054 0.00 0.00 N ATOM 8876 C2 G A 417 173.463 102.966 40.056 0.00 0.00 C ATOM 8877 N2 G A 417 172.799 103.321 38.981 0.00 0.00 N ATOM 8878 N3 G A 417 174.032 101.758 40.035 0.00 0.00 N ATOM 8879 C4 G A 417 174.844 101.531 41.108 0.00 0.00 C ATOM 8880 P C A 418 179.940 99.137 38.582 0.00 0.00 P ATOM 8881 O1P C A 418 180.842 98.387 37.669 0.00 0.00 O ATOM 8882 O2P C A 418 180.533 99.927 39.704 0.00 0.00 O ATOM 8883 O5* C A 418 179.101 100.166 37.675 0.00 0.00 O ATOM 8884 C5* C A 418 178.549 99.821 36.410 0.00 0.00 C ATOM 8885 C4* C A 418 177.919 101.062 35.757 0.00 0.00 C ATOM 8886 O4* C A 418 176.834 101.562 36.538 0.00 0.00 O ATOM 8887 C3* C A 418 178.918 102.211 35.593 0.00 0.00 C ATOM 8888 O3* C A 418 179.808 102.027 34.482 0.00 0.00 O ATOM 8889 C2* C A 418 177.932 103.391 35.499 0.00 0.00 C ATOM 8890 O2* C A 418 177.326 103.561 34.227 0.00 0.00 O ATOM 8891 C1* C A 418 176.813 102.988 36.462 0.00 0.00 C ATOM 8892 N1 C A 418 176.977 103.623 37.806 0.00 0.00 N ATOM 8893 C2 C A 418 176.550 104.950 38.011 0.00 0.00 C ATOM 8894 O2 C A 418 176.119 105.658 37.095 0.00 0.00 O ATOM 8895 N3 C A 418 176.623 105.496 39.255 0.00 0.00 N ATOM 8896 C4 C A 418 177.092 104.764 40.260 0.00 0.00 C ATOM 8897 N4 C A 418 177.128 105.325 41.443 0.00 0.00 N ATOM 8898 C5 C A 418 177.559 103.430 40.101 0.00 0.00 C ATOM 8899 C6 C A 418 177.506 102.907 38.855 0.00 0.00 C ATOM 8900 P C A 419 181.306 102.651 34.459 0.00 0.00 P ATOM 8901 O1P C A 419 181.970 102.348 33.163 0.00 0.00 O ATOM 8902 O2P C A 419 181.998 102.237 35.714 0.00 0.00 O ATOM 8903 O5* C A 419 180.947 104.226 34.467 0.00 0.00 O ATOM 8904 C5* C A 419 180.486 104.841 33.267 0.00 0.00 C ATOM 8905 C4* C A 419 179.938 106.262 33.455 0.00 0.00 C ATOM 8906 O4* C A 419 178.890 106.340 34.422 0.00 0.00 O ATOM 8907 C3* C A 419 180.999 107.258 33.896 0.00 0.00 C ATOM 8908 O3* C A 419 181.888 107.629 32.858 0.00 0.00 O ATOM 8909 C2* C A 419 180.089 108.386 34.393 0.00 0.00 C ATOM 8910 O2* C A 419 179.428 109.108 33.358 0.00 0.00 O ATOM 8911 C1* C A 419 179.018 107.578 35.133 0.00 0.00 C ATOM 8912 N1 C A 419 179.375 107.389 36.576 0.00 0.00 N ATOM 8913 C2 C A 419 179.193 108.459 37.467 0.00 0.00 C ATOM 8914 O2 C A 419 178.873 109.580 37.072 0.00 0.00 O ATOM 8915 N3 C A 419 179.366 108.275 38.805 0.00 0.00 N ATOM 8916 C4 C A 419 179.694 107.069 39.252 0.00 0.00 C ATOM 8917 N4 C A 419 179.759 106.926 40.555 0.00 0.00 N ATOM 8918 C5 C A 419 179.978 105.972 38.385 0.00 0.00 C ATOM 8919 C6 C A 419 179.829 106.182 37.054 0.00 0.00 C ATOM 8920 P U A 420 183.383 108.120 33.190 0.00 0.00 P ATOM 8921 O1P U A 420 184.063 108.468 31.929 0.00 0.00 O ATOM 8922 O2P U A 420 184.006 107.149 34.120 0.00 0.00 O ATOM 8923 O5* U A 420 183.157 109.476 34.007 0.00 0.00 O ATOM 8924 C5* U A 420 182.748 110.676 33.382 0.00 0.00 C ATOM 8925 C4* U A 420 182.706 111.782 34.433 0.00 0.00 C ATOM 8926 O4* U A 420 181.755 111.472 35.458 0.00 0.00 O ATOM 8927 C3* U A 420 184.061 112.019 35.122 0.00 0.00 C ATOM 8928 O3* U A 420 185.021 112.743 34.324 0.00 0.00 O ATOM 8929 C2* U A 420 183.514 112.749 36.355 0.00 0.00 C ATOM 8930 O2* U A 420 183.105 114.052 35.970 0.00 0.00 O ATOM 8931 C1* U A 420 182.245 111.947 36.709 0.00 0.00 C ATOM 8932 N1 U A 420 182.456 110.827 37.689 0.00 0.00 N ATOM 8933 C2 U A 420 182.408 111.122 39.059 0.00 0.00 C ATOM 8934 O2 U A 420 182.281 112.255 39.511 0.00 0.00 O ATOM 8935 N3 U A 420 182.529 110.076 39.954 0.00 0.00 N ATOM 8936 C4 U A 420 182.777 108.766 39.613 0.00 0.00 C ATOM 8937 O4 U A 420 183.015 107.949 40.502 0.00 0.00 O ATOM 8938 C5 U A 420 182.786 108.513 38.187 0.00 0.00 C ATOM 8939 C6 U A 420 182.623 109.518 37.285 0.00 0.00 C ATOM 8940 P U A 421 186.628 112.684 34.605 0.00 0.00 P ATOM 8941 O1P U A 421 187.355 112.542 33.316 0.00 0.00 O ATOM 8942 O2P U A 421 186.892 111.670 35.658 0.00 0.00 O ATOM 8943 O5* U A 421 187.125 114.151 35.101 0.00 0.00 O ATOM 8944 C5* U A 421 186.583 114.885 36.195 0.00 0.00 C ATOM 8945 C4* U A 421 186.699 116.397 35.906 0.00 0.00 C ATOM 8946 O4* U A 421 186.023 116.642 34.677 0.00 0.00 O ATOM 8947 C3* U A 421 186.066 117.278 37.005 0.00 0.00 C ATOM 8948 O3* U A 421 186.997 117.991 37.835 0.00 0.00 O ATOM 8949 C2* U A 421 185.173 118.259 36.204 0.00 0.00 C ATOM 8950 O2* U A 421 185.579 119.622 36.299 0.00 0.00 O ATOM 8951 C1* U A 421 185.297 117.852 34.730 0.00 0.00 C ATOM 8952 N1 U A 421 183.993 117.716 34.004 0.00 0.00 N ATOM 8953 C2 U A 421 183.470 118.841 33.351 0.00 0.00 C ATOM 8954 O2 U A 421 183.994 119.948 33.425 0.00 0.00 O ATOM 8955 N3 U A 421 182.332 118.660 32.577 0.00 0.00 N ATOM 8956 C4 U A 421 181.685 117.456 32.383 0.00 0.00 C ATOM 8957 O4 U A 421 180.743 117.387 31.607 0.00 0.00 O ATOM 8958 C5 U A 421 182.266 116.340 33.103 0.00 0.00 C ATOM 8959 C6 U A 421 183.377 116.491 33.869 0.00 0.00 C ATOM 8960 P C A 422 188.016 117.317 38.895 0.00 0.00 P ATOM 8961 O1P C A 422 188.703 118.413 39.627 0.00 0.00 O ATOM 8962 O2P C A 422 188.859 116.330 38.181 0.00 0.00 O ATOM 8963 O5* C A 422 187.131 116.534 39.995 0.00 0.00 O ATOM 8964 C5* C A 422 186.261 117.199 40.913 0.00 0.00 C ATOM 8965 C4* C A 422 185.716 116.245 41.997 0.00 0.00 C ATOM 8966 O4* C A 422 185.121 115.134 41.339 0.00 0.00 O ATOM 8967 C3* C A 422 186.773 115.686 42.971 0.00 0.00 C ATOM 8968 O3* C A 422 186.216 115.485 44.265 0.00 0.00 O ATOM 8969 C2* C A 422 187.078 114.339 42.312 0.00 0.00 C ATOM 8970 O2* C A 422 187.682 113.350 43.135 0.00 0.00 O ATOM 8971 C1* C A 422 185.681 113.939 41.848 0.00 0.00 C ATOM 8972 N1 C A 422 185.736 112.909 40.783 0.00 0.00 N ATOM 8973 C2 C A 422 185.271 111.607 41.020 0.00 0.00 C ATOM 8974 O2 C A 422 184.691 111.290 42.059 0.00 0.00 O ATOM 8975 N3 C A 422 185.441 110.649 40.071 0.00 0.00 N ATOM 8976 C4 C A 422 186.001 110.975 38.920 0.00 0.00 C ATOM 8977 N4 C A 422 185.981 110.060 37.986 0.00 0.00 N ATOM 8978 C5 C A 422 186.509 112.277 38.642 0.00 0.00 C ATOM 8979 C6 C A 422 186.336 113.219 39.592 0.00 0.00 C ATOM 8980 P G A 423 186.477 116.509 45.486 0.00 0.00 P ATOM 8981 O1P G A 423 187.672 117.322 45.159 0.00 0.00 O ATOM 8982 O2P G A 423 186.417 115.748 46.750 0.00 0.00 O ATOM 8983 O5* G A 423 185.196 117.477 45.423 0.00 0.00 O ATOM 8984 C5* G A 423 183.868 116.991 45.576 0.00 0.00 C ATOM 8985 C4* G A 423 182.903 118.111 45.173 0.00 0.00 C ATOM 8986 O4* G A 423 183.306 118.572 43.893 0.00 0.00 O ATOM 8987 C3* G A 423 181.436 117.690 45.008 0.00 0.00 C ATOM 8988 O3* G A 423 180.707 117.668 46.234 0.00 0.00 O ATOM 8989 C2* G A 423 180.955 118.785 44.026 0.00 0.00 C ATOM 8990 O2* G A 423 180.586 119.990 44.688 0.00 0.00 O ATOM 8991 C1* G A 423 182.202 119.101 43.198 0.00 0.00 C ATOM 8992 N9 G A 423 182.196 118.548 41.816 0.00 0.00 N ATOM 8993 C8 G A 423 182.244 119.263 40.646 0.00 0.00 C ATOM 8994 N7 G A 423 182.347 118.539 39.568 0.00 0.00 N ATOM 8995 C5 G A 423 182.327 117.225 40.039 0.00 0.00 C ATOM 8996 C6 G A 423 182.401 115.964 39.338 0.00 0.00 C ATOM 8997 O6 G A 423 182.532 115.710 38.136 0.00 0.00 O ATOM 8998 N1 G A 423 182.302 114.882 40.185 0.00 0.00 N ATOM 8999 C2 G A 423 182.239 114.969 41.540 0.00 0.00 C ATOM 9000 N2 G A 423 182.287 113.829 42.196 0.00 0.00 N ATOM 9001 N3 G A 423 182.172 116.111 42.221 0.00 0.00 N ATOM 9002 C4 G A 423 182.216 117.220 41.419 0.00 0.00 C ATOM 9003 P G A 424 179.604 116.544 46.562 0.00 0.00 P ATOM 9004 O1P G A 424 178.752 116.919 47.708 0.00 0.00 O ATOM 9005 O2P G A 424 180.216 115.205 46.654 0.00 0.00 O ATOM 9006 O5* G A 424 178.601 116.383 45.346 0.00 0.00 O ATOM 9007 C5* G A 424 177.907 117.469 44.774 0.00 0.00 C ATOM 9008 C4* G A 424 177.837 117.199 43.266 0.00 0.00 C ATOM 9009 O4* G A 424 179.044 116.598 42.801 0.00 0.00 O ATOM 9010 C3* G A 424 176.735 116.236 42.877 0.00 0.00 C ATOM 9011 O3* G A 424 175.482 116.879 42.824 0.00 0.00 O ATOM 9012 C2* G A 424 177.261 115.747 41.525 0.00 0.00 C ATOM 9013 O2* G A 424 177.162 116.689 40.471 0.00 0.00 O ATOM 9014 C1* G A 424 178.745 115.617 41.833 0.00 0.00 C ATOM 9015 N9 G A 424 179.063 114.245 42.284 0.00 0.00 N ATOM 9016 C8 G A 424 179.343 113.716 43.523 0.00 0.00 C ATOM 9017 N7 G A 424 179.553 112.418 43.519 0.00 0.00 N ATOM 9018 C5 G A 424 179.424 112.077 42.166 0.00 0.00 C ATOM 9019 C6 G A 424 179.557 110.820 41.482 0.00 0.00 C ATOM 9020 O6 G A 424 179.849 109.725 41.974 0.00 0.00 O ATOM 9021 N1 G A 424 179.319 110.910 40.119 0.00 0.00 N ATOM 9022 C2 G A 424 179.049 112.095 39.484 0.00 0.00 C ATOM 9023 N2 G A 424 178.853 112.116 38.192 0.00 0.00 N ATOM 9024 N3 G A 424 178.960 113.272 40.080 0.00 0.00 N ATOM 9025 C4 G A 424 179.139 113.193 41.422 0.00 0.00 C ATOM 9026 P G A 425 174.139 116.019 42.814 0.00 0.00 P ATOM 9027 O1P G A 425 173.002 116.955 42.906 0.00 0.00 O ATOM 9028 O2P G A 425 174.313 114.937 43.806 0.00 0.00 O ATOM 9029 O5* G A 425 174.177 115.367 41.347 0.00 0.00 O ATOM 9030 C5* G A 425 173.866 116.122 40.190 0.00 0.00 C ATOM 9031 C4* G A 425 173.929 115.218 38.957 0.00 0.00 C ATOM 9032 O4* G A 425 175.211 114.610 38.818 0.00 0.00 O ATOM 9033 C3* G A 425 172.922 114.078 39.038 0.00 0.00 C ATOM 9034 O3* G A 425 171.605 114.463 38.712 0.00 0.00 O ATOM 9035 C2* G A 425 173.532 113.091 38.048 0.00 0.00 C ATOM 9036 O2* G A 425 173.352 113.431 36.679 0.00 0.00 O ATOM 9037 C1* G A 425 175.012 113.265 38.389 0.00 0.00 C ATOM 9038 N9 G A 425 175.412 112.273 39.417 0.00 0.00 N ATOM 9039 C8 G A 425 175.619 112.393 40.769 0.00 0.00 C ATOM 9040 N7 G A 425 176.080 111.306 41.336 0.00 0.00 N ATOM 9041 C5 G A 425 176.092 110.366 40.300 0.00 0.00 C ATOM 9042 C6 G A 425 176.451 108.970 40.260 0.00 0.00 C ATOM 9043 O6 G A 425 176.949 108.255 41.131 0.00 0.00 O ATOM 9044 N1 G A 425 176.173 108.382 39.035 0.00 0.00 N ATOM 9045 C2 G A 425 175.716 109.072 37.946 0.00 0.00 C ATOM 9046 N2 G A 425 175.451 108.426 36.838 0.00 0.00 N ATOM 9047 N3 G A 425 175.454 110.369 37.926 0.00 0.00 N ATOM 9048 C4 G A 425 175.643 110.956 39.139 0.00 0.00 C ATOM 9049 P U A 426 170.361 113.658 39.317 0.00 0.00 P ATOM 9050 O1P U A 426 169.135 114.285 38.770 0.00 0.00 O ATOM 9051 O2P U A 426 170.565 113.537 40.772 0.00 0.00 O ATOM 9052 O5* U A 426 170.556 112.191 38.673 0.00 0.00 O ATOM 9053 C5* U A 426 170.188 111.963 37.333 0.00 0.00 C ATOM 9054 C4* U A 426 170.424 110.526 36.842 0.00 0.00 C ATOM 9055 O4* U A 426 171.762 110.082 37.093 0.00 0.00 O ATOM 9056 C3* U A 426 169.488 109.505 37.484 0.00 0.00 C ATOM 9057 O3* U A 426 168.160 109.511 36.940 0.00 0.00 O ATOM 9058 C2* U A 426 170.297 108.220 37.241 0.00 0.00 C ATOM 9059 O2* U A 426 170.244 107.707 35.915 0.00 0.00 O ATOM 9060 C1* U A 426 171.744 108.689 37.417 0.00 0.00 C ATOM 9061 N1 U A 426 172.285 108.392 38.778 0.00 0.00 N ATOM 9062 C2 U A 426 172.804 107.109 39.030 0.00 0.00 C ATOM 9063 O2 U A 426 172.675 106.152 38.267 0.00 0.00 O ATOM 9064 N3 U A 426 173.478 106.923 40.225 0.00 0.00 N ATOM 9065 C4 U A 426 173.561 107.848 41.243 0.00 0.00 C ATOM 9066 O4 U A 426 174.143 107.556 42.275 0.00 0.00 O ATOM 9067 C5 U A 426 172.948 109.122 40.945 0.00 0.00 C ATOM 9068 C6 U A 426 172.348 109.364 39.752 0.00 0.00 C ATOM 9069 P U A 427 166.872 109.056 37.820 0.00 0.00 P ATOM 9070 O1P U A 427 165.592 109.606 37.271 0.00 0.00 O ATOM 9071 O2P U A 427 167.227 109.295 39.232 0.00 0.00 O ATOM 9072 O5* U A 427 166.863 107.448 37.710 0.00 0.00 O ATOM 9073 C5* U A 427 166.981 106.693 36.519 0.00 0.00 C ATOM 9074 C4* U A 427 167.377 105.247 36.900 0.00 0.00 C ATOM 9075 O4* U A 427 168.682 105.163 37.472 0.00 0.00 O ATOM 9076 C3* U A 427 166.423 104.631 37.924 0.00 0.00 C ATOM 9077 O3* U A 427 165.313 104.063 37.248 0.00 0.00 O ATOM 9078 C2* U A 427 167.281 103.625 38.698 0.00 0.00 C ATOM 9079 O2* U A 427 167.184 102.309 38.174 0.00 0.00 O ATOM 9080 C1* U A 427 168.689 104.231 38.560 0.00 0.00 C ATOM 9081 N1 U A 427 169.105 104.915 39.818 0.00 0.00 N ATOM 9082 C2 U A 427 169.859 104.199 40.762 0.00 0.00 C ATOM 9083 O2 U A 427 170.103 102.993 40.688 0.00 0.00 O ATOM 9084 N3 U A 427 170.353 104.926 41.827 0.00 0.00 N ATOM 9085 C4 U A 427 170.131 106.259 42.078 0.00 0.00 C ATOM 9086 O4 U A 427 170.643 106.798 43.044 0.00 0.00 O ATOM 9087 C5 U A 427 169.274 106.907 41.117 0.00 0.00 C ATOM 9088 C6 U A 427 168.790 106.240 40.042 0.00 0.00 C ATOM 9089 P G A 428 163.907 103.912 37.960 0.00 0.00 P ATOM 9090 O1P G A 428 164.107 102.954 39.075 0.00 0.00 O ATOM 9091 O2P G A 428 162.934 103.593 36.896 0.00 0.00 O ATOM 9092 O5* G A 428 163.690 105.394 38.509 0.00 0.00 O ATOM 9093 C5* G A 428 162.547 105.785 39.228 0.00 0.00 C ATOM 9094 C4* G A 428 162.953 106.662 40.408 0.00 0.00 C ATOM 9095 O4* G A 428 163.599 105.832 41.346 0.00 0.00 O ATOM 9096 C3* G A 428 163.933 107.809 40.068 0.00 0.00 C ATOM 9097 O3* G A 428 163.309 109.078 40.049 0.00 0.00 O ATOM 9098 C2* G A 428 165.112 107.617 41.027 0.00 0.00 C ATOM 9099 O2* G A 428 165.552 108.746 41.749 0.00 0.00 O ATOM 9100 C1* G A 428 164.558 106.610 42.015 0.00 0.00 C ATOM 9101 N9 G A 428 165.640 105.756 42.504 0.00 0.00 N ATOM 9102 C8 G A 428 166.078 104.558 42.018 0.00 0.00 C ATOM 9103 N7 G A 428 167.104 104.068 42.659 0.00 0.00 N ATOM 9104 C5 G A 428 167.348 105.016 43.662 0.00 0.00 C ATOM 9105 C6 G A 428 168.304 105.054 44.733 0.00 0.00 C ATOM 9106 O6 G A 428 169.138 104.200 45.026 0.00 0.00 O ATOM 9107 N1 G A 428 168.214 106.213 45.504 0.00 0.00 N ATOM 9108 C2 G A 428 167.235 107.159 45.325 0.00 0.00 C ATOM 9109 N2 G A 428 167.167 108.170 46.151 0.00 0.00 N ATOM 9110 N3 G A 428 166.326 107.143 44.360 0.00 0.00 N ATOM 9111 C4 G A 428 166.447 106.051 43.560 0.00 0.00 C ATOM 9112 P U A 429 162.638 109.837 41.288 0.00 0.00 P ATOM 9113 O1P U A 429 161.545 110.502 40.606 0.00 0.00 O ATOM 9114 O2P U A 429 163.597 110.674 42.038 0.00 0.00 O ATOM 9115 O5* U A 429 161.887 108.848 42.301 0.00 0.00 O ATOM 9116 C5* U A 429 160.625 109.224 42.843 0.00 0.00 C ATOM 9117 C4* U A 429 159.686 108.024 42.972 0.00 0.00 C ATOM 9118 O4* U A 429 160.017 107.377 44.179 0.00 0.00 O ATOM 9119 C3* U A 429 158.223 108.473 43.133 0.00 0.00 C ATOM 9120 O3* U A 429 157.289 107.414 42.979 0.00 0.00 O ATOM 9121 C2* U A 429 158.281 108.880 44.610 0.00 0.00 C ATOM 9122 O2* U A 429 157.019 109.175 45.181 0.00 0.00 O ATOM 9123 C1* U A 429 159.021 107.643 45.145 0.00 0.00 C ATOM 9124 N1 U A 429 159.695 107.677 46.466 0.00 0.00 N ATOM 9125 C2 U A 429 160.204 106.458 46.930 0.00 0.00 C ATOM 9126 O2 U A 429 160.121 105.401 46.308 0.00 0.00 O ATOM 9127 N3 U A 429 160.807 106.466 48.165 0.00 0.00 N ATOM 9128 C4 U A 429 160.984 107.555 48.981 0.00 0.00 C ATOM 9129 O4 U A 429 161.571 107.425 50.051 0.00 0.00 O ATOM 9130 C5 U A 429 160.462 108.790 48.422 0.00 0.00 C ATOM 9131 C6 U A 429 159.853 108.829 47.207 0.00 0.00 C ATOM 9132 P A A 430 157.055 106.623 41.604 0.00 0.00 P ATOM 9133 O1P A A 430 157.289 107.549 40.468 0.00 0.00 O ATOM 9134 O2P A A 430 155.743 105.945 41.742 0.00 0.00 O ATOM 9135 O5* A A 430 158.244 105.527 41.609 0.00 0.00 O ATOM 9136 C5* A A 430 158.476 104.675 42.723 0.00 0.00 C ATOM 9137 C4* A A 430 159.553 103.616 42.440 0.00 0.00 C ATOM 9138 O4* A A 430 160.833 104.180 42.169 0.00 0.00 O ATOM 9139 C3* A A 430 159.786 102.757 43.670 0.00 0.00 C ATOM 9140 O3* A A 430 158.743 101.836 43.893 0.00 0.00 O ATOM 9141 C2* A A 430 161.152 102.137 43.353 0.00 0.00 C ATOM 9142 O2* A A 430 161.167 101.051 42.434 0.00 0.00 O ATOM 9143 C1* A A 430 161.849 103.323 42.681 0.00 0.00 C ATOM 9144 N9 A A 430 162.659 104.042 43.683 0.00 0.00 N ATOM 9145 C8 A A 430 162.460 105.299 44.189 0.00 0.00 C ATOM 9146 N7 A A 430 163.284 105.635 45.144 0.00 0.00 N ATOM 9147 C5 A A 430 164.090 104.495 45.270 0.00 0.00 C ATOM 9148 C6 A A 430 165.157 104.125 46.117 0.00 0.00 C ATOM 9149 N6 A A 430 165.624 104.892 47.078 0.00 0.00 N ATOM 9150 N1 A A 430 165.765 102.935 45.991 0.00 0.00 N ATOM 9151 C2 A A 430 165.351 102.141 45.013 0.00 0.00 C ATOM 9152 N3 A A 430 164.353 102.332 44.155 0.00 0.00 N ATOM 9153 C4 A A 430 163.751 103.542 44.348 0.00 0.00 C ATOM 9154 P A A 431 158.315 101.430 45.384 0.00 0.00 P ATOM 9155 O1P A A 431 157.333 100.336 45.286 0.00 0.00 O ATOM 9156 O2P A A 431 158.007 102.665 46.141 0.00 0.00 O ATOM 9157 O5* A A 431 159.688 100.859 45.972 0.00 0.00 O ATOM 9158 C5* A A 431 160.256 99.656 45.492 0.00 0.00 C ATOM 9159 C4* A A 431 161.594 99.415 46.199 0.00 0.00 C ATOM 9160 O4* A A 431 162.467 100.543 46.140 0.00 0.00 O ATOM 9161 C3* A A 431 161.383 99.113 47.670 0.00 0.00 C ATOM 9162 O3* A A 431 161.011 97.761 47.854 0.00 0.00 O ATOM 9163 C2* A A 431 162.766 99.457 48.226 0.00 0.00 C ATOM 9164 O2* A A 431 163.752 98.448 48.017 0.00 0.00 O ATOM 9165 C1* A A 431 163.180 100.653 47.368 0.00 0.00 C ATOM 9166 N9 A A 431 162.949 101.945 48.067 0.00 0.00 N ATOM 9167 C8 A A 431 162.104 102.983 47.753 0.00 0.00 C ATOM 9168 N7 A A 431 162.221 104.022 48.541 0.00 0.00 N ATOM 9169 C5 A A 431 163.211 103.647 49.453 0.00 0.00 C ATOM 9170 C6 A A 431 163.837 104.250 50.578 0.00 0.00 C ATOM 9171 N6 A A 431 163.591 105.448 51.086 0.00 0.00 N ATOM 9172 N1 A A 431 164.769 103.595 51.269 0.00 0.00 N ATOM 9173 C2 A A 431 165.088 102.371 50.876 0.00 0.00 C ATOM 9174 N3 A A 431 164.592 101.675 49.858 0.00 0.00 N ATOM 9175 C4 A A 431 163.648 102.377 49.173 0.00 0.00 C ATOM 9176 P A A 432 160.037 97.331 49.051 0.00 0.00 P ATOM 9177 O1P A A 432 159.965 95.856 49.043 0.00 0.00 O ATOM 9178 O2P A A 432 158.815 98.150 48.960 0.00 0.00 O ATOM 9179 O5* A A 432 160.879 97.817 50.328 0.00 0.00 O ATOM 9180 C5* A A 432 161.999 97.091 50.790 0.00 0.00 C ATOM 9181 C4* A A 432 162.668 97.842 51.945 0.00 0.00 C ATOM 9182 O4* A A 432 163.110 99.133 51.536 0.00 0.00 O ATOM 9183 C3* A A 432 161.733 98.045 53.131 0.00 0.00 C ATOM 9184 O3* A A 432 161.710 96.916 53.987 0.00 0.00 O ATOM 9185 C2* A A 432 162.363 99.279 53.785 0.00 0.00 C ATOM 9186 O2* A A 432 163.514 98.977 54.571 0.00 0.00 O ATOM 9187 C1* A A 432 162.837 100.074 52.568 0.00 0.00 C ATOM 9188 N9 A A 432 161.857 101.112 52.142 0.00 0.00 N ATOM 9189 C8 A A 432 160.929 101.106 51.123 0.00 0.00 C ATOM 9190 N7 A A 432 160.321 102.252 50.937 0.00 0.00 N ATOM 9191 C5 A A 432 160.844 103.061 51.948 0.00 0.00 C ATOM 9192 C6 A A 432 160.620 104.393 52.373 0.00 0.00 C ATOM 9193 N6 A A 432 159.762 105.240 51.825 0.00 0.00 N ATOM 9194 N1 A A 432 161.299 104.897 53.408 0.00 0.00 N ATOM 9195 C2 A A 432 162.178 104.113 54.019 0.00 0.00 C ATOM 9196 N3 A A 432 162.480 102.846 53.749 0.00 0.00 N ATOM 9197 C4 A A 432 161.770 102.372 52.688 0.00 0.00 C ATOM 9198 P G A 433 160.329 96.343 54.561 0.00 0.00 P ATOM 9199 O1P G A 433 160.642 95.304 55.565 0.00 0.00 O ATOM 9200 O2P G A 433 159.448 96.036 53.419 0.00 0.00 O ATOM 9201 O5* G A 433 159.751 97.636 55.317 0.00 0.00 O ATOM 9202 C5* G A 433 160.296 98.070 56.547 0.00 0.00 C ATOM 9203 C4* G A 433 159.734 99.444 56.928 0.00 0.00 C ATOM 9204 O4* G A 433 160.076 100.423 55.955 0.00 0.00 O ATOM 9205 C3* G A 433 158.216 99.461 57.051 0.00 0.00 C ATOM 9206 O3* G A 433 157.794 98.989 58.315 0.00 0.00 O ATOM 9207 C2* G A 433 157.921 100.944 56.802 0.00 0.00 C ATOM 9208 O2* G A 433 158.176 101.791 57.912 0.00 0.00 O ATOM 9209 C1* G A 433 158.974 101.292 55.756 0.00 0.00 C ATOM 9210 N9 G A 433 158.428 101.189 54.384 0.00 0.00 N ATOM 9211 C8 G A 433 158.361 100.122 53.523 0.00 0.00 C ATOM 9212 N7 G A 433 157.813 100.408 52.375 0.00 0.00 N ATOM 9213 C5 G A 433 157.496 101.765 52.469 0.00 0.00 C ATOM 9214 C6 G A 433 156.900 102.690 51.540 0.00 0.00 C ATOM 9215 O6 G A 433 156.499 102.524 50.398 0.00 0.00 O ATOM 9216 N1 G A 433 156.771 103.976 52.040 0.00 0.00 N ATOM 9217 C2 G A 433 157.086 104.310 53.328 0.00 0.00 C ATOM 9218 N2 G A 433 156.716 105.483 53.784 0.00 0.00 N ATOM 9219 N3 G A 433 157.649 103.491 54.210 0.00 0.00 N ATOM 9220 C4 G A 433 157.847 102.235 53.714 0.00 0.00 C ATOM 9221 P U A 434 156.311 98.427 58.526 0.00 0.00 P ATOM 9222 O1P U A 434 156.200 97.951 59.920 0.00 0.00 O ATOM 9223 O2P U A 434 156.000 97.531 57.395 0.00 0.00 O ATOM 9224 O5* U A 434 155.420 99.751 58.358 0.00 0.00 O ATOM 9225 C5* U A 434 155.306 100.708 59.392 0.00 0.00 C ATOM 9226 C4* U A 434 154.327 101.810 58.975 0.00 0.00 C ATOM 9227 O4* U A 434 154.791 102.520 57.828 0.00 0.00 O ATOM 9228 C3* U A 434 152.945 101.264 58.620 0.00 0.00 C ATOM 9229 O3* U A 434 152.182 100.960 59.776 0.00 0.00 O ATOM 9230 C2* U A 434 152.406 102.424 57.775 0.00 0.00 C ATOM 9231 O2* U A 434 151.958 103.539 58.526 0.00 0.00 O ATOM 9232 C1* U A 434 153.662 102.883 57.035 0.00 0.00 C ATOM 9233 N1 U A 434 153.733 102.304 55.664 0.00 0.00 N ATOM 9234 C2 U A 434 153.111 103.010 54.630 0.00 0.00 C ATOM 9235 O2 U A 434 152.438 104.023 54.805 0.00 0.00 O ATOM 9236 N3 U A 434 153.272 102.508 53.356 0.00 0.00 N ATOM 9237 C4 U A 434 153.936 101.356 53.012 0.00 0.00 C ATOM 9238 O4 U A 434 153.959 101.008 51.838 0.00 0.00 O ATOM 9239 C5 U A 434 154.526 100.658 54.132 0.00 0.00 C ATOM 9240 C6 U A 434 154.398 101.124 55.402 0.00 0.00 C ATOM 9241 P A A 435 151.059 99.810 59.759 0.00 0.00 P ATOM 9242 O1P A A 435 150.549 99.633 61.135 0.00 0.00 O ATOM 9243 O2P A A 435 151.579 98.659 58.996 0.00 0.00 O ATOM 9244 O5* A A 435 149.912 100.498 58.875 0.00 0.00 O ATOM 9245 C5* A A 435 149.047 101.466 59.432 0.00 0.00 C ATOM 9246 C4* A A 435 148.218 102.134 58.333 0.00 0.00 C ATOM 9247 O4* A A 435 149.083 102.720 57.360 0.00 0.00 O ATOM 9248 C3* A A 435 147.283 101.181 57.587 0.00 0.00 C ATOM 9249 O3* A A 435 146.058 100.946 58.263 0.00 0.00 O ATOM 9250 C2* A A 435 147.113 101.955 56.276 0.00 0.00 C ATOM 9251 O2* A A 435 146.224 103.058 56.353 0.00 0.00 O ATOM 9252 C1* A A 435 148.503 102.539 56.073 0.00 0.00 C ATOM 9253 N9 A A 435 149.306 101.641 55.214 0.00 0.00 N ATOM 9254 C8 A A 435 150.250 100.701 55.554 0.00 0.00 C ATOM 9255 N7 A A 435 150.867 100.173 54.534 0.00 0.00 N ATOM 9256 C5 A A 435 150.200 100.725 53.441 0.00 0.00 C ATOM 9257 C6 A A 435 150.281 100.537 52.047 0.00 0.00 C ATOM 9258 N6 A A 435 151.210 99.798 51.469 0.00 0.00 N ATOM 9259 N1 A A 435 149.395 101.124 51.228 0.00 0.00 N ATOM 9260 C2 A A 435 148.491 101.936 51.768 0.00 0.00 C ATOM 9261 N3 A A 435 148.330 102.246 53.051 0.00 0.00 N ATOM 9262 C4 A A 435 149.219 101.586 53.845 0.00 0.00 C ATOM 9263 P C A 436 145.110 99.710 57.860 0.00 0.00 P ATOM 9264 O1P C A 436 143.959 99.691 58.785 0.00 0.00 O ATOM 9265 O2P C A 436 145.970 98.519 57.706 0.00 0.00 O ATOM 9266 O5* C A 436 144.579 100.102 56.396 0.00 0.00 O ATOM 9267 C5* C A 436 143.588 101.084 56.169 0.00 0.00 C ATOM 9268 C4* C A 436 143.342 101.234 54.656 0.00 0.00 C ATOM 9269 O4* C A 436 144.537 101.530 53.924 0.00 0.00 O ATOM 9270 C3* C A 436 142.761 99.969 54.033 0.00 0.00 C ATOM 9271 O3* C A 436 141.363 99.857 54.240 0.00 0.00 O ATOM 9272 C2* C A 436 143.154 100.162 52.568 0.00 0.00 C ATOM 9273 O2* C A 436 142.348 101.073 51.840 0.00 0.00 O ATOM 9274 C1* C A 436 144.531 100.810 52.682 0.00 0.00 C ATOM 9275 N1 C A 436 145.624 99.792 52.584 0.00 0.00 N ATOM 9276 C2 C A 436 146.010 99.295 51.323 0.00 0.00 C ATOM 9277 O2 C A 436 145.340 99.499 50.307 0.00 0.00 O ATOM 9278 N3 C A 436 147.138 98.539 51.208 0.00 0.00 N ATOM 9279 C4 C A 436 147.835 98.247 52.304 0.00 0.00 C ATOM 9280 N4 C A 436 148.934 97.543 52.177 0.00 0.00 N ATOM 9281 C5 C A 436 147.431 98.650 53.606 0.00 0.00 C ATOM 9282 C6 C A 436 146.307 99.391 53.705 0.00 0.00 C ATOM 9283 P U A 437 140.640 98.421 54.277 0.00 0.00 P ATOM 9284 O1P U A 437 139.233 98.643 54.671 0.00 0.00 O ATOM 9285 O2P U A 437 141.496 97.482 55.022 0.00 0.00 O ATOM 9286 O5* U A 437 140.664 97.968 52.744 0.00 0.00 O ATOM 9287 C5* U A 437 139.732 98.479 51.827 0.00 0.00 C ATOM 9288 C4* U A 437 140.095 98.068 50.398 0.00 0.00 C ATOM 9289 O4* U A 437 141.442 98.424 50.073 0.00 0.00 O ATOM 9290 C3* U A 437 139.936 96.572 50.129 0.00 0.00 C ATOM 9291 O3* U A 437 138.618 96.211 49.742 0.00 0.00 O ATOM 9292 C2* U A 437 140.869 96.451 48.929 0.00 0.00 C ATOM 9293 O2* U A 437 140.234 96.961 47.772 0.00 0.00 O ATOM 9294 C1* U A 437 142.013 97.396 49.255 0.00 0.00 C ATOM 9295 N1 U A 437 143.140 96.658 49.897 0.00 0.00 N ATOM 9296 C2 U A 437 144.013 95.925 49.074 0.00 0.00 C ATOM 9297 O2 U A 437 143.830 95.716 47.870 0.00 0.00 O ATOM 9298 N3 U A 437 145.149 95.427 49.679 0.00 0.00 N ATOM 9299 C4 U A 437 145.507 95.579 50.998 0.00 0.00 C ATOM 9300 O4 U A 437 146.583 95.145 51.384 0.00 0.00 O ATOM 9301 C5 U A 437 144.511 96.249 51.803 0.00 0.00 C ATOM 9302 C6 U A 437 143.371 96.739 51.255 0.00 0.00 C ATOM 9303 P U A 438 138.083 94.704 49.908 0.00 0.00 P ATOM 9304 O1P U A 438 136.798 94.629 49.191 0.00 0.00 O ATOM 9305 O2P U A 438 138.154 94.371 51.341 0.00 0.00 O ATOM 9306 O5* U A 438 139.175 93.791 49.146 0.00 0.00 O ATOM 9307 C5* U A 438 139.262 93.652 47.735 0.00 0.00 C ATOM 9308 C4* U A 438 140.416 92.695 47.376 0.00 0.00 C ATOM 9309 O4* U A 438 141.619 93.159 47.971 0.00 0.00 O ATOM 9310 C3* U A 438 140.185 91.266 47.883 0.00 0.00 C ATOM 9311 O3* U A 438 139.445 90.330 47.095 0.00 0.00 O ATOM 9312 C2* U A 438 141.598 90.769 48.215 0.00 0.00 C ATOM 9313 O2* U A 438 142.213 90.039 47.161 0.00 0.00 O ATOM 9314 C1* U A 438 142.390 92.066 48.450 0.00 0.00 C ATOM 9315 N1 U A 438 142.797 92.266 49.875 0.00 0.00 N ATOM 9316 C2 U A 438 144.082 91.847 50.251 0.00 0.00 C ATOM 9317 O2 U A 438 144.819 91.231 49.488 0.00 0.00 O ATOM 9318 N3 U A 438 144.514 92.176 51.527 0.00 0.00 N ATOM 9319 C4 U A 438 143.788 92.904 52.448 0.00 0.00 C ATOM 9320 O4 U A 438 144.299 93.237 53.507 0.00 0.00 O ATOM 9321 C5 U A 438 142.452 93.254 52.012 0.00 0.00 C ATOM 9322 C6 U A 438 141.992 92.927 50.777 0.00 0.00 C ATOM 9323 P U A 439 138.990 90.476 45.548 0.00 0.00 P ATOM 9324 O1P U A 439 138.672 91.884 45.216 0.00 0.00 O ATOM 9325 O2P U A 439 137.960 89.431 45.380 0.00 0.00 O ATOM 9326 O5* U A 439 140.253 90.069 44.632 0.00 0.00 O ATOM 9327 C5* U A 439 140.597 88.714 44.393 0.00 0.00 C ATOM 9328 C4* U A 439 141.161 88.517 42.981 0.00 0.00 C ATOM 9329 O4* U A 439 142.496 89.009 42.865 0.00 0.00 O ATOM 9330 C3* U A 439 141.232 87.027 42.666 0.00 0.00 C ATOM 9331 O3* U A 439 140.019 86.460 42.188 0.00 0.00 O ATOM 9332 C2* U A 439 142.370 86.977 41.646 0.00 0.00 C ATOM 9333 O2* U A 439 141.982 87.313 40.324 0.00 0.00 O ATOM 9334 C1* U A 439 143.299 88.095 42.113 0.00 0.00 C ATOM 9335 N1 U A 439 144.464 87.581 42.893 0.00 0.00 N ATOM 9336 C2 U A 439 145.395 86.734 42.265 0.00 0.00 C ATOM 9337 O2 U A 439 145.327 86.417 41.083 0.00 0.00 O ATOM 9338 N3 U A 439 146.467 86.283 43.019 0.00 0.00 N ATOM 9339 C4 U A 439 146.768 86.709 44.291 0.00 0.00 C ATOM 9340 O4 U A 439 147.761 86.275 44.857 0.00 0.00 O ATOM 9341 C5 U A 439 145.841 87.684 44.814 0.00 0.00 C ATOM 9342 C6 U A 439 144.725 88.061 44.150 0.00 0.00 C ATOM 9343 P C A 440 139.715 84.909 42.452 0.00 0.00 P ATOM 9344 O1P C A 440 138.626 84.420 41.580 0.00 0.00 O ATOM 9345 O2P C A 440 139.645 84.721 43.919 0.00 0.00 O ATOM 9346 O5* C A 440 141.071 84.244 41.904 0.00 0.00 O ATOM 9347 C5* C A 440 141.397 82.906 42.186 0.00 0.00 C ATOM 9348 C4* C A 440 142.916 82.709 42.212 0.00 0.00 C ATOM 9349 O4* C A 440 143.590 83.771 42.891 0.00 0.00 O ATOM 9350 C3* C A 440 143.236 81.427 42.982 0.00 0.00 C ATOM 9351 O3* C A 440 143.256 80.241 42.206 0.00 0.00 O ATOM 9352 C2* C A 440 144.583 81.770 43.612 0.00 0.00 C ATOM 9353 O2* C A 440 145.706 81.692 42.744 0.00 0.00 O ATOM 9354 C1* C A 440 144.361 83.245 43.962 0.00 0.00 C ATOM 9355 N1 C A 440 143.690 83.441 45.282 0.00 0.00 N ATOM 9356 C2 C A 440 144.391 83.082 46.443 0.00 0.00 C ATOM 9357 O2 C A 440 145.474 82.505 46.368 0.00 0.00 O ATOM 9358 N3 C A 440 143.915 83.434 47.665 0.00 0.00 N ATOM 9359 C4 C A 440 142.848 84.205 47.738 0.00 0.00 C ATOM 9360 N4 C A 440 142.655 84.733 48.926 0.00 0.00 N ATOM 9361 C5 C A 440 142.069 84.565 46.592 0.00 0.00 C ATOM 9362 C6 C A 440 142.515 84.145 45.387 0.00 0.00 C ATOM 9363 P A A 441 142.069 79.157 42.284 0.00 0.00 P ATOM 9364 O1P A A 441 142.479 77.945 41.557 0.00 0.00 O ATOM 9365 O2P A A 441 140.783 79.814 41.929 0.00 0.00 O ATOM 9366 O5* A A 441 142.001 78.793 43.850 0.00 0.00 O ATOM 9367 C5* A A 441 143.125 78.241 44.529 0.00 0.00 C ATOM 9368 C4* A A 441 143.051 78.497 46.038 0.00 0.00 C ATOM 9369 O4* A A 441 143.133 79.888 46.311 0.00 0.00 O ATOM 9370 C3* A A 441 141.751 78.041 46.689 0.00 0.00 C ATOM 9371 O3* A A 441 141.636 76.645 46.857 0.00 0.00 O ATOM 9372 C2* A A 441 141.796 78.841 47.990 0.00 0.00 C ATOM 9373 O2* A A 441 142.743 78.373 48.939 0.00 0.00 O ATOM 9374 C1* A A 441 142.290 80.166 47.421 0.00 0.00 C ATOM 9375 N9 A A 441 141.132 80.972 46.988 0.00 0.00 N ATOM 9376 C8 A A 441 140.526 81.083 45.761 0.00 0.00 C ATOM 9377 N7 A A 441 139.648 82.043 45.689 0.00 0.00 N ATOM 9378 C5 A A 441 139.692 82.616 46.965 0.00 0.00 C ATOM 9379 C6 A A 441 139.184 83.793 47.565 0.00 0.00 C ATOM 9380 N6 A A 441 138.475 84.740 46.975 0.00 0.00 N ATOM 9381 N1 A A 441 139.576 84.129 48.792 0.00 0.00 N ATOM 9382 C2 A A 441 140.288 83.267 49.495 0.00 0.00 C ATOM 9383 N3 A A 441 140.814 82.125 49.089 0.00 0.00 N ATOM 9384 C4 A A 441 140.516 81.890 47.784 0.00 0.00 C ATOM 9385 P G A 442 140.192 75.976 47.026 0.00 0.00 P ATOM 9386 O1P G A 442 140.372 74.515 47.092 0.00 0.00 O ATOM 9387 O2P G A 442 139.333 76.572 45.970 0.00 0.00 O ATOM 9388 O5* G A 442 139.687 76.525 48.447 0.00 0.00 O ATOM 9389 C5* G A 442 140.246 76.052 49.661 0.00 0.00 C ATOM 9390 C4* G A 442 139.560 76.712 50.859 0.00 0.00 C ATOM 9391 O4* G A 442 139.736 78.123 50.810 0.00 0.00 O ATOM 9392 C3* G A 442 138.055 76.452 50.914 0.00 0.00 C ATOM 9393 O3* G A 442 137.730 75.183 51.458 0.00 0.00 O ATOM 9394 C2* G A 442 137.609 77.631 51.781 0.00 0.00 C ATOM 9395 O2* G A 442 137.835 77.459 53.172 0.00 0.00 O ATOM 9396 C1* G A 442 138.558 78.734 51.313 0.00 0.00 C ATOM 9397 N9 G A 442 137.891 79.585 50.303 0.00 0.00 N ATOM 9398 C8 G A 442 137.948 79.579 48.933 0.00 0.00 C ATOM 9399 N7 G A 442 137.160 80.455 48.364 0.00 0.00 N ATOM 9400 C5 G A 442 136.498 81.065 49.438 0.00 0.00 C ATOM 9401 C6 G A 442 135.446 82.052 49.505 0.00 0.00 C ATOM 9402 O6 G A 442 134.905 82.699 48.604 0.00 0.00 O ATOM 9403 N1 G A 442 134.983 82.255 50.799 0.00 0.00 N ATOM 9404 C2 G A 442 135.528 81.666 51.906 0.00 0.00 C ATOM 9405 N2 G A 442 135.050 81.959 53.089 0.00 0.00 N ATOM 9406 N3 G A 442 136.530 80.800 51.885 0.00 0.00 N ATOM 9407 C4 G A 442 136.951 80.524 50.621 0.00 0.00 C ATOM 9408 P C A 443 136.327 74.476 51.126 0.00 0.00 P ATOM 9409 O1P C A 443 136.346 73.118 51.706 0.00 0.00 O ATOM 9410 O2P C A 443 136.052 74.674 49.689 0.00 0.00 O ATOM 9411 O5* C A 443 135.260 75.356 51.940 0.00 0.00 O ATOM 9412 C5* C A 443 135.086 75.253 53.340 0.00 0.00 C ATOM 9413 C4* C A 443 133.971 76.212 53.792 0.00 0.00 C ATOM 9414 O4* C A 443 134.273 77.572 53.453 0.00 0.00 O ATOM 9415 C3* C A 443 132.617 75.882 53.166 0.00 0.00 C ATOM 9416 O3* C A 443 131.926 74.868 53.879 0.00 0.00 O ATOM 9417 C2* C A 443 131.939 77.254 53.231 0.00 0.00 C ATOM 9418 O2* C A 443 131.408 77.581 54.500 0.00 0.00 O ATOM 9419 C1* C A 443 133.080 78.241 53.030 0.00 0.00 C ATOM 9420 N1 C A 443 133.137 78.724 51.619 0.00 0.00 N ATOM 9421 C2 C A 443 132.296 79.776 51.200 0.00 0.00 C ATOM 9422 O2 C A 443 131.452 80.284 51.948 0.00 0.00 O ATOM 9423 N3 C A 443 132.401 80.263 49.933 0.00 0.00 N ATOM 9424 C4 C A 443 133.291 79.724 49.105 0.00 0.00 C ATOM 9425 N4 C A 443 133.414 80.267 47.919 0.00 0.00 N ATOM 9426 C5 C A 443 134.159 78.660 49.482 0.00 0.00 C ATOM 9427 C6 C A 443 134.028 78.170 50.735 0.00 0.00 C ATOM 9428 P G A 444 130.685 74.086 53.222 0.00 0.00 P ATOM 9429 O1P G A 444 130.183 73.107 54.209 0.00 0.00 O ATOM 9430 O2P G A 444 131.076 73.655 51.866 0.00 0.00 O ATOM 9431 O5* G A 444 129.597 75.252 53.071 0.00 0.00 O ATOM 9432 C5* G A 444 128.818 75.661 54.176 0.00 0.00 C ATOM 9433 C4* G A 444 127.948 76.840 53.760 0.00 0.00 C ATOM 9434 O4* G A 444 128.715 77.903 53.200 0.00 0.00 O ATOM 9435 C3* G A 444 126.901 76.438 52.731 0.00 0.00 C ATOM 9436 O3* G A 444 125.872 75.712 53.392 0.00 0.00 O ATOM 9437 C2* G A 444 126.554 77.845 52.234 0.00 0.00 C ATOM 9438 O2* G A 444 125.794 78.614 53.147 0.00 0.00 O ATOM 9439 C1* G A 444 127.913 78.527 52.204 0.00 0.00 C ATOM 9440 N9 G A 444 128.507 78.454 50.850 0.00 0.00 N ATOM 9441 C8 G A 444 129.522 77.675 50.363 0.00 0.00 C ATOM 9442 N7 G A 444 129.915 78.008 49.161 0.00 0.00 N ATOM 9443 C5 G A 444 129.028 79.023 48.778 0.00 0.00 C ATOM 9444 C6 G A 444 128.870 79.781 47.557 0.00 0.00 C ATOM 9445 O6 G A 444 129.532 79.776 46.519 0.00 0.00 O ATOM 9446 N1 G A 444 127.774 80.634 47.583 0.00 0.00 N ATOM 9447 C2 G A 444 126.902 80.710 48.634 0.00 0.00 C ATOM 9448 N2 G A 444 125.817 81.431 48.510 0.00 0.00 N ATOM 9449 N3 G A 444 127.040 80.063 49.783 0.00 0.00 N ATOM 9450 C4 G A 444 128.123 79.238 49.795 0.00 0.00 C ATOM 9451 P G A 445 125.050 74.507 52.702 0.00 0.00 P ATOM 9452 O1P G A 445 124.613 73.564 53.751 0.00 0.00 O ATOM 9453 O2P G A 445 125.789 74.032 51.516 0.00 0.00 O ATOM 9454 O5* G A 445 123.773 75.306 52.183 0.00 0.00 O ATOM 9455 C5* G A 445 122.955 76.044 53.068 0.00 0.00 C ATOM 9456 C4* G A 445 122.440 77.257 52.301 0.00 0.00 C ATOM 9457 O4* G A 445 123.543 77.975 51.754 0.00 0.00 O ATOM 9458 C3* G A 445 121.533 76.871 51.142 0.00 0.00 C ATOM 9459 O3* G A 445 120.193 76.690 51.558 0.00 0.00 O ATOM 9460 C2* G A 445 121.757 78.066 50.216 0.00 0.00 C ATOM 9461 O2* G A 445 121.092 79.256 50.607 0.00 0.00 O ATOM 9462 C1* G A 445 123.239 78.344 50.417 0.00 0.00 C ATOM 9463 N9 G A 445 124.051 77.675 49.365 0.00 0.00 N ATOM 9464 C8 G A 445 124.833 76.543 49.371 0.00 0.00 C ATOM 9465 N7 G A 445 125.456 76.324 48.241 0.00 0.00 N ATOM 9466 C5 G A 445 125.028 77.356 47.402 0.00 0.00 C ATOM 9467 C6 G A 445 125.307 77.674 46.022 0.00 0.00 C ATOM 9468 O6 G A 445 126.015 77.099 45.196 0.00 0.00 O ATOM 9469 N1 G A 445 124.649 78.812 45.584 0.00 0.00 N ATOM 9470 C2 G A 445 123.806 79.549 46.367 0.00 0.00 C ATOM 9471 N2 G A 445 123.195 80.584 45.845 0.00 0.00 N ATOM 9472 N3 G A 445 123.518 79.280 47.634 0.00 0.00 N ATOM 9473 C4 G A 445 124.163 78.174 48.095 0.00 0.00 C ATOM 9474 P G A 446 119.173 75.830 50.673 0.00 0.00 P ATOM 9475 O1P G A 446 117.879 75.803 51.386 0.00 0.00 O ATOM 9476 O2P G A 446 119.850 74.573 50.298 0.00 0.00 O ATOM 9477 O5* G A 446 119.035 76.746 49.360 0.00 0.00 O ATOM 9478 C5* G A 446 118.306 77.958 49.392 0.00 0.00 C ATOM 9479 C4* G A 446 118.508 78.725 48.083 0.00 0.00 C ATOM 9480 O4* G A 446 119.892 78.924 47.796 0.00 0.00 O ATOM 9481 C3* G A 446 117.920 77.993 46.888 0.00 0.00 C ATOM 9482 O3* G A 446 116.524 78.184 46.756 0.00 0.00 O ATOM 9483 C2* G A 446 118.715 78.641 45.753 0.00 0.00 C ATOM 9484 O2* G A 446 118.269 79.948 45.404 0.00 0.00 O ATOM 9485 C1* G A 446 120.093 78.795 46.391 0.00 0.00 C ATOM 9486 N9 G A 446 120.977 77.670 45.991 0.00 0.00 N ATOM 9487 C8 G A 446 121.433 76.577 46.685 0.00 0.00 C ATOM 9488 N7 G A 446 122.295 75.850 46.021 0.00 0.00 N ATOM 9489 C5 G A 446 122.368 76.454 44.762 0.00 0.00 C ATOM 9490 C6 G A 446 123.086 76.117 43.553 0.00 0.00 C ATOM 9491 O6 G A 446 123.874 75.200 43.312 0.00 0.00 O ATOM 9492 N1 G A 446 122.800 76.972 42.501 0.00 0.00 N ATOM 9493 C2 G A 446 121.966 78.050 42.602 0.00 0.00 C ATOM 9494 N2 G A 446 121.736 78.767 41.529 0.00 0.00 N ATOM 9495 N3 G A 446 121.322 78.410 43.706 0.00 0.00 N ATOM 9496 C4 G A 446 121.549 77.562 44.748 0.00 0.00 C ATOM 9497 P G A 447 115.599 77.033 46.135 0.00 0.00 P ATOM 9498 O1P G A 447 114.286 77.621 45.798 0.00 0.00 O ATOM 9499 O2P G A 447 115.686 75.856 47.017 0.00 0.00 O ATOM 9500 O5* G A 447 116.372 76.678 44.773 0.00 0.00 O ATOM 9501 C5* G A 447 116.288 77.502 43.630 0.00 0.00 C ATOM 9502 C4* G A 447 117.141 76.902 42.509 0.00 0.00 C ATOM 9503 O4* G A 447 118.533 76.869 42.812 0.00 0.00 O ATOM 9504 C3* G A 447 116.753 75.468 42.179 0.00 0.00 C ATOM 9505 O3* G A 447 115.496 75.464 41.536 0.00 0.00 O ATOM 9506 C2* G A 447 118.013 75.041 41.405 0.00 0.00 C ATOM 9507 O2* G A 447 118.211 75.624 40.132 0.00 0.00 O ATOM 9508 C1* G A 447 119.106 75.695 42.239 0.00 0.00 C ATOM 9509 N9 G A 447 119.596 74.774 43.282 0.00 0.00 N ATOM 9510 C8 G A 447 119.133 74.626 44.565 0.00 0.00 C ATOM 9511 N7 G A 447 119.776 73.733 45.258 0.00 0.00 N ATOM 9512 C5 G A 447 120.752 73.260 44.381 0.00 0.00 C ATOM 9513 C6 G A 447 121.775 72.271 44.568 0.00 0.00 C ATOM 9514 O6 G A 447 122.025 71.581 45.551 0.00 0.00 O ATOM 9515 N1 G A 447 122.551 72.068 43.443 0.00 0.00 N ATOM 9516 C2 G A 447 122.340 72.700 42.251 0.00 0.00 C ATOM 9517 N2 G A 447 123.066 72.236 41.253 0.00 0.00 N ATOM 9518 N3 G A 447 121.383 73.615 42.025 0.00 0.00 N ATOM 9519 C4 G A 447 120.629 73.868 43.147 0.00 0.00 C ATOM 9520 P A A 448 114.911 74.188 40.769 0.00 0.00 P ATOM 9521 O1P A A 448 113.444 74.324 40.652 0.00 0.00 O ATOM 9522 O2P A A 448 115.529 72.961 41.313 0.00 0.00 O ATOM 9523 O5* A A 448 115.582 74.538 39.359 0.00 0.00 O ATOM 9524 C5* A A 448 115.310 75.791 38.763 0.00 0.00 C ATOM 9525 C4* A A 448 115.964 75.892 37.399 0.00 0.00 C ATOM 9526 O4* A A 448 117.343 75.540 37.407 0.00 0.00 O ATOM 9527 C3* A A 448 115.364 74.951 36.375 0.00 0.00 C ATOM 9528 O3* A A 448 114.037 75.286 36.021 0.00 0.00 O ATOM 9529 C2* A A 448 116.403 75.174 35.276 0.00 0.00 C ATOM 9530 O2* A A 448 116.265 76.431 34.641 0.00 0.00 O ATOM 9531 C1* A A 448 117.707 75.312 36.052 0.00 0.00 C ATOM 9532 N9 A A 448 118.599 74.155 35.825 0.00 0.00 N ATOM 9533 C8 A A 448 118.932 73.126 36.665 0.00 0.00 C ATOM 9534 N7 A A 448 119.865 72.343 36.190 0.00 0.00 N ATOM 9535 C5 A A 448 120.158 72.873 34.934 0.00 0.00 C ATOM 9536 C6 A A 448 121.066 72.565 33.885 0.00 0.00 C ATOM 9537 N6 A A 448 121.973 71.600 33.846 0.00 0.00 N ATOM 9538 N1 A A 448 121.120 73.319 32.787 0.00 0.00 N ATOM 9539 C2 A A 448 120.299 74.356 32.710 0.00 0.00 C ATOM 9540 N3 A A 448 119.406 74.772 33.600 0.00 0.00 N ATOM 9541 C4 A A 448 119.376 73.973 34.702 0.00 0.00 C ATOM 9542 P G A 449 113.159 74.286 35.127 0.00 0.00 P ATOM 9543 O1P G A 449 111.754 74.736 35.206 0.00 0.00 O ATOM 9544 O2P G A 449 113.542 72.908 35.499 0.00 0.00 O ATOM 9545 O5* G A 449 113.751 74.608 33.668 0.00 0.00 O ATOM 9546 C5* G A 449 113.477 75.842 33.034 0.00 0.00 C ATOM 9547 C4* G A 449 114.330 75.978 31.767 0.00 0.00 C ATOM 9548 O4* G A 449 115.710 75.742 32.037 0.00 0.00 O ATOM 9549 C3* G A 449 113.944 74.990 30.678 0.00 0.00 C ATOM 9550 O3* G A 449 112.827 75.442 29.944 0.00 0.00 O ATOM 9551 C2* G A 449 115.228 74.973 29.833 0.00 0.00 C ATOM 9552 O2* G A 449 115.354 76.053 28.915 0.00 0.00 O ATOM 9553 C1* G A 449 116.317 75.152 30.887 0.00 0.00 C ATOM 9554 N9 G A 449 116.957 73.845 31.186 0.00 0.00 N ATOM 9555 C8 G A 449 116.734 73.006 32.246 0.00 0.00 C ATOM 9556 N7 G A 449 117.550 71.989 32.300 0.00 0.00 N ATOM 9557 C5 G A 449 118.314 72.097 31.136 0.00 0.00 C ATOM 9558 C6 G A 449 119.349 71.254 30.586 0.00 0.00 C ATOM 9559 O6 G A 449 119.887 70.250 31.041 0.00 0.00 O ATOM 9560 N1 G A 449 119.789 71.655 29.336 0.00 0.00 N ATOM 9561 C2 G A 449 119.314 72.768 28.701 0.00 0.00 C ATOM 9562 N2 G A 449 119.774 73.002 27.488 0.00 0.00 N ATOM 9563 N3 G A 449 118.400 73.608 29.201 0.00 0.00 N ATOM 9564 C4 G A 449 117.923 73.213 30.424 0.00 0.00 C ATOM 9565 P G A 450 111.420 74.675 29.960 0.00 0.00 P ATOM 9566 O1P G A 450 110.480 75.507 29.197 0.00 0.00 O ATOM 9567 O2P G A 450 111.111 74.235 31.333 0.00 0.00 O ATOM 9568 O5* G A 450 111.764 73.366 29.112 0.00 0.00 O ATOM 9569 C5* G A 450 112.108 73.453 27.747 0.00 0.00 C ATOM 9570 C4* G A 450 113.031 72.279 27.423 0.00 0.00 C ATOM 9571 O4* G A 450 114.196 72.397 28.240 0.00 0.00 O ATOM 9572 C3* G A 450 112.434 70.889 27.683 0.00 0.00 C ATOM 9573 O3* G A 450 111.797 70.317 26.543 0.00 0.00 O ATOM 9574 C2* G A 450 113.716 70.126 27.995 0.00 0.00 C ATOM 9575 O2* G A 450 114.384 69.837 26.814 0.00 0.00 O ATOM 9576 C1* G A 450 114.648 71.120 28.655 0.00 0.00 C ATOM 9577 N9 G A 450 114.681 70.904 30.117 0.00 0.00 N ATOM 9578 C8 G A 450 113.849 71.371 31.097 0.00 0.00 C ATOM 9579 N7 G A 450 114.089 70.867 32.278 0.00 0.00 N ATOM 9580 C5 G A 450 115.130 69.966 32.076 0.00 0.00 C ATOM 9581 C6 G A 450 115.765 69.013 32.954 0.00 0.00 C ATOM 9582 O6 G A 450 115.511 68.700 34.121 0.00 0.00 O ATOM 9583 N1 G A 450 116.772 68.305 32.330 0.00 0.00 N ATOM 9584 C2 G A 450 117.083 68.437 31.014 0.00 0.00 C ATOM 9585 N2 G A 450 117.870 67.529 30.506 0.00 0.00 N ATOM 9586 N3 G A 450 116.467 69.247 30.156 0.00 0.00 N ATOM 9587 C4 G A 450 115.510 70.008 30.752 0.00 0.00 C ATOM 9588 P A A 451 110.918 68.971 26.633 0.00 0.00 P ATOM 9589 O1P A A 451 111.458 68.058 27.682 0.00 0.00 O ATOM 9590 O2P A A 451 110.665 68.446 25.276 0.00 0.00 O ATOM 9591 O5* A A 451 109.579 69.636 27.169 0.00 0.00 O ATOM 9592 C5* A A 451 108.720 70.387 26.327 0.00 0.00 C ATOM 9593 C4* A A 451 107.681 71.142 27.165 0.00 0.00 C ATOM 9594 O4* A A 451 107.010 70.197 27.985 0.00 0.00 O ATOM 9595 C3* A A 451 108.269 72.214 28.092 0.00 0.00 C ATOM 9596 O3* A A 451 107.307 73.240 28.309 0.00 0.00 O ATOM 9597 C2* A A 451 108.524 71.406 29.370 0.00 0.00 C ATOM 9598 O2* A A 451 108.420 72.160 30.564 0.00 0.00 O ATOM 9599 C1* A A 451 107.415 70.363 29.337 0.00 0.00 C ATOM 9600 N9 A A 451 107.845 69.066 29.906 0.00 0.00 N ATOM 9601 C8 A A 451 108.255 67.934 29.241 0.00 0.00 C ATOM 9602 N7 A A 451 108.531 66.917 30.010 0.00 0.00 N ATOM 9603 C5 A A 451 108.279 67.429 31.283 0.00 0.00 C ATOM 9604 C6 A A 451 108.360 66.888 32.577 0.00 0.00 C ATOM 9605 N6 A A 451 108.761 65.658 32.811 0.00 0.00 N ATOM 9606 N1 A A 451 108.064 67.610 33.656 0.00 0.00 N ATOM 9607 C2 A A 451 107.706 68.875 33.466 0.00 0.00 C ATOM 9608 N3 A A 451 107.567 69.516 32.310 0.00 0.00 N ATOM 9609 C4 A A 451 107.875 68.734 31.239 0.00 0.00 C ATOM 9610 P A A 452 107.353 74.648 27.528 0.00 0.00 P ATOM 9611 O1P A A 452 108.505 74.637 26.595 0.00 0.00 O ATOM 9612 O2P A A 452 107.158 75.738 28.505 0.00 0.00 O ATOM 9613 O5* A A 452 106.030 74.619 26.621 0.00 0.00 O ATOM 9614 C5* A A 452 104.729 74.561 27.184 0.00 0.00 C ATOM 9615 C4* A A 452 104.155 73.268 26.629 0.00 0.00 C ATOM 9616 O4* A A 452 104.693 72.164 27.341 0.00 0.00 O ATOM 9617 C3* A A 452 102.661 72.969 26.721 0.00 0.00 C ATOM 9618 O3* A A 452 101.804 73.775 25.918 0.00 0.00 O ATOM 9619 C2* A A 452 102.745 71.495 26.275 0.00 0.00 C ATOM 9620 O2* A A 452 102.882 71.380 24.870 0.00 0.00 O ATOM 9621 C1* A A 452 104.099 71.019 26.780 0.00 0.00 C ATOM 9622 N9 A A 452 104.113 69.816 27.644 0.00 0.00 N ATOM 9623 C8 A A 452 104.057 69.699 29.012 0.00 0.00 C ATOM 9624 N7 A A 452 104.432 68.526 29.464 0.00 0.00 N ATOM 9625 C5 A A 452 104.723 67.798 28.302 0.00 0.00 C ATOM 9626 C6 A A 452 105.198 66.491 27.999 0.00 0.00 C ATOM 9627 N6 A A 452 105.487 65.509 28.833 0.00 0.00 N ATOM 9628 N1 A A 452 105.375 66.097 26.738 0.00 0.00 N ATOM 9629 C2 A A 452 105.094 66.960 25.774 0.00 0.00 C ATOM 9630 N3 A A 452 104.657 68.206 25.893 0.00 0.00 N ATOM 9631 C4 A A 452 104.489 68.572 27.195 0.00 0.00 C ATOM 9632 P G A 453 100.221 73.463 25.838 0.00 0.00 P ATOM 9633 O1P G A 453 99.514 74.639 25.289 0.00 0.00 O ATOM 9634 O2P G A 453 99.811 72.885 27.137 0.00 0.00 O ATOM 9635 O5* G A 453 100.164 72.296 24.721 0.00 0.00 O ATOM 9636 C5* G A 453 99.151 71.302 24.748 0.00 0.00 C ATOM 9637 C4* G A 453 99.652 70.057 24.009 0.00 0.00 C ATOM 9638 O4* G A 453 100.833 69.599 24.645 0.00 0.00 O ATOM 9639 C3* G A 453 98.661 68.897 24.044 0.00 0.00 C ATOM 9640 O3* G A 453 97.796 68.934 22.917 0.00 0.00 O ATOM 9641 C2* G A 453 99.597 67.676 24.046 0.00 0.00 C ATOM 9642 O2* G A 453 99.994 67.277 22.739 0.00 0.00 O ATOM 9643 C1* G A 453 100.853 68.188 24.751 0.00 0.00 C ATOM 9644 N9 G A 453 100.944 67.792 26.178 0.00 0.00 N ATOM 9645 C8 G A 453 100.707 68.563 27.289 0.00 0.00 C ATOM 9646 N7 G A 453 101.053 68.004 28.411 0.00 0.00 N ATOM 9647 C5 G A 453 101.536 66.753 28.032 0.00 0.00 C ATOM 9648 C6 G A 453 102.086 65.683 28.817 0.00 0.00 C ATOM 9649 O6 G A 453 102.267 65.629 30.029 0.00 0.00 O ATOM 9650 N1 G A 453 102.448 64.571 28.067 0.00 0.00 N ATOM 9651 C2 G A 453 102.298 64.508 26.705 0.00 0.00 C ATOM 9652 N2 G A 453 102.640 63.381 26.108 0.00 0.00 N ATOM 9653 N3 G A 453 101.810 65.495 25.944 0.00 0.00 N ATOM 9654 C4 G A 453 101.446 66.601 26.666 0.00 0.00 C ATOM 9655 P G A 454 96.250 68.521 23.022 0.00 0.00 P ATOM 9656 O1P G A 454 95.728 68.487 21.624 0.00 0.00 O ATOM 9657 O2P G A 454 95.643 69.419 24.021 0.00 0.00 O ATOM 9658 O5* G A 454 96.339 67.013 23.613 0.00 0.00 O ATOM 9659 C5* G A 454 96.585 65.925 22.741 0.00 0.00 C ATOM 9660 C4* G A 454 96.928 64.596 23.436 0.00 0.00 C ATOM 9661 O4* G A 454 98.132 64.707 24.186 0.00 0.00 O ATOM 9662 C3* G A 454 95.883 64.036 24.398 0.00 0.00 C ATOM 9663 O3* G A 454 94.822 63.313 23.787 0.00 0.00 O ATOM 9664 C2* G A 454 96.749 63.074 25.222 0.00 0.00 C ATOM 9665 O2* G A 454 96.948 61.807 24.601 0.00 0.00 O ATOM 9666 C1* G A 454 98.104 63.784 25.267 0.00 0.00 C ATOM 9667 N9 G A 454 98.281 64.461 26.572 0.00 0.00 N ATOM 9668 C8 G A 454 97.766 65.661 26.990 0.00 0.00 C ATOM 9669 N7 G A 454 97.989 65.923 28.246 0.00 0.00 N ATOM 9670 C5 G A 454 98.723 64.827 28.702 0.00 0.00 C ATOM 9671 C6 G A 454 99.255 64.516 30.001 0.00 0.00 C ATOM 9672 O6 G A 454 99.145 65.132 31.054 0.00 0.00 O ATOM 9673 N1 G A 454 99.988 63.340 30.034 0.00 0.00 N ATOM 9674 C2 G A 454 100.110 62.506 28.955 0.00 0.00 C ATOM 9675 N2 G A 454 100.838 61.414 29.099 0.00 0.00 N ATOM 9676 N3 G A 454 99.585 62.735 27.747 0.00 0.00 N ATOM 9677 C4 G A 454 98.915 63.927 27.675 0.00 0.00 C ATOM 9678 P G A 455 93.300 63.755 23.987 0.00 0.00 P ATOM 9679 O1P G A 455 92.476 62.633 23.492 0.00 0.00 O ATOM 9680 O2P G A 455 93.154 65.101 23.406 0.00 0.00 O ATOM 9681 O5* G A 455 93.145 63.813 25.584 0.00 0.00 O ATOM 9682 C5* G A 455 93.113 62.640 26.376 0.00 0.00 C ATOM 9683 C4* G A 455 93.139 63.002 27.863 0.00 0.00 C ATOM 9684 O4* G A 455 94.331 63.709 28.191 0.00 0.00 O ATOM 9685 C3* G A 455 91.961 63.874 28.291 0.00 0.00 C ATOM 9686 O3* G A 455 90.781 63.107 28.518 0.00 0.00 O ATOM 9687 C2* G A 455 92.553 64.523 29.547 0.00 0.00 C ATOM 9688 O2* G A 455 92.530 63.635 30.660 0.00 0.00 O ATOM 9689 C1* G A 455 94.012 64.742 29.118 0.00 0.00 C ATOM 9690 N9 G A 455 94.248 66.076 28.500 0.00 0.00 N ATOM 9691 C8 G A 455 94.289 66.436 27.174 0.00 0.00 C ATOM 9692 N7 G A 455 94.643 67.674 26.966 0.00 0.00 N ATOM 9693 C5 G A 455 94.794 68.210 28.244 0.00 0.00 C ATOM 9694 C6 G A 455 95.104 69.547 28.694 0.00 0.00 C ATOM 9695 O6 G A 455 95.403 70.561 28.060 0.00 0.00 O ATOM 9696 N1 G A 455 95.010 69.687 30.065 0.00 0.00 N ATOM 9697 C2 G A 455 94.766 68.646 30.913 0.00 0.00 C ATOM 9698 N2 G A 455 94.702 68.922 32.193 0.00 0.00 N ATOM 9699 N3 G A 455 94.552 67.382 30.545 0.00 0.00 N ATOM 9700 C4 G A 455 94.544 67.233 29.187 0.00 0.00 C ATOM 9701 P A A 456 89.340 63.778 28.373 0.00 0.00 P ATOM 9702 O1P A A 456 88.319 62.716 28.571 0.00 0.00 O ATOM 9703 O2P A A 456 89.332 64.444 27.070 0.00 0.00 O ATOM 9704 O5* A A 456 89.220 64.885 29.529 0.00 0.00 O ATOM 9705 C5* A A 456 89.072 64.534 30.895 0.00 0.00 C ATOM 9706 C4* A A 456 89.059 65.775 31.802 0.00 0.00 C ATOM 9707 O4* A A 456 90.309 66.457 31.814 0.00 0.00 O ATOM 9708 C3* A A 456 88.014 66.810 31.405 0.00 0.00 C ATOM 9709 O3* A A 456 86.713 66.421 31.808 0.00 0.00 O ATOM 9710 C2* A A 456 88.559 68.045 32.129 0.00 0.00 C ATOM 9711 O2* A A 456 88.310 68.032 33.529 0.00 0.00 O ATOM 9712 C1* A A 456 90.065 67.859 31.930 0.00 0.00 C ATOM 9713 N9 A A 456 90.569 68.537 30.713 0.00 0.00 N ATOM 9714 C8 A A 456 90.899 67.975 29.503 0.00 0.00 C ATOM 9715 N7 A A 456 91.507 68.783 28.684 0.00 0.00 N ATOM 9716 C5 A A 456 91.502 69.998 29.373 0.00 0.00 C ATOM 9717 C6 A A 456 91.931 71.303 29.052 0.00 0.00 C ATOM 9718 N6 A A 456 92.548 71.589 27.920 0.00 0.00 N ATOM 9719 N1 A A 456 91.717 72.325 29.897 0.00 0.00 N ATOM 9720 C2 A A 456 91.137 72.040 31.060 0.00 0.00 C ATOM 9721 N3 A A 456 90.708 70.861 31.511 0.00 0.00 N ATOM 9722 C4 A A 456 90.909 69.867 30.599 0.00 0.00 C ATOM 9723 P G A 457 85.425 66.918 30.999 0.00 0.00 P ATOM 9724 O1P G A 457 84.234 66.377 31.686 0.00 0.00 O ATOM 9725 O2P G A 457 85.670 66.595 29.575 0.00 0.00 O ATOM 9726 O5* G A 457 85.478 68.513 31.215 0.00 0.00 O ATOM 9727 C5* G A 457 85.066 69.104 32.441 0.00 0.00 C ATOM 9728 C4* G A 457 85.207 70.627 32.387 0.00 0.00 C ATOM 9729 O4* G A 457 86.579 70.972 32.269 0.00 0.00 O ATOM 9730 C3* G A 457 84.473 71.265 31.207 0.00 0.00 C ATOM 9731 O3* G A 457 83.089 71.455 31.456 0.00 0.00 O ATOM 9732 C2* G A 457 85.272 72.559 31.047 0.00 0.00 C ATOM 9733 O2* G A 457 84.946 73.582 31.975 0.00 0.00 O ATOM 9734 C1* G A 457 86.680 72.088 31.403 0.00 0.00 C ATOM 9735 N9 G A 457 87.454 71.770 30.185 0.00 0.00 N ATOM 9736 C8 G A 457 87.618 70.605 29.482 0.00 0.00 C ATOM 9737 N7 G A 457 88.375 70.731 28.420 0.00 0.00 N ATOM 9738 C5 G A 457 88.712 72.091 28.396 0.00 0.00 C ATOM 9739 C6 G A 457 89.469 72.909 27.475 0.00 0.00 C ATOM 9740 O6 G A 457 90.112 72.608 26.472 0.00 0.00 O ATOM 9741 N1 G A 457 89.402 74.263 27.774 0.00 0.00 N ATOM 9742 C2 G A 457 88.784 74.763 28.886 0.00 0.00 C ATOM 9743 N2 G A 457 88.674 76.055 29.049 0.00 0.00 N ATOM 9744 N3 G A 457 88.153 74.036 29.790 0.00 0.00 N ATOM 9745 C4 G A 457 88.131 72.716 29.475 0.00 0.00 C ATOM 9746 P U A 458 82.037 71.578 30.245 0.00 0.00 P ATOM 9747 O1P U A 458 80.674 71.501 30.807 0.00 0.00 O ATOM 9748 O2P U A 458 82.464 70.659 29.173 0.00 0.00 O ATOM 9749 O5* U A 458 82.278 73.071 29.711 0.00 0.00 O ATOM 9750 C5* U A 458 81.788 74.201 30.406 0.00 0.00 C ATOM 9751 C4* U A 458 82.194 75.477 29.660 0.00 0.00 C ATOM 9752 O4* U A 458 83.612 75.508 29.524 0.00 0.00 O ATOM 9753 C3* U A 458 81.581 75.586 28.262 0.00 0.00 C ATOM 9754 O3* U A 458 80.322 76.243 28.280 0.00 0.00 O ATOM 9755 C2* U A 458 82.657 76.381 27.519 0.00 0.00 C ATOM 9756 O2* U A 458 82.534 77.786 27.622 0.00 0.00 O ATOM 9757 C1* U A 458 83.942 76.059 28.257 0.00 0.00 C ATOM 9758 N1 U A 458 84.795 75.173 27.433 0.00 0.00 N ATOM 9759 C2 U A 458 85.634 75.783 26.495 0.00 0.00 C ATOM 9760 O2 U A 458 85.531 76.951 26.130 0.00 0.00 O ATOM 9761 N3 U A 458 86.609 74.992 25.934 0.00 0.00 N ATOM 9762 C4 U A 458 86.651 73.624 26.037 0.00 0.00 C ATOM 9763 O4 U A 458 87.454 73.012 25.366 0.00 0.00 O ATOM 9764 C5 U A 458 85.693 73.036 26.942 0.00 0.00 C ATOM 9765 C6 U A 458 84.795 73.808 27.599 0.00 0.00 C ATOM 9766 P A A 459 79.348 76.224 27.002 0.00 0.00 P ATOM 9767 O1P A A 459 78.091 76.905 27.373 0.00 0.00 O ATOM 9768 O2P A A 459 79.326 74.843 26.484 0.00 0.00 O ATOM 9769 O5* A A 459 80.129 77.140 25.925 0.00 0.00 O ATOM 9770 C5* A A 459 79.946 78.543 25.855 0.00 0.00 C ATOM 9771 C4* A A 459 80.694 79.120 24.647 0.00 0.00 C ATOM 9772 O4* A A 459 82.085 78.816 24.697 0.00 0.00 O ATOM 9773 C3* A A 459 80.195 78.575 23.310 0.00 0.00 C ATOM 9774 O3* A A 459 78.979 79.148 22.869 0.00 0.00 O ATOM 9775 C2* A A 459 81.388 78.915 22.417 0.00 0.00 C ATOM 9776 O2* A A 459 81.513 80.290 22.083 0.00 0.00 O ATOM 9777 C1* A A 459 82.530 78.578 23.365 0.00 0.00 C ATOM 9778 N9 A A 459 82.907 77.163 23.197 0.00 0.00 N ATOM 9779 C8 A A 459 82.544 76.066 23.940 0.00 0.00 C ATOM 9780 N7 A A 459 83.258 75.002 23.703 0.00 0.00 N ATOM 9781 C5 A A 459 84.042 75.401 22.622 0.00 0.00 C ATOM 9782 C6 A A 459 85.015 74.760 21.843 0.00 0.00 C ATOM 9783 N6 A A 459 85.478 73.558 22.130 0.00 0.00 N ATOM 9784 N1 A A 459 85.585 75.400 20.814 0.00 0.00 N ATOM 9785 C2 A A 459 85.218 76.653 20.561 0.00 0.00 C ATOM 9786 N3 A A 459 84.347 77.396 21.235 0.00 0.00 N ATOM 9787 C4 A A 459 83.787 76.695 22.262 0.00 0.00 C ATOM 9788 P A A 460 78.032 78.353 21.844 0.00 0.00 P ATOM 9789 O1P A A 460 76.835 79.180 21.587 0.00 0.00 O ATOM 9790 O2P A A 460 77.895 76.968 22.337 0.00 0.00 O ATOM 9791 O5* A A 460 78.928 78.300 20.507 0.00 0.00 O ATOM 9792 C5* A A 460 79.088 79.429 19.671 0.00 0.00 C ATOM 9793 C4* A A 460 80.079 79.123 18.539 0.00 0.00 C ATOM 9794 O4* A A 460 81.356 78.758 19.067 0.00 0.00 O ATOM 9795 C3* A A 460 79.646 77.978 17.623 0.00 0.00 C ATOM 9796 O3* A A 460 78.716 78.339 16.617 0.00 0.00 O ATOM 9797 C2* A A 460 81.002 77.578 17.040 0.00 0.00 C ATOM 9798 O2* A A 460 81.492 78.464 16.039 0.00 0.00 O ATOM 9799 C1* A A 460 81.909 77.724 18.256 0.00 0.00 C ATOM 9800 N9 A A 460 81.991 76.428 18.971 0.00 0.00 N ATOM 9801 C8 A A 460 81.278 75.975 20.055 0.00 0.00 C ATOM 9802 N7 A A 460 81.631 74.787 20.464 0.00 0.00 N ATOM 9803 C5 A A 460 82.625 74.409 19.558 0.00 0.00 C ATOM 9804 C6 A A 460 83.442 73.265 19.404 0.00 0.00 C ATOM 9805 N6 A A 460 83.400 72.218 20.212 0.00 0.00 N ATOM 9806 N1 A A 460 84.333 73.194 18.404 0.00 0.00 N ATOM 9807 C2 A A 460 84.410 74.228 17.570 0.00 0.00 C ATOM 9808 N3 A A 460 83.720 75.365 17.600 0.00 0.00 N ATOM 9809 C4 A A 460 82.835 75.396 18.634 0.00 0.00 C ATOM 9810 P A A 461 77.773 77.227 15.931 0.00 0.00 P ATOM 9811 O1P A A 461 77.025 77.882 14.836 0.00 0.00 O ATOM 9812 O2P A A 461 77.048 76.531 17.013 0.00 0.00 O ATOM 9813 O5* A A 461 78.810 76.164 15.286 0.00 0.00 O ATOM 9814 C5* A A 461 79.483 76.438 14.070 0.00 0.00 C ATOM 9815 C4* A A 461 80.552 75.384 13.736 0.00 0.00 C ATOM 9816 O4* A A 461 81.430 75.152 14.834 0.00 0.00 O ATOM 9817 C3* A A 461 80.027 74.008 13.339 0.00 0.00 C ATOM 9818 O3* A A 461 79.514 73.949 12.020 0.00 0.00 O ATOM 9819 C2* A A 461 81.310 73.188 13.518 0.00 0.00 C ATOM 9820 O2* A A 461 82.264 73.338 12.479 0.00 0.00 O ATOM 9821 C1* A A 461 81.931 73.824 14.750 0.00 0.00 C ATOM 9822 N9 A A 461 81.607 73.001 15.934 0.00 0.00 N ATOM 9823 C8 A A 461 80.644 73.180 16.895 0.00 0.00 C ATOM 9824 N7 A A 461 80.632 72.252 17.814 0.00 0.00 N ATOM 9825 C5 A A 461 81.648 71.379 17.411 0.00 0.00 C ATOM 9826 C6 A A 461 82.208 70.191 17.939 0.00 0.00 C ATOM 9827 N6 A A 461 81.834 69.630 19.077 0.00 0.00 N ATOM 9828 N1 A A 461 83.214 69.579 17.297 0.00 0.00 N ATOM 9829 C2 A A 461 83.668 70.126 16.176 0.00 0.00 C ATOM 9830 N3 A A 461 83.267 71.242 15.581 0.00 0.00 N ATOM 9831 C4 A A 461 82.239 71.826 16.260 0.00 0.00 C ATOM 9832 P G A 462 78.674 72.672 11.518 0.00 0.00 P ATOM 9833 O1P G A 462 78.136 72.979 10.177 0.00 0.00 O ATOM 9834 O2P G A 462 77.771 72.267 12.614 0.00 0.00 O ATOM 9835 O5* G A 462 79.798 71.526 11.364 0.00 0.00 O ATOM 9836 C5* G A 462 80.686 71.501 10.263 0.00 0.00 C ATOM 9837 C4* G A 462 81.689 70.349 10.407 0.00 0.00 C ATOM 9838 O4* G A 462 82.334 70.382 11.677 0.00 0.00 O ATOM 9839 C3* G A 462 81.044 68.977 10.245 0.00 0.00 C ATOM 9840 O3* G A 462 80.967 68.596 8.886 0.00 0.00 O ATOM 9841 C2* G A 462 82.005 68.100 11.047 0.00 0.00 C ATOM 9842 O2* G A 462 83.203 67.740 10.370 0.00 0.00 O ATOM 9843 C1* G A 462 82.411 69.048 12.170 0.00 0.00 C ATOM 9844 N9 G A 462 81.573 68.827 13.367 0.00 0.00 N ATOM 9845 C8 G A 462 80.550 69.566 13.906 0.00 0.00 C ATOM 9846 N7 G A 462 80.182 69.164 15.091 0.00 0.00 N ATOM 9847 C5 G A 462 80.945 68.017 15.313 0.00 0.00 C ATOM 9848 C6 G A 462 80.967 67.070 16.390 0.00 0.00 C ATOM 9849 O6 G A 462 80.339 67.064 17.442 0.00 0.00 O ATOM 9850 N1 G A 462 81.812 65.998 16.160 0.00 0.00 N ATOM 9851 C2 G A 462 82.545 65.837 15.021 0.00 0.00 C ATOM 9852 N2 G A 462 83.211 64.716 14.861 0.00 0.00 N ATOM 9853 N3 G A 462 82.581 66.712 14.022 0.00 0.00 N ATOM 9854 C4 G A 462 81.755 67.779 14.228 0.00 0.00 C ATOM 9855 P U A 463 79.791 67.645 8.358 0.00 0.00 P ATOM 9856 O1P U A 463 80.088 67.322 6.945 0.00 0.00 O ATOM 9857 O2P U A 463 78.508 68.270 8.735 0.00 0.00 O ATOM 9858 O5* U A 463 79.980 66.322 9.253 0.00 0.00 O ATOM 9859 C5* U A 463 80.949 65.346 8.933 0.00 0.00 C ATOM 9860 C4* U A 463 80.946 64.218 9.970 0.00 0.00 C ATOM 9861 O4* U A 463 81.273 64.681 11.278 0.00 0.00 O ATOM 9862 C3* U A 463 79.596 63.519 10.092 0.00 0.00 C ATOM 9863 O3* U A 463 79.362 62.617 9.027 0.00 0.00 O ATOM 9864 C2* U A 463 79.778 62.842 11.452 0.00 0.00 C ATOM 9865 O2* U A 463 80.631 61.704 11.391 0.00 0.00 O ATOM 9866 C1* U A 463 80.528 63.924 12.234 0.00 0.00 C ATOM 9867 N1 U A 463 79.605 64.778 13.041 0.00 0.00 N ATOM 9868 C2 U A 463 79.256 64.336 14.325 0.00 0.00 C ATOM 9869 O2 U A 463 79.597 63.244 14.769 0.00 0.00 O ATOM 9870 N3 U A 463 78.504 65.193 15.111 0.00 0.00 N ATOM 9871 C4 U A 463 78.068 66.446 14.731 0.00 0.00 C ATOM 9872 O4 U A 463 77.462 67.148 15.524 0.00 0.00 O ATOM 9873 C5 U A 463 78.415 66.810 13.373 0.00 0.00 C ATOM 9874 C6 U A 463 79.149 65.992 12.577 0.00 0.00 C ATOM 9875 P U A 464 77.870 62.159 8.656 0.00 0.00 P ATOM 9876 O1P U A 464 77.964 61.263 7.484 0.00 0.00 O ATOM 9877 O2P U A 464 77.027 63.369 8.613 0.00 0.00 O ATOM 9878 O5* U A 464 77.432 61.308 9.944 0.00 0.00 O ATOM 9879 C5* U A 464 77.884 59.990 10.188 0.00 0.00 C ATOM 9880 C4* U A 464 77.267 59.478 11.493 0.00 0.00 C ATOM 9881 O4* U A 464 77.672 60.266 12.613 0.00 0.00 O ATOM 9882 C3* U A 464 75.737 59.479 11.474 0.00 0.00 C ATOM 9883 O3* U A 464 75.211 58.363 10.772 0.00 0.00 O ATOM 9884 C2* U A 464 75.474 59.435 12.977 0.00 0.00 C ATOM 9885 O2* U A 464 75.695 58.135 13.507 0.00 0.00 O ATOM 9886 C1* U A 464 76.582 60.339 13.530 0.00 0.00 C ATOM 9887 N1 U A 464 76.134 61.747 13.734 0.00 0.00 N ATOM 9888 C2 U A 464 75.702 62.109 15.014 0.00 0.00 C ATOM 9889 O2 U A 464 75.699 61.331 15.966 0.00 0.00 O ATOM 9890 N3 U A 464 75.308 63.417 15.195 0.00 0.00 N ATOM 9891 C4 U A 464 75.317 64.403 14.235 0.00 0.00 C ATOM 9892 O4 U A 464 74.938 65.534 14.502 0.00 0.00 O ATOM 9893 C5 U A 464 75.828 63.977 12.950 0.00 0.00 C ATOM 9894 C6 U A 464 76.194 62.689 12.727 0.00 0.00 C ATOM 9895 P A A 465 73.802 58.434 10.010 0.00 0.00 P ATOM 9896 O1P A A 465 73.531 57.121 9.392 0.00 0.00 O ATOM 9897 O2P A A 465 73.770 59.656 9.182 0.00 0.00 O ATOM 9898 O5* A A 465 72.728 58.615 11.180 0.00 0.00 O ATOM 9899 C5* A A 465 71.384 58.937 10.877 0.00 0.00 C ATOM 9900 C4* A A 465 70.510 58.889 12.133 0.00 0.00 C ATOM 9901 O4* A A 465 70.318 57.555 12.584 0.00 0.00 O ATOM 9902 C3* A A 465 71.120 59.691 13.276 0.00 0.00 C ATOM 9903 O3* A A 465 70.715 61.043 13.190 0.00 0.00 O ATOM 9904 C2* A A 465 70.612 58.933 14.504 0.00 0.00 C ATOM 9905 O2* A A 465 69.297 59.284 14.905 0.00 0.00 O ATOM 9906 C1* A A 465 70.541 57.498 13.985 0.00 0.00 C ATOM 9907 N9 A A 465 71.761 56.706 14.265 0.00 0.00 N ATOM 9908 C8 A A 465 72.748 56.289 13.399 0.00 0.00 C ATOM 9909 N7 A A 465 73.574 55.415 13.908 0.00 0.00 N ATOM 9910 C5 A A 465 73.099 55.244 15.206 0.00 0.00 C ATOM 9911 C6 A A 465 73.469 54.409 16.281 0.00 0.00 C ATOM 9912 N6 A A 465 74.471 53.547 16.228 0.00 0.00 N ATOM 9913 N1 A A 465 72.798 54.451 17.435 0.00 0.00 N ATOM 9914 C2 A A 465 71.780 55.298 17.533 0.00 0.00 C ATOM 9915 N3 A A 465 71.303 56.124 16.603 0.00 0.00 N ATOM 9916 C4 A A 465 72.015 56.046 15.444 0.00 0.00 C ATOM 9917 P A A 466 71.666 62.212 13.715 0.00 0.00 P ATOM 9918 O1P A A 466 70.968 63.501 13.526 0.00 0.00 O ATOM 9919 O2P A A 466 73.022 61.992 13.175 0.00 0.00 O ATOM 9920 O5* A A 466 71.707 61.868 15.274 0.00 0.00 O ATOM 9921 C5* A A 466 70.623 62.177 16.126 0.00 0.00 C ATOM 9922 C4* A A 466 70.929 61.651 17.529 0.00 0.00 C ATOM 9923 O4* A A 466 71.023 60.231 17.555 0.00 0.00 O ATOM 9924 C3* A A 466 72.260 62.174 18.049 0.00 0.00 C ATOM 9925 O3* A A 466 72.147 63.518 18.468 0.00 0.00 O ATOM 9926 C2* A A 466 72.561 61.145 19.138 0.00 0.00 C ATOM 9927 O2* A A 466 71.797 61.297 20.326 0.00 0.00 O ATOM 9928 C1* A A 466 72.052 59.867 18.469 0.00 0.00 C ATOM 9929 N9 A A 466 73.135 59.116 17.784 0.00 0.00 N ATOM 9930 C8 A A 466 73.649 59.254 16.515 0.00 0.00 C ATOM 9931 N7 A A 466 74.555 58.363 16.189 0.00 0.00 N ATOM 9932 C5 A A 466 74.690 57.618 17.368 0.00 0.00 C ATOM 9933 C6 A A 466 75.505 56.534 17.776 0.00 0.00 C ATOM 9934 N6 A A 466 76.402 55.924 17.018 0.00 0.00 N ATOM 9935 N1 A A 466 75.391 56.015 19.000 0.00 0.00 N ATOM 9936 C2 A A 466 74.493 56.547 19.821 0.00 0.00 C ATOM 9937 N3 A A 466 73.671 57.566 19.591 0.00 0.00 N ATOM 9938 C4 A A 466 73.825 58.065 18.334 0.00 0.00 C ATOM 9939 P U A 467 73.448 64.407 18.734 0.00 0.00 P ATOM 9940 O1P U A 467 73.038 65.823 18.706 0.00 0.00 O ATOM 9941 O2P U A 467 74.535 63.906 17.858 0.00 0.00 O ATOM 9942 O5* U A 467 73.740 63.986 20.255 0.00 0.00 O ATOM 9943 C5* U A 467 72.922 64.456 21.315 0.00 0.00 C ATOM 9944 C4* U A 467 73.524 64.050 22.661 0.00 0.00 C ATOM 9945 O4* U A 467 73.586 62.632 22.784 0.00 0.00 O ATOM 9946 C3* U A 467 74.946 64.575 22.816 0.00 0.00 C ATOM 9947 O3* U A 467 74.986 65.920 23.255 0.00 0.00 O ATOM 9948 C2* U A 467 75.516 63.582 23.827 0.00 0.00 C ATOM 9949 O2* U A 467 75.191 63.898 25.176 0.00 0.00 O ATOM 9950 C1* U A 467 74.784 62.287 23.475 0.00 0.00 C ATOM 9951 N1 U A 467 75.643 61.368 22.674 0.00 0.00 N ATOM 9952 C2 U A 467 76.424 60.436 23.365 0.00 0.00 C ATOM 9953 O2 U A 467 76.501 60.400 24.589 0.00 0.00 O ATOM 9954 N3 U A 467 77.133 59.515 22.615 0.00 0.00 N ATOM 9955 C4 U A 467 77.116 59.432 21.238 0.00 0.00 C ATOM 9956 O4 U A 467 77.751 58.542 20.687 0.00 0.00 O ATOM 9957 C5 U A 467 76.334 60.463 20.584 0.00 0.00 C ATOM 9958 C6 U A 467 75.648 61.394 21.298 0.00 0.00 C ATOM 9959 P A A 468 76.180 66.886 22.798 0.00 0.00 P ATOM 9960 O1P A A 468 76.064 68.151 23.555 0.00 0.00 O ATOM 9961 O2P A A 468 76.211 66.894 21.326 0.00 0.00 O ATOM 9962 O5* A A 468 77.468 66.081 23.324 0.00 0.00 O ATOM 9963 C5* A A 468 77.838 66.118 24.686 0.00 0.00 C ATOM 9964 C4* A A 468 78.970 65.127 24.971 0.00 0.00 C ATOM 9965 O4* A A 468 78.598 63.778 24.695 0.00 0.00 O ATOM 9966 C3* A A 468 80.220 65.368 24.139 0.00 0.00 C ATOM 9967 O3* A A 468 80.956 66.507 24.542 0.00 0.00 O ATOM 9968 C2* A A 468 80.917 64.015 24.350 0.00 0.00 C ATOM 9969 O2* A A 468 81.410 63.820 25.671 0.00 0.00 O ATOM 9970 C1* A A 468 79.722 63.082 24.161 0.00 0.00 C ATOM 9971 N9 A A 468 79.543 62.709 22.729 0.00 0.00 N ATOM 9972 C8 A A 468 78.772 63.284 21.742 0.00 0.00 C ATOM 9973 N7 A A 468 78.820 62.660 20.593 0.00 0.00 N ATOM 9974 C5 A A 468 79.715 61.612 20.821 0.00 0.00 C ATOM 9975 C6 A A 468 80.238 60.551 20.039 0.00 0.00 C ATOM 9976 N6 A A 468 79.936 60.316 18.770 0.00 0.00 N ATOM 9977 N1 A A 468 81.113 59.683 20.565 0.00 0.00 N ATOM 9978 C2 A A 468 81.479 59.866 21.830 0.00 0.00 C ATOM 9979 N3 A A 468 81.054 60.791 22.685 0.00 0.00 N ATOM 9980 C4 A A 468 80.167 61.648 22.114 0.00 0.00 C ATOM 9981 P C A 469 81.931 67.239 23.503 0.00 0.00 P ATOM 9982 O1P C A 469 82.478 68.457 24.135 0.00 0.00 O ATOM 9983 O2P C A 469 81.254 67.288 22.182 0.00 0.00 O ATOM 9984 O5* C A 469 83.103 66.156 23.383 0.00 0.00 O ATOM 9985 C5* C A 469 83.924 65.795 24.466 0.00 0.00 C ATOM 9986 C4* C A 469 84.962 64.787 23.948 0.00 0.00 C ATOM 9987 O4* C A 469 85.772 65.401 22.958 0.00 0.00 O ATOM 9988 C3* C A 469 85.882 64.304 25.074 0.00 0.00 C ATOM 9989 O3* C A 469 85.489 63.055 25.675 0.00 0.00 O ATOM 9990 C2* C A 469 87.313 64.508 24.536 0.00 0.00 C ATOM 9991 O2* C A 469 87.905 63.287 24.128 0.00 0.00 O ATOM 9992 C1* C A 469 87.116 65.506 23.377 0.00 0.00 C ATOM 9993 N1 C A 469 87.436 66.952 23.649 0.00 0.00 N ATOM 9994 C2 C A 469 88.178 67.649 22.675 0.00 0.00 C ATOM 9995 O2 C A 469 88.648 67.079 21.691 0.00 0.00 O ATOM 9996 N3 C A 469 88.408 68.976 22.805 0.00 0.00 N ATOM 9997 C4 C A 469 87.932 69.618 23.853 0.00 0.00 C ATOM 9998 N4 C A 469 88.193 70.900 23.852 0.00 0.00 N ATOM 9999 C5 C A 469 87.204 68.966 24.900 0.00 0.00 C ATOM 10000 C6 C A 469 86.984 67.632 24.763 0.00 0.00 C ATOM 10001 P C A 470 85.579 61.556 25.014 0.00 0.00 P ATOM 10002 O1P C A 470 84.340 60.878 25.433 0.00 0.00 O ATOM 10003 O2P C A 470 86.866 60.972 25.476 0.00 0.00 O ATOM 10004 O5* C A 470 85.554 61.574 23.380 0.00 0.00 O ATOM 10005 C5* C A 470 85.680 60.349 22.653 0.00 0.00 C ATOM 10006 C4* C A 470 85.563 60.431 21.115 0.00 0.00 C ATOM 10007 O4* C A 470 84.245 60.704 20.669 0.00 0.00 O ATOM 10008 C3* C A 470 86.475 61.445 20.433 0.00 0.00 C ATOM 10009 O3* C A 470 87.787 60.928 20.291 0.00 0.00 O ATOM 10010 C2* C A 470 85.772 61.588 19.075 0.00 0.00 C ATOM 10011 O2* C A 470 86.147 60.550 18.171 0.00 0.00 O ATOM 10012 C1* C A 470 84.289 61.410 19.430 0.00 0.00 C ATOM 10013 N1 C A 470 83.536 62.696 19.544 0.00 0.00 N ATOM 10014 C2 C A 470 83.024 63.308 18.384 0.00 0.00 C ATOM 10015 O2 C A 470 83.359 62.950 17.252 0.00 0.00 O ATOM 10016 N3 C A 470 82.167 64.354 18.493 0.00 0.00 N ATOM 10017 C4 C A 470 81.862 64.819 19.698 0.00 0.00 C ATOM 10018 N4 C A 470 81.069 65.848 19.771 0.00 0.00 N ATOM 10019 C5 C A 470 82.412 64.286 20.891 0.00 0.00 C ATOM 10020 C6 C A 470 83.246 63.228 20.779 0.00 0.00 C ATOM 10021 P U A 471 89.070 61.881 20.284 0.00 0.00 P ATOM 10022 O1P U A 471 90.169 60.913 20.026 0.00 0.00 O ATOM 10023 O2P U A 471 89.020 62.714 21.509 0.00 0.00 O ATOM 10024 O5* U A 471 88.843 62.785 18.962 0.00 0.00 O ATOM 10025 C5* U A 471 89.199 62.351 17.652 0.00 0.00 C ATOM 10026 C4* U A 471 88.804 63.391 16.598 0.00 0.00 C ATOM 10027 O4* U A 471 87.388 63.549 16.581 0.00 0.00 O ATOM 10028 C3* U A 471 89.401 64.787 16.810 0.00 0.00 C ATOM 10029 O3* U A 471 90.765 64.914 16.412 0.00 0.00 O ATOM 10030 C2* U A 471 88.415 65.589 15.949 0.00 0.00 C ATOM 10031 O2* U A 471 88.638 65.472 14.544 0.00 0.00 O ATOM 10032 C1* U A 471 87.082 64.896 16.245 0.00 0.00 C ATOM 10033 N1 U A 471 86.308 65.591 17.313 0.00 0.00 N ATOM 10034 C2 U A 471 85.501 66.663 16.921 0.00 0.00 C ATOM 10035 O2 U A 471 85.518 67.137 15.787 0.00 0.00 O ATOM 10036 N3 U A 471 84.680 67.204 17.888 0.00 0.00 N ATOM 10037 C4 U A 471 84.610 66.825 19.204 0.00 0.00 C ATOM 10038 O4 U A 471 83.830 67.406 19.944 0.00 0.00 O ATOM 10039 C5 U A 471 85.515 65.748 19.554 0.00 0.00 C ATOM 10040 C6 U A 471 86.336 65.182 18.631 0.00 0.00 C ATOM 10041 P U A 472 91.674 66.185 16.837 0.00 0.00 P ATOM 10042 O1P U A 472 93.027 66.037 16.256 0.00 0.00 O ATOM 10043 O2P U A 472 91.541 66.422 18.293 0.00 0.00 O ATOM 10044 O5* U A 472 90.961 67.419 16.110 0.00 0.00 O ATOM 10045 C5* U A 472 91.126 67.648 14.726 0.00 0.00 C ATOM 10046 C4* U A 472 90.374 68.918 14.336 0.00 0.00 C ATOM 10047 O4* U A 472 88.984 68.834 14.659 0.00 0.00 O ATOM 10048 C3* U A 472 90.930 70.151 15.036 0.00 0.00 C ATOM 10049 O3* U A 472 92.125 70.601 14.407 0.00 0.00 O ATOM 10050 C2* U A 472 89.709 71.067 14.888 0.00 0.00 C ATOM 10051 O2* U A 472 89.527 71.602 13.581 0.00 0.00 O ATOM 10052 C1* U A 472 88.529 70.120 15.070 0.00 0.00 C ATOM 10053 N1 U A 472 87.935 70.173 16.435 0.00 0.00 N ATOM 10054 C2 U A 472 87.000 71.187 16.669 0.00 0.00 C ATOM 10055 O2 U A 472 86.788 72.101 15.874 0.00 0.00 O ATOM 10056 N3 U A 472 86.287 71.117 17.847 0.00 0.00 N ATOM 10057 C4 U A 472 86.405 70.148 18.814 0.00 0.00 C ATOM 10058 O4 U A 472 85.655 70.180 19.782 0.00 0.00 O ATOM 10059 C5 U A 472 87.442 69.169 18.538 0.00 0.00 C ATOM 10060 C6 U A 472 88.173 69.207 17.389 0.00 0.00 C ATOM 10061 P U A 473 93.161 71.561 15.165 0.00 0.00 P ATOM 10062 O1P U A 473 94.246 71.845 14.183 0.00 0.00 O ATOM 10063 O2P U A 473 93.496 70.957 16.470 0.00 0.00 O ATOM 10064 O5* U A 473 92.271 72.890 15.369 0.00 0.00 O ATOM 10065 C5* U A 473 92.098 73.819 14.312 0.00 0.00 C ATOM 10066 C4* U A 473 91.048 74.906 14.590 0.00 0.00 C ATOM 10067 O4* U A 473 89.725 74.415 14.778 0.00 0.00 O ATOM 10068 C3* U A 473 91.305 75.696 15.852 0.00 0.00 C ATOM 10069 O3* U A 473 92.330 76.608 15.755 0.00 0.00 O ATOM 10070 C2* U A 473 90.003 76.442 16.028 0.00 0.00 C ATOM 10071 O2* U A 473 89.783 77.468 15.075 0.00 0.00 O ATOM 10072 C1* U A 473 89.074 75.280 15.731 0.00 0.00 C ATOM 10073 N1 U A 473 88.794 74.612 17.030 0.00 0.00 N ATOM 10074 C2 U A 473 87.808 75.178 17.837 0.00 0.00 C ATOM 10075 O2 U A 473 87.263 76.252 17.601 0.00 0.00 O ATOM 10076 N3 U A 473 87.458 74.468 18.957 0.00 0.00 N ATOM 10077 C4 U A 473 88.023 73.294 19.387 0.00 0.00 C ATOM 10078 O4 U A 473 87.527 72.711 20.340 0.00 0.00 O ATOM 10079 C5 U A 473 89.173 72.876 18.617 0.00 0.00 C ATOM 10080 C6 U A 473 89.537 73.544 17.493 0.00 0.00 C ATOM 10081 P G A 474 93.135 76.983 17.056 0.00 0.00 P ATOM 10082 O1P G A 474 94.379 77.442 16.492 0.00 0.00 O ATOM 10083 O2P G A 474 93.183 75.803 17.941 0.00 0.00 O ATOM 10084 O5* G A 474 92.335 78.144 17.879 0.00 0.00 O ATOM 10085 C5* G A 474 91.936 79.458 17.464 0.00 0.00 C ATOM 10086 C4* G A 474 91.105 80.029 18.622 0.00 0.00 C ATOM 10087 O4* G A 474 89.925 79.239 18.667 0.00 0.00 O ATOM 10088 C3* G A 474 91.725 79.995 20.039 0.00 0.00 C ATOM 10089 O3* G A 474 92.482 81.133 20.419 0.00 0.00 O ATOM 10090 C2* G A 474 90.457 79.895 20.886 0.00 0.00 C ATOM 10091 O2* G A 474 89.728 81.106 21.030 0.00 0.00 O ATOM 10092 C1* G A 474 89.610 78.985 20.018 0.00 0.00 C ATOM 10093 N9 G A 474 89.791 77.574 20.432 0.00 0.00 N ATOM 10094 C8 G A 474 90.697 76.590 20.102 0.00 0.00 C ATOM 10095 N7 G A 474 90.481 75.451 20.710 0.00 0.00 N ATOM 10096 C5 G A 474 89.384 75.709 21.536 0.00 0.00 C ATOM 10097 C6 G A 474 88.655 74.896 22.472 0.00 0.00 C ATOM 10098 O6 G A 474 88.798 73.708 22.737 0.00 0.00 O ATOM 10099 N1 G A 474 87.662 75.593 23.156 0.00 0.00 N ATOM 10100 C2 G A 474 87.414 76.929 22.946 0.00 0.00 C ATOM 10101 N2 G A 474 86.509 77.592 23.617 0.00 0.00 N ATOM 10102 N3 G A 474 88.035 77.686 22.063 0.00 0.00 N ATOM 10103 C4 G A 474 89.005 77.019 21.393 0.00 0.00 C ATOM 10104 P C A 475 93.489 81.107 21.679 0.00 0.00 P ATOM 10105 O1P C A 475 94.211 82.401 21.668 0.00 0.00 O ATOM 10106 O2P C A 475 94.217 79.821 21.659 0.00 0.00 O ATOM 10107 O5* C A 475 92.513 81.074 22.950 0.00 0.00 O ATOM 10108 C5* C A 475 91.874 82.236 23.427 0.00 0.00 C ATOM 10109 C4* C A 475 90.930 81.868 24.577 0.00 0.00 C ATOM 10110 O4* C A 475 90.063 80.785 24.226 0.00 0.00 O ATOM 10111 C3* C A 475 91.673 81.441 25.839 0.00 0.00 C ATOM 10112 O3* C A 475 92.139 82.554 26.587 0.00 0.00 O ATOM 10113 C2* C A 475 90.570 80.645 26.544 0.00 0.00 C ATOM 10114 O2* C A 475 89.591 81.468 27.168 0.00 0.00 O ATOM 10115 C1* C A 475 89.866 79.952 25.372 0.00 0.00 C ATOM 10116 N1 C A 475 90.335 78.544 25.155 0.00 0.00 N ATOM 10117 C2 C A 475 89.775 77.515 25.929 0.00 0.00 C ATOM 10118 O2 C A 475 89.049 77.759 26.892 0.00 0.00 O ATOM 10119 N3 C A 475 90.056 76.209 25.655 0.00 0.00 N ATOM 10120 C4 C A 475 90.899 75.926 24.664 0.00 0.00 C ATOM 10121 N4 C A 475 91.175 74.668 24.423 0.00 0.00 N ATOM 10122 C5 C A 475 91.543 76.936 23.898 0.00 0.00 C ATOM 10123 C6 C A 475 91.249 78.228 24.179 0.00 0.00 C ATOM 10124 P U A 476 93.601 82.560 27.251 0.00 0.00 P ATOM 10125 O1P U A 476 93.806 83.881 27.884 0.00 0.00 O ATOM 10126 O2P U A 476 94.564 82.051 26.258 0.00 0.00 O ATOM 10127 O5* U A 476 93.437 81.450 28.410 0.00 0.00 O ATOM 10128 C5* U A 476 92.913 81.825 29.670 0.00 0.00 C ATOM 10129 C4* U A 476 92.337 80.652 30.465 0.00 0.00 C ATOM 10130 O4* U A 476 91.513 79.806 29.661 0.00 0.00 O ATOM 10131 C3* U A 476 93.338 79.714 31.130 0.00 0.00 C ATOM 10132 O3* U A 476 93.993 80.249 32.267 0.00 0.00 O ATOM 10133 C2* U A 476 92.364 78.590 31.496 0.00 0.00 C ATOM 10134 O2* U A 476 91.486 78.911 32.569 0.00 0.00 O ATOM 10135 C1* U A 476 91.491 78.506 30.246 0.00 0.00 C ATOM 10136 N1 U A 476 91.961 77.414 29.344 0.00 0.00 N ATOM 10137 C2 U A 476 91.761 76.099 29.781 0.00 0.00 C ATOM 10138 O2 U A 476 91.270 75.815 30.869 0.00 0.00 O ATOM 10139 N3 U A 476 92.137 75.091 28.921 0.00 0.00 N ATOM 10140 C4 U A 476 92.677 75.253 27.669 0.00 0.00 C ATOM 10141 O4 U A 476 92.946 74.261 27.003 0.00 0.00 O ATOM 10142 C5 U A 476 92.885 76.638 27.290 0.00 0.00 C ATOM 10143 C6 U A 476 92.541 77.661 28.118 0.00 0.00 C ATOM 10144 P C A 477 95.271 79.507 32.902 0.00 0.00 P ATOM 10145 O1P C A 477 95.713 80.277 34.081 0.00 0.00 O ATOM 10146 O2P C A 477 96.210 79.225 31.797 0.00 0.00 O ATOM 10147 O5* C A 477 94.696 78.092 33.403 0.00 0.00 O ATOM 10148 C5* C A 477 93.924 77.941 34.582 0.00 0.00 C ATOM 10149 C4* C A 477 93.622 76.449 34.804 0.00 0.00 C ATOM 10150 O4* C A 477 92.970 75.836 33.688 0.00 0.00 O ATOM 10151 C3* C A 477 94.895 75.643 35.032 0.00 0.00 C ATOM 10152 O3* C A 477 95.406 75.801 36.343 0.00 0.00 O ATOM 10153 C2* C A 477 94.397 74.235 34.697 0.00 0.00 C ATOM 10154 O2* C A 477 93.597 73.631 35.696 0.00 0.00 O ATOM 10155 C1* C A 477 93.461 74.498 33.527 0.00 0.00 C ATOM 10156 N1 C A 477 94.174 74.271 32.233 0.00 0.00 N ATOM 10157 C2 C A 477 94.405 72.955 31.787 0.00 0.00 C ATOM 10158 O2 C A 477 94.168 71.972 32.497 0.00 0.00 O ATOM 10159 N3 C A 477 94.895 72.743 30.536 0.00 0.00 N ATOM 10160 C4 C A 477 95.185 73.787 29.768 0.00 0.00 C ATOM 10161 N4 C A 477 95.541 73.544 28.531 0.00 0.00 N ATOM 10162 C5 C A 477 95.080 75.134 30.220 0.00 0.00 C ATOM 10163 C6 C A 477 94.587 75.332 31.465 0.00 0.00 C ATOM 10164 P A A 478 96.919 75.396 36.694 0.00 0.00 P ATOM 10165 O1P A A 478 97.227 75.866 38.060 0.00 0.00 O ATOM 10166 O2P A A 478 97.779 75.770 35.554 0.00 0.00 O ATOM 10167 O5* A A 478 96.809 73.799 36.714 0.00 0.00 O ATOM 10168 C5* A A 478 96.169 73.127 37.777 0.00 0.00 C ATOM 10169 C4* A A 478 96.107 71.630 37.477 0.00 0.00 C ATOM 10170 O4* A A 478 95.481 71.362 36.220 0.00 0.00 O ATOM 10171 C3* A A 478 97.484 70.985 37.393 0.00 0.00 C ATOM 10172 O3* A A 478 98.102 70.779 38.647 0.00 0.00 O ATOM 10173 C2* A A 478 97.113 69.698 36.654 0.00 0.00 C ATOM 10174 O2* A A 478 96.358 68.769 37.425 0.00 0.00 O ATOM 10175 C1* A A 478 96.175 70.274 35.601 0.00 0.00 C ATOM 10176 N9 A A 478 96.940 70.704 34.399 0.00 0.00 N ATOM 10177 C8 A A 478 97.222 71.972 33.948 0.00 0.00 C ATOM 10178 N7 A A 478 97.637 72.020 32.710 0.00 0.00 N ATOM 10179 C5 A A 478 97.737 70.672 32.352 0.00 0.00 C ATOM 10180 C6 A A 478 98.092 69.976 31.169 0.00 0.00 C ATOM 10181 N6 A A 478 98.329 70.524 29.989 0.00 0.00 N ATOM 10182 N1 A A 478 98.141 68.644 31.166 0.00 0.00 N ATOM 10183 C2 A A 478 97.845 67.992 32.283 0.00 0.00 C ATOM 10184 N3 A A 478 97.447 68.503 33.448 0.00 0.00 N ATOM 10185 C4 A A 478 97.411 69.867 33.414 0.00 0.00 C ATOM 10186 P U A 479 99.685 70.538 38.729 0.00 0.00 P ATOM 10187 O1P U A 479 100.062 70.426 40.152 0.00 0.00 O ATOM 10188 O2P U A 479 100.345 71.522 37.847 0.00 0.00 O ATOM 10189 O5* U A 479 99.830 69.101 38.034 0.00 0.00 O ATOM 10190 C5* U A 479 99.382 67.919 38.667 0.00 0.00 C ATOM 10191 C4* U A 479 99.705 66.717 37.777 0.00 0.00 C ATOM 10192 O4* U A 479 99.145 66.837 36.471 0.00 0.00 O ATOM 10193 C3* U A 479 101.205 66.569 37.574 0.00 0.00 C ATOM 10194 O3* U A 479 101.840 66.008 38.705 0.00 0.00 O ATOM 10195 C2* U A 479 101.232 65.686 36.330 0.00 0.00 C ATOM 10196 O2* U A 479 100.946 64.316 36.576 0.00 0.00 O ATOM 10197 C1* U A 479 100.054 66.253 35.536 0.00 0.00 C ATOM 10198 N1 U A 479 100.531 67.204 34.494 0.00 0.00 N ATOM 10199 C2 U A 479 101.023 66.652 33.306 0.00 0.00 C ATOM 10200 O2 U A 479 101.282 65.455 33.192 0.00 0.00 O ATOM 10201 N3 U A 479 101.248 67.524 32.257 0.00 0.00 N ATOM 10202 C4 U A 479 101.155 68.900 32.329 0.00 0.00 C ATOM 10203 O4 U A 479 101.389 69.591 31.347 0.00 0.00 O ATOM 10204 C5 U A 479 100.789 69.405 33.638 0.00 0.00 C ATOM 10205 C6 U A 479 100.488 68.569 34.665 0.00 0.00 C ATOM 10206 P U A 480 103.376 66.332 39.028 0.00 0.00 P ATOM 10207 O1P U A 480 103.715 65.685 40.311 0.00 0.00 O ATOM 10208 O2P U A 480 103.587 67.781 38.833 0.00 0.00 O ATOM 10209 O5* U A 480 104.133 65.585 37.831 0.00 0.00 O ATOM 10210 C5* U A 480 104.282 64.182 37.777 0.00 0.00 C ATOM 10211 C4* U A 480 104.872 63.798 36.412 0.00 0.00 C ATOM 10212 O4* U A 480 103.980 64.206 35.371 0.00 0.00 O ATOM 10213 C3* U A 480 106.221 64.446 36.083 0.00 0.00 C ATOM 10214 O3* U A 480 107.367 63.818 36.631 0.00 0.00 O ATOM 10215 C2* U A 480 106.206 64.382 34.555 0.00 0.00 C ATOM 10216 O2* U A 480 106.557 63.114 34.006 0.00 0.00 O ATOM 10217 C1* U A 480 104.734 64.647 34.243 0.00 0.00 C ATOM 10218 N1 U A 480 104.547 66.089 33.906 0.00 0.00 N ATOM 10219 C2 U A 480 104.658 66.452 32.556 0.00 0.00 C ATOM 10220 O2 U A 480 104.949 65.657 31.659 0.00 0.00 O ATOM 10221 N3 U A 480 104.480 67.789 32.259 0.00 0.00 N ATOM 10222 C4 U A 480 104.313 68.809 33.170 0.00 0.00 C ATOM 10223 O4 U A 480 104.191 69.965 32.790 0.00 0.00 O ATOM 10224 C5 U A 480 104.302 68.372 34.547 0.00 0.00 C ATOM 10225 C6 U A 480 104.413 67.061 34.877 0.00 0.00 C ATOM 10226 P G A 481 108.133 64.497 37.871 0.00 0.00 P ATOM 10227 O1P G A 481 107.247 64.424 39.044 0.00 0.00 O ATOM 10228 O2P G A 481 108.647 65.810 37.423 0.00 0.00 O ATOM 10229 O5* G A 481 109.370 63.500 38.150 0.00 0.00 O ATOM 10230 C5* G A 481 110.702 63.807 37.789 0.00 0.00 C ATOM 10231 C4* G A 481 110.942 63.584 36.298 0.00 0.00 C ATOM 10232 O4* G A 481 110.394 64.634 35.511 0.00 0.00 O ATOM 10233 C3* G A 481 112.428 63.572 35.960 0.00 0.00 C ATOM 10234 O3* G A 481 113.069 62.328 36.148 0.00 0.00 O ATOM 10235 C2* G A 481 112.355 63.878 34.484 0.00 0.00 C ATOM 10236 O2* G A 481 111.974 62.751 33.702 0.00 0.00 O ATOM 10237 C1* G A 481 111.219 64.850 34.392 0.00 0.00 C ATOM 10238 N9 G A 481 111.635 66.264 34.245 0.00 0.00 N ATOM 10239 C8 G A 481 111.595 67.318 35.120 0.00 0.00 C ATOM 10240 N7 G A 481 111.595 68.488 34.532 0.00 0.00 N ATOM 10241 C5 G A 481 111.663 68.191 33.164 0.00 0.00 C ATOM 10242 C6 G A 481 111.511 68.981 31.960 0.00 0.00 C ATOM 10243 O6 G A 481 111.188 70.155 31.811 0.00 0.00 O ATOM 10244 N1 G A 481 111.684 68.242 30.794 0.00 0.00 N ATOM 10245 C2 G A 481 111.809 66.878 30.798 0.00 0.00 C ATOM 10246 N2 G A 481 111.780 66.213 29.679 0.00 0.00 N ATOM 10247 N3 G A 481 111.848 66.109 31.868 0.00 0.00 N ATOM 10248 C4 G A 481 111.793 66.829 33.016 0.00 0.00 C ATOM 10249 P A A 482 113.859 62.024 37.497 0.00 0.00 P ATOM 10250 O1P A A 482 112.993 61.163 38.327 0.00 0.00 O ATOM 10251 O2P A A 482 114.402 63.299 38.010 0.00 0.00 O ATOM 10252 O5* A A 482 115.034 61.153 36.854 0.00 0.00 O ATOM 10253 C5* A A 482 115.019 59.737 36.886 0.00 0.00 C ATOM 10254 C4* A A 482 116.106 59.146 35.977 0.00 0.00 C ATOM 10255 O4* A A 482 115.618 59.027 34.642 0.00 0.00 O ATOM 10256 C3* A A 482 117.405 59.966 35.954 0.00 0.00 C ATOM 10257 O3* A A 482 118.329 59.539 36.944 0.00 0.00 O ATOM 10258 C2* A A 482 117.878 59.741 34.514 0.00 0.00 C ATOM 10259 O2* A A 482 118.596 58.534 34.288 0.00 0.00 O ATOM 10260 C1* A A 482 116.560 59.606 33.753 0.00 0.00 C ATOM 10261 N9 A A 482 116.039 60.905 33.283 0.00 0.00 N ATOM 10262 C8 A A 482 114.856 61.513 33.599 0.00 0.00 C ATOM 10263 N7 A A 482 114.600 62.594 32.911 0.00 0.00 N ATOM 10264 C5 A A 482 115.783 62.796 32.198 0.00 0.00 C ATOM 10265 C6 A A 482 116.298 63.842 31.396 0.00 0.00 C ATOM 10266 N6 A A 482 115.693 64.984 31.100 0.00 0.00 N ATOM 10267 N1 A A 482 117.522 63.735 30.889 0.00 0.00 N ATOM 10268 C2 A A 482 118.222 62.630 31.117 0.00 0.00 C ATOM 10269 N3 A A 482 117.868 61.568 31.824 0.00 0.00 N ATOM 10270 C4 A A 482 116.641 61.740 32.381 0.00 0.00 C ATOM 10271 P C A 483 119.289 60.569 37.737 0.00 0.00 P ATOM 10272 O1P C A 483 120.247 59.782 38.537 0.00 0.00 O ATOM 10273 O2P C A 483 118.474 61.640 38.362 0.00 0.00 O ATOM 10274 O5* C A 483 120.120 61.284 36.575 0.00 0.00 O ATOM 10275 C5* C A 483 121.009 60.636 35.699 0.00 0.00 C ATOM 10276 C4* C A 483 121.379 61.640 34.587 0.00 0.00 C ATOM 10277 O4* C A 483 120.250 62.068 33.827 0.00 0.00 O ATOM 10278 C3* C A 483 122.006 62.911 35.151 0.00 0.00 C ATOM 10279 O3* C A 483 123.379 62.728 35.495 0.00 0.00 O ATOM 10280 C2* C A 483 121.711 63.914 34.035 0.00 0.00 C ATOM 10281 O2* C A 483 122.593 63.799 32.927 0.00 0.00 O ATOM 10282 C1* C A 483 120.330 63.468 33.550 0.00 0.00 C ATOM 10283 N1 C A 483 119.189 64.231 34.157 0.00 0.00 N ATOM 10284 C2 C A 483 118.694 65.373 33.495 0.00 0.00 C ATOM 10285 O2 C A 483 119.221 65.805 32.465 0.00 0.00 O ATOM 10286 N3 C A 483 117.589 66.012 33.974 0.00 0.00 N ATOM 10287 C4 C A 483 117.000 65.554 35.072 0.00 0.00 C ATOM 10288 N4 C A 483 115.934 66.182 35.504 0.00 0.00 N ATOM 10289 C5 C A 483 117.460 64.412 35.774 0.00 0.00 C ATOM 10290 C6 C A 483 118.552 63.780 35.292 0.00 0.00 C ATOM 10291 P G A 484 124.144 63.844 36.375 0.00 0.00 P ATOM 10292 O1P G A 484 124.199 65.108 35.609 0.00 0.00 O ATOM 10293 O2P G A 484 125.402 63.238 36.871 0.00 0.00 O ATOM 10294 O5* G A 484 123.096 64.033 37.589 0.00 0.00 O ATOM 10295 C5* G A 484 123.482 64.132 38.947 0.00 0.00 C ATOM 10296 C4* G A 484 122.291 64.519 39.844 0.00 0.00 C ATOM 10297 O4* G A 484 121.849 65.827 39.487 0.00 0.00 O ATOM 10298 C3* G A 484 121.091 63.550 39.743 0.00 0.00 C ATOM 10299 O3* G A 484 120.624 62.985 40.975 0.00 0.00 O ATOM 10300 C2* G A 484 120.085 64.360 38.907 0.00 0.00 C ATOM 10301 O2* G A 484 118.724 64.264 39.246 0.00 0.00 O ATOM 10302 C1* G A 484 120.481 65.807 39.094 0.00 0.00 C ATOM 10303 N9 G A 484 120.253 66.539 37.825 0.00 0.00 N ATOM 10304 C8 G A 484 121.029 66.492 36.697 0.00 0.00 C ATOM 10305 N7 G A 484 120.601 67.232 35.717 0.00 0.00 N ATOM 10306 C5 G A 484 119.441 67.822 36.225 0.00 0.00 C ATOM 10307 C6 G A 484 118.547 68.787 35.647 0.00 0.00 C ATOM 10308 O6 G A 484 118.616 69.347 34.560 0.00 0.00 O ATOM 10309 N1 G A 484 117.472 69.111 36.456 0.00 0.00 N ATOM 10310 C2 G A 484 117.296 68.586 37.705 0.00 0.00 C ATOM 10311 N2 G A 484 116.212 68.937 38.365 0.00 0.00 N ATOM 10312 N3 G A 484 118.126 67.713 38.288 0.00 0.00 N ATOM 10313 C4 G A 484 119.192 67.367 37.502 0.00 0.00 C ATOM 10314 P U A 485 120.310 63.792 42.340 0.00 0.00 P ATOM 10315 O1P U A 485 119.645 62.880 43.294 0.00 0.00 O ATOM 10316 O2P U A 485 119.694 65.093 42.007 0.00 0.00 O ATOM 10317 O5* U A 485 121.802 64.041 42.920 0.00 0.00 O ATOM 10318 C5* U A 485 122.087 64.981 43.942 0.00 0.00 C ATOM 10319 C4* U A 485 121.880 66.413 43.441 0.00 0.00 C ATOM 10320 O4* U A 485 120.701 66.962 43.995 0.00 0.00 O ATOM 10321 C3* U A 485 122.942 67.438 43.820 0.00 0.00 C ATOM 10322 O3* U A 485 124.121 67.270 43.052 0.00 0.00 O ATOM 10323 C2* U A 485 122.159 68.742 43.580 0.00 0.00 C ATOM 10324 O2* U A 485 122.400 69.314 42.312 0.00 0.00 O ATOM 10325 C1* U A 485 120.694 68.310 43.590 0.00 0.00 C ATOM 10326 N1 U A 485 119.851 69.151 44.467 0.00 0.00 N ATOM 10327 C2 U A 485 119.008 70.095 43.873 0.00 0.00 C ATOM 10328 O2 U A 485 119.030 70.344 42.671 0.00 0.00 O ATOM 10329 N3 U A 485 118.131 70.762 44.708 0.00 0.00 N ATOM 10330 C4 U A 485 118.065 70.598 46.078 0.00 0.00 C ATOM 10331 O4 U A 485 117.203 71.181 46.715 0.00 0.00 O ATOM 10332 C5 U A 485 119.042 69.681 46.631 0.00 0.00 C ATOM 10333 C6 U A 485 119.893 68.992 45.830 0.00 0.00 C ATOM 10334 P U A 486 125.344 68.321 43.085 0.00 0.00 P ATOM 10335 O1P U A 486 126.528 67.607 43.607 0.00 0.00 O ATOM 10336 O2P U A 486 124.917 69.606 43.692 0.00 0.00 O ATOM 10337 O5* U A 486 125.531 68.533 41.498 0.00 0.00 O ATOM 10338 C5* U A 486 126.303 67.617 40.743 0.00 0.00 C ATOM 10339 C4* U A 486 126.079 67.756 39.235 0.00 0.00 C ATOM 10340 O4* U A 486 124.776 67.336 38.856 0.00 0.00 O ATOM 10341 C3* U A 486 126.253 69.169 38.698 0.00 0.00 C ATOM 10342 O3* U A 486 127.618 69.523 38.544 0.00 0.00 O ATOM 10343 C2* U A 486 125.504 69.015 37.370 0.00 0.00 C ATOM 10344 O2* U A 486 126.250 68.297 36.389 0.00 0.00 O ATOM 10345 C1* U A 486 124.310 68.130 37.765 0.00 0.00 C ATOM 10346 N1 U A 486 123.072 68.903 38.106 0.00 0.00 N ATOM 10347 C2 U A 486 122.445 69.659 37.101 0.00 0.00 C ATOM 10348 O2 U A 486 122.901 69.822 35.969 0.00 0.00 O ATOM 10349 N3 U A 486 121.246 70.257 37.434 0.00 0.00 N ATOM 10350 C4 U A 486 120.586 70.165 38.634 0.00 0.00 C ATOM 10351 O4 U A 486 119.528 70.751 38.816 0.00 0.00 O ATOM 10352 C5 U A 486 121.253 69.336 39.597 0.00 0.00 C ATOM 10353 C6 U A 486 122.456 68.761 39.333 0.00 0.00 C ATOM 10354 P A A 487 128.077 71.064 38.528 0.00 0.00 P ATOM 10355 O1P A A 487 129.534 71.104 38.271 0.00 0.00 O ATOM 10356 O2P A A 487 127.505 71.751 39.706 0.00 0.00 O ATOM 10357 O5* A A 487 127.331 71.667 37.246 0.00 0.00 O ATOM 10358 C5* A A 487 127.756 71.397 35.927 0.00 0.00 C ATOM 10359 C4* A A 487 126.965 72.290 34.971 0.00 0.00 C ATOM 10360 O4* A A 487 125.570 72.002 35.050 0.00 0.00 O ATOM 10361 C3* A A 487 127.152 73.779 35.268 0.00 0.00 C ATOM 10362 O3* A A 487 128.345 74.298 34.685 0.00 0.00 O ATOM 10363 C2* A A 487 125.860 74.305 34.627 0.00 0.00 C ATOM 10364 O2* A A 487 125.923 74.358 33.202 0.00 0.00 O ATOM 10365 C1* A A 487 124.840 73.220 34.983 0.00 0.00 C ATOM 10366 N9 A A 487 124.110 73.483 36.251 0.00 0.00 N ATOM 10367 C8 A A 487 124.214 72.862 37.475 0.00 0.00 C ATOM 10368 N7 A A 487 123.341 73.261 38.367 0.00 0.00 N ATOM 10369 C5 A A 487 122.608 74.234 37.675 0.00 0.00 C ATOM 10370 C6 A A 487 121.523 75.085 38.003 0.00 0.00 C ATOM 10371 N6 A A 487 120.927 75.124 39.183 0.00 0.00 N ATOM 10372 N1 A A 487 121.020 75.927 37.093 0.00 0.00 N ATOM 10373 C2 A A 487 121.567 75.941 35.884 0.00 0.00 C ATOM 10374 N3 A A 487 122.587 75.214 35.436 0.00 0.00 N ATOM 10375 C4 A A 487 123.067 74.369 36.391 0.00 0.00 C ATOM 10376 P C A 488 129.153 75.561 35.287 0.00 0.00 P ATOM 10377 O1P C A 488 130.129 76.008 34.275 0.00 0.00 O ATOM 10378 O2P C A 488 129.650 75.230 36.643 0.00 0.00 O ATOM 10379 O5* C A 488 128.091 76.744 35.525 0.00 0.00 O ATOM 10380 C5* C A 488 127.460 77.457 34.477 0.00 0.00 C ATOM 10381 C4* C A 488 126.263 78.279 35.006 0.00 0.00 C ATOM 10382 O4* C A 488 125.169 77.466 35.432 0.00 0.00 O ATOM 10383 C3* C A 488 126.600 79.179 36.192 0.00 0.00 C ATOM 10384 O3* C A 488 127.244 80.371 35.765 0.00 0.00 O ATOM 10385 C2* C A 488 125.203 79.364 36.805 0.00 0.00 C ATOM 10386 O2* C A 488 124.380 80.249 36.059 0.00 0.00 O ATOM 10387 C1* C A 488 124.603 77.968 36.644 0.00 0.00 C ATOM 10388 N1 C A 488 124.886 77.074 37.813 0.00 0.00 N ATOM 10389 C2 C A 488 124.113 77.185 38.987 0.00 0.00 C ATOM 10390 O2 C A 488 123.239 78.045 39.122 0.00 0.00 O ATOM 10391 N3 C A 488 124.336 76.330 40.024 0.00 0.00 N ATOM 10392 C4 C A 488 125.273 75.394 39.909 0.00 0.00 C ATOM 10393 N4 C A 488 125.514 74.623 40.940 0.00 0.00 N ATOM 10394 C5 C A 488 126.091 75.260 38.756 0.00 0.00 C ATOM 10395 C6 C A 488 125.862 76.109 37.732 0.00 0.00 C ATOM 10396 P C A 489 128.173 81.225 36.747 0.00 0.00 P ATOM 10397 O1P C A 489 128.822 82.270 35.919 0.00 0.00 O ATOM 10398 O2P C A 489 129.009 80.269 37.513 0.00 0.00 O ATOM 10399 O5* C A 489 127.126 81.921 37.749 0.00 0.00 O ATOM 10400 C5* C A 489 126.094 82.799 37.319 0.00 0.00 C ATOM 10401 C4* C A 489 125.104 83.115 38.459 0.00 0.00 C ATOM 10402 O4* C A 489 124.395 81.983 38.960 0.00 0.00 O ATOM 10403 C3* C A 489 125.783 83.817 39.626 0.00 0.00 C ATOM 10404 O3* C A 489 125.857 85.185 39.242 0.00 0.00 O ATOM 10405 C2* C A 489 124.859 83.417 40.794 0.00 0.00 C ATOM 10406 O2* C A 489 123.701 84.216 40.920 0.00 0.00 O ATOM 10407 C1* C A 489 124.326 82.045 40.390 0.00 0.00 C ATOM 10408 N1 C A 489 125.062 80.900 41.010 0.00 0.00 N ATOM 10409 C2 C A 489 124.701 80.422 42.287 0.00 0.00 C ATOM 10410 O2 C A 489 123.939 81.042 43.036 0.00 0.00 O ATOM 10411 N3 C A 489 125.202 79.229 42.721 0.00 0.00 N ATOM 10412 C4 C A 489 126.000 78.525 41.921 0.00 0.00 C ATOM 10413 N4 C A 489 126.406 77.347 42.331 0.00 0.00 N ATOM 10414 C5 C A 489 126.428 78.990 40.649 0.00 0.00 C ATOM 10415 C6 C A 489 125.968 80.197 40.255 0.00 0.00 C ATOM 10416 P C A 490 126.594 86.302 40.108 0.00 0.00 P ATOM 10417 O1P C A 490 126.710 87.540 39.317 0.00 0.00 O ATOM 10418 O2P C A 490 127.784 85.714 40.756 0.00 0.00 O ATOM 10419 O5* C A 490 125.439 86.501 41.198 0.00 0.00 O ATOM 10420 C5* C A 490 125.354 87.659 42.007 0.00 0.00 C ATOM 10421 C4* C A 490 124.744 87.290 43.373 0.00 0.00 C ATOM 10422 O4* C A 490 124.417 85.896 43.464 0.00 0.00 O ATOM 10423 C3* C A 490 125.698 87.596 44.533 0.00 0.00 C ATOM 10424 O3* C A 490 125.647 88.966 44.924 0.00 0.00 O ATOM 10425 C2* C A 490 125.191 86.575 45.567 0.00 0.00 C ATOM 10426 O2* C A 490 123.972 86.955 46.182 0.00 0.00 O ATOM 10427 C1* C A 490 124.868 85.355 44.703 0.00 0.00 C ATOM 10428 N1 C A 490 126.033 84.426 44.531 0.00 0.00 N ATOM 10429 C2 C A 490 126.214 83.351 45.421 0.00 0.00 C ATOM 10430 O2 C A 490 125.476 83.203 46.396 0.00 0.00 O ATOM 10431 N3 C A 490 127.228 82.453 45.235 0.00 0.00 N ATOM 10432 C4 C A 490 128.041 82.616 44.193 0.00 0.00 C ATOM 10433 N4 C A 490 129.042 81.777 44.031 0.00 0.00 N ATOM 10434 C5 C A 490 127.897 83.688 43.269 0.00 0.00 C ATOM 10435 C6 C A 490 126.901 84.578 43.484 0.00 0.00 C ATOM 10436 P G A 491 126.827 89.664 45.780 0.00 0.00 P ATOM 10437 O1P G A 491 126.462 91.076 46.034 0.00 0.00 O ATOM 10438 O2P G A 491 128.128 89.378 45.124 0.00 0.00 O ATOM 10439 O5* G A 491 126.747 88.855 47.174 0.00 0.00 O ATOM 10440 C5* G A 491 125.693 89.083 48.104 0.00 0.00 C ATOM 10441 C4* G A 491 125.762 88.110 49.288 0.00 0.00 C ATOM 10442 O4* G A 491 125.609 86.761 48.853 0.00 0.00 O ATOM 10443 C3* G A 491 127.077 88.180 50.060 0.00 0.00 C ATOM 10444 O3* G A 491 127.138 89.265 50.970 0.00 0.00 O ATOM 10445 C2* G A 491 127.068 86.808 50.739 0.00 0.00 C ATOM 10446 O2* G A 491 126.200 86.708 51.859 0.00 0.00 O ATOM 10447 C1* G A 491 126.472 85.939 49.633 0.00 0.00 C ATOM 10448 N9 G A 491 127.551 85.338 48.814 0.00 0.00 N ATOM 10449 C8 G A 491 128.073 85.719 47.604 0.00 0.00 C ATOM 10450 N7 G A 491 128.999 84.921 47.143 0.00 0.00 N ATOM 10451 C5 G A 491 129.169 83.980 48.166 0.00 0.00 C ATOM 10452 C6 G A 491 130.109 82.900 48.337 0.00 0.00 C ATOM 10453 O6 G A 491 130.956 82.466 47.560 0.00 0.00 O ATOM 10454 N1 G A 491 130.053 82.324 49.597 0.00 0.00 N ATOM 10455 C2 G A 491 129.172 82.714 50.569 0.00 0.00 C ATOM 10456 N2 G A 491 129.307 82.219 51.774 0.00 0.00 N ATOM 10457 N3 G A 491 128.249 83.659 50.423 0.00 0.00 N ATOM 10458 C4 G A 491 128.309 84.265 49.204 0.00 0.00 C ATOM 10459 P C A 492 128.551 89.857 51.449 0.00 0.00 P ATOM 10460 O1P C A 492 128.274 91.020 52.317 0.00 0.00 O ATOM 10461 O2P C A 492 129.385 90.026 50.239 0.00 0.00 O ATOM 10462 O5* C A 492 129.182 88.665 52.341 0.00 0.00 O ATOM 10463 C5* C A 492 128.679 88.334 53.625 0.00 0.00 C ATOM 10464 C4* C A 492 129.400 87.110 54.222 0.00 0.00 C ATOM 10465 O4* C A 492 129.357 85.969 53.361 0.00 0.00 O ATOM 10466 C3* C A 492 130.867 87.374 54.549 0.00 0.00 C ATOM 10467 O3* C A 492 131.014 87.989 55.818 0.00 0.00 O ATOM 10468 C2* C A 492 131.437 85.951 54.505 0.00 0.00 C ATOM 10469 O2* C A 492 131.168 85.185 55.671 0.00 0.00 O ATOM 10470 C1* C A 492 130.622 85.300 53.389 0.00 0.00 C ATOM 10471 N1 C A 492 131.314 85.327 52.064 0.00 0.00 N ATOM 10472 C2 C A 492 132.350 84.407 51.815 0.00 0.00 C ATOM 10473 O2 C A 492 132.838 83.711 52.712 0.00 0.00 O ATOM 10474 N3 C A 492 132.834 84.259 50.554 0.00 0.00 N ATOM 10475 C4 C A 492 132.328 84.999 49.575 0.00 0.00 C ATOM 10476 N4 C A 492 132.796 84.786 48.371 0.00 0.00 N ATOM 10477 C5 C A 492 131.303 85.965 49.778 0.00 0.00 C ATOM 10478 C6 C A 492 130.846 86.119 51.041 0.00 0.00 C ATOM 10479 P A A 493 132.268 88.933 56.151 0.00 0.00 P ATOM 10480 O1P A A 493 132.144 89.351 57.565 0.00 0.00 O ATOM 10481 O2P A A 493 132.362 89.944 55.081 0.00 0.00 O ATOM 10482 O5* A A 493 133.533 87.938 56.023 0.00 0.00 O ATOM 10483 C5* A A 493 133.907 87.114 57.112 0.00 0.00 C ATOM 10484 C4* A A 493 135.019 86.124 56.755 0.00 0.00 C ATOM 10485 O4* A A 493 134.575 85.279 55.702 0.00 0.00 O ATOM 10486 C3* A A 493 136.360 86.722 56.317 0.00 0.00 C ATOM 10487 O3* A A 493 137.202 87.129 57.380 0.00 0.00 O ATOM 10488 C2* A A 493 136.943 85.512 55.583 0.00 0.00 C ATOM 10489 O2* A A 493 137.403 84.466 56.432 0.00 0.00 O ATOM 10490 C1* A A 493 135.693 85.000 54.882 0.00 0.00 C ATOM 10491 N9 A A 493 135.562 85.620 53.552 0.00 0.00 N ATOM 10492 C8 A A 493 134.707 86.576 53.059 0.00 0.00 C ATOM 10493 N7 A A 493 134.690 86.643 51.753 0.00 0.00 N ATOM 10494 C5 A A 493 135.681 85.733 51.376 0.00 0.00 C ATOM 10495 C6 A A 493 136.216 85.263 50.159 0.00 0.00 C ATOM 10496 N6 A A 493 135.845 85.591 48.937 0.00 0.00 N ATOM 10497 N1 A A 493 137.193 84.367 50.172 0.00 0.00 N ATOM 10498 C2 A A 493 137.694 83.954 51.323 0.00 0.00 C ATOM 10499 N3 A A 493 137.293 84.286 52.534 0.00 0.00 N ATOM 10500 C4 A A 493 136.267 85.177 52.480 0.00 0.00 C ATOM 10501 P G A 494 138.368 88.216 57.150 0.00 0.00 P ATOM 10502 O1P G A 494 139.143 88.326 58.403 0.00 0.00 O ATOM 10503 O2P G A 494 137.735 89.411 56.562 0.00 0.00 O ATOM 10504 O5* G A 494 139.322 87.572 56.014 0.00 0.00 O ATOM 10505 C5* G A 494 140.312 86.600 56.300 0.00 0.00 C ATOM 10506 C4* G A 494 141.085 86.194 55.030 0.00 0.00 C ATOM 10507 O4* G A 494 140.240 85.610 54.038 0.00 0.00 O ATOM 10508 C3* G A 494 141.807 87.353 54.346 0.00 0.00 C ATOM 10509 O3* G A 494 143.007 87.710 55.009 0.00 0.00 O ATOM 10510 C2* G A 494 141.969 86.796 52.922 0.00 0.00 C ATOM 10511 O2* G A 494 142.947 85.774 52.758 0.00 0.00 O ATOM 10512 C1* G A 494 140.629 86.089 52.748 0.00 0.00 C ATOM 10513 N9 G A 494 139.592 86.994 52.193 0.00 0.00 N ATOM 10514 C8 G A 494 138.553 87.594 52.859 0.00 0.00 C ATOM 10515 N7 G A 494 137.673 88.151 52.081 0.00 0.00 N ATOM 10516 C5 G A 494 138.181 87.955 50.800 0.00 0.00 C ATOM 10517 C6 G A 494 137.646 88.317 49.516 0.00 0.00 C ATOM 10518 O6 G A 494 136.570 88.831 49.224 0.00 0.00 O ATOM 10519 N1 G A 494 138.497 88.020 48.475 0.00 0.00 N ATOM 10520 C2 G A 494 139.720 87.446 48.637 0.00 0.00 C ATOM 10521 N2 G A 494 140.401 87.294 47.527 0.00 0.00 N ATOM 10522 N3 G A 494 140.229 87.025 49.803 0.00 0.00 N ATOM 10523 C4 G A 494 139.402 87.311 50.861 0.00 0.00 C ATOM 10524 P A A 495 143.749 89.106 54.708 0.00 0.00 P ATOM 10525 O1P A A 495 144.086 89.750 55.994 0.00 0.00 O ATOM 10526 O2P A A 495 142.985 89.825 53.664 0.00 0.00 O ATOM 10527 O5* A A 495 145.092 88.589 54.021 0.00 0.00 O ATOM 10528 C5* A A 495 146.068 87.875 54.750 0.00 0.00 C ATOM 10529 C4* A A 495 147.016 87.201 53.761 0.00 0.00 C ATOM 10530 O4* A A 495 146.269 86.373 52.882 0.00 0.00 O ATOM 10531 C3* A A 495 147.785 88.200 52.904 0.00 0.00 C ATOM 10532 O3* A A 495 148.941 88.657 53.571 0.00 0.00 O ATOM 10533 C2* A A 495 148.077 87.366 51.659 0.00 0.00 C ATOM 10534 O2* A A 495 149.157 86.450 51.805 0.00 0.00 O ATOM 10535 C1* A A 495 146.793 86.543 51.581 0.00 0.00 C ATOM 10536 N9 A A 495 145.797 87.144 50.669 0.00 0.00 N ATOM 10537 C8 A A 495 144.748 88.019 50.867 0.00 0.00 C ATOM 10538 N7 A A 495 143.963 88.146 49.826 0.00 0.00 N ATOM 10539 C5 A A 495 144.574 87.339 48.864 0.00 0.00 C ATOM 10540 C6 A A 495 144.285 86.950 47.540 0.00 0.00 C ATOM 10541 N6 A A 495 143.275 87.345 46.788 0.00 0.00 N ATOM 10542 N1 A A 495 145.055 86.066 46.911 0.00 0.00 N ATOM 10543 C2 A A 495 146.135 85.603 47.524 0.00 0.00 C ATOM 10544 N3 A A 495 146.546 85.890 48.749 0.00 0.00 N ATOM 10545 C4 A A 495 145.702 86.757 49.368 0.00 0.00 C ATOM 10546 P A A 496 149.519 90.122 53.304 0.00 0.00 P ATOM 10547 O1P A A 496 150.660 90.324 54.221 0.00 0.00 O ATOM 10548 O2P A A 496 148.395 91.079 53.306 0.00 0.00 O ATOM 10549 O5* A A 496 150.098 90.059 51.808 0.00 0.00 O ATOM 10550 C5* A A 496 150.973 91.077 51.367 0.00 0.00 C ATOM 10551 C4* A A 496 151.315 90.927 49.883 0.00 0.00 C ATOM 10552 O4* A A 496 150.170 91.245 49.104 0.00 0.00 O ATOM 10553 C3* A A 496 152.416 91.935 49.497 0.00 0.00 C ATOM 10554 O3* A A 496 153.262 91.491 48.433 0.00 0.00 O ATOM 10555 C2* A A 496 151.550 93.118 49.032 0.00 0.00 C ATOM 10556 O2* A A 496 152.316 94.040 48.278 0.00 0.00 O ATOM 10557 C1* A A 496 150.472 92.345 48.267 0.00 0.00 C ATOM 10558 N9 A A 496 149.203 93.049 47.950 0.00 0.00 N ATOM 10559 C8 A A 496 148.255 93.584 48.791 0.00 0.00 C ATOM 10560 N7 A A 496 147.186 94.040 48.184 0.00 0.00 N ATOM 10561 C5 A A 496 147.434 93.757 46.838 0.00 0.00 C ATOM 10562 C6 A A 496 146.736 93.966 45.621 0.00 0.00 C ATOM 10563 N6 A A 496 145.570 94.579 45.485 0.00 0.00 N ATOM 10564 N1 A A 496 147.267 93.583 44.457 0.00 0.00 N ATOM 10565 C2 A A 496 148.467 93.007 44.481 0.00 0.00 C ATOM 10566 N3 A A 496 149.230 92.749 45.530 0.00 0.00 N ATOM 10567 C4 A A 496 148.659 93.157 46.694 0.00 0.00 C ATOM 10568 P G A 497 154.114 90.126 48.485 0.00 0.00 P ATOM 10569 O1P G A 497 154.077 89.572 49.854 0.00 0.00 O ATOM 10570 O2P G A 497 155.403 90.301 47.775 0.00 0.00 O ATOM 10571 O5* G A 497 153.165 89.246 47.553 0.00 0.00 O ATOM 10572 C5* G A 497 153.535 87.959 47.097 0.00 0.00 C ATOM 10573 C4* G A 497 152.600 87.569 45.946 0.00 0.00 C ATOM 10574 O4* G A 497 151.258 87.694 46.393 0.00 0.00 O ATOM 10575 C3* G A 497 152.744 88.522 44.750 0.00 0.00 C ATOM 10576 O3* G A 497 153.866 88.373 43.857 0.00 0.00 O ATOM 10577 C2* G A 497 151.332 88.539 44.146 0.00 0.00 C ATOM 10578 O2* G A 497 151.129 87.675 43.040 0.00 0.00 O ATOM 10579 C1* G A 497 150.432 88.052 45.300 0.00 0.00 C ATOM 10580 N9 G A 497 149.386 89.021 45.738 0.00 0.00 N ATOM 10581 C8 G A 497 149.004 89.357 47.015 0.00 0.00 C ATOM 10582 N7 G A 497 147.877 90.015 47.093 0.00 0.00 N ATOM 10583 C5 G A 497 147.485 90.169 45.764 0.00 0.00 C ATOM 10584 C6 G A 497 146.289 90.727 45.178 0.00 0.00 C ATOM 10585 O6 G A 497 145.286 91.191 45.720 0.00 0.00 O ATOM 10586 N1 G A 497 146.264 90.644 43.791 0.00 0.00 N ATOM 10587 C2 G A 497 147.214 89.953 43.087 0.00 0.00 C ATOM 10588 N2 G A 497 146.952 89.582 41.864 0.00 0.00 N ATOM 10589 N3 G A 497 148.315 89.407 43.586 0.00 0.00 N ATOM 10590 C4 G A 497 148.411 89.566 44.935 0.00 0.00 C ATOM 10591 P A A 498 154.613 86.986 43.467 0.00 0.00 P ATOM 10592 O1P A A 498 153.728 85.817 43.623 0.00 0.00 O ATOM 10593 O2P A A 498 155.944 86.989 44.130 0.00 0.00 O ATOM 10594 O5* A A 498 154.927 87.171 41.905 0.00 0.00 O ATOM 10595 C5* A A 498 153.928 87.018 40.913 0.00 0.00 C ATOM 10596 C4* A A 498 154.607 86.548 39.624 0.00 0.00 C ATOM 10597 O4* A A 498 153.665 85.884 38.794 0.00 0.00 O ATOM 10598 C3* A A 498 155.223 87.649 38.760 0.00 0.00 C ATOM 10599 O3* A A 498 156.479 88.121 39.237 0.00 0.00 O ATOM 10600 C2* A A 498 155.330 86.883 37.437 0.00 0.00 C ATOM 10601 O2* A A 498 156.466 86.032 37.343 0.00 0.00 O ATOM 10602 C1* A A 498 154.144 85.905 37.457 0.00 0.00 C ATOM 10603 N9 A A 498 153.023 86.221 36.546 0.00 0.00 N ATOM 10604 C8 A A 498 151.686 86.045 36.793 0.00 0.00 C ATOM 10605 N7 A A 498 150.907 86.429 35.823 0.00 0.00 N ATOM 10606 C5 A A 498 151.799 86.885 34.856 0.00 0.00 C ATOM 10607 C6 A A 498 151.660 87.531 33.610 0.00 0.00 C ATOM 10608 N6 A A 498 150.531 87.856 33.025 0.00 0.00 N ATOM 10609 N1 A A 498 152.714 87.984 32.960 0.00 0.00 N ATOM 10610 C2 A A 498 153.910 87.673 33.432 0.00 0.00 C ATOM 10611 N3 A A 498 154.214 87.028 34.551 0.00 0.00 N ATOM 10612 C4 A A 498 153.095 86.704 35.258 0.00 0.00 C ATOM 10613 P A A 499 157.165 89.487 38.718 0.00 0.00 P ATOM 10614 O1P A A 499 158.472 89.624 39.392 0.00 0.00 O ATOM 10615 O2P A A 499 156.200 90.604 38.868 0.00 0.00 O ATOM 10616 O5* A A 499 157.423 89.341 37.125 0.00 0.00 O ATOM 10617 C5* A A 499 158.471 88.544 36.584 0.00 0.00 C ATOM 10618 C4* A A 499 158.758 88.861 35.100 0.00 0.00 C ATOM 10619 O4* A A 499 157.581 88.766 34.282 0.00 0.00 O ATOM 10620 C3* A A 499 159.336 90.281 34.920 0.00 0.00 C ATOM 10621 O3* A A 499 160.305 90.382 33.871 0.00 0.00 O ATOM 10622 C2* A A 499 158.046 91.021 34.539 0.00 0.00 C ATOM 10623 O2* A A 499 158.246 92.317 33.991 0.00 0.00 O ATOM 10624 C1* A A 499 157.405 90.005 33.592 0.00 0.00 C ATOM 10625 N9 A A 499 155.971 90.304 33.335 0.00 0.00 N ATOM 10626 C8 A A 499 154.979 90.431 34.271 0.00 0.00 C ATOM 10627 N7 A A 499 153.806 90.714 33.778 0.00 0.00 N ATOM 10628 C5 A A 499 154.016 90.737 32.394 0.00 0.00 C ATOM 10629 C6 A A 499 153.168 90.859 31.258 0.00 0.00 C ATOM 10630 N6 A A 499 151.848 90.973 31.301 0.00 0.00 N ATOM 10631 N1 A A 499 153.682 90.843 30.022 0.00 0.00 N ATOM 10632 C2 A A 499 154.998 90.678 29.910 0.00 0.00 C ATOM 10633 N3 A A 499 155.899 90.483 30.875 0.00 0.00 N ATOM 10634 C4 A A 499 155.342 90.518 32.116 0.00 0.00 C ATOM 10635 P G A 500 161.776 89.697 33.926 0.00 0.00 P ATOM 10636 O1P G A 500 161.823 88.718 35.031 0.00 0.00 O ATOM 10637 O2P G A 500 162.835 90.735 33.820 0.00 0.00 O ATOM 10638 O5* G A 500 161.783 88.908 32.527 0.00 0.00 O ATOM 10639 C5* G A 500 161.036 87.725 32.291 0.00 0.00 C ATOM 10640 C4* G A 500 160.242 87.855 30.988 0.00 0.00 C ATOM 10641 O4* G A 500 159.220 88.831 31.117 0.00 0.00 O ATOM 10642 C3* G A 500 161.088 88.266 29.787 0.00 0.00 C ATOM 10643 O3* G A 500 161.842 87.160 29.294 0.00 0.00 O ATOM 10644 C2* G A 500 159.981 88.804 28.863 0.00 0.00 C ATOM 10645 O2* G A 500 159.283 87.779 28.175 0.00 0.00 O ATOM 10646 C1* G A 500 159.007 89.457 29.858 0.00 0.00 C ATOM 10647 N9 G A 500 159.207 90.926 29.960 0.00 0.00 N ATOM 10648 C8 G A 500 159.947 91.634 30.874 0.00 0.00 C ATOM 10649 N7 G A 500 159.883 92.930 30.733 0.00 0.00 N ATOM 10650 C5 G A 500 159.043 93.107 29.631 0.00 0.00 C ATOM 10651 C6 G A 500 158.600 94.306 28.967 0.00 0.00 C ATOM 10652 O6 G A 500 158.823 95.485 29.243 0.00 0.00 O ATOM 10653 N1 G A 500 157.832 94.045 27.848 0.00 0.00 N ATOM 10654 C2 G A 500 157.487 92.788 27.432 0.00 0.00 C ATOM 10655 N2 G A 500 156.787 92.708 26.322 0.00 0.00 N ATOM 10656 N3 G A 500 157.856 91.654 28.040 0.00 0.00 N ATOM 10657 C4 G A 500 158.643 91.880 29.137 0.00 0.00 C ATOM 10658 P C A 501 163.215 87.353 28.488 0.00 0.00 P ATOM 10659 O1P C A 501 163.719 86.035 28.030 0.00 0.00 O ATOM 10660 O2P C A 501 164.126 88.206 29.296 0.00 0.00 O ATOM 10661 O5* C A 501 162.760 88.130 27.170 0.00 0.00 O ATOM 10662 C5* C A 501 162.093 87.444 26.118 0.00 0.00 C ATOM 10663 C4* C A 501 161.660 88.403 25.006 0.00 0.00 C ATOM 10664 O4* C A 501 160.570 89.231 25.424 0.00 0.00 O ATOM 10665 C3* C A 501 162.770 89.348 24.538 0.00 0.00 C ATOM 10666 O3* C A 501 163.755 88.726 23.725 0.00 0.00 O ATOM 10667 C2* C A 501 161.892 90.408 23.856 0.00 0.00 C ATOM 10668 O2* C A 501 161.342 90.014 22.611 0.00 0.00 O ATOM 10669 C1* C A 501 160.720 90.517 24.825 0.00 0.00 C ATOM 10670 N1 C A 501 161.007 91.584 25.823 0.00 0.00 N ATOM 10671 C2 C A 501 160.614 92.902 25.539 0.00 0.00 C ATOM 10672 O2 C A 501 159.997 93.191 24.511 0.00 0.00 O ATOM 10673 N3 C A 501 160.919 93.895 26.413 0.00 0.00 N ATOM 10674 C4 C A 501 161.597 93.603 27.517 0.00 0.00 C ATOM 10675 N4 C A 501 161.792 94.574 28.370 0.00 0.00 N ATOM 10676 C5 C A 501 162.034 92.289 27.841 0.00 0.00 C ATOM 10677 C6 C A 501 161.730 91.312 26.960 0.00 0.00 C ATOM 10678 P A A 502 165.212 89.376 23.496 0.00 0.00 P ATOM 10679 O1P A A 502 166.096 88.358 22.902 0.00 0.00 O ATOM 10680 O2P A A 502 165.640 90.087 24.728 0.00 0.00 O ATOM 10681 O5* A A 502 164.903 90.475 22.379 0.00 0.00 O ATOM 10682 C5* A A 502 164.474 90.139 21.077 0.00 0.00 C ATOM 10683 C4* A A 502 163.920 91.379 20.369 0.00 0.00 C ATOM 10684 O4* A A 502 162.814 91.944 21.073 0.00 0.00 O ATOM 10685 C3* A A 502 164.937 92.497 20.180 0.00 0.00 C ATOM 10686 O3* A A 502 165.724 92.246 19.032 0.00 0.00 O ATOM 10687 C2* A A 502 164.009 93.709 20.045 0.00 0.00 C ATOM 10688 O2* A A 502 163.410 93.824 18.760 0.00 0.00 O ATOM 10689 C1* A A 502 162.929 93.367 21.065 0.00 0.00 C ATOM 10690 N9 A A 502 163.300 93.893 22.405 0.00 0.00 N ATOM 10691 C8 A A 502 163.864 93.235 23.473 0.00 0.00 C ATOM 10692 N7 A A 502 163.914 93.924 24.574 0.00 0.00 N ATOM 10693 C5 A A 502 163.438 95.172 24.174 0.00 0.00 C ATOM 10694 C6 A A 502 163.287 96.405 24.834 0.00 0.00 C ATOM 10695 N6 A A 502 163.502 96.533 26.128 0.00 0.00 N ATOM 10696 N1 A A 502 162.924 97.509 24.162 0.00 0.00 N ATOM 10697 C2 A A 502 162.665 97.376 22.864 0.00 0.00 C ATOM 10698 N3 A A 502 162.720 96.269 22.122 0.00 0.00 N ATOM 10699 C4 A A 502 163.121 95.186 22.844 0.00 0.00 C ATOM 10700 P C A 503 167.254 92.691 18.951 0.00 0.00 P ATOM 10701 O1P C A 503 167.724 92.220 17.622 0.00 0.00 O ATOM 10702 O2P C A 503 167.905 92.246 20.201 0.00 0.00 O ATOM 10703 O5* C A 503 167.158 94.301 18.966 0.00 0.00 O ATOM 10704 C5* C A 503 166.679 95.023 17.848 0.00 0.00 C ATOM 10705 C4* C A 503 166.228 96.453 18.190 0.00 0.00 C ATOM 10706 O4* C A 503 165.252 96.494 19.233 0.00 0.00 O ATOM 10707 C3* C A 503 167.320 97.438 18.592 0.00 0.00 C ATOM 10708 O3* C A 503 168.012 97.964 17.474 0.00 0.00 O ATOM 10709 C2* C A 503 166.444 98.493 19.275 0.00 0.00 C ATOM 10710 O2* C A 503 165.611 99.180 18.344 0.00 0.00 O ATOM 10711 C1* C A 503 165.494 97.616 20.086 0.00 0.00 C ATOM 10712 N1 C A 503 166.021 97.222 21.437 0.00 0.00 N ATOM 10713 C2 C A 503 166.027 98.172 22.474 0.00 0.00 C ATOM 10714 O2 C A 503 165.742 99.352 22.269 0.00 0.00 O ATOM 10715 N3 C A 503 166.351 97.804 23.745 0.00 0.00 N ATOM 10716 C4 C A 503 166.630 96.530 23.995 0.00 0.00 C ATOM 10717 N4 C A 503 166.910 96.201 25.235 0.00 0.00 N ATOM 10718 C5 C A 503 166.648 95.529 22.985 0.00 0.00 C ATOM 10719 C6 C A 503 166.361 95.918 21.721 0.00 0.00 C ATOM 10720 P C A 504 169.489 98.571 17.621 0.00 0.00 P ATOM 10721 O1P C A 504 169.966 98.922 16.270 0.00 0.00 O ATOM 10722 O2P C A 504 170.256 97.627 18.460 0.00 0.00 O ATOM 10723 O5* C A 504 169.316 99.923 18.479 0.00 0.00 O ATOM 10724 C5* C A 504 168.885 101.150 17.917 0.00 0.00 C ATOM 10725 C4* C A 504 169.078 102.300 18.925 0.00 0.00 C ATOM 10726 O4* C A 504 168.260 102.093 20.076 0.00 0.00 O ATOM 10727 C3* C A 504 170.508 102.462 19.452 0.00 0.00 C ATOM 10728 O3* C A 504 171.379 103.173 18.583 0.00 0.00 O ATOM 10729 C2* C A 504 170.241 103.180 20.785 0.00 0.00 C ATOM 10730 O2* C A 504 169.917 104.561 20.698 0.00 0.00 O ATOM 10731 C1* C A 504 168.943 102.525 21.249 0.00 0.00 C ATOM 10732 N1 C A 504 169.189 101.398 22.193 0.00 0.00 N ATOM 10733 C2 C A 504 169.410 101.679 23.551 0.00 0.00 C ATOM 10734 O2 C A 504 169.414 102.836 23.993 0.00 0.00 O ATOM 10735 N3 C A 504 169.624 100.653 24.422 0.00 0.00 N ATOM 10736 C4 C A 504 169.599 99.399 23.978 0.00 0.00 C ATOM 10737 N4 C A 504 169.789 98.445 24.855 0.00 0.00 N ATOM 10738 C5 C A 504 169.382 99.069 22.612 0.00 0.00 C ATOM 10739 C6 C A 504 169.182 100.095 21.753 0.00 0.00 C ATOM 10740 P G A 505 172.958 102.844 18.527 0.00 0.00 P ATOM 10741 O1P G A 505 173.117 101.392 18.329 0.00 0.00 O ATOM 10742 O2P G A 505 173.605 103.488 19.703 0.00 0.00 O ATOM 10743 O5* G A 505 173.420 103.561 17.146 0.00 0.00 O ATOM 10744 C5* G A 505 173.927 104.883 17.096 0.00 0.00 C ATOM 10745 C4* G A 505 174.169 105.373 15.660 0.00 0.00 C ATOM 10746 O4* G A 505 174.954 104.453 14.918 0.00 0.00 O ATOM 10747 C3* G A 505 172.903 105.614 14.851 0.00 0.00 C ATOM 10748 O3* G A 505 172.294 106.839 15.220 0.00 0.00 O ATOM 10749 C2* G A 505 173.474 105.597 13.426 0.00 0.00 C ATOM 10750 O2* G A 505 174.089 106.804 12.994 0.00 0.00 O ATOM 10751 C1* G A 505 174.595 104.564 13.549 0.00 0.00 C ATOM 10752 N9 G A 505 174.174 103.266 12.977 0.00 0.00 N ATOM 10753 C8 G A 505 173.970 102.050 13.574 0.00 0.00 C ATOM 10754 N7 G A 505 173.733 101.078 12.731 0.00 0.00 N ATOM 10755 C5 G A 505 173.739 101.699 11.478 0.00 0.00 C ATOM 10756 C6 G A 505 173.592 101.187 10.136 0.00 0.00 C ATOM 10757 O6 G A 505 173.477 100.028 9.728 0.00 0.00 O ATOM 10758 N1 G A 505 173.649 102.183 9.172 0.00 0.00 N ATOM 10759 C2 G A 505 173.865 103.502 9.458 0.00 0.00 C ATOM 10760 N2 G A 505 173.836 104.391 8.496 0.00 0.00 N ATOM 10761 N3 G A 505 174.059 104.001 10.670 0.00 0.00 N ATOM 10762 C4 G A 505 173.981 103.046 11.639 0.00 0.00 C ATOM 10763 P G A 506 170.733 107.106 14.961 0.00 0.00 P ATOM 10764 O1P G A 506 170.382 108.378 15.622 0.00 0.00 O ATOM 10765 O2P G A 506 169.997 105.863 15.274 0.00 0.00 O ATOM 10766 O5* G A 506 170.664 107.321 13.372 0.00 0.00 O ATOM 10767 C5* G A 506 170.935 108.572 12.777 0.00 0.00 C ATOM 10768 C4* G A 506 170.696 108.477 11.269 0.00 0.00 C ATOM 10769 O4* G A 506 171.551 107.501 10.673 0.00 0.00 O ATOM 10770 C3* G A 506 169.258 108.084 10.928 0.00 0.00 C ATOM 10771 O3* G A 506 168.349 109.168 10.997 0.00 0.00 O ATOM 10772 C2* G A 506 169.464 107.519 9.522 0.00 0.00 C ATOM 10773 O2* G A 506 169.718 108.497 8.520 0.00 0.00 O ATOM 10774 C1* G A 506 170.777 106.768 9.729 0.00 0.00 C ATOM 10775 N9 G A 506 170.553 105.364 10.147 0.00 0.00 N ATOM 10776 C8 G A 506 170.592 104.755 11.378 0.00 0.00 C ATOM 10777 N7 G A 506 170.556 103.450 11.324 0.00 0.00 N ATOM 10778 C5 G A 506 170.408 103.168 9.963 0.00 0.00 C ATOM 10779 C6 G A 506 170.288 101.932 9.232 0.00 0.00 C ATOM 10780 O6 G A 506 170.344 100.766 9.620 0.00 0.00 O ATOM 10781 N1 G A 506 170.090 102.129 7.878 0.00 0.00 N ATOM 10782 C2 G A 506 170.010 103.355 7.284 0.00 0.00 C ATOM 10783 N2 G A 506 169.771 103.408 5.997 0.00 0.00 N ATOM 10784 N3 G A 506 170.159 104.512 7.918 0.00 0.00 N ATOM 10785 C4 G A 506 170.348 104.348 9.256 0.00 0.00 C ATOM 10786 P C A 507 166.856 108.961 11.565 0.00 0.00 P ATOM 10787 O1P C A 507 166.218 110.291 11.658 0.00 0.00 O ATOM 10788 O2P C A 507 166.894 108.038 12.726 0.00 0.00 O ATOM 10789 O5* C A 507 166.147 108.144 10.397 0.00 0.00 O ATOM 10790 C5* C A 507 165.762 108.743 9.182 0.00 0.00 C ATOM 10791 C4* C A 507 165.313 107.648 8.214 0.00 0.00 C ATOM 10792 O4* C A 507 166.364 106.703 7.973 0.00 0.00 O ATOM 10793 C3* C A 507 164.131 106.828 8.724 0.00 0.00 C ATOM 10794 O3* C A 507 162.875 107.501 8.661 0.00 0.00 O ATOM 10795 C2* C A 507 164.285 105.596 7.824 0.00 0.00 C ATOM 10796 O2* C A 507 163.903 105.839 6.469 0.00 0.00 O ATOM 10797 C1* C A 507 165.809 105.394 7.822 0.00 0.00 C ATOM 10798 N1 C A 507 166.301 104.437 8.872 0.00 0.00 N ATOM 10799 C2 C A 507 166.431 103.070 8.549 0.00 0.00 C ATOM 10800 O2 C A 507 166.119 102.635 7.436 0.00 0.00 O ATOM 10801 N3 C A 507 166.926 102.194 9.465 0.00 0.00 N ATOM 10802 C4 C A 507 167.290 102.639 10.663 0.00 0.00 C ATOM 10803 N4 C A 507 167.819 101.777 11.498 0.00 0.00 N ATOM 10804 C5 C A 507 167.194 104.010 11.033 0.00 0.00 C ATOM 10805 C6 C A 507 166.697 104.874 10.117 0.00 0.00 C ATOM 10806 P U A 508 161.642 107.012 9.578 0.00 0.00 P ATOM 10807 O1P U A 508 161.401 105.577 9.317 0.00 0.00 O ATOM 10808 O2P U A 508 160.512 107.964 9.477 0.00 0.00 O ATOM 10809 O5* U A 508 162.307 107.140 11.039 0.00 0.00 O ATOM 10810 C5* U A 508 161.600 107.609 12.174 0.00 0.00 C ATOM 10811 C4* U A 508 162.278 107.100 13.452 0.00 0.00 C ATOM 10812 O4* U A 508 162.146 105.677 13.503 0.00 0.00 O ATOM 10813 C3* U A 508 163.768 107.483 13.517 0.00 0.00 C ATOM 10814 O3* U A 508 164.104 107.994 14.799 0.00 0.00 O ATOM 10815 C2* U A 508 164.413 106.130 13.143 0.00 0.00 C ATOM 10816 O2* U A 508 165.642 105.795 13.736 0.00 0.00 O ATOM 10817 C1* U A 508 163.428 105.079 13.610 0.00 0.00 C ATOM 10818 N1 U A 508 163.555 103.826 12.807 0.00 0.00 N ATOM 10819 C2 U A 508 164.028 102.647 13.413 0.00 0.00 C ATOM 10820 O2 U A 508 164.234 102.521 14.622 0.00 0.00 O ATOM 10821 N3 U A 508 164.216 101.551 12.582 0.00 0.00 N ATOM 10822 C4 U A 508 163.849 101.484 11.252 0.00 0.00 C ATOM 10823 O4 U A 508 163.928 100.421 10.654 0.00 0.00 O ATOM 10824 C5 U A 508 163.343 102.723 10.704 0.00 0.00 C ATOM 10825 C6 U A 508 163.224 103.835 11.470 0.00 0.00 C ATOM 10826 P A A 509 163.575 109.438 15.333 0.00 0.00 P ATOM 10827 O1P A A 509 162.749 110.167 14.342 0.00 0.00 O ATOM 10828 O2P A A 509 164.660 110.147 16.029 0.00 0.00 O ATOM 10829 O5* A A 509 162.513 108.948 16.420 0.00 0.00 O ATOM 10830 C5* A A 509 162.059 109.802 17.450 0.00 0.00 C ATOM 10831 C4* A A 509 162.134 109.068 18.787 0.00 0.00 C ATOM 10832 O4* A A 509 161.207 107.985 18.807 0.00 0.00 O ATOM 10833 C3* A A 509 163.504 108.442 19.049 0.00 0.00 C ATOM 10834 O3* A A 509 164.590 109.335 19.264 0.00 0.00 O ATOM 10835 C2* A A 509 163.132 107.365 20.077 0.00 0.00 C ATOM 10836 O2* A A 509 162.765 107.789 21.374 0.00 0.00 O ATOM 10837 C1* A A 509 161.809 106.885 19.483 0.00 0.00 C ATOM 10838 N9 A A 509 162.029 105.742 18.570 0.00 0.00 N ATOM 10839 C8 A A 509 162.299 105.737 17.222 0.00 0.00 C ATOM 10840 N7 A A 509 162.433 104.543 16.714 0.00 0.00 N ATOM 10841 C5 A A 509 162.253 103.696 17.810 0.00 0.00 C ATOM 10842 C6 A A 509 162.274 102.293 17.991 0.00 0.00 C ATOM 10843 N6 A A 509 162.552 101.412 17.041 0.00 0.00 N ATOM 10844 N1 A A 509 162.009 101.763 19.187 0.00 0.00 N ATOM 10845 C2 A A 509 161.786 102.591 20.203 0.00 0.00 C ATOM 10846 N3 A A 509 161.773 103.927 20.200 0.00 0.00 N ATOM 10847 C4 A A 509 162.007 104.420 18.947 0.00 0.00 C ATOM 10848 P A A 510 164.827 110.257 20.552 0.00 0.00 P ATOM 10849 O1P A A 510 163.527 110.603 21.170 0.00 0.00 O ATOM 10850 O2P A A 510 165.770 111.331 20.186 0.00 0.00 O ATOM 10851 O5* A A 510 165.586 109.167 21.455 0.00 0.00 O ATOM 10852 C5* A A 510 165.574 109.222 22.864 0.00 0.00 C ATOM 10853 C4* A A 510 166.081 107.889 23.422 0.00 0.00 C ATOM 10854 O4* A A 510 165.282 106.834 22.870 0.00 0.00 O ATOM 10855 C3* A A 510 167.549 107.547 23.121 0.00 0.00 C ATOM 10856 O3* A A 510 168.538 108.027 24.024 0.00 0.00 O ATOM 10857 C2* A A 510 167.465 106.023 23.238 0.00 0.00 C ATOM 10858 O2* A A 510 167.404 105.593 24.597 0.00 0.00 O ATOM 10859 C1* A A 510 166.105 105.703 22.616 0.00 0.00 C ATOM 10860 N9 A A 510 166.170 105.392 21.160 0.00 0.00 N ATOM 10861 C8 A A 510 166.543 106.190 20.101 0.00 0.00 C ATOM 10862 N7 A A 510 166.466 105.603 18.936 0.00 0.00 N ATOM 10863 C5 A A 510 166.026 104.316 19.238 0.00 0.00 C ATOM 10864 C6 A A 510 165.732 103.165 18.465 0.00 0.00 C ATOM 10865 N6 A A 510 165.804 103.134 17.142 0.00 0.00 N ATOM 10866 N1 A A 510 165.311 102.036 19.056 0.00 0.00 N ATOM 10867 C2 A A 510 165.158 102.065 20.380 0.00 0.00 C ATOM 10868 N3 A A 510 165.386 103.071 21.232 0.00 0.00 N ATOM 10869 C4 A A 510 165.831 104.184 20.587 0.00 0.00 C ATOM 10870 P C A 511 168.970 109.571 24.078 0.00 0.00 P ATOM 10871 O1P C A 511 168.103 110.236 25.075 0.00 0.00 O ATOM 10872 O2P C A 511 169.043 110.071 22.692 0.00 0.00 O ATOM 10873 O5* C A 511 170.476 109.520 24.665 0.00 0.00 O ATOM 10874 C5* C A 511 171.617 109.471 23.814 0.00 0.00 C ATOM 10875 C4* C A 511 172.836 109.095 24.666 0.00 0.00 C ATOM 10876 O4* C A 511 172.664 107.736 25.051 0.00 0.00 O ATOM 10877 C3* C A 511 174.222 109.184 23.997 0.00 0.00 C ATOM 10878 O3* C A 511 175.150 109.545 25.017 0.00 0.00 O ATOM 10879 C2* C A 511 174.442 107.738 23.529 0.00 0.00 C ATOM 10880 O2* C A 511 175.796 107.348 23.340 0.00 0.00 O ATOM 10881 C1* C A 511 173.840 107.028 24.735 0.00 0.00 C ATOM 10882 N1 C A 511 173.532 105.579 24.627 0.00 0.00 N ATOM 10883 C2 C A 511 173.451 104.854 25.824 0.00 0.00 C ATOM 10884 O2 C A 511 173.562 105.414 26.924 0.00 0.00 O ATOM 10885 N3 C A 511 173.273 103.507 25.787 0.00 0.00 N ATOM 10886 C4 C A 511 173.150 102.897 24.610 0.00 0.00 C ATOM 10887 N4 C A 511 172.962 101.600 24.607 0.00 0.00 N ATOM 10888 C5 C A 511 173.186 103.602 23.371 0.00 0.00 C ATOM 10889 C6 C A 511 173.380 104.940 23.418 0.00 0.00 C ATOM 10890 P U A 512 176.253 110.684 24.770 0.00 0.00 P ATOM 10891 O1P U A 512 175.705 111.942 25.337 0.00 0.00 O ATOM 10892 O2P U A 512 176.735 110.617 23.379 0.00 0.00 O ATOM 10893 O5* U A 512 177.440 110.260 25.775 0.00 0.00 O ATOM 10894 C5* U A 512 178.225 109.096 25.625 0.00 0.00 C ATOM 10895 C4* U A 512 178.314 108.468 27.021 0.00 0.00 C ATOM 10896 O4* U A 512 177.142 107.710 27.307 0.00 0.00 O ATOM 10897 C3* U A 512 179.498 107.534 27.223 0.00 0.00 C ATOM 10898 O3* U A 512 180.678 108.258 27.520 0.00 0.00 O ATOM 10899 C2* U A 512 178.981 106.688 28.391 0.00 0.00 C ATOM 10900 O2* U A 512 178.982 107.356 29.648 0.00 0.00 O ATOM 10901 C1* U A 512 177.509 106.528 28.014 0.00 0.00 C ATOM 10902 N1 U A 512 177.248 105.296 27.216 0.00 0.00 N ATOM 10903 C2 U A 512 177.150 104.086 27.912 0.00 0.00 C ATOM 10904 O2 U A 512 177.393 103.970 29.113 0.00 0.00 O ATOM 10905 N3 U A 512 176.764 102.983 27.178 0.00 0.00 N ATOM 10906 C4 U A 512 176.525 102.945 25.825 0.00 0.00 C ATOM 10907 O4 U A 512 176.217 101.885 25.291 0.00 0.00 O ATOM 10908 C5 U A 512 176.706 104.218 25.158 0.00 0.00 C ATOM 10909 C6 U A 512 177.050 105.336 25.850 0.00 0.00 C ATOM 10910 P C A 513 182.119 107.735 27.046 0.00 0.00 P ATOM 10911 O1P C A 513 183.103 108.810 27.280 0.00 0.00 O ATOM 10912 O2P C A 513 181.956 107.155 25.697 0.00 0.00 O ATOM 10913 O5* C A 513 182.434 106.521 28.043 0.00 0.00 O ATOM 10914 C5* C A 513 182.814 106.726 29.391 0.00 0.00 C ATOM 10915 C4* C A 513 182.971 105.377 30.104 0.00 0.00 C ATOM 10916 O4* C A 513 181.723 104.677 30.158 0.00 0.00 O ATOM 10917 C3* C A 513 183.995 104.429 29.457 0.00 0.00 C ATOM 10918 O3* C A 513 185.348 104.723 29.827 0.00 0.00 O ATOM 10919 C2* C A 513 183.477 103.110 30.044 0.00 0.00 C ATOM 10920 O2* C A 513 183.959 102.985 31.376 0.00 0.00 O ATOM 10921 C1* C A 513 181.949 103.271 30.044 0.00 0.00 C ATOM 10922 N1 C A 513 181.285 102.715 28.816 0.00 0.00 N ATOM 10923 C2 C A 513 180.887 101.361 28.767 0.00 0.00 C ATOM 10924 O2 C A 513 181.144 100.557 29.668 0.00 0.00 O ATOM 10925 N3 C A 513 180.188 100.901 27.691 0.00 0.00 N ATOM 10926 C4 C A 513 179.869 101.739 26.708 0.00 0.00 C ATOM 10927 N4 C A 513 179.171 101.277 25.700 0.00 0.00 N ATOM 10928 C5 C A 513 180.253 103.107 26.706 0.00 0.00 C ATOM 10929 C6 C A 513 180.969 103.548 27.766 0.00 0.00 C ATOM 10930 P C A 514 186.620 104.041 29.107 0.00 0.00 P ATOM 10931 O1P C A 514 187.834 104.403 29.880 0.00 0.00 O ATOM 10932 O2P C A 514 186.576 104.435 27.683 0.00 0.00 O ATOM 10933 O5* C A 514 186.399 102.438 29.232 0.00 0.00 O ATOM 10934 C5* C A 514 186.618 101.737 30.455 0.00 0.00 C ATOM 10935 C4* C A 514 186.084 100.288 30.426 0.00 0.00 C ATOM 10936 O4* C A 514 184.695 100.150 30.130 0.00 0.00 O ATOM 10937 C3* C A 514 186.805 99.437 29.398 0.00 0.00 C ATOM 10938 O3* C A 514 188.090 99.075 29.869 0.00 0.00 O ATOM 10939 C2* C A 514 185.824 98.268 29.251 0.00 0.00 C ATOM 10940 O2* C A 514 185.871 97.330 30.320 0.00 0.00 O ATOM 10941 C1* C A 514 184.477 98.986 29.328 0.00 0.00 C ATOM 10942 N1 C A 514 183.945 99.319 27.970 0.00 0.00 N ATOM 10943 C2 C A 514 183.207 98.352 27.265 0.00 0.00 C ATOM 10944 O2 C A 514 183.115 97.185 27.665 0.00 0.00 O ATOM 10945 N3 C A 514 182.589 98.685 26.100 0.00 0.00 N ATOM 10946 C4 C A 514 182.716 99.925 25.631 0.00 0.00 C ATOM 10947 N4 C A 514 182.104 100.223 24.509 0.00 0.00 N ATOM 10948 C5 C A 514 183.511 100.920 26.273 0.00 0.00 C ATOM 10949 C6 C A 514 184.125 100.569 27.426 0.00 0.00 C ATOM 10950 P G A 515 189.265 98.732 28.860 0.00 0.00 P ATOM 10951 O1P G A 515 190.434 98.499 29.737 0.00 0.00 O ATOM 10952 O2P G A 515 189.369 99.896 27.959 0.00 0.00 O ATOM 10953 O5* G A 515 188.818 97.398 28.108 0.00 0.00 O ATOM 10954 C5* G A 515 188.844 96.173 28.810 0.00 0.00 C ATOM 10955 C4* G A 515 188.106 95.062 28.066 0.00 0.00 C ATOM 10956 O4* G A 515 186.747 95.411 27.852 0.00 0.00 O ATOM 10957 C3* G A 515 188.734 94.719 26.721 0.00 0.00 C ATOM 10958 O3* G A 515 189.803 93.803 26.898 0.00 0.00 O ATOM 10959 C2* G A 515 187.528 94.118 25.995 0.00 0.00 C ATOM 10960 O2* G A 515 187.286 92.742 26.293 0.00 0.00 O ATOM 10961 C1* G A 515 186.376 94.956 26.560 0.00 0.00 C ATOM 10962 N9 G A 515 186.048 96.073 25.646 0.00 0.00 N ATOM 10963 C8 G A 515 186.330 97.416 25.709 0.00 0.00 C ATOM 10964 N7 G A 515 185.759 98.122 24.770 0.00 0.00 N ATOM 10965 C5 G A 515 185.097 97.170 23.986 0.00 0.00 C ATOM 10966 C6 G A 515 184.309 97.278 22.786 0.00 0.00 C ATOM 10967 O6 G A 515 183.940 98.279 22.174 0.00 0.00 O ATOM 10968 N1 G A 515 183.943 96.044 22.269 0.00 0.00 N ATOM 10969 C2 G A 515 184.232 94.846 22.861 0.00 0.00 C ATOM 10970 N2 G A 515 183.814 93.741 22.289 0.00 0.00 N ATOM 10971 N3 G A 515 184.906 94.715 23.998 0.00 0.00 N ATOM 10972 C4 G A 515 185.321 95.912 24.500 0.00 0.00 C ATOM 10973 P U A 516 191.069 93.782 25.925 0.00 0.00 P ATOM 10974 O1P U A 516 191.832 92.577 26.364 0.00 0.00 O ATOM 10975 O2P U A 516 191.699 95.115 25.978 0.00 0.00 O ATOM 10976 O5* U A 516 190.442 93.544 24.450 0.00 0.00 O ATOM 10977 C5* U A 516 189.933 92.284 24.058 0.00 0.00 C ATOM 10978 C4* U A 516 189.141 92.326 22.744 0.00 0.00 C ATOM 10979 O4* U A 516 188.058 93.244 22.826 0.00 0.00 O ATOM 10980 C3* U A 516 189.939 92.640 21.474 0.00 0.00 C ATOM 10981 O3* U A 516 190.627 91.478 20.990 0.00 0.00 O ATOM 10982 C2* U A 516 188.743 93.041 20.593 0.00 0.00 C ATOM 10983 O2* U A 516 187.984 91.897 20.215 0.00 0.00 O ATOM 10984 C1* U A 516 187.799 93.790 21.538 0.00 0.00 C ATOM 10985 N1 U A 516 187.895 95.281 21.526 0.00 0.00 N ATOM 10986 C2 U A 516 187.181 95.976 20.537 0.00 0.00 C ATOM 10987 O2 U A 516 186.632 95.422 19.581 0.00 0.00 O ATOM 10988 N3 U A 516 187.079 97.348 20.686 0.00 0.00 N ATOM 10989 C4 U A 516 187.567 98.085 21.741 0.00 0.00 C ATOM 10990 O4 U A 516 187.375 99.296 21.797 0.00 0.00 O ATOM 10991 C5 U A 516 188.298 97.308 22.714 0.00 0.00 C ATOM 10992 C6 U A 516 188.454 95.966 22.585 0.00 0.00 C ATOM 10993 P G A 517 192.105 91.509 20.346 0.00 0.00 P ATOM 10994 O1P G A 517 192.411 90.126 19.905 0.00 0.00 O ATOM 10995 O2P G A 517 193.005 92.078 21.369 0.00 0.00 O ATOM 10996 O5* G A 517 192.107 92.463 19.056 0.00 0.00 O ATOM 10997 C5* G A 517 191.410 92.082 17.882 0.00 0.00 C ATOM 10998 C4* G A 517 191.288 93.203 16.831 0.00 0.00 C ATOM 10999 O4* G A 517 190.695 94.340 17.444 0.00 0.00 O ATOM 11000 C3* G A 517 192.623 93.648 16.219 0.00 0.00 C ATOM 11001 O3* G A 517 192.408 94.160 14.903 0.00 0.00 O ATOM 11002 C2* G A 517 193.011 94.765 17.189 0.00 0.00 C ATOM 11003 O2* G A 517 194.033 95.620 16.696 0.00 0.00 O ATOM 11004 C1* G A 517 191.639 95.401 17.446 0.00 0.00 C ATOM 11005 N9 G A 517 191.563 96.138 18.728 0.00 0.00 N ATOM 11006 C8 G A 517 191.962 95.756 19.985 0.00 0.00 C ATOM 11007 N7 G A 517 191.735 96.643 20.916 0.00 0.00 N ATOM 11008 C5 G A 517 191.100 97.685 20.238 0.00 0.00 C ATOM 11009 C6 G A 517 190.541 98.929 20.707 0.00 0.00 C ATOM 11010 O6 G A 517 190.530 99.428 21.832 0.00 0.00 O ATOM 11011 N1 G A 517 189.893 99.618 19.705 0.00 0.00 N ATOM 11012 C2 G A 517 189.915 99.253 18.403 0.00 0.00 C ATOM 11013 N2 G A 517 189.285 100.097 17.650 0.00 0.00 N ATOM 11014 N3 G A 517 190.462 98.146 17.907 0.00 0.00 N ATOM 11015 C4 G A 517 191.014 97.383 18.892 0.00 0.00 C ATOM 11016 P C A 518 193.081 93.517 13.588 0.00 0.00 P ATOM 11017 O1P C A 518 194.098 92.524 14.008 0.00 0.00 O ATOM 11018 O2P C A 518 193.547 94.623 12.718 0.00 0.00 O ATOM 11019 O5* C A 518 191.900 92.718 12.853 0.00 0.00 O ATOM 11020 C5* C A 518 190.736 93.381 12.389 0.00 0.00 C ATOM 11021 C4* C A 518 190.323 92.870 11.003 0.00 0.00 C ATOM 11022 O4* C A 518 189.252 93.683 10.554 0.00 0.00 O ATOM 11023 C3* C A 518 191.483 93.067 10.021 0.00 0.00 C ATOM 11024 O3* C A 518 192.289 91.937 9.668 0.00 0.00 O ATOM 11025 C2* C A 518 190.914 93.882 8.862 0.00 0.00 C ATOM 11026 O2* C A 518 191.244 93.314 7.606 0.00 0.00 O ATOM 11027 C1* C A 518 189.416 94.013 9.182 0.00 0.00 C ATOM 11028 N1 C A 518 188.934 95.408 8.921 0.00 0.00 N ATOM 11029 C2 C A 518 188.585 95.757 7.611 0.00 0.00 C ATOM 11030 O2 C A 518 188.708 94.918 6.717 0.00 0.00 O ATOM 11031 N3 C A 518 188.184 97.033 7.334 0.00 0.00 N ATOM 11032 C4 C A 518 188.147 97.931 8.307 0.00 0.00 C ATOM 11033 N4 C A 518 187.737 99.135 7.971 0.00 0.00 N ATOM 11034 C5 C A 518 188.572 97.646 9.638 0.00 0.00 C ATOM 11035 C6 C A 518 188.950 96.372 9.904 0.00 0.00 C ATOM 11036 P C A 519 191.842 90.405 9.390 0.00 0.00 P ATOM 11037 O1P C A 519 193.156 89.817 9.030 0.00 0.00 O ATOM 11038 O2P C A 519 190.713 90.292 8.442 0.00 0.00 O ATOM 11039 O5* C A 519 191.522 89.828 10.872 0.00 0.00 O ATOM 11040 C5* C A 519 190.322 89.134 11.220 0.00 0.00 C ATOM 11041 C4* C A 519 190.274 88.884 12.743 0.00 0.00 C ATOM 11042 O4* C A 519 190.083 90.110 13.438 0.00 0.00 O ATOM 11043 C3* C A 519 189.092 88.037 13.215 0.00 0.00 C ATOM 11044 O3* C A 519 189.246 86.634 13.037 0.00 0.00 O ATOM 11045 C2* C A 519 189.004 88.431 14.698 0.00 0.00 C ATOM 11046 O2* C A 519 189.798 87.632 15.559 0.00 0.00 O ATOM 11047 C1* C A 519 189.621 89.826 14.755 0.00 0.00 C ATOM 11048 N1 C A 519 188.700 90.864 15.310 0.00 0.00 N ATOM 11049 C2 C A 519 188.480 90.917 16.698 0.00 0.00 C ATOM 11050 O2 C A 519 188.821 89.982 17.426 0.00 0.00 O ATOM 11051 N3 C A 519 187.930 92.032 17.266 0.00 0.00 N ATOM 11052 C4 C A 519 187.554 93.033 16.468 0.00 0.00 C ATOM 11053 N4 C A 519 187.036 94.116 16.998 0.00 0.00 N ATOM 11054 C5 C A 519 187.658 92.969 15.048 0.00 0.00 C ATOM 11055 C6 C A 519 188.221 91.865 14.508 0.00 0.00 C ATOM 11056 P A A 520 187.947 85.685 12.963 0.00 0.00 P ATOM 11057 O1P A A 520 188.369 84.270 13.121 0.00 0.00 O ATOM 11058 O2P A A 520 187.178 86.101 11.769 0.00 0.00 O ATOM 11059 O5* A A 520 187.097 86.075 14.266 0.00 0.00 O ATOM 11060 C5* A A 520 187.312 85.407 15.495 0.00 0.00 C ATOM 11061 C4* A A 520 186.441 86.002 16.598 0.00 0.00 C ATOM 11062 O4* A A 520 186.778 87.361 16.871 0.00 0.00 O ATOM 11063 C3* A A 520 184.958 85.975 16.258 0.00 0.00 C ATOM 11064 O3* A A 520 184.417 84.668 16.383 0.00 0.00 O ATOM 11065 C2* A A 520 184.464 87.024 17.264 0.00 0.00 C ATOM 11066 O2* A A 520 184.476 86.612 18.628 0.00 0.00 O ATOM 11067 C1* A A 520 185.576 88.067 17.165 0.00 0.00 C ATOM 11068 N9 A A 520 185.295 89.148 16.185 0.00 0.00 N ATOM 11069 C8 A A 520 185.466 89.199 14.822 0.00 0.00 C ATOM 11070 N7 A A 520 185.213 90.371 14.287 0.00 0.00 N ATOM 11071 C5 A A 520 184.799 91.142 15.385 0.00 0.00 C ATOM 11072 C6 A A 520 184.350 92.477 15.586 0.00 0.00 C ATOM 11073 N6 A A 520 184.230 93.424 14.673 0.00 0.00 N ATOM 11074 N1 A A 520 184.031 92.923 16.805 0.00 0.00 N ATOM 11075 C2 A A 520 184.142 92.077 17.823 0.00 0.00 C ATOM 11076 N3 A A 520 184.522 90.804 17.791 0.00 0.00 N ATOM 11077 C4 A A 520 184.842 90.395 16.533 0.00 0.00 C ATOM 11078 P G A 521 183.339 84.121 15.318 0.00 0.00 P ATOM 11079 O1P G A 521 183.078 82.695 15.593 0.00 0.00 O ATOM 11080 O2P G A 521 183.838 84.467 13.967 0.00 0.00 O ATOM 11081 O5* G A 521 182.063 85.027 15.713 0.00 0.00 O ATOM 11082 C5* G A 521 181.262 85.703 14.759 0.00 0.00 C ATOM 11083 C4* G A 521 180.833 87.048 15.345 0.00 0.00 C ATOM 11084 O4* G A 521 181.903 87.988 15.300 0.00 0.00 O ATOM 11085 C3* G A 521 179.683 87.688 14.573 0.00 0.00 C ATOM 11086 O3* G A 521 178.438 87.110 14.916 0.00 0.00 O ATOM 11087 C2* G A 521 179.847 89.132 15.044 0.00 0.00 C ATOM 11088 O2* G A 521 179.378 89.269 16.373 0.00 0.00 O ATOM 11089 C1* G A 521 181.373 89.278 15.043 0.00 0.00 C ATOM 11090 N9 G A 521 181.881 89.749 13.735 0.00 0.00 N ATOM 11091 C8 G A 521 182.538 89.057 12.745 0.00 0.00 C ATOM 11092 N7 G A 521 182.778 89.751 11.661 0.00 0.00 N ATOM 11093 C5 G A 521 182.287 91.021 11.989 0.00 0.00 C ATOM 11094 C6 G A 521 182.245 92.241 11.238 0.00 0.00 C ATOM 11095 O6 G A 521 182.654 92.463 10.104 0.00 0.00 O ATOM 11096 N1 G A 521 181.621 93.273 11.907 0.00 0.00 N ATOM 11097 C2 G A 521 181.110 93.166 13.161 0.00 0.00 C ATOM 11098 N2 G A 521 180.519 94.222 13.652 0.00 0.00 N ATOM 11099 N3 G A 521 181.157 92.065 13.906 0.00 0.00 N ATOM 11100 C4 G A 521 181.748 91.022 13.257 0.00 0.00 C ATOM 11101 P C A 522 177.165 87.242 13.962 0.00 0.00 P ATOM 11102 O1P C A 522 176.089 86.417 14.566 0.00 0.00 O ATOM 11103 O2P C A 522 177.628 86.942 12.598 0.00 0.00 O ATOM 11104 O5* C A 522 176.795 88.811 13.944 0.00 0.00 O ATOM 11105 C5* C A 522 176.294 89.534 15.055 0.00 0.00 C ATOM 11106 C4* C A 522 176.052 90.992 14.622 0.00 0.00 C ATOM 11107 O4* C A 522 177.235 91.651 14.155 0.00 0.00 O ATOM 11108 C3* C A 522 175.056 91.078 13.470 0.00 0.00 C ATOM 11109 O3* C A 522 173.715 90.890 13.901 0.00 0.00 O ATOM 11110 C2* C A 522 175.373 92.486 12.946 0.00 0.00 C ATOM 11111 O2* C A 522 174.792 93.503 13.749 0.00 0.00 O ATOM 11112 C1* C A 522 176.889 92.592 13.134 0.00 0.00 C ATOM 11113 N1 C A 522 177.640 92.353 11.863 0.00 0.00 N ATOM 11114 C2 C A 522 177.866 93.428 10.982 0.00 0.00 C ATOM 11115 O2 C A 522 177.439 94.562 11.212 0.00 0.00 O ATOM 11116 N3 C A 522 178.562 93.226 9.831 0.00 0.00 N ATOM 11117 C4 C A 522 179.040 92.017 9.561 0.00 0.00 C ATOM 11118 N4 C A 522 179.659 91.863 8.415 0.00 0.00 N ATOM 11119 C5 C A 522 178.835 90.896 10.416 0.00 0.00 C ATOM 11120 C6 C A 522 178.118 91.103 11.548 0.00 0.00 C ATOM 11121 P A A 523 172.591 90.318 12.905 0.00 0.00 P ATOM 11122 O1P A A 523 171.264 90.453 13.544 0.00 0.00 O ATOM 11123 O2P A A 523 173.033 89.005 12.388 0.00 0.00 O ATOM 11124 O5* A A 523 172.695 91.350 11.686 0.00 0.00 O ATOM 11125 C5* A A 523 172.158 92.657 11.725 0.00 0.00 C ATOM 11126 C4* A A 523 172.427 93.329 10.371 0.00 0.00 C ATOM 11127 O4* A A 523 173.814 93.532 10.101 0.00 0.00 O ATOM 11128 C3* A A 523 171.910 92.474 9.222 0.00 0.00 C ATOM 11129 O3* A A 523 170.503 92.506 9.145 0.00 0.00 O ATOM 11130 C2* A A 523 172.690 93.076 8.056 0.00 0.00 C ATOM 11131 O2* A A 523 172.246 94.360 7.644 0.00 0.00 O ATOM 11132 C1* A A 523 174.054 93.264 8.722 0.00 0.00 C ATOM 11133 N9 A A 523 174.920 92.068 8.571 0.00 0.00 N ATOM 11134 C8 A A 523 174.998 90.926 9.337 0.00 0.00 C ATOM 11135 N7 A A 523 175.901 90.070 8.937 0.00 0.00 N ATOM 11136 C5 A A 523 176.460 90.693 7.822 0.00 0.00 C ATOM 11137 C6 A A 523 177.507 90.374 6.932 0.00 0.00 C ATOM 11138 N6 A A 523 178.326 89.340 7.054 0.00 0.00 N ATOM 11139 N1 A A 523 177.808 91.178 5.917 0.00 0.00 N ATOM 11140 C2 A A 523 177.166 92.336 5.827 0.00 0.00 C ATOM 11141 N3 A A 523 176.182 92.788 6.602 0.00 0.00 N ATOM 11142 C4 A A 523 175.868 91.905 7.590 0.00 0.00 C ATOM 11143 P G A 524 169.691 91.373 8.356 0.00 0.00 P ATOM 11144 O1P G A 524 168.423 91.133 9.071 0.00 0.00 O ATOM 11145 O2P G A 524 170.585 90.243 8.018 0.00 0.00 O ATOM 11146 O5* G A 524 169.349 92.174 7.023 0.00 0.00 O ATOM 11147 C5* G A 524 168.469 91.632 6.062 0.00 0.00 C ATOM 11148 C4* G A 524 167.828 92.764 5.268 0.00 0.00 C ATOM 11149 O4* G A 524 166.923 93.501 6.088 0.00 0.00 O ATOM 11150 C3* G A 524 168.852 93.739 4.683 0.00 0.00 C ATOM 11151 O3* G A 524 169.395 93.231 3.460 0.00 0.00 O ATOM 11152 C2* G A 524 167.927 94.945 4.523 0.00 0.00 C ATOM 11153 O2* G A 524 167.112 94.716 3.387 0.00 0.00 O ATOM 11154 C1* G A 524 167.031 94.880 5.770 0.00 0.00 C ATOM 11155 N9 G A 524 167.519 95.625 6.967 0.00 0.00 N ATOM 11156 C8 G A 524 167.997 95.128 8.157 0.00 0.00 C ATOM 11157 N7 G A 524 168.138 96.021 9.102 0.00 0.00 N ATOM 11158 C5 G A 524 167.721 97.215 8.507 0.00 0.00 C ATOM 11159 C6 G A 524 167.606 98.558 9.028 0.00 0.00 C ATOM 11160 O6 G A 524 167.835 98.997 10.157 0.00 0.00 O ATOM 11161 N1 G A 524 167.154 99.464 8.084 0.00 0.00 N ATOM 11162 C2 G A 524 166.805 99.117 6.807 0.00 0.00 C ATOM 11163 N2 G A 524 166.309 100.044 6.024 0.00 0.00 N ATOM 11164 N3 G A 524 166.879 97.886 6.299 0.00 0.00 N ATOM 11165 C4 G A 524 167.355 96.974 7.196 0.00 0.00 C ATOM 11166 P C A 525 170.817 93.713 2.890 0.00 0.00 P ATOM 11167 O1P C A 525 171.141 92.980 1.643 0.00 0.00 O ATOM 11168 O2P C A 525 171.770 93.724 4.023 0.00 0.00 O ATOM 11169 O5* C A 525 170.595 95.229 2.453 0.00 0.00 O ATOM 11170 C5* C A 525 169.828 95.622 1.334 0.00 0.00 C ATOM 11171 C4* C A 525 169.705 97.156 1.326 0.00 0.00 C ATOM 11172 O4* C A 525 168.956 97.622 2.446 0.00 0.00 O ATOM 11173 C3* C A 525 171.049 97.879 1.410 0.00 0.00 C ATOM 11174 O3* C A 525 171.720 97.927 0.167 0.00 0.00 O ATOM 11175 C2* C A 525 170.615 99.242 1.955 0.00 0.00 C ATOM 11176 O2* C A 525 169.986 100.102 1.010 0.00 0.00 O ATOM 11177 C1* C A 525 169.531 98.827 2.946 0.00 0.00 C ATOM 11178 N1 C A 525 170.047 98.654 4.339 0.00 0.00 N ATOM 11179 C2 C A 525 169.972 99.740 5.223 0.00 0.00 C ATOM 11180 O2 C A 525 169.673 100.872 4.833 0.00 0.00 O ATOM 11181 N3 C A 525 170.233 99.560 6.546 0.00 0.00 N ATOM 11182 C4 C A 525 170.568 98.352 6.987 0.00 0.00 C ATOM 11183 N4 C A 525 170.747 98.193 8.275 0.00 0.00 N ATOM 11184 C5 C A 525 170.718 97.236 6.122 0.00 0.00 C ATOM 11185 C6 C A 525 170.472 97.431 4.806 0.00 0.00 C ATOM 11186 P C A 526 173.321 97.888 0.090 0.00 0.00 P ATOM 11187 O1P C A 526 173.663 97.696 -1.330 0.00 0.00 O ATOM 11188 O2P C A 526 173.778 96.878 1.064 0.00 0.00 O ATOM 11189 O5* C A 526 173.791 99.339 0.630 0.00 0.00 O ATOM 11190 C5* C A 526 173.571 100.556 -0.067 0.00 0.00 C ATOM 11191 C4* C A 526 173.818 101.779 0.846 0.00 0.00 C ATOM 11192 O4* C A 526 172.916 101.773 1.963 0.00 0.00 O ATOM 11193 C3* C A 526 175.237 101.891 1.424 0.00 0.00 C ATOM 11194 O3* C A 526 176.204 102.519 0.569 0.00 0.00 O ATOM 11195 C2* C A 526 174.967 102.717 2.699 0.00 0.00 C ATOM 11196 O2* C A 526 174.890 104.121 2.470 0.00 0.00 O ATOM 11197 C1* C A 526 173.571 102.265 3.137 0.00 0.00 C ATOM 11198 N1 C A 526 173.637 101.244 4.229 0.00 0.00 N ATOM 11199 C2 C A 526 173.620 101.652 5.579 0.00 0.00 C ATOM 11200 O2 C A 526 173.547 102.841 5.910 0.00 0.00 O ATOM 11201 N3 C A 526 173.686 100.718 6.567 0.00 0.00 N ATOM 11202 C4 C A 526 173.727 99.429 6.243 0.00 0.00 C ATOM 11203 N4 C A 526 173.777 98.549 7.209 0.00 0.00 N ATOM 11204 C5 C A 526 173.754 98.971 4.898 0.00 0.00 C ATOM 11205 C6 C A 526 173.724 99.907 3.923 0.00 0.00 C ATOM 11206 P G A 527 177.771 102.084 0.545 0.00 0.00 P ATOM 11207 O1P G A 527 178.633 103.293 0.489 0.00 0.00 O ATOM 11208 O2P G A 527 177.975 101.005 -0.439 0.00 0.00 O ATOM 11209 O5* G A 527 177.946 101.415 1.984 0.00 0.00 O ATOM 11210 C5* G A 527 178.891 101.815 2.952 0.00 0.00 C ATOM 11211 C4* G A 527 178.178 101.718 4.293 0.00 0.00 C ATOM 11212 O4* G A 527 177.282 100.604 4.334 0.00 0.00 O ATOM 11213 C3* G A 527 179.116 101.584 5.493 0.00 0.00 C ATOM 11214 O3* G A 527 179.665 102.825 5.917 0.00 0.00 O ATOM 11215 C2* G A 527 178.080 101.040 6.470 0.00 0.00 C ATOM 11216 O2* G A 527 177.156 102.067 6.803 0.00 0.00 O ATOM 11217 C1* G A 527 177.301 100.036 5.624 0.00 0.00 C ATOM 11218 N9 G A 527 177.911 98.688 5.536 0.00 0.00 N ATOM 11219 C8 G A 527 178.478 98.052 4.460 0.00 0.00 C ATOM 11220 N7 G A 527 178.887 96.836 4.707 0.00 0.00 N ATOM 11221 C5 G A 527 178.527 96.625 6.042 0.00 0.00 C ATOM 11222 C6 G A 527 178.691 95.495 6.920 0.00 0.00 C ATOM 11223 O6 G A 527 179.247 94.414 6.726 0.00 0.00 O ATOM 11224 N1 G A 527 178.171 95.715 8.187 0.00 0.00 N ATOM 11225 C2 G A 527 177.586 96.890 8.576 0.00 0.00 C ATOM 11226 N2 G A 527 177.151 96.997 9.806 0.00 0.00 N ATOM 11227 N3 G A 527 177.431 97.953 7.796 0.00 0.00 N ATOM 11228 C4 G A 527 177.922 97.759 6.542 0.00 0.00 C ATOM 11229 P C A 528 181.133 102.935 6.549 0.00 0.00 P ATOM 11230 O1P C A 528 181.257 104.346 7.002 0.00 0.00 O ATOM 11231 O2P C A 528 182.073 102.430 5.526 0.00 0.00 O ATOM 11232 O5* C A 528 181.153 101.957 7.850 0.00 0.00 O ATOM 11233 C5* C A 528 180.431 102.301 9.025 0.00 0.00 C ATOM 11234 C4* C A 528 180.442 101.299 10.204 0.00 0.00 C ATOM 11235 O4* C A 528 179.734 100.107 9.897 0.00 0.00 O ATOM 11236 C3* C A 528 181.775 100.806 10.751 0.00 0.00 C ATOM 11237 O3* C A 528 182.509 101.762 11.489 0.00 0.00 O ATOM 11238 C2* C A 528 181.279 99.655 11.646 0.00 0.00 C ATOM 11239 O2* C A 528 180.661 100.008 12.879 0.00 0.00 O ATOM 11240 C1* C A 528 180.143 99.084 10.806 0.00 0.00 C ATOM 11241 N1 C A 528 180.619 97.859 10.124 0.00 0.00 N ATOM 11242 C2 C A 528 180.776 96.678 10.872 0.00 0.00 C ATOM 11243 O2 C A 528 180.546 96.619 12.082 0.00 0.00 O ATOM 11244 N3 C A 528 181.185 95.549 10.253 0.00 0.00 N ATOM 11245 C4 C A 528 181.388 95.572 8.948 0.00 0.00 C ATOM 11246 N4 C A 528 181.624 94.426 8.388 0.00 0.00 N ATOM 11247 C5 C A 528 181.288 96.746 8.151 0.00 0.00 C ATOM 11248 C6 C A 528 180.922 97.881 8.785 0.00 0.00 C ATOM 11249 P G A 529 184.118 101.754 11.478 0.00 0.00 P ATOM 11250 O1P G A 529 184.545 102.819 12.418 0.00 0.00 O ATOM 11251 O2P G A 529 184.565 101.794 10.069 0.00 0.00 O ATOM 11252 O5* G A 529 184.517 100.305 12.094 0.00 0.00 O ATOM 11253 C5* G A 529 184.488 100.053 13.490 0.00 0.00 C ATOM 11254 C4* G A 529 185.055 98.670 13.868 0.00 0.00 C ATOM 11255 O4* G A 529 184.276 97.606 13.336 0.00 0.00 O ATOM 11256 C3* G A 529 186.493 98.406 13.435 0.00 0.00 C ATOM 11257 O3* G A 529 187.418 99.000 14.327 0.00 0.00 O ATOM 11258 C2* G A 529 186.537 96.868 13.501 0.00 0.00 C ATOM 11259 O2* G A 529 186.783 96.325 14.794 0.00 0.00 O ATOM 11260 C1* G A 529 185.110 96.468 13.125 0.00 0.00 C ATOM 11261 N9 G A 529 185.042 96.064 11.702 0.00 0.00 N ATOM 11262 C8 G A 529 184.858 96.890 10.624 0.00 0.00 C ATOM 11263 N7 G A 529 185.006 96.306 9.471 0.00 0.00 N ATOM 11264 C5 G A 529 185.291 94.981 9.799 0.00 0.00 C ATOM 11265 C6 G A 529 185.608 93.858 8.959 0.00 0.00 C ATOM 11266 O6 G A 529 185.724 93.776 7.738 0.00 0.00 O ATOM 11267 N1 G A 529 185.860 92.712 9.673 0.00 0.00 N ATOM 11268 C2 G A 529 185.788 92.613 11.026 0.00 0.00 C ATOM 11269 N2 G A 529 186.004 91.398 11.487 0.00 0.00 N ATOM 11270 N3 G A 529 185.504 93.634 11.854 0.00 0.00 N ATOM 11271 C4 G A 529 185.280 94.808 11.172 0.00 0.00 C ATOM 11272 P G A 530 188.567 99.999 13.836 0.00 0.00 P ATOM 11273 O1P G A 530 189.158 100.588 15.052 0.00 0.00 O ATOM 11274 O2P G A 530 188.012 100.978 12.883 0.00 0.00 O ATOM 11275 O5* G A 530 189.661 99.070 13.138 0.00 0.00 O ATOM 11276 C5* G A 530 190.314 98.048 13.878 0.00 0.00 C ATOM 11277 C4* G A 530 191.596 97.583 13.179 0.00 0.00 C ATOM 11278 O4* G A 530 191.305 97.257 11.834 0.00 0.00 O ATOM 11279 C3* G A 530 192.672 98.664 13.107 0.00 0.00 C ATOM 11280 O3* G A 530 193.486 98.722 14.269 0.00 0.00 O ATOM 11281 C2* G A 530 193.419 98.357 11.794 0.00 0.00 C ATOM 11282 O2* G A 530 194.707 97.763 11.841 0.00 0.00 O ATOM 11283 C1* G A 530 192.505 97.341 11.101 0.00 0.00 C ATOM 11284 N9 G A 530 192.274 97.714 9.686 0.00 0.00 N ATOM 11285 C8 G A 530 192.633 96.998 8.576 0.00 0.00 C ATOM 11286 N7 G A 530 192.322 97.564 7.446 0.00 0.00 N ATOM 11287 C5 G A 530 191.732 98.775 7.824 0.00 0.00 C ATOM 11288 C6 G A 530 191.209 99.867 7.039 0.00 0.00 C ATOM 11289 O6 G A 530 191.114 99.976 5.819 0.00 0.00 O ATOM 11290 N1 G A 530 190.804 100.959 7.794 0.00 0.00 N ATOM 11291 C2 G A 530 190.938 101.013 9.153 0.00 0.00 C ATOM 11292 N2 G A 530 190.625 102.146 9.747 0.00 0.00 N ATOM 11293 N3 G A 530 191.436 100.027 9.904 0.00 0.00 N ATOM 11294 C4 G A 530 191.779 98.910 9.194 0.00 0.00 C ATOM 11295 P U A 531 194.427 100.002 14.538 0.00 0.00 P ATOM 11296 O1P U A 531 194.036 101.075 13.595 0.00 0.00 O ATOM 11297 O2P U A 531 195.831 99.527 14.549 0.00 0.00 O ATOM 11298 O5* U A 531 194.039 100.454 16.047 0.00 0.00 O ATOM 11299 C5* U A 531 192.773 101.023 16.378 0.00 0.00 C ATOM 11300 C4* U A 531 192.752 101.628 17.796 0.00 0.00 C ATOM 11301 O4* U A 531 192.757 100.606 18.794 0.00 0.00 O ATOM 11302 C3* U A 531 193.956 102.545 18.070 0.00 0.00 C ATOM 11303 O3* U A 531 193.555 103.677 18.818 0.00 0.00 O ATOM 11304 C2* U A 531 194.855 101.612 18.886 0.00 0.00 C ATOM 11305 O2* U A 531 195.859 102.248 19.670 0.00 0.00 O ATOM 11306 C1* U A 531 193.812 100.844 19.713 0.00 0.00 C ATOM 11307 N1 U A 531 194.301 99.535 20.246 0.00 0.00 N ATOM 11308 C2 U A 531 194.164 99.200 21.610 0.00 0.00 C ATOM 11309 O2 U A 531 193.798 99.967 22.503 0.00 0.00 O ATOM 11310 N3 U A 531 194.548 97.919 21.980 0.00 0.00 N ATOM 11311 C4 U A 531 195.261 97.044 21.185 0.00 0.00 C ATOM 11312 O4 U A 531 195.726 96.015 21.663 0.00 0.00 O ATOM 11313 C5 U A 531 195.398 97.461 19.808 0.00 0.00 C ATOM 11314 C6 U A 531 194.894 98.644 19.378 0.00 0.00 C ATOM 11315 P A A 532 192.935 104.971 18.087 0.00 0.00 P ATOM 11316 O1P A A 532 192.491 104.541 16.742 0.00 0.00 O ATOM 11317 O2P A A 532 193.902 106.079 18.245 0.00 0.00 O ATOM 11318 O5* A A 532 191.629 105.257 18.988 0.00 0.00 O ATOM 11319 C5* A A 532 191.683 105.117 20.398 0.00 0.00 C ATOM 11320 C4* A A 532 190.383 105.511 21.106 0.00 0.00 C ATOM 11321 O4* A A 532 190.272 106.911 21.314 0.00 0.00 O ATOM 11322 C3* A A 532 189.122 105.110 20.358 0.00 0.00 C ATOM 11323 O3* A A 532 188.913 103.708 20.437 0.00 0.00 O ATOM 11324 C2* A A 532 188.099 105.996 21.077 0.00 0.00 C ATOM 11325 O2* A A 532 187.670 105.450 22.309 0.00 0.00 O ATOM 11326 C1* A A 532 188.896 107.238 21.464 0.00 0.00 C ATOM 11327 N9 A A 532 188.592 108.462 20.687 0.00 0.00 N ATOM 11328 C8 A A 532 189.491 109.407 20.263 0.00 0.00 C ATOM 11329 N7 A A 532 188.957 110.514 19.819 0.00 0.00 N ATOM 11330 C5 A A 532 187.582 110.250 19.897 0.00 0.00 C ATOM 11331 C6 A A 532 186.406 110.972 19.574 0.00 0.00 C ATOM 11332 N6 A A 532 186.355 112.222 19.150 0.00 0.00 N ATOM 11333 N1 A A 532 185.199 110.431 19.733 0.00 0.00 N ATOM 11334 C2 A A 532 185.128 109.207 20.244 0.00 0.00 C ATOM 11335 N3 A A 532 186.135 108.429 20.634 0.00 0.00 N ATOM 11336 C4 A A 532 187.351 109.000 20.415 0.00 0.00 C ATOM 11337 P A A 533 187.603 103.033 19.865 0.00 0.00 P ATOM 11338 O1P A A 533 186.631 103.151 20.977 0.00 0.00 O ATOM 11339 O2P A A 533 188.009 101.674 19.448 0.00 0.00 O ATOM 11340 O5* A A 533 187.199 103.925 18.583 0.00 0.00 O ATOM 11341 C5* A A 533 186.023 104.727 18.524 0.00 0.00 C ATOM 11342 C4* A A 533 184.845 103.992 17.869 0.00 0.00 C ATOM 11343 O4* A A 533 185.200 102.671 17.455 0.00 0.00 O ATOM 11344 C3* A A 533 183.694 103.796 18.838 0.00 0.00 C ATOM 11345 O3* A A 533 183.018 104.991 19.243 0.00 0.00 O ATOM 11346 C2* A A 533 182.955 102.648 18.145 0.00 0.00 C ATOM 11347 O2* A A 533 182.145 103.019 17.056 0.00 0.00 O ATOM 11348 C1* A A 533 184.037 101.866 17.424 0.00 0.00 C ATOM 11349 N9 A A 533 184.235 100.485 17.921 0.00 0.00 N ATOM 11350 C8 A A 533 185.075 100.017 18.900 0.00 0.00 C ATOM 11351 N7 A A 533 185.216 98.715 18.904 0.00 0.00 N ATOM 11352 C5 A A 533 184.351 98.287 17.887 0.00 0.00 C ATOM 11353 C6 A A 533 184.007 97.033 17.314 0.00 0.00 C ATOM 11354 N6 A A 533 184.524 95.862 17.654 0.00 0.00 N ATOM 11355 N1 A A 533 183.102 96.953 16.335 0.00 0.00 N ATOM 11356 C2 A A 533 182.543 98.081 15.913 0.00 0.00 C ATOM 11357 N3 A A 533 182.797 99.326 16.313 0.00 0.00 N ATOM 11358 C4 A A 533 183.711 99.361 17.325 0.00 0.00 C ATOM 11359 P U A 534 181.915 105.861 18.417 0.00 0.00 P ATOM 11360 O1P U A 534 182.121 105.737 16.945 0.00 0.00 O ATOM 11361 O2P U A 534 181.886 107.210 19.009 0.00 0.00 O ATOM 11362 O5* U A 534 180.524 105.152 18.842 0.00 0.00 O ATOM 11363 C5* U A 534 180.264 104.840 20.214 0.00 0.00 C ATOM 11364 C4* U A 534 178.777 104.787 20.578 0.00 0.00 C ATOM 11365 O4* U A 534 178.214 106.096 20.585 0.00 0.00 O ATOM 11366 C3* U A 534 177.905 103.929 19.668 0.00 0.00 C ATOM 11367 O3* U A 534 177.973 102.539 19.943 0.00 0.00 O ATOM 11368 C2* U A 534 176.545 104.545 20.006 0.00 0.00 C ATOM 11369 O2* U A 534 176.016 104.163 21.262 0.00 0.00 O ATOM 11370 C1* U A 534 176.852 106.030 20.176 0.00 0.00 C ATOM 11371 N1 U A 534 176.592 106.836 18.952 0.00 0.00 N ATOM 11372 C2 U A 534 175.312 107.383 18.780 0.00 0.00 C ATOM 11373 O2 U A 534 174.383 107.171 19.556 0.00 0.00 O ATOM 11374 N3 U A 534 175.114 108.189 17.672 0.00 0.00 N ATOM 11375 C4 U A 534 176.091 108.537 16.758 0.00 0.00 C ATOM 11376 O4 U A 534 175.833 109.297 15.836 0.00 0.00 O ATOM 11377 C5 U A 534 177.388 107.941 17.003 0.00 0.00 C ATOM 11378 C6 U A 534 177.602 107.123 18.064 0.00 0.00 C ATOM 11379 P A A 535 178.814 101.535 19.000 0.00 0.00 P ATOM 11380 O1P A A 535 178.963 100.233 19.687 0.00 0.00 O ATOM 11381 O2P A A 535 180.027 102.219 18.498 0.00 0.00 O ATOM 11382 O5* A A 535 177.856 101.350 17.724 0.00 0.00 O ATOM 11383 C5* A A 535 176.541 100.823 17.816 0.00 0.00 C ATOM 11384 C4* A A 535 176.237 99.957 16.589 0.00 0.00 C ATOM 11385 O4* A A 535 176.170 100.746 15.405 0.00 0.00 O ATOM 11386 C3* A A 535 177.318 98.890 16.361 0.00 0.00 C ATOM 11387 O3* A A 535 176.687 97.673 16.011 0.00 0.00 O ATOM 11388 C2* A A 535 178.103 99.480 15.192 0.00 0.00 C ATOM 11389 O2* A A 535 178.818 98.492 14.472 0.00 0.00 O ATOM 11390 C1* A A 535 176.983 100.156 14.405 0.00 0.00 C ATOM 11391 N9 A A 535 177.431 101.229 13.488 0.00 0.00 N ATOM 11392 C8 A A 535 177.946 102.454 13.832 0.00 0.00 C ATOM 11393 N7 A A 535 178.063 103.295 12.837 0.00 0.00 N ATOM 11394 C5 A A 535 177.582 102.559 11.750 0.00 0.00 C ATOM 11395 C6 A A 535 177.404 102.842 10.377 0.00 0.00 C ATOM 11396 N6 A A 535 177.735 103.992 9.807 0.00 0.00 N ATOM 11397 N1 A A 535 176.953 101.912 9.528 0.00 0.00 N ATOM 11398 C2 A A 535 176.687 100.709 10.034 0.00 0.00 C ATOM 11399 N3 A A 535 176.803 100.293 11.295 0.00 0.00 N ATOM 11400 C4 A A 535 177.249 101.282 12.123 0.00 0.00 C ATOM 11401 P C A 536 176.248 96.636 17.142 0.00 0.00 P ATOM 11402 O1P C A 536 175.037 95.924 16.716 0.00 0.00 O ATOM 11403 O2P C A 536 176.262 97.297 18.466 0.00 0.00 O ATOM 11404 O5* C A 536 177.436 95.562 17.197 0.00 0.00 O ATOM 11405 C5* C A 536 177.528 94.515 16.243 0.00 0.00 C ATOM 11406 C4* C A 536 178.671 93.553 16.584 0.00 0.00 C ATOM 11407 O4* C A 536 179.946 94.147 16.369 0.00 0.00 O ATOM 11408 C3* C A 536 178.632 93.089 18.037 0.00 0.00 C ATOM 11409 O3* C A 536 177.700 92.027 18.234 0.00 0.00 O ATOM 11410 C2* C A 536 180.110 92.746 18.240 0.00 0.00 C ATOM 11411 O2* C A 536 180.489 91.529 17.606 0.00 0.00 O ATOM 11412 C1* C A 536 180.790 93.906 17.493 0.00 0.00 C ATOM 11413 N1 C A 536 180.968 95.164 18.300 0.00 0.00 N ATOM 11414 C2 C A 536 181.863 95.189 19.391 0.00 0.00 C ATOM 11415 O2 C A 536 182.429 94.171 19.804 0.00 0.00 O ATOM 11416 N3 C A 536 182.132 96.365 20.024 0.00 0.00 N ATOM 11417 C4 C A 536 181.502 97.472 19.640 0.00 0.00 C ATOM 11418 N4 C A 536 181.768 98.594 20.258 0.00 0.00 N ATOM 11419 C5 C A 536 180.591 97.500 18.554 0.00 0.00 C ATOM 11420 C6 C A 536 180.363 96.339 17.903 0.00 0.00 C ATOM 11421 P G A 537 176.652 92.045 19.460 0.00 0.00 P ATOM 11422 O1P G A 537 175.559 91.075 19.209 0.00 0.00 O ATOM 11423 O2P G A 537 176.315 93.454 19.762 0.00 0.00 O ATOM 11424 O5* G A 537 177.531 91.511 20.677 0.00 0.00 O ATOM 11425 C5* G A 537 177.954 90.164 20.800 0.00 0.00 C ATOM 11426 C4* G A 537 178.821 90.033 22.056 0.00 0.00 C ATOM 11427 O4* G A 537 180.029 90.774 21.885 0.00 0.00 O ATOM 11428 C3* G A 537 178.123 90.578 23.309 0.00 0.00 C ATOM 11429 O3* G A 537 177.215 89.669 23.942 0.00 0.00 O ATOM 11430 C2* G A 537 179.331 91.001 24.148 0.00 0.00 C ATOM 11431 O2* G A 537 179.991 89.943 24.831 0.00 0.00 O ATOM 11432 C1* G A 537 180.290 91.511 23.069 0.00 0.00 C ATOM 11433 N9 G A 537 180.160 92.973 22.846 0.00 0.00 N ATOM 11434 C8 G A 537 179.559 93.680 21.834 0.00 0.00 C ATOM 11435 N7 G A 537 179.706 94.976 21.922 0.00 0.00 N ATOM 11436 C5 G A 537 180.467 95.151 23.086 0.00 0.00 C ATOM 11437 C6 G A 537 181.000 96.326 23.736 0.00 0.00 C ATOM 11438 O6 G A 537 180.959 97.509 23.402 0.00 0.00 O ATOM 11439 N1 G A 537 181.679 96.035 24.911 0.00 0.00 N ATOM 11440 C2 G A 537 181.868 94.765 25.387 0.00 0.00 C ATOM 11441 N2 G A 537 182.483 94.604 26.535 0.00 0.00 N ATOM 11442 N3 G A 537 181.432 93.659 24.792 0.00 0.00 N ATOM 11443 C4 G A 537 180.730 93.921 23.653 0.00 0.00 C ATOM 11444 P G A 538 175.864 90.229 24.628 0.00 0.00 P ATOM 11445 O1P G A 538 174.994 89.117 25.095 0.00 0.00 O ATOM 11446 O2P G A 538 175.302 91.219 23.689 0.00 0.00 O ATOM 11447 O5* G A 538 176.439 90.966 25.937 0.00 0.00 O ATOM 11448 C5* G A 538 176.963 90.181 26.997 0.00 0.00 C ATOM 11449 C4* G A 538 177.590 91.021 28.114 0.00 0.00 C ATOM 11450 O4* G A 538 178.714 91.718 27.590 0.00 0.00 O ATOM 11451 C3* G A 538 176.689 92.066 28.799 0.00 0.00 C ATOM 11452 O3* G A 538 175.756 91.583 29.778 0.00 0.00 O ATOM 11453 C2* G A 538 177.802 92.924 29.414 0.00 0.00 C ATOM 11454 O2* G A 538 178.386 92.321 30.565 0.00 0.00 O ATOM 11455 C1* G A 538 178.847 92.942 28.296 0.00 0.00 C ATOM 11456 N9 G A 538 178.651 94.099 27.391 0.00 0.00 N ATOM 11457 C8 G A 538 178.053 94.167 26.157 0.00 0.00 C ATOM 11458 N7 G A 538 178.093 95.353 25.610 0.00 0.00 N ATOM 11459 C5 G A 538 178.743 96.147 26.563 0.00 0.00 C ATOM 11460 C6 G A 538 179.081 97.549 26.591 0.00 0.00 C ATOM 11461 O6 G A 538 178.887 98.431 25.755 0.00 0.00 O ATOM 11462 N1 G A 538 179.699 97.936 27.769 0.00 0.00 N ATOM 11463 C2 G A 538 179.970 97.083 28.803 0.00 0.00 C ATOM 11464 N2 G A 538 180.483 97.571 29.911 0.00 0.00 N ATOM 11465 N3 G A 538 179.691 95.781 28.806 0.00 0.00 N ATOM 11466 C4 G A 538 179.076 95.375 27.657 0.00 0.00 C ATOM 11467 P A A 539 174.525 92.506 30.269 0.00 0.00 P ATOM 11468 O1P A A 539 173.647 91.812 31.240 0.00 0.00 O ATOM 11469 O2P A A 539 173.923 93.167 29.102 0.00 0.00 O ATOM 11470 O5* A A 539 175.230 93.625 31.140 0.00 0.00 O ATOM 11471 C5* A A 539 175.890 93.353 32.361 0.00 0.00 C ATOM 11472 C4* A A 539 176.534 94.655 32.832 0.00 0.00 C ATOM 11473 O4* A A 539 177.460 95.163 31.876 0.00 0.00 O ATOM 11474 C3* A A 539 175.476 95.726 33.060 0.00 0.00 C ATOM 11475 O3* A A 539 174.869 95.535 34.325 0.00 0.00 O ATOM 11476 C2* A A 539 176.311 96.992 32.887 0.00 0.00 C ATOM 11477 O2* A A 539 177.118 97.292 34.015 0.00 0.00 O ATOM 11478 C1* A A 539 177.233 96.564 31.741 0.00 0.00 C ATOM 11479 N9 A A 539 176.673 96.900 30.406 0.00 0.00 N ATOM 11480 C8 A A 539 176.057 96.112 29.454 0.00 0.00 C ATOM 11481 N7 A A 539 175.835 96.711 28.319 0.00 0.00 N ATOM 11482 C5 A A 539 176.290 98.009 28.553 0.00 0.00 C ATOM 11483 C6 A A 539 176.347 99.183 27.776 0.00 0.00 C ATOM 11484 N6 A A 539 175.958 99.233 26.513 0.00 0.00 N ATOM 11485 N1 A A 539 176.842 100.320 28.292 0.00 0.00 N ATOM 11486 C2 A A 539 177.290 100.287 29.545 0.00 0.00 C ATOM 11487 N3 A A 539 177.313 99.257 30.388 0.00 0.00 N ATOM 11488 C4 A A 539 176.784 98.137 29.822 0.00 0.00 C ATOM 11489 P G A 540 173.350 95.934 34.570 0.00 0.00 P ATOM 11490 O1P G A 540 172.964 95.531 35.940 0.00 0.00 O ATOM 11491 O2P G A 540 172.559 95.402 33.432 0.00 0.00 O ATOM 11492 O5* G A 540 173.368 97.542 34.533 0.00 0.00 O ATOM 11493 C5* G A 540 173.978 98.289 35.584 0.00 0.00 C ATOM 11494 C4* G A 540 174.084 99.782 35.255 0.00 0.00 C ATOM 11495 O4* G A 540 174.962 99.936 34.145 0.00 0.00 O ATOM 11496 C3* G A 540 172.750 100.443 34.900 0.00 0.00 C ATOM 11497 O3* G A 540 171.936 100.840 36.018 0.00 0.00 O ATOM 11498 C2* G A 540 173.278 101.602 34.045 0.00 0.00 C ATOM 11499 O2* G A 540 173.752 102.699 34.815 0.00 0.00 O ATOM 11500 C1* G A 540 174.488 100.996 33.330 0.00 0.00 C ATOM 11501 N9 G A 540 174.137 100.508 31.972 0.00 0.00 N ATOM 11502 C8 G A 540 173.772 99.253 31.556 0.00 0.00 C ATOM 11503 N7 G A 540 173.561 99.149 30.272 0.00 0.00 N ATOM 11504 C5 G A 540 173.744 100.451 29.794 0.00 0.00 C ATOM 11505 C6 G A 540 173.581 101.030 28.481 0.00 0.00 C ATOM 11506 O6 G A 540 173.268 100.524 27.402 0.00 0.00 O ATOM 11507 N1 G A 540 173.775 102.394 28.471 0.00 0.00 N ATOM 11508 C2 G A 540 174.118 103.124 29.568 0.00 0.00 C ATOM 11509 N2 G A 540 174.192 104.417 29.391 0.00 0.00 N ATOM 11510 N3 G A 540 174.307 102.631 30.791 0.00 0.00 N ATOM 11511 C4 G A 540 174.093 101.284 30.840 0.00 0.00 C ATOM 11512 P G A 541 170.323 100.947 35.861 0.00 0.00 P ATOM 11513 O1P G A 541 169.690 101.482 37.100 0.00 0.00 O ATOM 11514 O2P G A 541 169.851 99.664 35.295 0.00 0.00 O ATOM 11515 O5* G A 541 170.199 102.082 34.732 0.00 0.00 O ATOM 11516 C5* G A 541 170.394 103.447 35.061 0.00 0.00 C ATOM 11517 C4* G A 541 170.430 104.326 33.811 0.00 0.00 C ATOM 11518 O4* G A 541 171.480 103.934 32.926 0.00 0.00 O ATOM 11519 C3* G A 541 169.151 104.257 32.986 0.00 0.00 C ATOM 11520 O3* G A 541 168.024 104.957 33.504 0.00 0.00 O ATOM 11521 C2* G A 541 169.706 104.796 31.663 0.00 0.00 C ATOM 11522 O2* G A 541 170.035 106.185 31.673 0.00 0.00 O ATOM 11523 C1* G A 541 171.015 104.012 31.582 0.00 0.00 C ATOM 11524 N9 G A 541 170.781 102.692 30.927 0.00 0.00 N ATOM 11525 C8 G A 541 170.635 101.430 31.453 0.00 0.00 C ATOM 11526 N7 G A 541 170.399 100.495 30.566 0.00 0.00 N ATOM 11527 C5 G A 541 170.401 101.183 29.345 0.00 0.00 C ATOM 11528 C6 G A 541 170.206 100.742 27.984 0.00 0.00 C ATOM 11529 O6 G A 541 170.030 99.608 27.532 0.00 0.00 O ATOM 11530 N1 G A 541 170.173 101.791 27.078 0.00 0.00 N ATOM 11531 C2 G A 541 170.312 103.106 27.426 0.00 0.00 C ATOM 11532 N2 G A 541 170.136 104.022 26.503 0.00 0.00 N ATOM 11533 N3 G A 541 170.555 103.540 28.659 0.00 0.00 N ATOM 11534 C4 G A 541 170.587 102.531 29.576 0.00 0.00 C ATOM 11535 P G A 542 166.542 104.505 33.050 0.00 0.00 P ATOM 11536 O1P G A 542 165.476 105.297 33.691 0.00 0.00 O ATOM 11537 O2P G A 542 166.450 103.030 33.128 0.00 0.00 O ATOM 11538 O5* G A 542 166.513 104.857 31.503 0.00 0.00 O ATOM 11539 C5* G A 542 166.673 106.191 31.063 0.00 0.00 C ATOM 11540 C4* G A 542 166.642 106.213 29.541 0.00 0.00 C ATOM 11541 O4* G A 542 167.633 105.360 28.981 0.00 0.00 O ATOM 11542 C3* G A 542 165.284 105.782 28.998 0.00 0.00 C ATOM 11543 O3* G A 542 164.387 106.880 29.078 0.00 0.00 O ATOM 11544 C2* G A 542 165.724 105.401 27.585 0.00 0.00 C ATOM 11545 O2* G A 542 165.934 106.574 26.816 0.00 0.00 O ATOM 11546 C1* G A 542 167.085 104.734 27.831 0.00 0.00 C ATOM 11547 N9 G A 542 166.988 103.262 28.028 0.00 0.00 N ATOM 11548 C8 G A 542 167.170 102.509 29.164 0.00 0.00 C ATOM 11549 N7 G A 542 167.114 101.213 28.979 0.00 0.00 N ATOM 11550 C5 G A 542 166.889 101.091 27.599 0.00 0.00 C ATOM 11551 C6 G A 542 166.767 99.932 26.749 0.00 0.00 C ATOM 11552 O6 G A 542 166.849 98.732 27.031 0.00 0.00 O ATOM 11553 N1 G A 542 166.520 100.265 25.428 0.00 0.00 N ATOM 11554 C2 G A 542 166.431 101.548 24.964 0.00 0.00 C ATOM 11555 N2 G A 542 166.145 101.694 23.694 0.00 0.00 N ATOM 11556 N3 G A 542 166.579 102.641 25.709 0.00 0.00 N ATOM 11557 C4 G A 542 166.800 102.345 27.023 0.00 0.00 C ATOM 11558 P U A 543 162.801 106.710 28.991 0.00 0.00 P ATOM 11559 O1P U A 543 162.252 108.089 28.944 0.00 0.00 O ATOM 11560 O2P U A 543 162.387 105.772 30.066 0.00 0.00 O ATOM 11561 O5* U A 543 162.589 106.020 27.549 0.00 0.00 O ATOM 11562 C5* U A 543 162.681 106.807 26.371 0.00 0.00 C ATOM 11563 C4* U A 543 162.516 106.012 25.075 0.00 0.00 C ATOM 11564 O4* U A 543 163.549 105.062 24.807 0.00 0.00 O ATOM 11565 C3* U A 543 161.205 105.232 24.997 0.00 0.00 C ATOM 11566 O3* U A 543 160.074 106.052 24.788 0.00 0.00 O ATOM 11567 C2* U A 543 161.539 104.388 23.773 0.00 0.00 C ATOM 11568 O2* U A 543 161.517 105.239 22.633 0.00 0.00 O ATOM 11569 C1* U A 543 162.975 103.960 24.096 0.00 0.00 C ATOM 11570 N1 U A 543 163.020 102.710 24.922 0.00 0.00 N ATOM 11571 C2 U A 543 162.968 101.471 24.266 0.00 0.00 C ATOM 11572 O2 U A 543 162.792 101.360 23.057 0.00 0.00 O ATOM 11573 N3 U A 543 163.131 100.339 25.045 0.00 0.00 N ATOM 11574 C4 U A 543 163.344 100.317 26.404 0.00 0.00 C ATOM 11575 O4 U A 543 163.520 99.247 26.977 0.00 0.00 O ATOM 11576 C5 U A 543 163.355 101.626 27.024 0.00 0.00 C ATOM 11577 C6 U A 543 163.179 102.757 26.292 0.00 0.00 C ATOM 11578 P G A 544 158.613 105.503 25.064 0.00 0.00 P ATOM 11579 O1P G A 544 157.717 106.588 24.608 0.00 0.00 O ATOM 11580 O2P G A 544 158.550 105.096 26.484 0.00 0.00 O ATOM 11581 O5* G A 544 158.405 104.194 24.141 0.00 0.00 O ATOM 11582 C5* G A 544 158.226 104.269 22.733 0.00 0.00 C ATOM 11583 C4* G A 544 158.135 102.867 22.110 0.00 0.00 C ATOM 11584 O4* G A 544 159.292 102.080 22.381 0.00 0.00 O ATOM 11585 C3* G A 544 156.931 102.070 22.604 0.00 0.00 C ATOM 11586 O3* G A 544 155.739 102.479 21.946 0.00 0.00 O ATOM 11587 C2* G A 544 157.397 100.652 22.249 0.00 0.00 C ATOM 11588 O2* G A 544 157.188 100.318 20.882 0.00 0.00 O ATOM 11589 C1* G A 544 158.910 100.712 22.467 0.00 0.00 C ATOM 11590 N9 G A 544 159.297 100.133 23.777 0.00 0.00 N ATOM 11591 C8 G A 544 159.570 100.772 24.958 0.00 0.00 C ATOM 11592 N7 G A 544 159.935 99.976 25.927 0.00 0.00 N ATOM 11593 C5 G A 544 159.892 98.699 25.355 0.00 0.00 C ATOM 11594 C6 G A 544 160.173 97.392 25.897 0.00 0.00 C ATOM 11595 O6 G A 544 160.568 97.069 27.018 0.00 0.00 O ATOM 11596 N1 G A 544 159.948 96.370 24.990 0.00 0.00 N ATOM 11597 C2 G A 544 159.516 96.567 23.709 0.00 0.00 C ATOM 11598 N2 G A 544 159.352 95.503 22.958 0.00 0.00 N ATOM 11599 N3 G A 544 159.270 97.764 23.171 0.00 0.00 N ATOM 11600 C4 G A 544 159.473 98.793 24.044 0.00 0.00 C ATOM 11601 P C A 545 154.293 102.431 22.653 0.00 0.00 P ATOM 11602 O1P C A 545 153.307 102.849 21.641 0.00 0.00 O ATOM 11603 O2P C A 545 154.367 103.220 23.906 0.00 0.00 O ATOM 11604 O5* C A 545 154.079 100.871 23.007 0.00 0.00 O ATOM 11605 C5* C A 545 153.672 99.958 21.999 0.00 0.00 C ATOM 11606 C4* C A 545 153.966 98.500 22.350 0.00 0.00 C ATOM 11607 O4* C A 545 155.345 98.309 22.676 0.00 0.00 O ATOM 11608 C3* C A 545 153.192 97.866 23.507 0.00 0.00 C ATOM 11609 O3* C A 545 151.821 97.593 23.238 0.00 0.00 O ATOM 11610 C2* C A 545 154.085 96.617 23.651 0.00 0.00 C ATOM 11611 O2* C A 545 154.190 95.798 22.500 0.00 0.00 O ATOM 11612 C1* C A 545 155.479 97.210 23.581 0.00 0.00 C ATOM 11613 N1 C A 545 156.007 97.567 24.924 0.00 0.00 N ATOM 11614 C2 C A 545 156.549 96.554 25.735 0.00 0.00 C ATOM 11615 O2 C A 545 156.522 95.363 25.410 0.00 0.00 O ATOM 11616 N3 C A 545 157.146 96.881 26.909 0.00 0.00 N ATOM 11617 C4 C A 545 157.215 98.156 27.272 0.00 0.00 C ATOM 11618 N4 C A 545 157.936 98.423 28.333 0.00 0.00 N ATOM 11619 C5 C A 545 156.659 99.214 26.496 0.00 0.00 C ATOM 11620 C6 C A 545 156.050 98.875 25.335 0.00 0.00 C ATOM 11621 P A A 546 150.718 97.533 24.424 0.00 0.00 P ATOM 11622 O1P A A 546 149.391 97.265 23.825 0.00 0.00 O ATOM 11623 O2P A A 546 150.860 98.753 25.256 0.00 0.00 O ATOM 11624 O5* A A 546 151.195 96.248 25.294 0.00 0.00 O ATOM 11625 C5* A A 546 151.185 94.925 24.760 0.00 0.00 C ATOM 11626 C4* A A 546 151.892 93.907 25.675 0.00 0.00 C ATOM 11627 O4* A A 546 153.242 94.288 25.941 0.00 0.00 O ATOM 11628 C3* A A 546 151.223 93.703 27.031 0.00 0.00 C ATOM 11629 O3* A A 546 150.104 92.820 27.002 0.00 0.00 O ATOM 11630 C2* A A 546 152.407 93.148 27.823 0.00 0.00 C ATOM 11631 O2* A A 546 152.654 91.793 27.495 0.00 0.00 O ATOM 11632 C1* A A 546 153.595 93.935 27.273 0.00 0.00 C ATOM 11633 N9 A A 546 153.919 95.156 28.060 0.00 0.00 N ATOM 11634 C8 A A 546 153.610 96.465 27.779 0.00 0.00 C ATOM 11635 N7 A A 546 154.096 97.335 28.628 0.00 0.00 N ATOM 11636 C5 A A 546 154.784 96.535 29.548 0.00 0.00 C ATOM 11637 C6 A A 546 155.537 96.794 30.722 0.00 0.00 C ATOM 11638 N6 A A 546 155.802 97.999 31.206 0.00 0.00 N ATOM 11639 N1 A A 546 156.041 95.787 31.442 0.00 0.00 N ATOM 11640 C2 A A 546 155.851 94.551 30.991 0.00 0.00 C ATOM 11641 N3 A A 546 155.199 94.157 29.899 0.00 0.00 N ATOM 11642 C4 A A 546 154.672 95.208 29.213 0.00 0.00 C ATOM 11643 P A A 547 149.193 92.612 28.310 0.00 0.00 P ATOM 11644 O1P A A 547 147.825 92.240 27.901 0.00 0.00 O ATOM 11645 O2P A A 547 149.364 93.815 29.150 0.00 0.00 O ATOM 11646 O5* A A 547 149.821 91.384 29.175 0.00 0.00 O ATOM 11647 C5* A A 547 149.354 90.045 29.037 0.00 0.00 C ATOM 11648 C4* A A 547 150.135 89.255 27.976 0.00 0.00 C ATOM 11649 O4* A A 547 151.444 88.920 28.467 0.00 0.00 O ATOM 11650 C3* A A 547 149.423 87.917 27.686 0.00 0.00 C ATOM 11651 O3* A A 547 149.647 87.497 26.347 0.00 0.00 O ATOM 11652 C2* A A 547 150.169 87.022 28.675 0.00 0.00 C ATOM 11653 O2* A A 547 149.961 85.624 28.529 0.00 0.00 O ATOM 11654 C1* A A 547 151.591 87.505 28.394 0.00 0.00 C ATOM 11655 N9 A A 547 152.597 86.949 29.338 0.00 0.00 N ATOM 11656 C8 A A 547 152.352 86.282 30.511 0.00 0.00 C ATOM 11657 N7 A A 547 153.416 85.897 31.149 0.00 0.00 N ATOM 11658 C5 A A 547 154.455 86.394 30.376 0.00 0.00 C ATOM 11659 C6 A A 547 155.850 86.519 30.565 0.00 0.00 C ATOM 11660 N6 A A 547 156.477 86.404 31.729 0.00 0.00 N ATOM 11661 N1 A A 547 156.640 86.848 29.543 0.00 0.00 N ATOM 11662 C2 A A 547 156.043 87.190 28.403 0.00 0.00 C ATOM 11663 N3 A A 547 154.739 87.322 28.152 0.00 0.00 N ATOM 11664 C4 A A 547 153.975 86.907 29.200 0.00 0.00 C ATOM 11665 P G A 548 148.739 88.010 25.136 0.00 0.00 P ATOM 11666 O1P G A 548 147.359 88.153 25.643 0.00 0.00 O ATOM 11667 O2P G A 548 148.991 87.134 23.966 0.00 0.00 O ATOM 11668 O5* G A 548 149.308 89.478 24.803 0.00 0.00 O ATOM 11669 C5* G A 548 150.428 89.683 23.959 0.00 0.00 C ATOM 11670 C4* G A 548 151.743 89.874 24.724 0.00 0.00 C ATOM 11671 O4* G A 548 152.177 88.679 25.347 0.00 0.00 O ATOM 11672 C3* G A 548 152.856 90.252 23.747 0.00 0.00 C ATOM 11673 O3* G A 548 152.750 91.625 23.404 0.00 0.00 O ATOM 11674 C2* G A 548 154.118 89.821 24.518 0.00 0.00 C ATOM 11675 O2* G A 548 154.622 90.768 25.450 0.00 0.00 O ATOM 11676 C1* G A 548 153.587 88.582 25.258 0.00 0.00 C ATOM 11677 N9 G A 548 153.923 87.350 24.513 0.00 0.00 N ATOM 11678 C8 G A 548 153.090 86.506 23.823 0.00 0.00 C ATOM 11679 N7 G A 548 153.696 85.488 23.277 0.00 0.00 N ATOM 11680 C5 G A 548 155.030 85.646 23.662 0.00 0.00 C ATOM 11681 C6 G A 548 156.190 84.825 23.440 0.00 0.00 C ATOM 11682 O6 G A 548 156.296 83.744 22.864 0.00 0.00 O ATOM 11683 N1 G A 548 157.342 85.361 23.984 0.00 0.00 N ATOM 11684 C2 G A 548 157.392 86.549 24.657 0.00 0.00 C ATOM 11685 N2 G A 548 158.578 86.983 25.016 0.00 0.00 N ATOM 11686 N3 G A 548 156.337 87.324 24.905 0.00 0.00 N ATOM 11687 C4 G A 548 155.179 86.808 24.393 0.00 0.00 C ATOM 11688 P C A 549 153.063 92.211 21.945 0.00 0.00 P ATOM 11689 O1P C A 549 152.747 93.656 21.919 0.00 0.00 O ATOM 11690 O2P C A 549 152.546 91.312 20.894 0.00 0.00 O ATOM 11691 O5* C A 549 154.629 92.099 21.790 0.00 0.00 O ATOM 11692 C5* C A 549 155.509 92.805 22.635 0.00 0.00 C ATOM 11693 C4* C A 549 156.892 92.194 22.470 0.00 0.00 C ATOM 11694 O4* C A 549 156.958 90.866 22.989 0.00 0.00 O ATOM 11695 C3* C A 549 157.296 92.109 20.994 0.00 0.00 C ATOM 11696 O3* C A 549 157.733 93.357 20.480 0.00 0.00 O ATOM 11697 C2* C A 549 158.391 91.067 21.125 0.00 0.00 C ATOM 11698 O2* C A 549 159.518 91.736 21.659 0.00 0.00 O ATOM 11699 C1* C A 549 157.801 90.082 22.150 0.00 0.00 C ATOM 11700 N1 C A 549 157.043 88.941 21.532 0.00 0.00 N ATOM 11701 C2 C A 549 157.744 87.772 21.194 0.00 0.00 C ATOM 11702 O2 C A 549 158.964 87.702 21.341 0.00 0.00 O ATOM 11703 N3 C A 549 157.090 86.691 20.693 0.00 0.00 N ATOM 11704 C4 C A 549 155.775 86.757 20.505 0.00 0.00 C ATOM 11705 N4 C A 549 155.176 85.691 20.023 0.00 0.00 N ATOM 11706 C5 C A 549 155.010 87.910 20.855 0.00 0.00 C ATOM 11707 C6 C A 549 155.677 88.975 21.362 0.00 0.00 C ATOM 11708 P G A 550 157.864 93.623 18.907 0.00 0.00 P ATOM 11709 O1P G A 550 158.490 94.951 18.749 0.00 0.00 O ATOM 11710 O2P G A 550 156.516 93.359 18.336 0.00 0.00 O ATOM 11711 O5* G A 550 158.883 92.503 18.340 0.00 0.00 O ATOM 11712 C5* G A 550 160.290 92.669 18.456 0.00 0.00 C ATOM 11713 C4* G A 550 161.070 91.413 18.059 0.00 0.00 C ATOM 11714 O4* G A 550 160.681 90.332 18.902 0.00 0.00 O ATOM 11715 C3* G A 550 160.924 90.917 16.619 0.00 0.00 C ATOM 11716 O3* G A 550 161.686 91.644 15.657 0.00 0.00 O ATOM 11717 C2* G A 550 161.407 89.475 16.828 0.00 0.00 C ATOM 11718 O2* G A 550 162.810 89.316 16.997 0.00 0.00 O ATOM 11719 C1* G A 550 160.782 89.124 18.173 0.00 0.00 C ATOM 11720 N9 G A 550 159.497 88.422 17.955 0.00 0.00 N ATOM 11721 C8 G A 550 158.194 88.849 17.985 0.00 0.00 C ATOM 11722 N7 G A 550 157.322 87.913 17.703 0.00 0.00 N ATOM 11723 C5 G A 550 158.106 86.774 17.456 0.00 0.00 C ATOM 11724 C6 G A 550 157.793 85.409 17.090 0.00 0.00 C ATOM 11725 O6 G A 550 156.707 84.845 16.953 0.00 0.00 O ATOM 11726 N1 G A 550 158.925 84.643 16.841 0.00 0.00 N ATOM 11727 C2 G A 550 160.204 85.106 16.970 0.00 0.00 C ATOM 11728 N2 G A 550 161.213 84.319 16.695 0.00 0.00 N ATOM 11729 N3 G A 550 160.526 86.332 17.350 0.00 0.00 N ATOM 11730 C4 G A 550 159.436 87.113 17.575 0.00 0.00 C ATOM 11731 P U A 551 161.482 91.433 14.074 0.00 0.00 P ATOM 11732 O1P U A 551 162.383 92.392 13.388 0.00 0.00 O ATOM 11733 O2P U A 551 160.039 91.495 13.773 0.00 0.00 O ATOM 11734 O5* U A 551 161.992 89.944 13.753 0.00 0.00 O ATOM 11735 C5* U A 551 163.353 89.556 13.845 0.00 0.00 C ATOM 11736 C4* U A 551 163.491 88.043 13.605 0.00 0.00 C ATOM 11737 O4* U A 551 162.716 87.252 14.505 0.00 0.00 O ATOM 11738 C3* U A 551 163.054 87.647 12.203 0.00 0.00 C ATOM 11739 O3* U A 551 164.055 87.977 11.260 0.00 0.00 O ATOM 11740 C2* U A 551 162.812 86.148 12.395 0.00 0.00 C ATOM 11741 O2* U A 551 164.007 85.379 12.445 0.00 0.00 O ATOM 11742 C1* U A 551 162.180 86.131 13.791 0.00 0.00 C ATOM 11743 N1 U A 551 160.687 86.144 13.727 0.00 0.00 N ATOM 11744 C2 U A 551 160.035 84.926 13.495 0.00 0.00 C ATOM 11745 O2 U A 551 160.622 83.894 13.174 0.00 0.00 O ATOM 11746 N3 U A 551 158.660 84.923 13.625 0.00 0.00 N ATOM 11747 C4 U A 551 157.862 86.007 13.911 0.00 0.00 C ATOM 11748 O4 U A 551 156.646 85.867 14.005 0.00 0.00 O ATOM 11749 C5 U A 551 158.596 87.245 14.065 0.00 0.00 C ATOM 11750 C6 U A 551 159.952 87.287 13.966 0.00 0.00 C ATOM 11751 P U A 552 163.687 88.228 9.727 0.00 0.00 P ATOM 11752 O1P U A 552 164.934 88.509 8.994 0.00 0.00 O ATOM 11753 O2P U A 552 162.573 89.208 9.705 0.00 0.00 O ATOM 11754 O5* U A 552 163.135 86.802 9.272 0.00 0.00 O ATOM 11755 C5* U A 552 164.018 85.721 9.061 0.00 0.00 C ATOM 11756 C4* U A 552 163.274 84.429 8.723 0.00 0.00 C ATOM 11757 O4* U A 552 162.438 83.962 9.775 0.00 0.00 O ATOM 11758 C3* U A 552 162.398 84.584 7.484 0.00 0.00 C ATOM 11759 O3* U A 552 163.187 84.535 6.313 0.00 0.00 O ATOM 11760 C2* U A 552 161.453 83.397 7.675 0.00 0.00 C ATOM 11761 O2* U A 552 162.089 82.185 7.314 0.00 0.00 O ATOM 11762 C1* U A 552 161.251 83.421 9.194 0.00 0.00 C ATOM 11763 N1 U A 552 160.050 84.219 9.573 0.00 0.00 N ATOM 11764 C2 U A 552 158.824 83.550 9.630 0.00 0.00 C ATOM 11765 O2 U A 552 158.683 82.380 9.287 0.00 0.00 O ATOM 11766 N3 U A 552 157.745 84.263 10.111 0.00 0.00 N ATOM 11767 C4 U A 552 157.768 85.575 10.529 0.00 0.00 C ATOM 11768 O4 U A 552 156.747 86.109 10.947 0.00 0.00 O ATOM 11769 C5 U A 552 159.058 86.219 10.407 0.00 0.00 C ATOM 11770 C6 U A 552 160.135 85.550 9.923 0.00 0.00 C ATOM 11771 P A A 553 162.676 85.172 4.945 0.00 0.00 P ATOM 11772 O1P A A 553 163.696 84.871 3.918 0.00 0.00 O ATOM 11773 O2P A A 553 162.298 86.573 5.230 0.00 0.00 O ATOM 11774 O5* A A 553 161.327 84.347 4.632 0.00 0.00 O ATOM 11775 C5* A A 553 161.357 83.023 4.128 0.00 0.00 C ATOM 11776 C4* A A 553 159.936 82.464 4.000 0.00 0.00 C ATOM 11777 O4* A A 553 159.271 82.376 5.256 0.00 0.00 O ATOM 11778 C3* A A 553 159.042 83.314 3.100 0.00 0.00 C ATOM 11779 O3* A A 553 159.334 83.098 1.728 0.00 0.00 O ATOM 11780 C2* A A 553 157.672 82.797 3.550 0.00 0.00 C ATOM 11781 O2* A A 553 157.413 81.513 2.997 0.00 0.00 O ATOM 11782 C1* A A 553 157.887 82.638 5.060 0.00 0.00 C ATOM 11783 N9 A A 553 157.514 83.846 5.837 0.00 0.00 N ATOM 11784 C8 A A 553 158.291 84.919 6.206 0.00 0.00 C ATOM 11785 N7 A A 553 157.703 85.763 7.013 0.00 0.00 N ATOM 11786 C5 A A 553 156.419 85.226 7.153 0.00 0.00 C ATOM 11787 C6 A A 553 155.252 85.614 7.853 0.00 0.00 C ATOM 11788 N6 A A 553 155.153 86.676 8.638 0.00 0.00 N ATOM 11789 N1 A A 553 154.134 84.888 7.762 0.00 0.00 N ATOM 11790 C2 A A 553 154.164 83.784 7.022 0.00 0.00 C ATOM 11791 N3 A A 553 155.187 83.281 6.335 0.00 0.00 N ATOM 11792 C4 A A 553 156.295 84.067 6.433 0.00 0.00 C ATOM 11793 P A A 554 159.014 84.206 0.616 0.00 0.00 P ATOM 11794 O1P A A 554 159.439 83.663 -0.698 0.00 0.00 O ATOM 11795 O2P A A 554 159.548 85.498 1.093 0.00 0.00 O ATOM 11796 O5* A A 554 157.406 84.287 0.656 0.00 0.00 O ATOM 11797 C5* A A 554 156.603 83.287 0.060 0.00 0.00 C ATOM 11798 C4* A A 554 155.115 83.529 0.341 0.00 0.00 C ATOM 11799 O4* A A 554 154.840 83.434 1.735 0.00 0.00 O ATOM 11800 C3* A A 554 154.610 84.898 -0.113 0.00 0.00 C ATOM 11801 O3* A A 554 154.340 84.961 -1.505 0.00 0.00 O ATOM 11802 C2* A A 554 153.364 85.031 0.768 0.00 0.00 C ATOM 11803 O2* A A 554 152.255 84.269 0.302 0.00 0.00 O ATOM 11804 C1* A A 554 153.846 84.392 2.071 0.00 0.00 C ATOM 11805 N9 A A 554 154.398 85.406 2.998 0.00 0.00 N ATOM 11806 C8 A A 554 155.658 85.956 3.055 0.00 0.00 C ATOM 11807 N7 A A 554 155.805 86.862 3.984 0.00 0.00 N ATOM 11808 C5 A A 554 154.542 86.917 4.581 0.00 0.00 C ATOM 11809 C6 A A 554 153.972 87.687 5.619 0.00 0.00 C ATOM 11810 N6 A A 554 154.633 88.613 6.294 0.00 0.00 N ATOM 11811 N1 A A 554 152.690 87.513 5.973 0.00 0.00 N ATOM 11812 C2 A A 554 151.983 86.602 5.310 0.00 0.00 C ATOM 11813 N3 A A 554 152.375 85.826 4.304 0.00 0.00 N ATOM 11814 C4 A A 554 153.684 86.031 3.990 0.00 0.00 C ATOM 11815 P U A 555 154.222 86.372 -2.268 0.00 0.00 P ATOM 11816 O1P U A 555 154.169 86.105 -3.726 0.00 0.00 O ATOM 11817 O2P U A 555 155.237 87.284 -1.703 0.00 0.00 O ATOM 11818 O5* U A 555 152.794 86.941 -1.810 0.00 0.00 O ATOM 11819 C5* U A 555 151.583 86.494 -2.380 0.00 0.00 C ATOM 11820 C4* U A 555 150.414 87.320 -1.831 0.00 0.00 C ATOM 11821 O4* U A 555 150.307 87.163 -0.417 0.00 0.00 O ATOM 11822 C3* U A 555 150.548 88.820 -2.105 0.00 0.00 C ATOM 11823 O3* U A 555 150.180 89.167 -3.438 0.00 0.00 O ATOM 11824 C2* U A 555 149.636 89.376 -1.002 0.00 0.00 C ATOM 11825 O2* U A 555 148.247 89.317 -1.304 0.00 0.00 O ATOM 11826 C1* U A 555 149.888 88.400 0.153 0.00 0.00 C ATOM 11827 N1 U A 555 150.877 88.929 1.138 0.00 0.00 N ATOM 11828 C2 U A 555 150.395 89.746 2.168 0.00 0.00 C ATOM 11829 O2 U A 555 149.231 90.137 2.225 0.00 0.00 O ATOM 11830 N3 U A 555 151.304 90.131 3.135 0.00 0.00 N ATOM 11831 C4 U A 555 152.643 89.818 3.160 0.00 0.00 C ATOM 11832 O4 U A 555 153.351 90.261 4.057 0.00 0.00 O ATOM 11833 C5 U A 555 153.082 89.008 2.043 0.00 0.00 C ATOM 11834 C6 U A 555 152.217 88.610 1.074 0.00 0.00 C ATOM 11835 P C A 556 150.741 90.496 -4.162 0.00 0.00 P ATOM 11836 O1P C A 556 150.249 90.519 -5.559 0.00 0.00 O ATOM 11837 O2P C A 556 152.192 90.585 -3.889 0.00 0.00 O ATOM 11838 O5* C A 556 150.006 91.670 -3.360 0.00 0.00 O ATOM 11839 C5* C A 556 148.650 91.996 -3.580 0.00 0.00 C ATOM 11840 C4* C A 556 148.173 93.080 -2.604 0.00 0.00 C ATOM 11841 O4* C A 556 148.135 92.625 -1.244 0.00 0.00 O ATOM 11842 C3* C A 556 149.022 94.340 -2.621 0.00 0.00 C ATOM 11843 O3* C A 556 148.693 95.190 -3.703 0.00 0.00 O ATOM 11844 C2* C A 556 148.656 94.926 -1.251 0.00 0.00 C ATOM 11845 O2* C A 556 147.385 95.560 -1.213 0.00 0.00 O ATOM 11846 C1* C A 556 148.571 93.683 -0.378 0.00 0.00 C ATOM 11847 N1 C A 556 149.897 93.427 0.261 0.00 0.00 N ATOM 11848 C2 C A 556 150.200 94.028 1.495 0.00 0.00 C ATOM 11849 O2 C A 556 149.418 94.784 2.069 0.00 0.00 O ATOM 11850 N3 C A 556 151.392 93.777 2.095 0.00 0.00 N ATOM 11851 C4 C A 556 152.250 92.942 1.521 0.00 0.00 C ATOM 11852 N4 C A 556 153.375 92.702 2.147 0.00 0.00 N ATOM 11853 C5 C A 556 151.998 92.322 0.268 0.00 0.00 C ATOM 11854 C6 C A 556 150.835 92.630 -0.349 0.00 0.00 C ATOM 11855 P G A 557 149.775 96.232 -4.270 0.00 0.00 P ATOM 11856 O1P G A 557 149.124 97.006 -5.345 0.00 0.00 O ATOM 11857 O2P G A 557 151.055 95.531 -4.496 0.00 0.00 O ATOM 11858 O5* G A 557 149.925 97.156 -2.974 0.00 0.00 O ATOM 11859 C5* G A 557 148.925 98.088 -2.613 0.00 0.00 C ATOM 11860 C4* G A 557 149.340 98.779 -1.313 0.00 0.00 C ATOM 11861 O4* G A 557 149.701 97.885 -0.264 0.00 0.00 O ATOM 11862 C3* G A 557 150.549 99.658 -1.571 0.00 0.00 C ATOM 11863 O3* G A 557 150.101 100.836 -2.209 0.00 0.00 O ATOM 11864 C2* G A 557 151.083 99.813 -0.142 0.00 0.00 C ATOM 11865 O2* G A 557 150.402 100.771 0.652 0.00 0.00 O ATOM 11866 C1* G A 557 150.770 98.458 0.485 0.00 0.00 C ATOM 11867 N9 G A 557 151.977 97.596 0.501 0.00 0.00 N ATOM 11868 C8 G A 557 152.291 96.540 -0.316 0.00 0.00 C ATOM 11869 N7 G A 557 153.396 95.927 0.009 0.00 0.00 N ATOM 11870 C5 G A 557 153.884 96.653 1.099 0.00 0.00 C ATOM 11871 C6 G A 557 155.083 96.509 1.884 0.00 0.00 C ATOM 11872 O6 G A 557 155.997 95.693 1.783 0.00 0.00 O ATOM 11873 N1 G A 557 155.224 97.478 2.865 0.00 0.00 N ATOM 11874 C2 G A 557 154.341 98.506 3.039 0.00 0.00 C ATOM 11875 N2 G A 557 154.649 99.421 3.936 0.00 0.00 N ATOM 11876 N3 G A 557 153.211 98.663 2.341 0.00 0.00 N ATOM 11877 C4 G A 557 153.033 97.701 1.383 0.00 0.00 C ATOM 11878 P G A 558 150.831 101.470 -3.495 0.00 0.00 P ATOM 11879 O1P G A 558 149.950 102.515 -4.047 0.00 0.00 O ATOM 11880 O2P G A 558 151.424 100.409 -4.354 0.00 0.00 O ATOM 11881 O5* G A 558 152.034 102.196 -2.749 0.00 0.00 O ATOM 11882 C5* G A 558 151.800 103.285 -1.883 0.00 0.00 C ATOM 11883 C4* G A 558 152.990 103.381 -0.936 0.00 0.00 C ATOM 11884 O4* G A 558 153.143 102.154 -0.220 0.00 0.00 O ATOM 11885 C3* G A 558 154.309 103.651 -1.654 0.00 0.00 C ATOM 11886 O3* G A 558 154.540 105.042 -1.847 0.00 0.00 O ATOM 11887 C2* G A 558 155.264 103.074 -0.612 0.00 0.00 C ATOM 11888 O2* G A 558 155.382 103.910 0.516 0.00 0.00 O ATOM 11889 C1* G A 558 154.527 101.854 -0.075 0.00 0.00 C ATOM 11890 N9 G A 558 154.928 100.603 -0.763 0.00 0.00 N ATOM 11891 C8 G A 558 154.439 100.076 -1.932 0.00 0.00 C ATOM 11892 N7 G A 558 154.973 98.935 -2.268 0.00 0.00 N ATOM 11893 C5 G A 558 155.890 98.673 -1.247 0.00 0.00 C ATOM 11894 C6 G A 558 156.780 97.560 -1.039 0.00 0.00 C ATOM 11895 O6 G A 558 156.975 96.563 -1.731 0.00 0.00 O ATOM 11896 N1 G A 558 157.515 97.652 0.130 0.00 0.00 N ATOM 11897 C2 G A 558 157.430 98.703 0.994 0.00 0.00 C ATOM 11898 N2 G A 558 158.134 98.584 2.102 0.00 0.00 N ATOM 11899 N3 G A 558 156.631 99.769 0.826 0.00 0.00 N ATOM 11900 C4 G A 558 155.873 99.694 -0.318 0.00 0.00 C ATOM 11901 P A A 559 154.875 105.703 -3.283 0.00 0.00 P ATOM 11902 O1P A A 559 156.257 106.211 -3.240 0.00 0.00 O ATOM 11903 O2P A A 559 153.748 106.633 -3.551 0.00 0.00 O ATOM 11904 O5* A A 559 154.839 104.481 -4.337 0.00 0.00 O ATOM 11905 C5* A A 559 155.060 104.613 -5.738 0.00 0.00 C ATOM 11906 C4* A A 559 154.763 103.284 -6.471 0.00 0.00 C ATOM 11907 O4* A A 559 155.931 102.466 -6.415 0.00 0.00 O ATOM 11908 C3* A A 559 153.602 102.460 -5.861 0.00 0.00 C ATOM 11909 O3* A A 559 152.293 102.583 -6.445 0.00 0.00 O ATOM 11910 C2* A A 559 154.231 101.064 -5.671 0.00 0.00 C ATOM 11911 O2* A A 559 153.521 99.949 -6.158 0.00 0.00 O ATOM 11912 C1* A A 559 155.552 101.104 -6.402 0.00 0.00 C ATOM 11913 N9 A A 559 156.530 100.197 -5.731 0.00 0.00 N ATOM 11914 C8 A A 559 156.877 98.920 -6.106 0.00 0.00 C ATOM 11915 N7 A A 559 157.774 98.349 -5.348 0.00 0.00 N ATOM 11916 C5 A A 559 157.991 99.297 -4.344 0.00 0.00 C ATOM 11917 C6 A A 559 158.826 99.347 -3.199 0.00 0.00 C ATOM 11918 N6 A A 559 159.718 98.421 -2.867 0.00 0.00 N ATOM 11919 N1 A A 559 158.799 100.396 -2.373 0.00 0.00 N ATOM 11920 C2 A A 559 157.972 101.392 -2.680 0.00 0.00 C ATOM 11921 N3 A A 559 157.137 101.487 -3.712 0.00 0.00 N ATOM 11922 C4 A A 559 157.200 100.402 -4.537 0.00 0.00 C ATOM 11923 P A A 560 151.861 102.313 -7.975 0.00 0.00 P ATOM 11924 O1P A A 560 150.387 102.343 -8.127 0.00 0.00 O ATOM 11925 O2P A A 560 152.602 101.157 -8.507 0.00 0.00 O ATOM 11926 O5* A A 560 152.393 103.588 -8.753 0.00 0.00 O ATOM 11927 C5* A A 560 153.162 103.444 -9.927 0.00 0.00 C ATOM 11928 C4* A A 560 153.337 104.809 -10.591 0.00 0.00 C ATOM 11929 O4* A A 560 152.077 105.293 -11.021 0.00 0.00 O ATOM 11930 C3* A A 560 153.896 105.852 -9.626 0.00 0.00 C ATOM 11931 O3* A A 560 155.263 105.734 -9.212 0.00 0.00 O ATOM 11932 C2* A A 560 153.390 107.149 -10.276 0.00 0.00 C ATOM 11933 O2* A A 560 154.034 107.611 -11.448 0.00 0.00 O ATOM 11934 C1* A A 560 152.025 106.690 -10.789 0.00 0.00 C ATOM 11935 N9 A A 560 150.922 107.020 -9.865 0.00 0.00 N ATOM 11936 C8 A A 560 150.363 106.285 -8.847 0.00 0.00 C ATOM 11937 N7 A A 560 149.259 106.795 -8.369 0.00 0.00 N ATOM 11938 C5 A A 560 149.094 107.964 -9.114 0.00 0.00 C ATOM 11939 C6 A A 560 148.118 108.984 -9.160 0.00 0.00 C ATOM 11940 N6 A A 560 147.008 108.997 -8.438 0.00 0.00 N ATOM 11941 N1 A A 560 148.268 110.040 -9.962 0.00 0.00 N ATOM 11942 C2 A A 560 149.344 110.073 -10.739 0.00 0.00 C ATOM 11943 N3 A A 560 150.326 109.181 -10.829 0.00 0.00 N ATOM 11944 C4 A A 560 150.136 108.136 -9.981 0.00 0.00 C ATOM 11945 P U A 561 156.509 105.297 -10.151 0.00 0.00 P ATOM 11946 O1P U A 561 157.733 105.275 -9.322 0.00 0.00 O ATOM 11947 O2P U A 561 156.483 106.137 -11.362 0.00 0.00 O ATOM 11948 O5* U A 561 156.210 103.756 -10.567 0.00 0.00 O ATOM 11949 C5* U A 561 156.163 103.321 -11.925 0.00 0.00 C ATOM 11950 C4* U A 561 156.391 101.811 -12.067 0.00 0.00 C ATOM 11951 O4* U A 561 157.751 101.590 -11.743 0.00 0.00 O ATOM 11952 C3* U A 561 155.527 100.881 -11.187 0.00 0.00 C ATOM 11953 O3* U A 561 155.326 99.682 -11.916 0.00 0.00 O ATOM 11954 C2* U A 561 156.467 100.674 -9.996 0.00 0.00 C ATOM 11955 O2* U A 561 156.243 99.511 -9.215 0.00 0.00 O ATOM 11956 C1* U A 561 157.813 100.628 -10.714 0.00 0.00 C ATOM 11957 N1 U A 561 158.923 100.904 -9.773 0.00 0.00 N ATOM 11958 C2 U A 561 159.658 99.818 -9.302 0.00 0.00 C ATOM 11959 O2 U A 561 159.373 98.658 -9.598 0.00 0.00 O ATOM 11960 N3 U A 561 160.687 100.097 -8.423 0.00 0.00 N ATOM 11961 C4 U A 561 160.954 101.346 -7.880 0.00 0.00 C ATOM 11962 O4 U A 561 161.844 101.509 -7.056 0.00 0.00 O ATOM 11963 C5 U A 561 160.079 102.400 -8.339 0.00 0.00 C ATOM 11964 C6 U A 561 159.117 102.166 -9.263 0.00 0.00 C ATOM 11965 P U A 562 154.001 98.781 -11.769 0.00 0.00 P ATOM 11966 O1P U A 562 153.529 98.770 -10.361 0.00 0.00 O ATOM 11967 O2P U A 562 154.270 97.500 -12.456 0.00 0.00 O ATOM 11968 O5* U A 562 152.925 99.610 -12.647 0.00 0.00 O ATOM 11969 C5* U A 562 153.068 99.776 -14.052 0.00 0.00 C ATOM 11970 C4* U A 562 151.872 99.258 -14.886 0.00 0.00 C ATOM 11971 O4* U A 562 152.376 98.727 -16.112 0.00 0.00 O ATOM 11972 C3* U A 562 151.060 98.115 -14.256 0.00 0.00 C ATOM 11973 O3* U A 562 149.758 98.013 -14.837 0.00 0.00 O ATOM 11974 C2* U A 562 151.871 96.898 -14.680 0.00 0.00 C ATOM 11975 O2* U A 562 151.060 95.736 -14.538 0.00 0.00 O ATOM 11976 C1* U A 562 152.267 97.307 -16.118 0.00 0.00 C ATOM 11977 N1 U A 562 153.540 96.732 -16.662 0.00 0.00 N ATOM 11978 C2 U A 562 153.552 96.204 -17.966 0.00 0.00 C ATOM 11979 O2 U A 562 152.564 96.163 -18.697 0.00 0.00 O ATOM 11980 N3 U A 562 154.757 95.696 -18.439 0.00 0.00 N ATOM 11981 C4 U A 562 155.937 95.645 -17.719 0.00 0.00 C ATOM 11982 O4 U A 562 156.917 95.040 -18.157 0.00 0.00 O ATOM 11983 C5 U A 562 155.875 96.289 -16.427 0.00 0.00 C ATOM 11984 C6 U A 562 154.713 96.797 -15.940 0.00 0.00 C ATOM 11985 P A A 563 148.503 98.766 -14.196 0.00 0.00 P ATOM 11986 O1P A A 563 148.594 98.640 -12.731 0.00 0.00 O ATOM 11987 O2P A A 563 147.295 98.293 -14.907 0.00 0.00 O ATOM 11988 O5* A A 563 148.819 100.272 -14.619 0.00 0.00 O ATOM 11989 C5* A A 563 148.112 101.374 -14.089 0.00 0.00 C ATOM 11990 C4* A A 563 148.685 102.665 -14.683 0.00 0.00 C ATOM 11991 O4* A A 563 150.026 102.874 -14.291 0.00 0.00 O ATOM 11992 C3* A A 563 148.752 102.661 -16.209 0.00 0.00 C ATOM 11993 O3* A A 563 147.461 102.851 -16.753 0.00 0.00 O ATOM 11994 C2* A A 563 149.785 103.769 -16.490 0.00 0.00 C ATOM 11995 O2* A A 563 149.256 105.057 -16.730 0.00 0.00 O ATOM 11996 C1* A A 563 150.517 103.886 -15.147 0.00 0.00 C ATOM 11997 N9 A A 563 151.989 103.815 -15.210 0.00 0.00 N ATOM 11998 C8 A A 563 152.870 104.577 -14.486 0.00 0.00 C ATOM 11999 N7 A A 563 154.124 104.291 -14.689 0.00 0.00 N ATOM 12000 C5 A A 563 154.065 103.262 -15.626 0.00 0.00 C ATOM 12001 C6 A A 563 155.048 102.475 -16.257 0.00 0.00 C ATOM 12002 N6 A A 563 156.341 102.608 -16.018 0.00 0.00 N ATOM 12003 N1 A A 563 154.693 101.512 -17.118 0.00 0.00 N ATOM 12004 C2 A A 563 153.398 101.325 -17.349 0.00 0.00 C ATOM 12005 N3 A A 563 152.372 101.991 -16.833 0.00 0.00 N ATOM 12006 C4 A A 563 152.771 102.959 -15.959 0.00 0.00 C ATOM 12007 P C A 564 147.113 102.465 -18.264 0.00 0.00 P ATOM 12008 O1P C A 564 147.645 101.114 -18.564 0.00 0.00 O ATOM 12009 O2P C A 564 147.568 103.599 -19.093 0.00 0.00 O ATOM 12010 O5* C A 564 145.495 102.428 -18.133 0.00 0.00 O ATOM 12011 C5* C A 564 144.604 103.052 -19.048 0.00 0.00 C ATOM 12012 C4* C A 564 143.280 103.447 -18.362 0.00 0.00 C ATOM 12013 O4* C A 564 142.663 102.356 -17.680 0.00 0.00 O ATOM 12014 C3* C A 564 143.463 104.553 -17.331 0.00 0.00 C ATOM 12015 O3* C A 564 143.460 105.839 -17.923 0.00 0.00 O ATOM 12016 C2* C A 564 142.263 104.328 -16.410 0.00 0.00 C ATOM 12017 O2* C A 564 141.052 104.887 -16.900 0.00 0.00 O ATOM 12018 C1* C A 564 142.098 102.808 -16.449 0.00 0.00 C ATOM 12019 N1 C A 564 142.707 102.142 -15.255 0.00 0.00 N ATOM 12020 C2 C A 564 142.011 102.176 -14.035 0.00 0.00 C ATOM 12021 O2 C A 564 140.973 102.822 -13.920 0.00 0.00 O ATOM 12022 N3 C A 564 142.450 101.461 -12.960 0.00 0.00 N ATOM 12023 C4 C A 564 143.553 100.730 -13.093 0.00 0.00 C ATOM 12024 N4 C A 564 143.935 100.035 -12.046 0.00 0.00 N ATOM 12025 C5 C A 564 144.296 100.663 -14.310 0.00 0.00 C ATOM 12026 C6 C A 564 143.848 101.386 -15.364 0.00 0.00 C ATOM 12027 P U A 565 144.291 107.032 -17.279 0.00 0.00 P ATOM 12028 O1P U A 565 144.084 108.233 -18.120 0.00 0.00 O ATOM 12029 O2P U A 565 145.687 106.566 -17.148 0.00 0.00 O ATOM 12030 O5* U A 565 143.727 107.278 -15.802 0.00 0.00 O ATOM 12031 C5* U A 565 142.521 107.980 -15.573 0.00 0.00 C ATOM 12032 C4* U A 565 142.104 107.870 -14.101 0.00 0.00 C ATOM 12033 O4* U A 565 141.899 106.498 -13.775 0.00 0.00 O ATOM 12034 C3* U A 565 143.119 108.401 -13.081 0.00 0.00 C ATOM 12035 O3* U A 565 143.174 109.831 -12.954 0.00 0.00 O ATOM 12036 C2* U A 565 142.621 107.662 -11.833 0.00 0.00 C ATOM 12037 O2* U A 565 141.457 108.267 -11.282 0.00 0.00 O ATOM 12038 C1* U A 565 142.197 106.295 -12.399 0.00 0.00 C ATOM 12039 N1 U A 565 143.222 105.225 -12.203 0.00 0.00 N ATOM 12040 C2 U A 565 143.142 104.448 -11.041 0.00 0.00 C ATOM 12041 O2 U A 565 142.281 104.623 -10.180 0.00 0.00 O ATOM 12042 N3 U A 565 144.101 103.465 -10.866 0.00 0.00 N ATOM 12043 C4 U A 565 145.138 103.198 -11.735 0.00 0.00 C ATOM 12044 O4 U A 565 145.963 102.338 -11.457 0.00 0.00 O ATOM 12045 C5 U A 565 145.130 104.003 -12.936 0.00 0.00 C ATOM 12046 C6 U A 565 144.204 104.976 -13.138 0.00 0.00 C ATOM 12047 P G A 566 144.489 110.572 -12.355 0.00 0.00 P ATOM 12048 O1P G A 566 144.827 110.006 -11.033 0.00 0.00 O ATOM 12049 O2P G A 566 144.408 112.049 -12.496 0.00 0.00 O ATOM 12050 O5* G A 566 145.505 109.992 -13.457 0.00 0.00 O ATOM 12051 C5* G A 566 146.756 110.575 -13.754 0.00 0.00 C ATOM 12052 C4* G A 566 147.759 109.458 -14.065 0.00 0.00 C ATOM 12053 O4* G A 566 147.997 108.754 -12.859 0.00 0.00 O ATOM 12054 C3* G A 566 147.271 108.443 -15.121 0.00 0.00 C ATOM 12055 O3* G A 566 148.326 108.083 -15.998 0.00 0.00 O ATOM 12056 C2* G A 566 146.837 107.275 -14.215 0.00 0.00 C ATOM 12057 O2* G A 566 146.922 105.966 -14.726 0.00 0.00 O ATOM 12058 C1* G A 566 147.816 107.377 -13.075 0.00 0.00 C ATOM 12059 N9 G A 566 147.291 106.719 -11.867 0.00 0.00 N ATOM 12060 C8 G A 566 146.231 107.088 -11.081 0.00 0.00 C ATOM 12061 N7 G A 566 146.035 106.323 -10.039 0.00 0.00 N ATOM 12062 C5 G A 566 147.052 105.372 -10.156 0.00 0.00 C ATOM 12063 C6 G A 566 147.412 104.286 -9.297 0.00 0.00 C ATOM 12064 O6 G A 566 146.870 103.946 -8.248 0.00 0.00 O ATOM 12065 N1 G A 566 148.513 103.579 -9.752 0.00 0.00 N ATOM 12066 C2 G A 566 149.118 103.802 -10.953 0.00 0.00 C ATOM 12067 N2 G A 566 150.010 102.921 -11.345 0.00 0.00 N ATOM 12068 N3 G A 566 148.814 104.808 -11.775 0.00 0.00 N ATOM 12069 C4 G A 566 147.788 105.575 -11.302 0.00 0.00 C ATOM 12070 P G A 567 148.903 109.073 -17.127 0.00 0.00 P ATOM 12071 O1P G A 567 148.805 110.481 -16.683 0.00 0.00 O ATOM 12072 O2P G A 567 148.313 108.702 -18.434 0.00 0.00 O ATOM 12073 O5* G A 567 150.438 108.644 -17.112 0.00 0.00 O ATOM 12074 C5* G A 567 151.243 108.918 -15.979 0.00 0.00 C ATOM 12075 C4* G A 567 152.686 108.484 -16.216 0.00 0.00 C ATOM 12076 O4* G A 567 152.788 107.068 -16.233 0.00 0.00 O ATOM 12077 C3* G A 567 153.234 108.961 -17.557 0.00 0.00 C ATOM 12078 O3* G A 567 153.541 110.352 -17.579 0.00 0.00 O ATOM 12079 C2* G A 567 154.415 107.999 -17.693 0.00 0.00 C ATOM 12080 O2* G A 567 155.547 108.400 -16.933 0.00 0.00 O ATOM 12081 C1* G A 567 153.886 106.710 -17.059 0.00 0.00 C ATOM 12082 N9 G A 567 153.461 105.724 -18.082 0.00 0.00 N ATOM 12083 C8 G A 567 152.197 105.435 -18.531 0.00 0.00 C ATOM 12084 N7 G A 567 152.145 104.479 -19.424 0.00 0.00 N ATOM 12085 C5 G A 567 153.480 104.102 -19.577 0.00 0.00 C ATOM 12086 C6 G A 567 154.087 103.090 -20.399 0.00 0.00 C ATOM 12087 O6 G A 567 153.554 102.286 -21.165 0.00 0.00 O ATOM 12088 N1 G A 567 155.461 103.026 -20.266 0.00 0.00 N ATOM 12089 C2 G A 567 156.174 103.813 -19.409 0.00 0.00 C ATOM 12090 N2 G A 567 157.476 103.657 -19.379 0.00 0.00 N ATOM 12091 N3 G A 567 155.645 104.765 -18.638 0.00 0.00 N ATOM 12092 C4 G A 567 154.290 104.861 -18.761 0.00 0.00 C ATOM 12093 P G A 568 153.893 111.118 -18.949 0.00 0.00 P ATOM 12094 O1P G A 568 154.009 112.569 -18.693 0.00 0.00 O ATOM 12095 O2P G A 568 152.953 110.640 -20.000 0.00 0.00 O ATOM 12096 O5* G A 568 155.357 110.545 -19.285 0.00 0.00 O ATOM 12097 C5* G A 568 155.833 110.371 -20.608 0.00 0.00 C ATOM 12098 C4* G A 568 156.801 109.193 -20.589 0.00 0.00 C ATOM 12099 O4* G A 568 156.076 107.989 -20.401 0.00 0.00 O ATOM 12100 C3* G A 568 157.551 108.967 -21.893 0.00 0.00 C ATOM 12101 O3* G A 568 158.612 109.896 -22.085 0.00 0.00 O ATOM 12102 C2* G A 568 157.981 107.518 -21.650 0.00 0.00 C ATOM 12103 O2* G A 568 158.948 107.426 -20.616 0.00 0.00 O ATOM 12104 C1* G A 568 156.730 106.900 -21.022 0.00 0.00 C ATOM 12105 N9 G A 568 155.736 106.256 -21.921 0.00 0.00 N ATOM 12106 C8 G A 568 154.371 106.416 -21.905 0.00 0.00 C ATOM 12107 N7 G A 568 153.714 105.661 -22.742 0.00 0.00 N ATOM 12108 C5 G A 568 154.717 104.891 -23.334 0.00 0.00 C ATOM 12109 C6 G A 568 154.646 103.831 -24.304 0.00 0.00 C ATOM 12110 O6 G A 568 153.663 103.320 -24.847 0.00 0.00 O ATOM 12111 N1 G A 568 155.883 103.347 -24.662 0.00 0.00 N ATOM 12112 C2 G A 568 157.050 103.763 -24.102 0.00 0.00 C ATOM 12113 N2 G A 568 158.145 103.243 -24.583 0.00 0.00 N ATOM 12114 N3 G A 568 157.157 104.704 -23.166 0.00 0.00 N ATOM 12115 C4 G A 568 155.954 105.248 -22.831 0.00 0.00 C ATOM 12116 P C A 569 158.809 110.640 -23.500 0.00 0.00 P ATOM 12117 O1P C A 569 159.755 111.764 -23.380 0.00 0.00 O ATOM 12118 O2P C A 569 157.479 110.895 -24.086 0.00 0.00 O ATOM 12119 O5* C A 569 159.524 109.558 -24.434 0.00 0.00 O ATOM 12120 C5* C A 569 160.849 109.113 -24.190 0.00 0.00 C ATOM 12121 C4* C A 569 161.247 108.042 -25.219 0.00 0.00 C ATOM 12122 O4* C A 569 160.439 106.888 -25.002 0.00 0.00 O ATOM 12123 C3* C A 569 161.055 108.433 -26.688 0.00 0.00 C ATOM 12124 O3* C A 569 162.148 109.124 -27.281 0.00 0.00 O ATOM 12125 C2* C A 569 160.803 107.059 -27.332 0.00 0.00 C ATOM 12126 O2* C A 569 161.953 106.263 -27.578 0.00 0.00 O ATOM 12127 C1* C A 569 160.061 106.295 -26.239 0.00 0.00 C ATOM 12128 N1 C A 569 158.580 106.289 -26.424 0.00 0.00 N ATOM 12129 C2 C A 569 158.003 105.401 -27.351 0.00 0.00 C ATOM 12130 O2 C A 569 158.695 104.680 -28.080 0.00 0.00 O ATOM 12131 N3 C A 569 156.647 105.335 -27.466 0.00 0.00 N ATOM 12132 C4 C A 569 155.891 106.129 -26.715 0.00 0.00 C ATOM 12133 N4 C A 569 154.590 106.025 -26.826 0.00 0.00 N ATOM 12134 C5 C A 569 156.426 107.052 -25.777 0.00 0.00 C ATOM 12135 C6 C A 569 157.772 107.097 -25.657 0.00 0.00 C ATOM 12136 P G A 570 162.136 110.724 -27.438 0.00 0.00 P ATOM 12137 O1P G A 570 162.147 111.321 -26.091 0.00 0.00 O ATOM 12138 O2P G A 570 160.958 111.083 -28.256 0.00 0.00 O ATOM 12139 O5* G A 570 163.495 111.169 -28.178 0.00 0.00 O ATOM 12140 C5* G A 570 163.861 110.645 -29.442 0.00 0.00 C ATOM 12141 C4* G A 570 165.143 111.296 -29.990 0.00 0.00 C ATOM 12142 O4* G A 570 164.977 112.690 -30.213 0.00 0.00 O ATOM 12143 C3* G A 570 166.368 111.119 -29.095 0.00 0.00 C ATOM 12144 O3* G A 570 167.125 110.003 -29.498 0.00 0.00 O ATOM 12145 C2* G A 570 167.166 112.401 -29.340 0.00 0.00 C ATOM 12146 O2* G A 570 168.023 112.357 -30.483 0.00 0.00 O ATOM 12147 C1* G A 570 166.055 113.412 -29.634 0.00 0.00 C ATOM 12148 N9 G A 570 165.560 114.161 -28.453 0.00 0.00 N ATOM 12149 C8 G A 570 164.264 114.410 -28.079 0.00 0.00 C ATOM 12150 N7 G A 570 164.140 115.261 -27.095 0.00 0.00 N ATOM 12151 C5 G A 570 165.457 115.600 -26.777 0.00 0.00 C ATOM 12152 C6 G A 570 166.006 116.504 -25.800 0.00 0.00 C ATOM 12153 O6 G A 570 165.431 117.224 -24.982 0.00 0.00 O ATOM 12154 N1 G A 570 167.392 116.555 -25.826 0.00 0.00 N ATOM 12155 C2 G A 570 168.163 115.842 -26.701 0.00 0.00 C ATOM 12156 N2 G A 570 169.469 115.922 -26.613 0.00 0.00 N ATOM 12157 N3 G A 570 167.688 115.016 -27.626 0.00 0.00 N ATOM 12158 C4 G A 570 166.327 114.930 -27.613 0.00 0.00 C ATOM 12159 P U A 571 167.213 108.669 -28.647 0.00 0.00 P ATOM 12160 O1P U A 571 167.600 107.631 -29.634 0.00 0.00 O ATOM 12161 O2P U A 571 165.982 108.535 -27.844 0.00 0.00 O ATOM 12162 O5* U A 571 168.439 109.051 -27.676 0.00 0.00 O ATOM 12163 C5* U A 571 169.758 109.118 -28.174 0.00 0.00 C ATOM 12164 C4* U A 571 170.655 110.022 -27.335 0.00 0.00 C ATOM 12165 O4* U A 571 170.225 111.387 -27.366 0.00 0.00 O ATOM 12166 C3* U A 571 170.810 109.630 -25.863 0.00 0.00 C ATOM 12167 O3* U A 571 171.733 108.572 -25.637 0.00 0.00 O ATOM 12168 C2* U A 571 171.398 110.962 -25.387 0.00 0.00 C ATOM 12169 O2* U A 571 172.714 111.139 -25.902 0.00 0.00 O ATOM 12170 C1* U A 571 170.520 111.988 -26.105 0.00 0.00 C ATOM 12171 N1 U A 571 169.268 112.367 -25.375 0.00 0.00 N ATOM 12172 C2 U A 571 169.350 113.380 -24.412 0.00 0.00 C ATOM 12173 O2 U A 571 170.408 113.880 -24.047 0.00 0.00 O ATOM 12174 N3 U A 571 168.159 113.850 -23.890 0.00 0.00 N ATOM 12175 C4 U A 571 166.898 113.448 -24.257 0.00 0.00 C ATOM 12176 O4 U A 571 165.924 113.991 -23.746 0.00 0.00 O ATOM 12177 C5 U A 571 166.884 112.386 -25.239 0.00 0.00 C ATOM 12178 C6 U A 571 168.034 111.877 -25.753 0.00 0.00 C ATOM 12179 P A A 572 171.324 107.079 -25.185 0.00 0.00 P ATOM 12180 O1P A A 572 172.506 106.220 -25.388 0.00 0.00 O ATOM 12181 O2P A A 572 170.046 106.661 -25.804 0.00 0.00 O ATOM 12182 O5* A A 572 171.079 107.210 -23.593 0.00 0.00 O ATOM 12183 C5* A A 572 169.951 107.885 -23.060 0.00 0.00 C ATOM 12184 C4* A A 572 169.790 107.605 -21.561 0.00 0.00 C ATOM 12185 O4* A A 572 168.943 108.574 -20.964 0.00 0.00 O ATOM 12186 C3* A A 572 169.101 106.293 -21.229 0.00 0.00 C ATOM 12187 O3* A A 572 169.969 105.185 -21.403 0.00 0.00 O ATOM 12188 C2* A A 572 168.673 106.530 -19.776 0.00 0.00 C ATOM 12189 O2* A A 572 169.696 106.151 -18.860 0.00 0.00 O ATOM 12190 C1* A A 572 168.510 108.061 -19.714 0.00 0.00 C ATOM 12191 N9 A A 572 167.149 108.594 -19.426 0.00 0.00 N ATOM 12192 C8 A A 572 165.922 108.202 -19.913 0.00 0.00 C ATOM 12193 N7 A A 572 164.928 108.987 -19.580 0.00 0.00 N ATOM 12194 C5 A A 572 165.546 109.977 -18.804 0.00 0.00 C ATOM 12195 C6 A A 572 165.106 111.165 -18.162 0.00 0.00 C ATOM 12196 N6 A A 572 163.868 111.635 -18.212 0.00 0.00 N ATOM 12197 N1 A A 572 165.954 111.926 -17.453 0.00 0.00 N ATOM 12198 C2 A A 572 167.227 111.534 -17.405 0.00 0.00 C ATOM 12199 N3 A A 572 167.787 110.470 -17.978 0.00 0.00 N ATOM 12200 C4 A A 572 166.887 109.722 -18.677 0.00 0.00 C ATOM 12201 P A A 573 169.631 104.045 -22.465 0.00 0.00 P ATOM 12202 O1P A A 573 170.875 103.441 -22.975 0.00 0.00 O ATOM 12203 O2P A A 573 168.675 104.596 -23.445 0.00 0.00 O ATOM 12204 O5* A A 573 168.845 102.984 -21.557 0.00 0.00 O ATOM 12205 C5* A A 573 168.913 101.588 -21.793 0.00 0.00 C ATOM 12206 C4* A A 573 167.521 101.025 -22.073 0.00 0.00 C ATOM 12207 O4* A A 573 166.625 101.295 -21.005 0.00 0.00 O ATOM 12208 C3* A A 573 166.917 101.572 -23.365 0.00 0.00 C ATOM 12209 O3* A A 573 167.444 100.833 -24.466 0.00 0.00 O ATOM 12210 C2* A A 573 165.437 101.326 -23.057 0.00 0.00 C ATOM 12211 O2* A A 573 165.103 99.970 -23.309 0.00 0.00 O ATOM 12212 C1* A A 573 165.336 101.532 -21.538 0.00 0.00 C ATOM 12213 N9 A A 573 164.911 102.886 -21.102 0.00 0.00 N ATOM 12214 C8 A A 573 165.697 103.994 -20.896 0.00 0.00 C ATOM 12215 N7 A A 573 165.111 104.962 -20.244 0.00 0.00 N ATOM 12216 C5 A A 573 163.826 104.462 -20.009 0.00 0.00 C ATOM 12217 C6 A A 573 162.687 104.946 -19.316 0.00 0.00 C ATOM 12218 N6 A A 573 162.614 106.109 -18.682 0.00 0.00 N ATOM 12219 N1 A A 573 161.587 104.190 -19.238 0.00 0.00 N ATOM 12220 C2 A A 573 161.586 103.003 -19.837 0.00 0.00 C ATOM 12221 N3 A A 573 162.570 102.420 -20.528 0.00 0.00 N ATOM 12222 C4 A A 573 163.685 103.211 -20.562 0.00 0.00 C ATOM 12223 P A A 574 167.467 101.392 -25.971 0.00 0.00 P ATOM 12224 O1P A A 574 167.932 100.278 -26.846 0.00 0.00 O ATOM 12225 O2P A A 574 168.204 102.682 -25.967 0.00 0.00 O ATOM 12226 O5* A A 574 165.897 101.651 -26.260 0.00 0.00 O ATOM 12227 C5* A A 574 165.032 100.555 -26.522 0.00 0.00 C ATOM 12228 C4* A A 574 163.554 100.954 -26.564 0.00 0.00 C ATOM 12229 O4* A A 574 163.110 101.550 -25.357 0.00 0.00 O ATOM 12230 C3* A A 574 163.240 101.925 -27.687 0.00 0.00 C ATOM 12231 O3* A A 574 163.089 101.203 -28.901 0.00 0.00 O ATOM 12232 C2* A A 574 161.927 102.527 -27.177 0.00 0.00 C ATOM 12233 O2* A A 574 160.833 101.682 -27.527 0.00 0.00 O ATOM 12234 C1* A A 574 162.099 102.500 -25.647 0.00 0.00 C ATOM 12235 N9 A A 574 162.524 103.765 -24.996 0.00 0.00 N ATOM 12236 C8 A A 574 163.691 104.474 -25.166 0.00 0.00 C ATOM 12237 N7 A A 574 163.852 105.457 -24.320 0.00 0.00 N ATOM 12238 C5 A A 574 162.694 105.414 -23.544 0.00 0.00 C ATOM 12239 C6 A A 574 162.192 106.194 -22.473 0.00 0.00 C ATOM 12240 N6 A A 574 162.831 107.218 -21.927 0.00 0.00 N ATOM 12241 N1 A A 574 161.008 105.912 -21.915 0.00 0.00 N ATOM 12242 C2 A A 574 160.351 104.854 -22.383 0.00 0.00 C ATOM 12243 N3 A A 574 160.689 104.031 -23.382 0.00 0.00 N ATOM 12244 C4 A A 574 161.887 104.378 -23.936 0.00 0.00 C ATOM 12245 P G A 575 163.934 101.578 -30.189 0.00 0.00 P ATOM 12246 O1P G A 575 163.490 100.621 -31.225 0.00 0.00 O ATOM 12247 O2P G A 575 165.345 101.511 -29.781 0.00 0.00 O ATOM 12248 O5* G A 575 163.454 103.084 -30.490 0.00 0.00 O ATOM 12249 C5* G A 575 162.103 103.403 -30.781 0.00 0.00 C ATOM 12250 C4* G A 575 161.814 103.219 -32.269 0.00 0.00 C ATOM 12251 O4* G A 575 160.407 103.368 -32.449 0.00 0.00 O ATOM 12252 C3* G A 575 162.557 104.272 -33.108 0.00 0.00 C ATOM 12253 O3* G A 575 163.466 103.762 -34.099 0.00 0.00 O ATOM 12254 C2* G A 575 161.447 105.269 -33.456 0.00 0.00 C ATOM 12255 O2* G A 575 161.498 105.797 -34.753 0.00 0.00 O ATOM 12256 C1* G A 575 160.132 104.520 -33.237 0.00 0.00 C ATOM 12257 N9 G A 575 159.019 105.316 -32.632 0.00 0.00 N ATOM 12258 C8 G A 575 159.024 106.358 -31.731 0.00 0.00 C ATOM 12259 N7 G A 575 157.836 106.763 -31.348 0.00 0.00 N ATOM 12260 C5 G A 575 156.967 105.928 -32.053 0.00 0.00 C ATOM 12261 C6 G A 575 155.528 105.841 -32.064 0.00 0.00 C ATOM 12262 O6 G A 575 154.713 106.478 -31.401 0.00 0.00 O ATOM 12263 N1 G A 575 155.048 104.924 -32.985 0.00 0.00 N ATOM 12264 C2 G A 575 155.866 104.147 -33.753 0.00 0.00 C ATOM 12265 N2 G A 575 155.337 103.277 -34.562 0.00 0.00 N ATOM 12266 N3 G A 575 157.189 104.174 -33.743 0.00 0.00 N ATOM 12267 C4 G A 575 157.688 105.094 -32.879 0.00 0.00 C ATOM 12268 P C A 576 163.152 102.865 -35.413 0.00 0.00 P ATOM 12269 O1P C A 576 164.360 102.026 -35.597 0.00 0.00 O ATOM 12270 O2P C A 576 162.748 103.730 -36.547 0.00 0.00 O ATOM 12271 O5* C A 576 161.941 101.856 -35.027 0.00 0.00 O ATOM 12272 C5* C A 576 162.174 100.583 -34.416 0.00 0.00 C ATOM 12273 C4* C A 576 161.616 99.433 -35.248 0.00 0.00 C ATOM 12274 O4* C A 576 160.206 99.433 -35.056 0.00 0.00 O ATOM 12275 C3* C A 576 161.920 99.520 -36.753 0.00 0.00 C ATOM 12276 O3* C A 576 162.444 98.298 -37.223 0.00 0.00 O ATOM 12277 C2* C A 576 160.531 99.756 -37.337 0.00 0.00 C ATOM 12278 O2* C A 576 160.255 99.145 -38.586 0.00 0.00 O ATOM 12279 C1* C A 576 159.612 99.154 -36.297 0.00 0.00 C ATOM 12280 N1 C A 576 158.251 99.733 -36.441 0.00 0.00 N ATOM 12281 C2 C A 576 157.273 98.964 -37.078 0.00 0.00 C ATOM 12282 O2 C A 576 157.546 97.827 -37.479 0.00 0.00 O ATOM 12283 N3 C A 576 156.044 99.495 -37.309 0.00 0.00 N ATOM 12284 C4 C A 576 155.830 100.772 -37.047 0.00 0.00 C ATOM 12285 N4 C A 576 154.601 101.188 -37.248 0.00 0.00 N ATOM 12286 C5 C A 576 156.858 101.645 -36.566 0.00 0.00 C ATOM 12287 C6 C A 576 158.043 101.075 -36.240 0.00 0.00 C ATOM 12288 P G A 577 164.002 98.161 -37.571 0.00 0.00 P ATOM 12289 O1P G A 577 164.211 96.776 -38.035 0.00 0.00 O ATOM 12290 O2P G A 577 164.785 98.721 -36.436 0.00 0.00 O ATOM 12291 O5* G A 577 164.180 99.139 -38.838 0.00 0.00 O ATOM 12292 C5* G A 577 164.874 100.372 -38.722 0.00 0.00 C ATOM 12293 C4* G A 577 165.112 101.015 -40.088 0.00 0.00 C ATOM 12294 O4* G A 577 165.832 100.119 -40.918 0.00 0.00 O ATOM 12295 C3* G A 577 163.838 101.396 -40.833 0.00 0.00 C ATOM 12296 O3* G A 577 163.380 102.680 -40.460 0.00 0.00 O ATOM 12297 C2* G A 577 164.305 101.318 -42.288 0.00 0.00 C ATOM 12298 O2* G A 577 165.066 102.433 -42.738 0.00 0.00 O ATOM 12299 C1* G A 577 165.266 100.132 -42.219 0.00 0.00 C ATOM 12300 N9 G A 577 164.591 98.851 -42.542 0.00 0.00 N ATOM 12301 C8 G A 577 164.352 97.733 -41.778 0.00 0.00 C ATOM 12302 N7 G A 577 163.750 96.765 -42.422 0.00 0.00 N ATOM 12303 C5 G A 577 163.601 97.258 -43.722 0.00 0.00 C ATOM 12304 C6 G A 577 163.043 96.681 -44.924 0.00 0.00 C ATOM 12305 O6 G A 577 162.550 95.565 -45.126 0.00 0.00 O ATOM 12306 N1 G A 577 163.090 97.555 -45.999 0.00 0.00 N ATOM 12307 C2 G A 577 163.614 98.816 -45.943 0.00 0.00 C ATOM 12308 N2 G A 577 163.527 99.572 -47.005 0.00 0.00 N ATOM 12309 N3 G A 577 164.156 99.365 -44.868 0.00 0.00 N ATOM 12310 C4 G A 577 164.117 98.537 -43.787 0.00 0.00 C ATOM 12311 P C A 578 161.827 103.035 -40.444 0.00 0.00 P ATOM 12312 O1P C A 578 161.759 104.381 -39.831 0.00 0.00 O ATOM 12313 O2P C A 578 161.110 101.874 -39.856 0.00 0.00 O ATOM 12314 O5* C A 578 161.440 103.148 -42.000 0.00 0.00 O ATOM 12315 C5* C A 578 161.859 104.228 -42.816 0.00 0.00 C ATOM 12316 C4* C A 578 161.440 104.022 -44.278 0.00 0.00 C ATOM 12317 O4* C A 578 162.086 102.884 -44.872 0.00 0.00 O ATOM 12318 C3* C A 578 159.928 103.858 -44.518 0.00 0.00 C ATOM 12319 O3* C A 578 159.176 105.072 -44.517 0.00 0.00 O ATOM 12320 C2* C A 578 160.023 103.242 -45.915 0.00 0.00 C ATOM 12321 O2* C A 578 160.402 104.261 -46.838 0.00 0.00 O ATOM 12322 C1* C A 578 161.178 102.241 -45.776 0.00 0.00 C ATOM 12323 N1 C A 578 160.743 100.893 -45.268 0.00 0.00 N ATOM 12324 C2 C A 578 160.266 99.914 -46.168 0.00 0.00 C ATOM 12325 O2 C A 578 160.149 100.139 -47.378 0.00 0.00 O ATOM 12326 N3 C A 578 159.927 98.674 -45.707 0.00 0.00 N ATOM 12327 C4 C A 578 160.034 98.407 -44.408 0.00 0.00 C ATOM 12328 N4 C A 578 159.705 97.205 -43.988 0.00 0.00 N ATOM 12329 C5 C A 578 160.532 99.349 -43.467 0.00 0.00 C ATOM 12330 C6 C A 578 160.873 100.572 -43.935 0.00 0.00 C ATOM 12331 P A A 579 157.552 105.081 -44.495 0.00 0.00 P ATOM 12332 O1P A A 579 157.083 106.481 -44.584 0.00 0.00 O ATOM 12333 O2P A A 579 157.089 104.230 -43.382 0.00 0.00 O ATOM 12334 O5* A A 579 157.091 104.335 -45.851 0.00 0.00 O ATOM 12335 C5* A A 579 156.987 105.037 -47.073 0.00 0.00 C ATOM 12336 C4* A A 579 156.894 104.093 -48.293 0.00 0.00 C ATOM 12337 O4* A A 579 157.689 102.919 -48.150 0.00 0.00 O ATOM 12338 C3* A A 579 155.467 103.631 -48.587 0.00 0.00 C ATOM 12339 O3* A A 579 154.764 104.578 -49.390 0.00 0.00 O ATOM 12340 C2* A A 579 155.707 102.293 -49.297 0.00 0.00 C ATOM 12341 O2* A A 579 155.982 102.435 -50.676 0.00 0.00 O ATOM 12342 C1* A A 579 156.976 101.780 -48.617 0.00 0.00 C ATOM 12343 N9 A A 579 156.665 100.844 -47.511 0.00 0.00 N ATOM 12344 C8 A A 579 156.826 101.016 -46.156 0.00 0.00 C ATOM 12345 N7 A A 579 156.588 99.947 -45.448 0.00 0.00 N ATOM 12346 C5 A A 579 156.215 99.002 -46.407 0.00 0.00 C ATOM 12347 C6 A A 579 155.834 97.643 -46.350 0.00 0.00 C ATOM 12348 N6 A A 579 155.772 96.956 -45.223 0.00 0.00 N ATOM 12349 N1 A A 579 155.534 96.973 -47.475 0.00 0.00 N ATOM 12350 C2 A A 579 155.564 97.643 -48.621 0.00 0.00 C ATOM 12351 N3 A A 579 155.895 98.917 -48.826 0.00 0.00 N ATOM 12352 C4 A A 579 156.230 99.545 -47.663 0.00 0.00 C ATOM 12353 P C A 580 153.175 104.779 -49.215 0.00 0.00 P ATOM 12354 O1P C A 580 152.772 105.871 -50.127 0.00 0.00 O ATOM 12355 O2P C A 580 152.892 104.895 -47.771 0.00 0.00 O ATOM 12356 O5* C A 580 152.526 103.402 -49.736 0.00 0.00 O ATOM 12357 C5* C A 580 152.243 103.141 -51.092 0.00 0.00 C ATOM 12358 C4* C A 580 151.821 101.681 -51.343 0.00 0.00 C ATOM 12359 O4* C A 580 152.816 100.770 -50.868 0.00 0.00 O ATOM 12360 C3* C A 580 150.500 101.290 -50.676 0.00 0.00 C ATOM 12361 O3* C A 580 149.324 101.730 -51.370 0.00 0.00 O ATOM 12362 C2* C A 580 150.688 99.767 -50.611 0.00 0.00 C ATOM 12363 O2* C A 580 150.480 99.079 -51.844 0.00 0.00 O ATOM 12364 C1* C A 580 152.174 99.649 -50.262 0.00 0.00 C ATOM 12365 N1 C A 580 152.360 99.585 -48.778 0.00 0.00 N ATOM 12366 C2 C A 580 152.103 98.369 -48.124 0.00 0.00 C ATOM 12367 O2 C A 580 151.677 97.379 -48.737 0.00 0.00 O ATOM 12368 N3 C A 580 152.324 98.278 -46.792 0.00 0.00 N ATOM 12369 C4 C A 580 152.791 99.311 -46.115 0.00 0.00 C ATOM 12370 N4 C A 580 153.031 99.105 -44.841 0.00 0.00 N ATOM 12371 C5 C A 580 153.015 100.581 -46.716 0.00 0.00 C ATOM 12372 C6 C A 580 152.773 100.676 -48.046 0.00 0.00 C ATOM 12373 P G A 581 148.011 102.247 -50.565 0.00 0.00 P ATOM 12374 O1P G A 581 146.965 102.695 -51.515 0.00 0.00 O ATOM 12375 O2P G A 581 148.463 103.167 -49.500 0.00 0.00 O ATOM 12376 O5* G A 581 147.433 100.908 -49.895 0.00 0.00 O ATOM 12377 C5* G A 581 146.796 99.911 -50.662 0.00 0.00 C ATOM 12378 C4* G A 581 146.833 98.527 -50.047 0.00 0.00 C ATOM 12379 O4* G A 581 148.154 98.151 -49.704 0.00 0.00 O ATOM 12380 C3* G A 581 145.940 98.414 -48.824 0.00 0.00 C ATOM 12381 O3* G A 581 144.618 98.092 -49.240 0.00 0.00 O ATOM 12382 C2* G A 581 146.714 97.347 -48.040 0.00 0.00 C ATOM 12383 O2* G A 581 146.569 96.014 -48.528 0.00 0.00 O ATOM 12384 C1* G A 581 148.159 97.743 -48.351 0.00 0.00 C ATOM 12385 N9 G A 581 148.689 98.747 -47.388 0.00 0.00 N ATOM 12386 C8 G A 581 149.006 100.089 -47.489 0.00 0.00 C ATOM 12387 N7 G A 581 149.482 100.613 -46.395 0.00 0.00 N ATOM 12388 C5 G A 581 149.534 99.538 -45.513 0.00 0.00 C ATOM 12389 C6 G A 581 150.030 99.444 -44.172 0.00 0.00 C ATOM 12390 O6 G A 581 150.476 100.321 -43.436 0.00 0.00 O ATOM 12391 N1 G A 581 150.015 98.148 -43.699 0.00 0.00 N ATOM 12392 C2 G A 581 149.606 97.060 -44.407 0.00 0.00 C ATOM 12393 N2 G A 581 149.693 95.899 -43.798 0.00 0.00 N ATOM 12394 N3 G A 581 149.078 97.119 -45.628 0.00 0.00 N ATOM 12395 C4 G A 581 149.089 98.390 -46.130 0.00 0.00 C ATOM 12396 P C A 582 143.367 98.150 -48.234 0.00 0.00 P ATOM 12397 O1P C A 582 142.134 98.188 -49.064 0.00 0.00 O ATOM 12398 O2P C A 582 143.620 99.201 -47.228 0.00 0.00 O ATOM 12399 O5* C A 582 143.480 96.710 -47.530 0.00 0.00 O ATOM 12400 C5* C A 582 143.148 95.527 -48.235 0.00 0.00 C ATOM 12401 C4* C A 582 143.112 94.310 -47.309 0.00 0.00 C ATOM 12402 O4* C A 582 144.415 93.961 -46.841 0.00 0.00 O ATOM 12403 C3* C A 582 142.229 94.520 -46.077 0.00 0.00 C ATOM 12404 O3* C A 582 140.832 94.440 -46.355 0.00 0.00 O ATOM 12405 C2* C A 582 142.792 93.401 -45.193 0.00 0.00 C ATOM 12406 O2* C A 582 142.398 92.080 -45.542 0.00 0.00 O ATOM 12407 C1* C A 582 144.288 93.497 -45.498 0.00 0.00 C ATOM 12408 N1 C A 582 144.962 94.394 -44.523 0.00 0.00 N ATOM 12409 C2 C A 582 145.232 93.886 -43.244 0.00 0.00 C ATOM 12410 O2 C A 582 144.803 92.782 -42.881 0.00 0.00 O ATOM 12411 N3 C A 582 145.995 94.619 -42.405 0.00 0.00 N ATOM 12412 C4 C A 582 146.427 95.814 -42.758 0.00 0.00 C ATOM 12413 N4 C A 582 147.236 96.378 -41.897 0.00 0.00 N ATOM 12414 C5 C A 582 146.129 96.399 -44.022 0.00 0.00 C ATOM 12415 C6 C A 582 145.383 95.657 -44.875 0.00 0.00 C ATOM 12416 P A A 583 139.721 95.074 -45.367 0.00 0.00 P ATOM 12417 O1P A A 583 138.370 94.688 -45.833 0.00 0.00 O ATOM 12418 O2P A A 583 140.026 96.506 -45.136 0.00 0.00 O ATOM 12419 O5* A A 583 139.994 94.294 -43.995 0.00 0.00 O ATOM 12420 C5* A A 583 139.622 92.940 -43.845 0.00 0.00 C ATOM 12421 C4* A A 583 140.029 92.427 -42.461 0.00 0.00 C ATOM 12422 O4* A A 583 141.439 92.442 -42.269 0.00 0.00 O ATOM 12423 C3* A A 583 139.417 93.263 -41.343 0.00 0.00 C ATOM 12424 O3* A A 583 138.097 92.860 -41.034 0.00 0.00 O ATOM 12425 C2* A A 583 140.382 92.967 -40.203 0.00 0.00 C ATOM 12426 O2* A A 583 140.087 91.733 -39.536 0.00 0.00 O ATOM 12427 C1* A A 583 141.723 92.878 -40.943 0.00 0.00 C ATOM 12428 N9 A A 583 142.434 94.184 -40.932 0.00 0.00 N ATOM 12429 C8 A A 583 142.454 95.192 -41.869 0.00 0.00 C ATOM 12430 N7 A A 583 143.229 96.196 -41.558 0.00 0.00 N ATOM 12431 C5 A A 583 143.745 95.839 -40.308 0.00 0.00 C ATOM 12432 C6 A A 583 144.603 96.453 -39.362 0.00 0.00 C ATOM 12433 N6 A A 583 145.189 97.628 -39.494 0.00 0.00 N ATOM 12434 N1 A A 583 144.876 95.870 -38.195 0.00 0.00 N ATOM 12435 C2 A A 583 144.330 94.684 -37.960 0.00 0.00 C ATOM 12436 N3 A A 583 143.511 93.981 -38.741 0.00 0.00 N ATOM 12437 C4 A A 583 143.257 94.621 -39.918 0.00 0.00 C ATOM 12438 P G A 584 137.038 93.902 -40.465 0.00 0.00 P ATOM 12439 O1P G A 584 135.964 93.009 -39.991 0.00 0.00 O ATOM 12440 O2P G A 584 136.730 94.743 -41.635 0.00 0.00 O ATOM 12441 O5* G A 584 137.747 94.702 -39.266 0.00 0.00 O ATOM 12442 C5* G A 584 137.909 94.093 -37.995 0.00 0.00 C ATOM 12443 C4* G A 584 138.883 94.832 -37.065 0.00 0.00 C ATOM 12444 O4* G A 584 140.179 94.957 -37.626 0.00 0.00 O ATOM 12445 C3* G A 584 138.447 96.229 -36.661 0.00 0.00 C ATOM 12446 O3* G A 584 137.427 96.155 -35.679 0.00 0.00 O ATOM 12447 C2* G A 584 139.802 96.789 -36.189 0.00 0.00 C ATOM 12448 O2* G A 584 140.241 96.310 -34.925 0.00 0.00 O ATOM 12449 C1* G A 584 140.750 96.191 -37.225 0.00 0.00 C ATOM 12450 N9 G A 584 140.924 97.099 -38.379 0.00 0.00 N ATOM 12451 C8 G A 584 140.327 97.072 -39.614 0.00 0.00 C ATOM 12452 N7 G A 584 140.752 97.996 -40.431 0.00 0.00 N ATOM 12453 C5 G A 584 141.699 98.700 -39.676 0.00 0.00 C ATOM 12454 C6 G A 584 142.543 99.820 -39.996 0.00 0.00 C ATOM 12455 O6 G A 584 142.685 100.419 -41.059 0.00 0.00 O ATOM 12456 N1 G A 584 143.294 100.270 -38.919 0.00 0.00 N ATOM 12457 C2 G A 584 143.298 99.675 -37.689 0.00 0.00 C ATOM 12458 N2 G A 584 144.064 100.203 -36.754 0.00 0.00 N ATOM 12459 N3 G A 584 142.568 98.604 -37.374 0.00 0.00 N ATOM 12460 C4 G A 584 141.782 98.170 -38.407 0.00 0.00 C ATOM 12461 P G A 585 136.406 97.369 -35.440 0.00 0.00 P ATOM 12462 O1P G A 585 135.468 96.982 -34.363 0.00 0.00 O ATOM 12463 O2P G A 585 135.885 97.809 -36.751 0.00 0.00 O ATOM 12464 O5* G A 585 137.397 98.498 -34.893 0.00 0.00 O ATOM 12465 C5* G A 585 137.976 98.411 -33.611 0.00 0.00 C ATOM 12466 C4* G A 585 138.968 99.549 -33.427 0.00 0.00 C ATOM 12467 O4* G A 585 140.099 99.470 -34.309 0.00 0.00 O ATOM 12468 C3* G A 585 138.349 100.936 -33.640 0.00 0.00 C ATOM 12469 O3* G A 585 137.548 101.401 -32.562 0.00 0.00 O ATOM 12470 C2* G A 585 139.662 101.698 -33.776 0.00 0.00 C ATOM 12471 O2* G A 585 140.358 101.665 -32.544 0.00 0.00 O ATOM 12472 C1* G A 585 140.456 100.797 -34.717 0.00 0.00 C ATOM 12473 N9 G A 585 140.143 101.013 -36.161 0.00 0.00 N ATOM 12474 C8 G A 585 139.300 100.290 -36.969 0.00 0.00 C ATOM 12475 N7 G A 585 139.342 100.612 -38.232 0.00 0.00 N ATOM 12476 C5 G A 585 140.242 101.677 -38.274 0.00 0.00 C ATOM 12477 C6 G A 585 140.667 102.512 -39.369 0.00 0.00 C ATOM 12478 O6 G A 585 140.387 102.450 -40.566 0.00 0.00 O ATOM 12479 N1 G A 585 141.472 103.558 -38.970 0.00 0.00 N ATOM 12480 C2 G A 585 141.864 103.768 -37.683 0.00 0.00 C ATOM 12481 N2 G A 585 142.608 104.828 -37.470 0.00 0.00 N ATOM 12482 N3 G A 585 141.534 102.981 -36.653 0.00 0.00 N ATOM 12483 C4 G A 585 140.704 101.956 -37.002 0.00 0.00 C ATOM 12484 P C A 586 136.374 102.482 -32.805 0.00 0.00 P ATOM 12485 O1P C A 586 135.913 102.902 -31.464 0.00 0.00 O ATOM 12486 O2P C A 586 135.410 101.984 -33.809 0.00 0.00 O ATOM 12487 O5* C A 586 137.086 103.734 -33.504 0.00 0.00 O ATOM 12488 C5* C A 586 137.710 104.749 -32.746 0.00 0.00 C ATOM 12489 C4* C A 586 138.268 105.843 -33.659 0.00 0.00 C ATOM 12490 O4* C A 586 139.205 105.338 -34.606 0.00 0.00 O ATOM 12491 C3* C A 586 137.197 106.525 -34.507 0.00 0.00 C ATOM 12492 O3* C A 586 136.327 107.382 -33.785 0.00 0.00 O ATOM 12493 C2* C A 586 138.101 107.227 -35.522 0.00 0.00 C ATOM 12494 O2* C A 586 138.797 108.341 -34.982 0.00 0.00 O ATOM 12495 C1* C A 586 139.112 106.108 -35.805 0.00 0.00 C ATOM 12496 N1 C A 586 138.652 105.283 -36.962 0.00 0.00 N ATOM 12497 C2 C A 586 138.752 105.813 -38.260 0.00 0.00 C ATOM 12498 O2 C A 586 139.249 106.922 -38.475 0.00 0.00 O ATOM 12499 N3 C A 586 138.282 105.099 -39.317 0.00 0.00 N ATOM 12500 C4 C A 586 137.745 103.904 -39.106 0.00 0.00 C ATOM 12501 N4 C A 586 137.415 103.188 -40.153 0.00 0.00 N ATOM 12502 C5 C A 586 137.622 103.326 -37.814 0.00 0.00 C ATOM 12503 C6 C A 586 138.090 104.043 -36.768 0.00 0.00 C ATOM 12504 P G A 587 134.908 107.837 -34.381 0.00 0.00 P ATOM 12505 O1P G A 587 134.221 108.630 -33.332 0.00 0.00 O ATOM 12506 O2P G A 587 134.289 106.601 -34.928 0.00 0.00 O ATOM 12507 O5* G A 587 135.258 108.791 -35.628 0.00 0.00 O ATOM 12508 C5* G A 587 135.906 110.049 -35.487 0.00 0.00 C ATOM 12509 C4* G A 587 136.032 110.713 -36.867 0.00 0.00 C ATOM 12510 O4* G A 587 136.658 109.798 -37.757 0.00 0.00 O ATOM 12511 C3* G A 587 134.674 111.140 -37.441 0.00 0.00 C ATOM 12512 O3* G A 587 134.461 112.535 -37.258 0.00 0.00 O ATOM 12513 C2* G A 587 134.730 110.681 -38.904 0.00 0.00 C ATOM 12514 O2* G A 587 134.919 111.714 -39.860 0.00 0.00 O ATOM 12515 C1* G A 587 135.953 109.762 -38.980 0.00 0.00 C ATOM 12516 N9 G A 587 135.574 108.387 -39.375 0.00 0.00 N ATOM 12517 C8 G A 587 135.301 107.269 -38.627 0.00 0.00 C ATOM 12518 N7 G A 587 134.956 106.222 -39.336 0.00 0.00 N ATOM 12519 C5 G A 587 134.990 106.685 -40.657 0.00 0.00 C ATOM 12520 C6 G A 587 134.671 106.044 -41.907 0.00 0.00 C ATOM 12521 O6 G A 587 134.298 104.876 -42.100 0.00 0.00 O ATOM 12522 N1 G A 587 134.796 106.918 -42.989 0.00 0.00 N ATOM 12523 C2 G A 587 135.185 108.227 -42.884 0.00 0.00 C ATOM 12524 N2 G A 587 135.205 108.958 -43.970 0.00 0.00 N ATOM 12525 N3 G A 587 135.477 108.839 -41.745 0.00 0.00 N ATOM 12526 C4 G A 587 135.364 108.012 -40.671 0.00 0.00 C ATOM 12527 P G A 588 133.053 113.259 -37.573 0.00 0.00 P ATOM 12528 O1P G A 588 132.622 113.956 -36.338 0.00 0.00 O ATOM 12529 O2P G A 588 132.105 112.279 -38.167 0.00 0.00 O ATOM 12530 O5* G A 588 133.402 114.361 -38.712 0.00 0.00 O ATOM 12531 C5* G A 588 134.495 115.265 -38.575 0.00 0.00 C ATOM 12532 C4* G A 588 134.457 116.428 -39.584 0.00 0.00 C ATOM 12533 O4* G A 588 134.677 115.985 -40.917 0.00 0.00 O ATOM 12534 C3* G A 588 133.131 117.184 -39.602 0.00 0.00 C ATOM 12535 O3* G A 588 132.973 118.079 -38.507 0.00 0.00 O ATOM 12536 C2* G A 588 133.218 117.880 -40.964 0.00 0.00 C ATOM 12537 O2* G A 588 134.003 119.069 -40.961 0.00 0.00 O ATOM 12538 C1* G A 588 133.965 116.835 -41.807 0.00 0.00 C ATOM 12539 N9 G A 588 133.069 116.021 -42.661 0.00 0.00 N ATOM 12540 C8 G A 588 132.920 114.657 -42.719 0.00 0.00 C ATOM 12541 N7 G A 588 132.164 114.233 -43.700 0.00 0.00 N ATOM 12542 C5 G A 588 131.764 115.417 -44.331 0.00 0.00 C ATOM 12543 C6 G A 588 130.927 115.653 -45.476 0.00 0.00 C ATOM 12544 O6 G A 588 130.346 114.843 -46.193 0.00 0.00 O ATOM 12545 N1 G A 588 130.774 116.999 -45.773 0.00 0.00 N ATOM 12546 C2 G A 588 131.380 118.007 -45.078 0.00 0.00 C ATOM 12547 N2 G A 588 131.101 119.249 -45.397 0.00 0.00 N ATOM 12548 N3 G A 588 132.167 117.825 -44.023 0.00 0.00 N ATOM 12549 C4 G A 588 132.316 116.509 -43.696 0.00 0.00 C ATOM 12550 P U A 589 131.528 118.320 -37.839 0.00 0.00 P ATOM 12551 O1P U A 589 131.691 119.238 -36.684 0.00 0.00 O ATOM 12552 O2P U A 589 130.894 116.999 -37.651 0.00 0.00 O ATOM 12553 O5* U A 589 130.712 119.091 -38.988 0.00 0.00 O ATOM 12554 C5* U A 589 130.845 120.483 -39.214 0.00 0.00 C ATOM 12555 C4* U A 589 129.890 120.933 -40.330 0.00 0.00 C ATOM 12556 O4* U A 589 130.232 120.333 -41.578 0.00 0.00 O ATOM 12557 C3* U A 589 128.432 120.560 -40.066 0.00 0.00 C ATOM 12558 O3* U A 589 127.792 121.420 -39.138 0.00 0.00 O ATOM 12559 C2* U A 589 127.870 120.629 -41.491 0.00 0.00 C ATOM 12560 O2* U A 589 127.632 121.957 -41.940 0.00 0.00 O ATOM 12561 C1* U A 589 129.036 120.067 -42.310 0.00 0.00 C ATOM 12562 N1 U A 589 128.863 118.610 -42.582 0.00 0.00 N ATOM 12563 C2 U A 589 128.176 118.231 -43.744 0.00 0.00 C ATOM 12564 O2 U A 589 127.566 119.024 -44.458 0.00 0.00 O ATOM 12565 N3 U A 589 128.173 116.883 -44.062 0.00 0.00 N ATOM 12566 C4 U A 589 128.609 115.873 -43.231 0.00 0.00 C ATOM 12567 O4 U A 589 128.473 114.707 -43.560 0.00 0.00 O ATOM 12568 C5 U A 589 129.243 116.329 -42.015 0.00 0.00 C ATOM 12569 C6 U A 589 129.367 117.650 -41.731 0.00 0.00 C ATOM 12570 P U A 590 126.463 120.963 -38.368 0.00 0.00 P ATOM 12571 O1P U A 590 126.109 122.038 -37.412 0.00 0.00 O ATOM 12572 O2P U A 590 126.684 119.589 -37.876 0.00 0.00 O ATOM 12573 O5* U A 590 125.356 120.905 -39.536 0.00 0.00 O ATOM 12574 C5* U A 590 124.782 122.082 -40.075 0.00 0.00 C ATOM 12575 C4* U A 590 123.688 121.730 -41.089 0.00 0.00 C ATOM 12576 O4* U A 590 124.209 121.010 -42.203 0.00 0.00 O ATOM 12577 C3* U A 590 122.589 120.858 -40.491 0.00 0.00 C ATOM 12578 O3* U A 590 121.673 121.589 -39.693 0.00 0.00 O ATOM 12579 C2* U A 590 121.979 120.286 -41.770 0.00 0.00 C ATOM 12580 O2* U A 590 121.141 121.197 -42.465 0.00 0.00 O ATOM 12581 C1* U A 590 123.220 120.081 -42.639 0.00 0.00 C ATOM 12582 N1 U A 590 123.696 118.673 -42.573 0.00 0.00 N ATOM 12583 C2 U A 590 123.064 117.750 -43.408 0.00 0.00 C ATOM 12584 O2 U A 590 122.108 118.031 -44.127 0.00 0.00 O ATOM 12585 N3 U A 590 123.571 116.470 -43.406 0.00 0.00 N ATOM 12586 C4 U A 590 124.648 116.018 -42.684 0.00 0.00 C ATOM 12587 O4 U A 590 125.031 114.867 -42.843 0.00 0.00 O ATOM 12588 C5 U A 590 125.221 117.013 -41.800 0.00 0.00 C ATOM 12589 C6 U A 590 124.733 118.281 -41.753 0.00 0.00 C ATOM 12590 P U A 591 120.755 120.850 -38.606 0.00 0.00 P ATOM 12591 O1P U A 591 119.979 121.897 -37.899 0.00 0.00 O ATOM 12592 O2P U A 591 121.625 119.938 -37.840 0.00 0.00 O ATOM 12593 O5* U A 591 119.765 119.958 -39.521 0.00 0.00 O ATOM 12594 C5* U A 591 118.689 120.550 -40.226 0.00 0.00 C ATOM 12595 C4* U A 591 117.951 119.534 -41.108 0.00 0.00 C ATOM 12596 O4* U A 591 118.810 118.921 -42.069 0.00 0.00 O ATOM 12597 C3* U A 591 117.311 118.386 -40.336 0.00 0.00 C ATOM 12598 O3* U A 591 116.147 118.772 -39.626 0.00 0.00 O ATOM 12599 C2* U A 591 117.047 117.424 -41.499 0.00 0.00 C ATOM 12600 O2* U A 591 115.954 117.800 -42.324 0.00 0.00 O ATOM 12601 C1* U A 591 118.310 117.609 -42.341 0.00 0.00 C ATOM 12602 N1 U A 591 119.308 116.537 -42.057 0.00 0.00 N ATOM 12603 C2 U A 591 119.161 115.321 -42.733 0.00 0.00 C ATOM 12604 O2 U A 591 118.225 115.079 -43.492 0.00 0.00 O ATOM 12605 N3 U A 591 120.131 114.367 -42.514 0.00 0.00 N ATOM 12606 C4 U A 591 121.219 114.485 -41.684 0.00 0.00 C ATOM 12607 O4 U A 591 122.021 113.560 -41.608 0.00 0.00 O ATOM 12608 C5 U A 591 121.282 115.750 -40.978 0.00 0.00 C ATOM 12609 C6 U A 591 120.343 116.717 -41.166 0.00 0.00 C ATOM 12610 P G A 592 115.585 117.885 -38.410 0.00 0.00 P ATOM 12611 O1P G A 592 114.453 118.612 -37.799 0.00 0.00 O ATOM 12612 O2P G A 592 116.734 117.454 -37.589 0.00 0.00 O ATOM 12613 O5* G A 592 115.010 116.591 -39.166 0.00 0.00 O ATOM 12614 C5* G A 592 113.747 116.619 -39.803 0.00 0.00 C ATOM 12615 C4* G A 592 113.496 115.301 -40.533 0.00 0.00 C ATOM 12616 O4* G A 592 114.536 115.065 -41.478 0.00 0.00 O ATOM 12617 C3* G A 592 113.448 114.084 -39.610 0.00 0.00 C ATOM 12618 O3* G A 592 112.209 113.936 -38.934 0.00 0.00 O ATOM 12619 C2* G A 592 113.743 112.981 -40.626 0.00 0.00 C ATOM 12620 O2* G A 592 112.655 112.663 -41.484 0.00 0.00 O ATOM 12621 C1* G A 592 114.808 113.670 -41.479 0.00 0.00 C ATOM 12622 N9 G A 592 116.158 113.348 -40.958 0.00 0.00 N ATOM 12623 C8 G A 592 117.005 114.025 -40.116 0.00 0.00 C ATOM 12624 N7 G A 592 118.148 113.422 -39.915 0.00 0.00 N ATOM 12625 C5 G A 592 118.020 112.211 -40.603 0.00 0.00 C ATOM 12626 C6 G A 592 118.879 111.058 -40.720 0.00 0.00 C ATOM 12627 O6 G A 592 120.022 110.868 -40.306 0.00 0.00 O ATOM 12628 N1 G A 592 118.273 110.007 -41.397 0.00 0.00 N ATOM 12629 C2 G A 592 117.026 110.075 -41.955 0.00 0.00 C ATOM 12630 N2 G A 592 116.493 108.998 -42.474 0.00 0.00 N ATOM 12631 N3 G A 592 116.236 111.136 -41.915 0.00 0.00 N ATOM 12632 C4 G A 592 116.787 112.164 -41.215 0.00 0.00 C ATOM 12633 P U A 593 112.086 113.033 -37.609 0.00 0.00 P ATOM 12634 O1P U A 593 110.768 113.292 -36.996 0.00 0.00 O ATOM 12635 O2P U A 593 113.325 113.206 -36.823 0.00 0.00 O ATOM 12636 O5* U A 593 112.102 111.532 -38.174 0.00 0.00 O ATOM 12637 C5* U A 593 111.012 110.956 -38.863 0.00 0.00 C ATOM 12638 C4* U A 593 111.370 109.525 -39.294 0.00 0.00 C ATOM 12639 O4* U A 593 112.499 109.516 -40.170 0.00 0.00 O ATOM 12640 C3* U A 593 111.723 108.602 -38.128 0.00 0.00 C ATOM 12641 O3* U A 593 110.596 108.080 -37.449 0.00 0.00 O ATOM 12642 C2* U A 593 112.531 107.526 -38.857 0.00 0.00 C ATOM 12643 O2* U A 593 111.741 106.611 -39.606 0.00 0.00 O ATOM 12644 C1* U A 593 113.303 108.376 -39.865 0.00 0.00 C ATOM 12645 N1 U A 593 114.641 108.746 -39.332 0.00 0.00 N ATOM 12646 C2 U A 593 115.663 107.808 -39.486 0.00 0.00 C ATOM 12647 O2 U A 593 115.484 106.665 -39.893 0.00 0.00 O ATOM 12648 N3 U A 593 116.931 108.205 -39.129 0.00 0.00 N ATOM 12649 C4 U A 593 117.238 109.362 -38.450 0.00 0.00 C ATOM 12650 O4 U A 593 118.369 109.515 -38.030 0.00 0.00 O ATOM 12651 C5 U A 593 116.136 110.279 -38.293 0.00 0.00 C ATOM 12652 C6 U A 593 114.892 109.960 -38.728 0.00 0.00 C ATOM 12653 P U A 594 110.709 107.629 -35.912 0.00 0.00 P ATOM 12654 O1P U A 594 109.401 107.075 -35.505 0.00 0.00 O ATOM 12655 O2P U A 594 111.318 108.747 -35.162 0.00 0.00 O ATOM 12656 O5* U A 594 111.794 106.440 -35.948 0.00 0.00 O ATOM 12657 C5* U A 594 111.491 105.153 -36.448 0.00 0.00 C ATOM 12658 C4* U A 594 112.714 104.228 -36.331 0.00 0.00 C ATOM 12659 O4* U A 594 113.876 104.746 -36.991 0.00 0.00 O ATOM 12660 C3* U A 594 113.126 103.959 -34.887 0.00 0.00 C ATOM 12661 O3* U A 594 112.315 102.974 -34.269 0.00 0.00 O ATOM 12662 C2* U A 594 114.574 103.501 -35.106 0.00 0.00 C ATOM 12663 O2* U A 594 114.680 102.177 -35.624 0.00 0.00 O ATOM 12664 C1* U A 594 115.047 104.424 -36.229 0.00 0.00 C ATOM 12665 N1 U A 594 115.751 105.637 -35.706 0.00 0.00 N ATOM 12666 C2 U A 594 117.111 105.548 -35.340 0.00 0.00 C ATOM 12667 O2 U A 594 117.780 104.514 -35.416 0.00 0.00 O ATOM 12668 N3 U A 594 117.725 106.727 -34.938 0.00 0.00 N ATOM 12669 C4 U A 594 117.142 107.971 -34.919 0.00 0.00 C ATOM 12670 O4 U A 594 117.791 108.945 -34.578 0.00 0.00 O ATOM 12671 C5 U A 594 115.757 107.988 -35.315 0.00 0.00 C ATOM 12672 C6 U A 594 115.106 106.855 -35.673 0.00 0.00 C ATOM 12673 P A A 595 112.044 102.981 -32.685 0.00 0.00 P ATOM 12674 O1P A A 595 111.326 101.742 -32.320 0.00 0.00 O ATOM 12675 O2P A A 595 111.495 104.297 -32.313 0.00 0.00 O ATOM 12676 O5* A A 595 113.512 102.917 -32.060 0.00 0.00 O ATOM 12677 C5* A A 595 114.337 101.779 -32.180 0.00 0.00 C ATOM 12678 C4* A A 595 115.676 102.065 -31.493 0.00 0.00 C ATOM 12679 O4* A A 595 116.229 103.320 -31.901 0.00 0.00 O ATOM 12680 C3* A A 595 115.493 102.095 -29.978 0.00 0.00 C ATOM 12681 O3* A A 595 116.594 101.452 -29.376 0.00 0.00 O ATOM 12682 C2* A A 595 115.440 103.581 -29.677 0.00 0.00 C ATOM 12683 O2* A A 595 115.906 103.814 -28.365 0.00 0.00 O ATOM 12684 C1* A A 595 116.302 104.204 -30.784 0.00 0.00 C ATOM 12685 N9 A A 595 115.840 105.564 -31.187 0.00 0.00 N ATOM 12686 C8 A A 595 114.576 105.947 -31.577 0.00 0.00 C ATOM 12687 N7 A A 595 114.459 107.214 -31.860 0.00 0.00 N ATOM 12688 C5 A A 595 115.727 107.725 -31.607 0.00 0.00 C ATOM 12689 C6 A A 595 116.277 109.026 -31.663 0.00 0.00 C ATOM 12690 N6 A A 595 115.602 110.090 -32.073 0.00 0.00 N ATOM 12691 N1 A A 595 117.539 109.249 -31.277 0.00 0.00 N ATOM 12692 C2 A A 595 118.270 108.182 -30.952 0.00 0.00 C ATOM 12693 N3 A A 595 117.901 106.898 -30.894 0.00 0.00 N ATOM 12694 C4 A A 595 116.585 106.730 -31.212 0.00 0.00 C ATOM 12695 P A A 596 116.570 99.875 -29.152 0.00 0.00 P ATOM 12696 O1P A A 596 115.523 99.287 -30.014 0.00 0.00 O ATOM 12697 O2P A A 596 116.585 99.595 -27.705 0.00 0.00 O ATOM 12698 O5* A A 596 117.984 99.492 -29.785 0.00 0.00 O ATOM 12699 C5* A A 596 118.502 98.187 -29.656 0.00 0.00 C ATOM 12700 C4* A A 596 120.025 98.220 -29.792 0.00 0.00 C ATOM 12701 O4* A A 596 120.438 98.660 -31.085 0.00 0.00 O ATOM 12702 C3* A A 596 120.666 99.147 -28.759 0.00 0.00 C ATOM 12703 O3* A A 596 120.815 98.508 -27.501 0.00 0.00 O ATOM 12704 C2* A A 596 121.973 99.486 -29.481 0.00 0.00 C ATOM 12705 O2* A A 596 122.947 98.452 -29.444 0.00 0.00 O ATOM 12706 C1* A A 596 121.500 99.595 -30.934 0.00 0.00 C ATOM 12707 N9 A A 596 121.025 100.960 -31.273 0.00 0.00 N ATOM 12708 C8 A A 596 119.766 101.370 -31.645 0.00 0.00 C ATOM 12709 N7 A A 596 119.660 102.650 -31.879 0.00 0.00 N ATOM 12710 C5 A A 596 120.946 103.126 -31.617 0.00 0.00 C ATOM 12711 C6 A A 596 121.539 104.407 -31.604 0.00 0.00 C ATOM 12712 N6 A A 596 120.882 105.532 -31.834 0.00 0.00 N ATOM 12713 N1 A A 596 122.840 104.550 -31.323 0.00 0.00 N ATOM 12714 C2 A A 596 123.545 103.456 -31.056 0.00 0.00 C ATOM 12715 N3 A A 596 123.125 102.197 -31.014 0.00 0.00 N ATOM 12716 C4 A A 596 121.794 102.100 -31.293 0.00 0.00 C ATOM 12717 P G A 597 120.943 99.353 -26.137 0.00 0.00 P ATOM 12718 O1P G A 597 120.947 98.410 -25.001 0.00 0.00 O ATOM 12719 O2P G A 597 119.990 100.475 -26.172 0.00 0.00 O ATOM 12720 O5* G A 597 122.397 99.999 -26.270 0.00 0.00 O ATOM 12721 C5* G A 597 123.563 99.211 -26.196 0.00 0.00 C ATOM 12722 C4* G A 597 124.765 100.114 -26.480 0.00 0.00 C ATOM 12723 O4* G A 597 124.587 100.821 -27.709 0.00 0.00 O ATOM 12724 C3* G A 597 124.942 101.155 -25.381 0.00 0.00 C ATOM 12725 O3* G A 597 125.736 100.698 -24.305 0.00 0.00 O ATOM 12726 C2* G A 597 125.607 102.299 -26.141 0.00 0.00 C ATOM 12727 O2* G A 597 127.009 102.151 -26.320 0.00 0.00 O ATOM 12728 C1* G A 597 124.941 102.188 -27.515 0.00 0.00 C ATOM 12729 N9 G A 597 123.801 103.138 -27.617 0.00 0.00 N ATOM 12730 C8 G A 597 122.450 102.938 -27.775 0.00 0.00 C ATOM 12731 N7 G A 597 121.762 104.041 -27.924 0.00 0.00 N ATOM 12732 C5 G A 597 122.707 105.061 -27.801 0.00 0.00 C ATOM 12733 C6 G A 597 122.595 106.500 -27.809 0.00 0.00 C ATOM 12734 O6 G A 597 121.617 107.232 -27.962 0.00 0.00 O ATOM 12735 N1 G A 597 123.807 107.131 -27.596 0.00 0.00 N ATOM 12736 C2 G A 597 124.987 106.474 -27.424 0.00 0.00 C ATOM 12737 N2 G A 597 126.064 107.200 -27.294 0.00 0.00 N ATOM 12738 N3 G A 597 125.133 105.156 -27.425 0.00 0.00 N ATOM 12739 C4 G A 597 123.953 104.502 -27.607 0.00 0.00 C ATOM 12740 P U A 598 125.438 101.189 -22.812 0.00 0.00 P ATOM 12741 O1P U A 598 126.659 100.941 -22.014 0.00 0.00 O ATOM 12742 O2P U A 598 124.138 100.620 -22.412 0.00 0.00 O ATOM 12743 O5* U A 598 125.238 102.778 -22.974 0.00 0.00 O ATOM 12744 C5* U A 598 126.321 103.687 -22.944 0.00 0.00 C ATOM 12745 C4* U A 598 125.787 105.125 -22.946 0.00 0.00 C ATOM 12746 O4* U A 598 125.100 105.433 -24.152 0.00 0.00 O ATOM 12747 C3* U A 598 124.814 105.394 -21.803 0.00 0.00 C ATOM 12748 O3* U A 598 125.494 105.595 -20.574 0.00 0.00 O ATOM 12749 C2* U A 598 124.089 106.628 -22.355 0.00 0.00 C ATOM 12750 O2* U A 598 124.811 107.844 -22.227 0.00 0.00 O ATOM 12751 C1* U A 598 124.012 106.301 -23.851 0.00 0.00 C ATOM 12752 N1 U A 598 122.697 105.699 -24.210 0.00 0.00 N ATOM 12753 C2 U A 598 121.615 106.570 -24.381 0.00 0.00 C ATOM 12754 O2 U A 598 121.695 107.789 -24.228 0.00 0.00 O ATOM 12755 N3 U A 598 120.410 105.999 -24.737 0.00 0.00 N ATOM 12756 C4 U A 598 120.175 104.661 -24.953 0.00 0.00 C ATOM 12757 O4 U A 598 119.045 104.294 -25.257 0.00 0.00 O ATOM 12758 C5 U A 598 121.333 103.818 -24.743 0.00 0.00 C ATOM 12759 C6 U A 598 122.536 104.339 -24.385 0.00 0.00 C ATOM 12760 P C A 599 124.781 105.306 -19.160 0.00 0.00 P ATOM 12761 O1P C A 599 125.752 105.607 -18.086 0.00 0.00 O ATOM 12762 O2P C A 599 124.110 103.994 -19.231 0.00 0.00 O ATOM 12763 O5* C A 599 123.638 106.422 -19.136 0.00 0.00 O ATOM 12764 C5* C A 599 123.929 107.780 -18.896 0.00 0.00 C ATOM 12765 C4* C A 599 122.640 108.605 -18.991 0.00 0.00 C ATOM 12766 O4* C A 599 122.040 108.599 -20.288 0.00 0.00 O ATOM 12767 C3* C A 599 121.559 108.103 -18.050 0.00 0.00 C ATOM 12768 O3* C A 599 121.793 108.502 -16.730 0.00 0.00 O ATOM 12769 C2* C A 599 120.337 108.788 -18.647 0.00 0.00 C ATOM 12770 O2* C A 599 120.297 110.177 -18.342 0.00 0.00 O ATOM 12771 C1* C A 599 120.614 108.607 -20.140 0.00 0.00 C ATOM 12772 N1 C A 599 119.986 107.340 -20.639 0.00 0.00 N ATOM 12773 C2 C A 599 118.620 107.329 -20.978 0.00 0.00 C ATOM 12774 O2 C A 599 117.903 108.320 -20.814 0.00 0.00 O ATOM 12775 N3 C A 599 118.061 106.208 -21.513 0.00 0.00 N ATOM 12776 C4 C A 599 118.811 105.124 -21.689 0.00 0.00 C ATOM 12777 N4 C A 599 118.261 104.078 -22.258 0.00 0.00 N ATOM 12778 C5 C A 599 120.182 105.070 -21.309 0.00 0.00 C ATOM 12779 C6 C A 599 120.723 106.186 -20.769 0.00 0.00 C ATOM 12780 P A A 600 121.040 107.800 -15.524 0.00 0.00 P ATOM 12781 O1P A A 600 121.532 108.527 -14.337 0.00 0.00 O ATOM 12782 O2P A A 600 121.199 106.335 -15.651 0.00 0.00 O ATOM 12783 O5* A A 600 119.484 108.109 -15.682 0.00 0.00 O ATOM 12784 C5* A A 600 118.951 109.323 -15.223 0.00 0.00 C ATOM 12785 C4* A A 600 117.444 109.368 -15.447 0.00 0.00 C ATOM 12786 O4* A A 600 117.140 109.156 -16.818 0.00 0.00 O ATOM 12787 C3* A A 600 116.667 108.313 -14.673 0.00 0.00 C ATOM 12788 O3* A A 600 116.516 108.641 -13.305 0.00 0.00 O ATOM 12789 C2* A A 600 115.365 108.326 -15.475 0.00 0.00 C ATOM 12790 O2* A A 600 114.543 109.457 -15.240 0.00 0.00 O ATOM 12791 C1* A A 600 115.901 108.478 -16.894 0.00 0.00 C ATOM 12792 N9 A A 600 116.094 107.157 -17.510 0.00 0.00 N ATOM 12793 C8 A A 600 117.233 106.399 -17.638 0.00 0.00 C ATOM 12794 N7 A A 600 117.053 105.277 -18.279 0.00 0.00 N ATOM 12795 C5 A A 600 115.680 105.286 -18.550 0.00 0.00 C ATOM 12796 C6 A A 600 114.793 104.390 -19.178 0.00 0.00 C ATOM 12797 N6 A A 600 115.187 103.256 -19.726 0.00 0.00 N ATOM 12798 N1 A A 600 113.488 104.685 -19.281 0.00 0.00 N ATOM 12799 C2 A A 600 113.063 105.838 -18.772 0.00 0.00 C ATOM 12800 N3 A A 600 113.777 106.772 -18.155 0.00 0.00 N ATOM 12801 C4 A A 600 115.090 106.423 -18.076 0.00 0.00 C ATOM 12802 P G A 601 116.067 107.535 -12.236 0.00 0.00 P ATOM 12803 O1P G A 601 116.188 108.176 -10.907 0.00 0.00 O ATOM 12804 O2P G A 601 116.844 106.322 -12.539 0.00 0.00 O ATOM 12805 O5* G A 601 114.552 107.328 -12.606 0.00 0.00 O ATOM 12806 C5* G A 601 113.575 108.285 -12.259 0.00 0.00 C ATOM 12807 C4* G A 601 112.243 107.691 -12.685 0.00 0.00 C ATOM 12808 O4* G A 601 112.268 107.393 -14.075 0.00 0.00 O ATOM 12809 C3* G A 601 112.000 106.384 -11.940 0.00 0.00 C ATOM 12810 O3* G A 601 111.531 106.622 -10.625 0.00 0.00 O ATOM 12811 C2* G A 601 111.048 105.693 -12.909 0.00 0.00 C ATOM 12812 O2* G A 601 109.711 106.156 -12.869 0.00 0.00 O ATOM 12813 C1* G A 601 111.630 106.139 -14.250 0.00 0.00 C ATOM 12814 N9 G A 601 112.519 105.096 -14.817 0.00 0.00 N ATOM 12815 C8 G A 601 113.875 104.877 -14.743 0.00 0.00 C ATOM 12816 N7 G A 601 114.281 103.841 -15.434 0.00 0.00 N ATOM 12817 C5 G A 601 113.103 103.291 -15.954 0.00 0.00 C ATOM 12818 C6 G A 601 112.828 102.117 -16.749 0.00 0.00 C ATOM 12819 O6 G A 601 113.592 101.290 -17.248 0.00 0.00 O ATOM 12820 N1 G A 601 111.470 101.902 -16.941 0.00 0.00 N ATOM 12821 C2 G A 601 110.494 102.747 -16.493 0.00 0.00 C ATOM 12822 N2 G A 601 109.234 102.456 -16.694 0.00 0.00 N ATOM 12823 N3 G A 601 110.713 103.856 -15.808 0.00 0.00 N ATOM 12824 C4 G A 601 112.033 104.060 -15.557 0.00 0.00 C ATOM 12825 P A A 602 111.792 105.554 -9.459 0.00 0.00 P ATOM 12826 O1P A A 602 111.309 106.121 -8.183 0.00 0.00 O ATOM 12827 O2P A A 602 113.170 105.040 -9.588 0.00 0.00 O ATOM 12828 O5* A A 602 110.784 104.408 -9.937 0.00 0.00 O ATOM 12829 C5* A A 602 109.388 104.594 -9.843 0.00 0.00 C ATOM 12830 C4* A A 602 108.666 103.435 -10.527 0.00 0.00 C ATOM 12831 O4* A A 602 108.999 103.353 -11.911 0.00 0.00 O ATOM 12832 C3* A A 602 109.034 102.096 -9.906 0.00 0.00 C ATOM 12833 O3* A A 602 108.359 101.862 -8.684 0.00 0.00 O ATOM 12834 C2* A A 602 108.643 101.162 -11.049 0.00 0.00 C ATOM 12835 O2* A A 602 107.247 100.945 -11.182 0.00 0.00 O ATOM 12836 C1* A A 602 109.070 101.975 -12.267 0.00 0.00 C ATOM 12837 N9 A A 602 110.431 101.579 -12.687 0.00 0.00 N ATOM 12838 C8 A A 602 111.652 102.103 -12.335 0.00 0.00 C ATOM 12839 N7 A A 602 112.664 101.541 -12.936 0.00 0.00 N ATOM 12840 C5 A A 602 112.069 100.534 -13.698 0.00 0.00 C ATOM 12841 C6 A A 602 112.559 99.523 -14.550 0.00 0.00 C ATOM 12842 N6 A A 602 113.838 99.344 -14.827 0.00 0.00 N ATOM 12843 N1 A A 602 111.719 98.639 -15.099 0.00 0.00 N ATOM 12844 C2 A A 602 110.421 98.757 -14.841 0.00 0.00 C ATOM 12845 N3 A A 602 109.820 99.660 -14.074 0.00 0.00 N ATOM 12846 C4 A A 602 110.712 100.531 -13.526 0.00 0.00 C ATOM 12847 P U A 603 108.964 100.848 -7.599 0.00 0.00 P ATOM 12848 O1P U A 603 108.054 100.810 -6.436 0.00 0.00 O ATOM 12849 O2P U A 603 110.398 101.154 -7.429 0.00 0.00 O ATOM 12850 O5* U A 603 108.860 99.457 -8.384 0.00 0.00 O ATOM 12851 C5* U A 603 107.619 98.813 -8.582 0.00 0.00 C ATOM 12852 C4* U A 603 107.819 97.616 -9.509 0.00 0.00 C ATOM 12853 O4* U A 603 108.374 98.007 -10.762 0.00 0.00 O ATOM 12854 C3* U A 603 108.784 96.592 -8.932 0.00 0.00 C ATOM 12855 O3* U A 603 108.204 95.817 -7.903 0.00 0.00 O ATOM 12856 C2* U A 603 109.131 95.821 -10.205 0.00 0.00 C ATOM 12857 O2* U A 603 108.099 94.961 -10.667 0.00 0.00 O ATOM 12858 C1* U A 603 109.232 96.966 -11.214 0.00 0.00 C ATOM 12859 N1 U A 603 110.654 97.373 -11.396 0.00 0.00 N ATOM 12860 C2 U A 603 111.379 96.633 -12.329 0.00 0.00 C ATOM 12861 O2 U A 603 110.889 95.724 -12.992 0.00 0.00 O ATOM 12862 N3 U A 603 112.706 96.944 -12.486 0.00 0.00 N ATOM 12863 C4 U A 603 113.400 97.909 -11.791 0.00 0.00 C ATOM 12864 O4 U A 603 114.594 98.059 -12.021 0.00 0.00 O ATOM 12865 C5 U A 603 112.590 98.645 -10.836 0.00 0.00 C ATOM 12866 C6 U A 603 111.271 98.360 -10.654 0.00 0.00 C ATOM 12867 P G A 604 109.131 95.045 -6.848 0.00 0.00 P ATOM 12868 O1P G A 604 108.252 94.381 -5.863 0.00 0.00 O ATOM 12869 O2P G A 604 110.198 95.968 -6.408 0.00 0.00 O ATOM 12870 O5* G A 604 109.800 93.931 -7.786 0.00 0.00 O ATOM 12871 C5* G A 604 109.049 92.825 -8.242 0.00 0.00 C ATOM 12872 C4* G A 604 109.931 91.920 -9.099 0.00 0.00 C ATOM 12873 O4* G A 604 110.476 92.602 -10.227 0.00 0.00 O ATOM 12874 C3* G A 604 111.119 91.388 -8.315 0.00 0.00 C ATOM 12875 O3* G A 604 110.753 90.363 -7.412 0.00 0.00 O ATOM 12876 C2* G A 604 112.007 90.938 -9.476 0.00 0.00 C ATOM 12877 O2* G A 604 111.581 89.732 -10.092 0.00 0.00 O ATOM 12878 C1* G A 604 111.770 92.062 -10.484 0.00 0.00 C ATOM 12879 N9 G A 604 112.836 93.086 -10.383 0.00 0.00 N ATOM 12880 C8 G A 604 112.841 94.309 -9.762 0.00 0.00 C ATOM 12881 N7 G A 604 113.949 94.984 -9.927 0.00 0.00 N ATOM 12882 C5 G A 604 114.763 94.133 -10.682 0.00 0.00 C ATOM 12883 C6 G A 604 116.114 94.263 -11.177 0.00 0.00 C ATOM 12884 O6 G A 604 116.919 95.190 -11.082 0.00 0.00 O ATOM 12885 N1 G A 604 116.543 93.143 -11.868 0.00 0.00 N ATOM 12886 C2 G A 604 115.776 92.036 -12.082 0.00 0.00 C ATOM 12887 N2 G A 604 116.297 91.078 -12.801 0.00 0.00 N ATOM 12888 N3 G A 604 114.534 91.881 -11.635 0.00 0.00 N ATOM 12889 C4 G A 604 114.083 92.963 -10.941 0.00 0.00 C ATOM 12890 P U A 605 111.625 90.101 -6.096 0.00 0.00 P ATOM 12891 O1P U A 605 111.077 88.917 -5.403 0.00 0.00 O ATOM 12892 O2P U A 605 111.799 91.387 -5.392 0.00 0.00 O ATOM 12893 O5* U A 605 113.022 89.724 -6.768 0.00 0.00 O ATOM 12894 C5* U A 605 113.241 88.463 -7.358 0.00 0.00 C ATOM 12895 C4* U A 605 114.649 88.420 -7.944 0.00 0.00 C ATOM 12896 O4* U A 605 114.861 89.312 -9.044 0.00 0.00 O ATOM 12897 C3* U A 605 115.713 88.828 -6.932 0.00 0.00 C ATOM 12898 O3* U A 605 115.944 87.918 -5.886 0.00 0.00 O ATOM 12899 C2* U A 605 116.887 88.928 -7.905 0.00 0.00 C ATOM 12900 O2* U A 605 117.252 87.657 -8.416 0.00 0.00 O ATOM 12901 C1* U A 605 116.222 89.764 -9.000 0.00 0.00 C ATOM 12902 N1 U A 605 116.339 91.221 -8.660 0.00 0.00 N ATOM 12903 C2 U A 605 117.540 91.874 -8.969 0.00 0.00 C ATOM 12904 O2 U A 605 118.467 91.336 -9.568 0.00 0.00 O ATOM 12905 N3 U A 605 117.663 93.192 -8.564 0.00 0.00 N ATOM 12906 C4 U A 605 116.723 93.915 -7.867 0.00 0.00 C ATOM 12907 O4 U A 605 116.954 95.068 -7.530 0.00 0.00 O ATOM 12908 C5 U A 605 115.511 93.183 -7.582 0.00 0.00 C ATOM 12909 C6 U A 605 115.349 91.894 -7.972 0.00 0.00 C ATOM 12910 P G A 606 115.927 88.370 -4.343 0.00 0.00 P ATOM 12911 O1P G A 606 117.116 87.742 -3.738 0.00 0.00 O ATOM 12912 O2P G A 606 114.593 88.027 -3.815 0.00 0.00 O ATOM 12913 O5* G A 606 116.072 90.008 -4.267 0.00 0.00 O ATOM 12914 C5* G A 606 117.143 90.844 -4.733 0.00 0.00 C ATOM 12915 C4* G A 606 118.473 90.195 -5.143 0.00 0.00 C ATOM 12916 O4* G A 606 119.046 90.810 -6.273 0.00 0.00 O ATOM 12917 C3* G A 606 119.577 90.355 -4.121 0.00 0.00 C ATOM 12918 O3* G A 606 119.156 89.583 -3.042 0.00 0.00 O ATOM 12919 C2* G A 606 120.771 89.838 -4.941 0.00 0.00 C ATOM 12920 O2* G A 606 120.880 88.418 -4.936 0.00 0.00 O ATOM 12921 C1* G A 606 120.383 90.345 -6.344 0.00 0.00 C ATOM 12922 N9 G A 606 121.220 91.485 -6.735 0.00 0.00 N ATOM 12923 C8 G A 606 120.950 92.820 -6.573 0.00 0.00 C ATOM 12924 N7 G A 606 121.903 93.603 -6.977 0.00 0.00 N ATOM 12925 C5 G A 606 122.857 92.722 -7.478 0.00 0.00 C ATOM 12926 C6 G A 606 124.114 92.978 -8.095 0.00 0.00 C ATOM 12927 O6 G A 606 124.649 94.057 -8.272 0.00 0.00 O ATOM 12928 N1 G A 606 124.772 91.840 -8.531 0.00 0.00 N ATOM 12929 C2 G A 606 124.283 90.582 -8.342 0.00 0.00 C ATOM 12930 N2 G A 606 125.020 89.582 -8.770 0.00 0.00 N ATOM 12931 N3 G A 606 123.152 90.297 -7.694 0.00 0.00 N ATOM 12932 C4 G A 606 122.458 91.417 -7.324 0.00 0.00 C ATOM 12933 P A A 607 119.468 89.875 -1.532 0.00 0.00 P ATOM 12934 O1P A A 607 118.230 89.861 -0.743 0.00 0.00 O ATOM 12935 O2P A A 607 120.400 91.019 -1.398 0.00 0.00 O ATOM 12936 O5* A A 607 120.369 88.597 -1.144 0.00 0.00 O ATOM 12937 C5* A A 607 120.129 87.298 -1.687 0.00 0.00 C ATOM 12938 C4* A A 607 119.240 86.379 -0.841 0.00 0.00 C ATOM 12939 O4* A A 607 119.374 85.047 -1.341 0.00 0.00 O ATOM 12940 C3* A A 607 119.666 86.332 0.622 0.00 0.00 C ATOM 12941 O3* A A 607 118.994 87.300 1.411 0.00 0.00 O ATOM 12942 C2* A A 607 119.350 84.880 1.013 0.00 0.00 C ATOM 12943 O2* A A 607 117.982 84.651 1.326 0.00 0.00 O ATOM 12944 C1* A A 607 119.653 84.131 -0.287 0.00 0.00 C ATOM 12945 N9 A A 607 121.060 83.646 -0.390 0.00 0.00 N ATOM 12946 C8 A A 607 122.005 83.998 -1.325 0.00 0.00 C ATOM 12947 N7 A A 607 123.141 83.367 -1.216 0.00 0.00 N ATOM 12948 C5 A A 607 122.940 82.521 -0.125 0.00 0.00 C ATOM 12949 C6 A A 607 123.749 81.566 0.540 0.00 0.00 C ATOM 12950 N6 A A 607 124.998 81.286 0.200 0.00 0.00 N ATOM 12951 N1 A A 607 123.271 80.870 1.581 0.00 0.00 N ATOM 12952 C2 A A 607 122.015 81.117 1.952 0.00 0.00 C ATOM 12953 N3 A A 607 121.138 81.967 1.418 0.00 0.00 N ATOM 12954 C4 A A 607 121.669 82.664 0.372 0.00 0.00 C ATOM 12955 P A A 608 119.762 88.120 2.547 0.00 0.00 P ATOM 12956 O1P A A 608 118.817 89.042 3.204 0.00 0.00 O ATOM 12957 O2P A A 608 121.017 88.642 1.956 0.00 0.00 O ATOM 12958 O5* A A 608 120.146 86.938 3.553 0.00 0.00 O ATOM 12959 C5* A A 608 119.164 86.317 4.355 0.00 0.00 C ATOM 12960 C4* A A 608 119.780 85.144 5.124 0.00 0.00 C ATOM 12961 O4* A A 608 120.254 84.132 4.240 0.00 0.00 O ATOM 12962 C3* A A 608 120.972 85.567 5.969 0.00 0.00 C ATOM 12963 O3* A A 608 120.595 86.088 7.223 0.00 0.00 O ATOM 12964 C2* A A 608 121.766 84.266 6.075 0.00 0.00 C ATOM 12965 O2* A A 608 121.307 83.330 7.044 0.00 0.00 O ATOM 12966 C1* A A 608 121.520 83.665 4.693 0.00 0.00 C ATOM 12967 N9 A A 608 122.619 84.038 3.768 0.00 0.00 N ATOM 12968 C8 A A 608 122.624 84.907 2.704 0.00 0.00 C ATOM 12969 N7 A A 608 123.738 84.909 2.020 0.00 0.00 N ATOM 12970 C5 A A 608 124.561 84.038 2.739 0.00 0.00 C ATOM 12971 C6 A A 608 125.908 83.617 2.620 0.00 0.00 C ATOM 12972 N6 A A 608 126.722 84.006 1.651 0.00 0.00 N ATOM 12973 N1 A A 608 126.451 82.803 3.540 0.00 0.00 N ATOM 12974 C2 A A 608 125.670 82.393 4.537 0.00 0.00 C ATOM 12975 N3 A A 608 124.392 82.676 4.758 0.00 0.00 N ATOM 12976 C4 A A 608 123.892 83.523 3.816 0.00 0.00 C ATOM 12977 P A A 609 121.439 87.277 7.880 0.00 0.00 P ATOM 12978 O1P A A 609 120.918 87.481 9.245 0.00 0.00 O ATOM 12979 O2P A A 609 121.474 88.385 6.905 0.00 0.00 O ATOM 12980 O5* A A 609 122.916 86.643 7.956 0.00 0.00 O ATOM 12981 C5* A A 609 123.274 85.708 8.952 0.00 0.00 C ATOM 12982 C4* A A 609 124.720 85.239 8.748 0.00 0.00 C ATOM 12983 O4* A A 609 124.900 84.597 7.485 0.00 0.00 O ATOM 12984 C3* A A 609 125.722 86.387 8.788 0.00 0.00 C ATOM 12985 O3* A A 609 126.038 86.824 10.100 0.00 0.00 O ATOM 12986 C2* A A 609 126.895 85.752 8.033 0.00 0.00 C ATOM 12987 O2* A A 609 127.644 84.798 8.779 0.00 0.00 O ATOM 12988 C1* A A 609 126.151 84.995 6.935 0.00 0.00 C ATOM 12989 N9 A A 609 125.977 85.848 5.735 0.00 0.00 N ATOM 12990 C8 A A 609 124.852 86.474 5.250 0.00 0.00 C ATOM 12991 N7 A A 609 125.038 87.104 4.122 0.00 0.00 N ATOM 12992 C5 A A 609 126.393 86.905 3.855 0.00 0.00 C ATOM 12993 C6 A A 609 127.276 87.316 2.831 0.00 0.00 C ATOM 12994 N6 A A 609 126.947 88.048 1.777 0.00 0.00 N ATOM 12995 N1 A A 609 128.570 87.010 2.890 0.00 0.00 N ATOM 12996 C2 A A 609 128.999 86.284 3.915 0.00 0.00 C ATOM 12997 N3 A A 609 128.288 85.810 4.934 0.00 0.00 N ATOM 12998 C4 A A 609 126.976 86.163 4.846 0.00 0.00 C ATOM 12999 P U A 610 126.296 88.383 10.399 0.00 0.00 P ATOM 13000 O1P U A 610 126.778 88.568 11.783 0.00 0.00 O ATOM 13001 O2P U A 610 125.177 89.180 9.865 0.00 0.00 O ATOM 13002 O5* U A 610 127.533 88.666 9.452 0.00 0.00 O ATOM 13003 C5* U A 610 128.786 88.108 9.735 0.00 0.00 C ATOM 13004 C4* U A 610 129.719 88.528 8.621 0.00 0.00 C ATOM 13005 O4* U A 610 129.300 88.027 7.351 0.00 0.00 O ATOM 13006 C3* U A 610 129.899 90.049 8.465 0.00 0.00 C ATOM 13007 O3* U A 610 130.726 90.564 9.503 0.00 0.00 O ATOM 13008 C2* U A 610 130.543 89.963 7.082 0.00 0.00 C ATOM 13009 O2* U A 610 131.828 89.387 7.245 0.00 0.00 O ATOM 13010 C1* U A 610 129.631 88.980 6.348 0.00 0.00 C ATOM 13011 N1 U A 610 128.418 89.643 5.753 0.00 0.00 N ATOM 13012 C2 U A 610 128.593 90.475 4.635 0.00 0.00 C ATOM 13013 O2 U A 610 129.693 90.747 4.168 0.00 0.00 O ATOM 13014 N3 U A 610 127.460 91.015 4.049 0.00 0.00 N ATOM 13015 C4 U A 610 126.166 90.794 4.464 0.00 0.00 C ATOM 13016 O4 U A 610 125.241 91.310 3.852 0.00 0.00 O ATOM 13017 C5 U A 610 126.054 89.945 5.630 0.00 0.00 C ATOM 13018 C6 U A 610 127.146 89.408 6.235 0.00 0.00 C ATOM 13019 P C A 611 131.142 92.112 9.708 0.00 0.00 P ATOM 13020 O1P C A 611 132.590 92.185 9.397 0.00 0.00 O ATOM 13021 O2P C A 611 130.680 92.392 11.090 0.00 0.00 O ATOM 13022 O5* C A 611 130.382 93.121 8.664 0.00 0.00 O ATOM 13023 C5* C A 611 130.724 93.178 7.277 0.00 0.00 C ATOM 13024 C4* C A 611 130.990 94.531 6.589 0.00 0.00 C ATOM 13025 O4* C A 611 130.191 94.603 5.408 0.00 0.00 O ATOM 13026 C3* C A 611 130.746 95.793 7.406 0.00 0.00 C ATOM 13027 O3* C A 611 131.947 96.244 8.012 0.00 0.00 O ATOM 13028 C2* C A 611 130.257 96.769 6.325 0.00 0.00 C ATOM 13029 O2* C A 611 131.299 97.457 5.639 0.00 0.00 O ATOM 13030 C1* C A 611 129.592 95.883 5.280 0.00 0.00 C ATOM 13031 N1 C A 611 128.107 95.840 5.414 0.00 0.00 N ATOM 13032 C2 C A 611 127.356 96.923 4.931 0.00 0.00 C ATOM 13033 O2 C A 611 127.914 97.911 4.454 0.00 0.00 O ATOM 13034 N3 C A 611 125.996 96.881 4.976 0.00 0.00 N ATOM 13035 C4 C A 611 125.399 95.790 5.447 0.00 0.00 C ATOM 13036 N4 C A 611 124.093 95.804 5.535 0.00 0.00 N ATOM 13037 C5 C A 611 126.120 94.661 5.933 0.00 0.00 C ATOM 13038 C6 C A 611 127.471 94.727 5.906 0.00 0.00 C ATOM 13039 P C A 612 131.937 97.230 9.272 0.00 0.00 P ATOM 13040 O1P C A 612 133.234 97.955 9.256 0.00 0.00 O ATOM 13041 O2P C A 612 131.533 96.458 10.460 0.00 0.00 O ATOM 13042 O5* C A 612 130.778 98.295 8.933 0.00 0.00 O ATOM 13043 C5* C A 612 131.042 99.491 8.226 0.00 0.00 C ATOM 13044 C4* C A 612 129.765 100.280 7.899 0.00 0.00 C ATOM 13045 O4* C A 612 128.833 99.589 7.073 0.00 0.00 O ATOM 13046 C3* C A 612 128.994 100.682 9.141 0.00 0.00 C ATOM 13047 O3* C A 612 129.657 101.741 9.800 0.00 0.00 O ATOM 13048 C2* C A 612 127.640 101.034 8.508 0.00 0.00 C ATOM 13049 O2* C A 612 127.657 102.263 7.791 0.00 0.00 O ATOM 13050 C1* C A 612 127.500 99.912 7.476 0.00 0.00 C ATOM 13051 N1 C A 612 126.766 98.722 8.015 0.00 0.00 N ATOM 13052 C2 C A 612 125.361 98.692 7.946 0.00 0.00 C ATOM 13053 O2 C A 612 124.698 99.692 7.658 0.00 0.00 O ATOM 13054 N3 C A 612 124.698 97.540 8.239 0.00 0.00 N ATOM 13055 C4 C A 612 125.381 96.470 8.632 0.00 0.00 C ATOM 13056 N4 C A 612 124.714 95.361 8.855 0.00 0.00 N ATOM 13057 C5 C A 612 126.790 96.491 8.833 0.00 0.00 C ATOM 13058 C6 C A 612 127.443 97.636 8.522 0.00 0.00 C ATOM 13059 P C A 613 129.526 101.936 11.382 0.00 0.00 P ATOM 13060 O1P C A 613 130.393 103.065 11.776 0.00 0.00 O ATOM 13061 O2P C A 613 129.697 100.612 12.014 0.00 0.00 O ATOM 13062 O5* C A 613 127.986 102.371 11.515 0.00 0.00 O ATOM 13063 C5* C A 613 127.519 103.623 11.046 0.00 0.00 C ATOM 13064 C4* C A 613 125.990 103.746 11.168 0.00 0.00 C ATOM 13065 O4* C A 613 125.291 102.856 10.293 0.00 0.00 O ATOM 13066 C3* C A 613 125.461 103.461 12.571 0.00 0.00 C ATOM 13067 O3* C A 613 125.653 104.542 13.467 0.00 0.00 O ATOM 13068 C2* C A 613 123.993 103.159 12.248 0.00 0.00 C ATOM 13069 O2* C A 613 123.215 104.307 11.943 0.00 0.00 O ATOM 13070 C1* C A 613 124.114 102.370 10.949 0.00 0.00 C ATOM 13071 N1 C A 613 124.189 100.899 11.203 0.00 0.00 N ATOM 13072 C2 C A 613 123.005 100.146 11.327 0.00 0.00 C ATOM 13073 O2 C A 613 121.889 100.673 11.386 0.00 0.00 O ATOM 13074 N3 C A 613 123.082 98.790 11.413 0.00 0.00 N ATOM 13075 C4 C A 613 124.276 98.202 11.425 0.00 0.00 C ATOM 13076 N4 C A 613 124.322 96.898 11.530 0.00 0.00 N ATOM 13077 C5 C A 613 125.497 98.927 11.387 0.00 0.00 C ATOM 13078 C6 C A 613 125.408 100.271 11.296 0.00 0.00 C ATOM 13079 P C A 614 125.682 104.295 15.055 0.00 0.00 P ATOM 13080 O1P C A 614 125.981 105.581 15.718 0.00 0.00 O ATOM 13081 O2P C A 614 126.514 103.102 15.314 0.00 0.00 O ATOM 13082 O5* C A 614 124.158 103.892 15.354 0.00 0.00 O ATOM 13083 C5* C A 614 123.100 104.825 15.302 0.00 0.00 C ATOM 13084 C4* C A 614 121.751 104.106 15.470 0.00 0.00 C ATOM 13085 O4* C A 614 121.511 103.113 14.468 0.00 0.00 O ATOM 13086 C3* C A 614 121.622 103.389 16.809 0.00 0.00 C ATOM 13087 O3* C A 614 121.361 104.295 17.867 0.00 0.00 O ATOM 13088 C2* C A 614 120.471 102.427 16.488 0.00 0.00 C ATOM 13089 O2* C A 614 119.198 103.057 16.409 0.00 0.00 O ATOM 13090 C1* C A 614 120.833 101.997 15.064 0.00 0.00 C ATOM 13091 N1 C A 614 121.660 100.748 15.044 0.00 0.00 N ATOM 13092 C2 C A 614 121.021 99.495 15.114 0.00 0.00 C ATOM 13093 O2 C A 614 119.811 99.388 15.336 0.00 0.00 O ATOM 13094 N3 C A 614 121.744 98.354 14.943 0.00 0.00 N ATOM 13095 C4 C A 614 123.058 98.441 14.749 0.00 0.00 C ATOM 13096 N4 C A 614 123.728 97.323 14.612 0.00 0.00 N ATOM 13097 C5 C A 614 123.757 99.681 14.725 0.00 0.00 C ATOM 13098 C6 C A 614 123.027 100.804 14.903 0.00 0.00 C ATOM 13099 P G A 615 121.904 104.027 19.356 0.00 0.00 P ATOM 13100 O1P G A 615 121.625 105.227 20.171 0.00 0.00 O ATOM 13101 O2P G A 615 123.276 103.491 19.260 0.00 0.00 O ATOM 13102 O5* G A 615 120.944 102.839 19.849 0.00 0.00 O ATOM 13103 C5* G A 615 119.605 103.082 20.226 0.00 0.00 C ATOM 13104 C4* G A 615 118.846 101.762 20.392 0.00 0.00 C ATOM 13105 O4* G A 615 118.854 101.029 19.164 0.00 0.00 O ATOM 13106 C3* G A 615 119.413 100.829 21.464 0.00 0.00 C ATOM 13107 O3* G A 615 119.022 101.141 22.792 0.00 0.00 O ATOM 13108 C2* G A 615 118.847 99.497 20.964 0.00 0.00 C ATOM 13109 O2* G A 615 117.452 99.325 21.187 0.00 0.00 O ATOM 13110 C1* G A 615 119.024 99.645 19.458 0.00 0.00 C ATOM 13111 N9 G A 615 120.350 99.135 19.032 0.00 0.00 N ATOM 13112 C8 G A 615 121.521 99.812 18.783 0.00 0.00 C ATOM 13113 N7 G A 615 122.489 99.058 18.346 0.00 0.00 N ATOM 13114 C5 G A 615 121.945 97.773 18.349 0.00 0.00 C ATOM 13115 C6 G A 615 122.507 96.503 17.983 0.00 0.00 C ATOM 13116 O6 G A 615 123.623 96.241 17.555 0.00 0.00 O ATOM 13117 N1 G A 615 121.625 95.443 18.119 0.00 0.00 N ATOM 13118 C2 G A 615 120.344 95.590 18.592 0.00 0.00 C ATOM 13119 N2 G A 615 119.547 94.545 18.694 0.00 0.00 N ATOM 13120 N3 G A 615 119.791 96.754 18.931 0.00 0.00 N ATOM 13121 C4 G A 615 120.640 97.813 18.784 0.00 0.00 C ATOM 13122 P G A 616 119.848 100.564 24.050 0.00 0.00 P ATOM 13123 O1P G A 616 119.212 101.060 25.289 0.00 0.00 O ATOM 13124 O2P G A 616 121.282 100.807 23.797 0.00 0.00 O ATOM 13125 O5* G A 616 119.605 98.976 23.943 0.00 0.00 O ATOM 13126 C5* G A 616 118.361 98.396 24.285 0.00 0.00 C ATOM 13127 C4* G A 616 118.366 96.898 23.956 0.00 0.00 C ATOM 13128 O4* G A 616 118.751 96.647 22.604 0.00 0.00 O ATOM 13129 C3* G A 616 119.330 96.103 24.826 0.00 0.00 C ATOM 13130 O3* G A 616 118.787 95.779 26.091 0.00 0.00 O ATOM 13131 C2* G A 616 119.536 94.865 23.958 0.00 0.00 C ATOM 13132 O2* G A 616 118.476 93.940 24.029 0.00 0.00 O ATOM 13133 C1* G A 616 119.502 95.436 22.550 0.00 0.00 C ATOM 13134 N9 G A 616 120.899 95.595 22.095 0.00 0.00 N ATOM 13135 C8 G A 616 121.655 96.728 21.956 0.00 0.00 C ATOM 13136 N7 G A 616 122.861 96.502 21.513 0.00 0.00 N ATOM 13137 C5 G A 616 122.941 95.110 21.410 0.00 0.00 C ATOM 13138 C6 G A 616 124.013 94.233 21.010 0.00 0.00 C ATOM 13139 O6 G A 616 125.148 94.488 20.611 0.00 0.00 O ATOM 13140 N1 G A 616 123.671 92.893 21.097 0.00 0.00 N ATOM 13141 C2 G A 616 122.481 92.434 21.592 0.00 0.00 C ATOM 13142 N2 G A 616 122.321 91.129 21.703 0.00 0.00 N ATOM 13143 N3 G A 616 121.442 93.212 21.906 0.00 0.00 N ATOM 13144 C4 G A 616 121.743 94.547 21.800 0.00 0.00 C ATOM 13145 P G A 617 119.744 95.405 27.324 0.00 0.00 P ATOM 13146 O1P G A 617 118.905 95.388 28.539 0.00 0.00 O ATOM 13147 O2P G A 617 120.957 96.243 27.250 0.00 0.00 O ATOM 13148 O5* G A 617 120.153 93.897 26.941 0.00 0.00 O ATOM 13149 C5* G A 617 119.310 92.804 27.248 0.00 0.00 C ATOM 13150 C4* G A 617 120.077 91.485 27.101 0.00 0.00 C ATOM 13151 O4* G A 617 120.570 91.291 25.781 0.00 0.00 O ATOM 13152 C3* G A 617 121.268 91.427 28.063 0.00 0.00 C ATOM 13153 O3* G A 617 120.848 90.992 29.349 0.00 0.00 O ATOM 13154 C2* G A 617 122.170 90.425 27.349 0.00 0.00 C ATOM 13155 O2* G A 617 121.855 89.126 27.789 0.00 0.00 O ATOM 13156 C1* G A 617 121.831 90.641 25.865 0.00 0.00 C ATOM 13157 N9 G A 617 122.868 91.474 25.220 0.00 0.00 N ATOM 13158 C8 G A 617 122.933 92.837 25.082 0.00 0.00 C ATOM 13159 N7 G A 617 123.986 93.252 24.434 0.00 0.00 N ATOM 13160 C5 G A 617 124.700 92.083 24.156 0.00 0.00 C ATOM 13161 C6 G A 617 125.954 91.857 23.491 0.00 0.00 C ATOM 13162 O6 G A 617 126.744 92.661 23.012 0.00 0.00 O ATOM 13163 N1 G A 617 126.293 90.517 23.393 0.00 0.00 N ATOM 13164 C2 G A 617 125.535 89.507 23.906 0.00 0.00 C ATOM 13165 N2 G A 617 126.019 88.288 23.871 0.00 0.00 N ATOM 13166 N3 G A 617 124.376 89.679 24.538 0.00 0.00 N ATOM 13167 C4 G A 617 124.008 90.990 24.628 0.00 0.00 C ATOM 13168 P C A 618 121.774 91.179 30.647 0.00 0.00 P ATOM 13169 O1P C A 618 121.125 90.467 31.771 0.00 0.00 O ATOM 13170 O2P C A 618 122.057 92.621 30.770 0.00 0.00 O ATOM 13171 O5* C A 618 123.158 90.415 30.309 0.00 0.00 O ATOM 13172 C5* C A 618 123.274 89.008 30.450 0.00 0.00 C ATOM 13173 C4* C A 618 124.588 88.458 29.876 0.00 0.00 C ATOM 13174 O4* C A 618 124.838 88.800 28.515 0.00 0.00 O ATOM 13175 C3* C A 618 125.847 88.913 30.599 0.00 0.00 C ATOM 13176 O3* C A 618 125.924 88.369 31.911 0.00 0.00 O ATOM 13177 C2* C A 618 126.884 88.398 29.587 0.00 0.00 C ATOM 13178 O2* C A 618 127.207 87.038 29.754 0.00 0.00 O ATOM 13179 C1* C A 618 126.183 88.432 28.242 0.00 0.00 C ATOM 13180 N1 C A 618 126.931 89.313 27.314 0.00 0.00 N ATOM 13181 C2 C A 618 127.901 88.739 26.477 0.00 0.00 C ATOM 13182 O2 C A 618 128.040 87.521 26.398 0.00 0.00 O ATOM 13183 N3 C A 618 128.708 89.525 25.718 0.00 0.00 N ATOM 13184 C4 C A 618 128.549 90.839 25.787 0.00 0.00 C ATOM 13185 N4 C A 618 129.275 91.555 24.979 0.00 0.00 N ATOM 13186 C5 C A 618 127.586 91.469 26.628 0.00 0.00 C ATOM 13187 C6 C A 618 126.805 90.673 27.390 0.00 0.00 C ATOM 13188 P U A 619 127.238 88.504 32.820 0.00 0.00 P ATOM 13189 O1P U A 619 128.331 87.843 32.063 0.00 0.00 O ATOM 13190 O2P U A 619 126.907 88.003 34.167 0.00 0.00 O ATOM 13191 O5* U A 619 127.525 90.094 32.931 0.00 0.00 O ATOM 13192 C5* U A 619 126.574 91.012 33.471 0.00 0.00 C ATOM 13193 C4* U A 619 127.180 92.396 33.780 0.00 0.00 C ATOM 13194 O4* U A 619 128.018 92.368 34.928 0.00 0.00 O ATOM 13195 C3* U A 619 128.023 92.965 32.645 0.00 0.00 C ATOM 13196 O3* U A 619 127.207 93.563 31.657 0.00 0.00 O ATOM 13197 C2* U A 619 128.959 93.934 33.377 0.00 0.00 C ATOM 13198 O2* U A 619 128.396 95.218 33.620 0.00 0.00 O ATOM 13199 C1* U A 619 129.140 93.218 34.725 0.00 0.00 C ATOM 13200 N1 U A 619 130.391 92.410 34.773 0.00 0.00 N ATOM 13201 C2 U A 619 131.496 92.935 35.453 0.00 0.00 C ATOM 13202 O2 U A 619 131.513 94.047 35.985 0.00 0.00 O ATOM 13203 N3 U A 619 132.621 92.133 35.506 0.00 0.00 N ATOM 13204 C4 U A 619 132.763 90.885 34.945 0.00 0.00 C ATOM 13205 O4 U A 619 133.822 90.284 35.054 0.00 0.00 O ATOM 13206 C5 U A 619 131.587 90.409 34.258 0.00 0.00 C ATOM 13207 C6 U A 619 130.458 91.160 34.192 0.00 0.00 C ATOM 13208 P C A 620 127.408 93.203 30.111 0.00 0.00 P ATOM 13209 O1P C A 620 126.307 93.786 29.323 0.00 0.00 O ATOM 13210 O2P C A 620 127.726 91.765 30.004 0.00 0.00 O ATOM 13211 O5* C A 620 128.737 94.035 29.791 0.00 0.00 O ATOM 13212 C5* C A 620 128.719 95.448 29.838 0.00 0.00 C ATOM 13213 C4* C A 620 130.037 96.015 29.325 0.00 0.00 C ATOM 13214 O4* C A 620 131.121 95.559 30.124 0.00 0.00 O ATOM 13215 C3* C A 620 130.347 95.584 27.896 0.00 0.00 C ATOM 13216 O3* C A 620 129.653 96.311 26.901 0.00 0.00 O ATOM 13217 C2* C A 620 131.849 95.846 27.885 0.00 0.00 C ATOM 13218 O2* C A 620 132.202 97.223 27.795 0.00 0.00 O ATOM 13219 C1* C A 620 132.251 95.401 29.278 0.00 0.00 C ATOM 13220 N1 C A 620 132.783 94.010 29.259 0.00 0.00 N ATOM 13221 C2 C A 620 134.168 93.879 29.126 0.00 0.00 C ATOM 13222 O2 C A 620 134.849 94.834 28.756 0.00 0.00 O ATOM 13223 N3 C A 620 134.762 92.707 29.458 0.00 0.00 N ATOM 13224 C4 C A 620 134.032 91.696 29.886 0.00 0.00 C ATOM 13225 N4 C A 620 134.714 90.638 30.248 0.00 0.00 N ATOM 13226 C5 C A 620 132.610 91.747 29.965 0.00 0.00 C ATOM 13227 C6 C A 620 132.020 92.925 29.633 0.00 0.00 C ATOM 13228 P A A 621 129.498 95.730 25.408 0.00 0.00 P ATOM 13229 O1P A A 621 128.941 96.801 24.556 0.00 0.00 O ATOM 13230 O2P A A 621 128.868 94.388 25.483 0.00 0.00 O ATOM 13231 O5* A A 621 131.007 95.450 24.961 0.00 0.00 O ATOM 13232 C5* A A 621 131.914 96.450 24.555 0.00 0.00 C ATOM 13233 C4* A A 621 133.263 95.761 24.304 0.00 0.00 C ATOM 13234 O4* A A 621 133.814 95.149 25.471 0.00 0.00 O ATOM 13235 C3* A A 621 133.139 94.653 23.264 0.00 0.00 C ATOM 13236 O3* A A 621 133.147 95.182 21.952 0.00 0.00 O ATOM 13237 C2* A A 621 134.369 93.823 23.623 0.00 0.00 C ATOM 13238 O2* A A 621 135.556 94.452 23.171 0.00 0.00 O ATOM 13239 C1* A A 621 134.359 93.874 25.151 0.00 0.00 C ATOM 13240 N9 A A 621 133.591 92.744 25.751 0.00 0.00 N ATOM 13241 C8 A A 621 132.265 92.686 26.118 0.00 0.00 C ATOM 13242 N7 A A 621 131.923 91.584 26.725 0.00 0.00 N ATOM 13243 C5 A A 621 133.096 90.832 26.733 0.00 0.00 C ATOM 13244 C6 A A 621 133.434 89.546 27.219 0.00 0.00 C ATOM 13245 N6 A A 621 132.599 88.717 27.832 0.00 0.00 N ATOM 13246 N1 A A 621 134.674 89.073 27.071 0.00 0.00 N ATOM 13247 C2 A A 621 135.565 89.843 26.454 0.00 0.00 C ATOM 13248 N3 A A 621 135.393 91.061 25.925 0.00 0.00 N ATOM 13249 C4 A A 621 134.115 91.515 26.117 0.00 0.00 C ATOM 13250 P A A 622 132.488 94.386 20.734 0.00 0.00 P ATOM 13251 O1P A A 622 132.700 95.163 19.497 0.00 0.00 O ATOM 13252 O2P A A 622 131.122 93.980 21.142 0.00 0.00 O ATOM 13253 O5* A A 622 133.402 93.061 20.673 0.00 0.00 O ATOM 13254 C5* A A 622 134.727 93.105 20.171 0.00 0.00 C ATOM 13255 C4* A A 622 135.440 91.767 20.393 0.00 0.00 C ATOM 13256 O4* A A 622 135.514 91.442 21.783 0.00 0.00 O ATOM 13257 C3* A A 622 134.760 90.575 19.721 0.00 0.00 C ATOM 13258 O3* A A 622 135.050 90.400 18.339 0.00 0.00 O ATOM 13259 C2* A A 622 135.392 89.453 20.556 0.00 0.00 C ATOM 13260 O2* A A 622 136.769 89.259 20.199 0.00 0.00 O ATOM 13261 C1* A A 622 135.335 90.042 21.969 0.00 0.00 C ATOM 13262 N9 A A 622 134.063 89.738 22.697 0.00 0.00 N ATOM 13263 C8 A A 622 132.955 90.531 22.893 0.00 0.00 C ATOM 13264 N7 A A 622 132.018 89.990 23.629 0.00 0.00 N ATOM 13265 C5 A A 622 132.531 88.727 23.942 0.00 0.00 C ATOM 13266 C6 A A 622 132.059 87.599 24.672 0.00 0.00 C ATOM 13267 N6 A A 622 130.878 87.471 25.258 0.00 0.00 N ATOM 13268 N1 A A 622 132.817 86.504 24.809 0.00 0.00 N ATOM 13269 C2 A A 622 133.999 86.504 24.208 0.00 0.00 C ATOM 13270 N3 A A 622 134.570 87.467 23.478 0.00 0.00 N ATOM 13271 C4 A A 622 133.776 88.572 23.382 0.00 0.00 C ATOM 13272 P C A 623 133.890 90.150 17.247 0.00 0.00 P ATOM 13273 O1P C A 623 134.499 89.586 16.023 0.00 0.00 O ATOM 13274 O2P C A 623 133.063 91.369 17.167 0.00 0.00 O ATOM 13275 O5* C A 623 132.987 88.996 17.911 0.00 0.00 O ATOM 13276 C5* C A 623 133.408 87.649 18.035 0.00 0.00 C ATOM 13277 C4* C A 623 132.373 86.820 18.821 0.00 0.00 C ATOM 13278 O4* C A 623 132.285 87.181 20.201 0.00 0.00 O ATOM 13279 C3* C A 623 130.967 86.936 18.240 0.00 0.00 C ATOM 13280 O3* C A 623 130.823 86.085 17.115 0.00 0.00 O ATOM 13281 C2* C A 623 130.122 86.545 19.458 0.00 0.00 C ATOM 13282 O2* C A 623 130.067 85.144 19.686 0.00 0.00 O ATOM 13283 C1* C A 623 130.913 87.164 20.611 0.00 0.00 C ATOM 13284 N1 C A 623 130.421 88.537 20.911 0.00 0.00 N ATOM 13285 C2 C A 623 129.267 88.720 21.697 0.00 0.00 C ATOM 13286 O2 C A 623 128.590 87.769 22.090 0.00 0.00 O ATOM 13287 N3 C A 623 128.865 89.973 22.038 0.00 0.00 N ATOM 13288 C4 C A 623 129.587 91.000 21.605 0.00 0.00 C ATOM 13289 N4 C A 623 129.269 92.186 22.026 0.00 0.00 N ATOM 13290 C5 C A 623 130.703 90.870 20.735 0.00 0.00 C ATOM 13291 C6 C A 623 131.097 89.624 20.422 0.00 0.00 C ATOM 13292 P C A 624 129.814 86.432 15.926 0.00 0.00 P ATOM 13293 O1P C A 624 129.883 85.309 14.964 0.00 0.00 O ATOM 13294 O2P C A 624 130.152 87.790 15.447 0.00 0.00 O ATOM 13295 O5* C A 624 128.387 86.474 16.680 0.00 0.00 O ATOM 13296 C5* C A 624 127.759 85.311 17.205 0.00 0.00 C ATOM 13297 C4* C A 624 126.510 85.698 18.015 0.00 0.00 C ATOM 13298 O4* C A 624 126.840 86.534 19.136 0.00 0.00 O ATOM 13299 C3* C A 624 125.490 86.443 17.158 0.00 0.00 C ATOM 13300 O3* C A 624 124.519 85.585 16.562 0.00 0.00 O ATOM 13301 C2* C A 624 124.878 87.398 18.180 0.00 0.00 C ATOM 13302 O2* C A 624 123.784 86.811 18.832 0.00 0.00 O ATOM 13303 C1* C A 624 125.873 87.566 19.315 0.00 0.00 C ATOM 13304 N1 C A 624 126.372 88.964 19.373 0.00 0.00 N ATOM 13305 C2 C A 624 125.596 89.936 20.039 0.00 0.00 C ATOM 13306 O2 C A 624 124.528 89.653 20.597 0.00 0.00 O ATOM 13307 N3 C A 624 125.995 91.231 20.049 0.00 0.00 N ATOM 13308 C4 C A 624 127.134 91.561 19.441 0.00 0.00 C ATOM 13309 N4 C A 624 127.501 92.818 19.478 0.00 0.00 N ATOM 13310 C5 C A 624 127.938 90.613 18.737 0.00 0.00 C ATOM 13311 C6 C A 624 127.516 89.327 18.714 0.00 0.00 C ATOM 13312 P U A 625 123.424 86.179 15.529 0.00 0.00 P ATOM 13313 O1P U A 625 122.844 85.078 14.729 0.00 0.00 O ATOM 13314 O2P U A 625 124.041 87.343 14.872 0.00 0.00 O ATOM 13315 O5* U A 625 122.258 86.763 16.465 0.00 0.00 O ATOM 13316 C5* U A 625 121.322 85.935 17.119 0.00 0.00 C ATOM 13317 C4* U A 625 120.373 86.811 17.949 0.00 0.00 C ATOM 13318 O4* U A 625 121.054 87.662 18.877 0.00 0.00 O ATOM 13319 C3* U A 625 119.539 87.719 17.062 0.00 0.00 C ATOM 13320 O3* U A 625 118.446 86.998 16.523 0.00 0.00 O ATOM 13321 C2* U A 625 119.167 88.857 18.018 0.00 0.00 C ATOM 13322 O2* U A 625 118.081 88.602 18.890 0.00 0.00 O ATOM 13323 C1* U A 625 120.409 88.940 18.898 0.00 0.00 C ATOM 13324 N1 U A 625 121.291 90.054 18.446 0.00 0.00 N ATOM 13325 C2 U A 625 120.951 91.358 18.827 0.00 0.00 C ATOM 13326 O2 U A 625 119.898 91.653 19.393 0.00 0.00 O ATOM 13327 N3 U A 625 121.868 92.354 18.558 0.00 0.00 N ATOM 13328 C4 U A 625 123.069 92.170 17.912 0.00 0.00 C ATOM 13329 O4 U A 625 123.803 93.129 17.758 0.00 0.00 O ATOM 13330 C5 U A 625 123.320 90.818 17.472 0.00 0.00 C ATOM 13331 C6 U A 625 122.434 89.820 17.718 0.00 0.00 C ATOM 13332 P G A 626 117.871 87.367 15.079 0.00 0.00 P ATOM 13333 O1P G A 626 116.781 86.429 14.724 0.00 0.00 O ATOM 13334 O2P G A 626 118.995 87.568 14.151 0.00 0.00 O ATOM 13335 O5* G A 626 117.214 88.777 15.399 0.00 0.00 O ATOM 13336 C5* G A 626 115.971 88.851 16.067 0.00 0.00 C ATOM 13337 C4* G A 626 115.590 90.312 16.257 0.00 0.00 C ATOM 13338 O4* G A 626 116.592 90.994 17.002 0.00 0.00 O ATOM 13339 C3* G A 626 115.468 91.032 14.921 0.00 0.00 C ATOM 13340 O3* G A 626 114.253 90.754 14.248 0.00 0.00 O ATOM 13341 C2* G A 626 115.643 92.476 15.383 0.00 0.00 C ATOM 13342 O2* G A 626 114.509 93.041 16.016 0.00 0.00 O ATOM 13343 C1* G A 626 116.695 92.309 16.474 0.00 0.00 C ATOM 13344 N9 G A 626 118.046 92.587 15.941 0.00 0.00 N ATOM 13345 C8 G A 626 119.061 91.741 15.573 0.00 0.00 C ATOM 13346 N7 G A 626 120.185 92.353 15.310 0.00 0.00 N ATOM 13347 C5 G A 626 119.865 93.712 15.400 0.00 0.00 C ATOM 13348 C6 G A 626 120.639 94.910 15.196 0.00 0.00 C ATOM 13349 O6 G A 626 121.832 95.047 14.929 0.00 0.00 O ATOM 13350 N1 G A 626 119.905 96.070 15.393 0.00 0.00 N ATOM 13351 C2 G A 626 118.589 96.086 15.770 0.00 0.00 C ATOM 13352 N2 G A 626 117.993 97.238 15.957 0.00 0.00 N ATOM 13353 N3 G A 626 117.858 95.001 15.996 0.00 0.00 N ATOM 13354 C4 G A 626 118.548 93.848 15.776 0.00 0.00 C ATOM 13355 P G A 627 114.153 90.931 12.659 0.00 0.00 P ATOM 13356 O1P G A 627 112.780 90.569 12.248 0.00 0.00 O ATOM 13357 O2P G A 627 115.320 90.241 12.063 0.00 0.00 O ATOM 13358 O5* G A 627 114.340 92.525 12.506 0.00 0.00 O ATOM 13359 C5* G A 627 113.296 93.414 12.869 0.00 0.00 C ATOM 13360 C4* G A 627 113.760 94.873 12.834 0.00 0.00 C ATOM 13361 O4* G A 627 114.884 95.095 13.682 0.00 0.00 O ATOM 13362 C3* G A 627 114.182 95.336 11.449 0.00 0.00 C ATOM 13363 O3* G A 627 113.084 95.594 10.597 0.00 0.00 O ATOM 13364 C2* G A 627 114.992 96.578 11.827 0.00 0.00 C ATOM 13365 O2* G A 627 114.228 97.704 12.228 0.00 0.00 O ATOM 13366 C1* G A 627 115.702 96.096 13.083 0.00 0.00 C ATOM 13367 N9 G A 627 117.061 95.628 12.727 0.00 0.00 N ATOM 13368 C8 G A 627 117.559 94.365 12.545 0.00 0.00 C ATOM 13369 N7 G A 627 118.839 94.338 12.278 0.00 0.00 N ATOM 13370 C5 G A 627 119.214 95.684 12.226 0.00 0.00 C ATOM 13371 C6 G A 627 120.475 96.339 11.968 0.00 0.00 C ATOM 13372 O6 G A 627 121.593 95.869 11.749 0.00 0.00 O ATOM 13373 N1 G A 627 120.375 97.721 11.977 0.00 0.00 N ATOM 13374 C2 G A 627 119.212 98.401 12.210 0.00 0.00 C ATOM 13375 N2 G A 627 119.214 99.707 12.090 0.00 0.00 N ATOM 13376 N3 G A 627 118.046 97.832 12.490 0.00 0.00 N ATOM 13377 C4 G A 627 118.112 96.471 12.479 0.00 0.00 C ATOM 13378 P G A 628 113.287 95.657 9.009 0.00 0.00 P ATOM 13379 O1P G A 628 111.961 95.849 8.387 0.00 0.00 O ATOM 13380 O2P G A 628 114.151 94.527 8.610 0.00 0.00 O ATOM 13381 O5* G A 628 114.145 97.003 8.844 0.00 0.00 O ATOM 13382 C5* G A 628 113.557 98.280 8.989 0.00 0.00 C ATOM 13383 C4* G A 628 114.647 99.350 8.884 0.00 0.00 C ATOM 13384 O4* G A 628 115.704 99.117 9.819 0.00 0.00 O ATOM 13385 C3* G A 628 115.306 99.366 7.513 0.00 0.00 C ATOM 13386 O3* G A 628 114.561 100.008 6.495 0.00 0.00 O ATOM 13387 C2* G A 628 116.608 100.096 7.855 0.00 0.00 C ATOM 13388 O2* G A 628 116.473 101.490 8.101 0.00 0.00 O ATOM 13389 C1* G A 628 116.946 99.461 9.197 0.00 0.00 C ATOM 13390 N9 G A 628 117.867 98.311 8.995 0.00 0.00 N ATOM 13391 C8 G A 628 117.625 96.960 8.980 0.00 0.00 C ATOM 13392 N7 G A 628 118.699 96.229 8.823 0.00 0.00 N ATOM 13393 C5 G A 628 119.734 97.157 8.679 0.00 0.00 C ATOM 13394 C6 G A 628 121.154 97.001 8.462 0.00 0.00 C ATOM 13395 O6 G A 628 121.849 95.985 8.384 0.00 0.00 O ATOM 13396 N1 G A 628 121.806 98.211 8.303 0.00 0.00 N ATOM 13397 C2 G A 628 121.186 99.428 8.358 0.00 0.00 C ATOM 13398 N2 G A 628 121.902 100.497 8.103 0.00 0.00 N ATOM 13399 N3 G A 628 119.892 99.608 8.605 0.00 0.00 N ATOM 13400 C4 G A 628 119.214 98.433 8.751 0.00 0.00 C ATOM 13401 P A A 629 114.772 99.588 4.958 0.00 0.00 P ATOM 13402 O1P A A 629 114.557 100.795 4.135 0.00 0.00 O ATOM 13403 O2P A A 629 113.999 98.360 4.690 0.00 0.00 O ATOM 13404 O5* A A 629 116.344 99.204 4.960 0.00 0.00 O ATOM 13405 C5* A A 629 117.221 99.475 3.887 0.00 0.00 C ATOM 13406 C4* A A 629 117.600 100.959 3.791 0.00 0.00 C ATOM 13407 O4* A A 629 118.535 101.314 4.810 0.00 0.00 O ATOM 13408 C3* A A 629 118.303 101.238 2.469 0.00 0.00 C ATOM 13409 O3* A A 629 117.418 101.530 1.398 0.00 0.00 O ATOM 13410 C2* A A 629 119.112 102.480 2.835 0.00 0.00 C ATOM 13411 O2* A A 629 118.365 103.674 2.762 0.00 0.00 O ATOM 13412 C1* A A 629 119.455 102.269 4.296 0.00 0.00 C ATOM 13413 N9 A A 629 120.889 101.890 4.335 0.00 0.00 N ATOM 13414 C8 A A 629 121.941 102.702 3.983 0.00 0.00 C ATOM 13415 N7 A A 629 123.102 102.115 3.948 0.00 0.00 N ATOM 13416 C5 A A 629 122.790 100.799 4.297 0.00 0.00 C ATOM 13417 C6 A A 629 123.561 99.627 4.434 0.00 0.00 C ATOM 13418 N6 A A 629 124.864 99.602 4.213 0.00 0.00 N ATOM 13419 N1 A A 629 122.989 98.465 4.783 0.00 0.00 N ATOM 13420 C2 A A 629 121.673 98.464 4.971 0.00 0.00 C ATOM 13421 N3 A A 629 120.826 99.479 4.861 0.00 0.00 N ATOM 13422 C4 A A 629 121.448 100.643 4.526 0.00 0.00 C ATOM 13423 P A A 630 117.862 101.482 -0.156 0.00 0.00 P ATOM 13424 O1P A A 630 117.220 102.633 -0.821 0.00 0.00 O ATOM 13425 O2P A A 630 117.662 100.103 -0.648 0.00 0.00 O ATOM 13426 O5* A A 630 119.443 101.727 -0.124 0.00 0.00 O ATOM 13427 C5* A A 630 120.084 102.973 -0.302 0.00 0.00 C ATOM 13428 C4* A A 630 121.591 102.689 -0.181 0.00 0.00 C ATOM 13429 O4* A A 630 121.939 101.932 0.978 0.00 0.00 O ATOM 13430 C3* A A 630 122.054 101.857 -1.359 0.00 0.00 C ATOM 13431 O3* A A 630 122.257 102.688 -2.478 0.00 0.00 O ATOM 13432 C2* A A 630 123.311 101.188 -0.803 0.00 0.00 C ATOM 13433 O2* A A 630 124.456 102.036 -0.755 0.00 0.00 O ATOM 13434 C1* A A 630 122.868 100.904 0.632 0.00 0.00 C ATOM 13435 N9 A A 630 122.273 99.544 0.773 0.00 0.00 N ATOM 13436 C8 A A 630 120.952 99.173 0.884 0.00 0.00 C ATOM 13437 N7 A A 630 120.759 97.900 1.101 0.00 0.00 N ATOM 13438 C5 A A 630 122.050 97.372 1.089 0.00 0.00 C ATOM 13439 C6 A A 630 122.586 96.069 1.233 0.00 0.00 C ATOM 13440 N6 A A 630 121.877 94.972 1.464 0.00 0.00 N ATOM 13441 N1 A A 630 123.902 95.864 1.145 0.00 0.00 N ATOM 13442 C2 A A 630 124.679 96.917 0.921 0.00 0.00 C ATOM 13443 N3 A A 630 124.326 98.193 0.768 0.00 0.00 N ATOM 13444 C4 A A 630 122.976 98.360 0.869 0.00 0.00 C ATOM 13445 P C A 631 121.771 102.217 -3.925 0.00 0.00 P ATOM 13446 O1P C A 631 122.056 103.306 -4.876 0.00 0.00 O ATOM 13447 O2P C A 631 120.410 101.658 -3.801 0.00 0.00 O ATOM 13448 O5* C A 631 122.775 100.999 -4.179 0.00 0.00 O ATOM 13449 C5* C A 631 124.178 101.185 -4.187 0.00 0.00 C ATOM 13450 C4* C A 631 124.869 99.831 -4.436 0.00 0.00 C ATOM 13451 O4* C A 631 124.607 99.049 -3.264 0.00 0.00 O ATOM 13452 C3* C A 631 124.375 99.033 -5.663 0.00 0.00 C ATOM 13453 O3* C A 631 125.042 99.178 -6.934 0.00 0.00 O ATOM 13454 C2* C A 631 124.556 97.596 -5.123 0.00 0.00 C ATOM 13455 O2* C A 631 125.882 97.092 -5.243 0.00 0.00 O ATOM 13456 C1* C A 631 124.349 97.696 -3.610 0.00 0.00 C ATOM 13457 N1 C A 631 123.030 97.173 -3.125 0.00 0.00 N ATOM 13458 C2 C A 631 122.900 95.790 -2.912 0.00 0.00 C ATOM 13459 O2 C A 631 123.839 95.029 -3.146 0.00 0.00 O ATOM 13460 N3 C A 631 121.733 95.279 -2.429 0.00 0.00 N ATOM 13461 C4 C A 631 120.737 96.096 -2.129 0.00 0.00 C ATOM 13462 N4 C A 631 119.645 95.541 -1.649 0.00 0.00 N ATOM 13463 C5 C A 631 120.831 97.508 -2.292 0.00 0.00 C ATOM 13464 C6 C A 631 121.987 98.008 -2.800 0.00 0.00 C ATOM 13465 P U A 632 125.664 100.567 -7.517 0.00 0.00 P ATOM 13466 O1P U A 632 127.105 100.604 -7.179 0.00 0.00 O ATOM 13467 O2P U A 632 124.813 101.680 -7.076 0.00 0.00 O ATOM 13468 O5* U A 632 125.484 100.612 -9.127 0.00 0.00 O ATOM 13469 C5* U A 632 125.786 99.558 -10.018 0.00 0.00 C ATOM 13470 C4* U A 632 127.274 99.418 -10.404 0.00 0.00 C ATOM 13471 O4* U A 632 128.073 98.661 -9.489 0.00 0.00 O ATOM 13472 C3* U A 632 127.368 98.634 -11.708 0.00 0.00 C ATOM 13473 O3* U A 632 127.150 99.379 -12.888 0.00 0.00 O ATOM 13474 C2* U A 632 128.793 98.084 -11.658 0.00 0.00 C ATOM 13475 O2* U A 632 129.830 99.018 -11.907 0.00 0.00 O ATOM 13476 C1* U A 632 128.866 97.695 -10.191 0.00 0.00 C ATOM 13477 N1 U A 632 128.462 96.253 -10.075 0.00 0.00 N ATOM 13478 C2 U A 632 127.209 95.885 -9.569 0.00 0.00 C ATOM 13479 O2 U A 632 126.361 96.634 -9.115 0.00 0.00 O ATOM 13480 N3 U A 632 126.898 94.556 -9.587 0.00 0.00 N ATOM 13481 C4 U A 632 127.670 93.522 -10.034 0.00 0.00 C ATOM 13482 O4 U A 632 127.244 92.370 -9.943 0.00 0.00 O ATOM 13483 C5 U A 632 128.948 93.953 -10.566 0.00 0.00 C ATOM 13484 C6 U A 632 129.300 95.271 -10.578 0.00 0.00 C ATOM 13485 P G A 633 126.197 98.833 -14.068 0.00 0.00 P ATOM 13486 O1P G A 633 126.946 99.027 -15.325 0.00 0.00 O ATOM 13487 O2P G A 633 124.866 99.450 -13.876 0.00 0.00 O ATOM 13488 O5* G A 633 126.047 97.241 -13.816 0.00 0.00 O ATOM 13489 C5* G A 633 126.971 96.301 -14.344 0.00 0.00 C ATOM 13490 C4* G A 633 126.529 94.863 -14.052 0.00 0.00 C ATOM 13491 O4* G A 633 126.301 94.625 -12.668 0.00 0.00 O ATOM 13492 C3* G A 633 125.239 94.477 -14.763 0.00 0.00 C ATOM 13493 O3* G A 633 125.454 94.268 -16.151 0.00 0.00 O ATOM 13494 C2* G A 633 124.874 93.220 -13.963 0.00 0.00 C ATOM 13495 O2* G A 633 125.656 92.070 -14.256 0.00 0.00 O ATOM 13496 C1* G A 633 125.259 93.660 -12.550 0.00 0.00 C ATOM 13497 N9 G A 633 124.086 94.221 -11.841 0.00 0.00 N ATOM 13498 C8 G A 633 123.739 95.527 -11.602 0.00 0.00 C ATOM 13499 N7 G A 633 122.592 95.670 -10.990 0.00 0.00 N ATOM 13500 C5 G A 633 122.157 94.358 -10.774 0.00 0.00 C ATOM 13501 C6 G A 633 120.970 93.820 -10.155 0.00 0.00 C ATOM 13502 O6 G A 633 120.016 94.390 -9.626 0.00 0.00 O ATOM 13503 N1 G A 633 120.917 92.439 -10.204 0.00 0.00 N ATOM 13504 C2 G A 633 121.876 91.652 -10.764 0.00 0.00 C ATOM 13505 N2 G A 633 121.720 90.356 -10.672 0.00 0.00 N ATOM 13506 N3 G A 633 122.988 92.110 -11.334 0.00 0.00 N ATOM 13507 C4 G A 633 123.067 93.472 -11.313 0.00 0.00 C ATOM 13508 P C A 634 124.472 94.895 -17.265 0.00 0.00 P ATOM 13509 O1P C A 634 125.182 94.909 -18.559 0.00 0.00 O ATOM 13510 O2P C A 634 123.859 96.119 -16.712 0.00 0.00 O ATOM 13511 O5* C A 634 123.332 93.774 -17.327 0.00 0.00 O ATOM 13512 C5* C A 634 123.607 92.463 -17.763 0.00 0.00 C ATOM 13513 C4* C A 634 122.554 91.498 -17.218 0.00 0.00 C ATOM 13514 O4* C A 634 122.549 91.484 -15.783 0.00 0.00 O ATOM 13515 C3* C A 634 121.117 91.774 -17.675 0.00 0.00 C ATOM 13516 O3* C A 634 120.833 91.313 -18.997 0.00 0.00 O ATOM 13517 C2* C A 634 120.412 90.967 -16.579 0.00 0.00 C ATOM 13518 O2* C A 634 120.650 89.574 -16.737 0.00 0.00 O ATOM 13519 C1* C A 634 121.202 91.338 -15.323 0.00 0.00 C ATOM 13520 N1 C A 634 120.704 92.570 -14.629 0.00 0.00 N ATOM 13521 C2 C A 634 119.581 92.486 -13.784 0.00 0.00 C ATOM 13522 O2 C A 634 118.938 91.442 -13.671 0.00 0.00 O ATOM 13523 N3 C A 634 119.188 93.571 -13.060 0.00 0.00 N ATOM 13524 C4 C A 634 119.883 94.699 -13.157 0.00 0.00 C ATOM 13525 N4 C A 634 119.540 95.715 -12.402 0.00 0.00 N ATOM 13526 C5 C A 634 121.030 94.829 -13.984 0.00 0.00 C ATOM 13527 C6 C A 634 121.396 93.755 -14.715 0.00 0.00 C ATOM 13528 P A A 635 119.580 91.869 -19.852 0.00 0.00 P ATOM 13529 O1P A A 635 119.621 91.246 -21.208 0.00 0.00 O ATOM 13530 O2P A A 635 119.582 93.338 -19.719 0.00 0.00 O ATOM 13531 O5* A A 635 118.289 91.315 -19.048 0.00 0.00 O ATOM 13532 C5* A A 635 117.871 89.966 -19.159 0.00 0.00 C ATOM 13533 C4* A A 635 116.521 89.708 -18.469 0.00 0.00 C ATOM 13534 O4* A A 635 116.565 89.937 -17.064 0.00 0.00 O ATOM 13535 C3* A A 635 115.382 90.564 -19.013 0.00 0.00 C ATOM 13536 O3* A A 635 114.864 90.059 -20.232 0.00 0.00 O ATOM 13537 C2* A A 635 114.387 90.476 -17.852 0.00 0.00 C ATOM 13538 O2* A A 635 113.673 89.243 -17.827 0.00 0.00 O ATOM 13539 C1* A A 635 115.331 90.522 -16.647 0.00 0.00 C ATOM 13540 N9 A A 635 115.576 91.911 -16.182 0.00 0.00 N ATOM 13541 C8 A A 635 116.716 92.662 -16.337 0.00 0.00 C ATOM 13542 N7 A A 635 116.713 93.793 -15.690 0.00 0.00 N ATOM 13543 C5 A A 635 115.461 93.803 -15.078 0.00 0.00 C ATOM 13544 C6 A A 635 114.821 94.711 -14.209 0.00 0.00 C ATOM 13545 N6 A A 635 115.413 95.814 -13.771 0.00 0.00 N ATOM 13546 N1 A A 635 113.585 94.461 -13.767 0.00 0.00 N ATOM 13547 C2 A A 635 112.993 93.336 -14.169 0.00 0.00 C ATOM 13548 N3 A A 635 113.476 92.393 -14.978 0.00 0.00 N ATOM 13549 C4 A A 635 114.742 92.680 -15.395 0.00 0.00 C ATOM 13550 P U A 636 114.166 91.040 -21.287 0.00 0.00 P ATOM 13551 O1P U A 636 113.683 90.218 -22.418 0.00 0.00 O ATOM 13552 O2P U A 636 115.084 92.166 -21.532 0.00 0.00 O ATOM 13553 O5* U A 636 112.897 91.617 -20.480 0.00 0.00 O ATOM 13554 C5* U A 636 111.740 90.844 -20.215 0.00 0.00 C ATOM 13555 C4* U A 636 110.749 91.653 -19.381 0.00 0.00 C ATOM 13556 O4* U A 636 111.255 91.991 -18.098 0.00 0.00 O ATOM 13557 C3* U A 636 110.378 92.972 -20.047 0.00 0.00 C ATOM 13558 O3* U A 636 109.520 92.760 -21.152 0.00 0.00 O ATOM 13559 C2* U A 636 109.754 93.686 -18.848 0.00 0.00 C ATOM 13560 O2* U A 636 108.458 93.203 -18.523 0.00 0.00 O ATOM 13561 C1* U A 636 110.704 93.250 -17.727 0.00 0.00 C ATOM 13562 N1 U A 636 111.765 94.267 -17.485 0.00 0.00 N ATOM 13563 C2 U A 636 111.444 95.326 -16.635 0.00 0.00 C ATOM 13564 O2 U A 636 110.320 95.502 -16.175 0.00 0.00 O ATOM 13565 N3 U A 636 112.454 96.217 -16.348 0.00 0.00 N ATOM 13566 C4 U A 636 113.727 96.204 -16.860 0.00 0.00 C ATOM 13567 O4 U A 636 114.520 97.082 -16.534 0.00 0.00 O ATOM 13568 C5 U A 636 113.977 95.111 -17.778 0.00 0.00 C ATOM 13569 C6 U A 636 113.015 94.193 -18.066 0.00 0.00 C ATOM 13570 P C A 637 109.449 93.794 -22.369 0.00 0.00 P ATOM 13571 O1P C A 637 108.738 93.092 -23.465 0.00 0.00 O ATOM 13572 O2P C A 637 110.814 94.296 -22.610 0.00 0.00 O ATOM 13573 O5* C A 637 108.577 95.013 -21.772 0.00 0.00 O ATOM 13574 C5* C A 637 107.221 94.893 -21.378 0.00 0.00 C ATOM 13575 C4* C A 637 106.774 96.123 -20.564 0.00 0.00 C ATOM 13576 O4* C A 637 107.471 96.245 -19.319 0.00 0.00 O ATOM 13577 C3* C A 637 106.988 97.452 -21.283 0.00 0.00 C ATOM 13578 O3* C A 637 106.028 97.720 -22.288 0.00 0.00 O ATOM 13579 C2* C A 637 106.929 98.417 -20.094 0.00 0.00 C ATOM 13580 O2* C A 637 105.620 98.624 -19.578 0.00 0.00 O ATOM 13581 C1* C A 637 107.703 97.632 -19.037 0.00 0.00 C ATOM 13582 N1 C A 637 109.160 97.975 -19.054 0.00 0.00 N ATOM 13583 C2 C A 637 109.617 99.097 -18.341 0.00 0.00 C ATOM 13584 O2 C A 637 108.840 99.890 -17.802 0.00 0.00 O ATOM 13585 N3 C A 637 110.953 99.336 -18.243 0.00 0.00 N ATOM 13586 C4 C A 637 111.814 98.505 -18.825 0.00 0.00 C ATOM 13587 N4 C A 637 113.094 98.759 -18.693 0.00 0.00 N ATOM 13588 C5 C A 637 111.396 97.389 -19.602 0.00 0.00 C ATOM 13589 C6 C A 637 110.064 97.180 -19.716 0.00 0.00 C ATOM 13590 P U A 638 106.365 98.750 -23.471 0.00 0.00 P ATOM 13591 O1P U A 638 105.184 98.844 -24.354 0.00 0.00 O ATOM 13592 O2P U A 638 107.687 98.388 -24.020 0.00 0.00 O ATOM 13593 O5* U A 638 106.527 100.134 -22.666 0.00 0.00 O ATOM 13594 C5* U A 638 105.397 100.824 -22.169 0.00 0.00 C ATOM 13595 C4* U A 638 105.821 102.068 -21.382 0.00 0.00 C ATOM 13596 O4* U A 638 106.679 101.763 -20.280 0.00 0.00 O ATOM 13597 C3* U A 638 106.596 103.069 -22.228 0.00 0.00 C ATOM 13598 O3* U A 638 105.805 103.800 -23.145 0.00 0.00 O ATOM 13599 C2* U A 638 107.188 103.925 -21.110 0.00 0.00 C ATOM 13600 O2* U A 638 106.246 104.775 -20.463 0.00 0.00 O ATOM 13601 C1* U A 638 107.594 102.849 -20.103 0.00 0.00 C ATOM 13602 N1 U A 638 109.027 102.477 -20.300 0.00 0.00 N ATOM 13603 C2 U A 638 109.994 103.368 -19.818 0.00 0.00 C ATOM 13604 O2 U A 638 109.721 104.448 -19.298 0.00 0.00 O ATOM 13605 N3 U A 638 111.312 102.988 -19.960 0.00 0.00 N ATOM 13606 C4 U A 638 111.774 101.835 -20.545 0.00 0.00 C ATOM 13607 O4 U A 638 112.982 101.618 -20.586 0.00 0.00 O ATOM 13608 C5 U A 638 110.723 100.991 -21.077 0.00 0.00 C ATOM 13609 C6 U A 638 109.410 101.327 -20.959 0.00 0.00 C ATOM 13610 P G A 639 106.480 104.486 -24.434 0.00 0.00 P ATOM 13611 O1P G A 639 105.420 105.192 -25.184 0.00 0.00 O ATOM 13612 O2P G A 639 107.319 103.471 -25.100 0.00 0.00 O ATOM 13613 O5* G A 639 107.461 105.578 -23.775 0.00 0.00 O ATOM 13614 C5* G A 639 106.943 106.738 -23.153 0.00 0.00 C ATOM 13615 C4* G A 639 108.053 107.535 -22.462 0.00 0.00 C ATOM 13616 O4* G A 639 108.838 106.721 -21.595 0.00 0.00 O ATOM 13617 C3* G A 639 109.040 108.173 -23.427 0.00 0.00 C ATOM 13618 O3* G A 639 108.532 109.322 -24.074 0.00 0.00 O ATOM 13619 C2* G A 639 110.184 108.474 -22.457 0.00 0.00 C ATOM 13620 O2* G A 639 109.955 109.561 -21.572 0.00 0.00 O ATOM 13621 C1* G A 639 110.171 107.215 -21.595 0.00 0.00 C ATOM 13622 N9 G A 639 111.172 106.249 -22.105 0.00 0.00 N ATOM 13623 C8 G A 639 111.033 105.030 -22.715 0.00 0.00 C ATOM 13624 N7 G A 639 112.170 104.426 -22.955 0.00 0.00 N ATOM 13625 C5 G A 639 113.143 105.322 -22.494 0.00 0.00 C ATOM 13626 C6 G A 639 114.587 105.268 -22.438 0.00 0.00 C ATOM 13627 O6 G A 639 115.370 104.386 -22.791 0.00 0.00 O ATOM 13628 N1 G A 639 115.150 106.403 -21.870 0.00 0.00 N ATOM 13629 C2 G A 639 114.421 107.470 -21.428 0.00 0.00 C ATOM 13630 N2 G A 639 115.037 108.503 -20.911 0.00 0.00 N ATOM 13631 N3 G A 639 113.102 107.555 -21.467 0.00 0.00 N ATOM 13632 C4 G A 639 112.521 106.447 -22.003 0.00 0.00 C ATOM 13633 P A A 640 109.247 109.902 -25.387 0.00 0.00 P ATOM 13634 O1P A A 640 108.453 111.054 -25.862 0.00 0.00 O ATOM 13635 O2P A A 640 109.533 108.767 -26.286 0.00 0.00 O ATOM 13636 O5* A A 640 110.655 110.437 -24.823 0.00 0.00 O ATOM 13637 C5* A A 640 110.743 111.636 -24.081 0.00 0.00 C ATOM 13638 C4* A A 640 112.203 111.948 -23.744 0.00 0.00 C ATOM 13639 O4* A A 640 112.845 110.885 -23.039 0.00 0.00 O ATOM 13640 C3* A A 640 113.054 112.217 -24.980 0.00 0.00 C ATOM 13641 O3* A A 640 112.830 113.504 -25.525 0.00 0.00 O ATOM 13642 C2* A A 640 114.442 112.027 -24.363 0.00 0.00 C ATOM 13643 O2* A A 640 114.832 113.031 -23.437 0.00 0.00 O ATOM 13644 C1* A A 640 114.207 110.821 -23.466 0.00 0.00 C ATOM 13645 N9 A A 640 114.495 109.552 -24.165 0.00 0.00 N ATOM 13646 C8 A A 640 113.608 108.665 -24.723 0.00 0.00 C ATOM 13647 N7 A A 640 114.150 107.540 -25.099 0.00 0.00 N ATOM 13648 C5 A A 640 115.503 107.718 -24.802 0.00 0.00 C ATOM 13649 C6 A A 640 116.646 106.902 -24.926 0.00 0.00 C ATOM 13650 N6 A A 640 116.598 105.662 -25.372 0.00 0.00 N ATOM 13651 N1 A A 640 117.860 107.372 -24.606 0.00 0.00 N ATOM 13652 C2 A A 640 117.932 108.598 -24.102 0.00 0.00 C ATOM 13653 N3 A A 640 116.939 109.459 -23.871 0.00 0.00 N ATOM 13654 C4 A A 640 115.732 108.956 -24.266 0.00 0.00 C ATOM 13655 P U A 641 112.828 113.745 -27.116 0.00 0.00 P ATOM 13656 O1P U A 641 112.535 115.169 -27.370 0.00 0.00 O ATOM 13657 O2P U A 641 112.037 112.685 -27.767 0.00 0.00 O ATOM 13658 O5* U A 641 114.350 113.482 -27.496 0.00 0.00 O ATOM 13659 C5* U A 641 115.359 114.320 -26.984 0.00 0.00 C ATOM 13660 C4* U A 641 116.713 113.868 -27.525 0.00 0.00 C ATOM 13661 O4* U A 641 116.939 112.518 -27.131 0.00 0.00 O ATOM 13662 C3* U A 641 116.742 113.954 -29.057 0.00 0.00 C ATOM 13663 O3* U A 641 117.982 114.481 -29.471 0.00 0.00 O ATOM 13664 C2* U A 641 116.573 112.495 -29.474 0.00 0.00 C ATOM 13665 O2* U A 641 117.196 112.210 -30.717 0.00 0.00 O ATOM 13666 C1* U A 641 117.190 111.740 -28.287 0.00 0.00 C ATOM 13667 N1 U A 641 116.690 110.341 -28.098 0.00 0.00 N ATOM 13668 C2 U A 641 117.613 109.349 -27.734 0.00 0.00 C ATOM 13669 O2 U A 641 118.768 109.593 -27.388 0.00 0.00 O ATOM 13670 N3 U A 641 117.172 108.034 -27.773 0.00 0.00 N ATOM 13671 C4 U A 641 115.889 107.623 -28.077 0.00 0.00 C ATOM 13672 O4 U A 641 115.616 106.426 -28.107 0.00 0.00 O ATOM 13673 C5 U A 641 114.966 108.708 -28.326 0.00 0.00 C ATOM 13674 C6 U A 641 115.370 110.005 -28.321 0.00 0.00 C ATOM 13675 P A A 642 118.069 115.932 -30.139 0.00 0.00 P ATOM 13676 O1P A A 642 117.323 116.872 -29.276 0.00 0.00 O ATOM 13677 O2P A A 642 117.776 115.830 -31.580 0.00 0.00 O ATOM 13678 O5* A A 642 119.632 116.177 -29.933 0.00 0.00 O ATOM 13679 C5* A A 642 120.160 117.447 -29.627 0.00 0.00 C ATOM 13680 C4* A A 642 121.472 117.261 -28.872 0.00 0.00 C ATOM 13681 O4* A A 642 121.253 116.756 -27.554 0.00 0.00 O ATOM 13682 C3* A A 642 122.446 116.298 -29.558 0.00 0.00 C ATOM 13683 O3* A A 642 123.105 116.882 -30.674 0.00 0.00 O ATOM 13684 C2* A A 642 123.343 116.027 -28.347 0.00 0.00 C ATOM 13685 O2* A A 642 124.144 117.166 -28.060 0.00 0.00 O ATOM 13686 C1* A A 642 122.305 115.853 -27.230 0.00 0.00 C ATOM 13687 N9 A A 642 121.770 114.468 -27.144 0.00 0.00 N ATOM 13688 C8 A A 642 120.574 113.986 -27.618 0.00 0.00 C ATOM 13689 N7 A A 642 120.308 112.756 -27.269 0.00 0.00 N ATOM 13690 C5 A A 642 121.407 112.400 -26.485 0.00 0.00 C ATOM 13691 C6 A A 642 121.766 111.242 -25.754 0.00 0.00 C ATOM 13692 N6 A A 642 121.045 110.140 -25.691 0.00 0.00 N ATOM 13693 N1 A A 642 122.916 111.196 -25.077 0.00 0.00 N ATOM 13694 C2 A A 642 123.713 112.251 -25.140 0.00 0.00 C ATOM 13695 N3 A A 642 123.517 113.402 -25.781 0.00 0.00 N ATOM 13696 C4 A A 642 122.319 113.422 -26.432 0.00 0.00 C ATOM 13697 P C A 643 123.770 115.992 -31.843 0.00 0.00 P ATOM 13698 O1P C A 643 124.571 116.864 -32.723 0.00 0.00 O ATOM 13699 O2P C A 643 122.789 115.049 -32.424 0.00 0.00 O ATOM 13700 O5* C A 643 124.786 115.068 -31.049 0.00 0.00 O ATOM 13701 C5* C A 643 126.030 115.537 -30.612 0.00 0.00 C ATOM 13702 C4* C A 643 126.813 114.439 -29.899 0.00 0.00 C ATOM 13703 O4* C A 643 126.261 113.992 -28.656 0.00 0.00 O ATOM 13704 C3* C A 643 126.959 113.217 -30.810 0.00 0.00 C ATOM 13705 O3* C A 643 127.899 113.447 -31.859 0.00 0.00 O ATOM 13706 C2* C A 643 127.409 112.230 -29.740 0.00 0.00 C ATOM 13707 O2* C A 643 128.768 112.554 -29.492 0.00 0.00 O ATOM 13708 C1* C A 643 126.448 112.575 -28.577 0.00 0.00 C ATOM 13709 N1 C A 643 125.109 111.884 -28.682 0.00 0.00 N ATOM 13710 C2 C A 643 124.927 110.597 -28.138 0.00 0.00 C ATOM 13711 O2 C A 643 125.842 109.995 -27.573 0.00 0.00 O ATOM 13712 N3 C A 643 123.715 109.974 -28.242 0.00 0.00 N ATOM 13713 C4 C A 643 122.702 110.600 -28.842 0.00 0.00 C ATOM 13714 N4 C A 643 121.531 110.009 -28.917 0.00 0.00 N ATOM 13715 C5 C A 643 122.836 111.900 -29.395 0.00 0.00 C ATOM 13716 C6 C A 643 124.039 112.505 -29.289 0.00 0.00 C ATOM 13717 P U A 644 127.934 112.514 -33.155 0.00 0.00 P ATOM 13718 O1P U A 644 129.062 112.939 -34.030 0.00 0.00 O ATOM 13719 O2P U A 644 126.546 112.483 -33.684 0.00 0.00 O ATOM 13720 O5* U A 644 128.256 111.065 -32.543 0.00 0.00 O ATOM 13721 C5* U A 644 129.542 110.676 -32.081 0.00 0.00 C ATOM 13722 C4* U A 644 129.514 109.198 -31.668 0.00 0.00 C ATOM 13723 O4* U A 644 128.667 108.971 -30.542 0.00 0.00 O ATOM 13724 C3* U A 644 128.975 108.302 -32.777 0.00 0.00 C ATOM 13725 O3* U A 644 129.899 108.048 -33.819 0.00 0.00 O ATOM 13726 C2* U A 644 128.577 107.070 -31.965 0.00 0.00 C ATOM 13727 O2* U A 644 129.669 106.256 -31.551 0.00 0.00 O ATOM 13728 C1* U A 644 127.982 107.730 -30.718 0.00 0.00 C ATOM 13729 N1 U A 644 126.504 107.889 -30.862 0.00 0.00 N ATOM 13730 C2 U A 644 125.722 106.740 -30.714 0.00 0.00 C ATOM 13731 O2 U A 644 126.194 105.625 -30.503 0.00 0.00 O ATOM 13732 N3 U A 644 124.359 106.896 -30.840 0.00 0.00 N ATOM 13733 C4 U A 644 123.689 108.059 -31.128 0.00 0.00 C ATOM 13734 O4 U A 644 122.467 108.028 -31.248 0.00 0.00 O ATOM 13735 C5 U A 644 124.560 109.210 -31.284 0.00 0.00 C ATOM 13736 C6 U A 644 125.912 109.097 -31.170 0.00 0.00 C ATOM 13737 P G A 645 129.371 107.819 -35.319 0.00 0.00 P ATOM 13738 O1P G A 645 130.510 107.433 -36.180 0.00 0.00 O ATOM 13739 O2P G A 645 128.523 108.974 -35.685 0.00 0.00 O ATOM 13740 O5* G A 645 128.421 106.537 -35.134 0.00 0.00 O ATOM 13741 C5* G A 645 128.973 105.258 -34.880 0.00 0.00 C ATOM 13742 C4* G A 645 127.874 104.196 -34.838 0.00 0.00 C ATOM 13743 O4* G A 645 126.898 104.471 -33.835 0.00 0.00 O ATOM 13744 C3* G A 645 127.127 104.086 -36.162 0.00 0.00 C ATOM 13745 O3* G A 645 127.888 103.392 -37.148 0.00 0.00 O ATOM 13746 C2* G A 645 125.867 103.364 -35.666 0.00 0.00 C ATOM 13747 O2* G A 645 126.068 101.980 -35.417 0.00 0.00 O ATOM 13748 C1* G A 645 125.630 104.022 -34.301 0.00 0.00 C ATOM 13749 N9 G A 645 124.657 105.138 -34.388 0.00 0.00 N ATOM 13750 C8 G A 645 124.854 106.482 -34.200 0.00 0.00 C ATOM 13751 N7 G A 645 123.763 107.198 -34.273 0.00 0.00 N ATOM 13752 C5 G A 645 122.759 106.265 -34.563 0.00 0.00 C ATOM 13753 C6 G A 645 121.335 106.396 -34.778 0.00 0.00 C ATOM 13754 O6 G A 645 120.600 107.375 -34.722 0.00 0.00 O ATOM 13755 N1 G A 645 120.709 105.201 -35.096 0.00 0.00 N ATOM 13756 C2 G A 645 121.350 104.003 -35.101 0.00 0.00 C ATOM 13757 N2 G A 645 120.608 102.953 -35.358 0.00 0.00 N ATOM 13758 N3 G A 645 122.649 103.827 -34.871 0.00 0.00 N ATOM 13759 C4 G A 645 123.308 105.001 -34.628 0.00 0.00 C ATOM 13760 P G A 646 127.571 103.544 -38.714 0.00 0.00 P ATOM 13761 O1P G A 646 128.444 102.657 -39.517 0.00 0.00 O ATOM 13762 O2P G A 646 127.545 104.960 -39.116 0.00 0.00 O ATOM 13763 O5* G A 646 126.083 103.011 -38.888 0.00 0.00 O ATOM 13764 C5* G A 646 125.747 101.644 -38.777 0.00 0.00 C ATOM 13765 C4* G A 646 124.225 101.499 -38.884 0.00 0.00 C ATOM 13766 O4* G A 646 123.560 102.176 -37.821 0.00 0.00 O ATOM 13767 C3* G A 646 123.674 102.092 -40.178 0.00 0.00 C ATOM 13768 O3* G A 646 123.847 101.228 -41.284 0.00 0.00 O ATOM 13769 C2* G A 646 122.221 102.356 -39.781 0.00 0.00 C ATOM 13770 O2* G A 646 121.401 101.201 -39.701 0.00 0.00 O ATOM 13771 C1* G A 646 122.415 102.838 -38.348 0.00 0.00 C ATOM 13772 N9 G A 646 122.556 104.310 -38.299 0.00 0.00 N ATOM 13773 C8 G A 646 123.679 105.097 -38.204 0.00 0.00 C ATOM 13774 N7 G A 646 123.425 106.366 -38.054 0.00 0.00 N ATOM 13775 C5 G A 646 122.033 106.432 -38.052 0.00 0.00 C ATOM 13776 C6 G A 646 121.137 107.537 -37.884 0.00 0.00 C ATOM 13777 O6 G A 646 121.391 108.725 -37.725 0.00 0.00 O ATOM 13778 N1 G A 646 119.805 107.171 -37.932 0.00 0.00 N ATOM 13779 C2 G A 646 119.369 105.900 -38.178 0.00 0.00 C ATOM 13780 N2 G A 646 118.077 105.656 -38.257 0.00 0.00 N ATOM 13781 N3 G A 646 120.173 104.852 -38.340 0.00 0.00 N ATOM 13782 C4 G A 646 121.497 105.181 -38.255 0.00 0.00 C ATOM 13783 P C A 647 123.972 101.822 -42.765 0.00 0.00 P ATOM 13784 O1P C A 647 124.218 100.702 -43.692 0.00 0.00 O ATOM 13785 O2P C A 647 124.926 102.959 -42.703 0.00 0.00 O ATOM 13786 O5* C A 647 122.486 102.387 -43.016 0.00 0.00 O ATOM 13787 C5* C A 647 121.371 101.531 -43.225 0.00 0.00 C ATOM 13788 C4* C A 647 120.077 102.346 -43.395 0.00 0.00 C ATOM 13789 O4* C A 647 119.745 103.074 -42.210 0.00 0.00 O ATOM 13790 C3* C A 647 120.156 103.376 -44.520 0.00 0.00 C ATOM 13791 O3* C A 647 120.018 102.810 -45.814 0.00 0.00 O ATOM 13792 C2* C A 647 119.019 104.316 -44.099 0.00 0.00 C ATOM 13793 O2* C A 647 117.714 103.822 -44.354 0.00 0.00 O ATOM 13794 C1* C A 647 119.169 104.328 -42.579 0.00 0.00 C ATOM 13795 N1 C A 647 120.007 105.474 -42.122 0.00 0.00 N ATOM 13796 C2 C A 647 119.384 106.681 -41.763 0.00 0.00 C ATOM 13797 O2 C A 647 118.166 106.842 -41.859 0.00 0.00 O ATOM 13798 N3 C A 647 120.124 107.716 -41.289 0.00 0.00 N ATOM 13799 C4 C A 647 121.444 107.577 -41.208 0.00 0.00 C ATOM 13800 N4 C A 647 122.127 108.577 -40.712 0.00 0.00 N ATOM 13801 C5 C A 647 122.127 106.388 -41.584 0.00 0.00 C ATOM 13802 C6 C A 647 121.375 105.365 -42.047 0.00 0.00 C ATOM 13803 P A A 648 120.581 103.573 -47.112 0.00 0.00 P ATOM 13804 O1P A A 648 120.320 102.736 -48.302 0.00 0.00 O ATOM 13805 O2P A A 648 121.944 104.063 -46.824 0.00 0.00 O ATOM 13806 O5* A A 648 119.602 104.839 -47.159 0.00 0.00 O ATOM 13807 C5* A A 648 118.284 104.725 -47.655 0.00 0.00 C ATOM 13808 C4* A A 648 117.565 106.068 -47.530 0.00 0.00 C ATOM 13809 O4* A A 648 117.488 106.493 -46.171 0.00 0.00 O ATOM 13810 C3* A A 648 118.278 107.180 -48.291 0.00 0.00 C ATOM 13811 O3* A A 648 118.055 107.142 -49.687 0.00 0.00 O ATOM 13812 C2* A A 648 117.680 108.398 -47.589 0.00 0.00 C ATOM 13813 O2* A A 648 116.338 108.693 -47.954 0.00 0.00 O ATOM 13814 C1* A A 648 117.647 107.908 -46.146 0.00 0.00 C ATOM 13815 N9 A A 648 118.887 108.312 -45.450 0.00 0.00 N ATOM 13816 C8 A A 648 120.049 107.615 -45.224 0.00 0.00 C ATOM 13817 N7 A A 648 120.900 108.235 -44.454 0.00 0.00 N ATOM 13818 C5 A A 648 120.292 109.477 -44.243 0.00 0.00 C ATOM 13819 C6 A A 648 120.656 110.660 -43.566 0.00 0.00 C ATOM 13820 N6 A A 648 121.742 110.790 -42.829 0.00 0.00 N ATOM 13821 N1 A A 648 119.866 111.743 -43.617 0.00 0.00 N ATOM 13822 C2 A A 648 118.731 111.661 -44.302 0.00 0.00 C ATOM 13823 N3 A A 648 118.247 110.613 -44.956 0.00 0.00 N ATOM 13824 C4 A A 648 119.089 109.545 -44.889 0.00 0.00 C ATOM 13825 P A A 649 119.089 107.844 -50.695 0.00 0.00 P ATOM 13826 O1P A A 649 118.577 107.663 -52.070 0.00 0.00 O ATOM 13827 O2P A A 649 120.455 107.407 -50.336 0.00 0.00 O ATOM 13828 O5* A A 649 118.941 109.392 -50.282 0.00 0.00 O ATOM 13829 C5* A A 649 117.797 110.137 -50.655 0.00 0.00 C ATOM 13830 C4* A A 649 117.843 111.545 -50.058 0.00 0.00 C ATOM 13831 O4* A A 649 117.948 111.531 -48.635 0.00 0.00 O ATOM 13832 C3* A A 649 119.031 112.359 -50.549 0.00 0.00 C ATOM 13833 O3* A A 649 118.890 112.830 -51.877 0.00 0.00 O ATOM 13834 C2* A A 649 119.018 113.466 -49.497 0.00 0.00 C ATOM 13835 O2* A A 649 117.987 114.428 -49.671 0.00 0.00 O ATOM 13836 C1* A A 649 118.666 112.693 -48.232 0.00 0.00 C ATOM 13837 N9 A A 649 119.904 112.373 -47.492 0.00 0.00 N ATOM 13838 C8 A A 649 120.636 111.211 -47.464 0.00 0.00 C ATOM 13839 N7 A A 649 121.678 111.259 -46.679 0.00 0.00 N ATOM 13840 C5 A A 649 121.647 112.564 -46.175 0.00 0.00 C ATOM 13841 C6 A A 649 122.448 113.302 -45.274 0.00 0.00 C ATOM 13842 N6 A A 649 123.505 112.813 -44.649 0.00 0.00 N ATOM 13843 N1 A A 649 122.161 114.585 -45.003 0.00 0.00 N ATOM 13844 C2 A A 649 121.098 115.125 -45.592 0.00 0.00 C ATOM 13845 N3 A A 649 120.247 114.550 -46.434 0.00 0.00 N ATOM 13846 C4 A A 649 120.581 113.253 -46.684 0.00 0.00 C ATOM 13847 P G A 650 120.175 113.287 -52.726 0.00 0.00 P ATOM 13848 O1P G A 650 119.712 113.716 -54.062 0.00 0.00 O ATOM 13849 O2P G A 650 121.207 112.239 -52.592 0.00 0.00 O ATOM 13850 O5* G A 650 120.679 114.582 -51.914 0.00 0.00 O ATOM 13851 C5* G A 650 119.963 115.799 -51.982 0.00 0.00 C ATOM 13852 C4* G A 650 120.478 116.803 -50.948 0.00 0.00 C ATOM 13853 O4* G A 650 120.529 116.251 -49.634 0.00 0.00 O ATOM 13854 C3* G A 650 121.882 117.318 -51.223 0.00 0.00 C ATOM 13855 O3* G A 650 121.948 118.251 -52.281 0.00 0.00 O ATOM 13856 C2* G A 650 122.180 117.933 -49.855 0.00 0.00 C ATOM 13857 O2* G A 650 121.458 119.126 -49.570 0.00 0.00 O ATOM 13858 C1* G A 650 121.608 116.861 -48.934 0.00 0.00 C ATOM 13859 N9 G A 650 122.682 115.922 -48.536 0.00 0.00 N ATOM 13860 C8 G A 650 122.909 114.609 -48.860 0.00 0.00 C ATOM 13861 N7 G A 650 123.908 114.072 -48.208 0.00 0.00 N ATOM 13862 C5 G A 650 124.402 115.109 -47.411 0.00 0.00 C ATOM 13863 C6 G A 650 125.450 115.171 -46.422 0.00 0.00 C ATOM 13864 O6 G A 650 126.181 114.284 -45.999 0.00 0.00 O ATOM 13865 N1 G A 650 125.611 116.431 -45.859 0.00 0.00 N ATOM 13866 C2 G A 650 124.868 117.515 -46.247 0.00 0.00 C ATOM 13867 N2 G A 650 125.127 118.697 -45.751 0.00 0.00 N ATOM 13868 N3 G A 650 123.862 117.482 -47.108 0.00 0.00 N ATOM 13869 C4 G A 650 123.677 116.251 -47.654 0.00 0.00 C ATOM 13870 P C A 651 123.344 118.571 -53.002 0.00 0.00 P ATOM 13871 O1P C A 651 123.094 119.599 -54.033 0.00 0.00 O ATOM 13872 O2P C A 651 123.971 117.286 -53.366 0.00 0.00 O ATOM 13873 O5* C A 651 124.220 119.220 -51.818 0.00 0.00 O ATOM 13874 C5* C A 651 123.941 120.511 -51.309 0.00 0.00 C ATOM 13875 C4* C A 651 125.014 120.934 -50.295 0.00 0.00 C ATOM 13876 O4* C A 651 125.192 120.023 -49.211 0.00 0.00 O ATOM 13877 C3* C A 651 126.372 121.055 -50.962 0.00 0.00 C ATOM 13878 O3* C A 651 126.420 122.236 -51.740 0.00 0.00 O ATOM 13879 C2* C A 651 127.307 120.990 -49.748 0.00 0.00 C ATOM 13880 O2* C A 651 127.432 122.201 -49.030 0.00 0.00 O ATOM 13881 C1* C A 651 126.568 120.039 -48.811 0.00 0.00 C ATOM 13882 N1 C A 651 127.176 118.679 -48.814 0.00 0.00 N ATOM 13883 C2 C A 651 128.225 118.392 -47.923 0.00 0.00 C ATOM 13884 O2 C A 651 128.800 119.266 -47.270 0.00 0.00 O ATOM 13885 N3 C A 651 128.642 117.110 -47.767 0.00 0.00 N ATOM 13886 C4 C A 651 128.122 116.155 -48.535 0.00 0.00 C ATOM 13887 N4 C A 651 128.559 114.939 -48.341 0.00 0.00 N ATOM 13888 C5 C A 651 127.132 116.420 -49.523 0.00 0.00 C ATOM 13889 C6 C A 651 126.682 117.692 -49.632 0.00 0.00 C ATOM 13890 P U A 652 127.673 122.552 -52.670 0.00 0.00 P ATOM 13891 O1P U A 652 127.307 123.554 -53.688 0.00 0.00 O ATOM 13892 O2P U A 652 128.312 121.280 -53.060 0.00 0.00 O ATOM 13893 O5* U A 652 128.624 123.256 -51.598 0.00 0.00 O ATOM 13894 C5* U A 652 129.915 123.649 -51.994 0.00 0.00 C ATOM 13895 C4* U A 652 130.891 123.529 -50.821 0.00 0.00 C ATOM 13896 O4* U A 652 130.670 122.319 -50.091 0.00 0.00 O ATOM 13897 C3* U A 652 132.313 123.487 -51.388 0.00 0.00 C ATOM 13898 O3* U A 652 133.149 124.211 -50.505 0.00 0.00 O ATOM 13899 C2* U A 652 132.527 121.967 -51.443 0.00 0.00 C ATOM 13900 O2* U A 652 133.876 121.553 -51.507 0.00 0.00 O ATOM 13901 C1* U A 652 131.812 121.483 -50.183 0.00 0.00 C ATOM 13902 N1 U A 652 131.414 120.043 -50.249 0.00 0.00 N ATOM 13903 C2 U A 652 132.049 119.102 -49.421 0.00 0.00 C ATOM 13904 O2 U A 652 132.917 119.386 -48.594 0.00 0.00 O ATOM 13905 N3 U A 652 131.662 117.780 -49.576 0.00 0.00 N ATOM 13906 C4 U A 652 130.711 117.304 -50.457 0.00 0.00 C ATOM 13907 O4 U A 652 130.476 116.103 -50.557 0.00 0.00 O ATOM 13908 C5 U A 652 130.063 118.336 -51.230 0.00 0.00 C ATOM 13909 C6 U A 652 130.432 119.638 -51.128 0.00 0.00 C ATOM 13910 P U A 653 134.447 124.993 -51.049 0.00 0.00 P ATOM 13911 O1P U A 653 134.182 126.449 -50.985 0.00 0.00 O ATOM 13912 O2P U A 653 134.907 124.386 -52.314 0.00 0.00 O ATOM 13913 O5* U A 653 135.515 124.697 -49.902 0.00 0.00 O ATOM 13914 C5* U A 653 135.815 123.383 -49.474 0.00 0.00 C ATOM 13915 C4* U A 653 136.532 123.523 -48.135 0.00 0.00 C ATOM 13916 O4* U A 653 135.639 124.146 -47.216 0.00 0.00 O ATOM 13917 C3* U A 653 136.957 122.185 -47.515 0.00 0.00 C ATOM 13918 O3* U A 653 138.216 122.389 -46.900 0.00 0.00 O ATOM 13919 C2* U A 653 135.841 121.908 -46.504 0.00 0.00 C ATOM 13920 O2* U A 653 136.208 121.047 -45.430 0.00 0.00 O ATOM 13921 C1* U A 653 135.520 123.339 -46.064 0.00 0.00 C ATOM 13922 N1 U A 653 134.178 123.533 -45.439 0.00 0.00 N ATOM 13923 C2 U A 653 133.005 123.120 -46.101 0.00 0.00 C ATOM 13924 O2 U A 653 132.976 122.581 -47.202 0.00 0.00 O ATOM 13925 N3 U A 653 131.803 123.327 -45.449 0.00 0.00 N ATOM 13926 C4 U A 653 131.654 123.939 -44.224 0.00 0.00 C ATOM 13927 O4 U A 653 130.535 124.086 -43.754 0.00 0.00 O ATOM 13928 C5 U A 653 132.895 124.361 -43.611 0.00 0.00 C ATOM 13929 C6 U A 653 134.095 124.149 -44.209 0.00 0.00 C ATOM 13930 P G A 654 139.557 122.107 -47.734 0.00 0.00 P ATOM 13931 O1P G A 654 140.639 122.928 -47.155 0.00 0.00 O ATOM 13932 O2P G A 654 139.224 122.204 -49.173 0.00 0.00 O ATOM 13933 O5* G A 654 139.786 120.565 -47.348 0.00 0.00 O ATOM 13934 C5* G A 654 140.363 120.225 -46.099 0.00 0.00 C ATOM 13935 C4* G A 654 140.308 118.721 -45.828 0.00 0.00 C ATOM 13936 O4* G A 654 138.960 118.308 -45.644 0.00 0.00 O ATOM 13937 C3* G A 654 140.901 117.872 -46.949 0.00 0.00 C ATOM 13938 O3* G A 654 142.310 117.745 -46.870 0.00 0.00 O ATOM 13939 C2* G A 654 140.157 116.554 -46.717 0.00 0.00 C ATOM 13940 O2* G A 654 140.663 115.766 -45.644 0.00 0.00 O ATOM 13941 C1* G A 654 138.777 117.068 -46.302 0.00 0.00 C ATOM 13942 N9 G A 654 137.879 117.199 -47.471 0.00 0.00 N ATOM 13943 C8 G A 654 137.382 118.301 -48.122 0.00 0.00 C ATOM 13944 N7 G A 654 136.525 118.018 -49.074 0.00 0.00 N ATOM 13945 C5 G A 654 136.476 116.620 -49.073 0.00 0.00 C ATOM 13946 C6 G A 654 135.760 115.674 -49.890 0.00 0.00 C ATOM 13947 O6 G A 654 134.983 115.878 -50.828 0.00 0.00 O ATOM 13948 N1 G A 654 136.038 114.356 -49.547 0.00 0.00 N ATOM 13949 C2 G A 654 136.894 113.986 -48.544 0.00 0.00 C ATOM 13950 N2 G A 654 137.111 112.714 -48.327 0.00 0.00 N ATOM 13951 N3 G A 654 137.556 114.832 -47.773 0.00 0.00 N ATOM 13952 C4 G A 654 137.310 116.129 -48.094 0.00 0.00 C ATOM 13953 P A A 655 143.201 117.633 -48.204 0.00 0.00 P ATOM 13954 O1P A A 655 144.618 117.474 -47.818 0.00 0.00 O ATOM 13955 O2P A A 655 142.792 118.721 -49.114 0.00 0.00 O ATOM 13956 O5* A A 655 142.670 116.261 -48.838 0.00 0.00 O ATOM 13957 C5* A A 655 142.999 114.990 -48.324 0.00 0.00 C ATOM 13958 C4* A A 655 142.230 113.927 -49.119 0.00 0.00 C ATOM 13959 O4* A A 655 140.815 114.056 -48.979 0.00 0.00 O ATOM 13960 C3* A A 655 142.531 114.009 -50.611 0.00 0.00 C ATOM 13961 O3* A A 655 143.780 113.409 -50.906 0.00 0.00 O ATOM 13962 C2* A A 655 141.289 113.321 -51.186 0.00 0.00 C ATOM 13963 O2* A A 655 141.285 111.908 -51.052 0.00 0.00 O ATOM 13964 C1* A A 655 140.204 113.857 -50.251 0.00 0.00 C ATOM 13965 N9 A A 655 139.627 115.121 -50.771 0.00 0.00 N ATOM 13966 C8 A A 655 139.904 116.422 -50.416 0.00 0.00 C ATOM 13967 N7 A A 655 139.185 117.309 -51.041 0.00 0.00 N ATOM 13968 C5 A A 655 138.387 116.542 -51.886 0.00 0.00 C ATOM 13969 C6 A A 655 137.400 116.853 -52.842 0.00 0.00 C ATOM 13970 N6 A A 655 137.055 118.095 -53.125 0.00 0.00 N ATOM 13971 N1 A A 655 136.800 115.887 -53.553 0.00 0.00 N ATOM 13972 C2 A A 655 137.162 114.631 -53.302 0.00 0.00 C ATOM 13973 N3 A A 655 138.063 114.188 -52.426 0.00 0.00 N ATOM 13974 C4 A A 655 138.652 115.209 -51.741 0.00 0.00 C ATOM 13975 P G A 656 144.680 113.922 -52.127 0.00 0.00 P ATOM 13976 O1P G A 656 145.959 113.178 -52.128 0.00 0.00 O ATOM 13977 O2P G A 656 144.662 115.397 -52.157 0.00 0.00 O ATOM 13978 O5* G A 656 143.806 113.407 -53.344 0.00 0.00 O ATOM 13979 C5* G A 656 143.723 112.030 -53.593 0.00 0.00 C ATOM 13980 C4* G A 656 142.679 111.803 -54.653 0.00 0.00 C ATOM 13981 O4* G A 656 141.373 112.211 -54.222 0.00 0.00 O ATOM 13982 C3* G A 656 142.954 112.532 -55.977 0.00 0.00 C ATOM 13983 O3* G A 656 143.970 111.963 -56.798 0.00 0.00 O ATOM 13984 C2* G A 656 141.558 112.319 -56.541 0.00 0.00 C ATOM 13985 O2* G A 656 141.408 110.924 -56.775 0.00 0.00 O ATOM 13986 C1* G A 656 140.669 112.706 -55.355 0.00 0.00 C ATOM 13987 N9 G A 656 140.426 114.176 -55.249 0.00 0.00 N ATOM 13988 C8 G A 656 141.081 115.136 -54.514 0.00 0.00 C ATOM 13989 N7 G A 656 140.594 116.342 -54.646 0.00 0.00 N ATOM 13990 C5 G A 656 139.549 116.193 -55.560 0.00 0.00 C ATOM 13991 C6 G A 656 138.661 117.149 -56.181 0.00 0.00 C ATOM 13992 O6 G A 656 138.578 118.372 -56.055 0.00 0.00 O ATOM 13993 N1 G A 656 137.806 116.568 -57.098 0.00 0.00 N ATOM 13994 C2 G A 656 137.760 115.227 -57.355 0.00 0.00 C ATOM 13995 N2 G A 656 136.946 114.807 -58.291 0.00 0.00 N ATOM 13996 N3 G A 656 138.539 114.313 -56.783 0.00 0.00 N ATOM 13997 C4 G A 656 139.433 114.861 -55.910 0.00 0.00 C ATOM 13998 P U A 657 144.626 112.800 -58.011 0.00 0.00 P ATOM 13999 O1P U A 657 145.618 111.942 -58.697 0.00 0.00 O ATOM 14000 O2P U A 657 145.049 114.112 -57.487 0.00 0.00 O ATOM 14001 O5* U A 657 143.412 113.082 -59.028 0.00 0.00 O ATOM 14002 C5* U A 657 142.858 112.066 -59.840 0.00 0.00 C ATOM 14003 C4* U A 657 141.721 112.631 -60.690 0.00 0.00 C ATOM 14004 O4* U A 657 140.689 113.222 -59.892 0.00 0.00 O ATOM 14005 C3* U A 657 142.130 113.699 -61.707 0.00 0.00 C ATOM 14006 O3* U A 657 142.802 113.168 -62.841 0.00 0.00 O ATOM 14007 C2* U A 657 140.722 114.236 -61.999 0.00 0.00 C ATOM 14008 O2* U A 657 139.936 113.284 -62.705 0.00 0.00 O ATOM 14009 C1* U A 657 140.139 114.341 -60.586 0.00 0.00 C ATOM 14010 N1 U A 657 140.456 115.644 -59.920 0.00 0.00 N ATOM 14011 C2 U A 657 139.807 116.791 -60.392 0.00 0.00 C ATOM 14012 O2 U A 657 139.000 116.778 -61.317 0.00 0.00 O ATOM 14013 N3 U A 657 140.120 117.986 -59.779 0.00 0.00 N ATOM 14014 C4 U A 657 141.021 118.169 -58.759 0.00 0.00 C ATOM 14015 O4 U A 657 141.288 119.309 -58.386 0.00 0.00 O ATOM 14016 C5 U A 657 141.600 116.935 -58.266 0.00 0.00 C ATOM 14017 C6 U A 657 141.322 115.736 -58.847 0.00 0.00 C ATOM 14018 P C A 658 143.710 114.082 -63.813 0.00 0.00 P ATOM 14019 O1P C A 658 144.197 113.237 -64.915 0.00 0.00 O ATOM 14020 O2P C A 658 144.731 114.797 -62.990 0.00 0.00 O ATOM 14021 O5* C A 658 142.650 115.139 -64.424 0.00 0.00 O ATOM 14022 C5* C A 658 141.620 114.768 -65.346 0.00 0.00 C ATOM 14023 C4* C A 658 140.867 116.010 -65.847 0.00 0.00 C ATOM 14024 O4* C A 658 140.256 116.735 -64.786 0.00 0.00 O ATOM 14025 C3* C A 658 141.805 116.967 -66.566 0.00 0.00 C ATOM 14026 O3* C A 658 141.996 116.582 -67.915 0.00 0.00 O ATOM 14027 C2* C A 658 141.086 118.302 -66.371 0.00 0.00 C ATOM 14028 O2* C A 658 140.003 118.522 -67.263 0.00 0.00 O ATOM 14029 C1* C A 658 140.488 118.128 -64.969 0.00 0.00 C ATOM 14030 N1 C A 658 141.359 118.673 -63.888 0.00 0.00 N ATOM 14031 C2 C A 658 141.475 120.064 -63.777 0.00 0.00 C ATOM 14032 O2 C A 658 140.933 120.810 -64.592 0.00 0.00 O ATOM 14033 N3 C A 658 142.196 120.589 -62.757 0.00 0.00 N ATOM 14034 C4 C A 658 142.720 119.794 -61.843 0.00 0.00 C ATOM 14035 N4 C A 658 143.421 120.410 -60.927 0.00 0.00 N ATOM 14036 C5 C A 658 142.652 118.375 -61.912 0.00 0.00 C ATOM 14037 C6 C A 658 141.963 117.856 -62.957 0.00 0.00 C ATOM 14038 P U A 659 143.348 116.945 -68.690 0.00 0.00 P ATOM 14039 O1P U A 659 143.248 116.424 -70.071 0.00 0.00 O ATOM 14040 O2P U A 659 144.493 116.576 -67.829 0.00 0.00 O ATOM 14041 O5* U A 659 143.280 118.543 -68.729 0.00 0.00 O ATOM 14042 C5* U A 659 142.458 119.244 -69.640 0.00 0.00 C ATOM 14043 C4* U A 659 142.683 120.744 -69.444 0.00 0.00 C ATOM 14044 O4* U A 659 142.270 121.160 -68.143 0.00 0.00 O ATOM 14045 C3* U A 659 144.155 121.132 -69.564 0.00 0.00 C ATOM 14046 O3* U A 659 144.617 121.187 -70.903 0.00 0.00 O ATOM 14047 C2* U A 659 144.120 122.477 -68.835 0.00 0.00 C ATOM 14048 O2* U A 659 143.576 123.536 -69.611 0.00 0.00 O ATOM 14049 C1* U A 659 143.131 122.207 -67.702 0.00 0.00 C ATOM 14050 N1 U A 659 143.834 121.879 -66.428 0.00 0.00 N ATOM 14051 C2 U A 659 144.147 122.939 -65.568 0.00 0.00 C ATOM 14052 O2 U A 659 143.955 124.118 -65.851 0.00 0.00 O ATOM 14053 N3 U A 659 144.720 122.611 -64.357 0.00 0.00 N ATOM 14054 C4 U A 659 145.033 121.346 -63.924 0.00 0.00 C ATOM 14055 O4 U A 659 145.524 121.188 -62.810 0.00 0.00 O ATOM 14056 C5 U A 659 144.753 120.303 -64.893 0.00 0.00 C ATOM 14057 C6 U A 659 144.179 120.586 -66.093 0.00 0.00 C ATOM 14058 P C A 660 146.185 121.059 -71.240 0.00 0.00 P ATOM 14059 O1P C A 660 146.377 121.224 -72.695 0.00 0.00 O ATOM 14060 O2P C A 660 146.731 119.874 -70.545 0.00 0.00 O ATOM 14061 O5* C A 660 146.785 122.353 -70.510 0.00 0.00 O ATOM 14062 C5* C A 660 146.563 123.652 -71.018 0.00 0.00 C ATOM 14063 C4* C A 660 147.085 124.702 -70.029 0.00 0.00 C ATOM 14064 O4* C A 660 146.491 124.626 -68.730 0.00 0.00 O ATOM 14065 C3* C A 660 148.582 124.565 -69.794 0.00 0.00 C ATOM 14066 O3* C A 660 149.337 124.967 -70.923 0.00 0.00 O ATOM 14067 C2* C A 660 148.707 125.412 -68.517 0.00 0.00 C ATOM 14068 O2* C A 660 148.525 126.809 -68.710 0.00 0.00 O ATOM 14069 C1* C A 660 147.476 124.946 -67.739 0.00 0.00 C ATOM 14070 N1 C A 660 147.785 123.796 -66.828 0.00 0.00 N ATOM 14071 C2 C A 660 148.344 124.044 -65.559 0.00 0.00 C ATOM 14072 O2 C A 660 148.693 125.175 -65.209 0.00 0.00 O ATOM 14073 N3 C A 660 148.519 123.016 -64.683 0.00 0.00 N ATOM 14074 C4 C A 660 148.168 121.786 -65.042 0.00 0.00 C ATOM 14075 N4 C A 660 148.294 120.818 -64.165 0.00 0.00 N ATOM 14076 C5 C A 660 147.644 121.478 -66.327 0.00 0.00 C ATOM 14077 C6 C A 660 147.488 122.504 -67.195 0.00 0.00 C ATOM 14078 P G A 661 150.910 124.670 -71.023 0.00 0.00 P ATOM 14079 O1P G A 661 151.404 125.098 -72.345 0.00 0.00 O ATOM 14080 O2P G A 661 151.209 123.283 -70.543 0.00 0.00 O ATOM 14081 O5* G A 661 151.417 125.732 -69.938 0.00 0.00 O ATOM 14082 C5* G A 661 152.698 125.616 -69.384 0.00 0.00 C ATOM 14083 C4* G A 661 152.896 126.609 -68.246 0.00 0.00 C ATOM 14084 O4* G A 661 151.895 126.530 -67.230 0.00 0.00 O ATOM 14085 C3* G A 661 154.217 126.253 -67.581 0.00 0.00 C ATOM 14086 O3* G A 661 155.326 126.747 -68.312 0.00 0.00 O ATOM 14087 C2* G A 661 153.983 126.831 -66.188 0.00 0.00 C ATOM 14088 O2* G A 661 153.978 128.252 -66.193 0.00 0.00 O ATOM 14089 C1* G A 661 152.535 126.376 -65.968 0.00 0.00 C ATOM 14090 N9 G A 661 152.402 124.953 -65.559 0.00 0.00 N ATOM 14091 C8 G A 661 151.849 123.909 -66.261 0.00 0.00 C ATOM 14092 N7 G A 661 151.825 122.776 -65.617 0.00 0.00 N ATOM 14093 C5 G A 661 152.381 123.089 -64.373 0.00 0.00 C ATOM 14094 C6 G A 661 152.599 122.287 -63.198 0.00 0.00 C ATOM 14095 O6 G A 661 152.319 121.107 -62.985 0.00 0.00 O ATOM 14096 N1 G A 661 153.224 122.985 -62.178 0.00 0.00 N ATOM 14097 C2 G A 661 153.561 124.309 -62.252 0.00 0.00 C ATOM 14098 N2 G A 661 154.142 124.853 -61.211 0.00 0.00 N ATOM 14099 N3 G A 661 153.341 125.087 -63.309 0.00 0.00 N ATOM 14100 C4 G A 661 152.754 124.418 -64.343 0.00 0.00 C ATOM 14101 P U A 662 156.529 125.767 -68.697 0.00 0.00 P ATOM 14102 O1P U A 662 157.570 126.478 -69.460 0.00 0.00 O ATOM 14103 O2P U A 662 155.975 124.511 -69.260 0.00 0.00 O ATOM 14104 O5* U A 662 157.095 125.404 -67.248 0.00 0.00 O ATOM 14105 C5* U A 662 157.517 126.426 -66.362 0.00 0.00 C ATOM 14106 C4* U A 662 157.848 125.839 -64.992 0.00 0.00 C ATOM 14107 O4* U A 662 156.741 125.194 -64.374 0.00 0.00 O ATOM 14108 C3* U A 662 158.953 124.794 -65.064 0.00 0.00 C ATOM 14109 O3* U A 662 160.174 125.466 -65.325 0.00 0.00 O ATOM 14110 C2* U A 662 158.757 124.164 -63.676 0.00 0.00 C ATOM 14111 O2* U A 662 159.278 124.945 -62.625 0.00 0.00 O ATOM 14112 C1* U A 662 157.250 124.249 -63.435 0.00 0.00 C ATOM 14113 N1 U A 662 156.605 122.912 -63.545 0.00 0.00 N ATOM 14114 C2 U A 662 156.622 122.055 -62.432 0.00 0.00 C ATOM 14115 O2 U A 662 157.169 122.340 -61.370 0.00 0.00 O ATOM 14116 N3 U A 662 155.993 120.826 -62.577 0.00 0.00 N ATOM 14117 C4 U A 662 155.395 120.369 -63.739 0.00 0.00 C ATOM 14118 O4 U A 662 154.920 119.244 -63.810 0.00 0.00 O ATOM 14119 C5 U A 662 155.421 121.310 -64.837 0.00 0.00 C ATOM 14120 C6 U A 662 156.010 122.525 -64.721 0.00 0.00 C ATOM 14121 P A A 663 161.529 124.754 -65.795 0.00 0.00 P ATOM 14122 O1P A A 663 162.450 125.820 -66.269 0.00 0.00 O ATOM 14123 O2P A A 663 161.251 123.528 -66.591 0.00 0.00 O ATOM 14124 O5* A A 663 162.088 124.210 -64.424 0.00 0.00 O ATOM 14125 C5* A A 663 162.687 125.054 -63.478 0.00 0.00 C ATOM 14126 C4* A A 663 162.869 124.295 -62.174 0.00 0.00 C ATOM 14127 O4* A A 663 161.628 123.870 -61.633 0.00 0.00 O ATOM 14128 C3* A A 663 163.672 123.019 -62.372 0.00 0.00 C ATOM 14129 O3* A A 663 165.035 123.241 -62.604 0.00 0.00 O ATOM 14130 C2* A A 663 163.328 122.291 -61.080 0.00 0.00 C ATOM 14131 O2* A A 663 163.933 122.851 -59.921 0.00 0.00 O ATOM 14132 C1* A A 663 161.830 122.585 -61.063 0.00 0.00 C ATOM 14133 N9 A A 663 161.131 121.580 -61.884 0.00 0.00 N ATOM 14134 C8 A A 663 160.838 121.566 -63.226 0.00 0.00 C ATOM 14135 N7 A A 663 160.143 120.542 -63.631 0.00 0.00 N ATOM 14136 C5 A A 663 159.978 119.821 -62.442 0.00 0.00 C ATOM 14137 C6 A A 663 159.284 118.652 -62.090 0.00 0.00 C ATOM 14138 N6 A A 663 158.495 118.008 -62.930 0.00 0.00 N ATOM 14139 N1 A A 663 159.363 118.172 -60.841 0.00 0.00 N ATOM 14140 C2 A A 663 160.077 118.849 -59.945 0.00 0.00 C ATOM 14141 N3 A A 663 160.731 119.982 -60.116 0.00 0.00 N ATOM 14142 C4 A A 663 160.631 120.415 -61.397 0.00 0.00 C ATOM 14143 P G A 664 165.877 122.168 -63.422 0.00 0.00 P ATOM 14144 O1P G A 664 167.235 122.729 -63.511 0.00 0.00 O ATOM 14145 O2P G A 664 165.103 121.757 -64.624 0.00 0.00 O ATOM 14146 O5* G A 664 165.901 120.957 -62.386 0.00 0.00 O ATOM 14147 C5* G A 664 166.565 121.087 -61.147 0.00 0.00 C ATOM 14148 C4* G A 664 166.356 119.859 -60.288 0.00 0.00 C ATOM 14149 O4* G A 664 164.976 119.635 -60.000 0.00 0.00 O ATOM 14150 C3* G A 664 166.914 118.591 -60.919 0.00 0.00 C ATOM 14151 O3* G A 664 168.332 118.549 -60.820 0.00 0.00 O ATOM 14152 C2* G A 664 166.145 117.609 -60.035 0.00 0.00 C ATOM 14153 O2* G A 664 166.579 117.634 -58.678 0.00 0.00 O ATOM 14154 C1* G A 664 164.751 118.231 -59.992 0.00 0.00 C ATOM 14155 N9 G A 664 163.876 117.835 -61.123 0.00 0.00 N ATOM 14156 C8 G A 664 163.691 118.445 -62.341 0.00 0.00 C ATOM 14157 N7 G A 664 162.773 117.895 -63.090 0.00 0.00 N ATOM 14158 C5 G A 664 162.318 116.824 -62.317 0.00 0.00 C ATOM 14159 C6 G A 664 161.330 115.814 -62.589 0.00 0.00 C ATOM 14160 O6 G A 664 160.663 115.610 -63.609 0.00 0.00 O ATOM 14161 N1 G A 664 161.141 114.958 -61.521 0.00 0.00 N ATOM 14162 C2 G A 664 161.859 114.991 -60.363 0.00 0.00 C ATOM 14163 N2 G A 664 161.539 114.115 -59.430 0.00 0.00 N ATOM 14164 N3 G A 664 162.799 115.892 -60.090 0.00 0.00 N ATOM 14165 C4 G A 664 162.985 116.787 -61.108 0.00 0.00 C ATOM 14166 P A A 665 169.254 117.947 -61.999 0.00 0.00 P ATOM 14167 O1P A A 665 170.175 118.999 -62.478 0.00 0.00 O ATOM 14168 O2P A A 665 168.396 117.216 -62.960 0.00 0.00 O ATOM 14169 O5* A A 665 170.124 116.861 -61.189 0.00 0.00 O ATOM 14170 C5* A A 665 170.748 115.787 -61.863 0.00 0.00 C ATOM 14171 C4* A A 665 170.976 114.592 -60.940 0.00 0.00 C ATOM 14172 O4* A A 665 172.145 114.662 -60.133 0.00 0.00 O ATOM 14173 C3* A A 665 169.836 114.337 -59.949 0.00 0.00 C ATOM 14174 O3* A A 665 168.629 113.939 -60.590 0.00 0.00 O ATOM 14175 C2* A A 665 170.522 113.229 -59.157 0.00 0.00 C ATOM 14176 O2* A A 665 170.465 112.074 -59.979 0.00 0.00 O ATOM 14177 C1* A A 665 171.986 113.708 -59.080 0.00 0.00 C ATOM 14178 N9 A A 665 172.408 114.331 -57.794 0.00 0.00 N ATOM 14179 C8 A A 665 172.304 115.635 -57.392 0.00 0.00 C ATOM 14180 N7 A A 665 172.831 115.885 -56.219 0.00 0.00 N ATOM 14181 C5 A A 665 173.348 114.646 -55.807 0.00 0.00 C ATOM 14182 C6 A A 665 174.052 114.126 -54.675 0.00 0.00 C ATOM 14183 N6 A A 665 174.433 114.771 -53.591 0.00 0.00 N ATOM 14184 N1 A A 665 174.443 112.849 -54.630 0.00 0.00 N ATOM 14185 C2 A A 665 174.184 112.096 -55.680 0.00 0.00 C ATOM 14186 N3 A A 665 173.564 112.446 -56.796 0.00 0.00 N ATOM 14187 C4 A A 665 173.132 113.723 -56.794 0.00 0.00 C ATOM 14188 P G A 666 167.209 113.967 -59.845 0.00 0.00 P ATOM 14189 O1P G A 666 166.209 114.215 -60.906 0.00 0.00 O ATOM 14190 O2P G A 666 167.305 114.846 -58.640 0.00 0.00 O ATOM 14191 O5* G A 666 166.868 112.461 -59.397 0.00 0.00 O ATOM 14192 C5* G A 666 167.115 111.936 -58.105 0.00 0.00 C ATOM 14193 C4* G A 666 166.049 110.865 -57.810 0.00 0.00 C ATOM 14194 O4* G A 666 164.706 111.312 -58.037 0.00 0.00 O ATOM 14195 C3* G A 666 166.241 109.662 -58.718 0.00 0.00 C ATOM 14196 O3* G A 666 167.334 108.852 -58.332 0.00 0.00 O ATOM 14197 C2* G A 666 164.867 109.003 -58.648 0.00 0.00 C ATOM 14198 O2* G A 666 164.567 108.280 -57.467 0.00 0.00 O ATOM 14199 C1* G A 666 163.976 110.254 -58.667 0.00 0.00 C ATOM 14200 N9 G A 666 163.622 110.582 -60.070 0.00 0.00 N ATOM 14201 C8 G A 666 163.927 111.687 -60.825 0.00 0.00 C ATOM 14202 N7 G A 666 163.559 111.598 -62.077 0.00 0.00 N ATOM 14203 C5 G A 666 162.889 110.369 -62.139 0.00 0.00 C ATOM 14204 C6 G A 666 162.194 109.710 -63.212 0.00 0.00 C ATOM 14205 O6 G A 666 162.032 110.107 -64.368 0.00 0.00 O ATOM 14206 N1 G A 666 161.659 108.477 -62.841 0.00 0.00 N ATOM 14207 C2 G A 666 161.785 107.935 -61.587 0.00 0.00 C ATOM 14208 N2 G A 666 161.278 106.751 -61.310 0.00 0.00 N ATOM 14209 N3 G A 666 162.405 108.536 -60.577 0.00 0.00 N ATOM 14210 C4 G A 666 162.931 109.748 -60.912 0.00 0.00 C ATOM 14211 P G A 667 168.237 108.127 -59.441 0.00 0.00 P ATOM 14212 O1P G A 667 169.438 107.590 -58.774 0.00 0.00 O ATOM 14213 O2P G A 667 168.394 109.041 -60.594 0.00 0.00 O ATOM 14214 O5* G A 667 167.287 106.924 -59.919 0.00 0.00 O ATOM 14215 C5* G A 667 166.879 105.892 -59.044 0.00 0.00 C ATOM 14216 C4* G A 667 165.934 104.940 -59.772 0.00 0.00 C ATOM 14217 O4* G A 667 164.709 105.574 -60.158 0.00 0.00 O ATOM 14218 C3* G A 667 166.535 104.284 -61.016 0.00 0.00 C ATOM 14219 O3* G A 667 167.401 103.214 -60.675 0.00 0.00 O ATOM 14220 C2* G A 667 165.221 103.839 -61.652 0.00 0.00 C ATOM 14221 O2* G A 667 164.639 102.767 -60.919 0.00 0.00 O ATOM 14222 C1* G A 667 164.351 105.086 -61.447 0.00 0.00 C ATOM 14223 N9 G A 667 164.562 106.134 -62.485 0.00 0.00 N ATOM 14224 C8 G A 667 165.180 107.358 -62.396 0.00 0.00 C ATOM 14225 N7 G A 667 165.129 108.076 -63.490 0.00 0.00 N ATOM 14226 C5 G A 667 164.433 107.262 -64.393 0.00 0.00 C ATOM 14227 C6 G A 667 164.039 107.453 -65.771 0.00 0.00 C ATOM 14228 O6 G A 667 164.192 108.421 -66.522 0.00 0.00 O ATOM 14229 N1 G A 667 163.370 106.361 -66.295 0.00 0.00 N ATOM 14230 C2 G A 667 163.020 105.266 -65.561 0.00 0.00 C ATOM 14231 N2 G A 667 162.316 104.335 -66.147 0.00 0.00 N ATOM 14232 N3 G A 667 163.326 105.073 -64.284 0.00 0.00 N ATOM 14233 C4 G A 667 164.060 106.091 -63.762 0.00 0.00 C ATOM 14234 P G A 668 168.389 102.526 -61.738 0.00 0.00 P ATOM 14235 O1P G A 668 169.097 101.407 -61.099 0.00 0.00 O ATOM 14236 O2P G A 668 169.190 103.528 -62.471 0.00 0.00 O ATOM 14237 O5* G A 668 167.509 101.895 -62.905 0.00 0.00 O ATOM 14238 C5* G A 668 166.775 100.700 -62.737 0.00 0.00 C ATOM 14239 C4* G A 668 166.021 100.426 -64.036 0.00 0.00 C ATOM 14240 O4* G A 668 165.139 101.505 -64.321 0.00 0.00 O ATOM 14241 C3* G A 668 166.937 100.305 -65.254 0.00 0.00 C ATOM 14242 O3* G A 668 167.588 99.048 -65.382 0.00 0.00 O ATOM 14243 C2* G A 668 165.923 100.578 -66.353 0.00 0.00 C ATOM 14244 O2* G A 668 165.072 99.464 -66.561 0.00 0.00 O ATOM 14245 C1* G A 668 165.115 101.717 -65.724 0.00 0.00 C ATOM 14246 N9 G A 668 165.685 103.040 -66.083 0.00 0.00 N ATOM 14247 C8 G A 668 166.402 103.946 -65.340 0.00 0.00 C ATOM 14248 N7 G A 668 166.701 105.047 -65.979 0.00 0.00 N ATOM 14249 C5 G A 668 166.157 104.860 -67.257 0.00 0.00 C ATOM 14250 C6 G A 668 166.116 105.697 -68.436 0.00 0.00 C ATOM 14251 O6 G A 668 166.526 106.846 -68.615 0.00 0.00 O ATOM 14252 N1 G A 668 165.494 105.075 -69.509 0.00 0.00 N ATOM 14253 C2 G A 668 164.899 103.844 -69.436 0.00 0.00 C ATOM 14254 N2 G A 668 164.260 103.365 -70.477 0.00 0.00 N ATOM 14255 N3 G A 668 164.873 103.070 -68.361 0.00 0.00 N ATOM 14256 C4 G A 668 165.537 103.628 -67.311 0.00 0.00 C ATOM 14257 P G A 669 169.014 98.952 -66.109 0.00 0.00 P ATOM 14258 O1P G A 669 169.528 97.563 -65.961 0.00 0.00 O ATOM 14259 O2P G A 669 169.803 100.122 -65.622 0.00 0.00 O ATOM 14260 O5* G A 669 168.606 99.186 -67.655 0.00 0.00 O ATOM 14261 C5* G A 669 167.962 98.173 -68.424 0.00 0.00 C ATOM 14262 C4* G A 669 167.789 98.595 -69.888 0.00 0.00 C ATOM 14263 O4* G A 669 166.949 99.744 -69.988 0.00 0.00 O ATOM 14264 C3* G A 669 169.114 98.927 -70.581 0.00 0.00 C ATOM 14265 O3* G A 669 169.856 97.786 -71.010 0.00 0.00 O ATOM 14266 C2* G A 669 168.587 99.803 -71.720 0.00 0.00 C ATOM 14267 O2* G A 669 168.002 99.071 -72.785 0.00 0.00 O ATOM 14268 C1* G A 669 167.450 100.561 -71.037 0.00 0.00 C ATOM 14269 N9 G A 669 167.923 101.865 -70.527 0.00 0.00 N ATOM 14270 C8 G A 669 168.415 102.220 -69.297 0.00 0.00 C ATOM 14271 N7 G A 669 168.772 103.475 -69.209 0.00 0.00 N ATOM 14272 C5 G A 669 168.491 103.997 -70.479 0.00 0.00 C ATOM 14273 C6 G A 669 168.653 105.314 -71.044 0.00 0.00 C ATOM 14274 O6 G A 669 169.100 106.341 -70.530 0.00 0.00 O ATOM 14275 N1 G A 669 168.248 105.383 -72.370 0.00 0.00 N ATOM 14276 C2 G A 669 167.755 104.321 -73.079 0.00 0.00 C ATOM 14277 N2 G A 669 167.460 104.492 -74.345 0.00 0.00 N ATOM 14278 N3 G A 669 167.594 103.097 -72.586 0.00 0.00 N ATOM 14279 C4 G A 669 167.975 103.004 -71.282 0.00 0.00 C ATOM 14280 P G A 670 171.427 97.892 -71.342 0.00 0.00 P ATOM 14281 O1P G A 670 171.881 96.530 -71.717 0.00 0.00 O ATOM 14282 O2P G A 670 172.086 98.596 -70.226 0.00 0.00 O ATOM 14283 O5* G A 670 171.502 98.819 -72.649 0.00 0.00 O ATOM 14284 C5* G A 670 171.120 98.333 -73.926 0.00 0.00 C ATOM 14285 C4* G A 670 171.058 99.482 -74.934 0.00 0.00 C ATOM 14286 O4* G A 670 170.138 100.483 -74.505 0.00 0.00 O ATOM 14287 C3* G A 670 172.399 100.178 -75.148 0.00 0.00 C ATOM 14288 O3* G A 670 173.274 99.452 -75.993 0.00 0.00 O ATOM 14289 C2* G A 670 171.899 101.493 -75.744 0.00 0.00 C ATOM 14290 O2* G A 670 171.492 101.370 -77.100 0.00 0.00 O ATOM 14291 C1* G A 670 170.650 101.751 -74.900 0.00 0.00 C ATOM 14292 N9 G A 670 171.004 102.594 -73.737 0.00 0.00 N ATOM 14293 C8 G A 670 171.342 102.241 -72.456 0.00 0.00 C ATOM 14294 N7 G A 670 171.682 103.249 -71.697 0.00 0.00 N ATOM 14295 C5 G A 670 171.587 104.359 -72.545 0.00 0.00 C ATOM 14296 C6 G A 670 171.885 105.753 -72.334 0.00 0.00 C ATOM 14297 O6 G A 670 172.287 106.310 -71.309 0.00 0.00 O ATOM 14298 N1 G A 670 171.708 106.514 -73.478 0.00 0.00 N ATOM 14299 C2 G A 670 171.265 106.010 -74.668 0.00 0.00 C ATOM 14300 N2 G A 670 171.172 106.838 -75.674 0.00 0.00 N ATOM 14301 N3 G A 670 170.980 104.730 -74.891 0.00 0.00 N ATOM 14302 C4 G A 670 171.166 103.953 -73.791 0.00 0.00 C ATOM 14303 P G A 671 174.854 99.707 -75.964 0.00 0.00 P ATOM 14304 O1P G A 671 175.444 98.782 -76.949 0.00 0.00 O ATOM 14305 O2P G A 671 175.254 99.534 -74.549 0.00 0.00 O ATOM 14306 O5* G A 671 175.071 101.242 -76.406 0.00 0.00 O ATOM 14307 C5* G A 671 174.897 101.639 -77.758 0.00 0.00 C ATOM 14308 C4* G A 671 174.757 103.160 -77.934 0.00 0.00 C ATOM 14309 O4* G A 671 173.858 103.713 -76.983 0.00 0.00 O ATOM 14310 C3* G A 671 176.057 103.951 -77.838 0.00 0.00 C ATOM 14311 O3* G A 671 176.780 103.914 -79.060 0.00 0.00 O ATOM 14312 C2* G A 671 175.502 105.342 -77.506 0.00 0.00 C ATOM 14313 O2* G A 671 175.008 106.044 -78.643 0.00 0.00 O ATOM 14314 C1* G A 671 174.314 105.000 -76.603 0.00 0.00 C ATOM 14315 N9 G A 671 174.692 105.065 -75.169 0.00 0.00 N ATOM 14316 C8 G A 671 174.804 104.085 -74.215 0.00 0.00 C ATOM 14317 N7 G A 671 175.075 104.534 -73.012 0.00 0.00 N ATOM 14318 C5 G A 671 175.183 105.921 -73.185 0.00 0.00 C ATOM 14319 C6 G A 671 175.466 107.005 -72.272 0.00 0.00 C ATOM 14320 O6 G A 671 175.653 106.988 -71.054 0.00 0.00 O ATOM 14321 N1 G A 671 175.528 108.242 -72.901 0.00 0.00 N ATOM 14322 C2 G A 671 175.276 108.426 -74.232 0.00 0.00 C ATOM 14323 N2 G A 671 175.369 109.622 -74.753 0.00 0.00 N ATOM 14324 N3 G A 671 174.976 107.461 -75.087 0.00 0.00 N ATOM 14325 C4 G A 671 174.956 106.233 -74.508 0.00 0.00 C ATOM 14326 P U A 672 178.380 104.003 -79.090 0.00 0.00 P ATOM 14327 O1P U A 672 178.820 103.907 -80.499 0.00 0.00 O ATOM 14328 O2P U A 672 178.891 103.060 -78.076 0.00 0.00 O ATOM 14329 O5* U A 672 178.686 105.489 -78.569 0.00 0.00 O ATOM 14330 C5* U A 672 178.448 106.629 -79.370 0.00 0.00 C ATOM 14331 C4* U A 672 178.515 107.887 -78.498 0.00 0.00 C ATOM 14332 O4* U A 672 177.662 107.752 -77.369 0.00 0.00 O ATOM 14333 C3* U A 672 179.915 108.180 -77.978 0.00 0.00 C ATOM 14334 O3* U A 672 180.660 108.903 -78.946 0.00 0.00 O ATOM 14335 C2* U A 672 179.593 108.958 -76.699 0.00 0.00 C ATOM 14336 O2* U A 672 179.265 110.325 -76.926 0.00 0.00 O ATOM 14337 C1* U A 672 178.306 108.278 -76.222 0.00 0.00 C ATOM 14338 N1 U A 672 178.541 107.280 -75.131 0.00 0.00 N ATOM 14339 C2 U A 672 178.753 107.811 -73.860 0.00 0.00 C ATOM 14340 O2 U A 672 178.827 109.024 -73.674 0.00 0.00 O ATOM 14341 N3 U A 672 178.868 106.923 -72.801 0.00 0.00 N ATOM 14342 C4 U A 672 178.858 105.548 -72.906 0.00 0.00 C ATOM 14343 O4 U A 672 179.053 104.844 -71.917 0.00 0.00 O ATOM 14344 C5 U A 672 178.618 105.066 -74.250 0.00 0.00 C ATOM 14345 C6 U A 672 178.474 105.914 -75.305 0.00 0.00 C ATOM 14346 P A A 673 182.250 109.072 -78.822 0.00 0.00 P ATOM 14347 O1P A A 673 182.731 109.677 -80.084 0.00 0.00 O ATOM 14348 O2P A A 673 182.809 107.793 -78.340 0.00 0.00 O ATOM 14349 O5* A A 673 182.403 110.156 -77.651 0.00 0.00 O ATOM 14350 C5* A A 673 182.217 111.530 -77.915 0.00 0.00 C ATOM 14351 C4* A A 673 182.668 112.362 -76.720 0.00 0.00 C ATOM 14352 O4* A A 673 181.846 112.157 -75.575 0.00 0.00 O ATOM 14353 C3* A A 673 184.113 112.060 -76.324 0.00 0.00 C ATOM 14354 O3* A A 673 185.002 112.759 -77.172 0.00 0.00 O ATOM 14355 C2* A A 673 184.079 112.588 -74.898 0.00 0.00 C ATOM 14356 O2* A A 673 184.116 113.993 -74.874 0.00 0.00 O ATOM 14357 C1* A A 673 182.682 112.224 -74.425 0.00 0.00 C ATOM 14358 N9 A A 673 182.669 110.933 -73.723 0.00 0.00 N ATOM 14359 C8 A A 673 182.486 109.677 -74.243 0.00 0.00 C ATOM 14360 N7 A A 673 182.349 108.745 -73.342 0.00 0.00 N ATOM 14361 C5 A A 673 182.521 109.438 -72.141 0.00 0.00 C ATOM 14362 C6 A A 673 182.495 109.061 -70.785 0.00 0.00 C ATOM 14363 N6 A A 673 182.251 107.821 -70.395 0.00 0.00 N ATOM 14364 N1 A A 673 182.652 109.979 -69.818 0.00 0.00 N ATOM 14365 C2 A A 673 182.851 111.241 -70.186 0.00 0.00 C ATOM 14366 N3 A A 673 182.907 111.740 -71.418 0.00 0.00 N ATOM 14367 C4 A A 673 182.730 110.771 -72.362 0.00 0.00 C ATOM 14368 P G A 674 186.537 112.355 -77.352 0.00 0.00 P ATOM 14369 O1P G A 674 186.980 113.082 -78.569 0.00 0.00 O ATOM 14370 O2P G A 674 186.645 110.888 -77.271 0.00 0.00 O ATOM 14371 O5* G A 674 187.223 112.983 -76.040 0.00 0.00 O ATOM 14372 C5* G A 674 187.478 114.369 -75.902 0.00 0.00 C ATOM 14373 C4* G A 674 187.685 114.708 -74.423 0.00 0.00 C ATOM 14374 O4* G A 674 186.542 114.298 -73.675 0.00 0.00 O ATOM 14375 C3* G A 674 188.894 114.039 -73.778 0.00 0.00 C ATOM 14376 O3* G A 674 190.115 114.695 -74.074 0.00 0.00 O ATOM 14377 C2* G A 674 188.467 114.087 -72.305 0.00 0.00 C ATOM 14378 O2* G A 674 188.563 115.349 -71.663 0.00 0.00 O ATOM 14379 C1* G A 674 186.981 113.798 -72.418 0.00 0.00 C ATOM 14380 N9 G A 674 186.757 112.345 -72.237 0.00 0.00 N ATOM 14381 C8 G A 674 186.823 111.302 -73.129 0.00 0.00 C ATOM 14382 N7 G A 674 186.503 110.143 -72.620 0.00 0.00 N ATOM 14383 C5 G A 674 186.290 110.420 -71.268 0.00 0.00 C ATOM 14384 C6 G A 674 185.952 109.571 -70.157 0.00 0.00 C ATOM 14385 O6 G A 674 185.732 108.357 -70.127 0.00 0.00 O ATOM 14386 N1 G A 674 185.881 110.261 -68.960 0.00 0.00 N ATOM 14387 C2 G A 674 186.147 111.596 -68.825 0.00 0.00 C ATOM 14388 N2 G A 674 186.058 112.148 -67.639 0.00 0.00 N ATOM 14389 N3 G A 674 186.453 112.411 -69.827 0.00 0.00 N ATOM 14390 C4 G A 674 186.499 111.762 -71.026 0.00 0.00 C ATOM 14391 P A A 675 191.532 113.994 -73.766 0.00 0.00 P ATOM 14392 O1P A A 675 192.616 114.840 -74.309 0.00 0.00 O ATOM 14393 O2P A A 675 191.462 112.558 -74.110 0.00 0.00 O ATOM 14394 O5* A A 675 191.579 114.082 -72.167 0.00 0.00 O ATOM 14395 C5* A A 675 191.817 115.310 -71.520 0.00 0.00 C ATOM 14396 C4* A A 675 191.761 115.118 -70.011 0.00 0.00 C ATOM 14397 O4* A A 675 190.478 114.673 -69.548 0.00 0.00 O ATOM 14398 C3* A A 675 192.773 114.103 -69.471 0.00 0.00 C ATOM 14399 O3* A A 675 194.129 114.527 -69.511 0.00 0.00 O ATOM 14400 C2* A A 675 192.173 113.990 -68.065 0.00 0.00 C ATOM 14401 O2* A A 675 192.245 115.216 -67.341 0.00 0.00 O ATOM 14402 C1* A A 675 190.690 113.843 -68.397 0.00 0.00 C ATOM 14403 N9 A A 675 190.306 112.441 -68.690 0.00 0.00 N ATOM 14404 C8 A A 675 190.178 111.845 -69.922 0.00 0.00 C ATOM 14405 N7 A A 675 189.645 110.660 -69.897 0.00 0.00 N ATOM 14406 C5 A A 675 189.492 110.418 -68.534 0.00 0.00 C ATOM 14407 C6 A A 675 189.038 109.305 -67.807 0.00 0.00 C ATOM 14408 N6 A A 675 188.558 108.224 -68.393 0.00 0.00 N ATOM 14409 N1 A A 675 189.112 109.290 -66.473 0.00 0.00 N ATOM 14410 C2 A A 675 189.569 110.381 -65.867 0.00 0.00 C ATOM 14411 N3 A A 675 189.973 111.535 -66.411 0.00 0.00 N ATOM 14412 C4 A A 675 189.925 111.477 -67.779 0.00 0.00 C ATOM 14413 P A A 676 195.348 113.468 -69.604 0.00 0.00 P ATOM 14414 O1P A A 676 196.626 114.203 -69.538 0.00 0.00 O ATOM 14415 O2P A A 676 195.092 112.513 -70.721 0.00 0.00 O ATOM 14416 O5* A A 676 195.190 112.628 -68.247 0.00 0.00 O ATOM 14417 C5* A A 676 195.544 113.138 -66.977 0.00 0.00 C ATOM 14418 C4* A A 676 195.224 112.092 -65.900 0.00 0.00 C ATOM 14419 O4* A A 676 193.836 111.761 -65.899 0.00 0.00 O ATOM 14420 C3* A A 676 195.986 110.781 -66.091 0.00 0.00 C ATOM 14421 O3* A A 676 197.333 110.857 -65.644 0.00 0.00 O ATOM 14422 C2* A A 676 195.075 109.834 -65.298 0.00 0.00 C ATOM 14423 O2* A A 676 195.157 109.971 -63.886 0.00 0.00 O ATOM 14424 C1* A A 676 193.696 110.359 -65.699 0.00 0.00 C ATOM 14425 N9 A A 676 193.193 109.682 -66.918 0.00 0.00 N ATOM 14426 C8 A A 676 193.250 110.070 -68.237 0.00 0.00 C ATOM 14427 N7 A A 676 192.734 109.210 -69.074 0.00 0.00 N ATOM 14428 C5 A A 676 192.260 108.196 -68.235 0.00 0.00 C ATOM 14429 C6 A A 676 191.559 106.986 -68.447 0.00 0.00 C ATOM 14430 N6 A A 676 191.169 106.570 -69.642 0.00 0.00 N ATOM 14431 N1 A A 676 191.251 106.185 -67.415 0.00 0.00 N ATOM 14432 C2 A A 676 191.582 106.604 -66.196 0.00 0.00 C ATOM 14433 N3 A A 676 192.230 107.707 -65.843 0.00 0.00 N ATOM 14434 C4 A A 676 192.541 108.473 -66.925 0.00 0.00 C ATOM 14435 P U A 677 198.435 109.768 -66.078 0.00 0.00 P ATOM 14436 O1P U A 677 199.748 110.164 -65.531 0.00 0.00 O ATOM 14437 O2P U A 677 198.303 109.509 -67.533 0.00 0.00 O ATOM 14438 O5* U A 677 197.962 108.437 -65.327 0.00 0.00 O ATOM 14439 C5* U A 677 198.076 108.297 -63.926 0.00 0.00 C ATOM 14440 C4* U A 677 197.557 106.920 -63.498 0.00 0.00 C ATOM 14441 O4* U A 677 196.186 106.737 -63.833 0.00 0.00 O ATOM 14442 C3* U A 677 198.327 105.778 -64.163 0.00 0.00 C ATOM 14443 O3* U A 677 199.577 105.542 -63.535 0.00 0.00 O ATOM 14444 C2* U A 677 197.316 104.641 -63.992 0.00 0.00 C ATOM 14445 O2* U A 677 197.305 104.103 -62.677 0.00 0.00 O ATOM 14446 C1* U A 677 195.985 105.371 -64.195 0.00 0.00 C ATOM 14447 N1 U A 677 195.481 105.244 -65.592 0.00 0.00 N ATOM 14448 C2 U A 677 194.655 104.152 -65.891 0.00 0.00 C ATOM 14449 O2 U A 677 194.430 103.228 -65.110 0.00 0.00 O ATOM 14450 N3 U A 677 194.074 104.129 -67.144 0.00 0.00 N ATOM 14451 C4 U A 677 194.325 105.039 -68.149 0.00 0.00 C ATOM 14452 O4 U A 677 193.801 104.876 -69.238 0.00 0.00 O ATOM 14453 C5 U A 677 195.217 106.117 -67.791 0.00 0.00 C ATOM 14454 C6 U A 677 195.762 106.194 -66.551 0.00 0.00 C ATOM 14455 P U A 678 200.793 104.831 -64.307 0.00 0.00 P ATOM 14456 O1P U A 678 201.822 104.698 -63.249 0.00 0.00 O ATOM 14457 O2P U A 678 201.079 105.592 -65.537 0.00 0.00 O ATOM 14458 O5* U A 678 200.235 103.388 -64.707 0.00 0.00 O ATOM 14459 C5* U A 678 200.113 102.332 -63.771 0.00 0.00 C ATOM 14460 C4* U A 678 199.503 101.101 -64.450 0.00 0.00 C ATOM 14461 O4* U A 678 198.200 101.388 -64.946 0.00 0.00 O ATOM 14462 C3* U A 678 200.314 100.599 -65.643 0.00 0.00 C ATOM 14463 O3* U A 678 201.468 99.875 -65.226 0.00 0.00 O ATOM 14464 C2* U A 678 199.240 99.781 -66.372 0.00 0.00 C ATOM 14465 O2* U A 678 199.045 98.496 -65.792 0.00 0.00 O ATOM 14466 C1* U A 678 197.992 100.645 -66.147 0.00 0.00 C ATOM 14467 N1 U A 678 197.718 101.545 -67.313 0.00 0.00 N ATOM 14468 C2 U A 678 197.010 101.021 -68.403 0.00 0.00 C ATOM 14469 O2 U A 678 196.661 99.846 -68.477 0.00 0.00 O ATOM 14470 N3 U A 678 196.688 101.897 -69.428 0.00 0.00 N ATOM 14471 C4 U A 678 196.999 103.237 -69.477 0.00 0.00 C ATOM 14472 O4 U A 678 196.609 103.921 -70.418 0.00 0.00 O ATOM 14473 C5 U A 678 197.777 103.698 -68.344 0.00 0.00 C ATOM 14474 C6 U A 678 198.117 102.866 -67.324 0.00 0.00 C ATOM 14475 P C A 679 202.752 99.729 -66.166 0.00 0.00 P ATOM 14476 O1P C A 679 203.816 99.057 -65.382 0.00 0.00 O ATOM 14477 O2P C A 679 203.087 101.093 -66.625 0.00 0.00 O ATOM 14478 O5* C A 679 202.324 98.810 -67.406 0.00 0.00 O ATOM 14479 C5* C A 679 201.876 97.475 -67.247 0.00 0.00 C ATOM 14480 C4* C A 679 201.099 96.978 -68.484 0.00 0.00 C ATOM 14481 O4* C A 679 199.883 97.690 -68.719 0.00 0.00 O ATOM 14482 C3* C A 679 201.891 97.057 -69.784 0.00 0.00 C ATOM 14483 O3* C A 679 202.815 95.986 -69.885 0.00 0.00 O ATOM 14484 C2* C A 679 200.747 97.027 -70.810 0.00 0.00 C ATOM 14485 O2* C A 679 200.168 95.739 -70.995 0.00 0.00 O ATOM 14486 C1* C A 679 199.692 97.893 -70.120 0.00 0.00 C ATOM 14487 N1 C A 679 199.795 99.340 -70.495 0.00 0.00 N ATOM 14488 C2 C A 679 199.102 99.817 -71.623 0.00 0.00 C ATOM 14489 O2 C A 679 198.512 99.055 -72.396 0.00 0.00 O ATOM 14490 N3 C A 679 199.075 101.153 -71.885 0.00 0.00 N ATOM 14491 C4 C A 679 199.722 101.988 -71.076 0.00 0.00 C ATOM 14492 N4 C A 679 199.665 103.274 -71.330 0.00 0.00 N ATOM 14493 C5 C A 679 200.479 101.551 -69.957 0.00 0.00 C ATOM 14494 C6 C A 679 200.501 100.222 -69.711 0.00 0.00 C ATOM 14495 P C A 680 204.179 96.136 -70.716 0.00 0.00 P ATOM 14496 O1P C A 680 204.904 94.854 -70.602 0.00 0.00 O ATOM 14497 O2P C A 680 204.846 97.385 -70.286 0.00 0.00 O ATOM 14498 O5* C A 680 203.645 96.301 -72.225 0.00 0.00 O ATOM 14499 C5* C A 680 203.105 95.200 -72.939 0.00 0.00 C ATOM 14500 C4* C A 680 202.517 95.614 -74.296 0.00 0.00 C ATOM 14501 O4* C A 680 201.400 96.497 -74.167 0.00 0.00 O ATOM 14502 C3* C A 680 203.520 96.313 -75.209 0.00 0.00 C ATOM 14503 O3* C A 680 204.445 95.409 -75.794 0.00 0.00 O ATOM 14504 C2* C A 680 202.542 96.979 -76.188 0.00 0.00 C ATOM 14505 O2* C A 680 201.933 96.073 -77.102 0.00 0.00 O ATOM 14506 C1* C A 680 201.436 97.446 -75.237 0.00 0.00 C ATOM 14507 N1 C A 680 201.669 98.836 -74.736 0.00 0.00 N ATOM 14508 C2 C A 680 201.252 99.925 -75.520 0.00 0.00 C ATOM 14509 O2 C A 680 200.799 99.771 -76.659 0.00 0.00 O ATOM 14510 N3 C A 680 201.356 101.189 -75.030 0.00 0.00 N ATOM 14511 C4 C A 680 201.893 101.380 -73.829 0.00 0.00 C ATOM 14512 N4 C A 680 202.018 102.616 -73.406 0.00 0.00 N ATOM 14513 C5 C A 680 202.365 100.315 -73.012 0.00 0.00 C ATOM 14514 C6 C A 680 202.247 99.062 -73.508 0.00 0.00 C ATOM 14515 P A A 681 205.868 95.915 -76.349 0.00 0.00 P ATOM 14516 O1P A A 681 206.592 94.754 -76.903 0.00 0.00 O ATOM 14517 O2P A A 681 206.515 96.745 -75.300 0.00 0.00 O ATOM 14518 O5* A A 681 205.426 96.868 -77.570 0.00 0.00 O ATOM 14519 C5* A A 681 204.967 96.337 -78.804 0.00 0.00 C ATOM 14520 C4* A A 681 204.687 97.454 -79.815 0.00 0.00 C ATOM 14521 O4* A A 681 203.581 98.267 -79.428 0.00 0.00 O ATOM 14522 C3* A A 681 205.873 98.399 -80.003 0.00 0.00 C ATOM 14523 O3* A A 681 206.935 97.843 -80.759 0.00 0.00 O ATOM 14524 C2* A A 681 205.143 99.583 -80.648 0.00 0.00 C ATOM 14525 O2* A A 681 204.731 99.368 -81.994 0.00 0.00 O ATOM 14526 C1* A A 681 203.879 99.613 -79.787 0.00 0.00 C ATOM 14527 N9 A A 681 204.092 100.427 -78.570 0.00 0.00 N ATOM 14528 C8 A A 681 204.460 100.036 -77.304 0.00 0.00 C ATOM 14529 N7 A A 681 204.503 101.006 -76.435 0.00 0.00 N ATOM 14530 C5 A A 681 204.179 102.131 -77.200 0.00 0.00 C ATOM 14531 C6 A A 681 204.063 103.511 -76.929 0.00 0.00 C ATOM 14532 N6 A A 681 204.238 104.043 -75.732 0.00 0.00 N ATOM 14533 N1 A A 681 203.756 104.371 -77.913 0.00 0.00 N ATOM 14534 C2 A A 681 203.572 103.887 -79.136 0.00 0.00 C ATOM 14535 N3 A A 681 203.641 102.623 -79.537 0.00 0.00 N ATOM 14536 C4 A A 681 203.950 101.788 -78.506 0.00 0.00 C ATOM 14537 P G A 682 208.437 98.417 -80.643 0.00 0.00 P ATOM 14538 O1P G A 682 209.301 97.642 -81.557 0.00 0.00 O ATOM 14539 O2P G A 682 208.815 98.569 -79.214 0.00 0.00 O ATOM 14540 O5* G A 682 208.252 99.888 -81.249 0.00 0.00 O ATOM 14541 C5* G A 682 208.076 100.089 -82.639 0.00 0.00 C ATOM 14542 C4* G A 682 207.937 101.581 -82.934 0.00 0.00 C ATOM 14543 O4* G A 682 206.779 102.126 -82.308 0.00 0.00 O ATOM 14544 C3* G A 682 209.111 102.405 -82.417 0.00 0.00 C ATOM 14545 O3* G A 682 210.300 102.271 -83.172 0.00 0.00 O ATOM 14546 C2* G A 682 208.472 103.792 -82.474 0.00 0.00 C ATOM 14547 O2* G A 682 208.319 104.328 -83.781 0.00 0.00 O ATOM 14548 C1* G A 682 207.069 103.475 -81.960 0.00 0.00 C ATOM 14549 N9 G A 682 207.020 103.713 -80.500 0.00 0.00 N ATOM 14550 C8 G A 682 207.143 102.849 -79.442 0.00 0.00 C ATOM 14551 N7 G A 682 207.105 103.434 -78.273 0.00 0.00 N ATOM 14552 C5 G A 682 206.981 104.796 -78.573 0.00 0.00 C ATOM 14553 C6 G A 682 206.924 105.980 -77.748 0.00 0.00 C ATOM 14554 O6 G A 682 206.924 106.101 -76.522 0.00 0.00 O ATOM 14555 N1 G A 682 206.868 107.151 -78.489 0.00 0.00 N ATOM 14556 C2 G A 682 206.833 107.188 -79.855 0.00 0.00 C ATOM 14557 N2 G A 682 206.820 108.351 -80.458 0.00 0.00 N ATOM 14558 N3 G A 682 206.858 106.123 -80.642 0.00 0.00 N ATOM 14559 C4 G A 682 206.935 104.958 -79.941 0.00 0.00 C ATOM 14560 P G A 683 211.730 102.645 -82.533 0.00 0.00 P ATOM 14561 O1P G A 683 212.771 102.263 -83.509 0.00 0.00 O ATOM 14562 O2P G A 683 211.770 102.110 -81.153 0.00 0.00 O ATOM 14563 O5* G A 683 211.663 104.251 -82.431 0.00 0.00 O ATOM 14564 C5* G A 683 211.644 105.061 -83.594 0.00 0.00 C ATOM 14565 C4* G A 683 211.363 106.525 -83.221 0.00 0.00 C ATOM 14566 O4* G A 683 210.171 106.584 -82.436 0.00 0.00 O ATOM 14567 C3* G A 683 212.470 107.232 -82.430 0.00 0.00 C ATOM 14568 O3* G A 683 213.432 107.911 -83.227 0.00 0.00 O ATOM 14569 C2* G A 683 211.660 108.244 -81.608 0.00 0.00 C ATOM 14570 O2* G A 683 211.347 109.466 -82.260 0.00 0.00 O ATOM 14571 C1* G A 683 210.333 107.530 -81.386 0.00 0.00 C ATOM 14572 N9 G A 683 210.300 106.963 -80.018 0.00 0.00 N ATOM 14573 C8 G A 683 210.371 105.669 -79.571 0.00 0.00 C ATOM 14574 N7 G A 683 210.315 105.560 -78.269 0.00 0.00 N ATOM 14575 C5 G A 683 210.252 106.878 -77.805 0.00 0.00 C ATOM 14576 C6 G A 683 210.260 107.457 -76.481 0.00 0.00 C ATOM 14577 O6 G A 683 210.267 106.919 -75.383 0.00 0.00 O ATOM 14578 N1 G A 683 210.331 108.842 -76.478 0.00 0.00 N ATOM 14579 C2 G A 683 210.233 109.582 -77.616 0.00 0.00 C ATOM 14580 N2 G A 683 210.173 110.882 -77.501 0.00 0.00 N ATOM 14581 N3 G A 683 210.199 109.095 -78.849 0.00 0.00 N ATOM 14582 C4 G A 683 210.238 107.733 -78.882 0.00 0.00 C ATOM 14583 P U A 684 214.866 107.258 -83.588 0.00 0.00 P ATOM 14584 O1P U A 684 215.389 107.960 -84.780 0.00 0.00 O ATOM 14585 O2P U A 684 214.745 105.792 -83.595 0.00 0.00 O ATOM 14586 O5* U A 684 215.771 107.668 -82.319 0.00 0.00 O ATOM 14587 C5* U A 684 216.394 108.940 -82.255 0.00 0.00 C ATOM 14588 C4* U A 684 215.938 109.755 -81.043 0.00 0.00 C ATOM 14589 O4* U A 684 214.622 109.423 -80.613 0.00 0.00 O ATOM 14590 C3* U A 684 216.856 109.657 -79.832 0.00 0.00 C ATOM 14591 O3* U A 684 217.983 110.495 -80.020 0.00 0.00 O ATOM 14592 C2* U A 684 215.891 110.179 -78.763 0.00 0.00 C ATOM 14593 O2* U A 684 215.675 111.582 -78.825 0.00 0.00 O ATOM 14594 C1* U A 684 214.558 109.581 -79.204 0.00 0.00 C ATOM 14595 N1 U A 684 214.236 108.323 -78.483 0.00 0.00 N ATOM 14596 C2 U A 684 213.812 108.467 -77.163 0.00 0.00 C ATOM 14597 O2 U A 684 213.687 109.563 -76.619 0.00 0.00 O ATOM 14598 N3 U A 684 213.487 107.319 -76.482 0.00 0.00 N ATOM 14599 C4 U A 684 213.420 106.052 -77.019 0.00 0.00 C ATOM 14600 O4 U A 684 213.034 105.129 -76.315 0.00 0.00 O ATOM 14601 C5 U A 684 213.820 105.981 -78.414 0.00 0.00 C ATOM 14602 C6 U A 684 214.231 107.086 -79.092 0.00 0.00 C ATOM 14603 P G A 685 219.296 110.376 -79.115 0.00 0.00 P ATOM 14604 O1P G A 685 220.120 111.551 -79.483 0.00 0.00 O ATOM 14605 O2P G A 685 219.816 109.006 -79.281 0.00 0.00 O ATOM 14606 O5* G A 685 218.739 110.517 -77.608 0.00 0.00 O ATOM 14607 C5* G A 685 218.576 111.757 -76.939 0.00 0.00 C ATOM 14608 C4* G A 685 218.188 111.509 -75.472 0.00 0.00 C ATOM 14609 O4* G A 685 216.952 110.816 -75.341 0.00 0.00 O ATOM 14610 C3* G A 685 219.237 110.657 -74.770 0.00 0.00 C ATOM 14611 O3* G A 685 220.375 111.412 -74.405 0.00 0.00 O ATOM 14612 C2* G A 685 218.437 110.056 -73.614 0.00 0.00 C ATOM 14613 O2* G A 685 218.250 110.898 -72.488 0.00 0.00 O ATOM 14614 C1* G A 685 217.079 109.869 -74.288 0.00 0.00 C ATOM 14615 N9 G A 685 216.951 108.497 -74.809 0.00 0.00 N ATOM 14616 C8 G A 685 217.242 107.971 -76.042 0.00 0.00 C ATOM 14617 N7 G A 685 216.908 106.717 -76.175 0.00 0.00 N ATOM 14618 C5 G A 685 216.405 106.372 -74.917 0.00 0.00 C ATOM 14619 C6 G A 685 215.896 105.135 -74.400 0.00 0.00 C ATOM 14620 O6 G A 685 215.788 104.052 -74.965 0.00 0.00 O ATOM 14621 N1 G A 685 215.488 105.245 -73.083 0.00 0.00 N ATOM 14622 C2 G A 685 215.622 106.367 -72.318 0.00 0.00 C ATOM 14623 N2 G A 685 215.202 106.302 -71.079 0.00 0.00 N ATOM 14624 N3 G A 685 216.121 107.518 -72.755 0.00 0.00 N ATOM 14625 C4 G A 685 216.472 107.455 -74.070 0.00 0.00 C ATOM 14626 P U A 686 221.793 110.695 -74.248 0.00 0.00 P ATOM 14627 O1P U A 686 222.788 111.688 -73.791 0.00 0.00 O ATOM 14628 O2P U A 686 222.055 109.849 -75.427 0.00 0.00 O ATOM 14629 O5* U A 686 221.439 109.721 -73.032 0.00 0.00 O ATOM 14630 C5* U A 686 222.417 109.270 -72.135 0.00 0.00 C ATOM 14631 C4* U A 686 221.932 109.592 -70.713 0.00 0.00 C ATOM 14632 O4* U A 686 220.645 109.028 -70.439 0.00 0.00 O ATOM 14633 C3* U A 686 222.886 108.992 -69.682 0.00 0.00 C ATOM 14634 O3* U A 686 222.720 109.775 -68.496 0.00 0.00 O ATOM 14635 C2* U A 686 222.297 107.571 -69.670 0.00 0.00 C ATOM 14636 O2* U A 686 222.744 106.739 -68.635 0.00 0.00 O ATOM 14637 C1* U A 686 220.812 107.904 -69.591 0.00 0.00 C ATOM 14638 N1 U A 686 219.890 106.817 -70.011 0.00 0.00 N ATOM 14639 C2 U A 686 218.957 106.335 -69.082 0.00 0.00 C ATOM 14640 O2 U A 686 218.837 106.778 -67.941 0.00 0.00 O ATOM 14641 N3 U A 686 218.138 105.311 -69.502 0.00 0.00 N ATOM 14642 C4 U A 686 218.101 104.790 -70.773 0.00 0.00 C ATOM 14643 O4 U A 686 217.295 103.920 -71.042 0.00 0.00 O ATOM 14644 C5 U A 686 219.043 105.374 -71.700 0.00 0.00 C ATOM 14645 C6 U A 686 219.893 106.356 -71.310 0.00 0.00 C ATOM 14646 P A A 687 223.891 109.927 -67.392 0.00 0.00 P ATOM 14647 O1P A A 687 223.814 111.298 -66.796 0.00 0.00 O ATOM 14648 O2P A A 687 225.155 109.464 -68.002 0.00 0.00 O ATOM 14649 O5* A A 687 223.442 108.851 -66.277 0.00 0.00 O ATOM 14650 C5* A A 687 222.626 109.220 -65.177 0.00 0.00 C ATOM 14651 C4* A A 687 222.184 108.013 -64.325 0.00 0.00 C ATOM 14652 O4* A A 687 221.310 107.166 -65.058 0.00 0.00 O ATOM 14653 C3* A A 687 223.362 107.132 -63.863 0.00 0.00 C ATOM 14654 O3* A A 687 223.979 107.465 -62.614 0.00 0.00 O ATOM 14655 C2* A A 687 222.906 105.688 -64.171 0.00 0.00 C ATOM 14656 O2* A A 687 223.035 104.688 -63.179 0.00 0.00 O ATOM 14657 C1* A A 687 221.434 105.848 -64.552 0.00 0.00 C ATOM 14658 N9 A A 687 221.016 104.889 -65.604 0.00 0.00 N ATOM 14659 C8 A A 687 221.630 104.675 -66.806 0.00 0.00 C ATOM 14660 N7 A A 687 220.976 103.910 -67.641 0.00 0.00 N ATOM 14661 C5 A A 687 219.895 103.470 -66.856 0.00 0.00 C ATOM 14662 C6 A A 687 218.847 102.529 -67.046 0.00 0.00 C ATOM 14663 N6 A A 687 218.640 101.853 -68.168 0.00 0.00 N ATOM 14664 N1 A A 687 218.007 102.225 -66.044 0.00 0.00 N ATOM 14665 C2 A A 687 218.182 102.858 -64.882 0.00 0.00 C ATOM 14666 N3 A A 687 219.104 103.764 -64.556 0.00 0.00 N ATOM 14667 C4 A A 687 219.939 104.033 -65.601 0.00 0.00 C ATOM 14668 P G A 688 223.285 107.574 -61.147 0.00 0.00 P ATOM 14669 O1P G A 688 224.313 108.119 -60.238 0.00 0.00 O ATOM 14670 O2P G A 688 222.632 106.297 -60.791 0.00 0.00 O ATOM 14671 O5* G A 688 222.148 108.714 -61.278 0.00 0.00 O ATOM 14672 C5* G A 688 220.972 108.670 -60.485 0.00 0.00 C ATOM 14673 C4* G A 688 219.786 108.115 -61.243 0.00 0.00 C ATOM 14674 O4* G A 688 219.979 106.800 -61.749 0.00 0.00 O ATOM 14675 C3* G A 688 218.528 108.074 -60.361 0.00 0.00 C ATOM 14676 O3* G A 688 217.961 109.368 -60.120 0.00 0.00 O ATOM 14677 C2* G A 688 217.723 107.169 -61.290 0.00 0.00 C ATOM 14678 O2* G A 688 217.353 107.922 -62.434 0.00 0.00 O ATOM 14679 C1* G A 688 218.752 106.101 -61.689 0.00 0.00 C ATOM 14680 N9 G A 688 218.857 104.991 -60.702 0.00 0.00 N ATOM 14681 C8 G A 688 219.830 104.735 -59.767 0.00 0.00 C ATOM 14682 N7 G A 688 219.595 103.694 -59.010 0.00 0.00 N ATOM 14683 C5 G A 688 218.388 103.189 -59.498 0.00 0.00 C ATOM 14684 C6 G A 688 217.600 102.041 -59.120 0.00 0.00 C ATOM 14685 O6 G A 688 217.788 101.202 -58.239 0.00 0.00 O ATOM 14686 N1 G A 688 216.479 101.880 -59.911 0.00 0.00 N ATOM 14687 C2 G A 688 216.181 102.669 -60.979 0.00 0.00 C ATOM 14688 N2 G A 688 215.116 102.366 -61.677 0.00 0.00 N ATOM 14689 N3 G A 688 216.882 103.732 -61.355 0.00 0.00 N ATOM 14690 C4 G A 688 217.968 103.953 -60.568 0.00 0.00 C ATOM 14691 P C A 689 216.791 109.635 -59.030 0.00 0.00 P ATOM 14692 O1P C A 689 216.463 111.087 -59.003 0.00 0.00 O ATOM 14693 O2P C A 689 217.178 108.938 -57.780 0.00 0.00 O ATOM 14694 O5* C A 689 215.502 108.880 -59.567 0.00 0.00 O ATOM 14695 C5* C A 689 214.816 109.198 -60.755 0.00 0.00 C ATOM 14696 C4* C A 689 213.805 108.066 -60.992 0.00 0.00 C ATOM 14697 O4* C A 689 214.441 106.791 -61.040 0.00 0.00 O ATOM 14698 C3* C A 689 212.789 107.961 -59.868 0.00 0.00 C ATOM 14699 O3* C A 689 211.701 108.846 -60.072 0.00 0.00 O ATOM 14700 C2* C A 689 212.425 106.473 -59.843 0.00 0.00 C ATOM 14701 O2* C A 689 211.454 106.064 -60.787 0.00 0.00 O ATOM 14702 C1* C A 689 213.723 105.812 -60.280 0.00 0.00 C ATOM 14703 N1 C A 689 214.477 105.263 -59.112 0.00 0.00 N ATOM 14704 C2 C A 689 214.032 104.069 -58.507 0.00 0.00 C ATOM 14705 O2 C A 689 212.991 103.508 -58.859 0.00 0.00 O ATOM 14706 N3 C A 689 214.760 103.506 -57.504 0.00 0.00 N ATOM 14707 C4 C A 689 215.870 104.111 -57.099 0.00 0.00 C ATOM 14708 N4 C A 689 216.572 103.544 -56.154 0.00 0.00 N ATOM 14709 C5 C A 689 216.331 105.339 -57.638 0.00 0.00 C ATOM 14710 C6 C A 689 215.609 105.883 -58.639 0.00 0.00 C ATOM 14711 P G A 690 211.067 109.602 -58.807 0.00 0.00 P ATOM 14712 O1P G A 690 209.922 110.421 -59.256 0.00 0.00 O ATOM 14713 O2P G A 690 212.195 110.233 -58.089 0.00 0.00 O ATOM 14714 O5* G A 690 210.538 108.357 -57.937 0.00 0.00 O ATOM 14715 C5* G A 690 209.475 107.538 -58.390 0.00 0.00 C ATOM 14716 C4* G A 690 209.306 106.305 -57.489 0.00 0.00 C ATOM 14717 O4* G A 690 210.463 105.470 -57.456 0.00 0.00 O ATOM 14718 C3* G A 690 208.968 106.691 -56.055 0.00 0.00 C ATOM 14719 O3* G A 690 207.571 106.964 -55.964 0.00 0.00 O ATOM 14720 C2* G A 690 209.472 105.433 -55.321 0.00 0.00 C ATOM 14721 O2* G A 690 208.572 104.335 -55.397 0.00 0.00 O ATOM 14722 C1* G A 690 210.689 104.989 -56.134 0.00 0.00 C ATOM 14723 N9 G A 690 212.006 105.465 -55.617 0.00 0.00 N ATOM 14724 C8 G A 690 212.697 106.595 -55.986 0.00 0.00 C ATOM 14725 N7 G A 690 213.912 106.672 -55.513 0.00 0.00 N ATOM 14726 C5 G A 690 214.036 105.525 -54.727 0.00 0.00 C ATOM 14727 C6 G A 690 215.138 105.055 -53.924 0.00 0.00 C ATOM 14728 O6 G A 690 216.260 105.543 -53.777 0.00 0.00 O ATOM 14729 N1 G A 690 214.853 103.899 -53.214 0.00 0.00 N ATOM 14730 C2 G A 690 213.658 103.246 -53.302 0.00 0.00 C ATOM 14731 N2 G A 690 213.519 102.204 -52.511 0.00 0.00 N ATOM 14732 N3 G A 690 212.631 103.625 -54.080 0.00 0.00 N ATOM 14733 C4 G A 690 212.868 104.789 -54.764 0.00 0.00 C ATOM 14734 P G A 691 206.946 107.959 -54.861 0.00 0.00 P ATOM 14735 O1P G A 691 205.471 107.942 -54.965 0.00 0.00 O ATOM 14736 O2P G A 691 207.670 109.253 -54.863 0.00 0.00 O ATOM 14737 O5* G A 691 207.362 107.211 -53.521 0.00 0.00 O ATOM 14738 C5* G A 691 206.661 106.086 -53.028 0.00 0.00 C ATOM 14739 C4* G A 691 207.456 105.505 -51.855 0.00 0.00 C ATOM 14740 O4* G A 691 208.735 105.057 -52.284 0.00 0.00 O ATOM 14741 C3* G A 691 207.708 106.557 -50.782 0.00 0.00 C ATOM 14742 O3* G A 691 206.558 106.732 -49.971 0.00 0.00 O ATOM 14743 C2* G A 691 208.996 106.048 -50.121 0.00 0.00 C ATOM 14744 O2* G A 691 208.861 105.015 -49.165 0.00 0.00 O ATOM 14745 C1* G A 691 209.713 105.429 -51.322 0.00 0.00 C ATOM 14746 N9 G A 691 210.735 106.368 -51.842 0.00 0.00 N ATOM 14747 C8 G A 691 210.616 107.449 -52.678 0.00 0.00 C ATOM 14748 N7 G A 691 211.748 108.047 -52.934 0.00 0.00 N ATOM 14749 C5 G A 691 212.692 107.344 -52.178 0.00 0.00 C ATOM 14750 C6 G A 691 214.124 107.482 -52.043 0.00 0.00 C ATOM 14751 O6 G A 691 214.899 108.238 -52.633 0.00 0.00 O ATOM 14752 N1 G A 691 214.680 106.563 -51.157 0.00 0.00 N ATOM 14753 C2 G A 691 213.945 105.595 -50.521 0.00 0.00 C ATOM 14754 N2 G A 691 214.575 104.667 -49.844 0.00 0.00 N ATOM 14755 N3 G A 691 212.632 105.412 -50.659 0.00 0.00 N ATOM 14756 C4 G A 691 212.062 106.326 -51.495 0.00 0.00 C ATOM 14757 P U A 692 206.239 108.143 -49.275 0.00 0.00 P ATOM 14758 O1P U A 692 204.842 108.143 -48.790 0.00 0.00 O ATOM 14759 O2P U A 692 206.698 109.223 -50.179 0.00 0.00 O ATOM 14760 O5* U A 692 207.215 108.039 -48.010 0.00 0.00 O ATOM 14761 C5* U A 692 206.998 107.031 -47.041 0.00 0.00 C ATOM 14762 C4* U A 692 208.029 107.061 -45.920 0.00 0.00 C ATOM 14763 O4* U A 692 209.295 106.569 -46.355 0.00 0.00 O ATOM 14764 C3* U A 692 208.233 108.450 -45.309 0.00 0.00 C ATOM 14765 O3* U A 692 207.220 108.753 -44.360 0.00 0.00 O ATOM 14766 C2* U A 692 209.599 108.213 -44.678 0.00 0.00 C ATOM 14767 O2* U A 692 209.401 107.463 -43.487 0.00 0.00 O ATOM 14768 C1* U A 692 210.315 107.338 -45.721 0.00 0.00 C ATOM 14769 N1 U A 692 211.113 108.096 -46.740 0.00 0.00 N ATOM 14770 C2 U A 692 212.498 108.202 -46.553 0.00 0.00 C ATOM 14771 O2 U A 692 213.082 107.811 -45.551 0.00 0.00 O ATOM 14772 N3 U A 692 213.244 108.732 -47.583 0.00 0.00 N ATOM 14773 C4 U A 692 212.759 109.152 -48.800 0.00 0.00 C ATOM 14774 O4 U A 692 213.526 109.583 -49.651 0.00 0.00 O ATOM 14775 C5 U A 692 211.325 109.018 -48.934 0.00 0.00 C ATOM 14776 C6 U A 692 210.554 108.530 -47.924 0.00 0.00 C ATOM 14777 P G A 693 207.132 110.181 -43.642 0.00 0.00 P ATOM 14778 O1P G A 693 205.884 110.182 -42.843 0.00 0.00 O ATOM 14779 O2P G A 693 207.312 111.224 -44.666 0.00 0.00 O ATOM 14780 O5* G A 693 208.344 110.310 -42.579 0.00 0.00 O ATOM 14781 C5* G A 693 208.602 111.550 -41.928 0.00 0.00 C ATOM 14782 C4* G A 693 209.927 111.567 -41.145 0.00 0.00 C ATOM 14783 O4* G A 693 209.872 110.699 -40.018 0.00 0.00 O ATOM 14784 C3* G A 693 211.123 111.154 -41.997 0.00 0.00 C ATOM 14785 O3* G A 693 211.632 112.241 -42.776 0.00 0.00 O ATOM 14786 C2* G A 693 212.074 110.591 -40.925 0.00 0.00 C ATOM 14787 O2* G A 693 212.903 111.554 -40.297 0.00 0.00 O ATOM 14788 C1* G A 693 211.141 110.082 -39.831 0.00 0.00 C ATOM 14789 N9 G A 693 210.979 108.609 -39.853 0.00 0.00 N ATOM 14790 C8 G A 693 209.896 107.900 -40.307 0.00 0.00 C ATOM 14791 N7 G A 693 209.959 106.618 -40.083 0.00 0.00 N ATOM 14792 C5 G A 693 211.202 106.450 -39.471 0.00 0.00 C ATOM 14793 C6 G A 693 211.867 105.262 -39.015 0.00 0.00 C ATOM 14794 O6 G A 693 211.484 104.103 -39.051 0.00 0.00 O ATOM 14795 N1 G A 693 213.121 105.487 -38.473 0.00 0.00 N ATOM 14796 C2 G A 693 213.681 106.732 -38.392 0.00 0.00 C ATOM 14797 N2 G A 693 214.906 106.805 -37.906 0.00 0.00 N ATOM 14798 N3 G A 693 213.084 107.866 -38.781 0.00 0.00 N ATOM 14799 C4 G A 693 211.843 107.663 -39.329 0.00 0.00 C ATOM 14800 P A A 694 212.603 111.964 -44.028 0.00 0.00 P ATOM 14801 O1P A A 694 212.977 113.209 -44.752 0.00 0.00 O ATOM 14802 O2P A A 694 212.078 110.794 -44.766 0.00 0.00 O ATOM 14803 O5* A A 694 213.909 111.502 -43.240 0.00 0.00 O ATOM 14804 C5* A A 694 214.925 110.846 -43.953 0.00 0.00 C ATOM 14805 C4* A A 694 215.713 109.895 -43.057 0.00 0.00 C ATOM 14806 O4* A A 694 214.954 109.310 -42.005 0.00 0.00 O ATOM 14807 C3* A A 694 216.177 108.740 -43.928 0.00 0.00 C ATOM 14808 O3* A A 694 217.245 109.176 -44.752 0.00 0.00 O ATOM 14809 C2* A A 694 216.453 107.679 -42.858 0.00 0.00 C ATOM 14810 O2* A A 694 217.644 107.892 -42.113 0.00 0.00 O ATOM 14811 C1* A A 694 215.285 107.934 -41.895 0.00 0.00 C ATOM 14812 N9 A A 694 214.077 107.129 -42.199 0.00 0.00 N ATOM 14813 C8 A A 694 212.886 107.536 -42.751 0.00 0.00 C ATOM 14814 N7 A A 694 211.976 106.604 -42.841 0.00 0.00 N ATOM 14815 C5 A A 694 212.636 105.481 -42.335 0.00 0.00 C ATOM 14816 C6 A A 694 212.285 104.122 -42.183 0.00 0.00 C ATOM 14817 N6 A A 694 211.124 103.610 -42.551 0.00 0.00 N ATOM 14818 N1 A A 694 213.149 103.247 -41.653 0.00 0.00 N ATOM 14819 C2 A A 694 214.333 103.704 -41.264 0.00 0.00 C ATOM 14820 N3 A A 694 214.808 104.947 -41.348 0.00 0.00 N ATOM 14821 C4 A A 694 213.903 105.795 -41.917 0.00 0.00 C ATOM 14822 P A A 695 217.330 108.770 -46.301 0.00 0.00 P ATOM 14823 O1P A A 695 218.492 109.454 -46.904 0.00 0.00 O ATOM 14824 O2P A A 695 215.992 108.936 -46.932 0.00 0.00 O ATOM 14825 O5* A A 695 217.674 107.213 -46.081 0.00 0.00 O ATOM 14826 C5* A A 695 216.985 106.169 -46.738 0.00 0.00 C ATOM 14827 C4* A A 695 217.056 104.899 -45.879 0.00 0.00 C ATOM 14828 O4* A A 695 216.034 104.878 -44.883 0.00 0.00 O ATOM 14829 C3* A A 695 216.869 103.648 -46.729 0.00 0.00 C ATOM 14830 O3* A A 695 218.100 103.273 -47.351 0.00 0.00 O ATOM 14831 C2* A A 695 216.285 102.676 -45.692 0.00 0.00 C ATOM 14832 O2* A A 695 217.261 102.123 -44.822 0.00 0.00 O ATOM 14833 C1* A A 695 215.394 103.605 -44.866 0.00 0.00 C ATOM 14834 N9 A A 695 214.023 103.738 -45.428 0.00 0.00 N ATOM 14835 C8 A A 695 213.471 104.849 -46.014 0.00 0.00 C ATOM 14836 N7 A A 695 212.202 104.744 -46.299 0.00 0.00 N ATOM 14837 C5 A A 695 211.886 103.459 -45.860 0.00 0.00 C ATOM 14838 C6 A A 695 210.683 102.719 -45.816 0.00 0.00 C ATOM 14839 N6 A A 695 209.521 103.241 -46.191 0.00 0.00 N ATOM 14840 N1 A A 695 210.671 101.459 -45.356 0.00 0.00 N ATOM 14841 C2 A A 695 211.831 100.955 -44.933 0.00 0.00 C ATOM 14842 N3 A A 695 213.032 101.538 -44.898 0.00 0.00 N ATOM 14843 C4 A A 695 212.993 102.817 -45.368 0.00 0.00 C ATOM 14844 P A A 696 218.170 102.784 -48.887 0.00 0.00 P ATOM 14845 O1P A A 696 219.571 102.822 -49.385 0.00 0.00 O ATOM 14846 O2P A A 696 217.114 103.528 -49.627 0.00 0.00 O ATOM 14847 O5* A A 696 217.710 101.245 -48.742 0.00 0.00 O ATOM 14848 C5* A A 696 218.322 100.314 -47.856 0.00 0.00 C ATOM 14849 C4* A A 696 217.336 99.196 -47.468 0.00 0.00 C ATOM 14850 O4* A A 696 216.242 99.694 -46.699 0.00 0.00 O ATOM 14851 C3* A A 696 216.734 98.453 -48.657 0.00 0.00 C ATOM 14852 O3* A A 696 217.582 97.425 -49.135 0.00 0.00 O ATOM 14853 C2* A A 696 215.452 97.921 -48.019 0.00 0.00 C ATOM 14854 O2* A A 696 215.722 96.814 -47.172 0.00 0.00 O ATOM 14855 C1* A A 696 215.026 99.101 -47.143 0.00 0.00 C ATOM 14856 N9 A A 696 214.202 100.096 -47.883 0.00 0.00 N ATOM 14857 C8 A A 696 214.604 101.294 -48.432 0.00 0.00 C ATOM 14858 N7 A A 696 213.651 102.002 -48.966 0.00 0.00 N ATOM 14859 C5 A A 696 212.523 101.219 -48.731 0.00 0.00 C ATOM 14860 C6 A A 696 211.157 101.421 -48.993 0.00 0.00 C ATOM 14861 N6 A A 696 210.724 102.512 -49.600 0.00 0.00 N ATOM 14862 N1 A A 696 210.239 100.516 -48.623 0.00 0.00 N ATOM 14863 C2 A A 696 210.685 99.424 -47.998 0.00 0.00 C ATOM 14864 N3 A A 696 211.944 99.088 -47.682 0.00 0.00 N ATOM 14865 C4 A A 696 212.833 100.054 -48.078 0.00 0.00 C ATOM 14866 P U A 697 217.411 96.851 -50.619 0.00 0.00 P ATOM 14867 O1P U A 697 218.470 95.846 -50.844 0.00 0.00 O ATOM 14868 O2P U A 697 217.296 98.023 -51.509 0.00 0.00 O ATOM 14869 O5* U A 697 215.979 96.107 -50.610 0.00 0.00 O ATOM 14870 C5* U A 697 215.790 94.851 -49.981 0.00 0.00 C ATOM 14871 C4* U A 697 214.304 94.461 -49.962 0.00 0.00 C ATOM 14872 O4* U A 697 213.530 95.487 -49.345 0.00 0.00 O ATOM 14873 C3* U A 697 213.687 94.225 -51.340 0.00 0.00 C ATOM 14874 O3* U A 697 213.896 92.916 -51.852 0.00 0.00 O ATOM 14875 C2* U A 697 212.203 94.465 -51.025 0.00 0.00 C ATOM 14876 O2* U A 697 211.538 93.338 -50.449 0.00 0.00 O ATOM 14877 C1* U A 697 212.257 95.573 -49.971 0.00 0.00 C ATOM 14878 N1 U A 697 212.004 96.908 -50.587 0.00 0.00 N ATOM 14879 C2 U A 697 210.672 97.308 -50.757 0.00 0.00 C ATOM 14880 O2 U A 697 209.718 96.624 -50.376 0.00 0.00 O ATOM 14881 N3 U A 697 210.453 98.529 -51.379 0.00 0.00 N ATOM 14882 C4 U A 697 211.444 99.394 -51.814 0.00 0.00 C ATOM 14883 O4 U A 697 211.159 100.473 -52.323 0.00 0.00 O ATOM 14884 C5 U A 697 212.789 98.909 -51.607 0.00 0.00 C ATOM 14885 C6 U A 697 213.034 97.711 -51.024 0.00 0.00 C ATOM 14886 P G A 698 214.137 92.644 -53.417 0.00 0.00 P ATOM 14887 O1P G A 698 213.695 91.252 -53.690 0.00 0.00 O ATOM 14888 O2P G A 698 215.506 93.077 -53.747 0.00 0.00 O ATOM 14889 O5* G A 698 213.107 93.641 -54.147 0.00 0.00 O ATOM 14890 C5* G A 698 211.743 93.310 -54.290 0.00 0.00 C ATOM 14891 C4* G A 698 210.977 94.459 -54.946 0.00 0.00 C ATOM 14892 O4* G A 698 211.148 95.681 -54.242 0.00 0.00 O ATOM 14893 C3* G A 698 211.392 94.685 -56.396 0.00 0.00 C ATOM 14894 O3* G A 698 210.755 93.709 -57.219 0.00 0.00 O ATOM 14895 C2* G A 698 210.886 96.123 -56.569 0.00 0.00 C ATOM 14896 O2* G A 698 209.482 96.160 -56.799 0.00 0.00 O ATOM 14897 C1* G A 698 211.173 96.738 -55.189 0.00 0.00 C ATOM 14898 N9 G A 698 212.476 97.451 -55.121 0.00 0.00 N ATOM 14899 C8 G A 698 213.650 97.098 -54.500 0.00 0.00 C ATOM 14900 N7 G A 698 214.568 98.028 -54.528 0.00 0.00 N ATOM 14901 C5 G A 698 213.980 99.078 -55.237 0.00 0.00 C ATOM 14902 C6 G A 698 214.462 100.386 -55.617 0.00 0.00 C ATOM 14903 O6 G A 698 215.519 100.965 -55.357 0.00 0.00 O ATOM 14904 N1 G A 698 213.557 101.079 -56.403 0.00 0.00 N ATOM 14905 C2 G A 698 212.306 100.624 -56.704 0.00 0.00 C ATOM 14906 N2 G A 698 211.547 101.345 -57.491 0.00 0.00 N ATOM 14907 N3 G A 698 211.812 99.448 -56.330 0.00 0.00 N ATOM 14908 C4 G A 698 212.703 98.712 -55.612 0.00 0.00 C ATOM 14909 P C A 699 211.424 93.136 -58.542 0.00 0.00 P ATOM 14910 O1P C A 699 210.448 92.173 -59.115 0.00 0.00 O ATOM 14911 O2P C A 699 212.711 92.538 -58.155 0.00 0.00 O ATOM 14912 O5* C A 699 211.589 94.396 -59.519 0.00 0.00 O ATOM 14913 C5* C A 699 210.445 94.968 -60.135 0.00 0.00 C ATOM 14914 C4* C A 699 210.673 96.368 -60.714 0.00 0.00 C ATOM 14915 O4* C A 699 210.946 97.359 -59.731 0.00 0.00 O ATOM 14916 C3* C A 699 211.837 96.435 -61.680 0.00 0.00 C ATOM 14917 O3* C A 699 211.565 95.787 -62.904 0.00 0.00 O ATOM 14918 C2* C A 699 212.017 97.950 -61.773 0.00 0.00 C ATOM 14919 O2* C A 699 210.987 98.587 -62.524 0.00 0.00 O ATOM 14920 C1* C A 699 211.854 98.312 -60.291 0.00 0.00 C ATOM 14921 N1 C A 699 213.170 98.288 -59.581 0.00 0.00 N ATOM 14922 C2 C A 699 213.991 99.420 -59.657 0.00 0.00 C ATOM 14923 O2 C A 699 213.692 100.382 -60.367 0.00 0.00 O ATOM 14924 N3 C A 699 215.153 99.470 -58.957 0.00 0.00 N ATOM 14925 C4 C A 699 215.517 98.419 -58.225 0.00 0.00 C ATOM 14926 N4 C A 699 216.617 98.521 -57.519 0.00 0.00 N ATOM 14927 C5 C A 699 214.738 97.229 -58.150 0.00 0.00 C ATOM 14928 C6 C A 699 213.582 97.196 -58.852 0.00 0.00 C ATOM 14929 P G A 700 212.769 95.145 -63.709 0.00 0.00 P ATOM 14930 O1P G A 700 212.224 94.468 -64.904 0.00 0.00 O ATOM 14931 O2P G A 700 213.503 94.267 -62.775 0.00 0.00 O ATOM 14932 O5* G A 700 213.688 96.385 -64.112 0.00 0.00 O ATOM 14933 C5* G A 700 213.255 97.348 -65.052 0.00 0.00 C ATOM 14934 C4* G A 700 214.331 98.413 -65.266 0.00 0.00 C ATOM 14935 O4* G A 700 214.529 99.273 -64.139 0.00 0.00 O ATOM 14936 C3* G A 700 215.700 97.809 -65.580 0.00 0.00 C ATOM 14937 O3* G A 700 215.764 97.225 -66.877 0.00 0.00 O ATOM 14938 C2* G A 700 216.541 99.067 -65.374 0.00 0.00 C ATOM 14939 O2* G A 700 216.336 99.978 -66.444 0.00 0.00 O ATOM 14940 C1* G A 700 215.913 99.636 -64.088 0.00 0.00 C ATOM 14941 N9 G A 700 216.548 99.070 -62.863 0.00 0.00 N ATOM 14942 C8 G A 700 216.169 97.963 -62.145 0.00 0.00 C ATOM 14943 N7 G A 700 216.930 97.698 -61.120 0.00 0.00 N ATOM 14944 C5 G A 700 217.895 98.708 -61.140 0.00 0.00 C ATOM 14945 C6 G A 700 219.021 98.967 -60.276 0.00 0.00 C ATOM 14946 O6 G A 700 219.416 98.350 -59.292 0.00 0.00 O ATOM 14947 N1 G A 700 219.756 100.084 -60.639 0.00 0.00 N ATOM 14948 C2 G A 700 219.454 100.856 -61.726 0.00 0.00 C ATOM 14949 N2 G A 700 220.204 101.920 -61.932 0.00 0.00 N ATOM 14950 N3 G A 700 218.422 100.641 -62.553 0.00 0.00 N ATOM 14951 C4 G A 700 217.670 99.550 -62.211 0.00 0.00 C ATOM 14952 P U A 701 216.798 96.035 -67.222 0.00 0.00 P ATOM 14953 O1P U A 701 216.292 95.320 -68.423 0.00 0.00 O ATOM 14954 O2P U A 701 217.039 95.281 -65.976 0.00 0.00 O ATOM 14955 O5* U A 701 218.181 96.796 -67.581 0.00 0.00 O ATOM 14956 C5* U A 701 218.415 97.394 -68.846 0.00 0.00 C ATOM 14957 C4* U A 701 219.904 97.488 -69.229 0.00 0.00 C ATOM 14958 O4* U A 701 220.427 98.771 -68.937 0.00 0.00 O ATOM 14959 C3* U A 701 220.847 96.510 -68.499 0.00 0.00 C ATOM 14960 O3* U A 701 220.940 95.189 -69.033 0.00 0.00 O ATOM 14961 C2* U A 701 222.162 97.307 -68.324 0.00 0.00 C ATOM 14962 O2* U A 701 223.336 96.718 -68.864 0.00 0.00 O ATOM 14963 C1* U A 701 221.840 98.663 -68.964 0.00 0.00 C ATOM 14964 N1 U A 701 222.440 99.804 -68.213 0.00 0.00 N ATOM 14965 C2 U A 701 223.592 100.430 -68.705 0.00 0.00 C ATOM 14966 O2 U A 701 224.176 100.066 -69.720 0.00 0.00 O ATOM 14967 N3 U A 701 224.086 101.507 -67.985 0.00 0.00 N ATOM 14968 C4 U A 701 223.555 101.977 -66.800 0.00 0.00 C ATOM 14969 O4 U A 701 224.063 102.943 -66.244 0.00 0.00 O ATOM 14970 C5 U A 701 222.397 101.251 -66.324 0.00 0.00 C ATOM 14971 C6 U A 701 221.874 100.217 -67.028 0.00 0.00 C ATOM 14972 P A A 702 221.145 94.821 -70.594 0.00 0.00 P ATOM 14973 O1P A A 702 221.822 93.510 -70.679 0.00 0.00 O ATOM 14974 O2P A A 702 221.701 95.994 -71.304 0.00 0.00 O ATOM 14975 O5* A A 702 219.638 94.606 -71.125 0.00 0.00 O ATOM 14976 C5* A A 702 219.306 94.867 -72.481 0.00 0.00 C ATOM 14977 C4* A A 702 217.867 94.452 -72.837 0.00 0.00 C ATOM 14978 O4* A A 702 217.826 93.027 -72.954 0.00 0.00 O ATOM 14979 C3* A A 702 216.849 94.898 -71.770 0.00 0.00 C ATOM 14980 O3* A A 702 215.608 95.356 -72.298 0.00 0.00 O ATOM 14981 C2* A A 702 216.665 93.587 -71.004 0.00 0.00 C ATOM 14982 O2* A A 702 215.410 93.414 -70.389 0.00 0.00 O ATOM 14983 C1* A A 702 216.849 92.523 -72.063 0.00 0.00 C ATOM 14984 N9 A A 702 217.237 91.240 -71.434 0.00 0.00 N ATOM 14985 C8 A A 702 218.338 90.957 -70.660 0.00 0.00 C ATOM 14986 N7 A A 702 218.362 89.741 -70.178 0.00 0.00 N ATOM 14987 C5 A A 702 217.170 89.187 -70.653 0.00 0.00 C ATOM 14988 C6 A A 702 216.544 87.924 -70.528 0.00 0.00 C ATOM 14989 N6 A A 702 217.042 86.883 -69.877 0.00 0.00 N ATOM 14990 N1 A A 702 215.360 87.689 -71.099 0.00 0.00 N ATOM 14991 C2 A A 702 214.797 88.675 -71.787 0.00 0.00 C ATOM 14992 N3 A A 702 215.267 89.899 -72.005 0.00 0.00 N ATOM 14993 C4 A A 702 216.473 90.098 -71.403 0.00 0.00 C ATOM 14994 P G A 703 215.348 96.905 -72.639 0.00 0.00 P ATOM 14995 O1P G A 703 213.888 97.151 -72.576 0.00 0.00 O ATOM 14996 O2P G A 703 216.088 97.225 -73.876 0.00 0.00 O ATOM 14997 O5* G A 703 216.069 97.732 -71.449 0.00 0.00 O ATOM 14998 C5* G A 703 215.403 98.217 -70.291 0.00 0.00 C ATOM 14999 C4* G A 703 215.632 99.734 -70.122 0.00 0.00 C ATOM 15000 O4* G A 703 217.012 100.081 -70.007 0.00 0.00 O ATOM 15001 C3* G A 703 215.086 100.539 -71.300 0.00 0.00 C ATOM 15002 O3* G A 703 214.709 101.803 -70.783 0.00 0.00 O ATOM 15003 C2* G A 703 216.313 100.639 -72.212 0.00 0.00 C ATOM 15004 O2* G A 703 216.239 101.721 -73.124 0.00 0.00 O ATOM 15005 C1* G A 703 217.451 100.749 -71.183 0.00 0.00 C ATOM 15006 N9 G A 703 218.734 100.178 -71.670 0.00 0.00 N ATOM 15007 C8 G A 703 218.910 99.042 -72.421 0.00 0.00 C ATOM 15008 N7 G A 703 220.123 98.870 -72.861 0.00 0.00 N ATOM 15009 C5 G A 703 220.828 99.956 -72.347 0.00 0.00 C ATOM 15010 C6 G A 703 222.207 100.341 -72.506 0.00 0.00 C ATOM 15011 O6 G A 703 223.110 99.802 -73.137 0.00 0.00 O ATOM 15012 N1 G A 703 222.534 101.512 -71.852 0.00 0.00 N ATOM 15013 C2 G A 703 221.643 102.223 -71.101 0.00 0.00 C ATOM 15014 N2 G A 703 222.115 103.300 -70.509 0.00 0.00 N ATOM 15015 N3 G A 703 220.356 101.892 -70.910 0.00 0.00 N ATOM 15016 C4 G A 703 219.995 100.749 -71.581 0.00 0.00 C ATOM 15017 P A A 704 213.348 102.531 -71.201 0.00 0.00 P ATOM 15018 O1P A A 704 212.577 101.685 -72.143 0.00 0.00 O ATOM 15019 O2P A A 704 213.670 103.945 -71.519 0.00 0.00 O ATOM 15020 O5* A A 704 212.641 102.468 -69.764 0.00 0.00 O ATOM 15021 C5* A A 704 212.053 101.277 -69.269 0.00 0.00 C ATOM 15022 C4* A A 704 212.134 101.273 -67.741 0.00 0.00 C ATOM 15023 O4* A A 704 213.500 101.256 -67.334 0.00 0.00 O ATOM 15024 C3* A A 704 211.506 102.508 -67.105 0.00 0.00 C ATOM 15025 O3* A A 704 210.090 102.433 -66.965 0.00 0.00 O ATOM 15026 C2* A A 704 212.262 102.535 -65.772 0.00 0.00 C ATOM 15027 O2* A A 704 211.750 101.614 -64.812 0.00 0.00 O ATOM 15028 C1* A A 704 213.667 102.058 -66.172 0.00 0.00 C ATOM 15029 N9 A A 704 214.623 103.183 -66.407 0.00 0.00 N ATOM 15030 C8 A A 704 215.256 103.569 -67.568 0.00 0.00 C ATOM 15031 N7 A A 704 216.061 104.598 -67.435 0.00 0.00 N ATOM 15032 C5 A A 704 215.926 104.947 -66.083 0.00 0.00 C ATOM 15033 C6 A A 704 216.428 105.986 -65.244 0.00 0.00 C ATOM 15034 N6 A A 704 217.229 106.983 -65.579 0.00 0.00 N ATOM 15035 N1 A A 704 216.103 106.044 -63.951 0.00 0.00 N ATOM 15036 C2 A A 704 215.317 105.086 -63.479 0.00 0.00 C ATOM 15037 N3 A A 704 214.771 104.055 -64.119 0.00 0.00 N ATOM 15038 C4 A A 704 215.091 104.058 -65.447 0.00 0.00 C ATOM 15039 P G A 705 209.165 103.684 -67.379 0.00 0.00 P ATOM 15040 O1P G A 705 207.774 103.438 -66.921 0.00 0.00 O ATOM 15041 O2P G A 705 209.422 103.998 -68.793 0.00 0.00 O ATOM 15042 O5* G A 705 209.798 104.841 -66.458 0.00 0.00 O ATOM 15043 C5* G A 705 209.536 104.845 -65.072 0.00 0.00 C ATOM 15044 C4* G A 705 210.314 105.915 -64.315 0.00 0.00 C ATOM 15045 O4* G A 705 211.710 105.668 -64.247 0.00 0.00 O ATOM 15046 C3* G A 705 210.187 107.343 -64.851 0.00 0.00 C ATOM 15047 O3* G A 705 208.882 107.850 -64.701 0.00 0.00 O ATOM 15048 C2* G A 705 211.258 107.987 -63.954 0.00 0.00 C ATOM 15049 O2* G A 705 210.701 108.054 -62.646 0.00 0.00 O ATOM 15050 C1* G A 705 212.363 106.932 -64.211 0.00 0.00 C ATOM 15051 N9 G A 705 213.023 107.145 -65.540 0.00 0.00 N ATOM 15052 C8 G A 705 212.935 106.399 -66.695 0.00 0.00 C ATOM 15053 N7 G A 705 213.700 106.815 -67.666 0.00 0.00 N ATOM 15054 C5 G A 705 214.318 107.950 -67.152 0.00 0.00 C ATOM 15055 C6 G A 705 215.266 108.863 -67.737 0.00 0.00 C ATOM 15056 O6 G A 705 215.781 108.842 -68.854 0.00 0.00 O ATOM 15057 N1 G A 705 215.612 109.904 -66.888 0.00 0.00 N ATOM 15058 C2 G A 705 215.081 110.043 -65.632 0.00 0.00 C ATOM 15059 N2 G A 705 215.454 111.057 -64.897 0.00 0.00 N ATOM 15060 N3 G A 705 214.221 109.208 -65.055 0.00 0.00 N ATOM 15061 C4 G A 705 213.876 108.174 -65.865 0.00 0.00 C ATOM 15062 P A A 706 208.419 109.174 -65.444 0.00 0.00 P ATOM 15063 O1P A A 706 208.352 110.165 -64.348 0.00 0.00 O ATOM 15064 O2P A A 706 207.131 108.753 -66.028 0.00 0.00 O ATOM 15065 O5* A A 706 209.528 109.588 -66.553 0.00 0.00 O ATOM 15066 C5* A A 706 210.628 110.417 -66.196 0.00 0.00 C ATOM 15067 C4* A A 706 211.249 111.208 -67.330 0.00 0.00 C ATOM 15068 O4* A A 706 212.343 110.471 -67.859 0.00 0.00 O ATOM 15069 C3* A A 706 210.319 111.596 -68.464 0.00 0.00 C ATOM 15070 O3* A A 706 209.622 112.794 -68.138 0.00 0.00 O ATOM 15071 C2* A A 706 211.401 111.803 -69.538 0.00 0.00 C ATOM 15072 O2* A A 706 212.055 113.043 -69.396 0.00 0.00 O ATOM 15073 C1* A A 706 212.460 110.751 -69.238 0.00 0.00 C ATOM 15074 N9 A A 706 212.261 109.513 -70.021 0.00 0.00 N ATOM 15075 C8 A A 706 211.792 108.300 -69.586 0.00 0.00 C ATOM 15076 N7 A A 706 211.814 107.364 -70.491 0.00 0.00 N ATOM 15077 C5 A A 706 212.320 108.006 -71.619 0.00 0.00 C ATOM 15078 C6 A A 706 212.587 107.593 -72.943 0.00 0.00 C ATOM 15079 N6 A A 706 212.462 106.341 -73.361 0.00 0.00 N ATOM 15080 N1 A A 706 213.027 108.482 -73.844 0.00 0.00 N ATOM 15081 C2 A A 706 213.239 109.732 -73.439 0.00 0.00 C ATOM 15082 N3 A A 706 213.044 110.254 -72.229 0.00 0.00 N ATOM 15083 C4 A A 706 212.576 109.324 -71.350 0.00 0.00 C ATOM 15084 P U A 707 208.031 112.861 -67.860 0.00 0.00 P ATOM 15085 O1P U A 707 207.766 113.772 -66.723 0.00 0.00 O ATOM 15086 O2P U A 707 207.454 111.506 -67.900 0.00 0.00 O ATOM 15087 O5* U A 707 207.568 113.587 -69.207 0.00 0.00 O ATOM 15088 C5* U A 707 208.072 114.852 -69.571 0.00 0.00 C ATOM 15089 C4* U A 707 208.439 114.856 -71.057 0.00 0.00 C ATOM 15090 O4* U A 707 209.555 114.011 -71.377 0.00 0.00 O ATOM 15091 C3* U A 707 207.290 114.426 -71.962 0.00 0.00 C ATOM 15092 O3* U A 707 206.316 115.449 -72.098 0.00 0.00 O ATOM 15093 C2* U A 707 208.107 114.159 -73.226 0.00 0.00 C ATOM 15094 O2* U A 707 208.554 115.380 -73.797 0.00 0.00 O ATOM 15095 C1* U A 707 209.333 113.425 -72.668 0.00 0.00 C ATOM 15096 N1 U A 707 209.141 111.938 -72.596 0.00 0.00 N ATOM 15097 C2 U A 707 209.444 111.147 -73.721 0.00 0.00 C ATOM 15098 O2 U A 707 209.768 111.613 -74.816 0.00 0.00 O ATOM 15099 N3 U A 707 209.358 109.768 -73.562 0.00 0.00 N ATOM 15100 C4 U A 707 209.054 109.116 -72.392 0.00 0.00 C ATOM 15101 O4 U A 707 208.987 107.900 -72.382 0.00 0.00 O ATOM 15102 C5 U A 707 208.760 109.983 -71.281 0.00 0.00 C ATOM 15103 C6 U A 707 208.769 111.332 -71.415 0.00 0.00 C ATOM 15104 P C A 708 204.836 115.119 -72.621 0.00 0.00 P ATOM 15105 O1P C A 708 204.051 116.373 -72.538 0.00 0.00 O ATOM 15106 O2P C A 708 204.370 113.924 -71.891 0.00 0.00 O ATOM 15107 O5* C A 708 205.055 114.706 -74.165 0.00 0.00 O ATOM 15108 C5* C A 708 205.393 115.646 -75.169 0.00 0.00 C ATOM 15109 C4* C A 708 205.595 114.957 -76.529 0.00 0.00 C ATOM 15110 O4* C A 708 206.726 114.083 -76.530 0.00 0.00 O ATOM 15111 C3* C A 708 204.414 114.102 -76.982 0.00 0.00 C ATOM 15112 O3* C A 708 203.292 114.859 -77.418 0.00 0.00 O ATOM 15113 C2* C A 708 205.119 113.265 -78.064 0.00 0.00 C ATOM 15114 O2* C A 708 205.409 113.996 -79.249 0.00 0.00 O ATOM 15115 C1* C A 708 206.457 112.967 -77.383 0.00 0.00 C ATOM 15116 N1 C A 708 206.419 111.693 -76.603 0.00 0.00 N ATOM 15117 C2 C A 708 206.709 110.480 -77.251 0.00 0.00 C ATOM 15118 O2 C A 708 206.877 110.414 -78.473 0.00 0.00 O ATOM 15119 N3 C A 708 206.809 109.337 -76.520 0.00 0.00 N ATOM 15120 C4 C A 708 206.606 109.376 -75.206 0.00 0.00 C ATOM 15121 N4 C A 708 206.761 108.259 -74.541 0.00 0.00 N ATOM 15122 C5 C A 708 206.272 110.573 -74.513 0.00 0.00 C ATOM 15123 C6 C A 708 206.166 111.701 -75.251 0.00 0.00 C ATOM 15124 P U A 709 201.849 114.171 -77.573 0.00 0.00 P ATOM 15125 O1P U A 709 200.833 115.096 -78.106 0.00 0.00 O ATOM 15126 O2P U A 709 201.466 113.413 -76.369 0.00 0.00 O ATOM 15127 O5* U A 709 202.032 113.058 -78.686 0.00 0.00 O ATOM 15128 C5* U A 709 202.184 113.395 -80.049 0.00 0.00 C ATOM 15129 C4* U A 709 202.367 112.112 -80.856 0.00 0.00 C ATOM 15130 O4* U A 709 203.529 111.391 -80.445 0.00 0.00 O ATOM 15131 C3* U A 709 201.208 111.136 -80.671 0.00 0.00 C ATOM 15132 O3* U A 709 199.980 111.512 -81.292 0.00 0.00 O ATOM 15133 C2* U A 709 201.877 109.871 -81.211 0.00 0.00 C ATOM 15134 O2* U A 709 202.042 109.883 -82.624 0.00 0.00 O ATOM 15135 C1* U A 709 203.268 109.992 -80.573 0.00 0.00 C ATOM 15136 N1 U A 709 203.349 109.257 -79.272 0.00 0.00 N ATOM 15137 C2 U A 709 203.519 107.869 -79.331 0.00 0.00 C ATOM 15138 O2 U A 709 203.532 107.237 -80.384 0.00 0.00 O ATOM 15139 N3 U A 709 203.675 107.209 -78.129 0.00 0.00 N ATOM 15140 C4 U A 709 203.684 107.773 -76.878 0.00 0.00 C ATOM 15141 O4 U A 709 203.864 107.061 -75.894 0.00 0.00 O ATOM 15142 C5 U A 709 203.459 109.205 -76.886 0.00 0.00 C ATOM 15143 C6 U A 709 203.285 109.894 -78.048 0.00 0.00 C ATOM 15144 P G A 710 198.591 110.938 -80.710 0.00 0.00 P ATOM 15145 O1P G A 710 197.430 111.450 -81.473 0.00 0.00 O ATOM 15146 O2P G A 710 198.638 111.142 -79.235 0.00 0.00 O ATOM 15147 O5* G A 710 198.728 109.381 -81.100 0.00 0.00 O ATOM 15148 C5* G A 710 198.713 108.972 -82.471 0.00 0.00 C ATOM 15149 C4* G A 710 198.884 107.459 -82.605 0.00 0.00 C ATOM 15150 O4* G A 710 200.128 107.043 -82.056 0.00 0.00 O ATOM 15151 C3* G A 710 197.791 106.675 -81.886 0.00 0.00 C ATOM 15152 O3* G A 710 196.557 106.640 -82.593 0.00 0.00 O ATOM 15153 C2* G A 710 198.502 105.328 -81.758 0.00 0.00 C ATOM 15154 O2* G A 710 198.557 104.580 -82.966 0.00 0.00 O ATOM 15155 C1* G A 710 199.928 105.783 -81.434 0.00 0.00 C ATOM 15156 N9 G A 710 200.128 105.861 -79.969 0.00 0.00 N ATOM 15157 C8 G A 710 200.195 106.936 -79.121 0.00 0.00 C ATOM 15158 N7 G A 710 200.435 106.615 -77.875 0.00 0.00 N ATOM 15159 C5 G A 710 200.491 105.214 -77.884 0.00 0.00 C ATOM 15160 C6 G A 710 200.705 104.231 -76.846 0.00 0.00 C ATOM 15161 O6 G A 710 200.937 104.370 -75.643 0.00 0.00 O ATOM 15162 N1 G A 710 200.642 102.927 -77.323 0.00 0.00 N ATOM 15163 C2 G A 710 200.415 102.603 -78.633 0.00 0.00 C ATOM 15164 N2 G A 710 200.327 101.344 -78.980 0.00 0.00 N ATOM 15165 N3 G A 710 200.239 103.478 -79.610 0.00 0.00 N ATOM 15166 C4 G A 710 200.286 104.764 -79.171 0.00 0.00 C ATOM 15167 P G A 711 195.170 106.355 -81.833 0.00 0.00 P ATOM 15168 O1P G A 711 194.088 106.352 -82.837 0.00 0.00 O ATOM 15169 O2P G A 711 195.077 107.328 -80.719 0.00 0.00 O ATOM 15170 O5* G A 711 195.332 104.863 -81.253 0.00 0.00 O ATOM 15171 C5* G A 711 195.336 103.750 -82.137 0.00 0.00 C ATOM 15172 C4* G A 711 195.688 102.451 -81.411 0.00 0.00 C ATOM 15173 O4* G A 711 196.942 102.541 -80.747 0.00 0.00 O ATOM 15174 C3* G A 711 194.662 102.055 -80.358 0.00 0.00 C ATOM 15175 O3* G A 711 193.481 101.529 -80.948 0.00 0.00 O ATOM 15176 C2* G A 711 195.508 101.063 -79.553 0.00 0.00 C ATOM 15177 O2* G A 711 195.700 99.809 -80.189 0.00 0.00 O ATOM 15178 C1* G A 711 196.867 101.768 -79.557 0.00 0.00 C ATOM 15179 N9 G A 711 197.036 102.594 -78.340 0.00 0.00 N ATOM 15180 C8 G A 711 196.992 103.953 -78.160 0.00 0.00 C ATOM 15181 N7 G A 711 197.251 104.333 -76.935 0.00 0.00 N ATOM 15182 C5 G A 711 197.494 103.139 -76.246 0.00 0.00 C ATOM 15183 C6 G A 711 197.868 102.856 -74.879 0.00 0.00 C ATOM 15184 O6 G A 711 198.092 103.621 -73.939 0.00 0.00 O ATOM 15185 N1 G A 711 197.971 101.497 -74.621 0.00 0.00 N ATOM 15186 C2 G A 711 197.769 100.524 -75.562 0.00 0.00 C ATOM 15187 N2 G A 711 197.843 99.266 -75.207 0.00 0.00 N ATOM 15188 N3 G A 711 197.454 100.751 -76.830 0.00 0.00 N ATOM 15189 C4 G A 711 197.332 102.077 -77.109 0.00 0.00 C ATOM 15190 P A A 712 192.084 101.497 -80.164 0.00 0.00 P ATOM 15191 O1P A A 712 191.028 101.056 -81.093 0.00 0.00 O ATOM 15192 O2P A A 712 191.924 102.812 -79.497 0.00 0.00 O ATOM 15193 O5* A A 712 192.309 100.377 -79.038 0.00 0.00 O ATOM 15194 C5* A A 712 192.478 99.014 -79.382 0.00 0.00 C ATOM 15195 C4* A A 712 192.871 98.168 -78.162 0.00 0.00 C ATOM 15196 O4* A A 712 194.112 98.589 -77.600 0.00 0.00 O ATOM 15197 C3* A A 712 191.832 98.210 -77.045 0.00 0.00 C ATOM 15198 O3* A A 712 190.747 97.324 -77.277 0.00 0.00 O ATOM 15199 C2* A A 712 192.695 97.844 -75.834 0.00 0.00 C ATOM 15200 O2* A A 712 192.964 96.452 -75.705 0.00 0.00 O ATOM 15201 C1* A A 712 194.011 98.546 -76.180 0.00 0.00 C ATOM 15202 N9 A A 712 194.068 99.917 -75.618 0.00 0.00 N ATOM 15203 C8 A A 712 193.808 101.124 -76.225 0.00 0.00 C ATOM 15204 N7 A A 712 194.050 102.171 -75.482 0.00 0.00 N ATOM 15205 C5 A A 712 194.508 101.601 -74.291 0.00 0.00 C ATOM 15206 C6 A A 712 194.988 102.132 -73.077 0.00 0.00 C ATOM 15207 N6 A A 712 195.158 103.427 -72.882 0.00 0.00 N ATOM 15208 N1 A A 712 195.336 101.325 -72.063 0.00 0.00 N ATOM 15209 C2 A A 712 195.247 100.013 -72.264 0.00 0.00 C ATOM 15210 N3 A A 712 194.847 99.370 -73.359 0.00 0.00 N ATOM 15211 C4 A A 712 194.488 100.234 -74.350 0.00 0.00 C ATOM 15212 P G A 713 189.304 97.615 -76.659 0.00 0.00 P ATOM 15213 O1P G A 713 188.391 96.527 -77.085 0.00 0.00 O ATOM 15214 O2P G A 713 188.923 99.013 -76.947 0.00 0.00 O ATOM 15215 O5* G A 713 189.507 97.482 -75.082 0.00 0.00 O ATOM 15216 C5* G A 713 189.688 96.224 -74.461 0.00 0.00 C ATOM 15217 C4* G A 713 189.987 96.404 -72.976 0.00 0.00 C ATOM 15218 O4* G A 713 191.219 97.095 -72.783 0.00 0.00 O ATOM 15219 C3* G A 713 188.908 97.186 -72.218 0.00 0.00 C ATOM 15220 O3* G A 713 187.704 96.434 -72.030 0.00 0.00 O ATOM 15221 C2* G A 713 189.744 97.519 -70.974 0.00 0.00 C ATOM 15222 O2* G A 713 189.952 96.384 -70.147 0.00 0.00 O ATOM 15223 C1* G A 713 191.102 97.878 -71.599 0.00 0.00 C ATOM 15224 N9 G A 713 191.198 99.319 -71.945 0.00 0.00 N ATOM 15225 C8 G A 713 190.755 99.962 -73.078 0.00 0.00 C ATOM 15226 N7 G A 713 190.938 101.254 -73.080 0.00 0.00 N ATOM 15227 C5 G A 713 191.629 101.474 -71.891 0.00 0.00 C ATOM 15228 C6 G A 713 192.153 102.692 -71.358 0.00 0.00 C ATOM 15229 O6 G A 713 192.040 103.828 -71.835 0.00 0.00 O ATOM 15230 N1 G A 713 192.831 102.502 -70.164 0.00 0.00 N ATOM 15231 C2 G A 713 192.935 101.299 -69.515 0.00 0.00 C ATOM 15232 N2 G A 713 193.628 101.254 -68.390 0.00 0.00 N ATOM 15233 N3 G A 713 192.396 100.161 -69.963 0.00 0.00 N ATOM 15234 C4 G A 713 191.779 100.304 -71.177 0.00 0.00 C ATOM 15235 P G A 714 186.311 97.104 -71.579 0.00 0.00 P ATOM 15236 O1P G A 714 185.195 96.148 -71.836 0.00 0.00 O ATOM 15237 O2P G A 714 186.195 98.448 -72.172 0.00 0.00 O ATOM 15238 O5* G A 714 186.333 97.325 -69.988 0.00 0.00 O ATOM 15239 C5* G A 714 186.681 96.299 -69.069 0.00 0.00 C ATOM 15240 C4* G A 714 187.194 96.903 -67.751 0.00 0.00 C ATOM 15241 O4* G A 714 188.456 97.553 -67.930 0.00 0.00 O ATOM 15242 C3* G A 714 186.253 97.919 -67.090 0.00 0.00 C ATOM 15243 O3* G A 714 185.156 97.302 -66.404 0.00 0.00 O ATOM 15244 C2* G A 714 187.281 98.615 -66.186 0.00 0.00 C ATOM 15245 O2* G A 714 187.517 97.761 -65.070 0.00 0.00 O ATOM 15246 C1* G A 714 188.519 98.709 -67.100 0.00 0.00 C ATOM 15247 N9 G A 714 188.552 99.928 -67.969 0.00 0.00 N ATOM 15248 C8 G A 714 187.949 100.124 -69.192 0.00 0.00 C ATOM 15249 N7 G A 714 188.214 101.266 -69.770 0.00 0.00 N ATOM 15250 C5 G A 714 189.070 101.887 -68.859 0.00 0.00 C ATOM 15251 C6 G A 714 189.713 103.169 -68.920 0.00 0.00 C ATOM 15252 O6 G A 714 189.673 104.020 -69.810 0.00 0.00 O ATOM 15253 N1 G A 714 190.472 103.454 -67.810 0.00 0.00 N ATOM 15254 C2 G A 714 190.629 102.606 -66.760 0.00 0.00 C ATOM 15255 N2 G A 714 191.385 103.055 -65.782 0.00 0.00 N ATOM 15256 N3 G A 714 190.076 101.387 -66.679 0.00 0.00 N ATOM 15257 C4 G A 714 189.288 101.081 -67.758 0.00 0.00 C ATOM 15258 P A A 715 183.839 98.147 -66.001 0.00 0.00 P ATOM 15259 O1P A A 715 182.883 97.303 -65.237 0.00 0.00 O ATOM 15260 O2P A A 715 183.406 98.816 -67.255 0.00 0.00 O ATOM 15261 O5* A A 715 184.368 99.253 -64.972 0.00 0.00 O ATOM 15262 C5* A A 715 184.704 98.942 -63.628 0.00 0.00 C ATOM 15263 C4* A A 715 185.346 100.153 -62.945 0.00 0.00 C ATOM 15264 O4* A A 715 186.515 100.559 -63.651 0.00 0.00 O ATOM 15265 C3* A A 715 184.421 101.369 -62.841 0.00 0.00 C ATOM 15266 O3* A A 715 183.530 101.275 -61.729 0.00 0.00 O ATOM 15267 C2* A A 715 185.481 102.473 -62.739 0.00 0.00 C ATOM 15268 O2* A A 715 186.065 102.554 -61.447 0.00 0.00 O ATOM 15269 C1* A A 715 186.569 101.976 -63.695 0.00 0.00 C ATOM 15270 N9 A A 715 186.391 102.456 -65.094 0.00 0.00 N ATOM 15271 C8 A A 715 185.698 101.882 -66.141 0.00 0.00 C ATOM 15272 N7 A A 715 185.800 102.508 -67.285 0.00 0.00 N ATOM 15273 C5 A A 715 186.588 103.613 -66.951 0.00 0.00 C ATOM 15274 C6 A A 715 187.051 104.731 -67.678 0.00 0.00 C ATOM 15275 N6 A A 715 186.772 104.936 -68.957 0.00 0.00 N ATOM 15276 N1 A A 715 187.786 105.679 -67.085 0.00 0.00 N ATOM 15277 C2 A A 715 188.069 105.525 -65.794 0.00 0.00 C ATOM 15278 N3 A A 715 187.718 104.524 -64.989 0.00 0.00 N ATOM 15279 C4 A A 715 186.955 103.592 -65.630 0.00 0.00 C ATOM 15280 P A A 716 182.162 102.126 -61.644 0.00 0.00 P ATOM 15281 O1P A A 716 181.406 101.671 -60.449 0.00 0.00 O ATOM 15282 O2P A A 716 181.467 102.017 -62.941 0.00 0.00 O ATOM 15283 O5* A A 716 182.663 103.657 -61.452 0.00 0.00 O ATOM 15284 C5* A A 716 183.199 104.151 -60.231 0.00 0.00 C ATOM 15285 C4* A A 716 183.910 105.504 -60.418 0.00 0.00 C ATOM 15286 O4* A A 716 184.991 105.365 -61.335 0.00 0.00 O ATOM 15287 C3* A A 716 183.036 106.647 -60.946 0.00 0.00 C ATOM 15288 O3* A A 716 182.221 107.272 -59.967 0.00 0.00 O ATOM 15289 C2* A A 716 184.117 107.571 -61.516 0.00 0.00 C ATOM 15290 O2* A A 716 184.846 108.324 -60.556 0.00 0.00 O ATOM 15291 C1* A A 716 185.080 106.553 -62.113 0.00 0.00 C ATOM 15292 N9 A A 716 184.716 106.311 -63.526 0.00 0.00 N ATOM 15293 C8 A A 716 183.911 105.346 -64.084 0.00 0.00 C ATOM 15294 N7 A A 716 183.837 105.391 -65.387 0.00 0.00 N ATOM 15295 C5 A A 716 184.598 106.519 -65.698 0.00 0.00 C ATOM 15296 C6 A A 716 184.913 107.192 -66.893 0.00 0.00 C ATOM 15297 N6 A A 716 184.487 106.791 -68.074 0.00 0.00 N ATOM 15298 N1 A A 716 185.621 108.328 -66.878 0.00 0.00 N ATOM 15299 C2 A A 716 186.035 108.783 -65.699 0.00 0.00 C ATOM 15300 N3 A A 716 185.824 108.250 -64.502 0.00 0.00 N ATOM 15301 C4 A A 716 185.098 107.105 -64.572 0.00 0.00 C ATOM 15302 P U A 717 180.919 108.133 -60.382 0.00 0.00 P ATOM 15303 O1P U A 717 180.257 108.596 -59.146 0.00 0.00 O ATOM 15304 O2P U A 717 180.170 107.361 -61.398 0.00 0.00 O ATOM 15305 O5* U A 717 181.483 109.433 -61.138 0.00 0.00 O ATOM 15306 C5* U A 717 182.191 110.446 -60.455 0.00 0.00 C ATOM 15307 C4* U A 717 182.879 111.391 -61.452 0.00 0.00 C ATOM 15308 O4* U A 717 183.473 110.619 -62.497 0.00 0.00 O ATOM 15309 C3* U A 717 181.987 112.462 -62.095 0.00 0.00 C ATOM 15310 O3* U A 717 182.706 113.677 -62.141 0.00 0.00 O ATOM 15311 C2* U A 717 181.796 111.975 -63.529 0.00 0.00 C ATOM 15312 O2* U A 717 181.891 113.003 -64.506 0.00 0.00 O ATOM 15313 C1* U A 717 183.007 111.084 -63.758 0.00 0.00 C ATOM 15314 N1 U A 717 182.656 110.023 -64.748 0.00 0.00 N ATOM 15315 C2 U A 717 182.949 110.263 -66.097 0.00 0.00 C ATOM 15316 O2 U A 717 183.642 111.197 -66.495 0.00 0.00 O ATOM 15317 N3 U A 717 182.451 109.360 -67.013 0.00 0.00 N ATOM 15318 C4 U A 717 181.814 108.176 -66.725 0.00 0.00 C ATOM 15319 O4 U A 717 181.555 107.391 -67.634 0.00 0.00 O ATOM 15320 C5 U A 717 181.557 107.979 -65.313 0.00 0.00 C ATOM 15321 C6 U A 717 181.955 108.890 -64.384 0.00 0.00 C ATOM 15322 P A A 718 182.389 114.894 -61.179 0.00 0.00 P ATOM 15323 O1P A A 718 181.633 114.421 -59.999 0.00 0.00 O ATOM 15324 O2P A A 718 181.886 116.037 -61.987 0.00 0.00 O ATOM 15325 O5* A A 718 183.923 115.141 -60.762 0.00 0.00 O ATOM 15326 C5* A A 718 184.307 116.427 -60.362 0.00 0.00 C ATOM 15327 C4* A A 718 185.798 116.742 -60.523 0.00 0.00 C ATOM 15328 O4* A A 718 186.407 116.239 -61.709 0.00 0.00 O ATOM 15329 C3* A A 718 185.903 118.260 -60.588 0.00 0.00 C ATOM 15330 O3* A A 718 185.911 118.805 -59.286 0.00 0.00 O ATOM 15331 C2* A A 718 187.153 118.484 -61.435 0.00 0.00 C ATOM 15332 O2* A A 718 188.384 118.348 -60.735 0.00 0.00 O ATOM 15333 C1* A A 718 187.053 117.301 -62.400 0.00 0.00 C ATOM 15334 N9 A A 718 186.294 117.557 -63.651 0.00 0.00 N ATOM 15335 C8 A A 718 185.203 116.872 -64.138 0.00 0.00 C ATOM 15336 N7 A A 718 184.890 117.157 -65.374 0.00 0.00 N ATOM 15337 C5 A A 718 185.820 118.139 -65.714 0.00 0.00 C ATOM 15338 C6 A A 718 186.075 118.887 -66.883 0.00 0.00 C ATOM 15339 N6 A A 718 185.424 118.772 -68.028 0.00 0.00 N ATOM 15340 N1 A A 718 187.061 119.777 -66.914 0.00 0.00 N ATOM 15341 C2 A A 718 187.800 119.940 -65.827 0.00 0.00 C ATOM 15342 N3 A A 718 187.708 119.286 -64.671 0.00 0.00 N ATOM 15343 C4 A A 718 186.673 118.398 -64.672 0.00 0.00 C ATOM 15344 P C A 719 184.614 119.553 -58.688 0.00 0.00 P ATOM 15345 O1P C A 719 184.893 119.913 -57.285 0.00 0.00 O ATOM 15346 O2P C A 719 183.369 118.842 -59.073 0.00 0.00 O ATOM 15347 O5* C A 719 184.684 120.834 -59.608 0.00 0.00 O ATOM 15348 C5* C A 719 185.770 121.727 -59.569 0.00 0.00 C ATOM 15349 C4* C A 719 185.648 122.575 -60.826 0.00 0.00 C ATOM 15350 O4* C A 719 185.736 121.776 -62.012 0.00 0.00 O ATOM 15351 C3* C A 719 184.304 123.296 -60.892 0.00 0.00 C ATOM 15352 O3* C A 719 184.288 124.455 -60.070 0.00 0.00 O ATOM 15353 C2* C A 719 184.306 123.604 -62.389 0.00 0.00 C ATOM 15354 O2* C A 719 185.187 124.667 -62.654 0.00 0.00 O ATOM 15355 C1* C A 719 185.004 122.416 -63.055 0.00 0.00 C ATOM 15356 N1 C A 719 184.096 121.491 -63.811 0.00 0.00 N ATOM 15357 C2 C A 719 183.826 121.736 -65.169 0.00 0.00 C ATOM 15358 O2 C A 719 184.192 122.768 -65.724 0.00 0.00 O ATOM 15359 N3 C A 719 183.154 120.834 -65.941 0.00 0.00 N ATOM 15360 C4 C A 719 182.735 119.714 -65.369 0.00 0.00 C ATOM 15361 N4 C A 719 182.123 118.867 -66.175 0.00 0.00 N ATOM 15362 C5 C A 719 182.967 119.416 -63.990 0.00 0.00 C ATOM 15363 C6 C A 719 183.632 120.334 -63.242 0.00 0.00 C ATOM 15364 P C A 720 183.259 124.623 -58.842 0.00 0.00 P ATOM 15365 O1P C A 720 183.687 125.778 -58.033 0.00 0.00 O ATOM 15366 O2P C A 720 183.005 123.303 -58.218 0.00 0.00 O ATOM 15367 O5* C A 720 181.920 124.998 -59.623 0.00 0.00 O ATOM 15368 C5* C A 720 181.789 126.060 -60.540 0.00 0.00 C ATOM 15369 C4* C A 720 180.635 125.731 -61.495 0.00 0.00 C ATOM 15370 O4* C A 720 180.920 124.621 -62.348 0.00 0.00 O ATOM 15371 C3* C A 720 179.372 125.364 -60.722 0.00 0.00 C ATOM 15372 O3* C A 720 178.766 126.523 -60.168 0.00 0.00 O ATOM 15373 C2* C A 720 178.610 124.592 -61.800 0.00 0.00 C ATOM 15374 O2* C A 720 178.006 125.454 -62.758 0.00 0.00 O ATOM 15375 C1* C A 720 179.743 123.829 -62.510 0.00 0.00 C ATOM 15376 N1 C A 720 180.001 122.440 -62.000 0.00 0.00 N ATOM 15377 C2 C A 720 179.619 121.327 -62.776 0.00 0.00 C ATOM 15378 O2 C A 720 178.957 121.456 -63.807 0.00 0.00 O ATOM 15379 N3 C A 720 180.026 120.071 -62.432 0.00 0.00 N ATOM 15380 C4 C A 720 180.782 119.913 -61.352 0.00 0.00 C ATOM 15381 N4 C A 720 181.260 118.729 -61.061 0.00 0.00 N ATOM 15382 C5 C A 720 181.177 121.002 -60.532 0.00 0.00 C ATOM 15383 C6 C A 720 180.767 122.240 -60.877 0.00 0.00 C ATOM 15384 P G A 721 177.724 126.407 -58.952 0.00 0.00 P ATOM 15385 O1P G A 721 176.556 125.648 -59.443 0.00 0.00 O ATOM 15386 O2P G A 721 177.547 127.764 -58.374 0.00 0.00 O ATOM 15387 O5* G A 721 178.540 125.464 -57.908 0.00 0.00 O ATOM 15388 C5* G A 721 178.230 125.395 -56.522 0.00 0.00 C ATOM 15389 C4* G A 721 178.698 124.073 -55.877 0.00 0.00 C ATOM 15390 O4* G A 721 177.911 123.022 -56.435 0.00 0.00 O ATOM 15391 C3* G A 721 180.188 123.729 -56.053 0.00 0.00 C ATOM 15392 O3* G A 721 180.759 123.247 -54.834 0.00 0.00 O ATOM 15393 C2* G A 721 180.088 122.633 -57.127 0.00 0.00 C ATOM 15394 O2* G A 721 181.047 121.610 -57.037 0.00 0.00 O ATOM 15395 C1* G A 721 178.741 121.982 -56.911 0.00 0.00 C ATOM 15396 N9 G A 721 178.210 121.396 -58.170 0.00 0.00 N ATOM 15397 C8 G A 721 177.568 122.056 -59.185 0.00 0.00 C ATOM 15398 N7 G A 721 177.230 121.298 -60.193 0.00 0.00 N ATOM 15399 C5 G A 721 177.680 120.026 -59.827 0.00 0.00 C ATOM 15400 C6 G A 721 177.584 118.751 -60.497 0.00 0.00 C ATOM 15401 O6 G A 721 177.016 118.459 -61.548 0.00 0.00 O ATOM 15402 N1 G A 721 178.215 117.716 -59.822 0.00 0.00 N ATOM 15403 C2 G A 721 178.827 117.885 -58.610 0.00 0.00 C ATOM 15404 N2 G A 721 179.384 116.831 -58.051 0.00 0.00 N ATOM 15405 N3 G A 721 178.852 119.029 -57.922 0.00 0.00 N ATOM 15406 C4 G A 721 178.290 120.081 -58.590 0.00 0.00 C ATOM 15407 P G A 722 181.470 124.229 -53.757 0.00 0.00 P ATOM 15408 O1P G A 722 182.152 125.331 -54.466 0.00 0.00 O ATOM 15409 O2P G A 722 182.208 123.409 -52.768 0.00 0.00 O ATOM 15410 O5* G A 722 180.224 124.869 -52.986 0.00 0.00 O ATOM 15411 C5* G A 722 179.434 124.079 -52.124 0.00 0.00 C ATOM 15412 C4* G A 722 178.162 124.846 -51.778 0.00 0.00 C ATOM 15413 O4* G A 722 177.474 125.178 -52.975 0.00 0.00 O ATOM 15414 C3* G A 722 177.223 123.997 -50.924 0.00 0.00 C ATOM 15415 O3* G A 722 177.462 124.185 -49.530 0.00 0.00 O ATOM 15416 C2* G A 722 175.841 124.474 -51.411 0.00 0.00 C ATOM 15417 O2* G A 722 175.313 125.568 -50.685 0.00 0.00 O ATOM 15418 C1* G A 722 176.082 125.012 -52.826 0.00 0.00 C ATOM 15419 N9 G A 722 175.565 124.148 -53.920 0.00 0.00 N ATOM 15420 C8 G A 722 174.699 124.495 -54.928 0.00 0.00 C ATOM 15421 N7 G A 722 174.449 123.542 -55.783 0.00 0.00 N ATOM 15422 C5 G A 722 175.217 122.471 -55.319 0.00 0.00 C ATOM 15423 C6 G A 722 175.418 121.144 -55.842 0.00 0.00 C ATOM 15424 O6 G A 722 174.958 120.619 -56.857 0.00 0.00 O ATOM 15425 N1 G A 722 176.264 120.372 -55.060 0.00 0.00 N ATOM 15426 C2 G A 722 176.888 120.827 -53.943 0.00 0.00 C ATOM 15427 N2 G A 722 177.710 119.987 -53.357 0.00 0.00 N ATOM 15428 N3 G A 722 176.736 122.048 -53.437 0.00 0.00 N ATOM 15429 C4 G A 722 175.887 122.831 -54.166 0.00 0.00 C ATOM 15430 P U A 723 178.224 123.100 -48.613 0.00 0.00 P ATOM 15431 O1P U A 723 179.433 123.725 -48.021 0.00 0.00 O ATOM 15432 O2P U A 723 178.311 121.795 -49.291 0.00 0.00 O ATOM 15433 O5* U A 723 177.246 122.922 -47.338 0.00 0.00 O ATOM 15434 C5* U A 723 175.841 123.070 -47.461 0.00 0.00 C ATOM 15435 C4* U A 723 175.349 124.396 -46.856 0.00 0.00 C ATOM 15436 O4* U A 723 176.324 125.449 -46.932 0.00 0.00 O ATOM 15437 C3* U A 723 174.117 124.941 -47.573 0.00 0.00 C ATOM 15438 O3* U A 723 172.858 124.388 -47.243 0.00 0.00 O ATOM 15439 C2* U A 723 174.174 126.393 -47.107 0.00 0.00 C ATOM 15440 O2* U A 723 173.824 126.601 -45.743 0.00 0.00 O ATOM 15441 C1* U A 723 175.674 126.712 -47.164 0.00 0.00 C ATOM 15442 N1 U A 723 176.182 127.401 -48.402 0.00 0.00 N ATOM 15443 C2 U A 723 175.449 128.446 -49.002 0.00 0.00 C ATOM 15444 O2 U A 723 174.416 128.920 -48.544 0.00 0.00 O ATOM 15445 N3 U A 723 175.963 129.014 -50.153 0.00 0.00 N ATOM 15446 C4 U A 723 177.216 128.768 -50.669 0.00 0.00 C ATOM 15447 O4 U A 723 177.582 129.359 -51.676 0.00 0.00 O ATOM 15448 C5 U A 723 177.993 127.817 -49.905 0.00 0.00 C ATOM 15449 C6 U A 723 177.469 127.159 -48.838 0.00 0.00 C ATOM 15450 P G A 724 172.225 123.135 -48.034 0.00 0.00 P ATOM 15451 O1P G A 724 170.801 123.058 -47.647 0.00 0.00 O ATOM 15452 O2P G A 724 173.125 121.966 -47.841 0.00 0.00 O ATOM 15453 O5* G A 724 172.315 123.592 -49.591 0.00 0.00 O ATOM 15454 C5* G A 724 171.626 124.731 -50.096 0.00 0.00 C ATOM 15455 C4* G A 724 171.268 124.567 -51.582 0.00 0.00 C ATOM 15456 O4* G A 724 172.398 124.232 -52.394 0.00 0.00 O ATOM 15457 C3* G A 724 170.222 123.482 -51.816 0.00 0.00 C ATOM 15458 O3* G A 724 168.897 123.899 -51.529 0.00 0.00 O ATOM 15459 C2* G A 724 170.460 123.199 -53.300 0.00 0.00 C ATOM 15460 O2* G A 724 169.956 124.202 -54.175 0.00 0.00 O ATOM 15461 C1* G A 724 171.981 123.275 -53.373 0.00 0.00 C ATOM 15462 N9 G A 724 172.589 121.945 -53.121 0.00 0.00 N ATOM 15463 C8 G A 724 173.326 121.527 -52.042 0.00 0.00 C ATOM 15464 N7 G A 724 173.788 120.312 -52.145 0.00 0.00 N ATOM 15465 C5 G A 724 173.297 119.869 -53.376 0.00 0.00 C ATOM 15466 C6 G A 724 173.447 118.614 -54.063 0.00 0.00 C ATOM 15467 O6 G A 724 174.074 117.606 -53.737 0.00 0.00 O ATOM 15468 N1 G A 724 172.772 118.571 -55.269 0.00 0.00 N ATOM 15469 C2 G A 724 172.041 119.606 -55.778 0.00 0.00 C ATOM 15470 N2 G A 724 171.405 119.423 -56.920 0.00 0.00 N ATOM 15471 N3 G A 724 171.900 120.789 -55.177 0.00 0.00 N ATOM 15472 C4 G A 724 172.550 120.863 -53.974 0.00 0.00 C ATOM 15473 P G A 725 167.747 122.819 -51.221 0.00 0.00 P ATOM 15474 O1P G A 725 166.479 123.550 -50.990 0.00 0.00 O ATOM 15475 O2P G A 725 168.269 121.885 -50.209 0.00 0.00 O ATOM 15476 O5* G A 725 167.636 121.990 -52.586 0.00 0.00 O ATOM 15477 C5* G A 725 167.017 122.527 -53.729 0.00 0.00 C ATOM 15478 C4* G A 725 167.063 121.488 -54.843 0.00 0.00 C ATOM 15479 O4* G A 725 168.391 121.037 -55.134 0.00 0.00 O ATOM 15480 C3* G A 725 166.241 120.238 -54.522 0.00 0.00 C ATOM 15481 O3* G A 725 164.841 120.437 -54.661 0.00 0.00 O ATOM 15482 C2* G A 725 166.845 119.326 -55.587 0.00 0.00 C ATOM 15483 O2* G A 725 166.435 119.750 -56.878 0.00 0.00 O ATOM 15484 C1* G A 725 168.335 119.647 -55.462 0.00 0.00 C ATOM 15485 N9 G A 725 169.036 118.815 -54.441 0.00 0.00 N ATOM 15486 C8 G A 725 169.550 119.176 -53.219 0.00 0.00 C ATOM 15487 N7 G A 725 170.211 118.228 -52.608 0.00 0.00 N ATOM 15488 C5 G A 725 170.113 117.131 -53.467 0.00 0.00 C ATOM 15489 C6 G A 725 170.595 115.774 -53.356 0.00 0.00 C ATOM 15490 O6 G A 725 171.247 115.223 -52.467 0.00 0.00 O ATOM 15491 N1 G A 725 170.210 114.982 -54.419 0.00 0.00 N ATOM 15492 C2 G A 725 169.484 115.435 -55.479 0.00 0.00 C ATOM 15493 N2 G A 725 169.114 114.537 -56.352 0.00 0.00 N ATOM 15494 N3 G A 725 169.059 116.688 -55.639 0.00 0.00 N ATOM 15495 C4 G A 725 169.390 117.491 -54.588 0.00 0.00 C ATOM 15496 P C A 726 163.781 119.431 -53.988 0.00 0.00 P ATOM 15497 O1P C A 726 162.420 119.873 -54.355 0.00 0.00 O ATOM 15498 O2P C A 726 164.145 119.266 -52.566 0.00 0.00 O ATOM 15499 O5* C A 726 164.057 118.038 -54.725 0.00 0.00 O ATOM 15500 C5* C A 726 163.667 117.812 -56.065 0.00 0.00 C ATOM 15501 C4* C A 726 163.898 116.348 -56.446 0.00 0.00 C ATOM 15502 O4* C A 726 165.267 115.963 -56.440 0.00 0.00 O ATOM 15503 C3* C A 726 163.186 115.382 -55.505 0.00 0.00 C ATOM 15504 O3* C A 726 161.805 115.342 -55.789 0.00 0.00 O ATOM 15505 C2* C A 726 163.924 114.098 -55.877 0.00 0.00 C ATOM 15506 O2* C A 726 163.449 113.625 -57.142 0.00 0.00 O ATOM 15507 C1* C A 726 165.374 114.619 -55.970 0.00 0.00 C ATOM 15508 N1 C A 726 166.110 114.593 -54.653 0.00 0.00 N ATOM 15509 C2 C A 726 166.736 113.412 -54.201 0.00 0.00 C ATOM 15510 O2 C A 726 166.657 112.352 -54.829 0.00 0.00 O ATOM 15511 N3 C A 726 167.466 113.424 -53.046 0.00 0.00 N ATOM 15512 C4 C A 726 167.576 114.553 -52.350 0.00 0.00 C ATOM 15513 N4 C A 726 168.310 114.551 -51.260 0.00 0.00 N ATOM 15514 C5 C A 726 166.985 115.771 -52.774 0.00 0.00 C ATOM 15515 C6 C A 726 166.261 115.749 -53.915 0.00 0.00 C ATOM 15516 P G A 727 160.736 114.886 -54.705 0.00 0.00 P ATOM 15517 O1P G A 727 159.443 114.949 -55.414 0.00 0.00 O ATOM 15518 O2P G A 727 160.946 115.679 -53.475 0.00 0.00 O ATOM 15519 O5* G A 727 161.100 113.360 -54.345 0.00 0.00 O ATOM 15520 C5* G A 727 160.754 112.298 -55.210 0.00 0.00 C ATOM 15521 C4* G A 727 161.346 110.957 -54.756 0.00 0.00 C ATOM 15522 O4* G A 727 162.768 111.035 -54.761 0.00 0.00 O ATOM 15523 C3* G A 727 160.900 110.454 -53.378 0.00 0.00 C ATOM 15524 O3* G A 727 159.633 109.786 -53.395 0.00 0.00 O ATOM 15525 C2* G A 727 162.071 109.496 -53.100 0.00 0.00 C ATOM 15526 O2* G A 727 161.983 108.268 -53.818 0.00 0.00 O ATOM 15527 C1* G A 727 163.271 110.233 -53.704 0.00 0.00 C ATOM 15528 N9 G A 727 163.999 111.043 -52.699 0.00 0.00 N ATOM 15529 C8 G A 727 163.897 112.374 -52.386 0.00 0.00 C ATOM 15530 N7 G A 727 164.628 112.744 -51.367 0.00 0.00 N ATOM 15531 C5 G A 727 165.248 111.558 -50.948 0.00 0.00 C ATOM 15532 C6 G A 727 166.087 111.253 -49.812 0.00 0.00 C ATOM 15533 O6 G A 727 166.502 111.995 -48.910 0.00 0.00 O ATOM 15534 N1 G A 727 166.427 109.906 -49.756 0.00 0.00 N ATOM 15535 C2 G A 727 166.018 108.976 -50.670 0.00 0.00 C ATOM 15536 N2 G A 727 166.422 107.755 -50.450 0.00 0.00 N ATOM 15537 N3 G A 727 165.290 109.226 -51.751 0.00 0.00 N ATOM 15538 C4 G A 727 164.906 110.533 -51.810 0.00 0.00 C ATOM 15539 P A A 728 158.470 110.119 -52.325 0.00 0.00 P ATOM 15540 O1P A A 728 157.402 109.089 -52.465 0.00 0.00 O ATOM 15541 O2P A A 728 158.142 111.556 -52.420 0.00 0.00 O ATOM 15542 O5* A A 728 159.235 109.827 -50.943 0.00 0.00 O ATOM 15543 C5* A A 728 158.595 109.889 -49.679 0.00 0.00 C ATOM 15544 C4* A A 728 159.101 108.772 -48.756 0.00 0.00 C ATOM 15545 O4* A A 728 158.574 107.499 -49.129 0.00 0.00 O ATOM 15546 C3* A A 728 160.624 108.632 -48.744 0.00 0.00 C ATOM 15547 O3* A A 728 161.276 109.583 -47.918 0.00 0.00 O ATOM 15548 C2* A A 728 160.746 107.207 -48.226 0.00 0.00 C ATOM 15549 O2* A A 728 160.486 107.165 -46.830 0.00 0.00 O ATOM 15550 C1* A A 728 159.597 106.524 -48.968 0.00 0.00 C ATOM 15551 N9 A A 728 159.974 106.001 -50.298 0.00 0.00 N ATOM 15552 C8 A A 728 159.946 106.630 -51.521 0.00 0.00 C ATOM 15553 N7 A A 728 160.192 105.846 -52.537 0.00 0.00 N ATOM 15554 C5 A A 728 160.389 104.602 -51.930 0.00 0.00 C ATOM 15555 C6 A A 728 160.630 103.299 -52.419 0.00 0.00 C ATOM 15556 N6 A A 728 160.732 102.983 -53.702 0.00 0.00 N ATOM 15557 N1 A A 728 160.710 102.264 -51.580 0.00 0.00 N ATOM 15558 C2 A A 728 160.598 102.507 -50.277 0.00 0.00 C ATOM 15559 N3 A A 728 160.383 103.671 -49.663 0.00 0.00 N ATOM 15560 C4 A A 728 160.272 104.689 -50.567 0.00 0.00 C ATOM 15561 P A A 729 162.833 109.885 -48.127 0.00 0.00 P ATOM 15562 O1P A A 729 163.213 110.960 -47.177 0.00 0.00 O ATOM 15563 O2P A A 729 163.020 110.073 -49.576 0.00 0.00 O ATOM 15564 O5* A A 729 163.575 108.519 -47.697 0.00 0.00 O ATOM 15565 C5* A A 729 163.731 108.174 -46.332 0.00 0.00 C ATOM 15566 C4* A A 729 164.150 106.710 -46.149 0.00 0.00 C ATOM 15567 O4* A A 729 163.225 105.809 -46.752 0.00 0.00 O ATOM 15568 C3* A A 729 165.499 106.355 -46.758 0.00 0.00 C ATOM 15569 O3* A A 729 166.608 106.871 -46.038 0.00 0.00 O ATOM 15570 C2* A A 729 165.369 104.822 -46.758 0.00 0.00 C ATOM 15571 O2* A A 729 165.484 104.227 -45.468 0.00 0.00 O ATOM 15572 C1* A A 729 163.917 104.655 -47.213 0.00 0.00 C ATOM 15573 N9 A A 729 163.824 104.525 -48.694 0.00 0.00 N ATOM 15574 C8 A A 729 163.714 105.515 -49.645 0.00 0.00 C ATOM 15575 N7 A A 729 163.670 105.080 -50.876 0.00 0.00 N ATOM 15576 C5 A A 729 163.812 103.698 -50.735 0.00 0.00 C ATOM 15577 C6 A A 729 163.911 102.618 -51.647 0.00 0.00 C ATOM 15578 N6 A A 729 163.883 102.742 -52.965 0.00 0.00 N ATOM 15579 N1 A A 729 164.027 101.356 -51.215 0.00 0.00 N ATOM 15580 C2 A A 729 164.073 101.170 -49.898 0.00 0.00 C ATOM 15581 N3 A A 729 164.015 102.080 -48.921 0.00 0.00 N ATOM 15582 C4 A A 729 163.884 103.347 -49.411 0.00 0.00 C ATOM 15583 P G A 730 167.975 107.249 -46.796 0.00 0.00 P ATOM 15584 O1P G A 730 168.912 107.856 -45.827 0.00 0.00 O ATOM 15585 O2P G A 730 167.615 107.968 -48.044 0.00 0.00 O ATOM 15586 O5* G A 730 168.530 105.802 -47.205 0.00 0.00 O ATOM 15587 C5* G A 730 168.935 104.857 -46.229 0.00 0.00 C ATOM 15588 C4* G A 730 169.195 103.500 -46.889 0.00 0.00 C ATOM 15589 O4* G A 730 168.028 103.015 -47.573 0.00 0.00 O ATOM 15590 C3* G A 730 170.321 103.525 -47.924 0.00 0.00 C ATOM 15591 O3* G A 730 171.653 103.385 -47.429 0.00 0.00 O ATOM 15592 C2* G A 730 169.913 102.274 -48.713 0.00 0.00 C ATOM 15593 O2* G A 730 170.172 101.081 -47.966 0.00 0.00 O ATOM 15594 C1* G A 730 168.394 102.416 -48.822 0.00 0.00 C ATOM 15595 N9 G A 730 167.930 103.247 -49.984 0.00 0.00 N ATOM 15596 C8 G A 730 167.349 104.490 -49.919 0.00 0.00 C ATOM 15597 N7 G A 730 166.954 104.972 -51.063 0.00 0.00 N ATOM 15598 C5 G A 730 167.340 104.008 -51.988 0.00 0.00 C ATOM 15599 C6 G A 730 167.270 104.028 -53.427 0.00 0.00 C ATOM 15600 O6 G A 730 166.810 104.891 -54.175 0.00 0.00 O ATOM 15601 N1 G A 730 167.844 102.922 -54.031 0.00 0.00 N ATOM 15602 C2 G A 730 168.366 101.881 -53.322 0.00 0.00 C ATOM 15603 N2 G A 730 168.807 100.882 -54.060 0.00 0.00 N ATOM 15604 N3 G A 730 168.438 101.829 -51.978 0.00 0.00 N ATOM 15605 C4 G A 730 167.933 102.938 -51.346 0.00 0.00 C ATOM 15606 P G A 731 172.756 104.559 -47.506 0.00 0.00 P ATOM 15607 O1P G A 731 174.100 103.942 -47.459 0.00 0.00 O ATOM 15608 O2P G A 731 172.403 105.602 -46.514 0.00 0.00 O ATOM 15609 O5* G A 731 172.576 105.167 -48.980 0.00 0.00 O ATOM 15610 C5* G A 731 172.860 104.361 -50.107 0.00 0.00 C ATOM 15611 C4* G A 731 171.887 104.614 -51.262 0.00 0.00 C ATOM 15612 O4* G A 731 170.599 105.030 -50.822 0.00 0.00 O ATOM 15613 C3* G A 731 172.378 105.650 -52.270 0.00 0.00 C ATOM 15614 O3* G A 731 173.368 105.082 -53.114 0.00 0.00 O ATOM 15615 C2* G A 731 171.033 105.981 -52.933 0.00 0.00 C ATOM 15616 O2* G A 731 170.532 104.953 -53.781 0.00 0.00 O ATOM 15617 C1* G A 731 170.129 106.042 -51.695 0.00 0.00 C ATOM 15618 N9 G A 731 170.162 107.383 -51.061 0.00 0.00 N ATOM 15619 C8 G A 731 170.687 107.816 -49.867 0.00 0.00 C ATOM 15620 N7 G A 731 170.547 109.102 -49.658 0.00 0.00 N ATOM 15621 C5 G A 731 169.812 109.546 -50.764 0.00 0.00 C ATOM 15622 C6 G A 731 169.282 110.838 -51.129 0.00 0.00 C ATOM 15623 O6 G A 731 169.355 111.923 -50.547 0.00 0.00 O ATOM 15624 N1 G A 731 168.597 110.817 -52.335 0.00 0.00 N ATOM 15625 C2 G A 731 168.455 109.703 -53.115 0.00 0.00 C ATOM 15626 N2 G A 731 167.823 109.794 -54.256 0.00 0.00 N ATOM 15627 N3 G A 731 168.941 108.508 -52.815 0.00 0.00 N ATOM 15628 C4 G A 731 169.594 108.491 -51.622 0.00 0.00 C ATOM 15629 P C A 732 174.386 105.952 -53.999 0.00 0.00 P ATOM 15630 O1P C A 732 175.223 105.011 -54.763 0.00 0.00 O ATOM 15631 O2P C A 732 175.068 106.946 -53.127 0.00 0.00 O ATOM 15632 O5* C A 732 173.475 106.785 -55.019 0.00 0.00 O ATOM 15633 C5* C A 732 172.748 106.187 -56.088 0.00 0.00 C ATOM 15634 C4* C A 732 171.985 107.255 -56.899 0.00 0.00 C ATOM 15635 O4* C A 732 171.010 107.941 -56.126 0.00 0.00 O ATOM 15636 C3* C A 732 172.935 108.313 -57.443 0.00 0.00 C ATOM 15637 O3* C A 732 173.504 107.847 -58.651 0.00 0.00 O ATOM 15638 C2* C A 732 172.098 109.595 -57.518 0.00 0.00 C ATOM 15639 O2* C A 732 171.447 109.878 -58.746 0.00 0.00 O ATOM 15640 C1* C A 732 171.024 109.334 -56.445 0.00 0.00 C ATOM 15641 N1 C A 732 171.285 110.123 -55.210 0.00 0.00 N ATOM 15642 C2 C A 732 170.808 111.440 -55.114 0.00 0.00 C ATOM 15643 O2 C A 732 170.112 111.952 -55.993 0.00 0.00 O ATOM 15644 N3 C A 732 171.114 112.186 -54.017 0.00 0.00 N ATOM 15645 C4 C A 732 171.820 111.633 -53.034 0.00 0.00 C ATOM 15646 N4 C A 732 172.078 112.361 -51.977 0.00 0.00 N ATOM 15647 C5 C A 732 172.265 110.281 -53.055 0.00 0.00 C ATOM 15648 C6 C A 732 171.983 109.565 -54.165 0.00 0.00 C ATOM 15649 P G A 733 175.005 108.220 -59.066 0.00 0.00 P ATOM 15650 O1P G A 733 175.539 107.133 -59.913 0.00 0.00 O ATOM 15651 O2P G A 733 175.739 108.666 -57.857 0.00 0.00 O ATOM 15652 O5* G A 733 174.764 109.485 -60.004 0.00 0.00 O ATOM 15653 C5* G A 733 175.851 110.131 -60.618 0.00 0.00 C ATOM 15654 C4* G A 733 175.476 111.599 -60.700 0.00 0.00 C ATOM 15655 O4* G A 733 175.506 112.181 -59.416 0.00 0.00 O ATOM 15656 C3* G A 733 176.453 112.425 -61.520 0.00 0.00 C ATOM 15657 O3* G A 733 176.124 112.305 -62.897 0.00 0.00 O ATOM 15658 C2* G A 733 176.214 113.831 -60.949 0.00 0.00 C ATOM 15659 O2* G A 733 175.346 114.602 -61.772 0.00 0.00 O ATOM 15660 C1* G A 733 175.508 113.571 -59.610 0.00 0.00 C ATOM 15661 N9 G A 733 176.093 114.257 -58.437 0.00 0.00 N ATOM 15662 C8 G A 733 176.758 113.748 -57.349 0.00 0.00 C ATOM 15663 N7 G A 733 177.026 114.632 -56.423 0.00 0.00 N ATOM 15664 C5 G A 733 176.473 115.818 -56.919 0.00 0.00 C ATOM 15665 C6 G A 733 176.406 117.158 -56.387 0.00 0.00 C ATOM 15666 O6 G A 733 176.882 117.644 -55.359 0.00 0.00 O ATOM 15667 N1 G A 733 175.692 118.015 -57.207 0.00 0.00 N ATOM 15668 C2 G A 733 175.180 117.673 -58.418 0.00 0.00 C ATOM 15669 N2 G A 733 174.591 118.632 -59.086 0.00 0.00 N ATOM 15670 N3 G A 733 175.267 116.468 -58.971 0.00 0.00 N ATOM 15671 C4 G A 733 175.908 115.581 -58.157 0.00 0.00 C ATOM 15672 P G A 734 177.012 111.461 -63.920 0.00 0.00 P ATOM 15673 O1P G A 734 176.137 110.513 -64.641 0.00 0.00 O ATOM 15674 O2P G A 734 178.189 110.861 -63.266 0.00 0.00 O ATOM 15675 O5* G A 734 177.508 112.584 -64.936 0.00 0.00 O ATOM 15676 C5* G A 734 178.166 113.759 -64.490 0.00 0.00 C ATOM 15677 C4* G A 734 178.795 114.487 -65.678 0.00 0.00 C ATOM 15678 O4* G A 734 179.899 113.741 -66.173 0.00 0.00 O ATOM 15679 C3* G A 734 177.807 114.722 -66.824 0.00 0.00 C ATOM 15680 O3* G A 734 177.161 115.981 -66.691 0.00 0.00 O ATOM 15681 C2* G A 734 178.750 114.637 -68.022 0.00 0.00 C ATOM 15682 O2* G A 734 179.488 115.830 -68.229 0.00 0.00 O ATOM 15683 C1* G A 734 179.777 113.594 -67.579 0.00 0.00 C ATOM 15684 N9 G A 734 179.403 112.196 -67.890 0.00 0.00 N ATOM 15685 C8 G A 734 179.213 111.154 -67.017 0.00 0.00 C ATOM 15686 N7 G A 734 178.996 110.003 -67.583 0.00 0.00 N ATOM 15687 C5 G A 734 179.092 110.289 -68.947 0.00 0.00 C ATOM 15688 C6 G A 734 178.996 109.436 -70.098 0.00 0.00 C ATOM 15689 O6 G A 734 178.786 108.229 -70.197 0.00 0.00 O ATOM 15690 N1 G A 734 179.182 110.123 -71.273 0.00 0.00 N ATOM 15691 C2 G A 734 179.424 111.455 -71.381 0.00 0.00 C ATOM 15692 N2 G A 734 179.569 111.895 -72.614 0.00 0.00 N ATOM 15693 N3 G A 734 179.510 112.293 -70.343 0.00 0.00 N ATOM 15694 C4 G A 734 179.339 111.638 -69.145 0.00 0.00 C ATOM 15695 P C A 735 175.582 116.161 -66.913 0.00 0.00 P ATOM 15696 O1P C A 735 175.284 117.558 -66.543 0.00 0.00 O ATOM 15697 O2P C A 735 174.893 115.044 -66.224 0.00 0.00 O ATOM 15698 O5* C A 735 175.339 115.979 -68.487 0.00 0.00 O ATOM 15699 C5* C A 735 175.825 116.909 -69.434 0.00 0.00 C ATOM 15700 C4* C A 735 175.822 116.295 -70.834 0.00 0.00 C ATOM 15701 O4* C A 735 176.697 115.165 -70.838 0.00 0.00 O ATOM 15702 C3* C A 735 174.478 115.821 -71.380 0.00 0.00 C ATOM 15703 O3* C A 735 173.733 116.896 -71.959 0.00 0.00 O ATOM 15704 C2* C A 735 174.975 114.764 -72.388 0.00 0.00 C ATOM 15705 O2* C A 735 175.470 115.342 -73.589 0.00 0.00 O ATOM 15706 C1* C A 735 176.198 114.149 -71.703 0.00 0.00 C ATOM 15707 N1 C A 735 175.938 112.880 -70.953 0.00 0.00 N ATOM 15708 C2 C A 735 175.923 111.656 -71.647 0.00 0.00 C ATOM 15709 O2 C A 735 175.995 111.605 -72.878 0.00 0.00 O ATOM 15710 N3 C A 735 175.824 110.486 -70.955 0.00 0.00 N ATOM 15711 C4 C A 735 175.745 110.519 -69.630 0.00 0.00 C ATOM 15712 N4 C A 735 175.625 109.379 -68.996 0.00 0.00 N ATOM 15713 C5 C A 735 175.751 111.728 -68.883 0.00 0.00 C ATOM 15714 C6 C A 735 175.848 112.883 -69.580 0.00 0.00 C ATOM 15715 P C A 736 172.145 116.785 -72.196 0.00 0.00 P ATOM 15716 O1P C A 736 171.660 118.013 -72.901 0.00 0.00 O ATOM 15717 O2P C A 736 171.535 116.385 -70.913 0.00 0.00 O ATOM 15718 O5* C A 736 172.023 115.537 -73.195 0.00 0.00 O ATOM 15719 C5* C A 736 172.345 115.654 -74.565 0.00 0.00 C ATOM 15720 C4* C A 736 172.037 114.343 -75.300 0.00 0.00 C ATOM 15721 O4* C A 736 173.049 113.369 -75.056 0.00 0.00 O ATOM 15722 C3* C A 736 170.708 113.641 -74.966 0.00 0.00 C ATOM 15723 O3* C A 736 169.598 114.383 -75.440 0.00 0.00 O ATOM 15724 C2* C A 736 171.026 112.303 -75.669 0.00 0.00 C ATOM 15725 O2* C A 736 171.145 112.364 -77.081 0.00 0.00 O ATOM 15726 C1* C A 736 172.451 112.078 -75.179 0.00 0.00 C ATOM 15727 N1 C A 736 172.439 111.351 -73.878 0.00 0.00 N ATOM 15728 C2 C A 736 172.318 109.957 -73.882 0.00 0.00 C ATOM 15729 O2 C A 736 172.109 109.325 -74.917 0.00 0.00 O ATOM 15730 N3 C A 736 172.419 109.272 -72.714 0.00 0.00 N ATOM 15731 C4 C A 736 172.600 109.937 -71.580 0.00 0.00 C ATOM 15732 N4 C A 736 172.697 109.218 -70.489 0.00 0.00 N ATOM 15733 C5 C A 736 172.622 111.360 -71.511 0.00 0.00 C ATOM 15734 C6 C A 736 172.512 112.026 -72.684 0.00 0.00 C ATOM 15735 P C A 737 168.136 114.435 -74.745 0.00 0.00 P ATOM 15736 O1P C A 737 167.481 115.740 -74.958 0.00 0.00 O ATOM 15737 O2P C A 737 168.140 113.876 -73.378 0.00 0.00 O ATOM 15738 O5* C A 737 167.317 113.396 -75.597 0.00 0.00 O ATOM 15739 C5* C A 737 167.394 113.281 -77.001 0.00 0.00 C ATOM 15740 C4* C A 737 167.141 111.804 -77.302 0.00 0.00 C ATOM 15741 O4* C A 737 168.229 110.975 -76.891 0.00 0.00 O ATOM 15742 C3* C A 737 165.869 111.312 -76.580 0.00 0.00 C ATOM 15743 O3* C A 737 164.683 111.709 -77.286 0.00 0.00 O ATOM 15744 C2* C A 737 166.193 109.822 -76.532 0.00 0.00 C ATOM 15745 O2* C A 737 165.839 109.331 -77.786 0.00 0.00 O ATOM 15746 C1* C A 737 167.716 109.756 -76.350 0.00 0.00 C ATOM 15747 N1 C A 737 168.111 109.612 -74.912 0.00 0.00 N ATOM 15748 C2 C A 737 168.195 108.340 -74.314 0.00 0.00 C ATOM 15749 O2 C A 737 167.829 107.310 -74.882 0.00 0.00 O ATOM 15750 N3 C A 737 168.668 108.225 -73.042 0.00 0.00 N ATOM 15751 C4 C A 737 169.034 109.313 -72.370 0.00 0.00 C ATOM 15752 N4 C A 737 169.451 109.167 -71.135 0.00 0.00 N ATOM 15753 C5 C A 737 168.936 110.618 -72.919 0.00 0.00 C ATOM 15754 C6 C A 737 168.455 110.720 -74.177 0.00 0.00 C ATOM 15755 P C A 738 163.227 111.698 -76.601 0.00 0.00 P ATOM 15756 O1P C A 738 162.207 112.193 -77.574 0.00 0.00 O ATOM 15757 O2P C A 738 163.377 112.378 -75.286 0.00 0.00 O ATOM 15758 O5* C A 738 162.911 110.156 -76.308 0.00 0.00 O ATOM 15759 C5* C A 738 162.676 109.212 -77.341 0.00 0.00 C ATOM 15760 C4* C A 738 162.707 107.769 -76.816 0.00 0.00 C ATOM 15761 O4* C A 738 163.959 107.390 -76.245 0.00 0.00 O ATOM 15762 C3* C A 738 161.658 107.538 -75.738 0.00 0.00 C ATOM 15763 O3* C A 738 160.355 107.429 -76.302 0.00 0.00 O ATOM 15764 C2* C A 738 162.232 106.269 -75.084 0.00 0.00 C ATOM 15765 O2* C A 738 162.003 105.088 -75.846 0.00 0.00 O ATOM 15766 C1* C A 738 163.739 106.553 -75.110 0.00 0.00 C ATOM 15767 N1 C A 738 164.238 107.212 -73.860 0.00 0.00 N ATOM 15768 C2 C A 738 164.664 106.429 -72.772 0.00 0.00 C ATOM 15769 O2 C A 738 164.415 105.221 -72.696 0.00 0.00 O ATOM 15770 N3 C A 738 165.338 107.014 -71.742 0.00 0.00 N ATOM 15771 C4 C A 738 165.580 108.324 -71.781 0.00 0.00 C ATOM 15772 N4 C A 738 166.217 108.878 -70.776 0.00 0.00 N ATOM 15773 C5 C A 738 165.074 109.171 -72.805 0.00 0.00 C ATOM 15774 C6 C A 738 164.383 108.578 -73.804 0.00 0.00 C ATOM 15775 P C A 739 159.040 107.855 -75.483 0.00 0.00 P ATOM 15776 O1P C A 739 157.850 107.514 -76.287 0.00 0.00 O ATOM 15777 O2P C A 739 159.202 109.270 -75.051 0.00 0.00 O ATOM 15778 O5* C A 739 159.122 106.841 -74.226 0.00 0.00 O ATOM 15779 C5* C A 739 158.866 105.450 -74.418 0.00 0.00 C ATOM 15780 C4* C A 739 159.187 104.585 -73.189 0.00 0.00 C ATOM 15781 O4* C A 739 160.574 104.610 -72.861 0.00 0.00 O ATOM 15782 C3* C A 739 158.456 105.028 -71.934 0.00 0.00 C ATOM 15783 O3* C A 739 157.101 104.623 -71.880 0.00 0.00 O ATOM 15784 C2* C A 739 159.340 104.404 -70.851 0.00 0.00 C ATOM 15785 O2* C A 739 159.254 103.006 -70.649 0.00 0.00 O ATOM 15786 C1* C A 739 160.734 104.582 -71.447 0.00 0.00 C ATOM 15787 N1 C A 739 161.377 105.793 -70.877 0.00 0.00 N ATOM 15788 C2 C A 739 161.942 105.708 -69.595 0.00 0.00 C ATOM 15789 O2 C A 739 161.798 104.694 -68.898 0.00 0.00 O ATOM 15790 N3 C A 739 162.637 106.766 -69.095 0.00 0.00 N ATOM 15791 C4 C A 739 162.741 107.872 -69.830 0.00 0.00 C ATOM 15792 N4 C A 739 163.389 108.894 -69.327 0.00 0.00 N ATOM 15793 C5 C A 739 162.101 108.029 -71.094 0.00 0.00 C ATOM 15794 C6 C A 739 161.411 106.972 -71.574 0.00 0.00 C ATOM 15795 P U A 740 156.001 105.591 -71.231 0.00 0.00 P ATOM 15796 O1P U A 740 154.677 104.943 -71.324 0.00 0.00 O ATOM 15797 O2P U A 740 156.183 106.931 -71.818 0.00 0.00 O ATOM 15798 O5* U A 740 156.459 105.666 -69.700 0.00 0.00 O ATOM 15799 C5* U A 740 156.319 104.547 -68.857 0.00 0.00 C ATOM 15800 C4* U A 740 157.007 104.798 -67.520 0.00 0.00 C ATOM 15801 O4* U A 740 158.415 104.938 -67.682 0.00 0.00 O ATOM 15802 C3* U A 740 156.551 106.051 -66.770 0.00 0.00 C ATOM 15803 O3* U A 740 155.246 105.972 -66.220 0.00 0.00 O ATOM 15804 C2* U A 740 157.690 106.080 -65.747 0.00 0.00 C ATOM 15805 O2* U A 740 157.624 105.027 -64.798 0.00 0.00 O ATOM 15806 C1* U A 740 158.897 105.764 -66.631 0.00 0.00 C ATOM 15807 N1 U A 740 159.534 107.024 -67.102 0.00 0.00 N ATOM 15808 C2 U A 740 160.348 107.683 -66.181 0.00 0.00 C ATOM 15809 O2 U A 740 160.572 107.244 -65.054 0.00 0.00 O ATOM 15810 N3 U A 740 160.881 108.892 -66.569 0.00 0.00 N ATOM 15811 C4 U A 740 160.659 109.537 -67.762 0.00 0.00 C ATOM 15812 O4 U A 740 161.157 110.649 -67.948 0.00 0.00 O ATOM 15813 C5 U A 740 159.799 108.798 -68.674 0.00 0.00 C ATOM 15814 C6 U A 740 159.267 107.591 -68.330 0.00 0.00 C ATOM 15815 P G A 741 154.601 107.182 -65.371 0.00 0.00 P ATOM 15816 O1P G A 741 153.172 106.941 -65.101 0.00 0.00 O ATOM 15817 O2P G A 741 154.969 108.509 -65.902 0.00 0.00 O ATOM 15818 O5* G A 741 155.307 107.152 -63.944 0.00 0.00 O ATOM 15819 C5* G A 741 155.100 106.063 -63.071 0.00 0.00 C ATOM 15820 C4* G A 741 155.772 106.282 -61.720 0.00 0.00 C ATOM 15821 O4* G A 741 157.185 106.390 -61.826 0.00 0.00 O ATOM 15822 C3* G A 741 155.319 107.577 -61.074 0.00 0.00 C ATOM 15823 O3* G A 741 153.991 107.543 -60.590 0.00 0.00 O ATOM 15824 C2* G A 741 156.427 107.735 -60.032 0.00 0.00 C ATOM 15825 O2* G A 741 156.335 106.848 -58.921 0.00 0.00 O ATOM 15826 C1* G A 741 157.643 107.337 -60.866 0.00 0.00 C ATOM 15827 N9 G A 741 158.165 108.532 -61.559 0.00 0.00 N ATOM 15828 C8 G A 741 157.971 108.908 -62.864 0.00 0.00 C ATOM 15829 N7 G A 741 158.493 110.059 -63.171 0.00 0.00 N ATOM 15830 C5 G A 741 159.091 110.477 -61.981 0.00 0.00 C ATOM 15831 C6 G A 741 159.851 111.651 -61.676 0.00 0.00 C ATOM 15832 O6 G A 741 160.132 112.600 -62.399 0.00 0.00 O ATOM 15833 N1 G A 741 160.334 111.676 -60.379 0.00 0.00 N ATOM 15834 C2 G A 741 160.050 110.722 -59.445 0.00 0.00 C ATOM 15835 N2 G A 741 160.524 110.921 -58.231 0.00 0.00 N ATOM 15836 N3 G A 741 159.330 109.623 -59.687 0.00 0.00 N ATOM 15837 C4 G A 741 158.892 109.548 -60.983 0.00 0.00 C ATOM 15838 P G A 742 153.127 108.895 -60.525 0.00 0.00 P ATOM 15839 O1P G A 742 151.823 108.597 -59.902 0.00 0.00 O ATOM 15840 O2P G A 742 153.200 109.545 -61.860 0.00 0.00 O ATOM 15841 O5* G A 742 154.011 109.744 -59.481 0.00 0.00 O ATOM 15842 C5* G A 742 154.193 109.250 -58.172 0.00 0.00 C ATOM 15843 C4* G A 742 155.270 109.975 -57.342 0.00 0.00 C ATOM 15844 O4* G A 742 156.550 110.120 -57.926 0.00 0.00 O ATOM 15845 C3* G A 742 154.777 111.330 -56.870 0.00 0.00 C ATOM 15846 O3* G A 742 153.893 111.120 -55.779 0.00 0.00 O ATOM 15847 C2* G A 742 156.131 111.935 -56.493 0.00 0.00 C ATOM 15848 O2* G A 742 156.611 111.343 -55.288 0.00 0.00 O ATOM 15849 C1* G A 742 157.025 111.418 -57.624 0.00 0.00 C ATOM 15850 N9 G A 742 156.945 112.191 -58.886 0.00 0.00 N ATOM 15851 C8 G A 742 156.359 111.825 -60.075 0.00 0.00 C ATOM 15852 N7 G A 742 156.514 112.681 -61.043 0.00 0.00 N ATOM 15853 C5 G A 742 157.258 113.701 -60.461 0.00 0.00 C ATOM 15854 C6 G A 742 157.765 114.924 -61.014 0.00 0.00 C ATOM 15855 O6 G A 742 157.684 115.369 -62.162 0.00 0.00 O ATOM 15856 N1 G A 742 158.447 115.677 -60.081 0.00 0.00 N ATOM 15857 C2 G A 742 158.664 115.314 -58.794 0.00 0.00 C ATOM 15858 N2 G A 742 159.444 116.098 -58.092 0.00 0.00 N ATOM 15859 N3 G A 742 158.303 114.137 -58.285 0.00 0.00 N ATOM 15860 C4 G A 742 157.552 113.394 -59.148 0.00 0.00 C ATOM 15861 P A A 743 152.801 112.206 -55.348 0.00 0.00 P ATOM 15862 O1P A A 743 152.293 111.754 -54.037 0.00 0.00 O ATOM 15863 O2P A A 743 151.862 112.358 -56.483 0.00 0.00 O ATOM 15864 O5* A A 743 153.571 113.614 -55.211 0.00 0.00 O ATOM 15865 C5* A A 743 154.463 113.956 -54.162 0.00 0.00 C ATOM 15866 C4* A A 743 155.186 115.275 -54.506 0.00 0.00 C ATOM 15867 O4* A A 743 156.016 115.129 -55.646 0.00 0.00 O ATOM 15868 C3* A A 743 154.246 116.436 -54.818 0.00 0.00 C ATOM 15869 O3* A A 743 153.783 117.038 -53.624 0.00 0.00 O ATOM 15870 C2* A A 743 155.128 117.323 -55.702 0.00 0.00 C ATOM 15871 O2* A A 743 156.083 118.095 -54.991 0.00 0.00 O ATOM 15872 C1* A A 743 155.905 116.269 -56.478 0.00 0.00 C ATOM 15873 N9 A A 743 155.231 115.933 -57.754 0.00 0.00 N ATOM 15874 C8 A A 743 154.384 114.897 -58.077 0.00 0.00 C ATOM 15875 N7 A A 743 154.003 114.885 -59.328 0.00 0.00 N ATOM 15876 C5 A A 743 154.664 115.991 -59.872 0.00 0.00 C ATOM 15877 C6 A A 743 154.762 116.561 -61.161 0.00 0.00 C ATOM 15878 N6 A A 743 154.199 116.080 -62.257 0.00 0.00 N ATOM 15879 N1 A A 743 155.503 117.653 -61.366 0.00 0.00 N ATOM 15880 C2 A A 743 156.139 118.182 -60.331 0.00 0.00 C ATOM 15881 N3 A A 743 156.154 117.757 -59.075 0.00 0.00 N ATOM 15882 C4 A A 743 155.389 116.644 -58.913 0.00 0.00 C ATOM 15883 P C A 744 152.500 117.981 -53.609 0.00 0.00 P ATOM 15884 O1P C A 744 152.096 118.076 -52.189 0.00 0.00 O ATOM 15885 O2P C A 744 151.545 117.398 -54.568 0.00 0.00 O ATOM 15886 O5* C A 744 153.004 119.401 -54.139 0.00 0.00 O ATOM 15887 C5* C A 744 153.912 120.199 -53.405 0.00 0.00 C ATOM 15888 C4* C A 744 154.391 121.394 -54.245 0.00 0.00 C ATOM 15889 O4* C A 744 155.049 120.975 -55.443 0.00 0.00 O ATOM 15890 C3* C A 744 153.263 122.327 -54.674 0.00 0.00 C ATOM 15891 O3* C A 744 152.832 123.180 -53.623 0.00 0.00 O ATOM 15892 C2* C A 744 153.938 123.038 -55.855 0.00 0.00 C ATOM 15893 O2* C A 744 154.878 124.044 -55.489 0.00 0.00 O ATOM 15894 C1* C A 744 154.719 121.886 -56.499 0.00 0.00 C ATOM 15895 N1 C A 744 153.939 121.214 -57.587 0.00 0.00 N ATOM 15896 C2 C A 744 153.944 121.758 -58.884 0.00 0.00 C ATOM 15897 O2 C A 744 154.425 122.871 -59.119 0.00 0.00 O ATOM 15898 N3 C A 744 153.398 121.057 -59.915 0.00 0.00 N ATOM 15899 C4 C A 744 152.813 119.888 -59.666 0.00 0.00 C ATOM 15900 N4 C A 744 152.280 119.242 -60.676 0.00 0.00 N ATOM 15901 C5 C A 744 152.722 119.328 -58.363 0.00 0.00 C ATOM 15902 C6 C A 744 153.279 120.031 -57.351 0.00 0.00 C ATOM 15903 P G A 745 151.371 123.855 -53.641 0.00 0.00 P ATOM 15904 O1P G A 745 151.185 124.685 -52.425 0.00 0.00 O ATOM 15905 O2P G A 745 150.398 122.802 -53.990 0.00 0.00 O ATOM 15906 O5* G A 745 151.494 124.854 -54.880 0.00 0.00 O ATOM 15907 C5* G A 745 152.213 126.063 -54.741 0.00 0.00 C ATOM 15908 C4* G A 745 152.310 126.785 -56.079 0.00 0.00 C ATOM 15909 O4* G A 745 152.847 125.930 -57.083 0.00 0.00 O ATOM 15910 C3* G A 745 150.941 127.254 -56.559 0.00 0.00 C ATOM 15911 O3* G A 745 150.571 128.493 -55.972 0.00 0.00 O ATOM 15912 C2* G A 745 151.155 127.291 -58.073 0.00 0.00 C ATOM 15913 O2* G A 745 151.870 128.406 -58.586 0.00 0.00 O ATOM 15914 C1* G A 745 152.077 126.091 -58.264 0.00 0.00 C ATOM 15915 N9 G A 745 151.306 124.887 -58.657 0.00 0.00 N ATOM 15916 C8 G A 745 150.977 123.735 -57.986 0.00 0.00 C ATOM 15917 N7 G A 745 150.434 122.817 -58.746 0.00 0.00 N ATOM 15918 C5 G A 745 150.315 123.433 -59.997 0.00 0.00 C ATOM 15919 C6 G A 745 149.764 122.997 -61.259 0.00 0.00 C ATOM 15920 O6 G A 745 149.293 121.908 -61.593 0.00 0.00 O ATOM 15921 N1 G A 745 149.762 123.999 -62.219 0.00 0.00 N ATOM 15922 C2 G A 745 150.256 125.256 -62.011 0.00 0.00 C ATOM 15923 N2 G A 745 150.136 126.158 -62.949 0.00 0.00 N ATOM 15924 N3 G A 745 150.821 125.668 -60.888 0.00 0.00 N ATOM 15925 C4 G A 745 150.808 124.716 -59.917 0.00 0.00 C ATOM 15926 P A A 746 149.027 128.831 -55.659 0.00 0.00 P ATOM 15927 O1P A A 746 149.010 130.036 -54.804 0.00 0.00 O ATOM 15928 O2P A A 746 148.337 127.591 -55.252 0.00 0.00 O ATOM 15929 O5* A A 746 148.529 129.219 -57.131 0.00 0.00 O ATOM 15930 C5* A A 746 148.863 130.453 -57.730 0.00 0.00 C ATOM 15931 C4* A A 746 148.346 130.490 -59.172 0.00 0.00 C ATOM 15932 O4* A A 746 148.891 129.416 -59.935 0.00 0.00 O ATOM 15933 C3* A A 746 146.827 130.377 -59.269 0.00 0.00 C ATOM 15934 O3* A A 746 146.166 131.608 -59.038 0.00 0.00 O ATOM 15935 C2* A A 746 146.678 129.861 -60.702 0.00 0.00 C ATOM 15936 O2* A A 746 146.870 130.850 -61.705 0.00 0.00 O ATOM 15937 C1* A A 746 147.873 128.917 -60.797 0.00 0.00 C ATOM 15938 N9 A A 746 147.495 127.533 -60.433 0.00 0.00 N ATOM 15939 C8 A A 746 147.623 126.866 -59.235 0.00 0.00 C ATOM 15940 N7 A A 746 147.329 125.596 -59.298 0.00 0.00 N ATOM 15941 C5 A A 746 146.906 125.435 -60.615 0.00 0.00 C ATOM 15942 C6 A A 746 146.429 124.341 -61.359 0.00 0.00 C ATOM 15943 N6 A A 746 146.353 123.115 -60.875 0.00 0.00 N ATOM 15944 N1 A A 746 146.053 124.493 -62.634 0.00 0.00 N ATOM 15945 C2 A A 746 146.181 125.699 -63.180 0.00 0.00 C ATOM 15946 N3 A A 746 146.640 126.813 -62.615 0.00 0.00 N ATOM 15947 C4 A A 746 146.979 126.611 -61.310 0.00 0.00 C ATOM 15948 P A A 747 144.656 131.635 -58.500 0.00 0.00 P ATOM 15949 O1P A A 747 144.256 133.051 -58.358 0.00 0.00 O ATOM 15950 O2P A A 747 144.584 130.718 -57.348 0.00 0.00 O ATOM 15951 O5* A A 747 143.840 130.982 -59.725 0.00 0.00 O ATOM 15952 C5* A A 747 143.595 131.711 -60.914 0.00 0.00 C ATOM 15953 C4* A A 747 142.779 130.877 -61.909 0.00 0.00 C ATOM 15954 O4* A A 747 143.458 129.681 -62.270 0.00 0.00 O ATOM 15955 C3* A A 747 141.410 130.487 -61.361 0.00 0.00 C ATOM 15956 O3* A A 747 140.497 131.560 -61.542 0.00 0.00 O ATOM 15957 C2* A A 747 141.109 129.232 -62.191 0.00 0.00 C ATOM 15958 O2* A A 747 140.594 129.507 -63.488 0.00 0.00 O ATOM 15959 C1* A A 747 142.503 128.635 -62.402 0.00 0.00 C ATOM 15960 N9 A A 747 142.815 127.545 -61.447 0.00 0.00 N ATOM 15961 C8 A A 747 143.403 127.614 -60.206 0.00 0.00 C ATOM 15962 N7 A A 747 143.620 126.452 -59.650 0.00 0.00 N ATOM 15963 C5 A A 747 143.123 125.547 -60.589 0.00 0.00 C ATOM 15964 C6 A A 747 143.012 124.139 -60.642 0.00 0.00 C ATOM 15965 N6 A A 747 143.378 123.306 -59.679 0.00 0.00 N ATOM 15966 N1 A A 747 142.472 123.542 -61.701 0.00 0.00 N ATOM 15967 C2 A A 747 142.022 124.306 -62.692 0.00 0.00 C ATOM 15968 N3 A A 747 142.053 125.636 -62.782 0.00 0.00 N ATOM 15969 C4 A A 747 142.622 126.204 -61.682 0.00 0.00 C ATOM 15970 P G A 748 139.224 131.761 -60.590 0.00 0.00 P ATOM 15971 O1P G A 748 138.604 133.063 -60.909 0.00 0.00 O ATOM 15972 O2P G A 748 139.644 131.470 -59.202 0.00 0.00 O ATOM 15973 O5* G A 748 138.206 130.610 -61.066 0.00 0.00 O ATOM 15974 C5* G A 748 137.312 130.017 -60.144 0.00 0.00 C ATOM 15975 C4* G A 748 137.452 128.491 -60.174 0.00 0.00 C ATOM 15976 O4* G A 748 138.812 128.103 -60.069 0.00 0.00 O ATOM 15977 C3* G A 748 136.787 127.896 -58.938 0.00 0.00 C ATOM 15978 O3* G A 748 135.366 127.928 -58.987 0.00 0.00 O ATOM 15979 C2* G A 748 137.587 126.611 -58.659 0.00 0.00 C ATOM 15980 O2* G A 748 137.208 125.451 -59.361 0.00 0.00 O ATOM 15981 C1* G A 748 138.957 126.948 -59.258 0.00 0.00 C ATOM 15982 N9 G A 748 140.022 127.198 -58.260 0.00 0.00 N ATOM 15983 C8 G A 748 140.520 128.407 -57.846 0.00 0.00 C ATOM 15984 N7 G A 748 141.505 128.315 -56.999 0.00 0.00 N ATOM 15985 C5 G A 748 141.704 126.942 -56.850 0.00 0.00 C ATOM 15986 C6 G A 748 142.642 126.200 -56.047 0.00 0.00 C ATOM 15987 O6 G A 748 143.500 126.594 -55.267 0.00 0.00 O ATOM 15988 N1 G A 748 142.511 124.827 -56.160 0.00 0.00 N ATOM 15989 C2 G A 748 141.563 124.234 -56.944 0.00 0.00 C ATOM 15990 N2 G A 748 141.490 122.920 -56.895 0.00 0.00 N ATOM 15991 N3 G A 748 140.679 124.885 -57.706 0.00 0.00 N ATOM 15992 C4 G A 748 140.795 126.247 -57.620 0.00 0.00 C ATOM 15993 P A A 749 134.416 126.939 -59.839 0.00 0.00 P ATOM 15994 O1P A A 749 133.170 127.696 -60.090 0.00 0.00 O ATOM 15995 O2P A A 749 134.376 125.659 -59.107 0.00 0.00 O ATOM 15996 O5* A A 749 135.134 126.688 -61.272 0.00 0.00 O ATOM 15997 C5* A A 749 134.415 126.653 -62.501 0.00 0.00 C ATOM 15998 C4* A A 749 134.666 125.354 -63.284 0.00 0.00 C ATOM 15999 O4* A A 749 136.037 125.228 -63.652 0.00 0.00 O ATOM 16000 C3* A A 749 134.277 124.081 -62.532 0.00 0.00 C ATOM 16001 O3* A A 749 132.888 123.803 -62.636 0.00 0.00 O ATOM 16002 C2* A A 749 135.157 123.054 -63.254 0.00 0.00 C ATOM 16003 O2* A A 749 134.622 122.561 -64.475 0.00 0.00 O ATOM 16004 C1* A A 749 136.399 123.852 -63.647 0.00 0.00 C ATOM 16005 N9 A A 749 137.522 123.616 -62.713 0.00 0.00 N ATOM 16006 C8 A A 749 138.225 124.545 -61.990 0.00 0.00 C ATOM 16007 N7 A A 749 139.162 124.044 -61.235 0.00 0.00 N ATOM 16008 C5 A A 749 139.042 122.672 -61.449 0.00 0.00 C ATOM 16009 C6 A A 749 139.661 121.543 -60.879 0.00 0.00 C ATOM 16010 N6 A A 749 140.583 121.641 -59.937 0.00 0.00 N ATOM 16011 N1 A A 749 139.303 120.306 -61.248 0.00 0.00 N ATOM 16012 C2 A A 749 138.381 120.193 -62.200 0.00 0.00 C ATOM 16013 N3 A A 749 137.711 121.160 -62.823 0.00 0.00 N ATOM 16014 C4 A A 749 138.077 122.398 -62.379 0.00 0.00 C ATOM 16015 P C A 750 132.131 122.800 -61.624 0.00 0.00 P ATOM 16016 O1P C A 750 130.685 122.880 -61.916 0.00 0.00 O ATOM 16017 O2P C A 750 132.640 123.046 -60.264 0.00 0.00 O ATOM 16018 O5* C A 750 132.643 121.335 -62.031 0.00 0.00 O ATOM 16019 C5* C A 750 132.165 120.618 -63.146 0.00 0.00 C ATOM 16020 C4* C A 750 132.789 119.208 -63.156 0.00 0.00 C ATOM 16021 O4* C A 750 134.222 119.233 -63.097 0.00 0.00 O ATOM 16022 C3* C A 750 132.351 118.340 -61.978 0.00 0.00 C ATOM 16023 O3* C A 750 131.078 117.743 -62.140 0.00 0.00 O ATOM 16024 C2* C A 750 133.495 117.322 -61.940 0.00 0.00 C ATOM 16025 O2* C A 750 133.548 116.422 -63.040 0.00 0.00 O ATOM 16026 C1* C A 750 134.693 118.238 -62.165 0.00 0.00 C ATOM 16027 N1 C A 750 135.255 118.833 -60.906 0.00 0.00 N ATOM 16028 C2 C A 750 135.922 118.022 -59.963 0.00 0.00 C ATOM 16029 O2 C A 750 135.888 116.791 -60.013 0.00 0.00 O ATOM 16030 N3 C A 750 136.614 118.586 -58.933 0.00 0.00 N ATOM 16031 C4 C A 750 136.631 119.911 -58.820 0.00 0.00 C ATOM 16032 N4 C A 750 137.308 120.445 -57.831 0.00 0.00 N ATOM 16033 C5 C A 750 135.935 120.769 -59.713 0.00 0.00 C ATOM 16034 C6 C A 750 135.254 120.194 -60.729 0.00 0.00 C ATOM 16035 P U A 751 130.128 117.483 -60.864 0.00 0.00 P ATOM 16036 O1P U A 751 128.802 117.058 -61.353 0.00 0.00 O ATOM 16037 O2P U A 751 130.251 118.639 -59.955 0.00 0.00 O ATOM 16038 O5* U A 751 130.829 116.227 -60.154 0.00 0.00 O ATOM 16039 C5* U A 751 130.678 114.918 -60.668 0.00 0.00 C ATOM 16040 C4* U A 751 131.452 113.921 -59.804 0.00 0.00 C ATOM 16041 O4* U A 751 132.803 114.347 -59.642 0.00 0.00 O ATOM 16042 C3* U A 751 130.872 113.719 -58.411 0.00 0.00 C ATOM 16043 O3* U A 751 129.803 112.783 -58.409 0.00 0.00 O ATOM 16044 C2* U A 751 132.118 113.182 -57.697 0.00 0.00 C ATOM 16045 O2* U A 751 132.386 111.808 -57.986 0.00 0.00 O ATOM 16046 C1* U A 751 133.238 114.014 -58.329 0.00 0.00 C ATOM 16047 N1 U A 751 133.595 115.205 -57.497 0.00 0.00 N ATOM 16048 C2 U A 751 134.312 114.967 -56.319 0.00 0.00 C ATOM 16049 O2 U A 751 134.540 113.840 -55.886 0.00 0.00 O ATOM 16050 N3 U A 751 134.787 116.068 -55.636 0.00 0.00 N ATOM 16051 C4 U A 751 134.661 117.378 -56.026 0.00 0.00 C ATOM 16052 O4 U A 751 135.229 118.250 -55.376 0.00 0.00 O ATOM 16053 C5 U A 751 133.843 117.561 -57.207 0.00 0.00 C ATOM 16054 C6 U A 751 133.338 116.501 -57.896 0.00 0.00 C ATOM 16055 P G A 752 128.560 112.922 -57.408 0.00 0.00 P ATOM 16056 O1P G A 752 127.840 111.629 -57.389 0.00 0.00 O ATOM 16057 O2P G A 752 127.846 114.169 -57.736 0.00 0.00 O ATOM 16058 O5* G A 752 129.278 113.144 -55.993 0.00 0.00 O ATOM 16059 C5* G A 752 129.943 112.112 -55.294 0.00 0.00 C ATOM 16060 C4* G A 752 130.604 112.653 -54.007 0.00 0.00 C ATOM 16061 O4* G A 752 131.388 113.830 -54.262 0.00 0.00 O ATOM 16062 C3* G A 752 129.578 113.043 -52.939 0.00 0.00 C ATOM 16063 O3* G A 752 130.200 112.890 -51.666 0.00 0.00 O ATOM 16064 C2* G A 752 129.347 114.502 -53.329 0.00 0.00 C ATOM 16065 O2* G A 752 128.611 115.267 -52.402 0.00 0.00 O ATOM 16066 C1* G A 752 130.808 114.917 -53.539 0.00 0.00 C ATOM 16067 N9 G A 752 130.950 116.206 -54.253 0.00 0.00 N ATOM 16068 C8 G A 752 130.222 116.636 -55.331 0.00 0.00 C ATOM 16069 N7 G A 752 130.490 117.853 -55.703 0.00 0.00 N ATOM 16070 C5 G A 752 131.471 118.282 -54.811 0.00 0.00 C ATOM 16071 C6 G A 752 132.163 119.539 -54.700 0.00 0.00 C ATOM 16072 O6 G A 752 132.047 120.566 -55.357 0.00 0.00 O ATOM 16073 N1 G A 752 133.101 119.566 -53.687 0.00 0.00 N ATOM 16074 C2 G A 752 133.343 118.508 -52.866 0.00 0.00 C ATOM 16075 N2 G A 752 134.280 118.685 -51.963 0.00 0.00 N ATOM 16076 N3 G A 752 132.703 117.333 -52.918 0.00 0.00 N ATOM 16077 C4 G A 752 131.774 117.270 -53.922 0.00 0.00 C ATOM 16078 P A A 753 129.744 111.698 -50.701 0.00 0.00 P ATOM 16079 O1P A A 753 129.681 110.469 -51.550 0.00 0.00 O ATOM 16080 O2P A A 753 128.549 112.187 -49.979 0.00 0.00 O ATOM 16081 O5* A A 753 130.941 111.525 -49.622 0.00 0.00 O ATOM 16082 C5* A A 753 131.954 110.548 -49.799 0.00 0.00 C ATOM 16083 C4* A A 753 133.001 110.528 -48.675 0.00 0.00 C ATOM 16084 O4* A A 753 133.646 111.797 -48.578 0.00 0.00 O ATOM 16085 C3* A A 753 132.409 110.152 -47.309 0.00 0.00 C ATOM 16086 O3* A A 753 133.255 109.217 -46.637 0.00 0.00 O ATOM 16087 C2* A A 753 132.401 111.531 -46.619 0.00 0.00 C ATOM 16088 O2* A A 753 132.509 111.434 -45.206 0.00 0.00 O ATOM 16089 C1* A A 753 133.597 112.257 -47.241 0.00 0.00 C ATOM 16090 N9 A A 753 133.520 113.747 -47.234 0.00 0.00 N ATOM 16091 C8 A A 753 132.840 114.576 -48.095 0.00 0.00 C ATOM 16092 N7 A A 753 133.074 115.854 -47.921 0.00 0.00 N ATOM 16093 C5 A A 753 133.973 115.881 -46.850 0.00 0.00 C ATOM 16094 C6 A A 753 134.654 116.904 -46.132 0.00 0.00 C ATOM 16095 N6 A A 753 134.576 118.209 -46.344 0.00 0.00 N ATOM 16096 N1 A A 753 135.482 116.593 -45.134 0.00 0.00 N ATOM 16097 C2 A A 753 135.643 115.309 -44.842 0.00 0.00 C ATOM 16098 N3 A A 753 135.081 114.248 -45.412 0.00 0.00 N ATOM 16099 C4 A A 753 134.243 114.600 -46.426 0.00 0.00 C ATOM 16100 P C A 754 133.159 107.603 -46.784 0.00 0.00 P ATOM 16101 O1P C A 754 131.764 107.138 -46.979 0.00 0.00 O ATOM 16102 O2P C A 754 133.965 107.063 -45.664 0.00 0.00 O ATOM 16103 O5* C A 754 133.900 107.239 -48.162 0.00 0.00 O ATOM 16104 C5* C A 754 135.255 107.576 -48.373 0.00 0.00 C ATOM 16105 C4* C A 754 135.548 107.503 -49.871 0.00 0.00 C ATOM 16106 O4* C A 754 134.692 108.380 -50.573 0.00 0.00 O ATOM 16107 C3* C A 754 136.938 108.015 -50.202 0.00 0.00 C ATOM 16108 O3* C A 754 137.912 107.044 -49.904 0.00 0.00 O ATOM 16109 C2* C A 754 136.792 108.386 -51.683 0.00 0.00 C ATOM 16110 O2* C A 754 136.990 107.305 -52.571 0.00 0.00 O ATOM 16111 C1* C A 754 135.309 108.736 -51.791 0.00 0.00 C ATOM 16112 N1 C A 754 135.028 110.159 -52.105 0.00 0.00 N ATOM 16113 C2 C A 754 135.408 111.193 -51.229 0.00 0.00 C ATOM 16114 O2 C A 754 136.092 111.002 -50.223 0.00 0.00 O ATOM 16115 N3 C A 754 135.033 112.470 -51.501 0.00 0.00 N ATOM 16116 C4 C A 754 134.335 112.723 -52.598 0.00 0.00 C ATOM 16117 N4 C A 754 133.982 113.961 -52.824 0.00 0.00 N ATOM 16118 C5 C A 754 133.987 111.718 -53.543 0.00 0.00 C ATOM 16119 C6 C A 754 134.354 110.449 -53.264 0.00 0.00 C ATOM 16120 P G A 755 139.457 107.432 -49.805 0.00 0.00 P ATOM 16121 O1P G A 755 139.879 108.002 -51.111 0.00 0.00 O ATOM 16122 O2P G A 755 140.155 106.268 -49.242 0.00 0.00 O ATOM 16123 O5* G A 755 139.451 108.552 -48.662 0.00 0.00 O ATOM 16124 C5* G A 755 139.834 109.892 -48.890 0.00 0.00 C ATOM 16125 C4* G A 755 139.966 110.605 -47.540 0.00 0.00 C ATOM 16126 O4* G A 755 138.734 110.571 -46.814 0.00 0.00 O ATOM 16127 C3* G A 755 141.032 109.955 -46.657 0.00 0.00 C ATOM 16128 O3* G A 755 142.350 110.401 -46.944 0.00 0.00 O ATOM 16129 C2* G A 755 140.520 110.317 -45.262 0.00 0.00 C ATOM 16130 O2* G A 755 140.770 111.647 -44.822 0.00 0.00 O ATOM 16131 C1* G A 755 139.006 110.172 -45.473 0.00 0.00 C ATOM 16132 N9 G A 755 138.569 108.786 -45.153 0.00 0.00 N ATOM 16133 C8 G A 755 138.046 107.785 -45.935 0.00 0.00 C ATOM 16134 N7 G A 755 137.773 106.684 -45.279 0.00 0.00 N ATOM 16135 C5 G A 755 138.141 106.968 -43.960 0.00 0.00 C ATOM 16136 C6 G A 755 138.098 106.188 -42.745 0.00 0.00 C ATOM 16137 O6 G A 755 137.700 105.037 -42.544 0.00 0.00 O ATOM 16138 N1 G A 755 138.585 106.884 -41.648 0.00 0.00 N ATOM 16139 C2 G A 755 139.039 108.175 -41.698 0.00 0.00 C ATOM 16140 N2 G A 755 139.517 108.735 -40.612 0.00 0.00 N ATOM 16141 N3 G A 755 139.069 108.926 -42.789 0.00 0.00 N ATOM 16142 C4 G A 755 138.614 108.261 -43.889 0.00 0.00 C ATOM 16143 P C A 756 143.617 109.420 -46.767 0.00 0.00 P ATOM 16144 O1P C A 756 144.808 110.070 -47.347 0.00 0.00 O ATOM 16145 O2P C A 756 143.225 108.069 -47.219 0.00 0.00 O ATOM 16146 O5* C A 756 143.812 109.373 -45.176 0.00 0.00 O ATOM 16147 C5* C A 756 144.254 110.505 -44.453 0.00 0.00 C ATOM 16148 C4* C A 756 144.412 110.177 -42.964 0.00 0.00 C ATOM 16149 O4* C A 756 143.158 109.802 -42.375 0.00 0.00 O ATOM 16150 C3* C A 756 145.416 109.051 -42.692 0.00 0.00 C ATOM 16151 O3* C A 756 146.796 109.462 -42.730 0.00 0.00 O ATOM 16152 C2* C A 756 144.888 108.613 -41.314 0.00 0.00 C ATOM 16153 O2* C A 756 145.247 109.521 -40.275 0.00 0.00 O ATOM 16154 C1* C A 756 143.365 108.717 -41.465 0.00 0.00 C ATOM 16155 N1 C A 756 142.717 107.439 -41.916 0.00 0.00 N ATOM 16156 C2 C A 756 142.483 106.410 -40.980 0.00 0.00 C ATOM 16157 O2 C A 756 142.858 106.485 -39.806 0.00 0.00 O ATOM 16158 N3 C A 756 141.822 105.283 -41.359 0.00 0.00 N ATOM 16159 C4 C A 756 141.406 105.158 -42.615 0.00 0.00 C ATOM 16160 N4 C A 756 140.759 104.064 -42.936 0.00 0.00 N ATOM 16161 C5 C A 756 141.631 106.158 -43.599 0.00 0.00 C ATOM 16162 C6 C A 756 142.282 107.280 -43.212 0.00 0.00 C ATOM 16163 P U A 757 147.981 108.411 -43.107 0.00 0.00 P ATOM 16164 O1P U A 757 149.345 108.992 -42.980 0.00 0.00 O ATOM 16165 O2P U A 757 147.600 107.711 -44.349 0.00 0.00 O ATOM 16166 O5* U A 757 147.828 107.382 -41.921 0.00 0.00 O ATOM 16167 C5* U A 757 148.240 107.718 -40.618 0.00 0.00 C ATOM 16168 C4* U A 757 147.901 106.557 -39.695 0.00 0.00 C ATOM 16169 O4* U A 757 146.495 106.316 -39.666 0.00 0.00 O ATOM 16170 C3* U A 757 148.601 105.283 -40.162 0.00 0.00 C ATOM 16171 O3* U A 757 149.921 105.243 -39.639 0.00 0.00 O ATOM 16172 C2* U A 757 147.633 104.261 -39.570 0.00 0.00 C ATOM 16173 O2* U A 757 147.894 104.053 -38.194 0.00 0.00 O ATOM 16174 C1* U A 757 146.259 104.919 -39.644 0.00 0.00 C ATOM 16175 N1 U A 757 145.489 104.408 -40.813 0.00 0.00 N ATOM 16176 C2 U A 757 144.741 103.237 -40.628 0.00 0.00 C ATOM 16177 O2 U A 757 144.675 102.632 -39.555 0.00 0.00 O ATOM 16178 N3 U A 757 144.071 102.748 -41.730 0.00 0.00 N ATOM 16179 C4 U A 757 144.075 103.298 -42.991 0.00 0.00 C ATOM 16180 O4 U A 757 143.431 102.777 -43.890 0.00 0.00 O ATOM 16181 C5 U A 757 144.878 104.492 -43.113 0.00 0.00 C ATOM 16182 C6 U A 757 145.554 105.007 -42.054 0.00 0.00 C ATOM 16183 P C A 758 151.068 104.257 -40.165 0.00 0.00 P ATOM 16184 O1P C A 758 152.135 104.328 -39.145 0.00 0.00 O ATOM 16185 O2P C A 758 151.392 104.581 -41.575 0.00 0.00 O ATOM 16186 O5* C A 758 150.426 102.784 -40.134 0.00 0.00 O ATOM 16187 C5* C A 758 150.281 102.075 -38.918 0.00 0.00 C ATOM 16188 C4* C A 758 149.296 100.901 -39.022 0.00 0.00 C ATOM 16189 O4* C A 758 147.997 101.289 -39.449 0.00 0.00 O ATOM 16190 C3* C A 758 149.738 99.780 -39.945 0.00 0.00 C ATOM 16191 O3* C A 758 150.637 98.947 -39.255 0.00 0.00 O ATOM 16192 C2* C A 758 148.391 99.127 -40.248 0.00 0.00 C ATOM 16193 O2* C A 758 147.910 98.339 -39.167 0.00 0.00 O ATOM 16194 C1* C A 758 147.466 100.334 -40.354 0.00 0.00 C ATOM 16195 N1 C A 758 147.316 100.812 -41.767 0.00 0.00 N ATOM 16196 C2 C A 758 146.364 100.160 -42.561 0.00 0.00 C ATOM 16197 O2 C A 758 145.717 99.224 -42.086 0.00 0.00 O ATOM 16198 N3 C A 758 146.162 100.557 -43.847 0.00 0.00 N ATOM 16199 C4 C A 758 146.840 101.586 -44.333 0.00 0.00 C ATOM 16200 N4 C A 758 146.573 101.923 -45.574 0.00 0.00 N ATOM 16201 C5 C A 758 147.821 102.282 -43.566 0.00 0.00 C ATOM 16202 C6 C A 758 148.047 101.851 -42.298 0.00 0.00 C ATOM 16203 P A A 759 151.242 97.607 -39.879 0.00 0.00 P ATOM 16204 O1P A A 759 152.703 97.735 -39.722 0.00 0.00 O ATOM 16205 O2P A A 759 150.647 97.388 -41.224 0.00 0.00 O ATOM 16206 O5* A A 759 150.653 96.461 -38.901 0.00 0.00 O ATOM 16207 C5* A A 759 150.945 96.468 -37.511 0.00 0.00 C ATOM 16208 C4* A A 759 150.451 95.209 -36.778 0.00 0.00 C ATOM 16209 O4* A A 759 149.031 95.080 -36.818 0.00 0.00 O ATOM 16210 C3* A A 759 150.990 93.898 -37.345 0.00 0.00 C ATOM 16211 O3* A A 759 152.343 93.610 -37.018 0.00 0.00 O ATOM 16212 C2* A A 759 150.004 92.907 -36.707 0.00 0.00 C ATOM 16213 O2* A A 759 150.279 92.601 -35.344 0.00 0.00 O ATOM 16214 C1* A A 759 148.692 93.697 -36.735 0.00 0.00 C ATOM 16215 N9 A A 759 147.855 93.298 -37.891 0.00 0.00 N ATOM 16216 C8 A A 759 147.668 93.969 -39.066 0.00 0.00 C ATOM 16217 N7 A A 759 146.839 93.382 -39.883 0.00 0.00 N ATOM 16218 C5 A A 759 146.443 92.226 -39.207 0.00 0.00 C ATOM 16219 C6 A A 759 145.564 91.140 -39.476 0.00 0.00 C ATOM 16220 N6 A A 759 144.802 90.959 -40.544 0.00 0.00 N ATOM 16221 N1 A A 759 145.424 90.146 -38.596 0.00 0.00 N ATOM 16222 C2 A A 759 146.106 90.226 -37.461 0.00 0.00 C ATOM 16223 N3 A A 759 146.950 91.174 -37.065 0.00 0.00 N ATOM 16224 C4 A A 759 147.077 92.164 -37.992 0.00 0.00 C ATOM 16225 P G A 760 153.447 93.363 -38.169 0.00 0.00 P ATOM 16226 O1P G A 760 154.712 92.928 -37.530 0.00 0.00 O ATOM 16227 O2P G A 760 153.447 94.511 -39.089 0.00 0.00 O ATOM 16228 O5* G A 760 152.826 92.100 -38.951 0.00 0.00 O ATOM 16229 C5* G A 760 152.915 90.806 -38.395 0.00 0.00 C ATOM 16230 C4* G A 760 151.890 89.851 -39.014 0.00 0.00 C ATOM 16231 O4* G A 760 150.588 90.433 -39.053 0.00 0.00 O ATOM 16232 C3* G A 760 152.182 89.428 -40.449 0.00 0.00 C ATOM 16233 O3* G A 760 153.215 88.457 -40.573 0.00 0.00 O ATOM 16234 C2* G A 760 150.798 88.861 -40.815 0.00 0.00 C ATOM 16235 O2* G A 760 150.559 87.541 -40.329 0.00 0.00 O ATOM 16236 C1* G A 760 149.839 89.816 -40.090 0.00 0.00 C ATOM 16237 N9 G A 760 149.284 90.776 -41.078 0.00 0.00 N ATOM 16238 C8 G A 760 149.772 91.999 -41.467 0.00 0.00 C ATOM 16239 N7 G A 760 149.220 92.473 -42.554 0.00 0.00 N ATOM 16240 C5 G A 760 148.249 91.526 -42.887 0.00 0.00 C ATOM 16241 C6 G A 760 147.344 91.432 -44.009 0.00 0.00 C ATOM 16242 O6 G A 760 147.260 92.128 -45.026 0.00 0.00 O ATOM 16243 N1 G A 760 146.481 90.348 -43.935 0.00 0.00 N ATOM 16244 C2 G A 760 146.588 89.382 -42.973 0.00 0.00 C ATOM 16245 N2 G A 760 145.788 88.340 -43.056 0.00 0.00 N ATOM 16246 N3 G A 760 147.492 89.366 -41.992 0.00 0.00 N ATOM 16247 C4 G A 760 148.270 90.493 -41.971 0.00 0.00 C ATOM 16248 P G A 761 154.304 88.519 -41.748 0.00 0.00 P ATOM 16249 O1P G A 761 154.993 87.202 -41.722 0.00 0.00 O ATOM 16250 O2P G A 761 155.135 89.711 -41.513 0.00 0.00 O ATOM 16251 O5* G A 761 153.464 88.661 -43.128 0.00 0.00 O ATOM 16252 C5* G A 761 152.657 87.597 -43.602 0.00 0.00 C ATOM 16253 C4* G A 761 151.863 87.909 -44.885 0.00 0.00 C ATOM 16254 O4* G A 761 150.925 88.980 -44.744 0.00 0.00 O ATOM 16255 C3* G A 761 152.725 88.179 -46.118 0.00 0.00 C ATOM 16256 O3* G A 761 153.097 86.948 -46.743 0.00 0.00 O ATOM 16257 C2* G A 761 151.743 89.026 -46.952 0.00 0.00 C ATOM 16258 O2* G A 761 150.749 88.282 -47.654 0.00 0.00 O ATOM 16259 C1* G A 761 150.962 89.811 -45.903 0.00 0.00 C ATOM 16260 N9 G A 761 151.556 91.135 -45.623 0.00 0.00 N ATOM 16261 C8 G A 761 152.219 91.536 -44.491 0.00 0.00 C ATOM 16262 N7 G A 761 152.532 92.796 -44.484 0.00 0.00 N ATOM 16263 C5 G A 761 152.058 93.273 -45.701 0.00 0.00 C ATOM 16264 C6 G A 761 152.131 94.584 -46.266 0.00 0.00 C ATOM 16265 O6 G A 761 152.634 95.590 -45.789 0.00 0.00 O ATOM 16266 N1 G A 761 151.576 94.668 -47.530 0.00 0.00 N ATOM 16267 C2 G A 761 151.045 93.599 -48.196 0.00 0.00 C ATOM 16268 N2 G A 761 150.693 93.783 -49.455 0.00 0.00 N ATOM 16269 N3 G A 761 150.894 92.370 -47.675 0.00 0.00 N ATOM 16270 C4 G A 761 151.453 92.263 -46.419 0.00 0.00 C ATOM 16271 P U A 762 154.499 86.744 -47.518 0.00 0.00 P ATOM 16272 O1P U A 762 154.343 85.519 -48.344 0.00 0.00 O ATOM 16273 O2P U A 762 155.601 86.793 -46.523 0.00 0.00 O ATOM 16274 O5* U A 762 154.525 88.007 -48.522 0.00 0.00 O ATOM 16275 C5* U A 762 153.827 87.946 -49.757 0.00 0.00 C ATOM 16276 C4* U A 762 153.849 89.249 -50.560 0.00 0.00 C ATOM 16277 O4* U A 762 153.141 90.285 -49.890 0.00 0.00 O ATOM 16278 C3* U A 762 155.254 89.759 -50.858 0.00 0.00 C ATOM 16279 O3* U A 762 155.882 89.053 -51.926 0.00 0.00 O ATOM 16280 C2* U A 762 154.907 91.217 -51.169 0.00 0.00 C ATOM 16281 O2* U A 762 154.350 91.419 -52.463 0.00 0.00 O ATOM 16282 C1* U A 762 153.800 91.519 -50.157 0.00 0.00 C ATOM 16283 N1 U A 762 154.351 92.156 -48.927 0.00 0.00 N ATOM 16284 C2 U A 762 154.508 93.546 -48.938 0.00 0.00 C ATOM 16285 O2 U A 762 154.221 94.242 -49.911 0.00 0.00 O ATOM 16286 N3 U A 762 154.997 94.128 -47.785 0.00 0.00 N ATOM 16287 C4 U A 762 155.335 93.471 -46.625 0.00 0.00 C ATOM 16288 O4 U A 762 155.733 94.115 -45.661 0.00 0.00 O ATOM 16289 C5 U A 762 155.154 92.034 -46.689 0.00 0.00 C ATOM 16290 C6 U A 762 154.689 91.422 -47.810 0.00 0.00 C ATOM 16291 P G A 763 157.486 89.069 -52.115 0.00 0.00 P ATOM 16292 O1P G A 763 157.804 88.299 -53.344 0.00 0.00 O ATOM 16293 O2P G A 763 158.109 88.679 -50.834 0.00 0.00 O ATOM 16294 O5* G A 763 157.796 90.622 -52.399 0.00 0.00 O ATOM 16295 C5* G A 763 157.435 91.205 -53.635 0.00 0.00 C ATOM 16296 C4* G A 763 157.544 92.733 -53.616 0.00 0.00 C ATOM 16297 O4* G A 763 156.741 93.316 -52.601 0.00 0.00 O ATOM 16298 C3* G A 763 158.965 93.239 -53.427 0.00 0.00 C ATOM 16299 O3* G A 763 159.685 93.132 -54.648 0.00 0.00 O ATOM 16300 C2* G A 763 158.654 94.669 -52.978 0.00 0.00 C ATOM 16301 O2* G A 763 158.256 95.507 -54.056 0.00 0.00 O ATOM 16302 C1* G A 763 157.434 94.439 -52.077 0.00 0.00 C ATOM 16303 N9 G A 763 157.823 94.251 -50.654 0.00 0.00 N ATOM 16304 C8 G A 763 157.892 93.127 -49.866 0.00 0.00 C ATOM 16305 N7 G A 763 158.214 93.364 -48.620 0.00 0.00 N ATOM 16306 C5 G A 763 158.406 94.751 -48.574 0.00 0.00 C ATOM 16307 C6 G A 763 158.815 95.649 -47.516 0.00 0.00 C ATOM 16308 O6 G A 763 159.052 95.431 -46.325 0.00 0.00 O ATOM 16309 N1 G A 763 159.003 96.950 -47.960 0.00 0.00 N ATOM 16310 C2 G A 763 158.809 97.351 -49.253 0.00 0.00 C ATOM 16311 N2 G A 763 159.139 98.571 -49.598 0.00 0.00 N ATOM 16312 N3 G A 763 158.371 96.568 -50.231 0.00 0.00 N ATOM 16313 C4 G A 763 158.201 95.278 -49.832 0.00 0.00 C ATOM 16314 P C A 764 161.266 92.923 -54.665 0.00 0.00 P ATOM 16315 O1P C A 764 161.668 92.709 -56.078 0.00 0.00 O ATOM 16316 O2P C A 764 161.570 91.852 -53.694 0.00 0.00 O ATOM 16317 O5* C A 764 161.879 94.302 -54.128 0.00 0.00 O ATOM 16318 C5* C A 764 161.838 95.491 -54.893 0.00 0.00 C ATOM 16319 C4* C A 764 162.177 96.735 -54.057 0.00 0.00 C ATOM 16320 O4* C A 764 161.243 96.964 -53.001 0.00 0.00 O ATOM 16321 C3* C A 764 163.565 96.731 -53.422 0.00 0.00 C ATOM 16322 O3* C A 764 164.581 97.072 -54.345 0.00 0.00 O ATOM 16323 C2* C A 764 163.341 97.831 -52.383 0.00 0.00 C ATOM 16324 O2* C A 764 163.268 99.119 -52.988 0.00 0.00 O ATOM 16325 C1* C A 764 161.941 97.494 -51.871 0.00 0.00 C ATOM 16326 N1 C A 764 161.972 96.520 -50.737 0.00 0.00 N ATOM 16327 C2 C A 764 162.234 96.984 -49.436 0.00 0.00 C ATOM 16328 O2 C A 764 162.535 98.160 -49.209 0.00 0.00 O ATOM 16329 N3 C A 764 162.159 96.124 -48.384 0.00 0.00 N ATOM 16330 C4 C A 764 161.842 94.852 -48.607 0.00 0.00 C ATOM 16331 N4 C A 764 161.731 94.056 -47.572 0.00 0.00 N ATOM 16332 C5 C A 764 161.576 94.332 -49.900 0.00 0.00 C ATOM 16333 C6 C A 764 161.673 95.192 -50.938 0.00 0.00 C ATOM 16334 P G A 765 166.098 96.595 -54.136 0.00 0.00 P ATOM 16335 O1P G A 765 166.886 97.377 -55.110 0.00 0.00 O ATOM 16336 O2P G A 765 166.083 95.120 -54.211 0.00 0.00 O ATOM 16337 O5* G A 765 166.485 97.050 -52.625 0.00 0.00 O ATOM 16338 C5* G A 765 166.817 98.393 -52.303 0.00 0.00 C ATOM 16339 C4* G A 765 166.968 98.626 -50.785 0.00 0.00 C ATOM 16340 O4* G A 765 165.782 98.276 -50.073 0.00 0.00 O ATOM 16341 C3* G A 765 168.096 97.864 -50.095 0.00 0.00 C ATOM 16342 O3* G A 765 169.356 98.499 -50.182 0.00 0.00 O ATOM 16343 C2* G A 765 167.608 97.824 -48.648 0.00 0.00 C ATOM 16344 O2* G A 765 167.783 99.059 -47.960 0.00 0.00 O ATOM 16345 C1* G A 765 166.114 97.601 -48.861 0.00 0.00 C ATOM 16346 N9 G A 765 165.755 96.154 -48.917 0.00 0.00 N ATOM 16347 C8 G A 765 165.371 95.382 -49.987 0.00 0.00 C ATOM 16348 N7 G A 765 164.982 94.174 -49.669 0.00 0.00 N ATOM 16349 C5 G A 765 165.124 94.122 -48.280 0.00 0.00 C ATOM 16350 C6 G A 765 164.811 93.091 -47.315 0.00 0.00 C ATOM 16351 O6 G A 765 164.312 91.975 -47.470 0.00 0.00 O ATOM 16352 N1 G A 765 165.088 93.458 -46.008 0.00 0.00 N ATOM 16353 C2 G A 765 165.609 94.676 -45.676 0.00 0.00 C ATOM 16354 N2 G A 765 165.801 94.906 -44.406 0.00 0.00 N ATOM 16355 N3 G A 765 165.889 95.660 -46.531 0.00 0.00 N ATOM 16356 C4 G A 765 165.622 95.326 -47.824 0.00 0.00 C ATOM 16357 P A A 766 170.446 97.916 -51.180 0.00 0.00 P ATOM 16358 O1P A A 766 170.133 98.437 -52.535 0.00 0.00 O ATOM 16359 O2P A A 766 170.513 96.459 -50.888 0.00 0.00 O ATOM 16360 O5* A A 766 171.765 98.645 -50.634 0.00 0.00 O ATOM 16361 C5* A A 766 172.024 99.990 -50.988 0.00 0.00 C ATOM 16362 C4* A A 766 173.240 100.551 -50.251 0.00 0.00 C ATOM 16363 O4* A A 766 173.017 100.600 -48.849 0.00 0.00 O ATOM 16364 C3* A A 766 174.513 99.733 -50.401 0.00 0.00 C ATOM 16365 O3* A A 766 175.107 99.833 -51.694 0.00 0.00 O ATOM 16366 C2* A A 766 175.330 100.382 -49.269 0.00 0.00 C ATOM 16367 O2* A A 766 175.918 101.629 -49.644 0.00 0.00 O ATOM 16368 C1* A A 766 174.274 100.658 -48.188 0.00 0.00 C ATOM 16369 N9 A A 766 174.366 99.676 -47.076 0.00 0.00 N ATOM 16370 C8 A A 766 173.558 98.598 -46.820 0.00 0.00 C ATOM 16371 N7 A A 766 173.882 97.921 -45.748 0.00 0.00 N ATOM 16372 C5 A A 766 174.994 98.609 -45.247 0.00 0.00 C ATOM 16373 C6 A A 766 175.858 98.451 -44.129 0.00 0.00 C ATOM 16374 N6 A A 766 175.828 97.492 -43.221 0.00 0.00 N ATOM 16375 N1 A A 766 176.838 99.323 -43.888 0.00 0.00 N ATOM 16376 C2 A A 766 176.990 100.326 -44.746 0.00 0.00 C ATOM 16377 N3 A A 766 176.305 100.584 -45.859 0.00 0.00 N ATOM 16378 C4 A A 766 175.292 99.684 -46.051 0.00 0.00 C ATOM 16379 P A A 767 175.937 98.614 -52.337 0.00 0.00 P ATOM 16380 O1P A A 767 176.590 99.107 -53.585 0.00 0.00 O ATOM 16381 O2P A A 767 175.059 97.439 -52.438 0.00 0.00 O ATOM 16382 O5* A A 767 177.033 98.292 -51.193 0.00 0.00 O ATOM 16383 C5* A A 767 178.081 99.184 -50.862 0.00 0.00 C ATOM 16384 C4* A A 767 178.833 98.733 -49.601 0.00 0.00 C ATOM 16385 O4* A A 767 178.080 98.803 -48.386 0.00 0.00 O ATOM 16386 C3* A A 767 179.351 97.304 -49.689 0.00 0.00 C ATOM 16387 O3* A A 767 180.519 97.226 -50.487 0.00 0.00 O ATOM 16388 C2* A A 767 179.634 97.066 -48.207 0.00 0.00 C ATOM 16389 O2* A A 767 180.796 97.813 -47.862 0.00 0.00 O ATOM 16390 C1* A A 767 178.413 97.701 -47.543 0.00 0.00 C ATOM 16391 N9 A A 767 177.260 96.760 -47.410 0.00 0.00 N ATOM 16392 C8 A A 767 176.148 96.640 -48.214 0.00 0.00 C ATOM 16393 N7 A A 767 175.260 95.782 -47.789 0.00 0.00 N ATOM 16394 C5 A A 767 175.829 95.273 -46.619 0.00 0.00 C ATOM 16395 C6 A A 767 175.433 94.292 -45.672 0.00 0.00 C ATOM 16396 N6 A A 767 174.321 93.571 -45.750 0.00 0.00 N ATOM 16397 N1 A A 767 176.231 93.986 -44.641 0.00 0.00 N ATOM 16398 C2 A A 767 177.393 94.623 -44.551 0.00 0.00 C ATOM 16399 N3 A A 767 177.902 95.560 -45.356 0.00 0.00 N ATOM 16400 C4 A A 767 177.055 95.848 -46.390 0.00 0.00 C ATOM 16401 P A A 768 180.891 95.893 -51.283 0.00 0.00 P ATOM 16402 O1P A A 768 182.181 96.130 -51.948 0.00 0.00 O ATOM 16403 O2P A A 768 179.698 95.544 -52.092 0.00 0.00 O ATOM 16404 O5* A A 768 181.117 94.812 -50.110 0.00 0.00 O ATOM 16405 C5* A A 768 182.227 94.904 -49.236 0.00 0.00 C ATOM 16406 C4* A A 768 182.098 94.011 -47.987 0.00 0.00 C ATOM 16407 O4* A A 768 180.979 94.364 -47.181 0.00 0.00 O ATOM 16408 C3* A A 768 181.960 92.520 -48.280 0.00 0.00 C ATOM 16409 O3* A A 768 183.204 91.852 -48.397 0.00 0.00 O ATOM 16410 C2* A A 768 181.130 92.026 -47.087 0.00 0.00 C ATOM 16411 O2* A A 768 181.842 91.848 -45.866 0.00 0.00 O ATOM 16412 C1* A A 768 180.205 93.212 -46.866 0.00 0.00 C ATOM 16413 N9 A A 768 178.958 93.093 -47.666 0.00 0.00 N ATOM 16414 C8 A A 768 178.534 93.783 -48.780 0.00 0.00 C ATOM 16415 N7 A A 768 177.324 93.495 -49.160 0.00 0.00 N ATOM 16416 C5 A A 768 176.922 92.514 -48.257 0.00 0.00 C ATOM 16417 C6 A A 768 175.748 91.751 -48.088 0.00 0.00 C ATOM 16418 N6 A A 768 174.684 91.868 -48.860 0.00 0.00 N ATOM 16419 N1 A A 768 175.661 90.841 -47.108 0.00 0.00 N ATOM 16420 C2 A A 768 176.701 90.704 -46.296 0.00 0.00 C ATOM 16421 N3 A A 768 177.857 91.359 -46.332 0.00 0.00 N ATOM 16422 C4 A A 768 177.911 92.257 -47.350 0.00 0.00 C ATOM 16423 P G A 769 183.426 90.799 -49.597 0.00 0.00 P ATOM 16424 O1P G A 769 184.777 90.213 -49.469 0.00 0.00 O ATOM 16425 O2P G A 769 182.986 91.428 -50.854 0.00 0.00 O ATOM 16426 O5* G A 769 182.338 89.689 -49.208 0.00 0.00 O ATOM 16427 C5* G A 769 182.533 88.842 -48.098 0.00 0.00 C ATOM 16428 C4* G A 769 181.270 88.016 -47.859 0.00 0.00 C ATOM 16429 O4* G A 769 180.128 88.829 -47.633 0.00 0.00 O ATOM 16430 C3* G A 769 180.916 87.113 -49.030 0.00 0.00 C ATOM 16431 O3* G A 769 181.843 86.043 -49.123 0.00 0.00 O ATOM 16432 C2* G A 769 179.481 86.762 -48.604 0.00 0.00 C ATOM 16433 O2* G A 769 179.421 85.852 -47.509 0.00 0.00 O ATOM 16434 C1* G A 769 178.985 88.132 -48.111 0.00 0.00 C ATOM 16435 N9 G A 769 178.304 88.881 -49.197 0.00 0.00 N ATOM 16436 C8 G A 769 178.701 89.997 -49.889 0.00 0.00 C ATOM 16437 N7 G A 769 177.842 90.399 -50.788 0.00 0.00 N ATOM 16438 C5 G A 769 176.790 89.485 -50.698 0.00 0.00 C ATOM 16439 C6 G A 769 175.552 89.362 -51.429 0.00 0.00 C ATOM 16440 O6 G A 769 175.062 90.076 -52.307 0.00 0.00 O ATOM 16441 N1 G A 769 174.839 88.230 -51.080 0.00 0.00 N ATOM 16442 C2 G A 769 175.215 87.364 -50.094 0.00 0.00 C ATOM 16443 N2 G A 769 174.466 86.303 -49.934 0.00 0.00 N ATOM 16444 N3 G A 769 176.331 87.466 -49.375 0.00 0.00 N ATOM 16445 C4 G A 769 177.082 88.547 -49.729 0.00 0.00 C ATOM 16446 P C A 770 182.077 85.214 -50.477 0.00 0.00 P ATOM 16447 O1P C A 770 183.080 84.164 -50.180 0.00 0.00 O ATOM 16448 O2P C A 770 182.250 86.101 -51.649 0.00 0.00 O ATOM 16449 O5* C A 770 180.680 84.492 -50.662 0.00 0.00 O ATOM 16450 C5* C A 770 180.283 83.470 -49.779 0.00 0.00 C ATOM 16451 C4* C A 770 178.963 82.898 -50.258 0.00 0.00 C ATOM 16452 O4* C A 770 177.912 83.856 -50.238 0.00 0.00 O ATOM 16453 C3* C A 770 179.040 82.379 -51.697 0.00 0.00 C ATOM 16454 O3* C A 770 179.735 81.138 -51.835 0.00 0.00 O ATOM 16455 C2* C A 770 177.539 82.259 -51.926 0.00 0.00 C ATOM 16456 O2* C A 770 177.128 81.106 -51.189 0.00 0.00 O ATOM 16457 C1* C A 770 177.007 83.569 -51.301 0.00 0.00 C ATOM 16458 N1 C A 770 176.929 84.743 -52.244 0.00 0.00 N ATOM 16459 C2 C A 770 175.828 84.860 -53.115 0.00 0.00 C ATOM 16460 O2 C A 770 174.984 83.958 -53.199 0.00 0.00 O ATOM 16461 N3 C A 770 175.678 85.977 -53.887 0.00 0.00 N ATOM 16462 C4 C A 770 176.586 86.949 -53.815 0.00 0.00 C ATOM 16463 N4 C A 770 176.431 88.024 -54.556 0.00 0.00 N ATOM 16464 C5 C A 770 177.715 86.878 -52.949 0.00 0.00 C ATOM 16465 C6 C A 770 177.849 85.768 -52.186 0.00 0.00 C ATOM 16466 P G A 771 180.323 80.701 -53.272 0.00 0.00 P ATOM 16467 O1P G A 771 180.943 79.355 -53.128 0.00 0.00 O ATOM 16468 O2P G A 771 181.088 81.837 -53.831 0.00 0.00 O ATOM 16469 O5* G A 771 178.992 80.501 -54.142 0.00 0.00 O ATOM 16470 C5* G A 771 178.180 79.349 -53.993 0.00 0.00 C ATOM 16471 C4* G A 771 177.102 79.290 -55.070 0.00 0.00 C ATOM 16472 O4* G A 771 176.157 80.338 -54.904 0.00 0.00 O ATOM 16473 C3* G A 771 177.667 79.374 -56.487 0.00 0.00 C ATOM 16474 O3* G A 771 178.167 78.117 -56.924 0.00 0.00 O ATOM 16475 C2* G A 771 176.420 79.862 -57.222 0.00 0.00 C ATOM 16476 O2* G A 771 175.422 78.868 -57.422 0.00 0.00 O ATOM 16477 C1* G A 771 175.840 80.829 -56.193 0.00 0.00 C ATOM 16478 N9 G A 771 176.309 82.212 -56.409 0.00 0.00 N ATOM 16479 C8 G A 771 177.246 82.990 -55.779 0.00 0.00 C ATOM 16480 N7 G A 771 177.253 84.236 -56.182 0.00 0.00 N ATOM 16481 C5 G A 771 176.262 84.281 -57.177 0.00 0.00 C ATOM 16482 C6 G A 771 175.738 85.334 -58.018 0.00 0.00 C ATOM 16483 O6 G A 771 176.005 86.534 -58.045 0.00 0.00 O ATOM 16484 N1 G A 771 174.774 84.887 -58.917 0.00 0.00 N ATOM 16485 C2 G A 771 174.349 83.585 -58.982 0.00 0.00 C ATOM 16486 N2 G A 771 173.483 83.212 -59.885 0.00 0.00 N ATOM 16487 N3 G A 771 174.771 82.610 -58.198 0.00 0.00 N ATOM 16488 C4 G A 771 175.727 83.024 -57.330 0.00 0.00 C ATOM 16489 P U A 772 179.420 78.021 -57.921 0.00 0.00 P ATOM 16490 O1P U A 772 179.732 76.575 -58.041 0.00 0.00 O ATOM 16491 O2P U A 772 180.457 78.945 -57.422 0.00 0.00 O ATOM 16492 O5* U A 772 178.812 78.540 -59.320 0.00 0.00 O ATOM 16493 C5* U A 772 177.978 77.705 -60.109 0.00 0.00 C ATOM 16494 C4* U A 772 177.414 78.429 -61.335 0.00 0.00 C ATOM 16495 O4* U A 772 176.564 79.499 -60.941 0.00 0.00 O ATOM 16496 C3* U A 772 178.478 79.008 -62.266 0.00 0.00 C ATOM 16497 O3* U A 772 179.053 78.023 -63.120 0.00 0.00 O ATOM 16498 C2* U A 772 177.622 80.041 -63.006 0.00 0.00 C ATOM 16499 O2* U A 772 176.834 79.457 -64.040 0.00 0.00 O ATOM 16500 C1* U A 772 176.667 80.536 -61.911 0.00 0.00 C ATOM 16501 N1 U A 772 177.129 81.814 -61.298 0.00 0.00 N ATOM 16502 C2 U A 772 176.699 83.007 -61.888 0.00 0.00 C ATOM 16503 O2 U A 772 175.991 83.046 -62.890 0.00 0.00 O ATOM 16504 N3 U A 772 177.113 84.179 -61.293 0.00 0.00 N ATOM 16505 C4 U A 772 177.946 84.292 -60.207 0.00 0.00 C ATOM 16506 O4 U A 772 178.267 85.407 -59.813 0.00 0.00 O ATOM 16507 C5 U A 772 178.343 83.020 -59.637 0.00 0.00 C ATOM 16508 C6 U A 772 177.944 81.841 -60.185 0.00 0.00 C ATOM 16509 P G A 773 180.504 78.219 -63.779 0.00 0.00 P ATOM 16510 O1P G A 773 180.701 77.070 -64.704 0.00 0.00 O ATOM 16511 O2P G A 773 181.480 78.459 -62.702 0.00 0.00 O ATOM 16512 O5* G A 773 180.349 79.553 -64.668 0.00 0.00 O ATOM 16513 C5* G A 773 179.715 79.513 -65.934 0.00 0.00 C ATOM 16514 C4* G A 773 179.431 80.903 -66.497 0.00 0.00 C ATOM 16515 O4* G A 773 178.562 81.638 -65.647 0.00 0.00 O ATOM 16516 C3* G A 773 180.660 81.783 -66.704 0.00 0.00 C ATOM 16517 O3* G A 773 181.480 81.370 -67.791 0.00 0.00 O ATOM 16518 C2* G A 773 179.932 83.115 -66.911 0.00 0.00 C ATOM 16519 O2* G A 773 179.304 83.250 -68.182 0.00 0.00 O ATOM 16520 C1* G A 773 178.811 83.015 -65.872 0.00 0.00 C ATOM 16521 N9 G A 773 179.198 83.749 -64.648 0.00 0.00 N ATOM 16522 C8 G A 773 179.785 83.332 -63.481 0.00 0.00 C ATOM 16523 N7 G A 773 180.068 84.307 -62.656 0.00 0.00 N ATOM 16524 C5 G A 773 179.649 85.464 -63.327 0.00 0.00 C ATOM 16525 C6 G A 773 179.704 86.871 -62.999 0.00 0.00 C ATOM 16526 O6 G A 773 180.120 87.444 -61.991 0.00 0.00 O ATOM 16527 N1 G A 773 179.214 87.680 -64.015 0.00 0.00 N ATOM 16528 C2 G A 773 178.721 87.202 -65.196 0.00 0.00 C ATOM 16529 N2 G A 773 178.281 88.030 -66.109 0.00 0.00 N ATOM 16530 N3 G A 773 178.638 85.923 -65.523 0.00 0.00 N ATOM 16531 C4 G A 773 179.120 85.108 -64.548 0.00 0.00 C ATOM 16532 P G A 774 182.989 81.902 -67.950 0.00 0.00 P ATOM 16533 O1P G A 774 183.510 81.245 -69.173 0.00 0.00 O ATOM 16534 O2P G A 774 183.697 81.653 -66.681 0.00 0.00 O ATOM 16535 O5* G A 774 182.873 83.492 -68.195 0.00 0.00 O ATOM 16536 C5* G A 774 182.291 84.012 -69.377 0.00 0.00 C ATOM 16537 C4* G A 774 182.009 85.514 -69.257 0.00 0.00 C ATOM 16538 O4* G A 774 181.175 85.840 -68.153 0.00 0.00 O ATOM 16539 C3* G A 774 183.258 86.385 -69.116 0.00 0.00 C ATOM 16540 O3* G A 774 183.945 86.557 -70.344 0.00 0.00 O ATOM 16541 C2* G A 774 182.587 87.680 -68.651 0.00 0.00 C ATOM 16542 O2* G A 774 181.962 88.397 -69.714 0.00 0.00 O ATOM 16543 C1* G A 774 181.499 87.152 -67.712 0.00 0.00 C ATOM 16544 N9 G A 774 181.972 87.186 -66.309 0.00 0.00 N ATOM 16545 C8 G A 774 182.410 86.188 -65.478 0.00 0.00 C ATOM 16546 N7 G A 774 182.789 86.608 -64.298 0.00 0.00 N ATOM 16547 C5 G A 774 182.567 87.990 -64.335 0.00 0.00 C ATOM 16548 C6 G A 774 182.778 89.042 -63.369 0.00 0.00 C ATOM 16549 O6 G A 774 183.212 88.995 -62.217 0.00 0.00 O ATOM 16550 N1 G A 774 182.472 90.297 -63.870 0.00 0.00 N ATOM 16551 C2 G A 774 181.997 90.525 -65.130 0.00 0.00 C ATOM 16552 N2 G A 774 181.856 91.763 -65.541 0.00 0.00 N ATOM 16553 N3 G A 774 181.766 89.580 -66.033 0.00 0.00 N ATOM 16554 C4 G A 774 182.074 88.336 -65.574 0.00 0.00 C ATOM 16555 P G A 775 185.484 87.016 -70.412 0.00 0.00 P ATOM 16556 O1P G A 775 185.678 87.346 -71.848 0.00 0.00 O ATOM 16557 O2P G A 775 186.328 85.981 -69.767 0.00 0.00 O ATOM 16558 O5* G A 775 185.541 88.383 -69.552 0.00 0.00 O ATOM 16559 C5* G A 775 185.155 89.640 -70.098 0.00 0.00 C ATOM 16560 C4* G A 775 185.237 90.781 -69.076 0.00 0.00 C ATOM 16561 O4* G A 775 184.394 90.573 -67.951 0.00 0.00 O ATOM 16562 C3* G A 775 186.639 91.034 -68.539 0.00 0.00 C ATOM 16563 O3* G A 775 187.455 91.674 -69.505 0.00 0.00 O ATOM 16564 C2* G A 775 186.271 91.884 -67.315 0.00 0.00 C ATOM 16565 O2* G A 775 185.854 93.209 -67.627 0.00 0.00 O ATOM 16566 C1* G A 775 185.037 91.132 -66.811 0.00 0.00 C ATOM 16567 N9 G A 775 185.430 90.066 -65.868 0.00 0.00 N ATOM 16568 C8 G A 775 185.537 88.715 -66.075 0.00 0.00 C ATOM 16569 N7 G A 775 185.908 88.044 -65.019 0.00 0.00 N ATOM 16570 C5 G A 775 186.063 89.029 -64.036 0.00 0.00 C ATOM 16571 C6 G A 775 186.473 88.932 -62.664 0.00 0.00 C ATOM 16572 O6 G A 775 186.779 87.897 -62.068 0.00 0.00 O ATOM 16573 N1 G A 775 186.558 90.165 -62.018 0.00 0.00 N ATOM 16574 C2 G A 775 186.270 91.353 -62.658 0.00 0.00 C ATOM 16575 N2 G A 775 186.468 92.502 -62.058 0.00 0.00 N ATOM 16576 N3 G A 775 185.873 91.462 -63.924 0.00 0.00 N ATOM 16577 C4 G A 775 185.788 90.266 -64.561 0.00 0.00 C ATOM 16578 P G A 776 189.053 91.659 -69.393 0.00 0.00 P ATOM 16579 O1P G A 776 189.646 92.439 -70.494 0.00 0.00 O ATOM 16580 O2P G A 776 189.522 90.270 -69.168 0.00 0.00 O ATOM 16581 O5* G A 776 189.377 92.404 -68.025 0.00 0.00 O ATOM 16582 C5* G A 776 189.177 93.791 -67.839 0.00 0.00 C ATOM 16583 C4* G A 776 189.550 94.105 -66.390 0.00 0.00 C ATOM 16584 O4* G A 776 188.695 93.401 -65.494 0.00 0.00 O ATOM 16585 C3* G A 776 190.986 93.677 -66.077 0.00 0.00 C ATOM 16586 O3* G A 776 191.937 94.606 -66.589 0.00 0.00 O ATOM 16587 C2* G A 776 190.882 93.515 -64.558 0.00 0.00 C ATOM 16588 O2* G A 776 190.925 94.764 -63.894 0.00 0.00 O ATOM 16589 C1* G A 776 189.471 92.921 -64.406 0.00 0.00 C ATOM 16590 N9 G A 776 189.483 91.431 -64.350 0.00 0.00 N ATOM 16591 C8 G A 776 189.345 90.479 -65.330 0.00 0.00 C ATOM 16592 N7 G A 776 189.498 89.244 -64.911 0.00 0.00 N ATOM 16593 C5 G A 776 189.731 89.375 -63.536 0.00 0.00 C ATOM 16594 C6 G A 776 189.984 88.411 -62.482 0.00 0.00 C ATOM 16595 O6 G A 776 190.072 87.177 -62.531 0.00 0.00 O ATOM 16596 N1 G A 776 190.150 89.005 -61.237 0.00 0.00 N ATOM 16597 C2 G A 776 190.027 90.352 -61.023 0.00 0.00 C ATOM 16598 N2 G A 776 190.159 90.802 -59.810 0.00 0.00 N ATOM 16599 N3 G A 776 189.792 91.254 -61.966 0.00 0.00 N ATOM 16600 C4 G A 776 189.671 90.711 -63.200 0.00 0.00 C ATOM 16601 P A A 777 193.517 94.317 -66.560 0.00 0.00 P ATOM 16602 O1P A A 777 194.032 94.253 -67.952 0.00 0.00 O ATOM 16603 O2P A A 777 193.811 93.174 -65.671 0.00 0.00 O ATOM 16604 O5* A A 777 194.119 95.649 -65.888 0.00 0.00 O ATOM 16605 C5* A A 777 194.749 96.649 -66.672 0.00 0.00 C ATOM 16606 C4* A A 777 194.503 98.060 -66.160 0.00 0.00 C ATOM 16607 O4* A A 777 193.146 98.478 -66.335 0.00 0.00 O ATOM 16608 C3* A A 777 194.848 98.324 -64.691 0.00 0.00 C ATOM 16609 O3* A A 777 196.248 98.369 -64.400 0.00 0.00 O ATOM 16610 C2* A A 777 194.167 99.697 -64.619 0.00 0.00 C ATOM 16611 O2* A A 777 194.926 100.621 -65.393 0.00 0.00 O ATOM 16612 C1* A A 777 192.841 99.469 -65.356 0.00 0.00 C ATOM 16613 N9 A A 777 191.721 99.014 -64.485 0.00 0.00 N ATOM 16614 C8 A A 777 191.137 97.771 -64.433 0.00 0.00 C ATOM 16615 N7 A A 777 190.087 97.696 -63.657 0.00 0.00 N ATOM 16616 C5 A A 777 190.016 98.963 -63.088 0.00 0.00 C ATOM 16617 C6 A A 777 189.196 99.542 -62.093 0.00 0.00 C ATOM 16618 N6 A A 777 188.287 98.883 -61.386 0.00 0.00 N ATOM 16619 N1 A A 777 189.319 100.838 -61.798 0.00 0.00 N ATOM 16620 C2 A A 777 190.237 101.541 -62.450 0.00 0.00 C ATOM 16621 N3 A A 777 191.109 101.126 -63.372 0.00 0.00 N ATOM 16622 C4 A A 777 190.960 99.796 -63.637 0.00 0.00 C ATOM 16623 P G A 778 196.794 98.257 -62.882 0.00 0.00 P ATOM 16624 O1P G A 778 198.240 98.524 -62.783 0.00 0.00 O ATOM 16625 O2P G A 778 196.380 96.970 -62.286 0.00 0.00 O ATOM 16626 O5* G A 778 196.098 99.383 -61.996 0.00 0.00 O ATOM 16627 C5* G A 778 196.427 100.756 -62.077 0.00 0.00 C ATOM 16628 C4* G A 778 195.478 101.542 -61.166 0.00 0.00 C ATOM 16629 O4* G A 778 194.132 101.396 -61.619 0.00 0.00 O ATOM 16630 C3* G A 778 195.514 101.129 -59.690 0.00 0.00 C ATOM 16631 O3* G A 778 196.534 101.783 -58.946 0.00 0.00 O ATOM 16632 C2* G A 778 194.117 101.601 -59.291 0.00 0.00 C ATOM 16633 O2* G A 778 194.059 103.017 -59.258 0.00 0.00 O ATOM 16634 C1* G A 778 193.278 101.198 -60.497 0.00 0.00 C ATOM 16635 N9 G A 778 192.785 99.797 -60.425 0.00 0.00 N ATOM 16636 C8 G A 778 193.181 98.699 -61.152 0.00 0.00 C ATOM 16637 N7 G A 778 192.487 97.621 -60.923 0.00 0.00 N ATOM 16638 C5 G A 778 191.544 98.024 -59.980 0.00 0.00 C ATOM 16639 C6 G A 778 190.468 97.305 -59.353 0.00 0.00 C ATOM 16640 O6 G A 778 190.089 96.146 -59.509 0.00 0.00 O ATOM 16641 N1 G A 778 189.761 98.072 -58.450 0.00 0.00 N ATOM 16642 C2 G A 778 189.997 99.390 -58.215 0.00 0.00 C ATOM 16643 N2 G A 778 189.198 99.970 -57.343 0.00 0.00 N ATOM 16644 N3 G A 778 190.970 100.099 -58.789 0.00 0.00 N ATOM 16645 C4 G A 778 191.722 99.357 -59.663 0.00 0.00 C ATOM 16646 P C A 779 197.147 101.125 -57.613 0.00 0.00 P ATOM 16647 O1P C A 779 198.091 102.100 -57.025 0.00 0.00 O ATOM 16648 O2P C A 779 197.619 99.777 -58.008 0.00 0.00 O ATOM 16649 O5* C A 779 195.884 100.957 -56.613 0.00 0.00 O ATOM 16650 C5* C A 779 195.258 102.042 -55.939 0.00 0.00 C ATOM 16651 C4* C A 779 194.019 101.562 -55.153 0.00 0.00 C ATOM 16652 O4* C A 779 193.062 100.958 -56.028 0.00 0.00 O ATOM 16653 C3* C A 779 194.330 100.561 -54.036 0.00 0.00 C ATOM 16654 O3* C A 779 194.569 101.212 -52.795 0.00 0.00 O ATOM 16655 C2* C A 779 193.036 99.737 -53.999 0.00 0.00 C ATOM 16656 O2* C A 779 191.992 100.295 -53.216 0.00 0.00 O ATOM 16657 C1* C A 779 192.501 99.798 -55.419 0.00 0.00 C ATOM 16658 N1 C A 779 192.790 98.528 -56.143 0.00 0.00 N ATOM 16659 C2 C A 779 191.956 97.419 -55.923 0.00 0.00 C ATOM 16660 O2 C A 779 191.036 97.436 -55.101 0.00 0.00 O ATOM 16661 N3 C A 779 192.143 96.282 -56.638 0.00 0.00 N ATOM 16662 C4 C A 779 193.132 96.224 -57.521 0.00 0.00 C ATOM 16663 N4 C A 779 193.241 95.127 -58.227 0.00 0.00 N ATOM 16664 C5 C A 779 194.046 97.296 -57.730 0.00 0.00 C ATOM 16665 C6 C A 779 193.843 98.430 -57.019 0.00 0.00 C ATOM 16666 P A A 780 195.585 100.656 -51.680 0.00 0.00 P ATOM 16667 O1P A A 780 195.542 101.603 -50.544 0.00 0.00 O ATOM 16668 O2P A A 780 196.874 100.363 -52.326 0.00 0.00 O ATOM 16669 O5* A A 780 194.937 99.256 -51.214 0.00 0.00 O ATOM 16670 C5* A A 780 193.786 99.196 -50.388 0.00 0.00 C ATOM 16671 C4* A A 780 193.110 97.821 -50.495 0.00 0.00 C ATOM 16672 O4* A A 780 192.715 97.530 -51.827 0.00 0.00 O ATOM 16673 C3* A A 780 193.999 96.662 -50.057 0.00 0.00 C ATOM 16674 O3* A A 780 194.051 96.601 -48.644 0.00 0.00 O ATOM 16675 C2* A A 780 193.308 95.492 -50.769 0.00 0.00 C ATOM 16676 O2* A A 780 192.095 95.060 -50.187 0.00 0.00 O ATOM 16677 C1* A A 780 192.871 96.140 -52.078 0.00 0.00 C ATOM 16678 N9 A A 780 193.849 95.887 -53.153 0.00 0.00 N ATOM 16679 C8 A A 780 194.972 96.602 -53.496 0.00 0.00 C ATOM 16680 N7 A A 780 195.621 96.113 -54.514 0.00 0.00 N ATOM 16681 C5 A A 780 194.890 94.973 -54.842 0.00 0.00 C ATOM 16682 C6 A A 780 195.060 93.956 -55.799 0.00 0.00 C ATOM 16683 N6 A A 780 196.096 93.898 -56.618 0.00 0.00 N ATOM 16684 N1 A A 780 194.186 92.949 -55.876 0.00 0.00 N ATOM 16685 C2 A A 780 193.159 92.939 -55.032 0.00 0.00 C ATOM 16686 N3 A A 780 192.884 93.814 -54.060 0.00 0.00 N ATOM 16687 C4 A A 780 193.805 94.823 -54.023 0.00 0.00 C ATOM 16688 P A A 781 195.119 95.720 -47.841 0.00 0.00 P ATOM 16689 O1P A A 781 195.990 96.709 -47.163 0.00 0.00 O ATOM 16690 O2P A A 781 195.732 94.750 -48.772 0.00 0.00 O ATOM 16691 O5* A A 781 194.175 94.912 -46.817 0.00 0.00 O ATOM 16692 C5* A A 781 193.178 94.063 -47.362 0.00 0.00 C ATOM 16693 C4* A A 781 192.310 93.288 -46.373 0.00 0.00 C ATOM 16694 O4* A A 781 191.230 92.731 -47.117 0.00 0.00 O ATOM 16695 C3* A A 781 192.987 92.120 -45.674 0.00 0.00 C ATOM 16696 O3* A A 781 193.739 92.590 -44.573 0.00 0.00 O ATOM 16697 C2* A A 781 191.751 91.259 -45.343 0.00 0.00 C ATOM 16698 O2* A A 781 190.913 91.751 -44.313 0.00 0.00 O ATOM 16699 C1* A A 781 190.890 91.456 -46.585 0.00 0.00 C ATOM 16700 N9 A A 781 191.122 90.391 -47.583 0.00 0.00 N ATOM 16701 C8 A A 781 191.944 90.427 -48.677 0.00 0.00 C ATOM 16702 N7 A A 781 191.939 89.327 -49.377 0.00 0.00 N ATOM 16703 C5 A A 781 191.002 88.522 -48.735 0.00 0.00 C ATOM 16704 C6 A A 781 190.436 87.250 -48.998 0.00 0.00 C ATOM 16705 N6 A A 781 190.715 86.452 -50.011 0.00 0.00 N ATOM 16706 N1 A A 781 189.487 86.746 -48.212 0.00 0.00 N ATOM 16707 C2 A A 781 189.087 87.485 -47.187 0.00 0.00 C ATOM 16708 N3 A A 781 189.537 88.676 -46.795 0.00 0.00 N ATOM 16709 C4 A A 781 190.499 89.161 -47.632 0.00 0.00 C ATOM 16710 P A A 782 194.728 91.659 -43.716 0.00 0.00 P ATOM 16711 O1P A A 782 194.140 91.616 -42.358 0.00 0.00 O ATOM 16712 O2P A A 782 196.105 92.154 -43.939 0.00 0.00 O ATOM 16713 O5* A A 782 194.611 90.169 -44.340 0.00 0.00 O ATOM 16714 C5* A A 782 193.976 89.120 -43.620 0.00 0.00 C ATOM 16715 C4* A A 782 193.891 87.817 -44.425 0.00 0.00 C ATOM 16716 O4* A A 782 193.276 88.048 -45.701 0.00 0.00 O ATOM 16717 C3* A A 782 195.226 87.120 -44.675 0.00 0.00 C ATOM 16718 O3* A A 782 195.636 86.234 -43.634 0.00 0.00 O ATOM 16719 C2* A A 782 194.886 86.345 -45.960 0.00 0.00 C ATOM 16720 O2* A A 782 194.162 85.126 -45.760 0.00 0.00 O ATOM 16721 C1* A A 782 193.965 87.308 -46.709 0.00 0.00 C ATOM 16722 N9 A A 782 194.745 88.126 -47.685 0.00 0.00 N ATOM 16723 C8 A A 782 195.187 89.426 -47.611 0.00 0.00 C ATOM 16724 N7 A A 782 195.855 89.831 -48.666 0.00 0.00 N ATOM 16725 C5 A A 782 195.895 88.701 -49.490 0.00 0.00 C ATOM 16726 C6 A A 782 196.479 88.389 -50.751 0.00 0.00 C ATOM 16727 N6 A A 782 197.153 89.221 -51.533 0.00 0.00 N ATOM 16728 N1 A A 782 196.387 87.154 -51.270 0.00 0.00 N ATOM 16729 C2 A A 782 195.670 86.269 -50.582 0.00 0.00 C ATOM 16730 N3 A A 782 195.057 86.411 -49.410 0.00 0.00 N ATOM 16731 C4 A A 782 195.215 87.666 -48.900 0.00 0.00 C ATOM 16732 P C A 783 197.140 86.239 -43.050 0.00 0.00 P ATOM 16733 O1P C A 783 197.356 85.032 -42.207 0.00 0.00 O ATOM 16734 O2P C A 783 197.454 87.585 -42.549 0.00 0.00 O ATOM 16735 O5* C A 783 197.971 85.984 -44.385 0.00 0.00 O ATOM 16736 C5* C A 783 197.914 84.739 -45.039 0.00 0.00 C ATOM 16737 C4* C A 783 198.525 84.821 -46.441 0.00 0.00 C ATOM 16738 O4* C A 783 197.860 85.754 -47.284 0.00 0.00 O ATOM 16739 C3* C A 783 199.993 85.208 -46.413 0.00 0.00 C ATOM 16740 O3* C A 783 200.776 84.066 -46.093 0.00 0.00 O ATOM 16741 C2* C A 783 200.145 85.751 -47.842 0.00 0.00 C ATOM 16742 O2* C A 783 200.238 84.741 -48.847 0.00 0.00 O ATOM 16743 C1* C A 783 198.809 86.471 -48.060 0.00 0.00 C ATOM 16744 N1 C A 783 198.856 87.925 -47.710 0.00 0.00 N ATOM 16745 C2 C A 783 199.384 88.825 -48.652 0.00 0.00 C ATOM 16746 O2 C A 783 199.885 88.423 -49.712 0.00 0.00 O ATOM 16747 N3 C A 783 199.338 90.163 -48.417 0.00 0.00 N ATOM 16748 C4 C A 783 198.795 90.605 -47.284 0.00 0.00 C ATOM 16749 N4 C A 783 198.742 91.901 -47.092 0.00 0.00 N ATOM 16750 C5 C A 783 198.266 89.735 -46.292 0.00 0.00 C ATOM 16751 C6 C A 783 198.314 88.406 -46.539 0.00 0.00 C ATOM 16752 P A A 784 202.226 84.186 -45.411 0.00 0.00 P ATOM 16753 O1P A A 784 202.778 82.810 -45.338 0.00 0.00 O ATOM 16754 O2P A A 784 202.126 84.999 -44.171 0.00 0.00 O ATOM 16755 O5* A A 784 203.017 85.004 -46.553 0.00 0.00 O ATOM 16756 C5* A A 784 203.409 84.359 -47.757 0.00 0.00 C ATOM 16757 C4* A A 784 204.231 85.266 -48.677 0.00 0.00 C ATOM 16758 O4* A A 784 203.458 86.317 -49.241 0.00 0.00 O ATOM 16759 C3* A A 784 205.400 85.913 -47.948 0.00 0.00 C ATOM 16760 O3* A A 784 206.457 84.991 -47.741 0.00 0.00 O ATOM 16761 C2* A A 784 205.701 87.076 -48.897 0.00 0.00 C ATOM 16762 O2* A A 784 206.464 86.724 -50.041 0.00 0.00 O ATOM 16763 C1* A A 784 204.308 87.447 -49.409 0.00 0.00 C ATOM 16764 N9 A A 784 203.752 88.591 -48.665 0.00 0.00 N ATOM 16765 C8 A A 784 202.968 88.578 -47.539 0.00 0.00 C ATOM 16766 N7 A A 784 202.585 89.757 -47.141 0.00 0.00 N ATOM 16767 C5 A A 784 203.171 90.616 -48.078 0.00 0.00 C ATOM 16768 C6 A A 784 203.184 92.015 -48.258 0.00 0.00 C ATOM 16769 N6 A A 784 202.527 92.855 -47.482 0.00 0.00 N ATOM 16770 N1 A A 784 203.893 92.570 -49.251 0.00 0.00 N ATOM 16771 C2 A A 784 204.563 91.761 -50.063 0.00 0.00 C ATOM 16772 N3 A A 784 204.639 90.432 -50.024 0.00 0.00 N ATOM 16773 C4 A A 784 203.907 89.916 -48.995 0.00 0.00 C ATOM 16774 P G A 785 207.637 85.305 -46.712 0.00 0.00 P ATOM 16775 O1P G A 785 208.529 84.125 -46.682 0.00 0.00 O ATOM 16776 O2P G A 785 207.012 85.728 -45.442 0.00 0.00 O ATOM 16777 O5* G A 785 208.418 86.530 -47.377 0.00 0.00 O ATOM 16778 C5* G A 785 208.783 87.656 -46.614 0.00 0.00 C ATOM 16779 C4* G A 785 209.190 88.762 -47.577 0.00 0.00 C ATOM 16780 O4* G A 785 208.049 89.287 -48.256 0.00 0.00 O ATOM 16781 C3* G A 785 209.843 89.931 -46.850 0.00 0.00 C ATOM 16782 O3* G A 785 211.203 89.677 -46.506 0.00 0.00 O ATOM 16783 C2* G A 785 209.589 91.021 -47.902 0.00 0.00 C ATOM 16784 O2* G A 785 210.335 90.880 -49.108 0.00 0.00 O ATOM 16785 C1* G A 785 208.150 90.702 -48.310 0.00 0.00 C ATOM 16786 N9 G A 785 207.148 91.344 -47.427 0.00 0.00 N ATOM 16787 C8 G A 785 206.241 90.778 -46.569 0.00 0.00 C ATOM 16788 N7 G A 785 205.510 91.637 -45.907 0.00 0.00 N ATOM 16789 C5 G A 785 205.922 92.883 -46.420 0.00 0.00 C ATOM 16790 C6 G A 785 205.487 94.240 -46.172 0.00 0.00 C ATOM 16791 O6 G A 785 204.601 94.674 -45.434 0.00 0.00 O ATOM 16792 N1 G A 785 206.202 95.177 -46.900 0.00 0.00 N ATOM 16793 C2 G A 785 207.190 94.873 -47.791 0.00 0.00 C ATOM 16794 N2 G A 785 207.788 95.869 -48.401 0.00 0.00 N ATOM 16795 N3 G A 785 207.589 93.638 -48.077 0.00 0.00 N ATOM 16796 C4 G A 785 206.923 92.692 -47.353 0.00 0.00 C ATOM 16797 P G A 786 211.852 90.272 -45.150 0.00 0.00 P ATOM 16798 O1P G A 786 213.264 89.850 -45.013 0.00 0.00 O ATOM 16799 O2P G A 786 210.944 90.046 -44.008 0.00 0.00 O ATOM 16800 O5* G A 786 211.863 91.841 -45.449 0.00 0.00 O ATOM 16801 C5* G A 786 212.722 92.381 -46.438 0.00 0.00 C ATOM 16802 C4* G A 786 212.600 93.900 -46.502 0.00 0.00 C ATOM 16803 O4* G A 786 211.319 94.288 -46.992 0.00 0.00 O ATOM 16804 C3* G A 786 212.801 94.595 -45.152 0.00 0.00 C ATOM 16805 O3* G A 786 214.165 94.728 -44.759 0.00 0.00 O ATOM 16806 C2* G A 786 212.150 95.929 -45.495 0.00 0.00 C ATOM 16807 O2* G A 786 213.035 96.707 -46.295 0.00 0.00 O ATOM 16808 C1* G A 786 210.930 95.470 -46.309 0.00 0.00 C ATOM 16809 N9 G A 786 209.771 95.213 -45.419 0.00 0.00 N ATOM 16810 C8 G A 786 209.226 94.033 -44.973 0.00 0.00 C ATOM 16811 N7 G A 786 208.189 94.185 -44.192 0.00 0.00 N ATOM 16812 C5 G A 786 208.034 95.575 -44.100 0.00 0.00 C ATOM 16813 C6 G A 786 207.100 96.407 -43.383 0.00 0.00 C ATOM 16814 O6 G A 786 206.164 96.102 -42.646 0.00 0.00 O ATOM 16815 N1 G A 786 207.332 97.761 -43.557 0.00 0.00 N ATOM 16816 C2 G A 786 208.326 98.271 -44.337 0.00 0.00 C ATOM 16817 N2 G A 786 208.457 99.576 -44.383 0.00 0.00 N ATOM 16818 N3 G A 786 209.199 97.538 -45.020 0.00 0.00 N ATOM 16819 C4 G A 786 209.002 96.198 -44.858 0.00 0.00 C ATOM 16820 P A A 787 214.584 94.840 -43.208 0.00 0.00 P ATOM 16821 O1P A A 787 216.048 95.008 -43.109 0.00 0.00 O ATOM 16822 O2P A A 787 213.940 93.694 -42.517 0.00 0.00 O ATOM 16823 O5* A A 787 213.907 96.192 -42.654 0.00 0.00 O ATOM 16824 C5* A A 787 214.387 97.478 -43.028 0.00 0.00 C ATOM 16825 C4* A A 787 213.393 98.579 -42.622 0.00 0.00 C ATOM 16826 O4* A A 787 212.090 98.191 -43.041 0.00 0.00 O ATOM 16827 C3* A A 787 213.295 98.893 -41.127 0.00 0.00 C ATOM 16828 O3* A A 787 214.326 99.777 -40.659 0.00 0.00 O ATOM 16829 C2* A A 787 211.862 99.465 -41.069 0.00 0.00 C ATOM 16830 O2* A A 787 211.670 100.765 -41.599 0.00 0.00 O ATOM 16831 C1* A A 787 211.127 98.612 -42.092 0.00 0.00 C ATOM 16832 N9 A A 787 210.432 97.466 -41.481 0.00 0.00 N ATOM 16833 C8 A A 787 210.733 96.128 -41.543 0.00 0.00 C ATOM 16834 N7 A A 787 209.863 95.358 -40.946 0.00 0.00 N ATOM 16835 C5 A A 787 208.913 96.265 -40.463 0.00 0.00 C ATOM 16836 C6 A A 787 207.713 96.133 -39.733 0.00 0.00 C ATOM 16837 N6 A A 787 207.231 94.948 -39.394 0.00 0.00 N ATOM 16838 N1 A A 787 207.018 97.223 -39.359 0.00 0.00 N ATOM 16839 C2 A A 787 207.474 98.410 -39.757 0.00 0.00 C ATOM 16840 N3 A A 787 208.571 98.678 -40.456 0.00 0.00 N ATOM 16841 C4 A A 787 209.258 97.549 -40.774 0.00 0.00 C ATOM 16842 P U A 788 214.935 99.654 -39.160 0.00 0.00 P ATOM 16843 O1P U A 788 216.063 100.608 -38.947 0.00 0.00 O ATOM 16844 O2P U A 788 215.191 98.215 -38.908 0.00 0.00 O ATOM 16845 O5* U A 788 213.690 100.102 -38.248 0.00 0.00 O ATOM 16846 C5* U A 788 213.184 101.431 -38.233 0.00 0.00 C ATOM 16847 C4* U A 788 211.902 101.530 -37.389 0.00 0.00 C ATOM 16848 O4* U A 788 210.845 100.777 -37.966 0.00 0.00 O ATOM 16849 C3* U A 788 212.085 101.036 -35.961 0.00 0.00 C ATOM 16850 O3* U A 788 212.687 102.040 -35.158 0.00 0.00 O ATOM 16851 C2* U A 788 210.635 100.689 -35.593 0.00 0.00 C ATOM 16852 O2* U A 788 209.841 101.799 -35.189 0.00 0.00 O ATOM 16853 C1* U A 788 210.073 100.192 -36.927 0.00 0.00 C ATOM 16854 N1 U A 788 210.107 98.710 -37.016 0.00 0.00 N ATOM 16855 C2 U A 788 209.018 98.008 -36.490 0.00 0.00 C ATOM 16856 O2 U A 788 208.074 98.548 -35.909 0.00 0.00 O ATOM 16857 N3 U A 788 209.033 96.641 -36.672 0.00 0.00 N ATOM 16858 C4 U A 788 209.997 95.916 -37.334 0.00 0.00 C ATOM 16859 O4 U A 788 209.874 94.704 -37.465 0.00 0.00 O ATOM 16860 C5 U A 788 211.104 96.703 -37.823 0.00 0.00 C ATOM 16861 C6 U A 788 211.136 98.048 -37.651 0.00 0.00 C ATOM 16862 P U A 789 213.634 101.674 -33.919 0.00 0.00 P ATOM 16863 O1P U A 789 213.891 102.921 -33.150 0.00 0.00 O ATOM 16864 O2P U A 789 214.766 100.852 -34.405 0.00 0.00 O ATOM 16865 O5* U A 789 212.675 100.726 -33.060 0.00 0.00 O ATOM 16866 C5* U A 789 211.594 101.256 -32.322 0.00 0.00 C ATOM 16867 C4* U A 789 210.797 100.127 -31.677 0.00 0.00 C ATOM 16868 O4* U A 789 210.120 99.287 -32.610 0.00 0.00 O ATOM 16869 C3* U A 789 211.683 99.223 -30.826 0.00 0.00 C ATOM 16870 O3* U A 789 212.013 99.857 -29.601 0.00 0.00 O ATOM 16871 C2* U A 789 210.713 98.054 -30.691 0.00 0.00 C ATOM 16872 O2* U A 789 209.681 98.421 -29.787 0.00 0.00 O ATOM 16873 C1* U A 789 210.096 97.955 -32.094 0.00 0.00 C ATOM 16874 N1 U A 789 210.803 97.003 -33.011 0.00 0.00 N ATOM 16875 C2 U A 789 210.335 95.684 -33.093 0.00 0.00 C ATOM 16876 O2 U A 789 209.395 95.258 -32.434 0.00 0.00 O ATOM 16877 N3 U A 789 210.955 94.837 -33.989 0.00 0.00 N ATOM 16878 C4 U A 789 212.029 95.161 -34.785 0.00 0.00 C ATOM 16879 O4 U A 789 212.552 94.309 -35.498 0.00 0.00 O ATOM 16880 C5 U A 789 212.435 96.550 -34.695 0.00 0.00 C ATOM 16881 C6 U A 789 211.834 97.413 -33.831 0.00 0.00 C ATOM 16882 P A A 790 213.260 99.401 -28.725 0.00 0.00 P ATOM 16883 O1P A A 790 213.117 100.124 -27.436 0.00 0.00 O ATOM 16884 O2P A A 790 214.481 99.649 -29.517 0.00 0.00 O ATOM 16885 O5* A A 790 213.082 97.832 -28.471 0.00 0.00 O ATOM 16886 C5* A A 790 214.160 97.008 -28.066 0.00 0.00 C ATOM 16887 C4* A A 790 213.641 95.678 -27.505 0.00 0.00 C ATOM 16888 O4* A A 790 212.872 95.906 -26.328 0.00 0.00 O ATOM 16889 C3* A A 790 212.778 94.896 -28.495 0.00 0.00 C ATOM 16890 O3* A A 790 213.584 94.099 -29.360 0.00 0.00 O ATOM 16891 C2* A A 790 211.875 94.109 -27.531 0.00 0.00 C ATOM 16892 O2* A A 790 212.490 92.927 -27.035 0.00 0.00 O ATOM 16893 C1* A A 790 211.726 95.069 -26.342 0.00 0.00 C ATOM 16894 N9 A A 790 210.504 95.916 -26.359 0.00 0.00 N ATOM 16895 C8 A A 790 210.311 97.159 -26.923 0.00 0.00 C ATOM 16896 N7 A A 790 209.168 97.721 -26.626 0.00 0.00 N ATOM 16897 C5 A A 790 208.543 96.756 -25.833 0.00 0.00 C ATOM 16898 C6 A A 790 207.283 96.679 -25.200 0.00 0.00 C ATOM 16899 N6 A A 790 206.340 97.575 -25.419 0.00 0.00 N ATOM 16900 N1 A A 790 206.957 95.637 -24.424 0.00 0.00 N ATOM 16901 C2 A A 790 207.852 94.656 -24.327 0.00 0.00 C ATOM 16902 N3 A A 790 209.062 94.576 -24.884 0.00 0.00 N ATOM 16903 C4 A A 790 209.352 95.670 -25.643 0.00 0.00 C ATOM 16904 P G A 791 213.210 93.911 -30.907 0.00 0.00 P ATOM 16905 O1P G A 791 214.196 93.012 -31.558 0.00 0.00 O ATOM 16906 O2P G A 791 212.978 95.249 -31.488 0.00 0.00 O ATOM 16907 O5* G A 791 211.830 93.100 -30.825 0.00 0.00 O ATOM 16908 C5* G A 791 211.811 91.725 -30.463 0.00 0.00 C ATOM 16909 C4* G A 791 210.383 91.234 -30.242 0.00 0.00 C ATOM 16910 O4* G A 791 209.831 91.839 -29.082 0.00 0.00 O ATOM 16911 C3* G A 791 209.462 91.518 -31.427 0.00 0.00 C ATOM 16912 O3* G A 791 209.649 90.524 -32.439 0.00 0.00 O ATOM 16913 C2* G A 791 208.113 91.511 -30.686 0.00 0.00 C ATOM 16914 O2* G A 791 207.612 90.199 -30.444 0.00 0.00 O ATOM 16915 C1* G A 791 208.473 92.135 -29.342 0.00 0.00 C ATOM 16916 N9 G A 791 208.225 93.599 -29.321 0.00 0.00 N ATOM 16917 C8 G A 791 209.048 94.664 -29.593 0.00 0.00 C ATOM 16918 N7 G A 791 208.534 95.836 -29.313 0.00 0.00 N ATOM 16919 C5 G A 791 207.247 95.528 -28.858 0.00 0.00 C ATOM 16920 C6 G A 791 206.164 96.356 -28.385 0.00 0.00 C ATOM 16921 O6 G A 791 206.084 97.592 -28.246 0.00 0.00 O ATOM 16922 N1 G A 791 205.056 95.605 -28.025 0.00 0.00 N ATOM 16923 C2 G A 791 204.950 94.247 -28.150 0.00 0.00 C ATOM 16924 N2 G A 791 203.846 93.650 -27.761 0.00 0.00 N ATOM 16925 N3 G A 791 205.928 93.462 -28.582 0.00 0.00 N ATOM 16926 C4 G A 791 207.050 94.162 -28.910 0.00 0.00 C ATOM 16927 P A A 792 209.431 90.806 -34.015 0.00 0.00 P ATOM 16928 O1P A A 792 210.006 89.692 -34.803 0.00 0.00 O ATOM 16929 O2P A A 792 209.820 92.199 -34.351 0.00 0.00 O ATOM 16930 O5* A A 792 207.849 90.663 -34.211 0.00 0.00 O ATOM 16931 C5* A A 792 206.946 91.548 -33.589 0.00 0.00 C ATOM 16932 C4* A A 792 205.915 91.983 -34.604 0.00 0.00 C ATOM 16933 O4* A A 792 204.947 92.807 -33.953 0.00 0.00 O ATOM 16934 C3* A A 792 206.607 92.796 -35.700 0.00 0.00 C ATOM 16935 O3* A A 792 206.097 92.438 -36.986 0.00 0.00 O ATOM 16936 C2* A A 792 206.502 94.185 -35.051 0.00 0.00 C ATOM 16937 O2* A A 792 206.723 95.298 -35.875 0.00 0.00 O ATOM 16938 C1* A A 792 205.149 94.167 -34.324 0.00 0.00 C ATOM 16939 N9 A A 792 205.100 95.084 -33.146 0.00 0.00 N ATOM 16940 C8 A A 792 206.151 95.694 -32.498 0.00 0.00 C ATOM 16941 N7 A A 792 205.808 96.507 -31.538 0.00 0.00 N ATOM 16942 C5 A A 792 204.415 96.456 -31.560 0.00 0.00 C ATOM 16943 C6 A A 792 203.400 97.089 -30.803 0.00 0.00 C ATOM 16944 N6 A A 792 203.623 97.871 -29.760 0.00 0.00 N ATOM 16945 N1 A A 792 202.112 96.865 -31.061 0.00 0.00 N ATOM 16946 C2 A A 792 201.823 96.039 -32.059 0.00 0.00 C ATOM 16947 N3 A A 792 202.661 95.360 -32.840 0.00 0.00 N ATOM 16948 C4 A A 792 203.969 95.605 -32.541 0.00 0.00 C ATOM 16949 P U A 793 204.727 92.948 -37.665 0.00 0.00 P ATOM 16950 O1P U A 793 204.569 92.162 -38.906 0.00 0.00 O ATOM 16951 O2P U A 793 204.891 94.419 -37.742 0.00 0.00 O ATOM 16952 O5* U A 793 203.482 92.566 -36.688 0.00 0.00 O ATOM 16953 C5* U A 793 203.223 91.228 -36.248 0.00 0.00 C ATOM 16954 C4* U A 793 202.215 90.371 -37.023 0.00 0.00 C ATOM 16955 O4* U A 793 202.342 89.052 -36.478 0.00 0.00 O ATOM 16956 C3* U A 793 200.737 90.784 -36.926 0.00 0.00 C ATOM 16957 O3* U A 793 200.220 90.612 -38.244 0.00 0.00 O ATOM 16958 C2* U A 793 200.211 89.812 -35.848 0.00 0.00 C ATOM 16959 O2* U A 793 198.822 89.538 -35.896 0.00 0.00 O ATOM 16960 C1* U A 793 201.071 88.563 -36.072 0.00 0.00 C ATOM 16961 N1 U A 793 201.196 87.666 -34.874 0.00 0.00 N ATOM 16962 C2 U A 793 200.977 86.286 -35.031 0.00 0.00 C ATOM 16963 O2 U A 793 200.758 85.757 -36.120 0.00 0.00 O ATOM 16964 N3 U A 793 201.036 85.495 -33.892 0.00 0.00 N ATOM 16965 C4 U A 793 201.388 85.937 -32.633 0.00 0.00 C ATOM 16966 O4 U A 793 201.484 85.145 -31.703 0.00 0.00 O ATOM 16967 C5 U A 793 201.631 87.362 -32.546 0.00 0.00 C ATOM 16968 C6 U A 793 201.529 88.171 -33.633 0.00 0.00 C ATOM 16969 P A A 794 198.990 91.493 -38.832 0.00 0.00 P ATOM 16970 O1P A A 794 197.703 90.916 -38.392 0.00 0.00 O ATOM 16971 O2P A A 794 199.244 91.730 -40.274 0.00 0.00 O ATOM 16972 O5* A A 794 199.128 92.924 -38.116 0.00 0.00 O ATOM 16973 C5* A A 794 199.959 93.943 -38.630 0.00 0.00 C ATOM 16974 C4* A A 794 199.505 95.247 -37.994 0.00 0.00 C ATOM 16975 O4* A A 794 199.903 95.384 -36.637 0.00 0.00 O ATOM 16976 C3* A A 794 200.058 96.468 -38.721 0.00 0.00 C ATOM 16977 O3* A A 794 199.404 96.628 -39.966 0.00 0.00 O ATOM 16978 C2* A A 794 199.714 97.511 -37.662 0.00 0.00 C ATOM 16979 O2* A A 794 198.316 97.753 -37.678 0.00 0.00 O ATOM 16980 C1* A A 794 200.094 96.768 -36.376 0.00 0.00 C ATOM 16981 N9 A A 794 201.518 96.975 -36.007 0.00 0.00 N ATOM 16982 C8 A A 794 202.628 96.275 -36.419 0.00 0.00 C ATOM 16983 N7 A A 794 203.752 96.692 -35.899 0.00 0.00 N ATOM 16984 C5 A A 794 203.354 97.730 -35.056 0.00 0.00 C ATOM 16985 C6 A A 794 204.033 98.595 -34.163 0.00 0.00 C ATOM 16986 N6 A A 794 205.342 98.593 -33.944 0.00 0.00 N ATOM 16987 N1 A A 794 203.354 99.482 -33.426 0.00 0.00 N ATOM 16988 C2 A A 794 202.035 99.533 -33.592 0.00 0.00 C ATOM 16989 N3 A A 794 201.268 98.807 -34.400 0.00 0.00 N ATOM 16990 C4 A A 794 201.995 97.901 -35.109 0.00 0.00 C ATOM 16991 P C A 795 199.984 97.530 -41.145 0.00 0.00 P ATOM 16992 O1P C A 795 199.115 97.141 -42.280 0.00 0.00 O ATOM 16993 O2P C A 795 201.437 97.246 -41.232 0.00 0.00 O ATOM 16994 O5* C A 795 199.827 99.100 -40.747 0.00 0.00 O ATOM 16995 C5* C A 795 198.611 99.767 -40.419 0.00 0.00 C ATOM 16996 C4* C A 795 198.881 100.999 -39.513 0.00 0.00 C ATOM 16997 O4* C A 795 199.466 100.555 -38.290 0.00 0.00 O ATOM 16998 C3* C A 795 199.819 102.093 -40.048 0.00 0.00 C ATOM 16999 O3* C A 795 199.191 103.162 -40.754 0.00 0.00 O ATOM 17000 C2* C A 795 200.418 102.663 -38.749 0.00 0.00 C ATOM 17001 O2* C A 795 199.595 103.661 -38.154 0.00 0.00 O ATOM 17002 C1* C A 795 200.451 101.460 -37.808 0.00 0.00 C ATOM 17003 N1 C A 795 201.815 100.845 -37.718 0.00 0.00 N ATOM 17004 C2 C A 795 202.729 101.349 -36.778 0.00 0.00 C ATOM 17005 O2 C A 795 202.474 102.356 -36.110 0.00 0.00 O ATOM 17006 N3 C A 795 203.950 100.763 -36.633 0.00 0.00 N ATOM 17007 C4 C A 795 204.276 99.728 -37.397 0.00 0.00 C ATOM 17008 N4 C A 795 205.457 99.185 -37.213 0.00 0.00 N ATOM 17009 C5 C A 795 203.404 99.218 -38.399 0.00 0.00 C ATOM 17010 C6 C A 795 202.193 99.808 -38.536 0.00 0.00 C ATOM 17011 P C A 796 199.196 103.270 -42.343 0.00 0.00 P ATOM 17012 O1P C A 796 198.516 104.553 -42.652 0.00 0.00 O ATOM 17013 O2P C A 796 198.640 102.016 -42.887 0.00 0.00 O ATOM 17014 O5* C A 796 200.780 103.431 -42.638 0.00 0.00 O ATOM 17015 C5* C A 796 201.447 104.670 -42.409 0.00 0.00 C ATOM 17016 C4* C A 796 202.954 104.663 -42.727 0.00 0.00 C ATOM 17017 O4* C A 796 203.734 104.001 -41.732 0.00 0.00 O ATOM 17018 C3* C A 796 203.301 104.004 -44.055 0.00 0.00 C ATOM 17019 O3* C A 796 203.007 104.830 -45.165 0.00 0.00 O ATOM 17020 C2* C A 796 204.793 103.719 -43.841 0.00 0.00 C ATOM 17021 O2* C A 796 205.629 104.864 -43.931 0.00 0.00 O ATOM 17022 C1* C A 796 204.783 103.273 -42.376 0.00 0.00 C ATOM 17023 N1 C A 796 204.558 101.804 -42.260 0.00 0.00 N ATOM 17024 C2 C A 796 205.627 100.924 -42.497 0.00 0.00 C ATOM 17025 O2 C A 796 206.717 101.320 -42.905 0.00 0.00 O ATOM 17026 N3 C A 796 205.462 99.590 -42.317 0.00 0.00 N ATOM 17027 C4 C A 796 204.271 99.144 -41.946 0.00 0.00 C ATOM 17028 N4 C A 796 204.126 97.862 -41.799 0.00 0.00 N ATOM 17029 C5 C A 796 203.138 99.983 -41.771 0.00 0.00 C ATOM 17030 C6 C A 796 203.320 101.308 -41.933 0.00 0.00 C ATOM 17031 P C A 797 202.591 104.173 -46.566 0.00 0.00 P ATOM 17032 O1P C A 797 202.259 105.247 -47.514 0.00 0.00 O ATOM 17033 O2P C A 797 201.615 103.098 -46.296 0.00 0.00 O ATOM 17034 O5* C A 797 203.944 103.497 -47.056 0.00 0.00 O ATOM 17035 C5* C A 797 205.053 104.267 -47.456 0.00 0.00 C ATOM 17036 C4* C A 797 206.135 103.346 -48.020 0.00 0.00 C ATOM 17037 O4* C A 797 206.736 102.531 -47.003 0.00 0.00 O ATOM 17038 C3* C A 797 205.611 102.406 -49.113 0.00 0.00 C ATOM 17039 O3* C A 797 205.539 103.022 -50.388 0.00 0.00 O ATOM 17040 C2* C A 797 206.690 101.332 -49.025 0.00 0.00 C ATOM 17041 O2* C A 797 207.900 101.790 -49.610 0.00 0.00 O ATOM 17042 C1* C A 797 206.904 101.208 -47.511 0.00 0.00 C ATOM 17043 N1 C A 797 205.973 100.226 -46.863 0.00 0.00 N ATOM 17044 C2 C A 797 206.254 98.856 -46.974 0.00 0.00 C ATOM 17045 O2 C A 797 207.196 98.453 -47.657 0.00 0.00 O ATOM 17046 N3 C A 797 205.491 97.939 -46.319 0.00 0.00 N ATOM 17047 C4 C A 797 204.480 98.357 -45.563 0.00 0.00 C ATOM 17048 N4 C A 797 203.794 97.454 -44.900 0.00 0.00 N ATOM 17049 C5 C A 797 204.149 99.734 -45.423 0.00 0.00 C ATOM 17050 C6 C A 797 204.909 100.633 -46.091 0.00 0.00 C ATOM 17051 P U A 798 204.744 102.356 -51.612 0.00 0.00 P ATOM 17052 O1P U A 798 204.906 103.241 -52.786 0.00 0.00 O ATOM 17053 O2P U A 798 203.391 102.001 -51.143 0.00 0.00 O ATOM 17054 O5* U A 798 205.527 100.982 -51.919 0.00 0.00 O ATOM 17055 C5* U A 798 206.760 100.955 -52.622 0.00 0.00 C ATOM 17056 C4* U A 798 207.159 99.508 -52.932 0.00 0.00 C ATOM 17057 O4* U A 798 207.349 98.761 -51.725 0.00 0.00 O ATOM 17058 C3* U A 798 206.122 98.762 -53.777 0.00 0.00 C ATOM 17059 O3* U A 798 206.190 99.050 -55.182 0.00 0.00 O ATOM 17060 C2* U A 798 206.496 97.322 -53.392 0.00 0.00 C ATOM 17061 O2* U A 798 207.668 96.856 -54.049 0.00 0.00 O ATOM 17062 C1* U A 798 206.870 97.429 -51.914 0.00 0.00 C ATOM 17063 N1 U A 798 205.750 97.044 -50.998 0.00 0.00 N ATOM 17064 C2 U A 798 205.528 95.676 -50.775 0.00 0.00 C ATOM 17065 O2 U A 798 206.132 94.783 -51.368 0.00 0.00 O ATOM 17066 N3 U A 798 204.568 95.341 -49.838 0.00 0.00 N ATOM 17067 C4 U A 798 203.806 96.214 -49.101 0.00 0.00 C ATOM 17068 O4 U A 798 203.017 95.766 -48.274 0.00 0.00 O ATOM 17069 C5 U A 798 204.052 97.609 -49.415 0.00 0.00 C ATOM 17070 C6 U A 798 204.985 97.982 -50.335 0.00 0.00 C ATOM 17071 P G A 799 204.986 98.643 -56.173 0.00 0.00 P ATOM 17072 O1P G A 799 205.373 98.821 -57.588 0.00 0.00 O ATOM 17073 O2P G A 799 203.760 99.333 -55.723 0.00 0.00 O ATOM 17074 O5* G A 799 204.864 97.085 -55.904 0.00 0.00 O ATOM 17075 C5* G A 799 203.787 96.302 -56.356 0.00 0.00 C ATOM 17076 C4* G A 799 204.104 94.872 -55.924 0.00 0.00 C ATOM 17077 O4* G A 799 204.333 94.839 -54.524 0.00 0.00 O ATOM 17078 C3* G A 799 202.961 93.906 -56.211 0.00 0.00 C ATOM 17079 O3* G A 799 202.981 93.435 -57.560 0.00 0.00 O ATOM 17080 C2* G A 799 203.260 92.827 -55.165 0.00 0.00 C ATOM 17081 O2* G A 799 204.272 91.913 -55.574 0.00 0.00 O ATOM 17082 C1* G A 799 203.822 93.640 -53.989 0.00 0.00 C ATOM 17083 N9 G A 799 202.817 93.964 -52.950 0.00 0.00 N ATOM 17084 C8 G A 799 202.419 95.180 -52.452 0.00 0.00 C ATOM 17085 N7 G A 799 201.597 95.101 -51.438 0.00 0.00 N ATOM 17086 C5 G A 799 201.420 93.727 -51.252 0.00 0.00 C ATOM 17087 C6 G A 799 200.641 92.969 -50.305 0.00 0.00 C ATOM 17088 O6 G A 799 199.915 93.345 -49.383 0.00 0.00 O ATOM 17089 N1 G A 799 200.749 91.601 -50.500 0.00 0.00 N ATOM 17090 C2 G A 799 201.537 91.027 -51.457 0.00 0.00 C ATOM 17091 N2 G A 799 201.553 89.724 -51.577 0.00 0.00 N ATOM 17092 N3 G A 799 202.281 91.690 -52.328 0.00 0.00 N ATOM 17093 C4 G A 799 202.170 93.037 -52.181 0.00 0.00 C ATOM 17094 P G A 800 201.655 93.350 -58.460 0.00 0.00 P ATOM 17095 O1P G A 800 202.012 92.630 -59.725 0.00 0.00 O ATOM 17096 O2P G A 800 201.155 94.745 -58.549 0.00 0.00 O ATOM 17097 O5* G A 800 200.673 92.428 -57.540 0.00 0.00 O ATOM 17098 C5* G A 800 200.931 91.038 -57.340 0.00 0.00 C ATOM 17099 C4* G A 800 200.116 90.353 -56.222 0.00 0.00 C ATOM 17100 O4* G A 800 200.465 90.823 -54.929 0.00 0.00 O ATOM 17101 C3* G A 800 198.601 90.477 -56.359 0.00 0.00 C ATOM 17102 O3* G A 800 198.105 89.562 -57.341 0.00 0.00 O ATOM 17103 C2* G A 800 198.150 90.281 -54.895 0.00 0.00 C ATOM 17104 O2* G A 800 198.096 88.936 -54.411 0.00 0.00 O ATOM 17105 C1* G A 800 199.288 90.982 -54.153 0.00 0.00 C ATOM 17106 N9 G A 800 199.002 92.418 -53.935 0.00 0.00 N ATOM 17107 C8 G A 800 199.405 93.520 -54.646 0.00 0.00 C ATOM 17108 N7 G A 800 199.035 94.659 -54.128 0.00 0.00 N ATOM 17109 C5 G A 800 198.331 94.288 -52.976 0.00 0.00 C ATOM 17110 C6 G A 800 197.699 95.066 -51.941 0.00 0.00 C ATOM 17111 O6 G A 800 197.603 96.282 -51.770 0.00 0.00 O ATOM 17112 N1 G A 800 197.123 94.270 -50.979 0.00 0.00 N ATOM 17113 C2 G A 800 197.170 92.913 -50.940 0.00 0.00 C ATOM 17114 N2 G A 800 196.650 92.393 -49.855 0.00 0.00 N ATOM 17115 N3 G A 800 197.738 92.148 -51.872 0.00 0.00 N ATOM 17116 C4 G A 800 198.300 92.908 -52.866 0.00 0.00 C ATOM 17117 P U A 801 196.752 89.865 -58.170 0.00 0.00 P ATOM 17118 O1P U A 801 196.841 89.260 -59.533 0.00 0.00 O ATOM 17119 O2P U A 801 196.413 91.301 -58.022 0.00 0.00 O ATOM 17120 O5* U A 801 195.732 88.956 -57.332 0.00 0.00 O ATOM 17121 C5* U A 801 195.704 87.549 -57.530 0.00 0.00 C ATOM 17122 C4* U A 801 194.843 86.833 -56.491 0.00 0.00 C ATOM 17123 O4* U A 801 195.372 87.022 -55.183 0.00 0.00 O ATOM 17124 C3* U A 801 193.388 87.298 -56.475 0.00 0.00 C ATOM 17125 O3* U A 801 192.640 86.752 -57.556 0.00 0.00 O ATOM 17126 C2* U A 801 192.999 86.817 -55.067 0.00 0.00 C ATOM 17127 O2* U A 801 192.713 85.432 -54.921 0.00 0.00 O ATOM 17128 C1* U A 801 194.277 87.081 -54.276 0.00 0.00 C ATOM 17129 N1 U A 801 194.167 88.386 -53.580 0.00 0.00 N ATOM 17130 C2 U A 801 193.450 88.407 -52.380 0.00 0.00 C ATOM 17131 O2 U A 801 192.846 87.427 -51.925 0.00 0.00 O ATOM 17132 N3 U A 801 193.449 89.604 -51.699 0.00 0.00 N ATOM 17133 C4 U A 801 194.031 90.787 -52.099 0.00 0.00 C ATOM 17134 O4 U A 801 193.934 91.785 -51.394 0.00 0.00 O ATOM 17135 C5 U A 801 194.707 90.695 -53.374 0.00 0.00 C ATOM 17136 C6 U A 801 194.738 89.536 -54.082 0.00 0.00 C ATOM 17137 P A A 802 191.278 87.438 -58.094 0.00 0.00 P ATOM 17138 O1P A A 802 190.795 86.623 -59.235 0.00 0.00 O ATOM 17139 O2P A A 802 191.488 88.881 -58.324 0.00 0.00 O ATOM 17140 O5* A A 802 190.281 87.235 -56.846 0.00 0.00 O ATOM 17141 C5* A A 802 189.751 85.961 -56.528 0.00 0.00 C ATOM 17142 C4* A A 802 189.078 85.955 -55.147 0.00 0.00 C ATOM 17143 O4* A A 802 189.981 86.369 -54.118 0.00 0.00 O ATOM 17144 C3* A A 802 187.830 86.829 -55.045 0.00 0.00 C ATOM 17145 O3* A A 802 186.657 86.155 -55.471 0.00 0.00 O ATOM 17146 C2* A A 802 187.798 87.059 -53.531 0.00 0.00 C ATOM 17147 O2* A A 802 187.353 85.926 -52.791 0.00 0.00 O ATOM 17148 C1* A A 802 189.274 87.206 -53.198 0.00 0.00 C ATOM 17149 N9 A A 802 189.724 88.624 -53.227 0.00 0.00 N ATOM 17150 C8 A A 802 190.482 89.299 -54.155 0.00 0.00 C ATOM 17151 N7 A A 802 190.854 90.494 -53.780 0.00 0.00 N ATOM 17152 C5 A A 802 190.215 90.663 -52.548 0.00 0.00 C ATOM 17153 C6 A A 802 190.096 91.726 -51.615 0.00 0.00 C ATOM 17154 N6 A A 802 190.678 92.910 -51.716 0.00 0.00 N ATOM 17155 N1 A A 802 189.317 91.605 -50.539 0.00 0.00 N ATOM 17156 C2 A A 802 188.681 90.452 -50.356 0.00 0.00 C ATOM 17157 N3 A A 802 188.734 89.359 -51.116 0.00 0.00 N ATOM 17158 C4 A A 802 189.506 89.538 -52.221 0.00 0.00 C ATOM 17159 P G A 803 185.574 86.867 -56.397 0.00 0.00 P ATOM 17160 O1P G A 803 184.342 86.045 -56.350 0.00 0.00 O ATOM 17161 O2P G A 803 186.184 86.988 -57.736 0.00 0.00 O ATOM 17162 O5* G A 803 185.304 88.319 -55.769 0.00 0.00 O ATOM 17163 C5* G A 803 184.560 88.472 -54.569 0.00 0.00 C ATOM 17164 C4* G A 803 184.831 89.827 -53.900 0.00 0.00 C ATOM 17165 O4* G A 803 186.221 89.948 -53.656 0.00 0.00 O ATOM 17166 C3* G A 803 184.435 91.048 -54.724 0.00 0.00 C ATOM 17167 O3* G A 803 183.043 91.306 -54.638 0.00 0.00 O ATOM 17168 C2* G A 803 185.357 92.122 -54.117 0.00 0.00 C ATOM 17169 O2* G A 803 184.994 92.668 -52.861 0.00 0.00 O ATOM 17170 C1* G A 803 186.601 91.296 -53.820 0.00 0.00 C ATOM 17171 N9 G A 803 187.579 91.438 -54.913 0.00 0.00 N ATOM 17172 C8 G A 803 187.808 90.665 -56.021 0.00 0.00 C ATOM 17173 N7 G A 803 188.747 91.130 -56.802 0.00 0.00 N ATOM 17174 C5 G A 803 189.167 92.306 -56.170 0.00 0.00 C ATOM 17175 C6 G A 803 190.139 93.310 -56.525 0.00 0.00 C ATOM 17176 O6 G A 803 190.900 93.371 -57.492 0.00 0.00 O ATOM 17177 N1 G A 803 190.173 94.365 -55.624 0.00 0.00 N ATOM 17178 C2 G A 803 189.401 94.441 -54.498 0.00 0.00 C ATOM 17179 N2 G A 803 189.498 95.497 -53.730 0.00 0.00 N ATOM 17180 N3 G A 803 188.497 93.539 -54.151 0.00 0.00 N ATOM 17181 C4 G A 803 188.431 92.497 -55.023 0.00 0.00 C ATOM 17182 P U A 804 182.233 91.990 -55.843 0.00 0.00 P ATOM 17183 O1P U A 804 180.788 91.921 -55.545 0.00 0.00 O ATOM 17184 O2P U A 804 182.753 91.423 -57.114 0.00 0.00 O ATOM 17185 O5* U A 804 182.697 93.529 -55.794 0.00 0.00 O ATOM 17186 C5* U A 804 182.434 94.397 -54.702 0.00 0.00 C ATOM 17187 C4* U A 804 183.324 95.649 -54.836 0.00 0.00 C ATOM 17188 O4* U A 804 184.694 95.256 -54.791 0.00 0.00 O ATOM 17189 C3* U A 804 183.123 96.428 -56.137 0.00 0.00 C ATOM 17190 O3* U A 804 182.128 97.447 -56.072 0.00 0.00 O ATOM 17191 C2* U A 804 184.511 97.047 -56.352 0.00 0.00 C ATOM 17192 O2* U A 804 184.699 98.289 -55.678 0.00 0.00 O ATOM 17193 C1* U A 804 185.454 96.013 -55.724 0.00 0.00 C ATOM 17194 N1 U A 804 186.117 95.166 -56.763 0.00 0.00 N ATOM 17195 C2 U A 804 187.267 95.677 -57.374 0.00 0.00 C ATOM 17196 O2 U A 804 187.724 96.791 -57.112 0.00 0.00 O ATOM 17197 N3 U A 804 187.875 94.881 -58.332 0.00 0.00 N ATOM 17198 C4 U A 804 187.421 93.658 -58.780 0.00 0.00 C ATOM 17199 O4 U A 804 187.963 93.086 -59.722 0.00 0.00 O ATOM 17200 C5 U A 804 186.246 93.186 -58.087 0.00 0.00 C ATOM 17201 C6 U A 804 185.630 93.931 -57.135 0.00 0.00 C ATOM 17202 P C A 805 180.702 97.296 -56.770 0.00 0.00 P ATOM 17203 O1P C A 805 180.052 98.625 -56.701 0.00 0.00 O ATOM 17204 O2P C A 805 179.991 96.135 -56.184 0.00 0.00 O ATOM 17205 O5* C A 805 181.183 97.057 -58.298 0.00 0.00 O ATOM 17206 C5* C A 805 181.720 98.138 -59.065 0.00 0.00 C ATOM 17207 C4* C A 805 181.804 97.859 -60.569 0.00 0.00 C ATOM 17208 O4* C A 805 182.946 97.136 -61.022 0.00 0.00 O ATOM 17209 C3* C A 805 180.557 97.134 -61.070 0.00 0.00 C ATOM 17210 O3* C A 805 179.504 98.071 -61.182 0.00 0.00 O ATOM 17211 C2* C A 805 181.097 96.660 -62.411 0.00 0.00 C ATOM 17212 O2* C A 805 181.088 97.791 -63.270 0.00 0.00 O ATOM 17213 C1* C A 805 182.533 96.237 -62.057 0.00 0.00 C ATOM 17214 N1 C A 805 182.644 94.829 -61.552 0.00 0.00 N ATOM 17215 C2 C A 805 182.692 93.739 -62.448 0.00 0.00 C ATOM 17216 O2 C A 805 182.534 93.872 -63.663 0.00 0.00 O ATOM 17217 N3 C A 805 182.895 92.477 -61.975 0.00 0.00 N ATOM 17218 C4 C A 805 183.044 92.294 -60.669 0.00 0.00 C ATOM 17219 N4 C A 805 183.181 91.074 -60.220 0.00 0.00 N ATOM 17220 C5 C A 805 182.990 93.354 -59.728 0.00 0.00 C ATOM 17221 C6 C A 805 182.785 94.597 -60.202 0.00 0.00 C ATOM 17222 P C A 806 177.994 97.640 -61.435 0.00 0.00 P ATOM 17223 O1P C A 806 177.404 98.935 -61.851 0.00 0.00 O ATOM 17224 O2P C A 806 177.534 96.964 -60.209 0.00 0.00 O ATOM 17225 O5* C A 806 177.979 96.584 -62.666 0.00 0.00 O ATOM 17226 C5* C A 806 177.985 96.984 -64.031 0.00 0.00 C ATOM 17227 C4* C A 806 177.790 95.790 -64.987 0.00 0.00 C ATOM 17228 O4* C A 806 178.875 94.865 -64.983 0.00 0.00 O ATOM 17229 C3* C A 806 176.544 94.979 -64.658 0.00 0.00 C ATOM 17230 O3* C A 806 175.355 95.628 -65.095 0.00 0.00 O ATOM 17231 C2* C A 806 176.867 93.654 -65.362 0.00 0.00 C ATOM 17232 O2* C A 806 176.649 93.666 -66.763 0.00 0.00 O ATOM 17233 C1* C A 806 178.378 93.537 -65.162 0.00 0.00 C ATOM 17234 N1 C A 806 178.727 92.662 -64.005 0.00 0.00 N ATOM 17235 C2 C A 806 178.779 91.267 -64.185 0.00 0.00 C ATOM 17236 O2 C A 806 178.436 90.730 -65.244 0.00 0.00 O ATOM 17237 N3 C A 806 179.237 90.476 -63.177 0.00 0.00 N ATOM 17238 C4 C A 806 179.602 91.037 -62.026 0.00 0.00 C ATOM 17239 N4 C A 806 180.058 90.248 -61.084 0.00 0.00 N ATOM 17240 C5 C A 806 179.532 92.438 -61.786 0.00 0.00 C ATOM 17241 C6 C A 806 179.080 93.213 -62.796 0.00 0.00 C ATOM 17242 P A A 807 173.941 95.215 -64.471 0.00 0.00 P ATOM 17243 O1P A A 807 172.957 96.085 -65.159 0.00 0.00 O ATOM 17244 O2P A A 807 174.049 95.228 -63.006 0.00 0.00 O ATOM 17245 O5* A A 807 173.731 93.713 -64.970 0.00 0.00 O ATOM 17246 C5* A A 807 173.402 93.432 -66.314 0.00 0.00 C ATOM 17247 C4* A A 807 173.371 91.921 -66.550 0.00 0.00 C ATOM 17248 O4* A A 807 174.633 91.305 -66.320 0.00 0.00 O ATOM 17249 C3* A A 807 172.381 91.219 -65.633 0.00 0.00 C ATOM 17250 O3* A A 807 171.047 91.397 -66.073 0.00 0.00 O ATOM 17251 C2* A A 807 172.880 89.783 -65.728 0.00 0.00 C ATOM 17252 O2* A A 807 172.503 89.146 -66.940 0.00 0.00 O ATOM 17253 C1* A A 807 174.392 90.009 -65.771 0.00 0.00 C ATOM 17254 N9 A A 807 174.988 89.885 -64.423 0.00 0.00 N ATOM 17255 C8 A A 807 175.283 90.851 -63.490 0.00 0.00 C ATOM 17256 N7 A A 807 175.944 90.412 -62.455 0.00 0.00 N ATOM 17257 C5 A A 807 176.037 89.039 -62.701 0.00 0.00 C ATOM 17258 C6 A A 807 176.587 87.946 -62.000 0.00 0.00 C ATOM 17259 N6 A A 807 177.267 88.066 -60.875 0.00 0.00 N ATOM 17260 N1 A A 807 176.442 86.697 -62.465 0.00 0.00 N ATOM 17261 C2 A A 807 175.783 86.527 -63.606 0.00 0.00 C ATOM 17262 N3 A A 807 175.243 87.457 -64.388 0.00 0.00 N ATOM 17263 C4 A A 807 175.408 88.705 -63.868 0.00 0.00 C ATOM 17264 P C A 808 169.854 91.349 -65.030 0.00 0.00 P ATOM 17265 O1P C A 808 168.641 91.725 -65.795 0.00 0.00 O ATOM 17266 O2P C A 808 170.284 92.181 -63.896 0.00 0.00 O ATOM 17267 O5* C A 808 169.746 89.841 -64.546 0.00 0.00 O ATOM 17268 C5* C A 808 169.034 88.852 -65.253 0.00 0.00 C ATOM 17269 C4* C A 808 169.223 87.535 -64.504 0.00 0.00 C ATOM 17270 O4* C A 808 170.612 87.221 -64.407 0.00 0.00 O ATOM 17271 C3* C A 808 168.694 87.582 -63.071 0.00 0.00 C ATOM 17272 O3* C A 808 167.283 87.449 -62.970 0.00 0.00 O ATOM 17273 C2* C A 808 169.477 86.402 -62.499 0.00 0.00 C ATOM 17274 O2* C A 808 168.936 85.139 -62.886 0.00 0.00 O ATOM 17275 C1* C A 808 170.846 86.550 -63.173 0.00 0.00 C ATOM 17276 N1 C A 808 171.831 87.259 -62.292 0.00 0.00 N ATOM 17277 C2 C A 808 172.662 86.490 -61.464 0.00 0.00 C ATOM 17278 O2 C A 808 172.593 85.259 -61.468 0.00 0.00 O ATOM 17279 N3 C A 808 173.547 87.086 -60.619 0.00 0.00 N ATOM 17280 C4 C A 808 173.599 88.414 -60.577 0.00 0.00 C ATOM 17281 N4 C A 808 174.478 88.963 -59.768 0.00 0.00 N ATOM 17282 C5 C A 808 172.784 89.242 -61.406 0.00 0.00 C ATOM 17283 C6 C A 808 171.909 88.631 -62.241 0.00 0.00 C ATOM 17284 P G A 809 166.499 87.944 -61.653 0.00 0.00 P ATOM 17285 O1P G A 809 165.059 87.651 -61.861 0.00 0.00 O ATOM 17286 O2P G A 809 166.924 89.317 -61.329 0.00 0.00 O ATOM 17287 O5* G A 809 167.018 86.951 -60.501 0.00 0.00 O ATOM 17288 C5* G A 809 166.577 85.605 -60.461 0.00 0.00 C ATOM 17289 C4* G A 809 167.414 84.744 -59.519 0.00 0.00 C ATOM 17290 O4* G A 809 168.787 84.845 -59.860 0.00 0.00 O ATOM 17291 C3* G A 809 167.279 85.105 -58.043 0.00 0.00 C ATOM 17292 O3* G A 809 166.085 84.600 -57.456 0.00 0.00 O ATOM 17293 C2* G A 809 168.554 84.439 -57.521 0.00 0.00 C ATOM 17294 O2* G A 809 168.460 83.030 -57.339 0.00 0.00 O ATOM 17295 C1* G A 809 169.535 84.668 -58.676 0.00 0.00 C ATOM 17296 N9 G A 809 170.438 85.796 -58.367 0.00 0.00 N ATOM 17297 C8 G A 809 170.432 87.121 -58.724 0.00 0.00 C ATOM 17298 N7 G A 809 171.392 87.819 -58.171 0.00 0.00 N ATOM 17299 C5 G A 809 172.080 86.891 -57.377 0.00 0.00 C ATOM 17300 C6 G A 809 173.206 87.002 -56.480 0.00 0.00 C ATOM 17301 O6 G A 809 173.920 87.968 -56.212 0.00 0.00 O ATOM 17302 N1 G A 809 173.474 85.817 -55.809 0.00 0.00 N ATOM 17303 C2 G A 809 172.791 84.650 -56.019 0.00 0.00 C ATOM 17304 N2 G A 809 173.069 83.583 -55.312 0.00 0.00 N ATOM 17305 N3 G A 809 171.789 84.499 -56.866 0.00 0.00 N ATOM 17306 C4 G A 809 171.479 85.660 -57.501 0.00 0.00 C ATOM 17307 P C A 810 165.459 85.245 -56.116 0.00 0.00 P ATOM 17308 O1P C A 810 164.339 84.373 -55.680 0.00 0.00 O ATOM 17309 O2P C A 810 165.177 86.671 -56.396 0.00 0.00 O ATOM 17310 O5* C A 810 166.652 85.167 -55.012 0.00 0.00 O ATOM 17311 C5* C A 810 166.986 83.943 -54.368 0.00 0.00 C ATOM 17312 C4* C A 810 168.263 83.973 -53.493 0.00 0.00 C ATOM 17313 O4* C A 810 169.409 84.481 -54.177 0.00 0.00 O ATOM 17314 C3* C A 810 168.196 84.767 -52.189 0.00 0.00 C ATOM 17315 O3* C A 810 167.447 84.119 -51.168 0.00 0.00 O ATOM 17316 C2* C A 810 169.697 84.843 -51.852 0.00 0.00 C ATOM 17317 O2* C A 810 170.240 83.675 -51.259 0.00 0.00 O ATOM 17318 C1* C A 810 170.368 84.930 -53.217 0.00 0.00 C ATOM 17319 N1 C A 810 170.886 86.309 -53.440 0.00 0.00 N ATOM 17320 C2 C A 810 172.044 86.714 -52.754 0.00 0.00 C ATOM 17321 O2 C A 810 172.616 85.969 -51.955 0.00 0.00 O ATOM 17322 N3 C A 810 172.555 87.956 -52.956 0.00 0.00 N ATOM 17323 C4 C A 810 171.945 88.774 -53.806 0.00 0.00 C ATOM 17324 N4 C A 810 172.485 89.954 -53.996 0.00 0.00 N ATOM 17325 C5 C A 810 170.735 88.429 -54.479 0.00 0.00 C ATOM 17326 C6 C A 810 170.235 87.188 -54.267 0.00 0.00 C ATOM 17327 P C A 811 166.814 84.943 -49.931 0.00 0.00 P ATOM 17328 O1P C A 811 166.126 83.975 -49.055 0.00 0.00 O ATOM 17329 O2P C A 811 166.059 86.100 -50.467 0.00 0.00 O ATOM 17330 O5* C A 811 168.124 85.493 -49.163 0.00 0.00 O ATOM 17331 C5* C A 811 168.871 84.686 -48.263 0.00 0.00 C ATOM 17332 C4* C A 811 170.082 85.460 -47.713 0.00 0.00 C ATOM 17333 O4* C A 811 170.824 86.056 -48.775 0.00 0.00 O ATOM 17334 C3* C A 811 169.697 86.546 -46.712 0.00 0.00 C ATOM 17335 O3* C A 811 169.748 86.020 -45.390 0.00 0.00 O ATOM 17336 C2* C A 811 170.752 87.636 -46.969 0.00 0.00 C ATOM 17337 O2* C A 811 171.846 87.621 -46.067 0.00 0.00 O ATOM 17338 C1* C A 811 171.321 87.321 -48.359 0.00 0.00 C ATOM 17339 N1 C A 811 171.027 88.417 -49.329 0.00 0.00 N ATOM 17340 C2 C A 811 171.858 89.549 -49.332 0.00 0.00 C ATOM 17341 O2 C A 811 172.776 89.665 -48.521 0.00 0.00 O ATOM 17342 N3 C A 811 171.650 90.544 -50.233 0.00 0.00 N ATOM 17343 C4 C A 811 170.650 90.439 -51.088 0.00 0.00 C ATOM 17344 N4 C A 811 170.484 91.454 -51.900 0.00 0.00 N ATOM 17345 C5 C A 811 169.746 89.333 -51.098 0.00 0.00 C ATOM 17346 C6 C A 811 169.961 88.348 -50.192 0.00 0.00 C ATOM 17347 P G A 812 168.510 86.134 -44.374 0.00 0.00 P ATOM 17348 O1P G A 812 168.922 85.473 -43.113 0.00 0.00 O ATOM 17349 O2P G A 812 167.305 85.661 -45.083 0.00 0.00 O ATOM 17350 O5* G A 812 168.309 87.700 -44.096 0.00 0.00 O ATOM 17351 C5* G A 812 169.173 88.469 -43.272 0.00 0.00 C ATOM 17352 C4* G A 812 168.940 89.942 -43.624 0.00 0.00 C ATOM 17353 O4* G A 812 169.273 90.014 -45.009 0.00 0.00 O ATOM 17354 C3* G A 812 167.483 90.430 -43.519 0.00 0.00 C ATOM 17355 O3* G A 812 166.938 90.733 -42.212 0.00 0.00 O ATOM 17356 C2* G A 812 167.446 91.468 -44.655 0.00 0.00 C ATOM 17357 O2* G A 812 167.887 92.755 -44.377 0.00 0.00 O ATOM 17358 C1* G A 812 168.588 91.100 -45.575 0.00 0.00 C ATOM 17359 N9 G A 812 168.110 90.956 -46.954 0.00 0.00 N ATOM 17360 C8 G A 812 167.433 89.938 -47.563 0.00 0.00 C ATOM 17361 N7 G A 812 167.224 90.144 -48.837 0.00 0.00 N ATOM 17362 C5 G A 812 167.769 91.415 -49.077 0.00 0.00 C ATOM 17363 C6 G A 812 167.927 92.206 -50.275 0.00 0.00 C ATOM 17364 O6 G A 812 167.639 91.917 -51.435 0.00 0.00 O ATOM 17365 N1 G A 812 168.557 93.429 -50.059 0.00 0.00 N ATOM 17366 C2 G A 812 168.965 93.847 -48.822 0.00 0.00 C ATOM 17367 N2 G A 812 169.593 94.986 -48.720 0.00 0.00 N ATOM 17368 N3 G A 812 168.834 93.147 -47.702 0.00 0.00 N ATOM 17369 C4 G A 812 168.250 91.933 -47.900 0.00 0.00 C ATOM 17370 P U A 813 166.915 92.178 -41.467 0.00 0.00 P ATOM 17371 O1P U A 813 166.362 92.073 -40.096 0.00 0.00 O ATOM 17372 O2P U A 813 166.357 93.178 -42.412 0.00 0.00 O ATOM 17373 O5* U A 813 168.442 92.556 -41.307 0.00 0.00 O ATOM 17374 C5* U A 813 169.297 91.839 -40.450 0.00 0.00 C ATOM 17375 C4* U A 813 170.699 92.442 -40.543 0.00 0.00 C ATOM 17376 O4* U A 813 171.227 92.492 -41.863 0.00 0.00 O ATOM 17377 C3* U A 813 170.745 93.873 -40.023 0.00 0.00 C ATOM 17378 O3* U A 813 170.741 93.856 -38.615 0.00 0.00 O ATOM 17379 C2* U A 813 172.088 94.311 -40.597 0.00 0.00 C ATOM 17380 O2* U A 813 173.124 93.730 -39.812 0.00 0.00 O ATOM 17381 C1* U A 813 172.032 93.667 -41.990 0.00 0.00 C ATOM 17382 N1 U A 813 171.477 94.584 -43.034 0.00 0.00 N ATOM 17383 C2 U A 813 172.368 95.414 -43.730 0.00 0.00 C ATOM 17384 O2 U A 813 173.531 95.607 -43.365 0.00 0.00 O ATOM 17385 N3 U A 813 171.879 96.035 -44.869 0.00 0.00 N ATOM 17386 C4 U A 813 170.577 95.991 -45.322 0.00 0.00 C ATOM 17387 O4 U A 813 170.240 96.576 -46.346 0.00 0.00 O ATOM 17388 C5 U A 813 169.701 95.201 -44.499 0.00 0.00 C ATOM 17389 C6 U A 813 170.150 94.541 -43.402 0.00 0.00 C ATOM 17390 P A A 814 170.200 95.080 -37.774 0.00 0.00 P ATOM 17391 O1P A A 814 170.557 94.654 -36.402 0.00 0.00 O ATOM 17392 O2P A A 814 168.778 95.211 -38.177 0.00 0.00 O ATOM 17393 O5* A A 814 171.124 96.336 -38.226 0.00 0.00 O ATOM 17394 C5* A A 814 172.400 96.549 -37.620 0.00 0.00 C ATOM 17395 C4* A A 814 173.180 97.768 -38.143 0.00 0.00 C ATOM 17396 O4* A A 814 173.612 97.617 -39.484 0.00 0.00 O ATOM 17397 C3* A A 814 172.407 99.077 -38.056 0.00 0.00 C ATOM 17398 O3* A A 814 172.363 99.517 -36.706 0.00 0.00 O ATOM 17399 C2* A A 814 173.238 99.931 -39.023 0.00 0.00 C ATOM 17400 O2* A A 814 174.450 100.419 -38.465 0.00 0.00 O ATOM 17401 C1* A A 814 173.648 98.904 -40.087 0.00 0.00 C ATOM 17402 N9 A A 814 172.733 98.879 -41.239 0.00 0.00 N ATOM 17403 C8 A A 814 171.699 98.011 -41.467 0.00 0.00 C ATOM 17404 N7 A A 814 171.162 98.122 -42.646 0.00 0.00 N ATOM 17405 C5 A A 814 171.829 99.215 -43.199 0.00 0.00 C ATOM 17406 C6 A A 814 171.676 99.958 -44.387 0.00 0.00 C ATOM 17407 N6 A A 814 170.754 99.707 -45.297 0.00 0.00 N ATOM 17408 N1 A A 814 172.449 101.020 -44.631 0.00 0.00 N ATOM 17409 C2 A A 814 173.375 101.336 -43.733 0.00 0.00 C ATOM 17410 N3 A A 814 173.639 100.728 -42.577 0.00 0.00 N ATOM 17411 C4 A A 814 172.801 99.678 -42.355 0.00 0.00 C ATOM 17412 P A A 815 171.325 100.636 -36.199 0.00 0.00 P ATOM 17413 O1P A A 815 171.280 100.574 -34.722 0.00 0.00 O ATOM 17414 O2P A A 815 170.073 100.521 -36.978 0.00 0.00 O ATOM 17415 O5* A A 815 172.038 102.018 -36.604 0.00 0.00 O ATOM 17416 C5* A A 815 173.125 102.511 -35.848 0.00 0.00 C ATOM 17417 C4* A A 815 173.568 103.878 -36.374 0.00 0.00 C ATOM 17418 O4* A A 815 174.408 104.466 -35.380 0.00 0.00 O ATOM 17419 C3* A A 815 174.356 103.793 -37.691 0.00 0.00 C ATOM 17420 O3* A A 815 173.998 104.919 -38.492 0.00 0.00 O ATOM 17421 C2* A A 815 175.778 103.835 -37.105 0.00 0.00 C ATOM 17422 O2* A A 815 176.818 104.137 -38.012 0.00 0.00 O ATOM 17423 C1* A A 815 175.620 104.863 -35.983 0.00 0.00 C ATOM 17424 N9 A A 815 176.728 104.867 -34.985 0.00 0.00 N ATOM 17425 C8 A A 815 177.256 103.799 -34.295 0.00 0.00 C ATOM 17426 N7 A A 815 178.212 104.098 -33.452 0.00 0.00 N ATOM 17427 C5 A A 815 178.328 105.488 -33.599 0.00 0.00 C ATOM 17428 C6 A A 815 179.155 106.474 -33.001 0.00 0.00 C ATOM 17429 N6 A A 815 180.058 106.230 -32.056 0.00 0.00 N ATOM 17430 N1 A A 815 179.073 107.758 -33.374 0.00 0.00 N ATOM 17431 C2 A A 815 178.178 108.063 -34.315 0.00 0.00 C ATOM 17432 N3 A A 815 177.316 107.263 -34.952 0.00 0.00 N ATOM 17433 C4 A A 815 177.444 105.964 -34.540 0.00 0.00 C ATOM 17434 P A A 816 173.617 104.791 -40.066 0.00 0.00 P ATOM 17435 O1P A A 816 174.832 104.447 -40.855 0.00 0.00 O ATOM 17436 O2P A A 816 172.864 106.020 -40.422 0.00 0.00 O ATOM 17437 O5* A A 816 172.596 103.527 -40.126 0.00 0.00 O ATOM 17438 C5* A A 816 171.209 103.598 -39.781 0.00 0.00 C ATOM 17439 C4* A A 816 170.324 103.312 -41.012 0.00 0.00 C ATOM 17440 O4* A A 816 170.565 101.971 -41.440 0.00 0.00 O ATOM 17441 C3* A A 816 168.795 103.347 -40.785 0.00 0.00 C ATOM 17442 O3* A A 816 168.110 104.603 -40.813 0.00 0.00 O ATOM 17443 C2* A A 816 168.321 102.502 -41.974 0.00 0.00 C ATOM 17444 O2* A A 816 168.285 103.190 -43.215 0.00 0.00 O ATOM 17445 C1* A A 816 169.418 101.461 -42.107 0.00 0.00 C ATOM 17446 N9 A A 816 168.997 100.172 -41.520 0.00 0.00 N ATOM 17447 C8 A A 816 169.119 99.739 -40.222 0.00 0.00 C ATOM 17448 N7 A A 816 168.724 98.511 -40.032 0.00 0.00 N ATOM 17449 C5 A A 816 168.279 98.111 -41.295 0.00 0.00 C ATOM 17450 C6 A A 816 167.735 96.916 -41.816 0.00 0.00 C ATOM 17451 N6 A A 816 167.542 95.809 -41.116 0.00 0.00 N ATOM 17452 N1 A A 816 167.380 96.846 -43.106 0.00 0.00 N ATOM 17453 C2 A A 816 167.589 97.905 -43.876 0.00 0.00 C ATOM 17454 N3 A A 816 168.111 99.078 -43.539 0.00 0.00 N ATOM 17455 C4 A A 816 168.431 99.122 -42.209 0.00 0.00 C ATOM 17456 P C A 817 167.349 105.214 -39.515 0.00 0.00 P ATOM 17457 O1P C A 817 167.652 104.361 -38.348 0.00 0.00 O ATOM 17458 O2P C A 817 165.926 105.516 -39.839 0.00 0.00 O ATOM 17459 O5* C A 817 168.192 106.587 -39.353 0.00 0.00 O ATOM 17460 C5* C A 817 167.641 107.873 -39.601 0.00 0.00 C ATOM 17461 C4* C A 817 168.585 109.030 -39.198 0.00 0.00 C ATOM 17462 O4* C A 817 169.028 108.891 -37.851 0.00 0.00 O ATOM 17463 C3* C A 817 169.836 109.130 -40.084 0.00 0.00 C ATOM 17464 O3* C A 817 170.265 110.478 -40.288 0.00 0.00 O ATOM 17465 C2* C A 817 170.829 108.326 -39.230 0.00 0.00 C ATOM 17466 O2* C A 817 172.180 108.670 -39.436 0.00 0.00 O ATOM 17467 C1* C A 817 170.434 108.657 -37.801 0.00 0.00 C ATOM 17468 N1 C A 817 170.793 107.599 -36.798 0.00 0.00 N ATOM 17469 C2 C A 817 171.837 107.819 -35.875 0.00 0.00 C ATOM 17470 O2 C A 817 172.497 108.863 -35.851 0.00 0.00 O ATOM 17471 N3 C A 817 172.103 106.891 -34.912 0.00 0.00 N ATOM 17472 C4 C A 817 171.323 105.820 -34.808 0.00 0.00 C ATOM 17473 N4 C A 817 171.586 104.978 -33.838 0.00 0.00 N ATOM 17474 C5 C A 817 170.231 105.572 -35.683 0.00 0.00 C ATOM 17475 C6 C A 817 170.002 106.478 -36.663 0.00 0.00 C ATOM 17476 P G A 818 169.391 111.564 -41.089 0.00 0.00 P ATOM 17477 O1P G A 818 168.185 110.921 -41.643 0.00 0.00 O ATOM 17478 O2P G A 818 170.294 112.321 -41.996 0.00 0.00 O ATOM 17479 O5* G A 818 168.944 112.553 -39.907 0.00 0.00 O ATOM 17480 C5* G A 818 169.845 113.528 -39.411 0.00 0.00 C ATOM 17481 C4* G A 818 169.287 114.274 -38.195 0.00 0.00 C ATOM 17482 O4* G A 818 168.048 114.890 -38.548 0.00 0.00 O ATOM 17483 C3* G A 818 169.090 113.311 -37.024 0.00 0.00 C ATOM 17484 O3* G A 818 169.487 113.911 -35.784 0.00 0.00 O ATOM 17485 C2* G A 818 167.587 113.080 -37.152 0.00 0.00 C ATOM 17486 O2* G A 818 166.978 112.901 -35.919 0.00 0.00 O ATOM 17487 C1* G A 818 167.044 114.373 -37.696 0.00 0.00 C ATOM 17488 N9 G A 818 165.684 114.229 -38.282 0.00 0.00 N ATOM 17489 C8 G A 818 165.234 113.631 -39.434 0.00 0.00 C ATOM 17490 N7 G A 818 163.945 113.773 -39.644 0.00 0.00 N ATOM 17491 C5 G A 818 163.489 114.475 -38.516 0.00 0.00 C ATOM 17492 C6 G A 818 162.187 114.960 -38.104 0.00 0.00 C ATOM 17493 O6 G A 818 161.104 114.913 -38.684 0.00 0.00 O ATOM 17494 N1 G A 818 162.192 115.572 -36.851 0.00 0.00 N ATOM 17495 C2 G A 818 163.328 115.722 -36.103 0.00 0.00 C ATOM 17496 N2 G A 818 163.265 116.218 -34.897 0.00 0.00 N ATOM 17497 N3 G A 818 164.529 115.302 -36.456 0.00 0.00 N ATOM 17498 C4 G A 818 164.552 114.698 -37.671 0.00 0.00 C ATOM 17499 P A A 819 170.230 113.036 -34.639 0.00 0.00 P ATOM 17500 O1P A A 819 170.271 113.836 -33.394 0.00 0.00 O ATOM 17501 O2P A A 819 171.563 112.652 -35.132 0.00 0.00 O ATOM 17502 O5* A A 819 169.443 111.669 -34.308 0.00 0.00 O ATOM 17503 C5* A A 819 169.358 110.626 -35.276 0.00 0.00 C ATOM 17504 C4* A A 819 168.909 109.278 -34.722 0.00 0.00 C ATOM 17505 O4* A A 819 169.935 108.727 -33.936 0.00 0.00 O ATOM 17506 C3* A A 819 167.620 109.322 -33.929 0.00 0.00 C ATOM 17507 O3* A A 819 166.698 108.505 -34.637 0.00 0.00 O ATOM 17508 C2* A A 819 168.040 108.759 -32.576 0.00 0.00 C ATOM 17509 O2* A A 819 167.068 107.817 -32.196 0.00 0.00 O ATOM 17510 C1* A A 819 169.410 108.106 -32.790 0.00 0.00 C ATOM 17511 N9 A A 819 170.455 108.364 -31.771 0.00 0.00 N ATOM 17512 C8 A A 819 171.225 109.492 -31.652 0.00 0.00 C ATOM 17513 N7 A A 819 172.201 109.415 -30.786 0.00 0.00 N ATOM 17514 C5 A A 819 172.064 108.108 -30.292 0.00 0.00 C ATOM 17515 C6 A A 819 172.738 107.340 -29.311 0.00 0.00 C ATOM 17516 N6 A A 819 173.753 107.767 -28.577 0.00 0.00 N ATOM 17517 N1 A A 819 172.341 106.096 -29.032 0.00 0.00 N ATOM 17518 C2 A A 819 171.322 105.595 -29.721 0.00 0.00 C ATOM 17519 N3 A A 819 170.616 106.179 -30.685 0.00 0.00 N ATOM 17520 C4 A A 819 171.021 107.457 -30.907 0.00 0.00 C ATOM 17521 P U A 820 165.642 109.173 -35.612 0.00 0.00 P ATOM 17522 O1P U A 820 165.002 108.143 -36.459 0.00 0.00 O ATOM 17523 O2P U A 820 166.250 110.397 -36.200 0.00 0.00 O ATOM 17524 O5* U A 820 164.589 109.719 -34.558 0.00 0.00 O ATOM 17525 C5* U A 820 163.745 108.924 -33.754 0.00 0.00 C ATOM 17526 C4* U A 820 162.612 109.848 -33.281 0.00 0.00 C ATOM 17527 O4* U A 820 163.143 110.966 -32.584 0.00 0.00 O ATOM 17528 C3* U A 820 161.792 110.418 -34.455 0.00 0.00 C ATOM 17529 O3* U A 820 160.454 110.593 -34.006 0.00 0.00 O ATOM 17530 C2* U A 820 162.520 111.744 -34.728 0.00 0.00 C ATOM 17531 O2* U A 820 161.782 112.697 -35.470 0.00 0.00 O ATOM 17532 C1* U A 820 162.799 112.153 -33.283 0.00 0.00 C ATOM 17533 N1 U A 820 163.869 113.166 -33.095 0.00 0.00 N ATOM 17534 C2 U A 820 163.563 114.307 -32.354 0.00 0.00 C ATOM 17535 O2 U A 820 162.460 114.530 -31.867 0.00 0.00 O ATOM 17536 N3 U A 820 164.581 115.216 -32.162 0.00 0.00 N ATOM 17537 C4 U A 820 165.887 115.080 -32.559 0.00 0.00 C ATOM 17538 O4 U A 820 166.707 115.945 -32.266 0.00 0.00 O ATOM 17539 C5 U A 820 166.151 113.842 -33.250 0.00 0.00 C ATOM 17540 C6 U A 820 165.164 112.939 -33.506 0.00 0.00 C ATOM 17541 P G A 821 159.452 109.343 -33.939 0.00 0.00 P ATOM 17542 O1P G A 821 158.324 109.653 -33.021 0.00 0.00 O ATOM 17543 O2P G A 821 160.240 108.106 -33.717 0.00 0.00 O ATOM 17544 O5* G A 821 158.853 109.246 -35.420 0.00 0.00 O ATOM 17545 C5* G A 821 159.475 108.482 -36.445 0.00 0.00 C ATOM 17546 C4* G A 821 158.425 107.630 -37.160 0.00 0.00 C ATOM 17547 O4* G A 821 157.730 106.751 -36.277 0.00 0.00 O ATOM 17548 C3* G A 821 157.378 108.503 -37.833 0.00 0.00 C ATOM 17549 O3* G A 821 157.909 109.093 -39.013 0.00 0.00 O ATOM 17550 C2* G A 821 156.256 107.469 -37.999 0.00 0.00 C ATOM 17551 O2* G A 821 156.489 106.527 -39.035 0.00 0.00 O ATOM 17552 C1* G A 821 156.361 106.714 -36.670 0.00 0.00 C ATOM 17553 N9 G A 821 155.523 107.342 -35.622 0.00 0.00 N ATOM 17554 C8 G A 821 155.913 108.091 -34.550 0.00 0.00 C ATOM 17555 N7 G A 821 154.944 108.444 -33.745 0.00 0.00 N ATOM 17556 C5 G A 821 153.798 107.888 -34.343 0.00 0.00 C ATOM 17557 C6 G A 821 152.401 107.873 -33.964 0.00 0.00 C ATOM 17558 O6 G A 821 151.840 108.325 -32.964 0.00 0.00 O ATOM 17559 N1 G A 821 151.594 107.229 -34.891 0.00 0.00 N ATOM 17560 C2 G A 821 152.072 106.607 -36.008 0.00 0.00 C ATOM 17561 N2 G A 821 151.209 105.995 -36.773 0.00 0.00 N ATOM 17562 N3 G A 821 153.350 106.575 -36.372 0.00 0.00 N ATOM 17563 C4 G A 821 154.162 107.233 -35.503 0.00 0.00 C ATOM 17564 P U A 822 157.448 110.552 -39.499 0.00 0.00 P ATOM 17565 O1P U A 822 158.263 110.969 -40.663 0.00 0.00 O ATOM 17566 O2P U A 822 157.322 111.431 -38.316 0.00 0.00 O ATOM 17567 O5* U A 822 155.980 110.211 -40.019 0.00 0.00 O ATOM 17568 C5* U A 822 155.799 109.359 -41.125 0.00 0.00 C ATOM 17569 C4* U A 822 154.328 109.017 -41.269 0.00 0.00 C ATOM 17570 O4* U A 822 153.823 108.281 -40.149 0.00 0.00 O ATOM 17571 C3* U A 822 153.415 110.236 -41.435 0.00 0.00 C ATOM 17572 O3* U A 822 153.457 110.834 -42.729 0.00 0.00 O ATOM 17573 C2* U A 822 152.109 109.502 -41.149 0.00 0.00 C ATOM 17574 O2* U A 822 151.856 108.573 -42.192 0.00 0.00 O ATOM 17575 C1* U A 822 152.463 108.660 -39.923 0.00 0.00 C ATOM 17576 N1 U A 822 152.285 109.370 -38.615 0.00 0.00 N ATOM 17577 C2 U A 822 151.010 109.395 -38.032 0.00 0.00 C ATOM 17578 O2 U A 822 150.002 108.973 -38.581 0.00 0.00 O ATOM 17579 N3 U A 822 150.899 109.930 -36.767 0.00 0.00 N ATOM 17580 C4 U A 822 151.927 110.434 -36.011 0.00 0.00 C ATOM 17581 O4 U A 822 151.698 110.864 -34.886 0.00 0.00 O ATOM 17582 C5 U A 822 153.216 110.395 -36.669 0.00 0.00 C ATOM 17583 C6 U A 822 153.359 109.890 -37.922 0.00 0.00 C ATOM 17584 P C A 823 153.094 112.390 -42.927 0.00 0.00 P ATOM 17585 O1P C A 823 153.196 112.596 -44.394 0.00 0.00 O ATOM 17586 O2P C A 823 153.944 113.171 -42.014 0.00 0.00 O ATOM 17587 O5* C A 823 151.556 112.515 -42.470 0.00 0.00 O ATOM 17588 C5* C A 823 150.489 112.051 -43.284 0.00 0.00 C ATOM 17589 C4* C A 823 149.117 112.293 -42.630 0.00 0.00 C ATOM 17590 O4* C A 823 148.998 111.613 -41.384 0.00 0.00 O ATOM 17591 C3* C A 823 148.846 113.756 -42.296 0.00 0.00 C ATOM 17592 O3* C A 823 148.598 114.584 -43.424 0.00 0.00 O ATOM 17593 C2* C A 823 147.693 113.601 -41.288 0.00 0.00 C ATOM 17594 O2* C A 823 146.407 113.322 -41.832 0.00 0.00 O ATOM 17595 C1* C A 823 148.139 112.349 -40.517 0.00 0.00 C ATOM 17596 N1 C A 823 148.840 112.690 -39.237 0.00 0.00 N ATOM 17597 C2 C A 823 148.090 112.900 -38.069 0.00 0.00 C ATOM 17598 O2 C A 823 146.864 112.831 -38.092 0.00 0.00 O ATOM 17599 N3 C A 823 148.705 113.186 -36.885 0.00 0.00 N ATOM 17600 C4 C A 823 150.032 113.271 -36.863 0.00 0.00 C ATOM 17601 N4 C A 823 150.613 113.523 -35.709 0.00 0.00 N ATOM 17602 C5 C A 823 150.841 113.064 -38.021 0.00 0.00 C ATOM 17603 C6 C A 823 150.208 112.786 -39.186 0.00 0.00 C ATOM 17604 P G A 824 148.826 116.180 -43.339 0.00 0.00 P ATOM 17605 O1P G A 824 148.627 116.775 -44.679 0.00 0.00 O ATOM 17606 O2P G A 824 150.082 116.435 -42.604 0.00 0.00 O ATOM 17607 O5* G A 824 147.601 116.599 -42.391 0.00 0.00 O ATOM 17608 C5* G A 824 146.265 116.545 -42.852 0.00 0.00 C ATOM 17609 C4* G A 824 145.306 116.895 -41.714 0.00 0.00 C ATOM 17610 O4* G A 824 145.332 115.917 -40.670 0.00 0.00 O ATOM 17611 C3* G A 824 145.622 118.243 -41.075 0.00 0.00 C ATOM 17612 O3* G A 824 145.157 119.328 -41.856 0.00 0.00 O ATOM 17613 C2* G A 824 144.916 118.060 -39.731 0.00 0.00 C ATOM 17614 O2* G A 824 143.500 118.138 -39.776 0.00 0.00 O ATOM 17615 C1* G A 824 145.242 116.604 -39.426 0.00 0.00 C ATOM 17616 N9 G A 824 146.463 116.533 -38.588 0.00 0.00 N ATOM 17617 C8 G A 824 147.794 116.419 -38.908 0.00 0.00 C ATOM 17618 N7 G A 824 148.589 116.400 -37.870 0.00 0.00 N ATOM 17619 C5 G A 824 147.731 116.583 -36.779 0.00 0.00 C ATOM 17620 C6 G A 824 147.971 116.722 -35.364 0.00 0.00 C ATOM 17621 O6 G A 824 149.024 116.649 -34.726 0.00 0.00 O ATOM 17622 N1 G A 824 146.813 116.988 -34.643 0.00 0.00 N ATOM 17623 C2 G A 824 145.566 117.073 -35.205 0.00 0.00 C ATOM 17624 N2 G A 824 144.536 117.336 -34.438 0.00 0.00 N ATOM 17625 N3 G A 824 145.310 116.924 -36.498 0.00 0.00 N ATOM 17626 C4 G A 824 146.434 116.686 -37.230 0.00 0.00 C ATOM 17627 P A A 825 145.775 120.801 -41.683 0.00 0.00 P ATOM 17628 O1P A A 825 145.215 121.667 -42.740 0.00 0.00 O ATOM 17629 O2P A A 825 147.237 120.680 -41.503 0.00 0.00 O ATOM 17630 O5* A A 825 145.139 121.228 -40.271 0.00 0.00 O ATOM 17631 C5* A A 825 143.772 121.571 -40.161 0.00 0.00 C ATOM 17632 C4* A A 825 143.419 121.886 -38.705 0.00 0.00 C ATOM 17633 O4* A A 825 143.703 120.782 -37.845 0.00 0.00 O ATOM 17634 C3* A A 825 144.177 123.089 -38.145 0.00 0.00 C ATOM 17635 O3* A A 825 143.611 124.324 -38.548 0.00 0.00 O ATOM 17636 C2* A A 825 144.017 122.816 -36.649 0.00 0.00 C ATOM 17637 O2* A A 825 142.716 123.137 -36.171 0.00 0.00 O ATOM 17638 C1* A A 825 144.174 121.295 -36.600 0.00 0.00 C ATOM 17639 N9 A A 825 145.585 120.905 -36.355 0.00 0.00 N ATOM 17640 C8 A A 825 146.536 120.458 -37.242 0.00 0.00 C ATOM 17641 N7 A A 825 147.645 120.058 -36.682 0.00 0.00 N ATOM 17642 C5 A A 825 147.434 120.314 -35.325 0.00 0.00 C ATOM 17643 C6 A A 825 148.215 120.161 -34.156 0.00 0.00 C ATOM 17644 N6 A A 825 149.416 119.606 -34.130 0.00 0.00 N ATOM 17645 N1 A A 825 147.757 120.600 -32.976 0.00 0.00 N ATOM 17646 C2 A A 825 146.543 121.137 -32.938 0.00 0.00 C ATOM 17647 N3 A A 825 145.685 121.311 -33.940 0.00 0.00 N ATOM 17648 C4 A A 825 146.201 120.877 -35.125 0.00 0.00 C ATOM 17649 P C A 826 144.479 125.675 -38.577 0.00 0.00 P ATOM 17650 O1P C A 826 143.579 126.751 -39.041 0.00 0.00 O ATOM 17651 O2P C A 826 145.747 125.387 -39.276 0.00 0.00 O ATOM 17652 O5* C A 826 144.834 125.944 -37.034 0.00 0.00 O ATOM 17653 C5* C A 826 143.866 126.413 -36.122 0.00 0.00 C ATOM 17654 C4* C A 826 144.423 126.467 -34.691 0.00 0.00 C ATOM 17655 O4* C A 826 144.842 125.170 -34.267 0.00 0.00 O ATOM 17656 C3* C A 826 145.612 127.399 -34.488 0.00 0.00 C ATOM 17657 O3* C A 826 145.198 128.733 -34.241 0.00 0.00 O ATOM 17658 C2* C A 826 146.299 126.755 -33.273 0.00 0.00 C ATOM 17659 O2* C A 826 145.725 127.073 -32.018 0.00 0.00 O ATOM 17660 C1* C A 826 146.040 125.271 -33.496 0.00 0.00 C ATOM 17661 N1 C A 826 147.230 124.630 -34.130 0.00 0.00 N ATOM 17662 C2 C A 826 148.350 124.334 -33.331 0.00 0.00 C ATOM 17663 O2 C A 826 148.446 124.740 -32.170 0.00 0.00 O ATOM 17664 N3 C A 826 149.371 123.592 -33.837 0.00 0.00 N ATOM 17665 C4 C A 826 149.316 123.208 -35.109 0.00 0.00 C ATOM 17666 N4 C A 826 150.277 122.436 -35.554 0.00 0.00 N ATOM 17667 C5 C A 826 148.252 123.570 -35.983 0.00 0.00 C ATOM 17668 C6 C A 826 147.238 124.297 -35.462 0.00 0.00 C ATOM 17669 P U A 827 146.121 129.985 -34.660 0.00 0.00 P ATOM 17670 O1P U A 827 145.320 131.215 -34.480 0.00 0.00 O ATOM 17671 O2P U A 827 146.755 129.676 -35.958 0.00 0.00 O ATOM 17672 O5* U A 827 147.264 129.936 -33.529 0.00 0.00 O ATOM 17673 C5* U A 827 147.103 130.551 -32.265 0.00 0.00 C ATOM 17674 C4* U A 827 148.338 130.328 -31.375 0.00 0.00 C ATOM 17675 O4* U A 827 148.605 128.936 -31.216 0.00 0.00 O ATOM 17676 C3* U A 827 149.632 130.984 -31.871 0.00 0.00 C ATOM 17677 O3* U A 827 149.765 132.335 -31.452 0.00 0.00 O ATOM 17678 C2* U A 827 150.685 130.108 -31.180 0.00 0.00 C ATOM 17679 O2* U A 827 150.954 130.515 -29.837 0.00 0.00 O ATOM 17680 C1* U A 827 150.015 128.726 -31.202 0.00 0.00 C ATOM 17681 N1 U A 827 150.495 127.906 -32.356 0.00 0.00 N ATOM 17682 C2 U A 827 151.716 127.240 -32.202 0.00 0.00 C ATOM 17683 O2 U A 827 152.420 127.358 -31.201 0.00 0.00 O ATOM 17684 N3 U A 827 152.116 126.412 -33.234 0.00 0.00 N ATOM 17685 C4 U A 827 151.424 126.182 -34.398 0.00 0.00 C ATOM 17686 O4 U A 827 151.895 125.438 -35.244 0.00 0.00 O ATOM 17687 C5 U A 827 150.184 126.923 -34.506 0.00 0.00 C ATOM 17688 C6 U A 827 149.773 127.764 -33.521 0.00 0.00 C ATOM 17689 P U A 828 149.724 133.560 -32.488 0.00 0.00 P ATOM 17690 O1P U A 828 149.922 134.799 -31.706 0.00 0.00 O ATOM 17691 O2P U A 828 148.511 133.425 -33.318 0.00 0.00 O ATOM 17692 O5* U A 828 151.038 133.276 -33.383 0.00 0.00 O ATOM 17693 C5* U A 828 152.342 133.344 -32.832 0.00 0.00 C ATOM 17694 C4* U A 828 152.923 134.765 -32.830 0.00 0.00 C ATOM 17695 O4* U A 828 153.981 134.817 -31.875 0.00 0.00 O ATOM 17696 C3* U A 828 153.581 135.176 -34.149 0.00 0.00 C ATOM 17697 O3* U A 828 152.734 135.644 -35.187 0.00 0.00 O ATOM 17698 C2* U A 828 154.523 136.269 -33.649 0.00 0.00 C ATOM 17699 O2* U A 828 153.887 137.519 -33.479 0.00 0.00 O ATOM 17700 C1* U A 828 154.929 135.804 -32.263 0.00 0.00 C ATOM 17701 N1 U A 828 156.311 135.266 -32.313 0.00 0.00 N ATOM 17702 C2 U A 828 157.372 136.086 -31.905 0.00 0.00 C ATOM 17703 O2 U A 828 157.223 137.214 -31.444 0.00 0.00 O ATOM 17704 N3 U A 828 158.649 135.570 -32.027 0.00 0.00 N ATOM 17705 C4 U A 828 158.952 134.318 -32.519 0.00 0.00 C ATOM 17706 O4 U A 828 160.112 133.937 -32.541 0.00 0.00 O ATOM 17707 C5 U A 828 157.809 133.550 -32.972 0.00 0.00 C ATOM 17708 C6 U A 828 156.550 134.029 -32.859 0.00 0.00 C ATOM 17709 P G A 829 153.319 135.838 -36.676 0.00 0.00 P ATOM 17710 O1P G A 829 152.217 136.180 -37.597 0.00 0.00 O ATOM 17711 O2P G A 829 154.203 134.684 -36.958 0.00 0.00 O ATOM 17712 O5* G A 829 154.254 137.142 -36.504 0.00 0.00 O ATOM 17713 C5* G A 829 155.368 137.348 -37.359 0.00 0.00 C ATOM 17714 C4* G A 829 156.503 138.026 -36.588 0.00 0.00 C ATOM 17715 O4* G A 829 156.942 137.207 -35.515 0.00 0.00 O ATOM 17716 C3* G A 829 157.725 138.217 -37.469 0.00 0.00 C ATOM 17717 O3* G A 829 157.663 139.430 -38.198 0.00 0.00 O ATOM 17718 C2* G A 829 158.861 138.140 -36.449 0.00 0.00 C ATOM 17719 O2* G A 829 158.997 139.338 -35.691 0.00 0.00 O ATOM 17720 C1* G A 829 158.340 137.059 -35.506 0.00 0.00 C ATOM 17721 N9 G A 829 158.704 135.669 -35.886 0.00 0.00 N ATOM 17722 C8 G A 829 157.927 134.633 -36.349 0.00 0.00 C ATOM 17723 N7 G A 829 158.568 133.501 -36.479 0.00 0.00 N ATOM 17724 C5 G A 829 159.870 133.795 -36.065 0.00 0.00 C ATOM 17725 C6 G A 829 161.059 132.987 -35.959 0.00 0.00 C ATOM 17726 O6 G A 829 161.249 131.805 -36.249 0.00 0.00 O ATOM 17727 N1 G A 829 162.133 133.683 -35.428 0.00 0.00 N ATOM 17728 C2 G A 829 162.069 134.987 -35.020 0.00 0.00 C ATOM 17729 N2 G A 829 163.147 135.547 -34.531 0.00 0.00 N ATOM 17730 N3 G A 829 161.004 135.771 -35.138 0.00 0.00 N ATOM 17731 C4 G A 829 159.937 135.115 -35.670 0.00 0.00 C ATOM 17732 P G A 830 158.299 139.493 -39.669 0.00 0.00 P ATOM 17733 O1P G A 830 158.070 140.856 -40.206 0.00 0.00 O ATOM 17734 O2P G A 830 157.819 138.304 -40.402 0.00 0.00 O ATOM 17735 O5* G A 830 159.856 139.278 -39.315 0.00 0.00 O ATOM 17736 C5* G A 830 160.602 140.284 -38.655 0.00 0.00 C ATOM 17737 C4* G A 830 162.009 139.796 -38.295 0.00 0.00 C ATOM 17738 O4* G A 830 161.986 138.651 -37.448 0.00 0.00 O ATOM 17739 C3* G A 830 162.832 139.406 -39.513 0.00 0.00 C ATOM 17740 O3* G A 830 163.320 140.542 -40.206 0.00 0.00 O ATOM 17741 C2* G A 830 163.914 138.551 -38.847 0.00 0.00 C ATOM 17742 O2* G A 830 164.912 139.304 -38.169 0.00 0.00 O ATOM 17743 C1* G A 830 163.096 137.826 -37.774 0.00 0.00 C ATOM 17744 N9 G A 830 162.676 136.482 -38.234 0.00 0.00 N ATOM 17745 C8 G A 830 161.464 136.020 -38.681 0.00 0.00 C ATOM 17746 N7 G A 830 161.448 134.737 -38.933 0.00 0.00 N ATOM 17747 C5 G A 830 162.757 134.314 -38.673 0.00 0.00 C ATOM 17748 C6 G A 830 163.412 133.031 -38.771 0.00 0.00 C ATOM 17749 O6 G A 830 162.975 131.926 -39.092 0.00 0.00 O ATOM 17750 N1 G A 830 164.762 133.089 -38.466 0.00 0.00 N ATOM 17751 C2 G A 830 165.396 134.223 -38.042 0.00 0.00 C ATOM 17752 N2 G A 830 166.676 134.170 -37.770 0.00 0.00 N ATOM 17753 N3 G A 830 164.822 135.411 -37.909 0.00 0.00 N ATOM 17754 C4 G A 830 163.505 135.393 -38.253 0.00 0.00 C ATOM 17755 P A A 831 163.547 140.499 -41.794 0.00 0.00 P ATOM 17756 O1P A A 831 164.031 141.827 -42.231 0.00 0.00 O ATOM 17757 O2P A A 831 162.348 139.893 -42.405 0.00 0.00 O ATOM 17758 O5* A A 831 164.755 139.446 -41.904 0.00 0.00 O ATOM 17759 C5* A A 831 166.072 139.821 -41.554 0.00 0.00 C ATOM 17760 C4* A A 831 167.025 138.631 -41.657 0.00 0.00 C ATOM 17761 O4* A A 831 166.641 137.604 -40.751 0.00 0.00 O ATOM 17762 C3* A A 831 167.069 138.007 -43.050 0.00 0.00 C ATOM 17763 O3* A A 831 167.880 138.740 -43.952 0.00 0.00 O ATOM 17764 C2* A A 831 167.604 136.618 -42.701 0.00 0.00 C ATOM 17765 O2* A A 831 168.993 136.572 -42.415 0.00 0.00 O ATOM 17766 C1* A A 831 166.881 136.358 -41.382 0.00 0.00 C ATOM 17767 N9 A A 831 165.628 135.618 -41.619 0.00 0.00 N ATOM 17768 C8 A A 831 164.342 136.049 -41.848 0.00 0.00 C ATOM 17769 N7 A A 831 163.483 135.077 -42.016 0.00 0.00 N ATOM 17770 C5 A A 831 164.274 133.925 -41.930 0.00 0.00 C ATOM 17771 C6 A A 831 164.048 132.534 -42.046 0.00 0.00 C ATOM 17772 N6 A A 831 162.870 131.980 -42.265 0.00 0.00 N ATOM 17773 N1 A A 831 165.068 131.671 -41.914 0.00 0.00 N ATOM 17774 C2 A A 831 166.272 132.157 -41.654 0.00 0.00 C ATOM 17775 N3 A A 831 166.637 133.420 -41.526 0.00 0.00 N ATOM 17776 C4 A A 831 165.577 134.257 -41.684 0.00 0.00 C ATOM 17777 P G A 832 167.682 138.604 -45.539 0.00 0.00 P ATOM 17778 O1P G A 832 168.510 139.640 -46.193 0.00 0.00 O ATOM 17779 O2P G A 832 166.234 138.512 -45.809 0.00 0.00 O ATOM 17780 O5* G A 832 168.333 137.166 -45.831 0.00 0.00 O ATOM 17781 C5* G A 832 169.735 137.009 -45.892 0.00 0.00 C ATOM 17782 C4* G A 832 170.109 135.542 -46.104 0.00 0.00 C ATOM 17783 O4* G A 832 169.620 134.744 -45.027 0.00 0.00 O ATOM 17784 C3* G A 832 169.546 134.939 -47.390 0.00 0.00 C ATOM 17785 O3* G A 832 170.268 135.276 -48.561 0.00 0.00 O ATOM 17786 C2* G A 832 169.628 133.456 -47.028 0.00 0.00 C ATOM 17787 O2* G A 832 170.938 132.902 -47.044 0.00 0.00 O ATOM 17788 C1* G A 832 169.197 133.499 -45.568 0.00 0.00 C ATOM 17789 N9 G A 832 167.733 133.315 -45.475 0.00 0.00 N ATOM 17790 C8 G A 832 166.711 134.228 -45.400 0.00 0.00 C ATOM 17791 N7 G A 832 165.530 133.689 -45.261 0.00 0.00 N ATOM 17792 C5 G A 832 165.776 132.316 -45.330 0.00 0.00 C ATOM 17793 C6 G A 832 164.905 131.175 -45.290 0.00 0.00 C ATOM 17794 O6 G A 832 163.695 131.123 -45.125 0.00 0.00 O ATOM 17795 N1 G A 832 165.553 129.963 -45.460 0.00 0.00 N ATOM 17796 C2 G A 832 166.920 129.866 -45.633 0.00 0.00 C ATOM 17797 N2 G A 832 167.557 128.731 -45.822 0.00 0.00 N ATOM 17798 N3 G A 832 167.752 130.897 -45.634 0.00 0.00 N ATOM 17799 C4 G A 832 167.121 132.092 -45.487 0.00 0.00 C ATOM 17800 P G A 833 169.574 135.170 -50.009 0.00 0.00 P ATOM 17801 O1P G A 833 170.552 135.614 -51.025 0.00 0.00 O ATOM 17802 O2P G A 833 168.240 135.794 -49.922 0.00 0.00 O ATOM 17803 O5* G A 833 169.344 133.593 -50.181 0.00 0.00 O ATOM 17804 C5* G A 833 170.422 132.727 -50.466 0.00 0.00 C ATOM 17805 C4* G A 833 169.944 131.276 -50.429 0.00 0.00 C ATOM 17806 O4* G A 833 169.312 130.993 -49.185 0.00 0.00 O ATOM 17807 C3* G A 833 168.948 130.936 -51.536 0.00 0.00 C ATOM 17808 O3* G A 833 169.599 130.689 -52.774 0.00 0.00 O ATOM 17809 C2* G A 833 168.280 129.712 -50.908 0.00 0.00 C ATOM 17810 O2* G A 833 169.081 128.537 -50.952 0.00 0.00 O ATOM 17811 C1* G A 833 168.207 130.143 -49.442 0.00 0.00 C ATOM 17812 N9 G A 833 166.899 130.771 -49.134 0.00 0.00 N ATOM 17813 C8 G A 833 166.501 132.078 -48.993 0.00 0.00 C ATOM 17814 N7 G A 833 165.243 132.209 -48.653 0.00 0.00 N ATOM 17815 C5 G A 833 164.758 130.898 -48.586 0.00 0.00 C ATOM 17816 C6 G A 833 163.470 130.331 -48.257 0.00 0.00 C ATOM 17817 O6 G A 833 162.418 130.880 -47.946 0.00 0.00 O ATOM 17818 N1 G A 833 163.454 128.943 -48.322 0.00 0.00 N ATOM 17819 C2 G A 833 164.511 128.204 -48.777 0.00 0.00 C ATOM 17820 N2 G A 833 164.354 126.939 -49.062 0.00 0.00 N ATOM 17821 N3 G A 833 165.717 128.681 -49.024 0.00 0.00 N ATOM 17822 C4 G A 833 165.775 130.032 -48.911 0.00 0.00 C ATOM 17823 P U A 834 168.822 130.776 -54.180 0.00 0.00 P ATOM 17824 O1P U A 834 169.839 130.835 -55.252 0.00 0.00 O ATOM 17825 O2P U A 834 167.797 131.834 -54.076 0.00 0.00 O ATOM 17826 O5* U A 834 168.047 129.373 -54.291 0.00 0.00 O ATOM 17827 C5* U A 834 168.705 128.157 -54.591 0.00 0.00 C ATOM 17828 C4* U A 834 167.681 127.016 -54.689 0.00 0.00 C ATOM 17829 O4* U A 834 167.029 126.808 -53.439 0.00 0.00 O ATOM 17830 C3* U A 834 166.571 127.265 -55.712 0.00 0.00 C ATOM 17831 O3* U A 834 166.978 126.980 -57.040 0.00 0.00 O ATOM 17832 C2* U A 834 165.494 126.307 -55.189 0.00 0.00 C ATOM 17833 O2* U A 834 165.736 124.952 -55.553 0.00 0.00 O ATOM 17834 C1* U A 834 165.672 126.437 -53.672 0.00 0.00 C ATOM 17835 N1 U A 834 164.735 127.433 -53.072 0.00 0.00 N ATOM 17836 C2 U A 834 163.461 126.996 -52.682 0.00 0.00 C ATOM 17837 O2 U A 834 162.936 125.958 -53.082 0.00 0.00 O ATOM 17838 N3 U A 834 162.751 127.830 -51.841 0.00 0.00 N ATOM 17839 C4 U A 834 163.066 129.141 -51.575 0.00 0.00 C ATOM 17840 O4 U A 834 162.302 129.799 -50.894 0.00 0.00 O ATOM 17841 C5 U A 834 164.328 129.581 -52.124 0.00 0.00 C ATOM 17842 C6 U A 834 165.122 128.735 -52.828 0.00 0.00 C ATOM 17843 P U A 835 166.280 127.678 -58.301 0.00 0.00 P ATOM 17844 O1P U A 835 166.862 127.019 -59.489 0.00 0.00 O ATOM 17845 O2P U A 835 166.372 129.141 -58.138 0.00 0.00 O ATOM 17846 O5* U A 835 164.738 127.241 -58.226 0.00 0.00 O ATOM 17847 C5* U A 835 164.289 126.003 -58.748 0.00 0.00 C ATOM 17848 C4* U A 835 162.786 125.796 -58.515 0.00 0.00 C ATOM 17849 O4* U A 835 162.490 125.713 -57.119 0.00 0.00 O ATOM 17850 C3* U A 835 161.879 126.902 -59.064 0.00 0.00 C ATOM 17851 O3* U A 835 161.692 126.927 -60.476 0.00 0.00 O ATOM 17852 C2* U A 835 160.611 126.578 -58.263 0.00 0.00 C ATOM 17853 O2* U A 835 159.970 125.374 -58.681 0.00 0.00 O ATOM 17854 C1* U A 835 161.217 126.320 -56.878 0.00 0.00 C ATOM 17855 N1 U A 835 161.335 127.585 -56.087 0.00 0.00 N ATOM 17856 C2 U A 835 160.206 128.052 -55.396 0.00 0.00 C ATOM 17857 O2 U A 835 159.117 127.474 -55.411 0.00 0.00 O ATOM 17858 N3 U A 835 160.361 129.218 -54.660 0.00 0.00 N ATOM 17859 C4 U A 835 161.518 129.961 -54.557 0.00 0.00 C ATOM 17860 O4 U A 835 161.553 130.973 -53.879 0.00 0.00 O ATOM 17861 C5 U A 835 162.629 129.430 -55.307 0.00 0.00 C ATOM 17862 C6 U A 835 162.515 128.298 -56.043 0.00 0.00 C ATOM 17863 P G A 836 161.207 128.281 -61.220 0.00 0.00 P ATOM 17864 O1P G A 836 161.340 128.075 -62.689 0.00 0.00 O ATOM 17865 O2P G A 836 161.958 129.394 -60.608 0.00 0.00 O ATOM 17866 O5* G A 836 159.637 128.446 -60.773 0.00 0.00 O ATOM 17867 C5* G A 836 158.629 127.535 -61.189 0.00 0.00 C ATOM 17868 C4* G A 836 157.207 127.764 -60.628 0.00 0.00 C ATOM 17869 O4* G A 836 157.113 127.552 -59.214 0.00 0.00 O ATOM 17870 C3* G A 836 156.537 129.117 -60.876 0.00 0.00 C ATOM 17871 O3* G A 836 156.109 129.325 -62.213 0.00 0.00 O ATOM 17872 C2* G A 836 155.345 128.957 -59.918 0.00 0.00 C ATOM 17873 O2* G A 836 154.351 128.064 -60.413 0.00 0.00 O ATOM 17874 C1* G A 836 155.975 128.264 -58.710 0.00 0.00 C ATOM 17875 N9 G A 836 156.372 129.252 -57.677 0.00 0.00 N ATOM 17876 C8 G A 836 157.629 129.736 -57.425 0.00 0.00 C ATOM 17877 N7 G A 836 157.674 130.652 -56.501 0.00 0.00 N ATOM 17878 C5 G A 836 156.344 130.803 -56.101 0.00 0.00 C ATOM 17879 C6 G A 836 155.727 131.686 -55.143 0.00 0.00 C ATOM 17880 O6 G A 836 156.199 132.576 -54.444 0.00 0.00 O ATOM 17881 N1 G A 836 154.368 131.506 -55.026 0.00 0.00 N ATOM 17882 C2 G A 836 153.655 130.598 -55.733 0.00 0.00 C ATOM 17883 N2 G A 836 152.366 130.594 -55.476 0.00 0.00 N ATOM 17884 N3 G A 836 154.183 129.775 -56.650 0.00 0.00 N ATOM 17885 C4 G A 836 155.539 129.921 -56.796 0.00 0.00 C ATOM 17886 P U A 837 155.830 130.804 -62.789 0.00 0.00 P ATOM 17887 O1P U A 837 155.413 130.638 -64.198 0.00 0.00 O ATOM 17888 O2P U A 837 157.000 131.640 -62.442 0.00 0.00 O ATOM 17889 O5* U A 837 154.578 131.381 -61.947 0.00 0.00 O ATOM 17890 C5* U A 837 153.230 131.033 -62.203 0.00 0.00 C ATOM 17891 C4* U A 837 152.281 131.713 -61.193 0.00 0.00 C ATOM 17892 O4* U A 837 152.581 131.356 -59.838 0.00 0.00 O ATOM 17893 C3* U A 837 152.292 133.242 -61.240 0.00 0.00 C ATOM 17894 O3* U A 837 151.531 133.780 -62.313 0.00 0.00 O ATOM 17895 C2* U A 837 151.715 133.555 -59.853 0.00 0.00 C ATOM 17896 O2* U A 837 150.318 133.312 -59.739 0.00 0.00 O ATOM 17897 C1* U A 837 152.404 132.498 -58.989 0.00 0.00 C ATOM 17898 N1 U A 837 153.688 133.011 -58.422 0.00 0.00 N ATOM 17899 C2 U A 837 153.649 133.808 -57.264 0.00 0.00 C ATOM 17900 O2 U A 837 152.615 134.185 -56.711 0.00 0.00 O ATOM 17901 N3 U A 837 154.864 134.183 -56.720 0.00 0.00 N ATOM 17902 C4 U A 837 156.099 133.954 -57.287 0.00 0.00 C ATOM 17903 O4 U A 837 157.099 134.403 -56.754 0.00 0.00 O ATOM 17904 C5 U A 837 156.067 133.132 -58.472 0.00 0.00 C ATOM 17905 C6 U A 837 154.900 132.684 -58.994 0.00 0.00 C ATOM 17906 P G A 838 151.810 135.265 -62.875 0.00 0.00 P ATOM 17907 O1P G A 838 150.938 135.492 -64.046 0.00 0.00 O ATOM 17908 O2P G A 838 153.272 135.440 -62.981 0.00 0.00 O ATOM 17909 O5* G A 838 151.321 136.205 -61.672 0.00 0.00 O ATOM 17910 C5* G A 838 149.954 136.356 -61.346 0.00 0.00 C ATOM 17911 C4* G A 838 149.849 137.172 -60.056 0.00 0.00 C ATOM 17912 O4* G A 838 150.675 136.587 -59.052 0.00 0.00 O ATOM 17913 C3* G A 838 150.284 138.623 -60.248 0.00 0.00 C ATOM 17914 O3* G A 838 149.205 139.444 -60.659 0.00 0.00 O ATOM 17915 C2* G A 838 150.803 138.960 -58.850 0.00 0.00 C ATOM 17916 O2* G A 838 149.796 139.308 -57.912 0.00 0.00 O ATOM 17917 C1* G A 838 151.373 137.621 -58.382 0.00 0.00 C ATOM 17918 N9 G A 838 152.847 137.573 -58.540 0.00 0.00 N ATOM 17919 C8 G A 838 153.681 136.917 -59.413 0.00 0.00 C ATOM 17920 N7 G A 838 154.956 137.085 -59.150 0.00 0.00 N ATOM 17921 C5 G A 838 154.977 137.945 -58.044 0.00 0.00 C ATOM 17922 C6 G A 838 156.039 138.553 -57.270 0.00 0.00 C ATOM 17923 O6 G A 838 157.262 138.458 -57.368 0.00 0.00 O ATOM 17924 N1 G A 838 155.563 139.390 -56.270 0.00 0.00 N ATOM 17925 C2 G A 838 154.238 139.603 -56.022 0.00 0.00 C ATOM 17926 N2 G A 838 153.858 140.351 -55.023 0.00 0.00 N ATOM 17927 N3 G A 838 153.248 139.049 -56.694 0.00 0.00 N ATOM 17928 C4 G A 838 153.680 138.244 -57.695 0.00 0.00 C ATOM 17929 P C A 839 149.442 140.751 -61.558 0.00 0.00 P ATOM 17930 O1P C A 839 148.127 141.399 -61.759 0.00 0.00 O ATOM 17931 O2P C A 839 150.259 140.356 -62.722 0.00 0.00 O ATOM 17932 O5* C A 839 150.347 141.686 -60.596 0.00 0.00 O ATOM 17933 C5* C A 839 149.744 142.421 -59.547 0.00 0.00 C ATOM 17934 C4* C A 839 150.750 143.076 -58.586 0.00 0.00 C ATOM 17935 O4* C A 839 151.641 142.128 -57.990 0.00 0.00 O ATOM 17936 C3* C A 839 151.658 144.160 -59.166 0.00 0.00 C ATOM 17937 O3* C A 839 151.030 145.405 -59.422 0.00 0.00 O ATOM 17938 C2* C A 839 152.667 144.255 -58.016 0.00 0.00 C ATOM 17939 O2* C A 839 152.147 144.895 -56.855 0.00 0.00 O ATOM 17940 C1* C A 839 152.862 142.791 -57.635 0.00 0.00 C ATOM 17941 N1 C A 839 154.073 142.223 -58.304 0.00 0.00 N ATOM 17942 C2 C A 839 155.353 142.539 -57.806 0.00 0.00 C ATOM 17943 O2 C A 839 155.517 143.365 -56.903 0.00 0.00 O ATOM 17944 N3 C A 839 156.452 141.936 -58.335 0.00 0.00 N ATOM 17945 C4 C A 839 156.303 141.067 -59.329 0.00 0.00 C ATOM 17946 N4 C A 839 157.382 140.478 -59.786 0.00 0.00 N ATOM 17947 C5 C A 839 155.037 140.772 -59.911 0.00 0.00 C ATOM 17948 C6 C A 839 153.949 141.377 -59.379 0.00 0.00 C ATOM 17949 P C A 840 151.797 146.568 -60.233 0.00 0.00 P ATOM 17950 O1P C A 840 150.831 147.662 -60.455 0.00 0.00 O ATOM 17951 O2P C A 840 152.478 145.929 -61.379 0.00 0.00 O ATOM 17952 O5* C A 840 152.949 147.100 -59.231 0.00 0.00 O ATOM 17953 C5* C A 840 152.683 147.963 -58.139 0.00 0.00 C ATOM 17954 C4* C A 840 153.981 148.441 -57.456 0.00 0.00 C ATOM 17955 O4* C A 840 154.789 147.366 -56.962 0.00 0.00 O ATOM 17956 C3* C A 840 154.884 149.271 -58.367 0.00 0.00 C ATOM 17957 O3* C A 840 154.460 150.618 -58.501 0.00 0.00 O ATOM 17958 C2* C A 840 156.221 149.137 -57.629 0.00 0.00 C ATOM 17959 O2* C A 840 156.315 149.933 -56.451 0.00 0.00 O ATOM 17960 C1* C A 840 156.175 147.683 -57.161 0.00 0.00 C ATOM 17961 N1 C A 840 156.829 146.755 -58.135 0.00 0.00 N ATOM 17962 C2 C A 840 158.227 146.581 -58.106 0.00 0.00 C ATOM 17963 O2 C A 840 158.957 147.263 -57.378 0.00 0.00 O ATOM 17964 N3 C A 840 158.798 145.609 -58.870 0.00 0.00 N ATOM 17965 C4 C A 840 158.032 144.863 -59.666 0.00 0.00 C ATOM 17966 N4 C A 840 158.590 143.892 -60.346 0.00 0.00 N ATOM 17967 C5 C A 840 156.624 145.033 -59.756 0.00 0.00 C ATOM 17968 C6 C A 840 156.064 145.992 -58.986 0.00 0.00 C ATOM 17969 P C A 841 154.715 151.438 -59.861 0.00 0.00 P ATOM 17970 O1P C A 841 154.206 152.813 -59.663 0.00 0.00 O ATOM 17971 O2P C A 841 154.217 150.623 -60.984 0.00 0.00 O ATOM 17972 O5* C A 841 156.319 151.507 -59.954 0.00 0.00 O ATOM 17973 C5* C A 841 157.033 152.456 -59.192 0.00 0.00 C ATOM 17974 C4* C A 841 158.545 152.249 -59.253 0.00 0.00 C ATOM 17975 O4* C A 841 158.930 150.937 -58.857 0.00 0.00 O ATOM 17976 C3* C A 841 159.219 152.467 -60.605 0.00 0.00 C ATOM 17977 O3* C A 841 159.195 153.839 -60.994 0.00 0.00 O ATOM 17978 C2* C A 841 160.592 151.882 -60.234 0.00 0.00 C ATOM 17979 O2* C A 841 161.415 152.790 -59.540 0.00 0.00 O ATOM 17980 C1* C A 841 160.302 150.812 -59.194 0.00 0.00 C ATOM 17981 N1 C A 841 160.729 149.485 -59.696 0.00 0.00 N ATOM 17982 C2 C A 841 162.009 149.032 -59.348 0.00 0.00 C ATOM 17983 O2 C A 841 162.693 149.625 -58.516 0.00 0.00 O ATOM 17984 N3 C A 841 162.518 147.915 -59.925 0.00 0.00 N ATOM 17985 C4 C A 841 161.778 147.263 -60.809 0.00 0.00 C ATOM 17986 N4 C A 841 162.308 146.182 -61.307 0.00 0.00 N ATOM 17987 C5 C A 841 160.468 147.678 -61.187 0.00 0.00 C ATOM 17988 C6 C A 841 159.982 148.805 -60.621 0.00 0.00 C ATOM 17989 P U A 842 160.060 154.417 -62.225 0.00 0.00 P ATOM 17990 O1P U A 842 161.477 154.112 -61.914 0.00 0.00 O ATOM 17991 O2P U A 842 159.655 155.820 -62.445 0.00 0.00 O ATOM 17992 O5* U A 842 159.591 153.573 -63.520 0.00 0.00 O ATOM 17993 C5* U A 842 158.228 153.541 -63.933 0.00 0.00 C ATOM 17994 C4* U A 842 158.065 152.981 -65.355 0.00 0.00 C ATOM 17995 O4* U A 842 158.572 153.882 -66.329 0.00 0.00 O ATOM 17996 C3* U A 842 158.794 151.663 -65.573 0.00 0.00 C ATOM 17997 O3* U A 842 158.058 150.576 -65.043 0.00 0.00 O ATOM 17998 C2* U A 842 158.958 151.648 -67.097 0.00 0.00 C ATOM 17999 O2* U A 842 157.802 151.197 -67.794 0.00 0.00 O ATOM 18000 C1* U A 842 159.133 153.143 -67.408 0.00 0.00 C ATOM 18001 N1 U A 842 160.557 153.541 -67.615 0.00 0.00 N ATOM 18002 C2 U A 842 161.000 153.764 -68.925 0.00 0.00 C ATOM 18003 O2 U A 842 160.292 153.585 -69.911 0.00 0.00 O ATOM 18004 N3 U A 842 162.304 154.202 -69.091 0.00 0.00 N ATOM 18005 C4 U A 842 163.205 154.421 -68.070 0.00 0.00 C ATOM 18006 O4 U A 842 164.330 154.818 -68.334 0.00 0.00 O ATOM 18007 C5 U A 842 162.686 154.156 -66.744 0.00 0.00 C ATOM 18008 C6 U A 842 161.408 153.740 -66.550 0.00 0.00 C ATOM 18009 P U A 843 158.777 149.491 -64.112 0.00 0.00 P ATOM 18010 O1P U A 843 157.759 148.603 -63.520 0.00 0.00 O ATOM 18011 O2P U A 843 159.741 150.200 -63.245 0.00 0.00 O ATOM 18012 O5* U A 843 159.596 148.664 -65.211 0.00 0.00 O ATOM 18013 C5* U A 843 158.918 147.857 -66.157 0.00 0.00 C ATOM 18014 C4* U A 843 159.932 147.073 -66.986 0.00 0.00 C ATOM 18015 O4* U A 843 160.822 147.951 -67.667 0.00 0.00 O ATOM 18016 C3* U A 843 160.795 146.161 -66.119 0.00 0.00 C ATOM 18017 O3* U A 843 160.125 144.964 -65.749 0.00 0.00 O ATOM 18018 C2* U A 843 161.970 145.955 -67.079 0.00 0.00 C ATOM 18019 O2* U A 843 161.692 144.979 -68.076 0.00 0.00 O ATOM 18020 C1* U A 843 162.073 147.292 -67.816 0.00 0.00 C ATOM 18021 N1 U A 843 163.213 148.121 -67.331 0.00 0.00 N ATOM 18022 C2 U A 843 164.433 148.017 -68.011 0.00 0.00 C ATOM 18023 O2 U A 843 164.607 147.267 -68.965 0.00 0.00 O ATOM 18024 N3 U A 843 165.476 148.815 -67.576 0.00 0.00 N ATOM 18025 C4 U A 843 165.411 149.704 -66.524 0.00 0.00 C ATOM 18026 O4 U A 843 166.405 150.348 -66.220 0.00 0.00 O ATOM 18027 C5 U A 843 164.122 149.758 -65.865 0.00 0.00 C ATOM 18028 C6 U A 843 163.082 148.980 -66.264 0.00 0.00 C ATOM 18029 P G A 844 160.559 144.108 -64.455 0.00 0.00 P ATOM 18030 O1P G A 844 159.756 142.866 -64.441 0.00 0.00 O ATOM 18031 O2P G A 844 160.575 145.010 -63.277 0.00 0.00 O ATOM 18032 O5* G A 844 162.095 143.747 -64.739 0.00 0.00 O ATOM 18033 C5* G A 844 162.527 142.772 -65.665 0.00 0.00 C ATOM 18034 C4* G A 844 164.060 142.874 -65.781 0.00 0.00 C ATOM 18035 O4* G A 844 164.481 144.171 -66.202 0.00 0.00 O ATOM 18036 C3* G A 844 164.756 142.603 -64.452 0.00 0.00 C ATOM 18037 O3* G A 844 164.945 141.212 -64.262 0.00 0.00 O ATOM 18038 C2* G A 844 166.052 143.412 -64.606 0.00 0.00 C ATOM 18039 O2* G A 844 167.078 142.752 -65.339 0.00 0.00 O ATOM 18040 C1* G A 844 165.601 144.609 -65.440 0.00 0.00 C ATOM 18041 N9 G A 844 165.284 145.796 -64.599 0.00 0.00 N ATOM 18042 C8 G A 844 164.067 146.220 -64.123 0.00 0.00 C ATOM 18043 N7 G A 844 164.101 147.378 -63.530 0.00 0.00 N ATOM 18044 C5 G A 844 165.445 147.739 -63.549 0.00 0.00 C ATOM 18045 C6 G A 844 166.117 148.902 -63.034 0.00 0.00 C ATOM 18046 O6 G A 844 165.652 149.880 -62.461 0.00 0.00 O ATOM 18047 N1 G A 844 167.488 148.888 -63.234 0.00 0.00 N ATOM 18048 C2 G A 844 168.135 147.874 -63.889 0.00 0.00 C ATOM 18049 N2 G A 844 169.438 147.986 -64.049 0.00 0.00 N ATOM 18050 N3 G A 844 167.538 146.784 -64.392 0.00 0.00 N ATOM 18051 C4 G A 844 166.183 146.767 -64.189 0.00 0.00 C ATOM 18052 P A A 845 164.972 140.561 -62.800 0.00 0.00 P ATOM 18053 O1P A A 845 165.250 139.114 -62.960 0.00 0.00 O ATOM 18054 O2P A A 845 163.778 141.021 -62.067 0.00 0.00 O ATOM 18055 O5* A A 845 166.278 141.269 -62.191 0.00 0.00 O ATOM 18056 C5* A A 845 167.558 140.824 -62.581 0.00 0.00 C ATOM 18057 C4* A A 845 168.652 141.791 -62.126 0.00 0.00 C ATOM 18058 O4* A A 845 168.464 143.089 -62.683 0.00 0.00 O ATOM 18059 C3* A A 845 168.719 141.972 -60.618 0.00 0.00 C ATOM 18060 O3* A A 845 169.448 140.957 -59.954 0.00 0.00 O ATOM 18061 C2* A A 845 169.452 143.312 -60.554 0.00 0.00 C ATOM 18062 O2* A A 845 170.840 143.208 -60.871 0.00 0.00 O ATOM 18063 C1* A A 845 168.787 144.067 -61.702 0.00 0.00 C ATOM 18064 N9 A A 845 167.621 144.867 -61.231 0.00 0.00 N ATOM 18065 C8 A A 845 166.267 144.617 -61.260 0.00 0.00 C ATOM 18066 N7 A A 845 165.527 145.605 -60.819 0.00 0.00 N ATOM 18067 C5 A A 845 166.465 146.554 -60.395 0.00 0.00 C ATOM 18068 C6 A A 845 166.417 147.825 -59.760 0.00 0.00 C ATOM 18069 N6 A A 845 165.346 148.499 -59.392 0.00 0.00 N ATOM 18070 N1 A A 845 167.542 148.470 -59.446 0.00 0.00 N ATOM 18071 C2 A A 845 168.697 147.900 -59.745 0.00 0.00 C ATOM 18072 N3 A A 845 168.905 146.735 -60.349 0.00 0.00 N ATOM 18073 C4 A A 845 167.736 146.101 -60.642 0.00 0.00 C ATOM 18074 P G A 846 168.820 140.189 -58.693 0.00 0.00 P ATOM 18075 O1P G A 846 169.924 139.496 -58.000 0.00 0.00 O ATOM 18076 O2P G A 846 167.656 139.427 -59.182 0.00 0.00 O ATOM 18077 O5* G A 846 168.302 141.414 -57.770 0.00 0.00 O ATOM 18078 C5* G A 846 169.199 142.218 -57.020 0.00 0.00 C ATOM 18079 C4* G A 846 168.487 143.416 -56.373 0.00 0.00 C ATOM 18080 O4* G A 846 167.921 144.279 -57.359 0.00 0.00 O ATOM 18081 C3* G A 846 167.359 143.033 -55.418 0.00 0.00 C ATOM 18082 O3* G A 846 167.816 142.672 -54.126 0.00 0.00 O ATOM 18083 C2* G A 846 166.547 144.332 -55.425 0.00 0.00 C ATOM 18084 O2* G A 846 167.109 145.375 -54.636 0.00 0.00 O ATOM 18085 C1* G A 846 166.669 144.768 -56.882 0.00 0.00 C ATOM 18086 N9 G A 846 165.547 144.224 -57.681 0.00 0.00 N ATOM 18087 C8 G A 846 165.530 143.134 -58.512 0.00 0.00 C ATOM 18088 N7 G A 846 164.391 142.945 -59.115 0.00 0.00 N ATOM 18089 C5 G A 846 163.566 143.959 -58.626 0.00 0.00 C ATOM 18090 C6 G A 846 162.179 144.271 -58.871 0.00 0.00 C ATOM 18091 O6 G A 846 161.358 143.735 -59.613 0.00 0.00 O ATOM 18092 N1 G A 846 161.721 145.337 -58.117 0.00 0.00 N ATOM 18093 C2 G A 846 162.504 146.045 -57.249 0.00 0.00 C ATOM 18094 N2 G A 846 161.936 147.021 -56.576 0.00 0.00 N ATOM 18095 N3 G A 846 163.791 145.791 -57.004 0.00 0.00 N ATOM 18096 C4 G A 846 164.268 144.734 -57.726 0.00 0.00 C ATOM 18097 P G A 847 166.919 141.758 -53.155 0.00 0.00 P ATOM 18098 O1P G A 847 167.613 141.654 -51.857 0.00 0.00 O ATOM 18099 O2P G A 847 166.533 140.548 -53.905 0.00 0.00 O ATOM 18100 O5* G A 847 165.590 142.638 -52.952 0.00 0.00 O ATOM 18101 C5* G A 847 165.550 143.726 -52.048 0.00 0.00 C ATOM 18102 C4* G A 847 164.182 144.410 -52.132 0.00 0.00 C ATOM 18103 O4* G A 847 163.911 144.816 -53.470 0.00 0.00 O ATOM 18104 C3* G A 847 163.037 143.501 -51.694 0.00 0.00 C ATOM 18105 O3* G A 847 162.867 143.514 -50.286 0.00 0.00 O ATOM 18106 C2* G A 847 161.870 144.115 -52.471 0.00 0.00 C ATOM 18107 O2* G A 847 161.294 145.260 -51.866 0.00 0.00 O ATOM 18108 C1* G A 847 162.537 144.589 -53.755 0.00 0.00 C ATOM 18109 N9 G A 847 162.281 143.601 -54.832 0.00 0.00 N ATOM 18110 C8 G A 847 163.041 142.566 -55.313 0.00 0.00 C ATOM 18111 N7 G A 847 162.442 141.856 -56.236 0.00 0.00 N ATOM 18112 C5 G A 847 161.182 142.451 -56.380 0.00 0.00 C ATOM 18113 C6 G A 847 160.032 142.143 -57.206 0.00 0.00 C ATOM 18114 O6 G A 847 159.865 141.270 -58.059 0.00 0.00 O ATOM 18115 N1 G A 847 158.941 142.953 -56.937 0.00 0.00 N ATOM 18116 C2 G A 847 158.952 143.956 -56.009 0.00 0.00 C ATOM 18117 N2 G A 847 157.836 144.579 -55.724 0.00 0.00 N ATOM 18118 N3 G A 847 160.000 144.294 -55.269 0.00 0.00 N ATOM 18119 C4 G A 847 161.084 143.503 -55.495 0.00 0.00 C ATOM 18120 P C A 848 162.056 142.353 -49.529 0.00 0.00 P ATOM 18121 O1P C A 848 162.288 142.502 -48.080 0.00 0.00 O ATOM 18122 O2P C A 848 162.328 141.078 -50.222 0.00 0.00 O ATOM 18123 O5* C A 848 160.531 142.729 -49.831 0.00 0.00 O ATOM 18124 C5* C A 848 159.851 143.790 -49.198 0.00 0.00 C ATOM 18125 C4* C A 848 158.412 143.844 -49.736 0.00 0.00 C ATOM 18126 O4* C A 848 158.371 143.988 -51.158 0.00 0.00 O ATOM 18127 C3* C A 848 157.612 142.588 -49.394 0.00 0.00 C ATOM 18128 O3* C A 848 157.101 142.659 -48.071 0.00 0.00 O ATOM 18129 C2* C A 848 156.540 142.629 -50.488 0.00 0.00 C ATOM 18130 O2* C A 848 155.500 143.558 -50.222 0.00 0.00 O ATOM 18131 C1* C A 848 157.314 143.178 -51.688 0.00 0.00 C ATOM 18132 N1 C A 848 157.825 142.100 -52.596 0.00 0.00 N ATOM 18133 C2 C A 848 156.967 141.538 -53.557 0.00 0.00 C ATOM 18134 O2 C A 848 155.757 141.771 -53.553 0.00 0.00 O ATOM 18135 N3 C A 848 157.464 140.712 -54.521 0.00 0.00 N ATOM 18136 C4 C A 848 158.763 140.424 -54.519 0.00 0.00 C ATOM 18137 N4 C A 848 159.225 139.652 -55.474 0.00 0.00 N ATOM 18138 C5 C A 848 159.663 140.935 -53.545 0.00 0.00 C ATOM 18139 C6 C A 848 159.149 141.737 -52.584 0.00 0.00 C ATOM 18140 P G A 849 156.653 141.349 -47.272 0.00 0.00 P ATOM 18141 O1P G A 849 156.204 141.836 -45.940 0.00 0.00 O ATOM 18142 O2P G A 849 157.739 140.361 -47.378 0.00 0.00 O ATOM 18143 O5* G A 849 155.386 140.793 -48.090 0.00 0.00 O ATOM 18144 C5* G A 849 154.106 141.378 -47.947 0.00 0.00 C ATOM 18145 C4* G A 849 153.090 140.735 -48.899 0.00 0.00 C ATOM 18146 O4* G A 849 153.535 140.858 -50.247 0.00 0.00 O ATOM 18147 C3* G A 849 152.834 139.252 -48.633 0.00 0.00 C ATOM 18148 O3* G A 849 151.859 139.031 -47.627 0.00 0.00 O ATOM 18149 C2* G A 849 152.361 138.795 -50.017 0.00 0.00 C ATOM 18150 O2* G A 849 151.003 139.086 -50.309 0.00 0.00 O ATOM 18151 C1* G A 849 153.169 139.680 -50.951 0.00 0.00 C ATOM 18152 N9 G A 849 154.343 138.958 -51.478 0.00 0.00 N ATOM 18153 C8 G A 849 155.666 139.053 -51.134 0.00 0.00 C ATOM 18154 N7 G A 849 156.470 138.460 -51.973 0.00 0.00 N ATOM 18155 C5 G A 849 155.610 137.855 -52.896 0.00 0.00 C ATOM 18156 C6 G A 849 155.856 137.067 -54.072 0.00 0.00 C ATOM 18157 O6 G A 849 156.920 136.778 -54.596 0.00 0.00 O ATOM 18158 N1 G A 849 154.702 136.621 -54.706 0.00 0.00 N ATOM 18159 C2 G A 849 153.442 136.893 -54.234 0.00 0.00 C ATOM 18160 N2 G A 849 152.393 136.358 -54.815 0.00 0.00 N ATOM 18161 N3 G A 849 153.179 137.651 -53.175 0.00 0.00 N ATOM 18162 C4 G A 849 154.304 138.106 -52.551 0.00 0.00 C ATOM 18163 P U A 850 151.754 137.618 -46.873 0.00 0.00 P ATOM 18164 O1P U A 850 150.581 137.668 -45.975 0.00 0.00 O ATOM 18165 O2P U A 850 153.094 137.300 -46.342 0.00 0.00 O ATOM 18166 O5* U A 850 151.441 136.594 -48.079 0.00 0.00 O ATOM 18167 C5* U A 850 150.126 136.389 -48.560 0.00 0.00 C ATOM 18168 C4* U A 850 150.130 135.422 -49.751 0.00 0.00 C ATOM 18169 O4* U A 850 150.967 135.863 -50.821 0.00 0.00 O ATOM 18170 C3* U A 850 150.629 134.028 -49.396 0.00 0.00 C ATOM 18171 O3* U A 850 149.694 133.280 -48.645 0.00 0.00 O ATOM 18172 C2* U A 850 150.889 133.489 -50.806 0.00 0.00 C ATOM 18173 O2* U A 850 149.705 133.225 -51.551 0.00 0.00 O ATOM 18174 C1* U A 850 151.525 134.713 -51.467 0.00 0.00 C ATOM 18175 N1 U A 850 153.015 134.673 -51.387 0.00 0.00 N ATOM 18176 C2 U A 850 153.713 134.020 -52.412 0.00 0.00 C ATOM 18177 O2 U A 850 153.162 133.395 -53.321 0.00 0.00 O ATOM 18178 N3 U A 850 155.091 134.100 -52.373 0.00 0.00 N ATOM 18179 C4 U A 850 155.841 134.753 -51.421 0.00 0.00 C ATOM 18180 O4 U A 850 157.058 134.793 -51.513 0.00 0.00 O ATOM 18181 C5 U A 850 155.057 135.348 -50.363 0.00 0.00 C ATOM 18182 C6 U A 850 153.701 135.285 -50.360 0.00 0.00 C ATOM 18183 P G A 851 150.185 132.143 -47.622 0.00 0.00 P ATOM 18184 O1P G A 851 148.989 131.581 -46.957 0.00 0.00 O ATOM 18185 O2P G A 851 151.304 132.681 -46.826 0.00 0.00 O ATOM 18186 O5* G A 851 150.782 131.044 -48.623 0.00 0.00 O ATOM 18187 C5* G A 851 149.900 130.216 -49.336 0.00 0.00 C ATOM 18188 C4* G A 851 150.604 129.262 -50.280 0.00 0.00 C ATOM 18189 O4* G A 851 151.345 129.939 -51.307 0.00 0.00 O ATOM 18190 C3* G A 851 151.593 128.213 -49.729 0.00 0.00 C ATOM 18191 O3* G A 851 151.073 127.177 -48.886 0.00 0.00 O ATOM 18192 C2* G A 851 152.024 127.710 -51.116 0.00 0.00 C ATOM 18193 O2* G A 851 150.934 127.177 -51.841 0.00 0.00 O ATOM 18194 C1* G A 851 152.236 128.992 -51.909 0.00 0.00 C ATOM 18195 N9 G A 851 153.638 129.472 -51.912 0.00 0.00 N ATOM 18196 C8 G A 851 154.122 130.587 -51.285 0.00 0.00 C ATOM 18197 N7 G A 851 155.352 130.887 -51.593 0.00 0.00 N ATOM 18198 C5 G A 851 155.743 129.867 -52.467 0.00 0.00 C ATOM 18199 C6 G A 851 156.980 129.630 -53.172 0.00 0.00 C ATOM 18200 O6 G A 851 158.030 130.262 -53.209 0.00 0.00 O ATOM 18201 N1 G A 851 156.952 128.505 -53.963 0.00 0.00 N ATOM 18202 C2 G A 851 155.882 127.688 -54.083 0.00 0.00 C ATOM 18203 N2 G A 851 156.105 126.624 -54.821 0.00 0.00 N ATOM 18204 N3 G A 851 154.709 127.875 -53.469 0.00 0.00 N ATOM 18205 C4 G A 851 154.694 128.988 -52.666 0.00 0.00 C ATOM 18206 P G A 852 152.030 126.297 -47.903 0.00 0.00 P ATOM 18207 O1P G A 852 151.196 125.351 -47.127 0.00 0.00 O ATOM 18208 O2P G A 852 152.942 127.213 -47.189 0.00 0.00 O ATOM 18209 O5* G A 852 152.966 125.422 -48.870 0.00 0.00 O ATOM 18210 C5* G A 852 152.520 124.223 -49.476 0.00 0.00 C ATOM 18211 C4* G A 852 153.661 123.604 -50.290 0.00 0.00 C ATOM 18212 O4* G A 852 154.108 124.520 -51.277 0.00 0.00 O ATOM 18213 C3* G A 852 154.894 123.266 -49.446 0.00 0.00 C ATOM 18214 O3* G A 852 154.775 122.068 -48.689 0.00 0.00 O ATOM 18215 C2* G A 852 155.966 123.222 -50.540 0.00 0.00 C ATOM 18216 O2* G A 852 155.966 122.015 -51.294 0.00 0.00 O ATOM 18217 C1* G A 852 155.504 124.376 -51.437 0.00 0.00 C ATOM 18218 N9 G A 852 156.169 125.640 -51.058 0.00 0.00 N ATOM 18219 C8 G A 852 155.742 126.663 -50.248 0.00 0.00 C ATOM 18220 N7 G A 852 156.593 127.649 -50.151 0.00 0.00 N ATOM 18221 C5 G A 852 157.662 127.257 -50.961 0.00 0.00 C ATOM 18222 C6 G A 852 158.904 127.898 -51.303 0.00 0.00 C ATOM 18223 O6 G A 852 159.344 128.980 -50.948 0.00 0.00 O ATOM 18224 N1 G A 852 159.703 127.154 -52.157 0.00 0.00 N ATOM 18225 C2 G A 852 159.360 125.898 -52.586 0.00 0.00 C ATOM 18226 N2 G A 852 160.241 125.166 -53.220 0.00 0.00 N ATOM 18227 N3 G A 852 158.220 125.282 -52.302 0.00 0.00 N ATOM 18228 C4 G A 852 157.408 126.017 -51.496 0.00 0.00 C ATOM 18229 P C A 853 155.600 121.850 -47.329 0.00 0.00 P ATOM 18230 O1P C A 853 155.317 120.466 -46.870 0.00 0.00 O ATOM 18231 O2P C A 853 155.323 122.992 -46.416 0.00 0.00 O ATOM 18232 O5* C A 853 157.153 121.930 -47.784 0.00 0.00 O ATOM 18233 C5* C A 853 157.778 120.879 -48.511 0.00 0.00 C ATOM 18234 C4* C A 853 159.193 121.222 -49.001 0.00 0.00 C ATOM 18235 O4* C A 853 159.224 122.372 -49.842 0.00 0.00 O ATOM 18236 C3* C A 853 160.246 121.470 -47.920 0.00 0.00 C ATOM 18237 O3* C A 853 160.656 120.279 -47.271 0.00 0.00 O ATOM 18238 C2* C A 853 161.336 122.077 -48.812 0.00 0.00 C ATOM 18239 O2* C A 853 161.956 121.093 -49.631 0.00 0.00 O ATOM 18240 C1* C A 853 160.519 122.967 -49.752 0.00 0.00 C ATOM 18241 N1 C A 853 160.448 124.385 -49.285 0.00 0.00 N ATOM 18242 C2 C A 853 161.517 125.241 -49.573 0.00 0.00 C ATOM 18243 O2 C A 853 162.529 124.837 -50.127 0.00 0.00 O ATOM 18244 N3 C A 853 161.459 126.560 -49.243 0.00 0.00 N ATOM 18245 C4 C A 853 160.385 127.020 -48.613 0.00 0.00 C ATOM 18246 N4 C A 853 160.348 128.308 -48.356 0.00 0.00 N ATOM 18247 C5 C A 853 159.274 126.186 -48.285 0.00 0.00 C ATOM 18248 C6 C A 853 159.341 124.879 -48.639 0.00 0.00 C ATOM 18249 P U A 854 161.505 120.319 -45.906 0.00 0.00 P ATOM 18250 O1P U A 854 161.800 118.915 -45.549 0.00 0.00 O ATOM 18251 O2P U A 854 160.766 121.184 -44.963 0.00 0.00 O ATOM 18252 O5* U A 854 162.886 121.063 -46.282 0.00 0.00 O ATOM 18253 C5* U A 854 163.925 120.389 -46.973 0.00 0.00 C ATOM 18254 C4* U A 854 165.171 121.269 -47.116 0.00 0.00 C ATOM 18255 O4* U A 854 164.910 122.490 -47.801 0.00 0.00 O ATOM 18256 C3* U A 854 165.804 121.655 -45.780 0.00 0.00 C ATOM 18257 O3* U A 854 166.531 120.586 -45.188 0.00 0.00 O ATOM 18258 C2* U A 854 166.702 122.792 -46.276 0.00 0.00 C ATOM 18259 O2* U A 854 167.812 122.222 -46.962 0.00 0.00 O ATOM 18260 C1* U A 854 165.793 123.494 -47.297 0.00 0.00 C ATOM 18261 N1 U A 854 165.021 124.635 -46.708 0.00 0.00 N ATOM 18262 C2 U A 854 165.688 125.842 -46.436 0.00 0.00 C ATOM 18263 O2 U A 854 166.895 126.030 -46.561 0.00 0.00 O ATOM 18264 N3 U A 854 164.925 126.915 -46.033 0.00 0.00 N ATOM 18265 C4 U A 854 163.562 126.899 -45.862 0.00 0.00 C ATOM 18266 O4 U A 854 163.001 127.933 -45.549 0.00 0.00 O ATOM 18267 C5 U A 854 162.928 125.627 -46.119 0.00 0.00 C ATOM 18268 C6 U A 854 163.654 124.551 -46.519 0.00 0.00 C ATOM 18269 P U A 855 167.060 120.666 -43.674 0.00 0.00 P ATOM 18270 O1P U A 855 167.899 119.476 -43.415 0.00 0.00 O ATOM 18271 O2P U A 855 165.873 120.925 -42.832 0.00 0.00 O ATOM 18272 O5* U A 855 167.998 121.981 -43.574 0.00 0.00 O ATOM 18273 C5* U A 855 167.906 122.839 -42.448 0.00 0.00 C ATOM 18274 C4* U A 855 168.907 124.003 -42.502 0.00 0.00 C ATOM 18275 O4* U A 855 168.572 124.970 -43.498 0.00 0.00 O ATOM 18276 C3* U A 855 168.916 124.772 -41.180 0.00 0.00 C ATOM 18277 O3* U A 855 169.679 124.133 -40.168 0.00 0.00 O ATOM 18278 C2* U A 855 169.457 126.132 -41.638 0.00 0.00 C ATOM 18279 O2* U A 855 170.856 126.155 -41.887 0.00 0.00 O ATOM 18280 C1* U A 855 168.744 126.292 -42.982 0.00 0.00 C ATOM 18281 N1 U A 855 167.437 127.003 -42.832 0.00 0.00 N ATOM 18282 C2 U A 855 167.431 128.391 -42.621 0.00 0.00 C ATOM 18283 O2 U A 855 168.457 129.059 -42.508 0.00 0.00 O ATOM 18284 N3 U A 855 166.187 129.006 -42.555 0.00 0.00 N ATOM 18285 C4 U A 855 164.966 128.381 -42.674 0.00 0.00 C ATOM 18286 O4 U A 855 163.926 129.022 -42.652 0.00 0.00 O ATOM 18287 C5 U A 855 165.055 126.957 -42.852 0.00 0.00 C ATOM 18288 C6 U A 855 166.248 126.318 -42.934 0.00 0.00 C ATOM 18289 P C A 856 169.374 124.365 -38.607 0.00 0.00 P ATOM 18290 O1P C A 856 170.283 123.497 -37.829 0.00 0.00 O ATOM 18291 O2P C A 856 167.909 124.265 -38.412 0.00 0.00 O ATOM 18292 O5* C A 856 169.789 125.901 -38.370 0.00 0.00 O ATOM 18293 C5* C A 856 171.123 126.359 -38.464 0.00 0.00 C ATOM 18294 C4* C A 856 171.179 127.900 -38.428 0.00 0.00 C ATOM 18295 O4* C A 856 170.403 128.499 -39.469 0.00 0.00 O ATOM 18296 C3* C A 856 170.678 128.499 -37.117 0.00 0.00 C ATOM 18297 O3* C A 856 171.674 128.535 -36.112 0.00 0.00 O ATOM 18298 C2* C A 856 170.270 129.904 -37.565 0.00 0.00 C ATOM 18299 O2* C A 856 171.362 130.813 -37.706 0.00 0.00 O ATOM 18300 C1* C A 856 169.695 129.633 -38.958 0.00 0.00 C ATOM 18301 N1 C A 856 168.209 129.440 -38.929 0.00 0.00 N ATOM 18302 C2 C A 856 167.381 130.571 -38.800 0.00 0.00 C ATOM 18303 O2 C A 856 167.840 131.689 -38.546 0.00 0.00 O ATOM 18304 N3 C A 856 166.037 130.450 -38.964 0.00 0.00 N ATOM 18305 C4 C A 856 165.515 129.254 -39.219 0.00 0.00 C ATOM 18306 N4 C A 856 164.221 129.184 -39.412 0.00 0.00 N ATOM 18307 C5 C A 856 166.300 128.069 -39.281 0.00 0.00 C ATOM 18308 C6 C A 856 167.637 128.202 -39.118 0.00 0.00 C ATOM 18309 P C A 857 171.273 128.411 -34.564 0.00 0.00 P ATOM 18310 O1P C A 857 172.526 128.544 -33.781 0.00 0.00 O ATOM 18311 O2P C A 857 170.421 127.217 -34.426 0.00 0.00 O ATOM 18312 O5* C A 857 170.365 129.725 -34.312 0.00 0.00 O ATOM 18313 C5* C A 857 170.967 130.982 -34.066 0.00 0.00 C ATOM 18314 C4* C A 857 169.948 132.120 -33.911 0.00 0.00 C ATOM 18315 O4* C A 857 169.104 132.203 -35.055 0.00 0.00 O ATOM 18316 C3* C A 857 169.041 132.025 -32.680 0.00 0.00 C ATOM 18317 O3* C A 857 169.665 132.488 -31.480 0.00 0.00 O ATOM 18318 C2* C A 857 167.917 132.959 -33.144 0.00 0.00 C ATOM 18319 O2* C A 857 168.225 134.336 -32.957 0.00 0.00 O ATOM 18320 C1* C A 857 167.848 132.743 -34.657 0.00 0.00 C ATOM 18321 N1 C A 857 166.692 131.881 -35.035 0.00 0.00 N ATOM 18322 C2 C A 857 165.416 132.463 -35.108 0.00 0.00 C ATOM 18323 O2 C A 857 165.210 133.632 -34.763 0.00 0.00 O ATOM 18324 N3 C A 857 164.368 131.734 -35.564 0.00 0.00 N ATOM 18325 C4 C A 857 164.552 130.461 -35.899 0.00 0.00 C ATOM 18326 N4 C A 857 163.494 129.807 -36.312 0.00 0.00 N ATOM 18327 C5 C A 857 165.811 129.804 -35.769 0.00 0.00 C ATOM 18328 C6 C A 857 166.856 130.548 -35.331 0.00 0.00 C ATOM 18329 P G A 858 169.143 132.058 -30.011 0.00 0.00 P ATOM 18330 O1P G A 858 169.825 132.950 -29.021 0.00 0.00 O ATOM 18331 O2P G A 858 169.287 130.594 -29.911 0.00 0.00 O ATOM 18332 O5* G A 858 167.560 132.405 -30.003 0.00 0.00 O ATOM 18333 C5* G A 858 167.057 133.583 -29.405 0.00 0.00 C ATOM 18334 C4* G A 858 165.641 133.951 -29.873 0.00 0.00 C ATOM 18335 O4* G A 858 165.479 133.735 -31.266 0.00 0.00 O ATOM 18336 C3* G A 858 164.450 133.294 -29.147 0.00 0.00 C ATOM 18337 O3* G A 858 164.145 133.973 -27.929 0.00 0.00 O ATOM 18338 C2* G A 858 163.389 133.488 -30.234 0.00 0.00 C ATOM 18339 O2* G A 858 162.949 134.837 -30.329 0.00 0.00 O ATOM 18340 C1* G A 858 164.196 133.186 -31.496 0.00 0.00 C ATOM 18341 N9 G A 858 164.248 131.734 -31.797 0.00 0.00 N ATOM 18342 C8 G A 858 165.282 130.829 -31.752 0.00 0.00 C ATOM 18343 N7 G A 858 165.004 129.682 -32.306 0.00 0.00 N ATOM 18344 C5 G A 858 163.675 129.804 -32.705 0.00 0.00 C ATOM 18345 C6 G A 858 162.786 128.901 -33.383 0.00 0.00 C ATOM 18346 O6 G A 858 162.981 127.763 -33.792 0.00 0.00 O ATOM 18347 N1 G A 858 161.538 129.449 -33.606 0.00 0.00 N ATOM 18348 C2 G A 858 161.180 130.697 -33.218 0.00 0.00 C ATOM 18349 N2 G A 858 159.966 131.079 -33.486 0.00 0.00 N ATOM 18350 N3 G A 858 161.965 131.556 -32.581 0.00 0.00 N ATOM 18351 C4 G A 858 163.207 131.051 -32.363 0.00 0.00 C ATOM 18352 P G A 859 162.927 133.596 -26.923 0.00 0.00 P ATOM 18353 O1P G A 859 163.090 134.613 -25.848 0.00 0.00 O ATOM 18354 O2P G A 859 162.910 132.142 -26.583 0.00 0.00 O ATOM 18355 O5* G A 859 161.542 133.939 -27.661 0.00 0.00 O ATOM 18356 C5* G A 859 161.048 135.272 -27.807 0.00 0.00 C ATOM 18357 C4* G A 859 159.520 135.312 -27.899 0.00 0.00 C ATOM 18358 O4* G A 859 159.006 134.720 -29.078 0.00 0.00 O ATOM 18359 C3* G A 859 158.836 134.549 -26.777 0.00 0.00 C ATOM 18360 O3* G A 859 158.990 135.173 -25.514 0.00 0.00 O ATOM 18361 C2* G A 859 157.405 134.529 -27.316 0.00 0.00 C ATOM 18362 O2* G A 859 156.698 135.736 -27.066 0.00 0.00 O ATOM 18363 C1* G A 859 157.632 134.445 -28.829 0.00 0.00 C ATOM 18364 N9 G A 859 157.235 133.129 -29.369 0.00 0.00 N ATOM 18365 C8 G A 859 158.017 132.119 -29.868 0.00 0.00 C ATOM 18366 N7 G A 859 157.342 131.109 -30.344 0.00 0.00 N ATOM 18367 C5 G A 859 156.006 131.469 -30.137 0.00 0.00 C ATOM 18368 C6 G A 859 154.776 130.790 -30.442 0.00 0.00 C ATOM 18369 O6 G A 859 154.601 129.694 -30.965 0.00 0.00 O ATOM 18370 N1 G A 859 153.649 131.508 -30.072 0.00 0.00 N ATOM 18371 C2 G A 859 153.690 132.735 -29.473 0.00 0.00 C ATOM 18372 N2 G A 859 152.538 133.318 -29.222 0.00 0.00 N ATOM 18373 N3 G A 859 154.813 133.386 -29.162 0.00 0.00 N ATOM 18374 C4 G A 859 155.939 132.702 -29.526 0.00 0.00 C ATOM 18375 P A A 860 158.980 134.304 -24.180 0.00 0.00 P ATOM 18376 O1P A A 860 159.060 135.268 -23.068 0.00 0.00 O ATOM 18377 O2P A A 860 160.115 133.363 -24.334 0.00 0.00 O ATOM 18378 O5* A A 860 157.587 133.508 -24.197 0.00 0.00 O ATOM 18379 C5* A A 860 156.349 134.141 -23.919 0.00 0.00 C ATOM 18380 C4* A A 860 155.181 133.191 -24.220 0.00 0.00 C ATOM 18381 O4* A A 860 155.103 132.897 -25.612 0.00 0.00 O ATOM 18382 C3* A A 860 155.288 131.858 -23.483 0.00 0.00 C ATOM 18383 O3* A A 860 154.848 131.969 -22.131 0.00 0.00 O ATOM 18384 C2* A A 860 154.398 130.997 -24.395 0.00 0.00 C ATOM 18385 O2* A A 860 153.008 131.174 -24.133 0.00 0.00 O ATOM 18386 C1* A A 860 154.691 131.549 -25.789 0.00 0.00 C ATOM 18387 N9 A A 860 155.742 130.736 -26.456 0.00 0.00 N ATOM 18388 C8 A A 860 157.104 130.919 -26.468 0.00 0.00 C ATOM 18389 N7 A A 860 157.772 130.009 -27.130 0.00 0.00 N ATOM 18390 C5 A A 860 156.767 129.131 -27.561 0.00 0.00 C ATOM 18391 C6 A A 860 156.750 127.910 -28.281 0.00 0.00 C ATOM 18392 N6 A A 860 157.812 127.298 -28.774 0.00 0.00 N ATOM 18393 N1 A A 860 155.604 127.264 -28.519 0.00 0.00 N ATOM 18394 C2 A A 860 154.483 127.817 -28.067 0.00 0.00 C ATOM 18395 N3 A A 860 154.337 128.946 -27.375 0.00 0.00 N ATOM 18396 C4 A A 860 155.532 129.565 -27.152 0.00 0.00 C ATOM 18397 P G A 861 155.508 131.128 -20.928 0.00 0.00 P ATOM 18398 O1P G A 861 154.772 131.439 -19.680 0.00 0.00 O ATOM 18399 O2P G A 861 156.965 131.354 -20.930 0.00 0.00 O ATOM 18400 O5* G A 861 155.236 129.595 -21.294 0.00 0.00 O ATOM 18401 C5* G A 861 153.926 129.086 -21.430 0.00 0.00 C ATOM 18402 C4* G A 861 153.944 127.784 -22.237 0.00 0.00 C ATOM 18403 O4* G A 861 154.331 127.979 -23.591 0.00 0.00 O ATOM 18404 C3* G A 861 154.873 126.711 -21.680 0.00 0.00 C ATOM 18405 O3* G A 861 154.236 126.019 -20.620 0.00 0.00 O ATOM 18406 C2* G A 861 155.073 125.888 -22.957 0.00 0.00 C ATOM 18407 O2* G A 861 153.877 125.178 -23.256 0.00 0.00 O ATOM 18408 C1* G A 861 155.251 126.982 -24.008 0.00 0.00 C ATOM 18409 N9 G A 861 156.648 127.505 -24.134 0.00 0.00 N ATOM 18410 C8 G A 861 157.234 128.638 -23.614 0.00 0.00 C ATOM 18411 N7 G A 861 158.485 128.809 -23.953 0.00 0.00 N ATOM 18412 C5 G A 861 158.761 127.729 -24.790 0.00 0.00 C ATOM 18413 C6 G A 861 159.967 127.352 -25.487 0.00 0.00 C ATOM 18414 O6 G A 861 161.068 127.920 -25.519 0.00 0.00 O ATOM 18415 N1 G A 861 159.824 126.159 -26.181 0.00 0.00 N ATOM 18416 C2 G A 861 158.659 125.444 -26.233 0.00 0.00 C ATOM 18417 N2 G A 861 158.648 124.333 -26.925 0.00 0.00 N ATOM 18418 N3 G A 861 157.526 125.783 -25.624 0.00 0.00 N ATOM 18419 C4 G A 861 157.639 126.932 -24.902 0.00 0.00 C ATOM 18420 P C A 862 155.060 125.124 -19.597 0.00 0.00 P ATOM 18421 O1P C A 862 154.075 124.499 -18.687 0.00 0.00 O ATOM 18422 O2P C A 862 156.094 126.005 -19.006 0.00 0.00 O ATOM 18423 O5* C A 862 155.771 123.996 -20.489 0.00 0.00 O ATOM 18424 C5* C A 862 155.042 122.968 -21.145 0.00 0.00 C ATOM 18425 C4* C A 862 155.962 122.135 -22.056 0.00 0.00 C ATOM 18426 O4* C A 862 156.616 122.894 -23.072 0.00 0.00 O ATOM 18427 C3* C A 862 157.062 121.452 -21.259 0.00 0.00 C ATOM 18428 O3* C A 862 156.587 120.272 -20.620 0.00 0.00 O ATOM 18429 C2* C A 862 158.108 121.206 -22.353 0.00 0.00 C ATOM 18430 O2* C A 862 157.787 120.065 -23.137 0.00 0.00 O ATOM 18431 C1* C A 862 157.958 122.435 -23.254 0.00 0.00 C ATOM 18432 N1 C A 862 158.943 123.526 -22.970 0.00 0.00 N ATOM 18433 C2 C A 862 160.217 123.489 -23.570 0.00 0.00 C ATOM 18434 O2 C A 862 160.590 122.530 -24.251 0.00 0.00 O ATOM 18435 N3 C A 862 161.075 124.538 -23.404 0.00 0.00 N ATOM 18436 C4 C A 862 160.659 125.610 -22.739 0.00 0.00 C ATOM 18437 N4 C A 862 161.485 126.620 -22.630 0.00 0.00 N ATOM 18438 C5 C A 862 159.383 125.702 -22.125 0.00 0.00 C ATOM 18439 C6 C A 862 158.568 124.630 -22.241 0.00 0.00 C ATOM 18440 P U A 863 157.297 119.758 -19.277 0.00 0.00 P ATOM 18441 O1P U A 863 156.757 118.426 -18.903 0.00 0.00 O ATOM 18442 O2P U A 863 157.299 120.857 -18.293 0.00 0.00 O ATOM 18443 O5* U A 863 158.804 119.529 -19.753 0.00 0.00 O ATOM 18444 C5* U A 863 159.183 118.397 -20.516 0.00 0.00 C ATOM 18445 C4* U A 863 160.686 118.445 -20.765 0.00 0.00 C ATOM 18446 O4* U A 863 161.067 119.543 -21.585 0.00 0.00 O ATOM 18447 C3* U A 863 161.458 118.590 -19.460 0.00 0.00 C ATOM 18448 O3* U A 863 161.467 117.370 -18.735 0.00 0.00 O ATOM 18449 C2* U A 863 162.797 119.027 -20.044 0.00 0.00 C ATOM 18450 O2* U A 863 163.504 117.947 -20.620 0.00 0.00 O ATOM 18451 C1* U A 863 162.389 119.928 -21.218 0.00 0.00 C ATOM 18452 N1 U A 863 162.456 121.380 -20.887 0.00 0.00 N ATOM 18453 C2 U A 863 163.625 122.084 -21.209 0.00 0.00 C ATOM 18454 O2 U A 863 164.585 121.570 -21.784 0.00 0.00 O ATOM 18455 N3 U A 863 163.659 123.431 -20.874 0.00 0.00 N ATOM 18456 C4 U A 863 162.616 124.134 -20.299 0.00 0.00 C ATOM 18457 O4 U A 863 162.758 125.312 -19.976 0.00 0.00 O ATOM 18458 C5 U A 863 161.412 123.361 -20.079 0.00 0.00 C ATOM 18459 C6 U A 863 161.368 122.033 -20.351 0.00 0.00 C ATOM 18460 P A A 864 161.386 117.341 -17.140 0.00 0.00 P ATOM 18461 O1P A A 864 161.499 115.931 -16.720 0.00 0.00 O ATOM 18462 O2P A A 864 160.170 118.101 -16.759 0.00 0.00 O ATOM 18463 O5* A A 864 162.749 118.129 -16.763 0.00 0.00 O ATOM 18464 C5* A A 864 163.160 118.363 -15.429 0.00 0.00 C ATOM 18465 C4* A A 864 164.676 118.179 -15.264 0.00 0.00 C ATOM 18466 O4* A A 864 165.018 116.816 -15.471 0.00 0.00 O ATOM 18467 C3* A A 864 165.575 118.997 -16.191 0.00 0.00 C ATOM 18468 O3* A A 864 165.759 120.319 -15.699 0.00 0.00 O ATOM 18469 C2* A A 864 166.849 118.134 -16.096 0.00 0.00 C ATOM 18470 O2* A A 864 167.536 118.259 -14.850 0.00 0.00 O ATOM 18471 C1* A A 864 166.302 116.712 -16.071 0.00 0.00 C ATOM 18472 N9 A A 864 166.165 116.053 -17.397 0.00 0.00 N ATOM 18473 C8 A A 864 165.009 115.874 -18.119 0.00 0.00 C ATOM 18474 N7 A A 864 165.132 115.091 -19.154 0.00 0.00 N ATOM 18475 C5 A A 864 166.481 114.729 -19.132 0.00 0.00 C ATOM 18476 C6 A A 864 167.294 113.892 -19.940 0.00 0.00 C ATOM 18477 N6 A A 864 166.880 113.220 -21.002 0.00 0.00 N ATOM 18478 N1 A A 864 168.601 113.747 -19.691 0.00 0.00 N ATOM 18479 C2 A A 864 169.092 114.407 -18.650 0.00 0.00 C ATOM 18480 N3 A A 864 168.452 115.184 -17.768 0.00 0.00 N ATOM 18481 C4 A A 864 167.126 115.320 -18.074 0.00 0.00 C ATOM 18482 P A A 865 165.406 121.646 -16.541 0.00 0.00 P ATOM 18483 O1P A A 865 165.111 122.720 -15.573 0.00 0.00 O ATOM 18484 O2P A A 865 164.310 121.366 -17.496 0.00 0.00 O ATOM 18485 O5* A A 865 166.740 122.022 -17.346 0.00 0.00 O ATOM 18486 C5* A A 865 167.943 122.288 -16.647 0.00 0.00 C ATOM 18487 C4* A A 865 169.157 121.647 -17.322 0.00 0.00 C ATOM 18488 O4* A A 865 168.955 120.235 -17.381 0.00 0.00 O ATOM 18489 C3* A A 865 169.456 122.139 -18.744 0.00 0.00 C ATOM 18490 O3* A A 865 170.251 123.332 -18.814 0.00 0.00 O ATOM 18491 C2* A A 865 170.180 120.900 -19.278 0.00 0.00 C ATOM 18492 O2* A A 865 171.519 120.849 -18.813 0.00 0.00 O ATOM 18493 C1* A A 865 169.426 119.739 -18.625 0.00 0.00 C ATOM 18494 N9 A A 865 168.298 119.203 -19.438 0.00 0.00 N ATOM 18495 C8 A A 865 166.956 119.513 -19.390 0.00 0.00 C ATOM 18496 N7 A A 865 166.188 118.730 -20.102 0.00 0.00 N ATOM 18497 C5 A A 865 167.103 117.867 -20.713 0.00 0.00 C ATOM 18498 C6 A A 865 166.987 116.803 -21.637 0.00 0.00 C ATOM 18499 N6 A A 865 165.837 116.368 -22.122 0.00 0.00 N ATOM 18500 N1 A A 865 168.073 116.140 -22.060 0.00 0.00 N ATOM 18501 C2 A A 865 169.253 116.517 -21.581 0.00 0.00 C ATOM 18502 N3 A A 865 169.514 117.496 -20.717 0.00 0.00 N ATOM 18503 C4 A A 865 168.385 118.148 -20.320 0.00 0.00 C ATOM 18504 P C A 866 170.293 124.237 -20.147 0.00 0.00 P ATOM 18505 O1P C A 866 171.073 125.486 -19.907 0.00 0.00 O ATOM 18506 O2P C A 866 168.888 124.393 -20.572 0.00 0.00 O ATOM 18507 O5* C A 866 171.008 123.365 -21.295 0.00 0.00 O ATOM 18508 C5* C A 866 172.379 123.008 -21.316 0.00 0.00 C ATOM 18509 C4* C A 866 172.634 121.972 -22.437 0.00 0.00 C ATOM 18510 O4* C A 866 171.933 120.767 -22.163 0.00 0.00 O ATOM 18511 C3* C A 866 172.208 122.417 -23.844 0.00 0.00 C ATOM 18512 O3* C A 866 173.206 123.226 -24.464 0.00 0.00 O ATOM 18513 C2* C A 866 171.990 121.060 -24.545 0.00 0.00 C ATOM 18514 O2* C A 866 173.181 120.582 -25.170 0.00 0.00 O ATOM 18515 C1* C A 866 171.500 120.169 -23.383 0.00 0.00 C ATOM 18516 N1 C A 866 170.006 120.043 -23.395 0.00 0.00 N ATOM 18517 C2 C A 866 169.404 118.968 -24.074 0.00 0.00 C ATOM 18518 O2 C A 866 170.066 118.120 -24.681 0.00 0.00 O ATOM 18519 N3 C A 866 168.049 118.857 -24.094 0.00 0.00 N ATOM 18520 C4 C A 866 167.308 119.748 -23.445 0.00 0.00 C ATOM 18521 N4 C A 866 166.012 119.598 -23.465 0.00 0.00 N ATOM 18522 C5 C A 866 167.866 120.855 -22.753 0.00 0.00 C ATOM 18523 C6 C A 866 169.213 120.978 -22.767 0.00 0.00 C ATOM 18524 P G A 867 172.851 124.257 -25.629 0.00 0.00 P ATOM 18525 O1P G A 867 174.114 124.691 -26.269 0.00 0.00 O ATOM 18526 O2P G A 867 171.861 125.252 -25.189 0.00 0.00 O ATOM 18527 O5* G A 867 172.240 123.326 -26.770 0.00 0.00 O ATOM 18528 C5* G A 867 171.126 123.718 -27.547 0.00 0.00 C ATOM 18529 C4* G A 867 170.118 122.592 -27.457 0.00 0.00 C ATOM 18530 O4* G A 867 169.637 122.460 -26.128 0.00 0.00 O ATOM 18531 C3* G A 867 168.901 122.868 -28.317 0.00 0.00 C ATOM 18532 O3* G A 867 169.142 122.571 -29.680 0.00 0.00 O ATOM 18533 C2* G A 867 167.940 121.904 -27.636 0.00 0.00 C ATOM 18534 O2* G A 867 168.302 120.574 -27.973 0.00 0.00 O ATOM 18535 C1* G A 867 168.272 122.097 -26.152 0.00 0.00 C ATOM 18536 N9 G A 867 167.543 123.176 -25.434 0.00 0.00 N ATOM 18537 C8 G A 867 168.059 124.257 -24.756 0.00 0.00 C ATOM 18538 N7 G A 867 167.176 124.978 -24.115 0.00 0.00 N ATOM 18539 C5 G A 867 165.971 124.325 -24.386 0.00 0.00 C ATOM 18540 C6 G A 867 164.622 124.612 -23.972 0.00 0.00 C ATOM 18541 O6 G A 867 164.193 125.524 -23.260 0.00 0.00 O ATOM 18542 N1 G A 867 163.705 123.692 -24.451 0.00 0.00 N ATOM 18543 C2 G A 867 164.041 122.592 -25.187 0.00 0.00 C ATOM 18544 N2 G A 867 163.077 121.769 -25.522 0.00 0.00 N ATOM 18545 N3 G A 867 165.276 122.300 -25.586 0.00 0.00 N ATOM 18546 C4 G A 867 166.198 123.209 -25.167 0.00 0.00 C ATOM 18547 P C A 868 168.289 123.289 -30.824 0.00 0.00 P ATOM 18548 O1P C A 868 168.739 122.760 -32.130 0.00 0.00 O ATOM 18549 O2P C A 868 168.356 124.731 -30.526 0.00 0.00 O ATOM 18550 O5* C A 868 166.785 122.790 -30.565 0.00 0.00 O ATOM 18551 C5* C A 868 166.374 121.474 -30.876 0.00 0.00 C ATOM 18552 C4* C A 868 164.880 121.291 -30.577 0.00 0.00 C ATOM 18553 O4* C A 868 164.612 121.477 -29.192 0.00 0.00 O ATOM 18554 C3* C A 868 163.960 122.281 -31.277 0.00 0.00 C ATOM 18555 O3* C A 868 163.710 121.982 -32.633 0.00 0.00 O ATOM 18556 C2* C A 868 162.707 122.185 -30.399 0.00 0.00 C ATOM 18557 O2* C A 868 161.933 121.003 -30.536 0.00 0.00 O ATOM 18558 C1* C A 868 163.340 122.102 -29.019 0.00 0.00 C ATOM 18559 N1 C A 868 163.450 123.458 -28.418 0.00 0.00 N ATOM 18560 C2 C A 868 162.299 124.058 -27.876 0.00 0.00 C ATOM 18561 O2 C A 868 161.184 123.538 -27.954 0.00 0.00 O ATOM 18562 N3 C A 868 162.399 125.249 -27.231 0.00 0.00 N ATOM 18563 C4 C A 868 163.588 125.831 -27.144 0.00 0.00 C ATOM 18564 N4 C A 868 163.633 126.989 -26.537 0.00 0.00 N ATOM 18565 C5 C A 868 164.774 125.285 -27.701 0.00 0.00 C ATOM 18566 C6 C A 868 164.662 124.102 -28.343 0.00 0.00 C ATOM 18567 P G A 869 163.702 123.155 -33.722 0.00 0.00 P ATOM 18568 O1P G A 869 163.483 122.527 -35.036 0.00 0.00 O ATOM 18569 O2P G A 869 164.955 123.914 -33.547 0.00 0.00 O ATOM 18570 O5* G A 869 162.463 124.081 -33.290 0.00 0.00 O ATOM 18571 C5* G A 869 161.131 123.611 -33.294 0.00 0.00 C ATOM 18572 C4* G A 869 160.190 124.581 -32.560 0.00 0.00 C ATOM 18573 O4* G A 869 160.580 124.761 -31.202 0.00 0.00 O ATOM 18574 C3* G A 869 160.116 125.962 -33.189 0.00 0.00 C ATOM 18575 O3* G A 869 159.176 125.976 -34.246 0.00 0.00 O ATOM 18576 C2* G A 869 159.695 126.824 -31.991 0.00 0.00 C ATOM 18577 O2* G A 869 158.300 126.785 -31.734 0.00 0.00 O ATOM 18578 C1* G A 869 160.385 126.119 -30.821 0.00 0.00 C ATOM 18579 N9 G A 869 161.677 126.765 -30.485 0.00 0.00 N ATOM 18580 C8 G A 869 162.939 126.404 -30.887 0.00 0.00 C ATOM 18581 N7 G A 869 163.888 127.125 -30.368 0.00 0.00 N ATOM 18582 C5 G A 869 163.217 128.082 -29.615 0.00 0.00 C ATOM 18583 C6 G A 869 163.720 129.169 -28.822 0.00 0.00 C ATOM 18584 O6 G A 869 164.869 129.490 -28.540 0.00 0.00 O ATOM 18585 N1 G A 869 162.723 129.939 -28.272 0.00 0.00 N ATOM 18586 C2 G A 869 161.402 129.642 -28.353 0.00 0.00 C ATOM 18587 N2 G A 869 160.662 130.474 -27.657 0.00 0.00 N ATOM 18588 N3 G A 869 160.884 128.593 -29.015 0.00 0.00 N ATOM 18589 C4 G A 869 161.853 127.865 -29.665 0.00 0.00 C ATOM 18590 P U A 870 159.342 126.989 -35.466 0.00 0.00 P ATOM 18591 O1P U A 870 160.479 126.518 -36.278 0.00 0.00 O ATOM 18592 O2P U A 870 159.353 128.371 -34.918 0.00 0.00 O ATOM 18593 O5* U A 870 157.987 126.721 -36.304 0.00 0.00 O ATOM 18594 C5* U A 870 157.721 125.432 -36.852 0.00 0.00 C ATOM 18595 C4* U A 870 156.586 125.425 -37.891 0.00 0.00 C ATOM 18596 O4* U A 870 155.352 125.722 -37.247 0.00 0.00 O ATOM 18597 C3* U A 870 156.789 126.436 -39.032 0.00 0.00 C ATOM 18598 O3* U A 870 156.267 125.899 -40.251 0.00 0.00 O ATOM 18599 C2* U A 870 155.968 127.618 -38.501 0.00 0.00 C ATOM 18600 O2* U A 870 155.547 128.526 -39.507 0.00 0.00 O ATOM 18601 C1* U A 870 154.804 126.903 -37.813 0.00 0.00 C ATOM 18602 N1 U A 870 154.140 127.724 -36.761 0.00 0.00 N ATOM 18603 C2 U A 870 152.817 128.139 -36.961 0.00 0.00 C ATOM 18604 O2 U A 870 152.161 127.852 -37.957 0.00 0.00 O ATOM 18605 N3 U A 870 152.247 128.928 -35.977 0.00 0.00 N ATOM 18606 C4 U A 870 152.869 129.321 -34.811 0.00 0.00 C ATOM 18607 O4 U A 870 152.258 129.996 -33.997 0.00 0.00 O ATOM 18608 C5 U A 870 154.226 128.841 -34.659 0.00 0.00 C ATOM 18609 C6 U A 870 154.815 128.072 -35.611 0.00 0.00 C ATOM 18610 P U A 871 157.243 125.409 -41.442 0.00 0.00 P ATOM 18611 O1P U A 871 158.322 126.402 -41.603 0.00 0.00 O ATOM 18612 O2P U A 871 156.428 124.999 -42.630 0.00 0.00 O ATOM 18613 O5* U A 871 157.919 124.101 -40.788 0.00 0.00 O ATOM 18614 C5* U A 871 157.229 122.868 -40.734 0.00 0.00 C ATOM 18615 C4* U A 871 158.159 121.699 -40.395 0.00 0.00 C ATOM 18616 O4* U A 871 159.170 121.631 -41.387 0.00 0.00 O ATOM 18617 C3* U A 871 158.854 121.763 -39.026 0.00 0.00 C ATOM 18618 O3* U A 871 158.963 120.437 -38.526 0.00 0.00 O ATOM 18619 C2* U A 871 160.230 122.324 -39.387 0.00 0.00 C ATOM 18620 O2* U A 871 161.229 121.987 -38.432 0.00 0.00 O ATOM 18621 C1* U A 871 160.430 121.651 -40.741 0.00 0.00 C ATOM 18622 N1 U A 871 161.445 122.333 -41.576 0.00 0.00 N ATOM 18623 C2 U A 871 162.675 121.699 -41.717 0.00 0.00 C ATOM 18624 O2 U A 871 162.977 120.666 -41.124 0.00 0.00 O ATOM 18625 N3 U A 871 163.591 122.321 -42.526 0.00 0.00 N ATOM 18626 C4 U A 871 163.448 123.542 -43.129 0.00 0.00 C ATOM 18627 O4 U A 871 164.384 124.022 -43.748 0.00 0.00 O ATOM 18628 C5 U A 871 162.165 124.174 -42.907 0.00 0.00 C ATOM 18629 C6 U A 871 161.209 123.562 -42.157 0.00 0.00 C ATOM 18630 P A A 872 157.814 119.802 -37.616 0.00 0.00 P ATOM 18631 O1P A A 872 158.072 118.345 -37.491 0.00 0.00 O ATOM 18632 O2P A A 872 156.514 120.272 -38.132 0.00 0.00 O ATOM 18633 O5* A A 872 158.105 120.484 -36.190 0.00 0.00 O ATOM 18634 C5* A A 872 159.397 120.406 -35.605 0.00 0.00 C ATOM 18635 C4* A A 872 159.349 120.272 -34.081 0.00 0.00 C ATOM 18636 O4* A A 872 159.010 121.491 -33.428 0.00 0.00 O ATOM 18637 C3* A A 872 158.343 119.220 -33.605 0.00 0.00 C ATOM 18638 O3* A A 872 159.000 118.420 -32.641 0.00 0.00 O ATOM 18639 C2* A A 872 157.273 120.093 -32.942 0.00 0.00 C ATOM 18640 O2* A A 872 156.506 119.368 -31.997 0.00 0.00 O ATOM 18641 C1* A A 872 158.163 121.177 -32.338 0.00 0.00 C ATOM 18642 N9 A A 872 157.516 122.402 -31.785 0.00 0.00 N ATOM 18643 C8 A A 872 157.795 122.997 -30.574 0.00 0.00 C ATOM 18644 N7 A A 872 157.148 124.106 -30.342 0.00 0.00 N ATOM 18645 C5 A A 872 156.358 124.256 -31.487 0.00 0.00 C ATOM 18646 C6 A A 872 155.392 125.208 -31.897 0.00 0.00 C ATOM 18647 N6 A A 872 155.018 126.254 -31.178 0.00 0.00 N ATOM 18648 N1 A A 872 154.722 125.053 -33.046 0.00 0.00 N ATOM 18649 C2 A A 872 155.039 124.009 -33.809 0.00 0.00 C ATOM 18650 N3 A A 872 155.934 123.055 -33.564 0.00 0.00 N ATOM 18651 C4 A A 872 156.568 123.224 -32.370 0.00 0.00 C ATOM 18652 P A A 873 159.537 116.957 -32.991 0.00 0.00 P ATOM 18653 O1P A A 873 160.820 117.073 -33.734 0.00 0.00 O ATOM 18654 O2P A A 873 158.420 116.162 -33.547 0.00 0.00 O ATOM 18655 O5* A A 873 159.815 116.536 -31.463 0.00 0.00 O ATOM 18656 C5* A A 873 158.780 116.175 -30.563 0.00 0.00 C ATOM 18657 C4* A A 873 158.980 116.743 -29.142 0.00 0.00 C ATOM 18658 O4* A A 873 160.335 116.659 -28.688 0.00 0.00 O ATOM 18659 C3* A A 873 158.571 118.207 -29.005 0.00 0.00 C ATOM 18660 O3* A A 873 158.118 118.385 -27.668 0.00 0.00 O ATOM 18661 C2* A A 873 159.907 118.890 -29.273 0.00 0.00 C ATOM 18662 O2* A A 873 159.890 120.224 -28.809 0.00 0.00 O ATOM 18663 C1* A A 873 160.900 117.967 -28.558 0.00 0.00 C ATOM 18664 N9 A A 873 162.281 117.971 -29.125 0.00 0.00 N ATOM 18665 C8 A A 873 162.689 117.390 -30.302 0.00 0.00 C ATOM 18666 N7 A A 873 163.976 117.428 -30.511 0.00 0.00 N ATOM 18667 C5 A A 873 164.474 118.066 -29.379 0.00 0.00 C ATOM 18668 C6 A A 873 165.783 118.394 -28.946 0.00 0.00 C ATOM 18669 N6 A A 873 166.898 118.094 -29.600 0.00 0.00 N ATOM 18670 N1 A A 873 165.979 119.049 -27.800 0.00 0.00 N ATOM 18671 C2 A A 873 164.894 119.353 -27.086 0.00 0.00 C ATOM 18672 N3 A A 873 163.604 119.113 -27.359 0.00 0.00 N ATOM 18673 C4 A A 873 163.451 118.440 -28.540 0.00 0.00 C ATOM 18674 P G A 874 156.569 118.275 -27.281 0.00 0.00 P ATOM 18675 O1P G A 874 156.410 117.788 -25.893 0.00 0.00 O ATOM 18676 O2P G A 874 155.797 117.545 -28.324 0.00 0.00 O ATOM 18677 O5* G A 874 156.080 119.794 -27.269 0.00 0.00 O ATOM 18678 C5* G A 874 156.576 120.698 -26.284 0.00 0.00 C ATOM 18679 C4* G A 874 155.790 122.007 -26.262 0.00 0.00 C ATOM 18680 O4* G A 874 156.007 122.767 -27.436 0.00 0.00 O ATOM 18681 C3* G A 874 154.298 121.743 -26.118 0.00 0.00 C ATOM 18682 O3* G A 874 153.967 121.526 -24.756 0.00 0.00 O ATOM 18683 C2* G A 874 153.730 123.010 -26.752 0.00 0.00 C ATOM 18684 O2* G A 874 153.725 124.130 -25.868 0.00 0.00 O ATOM 18685 C1* G A 874 154.747 123.236 -27.889 0.00 0.00 C ATOM 18686 N9 G A 874 154.373 122.531 -29.145 0.00 0.00 N ATOM 18687 C8 G A 874 154.969 121.481 -29.799 0.00 0.00 C ATOM 18688 N7 G A 874 154.450 121.201 -30.970 0.00 0.00 N ATOM 18689 C5 G A 874 153.412 122.141 -31.107 0.00 0.00 C ATOM 18690 C6 G A 874 152.444 122.405 -32.152 0.00 0.00 C ATOM 18691 O6 G A 874 152.300 121.901 -33.267 0.00 0.00 O ATOM 18692 N1 G A 874 151.521 123.378 -31.797 0.00 0.00 N ATOM 18693 C2 G A 874 151.552 124.061 -30.612 0.00 0.00 C ATOM 18694 N2 G A 874 150.571 124.871 -30.311 0.00 0.00 N ATOM 18695 N3 G A 874 152.461 123.896 -29.665 0.00 0.00 N ATOM 18696 C4 G A 874 153.354 122.919 -29.967 0.00 0.00 C ATOM 18697 P U A 875 152.877 120.452 -24.322 0.00 0.00 P ATOM 18698 O1P U A 875 152.810 120.452 -22.845 0.00 0.00 O ATOM 18699 O2P U A 875 153.230 119.159 -24.964 0.00 0.00 O ATOM 18700 O5* U A 875 151.538 121.070 -24.933 0.00 0.00 O ATOM 18701 C5* U A 875 151.011 122.288 -24.427 0.00 0.00 C ATOM 18702 C4* U A 875 149.736 122.687 -25.171 0.00 0.00 C ATOM 18703 O4* U A 875 149.992 123.154 -26.484 0.00 0.00 O ATOM 18704 C3* U A 875 148.755 121.524 -25.289 0.00 0.00 C ATOM 18705 O3* U A 875 148.086 121.343 -24.056 0.00 0.00 O ATOM 18706 C2* U A 875 147.876 122.040 -26.423 0.00 0.00 C ATOM 18707 O2* U A 875 146.936 122.967 -25.902 0.00 0.00 O ATOM 18708 C1* U A 875 148.913 122.749 -27.318 0.00 0.00 C ATOM 18709 N1 U A 875 149.432 121.875 -28.408 0.00 0.00 N ATOM 18710 C2 U A 875 148.787 121.931 -29.647 0.00 0.00 C ATOM 18711 O2 U A 875 147.800 122.641 -29.856 0.00 0.00 O ATOM 18712 N3 U A 875 149.319 121.146 -30.653 0.00 0.00 N ATOM 18713 C4 U A 875 150.447 120.360 -30.564 0.00 0.00 C ATOM 18714 O4 U A 875 150.826 119.702 -31.528 0.00 0.00 O ATOM 18715 C5 U A 875 151.081 120.378 -29.264 0.00 0.00 C ATOM 18716 C6 U A 875 150.566 121.103 -28.240 0.00 0.00 C ATOM 18717 P C A 876 147.369 119.968 -23.690 0.00 0.00 P ATOM 18718 O1P C A 876 146.803 120.271 -22.357 0.00 0.00 O ATOM 18719 O2P C A 876 148.428 118.949 -23.790 0.00 0.00 O ATOM 18720 O5* C A 876 146.229 119.764 -24.808 0.00 0.00 O ATOM 18721 C5* C A 876 146.127 118.544 -25.522 0.00 0.00 C ATOM 18722 C4* C A 876 145.189 118.664 -26.730 0.00 0.00 C ATOM 18723 O4* C A 876 145.773 119.363 -27.835 0.00 0.00 O ATOM 18724 C3* C A 876 144.827 117.283 -27.262 0.00 0.00 C ATOM 18725 O3* C A 876 143.847 116.657 -26.445 0.00 0.00 O ATOM 18726 C2* C A 876 144.385 117.657 -28.682 0.00 0.00 C ATOM 18727 O2* C A 876 143.136 118.334 -28.758 0.00 0.00 O ATOM 18728 C1* C A 876 145.421 118.712 -29.063 0.00 0.00 C ATOM 18729 N1 C A 876 146.611 118.138 -29.766 0.00 0.00 N ATOM 18730 C2 C A 876 146.511 117.769 -31.124 0.00 0.00 C ATOM 18731 O2 C A 876 145.439 117.814 -31.736 0.00 0.00 O ATOM 18732 N3 C A 876 147.620 117.373 -31.801 0.00 0.00 N ATOM 18733 C4 C A 876 148.785 117.336 -31.167 0.00 0.00 C ATOM 18734 N4 C A 876 149.843 117.062 -31.889 0.00 0.00 N ATOM 18735 C5 C A 876 148.940 117.681 -29.792 0.00 0.00 C ATOM 18736 C6 C A 876 147.827 118.067 -29.127 0.00 0.00 C ATOM 18737 P G A 877 143.937 115.091 -26.062 0.00 0.00 P ATOM 18738 O1P G A 877 142.960 114.803 -24.990 0.00 0.00 O ATOM 18739 O2P G A 877 145.359 114.727 -25.903 0.00 0.00 O ATOM 18740 O5* G A 877 143.394 114.451 -27.418 0.00 0.00 O ATOM 18741 C5* G A 877 142.046 114.616 -27.821 0.00 0.00 C ATOM 18742 C4* G A 877 141.952 114.315 -29.308 0.00 0.00 C ATOM 18743 O4* G A 877 142.795 115.191 -30.057 0.00 0.00 O ATOM 18744 C3* G A 877 142.428 112.902 -29.632 0.00 0.00 C ATOM 18745 O3* G A 877 141.513 111.859 -29.345 0.00 0.00 O ATOM 18746 C2* G A 877 142.671 113.095 -31.120 0.00 0.00 C ATOM 18747 O2* G A 877 141.470 113.200 -31.878 0.00 0.00 O ATOM 18748 C1* G A 877 143.316 114.482 -31.178 0.00 0.00 C ATOM 18749 N9 G A 877 144.807 114.411 -31.217 0.00 0.00 N ATOM 18750 C8 G A 877 145.723 114.401 -30.194 0.00 0.00 C ATOM 18751 N7 G A 877 146.968 114.274 -30.585 0.00 0.00 N ATOM 18752 C5 G A 877 146.885 114.154 -31.977 0.00 0.00 C ATOM 18753 C6 G A 877 147.877 113.920 -33.007 0.00 0.00 C ATOM 18754 O6 G A 877 149.098 113.803 -32.926 0.00 0.00 O ATOM 18755 N1 G A 877 147.334 113.768 -34.275 0.00 0.00 N ATOM 18756 C2 G A 877 146.011 113.884 -34.536 0.00 0.00 C ATOM 18757 N2 G A 877 145.616 113.544 -35.736 0.00 0.00 N ATOM 18758 N3 G A 877 145.088 114.166 -33.624 0.00 0.00 N ATOM 18759 C4 G A 877 145.567 114.264 -32.358 0.00 0.00 C ATOM 18760 P A A 878 142.034 110.345 -29.109 0.00 0.00 P ATOM 18761 O1P A A 878 140.948 109.619 -28.427 0.00 0.00 O ATOM 18762 O2P A A 878 143.370 110.408 -28.483 0.00 0.00 O ATOM 18763 O5* A A 878 142.245 109.770 -30.614 0.00 0.00 O ATOM 18764 C5* A A 878 141.154 109.548 -31.484 0.00 0.00 C ATOM 18765 C4* A A 878 141.514 108.922 -32.833 0.00 0.00 C ATOM 18766 O4* A A 878 142.258 109.862 -33.581 0.00 0.00 O ATOM 18767 C3* A A 878 142.320 107.625 -32.801 0.00 0.00 C ATOM 18768 O3* A A 878 141.484 106.480 -32.602 0.00 0.00 O ATOM 18769 C2* A A 878 143.001 107.718 -34.187 0.00 0.00 C ATOM 18770 O2* A A 878 142.147 107.358 -35.270 0.00 0.00 O ATOM 18771 C1* A A 878 143.282 109.220 -34.321 0.00 0.00 C ATOM 18772 N9 A A 878 144.620 109.634 -33.819 0.00 0.00 N ATOM 18773 C8 A A 878 144.972 110.068 -32.562 0.00 0.00 C ATOM 18774 N7 A A 878 146.214 110.452 -32.453 0.00 0.00 N ATOM 18775 C5 A A 878 146.734 110.249 -33.733 0.00 0.00 C ATOM 18776 C6 A A 878 148.013 110.420 -34.313 0.00 0.00 C ATOM 18777 N6 A A 878 149.071 110.860 -33.653 0.00 0.00 N ATOM 18778 N1 A A 878 148.217 110.129 -35.603 0.00 0.00 N ATOM 18779 C2 A A 878 147.181 109.676 -36.305 0.00 0.00 C ATOM 18780 N3 A A 878 145.936 109.440 -35.889 0.00 0.00 N ATOM 18781 C4 A A 878 145.771 109.753 -34.573 0.00 0.00 C ATOM 18782 P C A 879 141.991 105.176 -31.784 0.00 0.00 P ATOM 18783 O1P C A 879 140.953 104.101 -31.800 0.00 0.00 O ATOM 18784 O2P C A 879 142.589 105.617 -30.509 0.00 0.00 O ATOM 18785 O5* C A 879 143.173 104.676 -32.729 0.00 0.00 O ATOM 18786 C5* C A 879 142.865 103.912 -33.872 0.00 0.00 C ATOM 18787 C4* C A 879 144.082 103.716 -34.773 0.00 0.00 C ATOM 18788 O4* C A 879 144.582 104.950 -35.297 0.00 0.00 O ATOM 18789 C3* C A 879 145.251 103.062 -34.065 0.00 0.00 C ATOM 18790 O3* C A 879 145.038 101.684 -33.770 0.00 0.00 O ATOM 18791 C2* C A 879 146.347 103.402 -35.086 0.00 0.00 C ATOM 18792 O2* C A 879 146.268 102.655 -36.299 0.00 0.00 O ATOM 18793 C1* C A 879 146.007 104.861 -35.408 0.00 0.00 C ATOM 18794 N1 C A 879 146.734 105.798 -34.487 0.00 0.00 N ATOM 18795 C2 C A 879 148.031 106.227 -34.827 0.00 0.00 C ATOM 18796 O2 C A 879 148.546 105.933 -35.902 0.00 0.00 O ATOM 18797 N3 C A 879 148.759 106.978 -33.957 0.00 0.00 N ATOM 18798 C4 C A 879 148.215 107.338 -32.801 0.00 0.00 C ATOM 18799 N4 C A 879 148.944 108.074 -31.996 0.00 0.00 N ATOM 18800 C5 C A 879 146.891 106.969 -32.427 0.00 0.00 C ATOM 18801 C6 C A 879 146.191 106.193 -33.287 0.00 0.00 C ATOM 18802 P C A 880 145.919 100.975 -32.629 0.00 0.00 P ATOM 18803 O1P C A 880 145.350 99.635 -32.306 0.00 0.00 O ATOM 18804 O2P C A 880 146.124 101.968 -31.545 0.00 0.00 O ATOM 18805 O5* C A 880 147.295 100.764 -33.427 0.00 0.00 O ATOM 18806 C5* C A 880 147.362 99.985 -34.613 0.00 0.00 C ATOM 18807 C4* C A 880 148.715 100.181 -35.306 0.00 0.00 C ATOM 18808 O4* C A 880 148.992 101.548 -35.620 0.00 0.00 O ATOM 18809 C3* C A 880 149.866 99.712 -34.438 0.00 0.00 C ATOM 18810 O3* C A 880 149.923 98.295 -34.398 0.00 0.00 O ATOM 18811 C2* C A 880 151.034 100.437 -35.114 0.00 0.00 C ATOM 18812 O2* C A 880 151.404 99.879 -36.361 0.00 0.00 O ATOM 18813 C1* C A 880 150.391 101.796 -35.417 0.00 0.00 C ATOM 18814 N1 C A 880 150.661 102.800 -34.337 0.00 0.00 N ATOM 18815 C2 C A 880 151.866 103.519 -34.374 0.00 0.00 C ATOM 18816 O2 C A 880 152.707 103.295 -35.246 0.00 0.00 O ATOM 18817 N3 C A 880 152.159 104.433 -33.402 0.00 0.00 N ATOM 18818 C4 C A 880 151.278 104.638 -32.424 0.00 0.00 C ATOM 18819 N4 C A 880 151.576 105.528 -31.500 0.00 0.00 N ATOM 18820 C5 C A 880 150.058 103.908 -32.326 0.00 0.00 C ATOM 18821 C6 C A 880 149.787 102.999 -33.295 0.00 0.00 C ATOM 18822 P G A 881 150.382 97.549 -33.065 0.00 0.00 P ATOM 18823 O1P G A 881 150.156 96.097 -33.227 0.00 0.00 O ATOM 18824 O2P G A 881 149.706 98.240 -31.936 0.00 0.00 O ATOM 18825 O5* G A 881 151.958 97.896 -33.069 0.00 0.00 O ATOM 18826 C5* G A 881 152.819 97.444 -34.112 0.00 0.00 C ATOM 18827 C4* G A 881 154.219 98.060 -34.001 0.00 0.00 C ATOM 18828 O4* G A 881 154.190 99.472 -34.198 0.00 0.00 O ATOM 18829 C3* G A 881 154.877 97.823 -32.643 0.00 0.00 C ATOM 18830 O3* G A 881 155.353 96.491 -32.469 0.00 0.00 O ATOM 18831 C2* G A 881 155.947 98.923 -32.700 0.00 0.00 C ATOM 18832 O2* G A 881 157.036 98.644 -33.576 0.00 0.00 O ATOM 18833 C1* G A 881 155.143 100.067 -33.326 0.00 0.00 C ATOM 18834 N9 G A 881 154.463 100.886 -32.291 0.00 0.00 N ATOM 18835 C8 G A 881 153.139 100.953 -31.939 0.00 0.00 C ATOM 18836 N7 G A 881 152.870 101.821 -30.995 0.00 0.00 N ATOM 18837 C5 G A 881 154.125 102.357 -30.671 0.00 0.00 C ATOM 18838 C6 G A 881 154.545 103.327 -29.685 0.00 0.00 C ATOM 18839 O6 G A 881 153.884 103.988 -28.879 0.00 0.00 O ATOM 18840 N1 G A 881 155.920 103.497 -29.658 0.00 0.00 N ATOM 18841 C2 G A 881 156.790 102.865 -30.501 0.00 0.00 C ATOM 18842 N2 G A 881 158.066 103.128 -30.382 0.00 0.00 N ATOM 18843 N3 G A 881 156.436 101.994 -31.435 0.00 0.00 N ATOM 18844 C4 G A 881 155.094 101.771 -31.460 0.00 0.00 C ATOM 18845 P C A 882 155.421 95.802 -31.012 0.00 0.00 P ATOM 18846 O1P C A 882 155.969 94.436 -31.140 0.00 0.00 O ATOM 18847 O2P C A 882 154.115 95.987 -30.330 0.00 0.00 O ATOM 18848 O5* C A 882 156.521 96.713 -30.290 0.00 0.00 O ATOM 18849 C5* C A 882 157.863 96.743 -30.741 0.00 0.00 C ATOM 18850 C4* C A 882 158.644 97.812 -29.983 0.00 0.00 C ATOM 18851 O4* C A 882 158.129 99.134 -30.171 0.00 0.00 O ATOM 18852 C3* C A 882 158.645 97.568 -28.477 0.00 0.00 C ATOM 18853 O3* C A 882 159.528 96.540 -28.050 0.00 0.00 O ATOM 18854 C2* C A 882 159.082 98.962 -28.045 0.00 0.00 C ATOM 18855 O2* C A 882 160.447 99.135 -28.396 0.00 0.00 O ATOM 18856 C1* C A 882 158.218 99.855 -28.942 0.00 0.00 C ATOM 18857 N1 C A 882 156.867 100.145 -28.354 0.00 0.00 N ATOM 18858 C2 C A 882 156.758 101.105 -27.332 0.00 0.00 C ATOM 18859 O2 C A 882 157.757 101.670 -26.870 0.00 0.00 O ATOM 18860 N3 C A 882 155.532 101.423 -26.821 0.00 0.00 N ATOM 18861 C4 C A 882 154.446 100.842 -27.323 0.00 0.00 C ATOM 18862 N4 C A 882 153.280 101.216 -26.844 0.00 0.00 N ATOM 18863 C5 C A 882 154.503 99.866 -28.356 0.00 0.00 C ATOM 18864 C6 C A 882 155.727 99.542 -28.838 0.00 0.00 C ATOM 18865 P C A 883 159.482 96.052 -26.532 0.00 0.00 P ATOM 18866 O1P C A 883 160.348 94.873 -26.341 0.00 0.00 O ATOM 18867 O2P C A 883 158.067 95.859 -26.152 0.00 0.00 O ATOM 18868 O5* C A 883 160.020 97.241 -25.607 0.00 0.00 O ATOM 18869 C5* C A 883 161.358 97.709 -25.628 0.00 0.00 C ATOM 18870 C4* C A 883 161.544 98.772 -24.537 0.00 0.00 C ATOM 18871 O4* C A 883 160.659 99.896 -24.624 0.00 0.00 O ATOM 18872 C3* C A 883 161.354 98.185 -23.145 0.00 0.00 C ATOM 18873 O3* C A 883 162.487 97.419 -22.754 0.00 0.00 O ATOM 18874 C2* C A 883 161.184 99.494 -22.374 0.00 0.00 C ATOM 18875 O2* C A 883 162.456 100.128 -22.279 0.00 0.00 O ATOM 18876 C1* C A 883 160.303 100.342 -23.306 0.00 0.00 C ATOM 18877 N1 C A 883 158.815 100.232 -23.097 0.00 0.00 N ATOM 18878 C2 C A 883 158.150 101.065 -22.166 0.00 0.00 C ATOM 18879 O2 C A 883 158.762 101.784 -21.373 0.00 0.00 O ATOM 18880 N3 C A 883 156.783 101.102 -22.132 0.00 0.00 N ATOM 18881 C4 C A 883 156.094 100.357 -22.993 0.00 0.00 C ATOM 18882 N4 C A 883 154.783 100.435 -23.000 0.00 0.00 N ATOM 18883 C5 C A 883 156.713 99.506 -23.945 0.00 0.00 C ATOM 18884 C6 C A 883 158.064 99.467 -23.961 0.00 0.00 C ATOM 18885 P U A 884 162.376 96.285 -21.626 0.00 0.00 P ATOM 18886 O1P U A 884 163.716 95.731 -21.341 0.00 0.00 O ATOM 18887 O2P U A 884 161.269 95.369 -21.991 0.00 0.00 O ATOM 18888 O5* U A 884 161.898 97.098 -20.330 0.00 0.00 O ATOM 18889 C5* U A 884 162.750 97.990 -19.621 0.00 0.00 C ATOM 18890 C4* U A 884 162.084 98.358 -18.287 0.00 0.00 C ATOM 18891 O4* U A 884 160.882 99.076 -18.538 0.00 0.00 O ATOM 18892 C3* U A 884 161.737 97.079 -17.502 0.00 0.00 C ATOM 18893 O3* U A 884 162.007 97.209 -16.115 0.00 0.00 O ATOM 18894 C2* U A 884 160.238 96.953 -17.781 0.00 0.00 C ATOM 18895 O2* U A 884 159.527 96.198 -16.810 0.00 0.00 O ATOM 18896 C1* U A 884 159.826 98.429 -17.857 0.00 0.00 C ATOM 18897 N1 U A 884 158.530 98.712 -18.542 0.00 0.00 N ATOM 18898 C2 U A 884 157.712 99.725 -18.021 0.00 0.00 C ATOM 18899 O2 U A 884 158.015 100.460 -17.082 0.00 0.00 O ATOM 18900 N3 U A 884 156.475 99.883 -18.604 0.00 0.00 N ATOM 18901 C4 U A 884 155.962 99.154 -19.648 0.00 0.00 C ATOM 18902 O4 U A 884 154.813 99.351 -20.022 0.00 0.00 O ATOM 18903 C5 U A 884 156.888 98.185 -20.196 0.00 0.00 C ATOM 18904 C6 U A 884 158.119 97.995 -19.650 0.00 0.00 C ATOM 18905 P G A 885 163.031 96.207 -15.380 0.00 0.00 P ATOM 18906 O1P G A 885 162.983 94.880 -16.061 0.00 0.00 O ATOM 18907 O2P G A 885 162.791 96.281 -13.916 0.00 0.00 O ATOM 18908 O5* G A 885 164.457 96.886 -15.673 0.00 0.00 O ATOM 18909 C5* G A 885 164.613 98.297 -15.763 0.00 0.00 C ATOM 18910 C4* G A 885 165.996 98.752 -15.323 0.00 0.00 C ATOM 18911 O4* G A 885 166.119 98.699 -13.908 0.00 0.00 O ATOM 18912 C3* G A 885 167.136 97.914 -15.900 0.00 0.00 C ATOM 18913 O3* G A 885 167.445 98.198 -17.254 0.00 0.00 O ATOM 18914 C2* G A 885 168.218 98.329 -14.904 0.00 0.00 C ATOM 18915 O2* G A 885 168.634 99.664 -15.155 0.00 0.00 O ATOM 18916 C1* G A 885 167.432 98.270 -13.589 0.00 0.00 C ATOM 18917 N9 G A 885 167.390 96.896 -13.019 0.00 0.00 N ATOM 18918 C8 G A 885 166.379 95.963 -13.022 0.00 0.00 C ATOM 18919 N7 G A 885 166.654 94.853 -12.383 0.00 0.00 N ATOM 18920 C5 G A 885 167.950 95.071 -11.909 0.00 0.00 C ATOM 18921 C6 G A 885 168.816 94.253 -11.104 0.00 0.00 C ATOM 18922 O6 G A 885 168.591 93.154 -10.582 0.00 0.00 O ATOM 18923 N1 G A 885 170.066 94.812 -10.913 0.00 0.00 N ATOM 18924 C2 G A 885 170.412 96.055 -11.350 0.00 0.00 C ATOM 18925 N2 G A 885 171.610 96.490 -11.059 0.00 0.00 N ATOM 18926 N3 G A 885 169.612 96.868 -12.031 0.00 0.00 N ATOM 18927 C4 G A 885 168.401 96.312 -12.302 0.00 0.00 C ATOM 18928 P G A 886 168.443 97.250 -18.067 0.00 0.00 P ATOM 18929 O1P G A 886 168.747 97.809 -19.399 0.00 0.00 O ATOM 18930 O2P G A 886 167.972 95.852 -18.053 0.00 0.00 O ATOM 18931 O5* G A 886 169.827 97.216 -17.277 0.00 0.00 O ATOM 18932 C5* G A 886 170.775 98.265 -17.355 0.00 0.00 C ATOM 18933 C4* G A 886 172.080 97.796 -16.710 0.00 0.00 C ATOM 18934 O4* G A 886 171.911 97.517 -15.327 0.00 0.00 O ATOM 18935 C3* G A 886 172.602 96.496 -17.310 0.00 0.00 C ATOM 18936 O3* G A 886 173.160 96.654 -18.603 0.00 0.00 O ATOM 18937 C2* G A 886 173.566 96.061 -16.201 0.00 0.00 C ATOM 18938 O2* G A 886 174.768 96.815 -16.126 0.00 0.00 O ATOM 18939 C1* G A 886 172.737 96.415 -14.965 0.00 0.00 C ATOM 18940 N9 G A 886 171.932 95.250 -14.518 0.00 0.00 N ATOM 18941 C8 G A 886 170.592 94.994 -14.680 0.00 0.00 C ATOM 18942 N7 G A 886 170.188 93.879 -14.130 0.00 0.00 N ATOM 18943 C5 G A 886 171.353 93.337 -13.579 0.00 0.00 C ATOM 18944 C6 G A 886 171.583 92.122 -12.843 0.00 0.00 C ATOM 18945 O6 G A 886 170.784 91.257 -12.474 0.00 0.00 O ATOM 18946 N1 G A 886 172.915 91.936 -12.520 0.00 0.00 N ATOM 18947 C2 G A 886 173.910 92.818 -12.811 0.00 0.00 C ATOM 18948 N2 G A 886 175.128 92.481 -12.439 0.00 0.00 N ATOM 18949 N3 G A 886 173.729 93.967 -13.464 0.00 0.00 N ATOM 18950 C4 G A 886 172.426 94.169 -13.827 0.00 0.00 C ATOM 18951 P G A 887 173.100 95.453 -19.666 0.00 0.00 P ATOM 18952 O1P G A 887 173.782 95.880 -20.904 0.00 0.00 O ATOM 18953 O2P G A 887 171.689 94.993 -19.727 0.00 0.00 O ATOM 18954 O5* G A 887 173.994 94.324 -18.947 0.00 0.00 O ATOM 18955 C5* G A 887 175.387 94.529 -18.775 0.00 0.00 C ATOM 18956 C4* G A 887 176.040 93.398 -17.979 0.00 0.00 C ATOM 18957 O4* G A 887 175.456 93.276 -16.688 0.00 0.00 O ATOM 18958 C3* G A 887 175.934 92.035 -18.659 0.00 0.00 C ATOM 18959 O3* G A 887 176.937 91.844 -19.646 0.00 0.00 O ATOM 18960 C2* G A 887 176.125 91.119 -17.449 0.00 0.00 C ATOM 18961 O2* G A 887 177.493 90.952 -17.085 0.00 0.00 O ATOM 18962 C1* G A 887 175.417 91.903 -16.339 0.00 0.00 C ATOM 18963 N9 G A 887 174.032 91.414 -16.154 0.00 0.00 N ATOM 18964 C8 G A 887 172.825 91.922 -16.566 0.00 0.00 C ATOM 18965 N7 G A 887 171.793 91.200 -16.204 0.00 0.00 N ATOM 18966 C5 G A 887 172.358 90.116 -15.520 0.00 0.00 C ATOM 18967 C6 G A 887 171.781 88.951 -14.893 0.00 0.00 C ATOM 18968 O6 G A 887 170.599 88.612 -14.779 0.00 0.00 O ATOM 18969 N1 G A 887 172.742 88.104 -14.357 0.00 0.00 N ATOM 18970 C2 G A 887 174.090 88.357 -14.375 0.00 0.00 C ATOM 18971 N2 G A 887 174.902 87.491 -13.819 0.00 0.00 N ATOM 18972 N3 G A 887 174.645 89.430 -14.922 0.00 0.00 N ATOM 18973 C4 G A 887 173.728 90.261 -15.488 0.00 0.00 C ATOM 18974 P G A 888 176.711 90.892 -20.909 0.00 0.00 P ATOM 18975 O1P G A 888 178.044 90.742 -21.541 0.00 0.00 O ATOM 18976 O2P G A 888 175.651 91.510 -21.734 0.00 0.00 O ATOM 18977 O5* G A 888 176.197 89.467 -20.333 0.00 0.00 O ATOM 18978 C5* G A 888 177.065 88.558 -19.661 0.00 0.00 C ATOM 18979 C4* G A 888 176.326 87.388 -18.965 0.00 0.00 C ATOM 18980 O4* G A 888 175.438 87.808 -17.929 0.00 0.00 O ATOM 18981 C3* G A 888 175.500 86.507 -19.882 0.00 0.00 C ATOM 18982 O3* G A 888 176.354 85.606 -20.562 0.00 0.00 O ATOM 18983 C2* G A 888 174.512 85.856 -18.902 0.00 0.00 C ATOM 18984 O2* G A 888 175.044 84.804 -18.115 0.00 0.00 O ATOM 18985 C1* G A 888 174.251 87.004 -17.931 0.00 0.00 C ATOM 18986 N9 G A 888 173.069 87.800 -18.349 0.00 0.00 N ATOM 18987 C8 G A 888 173.081 88.968 -19.066 0.00 0.00 C ATOM 18988 N7 G A 888 171.909 89.502 -19.252 0.00 0.00 N ATOM 18989 C5 G A 888 171.037 88.627 -18.596 0.00 0.00 C ATOM 18990 C6 G A 888 169.616 88.713 -18.375 0.00 0.00 C ATOM 18991 O6 G A 888 168.836 89.643 -18.599 0.00 0.00 O ATOM 18992 N1 G A 888 169.080 87.581 -17.792 0.00 0.00 N ATOM 18993 C2 G A 888 169.839 86.562 -17.297 0.00 0.00 C ATOM 18994 N2 G A 888 169.139 85.649 -16.653 0.00 0.00 N ATOM 18995 N3 G A 888 171.184 86.493 -17.380 0.00 0.00 N ATOM 18996 C4 G A 888 171.730 87.550 -18.074 0.00 0.00 C ATOM 18997 P A A 889 175.984 85.058 -22.019 0.00 0.00 P ATOM 18998 O1P A A 889 174.776 84.216 -21.909 0.00 0.00 O ATOM 18999 O2P A A 889 177.216 84.530 -22.642 0.00 0.00 O ATOM 19000 O5* A A 889 175.570 86.425 -22.767 0.00 0.00 O ATOM 19001 C5* A A 889 175.713 86.575 -24.164 0.00 0.00 C ATOM 19002 C4* A A 889 174.635 87.512 -24.728 0.00 0.00 C ATOM 19003 O4* A A 889 173.348 86.989 -24.426 0.00 0.00 O ATOM 19004 C3* A A 889 174.685 88.936 -24.168 0.00 0.00 C ATOM 19005 O3* A A 889 174.310 89.842 -25.193 0.00 0.00 O ATOM 19006 C2* A A 889 173.617 88.900 -23.074 0.00 0.00 C ATOM 19007 O2* A A 889 173.071 90.185 -22.805 0.00 0.00 O ATOM 19008 C1* A A 889 172.601 87.942 -23.691 0.00 0.00 C ATOM 19009 N9 A A 889 171.728 87.268 -22.700 0.00 0.00 N ATOM 19010 C8 A A 889 171.994 86.203 -21.873 0.00 0.00 C ATOM 19011 N7 A A 889 170.981 85.824 -21.132 0.00 0.00 N ATOM 19012 C5 A A 889 169.954 86.700 -21.522 0.00 0.00 C ATOM 19013 C6 A A 889 168.590 86.896 -21.166 0.00 0.00 C ATOM 19014 N6 A A 889 167.898 86.190 -20.289 0.00 0.00 N ATOM 19015 N1 A A 889 167.869 87.868 -21.727 0.00 0.00 N ATOM 19016 C2 A A 889 168.452 88.628 -22.641 0.00 0.00 C ATOM 19017 N3 A A 889 169.708 88.578 -23.069 0.00 0.00 N ATOM 19018 C4 A A 889 170.413 87.583 -22.467 0.00 0.00 C ATOM 19019 P G A 890 175.402 90.548 -26.103 0.00 0.00 P ATOM 19020 O1P G A 890 176.303 89.508 -26.653 0.00 0.00 O ATOM 19021 O2P G A 890 175.944 91.642 -25.258 0.00 0.00 O ATOM 19022 O5* G A 890 174.502 91.151 -27.288 0.00 0.00 O ATOM 19023 C5* G A 890 174.119 90.398 -28.437 0.00 0.00 C ATOM 19024 C4* G A 890 173.099 89.258 -28.203 0.00 0.00 C ATOM 19025 O4* G A 890 171.835 89.764 -27.768 0.00 0.00 O ATOM 19026 C3* G A 890 172.829 88.548 -29.542 0.00 0.00 C ATOM 19027 O3* G A 890 172.504 87.189 -29.294 0.00 0.00 O ATOM 19028 C2* G A 890 171.626 89.353 -30.033 0.00 0.00 C ATOM 19029 O2* G A 890 170.940 88.758 -31.115 0.00 0.00 O ATOM 19030 C1* G A 890 170.845 89.407 -28.724 0.00 0.00 C ATOM 19031 N9 G A 890 169.699 90.348 -28.707 0.00 0.00 N ATOM 19032 C8 G A 890 169.608 91.599 -29.261 0.00 0.00 C ATOM 19033 N7 G A 890 168.462 92.192 -29.071 0.00 0.00 N ATOM 19034 C5 G A 890 167.715 91.257 -28.346 0.00 0.00 C ATOM 19035 C6 G A 890 166.372 91.313 -27.821 0.00 0.00 C ATOM 19036 O6 G A 890 165.543 92.218 -27.886 0.00 0.00 O ATOM 19037 N1 G A 890 166.012 90.173 -27.120 0.00 0.00 N ATOM 19038 C2 G A 890 166.849 89.115 -26.938 0.00 0.00 C ATOM 19039 N2 G A 890 166.401 88.189 -26.134 0.00 0.00 N ATOM 19040 N3 G A 890 168.093 89.019 -27.412 0.00 0.00 N ATOM 19041 C4 G A 890 168.472 90.126 -28.117 0.00 0.00 C ATOM 19042 P U A 891 172.786 86.045 -30.390 0.00 0.00 P ATOM 19043 O1P U A 891 173.983 86.419 -31.175 0.00 0.00 O ATOM 19044 O2P U A 891 171.527 85.634 -31.057 0.00 0.00 O ATOM 19045 O5* U A 891 173.212 84.897 -29.369 0.00 0.00 O ATOM 19046 C5* U A 891 174.541 84.811 -28.892 0.00 0.00 C ATOM 19047 C4* U A 891 174.588 84.095 -27.544 0.00 0.00 C ATOM 19048 O4* U A 891 174.052 84.919 -26.524 0.00 0.00 O ATOM 19049 C3* U A 891 173.812 82.787 -27.534 0.00 0.00 C ATOM 19050 O3* U A 891 174.616 81.747 -28.062 0.00 0.00 O ATOM 19051 C2* U A 891 173.500 82.665 -26.042 0.00 0.00 C ATOM 19052 O2* U A 891 174.622 82.181 -25.314 0.00 0.00 O ATOM 19053 C1* U A 891 173.259 84.130 -25.641 0.00 0.00 C ATOM 19054 N1 U A 891 171.825 84.563 -25.661 0.00 0.00 N ATOM 19055 C2 U A 891 170.979 84.063 -24.663 0.00 0.00 C ATOM 19056 O2 U A 891 171.298 83.162 -23.885 0.00 0.00 O ATOM 19057 N3 U A 891 169.722 84.632 -24.571 0.00 0.00 N ATOM 19058 C4 U A 891 169.205 85.630 -25.372 0.00 0.00 C ATOM 19059 O4 U A 891 168.058 86.042 -25.213 0.00 0.00 O ATOM 19060 C5 U A 891 170.134 86.100 -26.373 0.00 0.00 C ATOM 19061 C6 U A 891 171.380 85.569 -26.498 0.00 0.00 C ATOM 19062 P A A 892 173.950 80.490 -28.779 0.00 0.00 P ATOM 19063 O1P A A 892 175.055 79.553 -29.115 0.00 0.00 O ATOM 19064 O2P A A 892 173.063 80.983 -29.849 0.00 0.00 O ATOM 19065 O5* A A 892 173.041 79.824 -27.637 0.00 0.00 O ATOM 19066 C5* A A 892 173.605 79.078 -26.571 0.00 0.00 C ATOM 19067 C4* A A 892 172.513 78.482 -25.676 0.00 0.00 C ATOM 19068 O4* A A 892 171.811 79.487 -24.960 0.00 0.00 O ATOM 19069 C3* A A 892 171.476 77.692 -26.466 0.00 0.00 C ATOM 19070 O3* A A 892 171.995 76.417 -26.820 0.00 0.00 O ATOM 19071 C2* A A 892 170.312 77.702 -25.464 0.00 0.00 C ATOM 19072 O2* A A 892 170.426 76.752 -24.421 0.00 0.00 O ATOM 19073 C1* A A 892 170.459 79.073 -24.805 0.00 0.00 C ATOM 19074 N9 A A 892 169.557 80.072 -25.417 0.00 0.00 N ATOM 19075 C8 A A 892 169.859 81.053 -26.325 0.00 0.00 C ATOM 19076 N7 A A 892 168.869 81.862 -26.592 0.00 0.00 N ATOM 19077 C5 A A 892 167.818 81.348 -25.821 0.00 0.00 C ATOM 19078 C6 A A 892 166.457 81.694 -25.632 0.00 0.00 C ATOM 19079 N6 A A 892 165.856 82.715 -26.221 0.00 0.00 N ATOM 19080 N1 A A 892 165.673 80.974 -24.821 0.00 0.00 N ATOM 19081 C2 A A 892 166.205 79.908 -24.236 0.00 0.00 C ATOM 19082 N3 A A 892 167.454 79.457 -24.320 0.00 0.00 N ATOM 19083 C4 A A 892 168.222 80.236 -25.131 0.00 0.00 C ATOM 19084 P C A 893 171.486 75.618 -28.110 0.00 0.00 P ATOM 19085 O1P C A 893 172.205 74.325 -28.167 0.00 0.00 O ATOM 19086 O2P C A 893 171.533 76.528 -29.273 0.00 0.00 O ATOM 19087 O5* C A 893 169.954 75.328 -27.744 0.00 0.00 O ATOM 19088 C5* C A 893 169.590 74.396 -26.747 0.00 0.00 C ATOM 19089 C4* C A 893 168.098 74.517 -26.421 0.00 0.00 C ATOM 19090 O4* C A 893 167.777 75.792 -25.882 0.00 0.00 O ATOM 19091 C3* C A 893 167.220 74.327 -27.656 0.00 0.00 C ATOM 19092 O3* C A 893 167.095 72.959 -28.033 0.00 0.00 O ATOM 19093 C2* C A 893 165.939 75.016 -27.169 0.00 0.00 C ATOM 19094 O2* C A 893 165.171 74.251 -26.246 0.00 0.00 O ATOM 19095 C1* C A 893 166.511 76.202 -26.388 0.00 0.00 C ATOM 19096 N1 C A 893 166.602 77.447 -27.212 0.00 0.00 N ATOM 19097 C2 C A 893 165.504 78.315 -27.203 0.00 0.00 C ATOM 19098 O2 C A 893 164.475 78.016 -26.599 0.00 0.00 O ATOM 19099 N3 C A 893 165.566 79.504 -27.857 0.00 0.00 N ATOM 19100 C4 C A 893 166.687 79.841 -28.485 0.00 0.00 C ATOM 19101 N4 C A 893 166.724 81.027 -29.044 0.00 0.00 N ATOM 19102 C5 C A 893 167.830 78.992 -28.532 0.00 0.00 C ATOM 19103 C6 C A 893 167.737 77.794 -27.908 0.00 0.00 C ATOM 19104 P G A 894 166.771 72.556 -29.567 0.00 0.00 P ATOM 19105 O1P G A 894 166.645 71.083 -29.591 0.00 0.00 O ATOM 19106 O2P G A 894 167.748 73.219 -30.456 0.00 0.00 O ATOM 19107 O5* G A 894 165.332 73.212 -29.835 0.00 0.00 O ATOM 19108 C5* G A 894 164.151 72.632 -29.319 0.00 0.00 C ATOM 19109 C4* G A 894 162.930 73.500 -29.636 0.00 0.00 C ATOM 19110 O4* G A 894 163.000 74.772 -28.996 0.00 0.00 O ATOM 19111 C3* G A 894 162.743 73.765 -31.126 0.00 0.00 C ATOM 19112 O3* G A 894 162.196 72.638 -31.795 0.00 0.00 O ATOM 19113 C2* G A 894 161.822 74.986 -31.047 0.00 0.00 C ATOM 19114 O2* G A 894 160.479 74.674 -30.696 0.00 0.00 O ATOM 19115 C1* G A 894 162.421 75.745 -29.863 0.00 0.00 C ATOM 19116 N9 G A 894 163.422 76.738 -30.315 0.00 0.00 N ATOM 19117 C8 G A 894 164.790 76.645 -30.361 0.00 0.00 C ATOM 19118 N7 G A 894 165.388 77.745 -30.727 0.00 0.00 N ATOM 19119 C5 G A 894 164.336 78.631 -30.988 0.00 0.00 C ATOM 19120 C6 G A 894 164.315 79.998 -31.444 0.00 0.00 C ATOM 19121 O6 G A 894 165.225 80.792 -31.674 0.00 0.00 O ATOM 19122 N1 G A 894 163.039 80.473 -31.664 0.00 0.00 N ATOM 19123 C2 G A 894 161.902 79.763 -31.444 0.00 0.00 C ATOM 19124 N2 G A 894 160.769 80.379 -31.709 0.00 0.00 N ATOM 19125 N3 G A 894 161.872 78.518 -30.967 0.00 0.00 N ATOM 19126 C4 G A 894 163.127 78.001 -30.771 0.00 0.00 C ATOM 19127 P G A 895 162.392 72.421 -33.369 0.00 0.00 P ATOM 19128 O1P G A 895 161.710 71.155 -33.726 0.00 0.00 O ATOM 19129 O2P G A 895 163.834 72.576 -33.672 0.00 0.00 O ATOM 19130 O5* G A 895 161.619 73.665 -34.031 0.00 0.00 O ATOM 19131 C5* G A 895 160.207 73.726 -34.010 0.00 0.00 C ATOM 19132 C4* G A 895 159.686 75.092 -34.461 0.00 0.00 C ATOM 19133 O4* G A 895 160.146 76.132 -33.609 0.00 0.00 O ATOM 19134 C3* G A 895 160.050 75.463 -35.899 0.00 0.00 C ATOM 19135 O3* G A 895 159.195 74.794 -36.825 0.00 0.00 O ATOM 19136 C2* G A 895 159.843 76.981 -35.802 0.00 0.00 C ATOM 19137 O2* G A 895 158.463 77.331 -35.837 0.00 0.00 O ATOM 19138 C1* G A 895 160.384 77.287 -34.399 0.00 0.00 C ATOM 19139 N9 G A 895 161.828 77.634 -34.411 0.00 0.00 N ATOM 19140 C8 G A 895 162.936 76.868 -34.140 0.00 0.00 C ATOM 19141 N7 G A 895 164.069 77.515 -34.217 0.00 0.00 N ATOM 19142 C5 G A 895 163.688 78.816 -34.568 0.00 0.00 C ATOM 19143 C6 G A 895 164.455 80.001 -34.858 0.00 0.00 C ATOM 19144 O6 G A 895 165.666 80.175 -34.794 0.00 0.00 O ATOM 19145 N1 G A 895 163.688 81.049 -35.353 0.00 0.00 N ATOM 19146 C2 G A 895 162.319 81.004 -35.410 0.00 0.00 C ATOM 19147 N2 G A 895 161.653 82.051 -35.832 0.00 0.00 N ATOM 19148 N3 G A 895 161.575 79.950 -35.094 0.00 0.00 N ATOM 19149 C4 G A 895 162.320 78.877 -34.709 0.00 0.00 C ATOM 19150 P C A 896 159.580 74.597 -38.370 0.00 0.00 P ATOM 19151 O1P C A 896 158.466 73.883 -39.040 0.00 0.00 O ATOM 19152 O2P C A 896 160.948 74.050 -38.485 0.00 0.00 O ATOM 19153 O5* C A 896 159.666 76.061 -38.999 0.00 0.00 O ATOM 19154 C5* C A 896 158.526 76.874 -39.209 0.00 0.00 C ATOM 19155 C4* C A 896 158.946 78.278 -39.672 0.00 0.00 C ATOM 19156 O4* C A 896 159.591 79.040 -38.654 0.00 0.00 O ATOM 19157 C3* C A 896 159.924 78.254 -40.847 0.00 0.00 C ATOM 19158 O3* C A 896 159.295 77.915 -42.069 0.00 0.00 O ATOM 19159 C2* C A 896 160.449 79.687 -40.772 0.00 0.00 C ATOM 19160 O2* C A 896 159.501 80.632 -41.255 0.00 0.00 O ATOM 19161 C1* C A 896 160.605 79.853 -39.257 0.00 0.00 C ATOM 19162 N1 C A 896 161.964 79.426 -38.803 0.00 0.00 N ATOM 19163 C2 C A 896 163.018 80.356 -38.799 0.00 0.00 C ATOM 19164 O2 C A 896 162.888 81.496 -39.256 0.00 0.00 O ATOM 19165 N3 C A 896 164.222 80.000 -38.276 0.00 0.00 N ATOM 19166 C4 C A 896 164.392 78.765 -37.804 0.00 0.00 C ATOM 19167 N4 C A 896 165.535 78.458 -37.243 0.00 0.00 N ATOM 19168 C5 C A 896 163.371 77.780 -37.824 0.00 0.00 C ATOM 19169 C6 C A 896 162.180 78.147 -38.345 0.00 0.00 C ATOM 19170 P C A 897 160.130 77.292 -43.280 0.00 0.00 P ATOM 19171 O1P C A 897 159.106 77.171 -44.344 0.00 0.00 O ATOM 19172 O2P C A 897 160.778 76.055 -42.773 0.00 0.00 O ATOM 19173 O5* C A 897 161.196 78.452 -43.655 0.00 0.00 O ATOM 19174 C5* C A 897 160.779 79.688 -44.241 0.00 0.00 C ATOM 19175 C4* C A 897 161.898 80.734 -44.359 0.00 0.00 C ATOM 19176 O4* C A 897 162.415 81.168 -43.104 0.00 0.00 O ATOM 19177 C3* C A 897 163.091 80.256 -45.173 0.00 0.00 C ATOM 19178 O3* C A 897 162.788 80.177 -46.561 0.00 0.00 O ATOM 19179 C2* C A 897 164.102 81.335 -44.765 0.00 0.00 C ATOM 19180 O2* C A 897 163.824 82.594 -45.368 0.00 0.00 O ATOM 19181 C1* C A 897 163.806 81.461 -43.262 0.00 0.00 C ATOM 19182 N1 C A 897 164.647 80.551 -42.419 0.00 0.00 N ATOM 19183 C2 C A 897 165.930 80.972 -42.045 0.00 0.00 C ATOM 19184 O2 C A 897 166.376 82.044 -42.440 0.00 0.00 O ATOM 19185 N3 C A 897 166.705 80.197 -41.239 0.00 0.00 N ATOM 19186 C4 C A 897 166.215 79.047 -40.787 0.00 0.00 C ATOM 19187 N4 C A 897 166.989 78.322 -40.009 0.00 0.00 N ATOM 19188 C5 C A 897 164.910 78.572 -41.132 0.00 0.00 C ATOM 19189 C6 C A 897 164.167 79.349 -41.959 0.00 0.00 C ATOM 19190 P G A 898 163.631 79.217 -47.519 0.00 0.00 P ATOM 19191 O1P G A 898 163.208 79.350 -48.928 0.00 0.00 O ATOM 19192 O2P G A 898 163.613 77.841 -46.968 0.00 0.00 O ATOM 19193 O5* G A 898 165.162 79.678 -47.417 0.00 0.00 O ATOM 19194 C5* G A 898 165.623 80.897 -47.987 0.00 0.00 C ATOM 19195 C4* G A 898 167.116 81.090 -47.710 0.00 0.00 C ATOM 19196 O4* G A 898 167.377 81.326 -46.328 0.00 0.00 O ATOM 19197 C3* G A 898 167.955 79.869 -48.087 0.00 0.00 C ATOM 19198 O3* G A 898 168.111 79.669 -49.492 0.00 0.00 O ATOM 19199 C2* G A 898 169.227 80.234 -47.319 0.00 0.00 C ATOM 19200 O2* G A 898 169.963 81.272 -47.953 0.00 0.00 O ATOM 19201 C1* G A 898 168.656 80.785 -46.001 0.00 0.00 C ATOM 19202 N9 G A 898 168.496 79.730 -44.961 0.00 0.00 N ATOM 19203 C8 G A 898 167.376 78.996 -44.662 0.00 0.00 C ATOM 19204 N7 G A 898 167.557 78.055 -43.775 0.00 0.00 N ATOM 19205 C5 G A 898 168.910 78.186 -43.428 0.00 0.00 C ATOM 19206 C6 G A 898 169.741 77.427 -42.522 0.00 0.00 C ATOM 19207 O6 G A 898 169.447 76.479 -41.793 0.00 0.00 O ATOM 19208 N1 G A 898 171.068 77.834 -42.511 0.00 0.00 N ATOM 19209 C2 G A 898 171.516 78.902 -43.242 0.00 0.00 C ATOM 19210 N2 G A 898 172.767 79.254 -43.075 0.00 0.00 N ATOM 19211 N3 G A 898 170.766 79.675 -44.035 0.00 0.00 N ATOM 19212 C4 G A 898 169.476 79.237 -44.124 0.00 0.00 C ATOM 19213 P C A 899 168.129 78.197 -50.133 0.00 0.00 P ATOM 19214 O1P C A 899 168.393 78.344 -51.585 0.00 0.00 O ATOM 19215 O2P C A 899 166.906 77.481 -49.706 0.00 0.00 O ATOM 19216 O5* C A 899 169.414 77.521 -49.452 0.00 0.00 O ATOM 19217 C5* C A 899 169.771 76.168 -49.685 0.00 0.00 C ATOM 19218 C4* C A 899 171.297 75.977 -49.759 0.00 0.00 C ATOM 19219 O4* C A 899 171.842 76.639 -50.901 0.00 0.00 O ATOM 19220 C3* C A 899 172.050 76.457 -48.517 0.00 0.00 C ATOM 19221 O3* C A 899 172.129 75.428 -47.535 0.00 0.00 O ATOM 19222 C2* C A 899 173.410 76.839 -49.119 0.00 0.00 C ATOM 19223 O2* C A 899 174.339 75.775 -49.260 0.00 0.00 O ATOM 19224 C1* C A 899 173.078 77.249 -50.548 0.00 0.00 C ATOM 19225 N1 C A 899 173.048 78.728 -50.700 0.00 0.00 N ATOM 19226 C2 C A 899 174.246 79.396 -50.993 0.00 0.00 C ATOM 19227 O2 C A 899 175.321 78.794 -51.025 0.00 0.00 O ATOM 19228 N3 C A 899 174.230 80.723 -51.299 0.00 0.00 N ATOM 19229 C4 C A 899 173.070 81.372 -51.247 0.00 0.00 C ATOM 19230 N4 C A 899 173.038 82.624 -51.623 0.00 0.00 N ATOM 19231 C5 C A 899 171.840 80.744 -50.901 0.00 0.00 C ATOM 19232 C6 C A 899 171.868 79.421 -50.635 0.00 0.00 C ATOM 19233 P A A 900 172.118 75.749 -45.955 0.00 0.00 P ATOM 19234 O1P A A 900 172.200 74.452 -45.232 0.00 0.00 O ATOM 19235 O2P A A 900 170.984 76.658 -45.694 0.00 0.00 O ATOM 19236 O5* A A 900 173.487 76.573 -45.735 0.00 0.00 O ATOM 19237 C5* A A 900 174.752 75.943 -45.771 0.00 0.00 C ATOM 19238 C4* A A 900 175.875 76.983 -45.872 0.00 0.00 C ATOM 19239 O4* A A 900 175.754 77.744 -47.073 0.00 0.00 O ATOM 19240 C3* A A 900 175.930 77.955 -44.691 0.00 0.00 C ATOM 19241 O3* A A 900 176.627 77.377 -43.582 0.00 0.00 O ATOM 19242 C2* A A 900 176.639 79.133 -45.374 0.00 0.00 C ATOM 19243 O2* A A 900 178.038 78.942 -45.539 0.00 0.00 O ATOM 19244 C1* A A 900 176.054 79.103 -46.784 0.00 0.00 C ATOM 19245 N9 A A 900 174.873 79.987 -46.973 0.00 0.00 N ATOM 19246 C8 A A 900 173.524 79.709 -46.912 0.00 0.00 C ATOM 19247 N7 A A 900 172.754 80.661 -47.379 0.00 0.00 N ATOM 19248 C5 A A 900 173.668 81.668 -47.710 0.00 0.00 C ATOM 19249 C6 A A 900 173.551 82.970 -48.249 0.00 0.00 C ATOM 19250 N6 A A 900 172.391 83.505 -48.591 0.00 0.00 N ATOM 19251 N1 A A 900 174.636 83.740 -48.429 0.00 0.00 N ATOM 19252 C2 A A 900 175.813 83.233 -48.073 0.00 0.00 C ATOM 19253 N3 A A 900 176.081 82.018 -47.598 0.00 0.00 N ATOM 19254 C4 A A 900 174.950 81.280 -47.431 0.00 0.00 C ATOM 19255 P A A 901 176.365 77.817 -42.050 0.00 0.00 P ATOM 19256 O1P A A 901 177.113 76.921 -41.129 0.00 0.00 O ATOM 19257 O2P A A 901 174.901 78.005 -41.850 0.00 0.00 O ATOM 19258 O5* A A 901 177.027 79.262 -41.929 0.00 0.00 O ATOM 19259 C5* A A 901 178.422 79.469 -41.988 0.00 0.00 C ATOM 19260 C4* A A 901 178.698 80.941 -42.281 0.00 0.00 C ATOM 19261 O4* A A 901 178.193 81.275 -43.584 0.00 0.00 O ATOM 19262 C3* A A 901 178.103 81.948 -41.280 0.00 0.00 C ATOM 19263 O3* A A 901 178.841 82.193 -40.076 0.00 0.00 O ATOM 19264 C2* A A 901 178.151 83.157 -42.217 0.00 0.00 C ATOM 19265 O2* A A 901 179.497 83.535 -42.460 0.00 0.00 O ATOM 19266 C1* A A 901 177.649 82.595 -43.545 0.00 0.00 C ATOM 19267 N9 A A 901 176.165 82.551 -43.695 0.00 0.00 N ATOM 19268 C8 A A 901 175.287 81.585 -43.262 0.00 0.00 C ATOM 19269 N7 A A 901 174.058 81.735 -43.670 0.00 0.00 N ATOM 19270 C5 A A 901 174.102 82.941 -44.367 0.00 0.00 C ATOM 19271 C6 A A 901 173.113 83.760 -44.958 0.00 0.00 C ATOM 19272 N6 A A 901 171.816 83.503 -44.933 0.00 0.00 N ATOM 19273 N1 A A 901 173.451 84.917 -45.525 0.00 0.00 N ATOM 19274 C2 A A 901 174.730 85.273 -45.511 0.00 0.00 C ATOM 19275 N3 A A 901 175.763 84.616 -44.982 0.00 0.00 N ATOM 19276 C4 A A 901 175.379 83.447 -44.397 0.00 0.00 C ATOM 19277 P G A 902 178.250 81.858 -38.610 0.00 0.00 P ATOM 19278 O1P G A 902 178.928 82.682 -37.575 0.00 0.00 O ATOM 19279 O2P G A 902 178.177 80.393 -38.403 0.00 0.00 O ATOM 19280 O5* G A 902 176.737 82.402 -38.645 0.00 0.00 O ATOM 19281 C5* G A 902 176.414 83.769 -38.429 0.00 0.00 C ATOM 19282 C4* G A 902 175.601 84.406 -39.561 0.00 0.00 C ATOM 19283 O4* G A 902 175.305 83.533 -40.642 0.00 0.00 O ATOM 19284 C3* G A 902 174.276 84.921 -39.018 0.00 0.00 C ATOM 19285 O3* G A 902 174.478 86.171 -38.388 0.00 0.00 O ATOM 19286 C2* G A 902 173.424 84.935 -40.282 0.00 0.00 C ATOM 19287 O2* G A 902 173.713 86.028 -41.141 0.00 0.00 O ATOM 19288 C1* G A 902 173.927 83.656 -40.959 0.00 0.00 C ATOM 19289 N9 G A 902 173.236 82.431 -40.489 0.00 0.00 N ATOM 19290 C8 G A 902 173.733 81.371 -39.772 0.00 0.00 C ATOM 19291 N7 G A 902 172.871 80.414 -39.541 0.00 0.00 N ATOM 19292 C5 G A 902 171.697 80.880 -40.156 0.00 0.00 C ATOM 19293 C6 G A 902 170.375 80.311 -40.270 0.00 0.00 C ATOM 19294 O6 G A 902 169.932 79.257 -39.815 0.00 0.00 O ATOM 19295 N1 G A 902 169.518 81.082 -41.031 0.00 0.00 N ATOM 19296 C2 G A 902 169.869 82.271 -41.587 0.00 0.00 C ATOM 19297 N2 G A 902 168.938 82.896 -42.243 0.00 0.00 N ATOM 19298 N3 G A 902 171.067 82.840 -41.494 0.00 0.00 N ATOM 19299 C4 G A 902 171.939 82.094 -40.765 0.00 0.00 C ATOM 19300 P G A 903 173.593 86.624 -37.143 0.00 0.00 P ATOM 19301 O1P G A 903 174.206 87.880 -36.629 0.00 0.00 O ATOM 19302 O2P G A 903 173.496 85.445 -36.260 0.00 0.00 O ATOM 19303 O5* G A 903 172.142 86.895 -37.814 0.00 0.00 O ATOM 19304 C5* G A 903 171.939 87.955 -38.737 0.00 0.00 C ATOM 19305 C4* G A 903 170.559 87.921 -39.417 0.00 0.00 C ATOM 19306 O4* G A 903 170.350 86.707 -40.123 0.00 0.00 O ATOM 19307 C3* G A 903 169.377 88.118 -38.469 0.00 0.00 C ATOM 19308 O3* G A 903 169.184 89.506 -38.217 0.00 0.00 O ATOM 19309 C2* G A 903 168.249 87.467 -39.283 0.00 0.00 C ATOM 19310 O2* G A 903 167.716 88.353 -40.251 0.00 0.00 O ATOM 19311 C1* G A 903 168.985 86.327 -39.999 0.00 0.00 C ATOM 19312 N9 G A 903 168.877 85.045 -39.259 0.00 0.00 N ATOM 19313 C8 G A 903 169.842 84.341 -38.583 0.00 0.00 C ATOM 19314 N7 G A 903 169.441 83.184 -38.126 0.00 0.00 N ATOM 19315 C5 G A 903 168.096 83.118 -38.503 0.00 0.00 C ATOM 19316 C6 G A 903 167.086 82.109 -38.294 0.00 0.00 C ATOM 19317 O6 G A 903 167.159 81.013 -37.736 0.00 0.00 O ATOM 19318 N1 G A 903 165.853 82.467 -38.815 0.00 0.00 N ATOM 19319 C2 G A 903 165.623 83.634 -39.490 0.00 0.00 C ATOM 19320 N2 G A 903 164.413 83.852 -39.943 0.00 0.00 N ATOM 19321 N3 G A 903 166.525 84.587 -39.696 0.00 0.00 N ATOM 19322 C4 G A 903 167.748 84.267 -39.183 0.00 0.00 C ATOM 19323 P U A 904 168.443 90.036 -36.903 0.00 0.00 P ATOM 19324 O1P U A 904 168.349 91.517 -37.039 0.00 0.00 O ATOM 19325 O2P U A 904 169.170 89.464 -35.756 0.00 0.00 O ATOM 19326 O5* U A 904 166.966 89.388 -36.948 0.00 0.00 O ATOM 19327 C5* U A 904 165.951 89.892 -37.802 0.00 0.00 C ATOM 19328 C4* U A 904 164.645 89.086 -37.701 0.00 0.00 C ATOM 19329 O4* U A 904 164.804 87.745 -38.161 0.00 0.00 O ATOM 19330 C3* U A 904 164.086 88.998 -36.284 0.00 0.00 C ATOM 19331 O3* U A 904 163.322 90.133 -35.909 0.00 0.00 O ATOM 19332 C2* U A 904 163.238 87.728 -36.377 0.00 0.00 C ATOM 19333 O2* U A 904 161.949 87.933 -36.951 0.00 0.00 O ATOM 19334 C1* U A 904 164.048 86.855 -37.338 0.00 0.00 C ATOM 19335 N1 U A 904 164.908 85.881 -36.601 0.00 0.00 N ATOM 19336 C2 U A 904 164.322 84.703 -36.105 0.00 0.00 C ATOM 19337 O2 U A 904 163.126 84.429 -36.219 0.00 0.00 O ATOM 19338 N3 U A 904 165.157 83.815 -35.445 0.00 0.00 N ATOM 19339 C4 U A 904 166.526 83.941 -35.338 0.00 0.00 C ATOM 19340 O4 U A 904 167.175 83.063 -34.796 0.00 0.00 O ATOM 19341 C5 U A 904 167.056 85.181 -35.852 0.00 0.00 C ATOM 19342 C6 U A 904 166.254 86.112 -36.424 0.00 0.00 C ATOM 19343 P U A 905 163.286 90.620 -34.379 0.00 0.00 P ATOM 19344 O1P U A 905 162.338 91.754 -34.301 0.00 0.00 O ATOM 19345 O2P U A 905 164.678 90.760 -33.914 0.00 0.00 O ATOM 19346 O5* U A 905 162.629 89.358 -33.622 0.00 0.00 O ATOM 19347 C5* U A 905 161.240 89.119 -33.708 0.00 0.00 C ATOM 19348 C4* U A 905 160.860 87.764 -33.110 0.00 0.00 C ATOM 19349 O4* U A 905 161.560 86.700 -33.741 0.00 0.00 O ATOM 19350 C3* U A 905 161.117 87.643 -31.611 0.00 0.00 C ATOM 19351 O3* U A 905 160.085 88.262 -30.850 0.00 0.00 O ATOM 19352 C2* U A 905 161.087 86.113 -31.496 0.00 0.00 C ATOM 19353 O2* U A 905 159.740 85.637 -31.520 0.00 0.00 O ATOM 19354 C1* U A 905 161.759 85.657 -32.799 0.00 0.00 C ATOM 19355 N1 U A 905 163.204 85.305 -32.634 0.00 0.00 N ATOM 19356 C2 U A 905 163.515 83.970 -32.359 0.00 0.00 C ATOM 19357 O2 U A 905 162.653 83.093 -32.306 0.00 0.00 O ATOM 19358 N3 U A 905 164.852 83.652 -32.161 0.00 0.00 N ATOM 19359 C4 U A 905 165.910 84.536 -32.241 0.00 0.00 C ATOM 19360 O4 U A 905 167.061 84.183 -31.993 0.00 0.00 O ATOM 19361 C5 U A 905 165.518 85.874 -32.629 0.00 0.00 C ATOM 19362 C6 U A 905 164.216 86.228 -32.791 0.00 0.00 C ATOM 19363 P A A 906 160.394 89.080 -29.507 0.00 0.00 P ATOM 19364 O1P A A 906 159.097 89.337 -28.847 0.00 0.00 O ATOM 19365 O2P A A 906 161.222 90.250 -29.863 0.00 0.00 O ATOM 19366 O5* A A 906 161.264 88.085 -28.591 0.00 0.00 O ATOM 19367 C5* A A 906 160.673 86.997 -27.906 0.00 0.00 C ATOM 19368 C4* A A 906 161.721 86.043 -27.315 0.00 0.00 C ATOM 19369 O4* A A 906 162.440 85.382 -28.351 0.00 0.00 O ATOM 19370 C3* A A 906 162.790 86.690 -26.437 0.00 0.00 C ATOM 19371 O3* A A 906 162.365 87.104 -25.147 0.00 0.00 O ATOM 19372 C2* A A 906 163.834 85.565 -26.453 0.00 0.00 C ATOM 19373 O2* A A 906 163.468 84.384 -25.750 0.00 0.00 O ATOM 19374 C1* A A 906 163.790 85.204 -27.931 0.00 0.00 C ATOM 19375 N9 A A 906 164.692 86.082 -28.701 0.00 0.00 N ATOM 19376 C8 A A 906 164.399 87.227 -29.405 0.00 0.00 C ATOM 19377 N7 A A 906 165.421 87.758 -30.010 0.00 0.00 N ATOM 19378 C5 A A 906 166.464 86.893 -29.678 0.00 0.00 C ATOM 19379 C6 A A 906 167.821 86.826 -30.040 0.00 0.00 C ATOM 19380 N6 A A 906 168.366 87.661 -30.903 0.00 0.00 N ATOM 19381 N1 A A 906 168.611 85.855 -29.569 0.00 0.00 N ATOM 19382 C2 A A 906 168.067 84.961 -28.748 0.00 0.00 C ATOM 19383 N3 A A 906 166.800 84.870 -28.342 0.00 0.00 N ATOM 19384 C4 A A 906 166.042 85.885 -28.856 0.00 0.00 C ATOM 19385 P A A 907 163.281 88.128 -24.313 0.00 0.00 P ATOM 19386 O1P A A 907 162.494 88.726 -23.212 0.00 0.00 O ATOM 19387 O2P A A 907 163.912 89.093 -25.247 0.00 0.00 O ATOM 19388 O5* A A 907 164.490 87.248 -23.743 0.00 0.00 O ATOM 19389 C5* A A 907 164.614 86.824 -22.395 0.00 0.00 C ATOM 19390 C4* A A 907 163.828 85.549 -22.065 0.00 0.00 C ATOM 19391 O4* A A 907 164.174 84.484 -22.956 0.00 0.00 O ATOM 19392 C3* A A 907 164.209 85.065 -20.658 0.00 0.00 C ATOM 19393 O3* A A 907 163.507 85.671 -19.573 0.00 0.00 O ATOM 19394 C2* A A 907 163.979 83.560 -20.787 0.00 0.00 C ATOM 19395 O2* A A 907 162.610 83.182 -20.704 0.00 0.00 O ATOM 19396 C1* A A 907 164.484 83.306 -22.210 0.00 0.00 C ATOM 19397 N9 A A 907 165.943 83.028 -22.225 0.00 0.00 N ATOM 19398 C8 A A 907 166.942 83.769 -22.801 0.00 0.00 C ATOM 19399 N7 A A 907 168.126 83.231 -22.710 0.00 0.00 N ATOM 19400 C5 A A 907 167.903 82.033 -22.032 0.00 0.00 C ATOM 19401 C6 A A 907 168.725 80.957 -21.610 0.00 0.00 C ATOM 19402 N6 A A 907 170.033 80.861 -21.794 0.00 0.00 N ATOM 19403 N1 A A 907 168.196 79.925 -20.949 0.00 0.00 N ATOM 19404 C2 A A 907 166.888 79.932 -20.732 0.00 0.00 C ATOM 19405 N3 A A 907 165.991 80.853 -21.079 0.00 0.00 N ATOM 19406 C4 A A 907 166.572 81.902 -21.729 0.00 0.00 C ATOM 19407 P A A 908 164.246 85.892 -18.152 0.00 0.00 P ATOM 19408 O1P A A 908 163.188 86.395 -17.237 0.00 0.00 O ATOM 19409 O2P A A 908 165.485 86.667 -18.388 0.00 0.00 O ATOM 19410 O5* A A 908 164.639 84.414 -17.699 0.00 0.00 O ATOM 19411 C5* A A 908 163.678 83.443 -17.319 0.00 0.00 C ATOM 19412 C4* A A 908 164.393 82.140 -16.950 0.00 0.00 C ATOM 19413 O4* A A 908 165.138 81.612 -18.038 0.00 0.00 O ATOM 19414 C3* A A 908 165.356 82.335 -15.787 0.00 0.00 C ATOM 19415 O3* A A 908 164.619 82.328 -14.577 0.00 0.00 O ATOM 19416 C2* A A 908 166.310 81.158 -16.023 0.00 0.00 C ATOM 19417 O2* A A 908 165.809 79.893 -15.624 0.00 0.00 O ATOM 19418 C1* A A 908 166.382 81.127 -17.546 0.00 0.00 C ATOM 19419 N9 A A 908 167.502 81.952 -18.059 0.00 0.00 N ATOM 19420 C8 A A 908 167.459 83.163 -18.705 0.00 0.00 C ATOM 19421 N7 A A 908 168.614 83.581 -19.149 0.00 0.00 N ATOM 19422 C5 A A 908 169.495 82.558 -18.768 0.00 0.00 C ATOM 19423 C6 A A 908 170.876 82.291 -18.965 0.00 0.00 C ATOM 19424 N6 A A 908 171.727 83.038 -19.650 0.00 0.00 N ATOM 19425 N1 A A 908 171.425 81.172 -18.486 0.00 0.00 N ATOM 19426 C2 A A 908 170.649 80.324 -17.826 0.00 0.00 C ATOM 19427 N3 A A 908 169.347 80.426 -17.571 0.00 0.00 N ATOM 19428 C4 A A 908 168.823 81.576 -18.084 0.00 0.00 C ATOM 19429 P A A 909 165.125 83.092 -13.265 0.00 0.00 P ATOM 19430 O1P A A 909 164.078 82.905 -12.244 0.00 0.00 O ATOM 19431 O2P A A 909 165.499 84.476 -13.662 0.00 0.00 O ATOM 19432 O5* A A 909 166.421 82.208 -12.882 0.00 0.00 O ATOM 19433 C5* A A 909 166.243 80.893 -12.367 0.00 0.00 C ATOM 19434 C4* A A 909 167.532 80.071 -12.330 0.00 0.00 C ATOM 19435 O4* A A 909 168.111 79.937 -13.631 0.00 0.00 O ATOM 19436 C3* A A 909 168.596 80.643 -11.398 0.00 0.00 C ATOM 19437 O3* A A 909 168.410 80.288 -10.029 0.00 0.00 O ATOM 19438 C2* A A 909 169.813 79.941 -12.004 0.00 0.00 C ATOM 19439 O2* A A 909 169.831 78.574 -11.615 0.00 0.00 O ATOM 19440 C1* A A 909 169.531 79.983 -13.507 0.00 0.00 C ATOM 19441 N9 A A 909 170.080 81.200 -14.162 0.00 0.00 N ATOM 19442 C8 A A 909 169.439 82.375 -14.479 0.00 0.00 C ATOM 19443 N7 A A 909 170.168 83.243 -15.130 0.00 0.00 N ATOM 19444 C5 A A 909 171.404 82.597 -15.225 0.00 0.00 C ATOM 19445 C6 A A 909 172.655 82.956 -15.775 0.00 0.00 C ATOM 19446 N6 A A 909 172.904 84.117 -16.356 0.00 0.00 N ATOM 19447 N1 A A 909 173.686 82.105 -15.727 0.00 0.00 N ATOM 19448 C2 A A 909 173.492 80.923 -15.156 0.00 0.00 C ATOM 19449 N3 A A 909 172.385 80.447 -14.579 0.00 0.00 N ATOM 19450 C4 A A 909 171.362 81.351 -14.648 0.00 0.00 C ATOM 19451 P C A 910 168.769 81.303 -8.840 0.00 0.00 P ATOM 19452 O1P C A 910 168.652 80.632 -7.519 0.00 0.00 O ATOM 19453 O2P C A 910 168.032 82.555 -9.077 0.00 0.00 O ATOM 19454 O5* C A 910 170.325 81.653 -9.036 0.00 0.00 O ATOM 19455 C5* C A 910 171.388 80.714 -8.978 0.00 0.00 C ATOM 19456 C4* C A 910 172.666 81.371 -9.542 0.00 0.00 C ATOM 19457 O4* C A 910 172.580 81.608 -10.950 0.00 0.00 O ATOM 19458 C3* C A 910 172.982 82.721 -8.897 0.00 0.00 C ATOM 19459 O3* C A 910 173.634 82.573 -7.642 0.00 0.00 O ATOM 19460 C2* C A 910 173.824 83.369 -10.005 0.00 0.00 C ATOM 19461 O2* C A 910 175.154 82.875 -10.075 0.00 0.00 O ATOM 19462 C1* C A 910 173.118 82.890 -11.275 0.00 0.00 C ATOM 19463 N1 C A 910 172.068 83.846 -11.754 0.00 0.00 N ATOM 19464 C2 C A 910 172.448 84.984 -12.491 0.00 0.00 C ATOM 19465 O2 C A 910 173.633 85.257 -12.696 0.00 0.00 O ATOM 19466 N3 C A 910 171.499 85.820 -13.000 0.00 0.00 N ATOM 19467 C4 C A 910 170.215 85.540 -12.794 0.00 0.00 C ATOM 19468 N4 C A 910 169.323 86.350 -13.315 0.00 0.00 N ATOM 19469 C5 C A 910 169.782 84.426 -12.023 0.00 0.00 C ATOM 19470 C6 C A 910 170.735 83.602 -11.531 0.00 0.00 C ATOM 19471 P U A 911 173.510 83.687 -6.490 0.00 0.00 P ATOM 19472 O1P U A 911 174.349 83.274 -5.350 0.00 0.00 O ATOM 19473 O2P U A 911 172.060 83.910 -6.258 0.00 0.00 O ATOM 19474 O5* U A 911 174.165 84.982 -7.187 0.00 0.00 O ATOM 19475 C5* U A 911 175.562 85.041 -7.440 0.00 0.00 C ATOM 19476 C4* U A 911 175.942 86.264 -8.285 0.00 0.00 C ATOM 19477 O4* U A 911 175.302 86.254 -9.556 0.00 0.00 O ATOM 19478 C3* U A 911 175.587 87.583 -7.613 0.00 0.00 C ATOM 19479 O3* U A 911 176.575 87.953 -6.667 0.00 0.00 O ATOM 19480 C2* U A 911 175.504 88.505 -8.833 0.00 0.00 C ATOM 19481 O2* U A 911 176.768 88.922 -9.320 0.00 0.00 O ATOM 19482 C1* U A 911 174.931 87.582 -9.908 0.00 0.00 C ATOM 19483 N1 U A 911 173.460 87.766 -10.065 0.00 0.00 N ATOM 19484 C2 U A 911 173.036 88.835 -10.861 0.00 0.00 C ATOM 19485 O2 U A 911 173.814 89.624 -11.394 0.00 0.00 O ATOM 19486 N3 U A 911 171.673 89.002 -11.018 0.00 0.00 N ATOM 19487 C4 U A 911 170.693 88.234 -10.433 0.00 0.00 C ATOM 19488 O4 U A 911 169.515 88.537 -10.592 0.00 0.00 O ATOM 19489 C5 U A 911 171.202 87.140 -9.631 0.00 0.00 C ATOM 19490 C6 U A 911 172.536 86.941 -9.459 0.00 0.00 C ATOM 19491 P C A 912 176.280 89.042 -5.531 0.00 0.00 P ATOM 19492 O1P C A 912 177.437 89.056 -4.610 0.00 0.00 O ATOM 19493 O2P C A 912 174.909 88.818 -5.025 0.00 0.00 O ATOM 19494 O5* C A 912 176.281 90.423 -6.347 0.00 0.00 O ATOM 19495 C5* C A 912 177.478 91.034 -6.784 0.00 0.00 C ATOM 19496 C4* C A 912 177.168 92.322 -7.561 0.00 0.00 C ATOM 19497 O4* C A 912 176.290 92.081 -8.657 0.00 0.00 O ATOM 19498 C3* C A 912 176.526 93.400 -6.687 0.00 0.00 C ATOM 19499 O3* C A 912 177.518 94.066 -5.909 0.00 0.00 O ATOM 19500 C2* C A 912 175.846 94.255 -7.762 0.00 0.00 C ATOM 19501 O2* C A 912 176.748 95.139 -8.420 0.00 0.00 O ATOM 19502 C1* C A 912 175.408 93.197 -8.789 0.00 0.00 C ATOM 19503 N1 C A 912 173.980 92.777 -8.639 0.00 0.00 N ATOM 19504 C2 C A 912 172.994 93.483 -9.343 0.00 0.00 C ATOM 19505 O2 C A 912 173.256 94.520 -9.956 0.00 0.00 O ATOM 19506 N3 C A 912 171.712 93.027 -9.367 0.00 0.00 N ATOM 19507 C4 C A 912 171.407 91.922 -8.699 0.00 0.00 C ATOM 19508 N4 C A 912 170.164 91.510 -8.779 0.00 0.00 N ATOM 19509 C5 C A 912 172.358 91.189 -7.936 0.00 0.00 C ATOM 19510 C6 C A 912 173.628 91.660 -7.916 0.00 0.00 C ATOM 19511 P A A 913 177.194 94.769 -4.499 0.00 0.00 P ATOM 19512 O1P A A 913 178.417 94.618 -3.681 0.00 0.00 O ATOM 19513 O2P A A 913 175.879 94.304 -4.005 0.00 0.00 O ATOM 19514 O5* A A 913 177.124 96.337 -4.842 0.00 0.00 O ATOM 19515 C5* A A 913 176.324 97.221 -4.067 0.00 0.00 C ATOM 19516 C4* A A 913 175.605 98.188 -5.009 0.00 0.00 C ATOM 19517 O4* A A 913 174.831 97.390 -5.893 0.00 0.00 O ATOM 19518 C3* A A 913 174.628 99.097 -4.245 0.00 0.00 C ATOM 19519 O3* A A 913 175.194 100.303 -3.680 0.00 0.00 O ATOM 19520 C2* A A 913 173.350 99.106 -5.122 0.00 0.00 C ATOM 19521 O2* A A 913 173.024 100.325 -5.767 0.00 0.00 O ATOM 19522 C1* A A 913 173.603 98.016 -6.184 0.00 0.00 C ATOM 19523 N9 A A 913 172.540 96.980 -6.264 0.00 0.00 N ATOM 19524 C8 A A 913 172.522 95.719 -5.714 0.00 0.00 C ATOM 19525 N7 A A 913 171.498 94.988 -6.072 0.00 0.00 N ATOM 19526 C5 A A 913 170.780 95.831 -6.926 0.00 0.00 C ATOM 19527 C6 A A 913 169.595 95.695 -7.690 0.00 0.00 C ATOM 19528 N6 A A 913 168.862 94.592 -7.759 0.00 0.00 N ATOM 19529 N1 A A 913 169.156 96.703 -8.458 0.00 0.00 N ATOM 19530 C2 A A 913 169.878 97.824 -8.466 0.00 0.00 C ATOM 19531 N3 A A 913 170.996 98.107 -7.793 0.00 0.00 N ATOM 19532 C4 A A 913 171.405 97.047 -7.040 0.00 0.00 C ATOM 19533 P A A 914 175.682 101.629 -4.486 0.00 0.00 P ATOM 19534 O1P A A 914 177.042 102.031 -4.050 0.00 0.00 O ATOM 19535 O2P A A 914 174.596 102.641 -4.452 0.00 0.00 O ATOM 19536 O5* A A 914 175.897 101.050 -5.956 0.00 0.00 O ATOM 19537 C5* A A 914 175.912 101.832 -7.124 0.00 0.00 C ATOM 19538 C4* A A 914 175.869 100.789 -8.238 0.00 0.00 C ATOM 19539 O4* A A 914 174.589 100.175 -8.237 0.00 0.00 O ATOM 19540 C3* A A 914 176.088 101.327 -9.643 0.00 0.00 C ATOM 19541 O3* A A 914 177.470 101.471 -9.952 0.00 0.00 O ATOM 19542 C2* A A 914 175.374 100.216 -10.435 0.00 0.00 C ATOM 19543 O2* A A 914 176.164 99.034 -10.538 0.00 0.00 O ATOM 19544 C1* A A 914 174.188 99.840 -9.547 0.00 0.00 C ATOM 19545 N9 A A 914 172.916 100.553 -9.826 0.00 0.00 N ATOM 19546 C8 A A 914 172.321 101.546 -9.081 0.00 0.00 C ATOM 19547 N7 A A 914 171.154 101.939 -9.517 0.00 0.00 N ATOM 19548 C5 A A 914 170.967 101.136 -10.649 0.00 0.00 C ATOM 19549 C6 A A 914 169.945 101.035 -11.620 0.00 0.00 C ATOM 19550 N6 A A 914 168.831 101.744 -11.588 0.00 0.00 N ATOM 19551 N1 A A 914 170.046 100.179 -12.645 0.00 0.00 N ATOM 19552 C2 A A 914 171.116 99.389 -12.677 0.00 0.00 C ATOM 19553 N3 A A 914 172.135 99.331 -11.815 0.00 0.00 N ATOM 19554 C4 A A 914 172.015 100.269 -10.829 0.00 0.00 C ATOM 19555 P A A 915 177.935 102.252 -11.265 0.00 0.00 P ATOM 19556 O1P A A 915 179.350 101.883 -11.482 0.00 0.00 O ATOM 19557 O2P A A 915 177.646 103.689 -11.124 0.00 0.00 O ATOM 19558 O5* A A 915 177.056 101.727 -12.488 0.00 0.00 O ATOM 19559 C5* A A 915 177.370 100.548 -13.209 0.00 0.00 C ATOM 19560 C4* A A 915 176.307 100.313 -14.288 0.00 0.00 C ATOM 19561 O4* A A 915 175.007 100.080 -13.754 0.00 0.00 O ATOM 19562 C3* A A 915 176.124 101.520 -15.195 0.00 0.00 C ATOM 19563 O3* A A 915 177.207 101.734 -16.079 0.00 0.00 O ATOM 19564 C2* A A 915 174.814 101.134 -15.882 0.00 0.00 C ATOM 19565 O2* A A 915 174.983 100.132 -16.877 0.00 0.00 O ATOM 19566 C1* A A 915 174.043 100.543 -14.699 0.00 0.00 C ATOM 19567 N9 A A 915 173.162 101.586 -14.117 0.00 0.00 N ATOM 19568 C8 A A 915 173.350 102.369 -13.003 0.00 0.00 C ATOM 19569 N7 A A 915 172.375 103.205 -12.765 0.00 0.00 N ATOM 19570 C5 A A 915 171.492 102.989 -13.826 0.00 0.00 C ATOM 19571 C6 A A 915 170.266 103.567 -14.235 0.00 0.00 C ATOM 19572 N6 A A 915 169.636 104.540 -13.603 0.00 0.00 N ATOM 19573 N1 A A 915 169.667 103.163 -15.356 0.00 0.00 N ATOM 19574 C2 A A 915 170.234 102.183 -16.051 0.00 0.00 C ATOM 19575 N3 A A 915 171.372 101.541 -15.788 0.00 0.00 N ATOM 19576 C4 A A 915 171.966 102.006 -14.654 0.00 0.00 C ATOM 19577 P U A 916 177.773 103.211 -16.322 0.00 0.00 P ATOM 19578 O1P U A 916 178.728 103.170 -17.445 0.00 0.00 O ATOM 19579 O2P U A 916 178.195 103.745 -15.005 0.00 0.00 O ATOM 19580 O5* U A 916 176.445 103.998 -16.768 0.00 0.00 O ATOM 19581 C5* U A 916 175.784 103.679 -17.977 0.00 0.00 C ATOM 19582 C4* U A 916 174.477 104.460 -18.116 0.00 0.00 C ATOM 19583 O4* U A 916 173.588 104.312 -17.007 0.00 0.00 O ATOM 19584 C3* U A 916 174.680 105.963 -18.282 0.00 0.00 C ATOM 19585 O3* U A 916 175.249 106.296 -19.547 0.00 0.00 O ATOM 19586 C2* U A 916 173.217 106.381 -18.090 0.00 0.00 C ATOM 19587 O2* U A 916 172.494 106.050 -19.267 0.00 0.00 O ATOM 19588 C1* U A 916 172.757 105.474 -16.932 0.00 0.00 C ATOM 19589 N1 U A 916 172.832 106.148 -15.592 0.00 0.00 N ATOM 19590 C2 U A 916 171.910 107.168 -15.308 0.00 0.00 C ATOM 19591 O2 U A 916 171.017 107.504 -16.085 0.00 0.00 O ATOM 19592 N3 U A 916 172.026 107.796 -14.080 0.00 0.00 N ATOM 19593 C4 U A 916 172.916 107.477 -13.083 0.00 0.00 C ATOM 19594 O4 U A 916 172.913 108.111 -12.030 0.00 0.00 O ATOM 19595 C5 U A 916 173.776 106.356 -13.405 0.00 0.00 C ATOM 19596 C6 U A 916 173.724 105.742 -14.619 0.00 0.00 C ATOM 19597 P G A 917 175.763 107.783 -19.869 0.00 0.00 P ATOM 19598 O1P G A 917 176.406 107.862 -21.200 0.00 0.00 O ATOM 19599 O2P G A 917 176.512 108.297 -18.711 0.00 0.00 O ATOM 19600 O5* G A 917 174.460 108.698 -19.977 0.00 0.00 O ATOM 19601 C5* G A 917 173.527 108.593 -21.040 0.00 0.00 C ATOM 19602 C4* G A 917 172.435 109.644 -20.826 0.00 0.00 C ATOM 19603 O4* G A 917 171.732 109.448 -19.602 0.00 0.00 O ATOM 19604 C3* G A 917 172.985 111.064 -20.807 0.00 0.00 C ATOM 19605 O3* G A 917 173.159 111.513 -22.136 0.00 0.00 O ATOM 19606 C2* G A 917 171.860 111.772 -20.055 0.00 0.00 C ATOM 19607 O2* G A 917 170.734 111.980 -20.902 0.00 0.00 O ATOM 19608 C1* G A 917 171.495 110.714 -19.005 0.00 0.00 C ATOM 19609 N9 G A 917 172.271 110.822 -17.739 0.00 0.00 N ATOM 19610 C8 G A 917 173.314 110.058 -17.267 0.00 0.00 C ATOM 19611 N7 G A 917 173.623 110.278 -16.016 0.00 0.00 N ATOM 19612 C5 G A 917 172.770 111.316 -15.636 0.00 0.00 C ATOM 19613 C6 G A 917 172.624 112.042 -14.397 0.00 0.00 C ATOM 19614 O6 G A 917 173.180 111.898 -13.307 0.00 0.00 O ATOM 19615 N1 G A 917 171.707 113.072 -14.487 0.00 0.00 N ATOM 19616 C2 G A 917 170.956 113.330 -15.594 0.00 0.00 C ATOM 19617 N2 G A 917 170.152 114.359 -15.538 0.00 0.00 N ATOM 19618 N3 G A 917 171.022 112.650 -16.735 0.00 0.00 N ATOM 19619 C4 G A 917 171.963 111.665 -16.701 0.00 0.00 C ATOM 19620 P A A 918 174.377 112.430 -22.577 0.00 0.00 P ATOM 19621 O1P A A 918 174.213 112.627 -24.039 0.00 0.00 O ATOM 19622 O2P A A 918 175.609 111.790 -22.044 0.00 0.00 O ATOM 19623 O5* A A 918 174.128 113.819 -21.772 0.00 0.00 O ATOM 19624 C5* A A 918 173.105 114.727 -22.159 0.00 0.00 C ATOM 19625 C4* A A 918 172.824 115.824 -21.116 0.00 0.00 C ATOM 19626 O4* A A 918 172.278 115.235 -19.939 0.00 0.00 O ATOM 19627 C3* A A 918 174.006 116.703 -20.692 0.00 0.00 C ATOM 19628 O3* A A 918 174.277 117.761 -21.612 0.00 0.00 O ATOM 19629 C2* A A 918 173.468 117.186 -19.338 0.00 0.00 C ATOM 19630 O2* A A 918 172.536 118.246 -19.426 0.00 0.00 O ATOM 19631 C1* A A 918 172.685 115.990 -18.810 0.00 0.00 C ATOM 19632 N9 A A 918 173.525 115.175 -17.910 0.00 0.00 N ATOM 19633 C8 A A 918 174.307 114.089 -18.211 0.00 0.00 C ATOM 19634 N7 A A 918 174.929 113.578 -17.185 0.00 0.00 N ATOM 19635 C5 A A 918 174.537 114.402 -16.128 0.00 0.00 C ATOM 19636 C6 A A 918 174.825 114.434 -14.747 0.00 0.00 C ATOM 19637 N6 A A 918 175.603 113.564 -14.128 0.00 0.00 N ATOM 19638 N1 A A 918 174.286 115.377 -13.962 0.00 0.00 N ATOM 19639 C2 A A 918 173.474 116.266 -14.528 0.00 0.00 C ATOM 19640 N3 A A 918 173.115 116.364 -15.808 0.00 0.00 N ATOM 19641 C4 A A 918 173.689 115.385 -16.562 0.00 0.00 C ATOM 19642 P A A 919 175.688 118.551 -21.654 0.00 0.00 P ATOM 19643 O1P A A 919 175.673 119.471 -22.811 0.00 0.00 O ATOM 19644 O2P A A 919 176.788 117.569 -21.514 0.00 0.00 O ATOM 19645 O5* A A 919 175.727 119.462 -20.330 0.00 0.00 O ATOM 19646 C5* A A 919 174.865 120.556 -20.118 0.00 0.00 C ATOM 19647 C4* A A 919 174.832 120.879 -18.620 0.00 0.00 C ATOM 19648 O4* A A 919 174.379 119.746 -17.875 0.00 0.00 O ATOM 19649 C3* A A 919 176.166 121.318 -18.004 0.00 0.00 C ATOM 19650 O3* A A 919 176.429 122.708 -18.176 0.00 0.00 O ATOM 19651 C2* A A 919 175.857 120.971 -16.548 0.00 0.00 C ATOM 19652 O2* A A 919 174.935 121.920 -16.023 0.00 0.00 O ATOM 19653 C1* A A 919 175.141 119.627 -16.682 0.00 0.00 C ATOM 19654 N9 A A 919 176.068 118.456 -16.725 0.00 0.00 N ATOM 19655 C8 A A 919 176.562 117.744 -17.799 0.00 0.00 C ATOM 19656 N7 A A 919 177.256 116.687 -17.480 0.00 0.00 N ATOM 19657 C5 A A 919 177.249 116.706 -16.084 0.00 0.00 C ATOM 19658 C6 A A 919 177.802 115.873 -15.081 0.00 0.00 C ATOM 19659 N6 A A 919 178.468 114.755 -15.333 0.00 0.00 N ATOM 19660 N1 A A 919 177.638 116.169 -13.783 0.00 0.00 N ATOM 19661 C2 A A 919 176.910 117.243 -13.485 0.00 0.00 C ATOM 19662 N3 A A 919 176.321 118.103 -14.315 0.00 0.00 N ATOM 19663 C4 A A 919 176.538 117.781 -15.619 0.00 0.00 C ATOM 19664 P U A 920 177.842 123.352 -17.811 0.00 0.00 P ATOM 19665 O1P U A 920 177.678 124.805 -18.075 0.00 0.00 O ATOM 19666 O2P U A 920 178.866 122.687 -18.641 0.00 0.00 O ATOM 19667 O5* U A 920 178.167 123.126 -16.252 0.00 0.00 O ATOM 19668 C5* U A 920 177.554 123.899 -15.226 0.00 0.00 C ATOM 19669 C4* U A 920 178.118 123.587 -13.831 0.00 0.00 C ATOM 19670 O4* U A 920 177.807 122.271 -13.407 0.00 0.00 O ATOM 19671 C3* U A 920 179.634 123.707 -13.744 0.00 0.00 C ATOM 19672 O3* U A 920 180.044 125.068 -13.772 0.00 0.00 O ATOM 19673 C2* U A 920 179.883 122.914 -12.451 0.00 0.00 C ATOM 19674 O2* U A 920 179.527 123.576 -11.253 0.00 0.00 O ATOM 19675 C1* U A 920 178.869 121.780 -12.594 0.00 0.00 C ATOM 19676 N1 U A 920 179.479 120.563 -13.192 0.00 0.00 N ATOM 19677 C2 U A 920 180.210 119.711 -12.356 0.00 0.00 C ATOM 19678 O2 U A 920 180.530 119.998 -11.199 0.00 0.00 O ATOM 19679 N3 U A 920 180.592 118.501 -12.905 0.00 0.00 N ATOM 19680 C4 U A 920 180.401 118.096 -14.208 0.00 0.00 C ATOM 19681 O4 U A 920 180.797 117.003 -14.588 0.00 0.00 O ATOM 19682 C5 U A 920 179.723 119.069 -15.034 0.00 0.00 C ATOM 19683 C6 U A 920 179.291 120.249 -14.521 0.00 0.00 C ATOM 19684 P U A 921 181.519 125.493 -14.221 0.00 0.00 P ATOM 19685 O1P U A 921 181.542 126.972 -14.262 0.00 0.00 O ATOM 19686 O2P U A 921 181.830 124.772 -15.471 0.00 0.00 O ATOM 19687 O5* U A 921 182.440 124.992 -13.032 0.00 0.00 O ATOM 19688 C5* U A 921 182.364 125.623 -11.769 0.00 0.00 C ATOM 19689 C4* U A 921 183.084 124.785 -10.720 0.00 0.00 C ATOM 19690 O4* U A 921 182.486 123.491 -10.647 0.00 0.00 O ATOM 19691 C3* U A 921 184.562 124.567 -11.037 0.00 0.00 C ATOM 19692 O3* U A 921 185.399 125.640 -10.643 0.00 0.00 O ATOM 19693 C2* U A 921 184.810 123.298 -10.231 0.00 0.00 C ATOM 19694 O2* U A 921 184.859 123.500 -8.840 0.00 0.00 O ATOM 19695 C1* U A 921 183.508 122.533 -10.388 0.00 0.00 C ATOM 19696 N1 U A 921 183.657 121.488 -11.429 0.00 0.00 N ATOM 19697 C2 U A 921 184.200 120.263 -11.028 0.00 0.00 C ATOM 19698 O2 U A 921 184.670 120.054 -9.905 0.00 0.00 O ATOM 19699 N3 U A 921 184.181 119.257 -11.969 0.00 0.00 N ATOM 19700 C4 U A 921 183.735 119.357 -13.265 0.00 0.00 C ATOM 19701 O4 U A 921 183.737 118.362 -13.978 0.00 0.00 O ATOM 19702 C5 U A 921 183.290 120.685 -13.639 0.00 0.00 C ATOM 19703 C6 U A 921 183.279 121.700 -12.736 0.00 0.00 C ATOM 19704 P G A 922 186.675 126.043 -11.514 0.00 0.00 P ATOM 19705 O1P G A 922 187.359 127.136 -10.804 0.00 0.00 O ATOM 19706 O2P G A 922 186.142 126.303 -12.872 0.00 0.00 O ATOM 19707 O5* G A 922 187.583 124.716 -11.478 0.00 0.00 O ATOM 19708 C5* G A 922 188.320 124.415 -10.303 0.00 0.00 C ATOM 19709 C4* G A 922 188.802 122.966 -10.202 0.00 0.00 C ATOM 19710 O4* G A 922 187.805 122.043 -10.589 0.00 0.00 O ATOM 19711 C3* G A 922 189.993 122.513 -11.044 0.00 0.00 C ATOM 19712 O3* G A 922 191.236 123.101 -10.681 0.00 0.00 O ATOM 19713 C2* G A 922 189.911 121.019 -10.709 0.00 0.00 C ATOM 19714 O2* G A 922 190.327 120.837 -9.354 0.00 0.00 O ATOM 19715 C1* G A 922 188.401 120.778 -10.825 0.00 0.00 C ATOM 19716 N9 G A 922 187.928 120.300 -12.154 0.00 0.00 N ATOM 19717 C8 G A 922 187.265 120.995 -13.134 0.00 0.00 C ATOM 19718 N7 G A 922 186.814 120.258 -14.116 0.00 0.00 N ATOM 19719 C5 G A 922 187.236 118.964 -13.789 0.00 0.00 C ATOM 19720 C6 G A 922 187.081 117.685 -14.446 0.00 0.00 C ATOM 19721 O6 G A 922 186.495 117.374 -15.482 0.00 0.00 O ATOM 19722 N1 G A 922 187.723 116.653 -13.788 0.00 0.00 N ATOM 19723 C2 G A 922 188.381 116.798 -12.612 0.00 0.00 C ATOM 19724 N2 G A 922 188.942 115.735 -12.092 0.00 0.00 N ATOM 19725 N3 G A 922 188.504 117.949 -11.963 0.00 0.00 N ATOM 19726 C4 G A 922 187.929 119.001 -12.598 0.00 0.00 C ATOM 19727 P A A 923 192.437 123.236 -11.744 0.00 0.00 P ATOM 19728 O1P A A 923 193.365 124.269 -11.243 0.00 0.00 O ATOM 19729 O2P A A 923 191.831 123.416 -13.077 0.00 0.00 O ATOM 19730 O5* A A 923 193.210 121.797 -11.816 0.00 0.00 O ATOM 19731 C5* A A 923 193.629 121.010 -10.712 0.00 0.00 C ATOM 19732 C4* A A 923 193.621 119.508 -10.986 0.00 0.00 C ATOM 19733 O4* A A 923 192.313 118.971 -11.136 0.00 0.00 O ATOM 19734 C3* A A 923 194.429 119.088 -12.214 0.00 0.00 C ATOM 19735 O3* A A 923 195.835 119.066 -12.005 0.00 0.00 O ATOM 19736 C2* A A 923 193.807 117.701 -12.387 0.00 0.00 C ATOM 19737 O2* A A 923 194.150 116.820 -11.326 0.00 0.00 O ATOM 19738 C1* A A 923 192.331 118.012 -12.187 0.00 0.00 C ATOM 19739 N9 A A 923 191.695 118.604 -13.386 0.00 0.00 N ATOM 19740 C8 A A 923 191.447 119.936 -13.637 0.00 0.00 C ATOM 19741 N7 A A 923 190.723 120.165 -14.687 0.00 0.00 N ATOM 19742 C5 A A 923 190.492 118.886 -15.178 0.00 0.00 C ATOM 19743 C6 A A 923 189.745 118.421 -16.266 0.00 0.00 C ATOM 19744 N6 A A 923 189.083 119.283 -17.006 0.00 0.00 N ATOM 19745 N1 A A 923 189.671 117.113 -16.552 0.00 0.00 N ATOM 19746 C2 A A 923 190.332 116.285 -15.746 0.00 0.00 C ATOM 19747 N3 A A 923 191.059 116.580 -14.665 0.00 0.00 N ATOM 19748 C4 A A 923 191.098 117.923 -14.425 0.00 0.00 C ATOM 19749 P C A 924 196.855 119.504 -13.168 0.00 0.00 P ATOM 19750 O1P C A 924 198.213 119.302 -12.610 0.00 0.00 O ATOM 19751 O2P C A 924 196.473 120.861 -13.609 0.00 0.00 O ATOM 19752 O5* C A 924 196.620 118.438 -14.361 0.00 0.00 O ATOM 19753 C5* C A 924 196.952 117.065 -14.195 0.00 0.00 C ATOM 19754 C4* C A 924 196.397 116.125 -15.292 0.00 0.00 C ATOM 19755 O4* C A 924 194.972 116.078 -15.350 0.00 0.00 O ATOM 19756 C3* C A 924 196.859 116.469 -16.706 0.00 0.00 C ATOM 19757 O3* C A 924 198.191 116.049 -16.965 0.00 0.00 O ATOM 19758 C2* C A 924 195.799 115.739 -17.542 0.00 0.00 C ATOM 19759 O2* C A 924 196.034 114.336 -17.636 0.00 0.00 O ATOM 19760 C1* C A 924 194.533 115.989 -16.709 0.00 0.00 C ATOM 19761 N1 C A 924 193.819 117.244 -17.115 0.00 0.00 N ATOM 19762 C2 C A 924 192.916 117.230 -18.199 0.00 0.00 C ATOM 19763 O2 C A 924 192.696 116.211 -18.859 0.00 0.00 O ATOM 19764 N3 C A 924 192.260 118.371 -18.548 0.00 0.00 N ATOM 19765 C4 C A 924 192.474 119.487 -17.851 0.00 0.00 C ATOM 19766 N4 C A 924 191.816 120.577 -18.169 0.00 0.00 N ATOM 19767 C5 C A 924 193.378 119.549 -16.757 0.00 0.00 C ATOM 19768 C6 C A 924 194.015 118.410 -16.412 0.00 0.00 C ATOM 19769 P G A 925 199.056 116.705 -18.133 0.00 0.00 P ATOM 19770 O1P G A 925 200.419 116.124 -18.038 0.00 0.00 O ATOM 19771 O2P G A 925 198.936 118.172 -17.966 0.00 0.00 O ATOM 19772 O5* G A 925 198.364 116.296 -19.505 0.00 0.00 O ATOM 19773 C5* G A 925 198.397 114.968 -19.979 0.00 0.00 C ATOM 19774 C4* G A 925 197.618 114.870 -21.285 0.00 0.00 C ATOM 19775 O4* G A 925 196.222 115.097 -21.102 0.00 0.00 O ATOM 19776 C3* G A 925 198.080 115.861 -22.353 0.00 0.00 C ATOM 19777 O3* G A 925 199.333 115.491 -22.903 0.00 0.00 O ATOM 19778 C2* G A 925 196.860 115.728 -23.273 0.00 0.00 C ATOM 19779 O2* G A 925 196.764 114.441 -23.863 0.00 0.00 O ATOM 19780 C1* G A 925 195.696 115.712 -22.280 0.00 0.00 C ATOM 19781 N9 G A 925 195.168 117.043 -21.902 0.00 0.00 N ATOM 19782 C8 G A 925 195.590 117.806 -20.848 0.00 0.00 C ATOM 19783 N7 G A 925 194.858 118.855 -20.599 0.00 0.00 N ATOM 19784 C5 G A 925 193.856 118.788 -21.579 0.00 0.00 C ATOM 19785 C6 G A 925 192.730 119.647 -21.837 0.00 0.00 C ATOM 19786 O6 G A 925 192.340 120.645 -21.239 0.00 0.00 O ATOM 19787 N1 G A 925 192.002 119.274 -22.947 0.00 0.00 N ATOM 19788 C2 G A 925 192.292 118.208 -23.732 0.00 0.00 C ATOM 19789 N2 G A 925 191.514 118.142 -24.792 0.00 0.00 N ATOM 19790 N3 G A 925 193.299 117.346 -23.498 0.00 0.00 N ATOM 19791 C4 G A 925 194.056 117.695 -22.406 0.00 0.00 C ATOM 19792 P G A 926 200.324 116.537 -23.633 0.00 0.00 P ATOM 19793 O1P G A 926 201.492 116.782 -22.753 0.00 0.00 O ATOM 19794 O2P G A 926 199.564 117.694 -24.191 0.00 0.00 O ATOM 19795 O5* G A 926 200.805 115.571 -24.824 0.00 0.00 O ATOM 19796 C5* G A 926 201.031 116.028 -26.141 0.00 0.00 C ATOM 19797 C4* G A 926 201.261 114.835 -27.088 0.00 0.00 C ATOM 19798 O4* G A 926 202.240 113.926 -26.583 0.00 0.00 O ATOM 19799 C3* G A 926 200.003 114.000 -27.298 0.00 0.00 C ATOM 19800 O3* G A 926 199.112 114.510 -28.275 0.00 0.00 O ATOM 19801 C2* G A 926 200.568 112.635 -27.704 0.00 0.00 C ATOM 19802 O2* G A 926 200.967 112.478 -29.060 0.00 0.00 O ATOM 19803 C1* G A 926 201.840 112.581 -26.865 0.00 0.00 C ATOM 19804 N9 G A 926 201.619 111.788 -25.632 0.00 0.00 N ATOM 19805 C8 G A 926 201.151 112.199 -24.409 0.00 0.00 C ATOM 19806 N7 G A 926 201.143 111.262 -23.498 0.00 0.00 N ATOM 19807 C5 G A 926 201.598 110.126 -24.178 0.00 0.00 C ATOM 19808 C6 G A 926 201.800 108.769 -23.737 0.00 0.00 C ATOM 19809 O6 G A 926 201.665 108.281 -22.618 0.00 0.00 O ATOM 19810 N1 G A 926 202.222 107.914 -24.742 0.00 0.00 N ATOM 19811 C2 G A 926 202.495 108.334 -26.016 0.00 0.00 C ATOM 19812 N2 G A 926 202.991 107.446 -26.857 0.00 0.00 N ATOM 19813 N3 G A 926 202.339 109.586 -26.463 0.00 0.00 N ATOM 19814 C4 G A 926 201.873 110.439 -25.494 0.00 0.00 C ATOM 19815 P G A 927 197.648 115.059 -27.871 0.00 0.00 P ATOM 19816 O1P G A 927 197.225 114.370 -26.615 0.00 0.00 O ATOM 19817 O2P G A 927 196.809 114.987 -29.087 0.00 0.00 O ATOM 19818 O5* G A 927 197.886 116.621 -27.521 0.00 0.00 O ATOM 19819 C5* G A 927 196.869 117.390 -26.895 0.00 0.00 C ATOM 19820 C4* G A 927 195.970 118.144 -27.890 0.00 0.00 C ATOM 19821 O4* G A 927 194.639 118.182 -27.384 0.00 0.00 O ATOM 19822 C3* G A 927 196.365 119.608 -28.108 0.00 0.00 C ATOM 19823 O3* G A 927 197.367 119.789 -29.092 0.00 0.00 O ATOM 19824 C2* G A 927 195.027 120.274 -28.445 0.00 0.00 C ATOM 19825 O2* G A 927 194.655 120.120 -29.806 0.00 0.00 O ATOM 19826 C1* G A 927 194.099 119.495 -27.503 0.00 0.00 C ATOM 19827 N9 G A 927 194.075 120.154 -26.171 0.00 0.00 N ATOM 19828 C8 G A 927 194.800 119.846 -25.048 0.00 0.00 C ATOM 19829 N7 G A 927 194.662 120.692 -24.066 0.00 0.00 N ATOM 19830 C5 G A 927 193.723 121.611 -24.545 0.00 0.00 C ATOM 19831 C6 G A 927 193.096 122.755 -23.929 0.00 0.00 C ATOM 19832 O6 G A 927 193.196 123.228 -22.799 0.00 0.00 O ATOM 19833 N1 G A 927 192.231 123.406 -24.777 0.00 0.00 N ATOM 19834 C2 G A 927 191.930 123.004 -26.035 0.00 0.00 C ATOM 19835 N2 G A 927 191.033 123.742 -26.646 0.00 0.00 N ATOM 19836 N3 G A 927 192.459 121.936 -26.634 0.00 0.00 N ATOM 19837 C4 G A 927 193.356 121.280 -25.836 0.00 0.00 C ATOM 19838 P G A 928 198.330 121.059 -29.043 0.00 0.00 P ATOM 19839 O1P G A 928 199.260 120.938 -30.192 0.00 0.00 O ATOM 19840 O2P G A 928 198.859 121.113 -27.649 0.00 0.00 O ATOM 19841 O5* G A 928 197.328 122.304 -29.273 0.00 0.00 O ATOM 19842 C5* G A 928 196.732 122.565 -30.539 0.00 0.00 C ATOM 19843 C4* G A 928 195.778 123.764 -30.490 0.00 0.00 C ATOM 19844 O4* G A 928 194.661 123.562 -29.628 0.00 0.00 O ATOM 19845 C3* G A 928 196.439 125.052 -30.015 0.00 0.00 C ATOM 19846 O3* G A 928 197.304 125.601 -30.986 0.00 0.00 O ATOM 19847 C2* G A 928 195.179 125.879 -29.738 0.00 0.00 C ATOM 19848 O2* G A 928 194.554 126.299 -30.952 0.00 0.00 O ATOM 19849 C1* G A 928 194.336 124.812 -29.022 0.00 0.00 C ATOM 19850 N9 G A 928 194.665 124.775 -27.570 0.00 0.00 N ATOM 19851 C8 G A 928 195.450 123.892 -26.871 0.00 0.00 C ATOM 19852 N7 G A 928 195.567 124.166 -25.599 0.00 0.00 N ATOM 19853 C5 G A 928 194.809 125.331 -25.426 0.00 0.00 C ATOM 19854 C6 G A 928 194.532 126.152 -24.267 0.00 0.00 C ATOM 19855 O6 G A 928 194.867 126.020 -23.090 0.00 0.00 O ATOM 19856 N1 G A 928 193.762 127.264 -24.564 0.00 0.00 N ATOM 19857 C2 G A 928 193.277 127.537 -25.813 0.00 0.00 C ATOM 19858 N2 G A 928 192.628 128.660 -26.001 0.00 0.00 N ATOM 19859 N3 G A 928 193.480 126.788 -26.893 0.00 0.00 N ATOM 19860 C4 G A 928 194.259 125.700 -26.638 0.00 0.00 C ATOM 19861 P G A 929 198.425 126.660 -30.596 0.00 0.00 P ATOM 19862 O1P G A 929 199.117 127.015 -31.853 0.00 0.00 O ATOM 19863 O2P G A 929 199.189 126.120 -29.446 0.00 0.00 O ATOM 19864 O5* G A 929 197.624 127.943 -30.064 0.00 0.00 O ATOM 19865 C5* G A 929 196.890 128.770 -30.944 0.00 0.00 C ATOM 19866 C4* G A 929 196.213 129.899 -30.165 0.00 0.00 C ATOM 19867 O4* G A 929 195.342 129.380 -29.164 0.00 0.00 O ATOM 19868 C3* G A 929 197.214 130.825 -29.475 0.00 0.00 C ATOM 19869 O3* G A 929 197.694 131.849 -30.337 0.00 0.00 O ATOM 19870 C2* G A 929 196.344 131.377 -28.347 0.00 0.00 C ATOM 19871 O2* G A 929 195.501 132.449 -28.764 0.00 0.00 O ATOM 19872 C1* G A 929 195.484 130.160 -27.987 0.00 0.00 C ATOM 19873 N9 G A 929 196.082 129.396 -26.862 0.00 0.00 N ATOM 19874 C8 G A 929 196.762 128.204 -26.827 0.00 0.00 C ATOM 19875 N7 G A 929 197.134 127.835 -25.625 0.00 0.00 N ATOM 19876 C5 G A 929 196.644 128.849 -24.787 0.00 0.00 C ATOM 19877 C6 G A 929 196.693 129.054 -23.355 0.00 0.00 C ATOM 19878 O6 G A 929 197.168 128.348 -22.461 0.00 0.00 O ATOM 19879 N1 G A 929 196.138 130.265 -22.967 0.00 0.00 N ATOM 19880 C2 G A 929 195.559 131.152 -23.834 0.00 0.00 C ATOM 19881 N2 G A 929 195.129 132.305 -23.384 0.00 0.00 N ATOM 19882 N3 G A 929 195.456 130.974 -25.145 0.00 0.00 N ATOM 19883 C4 G A 929 196.023 129.809 -25.558 0.00 0.00 C ATOM 19884 P C A 930 199.090 132.588 -30.066 0.00 0.00 P ATOM 19885 O1P C A 930 199.074 133.741 -31.006 0.00 0.00 O ATOM 19886 O2P C A 930 200.193 131.606 -30.060 0.00 0.00 O ATOM 19887 O5* C A 930 198.916 133.192 -28.591 0.00 0.00 O ATOM 19888 C5* C A 930 198.203 134.397 -28.400 0.00 0.00 C ATOM 19889 C4* C A 930 198.156 134.838 -26.940 0.00 0.00 C ATOM 19890 O4* C A 930 197.495 133.905 -26.094 0.00 0.00 O ATOM 19891 C3* C A 930 199.537 135.071 -26.348 0.00 0.00 C ATOM 19892 O3* C A 930 200.099 136.296 -26.791 0.00 0.00 O ATOM 19893 C2* C A 930 199.153 135.072 -24.867 0.00 0.00 C ATOM 19894 O2* C A 930 198.543 136.302 -24.472 0.00 0.00 O ATOM 19895 C1* C A 930 198.099 133.959 -24.801 0.00 0.00 C ATOM 19896 N1 C A 930 198.705 132.650 -24.405 0.00 0.00 N ATOM 19897 C2 C A 930 198.948 132.389 -23.043 0.00 0.00 C ATOM 19898 O2 C A 930 198.739 133.244 -22.179 0.00 0.00 O ATOM 19899 N3 C A 930 199.438 131.178 -22.656 0.00 0.00 N ATOM 19900 C4 C A 930 199.677 130.256 -23.583 0.00 0.00 C ATOM 19901 N4 C A 930 200.103 129.082 -23.182 0.00 0.00 N ATOM 19902 C5 C A 930 199.474 130.481 -24.975 0.00 0.00 C ATOM 19903 C6 C A 930 198.996 131.691 -25.346 0.00 0.00 C ATOM 19904 P C A 931 201.674 136.559 -26.747 0.00 0.00 P ATOM 19905 O1P C A 931 201.848 138.014 -26.949 0.00 0.00 O ATOM 19906 O2P C A 931 202.307 135.607 -27.691 0.00 0.00 O ATOM 19907 O5* C A 931 202.111 136.184 -25.239 0.00 0.00 O ATOM 19908 C5* C A 931 201.815 137.062 -24.165 0.00 0.00 C ATOM 19909 C4* C A 931 202.116 136.514 -22.759 0.00 0.00 C ATOM 19910 O4* C A 931 201.455 135.294 -22.435 0.00 0.00 O ATOM 19911 C3* C A 931 203.585 136.256 -22.459 0.00 0.00 C ATOM 19912 O3* C A 931 204.333 137.462 -22.392 0.00 0.00 O ATOM 19913 C2* C A 931 203.414 135.504 -21.129 0.00 0.00 C ATOM 19914 O2* C A 931 203.089 136.346 -20.036 0.00 0.00 O ATOM 19915 C1* C A 931 202.155 134.669 -21.355 0.00 0.00 C ATOM 19916 N1 C A 931 202.482 133.237 -21.616 0.00 0.00 N ATOM 19917 C2 C A 931 202.797 132.387 -20.538 0.00 0.00 C ATOM 19918 O2 C A 931 202.853 132.790 -19.374 0.00 0.00 O ATOM 19919 N3 C A 931 203.033 131.067 -20.765 0.00 0.00 N ATOM 19920 C4 C A 931 202.961 130.600 -22.005 0.00 0.00 C ATOM 19921 N4 C A 931 203.151 129.313 -22.166 0.00 0.00 N ATOM 19922 C5 C A 931 202.687 131.425 -23.133 0.00 0.00 C ATOM 19923 C6 C A 931 202.452 132.737 -22.896 0.00 0.00 C ATOM 19924 P C A 932 205.908 137.456 -22.085 0.00 0.00 P ATOM 19925 O1P C A 932 206.462 138.793 -22.408 0.00 0.00 O ATOM 19926 O2P C A 932 206.491 136.239 -22.691 0.00 0.00 O ATOM 19927 O5* C A 932 205.905 137.261 -20.486 0.00 0.00 O ATOM 19928 C5* C A 932 206.962 136.583 -19.840 0.00 0.00 C ATOM 19929 C4* C A 932 206.537 136.164 -18.432 0.00 0.00 C ATOM 19930 O4* C A 932 205.564 135.123 -18.411 0.00 0.00 O ATOM 19931 C3* C A 932 207.757 135.647 -17.685 0.00 0.00 C ATOM 19932 O3* C A 932 208.439 136.736 -17.097 0.00 0.00 O ATOM 19933 C2* C A 932 207.117 134.685 -16.690 0.00 0.00 C ATOM 19934 O2* C A 932 206.512 135.385 -15.607 0.00 0.00 O ATOM 19935 C1* C A 932 206.000 134.068 -17.549 0.00 0.00 C ATOM 19936 N1 C A 932 206.388 132.861 -18.357 0.00 0.00 N ATOM 19937 C2 C A 932 206.655 131.638 -17.709 0.00 0.00 C ATOM 19938 O2 C A 932 206.759 131.554 -16.481 0.00 0.00 O ATOM 19939 N3 C A 932 206.806 130.500 -18.447 0.00 0.00 N ATOM 19940 C4 C A 932 206.705 130.556 -19.772 0.00 0.00 C ATOM 19941 N4 C A 932 206.873 129.445 -20.451 0.00 0.00 N ATOM 19942 C5 C A 932 206.449 131.763 -20.475 0.00 0.00 C ATOM 19943 C6 C A 932 206.298 132.885 -19.735 0.00 0.00 C ATOM 19944 P G A 933 210.006 136.929 -17.273 0.00 0.00 P ATOM 19945 O1P G A 933 210.290 138.268 -16.719 0.00 0.00 O ATOM 19946 O2P G A 933 210.347 136.613 -18.675 0.00 0.00 O ATOM 19947 O5* G A 933 210.597 135.781 -16.333 0.00 0.00 O ATOM 19948 C5* G A 933 210.562 135.918 -14.928 0.00 0.00 C ATOM 19949 C4* G A 933 210.880 134.588 -14.256 0.00 0.00 C ATOM 19950 O4* G A 933 209.948 133.593 -14.646 0.00 0.00 O ATOM 19951 C3* G A 933 212.280 134.061 -14.571 0.00 0.00 C ATOM 19952 O3* G A 933 213.241 134.666 -13.726 0.00 0.00 O ATOM 19953 C2* G A 933 212.070 132.590 -14.224 0.00 0.00 C ATOM 19954 O2* G A 933 212.123 132.366 -12.821 0.00 0.00 O ATOM 19955 C1* G A 933 210.627 132.353 -14.674 0.00 0.00 C ATOM 19956 N9 G A 933 210.535 131.749 -16.022 0.00 0.00 N ATOM 19957 C8 G A 933 210.416 132.316 -17.267 0.00 0.00 C ATOM 19958 N7 G A 933 210.274 131.450 -18.243 0.00 0.00 N ATOM 19959 C5 G A 933 210.304 130.211 -17.588 0.00 0.00 C ATOM 19960 C6 G A 933 210.205 128.859 -18.075 0.00 0.00 C ATOM 19961 O6 G A 933 210.053 128.463 -19.237 0.00 0.00 O ATOM 19962 N1 G A 933 210.326 127.915 -17.055 0.00 0.00 N ATOM 19963 C2 G A 933 210.531 128.233 -15.734 0.00 0.00 C ATOM 19964 N2 G A 933 210.688 127.287 -14.841 0.00 0.00 N ATOM 19965 N3 G A 933 210.600 129.467 -15.263 0.00 0.00 N ATOM 19966 C4 G A 933 210.485 130.405 -16.237 0.00 0.00 C ATOM 19967 P C A 934 214.638 135.226 -14.261 0.00 0.00 P ATOM 19968 O1P C A 934 215.251 135.742 -13.012 0.00 0.00 O ATOM 19969 O2P C A 934 214.374 136.130 -15.390 0.00 0.00 O ATOM 19970 O5* C A 934 215.430 133.935 -14.767 0.00 0.00 O ATOM 19971 C5* C A 934 216.112 133.080 -13.872 0.00 0.00 C ATOM 19972 C4* C A 934 216.738 131.936 -14.669 0.00 0.00 C ATOM 19973 O4* C A 934 217.762 132.457 -15.517 0.00 0.00 O ATOM 19974 C3* C A 934 217.369 130.859 -13.762 0.00 0.00 C ATOM 19975 O3* C A 934 216.870 129.577 -14.105 0.00 0.00 O ATOM 19976 C2* C A 934 218.863 131.043 -14.080 0.00 0.00 C ATOM 19977 O2* C A 934 219.679 129.895 -14.033 0.00 0.00 O ATOM 19978 C1* C A 934 218.825 131.533 -15.516 0.00 0.00 C ATOM 19979 N1 C A 934 220.103 132.124 -16.019 0.00 0.00 N ATOM 19980 C2 C A 934 220.538 131.783 -17.310 0.00 0.00 C ATOM 19981 O2 C A 934 219.827 131.142 -18.082 0.00 0.00 O ATOM 19982 N3 C A 934 221.757 132.203 -17.745 0.00 0.00 N ATOM 19983 C4 C A 934 222.480 133.000 -16.974 0.00 0.00 C ATOM 19984 N4 C A 934 223.580 133.463 -17.515 0.00 0.00 N ATOM 19985 C5 C A 934 222.049 133.448 -15.690 0.00 0.00 C ATOM 19986 C6 C A 934 220.860 132.973 -15.243 0.00 0.00 C ATOM 19987 P A A 935 215.455 129.046 -13.539 0.00 0.00 P ATOM 19988 O1P A A 935 214.516 130.191 -13.431 0.00 0.00 O ATOM 19989 O2P A A 935 215.695 128.193 -12.358 0.00 0.00 O ATOM 19990 O5* A A 935 214.977 128.124 -14.763 0.00 0.00 O ATOM 19991 C5* A A 935 214.737 126.735 -14.624 0.00 0.00 C ATOM 19992 C4* A A 935 214.315 126.140 -15.968 0.00 0.00 C ATOM 19993 O4* A A 935 213.172 126.823 -16.476 0.00 0.00 O ATOM 19994 C3* A A 935 215.386 126.194 -17.063 0.00 0.00 C ATOM 19995 O3* A A 935 216.354 125.148 -16.982 0.00 0.00 O ATOM 19996 C2* A A 935 214.455 126.071 -18.273 0.00 0.00 C ATOM 19997 O2* A A 935 213.886 124.769 -18.346 0.00 0.00 O ATOM 19998 C1* A A 935 213.297 126.985 -17.881 0.00 0.00 C ATOM 19999 N9 A A 935 213.489 128.425 -18.197 0.00 0.00 N ATOM 20000 C8 A A 935 213.701 129.476 -17.330 0.00 0.00 C ATOM 20001 N7 A A 935 213.745 130.650 -17.899 0.00 0.00 N ATOM 20002 C5 A A 935 213.515 130.358 -19.241 0.00 0.00 C ATOM 20003 C6 A A 935 213.425 131.146 -20.408 0.00 0.00 C ATOM 20004 N6 A A 935 213.626 132.453 -20.451 0.00 0.00 N ATOM 20005 N1 A A 935 213.163 130.581 -21.592 0.00 0.00 N ATOM 20006 C2 A A 935 213.017 129.259 -21.627 0.00 0.00 C ATOM 20007 N3 A A 935 213.069 128.390 -20.623 0.00 0.00 N ATOM 20008 C4 A A 935 213.337 129.011 -19.435 0.00 0.00 C ATOM 20009 P C A 936 217.802 125.292 -17.681 0.00 0.00 P ATOM 20010 O1P C A 936 218.603 124.072 -17.408 0.00 0.00 O ATOM 20011 O2P C A 936 218.330 126.628 -17.350 0.00 0.00 O ATOM 20012 O5* C A 936 217.489 125.304 -19.247 0.00 0.00 O ATOM 20013 C5* C A 936 217.200 124.119 -19.956 0.00 0.00 C ATOM 20014 C4* C A 936 216.844 124.471 -21.398 0.00 0.00 C ATOM 20015 O4* C A 936 215.791 125.426 -21.408 0.00 0.00 O ATOM 20016 C3* C A 936 217.995 125.068 -22.213 0.00 0.00 C ATOM 20017 O3* C A 936 218.909 124.080 -22.686 0.00 0.00 O ATOM 20018 C2* C A 936 217.152 125.720 -23.319 0.00 0.00 C ATOM 20019 O2* C A 936 216.710 124.734 -24.249 0.00 0.00 O ATOM 20020 C1* C A 936 215.954 126.272 -22.529 0.00 0.00 C ATOM 20021 N1 C A 936 216.159 127.702 -22.123 0.00 0.00 N ATOM 20022 C2 C A 936 215.914 128.690 -23.079 0.00 0.00 C ATOM 20023 O2 C A 936 215.492 128.386 -24.196 0.00 0.00 O ATOM 20024 N3 C A 936 216.121 130.006 -22.798 0.00 0.00 N ATOM 20025 C4 C A 936 216.512 130.341 -21.571 0.00 0.00 C ATOM 20026 N4 C A 936 216.728 131.616 -21.332 0.00 0.00 N ATOM 20027 C5 C A 936 216.723 129.381 -20.542 0.00 0.00 C ATOM 20028 C6 C A 936 216.555 128.073 -20.858 0.00 0.00 C ATOM 20029 P A A 937 220.417 124.436 -23.141 0.00 0.00 P ATOM 20030 O1P A A 937 220.984 123.238 -23.794 0.00 0.00 O ATOM 20031 O2P A A 937 221.118 124.987 -21.961 0.00 0.00 O ATOM 20032 O5* A A 937 220.264 125.613 -24.244 0.00 0.00 O ATOM 20033 C5* A A 937 219.893 125.348 -25.589 0.00 0.00 C ATOM 20034 C4* A A 937 219.583 126.633 -26.377 0.00 0.00 C ATOM 20035 O4* A A 937 218.525 127.387 -25.792 0.00 0.00 O ATOM 20036 C3* A A 937 220.765 127.584 -26.526 0.00 0.00 C ATOM 20037 O3* A A 937 221.611 127.223 -27.601 0.00 0.00 O ATOM 20038 C2* A A 937 220.035 128.908 -26.776 0.00 0.00 C ATOM 20039 O2* A A 937 219.511 129.035 -28.092 0.00 0.00 O ATOM 20040 C1* A A 937 218.846 128.769 -25.827 0.00 0.00 C ATOM 20041 N9 A A 937 219.173 129.280 -24.474 0.00 0.00 N ATOM 20042 C8 A A 937 219.445 128.589 -23.314 0.00 0.00 C ATOM 20043 N7 A A 937 219.643 129.347 -22.272 0.00 0.00 N ATOM 20044 C5 A A 937 219.554 130.638 -22.795 0.00 0.00 C ATOM 20045 C6 A A 937 219.732 131.930 -22.256 0.00 0.00 C ATOM 20046 N6 A A 937 220.014 132.194 -20.996 0.00 0.00 N ATOM 20047 N1 A A 937 219.637 133.006 -23.041 0.00 0.00 N ATOM 20048 C2 A A 937 219.330 132.830 -24.320 0.00 0.00 C ATOM 20049 N3 A A 937 219.114 131.683 -24.971 0.00 0.00 N ATOM 20050 C4 A A 937 219.263 130.610 -24.135 0.00 0.00 C ATOM 20051 P A A 938 223.203 127.326 -27.476 0.00 0.00 P ATOM 20052 O1P A A 938 223.790 126.930 -28.772 0.00 0.00 O ATOM 20053 O2P A A 938 223.606 126.649 -26.226 0.00 0.00 O ATOM 20054 O5* A A 938 223.430 128.901 -27.270 0.00 0.00 O ATOM 20055 C5* A A 938 223.347 129.831 -28.331 0.00 0.00 C ATOM 20056 C4* A A 938 223.730 131.219 -27.813 0.00 0.00 C ATOM 20057 O4* A A 938 222.786 131.735 -26.873 0.00 0.00 O ATOM 20058 C3* A A 938 225.113 131.218 -27.157 0.00 0.00 C ATOM 20059 O3* A A 938 226.130 131.363 -28.138 0.00 0.00 O ATOM 20060 C2* A A 938 224.954 132.453 -26.275 0.00 0.00 C ATOM 20061 O2* A A 938 225.118 133.618 -27.069 0.00 0.00 O ATOM 20062 C1* A A 938 223.494 132.373 -25.814 0.00 0.00 C ATOM 20063 N9 A A 938 223.319 131.582 -24.570 0.00 0.00 N ATOM 20064 C8 A A 938 222.848 130.295 -24.457 0.00 0.00 C ATOM 20065 N7 A A 938 222.674 129.893 -23.233 0.00 0.00 N ATOM 20066 C5 A A 938 223.061 130.993 -22.469 0.00 0.00 C ATOM 20067 C6 A A 938 223.077 131.257 -21.082 0.00 0.00 C ATOM 20068 N6 A A 938 222.623 130.413 -20.171 0.00 0.00 N ATOM 20069 N1 A A 938 223.545 132.423 -20.614 0.00 0.00 N ATOM 20070 C2 A A 938 223.916 133.333 -21.510 0.00 0.00 C ATOM 20071 N3 A A 938 223.924 133.249 -22.845 0.00 0.00 N ATOM 20072 C4 A A 938 223.477 132.027 -23.269 0.00 0.00 C ATOM 20073 P G A 939 227.636 130.892 -27.900 0.00 0.00 P ATOM 20074 O1P G A 939 228.419 131.680 -28.891 0.00 0.00 O ATOM 20075 O2P G A 939 227.665 129.422 -27.947 0.00 0.00 O ATOM 20076 O5* G A 939 228.008 131.379 -26.408 0.00 0.00 O ATOM 20077 C5* G A 939 228.497 132.682 -26.189 0.00 0.00 C ATOM 20078 C4* G A 939 228.658 133.045 -24.707 0.00 0.00 C ATOM 20079 O4* G A 939 227.452 132.848 -23.984 0.00 0.00 O ATOM 20080 C3* G A 939 229.731 132.265 -23.956 0.00 0.00 C ATOM 20081 O3* G A 939 231.039 132.738 -24.244 0.00 0.00 O ATOM 20082 C2* G A 939 229.303 132.588 -22.523 0.00 0.00 C ATOM 20083 O2* G A 939 229.793 133.871 -22.132 0.00 0.00 O ATOM 20084 C1* G A 939 227.775 132.666 -22.619 0.00 0.00 C ATOM 20085 N9 G A 939 227.094 131.479 -22.036 0.00 0.00 N ATOM 20086 C8 G A 939 226.550 130.363 -22.622 0.00 0.00 C ATOM 20087 N7 G A 939 225.951 129.554 -21.781 0.00 0.00 N ATOM 20088 C5 G A 939 226.073 130.194 -20.542 0.00 0.00 C ATOM 20089 C6 G A 939 225.588 129.877 -19.215 0.00 0.00 C ATOM 20090 O6 G A 939 224.916 128.926 -18.813 0.00 0.00 O ATOM 20091 N1 G A 939 225.962 130.815 -18.264 0.00 0.00 N ATOM 20092 C2 G A 939 226.751 131.896 -18.537 0.00 0.00 C ATOM 20093 N2 G A 939 227.111 132.697 -17.564 0.00 0.00 N ATOM 20094 N3 G A 939 227.206 132.216 -19.740 0.00 0.00 N ATOM 20095 C4 G A 939 226.817 131.342 -20.703 0.00 0.00 C ATOM 20096 P C A 940 232.351 131.931 -23.784 0.00 0.00 P ATOM 20097 O1P C A 940 233.483 132.671 -24.389 0.00 0.00 O ATOM 20098 O2P C A 940 232.137 130.512 -24.133 0.00 0.00 O ATOM 20099 O5* C A 940 232.439 132.035 -22.171 0.00 0.00 O ATOM 20100 C5* C A 940 233.125 133.082 -21.501 0.00 0.00 C ATOM 20101 C4* C A 940 233.019 132.979 -19.965 0.00 0.00 C ATOM 20102 O4* C A 940 231.660 133.053 -19.519 0.00 0.00 O ATOM 20103 C3* C A 940 233.586 131.702 -19.335 0.00 0.00 C ATOM 20104 O3* C A 940 235.001 131.634 -19.249 0.00 0.00 O ATOM 20105 C2* C A 940 232.898 131.780 -17.964 0.00 0.00 C ATOM 20106 O2* C A 940 233.427 132.779 -17.102 0.00 0.00 O ATOM 20107 C1* C A 940 231.497 132.248 -18.345 0.00 0.00 C ATOM 20108 N1 C A 940 230.600 131.082 -18.598 0.00 0.00 N ATOM 20109 C2 C A 940 229.844 130.529 -17.548 0.00 0.00 C ATOM 20110 O2 C A 940 229.931 130.950 -16.390 0.00 0.00 O ATOM 20111 N3 C A 940 228.981 129.508 -17.805 0.00 0.00 N ATOM 20112 C4 C A 940 228.895 129.025 -19.044 0.00 0.00 C ATOM 20113 N4 C A 940 228.032 128.067 -19.285 0.00 0.00 N ATOM 20114 C5 C A 940 229.656 129.536 -20.130 0.00 0.00 C ATOM 20115 C6 C A 940 230.509 130.547 -19.858 0.00 0.00 C ATOM 20116 P G A 941 235.747 130.218 -19.037 0.00 0.00 P ATOM 20117 O1P G A 941 237.202 130.467 -19.003 0.00 0.00 O ATOM 20118 O2P G A 941 235.195 129.257 -20.024 0.00 0.00 O ATOM 20119 O5* G A 941 235.266 129.761 -17.562 0.00 0.00 O ATOM 20120 C5* G A 941 235.813 130.333 -16.381 0.00 0.00 C ATOM 20121 C4* G A 941 235.079 129.829 -15.129 0.00 0.00 C ATOM 20122 O4* G A 941 233.684 130.134 -15.212 0.00 0.00 O ATOM 20123 C3* G A 941 235.178 128.320 -14.901 0.00 0.00 C ATOM 20124 O3* G A 941 236.391 127.864 -14.320 0.00 0.00 O ATOM 20125 C2* G A 941 233.966 128.126 -13.986 0.00 0.00 C ATOM 20126 O2* G A 941 234.144 128.589 -12.652 0.00 0.00 O ATOM 20127 C1* G A 941 232.949 129.059 -14.632 0.00 0.00 C ATOM 20128 N9 G A 941 232.129 128.293 -15.605 0.00 0.00 N ATOM 20129 C8 G A 941 232.265 128.123 -16.959 0.00 0.00 C ATOM 20130 N7 G A 941 231.397 127.293 -17.482 0.00 0.00 N ATOM 20131 C5 G A 941 230.634 126.851 -16.392 0.00 0.00 C ATOM 20132 C6 G A 941 229.552 125.895 -16.267 0.00 0.00 C ATOM 20133 O6 G A 941 228.963 125.224 -17.118 0.00 0.00 O ATOM 20134 N1 G A 941 229.145 125.710 -14.952 0.00 0.00 N ATOM 20135 C2 G A 941 229.696 126.367 -13.888 0.00 0.00 C ATOM 20136 N2 G A 941 229.288 126.082 -12.677 0.00 0.00 N ATOM 20137 N3 G A 941 230.667 127.267 -13.969 0.00 0.00 N ATOM 20138 C4 G A 941 231.098 127.463 -15.245 0.00 0.00 C ATOM 20139 P G A 942 236.840 126.320 -14.454 0.00 0.00 P ATOM 20140 O1P G A 942 238.094 126.122 -13.697 0.00 0.00 O ATOM 20141 O2P G A 942 236.772 125.948 -15.883 0.00 0.00 O ATOM 20142 O5* G A 942 235.670 125.510 -13.691 0.00 0.00 O ATOM 20143 C5* G A 942 235.554 125.544 -12.281 0.00 0.00 C ATOM 20144 C4* G A 942 234.258 124.865 -11.811 0.00 0.00 C ATOM 20145 O4* G A 942 233.127 125.194 -12.618 0.00 0.00 O ATOM 20146 C3* G A 942 234.310 123.345 -11.834 0.00 0.00 C ATOM 20147 O3* G A 942 235.103 122.796 -10.798 0.00 0.00 O ATOM 20148 C2* G A 942 232.819 123.043 -11.677 0.00 0.00 C ATOM 20149 O2* G A 942 232.346 123.191 -10.349 0.00 0.00 O ATOM 20150 C1* G A 942 232.154 124.165 -12.468 0.00 0.00 C ATOM 20151 N9 G A 942 231.621 123.623 -13.739 0.00 0.00 N ATOM 20152 C8 G A 942 232.035 123.821 -15.030 0.00 0.00 C ATOM 20153 N7 G A 942 231.394 123.095 -15.908 0.00 0.00 N ATOM 20154 C5 G A 942 230.480 122.359 -15.147 0.00 0.00 C ATOM 20155 C6 G A 942 229.521 121.344 -15.503 0.00 0.00 C ATOM 20156 O6 G A 942 229.231 120.863 -16.598 0.00 0.00 O ATOM 20157 N1 G A 942 228.851 120.825 -14.410 0.00 0.00 N ATOM 20158 C2 G A 942 229.029 121.249 -13.131 0.00 0.00 C ATOM 20159 N2 G A 942 228.314 120.649 -12.203 0.00 0.00 N ATOM 20160 N3 G A 942 229.897 122.189 -12.763 0.00 0.00 N ATOM 20161 C4 G A 942 230.602 122.701 -13.818 0.00 0.00 C ATOM 20162 P U A 943 235.508 121.245 -10.786 0.00 0.00 P ATOM 20163 O1P U A 943 236.497 121.051 -9.711 0.00 0.00 O ATOM 20164 O2P U A 943 235.891 120.895 -12.175 0.00 0.00 O ATOM 20165 O5* U A 943 234.156 120.435 -10.430 0.00 0.00 O ATOM 20166 C5* U A 943 233.575 120.423 -9.132 0.00 0.00 C ATOM 20167 C4* U A 943 232.295 119.563 -9.080 0.00 0.00 C ATOM 20168 O4* U A 943 231.287 119.996 -10.006 0.00 0.00 O ATOM 20169 C3* U A 943 232.533 118.079 -9.361 0.00 0.00 C ATOM 20170 O3* U A 943 232.998 117.337 -8.244 0.00 0.00 O ATOM 20171 C2* U A 943 231.115 117.657 -9.758 0.00 0.00 C ATOM 20172 O2* U A 943 230.222 117.615 -8.650 0.00 0.00 O ATOM 20173 C1* U A 943 230.663 118.846 -10.593 0.00 0.00 C ATOM 20174 N1 U A 943 230.990 118.674 -12.041 0.00 0.00 N ATOM 20175 C2 U A 943 230.187 117.816 -12.804 0.00 0.00 C ATOM 20176 O2 U A 943 229.280 117.137 -12.330 0.00 0.00 O ATOM 20177 N3 U A 943 230.435 117.771 -14.162 0.00 0.00 N ATOM 20178 C4 U A 943 231.363 118.521 -14.843 0.00 0.00 C ATOM 20179 O4 U A 943 231.447 118.406 -16.062 0.00 0.00 O ATOM 20180 C5 U A 943 232.154 119.390 -13.995 0.00 0.00 C ATOM 20181 C6 U A 943 231.971 119.424 -12.649 0.00 0.00 C ATOM 20182 P G A 944 233.900 116.025 -8.455 0.00 0.00 P ATOM 20183 O1P G A 944 233.938 115.235 -7.198 0.00 0.00 O ATOM 20184 O2P G A 944 235.147 116.448 -9.115 0.00 0.00 O ATOM 20185 O5* G A 944 233.029 115.178 -9.506 0.00 0.00 O ATOM 20186 C5* G A 944 231.946 114.359 -9.099 0.00 0.00 C ATOM 20187 C4* G A 944 231.417 113.564 -10.289 0.00 0.00 C ATOM 20188 O4* G A 944 230.886 114.414 -11.303 0.00 0.00 O ATOM 20189 C3* G A 944 232.472 112.689 -10.967 0.00 0.00 C ATOM 20190 O3* G A 944 232.739 111.476 -10.284 0.00 0.00 O ATOM 20191 C2* G A 944 231.759 112.470 -12.300 0.00 0.00 C ATOM 20192 O2* G A 944 230.647 111.603 -12.202 0.00 0.00 O ATOM 20193 C1* G A 944 231.180 113.848 -12.575 0.00 0.00 C ATOM 20194 N9 G A 944 232.143 114.694 -13.306 0.00 0.00 N ATOM 20195 C8 G A 944 232.947 115.691 -12.813 0.00 0.00 C ATOM 20196 N7 G A 944 233.603 116.343 -13.727 0.00 0.00 N ATOM 20197 C5 G A 944 233.238 115.712 -14.914 0.00 0.00 C ATOM 20198 C6 G A 944 233.615 115.984 -16.268 0.00 0.00 C ATOM 20199 O6 G A 944 234.299 116.889 -16.734 0.00 0.00 O ATOM 20200 N1 G A 944 233.122 115.052 -17.144 0.00 0.00 N ATOM 20201 C2 G A 944 232.281 114.040 -16.822 0.00 0.00 C ATOM 20202 N2 G A 944 231.871 113.329 -17.848 0.00 0.00 N ATOM 20203 N3 G A 944 231.833 113.796 -15.580 0.00 0.00 N ATOM 20204 C4 G A 944 232.374 114.664 -14.663 0.00 0.00 C ATOM 20205 P G A 945 234.067 111.280 -9.396 0.00 0.00 P ATOM 20206 O1P G A 945 233.720 110.445 -8.234 0.00 0.00 O ATOM 20207 O2P G A 945 234.628 112.611 -9.086 0.00 0.00 O ATOM 20208 O5* G A 945 235.056 110.493 -10.397 0.00 0.00 O ATOM 20209 C5* G A 945 235.425 111.041 -11.650 0.00 0.00 C ATOM 20210 C4* G A 945 236.716 110.422 -12.201 0.00 0.00 C ATOM 20211 O4* G A 945 237.135 111.166 -13.350 0.00 0.00 O ATOM 20212 C3* G A 945 237.851 110.456 -11.170 0.00 0.00 C ATOM 20213 O3* G A 945 238.057 109.200 -10.536 0.00 0.00 O ATOM 20214 C2* G A 945 239.045 110.904 -12.022 0.00 0.00 C ATOM 20215 O2* G A 945 239.674 109.838 -12.729 0.00 0.00 O ATOM 20216 C1* G A 945 238.382 111.798 -13.075 0.00 0.00 C ATOM 20217 N9 G A 945 238.161 113.213 -12.661 0.00 0.00 N ATOM 20218 C8 G A 945 237.032 113.976 -12.836 0.00 0.00 C ATOM 20219 N7 G A 945 237.160 115.221 -12.480 0.00 0.00 N ATOM 20220 C5 G A 945 238.474 115.309 -12.017 0.00 0.00 C ATOM 20221 C6 G A 945 239.227 116.421 -11.496 0.00 0.00 C ATOM 20222 O6 G A 945 238.879 117.588 -11.308 0.00 0.00 O ATOM 20223 N1 G A 945 240.548 116.100 -11.214 0.00 0.00 N ATOM 20224 C2 G A 945 241.088 114.855 -11.419 0.00 0.00 C ATOM 20225 N2 G A 945 242.367 114.628 -11.202 0.00 0.00 N ATOM 20226 N3 G A 945 240.408 113.810 -11.888 0.00 0.00 N ATOM 20227 C4 G A 945 239.102 114.090 -12.162 0.00 0.00 C ATOM 20228 P A A 946 238.592 109.092 -9.020 0.00 0.00 P ATOM 20229 O1P A A 946 238.980 107.687 -8.768 0.00 0.00 O ATOM 20230 O2P A A 946 237.626 109.739 -8.109 0.00 0.00 O ATOM 20231 O5* A A 946 239.919 110.001 -9.048 0.00 0.00 O ATOM 20232 C5* A A 946 241.150 109.513 -9.551 0.00 0.00 C ATOM 20233 C4* A A 946 242.306 110.377 -9.046 0.00 0.00 C ATOM 20234 O4* A A 946 242.283 111.715 -9.532 0.00 0.00 O ATOM 20235 C3* A A 946 242.319 110.442 -7.522 0.00 0.00 C ATOM 20236 O3* A A 946 242.920 109.272 -7.005 0.00 0.00 O ATOM 20237 C2* A A 946 243.154 111.703 -7.321 0.00 0.00 C ATOM 20238 O2* A A 946 244.531 111.415 -7.500 0.00 0.00 O ATOM 20239 C1* A A 946 242.703 112.590 -8.487 0.00 0.00 C ATOM 20240 N9 A A 946 241.589 113.510 -8.146 0.00 0.00 N ATOM 20241 C8 A A 946 240.254 113.382 -8.451 0.00 0.00 C ATOM 20242 N7 A A 946 239.548 114.456 -8.236 0.00 0.00 N ATOM 20243 C5 A A 946 240.478 115.356 -7.713 0.00 0.00 C ATOM 20244 C6 A A 946 240.408 116.700 -7.285 0.00 0.00 C ATOM 20245 N6 A A 946 239.306 117.425 -7.349 0.00 0.00 N ATOM 20246 N1 A A 946 241.494 117.321 -6.799 0.00 0.00 N ATOM 20247 C2 A A 946 242.631 116.633 -6.766 0.00 0.00 C ATOM 20248 N3 A A 946 242.854 115.382 -7.170 0.00 0.00 N ATOM 20249 C4 A A 946 241.718 114.783 -7.631 0.00 0.00 C ATOM 20250 P G A 947 242.551 108.694 -5.561 0.00 0.00 P ATOM 20251 O1P G A 947 243.347 107.466 -5.361 0.00 0.00 O ATOM 20252 O2P G A 947 241.081 108.658 -5.403 0.00 0.00 O ATOM 20253 O5* G A 947 243.113 109.812 -4.563 0.00 0.00 O ATOM 20254 C5* G A 947 244.471 109.838 -4.172 0.00 0.00 C ATOM 20255 C4* G A 947 244.737 111.100 -3.360 0.00 0.00 C ATOM 20256 O4* G A 947 244.538 112.252 -4.174 0.00 0.00 O ATOM 20257 C3* G A 947 243.823 111.259 -2.147 0.00 0.00 C ATOM 20258 O3* G A 947 244.212 110.450 -1.050 0.00 0.00 O ATOM 20259 C2* G A 947 243.977 112.766 -1.931 0.00 0.00 C ATOM 20260 O2* G A 947 245.237 113.135 -1.389 0.00 0.00 O ATOM 20261 C1* G A 947 243.959 113.269 -3.372 0.00 0.00 C ATOM 20262 N9 G A 947 242.577 113.601 -3.798 0.00 0.00 N ATOM 20263 C8 G A 947 241.574 112.811 -4.305 0.00 0.00 C ATOM 20264 N7 G A 947 240.464 113.454 -4.555 0.00 0.00 N ATOM 20265 C5 G A 947 240.727 114.763 -4.140 0.00 0.00 C ATOM 20266 C6 G A 947 239.909 115.949 -4.078 0.00 0.00 C ATOM 20267 O6 G A 947 238.751 116.142 -4.440 0.00 0.00 O ATOM 20268 N1 G A 947 240.552 117.018 -3.484 0.00 0.00 N ATOM 20269 C2 G A 947 241.841 116.987 -3.047 0.00 0.00 C ATOM 20270 N2 G A 947 242.300 118.019 -2.387 0.00 0.00 N ATOM 20271 N3 G A 947 242.638 115.928 -3.125 0.00 0.00 N ATOM 20272 C4 G A 947 242.019 114.844 -3.668 0.00 0.00 C ATOM 20273 P C A 948 243.143 109.980 0.051 0.00 0.00 P ATOM 20274 O1P C A 948 243.828 109.028 0.940 0.00 0.00 O ATOM 20275 O2P C A 948 241.937 109.509 -0.671 0.00 0.00 O ATOM 20276 O5* C A 948 242.767 111.320 0.860 0.00 0.00 O ATOM 20277 C5* C A 948 243.697 112.055 1.639 0.00 0.00 C ATOM 20278 C4* C A 948 243.175 113.476 1.931 0.00 0.00 C ATOM 20279 O4* C A 948 242.957 114.217 0.727 0.00 0.00 O ATOM 20280 C3* C A 948 241.867 113.530 2.719 0.00 0.00 C ATOM 20281 O3* C A 948 242.070 113.401 4.117 0.00 0.00 O ATOM 20282 C2* C A 948 241.335 114.908 2.292 0.00 0.00 C ATOM 20283 O2* C A 948 241.968 116.005 2.936 0.00 0.00 O ATOM 20284 C1* C A 948 241.754 114.982 0.828 0.00 0.00 C ATOM 20285 N1 C A 948 240.651 114.516 -0.069 0.00 0.00 N ATOM 20286 C2 C A 948 239.614 115.412 -0.387 0.00 0.00 C ATOM 20287 O2 C A 948 239.587 116.556 0.075 0.00 0.00 O ATOM 20288 N3 C A 948 238.614 115.029 -1.224 0.00 0.00 N ATOM 20289 C4 C A 948 238.628 113.802 -1.731 0.00 0.00 C ATOM 20290 N4 C A 948 237.722 113.488 -2.624 0.00 0.00 N ATOM 20291 C5 C A 948 239.634 112.849 -1.414 0.00 0.00 C ATOM 20292 C6 C A 948 240.625 113.242 -0.582 0.00 0.00 C ATOM 20293 P A A 949 240.851 113.087 5.117 0.00 0.00 P ATOM 20294 O1P A A 949 241.406 112.873 6.471 0.00 0.00 O ATOM 20295 O2P A A 949 239.966 112.077 4.502 0.00 0.00 O ATOM 20296 O5* A A 949 240.018 114.453 5.118 0.00 0.00 O ATOM 20297 C5* A A 949 240.361 115.584 5.891 0.00 0.00 C ATOM 20298 C4* A A 949 239.192 116.573 5.836 0.00 0.00 C ATOM 20299 O4* A A 949 239.002 117.098 4.517 0.00 0.00 O ATOM 20300 C3* A A 949 237.858 115.934 6.249 0.00 0.00 C ATOM 20301 O3* A A 949 237.716 115.752 7.650 0.00 0.00 O ATOM 20302 C2* A A 949 236.909 116.961 5.629 0.00 0.00 C ATOM 20303 O2* A A 949 236.858 118.155 6.381 0.00 0.00 O ATOM 20304 C1* A A 949 237.600 117.253 4.300 0.00 0.00 C ATOM 20305 N9 A A 949 237.141 116.288 3.278 0.00 0.00 N ATOM 20306 C8 A A 949 237.704 115.087 2.928 0.00 0.00 C ATOM 20307 N7 A A 949 237.101 114.476 1.950 0.00 0.00 N ATOM 20308 C5 A A 949 236.019 115.316 1.668 0.00 0.00 C ATOM 20309 C6 A A 949 234.930 115.255 0.769 0.00 0.00 C ATOM 20310 N6 A A 949 234.772 114.289 -0.117 0.00 0.00 N ATOM 20311 N1 A A 949 233.975 116.198 0.786 0.00 0.00 N ATOM 20312 C2 A A 949 234.101 117.194 1.659 0.00 0.00 C ATOM 20313 N3 A A 949 235.067 117.378 2.553 0.00 0.00 N ATOM 20314 C4 A A 949 236.010 116.399 2.504 0.00 0.00 C ATOM 20315 P U A 950 236.604 114.764 8.269 0.00 0.00 P ATOM 20316 O1P U A 950 236.653 114.827 9.743 0.00 0.00 O ATOM 20317 O2P U A 950 236.669 113.454 7.574 0.00 0.00 O ATOM 20318 O5* U A 950 235.220 115.385 7.795 0.00 0.00 O ATOM 20319 C5* U A 950 234.667 116.586 8.280 0.00 0.00 C ATOM 20320 C4* U A 950 233.412 116.843 7.436 0.00 0.00 C ATOM 20321 O4* U A 950 233.716 116.979 6.049 0.00 0.00 O ATOM 20322 C3* U A 950 232.417 115.693 7.499 0.00 0.00 C ATOM 20323 O3* U A 950 231.711 115.662 8.721 0.00 0.00 O ATOM 20324 C2* U A 950 231.580 115.999 6.259 0.00 0.00 C ATOM 20325 O2* U A 950 230.782 117.164 6.423 0.00 0.00 O ATOM 20326 C1* U A 950 232.712 116.326 5.276 0.00 0.00 C ATOM 20327 N1 U A 950 233.196 115.099 4.551 0.00 0.00 N ATOM 20328 C2 U A 950 232.417 114.660 3.480 0.00 0.00 C ATOM 20329 O2 U A 950 231.394 115.256 3.147 0.00 0.00 O ATOM 20330 N3 U A 950 232.835 113.522 2.798 0.00 0.00 N ATOM 20331 C4 U A 950 233.948 112.766 3.101 0.00 0.00 C ATOM 20332 O4 U A 950 234.203 111.718 2.506 0.00 0.00 O ATOM 20333 C5 U A 950 234.752 113.330 4.161 0.00 0.00 C ATOM 20334 C6 U A 950 234.366 114.432 4.858 0.00 0.00 C ATOM 20335 P G A 951 231.115 114.287 9.282 0.00 0.00 P ATOM 20336 O1P G A 951 230.783 114.483 10.707 0.00 0.00 O ATOM 20337 O2P G A 951 232.005 113.184 8.844 0.00 0.00 O ATOM 20338 O5* G A 951 229.763 114.164 8.447 0.00 0.00 O ATOM 20339 C5* G A 951 228.628 114.936 8.767 0.00 0.00 C ATOM 20340 C4* G A 951 227.524 114.589 7.781 0.00 0.00 C ATOM 20341 O4* G A 951 227.937 114.962 6.463 0.00 0.00 O ATOM 20342 C3* G A 951 227.162 113.096 7.713 0.00 0.00 C ATOM 20343 O3* G A 951 226.261 112.598 8.695 0.00 0.00 O ATOM 20344 C2* G A 951 226.488 113.125 6.351 0.00 0.00 C ATOM 20345 O2* G A 951 225.224 113.727 6.504 0.00 0.00 O ATOM 20346 C1* G A 951 227.383 114.045 5.531 0.00 0.00 C ATOM 20347 N9 G A 951 228.441 113.241 4.873 0.00 0.00 N ATOM 20348 C8 G A 951 229.691 112.928 5.343 0.00 0.00 C ATOM 20349 N7 G A 951 230.399 112.185 4.540 0.00 0.00 N ATOM 20350 C5 G A 951 229.543 111.952 3.461 0.00 0.00 C ATOM 20351 C6 G A 951 229.719 111.157 2.274 0.00 0.00 C ATOM 20352 O6 G A 951 230.687 110.497 1.896 0.00 0.00 O ATOM 20353 N1 G A 951 228.594 111.132 1.477 0.00 0.00 N ATOM 20354 C2 G A 951 227.422 111.761 1.783 0.00 0.00 C ATOM 20355 N2 G A 951 226.433 111.500 0.968 0.00 0.00 N ATOM 20356 N3 G A 951 227.205 112.492 2.883 0.00 0.00 N ATOM 20357 C4 G A 951 228.322 112.566 3.677 0.00 0.00 C ATOM 20358 P U A 952 226.001 111.008 8.819 0.00 0.00 P ATOM 20359 O1P U A 952 225.022 110.783 9.898 0.00 0.00 O ATOM 20360 O2P U A 952 227.321 110.345 8.851 0.00 0.00 O ATOM 20361 O5* U A 952 225.315 110.563 7.432 0.00 0.00 O ATOM 20362 C5* U A 952 223.962 110.843 7.106 0.00 0.00 C ATOM 20363 C4* U A 952 223.669 110.294 5.703 0.00 0.00 C ATOM 20364 O4* U A 952 224.626 110.749 4.742 0.00 0.00 O ATOM 20365 C3* U A 952 223.738 108.775 5.662 0.00 0.00 C ATOM 20366 O3* U A 952 222.598 108.130 6.216 0.00 0.00 O ATOM 20367 C2* U A 952 223.966 108.548 4.162 0.00 0.00 C ATOM 20368 O2* U A 952 222.820 108.673 3.334 0.00 0.00 O ATOM 20369 C1* U A 952 224.902 109.704 3.812 0.00 0.00 C ATOM 20370 N1 U A 952 226.323 109.240 3.808 0.00 0.00 N ATOM 20371 C2 U A 952 226.737 108.469 2.715 0.00 0.00 C ATOM 20372 O2 U A 952 225.980 108.118 1.809 0.00 0.00 O ATOM 20373 N3 U A 952 228.060 108.077 2.698 0.00 0.00 N ATOM 20374 C4 U A 952 229.000 108.321 3.670 0.00 0.00 C ATOM 20375 O4 U A 952 230.126 107.838 3.565 0.00 0.00 O ATOM 20376 C5 U A 952 228.503 109.119 4.773 0.00 0.00 C ATOM 20377 C6 U A 952 227.210 109.538 4.823 0.00 0.00 C ATOM 20378 P G A 953 222.653 106.560 6.533 0.00 0.00 P ATOM 20379 O1P G A 953 221.415 106.082 7.184 0.00 0.00 O ATOM 20380 O2P G A 953 223.938 106.185 7.138 0.00 0.00 O ATOM 20381 O5* G A 953 222.680 105.872 5.111 0.00 0.00 O ATOM 20382 C5* G A 953 221.560 105.838 4.262 0.00 0.00 C ATOM 20383 C4* G A 953 222.002 105.057 3.027 0.00 0.00 C ATOM 20384 O4* G A 953 223.151 105.659 2.427 0.00 0.00 O ATOM 20385 C3* G A 953 222.371 103.625 3.410 0.00 0.00 C ATOM 20386 O3* G A 953 221.223 102.792 3.541 0.00 0.00 O ATOM 20387 C2* G A 953 223.323 103.292 2.267 0.00 0.00 C ATOM 20388 O2* G A 953 222.673 103.039 1.029 0.00 0.00 O ATOM 20389 C1* G A 953 224.067 104.617 2.092 0.00 0.00 C ATOM 20390 N9 G A 953 225.345 104.645 2.862 0.00 0.00 N ATOM 20391 C8 G A 953 225.711 105.274 4.032 0.00 0.00 C ATOM 20392 N7 G A 953 226.981 105.162 4.339 0.00 0.00 N ATOM 20393 C5 G A 953 227.482 104.306 3.347 0.00 0.00 C ATOM 20394 C6 G A 953 228.769 103.678 3.159 0.00 0.00 C ATOM 20395 O6 G A 953 229.810 103.771 3.802 0.00 0.00 O ATOM 20396 N1 G A 953 228.805 102.786 2.106 0.00 0.00 N ATOM 20397 C2 G A 953 227.717 102.501 1.349 0.00 0.00 C ATOM 20398 N2 G A 953 227.739 101.389 0.670 0.00 0.00 N ATOM 20399 N3 G A 953 226.530 103.076 1.448 0.00 0.00 N ATOM 20400 C4 G A 953 226.471 103.971 2.471 0.00 0.00 C ATOM 20401 P G A 954 221.149 101.676 4.700 0.00 0.00 P ATOM 20402 O1P G A 954 219.849 100.973 4.573 0.00 0.00 O ATOM 20403 O2P G A 954 221.494 102.358 5.974 0.00 0.00 O ATOM 20404 O5* G A 954 222.350 100.671 4.309 0.00 0.00 O ATOM 20405 C5* G A 954 222.274 99.836 3.162 0.00 0.00 C ATOM 20406 C4* G A 954 223.637 99.235 2.790 0.00 0.00 C ATOM 20407 O4* G A 954 224.568 100.269 2.500 0.00 0.00 O ATOM 20408 C3* G A 954 224.262 98.335 3.856 0.00 0.00 C ATOM 20409 O3* G A 954 223.715 97.018 3.812 0.00 0.00 O ATOM 20410 C2* G A 954 225.741 98.450 3.450 0.00 0.00 C ATOM 20411 O2* G A 954 226.105 97.692 2.305 0.00 0.00 O ATOM 20412 C1* G A 954 225.833 99.907 3.018 0.00 0.00 C ATOM 20413 N9 G A 954 226.270 100.785 4.131 0.00 0.00 N ATOM 20414 C8 G A 954 225.577 101.636 4.954 0.00 0.00 C ATOM 20415 N7 G A 954 226.324 102.238 5.845 0.00 0.00 N ATOM 20416 C5 G A 954 227.613 101.748 5.606 0.00 0.00 C ATOM 20417 C6 G A 954 228.895 102.004 6.226 0.00 0.00 C ATOM 20418 O6 G A 954 229.206 102.809 7.107 0.00 0.00 O ATOM 20419 N1 G A 954 229.904 101.202 5.708 0.00 0.00 N ATOM 20420 C2 G A 954 229.738 100.395 4.616 0.00 0.00 C ATOM 20421 N2 G A 954 230.779 99.821 4.084 0.00 0.00 N ATOM 20422 N3 G A 954 228.603 100.215 3.960 0.00 0.00 N ATOM 20423 C4 G A 954 227.569 100.877 4.540 0.00 0.00 C ATOM 20424 P U A 955 223.688 96.044 5.093 0.00 0.00 P ATOM 20425 O1P U A 955 222.936 94.819 4.764 0.00 0.00 O ATOM 20426 O2P U A 955 223.255 96.851 6.260 0.00 0.00 O ATOM 20427 O5* U A 955 225.223 95.653 5.339 0.00 0.00 O ATOM 20428 C5* U A 955 226.004 94.930 4.404 0.00 0.00 C ATOM 20429 C4* U A 955 227.491 95.078 4.766 0.00 0.00 C ATOM 20430 O4* U A 955 227.915 96.438 4.661 0.00 0.00 O ATOM 20431 C3* U A 955 227.811 94.639 6.194 0.00 0.00 C ATOM 20432 O3* U A 955 227.962 93.237 6.328 0.00 0.00 O ATOM 20433 C2* U A 955 229.093 95.426 6.447 0.00 0.00 C ATOM 20434 O2* U A 955 230.228 94.885 5.784 0.00 0.00 O ATOM 20435 C1* U A 955 228.758 96.752 5.769 0.00 0.00 C ATOM 20436 N1 U A 955 228.173 97.735 6.729 0.00 0.00 N ATOM 20437 C2 U A 955 229.083 98.408 7.544 0.00 0.00 C ATOM 20438 O2 U A 955 230.283 98.150 7.575 0.00 0.00 O ATOM 20439 N3 U A 955 228.583 99.419 8.328 0.00 0.00 N ATOM 20440 C4 U A 955 227.285 99.851 8.388 0.00 0.00 C ATOM 20441 O4 U A 955 227.008 100.804 9.106 0.00 0.00 O ATOM 20442 C5 U A 955 226.382 99.087 7.549 0.00 0.00 C ATOM 20443 C6 U A 955 226.831 98.063 6.773 0.00 0.00 C ATOM 20444 P U A 956 227.807 92.532 7.751 0.00 0.00 P ATOM 20445 O1P U A 956 227.914 91.078 7.536 0.00 0.00 O ATOM 20446 O2P U A 956 226.514 93.004 8.299 0.00 0.00 O ATOM 20447 O5* U A 956 229.001 93.095 8.669 0.00 0.00 O ATOM 20448 C5* U A 956 230.368 92.790 8.446 0.00 0.00 C ATOM 20449 C4* U A 956 231.267 93.697 9.306 0.00 0.00 C ATOM 20450 O4* U A 956 231.072 95.085 9.023 0.00 0.00 O ATOM 20451 C3* U A 956 231.028 93.547 10.802 0.00 0.00 C ATOM 20452 O3* U A 956 231.629 92.386 11.343 0.00 0.00 O ATOM 20453 C2* U A 956 231.634 94.858 11.311 0.00 0.00 C ATOM 20454 O2* U A 956 233.057 94.888 11.297 0.00 0.00 O ATOM 20455 C1* U A 956 231.165 95.837 10.236 0.00 0.00 C ATOM 20456 N1 U A 956 229.881 96.498 10.623 0.00 0.00 N ATOM 20457 C2 U A 956 229.950 97.598 11.489 0.00 0.00 C ATOM 20458 O2 U A 956 230.995 97.991 12.001 0.00 0.00 O ATOM 20459 N3 U A 956 228.766 98.251 11.776 0.00 0.00 N ATOM 20460 C4 U A 956 227.523 97.913 11.289 0.00 0.00 C ATOM 20461 O4 U A 956 226.538 98.572 11.591 0.00 0.00 O ATOM 20462 C5 U A 956 227.515 96.734 10.449 0.00 0.00 C ATOM 20463 C6 U A 956 228.660 96.066 10.151 0.00 0.00 C ATOM 20464 P U A 957 231.059 91.721 12.690 0.00 0.00 P ATOM 20465 O1P U A 957 231.837 90.506 12.993 0.00 0.00 O ATOM 20466 O2P U A 957 229.584 91.661 12.569 0.00 0.00 O ATOM 20467 O5* U A 957 231.372 92.825 13.802 0.00 0.00 O ATOM 20468 C5* U A 957 232.665 93.173 14.249 0.00 0.00 C ATOM 20469 C4* U A 957 232.495 94.345 15.229 0.00 0.00 C ATOM 20470 O4* U A 957 231.785 95.435 14.640 0.00 0.00 O ATOM 20471 C3* U A 957 231.730 93.921 16.494 0.00 0.00 C ATOM 20472 O3* U A 957 232.528 93.236 17.470 0.00 0.00 O ATOM 20473 C2* U A 957 231.281 95.312 16.941 0.00 0.00 C ATOM 20474 O2* U A 957 232.363 95.983 17.573 0.00 0.00 O ATOM 20475 C1* U A 957 230.972 96.058 15.629 0.00 0.00 C ATOM 20476 N1 U A 957 229.530 96.035 15.214 0.00 0.00 N ATOM 20477 C2 U A 957 228.690 97.099 15.584 0.00 0.00 C ATOM 20478 O2 U A 957 229.085 98.088 16.193 0.00 0.00 O ATOM 20479 N3 U A 957 227.352 97.019 15.216 0.00 0.00 N ATOM 20480 C4 U A 957 226.795 95.974 14.506 0.00 0.00 C ATOM 20481 O4 U A 957 225.575 95.870 14.364 0.00 0.00 O ATOM 20482 C5 U A 957 227.745 95.000 14.014 0.00 0.00 C ATOM 20483 C6 U A 957 229.044 95.038 14.394 0.00 0.00 C ATOM 20484 P A A 958 231.878 92.240 18.569 0.00 0.00 P ATOM 20485 O1P A A 958 232.842 92.012 19.679 0.00 0.00 O ATOM 20486 O2P A A 958 231.271 91.090 17.873 0.00 0.00 O ATOM 20487 O5* A A 958 230.700 93.078 19.230 0.00 0.00 O ATOM 20488 C5* A A 958 229.696 92.424 19.982 0.00 0.00 C ATOM 20489 C4* A A 958 229.093 93.396 20.988 0.00 0.00 C ATOM 20490 O4* A A 958 230.036 93.746 21.994 0.00 0.00 O ATOM 20491 C3* A A 958 228.593 94.659 20.293 0.00 0.00 C ATOM 20492 O3* A A 958 227.256 94.420 19.853 0.00 0.00 O ATOM 20493 C2* A A 958 228.737 95.654 21.444 0.00 0.00 C ATOM 20494 O2* A A 958 227.559 95.600 22.231 0.00 0.00 O ATOM 20495 C1* A A 958 229.914 95.125 22.291 0.00 0.00 C ATOM 20496 N9 A A 958 231.250 95.750 22.067 0.00 0.00 N ATOM 20497 C8 A A 958 232.255 95.304 21.237 0.00 0.00 C ATOM 20498 N7 A A 958 233.424 95.835 21.467 0.00 0.00 N ATOM 20499 C5 A A 958 233.169 96.758 22.483 0.00 0.00 C ATOM 20500 C6 A A 958 233.976 97.686 23.186 0.00 0.00 C ATOM 20501 N6 A A 958 235.263 97.883 22.934 0.00 0.00 N ATOM 20502 N1 A A 958 233.447 98.430 24.166 0.00 0.00 N ATOM 20503 C2 A A 958 232.151 98.283 24.428 0.00 0.00 C ATOM 20504 N3 A A 958 231.267 97.464 23.845 0.00 0.00 N ATOM 20505 C4 A A 958 231.848 96.719 22.857 0.00 0.00 C ATOM 20506 P A A 959 226.661 95.056 18.515 0.00 0.00 P ATOM 20507 O1P A A 959 225.237 94.659 18.368 0.00 0.00 O ATOM 20508 O2P A A 959 227.588 94.807 17.398 0.00 0.00 O ATOM 20509 O5* A A 959 226.631 96.628 18.796 0.00 0.00 O ATOM 20510 C5* A A 959 225.688 97.187 19.693 0.00 0.00 C ATOM 20511 C4* A A 959 226.094 98.606 20.069 0.00 0.00 C ATOM 20512 O4* A A 959 227.302 98.537 20.813 0.00 0.00 O ATOM 20513 C3* A A 959 226.323 99.552 18.888 0.00 0.00 C ATOM 20514 O3* A A 959 225.121 100.183 18.400 0.00 0.00 O ATOM 20515 C2* A A 959 227.255 100.547 19.597 0.00 0.00 C ATOM 20516 O2* A A 959 226.485 101.457 20.385 0.00 0.00 O ATOM 20517 C1* A A 959 228.095 99.678 20.554 0.00 0.00 C ATOM 20518 N9 A A 959 229.437 99.233 20.064 0.00 0.00 N ATOM 20519 C8 A A 959 229.745 98.295 19.102 0.00 0.00 C ATOM 20520 N7 A A 959 231.026 98.064 18.942 0.00 0.00 N ATOM 20521 C5 A A 959 231.617 98.917 19.881 0.00 0.00 C ATOM 20522 C6 A A 959 232.956 99.191 20.262 0.00 0.00 C ATOM 20523 N6 A A 959 234.029 98.626 19.731 0.00 0.00 N ATOM 20524 N1 A A 959 233.223 100.023 21.272 0.00 0.00 N ATOM 20525 C2 A A 959 232.190 100.574 21.899 0.00 0.00 C ATOM 20526 N3 A A 959 230.885 100.443 21.650 0.00 0.00 N ATOM 20527 C4 A A 959 230.659 99.592 20.602 0.00 0.00 C ATOM 20528 P U A 960 224.295 99.678 17.104 0.00 0.00 P ATOM 20529 O1P U A 960 222.894 100.200 17.202 0.00 0.00 O ATOM 20530 O2P U A 960 224.504 98.221 16.955 0.00 0.00 O ATOM 20531 O5* U A 960 224.972 100.392 15.832 0.00 0.00 O ATOM 20532 C5* U A 960 226.376 100.440 15.633 0.00 0.00 C ATOM 20533 C4* U A 960 226.920 101.760 16.188 0.00 0.00 C ATOM 20534 O4* U A 960 228.269 101.549 16.553 0.00 0.00 O ATOM 20535 C3* U A 960 226.856 102.891 15.156 0.00 0.00 C ATOM 20536 O3* U A 960 226.194 104.064 15.629 0.00 0.00 O ATOM 20537 C2* U A 960 228.309 103.024 14.665 0.00 0.00 C ATOM 20538 O2* U A 960 228.694 104.365 14.373 0.00 0.00 O ATOM 20539 C1* U A 960 229.135 102.368 15.792 0.00 0.00 C ATOM 20540 N1 U A 960 230.304 101.515 15.395 0.00 0.00 N ATOM 20541 C2 U A 960 230.149 100.466 14.465 0.00 0.00 C ATOM 20542 O2 U A 960 229.119 100.222 13.834 0.00 0.00 O ATOM 20543 N3 U A 960 231.258 99.676 14.222 0.00 0.00 N ATOM 20544 C4 U A 960 232.490 99.789 14.820 0.00 0.00 C ATOM 20545 O4 U A 960 233.408 99.045 14.493 0.00 0.00 O ATOM 20546 C5 U A 960 232.574 100.857 15.789 0.00 0.00 C ATOM 20547 C6 U A 960 231.520 101.681 16.032 0.00 0.00 C ATOM 20548 P U A 961 226.655 105.001 16.852 0.00 0.00 P ATOM 20549 O1P U A 961 226.870 106.344 16.281 0.00 0.00 O ATOM 20550 O2P U A 961 227.707 104.353 17.668 0.00 0.00 O ATOM 20551 O5* U A 961 225.331 105.127 17.718 0.00 0.00 O ATOM 20552 C5* U A 961 224.803 104.063 18.470 0.00 0.00 C ATOM 20553 C4* U A 961 223.567 104.606 19.186 0.00 0.00 C ATOM 20554 O4* U A 961 223.876 105.779 19.933 0.00 0.00 O ATOM 20555 C3* U A 961 222.450 105.003 18.222 0.00 0.00 C ATOM 20556 O3* U A 961 221.720 103.875 17.775 0.00 0.00 O ATOM 20557 C2* U A 961 221.642 105.912 19.147 0.00 0.00 C ATOM 20558 O2* U A 961 220.845 105.182 20.077 0.00 0.00 O ATOM 20559 C1* U A 961 222.747 106.648 19.916 0.00 0.00 C ATOM 20560 N1 U A 961 223.039 107.969 19.281 0.00 0.00 N ATOM 20561 C2 U A 961 222.089 108.989 19.440 0.00 0.00 C ATOM 20562 O2 U A 961 221.061 108.842 20.100 0.00 0.00 O ATOM 20563 N3 U A 961 222.359 110.203 18.831 0.00 0.00 N ATOM 20564 C4 U A 961 223.482 110.491 18.081 0.00 0.00 C ATOM 20565 O4 U A 961 223.593 111.597 17.565 0.00 0.00 O ATOM 20566 C5 U A 961 224.437 109.401 17.988 0.00 0.00 C ATOM 20567 C6 U A 961 224.201 108.199 18.574 0.00 0.00 C ATOM 20568 P C A 962 220.890 103.860 16.406 0.00 0.00 P ATOM 20569 O1P C A 962 220.153 102.573 16.506 0.00 0.00 O ATOM 20570 O2P C A 962 221.848 104.003 15.300 0.00 0.00 O ATOM 20571 O5* C A 962 219.907 105.153 16.429 0.00 0.00 O ATOM 20572 C5* C A 962 218.798 105.284 17.307 0.00 0.00 C ATOM 20573 C4* C A 962 218.192 106.705 17.293 0.00 0.00 C ATOM 20574 O4* C A 962 219.090 107.739 17.692 0.00 0.00 O ATOM 20575 C3* C A 962 217.665 107.140 15.933 0.00 0.00 C ATOM 20576 O3* C A 962 216.480 106.430 15.585 0.00 0.00 O ATOM 20577 C2* C A 962 217.479 108.638 16.220 0.00 0.00 C ATOM 20578 O2* C A 962 216.313 108.889 16.996 0.00 0.00 O ATOM 20579 C1* C A 962 218.692 108.979 17.094 0.00 0.00 C ATOM 20580 N1 C A 962 219.797 109.603 16.298 0.00 0.00 N ATOM 20581 C2 C A 962 219.737 110.966 15.932 0.00 0.00 C ATOM 20582 O2 C A 962 218.790 111.697 16.237 0.00 0.00 O ATOM 20583 N3 C A 962 220.743 111.514 15.197 0.00 0.00 N ATOM 20584 C4 C A 962 221.766 110.748 14.817 0.00 0.00 C ATOM 20585 N4 C A 962 222.683 111.268 14.037 0.00 0.00 N ATOM 20586 C5 C A 962 221.880 109.377 15.181 0.00 0.00 C ATOM 20587 C6 C A 962 220.877 108.843 15.913 0.00 0.00 C ATOM 20588 P G A 963 216.006 106.270 14.064 0.00 0.00 P ATOM 20589 O1P G A 963 214.710 105.547 14.044 0.00 0.00 O ATOM 20590 O2P G A 963 217.132 105.724 13.276 0.00 0.00 O ATOM 20591 O5* G A 963 215.703 107.762 13.571 0.00 0.00 O ATOM 20592 C5* G A 963 214.542 108.430 14.036 0.00 0.00 C ATOM 20593 C4* G A 963 214.601 109.942 13.831 0.00 0.00 C ATOM 20594 O4* G A 963 215.779 110.478 14.397 0.00 0.00 O ATOM 20595 C3* G A 963 214.596 110.362 12.371 0.00 0.00 C ATOM 20596 O3* G A 963 213.297 110.276 11.805 0.00 0.00 O ATOM 20597 C2* G A 963 215.188 111.771 12.489 0.00 0.00 C ATOM 20598 O2* G A 963 214.321 112.788 12.963 0.00 0.00 O ATOM 20599 C1* G A 963 216.237 111.537 13.582 0.00 0.00 C ATOM 20600 N9 G A 963 217.551 111.262 12.959 0.00 0.00 N ATOM 20601 C8 G A 963 218.299 110.115 12.840 0.00 0.00 C ATOM 20602 N7 G A 963 219.394 110.268 12.143 0.00 0.00 N ATOM 20603 C5 G A 963 219.352 111.605 11.727 0.00 0.00 C ATOM 20604 C6 G A 963 220.194 112.390 10.859 0.00 0.00 C ATOM 20605 O6 G A 963 221.235 112.098 10.272 0.00 0.00 O ATOM 20606 N1 G A 963 219.698 113.667 10.643 0.00 0.00 N ATOM 20607 C2 G A 963 218.566 114.161 11.228 0.00 0.00 C ATOM 20608 N2 G A 963 218.158 115.373 10.943 0.00 0.00 N ATOM 20609 N3 G A 963 217.786 113.483 12.054 0.00 0.00 N ATOM 20610 C4 G A 963 218.228 112.208 12.247 0.00 0.00 C ATOM 20611 P A A 964 213.099 109.834 10.275 0.00 0.00 P ATOM 20612 O1P A A 964 211.645 109.635 10.112 0.00 0.00 O ATOM 20613 O2P A A 964 213.995 108.685 10.025 0.00 0.00 O ATOM 20614 O5* A A 964 213.624 111.097 9.439 0.00 0.00 O ATOM 20615 C5* A A 964 213.050 112.389 9.556 0.00 0.00 C ATOM 20616 C4* A A 964 213.886 113.426 8.792 0.00 0.00 C ATOM 20617 O4* A A 964 215.209 113.563 9.327 0.00 0.00 O ATOM 20618 C3* A A 964 214.005 113.107 7.300 0.00 0.00 C ATOM 20619 O3* A A 964 212.873 113.573 6.567 0.00 0.00 O ATOM 20620 C2* A A 964 215.322 113.829 6.983 0.00 0.00 C ATOM 20621 O2* A A 964 215.179 115.239 6.886 0.00 0.00 O ATOM 20622 C1* A A 964 216.149 113.586 8.250 0.00 0.00 C ATOM 20623 N9 A A 964 216.930 112.321 8.229 0.00 0.00 N ATOM 20624 C8 A A 964 216.742 111.210 9.017 0.00 0.00 C ATOM 20625 N7 A A 964 217.653 110.291 8.888 0.00 0.00 N ATOM 20626 C5 A A 964 218.521 110.834 7.939 0.00 0.00 C ATOM 20627 C6 A A 964 219.715 110.374 7.343 0.00 0.00 C ATOM 20628 N6 A A 964 220.256 109.196 7.609 0.00 0.00 N ATOM 20629 N1 A A 964 220.342 111.119 6.427 0.00 0.00 N ATOM 20630 C2 A A 964 219.809 112.293 6.108 0.00 0.00 C ATOM 20631 N3 A A 964 218.688 112.858 6.571 0.00 0.00 N ATOM 20632 C4 A A 964 218.084 112.064 7.511 0.00 0.00 C ATOM 20633 P U A 965 212.005 112.604 5.611 0.00 0.00 P ATOM 20634 O1P U A 965 210.816 113.334 5.109 0.00 0.00 O ATOM 20635 O2P U A 965 211.811 111.280 6.249 0.00 0.00 O ATOM 20636 O5* U A 965 212.968 112.337 4.368 0.00 0.00 O ATOM 20637 C5* U A 965 212.987 113.126 3.187 0.00 0.00 C ATOM 20638 C4* U A 965 213.574 112.253 2.062 0.00 0.00 C ATOM 20639 O4* U A 965 214.888 111.887 2.458 0.00 0.00 O ATOM 20640 C3* U A 965 212.791 110.937 1.881 0.00 0.00 C ATOM 20641 O3* U A 965 211.596 110.950 1.083 0.00 0.00 O ATOM 20642 C2* U A 965 213.859 109.842 1.707 0.00 0.00 C ATOM 20643 O2* U A 965 214.054 109.320 0.408 0.00 0.00 O ATOM 20644 C1* U A 965 215.160 110.532 2.148 0.00 0.00 C ATOM 20645 N1 U A 965 215.799 109.856 3.317 0.00 0.00 N ATOM 20646 C2 U A 965 216.942 109.075 3.096 0.00 0.00 C ATOM 20647 O2 U A 965 217.370 108.812 1.973 0.00 0.00 O ATOM 20648 N3 U A 965 217.559 108.526 4.210 0.00 0.00 N ATOM 20649 C4 U A 965 217.014 108.499 5.477 0.00 0.00 C ATOM 20650 O4 U A 965 217.515 107.780 6.329 0.00 0.00 O ATOM 20651 C5 U A 965 215.818 109.300 5.635 0.00 0.00 C ATOM 20652 C6 U A 965 215.258 109.950 4.582 0.00 0.00 C ATOM 20653 P G A 966 211.462 111.177 -0.523 0.00 0.00 P ATOM 20654 O1P G A 966 210.139 111.801 -0.737 0.00 0.00 O ATOM 20655 O2P G A 966 211.667 109.859 -1.167 0.00 0.00 O ATOM 20656 O5* G A 966 212.583 112.202 -1.039 0.00 0.00 O ATOM 20657 C5* G A 966 213.817 111.777 -1.606 0.00 0.00 C ATOM 20658 C4* G A 966 214.100 112.533 -2.905 0.00 0.00 C ATOM 20659 O4* G A 966 213.292 112.082 -3.993 0.00 0.00 O ATOM 20660 C3* G A 966 213.890 114.046 -2.819 0.00 0.00 C ATOM 20661 O3* G A 966 214.931 114.676 -2.099 0.00 0.00 O ATOM 20662 C2* G A 966 213.913 114.342 -4.320 0.00 0.00 C ATOM 20663 O2* G A 966 215.250 114.250 -4.795 0.00 0.00 O ATOM 20664 C1* G A 966 213.111 113.170 -4.900 0.00 0.00 C ATOM 20665 N9 G A 966 211.656 113.456 -5.062 0.00 0.00 N ATOM 20666 C8 G A 966 210.601 112.949 -4.342 0.00 0.00 C ATOM 20667 N7 G A 966 209.419 113.261 -4.809 0.00 0.00 N ATOM 20668 C5 G A 966 209.703 114.095 -5.896 0.00 0.00 C ATOM 20669 C6 G A 966 208.831 114.794 -6.809 0.00 0.00 C ATOM 20670 O6 G A 966 207.595 114.766 -6.874 0.00 0.00 O ATOM 20671 N1 G A 966 209.512 115.588 -7.728 0.00 0.00 N ATOM 20672 C2 G A 966 210.882 115.624 -7.807 0.00 0.00 C ATOM 20673 N2 G A 966 211.449 116.421 -8.688 0.00 0.00 N ATOM 20674 N3 G A 966 211.710 114.924 -7.031 0.00 0.00 N ATOM 20675 C4 G A 966 211.069 114.207 -6.062 0.00 0.00 C ATOM 20676 P C A 967 214.854 116.198 -1.610 0.00 0.00 P ATOM 20677 O1P C A 967 216.202 116.532 -1.121 0.00 0.00 O ATOM 20678 O2P C A 967 213.660 116.374 -0.742 0.00 0.00 O ATOM 20679 O5* C A 967 214.604 117.105 -2.890 0.00 0.00 O ATOM 20680 C5* C A 967 215.613 117.470 -3.799 0.00 0.00 C ATOM 20681 C4* C A 967 214.970 118.354 -4.869 0.00 0.00 C ATOM 20682 O4* C A 967 213.914 117.663 -5.537 0.00 0.00 O ATOM 20683 C3* C A 967 214.372 119.646 -4.340 0.00 0.00 C ATOM 20684 O3* C A 967 215.400 120.617 -4.230 0.00 0.00 O ATOM 20685 C2* C A 967 213.279 119.951 -5.372 0.00 0.00 C ATOM 20686 O2* C A 967 213.755 120.600 -6.539 0.00 0.00 O ATOM 20687 C1* C A 967 212.834 118.551 -5.800 0.00 0.00 C ATOM 20688 N1 C A 967 211.577 118.081 -5.141 0.00 0.00 N ATOM 20689 C2 C A 967 210.355 118.345 -5.777 0.00 0.00 C ATOM 20690 O2 C A 967 210.312 119.008 -6.812 0.00 0.00 O ATOM 20691 N3 C A 967 209.200 117.816 -5.286 0.00 0.00 N ATOM 20692 C4 C A 967 209.249 117.052 -4.208 0.00 0.00 C ATOM 20693 N4 C A 967 208.099 116.590 -3.772 0.00 0.00 N ATOM 20694 C5 C A 967 210.462 116.727 -3.541 0.00 0.00 C ATOM 20695 C6 C A 967 211.600 117.271 -4.029 0.00 0.00 C ATOM 20696 P A A 968 215.215 121.894 -3.293 0.00 0.00 P ATOM 20697 O1P A A 968 214.083 122.682 -3.813 0.00 0.00 O ATOM 20698 O2P A A 968 216.552 122.526 -3.215 0.00 0.00 O ATOM 20699 O5* A A 968 214.771 121.167 -1.908 0.00 0.00 O ATOM 20700 C5* A A 968 214.726 121.819 -0.647 0.00 0.00 C ATOM 20701 C4* A A 968 213.614 121.264 0.275 0.00 0.00 C ATOM 20702 O4* A A 968 212.349 121.671 -0.246 0.00 0.00 O ATOM 20703 C3* A A 968 213.582 119.732 0.444 0.00 0.00 C ATOM 20704 O3* A A 968 213.267 119.338 1.776 0.00 0.00 O ATOM 20705 C2* A A 968 212.445 119.354 -0.513 0.00 0.00 C ATOM 20706 O2* A A 968 211.681 118.224 -0.160 0.00 0.00 O ATOM 20707 C1* A A 968 211.518 120.541 -0.444 0.00 0.00 C ATOM 20708 N9 A A 968 210.721 120.638 -1.688 0.00 0.00 N ATOM 20709 C8 A A 968 211.082 121.225 -2.871 0.00 0.00 C ATOM 20710 N7 A A 968 210.172 121.155 -3.808 0.00 0.00 N ATOM 20711 C5 A A 968 209.110 120.494 -3.181 0.00 0.00 C ATOM 20712 C6 A A 968 207.797 120.112 -3.568 0.00 0.00 C ATOM 20713 N6 A A 968 207.226 120.321 -4.746 0.00 0.00 N ATOM 20714 N1 A A 968 206.998 119.443 -2.733 0.00 0.00 N ATOM 20715 C2 A A 968 207.466 119.191 -1.514 0.00 0.00 C ATOM 20716 N3 A A 968 208.648 119.512 -0.995 0.00 0.00 N ATOM 20717 C4 A A 968 209.443 120.162 -1.892 0.00 0.00 C ATOM 20718 P A A 969 214.401 119.264 2.921 0.00 0.00 P ATOM 20719 O1P A A 969 213.869 118.491 4.065 0.00 0.00 O ATOM 20720 O2P A A 969 214.920 120.632 3.137 0.00 0.00 O ATOM 20721 O5* A A 969 215.557 118.387 2.218 0.00 0.00 O ATOM 20722 C5* A A 969 215.448 116.983 2.030 0.00 0.00 C ATOM 20723 C4* A A 969 216.251 116.206 3.072 0.00 0.00 C ATOM 20724 O4* A A 969 215.967 114.806 2.980 0.00 0.00 O ATOM 20725 C3* A A 969 217.766 116.330 2.885 0.00 0.00 C ATOM 20726 O3* A A 969 218.338 117.494 3.458 0.00 0.00 O ATOM 20727 C2* A A 969 218.198 115.059 3.620 0.00 0.00 C ATOM 20728 O2* A A 969 218.026 115.225 5.029 0.00 0.00 O ATOM 20729 C1* A A 969 217.166 114.047 3.116 0.00 0.00 C ATOM 20730 N9 A A 969 217.525 113.407 1.815 0.00 0.00 N ATOM 20731 C8 A A 969 216.966 113.625 0.574 0.00 0.00 C ATOM 20732 N7 A A 969 217.412 112.836 -0.368 0.00 0.00 N ATOM 20733 C5 A A 969 218.354 112.048 0.286 0.00 0.00 C ATOM 20734 C6 A A 969 219.241 111.030 -0.139 0.00 0.00 C ATOM 20735 N6 A A 969 219.361 110.629 -1.399 0.00 0.00 N ATOM 20736 N1 A A 969 220.066 110.429 0.726 0.00 0.00 N ATOM 20737 C2 A A 969 220.005 110.830 1.997 0.00 0.00 C ATOM 20738 N3 A A 969 219.227 111.770 2.537 0.00 0.00 N ATOM 20739 C4 A A 969 218.420 112.370 1.617 0.00 0.00 C ATOM 20740 P C A 970 219.677 118.143 2.863 0.00 0.00 P ATOM 20741 O1P C A 970 220.089 119.244 3.762 0.00 0.00 O ATOM 20742 O2P C A 970 219.483 118.378 1.418 0.00 0.00 O ATOM 20743 O5* C A 970 220.746 116.949 2.998 0.00 0.00 O ATOM 20744 C5* C A 970 221.302 116.585 4.244 0.00 0.00 C ATOM 20745 C4* C A 970 222.272 115.416 4.063 0.00 0.00 C ATOM 20746 O4* C A 970 221.651 114.314 3.396 0.00 0.00 O ATOM 20747 C3* C A 970 223.502 115.773 3.229 0.00 0.00 C ATOM 20748 O3* C A 970 224.523 116.467 3.933 0.00 0.00 O ATOM 20749 C2* C A 970 223.944 114.364 2.851 0.00 0.00 C ATOM 20750 O2* C A 970 224.541 113.692 3.948 0.00 0.00 O ATOM 20751 C1* C A 970 222.620 113.648 2.590 0.00 0.00 C ATOM 20752 N1 C A 970 222.276 113.615 1.133 0.00 0.00 N ATOM 20753 C2 C A 970 222.861 112.618 0.338 0.00 0.00 C ATOM 20754 O2 C A 970 223.677 111.831 0.827 0.00 0.00 O ATOM 20755 N3 C A 970 222.539 112.515 -0.983 0.00 0.00 N ATOM 20756 C4 C A 970 221.699 113.392 -1.515 0.00 0.00 C ATOM 20757 N4 C A 970 221.430 113.251 -2.796 0.00 0.00 N ATOM 20758 C5 C A 970 221.097 114.438 -0.753 0.00 0.00 C ATOM 20759 C6 C A 970 221.411 114.518 0.564 0.00 0.00 C ATOM 20760 P G A 971 225.404 117.585 3.187 0.00 0.00 P ATOM 20761 O1P G A 971 224.640 118.846 3.227 0.00 0.00 O ATOM 20762 O2P G A 971 225.882 117.021 1.906 0.00 0.00 O ATOM 20763 O5* G A 971 226.723 117.740 4.095 0.00 0.00 O ATOM 20764 C5* G A 971 226.642 118.018 5.478 0.00 0.00 C ATOM 20765 C4* G A 971 227.293 119.347 5.884 0.00 0.00 C ATOM 20766 O4* G A 971 228.714 119.221 5.881 0.00 0.00 O ATOM 20767 C3* G A 971 226.947 120.566 5.011 0.00 0.00 C ATOM 20768 O3* G A 971 226.820 121.658 5.905 0.00 0.00 O ATOM 20769 C2* G A 971 228.231 120.665 4.175 0.00 0.00 C ATOM 20770 O2* G A 971 228.445 121.858 3.434 0.00 0.00 O ATOM 20771 C1* G A 971 229.240 120.401 5.297 0.00 0.00 C ATOM 20772 N9 G A 971 230.662 120.264 4.891 0.00 0.00 N ATOM 20773 C8 G A 971 231.184 120.185 3.624 0.00 0.00 C ATOM 20774 N7 G A 971 232.486 120.109 3.584 0.00 0.00 N ATOM 20775 C5 G A 971 232.876 120.166 4.925 0.00 0.00 C ATOM 20776 C6 G A 971 234.182 120.114 5.541 0.00 0.00 C ATOM 20777 O6 G A 971 235.301 120.000 5.035 0.00 0.00 O ATOM 20778 N1 G A 971 234.146 120.193 6.923 0.00 0.00 N ATOM 20779 C2 G A 971 232.989 120.360 7.630 0.00 0.00 C ATOM 20780 N2 G A 971 233.101 120.403 8.943 0.00 0.00 N ATOM 20781 N3 G A 971 231.766 120.438 7.096 0.00 0.00 N ATOM 20782 C4 G A 971 231.763 120.308 5.731 0.00 0.00 C ATOM 20783 P C A 972 225.548 122.616 5.897 0.00 0.00 P ATOM 20784 O1P C A 972 225.040 122.708 4.513 0.00 0.00 O ATOM 20785 O2P C A 972 225.991 123.844 6.590 0.00 0.00 O ATOM 20786 O5* C A 972 224.446 121.858 6.817 0.00 0.00 O ATOM 20787 C5* C A 972 223.915 120.578 6.484 0.00 0.00 C ATOM 20788 C4* C A 972 222.477 120.386 7.007 0.00 0.00 C ATOM 20789 O4* C A 972 221.895 119.208 6.474 0.00 0.00 O ATOM 20790 C3* C A 972 222.369 120.273 8.519 0.00 0.00 C ATOM 20791 O3* C A 972 222.428 121.551 9.131 0.00 0.00 O ATOM 20792 C2* C A 972 221.010 119.577 8.633 0.00 0.00 C ATOM 20793 O2* C A 972 219.942 120.496 8.435 0.00 0.00 O ATOM 20794 C1* C A 972 221.076 118.584 7.455 0.00 0.00 C ATOM 20795 N1 C A 972 221.674 117.270 7.845 0.00 0.00 N ATOM 20796 C2 C A 972 220.906 116.317 8.542 0.00 0.00 C ATOM 20797 O2 C A 972 219.742 116.533 8.895 0.00 0.00 O ATOM 20798 N3 C A 972 221.456 115.120 8.873 0.00 0.00 N ATOM 20799 C4 C A 972 222.731 114.883 8.587 0.00 0.00 C ATOM 20800 N4 C A 972 223.226 113.724 8.935 0.00 0.00 N ATOM 20801 C5 C A 972 223.554 115.830 7.913 0.00 0.00 C ATOM 20802 C6 C A 972 222.984 116.990 7.533 0.00 0.00 C ATOM 20803 P G A 973 222.965 121.730 10.615 0.00 0.00 P ATOM 20804 O1P G A 973 223.156 123.160 10.902 0.00 0.00 O ATOM 20805 O2P G A 973 224.124 120.824 10.774 0.00 0.00 O ATOM 20806 O5* G A 973 221.766 121.208 11.543 0.00 0.00 O ATOM 20807 C5* G A 973 220.572 121.962 11.670 0.00 0.00 C ATOM 20808 C4* G A 973 219.613 121.360 12.700 0.00 0.00 C ATOM 20809 O4* G A 973 219.126 120.086 12.292 0.00 0.00 O ATOM 20810 C3* G A 973 220.243 121.176 14.078 0.00 0.00 C ATOM 20811 O3* G A 973 220.271 122.387 14.836 0.00 0.00 O ATOM 20812 C2* G A 973 219.333 120.092 14.650 0.00 0.00 C ATOM 20813 O2* G A 973 218.088 120.624 15.098 0.00 0.00 O ATOM 20814 C1* G A 973 219.096 119.218 13.414 0.00 0.00 C ATOM 20815 N9 G A 973 220.100 118.145 13.212 0.00 0.00 N ATOM 20816 C8 G A 973 221.278 118.151 12.502 0.00 0.00 C ATOM 20817 N7 G A 973 221.873 116.992 12.446 0.00 0.00 N ATOM 20818 C5 G A 973 221.035 116.144 13.177 0.00 0.00 C ATOM 20819 C6 G A 973 221.136 114.748 13.515 0.00 0.00 C ATOM 20820 O6 G A 973 222.005 113.925 13.232 0.00 0.00 O ATOM 20821 N1 G A 973 220.085 114.298 14.294 0.00 0.00 N ATOM 20822 C2 G A 973 219.039 115.083 14.690 0.00 0.00 C ATOM 20823 N2 G A 973 218.148 114.540 15.489 0.00 0.00 N ATOM 20824 N3 G A 973 218.897 116.373 14.379 0.00 0.00 N ATOM 20825 C4 G A 973 219.940 116.848 13.634 0.00 0.00 C ATOM 20826 P A A 974 221.106 122.491 16.206 0.00 0.00 P ATOM 20827 O1P A A 974 221.253 121.132 16.754 0.00 0.00 O ATOM 20828 O2P A A 974 220.337 123.447 17.044 0.00 0.00 O ATOM 20829 O5* A A 974 222.544 123.108 15.739 0.00 0.00 O ATOM 20830 C5* A A 974 223.318 122.622 14.625 0.00 0.00 C ATOM 20831 C4* A A 974 224.645 121.917 14.984 0.00 0.00 C ATOM 20832 O4* A A 974 224.426 120.696 15.678 0.00 0.00 O ATOM 20833 C3* A A 974 225.412 121.544 13.706 0.00 0.00 C ATOM 20834 O3* A A 974 226.818 121.726 13.885 0.00 0.00 O ATOM 20835 C2* A A 974 225.078 120.055 13.520 0.00 0.00 C ATOM 20836 O2* A A 974 226.080 119.392 12.755 0.00 0.00 O ATOM 20837 C1* A A 974 224.966 119.589 14.966 0.00 0.00 C ATOM 20838 N9 A A 974 224.058 118.433 15.197 0.00 0.00 N ATOM 20839 C8 A A 974 222.747 118.473 15.610 0.00 0.00 C ATOM 20840 N7 A A 974 222.247 117.320 15.958 0.00 0.00 N ATOM 20841 C5 A A 974 223.300 116.433 15.725 0.00 0.00 C ATOM 20842 C6 A A 974 223.471 115.040 15.909 0.00 0.00 C ATOM 20843 N6 A A 974 222.546 114.227 16.392 0.00 0.00 N ATOM 20844 N1 A A 974 224.645 114.466 15.633 0.00 0.00 N ATOM 20845 C2 A A 974 225.624 115.234 15.170 0.00 0.00 C ATOM 20846 N3 A A 974 225.615 116.554 14.966 0.00 0.00 N ATOM 20847 C4 A A 974 224.404 117.101 15.256 0.00 0.00 C ATOM 20848 P A A 975 227.600 123.010 13.303 0.00 0.00 P ATOM 20849 O1P A A 975 226.979 123.348 12.003 0.00 0.00 O ATOM 20850 O2P A A 975 229.050 122.741 13.364 0.00 0.00 O ATOM 20851 O5* A A 975 227.255 124.172 14.355 0.00 0.00 O ATOM 20852 C5* A A 975 227.982 125.392 14.404 0.00 0.00 C ATOM 20853 C4* A A 975 227.680 126.202 15.692 0.00 0.00 C ATOM 20854 O4* A A 975 227.831 127.579 15.425 0.00 0.00 O ATOM 20855 C3* A A 975 226.246 125.987 16.247 0.00 0.00 C ATOM 20856 O3* A A 975 225.991 125.124 17.349 0.00 0.00 O ATOM 20857 C2* A A 975 225.663 127.380 16.477 0.00 0.00 C ATOM 20858 O2* A A 975 225.637 127.840 17.821 0.00 0.00 O ATOM 20859 C1* A A 975 226.610 128.247 15.657 0.00 0.00 C ATOM 20860 N9 A A 975 226.041 128.556 14.340 0.00 0.00 N ATOM 20861 C8 A A 975 225.693 127.710 13.310 0.00 0.00 C ATOM 20862 N7 A A 975 225.403 128.320 12.198 0.00 0.00 N ATOM 20863 C5 A A 975 225.530 129.662 12.553 0.00 0.00 C ATOM 20864 C6 A A 975 225.383 130.855 11.838 0.00 0.00 C ATOM 20865 N6 A A 975 225.033 130.840 10.569 0.00 0.00 N ATOM 20866 N1 A A 975 225.587 132.038 12.419 0.00 0.00 N ATOM 20867 C2 A A 975 225.877 132.041 13.718 0.00 0.00 C ATOM 20868 N3 A A 975 226.045 131.002 14.537 0.00 0.00 N ATOM 20869 C4 A A 975 225.872 129.825 13.864 0.00 0.00 C ATOM 20870 P G A 976 226.960 124.861 18.612 0.00 0.00 P ATOM 20871 O1P G A 976 226.136 124.621 19.811 0.00 0.00 O ATOM 20872 O2P G A 976 228.092 125.815 18.699 0.00 0.00 O ATOM 20873 O5* G A 976 227.492 123.428 18.123 0.00 0.00 O ATOM 20874 C5* G A 976 228.273 123.191 16.952 0.00 0.00 C ATOM 20875 C4* G A 976 229.507 122.315 17.206 0.00 0.00 C ATOM 20876 O4* G A 976 230.684 123.063 16.867 0.00 0.00 O ATOM 20877 C3* G A 976 229.623 121.990 18.698 0.00 0.00 C ATOM 20878 O3* G A 976 230.391 120.809 18.891 0.00 0.00 O ATOM 20879 C2* G A 976 230.317 123.288 19.113 0.00 0.00 C ATOM 20880 O2* G A 976 230.550 123.289 20.497 0.00 0.00 O ATOM 20881 C1* G A 976 231.437 123.256 18.056 0.00 0.00 C ATOM 20882 N9 G A 976 232.392 124.403 17.960 0.00 0.00 N ATOM 20883 C8 G A 976 232.671 125.395 18.867 0.00 0.00 C ATOM 20884 N7 G A 976 233.561 126.267 18.474 0.00 0.00 N ATOM 20885 C5 G A 976 234.096 125.678 17.338 0.00 0.00 C ATOM 20886 C6 G A 976 235.281 126.010 16.599 0.00 0.00 C ATOM 20887 O6 G A 976 236.006 127.001 16.684 0.00 0.00 O ATOM 20888 N1 G A 976 235.648 125.015 15.716 0.00 0.00 N ATOM 20889 C2 G A 976 234.953 123.858 15.543 0.00 0.00 C ATOM 20890 N2 G A 976 235.479 122.995 14.711 0.00 0.00 N ATOM 20891 N3 G A 976 233.834 123.532 16.183 0.00 0.00 N ATOM 20892 C4 G A 976 233.446 124.488 17.077 0.00 0.00 C ATOM 20893 P A A 977 229.760 119.589 19.724 0.00 0.00 P ATOM 20894 O1P A A 977 228.297 119.539 19.489 0.00 0.00 O ATOM 20895 O2P A A 977 230.326 119.639 21.088 0.00 0.00 O ATOM 20896 O5* A A 977 230.404 118.356 18.940 0.00 0.00 O ATOM 20897 C5* A A 977 231.739 117.955 19.154 0.00 0.00 C ATOM 20898 C4* A A 977 231.845 116.698 19.996 0.00 0.00 C ATOM 20899 O4* A A 977 231.150 115.675 19.306 0.00 0.00 O ATOM 20900 C3* A A 977 233.282 116.162 20.157 0.00 0.00 C ATOM 20901 O3* A A 977 234.059 116.822 21.158 0.00 0.00 O ATOM 20902 C2* A A 977 232.906 114.729 20.531 0.00 0.00 C ATOM 20903 O2* A A 977 232.439 114.727 21.861 0.00 0.00 O ATOM 20904 C1* A A 977 231.649 114.426 19.724 0.00 0.00 C ATOM 20905 N9 A A 977 231.747 113.566 18.524 0.00 0.00 N ATOM 20906 C8 A A 977 230.707 112.857 17.983 0.00 0.00 C ATOM 20907 N7 A A 977 231.000 112.194 16.900 0.00 0.00 N ATOM 20908 C5 A A 977 232.349 112.499 16.700 0.00 0.00 C ATOM 20909 C6 A A 977 233.307 112.129 15.725 0.00 0.00 C ATOM 20910 N6 A A 977 233.066 111.347 14.687 0.00 0.00 N ATOM 20911 N1 A A 977 234.566 112.567 15.811 0.00 0.00 N ATOM 20912 C2 A A 977 234.878 113.372 16.817 0.00 0.00 C ATOM 20913 N3 A A 977 234.091 113.809 17.794 0.00 0.00 N ATOM 20914 C4 A A 977 232.819 113.330 17.687 0.00 0.00 C ATOM 20915 P A A 978 235.627 116.480 21.426 0.00 0.00 P ATOM 20916 O1P A A 978 236.099 117.357 22.515 0.00 0.00 O ATOM 20917 O2P A A 978 236.343 116.454 20.125 0.00 0.00 O ATOM 20918 O5* A A 978 235.656 115.013 22.061 0.00 0.00 O ATOM 20919 C5* A A 978 236.141 113.862 21.383 0.00 0.00 C ATOM 20920 C4* A A 978 237.231 113.173 22.211 0.00 0.00 C ATOM 20921 O4* A A 978 238.395 113.957 22.329 0.00 0.00 O ATOM 20922 C3* A A 978 236.814 112.919 23.652 0.00 0.00 C ATOM 20923 O3* A A 978 236.012 111.776 23.691 0.00 0.00 O ATOM 20924 C2* A A 978 238.117 112.823 24.457 0.00 0.00 C ATOM 20925 O2* A A 978 238.643 111.524 24.705 0.00 0.00 O ATOM 20926 C1* A A 978 239.058 113.611 23.538 0.00 0.00 C ATOM 20927 N9 A A 978 239.457 114.861 24.196 0.00 0.00 N ATOM 20928 C8 A A 978 238.791 116.061 24.218 0.00 0.00 C ATOM 20929 N7 A A 978 239.426 117.008 24.855 0.00 0.00 N ATOM 20930 C5 A A 978 240.602 116.376 25.270 0.00 0.00 C ATOM 20931 C6 A A 978 241.755 116.799 25.967 0.00 0.00 C ATOM 20932 N6 A A 978 241.963 118.038 26.374 0.00 0.00 N ATOM 20933 N1 A A 978 242.733 115.936 26.270 0.00 0.00 N ATOM 20934 C2 A A 978 242.580 114.676 25.873 0.00 0.00 C ATOM 20935 N3 A A 978 241.576 114.133 25.195 0.00 0.00 N ATOM 20936 C4 A A 978 240.608 115.054 24.915 0.00 0.00 C ATOM 20937 P C A 979 234.476 111.892 24.099 0.00 0.00 P ATOM 20938 O1P C A 979 233.888 110.598 23.708 0.00 0.00 O ATOM 20939 O2P C A 979 233.912 113.158 23.548 0.00 0.00 O ATOM 20940 O5* C A 979 234.688 112.014 25.708 0.00 0.00 O ATOM 20941 C5* C A 979 235.256 110.936 26.451 0.00 0.00 C ATOM 20942 C4* C A 979 235.542 111.249 27.933 0.00 0.00 C ATOM 20943 O4* C A 979 236.647 112.140 28.080 0.00 0.00 O ATOM 20944 C3* C A 979 234.382 111.891 28.685 0.00 0.00 C ATOM 20945 O3* C A 979 233.382 111.000 29.140 0.00 0.00 O ATOM 20946 C2* C A 979 235.105 112.586 29.845 0.00 0.00 C ATOM 20947 O2* C A 979 235.538 111.789 30.930 0.00 0.00 O ATOM 20948 C1* C A 979 236.390 113.038 29.161 0.00 0.00 C ATOM 20949 N1 C A 979 236.224 114.441 28.705 0.00 0.00 N ATOM 20950 C2 C A 979 236.236 115.463 29.666 0.00 0.00 C ATOM 20951 O2 C A 979 236.507 115.213 30.853 0.00 0.00 O ATOM 20952 N3 C A 979 235.952 116.738 29.276 0.00 0.00 N ATOM 20953 C4 C A 979 235.741 116.997 27.986 0.00 0.00 C ATOM 20954 N4 C A 979 235.476 118.226 27.621 0.00 0.00 N ATOM 20955 C5 C A 979 235.814 116.000 26.976 0.00 0.00 C ATOM 20956 C6 C A 979 236.030 114.730 27.378 0.00 0.00 C ATOM 20957 P C A 980 231.860 111.154 28.632 0.00 0.00 P ATOM 20958 O1P C A 980 230.981 110.273 29.427 0.00 0.00 O ATOM 20959 O2P C A 980 231.824 111.134 27.159 0.00 0.00 O ATOM 20960 O5* C A 980 231.577 112.663 29.078 0.00 0.00 O ATOM 20961 C5* C A 980 231.491 113.002 30.444 0.00 0.00 C ATOM 20962 C4* C A 980 231.300 114.508 30.558 0.00 0.00 C ATOM 20963 O4* C A 980 232.378 115.211 29.941 0.00 0.00 O ATOM 20964 C3* C A 980 230.013 114.974 29.882 0.00 0.00 C ATOM 20965 O3* C A 980 228.866 114.760 30.700 0.00 0.00 O ATOM 20966 C2* C A 980 230.370 116.457 29.731 0.00 0.00 C ATOM 20967 O2* C A 980 230.187 117.125 30.972 0.00 0.00 O ATOM 20968 C1* C A 980 231.869 116.423 29.401 0.00 0.00 C ATOM 20969 N1 C A 980 232.134 116.563 27.934 0.00 0.00 N ATOM 20970 C2 C A 980 232.197 117.860 27.408 0.00 0.00 C ATOM 20971 O2 C A 980 231.991 118.828 28.137 0.00 0.00 O ATOM 20972 N3 C A 980 232.486 118.050 26.091 0.00 0.00 N ATOM 20973 C4 C A 980 232.703 117.008 25.304 0.00 0.00 C ATOM 20974 N4 C A 980 232.997 117.274 24.050 0.00 0.00 N ATOM 20975 C5 C A 980 232.645 115.669 25.795 0.00 0.00 C ATOM 20976 C6 C A 980 232.358 115.485 27.110 0.00 0.00 C ATOM 20977 P U A 981 227.448 114.290 30.114 0.00 0.00 P ATOM 20978 O1P U A 981 226.390 114.746 31.036 0.00 0.00 O ATOM 20979 O2P U A 981 227.529 112.855 29.769 0.00 0.00 O ATOM 20980 O5* U A 981 227.309 115.137 28.764 0.00 0.00 O ATOM 20981 C5* U A 981 226.968 116.507 28.807 0.00 0.00 C ATOM 20982 C4* U A 981 227.141 117.151 27.434 0.00 0.00 C ATOM 20983 O4* U A 981 228.483 117.100 26.985 0.00 0.00 O ATOM 20984 C3* U A 981 226.298 116.481 26.364 0.00 0.00 C ATOM 20985 O3* U A 981 224.950 116.845 26.584 0.00 0.00 O ATOM 20986 C2* U A 981 226.995 117.025 25.116 0.00 0.00 C ATOM 20987 O2* U A 981 226.670 118.385 24.852 0.00 0.00 O ATOM 20988 C1* U A 981 228.463 116.942 25.576 0.00 0.00 C ATOM 20989 N1 U A 981 229.108 115.660 25.179 0.00 0.00 N ATOM 20990 C2 U A 981 229.706 115.644 23.922 0.00 0.00 C ATOM 20991 O2 U A 981 229.676 116.596 23.150 0.00 0.00 O ATOM 20992 N3 U A 981 230.334 114.484 23.555 0.00 0.00 N ATOM 20993 C4 U A 981 230.403 113.324 24.279 0.00 0.00 C ATOM 20994 O4 U A 981 230.886 112.338 23.750 0.00 0.00 O ATOM 20995 C5 U A 981 229.812 113.418 25.596 0.00 0.00 C ATOM 20996 C6 U A 981 229.185 114.554 26.007 0.00 0.00 C ATOM 20997 P U A 982 223.728 116.001 26.007 0.00 0.00 P ATOM 20998 O1P U A 982 223.728 116.120 24.534 0.00 0.00 O ATOM 20999 O2P U A 982 222.544 116.429 26.812 0.00 0.00 O ATOM 21000 O5* U A 982 224.110 114.478 26.377 0.00 0.00 O ATOM 21001 C5* U A 982 223.158 113.433 26.270 0.00 0.00 C ATOM 21002 C4* U A 982 223.806 112.053 26.077 0.00 0.00 C ATOM 21003 O4* U A 982 224.388 111.998 24.783 0.00 0.00 O ATOM 21004 C3* U A 982 224.912 111.707 27.082 0.00 0.00 C ATOM 21005 O3* U A 982 224.900 110.308 27.347 0.00 0.00 O ATOM 21006 C2* U A 982 226.184 112.064 26.313 0.00 0.00 C ATOM 21007 O2* U A 982 227.315 111.353 26.797 0.00 0.00 O ATOM 21008 C1* U A 982 225.752 111.640 24.914 0.00 0.00 C ATOM 21009 N1 U A 982 226.562 112.269 23.842 0.00 0.00 N ATOM 21010 C2 U A 982 227.483 111.467 23.168 0.00 0.00 C ATOM 21011 O2 U A 982 227.617 110.270 23.400 0.00 0.00 O ATOM 21012 N3 U A 982 228.221 112.078 22.175 0.00 0.00 N ATOM 21013 C4 U A 982 228.072 113.374 21.735 0.00 0.00 C ATOM 21014 O4 U A 982 228.745 113.792 20.805 0.00 0.00 O ATOM 21015 C5 U A 982 227.079 114.136 22.460 0.00 0.00 C ATOM 21016 C6 U A 982 226.365 113.582 23.474 0.00 0.00 C ATOM 21017 P A A 983 224.048 109.692 28.544 0.00 0.00 P ATOM 21018 O1P A A 983 224.099 110.687 29.638 0.00 0.00 O ATOM 21019 O2P A A 983 224.564 108.332 28.794 0.00 0.00 O ATOM 21020 O5* A A 983 222.575 109.585 27.892 0.00 0.00 O ATOM 21021 C5* A A 983 222.294 108.490 27.026 0.00 0.00 C ATOM 21022 C4* A A 983 221.111 108.683 26.055 0.00 0.00 C ATOM 21023 O4* A A 983 221.297 109.883 25.323 0.00 0.00 O ATOM 21024 C3* A A 983 221.066 107.560 25.003 0.00 0.00 C ATOM 21025 O3* A A 983 220.237 106.460 25.367 0.00 0.00 O ATOM 21026 C2* A A 983 220.617 108.257 23.700 0.00 0.00 C ATOM 21027 O2* A A 983 219.287 108.020 23.263 0.00 0.00 O ATOM 21028 C1* A A 983 220.855 109.749 23.985 0.00 0.00 C ATOM 21029 N9 A A 983 221.873 110.375 23.101 0.00 0.00 N ATOM 21030 C8 A A 983 221.790 111.600 22.486 0.00 0.00 C ATOM 21031 N7 A A 983 222.813 111.902 21.733 0.00 0.00 N ATOM 21032 C5 A A 983 223.641 110.783 21.858 0.00 0.00 C ATOM 21033 C6 A A 983 224.888 110.421 21.299 0.00 0.00 C ATOM 21034 N6 A A 983 225.571 111.217 20.492 0.00 0.00 N ATOM 21035 N1 A A 983 225.443 109.226 21.557 0.00 0.00 N ATOM 21036 C2 A A 983 224.796 108.427 22.398 0.00 0.00 C ATOM 21037 N3 A A 983 223.632 108.639 23.004 0.00 0.00 N ATOM 21038 C4 A A 983 223.087 109.850 22.692 0.00 0.00 C ATOM 21039 P C A 984 220.822 105.111 26.024 0.00 0.00 P ATOM 21040 O1P C A 984 219.748 104.097 26.109 0.00 0.00 O ATOM 21041 O2P C A 984 221.621 105.410 27.226 0.00 0.00 O ATOM 21042 O5* C A 984 221.808 104.607 24.884 0.00 0.00 O ATOM 21043 C5* C A 984 221.307 104.139 23.647 0.00 0.00 C ATOM 21044 C4* C A 984 222.407 103.404 22.901 0.00 0.00 C ATOM 21045 O4* C A 984 223.380 104.312 22.398 0.00 0.00 O ATOM 21046 C3* C A 984 223.141 102.373 23.772 0.00 0.00 C ATOM 21047 O3* C A 984 222.410 101.153 23.965 0.00 0.00 O ATOM 21048 C2* C A 984 224.395 102.270 22.900 0.00 0.00 C ATOM 21049 O2* C A 984 224.069 101.552 21.716 0.00 0.00 O ATOM 21050 C1* C A 984 224.674 103.739 22.529 0.00 0.00 C ATOM 21051 N1 C A 984 225.484 104.529 23.519 0.00 0.00 N ATOM 21052 C2 C A 984 226.888 104.421 23.514 0.00 0.00 C ATOM 21053 O2 C A 984 227.468 103.574 22.828 0.00 0.00 O ATOM 21054 N3 C A 984 227.637 105.252 24.295 0.00 0.00 N ATOM 21055 C4 C A 984 227.030 106.172 25.045 0.00 0.00 C ATOM 21056 N4 C A 984 227.743 106.992 25.778 0.00 0.00 N ATOM 21057 C5 C A 984 225.622 106.308 25.096 0.00 0.00 C ATOM 21058 C6 C A 984 224.887 105.478 24.323 0.00 0.00 C ATOM 21059 P C A 985 222.805 100.110 25.127 0.00 0.00 P ATOM 21060 O1P C A 985 222.039 98.842 25.052 0.00 0.00 O ATOM 21061 O2P C A 985 222.877 100.803 26.432 0.00 0.00 O ATOM 21062 O5* C A 985 224.284 99.700 24.786 0.00 0.00 O ATOM 21063 C5* C A 985 224.622 98.886 23.685 0.00 0.00 C ATOM 21064 C4* C A 985 226.111 98.582 23.788 0.00 0.00 C ATOM 21065 O4* C A 985 226.946 99.725 23.613 0.00 0.00 O ATOM 21066 C3* C A 985 226.462 98.001 25.157 0.00 0.00 C ATOM 21067 O3* C A 985 226.069 96.645 25.255 0.00 0.00 O ATOM 21068 C2* C A 985 227.962 98.219 25.114 0.00 0.00 C ATOM 21069 O2* C A 985 228.497 97.264 24.211 0.00 0.00 O ATOM 21070 C1* C A 985 228.046 99.635 24.520 0.00 0.00 C ATOM 21071 N1 C A 985 227.968 100.744 25.534 0.00 0.00 N ATOM 21072 C2 C A 985 229.136 101.151 26.200 0.00 0.00 C ATOM 21073 O2 C A 985 230.173 100.492 26.143 0.00 0.00 O ATOM 21074 N3 C A 985 229.143 102.298 26.934 0.00 0.00 N ATOM 21075 C4 C A 985 228.026 103.011 27.038 0.00 0.00 C ATOM 21076 N4 C A 985 228.065 104.147 27.692 0.00 0.00 N ATOM 21077 C5 C A 985 226.797 102.608 26.444 0.00 0.00 C ATOM 21078 C6 C A 985 226.810 101.473 25.707 0.00 0.00 C ATOM 21079 P U A 986 225.902 95.947 26.678 0.00 0.00 P ATOM 21080 O1P U A 986 225.528 94.549 26.409 0.00 0.00 O ATOM 21081 O2P U A 986 224.950 96.818 27.412 0.00 0.00 O ATOM 21082 O5* U A 986 227.364 96.017 27.371 0.00 0.00 O ATOM 21083 C5* U A 986 228.403 95.122 26.995 0.00 0.00 C ATOM 21084 C4* U A 986 229.731 95.372 27.730 0.00 0.00 C ATOM 21085 O4* U A 986 230.288 96.648 27.414 0.00 0.00 O ATOM 21086 C3* U A 986 229.662 95.304 29.256 0.00 0.00 C ATOM 21087 O3* U A 986 229.592 93.981 29.764 0.00 0.00 O ATOM 21088 C2* U A 986 230.971 96.030 29.597 0.00 0.00 C ATOM 21089 O2* U A 986 232.142 95.263 29.353 0.00 0.00 O ATOM 21090 C1* U A 986 230.958 97.159 28.567 0.00 0.00 C ATOM 21091 N1 U A 986 230.306 98.384 29.112 0.00 0.00 N ATOM 21092 C2 U A 986 231.083 99.235 29.907 0.00 0.00 C ATOM 21093 O2 U A 986 232.207 98.942 30.315 0.00 0.00 O ATOM 21094 N3 U A 986 230.520 100.452 30.237 0.00 0.00 N ATOM 21095 C4 U A 986 229.260 100.882 29.898 0.00 0.00 C ATOM 21096 O4 U A 986 228.906 102.013 30.208 0.00 0.00 O ATOM 21097 C5 U A 986 228.467 99.899 29.187 0.00 0.00 C ATOM 21098 C6 U A 986 228.997 98.702 28.820 0.00 0.00 C ATOM 21099 P G A 987 228.873 93.650 31.171 0.00 0.00 P ATOM 21100 O1P G A 987 228.770 92.184 31.313 0.00 0.00 O ATOM 21101 O2P G A 987 227.684 94.524 31.322 0.00 0.00 O ATOM 21102 O5* G A 987 229.901 94.196 32.264 0.00 0.00 O ATOM 21103 C5* G A 987 231.090 93.529 32.623 0.00 0.00 C ATOM 21104 C4* G A 987 231.937 94.516 33.433 0.00 0.00 C ATOM 21105 O4* G A 987 232.150 95.692 32.649 0.00 0.00 O ATOM 21106 C3* G A 987 231.284 94.971 34.741 0.00 0.00 C ATOM 21107 O3* G A 987 231.489 94.092 35.832 0.00 0.00 O ATOM 21108 C2* G A 987 231.949 96.336 34.922 0.00 0.00 C ATOM 21109 O2* G A 987 233.300 96.297 35.360 0.00 0.00 O ATOM 21110 C1* G A 987 231.976 96.833 33.480 0.00 0.00 C ATOM 21111 N9 G A 987 230.758 97.635 33.198 0.00 0.00 N ATOM 21112 C8 G A 987 229.581 97.342 32.555 0.00 0.00 C ATOM 21113 N7 G A 987 228.703 98.315 32.565 0.00 0.00 N ATOM 21114 C5 G A 987 229.362 99.358 33.237 0.00 0.00 C ATOM 21115 C6 G A 987 228.994 100.721 33.554 0.00 0.00 C ATOM 21116 O6 G A 987 227.982 101.360 33.259 0.00 0.00 O ATOM 21117 N1 G A 987 229.958 101.378 34.306 0.00 0.00 N ATOM 21118 C2 G A 987 231.145 100.813 34.686 0.00 0.00 C ATOM 21119 N2 G A 987 231.994 101.492 35.415 0.00 0.00 N ATOM 21120 N3 G A 987 231.538 99.593 34.358 0.00 0.00 N ATOM 21121 C4 G A 987 230.604 98.918 33.640 0.00 0.00 C ATOM 21122 P G A 988 230.512 94.128 37.111 0.00 0.00 P ATOM 21123 O1P G A 988 230.864 92.986 37.980 0.00 0.00 O ATOM 21124 O2P G A 988 229.127 94.298 36.615 0.00 0.00 O ATOM 21125 O5* G A 988 230.930 95.491 37.856 0.00 0.00 O ATOM 21126 C5* G A 988 232.060 95.553 38.711 0.00 0.00 C ATOM 21127 C4* G A 988 232.116 96.908 39.419 0.00 0.00 C ATOM 21128 O4* G A 988 232.215 97.952 38.454 0.00 0.00 O ATOM 21129 C3* G A 988 230.881 97.209 40.272 0.00 0.00 C ATOM 21130 O3* G A 988 230.867 96.594 41.551 0.00 0.00 O ATOM 21131 C2* G A 988 230.983 98.732 40.339 0.00 0.00 C ATOM 21132 O2* G A 988 231.969 99.216 41.245 0.00 0.00 O ATOM 21133 C1* G A 988 231.466 99.063 38.928 0.00 0.00 C ATOM 21134 N9 G A 988 230.306 99.369 38.062 0.00 0.00 N ATOM 21135 C8 G A 988 229.554 98.563 37.245 0.00 0.00 C ATOM 21136 N7 G A 988 228.553 99.177 36.664 0.00 0.00 N ATOM 21137 C5 G A 988 228.625 100.485 37.162 0.00 0.00 C ATOM 21138 C6 G A 988 227.795 101.649 36.965 0.00 0.00 C ATOM 21139 O6 G A 988 226.786 101.796 36.274 0.00 0.00 O ATOM 21140 N1 G A 988 228.212 102.739 37.713 0.00 0.00 N ATOM 21141 C2 G A 988 229.305 102.731 38.535 0.00 0.00 C ATOM 21142 N2 G A 988 229.569 103.799 39.249 0.00 0.00 N ATOM 21143 N3 G A 988 230.092 101.683 38.733 0.00 0.00 N ATOM 21144 C4 G A 988 229.699 100.593 38.019 0.00 0.00 C ATOM 21145 P U A 989 229.479 96.348 42.334 0.00 0.00 P ATOM 21146 O1P U A 989 229.793 95.744 43.647 0.00 0.00 O ATOM 21147 O2P U A 989 228.544 95.678 41.408 0.00 0.00 O ATOM 21148 O5* U A 989 228.908 97.837 42.580 0.00 0.00 O ATOM 21149 C5* U A 989 229.459 98.694 43.561 0.00 0.00 C ATOM 21150 C4* U A 989 228.880 100.112 43.439 0.00 0.00 C ATOM 21151 O4* U A 989 228.973 100.602 42.101 0.00 0.00 O ATOM 21152 C3* U A 989 227.409 100.243 43.824 0.00 0.00 C ATOM 21153 O3* U A 989 227.179 100.281 45.220 0.00 0.00 O ATOM 21154 C2* U A 989 227.086 101.575 43.145 0.00 0.00 C ATOM 21155 O2* U A 989 227.638 102.704 43.814 0.00 0.00 O ATOM 21156 C1* U A 989 227.845 101.428 41.826 0.00 0.00 C ATOM 21157 N1 U A 989 226.950 100.911 40.749 0.00 0.00 N ATOM 21158 C2 U A 989 226.116 101.844 40.131 0.00 0.00 C ATOM 21159 O2 U A 989 226.103 103.035 40.433 0.00 0.00 O ATOM 21160 N3 U A 989 225.269 101.375 39.152 0.00 0.00 N ATOM 21161 C4 U A 989 225.144 100.074 38.730 0.00 0.00 C ATOM 21162 O4 U A 989 224.301 99.788 37.882 0.00 0.00 O ATOM 21163 C5 U A 989 226.033 99.155 39.415 0.00 0.00 C ATOM 21164 C6 U A 989 226.890 99.580 40.386 0.00 0.00 C ATOM 21165 P C A 990 225.711 100.018 45.822 0.00 0.00 P ATOM 21166 O1P C A 990 225.841 99.986 47.292 0.00 0.00 O ATOM 21167 O2P C A 990 225.143 98.862 45.098 0.00 0.00 O ATOM 21168 O5* C A 990 224.842 101.314 45.401 0.00 0.00 O ATOM 21169 C5* C A 990 224.943 102.557 46.074 0.00 0.00 C ATOM 21170 C4* C A 990 223.853 103.539 45.602 0.00 0.00 C ATOM 21171 O4* C A 990 223.958 103.832 44.205 0.00 0.00 O ATOM 21172 C3* C A 990 222.422 103.043 45.817 0.00 0.00 C ATOM 21173 O3* C A 990 221.939 103.190 47.146 0.00 0.00 O ATOM 21174 C2* C A 990 221.675 103.947 44.830 0.00 0.00 C ATOM 21175 O2* C A 990 221.475 105.272 45.313 0.00 0.00 O ATOM 21176 C1* C A 990 222.647 104.007 43.656 0.00 0.00 C ATOM 21177 N1 C A 990 222.297 102.951 42.656 0.00 0.00 N ATOM 21178 C2 C A 990 221.253 103.180 41.738 0.00 0.00 C ATOM 21179 O2 C A 990 220.581 104.216 41.754 0.00 0.00 O ATOM 21180 N3 C A 990 220.958 102.239 40.802 0.00 0.00 N ATOM 21181 C4 C A 990 221.659 101.110 40.771 0.00 0.00 C ATOM 21182 N4 C A 990 221.396 100.250 39.818 0.00 0.00 N ATOM 21183 C5 C A 990 222.673 100.803 41.721 0.00 0.00 C ATOM 21184 C6 C A 990 222.954 101.744 42.651 0.00 0.00 C ATOM 21185 P U A 991 221.454 101.923 48.013 0.00 0.00 P ATOM 21186 O1P U A 991 222.465 101.688 49.063 0.00 0.00 O ATOM 21187 O2P U A 991 221.072 100.832 47.083 0.00 0.00 O ATOM 21188 O5* U A 991 220.108 102.440 48.747 0.00 0.00 O ATOM 21189 C5* U A 991 218.810 102.167 48.246 0.00 0.00 C ATOM 21190 C4* U A 991 218.375 103.170 47.174 0.00 0.00 C ATOM 21191 O4* U A 991 219.030 102.942 45.948 0.00 0.00 O ATOM 21192 C3* U A 991 216.898 103.025 46.848 0.00 0.00 C ATOM 21193 O3* U A 991 216.187 103.741 47.829 0.00 0.00 O ATOM 21194 C2* U A 991 216.825 103.576 45.415 0.00 0.00 C ATOM 21195 O2* U A 991 216.657 104.973 45.341 0.00 0.00 O ATOM 21196 C1* U A 991 218.206 103.305 44.851 0.00 0.00 C ATOM 21197 N1 U A 991 218.196 102.253 43.803 0.00 0.00 N ATOM 21198 C2 U A 991 217.619 102.558 42.564 0.00 0.00 C ATOM 21199 O2 U A 991 217.095 103.637 42.304 0.00 0.00 O ATOM 21200 N3 U A 991 217.650 101.573 41.601 0.00 0.00 N ATOM 21201 C4 U A 991 218.222 100.327 41.745 0.00 0.00 C ATOM 21202 O4 U A 991 218.177 99.521 40.822 0.00 0.00 O ATOM 21203 C5 U A 991 218.810 100.082 43.046 0.00 0.00 C ATOM 21204 C6 U A 991 218.781 101.025 44.020 0.00 0.00 C ATOM 21205 P U A 992 214.602 103.870 47.847 0.00 0.00 P ATOM 21206 O1P U A 992 214.100 102.775 48.688 0.00 0.00 O ATOM 21207 O2P U A 992 214.147 103.990 46.439 0.00 0.00 O ATOM 21208 O5* U A 992 214.450 105.308 48.564 0.00 0.00 O ATOM 21209 C5* U A 992 215.365 106.364 48.263 0.00 0.00 C ATOM 21210 C4* U A 992 214.702 107.660 47.791 0.00 0.00 C ATOM 21211 O4* U A 992 213.638 107.390 46.902 0.00 0.00 O ATOM 21212 C3* U A 992 214.140 108.479 48.942 0.00 0.00 C ATOM 21213 O3* U A 992 215.118 109.210 49.693 0.00 0.00 O ATOM 21214 C2* U A 992 212.914 109.184 48.349 0.00 0.00 C ATOM 21215 O2* U A 992 213.102 110.489 47.848 0.00 0.00 O ATOM 21216 C1* U A 992 212.613 108.349 47.105 0.00 0.00 C ATOM 21217 N1 U A 992 211.276 107.710 47.136 0.00 0.00 N ATOM 21218 C2 U A 992 210.179 108.484 46.740 0.00 0.00 C ATOM 21219 O2 U A 992 210.196 109.715 46.675 0.00 0.00 O ATOM 21220 N3 U A 992 209.049 107.796 46.351 0.00 0.00 N ATOM 21221 C4 U A 992 208.982 106.424 46.213 0.00 0.00 C ATOM 21222 O4 U A 992 208.070 105.909 45.590 0.00 0.00 O ATOM 21223 C5 U A 992 210.057 105.700 46.845 0.00 0.00 C ATOM 21224 C6 U A 992 211.154 106.348 47.300 0.00 0.00 C ATOM 21225 P G A 993 216.173 110.347 49.171 0.00 0.00 P ATOM 21226 O1P G A 993 217.279 110.287 50.154 0.00 0.00 O ATOM 21227 O2P G A 993 215.495 111.632 48.926 0.00 0.00 O ATOM 21228 O5* G A 993 216.873 109.834 47.810 0.00 0.00 O ATOM 21229 C5* G A 993 216.714 110.482 46.551 0.00 0.00 C ATOM 21230 C4* G A 993 217.184 109.518 45.448 0.00 0.00 C ATOM 21231 O4* G A 993 216.166 108.568 45.246 0.00 0.00 O ATOM 21232 C3* G A 993 217.297 110.069 44.029 0.00 0.00 C ATOM 21233 O3* G A 993 218.367 110.960 43.780 0.00 0.00 O ATOM 21234 C2* G A 993 217.124 108.831 43.110 0.00 0.00 C ATOM 21235 O2* G A 993 218.226 108.016 42.768 0.00 0.00 O ATOM 21236 C1* G A 993 216.377 107.893 44.038 0.00 0.00 C ATOM 21237 N9 G A 993 215.121 107.380 43.469 0.00 0.00 N ATOM 21238 C8 G A 993 214.938 106.142 42.921 0.00 0.00 C ATOM 21239 N7 G A 993 213.690 105.834 42.709 0.00 0.00 N ATOM 21240 C5 G A 993 212.997 106.993 43.078 0.00 0.00 C ATOM 21241 C6 G A 993 211.589 107.288 43.094 0.00 0.00 C ATOM 21242 O6 G A 993 210.644 106.567 42.798 0.00 0.00 O ATOM 21243 N1 G A 993 211.283 108.571 43.523 0.00 0.00 N ATOM 21244 C2 G A 993 212.237 109.492 43.848 0.00 0.00 C ATOM 21245 N2 G A 993 211.837 110.619 44.395 0.00 0.00 N ATOM 21246 N3 G A 993 213.551 109.252 43.855 0.00 0.00 N ATOM 21247 C4 G A 993 213.876 107.976 43.474 0.00 0.00 C ATOM 21248 P A A 994 219.920 110.588 43.905 0.00 0.00 P ATOM 21249 O1P A A 994 220.237 109.803 42.690 0.00 0.00 O ATOM 21250 O2P A A 994 220.196 110.024 45.240 0.00 0.00 O ATOM 21251 O5* A A 994 220.468 112.104 43.849 0.00 0.00 O ATOM 21252 C5* A A 994 221.748 112.527 43.410 0.00 0.00 C ATOM 21253 C4* A A 994 221.609 113.645 42.358 0.00 0.00 C ATOM 21254 O4* A A 994 221.529 113.113 41.041 0.00 0.00 O ATOM 21255 C3* A A 994 220.382 114.543 42.545 0.00 0.00 C ATOM 21256 O3* A A 994 220.588 115.535 43.540 0.00 0.00 O ATOM 21257 C2* A A 994 220.184 115.066 41.124 0.00 0.00 C ATOM 21258 O2* A A 994 221.100 116.084 40.747 0.00 0.00 O ATOM 21259 C1* A A 994 220.538 113.819 40.300 0.00 0.00 C ATOM 21260 N9 A A 994 219.400 112.892 40.070 0.00 0.00 N ATOM 21261 C8 A A 994 219.371 111.532 40.274 0.00 0.00 C ATOM 21262 N7 A A 994 218.237 110.957 39.975 0.00 0.00 N ATOM 21263 C5 A A 994 217.467 112.020 39.517 0.00 0.00 C ATOM 21264 C6 A A 994 216.163 112.106 39.000 0.00 0.00 C ATOM 21265 N6 A A 994 215.405 111.044 38.784 0.00 0.00 N ATOM 21266 N1 A A 994 215.665 113.283 38.613 0.00 0.00 N ATOM 21267 C2 A A 994 216.456 114.347 38.682 0.00 0.00 C ATOM 21268 N3 A A 994 217.716 114.409 39.105 0.00 0.00 N ATOM 21269 C4 A A 994 218.166 113.197 39.538 0.00 0.00 C ATOM 21270 P C A 995 219.351 116.227 44.294 0.00 0.00 P ATOM 21271 O1P C A 995 219.843 116.889 45.519 0.00 0.00 O ATOM 21272 O2P C A 995 218.252 115.245 44.384 0.00 0.00 O ATOM 21273 O5* C A 995 218.852 117.364 43.285 0.00 0.00 O ATOM 21274 C5* C A 995 217.642 118.039 43.558 0.00 0.00 C ATOM 21275 C4* C A 995 217.012 118.606 42.280 0.00 0.00 C ATOM 21276 O4* C A 995 216.912 117.576 41.291 0.00 0.00 O ATOM 21277 C3* C A 995 215.592 119.090 42.615 0.00 0.00 C ATOM 21278 O3* C A 995 215.366 120.489 42.864 0.00 0.00 O ATOM 21279 C2* C A 995 214.791 118.567 41.407 0.00 0.00 C ATOM 21280 O2* C A 995 214.797 119.478 40.312 0.00 0.00 O ATOM 21281 C1* C A 995 215.564 117.329 40.922 0.00 0.00 C ATOM 21282 N1 C A 995 215.088 115.968 41.371 0.00 0.00 N ATOM 21283 C2 C A 995 213.856 115.478 40.900 0.00 0.00 C ATOM 21284 O2 C A 995 213.103 116.210 40.265 0.00 0.00 O ATOM 21285 N3 C A 995 213.490 114.179 41.126 0.00 0.00 N ATOM 21286 C4 C A 995 214.333 113.363 41.744 0.00 0.00 C ATOM 21287 N4 C A 995 213.968 112.112 41.923 0.00 0.00 N ATOM 21288 C5 C A 995 215.607 113.794 42.203 0.00 0.00 C ATOM 21289 C6 C A 995 215.943 115.093 42.006 0.00 0.00 C ATOM 21290 P A A 996 216.435 121.566 43.506 0.00 0.00 P ATOM 21291 O1P A A 996 215.669 122.798 43.795 0.00 0.00 O ATOM 21292 O2P A A 996 217.576 121.650 42.574 0.00 0.00 O ATOM 21293 O5* A A 996 217.018 120.995 44.941 0.00 0.00 O ATOM 21294 C5* A A 996 216.565 121.374 46.266 0.00 0.00 C ATOM 21295 C4* A A 996 215.036 121.461 46.406 0.00 0.00 C ATOM 21296 O4* A A 996 214.598 120.476 45.512 0.00 0.00 O ATOM 21297 C3* A A 996 214.256 120.989 47.649 0.00 0.00 C ATOM 21298 O3* A A 996 214.151 121.785 48.820 0.00 0.00 O ATOM 21299 C2* A A 996 212.879 120.834 46.983 0.00 0.00 C ATOM 21300 O2* A A 996 212.250 122.079 46.697 0.00 0.00 O ATOM 21301 C1* A A 996 213.246 120.240 45.645 0.00 0.00 C ATOM 21302 N9 A A 996 213.141 118.783 45.562 0.00 0.00 N ATOM 21303 C8 A A 996 214.116 117.836 45.776 0.00 0.00 C ATOM 21304 N7 A A 996 213.808 116.647 45.346 0.00 0.00 N ATOM 21305 C5 A A 996 212.527 116.833 44.826 0.00 0.00 C ATOM 21306 C6 A A 996 211.607 116.000 44.168 0.00 0.00 C ATOM 21307 N6 A A 996 211.827 114.730 43.886 0.00 0.00 N ATOM 21308 N1 A A 996 210.444 116.491 43.745 0.00 0.00 N ATOM 21309 C2 A A 996 210.150 117.760 43.987 0.00 0.00 C ATOM 21310 N3 A A 996 210.914 118.663 44.592 0.00 0.00 N ATOM 21311 C4 A A 996 212.103 118.124 44.979 0.00 0.00 C ATOM 21312 P U A 997 213.515 121.133 50.163 0.00 0.00 P ATOM 21313 O1P U A 997 213.533 122.143 51.241 0.00 0.00 O ATOM 21314 O2P U A 997 214.190 119.833 50.354 0.00 0.00 O ATOM 21315 O5* U A 997 211.970 120.801 49.806 0.00 0.00 O ATOM 21316 C5* U A 997 211.002 121.819 49.607 0.00 0.00 C ATOM 21317 C4* U A 997 209.718 121.248 48.976 0.00 0.00 C ATOM 21318 O4* U A 997 209.946 120.520 47.767 0.00 0.00 O ATOM 21319 C3* U A 997 208.975 120.281 49.882 0.00 0.00 C ATOM 21320 O3* U A 997 208.295 120.945 50.926 0.00 0.00 O ATOM 21321 C2* U A 997 208.054 119.614 48.855 0.00 0.00 C ATOM 21322 O2* U A 997 206.981 120.434 48.416 0.00 0.00 O ATOM 21323 C1* U A 997 209.000 119.456 47.670 0.00 0.00 C ATOM 21324 N1 U A 997 209.588 118.084 47.659 0.00 0.00 N ATOM 21325 C2 U A 997 208.757 117.051 47.211 0.00 0.00 C ATOM 21326 O2 U A 997 207.569 117.207 46.943 0.00 0.00 O ATOM 21327 N3 U A 997 209.317 115.800 47.114 0.00 0.00 N ATOM 21328 C4 U A 997 210.598 115.451 47.451 0.00 0.00 C ATOM 21329 O4 U A 997 210.942 114.279 47.340 0.00 0.00 O ATOM 21330 C5 U A 997 211.391 116.553 47.960 0.00 0.00 C ATOM 21331 C6 U A 997 210.875 117.808 48.074 0.00 0.00 C ATOM 21332 P C A 998 207.779 120.143 52.213 0.00 0.00 P ATOM 21333 O1P C A 998 207.279 121.120 53.195 0.00 0.00 O ATOM 21334 O2P C A 998 208.819 119.159 52.587 0.00 0.00 O ATOM 21335 O5* C A 998 206.547 119.301 51.646 0.00 0.00 O ATOM 21336 C5* C A 998 205.303 119.856 51.275 0.00 0.00 C ATOM 21337 C4* C A 998 204.399 118.689 50.847 0.00 0.00 C ATOM 21338 O4* C A 998 204.981 117.924 49.786 0.00 0.00 O ATOM 21339 C3* C A 998 204.177 117.724 52.008 0.00 0.00 C ATOM 21340 O3* C A 998 203.137 118.133 52.879 0.00 0.00 O ATOM 21341 C2* C A 998 203.890 116.421 51.267 0.00 0.00 C ATOM 21342 O2* C A 998 202.549 116.276 50.819 0.00 0.00 O ATOM 21343 C1* C A 998 204.775 116.528 50.030 0.00 0.00 C ATOM 21344 N1 C A 998 206.039 115.751 50.231 0.00 0.00 N ATOM 21345 C2 C A 998 205.997 114.346 50.175 0.00 0.00 C ATOM 21346 O2 C A 998 204.928 113.751 50.036 0.00 0.00 O ATOM 21347 N3 C A 998 207.149 113.624 50.295 0.00 0.00 N ATOM 21348 C4 C A 998 208.308 114.268 50.405 0.00 0.00 C ATOM 21349 N4 C A 998 209.405 113.549 50.476 0.00 0.00 N ATOM 21350 C5 C A 998 208.390 115.683 50.546 0.00 0.00 C ATOM 21351 C6 C A 998 207.231 116.380 50.491 0.00 0.00 C ATOM 21352 P C A 999 203.257 117.917 54.467 0.00 0.00 P ATOM 21353 O1P C A 999 202.018 118.420 55.095 0.00 0.00 O ATOM 21354 O2P C A 999 204.575 118.423 54.893 0.00 0.00 O ATOM 21355 O5* C A 999 203.282 116.315 54.598 0.00 0.00 O ATOM 21356 C5* C A 999 202.120 115.539 54.381 0.00 0.00 C ATOM 21357 C4* C A 999 202.487 114.065 54.159 0.00 0.00 C ATOM 21358 O4* C A 999 203.445 113.957 53.122 0.00 0.00 O ATOM 21359 C3* C A 999 203.106 113.364 55.356 0.00 0.00 C ATOM 21360 O3* C A 999 202.111 112.895 56.245 0.00 0.00 O ATOM 21361 C2* C A 999 203.912 112.251 54.665 0.00 0.00 C ATOM 21362 O2* C A 999 203.174 111.127 54.214 0.00 0.00 O ATOM 21363 C1* C A 999 204.405 112.956 53.406 0.00 0.00 C ATOM 21364 N1 C A 999 205.815 113.434 53.583 0.00 0.00 N ATOM 21365 C2 C A 999 206.857 112.487 53.580 0.00 0.00 C ATOM 21366 O2 C A 999 206.624 111.272 53.534 0.00 0.00 O ATOM 21367 N3 C A 999 208.156 112.890 53.598 0.00 0.00 N ATOM 21368 C4 C A 999 208.423 114.191 53.651 0.00 0.00 C ATOM 21369 N4 C A 999 209.682 114.559 53.596 0.00 0.00 N ATOM 21370 C5 C A 999 207.406 115.185 53.715 0.00 0.00 C ATOM 21371 C6 C A 999 206.118 114.769 53.693 0.00 0.00 C ATOM 21372 P A A1000 202.400 112.753 57.815 0.00 0.00 P ATOM 21373 O1P A A1000 201.141 112.352 58.473 0.00 0.00 O ATOM 21374 O2P A A1000 203.134 113.956 58.254 0.00 0.00 O ATOM 21375 O5* A A1000 203.427 111.516 57.832 0.00 0.00 O ATOM 21376 C5* A A1000 202.986 110.188 57.635 0.00 0.00 C ATOM 21377 C4* A A1000 204.186 109.259 57.420 0.00 0.00 C ATOM 21378 O4* A A1000 205.000 109.733 56.349 0.00 0.00 O ATOM 21379 C3* A A1000 205.070 109.105 58.657 0.00 0.00 C ATOM 21380 O3* A A1000 204.636 108.028 59.465 0.00 0.00 O ATOM 21381 C2* A A1000 206.437 108.833 58.023 0.00 0.00 C ATOM 21382 O2* A A1000 206.646 107.498 57.581 0.00 0.00 O ATOM 21383 C1* A A1000 206.366 109.650 56.741 0.00 0.00 C ATOM 21384 N9 A A1000 207.029 110.966 56.885 0.00 0.00 N ATOM 21385 C8 A A1000 206.520 112.223 57.115 0.00 0.00 C ATOM 21386 N7 A A1000 207.405 113.178 57.014 0.00 0.00 N ATOM 21387 C5 A A1000 208.593 112.496 56.747 0.00 0.00 C ATOM 21388 C6 A A1000 209.940 112.879 56.560 0.00 0.00 C ATOM 21389 N6 A A1000 210.359 114.130 56.668 0.00 0.00 N ATOM 21390 N1 A A1000 210.896 111.953 56.378 0.00 0.00 N ATOM 21391 C2 A A1000 210.530 110.675 56.410 0.00 0.00 C ATOM 21392 N3 A A1000 209.312 110.173 56.571 0.00 0.00 N ATOM 21393 C4 A A1000 208.377 111.148 56.722 0.00 0.00 C ATOM 21394 P C A1001 204.335 108.202 61.031 0.00 0.00 P ATOM 21395 O1P C A1001 203.874 106.889 61.528 0.00 0.00 O ATOM 21396 O2P C A1001 203.502 109.403 61.230 0.00 0.00 O ATOM 21397 O5* C A1001 205.816 108.498 61.608 0.00 0.00 O ATOM 21398 C5* C A1001 206.292 107.870 62.790 0.00 0.00 C ATOM 21399 C4* C A1001 207.802 107.588 62.743 0.00 0.00 C ATOM 21400 O4* C A1001 208.369 107.662 61.433 0.00 0.00 O ATOM 21401 C3* C A1001 208.640 108.534 63.593 0.00 0.00 C ATOM 21402 O3* C A1001 208.521 108.293 64.986 0.00 0.00 O ATOM 21403 C2* C A1001 210.025 108.194 63.038 0.00 0.00 C ATOM 21404 O2* C A1001 210.550 106.970 63.534 0.00 0.00 O ATOM 21405 C1* C A1001 209.756 107.973 61.550 0.00 0.00 C ATOM 21406 N1 C A1001 210.156 109.182 60.776 0.00 0.00 N ATOM 21407 C2 C A1001 211.520 109.398 60.512 0.00 0.00 C ATOM 21408 O2 C A1001 212.362 108.547 60.788 0.00 0.00 O ATOM 21409 N3 C A1001 211.934 110.568 59.953 0.00 0.00 N ATOM 21410 C4 C A1001 211.015 111.475 59.654 0.00 0.00 C ATOM 21411 N4 C A1001 211.454 112.628 59.227 0.00 0.00 N ATOM 21412 C5 C A1001 209.618 111.289 59.848 0.00 0.00 C ATOM 21413 C6 C A1001 209.228 110.131 60.427 0.00 0.00 C ATOM 21414 P G A1002 208.914 109.416 66.067 0.00 0.00 P ATOM 21415 O1P G A1002 208.650 108.865 67.411 0.00 0.00 O ATOM 21416 O2P G A1002 208.263 110.671 65.640 0.00 0.00 O ATOM 21417 O5* G A1002 210.502 109.623 65.902 0.00 0.00 O ATOM 21418 C5* G A1002 211.460 108.671 66.318 0.00 0.00 C ATOM 21419 C4* G A1002 212.837 109.035 65.734 0.00 0.00 C ATOM 21420 O4* G A1002 212.748 109.149 64.316 0.00 0.00 O ATOM 21421 C3* G A1002 213.444 110.338 66.268 0.00 0.00 C ATOM 21422 O3* G A1002 214.186 110.105 67.466 0.00 0.00 O ATOM 21423 C2* G A1002 214.299 110.767 65.064 0.00 0.00 C ATOM 21424 O2* G A1002 215.537 110.077 64.931 0.00 0.00 O ATOM 21425 C1* G A1002 213.443 110.310 63.886 0.00 0.00 C ATOM 21426 N9 G A1002 212.561 111.407 63.398 0.00 0.00 N ATOM 21427 C8 G A1002 211.231 111.682 63.629 0.00 0.00 C ATOM 21428 N7 G A1002 210.787 112.740 63.007 0.00 0.00 N ATOM 21429 C5 G A1002 211.898 113.226 62.321 0.00 0.00 C ATOM 21430 C6 G A1002 212.049 114.338 61.418 0.00 0.00 C ATOM 21431 O6 G A1002 211.212 115.146 61.024 0.00 0.00 O ATOM 21432 N1 G A1002 213.306 114.404 60.837 0.00 0.00 N ATOM 21433 C2 G A1002 214.321 113.552 61.170 0.00 0.00 C ATOM 21434 N2 G A1002 215.501 113.769 60.654 0.00 0.00 N ATOM 21435 N3 G A1002 214.220 112.514 61.992 0.00 0.00 N ATOM 21436 C4 G A1002 212.977 112.397 62.538 0.00 0.00 C ATOM 21437 P G A1003 214.146 111.103 68.739 0.00 0.00 P ATOM 21438 O1P G A1003 214.349 110.291 69.956 0.00 0.00 O ATOM 21439 O2P G A1003 212.955 111.965 68.616 0.00 0.00 O ATOM 21440 O5* G A1003 215.438 112.049 68.558 0.00 0.00 O ATOM 21441 C5* G A1003 216.714 111.719 69.076 0.00 0.00 C ATOM 21442 C4* G A1003 217.810 112.459 68.296 0.00 0.00 C ATOM 21443 O4* G A1003 217.669 112.103 66.919 0.00 0.00 O ATOM 21444 C3* G A1003 217.802 113.995 68.386 0.00 0.00 C ATOM 21445 O3* G A1003 218.533 114.566 69.472 0.00 0.00 O ATOM 21446 C2* G A1003 218.446 114.330 67.031 0.00 0.00 C ATOM 21447 O2* G A1003 219.867 114.204 67.015 0.00 0.00 O ATOM 21448 C1* G A1003 217.856 113.260 66.128 0.00 0.00 C ATOM 21449 N9 G A1003 216.605 113.780 65.523 0.00 0.00 N ATOM 21450 C8 G A1003 215.325 113.888 66.020 0.00 0.00 C ATOM 21451 N7 G A1003 214.496 114.499 65.221 0.00 0.00 N ATOM 21452 C5 G A1003 215.304 114.942 64.176 0.00 0.00 C ATOM 21453 C6 G A1003 215.041 115.818 63.067 0.00 0.00 C ATOM 21454 O6 G A1003 214.014 116.403 62.739 0.00 0.00 O ATOM 21455 N1 G A1003 216.153 116.019 62.270 0.00 0.00 N ATOM 21456 C2 G A1003 217.368 115.434 62.478 0.00 0.00 C ATOM 21457 N2 G A1003 218.312 115.693 61.605 0.00 0.00 N ATOM 21458 N3 G A1003 217.659 114.655 63.516 0.00 0.00 N ATOM 21459 C4 G A1003 216.584 114.457 64.334 0.00 0.00 C ATOM 21460 P A A1004 218.375 116.134 69.874 0.00 0.00 P ATOM 21461 O1P A A1004 219.716 116.675 70.183 0.00 0.00 O ATOM 21462 O2P A A1004 217.290 116.258 70.865 0.00 0.00 O ATOM 21463 O5* A A1004 217.859 116.797 68.498 0.00 0.00 O ATOM 21464 C5* A A1004 218.344 118.009 67.948 0.00 0.00 C ATOM 21465 C4* A A1004 218.317 117.878 66.433 0.00 0.00 C ATOM 21466 O4* A A1004 216.987 117.638 66.007 0.00 0.00 O ATOM 21467 C3* A A1004 218.781 119.128 65.713 0.00 0.00 C ATOM 21468 O3* A A1004 220.197 119.167 65.748 0.00 0.00 O ATOM 21469 C2* A A1004 218.088 118.897 64.361 0.00 0.00 C ATOM 21470 O2* A A1004 218.713 117.926 63.567 0.00 0.00 O ATOM 21471 C1* A A1004 216.788 118.214 64.732 0.00 0.00 C ATOM 21472 N9 A A1004 215.585 119.073 64.728 0.00 0.00 N ATOM 21473 C8 A A1004 215.394 120.321 64.191 0.00 0.00 C ATOM 21474 N7 A A1004 214.156 120.742 64.223 0.00 0.00 N ATOM 21475 C5 A A1004 213.463 119.656 64.751 0.00 0.00 C ATOM 21476 C6 A A1004 212.101 119.362 64.994 0.00 0.00 C ATOM 21477 N6 A A1004 211.078 120.172 64.793 0.00 0.00 N ATOM 21478 N1 A A1004 211.732 118.187 65.500 0.00 0.00 N ATOM 21479 C2 A A1004 212.683 117.306 65.779 0.00 0.00 C ATOM 21480 N3 A A1004 213.992 117.459 65.640 0.00 0.00 N ATOM 21481 C4 A A1004 214.328 118.654 65.092 0.00 0.00 C ATOM 21482 P A A1005 221.049 120.107 64.781 0.00 0.00 P ATOM 21483 O1P A A1005 220.741 119.619 63.415 0.00 0.00 O ATOM 21484 O2P A A1005 222.428 120.142 65.297 0.00 0.00 O ATOM 21485 O5* A A1005 220.412 121.562 65.045 0.00 0.00 O ATOM 21486 C5* A A1005 219.882 122.377 64.012 0.00 0.00 C ATOM 21487 C4* A A1005 220.437 123.802 64.131 0.00 0.00 C ATOM 21488 O4* A A1005 220.155 124.333 65.423 0.00 0.00 O ATOM 21489 C3* A A1005 221.950 123.924 63.914 0.00 0.00 C ATOM 21490 O3* A A1005 222.292 124.012 62.536 0.00 0.00 O ATOM 21491 C2* A A1005 222.211 125.246 64.660 0.00 0.00 C ATOM 21492 O2* A A1005 221.890 126.405 63.894 0.00 0.00 O ATOM 21493 C1* A A1005 221.201 125.209 65.804 0.00 0.00 C ATOM 21494 N9 A A1005 221.787 124.784 67.096 0.00 0.00 N ATOM 21495 C8 A A1005 222.277 123.558 67.485 0.00 0.00 C ATOM 21496 N7 A A1005 222.652 123.506 68.738 0.00 0.00 N ATOM 21497 C5 A A1005 222.401 124.798 69.207 0.00 0.00 C ATOM 21498 C6 A A1005 222.532 125.444 70.459 0.00 0.00 C ATOM 21499 N6 A A1005 222.994 124.878 71.566 0.00 0.00 N ATOM 21500 N1 A A1005 222.163 126.718 70.611 0.00 0.00 N ATOM 21501 C2 A A1005 221.689 127.356 69.546 0.00 0.00 C ATOM 21502 N3 A A1005 221.522 126.893 68.310 0.00 0.00 N ATOM 21503 C4 A A1005 221.887 125.584 68.210 0.00 0.00 C ATOM 21504 P G A1006 223.594 123.301 61.903 0.00 0.00 P ATOM 21505 O1P G A1006 223.881 123.955 60.611 0.00 0.00 O ATOM 21506 O2P G A1006 223.398 121.842 61.952 0.00 0.00 O ATOM 21507 O5* G A1006 224.785 123.694 62.909 0.00 0.00 O ATOM 21508 C5* G A1006 225.272 125.022 62.980 0.00 0.00 C ATOM 21509 C4* G A1006 226.056 125.231 64.280 0.00 0.00 C ATOM 21510 O4* G A1006 225.341 124.664 65.362 0.00 0.00 O ATOM 21511 C3* G A1006 227.442 124.596 64.284 0.00 0.00 C ATOM 21512 O3* G A1006 228.421 125.487 63.797 0.00 0.00 O ATOM 21513 C2* G A1006 227.634 124.245 65.760 0.00 0.00 C ATOM 21514 O2* G A1006 227.972 125.336 66.606 0.00 0.00 O ATOM 21515 C1* G A1006 226.216 123.870 66.122 0.00 0.00 C ATOM 21516 N9 G A1006 225.962 122.417 65.988 0.00 0.00 N ATOM 21517 C8 G A1006 225.948 121.534 64.933 0.00 0.00 C ATOM 21518 N7 G A1006 225.699 120.298 65.289 0.00 0.00 N ATOM 21519 C5 G A1006 225.461 120.376 66.665 0.00 0.00 C ATOM 21520 C6 G A1006 225.027 119.427 67.661 0.00 0.00 C ATOM 21521 O6 G A1006 224.770 118.233 67.546 0.00 0.00 O ATOM 21522 N1 G A1006 224.861 119.992 68.927 0.00 0.00 N ATOM 21523 C2 G A1006 225.218 121.293 69.199 0.00 0.00 C ATOM 21524 N2 G A1006 225.107 121.875 70.358 0.00 0.00 N ATOM 21525 N3 G A1006 225.661 122.164 68.329 0.00 0.00 N ATOM 21526 C4 G A1006 225.709 121.658 67.080 0.00 0.00 C ATOM 21527 P U A1007 229.842 124.944 63.307 0.00 0.00 P ATOM 21528 O1P U A1007 230.595 126.086 62.754 0.00 0.00 O ATOM 21529 O2P U A1007 229.593 123.740 62.489 0.00 0.00 O ATOM 21530 O5* U A1007 230.547 124.471 64.670 0.00 0.00 O ATOM 21531 C5* U A1007 231.114 125.386 65.589 0.00 0.00 C ATOM 21532 C4* U A1007 231.753 124.619 66.756 0.00 0.00 C ATOM 21533 O4* U A1007 230.795 123.823 67.460 0.00 0.00 O ATOM 21534 C3* U A1007 232.851 123.658 66.303 0.00 0.00 C ATOM 21535 O3* U A1007 234.087 124.297 66.036 0.00 0.00 O ATOM 21536 C2* U A1007 232.896 122.709 67.502 0.00 0.00 C ATOM 21537 O2* U A1007 233.556 123.249 68.638 0.00 0.00 O ATOM 21538 C1* U A1007 231.419 122.602 67.873 0.00 0.00 C ATOM 21539 N1 U A1007 230.784 121.393 67.266 0.00 0.00 N ATOM 21540 C2 U A1007 230.885 120.172 67.948 0.00 0.00 C ATOM 21541 O2 U A1007 231.587 120.014 68.942 0.00 0.00 O ATOM 21542 N3 U A1007 230.143 119.110 67.460 0.00 0.00 N ATOM 21543 C4 U A1007 229.326 119.149 66.351 0.00 0.00 C ATOM 21544 O4 U A1007 228.710 118.146 66.024 0.00 0.00 O ATOM 21545 C5 U A1007 229.335 120.416 65.650 0.00 0.00 C ATOM 21546 C6 U A1007 230.062 121.472 66.096 0.00 0.00 C ATOM 21547 P U A1008 235.228 123.556 65.181 0.00 0.00 P ATOM 21548 O1P U A1008 236.344 124.504 64.978 0.00 0.00 O ATOM 21549 O2P U A1008 234.582 122.902 64.026 0.00 0.00 O ATOM 21550 O5* U A1008 235.722 122.389 66.170 0.00 0.00 O ATOM 21551 C5* U A1008 236.609 122.650 67.241 0.00 0.00 C ATOM 21552 C4* U A1008 236.881 121.357 68.018 0.00 0.00 C ATOM 21553 O4* U A1008 235.660 120.792 68.495 0.00 0.00 O ATOM 21554 C3* U A1008 237.564 120.281 67.177 0.00 0.00 C ATOM 21555 O3* U A1008 238.964 120.479 67.059 0.00 0.00 O ATOM 21556 C2* U A1008 237.173 119.027 67.965 0.00 0.00 C ATOM 21557 O2* U A1008 237.986 118.787 69.096 0.00 0.00 O ATOM 21558 C1* U A1008 235.791 119.371 68.509 0.00 0.00 C ATOM 21559 N1 U A1008 234.728 118.680 67.730 0.00 0.00 N ATOM 21560 C2 U A1008 234.319 117.413 68.162 0.00 0.00 C ATOM 21561 O2 U A1008 234.817 116.825 69.118 0.00 0.00 O ATOM 21562 N3 U A1008 233.313 116.805 67.442 0.00 0.00 N ATOM 21563 C4 U A1008 232.692 117.313 66.328 0.00 0.00 C ATOM 21564 O4 U A1008 231.816 116.653 65.781 0.00 0.00 O ATOM 21565 C5 U A1008 233.189 118.609 65.912 0.00 0.00 C ATOM 21566 C6 U A1008 234.181 119.239 66.594 0.00 0.00 C ATOM 21567 P U A1009 239.845 119.569 66.071 0.00 0.00 P ATOM 21568 O1P U A1009 241.212 120.120 65.991 0.00 0.00 O ATOM 21569 O2P U A1009 239.057 119.330 64.843 0.00 0.00 O ATOM 21570 O5* U A1009 239.906 118.183 66.887 0.00 0.00 O ATOM 21571 C5* U A1009 240.177 116.973 66.205 0.00 0.00 C ATOM 21572 C4* U A1009 240.008 115.780 67.145 0.00 0.00 C ATOM 21573 O4* U A1009 238.671 115.693 67.630 0.00 0.00 O ATOM 21574 C3* U A1009 240.293 114.477 66.406 0.00 0.00 C ATOM 21575 O3* U A1009 241.677 114.179 66.403 0.00 0.00 O ATOM 21576 C2* U A1009 239.427 113.492 67.190 0.00 0.00 C ATOM 21577 O2* U A1009 240.008 113.084 68.421 0.00 0.00 O ATOM 21578 C1* U A1009 238.201 114.353 67.529 0.00 0.00 C ATOM 21579 N1 U A1009 237.084 114.238 66.541 0.00 0.00 N ATOM 21580 C2 U A1009 236.409 113.014 66.459 0.00 0.00 C ATOM 21581 O2 U A1009 236.744 112.002 67.068 0.00 0.00 O ATOM 21582 N3 U A1009 235.310 112.964 65.630 0.00 0.00 N ATOM 21583 C4 U A1009 234.875 113.969 64.796 0.00 0.00 C ATOM 21584 O4 U A1009 234.004 113.723 63.968 0.00 0.00 O ATOM 21585 C5 U A1009 235.579 115.219 64.964 0.00 0.00 C ATOM 21586 C6 U A1009 236.640 115.323 65.808 0.00 0.00 C ATOM 21587 P U A1010 242.356 113.360 65.205 0.00 0.00 P ATOM 21588 O1P U A1010 243.812 113.312 65.445 0.00 0.00 O ATOM 21589 O2P U A1010 241.818 113.899 63.938 0.00 0.00 O ATOM 21590 O5* U A1010 241.745 111.892 65.410 0.00 0.00 O ATOM 21591 C5* U A1010 242.116 111.076 66.504 0.00 0.00 C ATOM 21592 C4* U A1010 241.299 109.777 66.500 0.00 0.00 C ATOM 21593 O4* U A1010 239.893 110.032 66.527 0.00 0.00 O ATOM 21594 C3* U A1010 241.558 108.915 65.271 0.00 0.00 C ATOM 21595 O3* U A1010 242.744 108.151 65.388 0.00 0.00 O ATOM 21596 C2* U A1010 240.284 108.066 65.258 0.00 0.00 C ATOM 21597 O2* U A1010 240.282 107.030 66.233 0.00 0.00 O ATOM 21598 C1* U A1010 239.228 109.086 65.687 0.00 0.00 C ATOM 21599 N1 U A1010 238.559 109.719 64.509 0.00 0.00 N ATOM 21600 C2 U A1010 237.594 108.971 63.819 0.00 0.00 C ATOM 21601 O2 U A1010 237.283 107.826 64.129 0.00 0.00 O ATOM 21602 N3 U A1010 236.962 109.590 62.753 0.00 0.00 N ATOM 21603 C4 U A1010 237.145 110.895 62.353 0.00 0.00 C ATOM 21604 O4 U A1010 236.449 111.372 61.464 0.00 0.00 O ATOM 21605 C5 U A1010 238.163 111.600 63.095 0.00 0.00 C ATOM 21606 C6 U A1010 238.833 111.014 64.122 0.00 0.00 C ATOM 21607 P C A1011 243.465 107.554 64.088 0.00 0.00 P ATOM 21608 O1P C A1011 244.689 106.853 64.523 0.00 0.00 O ATOM 21609 O2P C A1011 243.534 108.638 63.089 0.00 0.00 O ATOM 21610 O5* C A1011 242.408 106.468 63.552 0.00 0.00 O ATOM 21611 C5* C A1011 242.251 105.193 64.143 0.00 0.00 C ATOM 21612 C4* C A1011 241.290 104.338 63.299 0.00 0.00 C ATOM 21613 O4* C A1011 239.976 104.895 63.187 0.00 0.00 O ATOM 21614 C3* C A1011 241.787 104.171 61.868 0.00 0.00 C ATOM 21615 O3* C A1011 242.835 103.227 61.764 0.00 0.00 O ATOM 21616 C2* C A1011 240.491 103.760 61.164 0.00 0.00 C ATOM 21617 O2* C A1011 240.101 102.416 61.425 0.00 0.00 O ATOM 21618 C1* C A1011 239.477 104.674 61.860 0.00 0.00 C ATOM 21619 N1 C A1011 239.258 105.966 61.128 0.00 0.00 N ATOM 21620 C2 C A1011 238.343 106.021 60.060 0.00 0.00 C ATOM 21621 O2 C A1011 237.871 104.998 59.561 0.00 0.00 O ATOM 21622 N3 C A1011 237.953 107.224 59.549 0.00 0.00 N ATOM 21623 C4 C A1011 238.508 108.334 60.026 0.00 0.00 C ATOM 21624 N4 C A1011 238.060 109.485 59.576 0.00 0.00 N ATOM 21625 C5 C A1011 239.511 108.325 61.035 0.00 0.00 C ATOM 21626 C6 C A1011 239.867 107.125 61.548 0.00 0.00 C ATOM 21627 P A A1012 243.958 103.389 60.632 0.00 0.00 P ATOM 21628 O1P A A1012 244.902 102.258 60.753 0.00 0.00 O ATOM 21629 O2P A A1012 244.441 104.783 60.659 0.00 0.00 O ATOM 21630 O5* A A1012 243.083 103.197 59.303 0.00 0.00 O ATOM 21631 C5* A A1012 242.675 101.913 58.883 0.00 0.00 C ATOM 21632 C4* A A1012 241.842 102.015 57.606 0.00 0.00 C ATOM 21633 O4* A A1012 240.638 102.734 57.852 0.00 0.00 O ATOM 21634 C3* A A1012 242.548 102.752 56.470 0.00 0.00 C ATOM 21635 O3* A A1012 243.514 101.989 55.772 0.00 0.00 O ATOM 21636 C2* A A1012 241.340 103.116 55.607 0.00 0.00 C ATOM 21637 O2* A A1012 240.797 102.025 54.871 0.00 0.00 O ATOM 21638 C1* A A1012 240.330 103.490 56.689 0.00 0.00 C ATOM 21639 N9 A A1012 240.377 104.944 56.947 0.00 0.00 N ATOM 21640 C8 A A1012 241.027 105.670 57.918 0.00 0.00 C ATOM 21641 N7 A A1012 240.741 106.946 57.900 0.00 0.00 N ATOM 21642 C5 A A1012 239.886 107.076 56.799 0.00 0.00 C ATOM 21643 C6 A A1012 239.188 108.140 56.180 0.00 0.00 C ATOM 21644 N6 A A1012 239.196 109.392 56.593 0.00 0.00 N ATOM 21645 N1 A A1012 238.432 107.925 55.093 0.00 0.00 N ATOM 21646 C2 A A1012 238.372 106.691 54.614 0.00 0.00 C ATOM 21647 N3 A A1012 238.948 105.597 55.093 0.00 0.00 N ATOM 21648 C4 A A1012 239.696 105.864 56.198 0.00 0.00 C ATOM 21649 P G A1013 244.759 102.714 55.058 0.00 0.00 P ATOM 21650 O1P G A1013 245.522 101.692 54.310 0.00 0.00 O ATOM 21651 O2P G A1013 245.428 103.560 56.065 0.00 0.00 O ATOM 21652 O5* G A1013 244.061 103.706 54.003 0.00 0.00 O ATOM 21653 C5* G A1013 243.533 103.233 52.780 0.00 0.00 C ATOM 21654 C4* G A1013 243.019 104.400 51.939 0.00 0.00 C ATOM 21655 O4* G A1013 241.941 105.060 52.606 0.00 0.00 O ATOM 21656 C3* G A1013 244.072 105.466 51.593 0.00 0.00 C ATOM 21657 O3* G A1013 244.937 105.094 50.511 0.00 0.00 O ATOM 21658 C2* G A1013 243.092 106.586 51.224 0.00 0.00 C ATOM 21659 O2* G A1013 242.511 106.326 49.960 0.00 0.00 O ATOM 21660 C1* G A1013 241.949 106.429 52.229 0.00 0.00 C ATOM 21661 N9 G A1013 242.110 107.304 53.413 0.00 0.00 N ATOM 21662 C8 G A1013 242.796 107.073 54.576 0.00 0.00 C ATOM 21663 N7 G A1013 242.796 108.081 55.405 0.00 0.00 N ATOM 21664 C5 G A1013 242.060 109.070 54.745 0.00 0.00 C ATOM 21665 C6 G A1013 241.701 110.415 55.124 0.00 0.00 C ATOM 21666 O6 G A1013 241.923 111.019 56.171 0.00 0.00 O ATOM 21667 N1 G A1013 240.973 111.085 54.153 0.00 0.00 N ATOM 21668 C2 G A1013 240.576 110.487 52.993 0.00 0.00 C ATOM 21669 N2 G A1013 239.937 111.219 52.129 0.00 0.00 N ATOM 21670 N3 G A1013 240.815 109.222 52.638 0.00 0.00 N ATOM 21671 C4 G A1013 241.600 108.575 53.544 0.00 0.00 C ATOM 21672 P A A1014 246.307 105.890 50.157 0.00 0.00 P ATOM 21673 O1P A A1014 246.725 105.542 48.768 0.00 0.00 O ATOM 21674 O2P A A1014 247.260 105.734 51.272 0.00 0.00 O ATOM 21675 O5* A A1014 245.849 107.431 50.101 0.00 0.00 O ATOM 21676 C5* A A1014 246.779 108.470 49.855 0.00 0.00 C ATOM 21677 C4* A A1014 246.365 109.332 48.652 0.00 0.00 C ATOM 21678 O4* A A1014 246.325 108.578 47.443 0.00 0.00 O ATOM 21679 C3* A A1014 245.010 110.017 48.803 0.00 0.00 C ATOM 21680 O3* A A1014 245.153 111.246 49.494 0.00 0.00 O ATOM 21681 C2* A A1014 244.614 110.205 47.332 0.00 0.00 C ATOM 21682 O2* A A1014 245.258 111.285 46.670 0.00 0.00 O ATOM 21683 C1* A A1014 245.191 108.964 46.676 0.00 0.00 C ATOM 21684 N9 A A1014 244.227 107.842 46.546 0.00 0.00 N ATOM 21685 C8 A A1014 244.014 106.776 47.388 0.00 0.00 C ATOM 21686 N7 A A1014 243.320 105.809 46.853 0.00 0.00 N ATOM 21687 C5 A A1014 242.942 106.314 45.612 0.00 0.00 C ATOM 21688 C6 A A1014 242.118 105.848 44.557 0.00 0.00 C ATOM 21689 N6 A A1014 241.412 104.727 44.580 0.00 0.00 N ATOM 21690 N1 A A1014 241.980 106.573 43.440 0.00 0.00 N ATOM 21691 C2 A A1014 242.609 107.740 43.378 0.00 0.00 C ATOM 21692 N3 A A1014 243.400 108.305 44.286 0.00 0.00 N ATOM 21693 C4 A A1014 243.507 107.545 45.409 0.00 0.00 C ATOM 21694 P G A1015 244.527 111.507 50.953 0.00 0.00 P ATOM 21695 O1P G A1015 245.469 112.351 51.715 0.00 0.00 O ATOM 21696 O2P G A1015 244.041 110.227 51.508 0.00 0.00 O ATOM 21697 O5* G A1015 243.251 112.392 50.561 0.00 0.00 O ATOM 21698 C5* G A1015 243.399 113.635 49.900 0.00 0.00 C ATOM 21699 C4* G A1015 242.418 113.701 48.726 0.00 0.00 C ATOM 21700 O4* G A1015 242.624 112.618 47.818 0.00 0.00 O ATOM 21701 C3* G A1015 240.965 113.621 49.178 0.00 0.00 C ATOM 21702 O3* G A1015 240.464 114.871 49.621 0.00 0.00 O ATOM 21703 C2* G A1015 240.312 113.104 47.897 0.00 0.00 C ATOM 21704 O2* G A1015 240.150 114.090 46.890 0.00 0.00 O ATOM 21705 C1* G A1015 241.361 112.141 47.365 0.00 0.00 C ATOM 21706 N9 G A1015 241.103 110.733 47.772 0.00 0.00 N ATOM 21707 C8 G A1015 241.546 110.036 48.873 0.00 0.00 C ATOM 21708 N7 G A1015 241.342 108.744 48.810 0.00 0.00 N ATOM 21709 C5 G A1015 240.640 108.577 47.611 0.00 0.00 C ATOM 21710 C6 G A1015 240.095 107.403 46.980 0.00 0.00 C ATOM 21711 O6 G A1015 240.141 106.233 47.342 0.00 0.00 O ATOM 21712 N1 G A1015 239.421 107.660 45.796 0.00 0.00 N ATOM 21713 C2 G A1015 239.287 108.917 45.274 0.00 0.00 C ATOM 21714 N2 G A1015 238.603 109.043 44.155 0.00 0.00 N ATOM 21715 N3 G A1015 239.801 110.026 45.815 0.00 0.00 N ATOM 21716 C4 G A1015 240.463 109.795 46.990 0.00 0.00 C ATOM 21717 P A A1016 239.220 114.951 50.630 0.00 0.00 P ATOM 21718 O1P A A1016 239.017 116.364 51.007 0.00 0.00 O ATOM 21719 O2P A A1016 239.417 113.904 51.667 0.00 0.00 O ATOM 21720 O5* A A1016 237.990 114.481 49.709 0.00 0.00 O ATOM 21721 C5* A A1016 237.433 115.259 48.668 0.00 0.00 C ATOM 21722 C4* A A1016 236.527 114.354 47.812 0.00 0.00 C ATOM 21723 O4* A A1016 237.284 113.274 47.256 0.00 0.00 O ATOM 21724 C3* A A1016 235.383 113.729 48.609 0.00 0.00 C ATOM 21725 O3* A A1016 234.190 114.491 48.633 0.00 0.00 O ATOM 21726 C2* A A1016 235.180 112.405 47.877 0.00 0.00 C ATOM 21727 O2* A A1016 234.356 112.475 46.712 0.00 0.00 O ATOM 21728 C1* A A1016 236.580 112.042 47.413 0.00 0.00 C ATOM 21729 N9 A A1016 237.178 111.086 48.382 0.00 0.00 N ATOM 21730 C8 A A1016 237.839 111.326 49.563 0.00 0.00 C ATOM 21731 N7 A A1016 238.271 110.251 50.155 0.00 0.00 N ATOM 21732 C5 A A1016 237.790 109.216 49.371 0.00 0.00 C ATOM 21733 C6 A A1016 237.857 107.808 49.464 0.00 0.00 C ATOM 21734 N6 A A1016 238.550 107.155 50.384 0.00 0.00 N ATOM 21735 N1 A A1016 237.219 107.050 48.570 0.00 0.00 N ATOM 21736 C2 A A1016 236.559 107.660 47.594 0.00 0.00 C ATOM 21737 N3 A A1016 236.448 108.968 47.359 0.00 0.00 N ATOM 21738 C4 A A1016 237.092 109.709 48.303 0.00 0.00 C ATOM 21739 P U A1017 233.190 114.410 49.892 0.00 0.00 P ATOM 21740 O1P U A1017 231.938 115.098 49.519 0.00 0.00 O ATOM 21741 O2P U A1017 233.953 114.835 51.082 0.00 0.00 O ATOM 21742 O5* U A1017 232.881 112.835 50.065 0.00 0.00 O ATOM 21743 C5* U A1017 232.058 112.091 49.188 0.00 0.00 C ATOM 21744 C4* U A1017 232.241 110.576 49.434 0.00 0.00 C ATOM 21745 O4* U A1017 233.603 110.148 49.400 0.00 0.00 O ATOM 21746 C3* U A1017 231.699 110.094 50.767 0.00 0.00 C ATOM 21747 O3* U A1017 230.304 109.866 50.676 0.00 0.00 O ATOM 21748 C2* U A1017 232.539 108.823 50.966 0.00 0.00 C ATOM 21749 O2* U A1017 232.137 107.742 50.136 0.00 0.00 O ATOM 21750 C1* U A1017 233.906 109.220 50.432 0.00 0.00 C ATOM 21751 N1 U A1017 234.852 109.716 51.489 0.00 0.00 N ATOM 21752 C2 U A1017 235.595 108.762 52.206 0.00 0.00 C ATOM 21753 O2 U A1017 235.486 107.552 52.023 0.00 0.00 O ATOM 21754 N3 U A1017 236.493 109.232 53.154 0.00 0.00 N ATOM 21755 C4 U A1017 236.725 110.553 53.460 0.00 0.00 C ATOM 21756 O4 U A1017 237.537 110.845 54.333 0.00 0.00 O ATOM 21757 C5 U A1017 235.938 111.481 52.674 0.00 0.00 C ATOM 21758 C6 U A1017 235.048 111.059 51.736 0.00 0.00 C ATOM 21759 P G A1018 229.394 109.753 51.988 0.00 0.00 P ATOM 21760 O1P G A1018 227.998 109.526 51.559 0.00 0.00 O ATOM 21761 O2P G A1018 229.738 110.887 52.869 0.00 0.00 O ATOM 21762 O5* G A1018 229.959 108.411 52.661 0.00 0.00 O ATOM 21763 C5* G A1018 229.664 107.134 52.126 0.00 0.00 C ATOM 21764 C4* G A1018 230.511 106.075 52.836 0.00 0.00 C ATOM 21765 O4* G A1018 231.903 106.354 52.718 0.00 0.00 O ATOM 21766 C3* G A1018 230.203 105.999 54.325 0.00 0.00 C ATOM 21767 O3* G A1018 229.041 105.232 54.577 0.00 0.00 O ATOM 21768 C2* G A1018 231.500 105.386 54.855 0.00 0.00 C ATOM 21769 O2* G A1018 231.618 103.988 54.628 0.00 0.00 O ATOM 21770 C1* G A1018 232.534 106.072 53.961 0.00 0.00 C ATOM 21771 N9 G A1018 233.120 107.268 54.622 0.00 0.00 N ATOM 21772 C8 G A1018 232.761 108.594 54.616 0.00 0.00 C ATOM 21773 N7 G A1018 233.548 109.362 55.327 0.00 0.00 N ATOM 21774 C5 G A1018 234.459 108.476 55.914 0.00 0.00 C ATOM 21775 C6 G A1018 235.527 108.649 56.875 0.00 0.00 C ATOM 21776 O6 G A1018 235.968 109.662 57.416 0.00 0.00 O ATOM 21777 N1 G A1018 236.110 107.451 57.258 0.00 0.00 N ATOM 21778 C2 G A1018 235.783 106.244 56.715 0.00 0.00 C ATOM 21779 N2 G A1018 236.421 105.172 57.108 0.00 0.00 N ATOM 21780 N3 G A1018 234.843 106.052 55.802 0.00 0.00 N ATOM 21781 C4 G A1018 234.198 107.200 55.463 0.00 0.00 C ATOM 21782 P A A1019 228.173 105.470 55.901 0.00 0.00 P ATOM 21783 O1P A A1019 226.989 104.589 55.836 0.00 0.00 O ATOM 21784 O2P A A1019 228.019 106.926 56.088 0.00 0.00 O ATOM 21785 O5* A A1019 229.157 104.939 57.051 0.00 0.00 O ATOM 21786 C5* A A1019 229.347 103.558 57.280 0.00 0.00 C ATOM 21787 C4* A A1019 230.406 103.362 58.367 0.00 0.00 C ATOM 21788 O4* A A1019 231.638 103.968 57.975 0.00 0.00 O ATOM 21789 C3* A A1019 230.010 103.978 59.708 0.00 0.00 C ATOM 21790 O3* A A1019 229.133 103.171 60.480 0.00 0.00 O ATOM 21791 C2* A A1019 231.397 104.138 60.330 0.00 0.00 C ATOM 21792 O2* A A1019 231.951 102.925 60.828 0.00 0.00 O ATOM 21793 C1* A A1019 232.246 104.538 59.128 0.00 0.00 C ATOM 21794 N9 A A1019 232.364 106.012 59.041 0.00 0.00 N ATOM 21795 C8 A A1019 231.569 106.934 58.403 0.00 0.00 C ATOM 21796 N7 A A1019 231.982 108.167 58.529 0.00 0.00 N ATOM 21797 C5 A A1019 233.107 108.057 59.351 0.00 0.00 C ATOM 21798 C6 A A1019 234.024 108.971 59.926 0.00 0.00 C ATOM 21799 N6 A A1019 233.994 110.281 59.757 0.00 0.00 N ATOM 21800 N1 A A1019 235.014 108.538 60.720 0.00 0.00 N ATOM 21801 C2 A A1019 235.107 107.232 60.933 0.00 0.00 C ATOM 21802 N3 A A1019 234.333 106.262 60.463 0.00 0.00 N ATOM 21803 C4 A A1019 233.338 106.747 59.670 0.00 0.00 C ATOM 21804 P G A1020 228.229 103.817 61.644 0.00 0.00 P ATOM 21805 O1P G A1020 227.491 102.732 62.323 0.00 0.00 O ATOM 21806 O2P G A1020 227.506 104.969 61.072 0.00 0.00 O ATOM 21807 O5* G A1020 229.313 104.410 62.668 0.00 0.00 O ATOM 21808 C5* G A1020 230.059 103.580 63.536 0.00 0.00 C ATOM 21809 C4* G A1020 231.120 104.426 64.246 0.00 0.00 C ATOM 21810 O4* G A1020 231.939 105.107 63.301 0.00 0.00 O ATOM 21811 C3* G A1020 230.517 105.485 65.160 0.00 0.00 C ATOM 21812 O3* G A1020 230.154 104.947 66.419 0.00 0.00 O ATOM 21813 C2* G A1020 231.659 106.502 65.189 0.00 0.00 C ATOM 21814 O2* G A1020 232.768 106.136 65.997 0.00 0.00 O ATOM 21815 C1* G A1020 232.176 106.428 63.760 0.00 0.00 C ATOM 21816 N9 G A1020 231.568 107.502 62.936 0.00 0.00 N ATOM 21817 C8 G A1020 230.414 107.557 62.191 0.00 0.00 C ATOM 21818 N7 G A1020 230.172 108.738 61.678 0.00 0.00 N ATOM 21819 C5 G A1020 231.225 109.538 62.128 0.00 0.00 C ATOM 21820 C6 G A1020 231.535 110.940 61.957 0.00 0.00 C ATOM 21821 O6 G A1020 230.946 111.810 61.321 0.00 0.00 O ATOM 21822 N1 G A1020 232.674 111.335 62.642 0.00 0.00 N ATOM 21823 C2 G A1020 233.434 110.466 63.367 0.00 0.00 C ATOM 21824 N2 G A1020 234.535 110.905 63.899 0.00 0.00 N ATOM 21825 N3 G A1020 233.207 109.173 63.526 0.00 0.00 N ATOM 21826 C4 G A1020 232.075 108.772 62.894 0.00 0.00 C ATOM 21827 P A A1021 229.312 105.807 67.481 0.00 0.00 P ATOM 21828 O1P A A1021 228.751 104.875 68.481 0.00 0.00 O ATOM 21829 O2P A A1021 228.435 106.733 66.734 0.00 0.00 O ATOM 21830 O5* A A1021 230.490 106.667 68.163 0.00 0.00 O ATOM 21831 C5* A A1021 231.393 106.060 69.068 0.00 0.00 C ATOM 21832 C4* A A1021 232.398 107.080 69.608 0.00 0.00 C ATOM 21833 O4* A A1021 233.132 107.697 68.553 0.00 0.00 O ATOM 21834 C3* A A1021 231.737 108.203 70.399 0.00 0.00 C ATOM 21835 O3* A A1021 231.403 107.842 71.726 0.00 0.00 O ATOM 21836 C2* A A1021 232.848 109.253 70.334 0.00 0.00 C ATOM 21837 O2* A A1021 233.925 109.019 71.236 0.00 0.00 O ATOM 21838 C1* A A1021 233.375 109.054 68.916 0.00 0.00 C ATOM 21839 N9 A A1021 232.672 109.973 67.996 0.00 0.00 N ATOM 21840 C8 A A1021 231.673 109.698 67.097 0.00 0.00 C ATOM 21841 N7 A A1021 231.274 110.731 66.407 0.00 0.00 N ATOM 21842 C5 A A1021 232.010 111.783 66.954 0.00 0.00 C ATOM 21843 C6 A A1021 232.031 113.178 66.750 0.00 0.00 C ATOM 21844 N6 A A1021 231.315 113.791 65.824 0.00 0.00 N ATOM 21845 N1 A A1021 232.810 113.963 67.511 0.00 0.00 N ATOM 21846 C2 A A1021 233.581 113.381 68.424 0.00 0.00 C ATOM 21847 N3 A A1021 233.688 112.087 68.699 0.00 0.00 N ATOM 21848 C4 A A1021 232.855 111.333 67.931 0.00 0.00 C ATOM 21849 P A A1022 230.125 108.480 72.461 0.00 0.00 P ATOM 21850 O1P A A1022 230.175 108.097 73.886 0.00 0.00 O ATOM 21851 O2P A A1022 228.939 108.162 71.645 0.00 0.00 O ATOM 21852 O5* A A1022 230.375 110.064 72.332 0.00 0.00 O ATOM 21853 C5* A A1022 231.423 110.728 73.008 0.00 0.00 C ATOM 21854 C4* A A1022 231.581 112.152 72.448 0.00 0.00 C ATOM 21855 O4* A A1022 231.600 112.198 71.023 0.00 0.00 O ATOM 21856 C3* A A1022 230.457 113.072 72.886 0.00 0.00 C ATOM 21857 O3* A A1022 230.761 113.616 74.154 0.00 0.00 O ATOM 21858 C2* A A1022 230.445 114.104 71.752 0.00 0.00 C ATOM 21859 O2* A A1022 231.480 115.079 71.852 0.00 0.00 O ATOM 21860 C1* A A1022 230.787 113.249 70.533 0.00 0.00 C ATOM 21861 N9 A A1022 229.592 112.735 69.816 0.00 0.00 N ATOM 21862 C8 A A1022 229.120 111.446 69.695 0.00 0.00 C ATOM 21863 N7 A A1022 228.056 111.334 68.943 0.00 0.00 N ATOM 21864 C5 A A1022 227.804 112.646 68.535 0.00 0.00 C ATOM 21865 C6 A A1022 226.822 113.265 67.726 0.00 0.00 C ATOM 21866 N6 A A1022 225.812 112.648 67.134 0.00 0.00 N ATOM 21867 N1 A A1022 226.867 114.575 67.483 0.00 0.00 N ATOM 21868 C2 A A1022 227.857 115.280 68.021 0.00 0.00 C ATOM 21869 N3 A A1022 228.842 114.839 68.807 0.00 0.00 N ATOM 21870 C4 A A1022 228.752 113.498 69.037 0.00 0.00 C ATOM 21871 P U A1023 229.647 113.744 75.291 0.00 0.00 P ATOM 21872 O1P U A1023 229.826 112.621 76.234 0.00 0.00 O ATOM 21873 O2P U A1023 228.348 113.959 74.623 0.00 0.00 O ATOM 21874 O5* U A1023 230.117 115.107 76.013 0.00 0.00 O ATOM 21875 C5* U A1023 229.388 116.314 75.891 0.00 0.00 C ATOM 21876 C4* U A1023 230.333 117.498 75.653 0.00 0.00 C ATOM 21877 O4* U A1023 230.992 117.400 74.385 0.00 0.00 O ATOM 21878 C3* U A1023 229.558 118.806 75.569 0.00 0.00 C ATOM 21879 O3* U A1023 229.258 119.468 76.782 0.00 0.00 O ATOM 21880 C2* U A1023 230.489 119.668 74.727 0.00 0.00 C ATOM 21881 O2* U A1023 231.644 120.135 75.414 0.00 0.00 O ATOM 21882 C1* U A1023 230.934 118.646 73.681 0.00 0.00 C ATOM 21883 N1 U A1023 230.008 118.598 72.503 0.00 0.00 N ATOM 21884 C2 U A1023 229.830 119.755 71.723 0.00 0.00 C ATOM 21885 O2 U A1023 230.395 120.821 71.948 0.00 0.00 O ATOM 21886 N3 U A1023 228.965 119.670 70.646 0.00 0.00 N ATOM 21887 C4 U A1023 228.345 118.520 70.218 0.00 0.00 C ATOM 21888 O4 U A1023 227.647 118.553 69.220 0.00 0.00 O ATOM 21889 C5 U A1023 228.609 117.356 71.031 0.00 0.00 C ATOM 21890 C6 U A1023 229.389 117.424 72.138 0.00 0.00 C ATOM 21891 P G A1024 227.769 119.492 77.372 0.00 0.00 P ATOM 21892 O1P G A1024 227.650 120.671 78.254 0.00 0.00 O ATOM 21893 O2P G A1024 227.452 118.142 77.874 0.00 0.00 O ATOM 21894 O5* G A1024 226.905 119.750 76.039 0.00 0.00 O ATOM 21895 C5* G A1024 226.916 120.990 75.355 0.00 0.00 C ATOM 21896 C4* G A1024 226.010 120.901 74.119 0.00 0.00 C ATOM 21897 O4* G A1024 226.531 120.017 73.130 0.00 0.00 O ATOM 21898 C3* G A1024 224.628 120.363 74.468 0.00 0.00 C ATOM 21899 O3* G A1024 223.806 121.362 75.042 0.00 0.00 O ATOM 21900 C2* G A1024 224.144 119.857 73.108 0.00 0.00 C ATOM 21901 O2* G A1024 223.535 120.863 72.327 0.00 0.00 O ATOM 21902 C1* G A1024 225.443 119.432 72.416 0.00 0.00 C ATOM 21903 N9 G A1024 225.539 117.961 72.367 0.00 0.00 N ATOM 21904 C8 G A1024 226.283 117.135 73.165 0.00 0.00 C ATOM 21905 N7 G A1024 226.219 115.880 72.823 0.00 0.00 N ATOM 21906 C5 G A1024 225.324 115.855 71.752 0.00 0.00 C ATOM 21907 C6 G A1024 224.810 114.762 70.968 0.00 0.00 C ATOM 21908 O6 G A1024 225.077 113.567 71.019 0.00 0.00 O ATOM 21909 N1 G A1024 223.862 115.144 70.034 0.00 0.00 N ATOM 21910 C2 G A1024 223.484 116.445 69.837 0.00 0.00 C ATOM 21911 N2 G A1024 222.515 116.649 68.969 0.00 0.00 N ATOM 21912 N3 G A1024 223.977 117.496 70.516 0.00 0.00 N ATOM 21913 C4 G A1024 224.888 117.133 71.474 0.00 0.00 C ATOM 21914 P U A1025 222.613 120.960 76.035 0.00 0.00 P ATOM 21915 O1P U A1025 222.055 122.208 76.593 0.00 0.00 O ATOM 21916 O2P U A1025 223.078 119.882 76.929 0.00 0.00 O ATOM 21917 O5* U A1025 221.565 120.317 74.992 0.00 0.00 O ATOM 21918 C5* U A1025 220.257 120.833 74.834 0.00 0.00 C ATOM 21919 C4* U A1025 220.274 122.146 74.049 0.00 0.00 C ATOM 21920 O4* U A1025 220.626 121.909 72.686 0.00 0.00 O ATOM 21921 C3* U A1025 218.897 122.791 73.988 0.00 0.00 C ATOM 21922 O3* U A1025 218.486 123.445 75.177 0.00 0.00 O ATOM 21923 C2* U A1025 219.116 123.737 72.805 0.00 0.00 C ATOM 21924 O2* U A1025 219.842 124.918 73.113 0.00 0.00 O ATOM 21925 C1* U A1025 220.034 122.930 71.887 0.00 0.00 C ATOM 21926 N1 U A1025 219.258 122.426 70.723 0.00 0.00 N ATOM 21927 C2 U A1025 219.003 123.319 69.673 0.00 0.00 C ATOM 21928 O2 U A1025 219.385 124.486 69.683 0.00 0.00 O ATOM 21929 N3 U A1025 218.243 122.857 68.615 0.00 0.00 N ATOM 21930 C4 U A1025 217.595 121.643 68.581 0.00 0.00 C ATOM 21931 O4 U A1025 216.895 121.373 67.611 0.00 0.00 O ATOM 21932 C5 U A1025 217.823 120.810 69.753 0.00 0.00 C ATOM 21933 C6 U A1025 218.650 121.196 70.755 0.00 0.00 C ATOM 21934 P G A1026 217.056 123.128 75.839 0.00 0.00 P ATOM 21935 O1P G A1026 217.255 122.033 76.811 0.00 0.00 O ATOM 21936 O2P G A1026 216.093 122.939 74.728 0.00 0.00 O ATOM 21937 O5* G A1026 216.622 124.459 76.663 0.00 0.00 O ATOM 21938 C5* G A1026 215.810 125.481 76.093 0.00 0.00 C ATOM 21939 C4* G A1026 216.617 126.590 75.402 0.00 0.00 C ATOM 21940 O4* G A1026 217.412 126.084 74.341 0.00 0.00 O ATOM 21941 C3* G A1026 215.697 127.589 74.711 0.00 0.00 C ATOM 21942 O3* G A1026 215.129 128.572 75.547 0.00 0.00 O ATOM 21943 C2* G A1026 216.622 128.204 73.658 0.00 0.00 C ATOM 21944 O2* G A1026 217.527 129.171 74.179 0.00 0.00 O ATOM 21945 C1* G A1026 217.428 126.984 73.242 0.00 0.00 C ATOM 21946 N9 G A1026 216.823 126.323 72.062 0.00 0.00 N ATOM 21947 C8 G A1026 216.086 125.165 72.036 0.00 0.00 C ATOM 21948 N7 G A1026 215.745 124.774 70.842 0.00 0.00 N ATOM 21949 C5 G A1026 216.246 125.775 70.010 0.00 0.00 C ATOM 21950 C6 G A1026 216.155 125.942 68.589 0.00 0.00 C ATOM 21951 O6 G A1026 215.598 125.230 67.770 0.00 0.00 O ATOM 21952 N1 G A1026 216.782 127.079 68.109 0.00 0.00 N ATOM 21953 C2 G A1026 217.430 127.966 68.925 0.00 0.00 C ATOM 21954 N2 G A1026 217.948 129.040 68.359 0.00 0.00 N ATOM 21955 N3 G A1026 217.530 127.851 70.257 0.00 0.00 N ATOM 21956 C4 G A1026 216.915 126.728 70.746 0.00 0.00 C ATOM 21957 P C A1027 213.569 128.917 75.434 0.00 0.00 P ATOM 21958 O1P C A1027 213.361 130.239 76.060 0.00 0.00 O ATOM 21959 O2P C A1027 212.838 127.729 75.922 0.00 0.00 O ATOM 21960 O5* C A1027 213.344 129.024 73.831 0.00 0.00 O ATOM 21961 C5* C A1027 213.761 130.154 73.077 0.00 0.00 C ATOM 21962 C4* C A1027 213.374 129.999 71.594 0.00 0.00 C ATOM 21963 O4* C A1027 213.891 128.795 71.017 0.00 0.00 O ATOM 21964 C3* C A1027 211.863 129.985 71.359 0.00 0.00 C ATOM 21965 O3* C A1027 211.274 131.274 71.252 0.00 0.00 O ATOM 21966 C2* C A1027 211.786 129.239 70.028 0.00 0.00 C ATOM 21967 O2* C A1027 212.097 130.028 68.886 0.00 0.00 O ATOM 21968 C1* C A1027 212.915 128.211 70.147 0.00 0.00 C ATOM 21969 N1 C A1027 212.454 126.868 70.617 0.00 0.00 N ATOM 21970 C2 C A1027 211.550 126.124 69.834 0.00 0.00 C ATOM 21971 O2 C A1027 210.929 126.616 68.886 0.00 0.00 O ATOM 21972 N3 C A1027 211.292 124.831 70.152 0.00 0.00 N ATOM 21973 C4 C A1027 211.895 124.280 71.197 0.00 0.00 C ATOM 21974 N4 C A1027 211.531 123.064 71.517 0.00 0.00 N ATOM 21975 C5 C A1027 212.737 125.011 72.073 0.00 0.00 C ATOM 21976 C6 C A1027 212.990 126.301 71.751 0.00 0.00 C ATOM 21977 P C A1028 210.405 131.921 72.440 0.00 0.00 P ATOM 21978 O1P C A1028 210.520 133.391 72.336 0.00 0.00 O ATOM 21979 O2P C A1028 210.751 131.234 73.695 0.00 0.00 O ATOM 21980 O5* C A1028 208.900 131.497 72.055 0.00 0.00 O ATOM 21981 C5* C A1028 208.068 132.346 71.285 0.00 0.00 C ATOM 21982 C4* C A1028 206.843 131.595 70.742 0.00 0.00 C ATOM 21983 O4* C A1028 207.271 130.530 69.887 0.00 0.00 O ATOM 21984 C3* C A1028 205.919 130.982 71.800 0.00 0.00 C ATOM 21985 O3* C A1028 204.904 131.864 72.261 0.00 0.00 O ATOM 21986 C2* C A1028 205.315 129.829 70.989 0.00 0.00 C ATOM 21987 O2* C A1028 204.246 130.236 70.157 0.00 0.00 O ATOM 21988 C1* C A1028 206.418 129.398 70.043 0.00 0.00 C ATOM 21989 N1 C A1028 207.108 128.189 70.579 0.00 0.00 N ATOM 21990 C2 C A1028 206.490 126.929 70.455 0.00 0.00 C ATOM 21991 O2 C A1028 205.406 126.782 69.888 0.00 0.00 O ATOM 21992 N3 C A1028 207.090 125.821 70.970 0.00 0.00 N ATOM 21993 C4 C A1028 208.264 125.952 71.578 0.00 0.00 C ATOM 21994 N4 C A1028 208.840 124.853 71.997 0.00 0.00 N ATOM 21995 C5 C A1028 208.922 127.206 71.743 0.00 0.00 C ATOM 21996 C6 C A1028 208.308 128.300 71.236 0.00 0.00 C ATOM 21997 P U A1029 204.000 131.508 73.549 0.00 0.00 P ATOM 21998 O1P U A1029 202.947 132.536 73.661 0.00 0.00 O ATOM 21999 O2P U A1029 204.905 131.233 74.682 0.00 0.00 O ATOM 22000 O5* U A1029 203.298 130.117 73.137 0.00 0.00 O ATOM 22001 C5* U A1029 202.061 130.059 72.450 0.00 0.00 C ATOM 22002 C4* U A1029 201.639 128.598 72.266 0.00 0.00 C ATOM 22003 O4* U A1029 202.658 127.717 71.778 0.00 0.00 O ATOM 22004 C3* U A1029 201.188 127.989 73.584 0.00 0.00 C ATOM 22005 O3* U A1029 199.926 128.487 73.998 0.00 0.00 O ATOM 22006 C2* U A1029 201.164 126.525 73.163 0.00 0.00 C ATOM 22007 O2* U A1029 200.072 126.319 72.278 0.00 0.00 O ATOM 22008 C1* U A1029 202.468 126.419 72.361 0.00 0.00 C ATOM 22009 N1 U A1029 203.638 125.996 73.200 0.00 0.00 N ATOM 22010 C2 U A1029 203.832 124.627 73.451 0.00 0.00 C ATOM 22011 O2 U A1029 203.018 123.760 73.133 0.00 0.00 O ATOM 22012 N3 U A1029 205.006 124.260 74.094 0.00 0.00 N ATOM 22013 C4 U A1029 205.964 125.127 74.572 0.00 0.00 C ATOM 22014 O4 U A1029 206.940 124.697 75.171 0.00 0.00 O ATOM 22015 C5 U A1029 205.672 126.525 74.331 0.00 0.00 C ATOM 22016 C6 U A1029 204.548 126.917 73.676 0.00 0.00 C ATOM 22017 P U A1030 199.578 128.690 75.553 0.00 0.00 P ATOM 22018 O1P U A1030 199.215 130.110 75.727 0.00 0.00 O ATOM 22019 O2P U A1030 200.692 128.113 76.350 0.00 0.00 O ATOM 22020 O5* U A1030 198.228 127.819 75.773 0.00 0.00 O ATOM 22021 C5* U A1030 198.105 126.446 75.423 0.00 0.00 C ATOM 22022 C4* U A1030 196.665 126.153 74.958 0.00 0.00 C ATOM 22023 O4* U A1030 196.367 127.095 73.939 0.00 0.00 O ATOM 22024 C3* U A1030 196.489 124.743 74.354 0.00 0.00 C ATOM 22025 O3* U A1030 195.797 123.799 75.174 0.00 0.00 O ATOM 22026 C2* U A1030 195.699 125.004 73.045 0.00 0.00 C ATOM 22027 O2* U A1030 194.377 124.475 73.038 0.00 0.00 O ATOM 22028 C1* U A1030 195.564 126.526 72.932 0.00 0.00 C ATOM 22029 N1 U A1030 195.938 127.080 71.595 0.00 0.00 N ATOM 22030 C2 U A1030 194.953 127.155 70.602 0.00 0.00 C ATOM 22031 O2 U A1030 193.830 126.678 70.745 0.00 0.00 O ATOM 22032 N3 U A1030 195.289 127.797 69.418 0.00 0.00 N ATOM 22033 C4 U A1030 196.525 128.341 69.131 0.00 0.00 C ATOM 22034 O4 U A1030 196.714 128.888 68.053 0.00 0.00 O ATOM 22035 C5 U A1030 197.503 128.200 70.189 0.00 0.00 C ATOM 22036 C6 U A1030 197.195 127.595 71.364 0.00 0.00 C ATOM 22037 P C A1031 196.308 123.262 76.608 0.00 0.00 P ATOM 22038 O1P C A1031 195.283 122.342 77.138 0.00 0.00 O ATOM 22039 O2P C A1031 196.730 124.421 77.417 0.00 0.00 O ATOM 22040 O5* C A1031 197.621 122.382 76.319 0.00 0.00 O ATOM 22041 C5* C A1031 197.566 121.113 75.687 0.00 0.00 C ATOM 22042 C4* C A1031 198.917 120.384 75.806 0.00 0.00 C ATOM 22043 O4* C A1031 199.925 121.309 75.420 0.00 0.00 O ATOM 22044 C3* C A1031 199.277 119.880 77.217 0.00 0.00 C ATOM 22045 O3* C A1031 200.073 118.701 77.133 0.00 0.00 O ATOM 22046 C2* C A1031 200.134 121.038 77.735 0.00 0.00 C ATOM 22047 O2* C A1031 201.025 120.711 78.794 0.00 0.00 O ATOM 22048 C1* C A1031 200.876 121.413 76.458 0.00 0.00 C ATOM 22049 N1 C A1031 201.437 122.786 76.508 0.00 0.00 N ATOM 22050 C2 C A1031 202.822 122.966 76.437 0.00 0.00 C ATOM 22051 O2 C A1031 203.574 122.024 76.206 0.00 0.00 O ATOM 22052 N3 C A1031 203.346 124.208 76.597 0.00 0.00 N ATOM 22053 C4 C A1031 202.539 125.236 76.770 0.00 0.00 C ATOM 22054 N4 C A1031 203.101 126.414 76.787 0.00 0.00 N ATOM 22055 C5 C A1031 201.122 125.102 76.829 0.00 0.00 C ATOM 22056 C6 C A1031 200.608 123.863 76.684 0.00 0.00 C ATOM 22057 P G A1032 199.485 117.228 77.430 0.00 0.00 P ATOM 22058 O1P G A1032 198.265 117.361 78.256 0.00 0.00 O ATOM 22059 O2P G A1032 200.597 116.372 77.891 0.00 0.00 O ATOM 22060 O5* G A1032 199.043 116.726 75.970 0.00 0.00 O ATOM 22061 C5* G A1032 199.980 116.574 74.912 0.00 0.00 C ATOM 22062 C4* G A1032 199.197 116.393 73.607 0.00 0.00 C ATOM 22063 O4* G A1032 198.286 117.479 73.512 0.00 0.00 O ATOM 22064 C3* G A1032 200.035 116.458 72.325 0.00 0.00 C ATOM 22065 O3* G A1032 200.620 115.218 71.945 0.00 0.00 O ATOM 22066 C2* G A1032 198.964 116.925 71.315 0.00 0.00 C ATOM 22067 O2* G A1032 198.168 115.868 70.789 0.00 0.00 O ATOM 22068 C1* G A1032 198.009 117.764 72.161 0.00 0.00 C ATOM 22069 N9 G A1032 198.111 119.231 71.931 0.00 0.00 N ATOM 22070 C8 G A1032 197.139 120.058 71.429 0.00 0.00 C ATOM 22071 N7 G A1032 197.461 121.321 71.405 0.00 0.00 N ATOM 22072 C5 G A1032 198.762 121.351 71.914 0.00 0.00 C ATOM 22073 C6 G A1032 199.666 122.452 72.156 0.00 0.00 C ATOM 22074 O6 G A1032 199.510 123.668 72.003 0.00 0.00 O ATOM 22075 N1 G A1032 200.894 122.038 72.636 0.00 0.00 N ATOM 22076 C2 G A1032 201.202 120.744 72.935 0.00 0.00 C ATOM 22077 N2 G A1032 202.356 120.524 73.523 0.00 0.00 N ATOM 22078 N3 G A1032 200.392 119.709 72.726 0.00 0.00 N ATOM 22079 C4 G A1032 199.177 120.067 72.212 0.00 0.00 C ATOM 22080 P G A1033 202.178 115.093 71.541 0.00 0.00 P ATOM 22081 O1P G A1033 202.397 113.759 70.946 0.00 0.00 O ATOM 22082 O2P G A1033 202.979 115.533 72.701 0.00 0.00 O ATOM 22083 O5* G A1033 202.383 116.195 70.390 0.00 0.00 O ATOM 22084 C5* G A1033 201.616 116.205 69.201 0.00 0.00 C ATOM 22085 C4* G A1033 201.449 117.658 68.731 0.00 0.00 C ATOM 22086 O4* G A1033 201.335 118.537 69.850 0.00 0.00 O ATOM 22087 C3* G A1033 202.591 118.200 67.882 0.00 0.00 C ATOM 22088 O3* G A1033 202.486 117.817 66.523 0.00 0.00 O ATOM 22089 C2* G A1033 202.401 119.703 68.107 0.00 0.00 C ATOM 22090 O2* G A1033 201.300 120.273 67.415 0.00 0.00 O ATOM 22091 C1* G A1033 202.034 119.735 69.583 0.00 0.00 C ATOM 22092 N9 G A1033 203.249 119.914 70.413 0.00 0.00 N ATOM 22093 C8 G A1033 203.963 119.047 71.203 0.00 0.00 C ATOM 22094 N7 G A1033 204.984 119.605 71.809 0.00 0.00 N ATOM 22095 C5 G A1033 204.958 120.938 71.378 0.00 0.00 C ATOM 22096 C6 G A1033 205.790 122.085 71.664 0.00 0.00 C ATOM 22097 O6 G A1033 206.756 122.195 72.415 0.00 0.00 O ATOM 22098 N1 G A1033 205.394 123.234 70.986 0.00 0.00 N ATOM 22099 C2 G A1033 204.285 123.283 70.185 0.00 0.00 C ATOM 22100 N2 G A1033 203.933 124.401 69.605 0.00 0.00 N ATOM 22101 N3 G A1033 203.487 122.262 69.926 0.00 0.00 N ATOM 22102 C4 G A1033 203.885 121.116 70.537 0.00 0.00 C ATOM 22103 P G A1034 203.731 117.978 65.523 0.00 0.00 P ATOM 22104 O1P G A1034 203.353 117.372 64.232 0.00 0.00 O ATOM 22105 O2P G A1034 204.937 117.518 66.238 0.00 0.00 O ATOM 22106 O5* G A1034 203.861 119.569 65.323 0.00 0.00 O ATOM 22107 C5* G A1034 202.964 120.298 64.503 0.00 0.00 C ATOM 22108 C4* G A1034 203.328 121.789 64.530 0.00 0.00 C ATOM 22109 O4* G A1034 203.408 122.255 65.878 0.00 0.00 O ATOM 22110 C3* G A1034 204.661 122.101 63.849 0.00 0.00 C ATOM 22111 O3* G A1034 204.524 122.318 62.454 0.00 0.00 O ATOM 22112 C2* G A1034 205.089 123.361 64.605 0.00 0.00 C ATOM 22113 O2* G A1034 204.489 124.562 64.153 0.00 0.00 O ATOM 22114 C1* G A1034 204.531 123.124 66.000 0.00 0.00 C ATOM 22115 N9 G A1034 205.588 122.600 66.896 0.00 0.00 N ATOM 22116 C8 G A1034 205.784 121.338 67.398 0.00 0.00 C ATOM 22117 N7 G A1034 206.763 121.256 68.258 0.00 0.00 N ATOM 22118 C5 G A1034 207.315 122.538 68.273 0.00 0.00 C ATOM 22119 C6 G A1034 208.445 123.089 68.979 0.00 0.00 C ATOM 22120 O6 G A1034 209.161 122.582 69.844 0.00 0.00 O ATOM 22121 N1 G A1034 208.732 124.389 68.600 0.00 0.00 N ATOM 22122 C2 G A1034 207.954 125.124 67.750 0.00 0.00 C ATOM 22123 N2 G A1034 208.328 126.354 67.488 0.00 0.00 N ATOM 22124 N3 G A1034 206.869 124.666 67.130 0.00 0.00 N ATOM 22125 C4 G A1034 206.611 123.356 67.416 0.00 0.00 C ATOM 22126 P A A1035 205.803 122.324 61.484 0.00 0.00 P ATOM 22127 O1P A A1035 205.320 122.530 60.105 0.00 0.00 O ATOM 22128 O2P A A1035 206.633 121.152 61.822 0.00 0.00 O ATOM 22129 O5* A A1035 206.617 123.639 61.939 0.00 0.00 O ATOM 22130 C5* A A1035 206.305 124.924 61.433 0.00 0.00 C ATOM 22131 C4* A A1035 207.323 125.955 61.939 0.00 0.00 C ATOM 22132 O4* A A1035 207.483 125.920 63.357 0.00 0.00 O ATOM 22133 C3* A A1035 208.713 125.732 61.356 0.00 0.00 C ATOM 22134 O3* A A1035 208.827 126.174 60.019 0.00 0.00 O ATOM 22135 C2* A A1035 209.555 126.531 62.353 0.00 0.00 C ATOM 22136 O2* A A1035 209.453 127.941 62.207 0.00 0.00 O ATOM 22137 C1* A A1035 208.856 126.174 63.664 0.00 0.00 C ATOM 22138 N9 A A1035 209.498 124.997 64.296 0.00 0.00 N ATOM 22139 C8 A A1035 209.157 123.669 64.217 0.00 0.00 C ATOM 22140 N7 A A1035 209.926 122.876 64.913 0.00 0.00 N ATOM 22141 C5 A A1035 210.853 123.746 65.494 0.00 0.00 C ATOM 22142 C6 A A1035 211.964 123.588 66.358 0.00 0.00 C ATOM 22143 N6 A A1035 212.408 122.441 66.849 0.00 0.00 N ATOM 22144 N1 A A1035 212.668 124.649 66.750 0.00 0.00 N ATOM 22145 C2 A A1035 212.320 125.840 66.286 0.00 0.00 C ATOM 22146 N3 A A1035 211.316 126.148 65.467 0.00 0.00 N ATOM 22147 C4 A A1035 210.607 125.039 65.110 0.00 0.00 C ATOM 22148 P A A1036 210.018 125.647 59.082 0.00 0.00 P ATOM 22149 O1P A A1036 209.763 126.142 57.713 0.00 0.00 O ATOM 22150 O2P A A1036 210.216 124.204 59.346 0.00 0.00 O ATOM 22151 O5* A A1036 211.301 126.405 59.680 0.00 0.00 O ATOM 22152 C5* A A1036 211.551 127.772 59.413 0.00 0.00 C ATOM 22153 C4* A A1036 212.880 128.183 60.056 0.00 0.00 C ATOM 22154 O4* A A1036 212.859 127.922 61.459 0.00 0.00 O ATOM 22155 C3* A A1036 214.072 127.413 59.496 0.00 0.00 C ATOM 22156 O3* A A1036 214.575 127.932 58.276 0.00 0.00 O ATOM 22157 C2* A A1036 215.073 127.577 60.644 0.00 0.00 C ATOM 22158 O2* A A1036 215.736 128.836 60.647 0.00 0.00 O ATOM 22159 C1* A A1036 214.173 127.562 61.878 0.00 0.00 C ATOM 22160 N9 A A1036 214.209 126.247 62.561 0.00 0.00 N ATOM 22161 C8 A A1036 213.267 125.249 62.581 0.00 0.00 C ATOM 22162 N7 A A1036 213.542 124.275 63.407 0.00 0.00 N ATOM 22163 C5 A A1036 214.786 124.631 63.939 0.00 0.00 C ATOM 22164 C6 A A1036 215.678 124.059 64.882 0.00 0.00 C ATOM 22165 N6 A A1036 215.454 122.949 65.556 0.00 0.00 N ATOM 22166 N1 A A1036 216.875 124.610 65.108 0.00 0.00 N ATOM 22167 C2 A A1036 217.167 125.738 64.481 0.00 0.00 C ATOM 22168 N3 A A1036 216.408 126.429 63.634 0.00 0.00 N ATOM 22169 C4 A A1036 215.218 125.809 63.391 0.00 0.00 C ATOM 22170 P C A1037 215.171 126.963 57.141 0.00 0.00 P ATOM 22171 O1P C A1037 215.873 127.798 56.146 0.00 0.00 O ATOM 22172 O2P C A1037 214.087 126.054 56.726 0.00 0.00 O ATOM 22173 O5* C A1037 216.262 126.081 57.927 0.00 0.00 O ATOM 22174 C5* C A1037 217.539 126.570 58.287 0.00 0.00 C ATOM 22175 C4* C A1037 218.271 125.519 59.137 0.00 0.00 C ATOM 22176 O4* C A1037 217.578 125.267 60.359 0.00 0.00 O ATOM 22177 C3* C A1037 218.430 124.174 58.429 0.00 0.00 C ATOM 22178 O3* C A1037 219.532 124.164 57.534 0.00 0.00 O ATOM 22179 C2* C A1037 218.594 123.261 59.647 0.00 0.00 C ATOM 22180 O2* C A1037 219.864 123.371 60.271 0.00 0.00 O ATOM 22181 C1* C A1037 217.614 123.874 60.643 0.00 0.00 C ATOM 22182 N1 C A1037 216.266 123.235 60.581 0.00 0.00 N ATOM 22183 C2 C A1037 216.110 121.977 61.176 0.00 0.00 C ATOM 22184 O2 C A1037 217.078 121.370 61.633 0.00 0.00 O ATOM 22185 N3 C A1037 214.876 121.425 61.270 0.00 0.00 N ATOM 22186 C4 C A1037 213.822 122.085 60.821 0.00 0.00 C ATOM 22187 N4 C A1037 212.657 121.511 61.013 0.00 0.00 N ATOM 22188 C5 C A1037 213.936 123.331 60.136 0.00 0.00 C ATOM 22189 C6 C A1037 215.175 123.872 60.037 0.00 0.00 C ATOM 22190 P C A1038 219.603 123.145 56.291 0.00 0.00 P ATOM 22191 O1P C A1038 220.834 123.426 55.527 0.00 0.00 O ATOM 22192 O2P C A1038 218.289 123.161 55.619 0.00 0.00 O ATOM 22193 O5* C A1038 219.755 121.711 56.988 0.00 0.00 O ATOM 22194 C5* C A1038 220.932 121.309 57.667 0.00 0.00 C ATOM 22195 C4* C A1038 220.631 120.010 58.429 0.00 0.00 C ATOM 22196 O4* C A1038 219.493 120.208 59.256 0.00 0.00 O ATOM 22197 C3* C A1038 220.311 118.842 57.502 0.00 0.00 C ATOM 22198 O3* C A1038 221.493 118.152 57.133 0.00 0.00 O ATOM 22199 C2* C A1038 219.315 118.020 58.329 0.00 0.00 C ATOM 22200 O2* C A1038 219.877 117.052 59.202 0.00 0.00 O ATOM 22201 C1* C A1038 218.679 119.049 59.256 0.00 0.00 C ATOM 22202 N1 C A1038 217.257 119.300 58.883 0.00 0.00 N ATOM 22203 C2 C A1038 216.289 118.406 59.361 0.00 0.00 C ATOM 22204 O2 C A1038 216.626 117.400 59.993 0.00 0.00 O ATOM 22205 N3 C A1038 214.971 118.637 59.125 0.00 0.00 N ATOM 22206 C4 C A1038 214.620 119.715 58.442 0.00 0.00 C ATOM 22207 N4 C A1038 213.332 119.919 58.286 0.00 0.00 N ATOM 22208 C5 C A1038 215.568 120.631 57.894 0.00 0.00 C ATOM 22209 C6 C A1038 216.880 120.373 58.113 0.00 0.00 C ATOM 22210 P G A1039 221.564 117.233 55.818 0.00 0.00 P ATOM 22211 O1P G A1039 222.989 117.080 55.455 0.00 0.00 O ATOM 22212 O2P G A1039 220.590 117.745 54.833 0.00 0.00 O ATOM 22213 O5* G A1039 221.022 115.826 56.384 0.00 0.00 O ATOM 22214 C5* G A1039 221.904 114.949 57.062 0.00 0.00 C ATOM 22215 C4* G A1039 221.189 113.703 57.585 0.00 0.00 C ATOM 22216 O4* G A1039 220.176 114.107 58.501 0.00 0.00 O ATOM 22217 C3* G A1039 220.495 112.822 56.541 0.00 0.00 C ATOM 22218 O3* G A1039 221.327 111.952 55.789 0.00 0.00 O ATOM 22219 C2* G A1039 219.554 112.056 57.472 0.00 0.00 C ATOM 22220 O2* G A1039 220.177 111.059 58.271 0.00 0.00 O ATOM 22221 C1* G A1039 219.122 113.160 58.427 0.00 0.00 C ATOM 22222 N9 G A1039 217.872 113.764 57.931 0.00 0.00 N ATOM 22223 C8 G A1039 217.635 114.992 57.379 0.00 0.00 C ATOM 22224 N7 G A1039 216.366 115.258 57.211 0.00 0.00 N ATOM 22225 C5 G A1039 215.715 114.084 57.608 0.00 0.00 C ATOM 22226 C6 G A1039 214.322 113.722 57.708 0.00 0.00 C ATOM 22227 O6 G A1039 213.309 114.393 57.516 0.00 0.00 O ATOM 22228 N1 G A1039 214.132 112.412 58.132 0.00 0.00 N ATOM 22229 C2 G A1039 215.149 111.589 58.536 0.00 0.00 C ATOM 22230 N2 G A1039 214.848 110.437 59.083 0.00 0.00 N ATOM 22231 N3 G A1039 216.437 111.902 58.491 0.00 0.00 N ATOM 22232 C4 G A1039 216.653 113.154 58.001 0.00 0.00 C ATOM 22233 P U A1040 220.772 111.244 54.447 0.00 0.00 P ATOM 22234 O1P U A1040 221.853 110.438 53.849 0.00 0.00 O ATOM 22235 O2P U A1040 220.094 112.278 53.642 0.00 0.00 O ATOM 22236 O5* U A1040 219.634 110.226 54.952 0.00 0.00 O ATOM 22237 C5* U A1040 219.926 109.020 55.630 0.00 0.00 C ATOM 22238 C4* U A1040 218.620 108.332 56.057 0.00 0.00 C ATOM 22239 O4* U A1040 217.756 109.216 56.771 0.00 0.00 O ATOM 22240 C3* U A1040 217.805 107.780 54.891 0.00 0.00 C ATOM 22241 O3* U A1040 218.329 106.550 54.422 0.00 0.00 O ATOM 22242 C2* U A1040 216.431 107.662 55.564 0.00 0.00 C ATOM 22243 O2* U A1040 216.321 106.588 56.489 0.00 0.00 O ATOM 22244 C1* U A1040 216.401 108.929 56.412 0.00 0.00 C ATOM 22245 N1 U A1040 215.720 110.060 55.713 0.00 0.00 N ATOM 22246 C2 U A1040 214.325 110.141 55.822 0.00 0.00 C ATOM 22247 O2 U A1040 213.640 109.254 56.329 0.00 0.00 O ATOM 22248 N3 U A1040 213.724 111.310 55.384 0.00 0.00 N ATOM 22249 C4 U A1040 214.382 112.392 54.846 0.00 0.00 C ATOM 22250 O4 U A1040 213.764 113.415 54.596 0.00 0.00 O ATOM 22251 C5 U A1040 215.809 112.214 54.704 0.00 0.00 C ATOM 22252 C6 U A1040 216.430 111.081 55.120 0.00 0.00 C ATOM 22253 P G A1041 217.977 105.980 52.965 0.00 0.00 P ATOM 22254 O1P G A1041 218.541 104.622 52.868 0.00 0.00 O ATOM 22255 O2P G A1041 218.336 107.009 51.964 0.00 0.00 O ATOM 22256 O5* G A1041 216.378 105.878 53.020 0.00 0.00 O ATOM 22257 C5* G A1041 215.643 104.799 52.457 0.00 0.00 C ATOM 22258 C4* G A1041 214.315 104.619 53.219 0.00 0.00 C ATOM 22259 O4* G A1041 214.052 105.722 54.086 0.00 0.00 O ATOM 22260 C3* G A1041 213.104 104.426 52.301 0.00 0.00 C ATOM 22261 O3* G A1041 212.864 103.043 52.058 0.00 0.00 O ATOM 22262 C2* G A1041 211.997 105.177 53.060 0.00 0.00 C ATOM 22263 O2* G A1041 211.340 104.417 54.064 0.00 0.00 O ATOM 22264 C1* G A1041 212.758 106.239 53.850 0.00 0.00 C ATOM 22265 N9 G A1041 212.801 107.595 53.245 0.00 0.00 N ATOM 22266 C8 G A1041 213.881 108.347 52.858 0.00 0.00 C ATOM 22267 N7 G A1041 213.623 109.621 52.717 0.00 0.00 N ATOM 22268 C5 G A1041 212.253 109.729 52.975 0.00 0.00 C ATOM 22269 C6 G A1041 211.355 110.861 53.029 0.00 0.00 C ATOM 22270 O6 G A1041 211.565 112.066 52.900 0.00 0.00 O ATOM 22271 N1 G A1041 210.051 110.504 53.311 0.00 0.00 N ATOM 22272 C2 G A1041 209.652 109.213 53.490 0.00 0.00 C ATOM 22273 N2 G A1041 208.376 108.979 53.610 0.00 0.00 N ATOM 22274 N3 G A1041 210.454 108.156 53.527 0.00 0.00 N ATOM 22275 C4 G A1041 211.747 108.476 53.252 0.00 0.00 C ATOM 22276 P A A1042 211.641 102.549 51.142 0.00 0.00 P ATOM 22277 O1P A A1042 211.971 101.209 50.590 0.00 0.00 O ATOM 22278 O2P A A1042 211.205 103.651 50.262 0.00 0.00 O ATOM 22279 O5* A A1042 210.476 102.340 52.230 0.00 0.00 O ATOM 22280 C5* A A1042 209.912 101.071 52.502 0.00 0.00 C ATOM 22281 C4* A A1042 208.508 100.954 51.897 0.00 0.00 C ATOM 22282 O4* A A1042 207.632 101.533 52.853 0.00 0.00 O ATOM 22283 C3* A A1042 208.245 101.633 50.529 0.00 0.00 C ATOM 22284 O3* A A1042 208.460 100.797 49.389 0.00 0.00 O ATOM 22285 C2* A A1042 206.759 101.973 50.699 0.00 0.00 C ATOM 22286 O2* A A1042 205.910 100.873 50.349 0.00 0.00 O ATOM 22287 C1* A A1042 206.641 102.285 52.195 0.00 0.00 C ATOM 22288 N9 A A1042 206.786 103.728 52.522 0.00 0.00 N ATOM 22289 C8 A A1042 207.763 104.639 52.182 0.00 0.00 C ATOM 22290 N7 A A1042 207.515 105.865 52.570 0.00 0.00 N ATOM 22291 C5 A A1042 206.290 105.751 53.231 0.00 0.00 C ATOM 22292 C6 A A1042 205.428 106.654 53.896 0.00 0.00 C ATOM 22293 N6 A A1042 205.611 107.961 53.974 0.00 0.00 N ATOM 22294 N1 A A1042 204.318 106.222 54.499 0.00 0.00 N ATOM 22295 C2 A A1042 204.043 104.925 54.434 0.00 0.00 C ATOM 22296 N3 A A1042 204.728 103.967 53.814 0.00 0.00 N ATOM 22297 C4 A A1042 205.862 104.450 53.236 0.00 0.00 C ATOM 22298 P G A1043 208.409 101.340 47.860 0.00 0.00 P ATOM 22299 O1P G A1043 208.169 100.122 47.049 0.00 0.00 O ATOM 22300 O2P G A1043 209.538 102.231 47.560 0.00 0.00 O ATOM 22301 O5* G A1043 207.016 102.153 47.776 0.00 0.00 O ATOM 22302 C5* G A1043 206.922 103.436 47.164 0.00 0.00 C ATOM 22303 C4* G A1043 205.701 104.188 47.705 0.00 0.00 C ATOM 22304 O4* G A1043 205.955 104.622 49.023 0.00 0.00 O ATOM 22305 C3* G A1043 205.261 105.425 46.914 0.00 0.00 C ATOM 22306 O3* G A1043 204.368 105.001 45.897 0.00 0.00 O ATOM 22307 C2* G A1043 204.573 106.229 48.021 0.00 0.00 C ATOM 22308 O2* G A1043 203.245 105.759 48.255 0.00 0.00 O ATOM 22309 C1* G A1043 205.473 105.919 49.230 0.00 0.00 C ATOM 22310 N9 G A1043 206.654 106.806 49.390 0.00 0.00 N ATOM 22311 C8 G A1043 208.001 106.541 49.303 0.00 0.00 C ATOM 22312 N7 G A1043 208.771 107.571 49.544 0.00 0.00 N ATOM 22313 C5 G A1043 207.875 108.578 49.903 0.00 0.00 C ATOM 22314 C6 G A1043 208.072 109.939 50.331 0.00 0.00 C ATOM 22315 O6 G A1043 209.096 110.620 50.392 0.00 0.00 O ATOM 22316 N1 G A1043 206.895 110.534 50.750 0.00 0.00 N ATOM 22317 C2 G A1043 205.678 109.907 50.734 0.00 0.00 C ATOM 22318 N2 G A1043 204.809 110.250 51.639 0.00 0.00 N ATOM 22319 N3 G A1043 205.445 108.695 50.261 0.00 0.00 N ATOM 22320 C4 G A1043 206.588 108.083 49.859 0.00 0.00 C ATOM 22321 P A A1044 204.414 105.529 44.397 0.00 0.00 P ATOM 22322 O1P A A1044 203.228 104.904 43.777 0.00 0.00 O ATOM 22323 O2P A A1044 205.724 105.240 43.792 0.00 0.00 O ATOM 22324 O5* A A1044 204.108 107.103 44.439 0.00 0.00 O ATOM 22325 C5* A A1044 202.767 107.534 44.655 0.00 0.00 C ATOM 22326 C4* A A1044 202.549 109.038 44.823 0.00 0.00 C ATOM 22327 O4* A A1044 202.898 109.477 46.125 0.00 0.00 O ATOM 22328 C3* A A1044 203.271 109.916 43.811 0.00 0.00 C ATOM 22329 O3* A A1044 202.579 109.883 42.567 0.00 0.00 O ATOM 22330 C2* A A1044 203.227 111.249 44.572 0.00 0.00 C ATOM 22331 O2* A A1044 201.971 111.913 44.522 0.00 0.00 O ATOM 22332 C1* A A1044 203.439 110.784 46.012 0.00 0.00 C ATOM 22333 N9 A A1044 204.871 110.736 46.359 0.00 0.00 N ATOM 22334 C8 A A1044 205.694 109.647 46.505 0.00 0.00 C ATOM 22335 N7 A A1044 206.912 109.938 46.871 0.00 0.00 N ATOM 22336 C5 A A1044 206.879 111.338 46.979 0.00 0.00 C ATOM 22337 C6 A A1044 207.823 112.339 47.301 0.00 0.00 C ATOM 22338 N6 A A1044 209.087 112.107 47.587 0.00 0.00 N ATOM 22339 N1 A A1044 207.513 113.633 47.188 0.00 0.00 N ATOM 22340 C2 A A1044 206.277 113.954 46.827 0.00 0.00 C ATOM 22341 N3 A A1044 205.275 113.134 46.534 0.00 0.00 N ATOM 22342 C4 A A1044 205.650 111.828 46.628 0.00 0.00 C ATOM 22343 P C A1045 203.327 110.159 41.178 0.00 0.00 P ATOM 22344 O1P C A1045 202.325 109.986 40.101 0.00 0.00 O ATOM 22345 O2P C A1045 204.535 109.296 41.210 0.00 0.00 O ATOM 22346 O5* C A1045 203.674 111.728 41.299 0.00 0.00 O ATOM 22347 C5* C A1045 202.643 112.706 41.230 0.00 0.00 C ATOM 22348 C4* C A1045 203.133 114.144 41.464 0.00 0.00 C ATOM 22349 O4* C A1045 203.519 114.365 42.821 0.00 0.00 O ATOM 22350 C3* C A1045 204.343 114.574 40.634 0.00 0.00 C ATOM 22351 O3* C A1045 204.138 114.845 39.256 0.00 0.00 O ATOM 22352 C2* C A1045 204.767 115.813 41.413 0.00 0.00 C ATOM 22353 O2* C A1045 203.877 116.914 41.247 0.00 0.00 O ATOM 22354 C1* C A1045 204.664 115.230 42.829 0.00 0.00 C ATOM 22355 N1 C A1045 205.917 114.487 43.192 0.00 0.00 N ATOM 22356 C2 C A1045 207.029 115.224 43.619 0.00 0.00 C ATOM 22357 O2 C A1045 207.002 116.454 43.586 0.00 0.00 O ATOM 22358 N3 C A1045 208.129 114.564 44.075 0.00 0.00 N ATOM 22359 C4 C A1045 208.164 113.245 44.058 0.00 0.00 C ATOM 22360 N4 C A1045 209.218 112.670 44.589 0.00 0.00 N ATOM 22361 C5 C A1045 207.077 112.449 43.606 0.00 0.00 C ATOM 22362 C6 C A1045 205.988 113.112 43.152 0.00 0.00 C ATOM 22363 P A A1046 204.289 113.676 38.173 0.00 0.00 P ATOM 22364 O1P A A1046 204.800 114.350 36.960 0.00 0.00 O ATOM 22365 O2P A A1046 203.014 112.940 38.074 0.00 0.00 O ATOM 22366 O5* A A1046 205.434 112.694 38.791 0.00 0.00 O ATOM 22367 C5* A A1046 206.827 112.939 38.618 0.00 0.00 C ATOM 22368 C4* A A1046 207.751 113.086 39.857 0.00 0.00 C ATOM 22369 O4* A A1046 207.848 111.936 40.696 0.00 0.00 O ATOM 22370 C3* A A1046 209.168 113.253 39.312 0.00 0.00 C ATOM 22371 O3* A A1046 209.473 114.563 38.842 0.00 0.00 O ATOM 22372 C2* A A1046 210.068 112.762 40.449 0.00 0.00 C ATOM 22373 O2* A A1046 210.307 113.689 41.492 0.00 0.00 O ATOM 22374 C1* A A1046 209.211 111.663 41.065 0.00 0.00 C ATOM 22375 N9 A A1046 209.526 110.280 40.624 0.00 0.00 N ATOM 22376 C8 A A1046 208.594 109.307 40.362 0.00 0.00 C ATOM 22377 N7 A A1046 209.086 108.174 39.959 0.00 0.00 N ATOM 22378 C5 A A1046 210.462 108.402 39.986 0.00 0.00 C ATOM 22379 C6 A A1046 211.577 107.600 39.666 0.00 0.00 C ATOM 22380 N6 A A1046 211.465 106.363 39.235 0.00 0.00 N ATOM 22381 N1 A A1046 212.825 108.065 39.796 0.00 0.00 N ATOM 22382 C2 A A1046 212.962 109.295 40.274 0.00 0.00 C ATOM 22383 N3 A A1046 212.014 110.168 40.627 0.00 0.00 N ATOM 22384 C4 A A1046 210.756 109.665 40.433 0.00 0.00 C ATOM 22385 P G A1047 209.660 114.873 37.259 0.00 0.00 P ATOM 22386 O1P G A1047 210.255 116.212 37.070 0.00 0.00 O ATOM 22387 O2P G A1047 208.422 114.537 36.528 0.00 0.00 O ATOM 22388 O5* G A1047 210.740 113.756 36.893 0.00 0.00 O ATOM 22389 C5* G A1047 212.078 113.828 37.337 0.00 0.00 C ATOM 22390 C4* G A1047 212.827 112.573 36.887 0.00 0.00 C ATOM 22391 O4* G A1047 212.479 111.401 37.633 0.00 0.00 O ATOM 22392 C3* G A1047 212.592 112.234 35.417 0.00 0.00 C ATOM 22393 O3* G A1047 213.328 113.092 34.568 0.00 0.00 O ATOM 22394 C2* G A1047 213.066 110.780 35.436 0.00 0.00 C ATOM 22395 O2* G A1047 214.478 110.712 35.572 0.00 0.00 O ATOM 22396 C1* G A1047 212.419 110.291 36.736 0.00 0.00 C ATOM 22397 N9 G A1047 211.013 109.851 36.521 0.00 0.00 N ATOM 22398 C8 G A1047 209.846 110.549 36.701 0.00 0.00 C ATOM 22399 N7 G A1047 208.757 109.865 36.457 0.00 0.00 N ATOM 22400 C5 G A1047 209.237 108.624 36.031 0.00 0.00 C ATOM 22401 C6 G A1047 208.550 107.454 35.546 0.00 0.00 C ATOM 22402 O6 G A1047 207.341 107.243 35.450 0.00 0.00 O ATOM 22403 N1 G A1047 209.412 106.456 35.118 0.00 0.00 N ATOM 22404 C2 G A1047 210.775 106.562 35.169 0.00 0.00 C ATOM 22405 N2 G A1047 211.477 105.581 34.658 0.00 0.00 N ATOM 22406 N3 G A1047 211.441 107.620 35.628 0.00 0.00 N ATOM 22407 C4 G A1047 210.618 108.623 36.045 0.00 0.00 C ATOM 22408 P G A1048 212.859 113.387 33.068 0.00 0.00 P ATOM 22409 O1P G A1048 213.879 114.288 32.476 0.00 0.00 O ATOM 22410 O2P G A1048 211.431 113.782 33.084 0.00 0.00 O ATOM 22411 O5* G A1048 212.902 111.924 32.376 0.00 0.00 O ATOM 22412 C5* G A1048 214.113 111.279 32.021 0.00 0.00 C ATOM 22413 C4* G A1048 213.845 109.963 31.277 0.00 0.00 C ATOM 22414 O4* G A1048 213.275 108.942 32.096 0.00 0.00 O ATOM 22415 C3* G A1048 212.867 110.124 30.115 0.00 0.00 C ATOM 22416 O3* G A1048 213.388 110.847 29.014 0.00 0.00 O ATOM 22417 C2* G A1048 212.571 108.644 29.842 0.00 0.00 C ATOM 22418 O2* G A1048 213.661 107.985 29.207 0.00 0.00 O ATOM 22419 C1* G A1048 212.438 108.119 31.283 0.00 0.00 C ATOM 22420 N9 G A1048 211.033 108.230 31.739 0.00 0.00 N ATOM 22421 C8 G A1048 210.418 109.287 32.354 0.00 0.00 C ATOM 22422 N7 G A1048 209.112 109.234 32.336 0.00 0.00 N ATOM 22423 C5 G A1048 208.841 107.976 31.771 0.00 0.00 C ATOM 22424 C6 G A1048 207.601 107.295 31.488 0.00 0.00 C ATOM 22425 O6 G A1048 206.443 107.664 31.693 0.00 0.00 O ATOM 22426 N1 G A1048 207.787 106.062 30.878 0.00 0.00 N ATOM 22427 C2 G A1048 209.020 105.514 30.625 0.00 0.00 C ATOM 22428 N2 G A1048 209.071 104.322 30.071 0.00 0.00 N ATOM 22429 N3 G A1048 210.182 106.112 30.883 0.00 0.00 N ATOM 22430 C4 G A1048 210.025 107.345 31.446 0.00 0.00 C ATOM 22431 P U A1049 212.512 111.965 28.263 0.00 0.00 P ATOM 22432 O1P U A1049 212.887 113.292 28.773 0.00 0.00 O ATOM 22433 O2P U A1049 211.081 111.576 28.267 0.00 0.00 O ATOM 22434 O5* U A1049 213.026 111.895 26.743 0.00 0.00 O ATOM 22435 C5* U A1049 212.942 110.702 25.970 0.00 0.00 C ATOM 22436 C4* U A1049 214.276 110.436 25.260 0.00 0.00 C ATOM 22437 O4* U A1049 214.637 111.561 24.481 0.00 0.00 O ATOM 22438 C3* U A1049 215.416 110.190 26.263 0.00 0.00 C ATOM 22439 O3* U A1049 215.743 108.820 26.503 0.00 0.00 O ATOM 22440 C2* U A1049 216.559 111.102 25.785 0.00 0.00 C ATOM 22441 O2* U A1049 217.806 110.466 25.574 0.00 0.00 O ATOM 22442 C1* U A1049 216.047 111.700 24.474 0.00 0.00 C ATOM 22443 N1 U A1049 216.445 113.133 24.312 0.00 0.00 N ATOM 22444 C2 U A1049 217.780 113.435 23.997 0.00 0.00 C ATOM 22445 O2 U A1049 218.659 112.575 23.901 0.00 0.00 O ATOM 22446 N3 U A1049 218.102 114.780 23.855 0.00 0.00 N ATOM 22447 C4 U A1049 217.249 115.837 24.107 0.00 0.00 C ATOM 22448 O4 U A1049 217.693 116.976 24.165 0.00 0.00 O ATOM 22449 C5 U A1049 215.891 115.451 24.407 0.00 0.00 C ATOM 22450 C6 U A1049 215.530 114.148 24.504 0.00 0.00 C ATOM 22451 P G A1050 215.992 107.693 25.368 0.00 0.00 P ATOM 22452 O1P G A1050 216.949 106.706 25.914 0.00 0.00 O ATOM 22453 O2P G A1050 216.267 108.325 24.055 0.00 0.00 O ATOM 22454 O5* G A1050 214.563 106.932 25.261 0.00 0.00 O ATOM 22455 C5* G A1050 214.546 105.514 25.167 0.00 0.00 C ATOM 22456 C4* G A1050 213.173 104.850 25.031 0.00 0.00 C ATOM 22457 O4* G A1050 212.451 104.891 26.253 0.00 0.00 O ATOM 22458 C3* G A1050 212.229 105.429 23.980 0.00 0.00 C ATOM 22459 O3* G A1050 212.602 105.166 22.631 0.00 0.00 O ATOM 22460 C2* G A1050 210.944 104.716 24.416 0.00 0.00 C ATOM 22461 O2* G A1050 210.802 103.376 23.955 0.00 0.00 O ATOM 22462 C1* G A1050 211.092 104.646 25.943 0.00 0.00 C ATOM 22463 N9 G A1050 210.192 105.611 26.599 0.00 0.00 N ATOM 22464 C8 G A1050 210.459 106.757 27.299 0.00 0.00 C ATOM 22465 N7 G A1050 209.390 107.385 27.718 0.00 0.00 N ATOM 22466 C5 G A1050 208.329 106.597 27.249 0.00 0.00 C ATOM 22467 C6 G A1050 206.896 106.746 27.322 0.00 0.00 C ATOM 22468 O6 G A1050 206.225 107.634 27.849 0.00 0.00 O ATOM 22469 N1 G A1050 206.212 105.730 26.666 0.00 0.00 N ATOM 22470 C2 G A1050 206.832 104.691 26.022 0.00 0.00 C ATOM 22471 N2 G A1050 206.123 103.799 25.376 0.00 0.00 N ATOM 22472 N3 G A1050 208.142 104.524 25.933 0.00 0.00 N ATOM 22473 C4 G A1050 208.831 105.510 26.569 0.00 0.00 C ATOM 22474 P C A1051 211.838 105.851 21.384 0.00 0.00 P ATOM 22475 O1P C A1051 212.583 105.398 20.186 0.00 0.00 O ATOM 22476 O2P C A1051 211.719 107.304 21.632 0.00 0.00 O ATOM 22477 O5* C A1051 210.353 105.240 21.329 0.00 0.00 O ATOM 22478 C5* C A1051 210.078 103.956 20.794 0.00 0.00 C ATOM 22479 C4* C A1051 208.564 103.708 20.650 0.00 0.00 C ATOM 22480 O4* C A1051 207.861 103.717 21.893 0.00 0.00 O ATOM 22481 C3* C A1051 207.896 104.722 19.727 0.00 0.00 C ATOM 22482 O3* C A1051 208.092 104.339 18.373 0.00 0.00 O ATOM 22483 C2* C A1051 206.445 104.638 20.216 0.00 0.00 C ATOM 22484 O2* C A1051 205.688 103.565 19.677 0.00 0.00 O ATOM 22485 C1* C A1051 206.593 104.360 21.709 0.00 0.00 C ATOM 22486 N1 C A1051 206.470 105.619 22.498 0.00 0.00 N ATOM 22487 C2 C A1051 205.192 106.109 22.830 0.00 0.00 C ATOM 22488 O2 C A1051 204.154 105.559 22.439 0.00 0.00 O ATOM 22489 N3 C A1051 205.083 107.227 23.597 0.00 0.00 N ATOM 22490 C4 C A1051 206.187 107.841 24.024 0.00 0.00 C ATOM 22491 N4 C A1051 206.055 108.901 24.782 0.00 0.00 N ATOM 22492 C5 C A1051 207.495 107.394 23.691 0.00 0.00 C ATOM 22493 C6 C A1051 207.594 106.288 22.921 0.00 0.00 C ATOM 22494 P U A1052 208.066 105.394 17.166 0.00 0.00 P ATOM 22495 O1P U A1052 208.277 104.589 15.926 0.00 0.00 O ATOM 22496 O2P U A1052 208.963 106.517 17.509 0.00 0.00 O ATOM 22497 O5* U A1052 206.546 105.909 17.213 0.00 0.00 O ATOM 22498 C5* U A1052 205.505 105.116 16.687 0.00 0.00 C ATOM 22499 C4* U A1052 204.120 105.626 17.093 0.00 0.00 C ATOM 22500 O4* U A1052 203.968 105.705 18.511 0.00 0.00 O ATOM 22501 C3* U A1052 203.747 106.984 16.509 0.00 0.00 C ATOM 22502 O3* U A1052 203.274 106.865 15.176 0.00 0.00 O ATOM 22503 C2* U A1052 202.632 107.359 17.490 0.00 0.00 C ATOM 22504 O2* U A1052 201.428 106.641 17.261 0.00 0.00 O ATOM 22505 C1* U A1052 203.144 106.834 18.827 0.00 0.00 C ATOM 22506 N1 U A1052 203.839 107.880 19.634 0.00 0.00 N ATOM 22507 C2 U A1052 203.065 108.667 20.502 0.00 0.00 C ATOM 22508 O2 U A1052 201.836 108.590 20.584 0.00 0.00 O ATOM 22509 N3 U A1052 203.753 109.553 21.309 0.00 0.00 N ATOM 22510 C4 U A1052 205.120 109.724 21.359 0.00 0.00 C ATOM 22511 O4 U A1052 205.625 110.565 22.091 0.00 0.00 O ATOM 22512 C5 U A1052 205.850 108.866 20.453 0.00 0.00 C ATOM 22513 C6 U A1052 205.211 108.013 19.611 0.00 0.00 C ATOM 22514 P G A1053 203.931 107.693 13.979 0.00 0.00 P ATOM 22515 O1P G A1053 203.134 107.352 12.777 0.00 0.00 O ATOM 22516 O2P G A1053 205.360 107.337 13.946 0.00 0.00 O ATOM 22517 O5* G A1053 203.712 109.231 14.387 0.00 0.00 O ATOM 22518 C5* G A1053 204.549 110.276 13.925 0.00 0.00 C ATOM 22519 C4* G A1053 203.854 111.624 14.182 0.00 0.00 C ATOM 22520 O4* G A1053 204.496 112.322 15.243 0.00 0.00 O ATOM 22521 C3* G A1053 203.904 112.529 12.948 0.00 0.00 C ATOM 22522 O3* G A1053 202.604 112.969 12.577 0.00 0.00 O ATOM 22523 C2* G A1053 204.818 113.666 13.376 0.00 0.00 C ATOM 22524 O2* G A1053 204.423 114.916 12.893 0.00 0.00 O ATOM 22525 C1* G A1053 204.592 113.676 14.858 0.00 0.00 C ATOM 22526 N9 G A1053 205.659 114.421 15.543 0.00 0.00 N ATOM 22527 C8 G A1053 206.977 114.111 15.746 0.00 0.00 C ATOM 22528 N7 G A1053 207.628 115.020 16.422 0.00 0.00 N ATOM 22529 C5 G A1053 206.676 116.011 16.677 0.00 0.00 C ATOM 22530 C6 G A1053 206.738 117.257 17.397 0.00 0.00 C ATOM 22531 O6 G A1053 207.670 117.734 18.042 0.00 0.00 O ATOM 22532 N1 G A1053 205.562 117.994 17.320 0.00 0.00 N ATOM 22533 C2 G A1053 204.459 117.566 16.619 0.00 0.00 C ATOM 22534 N2 G A1053 203.371 118.291 16.562 0.00 0.00 N ATOM 22535 N3 G A1053 204.356 116.402 15.999 0.00 0.00 N ATOM 22536 C4 G A1053 205.494 115.671 16.066 0.00 0.00 C ATOM 22537 P C A1054 202.334 113.171 11.027 0.00 0.00 P ATOM 22538 O1P C A1054 203.488 113.970 10.550 0.00 0.00 O ATOM 22539 O2P C A1054 200.991 113.706 10.735 0.00 0.00 O ATOM 22540 O5* C A1054 202.429 111.639 10.516 0.00 0.00 O ATOM 22541 C5* C A1054 201.949 110.538 11.303 0.00 0.00 C ATOM 22542 C4* C A1054 200.440 110.559 11.575 0.00 0.00 C ATOM 22543 O4* C A1054 199.808 109.849 10.512 0.00 0.00 O ATOM 22544 C3* C A1054 200.012 109.829 12.855 0.00 0.00 C ATOM 22545 O3* C A1054 200.249 110.510 14.084 0.00 0.00 O ATOM 22546 C2* C A1054 198.536 109.566 12.489 0.00 0.00 C ATOM 22547 O2* C A1054 197.664 110.688 12.396 0.00 0.00 O ATOM 22548 C1* C A1054 198.668 109.176 11.018 0.00 0.00 C ATOM 22549 N1 C A1054 198.767 107.715 10.720 0.00 0.00 N ATOM 22550 C2 C A1054 198.251 107.270 9.500 0.00 0.00 C ATOM 22551 O2 C A1054 197.629 108.010 8.741 0.00 0.00 O ATOM 22552 N3 C A1054 198.354 105.967 9.120 0.00 0.00 N ATOM 22553 C4 C A1054 198.948 105.112 9.947 0.00 0.00 C ATOM 22554 N4 C A1054 199.053 103.868 9.528 0.00 0.00 N ATOM 22555 C5 C A1054 199.422 105.492 11.240 0.00 0.00 C ATOM 22556 C6 C A1054 199.308 106.797 11.593 0.00 0.00 C ATOM 22557 P A A1055 199.996 109.825 15.540 0.00 0.00 P ATOM 22558 O1P A A1055 201.039 110.287 16.491 0.00 0.00 O ATOM 22559 O2P A A1055 199.778 108.361 15.381 0.00 0.00 O ATOM 22560 O5* A A1055 198.604 110.512 16.002 0.00 0.00 O ATOM 22561 C5* A A1055 197.309 110.010 15.692 0.00 0.00 C ATOM 22562 C4* A A1055 196.245 110.783 16.486 0.00 0.00 C ATOM 22563 O4* A A1055 196.407 110.513 17.878 0.00 0.00 O ATOM 22564 C3* A A1055 196.296 112.304 16.308 0.00 0.00 C ATOM 22565 O3* A A1055 195.566 112.806 15.195 0.00 0.00 O ATOM 22566 C2* A A1055 195.708 112.755 17.650 0.00 0.00 C ATOM 22567 O2* A A1055 194.315 112.582 17.812 0.00 0.00 O ATOM 22568 C1* A A1055 196.259 111.721 18.615 0.00 0.00 C ATOM 22569 N9 A A1055 197.545 112.161 19.177 0.00 0.00 N ATOM 22570 C8 A A1055 198.789 111.626 18.973 0.00 0.00 C ATOM 22571 N7 A A1055 199.736 112.249 19.613 0.00 0.00 N ATOM 22572 C5 A A1055 199.069 113.269 20.284 0.00 0.00 C ATOM 22573 C6 A A1055 199.485 114.304 21.145 0.00 0.00 C ATOM 22574 N6 A A1055 200.746 114.485 21.493 0.00 0.00 N ATOM 22575 N1 A A1055 198.584 115.160 21.649 0.00 0.00 N ATOM 22576 C2 A A1055 197.306 114.984 21.325 0.00 0.00 C ATOM 22577 N3 A A1055 196.772 114.050 20.543 0.00 0.00 N ATOM 22578 C4 A A1055 197.725 113.216 20.039 0.00 0.00 C ATOM 22579 P U A1056 196.049 114.145 14.428 0.00 0.00 P ATOM 22580 O1P U A1056 194.961 114.654 13.555 0.00 0.00 O ATOM 22581 O2P U A1056 197.372 113.856 13.846 0.00 0.00 O ATOM 22582 O5* U A1056 196.248 115.198 15.631 0.00 0.00 O ATOM 22583 C5* U A1056 197.272 116.182 15.601 0.00 0.00 C ATOM 22584 C4* U A1056 197.196 117.020 16.877 0.00 0.00 C ATOM 22585 O4* U A1056 197.733 116.319 17.998 0.00 0.00 O ATOM 22586 C3* U A1056 197.949 118.352 16.792 0.00 0.00 C ATOM 22587 O3* U A1056 197.249 119.334 16.031 0.00 0.00 O ATOM 22588 C2* U A1056 198.026 118.624 18.301 0.00 0.00 C ATOM 22589 O2* U A1056 196.744 118.934 18.843 0.00 0.00 O ATOM 22590 C1* U A1056 198.405 117.240 18.855 0.00 0.00 C ATOM 22591 N1 U A1056 199.876 116.946 18.909 0.00 0.00 N ATOM 22592 C2 U A1056 200.693 117.754 19.712 0.00 0.00 C ATOM 22593 O2 U A1056 200.277 118.705 20.369 0.00 0.00 O ATOM 22594 N3 U A1056 202.035 117.437 19.756 0.00 0.00 N ATOM 22595 C4 U A1056 202.642 116.353 19.174 0.00 0.00 C ATOM 22596 O4 U A1056 203.854 116.202 19.309 0.00 0.00 O ATOM 22597 C5 U A1056 201.728 115.501 18.442 0.00 0.00 C ATOM 22598 C6 U A1056 200.408 115.809 18.325 0.00 0.00 C ATOM 22599 P G A1057 197.918 120.725 15.535 0.00 0.00 P ATOM 22600 O1P G A1057 196.834 121.594 15.035 0.00 0.00 O ATOM 22601 O2P G A1057 199.066 120.473 14.627 0.00 0.00 O ATOM 22602 O5* G A1057 198.485 121.387 16.885 0.00 0.00 O ATOM 22603 C5* G A1057 197.598 122.010 17.797 0.00 0.00 C ATOM 22604 C4* G A1057 198.343 122.743 18.920 0.00 0.00 C ATOM 22605 O4* G A1057 199.186 121.861 19.644 0.00 0.00 O ATOM 22606 C3* G A1057 199.230 123.864 18.386 0.00 0.00 C ATOM 22607 O3* G A1057 198.529 125.069 18.091 0.00 0.00 O ATOM 22608 C2* G A1057 200.228 124.000 19.538 0.00 0.00 C ATOM 22609 O2* G A1057 199.738 124.782 20.617 0.00 0.00 O ATOM 22610 C1* G A1057 200.357 122.564 20.040 0.00 0.00 C ATOM 22611 N9 G A1057 201.559 121.910 19.491 0.00 0.00 N ATOM 22612 C8 G A1057 201.654 120.953 18.516 0.00 0.00 C ATOM 22613 N7 G A1057 202.862 120.488 18.344 0.00 0.00 N ATOM 22614 C5 G A1057 203.632 121.212 19.258 0.00 0.00 C ATOM 22615 C6 G A1057 205.033 121.161 19.567 0.00 0.00 C ATOM 22616 O6 G A1057 205.901 120.442 19.073 0.00 0.00 O ATOM 22617 N1 G A1057 205.407 122.055 20.564 0.00 0.00 N ATOM 22618 C2 G A1057 204.533 122.900 21.193 0.00 0.00 C ATOM 22619 N2 G A1057 204.998 123.726 22.105 0.00 0.00 N ATOM 22620 N3 G A1057 203.231 122.971 20.923 0.00 0.00 N ATOM 22621 C4 G A1057 202.839 122.099 19.949 0.00 0.00 C ATOM 22622 P G A1058 199.174 126.139 17.058 0.00 0.00 P ATOM 22623 O1P G A1058 198.514 127.448 17.232 0.00 0.00 O ATOM 22624 O2P G A1058 199.199 125.494 15.728 0.00 0.00 O ATOM 22625 O5* G A1058 200.703 126.286 17.535 0.00 0.00 O ATOM 22626 C5* G A1058 201.103 127.141 18.593 0.00 0.00 C ATOM 22627 C4* G A1058 202.625 127.049 18.790 0.00 0.00 C ATOM 22628 O4* G A1058 203.083 125.743 19.136 0.00 0.00 O ATOM 22629 C3* G A1058 203.368 127.451 17.526 0.00 0.00 C ATOM 22630 O3* G A1058 203.395 128.866 17.422 0.00 0.00 O ATOM 22631 C2* G A1058 204.718 126.764 17.770 0.00 0.00 C ATOM 22632 O2* G A1058 205.555 127.474 18.672 0.00 0.00 O ATOM 22633 C1* G A1058 204.314 125.466 18.469 0.00 0.00 C ATOM 22634 N9 G A1058 204.149 124.345 17.506 0.00 0.00 N ATOM 22635 C8 G A1058 203.011 123.975 16.835 0.00 0.00 C ATOM 22636 N7 G A1058 203.149 122.932 16.066 0.00 0.00 N ATOM 22637 C5 G A1058 204.487 122.564 16.238 0.00 0.00 C ATOM 22638 C6 G A1058 205.255 121.492 15.658 0.00 0.00 C ATOM 22639 O6 G A1058 204.928 120.618 14.859 0.00 0.00 O ATOM 22640 N1 G A1058 206.567 121.476 16.074 0.00 0.00 N ATOM 22641 C2 G A1058 207.103 122.371 16.937 0.00 0.00 C ATOM 22642 N2 G A1058 208.373 122.164 17.198 0.00 0.00 N ATOM 22643 N3 G A1058 206.431 123.391 17.493 0.00 0.00 N ATOM 22644 C4 G A1058 205.115 123.437 17.107 0.00 0.00 C ATOM 22645 P C A1059 203.375 129.606 16.003 0.00 0.00 P ATOM 22646 O1P C A1059 203.414 131.062 16.245 0.00 0.00 O ATOM 22647 O2P C A1059 202.266 129.035 15.196 0.00 0.00 O ATOM 22648 O5* C A1059 204.779 129.140 15.397 0.00 0.00 O ATOM 22649 C5* C A1059 206.015 129.543 15.962 0.00 0.00 C ATOM 22650 C4* C A1059 207.172 128.694 15.420 0.00 0.00 C ATOM 22651 O4* C A1059 207.148 127.329 15.849 0.00 0.00 O ATOM 22652 C3* C A1059 207.219 128.654 13.897 0.00 0.00 C ATOM 22653 O3* C A1059 207.763 129.829 13.340 0.00 0.00 O ATOM 22654 C2* C A1059 208.131 127.443 13.731 0.00 0.00 C ATOM 22655 O2* C A1059 209.457 127.801 14.096 0.00 0.00 O ATOM 22656 C1* C A1059 207.586 126.480 14.784 0.00 0.00 C ATOM 22657 N1 C A1059 206.471 125.641 14.237 0.00 0.00 N ATOM 22658 C2 C A1059 206.753 124.386 13.662 0.00 0.00 C ATOM 22659 O2 C A1059 207.905 123.955 13.560 0.00 0.00 O ATOM 22660 N3 C A1059 205.734 123.615 13.188 0.00 0.00 N ATOM 22661 C4 C A1059 204.482 124.050 13.306 0.00 0.00 C ATOM 22662 N4 C A1059 203.504 123.251 12.970 0.00 0.00 N ATOM 22663 C5 C A1059 204.152 125.324 13.835 0.00 0.00 C ATOM 22664 C6 C A1059 205.172 126.091 14.273 0.00 0.00 C ATOM 22665 P U A1060 207.413 130.262 11.846 0.00 0.00 P ATOM 22666 O1P U A1060 208.300 131.427 11.570 0.00 0.00 O ATOM 22667 O2P U A1060 205.948 130.351 11.733 0.00 0.00 O ATOM 22668 O5* U A1060 207.893 128.985 10.974 0.00 0.00 O ATOM 22669 C5* U A1060 209.263 128.842 10.735 0.00 0.00 C ATOM 22670 C4* U A1060 209.798 127.522 10.157 0.00 0.00 C ATOM 22671 O4* U A1060 209.339 126.371 10.835 0.00 0.00 O ATOM 22672 C3* U A1060 209.612 127.334 8.669 0.00 0.00 C ATOM 22673 O3* U A1060 210.586 128.128 8.016 0.00 0.00 O ATOM 22674 C2* U A1060 209.858 125.819 8.601 0.00 0.00 C ATOM 22675 O2* U A1060 211.228 125.457 8.732 0.00 0.00 O ATOM 22676 C1* U A1060 209.197 125.332 9.890 0.00 0.00 C ATOM 22677 N1 U A1060 207.759 124.994 9.767 0.00 0.00 N ATOM 22678 C2 U A1060 207.459 123.725 9.278 0.00 0.00 C ATOM 22679 O2 U A1060 208.304 122.949 8.842 0.00 0.00 O ATOM 22680 N3 U A1060 206.134 123.364 9.298 0.00 0.00 N ATOM 22681 C4 U A1060 205.083 124.123 9.747 0.00 0.00 C ATOM 22682 O4 U A1060 203.934 123.753 9.541 0.00 0.00 O ATOM 22683 C5 U A1060 205.475 125.386 10.329 0.00 0.00 C ATOM 22684 C6 U A1060 206.766 125.800 10.290 0.00 0.00 C ATOM 22685 P G A1061 210.414 128.580 6.497 0.00 0.00 P ATOM 22686 O1P G A1061 211.564 129.440 6.152 0.00 0.00 O ATOM 22687 O2P G A1061 209.027 129.059 6.330 0.00 0.00 O ATOM 22688 O5* G A1061 210.572 127.167 5.763 0.00 0.00 O ATOM 22689 C5* G A1061 211.840 126.550 5.632 0.00 0.00 C ATOM 22690 C4* G A1061 211.661 125.192 4.958 0.00 0.00 C ATOM 22691 O4* G A1061 210.772 124.371 5.710 0.00 0.00 O ATOM 22692 C3* G A1061 211.052 125.326 3.566 0.00 0.00 C ATOM 22693 O3* G A1061 211.979 125.750 2.572 0.00 0.00 O ATOM 22694 C2* G A1061 210.524 123.900 3.388 0.00 0.00 C ATOM 22695 O2* G A1061 211.565 122.980 3.075 0.00 0.00 O ATOM 22696 C1* G A1061 210.005 123.595 4.798 0.00 0.00 C ATOM 22697 N9 G A1061 208.553 123.886 4.943 0.00 0.00 N ATOM 22698 C8 G A1061 207.911 124.907 5.601 0.00 0.00 C ATOM 22699 N7 G A1061 206.620 124.734 5.731 0.00 0.00 N ATOM 22700 C5 G A1061 206.362 123.568 5.003 0.00 0.00 C ATOM 22701 C6 G A1061 205.131 122.888 4.679 0.00 0.00 C ATOM 22702 O6 G A1061 203.976 123.149 5.024 0.00 0.00 O ATOM 22703 N1 G A1061 205.322 121.798 3.841 0.00 0.00 N ATOM 22704 C2 G A1061 206.552 121.389 3.396 0.00 0.00 C ATOM 22705 N2 G A1061 206.620 120.379 2.562 0.00 0.00 N ATOM 22706 N3 G A1061 207.701 121.984 3.695 0.00 0.00 N ATOM 22707 C4 G A1061 207.544 123.073 4.494 0.00 0.00 C ATOM 22708 P U A1062 211.464 126.530 1.271 0.00 0.00 P ATOM 22709 O1P U A1062 212.548 126.694 0.271 0.00 0.00 O ATOM 22710 O2P U A1062 210.708 127.727 1.666 0.00 0.00 O ATOM 22711 O5* U A1062 210.394 125.545 0.643 0.00 0.00 O ATOM 22712 C5* U A1062 210.751 124.348 -0.009 0.00 0.00 C ATOM 22713 C4* U A1062 209.461 123.713 -0.529 0.00 0.00 C ATOM 22714 O4* U A1062 208.600 123.312 0.530 0.00 0.00 O ATOM 22715 C3* U A1062 208.655 124.686 -1.385 0.00 0.00 C ATOM 22716 O3* U A1062 209.279 124.824 -2.649 0.00 0.00 O ATOM 22717 C2* U A1062 207.283 124.007 -1.326 0.00 0.00 C ATOM 22718 O2* U A1062 207.164 122.857 -2.144 0.00 0.00 O ATOM 22719 C1* U A1062 207.248 123.491 0.116 0.00 0.00 C ATOM 22720 N1 U A1062 206.494 124.400 1.030 0.00 0.00 N ATOM 22721 C2 U A1062 205.121 124.175 1.198 0.00 0.00 C ATOM 22722 O2 U A1062 204.478 123.341 0.560 0.00 0.00 O ATOM 22723 N3 U A1062 204.479 124.936 2.156 0.00 0.00 N ATOM 22724 C4 U A1062 205.051 125.893 2.960 0.00 0.00 C ATOM 22725 O4 U A1062 204.391 126.427 3.849 0.00 0.00 O ATOM 22726 C5 U A1062 206.448 126.135 2.668 0.00 0.00 C ATOM 22727 C6 U A1062 207.122 125.403 1.741 0.00 0.00 C ATOM 22728 P C A1063 209.150 126.141 -3.565 0.00 0.00 P ATOM 22729 O1P C A1063 210.351 126.226 -4.414 0.00 0.00 O ATOM 22730 O2P C A1063 208.760 127.311 -2.730 0.00 0.00 O ATOM 22731 O5* C A1063 207.888 125.786 -4.468 0.00 0.00 O ATOM 22732 C5* C A1063 207.820 124.677 -5.338 0.00 0.00 C ATOM 22733 C4* C A1063 206.332 124.379 -5.589 0.00 0.00 C ATOM 22734 O4* C A1063 205.651 124.007 -4.385 0.00 0.00 O ATOM 22735 C3* C A1063 205.580 125.580 -6.151 0.00 0.00 C ATOM 22736 O3* C A1063 205.824 125.722 -7.533 0.00 0.00 O ATOM 22737 C2* C A1063 204.141 125.248 -5.748 0.00 0.00 C ATOM 22738 O2* C A1063 203.522 124.253 -6.548 0.00 0.00 O ATOM 22739 C1* C A1063 204.347 124.603 -4.379 0.00 0.00 C ATOM 22740 N1 C A1063 204.185 125.563 -3.244 0.00 0.00 N ATOM 22741 C2 C A1063 203.023 125.498 -2.453 0.00 0.00 C ATOM 22742 O2 C A1063 202.055 124.798 -2.766 0.00 0.00 O ATOM 22743 N3 C A1063 202.954 126.206 -1.291 0.00 0.00 N ATOM 22744 C4 C A1063 203.985 126.961 -0.930 0.00 0.00 C ATOM 22745 N4 C A1063 203.886 127.671 0.166 0.00 0.00 N ATOM 22746 C5 C A1063 205.155 127.093 -1.714 0.00 0.00 C ATOM 22747 C6 C A1063 205.203 126.415 -2.882 0.00 0.00 C ATOM 22748 P G A1064 205.602 127.121 -8.264 0.00 0.00 P ATOM 22749 O1P G A1064 204.177 127.477 -8.114 0.00 0.00 O ATOM 22750 O2P G A1064 206.220 127.000 -9.609 0.00 0.00 O ATOM 22751 O5* G A1064 206.464 128.124 -7.325 0.00 0.00 O ATOM 22752 C5* G A1064 206.759 129.457 -7.705 0.00 0.00 C ATOM 22753 C4* G A1064 206.947 130.408 -6.507 0.00 0.00 C ATOM 22754 O4* G A1064 205.638 130.736 -6.032 0.00 0.00 O ATOM 22755 C3* G A1064 207.753 129.891 -5.290 0.00 0.00 C ATOM 22756 O3* G A1064 208.357 130.909 -4.483 0.00 0.00 O ATOM 22757 C2* G A1064 206.611 129.311 -4.457 0.00 0.00 C ATOM 22758 O2* G A1064 206.851 129.290 -3.071 0.00 0.00 O ATOM 22759 C1* G A1064 205.508 130.318 -4.689 0.00 0.00 C ATOM 22760 N9 G A1064 204.188 129.754 -4.334 0.00 0.00 N ATOM 22761 C8 G A1064 203.385 128.890 -5.029 0.00 0.00 C ATOM 22762 N7 G A1064 202.291 128.552 -4.395 0.00 0.00 N ATOM 22763 C5 G A1064 202.367 129.244 -3.180 0.00 0.00 C ATOM 22764 C6 G A1064 201.469 129.333 -2.051 0.00 0.00 C ATOM 22765 O6 G A1064 200.338 128.868 -1.898 0.00 0.00 O ATOM 22766 N1 G A1064 201.986 130.077 -0.998 0.00 0.00 N ATOM 22767 C2 G A1064 203.206 130.694 -1.057 0.00 0.00 C ATOM 22768 N2 G A1064 203.651 131.313 0.002 0.00 0.00 N ATOM 22769 N3 G A1064 204.022 130.703 -2.103 0.00 0.00 N ATOM 22770 C4 G A1064 203.552 129.948 -3.133 0.00 0.00 C ATOM 22771 P U A1065 209.728 131.643 -4.870 0.00 0.00 P ATOM 22772 O1P U A1065 210.178 131.193 -6.204 0.00 0.00 O ATOM 22773 O2P U A1065 210.622 131.582 -3.693 0.00 0.00 O ATOM 22774 O5* U A1065 209.169 133.140 -4.985 0.00 0.00 O ATOM 22775 C5* U A1065 208.054 133.438 -5.805 0.00 0.00 C ATOM 22776 C4* U A1065 207.582 134.868 -5.627 0.00 0.00 C ATOM 22777 O4* U A1065 207.186 135.097 -4.300 0.00 0.00 O ATOM 22778 C3* U A1065 208.628 135.918 -5.979 0.00 0.00 C ATOM 22779 O3* U A1065 208.678 136.184 -7.387 0.00 0.00 O ATOM 22780 C2* U A1065 208.330 137.019 -4.928 0.00 0.00 C ATOM 22781 O2* U A1065 208.161 138.350 -5.381 0.00 0.00 O ATOM 22782 C1* U A1065 207.067 136.492 -4.232 0.00 0.00 C ATOM 22783 N1 U A1065 206.898 136.908 -2.816 0.00 0.00 N ATOM 22784 C2 U A1065 205.835 137.762 -2.501 0.00 0.00 C ATOM 22785 O2 U A1065 205.030 138.162 -3.342 0.00 0.00 O ATOM 22786 N3 U A1065 205.713 138.139 -1.174 0.00 0.00 N ATOM 22787 C4 U A1065 206.547 137.745 -0.146 0.00 0.00 C ATOM 22788 O4 U A1065 206.371 138.177 0.985 0.00 0.00 O ATOM 22789 C5 U A1065 207.578 136.806 -0.541 0.00 0.00 C ATOM 22790 C6 U A1065 207.724 136.414 -1.832 0.00 0.00 C ATOM 22791 P C A1066 207.421 136.520 -8.366 0.00 0.00 P ATOM 22792 O1P C A1066 207.992 136.722 -9.714 0.00 0.00 O ATOM 22793 O2P C A1066 206.612 137.584 -7.729 0.00 0.00 O ATOM 22794 O5* C A1066 206.471 135.198 -8.431 0.00 0.00 O ATOM 22795 C5* C A1066 206.621 134.135 -9.366 0.00 0.00 C ATOM 22796 C4* C A1066 205.344 133.273 -9.393 0.00 0.00 C ATOM 22797 O4* C A1066 205.148 132.595 -8.160 0.00 0.00 O ATOM 22798 C3* C A1066 204.073 134.083 -9.646 0.00 0.00 C ATOM 22799 O3* C A1066 203.898 134.367 -11.029 0.00 0.00 O ATOM 22800 C2* C A1066 203.017 133.136 -9.050 0.00 0.00 C ATOM 22801 O2* C A1066 202.641 132.097 -9.945 0.00 0.00 O ATOM 22802 C1* C A1066 203.752 132.435 -7.901 0.00 0.00 C ATOM 22803 N1 C A1066 203.376 132.918 -6.534 0.00 0.00 N ATOM 22804 C2 C A1066 202.245 132.386 -5.895 0.00 0.00 C ATOM 22805 O2 C A1066 201.468 131.657 -6.505 0.00 0.00 O ATOM 22806 N3 C A1066 202.007 132.666 -4.582 0.00 0.00 N ATOM 22807 C4 C A1066 202.865 133.425 -3.912 0.00 0.00 C ATOM 22808 N4 C A1066 202.591 133.662 -2.647 0.00 0.00 N ATOM 22809 C5 C A1066 204.027 133.991 -4.517 0.00 0.00 C ATOM 22810 C6 C A1066 204.227 133.731 -5.835 0.00 0.00 C ATOM 22811 P A A1067 203.043 135.636 -11.532 0.00 0.00 P ATOM 22812 O1P A A1067 202.890 135.556 -13.001 0.00 0.00 O ATOM 22813 O2P A A1067 203.584 136.864 -10.917 0.00 0.00 O ATOM 22814 O5* A A1067 201.608 135.403 -10.868 0.00 0.00 O ATOM 22815 C5* A A1067 200.690 134.429 -11.332 0.00 0.00 C ATOM 22816 C4* A A1067 199.291 134.833 -10.865 0.00 0.00 C ATOM 22817 O4* A A1067 199.257 134.813 -9.441 0.00 0.00 O ATOM 22818 C3* A A1067 198.942 136.244 -11.370 0.00 0.00 C ATOM 22819 O3* A A1067 197.825 136.299 -12.262 0.00 0.00 O ATOM 22820 C2* A A1067 199.079 137.113 -10.099 0.00 0.00 C ATOM 22821 O2* A A1067 198.096 138.085 -9.823 0.00 0.00 O ATOM 22822 C1* A A1067 199.095 136.129 -8.930 0.00 0.00 C ATOM 22823 N9 A A1067 200.117 136.433 -7.885 0.00 0.00 N ATOM 22824 C8 A A1067 201.417 136.871 -8.021 0.00 0.00 C ATOM 22825 N7 A A1067 202.061 137.026 -6.891 0.00 0.00 N ATOM 22826 C5 A A1067 201.113 136.689 -5.924 0.00 0.00 C ATOM 22827 C6 A A1067 201.111 136.637 -4.505 0.00 0.00 C ATOM 22828 N6 A A1067 202.141 136.903 -3.712 0.00 0.00 N ATOM 22829 N1 A A1067 199.993 136.330 -3.836 0.00 0.00 N ATOM 22830 C2 A A1067 198.915 136.023 -4.554 0.00 0.00 C ATOM 22831 N3 A A1067 198.773 136.007 -5.877 0.00 0.00 N ATOM 22832 C4 A A1067 199.922 136.352 -6.521 0.00 0.00 C ATOM 22833 P G A1068 196.288 135.929 -11.952 0.00 0.00 P ATOM 22834 O1P G A1068 195.578 135.803 -13.244 0.00 0.00 O ATOM 22835 O2P G A1068 195.768 136.864 -10.943 0.00 0.00 O ATOM 22836 O5* G A1068 196.282 134.464 -11.313 0.00 0.00 O ATOM 22837 C5* G A1068 195.192 134.018 -10.539 0.00 0.00 C ATOM 22838 C4* G A1068 195.721 133.421 -9.240 0.00 0.00 C ATOM 22839 O4* G A1068 196.486 134.366 -8.502 0.00 0.00 O ATOM 22840 C3* G A1068 194.563 132.989 -8.347 0.00 0.00 C ATOM 22841 O3* G A1068 194.177 131.659 -8.662 0.00 0.00 O ATOM 22842 C2* G A1068 195.224 133.116 -6.979 0.00 0.00 C ATOM 22843 O2* G A1068 196.060 131.988 -6.784 0.00 0.00 O ATOM 22844 C1* G A1068 196.122 134.352 -7.133 0.00 0.00 C ATOM 22845 N9 G A1068 195.504 135.672 -6.813 0.00 0.00 N ATOM 22846 C8 G A1068 195.346 136.755 -7.644 0.00 0.00 C ATOM 22847 N7 G A1068 194.844 137.819 -7.073 0.00 0.00 N ATOM 22848 C5 G A1068 194.681 137.433 -5.745 0.00 0.00 C ATOM 22849 C6 G A1068 194.184 138.159 -4.603 0.00 0.00 C ATOM 22850 O6 G A1068 193.754 139.307 -4.511 0.00 0.00 O ATOM 22851 N1 G A1068 194.215 137.418 -3.443 0.00 0.00 N ATOM 22852 C2 G A1068 194.698 136.151 -3.371 0.00 0.00 C ATOM 22853 N2 G A1068 194.716 135.608 -2.184 0.00 0.00 N ATOM 22854 N3 G A1068 195.172 135.444 -4.396 0.00 0.00 N ATOM 22855 C4 G A1068 195.123 136.134 -5.572 0.00 0.00 C ATOM 22856 P C A1069 192.690 131.146 -8.465 0.00 0.00 P ATOM 22857 O1P C A1069 192.792 129.707 -8.791 0.00 0.00 O ATOM 22858 O2P C A1069 191.878 131.998 -9.357 0.00 0.00 O ATOM 22859 O5* C A1069 192.292 131.390 -6.906 0.00 0.00 O ATOM 22860 C5* C A1069 192.768 130.552 -5.852 0.00 0.00 C ATOM 22861 C4* C A1069 192.298 130.978 -4.440 0.00 0.00 C ATOM 22862 O4* C A1069 192.826 132.255 -4.104 0.00 0.00 O ATOM 22863 C3* C A1069 190.788 131.101 -4.252 0.00 0.00 C ATOM 22864 O3* C A1069 190.100 129.862 -4.058 0.00 0.00 O ATOM 22865 C2* C A1069 190.720 132.072 -3.057 0.00 0.00 C ATOM 22866 O2* C A1069 190.875 131.473 -1.777 0.00 0.00 O ATOM 22867 C1* C A1069 191.943 132.966 -3.240 0.00 0.00 C ATOM 22868 N1 C A1069 191.587 134.297 -3.810 0.00 0.00 N ATOM 22869 C2 C A1069 191.137 135.334 -2.968 0.00 0.00 C ATOM 22870 O2 C A1069 190.978 135.183 -1.750 0.00 0.00 O ATOM 22871 N3 C A1069 190.860 136.557 -3.501 0.00 0.00 N ATOM 22872 C4 C A1069 191.026 136.752 -4.808 0.00 0.00 C ATOM 22873 N4 C A1069 190.774 137.947 -5.282 0.00 0.00 N ATOM 22874 C5 C A1069 191.465 135.730 -5.694 0.00 0.00 C ATOM 22875 C6 C A1069 191.721 134.517 -5.159 0.00 0.00 C ATOM 22876 P U A1070 188.493 129.810 -4.143 0.00 0.00 P ATOM 22877 O1P U A1070 187.956 128.447 -3.914 0.00 0.00 O ATOM 22878 O2P U A1070 188.079 130.548 -5.351 0.00 0.00 O ATOM 22879 O5* U A1070 188.078 130.677 -2.870 0.00 0.00 O ATOM 22880 C5* U A1070 186.978 131.547 -2.920 0.00 0.00 C ATOM 22881 C4* U A1070 187.056 132.468 -1.711 0.00 0.00 C ATOM 22882 O4* U A1070 188.042 133.485 -1.857 0.00 0.00 O ATOM 22883 C3* U A1070 185.733 133.178 -1.536 0.00 0.00 C ATOM 22884 O3* U A1070 184.823 132.326 -0.875 0.00 0.00 O ATOM 22885 C2* U A1070 186.183 134.406 -0.754 0.00 0.00 C ATOM 22886 O2* U A1070 186.478 134.144 0.615 0.00 0.00 O ATOM 22887 C1* U A1070 187.506 134.738 -1.452 0.00 0.00 C ATOM 22888 N1 U A1070 187.357 135.694 -2.593 0.00 0.00 N ATOM 22889 C2 U A1070 187.045 137.021 -2.277 0.00 0.00 C ATOM 22890 O2 U A1070 186.784 137.400 -1.136 0.00 0.00 O ATOM 22891 N3 U A1070 187.060 137.929 -3.314 0.00 0.00 N ATOM 22892 C4 U A1070 187.362 137.673 -4.631 0.00 0.00 C ATOM 22893 O4 U A1070 187.381 138.592 -5.453 0.00 0.00 O ATOM 22894 C5 U A1070 187.655 136.279 -4.891 0.00 0.00 C ATOM 22895 C6 U A1070 187.650 135.347 -3.899 0.00 0.00 C ATOM 22896 P C A1071 183.249 132.507 -1.062 0.00 0.00 P ATOM 22897 O1P C A1071 182.587 131.373 -0.392 0.00 0.00 O ATOM 22898 O2P C A1071 182.998 132.811 -2.485 0.00 0.00 O ATOM 22899 O5* C A1071 182.999 133.833 -0.211 0.00 0.00 O ATOM 22900 C5* C A1071 183.167 133.861 1.188 0.00 0.00 C ATOM 22901 C4* C A1071 183.020 135.295 1.705 0.00 0.00 C ATOM 22902 O4* C A1071 183.953 136.202 1.109 0.00 0.00 O ATOM 22903 C3* C A1071 181.629 135.851 1.431 0.00 0.00 C ATOM 22904 O3* C A1071 180.655 135.317 2.323 0.00 0.00 O ATOM 22905 C2* C A1071 181.930 137.350 1.560 0.00 0.00 C ATOM 22906 O2* C A1071 182.114 137.776 2.903 0.00 0.00 O ATOM 22907 C1* C A1071 183.300 137.458 0.882 0.00 0.00 C ATOM 22908 N1 C A1071 183.212 137.799 -0.574 0.00 0.00 N ATOM 22909 C2 C A1071 183.115 139.151 -0.962 0.00 0.00 C ATOM 22910 O2 C A1071 182.877 140.051 -0.150 0.00 0.00 O ATOM 22911 N3 C A1071 183.305 139.496 -2.264 0.00 0.00 N ATOM 22912 C4 C A1071 183.546 138.542 -3.155 0.00 0.00 C ATOM 22913 N4 C A1071 183.790 138.898 -4.386 0.00 0.00 N ATOM 22914 C5 C A1071 183.554 137.158 -2.831 0.00 0.00 C ATOM 22915 C6 C A1071 183.372 136.827 -1.534 0.00 0.00 C ATOM 22916 P G A1072 179.091 135.364 1.948 0.00 0.00 P ATOM 22917 O1P G A1072 178.276 134.735 3.017 0.00 0.00 O ATOM 22918 O2P G A1072 178.931 134.907 0.555 0.00 0.00 O ATOM 22919 O5* G A1072 178.842 136.941 1.968 0.00 0.00 O ATOM 22920 C5* G A1072 178.768 137.668 3.180 0.00 0.00 C ATOM 22921 C4* G A1072 178.432 139.121 2.857 0.00 0.00 C ATOM 22922 O4* G A1072 179.475 139.763 2.137 0.00 0.00 O ATOM 22923 C3* G A1072 177.182 139.220 1.991 0.00 0.00 C ATOM 22924 O3* G A1072 176.017 138.956 2.755 0.00 0.00 O ATOM 22925 C2* G A1072 177.356 140.640 1.451 0.00 0.00 C ATOM 22926 O2* G A1072 177.037 141.666 2.377 0.00 0.00 O ATOM 22927 C1* G A1072 178.871 140.689 1.244 0.00 0.00 C ATOM 22928 N9 G A1072 179.229 140.374 -0.155 0.00 0.00 N ATOM 22929 C8 G A1072 179.569 139.181 -0.742 0.00 0.00 C ATOM 22930 N7 G A1072 179.927 139.287 -1.993 0.00 0.00 N ATOM 22931 C5 G A1072 179.754 140.646 -2.276 0.00 0.00 C ATOM 22932 C6 G A1072 179.909 141.398 -3.492 0.00 0.00 C ATOM 22933 O6 G A1072 180.303 141.020 -4.595 0.00 0.00 O ATOM 22934 N1 G A1072 179.524 142.726 -3.359 0.00 0.00 N ATOM 22935 C2 G A1072 179.063 143.276 -2.192 0.00 0.00 C ATOM 22936 N2 G A1072 178.665 144.526 -2.190 0.00 0.00 N ATOM 22937 N3 G A1072 178.924 142.610 -1.050 0.00 0.00 N ATOM 22938 C4 G A1072 179.284 141.300 -1.160 0.00 0.00 C ATOM 22939 P U A1073 174.772 138.151 2.139 0.00 0.00 P ATOM 22940 O1P U A1073 173.807 137.878 3.221 0.00 0.00 O ATOM 22941 O2P U A1073 175.265 137.022 1.311 0.00 0.00 O ATOM 22942 O5* U A1073 174.162 139.273 1.183 0.00 0.00 O ATOM 22943 C5* U A1073 173.532 140.415 1.728 0.00 0.00 C ATOM 22944 C4* U A1073 173.425 141.512 0.677 0.00 0.00 C ATOM 22945 O4* U A1073 174.703 141.946 0.212 0.00 0.00 O ATOM 22946 C3* U A1073 172.631 141.090 -0.555 0.00 0.00 C ATOM 22947 O3* U A1073 171.234 141.079 -0.326 0.00 0.00 O ATOM 22948 C2* U A1073 173.088 142.213 -1.482 0.00 0.00 C ATOM 22949 O2* U A1073 172.483 143.439 -1.093 0.00 0.00 O ATOM 22950 C1* U A1073 174.583 142.302 -1.164 0.00 0.00 C ATOM 22951 N1 U A1073 175.404 141.418 -2.048 0.00 0.00 N ATOM 22952 C2 U A1073 175.881 141.961 -3.248 0.00 0.00 C ATOM 22953 O2 U A1073 175.623 143.105 -3.631 0.00 0.00 O ATOM 22954 N3 U A1073 176.671 141.140 -4.026 0.00 0.00 N ATOM 22955 C4 U A1073 177.034 139.845 -3.743 0.00 0.00 C ATOM 22956 O4 U A1073 177.764 139.245 -4.523 0.00 0.00 O ATOM 22957 C5 U A1073 176.499 139.343 -2.496 0.00 0.00 C ATOM 22958 C6 U A1073 175.706 140.114 -1.707 0.00 0.00 C ATOM 22959 P G A1074 170.245 140.277 -1.291 0.00 0.00 P ATOM 22960 O1P G A1074 168.859 140.685 -0.966 0.00 0.00 O ATOM 22961 O2P G A1074 170.586 138.843 -1.239 0.00 0.00 O ATOM 22962 O5* G A1074 170.572 140.818 -2.755 0.00 0.00 O ATOM 22963 C5* G A1074 170.023 142.040 -3.191 0.00 0.00 C ATOM 22964 C4* G A1074 170.472 142.342 -4.605 0.00 0.00 C ATOM 22965 O4* G A1074 171.881 142.541 -4.705 0.00 0.00 O ATOM 22966 C3* G A1074 170.103 141.268 -5.640 0.00 0.00 C ATOM 22967 O3* G A1074 168.712 141.251 -5.934 0.00 0.00 O ATOM 22968 C2* G A1074 170.988 141.836 -6.754 0.00 0.00 C ATOM 22969 O2* G A1074 170.493 143.088 -7.198 0.00 0.00 O ATOM 22970 C1* G A1074 172.288 142.131 -6.004 0.00 0.00 C ATOM 22971 N9 G A1074 173.160 140.938 -5.905 0.00 0.00 N ATOM 22972 C8 G A1074 173.347 140.097 -4.838 0.00 0.00 C ATOM 22973 N7 G A1074 174.236 139.168 -5.041 0.00 0.00 N ATOM 22974 C5 G A1074 174.659 139.382 -6.354 0.00 0.00 C ATOM 22975 C6 G A1074 175.592 138.669 -7.188 0.00 0.00 C ATOM 22976 O6 G A1074 176.285 137.686 -6.948 0.00 0.00 O ATOM 22977 N1 G A1074 175.668 139.174 -8.470 0.00 0.00 N ATOM 22978 C2 G A1074 174.957 140.242 -8.911 0.00 0.00 C ATOM 22979 N2 G A1074 175.184 140.599 -10.153 0.00 0.00 N ATOM 22980 N3 G A1074 174.087 140.934 -8.172 0.00 0.00 N ATOM 22981 C4 G A1074 173.980 140.454 -6.897 0.00 0.00 C ATOM 22982 P U A1075 167.915 140.006 -6.577 0.00 0.00 P ATOM 22983 O1P U A1075 166.504 140.416 -6.768 0.00 0.00 O ATOM 22984 O2P U A1075 168.238 138.820 -5.759 0.00 0.00 O ATOM 22985 O5* U A1075 168.551 139.763 -8.034 0.00 0.00 O ATOM 22986 C5* U A1075 168.419 140.675 -9.105 0.00 0.00 C ATOM 22987 C4* U A1075 169.266 140.226 -10.303 0.00 0.00 C ATOM 22988 O4* U A1075 170.646 140.377 -9.996 0.00 0.00 O ATOM 22989 C3* U A1075 169.051 138.788 -10.769 0.00 0.00 C ATOM 22990 O3* U A1075 167.882 138.695 -11.583 0.00 0.00 O ATOM 22991 C2* U A1075 170.399 138.570 -11.487 0.00 0.00 C ATOM 22992 O2* U A1075 170.474 139.193 -12.765 0.00 0.00 O ATOM 22993 C1* U A1075 171.376 139.306 -10.559 0.00 0.00 C ATOM 22994 N1 U A1075 171.936 138.426 -9.493 0.00 0.00 N ATOM 22995 C2 U A1075 173.011 137.604 -9.840 0.00 0.00 C ATOM 22996 O2 U A1075 173.508 137.580 -10.966 0.00 0.00 O ATOM 22997 N3 U A1075 173.508 136.787 -8.847 0.00 0.00 N ATOM 22998 C4 U A1075 173.067 136.712 -7.547 0.00 0.00 C ATOM 22999 O4 U A1075 173.627 135.955 -6.763 0.00 0.00 O ATOM 23000 C5 U A1075 171.967 137.603 -7.253 0.00 0.00 C ATOM 23001 C6 U A1075 171.446 138.421 -8.202 0.00 0.00 C ATOM 23002 P U A1076 167.130 137.303 -11.875 0.00 0.00 P ATOM 23003 O1P U A1076 165.992 137.517 -12.802 0.00 0.00 O ATOM 23004 O2P U A1076 166.881 136.560 -10.620 0.00 0.00 O ATOM 23005 O5* U A1076 168.227 136.439 -12.636 0.00 0.00 O ATOM 23006 C5* U A1076 168.548 136.637 -13.997 0.00 0.00 C ATOM 23007 C4* U A1076 169.461 135.496 -14.452 0.00 0.00 C ATOM 23008 O4* U A1076 170.742 135.561 -13.833 0.00 0.00 O ATOM 23009 C3* U A1076 168.872 134.131 -14.094 0.00 0.00 C ATOM 23010 O3* U A1076 167.792 133.747 -14.947 0.00 0.00 O ATOM 23011 C2* U A1076 170.139 133.278 -14.158 0.00 0.00 C ATOM 23012 O2* U A1076 170.541 132.962 -15.486 0.00 0.00 O ATOM 23013 C1* U A1076 171.177 134.234 -13.547 0.00 0.00 C ATOM 23014 N1 U A1076 171.367 134.014 -12.081 0.00 0.00 N ATOM 23015 C2 U A1076 172.237 132.990 -11.698 0.00 0.00 C ATOM 23016 O2 U A1076 172.803 132.254 -12.505 0.00 0.00 O ATOM 23017 N3 U A1076 172.456 132.837 -10.345 0.00 0.00 N ATOM 23018 C4 U A1076 171.937 133.611 -9.337 0.00 0.00 C ATOM 23019 O4 U A1076 172.240 133.364 -8.174 0.00 0.00 O ATOM 23020 C5 U A1076 171.047 134.656 -9.803 0.00 0.00 C ATOM 23021 C6 U A1076 170.774 134.816 -11.127 0.00 0.00 C ATOM 23022 P G A1077 166.583 132.855 -14.384 0.00 0.00 P ATOM 23023 O1P G A1077 165.648 132.606 -15.520 0.00 0.00 O ATOM 23024 O2P G A1077 166.090 133.447 -13.115 0.00 0.00 O ATOM 23025 O5* G A1077 167.369 131.506 -14.071 0.00 0.00 O ATOM 23026 C5* G A1077 167.894 130.694 -15.109 0.00 0.00 C ATOM 23027 C4* G A1077 168.654 129.515 -14.528 0.00 0.00 C ATOM 23028 O4* G A1077 169.828 129.938 -13.856 0.00 0.00 O ATOM 23029 C3* G A1077 167.815 128.724 -13.533 0.00 0.00 C ATOM 23030 O3* G A1077 166.812 127.965 -14.197 0.00 0.00 O ATOM 23031 C2* G A1077 168.954 127.936 -12.894 0.00 0.00 C ATOM 23032 O2* G A1077 169.431 126.910 -13.752 0.00 0.00 O ATOM 23033 C1* G A1077 170.050 129.011 -12.808 0.00 0.00 C ATOM 23034 N9 G A1077 170.048 129.702 -11.501 0.00 0.00 N ATOM 23035 C8 G A1077 169.402 130.832 -11.068 0.00 0.00 C ATOM 23036 N7 G A1077 169.539 131.070 -9.788 0.00 0.00 N ATOM 23037 C5 G A1077 170.329 130.003 -9.332 0.00 0.00 C ATOM 23038 C6 G A1077 170.771 129.598 -8.017 0.00 0.00 C ATOM 23039 O6 G A1077 170.545 130.084 -6.902 0.00 0.00 O ATOM 23040 N1 G A1077 171.567 128.465 -8.069 0.00 0.00 N ATOM 23041 C2 G A1077 171.894 127.789 -9.208 0.00 0.00 C ATOM 23042 N2 G A1077 172.650 126.731 -9.076 0.00 0.00 N ATOM 23043 N3 G A1077 171.482 128.108 -10.421 0.00 0.00 N ATOM 23044 C4 G A1077 170.694 129.217 -10.407 0.00 0.00 C ATOM 23045 P U A1078 165.339 127.802 -13.585 0.00 0.00 P ATOM 23046 O1P U A1078 164.476 127.082 -14.543 0.00 0.00 O ATOM 23047 O2P U A1078 164.868 129.126 -13.108 0.00 0.00 O ATOM 23048 O5* U A1078 165.519 126.875 -12.290 0.00 0.00 O ATOM 23049 C5* U A1078 164.636 126.981 -11.188 0.00 0.00 C ATOM 23050 C4* U A1078 164.746 125.770 -10.270 0.00 0.00 C ATOM 23051 O4* U A1078 164.446 124.598 -11.003 0.00 0.00 O ATOM 23052 C3* U A1078 166.127 125.625 -9.647 0.00 0.00 C ATOM 23053 O3* U A1078 166.166 126.345 -8.427 0.00 0.00 O ATOM 23054 C2* U A1078 166.206 124.113 -9.446 0.00 0.00 C ATOM 23055 O2* U A1078 165.741 123.670 -8.186 0.00 0.00 O ATOM 23056 C1* U A1078 165.237 123.547 -10.485 0.00 0.00 C ATOM 23057 N1 U A1078 166.022 122.829 -11.511 0.00 0.00 N ATOM 23058 C2 U A1078 166.318 121.500 -11.221 0.00 0.00 C ATOM 23059 O2 U A1078 165.831 120.900 -10.258 0.00 0.00 O ATOM 23060 N3 U A1078 167.233 120.881 -12.041 0.00 0.00 N ATOM 23061 C4 U A1078 167.929 121.461 -13.072 0.00 0.00 C ATOM 23062 O4 U A1078 168.725 120.778 -13.711 0.00 0.00 O ATOM 23063 C5 U A1078 167.604 122.860 -13.284 0.00 0.00 C ATOM 23064 C6 U A1078 166.663 123.490 -12.534 0.00 0.00 C ATOM 23065 P G A1079 167.475 127.120 -7.943 0.00 0.00 P ATOM 23066 O1P G A1079 167.162 127.636 -6.585 0.00 0.00 O ATOM 23067 O2P G A1079 167.911 128.005 -9.038 0.00 0.00 O ATOM 23068 O5* G A1079 168.490 125.904 -7.797 0.00 0.00 O ATOM 23069 C5* G A1079 168.373 124.996 -6.719 0.00 0.00 C ATOM 23070 C4* G A1079 169.333 123.831 -6.924 0.00 0.00 C ATOM 23071 O4* G A1079 169.097 123.113 -8.137 0.00 0.00 O ATOM 23072 C3* G A1079 170.776 124.317 -6.968 0.00 0.00 C ATOM 23073 O3* G A1079 171.241 124.638 -5.665 0.00 0.00 O ATOM 23074 C2* G A1079 171.398 123.078 -7.609 0.00 0.00 C ATOM 23075 O2* G A1079 171.487 122.059 -6.628 0.00 0.00 O ATOM 23076 C1* G A1079 170.346 122.665 -8.660 0.00 0.00 C ATOM 23077 N9 G A1079 170.561 123.256 -10.017 0.00 0.00 N ATOM 23078 C8 G A1079 170.251 124.535 -10.421 0.00 0.00 C ATOM 23079 N7 G A1079 170.398 124.757 -11.697 0.00 0.00 N ATOM 23080 C5 G A1079 170.847 123.533 -12.195 0.00 0.00 C ATOM 23081 C6 G A1079 171.173 123.152 -13.544 0.00 0.00 C ATOM 23082 O6 G A1079 171.168 123.827 -14.569 0.00 0.00 O ATOM 23083 N1 G A1079 171.583 121.840 -13.667 0.00 0.00 N ATOM 23084 C2 G A1079 171.694 120.984 -12.607 0.00 0.00 C ATOM 23085 N2 G A1079 172.143 119.783 -12.928 0.00 0.00 N ATOM 23086 N3 G A1079 171.434 121.310 -11.320 0.00 0.00 N ATOM 23087 C4 G A1079 170.986 122.607 -11.175 0.00 0.00 C ATOM 23088 P A A1080 172.573 125.498 -5.439 0.00 0.00 P ATOM 23089 O1P A A1080 172.708 125.761 -3.993 0.00 0.00 O ATOM 23090 O2P A A1080 172.530 126.633 -6.382 0.00 0.00 O ATOM 23091 O5* A A1080 173.753 124.526 -5.935 0.00 0.00 O ATOM 23092 C5* A A1080 174.138 123.399 -5.172 0.00 0.00 C ATOM 23093 C4* A A1080 175.147 122.524 -5.928 0.00 0.00 C ATOM 23094 O4* A A1080 174.594 122.040 -7.145 0.00 0.00 O ATOM 23095 C3* A A1080 176.477 123.193 -6.289 0.00 0.00 C ATOM 23096 O3* A A1080 177.402 123.189 -5.222 0.00 0.00 O ATOM 23097 C2* A A1080 176.939 122.199 -7.360 0.00 0.00 C ATOM 23098 O2* A A1080 177.423 120.995 -6.745 0.00 0.00 O ATOM 23099 C1* A A1080 175.632 121.856 -8.087 0.00 0.00 C ATOM 23100 N9 A A1080 175.287 122.710 -9.248 0.00 0.00 N ATOM 23101 C8 A A1080 174.822 124.003 -9.247 0.00 0.00 C ATOM 23102 N7 A A1080 174.474 124.461 -10.423 0.00 0.00 N ATOM 23103 C5 A A1080 174.718 123.368 -11.267 0.00 0.00 C ATOM 23104 C6 A A1080 174.553 123.129 -12.654 0.00 0.00 C ATOM 23105 N6 A A1080 174.100 124.035 -13.508 0.00 0.00 N ATOM 23106 N1 A A1080 174.800 121.925 -13.189 0.00 0.00 N ATOM 23107 C2 A A1080 175.236 120.974 -12.361 0.00 0.00 C ATOM 23108 N3 A A1080 175.467 121.054 -11.049 0.00 0.00 N ATOM 23109 C4 A A1080 175.184 122.293 -10.556 0.00 0.00 C ATOM 23110 P A A1081 178.371 124.400 -4.854 0.00 0.00 P ATOM 23111 O1P A A1081 179.239 123.970 -3.735 0.00 0.00 O ATOM 23112 O2P A A1081 177.538 125.609 -4.711 0.00 0.00 O ATOM 23113 O5* A A1081 179.282 124.513 -6.174 0.00 0.00 O ATOM 23114 C5* A A1081 179.490 125.746 -6.830 0.00 0.00 C ATOM 23115 C4* A A1081 178.950 125.696 -8.260 0.00 0.00 C ATOM 23116 O4* A A1081 177.538 125.524 -8.329 0.00 0.00 O ATOM 23117 C3* A A1081 179.262 127.034 -8.909 0.00 0.00 C ATOM 23118 O3* A A1081 180.581 127.057 -9.427 0.00 0.00 O ATOM 23119 C2* A A1081 178.133 127.180 -9.926 0.00 0.00 C ATOM 23120 O2* A A1081 178.329 126.475 -11.142 0.00 0.00 O ATOM 23121 C1* A A1081 176.975 126.518 -9.175 0.00 0.00 C ATOM 23122 N9 A A1081 176.211 127.486 -8.355 0.00 0.00 N ATOM 23123 C8 A A1081 176.045 127.534 -6.989 0.00 0.00 C ATOM 23124 N7 A A1081 175.367 128.566 -6.568 0.00 0.00 N ATOM 23125 C5 A A1081 175.013 129.215 -7.749 0.00 0.00 C ATOM 23126 C6 A A1081 174.265 130.372 -8.038 0.00 0.00 C ATOM 23127 N6 A A1081 173.723 131.132 -7.102 0.00 0.00 N ATOM 23128 N1 A A1081 174.041 130.734 -9.308 0.00 0.00 N ATOM 23129 C2 A A1081 174.562 129.982 -10.272 0.00 0.00 C ATOM 23130 N3 A A1081 175.312 128.892 -10.151 0.00 0.00 N ATOM 23131 C4 A A1081 175.494 128.551 -8.844 0.00 0.00 C ATOM 23132 P A A1082 181.438 128.410 -9.414 0.00 0.00 P ATOM 23133 O1P A A1082 182.769 128.123 -9.996 0.00 0.00 O ATOM 23134 O2P A A1082 181.315 128.993 -8.063 0.00 0.00 O ATOM 23135 O5* A A1082 180.599 129.294 -10.459 0.00 0.00 O ATOM 23136 C5* A A1082 180.576 128.933 -11.828 0.00 0.00 C ATOM 23137 C4* A A1082 179.570 129.756 -12.639 0.00 0.00 C ATOM 23138 O4* A A1082 178.255 129.693 -12.095 0.00 0.00 O ATOM 23139 C3* A A1082 179.957 131.224 -12.736 0.00 0.00 C ATOM 23140 O3* A A1082 180.895 131.456 -13.780 0.00 0.00 O ATOM 23141 C2* A A1082 178.592 131.878 -12.976 0.00 0.00 C ATOM 23142 O2* A A1082 178.113 131.848 -14.316 0.00 0.00 O ATOM 23143 C1* A A1082 177.667 130.984 -12.154 0.00 0.00 C ATOM 23144 N9 A A1082 177.462 131.562 -10.812 0.00 0.00 N ATOM 23145 C8 A A1082 177.902 131.117 -9.588 0.00 0.00 C ATOM 23146 N7 A A1082 177.422 131.787 -8.578 0.00 0.00 N ATOM 23147 C5 A A1082 176.637 132.767 -9.186 0.00 0.00 C ATOM 23148 C6 A A1082 175.824 133.808 -8.699 0.00 0.00 C ATOM 23149 N6 A A1082 175.647 134.043 -7.412 0.00 0.00 N ATOM 23150 N1 A A1082 175.202 134.633 -9.554 0.00 0.00 N ATOM 23151 C2 A A1082 175.355 134.423 -10.855 0.00 0.00 C ATOM 23152 N3 A A1082 176.058 133.469 -11.457 0.00 0.00 N ATOM 23153 C4 A A1082 176.682 132.662 -10.548 0.00 0.00 C ATOM 23154 P U A1083 182.007 132.611 -13.653 0.00 0.00 P ATOM 23155 O1P U A1083 182.693 132.759 -14.966 0.00 0.00 O ATOM 23156 O2P U A1083 182.770 132.372 -12.415 0.00 0.00 O ATOM 23157 O5* U A1083 181.091 133.911 -13.474 0.00 0.00 O ATOM 23158 C5* U A1083 180.417 134.422 -14.603 0.00 0.00 C ATOM 23159 C4* U A1083 179.460 135.556 -14.264 0.00 0.00 C ATOM 23160 O4* U A1083 178.467 135.146 -13.328 0.00 0.00 O ATOM 23161 C3* U A1083 180.102 136.827 -13.719 0.00 0.00 C ATOM 23162 O3* U A1083 180.647 137.649 -14.735 0.00 0.00 O ATOM 23163 C2* U A1083 178.842 137.446 -13.105 0.00 0.00 C ATOM 23164 O2* U A1083 177.885 137.884 -14.059 0.00 0.00 O ATOM 23165 C1* U A1083 178.151 136.248 -12.479 0.00 0.00 C ATOM 23166 N1 U A1083 178.514 136.049 -11.049 0.00 0.00 N ATOM 23167 C2 U A1083 177.839 136.828 -10.100 0.00 0.00 C ATOM 23168 O2 U A1083 177.098 137.767 -10.393 0.00 0.00 O ATOM 23169 N3 U A1083 178.007 136.483 -8.775 0.00 0.00 N ATOM 23170 C4 U A1083 178.757 135.434 -8.303 0.00 0.00 C ATOM 23171 O4 U A1083 178.776 135.185 -7.106 0.00 0.00 O ATOM 23172 C5 U A1083 179.476 134.717 -9.331 0.00 0.00 C ATOM 23173 C6 U A1083 179.356 135.036 -10.645 0.00 0.00 C ATOM 23174 P G A1084 182.227 137.854 -14.908 0.00 0.00 P ATOM 23175 O1P G A1084 182.436 138.609 -16.158 0.00 0.00 O ATOM 23176 O2P G A1084 182.853 136.520 -14.801 0.00 0.00 O ATOM 23177 O5* G A1084 182.636 138.738 -13.621 0.00 0.00 O ATOM 23178 C5* G A1084 182.172 140.075 -13.483 0.00 0.00 C ATOM 23179 C4* G A1084 182.093 140.527 -12.015 0.00 0.00 C ATOM 23180 O4* G A1084 181.267 139.636 -11.276 0.00 0.00 O ATOM 23181 C3* G A1084 183.413 140.593 -11.247 0.00 0.00 C ATOM 23182 O3* G A1084 184.177 141.749 -11.554 0.00 0.00 O ATOM 23183 C2* G A1084 182.898 140.531 -9.797 0.00 0.00 C ATOM 23184 O2* G A1084 182.433 141.763 -9.273 0.00 0.00 O ATOM 23185 C1* G A1084 181.664 139.642 -9.909 0.00 0.00 C ATOM 23186 N9 G A1084 181.942 138.260 -9.469 0.00 0.00 N ATOM 23187 C8 G A1084 182.494 137.248 -10.209 0.00 0.00 C ATOM 23188 N7 G A1084 182.617 136.124 -9.565 0.00 0.00 N ATOM 23189 C5 G A1084 182.100 136.403 -8.297 0.00 0.00 C ATOM 23190 C6 G A1084 181.957 135.569 -7.135 0.00 0.00 C ATOM 23191 O6 G A1084 182.252 134.387 -6.996 0.00 0.00 O ATOM 23192 N1 G A1084 181.422 136.223 -6.037 0.00 0.00 N ATOM 23193 C2 G A1084 181.067 137.541 -6.052 0.00 0.00 C ATOM 23194 N2 G A1084 180.657 138.039 -4.905 0.00 0.00 N ATOM 23195 N3 G A1084 181.164 138.346 -7.126 0.00 0.00 N ATOM 23196 C4 G A1084 181.694 137.718 -8.223 0.00 0.00 C ATOM 23197 P U A1085 185.695 141.920 -11.043 0.00 0.00 P ATOM 23198 O1P U A1085 185.715 141.713 -9.577 0.00 0.00 O ATOM 23199 O2P U A1085 186.254 143.152 -11.625 0.00 0.00 O ATOM 23200 O5* U A1085 186.431 140.665 -11.707 0.00 0.00 O ATOM 23201 C5* U A1085 187.831 140.636 -11.952 0.00 0.00 C ATOM 23202 C4* U A1085 188.287 139.172 -12.005 0.00 0.00 C ATOM 23203 O4* U A1085 188.107 138.614 -10.723 0.00 0.00 O ATOM 23204 C3* U A1085 187.441 138.353 -12.981 0.00 0.00 C ATOM 23205 O3* U A1085 188.000 138.242 -14.286 0.00 0.00 O ATOM 23206 C2* U A1085 186.981 137.102 -12.216 0.00 0.00 C ATOM 23207 O2* U A1085 187.448 135.870 -12.724 0.00 0.00 O ATOM 23208 C1* U A1085 187.514 137.327 -10.797 0.00 0.00 C ATOM 23209 N1 U A1085 186.482 137.187 -9.725 0.00 0.00 N ATOM 23210 C2 U A1085 186.263 135.915 -9.182 0.00 0.00 C ATOM 23211 O2 U A1085 186.675 134.889 -9.717 0.00 0.00 O ATOM 23212 N3 U A1085 185.558 135.850 -7.986 0.00 0.00 N ATOM 23213 C4 U A1085 185.071 136.944 -7.290 0.00 0.00 C ATOM 23214 O4 U A1085 184.544 136.822 -6.189 0.00 0.00 O ATOM 23215 C5 U A1085 185.238 138.207 -7.968 0.00 0.00 C ATOM 23216 C6 U A1085 185.908 138.298 -9.144 0.00 0.00 C ATOM 23217 P U A1086 189.471 137.722 -14.672 0.00 0.00 P ATOM 23218 O1P U A1086 190.005 136.750 -13.707 0.00 0.00 O ATOM 23219 O2P U A1086 190.336 138.864 -15.046 0.00 0.00 O ATOM 23220 O5* U A1086 189.147 136.972 -16.054 0.00 0.00 O ATOM 23221 C5* U A1086 188.429 135.744 -16.124 0.00 0.00 C ATOM 23222 C4* U A1086 187.301 135.745 -17.186 0.00 0.00 C ATOM 23223 O4* U A1086 186.054 136.247 -16.690 0.00 0.00 O ATOM 23224 C3* U A1086 187.615 136.577 -18.428 0.00 0.00 C ATOM 23225 O3* U A1086 188.440 135.924 -19.383 0.00 0.00 O ATOM 23226 C2* U A1086 186.218 136.921 -18.952 0.00 0.00 C ATOM 23227 O2* U A1086 185.558 135.915 -19.716 0.00 0.00 O ATOM 23228 C1* U A1086 185.421 137.103 -17.651 0.00 0.00 C ATOM 23229 N1 U A1086 185.323 138.521 -17.186 0.00 0.00 N ATOM 23230 C2 U A1086 184.783 139.490 -18.052 0.00 0.00 C ATOM 23231 O2 U A1086 184.358 139.244 -19.184 0.00 0.00 O ATOM 23232 N3 U A1086 184.736 140.789 -17.583 0.00 0.00 N ATOM 23233 C4 U A1086 184.970 141.170 -16.280 0.00 0.00 C ATOM 23234 O4 U A1086 184.755 142.320 -15.938 0.00 0.00 O ATOM 23235 C5 U A1086 185.422 140.113 -15.413 0.00 0.00 C ATOM 23236 C6 U A1086 185.576 138.844 -15.871 0.00 0.00 C ATOM 23237 P G A1087 189.574 136.755 -20.171 0.00 0.00 P ATOM 23238 O1P G A1087 190.249 135.855 -21.129 0.00 0.00 O ATOM 23239 O2P G A1087 190.371 137.495 -19.165 0.00 0.00 O ATOM 23240 O5* G A1087 188.664 137.782 -21.022 0.00 0.00 O ATOM 23241 C5* G A1087 187.907 137.315 -22.129 0.00 0.00 C ATOM 23242 C4* G A1087 187.199 138.448 -22.879 0.00 0.00 C ATOM 23243 O4* G A1087 186.254 139.127 -22.057 0.00 0.00 O ATOM 23244 C3* G A1087 188.167 139.476 -23.462 0.00 0.00 C ATOM 23245 O3* G A1087 188.648 139.064 -24.739 0.00 0.00 O ATOM 23246 C2* G A1087 187.251 140.702 -23.522 0.00 0.00 C ATOM 23247 O2* G A1087 186.352 140.699 -24.628 0.00 0.00 O ATOM 23248 C1* G A1087 186.386 140.526 -22.272 0.00 0.00 C ATOM 23249 N9 G A1087 186.932 141.203 -21.069 0.00 0.00 N ATOM 23250 C8 G A1087 187.341 140.674 -19.871 0.00 0.00 C ATOM 23251 N7 G A1087 187.597 141.566 -18.952 0.00 0.00 N ATOM 23252 C5 G A1087 187.423 142.790 -19.604 0.00 0.00 C ATOM 23253 C6 G A1087 187.603 144.154 -19.168 0.00 0.00 C ATOM 23254 O6 G A1087 187.909 144.607 -18.065 0.00 0.00 O ATOM 23255 N1 G A1087 187.376 145.073 -20.180 0.00 0.00 N ATOM 23256 C2 G A1087 186.947 144.736 -21.435 0.00 0.00 C ATOM 23257 N2 G A1087 186.836 145.684 -22.335 0.00 0.00 N ATOM 23258 N3 G A1087 186.707 143.496 -21.850 0.00 0.00 N ATOM 23259 C4 G A1087 186.997 142.564 -20.897 0.00 0.00 C ATOM 23260 P G A1088 190.194 139.179 -25.136 0.00 0.00 P ATOM 23261 O1P G A1088 190.395 138.440 -26.405 0.00 0.00 O ATOM 23262 O2P G A1088 190.999 138.685 -24.007 0.00 0.00 O ATOM 23263 O5* G A1088 190.490 140.732 -25.371 0.00 0.00 O ATOM 23264 C5* G A1088 190.068 141.384 -26.552 0.00 0.00 C ATOM 23265 C4* G A1088 190.266 142.897 -26.450 0.00 0.00 C ATOM 23266 O4* G A1088 189.348 143.445 -25.515 0.00 0.00 O ATOM 23267 C3* G A1088 191.660 143.325 -25.994 0.00 0.00 C ATOM 23268 O3* G A1088 192.642 143.229 -27.017 0.00 0.00 O ATOM 23269 C2* G A1088 191.348 144.749 -25.535 0.00 0.00 C ATOM 23270 O2* G A1088 191.164 145.658 -26.613 0.00 0.00 O ATOM 23271 C1* G A1088 189.994 144.520 -24.850 0.00 0.00 C ATOM 23272 N9 G A1088 190.167 144.214 -23.411 0.00 0.00 N ATOM 23273 C8 G A1088 190.136 143.025 -22.725 0.00 0.00 C ATOM 23274 N7 G A1088 190.319 143.152 -21.437 0.00 0.00 N ATOM 23275 C5 G A1088 190.530 144.523 -21.250 0.00 0.00 C ATOM 23276 C6 G A1088 190.837 145.323 -20.086 0.00 0.00 C ATOM 23277 O6 G A1088 190.977 145.006 -18.904 0.00 0.00 O ATOM 23278 N1 G A1088 191.013 146.665 -20.390 0.00 0.00 N ATOM 23279 C2 G A1088 190.888 147.184 -21.650 0.00 0.00 C ATOM 23280 N2 G A1088 191.141 148.450 -21.856 0.00 0.00 N ATOM 23281 N3 G A1088 190.581 146.487 -22.732 0.00 0.00 N ATOM 23282 C4 G A1088 190.426 145.164 -22.466 0.00 0.00 C ATOM 23283 P G A1089 194.192 143.104 -26.658 0.00 0.00 P ATOM 23284 O1P G A1089 194.859 142.893 -27.957 0.00 0.00 O ATOM 23285 O2P G A1089 194.246 141.961 -25.731 0.00 0.00 O ATOM 23286 O5* G A1089 194.660 144.464 -25.970 0.00 0.00 O ATOM 23287 C5* G A1089 194.744 145.657 -26.727 0.00 0.00 C ATOM 23288 C4* G A1089 195.054 146.848 -25.823 0.00 0.00 C ATOM 23289 O4* G A1089 193.984 147.070 -24.912 0.00 0.00 O ATOM 23290 C3* G A1089 196.307 146.662 -24.973 0.00 0.00 C ATOM 23291 O3* G A1089 197.517 146.846 -25.688 0.00 0.00 O ATOM 23292 C2* G A1089 196.045 147.722 -23.906 0.00 0.00 C ATOM 23293 O2* G A1089 196.269 149.052 -24.355 0.00 0.00 O ATOM 23294 C1* G A1089 194.538 147.547 -23.697 0.00 0.00 C ATOM 23295 N9 G A1089 194.291 146.618 -22.574 0.00 0.00 N ATOM 23296 C8 G A1089 193.957 145.288 -22.551 0.00 0.00 C ATOM 23297 N7 G A1089 193.874 144.787 -21.347 0.00 0.00 N ATOM 23298 C5 G A1089 194.201 145.854 -20.502 0.00 0.00 C ATOM 23299 C6 G A1089 194.349 145.964 -19.069 0.00 0.00 C ATOM 23300 O6 G A1089 194.190 145.128 -18.179 0.00 0.00 O ATOM 23301 N1 G A1089 194.777 147.222 -18.673 0.00 0.00 N ATOM 23302 C2 G A1089 194.977 148.270 -19.531 0.00 0.00 C ATOM 23303 N2 G A1089 195.409 149.410 -19.053 0.00 0.00 N ATOM 23304 N3 G A1089 194.823 148.210 -20.844 0.00 0.00 N ATOM 23305 C4 G A1089 194.447 146.974 -21.265 0.00 0.00 C ATOM 23306 P U A1090 198.858 146.127 -25.214 0.00 0.00 P ATOM 23307 O1P U A1090 199.900 146.493 -26.192 0.00 0.00 O ATOM 23308 O2P U A1090 198.531 144.686 -25.159 0.00 0.00 O ATOM 23309 O5* U A1090 199.190 146.672 -23.742 0.00 0.00 O ATOM 23310 C5* U A1090 199.535 148.025 -23.499 0.00 0.00 C ATOM 23311 C4* U A1090 199.548 148.326 -21.991 0.00 0.00 C ATOM 23312 O4* U A1090 198.283 148.109 -21.371 0.00 0.00 O ATOM 23313 C3* U A1090 200.547 147.466 -21.232 0.00 0.00 C ATOM 23314 O3* U A1090 201.872 147.932 -21.425 0.00 0.00 O ATOM 23315 C2* U A1090 199.990 147.596 -19.811 0.00 0.00 C ATOM 23316 O2* U A1090 200.258 148.837 -19.176 0.00 0.00 O ATOM 23317 C1* U A1090 198.484 147.565 -20.067 0.00 0.00 C ATOM 23318 N1 U A1090 197.945 146.182 -19.926 0.00 0.00 N ATOM 23319 C2 U A1090 197.731 145.693 -18.630 0.00 0.00 C ATOM 23320 O2 U A1090 197.952 146.351 -17.614 0.00 0.00 O ATOM 23321 N3 U A1090 197.231 144.410 -18.520 0.00 0.00 N ATOM 23322 C4 U A1090 196.891 143.581 -19.568 0.00 0.00 C ATOM 23323 O4 U A1090 196.446 142.462 -19.354 0.00 0.00 O ATOM 23324 C5 U A1090 197.130 144.156 -20.875 0.00 0.00 C ATOM 23325 C6 U A1090 197.642 145.404 -21.023 0.00 0.00 C ATOM 23326 P U A1091 203.130 146.988 -21.157 0.00 0.00 P ATOM 23327 O1P U A1091 204.333 147.781 -21.501 0.00 0.00 O ATOM 23328 O2P U A1091 202.907 145.721 -21.880 0.00 0.00 O ATOM 23329 O5* U A1091 203.076 146.737 -19.580 0.00 0.00 O ATOM 23330 C5* U A1091 203.350 147.790 -18.673 0.00 0.00 C ATOM 23331 C4* U A1091 203.020 147.360 -17.246 0.00 0.00 C ATOM 23332 O4* U A1091 201.660 146.957 -17.098 0.00 0.00 O ATOM 23333 C3* U A1091 203.867 146.186 -16.772 0.00 0.00 C ATOM 23334 O3* U A1091 205.202 146.569 -16.478 0.00 0.00 O ATOM 23335 C2* U A1091 203.036 145.796 -15.550 0.00 0.00 C ATOM 23336 O2* U A1091 203.184 146.728 -14.486 0.00 0.00 O ATOM 23337 C1* U A1091 201.605 145.960 -16.078 0.00 0.00 C ATOM 23338 N1 U A1091 201.030 144.668 -16.554 0.00 0.00 N ATOM 23339 C2 U A1091 200.488 143.822 -15.584 0.00 0.00 C ATOM 23340 O2 U A1091 200.462 144.103 -14.389 0.00 0.00 O ATOM 23341 N3 U A1091 199.926 142.646 -16.027 0.00 0.00 N ATOM 23342 C4 U A1091 199.867 142.209 -17.327 0.00 0.00 C ATOM 23343 O4 U A1091 199.428 141.093 -17.583 0.00 0.00 O ATOM 23344 C5 U A1091 200.386 143.160 -18.289 0.00 0.00 C ATOM 23345 C6 U A1091 200.960 144.328 -17.890 0.00 0.00 C ATOM 23346 P A A1092 206.421 145.549 -16.703 0.00 0.00 P ATOM 23347 O1P A A1092 207.653 146.182 -16.185 0.00 0.00 O ATOM 23348 O2P A A1092 206.380 145.081 -18.104 0.00 0.00 O ATOM 23349 O5* A A1092 206.060 144.312 -15.745 0.00 0.00 O ATOM 23350 C5* A A1092 206.806 143.109 -15.792 0.00 0.00 C ATOM 23351 C4* A A1092 206.717 142.373 -14.454 0.00 0.00 C ATOM 23352 O4* A A1092 207.347 143.117 -13.422 0.00 0.00 O ATOM 23353 C3* A A1092 205.282 142.102 -14.024 0.00 0.00 C ATOM 23354 O3* A A1092 204.813 140.930 -14.677 0.00 0.00 O ATOM 23355 C2* A A1092 205.472 141.983 -12.506 0.00 0.00 C ATOM 23356 O2* A A1092 205.998 140.712 -12.146 0.00 0.00 O ATOM 23357 C1* A A1092 206.569 143.024 -12.237 0.00 0.00 C ATOM 23358 N9 A A1092 206.077 144.381 -11.876 0.00 0.00 N ATOM 23359 C8 A A1092 205.942 145.494 -12.677 0.00 0.00 C ATOM 23360 N7 A A1092 205.672 146.596 -12.030 0.00 0.00 N ATOM 23361 C5 A A1092 205.640 146.190 -10.697 0.00 0.00 C ATOM 23362 C6 A A1092 205.456 146.866 -9.468 0.00 0.00 C ATOM 23363 N6 A A1092 205.270 148.172 -9.349 0.00 0.00 N ATOM 23364 N1 A A1092 205.473 146.188 -8.317 0.00 0.00 N ATOM 23365 C2 A A1092 205.706 144.883 -8.367 0.00 0.00 C ATOM 23366 N3 A A1092 205.918 144.120 -9.437 0.00 0.00 N ATOM 23367 C4 A A1092 205.864 144.841 -10.593 0.00 0.00 C ATOM 23368 P A A1093 203.322 140.823 -15.218 0.00 0.00 P ATOM 23369 O1P A A1093 203.126 139.490 -15.840 0.00 0.00 O ATOM 23370 O2P A A1093 203.004 142.041 -15.980 0.00 0.00 O ATOM 23371 O5* A A1093 202.486 140.837 -13.873 0.00 0.00 O ATOM 23372 C5* A A1093 202.583 139.789 -12.924 0.00 0.00 C ATOM 23373 C4* A A1093 201.840 140.208 -11.669 0.00 0.00 C ATOM 23374 O4* A A1093 202.541 141.185 -10.903 0.00 0.00 O ATOM 23375 C3* A A1093 200.469 140.797 -11.999 0.00 0.00 C ATOM 23376 O3* A A1093 199.582 139.758 -12.390 0.00 0.00 O ATOM 23377 C2* A A1093 200.218 141.447 -10.653 0.00 0.00 C ATOM 23378 O2* A A1093 199.962 140.431 -9.711 0.00 0.00 O ATOM 23379 C1* A A1093 201.586 142.024 -10.265 0.00 0.00 C ATOM 23380 N9 A A1093 201.855 143.420 -10.698 0.00 0.00 N ATOM 23381 C8 A A1093 202.141 143.880 -11.962 0.00 0.00 C ATOM 23382 N7 A A1093 202.382 145.163 -12.042 0.00 0.00 N ATOM 23383 C5 A A1093 202.227 145.585 -10.718 0.00 0.00 C ATOM 23384 C6 A A1093 202.246 146.850 -10.088 0.00 0.00 C ATOM 23385 N6 A A1093 202.417 148.002 -10.722 0.00 0.00 N ATOM 23386 N1 A A1093 202.071 146.955 -8.768 0.00 0.00 N ATOM 23387 C2 A A1093 201.857 145.842 -8.074 0.00 0.00 C ATOM 23388 N3 A A1093 201.798 144.584 -8.521 0.00 0.00 N ATOM 23389 C4 A A1093 201.966 144.527 -9.880 0.00 0.00 C ATOM 23390 P G A1094 198.351 140.001 -13.383 0.00 0.00 P ATOM 23391 O1P G A1094 198.238 138.770 -14.185 0.00 0.00 O ATOM 23392 O2P G A1094 198.603 141.262 -14.097 0.00 0.00 O ATOM 23393 O5* G A1094 197.133 140.190 -12.333 0.00 0.00 O ATOM 23394 C5* G A1094 195.785 140.518 -12.667 0.00 0.00 C ATOM 23395 C4* G A1094 195.032 141.155 -11.466 0.00 0.00 C ATOM 23396 O4* G A1094 193.765 140.510 -11.302 0.00 0.00 O ATOM 23397 C3* G A1094 195.775 141.107 -10.109 0.00 0.00 C ATOM 23398 O3* G A1094 195.884 142.402 -9.536 0.00 0.00 O ATOM 23399 C2* G A1094 194.882 140.173 -9.300 0.00 0.00 C ATOM 23400 O2* G A1094 194.825 140.503 -7.932 0.00 0.00 O ATOM 23401 C1* G A1094 193.501 140.331 -9.920 0.00 0.00 C ATOM 23402 N9 G A1094 192.607 139.169 -9.647 0.00 0.00 N ATOM 23403 C8 G A1094 192.879 137.830 -9.791 0.00 0.00 C ATOM 23404 N7 G A1094 191.945 137.034 -9.346 0.00 0.00 N ATOM 23405 C5 G A1094 190.953 137.903 -8.895 0.00 0.00 C ATOM 23406 C6 G A1094 189.679 137.641 -8.278 0.00 0.00 C ATOM 23407 O6 G A1094 189.145 136.569 -8.016 0.00 0.00 O ATOM 23408 N1 G A1094 188.997 138.789 -7.912 0.00 0.00 N ATOM 23409 C2 G A1094 189.428 140.048 -8.225 0.00 0.00 C ATOM 23410 N2 G A1094 188.602 141.046 -7.998 0.00 0.00 N ATOM 23411 N3 G A1094 190.610 140.326 -8.782 0.00 0.00 N ATOM 23412 C4 G A1094 191.342 139.212 -9.089 0.00 0.00 C ATOM 23413 P U A1095 197.011 142.728 -8.420 0.00 0.00 P ATOM 23414 O1P U A1095 198.055 141.663 -8.417 0.00 0.00 O ATOM 23415 O2P U A1095 196.363 143.089 -7.145 0.00 0.00 O ATOM 23416 O5* U A1095 197.616 144.045 -9.093 0.00 0.00 O ATOM 23417 C5* U A1095 198.318 145.020 -8.350 0.00 0.00 C ATOM 23418 C4* U A1095 198.581 146.246 -9.234 0.00 0.00 C ATOM 23419 O4* U A1095 199.295 145.860 -10.403 0.00 0.00 O ATOM 23420 C3* U A1095 197.314 146.943 -9.727 0.00 0.00 C ATOM 23421 O3* U A1095 196.743 147.825 -8.772 0.00 0.00 O ATOM 23422 C2* U A1095 197.871 147.656 -10.961 0.00 0.00 C ATOM 23423 O2* U A1095 198.601 148.835 -10.668 0.00 0.00 O ATOM 23424 C1* U A1095 198.880 146.653 -11.504 0.00 0.00 C ATOM 23425 N1 U A1095 198.289 145.841 -12.602 0.00 0.00 N ATOM 23426 C2 U A1095 198.251 146.407 -13.880 0.00 0.00 C ATOM 23427 O2 U A1095 198.613 147.555 -14.119 0.00 0.00 O ATOM 23428 N3 U A1095 197.763 145.620 -14.901 0.00 0.00 N ATOM 23429 C4 U A1095 197.294 144.333 -14.775 0.00 0.00 C ATOM 23430 O4 U A1095 196.911 143.732 -15.774 0.00 0.00 O ATOM 23431 C5 U A1095 197.303 143.838 -13.413 0.00 0.00 C ATOM 23432 C6 U A1095 197.799 144.574 -12.387 0.00 0.00 C ATOM 23433 P C A1096 195.189 148.239 -8.833 0.00 0.00 P ATOM 23434 O1P C A1096 194.866 149.033 -7.631 0.00 0.00 O ATOM 23435 O2P C A1096 194.409 147.029 -9.168 0.00 0.00 O ATOM 23436 O5* C A1096 195.111 149.209 -10.109 0.00 0.00 O ATOM 23437 C5* C A1096 195.629 150.520 -10.116 0.00 0.00 C ATOM 23438 C4* C A1096 195.759 151.013 -11.567 0.00 0.00 C ATOM 23439 O4* C A1096 196.551 150.120 -12.354 0.00 0.00 O ATOM 23440 C3* C A1096 194.438 151.178 -12.316 0.00 0.00 C ATOM 23441 O3* C A1096 193.777 152.388 -11.990 0.00 0.00 O ATOM 23442 C2* C A1096 194.962 151.150 -13.757 0.00 0.00 C ATOM 23443 O2* C A1096 195.629 152.357 -14.107 0.00 0.00 O ATOM 23444 C1* C A1096 196.018 150.049 -13.679 0.00 0.00 C ATOM 23445 N1 C A1096 195.445 148.707 -14.024 0.00 0.00 N ATOM 23446 C2 C A1096 195.390 148.325 -15.376 0.00 0.00 C ATOM 23447 O2 C A1096 195.689 149.103 -16.287 0.00 0.00 O ATOM 23448 N3 C A1096 194.965 147.077 -15.711 0.00 0.00 N ATOM 23449 C4 C A1096 194.593 146.233 -14.754 0.00 0.00 C ATOM 23450 N4 C A1096 194.205 145.030 -15.104 0.00 0.00 N ATOM 23451 C5 C A1096 194.589 146.586 -13.379 0.00 0.00 C ATOM 23452 C6 C A1096 194.996 147.835 -13.058 0.00 0.00 C ATOM 23453 P C A1097 192.237 152.627 -12.379 0.00 0.00 P ATOM 23454 O1P C A1097 191.868 153.963 -11.863 0.00 0.00 O ATOM 23455 O2P C A1097 191.480 151.425 -11.975 0.00 0.00 O ATOM 23456 O5* C A1097 192.234 152.675 -13.988 0.00 0.00 O ATOM 23457 C5* C A1097 192.687 153.795 -14.723 0.00 0.00 C ATOM 23458 C4* C A1097 192.624 153.512 -16.233 0.00 0.00 C ATOM 23459 O4* C A1097 193.384 152.361 -16.611 0.00 0.00 O ATOM 23460 C3* C A1097 191.206 153.269 -16.749 0.00 0.00 C ATOM 23461 O3* C A1097 190.461 154.465 -16.903 0.00 0.00 O ATOM 23462 C2* C A1097 191.528 152.567 -18.073 0.00 0.00 C ATOM 23463 O2* C A1097 192.034 153.444 -19.074 0.00 0.00 O ATOM 23464 C1* C A1097 192.693 151.668 -17.657 0.00 0.00 C ATOM 23465 N1 C A1097 192.247 150.301 -17.238 0.00 0.00 N ATOM 23466 C2 C A1097 192.008 149.334 -18.227 0.00 0.00 C ATOM 23467 O2 C A1097 191.955 149.626 -19.425 0.00 0.00 O ATOM 23468 N3 C A1097 191.820 148.036 -17.873 0.00 0.00 N ATOM 23469 C4 C A1097 191.844 147.695 -16.588 0.00 0.00 C ATOM 23470 N4 C A1097 191.673 146.427 -16.304 0.00 0.00 N ATOM 23471 C5 C A1097 191.988 148.653 -15.543 0.00 0.00 C ATOM 23472 C6 C A1097 192.161 149.946 -15.911 0.00 0.00 C ATOM 23473 P C A1098 188.861 154.475 -16.735 0.00 0.00 P ATOM 23474 O1P C A1098 188.410 155.874 -16.876 0.00 0.00 O ATOM 23475 O2P C A1098 188.521 153.698 -15.526 0.00 0.00 O ATOM 23476 O5* C A1098 188.351 153.648 -18.018 0.00 0.00 O ATOM 23477 C5* C A1098 188.220 154.255 -19.290 0.00 0.00 C ATOM 23478 C4* C A1098 187.886 153.232 -20.389 0.00 0.00 C ATOM 23479 O4* C A1098 188.875 152.200 -20.486 0.00 0.00 O ATOM 23480 C3* C A1098 186.549 152.513 -20.215 0.00 0.00 C ATOM 23481 O3* C A1098 185.411 153.276 -20.581 0.00 0.00 O ATOM 23482 C2* C A1098 186.785 151.313 -21.141 0.00 0.00 C ATOM 23483 O2* C A1098 186.745 151.631 -22.529 0.00 0.00 O ATOM 23484 C1* C A1098 188.234 150.961 -20.813 0.00 0.00 C ATOM 23485 N1 C A1098 188.299 149.967 -19.699 0.00 0.00 N ATOM 23486 C2 C A1098 188.090 148.603 -19.976 0.00 0.00 C ATOM 23487 O2 C A1098 187.770 148.199 -21.099 0.00 0.00 O ATOM 23488 N3 C A1098 188.227 147.686 -18.983 0.00 0.00 N ATOM 23489 C4 C A1098 188.528 148.098 -17.752 0.00 0.00 C ATOM 23490 N4 C A1098 188.657 147.192 -16.815 0.00 0.00 N ATOM 23491 C5 C A1098 188.702 149.468 -17.415 0.00 0.00 C ATOM 23492 C6 C A1098 188.559 150.370 -18.410 0.00 0.00 C ATOM 23493 P G A1099 183.958 152.907 -19.998 0.00 0.00 P ATOM 23494 O1P G A1099 182.967 153.808 -20.624 0.00 0.00 O ATOM 23495 O2P G A1099 184.076 152.834 -18.528 0.00 0.00 O ATOM 23496 O5* G A1099 183.704 151.412 -20.546 0.00 0.00 O ATOM 23497 C5* G A1099 183.374 151.170 -21.902 0.00 0.00 C ATOM 23498 C4* G A1099 183.224 149.670 -22.175 0.00 0.00 C ATOM 23499 O4* G A1099 184.416 148.961 -21.861 0.00 0.00 O ATOM 23500 C3* G A1099 182.087 149.040 -21.379 0.00 0.00 C ATOM 23501 O3* G A1099 180.829 149.287 -21.997 0.00 0.00 O ATOM 23502 C2* G A1099 182.536 147.575 -21.362 0.00 0.00 C ATOM 23503 O2* G A1099 182.268 146.839 -22.547 0.00 0.00 O ATOM 23504 C1* G A1099 184.056 147.730 -21.259 0.00 0.00 C ATOM 23505 N9 G A1099 184.481 147.673 -19.846 0.00 0.00 N ATOM 23506 C8 G A1099 184.858 148.665 -18.975 0.00 0.00 C ATOM 23507 N7 G A1099 185.186 148.231 -17.789 0.00 0.00 N ATOM 23508 C5 G A1099 184.967 146.853 -17.863 0.00 0.00 C ATOM 23509 C6 G A1099 185.079 145.809 -16.885 0.00 0.00 C ATOM 23510 O6 G A1099 185.490 145.863 -15.729 0.00 0.00 O ATOM 23511 N1 G A1099 184.618 144.593 -17.355 0.00 0.00 N ATOM 23512 C2 G A1099 184.173 144.371 -18.624 0.00 0.00 C ATOM 23513 N2 G A1099 183.557 143.244 -18.902 0.00 0.00 N ATOM 23514 N3 G A1099 184.118 145.293 -19.574 0.00 0.00 N ATOM 23515 C4 G A1099 184.516 146.518 -19.121 0.00 0.00 C ATOM 23516 P C A1100 179.502 149.575 -21.132 0.00 0.00 P ATOM 23517 O1P C A1100 178.424 150.047 -22.037 0.00 0.00 O ATOM 23518 O2P C A1100 179.886 150.407 -19.975 0.00 0.00 O ATOM 23519 O5* C A1100 179.156 148.107 -20.569 0.00 0.00 O ATOM 23520 C5* C A1100 178.848 147.005 -21.401 0.00 0.00 C ATOM 23521 C4* C A1100 178.961 145.691 -20.614 0.00 0.00 C ATOM 23522 O4* C A1100 180.294 145.424 -20.167 0.00 0.00 O ATOM 23523 C3* C A1100 178.044 145.636 -19.396 0.00 0.00 C ATOM 23524 O3* C A1100 176.740 145.236 -19.771 0.00 0.00 O ATOM 23525 C2* C A1100 178.764 144.564 -18.587 0.00 0.00 C ATOM 23526 O2* C A1100 178.504 143.267 -19.107 0.00 0.00 O ATOM 23527 C1* C A1100 180.241 144.867 -18.858 0.00 0.00 C ATOM 23528 N1 C A1100 180.871 145.765 -17.838 0.00 0.00 N ATOM 23529 C2 C A1100 181.467 145.172 -16.718 0.00 0.00 C ATOM 23530 O2 C A1100 181.533 143.944 -16.639 0.00 0.00 O ATOM 23531 N3 C A1100 182.024 145.952 -15.754 0.00 0.00 N ATOM 23532 C4 C A1100 182.098 147.265 -15.926 0.00 0.00 C ATOM 23533 N4 C A1100 182.695 147.970 -14.992 0.00 0.00 N ATOM 23534 C5 C A1100 181.609 147.901 -17.104 0.00 0.00 C ATOM 23535 C6 C A1100 180.985 147.124 -18.023 0.00 0.00 C ATOM 23536 P A A1101 175.445 145.740 -18.983 0.00 0.00 P ATOM 23537 O1P A A1101 174.284 145.099 -19.633 0.00 0.00 O ATOM 23538 O2P A A1101 175.520 147.209 -18.875 0.00 0.00 O ATOM 23539 O5* A A1101 175.601 145.112 -17.509 0.00 0.00 O ATOM 23540 C5* A A1101 175.338 143.746 -17.296 0.00 0.00 C ATOM 23541 C4* A A1101 175.415 143.383 -15.811 0.00 0.00 C ATOM 23542 O4* A A1101 174.232 143.697 -15.112 0.00 0.00 O ATOM 23543 C3* A A1101 175.465 141.859 -15.674 0.00 0.00 C ATOM 23544 O3* A A1101 176.633 141.163 -16.100 0.00 0.00 O ATOM 23545 C2* A A1101 174.811 141.522 -14.330 0.00 0.00 C ATOM 23546 O2* A A1101 175.681 141.062 -13.316 0.00 0.00 O ATOM 23547 C1* A A1101 174.225 142.885 -13.949 0.00 0.00 C ATOM 23548 N9 A A1101 172.846 142.816 -13.432 0.00 0.00 N ATOM 23549 C8 A A1101 171.674 142.812 -14.144 0.00 0.00 C ATOM 23550 N7 A A1101 170.597 142.929 -13.413 0.00 0.00 N ATOM 23551 C5 A A1101 171.111 143.036 -12.112 0.00 0.00 C ATOM 23552 C6 A A1101 170.546 143.242 -10.829 0.00 0.00 C ATOM 23553 N6 A A1101 169.252 143.376 -10.592 0.00 0.00 N ATOM 23554 N1 A A1101 171.323 143.316 -9.739 0.00 0.00 N ATOM 23555 C2 A A1101 172.635 143.167 -9.907 0.00 0.00 C ATOM 23556 N3 A A1101 173.312 142.954 -11.035 0.00 0.00 N ATOM 23557 C4 A A1101 172.478 142.920 -12.114 0.00 0.00 C ATOM 23558 P A A1102 178.181 141.536 -15.774 0.00 0.00 P ATOM 23559 O1P A A1102 178.744 141.429 -17.151 0.00 0.00 O ATOM 23560 O2P A A1102 178.617 140.619 -14.693 0.00 0.00 O ATOM 23561 O5* A A1102 178.305 143.101 -15.373 0.00 0.00 O ATOM 23562 C5* A A1102 179.016 143.631 -14.255 0.00 0.00 C ATOM 23563 C4* A A1102 178.072 144.492 -13.393 0.00 0.00 C ATOM 23564 O4* A A1102 177.110 143.672 -12.734 0.00 0.00 O ATOM 23565 C3* A A1102 178.765 145.341 -12.316 0.00 0.00 C ATOM 23566 O3* A A1102 179.144 146.626 -12.801 0.00 0.00 O ATOM 23567 C2* A A1102 177.639 145.423 -11.279 0.00 0.00 C ATOM 23568 O2* A A1102 176.660 146.370 -11.693 0.00 0.00 O ATOM 23569 C1* A A1102 177.011 144.031 -11.366 0.00 0.00 C ATOM 23570 N9 A A1102 177.677 142.975 -10.559 0.00 0.00 N ATOM 23571 C8 A A1102 178.417 141.902 -11.005 0.00 0.00 C ATOM 23572 N7 A A1102 178.722 141.034 -10.083 0.00 0.00 N ATOM 23573 C5 A A1102 178.143 141.566 -8.938 0.00 0.00 C ATOM 23574 C6 A A1102 178.038 141.116 -7.606 0.00 0.00 C ATOM 23575 N6 A A1102 178.573 139.996 -7.152 0.00 0.00 N ATOM 23576 N1 A A1102 177.305 141.803 -6.722 0.00 0.00 N ATOM 23577 C2 A A1102 176.718 142.922 -7.129 0.00 0.00 C ATOM 23578 N3 A A1102 176.742 143.473 -8.340 0.00 0.00 N ATOM 23579 C4 A A1102 177.483 142.736 -9.215 0.00 0.00 C ATOM 23580 P C A1103 180.303 147.493 -12.097 0.00 0.00 P ATOM 23581 O1P C A1103 180.443 148.773 -12.817 0.00 0.00 O ATOM 23582 O2P C A1103 181.471 146.603 -11.948 0.00 0.00 O ATOM 23583 O5* C A1103 179.751 147.833 -10.628 0.00 0.00 O ATOM 23584 C5* C A1103 178.789 148.839 -10.364 0.00 0.00 C ATOM 23585 C4* C A1103 178.540 148.957 -8.850 0.00 0.00 C ATOM 23586 O4* C A1103 177.920 147.783 -8.324 0.00 0.00 O ATOM 23587 C3* C A1103 179.821 149.177 -8.040 0.00 0.00 C ATOM 23588 O3* C A1103 180.289 150.524 -8.077 0.00 0.00 O ATOM 23589 C2* C A1103 179.348 148.686 -6.665 0.00 0.00 C ATOM 23590 O2* C A1103 178.530 149.640 -5.991 0.00 0.00 O ATOM 23591 C1* C A1103 178.451 147.496 -7.029 0.00 0.00 C ATOM 23592 N1 C A1103 179.172 146.183 -7.026 0.00 0.00 N ATOM 23593 C2 C A1103 179.182 145.395 -5.858 0.00 0.00 C ATOM 23594 O2 C A1103 178.727 145.802 -4.787 0.00 0.00 O ATOM 23595 N3 C A1103 179.704 144.141 -5.885 0.00 0.00 N ATOM 23596 C4 C A1103 180.239 143.691 -7.014 0.00 0.00 C ATOM 23597 N4 C A1103 180.736 142.483 -7.016 0.00 0.00 N ATOM 23598 C5 C A1103 180.283 144.455 -8.213 0.00 0.00 C ATOM 23599 C6 C A1103 179.743 145.692 -8.177 0.00 0.00 C ATOM 23600 P G A1104 181.816 150.889 -7.708 0.00 0.00 P ATOM 23601 O1P G A1104 182.055 152.322 -8.007 0.00 0.00 O ATOM 23602 O2P G A1104 182.696 149.909 -8.374 0.00 0.00 O ATOM 23603 O5* G A1104 181.873 150.636 -6.108 0.00 0.00 O ATOM 23604 C5* G A1104 182.981 149.996 -5.482 0.00 0.00 C ATOM 23605 C4* G A1104 182.594 149.402 -4.120 0.00 0.00 C ATOM 23606 O4* G A1104 181.661 148.339 -4.298 0.00 0.00 O ATOM 23607 C3* G A1104 183.787 148.770 -3.403 0.00 0.00 C ATOM 23608 O3* G A1104 184.596 149.696 -2.699 0.00 0.00 O ATOM 23609 C2* G A1104 183.078 147.755 -2.501 0.00 0.00 C ATOM 23610 O2* G A1104 182.453 148.308 -1.354 0.00 0.00 O ATOM 23611 C1* G A1104 181.951 147.275 -3.406 0.00 0.00 C ATOM 23612 N9 G A1104 182.349 146.053 -4.134 0.00 0.00 N ATOM 23613 C8 G A1104 182.690 145.880 -5.450 0.00 0.00 C ATOM 23614 N7 G A1104 183.041 144.660 -5.751 0.00 0.00 N ATOM 23615 C5 G A1104 182.912 143.960 -4.546 0.00 0.00 C ATOM 23616 C6 G A1104 183.145 142.582 -4.194 0.00 0.00 C ATOM 23617 O6 G A1104 183.513 141.638 -4.893 0.00 0.00 O ATOM 23618 N1 G A1104 182.920 142.319 -2.851 0.00 0.00 N ATOM 23619 C2 G A1104 182.495 143.253 -1.950 0.00 0.00 C ATOM 23620 N2 G A1104 182.315 142.893 -0.701 0.00 0.00 N ATOM 23621 N3 G A1104 182.245 144.524 -2.246 0.00 0.00 N ATOM 23622 C4 G A1104 182.481 144.817 -3.557 0.00 0.00 C ATOM 23623 P A A1105 186.124 149.347 -2.340 0.00 0.00 P ATOM 23624 O1P A A1105 186.701 150.497 -1.611 0.00 0.00 O ATOM 23625 O2P A A1105 186.761 148.845 -3.576 0.00 0.00 O ATOM 23626 O5* A A1105 185.973 148.105 -1.325 0.00 0.00 O ATOM 23627 C5* A A1105 185.512 148.286 0.000 0.00 0.00 C ATOM 23628 C4* A A1105 185.286 146.934 0.692 0.00 0.00 C ATOM 23629 O4* A A1105 184.429 146.055 -0.033 0.00 0.00 O ATOM 23630 C3* A A1105 186.577 146.167 0.909 0.00 0.00 C ATOM 23631 O3* A A1105 187.268 146.667 2.018 0.00 0.00 O ATOM 23632 C2* A A1105 186.051 144.752 1.123 0.00 0.00 C ATOM 23633 O2* A A1105 185.414 144.527 2.373 0.00 0.00 O ATOM 23634 C1* A A1105 184.958 144.730 0.067 0.00 0.00 C ATOM 23635 N9 A A1105 185.523 144.252 -1.214 0.00 0.00 N ATOM 23636 C8 A A1105 185.803 144.940 -2.371 0.00 0.00 C ATOM 23637 N7 A A1105 186.204 144.183 -3.356 0.00 0.00 N ATOM 23638 C5 A A1105 186.243 142.906 -2.789 0.00 0.00 C ATOM 23639 C6 A A1105 186.582 141.621 -3.268 0.00 0.00 C ATOM 23640 N6 A A1105 186.938 141.376 -4.522 0.00 0.00 N ATOM 23641 N1 A A1105 186.519 140.562 -2.452 0.00 0.00 N ATOM 23642 C2 A A1105 186.128 140.757 -1.196 0.00 0.00 C ATOM 23643 N3 A A1105 185.764 141.896 -0.615 0.00 0.00 N ATOM 23644 C4 A A1105 185.850 142.945 -1.478 0.00 0.00 C ATOM 23645 P G A1106 188.802 146.345 2.238 0.00 0.00 P ATOM 23646 O1P G A1106 189.211 147.212 3.351 0.00 0.00 O ATOM 23647 O2P G A1106 189.491 146.414 0.933 0.00 0.00 O ATOM 23648 O5* G A1106 188.837 144.815 2.727 0.00 0.00 O ATOM 23649 C5* G A1106 188.410 144.412 4.017 0.00 0.00 C ATOM 23650 C4* G A1106 188.682 142.911 4.179 0.00 0.00 C ATOM 23651 O4* G A1106 187.875 142.195 3.249 0.00 0.00 O ATOM 23652 C3* G A1106 190.130 142.483 3.902 0.00 0.00 C ATOM 23653 O3* G A1106 191.026 142.716 4.976 0.00 0.00 O ATOM 23654 C2* G A1106 189.918 141.002 3.578 0.00 0.00 C ATOM 23655 O2* G A1106 189.682 140.159 4.701 0.00 0.00 O ATOM 23656 C1* G A1106 188.623 141.087 2.765 0.00 0.00 C ATOM 23657 N9 G A1106 188.932 141.184 1.316 0.00 0.00 N ATOM 23658 C8 G A1106 189.019 142.261 0.468 0.00 0.00 C ATOM 23659 N7 G A1106 189.285 141.939 -0.773 0.00 0.00 N ATOM 23660 C5 G A1106 189.426 140.548 -0.747 0.00 0.00 C ATOM 23661 C6 G A1106 189.746 139.578 -1.770 0.00 0.00 C ATOM 23662 O6 G A1106 189.901 139.712 -2.985 0.00 0.00 O ATOM 23663 N1 G A1106 189.926 138.302 -1.258 0.00 0.00 N ATOM 23664 C2 G A1106 189.740 137.976 0.059 0.00 0.00 C ATOM 23665 N2 G A1106 190.033 136.762 0.463 0.00 0.00 N ATOM 23666 N3 G A1106 189.379 138.826 1.011 0.00 0.00 N ATOM 23667 C4 G A1106 189.248 140.099 0.545 0.00 0.00 C ATOM 23668 P C A1107 192.594 142.969 4.725 0.00 0.00 P ATOM 23669 O1P C A1107 193.199 143.343 6.020 0.00 0.00 O ATOM 23670 O2P C A1107 192.734 143.868 3.564 0.00 0.00 O ATOM 23671 O5* C A1107 193.151 141.524 4.327 0.00 0.00 O ATOM 23672 C5* C A1107 193.269 140.499 5.291 0.00 0.00 C ATOM 23673 C4* C A1107 193.777 139.209 4.650 0.00 0.00 C ATOM 23674 O4* C A1107 192.816 138.695 3.715 0.00 0.00 O ATOM 23675 C3* C A1107 195.121 139.332 3.911 0.00 0.00 C ATOM 23676 O3* C A1107 196.300 139.327 4.735 0.00 0.00 O ATOM 23677 C2* C A1107 194.970 138.055 3.067 0.00 0.00 C ATOM 23678 O2* C A1107 195.111 136.898 3.886 0.00 0.00 O ATOM 23679 C1* C A1107 193.506 138.106 2.614 0.00 0.00 C ATOM 23680 N1 C A1107 193.305 138.865 1.335 0.00 0.00 N ATOM 23681 C2 C A1107 193.496 138.204 0.109 0.00 0.00 C ATOM 23682 O2 C A1107 193.821 137.013 0.062 0.00 0.00 O ATOM 23683 N3 C A1107 193.321 138.871 -1.066 0.00 0.00 N ATOM 23684 C4 C A1107 192.935 140.145 -1.042 0.00 0.00 C ATOM 23685 N4 C A1107 192.781 140.766 -2.189 0.00 0.00 N ATOM 23686 C5 C A1107 192.678 140.840 0.173 0.00 0.00 C ATOM 23687 C6 C A1107 192.889 140.177 1.333 0.00 0.00 C ATOM 23688 P G A1108 197.623 140.200 4.358 0.00 0.00 P ATOM 23689 O1P G A1108 198.826 139.686 5.074 0.00 0.00 O ATOM 23690 O2P G A1108 197.299 141.633 4.467 0.00 0.00 O ATOM 23691 O5* G A1108 197.860 139.837 2.814 0.00 0.00 O ATOM 23692 C5* G A1108 198.379 138.566 2.498 0.00 0.00 C ATOM 23693 C4* G A1108 198.496 138.295 1.010 0.00 0.00 C ATOM 23694 O4* G A1108 197.217 138.207 0.385 0.00 0.00 O ATOM 23695 C3* G A1108 199.331 139.232 0.138 0.00 0.00 C ATOM 23696 O3* G A1108 200.727 139.089 0.303 0.00 0.00 O ATOM 23697 C2* G A1108 198.901 138.624 -1.198 0.00 0.00 C ATOM 23698 O2* G A1108 199.444 137.314 -1.332 0.00 0.00 O ATOM 23699 C1* G A1108 197.393 138.481 -0.996 0.00 0.00 C ATOM 23700 N9 G A1108 196.718 139.739 -1.376 0.00 0.00 N ATOM 23701 C8 G A1108 196.165 140.716 -0.586 0.00 0.00 C ATOM 23702 N7 G A1108 195.715 141.745 -1.249 0.00 0.00 N ATOM 23703 C5 G A1108 195.997 141.429 -2.582 0.00 0.00 C ATOM 23704 C6 G A1108 195.780 142.159 -3.796 0.00 0.00 C ATOM 23705 O6 G A1108 195.219 143.240 -3.956 0.00 0.00 O ATOM 23706 N1 G A1108 196.327 141.530 -4.902 0.00 0.00 N ATOM 23707 C2 G A1108 196.952 140.313 -4.877 0.00 0.00 C ATOM 23708 N2 G A1108 197.478 139.833 -5.985 0.00 0.00 N ATOM 23709 N3 G A1108 197.110 139.584 -3.773 0.00 0.00 N ATOM 23710 C4 G A1108 196.624 140.206 -2.659 0.00 0.00 C ATOM 23711 P C A1109 201.762 140.206 -0.199 0.00 0.00 P ATOM 23712 O1P C A1109 203.097 139.543 -0.214 0.00 0.00 O ATOM 23713 O2P C A1109 201.537 141.380 0.664 0.00 0.00 O ATOM 23714 O5* C A1109 201.339 140.665 -1.688 0.00 0.00 O ATOM 23715 C5* C A1109 201.760 140.007 -2.867 0.00 0.00 C ATOM 23716 C4* C A1109 201.632 140.945 -4.076 0.00 0.00 C ATOM 23717 O4* C A1109 200.281 141.330 -4.313 0.00 0.00 O ATOM 23718 C3* C A1109 202.453 142.230 -3.940 0.00 0.00 C ATOM 23719 O3* C A1109 203.815 142.053 -4.320 0.00 0.00 O ATOM 23720 C2* C A1109 201.713 143.099 -4.957 0.00 0.00 C ATOM 23721 O2* C A1109 202.149 142.741 -6.267 0.00 0.00 O ATOM 23722 C1* C A1109 200.247 142.673 -4.790 0.00 0.00 C ATOM 23723 N1 C A1109 199.447 143.565 -3.885 0.00 0.00 N ATOM 23724 C2 C A1109 199.041 144.819 -4.366 0.00 0.00 C ATOM 23725 O2 C A1109 199.483 145.246 -5.431 0.00 0.00 O ATOM 23726 N3 C A1109 198.175 145.579 -3.640 0.00 0.00 N ATOM 23727 C4 C A1109 197.711 145.125 -2.488 0.00 0.00 C ATOM 23728 N4 C A1109 196.877 145.913 -1.844 0.00 0.00 N ATOM 23729 C5 C A1109 198.145 143.891 -1.922 0.00 0.00 C ATOM 23730 C6 C A1109 199.014 143.143 -2.648 0.00 0.00 C ATOM 23731 P A A1110 204.984 142.986 -3.742 0.00 0.00 P ATOM 23732 O1P A A1110 206.102 142.743 -4.685 0.00 0.00 O ATOM 23733 O2P A A1110 205.130 142.655 -2.315 0.00 0.00 O ATOM 23734 O5* A A1110 204.478 144.512 -3.888 0.00 0.00 O ATOM 23735 C5* A A1110 204.634 145.267 -5.076 0.00 0.00 C ATOM 23736 C4* A A1110 203.949 146.641 -4.987 0.00 0.00 C ATOM 23737 O4* A A1110 202.549 146.485 -4.796 0.00 0.00 O ATOM 23738 C3* A A1110 204.437 147.545 -3.857 0.00 0.00 C ATOM 23739 O3* A A1110 205.627 148.241 -4.191 0.00 0.00 O ATOM 23740 C2* A A1110 203.222 148.465 -3.675 0.00 0.00 C ATOM 23741 O2* A A1110 203.125 149.497 -4.656 0.00 0.00 O ATOM 23742 C1* A A1110 202.075 147.475 -3.894 0.00 0.00 C ATOM 23743 N9 A A1110 201.631 146.841 -2.627 0.00 0.00 N ATOM 23744 C8 A A1110 201.966 145.617 -2.096 0.00 0.00 C ATOM 23745 N7 A A1110 201.291 145.292 -1.027 0.00 0.00 N ATOM 23746 C5 A A1110 200.471 146.401 -0.812 0.00 0.00 C ATOM 23747 C6 A A1110 199.506 146.746 0.164 0.00 0.00 C ATOM 23748 N6 A A1110 199.153 145.991 1.194 0.00 0.00 N ATOM 23749 N1 A A1110 198.894 147.932 0.123 0.00 0.00 N ATOM 23750 C2 A A1110 199.213 148.762 -0.862 0.00 0.00 C ATOM 23751 N3 A A1110 200.091 148.582 -1.845 0.00 0.00 N ATOM 23752 C4 A A1110 200.693 147.361 -1.765 0.00 0.00 C ATOM 23753 P A A1111 206.686 148.655 -3.058 0.00 0.00 P ATOM 23754 O1P A A1111 207.820 149.354 -3.694 0.00 0.00 O ATOM 23755 O2P A A1111 206.913 147.468 -2.208 0.00 0.00 O ATOM 23756 O5* A A1111 205.868 149.724 -2.180 0.00 0.00 O ATOM 23757 C5* A A1111 205.589 151.032 -2.629 0.00 0.00 C ATOM 23758 C4* A A1111 204.666 151.726 -1.619 0.00 0.00 C ATOM 23759 O4* A A1111 203.414 151.050 -1.538 0.00 0.00 O ATOM 23760 C3* A A1111 205.224 151.798 -0.196 0.00 0.00 C ATOM 23761 O3* A A1111 206.154 152.858 -0.038 0.00 0.00 O ATOM 23762 C2* A A1111 203.914 151.979 0.580 0.00 0.00 C ATOM 23763 O2* A A1111 203.350 153.279 0.443 0.00 0.00 O ATOM 23764 C1* A A1111 203.009 151.004 -0.177 0.00 0.00 C ATOM 23765 N9 A A1111 203.081 149.624 0.374 0.00 0.00 N ATOM 23766 C8 A A1111 203.863 148.543 0.017 0.00 0.00 C ATOM 23767 N7 A A1111 203.618 147.455 0.697 0.00 0.00 N ATOM 23768 C5 A A1111 202.592 147.838 1.560 0.00 0.00 C ATOM 23769 C6 A A1111 201.833 147.178 2.553 0.00 0.00 C ATOM 23770 N6 A A1111 201.948 145.907 2.901 0.00 0.00 N ATOM 23771 N1 A A1111 200.879 147.829 3.213 0.00 0.00 N ATOM 23772 C2 A A1111 200.690 149.113 2.942 0.00 0.00 C ATOM 23773 N3 A A1111 201.334 149.871 2.061 0.00 0.00 N ATOM 23774 C4 A A1111 202.277 149.159 1.384 0.00 0.00 C ATOM 23775 P C A1112 207.388 152.765 0.999 0.00 0.00 P ATOM 23776 O1P C A1112 208.291 153.899 0.726 0.00 0.00 O ATOM 23777 O2P C A1112 207.906 151.377 0.987 0.00 0.00 O ATOM 23778 O5* C A1112 206.718 152.970 2.440 0.00 0.00 O ATOM 23779 C5* C A1112 206.171 154.186 2.903 0.00 0.00 C ATOM 23780 C4* C A1112 205.400 153.902 4.206 0.00 0.00 C ATOM 23781 O4* C A1112 204.337 152.981 3.937 0.00 0.00 O ATOM 23782 C3* C A1112 206.232 153.293 5.344 0.00 0.00 C ATOM 23783 O3* C A1112 206.870 154.232 6.194 0.00 0.00 O ATOM 23784 C2* C A1112 205.149 152.536 6.119 0.00 0.00 C ATOM 23785 O2* C A1112 204.335 153.352 6.954 0.00 0.00 O ATOM 23786 C1* C A1112 204.225 152.048 5.007 0.00 0.00 C ATOM 23787 N1 C A1112 204.513 150.634 4.607 0.00 0.00 N ATOM 23788 C2 C A1112 203.953 149.608 5.378 0.00 0.00 C ATOM 23789 O2 C A1112 203.279 149.870 6.367 0.00 0.00 O ATOM 23790 N3 C A1112 204.152 148.305 5.042 0.00 0.00 N ATOM 23791 C4 C A1112 204.887 148.018 3.984 0.00 0.00 C ATOM 23792 N4 C A1112 205.019 146.744 3.699 0.00 0.00 N ATOM 23793 C5 C A1112 205.474 149.019 3.158 0.00 0.00 C ATOM 23794 C6 C A1112 205.270 150.313 3.504 0.00 0.00 C ATOM 23795 P C A1113 208.455 154.483 6.138 0.00 0.00 P ATOM 23796 O1P C A1113 208.758 155.654 6.986 0.00 0.00 O ATOM 23797 O2P C A1113 208.870 154.460 4.724 0.00 0.00 O ATOM 23798 O5* C A1113 209.029 153.159 6.858 0.00 0.00 O ATOM 23799 C5* C A1113 208.961 152.982 8.263 0.00 0.00 C ATOM 23800 C4* C A1113 209.702 151.714 8.726 0.00 0.00 C ATOM 23801 O4* C A1113 209.099 150.505 8.266 0.00 0.00 O ATOM 23802 C3* C A1113 211.151 151.684 8.258 0.00 0.00 C ATOM 23803 O3* C A1113 211.988 152.479 9.078 0.00 0.00 O ATOM 23804 C2* C A1113 211.446 150.181 8.302 0.00 0.00 C ATOM 23805 O2* C A1113 211.687 149.643 9.601 0.00 0.00 O ATOM 23806 C1* C A1113 210.113 149.601 7.819 0.00 0.00 C ATOM 23807 N1 C A1113 210.077 149.413 6.334 0.00 0.00 N ATOM 23808 C2 C A1113 210.799 148.352 5.753 0.00 0.00 C ATOM 23809 O2 C A1113 211.464 147.567 6.436 0.00 0.00 O ATOM 23810 N3 C A1113 210.765 148.166 4.407 0.00 0.00 N ATOM 23811 C4 C A1113 210.029 148.983 3.656 0.00 0.00 C ATOM 23812 N4 C A1113 210.020 148.795 2.362 0.00 0.00 N ATOM 23813 C5 C A1113 209.265 150.049 4.199 0.00 0.00 C ATOM 23814 C6 C A1113 209.312 150.232 5.537 0.00 0.00 C ATOM 23815 P C A1114 213.330 153.137 8.493 0.00 0.00 P ATOM 23816 O1P C A1114 213.950 153.952 9.556 0.00 0.00 O ATOM 23817 O2P C A1114 213.040 153.709 7.164 0.00 0.00 O ATOM 23818 O5* C A1114 214.237 151.847 8.263 0.00 0.00 O ATOM 23819 C5* C A1114 214.750 151.102 9.339 0.00 0.00 C ATOM 23820 C4* C A1114 215.607 149.964 8.794 0.00 0.00 C ATOM 23821 O4* C A1114 214.901 149.050 7.945 0.00 0.00 O ATOM 23822 C3* C A1114 216.811 150.457 7.991 0.00 0.00 C ATOM 23823 O3* C A1114 217.846 150.949 8.823 0.00 0.00 O ATOM 23824 C2* C A1114 217.172 149.127 7.339 0.00 0.00 C ATOM 23825 O2* C A1114 217.715 148.301 8.367 0.00 0.00 O ATOM 23826 C1* C A1114 215.791 148.592 6.919 0.00 0.00 C ATOM 23827 N1 C A1114 215.328 149.049 5.558 0.00 0.00 N ATOM 23828 C2 C A1114 215.638 148.281 4.419 0.00 0.00 C ATOM 23829 O2 C A1114 216.388 147.308 4.495 0.00 0.00 O ATOM 23830 N3 C A1114 215.115 148.601 3.197 0.00 0.00 N ATOM 23831 C4 C A1114 214.304 149.652 3.094 0.00 0.00 C ATOM 23832 N4 C A1114 213.809 149.950 1.912 0.00 0.00 N ATOM 23833 C5 C A1114 213.994 150.482 4.209 0.00 0.00 C ATOM 23834 C6 C A1114 214.521 150.153 5.412 0.00 0.00 C ATOM 23835 P U A1115 218.986 151.918 8.260 0.00 0.00 P ATOM 23836 O1P U A1115 219.923 152.124 9.391 0.00 0.00 O ATOM 23837 O2P U A1115 218.315 153.060 7.610 0.00 0.00 O ATOM 23838 O5* U A1115 219.735 151.083 7.096 0.00 0.00 O ATOM 23839 C5* U A1115 220.804 150.202 7.389 0.00 0.00 C ATOM 23840 C4* U A1115 221.437 149.603 6.124 0.00 0.00 C ATOM 23841 O4* U A1115 220.504 148.827 5.380 0.00 0.00 O ATOM 23842 C3* U A1115 222.003 150.623 5.137 0.00 0.00 C ATOM 23843 O3* U A1115 223.247 151.169 5.539 0.00 0.00 O ATOM 23844 C2* U A1115 222.111 149.732 3.892 0.00 0.00 C ATOM 23845 O2* U A1115 223.207 148.825 3.956 0.00 0.00 O ATOM 23846 C1* U A1115 220.821 148.915 3.990 0.00 0.00 C ATOM 23847 N1 U A1115 219.700 149.521 3.215 0.00 0.00 N ATOM 23848 C2 U A1115 219.622 149.255 1.841 0.00 0.00 C ATOM 23849 O2 U A1115 220.513 148.723 1.185 0.00 0.00 O ATOM 23850 N3 U A1115 218.482 149.667 1.182 0.00 0.00 N ATOM 23851 C4 U A1115 217.503 150.469 1.721 0.00 0.00 C ATOM 23852 O4 U A1115 216.603 150.861 1.000 0.00 0.00 O ATOM 23853 C5 U A1115 217.674 150.771 3.125 0.00 0.00 C ATOM 23854 C6 U A1115 218.734 150.294 3.826 0.00 0.00 C ATOM 23855 P U A1116 223.782 152.553 4.919 0.00 0.00 P ATOM 23856 O1P U A1116 225.149 152.782 5.437 0.00 0.00 O ATOM 23857 O2P U A1116 222.726 153.565 5.112 0.00 0.00 O ATOM 23858 O5* U A1116 223.883 152.262 3.337 0.00 0.00 O ATOM 23859 C5* U A1116 224.972 151.537 2.790 0.00 0.00 C ATOM 23860 C4* U A1116 224.833 151.386 1.270 0.00 0.00 C ATOM 23861 O4* U A1116 223.582 150.785 0.923 0.00 0.00 O ATOM 23862 C3* U A1116 224.902 152.717 0.523 0.00 0.00 C ATOM 23863 O3* U A1116 226.234 153.227 0.360 0.00 0.00 O ATOM 23864 C2* U A1116 224.210 152.293 -0.779 0.00 0.00 C ATOM 23865 O2* U A1116 225.056 151.608 -1.696 0.00 0.00 O ATOM 23866 C1* U A1116 223.144 151.294 -0.334 0.00 0.00 C ATOM 23867 N1 U A1116 221.806 151.959 -0.293 0.00 0.00 N ATOM 23868 C2 U A1116 221.259 152.432 -1.499 0.00 0.00 C ATOM 23869 O2 U A1116 221.753 152.238 -2.609 0.00 0.00 O ATOM 23870 N3 U A1116 220.113 153.196 -1.413 0.00 0.00 N ATOM 23871 C4 U A1116 219.375 153.407 -0.271 0.00 0.00 C ATOM 23872 O4 U A1116 218.347 154.061 -0.334 0.00 0.00 O ATOM 23873 C5 U A1116 219.968 152.855 0.928 0.00 0.00 C ATOM 23874 C6 U A1116 221.158 152.202 0.898 0.00 0.00 C ATOM 23875 P A A1117 226.568 154.816 0.251 0.00 0.00 P ATOM 23876 O1P A A1117 227.956 155.018 0.719 0.00 0.00 O ATOM 23877 O2P A A1117 225.447 155.544 0.885 0.00 0.00 O ATOM 23878 O5* A A1117 226.552 155.168 -1.336 0.00 0.00 O ATOM 23879 C5* A A1117 225.361 154.978 -2.061 0.00 0.00 C ATOM 23880 C4* A A1117 225.175 155.701 -3.392 0.00 0.00 C ATOM 23881 O4* A A1117 224.005 155.117 -3.956 0.00 0.00 O ATOM 23882 C3* A A1117 224.979 157.215 -3.327 0.00 0.00 C ATOM 23883 O3* A A1117 226.225 157.860 -3.561 0.00 0.00 O ATOM 23884 C2* A A1117 223.946 157.421 -4.449 0.00 0.00 C ATOM 23885 O2* A A1117 224.523 157.479 -5.747 0.00 0.00 O ATOM 23886 C1* A A1117 223.121 156.130 -4.392 0.00 0.00 C ATOM 23887 N9 A A1117 221.924 156.210 -3.517 0.00 0.00 N ATOM 23888 C8 A A1117 221.807 156.058 -2.153 0.00 0.00 C ATOM 23889 N7 A A1117 220.592 156.203 -1.704 0.00 0.00 N ATOM 23890 C5 A A1117 219.845 156.477 -2.850 0.00 0.00 C ATOM 23891 C6 A A1117 218.486 156.774 -3.101 0.00 0.00 C ATOM 23892 N6 A A1117 217.548 156.851 -2.175 0.00 0.00 N ATOM 23893 N1 A A1117 218.057 156.981 -4.347 0.00 0.00 N ATOM 23894 C2 A A1117 218.932 156.884 -5.338 0.00 0.00 C ATOM 23895 N3 A A1117 220.238 156.628 -5.252 0.00 0.00 N ATOM 23896 C4 A A1117 220.640 156.442 -3.963 0.00 0.00 C ATOM 23897 P U A1118 226.773 159.041 -2.618 0.00 0.00 P ATOM 23898 O1P U A1118 228.219 159.237 -2.894 0.00 0.00 O ATOM 23899 O2P U A1118 226.308 158.802 -1.241 0.00 0.00 O ATOM 23900 O5* U A1118 225.959 160.307 -3.174 0.00 0.00 O ATOM 23901 C5* U A1118 226.183 160.847 -4.460 0.00 0.00 C ATOM 23902 C4* U A1118 225.280 162.061 -4.696 0.00 0.00 C ATOM 23903 O4* U A1118 223.916 161.676 -4.815 0.00 0.00 O ATOM 23904 C3* U A1118 225.341 163.092 -3.570 0.00 0.00 C ATOM 23905 O3* U A1118 226.498 163.911 -3.643 0.00 0.00 O ATOM 23906 C2* U A1118 224.028 163.831 -3.826 0.00 0.00 C ATOM 23907 O2* U A1118 224.114 164.705 -4.945 0.00 0.00 O ATOM 23908 C1* U A1118 223.103 162.668 -4.195 0.00 0.00 C ATOM 23909 N1 U A1118 222.375 162.103 -3.022 0.00 0.00 N ATOM 23910 C2 U A1118 221.227 162.775 -2.594 0.00 0.00 C ATOM 23911 O2 U A1118 220.838 163.828 -3.092 0.00 0.00 O ATOM 23912 N3 U A1118 220.522 162.204 -1.557 0.00 0.00 N ATOM 23913 C4 U A1118 220.840 161.040 -0.898 0.00 0.00 C ATOM 23914 O4 U A1118 220.117 160.642 0.009 0.00 0.00 O ATOM 23915 C5 U A1118 222.051 160.405 -1.374 0.00 0.00 C ATOM 23916 C6 U A1118 222.771 160.935 -2.398 0.00 0.00 C ATOM 23917 P C A1119 227.107 164.592 -2.328 0.00 0.00 P ATOM 23918 O1P C A1119 228.327 165.273 -2.804 0.00 0.00 O ATOM 23919 O2P C A1119 227.224 163.546 -1.286 0.00 0.00 O ATOM 23920 O5* C A1119 225.980 165.682 -1.925 0.00 0.00 O ATOM 23921 C5* C A1119 225.693 166.822 -2.731 0.00 0.00 C ATOM 23922 C4* C A1119 224.453 167.612 -2.256 0.00 0.00 C ATOM 23923 O4* C A1119 223.242 166.853 -2.307 0.00 0.00 O ATOM 23924 C3* C A1119 224.559 168.143 -0.831 0.00 0.00 C ATOM 23925 O3* C A1119 225.374 169.298 -0.743 0.00 0.00 O ATOM 23926 C2* C A1119 223.080 168.394 -0.514 0.00 0.00 C ATOM 23927 O2* C A1119 222.540 169.546 -1.148 0.00 0.00 O ATOM 23928 C1* C A1119 222.426 167.179 -1.173 0.00 0.00 C ATOM 23929 N1 C A1119 222.306 166.024 -0.227 0.00 0.00 N ATOM 23930 C2 C A1119 221.269 166.003 0.727 0.00 0.00 C ATOM 23931 O2 C A1119 220.488 166.949 0.867 0.00 0.00 O ATOM 23932 N3 C A1119 221.120 164.920 1.540 0.00 0.00 N ATOM 23933 C4 C A1119 221.953 163.892 1.415 0.00 0.00 C ATOM 23934 N4 C A1119 221.771 162.857 2.201 0.00 0.00 N ATOM 23935 C5 C A1119 223.036 163.881 0.493 0.00 0.00 C ATOM 23936 C6 C A1119 223.185 164.969 -0.295 0.00 0.00 C ATOM 23937 P C A1120 226.111 169.687 0.629 0.00 0.00 P ATOM 23938 O1P C A1120 227.045 170.793 0.348 0.00 0.00 O ATOM 23939 O2P C A1120 226.582 168.432 1.252 0.00 0.00 O ATOM 23940 O5* C A1120 224.936 170.245 1.559 0.00 0.00 O ATOM 23941 C5* C A1120 224.281 171.473 1.334 0.00 0.00 C ATOM 23942 C4* C A1120 223.107 171.594 2.320 0.00 0.00 C ATOM 23943 O4* C A1120 222.189 170.500 2.194 0.00 0.00 O ATOM 23944 C3* C A1120 223.545 171.622 3.783 0.00 0.00 C ATOM 23945 O3* C A1120 224.007 172.903 4.188 0.00 0.00 O ATOM 23946 C2* C A1120 222.250 171.162 4.463 0.00 0.00 C ATOM 23947 O2* C A1120 221.238 172.158 4.516 0.00 0.00 O ATOM 23948 C1* C A1120 221.733 170.101 3.493 0.00 0.00 C ATOM 23949 N1 C A1120 222.168 168.715 3.872 0.00 0.00 N ATOM 23950 C2 C A1120 221.480 168.021 4.887 0.00 0.00 C ATOM 23951 O2 C A1120 220.609 168.563 5.572 0.00 0.00 O ATOM 23952 N3 C A1120 221.771 166.713 5.143 0.00 0.00 N ATOM 23953 C4 C A1120 222.744 166.121 4.457 0.00 0.00 C ATOM 23954 N4 C A1120 223.004 164.860 4.724 0.00 0.00 N ATOM 23955 C5 C A1120 223.508 166.795 3.461 0.00 0.00 C ATOM 23956 C6 C A1120 223.193 168.085 3.204 0.00 0.00 C ATOM 23957 P U A1121 224.824 173.096 5.559 0.00 0.00 P ATOM 23958 O1P U A1121 225.355 174.472 5.610 0.00 0.00 O ATOM 23959 O2P U A1121 225.717 171.933 5.737 0.00 0.00 O ATOM 23960 O5* U A1121 223.680 172.950 6.663 0.00 0.00 O ATOM 23961 C5* U A1121 222.738 173.955 6.960 0.00 0.00 C ATOM 23962 C4* U A1121 221.845 173.426 8.091 0.00 0.00 C ATOM 23963 O4* U A1121 221.203 172.200 7.726 0.00 0.00 O ATOM 23964 C3* U A1121 222.634 173.114 9.359 0.00 0.00 C ATOM 23965 O3* U A1121 222.967 174.267 10.105 0.00 0.00 O ATOM 23966 C2* U A1121 221.665 172.163 10.062 0.00 0.00 C ATOM 23967 O2* U A1121 220.541 172.808 10.646 0.00 0.00 O ATOM 23968 C1* U A1121 221.146 171.350 8.878 0.00 0.00 C ATOM 23969 N1 U A1121 221.916 170.077 8.708 0.00 0.00 N ATOM 23970 C2 U A1121 221.485 168.950 9.421 0.00 0.00 C ATOM 23971 O2 U A1121 220.592 168.987 10.265 0.00 0.00 O ATOM 23972 N3 U A1121 222.108 167.749 9.125 0.00 0.00 N ATOM 23973 C4 U A1121 223.077 167.548 8.170 0.00 0.00 C ATOM 23974 O4 U A1121 223.454 166.407 7.918 0.00 0.00 O ATOM 23975 C5 U A1121 223.557 168.773 7.565 0.00 0.00 C ATOM 23976 C6 U A1121 222.994 169.976 7.854 0.00 0.00 C ATOM 23977 P U A1122 224.227 174.253 11.096 0.00 0.00 P ATOM 23978 O1P U A1122 224.371 175.597 11.689 0.00 0.00 O ATOM 23979 O2P U A1122 225.355 173.609 10.394 0.00 0.00 O ATOM 23980 O5* U A1122 223.733 173.229 12.223 0.00 0.00 O ATOM 23981 C5* U A1122 222.768 173.584 13.190 0.00 0.00 C ATOM 23982 C4* U A1122 222.469 172.358 14.059 0.00 0.00 C ATOM 23983 O4* U A1122 222.065 171.237 13.272 0.00 0.00 O ATOM 23984 C3* U A1122 223.695 171.909 14.841 0.00 0.00 C ATOM 23985 O3* U A1122 223.884 172.675 16.012 0.00 0.00 O ATOM 23986 C2* U A1122 223.346 170.447 15.124 0.00 0.00 C ATOM 23987 O2* U A1122 222.441 170.279 16.210 0.00 0.00 O ATOM 23988 C1* U A1122 222.610 170.047 13.842 0.00 0.00 C ATOM 23989 N1 U A1122 223.497 169.292 12.907 0.00 0.00 N ATOM 23990 C2 U A1122 223.642 167.916 13.128 0.00 0.00 C ATOM 23991 O2 U A1122 223.168 167.339 14.103 0.00 0.00 O ATOM 23992 N3 U A1122 224.349 167.198 12.183 0.00 0.00 N ATOM 23993 C4 U A1122 224.926 167.712 11.046 0.00 0.00 C ATOM 23994 O4 U A1122 225.495 166.959 10.267 0.00 0.00 O ATOM 23995 C5 U A1122 224.794 169.148 10.914 0.00 0.00 C ATOM 23996 C6 U A1122 224.115 169.889 11.828 0.00 0.00 C ATOM 23997 P U A1123 225.359 173.013 16.528 0.00 0.00 P ATOM 23998 O1P U A1123 225.233 173.634 17.865 0.00 0.00 O ATOM 23999 O2P U A1123 226.067 173.700 15.432 0.00 0.00 O ATOM 24000 O5* U A1123 225.968 171.540 16.684 0.00 0.00 O ATOM 24001 C5* U A1123 225.690 170.766 17.827 0.00 0.00 C ATOM 24002 C4* U A1123 226.485 169.471 17.774 0.00 0.00 C ATOM 24003 O4* U A1123 226.014 168.638 16.717 0.00 0.00 O ATOM 24004 C3* U A1123 227.994 169.626 17.543 0.00 0.00 C ATOM 24005 O3* U A1123 228.750 170.067 18.663 0.00 0.00 O ATOM 24006 C2* U A1123 228.267 168.160 17.207 0.00 0.00 C ATOM 24007 O2* U A1123 228.170 167.339 18.354 0.00 0.00 O ATOM 24008 C1* U A1123 227.075 167.772 16.340 0.00 0.00 C ATOM 24009 N1 U A1123 227.392 167.859 14.887 0.00 0.00 N ATOM 24010 C2 U A1123 227.681 166.667 14.215 0.00 0.00 C ATOM 24011 O2 U A1123 227.630 165.565 14.755 0.00 0.00 O ATOM 24012 N3 U A1123 228.040 166.764 12.886 0.00 0.00 N ATOM 24013 C4 U A1123 228.140 167.929 12.159 0.00 0.00 C ATOM 24014 O4 U A1123 228.481 167.886 10.984 0.00 0.00 O ATOM 24015 C5 U A1123 227.812 169.123 12.913 0.00 0.00 C ATOM 24016 C6 U A1123 227.455 169.065 14.224 0.00 0.00 C ATOM 24017 P G A1124 229.597 171.451 18.628 0.00 0.00 P ATOM 24018 O1P G A1124 229.814 171.912 20.015 0.00 0.00 O ATOM 24019 O2P G A1124 228.950 172.358 17.664 0.00 0.00 O ATOM 24020 O5* G A1124 231.035 171.072 18.004 0.00 0.00 O ATOM 24021 C5* G A1124 232.063 170.412 18.736 0.00 0.00 C ATOM 24022 C4* G A1124 232.146 168.907 18.414 0.00 0.00 C ATOM 24023 O4* G A1124 231.515 168.654 17.170 0.00 0.00 O ATOM 24024 C3* G A1124 233.592 168.396 18.298 0.00 0.00 C ATOM 24025 O3* G A1124 234.051 167.846 19.531 0.00 0.00 O ATOM 24026 C2* G A1124 233.567 167.426 17.100 0.00 0.00 C ATOM 24027 O2* G A1124 233.537 166.045 17.413 0.00 0.00 O ATOM 24028 C1* G A1124 232.228 167.701 16.420 0.00 0.00 C ATOM 24029 N9 G A1124 232.365 168.180 15.037 0.00 0.00 N ATOM 24030 C8 G A1124 232.421 169.459 14.557 0.00 0.00 C ATOM 24031 N7 G A1124 232.640 169.534 13.270 0.00 0.00 N ATOM 24032 C5 G A1124 232.684 168.194 12.862 0.00 0.00 C ATOM 24033 C6 G A1124 232.934 167.577 11.585 0.00 0.00 C ATOM 24034 O6 G A1124 233.263 168.105 10.525 0.00 0.00 O ATOM 24035 N1 G A1124 232.822 166.189 11.608 0.00 0.00 N ATOM 24036 C2 G A1124 232.565 165.477 12.753 0.00 0.00 C ATOM 24037 N2 G A1124 232.549 164.166 12.717 0.00 0.00 N ATOM 24038 N3 G A1124 232.383 166.012 13.954 0.00 0.00 N ATOM 24039 C4 G A1124 232.456 167.371 13.941 0.00 0.00 C ATOM 24040 P U A1125 235.613 167.536 19.799 0.00 0.00 P ATOM 24041 O1P U A1125 235.808 167.447 21.270 0.00 0.00 O ATOM 24042 O2P U A1125 236.390 168.515 18.995 0.00 0.00 O ATOM 24043 O5* U A1125 235.846 166.049 19.196 0.00 0.00 O ATOM 24044 C5* U A1125 236.808 165.763 18.187 0.00 0.00 C ATOM 24045 C4* U A1125 238.020 164.974 18.718 0.00 0.00 C ATOM 24046 O4* U A1125 238.446 165.484 19.979 0.00 0.00 O ATOM 24047 C3* U A1125 237.802 163.466 18.892 0.00 0.00 C ATOM 24048 O3* U A1125 237.982 162.738 17.685 0.00 0.00 O ATOM 24049 C2* U A1125 238.883 163.152 19.931 0.00 0.00 C ATOM 24050 O2* U A1125 240.174 162.962 19.383 0.00 0.00 O ATOM 24051 C1* U A1125 238.961 164.420 20.770 0.00 0.00 C ATOM 24052 N1 U A1125 238.233 164.224 22.053 0.00 0.00 N ATOM 24053 C2 U A1125 238.912 163.563 23.084 0.00 0.00 C ATOM 24054 O2 U A1125 240.096 163.250 23.041 0.00 0.00 O ATOM 24055 N3 U A1125 238.195 163.270 24.223 0.00 0.00 N ATOM 24056 C4 U A1125 236.906 163.681 24.479 0.00 0.00 C ATOM 24057 O4 U A1125 236.417 163.422 25.569 0.00 0.00 O ATOM 24058 C5 U A1125 236.264 164.379 23.384 0.00 0.00 C ATOM 24059 C6 U A1125 236.923 164.615 22.219 0.00 0.00 C ATOM 24060 P U A1126 237.689 161.152 17.565 0.00 0.00 P ATOM 24061 O1P U A1126 236.378 161.017 16.914 0.00 0.00 O ATOM 24062 O2P U A1126 237.925 160.485 18.859 0.00 0.00 O ATOM 24063 O5* U A1126 238.842 160.665 16.524 0.00 0.00 O ATOM 24064 C5* U A1126 238.758 159.417 15.852 0.00 0.00 C ATOM 24065 C4* U A1126 238.378 159.501 14.360 0.00 0.00 C ATOM 24066 O4* U A1126 237.104 160.108 14.228 0.00 0.00 O ATOM 24067 C3* U A1126 239.348 160.253 13.441 0.00 0.00 C ATOM 24068 O3* U A1126 240.388 159.429 12.921 0.00 0.00 O ATOM 24069 C2* U A1126 238.379 160.699 12.335 0.00 0.00 C ATOM 24070 O2* U A1126 238.112 159.692 11.366 0.00 0.00 O ATOM 24071 C1* U A1126 237.073 160.930 13.076 0.00 0.00 C ATOM 24072 N1 U A1126 236.866 162.367 13.397 0.00 0.00 N ATOM 24073 C2 U A1126 236.192 163.147 12.458 0.00 0.00 C ATOM 24074 O2 U A1126 235.955 162.745 11.320 0.00 0.00 O ATOM 24075 N3 U A1126 235.830 164.428 12.846 0.00 0.00 N ATOM 24076 C4 U A1126 236.168 165.019 14.051 0.00 0.00 C ATOM 24077 O4 U A1126 235.755 166.138 14.326 0.00 0.00 O ATOM 24078 C5 U A1126 237.041 164.213 14.878 0.00 0.00 C ATOM 24079 C6 U A1126 237.360 162.939 14.542 0.00 0.00 C ATOM 24080 P G A1127 241.740 160.027 12.267 0.00 0.00 P ATOM 24081 O1P G A1127 242.358 158.946 11.471 0.00 0.00 O ATOM 24082 O2P G A1127 242.524 160.617 13.376 0.00 0.00 O ATOM 24083 O5* G A1127 241.275 161.211 11.253 0.00 0.00 O ATOM 24084 C5* G A1127 240.852 160.968 9.918 0.00 0.00 C ATOM 24085 C4* G A1127 240.241 162.218 9.248 0.00 0.00 C ATOM 24086 O4* G A1127 239.061 162.679 9.907 0.00 0.00 O ATOM 24087 C3* G A1127 241.179 163.422 9.125 0.00 0.00 C ATOM 24088 O3* G A1127 241.945 163.447 7.936 0.00 0.00 O ATOM 24089 C2* G A1127 240.167 164.564 9.056 0.00 0.00 C ATOM 24090 O2* G A1127 239.560 164.672 7.767 0.00 0.00 O ATOM 24091 C1* G A1127 239.120 164.090 10.057 0.00 0.00 C ATOM 24092 N9 G A1127 239.440 164.502 11.447 0.00 0.00 N ATOM 24093 C8 G A1127 239.971 163.799 12.505 0.00 0.00 C ATOM 24094 N7 G A1127 239.988 164.456 13.629 0.00 0.00 N ATOM 24095 C5 G A1127 239.482 165.708 13.292 0.00 0.00 C ATOM 24096 C6 G A1127 239.254 166.880 14.084 0.00 0.00 C ATOM 24097 O6 G A1127 239.356 167.049 15.296 0.00 0.00 O ATOM 24098 N1 G A1127 238.873 167.963 13.322 0.00 0.00 N ATOM 24099 C2 G A1127 238.662 167.931 11.975 0.00 0.00 C ATOM 24100 N2 G A1127 238.349 169.050 11.362 0.00 0.00 N ATOM 24101 N3 G A1127 238.731 166.827 11.233 0.00 0.00 N ATOM 24102 C4 G A1127 239.183 165.753 11.947 0.00 0.00 C ATOM 24103 P C A1128 243.414 162.828 7.833 0.00 0.00 P ATOM 24104 O1P C A1128 243.308 161.533 7.119 0.00 0.00 O ATOM 24105 O2P C A1128 244.048 162.915 9.165 0.00 0.00 O ATOM 24106 O5* C A1128 244.143 163.927 6.893 0.00 0.00 O ATOM 24107 C5* C A1128 243.524 164.451 5.726 0.00 0.00 C ATOM 24108 C4* C A1128 243.252 165.958 5.842 0.00 0.00 C ATOM 24109 O4* C A1128 242.398 166.243 6.946 0.00 0.00 O ATOM 24110 C3* C A1128 244.494 166.836 5.988 0.00 0.00 C ATOM 24111 O3* C A1128 245.125 167.092 4.744 0.00 0.00 O ATOM 24112 C2* C A1128 243.848 168.077 6.591 0.00 0.00 C ATOM 24113 O2* C A1128 243.136 168.849 5.635 0.00 0.00 O ATOM 24114 C1* C A1128 242.787 167.488 7.504 0.00 0.00 C ATOM 24115 N1 C A1128 243.276 167.383 8.917 0.00 0.00 N ATOM 24116 C2 C A1128 243.199 168.524 9.708 0.00 0.00 C ATOM 24117 O2 C A1128 242.814 169.572 9.214 0.00 0.00 O ATOM 24118 N3 C A1128 243.436 168.481 11.048 0.00 0.00 N ATOM 24119 C4 C A1128 243.856 167.343 11.578 0.00 0.00 C ATOM 24120 N4 C A1128 244.149 167.352 12.865 0.00 0.00 N ATOM 24121 C5 C A1128 244.016 166.153 10.804 0.00 0.00 C ATOM 24122 C6 C A1128 243.721 166.215 9.478 0.00 0.00 C ATOM 24123 P C A1129 246.484 167.960 4.644 0.00 0.00 P ATOM 24124 O1P C A1129 247.043 167.711 3.293 0.00 0.00 O ATOM 24125 O2P C A1129 247.307 167.631 5.830 0.00 0.00 O ATOM 24126 O5* C A1129 246.028 169.524 4.745 0.00 0.00 O ATOM 24127 C5* C A1129 246.262 170.339 5.893 0.00 0.00 C ATOM 24128 C4* C A1129 246.732 171.753 5.531 0.00 0.00 C ATOM 24129 O4* C A1129 246.970 172.398 6.766 0.00 0.00 O ATOM 24130 C3* C A1129 248.061 171.736 4.769 0.00 0.00 C ATOM 24131 O3* C A1129 248.004 171.537 3.338 0.00 0.00 O ATOM 24132 C2* C A1129 248.775 172.986 5.316 0.00 0.00 C ATOM 24133 O2* C A1129 248.501 174.075 4.481 0.00 0.00 O ATOM 24134 C1* C A1129 248.117 173.217 6.685 0.00 0.00 C ATOM 24135 N1 C A1129 248.997 172.906 7.852 0.00 0.00 N ATOM 24136 C2 C A1129 249.935 173.866 8.253 0.00 0.00 C ATOM 24137 O2 C A1129 250.034 174.928 7.648 0.00 0.00 O ATOM 24138 N3 C A1129 250.743 173.611 9.312 0.00 0.00 N ATOM 24139 C4 C A1129 250.643 172.461 9.946 0.00 0.00 C ATOM 24140 N4 C A1129 251.561 172.253 10.846 0.00 0.00 N ATOM 24141 C5 C A1129 249.702 171.450 9.599 0.00 0.00 C ATOM 24142 C6 C A1129 248.883 171.723 8.554 0.00 0.00 C ATOM 24143 P A A1130 247.150 172.413 2.238 0.00 0.00 P ATOM 24144 O1P A A1130 248.031 172.639 1.066 0.00 0.00 O ATOM 24145 O2P A A1130 246.477 173.543 2.895 0.00 0.00 O ATOM 24146 O5* A A1130 245.942 171.474 1.728 0.00 0.00 O ATOM 24147 C5* A A1130 244.767 171.285 2.503 0.00 0.00 C ATOM 24148 C4* A A1130 243.550 172.169 2.144 0.00 0.00 C ATOM 24149 O4* A A1130 242.449 171.673 2.901 0.00 0.00 O ATOM 24150 C3* A A1130 243.618 173.693 2.378 0.00 0.00 C ATOM 24151 O3* A A1130 243.898 174.350 1.146 0.00 0.00 O ATOM 24152 C2* A A1130 242.227 174.041 2.915 0.00 0.00 C ATOM 24153 O2* A A1130 241.267 174.361 1.918 0.00 0.00 O ATOM 24154 C1* A A1130 241.773 172.735 3.557 0.00 0.00 C ATOM 24155 N9 A A1130 242.019 172.687 5.014 0.00 0.00 N ATOM 24156 C8 A A1130 242.893 171.885 5.696 0.00 0.00 C ATOM 24157 N7 A A1130 242.657 171.810 6.975 0.00 0.00 N ATOM 24158 C5 A A1130 241.629 172.740 7.173 0.00 0.00 C ATOM 24159 C6 A A1130 240.926 173.243 8.298 0.00 0.00 C ATOM 24160 N6 A A1130 241.163 172.916 9.551 0.00 0.00 N ATOM 24161 N1 A A1130 239.985 174.176 8.162 0.00 0.00 N ATOM 24162 C2 A A1130 239.719 174.606 6.940 0.00 0.00 C ATOM 24163 N3 A A1130 240.279 174.231 5.792 0.00 0.00 N ATOM 24164 C4 A A1130 241.250 173.293 5.981 0.00 0.00 C ATOM 24165 P G A1131 244.539 175.826 1.017 0.00 0.00 P ATOM 24166 O1P G A1131 243.538 176.661 0.311 0.00 0.00 O ATOM 24167 O2P G A1131 245.881 175.698 0.413 0.00 0.00 O ATOM 24168 O5* G A1131 244.686 176.460 2.498 0.00 0.00 O ATOM 24169 C5* G A1131 244.674 177.872 2.644 0.00 0.00 C ATOM 24170 C4* G A1131 244.991 178.364 4.058 0.00 0.00 C ATOM 24171 O4* G A1131 244.015 177.917 4.995 0.00 0.00 O ATOM 24172 C3* G A1131 246.342 177.916 4.606 0.00 0.00 C ATOM 24173 O3* G A1131 247.466 178.616 4.103 0.00 0.00 O ATOM 24174 C2* G A1131 246.096 178.163 6.098 0.00 0.00 C ATOM 24175 O2* G A1131 246.151 179.521 6.499 0.00 0.00 O ATOM 24176 C1* G A1131 244.638 177.782 6.266 0.00 0.00 C ATOM 24177 N9 G A1131 244.560 176.399 6.758 0.00 0.00 N ATOM 24178 C8 G A1131 244.785 175.242 6.062 0.00 0.00 C ATOM 24179 N7 G A1131 244.665 174.174 6.790 0.00 0.00 N ATOM 24180 C5 G A1131 244.354 174.644 8.063 0.00 0.00 C ATOM 24181 C6 G A1131 244.081 173.962 9.297 0.00 0.00 C ATOM 24182 O6 G A1131 244.043 172.769 9.571 0.00 0.00 O ATOM 24183 N1 G A1131 243.772 174.805 10.339 0.00 0.00 N ATOM 24184 C2 G A1131 243.842 176.161 10.264 0.00 0.00 C ATOM 24185 N2 G A1131 243.676 176.814 11.396 0.00 0.00 N ATOM 24186 N3 G A1131 244.095 176.837 9.140 0.00 0.00 N ATOM 24187 C4 G A1131 244.321 176.020 8.061 0.00 0.00 C ATOM 24188 P C A1132 248.954 178.165 4.522 0.00 0.00 P ATOM 24189 O1P C A1132 249.910 178.778 3.578 0.00 0.00 O ATOM 24190 O2P C A1132 248.956 176.702 4.786 0.00 0.00 O ATOM 24191 O5* C A1132 249.089 178.917 5.935 0.00 0.00 O ATOM 24192 C5* C A1132 249.337 180.310 6.045 0.00 0.00 C ATOM 24193 C4* C A1132 249.528 180.651 7.529 0.00 0.00 C ATOM 24194 O4* C A1132 248.407 180.204 8.295 0.00 0.00 O ATOM 24195 C3* C A1132 250.768 179.972 8.105 0.00 0.00 C ATOM 24196 O3* C A1132 251.945 180.742 7.883 0.00 0.00 O ATOM 24197 C2* C A1132 250.371 179.820 9.575 0.00 0.00 C ATOM 24198 O2* C A1132 250.718 180.953 10.366 0.00 0.00 O ATOM 24199 C1* C A1132 248.846 179.741 9.575 0.00 0.00 C ATOM 24200 N1 C A1132 248.388 178.347 9.893 0.00 0.00 N ATOM 24201 C2 C A1132 248.199 177.940 11.230 0.00 0.00 C ATOM 24202 O2 C A1132 248.393 178.711 12.170 0.00 0.00 O ATOM 24203 N3 C A1132 247.788 176.669 11.524 0.00 0.00 N ATOM 24204 C4 C A1132 247.540 175.839 10.516 0.00 0.00 C ATOM 24205 N4 C A1132 247.183 174.603 10.807 0.00 0.00 N ATOM 24206 C5 C A1132 247.683 176.212 9.148 0.00 0.00 C ATOM 24207 C6 C A1132 248.171 177.447 8.885 0.00 0.00 C ATOM 24208 P G A1133 253.418 180.093 7.970 0.00 0.00 P ATOM 24209 O1P G A1133 254.362 181.048 7.353 0.00 0.00 O ATOM 24210 O2P G A1133 253.323 178.714 7.453 0.00 0.00 O ATOM 24211 O5* G A1133 253.757 180.005 9.547 0.00 0.00 O ATOM 24212 C5* G A1133 254.291 181.098 10.272 0.00 0.00 C ATOM 24213 C4* G A1133 254.552 180.746 11.748 0.00 0.00 C ATOM 24214 O4* G A1133 253.333 180.525 12.454 0.00 0.00 O ATOM 24215 C3* G A1133 255.423 179.505 11.955 0.00 0.00 C ATOM 24216 O3* G A1133 256.809 179.774 11.850 0.00 0.00 O ATOM 24217 C2* G A1133 254.997 179.076 13.363 0.00 0.00 C ATOM 24218 O2* G A1133 255.579 179.824 14.422 0.00 0.00 O ATOM 24219 C1* G A1133 253.510 179.418 13.330 0.00 0.00 C ATOM 24220 N9 G A1133 252.740 178.260 12.838 0.00 0.00 N ATOM 24221 C8 G A1133 252.302 177.980 11.576 0.00 0.00 C ATOM 24222 N7 G A1133 251.599 176.885 11.478 0.00 0.00 N ATOM 24223 C5 G A1133 251.677 176.333 12.757 0.00 0.00 C ATOM 24224 C6 G A1133 251.222 175.079 13.290 0.00 0.00 C ATOM 24225 O6 G A1133 250.549 174.204 12.761 0.00 0.00 O ATOM 24226 N1 G A1133 251.641 174.851 14.592 0.00 0.00 N ATOM 24227 C2 G A1133 252.341 175.774 15.321 0.00 0.00 C ATOM 24228 N2 G A1133 252.734 175.459 16.526 0.00 0.00 N ATOM 24229 N3 G A1133 252.733 176.963 14.883 0.00 0.00 N ATOM 24230 C4 G A1133 252.388 177.172 13.585 0.00 0.00 C ATOM 24231 P G A1134 257.844 178.631 11.398 0.00 0.00 P ATOM 24232 O1P G A1134 259.190 179.239 11.340 0.00 0.00 O ATOM 24233 O2P G A1134 257.280 177.956 10.213 0.00 0.00 O ATOM 24234 O5* G A1134 257.804 177.580 12.616 0.00 0.00 O ATOM 24235 C5* G A1134 258.466 177.854 13.837 0.00 0.00 C ATOM 24236 C4* G A1134 258.203 176.739 14.852 0.00 0.00 C ATOM 24237 O4* G A1134 256.799 176.513 14.971 0.00 0.00 O ATOM 24238 C3* G A1134 258.863 175.405 14.499 0.00 0.00 C ATOM 24239 O3* G A1134 260.223 175.323 14.911 0.00 0.00 O ATOM 24240 C2* G A1134 257.952 174.455 15.279 0.00 0.00 C ATOM 24241 O2* G A1134 258.229 174.410 16.674 0.00 0.00 O ATOM 24242 C1* G A1134 256.578 175.118 15.104 0.00 0.00 C ATOM 24243 N9 G A1134 255.844 174.513 13.961 0.00 0.00 N ATOM 24244 C8 G A1134 255.531 174.979 12.707 0.00 0.00 C ATOM 24245 N7 G A1134 254.923 174.094 11.950 0.00 0.00 N ATOM 24246 C5 G A1134 254.833 172.947 12.748 0.00 0.00 C ATOM 24247 C6 G A1134 254.357 171.595 12.515 0.00 0.00 C ATOM 24248 O6 G A1134 253.917 171.037 11.508 0.00 0.00 O ATOM 24249 N1 G A1134 254.461 170.784 13.630 0.00 0.00 N ATOM 24250 C2 G A1134 255.003 171.194 14.810 0.00 0.00 C ATOM 24251 N2 G A1134 255.138 170.337 15.785 0.00 0.00 N ATOM 24252 N3 G A1134 255.488 172.398 15.050 0.00 0.00 N ATOM 24253 C4 G A1134 255.368 173.232 13.985 0.00 0.00 C ATOM 24254 P U A1135 261.321 174.479 14.084 0.00 0.00 P ATOM 24255 O1P U A1135 262.646 174.743 14.680 0.00 0.00 O ATOM 24256 O2P U A1135 261.087 174.733 12.650 0.00 0.00 O ATOM 24257 O5* U A1135 260.961 172.933 14.328 0.00 0.00 O ATOM 24258 C5* U A1135 261.103 172.268 15.563 0.00 0.00 C ATOM 24259 C4* U A1135 260.389 170.906 15.474 0.00 0.00 C ATOM 24260 O4* U A1135 259.006 171.080 15.151 0.00 0.00 O ATOM 24261 C3* U A1135 260.965 169.944 14.428 0.00 0.00 C ATOM 24262 O3* U A1135 262.123 169.251 14.884 0.00 0.00 O ATOM 24263 C2* U A1135 259.744 169.050 14.177 0.00 0.00 C ATOM 24264 O2* U A1135 259.524 168.113 15.223 0.00 0.00 O ATOM 24265 C1* U A1135 258.581 170.047 14.260 0.00 0.00 C ATOM 24266 N1 U A1135 258.152 170.567 12.923 0.00 0.00 N ATOM 24267 C2 U A1135 257.221 169.817 12.182 0.00 0.00 C ATOM 24268 O2 U A1135 256.703 168.774 12.591 0.00 0.00 O ATOM 24269 N3 U A1135 256.849 170.319 10.943 0.00 0.00 N ATOM 24270 C4 U A1135 257.255 171.524 10.412 0.00 0.00 C ATOM 24271 O4 U A1135 256.827 171.878 9.325 0.00 0.00 O ATOM 24272 C5 U A1135 258.166 172.268 11.252 0.00 0.00 C ATOM 24273 C6 U A1135 258.586 171.788 12.449 0.00 0.00 C ATOM 24274 P C A1136 263.026 168.340 13.895 0.00 0.00 P ATOM 24275 O1P C A1136 264.430 168.477 14.336 0.00 0.00 O ATOM 24276 O2P C A1136 262.657 168.648 12.498 0.00 0.00 O ATOM 24277 O5* C A1136 262.551 166.831 14.219 0.00 0.00 O ATOM 24278 C5* C A1136 263.428 165.723 14.049 0.00 0.00 C ATOM 24279 C4* C A1136 263.002 164.491 14.875 0.00 0.00 C ATOM 24280 O4* C A1136 263.269 164.745 16.255 0.00 0.00 O ATOM 24281 C3* C A1136 261.528 164.090 14.764 0.00 0.00 C ATOM 24282 O3* C A1136 261.218 163.089 13.807 0.00 0.00 O ATOM 24283 C2* C A1136 261.230 163.537 16.162 0.00 0.00 C ATOM 24284 O2* C A1136 261.581 162.168 16.337 0.00 0.00 O ATOM 24285 C1* C A1136 262.171 164.334 17.063 0.00 0.00 C ATOM 24286 N1 C A1136 261.497 165.479 17.750 0.00 0.00 N ATOM 24287 C2 C A1136 260.756 165.215 18.912 0.00 0.00 C ATOM 24288 O2 C A1136 260.640 164.063 19.325 0.00 0.00 O ATOM 24289 N3 C A1136 260.176 166.241 19.598 0.00 0.00 N ATOM 24290 C4 C A1136 260.316 167.480 19.155 0.00 0.00 C ATOM 24291 N4 C A1136 259.736 168.422 19.867 0.00 0.00 N ATOM 24292 C5 C A1136 261.089 167.805 18.003 0.00 0.00 C ATOM 24293 C6 C A1136 261.662 166.777 17.330 0.00 0.00 C ATOM 24294 P C A1137 261.329 163.315 12.225 0.00 0.00 P ATOM 24295 O1P C A1137 260.597 162.218 11.570 0.00 0.00 O ATOM 24296 O2P C A1137 262.739 163.574 11.871 0.00 0.00 O ATOM 24297 O5* C A1137 260.477 164.666 12.043 0.00 0.00 O ATOM 24298 C5* C A1137 259.121 164.716 12.448 0.00 0.00 C ATOM 24299 C4* C A1137 258.264 165.392 11.387 0.00 0.00 C ATOM 24300 O4* C A1137 258.598 166.768 11.282 0.00 0.00 O ATOM 24301 C3* C A1137 258.358 164.767 10.003 0.00 0.00 C ATOM 24302 O3* C A1137 257.544 163.607 9.975 0.00 0.00 O ATOM 24303 C2* C A1137 257.868 165.964 9.170 0.00 0.00 C ATOM 24304 O2* C A1137 256.457 166.130 9.148 0.00 0.00 O ATOM 24305 C1* C A1137 258.381 167.180 9.944 0.00 0.00 C ATOM 24306 N1 C A1137 259.600 167.810 9.354 0.00 0.00 N ATOM 24307 C2 C A1137 259.425 168.829 8.410 0.00 0.00 C ATOM 24308 O2 C A1137 258.296 169.122 8.024 0.00 0.00 O ATOM 24309 N3 C A1137 260.505 169.495 7.915 0.00 0.00 N ATOM 24310 C4 C A1137 261.716 169.177 8.341 0.00 0.00 C ATOM 24311 N4 C A1137 262.707 169.881 7.838 0.00 0.00 N ATOM 24312 C5 C A1137 261.949 168.142 9.293 0.00 0.00 C ATOM 24313 C6 C A1137 260.866 167.484 9.779 0.00 0.00 C ATOM 24314 P G A1138 257.447 162.638 8.699 0.00 0.00 P ATOM 24315 O1P G A1138 258.731 161.933 8.518 0.00 0.00 O ATOM 24316 O2P G A1138 256.868 163.430 7.589 0.00 0.00 O ATOM 24317 O5* G A1138 256.340 161.576 9.204 0.00 0.00 O ATOM 24318 C5* G A1138 255.051 162.023 9.585 0.00 0.00 C ATOM 24319 C4* G A1138 254.368 161.042 10.550 0.00 0.00 C ATOM 24320 O4* G A1138 255.223 160.788 11.658 0.00 0.00 O ATOM 24321 C3* G A1138 253.080 161.625 11.143 0.00 0.00 C ATOM 24322 O3* G A1138 251.913 161.365 10.375 0.00 0.00 O ATOM 24323 C2* G A1138 253.022 160.976 12.533 0.00 0.00 C ATOM 24324 O2* G A1138 252.381 159.710 12.564 0.00 0.00 O ATOM 24325 C1* G A1138 254.485 160.693 12.864 0.00 0.00 C ATOM 24326 N9 G A1138 255.074 161.594 13.890 0.00 0.00 N ATOM 24327 C8 G A1138 255.601 161.237 15.107 0.00 0.00 C ATOM 24328 N7 G A1138 256.234 162.195 15.725 0.00 0.00 N ATOM 24329 C5 G A1138 256.078 163.297 14.881 0.00 0.00 C ATOM 24330 C6 G A1138 256.553 164.655 14.981 0.00 0.00 C ATOM 24331 O6 G A1138 257.296 165.169 15.810 0.00 0.00 O ATOM 24332 N1 G A1138 256.071 165.489 13.987 0.00 0.00 N ATOM 24333 C2 G A1138 255.282 165.047 12.966 0.00 0.00 C ATOM 24334 N2 G A1138 255.035 165.900 12.001 0.00 0.00 N ATOM 24335 N3 G A1138 254.888 163.790 12.800 0.00 0.00 N ATOM 24336 C4 G A1138 255.302 162.952 13.794 0.00 0.00 C ATOM 24337 P G A1139 251.576 162.225 9.068 0.00 0.00 P ATOM 24338 O1P G A1139 252.038 161.467 7.884 0.00 0.00 O ATOM 24339 O2P G A1139 251.989 163.625 9.280 0.00 0.00 O ATOM 24340 O5* G A1139 249.972 162.140 8.955 0.00 0.00 O ATOM 24341 C5* G A1139 249.127 162.183 10.097 0.00 0.00 C ATOM 24342 C4* G A1139 249.333 163.418 10.982 0.00 0.00 C ATOM 24343 O4* G A1139 248.869 164.596 10.354 0.00 0.00 O ATOM 24344 C3* G A1139 248.526 163.312 12.268 0.00 0.00 C ATOM 24345 O3* G A1139 249.216 162.446 13.162 0.00 0.00 O ATOM 24346 C2* G A1139 248.356 164.798 12.652 0.00 0.00 C ATOM 24347 O2* G A1139 249.258 165.260 13.634 0.00 0.00 O ATOM 24348 C1* G A1139 248.716 165.562 11.375 0.00 0.00 C ATOM 24349 N9 G A1139 247.782 166.642 10.986 0.00 0.00 N ATOM 24350 C8 G A1139 247.165 166.849 9.778 0.00 0.00 C ATOM 24351 N7 G A1139 246.604 168.024 9.656 0.00 0.00 N ATOM 24352 C5 G A1139 246.863 168.652 10.877 0.00 0.00 C ATOM 24353 C6 G A1139 246.557 169.972 11.372 0.00 0.00 C ATOM 24354 O6 G A1139 245.934 170.899 10.864 0.00 0.00 O ATOM 24355 N1 G A1139 247.071 170.217 12.631 0.00 0.00 N ATOM 24356 C2 G A1139 247.684 169.275 13.399 0.00 0.00 C ATOM 24357 N2 G A1139 248.022 169.603 14.624 0.00 0.00 N ATOM 24358 N3 G A1139 248.004 168.058 12.968 0.00 0.00 N ATOM 24359 C4 G A1139 247.567 167.798 11.701 0.00 0.00 C ATOM 24360 P C A1140 248.711 162.174 14.660 0.00 0.00 P ATOM 24361 O1P C A1140 248.837 160.723 14.934 0.00 0.00 O ATOM 24362 O2P C A1140 247.410 162.851 14.838 0.00 0.00 O ATOM 24363 O5* C A1140 249.831 162.992 15.486 0.00 0.00 O ATOM 24364 C5* C A1140 250.813 162.339 16.276 0.00 0.00 C ATOM 24365 C4* C A1140 251.894 163.305 16.797 0.00 0.00 C ATOM 24366 O4* C A1140 252.815 163.701 15.781 0.00 0.00 O ATOM 24367 C3* C A1140 251.355 164.614 17.358 0.00 0.00 C ATOM 24368 O3* C A1140 250.791 164.511 18.648 0.00 0.00 O ATOM 24369 C2* C A1140 252.627 165.465 17.343 0.00 0.00 C ATOM 24370 O2* C A1140 253.544 165.116 18.374 0.00 0.00 O ATOM 24371 C1* C A1140 253.260 165.043 16.022 0.00 0.00 C ATOM 24372 N1 C A1140 252.928 165.971 14.887 0.00 0.00 N ATOM 24373 C2 C A1140 253.550 167.233 14.806 0.00 0.00 C ATOM 24374 O2 C A1140 254.267 167.657 15.711 0.00 0.00 O ATOM 24375 N3 C A1140 253.414 168.006 13.687 0.00 0.00 N ATOM 24376 C4 C A1140 252.712 167.533 12.661 0.00 0.00 C ATOM 24377 N4 C A1140 252.677 168.245 11.555 0.00 0.00 N ATOM 24378 C5 C A1140 252.100 166.250 12.676 0.00 0.00 C ATOM 24379 C6 C A1140 252.209 165.514 13.809 0.00 0.00 C ATOM 24380 P C A1141 249.801 165.655 19.174 0.00 0.00 P ATOM 24381 O1P C A1141 249.421 165.325 20.563 0.00 0.00 O ATOM 24382 O2P C A1141 248.770 165.844 18.134 0.00 0.00 O ATOM 24383 O5* C A1141 250.719 166.979 19.179 0.00 0.00 O ATOM 24384 C5* C A1141 251.577 167.313 20.255 0.00 0.00 C ATOM 24385 C4* C A1141 251.926 168.809 20.194 0.00 0.00 C ATOM 24386 O4* C A1141 252.701 169.155 19.047 0.00 0.00 O ATOM 24387 C3* C A1141 250.673 169.678 20.139 0.00 0.00 C ATOM 24388 O3* C A1141 250.066 169.797 21.415 0.00 0.00 O ATOM 24389 C2* C A1141 251.246 170.974 19.557 0.00 0.00 C ATOM 24390 O2* C A1141 251.919 171.795 20.495 0.00 0.00 O ATOM 24391 C1* C A1141 252.320 170.459 18.598 0.00 0.00 C ATOM 24392 N1 C A1141 251.835 170.444 17.187 0.00 0.00 N ATOM 24393 C2 C A1141 251.910 171.618 16.414 0.00 0.00 C ATOM 24394 O2 C A1141 252.283 172.692 16.899 0.00 0.00 O ATOM 24395 N3 C A1141 251.556 171.588 15.100 0.00 0.00 N ATOM 24396 C4 C A1141 251.137 170.445 14.569 0.00 0.00 C ATOM 24397 N4 C A1141 250.831 170.454 13.293 0.00 0.00 N ATOM 24398 C5 C A1141 251.005 169.241 15.322 0.00 0.00 C ATOM 24399 C6 C A1141 251.347 169.288 16.630 0.00 0.00 C ATOM 24400 P G A1142 248.492 170.079 21.560 0.00 0.00 P ATOM 24401 O1P G A1142 248.127 169.956 22.986 0.00 0.00 O ATOM 24402 O2P G A1142 247.777 169.304 20.530 0.00 0.00 O ATOM 24403 O5* G A1142 248.418 171.623 21.146 0.00 0.00 O ATOM 24404 C5* G A1142 248.779 172.638 22.060 0.00 0.00 C ATOM 24405 C4* G A1142 248.749 173.987 21.347 0.00 0.00 C ATOM 24406 O4* G A1142 249.604 173.942 20.204 0.00 0.00 O ATOM 24407 C3* G A1142 247.349 174.357 20.865 0.00 0.00 C ATOM 24408 O3* G A1142 246.551 174.986 21.859 0.00 0.00 O ATOM 24409 C2* G A1142 247.707 175.289 19.709 0.00 0.00 C ATOM 24410 O2* G A1142 248.021 176.618 20.108 0.00 0.00 O ATOM 24411 C1* G A1142 248.994 174.687 19.157 0.00 0.00 C ATOM 24412 N9 G A1142 248.692 173.893 17.940 0.00 0.00 N ATOM 24413 C8 G A1142 248.456 172.551 17.775 0.00 0.00 C ATOM 24414 N7 G A1142 248.254 172.189 16.531 0.00 0.00 N ATOM 24415 C5 G A1142 248.277 173.397 15.826 0.00 0.00 C ATOM 24416 C6 G A1142 248.038 173.701 14.438 0.00 0.00 C ATOM 24417 O6 G A1142 247.781 172.929 13.510 0.00 0.00 O ATOM 24418 N1 G A1142 248.078 175.070 14.164 0.00 0.00 N ATOM 24419 C2 G A1142 248.278 176.026 15.122 0.00 0.00 C ATOM 24420 N2 G A1142 248.220 177.293 14.779 0.00 0.00 N ATOM 24421 N3 G A1142 248.509 175.772 16.406 0.00 0.00 N ATOM 24422 C4 G A1142 248.503 174.440 16.696 0.00 0.00 C ATOM 24423 P G A1143 244.942 174.909 21.824 0.00 0.00 P ATOM 24424 O1P G A1143 244.413 175.787 22.887 0.00 0.00 O ATOM 24425 O2P G A1143 244.569 173.482 21.789 0.00 0.00 O ATOM 24426 O5* G A1143 244.562 175.549 20.393 0.00 0.00 O ATOM 24427 C5* G A1143 244.635 176.936 20.127 0.00 0.00 C ATOM 24428 C4* G A1143 244.504 177.203 18.616 0.00 0.00 C ATOM 24429 O4* G A1143 245.513 176.540 17.868 0.00 0.00 O ATOM 24430 C3* G A1143 243.171 176.765 18.026 0.00 0.00 C ATOM 24431 O3* G A1143 242.204 177.783 18.178 0.00 0.00 O ATOM 24432 C2* G A1143 243.554 176.464 16.570 0.00 0.00 C ATOM 24433 O2* G A1143 243.746 177.602 15.739 0.00 0.00 O ATOM 24434 C1* G A1143 244.938 175.863 16.762 0.00 0.00 C ATOM 24435 N9 G A1143 244.888 174.379 16.884 0.00 0.00 N ATOM 24436 C8 G A1143 244.939 173.533 17.970 0.00 0.00 C ATOM 24437 N7 G A1143 244.969 172.266 17.654 0.00 0.00 N ATOM 24438 C5 G A1143 244.913 172.253 16.260 0.00 0.00 C ATOM 24439 C6 G A1143 244.948 171.184 15.292 0.00 0.00 C ATOM 24440 O6 G A1143 245.064 169.971 15.439 0.00 0.00 O ATOM 24441 N1 G A1143 244.841 171.624 13.982 0.00 0.00 N ATOM 24442 C2 G A1143 244.796 172.945 13.642 0.00 0.00 C ATOM 24443 N2 G A1143 244.928 173.266 12.386 0.00 0.00 N ATOM 24444 N3 G A1143 244.803 173.959 14.497 0.00 0.00 N ATOM 24445 C4 G A1143 244.843 173.548 15.795 0.00 0.00 C ATOM 24446 P G A1144 240.644 177.438 18.156 0.00 0.00 P ATOM 24447 O1P G A1144 239.895 178.691 18.379 0.00 0.00 O ATOM 24448 O2P G A1144 240.421 176.261 19.019 0.00 0.00 O ATOM 24449 O5* G A1144 240.441 176.969 16.638 0.00 0.00 O ATOM 24450 C5* G A1144 240.357 177.896 15.577 0.00 0.00 C ATOM 24451 C4* G A1144 240.149 177.138 14.264 0.00 0.00 C ATOM 24452 O4* G A1144 241.281 176.316 13.973 0.00 0.00 O ATOM 24453 C3* G A1144 238.914 176.234 14.300 0.00 0.00 C ATOM 24454 O3* G A1144 237.708 176.935 14.039 0.00 0.00 O ATOM 24455 C2* G A1144 239.297 175.205 13.236 0.00 0.00 C ATOM 24456 O2* G A1144 239.172 175.654 11.894 0.00 0.00 O ATOM 24457 C1* G A1144 240.804 175.077 13.464 0.00 0.00 C ATOM 24458 N9 G A1144 241.162 173.944 14.352 0.00 0.00 N ATOM 24459 C8 G A1144 241.113 173.810 15.718 0.00 0.00 C ATOM 24460 N7 G A1144 241.455 172.623 16.147 0.00 0.00 N ATOM 24461 C5 G A1144 241.706 171.891 14.986 0.00 0.00 C ATOM 24462 C6 G A1144 241.981 170.491 14.752 0.00 0.00 C ATOM 24463 O6 G A1144 242.057 169.558 15.543 0.00 0.00 O ATOM 24464 N1 G A1144 242.138 170.177 13.406 0.00 0.00 N ATOM 24465 C2 G A1144 241.954 171.092 12.405 0.00 0.00 C ATOM 24466 N2 G A1144 241.462 170.605 11.306 0.00 0.00 N ATOM 24467 N3 G A1144 241.660 172.375 12.584 0.00 0.00 N ATOM 24468 C4 G A1144 241.565 172.719 13.894 0.00 0.00 C ATOM 24469 P A A1145 236.318 176.486 14.725 0.00 0.00 P ATOM 24470 O1P A A1145 235.933 177.516 15.711 0.00 0.00 O ATOM 24471 O2P A A1145 236.445 175.076 15.154 0.00 0.00 O ATOM 24472 O5* A A1145 235.252 176.566 13.512 0.00 0.00 O ATOM 24473 C5* A A1145 234.235 175.592 13.341 0.00 0.00 C ATOM 24474 C4* A A1145 234.524 174.737 12.103 0.00 0.00 C ATOM 24475 O4* A A1145 235.744 174.032 12.262 0.00 0.00 O ATOM 24476 C3* A A1145 233.410 173.715 11.824 0.00 0.00 C ATOM 24477 O3* A A1145 232.447 174.286 10.939 0.00 0.00 O ATOM 24478 C2* A A1145 234.190 172.459 11.390 0.00 0.00 C ATOM 24479 O2* A A1145 234.605 172.372 10.047 0.00 0.00 O ATOM 24480 C1* A A1145 235.505 172.650 12.117 0.00 0.00 C ATOM 24481 N9 A A1145 235.634 171.974 13.418 0.00 0.00 N ATOM 24482 C8 A A1145 234.730 171.639 14.394 0.00 0.00 C ATOM 24483 N7 A A1145 235.247 170.965 15.394 0.00 0.00 N ATOM 24484 C5 A A1145 236.602 170.858 15.048 0.00 0.00 C ATOM 24485 C6 A A1145 237.764 170.240 15.585 0.00 0.00 C ATOM 24486 N6 A A1145 237.890 169.467 16.646 0.00 0.00 N ATOM 24487 N1 A A1145 238.910 170.285 14.902 0.00 0.00 N ATOM 24488 C2 A A1145 238.952 170.922 13.746 0.00 0.00 C ATOM 24489 N3 A A1145 237.960 171.480 13.096 0.00 0.00 N ATOM 24490 C4 A A1145 236.817 171.451 13.830 0.00 0.00 C ATOM 24491 P A A1146 231.552 173.443 9.901 0.00 0.00 P ATOM 24492 O1P A A1146 230.362 174.182 9.455 0.00 0.00 O ATOM 24493 O2P A A1146 231.348 172.051 10.334 0.00 0.00 O ATOM 24494 O5* A A1146 232.510 173.345 8.633 0.00 0.00 O ATOM 24495 C5* A A1146 232.870 174.505 7.906 0.00 0.00 C ATOM 24496 C4* A A1146 233.960 174.224 6.862 0.00 0.00 C ATOM 24497 O4* A A1146 235.264 174.249 7.430 0.00 0.00 O ATOM 24498 C3* A A1146 233.870 172.855 6.197 0.00 0.00 C ATOM 24499 O3* A A1146 232.809 172.761 5.261 0.00 0.00 O ATOM 24500 C2* A A1146 235.266 172.779 5.568 0.00 0.00 C ATOM 24501 O2* A A1146 235.358 173.502 4.346 0.00 0.00 O ATOM 24502 C1* A A1146 236.151 173.519 6.583 0.00 0.00 C ATOM 24503 N9 A A1146 237.024 172.620 7.386 0.00 0.00 N ATOM 24504 C8 A A1146 237.179 172.595 8.750 0.00 0.00 C ATOM 24505 N7 A A1146 237.965 171.654 9.199 0.00 0.00 N ATOM 24506 C5 A A1146 238.459 171.078 8.028 0.00 0.00 C ATOM 24507 C6 A A1146 239.430 170.083 7.762 0.00 0.00 C ATOM 24508 N6 A A1146 240.050 169.388 8.702 0.00 0.00 N ATOM 24509 N1 A A1146 239.804 169.820 6.505 0.00 0.00 N ATOM 24510 C2 A A1146 239.216 170.503 5.530 0.00 0.00 C ATOM 24511 N3 A A1146 238.276 171.439 5.624 0.00 0.00 N ATOM 24512 C4 A A1146 237.935 171.693 6.919 0.00 0.00 C ATOM 24513 P C A1147 232.023 171.384 5.031 0.00 0.00 P ATOM 24514 O1P C A1147 231.087 171.581 3.913 0.00 0.00 O ATOM 24515 O2P C A1147 231.513 170.955 6.362 0.00 0.00 O ATOM 24516 O5* C A1147 233.199 170.385 4.532 0.00 0.00 O ATOM 24517 C5* C A1147 233.800 170.493 3.242 0.00 0.00 C ATOM 24518 C4* C A1147 234.962 169.494 3.049 0.00 0.00 C ATOM 24519 O4* C A1147 236.039 169.770 3.939 0.00 0.00 O ATOM 24520 C3* C A1147 234.549 168.040 3.268 0.00 0.00 C ATOM 24521 O3* C A1147 234.074 167.433 2.073 0.00 0.00 O ATOM 24522 C2* C A1147 235.840 167.400 3.789 0.00 0.00 C ATOM 24523 O2* C A1147 236.718 166.945 2.777 0.00 0.00 O ATOM 24524 C1* C A1147 236.554 168.557 4.478 0.00 0.00 C ATOM 24525 N1 C A1147 236.395 168.485 5.955 0.00 0.00 N ATOM 24526 C2 C A1147 237.264 167.659 6.686 0.00 0.00 C ATOM 24527 O2 C A1147 238.109 166.959 6.133 0.00 0.00 O ATOM 24528 N3 C A1147 237.159 167.582 8.033 0.00 0.00 N ATOM 24529 C4 C A1147 236.207 168.274 8.632 0.00 0.00 C ATOM 24530 N4 C A1147 236.091 168.091 9.914 0.00 0.00 N ATOM 24531 C5 C A1147 235.274 169.097 7.943 0.00 0.00 C ATOM 24532 C6 C A1147 235.402 169.180 6.601 0.00 0.00 C ATOM 24533 P U A1148 232.978 166.266 2.135 0.00 0.00 P ATOM 24534 O1P U A1148 232.632 165.925 0.730 0.00 0.00 O ATOM 24535 O2P U A1148 231.931 166.638 3.104 0.00 0.00 O ATOM 24536 O5* U A1148 233.831 165.069 2.787 0.00 0.00 O ATOM 24537 C5* U A1148 234.639 164.229 1.992 0.00 0.00 C ATOM 24538 C4* U A1148 235.345 163.173 2.833 0.00 0.00 C ATOM 24539 O4* U A1148 236.208 163.754 3.809 0.00 0.00 O ATOM 24540 C3* U A1148 234.339 162.327 3.602 0.00 0.00 C ATOM 24541 O3* U A1148 233.689 161.316 2.849 0.00 0.00 O ATOM 24542 C2* U A1148 235.258 161.761 4.672 0.00 0.00 C ATOM 24543 O2* U A1148 236.056 160.671 4.219 0.00 0.00 O ATOM 24544 C1* U A1148 236.242 162.884 4.941 0.00 0.00 C ATOM 24545 N1 U A1148 235.955 163.550 6.241 0.00 0.00 N ATOM 24546 C2 U A1148 236.526 162.994 7.392 0.00 0.00 C ATOM 24547 O2 U A1148 237.273 162.018 7.361 0.00 0.00 O ATOM 24548 N3 U A1148 236.203 163.590 8.598 0.00 0.00 N ATOM 24549 C4 U A1148 235.451 164.735 8.760 0.00 0.00 C ATOM 24550 O4 U A1148 235.303 165.217 9.880 0.00 0.00 O ATOM 24551 C5 U A1148 234.878 165.238 7.527 0.00 0.00 C ATOM 24552 C6 U A1148 235.114 164.635 6.331 0.00 0.00 C ATOM 24553 P C A1149 232.316 160.678 3.384 0.00 0.00 P ATOM 24554 O1P C A1149 231.998 159.540 2.509 0.00 0.00 O ATOM 24555 O2P C A1149 231.378 161.810 3.496 0.00 0.00 O ATOM 24556 O5* C A1149 232.598 160.142 4.868 0.00 0.00 O ATOM 24557 C5* C A1149 233.363 158.994 5.160 0.00 0.00 C ATOM 24558 C4* C A1149 233.707 158.965 6.665 0.00 0.00 C ATOM 24559 O4* C A1149 234.321 160.161 7.163 0.00 0.00 O ATOM 24560 C3* C A1149 232.501 158.693 7.556 0.00 0.00 C ATOM 24561 O3* C A1149 232.260 157.289 7.610 0.00 0.00 O ATOM 24562 C2* C A1149 233.015 159.306 8.867 0.00 0.00 C ATOM 24563 O2* C A1149 234.007 158.469 9.440 0.00 0.00 O ATOM 24564 C1* C A1149 233.759 160.561 8.411 0.00 0.00 C ATOM 24565 N1 C A1149 232.942 161.828 8.347 0.00 0.00 N ATOM 24566 C2 C A1149 232.692 162.537 9.540 0.00 0.00 C ATOM 24567 O2 C A1149 232.981 162.072 10.647 0.00 0.00 O ATOM 24568 N3 C A1149 232.119 163.775 9.504 0.00 0.00 N ATOM 24569 C4 C A1149 231.758 164.288 8.335 0.00 0.00 C ATOM 24570 N4 C A1149 231.175 165.469 8.347 0.00 0.00 N ATOM 24571 C5 C A1149 231.970 163.611 7.101 0.00 0.00 C ATOM 24572 C6 C A1149 232.559 162.391 7.148 0.00 0.00 C ATOM 24573 P A A1150 230.838 156.682 8.038 0.00 0.00 P ATOM 24574 O1P A A1150 230.870 155.201 7.912 0.00 0.00 O ATOM 24575 O2P A A1150 229.807 157.457 7.323 0.00 0.00 O ATOM 24576 O5* A A1150 230.720 157.083 9.587 0.00 0.00 O ATOM 24577 C5* A A1150 231.475 156.484 10.622 0.00 0.00 C ATOM 24578 C4* A A1150 231.123 157.199 11.935 0.00 0.00 C ATOM 24579 O4* A A1150 231.488 158.566 11.847 0.00 0.00 O ATOM 24580 C3* A A1150 229.628 157.170 12.249 0.00 0.00 C ATOM 24581 O3* A A1150 229.262 155.971 12.908 0.00 0.00 O ATOM 24582 C2* A A1150 229.458 158.446 13.088 0.00 0.00 C ATOM 24583 O2* A A1150 229.826 158.333 14.459 0.00 0.00 O ATOM 24584 C1* A A1150 230.496 159.372 12.456 0.00 0.00 C ATOM 24585 N9 A A1150 229.941 160.314 11.456 0.00 0.00 N ATOM 24586 C8 A A1150 229.746 160.160 10.102 0.00 0.00 C ATOM 24587 N7 A A1150 229.417 161.260 9.479 0.00 0.00 N ATOM 24588 C5 A A1150 229.324 162.198 10.509 0.00 0.00 C ATOM 24589 C6 A A1150 228.968 163.565 10.580 0.00 0.00 C ATOM 24590 N6 A A1150 228.613 164.309 9.543 0.00 0.00 N ATOM 24591 N1 A A1150 228.934 164.204 11.757 0.00 0.00 N ATOM 24592 C2 A A1150 229.274 163.513 12.841 0.00 0.00 C ATOM 24593 N3 A A1150 229.643 162.239 12.925 0.00 0.00 N ATOM 24594 C4 A A1150 229.632 161.626 11.712 0.00 0.00 C ATOM 24595 P A A1151 227.837 155.277 12.664 0.00 0.00 P ATOM 24596 O1P A A1151 227.718 154.115 13.577 0.00 0.00 O ATOM 24597 O2P A A1151 227.610 155.127 11.216 0.00 0.00 O ATOM 24598 O5* A A1151 226.856 156.403 13.214 0.00 0.00 O ATOM 24599 C5* A A1151 226.746 156.633 14.601 0.00 0.00 C ATOM 24600 C4* A A1151 225.573 157.560 14.895 0.00 0.00 C ATOM 24601 O4* A A1151 225.848 158.861 14.397 0.00 0.00 O ATOM 24602 C3* A A1151 224.275 157.064 14.243 0.00 0.00 C ATOM 24603 O3* A A1151 223.277 157.269 15.226 0.00 0.00 O ATOM 24604 C2* A A1151 224.226 157.969 13.003 0.00 0.00 C ATOM 24605 O2* A A1151 222.963 158.095 12.388 0.00 0.00 O ATOM 24606 C1* A A1151 224.757 159.267 13.602 0.00 0.00 C ATOM 24607 N9 A A1151 225.230 160.262 12.619 0.00 0.00 N ATOM 24608 C8 A A1151 225.865 160.046 11.419 0.00 0.00 C ATOM 24609 N7 A A1151 226.099 161.128 10.734 0.00 0.00 N ATOM 24610 C5 A A1151 225.584 162.136 11.552 0.00 0.00 C ATOM 24611 C6 A A1151 225.456 163.531 11.408 0.00 0.00 C ATOM 24612 N6 A A1151 225.832 164.171 10.321 0.00 0.00 N ATOM 24613 N1 A A1151 224.887 164.275 12.367 0.00 0.00 N ATOM 24614 C2 A A1151 224.454 163.645 13.453 0.00 0.00 C ATOM 24615 N3 A A1151 224.495 162.340 13.731 0.00 0.00 N ATOM 24616 C4 A A1151 225.075 161.628 12.716 0.00 0.00 C ATOM 24617 P A A1152 221.825 156.604 15.126 0.00 0.00 P ATOM 24618 O1P A A1152 221.453 156.235 16.508 0.00 0.00 O ATOM 24619 O2P A A1152 221.843 155.530 14.114 0.00 0.00 O ATOM 24620 O5* A A1152 220.925 157.858 14.632 0.00 0.00 O ATOM 24621 C5* A A1152 220.189 158.612 15.575 0.00 0.00 C ATOM 24622 C4* A A1152 219.791 160.035 15.165 0.00 0.00 C ATOM 24623 O4* A A1152 220.920 160.832 14.828 0.00 0.00 O ATOM 24624 C3* A A1152 218.804 160.163 14.011 0.00 0.00 C ATOM 24625 O3* A A1152 217.471 159.841 14.371 0.00 0.00 O ATOM 24626 C2* A A1152 218.972 161.657 13.738 0.00 0.00 C ATOM 24627 O2* A A1152 218.283 162.496 14.642 0.00 0.00 O ATOM 24628 C1* A A1152 220.437 161.909 14.042 0.00 0.00 C ATOM 24629 N9 A A1152 221.160 162.005 12.776 0.00 0.00 N ATOM 24630 C8 A A1152 221.700 161.002 12.023 0.00 0.00 C ATOM 24631 N7 A A1152 222.306 161.418 10.945 0.00 0.00 N ATOM 24632 C5 A A1152 222.078 162.802 10.974 0.00 0.00 C ATOM 24633 C6 A A1152 222.410 163.886 10.138 0.00 0.00 C ATOM 24634 N6 A A1152 223.119 163.768 9.034 0.00 0.00 N ATOM 24635 N1 A A1152 221.989 165.130 10.416 0.00 0.00 N ATOM 24636 C2 A A1152 221.268 165.310 11.515 0.00 0.00 C ATOM 24637 N3 A A1152 220.905 164.400 12.410 0.00 0.00 N ATOM 24638 C4 A A1152 221.347 163.158 12.070 0.00 0.00 C ATOM 24639 P G A1153 216.323 159.674 13.268 0.00 0.00 P ATOM 24640 O1P G A1153 215.105 159.278 14.019 0.00 0.00 O ATOM 24641 O2P G A1153 216.860 158.798 12.214 0.00 0.00 O ATOM 24642 O5* G A1153 216.112 161.140 12.654 0.00 0.00 O ATOM 24643 C5* G A1153 215.347 162.134 13.313 0.00 0.00 C ATOM 24644 C4* G A1153 215.561 163.477 12.609 0.00 0.00 C ATOM 24645 O4* G A1153 216.956 163.739 12.482 0.00 0.00 O ATOM 24646 C3* G A1153 214.981 163.522 11.200 0.00 0.00 C ATOM 24647 O3* G A1153 213.587 163.770 11.180 0.00 0.00 O ATOM 24648 C2* G A1153 215.817 164.655 10.605 0.00 0.00 C ATOM 24649 O2* G A1153 215.420 165.955 11.002 0.00 0.00 O ATOM 24650 C1* G A1153 217.173 164.424 11.255 0.00 0.00 C ATOM 24651 N9 G A1153 218.074 163.740 10.298 0.00 0.00 N ATOM 24652 C8 G A1153 218.357 162.416 10.083 0.00 0.00 C ATOM 24653 N7 G A1153 219.227 162.211 9.125 0.00 0.00 N ATOM 24654 C5 G A1153 219.494 163.489 8.615 0.00 0.00 C ATOM 24655 C6 G A1153 220.333 163.978 7.540 0.00 0.00 C ATOM 24656 O6 G A1153 221.119 163.384 6.801 0.00 0.00 O ATOM 24657 N1 G A1153 220.218 165.349 7.338 0.00 0.00 N ATOM 24658 C2 G A1153 219.410 166.153 8.090 0.00 0.00 C ATOM 24659 N2 G A1153 219.290 167.421 7.792 0.00 0.00 N ATOM 24660 N3 G A1153 218.688 165.753 9.122 0.00 0.00 N ATOM 24661 C4 G A1153 218.761 164.412 9.326 0.00 0.00 C ATOM 24662 P G A1154 212.728 163.496 9.852 0.00 0.00 P ATOM 24663 O1P G A1154 211.305 163.744 10.167 0.00 0.00 O ATOM 24664 O2P G A1154 213.158 162.197 9.296 0.00 0.00 O ATOM 24665 O5* G A1154 213.244 164.652 8.861 0.00 0.00 O ATOM 24666 C5* G A1154 212.760 165.977 8.962 0.00 0.00 C ATOM 24667 C4* G A1154 213.496 166.871 7.965 0.00 0.00 C ATOM 24668 O4* G A1154 214.907 166.805 8.158 0.00 0.00 O ATOM 24669 C3* G A1154 213.257 166.476 6.513 0.00 0.00 C ATOM 24670 O3* G A1154 211.985 166.843 6.018 0.00 0.00 O ATOM 24671 C2* G A1154 214.420 167.222 5.860 0.00 0.00 C ATOM 24672 O2* G A1154 214.253 168.631 5.784 0.00 0.00 O ATOM 24673 C1* G A1154 215.524 166.951 6.881 0.00 0.00 C ATOM 24674 N9 G A1154 216.302 165.761 6.459 0.00 0.00 N ATOM 24675 C8 G A1154 216.228 164.443 6.833 0.00 0.00 C ATOM 24676 N7 G A1154 217.111 163.675 6.245 0.00 0.00 N ATOM 24677 C5 G A1154 217.772 164.526 5.352 0.00 0.00 C ATOM 24678 C6 G A1154 218.804 164.306 4.363 0.00 0.00 C ATOM 24679 O6 G A1154 219.437 163.290 4.069 0.00 0.00 O ATOM 24680 N1 G A1154 219.090 165.443 3.623 0.00 0.00 N ATOM 24681 C2 G A1154 218.471 166.647 3.813 0.00 0.00 C ATOM 24682 N2 G A1154 218.702 167.625 2.976 0.00 0.00 N ATOM 24683 N3 G A1154 217.560 166.898 4.740 0.00 0.00 N ATOM 24684 C4 G A1154 217.249 165.796 5.473 0.00 0.00 C ATOM 24685 P A A1155 211.374 166.121 4.718 0.00 0.00 P ATOM 24686 O1P A A1155 210.004 166.642 4.522 0.00 0.00 O ATOM 24687 O2P A A1155 211.606 164.669 4.851 0.00 0.00 O ATOM 24688 O5* A A1155 212.318 166.675 3.537 0.00 0.00 O ATOM 24689 C5* A A1155 212.215 168.017 3.100 0.00 0.00 C ATOM 24690 C4* A A1155 213.265 168.344 2.031 0.00 0.00 C ATOM 24691 O4* A A1155 214.585 168.002 2.448 0.00 0.00 O ATOM 24692 C3* A A1155 213.011 167.622 0.713 0.00 0.00 C ATOM 24693 O3* A A1155 212.047 168.294 -0.075 0.00 0.00 O ATOM 24694 C2* A A1155 214.408 167.658 0.090 0.00 0.00 C ATOM 24695 O2* A A1155 214.746 168.903 -0.511 0.00 0.00 O ATOM 24696 C1* A A1155 215.304 167.511 1.319 0.00 0.00 C ATOM 24697 N9 A A1155 215.720 166.106 1.515 0.00 0.00 N ATOM 24698 C8 A A1155 215.376 165.231 2.518 0.00 0.00 C ATOM 24699 N7 A A1155 216.074 164.130 2.522 0.00 0.00 N ATOM 24700 C5 A A1155 216.886 164.258 1.395 0.00 0.00 C ATOM 24701 C6 A A1155 217.859 163.437 0.793 0.00 0.00 C ATOM 24702 N6 A A1155 218.235 162.281 1.308 0.00 0.00 N ATOM 24703 N1 A A1155 218.449 163.800 -0.354 0.00 0.00 N ATOM 24704 C2 A A1155 218.111 164.979 -0.871 0.00 0.00 C ATOM 24705 N3 A A1155 217.246 165.873 -0.396 0.00 0.00 N ATOM 24706 C4 A A1155 216.651 165.441 0.752 0.00 0.00 C ATOM 24707 P G A1156 211.078 167.486 -1.059 0.00 0.00 P ATOM 24708 O1P G A1156 210.328 168.474 -1.863 0.00 0.00 O ATOM 24709 O2P G A1156 210.360 166.484 -0.248 0.00 0.00 O ATOM 24710 O5* G A1156 212.116 166.707 -2.016 0.00 0.00 O ATOM 24711 C5* G A1156 212.721 167.333 -3.130 0.00 0.00 C ATOM 24712 C4* G A1156 213.588 166.342 -3.920 0.00 0.00 C ATOM 24713 O4* G A1156 214.737 165.906 -3.189 0.00 0.00 O ATOM 24714 C3* G A1156 212.839 165.076 -4.336 0.00 0.00 C ATOM 24715 O3* G A1156 211.960 165.290 -5.436 0.00 0.00 O ATOM 24716 C2* G A1156 214.037 164.167 -4.635 0.00 0.00 C ATOM 24717 O2* G A1156 214.701 164.491 -5.854 0.00 0.00 O ATOM 24718 C1* G A1156 214.997 164.533 -3.492 0.00 0.00 C ATOM 24719 N9 G A1156 214.791 163.711 -2.267 0.00 0.00 N ATOM 24720 C8 G A1156 213.894 163.947 -1.254 0.00 0.00 C ATOM 24721 N7 G A1156 213.956 163.098 -0.271 0.00 0.00 N ATOM 24722 C5 G A1156 214.960 162.211 -0.651 0.00 0.00 C ATOM 24723 C6 G A1156 215.480 161.052 0.025 0.00 0.00 C ATOM 24724 O6 G A1156 215.170 160.568 1.109 0.00 0.00 O ATOM 24725 N1 G A1156 216.477 160.406 -0.678 0.00 0.00 N ATOM 24726 C2 G A1156 216.947 160.840 -1.882 0.00 0.00 C ATOM 24727 N2 G A1156 217.882 160.076 -2.403 0.00 0.00 N ATOM 24728 N3 G A1156 216.502 161.927 -2.545 0.00 0.00 N ATOM 24729 C4 G A1156 215.490 162.576 -1.875 0.00 0.00 C ATOM 24730 P A A1157 210.440 164.732 -5.444 0.00 0.00 P ATOM 24731 O1P A A1157 209.559 165.744 -6.064 0.00 0.00 O ATOM 24732 O2P A A1157 210.115 164.171 -4.118 0.00 0.00 O ATOM 24733 O5* A A1157 210.503 163.486 -6.444 0.00 0.00 O ATOM 24734 C5* A A1157 209.346 162.700 -6.682 0.00 0.00 C ATOM 24735 C4* A A1157 209.695 161.285 -7.174 0.00 0.00 C ATOM 24736 O4* A A1157 210.464 161.358 -8.357 0.00 0.00 O ATOM 24737 C3* A A1157 210.515 160.479 -6.151 0.00 0.00 C ATOM 24738 O3* A A1157 210.234 159.084 -6.277 0.00 0.00 O ATOM 24739 C2* A A1157 211.942 160.857 -6.585 0.00 0.00 C ATOM 24740 O2* A A1157 212.976 159.980 -6.167 0.00 0.00 O ATOM 24741 C1* A A1157 211.765 160.880 -8.097 0.00 0.00 C ATOM 24742 N9 A A1157 212.706 161.770 -8.797 0.00 0.00 N ATOM 24743 C8 A A1157 212.616 163.126 -8.996 0.00 0.00 C ATOM 24744 N7 A A1157 213.480 163.603 -9.853 0.00 0.00 N ATOM 24745 C5 A A1157 214.234 162.472 -10.188 0.00 0.00 C ATOM 24746 C6 A A1157 215.360 162.249 -11.005 0.00 0.00 C ATOM 24747 N6 A A1157 215.965 163.220 -11.662 0.00 0.00 N ATOM 24748 N1 A A1157 215.891 161.024 -11.131 0.00 0.00 N ATOM 24749 C2 A A1157 215.319 160.031 -10.450 0.00 0.00 C ATOM 24750 N3 A A1157 214.279 160.097 -9.624 0.00 0.00 N ATOM 24751 C4 A A1157 213.778 161.358 -9.540 0.00 0.00 C ATOM 24752 P C A1158 208.852 158.454 -5.718 0.00 0.00 P ATOM 24753 O1P C A1158 208.412 159.274 -4.568 0.00 0.00 O ATOM 24754 O2P C A1158 208.978 156.992 -5.567 0.00 0.00 O ATOM 24755 O5* C A1158 207.825 158.720 -6.923 0.00 0.00 O ATOM 24756 C5* C A1158 206.449 158.912 -6.675 0.00 0.00 C ATOM 24757 C4* C A1158 205.852 159.964 -7.604 0.00 0.00 C ATOM 24758 O4* C A1158 206.562 161.203 -7.622 0.00 0.00 O ATOM 24759 C3* C A1158 205.751 159.541 -9.060 0.00 0.00 C ATOM 24760 O3* C A1158 204.759 158.532 -9.227 0.00 0.00 O ATOM 24761 C2* C A1158 205.366 160.927 -9.598 0.00 0.00 C ATOM 24762 O2* C A1158 204.029 161.239 -9.271 0.00 0.00 O ATOM 24763 C1* C A1158 206.114 161.947 -8.744 0.00 0.00 C ATOM 24764 N1 C A1158 207.160 162.790 -9.415 0.00 0.00 N ATOM 24765 C2 C A1158 208.210 162.237 -10.169 0.00 0.00 C ATOM 24766 O2 C A1158 208.195 161.068 -10.534 0.00 0.00 O ATOM 24767 N3 C A1158 209.276 163.015 -10.533 0.00 0.00 N ATOM 24768 C4 C A1158 209.286 164.298 -10.199 0.00 0.00 C ATOM 24769 N4 C A1158 210.360 164.997 -10.502 0.00 0.00 N ATOM 24770 C5 C A1158 208.180 164.933 -9.562 0.00 0.00 C ATOM 24771 C6 C A1158 207.132 164.148 -9.208 0.00 0.00 C ATOM 24772 P U A1159 204.756 157.528 -10.485 0.00 0.00 P ATOM 24773 O1P U A1159 203.577 156.650 -10.333 0.00 0.00 O ATOM 24774 O2P U A1159 206.104 156.927 -10.573 0.00 0.00 O ATOM 24775 O5* U A1159 204.539 158.510 -11.746 0.00 0.00 O ATOM 24776 C5* U A1159 205.119 158.258 -13.016 0.00 0.00 C ATOM 24777 C4* U A1159 205.389 159.596 -13.712 0.00 0.00 C ATOM 24778 O4* U A1159 206.493 159.434 -14.598 0.00 0.00 O ATOM 24779 C3* U A1159 204.205 160.166 -14.512 0.00 0.00 C ATOM 24780 O3* U A1159 204.155 161.561 -14.254 0.00 0.00 O ATOM 24781 C2* U A1159 204.628 159.812 -15.954 0.00 0.00 C ATOM 24782 O2* U A1159 204.141 160.662 -16.982 0.00 0.00 O ATOM 24783 C1* U A1159 206.148 159.923 -15.882 0.00 0.00 C ATOM 24784 N1 U A1159 206.854 159.148 -16.946 0.00 0.00 N ATOM 24785 C2 U A1159 207.482 159.835 -17.998 0.00 0.00 C ATOM 24786 O2 U A1159 207.529 161.065 -18.071 0.00 0.00 O ATOM 24787 N3 U A1159 208.100 159.059 -18.970 0.00 0.00 N ATOM 24788 C4 U A1159 208.196 157.680 -18.957 0.00 0.00 C ATOM 24789 O4 U A1159 208.791 157.097 -19.850 0.00 0.00 O ATOM 24790 C5 U A1159 207.553 157.045 -17.826 0.00 0.00 C ATOM 24791 C6 U A1159 206.916 157.772 -16.874 0.00 0.00 C ATOM 24792 P G A1160 203.217 162.174 -13.084 0.00 0.00 P ATOM 24793 O1P G A1160 203.384 161.420 -11.816 0.00 0.00 O ATOM 24794 O2P G A1160 201.869 162.427 -13.618 0.00 0.00 O ATOM 24795 O5* G A1160 203.913 163.589 -12.838 0.00 0.00 O ATOM 24796 C5* G A1160 203.260 164.580 -12.074 0.00 0.00 C ATOM 24797 C4* G A1160 204.104 165.855 -12.007 0.00 0.00 C ATOM 24798 O4* G A1160 205.330 165.638 -11.308 0.00 0.00 O ATOM 24799 C3* G A1160 204.473 166.386 -13.389 0.00 0.00 C ATOM 24800 O3* G A1160 203.465 167.174 -13.985 0.00 0.00 O ATOM 24801 C2* G A1160 205.739 167.177 -13.061 0.00 0.00 C ATOM 24802 O2* G A1160 205.507 168.421 -12.413 0.00 0.00 O ATOM 24803 C1* G A1160 206.391 166.252 -12.037 0.00 0.00 C ATOM 24804 N9 G A1160 207.230 165.239 -12.720 0.00 0.00 N ATOM 24805 C8 G A1160 207.031 163.882 -12.824 0.00 0.00 C ATOM 24806 N7 G A1160 207.954 163.255 -13.496 0.00 0.00 N ATOM 24807 C5 G A1160 208.830 164.270 -13.865 0.00 0.00 C ATOM 24808 C6 G A1160 210.028 164.201 -14.635 0.00 0.00 C ATOM 24809 O6 G A1160 210.527 163.189 -15.114 0.00 0.00 O ATOM 24810 N1 G A1160 210.641 165.432 -14.832 0.00 0.00 N ATOM 24811 C2 G A1160 210.126 166.604 -14.344 0.00 0.00 C ATOM 24812 N2 G A1160 210.755 167.721 -14.655 0.00 0.00 N ATOM 24813 N3 G A1160 209.017 166.698 -13.602 0.00 0.00 N ATOM 24814 C4 G A1160 208.404 165.490 -13.398 0.00 0.00 C ATOM 24815 P C A1161 203.399 167.340 -15.581 0.00 0.00 P ATOM 24816 O1P C A1161 202.252 168.216 -15.897 0.00 0.00 O ATOM 24817 O2P C A1161 203.512 165.997 -16.183 0.00 0.00 O ATOM 24818 O5* C A1161 204.759 168.119 -15.942 0.00 0.00 O ATOM 24819 C5* C A1161 204.942 169.502 -15.718 0.00 0.00 C ATOM 24820 C4* C A1161 206.219 169.970 -16.437 0.00 0.00 C ATOM 24821 O4* C A1161 207.395 169.290 -15.984 0.00 0.00 O ATOM 24822 C3* C A1161 206.146 169.749 -17.946 0.00 0.00 C ATOM 24823 O3* C A1161 205.419 170.774 -18.603 0.00 0.00 O ATOM 24824 C2* C A1161 207.637 169.720 -18.304 0.00 0.00 C ATOM 24825 O2* C A1161 208.234 171.009 -18.347 0.00 0.00 O ATOM 24826 C1* C A1161 208.248 168.999 -17.100 0.00 0.00 C ATOM 24827 N1 C A1161 208.414 167.525 -17.331 0.00 0.00 N ATOM 24828 C2 C A1161 209.483 167.053 -18.123 0.00 0.00 C ATOM 24829 O2 C A1161 210.256 167.821 -18.698 0.00 0.00 O ATOM 24830 N3 C A1161 209.691 165.714 -18.269 0.00 0.00 N ATOM 24831 C4 C A1161 208.870 164.864 -17.660 0.00 0.00 C ATOM 24832 N4 C A1161 209.070 163.582 -17.846 0.00 0.00 N ATOM 24833 C5 C A1161 207.775 165.290 -16.858 0.00 0.00 C ATOM 24834 C6 C A1161 207.578 166.621 -16.720 0.00 0.00 C ATOM 24835 P C A1162 204.695 170.507 -20.010 0.00 0.00 P ATOM 24836 O1P C A1162 203.974 171.736 -20.398 0.00 0.00 O ATOM 24837 O2P C A1162 203.987 169.217 -19.916 0.00 0.00 O ATOM 24838 O5* C A1162 205.923 170.298 -21.018 0.00 0.00 O ATOM 24839 C5* C A1162 206.640 171.373 -21.590 0.00 0.00 C ATOM 24840 C4* C A1162 207.642 170.832 -22.623 0.00 0.00 C ATOM 24841 O4* C A1162 208.623 169.981 -22.027 0.00 0.00 O ATOM 24842 C3* C A1162 206.971 170.008 -23.721 0.00 0.00 C ATOM 24843 O3* C A1162 206.371 170.817 -24.720 0.00 0.00 O ATOM 24844 C2* C A1162 208.155 169.171 -24.215 0.00 0.00 C ATOM 24845 O2* C A1162 209.051 169.877 -25.061 0.00 0.00 O ATOM 24846 C1* C A1162 208.904 168.892 -22.911 0.00 0.00 C ATOM 24847 N1 C A1162 208.513 167.573 -22.325 0.00 0.00 N ATOM 24848 C2 C A1162 209.111 166.401 -22.818 0.00 0.00 C ATOM 24849 O2 C A1162 209.859 166.420 -23.799 0.00 0.00 O ATOM 24850 N3 C A1162 208.869 165.207 -22.210 0.00 0.00 N ATOM 24851 C4 C A1162 208.032 165.165 -21.180 0.00 0.00 C ATOM 24852 N4 C A1162 207.825 163.996 -20.621 0.00 0.00 N ATOM 24853 C5 C A1162 207.351 166.313 -20.686 0.00 0.00 C ATOM 24854 C6 C A1162 207.604 167.492 -21.298 0.00 0.00 C ATOM 24855 P A A1163 205.148 170.267 -25.604 0.00 0.00 P ATOM 24856 O1P A A1163 204.660 171.379 -26.448 0.00 0.00 O ATOM 24857 O2P A A1163 204.223 169.551 -24.705 0.00 0.00 O ATOM 24858 O5* A A1163 205.856 169.175 -26.550 0.00 0.00 O ATOM 24859 C5* A A1163 206.530 169.560 -27.731 0.00 0.00 C ATOM 24860 C4* A A1163 207.064 168.345 -28.497 0.00 0.00 C ATOM 24861 O4* A A1163 208.024 167.617 -27.732 0.00 0.00 O ATOM 24862 C3* A A1163 205.979 167.348 -28.896 0.00 0.00 C ATOM 24863 O3* A A1163 205.232 167.749 -30.031 0.00 0.00 O ATOM 24864 C2* A A1163 206.840 166.104 -29.131 0.00 0.00 C ATOM 24865 O2* A A1163 207.591 166.127 -30.339 0.00 0.00 O ATOM 24866 C1* A A1163 207.846 166.227 -27.991 0.00 0.00 C ATOM 24867 N9 A A1163 207.354 165.532 -26.781 0.00 0.00 N ATOM 24868 C8 A A1163 206.724 166.055 -25.678 0.00 0.00 C ATOM 24869 N7 A A1163 206.521 165.195 -24.720 0.00 0.00 N ATOM 24870 C5 A A1163 206.969 163.992 -25.274 0.00 0.00 C ATOM 24871 C6 A A1163 206.989 162.654 -24.828 0.00 0.00 C ATOM 24872 N6 A A1163 206.594 162.296 -23.620 0.00 0.00 N ATOM 24873 N1 A A1163 207.459 161.673 -25.618 0.00 0.00 N ATOM 24874 C2 A A1163 207.904 162.017 -26.824 0.00 0.00 C ATOM 24875 N3 A A1163 207.957 163.229 -27.372 0.00 0.00 N ATOM 24876 C4 A A1163 207.461 164.184 -26.535 0.00 0.00 C ATOM 24877 P G A1164 203.778 167.129 -30.311 0.00 0.00 P ATOM 24878 O1P G A1164 203.252 167.725 -31.557 0.00 0.00 O ATOM 24879 O2P G A1164 203.003 167.203 -29.057 0.00 0.00 O ATOM 24880 O5* G A1164 204.117 165.586 -30.582 0.00 0.00 O ATOM 24881 C5* G A1164 204.643 165.151 -31.820 0.00 0.00 C ATOM 24882 C4* G A1164 204.798 163.632 -31.795 0.00 0.00 C ATOM 24883 O4* G A1164 205.669 163.231 -30.744 0.00 0.00 O ATOM 24884 C3* G A1164 203.471 162.920 -31.553 0.00 0.00 C ATOM 24885 O3* G A1164 202.659 162.863 -32.711 0.00 0.00 O ATOM 24886 C2* G A1164 203.976 161.566 -31.062 0.00 0.00 C ATOM 24887 O2* G A1164 204.469 160.713 -32.085 0.00 0.00 O ATOM 24888 C1* G A1164 205.173 162.009 -30.218 0.00 0.00 C ATOM 24889 N9 G A1164 204.787 162.113 -28.792 0.00 0.00 N ATOM 24890 C8 G A1164 204.465 163.183 -27.996 0.00 0.00 C ATOM 24891 N7 G A1164 204.241 162.860 -26.746 0.00 0.00 N ATOM 24892 C5 G A1164 204.377 161.465 -26.714 0.00 0.00 C ATOM 24893 C6 G A1164 204.242 160.473 -25.668 0.00 0.00 C ATOM 24894 O6 G A1164 204.003 160.594 -24.467 0.00 0.00 O ATOM 24895 N1 G A1164 204.393 159.175 -26.137 0.00 0.00 N ATOM 24896 C2 G A1164 204.652 158.862 -27.441 0.00 0.00 C ATOM 24897 N2 G A1164 204.682 157.613 -27.824 0.00 0.00 N ATOM 24898 N3 G A1164 204.824 159.742 -28.411 0.00 0.00 N ATOM 24899 C4 G A1164 204.674 161.021 -27.984 0.00 0.00 C ATOM 24900 P U A1165 201.063 162.744 -32.591 0.00 0.00 P ATOM 24901 O1P U A1165 200.489 162.936 -33.939 0.00 0.00 O ATOM 24902 O2P U A1165 200.626 163.590 -31.464 0.00 0.00 O ATOM 24903 O5* U A1165 200.856 161.212 -32.154 0.00 0.00 O ATOM 24904 C5* U A1165 200.961 160.162 -33.095 0.00 0.00 C ATOM 24905 C4* U A1165 200.733 158.811 -32.412 0.00 0.00 C ATOM 24906 O4* U A1165 201.702 158.613 -31.384 0.00 0.00 O ATOM 24907 C3* U A1165 199.358 158.681 -31.760 0.00 0.00 C ATOM 24908 O3* U A1165 198.341 158.279 -32.660 0.00 0.00 O ATOM 24909 C2* U A1165 199.650 157.602 -30.713 0.00 0.00 C ATOM 24910 O2* U A1165 199.620 156.279 -31.237 0.00 0.00 O ATOM 24911 C1* U A1165 201.101 157.885 -30.319 0.00 0.00 C ATOM 24912 N1 U A1165 201.180 158.594 -29.012 0.00 0.00 N ATOM 24913 C2 U A1165 201.172 157.809 -27.854 0.00 0.00 C ATOM 24914 O2 U A1165 201.123 156.582 -27.871 0.00 0.00 O ATOM 24915 N3 U A1165 201.199 158.475 -26.647 0.00 0.00 N ATOM 24916 C4 U A1165 201.210 159.835 -26.478 0.00 0.00 C ATOM 24917 O4 U A1165 201.137 160.284 -25.342 0.00 0.00 O ATOM 24918 C5 U A1165 201.254 160.587 -27.714 0.00 0.00 C ATOM 24919 C6 U A1165 201.210 159.969 -28.923 0.00 0.00 C ATOM 24920 P G A1166 196.797 158.635 -32.386 0.00 0.00 P ATOM 24921 O1P G A1166 195.982 157.749 -33.245 0.00 0.00 O ATOM 24922 O2P G A1166 196.666 160.101 -32.494 0.00 0.00 O ATOM 24923 O5* G A1166 196.574 158.215 -30.837 0.00 0.00 O ATOM 24924 C5* G A1166 196.208 156.894 -30.476 0.00 0.00 C ATOM 24925 C4* G A1166 196.113 156.695 -28.954 0.00 0.00 C ATOM 24926 O4* G A1166 197.371 156.907 -28.320 0.00 0.00 O ATOM 24927 C3* G A1166 195.112 157.596 -28.228 0.00 0.00 C ATOM 24928 O3* G A1166 193.768 157.159 -28.295 0.00 0.00 O ATOM 24929 C2* G A1166 195.652 157.513 -26.795 0.00 0.00 C ATOM 24930 O2* G A1166 195.353 156.304 -26.107 0.00 0.00 O ATOM 24931 C1* G A1166 197.151 157.553 -27.075 0.00 0.00 C ATOM 24932 N9 G A1166 197.582 158.964 -27.101 0.00 0.00 N ATOM 24933 C8 G A1166 197.856 159.796 -28.157 0.00 0.00 C ATOM 24934 N7 G A1166 198.254 160.982 -27.800 0.00 0.00 N ATOM 24935 C5 G A1166 198.202 160.956 -26.403 0.00 0.00 C ATOM 24936 C6 G A1166 198.562 161.932 -25.412 0.00 0.00 C ATOM 24937 O6 G A1166 199.079 163.042 -25.535 0.00 0.00 O ATOM 24938 N1 G A1166 198.296 161.489 -24.133 0.00 0.00 N ATOM 24939 C2 G A1166 197.776 160.274 -23.814 0.00 0.00 C ATOM 24940 N2 G A1166 197.578 160.075 -22.533 0.00 0.00 N ATOM 24941 N3 G A1166 197.505 159.307 -24.693 0.00 0.00 N ATOM 24942 C4 G A1166 197.740 159.727 -25.976 0.00 0.00 C ATOM 24943 P A A1167 192.622 158.050 -28.986 0.00 0.00 P ATOM 24944 O1P A A1167 191.456 157.169 -29.205 0.00 0.00 O ATOM 24945 O2P A A1167 193.221 158.779 -30.119 0.00 0.00 O ATOM 24946 O5* A A1167 192.206 159.135 -27.866 0.00 0.00 O ATOM 24947 C5* A A1167 193.065 160.185 -27.438 0.00 0.00 C ATOM 24948 C4* A A1167 192.266 161.188 -26.589 0.00 0.00 C ATOM 24949 O4* A A1167 191.453 160.490 -25.668 0.00 0.00 O ATOM 24950 C3* A A1167 193.162 162.097 -25.751 0.00 0.00 C ATOM 24951 O3* A A1167 193.485 163.257 -26.501 0.00 0.00 O ATOM 24952 C2* A A1167 192.332 162.353 -24.476 0.00 0.00 C ATOM 24953 O2* A A1167 191.586 163.563 -24.520 0.00 0.00 O ATOM 24954 C1* A A1167 191.312 161.207 -24.461 0.00 0.00 C ATOM 24955 N9 A A1167 191.426 160.208 -23.368 0.00 0.00 N ATOM 24956 C8 A A1167 191.497 158.842 -23.508 0.00 0.00 C ATOM 24957 N7 A A1167 191.340 158.169 -22.404 0.00 0.00 N ATOM 24958 C5 A A1167 191.194 159.166 -21.442 0.00 0.00 C ATOM 24959 C6 A A1167 191.011 159.149 -20.041 0.00 0.00 C ATOM 24960 N6 A A1167 190.944 158.045 -19.309 0.00 0.00 N ATOM 24961 N1 A A1167 190.897 160.299 -19.370 0.00 0.00 N ATOM 24962 C2 A A1167 190.943 161.436 -20.057 0.00 0.00 C ATOM 24963 N3 A A1167 191.110 161.605 -21.369 0.00 0.00 N ATOM 24964 C4 A A1167 191.242 160.413 -22.016 0.00 0.00 C ATOM 24965 P U A1168 194.873 164.032 -26.306 0.00 0.00 P ATOM 24966 O1P U A1168 194.994 165.029 -27.391 0.00 0.00 O ATOM 24967 O2P U A1168 195.911 163.004 -26.106 0.00 0.00 O ATOM 24968 O5* U A1168 194.660 164.831 -24.923 0.00 0.00 O ATOM 24969 C5* U A1168 195.132 164.353 -23.675 0.00 0.00 C ATOM 24970 C4* U A1168 196.453 165.015 -23.231 0.00 0.00 C ATOM 24971 O4* U A1168 196.526 166.365 -23.685 0.00 0.00 O ATOM 24972 C3* U A1168 196.478 165.057 -21.693 0.00 0.00 C ATOM 24973 O3* U A1168 197.786 164.958 -21.157 0.00 0.00 O ATOM 24974 C2* U A1168 195.847 166.434 -21.431 0.00 0.00 C ATOM 24975 O2* U A1168 196.150 166.984 -20.155 0.00 0.00 O ATOM 24976 C1* U A1168 196.394 167.261 -22.601 0.00 0.00 C ATOM 24977 N1 U A1168 195.554 168.423 -23.027 0.00 0.00 N ATOM 24978 C2 U A1168 196.190 169.637 -23.325 0.00 0.00 C ATOM 24979 O2 U A1168 197.397 169.813 -23.217 0.00 0.00 O ATOM 24980 N3 U A1168 195.393 170.692 -23.739 0.00 0.00 N ATOM 24981 C4 U A1168 194.019 170.658 -23.848 0.00 0.00 C ATOM 24982 O4 U A1168 193.412 171.664 -24.185 0.00 0.00 O ATOM 24983 C5 U A1168 193.427 169.371 -23.544 0.00 0.00 C ATOM 24984 C6 U A1168 194.186 168.308 -23.169 0.00 0.00 C ATOM 24985 P A A1169 198.365 163.559 -20.598 0.00 0.00 P ATOM 24986 O1P A A1169 199.529 163.852 -19.743 0.00 0.00 O ATOM 24987 O2P A A1169 198.485 162.610 -21.728 0.00 0.00 O ATOM 24988 O5* A A1169 197.177 162.970 -19.687 0.00 0.00 O ATOM 24989 C5* A A1169 196.808 163.537 -18.443 0.00 0.00 C ATOM 24990 C4* A A1169 195.908 162.553 -17.677 0.00 0.00 C ATOM 24991 O4* A A1169 194.721 162.247 -18.408 0.00 0.00 O ATOM 24992 C3* A A1169 196.602 161.224 -17.393 0.00 0.00 C ATOM 24993 O3* A A1169 197.374 161.241 -16.211 0.00 0.00 O ATOM 24994 C2* A A1169 195.417 160.265 -17.283 0.00 0.00 C ATOM 24995 O2* A A1169 194.770 160.270 -16.014 0.00 0.00 O ATOM 24996 C1* A A1169 194.440 160.852 -18.307 0.00 0.00 C ATOM 24997 N9 A A1169 194.544 160.197 -19.638 0.00 0.00 N ATOM 24998 C8 A A1169 194.714 160.783 -20.869 0.00 0.00 C ATOM 24999 N7 A A1169 194.617 159.959 -21.879 0.00 0.00 N ATOM 25000 C5 A A1169 194.401 158.721 -21.267 0.00 0.00 C ATOM 25001 C6 A A1169 194.209 157.399 -21.740 0.00 0.00 C ATOM 25002 N6 A A1169 194.231 157.041 -23.017 0.00 0.00 N ATOM 25003 N1 A A1169 193.971 156.398 -20.884 0.00 0.00 N ATOM 25004 C2 A A1169 193.939 156.685 -19.588 0.00 0.00 C ATOM 25005 N3 A A1169 194.118 157.866 -19.000 0.00 0.00 N ATOM 25006 C4 A A1169 194.347 158.859 -19.904 0.00 0.00 C ATOM 25007 P A A1170 198.646 160.279 -16.048 0.00 0.00 P ATOM 25008 O1P A A1170 199.085 160.363 -14.642 0.00 0.00 O ATOM 25009 O2P A A1170 199.574 160.548 -17.164 0.00 0.00 O ATOM 25010 O5* A A1170 198.054 158.804 -16.279 0.00 0.00 O ATOM 25011 C5* A A1170 197.582 158.031 -15.195 0.00 0.00 C ATOM 25012 C4* A A1170 197.363 156.587 -15.646 0.00 0.00 C ATOM 25013 O4* A A1170 196.383 156.545 -16.676 0.00 0.00 O ATOM 25014 C3* A A1170 198.633 155.939 -16.198 0.00 0.00 C ATOM 25015 O3* A A1170 199.518 155.429 -15.210 0.00 0.00 O ATOM 25016 C2* A A1170 197.988 154.837 -17.040 0.00 0.00 C ATOM 25017 O2* A A1170 197.514 153.729 -16.280 0.00 0.00 O ATOM 25018 C1* A A1170 196.752 155.532 -17.600 0.00 0.00 C ATOM 25019 N9 A A1170 197.018 156.064 -18.959 0.00 0.00 N ATOM 25020 C8 A A1170 197.295 157.343 -19.379 0.00 0.00 C ATOM 25021 N7 A A1170 197.360 157.477 -20.683 0.00 0.00 N ATOM 25022 C5 A A1170 197.170 156.171 -21.154 0.00 0.00 C ATOM 25023 C6 A A1170 197.144 155.549 -22.431 0.00 0.00 C ATOM 25024 N6 A A1170 197.325 156.135 -23.607 0.00 0.00 N ATOM 25025 N1 A A1170 196.941 154.234 -22.545 0.00 0.00 N ATOM 25026 C2 A A1170 196.743 153.536 -21.435 0.00 0.00 C ATOM 25027 N3 A A1170 196.733 153.970 -20.179 0.00 0.00 N ATOM 25028 C4 A A1170 196.963 155.311 -20.106 0.00 0.00 C ATOM 25029 P A A1171 201.100 155.272 -15.504 0.00 0.00 P ATOM 25030 O1P A A1171 201.679 154.410 -14.454 0.00 0.00 O ATOM 25031 O2P A A1171 201.650 156.618 -15.761 0.00 0.00 O ATOM 25032 O5* A A1171 201.139 154.463 -16.899 0.00 0.00 O ATOM 25033 C5* A A1171 200.948 153.060 -16.964 0.00 0.00 C ATOM 25034 C4* A A1171 200.947 152.579 -18.425 0.00 0.00 C ATOM 25035 O4* A A1171 199.916 153.208 -19.180 0.00 0.00 O ATOM 25036 C3* A A1171 202.260 152.852 -19.155 0.00 0.00 C ATOM 25037 O3* A A1171 203.243 151.862 -18.865 0.00 0.00 O ATOM 25038 C2* A A1171 201.765 152.883 -20.610 0.00 0.00 C ATOM 25039 O2* A A1171 201.523 151.607 -21.179 0.00 0.00 O ATOM 25040 C1* A A1171 200.396 153.539 -20.474 0.00 0.00 C ATOM 25041 N9 A A1171 200.478 155.005 -20.689 0.00 0.00 N ATOM 25042 C8 A A1171 200.517 156.028 -19.771 0.00 0.00 C ATOM 25043 N7 A A1171 200.565 157.219 -20.303 0.00 0.00 N ATOM 25044 C5 A A1171 200.539 156.967 -21.675 0.00 0.00 C ATOM 25045 C6 A A1171 200.549 157.781 -22.830 0.00 0.00 C ATOM 25046 N6 A A1171 200.537 159.100 -22.796 0.00 0.00 N ATOM 25047 N1 A A1171 200.591 157.232 -24.055 0.00 0.00 N ATOM 25048 C2 A A1171 200.602 155.907 -24.133 0.00 0.00 C ATOM 25049 N3 A A1171 200.561 155.020 -23.143 0.00 0.00 N ATOM 25050 C4 A A1171 200.531 155.621 -21.920 0.00 0.00 C ATOM 25051 P C A1172 204.815 152.139 -19.078 0.00 0.00 P ATOM 25052 O1P C A1172 205.588 150.997 -18.512 0.00 0.00 O ATOM 25053 O2P C A1172 205.096 153.513 -18.621 0.00 0.00 O ATOM 25054 O5* C A1172 204.946 152.145 -20.680 0.00 0.00 O ATOM 25055 C5* C A1172 204.783 150.986 -21.473 0.00 0.00 C ATOM 25056 C4* C A1172 204.855 151.372 -22.961 0.00 0.00 C ATOM 25057 O4* C A1172 203.861 152.338 -23.313 0.00 0.00 O ATOM 25058 C3* C A1172 206.220 151.955 -23.333 0.00 0.00 C ATOM 25059 O3* C A1172 207.216 150.941 -23.556 0.00 0.00 O ATOM 25060 C2* C A1172 205.826 152.780 -24.568 0.00 0.00 C ATOM 25061 O2* C A1172 205.721 151.978 -25.736 0.00 0.00 O ATOM 25062 C1* C A1172 204.408 153.276 -24.246 0.00 0.00 C ATOM 25063 N1 C A1172 204.347 154.684 -23.727 0.00 0.00 N ATOM 25064 C2 C A1172 204.285 155.763 -24.630 0.00 0.00 C ATOM 25065 O2 C A1172 204.448 155.604 -25.843 0.00 0.00 O ATOM 25066 N3 C A1172 204.044 157.027 -24.175 0.00 0.00 N ATOM 25067 C4 C A1172 203.850 157.222 -22.872 0.00 0.00 C ATOM 25068 N4 C A1172 203.614 158.441 -22.451 0.00 0.00 N ATOM 25069 C5 C A1172 203.922 156.169 -21.921 0.00 0.00 C ATOM 25070 C6 C A1172 204.208 154.929 -22.382 0.00 0.00 C ATOM 25071 P U A1173 208.783 151.248 -23.272 0.00 0.00 P ATOM 25072 O1P U A1173 209.667 150.120 -23.683 0.00 0.00 O ATOM 25073 O2P U A1173 208.918 151.766 -21.902 0.00 0.00 O ATOM 25074 O5* U A1173 209.074 152.431 -24.313 0.00 0.00 O ATOM 25075 C5* U A1173 209.144 152.137 -25.698 0.00 0.00 C ATOM 25076 C4* U A1173 209.317 153.376 -26.577 0.00 0.00 C ATOM 25077 O4* U A1173 208.141 154.178 -26.606 0.00 0.00 O ATOM 25078 C3* U A1173 210.437 154.324 -26.166 0.00 0.00 C ATOM 25079 O3* U A1173 211.737 153.822 -26.424 0.00 0.00 O ATOM 25080 C2* U A1173 210.052 155.520 -27.043 0.00 0.00 C ATOM 25081 O2* U A1173 210.362 155.318 -28.419 0.00 0.00 O ATOM 25082 C1* U A1173 208.524 155.518 -26.917 0.00 0.00 C ATOM 25083 N1 U A1173 208.055 156.501 -25.897 0.00 0.00 N ATOM 25084 C2 U A1173 207.889 157.832 -26.299 0.00 0.00 C ATOM 25085 O2 U A1173 208.145 158.230 -27.433 0.00 0.00 O ATOM 25086 N3 U A1173 207.425 158.720 -25.346 0.00 0.00 N ATOM 25087 C4 U A1173 207.105 158.419 -24.042 0.00 0.00 C ATOM 25088 O4 U A1173 206.677 159.307 -23.310 0.00 0.00 O ATOM 25089 C5 U A1173 207.334 157.030 -23.687 0.00 0.00 C ATOM 25090 C6 U A1173 207.805 156.131 -24.592 0.00 0.00 C ATOM 25091 P G A1174 213.015 154.425 -25.661 0.00 0.00 P ATOM 25092 O1P G A1174 214.211 153.758 -26.211 0.00 0.00 O ATOM 25093 O2P G A1174 212.728 154.314 -24.214 0.00 0.00 O ATOM 25094 O5* G A1174 213.030 155.984 -26.091 0.00 0.00 O ATOM 25095 C5* G A1174 213.473 156.391 -27.379 0.00 0.00 C ATOM 25096 C4* G A1174 213.320 157.902 -27.568 0.00 0.00 C ATOM 25097 O4* G A1174 211.955 158.289 -27.446 0.00 0.00 O ATOM 25098 C3* G A1174 214.096 158.749 -26.558 0.00 0.00 C ATOM 25099 O3* G A1174 215.500 158.803 -26.785 0.00 0.00 O ATOM 25100 C2* G A1174 213.365 160.079 -26.768 0.00 0.00 C ATOM 25101 O2* G A1174 213.708 160.749 -27.974 0.00 0.00 O ATOM 25102 C1* G A1174 211.917 159.605 -26.917 0.00 0.00 C ATOM 25103 N9 G A1174 211.217 159.678 -25.614 0.00 0.00 N ATOM 25104 C8 G A1174 210.887 158.713 -24.697 0.00 0.00 C ATOM 25105 N7 G A1174 210.282 159.180 -23.634 0.00 0.00 N ATOM 25106 C5 G A1174 210.231 160.564 -23.839 0.00 0.00 C ATOM 25107 C6 G A1174 209.728 161.665 -23.049 0.00 0.00 C ATOM 25108 O6 G A1174 209.149 161.676 -21.960 0.00 0.00 O ATOM 25109 N1 G A1174 209.943 162.901 -23.649 0.00 0.00 N ATOM 25110 C2 G A1174 210.525 163.056 -24.876 0.00 0.00 C ATOM 25111 N2 G A1174 210.658 164.250 -25.391 0.00 0.00 N ATOM 25112 N3 G A1174 210.973 162.071 -25.636 0.00 0.00 N ATOM 25113 C4 G A1174 210.805 160.854 -25.057 0.00 0.00 C ATOM 25114 P G A1175 216.498 159.404 -25.676 0.00 0.00 P ATOM 25115 O1P G A1175 217.903 159.411 -26.131 0.00 0.00 O ATOM 25116 O2P G A1175 216.254 158.832 -24.341 0.00 0.00 O ATOM 25117 O5* G A1175 216.132 160.943 -25.513 0.00 0.00 O ATOM 25118 C5* G A1175 216.474 161.893 -26.504 0.00 0.00 C ATOM 25119 C4* G A1175 215.906 163.256 -26.108 0.00 0.00 C ATOM 25120 O4* G A1175 214.499 163.188 -25.875 0.00 0.00 O ATOM 25121 C3* G A1175 216.514 163.791 -24.819 0.00 0.00 C ATOM 25122 O3* G A1175 217.820 164.309 -24.985 0.00 0.00 O ATOM 25123 C2* G A1175 215.461 164.830 -24.442 0.00 0.00 C ATOM 25124 O2* G A1175 215.497 165.998 -25.250 0.00 0.00 O ATOM 25125 C1* G A1175 214.183 164.066 -24.795 0.00 0.00 C ATOM 25126 N9 G A1175 213.657 163.352 -23.603 0.00 0.00 N ATOM 25127 C8 G A1175 213.641 162.016 -23.293 0.00 0.00 C ATOM 25128 N7 G A1175 212.984 161.733 -22.199 0.00 0.00 N ATOM 25129 C5 G A1175 212.550 162.975 -21.719 0.00 0.00 C ATOM 25130 C6 G A1175 211.751 163.367 -20.577 0.00 0.00 C ATOM 25131 O6 G A1175 211.190 162.695 -19.712 0.00 0.00 O ATOM 25132 N1 G A1175 211.593 164.738 -20.463 0.00 0.00 N ATOM 25133 C2 G A1175 212.121 165.633 -21.348 0.00 0.00 C ATOM 25134 N2 G A1175 211.966 166.913 -21.099 0.00 0.00 N ATOM 25135 N3 G A1175 212.817 165.312 -22.435 0.00 0.00 N ATOM 25136 C4 G A1175 213.000 163.967 -22.565 0.00 0.00 C ATOM 25137 P A A1176 218.817 164.400 -23.736 0.00 0.00 P ATOM 25138 O1P A A1176 220.125 164.866 -24.241 0.00 0.00 O ATOM 25139 O2P A A1176 218.718 163.087 -23.041 0.00 0.00 O ATOM 25140 O5* A A1176 218.156 165.580 -22.837 0.00 0.00 O ATOM 25141 C5* A A1176 218.235 166.948 -23.240 0.00 0.00 C ATOM 25142 C4* A A1176 217.617 167.921 -22.223 0.00 0.00 C ATOM 25143 O4* A A1176 216.223 167.677 -22.049 0.00 0.00 O ATOM 25144 C3* A A1176 218.278 167.882 -20.845 0.00 0.00 C ATOM 25145 O3* A A1176 219.463 168.669 -20.798 0.00 0.00 O ATOM 25146 C2* A A1176 217.133 168.429 -19.985 0.00 0.00 C ATOM 25147 O2* A A1176 216.998 169.840 -20.011 0.00 0.00 O ATOM 25148 C1* A A1176 215.895 167.877 -20.679 0.00 0.00 C ATOM 25149 N9 A A1176 215.460 166.606 -20.061 0.00 0.00 N ATOM 25150 C8 A A1176 215.715 165.320 -20.467 0.00 0.00 C ATOM 25151 N7 A A1176 215.080 164.408 -19.783 0.00 0.00 N ATOM 25152 C5 A A1176 214.403 165.149 -18.810 0.00 0.00 C ATOM 25153 C6 A A1176 213.558 164.815 -17.726 0.00 0.00 C ATOM 25154 N6 A A1176 213.207 163.571 -17.460 0.00 0.00 N ATOM 25155 N1 A A1176 213.068 165.767 -16.912 0.00 0.00 N ATOM 25156 C2 A A1176 213.399 167.024 -17.192 0.00 0.00 C ATOM 25157 N3 A A1176 214.164 167.490 -18.176 0.00 0.00 N ATOM 25158 C4 A A1176 214.648 166.486 -18.958 0.00 0.00 C ATOM 25159 P G A1177 220.661 168.359 -19.763 0.00 0.00 P ATOM 25160 O1P G A1177 221.802 169.238 -20.084 0.00 0.00 O ATOM 25161 O2P G A1177 220.842 166.895 -19.702 0.00 0.00 O ATOM 25162 O5* G A1177 220.062 168.815 -18.345 0.00 0.00 O ATOM 25163 C5* G A1177 219.814 170.161 -18.008 0.00 0.00 C ATOM 25164 C4* G A1177 218.873 170.193 -16.794 0.00 0.00 C ATOM 25165 O4* G A1177 217.659 169.503 -17.091 0.00 0.00 O ATOM 25166 C3* G A1177 219.481 169.541 -15.552 0.00 0.00 C ATOM 25167 O3* G A1177 220.271 170.450 -14.788 0.00 0.00 O ATOM 25168 C2* G A1177 218.220 169.036 -14.834 0.00 0.00 C ATOM 25169 O2* G A1177 217.525 170.035 -14.097 0.00 0.00 O ATOM 25170 C1* G A1177 217.319 168.646 -16.005 0.00 0.00 C ATOM 25171 N9 G A1177 217.433 167.197 -16.325 0.00 0.00 N ATOM 25172 C8 G A1177 218.175 166.541 -17.285 0.00 0.00 C ATOM 25173 N7 G A1177 217.918 165.271 -17.384 0.00 0.00 N ATOM 25174 C5 G A1177 216.995 165.036 -16.374 0.00 0.00 C ATOM 25175 C6 G A1177 216.355 163.824 -15.962 0.00 0.00 C ATOM 25176 O6 G A1177 216.460 162.688 -16.415 0.00 0.00 O ATOM 25177 N1 G A1177 215.496 164.011 -14.898 0.00 0.00 N ATOM 25178 C2 G A1177 215.260 165.211 -14.297 0.00 0.00 C ATOM 25179 N2 G A1177 214.389 165.226 -13.305 0.00 0.00 N ATOM 25180 N3 G A1177 215.842 166.358 -14.650 0.00 0.00 N ATOM 25181 C4 G A1177 216.704 166.206 -15.705 0.00 0.00 C ATOM 25182 P G A1178 221.650 169.982 -14.099 0.00 0.00 P ATOM 25183 O1P G A1178 222.177 171.041 -13.197 0.00 0.00 O ATOM 25184 O2P G A1178 222.540 169.393 -15.126 0.00 0.00 O ATOM 25185 O5* G A1178 221.150 168.762 -13.199 0.00 0.00 O ATOM 25186 C5* G A1178 220.420 168.980 -12.010 0.00 0.00 C ATOM 25187 C4* G A1178 219.993 167.646 -11.408 0.00 0.00 C ATOM 25188 O4* G A1178 219.004 166.999 -12.207 0.00 0.00 O ATOM 25189 C3* G A1178 221.148 166.654 -11.251 0.00 0.00 C ATOM 25190 O3* G A1178 222.029 166.962 -10.171 0.00 0.00 O ATOM 25191 C2* G A1178 220.306 165.399 -11.070 0.00 0.00 C ATOM 25192 O2* G A1178 219.658 165.386 -9.808 0.00 0.00 O ATOM 25193 C1* G A1178 219.205 165.594 -12.119 0.00 0.00 C ATOM 25194 N9 G A1178 219.569 165.030 -13.443 0.00 0.00 N ATOM 25195 C8 G A1178 220.351 165.561 -14.440 0.00 0.00 C ATOM 25196 N7 G A1178 220.611 164.736 -15.418 0.00 0.00 N ATOM 25197 C5 G A1178 219.927 163.570 -15.062 0.00 0.00 C ATOM 25198 C6 G A1178 219.861 162.277 -15.697 0.00 0.00 C ATOM 25199 O6 G A1178 220.403 161.880 -16.739 0.00 0.00 O ATOM 25200 N1 G A1178 219.102 161.377 -14.963 0.00 0.00 N ATOM 25201 C2 G A1178 218.429 161.697 -13.820 0.00 0.00 C ATOM 25202 N2 G A1178 217.810 160.708 -13.239 0.00 0.00 N ATOM 25203 N3 G A1178 218.434 162.885 -13.220 0.00 0.00 N ATOM 25204 C4 G A1178 219.237 163.772 -13.880 0.00 0.00 C ATOM 25205 P A A1179 223.578 166.509 -10.177 0.00 0.00 P ATOM 25206 O1P A A1179 224.352 167.425 -9.318 0.00 0.00 O ATOM 25207 O2P A A1179 223.995 166.408 -11.583 0.00 0.00 O ATOM 25208 O5* A A1179 223.684 165.025 -9.582 0.00 0.00 O ATOM 25209 C5* A A1179 224.879 164.274 -9.746 0.00 0.00 C ATOM 25210 C4* A A1179 224.690 162.807 -9.364 0.00 0.00 C ATOM 25211 O4* A A1179 224.347 162.673 -7.989 0.00 0.00 O ATOM 25212 C3* A A1179 223.600 162.114 -10.179 0.00 0.00 C ATOM 25213 O3* A A1179 224.053 161.646 -11.438 0.00 0.00 O ATOM 25214 C2* A A1179 223.263 160.977 -9.218 0.00 0.00 C ATOM 25215 O2* A A1179 224.241 159.934 -9.216 0.00 0.00 O ATOM 25216 C1* A A1179 223.351 161.666 -7.864 0.00 0.00 C ATOM 25217 N9 A A1179 222.045 162.235 -7.451 0.00 0.00 N ATOM 25218 C8 A A1179 221.532 163.496 -7.659 0.00 0.00 C ATOM 25219 N7 A A1179 220.411 163.726 -7.031 0.00 0.00 N ATOM 25220 C5 A A1179 220.165 162.532 -6.350 0.00 0.00 C ATOM 25221 C6 A A1179 219.183 162.110 -5.423 0.00 0.00 C ATOM 25222 N6 A A1179 218.191 162.877 -5.002 0.00 0.00 N ATOM 25223 N1 A A1179 219.243 160.889 -4.872 0.00 0.00 N ATOM 25224 C2 A A1179 220.238 160.093 -5.256 0.00 0.00 C ATOM 25225 N3 A A1179 221.222 160.349 -6.114 0.00 0.00 N ATOM 25226 C4 A A1179 221.133 161.605 -6.632 0.00 0.00 C ATOM 25227 P A A1180 223.050 161.412 -12.671 0.00 0.00 P ATOM 25228 O1P A A1180 223.863 160.843 -13.781 0.00 0.00 O ATOM 25229 O2P A A1180 222.280 162.657 -12.870 0.00 0.00 O ATOM 25230 O5* A A1180 222.008 160.306 -12.113 0.00 0.00 O ATOM 25231 C5* A A1180 222.350 158.962 -11.827 0.00 0.00 C ATOM 25232 C4* A A1180 221.212 158.274 -11.047 0.00 0.00 C ATOM 25233 O4* A A1180 220.956 158.870 -9.779 0.00 0.00 O ATOM 25234 C3* A A1180 219.894 158.268 -11.807 0.00 0.00 C ATOM 25235 O3* A A1180 219.936 157.220 -12.764 0.00 0.00 O ATOM 25236 C2* A A1180 218.898 158.115 -10.643 0.00 0.00 C ATOM 25237 O2* A A1180 218.830 156.795 -10.108 0.00 0.00 O ATOM 25238 C1* A A1180 219.557 158.976 -9.556 0.00 0.00 C ATOM 25239 N9 A A1180 219.113 160.401 -9.522 0.00 0.00 N ATOM 25240 C8 A A1180 219.622 161.508 -10.169 0.00 0.00 C ATOM 25241 N7 A A1180 219.052 162.639 -9.840 0.00 0.00 N ATOM 25242 C5 A A1180 218.066 162.252 -8.929 0.00 0.00 C ATOM 25243 C6 A A1180 217.054 162.939 -8.210 0.00 0.00 C ATOM 25244 N6 A A1180 216.845 164.249 -8.255 0.00 0.00 N ATOM 25245 N1 A A1180 216.209 162.273 -7.411 0.00 0.00 N ATOM 25246 C2 A A1180 216.393 160.959 -7.289 0.00 0.00 C ATOM 25247 N3 A A1180 217.304 160.186 -7.881 0.00 0.00 N ATOM 25248 C4 A A1180 218.110 160.898 -8.716 0.00 0.00 C ATOM 25249 P G A1181 219.086 157.233 -14.125 0.00 0.00 P ATOM 25250 O1P G A1181 219.677 156.228 -15.040 0.00 0.00 O ATOM 25251 O2P G A1181 218.903 158.629 -14.594 0.00 0.00 O ATOM 25252 O5* G A1181 217.642 156.737 -13.691 0.00 0.00 O ATOM 25253 C5* G A1181 217.411 155.563 -12.932 0.00 0.00 C ATOM 25254 C4* G A1181 215.913 155.544 -12.663 0.00 0.00 C ATOM 25255 O4* G A1181 215.529 156.794 -12.094 0.00 0.00 O ATOM 25256 C3* G A1181 215.102 155.353 -13.944 0.00 0.00 C ATOM 25257 O3* G A1181 215.040 154.005 -14.403 0.00 0.00 O ATOM 25258 C2* G A1181 213.791 155.966 -13.457 0.00 0.00 C ATOM 25259 O2* G A1181 213.131 155.190 -12.489 0.00 0.00 O ATOM 25260 C1* G A1181 214.273 157.146 -12.638 0.00 0.00 C ATOM 25261 N9 G A1181 214.330 158.378 -13.443 0.00 0.00 N ATOM 25262 C8 G A1181 215.144 158.751 -14.480 0.00 0.00 C ATOM 25263 N7 G A1181 214.864 159.929 -14.975 0.00 0.00 N ATOM 25264 C5 G A1181 213.805 160.382 -14.178 0.00 0.00 C ATOM 25265 C6 G A1181 213.071 161.617 -14.136 0.00 0.00 C ATOM 25266 O6 G A1181 213.209 162.622 -14.820 0.00 0.00 O ATOM 25267 N1 G A1181 212.092 161.666 -13.156 0.00 0.00 N ATOM 25268 C2 G A1181 211.841 160.615 -12.315 0.00 0.00 C ATOM 25269 N2 G A1181 210.932 160.720 -11.385 0.00 0.00 N ATOM 25270 N3 G A1181 212.496 159.467 -12.323 0.00 0.00 N ATOM 25271 C4 G A1181 213.467 159.416 -13.266 0.00 0.00 C ATOM 25272 P G A1182 214.338 153.647 -15.803 0.00 0.00 P ATOM 25273 O1P G A1182 214.637 152.256 -16.218 0.00 0.00 O ATOM 25274 O2P G A1182 214.602 154.723 -16.777 0.00 0.00 O ATOM 25275 O5* G A1182 212.768 153.639 -15.490 0.00 0.00 O ATOM 25276 C5* G A1182 212.224 152.890 -14.407 0.00 0.00 C ATOM 25277 C4* G A1182 210.841 153.443 -14.046 0.00 0.00 C ATOM 25278 O4* G A1182 210.876 154.854 -13.865 0.00 0.00 O ATOM 25279 C3* G A1182 209.844 153.177 -15.167 0.00 0.00 C ATOM 25280 O3* G A1182 209.337 151.854 -15.196 0.00 0.00 O ATOM 25281 C2* G A1182 208.928 154.414 -15.170 0.00 0.00 C ATOM 25282 O2* G A1182 207.952 154.571 -14.178 0.00 0.00 O ATOM 25283 C1* G A1182 209.893 155.478 -14.686 0.00 0.00 C ATOM 25284 N9 G A1182 210.485 156.277 -15.770 0.00 0.00 N ATOM 25285 C8 G A1182 211.160 155.891 -16.898 0.00 0.00 C ATOM 25286 N7 G A1182 211.629 156.888 -17.596 0.00 0.00 N ATOM 25287 C5 G A1182 211.178 158.023 -16.914 0.00 0.00 C ATOM 25288 C6 G A1182 211.355 159.429 -17.160 0.00 0.00 C ATOM 25289 O6 G A1182 212.007 159.982 -18.037 0.00 0.00 O ATOM 25290 N1 G A1182 210.697 160.243 -16.248 0.00 0.00 N ATOM 25291 C2 G A1182 209.975 159.755 -15.196 0.00 0.00 C ATOM 25292 N2 G A1182 209.397 160.614 -14.393 0.00 0.00 N ATOM 25293 N3 G A1182 209.833 158.463 -14.911 0.00 0.00 N ATOM 25294 C4 G A1182 210.450 157.646 -15.811 0.00 0.00 C ATOM 25295 P U A1183 208.314 151.214 -14.142 0.00 0.00 P ATOM 25296 O1P U A1183 208.100 149.839 -14.644 0.00 0.00 O ATOM 25297 O2P U A1183 207.169 152.141 -14.061 0.00 0.00 O ATOM 25298 O5* U A1183 209.049 151.157 -12.692 0.00 0.00 O ATOM 25299 C5* U A1183 208.617 151.977 -11.600 0.00 0.00 C ATOM 25300 C4* U A1183 209.034 151.399 -10.242 0.00 0.00 C ATOM 25301 O4* U A1183 208.404 150.136 -10.116 0.00 0.00 O ATOM 25302 C3* U A1183 210.539 151.231 -9.980 0.00 0.00 C ATOM 25303 O3* U A1183 211.030 152.451 -9.411 0.00 0.00 O ATOM 25304 C2* U A1183 210.514 149.991 -9.057 0.00 0.00 C ATOM 25305 O2* U A1183 210.548 150.303 -7.686 0.00 0.00 O ATOM 25306 C1* U A1183 209.156 149.324 -9.243 0.00 0.00 C ATOM 25307 N1 U A1183 209.251 147.932 -9.751 0.00 0.00 N ATOM 25308 C2 U A1183 209.068 146.881 -8.845 0.00 0.00 C ATOM 25309 O2 U A1183 208.887 147.040 -7.645 0.00 0.00 O ATOM 25310 N3 U A1183 209.112 145.596 -9.349 0.00 0.00 N ATOM 25311 C4 U A1183 209.378 145.269 -10.662 0.00 0.00 C ATOM 25312 O4 U A1183 209.468 144.092 -10.981 0.00 0.00 O ATOM 25313 C5 U A1183 209.553 146.404 -11.545 0.00 0.00 C ATOM 25314 C6 U A1183 209.484 147.679 -11.082 0.00 0.00 C ATOM 25315 P G A1184 212.481 152.679 -8.721 0.00 0.00 P ATOM 25316 O1P G A1184 212.994 151.374 -8.237 0.00 0.00 O ATOM 25317 O2P G A1184 212.300 153.731 -7.713 0.00 0.00 O ATOM 25318 O5* G A1184 213.486 153.314 -9.820 0.00 0.00 O ATOM 25319 C5* G A1184 214.177 152.609 -10.839 0.00 0.00 C ATOM 25320 C4* G A1184 215.694 152.569 -10.589 0.00 0.00 C ATOM 25321 O4* G A1184 216.218 153.747 -9.979 0.00 0.00 O ATOM 25322 C3* G A1184 216.113 151.393 -9.735 0.00 0.00 C ATOM 25323 O3* G A1184 216.170 150.236 -10.557 0.00 0.00 O ATOM 25324 C2* G A1184 217.466 151.892 -9.215 0.00 0.00 C ATOM 25325 O2* G A1184 218.509 151.724 -10.169 0.00 0.00 O ATOM 25326 C1* G A1184 217.209 153.394 -9.032 0.00 0.00 C ATOM 25327 N9 G A1184 216.723 153.744 -7.672 0.00 0.00 N ATOM 25328 C8 G A1184 215.517 154.274 -7.281 0.00 0.00 C ATOM 25329 N7 G A1184 215.399 154.435 -5.992 0.00 0.00 N ATOM 25330 C5 G A1184 216.617 153.992 -5.480 0.00 0.00 C ATOM 25331 C6 G A1184 217.101 153.877 -4.132 0.00 0.00 C ATOM 25332 O6 G A1184 216.544 154.170 -3.081 0.00 0.00 O ATOM 25333 N1 G A1184 218.382 153.348 -4.044 0.00 0.00 N ATOM 25334 C2 G A1184 219.141 153.065 -5.155 0.00 0.00 C ATOM 25335 N2 G A1184 220.362 152.602 -5.037 0.00 0.00 N ATOM 25336 N3 G A1184 218.726 153.166 -6.414 0.00 0.00 N ATOM 25337 C4 G A1184 217.447 153.617 -6.512 0.00 0.00 C ATOM 25338 P G A1185 215.879 148.781 -9.965 0.00 0.00 P ATOM 25339 O1P G A1185 215.748 147.839 -11.101 0.00 0.00 O ATOM 25340 O2P G A1185 214.818 148.917 -8.935 0.00 0.00 O ATOM 25341 O5* G A1185 217.226 148.462 -9.179 0.00 0.00 O ATOM 25342 C5* G A1185 218.429 148.050 -9.793 0.00 0.00 C ATOM 25343 C4* G A1185 219.435 147.740 -8.680 0.00 0.00 C ATOM 25344 O4* G A1185 219.786 148.934 -7.987 0.00 0.00 O ATOM 25345 C3* G A1185 218.881 146.760 -7.635 0.00 0.00 C ATOM 25346 O3* G A1185 218.868 145.412 -8.091 0.00 0.00 O ATOM 25347 C2* G A1185 219.806 147.098 -6.456 0.00 0.00 C ATOM 25348 O2* G A1185 221.124 146.580 -6.566 0.00 0.00 O ATOM 25349 C1* G A1185 219.879 148.624 -6.605 0.00 0.00 C ATOM 25350 N9 G A1185 218.775 149.277 -5.864 0.00 0.00 N ATOM 25351 C8 G A1185 217.563 149.753 -6.298 0.00 0.00 C ATOM 25352 N7 G A1185 216.825 150.299 -5.367 0.00 0.00 N ATOM 25353 C5 G A1185 217.608 150.144 -4.208 0.00 0.00 C ATOM 25354 C6 G A1185 217.410 150.536 -2.836 0.00 0.00 C ATOM 25355 O6 G A1185 216.480 151.153 -2.341 0.00 0.00 O ATOM 25356 N1 G A1185 218.455 150.192 -1.984 0.00 0.00 N ATOM 25357 C2 G A1185 219.552 149.482 -2.416 0.00 0.00 C ATOM 25358 N2 G A1185 220.452 148.998 -1.597 0.00 0.00 N ATOM 25359 N3 G A1185 219.789 149.150 -3.675 0.00 0.00 N ATOM 25360 C4 G A1185 218.787 149.509 -4.520 0.00 0.00 C ATOM 25361 P G A1186 217.928 144.277 -7.427 0.00 0.00 P ATOM 25362 O1P G A1186 218.170 142.993 -8.121 0.00 0.00 O ATOM 25363 O2P G A1186 216.531 144.751 -7.285 0.00 0.00 O ATOM 25364 O5* G A1186 218.504 144.155 -5.943 0.00 0.00 O ATOM 25365 C5* G A1186 219.729 143.503 -5.682 0.00 0.00 C ATOM 25366 C4* G A1186 219.960 143.444 -4.174 0.00 0.00 C ATOM 25367 O4* G A1186 220.174 144.747 -3.633 0.00 0.00 O ATOM 25368 C3* G A1186 218.783 142.850 -3.398 0.00 0.00 C ATOM 25369 O3* G A1186 218.648 141.436 -3.504 0.00 0.00 O ATOM 25370 C2* G A1186 219.144 143.377 -2.005 0.00 0.00 C ATOM 25371 O2* G A1186 220.248 142.705 -1.406 0.00 0.00 O ATOM 25372 C1* G A1186 219.578 144.806 -2.341 0.00 0.00 C ATOM 25373 N9 G A1186 218.420 145.740 -2.310 0.00 0.00 N ATOM 25374 C8 G A1186 217.670 146.262 -3.334 0.00 0.00 C ATOM 25375 N7 G A1186 216.722 147.076 -2.947 0.00 0.00 N ATOM 25376 C5 G A1186 216.810 147.066 -1.550 0.00 0.00 C ATOM 25377 C6 G A1186 216.033 147.713 -0.515 0.00 0.00 C ATOM 25378 O6 G A1186 215.094 148.500 -0.592 0.00 0.00 O ATOM 25379 N1 G A1186 216.443 147.381 0.763 0.00 0.00 N ATOM 25380 C2 G A1186 217.492 146.556 1.023 0.00 0.00 C ATOM 25381 N2 G A1186 217.779 146.339 2.273 0.00 0.00 N ATOM 25382 N3 G A1186 218.252 145.968 0.102 0.00 0.00 N ATOM 25383 C4 G A1186 217.854 146.249 -1.167 0.00 0.00 C ATOM 25384 P G A1187 217.343 140.687 -2.916 0.00 0.00 P ATOM 25385 O1P G A1187 217.432 139.239 -3.185 0.00 0.00 O ATOM 25386 O2P G A1187 216.114 141.435 -3.278 0.00 0.00 O ATOM 25387 O5* G A1187 217.663 140.891 -1.364 0.00 0.00 O ATOM 25388 C5* G A1187 216.730 140.560 -0.374 0.00 0.00 C ATOM 25389 C4* G A1187 217.200 141.082 0.976 0.00 0.00 C ATOM 25390 O4* G A1187 217.341 142.499 0.996 0.00 0.00 O ATOM 25391 C3* G A1187 216.128 140.725 1.989 0.00 0.00 C ATOM 25392 O3* G A1187 216.313 139.430 2.514 0.00 0.00 O ATOM 25393 C2* G A1187 216.356 141.808 3.014 0.00 0.00 C ATOM 25394 O2* G A1187 217.476 141.500 3.822 0.00 0.00 O ATOM 25395 C1* G A1187 216.703 143.025 2.154 0.00 0.00 C ATOM 25396 N9 G A1187 215.522 143.824 1.738 0.00 0.00 N ATOM 25397 C8 G A1187 215.124 144.124 0.459 0.00 0.00 C ATOM 25398 N7 G A1187 214.100 144.924 0.383 0.00 0.00 N ATOM 25399 C5 G A1187 213.793 145.200 1.717 0.00 0.00 C ATOM 25400 C6 G A1187 212.775 146.038 2.292 0.00 0.00 C ATOM 25401 O6 G A1187 211.903 146.717 1.749 0.00 0.00 O ATOM 25402 N1 G A1187 212.814 146.054 3.675 0.00 0.00 N ATOM 25403 C2 G A1187 213.718 145.350 4.426 0.00 0.00 C ATOM 25404 N2 G A1187 213.611 145.431 5.735 0.00 0.00 N ATOM 25405 N3 G A1187 214.675 144.557 3.931 0.00 0.00 N ATOM 25406 C4 G A1187 214.664 144.529 2.559 0.00 0.00 C ATOM 25407 P A A1188 215.062 138.507 2.847 0.00 0.00 P ATOM 25408 O1P A A1188 215.598 137.260 3.422 0.00 0.00 O ATOM 25409 O2P A A1188 214.254 138.484 1.594 0.00 0.00 O ATOM 25410 O5* A A1188 214.286 139.351 4.002 0.00 0.00 O ATOM 25411 C5* A A1188 214.785 139.462 5.336 0.00 0.00 C ATOM 25412 C4* A A1188 213.921 140.386 6.217 0.00 0.00 C ATOM 25413 O4* A A1188 213.898 141.720 5.712 0.00 0.00 O ATOM 25414 C3* A A1188 212.466 139.935 6.344 0.00 0.00 C ATOM 25415 O3* A A1188 212.242 139.003 7.385 0.00 0.00 O ATOM 25416 C2* A A1188 211.755 141.259 6.640 0.00 0.00 C ATOM 25417 O2* A A1188 211.838 141.663 8.005 0.00 0.00 O ATOM 25418 C1* A A1188 212.574 142.235 5.799 0.00 0.00 C ATOM 25419 N9 A A1188 212.003 142.421 4.443 0.00 0.00 N ATOM 25420 C8 A A1188 212.420 141.903 3.240 0.00 0.00 C ATOM 25421 N7 A A1188 211.776 142.368 2.203 0.00 0.00 N ATOM 25422 C5 A A1188 210.855 143.257 2.765 0.00 0.00 C ATOM 25423 C6 A A1188 209.862 144.122 2.243 0.00 0.00 C ATOM 25424 N6 A A1188 209.604 144.279 0.953 0.00 0.00 N ATOM 25425 N1 A A1188 209.118 144.872 3.064 0.00 0.00 N ATOM 25426 C2 A A1188 209.362 144.802 4.366 0.00 0.00 C ATOM 25427 N3 A A1188 210.262 144.048 4.996 0.00 0.00 N ATOM 25428 C4 A A1188 210.980 143.283 4.129 0.00 0.00 C ATOM 25429 P U A1189 211.372 137.688 7.125 0.00 0.00 P ATOM 25430 O1P U A1189 211.014 137.207 8.477 0.00 0.00 O ATOM 25431 O2P U A1189 212.107 136.831 6.180 0.00 0.00 O ATOM 25432 O5* U A1189 210.045 138.260 6.413 0.00 0.00 O ATOM 25433 C5* U A1189 209.032 138.899 7.168 0.00 0.00 C ATOM 25434 C4* U A1189 208.039 139.671 6.286 0.00 0.00 C ATOM 25435 O4* U A1189 208.742 140.562 5.427 0.00 0.00 O ATOM 25436 C3* U A1189 207.106 138.857 5.386 0.00 0.00 C ATOM 25437 O3* U A1189 205.904 138.467 6.014 0.00 0.00 O ATOM 25438 C2* U A1189 206.739 139.934 4.353 0.00 0.00 C ATOM 25439 O2* U A1189 205.758 140.868 4.811 0.00 0.00 O ATOM 25440 C1* U A1189 208.036 140.723 4.208 0.00 0.00 C ATOM 25441 N1 U A1189 208.815 140.284 3.016 0.00 0.00 N ATOM 25442 C2 U A1189 208.468 140.850 1.784 0.00 0.00 C ATOM 25443 O2 U A1189 207.558 141.666 1.669 0.00 0.00 O ATOM 25444 N3 U A1189 209.205 140.466 0.674 0.00 0.00 N ATOM 25445 C4 U A1189 210.261 139.570 0.692 0.00 0.00 C ATOM 25446 O4 U A1189 210.858 139.297 -0.347 0.00 0.00 O ATOM 25447 C5 U A1189 210.550 139.015 2.000 0.00 0.00 C ATOM 25448 C6 U A1189 209.839 139.369 3.102 0.00 0.00 C ATOM 25449 P G A1190 205.584 137.006 6.558 0.00 0.00 P ATOM 25450 O1P G A1190 204.409 137.163 7.435 0.00 0.00 O ATOM 25451 O2P G A1190 206.798 136.377 7.105 0.00 0.00 O ATOM 25452 O5* G A1190 205.122 136.162 5.282 0.00 0.00 O ATOM 25453 C5* G A1190 203.875 136.452 4.689 0.00 0.00 C ATOM 25454 C4* G A1190 203.721 135.751 3.342 0.00 0.00 C ATOM 25455 O4* G A1190 204.835 136.098 2.535 0.00 0.00 O ATOM 25456 C3* G A1190 203.681 134.231 3.399 0.00 0.00 C ATOM 25457 O3* G A1190 202.465 133.707 3.943 0.00 0.00 O ATOM 25458 C2* G A1190 204.100 133.940 1.950 0.00 0.00 C ATOM 25459 O2* G A1190 203.158 134.214 0.935 0.00 0.00 O ATOM 25460 C1* G A1190 205.127 135.012 1.679 0.00 0.00 C ATOM 25461 N9 G A1190 206.478 134.463 1.836 0.00 0.00 N ATOM 25462 C8 G A1190 207.402 134.636 2.829 0.00 0.00 C ATOM 25463 N7 G A1190 208.581 134.164 2.523 0.00 0.00 N ATOM 25464 C5 G A1190 208.420 133.619 1.243 0.00 0.00 C ATOM 25465 C6 G A1190 209.344 133.029 0.307 0.00 0.00 C ATOM 25466 O6 G A1190 210.553 132.853 0.410 0.00 0.00 O ATOM 25467 N1 G A1190 208.753 132.647 -0.893 0.00 0.00 N ATOM 25468 C2 G A1190 207.415 132.795 -1.147 0.00 0.00 C ATOM 25469 N2 G A1190 206.927 132.383 -2.286 0.00 0.00 N ATOM 25470 N3 G A1190 206.536 133.336 -0.310 0.00 0.00 N ATOM 25471 C4 G A1190 207.107 133.744 0.857 0.00 0.00 C ATOM 25472 P A A1191 201.306 132.926 3.131 0.00 0.00 P ATOM 25473 O1P A A1191 200.394 132.296 4.104 0.00 0.00 O ATOM 25474 O2P A A1191 201.934 132.112 2.054 0.00 0.00 O ATOM 25475 O5* A A1191 200.524 134.114 2.404 0.00 0.00 O ATOM 25476 C5* A A1191 199.679 135.012 3.106 0.00 0.00 C ATOM 25477 C4* A A1191 198.251 134.998 2.543 0.00 0.00 C ATOM 25478 O4* A A1191 198.312 135.216 1.143 0.00 0.00 O ATOM 25479 C3* A A1191 197.402 133.753 2.792 0.00 0.00 C ATOM 25480 O3* A A1191 196.734 133.911 4.046 0.00 0.00 O ATOM 25481 C2* A A1191 196.458 133.858 1.575 0.00 0.00 C ATOM 25482 O2* A A1191 195.393 134.771 1.859 0.00 0.00 O ATOM 25483 C1* A A1191 197.313 134.492 0.462 0.00 0.00 C ATOM 25484 N9 A A1191 197.999 133.595 -0.524 0.00 0.00 N ATOM 25485 C8 A A1191 199.348 133.334 -0.632 0.00 0.00 C ATOM 25486 N7 A A1191 199.709 132.707 -1.723 0.00 0.00 N ATOM 25487 C5 A A1191 198.498 132.536 -2.413 0.00 0.00 C ATOM 25488 C6 A A1191 198.121 131.977 -3.672 0.00 0.00 C ATOM 25489 N6 A A1191 198.927 131.416 -4.560 0.00 0.00 N ATOM 25490 N1 A A1191 196.853 132.041 -4.100 0.00 0.00 N ATOM 25491 C2 A A1191 195.965 132.608 -3.290 0.00 0.00 C ATOM 25492 N3 A A1191 196.157 133.151 -2.085 0.00 0.00 N ATOM 25493 C4 A A1191 197.461 133.083 -1.692 0.00 0.00 C ATOM 25494 P C A1192 196.118 132.688 4.896 0.00 0.00 P ATOM 25495 O1P C A1192 195.416 133.278 6.063 0.00 0.00 O ATOM 25496 O2P C A1192 197.189 131.701 5.136 0.00 0.00 O ATOM 25497 O5* C A1192 195.018 132.033 3.910 0.00 0.00 O ATOM 25498 C5* C A1192 193.683 132.511 3.865 0.00 0.00 C ATOM 25499 C4* C A1192 192.805 131.669 2.929 0.00 0.00 C ATOM 25500 O4* C A1192 193.184 131.837 1.566 0.00 0.00 O ATOM 25501 C3* C A1192 192.864 130.171 3.216 0.00 0.00 C ATOM 25502 O3* C A1192 192.067 129.770 4.317 0.00 0.00 O ATOM 25503 C2* C A1192 192.358 129.628 1.878 0.00 0.00 C ATOM 25504 O2* C A1192 190.947 129.736 1.710 0.00 0.00 O ATOM 25505 C1* C A1192 193.000 130.598 0.886 0.00 0.00 C ATOM 25506 N1 C A1192 194.276 130.075 0.314 0.00 0.00 N ATOM 25507 C2 C A1192 194.199 129.299 -0.846 0.00 0.00 C ATOM 25508 O2 C A1192 193.116 128.903 -1.262 0.00 0.00 O ATOM 25509 N3 C A1192 195.329 128.972 -1.520 0.00 0.00 N ATOM 25510 C4 C A1192 196.500 129.371 -1.065 0.00 0.00 C ATOM 25511 N4 C A1192 197.502 128.992 -1.817 0.00 0.00 N ATOM 25512 C5 C A1192 196.645 130.096 0.161 0.00 0.00 C ATOM 25513 C6 C A1192 195.505 130.407 0.831 0.00 0.00 C ATOM 25514 P G A1193 192.391 128.404 5.105 0.00 0.00 P ATOM 25515 O1P G A1193 191.279 128.123 6.034 0.00 0.00 O ATOM 25516 O2P G A1193 193.760 128.520 5.646 0.00 0.00 O ATOM 25517 O5* G A1193 192.394 127.279 3.944 0.00 0.00 O ATOM 25518 C5* G A1193 193.339 126.221 3.937 0.00 0.00 C ATOM 25519 C4* G A1193 193.606 125.760 2.504 0.00 0.00 C ATOM 25520 O4* G A1193 194.257 126.799 1.777 0.00 0.00 O ATOM 25521 C3* G A1193 194.570 124.576 2.449 0.00 0.00 C ATOM 25522 O3* G A1193 193.975 123.323 2.761 0.00 0.00 O ATOM 25523 C2* G A1193 195.080 124.721 1.011 0.00 0.00 C ATOM 25524 O2* G A1193 194.121 124.320 0.040 0.00 0.00 O ATOM 25525 C1* G A1193 195.240 126.243 0.917 0.00 0.00 C ATOM 25526 N9 G A1193 196.587 126.720 1.327 0.00 0.00 N ATOM 25527 C8 G A1193 196.943 127.591 2.327 0.00 0.00 C ATOM 25528 N7 G A1193 198.217 127.881 2.361 0.00 0.00 N ATOM 25529 C5 G A1193 198.760 127.165 1.292 0.00 0.00 C ATOM 25530 C6 G A1193 200.102 127.080 0.767 0.00 0.00 C ATOM 25531 O6 G A1193 201.137 127.649 1.123 0.00 0.00 O ATOM 25532 N1 G A1193 200.199 126.206 -0.305 0.00 0.00 N ATOM 25533 C2 G A1193 199.133 125.555 -0.857 0.00 0.00 C ATOM 25534 N2 G A1193 199.333 124.748 -1.869 0.00 0.00 N ATOM 25535 N3 G A1193 197.885 125.629 -0.413 0.00 0.00 N ATOM 25536 C4 G A1193 197.760 126.447 0.667 0.00 0.00 C ATOM 25537 P U A1194 194.881 122.074 3.191 0.00 0.00 P ATOM 25538 O1P U A1194 194.038 120.896 3.491 0.00 0.00 O ATOM 25539 O2P U A1194 195.837 122.530 4.226 0.00 0.00 O ATOM 25540 O5* U A1194 195.738 121.698 1.904 0.00 0.00 O ATOM 25541 C5* U A1194 195.145 121.195 0.718 0.00 0.00 C ATOM 25542 C4* U A1194 196.251 120.792 -0.261 0.00 0.00 C ATOM 25543 O4* U A1194 197.072 121.902 -0.609 0.00 0.00 O ATOM 25544 C3* U A1194 197.140 119.701 0.320 0.00 0.00 C ATOM 25545 O3* U A1194 196.500 118.433 0.150 0.00 0.00 O ATOM 25546 C2* U A1194 198.422 119.943 -0.488 0.00 0.00 C ATOM 25547 O2* U A1194 198.390 119.360 -1.782 0.00 0.00 O ATOM 25548 C1* U A1194 198.424 121.465 -0.691 0.00 0.00 C ATOM 25549 N1 U A1194 199.311 122.181 0.274 0.00 0.00 N ATOM 25550 C2 U A1194 200.677 122.249 -0.031 0.00 0.00 C ATOM 25551 O2 U A1194 201.173 121.687 -1.005 0.00 0.00 O ATOM 25552 N3 U A1194 201.478 122.988 0.821 0.00 0.00 N ATOM 25553 C4 U A1194 201.037 123.683 1.927 0.00 0.00 C ATOM 25554 O4 U A1194 201.828 124.324 2.605 0.00 0.00 O ATOM 25555 C5 U A1194 199.616 123.577 2.181 0.00 0.00 C ATOM 25556 C6 U A1194 198.807 122.845 1.373 0.00 0.00 C ATOM 25557 P C A1195 196.657 117.235 1.208 0.00 0.00 P ATOM 25558 O1P C A1195 195.732 116.120 0.842 0.00 0.00 O ATOM 25559 O2P C A1195 196.511 117.851 2.548 0.00 0.00 O ATOM 25560 O5* C A1195 198.200 116.818 1.013 0.00 0.00 O ATOM 25561 C5* C A1195 198.722 116.339 -0.218 0.00 0.00 C ATOM 25562 C4* C A1195 200.264 116.284 -0.189 0.00 0.00 C ATOM 25563 O4* C A1195 200.860 117.579 -0.097 0.00 0.00 O ATOM 25564 C3* C A1195 200.774 115.434 0.973 0.00 0.00 C ATOM 25565 O3* C A1195 200.654 114.055 0.569 0.00 0.00 O ATOM 25566 C2* C A1195 202.153 116.085 1.223 0.00 0.00 C ATOM 25567 O2* C A1195 203.202 115.557 0.426 0.00 0.00 O ATOM 25568 C1* C A1195 201.993 117.547 0.774 0.00 0.00 C ATOM 25569 N1 C A1195 201.834 118.557 1.878 0.00 0.00 N ATOM 25570 C2 C A1195 202.939 119.318 2.329 0.00 0.00 C ATOM 25571 O2 C A1195 204.092 119.093 1.948 0.00 0.00 O ATOM 25572 N3 C A1195 202.747 120.356 3.198 0.00 0.00 N ATOM 25573 C4 C A1195 201.514 120.640 3.608 0.00 0.00 C ATOM 25574 N4 C A1195 201.346 121.665 4.412 0.00 0.00 N ATOM 25575 C5 C A1195 200.368 119.919 3.167 0.00 0.00 C ATOM 25576 C6 C A1195 200.574 118.878 2.326 0.00 0.00 C ATOM 25577 P A A1196 200.937 112.741 1.483 0.00 0.00 P ATOM 25578 O1P A A1196 202.345 112.742 1.918 0.00 0.00 O ATOM 25579 O2P A A1196 200.465 111.568 0.704 0.00 0.00 O ATOM 25580 O5* A A1196 199.988 112.762 2.795 0.00 0.00 O ATOM 25581 C5* A A1196 199.807 113.916 3.601 0.00 0.00 C ATOM 25582 C4* A A1196 199.349 113.600 5.030 0.00 0.00 C ATOM 25583 O4* A A1196 198.093 112.946 4.999 0.00 0.00 O ATOM 25584 C3* A A1196 200.210 112.619 5.837 0.00 0.00 C ATOM 25585 O3* A A1196 201.472 113.002 6.368 0.00 0.00 O ATOM 25586 C2* A A1196 199.237 112.124 6.924 0.00 0.00 C ATOM 25587 O2* A A1196 199.216 112.853 8.138 0.00 0.00 O ATOM 25588 C1* A A1196 197.878 112.433 6.299 0.00 0.00 C ATOM 25589 N9 A A1196 196.926 111.307 6.294 0.00 0.00 N ATOM 25590 C8 A A1196 197.139 109.966 6.080 0.00 0.00 C ATOM 25591 N7 A A1196 196.063 109.221 6.148 0.00 0.00 N ATOM 25592 C5 A A1196 195.062 110.166 6.440 0.00 0.00 C ATOM 25593 C6 A A1196 193.661 110.109 6.638 0.00 0.00 C ATOM 25594 N6 A A1196 192.928 109.009 6.556 0.00 0.00 N ATOM 25595 N1 A A1196 192.959 111.208 6.929 0.00 0.00 N ATOM 25596 C2 A A1196 193.617 112.359 7.023 0.00 0.00 C ATOM 25597 N3 A A1196 194.915 112.576 6.858 0.00 0.00 N ATOM 25598 C4 A A1196 195.587 111.428 6.558 0.00 0.00 C ATOM 25599 P A A1197 201.933 114.517 6.651 0.00 0.00 P ATOM 25600 O1P A A1197 203.118 114.476 7.518 0.00 0.00 O ATOM 25601 O2P A A1197 200.808 115.319 7.169 0.00 0.00 O ATOM 25602 O5* A A1197 202.358 115.073 5.209 0.00 0.00 O ATOM 25603 C5* A A1197 203.251 114.382 4.348 0.00 0.00 C ATOM 25604 C4* A A1197 204.643 115.001 4.227 0.00 0.00 C ATOM 25605 O4* A A1197 204.603 116.330 3.728 0.00 0.00 O ATOM 25606 C3* A A1197 205.502 114.958 5.491 0.00 0.00 C ATOM 25607 O3* A A1197 206.142 113.688 5.526 0.00 0.00 O ATOM 25608 C2* A A1197 206.448 116.124 5.192 0.00 0.00 C ATOM 25609 O2* A A1197 207.511 115.716 4.324 0.00 0.00 O ATOM 25610 C1* A A1197 205.509 117.119 4.478 0.00 0.00 C ATOM 25611 N9 A A1197 204.706 117.975 5.392 0.00 0.00 N ATOM 25612 C8 A A1197 203.342 117.972 5.603 0.00 0.00 C ATOM 25613 N7 A A1197 202.910 118.900 6.408 0.00 0.00 N ATOM 25614 C5 A A1197 204.072 119.604 6.709 0.00 0.00 C ATOM 25615 C6 A A1197 204.319 120.757 7.469 0.00 0.00 C ATOM 25616 N6 A A1197 203.351 121.388 8.114 0.00 0.00 N ATOM 25617 N1 A A1197 205.552 121.275 7.534 0.00 0.00 N ATOM 25618 C2 A A1197 206.528 120.643 6.887 0.00 0.00 C ATOM 25619 N3 A A1197 206.443 119.542 6.143 0.00 0.00 N ATOM 25620 C4 A A1197 205.167 119.066 6.091 0.00 0.00 C ATOM 25621 P G A1198 206.816 113.052 6.826 0.00 0.00 P ATOM 25622 O1P G A1198 207.814 112.107 6.282 0.00 0.00 O ATOM 25623 O2P G A1198 205.809 112.568 7.788 0.00 0.00 O ATOM 25624 O5* G A1198 207.611 114.256 7.527 0.00 0.00 O ATOM 25625 C5* G A1198 208.960 114.552 7.193 0.00 0.00 C ATOM 25626 C4* G A1198 209.566 115.606 8.107 0.00 0.00 C ATOM 25627 O4* G A1198 209.008 116.886 7.877 0.00 0.00 O ATOM 25628 C3* G A1198 209.309 115.308 9.572 0.00 0.00 C ATOM 25629 O3* G A1198 210.069 114.202 10.021 0.00 0.00 O ATOM 25630 C2* G A1198 209.634 116.668 10.181 0.00 0.00 C ATOM 25631 O2* G A1198 211.021 116.918 10.342 0.00 0.00 O ATOM 25632 C1* G A1198 209.100 117.609 9.095 0.00 0.00 C ATOM 25633 N9 G A1198 207.778 118.162 9.454 0.00 0.00 N ATOM 25634 C8 G A1198 206.518 117.779 9.070 0.00 0.00 C ATOM 25635 N7 G A1198 205.568 118.548 9.532 0.00 0.00 N ATOM 25636 C5 G A1198 206.242 119.498 10.310 0.00 0.00 C ATOM 25637 C6 G A1198 205.784 120.605 11.118 0.00 0.00 C ATOM 25638 O6 G A1198 204.649 121.040 11.320 0.00 0.00 O ATOM 25639 N1 G A1198 206.821 121.283 11.739 0.00 0.00 N ATOM 25640 C2 G A1198 208.141 120.956 11.598 0.00 0.00 C ATOM 25641 N2 G A1198 209.038 121.689 12.212 0.00 0.00 N ATOM 25642 N3 G A1198 208.597 119.938 10.877 0.00 0.00 N ATOM 25643 C4 G A1198 207.597 119.251 10.259 0.00 0.00 C ATOM 25644 P U A1199 209.601 113.354 11.284 0.00 0.00 P ATOM 25645 O1P U A1199 210.433 112.145 11.370 0.00 0.00 O ATOM 25646 O2P U A1199 208.117 113.235 11.255 0.00 0.00 O ATOM 25647 O5* U A1199 210.039 114.287 12.490 0.00 0.00 O ATOM 25648 C5* U A1199 211.387 114.563 12.812 0.00 0.00 C ATOM 25649 C4* U A1199 211.470 115.739 13.793 0.00 0.00 C ATOM 25650 O4* U A1199 210.840 116.910 13.260 0.00 0.00 O ATOM 25651 C3* U A1199 210.878 115.489 15.181 0.00 0.00 C ATOM 25652 O3* U A1199 211.800 114.826 16.017 0.00 0.00 O ATOM 25653 C2* U A1199 210.634 116.940 15.605 0.00 0.00 C ATOM 25654 O2* U A1199 211.810 117.704 15.791 0.00 0.00 O ATOM 25655 C1* U A1199 210.139 117.574 14.318 0.00 0.00 C ATOM 25656 N1 U A1199 208.669 117.496 14.148 0.00 0.00 N ATOM 25657 C2 U A1199 207.916 118.657 14.348 0.00 0.00 C ATOM 25658 O2 U A1199 208.333 119.645 14.957 0.00 0.00 O ATOM 25659 N3 U A1199 206.642 118.660 13.814 0.00 0.00 N ATOM 25660 C4 U A1199 206.085 117.663 13.046 0.00 0.00 C ATOM 25661 O4 U A1199 204.979 117.826 12.556 0.00 0.00 O ATOM 25662 C5 U A1199 206.914 116.482 12.926 0.00 0.00 C ATOM 25663 C6 U A1199 208.107 116.396 13.551 0.00 0.00 C ATOM 25664 P C A1200 211.448 113.444 16.746 0.00 0.00 P ATOM 25665 O1P C A1200 212.740 112.926 17.247 0.00 0.00 O ATOM 25666 O2P C A1200 210.610 112.616 15.849 0.00 0.00 O ATOM 25667 O5* C A1200 210.548 113.926 17.995 0.00 0.00 O ATOM 25668 C5* C A1200 210.189 113.057 19.059 0.00 0.00 C ATOM 25669 C4* C A1200 209.228 113.794 20.003 0.00 0.00 C ATOM 25670 O4* C A1200 207.966 113.966 19.362 0.00 0.00 O ATOM 25671 C3* C A1200 208.863 113.078 21.314 0.00 0.00 C ATOM 25672 O3* C A1200 209.718 113.194 22.437 0.00 0.00 O ATOM 25673 C2* C A1200 207.622 113.899 21.669 0.00 0.00 C ATOM 25674 O2* C A1200 208.003 115.194 22.121 0.00 0.00 O ATOM 25675 C1* C A1200 206.938 114.141 20.332 0.00 0.00 C ATOM 25676 N1 C A1200 205.760 113.263 20.076 0.00 0.00 N ATOM 25677 C2 C A1200 204.535 113.571 20.695 0.00 0.00 C ATOM 25678 O2 C A1200 204.472 114.395 21.613 0.00 0.00 O ATOM 25679 N3 C A1200 203.392 112.964 20.261 0.00 0.00 N ATOM 25680 C4 C A1200 203.470 112.073 19.277 0.00 0.00 C ATOM 25681 N4 C A1200 202.344 111.571 18.845 0.00 0.00 N ATOM 25682 C5 C A1200 204.695 111.677 18.671 0.00 0.00 C ATOM 25683 C6 C A1200 205.818 112.292 19.103 0.00 0.00 C ATOM 25684 P A A1201 211.190 112.628 22.520 0.00 0.00 P ATOM 25685 O1P A A1201 211.240 111.316 21.832 0.00 0.00 O ATOM 25686 O2P A A1201 211.572 112.745 23.940 0.00 0.00 O ATOM 25687 O5* A A1201 212.038 113.688 21.674 0.00 0.00 O ATOM 25688 C5* A A1201 212.197 115.037 22.089 0.00 0.00 C ATOM 25689 C4* A A1201 213.211 115.776 21.202 0.00 0.00 C ATOM 25690 O4* A A1201 214.504 115.292 21.570 0.00 0.00 O ATOM 25691 C3* A A1201 212.996 115.537 19.689 0.00 0.00 C ATOM 25692 O3* A A1201 212.954 116.663 18.804 0.00 0.00 O ATOM 25693 C2* A A1201 214.055 114.467 19.414 0.00 0.00 C ATOM 25694 O2* A A1201 214.701 114.477 18.167 0.00 0.00 O ATOM 25695 C1* A A1201 215.114 114.635 20.474 0.00 0.00 C ATOM 25696 N9 A A1201 215.636 113.293 20.823 0.00 0.00 N ATOM 25697 C8 A A1201 214.945 112.235 21.367 0.00 0.00 C ATOM 25698 N7 A A1201 215.612 111.116 21.407 0.00 0.00 N ATOM 25699 C5 A A1201 216.847 111.463 20.859 0.00 0.00 C ATOM 25700 C6 A A1201 218.044 110.755 20.619 0.00 0.00 C ATOM 25701 N6 A A1201 218.237 109.495 20.949 0.00 0.00 N ATOM 25702 N1 A A1201 219.080 111.343 20.014 0.00 0.00 N ATOM 25703 C2 A A1201 218.946 112.617 19.669 0.00 0.00 C ATOM 25704 N3 A A1201 217.903 113.420 19.866 0.00 0.00 N ATOM 25705 C4 A A1201 216.865 112.777 20.473 0.00 0.00 C ATOM 25706 P U A1202 214.080 117.797 18.618 0.00 0.00 P ATOM 25707 O1P U A1202 213.546 118.791 17.664 0.00 0.00 O ATOM 25708 O2P U A1202 215.425 117.228 18.396 0.00 0.00 O ATOM 25709 O5* U A1202 214.064 118.502 20.026 0.00 0.00 O ATOM 25710 C5* U A1202 215.174 118.474 20.888 0.00 0.00 C ATOM 25711 C4* U A1202 214.924 119.597 21.861 0.00 0.00 C ATOM 25712 O4* U A1202 214.889 120.830 21.146 0.00 0.00 O ATOM 25713 C3* U A1202 213.565 119.668 22.545 0.00 0.00 C ATOM 25714 O3* U A1202 213.112 118.532 23.259 0.00 0.00 O ATOM 25715 C2* U A1202 213.755 121.069 23.168 0.00 0.00 C ATOM 25716 O2* U A1202 214.884 121.195 24.029 0.00 0.00 O ATOM 25717 C1* U A1202 214.158 121.801 21.897 0.00 0.00 C ATOM 25718 N1 U A1202 212.992 122.313 21.124 0.00 0.00 N ATOM 25719 C2 U A1202 212.417 123.524 21.524 0.00 0.00 C ATOM 25720 O2 U A1202 212.878 124.210 22.436 0.00 0.00 O ATOM 25721 N3 U A1202 211.297 123.948 20.820 0.00 0.00 N ATOM 25722 C4 U A1202 210.732 123.286 19.742 0.00 0.00 C ATOM 25723 O4 U A1202 209.741 123.730 19.174 0.00 0.00 O ATOM 25724 C5 U A1202 211.417 122.072 19.360 0.00 0.00 C ATOM 25725 C6 U A1202 212.505 121.631 20.031 0.00 0.00 C ATOM 25726 P C A1203 213.135 118.372 24.837 0.00 0.00 P ATOM 25727 O1P C A1203 214.522 118.651 25.240 0.00 0.00 O ATOM 25728 O2P C A1203 212.535 117.049 25.141 0.00 0.00 O ATOM 25729 O5* C A1203 212.119 119.547 25.318 0.00 0.00 O ATOM 25730 C5* C A1203 212.441 120.559 26.264 0.00 0.00 C ATOM 25731 C4* C A1203 211.475 121.769 26.209 0.00 0.00 C ATOM 25732 O4* C A1203 211.517 122.551 25.004 0.00 0.00 O ATOM 25733 C3* C A1203 210.015 121.385 26.376 0.00 0.00 C ATOM 25734 O3* C A1203 209.693 121.037 27.711 0.00 0.00 O ATOM 25735 C2* C A1203 209.334 122.650 25.813 0.00 0.00 C ATOM 25736 O2* C A1203 209.465 123.836 26.597 0.00 0.00 O ATOM 25737 C1* C A1203 210.184 122.869 24.565 0.00 0.00 C ATOM 25738 N1 C A1203 209.694 122.055 23.394 0.00 0.00 N ATOM 25739 C2 C A1203 208.558 122.473 22.668 0.00 0.00 C ATOM 25740 O2 C A1203 207.876 123.434 23.030 0.00 0.00 O ATOM 25741 N3 C A1203 208.175 121.806 21.541 0.00 0.00 N ATOM 25742 C4 C A1203 208.873 120.744 21.149 0.00 0.00 C ATOM 25743 N4 C A1203 208.497 120.116 20.060 0.00 0.00 N ATOM 25744 C5 C A1203 209.992 120.252 21.874 0.00 0.00 C ATOM 25745 C6 C A1203 210.350 120.914 22.997 0.00 0.00 C ATOM 25746 P A A1204 208.513 119.986 28.011 0.00 0.00 P ATOM 25747 O1P A A1204 208.359 119.792 29.470 0.00 0.00 O ATOM 25748 O2P A A1204 208.649 118.825 27.110 0.00 0.00 O ATOM 25749 O5* A A1204 207.297 120.845 27.507 0.00 0.00 O ATOM 25750 C5* A A1204 206.860 121.986 28.200 0.00 0.00 C ATOM 25751 C4* A A1204 205.565 122.380 27.517 0.00 0.00 C ATOM 25752 O4* A A1204 205.786 122.686 26.137 0.00 0.00 O ATOM 25753 C3* A A1204 204.542 121.239 27.598 0.00 0.00 C ATOM 25754 O3* A A1204 203.882 121.210 28.863 0.00 0.00 O ATOM 25755 C2* A A1204 203.684 121.664 26.405 0.00 0.00 C ATOM 25756 O2* A A1204 202.960 122.852 26.724 0.00 0.00 O ATOM 25757 C1* A A1204 204.761 122.056 25.378 0.00 0.00 C ATOM 25758 N9 A A1204 205.323 120.926 24.577 0.00 0.00 N ATOM 25759 C8 A A1204 206.598 120.399 24.551 0.00 0.00 C ATOM 25760 N7 A A1204 206.814 119.534 23.597 0.00 0.00 N ATOM 25761 C5 A A1204 205.581 119.453 22.955 0.00 0.00 C ATOM 25762 C6 A A1204 205.078 118.698 21.870 0.00 0.00 C ATOM 25763 N6 A A1204 205.757 117.803 21.174 0.00 0.00 N ATOM 25764 N1 A A1204 203.802 118.835 21.493 0.00 0.00 N ATOM 25765 C2 A A1204 203.034 119.684 22.165 0.00 0.00 C ATOM 25766 N3 A A1204 203.366 120.448 23.197 0.00 0.00 N ATOM 25767 C4 A A1204 204.668 120.284 23.553 0.00 0.00 C ATOM 25768 P U A1205 203.554 119.838 29.658 0.00 0.00 P ATOM 25769 O1P U A1205 202.908 120.168 30.948 0.00 0.00 O ATOM 25770 O2P U A1205 204.714 118.926 29.629 0.00 0.00 O ATOM 25771 O5* U A1205 202.453 119.146 28.740 0.00 0.00 O ATOM 25772 C5* U A1205 201.174 119.715 28.572 0.00 0.00 C ATOM 25773 C4* U A1205 200.484 118.993 27.419 0.00 0.00 C ATOM 25774 O4* U A1205 201.205 119.214 26.213 0.00 0.00 O ATOM 25775 C3* U A1205 200.434 117.483 27.595 0.00 0.00 C ATOM 25776 O3* U A1205 199.436 117.096 28.531 0.00 0.00 O ATOM 25777 C2* U A1205 200.246 117.041 26.141 0.00 0.00 C ATOM 25778 O2* U A1205 198.913 117.202 25.674 0.00 0.00 O ATOM 25779 C1* U A1205 201.139 118.050 25.401 0.00 0.00 C ATOM 25780 N1 U A1205 202.500 117.510 25.094 0.00 0.00 N ATOM 25781 C2 U A1205 202.628 116.708 23.956 0.00 0.00 C ATOM 25782 O2 U A1205 201.678 116.450 23.220 0.00 0.00 O ATOM 25783 N3 U A1205 203.888 116.211 23.676 0.00 0.00 N ATOM 25784 C4 U A1205 205.048 116.486 24.365 0.00 0.00 C ATOM 25785 O4 U A1205 206.122 116.028 23.970 0.00 0.00 O ATOM 25786 C5 U A1205 204.844 117.344 25.516 0.00 0.00 C ATOM 25787 C6 U A1205 203.614 117.820 25.850 0.00 0.00 C ATOM 25788 P G A1206 199.300 115.586 29.034 0.00 0.00 P ATOM 25789 O1P G A1206 198.581 115.555 30.326 0.00 0.00 O ATOM 25790 O2P G A1206 200.653 114.987 28.987 0.00 0.00 O ATOM 25791 O5* G A1206 198.351 114.846 27.972 0.00 0.00 O ATOM 25792 C5* G A1206 196.981 115.219 27.837 0.00 0.00 C ATOM 25793 C4* G A1206 196.212 114.320 26.860 0.00 0.00 C ATOM 25794 O4* G A1206 196.642 114.517 25.522 0.00 0.00 O ATOM 25795 C3* G A1206 196.379 112.838 27.172 0.00 0.00 C ATOM 25796 O3* G A1206 195.522 112.432 28.232 0.00 0.00 O ATOM 25797 C2* G A1206 196.111 112.215 25.793 0.00 0.00 C ATOM 25798 O2* G A1206 194.740 112.063 25.457 0.00 0.00 O ATOM 25799 C1* G A1206 196.690 113.267 24.846 0.00 0.00 C ATOM 25800 N9 G A1206 198.097 112.968 24.498 0.00 0.00 N ATOM 25801 C8 G A1206 199.223 113.588 24.972 0.00 0.00 C ATOM 25802 N7 G A1206 200.336 113.138 24.469 0.00 0.00 N ATOM 25803 C5 G A1206 199.924 112.121 23.602 0.00 0.00 C ATOM 25804 C6 G A1206 200.675 111.233 22.757 0.00 0.00 C ATOM 25805 O6 G A1206 201.884 111.164 22.571 0.00 0.00 O ATOM 25806 N1 G A1206 199.894 110.320 22.074 0.00 0.00 N ATOM 25807 C2 G A1206 198.530 110.290 22.149 0.00 0.00 C ATOM 25808 N2 G A1206 197.900 109.380 21.435 0.00 0.00 N ATOM 25809 N3 G A1206 197.794 111.115 22.901 0.00 0.00 N ATOM 25810 C4 G A1206 198.549 112.008 23.616 0.00 0.00 C ATOM 25811 P G A1207 195.921 111.250 29.220 0.00 0.00 P ATOM 25812 O1P G A1207 194.778 110.912 30.098 0.00 0.00 O ATOM 25813 O2P G A1207 197.189 111.595 29.895 0.00 0.00 O ATOM 25814 O5* G A1207 196.178 109.981 28.293 0.00 0.00 O ATOM 25815 C5* G A1207 195.086 109.344 27.653 0.00 0.00 C ATOM 25816 C4* G A1207 195.565 108.339 26.608 0.00 0.00 C ATOM 25817 O4* G A1207 196.223 109.001 25.541 0.00 0.00 O ATOM 25818 C3* G A1207 196.531 107.292 27.160 0.00 0.00 C ATOM 25819 O3* G A1207 195.834 106.291 27.893 0.00 0.00 O ATOM 25820 C2* G A1207 197.172 106.850 25.836 0.00 0.00 C ATOM 25821 O2* G A1207 196.340 106.007 25.054 0.00 0.00 O ATOM 25822 C1* G A1207 197.296 108.189 25.100 0.00 0.00 C ATOM 25823 N9 G A1207 198.615 108.811 25.366 0.00 0.00 N ATOM 25824 C8 G A1207 198.988 109.818 26.221 0.00 0.00 C ATOM 25825 N7 G A1207 200.272 110.069 26.217 0.00 0.00 N ATOM 25826 C5 G A1207 200.798 109.171 25.280 0.00 0.00 C ATOM 25827 C6 G A1207 202.142 108.914 24.816 0.00 0.00 C ATOM 25828 O6 G A1207 203.206 109.469 25.095 0.00 0.00 O ATOM 25829 N1 G A1207 202.214 107.825 23.962 0.00 0.00 N ATOM 25830 C2 G A1207 201.129 107.096 23.563 0.00 0.00 C ATOM 25831 N2 G A1207 201.313 106.001 22.869 0.00 0.00 N ATOM 25832 N3 G A1207 199.875 107.344 23.915 0.00 0.00 N ATOM 25833 C4 G A1207 199.778 108.388 24.784 0.00 0.00 C ATOM 25834 P C A1208 196.553 105.305 28.936 0.00 0.00 P ATOM 25835 O1P C A1208 195.507 104.396 29.455 0.00 0.00 O ATOM 25836 O2P C A1208 197.335 106.107 29.915 0.00 0.00 O ATOM 25837 O5* C A1208 197.614 104.456 28.071 0.00 0.00 O ATOM 25838 C5* C A1208 197.238 103.478 27.110 0.00 0.00 C ATOM 25839 C4* C A1208 198.485 102.865 26.440 0.00 0.00 C ATOM 25840 O4* C A1208 199.207 103.799 25.638 0.00 0.00 O ATOM 25841 C3* C A1208 199.476 102.300 27.456 0.00 0.00 C ATOM 25842 O3* C A1208 199.077 101.020 27.928 0.00 0.00 O ATOM 25843 C2* C A1208 200.763 102.307 26.621 0.00 0.00 C ATOM 25844 O2* C A1208 200.852 101.224 25.704 0.00 0.00 O ATOM 25845 C1* C A1208 200.612 103.599 25.811 0.00 0.00 C ATOM 25846 N1 C A1208 201.267 104.769 26.476 0.00 0.00 N ATOM 25847 C2 C A1208 202.656 104.948 26.343 0.00 0.00 C ATOM 25848 O2 C A1208 203.362 104.108 25.777 0.00 0.00 O ATOM 25849 N3 C A1208 203.246 106.067 26.847 0.00 0.00 N ATOM 25850 C4 C A1208 202.490 106.998 27.422 0.00 0.00 C ATOM 25851 N4 C A1208 203.079 108.092 27.838 0.00 0.00 N ATOM 25852 C5 C A1208 201.083 106.853 27.597 0.00 0.00 C ATOM 25853 C6 C A1208 200.517 105.717 27.130 0.00 0.00 C ATOM 25854 P C A1209 199.623 100.425 29.303 0.00 0.00 P ATOM 25855 O1P C A1209 199.031 99.082 29.440 0.00 0.00 O ATOM 25856 O2P C A1209 199.285 101.370 30.384 0.00 0.00 O ATOM 25857 O5* C A1209 201.212 100.297 29.262 0.00 0.00 O ATOM 25858 C5* C A1209 201.860 99.374 28.407 0.00 0.00 C ATOM 25859 C4* C A1209 203.364 99.670 28.319 0.00 0.00 C ATOM 25860 O4* C A1209 203.634 100.933 27.720 0.00 0.00 O ATOM 25861 C3* C A1209 204.073 99.667 29.675 0.00 0.00 C ATOM 25862 O3* C A1209 204.300 98.342 30.143 0.00 0.00 O ATOM 25863 C2* C A1209 205.338 100.442 29.293 0.00 0.00 C ATOM 25864 O2* C A1209 206.258 99.630 28.566 0.00 0.00 O ATOM 25865 C1* C A1209 204.763 101.525 28.364 0.00 0.00 C ATOM 25866 N1 C A1209 204.384 102.781 29.091 0.00 0.00 N ATOM 25867 C2 C A1209 205.386 103.719 29.395 0.00 0.00 C ATOM 25868 O2 C A1209 206.575 103.470 29.187 0.00 0.00 O ATOM 25869 N3 C A1209 205.054 104.918 29.947 0.00 0.00 N ATOM 25870 C4 C A1209 203.774 105.202 30.161 0.00 0.00 C ATOM 25871 N4 C A1209 203.485 106.383 30.659 0.00 0.00 N ATOM 25872 C5 C A1209 202.720 104.271 29.911 0.00 0.00 C ATOM 25873 C6 C A1209 203.072 103.069 29.395 0.00 0.00 C ATOM 25874 P C A1210 204.510 98.008 31.701 0.00 0.00 P ATOM 25875 O1P C A1210 204.548 96.519 31.748 0.00 0.00 O ATOM 25876 O2P C A1210 203.432 98.655 32.467 0.00 0.00 O ATOM 25877 O5* C A1210 205.942 98.623 32.149 0.00 0.00 O ATOM 25878 C5* C A1210 207.187 98.221 31.570 0.00 0.00 C ATOM 25879 C4* C A1210 208.394 99.073 32.033 0.00 0.00 C ATOM 25880 O4* C A1210 208.408 100.384 31.491 0.00 0.00 O ATOM 25881 C3* C A1210 208.460 99.250 33.539 0.00 0.00 C ATOM 25882 O3* C A1210 208.884 98.032 34.122 0.00 0.00 O ATOM 25883 C2* C A1210 209.393 100.457 33.678 0.00 0.00 C ATOM 25884 O2* C A1210 210.775 100.167 33.543 0.00 0.00 O ATOM 25885 C1* C A1210 208.950 101.285 32.461 0.00 0.00 C ATOM 25886 N1 C A1210 207.941 102.315 32.842 0.00 0.00 N ATOM 25887 C2 C A1210 208.378 103.511 33.433 0.00 0.00 C ATOM 25888 O2 C A1210 209.559 103.678 33.759 0.00 0.00 O ATOM 25889 N3 C A1210 207.487 104.510 33.664 0.00 0.00 N ATOM 25890 C4 C A1210 206.212 104.339 33.323 0.00 0.00 C ATOM 25891 N4 C A1210 205.393 105.337 33.549 0.00 0.00 N ATOM 25892 C5 C A1210 205.709 103.121 32.777 0.00 0.00 C ATOM 25893 C6 C A1210 206.606 102.130 32.568 0.00 0.00 C ATOM 25894 P U A1211 208.411 97.563 35.566 0.00 0.00 P ATOM 25895 O1P U A1211 207.946 96.171 35.404 0.00 0.00 O ATOM 25896 O2P U A1211 207.344 98.497 35.999 0.00 0.00 O ATOM 25897 O5* U A1211 209.673 97.635 36.539 0.00 0.00 O ATOM 25898 C5* U A1211 209.554 98.101 37.862 0.00 0.00 C ATOM 25899 C4* U A1211 210.186 99.489 38.046 0.00 0.00 C ATOM 25900 O4* U A1211 209.552 100.433 37.195 0.00 0.00 O ATOM 25901 C3* U A1211 209.927 100.051 39.446 0.00 0.00 C ATOM 25902 O3* U A1211 210.778 99.561 40.486 0.00 0.00 O ATOM 25903 C2* U A1211 210.049 101.563 39.210 0.00 0.00 C ATOM 25904 O2* U A1211 211.359 102.034 39.464 0.00 0.00 O ATOM 25905 C1* U A1211 209.725 101.745 37.712 0.00 0.00 C ATOM 25906 N1 U A1211 208.537 102.621 37.434 0.00 0.00 N ATOM 25907 C2 U A1211 208.584 103.973 37.818 0.00 0.00 C ATOM 25908 O2 U A1211 209.555 104.481 38.375 0.00 0.00 O ATOM 25909 N3 U A1211 207.456 104.745 37.575 0.00 0.00 N ATOM 25910 C4 U A1211 206.289 104.294 36.988 0.00 0.00 C ATOM 25911 O4 U A1211 205.310 105.027 36.925 0.00 0.00 O ATOM 25912 C5 U A1211 206.337 102.916 36.547 0.00 0.00 C ATOM 25913 C6 U A1211 207.425 102.134 36.775 0.00 0.00 C ATOM 25914 P U A1212 210.496 98.174 41.248 0.00 0.00 P ATOM 25915 O1P U A1212 209.039 97.918 41.145 0.00 0.00 O ATOM 25916 O2P U A1212 211.082 98.235 42.606 0.00 0.00 O ATOM 25917 O5* U A1212 211.225 97.025 40.383 0.00 0.00 O ATOM 25918 C5* U A1212 212.436 96.366 40.725 0.00 0.00 C ATOM 25919 C4* U A1212 213.706 97.190 40.505 0.00 0.00 C ATOM 25920 O4* U A1212 213.999 97.912 41.696 0.00 0.00 O ATOM 25921 C3* U A1212 214.922 96.297 40.210 0.00 0.00 C ATOM 25922 O3* U A1212 215.014 95.929 38.829 0.00 0.00 O ATOM 25923 C2* U A1212 216.022 97.228 40.704 0.00 0.00 C ATOM 25924 O2* U A1212 216.297 98.136 39.688 0.00 0.00 O ATOM 25925 C1* U A1212 215.399 98.077 41.819 0.00 0.00 C ATOM 25926 N1 U A1212 215.808 97.772 43.219 0.00 0.00 N ATOM 25927 C2 U A1212 215.790 98.823 44.155 0.00 0.00 C ATOM 25928 O2 U A1212 215.527 99.992 43.876 0.00 0.00 O ATOM 25929 N3 U A1212 216.088 98.503 45.468 0.00 0.00 N ATOM 25930 C4 U A1212 216.395 97.241 45.930 0.00 0.00 C ATOM 25931 O4 U A1212 216.588 97.071 47.125 0.00 0.00 O ATOM 25932 C5 U A1212 216.432 96.216 44.909 0.00 0.00 C ATOM 25933 C6 U A1212 216.148 96.494 43.611 0.00 0.00 C ATOM 25934 P A A1213 216.347 95.270 38.167 0.00 0.00 P ATOM 25935 O1P A A1213 215.894 94.305 37.147 0.00 0.00 O ATOM 25936 O2P A A1213 217.213 94.792 39.271 0.00 0.00 O ATOM 25937 O5* A A1213 217.178 96.428 37.386 0.00 0.00 O ATOM 25938 C5* A A1213 216.824 96.941 36.097 0.00 0.00 C ATOM 25939 C4* A A1213 215.510 97.729 36.101 0.00 0.00 C ATOM 25940 O4* A A1213 215.577 98.704 37.107 0.00 0.00 O ATOM 25941 C3* A A1213 215.254 98.598 34.867 0.00 0.00 C ATOM 25942 O3* A A1213 214.806 97.835 33.746 0.00 0.00 O ATOM 25943 C2* A A1213 214.228 99.610 35.441 0.00 0.00 C ATOM 25944 O2* A A1213 212.895 99.134 35.331 0.00 0.00 O ATOM 25945 C1* A A1213 214.509 99.599 36.950 0.00 0.00 C ATOM 25946 N9 A A1213 214.876 100.857 37.647 0.00 0.00 N ATOM 25947 C8 A A1213 215.860 101.013 38.595 0.00 0.00 C ATOM 25948 N7 A A1213 215.806 102.124 39.279 0.00 0.00 N ATOM 25949 C5 A A1213 214.735 102.792 38.680 0.00 0.00 C ATOM 25950 C6 A A1213 214.156 104.068 38.866 0.00 0.00 C ATOM 25951 N6 A A1213 214.579 104.988 39.721 0.00 0.00 N ATOM 25952 N1 A A1213 213.130 104.449 38.100 0.00 0.00 N ATOM 25953 C2 A A1213 212.699 103.624 37.152 0.00 0.00 C ATOM 25954 N3 A A1213 213.146 102.409 36.854 0.00 0.00 N ATOM 25955 C4 A A1213 214.179 102.043 37.668 0.00 0.00 C ATOM 25956 P C A1214 215.572 97.848 32.325 0.00 0.00 P ATOM 25957 O1P C A1214 215.025 96.793 31.442 0.00 0.00 O ATOM 25958 O2P C A1214 217.029 97.902 32.559 0.00 0.00 O ATOM 25959 O5* C A1214 215.119 99.238 31.670 0.00 0.00 O ATOM 25960 C5* C A1214 216.033 100.077 30.987 0.00 0.00 C ATOM 25961 C4* C A1214 215.284 101.211 30.271 0.00 0.00 C ATOM 25962 O4* C A1214 214.429 100.711 29.254 0.00 0.00 O ATOM 25963 C3* C A1214 214.415 102.000 31.261 0.00 0.00 C ATOM 25964 O3* C A1214 215.052 103.051 31.978 0.00 0.00 O ATOM 25965 C2* C A1214 213.167 102.390 30.456 0.00 0.00 C ATOM 25966 O2* C A1214 213.181 103.716 29.941 0.00 0.00 O ATOM 25967 C1* C A1214 213.177 101.390 29.287 0.00 0.00 C ATOM 25968 N1 C A1214 212.060 100.394 29.340 0.00 0.00 N ATOM 25969 C2 C A1214 210.809 100.752 28.814 0.00 0.00 C ATOM 25970 O2 C A1214 210.581 101.924 28.504 0.00 0.00 O ATOM 25971 N3 C A1214 209.842 99.795 28.648 0.00 0.00 N ATOM 25972 C4 C A1214 210.093 98.555 29.046 0.00 0.00 C ATOM 25973 N4 C A1214 209.119 97.675 28.940 0.00 0.00 N ATOM 25974 C5 C A1214 211.324 98.157 29.636 0.00 0.00 C ATOM 25975 C6 C A1214 212.278 99.107 29.773 0.00 0.00 C ATOM 25976 P G A1215 216.410 103.796 31.506 0.00 0.00 P ATOM 25977 O1P G A1215 216.308 104.285 30.116 0.00 0.00 O ATOM 25978 O2P G A1215 217.565 102.962 31.884 0.00 0.00 O ATOM 25979 O5* G A1215 216.377 105.063 32.464 0.00 0.00 O ATOM 25980 C5* G A1215 215.302 105.984 32.413 0.00 0.00 C ATOM 25981 C4* G A1215 215.036 106.530 33.817 0.00 0.00 C ATOM 25982 O4* G A1215 214.584 105.531 34.730 0.00 0.00 O ATOM 25983 C3* G A1215 216.304 107.119 34.411 0.00 0.00 C ATOM 25984 O3* G A1215 216.511 108.435 33.965 0.00 0.00 O ATOM 25985 C2* G A1215 216.033 107.014 35.900 0.00 0.00 C ATOM 25986 O2* G A1215 215.158 108.026 36.392 0.00 0.00 O ATOM 25987 C1* G A1215 215.331 105.649 35.943 0.00 0.00 C ATOM 25988 N9 G A1215 216.288 104.507 36.100 0.00 0.00 N ATOM 25989 C8 G A1215 216.406 103.358 35.353 0.00 0.00 C ATOM 25990 N7 G A1215 217.239 102.477 35.843 0.00 0.00 N ATOM 25991 C5 G A1215 217.747 103.083 36.994 0.00 0.00 C ATOM 25992 C6 G A1215 218.680 102.622 37.998 0.00 0.00 C ATOM 25993 O6 G A1215 219.291 101.555 38.090 0.00 0.00 O ATOM 25994 N1 G A1215 218.877 103.540 39.017 0.00 0.00 N ATOM 25995 C2 G A1215 218.242 104.748 39.078 0.00 0.00 C ATOM 25996 N2 G A1215 218.518 105.550 40.080 0.00 0.00 N ATOM 25997 N3 G A1215 217.378 105.201 38.173 0.00 0.00 N ATOM 25998 C4 G A1215 217.166 104.326 37.149 0.00 0.00 C ATOM 25999 P A A1216 217.922 108.861 33.376 0.00 0.00 P ATOM 26000 O1P A A1216 217.750 110.225 32.833 0.00 0.00 O ATOM 26001 O2P A A1216 218.382 107.782 32.468 0.00 0.00 O ATOM 26002 O5* A A1216 218.852 108.804 34.721 0.00 0.00 O ATOM 26003 C5* A A1216 218.610 109.586 35.890 0.00 0.00 C ATOM 26004 C4* A A1216 219.460 109.215 37.099 0.00 0.00 C ATOM 26005 O4* A A1216 219.183 107.934 37.637 0.00 0.00 O ATOM 26006 C3* A A1216 220.943 109.245 36.771 0.00 0.00 C ATOM 26007 O3* A A1216 221.420 110.569 36.616 0.00 0.00 O ATOM 26008 C2* A A1216 221.479 108.501 37.992 0.00 0.00 C ATOM 26009 O2* A A1216 221.486 109.299 39.166 0.00 0.00 O ATOM 26010 C1* A A1216 220.402 107.431 38.172 0.00 0.00 C ATOM 26011 N9 A A1216 220.753 106.185 37.461 0.00 0.00 N ATOM 26012 C8 A A1216 220.206 105.665 36.314 0.00 0.00 C ATOM 26013 N7 A A1216 220.643 104.475 36.005 0.00 0.00 N ATOM 26014 C5 A A1216 221.552 104.192 37.027 0.00 0.00 C ATOM 26015 C6 A A1216 222.365 103.082 37.350 0.00 0.00 C ATOM 26016 N6 A A1216 222.383 101.940 36.682 0.00 0.00 N ATOM 26017 N1 A A1216 223.191 103.135 38.400 0.00 0.00 N ATOM 26018 C2 A A1216 223.196 104.237 39.142 0.00 0.00 C ATOM 26019 N3 A A1216 222.464 105.335 38.987 0.00 0.00 N ATOM 26020 C4 A A1216 221.652 105.245 37.897 0.00 0.00 C ATOM 26021 P C A1217 222.774 110.865 35.816 0.00 0.00 P ATOM 26022 O1P C A1217 222.864 112.320 35.605 0.00 0.00 O ATOM 26023 O2P C A1217 222.819 109.942 34.664 0.00 0.00 O ATOM 26024 O5* C A1217 223.910 110.385 36.842 0.00 0.00 O ATOM 26025 C5* C A1217 224.204 111.042 38.058 0.00 0.00 C ATOM 26026 C4* C A1217 225.298 110.251 38.798 0.00 0.00 C ATOM 26027 O4* C A1217 224.876 108.931 39.159 0.00 0.00 O ATOM 26028 C3* C A1217 226.552 110.057 37.952 0.00 0.00 C ATOM 26029 O3* C A1217 227.371 111.209 37.868 0.00 0.00 O ATOM 26030 C2* C A1217 227.199 108.877 38.680 0.00 0.00 C ATOM 26031 O2* C A1217 227.806 109.216 39.920 0.00 0.00 O ATOM 26032 C1* C A1217 225.978 108.024 39.010 0.00 0.00 C ATOM 26033 N1 C A1217 225.736 106.994 37.954 0.00 0.00 N ATOM 26034 C2 C A1217 226.448 105.783 37.995 0.00 0.00 C ATOM 26035 O2 C A1217 227.390 105.603 38.775 0.00 0.00 O ATOM 26036 N3 C A1217 226.112 104.779 37.141 0.00 0.00 N ATOM 26037 C4 C A1217 225.133 104.967 36.261 0.00 0.00 C ATOM 26038 N4 C A1217 224.811 103.958 35.487 0.00 0.00 N ATOM 26039 C5 C A1217 224.452 106.206 36.118 0.00 0.00 C ATOM 26040 C6 C A1217 224.799 107.199 36.968 0.00 0.00 C ATOM 26041 P C A1218 228.398 111.385 36.647 0.00 0.00 P ATOM 26042 O1P C A1218 229.135 112.652 36.838 0.00 0.00 O ATOM 26043 O2P C A1218 227.667 111.124 35.391 0.00 0.00 O ATOM 26044 O5* C A1218 229.413 110.163 36.872 0.00 0.00 O ATOM 26045 C5* C A1218 230.349 110.167 37.931 0.00 0.00 C ATOM 26046 C4* C A1218 231.139 108.853 37.932 0.00 0.00 C ATOM 26047 O4* C A1218 230.287 107.706 37.986 0.00 0.00 O ATOM 26048 C3* C A1218 232.003 108.712 36.682 0.00 0.00 C ATOM 26049 O3* C A1218 233.169 109.545 36.757 0.00 0.00 O ATOM 26050 C2* C A1218 232.214 107.187 36.711 0.00 0.00 C ATOM 26051 O2* C A1218 233.186 106.762 37.654 0.00 0.00 O ATOM 26052 C1* C A1218 230.888 106.640 37.251 0.00 0.00 C ATOM 26053 N1 C A1218 229.991 106.083 36.187 0.00 0.00 N ATOM 26054 C2 C A1218 230.175 104.756 35.753 0.00 0.00 C ATOM 26055 O2 C A1218 231.134 104.075 36.126 0.00 0.00 O ATOM 26056 N3 C A1218 229.277 104.182 34.904 0.00 0.00 N ATOM 26057 C4 C A1218 228.242 104.897 34.474 0.00 0.00 C ATOM 26058 N4 C A1218 227.401 104.308 33.655 0.00 0.00 N ATOM 26059 C5 C A1218 228.035 106.256 34.850 0.00 0.00 C ATOM 26060 C6 C A1218 228.935 106.814 35.696 0.00 0.00 C ATOM 26061 P A A1219 233.963 110.038 35.434 0.00 0.00 P ATOM 26062 O1P A A1219 234.864 111.180 35.758 0.00 0.00 O ATOM 26063 O2P A A1219 232.983 110.211 34.351 0.00 0.00 O ATOM 26064 O5* A A1219 234.838 108.733 35.088 0.00 0.00 O ATOM 26065 C5* A A1219 235.905 108.279 35.900 0.00 0.00 C ATOM 26066 C4* A A1219 236.338 106.867 35.475 0.00 0.00 C ATOM 26067 O4* A A1219 235.298 105.915 35.714 0.00 0.00 O ATOM 26068 C3* A A1219 236.709 106.738 33.995 0.00 0.00 C ATOM 26069 O3* A A1219 238.003 107.214 33.659 0.00 0.00 O ATOM 26070 C2* A A1219 236.562 105.223 33.823 0.00 0.00 C ATOM 26071 O2* A A1219 237.627 104.481 34.407 0.00 0.00 O ATOM 26072 C1* A A1219 235.308 104.962 34.653 0.00 0.00 C ATOM 26073 N9 A A1219 234.089 105.102 33.827 0.00 0.00 N ATOM 26074 C8 A A1219 233.323 106.221 33.595 0.00 0.00 C ATOM 26075 N7 A A1219 232.165 105.971 33.058 0.00 0.00 N ATOM 26076 C5 A A1219 232.247 104.611 32.766 0.00 0.00 C ATOM 26077 C6 A A1219 231.404 103.718 32.082 0.00 0.00 C ATOM 26078 N6 A A1219 230.240 104.081 31.581 0.00 0.00 N ATOM 26079 N1 A A1219 231.787 102.450 31.868 0.00 0.00 N ATOM 26080 C2 A A1219 232.970 102.070 32.342 0.00 0.00 C ATOM 26081 N3 A A1219 233.867 102.794 33.012 0.00 0.00 N ATOM 26082 C4 A A1219 233.434 104.078 33.187 0.00 0.00 C ATOM 26083 P G A1220 238.305 107.774 32.181 0.00 0.00 P ATOM 26084 O1P G A1220 239.744 108.104 32.079 0.00 0.00 O ATOM 26085 O2P G A1220 237.287 108.794 31.869 0.00 0.00 O ATOM 26086 O5* G A1220 238.030 106.488 31.258 0.00 0.00 O ATOM 26087 C5* G A1220 239.001 105.466 31.167 0.00 0.00 C ATOM 26088 C4* G A1220 238.485 104.290 30.346 0.00 0.00 C ATOM 26089 O4* G A1220 237.353 103.683 30.977 0.00 0.00 O ATOM 26090 C3* G A1220 238.072 104.652 28.917 0.00 0.00 C ATOM 26091 O3* G A1220 239.184 104.901 28.045 0.00 0.00 O ATOM 26092 C2* G A1220 237.223 103.386 28.658 0.00 0.00 C ATOM 26093 O2* G A1220 237.928 102.147 28.550 0.00 0.00 O ATOM 26094 C1* G A1220 236.458 103.244 29.968 0.00 0.00 C ATOM 26095 N9 G A1220 235.176 103.983 29.905 0.00 0.00 N ATOM 26096 C8 G A1220 234.839 105.247 30.313 0.00 0.00 C ATOM 26097 N7 G A1220 233.607 105.578 30.029 0.00 0.00 N ATOM 26098 C5 G A1220 233.083 104.468 29.360 0.00 0.00 C ATOM 26099 C6 G A1220 231.794 104.196 28.761 0.00 0.00 C ATOM 26100 O6 G A1220 230.763 104.864 28.697 0.00 0.00 O ATOM 26101 N1 G A1220 231.735 102.959 28.155 0.00 0.00 N ATOM 26102 C2 G A1220 232.757 102.066 28.152 0.00 0.00 C ATOM 26103 N2 G A1220 232.550 100.944 27.523 0.00 0.00 N ATOM 26104 N3 G A1220 233.942 102.250 28.732 0.00 0.00 N ATOM 26105 C4 G A1220 234.048 103.484 29.304 0.00 0.00 C ATOM 26106 P G A1221 239.097 105.873 26.733 0.00 0.00 P ATOM 26107 O1P G A1221 240.437 105.919 26.074 0.00 0.00 O ATOM 26108 O2P G A1221 238.468 107.160 27.113 0.00 0.00 O ATOM 26109 O5* G A1221 238.085 104.967 25.840 0.00 0.00 O ATOM 26110 C5* G A1221 238.474 103.687 25.342 0.00 0.00 C ATOM 26111 C4* G A1221 237.320 102.857 24.768 0.00 0.00 C ATOM 26112 O4* G A1221 236.327 102.578 25.749 0.00 0.00 O ATOM 26113 C3* G A1221 236.575 103.477 23.598 0.00 0.00 C ATOM 26114 O3* G A1221 237.311 103.457 22.389 0.00 0.00 O ATOM 26115 C2* G A1221 235.317 102.588 23.627 0.00 0.00 C ATOM 26116 O2* G A1221 235.499 101.213 23.308 0.00 0.00 O ATOM 26117 C1* G A1221 235.046 102.577 25.123 0.00 0.00 C ATOM 26118 N9 G A1221 234.227 103.748 25.498 0.00 0.00 N ATOM 26119 C8 G A1221 234.578 104.895 26.159 0.00 0.00 C ATOM 26120 N7 G A1221 233.590 105.729 26.324 0.00 0.00 N ATOM 26121 C5 G A1221 232.503 105.114 25.696 0.00 0.00 C ATOM 26122 C6 G A1221 231.131 105.515 25.497 0.00 0.00 C ATOM 26123 O6 G A1221 230.518 106.518 25.855 0.00 0.00 O ATOM 26124 N1 G A1221 230.401 104.601 24.761 0.00 0.00 N ATOM 26125 C2 G A1221 230.892 103.418 24.305 0.00 0.00 C ATOM 26126 N2 G A1221 230.089 102.690 23.562 0.00 0.00 N ATOM 26127 N3 G A1221 232.140 102.998 24.496 0.00 0.00 N ATOM 26128 C4 G A1221 232.899 103.895 25.189 0.00 0.00 C ATOM 26129 P G A1222 237.059 104.558 21.252 0.00 0.00 P ATOM 26130 O1P G A1222 237.953 104.237 20.098 0.00 0.00 O ATOM 26131 O2P G A1222 237.133 105.878 21.925 0.00 0.00 O ATOM 26132 O5* G A1222 235.510 104.279 20.851 0.00 0.00 O ATOM 26133 C5* G A1222 235.057 103.061 20.271 0.00 0.00 C ATOM 26134 C4* G A1222 233.539 103.075 20.059 0.00 0.00 C ATOM 26135 O4* G A1222 232.804 103.259 21.257 0.00 0.00 O ATOM 26136 C3* G A1222 233.074 104.197 19.161 0.00 0.00 C ATOM 26137 O3* G A1222 233.366 103.924 17.825 0.00 0.00 O ATOM 26138 C2* G A1222 231.577 104.202 19.456 0.00 0.00 C ATOM 26139 O2* G A1222 230.854 103.111 18.898 0.00 0.00 O ATOM 26140 C1* G A1222 231.627 103.998 20.962 0.00 0.00 C ATOM 26141 N9 G A1222 231.694 105.304 21.638 0.00 0.00 N ATOM 26142 C8 G A1222 232.745 105.889 22.296 0.00 0.00 C ATOM 26143 N7 G A1222 232.453 107.040 22.826 0.00 0.00 N ATOM 26144 C5 G A1222 231.118 107.246 22.478 0.00 0.00 C ATOM 26145 C6 G A1222 230.211 108.320 22.758 0.00 0.00 C ATOM 26146 O6 G A1222 230.389 109.339 23.406 0.00 0.00 O ATOM 26147 N1 G A1222 228.970 108.160 22.173 0.00 0.00 N ATOM 26148 C2 G A1222 228.628 107.094 21.395 0.00 0.00 C ATOM 26149 N2 G A1222 227.465 107.113 20.784 0.00 0.00 N ATOM 26150 N3 G A1222 229.427 106.059 21.148 0.00 0.00 N ATOM 26151 C4 G A1222 230.659 106.196 21.718 0.00 0.00 C ATOM 26152 P C A1223 233.707 105.099 16.836 0.00 0.00 P ATOM 26153 O1P C A1223 233.859 104.438 15.537 0.00 0.00 O ATOM 26154 O2P C A1223 234.822 105.881 17.395 0.00 0.00 O ATOM 26155 O5* C A1223 232.385 106.027 16.825 0.00 0.00 O ATOM 26156 C5* C A1223 231.141 105.546 16.349 0.00 0.00 C ATOM 26157 C4* C A1223 230.023 106.584 16.505 0.00 0.00 C ATOM 26158 O4* C A1223 229.782 106.943 17.856 0.00 0.00 O ATOM 26159 C3* C A1223 230.279 107.894 15.764 0.00 0.00 C ATOM 26160 O3* C A1223 229.991 107.735 14.388 0.00 0.00 O ATOM 26161 C2* C A1223 229.351 108.872 16.491 0.00 0.00 C ATOM 26162 O2* C A1223 228.036 108.928 15.958 0.00 0.00 O ATOM 26163 C1* C A1223 229.285 108.277 17.901 0.00 0.00 C ATOM 26164 N1 C A1223 230.099 109.083 18.849 0.00 0.00 N ATOM 26165 C2 C A1223 229.476 110.087 19.601 0.00 0.00 C ATOM 26166 O2 C A1223 228.265 110.309 19.514 0.00 0.00 O ATOM 26167 N3 C A1223 230.215 110.822 20.470 0.00 0.00 N ATOM 26168 C4 C A1223 231.510 110.567 20.616 0.00 0.00 C ATOM 26169 N4 C A1223 232.143 111.257 21.524 0.00 0.00 N ATOM 26170 C5 C A1223 232.189 109.568 19.860 0.00 0.00 C ATOM 26171 C6 C A1223 231.447 108.848 18.987 0.00 0.00 C ATOM 26172 P U A1224 230.369 108.853 13.291 0.00 0.00 P ATOM 26173 O1P U A1224 229.949 110.163 13.819 0.00 0.00 O ATOM 26174 O2P U A1224 229.821 108.327 12.027 0.00 0.00 O ATOM 26175 O5* U A1224 231.964 108.871 13.221 0.00 0.00 O ATOM 26176 C5* U A1224 232.715 107.689 13.331 0.00 0.00 C ATOM 26177 C4* U A1224 234.209 107.995 13.215 0.00 0.00 C ATOM 26178 O4* U A1224 234.640 108.959 14.162 0.00 0.00 O ATOM 26179 C3* U A1224 234.967 106.727 13.599 0.00 0.00 C ATOM 26180 O3* U A1224 235.147 105.774 12.543 0.00 0.00 O ATOM 26181 C2* U A1224 236.188 107.223 14.390 0.00 0.00 C ATOM 26182 O2* U A1224 237.391 106.703 13.850 0.00 0.00 O ATOM 26183 C1* U A1224 236.021 108.755 14.404 0.00 0.00 C ATOM 26184 N1 U A1224 236.380 109.430 15.694 0.00 0.00 N ATOM 26185 C2 U A1224 237.193 110.573 15.660 0.00 0.00 C ATOM 26186 O2 U A1224 237.700 111.010 14.631 0.00 0.00 O ATOM 26187 N3 U A1224 237.427 111.227 16.859 0.00 0.00 N ATOM 26188 C4 U A1224 236.959 110.829 18.093 0.00 0.00 C ATOM 26189 O4 U A1224 237.229 111.493 19.088 0.00 0.00 O ATOM 26190 C5 U A1224 236.151 109.627 18.064 0.00 0.00 C ATOM 26191 C6 U A1224 235.875 108.984 16.899 0.00 0.00 C ATOM 26192 P A A1225 235.905 106.046 11.129 0.00 0.00 P ATOM 26193 O1P A A1225 236.346 107.455 11.056 0.00 0.00 O ATOM 26194 O2P A A1225 235.051 105.516 10.037 0.00 0.00 O ATOM 26195 O5* A A1225 237.236 105.132 11.231 0.00 0.00 O ATOM 26196 C5* A A1225 237.331 103.824 10.687 0.00 0.00 C ATOM 26197 C4* A A1225 236.900 102.694 11.632 0.00 0.00 C ATOM 26198 O4* A A1225 235.565 102.917 12.030 0.00 0.00 O ATOM 26199 C3* A A1225 236.900 101.286 11.030 0.00 0.00 C ATOM 26200 O3* A A1225 238.128 100.626 11.288 0.00 0.00 O ATOM 26201 C2* A A1225 235.735 100.585 11.774 0.00 0.00 C ATOM 26202 O2* A A1225 236.176 99.754 12.844 0.00 0.00 O ATOM 26203 C1* A A1225 234.963 101.724 12.457 0.00 0.00 C ATOM 26204 N9 A A1225 233.506 101.944 12.278 0.00 0.00 N ATOM 26205 C8 A A1225 232.748 102.822 13.018 0.00 0.00 C ATOM 26206 N7 A A1225 231.475 102.838 12.734 0.00 0.00 N ATOM 26207 C5 A A1225 231.396 101.924 11.684 0.00 0.00 C ATOM 26208 C6 A A1225 230.326 101.463 10.893 0.00 0.00 C ATOM 26209 N6 A A1225 229.063 101.823 11.080 0.00 0.00 N ATOM 26210 N1 A A1225 230.554 100.609 9.894 0.00 0.00 N ATOM 26211 C2 A A1225 231.799 100.190 9.689 0.00 0.00 C ATOM 26212 N3 A A1225 232.892 100.519 10.365 0.00 0.00 N ATOM 26213 C4 A A1225 232.627 101.401 11.368 0.00 0.00 C ATOM 26214 P C A1226 239.353 100.563 10.270 0.00 0.00 P ATOM 26215 O1P C A1226 240.413 99.794 10.943 0.00 0.00 O ATOM 26216 O2P C A1226 239.691 101.931 9.799 0.00 0.00 O ATOM 26217 O5* C A1226 238.821 99.698 9.041 0.00 0.00 O ATOM 26218 C5* C A1226 238.859 100.179 7.716 0.00 0.00 C ATOM 26219 C4* C A1226 237.893 99.357 6.874 0.00 0.00 C ATOM 26220 O4* C A1226 236.593 99.392 7.458 0.00 0.00 O ATOM 26221 C3* C A1226 237.700 99.990 5.497 0.00 0.00 C ATOM 26222 O3* C A1226 238.745 99.935 4.532 0.00 0.00 O ATOM 26223 C2* C A1226 236.320 99.471 5.103 0.00 0.00 C ATOM 26224 O2* C A1226 236.279 98.101 4.739 0.00 0.00 O ATOM 26225 C1* C A1226 235.603 99.536 6.450 0.00 0.00 C ATOM 26226 N1 C A1226 234.813 100.779 6.685 0.00 0.00 N ATOM 26227 C2 C A1226 233.450 100.756 6.371 0.00 0.00 C ATOM 26228 O2 C A1226 232.987 99.873 5.655 0.00 0.00 O ATOM 26229 N3 C A1226 232.610 101.708 6.858 0.00 0.00 N ATOM 26230 C4 C A1226 233.116 102.661 7.630 0.00 0.00 C ATOM 26231 N4 C A1226 232.274 103.485 8.199 0.00 0.00 N ATOM 26232 C5 C A1226 234.512 102.796 7.879 0.00 0.00 C ATOM 26233 C6 C A1226 235.332 101.838 7.389 0.00 0.00 C ATOM 26234 P A A1227 239.515 98.604 4.028 0.00 0.00 P ATOM 26235 O1P A A1227 239.718 97.690 5.167 0.00 0.00 O ATOM 26236 O2P A A1227 240.685 99.101 3.279 0.00 0.00 O ATOM 26237 O5* A A1227 238.524 97.919 2.977 0.00 0.00 O ATOM 26238 C5* A A1227 238.807 96.627 2.475 0.00 0.00 C ATOM 26239 C4* A A1227 237.908 96.264 1.293 0.00 0.00 C ATOM 26240 O4* A A1227 236.687 95.701 1.761 0.00 0.00 O ATOM 26241 C3* A A1227 237.469 97.423 0.386 0.00 0.00 C ATOM 26242 O3* A A1227 238.464 98.026 -0.437 0.00 0.00 O ATOM 26243 C2* A A1227 236.362 96.667 -0.372 0.00 0.00 C ATOM 26244 O2* A A1227 236.851 95.700 -1.291 0.00 0.00 O ATOM 26245 C1* A A1227 235.705 95.870 0.749 0.00 0.00 C ATOM 26246 N9 A A1227 234.516 96.545 1.316 0.00 0.00 N ATOM 26247 C8 A A1227 234.391 97.809 1.842 0.00 0.00 C ATOM 26248 N7 A A1227 233.210 98.076 2.331 0.00 0.00 N ATOM 26249 C5 A A1227 232.486 96.907 2.067 0.00 0.00 C ATOM 26250 C6 A A1227 231.159 96.476 2.304 0.00 0.00 C ATOM 26251 N6 A A1227 230.228 97.157 2.941 0.00 0.00 N ATOM 26252 N1 A A1227 230.743 95.276 1.903 0.00 0.00 N ATOM 26253 C2 A A1227 231.618 94.486 1.297 0.00 0.00 C ATOM 26254 N3 A A1227 232.897 94.733 1.029 0.00 0.00 N ATOM 26255 C4 A A1227 233.273 95.976 1.441 0.00 0.00 C ATOM 26256 P C A1228 238.185 99.439 -1.176 0.00 0.00 P ATOM 26257 O1P C A1228 239.277 99.738 -2.124 0.00 0.00 O ATOM 26258 O2P C A1228 237.831 100.496 -0.198 0.00 0.00 O ATOM 26259 O5* C A1228 236.904 99.078 -2.059 0.00 0.00 O ATOM 26260 C5* C A1228 236.023 100.059 -2.549 0.00 0.00 C ATOM 26261 C4* C A1228 234.620 99.452 -2.653 0.00 0.00 C ATOM 26262 O4* C A1228 234.131 98.961 -1.411 0.00 0.00 O ATOM 26263 C3* C A1228 233.649 100.543 -3.070 0.00 0.00 C ATOM 26264 O3* C A1228 233.685 100.767 -4.465 0.00 0.00 O ATOM 26265 C2* C A1228 232.326 100.004 -2.541 0.00 0.00 C ATOM 26266 O2* C A1228 231.797 99.018 -3.429 0.00 0.00 O ATOM 26267 C1* C A1228 232.791 99.374 -1.210 0.00 0.00 C ATOM 26268 N1 C A1228 232.756 100.305 -0.037 0.00 0.00 N ATOM 26269 C2 C A1228 231.577 100.400 0.710 0.00 0.00 C ATOM 26270 O2 C A1228 230.598 99.711 0.456 0.00 0.00 O ATOM 26271 N3 C A1228 231.437 101.324 1.689 0.00 0.00 N ATOM 26272 C4 C A1228 232.497 102.053 2.008 0.00 0.00 C ATOM 26273 N4 C A1228 232.332 102.955 2.933 0.00 0.00 N ATOM 26274 C5 C A1228 233.764 101.923 1.371 0.00 0.00 C ATOM 26275 C6 C A1228 233.855 101.038 0.352 0.00 0.00 C ATOM 26276 P A A1229 233.598 102.245 -5.058 0.00 0.00 P ATOM 26277 O1P A A1229 233.985 102.180 -6.479 0.00 0.00 O ATOM 26278 O2P A A1229 234.343 103.122 -4.124 0.00 0.00 O ATOM 26279 O5* A A1229 232.029 102.596 -4.931 0.00 0.00 O ATOM 26280 C5* A A1229 231.031 102.037 -5.768 0.00 0.00 C ATOM 26281 C4* A A1229 229.644 102.630 -5.440 0.00 0.00 C ATOM 26282 O4* A A1229 229.183 102.238 -4.143 0.00 0.00 O ATOM 26283 C3* A A1229 229.624 104.159 -5.463 0.00 0.00 C ATOM 26284 O3* A A1229 229.499 104.710 -6.759 0.00 0.00 O ATOM 26285 C2* A A1229 228.449 104.475 -4.536 0.00 0.00 C ATOM 26286 O2* A A1229 227.142 104.380 -5.097 0.00 0.00 O ATOM 26287 C1* A A1229 228.618 103.378 -3.499 0.00 0.00 C ATOM 26288 N9 A A1229 229.511 103.832 -2.406 0.00 0.00 N ATOM 26289 C8 A A1229 230.833 103.529 -2.167 0.00 0.00 C ATOM 26290 N7 A A1229 231.272 103.937 -1.011 0.00 0.00 N ATOM 26291 C5 A A1229 230.196 104.663 -0.498 0.00 0.00 C ATOM 26292 C6 A A1229 229.999 105.444 0.659 0.00 0.00 C ATOM 26293 N6 A A1229 230.912 105.628 1.598 0.00 0.00 N ATOM 26294 N1 A A1229 228.820 106.037 0.876 0.00 0.00 N ATOM 26295 C2 A A1229 227.855 105.873 -0.024 0.00 0.00 C ATOM 26296 N3 A A1229 227.896 105.170 -1.152 0.00 0.00 N ATOM 26297 C4 A A1229 229.117 104.600 -1.339 0.00 0.00 C ATOM 26298 P C A1230 230.031 106.199 -7.058 0.00 0.00 P ATOM 26299 O1P C A1230 229.985 106.437 -8.514 0.00 0.00 O ATOM 26300 O2P C A1230 231.267 106.414 -6.281 0.00 0.00 O ATOM 26301 O5* C A1230 228.896 107.092 -6.376 0.00 0.00 O ATOM 26302 C5* C A1230 227.601 107.207 -6.910 0.00 0.00 C ATOM 26303 C4* C A1230 226.752 108.041 -5.945 0.00 0.00 C ATOM 26304 O4* C A1230 226.714 107.463 -4.632 0.00 0.00 O ATOM 26305 C3* C A1230 227.271 109.468 -5.788 0.00 0.00 C ATOM 26306 O3* C A1230 226.919 110.317 -6.878 0.00 0.00 O ATOM 26307 C2* C A1230 226.614 109.815 -4.448 0.00 0.00 C ATOM 26308 O2* C A1230 225.219 110.053 -4.535 0.00 0.00 O ATOM 26309 C1* C A1230 226.760 108.519 -3.659 0.00 0.00 C ATOM 26310 N1 C A1230 227.999 108.532 -2.815 0.00 0.00 N ATOM 26311 C2 C A1230 227.979 109.204 -1.577 0.00 0.00 C ATOM 26312 O2 C A1230 226.991 109.842 -1.208 0.00 0.00 O ATOM 26313 N3 C A1230 229.052 109.141 -0.744 0.00 0.00 N ATOM 26314 C4 C A1230 230.114 108.432 -1.115 0.00 0.00 C ATOM 26315 N4 C A1230 231.124 108.385 -0.280 0.00 0.00 N ATOM 26316 C5 C A1230 230.190 107.745 -2.361 0.00 0.00 C ATOM 26317 C6 C A1230 229.131 107.851 -3.195 0.00 0.00 C ATOM 26318 P G A1231 227.588 111.773 -7.015 0.00 0.00 P ATOM 26319 O1P G A1231 227.002 112.383 -8.233 0.00 0.00 O ATOM 26320 O2P G A1231 229.047 111.647 -6.856 0.00 0.00 O ATOM 26321 O5* G A1231 227.001 112.514 -5.728 0.00 0.00 O ATOM 26322 C5* G A1231 225.685 112.995 -5.726 0.00 0.00 C ATOM 26323 C4* G A1231 225.342 113.678 -4.399 0.00 0.00 C ATOM 26324 O4* G A1231 225.603 112.887 -3.247 0.00 0.00 O ATOM 26325 C3* G A1231 226.142 114.959 -4.248 0.00 0.00 C ATOM 26326 O3* G A1231 225.675 115.967 -5.132 0.00 0.00 O ATOM 26327 C2* G A1231 225.925 115.201 -2.755 0.00 0.00 C ATOM 26328 O2* G A1231 224.607 115.641 -2.451 0.00 0.00 O ATOM 26329 C1* G A1231 226.096 113.768 -2.233 0.00 0.00 C ATOM 26330 N9 G A1231 227.524 113.466 -1.956 0.00 0.00 N ATOM 26331 C8 G A1231 228.418 112.742 -2.707 0.00 0.00 C ATOM 26332 N7 G A1231 229.574 112.559 -2.136 0.00 0.00 N ATOM 26333 C5 G A1231 229.473 113.265 -0.938 0.00 0.00 C ATOM 26334 C6 G A1231 230.425 113.490 0.117 0.00 0.00 C ATOM 26335 O6 G A1231 231.566 113.067 0.286 0.00 0.00 O ATOM 26336 N1 G A1231 229.949 114.344 1.083 0.00 0.00 N ATOM 26337 C2 G A1231 228.719 114.904 1.089 0.00 0.00 C ATOM 26338 N2 G A1231 228.519 115.732 2.083 0.00 0.00 N ATOM 26339 N3 G A1231 227.791 114.689 0.153 0.00 0.00 N ATOM 26340 C4 G A1231 228.231 113.862 -0.844 0.00 0.00 C ATOM 26341 P U A1232 226.696 117.084 -5.677 0.00 0.00 P ATOM 26342 O1P U A1232 226.004 117.952 -6.649 0.00 0.00 O ATOM 26343 O2P U A1232 227.951 116.409 -6.061 0.00 0.00 O ATOM 26344 O5* U A1232 226.984 117.920 -4.352 0.00 0.00 O ATOM 26345 C5* U A1232 226.020 118.707 -3.679 0.00 0.00 C ATOM 26346 C4* U A1232 226.706 119.291 -2.438 0.00 0.00 C ATOM 26347 O4* U A1232 227.062 118.271 -1.506 0.00 0.00 O ATOM 26348 C3* U A1232 228.022 119.987 -2.781 0.00 0.00 C ATOM 26349 O3* U A1232 227.866 121.243 -3.422 0.00 0.00 O ATOM 26350 C2* U A1232 228.682 120.009 -1.404 0.00 0.00 C ATOM 26351 O2* U A1232 228.137 121.012 -0.551 0.00 0.00 O ATOM 26352 C1* U A1232 228.306 118.612 -0.888 0.00 0.00 C ATOM 26353 N1 U A1232 229.394 117.630 -1.203 0.00 0.00 N ATOM 26354 C2 U A1232 230.491 117.564 -0.332 0.00 0.00 C ATOM 26355 O2 U A1232 230.600 118.263 0.673 0.00 0.00 O ATOM 26356 N3 U A1232 231.494 116.666 -0.654 0.00 0.00 N ATOM 26357 C4 U A1232 231.526 115.837 -1.749 0.00 0.00 C ATOM 26358 O4 U A1232 232.463 115.056 -1.886 0.00 0.00 O ATOM 26359 C5 U A1232 230.380 115.982 -2.624 0.00 0.00 C ATOM 26360 C6 U A1232 229.372 116.849 -2.342 0.00 0.00 C ATOM 26361 P G A1233 229.102 121.903 -4.187 0.00 0.00 P ATOM 26362 O1P G A1233 228.651 123.153 -4.840 0.00 0.00 O ATOM 26363 O2P G A1233 229.847 120.864 -4.922 0.00 0.00 O ATOM 26364 O5* G A1233 229.949 122.382 -2.942 0.00 0.00 O ATOM 26365 C5* G A1233 231.303 122.731 -3.083 0.00 0.00 C ATOM 26366 C4* G A1233 231.935 122.518 -1.716 0.00 0.00 C ATOM 26367 O4* G A1233 231.767 121.163 -1.330 0.00 0.00 O ATOM 26368 C3* G A1233 233.428 122.794 -1.726 0.00 0.00 C ATOM 26369 O3* G A1233 233.676 124.176 -1.524 0.00 0.00 O ATOM 26370 C2* G A1233 233.877 121.865 -0.591 0.00 0.00 C ATOM 26371 O2* G A1233 233.531 122.314 0.711 0.00 0.00 O ATOM 26372 C1* G A1233 232.969 120.653 -0.799 0.00 0.00 C ATOM 26373 N9 G A1233 233.486 119.598 -1.703 0.00 0.00 N ATOM 26374 C8 G A1233 232.879 119.005 -2.784 0.00 0.00 C ATOM 26375 N7 G A1233 233.503 117.952 -3.238 0.00 0.00 N ATOM 26376 C5 G A1233 234.620 117.832 -2.407 0.00 0.00 C ATOM 26377 C6 G A1233 235.693 116.869 -2.356 0.00 0.00 C ATOM 26378 O6 G A1233 235.888 115.848 -3.018 0.00 0.00 O ATOM 26379 N1 G A1233 236.637 117.172 -1.389 0.00 0.00 N ATOM 26380 C2 G A1233 236.540 118.226 -0.528 0.00 0.00 C ATOM 26381 N2 G A1233 237.510 118.400 0.333 0.00 0.00 N ATOM 26382 N3 G A1233 235.538 119.095 -0.508 0.00 0.00 N ATOM 26383 C4 G A1233 234.618 118.857 -1.483 0.00 0.00 C ATOM 26384 P C A1234 234.742 124.985 -2.418 0.00 0.00 P ATOM 26385 O1P C A1234 234.635 126.426 -2.098 0.00 0.00 O ATOM 26386 O2P C A1234 234.605 124.520 -3.812 0.00 0.00 O ATOM 26387 O5* C A1234 236.152 124.476 -1.850 0.00 0.00 O ATOM 26388 C5* C A1234 236.403 124.573 -0.466 0.00 0.00 C ATOM 26389 C4* C A1234 237.707 123.938 0.012 0.00 0.00 C ATOM 26390 O4* C A1234 237.555 122.527 0.078 0.00 0.00 O ATOM 26391 C3* C A1234 238.928 124.253 -0.841 0.00 0.00 C ATOM 26392 O3* C A1234 239.559 125.446 -0.390 0.00 0.00 O ATOM 26393 C2* C A1234 239.764 122.982 -0.640 0.00 0.00 C ATOM 26394 O2* C A1234 240.555 122.997 0.541 0.00 0.00 O ATOM 26395 C1* C A1234 238.709 121.890 -0.447 0.00 0.00 C ATOM 26396 N1 C A1234 238.384 121.152 -1.703 0.00 0.00 N ATOM 26397 C2 C A1234 239.199 120.076 -2.088 0.00 0.00 C ATOM 26398 O2 C A1234 240.292 119.857 -1.557 0.00 0.00 O ATOM 26399 N3 C A1234 238.796 119.255 -3.095 0.00 0.00 N ATOM 26400 C4 C A1234 237.669 119.520 -3.750 0.00 0.00 C ATOM 26401 N4 C A1234 237.279 118.675 -4.671 0.00 0.00 N ATOM 26402 C5 C A1234 236.863 120.655 -3.460 0.00 0.00 C ATOM 26403 C6 C A1234 237.245 121.435 -2.422 0.00 0.00 C ATOM 26404 P U A1235 240.357 126.390 -1.387 0.00 0.00 P ATOM 26405 O1P U A1235 240.979 127.459 -0.570 0.00 0.00 O ATOM 26406 O2P U A1235 239.370 126.813 -2.403 0.00 0.00 O ATOM 26407 O5* U A1235 241.493 125.430 -2.023 0.00 0.00 O ATOM 26408 C5* U A1235 242.627 125.048 -1.250 0.00 0.00 C ATOM 26409 C4* U A1235 243.452 123.880 -1.822 0.00 0.00 C ATOM 26410 O4* U A1235 242.704 122.665 -1.877 0.00 0.00 O ATOM 26411 C3* U A1235 244.018 124.076 -3.225 0.00 0.00 C ATOM 26412 O3* U A1235 245.142 124.941 -3.311 0.00 0.00 O ATOM 26413 C2* U A1235 244.379 122.619 -3.536 0.00 0.00 C ATOM 26414 O2* U A1235 245.505 122.131 -2.814 0.00 0.00 O ATOM 26415 C1* U A1235 243.208 121.854 -2.939 0.00 0.00 C ATOM 26416 N1 U A1235 242.194 121.516 -3.978 0.00 0.00 N ATOM 26417 C2 U A1235 242.430 120.393 -4.783 0.00 0.00 C ATOM 26418 O2 U A1235 243.483 119.761 -4.773 0.00 0.00 O ATOM 26419 N3 U A1235 241.408 119.997 -5.619 0.00 0.00 N ATOM 26420 C4 U A1235 240.210 120.645 -5.791 0.00 0.00 C ATOM 26421 O4 U A1235 239.385 120.177 -6.566 0.00 0.00 O ATOM 26422 C5 U A1235 240.068 121.850 -4.993 0.00 0.00 C ATOM 26423 C6 U A1235 241.041 122.251 -4.133 0.00 0.00 C ATOM 26424 P A A1236 245.471 125.717 -4.683 0.00 0.00 P ATOM 26425 O1P A A1236 246.816 126.343 -4.564 0.00 0.00 O ATOM 26426 O2P A A1236 244.288 126.535 -5.016 0.00 0.00 O ATOM 26427 O5* A A1236 245.579 124.536 -5.768 0.00 0.00 O ATOM 26428 C5* A A1236 246.748 123.749 -5.814 0.00 0.00 C ATOM 26429 C4* A A1236 246.633 122.530 -6.720 0.00 0.00 C ATOM 26430 O4* A A1236 245.405 121.864 -6.558 0.00 0.00 O ATOM 26431 C3* A A1236 246.730 122.807 -8.227 0.00 0.00 C ATOM 26432 O3* A A1236 248.013 123.238 -8.686 0.00 0.00 O ATOM 26433 C2* A A1236 246.287 121.422 -8.714 0.00 0.00 C ATOM 26434 O2* A A1236 247.299 120.435 -8.602 0.00 0.00 O ATOM 26435 C1* A A1236 245.222 121.040 -7.683 0.00 0.00 C ATOM 26436 N9 A A1236 243.859 121.214 -8.201 0.00 0.00 N ATOM 26437 C8 A A1236 243.011 122.290 -8.119 0.00 0.00 C ATOM 26438 N7 A A1236 241.834 122.076 -8.644 0.00 0.00 N ATOM 26439 C5 A A1236 241.922 120.758 -9.111 0.00 0.00 C ATOM 26440 C6 A A1236 241.047 119.866 -9.775 0.00 0.00 C ATOM 26441 N6 A A1236 239.794 120.130 -10.101 0.00 0.00 N ATOM 26442 N1 A A1236 241.465 118.632 -10.100 0.00 0.00 N ATOM 26443 C2 A A1236 242.700 118.279 -9.772 0.00 0.00 C ATOM 26444 N3 A A1236 243.628 118.999 -9.161 0.00 0.00 N ATOM 26445 C4 A A1236 243.162 120.239 -8.853 0.00 0.00 C ATOM 26446 P C A1237 248.260 123.911 -10.146 0.00 0.00 P ATOM 26447 O1P C A1237 249.605 124.543 -10.173 0.00 0.00 O ATOM 26448 O2P C A1237 247.049 124.671 -10.515 0.00 0.00 O ATOM 26449 O5* C A1237 248.336 122.689 -11.145 0.00 0.00 O ATOM 26450 C5* C A1237 249.465 121.857 -11.207 0.00 0.00 C ATOM 26451 C4* C A1237 249.055 120.581 -11.926 0.00 0.00 C ATOM 26452 O4* C A1237 247.900 120.014 -11.302 0.00 0.00 O ATOM 26453 C3* C A1237 248.755 120.747 -13.409 0.00 0.00 C ATOM 26454 O3* C A1237 249.996 120.721 -14.099 0.00 0.00 O ATOM 26455 C2* C A1237 247.843 119.518 -13.588 0.00 0.00 C ATOM 26456 O2* C A1237 248.544 118.293 -13.617 0.00 0.00 O ATOM 26457 C1* C A1237 247.068 119.429 -12.283 0.00 0.00 C ATOM 26458 N1 C A1237 245.722 120.069 -12.353 0.00 0.00 N ATOM 26459 C2 C A1237 244.605 119.248 -12.562 0.00 0.00 C ATOM 26460 O2 C A1237 244.718 118.021 -12.661 0.00 0.00 O ATOM 26461 N3 C A1237 243.362 119.797 -12.639 0.00 0.00 N ATOM 26462 C4 C A1237 243.213 121.099 -12.406 0.00 0.00 C ATOM 26463 N4 C A1237 241.998 121.595 -12.414 0.00 0.00 N ATOM 26464 C5 C A1237 244.309 121.960 -12.131 0.00 0.00 C ATOM 26465 C6 C A1237 245.548 121.418 -12.156 0.00 0.00 C ATOM 26466 P A A1238 250.159 120.798 -15.693 0.00 0.00 P ATOM 26467 O1P A A1238 248.897 120.293 -16.274 0.00 0.00 O ATOM 26468 O2P A A1238 251.419 120.109 -16.004 0.00 0.00 O ATOM 26469 O5* A A1238 250.341 122.356 -16.074 0.00 0.00 O ATOM 26470 C5* A A1238 249.238 123.230 -16.231 0.00 0.00 C ATOM 26471 C4* A A1238 249.353 124.440 -15.291 0.00 0.00 C ATOM 26472 O4* A A1238 249.952 124.101 -14.042 0.00 0.00 O ATOM 26473 C3* A A1238 250.209 125.571 -15.851 0.00 0.00 C ATOM 26474 O3* A A1238 249.569 126.343 -16.854 0.00 0.00 O ATOM 26475 C2* A A1238 250.454 126.366 -14.566 0.00 0.00 C ATOM 26476 O2* A A1238 249.327 127.136 -14.165 0.00 0.00 O ATOM 26477 C1* A A1238 250.674 125.233 -13.556 0.00 0.00 C ATOM 26478 N9 A A1238 252.133 124.981 -13.428 0.00 0.00 N ATOM 26479 C8 A A1238 252.864 123.886 -13.817 0.00 0.00 C ATOM 26480 N7 A A1238 254.144 123.984 -13.562 0.00 0.00 N ATOM 26481 C5 A A1238 254.269 125.213 -12.911 0.00 0.00 C ATOM 26482 C6 A A1238 255.337 125.926 -12.303 0.00 0.00 C ATOM 26483 N6 A A1238 256.589 125.520 -12.146 0.00 0.00 N ATOM 26484 N1 A A1238 255.126 127.120 -11.749 0.00 0.00 N ATOM 26485 C2 A A1238 253.889 127.601 -11.762 0.00 0.00 C ATOM 26486 N3 A A1238 252.787 127.053 -12.274 0.00 0.00 N ATOM 26487 C4 A A1238 253.047 125.834 -12.837 0.00 0.00 C ATOM 26488 P A A1239 250.420 127.058 -18.014 0.00 0.00 P ATOM 26489 O1P A A1239 249.486 127.845 -18.848 0.00 0.00 O ATOM 26490 O2P A A1239 251.281 126.035 -18.638 0.00 0.00 O ATOM 26491 O5* A A1239 251.381 128.097 -17.248 0.00 0.00 O ATOM 26492 C5* A A1239 250.879 129.284 -16.652 0.00 0.00 C ATOM 26493 C4* A A1239 251.926 130.407 -16.673 0.00 0.00 C ATOM 26494 O4* A A1239 253.094 130.006 -15.968 0.00 0.00 O ATOM 26495 C3* A A1239 252.372 130.789 -18.080 0.00 0.00 C ATOM 26496 O3* A A1239 252.678 132.180 -18.075 0.00 0.00 O ATOM 26497 C2* A A1239 253.643 129.965 -18.239 0.00 0.00 C ATOM 26498 O2* A A1239 254.443 130.498 -19.272 0.00 0.00 O ATOM 26499 C1* A A1239 254.216 130.116 -16.829 0.00 0.00 C ATOM 26500 N9 A A1239 255.195 129.079 -16.441 0.00 0.00 N ATOM 26501 C8 A A1239 254.956 127.753 -16.179 0.00 0.00 C ATOM 26502 N7 A A1239 256.018 127.064 -15.859 0.00 0.00 N ATOM 26503 C5 A A1239 257.041 128.017 -15.908 0.00 0.00 C ATOM 26504 C6 A A1239 258.446 127.970 -15.749 0.00 0.00 C ATOM 26505 N6 A A1239 259.141 126.864 -15.543 0.00 0.00 N ATOM 26506 N1 A A1239 259.197 129.061 -15.922 0.00 0.00 N ATOM 26507 C2 A A1239 258.573 130.195 -16.221 0.00 0.00 C ATOM 26508 N3 A A1239 257.271 130.391 -16.411 0.00 0.00 N ATOM 26509 C4 A A1239 256.548 129.250 -16.248 0.00 0.00 C ATOM 26510 P U A1240 252.096 133.135 -19.213 0.00 0.00 P ATOM 26511 O1P U A1240 251.827 132.322 -20.418 0.00 0.00 O ATOM 26512 O2P U A1240 252.949 134.333 -19.365 0.00 0.00 O ATOM 26513 O5* U A1240 250.697 133.593 -18.478 0.00 0.00 O ATOM 26514 C5* U A1240 250.725 134.648 -17.512 0.00 0.00 C ATOM 26515 C4* U A1240 249.409 135.089 -16.811 0.00 0.00 C ATOM 26516 O4* U A1240 248.456 135.580 -17.751 0.00 0.00 O ATOM 26517 C3* U A1240 248.665 134.055 -15.941 0.00 0.00 C ATOM 26518 O3* U A1240 248.027 134.639 -14.806 0.00 0.00 O ATOM 26519 C2* U A1240 247.529 133.667 -16.882 0.00 0.00 C ATOM 26520 O2* U A1240 246.446 132.971 -16.273 0.00 0.00 O ATOM 26521 C1* U A1240 247.176 135.078 -17.392 0.00 0.00 C ATOM 26522 N1 U A1240 246.270 135.107 -18.566 0.00 0.00 N ATOM 26523 C2 U A1240 245.207 136.008 -18.675 0.00 0.00 C ATOM 26524 O2 U A1240 244.907 136.820 -17.805 0.00 0.00 O ATOM 26525 N3 U A1240 244.472 135.938 -19.850 0.00 0.00 N ATOM 26526 C4 U A1240 244.683 135.077 -20.908 0.00 0.00 C ATOM 26527 O4 U A1240 243.951 135.063 -21.889 0.00 0.00 O ATOM 26528 C5 U A1240 245.826 134.228 -20.736 0.00 0.00 C ATOM 26529 C6 U A1240 246.556 134.269 -19.592 0.00 0.00 C ATOM 26530 P G A1241 248.772 134.966 -13.436 0.00 0.00 P ATOM 26531 O1P G A1241 247.728 135.273 -12.420 0.00 0.00 O ATOM 26532 O2P G A1241 249.830 135.944 -13.751 0.00 0.00 O ATOM 26533 O5* G A1241 249.460 133.554 -13.110 0.00 0.00 O ATOM 26534 C5* G A1241 248.689 132.376 -12.968 0.00 0.00 C ATOM 26535 C4* G A1241 249.598 131.176 -12.734 0.00 0.00 C ATOM 26536 O4* G A1241 250.537 130.982 -13.793 0.00 0.00 O ATOM 26537 C3* G A1241 250.402 131.270 -11.440 0.00 0.00 C ATOM 26538 O3* G A1241 249.621 130.967 -10.293 0.00 0.00 O ATOM 26539 C2* G A1241 251.440 130.204 -11.770 0.00 0.00 C ATOM 26540 O2* G A1241 250.813 128.923 -11.738 0.00 0.00 O ATOM 26541 C1* G A1241 251.771 130.536 -13.231 0.00 0.00 C ATOM 26542 N9 G A1241 252.826 131.575 -13.437 0.00 0.00 N ATOM 26543 C8 G A1241 252.696 132.842 -13.954 0.00 0.00 C ATOM 26544 N7 G A1241 253.826 133.439 -14.231 0.00 0.00 N ATOM 26545 C5 G A1241 254.802 132.509 -13.867 0.00 0.00 C ATOM 26546 C6 G A1241 256.246 132.542 -13.951 0.00 0.00 C ATOM 26547 O6 G A1241 257.010 133.401 -14.393 0.00 0.00 O ATOM 26548 N1 G A1241 256.838 131.394 -13.465 0.00 0.00 N ATOM 26549 C2 G A1241 256.137 130.311 -13.040 0.00 0.00 C ATOM 26550 N2 G A1241 256.828 129.282 -12.636 0.00 0.00 N ATOM 26551 N3 G A1241 254.809 130.224 -12.985 0.00 0.00 N ATOM 26552 C4 G A1241 254.189 131.366 -13.389 0.00 0.00 C ATOM 26553 P G A1242 250.033 131.503 -8.837 0.00 0.00 P ATOM 26554 O1P G A1242 248.961 131.135 -7.887 0.00 0.00 O ATOM 26555 O2P G A1242 250.434 132.916 -8.985 0.00 0.00 O ATOM 26556 O5* G A1242 251.355 130.662 -8.453 0.00 0.00 O ATOM 26557 C5* G A1242 251.275 129.329 -7.974 0.00 0.00 C ATOM 26558 C4* G A1242 252.668 128.781 -7.639 0.00 0.00 C ATOM 26559 O4* G A1242 253.484 128.759 -8.806 0.00 0.00 O ATOM 26560 C3* G A1242 253.426 129.590 -6.580 0.00 0.00 C ATOM 26561 O3* G A1242 253.038 129.277 -5.241 0.00 0.00 O ATOM 26562 C2* G A1242 254.866 129.177 -6.925 0.00 0.00 C ATOM 26563 O2* G A1242 255.190 127.897 -6.409 0.00 0.00 O ATOM 26564 C1* G A1242 254.823 129.072 -8.450 0.00 0.00 C ATOM 26565 N9 G A1242 255.250 130.334 -9.098 0.00 0.00 N ATOM 26566 C8 G A1242 254.478 131.346 -9.615 0.00 0.00 C ATOM 26567 N7 G A1242 255.158 132.278 -10.221 0.00 0.00 N ATOM 26568 C5 G A1242 256.487 131.871 -10.082 0.00 0.00 C ATOM 26569 C6 G A1242 257.717 132.452 -10.550 0.00 0.00 C ATOM 26570 O6 G A1242 257.902 133.469 -11.200 0.00 0.00 O ATOM 26571 N1 G A1242 258.845 131.726 -10.212 0.00 0.00 N ATOM 26572 C2 G A1242 258.809 130.614 -9.423 0.00 0.00 C ATOM 26573 N2 G A1242 259.977 130.198 -8.982 0.00 0.00 N ATOM 26574 N3 G A1242 257.689 130.031 -8.980 0.00 0.00 N ATOM 26575 C4 G A1242 256.554 130.698 -9.361 0.00 0.00 C ATOM 26576 P C A1243 253.392 130.237 -4.016 0.00 0.00 P ATOM 26577 O1P C A1243 252.949 129.596 -2.753 0.00 0.00 O ATOM 26578 O2P C A1243 252.866 131.592 -4.255 0.00 0.00 O ATOM 26579 O5* C A1243 254.977 130.353 -3.931 0.00 0.00 O ATOM 26580 C5* C A1243 255.808 129.300 -3.480 0.00 0.00 C ATOM 26581 C4* C A1243 257.285 129.705 -3.588 0.00 0.00 C ATOM 26582 O4* C A1243 257.683 129.948 -4.932 0.00 0.00 O ATOM 26583 C3* C A1243 257.613 130.963 -2.784 0.00 0.00 C ATOM 26584 O3* C A1243 257.722 130.651 -1.397 0.00 0.00 O ATOM 26585 C2* C A1243 258.915 131.379 -3.488 0.00 0.00 C ATOM 26586 O2* C A1243 260.042 130.611 -3.084 0.00 0.00 O ATOM 26587 C1* C A1243 258.618 131.024 -4.953 0.00 0.00 C ATOM 26588 N1 C A1243 258.081 132.180 -5.732 0.00 0.00 N ATOM 26589 C2 C A1243 258.981 133.052 -6.367 0.00 0.00 C ATOM 26590 O2 C A1243 260.200 132.992 -6.179 0.00 0.00 O ATOM 26591 N3 C A1243 258.509 134.009 -7.205 0.00 0.00 N ATOM 26592 C4 C A1243 257.196 134.157 -7.360 0.00 0.00 C ATOM 26593 N4 C A1243 256.780 135.083 -8.186 0.00 0.00 N ATOM 26594 C5 C A1243 256.243 133.338 -6.693 0.00 0.00 C ATOM 26595 C6 C A1243 256.725 132.362 -5.890 0.00 0.00 C ATOM 26596 P G A1244 257.567 131.750 -0.232 0.00 0.00 P ATOM 26597 O1P G A1244 257.959 131.082 1.048 0.00 0.00 O ATOM 26598 O2P G A1244 256.254 132.429 -0.359 0.00 0.00 O ATOM 26599 O5* G A1244 258.718 132.807 -0.582 0.00 0.00 O ATOM 26600 C5* G A1244 260.051 132.516 -0.217 0.00 0.00 C ATOM 26601 C4* G A1244 261.037 133.594 -0.645 0.00 0.00 C ATOM 26602 O4* G A1244 261.152 133.677 -2.059 0.00 0.00 O ATOM 26603 C3* G A1244 260.671 134.987 -0.147 0.00 0.00 C ATOM 26604 O3* G A1244 260.888 135.148 1.253 0.00 0.00 O ATOM 26605 C2* G A1244 261.598 135.788 -1.070 0.00 0.00 C ATOM 26606 O2* G A1244 262.966 135.713 -0.692 0.00 0.00 O ATOM 26607 C1* G A1244 261.469 135.023 -2.388 0.00 0.00 C ATOM 26608 N9 G A1244 260.431 135.611 -3.266 0.00 0.00 N ATOM 26609 C8 G A1244 259.115 135.262 -3.430 0.00 0.00 C ATOM 26610 N7 G A1244 258.483 135.965 -4.330 0.00 0.00 N ATOM 26611 C5 G A1244 259.447 136.867 -4.796 0.00 0.00 C ATOM 26612 C6 G A1244 259.389 137.932 -5.769 0.00 0.00 C ATOM 26613 O6 G A1244 258.458 138.306 -6.479 0.00 0.00 O ATOM 26614 N1 G A1244 260.578 138.635 -5.875 0.00 0.00 N ATOM 26615 C2 G A1244 261.692 138.362 -5.130 0.00 0.00 C ATOM 26616 N2 G A1244 262.741 139.135 -5.265 0.00 0.00 N ATOM 26617 N3 G A1244 261.787 137.379 -4.241 0.00 0.00 N ATOM 26618 C4 G A1244 260.632 136.667 -4.118 0.00 0.00 C ATOM 26619 P C A1245 260.186 136.336 2.071 0.00 0.00 P ATOM 26620 O1P C A1245 260.664 136.212 3.468 0.00 0.00 O ATOM 26621 O2P C A1245 258.729 136.247 1.820 0.00 0.00 O ATOM 26622 O5* C A1245 260.793 137.671 1.436 0.00 0.00 O ATOM 26623 C5* C A1245 262.153 138.030 1.636 0.00 0.00 C ATOM 26624 C4* C A1245 262.523 139.226 0.756 0.00 0.00 C ATOM 26625 O4* C A1245 262.360 138.931 -0.627 0.00 0.00 O ATOM 26626 C3* C A1245 261.660 140.450 1.042 0.00 0.00 C ATOM 26627 O3* C A1245 262.050 141.107 2.237 0.00 0.00 O ATOM 26628 C2* C A1245 261.893 141.230 -0.256 0.00 0.00 C ATOM 26629 O2* C A1245 263.164 141.855 -0.324 0.00 0.00 O ATOM 26630 C1* C A1245 261.899 140.104 -1.291 0.00 0.00 C ATOM 26631 N1 C A1245 260.552 139.918 -1.913 0.00 0.00 N ATOM 26632 C2 C A1245 260.198 140.755 -2.976 0.00 0.00 C ATOM 26633 O2 C A1245 260.937 141.675 -3.325 0.00 0.00 O ATOM 26634 N3 C A1245 259.021 140.570 -3.632 0.00 0.00 N ATOM 26635 C4 C A1245 258.207 139.594 -3.248 0.00 0.00 C ATOM 26636 N4 C A1245 257.095 139.422 -3.926 0.00 0.00 N ATOM 26637 C5 C A1245 258.507 138.735 -2.152 0.00 0.00 C ATOM 26638 C6 C A1245 259.676 138.942 -1.498 0.00 0.00 C ATOM 26639 P A A1246 261.057 142.093 3.014 0.00 0.00 P ATOM 26640 O1P A A1246 261.746 142.524 4.254 0.00 0.00 O ATOM 26641 O2P A A1246 259.718 141.460 3.097 0.00 0.00 O ATOM 26642 O5* A A1246 260.932 143.355 2.037 0.00 0.00 O ATOM 26643 C5* A A1246 261.994 144.271 1.837 0.00 0.00 C ATOM 26644 C4* A A1246 261.621 145.258 0.726 0.00 0.00 C ATOM 26645 O4* A A1246 261.447 144.560 -0.506 0.00 0.00 O ATOM 26646 C3* A A1246 260.327 146.039 0.993 0.00 0.00 C ATOM 26647 O3* A A1246 260.464 147.117 1.932 0.00 0.00 O ATOM 26648 C2* A A1246 260.007 146.446 -0.456 0.00 0.00 C ATOM 26649 O2* A A1246 260.827 147.501 -0.941 0.00 0.00 O ATOM 26650 C1* A A1246 260.375 145.167 -1.212 0.00 0.00 C ATOM 26651 N9 A A1246 259.221 144.241 -1.299 0.00 0.00 N ATOM 26652 C8 A A1246 258.896 143.155 -0.520 0.00 0.00 C ATOM 26653 N7 A A1246 257.861 142.477 -0.934 0.00 0.00 N ATOM 26654 C5 A A1246 257.449 143.202 -2.061 0.00 0.00 C ATOM 26655 C6 A A1246 256.387 143.081 -2.985 0.00 0.00 C ATOM 26656 N6 A A1246 255.480 142.120 -2.956 0.00 0.00 N ATOM 26657 N1 A A1246 256.194 144.026 -3.914 0.00 0.00 N ATOM 26658 C2 A A1246 257.028 145.057 -3.959 0.00 0.00 C ATOM 26659 N3 A A1246 258.075 145.289 -3.177 0.00 0.00 N ATOM 26660 C4 A A1246 258.236 144.307 -2.248 0.00 0.00 C ATOM 26661 P U A1247 259.198 147.680 2.773 0.00 0.00 P ATOM 26662 O1P U A1247 259.540 148.815 3.664 0.00 0.00 O ATOM 26663 O2P U A1247 258.442 146.529 3.323 0.00 0.00 O ATOM 26664 O5* U A1247 258.249 148.306 1.672 0.00 0.00 O ATOM 26665 C5* U A1247 258.600 149.422 0.883 0.00 0.00 C ATOM 26666 C4* U A1247 257.537 149.601 -0.213 0.00 0.00 C ATOM 26667 O4* U A1247 257.543 148.542 -1.171 0.00 0.00 O ATOM 26668 C3* U A1247 256.117 149.616 0.341 0.00 0.00 C ATOM 26669 O3* U A1247 255.796 150.819 1.007 0.00 0.00 O ATOM 26670 C2* U A1247 255.322 149.313 -0.929 0.00 0.00 C ATOM 26671 O2* U A1247 255.268 150.391 -1.861 0.00 0.00 O ATOM 26672 C1* U A1247 256.196 148.197 -1.518 0.00 0.00 C ATOM 26673 N1 U A1247 255.795 146.846 -1.003 0.00 0.00 N ATOM 26674 C2 U A1247 254.711 146.192 -1.611 0.00 0.00 C ATOM 26675 O2 U A1247 254.027 146.697 -2.505 0.00 0.00 O ATOM 26676 N3 U A1247 254.411 144.918 -1.147 0.00 0.00 N ATOM 26677 C4 U A1247 255.066 144.247 -0.130 0.00 0.00 C ATOM 26678 O4 U A1247 254.764 143.103 0.199 0.00 0.00 O ATOM 26679 C5 U A1247 256.138 145.000 0.475 0.00 0.00 C ATOM 26680 C6 U A1247 256.469 146.239 0.037 0.00 0.00 C ATOM 26681 P A A1248 254.576 150.865 2.048 0.00 0.00 P ATOM 26682 O1P A A1248 254.634 152.189 2.702 0.00 0.00 O ATOM 26683 O2P A A1248 254.689 149.644 2.880 0.00 0.00 O ATOM 26684 O5* A A1248 253.275 150.767 1.079 0.00 0.00 O ATOM 26685 C5* A A1248 252.962 151.809 0.162 0.00 0.00 C ATOM 26686 C4* A A1248 251.675 151.567 -0.648 0.00 0.00 C ATOM 26687 O4* A A1248 251.732 150.407 -1.483 0.00 0.00 O ATOM 26688 C3* A A1248 250.411 151.389 0.190 0.00 0.00 C ATOM 26689 O3* A A1248 249.960 152.565 0.859 0.00 0.00 O ATOM 26690 C2* A A1248 249.467 150.872 -0.905 0.00 0.00 C ATOM 26691 O2* A A1248 249.009 151.886 -1.788 0.00 0.00 O ATOM 26692 C1* A A1248 250.389 149.981 -1.739 0.00 0.00 C ATOM 26693 N9 A A1248 250.191 148.544 -1.424 0.00 0.00 N ATOM 26694 C8 A A1248 250.902 147.745 -0.565 0.00 0.00 C ATOM 26695 N7 A A1248 250.510 146.499 -0.545 0.00 0.00 N ATOM 26696 C5 A A1248 249.442 146.468 -1.449 0.00 0.00 C ATOM 26697 C6 A A1248 248.555 145.466 -1.931 0.00 0.00 C ATOM 26698 N6 A A1248 248.551 144.189 -1.582 0.00 0.00 N ATOM 26699 N1 A A1248 247.615 145.769 -2.834 0.00 0.00 N ATOM 26700 C2 A A1248 247.552 147.022 -3.267 0.00 0.00 C ATOM 26701 N3 A A1248 248.302 148.061 -2.909 0.00 0.00 N ATOM 26702 C4 A A1248 249.241 147.716 -1.984 0.00 0.00 C ATOM 26703 P C A1249 248.715 152.506 1.883 0.00 0.00 P ATOM 26704 O1P C A1249 248.795 153.618 2.861 0.00 0.00 O ATOM 26705 O2P C A1249 248.594 151.125 2.402 0.00 0.00 O ATOM 26706 O5* C A1249 247.462 152.762 0.904 0.00 0.00 O ATOM 26707 C5* C A1249 246.166 152.393 1.333 0.00 0.00 C ATOM 26708 C4* C A1249 245.203 152.207 0.155 0.00 0.00 C ATOM 26709 O4* C A1249 245.771 151.428 -0.901 0.00 0.00 O ATOM 26710 C3* C A1249 243.944 151.493 0.603 0.00 0.00 C ATOM 26711 O3* C A1249 243.033 152.445 1.106 0.00 0.00 O ATOM 26712 C2* C A1249 243.516 150.763 -0.676 0.00 0.00 C ATOM 26713 O2* C A1249 242.889 151.550 -1.670 0.00 0.00 O ATOM 26714 C1* C A1249 244.875 150.374 -1.254 0.00 0.00 C ATOM 26715 N1 C A1249 245.334 149.046 -0.745 0.00 0.00 N ATOM 26716 C2 C A1249 244.752 147.877 -1.266 0.00 0.00 C ATOM 26717 O2 C A1249 243.919 147.933 -2.172 0.00 0.00 O ATOM 26718 N3 C A1249 245.127 146.659 -0.781 0.00 0.00 N ATOM 26719 C4 C A1249 246.087 146.597 0.138 0.00 0.00 C ATOM 26720 N4 C A1249 246.467 145.415 0.564 0.00 0.00 N ATOM 26721 C5 C A1249 246.743 147.750 0.656 0.00 0.00 C ATOM 26722 C6 C A1249 246.331 148.953 0.197 0.00 0.00 C ATOM 26723 P A A1250 242.676 152.490 2.672 0.00 0.00 P ATOM 26724 O1P A A1250 241.822 153.679 2.886 0.00 0.00 O ATOM 26725 O2P A A1250 243.907 152.276 3.467 0.00 0.00 O ATOM 26726 O5* A A1250 241.769 151.172 2.743 0.00 0.00 O ATOM 26727 C5* A A1250 240.720 151.055 1.809 0.00 0.00 C ATOM 26728 C4* A A1250 239.764 149.900 2.035 0.00 0.00 C ATOM 26729 O4* A A1250 240.364 148.616 2.009 0.00 0.00 O ATOM 26730 C3* A A1250 239.002 149.952 3.344 0.00 0.00 C ATOM 26731 O3* A A1250 238.139 151.075 3.419 0.00 0.00 O ATOM 26732 C2* A A1250 238.308 148.594 3.190 0.00 0.00 C ATOM 26733 O2* A A1250 237.257 148.652 2.239 0.00 0.00 O ATOM 26734 C1* A A1250 239.389 147.728 2.537 0.00 0.00 C ATOM 26735 N9 A A1250 240.017 146.776 3.475 0.00 0.00 N ATOM 26736 C8 A A1250 241.115 146.953 4.279 0.00 0.00 C ATOM 26737 N7 A A1250 241.498 145.877 4.917 0.00 0.00 N ATOM 26738 C5 A A1250 240.577 144.912 4.487 0.00 0.00 C ATOM 26739 C6 A A1250 240.414 143.525 4.716 0.00 0.00 C ATOM 26740 N6 A A1250 241.221 142.813 5.493 0.00 0.00 N ATOM 26741 N1 A A1250 239.412 142.851 4.129 0.00 0.00 N ATOM 26742 C2 A A1250 238.585 143.534 3.343 0.00 0.00 C ATOM 26743 N3 A A1250 238.619 144.822 3.024 0.00 0.00 N ATOM 26744 C4 A A1250 239.657 145.461 3.632 0.00 0.00 C ATOM 26745 P A A1251 237.455 151.518 4.802 0.00 0.00 P ATOM 26746 O1P A A1251 236.783 152.818 4.593 0.00 0.00 O ATOM 26747 O2P A A1251 238.432 151.346 5.897 0.00 0.00 O ATOM 26748 O5* A A1251 236.334 150.398 4.991 0.00 0.00 O ATOM 26749 C5* A A1251 235.188 150.372 4.170 0.00 0.00 C ATOM 26750 C4* A A1251 234.472 149.050 4.403 0.00 0.00 C ATOM 26751 O4* A A1251 235.345 147.957 4.122 0.00 0.00 O ATOM 26752 C3* A A1251 233.960 148.878 5.835 0.00 0.00 C ATOM 26753 O3* A A1251 232.736 149.591 6.025 0.00 0.00 O ATOM 26754 C2* A A1251 233.821 147.356 5.805 0.00 0.00 C ATOM 26755 O2* A A1251 232.648 147.043 5.087 0.00 0.00 O ATOM 26756 C1* A A1251 235.018 146.875 4.979 0.00 0.00 C ATOM 26757 N9 A A1251 236.187 146.510 5.824 0.00 0.00 N ATOM 26758 C8 A A1251 237.126 147.345 6.381 0.00 0.00 C ATOM 26759 N7 A A1251 238.086 146.736 7.020 0.00 0.00 N ATOM 26760 C5 A A1251 237.750 145.386 6.892 0.00 0.00 C ATOM 26761 C6 A A1251 238.353 144.184 7.333 0.00 0.00 C ATOM 26762 N6 A A1251 239.511 144.131 7.983 0.00 0.00 N ATOM 26763 N1 A A1251 237.773 143.003 7.085 0.00 0.00 N ATOM 26764 C2 A A1251 236.629 143.009 6.397 0.00 0.00 C ATOM 26765 N3 A A1251 235.956 144.054 5.899 0.00 0.00 N ATOM 26766 C4 A A1251 236.583 145.235 6.185 0.00 0.00 C ATOM 26767 P A A1252 232.048 149.818 7.459 0.00 0.00 P ATOM 26768 O1P A A1252 230.841 150.664 7.259 0.00 0.00 O ATOM 26769 O2P A A1252 233.114 150.273 8.385 0.00 0.00 O ATOM 26770 O5* A A1252 231.624 148.362 8.019 0.00 0.00 O ATOM 26771 C5* A A1252 230.590 147.549 7.485 0.00 0.00 C ATOM 26772 C4* A A1252 230.770 146.085 7.950 0.00 0.00 C ATOM 26773 O4* A A1252 232.032 145.557 7.546 0.00 0.00 O ATOM 26774 C3* A A1252 230.689 145.879 9.462 0.00 0.00 C ATOM 26775 O3* A A1252 229.358 145.718 9.916 0.00 0.00 O ATOM 26776 C2* A A1252 231.544 144.620 9.645 0.00 0.00 C ATOM 26777 O2* A A1252 230.892 143.399 9.332 0.00 0.00 O ATOM 26778 C1* A A1252 232.614 144.780 8.585 0.00 0.00 C ATOM 26779 N9 A A1252 233.824 145.418 9.152 0.00 0.00 N ATOM 26780 C8 A A1252 234.141 146.752 9.222 0.00 0.00 C ATOM 26781 N7 A A1252 235.325 147.016 9.702 0.00 0.00 N ATOM 26782 C5 A A1252 235.817 145.733 10.000 0.00 0.00 C ATOM 26783 C6 A A1252 237.034 145.238 10.520 0.00 0.00 C ATOM 26784 N6 A A1252 238.084 146.003 10.752 0.00 0.00 N ATOM 26785 N1 A A1252 237.204 143.932 10.780 0.00 0.00 N ATOM 26786 C2 A A1252 236.202 143.112 10.477 0.00 0.00 C ATOM 26787 N3 A A1252 235.027 143.422 9.931 0.00 0.00 N ATOM 26788 C4 A A1252 234.894 144.763 9.716 0.00 0.00 C ATOM 26789 P G A1253 229.001 145.763 11.480 0.00 0.00 P ATOM 26790 O1P G A1253 227.534 145.599 11.603 0.00 0.00 O ATOM 26791 O2P G A1253 229.682 146.948 12.042 0.00 0.00 O ATOM 26792 O5* G A1253 229.726 144.439 12.061 0.00 0.00 O ATOM 26793 C5* G A1253 230.343 144.410 13.346 0.00 0.00 C ATOM 26794 C4* G A1253 231.296 143.209 13.398 0.00 0.00 C ATOM 26795 O4* G A1253 232.404 143.426 12.533 0.00 0.00 O ATOM 26796 C3* G A1253 231.932 142.921 14.753 0.00 0.00 C ATOM 26797 O3* G A1253 231.078 142.183 15.594 0.00 0.00 O ATOM 26798 C2* G A1253 233.154 142.103 14.329 0.00 0.00 C ATOM 26799 O2* G A1253 232.880 140.775 13.910 0.00 0.00 O ATOM 26800 C1* G A1253 233.585 142.862 13.082 0.00 0.00 C ATOM 26801 N9 G A1253 234.580 143.916 13.391 0.00 0.00 N ATOM 26802 C8 G A1253 234.526 145.257 13.114 0.00 0.00 C ATOM 26803 N7 G A1253 235.616 145.915 13.411 0.00 0.00 N ATOM 26804 C5 G A1253 236.461 144.937 13.950 0.00 0.00 C ATOM 26805 C6 G A1253 237.816 145.002 14.440 0.00 0.00 C ATOM 26806 O6 G A1253 238.611 145.948 14.453 0.00 0.00 O ATOM 26807 N1 G A1253 238.260 143.791 14.951 0.00 0.00 N ATOM 26808 C2 G A1253 237.557 142.622 14.867 0.00 0.00 C ATOM 26809 N2 G A1253 238.157 141.527 15.264 0.00 0.00 N ATOM 26810 N3 G A1253 236.335 142.517 14.356 0.00 0.00 N ATOM 26811 C4 G A1253 235.825 143.712 13.939 0.00 0.00 C ATOM 26812 P A A1254 230.546 142.769 16.985 0.00 0.00 P ATOM 26813 O1P A A1254 229.261 142.093 17.250 0.00 0.00 O ATOM 26814 O2P A A1254 230.658 144.248 16.944 0.00 0.00 O ATOM 26815 O5* A A1254 231.703 142.180 17.940 0.00 0.00 O ATOM 26816 C5* A A1254 231.809 140.785 18.187 0.00 0.00 C ATOM 26817 C4* A A1254 233.251 140.380 18.522 0.00 0.00 C ATOM 26818 O4* A A1254 234.156 140.776 17.490 0.00 0.00 O ATOM 26819 C3* A A1254 233.791 140.981 19.817 0.00 0.00 C ATOM 26820 O3* A A1254 233.287 140.330 20.971 0.00 0.00 O ATOM 26821 C2* A A1254 235.298 140.805 19.575 0.00 0.00 C ATOM 26822 O2* A A1254 235.749 139.463 19.728 0.00 0.00 O ATOM 26823 C1* A A1254 235.390 141.171 18.088 0.00 0.00 C ATOM 26824 N9 A A1254 235.619 142.630 17.909 0.00 0.00 N ATOM 26825 C8 A A1254 234.729 143.602 17.517 0.00 0.00 C ATOM 26826 N7 A A1254 235.252 144.794 17.391 0.00 0.00 N ATOM 26827 C5 A A1254 236.589 144.598 17.743 0.00 0.00 C ATOM 26828 C6 A A1254 237.725 145.441 17.808 0.00 0.00 C ATOM 26829 N6 A A1254 237.708 146.728 17.495 0.00 0.00 N ATOM 26830 N1 A A1254 238.921 144.957 18.177 0.00 0.00 N ATOM 26831 C2 A A1254 238.988 143.660 18.472 0.00 0.00 C ATOM 26832 N3 A A1254 238.012 142.752 18.457 0.00 0.00 N ATOM 26833 C4 A A1254 236.820 143.289 18.074 0.00 0.00 C ATOM 26834 P G A1255 233.246 141.053 22.407 0.00 0.00 P ATOM 26835 O1P G A1255 232.503 140.193 23.350 0.00 0.00 O ATOM 26836 O2P G A1255 232.848 142.466 22.209 0.00 0.00 O ATOM 26837 O5* G A1255 234.779 141.079 22.851 0.00 0.00 O ATOM 26838 C5* G A1255 235.455 139.918 23.290 0.00 0.00 C ATOM 26839 C4* G A1255 236.886 140.310 23.638 0.00 0.00 C ATOM 26840 O4* G A1255 237.490 140.888 22.473 0.00 0.00 O ATOM 26841 C3* G A1255 236.999 141.329 24.782 0.00 0.00 C ATOM 26842 O3* G A1255 237.077 140.807 26.108 0.00 0.00 O ATOM 26843 C2* G A1255 238.347 141.932 24.384 0.00 0.00 C ATOM 26844 O2* G A1255 239.431 141.041 24.631 0.00 0.00 O ATOM 26845 C1* G A1255 238.293 141.988 22.864 0.00 0.00 C ATOM 26846 N9 G A1255 237.829 143.291 22.316 0.00 0.00 N ATOM 26847 C8 G A1255 236.608 143.680 21.814 0.00 0.00 C ATOM 26848 N7 G A1255 236.589 144.881 21.282 0.00 0.00 N ATOM 26849 C5 G A1255 237.901 145.337 21.479 0.00 0.00 C ATOM 26850 C6 G A1255 238.540 146.586 21.152 0.00 0.00 C ATOM 26851 O6 G A1255 238.077 147.569 20.570 0.00 0.00 O ATOM 26852 N1 G A1255 239.855 146.660 21.597 0.00 0.00 N ATOM 26853 C2 G A1255 240.494 145.644 22.243 0.00 0.00 C ATOM 26854 N2 G A1255 241.719 145.877 22.651 0.00 0.00 N ATOM 26855 N3 G A1255 239.959 144.454 22.506 0.00 0.00 N ATOM 26856 C4 G A1255 238.651 144.372 22.121 0.00 0.00 C ATOM 26857 P A A1256 235.845 140.940 27.152 0.00 0.00 P ATOM 26858 O1P A A1256 234.834 139.921 26.820 0.00 0.00 O ATOM 26859 O2P A A1256 235.457 142.357 27.289 0.00 0.00 O ATOM 26860 O5* A A1256 236.501 140.537 28.559 0.00 0.00 O ATOM 26861 C5* A A1256 237.104 139.277 28.767 0.00 0.00 C ATOM 26862 C4* A A1256 237.971 139.344 30.039 0.00 0.00 C ATOM 26863 O4* A A1256 238.668 140.580 30.114 0.00 0.00 O ATOM 26864 C3* A A1256 237.114 139.287 31.299 0.00 0.00 C ATOM 26865 O3* A A1256 236.547 138.004 31.555 0.00 0.00 O ATOM 26866 C2* A A1256 237.961 140.029 32.343 0.00 0.00 C ATOM 26867 O2* A A1256 238.989 139.395 33.036 0.00 0.00 O ATOM 26868 C1* A A1256 238.734 141.009 31.467 0.00 0.00 C ATOM 26869 N9 A A1256 238.250 142.387 31.643 0.00 0.00 N ATOM 26870 C8 A A1256 237.338 142.868 32.553 0.00 0.00 C ATOM 26871 N7 A A1256 237.201 144.159 32.573 0.00 0.00 N ATOM 26872 C5 A A1256 238.203 144.568 31.684 0.00 0.00 C ATOM 26873 C6 A A1256 238.772 145.818 31.369 0.00 0.00 C ATOM 26874 N6 A A1256 238.414 146.952 31.942 0.00 0.00 N ATOM 26875 N1 A A1256 239.813 145.914 30.540 0.00 0.00 N ATOM 26876 C2 A A1256 240.304 144.793 30.026 0.00 0.00 C ATOM 26877 N3 A A1256 239.911 143.547 30.264 0.00 0.00 N ATOM 26878 C4 A A1256 238.842 143.502 31.107 0.00 0.00 C ATOM 26879 P A A1257 236.901 137.045 32.800 0.00 0.00 P ATOM 26880 O1P A A1257 236.024 135.862 32.736 0.00 0.00 O ATOM 26881 O2P A A1257 236.960 137.884 34.017 0.00 0.00 O ATOM 26882 O5* A A1257 238.402 136.580 32.539 0.00 0.00 O ATOM 26883 C5* A A1257 238.859 136.154 31.274 0.00 0.00 C ATOM 26884 C4* A A1257 240.348 136.524 31.158 0.00 0.00 C ATOM 26885 O4* A A1257 240.723 137.677 31.904 0.00 0.00 O ATOM 26886 C3* A A1257 241.213 135.409 31.713 0.00 0.00 C ATOM 26887 O3* A A1257 241.210 134.236 30.906 0.00 0.00 O ATOM 26888 C2* A A1257 242.513 136.162 32.057 0.00 0.00 C ATOM 26889 O2* A A1257 243.296 136.654 31.001 0.00 0.00 O ATOM 26890 C1* A A1257 241.963 137.472 32.575 0.00 0.00 C ATOM 26891 N9 A A1257 241.870 137.472 34.050 0.00 0.00 N ATOM 26892 C8 A A1257 240.785 137.263 34.862 0.00 0.00 C ATOM 26893 N7 A A1257 241.040 137.397 36.139 0.00 0.00 N ATOM 26894 C5 A A1257 242.403 137.712 36.169 0.00 0.00 C ATOM 26895 C6 A A1257 243.341 138.004 37.192 0.00 0.00 C ATOM 26896 N6 A A1257 243.071 138.062 38.488 0.00 0.00 N ATOM 26897 N1 A A1257 244.618 138.260 36.895 0.00 0.00 N ATOM 26898 C2 A A1257 244.973 138.240 35.615 0.00 0.00 C ATOM 26899 N3 A A1257 244.209 137.999 34.554 0.00 0.00 N ATOM 26900 C4 A A1257 242.918 137.740 34.901 0.00 0.00 C ATOM 26901 P G A1258 241.979 134.080 29.505 0.00 0.00 P ATOM 26902 O1P G A1258 241.559 132.798 28.905 0.00 0.00 O ATOM 26903 O2P G A1258 243.402 134.372 29.787 0.00 0.00 O ATOM 26904 O5* G A1258 241.447 135.274 28.574 0.00 0.00 O ATOM 26905 C5* G A1258 240.185 135.257 27.933 0.00 0.00 C ATOM 26906 C4* G A1258 239.994 136.563 27.158 0.00 0.00 C ATOM 26907 O4* G A1258 239.868 137.701 28.007 0.00 0.00 O ATOM 26908 C3* G A1258 241.159 136.907 26.233 0.00 0.00 C ATOM 26909 O3* G A1258 241.233 136.094 25.075 0.00 0.00 O ATOM 26910 C2* G A1258 240.770 138.347 25.923 0.00 0.00 C ATOM 26911 O2* G A1258 239.664 138.356 25.034 0.00 0.00 O ATOM 26912 C1* G A1258 240.288 138.855 27.281 0.00 0.00 C ATOM 26913 N9 G A1258 241.327 139.610 28.023 0.00 0.00 N ATOM 26914 C8 G A1258 242.113 139.209 29.074 0.00 0.00 C ATOM 26915 N7 G A1258 242.853 140.160 29.582 0.00 0.00 N ATOM 26916 C5 G A1258 242.549 141.281 28.804 0.00 0.00 C ATOM 26917 C6 G A1258 243.032 142.640 28.849 0.00 0.00 C ATOM 26918 O6 G A1258 243.828 143.187 29.617 0.00 0.00 O ATOM 26919 N1 G A1258 242.508 143.429 27.840 0.00 0.00 N ATOM 26920 C2 G A1258 241.581 142.995 26.933 0.00 0.00 C ATOM 26921 N2 G A1258 241.135 143.874 26.064 0.00 0.00 N ATOM 26922 N3 G A1258 241.101 141.751 26.864 0.00 0.00 N ATOM 26923 C4 G A1258 241.629 140.938 27.831 0.00 0.00 C ATOM 26924 P C A1259 242.527 136.143 24.130 0.00 0.00 P ATOM 26925 O1P C A1259 242.329 135.163 23.038 0.00 0.00 O ATOM 26926 O2P C A1259 243.715 136.071 25.002 0.00 0.00 O ATOM 26927 O5* C A1259 242.496 137.624 23.495 0.00 0.00 O ATOM 26928 C5* C A1259 241.630 137.961 22.430 0.00 0.00 C ATOM 26929 C4* C A1259 241.969 139.343 21.862 0.00 0.00 C ATOM 26930 O4* C A1259 241.773 140.425 22.775 0.00 0.00 O ATOM 26931 C3* C A1259 243.423 139.440 21.412 0.00 0.00 C ATOM 26932 O3* C A1259 243.664 138.691 20.229 0.00 0.00 O ATOM 26933 C2* C A1259 243.512 140.967 21.274 0.00 0.00 C ATOM 26934 O2* C A1259 242.808 141.400 20.111 0.00 0.00 O ATOM 26935 C1* C A1259 242.740 141.451 22.519 0.00 0.00 C ATOM 26936 N1 C A1259 243.603 141.667 23.733 0.00 0.00 N ATOM 26937 C2 C A1259 244.041 142.962 24.092 0.00 0.00 C ATOM 26938 O2 C A1259 243.764 143.956 23.412 0.00 0.00 O ATOM 26939 N3 C A1259 244.780 143.149 25.230 0.00 0.00 N ATOM 26940 C4 C A1259 245.018 142.101 26.018 0.00 0.00 C ATOM 26941 N4 C A1259 245.640 142.284 27.159 0.00 0.00 N ATOM 26942 C5 C A1259 244.588 140.786 25.705 0.00 0.00 C ATOM 26943 C6 C A1259 243.900 140.608 24.557 0.00 0.00 C ATOM 26944 P G A1260 245.120 138.096 19.926 0.00 0.00 P ATOM 26945 O1P G A1260 245.086 137.507 18.568 0.00 0.00 O ATOM 26946 O2P G A1260 245.541 137.265 21.068 0.00 0.00 O ATOM 26947 O5* G A1260 246.000 139.445 19.933 0.00 0.00 O ATOM 26948 C5* G A1260 247.370 139.456 20.291 0.00 0.00 C ATOM 26949 C4* G A1260 247.703 140.800 20.952 0.00 0.00 C ATOM 26950 O4* G A1260 246.935 141.000 22.138 0.00 0.00 O ATOM 26951 C3* G A1260 249.168 140.905 21.352 0.00 0.00 C ATOM 26952 O3* G A1260 249.960 141.207 20.213 0.00 0.00 O ATOM 26953 C2* G A1260 249.070 141.969 22.458 0.00 0.00 C ATOM 26954 O2* G A1260 248.899 143.291 21.963 0.00 0.00 O ATOM 26955 C1* G A1260 247.748 141.592 23.145 0.00 0.00 C ATOM 26956 N9 G A1260 247.916 140.612 24.249 0.00 0.00 N ATOM 26957 C8 G A1260 247.693 139.256 24.193 0.00 0.00 C ATOM 26958 N7 G A1260 247.976 138.621 25.292 0.00 0.00 N ATOM 26959 C5 G A1260 248.357 139.629 26.173 0.00 0.00 C ATOM 26960 C6 G A1260 248.774 139.554 27.545 0.00 0.00 C ATOM 26961 O6 G A1260 249.008 138.573 28.243 0.00 0.00 O ATOM 26962 N1 G A1260 248.963 140.783 28.139 0.00 0.00 N ATOM 26963 C2 G A1260 248.892 141.960 27.455 0.00 0.00 C ATOM 26964 N2 G A1260 249.112 143.035 28.183 0.00 0.00 N ATOM 26965 N3 G A1260 248.576 142.075 26.151 0.00 0.00 N ATOM 26966 C4 G A1260 248.298 140.865 25.559 0.00 0.00 C ATOM 26967 P A A1261 251.547 141.466 20.295 0.00 0.00 P ATOM 26968 O1P A A1261 252.155 141.000 19.030 0.00 0.00 O ATOM 26969 O2P A A1261 252.050 140.961 21.593 0.00 0.00 O ATOM 26970 O5* A A1261 251.648 143.069 20.334 0.00 0.00 O ATOM 26971 C5* A A1261 251.020 143.856 19.335 0.00 0.00 C ATOM 26972 C4* A A1261 251.279 145.345 19.563 0.00 0.00 C ATOM 26973 O4* A A1261 250.790 145.747 20.839 0.00 0.00 O ATOM 26974 C3* A A1261 252.769 145.682 19.495 0.00 0.00 C ATOM 26975 O3* A A1261 253.228 145.849 18.150 0.00 0.00 O ATOM 26976 C2* A A1261 252.779 146.957 20.364 0.00 0.00 C ATOM 26977 O2* A A1261 252.373 148.112 19.638 0.00 0.00 O ATOM 26978 C1* A A1261 251.714 146.645 21.430 0.00 0.00 C ATOM 26979 N9 A A1261 252.279 146.042 22.667 0.00 0.00 N ATOM 26980 C8 A A1261 252.054 144.800 23.208 0.00 0.00 C ATOM 26981 N7 A A1261 252.611 144.609 24.375 0.00 0.00 N ATOM 26982 C5 A A1261 253.294 145.805 24.614 0.00 0.00 C ATOM 26983 C6 A A1261 254.141 146.296 25.644 0.00 0.00 C ATOM 26984 N6 A A1261 254.510 145.644 26.733 0.00 0.00 N ATOM 26985 N1 A A1261 254.645 147.531 25.569 0.00 0.00 N ATOM 26986 C2 A A1261 254.336 148.273 24.515 0.00 0.00 C ATOM 26987 N3 A A1261 253.569 147.950 23.480 0.00 0.00 N ATOM 26988 C4 A A1261 253.079 146.686 23.584 0.00 0.00 C ATOM 26989 P C A1262 254.678 145.357 17.634 0.00 0.00 P ATOM 26990 O1P C A1262 254.927 145.989 16.316 0.00 0.00 O ATOM 26991 O2P C A1262 254.810 143.879 17.714 0.00 0.00 O ATOM 26992 O5* C A1262 255.722 145.940 18.685 0.00 0.00 O ATOM 26993 C5* C A1262 256.051 147.311 18.791 0.00 0.00 C ATOM 26994 C4* C A1262 256.901 147.504 20.056 0.00 0.00 C ATOM 26995 O4* C A1262 256.114 147.298 21.222 0.00 0.00 O ATOM 26996 C3* C A1262 258.066 146.519 20.153 0.00 0.00 C ATOM 26997 O3* C A1262 259.189 146.913 19.384 0.00 0.00 O ATOM 26998 C2* C A1262 258.308 146.503 21.661 0.00 0.00 C ATOM 26999 O2* C A1262 259.046 147.620 22.122 0.00 0.00 O ATOM 27000 C1* C A1262 256.891 146.639 22.214 0.00 0.00 C ATOM 27001 N1 C A1262 256.319 145.314 22.588 0.00 0.00 N ATOM 27002 C2 C A1262 256.672 144.775 23.831 0.00 0.00 C ATOM 27003 O2 C A1262 257.527 145.322 24.524 0.00 0.00 O ATOM 27004 N3 C A1262 256.064 143.641 24.266 0.00 0.00 N ATOM 27005 C4 C A1262 255.162 143.050 23.504 0.00 0.00 C ATOM 27006 N4 C A1262 254.610 141.973 24.005 0.00 0.00 N ATOM 27007 C5 C A1262 254.840 143.505 22.190 0.00 0.00 C ATOM 27008 C6 C A1262 255.438 144.648 21.772 0.00 0.00 C ATOM 27009 P C A1263 260.303 145.842 18.984 0.00 0.00 P ATOM 27010 O1P C A1263 261.301 146.592 18.190 0.00 0.00 O ATOM 27011 O2P C A1263 259.580 144.724 18.338 0.00 0.00 O ATOM 27012 O5* C A1263 260.961 145.343 20.362 0.00 0.00 O ATOM 27013 C5* C A1263 261.885 146.127 21.106 0.00 0.00 C ATOM 27014 C4* C A1263 262.335 145.393 22.384 0.00 0.00 C ATOM 27015 O4* C A1263 261.264 145.189 23.309 0.00 0.00 O ATOM 27016 C3* C A1263 262.915 144.007 22.113 0.00 0.00 C ATOM 27017 O3* C A1263 264.232 144.033 21.592 0.00 0.00 O ATOM 27018 C2* C A1263 262.794 143.388 23.511 0.00 0.00 C ATOM 27019 O2* C A1263 263.759 143.853 24.441 0.00 0.00 O ATOM 27020 C1* C A1263 261.443 143.929 23.971 0.00 0.00 C ATOM 27021 N1 C A1263 260.346 142.969 23.647 0.00 0.00 N ATOM 27022 C2 C A1263 260.065 141.898 24.516 0.00 0.00 C ATOM 27023 O2 C A1263 260.798 141.604 25.468 0.00 0.00 O ATOM 27024 N3 C A1263 258.979 141.113 24.275 0.00 0.00 N ATOM 27025 C4 C A1263 258.202 141.372 23.226 0.00 0.00 C ATOM 27026 N4 C A1263 257.153 140.609 23.036 0.00 0.00 N ATOM 27027 C5 C A1263 258.502 142.380 22.269 0.00 0.00 C ATOM 27028 C6 C A1263 259.600 143.134 22.504 0.00 0.00 C ATOM 27029 P U A1264 264.827 142.767 20.799 0.00 0.00 P ATOM 27030 O1P U A1264 266.170 143.115 20.295 0.00 0.00 O ATOM 27031 O2P U A1264 263.784 142.263 19.877 0.00 0.00 O ATOM 27032 O5* U A1264 264.991 141.674 21.958 0.00 0.00 O ATOM 27033 C5* U A1264 265.991 141.768 22.952 0.00 0.00 C ATOM 27034 C4* U A1264 265.770 140.654 23.983 0.00 0.00 C ATOM 27035 O4* U A1264 264.460 140.717 24.543 0.00 0.00 O ATOM 27036 C3* U A1264 265.914 139.262 23.377 0.00 0.00 C ATOM 27037 O3* U A1264 267.269 138.877 23.251 0.00 0.00 O ATOM 27038 C2* U A1264 265.119 138.430 24.384 0.00 0.00 C ATOM 27039 O2* U A1264 265.825 138.155 25.585 0.00 0.00 O ATOM 27040 C1* U A1264 263.978 139.387 24.733 0.00 0.00 C ATOM 27041 N1 U A1264 262.756 139.077 23.936 0.00 0.00 N ATOM 27042 C2 U A1264 261.974 138.005 24.374 0.00 0.00 C ATOM 27043 O2 U A1264 262.326 137.231 25.260 0.00 0.00 O ATOM 27044 N3 U A1264 260.766 137.819 23.740 0.00 0.00 N ATOM 27045 C4 U A1264 260.281 138.554 22.686 0.00 0.00 C ATOM 27046 O4 U A1264 259.202 138.257 22.187 0.00 0.00 O ATOM 27047 C5 U A1264 261.186 139.582 22.215 0.00 0.00 C ATOM 27048 C6 U A1264 262.381 139.802 22.824 0.00 0.00 C ATOM 27049 P C A1265 267.726 137.777 22.176 0.00 0.00 P ATOM 27050 O1P C A1265 269.201 137.748 22.161 0.00 0.00 O ATOM 27051 O2P C A1265 266.959 138.016 20.930 0.00 0.00 O ATOM 27052 O5* C A1265 267.187 136.397 22.789 0.00 0.00 O ATOM 27053 C5* C A1265 267.827 135.683 23.828 0.00 0.00 C ATOM 27054 C4* C A1265 267.102 134.344 24.075 0.00 0.00 C ATOM 27055 O4* C A1265 265.775 134.509 24.589 0.00 0.00 O ATOM 27056 C3* C A1265 266.949 133.501 22.810 0.00 0.00 C ATOM 27057 O3* C A1265 268.141 132.838 22.430 0.00 0.00 O ATOM 27058 C2* C A1265 265.815 132.562 23.237 0.00 0.00 C ATOM 27059 O2* C A1265 266.235 131.546 24.144 0.00 0.00 O ATOM 27060 C1* C A1265 264.905 133.531 24.001 0.00 0.00 C ATOM 27061 N1 C A1265 263.879 134.178 23.114 0.00 0.00 N ATOM 27062 C2 C A1265 262.640 133.551 22.886 0.00 0.00 C ATOM 27063 O2 C A1265 262.390 132.427 23.327 0.00 0.00 O ATOM 27064 N3 C A1265 261.675 134.187 22.162 0.00 0.00 N ATOM 27065 C4 C A1265 261.918 135.407 21.684 0.00 0.00 C ATOM 27066 N4 C A1265 260.969 136.030 21.023 0.00 0.00 N ATOM 27067 C5 C A1265 263.162 136.076 21.872 0.00 0.00 C ATOM 27068 C6 C A1265 264.114 135.417 22.571 0.00 0.00 C ATOM 27069 P G A1266 268.452 132.541 20.882 0.00 0.00 P ATOM 27070 O1P G A1266 269.726 131.793 20.811 0.00 0.00 O ATOM 27071 O2P G A1266 268.266 133.796 20.125 0.00 0.00 O ATOM 27072 O5* G A1266 267.248 131.561 20.490 0.00 0.00 O ATOM 27073 C5* G A1266 267.274 130.199 20.858 0.00 0.00 C ATOM 27074 C4* G A1266 265.985 129.524 20.411 0.00 0.00 C ATOM 27075 O4* G A1266 264.858 130.133 21.037 0.00 0.00 O ATOM 27076 C3* G A1266 265.748 129.590 18.902 0.00 0.00 C ATOM 27077 O3* G A1266 266.485 128.638 18.151 0.00 0.00 O ATOM 27078 C2* G A1266 264.251 129.290 18.914 0.00 0.00 C ATOM 27079 O2* G A1266 263.962 127.938 19.237 0.00 0.00 O ATOM 27080 C1* G A1266 263.782 130.109 20.114 0.00 0.00 C ATOM 27081 N9 G A1266 263.355 131.470 19.712 0.00 0.00 N ATOM 27082 C8 G A1266 264.042 132.658 19.651 0.00 0.00 C ATOM 27083 N7 G A1266 263.334 133.672 19.214 0.00 0.00 N ATOM 27084 C5 G A1266 262.091 133.092 18.917 0.00 0.00 C ATOM 27085 C6 G A1266 260.891 133.630 18.326 0.00 0.00 C ATOM 27086 O6 G A1266 260.661 134.777 17.939 0.00 0.00 O ATOM 27087 N1 G A1266 259.886 132.679 18.187 0.00 0.00 N ATOM 27088 C2 G A1266 260.005 131.381 18.595 0.00 0.00 C ATOM 27089 N2 G A1266 258.944 130.628 18.471 0.00 0.00 N ATOM 27090 N3 G A1266 261.087 130.853 19.147 0.00 0.00 N ATOM 27091 C4 G A1266 262.100 131.756 19.258 0.00 0.00 C ATOM 27092 P C A1267 267.282 129.060 16.818 0.00 0.00 P ATOM 27093 O1P C A1267 267.785 127.829 16.173 0.00 0.00 O ATOM 27094 O2P C A1267 268.216 130.153 17.145 0.00 0.00 O ATOM 27095 O5* C A1267 266.137 129.669 15.864 0.00 0.00 O ATOM 27096 C5* C A1267 266.463 130.531 14.788 0.00 0.00 C ATOM 27097 C4* C A1267 265.523 130.328 13.594 0.00 0.00 C ATOM 27098 O4* C A1267 265.695 129.030 13.046 0.00 0.00 O ATOM 27099 C3* C A1267 264.046 130.493 13.931 0.00 0.00 C ATOM 27100 O3* C A1267 263.662 131.853 13.830 0.00 0.00 O ATOM 27101 C2* C A1267 263.385 129.600 12.876 0.00 0.00 C ATOM 27102 O2* C A1267 263.177 130.262 11.631 0.00 0.00 O ATOM 27103 C1* C A1267 264.434 128.506 12.663 0.00 0.00 C ATOM 27104 N1 C A1267 264.136 127.253 13.419 0.00 0.00 N ATOM 27105 C2 C A1267 263.661 126.150 12.699 0.00 0.00 C ATOM 27106 O2 C A1267 263.371 126.267 11.511 0.00 0.00 O ATOM 27107 N3 C A1267 263.496 124.955 13.323 0.00 0.00 N ATOM 27108 C4 C A1267 263.765 124.853 14.610 0.00 0.00 C ATOM 27109 N4 C A1267 263.585 123.662 15.129 0.00 0.00 N ATOM 27110 C5 C A1267 264.198 125.953 15.403 0.00 0.00 C ATOM 27111 C6 C A1267 264.367 127.140 14.770 0.00 0.00 C ATOM 27112 P G A1268 262.695 132.513 14.910 0.00 0.00 P ATOM 27113 O1P G A1268 262.433 133.883 14.400 0.00 0.00 O ATOM 27114 O2P G A1268 263.322 132.322 16.227 0.00 0.00 O ATOM 27115 O5* G A1268 261.366 131.597 14.843 0.00 0.00 O ATOM 27116 C5* G A1268 260.528 131.566 13.705 0.00 0.00 C ATOM 27117 C4* G A1268 259.551 130.383 13.763 0.00 0.00 C ATOM 27118 O4* G A1268 260.204 129.116 13.820 0.00 0.00 O ATOM 27119 C3* G A1268 258.597 130.436 14.950 0.00 0.00 C ATOM 27120 O3* G A1268 257.556 131.375 14.691 0.00 0.00 O ATOM 27121 C2* G A1268 258.144 128.974 14.946 0.00 0.00 C ATOM 27122 O2* G A1268 257.171 128.829 13.926 0.00 0.00 O ATOM 27123 C1* G A1268 259.401 128.179 14.533 0.00 0.00 C ATOM 27124 N9 G A1268 260.202 127.619 15.667 0.00 0.00 N ATOM 27125 C8 G A1268 261.112 128.317 16.426 0.00 0.00 C ATOM 27126 N7 G A1268 261.801 127.596 17.264 0.00 0.00 N ATOM 27127 C5 G A1268 261.328 126.303 17.048 0.00 0.00 C ATOM 27128 C6 G A1268 261.738 125.070 17.663 0.00 0.00 C ATOM 27129 O6 G A1268 262.591 124.870 18.519 0.00 0.00 O ATOM 27130 N1 G A1268 261.060 123.965 17.204 0.00 0.00 N ATOM 27131 C2 G A1268 260.083 124.031 16.260 0.00 0.00 C ATOM 27132 N2 G A1268 259.560 122.851 15.996 0.00 0.00 N ATOM 27133 N3 G A1268 259.643 125.168 15.669 0.00 0.00 N ATOM 27134 C4 G A1268 260.326 126.292 16.091 0.00 0.00 C ATOM 27135 P A A1269 256.517 131.838 15.810 0.00 0.00 P ATOM 27136 O1P A A1269 255.747 132.919 15.148 0.00 0.00 O ATOM 27137 O2P A A1269 257.359 132.206 16.966 0.00 0.00 O ATOM 27138 O5* A A1269 255.546 130.609 16.210 0.00 0.00 O ATOM 27139 C5* A A1269 254.434 130.223 15.408 0.00 0.00 C ATOM 27140 C4* A A1269 253.869 128.853 15.826 0.00 0.00 C ATOM 27141 O4* A A1269 254.904 127.877 15.760 0.00 0.00 O ATOM 27142 C3* A A1269 253.281 128.762 17.237 0.00 0.00 C ATOM 27143 O3* A A1269 251.914 129.124 17.366 0.00 0.00 O ATOM 27144 C2* A A1269 253.438 127.263 17.509 0.00 0.00 C ATOM 27145 O2* A A1269 252.431 126.463 16.880 0.00 0.00 O ATOM 27146 C1* A A1269 254.759 126.946 16.818 0.00 0.00 C ATOM 27147 N9 A A1269 255.941 127.029 17.711 0.00 0.00 N ATOM 27148 C8 A A1269 256.609 128.139 18.172 0.00 0.00 C ATOM 27149 N7 A A1269 257.711 127.878 18.827 0.00 0.00 N ATOM 27150 C5 A A1269 257.747 126.478 18.833 0.00 0.00 C ATOM 27151 C6 A A1269 258.641 125.513 19.357 0.00 0.00 C ATOM 27152 N6 A A1269 259.771 125.798 19.987 0.00 0.00 N ATOM 27153 N1 A A1269 258.416 124.207 19.175 0.00 0.00 N ATOM 27154 C2 A A1269 257.335 123.854 18.490 0.00 0.00 C ATOM 27155 N3 A A1269 256.397 124.631 17.950 0.00 0.00 N ATOM 27156 C4 A A1269 256.671 125.954 18.160 0.00 0.00 C ATOM 27157 P G A1270 251.476 130.407 18.210 0.00 0.00 P ATOM 27158 O1P G A1270 250.005 130.456 18.335 0.00 0.00 O ATOM 27159 O2P G A1270 252.077 131.604 17.591 0.00 0.00 O ATOM 27160 O5* G A1270 252.112 130.234 19.668 0.00 0.00 O ATOM 27161 C5* G A1270 251.889 129.073 20.450 0.00 0.00 C ATOM 27162 C4* G A1270 253.147 128.757 21.264 0.00 0.00 C ATOM 27163 O4* G A1270 254.307 128.812 20.433 0.00 0.00 O ATOM 27164 C3* G A1270 253.411 129.676 22.449 0.00 0.00 C ATOM 27165 O3* G A1270 252.613 129.307 23.558 0.00 0.00 O ATOM 27166 C2* G A1270 254.914 129.436 22.641 0.00 0.00 C ATOM 27167 O2* G A1270 255.245 128.188 23.218 0.00 0.00 O ATOM 27168 C1* G A1270 255.383 129.351 21.192 0.00 0.00 C ATOM 27169 N9 G A1270 255.824 130.694 20.743 0.00 0.00 N ATOM 27170 C8 G A1270 255.174 131.669 20.029 0.00 0.00 C ATOM 27171 N7 G A1270 255.851 132.784 19.917 0.00 0.00 N ATOM 27172 C5 G A1270 257.047 132.535 20.602 0.00 0.00 C ATOM 27173 C6 G A1270 258.220 133.342 20.855 0.00 0.00 C ATOM 27174 O6 G A1270 258.492 134.495 20.519 0.00 0.00 O ATOM 27175 N1 G A1270 259.191 132.672 21.582 0.00 0.00 N ATOM 27176 C2 G A1270 259.067 131.380 22.007 0.00 0.00 C ATOM 27177 N2 G A1270 260.061 130.839 22.668 0.00 0.00 N ATOM 27178 N3 G A1270 258.002 130.613 21.805 0.00 0.00 N ATOM 27179 C4 G A1270 257.028 131.247 21.093 0.00 0.00 C ATOM 27180 P A A1271 252.354 130.315 24.780 0.00 0.00 P ATOM 27181 O1P A A1271 251.371 129.681 25.676 0.00 0.00 O ATOM 27182 O2P A A1271 252.078 131.644 24.195 0.00 0.00 O ATOM 27183 O5* A A1271 253.781 130.382 25.524 0.00 0.00 O ATOM 27184 C5* A A1271 254.303 129.279 26.241 0.00 0.00 C ATOM 27185 C4* A A1271 255.733 129.540 26.744 0.00 0.00 C ATOM 27186 O4* A A1271 256.632 129.771 25.656 0.00 0.00 O ATOM 27187 C3* A A1271 255.868 130.741 27.683 0.00 0.00 C ATOM 27188 O3* A A1271 255.512 130.485 29.031 0.00 0.00 O ATOM 27189 C2* A A1271 257.358 131.060 27.514 0.00 0.00 C ATOM 27190 O2* A A1271 258.230 130.168 28.203 0.00 0.00 O ATOM 27191 C1* A A1271 257.535 130.816 26.016 0.00 0.00 C ATOM 27192 N9 A A1271 257.242 132.045 25.239 0.00 0.00 N ATOM 27193 C8 A A1271 256.100 132.378 24.545 0.00 0.00 C ATOM 27194 N7 A A1271 256.181 133.495 23.883 0.00 0.00 N ATOM 27195 C5 A A1271 257.451 133.963 24.207 0.00 0.00 C ATOM 27196 C6 A A1271 258.166 135.124 23.861 0.00 0.00 C ATOM 27197 N6 A A1271 257.658 136.029 23.047 0.00 0.00 N ATOM 27198 N1 A A1271 259.398 135.341 24.345 0.00 0.00 N ATOM 27199 C2 A A1271 259.910 134.412 25.153 0.00 0.00 C ATOM 27200 N3 A A1271 259.356 133.268 25.558 0.00 0.00 N ATOM 27201 C4 A A1271 258.104 133.101 25.044 0.00 0.00 C ATOM 27202 P G A1272 255.065 131.685 30.008 0.00 0.00 P ATOM 27203 O1P G A1272 254.792 131.110 31.343 0.00 0.00 O ATOM 27204 O2P G A1272 254.039 132.484 29.310 0.00 0.00 O ATOM 27205 O5* G A1272 256.376 132.608 30.110 0.00 0.00 O ATOM 27206 C5* G A1272 257.453 132.283 30.966 0.00 0.00 C ATOM 27207 C4* G A1272 258.494 133.405 30.933 0.00 0.00 C ATOM 27208 O4* G A1272 258.989 133.578 29.608 0.00 0.00 O ATOM 27209 C3* G A1272 257.938 134.760 31.370 0.00 0.00 C ATOM 27210 O3* G A1272 257.857 134.930 32.775 0.00 0.00 O ATOM 27211 C2* G A1272 258.960 135.689 30.713 0.00 0.00 C ATOM 27212 O2* G A1272 260.197 135.793 31.402 0.00 0.00 O ATOM 27213 C1* G A1272 259.254 134.959 29.407 0.00 0.00 C ATOM 27214 N9 G A1272 258.446 135.541 28.315 0.00 0.00 N ATOM 27215 C8 G A1272 257.238 135.158 27.792 0.00 0.00 C ATOM 27216 N7 G A1272 256.812 135.931 26.826 0.00 0.00 N ATOM 27217 C5 G A1272 257.798 136.919 26.716 0.00 0.00 C ATOM 27218 C6 G A1272 257.924 138.076 25.863 0.00 0.00 C ATOM 27219 O6 G A1272 257.204 138.469 24.944 0.00 0.00 O ATOM 27220 N1 G A1272 259.033 138.849 26.167 0.00 0.00 N ATOM 27221 C2 G A1272 259.961 138.517 27.114 0.00 0.00 C ATOM 27222 N2 G A1272 260.975 139.327 27.304 0.00 0.00 N ATOM 27223 N3 G A1272 259.900 137.437 27.885 0.00 0.00 N ATOM 27224 C4 G A1272 258.788 136.685 27.645 0.00 0.00 C ATOM 27225 P C A1273 256.845 136.000 33.422 0.00 0.00 P ATOM 27226 O1P C A1273 257.064 136.005 34.885 0.00 0.00 O ATOM 27227 O2P C A1273 255.501 135.745 32.868 0.00 0.00 O ATOM 27228 O5* C A1273 257.358 137.403 32.815 0.00 0.00 O ATOM 27229 C5* C A1273 258.510 138.052 33.319 0.00 0.00 C ATOM 27230 C4* C A1273 258.829 139.301 32.489 0.00 0.00 C ATOM 27231 O4* C A1273 258.953 139.001 31.098 0.00 0.00 O ATOM 27232 C3* C A1273 257.762 140.385 32.599 0.00 0.00 C ATOM 27233 O3* C A1273 257.859 141.132 33.804 0.00 0.00 O ATOM 27234 C2* C A1273 258.112 141.199 31.350 0.00 0.00 C ATOM 27235 O2* C A1273 259.247 142.037 31.526 0.00 0.00 O ATOM 27236 C1* C A1273 258.507 140.123 30.339 0.00 0.00 C ATOM 27237 N1 C A1273 257.379 139.822 29.401 0.00 0.00 N ATOM 27238 C2 C A1273 257.140 140.715 28.345 0.00 0.00 C ATOM 27239 O2 C A1273 257.813 141.738 28.243 0.00 0.00 O ATOM 27240 N3 C A1273 256.166 140.447 27.432 0.00 0.00 N ATOM 27241 C4 C A1273 255.448 139.341 27.548 0.00 0.00 C ATOM 27242 N4 C A1273 254.555 139.112 26.609 0.00 0.00 N ATOM 27243 C5 C A1273 255.623 138.426 28.630 0.00 0.00 C ATOM 27244 C6 C A1273 256.589 138.706 29.541 0.00 0.00 C ATOM 27245 P A A1274 256.576 141.842 34.470 0.00 0.00 P ATOM 27246 O1P A A1274 257.010 142.514 35.711 0.00 0.00 O ATOM 27247 O2P A A1274 255.483 140.851 34.501 0.00 0.00 O ATOM 27248 O5* A A1274 256.156 142.970 33.406 0.00 0.00 O ATOM 27249 C5* A A1274 256.909 144.144 33.190 0.00 0.00 C ATOM 27250 C4* A A1274 256.466 144.806 31.876 0.00 0.00 C ATOM 27251 O4* A A1274 256.693 143.948 30.762 0.00 0.00 O ATOM 27252 C3* A A1274 254.989 145.177 31.818 0.00 0.00 C ATOM 27253 O3* A A1274 254.719 146.395 32.479 0.00 0.00 O ATOM 27254 C2* A A1274 254.744 145.180 30.303 0.00 0.00 C ATOM 27255 O2* A A1274 255.293 146.280 29.590 0.00 0.00 O ATOM 27256 C1* A A1274 255.561 143.961 29.896 0.00 0.00 C ATOM 27257 N9 A A1274 254.738 142.724 29.973 0.00 0.00 N ATOM 27258 C8 A A1274 254.723 141.717 30.916 0.00 0.00 C ATOM 27259 N7 A A1274 253.930 140.724 30.634 0.00 0.00 N ATOM 27260 C5 A A1274 253.338 141.123 29.441 0.00 0.00 C ATOM 27261 C6 A A1274 252.361 140.541 28.613 0.00 0.00 C ATOM 27262 N6 A A1274 251.788 139.380 28.897 0.00 0.00 N ATOM 27263 N1 A A1274 251.930 141.188 27.526 0.00 0.00 N ATOM 27264 C2 A A1274 252.456 142.381 27.254 0.00 0.00 C ATOM 27265 N3 A A1274 253.398 143.042 27.931 0.00 0.00 N ATOM 27266 C4 A A1274 253.801 142.346 29.036 0.00 0.00 C ATOM 27267 P A A1275 253.214 146.918 32.646 0.00 0.00 P ATOM 27268 O1P A A1275 253.164 147.816 33.818 0.00 0.00 O ATOM 27269 O2P A A1275 252.294 145.767 32.524 0.00 0.00 O ATOM 27270 O5* A A1275 253.097 147.786 31.309 0.00 0.00 O ATOM 27271 C5* A A1275 253.795 149.008 31.174 0.00 0.00 C ATOM 27272 C4* A A1275 253.371 149.682 29.873 0.00 0.00 C ATOM 27273 O4* A A1275 253.582 148.807 28.768 0.00 0.00 O ATOM 27274 C3* A A1275 251.889 150.037 29.857 0.00 0.00 C ATOM 27275 O3* A A1275 251.580 151.211 30.589 0.00 0.00 O ATOM 27276 C2* A A1275 251.680 150.170 28.349 0.00 0.00 C ATOM 27277 O2* A A1275 252.180 151.385 27.805 0.00 0.00 O ATOM 27278 C1* A A1275 252.559 149.045 27.807 0.00 0.00 C ATOM 27279 N9 A A1275 251.758 147.826 27.528 0.00 0.00 N ATOM 27280 C8 A A1275 251.655 146.658 28.242 0.00 0.00 C ATOM 27281 N7 A A1275 250.948 145.727 27.651 0.00 0.00 N ATOM 27282 C5 A A1275 250.519 146.339 26.467 0.00 0.00 C ATOM 27283 C6 A A1275 249.710 145.965 25.358 0.00 0.00 C ATOM 27284 N6 A A1275 249.116 144.808 25.116 0.00 0.00 N ATOM 27285 N1 A A1275 249.427 146.837 24.392 0.00 0.00 N ATOM 27286 C2 A A1275 249.941 148.054 24.482 0.00 0.00 C ATOM 27287 N3 A A1275 250.726 148.545 25.434 0.00 0.00 N ATOM 27288 C4 A A1275 250.979 147.631 26.412 0.00 0.00 C ATOM 27289 P G A1276 250.100 151.454 31.168 0.00 0.00 P ATOM 27290 O1P G A1276 250.078 152.753 31.873 0.00 0.00 O ATOM 27291 O2P G A1276 249.670 150.219 31.853 0.00 0.00 O ATOM 27292 O5* G A1276 249.224 151.581 29.828 0.00 0.00 O ATOM 27293 C5* G A1276 249.280 152.727 29.005 0.00 0.00 C ATOM 27294 C4* G A1276 248.555 152.463 27.677 0.00 0.00 C ATOM 27295 O4* G A1276 249.094 151.350 26.955 0.00 0.00 O ATOM 27296 C3* G A1276 247.071 152.156 27.832 0.00 0.00 C ATOM 27297 O3* G A1276 246.287 153.302 28.079 0.00 0.00 O ATOM 27298 C2* G A1276 246.804 151.499 26.469 0.00 0.00 C ATOM 27299 O2* G A1276 246.854 152.416 25.380 0.00 0.00 O ATOM 27300 C1* G A1276 248.031 150.603 26.349 0.00 0.00 C ATOM 27301 N9 G A1276 247.818 149.278 27.006 0.00 0.00 N ATOM 27302 C8 G A1276 248.266 148.862 28.239 0.00 0.00 C ATOM 27303 N7 G A1276 248.063 147.601 28.490 0.00 0.00 N ATOM 27304 C5 G A1276 247.385 147.139 27.366 0.00 0.00 C ATOM 27305 C6 G A1276 246.864 145.831 27.072 0.00 0.00 C ATOM 27306 O6 G A1276 246.948 144.780 27.701 0.00 0.00 O ATOM 27307 N1 G A1276 246.149 145.783 25.899 0.00 0.00 N ATOM 27308 C2 G A1276 245.961 146.852 25.086 0.00 0.00 C ATOM 27309 N2 G A1276 245.151 146.591 24.090 0.00 0.00 N ATOM 27310 N3 G A1276 246.463 148.086 25.290 0.00 0.00 N ATOM 27311 C4 G A1276 247.174 148.171 26.467 0.00 0.00 C ATOM 27312 P C A1277 244.821 153.165 28.718 0.00 0.00 P ATOM 27313 O1P C A1277 244.233 154.518 28.775 0.00 0.00 O ATOM 27314 O2P C A1277 244.910 152.310 29.925 0.00 0.00 O ATOM 27315 O5* C A1277 244.048 152.290 27.623 0.00 0.00 O ATOM 27316 C5* C A1277 243.624 152.796 26.375 0.00 0.00 C ATOM 27317 C4* C A1277 242.812 151.690 25.689 0.00 0.00 C ATOM 27318 O4* C A1277 243.549 150.472 25.532 0.00 0.00 O ATOM 27319 C3* C A1277 241.562 151.360 26.501 0.00 0.00 C ATOM 27320 O3* C A1277 240.487 152.225 26.157 0.00 0.00 O ATOM 27321 C2* C A1277 241.316 149.918 26.060 0.00 0.00 C ATOM 27322 O2* C A1277 240.647 149.899 24.815 0.00 0.00 O ATOM 27323 C1* C A1277 242.708 149.344 25.799 0.00 0.00 C ATOM 27324 N1 C A1277 243.231 148.474 26.903 0.00 0.00 N ATOM 27325 C2 C A1277 242.831 147.124 26.979 0.00 0.00 C ATOM 27326 O2 C A1277 242.009 146.639 26.201 0.00 0.00 O ATOM 27327 N3 C A1277 243.370 146.297 27.921 0.00 0.00 N ATOM 27328 C4 C A1277 244.319 146.767 28.721 0.00 0.00 C ATOM 27329 N4 C A1277 244.783 145.976 29.660 0.00 0.00 N ATOM 27330 C5 C A1277 244.786 148.111 28.662 0.00 0.00 C ATOM 27331 C6 C A1277 244.198 148.938 27.764 0.00 0.00 C ATOM 27332 P G A1278 239.579 152.932 27.287 0.00 0.00 P ATOM 27333 O1P G A1278 238.675 153.890 26.611 0.00 0.00 O ATOM 27334 O2P G A1278 240.468 153.390 28.366 0.00 0.00 O ATOM 27335 O5* G A1278 238.715 151.689 27.824 0.00 0.00 O ATOM 27336 C5* G A1278 237.916 150.966 26.921 0.00 0.00 C ATOM 27337 C4* G A1278 237.103 149.803 27.494 0.00 0.00 C ATOM 27338 O4* G A1278 237.961 148.950 28.233 0.00 0.00 O ATOM 27339 C3* G A1278 235.931 150.220 28.393 0.00 0.00 C ATOM 27340 O3* G A1278 234.646 150.034 27.811 0.00 0.00 O ATOM 27341 C2* G A1278 236.114 149.318 29.628 0.00 0.00 C ATOM 27342 O2* G A1278 235.455 148.059 29.566 0.00 0.00 O ATOM 27343 C1* G A1278 237.621 149.060 29.604 0.00 0.00 C ATOM 27344 N9 G A1278 238.412 150.134 30.278 0.00 0.00 N ATOM 27345 C8 G A1278 237.999 151.305 30.873 0.00 0.00 C ATOM 27346 N7 G A1278 238.963 152.046 31.340 0.00 0.00 N ATOM 27347 C5 G A1278 240.120 151.333 31.022 0.00 0.00 C ATOM 27348 C6 G A1278 241.512 151.610 31.266 0.00 0.00 C ATOM 27349 O6 G A1278 242.030 152.562 31.840 0.00 0.00 O ATOM 27350 N1 G A1278 242.353 150.595 30.841 0.00 0.00 N ATOM 27351 C2 G A1278 241.880 149.375 30.450 0.00 0.00 C ATOM 27352 N2 G A1278 242.656 148.334 30.569 0.00 0.00 N ATOM 27353 N3 G A1278 240.609 149.081 30.204 0.00 0.00 N ATOM 27354 C4 G A1278 239.774 150.122 30.460 0.00 0.00 C ATOM 27355 P G A1279 233.972 151.109 26.824 0.00 0.00 P ATOM 27356 O1P G A1279 234.124 152.442 27.446 0.00 0.00 O ATOM 27357 O2P G A1279 232.612 150.630 26.484 0.00 0.00 O ATOM 27358 O5* G A1279 234.885 151.031 25.498 0.00 0.00 O ATOM 27359 C5* G A1279 235.408 152.198 24.881 0.00 0.00 C ATOM 27360 C4* G A1279 236.426 151.838 23.779 0.00 0.00 C ATOM 27361 O4* G A1279 237.336 150.820 24.176 0.00 0.00 O ATOM 27362 C3* G A1279 235.749 151.403 22.488 0.00 0.00 C ATOM 27363 O3* G A1279 235.774 152.522 21.602 0.00 0.00 O ATOM 27364 C2* G A1279 236.619 150.216 21.998 0.00 0.00 C ATOM 27365 O2* G A1279 237.249 150.474 20.758 0.00 0.00 O ATOM 27366 C1* G A1279 237.595 149.885 23.152 0.00 0.00 C ATOM 27367 N9 G A1279 237.469 148.513 23.744 0.00 0.00 N ATOM 27368 C8 G A1279 238.475 147.715 24.256 0.00 0.00 C ATOM 27369 N7 G A1279 238.095 146.534 24.643 0.00 0.00 N ATOM 27370 C5 G A1279 236.727 146.526 24.379 0.00 0.00 C ATOM 27371 C6 G A1279 235.756 145.480 24.518 0.00 0.00 C ATOM 27372 O6 G A1279 235.918 144.343 24.919 0.00 0.00 O ATOM 27373 N1 G A1279 234.485 145.815 24.092 0.00 0.00 N ATOM 27374 C2 G A1279 234.177 147.050 23.611 0.00 0.00 C ATOM 27375 N2 G A1279 232.934 147.281 23.251 0.00 0.00 N ATOM 27376 N3 G A1279 235.050 148.042 23.456 0.00 0.00 N ATOM 27377 C4 G A1279 236.327 147.731 23.846 0.00 0.00 C ATOM 27378 P A A1280 234.599 153.618 21.448 0.00 0.00 P ATOM 27379 O1P A A1280 234.181 154.222 22.739 0.00 0.00 O ATOM 27380 O2P A A1280 233.585 153.071 20.521 0.00 0.00 O ATOM 27381 O5* A A1280 235.407 154.811 20.733 0.00 0.00 O ATOM 27382 C5* A A1280 235.021 155.355 19.490 0.00 0.00 C ATOM 27383 C4* A A1280 235.683 154.628 18.311 0.00 0.00 C ATOM 27384 O4* A A1280 235.053 155.132 17.139 0.00 0.00 O ATOM 27385 C3* A A1280 237.197 154.877 18.171 0.00 0.00 C ATOM 27386 O3* A A1280 237.791 153.768 17.492 0.00 0.00 O ATOM 27387 C2* A A1280 237.175 156.160 17.313 0.00 0.00 C ATOM 27388 O2* A A1280 238.345 156.364 16.536 0.00 0.00 O ATOM 27389 C1* A A1280 235.961 155.936 16.408 0.00 0.00 C ATOM 27390 N9 A A1280 235.279 157.174 15.941 0.00 0.00 N ATOM 27391 C8 A A1280 234.753 158.201 16.688 0.00 0.00 C ATOM 27392 N7 A A1280 234.116 159.105 15.994 0.00 0.00 N ATOM 27393 C5 A A1280 234.348 158.717 14.677 0.00 0.00 C ATOM 27394 C6 A A1280 234.101 159.322 13.423 0.00 0.00 C ATOM 27395 N6 A A1280 233.580 160.537 13.305 0.00 0.00 N ATOM 27396 N1 A A1280 234.468 158.712 12.283 0.00 0.00 N ATOM 27397 C2 A A1280 235.065 157.525 12.399 0.00 0.00 C ATOM 27398 N3 A A1280 235.379 156.849 13.504 0.00 0.00 N ATOM 27399 C4 A A1280 235.015 157.521 14.631 0.00 0.00 C ATOM 27400 P C A1281 239.221 153.118 17.919 0.00 0.00 P ATOM 27401 O1P C A1281 239.728 152.372 16.740 0.00 0.00 O ATOM 27402 O2P C A1281 239.053 152.360 19.184 0.00 0.00 O ATOM 27403 O5* C A1281 240.216 154.369 18.207 0.00 0.00 O ATOM 27404 C5* C A1281 241.143 154.348 19.287 0.00 0.00 C ATOM 27405 C4* C A1281 241.760 155.712 19.598 0.00 0.00 C ATOM 27406 O4* C A1281 240.756 156.636 19.985 0.00 0.00 O ATOM 27407 C3* C A1281 242.639 155.647 20.851 0.00 0.00 C ATOM 27408 O3* C A1281 243.838 154.872 20.833 0.00 0.00 O ATOM 27409 C2* C A1281 242.710 157.126 21.270 0.00 0.00 C ATOM 27410 O2* C A1281 243.660 157.909 20.572 0.00 0.00 O ATOM 27411 C1* C A1281 241.349 157.646 20.785 0.00 0.00 C ATOM 27412 N1 C A1281 240.370 158.032 21.841 0.00 0.00 N ATOM 27413 C2 C A1281 239.729 159.277 21.734 0.00 0.00 C ATOM 27414 O2 C A1281 240.178 160.149 20.993 0.00 0.00 O ATOM 27415 N3 C A1281 238.628 159.532 22.498 0.00 0.00 N ATOM 27416 C4 C A1281 238.214 158.617 23.349 0.00 0.00 C ATOM 27417 N4 C A1281 237.156 158.951 24.047 0.00 0.00 N ATOM 27418 C5 C A1281 238.910 157.399 23.596 0.00 0.00 C ATOM 27419 C6 C A1281 239.987 157.141 22.815 0.00 0.00 C ATOM 27420 P C A1282 244.966 154.887 19.676 0.00 0.00 P ATOM 27421 O1P C A1282 245.938 155.967 19.934 0.00 0.00 O ATOM 27422 O2P C A1282 244.344 154.742 18.344 0.00 0.00 O ATOM 27423 O5* C A1282 245.715 153.498 19.997 0.00 0.00 O ATOM 27424 C5* C A1282 246.605 153.399 21.096 0.00 0.00 C ATOM 27425 C4* C A1282 246.498 152.052 21.810 0.00 0.00 C ATOM 27426 O4* C A1282 245.310 151.894 22.587 0.00 0.00 O ATOM 27427 C3* C A1282 246.538 150.857 20.867 0.00 0.00 C ATOM 27428 O3* C A1282 247.830 150.671 20.315 0.00 0.00 O ATOM 27429 C2* C A1282 246.091 149.786 21.864 0.00 0.00 C ATOM 27430 O2* C A1282 247.135 149.527 22.801 0.00 0.00 O ATOM 27431 C1* C A1282 244.928 150.516 22.558 0.00 0.00 C ATOM 27432 N1 C A1282 243.613 150.316 21.855 0.00 0.00 N ATOM 27433 C2 C A1282 242.890 149.132 22.085 0.00 0.00 C ATOM 27434 O2 C A1282 243.368 148.226 22.767 0.00 0.00 O ATOM 27435 N3 C A1282 241.654 148.941 21.541 0.00 0.00 N ATOM 27436 C4 C A1282 241.161 149.892 20.759 0.00 0.00 C ATOM 27437 N4 C A1282 239.959 149.738 20.262 0.00 0.00 N ATOM 27438 C5 C A1282 241.880 151.069 20.426 0.00 0.00 C ATOM 27439 C6 C A1282 243.090 151.261 21.003 0.00 0.00 C ATOM 27440 P U A1283 248.029 149.922 18.925 0.00 0.00 P ATOM 27441 O1P U A1283 249.483 149.813 18.728 0.00 0.00 O ATOM 27442 O2P U A1283 247.261 150.747 17.956 0.00 0.00 O ATOM 27443 O5* U A1283 247.362 148.462 19.149 0.00 0.00 O ATOM 27444 C5* U A1283 247.979 147.501 20.009 0.00 0.00 C ATOM 27445 C4* U A1283 247.151 146.219 20.212 0.00 0.00 C ATOM 27446 O4* U A1283 245.903 146.480 20.852 0.00 0.00 O ATOM 27447 C3* U A1283 246.817 145.480 18.921 0.00 0.00 C ATOM 27448 O3* U A1283 247.926 144.763 18.393 0.00 0.00 O ATOM 27449 C2* U A1283 245.647 144.616 19.413 0.00 0.00 C ATOM 27450 O2* U A1283 246.011 143.532 20.247 0.00 0.00 O ATOM 27451 C1* U A1283 244.914 145.584 20.340 0.00 0.00 C ATOM 27452 N1 U A1283 243.821 146.283 19.609 0.00 0.00 N ATOM 27453 C2 U A1283 242.635 145.575 19.360 0.00 0.00 C ATOM 27454 O2 U A1283 242.466 144.399 19.697 0.00 0.00 O ATOM 27455 N3 U A1283 241.640 146.255 18.678 0.00 0.00 N ATOM 27456 C4 U A1283 241.726 147.545 18.193 0.00 0.00 C ATOM 27457 O4 U A1283 240.779 148.032 17.583 0.00 0.00 O ATOM 27458 C5 U A1283 242.991 148.201 18.467 0.00 0.00 C ATOM 27459 C6 U A1283 243.981 147.571 19.150 0.00 0.00 C ATOM 27460 P C A1284 248.010 144.342 16.848 0.00 0.00 P ATOM 27461 O1P C A1284 249.374 143.859 16.546 0.00 0.00 O ATOM 27462 O2P C A1284 247.544 145.480 16.030 0.00 0.00 O ATOM 27463 O5* C A1284 247.001 143.121 16.653 0.00 0.00 O ATOM 27464 C5* C A1284 247.052 141.966 17.464 0.00 0.00 C ATOM 27465 C4* C A1284 245.775 141.126 17.274 0.00 0.00 C ATOM 27466 O4* C A1284 244.627 141.802 17.759 0.00 0.00 O ATOM 27467 C3* C A1284 245.494 140.757 15.826 0.00 0.00 C ATOM 27468 O3* C A1284 246.372 139.690 15.513 0.00 0.00 O ATOM 27469 C2* C A1284 243.982 140.453 15.885 0.00 0.00 C ATOM 27470 O2* C A1284 243.662 139.139 16.317 0.00 0.00 O ATOM 27471 C1* C A1284 243.512 141.492 16.926 0.00 0.00 C ATOM 27472 N1 C A1284 243.005 142.753 16.299 0.00 0.00 N ATOM 27473 C2 C A1284 241.630 142.898 16.040 0.00 0.00 C ATOM 27474 O2 C A1284 240.826 141.989 16.262 0.00 0.00 O ATOM 27475 N3 C A1284 241.160 144.070 15.522 0.00 0.00 N ATOM 27476 C4 C A1284 242.017 145.046 15.242 0.00 0.00 C ATOM 27477 N4 C A1284 241.541 146.137 14.693 0.00 0.00 N ATOM 27478 C5 C A1284 243.416 144.950 15.480 0.00 0.00 C ATOM 27479 C6 C A1284 243.866 143.789 16.006 0.00 0.00 C ATOM 27480 P A A1285 247.248 139.649 14.194 0.00 0.00 P ATOM 27481 O1P A A1285 246.342 139.267 13.094 0.00 0.00 O ATOM 27482 O2P A A1285 248.419 138.813 14.528 0.00 0.00 O ATOM 27483 O5* A A1285 247.858 141.119 13.987 0.00 0.00 O ATOM 27484 C5* A A1285 248.496 141.477 12.763 0.00 0.00 C ATOM 27485 C4* A A1285 247.776 142.639 12.067 0.00 0.00 C ATOM 27486 O4* A A1285 246.437 142.266 11.840 0.00 0.00 O ATOM 27487 C3* A A1285 247.694 143.910 12.921 0.00 0.00 C ATOM 27488 O3* A A1285 248.886 144.708 13.050 0.00 0.00 O ATOM 27489 C2* A A1285 246.352 144.551 12.514 0.00 0.00 C ATOM 27490 O2* A A1285 246.426 145.632 11.612 0.00 0.00 O ATOM 27491 C1* A A1285 245.641 143.432 11.746 0.00 0.00 C ATOM 27492 N9 A A1285 244.277 143.104 12.213 0.00 0.00 N ATOM 27493 C8 A A1285 243.878 141.965 12.859 0.00 0.00 C ATOM 27494 N7 A A1285 242.591 141.864 13.044 0.00 0.00 N ATOM 27495 C5 A A1285 242.091 143.000 12.411 0.00 0.00 C ATOM 27496 C6 A A1285 240.789 143.473 12.128 0.00 0.00 C ATOM 27497 N6 A A1285 239.678 142.843 12.472 0.00 0.00 N ATOM 27498 N1 A A1285 240.613 144.599 11.425 0.00 0.00 N ATOM 27499 C2 A A1285 241.702 145.236 11.007 0.00 0.00 C ATOM 27500 N3 A A1285 242.983 144.916 11.184 0.00 0.00 N ATOM 27501 C4 A A1285 243.111 143.764 11.901 0.00 0.00 C ATOM 27502 P U A1286 249.747 145.406 11.856 0.00 0.00 P ATOM 27503 O1P U A1286 251.121 145.475 12.405 0.00 0.00 O ATOM 27504 O2P U A1286 249.115 146.660 11.417 0.00 0.00 O ATOM 27505 O5* U A1286 249.777 144.413 10.601 0.00 0.00 O ATOM 27506 C5* U A1286 250.957 143.755 10.200 0.00 0.00 C ATOM 27507 C4* U A1286 250.676 142.781 9.065 0.00 0.00 C ATOM 27508 O4* U A1286 249.988 141.616 9.539 0.00 0.00 O ATOM 27509 C3* U A1286 249.789 143.307 7.939 0.00 0.00 C ATOM 27510 O3* U A1286 250.275 144.405 7.176 0.00 0.00 O ATOM 27511 C2* U A1286 249.554 141.928 7.263 0.00 0.00 C ATOM 27512 O2* U A1286 250.722 141.347 6.706 0.00 0.00 O ATOM 27513 C1* U A1286 249.194 141.079 8.480 0.00 0.00 C ATOM 27514 N1 U A1286 247.733 140.950 8.837 0.00 0.00 N ATOM 27515 C2 U A1286 247.270 139.649 9.095 0.00 0.00 C ATOM 27516 O2 U A1286 248.015 138.673 9.163 0.00 0.00 O ATOM 27517 N3 U A1286 245.910 139.470 9.274 0.00 0.00 N ATOM 27518 C4 U A1286 244.959 140.461 9.185 0.00 0.00 C ATOM 27519 O4 U A1286 243.777 140.190 9.307 0.00 0.00 O ATOM 27520 C5 U A1286 245.493 141.785 8.964 0.00 0.00 C ATOM 27521 C6 U A1286 246.829 142.002 8.849 0.00 0.00 C ATOM 27522 P A A1287 249.665 144.831 5.729 0.00 0.00 P ATOM 27523 O1P A A1287 250.077 143.748 4.825 0.00 0.00 O ATOM 27524 O2P A A1287 250.136 146.215 5.498 0.00 0.00 O ATOM 27525 O5* A A1287 248.019 144.967 5.724 0.00 0.00 O ATOM 27526 C5* A A1287 247.118 143.964 6.196 0.00 0.00 C ATOM 27527 C4* A A1287 246.373 143.016 5.229 0.00 0.00 C ATOM 27528 O4* A A1287 245.110 143.550 4.848 0.00 0.00 O ATOM 27529 C3* A A1287 246.965 142.534 3.900 0.00 0.00 C ATOM 27530 O3* A A1287 248.065 141.648 4.031 0.00 0.00 O ATOM 27531 C2* A A1287 245.710 141.819 3.359 0.00 0.00 C ATOM 27532 O2* A A1287 245.539 140.557 3.995 0.00 0.00 O ATOM 27533 C1* A A1287 244.545 142.674 3.873 0.00 0.00 C ATOM 27534 N9 A A1287 243.811 143.451 2.843 0.00 0.00 N ATOM 27535 C8 A A1287 243.958 144.784 2.553 0.00 0.00 C ATOM 27536 N7 A A1287 243.033 145.280 1.782 0.00 0.00 N ATOM 27537 C5 A A1287 242.216 144.179 1.514 0.00 0.00 C ATOM 27538 C6 A A1287 241.037 144.006 0.752 0.00 0.00 C ATOM 27539 N6 A A1287 240.438 144.982 0.083 0.00 0.00 N ATOM 27540 N1 A A1287 240.477 142.795 0.637 0.00 0.00 N ATOM 27541 C2 A A1287 241.060 141.784 1.278 0.00 0.00 C ATOM 27542 N3 A A1287 242.156 141.791 2.044 0.00 0.00 N ATOM 27543 C4 A A1287 242.699 143.046 2.123 0.00 0.00 C ATOM 27544 P A A1288 249.018 141.305 2.773 0.00 0.00 P ATOM 27545 O1P A A1288 250.154 140.500 3.286 0.00 0.00 O ATOM 27546 O2P A A1288 249.247 142.545 2.000 0.00 0.00 O ATOM 27547 O5* A A1288 248.114 140.382 1.822 0.00 0.00 O ATOM 27548 C5* A A1288 248.131 138.971 1.866 0.00 0.00 C ATOM 27549 C4* A A1288 247.179 138.460 0.787 0.00 0.00 C ATOM 27550 O4* A A1288 245.884 139.032 0.980 0.00 0.00 O ATOM 27551 C3* A A1288 247.588 138.811 -0.650 0.00 0.00 C ATOM 27552 O3* A A1288 248.562 137.965 -1.235 0.00 0.00 O ATOM 27553 C2* A A1288 246.231 138.606 -1.310 0.00 0.00 C ATOM 27554 O2* A A1288 245.961 137.217 -1.417 0.00 0.00 O ATOM 27555 C1* A A1288 245.272 139.209 -0.287 0.00 0.00 C ATOM 27556 N9 A A1288 245.017 140.645 -0.547 0.00 0.00 N ATOM 27557 C8 A A1288 245.783 141.738 -0.216 0.00 0.00 C ATOM 27558 N7 A A1288 245.222 142.891 -0.460 0.00 0.00 N ATOM 27559 C5 A A1288 244.023 142.523 -1.088 0.00 0.00 C ATOM 27560 C6 A A1288 242.957 143.237 -1.682 0.00 0.00 C ATOM 27561 N6 A A1288 242.854 144.553 -1.745 0.00 0.00 N ATOM 27562 N1 A A1288 241.945 142.588 -2.263 0.00 0.00 N ATOM 27563 C2 A A1288 241.954 141.263 -2.250 0.00 0.00 C ATOM 27564 N3 A A1288 242.877 140.445 -1.734 0.00 0.00 N ATOM 27565 C4 A A1288 243.899 141.156 -1.163 0.00 0.00 C ATOM 27566 P A A1289 249.304 138.390 -2.598 0.00 0.00 P ATOM 27567 O1P A A1289 250.166 137.253 -2.990 0.00 0.00 O ATOM 27568 O2P A A1289 249.893 139.715 -2.339 0.00 0.00 O ATOM 27569 O5* A A1289 248.136 138.583 -3.717 0.00 0.00 O ATOM 27570 C5* A A1289 247.588 137.485 -4.433 0.00 0.00 C ATOM 27571 C4* A A1289 246.376 137.894 -5.291 0.00 0.00 C ATOM 27572 O4* A A1289 245.374 138.519 -4.492 0.00 0.00 O ATOM 27573 C3* A A1289 246.678 138.872 -6.425 0.00 0.00 C ATOM 27574 O3* A A1289 247.123 138.268 -7.624 0.00 0.00 O ATOM 27575 C2* A A1289 245.290 139.484 -6.658 0.00 0.00 C ATOM 27576 O2* A A1289 244.414 138.677 -7.445 0.00 0.00 O ATOM 27577 C1* A A1289 244.733 139.542 -5.240 0.00 0.00 C ATOM 27578 N9 A A1289 244.978 140.896 -4.690 0.00 0.00 N ATOM 27579 C8 A A1289 246.051 141.376 -3.976 0.00 0.00 C ATOM 27580 N7 A A1289 246.006 142.662 -3.747 0.00 0.00 N ATOM 27581 C5 A A1289 244.819 143.065 -4.372 0.00 0.00 C ATOM 27582 C6 A A1289 244.139 144.301 -4.523 0.00 0.00 C ATOM 27583 N6 A A1289 244.575 145.446 -4.017 0.00 0.00 N ATOM 27584 N1 A A1289 242.956 144.358 -5.159 0.00 0.00 N ATOM 27585 C2 A A1289 242.484 143.227 -5.681 0.00 0.00 C ATOM 27586 N3 A A1289 243.005 142.002 -5.625 0.00 0.00 N ATOM 27587 C4 A A1289 244.184 141.991 -4.937 0.00 0.00 C ATOM 27588 P G A1290 248.352 138.854 -8.464 0.00 0.00 P ATOM 27589 O1P G A1290 248.086 138.423 -9.856 0.00 0.00 O ATOM 27590 O2P G A1290 249.582 138.434 -7.774 0.00 0.00 O ATOM 27591 O5* G A1290 248.224 140.468 -8.347 0.00 0.00 O ATOM 27592 C5* G A1290 247.311 141.237 -9.115 0.00 0.00 C ATOM 27593 C4* G A1290 247.318 142.717 -8.680 0.00 0.00 C ATOM 27594 O4* G A1290 247.143 142.860 -7.270 0.00 0.00 O ATOM 27595 C3* G A1290 248.581 143.494 -9.055 0.00 0.00 C ATOM 27596 O3* G A1290 248.535 143.957 -10.398 0.00 0.00 O ATOM 27597 C2* G A1290 248.495 144.650 -8.047 0.00 0.00 C ATOM 27598 O2* G A1290 247.556 145.657 -8.403 0.00 0.00 O ATOM 27599 C1* G A1290 247.906 143.978 -6.806 0.00 0.00 C ATOM 27600 N9 G A1290 248.946 143.551 -5.834 0.00 0.00 N ATOM 27601 C8 G A1290 249.192 142.287 -5.368 0.00 0.00 C ATOM 27602 N7 G A1290 250.123 142.227 -4.459 0.00 0.00 N ATOM 27603 C5 G A1290 250.553 143.542 -4.306 0.00 0.00 C ATOM 27604 C6 G A1290 251.585 144.123 -3.480 0.00 0.00 C ATOM 27605 O6 G A1290 252.348 143.622 -2.656 0.00 0.00 O ATOM 27606 N1 G A1290 251.746 145.476 -3.689 0.00 0.00 N ATOM 27607 C2 G A1290 250.988 146.207 -4.548 0.00 0.00 C ATOM 27608 N2 G A1290 251.290 147.483 -4.648 0.00 0.00 N ATOM 27609 N3 G A1290 250.006 145.716 -5.306 0.00 0.00 N ATOM 27610 C4 G A1290 249.837 144.365 -5.154 0.00 0.00 C ATOM 27611 P U A1291 249.806 143.911 -11.381 0.00 0.00 P ATOM 27612 O1P U A1291 249.346 144.442 -12.690 0.00 0.00 O ATOM 27613 O2P U A1291 250.400 142.565 -11.286 0.00 0.00 O ATOM 27614 O5* U A1291 250.866 144.946 -10.745 0.00 0.00 O ATOM 27615 C5* U A1291 250.819 146.324 -11.053 0.00 0.00 C ATOM 27616 C4* U A1291 251.812 147.166 -10.234 0.00 0.00 C ATOM 27617 O4* U A1291 251.469 147.075 -8.850 0.00 0.00 O ATOM 27618 C3* U A1291 253.297 146.790 -10.351 0.00 0.00 C ATOM 27619 O3* U A1291 254.014 147.272 -11.492 0.00 0.00 O ATOM 27620 C2* U A1291 253.796 147.392 -9.027 0.00 0.00 C ATOM 27621 O2* U A1291 253.947 148.805 -9.020 0.00 0.00 O ATOM 27622 C1* U A1291 252.660 147.062 -8.072 0.00 0.00 C ATOM 27623 N1 U A1291 252.921 145.753 -7.408 0.00 0.00 N ATOM 27624 C2 U A1291 253.906 145.716 -6.414 0.00 0.00 C ATOM 27625 O2 U A1291 254.571 146.696 -6.079 0.00 0.00 O ATOM 27626 N3 U A1291 254.109 144.505 -5.787 0.00 0.00 N ATOM 27627 C4 U A1291 253.439 143.333 -6.037 0.00 0.00 C ATOM 27628 O4 U A1291 253.687 142.346 -5.355 0.00 0.00 O ATOM 27629 C5 U A1291 252.454 143.436 -7.094 0.00 0.00 C ATOM 27630 C6 U A1291 252.230 144.608 -7.745 0.00 0.00 C ATOM 27631 P G A1292 255.516 146.792 -11.767 0.00 0.00 P ATOM 27632 O1P G A1292 256.119 147.414 -12.945 0.00 0.00 O ATOM 27633 O2P G A1292 255.528 145.323 -11.682 0.00 0.00 O ATOM 27634 O5* G A1292 256.204 147.484 -10.534 0.00 0.00 O ATOM 27635 C5* G A1292 256.983 148.662 -10.656 0.00 0.00 C ATOM 27636 C4* G A1292 258.285 148.283 -9.989 0.00 0.00 C ATOM 27637 O4* G A1292 257.937 147.926 -8.658 0.00 0.00 O ATOM 27638 C3* G A1292 258.961 147.067 -10.647 0.00 0.00 C ATOM 27639 O3* G A1292 259.782 147.383 -11.762 0.00 0.00 O ATOM 27640 C2* G A1292 259.681 146.520 -9.422 0.00 0.00 C ATOM 27641 O2* G A1292 260.806 147.286 -9.014 0.00 0.00 O ATOM 27642 C1* G A1292 258.607 146.725 -8.358 0.00 0.00 C ATOM 27643 N9 G A1292 257.761 145.508 -8.170 0.00 0.00 N ATOM 27644 C8 G A1292 256.606 144.998 -8.730 0.00 0.00 C ATOM 27645 N7 G A1292 256.226 143.850 -8.220 0.00 0.00 N ATOM 27646 C5 G A1292 257.207 143.555 -7.267 0.00 0.00 C ATOM 27647 C6 G A1292 257.419 142.455 -6.352 0.00 0.00 C ATOM 27648 O6 G A1292 256.743 141.449 -6.136 0.00 0.00 O ATOM 27649 N1 G A1292 258.592 142.587 -5.617 0.00 0.00 N ATOM 27650 C2 G A1292 259.438 143.655 -5.723 0.00 0.00 C ATOM 27651 N2 G A1292 260.514 143.768 -4.999 0.00 0.00 N ATOM 27652 N3 G A1292 259.263 144.675 -6.527 0.00 0.00 N ATOM 27653 C4 G A1292 258.139 144.565 -7.271 0.00 0.00 C ATOM 27654 P C A1293 260.235 146.246 -12.814 0.00 0.00 P ATOM 27655 O1P C A1293 260.989 146.898 -13.904 0.00 0.00 O ATOM 27656 O2P C A1293 259.068 145.389 -13.134 0.00 0.00 O ATOM 27657 O5* C A1293 261.269 145.392 -11.920 0.00 0.00 O ATOM 27658 C5* C A1293 262.518 145.931 -11.520 0.00 0.00 C ATOM 27659 C4* C A1293 263.236 145.037 -10.494 0.00 0.00 C ATOM 27660 O4* C A1293 262.492 144.854 -9.281 0.00 0.00 O ATOM 27661 C3* C A1293 263.536 143.633 -11.006 0.00 0.00 C ATOM 27662 O3* C A1293 264.615 143.559 -11.917 0.00 0.00 O ATOM 27663 C2* C A1293 263.806 142.926 -9.673 0.00 0.00 C ATOM 27664 O2* C A1293 265.047 143.277 -9.073 0.00 0.00 O ATOM 27665 C1* C A1293 262.712 143.522 -8.790 0.00 0.00 C ATOM 27666 N1 C A1293 261.476 142.679 -8.835 0.00 0.00 N ATOM 27667 C2 C A1293 261.326 141.603 -7.937 0.00 0.00 C ATOM 27668 O2 C A1293 262.227 141.271 -7.160 0.00 0.00 O ATOM 27669 N3 C A1293 260.165 140.892 -7.919 0.00 0.00 N ATOM 27670 C4 C A1293 259.205 141.195 -8.792 0.00 0.00 C ATOM 27671 N4 C A1293 258.068 140.545 -8.726 0.00 0.00 N ATOM 27672 C5 C A1293 259.330 142.246 -9.742 0.00 0.00 C ATOM 27673 C6 C A1293 260.484 142.947 -9.745 0.00 0.00 C ATOM 27674 P G A1294 264.753 142.298 -12.903 0.00 0.00 P ATOM 27675 O1P G A1294 265.948 142.504 -13.747 0.00 0.00 O ATOM 27676 O2P G A1294 263.432 142.055 -13.517 0.00 0.00 O ATOM 27677 O5* G A1294 265.049 141.095 -11.874 0.00 0.00 O ATOM 27678 C5* G A1294 266.305 140.978 -11.235 0.00 0.00 C ATOM 27679 C4* G A1294 266.318 139.814 -10.239 0.00 0.00 C ATOM 27680 O4* G A1294 265.315 139.951 -9.233 0.00 0.00 O ATOM 27681 C3* G A1294 266.077 138.454 -10.883 0.00 0.00 C ATOM 27682 O3* G A1294 267.197 137.967 -11.602 0.00 0.00 O ATOM 27683 C2* G A1294 265.739 137.643 -9.629 0.00 0.00 C ATOM 27684 O2* G A1294 266.857 137.324 -8.814 0.00 0.00 O ATOM 27685 C1* G A1294 264.905 138.644 -8.835 0.00 0.00 C ATOM 27686 N9 G A1294 263.467 138.400 -9.084 0.00 0.00 N ATOM 27687 C8 G A1294 262.608 139.022 -9.952 0.00 0.00 C ATOM 27688 N7 G A1294 261.399 138.530 -9.943 0.00 0.00 N ATOM 27689 C5 G A1294 261.458 137.489 -9.015 0.00 0.00 C ATOM 27690 C6 G A1294 260.470 136.540 -8.574 0.00 0.00 C ATOM 27691 O6 G A1294 259.287 136.426 -8.890 0.00 0.00 O ATOM 27692 N1 G A1294 260.975 135.616 -7.673 0.00 0.00 N ATOM 27693 C2 G A1294 262.268 135.604 -7.231 0.00 0.00 C ATOM 27694 N2 G A1294 262.626 134.664 -6.387 0.00 0.00 N ATOM 27695 N3 G A1294 263.202 136.470 -7.611 0.00 0.00 N ATOM 27696 C4 G A1294 262.735 137.393 -8.504 0.00 0.00 C ATOM 27697 P U A1295 267.033 136.817 -12.715 0.00 0.00 P ATOM 27698 O1P U A1295 268.340 136.617 -13.372 0.00 0.00 O ATOM 27699 O2P U A1295 265.828 137.132 -13.511 0.00 0.00 O ATOM 27700 O5* U A1295 266.679 135.514 -11.844 0.00 0.00 O ATOM 27701 C5* U A1295 267.606 134.831 -11.028 0.00 0.00 C ATOM 27702 C4* U A1295 266.880 133.739 -10.213 0.00 0.00 C ATOM 27703 O4* U A1295 265.783 134.261 -9.449 0.00 0.00 O ATOM 27704 C3* U A1295 266.288 132.619 -11.067 0.00 0.00 C ATOM 27705 O3* U A1295 267.262 131.676 -11.503 0.00 0.00 O ATOM 27706 C2* U A1295 265.227 132.046 -10.109 0.00 0.00 C ATOM 27707 O2* U A1295 265.760 131.192 -9.094 0.00 0.00 O ATOM 27708 C1* U A1295 264.685 133.336 -9.471 0.00 0.00 C ATOM 27709 N1 U A1295 263.479 133.855 -10.198 0.00 0.00 N ATOM 27710 C2 U A1295 262.212 133.317 -9.891 0.00 0.00 C ATOM 27711 O2 U A1295 262.040 132.317 -9.191 0.00 0.00 O ATOM 27712 N3 U A1295 261.107 133.960 -10.434 0.00 0.00 N ATOM 27713 C4 U A1295 261.153 134.981 -11.359 0.00 0.00 C ATOM 27714 O4 U A1295 260.125 135.441 -11.823 0.00 0.00 O ATOM 27715 C5 U A1295 262.484 135.426 -11.689 0.00 0.00 C ATOM 27716 C6 U A1295 263.583 134.879 -11.116 0.00 0.00 C ATOM 27717 P C A1296 267.209 131.076 -12.999 0.00 0.00 P ATOM 27718 O1P C A1296 268.384 130.189 -13.177 0.00 0.00 O ATOM 27719 O2P C A1296 266.936 132.174 -13.942 0.00 0.00 O ATOM 27720 O5* C A1296 265.893 130.168 -12.876 0.00 0.00 O ATOM 27721 C5* C A1296 265.868 129.085 -11.974 0.00 0.00 C ATOM 27722 C4* C A1296 264.518 128.368 -11.957 0.00 0.00 C ATOM 27723 O4* C A1296 263.480 129.215 -11.481 0.00 0.00 O ATOM 27724 C3* C A1296 264.118 127.830 -13.319 0.00 0.00 C ATOM 27725 O3* C A1296 264.750 126.575 -13.533 0.00 0.00 O ATOM 27726 C2* C A1296 262.596 127.734 -13.121 0.00 0.00 C ATOM 27727 O2* C A1296 262.199 126.558 -12.423 0.00 0.00 O ATOM 27728 C1* C A1296 262.281 128.900 -12.173 0.00 0.00 C ATOM 27729 N1 C A1296 261.739 130.114 -12.851 0.00 0.00 N ATOM 27730 C2 C A1296 260.349 130.256 -12.971 0.00 0.00 C ATOM 27731 O2 C A1296 259.584 129.368 -12.597 0.00 0.00 O ATOM 27732 N3 C A1296 259.818 131.403 -13.470 0.00 0.00 N ATOM 27733 C4 C A1296 260.633 132.373 -13.868 0.00 0.00 C ATOM 27734 N4 C A1296 260.093 133.443 -14.393 0.00 0.00 N ATOM 27735 C5 C A1296 262.048 132.285 -13.748 0.00 0.00 C ATOM 27736 C6 C A1296 262.564 131.141 -13.241 0.00 0.00 C ATOM 27737 P G A1297 265.743 126.293 -14.764 0.00 0.00 P ATOM 27738 O1P G A1297 266.252 124.911 -14.628 0.00 0.00 O ATOM 27739 O2P G A1297 266.724 127.396 -14.867 0.00 0.00 O ATOM 27740 O5* G A1297 264.695 126.356 -15.993 0.00 0.00 O ATOM 27741 C5* G A1297 263.699 125.350 -16.110 0.00 0.00 C ATOM 27742 C4* G A1297 262.633 125.627 -17.182 0.00 0.00 C ATOM 27743 O4* G A1297 261.947 126.854 -16.933 0.00 0.00 O ATOM 27744 C3* G A1297 263.187 125.672 -18.607 0.00 0.00 C ATOM 27745 O3* G A1297 262.233 125.042 -19.446 0.00 0.00 O ATOM 27746 C2* G A1297 263.309 127.176 -18.847 0.00 0.00 C ATOM 27747 O2* G A1297 263.243 127.568 -20.210 0.00 0.00 O ATOM 27748 C1* G A1297 262.125 127.717 -18.053 0.00 0.00 C ATOM 27749 N9 G A1297 262.359 129.109 -17.608 0.00 0.00 N ATOM 27750 C8 G A1297 263.303 129.557 -16.721 0.00 0.00 C ATOM 27751 N7 G A1297 263.258 130.840 -16.499 0.00 0.00 N ATOM 27752 C5 G A1297 262.217 131.294 -17.313 0.00 0.00 C ATOM 27753 C6 G A1297 261.665 132.611 -17.511 0.00 0.00 C ATOM 27754 O6 G A1297 261.951 133.672 -16.965 0.00 0.00 O ATOM 27755 N1 G A1297 260.654 132.655 -18.461 0.00 0.00 N ATOM 27756 C2 G A1297 260.191 131.543 -19.112 0.00 0.00 C ATOM 27757 N2 G A1297 259.182 131.689 -19.944 0.00 0.00 N ATOM 27758 N3 G A1297 260.665 130.305 -18.936 0.00 0.00 N ATOM 27759 C4 G A1297 261.682 130.239 -18.022 0.00 0.00 C ATOM 27760 P U A1298 262.672 123.806 -20.369 0.00 0.00 P ATOM 27761 O1P U A1298 263.674 122.999 -19.643 0.00 0.00 O ATOM 27762 O2P U A1298 262.933 124.314 -21.731 0.00 0.00 O ATOM 27763 O5* U A1298 261.320 122.971 -20.422 0.00 0.00 O ATOM 27764 C5* U A1298 260.919 122.076 -19.402 0.00 0.00 C ATOM 27765 C4* U A1298 259.387 121.971 -19.400 0.00 0.00 C ATOM 27766 O4* U A1298 258.845 123.111 -18.722 0.00 0.00 O ATOM 27767 C3* U A1298 258.811 121.972 -20.833 0.00 0.00 C ATOM 27768 O3* U A1298 257.665 121.138 -20.919 0.00 0.00 O ATOM 27769 C2* U A1298 258.469 123.467 -20.948 0.00 0.00 C ATOM 27770 O2* U A1298 257.643 123.868 -22.024 0.00 0.00 O ATOM 27771 C1* U A1298 257.865 123.682 -19.567 0.00 0.00 C ATOM 27772 N1 U A1298 257.572 125.117 -19.312 0.00 0.00 N ATOM 27773 C2 U A1298 256.279 125.570 -19.596 0.00 0.00 C ATOM 27774 O2 U A1298 255.378 124.834 -19.984 0.00 0.00 O ATOM 27775 N3 U A1298 256.042 126.928 -19.489 0.00 0.00 N ATOM 27776 C4 U A1298 256.996 127.879 -19.206 0.00 0.00 C ATOM 27777 O4 U A1298 256.701 129.067 -19.273 0.00 0.00 O ATOM 27778 C5 U A1298 258.311 127.338 -18.903 0.00 0.00 C ATOM 27779 C6 U A1298 258.565 126.003 -18.965 0.00 0.00 C ATOM 27780 P A A1299 257.814 119.551 -21.213 0.00 0.00 P ATOM 27781 O1P A A1299 258.817 119.395 -22.289 0.00 0.00 O ATOM 27782 O2P A A1299 256.459 118.997 -21.395 0.00 0.00 O ATOM 27783 O5* A A1299 258.434 118.945 -19.851 0.00 0.00 O ATOM 27784 C5* A A1299 259.686 118.267 -19.827 0.00 0.00 C ATOM 27785 C4* A A1299 260.175 118.037 -18.392 0.00 0.00 C ATOM 27786 O4* A A1299 260.473 119.286 -17.807 0.00 0.00 O ATOM 27787 C3* A A1299 259.172 117.328 -17.488 0.00 0.00 C ATOM 27788 O3* A A1299 259.341 115.925 -17.651 0.00 0.00 O ATOM 27789 C2* A A1299 259.504 117.915 -16.100 0.00 0.00 C ATOM 27790 O2* A A1299 260.442 117.162 -15.340 0.00 0.00 O ATOM 27791 C1* A A1299 260.260 119.212 -16.417 0.00 0.00 C ATOM 27792 N9 A A1299 259.656 120.500 -16.002 0.00 0.00 N ATOM 27793 C8 A A1299 260.341 121.567 -15.474 0.00 0.00 C ATOM 27794 N7 A A1299 259.630 122.644 -15.298 0.00 0.00 N ATOM 27795 C5 A A1299 258.374 122.262 -15.772 0.00 0.00 C ATOM 27796 C6 A A1299 257.143 122.939 -15.892 0.00 0.00 C ATOM 27797 N6 A A1299 256.950 124.160 -15.423 0.00 0.00 N ATOM 27798 N1 A A1299 256.077 122.327 -16.410 0.00 0.00 N ATOM 27799 C2 A A1299 256.203 121.055 -16.774 0.00 0.00 C ATOM 27800 N3 A A1299 257.290 120.288 -16.693 0.00 0.00 N ATOM 27801 C4 A A1299 258.366 120.958 -16.194 0.00 0.00 C ATOM 27802 P G A1300 258.323 114.860 -17.017 0.00 0.00 P ATOM 27803 O1P G A1300 258.314 113.656 -17.872 0.00 0.00 O ATOM 27804 O2P G A1300 257.064 115.573 -16.719 0.00 0.00 O ATOM 27805 O5* G A1300 259.078 114.480 -15.637 0.00 0.00 O ATOM 27806 C5* G A1300 258.454 113.744 -14.597 0.00 0.00 C ATOM 27807 C4* G A1300 257.567 114.673 -13.779 0.00 0.00 C ATOM 27808 O4* G A1300 256.227 114.452 -14.162 0.00 0.00 O ATOM 27809 C3* G A1300 257.565 114.492 -12.258 0.00 0.00 C ATOM 27810 O3* G A1300 258.772 115.005 -11.689 0.00 0.00 O ATOM 27811 C2* G A1300 256.252 115.230 -11.970 0.00 0.00 C ATOM 27812 O2* G A1300 256.446 116.602 -11.881 0.00 0.00 O ATOM 27813 C1* G A1300 255.435 115.147 -13.242 0.00 0.00 C ATOM 27814 N9 G A1300 254.119 114.529 -13.076 0.00 0.00 N ATOM 27815 C8 G A1300 253.784 113.211 -12.963 0.00 0.00 C ATOM 27816 N7 G A1300 252.499 112.990 -13.043 0.00 0.00 N ATOM 27817 C5 G A1300 251.939 114.266 -13.165 0.00 0.00 C ATOM 27818 C6 G A1300 250.579 114.726 -13.292 0.00 0.00 C ATOM 27819 O6 G A1300 249.530 114.094 -13.354 0.00 0.00 O ATOM 27820 N1 G A1300 250.467 116.107 -13.342 0.00 0.00 N ATOM 27821 C2 G A1300 251.543 116.950 -13.330 0.00 0.00 C ATOM 27822 N2 G A1300 251.323 118.233 -13.427 0.00 0.00 N ATOM 27823 N3 G A1300 252.808 116.562 -13.249 0.00 0.00 N ATOM 27824 C4 G A1300 252.938 115.210 -13.156 0.00 0.00 C ATOM 27825 P U A1301 258.932 115.719 -10.235 0.00 0.00 P ATOM 27826 O1P U A1301 260.107 115.133 -9.558 0.00 0.00 O ATOM 27827 O2P U A1301 257.626 115.856 -9.534 0.00 0.00 O ATOM 27828 O5* U A1301 259.318 117.193 -10.750 0.00 0.00 O ATOM 27829 C5* U A1301 260.587 117.482 -11.323 0.00 0.00 C ATOM 27830 C4* U A1301 260.688 118.966 -11.715 0.00 0.00 C ATOM 27831 O4* U A1301 259.780 119.296 -12.751 0.00 0.00 O ATOM 27832 C3* U A1301 260.387 119.861 -10.516 0.00 0.00 C ATOM 27833 O3* U A1301 261.582 120.140 -9.809 0.00 0.00 O ATOM 27834 C2* U A1301 259.461 120.969 -11.039 0.00 0.00 C ATOM 27835 O2* U A1301 259.928 122.292 -11.119 0.00 0.00 O ATOM 27836 C1* U A1301 259.191 120.562 -12.483 0.00 0.00 C ATOM 27837 N1 U A1301 257.727 120.554 -12.717 0.00 0.00 N ATOM 27838 C2 U A1301 257.049 121.771 -12.837 0.00 0.00 C ATOM 27839 O2 U A1301 257.596 122.873 -12.720 0.00 0.00 O ATOM 27840 N3 U A1301 255.692 121.683 -13.081 0.00 0.00 N ATOM 27841 C4 U A1301 254.926 120.539 -13.061 0.00 0.00 C ATOM 27842 O4 U A1301 253.711 120.595 -13.195 0.00 0.00 O ATOM 27843 C5 U A1301 255.683 119.340 -12.830 0.00 0.00 C ATOM 27844 C6 U A1301 257.033 119.372 -12.679 0.00 0.00 C ATOM 27845 P C A1302 262.682 121.242 -10.204 0.00 0.00 P ATOM 27846 O1P C A1302 262.590 121.558 -11.648 0.00 0.00 O ATOM 27847 O2P C A1302 263.966 120.716 -9.716 0.00 0.00 O ATOM 27848 O5* C A1302 262.195 122.511 -9.275 0.00 0.00 O ATOM 27849 C5* C A1302 261.456 122.313 -8.054 0.00 0.00 C ATOM 27850 C4* C A1302 260.716 123.547 -7.499 0.00 0.00 C ATOM 27851 O4* C A1302 261.582 124.539 -6.987 0.00 0.00 O ATOM 27852 C3* C A1302 259.788 124.204 -8.539 0.00 0.00 C ATOM 27853 O3* C A1302 258.427 123.794 -8.468 0.00 0.00 O ATOM 27854 C2* C A1302 260.034 125.716 -8.449 0.00 0.00 C ATOM 27855 O2* C A1302 258.909 126.551 -8.190 0.00 0.00 O ATOM 27856 C1* C A1302 261.103 125.825 -7.360 0.00 0.00 C ATOM 27857 N1 C A1302 262.276 126.546 -7.902 0.00 0.00 N ATOM 27858 C2 C A1302 262.469 127.897 -7.605 0.00 0.00 C ATOM 27859 O2 C A1302 261.571 128.550 -7.069 0.00 0.00 O ATOM 27860 N3 C A1302 263.667 128.472 -7.918 0.00 0.00 N ATOM 27861 C4 C A1302 264.565 127.756 -8.586 0.00 0.00 C ATOM 27862 N4 C A1302 265.706 128.293 -8.917 0.00 0.00 N ATOM 27863 C5 C A1302 264.359 126.418 -9.003 0.00 0.00 C ATOM 27864 C6 C A1302 263.187 125.856 -8.662 0.00 0.00 C ATOM 27865 P C A1303 257.613 123.609 -7.087 0.00 0.00 P ATOM 27866 O1P C A1303 257.900 124.734 -6.170 0.00 0.00 O ATOM 27867 O2P C A1303 257.861 122.223 -6.647 0.00 0.00 O ATOM 27868 O5* C A1303 256.117 123.722 -7.625 0.00 0.00 O ATOM 27869 C5* C A1303 255.672 124.889 -8.285 0.00 0.00 C ATOM 27870 C4* C A1303 254.518 124.504 -9.200 0.00 0.00 C ATOM 27871 O4* C A1303 254.918 123.463 -10.101 0.00 0.00 O ATOM 27872 C3* C A1303 253.311 123.988 -8.426 0.00 0.00 C ATOM 27873 O3* C A1303 252.477 125.012 -7.875 0.00 0.00 O ATOM 27874 C2* C A1303 252.667 123.179 -9.556 0.00 0.00 C ATOM 27875 O2* C A1303 252.170 123.959 -10.617 0.00 0.00 O ATOM 27876 C1* C A1303 253.848 122.529 -10.259 0.00 0.00 C ATOM 27877 N1 C A1303 254.171 121.148 -9.799 0.00 0.00 N ATOM 27878 C2 C A1303 253.242 120.113 -10.024 0.00 0.00 C ATOM 27879 O2 C A1303 252.062 120.317 -10.309 0.00 0.00 O ATOM 27880 N3 C A1303 253.628 118.820 -9.900 0.00 0.00 N ATOM 27881 C4 C A1303 254.879 118.548 -9.573 0.00 0.00 C ATOM 27882 N4 C A1303 255.165 117.278 -9.466 0.00 0.00 N ATOM 27883 C5 C A1303 255.842 119.549 -9.268 0.00 0.00 C ATOM 27884 C6 C A1303 255.444 120.838 -9.376 0.00 0.00 C ATOM 27885 P G A1304 252.086 125.017 -6.302 0.00 0.00 P ATOM 27886 O1P G A1304 250.942 125.934 -6.050 0.00 0.00 O ATOM 27887 O2P G A1304 253.303 125.149 -5.479 0.00 0.00 O ATOM 27888 O5* G A1304 251.527 123.529 -6.157 0.00 0.00 O ATOM 27889 C5* G A1304 250.308 123.170 -6.773 0.00 0.00 C ATOM 27890 C4* G A1304 250.047 121.671 -6.633 0.00 0.00 C ATOM 27891 O4* G A1304 250.976 120.910 -7.372 0.00 0.00 O ATOM 27892 C3* G A1304 250.189 121.183 -5.183 0.00 0.00 C ATOM 27893 O3* G A1304 249.150 121.515 -4.267 0.00 0.00 O ATOM 27894 C2* G A1304 250.297 119.683 -5.431 0.00 0.00 C ATOM 27895 O2* G A1304 249.043 119.058 -5.633 0.00 0.00 O ATOM 27896 C1* G A1304 251.061 119.638 -6.755 0.00 0.00 C ATOM 27897 N9 G A1304 252.485 119.362 -6.535 0.00 0.00 N ATOM 27898 C8 G A1304 253.494 120.258 -6.288 0.00 0.00 C ATOM 27899 N7 G A1304 254.665 119.708 -6.168 0.00 0.00 N ATOM 27900 C5 G A1304 254.418 118.354 -6.369 0.00 0.00 C ATOM 27901 C6 G A1304 255.308 117.236 -6.342 0.00 0.00 C ATOM 27902 O6 G A1304 256.493 117.185 -6.028 0.00 0.00 O ATOM 27903 N1 G A1304 254.670 116.044 -6.608 0.00 0.00 N ATOM 27904 C2 G A1304 253.323 115.898 -6.703 0.00 0.00 C ATOM 27905 N2 G A1304 252.920 114.652 -6.628 0.00 0.00 N ATOM 27906 N3 G A1304 252.444 116.909 -6.692 0.00 0.00 N ATOM 27907 C4 G A1304 253.070 118.123 -6.554 0.00 0.00 C ATOM 27908 P G A1305 249.398 122.610 -3.095 0.00 0.00 P ATOM 27909 O1P G A1305 248.983 123.927 -3.632 0.00 0.00 O ATOM 27910 O2P G A1305 250.766 122.465 -2.560 0.00 0.00 O ATOM 27911 O5* G A1305 248.364 122.171 -1.921 0.00 0.00 O ATOM 27912 C5* G A1305 248.782 121.475 -0.745 0.00 0.00 C ATOM 27913 C4* G A1305 249.000 119.965 -0.935 0.00 0.00 C ATOM 27914 O4* G A1305 249.916 119.705 -1.990 0.00 0.00 O ATOM 27915 C3* G A1305 249.564 119.304 0.334 0.00 0.00 C ATOM 27916 O3* G A1305 248.529 118.904 1.235 0.00 0.00 O ATOM 27917 C2* G A1305 250.382 118.166 -0.279 0.00 0.00 C ATOM 27918 O2* G A1305 249.535 117.094 -0.642 0.00 0.00 O ATOM 27919 C1* G A1305 250.884 118.766 -1.590 0.00 0.00 C ATOM 27920 N9 G A1305 252.232 119.383 -1.562 0.00 0.00 N ATOM 27921 C8 G A1305 252.653 120.637 -1.193 0.00 0.00 C ATOM 27922 N7 G A1305 253.918 120.868 -1.429 0.00 0.00 N ATOM 27923 C5 G A1305 254.363 119.704 -2.064 0.00 0.00 C ATOM 27924 C6 G A1305 255.628 119.341 -2.653 0.00 0.00 C ATOM 27925 O6 G A1305 256.668 119.989 -2.725 0.00 0.00 O ATOM 27926 N1 G A1305 255.628 118.063 -3.202 0.00 0.00 N ATOM 27927 C2 G A1305 254.551 117.218 -3.124 0.00 0.00 C ATOM 27928 N2 G A1305 254.587 116.047 -3.707 0.00 0.00 N ATOM 27929 N3 G A1305 253.364 117.532 -2.626 0.00 0.00 N ATOM 27930 C4 G A1305 253.335 118.789 -2.110 0.00 0.00 C ATOM 27931 P A A1306 248.803 118.082 2.597 0.00 0.00 P ATOM 27932 O1P A A1306 247.841 118.590 3.607 0.00 0.00 O ATOM 27933 O2P A A1306 250.257 118.182 2.887 0.00 0.00 O ATOM 27934 O5* A A1306 248.479 116.527 2.277 0.00 0.00 O ATOM 27935 C5* A A1306 247.180 116.093 1.897 0.00 0.00 C ATOM 27936 C4* A A1306 247.158 114.676 1.294 0.00 0.00 C ATOM 27937 O4* A A1306 247.941 114.605 0.105 0.00 0.00 O ATOM 27938 C3* A A1306 247.649 113.573 2.227 0.00 0.00 C ATOM 27939 O3* A A1306 246.639 113.143 3.142 0.00 0.00 O ATOM 27940 C2* A A1306 248.070 112.513 1.195 0.00 0.00 C ATOM 27941 O2* A A1306 246.962 111.800 0.682 0.00 0.00 O ATOM 27942 C1* A A1306 248.633 113.365 0.060 0.00 0.00 C ATOM 27943 N9 A A1306 250.089 113.588 0.222 0.00 0.00 N ATOM 27944 C8 A A1306 250.737 114.705 0.688 0.00 0.00 C ATOM 27945 N7 A A1306 252.039 114.651 0.619 0.00 0.00 N ATOM 27946 C5 A A1306 252.268 113.343 0.176 0.00 0.00 C ATOM 27947 C6 A A1306 253.423 112.541 0.033 0.00 0.00 C ATOM 27948 N6 A A1306 254.639 112.927 0.359 0.00 0.00 N ATOM 27949 N1 A A1306 253.329 111.261 -0.321 0.00 0.00 N ATOM 27950 C2 A A1306 252.119 110.763 -0.528 0.00 0.00 C ATOM 27951 N3 A A1306 250.942 111.379 -0.421 0.00 0.00 N ATOM 27952 C4 A A1306 251.088 112.684 -0.055 0.00 0.00 C ATOM 27953 P U A1307 247.028 112.707 4.632 0.00 0.00 P ATOM 27954 O1P U A1307 245.842 112.199 5.355 0.00 0.00 O ATOM 27955 O2P U A1307 247.670 113.881 5.257 0.00 0.00 O ATOM 27956 O5* U A1307 248.082 111.521 4.441 0.00 0.00 O ATOM 27957 C5* U A1307 247.702 110.296 3.835 0.00 0.00 C ATOM 27958 C4* U A1307 248.917 109.407 3.521 0.00 0.00 C ATOM 27959 O4* U A1307 249.728 109.930 2.476 0.00 0.00 O ATOM 27960 C3* U A1307 249.816 109.170 4.719 0.00 0.00 C ATOM 27961 O3* U A1307 249.266 108.126 5.500 0.00 0.00 O ATOM 27962 C2* U A1307 251.140 108.829 4.024 0.00 0.00 C ATOM 27963 O2* U A1307 251.214 107.488 3.553 0.00 0.00 O ATOM 27964 C1* U A1307 251.100 109.774 2.818 0.00 0.00 C ATOM 27965 N1 U A1307 251.785 111.073 3.107 0.00 0.00 N ATOM 27966 C2 U A1307 253.182 111.074 3.063 0.00 0.00 C ATOM 27967 O2 U A1307 253.849 110.057 2.891 0.00 0.00 O ATOM 27968 N3 U A1307 253.813 112.288 3.236 0.00 0.00 N ATOM 27969 C4 U A1307 253.203 113.505 3.435 0.00 0.00 C ATOM 27970 O4 U A1307 253.889 114.521 3.495 0.00 0.00 O ATOM 27971 C5 U A1307 251.760 113.421 3.541 0.00 0.00 C ATOM 27972 C6 U A1307 251.100 112.242 3.371 0.00 0.00 C ATOM 27973 P U A1308 249.352 108.148 7.089 0.00 0.00 P ATOM 27974 O1P U A1308 248.685 106.932 7.595 0.00 0.00 O ATOM 27975 O2P U A1308 248.905 109.478 7.561 0.00 0.00 O ATOM 27976 O5* U A1308 250.937 107.974 7.307 0.00 0.00 O ATOM 27977 C5* U A1308 251.541 106.715 7.051 0.00 0.00 C ATOM 27978 C4* U A1308 253.066 106.787 6.962 0.00 0.00 C ATOM 27979 O4* U A1308 253.492 107.608 5.883 0.00 0.00 O ATOM 27980 C3* U A1308 253.761 107.288 8.228 0.00 0.00 C ATOM 27981 O3* U A1308 253.798 106.256 9.208 0.00 0.00 O ATOM 27982 C2* U A1308 255.113 107.662 7.600 0.00 0.00 C ATOM 27983 O2* U A1308 255.906 106.514 7.321 0.00 0.00 O ATOM 27984 C1* U A1308 254.693 108.270 6.255 0.00 0.00 C ATOM 27985 N1 U A1308 254.515 109.752 6.319 0.00 0.00 N ATOM 27986 C2 U A1308 255.656 110.547 6.168 0.00 0.00 C ATOM 27987 O2 U A1308 256.784 110.082 6.028 0.00 0.00 O ATOM 27988 N3 U A1308 255.475 111.914 6.214 0.00 0.00 N ATOM 27989 C4 U A1308 254.284 112.570 6.412 0.00 0.00 C ATOM 27990 O4 U A1308 254.274 113.784 6.603 0.00 0.00 O ATOM 27991 C5 U A1308 253.133 111.690 6.463 0.00 0.00 C ATOM 27992 C6 U A1308 253.275 110.340 6.461 0.00 0.00 C ATOM 27993 P G A1309 254.259 106.487 10.734 0.00 0.00 P ATOM 27994 O1P G A1309 254.166 105.164 11.396 0.00 0.00 O ATOM 27995 O2P G A1309 253.535 107.634 11.336 0.00 0.00 O ATOM 27996 O5* G A1309 255.805 106.906 10.651 0.00 0.00 O ATOM 27997 C5* G A1309 256.834 105.945 10.498 0.00 0.00 C ATOM 27998 C4* G A1309 258.204 106.620 10.533 0.00 0.00 C ATOM 27999 O4* G A1309 258.356 107.516 9.435 0.00 0.00 O ATOM 28000 C3* G A1309 258.460 107.440 11.800 0.00 0.00 C ATOM 28001 O3* G A1309 258.744 106.650 12.950 0.00 0.00 O ATOM 28002 C2* G A1309 259.632 108.285 11.287 0.00 0.00 C ATOM 28003 O2* G A1309 260.853 107.556 11.187 0.00 0.00 O ATOM 28004 C1* G A1309 259.157 108.608 9.867 0.00 0.00 C ATOM 28005 N9 G A1309 258.365 109.857 9.834 0.00 0.00 N ATOM 28006 C8 G A1309 257.007 110.032 9.843 0.00 0.00 C ATOM 28007 N7 G A1309 256.623 111.277 9.744 0.00 0.00 N ATOM 28008 C5 G A1309 257.829 111.996 9.730 0.00 0.00 C ATOM 28009 C6 G A1309 258.118 113.410 9.699 0.00 0.00 C ATOM 28010 O6 G A1309 257.350 114.372 9.647 0.00 0.00 O ATOM 28011 N1 G A1309 259.478 113.689 9.739 0.00 0.00 N ATOM 28012 C2 G A1309 260.452 112.730 9.803 0.00 0.00 C ATOM 28013 N2 G A1309 261.706 113.106 9.887 0.00 0.00 N ATOM 28014 N3 G A1309 260.220 111.421 9.823 0.00 0.00 N ATOM 28015 C4 G A1309 258.892 111.119 9.789 0.00 0.00 C ATOM 28016 P G A1310 258.510 107.206 14.450 0.00 0.00 P ATOM 28017 O1P G A1310 259.059 106.208 15.395 0.00 0.00 O ATOM 28018 O2P G A1310 257.085 107.617 14.586 0.00 0.00 O ATOM 28019 O5* G A1310 259.436 108.537 14.476 0.00 0.00 O ATOM 28020 C5* G A1310 260.857 108.456 14.518 0.00 0.00 C ATOM 28021 C4* G A1310 261.531 109.836 14.440 0.00 0.00 C ATOM 28022 O4* G A1310 261.185 110.543 13.252 0.00 0.00 O ATOM 28023 C3* G A1310 261.170 110.769 15.587 0.00 0.00 C ATOM 28024 O3* G A1310 261.811 110.440 16.806 0.00 0.00 O ATOM 28025 C2* G A1310 261.631 112.103 14.990 0.00 0.00 C ATOM 28026 O2* G A1310 263.036 112.302 14.998 0.00 0.00 O ATOM 28027 C1* G A1310 261.243 111.938 13.525 0.00 0.00 C ATOM 28028 N9 G A1310 259.958 112.621 13.262 0.00 0.00 N ATOM 28029 C8 G A1310 258.687 112.119 13.182 0.00 0.00 C ATOM 28030 N7 G A1310 257.770 113.027 12.968 0.00 0.00 N ATOM 28031 C5 G A1310 258.485 114.231 12.909 0.00 0.00 C ATOM 28032 C6 G A1310 258.080 115.602 12.701 0.00 0.00 C ATOM 28033 O6 G A1310 256.965 116.088 12.505 0.00 0.00 O ATOM 28034 N1 G A1310 259.141 116.493 12.745 0.00 0.00 N ATOM 28035 C2 G A1310 260.443 116.120 12.928 0.00 0.00 C ATOM 28036 N2 G A1310 261.369 117.049 12.966 0.00 0.00 N ATOM 28037 N3 G A1310 260.852 114.870 13.105 0.00 0.00 N ATOM 28038 C4 G A1310 259.827 113.973 13.090 0.00 0.00 C ATOM 28039 P A A1311 261.249 110.994 18.206 0.00 0.00 P ATOM 28040 O1P A A1311 262.105 110.453 19.282 0.00 0.00 O ATOM 28041 O2P A A1311 259.788 110.766 18.222 0.00 0.00 O ATOM 28042 O5* A A1311 261.503 112.579 18.075 0.00 0.00 O ATOM 28043 C5* A A1311 262.797 113.136 18.223 0.00 0.00 C ATOM 28044 C4* A A1311 262.760 114.648 17.975 0.00 0.00 C ATOM 28045 O4* A A1311 262.215 114.971 16.694 0.00 0.00 O ATOM 28046 C3* A A1311 261.904 115.374 19.004 0.00 0.00 C ATOM 28047 O3* A A1311 262.559 115.573 20.243 0.00 0.00 O ATOM 28048 C2* A A1311 261.625 116.672 18.247 0.00 0.00 C ATOM 28049 O2* A A1311 262.702 117.604 18.256 0.00 0.00 O ATOM 28050 C1* A A1311 261.477 116.187 16.809 0.00 0.00 C ATOM 28051 N9 A A1311 260.041 116.012 16.497 0.00 0.00 N ATOM 28052 C8 A A1311 259.268 114.879 16.567 0.00 0.00 C ATOM 28053 N7 A A1311 258.019 115.059 16.227 0.00 0.00 N ATOM 28054 C5 A A1311 257.960 116.426 15.937 0.00 0.00 C ATOM 28055 C6 A A1311 256.933 117.303 15.516 0.00 0.00 C ATOM 28056 N6 A A1311 255.700 116.920 15.227 0.00 0.00 N ATOM 28057 N1 A A1311 257.171 118.613 15.371 0.00 0.00 N ATOM 28058 C2 A A1311 258.410 119.042 15.591 0.00 0.00 C ATOM 28059 N3 A A1311 259.476 118.342 15.968 0.00 0.00 N ATOM 28060 C4 A A1311 259.180 117.020 16.126 0.00 0.00 C ATOM 28061 P G A1312 261.720 115.701 21.610 0.00 0.00 P ATOM 28062 O1P G A1312 262.676 116.004 22.698 0.00 0.00 O ATOM 28063 O2P G A1312 260.817 114.538 21.708 0.00 0.00 O ATOM 28064 O5* G A1312 260.808 117.000 21.346 0.00 0.00 O ATOM 28065 C5* G A1312 261.379 118.289 21.375 0.00 0.00 C ATOM 28066 C4* G A1312 260.446 119.347 20.791 0.00 0.00 C ATOM 28067 O4* G A1312 259.908 118.983 19.517 0.00 0.00 O ATOM 28068 C3* G A1312 259.212 119.720 21.608 0.00 0.00 C ATOM 28069 O3* G A1312 259.450 120.447 22.804 0.00 0.00 O ATOM 28070 C2* G A1312 258.524 120.567 20.534 0.00 0.00 C ATOM 28071 O2* G A1312 259.275 121.745 20.252 0.00 0.00 O ATOM 28072 C1* G A1312 258.690 119.683 19.303 0.00 0.00 C ATOM 28073 N9 G A1312 257.499 118.820 19.061 0.00 0.00 N ATOM 28074 C8 G A1312 257.312 117.461 19.147 0.00 0.00 C ATOM 28075 N7 G A1312 256.131 117.058 18.742 0.00 0.00 N ATOM 28076 C5 G A1312 255.473 118.233 18.365 0.00 0.00 C ATOM 28077 C6 G A1312 254.166 118.490 17.802 0.00 0.00 C ATOM 28078 O6 G A1312 253.267 117.708 17.489 0.00 0.00 O ATOM 28079 N1 G A1312 253.926 119.842 17.590 0.00 0.00 N ATOM 28080 C2 G A1312 254.838 120.826 17.852 0.00 0.00 C ATOM 28081 N2 G A1312 254.511 122.076 17.631 0.00 0.00 N ATOM 28082 N3 G A1312 256.054 120.615 18.333 0.00 0.00 N ATOM 28083 C4 G A1312 256.312 119.304 18.576 0.00 0.00 C ATOM 28084 P U A1313 258.245 120.700 23.841 0.00 0.00 P ATOM 28085 O1P U A1313 258.789 121.255 25.096 0.00 0.00 O ATOM 28086 O2P U A1313 257.411 119.478 23.864 0.00 0.00 O ATOM 28087 O5* U A1313 257.349 121.836 23.147 0.00 0.00 O ATOM 28088 C5* U A1313 257.787 123.172 22.978 0.00 0.00 C ATOM 28089 C4* U A1313 256.674 123.988 22.307 0.00 0.00 C ATOM 28090 O4* U A1313 256.199 123.347 21.124 0.00 0.00 O ATOM 28091 C3* U A1313 255.445 124.172 23.189 0.00 0.00 C ATOM 28092 O3* U A1313 255.626 125.162 24.187 0.00 0.00 O ATOM 28093 C2* U A1313 254.406 124.522 22.114 0.00 0.00 C ATOM 28094 O2* U A1313 254.544 125.810 21.552 0.00 0.00 O ATOM 28095 C1* U A1313 254.802 123.591 20.977 0.00 0.00 C ATOM 28096 N1 U A1313 254.007 122.337 20.980 0.00 0.00 N ATOM 28097 C2 U A1313 252.761 122.341 20.341 0.00 0.00 C ATOM 28098 O2 U A1313 252.222 123.365 19.921 0.00 0.00 O ATOM 28099 N3 U A1313 252.136 121.114 20.194 0.00 0.00 N ATOM 28100 C4 U A1313 252.628 119.899 20.628 0.00 0.00 C ATOM 28101 O4 U A1313 252.015 118.858 20.401 0.00 0.00 O ATOM 28102 C5 U A1313 253.886 119.993 21.344 0.00 0.00 C ATOM 28103 C6 U A1313 254.521 121.176 21.504 0.00 0.00 C ATOM 28104 P C A1314 254.829 125.088 25.578 0.00 0.00 P ATOM 28105 O1P C A1314 255.129 126.301 26.361 0.00 0.00 O ATOM 28106 O2P C A1314 255.119 123.785 26.210 0.00 0.00 O ATOM 28107 O5* C A1314 253.279 125.115 25.085 0.00 0.00 O ATOM 28108 C5* C A1314 252.688 126.317 24.590 0.00 0.00 C ATOM 28109 C4* C A1314 251.247 126.162 24.072 0.00 0.00 C ATOM 28110 O4* C A1314 251.145 125.366 22.889 0.00 0.00 O ATOM 28111 C3* C A1314 250.313 125.516 25.083 0.00 0.00 C ATOM 28112 O3* C A1314 249.950 126.386 26.137 0.00 0.00 O ATOM 28113 C2* C A1314 249.162 125.079 24.168 0.00 0.00 C ATOM 28114 O2* C A1314 248.315 126.127 23.726 0.00 0.00 O ATOM 28115 C1* C A1314 249.926 124.614 22.930 0.00 0.00 C ATOM 28116 N1 C A1314 250.182 123.146 22.986 0.00 0.00 N ATOM 28117 C2 C A1314 249.175 122.249 22.598 0.00 0.00 C ATOM 28118 O2 C A1314 248.078 122.634 22.184 0.00 0.00 O ATOM 28119 N3 C A1314 249.398 120.912 22.700 0.00 0.00 N ATOM 28120 C4 C A1314 250.569 120.462 23.138 0.00 0.00 C ATOM 28121 N4 C A1314 250.728 119.173 23.322 0.00 0.00 N ATOM 28122 C5 C A1314 251.640 121.338 23.462 0.00 0.00 C ATOM 28123 C6 C A1314 251.398 122.666 23.403 0.00 0.00 C ATOM 28124 P U A1315 249.378 125.815 27.515 0.00 0.00 P ATOM 28125 O1P U A1315 249.398 126.876 28.537 0.00 0.00 O ATOM 28126 O2P U A1315 250.048 124.514 27.767 0.00 0.00 O ATOM 28127 O5* U A1315 247.858 125.508 27.119 0.00 0.00 O ATOM 28128 C5* U A1315 246.923 126.537 26.842 0.00 0.00 C ATOM 28129 C4* U A1315 245.610 125.891 26.394 0.00 0.00 C ATOM 28130 O4* U A1315 245.841 125.049 25.266 0.00 0.00 O ATOM 28131 C3* U A1315 244.992 125.036 27.497 0.00 0.00 C ATOM 28132 O3* U A1315 244.177 125.819 28.356 0.00 0.00 O ATOM 28133 C2* U A1315 244.217 123.999 26.678 0.00 0.00 C ATOM 28134 O2* U A1315 242.912 124.412 26.300 0.00 0.00 O ATOM 28135 C1* U A1315 245.020 123.894 25.383 0.00 0.00 C ATOM 28136 N1 U A1315 245.800 122.626 25.317 0.00 0.00 N ATOM 28137 C2 U A1315 245.182 121.527 24.713 0.00 0.00 C ATOM 28138 O2 U A1315 244.031 121.533 24.274 0.00 0.00 O ATOM 28139 N3 U A1315 245.939 120.385 24.605 0.00 0.00 N ATOM 28140 C4 U A1315 247.250 120.230 24.969 0.00 0.00 C ATOM 28141 O4 U A1315 247.805 119.154 24.802 0.00 0.00 O ATOM 28142 C5 U A1315 247.836 121.403 25.572 0.00 0.00 C ATOM 28143 C6 U A1315 247.104 122.536 25.768 0.00 0.00 C ATOM 28144 P G A1316 244.202 125.621 29.949 0.00 0.00 P ATOM 28145 O1P G A1316 243.262 126.588 30.552 0.00 0.00 O ATOM 28146 O2P G A1316 245.612 125.573 30.382 0.00 0.00 O ATOM 28147 O5* G A1316 243.583 124.153 30.085 0.00 0.00 O ATOM 28148 C5* G A1316 242.194 123.939 29.962 0.00 0.00 C ATOM 28149 C4* G A1316 241.916 122.469 29.670 0.00 0.00 C ATOM 28150 O4* G A1316 242.576 122.034 28.487 0.00 0.00 O ATOM 28151 C3* G A1316 242.337 121.538 30.810 0.00 0.00 C ATOM 28152 O3* G A1316 241.329 121.402 31.797 0.00 0.00 O ATOM 28153 C2* G A1316 242.492 120.251 30.017 0.00 0.00 C ATOM 28154 O2* G A1316 241.228 119.687 29.700 0.00 0.00 O ATOM 28155 C1* G A1316 243.089 120.729 28.698 0.00 0.00 C ATOM 28156 N9 G A1316 244.573 120.711 28.688 0.00 0.00 N ATOM 28157 C8 G A1316 245.482 121.677 29.058 0.00 0.00 C ATOM 28158 N7 G A1316 246.728 121.348 28.852 0.00 0.00 N ATOM 28159 C5 G A1316 246.650 120.032 28.396 0.00 0.00 C ATOM 28160 C6 G A1316 247.683 119.095 28.051 0.00 0.00 C ATOM 28161 O6 G A1316 248.899 119.293 27.987 0.00 0.00 O ATOM 28162 N1 G A1316 247.175 117.841 27.729 0.00 0.00 N ATOM 28163 C2 G A1316 245.843 117.592 27.561 0.00 0.00 C ATOM 28164 N2 G A1316 245.523 116.397 27.139 0.00 0.00 N ATOM 28165 N3 G A1316 244.855 118.466 27.765 0.00 0.00 N ATOM 28166 C4 G A1316 245.330 119.655 28.245 0.00 0.00 C ATOM 28167 P C A1317 241.683 121.278 33.357 0.00 0.00 P ATOM 28168 O1P C A1317 240.383 121.168 34.041 0.00 0.00 O ATOM 28169 O2P C A1317 242.605 122.373 33.715 0.00 0.00 O ATOM 28170 O5* C A1317 242.446 119.875 33.583 0.00 0.00 O ATOM 28171 C5* C A1317 243.331 119.713 34.689 0.00 0.00 C ATOM 28172 C4* C A1317 243.737 118.253 34.904 0.00 0.00 C ATOM 28173 O4* C A1317 242.604 117.465 35.250 0.00 0.00 O ATOM 28174 C3* C A1317 244.342 117.614 33.662 0.00 0.00 C ATOM 28175 O3* C A1317 245.706 117.938 33.459 0.00 0.00 O ATOM 28176 C2* C A1317 244.123 116.136 33.980 0.00 0.00 C ATOM 28177 O2* C A1317 245.159 115.550 34.761 0.00 0.00 O ATOM 28178 C1* C A1317 242.870 116.130 34.849 0.00 0.00 C ATOM 28179 N1 C A1317 241.732 115.533 34.103 0.00 0.00 N ATOM 28180 C2 C A1317 241.544 114.148 34.177 0.00 0.00 C ATOM 28181 O2 C A1317 242.351 113.449 34.788 0.00 0.00 O ATOM 28182 N3 C A1317 240.469 113.585 33.564 0.00 0.00 N ATOM 28183 C4 C A1317 239.628 114.354 32.895 0.00 0.00 C ATOM 28184 N4 C A1317 238.621 113.740 32.323 0.00 0.00 N ATOM 28185 C5 C A1317 239.821 115.758 32.726 0.00 0.00 C ATOM 28186 C6 C A1317 240.899 116.307 33.336 0.00 0.00 C ATOM 28187 P A A1318 246.317 118.039 31.980 0.00 0.00 P ATOM 28188 O1P A A1318 247.779 118.202 32.090 0.00 0.00 O ATOM 28189 O2P A A1318 245.501 119.020 31.240 0.00 0.00 O ATOM 28190 O5* A A1318 246.008 116.599 31.332 0.00 0.00 O ATOM 28191 C5* A A1318 246.688 115.428 31.735 0.00 0.00 C ATOM 28192 C4* A A1318 245.947 114.174 31.237 0.00 0.00 C ATOM 28193 O4* A A1318 244.575 114.148 31.601 0.00 0.00 O ATOM 28194 C3* A A1318 245.987 114.033 29.731 0.00 0.00 C ATOM 28195 O3* A A1318 247.151 113.322 29.389 0.00 0.00 O ATOM 28196 C2* A A1318 244.698 113.261 29.429 0.00 0.00 C ATOM 28197 O2* A A1318 244.836 111.865 29.648 0.00 0.00 O ATOM 28198 C1* A A1318 243.754 113.800 30.504 0.00 0.00 C ATOM 28199 N9 A A1318 242.884 114.911 30.028 0.00 0.00 N ATOM 28200 C8 A A1318 242.997 116.281 30.162 0.00 0.00 C ATOM 28201 N7 A A1318 241.964 116.956 29.718 0.00 0.00 N ATOM 28202 C5 A A1318 241.127 115.958 29.210 0.00 0.00 C ATOM 28203 C6 A A1318 239.886 115.953 28.529 0.00 0.00 C ATOM 28204 N6 A A1318 239.198 117.027 28.177 0.00 0.00 N ATOM 28205 N1 A A1318 239.336 114.804 28.128 0.00 0.00 N ATOM 28206 C2 A A1318 239.986 113.673 28.377 0.00 0.00 C ATOM 28207 N3 A A1318 241.153 113.521 29.002 0.00 0.00 N ATOM 28208 C4 A A1318 241.681 114.717 29.392 0.00 0.00 C ATOM 28209 P A A1319 247.866 113.560 28.005 0.00 0.00 P ATOM 28210 O1P A A1319 249.033 112.645 27.937 0.00 0.00 O ATOM 28211 O2P A A1319 248.005 115.022 27.790 0.00 0.00 O ATOM 28212 O5* A A1319 246.848 113.069 26.891 0.00 0.00 O ATOM 28213 C5* A A1319 247.360 112.886 25.593 0.00 0.00 C ATOM 28214 C4* A A1319 246.266 112.978 24.541 0.00 0.00 C ATOM 28215 O4* A A1319 245.641 114.245 24.642 0.00 0.00 O ATOM 28216 C3* A A1319 246.840 112.936 23.121 0.00 0.00 C ATOM 28217 O3* A A1319 246.911 111.633 22.574 0.00 0.00 O ATOM 28218 C2* A A1319 245.863 113.839 22.339 0.00 0.00 C ATOM 28219 O2* A A1319 244.985 113.116 21.493 0.00 0.00 O ATOM 28220 C1* A A1319 244.983 114.469 23.417 0.00 0.00 C ATOM 28221 N9 A A1319 244.689 115.903 23.219 0.00 0.00 N ATOM 28222 C8 A A1319 245.438 116.992 23.579 0.00 0.00 C ATOM 28223 N7 A A1319 244.835 118.133 23.381 0.00 0.00 N ATOM 28224 C5 A A1319 243.597 117.780 22.848 0.00 0.00 C ATOM 28225 C6 A A1319 242.447 118.492 22.422 0.00 0.00 C ATOM 28226 N6 A A1319 242.265 119.802 22.474 0.00 0.00 N ATOM 28227 N1 A A1319 241.402 117.840 21.918 0.00 0.00 N ATOM 28228 C2 A A1319 241.459 116.514 21.849 0.00 0.00 C ATOM 28229 N3 A A1319 242.457 115.720 22.229 0.00 0.00 N ATOM 28230 C4 A A1319 243.514 116.420 22.721 0.00 0.00 C ATOM 28231 P C A1320 248.015 110.559 22.987 0.00 0.00 P ATOM 28232 O1P C A1320 247.699 110.036 24.326 0.00 0.00 O ATOM 28233 O2P C A1320 249.366 111.126 22.792 0.00 0.00 O ATOM 28234 O5* C A1320 247.698 109.410 21.921 0.00 0.00 O ATOM 28235 C5* C A1320 248.661 108.537 21.366 0.00 0.00 C ATOM 28236 C4* C A1320 248.007 107.172 21.102 0.00 0.00 C ATOM 28237 O4* C A1320 247.833 106.479 22.330 0.00 0.00 O ATOM 28238 C3* C A1320 246.620 107.251 20.463 0.00 0.00 C ATOM 28239 O3* C A1320 246.661 107.484 19.068 0.00 0.00 O ATOM 28240 C2* C A1320 246.035 105.901 20.878 0.00 0.00 C ATOM 28241 O2* C A1320 246.491 104.793 20.115 0.00 0.00 O ATOM 28242 C1* C A1320 246.608 105.756 22.290 0.00 0.00 C ATOM 28243 N1 C A1320 245.654 106.253 23.321 0.00 0.00 N ATOM 28244 C2 C A1320 244.611 105.411 23.704 0.00 0.00 C ATOM 28245 O2 C A1320 244.465 104.307 23.172 0.00 0.00 O ATOM 28246 N3 C A1320 243.734 105.813 24.663 0.00 0.00 N ATOM 28247 C4 C A1320 243.878 107.006 25.222 0.00 0.00 C ATOM 28248 N4 C A1320 242.972 107.363 26.100 0.00 0.00 N ATOM 28249 C5 C A1320 244.904 107.914 24.844 0.00 0.00 C ATOM 28250 C6 C A1320 245.774 107.497 23.893 0.00 0.00 C ATOM 28251 P U A1321 245.433 108.206 18.320 0.00 0.00 P ATOM 28252 O1P U A1321 245.777 108.355 16.893 0.00 0.00 O ATOM 28253 O2P U A1321 244.972 109.361 19.130 0.00 0.00 O ATOM 28254 O5* U A1321 244.273 107.123 18.440 0.00 0.00 O ATOM 28255 C5* U A1321 244.258 105.909 17.731 0.00 0.00 C ATOM 28256 C4* U A1321 243.060 105.099 18.234 0.00 0.00 C ATOM 28257 O4* U A1321 243.148 104.844 19.636 0.00 0.00 O ATOM 28258 C3* U A1321 241.750 105.848 18.011 0.00 0.00 C ATOM 28259 O3* U A1321 241.305 105.770 16.666 0.00 0.00 O ATOM 28260 C2* U A1321 240.866 105.164 19.044 0.00 0.00 C ATOM 28261 O2* U A1321 240.401 103.901 18.602 0.00 0.00 O ATOM 28262 C1* U A1321 241.846 104.947 20.206 0.00 0.00 C ATOM 28263 N1 U A1321 241.759 106.028 21.239 0.00 0.00 N ATOM 28264 C2 U A1321 241.077 105.734 22.428 0.00 0.00 C ATOM 28265 O2 U A1321 240.624 104.620 22.678 0.00 0.00 O ATOM 28266 N3 U A1321 240.949 106.755 23.353 0.00 0.00 N ATOM 28267 C4 U A1321 241.453 108.032 23.217 0.00 0.00 C ATOM 28268 O4 U A1321 241.283 108.870 24.094 0.00 0.00 O ATOM 28269 C5 U A1321 242.197 108.245 22.000 0.00 0.00 C ATOM 28270 C6 U A1321 242.327 107.275 21.060 0.00 0.00 C ATOM 28271 P C A1322 240.455 106.971 16.038 0.00 0.00 P ATOM 28272 O1P C A1322 239.264 107.171 16.884 0.00 0.00 O ATOM 28273 O2P C A1322 240.246 106.722 14.601 0.00 0.00 O ATOM 28274 O5* C A1322 241.473 108.202 16.236 0.00 0.00 O ATOM 28275 C5* C A1322 241.309 109.433 15.554 0.00 0.00 C ATOM 28276 C4* C A1322 241.300 110.629 16.520 0.00 0.00 C ATOM 28277 O4* C A1322 240.178 110.513 17.399 0.00 0.00 O ATOM 28278 C3* C A1322 242.564 110.751 17.395 0.00 0.00 C ATOM 28279 O3* C A1322 242.927 112.106 17.596 0.00 0.00 O ATOM 28280 C2* C A1322 242.031 110.191 18.710 0.00 0.00 C ATOM 28281 O2* C A1322 242.683 110.643 19.868 0.00 0.00 O ATOM 28282 C1* C A1322 240.634 110.752 18.719 0.00 0.00 C ATOM 28283 N1 C A1322 239.854 110.113 19.808 0.00 0.00 N ATOM 28284 C2 C A1322 239.712 110.784 21.032 0.00 0.00 C ATOM 28285 O2 C A1322 240.182 111.904 21.202 0.00 0.00 O ATOM 28286 N3 C A1322 239.036 110.209 22.066 0.00 0.00 N ATOM 28287 C4 C A1322 238.545 108.994 21.889 0.00 0.00 C ATOM 28288 N4 C A1322 237.864 108.502 22.894 0.00 0.00 N ATOM 28289 C5 C A1322 238.732 108.239 20.684 0.00 0.00 C ATOM 28290 C6 C A1322 239.389 108.838 19.667 0.00 0.00 C ATOM 28291 P G A1323 243.905 112.861 16.584 0.00 0.00 P ATOM 28292 O1P G A1323 243.375 112.635 15.222 0.00 0.00 O ATOM 28293 O2P G A1323 245.297 112.514 16.926 0.00 0.00 O ATOM 28294 O5* G A1323 243.633 114.390 17.003 0.00 0.00 O ATOM 28295 C5* G A1323 242.354 114.935 16.770 0.00 0.00 C ATOM 28296 C4* G A1323 242.169 116.368 17.260 0.00 0.00 C ATOM 28297 O4* G A1323 242.407 116.492 18.652 0.00 0.00 O ATOM 28298 C3* G A1323 243.038 117.383 16.530 0.00 0.00 C ATOM 28299 O3* G A1323 242.456 117.701 15.271 0.00 0.00 O ATOM 28300 C2* G A1323 242.992 118.519 17.562 0.00 0.00 C ATOM 28301 O2* G A1323 241.756 119.225 17.565 0.00 0.00 O ATOM 28302 C1* G A1323 243.045 117.737 18.877 0.00 0.00 C ATOM 28303 N9 G A1323 244.428 117.495 19.349 0.00 0.00 N ATOM 28304 C8 G A1323 245.125 116.316 19.430 0.00 0.00 C ATOM 28305 N7 G A1323 246.259 116.409 20.070 0.00 0.00 N ATOM 28306 C5 G A1323 246.340 117.756 20.420 0.00 0.00 C ATOM 28307 C6 G A1323 247.328 118.488 21.169 0.00 0.00 C ATOM 28308 O6 G A1323 248.358 118.088 21.714 0.00 0.00 O ATOM 28309 N1 G A1323 247.023 119.836 21.271 0.00 0.00 N ATOM 28310 C2 G A1323 245.888 120.404 20.757 0.00 0.00 C ATOM 28311 N2 G A1323 245.707 121.691 20.921 0.00 0.00 N ATOM 28312 N3 G A1323 244.946 119.754 20.082 0.00 0.00 N ATOM 28313 C4 G A1323 245.232 118.429 19.947 0.00 0.00 C ATOM 28314 P A A1324 243.292 117.711 13.897 0.00 0.00 P ATOM 28315 O1P A A1324 242.325 117.649 12.773 0.00 0.00 O ATOM 28316 O2P A A1324 244.419 116.763 13.999 0.00 0.00 O ATOM 28317 O5* A A1324 243.909 119.186 13.951 0.00 0.00 O ATOM 28318 C5* A A1324 243.090 120.329 13.831 0.00 0.00 C ATOM 28319 C4* A A1324 243.782 121.534 14.469 0.00 0.00 C ATOM 28320 O4* A A1324 243.978 121.332 15.868 0.00 0.00 O ATOM 28321 C3* A A1324 245.155 121.845 13.876 0.00 0.00 C ATOM 28322 O3* A A1324 245.059 122.523 12.631 0.00 0.00 O ATOM 28323 C2* A A1324 245.741 122.668 15.032 0.00 0.00 C ATOM 28324 O2* A A1324 245.217 123.987 15.143 0.00 0.00 O ATOM 28325 C1* A A1324 245.237 121.879 16.241 0.00 0.00 C ATOM 28326 N9 A A1324 246.189 120.809 16.628 0.00 0.00 N ATOM 28327 C8 A A1324 246.168 119.467 16.326 0.00 0.00 C ATOM 28328 N7 A A1324 247.120 118.777 16.890 0.00 0.00 N ATOM 28329 C5 A A1324 247.831 119.735 17.614 0.00 0.00 C ATOM 28330 C6 A A1324 248.963 119.692 18.459 0.00 0.00 C ATOM 28331 N6 A A1324 249.590 118.576 18.787 0.00 0.00 N ATOM 28332 N1 A A1324 249.453 120.816 19.002 0.00 0.00 N ATOM 28333 C2 A A1324 248.822 121.955 18.732 0.00 0.00 C ATOM 28334 N3 A A1324 247.744 122.147 17.973 0.00 0.00 N ATOM 28335 C4 A A1324 247.289 120.980 17.438 0.00 0.00 C ATOM 28336 P C A1325 246.283 122.570 11.592 0.00 0.00 P ATOM 28337 O1P C A1325 245.869 123.379 10.430 0.00 0.00 O ATOM 28338 O2P C A1325 246.790 121.195 11.374 0.00 0.00 O ATOM 28339 O5* C A1325 247.439 123.328 12.382 0.00 0.00 O ATOM 28340 C5* C A1325 247.372 124.704 12.681 0.00 0.00 C ATOM 28341 C4* C A1325 248.559 125.082 13.569 0.00 0.00 C ATOM 28342 O4* C A1325 248.568 124.415 14.837 0.00 0.00 O ATOM 28343 C3* C A1325 249.902 124.760 12.916 0.00 0.00 C ATOM 28344 O3* C A1325 250.215 125.641 11.841 0.00 0.00 O ATOM 28345 C2* C A1325 250.773 124.884 14.170 0.00 0.00 C ATOM 28346 O2* C A1325 250.863 126.248 14.559 0.00 0.00 O ATOM 28347 C1* C A1325 249.924 124.138 15.211 0.00 0.00 C ATOM 28348 N1 C A1325 250.198 122.658 15.264 0.00 0.00 N ATOM 28349 C2 C A1325 251.266 122.170 16.042 0.00 0.00 C ATOM 28350 O2 C A1325 252.057 122.935 16.597 0.00 0.00 O ATOM 28351 N3 C A1325 251.463 120.825 16.183 0.00 0.00 N ATOM 28352 C4 C A1325 250.619 119.984 15.589 0.00 0.00 C ATOM 28353 N4 C A1325 250.781 118.692 15.770 0.00 0.00 N ATOM 28354 C5 C A1325 249.538 120.428 14.773 0.00 0.00 C ATOM 28355 C6 C A1325 249.372 121.763 14.626 0.00 0.00 C ATOM 28356 P U A1326 251.333 125.261 10.748 0.00 0.00 P ATOM 28357 O1P U A1326 251.432 126.332 9.725 0.00 0.00 O ATOM 28358 O2P U A1326 251.117 123.858 10.323 0.00 0.00 O ATOM 28359 O5* U A1326 252.669 125.297 11.625 0.00 0.00 O ATOM 28360 C5* U A1326 253.160 126.507 12.173 0.00 0.00 C ATOM 28361 C4* U A1326 254.434 126.227 12.965 0.00 0.00 C ATOM 28362 O4* U A1326 254.230 125.328 14.053 0.00 0.00 O ATOM 28363 C3* U A1326 255.513 125.602 12.091 0.00 0.00 C ATOM 28364 O3* U A1326 256.132 126.569 11.260 0.00 0.00 O ATOM 28365 C2* U A1326 256.413 125.038 13.188 0.00 0.00 C ATOM 28366 O2* U A1326 257.145 126.072 13.833 0.00 0.00 O ATOM 28367 C1* U A1326 255.386 124.505 14.194 0.00 0.00 C ATOM 28368 N1 U A1326 255.042 123.061 14.029 0.00 0.00 N ATOM 28369 C2 U A1326 255.874 122.124 14.652 0.00 0.00 C ATOM 28370 O2 U A1326 256.966 122.415 15.142 0.00 0.00 O ATOM 28371 N3 U A1326 255.427 120.818 14.682 0.00 0.00 N ATOM 28372 C4 U A1326 254.252 120.347 14.148 0.00 0.00 C ATOM 28373 O4 U A1326 253.982 119.153 14.242 0.00 0.00 O ATOM 28374 C5 U A1326 253.475 121.352 13.455 0.00 0.00 C ATOM 28375 C6 U A1326 253.879 122.649 13.406 0.00 0.00 C ATOM 28376 P C A1327 256.821 126.159 9.883 0.00 0.00 P ATOM 28377 O1P C A1327 257.373 127.393 9.278 0.00 0.00 O ATOM 28378 O2P C A1327 255.843 125.371 9.100 0.00 0.00 O ATOM 28379 O5* C A1327 258.027 125.199 10.321 0.00 0.00 O ATOM 28380 C5* C A1327 259.224 125.726 10.872 0.00 0.00 C ATOM 28381 C4* C A1327 260.195 124.615 11.302 0.00 0.00 C ATOM 28382 O4* C A1327 259.654 123.801 12.338 0.00 0.00 O ATOM 28383 C3* C A1327 260.546 123.666 10.166 0.00 0.00 C ATOM 28384 O3* C A1327 261.499 124.238 9.298 0.00 0.00 O ATOM 28385 C2* C A1327 261.024 122.431 10.940 0.00 0.00 C ATOM 28386 O2* C A1327 262.347 122.475 11.444 0.00 0.00 O ATOM 28387 C1* C A1327 260.134 122.465 12.178 0.00 0.00 C ATOM 28388 N1 C A1327 259.020 121.489 12.041 0.00 0.00 N ATOM 28389 C2 C A1327 259.237 120.138 12.364 0.00 0.00 C ATOM 28390 O2 C A1327 260.342 119.715 12.709 0.00 0.00 O ATOM 28391 N3 C A1327 258.201 119.259 12.303 0.00 0.00 N ATOM 28392 C4 C A1327 256.999 119.699 11.955 0.00 0.00 C ATOM 28393 N4 C A1327 256.026 118.823 11.947 0.00 0.00 N ATOM 28394 C5 C A1327 256.746 121.042 11.554 0.00 0.00 C ATOM 28395 C6 C A1327 257.791 121.899 11.588 0.00 0.00 C ATOM 28396 P C A1328 261.669 123.733 7.797 0.00 0.00 P ATOM 28397 O1P C A1328 262.674 124.605 7.155 0.00 0.00 O ATOM 28398 O2P C A1328 260.323 123.598 7.199 0.00 0.00 O ATOM 28399 O5* C A1328 262.292 122.257 8.010 0.00 0.00 O ATOM 28400 C5* C A1328 263.634 122.084 8.431 0.00 0.00 C ATOM 28401 C4* C A1328 264.002 120.593 8.545 0.00 0.00 C ATOM 28402 O4* C A1328 263.318 119.948 9.623 0.00 0.00 O ATOM 28403 C3* C A1328 263.692 119.757 7.303 0.00 0.00 C ATOM 28404 O3* C A1328 264.617 119.969 6.248 0.00 0.00 O ATOM 28405 C2* C A1328 263.758 118.355 7.926 0.00 0.00 C ATOM 28406 O2* C A1328 265.082 117.895 8.172 0.00 0.00 O ATOM 28407 C1* C A1328 263.103 118.569 9.291 0.00 0.00 C ATOM 28408 N1 C A1328 261.649 118.217 9.271 0.00 0.00 N ATOM 28409 C2 C A1328 261.237 116.893 9.524 0.00 0.00 C ATOM 28410 O2 C A1328 262.050 115.975 9.673 0.00 0.00 O ATOM 28411 N3 C A1328 259.908 116.600 9.601 0.00 0.00 N ATOM 28412 C4 C A1328 259.017 117.578 9.439 0.00 0.00 C ATOM 28413 N4 C A1328 257.745 117.279 9.560 0.00 0.00 N ATOM 28414 C5 C A1328 259.386 118.920 9.140 0.00 0.00 C ATOM 28415 C6 C A1328 260.708 119.189 9.035 0.00 0.00 C ATOM 28416 P A A1329 264.312 119.491 4.748 0.00 0.00 P ATOM 28417 O1P A A1329 265.528 119.795 3.963 0.00 0.00 O ATOM 28418 O2P A A1329 263.028 120.074 4.344 0.00 0.00 O ATOM 28419 O5* A A1329 264.111 117.911 4.850 0.00 0.00 O ATOM 28420 C5* A A1329 265.192 117.017 4.963 0.00 0.00 C ATOM 28421 C4* A A1329 264.667 115.602 5.193 0.00 0.00 C ATOM 28422 O4* A A1329 263.903 115.502 6.395 0.00 0.00 O ATOM 28423 C3* A A1329 263.742 115.122 4.084 0.00 0.00 C ATOM 28424 O3* A A1329 264.403 114.803 2.879 0.00 0.00 O ATOM 28425 C2* A A1329 263.114 113.931 4.812 0.00 0.00 C ATOM 28426 O2* A A1329 263.995 112.834 5.036 0.00 0.00 O ATOM 28427 C1* A A1329 262.860 114.551 6.181 0.00 0.00 C ATOM 28428 N9 A A1329 261.504 115.153 6.212 0.00 0.00 N ATOM 28429 C8 A A1329 261.108 116.461 6.067 0.00 0.00 C ATOM 28430 N7 A A1329 259.823 116.651 6.201 0.00 0.00 N ATOM 28431 C5 A A1329 259.322 115.356 6.364 0.00 0.00 C ATOM 28432 C6 A A1329 258.027 114.800 6.495 0.00 0.00 C ATOM 28433 N6 A A1329 256.912 115.512 6.560 0.00 0.00 N ATOM 28434 N1 A A1329 257.859 113.471 6.523 0.00 0.00 N ATOM 28435 C2 A A1329 258.943 112.703 6.486 0.00 0.00 C ATOM 28436 N3 A A1329 260.213 113.084 6.415 0.00 0.00 N ATOM 28437 C4 A A1329 260.337 114.439 6.342 0.00 0.00 C ATOM 28438 P U A1330 263.608 114.851 1.479 0.00 0.00 P ATOM 28439 O1P U A1330 264.526 114.403 0.417 0.00 0.00 O ATOM 28440 O2P U A1330 262.934 116.164 1.389 0.00 0.00 O ATOM 28441 O5* U A1330 262.454 113.746 1.670 0.00 0.00 O ATOM 28442 C5* U A1330 262.740 112.371 1.835 0.00 0.00 C ATOM 28443 C4* U A1330 261.455 111.585 2.113 0.00 0.00 C ATOM 28444 O4* U A1330 260.711 112.155 3.184 0.00 0.00 O ATOM 28445 C3* U A1330 260.525 111.521 0.909 0.00 0.00 C ATOM 28446 O3* U A1330 260.857 110.462 0.026 0.00 0.00 O ATOM 28447 C2* U A1330 259.183 111.267 1.603 0.00 0.00 C ATOM 28448 O2* U A1330 258.994 109.902 1.968 0.00 0.00 O ATOM 28449 C1* U A1330 259.322 112.070 2.898 0.00 0.00 C ATOM 28450 N1 U A1330 258.668 113.410 2.824 0.00 0.00 N ATOM 28451 C2 U A1330 257.295 113.462 3.083 0.00 0.00 C ATOM 28452 O2 U A1330 256.598 112.460 3.232 0.00 0.00 O ATOM 28453 N3 U A1330 256.716 114.712 3.179 0.00 0.00 N ATOM 28454 C4 U A1330 257.374 115.913 3.064 0.00 0.00 C ATOM 28455 O4 U A1330 256.760 116.955 3.256 0.00 0.00 O ATOM 28456 C5 U A1330 258.773 115.788 2.716 0.00 0.00 C ATOM 28457 C6 U A1330 259.374 114.575 2.604 0.00 0.00 C ATOM 28458 P G A1331 261.257 110.721 -1.500 0.00 0.00 P ATOM 28459 O1P G A1331 261.353 109.397 -2.156 0.00 0.00 O ATOM 28460 O2P G A1331 262.412 111.633 -1.521 0.00 0.00 O ATOM 28461 O5* G A1331 259.951 111.507 -2.019 0.00 0.00 O ATOM 28462 C5* G A1331 258.677 110.892 -2.016 0.00 0.00 C ATOM 28463 C4* G A1331 257.565 111.941 -2.115 0.00 0.00 C ATOM 28464 O4* G A1331 257.619 112.901 -1.049 0.00 0.00 O ATOM 28465 C3* G A1331 257.582 112.749 -3.412 0.00 0.00 C ATOM 28466 O3* G A1331 257.232 111.956 -4.553 0.00 0.00 O ATOM 28467 C2* G A1331 256.667 113.881 -2.955 0.00 0.00 C ATOM 28468 O2* G A1331 255.323 113.469 -2.917 0.00 0.00 O ATOM 28469 C1* G A1331 256.912 114.067 -1.464 0.00 0.00 C ATOM 28470 N9 G A1331 257.515 115.350 -1.045 0.00 0.00 N ATOM 28471 C8 G A1331 258.814 115.770 -1.145 0.00 0.00 C ATOM 28472 N7 G A1331 259.021 116.958 -0.649 0.00 0.00 N ATOM 28473 C5 G A1331 257.772 117.365 -0.168 0.00 0.00 C ATOM 28474 C6 G A1331 257.352 118.564 0.517 0.00 0.00 C ATOM 28475 O6 G A1331 258.008 119.541 0.867 0.00 0.00 O ATOM 28476 N1 G A1331 256.000 118.589 0.825 0.00 0.00 N ATOM 28477 C2 G A1331 255.160 117.537 0.582 0.00 0.00 C ATOM 28478 N2 G A1331 253.909 117.669 0.980 0.00 0.00 N ATOM 28479 N3 G A1331 255.516 116.400 -0.035 0.00 0.00 N ATOM 28480 C4 G A1331 256.841 116.374 -0.399 0.00 0.00 C ATOM 28481 P A A1332 256.065 112.231 -5.668 0.00 0.00 P ATOM 28482 O1P A A1332 256.503 111.566 -6.906 0.00 0.00 O ATOM 28483 O2P A A1332 255.654 113.665 -5.718 0.00 0.00 O ATOM 28484 O5* A A1332 254.822 111.381 -5.087 0.00 0.00 O ATOM 28485 C5* A A1332 254.931 109.987 -4.826 0.00 0.00 C ATOM 28486 C4* A A1332 253.573 109.312 -4.557 0.00 0.00 C ATOM 28487 O4* A A1332 252.936 109.748 -3.360 0.00 0.00 O ATOM 28488 C3* A A1332 252.596 109.513 -5.709 0.00 0.00 C ATOM 28489 O3* A A1332 252.781 108.497 -6.678 0.00 0.00 O ATOM 28490 C2* A A1332 251.242 109.469 -4.990 0.00 0.00 C ATOM 28491 O2* A A1332 250.775 108.152 -4.722 0.00 0.00 O ATOM 28492 C1* A A1332 251.587 110.107 -3.645 0.00 0.00 C ATOM 28493 N9 A A1332 251.480 111.585 -3.646 0.00 0.00 N ATOM 28494 C8 A A1332 252.492 112.493 -3.478 0.00 0.00 C ATOM 28495 N7 A A1332 252.115 113.743 -3.412 0.00 0.00 N ATOM 28496 C5 A A1332 250.723 113.634 -3.508 0.00 0.00 C ATOM 28497 C6 A A1332 249.665 114.564 -3.448 0.00 0.00 C ATOM 28498 N6 A A1332 249.851 115.865 -3.315 0.00 0.00 N ATOM 28499 N1 A A1332 248.391 114.164 -3.495 0.00 0.00 N ATOM 28500 C2 A A1332 248.154 112.864 -3.623 0.00 0.00 C ATOM 28501 N3 A A1332 249.040 111.871 -3.690 0.00 0.00 N ATOM 28502 C4 A A1332 250.324 112.329 -3.628 0.00 0.00 C ATOM 28503 P A A1333 252.557 108.788 -8.235 0.00 0.00 P ATOM 28504 O1P A A1333 252.771 107.529 -8.979 0.00 0.00 O ATOM 28505 O2P A A1333 253.302 110.012 -8.582 0.00 0.00 O ATOM 28506 O5* A A1333 251.000 109.139 -8.250 0.00 0.00 O ATOM 28507 C5* A A1333 250.028 108.121 -8.164 0.00 0.00 C ATOM 28508 C4* A A1333 248.653 108.768 -8.126 0.00 0.00 C ATOM 28509 O4* A A1333 248.511 109.592 -6.968 0.00 0.00 O ATOM 28510 C3* A A1333 248.389 109.641 -9.357 0.00 0.00 C ATOM 28511 O3* A A1333 247.937 108.920 -10.496 0.00 0.00 O ATOM 28512 C2* A A1333 247.265 110.468 -8.757 0.00 0.00 C ATOM 28513 O2* A A1333 246.088 109.672 -8.767 0.00 0.00 O ATOM 28514 C1* A A1333 247.704 110.706 -7.309 0.00 0.00 C ATOM 28515 N9 A A1333 248.456 111.979 -7.153 0.00 0.00 N ATOM 28516 C8 A A1333 249.816 112.196 -7.157 0.00 0.00 C ATOM 28517 N7 A A1333 250.171 113.438 -6.951 0.00 0.00 N ATOM 28518 C5 A A1333 248.945 114.098 -6.848 0.00 0.00 C ATOM 28519 C6 A A1333 248.576 115.448 -6.673 0.00 0.00 C ATOM 28520 N6 A A1333 249.442 116.441 -6.568 0.00 0.00 N ATOM 28521 N1 A A1333 247.286 115.794 -6.590 0.00 0.00 N ATOM 28522 C2 A A1333 246.373 114.834 -6.678 0.00 0.00 C ATOM 28523 N3 A A1333 246.563 113.524 -6.867 0.00 0.00 N ATOM 28524 C4 A A1333 247.894 113.220 -6.947 0.00 0.00 C ATOM 28525 P G A1334 247.879 109.577 -11.967 0.00 0.00 P ATOM 28526 O1P G A1334 246.894 108.804 -12.754 0.00 0.00 O ATOM 28527 O2P G A1334 249.275 109.673 -12.432 0.00 0.00 O ATOM 28528 O5* G A1334 247.314 111.091 -11.783 0.00 0.00 O ATOM 28529 C5* G A1334 245.928 111.401 -11.738 0.00 0.00 C ATOM 28530 C4* G A1334 245.669 112.876 -11.365 0.00 0.00 C ATOM 28531 O4* G A1334 246.257 113.226 -10.112 0.00 0.00 O ATOM 28532 C3* G A1334 246.132 113.924 -12.381 0.00 0.00 C ATOM 28533 O3* G A1334 245.111 114.332 -13.270 0.00 0.00 O ATOM 28534 C2* G A1334 246.439 115.107 -11.459 0.00 0.00 C ATOM 28535 O2* G A1334 245.278 115.796 -10.997 0.00 0.00 O ATOM 28536 C1* G A1334 246.996 114.436 -10.221 0.00 0.00 C ATOM 28537 N9 G A1334 248.478 114.288 -10.261 0.00 0.00 N ATOM 28538 C8 G A1334 249.276 113.174 -10.355 0.00 0.00 C ATOM 28539 N7 G A1334 250.552 113.416 -10.205 0.00 0.00 N ATOM 28540 C5 G A1334 250.629 114.798 -10.044 0.00 0.00 C ATOM 28541 C6 G A1334 251.750 115.695 -9.893 0.00 0.00 C ATOM 28542 O6 G A1334 252.962 115.478 -9.857 0.00 0.00 O ATOM 28543 N1 G A1334 251.365 117.017 -9.792 0.00 0.00 N ATOM 28544 C2 G A1334 250.071 117.435 -9.796 0.00 0.00 C ATOM 28545 N2 G A1334 249.850 118.714 -9.669 0.00 0.00 N ATOM 28546 N3 G A1334 249.016 116.647 -9.965 0.00 0.00 N ATOM 28547 C4 G A1334 249.357 115.332 -10.085 0.00 0.00 C ATOM 28548 P U A1335 245.152 114.015 -14.835 0.00 0.00 P ATOM 28549 O1P U A1335 243.853 114.495 -15.359 0.00 0.00 O ATOM 28550 O2P U A1335 245.571 112.614 -15.023 0.00 0.00 O ATOM 28551 O5* U A1335 246.314 114.985 -15.395 0.00 0.00 O ATOM 28552 C5* U A1335 246.164 116.395 -15.419 0.00 0.00 C ATOM 28553 C4* U A1335 247.180 117.044 -16.371 0.00 0.00 C ATOM 28554 O4* U A1335 248.516 116.786 -15.972 0.00 0.00 O ATOM 28555 C3* U A1335 247.028 116.548 -17.805 0.00 0.00 C ATOM 28556 O3* U A1335 246.003 117.299 -18.438 0.00 0.00 O ATOM 28557 C2* U A1335 248.444 116.747 -18.374 0.00 0.00 C ATOM 28558 O2* U A1335 248.579 117.952 -19.112 0.00 0.00 O ATOM 28559 C1* U A1335 249.342 116.869 -17.128 0.00 0.00 C ATOM 28560 N1 U A1335 250.432 115.850 -17.065 0.00 0.00 N ATOM 28561 C2 U A1335 251.748 116.248 -17.344 0.00 0.00 C ATOM 28562 O2 U A1335 252.026 117.341 -17.820 0.00 0.00 O ATOM 28563 N3 U A1335 252.755 115.328 -17.098 0.00 0.00 N ATOM 28564 C4 U A1335 252.556 114.013 -16.730 0.00 0.00 C ATOM 28565 O4 U A1335 253.510 113.261 -16.600 0.00 0.00 O ATOM 28566 C5 U A1335 251.167 113.651 -16.538 0.00 0.00 C ATOM 28567 C6 U A1335 250.164 114.552 -16.695 0.00 0.00 C ATOM 28568 P C A1336 245.287 116.818 -19.792 0.00 0.00 P ATOM 28569 O1P C A1336 245.459 115.358 -19.949 0.00 0.00 O ATOM 28570 O2P C A1336 245.651 117.739 -20.887 0.00 0.00 O ATOM 28571 O5* C A1336 243.762 117.117 -19.398 0.00 0.00 O ATOM 28572 C5* C A1336 243.060 116.320 -18.463 0.00 0.00 C ATOM 28573 C4* C A1336 241.950 117.135 -17.787 0.00 0.00 C ATOM 28574 O4* C A1336 242.521 117.983 -16.800 0.00 0.00 O ATOM 28575 C3* C A1336 241.185 118.045 -18.750 0.00 0.00 C ATOM 28576 O3* C A1336 239.848 118.122 -18.287 0.00 0.00 O ATOM 28577 C2* C A1336 241.890 119.394 -18.570 0.00 0.00 C ATOM 28578 O2* C A1336 241.097 120.512 -18.960 0.00 0.00 O ATOM 28579 C1* C A1336 242.166 119.327 -17.066 0.00 0.00 C ATOM 28580 N1 C A1336 243.254 120.230 -16.600 0.00 0.00 N ATOM 28581 C2 C A1336 242.922 121.485 -16.085 0.00 0.00 C ATOM 28582 O2 C A1336 241.766 121.888 -16.173 0.00 0.00 O ATOM 28583 N3 C A1336 243.888 122.272 -15.536 0.00 0.00 N ATOM 28584 C4 C A1336 245.146 121.869 -15.577 0.00 0.00 C ATOM 28585 N4 C A1336 246.036 122.664 -15.030 0.00 0.00 N ATOM 28586 C5 C A1336 245.545 120.650 -16.200 0.00 0.00 C ATOM 28587 C6 C A1336 244.567 119.850 -16.685 0.00 0.00 C ATOM 28588 P G A1337 238.627 118.254 -19.302 0.00 0.00 P ATOM 28589 O1P G A1337 239.163 118.403 -20.672 0.00 0.00 O ATOM 28590 O2P G A1337 237.798 119.385 -18.842 0.00 0.00 O ATOM 28591 O5* G A1337 237.870 116.869 -19.139 0.00 0.00 O ATOM 28592 C5* G A1337 238.448 115.664 -19.607 0.00 0.00 C ATOM 28593 C4* G A1337 238.229 114.538 -18.589 0.00 0.00 C ATOM 28594 O4* G A1337 239.143 114.725 -17.510 0.00 0.00 O ATOM 28595 C3* G A1337 236.814 114.455 -17.996 0.00 0.00 C ATOM 28596 O3* G A1337 235.956 113.533 -18.645 0.00 0.00 O ATOM 28597 C2* G A1337 237.110 114.015 -16.554 0.00 0.00 C ATOM 28598 O2* G A1337 237.364 112.619 -16.412 0.00 0.00 O ATOM 28599 C1* G A1337 238.446 114.704 -16.272 0.00 0.00 C ATOM 28600 N9 G A1337 238.393 116.077 -15.692 0.00 0.00 N ATOM 28601 C8 G A1337 237.362 116.986 -15.598 0.00 0.00 C ATOM 28602 N7 G A1337 237.677 118.117 -15.010 0.00 0.00 N ATOM 28603 C5 G A1337 239.017 117.937 -14.664 0.00 0.00 C ATOM 28604 C6 G A1337 239.946 118.814 -13.999 0.00 0.00 C ATOM 28605 O6 G A1337 239.778 119.972 -13.609 0.00 0.00 O ATOM 28606 N1 G A1337 241.186 118.243 -13.798 0.00 0.00 N ATOM 28607 C2 G A1337 241.498 116.979 -14.182 0.00 0.00 C ATOM 28608 N2 G A1337 242.719 116.603 -13.926 0.00 0.00 N ATOM 28609 N3 G A1337 240.673 116.139 -14.809 0.00 0.00 N ATOM 28610 C4 G A1337 239.442 116.680 -15.036 0.00 0.00 C ATOM 28611 P G A1338 235.141 113.912 -19.975 0.00 0.00 P ATOM 28612 O1P G A1338 236.086 114.174 -21.078 0.00 0.00 O ATOM 28613 O2P G A1338 234.088 114.891 -19.629 0.00 0.00 O ATOM 28614 O5* G A1338 234.411 112.520 -20.241 0.00 0.00 O ATOM 28615 C5* G A1338 234.889 111.599 -21.202 0.00 0.00 C ATOM 28616 C4* G A1338 234.015 110.343 -21.189 0.00 0.00 C ATOM 28617 O4* G A1338 234.282 109.538 -20.047 0.00 0.00 O ATOM 28618 C3* G A1338 232.525 110.676 -21.159 0.00 0.00 C ATOM 28619 O3* G A1338 232.061 111.040 -22.452 0.00 0.00 O ATOM 28620 C2* G A1338 231.965 109.381 -20.560 0.00 0.00 C ATOM 28621 O2* G A1338 231.851 108.331 -21.506 0.00 0.00 O ATOM 28622 C1* G A1338 233.065 108.970 -19.572 0.00 0.00 C ATOM 28623 N9 G A1338 232.832 109.417 -18.171 0.00 0.00 N ATOM 28624 C8 G A1338 233.338 110.527 -17.541 0.00 0.00 C ATOM 28625 N7 G A1338 233.072 110.593 -16.266 0.00 0.00 N ATOM 28626 C5 G A1338 232.336 109.436 -16.011 0.00 0.00 C ATOM 28627 C6 G A1338 231.768 108.926 -14.788 0.00 0.00 C ATOM 28628 O6 G A1338 231.766 109.417 -13.660 0.00 0.00 O ATOM 28629 N1 G A1338 231.130 107.705 -14.943 0.00 0.00 N ATOM 28630 C2 G A1338 231.034 107.058 -16.147 0.00 0.00 C ATOM 28631 N2 G A1338 230.423 105.890 -16.167 0.00 0.00 N ATOM 28632 N3 G A1338 231.540 107.509 -17.301 0.00 0.00 N ATOM 28633 C4 G A1338 232.184 108.709 -17.175 0.00 0.00 C ATOM 28634 P A A1339 230.817 112.029 -22.631 0.00 0.00 P ATOM 28635 O1P A A1339 230.558 112.370 -24.041 0.00 0.00 O ATOM 28636 O2P A A1339 230.883 113.166 -21.695 0.00 0.00 O ATOM 28637 O5* A A1339 229.566 111.186 -22.149 0.00 0.00 O ATOM 28638 C5* A A1339 229.016 110.150 -22.932 0.00 0.00 C ATOM 28639 C4* A A1339 228.056 109.342 -22.060 0.00 0.00 C ATOM 28640 O4* A A1339 228.771 108.734 -20.987 0.00 0.00 O ATOM 28641 C3* A A1339 226.946 110.180 -21.423 0.00 0.00 C ATOM 28642 O3* A A1339 225.868 110.450 -22.297 0.00 0.00 O ATOM 28643 C2* A A1339 226.574 109.271 -20.247 0.00 0.00 C ATOM 28644 O2* A A1339 225.798 108.138 -20.612 0.00 0.00 O ATOM 28645 C1* A A1339 227.960 108.789 -19.822 0.00 0.00 C ATOM 28646 N9 A A1339 228.535 109.702 -18.807 0.00 0.00 N ATOM 28647 C8 A A1339 229.216 110.893 -18.950 0.00 0.00 C ATOM 28648 N7 A A1339 229.581 111.442 -17.825 0.00 0.00 N ATOM 28649 C5 A A1339 229.044 110.578 -16.871 0.00 0.00 C ATOM 28650 C6 A A1339 228.997 110.582 -15.465 0.00 0.00 C ATOM 28651 N6 A A1339 229.551 111.529 -14.740 0.00 0.00 N ATOM 28652 N1 A A1339 228.410 109.583 -14.795 0.00 0.00 N ATOM 28653 C2 A A1339 227.858 108.604 -15.500 0.00 0.00 C ATOM 28654 N3 A A1339 227.802 108.476 -16.823 0.00 0.00 N ATOM 28655 C4 A A1339 228.423 109.511 -17.455 0.00 0.00 C ATOM 28656 P A A1340 225.355 111.952 -22.542 0.00 0.00 P ATOM 28657 O1P A A1340 224.186 111.898 -23.443 0.00 0.00 O ATOM 28658 O2P A A1340 226.541 112.795 -22.873 0.00 0.00 O ATOM 28659 O5* A A1340 224.852 112.368 -21.066 0.00 0.00 O ATOM 28660 C5* A A1340 223.791 111.703 -20.403 0.00 0.00 C ATOM 28661 C4* A A1340 223.899 111.896 -18.880 0.00 0.00 C ATOM 28662 O4* A A1340 225.209 111.572 -18.418 0.00 0.00 O ATOM 28663 C3* A A1340 223.595 113.301 -18.370 0.00 0.00 C ATOM 28664 O3* A A1340 222.198 113.532 -18.216 0.00 0.00 O ATOM 28665 C2* A A1340 224.367 113.261 -17.041 0.00 0.00 C ATOM 28666 O2* A A1340 223.722 112.495 -16.024 0.00 0.00 O ATOM 28667 C1* A A1340 225.624 112.484 -17.420 0.00 0.00 C ATOM 28668 N9 A A1340 226.720 113.358 -17.907 0.00 0.00 N ATOM 28669 C8 A A1340 227.164 113.589 -19.190 0.00 0.00 C ATOM 28670 N7 A A1340 228.161 114.430 -19.273 0.00 0.00 N ATOM 28671 C5 A A1340 228.407 114.764 -17.937 0.00 0.00 C ATOM 28672 C6 A A1340 229.317 115.628 -17.285 0.00 0.00 C ATOM 28673 N6 A A1340 230.216 116.367 -17.914 0.00 0.00 N ATOM 28674 N1 A A1340 229.294 115.761 -15.950 0.00 0.00 N ATOM 28675 C2 A A1340 228.421 115.026 -15.269 0.00 0.00 C ATOM 28676 N3 A A1340 227.507 114.184 -15.742 0.00 0.00 N ATOM 28677 C4 A A1340 227.549 114.102 -17.101 0.00 0.00 C ATOM 28678 P U A1341 221.595 115.028 -18.204 0.00 0.00 P ATOM 28679 O1P U A1341 220.137 114.958 -17.958 0.00 0.00 O ATOM 28680 O2P U A1341 222.107 115.744 -19.388 0.00 0.00 O ATOM 28681 O5* U A1341 222.281 115.709 -16.924 0.00 0.00 O ATOM 28682 C5* U A1341 221.968 115.338 -15.596 0.00 0.00 C ATOM 28683 C4* U A1341 222.906 116.084 -14.637 0.00 0.00 C ATOM 28684 O4* U A1341 224.271 115.754 -14.878 0.00 0.00 O ATOM 28685 C3* U A1341 222.818 117.602 -14.769 0.00 0.00 C ATOM 28686 O3* U A1341 221.660 118.131 -14.149 0.00 0.00 O ATOM 28687 C2* U A1341 224.157 118.001 -14.139 0.00 0.00 C ATOM 28688 O2* U A1341 224.215 117.859 -12.726 0.00 0.00 O ATOM 28689 C1* U A1341 225.079 116.915 -14.695 0.00 0.00 C ATOM 28690 N1 U A1341 225.763 117.373 -15.943 0.00 0.00 N ATOM 28691 C2 U A1341 226.867 118.221 -15.798 0.00 0.00 C ATOM 28692 O2 U A1341 227.281 118.601 -14.703 0.00 0.00 O ATOM 28693 N3 U A1341 227.476 118.667 -16.958 0.00 0.00 N ATOM 28694 C4 U A1341 227.079 118.375 -18.242 0.00 0.00 C ATOM 28695 O4 U A1341 227.657 118.886 -19.194 0.00 0.00 O ATOM 28696 C5 U A1341 225.938 117.489 -18.318 0.00 0.00 C ATOM 28697 C6 U A1341 225.318 117.025 -17.202 0.00 0.00 C ATOM 28698 P C A1342 221.182 119.642 -14.400 0.00 0.00 P ATOM 28699 O1P C A1342 219.775 119.748 -13.964 0.00 0.00 O ATOM 28700 O2P C A1342 221.525 120.024 -15.797 0.00 0.00 O ATOM 28701 O5* C A1342 222.119 120.496 -13.405 0.00 0.00 O ATOM 28702 C5* C A1342 221.988 120.426 -11.991 0.00 0.00 C ATOM 28703 C4* C A1342 222.994 121.330 -11.245 0.00 0.00 C ATOM 28704 O4* C A1342 224.366 121.033 -11.533 0.00 0.00 O ATOM 28705 C3* C A1342 222.790 122.805 -11.570 0.00 0.00 C ATOM 28706 O3* C A1342 221.741 123.374 -10.809 0.00 0.00 O ATOM 28707 C2* C A1342 224.172 123.391 -11.269 0.00 0.00 C ATOM 28708 O2* C A1342 224.425 123.642 -9.902 0.00 0.00 O ATOM 28709 C1* C A1342 225.106 122.257 -11.681 0.00 0.00 C ATOM 28710 N1 C A1342 225.585 122.465 -13.082 0.00 0.00 N ATOM 28711 C2 C A1342 226.581 123.425 -13.368 0.00 0.00 C ATOM 28712 O2 C A1342 227.113 124.103 -12.482 0.00 0.00 O ATOM 28713 N3 C A1342 226.999 123.597 -14.656 0.00 0.00 N ATOM 28714 C4 C A1342 226.467 122.844 -15.616 0.00 0.00 C ATOM 28715 N4 C A1342 226.897 122.997 -16.846 0.00 0.00 N ATOM 28716 C5 C A1342 225.471 121.857 -15.373 0.00 0.00 C ATOM 28717 C6 C A1342 225.052 121.710 -14.098 0.00 0.00 C ATOM 28718 P G A1343 221.043 124.747 -11.254 0.00 0.00 P ATOM 28719 O1P G A1343 219.849 124.966 -10.408 0.00 0.00 O ATOM 28720 O2P G A1343 220.940 124.742 -12.727 0.00 0.00 O ATOM 28721 O5* G A1343 222.167 125.813 -10.851 0.00 0.00 O ATOM 28722 C5* G A1343 222.437 126.151 -9.506 0.00 0.00 C ATOM 28723 C4* G A1343 223.574 127.172 -9.498 0.00 0.00 C ATOM 28724 O4* G A1343 224.741 126.676 -10.161 0.00 0.00 O ATOM 28725 C3* G A1343 223.158 128.473 -10.189 0.00 0.00 C ATOM 28726 O3* G A1343 222.393 129.294 -9.317 0.00 0.00 O ATOM 28727 C2* G A1343 224.539 129.020 -10.550 0.00 0.00 C ATOM 28728 O2* G A1343 225.233 129.589 -9.447 0.00 0.00 O ATOM 28729 C1* G A1343 225.283 127.743 -10.939 0.00 0.00 C ATOM 28730 N9 G A1343 225.234 127.465 -12.392 0.00 0.00 N ATOM 28731 C8 G A1343 224.447 126.610 -13.124 0.00 0.00 C ATOM 28732 N7 G A1343 224.813 126.489 -14.373 0.00 0.00 N ATOM 28733 C5 G A1343 225.883 127.381 -14.501 0.00 0.00 C ATOM 28734 C6 G A1343 226.691 127.768 -15.630 0.00 0.00 C ATOM 28735 O6 G A1343 226.674 127.365 -16.792 0.00 0.00 O ATOM 28736 N1 G A1343 227.620 128.747 -15.321 0.00 0.00 N ATOM 28737 C2 G A1343 227.772 129.295 -14.079 0.00 0.00 C ATOM 28738 N2 G A1343 228.677 130.234 -13.939 0.00 0.00 N ATOM 28739 N3 G A1343 227.051 128.954 -13.012 0.00 0.00 N ATOM 28740 C4 G A1343 226.120 127.997 -13.291 0.00 0.00 C ATOM 28741 P C A1344 221.173 130.217 -9.836 0.00 0.00 P ATOM 28742 O1P C A1344 220.326 130.542 -8.669 0.00 0.00 O ATOM 28743 O2P C A1344 220.580 129.604 -11.047 0.00 0.00 O ATOM 28744 O5* C A1344 221.910 131.547 -10.343 0.00 0.00 O ATOM 28745 C5* C A1344 222.729 132.352 -9.525 0.00 0.00 C ATOM 28746 C4* C A1344 223.700 133.150 -10.411 0.00 0.00 C ATOM 28747 O4* C A1344 224.632 132.281 -11.070 0.00 0.00 O ATOM 28748 C3* C A1344 223.024 133.963 -11.519 0.00 0.00 C ATOM 28749 O3* C A1344 222.448 135.184 -11.078 0.00 0.00 O ATOM 28750 C2* C A1344 224.224 134.151 -12.455 0.00 0.00 C ATOM 28751 O2* C A1344 225.134 135.129 -11.947 0.00 0.00 O ATOM 28752 C1* C A1344 224.885 132.764 -12.393 0.00 0.00 C ATOM 28753 N1 C A1344 224.398 131.805 -13.447 0.00 0.00 N ATOM 28754 C2 C A1344 225.107 131.696 -14.659 0.00 0.00 C ATOM 28755 O2 C A1344 226.017 132.479 -14.945 0.00 0.00 O ATOM 28756 N3 C A1344 224.792 130.719 -15.559 0.00 0.00 N ATOM 28757 C4 C A1344 223.801 129.876 -15.283 0.00 0.00 C ATOM 28758 N4 C A1344 223.528 128.923 -16.144 0.00 0.00 N ATOM 28759 C5 C A1344 223.043 129.960 -14.084 0.00 0.00 C ATOM 28760 C6 C A1344 223.350 130.945 -13.210 0.00 0.00 C ATOM 28761 P U A1345 221.353 135.937 -11.972 0.00 0.00 P ATOM 28762 O1P U A1345 220.905 137.153 -11.249 0.00 0.00 O ATOM 28763 O2P U A1345 220.345 134.960 -12.416 0.00 0.00 O ATOM 28764 O5* U A1345 222.153 136.432 -13.269 0.00 0.00 O ATOM 28765 C5* U A1345 223.145 137.445 -13.198 0.00 0.00 C ATOM 28766 C4* U A1345 222.901 138.562 -14.220 0.00 0.00 C ATOM 28767 O4* U A1345 223.128 138.030 -15.515 0.00 0.00 O ATOM 28768 C3* U A1345 221.480 139.140 -14.199 0.00 0.00 C ATOM 28769 O3* U A1345 221.522 140.518 -14.552 0.00 0.00 O ATOM 28770 C2* U A1345 220.787 138.311 -15.282 0.00 0.00 C ATOM 28771 O2* U A1345 219.643 138.955 -15.828 0.00 0.00 O ATOM 28772 C1* U A1345 221.935 138.135 -16.277 0.00 0.00 C ATOM 28773 N1 U A1345 221.839 137.000 -17.238 0.00 0.00 N ATOM 28774 C2 U A1345 222.772 136.999 -18.282 0.00 0.00 C ATOM 28775 O2 U A1345 223.703 137.801 -18.363 0.00 0.00 O ATOM 28776 N3 U A1345 222.577 136.082 -19.295 0.00 0.00 N ATOM 28777 C4 U A1345 221.500 135.229 -19.415 0.00 0.00 C ATOM 28778 O4 U A1345 221.346 134.554 -20.422 0.00 0.00 O ATOM 28779 C5 U A1345 220.601 135.251 -18.284 0.00 0.00 C ATOM 28780 C6 U A1345 220.786 136.102 -17.242 0.00 0.00 C ATOM 28781 P A A1346 221.409 141.680 -13.456 0.00 0.00 P ATOM 28782 O1P A A1346 220.740 141.137 -12.250 0.00 0.00 O ATOM 28783 O2P A A1346 220.857 142.885 -14.113 0.00 0.00 O ATOM 28784 O5* A A1346 222.931 142.002 -13.082 0.00 0.00 O ATOM 28785 C5* A A1346 223.319 142.404 -11.771 0.00 0.00 C ATOM 28786 C4* A A1346 224.652 143.158 -11.825 0.00 0.00 C ATOM 28787 O4* A A1346 225.572 142.350 -12.530 0.00 0.00 O ATOM 28788 C3* A A1346 224.542 144.459 -12.629 0.00 0.00 C ATOM 28789 O3* A A1346 223.912 145.587 -12.006 0.00 0.00 O ATOM 28790 C2* A A1346 225.887 144.575 -13.371 0.00 0.00 C ATOM 28791 O2* A A1346 226.854 145.492 -12.919 0.00 0.00 O ATOM 28792 C1* A A1346 226.506 143.187 -13.173 0.00 0.00 C ATOM 28793 N9 A A1346 226.942 142.575 -14.448 0.00 0.00 N ATOM 28794 C8 A A1346 226.495 141.428 -15.063 0.00 0.00 C ATOM 28795 N7 A A1346 227.090 141.155 -16.194 0.00 0.00 N ATOM 28796 C5 A A1346 228.014 142.202 -16.325 0.00 0.00 C ATOM 28797 C6 A A1346 228.963 142.584 -17.303 0.00 0.00 C ATOM 28798 N6 A A1346 229.206 141.928 -18.416 0.00 0.00 N ATOM 28799 N1 A A1346 229.677 143.701 -17.159 0.00 0.00 N ATOM 28800 C2 A A1346 229.504 144.422 -16.063 0.00 0.00 C ATOM 28801 N3 A A1346 228.640 144.217 -15.070 0.00 0.00 N ATOM 28802 C4 A A1346 227.925 143.070 -15.267 0.00 0.00 C ATOM 28803 P G A1347 224.385 146.383 -10.658 0.00 0.00 P ATOM 28804 O1P G A1347 223.206 147.155 -10.211 0.00 0.00 O ATOM 28805 O2P G A1347 225.615 147.123 -10.963 0.00 0.00 O ATOM 28806 O5* G A1347 224.698 145.269 -9.513 0.00 0.00 O ATOM 28807 C5* G A1347 225.624 145.475 -8.439 0.00 0.00 C ATOM 28808 C4* G A1347 227.011 144.934 -8.806 0.00 0.00 C ATOM 28809 O4* G A1347 227.789 145.957 -9.409 0.00 0.00 O ATOM 28810 C3* G A1347 227.953 144.418 -7.703 0.00 0.00 C ATOM 28811 O3* G A1347 227.535 143.176 -7.135 0.00 0.00 O ATOM 28812 C2* G A1347 229.231 144.389 -8.534 0.00 0.00 C ATOM 28813 O2* G A1347 229.352 143.254 -9.310 0.00 0.00 O ATOM 28814 C1* G A1347 229.056 145.401 -9.621 0.00 0.00 C ATOM 28815 N9 G A1347 230.205 146.298 -9.616 0.00 0.00 N ATOM 28816 C8 G A1347 230.535 147.294 -8.748 0.00 0.00 C ATOM 28817 N7 G A1347 231.564 147.996 -9.140 0.00 0.00 N ATOM 28818 C5 G A1347 231.994 147.344 -10.297 0.00 0.00 C ATOM 28819 C6 G A1347 232.998 147.682 -11.264 0.00 0.00 C ATOM 28820 O6 G A1347 233.653 148.721 -11.324 0.00 0.00 O ATOM 28821 N1 G A1347 233.114 146.745 -12.290 0.00 0.00 N ATOM 28822 C2 G A1347 232.331 145.626 -12.369 0.00 0.00 C ATOM 28823 N2 G A1347 232.377 144.918 -13.461 0.00 0.00 N ATOM 28824 N3 G A1347 231.317 145.358 -11.558 0.00 0.00 N ATOM 28825 C4 G A1347 231.216 146.241 -10.529 0.00 0.00 C ATOM 28826 P U A1348 228.481 141.940 -6.646 0.00 0.00 P ATOM 28827 O1P U A1348 228.187 141.687 -5.225 0.00 0.00 O ATOM 28828 O2P U A1348 229.883 142.075 -7.133 0.00 0.00 O ATOM 28829 O5* U A1348 227.834 140.811 -7.575 0.00 0.00 O ATOM 28830 C5* U A1348 226.498 140.390 -7.393 0.00 0.00 C ATOM 28831 C4* U A1348 226.042 139.498 -8.547 0.00 0.00 C ATOM 28832 O4* U A1348 225.924 140.225 -9.770 0.00 0.00 O ATOM 28833 C3* U A1348 226.951 138.294 -8.798 0.00 0.00 C ATOM 28834 O3* U A1348 226.636 137.264 -7.865 0.00 0.00 O ATOM 28835 C2* U A1348 226.557 138.016 -10.262 0.00 0.00 C ATOM 28836 O2* U A1348 225.257 137.474 -10.402 0.00 0.00 O ATOM 28837 C1* U A1348 226.380 139.417 -10.853 0.00 0.00 C ATOM 28838 N1 U A1348 227.592 139.984 -11.520 0.00 0.00 N ATOM 28839 C2 U A1348 228.021 139.423 -12.731 0.00 0.00 C ATOM 28840 O2 U A1348 227.550 138.400 -13.229 0.00 0.00 O ATOM 28841 N3 U A1348 229.024 140.093 -13.400 0.00 0.00 N ATOM 28842 C4 U A1348 229.645 141.256 -13.015 0.00 0.00 C ATOM 28843 O4 U A1348 230.517 141.786 -13.693 0.00 0.00 O ATOM 28844 C5 U A1348 229.128 141.794 -11.797 0.00 0.00 C ATOM 28845 C6 U A1348 228.151 141.167 -11.085 0.00 0.00 C ATOM 28846 P A A1349 227.617 136.038 -7.471 0.00 0.00 P ATOM 28847 O1P A A1349 226.748 134.977 -6.911 0.00 0.00 O ATOM 28848 O2P A A1349 228.815 136.493 -6.716 0.00 0.00 O ATOM 28849 O5* A A1349 228.148 135.525 -8.889 0.00 0.00 O ATOM 28850 C5* A A1349 227.481 134.485 -9.572 0.00 0.00 C ATOM 28851 C4* A A1349 228.242 134.102 -10.839 0.00 0.00 C ATOM 28852 O4* A A1349 228.331 135.201 -11.744 0.00 0.00 O ATOM 28853 C3* A A1349 229.671 133.640 -10.557 0.00 0.00 C ATOM 28854 O3* A A1349 229.749 132.292 -10.103 0.00 0.00 O ATOM 28855 C2* A A1349 230.269 133.851 -11.950 0.00 0.00 C ATOM 28856 O2* A A1349 229.881 132.822 -12.856 0.00 0.00 O ATOM 28857 C1* A A1349 229.602 135.162 -12.384 0.00 0.00 C ATOM 28858 N9 A A1349 230.422 136.365 -12.060 0.00 0.00 N ATOM 28859 C8 A A1349 230.215 137.362 -11.132 0.00 0.00 C ATOM 28860 N7 A A1349 231.059 138.365 -11.205 0.00 0.00 N ATOM 28861 C5 A A1349 231.930 137.970 -12.230 0.00 0.00 C ATOM 28862 C6 A A1349 233.091 138.520 -12.834 0.00 0.00 C ATOM 28863 N6 A A1349 233.660 139.677 -12.532 0.00 0.00 N ATOM 28864 N1 A A1349 233.727 137.863 -13.811 0.00 0.00 N ATOM 28865 C2 A A1349 233.242 136.690 -14.195 0.00 0.00 C ATOM 28866 N3 A A1349 232.169 136.057 -13.732 0.00 0.00 N ATOM 28867 C4 A A1349 231.551 136.753 -12.740 0.00 0.00 C ATOM 28868 P A A1350 230.870 131.818 -9.046 0.00 0.00 P ATOM 28869 O1P A A1350 230.688 130.364 -8.802 0.00 0.00 O ATOM 28870 O2P A A1350 230.841 132.780 -7.912 0.00 0.00 O ATOM 28871 O5* A A1350 232.261 132.053 -9.813 0.00 0.00 O ATOM 28872 C5* A A1350 232.666 131.344 -10.970 0.00 0.00 C ATOM 28873 C4* A A1350 233.916 132.020 -11.554 0.00 0.00 C ATOM 28874 O4* A A1350 233.603 133.318 -12.070 0.00 0.00 O ATOM 28875 C3* A A1350 235.048 132.217 -10.542 0.00 0.00 C ATOM 28876 O3* A A1350 235.822 131.038 -10.321 0.00 0.00 O ATOM 28877 C2* A A1350 235.778 133.388 -11.217 0.00 0.00 C ATOM 28878 O2* A A1350 236.421 133.039 -12.434 0.00 0.00 O ATOM 28879 C1* A A1350 234.611 134.251 -11.684 0.00 0.00 C ATOM 28880 N9 A A1350 234.098 135.194 -10.655 0.00 0.00 N ATOM 28881 C8 A A1350 232.938 135.103 -9.923 0.00 0.00 C ATOM 28882 N7 A A1350 232.676 136.141 -9.180 0.00 0.00 N ATOM 28883 C5 A A1350 233.751 136.993 -9.445 0.00 0.00 C ATOM 28884 C6 A A1350 234.112 138.276 -8.981 0.00 0.00 C ATOM 28885 N6 A A1350 233.390 138.950 -8.105 0.00 0.00 N ATOM 28886 N1 A A1350 235.260 138.853 -9.368 0.00 0.00 N ATOM 28887 C2 A A1350 236.025 138.180 -10.224 0.00 0.00 C ATOM 28888 N3 A A1350 235.804 136.976 -10.755 0.00 0.00 N ATOM 28889 C4 A A1350 234.636 136.421 -10.320 0.00 0.00 C ATOM 28890 P U A1351 236.421 130.697 -8.867 0.00 0.00 P ATOM 28891 O1P U A1351 237.056 129.366 -8.788 0.00 0.00 O ATOM 28892 O2P U A1351 235.459 131.064 -7.815 0.00 0.00 O ATOM 28893 O5* U A1351 237.621 131.691 -8.626 0.00 0.00 O ATOM 28894 C5* U A1351 238.757 131.792 -9.458 0.00 0.00 C ATOM 28895 C4* U A1351 239.435 133.109 -9.065 0.00 0.00 C ATOM 28896 O4* U A1351 238.557 134.185 -9.391 0.00 0.00 O ATOM 28897 C3* U A1351 239.683 133.236 -7.563 0.00 0.00 C ATOM 28898 O3* U A1351 240.842 132.565 -7.085 0.00 0.00 O ATOM 28899 C2* U A1351 239.682 134.755 -7.390 0.00 0.00 C ATOM 28900 O2* U A1351 240.915 135.369 -7.734 0.00 0.00 O ATOM 28901 C1* U A1351 238.648 135.209 -8.415 0.00 0.00 C ATOM 28902 N1 U A1351 237.341 135.498 -7.760 0.00 0.00 N ATOM 28903 C2 U A1351 237.154 136.780 -7.233 0.00 0.00 C ATOM 28904 O2 U A1351 238.037 137.638 -7.207 0.00 0.00 O ATOM 28905 N3 U A1351 235.921 137.046 -6.667 0.00 0.00 N ATOM 28906 C4 U A1351 234.901 136.140 -6.497 0.00 0.00 C ATOM 28907 O4 U A1351 233.864 136.480 -5.944 0.00 0.00 O ATOM 28908 C5 U A1351 235.196 134.813 -6.984 0.00 0.00 C ATOM 28909 C6 U A1351 236.375 134.528 -7.590 0.00 0.00 C ATOM 28910 P C A1352 241.005 132.303 -5.513 0.00 0.00 P ATOM 28911 O1P C A1352 242.203 131.481 -5.232 0.00 0.00 O ATOM 28912 O2P C A1352 239.689 131.841 -5.016 0.00 0.00 O ATOM 28913 O5* C A1352 241.330 133.754 -4.908 0.00 0.00 O ATOM 28914 C5* C A1352 242.571 134.412 -5.151 0.00 0.00 C ATOM 28915 C4* C A1352 242.704 135.687 -4.308 0.00 0.00 C ATOM 28916 O4* C A1352 241.843 136.755 -4.713 0.00 0.00 O ATOM 28917 C3* C A1352 242.446 135.409 -2.825 0.00 0.00 C ATOM 28918 O3* C A1352 243.591 134.809 -2.230 0.00 0.00 O ATOM 28919 C2* C A1352 242.158 136.839 -2.375 0.00 0.00 C ATOM 28920 O2* C A1352 243.367 137.575 -2.277 0.00 0.00 O ATOM 28921 C1* C A1352 241.336 137.399 -3.542 0.00 0.00 C ATOM 28922 N1 C A1352 239.866 137.156 -3.386 0.00 0.00 N ATOM 28923 C2 C A1352 239.089 138.056 -2.644 0.00 0.00 C ATOM 28924 O2 C A1352 239.610 138.995 -2.044 0.00 0.00 O ATOM 28925 N3 C A1352 237.735 137.926 -2.605 0.00 0.00 N ATOM 28926 C4 C A1352 237.159 136.938 -3.286 0.00 0.00 C ATOM 28927 N4 C A1352 235.847 136.873 -3.251 0.00 0.00 N ATOM 28928 C5 C A1352 237.903 136.000 -4.063 0.00 0.00 C ATOM 28929 C6 C A1352 239.252 136.130 -4.056 0.00 0.00 C ATOM 28930 P G A1353 243.503 133.680 -1.092 0.00 0.00 P ATOM 28931 O1P G A1353 244.842 133.075 -0.986 0.00 0.00 O ATOM 28932 O2P G A1353 242.393 132.769 -1.462 0.00 0.00 O ATOM 28933 O5* G A1353 243.164 134.467 0.277 0.00 0.00 O ATOM 28934 C5* G A1353 244.182 135.204 0.946 0.00 0.00 C ATOM 28935 C4* G A1353 243.686 136.528 1.535 0.00 0.00 C ATOM 28936 O4* G A1353 242.857 137.189 0.591 0.00 0.00 O ATOM 28937 C3* G A1353 242.907 136.503 2.851 0.00 0.00 C ATOM 28938 O3* G A1353 243.759 136.350 3.983 0.00 0.00 O ATOM 28939 C2* G A1353 242.240 137.887 2.735 0.00 0.00 C ATOM 28940 O2* G A1353 243.175 138.943 2.955 0.00 0.00 O ATOM 28941 C1* G A1353 241.825 137.884 1.260 0.00 0.00 C ATOM 28942 N9 G A1353 240.501 137.237 1.022 0.00 0.00 N ATOM 28943 C8 G A1353 240.177 136.027 0.454 0.00 0.00 C ATOM 28944 N7 G A1353 238.894 135.828 0.293 0.00 0.00 N ATOM 28945 C5 G A1353 238.303 136.979 0.826 0.00 0.00 C ATOM 28946 C6 G A1353 236.924 137.379 1.006 0.00 0.00 C ATOM 28947 O6 G A1353 235.878 136.807 0.701 0.00 0.00 O ATOM 28948 N1 G A1353 236.795 138.592 1.666 0.00 0.00 N ATOM 28949 C2 G A1353 237.856 139.352 2.069 0.00 0.00 C ATOM 28950 N2 G A1353 237.637 140.456 2.735 0.00 0.00 N ATOM 28951 N3 G A1353 239.130 139.023 1.906 0.00 0.00 N ATOM 28952 C4 G A1353 239.291 137.827 1.281 0.00 0.00 C ATOM 28953 P U A1354 243.191 135.913 5.416 0.00 0.00 P ATOM 28954 O1P U A1354 244.329 135.649 6.330 0.00 0.00 O ATOM 28955 O2P U A1354 242.215 134.819 5.209 0.00 0.00 O ATOM 28956 O5* U A1354 242.300 137.132 5.968 0.00 0.00 O ATOM 28957 C5* U A1354 242.796 138.407 6.358 0.00 0.00 C ATOM 28958 C4* U A1354 241.631 139.292 6.848 0.00 0.00 C ATOM 28959 O4* U A1354 240.777 139.757 5.793 0.00 0.00 O ATOM 28960 C3* U A1354 240.702 138.594 7.844 0.00 0.00 C ATOM 28961 O3* U A1354 241.291 138.414 9.120 0.00 0.00 O ATOM 28962 C2* U A1354 239.498 139.545 7.758 0.00 0.00 C ATOM 28963 O2* U A1354 239.728 140.828 8.328 0.00 0.00 O ATOM 28964 C1* U A1354 239.410 139.730 6.238 0.00 0.00 C ATOM 28965 N1 U A1354 238.611 138.638 5.586 0.00 0.00 N ATOM 28966 C2 U A1354 237.208 138.703 5.618 0.00 0.00 C ATOM 28967 O2 U A1354 236.590 139.594 6.193 0.00 0.00 O ATOM 28968 N3 U A1354 236.513 137.682 4.985 0.00 0.00 N ATOM 28969 C4 U A1354 237.077 136.612 4.330 0.00 0.00 C ATOM 28970 O4 U A1354 236.360 135.746 3.846 0.00 0.00 O ATOM 28971 C5 U A1354 238.527 136.617 4.316 0.00 0.00 C ATOM 28972 C6 U A1354 239.236 137.591 4.944 0.00 0.00 C ATOM 28973 P G A1355 240.696 137.391 10.197 0.00 0.00 P ATOM 28974 O1P G A1355 241.555 137.317 11.393 0.00 0.00 O ATOM 28975 O2P G A1355 240.306 136.116 9.543 0.00 0.00 O ATOM 28976 O5* G A1355 239.315 138.039 10.639 0.00 0.00 O ATOM 28977 C5* G A1355 239.251 139.294 11.295 0.00 0.00 C ATOM 28978 C4* G A1355 237.778 139.652 11.470 0.00 0.00 C ATOM 28979 O4* G A1355 237.099 139.657 10.214 0.00 0.00 O ATOM 28980 C3* G A1355 237.063 138.642 12.358 0.00 0.00 C ATOM 28981 O3* G A1355 237.276 138.895 13.736 0.00 0.00 O ATOM 28982 C2* G A1355 235.632 138.860 11.883 0.00 0.00 C ATOM 28983 O2* G A1355 235.109 140.092 12.328 0.00 0.00 O ATOM 28984 C1* G A1355 235.820 139.059 10.382 0.00 0.00 C ATOM 28985 N9 G A1355 235.696 137.787 9.636 0.00 0.00 N ATOM 28986 C8 G A1355 236.647 137.034 8.997 0.00 0.00 C ATOM 28987 N7 G A1355 236.177 135.970 8.400 0.00 0.00 N ATOM 28988 C5 G A1355 234.796 136.022 8.652 0.00 0.00 C ATOM 28989 C6 G A1355 233.695 135.169 8.263 0.00 0.00 C ATOM 28990 O6 G A1355 233.683 134.153 7.568 0.00 0.00 O ATOM 28991 N1 G A1355 232.472 135.603 8.750 0.00 0.00 N ATOM 28992 C2 G A1355 232.307 136.746 9.480 0.00 0.00 C ATOM 28993 N2 G A1355 231.104 137.062 9.893 0.00 0.00 N ATOM 28994 N3 G A1355 233.291 137.560 9.843 0.00 0.00 N ATOM 28995 C4 G A1355 234.510 137.141 9.404 0.00 0.00 C ATOM 28996 P G A1356 237.162 137.713 14.804 0.00 0.00 P ATOM 28997 O1P G A1356 237.525 138.295 16.114 0.00 0.00 O ATOM 28998 O2P G A1356 237.910 136.555 14.255 0.00 0.00 O ATOM 28999 O5* G A1356 235.593 137.362 14.797 0.00 0.00 O ATOM 29000 C5* G A1356 234.642 138.245 15.364 0.00 0.00 C ATOM 29001 C4* G A1356 233.212 137.786 15.055 0.00 0.00 C ATOM 29002 O4* G A1356 233.013 137.631 13.654 0.00 0.00 O ATOM 29003 C3* G A1356 232.802 136.485 15.737 0.00 0.00 C ATOM 29004 O3* G A1356 232.439 136.789 17.076 0.00 0.00 O ATOM 29005 C2* G A1356 231.649 136.070 14.804 0.00 0.00 C ATOM 29006 O2* G A1356 230.441 136.784 15.005 0.00 0.00 O ATOM 29007 C1* G A1356 232.161 136.514 13.439 0.00 0.00 C ATOM 29008 N9 G A1356 232.869 135.414 12.742 0.00 0.00 N ATOM 29009 C8 G A1356 234.212 135.237 12.529 0.00 0.00 C ATOM 29010 N7 G A1356 234.502 134.238 11.738 0.00 0.00 N ATOM 29011 C5 G A1356 233.257 133.671 11.439 0.00 0.00 C ATOM 29012 C6 G A1356 232.881 132.549 10.613 0.00 0.00 C ATOM 29013 O6 G A1356 233.575 131.806 9.918 0.00 0.00 O ATOM 29014 N1 G A1356 231.518 132.304 10.616 0.00 0.00 N ATOM 29015 C2 G A1356 230.609 133.060 11.299 0.00 0.00 C ATOM 29016 N2 G A1356 229.347 132.699 11.251 0.00 0.00 N ATOM 29017 N3 G A1356 230.916 134.121 12.045 0.00 0.00 N ATOM 29018 C4 G A1356 232.258 134.375 12.079 0.00 0.00 C ATOM 29019 P A A1357 232.620 135.770 18.312 0.00 0.00 P ATOM 29020 O1P A A1357 232.658 136.552 19.558 0.00 0.00 O ATOM 29021 O2P A A1357 233.690 134.792 18.027 0.00 0.00 O ATOM 29022 O5* A A1357 231.260 134.938 18.298 0.00 0.00 O ATOM 29023 C5* A A1357 230.010 135.526 18.565 0.00 0.00 C ATOM 29024 C4* A A1357 228.931 134.643 17.930 0.00 0.00 C ATOM 29025 O4* A A1357 229.152 134.508 16.526 0.00 0.00 O ATOM 29026 C3* A A1357 228.874 133.238 18.527 0.00 0.00 C ATOM 29027 O3* A A1357 228.049 133.222 19.684 0.00 0.00 O ATOM 29028 C2* A A1357 228.304 132.440 17.350 0.00 0.00 C ATOM 29029 O2* A A1357 226.890 132.550 17.239 0.00 0.00 O ATOM 29030 C1* A A1357 228.929 133.154 16.147 0.00 0.00 C ATOM 29031 N9 A A1357 230.188 132.523 15.675 0.00 0.00 N ATOM 29032 C8 A A1357 231.498 132.877 15.916 0.00 0.00 C ATOM 29033 N7 A A1357 232.364 132.286 15.145 0.00 0.00 N ATOM 29034 C5 A A1357 231.584 131.400 14.409 0.00 0.00 C ATOM 29035 C6 A A1357 231.879 130.423 13.440 0.00 0.00 C ATOM 29036 N6 A A1357 233.115 130.173 13.054 0.00 0.00 N ATOM 29037 N1 A A1357 230.902 129.690 12.882 0.00 0.00 N ATOM 29038 C2 A A1357 229.658 129.933 13.288 0.00 0.00 C ATOM 29039 N3 A A1357 229.236 130.811 14.195 0.00 0.00 N ATOM 29040 C4 A A1357 230.263 131.524 14.730 0.00 0.00 C ATOM 29041 P U A1358 228.645 132.852 21.120 0.00 0.00 P ATOM 29042 O1P U A1358 227.585 133.001 22.148 0.00 0.00 O ATOM 29043 O2P U A1358 229.961 133.516 21.285 0.00 0.00 O ATOM 29044 O5* U A1358 228.897 131.299 20.892 0.00 0.00 O ATOM 29045 C5* U A1358 227.821 130.380 20.808 0.00 0.00 C ATOM 29046 C4* U A1358 228.342 129.090 20.187 0.00 0.00 C ATOM 29047 O4* U A1358 228.834 129.337 18.869 0.00 0.00 O ATOM 29048 C3* U A1358 229.478 128.544 21.046 0.00 0.00 C ATOM 29049 O3* U A1358 228.966 127.652 22.039 0.00 0.00 O ATOM 29050 C2* U A1358 230.334 127.914 19.935 0.00 0.00 C ATOM 29051 O2* U A1358 230.319 126.520 20.032 0.00 0.00 O ATOM 29052 C1* U A1358 229.789 128.339 18.568 0.00 0.00 C ATOM 29053 N1 U A1358 230.906 128.835 17.717 0.00 0.00 N ATOM 29054 C2 U A1358 231.432 128.014 16.704 0.00 0.00 C ATOM 29055 O2 U A1358 230.908 126.974 16.307 0.00 0.00 O ATOM 29056 N3 U A1358 232.624 128.419 16.134 0.00 0.00 N ATOM 29057 C4 U A1358 233.365 129.518 16.504 0.00 0.00 C ATOM 29058 O4 U A1358 234.472 129.707 16.010 0.00 0.00 O ATOM 29059 C5 U A1358 232.718 130.355 17.488 0.00 0.00 C ATOM 29060 C6 U A1358 231.537 130.008 18.058 0.00 0.00 C ATOM 29061 P C A1359 229.444 127.645 23.593 0.00 0.00 P ATOM 29062 O1P C A1359 228.811 126.493 24.261 0.00 0.00 O ATOM 29063 O2P C A1359 229.275 128.998 24.187 0.00 0.00 O ATOM 29064 O5* C A1359 231.018 127.388 23.582 0.00 0.00 O ATOM 29065 C5* C A1359 231.588 126.147 23.200 0.00 0.00 C ATOM 29066 C4* C A1359 232.941 126.461 22.566 0.00 0.00 C ATOM 29067 O4* C A1359 232.677 127.248 21.426 0.00 0.00 O ATOM 29068 C3* C A1359 233.852 127.368 23.386 0.00 0.00 C ATOM 29069 O3* C A1359 234.617 126.758 24.417 0.00 0.00 O ATOM 29070 C2* C A1359 234.683 127.947 22.238 0.00 0.00 C ATOM 29071 O2* C A1359 235.614 127.072 21.689 0.00 0.00 O ATOM 29072 C1* C A1359 233.756 128.087 21.089 0.00 0.00 C ATOM 29073 N1 C A1359 233.456 129.521 20.967 0.00 0.00 N ATOM 29074 C2 C A1359 234.316 130.315 20.202 0.00 0.00 C ATOM 29075 O2 C A1359 235.232 129.813 19.548 0.00 0.00 O ATOM 29076 N3 C A1359 234.117 131.653 20.155 0.00 0.00 N ATOM 29077 C4 C A1359 233.097 132.175 20.811 0.00 0.00 C ATOM 29078 N4 C A1359 232.842 133.432 20.614 0.00 0.00 N ATOM 29079 C5 C A1359 232.234 131.409 21.644 0.00 0.00 C ATOM 29080 C6 C A1359 232.468 130.084 21.721 0.00 0.00 C ATOM 29081 P A A1360 235.841 127.530 25.123 0.00 0.00 P ATOM 29082 O1P A A1360 236.454 126.631 26.118 0.00 0.00 O ATOM 29083 O2P A A1360 235.295 128.862 25.504 0.00 0.00 O ATOM 29084 O5* A A1360 236.880 127.680 23.857 0.00 0.00 O ATOM 29085 C5* A A1360 238.297 127.552 23.911 0.00 0.00 C ATOM 29086 C4* A A1360 238.901 126.299 23.224 0.00 0.00 C ATOM 29087 O4* A A1360 238.500 125.088 23.854 0.00 0.00 O ATOM 29088 C3* A A1360 238.740 126.122 21.697 0.00 0.00 C ATOM 29089 O3* A A1360 239.691 126.932 21.002 0.00 0.00 O ATOM 29090 C2* A A1360 238.983 124.601 21.591 0.00 0.00 C ATOM 29091 O2* A A1360 240.361 124.251 21.607 0.00 0.00 O ATOM 29092 C1* A A1360 238.393 124.044 22.892 0.00 0.00 C ATOM 29093 N9 A A1360 236.966 123.653 22.812 0.00 0.00 N ATOM 29094 C8 A A1360 235.904 124.414 23.193 0.00 0.00 C ATOM 29095 N7 A A1360 234.765 123.783 23.268 0.00 0.00 N ATOM 29096 C5 A A1360 235.093 122.495 22.862 0.00 0.00 C ATOM 29097 C6 A A1360 234.341 121.314 22.657 0.00 0.00 C ATOM 29098 N6 A A1360 233.024 121.218 22.800 0.00 0.00 N ATOM 29099 N1 A A1360 234.938 120.231 22.166 0.00 0.00 N ATOM 29100 C2 A A1360 236.249 120.276 21.932 0.00 0.00 C ATOM 29101 N3 A A1360 237.080 121.308 22.097 0.00 0.00 N ATOM 29102 C4 A A1360 236.430 122.409 22.559 0.00 0.00 C ATOM 29103 P G A1361 239.540 127.389 19.457 0.00 0.00 P ATOM 29104 O1P G A1361 240.793 128.050 19.032 0.00 0.00 O ATOM 29105 O2P G A1361 238.248 128.090 19.270 0.00 0.00 O ATOM 29106 O5* G A1361 239.464 126.022 18.634 0.00 0.00 O ATOM 29107 C5* G A1361 240.611 125.232 18.396 0.00 0.00 C ATOM 29108 C4* G A1361 240.228 123.895 17.758 0.00 0.00 C ATOM 29109 O4* G A1361 239.519 123.077 18.684 0.00 0.00 O ATOM 29110 C3* G A1361 239.355 123.979 16.503 0.00 0.00 C ATOM 29111 O3* G A1361 240.073 124.324 15.336 0.00 0.00 O ATOM 29112 C2* G A1361 238.789 122.556 16.512 0.00 0.00 C ATOM 29113 O2* G A1361 239.757 121.547 16.272 0.00 0.00 O ATOM 29114 C1* G A1361 238.482 122.391 17.988 0.00 0.00 C ATOM 29115 N9 G A1361 237.165 122.932 18.385 0.00 0.00 N ATOM 29116 C8 G A1361 236.858 124.175 18.880 0.00 0.00 C ATOM 29117 N7 G A1361 235.746 124.211 19.549 0.00 0.00 N ATOM 29118 C5 G A1361 235.203 122.944 19.363 0.00 0.00 C ATOM 29119 C6 G A1361 233.957 122.385 19.790 0.00 0.00 C ATOM 29120 O6 G A1361 233.081 122.898 20.481 0.00 0.00 O ATOM 29121 N1 G A1361 233.716 121.112 19.304 0.00 0.00 N ATOM 29122 C2 G A1361 234.612 120.439 18.519 0.00 0.00 C ATOM 29123 N2 G A1361 234.284 119.234 18.116 0.00 0.00 N ATOM 29124 N3 G A1361 235.800 120.912 18.136 0.00 0.00 N ATOM 29125 C4 G A1361 236.034 122.179 18.582 0.00 0.00 C ATOM 29126 P A A1362 239.343 124.437 13.909 0.00 0.00 P ATOM 29127 O1P A A1362 240.069 125.464 13.133 0.00 0.00 O ATOM 29128 O2P A A1362 237.870 124.521 14.123 0.00 0.00 O ATOM 29129 O5* A A1362 239.683 122.995 13.283 0.00 0.00 O ATOM 29130 C5* A A1362 238.662 122.131 12.829 0.00 0.00 C ATOM 29131 C4* A A1362 239.222 120.724 12.660 0.00 0.00 C ATOM 29132 O4* A A1362 239.406 120.123 13.929 0.00 0.00 O ATOM 29133 C3* A A1362 238.213 119.810 11.964 0.00 0.00 C ATOM 29134 O3* A A1362 237.920 120.022 10.571 0.00 0.00 O ATOM 29135 C2* A A1362 238.744 118.431 12.375 0.00 0.00 C ATOM 29136 O2* A A1362 239.698 118.009 11.421 0.00 0.00 O ATOM 29137 C1* A A1362 239.384 118.709 13.758 0.00 0.00 C ATOM 29138 N9 A A1362 238.694 118.074 14.921 0.00 0.00 N ATOM 29139 C8 A A1362 237.912 118.655 15.894 0.00 0.00 C ATOM 29140 N7 A A1362 237.605 117.866 16.894 0.00 0.00 N ATOM 29141 C5 A A1362 238.244 116.658 16.569 0.00 0.00 C ATOM 29142 C6 A A1362 238.415 115.382 17.189 0.00 0.00 C ATOM 29143 N6 A A1362 238.012 114.988 18.381 0.00 0.00 N ATOM 29144 N1 A A1362 239.065 114.398 16.567 0.00 0.00 N ATOM 29145 C2 A A1362 239.575 114.655 15.372 0.00 0.00 C ATOM 29146 N3 A A1362 239.552 115.800 14.697 0.00 0.00 N ATOM 29147 C4 A A1362 238.865 116.775 15.348 0.00 0.00 C ATOM 29148 P A A1363 238.962 120.521 9.415 0.00 0.00 P ATOM 29149 O1P A A1363 238.628 119.912 8.118 0.00 0.00 O ATOM 29150 O2P A A1363 240.368 120.543 9.875 0.00 0.00 O ATOM 29151 O5* A A1363 238.584 122.070 9.296 0.00 0.00 O ATOM 29152 C5* A A1363 237.377 122.471 8.688 0.00 0.00 C ATOM 29153 C4* A A1363 237.422 123.931 8.222 0.00 0.00 C ATOM 29154 O4* A A1363 236.120 124.461 8.446 0.00 0.00 O ATOM 29155 C3* A A1363 238.389 124.866 8.961 0.00 0.00 C ATOM 29156 O3* A A1363 238.657 126.045 8.197 0.00 0.00 O ATOM 29157 C2* A A1363 237.554 125.195 10.191 0.00 0.00 C ATOM 29158 O2* A A1363 237.980 126.399 10.794 0.00 0.00 O ATOM 29159 C1* A A1363 236.144 125.292 9.609 0.00 0.00 C ATOM 29160 N9 A A1363 235.077 124.930 10.584 0.00 0.00 N ATOM 29161 C8 A A1363 234.083 123.992 10.442 0.00 0.00 C ATOM 29162 N7 A A1363 233.168 124.019 11.373 0.00 0.00 N ATOM 29163 C5 A A1363 233.584 125.067 12.200 0.00 0.00 C ATOM 29164 C6 A A1363 233.041 125.689 13.352 0.00 0.00 C ATOM 29165 N6 A A1363 231.914 125.325 13.946 0.00 0.00 N ATOM 29166 N1 A A1363 233.665 126.731 13.913 0.00 0.00 N ATOM 29167 C2 A A1363 234.816 127.131 13.371 0.00 0.00 C ATOM 29168 N3 A A1363 235.457 126.634 12.311 0.00 0.00 N ATOM 29169 C4 A A1363 234.766 125.603 11.749 0.00 0.00 C ATOM 29170 P U A1364 239.816 126.111 7.104 0.00 0.00 P ATOM 29171 O1P U A1364 240.910 125.234 7.589 0.00 0.00 O ATOM 29172 O2P U A1364 240.168 127.528 6.896 0.00 0.00 O ATOM 29173 O5* U A1364 239.140 125.474 5.793 0.00 0.00 O ATOM 29174 C5* U A1364 238.554 126.213 4.729 0.00 0.00 C ATOM 29175 C4* U A1364 237.759 125.251 3.823 0.00 0.00 C ATOM 29176 O4* U A1364 238.623 124.214 3.379 0.00 0.00 O ATOM 29177 C3* U A1364 236.591 124.605 4.576 0.00 0.00 C ATOM 29178 O3* U A1364 235.353 125.310 4.501 0.00 0.00 O ATOM 29179 C2* U A1364 236.659 123.102 4.225 0.00 0.00 C ATOM 29180 O2* U A1364 235.672 122.602 3.352 0.00 0.00 O ATOM 29181 C1* U A1364 237.990 122.945 3.486 0.00 0.00 C ATOM 29182 N1 U A1364 238.899 121.962 4.135 0.00 0.00 N ATOM 29183 C2 U A1364 238.971 120.661 3.614 0.00 0.00 C ATOM 29184 O2 U A1364 238.271 120.245 2.687 0.00 0.00 O ATOM 29185 N3 U A1364 239.906 119.816 4.186 0.00 0.00 N ATOM 29186 C4 U A1364 240.824 120.167 5.154 0.00 0.00 C ATOM 29187 O4 U A1364 241.731 119.395 5.443 0.00 0.00 O ATOM 29188 C5 U A1364 240.639 121.495 5.699 0.00 0.00 C ATOM 29189 C6 U A1364 239.700 122.335 5.196 0.00 0.00 C ATOM 29190 P G A1365 234.583 125.746 3.156 0.00 0.00 P ATOM 29191 O1P G A1365 234.978 124.942 1.997 0.00 0.00 O ATOM 29192 O2P G A1365 234.540 127.221 3.033 0.00 0.00 O ATOM 29193 O5* G A1365 233.098 125.339 3.538 0.00 0.00 O ATOM 29194 C5* G A1365 232.692 123.982 3.599 0.00 0.00 C ATOM 29195 C4* G A1365 231.616 123.789 4.664 0.00 0.00 C ATOM 29196 O4* G A1365 232.197 123.636 5.958 0.00 0.00 O ATOM 29197 C3* G A1365 230.639 124.953 4.788 0.00 0.00 C ATOM 29198 O3* G A1365 229.689 124.978 3.734 0.00 0.00 O ATOM 29199 C2* G A1365 230.076 124.641 6.175 0.00 0.00 C ATOM 29200 O2* G A1365 229.228 123.505 6.152 0.00 0.00 O ATOM 29201 C1* G A1365 231.332 124.212 6.935 0.00 0.00 C ATOM 29202 N9 G A1365 232.037 125.330 7.625 0.00 0.00 N ATOM 29203 C8 G A1365 233.276 125.844 7.329 0.00 0.00 C ATOM 29204 N7 G A1365 233.696 126.753 8.163 0.00 0.00 N ATOM 29205 C5 G A1365 232.668 126.860 9.099 0.00 0.00 C ATOM 29206 C6 G A1365 232.539 127.687 10.272 0.00 0.00 C ATOM 29207 O6 G A1365 233.328 128.482 10.779 0.00 0.00 O ATOM 29208 N1 G A1365 231.320 127.551 10.902 0.00 0.00 N ATOM 29209 C2 G A1365 230.354 126.677 10.508 0.00 0.00 C ATOM 29210 N2 G A1365 229.244 126.674 11.220 0.00 0.00 N ATOM 29211 N3 G A1365 230.452 125.871 9.442 0.00 0.00 N ATOM 29212 C4 G A1365 231.634 126.007 8.765 0.00 0.00 C ATOM 29213 P C A1366 229.189 126.370 3.115 0.00 0.00 P ATOM 29214 O1P C A1366 228.264 126.099 1.994 0.00 0.00 O ATOM 29215 O2P C A1366 230.388 127.217 2.885 0.00 0.00 O ATOM 29216 O5* C A1366 228.375 126.989 4.356 0.00 0.00 O ATOM 29217 C5* C A1366 227.238 126.361 4.937 0.00 0.00 C ATOM 29218 C4* C A1366 226.792 127.109 6.209 0.00 0.00 C ATOM 29219 O4* C A1366 227.742 126.987 7.267 0.00 0.00 O ATOM 29220 C3* C A1366 226.594 128.605 5.952 0.00 0.00 C ATOM 29221 O3* C A1366 225.280 128.915 5.505 0.00 0.00 O ATOM 29222 C2* C A1366 226.942 129.223 7.308 0.00 0.00 C ATOM 29223 O2* C A1366 225.845 129.344 8.188 0.00 0.00 O ATOM 29224 C1* C A1366 227.914 128.233 7.936 0.00 0.00 C ATOM 29225 N1 C A1366 229.307 128.739 7.814 0.00 0.00 N ATOM 29226 C2 C A1366 229.780 129.698 8.728 0.00 0.00 C ATOM 29227 O2 C A1366 229.053 130.205 9.591 0.00 0.00 O ATOM 29228 N3 C A1366 231.073 130.106 8.648 0.00 0.00 N ATOM 29229 C4 C A1366 231.857 129.625 7.687 0.00 0.00 C ATOM 29230 N4 C A1366 233.104 130.015 7.644 0.00 0.00 N ATOM 29231 C5 C A1366 231.391 128.730 6.687 0.00 0.00 C ATOM 29232 C6 C A1366 230.114 128.306 6.790 0.00 0.00 C ATOM 29233 P C A1367 224.986 130.253 4.657 0.00 0.00 P ATOM 29234 O1P C A1367 223.554 130.215 4.284 0.00 0.00 O ATOM 29235 O2P C A1367 226.017 130.439 3.613 0.00 0.00 O ATOM 29236 O5* C A1367 225.183 131.453 5.700 0.00 0.00 O ATOM 29237 C5* C A1367 224.180 131.806 6.629 0.00 0.00 C ATOM 29238 C4* C A1367 224.614 132.893 7.622 0.00 0.00 C ATOM 29239 O4* C A1367 225.711 132.506 8.464 0.00 0.00 O ATOM 29240 C3* C A1367 225.050 134.201 7.011 0.00 0.00 C ATOM 29241 O3* C A1367 223.960 135.002 6.624 0.00 0.00 O ATOM 29242 C2* C A1367 225.870 134.827 8.136 0.00 0.00 C ATOM 29243 O2* C A1367 225.108 135.349 9.220 0.00 0.00 O ATOM 29244 C1* C A1367 226.610 133.613 8.665 0.00 0.00 C ATOM 29245 N1 C A1367 227.924 133.445 7.963 0.00 0.00 N ATOM 29246 C2 C A1367 229.061 134.173 8.371 0.00 0.00 C ATOM 29247 O2 C A1367 228.989 135.119 9.159 0.00 0.00 O ATOM 29248 N3 C A1367 230.285 133.845 7.869 0.00 0.00 N ATOM 29249 C4 C A1367 230.382 132.867 6.970 0.00 0.00 C ATOM 29250 N4 C A1367 231.571 132.540 6.518 0.00 0.00 N ATOM 29251 C5 C A1367 229.249 132.177 6.457 0.00 0.00 C ATOM 29252 C6 C A1367 228.041 132.529 6.950 0.00 0.00 C ATOM 29253 P A A1368 224.001 135.655 5.185 0.00 0.00 P ATOM 29254 O1P A A1368 222.780 136.480 5.003 0.00 0.00 O ATOM 29255 O2P A A1368 224.338 134.556 4.256 0.00 0.00 O ATOM 29256 O5* A A1368 225.301 136.592 5.362 0.00 0.00 O ATOM 29257 C5* A A1368 225.168 137.827 6.022 0.00 0.00 C ATOM 29258 C4* A A1368 226.479 138.452 6.516 0.00 0.00 C ATOM 29259 O4* A A1368 227.388 137.522 7.083 0.00 0.00 O ATOM 29260 C3* A A1368 227.272 139.206 5.466 0.00 0.00 C ATOM 29261 O3* A A1368 226.635 140.426 5.154 0.00 0.00 O ATOM 29262 C2* A A1368 228.593 139.360 6.236 0.00 0.00 C ATOM 29263 O2* A A1368 228.546 140.303 7.297 0.00 0.00 O ATOM 29264 C1* A A1368 228.711 138.009 6.929 0.00 0.00 C ATOM 29265 N9 A A1368 229.534 137.071 6.141 0.00 0.00 N ATOM 29266 C8 A A1368 229.150 135.954 5.444 0.00 0.00 C ATOM 29267 N7 A A1368 230.135 135.313 4.874 0.00 0.00 N ATOM 29268 C5 A A1368 231.260 136.069 5.234 0.00 0.00 C ATOM 29269 C6 A A1368 232.650 135.967 4.993 0.00 0.00 C ATOM 29270 N6 A A1368 233.216 134.966 4.341 0.00 0.00 N ATOM 29271 N1 A A1368 233.494 136.913 5.438 0.00 0.00 N ATOM 29272 C2 A A1368 232.984 137.915 6.145 0.00 0.00 C ATOM 29273 N3 A A1368 231.714 138.118 6.482 0.00 0.00 N ATOM 29274 C4 A A1368 230.895 137.152 5.986 0.00 0.00 C ATOM 29275 P C A1369 227.084 141.318 3.908 0.00 0.00 P ATOM 29276 O1P C A1369 226.244 142.530 3.999 0.00 0.00 O ATOM 29277 O2P C A1369 227.013 140.466 2.697 0.00 0.00 O ATOM 29278 O5* C A1369 228.628 141.694 4.215 0.00 0.00 O ATOM 29279 C5* C A1369 228.988 142.711 5.143 0.00 0.00 C ATOM 29280 C4* C A1369 230.505 142.975 5.169 0.00 0.00 C ATOM 29281 O4* C A1369 231.320 141.850 5.512 0.00 0.00 O ATOM 29282 C3* C A1369 231.012 143.490 3.825 0.00 0.00 C ATOM 29283 O3* C A1369 230.640 144.849 3.639 0.00 0.00 O ATOM 29284 C2* C A1369 232.512 143.258 4.027 0.00 0.00 C ATOM 29285 O2* C A1369 233.062 144.264 4.878 0.00 0.00 O ATOM 29286 C1* C A1369 232.535 141.899 4.748 0.00 0.00 C ATOM 29287 N1 C A1369 232.634 140.719 3.817 0.00 0.00 N ATOM 29288 C2 C A1369 233.889 140.308 3.317 0.00 0.00 C ATOM 29289 O2 C A1369 234.910 140.980 3.494 0.00 0.00 O ATOM 29290 N3 C A1369 234.001 139.133 2.630 0.00 0.00 N ATOM 29291 C4 C A1369 232.913 138.394 2.420 0.00 0.00 C ATOM 29292 N4 C A1369 233.040 137.265 1.758 0.00 0.00 N ATOM 29293 C5 C A1369 231.623 138.778 2.882 0.00 0.00 C ATOM 29294 C6 C A1369 231.525 139.948 3.555 0.00 0.00 C ATOM 29295 P G A1370 230.197 145.422 2.200 0.00 0.00 P ATOM 29296 O1P G A1370 229.601 146.761 2.388 0.00 0.00 O ATOM 29297 O2P G A1370 229.440 144.379 1.484 0.00 0.00 O ATOM 29298 O5* G A1370 231.608 145.595 1.458 0.00 0.00 O ATOM 29299 C5* G A1370 232.428 146.714 1.734 0.00 0.00 C ATOM 29300 C4* G A1370 233.904 146.347 1.570 0.00 0.00 C ATOM 29301 O4* G A1370 234.204 145.085 2.155 0.00 0.00 O ATOM 29302 C3* G A1370 234.347 146.263 0.124 0.00 0.00 C ATOM 29303 O3* G A1370 234.645 147.546 -0.373 0.00 0.00 O ATOM 29304 C2* G A1370 235.579 145.365 0.255 0.00 0.00 C ATOM 29305 O2* G A1370 236.722 146.025 0.773 0.00 0.00 O ATOM 29306 C1* G A1370 235.124 144.385 1.329 0.00 0.00 C ATOM 29307 N9 G A1370 234.578 143.153 0.703 0.00 0.00 N ATOM 29308 C8 G A1370 233.293 142.684 0.576 0.00 0.00 C ATOM 29309 N7 G A1370 233.210 141.503 0.021 0.00 0.00 N ATOM 29310 C5 G A1370 234.533 141.178 -0.304 0.00 0.00 C ATOM 29311 C6 G A1370 235.129 140.043 -0.970 0.00 0.00 C ATOM 29312 O6 G A1370 234.619 139.014 -1.414 0.00 0.00 O ATOM 29313 N1 G A1370 236.499 140.163 -1.119 0.00 0.00 N ATOM 29314 C2 G A1370 237.219 141.233 -0.679 0.00 0.00 C ATOM 29315 N2 G A1370 238.512 141.211 -0.853 0.00 0.00 N ATOM 29316 N3 G A1370 236.713 142.283 -0.042 0.00 0.00 N ATOM 29317 C4 G A1370 235.362 142.200 0.107 0.00 0.00 C ATOM 29318 P G A1371 234.828 147.787 -1.933 0.00 0.00 P ATOM 29319 O1P G A1371 235.227 149.191 -2.103 0.00 0.00 O ATOM 29320 O2P G A1371 233.620 147.263 -2.602 0.00 0.00 O ATOM 29321 O5* G A1371 236.085 146.868 -2.338 0.00 0.00 O ATOM 29322 C5* G A1371 237.393 147.336 -2.063 0.00 0.00 C ATOM 29323 C4* G A1371 238.486 146.405 -2.566 0.00 0.00 C ATOM 29324 O4* G A1371 238.450 145.071 -2.046 0.00 0.00 O ATOM 29325 C3* G A1371 238.485 146.265 -4.083 0.00 0.00 C ATOM 29326 O3* G A1371 238.917 147.443 -4.741 0.00 0.00 O ATOM 29327 C2* G A1371 239.475 145.103 -4.168 0.00 0.00 C ATOM 29328 O2* G A1371 240.778 145.499 -3.746 0.00 0.00 O ATOM 29329 C1* G A1371 238.953 144.188 -3.057 0.00 0.00 C ATOM 29330 N9 G A1371 237.886 143.252 -3.500 0.00 0.00 N ATOM 29331 C8 G A1371 236.537 143.326 -3.259 0.00 0.00 C ATOM 29332 N7 G A1371 235.858 142.292 -3.673 0.00 0.00 N ATOM 29333 C5 G A1371 236.823 141.457 -4.245 0.00 0.00 C ATOM 29334 C6 G A1371 236.716 140.181 -4.911 0.00 0.00 C ATOM 29335 O6 G A1371 235.741 139.471 -5.146 0.00 0.00 O ATOM 29336 N1 G A1371 237.924 139.720 -5.393 0.00 0.00 N ATOM 29337 C2 G A1371 239.103 140.375 -5.249 0.00 0.00 C ATOM 29338 N2 G A1371 240.151 139.799 -5.793 0.00 0.00 N ATOM 29339 N3 G A1371 239.250 141.553 -4.640 0.00 0.00 N ATOM 29340 C4 G A1371 238.069 142.052 -4.157 0.00 0.00 C ATOM 29341 P U A1372 238.306 147.904 -6.149 0.00 0.00 P ATOM 29342 O1P U A1372 238.847 149.245 -6.485 0.00 0.00 O ATOM 29343 O2P U A1372 236.849 147.639 -6.129 0.00 0.00 O ATOM 29344 O5* U A1372 238.903 146.835 -7.164 0.00 0.00 O ATOM 29345 C5* U A1372 240.262 146.796 -7.538 0.00 0.00 C ATOM 29346 C4* U A1372 240.415 145.601 -8.474 0.00 0.00 C ATOM 29347 O4* U A1372 240.048 144.415 -7.767 0.00 0.00 O ATOM 29348 C3* U A1372 239.523 145.674 -9.718 0.00 0.00 C ATOM 29349 O3* U A1372 240.082 146.429 -10.790 0.00 0.00 O ATOM 29350 C2* U A1372 239.477 144.179 -10.032 0.00 0.00 C ATOM 29351 O2* U A1372 240.687 143.760 -10.645 0.00 0.00 O ATOM 29352 C1* U A1372 239.458 143.491 -8.669 0.00 0.00 C ATOM 29353 N1 U A1372 238.098 143.028 -8.256 0.00 0.00 N ATOM 29354 C2 U A1372 237.633 141.832 -8.816 0.00 0.00 C ATOM 29355 O2 U A1372 238.262 141.188 -9.649 0.00 0.00 O ATOM 29356 N3 U A1372 236.408 141.369 -8.385 0.00 0.00 N ATOM 29357 C4 U A1372 235.612 141.952 -7.433 0.00 0.00 C ATOM 29358 O4 U A1372 234.528 141.447 -7.170 0.00 0.00 O ATOM 29359 C5 U A1372 236.175 143.154 -6.848 0.00 0.00 C ATOM 29360 C6 U A1372 237.367 143.662 -7.272 0.00 0.00 C ATOM 29361 P G A1373 239.182 147.077 -11.961 0.00 0.00 P ATOM 29362 O1P G A1373 240.043 147.250 -13.151 0.00 0.00 O ATOM 29363 O2P G A1373 238.513 148.270 -11.380 0.00 0.00 O ATOM 29364 O5* G A1373 238.099 145.905 -12.321 0.00 0.00 O ATOM 29365 C5* G A1373 238.467 144.840 -13.199 0.00 0.00 C ATOM 29366 C4* G A1373 237.473 143.662 -13.323 0.00 0.00 C ATOM 29367 O4* G A1373 237.219 142.980 -12.103 0.00 0.00 O ATOM 29368 C3* G A1373 236.110 144.037 -13.872 0.00 0.00 C ATOM 29369 O3* G A1373 236.159 144.205 -15.272 0.00 0.00 O ATOM 29370 C2* G A1373 235.244 142.862 -13.385 0.00 0.00 C ATOM 29371 O2* G A1373 235.411 141.630 -14.072 0.00 0.00 O ATOM 29372 C1* G A1373 235.844 142.636 -12.008 0.00 0.00 C ATOM 29373 N9 G A1373 235.178 143.465 -10.983 0.00 0.00 N ATOM 29374 C8 G A1373 235.574 144.675 -10.463 0.00 0.00 C ATOM 29375 N7 G A1373 234.845 145.097 -9.467 0.00 0.00 N ATOM 29376 C5 G A1373 233.886 144.095 -9.330 0.00 0.00 C ATOM 29377 C6 G A1373 232.832 143.960 -8.376 0.00 0.00 C ATOM 29378 O6 G A1373 232.500 144.733 -7.482 0.00 0.00 O ATOM 29379 N1 G A1373 232.146 142.779 -8.501 0.00 0.00 N ATOM 29380 C2 G A1373 232.328 141.882 -9.507 0.00 0.00 C ATOM 29381 N2 G A1373 231.469 140.884 -9.499 0.00 0.00 N ATOM 29382 N3 G A1373 233.292 141.975 -10.437 0.00 0.00 N ATOM 29383 C4 G A1373 234.057 143.104 -10.274 0.00 0.00 C ATOM 29384 P A A1374 235.010 145.011 -16.029 0.00 0.00 P ATOM 29385 O1P A A1374 235.518 145.332 -17.393 0.00 0.00 O ATOM 29386 O2P A A1374 234.493 146.062 -15.116 0.00 0.00 O ATOM 29387 O5* A A1374 233.846 143.902 -16.035 0.00 0.00 O ATOM 29388 C5* A A1374 233.199 143.413 -17.192 0.00 0.00 C ATOM 29389 C4* A A1374 233.881 142.147 -17.701 0.00 0.00 C ATOM 29390 O4* A A1374 233.995 141.127 -16.700 0.00 0.00 O ATOM 29391 C3* A A1374 233.077 141.520 -18.826 0.00 0.00 C ATOM 29392 O3* A A1374 233.332 142.188 -20.037 0.00 0.00 O ATOM 29393 C2* A A1374 233.629 140.097 -18.785 0.00 0.00 C ATOM 29394 O2* A A1374 234.964 140.059 -19.260 0.00 0.00 O ATOM 29395 C1* A A1374 233.710 139.848 -17.282 0.00 0.00 C ATOM 29396 N9 A A1374 232.448 139.301 -16.723 0.00 0.00 N ATOM 29397 C8 A A1374 231.662 139.881 -15.769 0.00 0.00 C ATOM 29398 N7 A A1374 230.648 139.152 -15.401 0.00 0.00 N ATOM 29399 C5 A A1374 230.763 137.991 -16.150 0.00 0.00 C ATOM 29400 C6 A A1374 230.014 136.790 -16.233 0.00 0.00 C ATOM 29401 N6 A A1374 228.908 136.512 -15.550 0.00 0.00 N ATOM 29402 N1 A A1374 230.384 135.828 -17.079 0.00 0.00 N ATOM 29403 C2 A A1374 231.474 136.038 -17.812 0.00 0.00 C ATOM 29404 N3 A A1374 232.275 137.102 -17.833 0.00 0.00 N ATOM 29405 C4 A A1374 231.862 138.068 -16.967 0.00 0.00 C ATOM 29406 P A A1375 232.246 142.259 -21.187 0.00 0.00 P ATOM 29407 O1P A A1375 232.905 143.011 -22.283 0.00 0.00 O ATOM 29408 O2P A A1375 230.986 142.733 -20.558 0.00 0.00 O ATOM 29409 O5* A A1375 232.031 140.710 -21.573 0.00 0.00 O ATOM 29410 C5* A A1375 232.993 139.903 -22.230 0.00 0.00 C ATOM 29411 C4* A A1375 232.408 138.492 -22.414 0.00 0.00 C ATOM 29412 O4* A A1375 232.144 137.831 -21.175 0.00 0.00 O ATOM 29413 C3* A A1375 231.087 138.524 -23.180 0.00 0.00 C ATOM 29414 O3* A A1375 231.281 138.658 -24.582 0.00 0.00 O ATOM 29415 C2* A A1375 230.502 137.180 -22.747 0.00 0.00 C ATOM 29416 O2* A A1375 231.091 136.110 -23.480 0.00 0.00 O ATOM 29417 C1* A A1375 230.932 137.085 -21.280 0.00 0.00 C ATOM 29418 N9 A A1375 229.915 137.655 -20.354 0.00 0.00 N ATOM 29419 C8 A A1375 229.914 138.902 -19.778 0.00 0.00 C ATOM 29420 N7 A A1375 228.952 139.106 -18.920 0.00 0.00 N ATOM 29421 C5 A A1375 228.248 137.902 -18.934 0.00 0.00 C ATOM 29422 C6 A A1375 227.088 137.439 -18.267 0.00 0.00 C ATOM 29423 N6 A A1375 226.375 138.150 -17.409 0.00 0.00 N ATOM 29424 N1 A A1375 226.587 136.234 -18.544 0.00 0.00 N ATOM 29425 C2 A A1375 227.218 135.493 -19.444 0.00 0.00 C ATOM 29426 N3 A A1375 228.330 135.775 -20.127 0.00 0.00 N ATOM 29427 C4 A A1375 228.805 137.020 -19.826 0.00 0.00 C ATOM 29428 P U A1376 230.216 139.438 -25.497 0.00 0.00 P ATOM 29429 O1P U A1376 230.668 139.387 -26.908 0.00 0.00 O ATOM 29430 O2P U A1376 229.946 140.744 -24.865 0.00 0.00 O ATOM 29431 O5* U A1376 228.900 138.526 -25.323 0.00 0.00 O ATOM 29432 C5* U A1376 228.828 137.188 -25.779 0.00 0.00 C ATOM 29433 C4* U A1376 227.575 136.502 -25.214 0.00 0.00 C ATOM 29434 O4* U A1376 227.597 136.346 -23.802 0.00 0.00 O ATOM 29435 C3* U A1376 226.280 137.225 -25.553 0.00 0.00 C ATOM 29436 O3* U A1376 225.916 136.864 -26.863 0.00 0.00 O ATOM 29437 C2* U A1376 225.362 136.627 -24.489 0.00 0.00 C ATOM 29438 O2* U A1376 224.968 135.311 -24.871 0.00 0.00 O ATOM 29439 C1* U A1376 226.294 136.542 -23.277 0.00 0.00 C ATOM 29440 N1 U A1376 226.214 137.748 -22.392 0.00 0.00 N ATOM 29441 C2 U A1376 225.305 137.693 -21.333 0.00 0.00 C ATOM 29442 O2 U A1376 224.567 136.728 -21.137 0.00 0.00 O ATOM 29443 N3 U A1376 225.261 138.783 -20.484 0.00 0.00 N ATOM 29444 C4 U A1376 225.968 139.957 -20.627 0.00 0.00 C ATOM 29445 O4 U A1376 225.762 140.900 -19.864 0.00 0.00 O ATOM 29446 C5 U A1376 226.899 139.941 -21.735 0.00 0.00 C ATOM 29447 C6 U A1376 227.002 138.870 -22.568 0.00 0.00 C ATOM 29448 P A A1377 224.713 137.538 -27.647 0.00 0.00 P ATOM 29449 O1P A A1377 224.596 136.762 -28.902 0.00 0.00 O ATOM 29450 O2P A A1377 224.947 139.001 -27.746 0.00 0.00 O ATOM 29451 O5* A A1377 223.368 137.315 -26.812 0.00 0.00 O ATOM 29452 C5* A A1377 222.497 136.248 -27.134 0.00 0.00 C ATOM 29453 C4* A A1377 221.337 136.157 -26.147 0.00 0.00 C ATOM 29454 O4* A A1377 221.814 135.962 -24.821 0.00 0.00 O ATOM 29455 C3* A A1377 220.450 137.399 -26.099 0.00 0.00 C ATOM 29456 O3* A A1377 219.546 137.500 -27.176 0.00 0.00 O ATOM 29457 C2* A A1377 219.764 137.159 -24.755 0.00 0.00 C ATOM 29458 O2* A A1377 218.783 136.138 -24.789 0.00 0.00 O ATOM 29459 C1* A A1377 220.921 136.614 -23.923 0.00 0.00 C ATOM 29460 N9 A A1377 221.598 137.709 -23.189 0.00 0.00 N ATOM 29461 C8 A A1377 222.523 138.622 -23.632 0.00 0.00 C ATOM 29462 N7 A A1377 222.938 139.460 -22.717 0.00 0.00 N ATOM 29463 C5 A A1377 222.163 139.125 -21.600 0.00 0.00 C ATOM 29464 C6 A A1377 221.975 139.672 -20.302 0.00 0.00 C ATOM 29465 N6 A A1377 222.621 140.705 -19.786 0.00 0.00 N ATOM 29466 N1 A A1377 221.008 139.214 -19.498 0.00 0.00 N ATOM 29467 C2 A A1377 220.266 138.206 -19.939 0.00 0.00 C ATOM 29468 N3 A A1377 220.366 137.559 -21.093 0.00 0.00 N ATOM 29469 C4 A A1377 221.328 138.080 -21.897 0.00 0.00 C ATOM 29470 P C A1378 218.662 138.821 -27.365 0.00 0.00 P ATOM 29471 O1P C A1378 219.579 139.977 -27.335 0.00 0.00 O ATOM 29472 O2P C A1378 217.531 138.751 -26.415 0.00 0.00 O ATOM 29473 O5* C A1378 218.142 138.597 -28.869 0.00 0.00 O ATOM 29474 C5* C A1378 218.834 139.139 -29.987 0.00 0.00 C ATOM 29475 C4* C A1378 218.712 138.243 -31.226 0.00 0.00 C ATOM 29476 O4* C A1378 219.502 137.066 -31.075 0.00 0.00 O ATOM 29477 C3* C A1378 217.282 137.810 -31.527 0.00 0.00 C ATOM 29478 O3* C A1378 216.594 138.782 -32.296 0.00 0.00 O ATOM 29479 C2* C A1378 217.530 136.500 -32.285 0.00 0.00 C ATOM 29480 O2* C A1378 217.883 136.667 -33.652 0.00 0.00 O ATOM 29481 C1* C A1378 218.798 135.956 -31.624 0.00 0.00 C ATOM 29482 N1 C A1378 218.534 134.892 -30.611 0.00 0.00 N ATOM 29483 C2 C A1378 218.319 133.584 -31.065 0.00 0.00 C ATOM 29484 O2 C A1378 218.265 133.340 -32.269 0.00 0.00 O ATOM 29485 N3 C A1378 218.194 132.566 -30.171 0.00 0.00 N ATOM 29486 C4 C A1378 218.358 132.812 -28.883 0.00 0.00 C ATOM 29487 N4 C A1378 218.244 131.767 -28.095 0.00 0.00 N ATOM 29488 C5 C A1378 218.587 134.123 -28.369 0.00 0.00 C ATOM 29489 C6 C A1378 218.640 135.140 -29.265 0.00 0.00 C ATOM 29490 P G A1379 215.026 139.047 -32.091 0.00 0.00 P ATOM 29491 O1P G A1379 214.519 139.773 -33.272 0.00 0.00 O ATOM 29492 O2P G A1379 214.838 139.608 -30.737 0.00 0.00 O ATOM 29493 O5* G A1379 214.451 137.542 -32.128 0.00 0.00 O ATOM 29494 C5* G A1379 213.695 137.010 -31.056 0.00 0.00 C ATOM 29495 C4* G A1379 213.893 135.498 -31.002 0.00 0.00 C ATOM 29496 O4* G A1379 215.115 135.188 -30.344 0.00 0.00 O ATOM 29497 C3* G A1379 212.798 134.821 -30.192 0.00 0.00 C ATOM 29498 O3* G A1379 211.608 134.679 -30.952 0.00 0.00 O ATOM 29499 C2* G A1379 213.501 133.520 -29.791 0.00 0.00 C ATOM 29500 O2* G A1379 213.541 132.539 -30.820 0.00 0.00 O ATOM 29501 C1* G A1379 214.935 134.020 -29.562 0.00 0.00 C ATOM 29502 N9 G A1379 215.222 134.297 -28.131 0.00 0.00 N ATOM 29503 C8 G A1379 215.496 135.477 -27.480 0.00 0.00 C ATOM 29504 N7 G A1379 215.801 135.335 -26.214 0.00 0.00 N ATOM 29505 C5 G A1379 215.748 133.955 -26.006 0.00 0.00 C ATOM 29506 C6 G A1379 216.000 133.138 -24.843 0.00 0.00 C ATOM 29507 O6 G A1379 216.325 133.446 -23.696 0.00 0.00 O ATOM 29508 N1 G A1379 215.816 131.792 -25.088 0.00 0.00 N ATOM 29509 C2 G A1379 215.446 131.280 -26.294 0.00 0.00 C ATOM 29510 N2 G A1379 215.314 129.987 -26.368 0.00 0.00 N ATOM 29511 N3 G A1379 215.209 131.992 -27.388 0.00 0.00 N ATOM 29512 C4 G A1379 215.377 133.327 -27.178 0.00 0.00 C ATOM 29513 P U A1380 210.172 134.656 -30.244 0.00 0.00 P ATOM 29514 O1P U A1380 209.114 134.663 -31.278 0.00 0.00 O ATOM 29515 O2P U A1380 210.162 135.679 -29.177 0.00 0.00 O ATOM 29516 O5* U A1380 210.166 133.225 -29.537 0.00 0.00 O ATOM 29517 C5* U A1380 210.039 132.023 -30.279 0.00 0.00 C ATOM 29518 C4* U A1380 209.966 130.853 -29.296 0.00 0.00 C ATOM 29519 O4* U A1380 211.168 130.845 -28.549 0.00 0.00 O ATOM 29520 C3* U A1380 208.829 131.027 -28.294 0.00 0.00 C ATOM 29521 O3* U A1380 207.544 130.706 -28.829 0.00 0.00 O ATOM 29522 C2* U A1380 209.391 130.474 -26.963 0.00 0.00 C ATOM 29523 O2* U A1380 209.232 129.142 -26.547 0.00 0.00 O ATOM 29524 C1* U A1380 210.896 130.483 -27.210 0.00 0.00 C ATOM 29525 N1 U A1380 211.569 131.362 -26.239 0.00 0.00 N ATOM 29526 C2 U A1380 212.029 130.790 -25.051 0.00 0.00 C ATOM 29527 O2 U A1380 211.866 129.603 -24.752 0.00 0.00 O ATOM 29528 N3 U A1380 212.657 131.649 -24.175 0.00 0.00 N ATOM 29529 C4 U A1380 212.831 133.005 -24.345 0.00 0.00 C ATOM 29530 O4 U A1380 213.355 133.674 -23.460 0.00 0.00 O ATOM 29531 C5 U A1380 212.298 133.524 -25.584 0.00 0.00 C ATOM 29532 C6 U A1380 211.680 132.711 -26.475 0.00 0.00 C ATOM 29533 P U A1381 206.930 129.238 -28.978 0.00 0.00 P ATOM 29534 O1P U A1381 205.675 129.385 -29.772 0.00 0.00 O ATOM 29535 O2P U A1381 206.905 128.674 -27.613 0.00 0.00 O ATOM 29536 O5* U A1381 207.962 128.353 -29.847 0.00 0.00 O ATOM 29537 C5* U A1381 207.520 127.507 -30.903 0.00 0.00 C ATOM 29538 C4* U A1381 208.422 126.276 -31.083 0.00 0.00 C ATOM 29539 O4* U A1381 209.746 126.660 -31.423 0.00 0.00 O ATOM 29540 C3* U A1381 208.500 125.374 -29.849 0.00 0.00 C ATOM 29541 O3* U A1381 207.385 124.476 -29.768 0.00 0.00 O ATOM 29542 C2* U A1381 209.837 124.674 -30.139 0.00 0.00 C ATOM 29543 O2* U A1381 209.673 123.567 -31.013 0.00 0.00 O ATOM 29544 C1* U A1381 210.671 125.700 -30.922 0.00 0.00 C ATOM 29545 N1 U A1381 211.784 126.338 -30.149 0.00 0.00 N ATOM 29546 C2 U A1381 212.858 125.539 -29.722 0.00 0.00 C ATOM 29547 O2 U A1381 212.916 124.329 -29.924 0.00 0.00 O ATOM 29548 N3 U A1381 213.905 126.174 -29.065 0.00 0.00 N ATOM 29549 C4 U A1381 214.018 127.539 -28.883 0.00 0.00 C ATOM 29550 O4 U A1381 214.984 128.020 -28.305 0.00 0.00 O ATOM 29551 C5 U A1381 212.922 128.306 -29.425 0.00 0.00 C ATOM 29552 C6 U A1381 211.858 127.709 -30.020 0.00 0.00 C ATOM 29553 P C A1382 207.065 123.618 -28.444 0.00 0.00 P ATOM 29554 O1P C A1382 206.079 122.584 -28.872 0.00 0.00 O ATOM 29555 O2P C A1382 206.649 124.555 -27.395 0.00 0.00 O ATOM 29556 O5* C A1382 208.396 122.846 -27.978 0.00 0.00 O ATOM 29557 C5* C A1382 208.814 121.631 -28.583 0.00 0.00 C ATOM 29558 C4* C A1382 210.198 121.208 -28.090 0.00 0.00 C ATOM 29559 O4* C A1382 211.186 122.202 -28.299 0.00 0.00 O ATOM 29560 C3* C A1382 210.194 120.891 -26.602 0.00 0.00 C ATOM 29561 O3* C A1382 209.591 119.618 -26.396 0.00 0.00 O ATOM 29562 C2* C A1382 211.700 120.978 -26.317 0.00 0.00 C ATOM 29563 O2* C A1382 212.387 119.794 -26.701 0.00 0.00 O ATOM 29564 C1* C A1382 212.157 122.105 -27.261 0.00 0.00 C ATOM 29565 N1 C A1382 212.357 123.429 -26.589 0.00 0.00 N ATOM 29566 C2 C A1382 213.624 123.734 -26.068 0.00 0.00 C ATOM 29567 O2 C A1382 214.500 122.876 -26.044 0.00 0.00 O ATOM 29568 N3 C A1382 213.896 124.990 -25.604 0.00 0.00 N ATOM 29569 C4 C A1382 212.941 125.908 -25.653 0.00 0.00 C ATOM 29570 N4 C A1382 213.236 127.110 -25.218 0.00 0.00 N ATOM 29571 C5 C A1382 211.634 125.647 -26.158 0.00 0.00 C ATOM 29572 C6 C A1382 211.379 124.394 -26.608 0.00 0.00 C ATOM 29573 P C A1383 208.791 119.267 -25.059 0.00 0.00 P ATOM 29574 O1P C A1383 208.416 117.834 -25.167 0.00 0.00 O ATOM 29575 O2P C A1383 207.708 120.264 -24.912 0.00 0.00 O ATOM 29576 O5* C A1383 209.902 119.422 -23.903 0.00 0.00 O ATOM 29577 C5* C A1383 210.895 118.417 -23.719 0.00 0.00 C ATOM 29578 C4* C A1383 211.911 118.751 -22.619 0.00 0.00 C ATOM 29579 O4* C A1383 212.716 119.866 -22.969 0.00 0.00 O ATOM 29580 C3* C A1383 211.263 119.063 -21.275 0.00 0.00 C ATOM 29581 O3* C A1383 210.869 117.873 -20.591 0.00 0.00 O ATOM 29582 C2* C A1383 212.390 119.858 -20.601 0.00 0.00 C ATOM 29583 O2* C A1383 213.391 119.038 -20.008 0.00 0.00 O ATOM 29584 C1* C A1383 213.024 120.602 -21.790 0.00 0.00 C ATOM 29585 N1 C A1383 212.566 122.021 -21.909 0.00 0.00 N ATOM 29586 C2 C A1383 213.213 123.000 -21.144 0.00 0.00 C ATOM 29587 O2 C A1383 214.067 122.683 -20.318 0.00 0.00 O ATOM 29588 N3 C A1383 212.899 124.313 -21.302 0.00 0.00 N ATOM 29589 C4 C A1383 212.008 124.658 -22.219 0.00 0.00 C ATOM 29590 N4 C A1383 211.772 125.942 -22.355 0.00 0.00 N ATOM 29591 C5 C A1383 211.300 123.704 -23.010 0.00 0.00 C ATOM 29592 C6 C A1383 211.594 122.395 -22.806 0.00 0.00 C ATOM 29593 P C A1384 209.557 117.846 -19.668 0.00 0.00 P ATOM 29594 O1P C A1384 209.504 116.475 -19.103 0.00 0.00 O ATOM 29595 O2P C A1384 208.416 118.319 -20.478 0.00 0.00 O ATOM 29596 O5* C A1384 209.907 118.887 -18.488 0.00 0.00 O ATOM 29597 C5* C A1384 210.785 118.522 -17.431 0.00 0.00 C ATOM 29598 C4* C A1384 211.032 119.651 -16.421 0.00 0.00 C ATOM 29599 O4* C A1384 211.767 120.740 -16.974 0.00 0.00 O ATOM 29600 C3* C A1384 209.754 120.234 -15.828 0.00 0.00 C ATOM 29601 O3* C A1384 209.158 119.344 -14.880 0.00 0.00 O ATOM 29602 C2* C A1384 210.329 121.544 -15.265 0.00 0.00 C ATOM 29603 O2* C A1384 211.071 121.347 -14.065 0.00 0.00 O ATOM 29604 C1* C A1384 211.326 121.954 -16.362 0.00 0.00 C ATOM 29605 N1 C A1384 210.738 122.888 -17.376 0.00 0.00 N ATOM 29606 C2 C A1384 210.701 124.268 -17.105 0.00 0.00 C ATOM 29607 O2 C A1384 210.984 124.708 -15.988 0.00 0.00 O ATOM 29608 N3 C A1384 210.304 125.146 -18.073 0.00 0.00 N ATOM 29609 C4 C A1384 209.896 124.665 -19.245 0.00 0.00 C ATOM 29610 N4 C A1384 209.437 125.524 -20.126 0.00 0.00 N ATOM 29611 C5 C A1384 209.866 123.273 -19.550 0.00 0.00 C ATOM 29612 C6 C A1384 210.289 122.420 -18.588 0.00 0.00 C ATOM 29613 P G A1385 207.572 119.313 -14.655 0.00 0.00 P ATOM 29614 O1P G A1385 207.219 118.216 -13.718 0.00 0.00 O ATOM 29615 O2P G A1385 206.933 119.196 -15.980 0.00 0.00 O ATOM 29616 O5* G A1385 207.230 120.707 -13.979 0.00 0.00 O ATOM 29617 C5* G A1385 207.659 120.947 -12.655 0.00 0.00 C ATOM 29618 C4* G A1385 207.580 122.418 -12.295 0.00 0.00 C ATOM 29619 O4* G A1385 208.486 123.192 -13.080 0.00 0.00 O ATOM 29620 C3* G A1385 206.210 123.074 -12.467 0.00 0.00 C ATOM 29621 O3* G A1385 205.228 122.669 -11.519 0.00 0.00 O ATOM 29622 C2* G A1385 206.697 124.521 -12.330 0.00 0.00 C ATOM 29623 O2* G A1385 207.238 124.796 -11.041 0.00 0.00 O ATOM 29624 C1* G A1385 207.919 124.488 -13.245 0.00 0.00 C ATOM 29625 N9 G A1385 207.583 124.750 -14.667 0.00 0.00 N ATOM 29626 C8 G A1385 207.455 123.883 -15.722 0.00 0.00 C ATOM 29627 N7 G A1385 207.294 124.467 -16.881 0.00 0.00 N ATOM 29628 C5 G A1385 207.286 125.833 -16.575 0.00 0.00 C ATOM 29629 C6 G A1385 207.166 127.017 -17.395 0.00 0.00 C ATOM 29630 O6 G A1385 207.100 127.139 -18.621 0.00 0.00 O ATOM 29631 N1 G A1385 207.131 128.187 -16.650 0.00 0.00 N ATOM 29632 C2 G A1385 207.260 128.225 -15.290 0.00 0.00 C ATOM 29633 N2 G A1385 207.244 129.383 -14.683 0.00 0.00 N ATOM 29634 N3 G A1385 207.415 127.161 -14.514 0.00 0.00 N ATOM 29635 C4 G A1385 207.416 125.995 -15.212 0.00 0.00 C ATOM 29636 P G A1386 203.657 122.720 -11.884 0.00 0.00 P ATOM 29637 O1P G A1386 202.880 122.257 -10.709 0.00 0.00 O ATOM 29638 O2P G A1386 203.485 121.998 -13.165 0.00 0.00 O ATOM 29639 O5* G A1386 203.364 124.290 -12.135 0.00 0.00 O ATOM 29640 C5* G A1386 203.426 125.237 -11.076 0.00 0.00 C ATOM 29641 C4* G A1386 203.286 126.674 -11.590 0.00 0.00 C ATOM 29642 O4* G A1386 204.301 126.976 -12.544 0.00 0.00 O ATOM 29643 C3* G A1386 201.990 126.970 -12.343 0.00 0.00 C ATOM 29644 O3* G A1386 200.792 126.997 -11.572 0.00 0.00 O ATOM 29645 C2* G A1386 202.389 128.307 -12.983 0.00 0.00 C ATOM 29646 O2* G A1386 202.417 129.383 -12.060 0.00 0.00 O ATOM 29647 C1* G A1386 203.834 128.012 -13.394 0.00 0.00 C ATOM 29648 N9 G A1386 203.889 127.628 -14.825 0.00 0.00 N ATOM 29649 C8 G A1386 203.989 126.398 -15.422 0.00 0.00 C ATOM 29650 N7 G A1386 203.868 126.427 -16.727 0.00 0.00 N ATOM 29651 C5 G A1386 203.740 127.788 -17.029 0.00 0.00 C ATOM 29652 C6 G A1386 203.592 128.494 -18.280 0.00 0.00 C ATOM 29653 O6 G A1386 203.543 128.047 -19.434 0.00 0.00 O ATOM 29654 N1 G A1386 203.462 129.867 -18.100 0.00 0.00 N ATOM 29655 C2 G A1386 203.449 130.480 -16.874 0.00 0.00 C ATOM 29656 N2 G A1386 203.231 131.767 -16.796 0.00 0.00 N ATOM 29657 N3 G A1386 203.577 129.854 -15.714 0.00 0.00 N ATOM 29658 C4 G A1386 203.738 128.513 -15.858 0.00 0.00 C ATOM 29659 P G A1387 199.345 127.023 -12.284 0.00 0.00 P ATOM 29660 O1P G A1387 198.304 126.557 -11.337 0.00 0.00 O ATOM 29661 O2P G A1387 199.473 126.318 -13.586 0.00 0.00 O ATOM 29662 O5* G A1387 199.114 128.567 -12.668 0.00 0.00 O ATOM 29663 C5* G A1387 199.132 129.642 -11.739 0.00 0.00 C ATOM 29664 C4* G A1387 199.017 130.962 -12.516 0.00 0.00 C ATOM 29665 O4* G A1387 200.137 131.150 -13.386 0.00 0.00 O ATOM 29666 C3* G A1387 197.762 131.034 -13.393 0.00 0.00 C ATOM 29667 O3* G A1387 196.564 131.266 -12.646 0.00 0.00 O ATOM 29668 C2* G A1387 198.217 132.142 -14.357 0.00 0.00 C ATOM 29669 O2* G A1387 198.315 133.426 -13.760 0.00 0.00 O ATOM 29670 C1* G A1387 199.670 131.726 -14.604 0.00 0.00 C ATOM 29671 N9 G A1387 199.819 130.758 -15.719 0.00 0.00 N ATOM 29672 C8 G A1387 199.975 129.398 -15.678 0.00 0.00 C ATOM 29673 N7 G A1387 200.127 128.818 -16.844 0.00 0.00 N ATOM 29674 C5 G A1387 200.055 129.901 -17.747 0.00 0.00 C ATOM 29675 C6 G A1387 200.104 129.972 -19.193 0.00 0.00 C ATOM 29676 O6 G A1387 200.287 129.074 -20.019 0.00 0.00 O ATOM 29677 N1 G A1387 199.848 131.246 -19.681 0.00 0.00 N ATOM 29678 C2 G A1387 199.675 132.344 -18.884 0.00 0.00 C ATOM 29679 N2 G A1387 199.375 133.486 -19.448 0.00 0.00 N ATOM 29680 N3 G A1387 199.682 132.327 -17.557 0.00 0.00 N ATOM 29681 C4 G A1387 199.854 131.077 -17.050 0.00 0.00 C ATOM 29682 P C A1388 195.140 130.667 -13.113 0.00 0.00 P ATOM 29683 O1P C A1388 194.152 130.877 -12.014 0.00 0.00 O ATOM 29684 O2P C A1388 195.372 129.286 -13.585 0.00 0.00 O ATOM 29685 O5* C A1388 194.732 131.555 -14.384 0.00 0.00 O ATOM 29686 C5* C A1388 194.548 132.962 -14.317 0.00 0.00 C ATOM 29687 C4* C A1388 194.315 133.574 -15.712 0.00 0.00 C ATOM 29688 O4* C A1388 195.501 133.571 -16.510 0.00 0.00 O ATOM 29689 C3* C A1388 193.251 132.854 -16.545 0.00 0.00 C ATOM 29690 O3* C A1388 191.919 133.163 -16.158 0.00 0.00 O ATOM 29691 C2* C A1388 193.640 133.324 -17.952 0.00 0.00 C ATOM 29692 O2* C A1388 193.326 134.682 -18.229 0.00 0.00 O ATOM 29693 C1* C A1388 195.165 133.258 -17.867 0.00 0.00 C ATOM 29694 N1 C A1388 195.708 131.921 -18.261 0.00 0.00 N ATOM 29695 C2 C A1388 195.851 131.600 -19.624 0.00 0.00 C ATOM 29696 O2 C A1388 195.476 132.356 -20.525 0.00 0.00 O ATOM 29697 N3 C A1388 196.412 130.409 -19.973 0.00 0.00 N ATOM 29698 C4 C A1388 196.832 129.580 -19.024 0.00 0.00 C ATOM 29699 N4 C A1388 197.393 128.459 -19.402 0.00 0.00 N ATOM 29700 C5 C A1388 196.699 129.851 -17.636 0.00 0.00 C ATOM 29701 C6 C A1388 196.122 131.025 -17.300 0.00 0.00 C ATOM 29702 P C A1389 190.738 132.072 -16.285 0.00 0.00 P ATOM 29703 O1P C A1389 189.555 132.578 -15.564 0.00 0.00 O ATOM 29704 O2P C A1389 191.313 130.757 -15.924 0.00 0.00 O ATOM 29705 O5* C A1389 190.410 132.042 -17.857 0.00 0.00 O ATOM 29706 C5* C A1389 189.763 133.111 -18.522 0.00 0.00 C ATOM 29707 C4* C A1389 189.777 132.889 -20.042 0.00 0.00 C ATOM 29708 O4* C A1389 191.112 132.808 -20.543 0.00 0.00 O ATOM 29709 C3* C A1389 189.063 131.616 -20.488 0.00 0.00 C ATOM 29710 O3* C A1389 187.653 131.791 -20.561 0.00 0.00 O ATOM 29711 C2* C A1389 189.729 131.398 -21.855 0.00 0.00 C ATOM 29712 O2* C A1389 189.186 132.211 -22.894 0.00 0.00 O ATOM 29713 C1* C A1389 191.170 131.849 -21.597 0.00 0.00 C ATOM 29714 N1 C A1389 192.045 130.688 -21.246 0.00 0.00 N ATOM 29715 C2 C A1389 192.554 129.867 -22.271 0.00 0.00 C ATOM 29716 O2 C A1389 192.260 130.049 -23.459 0.00 0.00 O ATOM 29717 N3 C A1389 193.391 128.839 -21.956 0.00 0.00 N ATOM 29718 C4 C A1389 193.731 128.638 -20.683 0.00 0.00 C ATOM 29719 N4 C A1389 194.575 127.666 -20.429 0.00 0.00 N ATOM 29720 C5 C A1389 193.204 129.412 -19.610 0.00 0.00 C ATOM 29721 C6 C A1389 192.358 130.416 -19.935 0.00 0.00 C ATOM 29722 P U A1390 186.636 130.567 -20.420 0.00 0.00 P ATOM 29723 O1P U A1390 185.275 131.126 -20.665 0.00 0.00 O ATOM 29724 O2P U A1390 186.885 129.820 -19.177 0.00 0.00 O ATOM 29725 O5* U A1390 186.963 129.602 -21.651 0.00 0.00 O ATOM 29726 C5* U A1390 186.629 129.984 -22.967 0.00 0.00 C ATOM 29727 C4* U A1390 187.298 129.088 -24.009 0.00 0.00 C ATOM 29728 O4* U A1390 188.710 129.108 -23.871 0.00 0.00 O ATOM 29729 C3* U A1390 186.837 127.636 -23.963 0.00 0.00 C ATOM 29730 O3* U A1390 185.580 127.508 -24.635 0.00 0.00 O ATOM 29731 C2* U A1390 188.037 126.983 -24.663 0.00 0.00 C ATOM 29732 O2* U A1390 187.996 127.148 -26.076 0.00 0.00 O ATOM 29733 C1* U A1390 189.220 127.814 -24.142 0.00 0.00 C ATOM 29734 N1 U A1390 189.910 127.203 -22.963 0.00 0.00 N ATOM 29735 C2 U A1390 190.830 126.190 -23.237 0.00 0.00 C ATOM 29736 O2 U A1390 190.966 125.734 -24.372 0.00 0.00 O ATOM 29737 N3 U A1390 191.585 125.702 -22.178 0.00 0.00 N ATOM 29738 C4 U A1390 191.499 126.142 -20.873 0.00 0.00 C ATOM 29739 O4 U A1390 192.245 125.696 -20.008 0.00 0.00 O ATOM 29740 C5 U A1390 190.484 127.150 -20.652 0.00 0.00 C ATOM 29741 C6 U A1390 189.730 127.644 -21.669 0.00 0.00 C ATOM 29742 P U A1391 184.517 126.360 -24.259 0.00 0.00 P ATOM 29743 O1P U A1391 183.276 126.587 -25.067 0.00 0.00 O ATOM 29744 O2P U A1391 184.408 126.315 -22.788 0.00 0.00 O ATOM 29745 O5* U A1391 185.227 125.016 -24.767 0.00 0.00 O ATOM 29746 C5* U A1391 185.406 124.741 -26.145 0.00 0.00 C ATOM 29747 C4* U A1391 186.253 123.485 -26.365 0.00 0.00 C ATOM 29748 O4* U A1391 187.600 123.670 -25.963 0.00 0.00 O ATOM 29749 C3* U A1391 185.698 122.261 -25.639 0.00 0.00 C ATOM 29750 O3* U A1391 184.552 121.798 -26.357 0.00 0.00 O ATOM 29751 C2* U A1391 186.963 121.391 -25.685 0.00 0.00 C ATOM 29752 O2* U A1391 187.096 120.787 -26.964 0.00 0.00 O ATOM 29753 C1* U A1391 188.093 122.419 -25.490 0.00 0.00 C ATOM 29754 N1 U A1391 188.523 122.569 -24.064 0.00 0.00 N ATOM 29755 C2 U A1391 189.562 121.762 -23.576 0.00 0.00 C ATOM 29756 O2 U A1391 190.056 120.826 -24.210 0.00 0.00 O ATOM 29757 N3 U A1391 190.045 122.068 -22.312 0.00 0.00 N ATOM 29758 C4 U A1391 189.576 123.064 -21.486 0.00 0.00 C ATOM 29759 O4 U A1391 190.085 123.253 -20.392 0.00 0.00 O ATOM 29760 C5 U A1391 188.483 123.830 -22.036 0.00 0.00 C ATOM 29761 C6 U A1391 187.986 123.562 -23.269 0.00 0.00 C ATOM 29762 P G A1392 183.503 120.733 -25.778 0.00 0.00 P ATOM 29763 O1P G A1392 182.499 120.482 -26.839 0.00 0.00 O ATOM 29764 O2P G A1392 182.989 121.212 -24.473 0.00 0.00 O ATOM 29765 O5* G A1392 184.338 119.390 -25.547 0.00 0.00 O ATOM 29766 C5* G A1392 184.726 118.576 -26.640 0.00 0.00 C ATOM 29767 C4* G A1392 185.585 117.399 -26.187 0.00 0.00 C ATOM 29768 O4* G A1392 186.909 117.794 -25.861 0.00 0.00 O ATOM 29769 C3* G A1392 185.031 116.657 -24.969 0.00 0.00 C ATOM 29770 O3* G A1392 183.903 115.866 -25.310 0.00 0.00 O ATOM 29771 C2* G A1392 186.299 115.881 -24.607 0.00 0.00 C ATOM 29772 O2* G A1392 186.507 114.820 -25.530 0.00 0.00 O ATOM 29773 C1* G A1392 187.367 116.964 -24.803 0.00 0.00 C ATOM 29774 N9 G A1392 187.528 117.821 -23.597 0.00 0.00 N ATOM 29775 C8 G A1392 186.825 118.940 -23.237 0.00 0.00 C ATOM 29776 N7 G A1392 187.335 119.617 -22.246 0.00 0.00 N ATOM 29777 C5 G A1392 188.419 118.834 -21.845 0.00 0.00 C ATOM 29778 C6 G A1392 189.377 118.999 -20.782 0.00 0.00 C ATOM 29779 O6 G A1392 189.557 119.939 -20.011 0.00 0.00 O ATOM 29780 N1 G A1392 190.214 117.911 -20.643 0.00 0.00 N ATOM 29781 C2 G A1392 190.181 116.829 -21.468 0.00 0.00 C ATOM 29782 N2 G A1392 191.026 115.871 -21.235 0.00 0.00 N ATOM 29783 N3 G A1392 189.355 116.660 -22.495 0.00 0.00 N ATOM 29784 C4 G A1392 188.492 117.700 -22.632 0.00 0.00 C ATOM 29785 P U A1393 182.970 115.186 -24.207 0.00 0.00 P ATOM 29786 O1P U A1393 182.035 114.309 -24.947 0.00 0.00 O ATOM 29787 O2P U A1393 182.337 116.230 -23.367 0.00 0.00 O ATOM 29788 O5* U A1393 183.923 114.322 -23.234 0.00 0.00 O ATOM 29789 C5* U A1393 184.491 113.063 -23.583 0.00 0.00 C ATOM 29790 C4* U A1393 185.457 112.575 -22.487 0.00 0.00 C ATOM 29791 O4* U A1393 186.556 113.456 -22.288 0.00 0.00 O ATOM 29792 C3* U A1393 184.831 112.476 -21.103 0.00 0.00 C ATOM 29793 O3* U A1393 183.866 111.452 -20.984 0.00 0.00 O ATOM 29794 C2* U A1393 186.095 112.336 -20.246 0.00 0.00 C ATOM 29795 O2* U A1393 186.734 111.065 -20.358 0.00 0.00 O ATOM 29796 C1* U A1393 186.988 113.384 -20.925 0.00 0.00 C ATOM 29797 N1 U A1393 186.903 114.727 -20.273 0.00 0.00 N ATOM 29798 C2 U A1393 187.734 114.986 -19.173 0.00 0.00 C ATOM 29799 O2 U A1393 188.465 114.133 -18.674 0.00 0.00 O ATOM 29800 N3 U A1393 187.713 116.274 -18.665 0.00 0.00 N ATOM 29801 C4 U A1393 186.971 117.324 -19.162 0.00 0.00 C ATOM 29802 O4 U A1393 187.074 118.442 -18.679 0.00 0.00 O ATOM 29803 C5 U A1393 186.121 116.979 -20.279 0.00 0.00 C ATOM 29804 C6 U A1393 186.098 115.721 -20.787 0.00 0.00 C ATOM 29805 P A A1394 182.975 111.312 -19.656 0.00 0.00 P ATOM 29806 O1P A A1394 181.571 111.115 -20.071 0.00 0.00 O ATOM 29807 O2P A A1394 183.334 112.398 -18.713 0.00 0.00 O ATOM 29808 O5* A A1394 183.560 109.935 -19.083 0.00 0.00 O ATOM 29809 C5* A A1394 183.018 109.323 -17.930 0.00 0.00 C ATOM 29810 C4* A A1394 183.672 107.959 -17.655 0.00 0.00 C ATOM 29811 O4* A A1394 183.476 107.062 -18.750 0.00 0.00 O ATOM 29812 C3* A A1394 185.180 108.067 -17.422 0.00 0.00 C ATOM 29813 O3* A A1394 185.585 107.077 -16.490 0.00 0.00 O ATOM 29814 C2* A A1394 185.713 107.811 -18.824 0.00 0.00 C ATOM 29815 O2* A A1394 187.044 107.343 -18.810 0.00 0.00 O ATOM 29816 C1* A A1394 184.725 106.790 -19.382 0.00 0.00 C ATOM 29817 N9 A A1394 184.577 106.839 -20.862 0.00 0.00 N ATOM 29818 C8 A A1394 183.970 107.806 -21.630 0.00 0.00 C ATOM 29819 N7 A A1394 183.913 107.527 -22.907 0.00 0.00 N ATOM 29820 C5 A A1394 184.556 106.289 -22.998 0.00 0.00 C ATOM 29821 C6 A A1394 184.899 105.432 -24.077 0.00 0.00 C ATOM 29822 N6 A A1394 184.618 105.692 -25.348 0.00 0.00 N ATOM 29823 N1 A A1394 185.624 104.321 -23.874 0.00 0.00 N ATOM 29824 C2 A A1394 185.982 104.058 -22.616 0.00 0.00 C ATOM 29825 N3 A A1394 185.700 104.741 -21.507 0.00 0.00 N ATOM 29826 C4 A A1394 184.992 105.878 -21.764 0.00 0.00 C ATOM 29827 P C A1395 185.591 107.423 -14.934 0.00 0.00 P ATOM 29828 O1P C A1395 185.707 106.172 -14.150 0.00 0.00 O ATOM 29829 O2P C A1395 184.475 108.349 -14.664 0.00 0.00 O ATOM 29830 O5* C A1395 186.963 108.233 -14.758 0.00 0.00 O ATOM 29831 C5* C A1395 188.222 107.593 -14.864 0.00 0.00 C ATOM 29832 C4* C A1395 189.334 108.500 -14.327 0.00 0.00 C ATOM 29833 O4* C A1395 189.592 109.590 -15.214 0.00 0.00 O ATOM 29834 C3* C A1395 189.011 109.049 -12.930 0.00 0.00 C ATOM 29835 O3* C A1395 189.456 108.167 -11.891 0.00 0.00 O ATOM 29836 C2* C A1395 189.811 110.346 -13.001 0.00 0.00 C ATOM 29837 O2* C A1395 191.180 110.049 -12.744 0.00 0.00 O ATOM 29838 C1* C A1395 189.684 110.800 -14.468 0.00 0.00 C ATOM 29839 N1 C A1395 188.540 111.729 -14.795 0.00 0.00 N ATOM 29840 C2 C A1395 188.625 113.087 -14.431 0.00 0.00 C ATOM 29841 O2 C A1395 189.526 113.488 -13.687 0.00 0.00 O ATOM 29842 N3 C A1395 187.714 113.990 -14.904 0.00 0.00 N ATOM 29843 C4 C A1395 186.726 113.564 -15.690 0.00 0.00 C ATOM 29844 N4 C A1395 185.852 114.442 -16.135 0.00 0.00 N ATOM 29845 C5 C A1395 186.584 112.203 -16.073 0.00 0.00 C ATOM 29846 C6 C A1395 187.505 111.323 -15.611 0.00 0.00 C ATOM 29847 P A A1396 188.637 107.945 -10.519 0.00 0.00 P ATOM 29848 O1P A A1396 189.394 106.988 -9.659 0.00 0.00 O ATOM 29849 O2P A A1396 187.265 107.566 -10.926 0.00 0.00 O ATOM 29850 O5* A A1396 188.577 109.402 -9.802 0.00 0.00 O ATOM 29851 C5* A A1396 189.742 110.018 -9.264 0.00 0.00 C ATOM 29852 C4* A A1396 189.450 111.337 -8.522 0.00 0.00 C ATOM 29853 O4* A A1396 189.006 112.299 -9.469 0.00 0.00 O ATOM 29854 C3* A A1396 188.410 111.237 -7.393 0.00 0.00 C ATOM 29855 O3* A A1396 188.855 111.913 -6.221 0.00 0.00 O ATOM 29856 C2* A A1396 187.224 111.979 -8.010 0.00 0.00 C ATOM 29857 O2* A A1396 186.419 112.673 -7.076 0.00 0.00 O ATOM 29858 C1* A A1396 187.867 112.961 -8.966 0.00 0.00 C ATOM 29859 N9 A A1396 186.970 113.295 -10.087 0.00 0.00 N ATOM 29860 C8 A A1396 186.544 112.476 -11.104 0.00 0.00 C ATOM 29861 N7 A A1396 185.831 113.076 -12.015 0.00 0.00 N ATOM 29862 C5 A A1396 185.754 114.388 -11.537 0.00 0.00 C ATOM 29863 C6 A A1396 185.165 115.570 -12.027 0.00 0.00 C ATOM 29864 N6 A A1396 184.513 115.634 -13.177 0.00 0.00 N ATOM 29865 N1 A A1396 185.309 116.724 -11.358 0.00 0.00 N ATOM 29866 C2 A A1396 185.988 116.704 -10.217 0.00 0.00 C ATOM 29867 N3 A A1396 186.587 115.674 -9.626 0.00 0.00 N ATOM 29868 C4 A A1396 186.433 114.530 -10.354 0.00 0.00 C ATOM 29869 P C A1397 189.100 111.139 -4.831 0.00 0.00 P ATOM 29870 O1P C A1397 188.137 110.018 -4.726 0.00 0.00 O ATOM 29871 O2P C A1397 189.105 112.152 -3.746 0.00 0.00 O ATOM 29872 O5* C A1397 190.579 110.528 -5.048 0.00 0.00 O ATOM 29873 C5* C A1397 191.677 111.310 -5.517 0.00 0.00 C ATOM 29874 C4* C A1397 193.007 110.758 -4.989 0.00 0.00 C ATOM 29875 O4* C A1397 192.988 110.903 -3.578 0.00 0.00 O ATOM 29876 C3* C A1397 193.221 109.262 -5.267 0.00 0.00 C ATOM 29877 O3* C A1397 193.788 108.841 -6.500 0.00 0.00 O ATOM 29878 C2* C A1397 193.911 108.718 -4.009 0.00 0.00 C ATOM 29879 O2* C A1397 195.330 108.657 -4.008 0.00 0.00 O ATOM 29880 C1* C A1397 193.541 109.759 -2.952 0.00 0.00 C ATOM 29881 N1 C A1397 192.624 109.255 -1.887 0.00 0.00 N ATOM 29882 C2 C A1397 192.952 109.525 -0.550 0.00 0.00 C ATOM 29883 O2 C A1397 193.943 110.195 -0.265 0.00 0.00 O ATOM 29884 N3 C A1397 192.177 109.025 0.453 0.00 0.00 N ATOM 29885 C4 C A1397 191.107 108.315 0.149 0.00 0.00 C ATOM 29886 N4 C A1397 190.395 107.919 1.179 0.00 0.00 N ATOM 29887 C5 C A1397 190.726 108.003 -1.190 0.00 0.00 C ATOM 29888 C6 C A1397 191.506 108.507 -2.181 0.00 0.00 C ATOM 29889 P A A1398 195.163 109.359 -7.161 0.00 0.00 P ATOM 29890 O1P A A1398 196.027 108.192 -7.431 0.00 0.00 O ATOM 29891 O2P A A1398 195.726 110.519 -6.422 0.00 0.00 O ATOM 29892 O5* A A1398 194.530 109.891 -8.529 0.00 0.00 O ATOM 29893 C5* A A1398 194.774 111.192 -9.010 0.00 0.00 C ATOM 29894 C4* A A1398 193.633 111.633 -9.927 0.00 0.00 C ATOM 29895 O4* A A1398 192.461 112.084 -9.243 0.00 0.00 O ATOM 29896 C3* A A1398 194.083 112.858 -10.689 0.00 0.00 C ATOM 29897 O3* A A1398 194.993 112.564 -11.713 0.00 0.00 O ATOM 29898 C2* A A1398 192.758 113.439 -11.154 0.00 0.00 C ATOM 29899 O2* A A1398 192.143 112.638 -12.165 0.00 0.00 O ATOM 29900 C1* A A1398 191.974 113.296 -9.845 0.00 0.00 C ATOM 29901 N9 A A1398 192.191 114.416 -8.880 0.00 0.00 N ATOM 29902 C8 A A1398 192.992 114.395 -7.761 0.00 0.00 C ATOM 29903 N7 A A1398 193.015 115.504 -7.078 0.00 0.00 N ATOM 29904 C5 A A1398 192.117 116.318 -7.772 0.00 0.00 C ATOM 29905 C6 A A1398 191.635 117.630 -7.556 0.00 0.00 C ATOM 29906 N6 A A1398 191.995 118.384 -6.529 0.00 0.00 N ATOM 29907 N1 A A1398 190.741 118.178 -8.383 0.00 0.00 N ATOM 29908 C2 A A1398 190.298 117.425 -9.382 0.00 0.00 C ATOM 29909 N3 A A1398 190.650 116.175 -9.719 0.00 0.00 N ATOM 29910 C4 A A1398 191.591 115.667 -8.862 0.00 0.00 C ATOM 29911 P C A1399 196.208 113.545 -11.925 0.00 0.00 P ATOM 29912 O1P C A1399 196.971 113.571 -10.657 0.00 0.00 O ATOM 29913 O2P C A1399 195.627 114.829 -12.378 0.00 0.00 O ATOM 29914 O5* C A1399 197.088 112.789 -13.047 0.00 0.00 O ATOM 29915 C5* C A1399 197.759 111.580 -12.685 0.00 0.00 C ATOM 29916 C4* C A1399 198.345 110.740 -13.833 0.00 0.00 C ATOM 29917 O4* C A1399 197.274 110.150 -14.557 0.00 0.00 O ATOM 29918 C3* C A1399 199.216 111.519 -14.832 0.00 0.00 C ATOM 29919 O3* C A1399 200.210 110.686 -15.427 0.00 0.00 O ATOM 29920 C2* C A1399 198.151 111.910 -15.861 0.00 0.00 C ATOM 29921 O2* C A1399 198.674 112.251 -17.138 0.00 0.00 O ATOM 29922 C1* C A1399 197.278 110.651 -15.881 0.00 0.00 C ATOM 29923 N1 C A1399 195.872 110.870 -16.325 0.00 0.00 N ATOM 29924 C2 C A1399 195.375 110.134 -17.407 0.00 0.00 C ATOM 29925 O2 C A1399 196.085 109.348 -18.034 0.00 0.00 O ATOM 29926 N3 C A1399 194.102 110.344 -17.840 0.00 0.00 N ATOM 29927 C4 C A1399 193.334 111.229 -17.212 0.00 0.00 C ATOM 29928 N4 C A1399 192.130 111.439 -17.688 0.00 0.00 N ATOM 29929 C5 C A1399 193.797 112.007 -16.115 0.00 0.00 C ATOM 29930 C6 C A1399 195.067 111.791 -15.695 0.00 0.00 C ATOM 29931 P C A1400 201.637 110.431 -14.740 0.00 0.00 P ATOM 29932 O1P C A1400 202.109 111.685 -14.119 0.00 0.00 O ATOM 29933 O2P C A1400 202.484 109.749 -15.754 0.00 0.00 O ATOM 29934 O5* C A1400 201.299 109.365 -13.583 0.00 0.00 O ATOM 29935 C5* C A1400 201.045 108.002 -13.880 0.00 0.00 C ATOM 29936 C4* C A1400 201.165 107.094 -12.647 0.00 0.00 C ATOM 29937 O4* C A1400 202.466 107.222 -12.071 0.00 0.00 O ATOM 29938 C3* C A1400 200.132 107.381 -11.547 0.00 0.00 C ATOM 29939 O3* C A1400 199.770 106.171 -10.881 0.00 0.00 O ATOM 29940 C2* C A1400 200.933 108.324 -10.640 0.00 0.00 C ATOM 29941 O2* C A1400 200.499 108.355 -9.288 0.00 0.00 O ATOM 29942 C1* C A1400 202.344 107.749 -10.756 0.00 0.00 C ATOM 29943 N1 C A1400 203.429 108.733 -10.453 0.00 0.00 N ATOM 29944 C2 C A1400 204.298 108.483 -9.380 0.00 0.00 C ATOM 29945 O2 C A1400 204.151 107.491 -8.664 0.00 0.00 O ATOM 29946 N3 C A1400 205.319 109.348 -9.108 0.00 0.00 N ATOM 29947 C4 C A1400 205.451 110.441 -9.846 0.00 0.00 C ATOM 29948 N4 C A1400 206.425 111.256 -9.494 0.00 0.00 N ATOM 29949 C5 C A1400 204.587 110.752 -10.937 0.00 0.00 C ATOM 29950 C6 C A1400 203.590 109.873 -11.206 0.00 0.00 C ATOM 29951 P G A1401 198.651 105.175 -11.479 0.00 0.00 P ATOM 29952 O1P G A1401 198.469 104.184 -10.393 0.00 0.00 O ATOM 29953 O2P G A1401 199.138 104.696 -12.787 0.00 0.00 O ATOM 29954 O5* G A1401 197.316 106.045 -11.673 0.00 0.00 O ATOM 29955 C5* G A1401 196.724 106.778 -10.609 0.00 0.00 C ATOM 29956 C4* G A1401 195.360 107.318 -11.035 0.00 0.00 C ATOM 29957 O4* G A1401 195.489 108.301 -12.061 0.00 0.00 O ATOM 29958 C3* G A1401 194.398 106.222 -11.526 0.00 0.00 C ATOM 29959 O3* G A1401 193.825 105.485 -10.429 0.00 0.00 O ATOM 29960 C2* G A1401 193.445 107.154 -12.295 0.00 0.00 C ATOM 29961 O2* G A1401 192.606 107.855 -11.385 0.00 0.00 O ATOM 29962 C1* G A1401 194.409 108.146 -12.970 0.00 0.00 C ATOM 29963 N9 G A1401 194.925 107.642 -14.272 0.00 0.00 N ATOM 29964 C8 G A1401 196.168 107.149 -14.583 0.00 0.00 C ATOM 29965 N7 G A1401 196.282 106.703 -15.805 0.00 0.00 N ATOM 29966 C5 G A1401 195.028 106.945 -16.373 0.00 0.00 C ATOM 29967 C6 G A1401 194.499 106.672 -17.688 0.00 0.00 C ATOM 29968 O6 G A1401 195.022 106.136 -18.666 0.00 0.00 O ATOM 29969 N1 G A1401 193.183 107.071 -17.827 0.00 0.00 N ATOM 29970 C2 G A1401 192.478 107.721 -16.856 0.00 0.00 C ATOM 29971 N2 G A1401 191.234 108.028 -17.124 0.00 0.00 N ATOM 29972 N3 G A1401 192.931 107.991 -15.633 0.00 0.00 N ATOM 29973 C4 G A1401 194.212 107.564 -15.446 0.00 0.00 C ATOM 29974 P C A1402 193.107 104.043 -10.543 0.00 0.00 P ATOM 29975 O1P C A1402 192.258 103.875 -9.329 0.00 0.00 O ATOM 29976 O2P C A1402 194.102 102.973 -10.800 0.00 0.00 O ATOM 29977 O5* C A1402 192.163 104.102 -11.833 0.00 0.00 O ATOM 29978 C5* C A1402 190.958 104.845 -11.855 0.00 0.00 C ATOM 29979 C4* C A1402 190.392 104.893 -13.277 0.00 0.00 C ATOM 29980 O4* C A1402 191.278 105.514 -14.199 0.00 0.00 O ATOM 29981 C3* C A1402 190.125 103.513 -13.854 0.00 0.00 C ATOM 29982 O3* C A1402 188.949 102.942 -13.308 0.00 0.00 O ATOM 29983 C2* C A1402 190.046 103.870 -15.342 0.00 0.00 C ATOM 29984 O2* C A1402 188.819 104.506 -15.669 0.00 0.00 O ATOM 29985 C1* C A1402 191.176 104.890 -15.471 0.00 0.00 C ATOM 29986 N1 C A1402 192.460 104.262 -15.929 0.00 0.00 N ATOM 29987 C2 C A1402 192.566 103.918 -17.282 0.00 0.00 C ATOM 29988 O2 C A1402 191.633 104.170 -18.032 0.00 0.00 O ATOM 29989 N3 C A1402 193.703 103.335 -17.768 0.00 0.00 N ATOM 29990 C4 C A1402 194.743 103.194 -16.957 0.00 0.00 C ATOM 29991 N4 C A1402 195.849 102.699 -17.477 0.00 0.00 N ATOM 29992 C5 C A1402 194.705 103.573 -15.579 0.00 0.00 C ATOM 29993 C6 C A1402 193.545 104.095 -15.102 0.00 0.00 C ATOM 29994 P C A1403 188.789 101.364 -13.189 0.00 0.00 P ATOM 29995 O1P C A1403 187.470 101.056 -12.602 0.00 0.00 O ATOM 29996 O2P C A1403 189.950 100.836 -12.434 0.00 0.00 O ATOM 29997 O5* C A1403 188.844 100.778 -14.670 0.00 0.00 O ATOM 29998 C5* C A1403 187.929 101.164 -15.679 0.00 0.00 C ATOM 29999 C4* C A1403 188.474 100.731 -17.046 0.00 0.00 C ATOM 30000 O4* C A1403 189.711 101.344 -17.370 0.00 0.00 O ATOM 30001 C3* C A1403 188.680 99.226 -17.125 0.00 0.00 C ATOM 30002 O3* C A1403 187.410 98.653 -17.393 0.00 0.00 O ATOM 30003 C2* C A1403 189.751 99.156 -18.218 0.00 0.00 C ATOM 30004 O2* C A1403 189.184 99.339 -19.508 0.00 0.00 O ATOM 30005 C1* C A1403 190.620 100.385 -17.887 0.00 0.00 C ATOM 30006 N1 C A1403 191.768 100.144 -16.939 0.00 0.00 N ATOM 30007 C2 C A1403 192.890 99.452 -17.417 0.00 0.00 C ATOM 30008 O2 C A1403 192.862 98.918 -18.523 0.00 0.00 O ATOM 30009 N3 C A1403 194.021 99.362 -16.658 0.00 0.00 N ATOM 30010 C4 C A1403 194.067 99.965 -15.483 0.00 0.00 C ATOM 30011 N4 C A1403 195.218 99.881 -14.851 0.00 0.00 N ATOM 30012 C5 C A1403 192.960 100.680 -14.938 0.00 0.00 C ATOM 30013 C6 C A1403 191.831 100.731 -15.692 0.00 0.00 C ATOM 30014 P C A1404 187.158 97.084 -17.393 0.00 0.00 P ATOM 30015 O1P C A1404 185.696 96.883 -17.392 0.00 0.00 O ATOM 30016 O2P C A1404 187.934 96.404 -16.343 0.00 0.00 O ATOM 30017 O5* C A1404 187.723 96.453 -18.745 0.00 0.00 O ATOM 30018 C5* C A1404 187.173 96.748 -20.014 0.00 0.00 C ATOM 30019 C4* C A1404 187.981 96.064 -21.126 0.00 0.00 C ATOM 30020 O4* C A1404 189.274 96.632 -21.300 0.00 0.00 O ATOM 30021 C3* C A1404 188.219 94.580 -20.873 0.00 0.00 C ATOM 30022 O3* C A1404 187.023 93.836 -21.052 0.00 0.00 O ATOM 30023 C2* C A1404 189.356 94.339 -21.872 0.00 0.00 C ATOM 30024 O2* C A1404 188.880 94.322 -23.212 0.00 0.00 O ATOM 30025 C1* C A1404 190.203 95.608 -21.671 0.00 0.00 C ATOM 30026 N1 C A1404 191.269 95.470 -20.623 0.00 0.00 N ATOM 30027 C2 C A1404 192.571 95.068 -20.984 0.00 0.00 C ATOM 30028 O2 C A1404 192.855 94.778 -22.155 0.00 0.00 O ATOM 30029 N3 C A1404 193.548 94.990 -20.028 0.00 0.00 N ATOM 30030 C4 C A1404 193.261 95.346 -18.774 0.00 0.00 C ATOM 30031 N4 C A1404 194.209 95.288 -17.864 0.00 0.00 N ATOM 30032 C5 C A1404 191.962 95.759 -18.367 0.00 0.00 C ATOM 30033 C6 C A1404 191.002 95.813 -19.318 0.00 0.00 C ATOM 30034 P G A1405 186.802 92.434 -20.315 0.00 0.00 P ATOM 30035 O1P G A1405 185.427 91.972 -20.597 0.00 0.00 O ATOM 30036 O2P G A1405 187.237 92.627 -18.905 0.00 0.00 O ATOM 30037 O5* G A1405 187.850 91.486 -21.087 0.00 0.00 O ATOM 30038 C5* G A1405 187.608 91.126 -22.439 0.00 0.00 C ATOM 30039 C4* G A1405 188.814 90.472 -23.109 0.00 0.00 C ATOM 30040 O4* G A1405 189.906 91.386 -23.190 0.00 0.00 O ATOM 30041 C3* G A1405 189.347 89.198 -22.438 0.00 0.00 C ATOM 30042 O3* G A1405 188.553 88.018 -22.637 0.00 0.00 O ATOM 30043 C2* G A1405 190.706 89.176 -23.149 0.00 0.00 C ATOM 30044 O2* G A1405 190.525 88.766 -24.499 0.00 0.00 O ATOM 30045 C1* G A1405 191.119 90.655 -23.125 0.00 0.00 C ATOM 30046 N9 G A1405 191.854 91.021 -21.887 0.00 0.00 N ATOM 30047 C8 G A1405 191.350 91.390 -20.662 0.00 0.00 C ATOM 30048 N7 G A1405 192.251 91.582 -19.732 0.00 0.00 N ATOM 30049 C5 G A1405 193.452 91.344 -20.407 0.00 0.00 C ATOM 30050 C6 G A1405 194.801 91.350 -19.917 0.00 0.00 C ATOM 30051 O6 G A1405 195.196 91.590 -18.774 0.00 0.00 O ATOM 30052 N1 G A1405 195.727 90.981 -20.872 0.00 0.00 N ATOM 30053 C2 G A1405 195.404 90.704 -22.173 0.00 0.00 C ATOM 30054 N2 G A1405 196.405 90.395 -22.965 0.00 0.00 N ATOM 30055 N3 G A1405 194.160 90.689 -22.670 0.00 0.00 N ATOM 30056 C4 G A1405 193.221 91.010 -21.726 0.00 0.00 C ATOM 30057 P U A1406 188.835 86.654 -21.798 0.00 0.00 P ATOM 30058 O1P U A1406 187.815 85.611 -22.077 0.00 0.00 O ATOM 30059 O2P U A1406 189.101 87.008 -20.388 0.00 0.00 O ATOM 30060 O5* U A1406 190.213 86.096 -22.402 0.00 0.00 O ATOM 30061 C5* U A1406 190.316 85.611 -23.729 0.00 0.00 C ATOM 30062 C4* U A1406 191.759 85.200 -24.041 0.00 0.00 C ATOM 30063 O4* U A1406 192.632 86.297 -23.829 0.00 0.00 O ATOM 30064 C3* U A1406 192.256 84.044 -23.179 0.00 0.00 C ATOM 30065 O3* U A1406 191.869 82.789 -23.725 0.00 0.00 O ATOM 30066 C2* U A1406 193.770 84.302 -23.213 0.00 0.00 C ATOM 30067 O2* U A1406 194.420 83.771 -24.363 0.00 0.00 O ATOM 30068 C1* U A1406 193.864 85.831 -23.299 0.00 0.00 C ATOM 30069 N1 U A1406 194.174 86.459 -21.982 0.00 0.00 N ATOM 30070 C2 U A1406 195.517 86.509 -21.586 0.00 0.00 C ATOM 30071 O2 U A1406 196.432 86.038 -22.259 0.00 0.00 O ATOM 30072 N3 U A1406 195.802 87.138 -20.386 0.00 0.00 N ATOM 30073 C4 U A1406 194.876 87.770 -19.584 0.00 0.00 C ATOM 30074 O4 U A1406 195.245 88.337 -18.566 0.00 0.00 O ATOM 30075 C5 U A1406 193.509 87.686 -20.052 0.00 0.00 C ATOM 30076 C6 U A1406 193.195 87.030 -21.198 0.00 0.00 C ATOM 30077 P C A1407 191.347 81.582 -22.805 0.00 0.00 P ATOM 30078 O1P C A1407 191.143 80.406 -23.688 0.00 0.00 O ATOM 30079 O2P C A1407 190.234 82.088 -21.960 0.00 0.00 O ATOM 30080 O5* C A1407 192.619 81.234 -21.890 0.00 0.00 O ATOM 30081 C5* C A1407 193.769 80.583 -22.413 0.00 0.00 C ATOM 30082 C4* C A1407 194.984 80.709 -21.491 0.00 0.00 C ATOM 30083 O4* C A1407 195.380 82.064 -21.323 0.00 0.00 O ATOM 30084 C3* C A1407 194.742 80.128 -20.105 0.00 0.00 C ATOM 30085 O3* C A1407 194.920 78.724 -20.095 0.00 0.00 O ATOM 30086 C2* C A1407 195.798 80.893 -19.304 0.00 0.00 C ATOM 30087 O2* C A1407 197.112 80.380 -19.468 0.00 0.00 O ATOM 30088 C1* C A1407 195.775 82.269 -19.971 0.00 0.00 C ATOM 30089 N1 C A1407 194.866 83.218 -19.262 0.00 0.00 N ATOM 30090 C2 C A1407 195.350 83.889 -18.127 0.00 0.00 C ATOM 30091 O2 C A1407 196.461 83.641 -17.649 0.00 0.00 O ATOM 30092 N3 C A1407 194.582 84.837 -17.526 0.00 0.00 N ATOM 30093 C4 C A1407 193.366 85.078 -17.998 0.00 0.00 C ATOM 30094 N4 C A1407 192.666 86.002 -17.385 0.00 0.00 N ATOM 30095 C5 C A1407 192.809 84.394 -19.114 0.00 0.00 C ATOM 30096 C6 C A1407 193.591 83.469 -19.716 0.00 0.00 C ATOM 30097 P A A1408 194.295 77.821 -18.935 0.00 0.00 P ATOM 30098 O1P A A1408 194.700 76.422 -19.210 0.00 0.00 O ATOM 30099 O2P A A1408 192.855 78.128 -18.830 0.00 0.00 O ATOM 30100 O5* A A1408 195.015 78.277 -17.571 0.00 0.00 O ATOM 30101 C5* A A1408 196.301 77.797 -17.217 0.00 0.00 C ATOM 30102 C4* A A1408 196.748 78.327 -15.851 0.00 0.00 C ATOM 30103 O4* A A1408 196.925 79.737 -15.892 0.00 0.00 O ATOM 30104 C3* A A1408 195.770 78.020 -14.713 0.00 0.00 C ATOM 30105 O3* A A1408 195.900 76.696 -14.207 0.00 0.00 O ATOM 30106 C2* A A1408 196.191 79.103 -13.716 0.00 0.00 C ATOM 30107 O2* A A1408 197.383 78.779 -13.013 0.00 0.00 O ATOM 30108 C1* A A1408 196.514 80.276 -14.644 0.00 0.00 C ATOM 30109 N9 A A1408 195.345 81.161 -14.837 0.00 0.00 N ATOM 30110 C8 A A1408 194.406 81.168 -15.840 0.00 0.00 C ATOM 30111 N7 A A1408 193.554 82.157 -15.775 0.00 0.00 N ATOM 30112 C5 A A1408 193.944 82.831 -14.614 0.00 0.00 C ATOM 30113 C6 A A1408 193.477 83.972 -13.925 0.00 0.00 C ATOM 30114 N6 A A1408 192.511 84.765 -14.358 0.00 0.00 N ATOM 30115 N1 A A1408 194.039 84.347 -12.771 0.00 0.00 N ATOM 30116 C2 A A1408 195.072 83.645 -12.321 0.00 0.00 C ATOM 30117 N3 A A1408 195.637 82.574 -12.869 0.00 0.00 N ATOM 30118 C4 A A1408 195.013 82.212 -14.022 0.00 0.00 C ATOM 30119 P C A1409 194.719 76.002 -13.370 0.00 0.00 P ATOM 30120 O1P C A1409 195.206 74.659 -12.956 0.00 0.00 O ATOM 30121 O2P C A1409 193.485 76.090 -14.174 0.00 0.00 O ATOM 30122 O5* C A1409 194.536 76.905 -12.043 0.00 0.00 O ATOM 30123 C5* C A1409 195.442 76.844 -10.948 0.00 0.00 C ATOM 30124 C4* C A1409 194.992 77.727 -9.768 0.00 0.00 C ATOM 30125 O4* C A1409 194.988 79.119 -10.077 0.00 0.00 O ATOM 30126 C3* C A1409 193.581 77.409 -9.287 0.00 0.00 C ATOM 30127 O3* C A1409 193.508 76.211 -8.527 0.00 0.00 O ATOM 30128 C2* C A1409 193.258 78.689 -8.500 0.00 0.00 C ATOM 30129 O2* C A1409 193.868 78.747 -7.216 0.00 0.00 O ATOM 30130 C1* C A1409 193.918 79.762 -9.373 0.00 0.00 C ATOM 30131 N1 C A1409 192.944 80.406 -10.315 0.00 0.00 N ATOM 30132 C2 C A1409 192.087 81.423 -9.852 0.00 0.00 C ATOM 30133 O2 C A1409 191.999 81.695 -8.651 0.00 0.00 O ATOM 30134 N3 C A1409 191.333 82.143 -10.732 0.00 0.00 N ATOM 30135 C4 C A1409 191.388 81.830 -12.023 0.00 0.00 C ATOM 30136 N4 C A1409 190.652 82.534 -12.855 0.00 0.00 N ATOM 30137 C5 C A1409 192.181 80.759 -12.532 0.00 0.00 C ATOM 30138 C6 C A1409 192.931 80.064 -11.645 0.00 0.00 C ATOM 30139 P A A1410 192.121 75.449 -8.347 0.00 0.00 P ATOM 30140 O1P A A1410 192.348 74.261 -7.491 0.00 0.00 O ATOM 30141 O2P A A1410 191.588 75.139 -9.689 0.00 0.00 O ATOM 30142 O5* A A1410 191.143 76.452 -7.589 0.00 0.00 O ATOM 30143 C5* A A1410 191.304 76.678 -6.205 0.00 0.00 C ATOM 30144 C4* A A1410 190.219 77.606 -5.661 0.00 0.00 C ATOM 30145 O4* A A1410 190.353 78.934 -6.163 0.00 0.00 O ATOM 30146 C3* A A1410 188.798 77.125 -5.974 0.00 0.00 C ATOM 30147 O3* A A1410 188.390 76.036 -5.137 0.00 0.00 O ATOM 30148 C2* A A1410 188.069 78.456 -5.746 0.00 0.00 C ATOM 30149 O2* A A1410 187.946 78.787 -4.368 0.00 0.00 O ATOM 30150 C1* A A1410 189.046 79.463 -6.363 0.00 0.00 C ATOM 30151 N9 A A1410 188.801 79.691 -7.807 0.00 0.00 N ATOM 30152 C8 A A1410 189.472 79.182 -8.893 0.00 0.00 C ATOM 30153 N7 A A1410 189.115 79.697 -10.038 0.00 0.00 N ATOM 30154 C5 A A1410 188.106 80.597 -9.679 0.00 0.00 C ATOM 30155 C6 A A1410 187.280 81.492 -10.396 0.00 0.00 C ATOM 30156 N6 A A1410 187.406 81.729 -11.691 0.00 0.00 N ATOM 30157 N1 A A1410 186.322 82.191 -9.770 0.00 0.00 N ATOM 30158 C2 A A1410 186.212 82.046 -8.453 0.00 0.00 C ATOM 30159 N3 A A1410 186.943 81.282 -7.643 0.00 0.00 N ATOM 30160 C4 A A1410 187.880 80.569 -8.328 0.00 0.00 C ATOM 30161 P C A1411 187.227 75.002 -5.569 0.00 0.00 P ATOM 30162 O1P C A1411 187.110 73.935 -4.527 0.00 0.00 O ATOM 30163 O2P C A1411 187.512 74.558 -6.953 0.00 0.00 O ATOM 30164 O5* C A1411 185.869 75.865 -5.624 0.00 0.00 O ATOM 30165 C5* C A1411 185.310 76.464 -4.465 0.00 0.00 C ATOM 30166 C4* C A1411 184.158 77.426 -4.806 0.00 0.00 C ATOM 30167 O4* C A1411 184.625 78.566 -5.518 0.00 0.00 O ATOM 30168 C3* C A1411 183.026 76.804 -5.631 0.00 0.00 C ATOM 30169 O3* C A1411 182.159 76.020 -4.808 0.00 0.00 O ATOM 30170 C2* C A1411 182.407 78.086 -6.203 0.00 0.00 C ATOM 30171 O2* C A1411 181.584 78.745 -5.256 0.00 0.00 O ATOM 30172 C1* C A1411 183.624 78.982 -6.443 0.00 0.00 C ATOM 30173 N1 C A1411 184.120 78.889 -7.847 0.00 0.00 N ATOM 30174 C2 C A1411 183.483 79.637 -8.851 0.00 0.00 C ATOM 30175 O2 C A1411 182.447 80.275 -8.643 0.00 0.00 O ATOM 30176 N3 C A1411 183.991 79.627 -10.108 0.00 0.00 N ATOM 30177 C4 C A1411 185.088 78.933 -10.370 0.00 0.00 C ATOM 30178 N4 C A1411 185.527 78.952 -11.603 0.00 0.00 N ATOM 30179 C5 C A1411 185.733 78.109 -9.409 0.00 0.00 C ATOM 30180 C6 C A1411 185.209 78.107 -8.162 0.00 0.00 C ATOM 30181 P C A1412 181.087 74.973 -5.385 0.00 0.00 P ATOM 30182 O1P C A1412 180.470 74.282 -4.243 0.00 0.00 O ATOM 30183 O2P C A1412 181.762 74.139 -6.407 0.00 0.00 O ATOM 30184 O5* C A1412 179.887 75.739 -6.106 0.00 0.00 O ATOM 30185 C5* C A1412 179.018 76.604 -5.393 0.00 0.00 C ATOM 30186 C4* C A1412 178.237 77.534 -6.335 0.00 0.00 C ATOM 30187 O4* C A1412 179.070 78.490 -6.994 0.00 0.00 O ATOM 30188 C3* C A1412 177.474 76.804 -7.440 0.00 0.00 C ATOM 30189 O3* C A1412 176.350 76.107 -6.917 0.00 0.00 O ATOM 30190 C2* C A1412 177.202 78.000 -8.365 0.00 0.00 C ATOM 30191 O2* C A1412 176.236 78.895 -7.833 0.00 0.00 O ATOM 30192 C1* C A1412 178.573 78.690 -8.326 0.00 0.00 C ATOM 30193 N1 C A1412 179.545 78.138 -9.333 0.00 0.00 N ATOM 30194 C2 C A1412 179.601 78.667 -10.636 0.00 0.00 C ATOM 30195 O2 C A1412 178.735 79.432 -11.063 0.00 0.00 O ATOM 30196 N3 C A1412 180.633 78.328 -11.464 0.00 0.00 N ATOM 30197 C4 C A1412 181.589 77.525 -11.012 0.00 0.00 C ATOM 30198 N4 C A1412 182.595 77.254 -11.812 0.00 0.00 N ATOM 30199 C5 C A1412 181.538 76.894 -9.738 0.00 0.00 C ATOM 30200 C6 C A1412 180.477 77.201 -8.956 0.00 0.00 C ATOM 30201 P A A1413 175.768 74.776 -7.603 0.00 0.00 P ATOM 30202 O1P A A1413 174.819 74.155 -6.664 0.00 0.00 O ATOM 30203 O2P A A1413 176.950 73.996 -8.052 0.00 0.00 O ATOM 30204 O5* A A1413 174.962 75.325 -8.875 0.00 0.00 O ATOM 30205 C5* A A1413 173.791 76.108 -8.716 0.00 0.00 C ATOM 30206 C4* A A1413 173.468 76.881 -9.996 0.00 0.00 C ATOM 30207 O4* A A1413 174.526 77.784 -10.314 0.00 0.00 O ATOM 30208 C3* A A1413 173.232 76.004 -11.229 0.00 0.00 C ATOM 30209 O3* A A1413 171.918 75.471 -11.313 0.00 0.00 O ATOM 30210 C2* A A1413 173.519 77.044 -12.310 0.00 0.00 C ATOM 30211 O2* A A1413 172.446 77.982 -12.434 0.00 0.00 O ATOM 30212 C1* A A1413 174.736 77.754 -11.717 0.00 0.00 C ATOM 30213 N9 A A1413 176.016 77.070 -12.052 0.00 0.00 N ATOM 30214 C8 A A1413 176.832 76.258 -11.292 0.00 0.00 C ATOM 30215 N7 A A1413 177.999 76.000 -11.822 0.00 0.00 N ATOM 30216 C5 A A1413 177.914 76.629 -13.066 0.00 0.00 C ATOM 30217 C6 A A1413 178.781 76.739 -14.174 0.00 0.00 C ATOM 30218 N6 A A1413 180.028 76.295 -14.184 0.00 0.00 N ATOM 30219 N1 A A1413 178.363 77.320 -15.305 0.00 0.00 N ATOM 30220 C2 A A1413 177.136 77.833 -15.318 0.00 0.00 C ATOM 30221 N3 A A1413 176.241 77.867 -14.342 0.00 0.00 N ATOM 30222 C4 A A1413 176.695 77.229 -13.231 0.00 0.00 C ATOM 30223 P U A1414 171.579 74.243 -12.280 0.00 0.00 P ATOM 30224 O1P U A1414 170.131 73.970 -12.160 0.00 0.00 O ATOM 30225 O2P U A1414 172.445 73.112 -11.881 0.00 0.00 O ATOM 30226 O5* U A1414 171.943 74.694 -13.775 0.00 0.00 O ATOM 30227 C5* U A1414 171.185 75.684 -14.450 0.00 0.00 C ATOM 30228 C4* U A1414 171.877 76.118 -15.752 0.00 0.00 C ATOM 30229 O4* U A1414 173.212 76.579 -15.566 0.00 0.00 O ATOM 30230 C3* U A1414 171.962 74.989 -16.765 0.00 0.00 C ATOM 30231 O3* U A1414 170.691 74.779 -17.358 0.00 0.00 O ATOM 30232 C2* U A1414 173.056 75.548 -17.683 0.00 0.00 C ATOM 30233 O2* U A1414 172.603 76.580 -18.545 0.00 0.00 O ATOM 30234 C1* U A1414 174.006 76.234 -16.704 0.00 0.00 C ATOM 30235 N1 U A1414 175.172 75.363 -16.359 0.00 0.00 N ATOM 30236 C2 U A1414 176.275 75.303 -17.234 0.00 0.00 C ATOM 30237 O2 U A1414 176.340 75.910 -18.305 0.00 0.00 O ATOM 30238 N3 U A1414 177.339 74.503 -16.841 0.00 0.00 N ATOM 30239 C4 U A1414 177.418 73.794 -15.659 0.00 0.00 C ATOM 30240 O4 U A1414 178.411 73.128 -15.372 0.00 0.00 O ATOM 30241 C5 U A1414 176.250 73.899 -14.816 0.00 0.00 C ATOM 30242 C6 U A1414 175.182 74.651 -15.179 0.00 0.00 C ATOM 30243 P G A1415 170.382 73.519 -18.290 0.00 0.00 P ATOM 30244 O1P G A1415 168.924 73.535 -18.554 0.00 0.00 O ATOM 30245 O2P G A1415 170.970 72.310 -17.661 0.00 0.00 O ATOM 30246 O5* G A1415 171.194 73.815 -19.649 0.00 0.00 O ATOM 30247 C5* G A1415 170.774 74.820 -20.561 0.00 0.00 C ATOM 30248 C4* G A1415 171.698 74.913 -21.786 0.00 0.00 C ATOM 30249 O4* G A1415 173.034 75.266 -21.436 0.00 0.00 O ATOM 30250 C3* G A1415 171.774 73.603 -22.566 0.00 0.00 C ATOM 30251 O3* G A1415 170.596 73.348 -23.338 0.00 0.00 O ATOM 30252 C2* G A1415 173.068 73.849 -23.361 0.00 0.00 C ATOM 30253 O2* G A1415 172.933 74.741 -24.453 0.00 0.00 O ATOM 30254 C1* G A1415 173.922 74.621 -22.354 0.00 0.00 C ATOM 30255 N9 G A1415 174.850 73.741 -21.610 0.00 0.00 N ATOM 30256 C8 G A1415 174.760 73.351 -20.301 0.00 0.00 C ATOM 30257 N7 G A1415 175.774 72.654 -19.868 0.00 0.00 N ATOM 30258 C5 G A1415 176.569 72.509 -21.008 0.00 0.00 C ATOM 30259 C6 G A1415 177.779 71.767 -21.214 0.00 0.00 C ATOM 30260 O6 G A1415 178.445 71.107 -20.412 0.00 0.00 O ATOM 30261 N1 G A1415 178.215 71.801 -22.523 0.00 0.00 N ATOM 30262 C2 G A1415 177.583 72.457 -23.537 0.00 0.00 C ATOM 30263 N2 G A1415 178.112 72.343 -24.741 0.00 0.00 N ATOM 30264 N3 G A1415 176.475 73.184 -23.375 0.00 0.00 N ATOM 30265 C4 G A1415 176.004 73.160 -22.087 0.00 0.00 C ATOM 30266 P G A1416 170.134 71.847 -23.672 0.00 0.00 P ATOM 30267 O1P G A1416 168.954 71.852 -24.580 0.00 0.00 O ATOM 30268 O2P G A1416 170.046 71.086 -22.402 0.00 0.00 O ATOM 30269 O5* G A1416 171.364 71.292 -24.515 0.00 0.00 O ATOM 30270 C5* G A1416 171.583 71.750 -25.838 0.00 0.00 C ATOM 30271 C4* G A1416 172.831 71.119 -26.438 0.00 0.00 C ATOM 30272 O4* G A1416 173.978 71.494 -25.688 0.00 0.00 O ATOM 30273 C3* G A1416 172.740 69.596 -26.437 0.00 0.00 C ATOM 30274 O3* G A1416 171.954 69.080 -27.522 0.00 0.00 O ATOM 30275 C2* G A1416 174.237 69.257 -26.460 0.00 0.00 C ATOM 30276 O2* G A1416 174.814 69.271 -27.763 0.00 0.00 O ATOM 30277 C1* G A1416 174.875 70.398 -25.656 0.00 0.00 C ATOM 30278 N9 G A1416 175.193 69.986 -24.266 0.00 0.00 N ATOM 30279 C8 G A1416 174.562 70.278 -23.083 0.00 0.00 C ATOM 30280 N7 G A1416 175.170 69.811 -22.022 0.00 0.00 N ATOM 30281 C5 G A1416 176.252 69.096 -22.538 0.00 0.00 C ATOM 30282 C6 G A1416 177.272 68.305 -21.895 0.00 0.00 C ATOM 30283 O6 G A1416 177.486 68.127 -20.689 0.00 0.00 O ATOM 30284 N1 G A1416 178.109 67.673 -22.804 0.00 0.00 N ATOM 30285 C2 G A1416 178.057 67.890 -24.157 0.00 0.00 C ATOM 30286 N2 G A1416 178.899 67.249 -24.932 0.00 0.00 N ATOM 30287 N3 G A1416 177.173 68.666 -24.775 0.00 0.00 N ATOM 30288 C4 G A1416 176.272 69.214 -23.912 0.00 0.00 C ATOM 30289 P G A1417 171.057 67.741 -27.359 0.00 0.00 P ATOM 30290 O1P G A1417 170.542 67.292 -28.678 0.00 0.00 O ATOM 30291 O2P G A1417 170.073 67.951 -26.277 0.00 0.00 O ATOM 30292 O5* G A1417 172.165 66.687 -26.853 0.00 0.00 O ATOM 30293 C5* G A1417 173.201 66.240 -27.713 0.00 0.00 C ATOM 30294 C4* G A1417 174.258 65.415 -26.961 0.00 0.00 C ATOM 30295 O4* G A1417 175.009 66.147 -26.000 0.00 0.00 O ATOM 30296 C3* G A1417 173.645 64.231 -26.239 0.00 0.00 C ATOM 30297 O3* G A1417 173.378 63.213 -27.192 0.00 0.00 O ATOM 30298 C2* G A1417 174.738 63.954 -25.199 0.00 0.00 C ATOM 30299 O2* G A1417 175.874 63.308 -25.760 0.00 0.00 O ATOM 30300 C1* G A1417 175.192 65.368 -24.822 0.00 0.00 C ATOM 30301 N9 G A1417 174.457 65.971 -23.672 0.00 0.00 N ATOM 30302 C8 G A1417 173.384 66.829 -23.702 0.00 0.00 C ATOM 30303 N7 G A1417 173.038 67.306 -22.539 0.00 0.00 N ATOM 30304 C5 G A1417 173.949 66.727 -21.650 0.00 0.00 C ATOM 30305 C6 G A1417 174.119 66.884 -20.225 0.00 0.00 C ATOM 30306 O6 G A1417 173.538 67.631 -19.439 0.00 0.00 O ATOM 30307 N1 G A1417 175.082 66.044 -19.687 0.00 0.00 N ATOM 30308 C2 G A1417 175.842 65.194 -20.444 0.00 0.00 C ATOM 30309 N2 G A1417 176.632 64.374 -19.784 0.00 0.00 N ATOM 30310 N3 G A1417 175.776 65.090 -21.780 0.00 0.00 N ATOM 30311 C4 G A1417 174.796 65.874 -22.332 0.00 0.00 C ATOM 30312 P A A1418 172.505 61.923 -26.829 0.00 0.00 P ATOM 30313 O1P A A1418 171.546 61.692 -27.928 0.00 0.00 O ATOM 30314 O2P A A1418 171.978 62.100 -25.454 0.00 0.00 O ATOM 30315 O5* A A1418 173.611 60.763 -26.837 0.00 0.00 O ATOM 30316 C5* A A1418 174.276 60.397 -28.036 0.00 0.00 C ATOM 30317 C4* A A1418 175.293 59.274 -27.811 0.00 0.00 C ATOM 30318 O4* A A1418 176.317 59.699 -26.924 0.00 0.00 O ATOM 30319 C3* A A1418 174.668 58.000 -27.253 0.00 0.00 C ATOM 30320 O3* A A1418 174.170 57.184 -28.300 0.00 0.00 O ATOM 30321 C2* A A1418 175.866 57.388 -26.520 0.00 0.00 C ATOM 30322 O2* A A1418 176.730 56.646 -27.375 0.00 0.00 O ATOM 30323 C1* A A1418 176.631 58.627 -26.048 0.00 0.00 C ATOM 30324 N9 A A1418 176.284 58.997 -24.658 0.00 0.00 N ATOM 30325 C8 A A1418 175.382 59.925 -24.189 0.00 0.00 C ATOM 30326 N7 A A1418 175.379 60.072 -22.888 0.00 0.00 N ATOM 30327 C5 A A1418 176.329 59.131 -22.470 0.00 0.00 C ATOM 30328 C6 A A1418 176.811 58.689 -21.217 0.00 0.00 C ATOM 30329 N6 A A1418 176.388 59.124 -20.047 0.00 0.00 N ATOM 30330 N1 A A1418 177.749 57.746 -21.128 0.00 0.00 N ATOM 30331 C2 A A1418 178.202 57.219 -22.257 0.00 0.00 C ATOM 30332 N3 A A1418 177.832 57.502 -23.503 0.00 0.00 N ATOM 30333 C4 A A1418 176.881 58.477 -23.539 0.00 0.00 C ATOM 30334 P G A1419 172.796 56.384 -28.160 0.00 0.00 P ATOM 30335 O1P G A1419 172.684 55.467 -29.309 0.00 0.00 O ATOM 30336 O2P G A1419 171.728 57.395 -27.979 0.00 0.00 O ATOM 30337 O5* G A1419 172.973 55.540 -26.800 0.00 0.00 O ATOM 30338 C5* G A1419 173.801 54.387 -26.755 0.00 0.00 C ATOM 30339 C4* G A1419 174.124 53.935 -25.320 0.00 0.00 C ATOM 30340 O4* G A1419 174.830 54.944 -24.606 0.00 0.00 O ATOM 30341 C3* G A1419 172.915 53.563 -24.467 0.00 0.00 C ATOM 30342 O3* G A1419 172.490 52.230 -24.690 0.00 0.00 O ATOM 30343 C2* G A1419 173.470 53.804 -23.055 0.00 0.00 C ATOM 30344 O2* G A1419 174.325 52.774 -22.577 0.00 0.00 O ATOM 30345 C1* G A1419 174.366 55.020 -23.264 0.00 0.00 C ATOM 30346 N9 G A1419 173.661 56.298 -22.987 0.00 0.00 N ATOM 30347 C8 G A1419 172.977 57.123 -23.845 0.00 0.00 C ATOM 30348 N7 G A1419 172.468 58.185 -23.278 0.00 0.00 N ATOM 30349 C5 G A1419 172.837 58.066 -21.934 0.00 0.00 C ATOM 30350 C6 G A1419 172.563 58.889 -20.776 0.00 0.00 C ATOM 30351 O6 G A1419 171.916 59.925 -20.658 0.00 0.00 O ATOM 30352 N1 G A1419 173.101 58.389 -19.603 0.00 0.00 N ATOM 30353 C2 G A1419 173.811 57.231 -19.538 0.00 0.00 C ATOM 30354 N2 G A1419 174.244 56.875 -18.350 0.00 0.00 N ATOM 30355 N3 G A1419 174.082 56.439 -20.575 0.00 0.00 N ATOM 30356 C4 G A1419 173.567 56.907 -21.753 0.00 0.00 C ATOM 30357 P U A1420 171.011 51.750 -24.287 0.00 0.00 P ATOM 30358 O1P U A1420 170.821 50.370 -24.776 0.00 0.00 O ATOM 30359 O2P U A1420 170.071 52.824 -24.674 0.00 0.00 O ATOM 30360 O5* U A1420 171.046 51.720 -22.684 0.00 0.00 O ATOM 30361 C5* U A1420 171.640 50.679 -21.936 0.00 0.00 C ATOM 30362 C4* U A1420 171.564 51.046 -20.445 0.00 0.00 C ATOM 30363 O4* U A1420 172.219 52.298 -20.212 0.00 0.00 O ATOM 30364 C3* U A1420 170.138 51.224 -19.922 0.00 0.00 C ATOM 30365 O3* U A1420 169.459 50.016 -19.623 0.00 0.00 O ATOM 30366 C2* U A1420 170.387 52.123 -18.701 0.00 0.00 C ATOM 30367 O2* U A1420 170.912 51.486 -17.545 0.00 0.00 O ATOM 30368 C1* U A1420 171.509 53.026 -19.207 0.00 0.00 C ATOM 30369 N1 U A1420 170.961 54.334 -19.682 0.00 0.00 N ATOM 30370 C2 U A1420 170.859 55.389 -18.761 0.00 0.00 C ATOM 30371 O2 U A1420 171.187 55.284 -17.574 0.00 0.00 O ATOM 30372 N3 U A1420 170.345 56.590 -19.231 0.00 0.00 N ATOM 30373 C4 U A1420 169.911 56.829 -20.519 0.00 0.00 C ATOM 30374 O4 U A1420 169.447 57.925 -20.810 0.00 0.00 O ATOM 30375 C5 U A1420 170.035 55.693 -21.407 0.00 0.00 C ATOM 30376 C6 U A1420 170.519 54.501 -20.976 0.00 0.00 C ATOM 30377 P G A1421 167.848 49.952 -19.665 0.00 0.00 P ATOM 30378 O1P G A1421 167.410 48.569 -19.389 0.00 0.00 O ATOM 30379 O2P G A1421 167.377 50.669 -20.869 0.00 0.00 O ATOM 30380 O5* G A1421 167.463 50.867 -18.407 0.00 0.00 O ATOM 30381 C5* G A1421 167.533 50.377 -17.084 0.00 0.00 C ATOM 30382 C4* G A1421 166.980 51.440 -16.135 0.00 0.00 C ATOM 30383 O4* G A1421 167.714 52.658 -16.259 0.00 0.00 O ATOM 30384 C3* G A1421 165.515 51.774 -16.423 0.00 0.00 C ATOM 30385 O3* G A1421 164.598 50.822 -15.908 0.00 0.00 O ATOM 30386 C2* G A1421 165.429 53.164 -15.788 0.00 0.00 C ATOM 30387 O2* G A1421 165.333 53.182 -14.367 0.00 0.00 O ATOM 30388 C1* G A1421 166.796 53.739 -16.173 0.00 0.00 C ATOM 30389 N9 G A1421 166.701 54.504 -17.440 0.00 0.00 N ATOM 30390 C8 G A1421 167.044 54.179 -18.730 0.00 0.00 C ATOM 30391 N7 G A1421 166.811 55.131 -19.600 0.00 0.00 N ATOM 30392 C5 G A1421 166.238 56.155 -18.831 0.00 0.00 C ATOM 30393 C6 G A1421 165.706 57.445 -19.188 0.00 0.00 C ATOM 30394 O6 G A1421 165.683 57.964 -20.305 0.00 0.00 O ATOM 30395 N1 G A1421 165.132 58.123 -18.111 0.00 0.00 N ATOM 30396 C2 G A1421 165.114 57.613 -16.836 0.00 0.00 C ATOM 30397 N2 G A1421 164.499 58.250 -15.872 0.00 0.00 N ATOM 30398 N3 G A1421 165.627 56.443 -16.475 0.00 0.00 N ATOM 30399 C4 G A1421 166.164 55.759 -17.518 0.00 0.00 C ATOM 30400 P G A1422 163.113 50.677 -16.507 0.00 0.00 P ATOM 30401 O1P G A1422 162.453 49.522 -15.847 0.00 0.00 O ATOM 30402 O2P G A1422 163.115 50.805 -17.983 0.00 0.00 O ATOM 30403 O5* G A1422 162.375 51.990 -16.005 0.00 0.00 O ATOM 30404 C5* G A1422 161.857 52.106 -14.701 0.00 0.00 C ATOM 30405 C4* G A1422 161.102 53.426 -14.605 0.00 0.00 C ATOM 30406 O4* G A1422 161.996 54.521 -14.791 0.00 0.00 O ATOM 30407 C3* G A1422 160.003 53.574 -15.658 0.00 0.00 C ATOM 30408 O3* G A1422 158.832 52.807 -15.416 0.00 0.00 O ATOM 30409 C2* G A1422 159.842 55.094 -15.586 0.00 0.00 C ATOM 30410 O2* G A1422 159.218 55.574 -14.404 0.00 0.00 O ATOM 30411 C1* G A1422 161.303 55.527 -15.521 0.00 0.00 C ATOM 30412 N9 G A1422 161.831 55.688 -16.894 0.00 0.00 N ATOM 30413 C8 G A1422 162.572 54.835 -17.669 0.00 0.00 C ATOM 30414 N7 G A1422 162.800 55.267 -18.882 0.00 0.00 N ATOM 30415 C5 G A1422 162.216 56.548 -18.887 0.00 0.00 C ATOM 30416 C6 G A1422 162.196 57.608 -19.864 0.00 0.00 C ATOM 30417 O6 G A1422 162.738 57.649 -20.962 0.00 0.00 O ATOM 30418 N1 G A1422 161.491 58.738 -19.457 0.00 0.00 N ATOM 30419 C2 G A1422 160.841 58.810 -18.244 0.00 0.00 C ATOM 30420 N2 G A1422 160.061 59.811 -17.905 0.00 0.00 N ATOM 30421 N3 G A1422 160.866 57.865 -17.317 0.00 0.00 N ATOM 30422 C4 G A1422 161.587 56.775 -17.686 0.00 0.00 C ATOM 30423 P G A1423 157.770 52.537 -16.601 0.00 0.00 P ATOM 30424 O1P G A1423 156.745 51.582 -16.122 0.00 0.00 O ATOM 30425 O2P G A1423 158.525 52.261 -17.847 0.00 0.00 O ATOM 30426 O5* G A1423 157.078 53.972 -16.757 0.00 0.00 O ATOM 30427 C5* G A1423 156.322 54.541 -15.706 0.00 0.00 C ATOM 30428 C4* G A1423 155.985 55.989 -16.053 0.00 0.00 C ATOM 30429 O4* G A1423 157.154 56.751 -16.352 0.00 0.00 O ATOM 30430 C3* G A1423 155.059 56.083 -17.259 0.00 0.00 C ATOM 30431 O3* G A1423 153.725 55.749 -16.898 0.00 0.00 O ATOM 30432 C2* G A1423 155.336 57.540 -17.651 0.00 0.00 C ATOM 30433 O2* G A1423 154.772 58.511 -16.779 0.00 0.00 O ATOM 30434 C1* G A1423 156.851 57.611 -17.448 0.00 0.00 C ATOM 30435 N9 G A1423 157.572 57.244 -18.695 0.00 0.00 N ATOM 30436 C8 G A1423 158.226 56.090 -19.053 0.00 0.00 C ATOM 30437 N7 G A1423 158.729 56.111 -20.261 0.00 0.00 N ATOM 30438 C5 G A1423 158.372 57.372 -20.758 0.00 0.00 C ATOM 30439 C6 G A1423 158.567 58.010 -22.041 0.00 0.00 C ATOM 30440 O6 G A1423 159.112 57.593 -23.057 0.00 0.00 O ATOM 30441 N1 G A1423 157.997 59.274 -22.117 0.00 0.00 N ATOM 30442 C2 G A1423 157.290 59.842 -21.100 0.00 0.00 C ATOM 30443 N2 G A1423 156.760 61.019 -21.320 0.00 0.00 N ATOM 30444 N3 G A1423 157.116 59.302 -19.901 0.00 0.00 N ATOM 30445 C4 G A1423 157.668 58.061 -19.794 0.00 0.00 C ATOM 30446 P U A1424 152.622 55.347 -17.982 0.00 0.00 P ATOM 30447 O1P U A1424 151.390 54.977 -17.250 0.00 0.00 O ATOM 30448 O2P U A1424 153.190 54.319 -18.889 0.00 0.00 O ATOM 30449 O5* U A1424 152.384 56.702 -18.791 0.00 0.00 O ATOM 30450 C5* U A1424 151.855 57.856 -18.157 0.00 0.00 C ATOM 30451 C4* U A1424 151.907 59.056 -19.108 0.00 0.00 C ATOM 30452 O4* U A1424 153.226 59.405 -19.522 0.00 0.00 O ATOM 30453 C3* U A1424 151.107 58.783 -20.371 0.00 0.00 C ATOM 30454 O3* U A1424 149.717 58.870 -20.104 0.00 0.00 O ATOM 30455 C2* U A1424 151.688 59.872 -21.274 0.00 0.00 C ATOM 30456 O2* U A1424 151.200 61.171 -20.961 0.00 0.00 O ATOM 30457 C1* U A1424 153.171 59.826 -20.890 0.00 0.00 C ATOM 30458 N1 U A1424 153.937 58.920 -21.796 0.00 0.00 N ATOM 30459 C2 U A1424 154.320 59.414 -23.050 0.00 0.00 C ATOM 30460 O2 U A1424 154.026 60.535 -23.454 0.00 0.00 O ATOM 30461 N3 U A1424 155.072 58.576 -23.850 0.00 0.00 N ATOM 30462 C4 U A1424 155.525 57.327 -23.498 0.00 0.00 C ATOM 30463 O4 U A1424 156.231 56.698 -24.282 0.00 0.00 O ATOM 30464 C5 U A1424 155.082 56.869 -22.196 0.00 0.00 C ATOM 30465 C6 U A1424 154.305 57.651 -21.404 0.00 0.00 C ATOM 30466 P U A1425 148.637 58.162 -21.035 0.00 0.00 P ATOM 30467 O1P U A1425 147.323 58.596 -20.511 0.00 0.00 O ATOM 30468 O2P U A1425 148.923 56.710 -21.026 0.00 0.00 O ATOM 30469 O5* U A1425 148.878 58.696 -22.521 0.00 0.00 O ATOM 30470 C5* U A1425 148.663 60.045 -22.903 0.00 0.00 C ATOM 30471 C4* U A1425 149.246 60.278 -24.306 0.00 0.00 C ATOM 30472 O4* U A1425 150.648 60.031 -24.390 0.00 0.00 O ATOM 30473 C3* U A1425 148.619 59.366 -25.347 0.00 0.00 C ATOM 30474 O3* U A1425 147.290 59.768 -25.638 0.00 0.00 O ATOM 30475 C2* U A1425 149.663 59.515 -26.463 0.00 0.00 C ATOM 30476 O2* U A1425 149.603 60.762 -27.133 0.00 0.00 O ATOM 30477 C1* U A1425 150.978 59.542 -25.690 0.00 0.00 C ATOM 30478 N1 U A1425 151.664 58.212 -25.659 0.00 0.00 N ATOM 30479 C2 U A1425 152.464 57.843 -26.751 0.00 0.00 C ATOM 30480 O2 U A1425 152.522 58.500 -27.793 0.00 0.00 O ATOM 30481 N3 U A1425 153.221 56.684 -26.616 0.00 0.00 N ATOM 30482 C4 U A1425 153.266 55.876 -25.499 0.00 0.00 C ATOM 30483 O4 U A1425 154.081 54.956 -25.416 0.00 0.00 O ATOM 30484 C5 U A1425 152.335 56.263 -24.458 0.00 0.00 C ATOM 30485 C6 U A1425 151.577 57.388 -24.559 0.00 0.00 C ATOM 30486 P G A1426 146.304 58.820 -26.463 0.00 0.00 P ATOM 30487 O1P G A1426 144.937 59.388 -26.510 0.00 0.00 O ATOM 30488 O2P G A1426 146.461 57.417 -26.034 0.00 0.00 O ATOM 30489 O5* G A1426 146.877 58.920 -27.942 0.00 0.00 O ATOM 30490 C5* G A1426 146.800 60.117 -28.687 0.00 0.00 C ATOM 30491 C4* G A1426 147.613 59.951 -29.969 0.00 0.00 C ATOM 30492 O4* G A1426 148.981 59.670 -29.695 0.00 0.00 O ATOM 30493 C3* G A1426 147.075 58.812 -30.825 0.00 0.00 C ATOM 30494 O3* G A1426 145.927 59.230 -31.540 0.00 0.00 O ATOM 30495 C2* G A1426 148.307 58.505 -31.671 0.00 0.00 C ATOM 30496 O2* G A1426 148.544 59.443 -32.712 0.00 0.00 O ATOM 30497 C1* G A1426 149.405 58.676 -30.622 0.00 0.00 C ATOM 30498 N9 G A1426 149.703 57.393 -29.944 0.00 0.00 N ATOM 30499 C8 G A1426 149.253 56.861 -28.760 0.00 0.00 C ATOM 30500 N7 G A1426 149.917 55.811 -28.362 0.00 0.00 N ATOM 30501 C5 G A1426 150.812 55.575 -29.406 0.00 0.00 C ATOM 30502 C6 G A1426 151.798 54.555 -29.605 0.00 0.00 C ATOM 30503 O6 G A1426 152.137 53.663 -28.839 0.00 0.00 O ATOM 30504 N1 G A1426 152.409 54.610 -30.849 0.00 0.00 N ATOM 30505 C2 G A1426 152.084 55.546 -31.811 0.00 0.00 C ATOM 30506 N2 G A1426 152.609 55.585 -33.019 0.00 0.00 N ATOM 30507 N3 G A1426 151.218 56.532 -31.626 0.00 0.00 N ATOM 30508 C4 G A1426 150.617 56.492 -30.409 0.00 0.00 C ATOM 30509 P C A1427 144.767 58.195 -31.911 0.00 0.00 P ATOM 30510 O1P C A1427 143.675 58.978 -32.539 0.00 0.00 O ATOM 30511 O2P C A1427 144.499 57.381 -30.700 0.00 0.00 O ATOM 30512 O5* C A1427 145.511 57.308 -33.038 0.00 0.00 O ATOM 30513 C5* C A1427 145.828 57.846 -34.315 0.00 0.00 C ATOM 30514 C4* C A1427 146.687 56.895 -35.166 0.00 0.00 C ATOM 30515 O4* C A1427 147.990 56.691 -34.621 0.00 0.00 O ATOM 30516 C3* C A1427 146.063 55.516 -35.337 0.00 0.00 C ATOM 30517 O3* C A1427 144.985 55.517 -36.267 0.00 0.00 O ATOM 30518 C2* C A1427 147.303 54.720 -35.763 0.00 0.00 C ATOM 30519 O2* C A1427 147.673 54.942 -37.116 0.00 0.00 O ATOM 30520 C1* C A1427 148.398 55.347 -34.892 0.00 0.00 C ATOM 30521 N1 C A1427 148.618 54.589 -33.622 0.00 0.00 N ATOM 30522 C2 C A1427 149.602 53.586 -33.573 0.00 0.00 C ATOM 30523 O2 C A1427 150.234 53.246 -34.575 0.00 0.00 O ATOM 30524 N3 C A1427 149.885 52.964 -32.395 0.00 0.00 N ATOM 30525 C4 C A1427 149.182 53.287 -31.314 0.00 0.00 C ATOM 30526 N4 C A1427 149.463 52.669 -30.193 0.00 0.00 N ATOM 30527 C5 C A1427 148.173 54.288 -31.312 0.00 0.00 C ATOM 30528 C6 C A1427 147.908 54.901 -32.488 0.00 0.00 C ATOM 30529 P A A1428 143.922 54.317 -36.268 0.00 0.00 P ATOM 30530 O1P A A1428 142.954 54.654 -37.340 0.00 0.00 O ATOM 30531 O2P A A1428 143.437 54.173 -34.888 0.00 0.00 O ATOM 30532 O5* A A1428 144.778 53.036 -36.689 0.00 0.00 O ATOM 30533 C5* A A1428 145.150 52.817 -38.037 0.00 0.00 C ATOM 30534 C4* A A1428 145.975 51.536 -38.164 0.00 0.00 C ATOM 30535 O4* A A1428 147.203 51.645 -37.451 0.00 0.00 O ATOM 30536 C3* A A1428 145.246 50.310 -37.617 0.00 0.00 C ATOM 30537 O3* A A1428 144.283 49.798 -38.524 0.00 0.00 O ATOM 30538 C2* A A1428 146.441 49.388 -37.370 0.00 0.00 C ATOM 30539 O2* A A1428 146.950 48.764 -38.536 0.00 0.00 O ATOM 30540 C1* A A1428 147.515 50.366 -36.913 0.00 0.00 C ATOM 30541 N9 A A1428 147.572 50.428 -35.440 0.00 0.00 N ATOM 30542 C8 A A1428 146.886 51.249 -34.579 0.00 0.00 C ATOM 30543 N7 A A1428 147.269 51.159 -33.336 0.00 0.00 N ATOM 30544 C5 A A1428 148.220 50.136 -33.376 0.00 0.00 C ATOM 30545 C6 A A1428 149.002 49.488 -32.402 0.00 0.00 C ATOM 30546 N6 A A1428 149.012 49.838 -31.130 0.00 0.00 N ATOM 30547 N1 A A1428 149.802 48.466 -32.735 0.00 0.00 N ATOM 30548 C2 A A1428 149.851 48.104 -34.013 0.00 0.00 C ATOM 30549 N3 A A1428 149.196 48.638 -35.041 0.00 0.00 N ATOM 30550 C4 A A1428 148.382 49.657 -34.646 0.00 0.00 C ATOM 30551 P A A1429 143.006 48.972 -37.999 0.00 0.00 P ATOM 30552 O1P A A1429 142.176 48.612 -39.169 0.00 0.00 O ATOM 30553 O2P A A1429 142.409 49.719 -36.873 0.00 0.00 O ATOM 30554 O5* A A1429 143.699 47.634 -37.424 0.00 0.00 O ATOM 30555 C5* A A1429 144.108 46.602 -38.303 0.00 0.00 C ATOM 30556 C4* A A1429 145.057 45.607 -37.625 0.00 0.00 C ATOM 30557 O4* A A1429 146.177 46.274 -37.048 0.00 0.00 O ATOM 30558 C3* A A1429 144.425 44.768 -36.519 0.00 0.00 C ATOM 30559 O3* A A1429 143.679 43.674 -37.021 0.00 0.00 O ATOM 30560 C2* A A1429 145.686 44.347 -35.756 0.00 0.00 C ATOM 30561 O2* A A1429 146.451 43.338 -36.403 0.00 0.00 O ATOM 30562 C1* A A1429 146.510 45.628 -35.823 0.00 0.00 C ATOM 30563 N9 A A1429 146.238 46.474 -34.637 0.00 0.00 N ATOM 30564 C8 A A1429 145.365 47.525 -34.469 0.00 0.00 C ATOM 30565 N7 A A1429 145.420 48.083 -33.291 0.00 0.00 N ATOM 30566 C5 A A1429 146.352 47.296 -32.609 0.00 0.00 C ATOM 30567 C6 A A1429 146.858 47.283 -31.291 0.00 0.00 C ATOM 30568 N6 A A1429 146.506 48.165 -30.373 0.00 0.00 N ATOM 30569 N1 A A1429 147.742 46.350 -30.903 0.00 0.00 N ATOM 30570 C2 A A1429 148.132 45.458 -31.810 0.00 0.00 C ATOM 30571 N3 A A1429 147.748 45.350 -33.078 0.00 0.00 N ATOM 30572 C4 A A1429 146.843 46.308 -33.416 0.00 0.00 C ATOM 30573 P A A1430 142.581 42.936 -36.112 0.00 0.00 P ATOM 30574 O1P A A1430 141.953 41.877 -36.929 0.00 0.00 O ATOM 30575 O2P A A1430 141.754 43.983 -35.479 0.00 0.00 O ATOM 30576 O5* A A1430 143.468 42.246 -34.957 0.00 0.00 O ATOM 30577 C5* A A1430 144.211 41.064 -35.197 0.00 0.00 C ATOM 30578 C4* A A1430 144.902 40.584 -33.915 0.00 0.00 C ATOM 30579 O4* A A1430 145.802 41.560 -33.393 0.00 0.00 O ATOM 30580 C3* A A1430 143.917 40.257 -32.797 0.00 0.00 C ATOM 30581 O3* A A1430 143.296 38.995 -32.966 0.00 0.00 O ATOM 30582 C2* A A1430 144.847 40.337 -31.584 0.00 0.00 C ATOM 30583 O2* A A1430 145.709 39.215 -31.436 0.00 0.00 O ATOM 30584 C1* A A1430 145.722 41.528 -31.971 0.00 0.00 C ATOM 30585 N9 A A1430 145.167 42.798 -31.453 0.00 0.00 N ATOM 30586 C8 A A1430 144.444 43.771 -32.102 0.00 0.00 C ATOM 30587 N7 A A1430 144.240 44.848 -31.391 0.00 0.00 N ATOM 30588 C5 A A1430 144.809 44.527 -30.156 0.00 0.00 C ATOM 30589 C6 A A1430 144.925 45.194 -28.916 0.00 0.00 C ATOM 30590 N6 A A1430 144.504 46.428 -28.699 0.00 0.00 N ATOM 30591 N1 A A1430 145.491 44.584 -27.864 0.00 0.00 N ATOM 30592 C2 A A1430 145.958 43.353 -28.040 0.00 0.00 C ATOM 30593 N3 A A1430 145.952 42.618 -29.146 0.00 0.00 N ATOM 30594 C4 A A1430 145.347 43.269 -30.177 0.00 0.00 C ATOM 30595 P A A1431 141.892 38.674 -32.261 0.00 0.00 P ATOM 30596 O1P A A1431 141.490 37.302 -32.635 0.00 0.00 O ATOM 30597 O2P A A1431 140.989 39.816 -32.506 0.00 0.00 O ATOM 30598 O5* A A1431 142.283 38.701 -30.704 0.00 0.00 O ATOM 30599 C5* A A1431 142.968 37.632 -30.085 0.00 0.00 C ATOM 30600 C4* A A1431 143.179 37.950 -28.600 0.00 0.00 C ATOM 30601 O4* A A1431 143.950 39.139 -28.412 0.00 0.00 O ATOM 30602 C3* A A1431 141.863 38.172 -27.865 0.00 0.00 C ATOM 30603 O3* A A1431 141.200 36.968 -27.522 0.00 0.00 O ATOM 30604 C2* A A1431 142.361 38.972 -26.660 0.00 0.00 C ATOM 30605 O2* A A1431 143.006 38.177 -25.669 0.00 0.00 O ATOM 30606 C1* A A1431 143.434 39.856 -27.290 0.00 0.00 C ATOM 30607 N9 A A1431 142.874 41.175 -27.690 0.00 0.00 N ATOM 30608 C8 A A1431 142.381 41.572 -28.909 0.00 0.00 C ATOM 30609 N7 A A1431 142.045 42.833 -28.969 0.00 0.00 N ATOM 30610 C5 A A1431 142.279 43.297 -27.675 0.00 0.00 C ATOM 30611 C6 A A1431 142.126 44.551 -27.031 0.00 0.00 C ATOM 30612 N6 A A1431 141.689 45.663 -27.610 0.00 0.00 N ATOM 30613 N1 A A1431 142.432 44.689 -25.743 0.00 0.00 N ATOM 30614 C2 A A1431 142.873 43.617 -25.088 0.00 0.00 C ATOM 30615 N3 A A1431 143.087 42.389 -25.563 0.00 0.00 N ATOM 30616 C4 A A1431 142.766 42.290 -26.883 0.00 0.00 C ATOM 30617 P G A1432 139.609 36.942 -27.303 0.00 0.00 P ATOM 30618 O1P G A1432 139.212 35.587 -26.868 0.00 0.00 O ATOM 30619 O2P G A1432 138.975 37.564 -28.481 0.00 0.00 O ATOM 30620 O5* G A1432 139.419 37.954 -26.074 0.00 0.00 O ATOM 30621 C5* G A1432 139.813 37.615 -24.763 0.00 0.00 C ATOM 30622 C4* G A1432 139.673 38.841 -23.853 0.00 0.00 C ATOM 30623 O4* G A1432 140.447 39.968 -24.270 0.00 0.00 O ATOM 30624 C3* G A1432 138.232 39.322 -23.755 0.00 0.00 C ATOM 30625 O3* G A1432 137.492 38.432 -22.935 0.00 0.00 O ATOM 30626 C2* G A1432 138.481 40.745 -23.237 0.00 0.00 C ATOM 30627 O2* G A1432 138.880 40.768 -21.872 0.00 0.00 O ATOM 30628 C1* G A1432 139.702 41.170 -24.068 0.00 0.00 C ATOM 30629 N9 G A1432 139.346 41.814 -25.369 0.00 0.00 N ATOM 30630 C8 G A1432 139.246 41.224 -26.607 0.00 0.00 C ATOM 30631 N7 G A1432 138.981 42.049 -27.579 0.00 0.00 N ATOM 30632 C5 G A1432 138.885 43.293 -26.958 0.00 0.00 C ATOM 30633 C6 G A1432 138.582 44.593 -27.500 0.00 0.00 C ATOM 30634 O6 G A1432 138.322 44.928 -28.653 0.00 0.00 O ATOM 30635 N1 G A1432 138.554 45.600 -26.554 0.00 0.00 N ATOM 30636 C2 G A1432 138.757 45.378 -25.222 0.00 0.00 C ATOM 30637 N2 G A1432 138.624 46.436 -24.447 0.00 0.00 N ATOM 30638 N3 G A1432 139.038 44.179 -24.676 0.00 0.00 N ATOM 30639 C4 G A1432 139.094 43.163 -25.598 0.00 0.00 C ATOM 30640 P A A1433 135.933 38.637 -22.616 0.00 0.00 P ATOM 30641 O1P A A1433 135.223 37.346 -22.739 0.00 0.00 O ATOM 30642 O2P A A1433 135.443 39.830 -23.337 0.00 0.00 O ATOM 30643 O5* A A1433 136.007 38.982 -21.058 0.00 0.00 O ATOM 30644 C5* A A1433 136.505 38.023 -20.146 0.00 0.00 C ATOM 30645 C4* A A1433 136.436 38.555 -18.720 0.00 0.00 C ATOM 30646 O4* A A1433 137.276 39.692 -18.551 0.00 0.00 O ATOM 30647 C3* A A1433 135.017 38.946 -18.317 0.00 0.00 C ATOM 30648 O3* A A1433 134.259 37.823 -17.876 0.00 0.00 O ATOM 30649 C2* A A1433 135.368 39.917 -17.193 0.00 0.00 C ATOM 30650 O2* A A1433 135.715 39.188 -16.021 0.00 0.00 O ATOM 30651 C1* A A1433 136.623 40.631 -17.714 0.00 0.00 C ATOM 30652 N9 A A1433 136.332 41.871 -18.484 0.00 0.00 N ATOM 30653 C8 A A1433 136.287 42.039 -19.850 0.00 0.00 C ATOM 30654 N7 A A1433 136.112 43.272 -20.238 0.00 0.00 N ATOM 30655 C5 A A1433 136.016 43.980 -19.038 0.00 0.00 C ATOM 30656 C6 A A1433 135.821 45.344 -18.712 0.00 0.00 C ATOM 30657 N6 A A1433 135.647 46.319 -19.591 0.00 0.00 N ATOM 30658 N1 A A1433 135.830 45.747 -17.440 0.00 0.00 N ATOM 30659 C2 A A1433 136.003 44.824 -16.501 0.00 0.00 C ATOM 30660 N3 A A1433 136.167 43.503 -16.642 0.00 0.00 N ATOM 30661 C4 A A1433 136.167 43.140 -17.962 0.00 0.00 C ATOM 30662 P A A1434 132.662 37.856 -17.818 0.00 0.00 P ATOM 30663 O1P A A1434 132.263 36.680 -17.009 0.00 0.00 O ATOM 30664 O2P A A1434 132.127 38.028 -19.187 0.00 0.00 O ATOM 30665 O5* A A1434 132.333 39.167 -16.972 0.00 0.00 O ATOM 30666 C5* A A1434 132.432 39.174 -15.561 0.00 0.00 C ATOM 30667 C4* A A1434 132.046 40.550 -15.038 0.00 0.00 C ATOM 30668 O4* A A1434 132.916 41.576 -15.491 0.00 0.00 O ATOM 30669 C3* A A1434 130.636 40.944 -15.473 0.00 0.00 C ATOM 30670 O3* A A1434 129.659 40.210 -14.742 0.00 0.00 O ATOM 30671 C2* A A1434 130.740 42.433 -15.127 0.00 0.00 C ATOM 30672 O2* A A1434 130.618 42.605 -13.710 0.00 0.00 O ATOM 30673 C1* A A1434 132.173 42.783 -15.579 0.00 0.00 C ATOM 30674 N9 A A1434 132.269 43.304 -16.972 0.00 0.00 N ATOM 30675 C8 A A1434 132.457 42.611 -18.146 0.00 0.00 C ATOM 30676 N7 A A1434 132.547 43.364 -19.211 0.00 0.00 N ATOM 30677 C5 A A1434 132.418 44.661 -18.710 0.00 0.00 C ATOM 30678 C6 A A1434 132.398 45.960 -19.284 0.00 0.00 C ATOM 30679 N6 A A1434 132.491 46.268 -20.571 0.00 0.00 N ATOM 30680 N1 A A1434 132.285 47.041 -18.509 0.00 0.00 N ATOM 30681 C2 A A1434 132.182 46.858 -17.199 0.00 0.00 C ATOM 30682 N3 A A1434 132.168 45.714 -16.515 0.00 0.00 N ATOM 30683 C4 A A1434 132.275 44.633 -17.344 0.00 0.00 C ATOM 30684 P G A1435 128.134 40.010 -15.240 0.00 0.00 P ATOM 30685 O1P G A1435 127.460 39.602 -13.987 0.00 0.00 O ATOM 30686 O2P G A1435 128.095 39.085 -16.399 0.00 0.00 O ATOM 30687 O5* G A1435 127.604 41.437 -15.732 0.00 0.00 O ATOM 30688 C5* G A1435 127.231 42.484 -14.854 0.00 0.00 C ATOM 30689 C4* G A1435 127.002 43.773 -15.660 0.00 0.00 C ATOM 30690 O4* G A1435 128.213 44.204 -16.268 0.00 0.00 O ATOM 30691 C3* G A1435 125.969 43.640 -16.778 0.00 0.00 C ATOM 30692 O3* G A1435 124.649 43.754 -16.255 0.00 0.00 O ATOM 30693 C2* G A1435 126.438 44.772 -17.706 0.00 0.00 C ATOM 30694 O2* G A1435 126.104 46.074 -17.248 0.00 0.00 O ATOM 30695 C1* G A1435 127.956 44.670 -17.579 0.00 0.00 C ATOM 30696 N9 G A1435 128.555 43.792 -18.617 0.00 0.00 N ATOM 30697 C8 G A1435 128.878 42.457 -18.592 0.00 0.00 C ATOM 30698 N7 G A1435 129.407 42.011 -19.703 0.00 0.00 N ATOM 30699 C5 G A1435 129.454 43.138 -20.537 0.00 0.00 C ATOM 30700 C6 G A1435 129.924 43.339 -21.891 0.00 0.00 C ATOM 30701 O6 G A1435 130.427 42.544 -22.690 0.00 0.00 O ATOM 30702 N1 G A1435 129.759 44.643 -22.334 0.00 0.00 N ATOM 30703 C2 G A1435 129.195 45.632 -21.582 0.00 0.00 C ATOM 30704 N2 G A1435 129.039 46.817 -22.118 0.00 0.00 N ATOM 30705 N3 G A1435 128.753 45.485 -20.339 0.00 0.00 N ATOM 30706 C4 G A1435 128.917 44.219 -19.868 0.00 0.00 C ATOM 30707 P U A1436 123.381 42.964 -16.874 0.00 0.00 P ATOM 30708 O1P U A1436 122.453 42.651 -15.757 0.00 0.00 O ATOM 30709 O2P U A1436 123.903 41.860 -17.718 0.00 0.00 O ATOM 30710 O5* U A1436 122.687 44.044 -17.866 0.00 0.00 O ATOM 30711 C5* U A1436 122.142 45.288 -17.436 0.00 0.00 C ATOM 30712 C4* U A1436 122.110 46.330 -18.578 0.00 0.00 C ATOM 30713 O4* U A1436 123.458 46.629 -18.973 0.00 0.00 O ATOM 30714 C3* U A1436 121.345 45.942 -19.860 0.00 0.00 C ATOM 30715 O3* U A1436 119.915 46.125 -19.858 0.00 0.00 O ATOM 30716 C2* U A1436 122.064 46.871 -20.859 0.00 0.00 C ATOM 30717 O2* U A1436 121.629 48.225 -20.781 0.00 0.00 O ATOM 30718 C1* U A1436 123.515 46.842 -20.380 0.00 0.00 C ATOM 30719 N1 U A1436 124.325 45.799 -21.080 0.00 0.00 N ATOM 30720 C2 U A1436 124.972 46.143 -22.276 0.00 0.00 C ATOM 30721 O2 U A1436 124.803 47.216 -22.848 0.00 0.00 O ATOM 30722 N3 U A1436 125.840 45.209 -22.819 0.00 0.00 N ATOM 30723 C4 U A1436 126.130 43.982 -22.261 0.00 0.00 C ATOM 30724 O4 U A1436 126.950 43.245 -22.787 0.00 0.00 O ATOM 30725 C5 U A1436 125.392 43.670 -21.062 0.00 0.00 C ATOM 30726 C6 U A1436 124.512 44.552 -20.528 0.00 0.00 C ATOM 30727 P A A1437 118.952 45.280 -20.864 0.00 0.00 P ATOM 30728 O1P A A1437 117.542 45.774 -20.891 0.00 0.00 O ATOM 30729 O2P A A1437 119.214 43.846 -20.640 0.00 0.00 O ATOM 30730 O5* A A1437 119.576 45.644 -22.287 0.00 0.00 O ATOM 30731 C5* A A1437 119.328 46.885 -22.921 0.00 0.00 C ATOM 30732 C4* A A1437 119.993 46.877 -24.298 0.00 0.00 C ATOM 30733 O4* A A1437 121.409 46.757 -24.196 0.00 0.00 O ATOM 30734 C3* A A1437 119.514 45.709 -25.160 0.00 0.00 C ATOM 30735 O3* A A1437 118.226 45.945 -25.714 0.00 0.00 O ATOM 30736 C2* A A1437 120.680 45.631 -26.153 0.00 0.00 C ATOM 30737 O2* A A1437 120.682 46.664 -27.127 0.00 0.00 O ATOM 30738 C1* A A1437 121.873 45.902 -25.233 0.00 0.00 C ATOM 30739 N9 A A1437 122.434 44.650 -24.669 0.00 0.00 N ATOM 30740 C8 A A1437 122.269 44.100 -23.418 0.00 0.00 C ATOM 30741 N7 A A1437 122.979 43.024 -23.207 0.00 0.00 N ATOM 30742 C5 A A1437 123.657 42.850 -24.413 0.00 0.00 C ATOM 30743 C6 A A1437 124.587 41.900 -24.879 0.00 0.00 C ATOM 30744 N6 A A1437 125.088 40.948 -24.108 0.00 0.00 N ATOM 30745 N1 A A1437 124.981 41.907 -26.160 0.00 0.00 N ATOM 30746 C2 A A1437 124.534 42.890 -26.940 0.00 0.00 C ATOM 30747 N3 A A1437 123.713 43.887 -26.618 0.00 0.00 N ATOM 30748 C4 A A1437 123.296 43.803 -25.325 0.00 0.00 C ATOM 30749 P G A1438 117.266 44.741 -26.191 0.00 0.00 P ATOM 30750 O1P G A1438 115.981 45.312 -26.643 0.00 0.00 O ATOM 30751 O2P G A1438 117.249 43.702 -25.133 0.00 0.00 O ATOM 30752 O5* G A1438 118.052 44.163 -27.472 0.00 0.00 O ATOM 30753 C5* G A1438 118.090 44.879 -28.699 0.00 0.00 C ATOM 30754 C4* G A1438 118.940 44.140 -29.737 0.00 0.00 C ATOM 30755 O4* G A1438 120.279 44.015 -29.270 0.00 0.00 O ATOM 30756 C3* G A1438 118.427 42.731 -30.038 0.00 0.00 C ATOM 30757 O3* G A1438 117.346 42.713 -30.967 0.00 0.00 O ATOM 30758 C2* G A1438 119.714 42.058 -30.523 0.00 0.00 C ATOM 30759 O2* G A1438 120.062 42.367 -31.865 0.00 0.00 O ATOM 30760 C1* G A1438 120.757 42.725 -29.622 0.00 0.00 C ATOM 30761 N9 G A1438 121.046 41.907 -28.421 0.00 0.00 N ATOM 30762 C8 G A1438 120.611 42.020 -27.119 0.00 0.00 C ATOM 30763 N7 G A1438 121.193 41.198 -26.278 0.00 0.00 N ATOM 30764 C5 G A1438 122.042 40.458 -27.107 0.00 0.00 C ATOM 30765 C6 G A1438 122.958 39.403 -26.801 0.00 0.00 C ATOM 30766 O6 G A1438 123.190 38.934 -25.692 0.00 0.00 O ATOM 30767 N1 G A1438 123.637 38.903 -27.905 0.00 0.00 N ATOM 30768 C2 G A1438 123.389 39.345 -29.183 0.00 0.00 C ATOM 30769 N2 G A1438 123.891 38.695 -30.205 0.00 0.00 N ATOM 30770 N3 G A1438 122.563 40.337 -29.497 0.00 0.00 N ATOM 30771 C4 G A1438 121.927 40.861 -28.414 0.00 0.00 C ATOM 30772 P G A1439 116.313 41.483 -31.006 0.00 0.00 P ATOM 30773 O1P G A1439 115.103 41.860 -31.766 0.00 0.00 O ATOM 30774 O2P G A1439 116.096 41.047 -29.613 0.00 0.00 O ATOM 30775 O5* G A1439 117.064 40.290 -31.766 0.00 0.00 O ATOM 30776 C5* G A1439 117.362 40.305 -33.151 0.00 0.00 C ATOM 30777 C4* G A1439 118.214 39.070 -33.474 0.00 0.00 C ATOM 30778 O4* G A1439 119.422 39.133 -32.717 0.00 0.00 O ATOM 30779 C3* G A1439 117.540 37.736 -33.135 0.00 0.00 C ATOM 30780 O3* G A1439 116.676 37.246 -34.148 0.00 0.00 O ATOM 30781 C2* G A1439 118.768 36.854 -32.890 0.00 0.00 C ATOM 30782 O2* G A1439 119.442 36.406 -34.058 0.00 0.00 O ATOM 30783 C1* G A1439 119.715 37.836 -32.217 0.00 0.00 C ATOM 30784 N9 G A1439 119.621 37.754 -30.739 0.00 0.00 N ATOM 30785 C8 G A1439 118.907 38.494 -29.826 0.00 0.00 C ATOM 30786 N7 G A1439 119.165 38.195 -28.580 0.00 0.00 N ATOM 30787 C5 G A1439 120.075 37.139 -28.665 0.00 0.00 C ATOM 30788 C6 G A1439 120.731 36.341 -27.660 0.00 0.00 C ATOM 30789 O6 G A1439 120.703 36.420 -26.433 0.00 0.00 O ATOM 30790 N1 G A1439 121.501 35.322 -28.196 0.00 0.00 N ATOM 30791 C2 G A1439 121.666 35.117 -29.537 0.00 0.00 C ATOM 30792 N2 G A1439 122.353 34.074 -29.930 0.00 0.00 N ATOM 30793 N3 G A1439 121.128 35.869 -30.485 0.00 0.00 N ATOM 30794 C4 G A1439 120.329 36.854 -29.988 0.00 0.00 C ATOM 30795 P U A1440 115.593 36.101 -33.815 0.00 0.00 P ATOM 30796 O1P U A1440 114.851 35.770 -35.048 0.00 0.00 O ATOM 30797 O2P U A1440 114.867 36.506 -32.591 0.00 0.00 O ATOM 30798 O5* U A1440 116.540 34.851 -33.442 0.00 0.00 O ATOM 30799 C5* U A1440 116.108 33.840 -32.547 0.00 0.00 C ATOM 30800 C4* U A1440 117.324 33.041 -32.072 0.00 0.00 C ATOM 30801 O4* U A1440 118.145 33.847 -31.236 0.00 0.00 O ATOM 30802 C3* U A1440 116.955 31.843 -31.208 0.00 0.00 C ATOM 30803 O3* U A1440 116.508 30.741 -31.968 0.00 0.00 O ATOM 30804 C2* U A1440 118.266 31.609 -30.453 0.00 0.00 C ATOM 30805 O2* U A1440 119.292 30.988 -31.216 0.00 0.00 O ATOM 30806 C1* U A1440 118.738 33.044 -30.223 0.00 0.00 C ATOM 30807 N1 U A1440 118.422 33.543 -28.855 0.00 0.00 N ATOM 30808 C2 U A1440 119.236 33.104 -27.806 0.00 0.00 C ATOM 30809 O2 U A1440 120.061 32.203 -27.921 0.00 0.00 O ATOM 30810 N3 U A1440 119.088 33.730 -26.584 0.00 0.00 N ATOM 30811 C4 U A1440 118.111 34.653 -26.277 0.00 0.00 C ATOM 30812 O4 U A1440 118.036 35.092 -25.141 0.00 0.00 O ATOM 30813 C5 U A1440 117.260 35.016 -27.391 0.00 0.00 C ATOM 30814 C6 U A1440 117.437 34.479 -28.626 0.00 0.00 C ATOM 30815 P A A1441 115.994 29.399 -31.253 0.00 0.00 P ATOM 30816 O1P A A1441 114.996 28.795 -32.155 0.00 0.00 O ATOM 30817 O2P A A1441 115.637 29.750 -29.860 0.00 0.00 O ATOM 30818 O5* A A1441 117.328 28.489 -31.225 0.00 0.00 O ATOM 30819 C5* A A1441 117.909 28.025 -32.433 0.00 0.00 C ATOM 30820 C4* A A1441 118.877 26.859 -32.202 0.00 0.00 C ATOM 30821 O4* A A1441 120.032 27.264 -31.477 0.00 0.00 O ATOM 30822 C3* A A1441 118.246 25.708 -31.427 0.00 0.00 C ATOM 30823 O3* A A1441 117.447 24.881 -32.262 0.00 0.00 O ATOM 30824 C2* A A1441 119.510 25.012 -30.903 0.00 0.00 C ATOM 30825 O2* A A1441 120.101 24.121 -31.844 0.00 0.00 O ATOM 30826 C1* A A1441 120.496 26.165 -30.703 0.00 0.00 C ATOM 30827 N9 A A1441 120.618 26.569 -29.280 0.00 0.00 N ATOM 30828 C8 A A1441 120.392 27.805 -28.724 0.00 0.00 C ATOM 30829 N7 A A1441 120.655 27.886 -27.445 0.00 0.00 N ATOM 30830 C5 A A1441 121.058 26.585 -27.123 0.00 0.00 C ATOM 30831 C6 A A1441 121.465 25.939 -25.930 0.00 0.00 C ATOM 30832 N6 A A1441 121.548 26.509 -24.736 0.00 0.00 N ATOM 30833 N1 A A1441 121.831 24.655 -25.945 0.00 0.00 N ATOM 30834 C2 A A1441 121.795 24.007 -27.103 0.00 0.00 C ATOM 30835 N3 A A1441 121.434 24.474 -28.295 0.00 0.00 N ATOM 30836 C4 A A1441 121.062 25.784 -28.238 0.00 0.00 C ATOM 30837 P G A1442 116.051 24.267 -31.753 0.00 0.00 P ATOM 30838 O1P G A1442 115.585 23.280 -32.751 0.00 0.00 O ATOM 30839 O2P G A1442 115.175 25.376 -31.338 0.00 0.00 O ATOM 30840 O5* G A1442 116.495 23.484 -30.429 0.00 0.00 O ATOM 30841 C5* G A1442 117.271 22.307 -30.500 0.00 0.00 C ATOM 30842 C4* G A1442 117.807 21.970 -29.107 0.00 0.00 C ATOM 30843 O4* G A1442 118.485 23.081 -28.544 0.00 0.00 O ATOM 30844 C3* G A1442 116.720 21.620 -28.110 0.00 0.00 C ATOM 30845 O3* G A1442 116.274 20.290 -28.276 0.00 0.00 O ATOM 30846 C2* G A1442 117.449 21.908 -26.793 0.00 0.00 C ATOM 30847 O2* G A1442 118.426 20.942 -26.430 0.00 0.00 O ATOM 30848 C1* G A1442 118.236 23.158 -27.158 0.00 0.00 C ATOM 30849 N9 G A1442 117.536 24.399 -26.749 0.00 0.00 N ATOM 30850 C8 G A1442 116.822 25.337 -27.456 0.00 0.00 C ATOM 30851 N7 G A1442 116.402 26.339 -26.724 0.00 0.00 N ATOM 30852 C5 G A1442 116.861 26.049 -25.437 0.00 0.00 C ATOM 30853 C6 G A1442 116.746 26.743 -24.176 0.00 0.00 C ATOM 30854 O6 G A1442 116.223 27.825 -23.907 0.00 0.00 O ATOM 30855 N1 G A1442 117.333 26.049 -23.128 0.00 0.00 N ATOM 30856 C2 G A1442 117.987 24.857 -23.274 0.00 0.00 C ATOM 30857 N2 G A1442 118.512 24.281 -22.224 0.00 0.00 N ATOM 30858 N3 G A1442 118.134 24.210 -24.418 0.00 0.00 N ATOM 30859 C4 G A1442 117.543 24.853 -25.460 0.00 0.00 C ATOM 30860 P C A1443 115.006 19.763 -27.466 0.00 0.00 P ATOM 30861 O1P C A1443 114.616 18.443 -28.002 0.00 0.00 O ATOM 30862 O2P C A1443 114.026 20.869 -27.400 0.00 0.00 O ATOM 30863 O5* C A1443 115.625 19.568 -25.997 0.00 0.00 O ATOM 30864 C5* C A1443 114.769 19.552 -24.882 0.00 0.00 C ATOM 30865 C4* C A1443 115.542 19.656 -23.561 0.00 0.00 C ATOM 30866 O4* C A1443 116.394 20.801 -23.428 0.00 0.00 O ATOM 30867 C3* C A1443 114.497 19.801 -22.470 0.00 0.00 C ATOM 30868 O3* C A1443 113.959 18.549 -22.105 0.00 0.00 O ATOM 30869 C2* C A1443 115.233 20.589 -21.390 0.00 0.00 C ATOM 30870 O2* C A1443 116.169 19.827 -20.640 0.00 0.00 O ATOM 30871 C1* C A1443 116.006 21.569 -22.281 0.00 0.00 C ATOM 30872 N1 C A1443 115.197 22.765 -22.689 0.00 0.00 N ATOM 30873 C2 C A1443 114.854 23.746 -21.736 0.00 0.00 C ATOM 30874 O2 C A1443 115.149 23.642 -20.542 0.00 0.00 O ATOM 30875 N3 C A1443 114.168 24.854 -22.129 0.00 0.00 N ATOM 30876 C4 C A1443 113.841 25.005 -23.410 0.00 0.00 C ATOM 30877 N4 C A1443 113.180 26.076 -23.768 0.00 0.00 N ATOM 30878 C5 C A1443 114.173 24.052 -24.407 0.00 0.00 C ATOM 30879 C6 C A1443 114.842 22.951 -24.008 0.00 0.00 C ATOM 30880 P U A1444 112.370 18.348 -22.099 0.00 0.00 P ATOM 30881 O1P U A1444 112.065 16.954 -21.718 0.00 0.00 O ATOM 30882 O2P U A1444 111.823 18.940 -23.337 0.00 0.00 O ATOM 30883 O5* U A1444 112.032 19.325 -20.874 0.00 0.00 O ATOM 30884 C5* U A1444 112.574 19.058 -19.597 0.00 0.00 C ATOM 30885 C4* U A1444 112.274 20.193 -18.626 0.00 0.00 C ATOM 30886 O4* U A1444 112.744 21.455 -19.083 0.00 0.00 O ATOM 30887 C3* U A1444 110.788 20.388 -18.399 0.00 0.00 C ATOM 30888 O3* U A1444 110.233 19.313 -17.664 0.00 0.00 O ATOM 30889 C2* U A1444 110.839 21.746 -17.693 0.00 0.00 C ATOM 30890 O2* U A1444 111.279 21.688 -16.346 0.00 0.00 O ATOM 30891 C1* U A1444 111.968 22.456 -18.438 0.00 0.00 C ATOM 30892 N1 U A1444 111.442 23.486 -19.367 0.00 0.00 N ATOM 30893 C2 U A1444 111.140 24.732 -18.817 0.00 0.00 C ATOM 30894 O2 U A1444 111.136 24.972 -17.612 0.00 0.00 O ATOM 30895 N3 U A1444 110.819 25.732 -19.700 0.00 0.00 N ATOM 30896 C4 U A1444 110.583 25.581 -21.045 0.00 0.00 C ATOM 30897 O4 U A1444 110.180 26.540 -21.688 0.00 0.00 O ATOM 30898 C5 U A1444 110.841 24.246 -21.542 0.00 0.00 C ATOM 30899 C6 U A1444 111.264 23.252 -20.714 0.00 0.00 C ATOM 30900 P U A1445 108.650 19.093 -17.581 0.00 0.00 P ATOM 30901 O1P U A1445 108.381 17.745 -17.041 0.00 0.00 O ATOM 30902 O2P U A1445 108.033 19.557 -18.841 0.00 0.00 O ATOM 30903 O5* U A1445 108.290 20.157 -16.456 0.00 0.00 O ATOM 30904 C5* U A1445 108.689 19.981 -15.118 0.00 0.00 C ATOM 30905 C4* U A1445 108.302 21.239 -14.343 0.00 0.00 C ATOM 30906 O4* U A1445 108.911 22.411 -14.888 0.00 0.00 O ATOM 30907 C3* U A1445 106.797 21.480 -14.384 0.00 0.00 C ATOM 30908 O3* U A1445 106.084 20.647 -13.487 0.00 0.00 O ATOM 30909 C2* U A1445 106.766 22.959 -14.021 0.00 0.00 C ATOM 30910 O2* U A1445 106.973 23.200 -12.637 0.00 0.00 O ATOM 30911 C1* U A1445 107.985 23.495 -14.764 0.00 0.00 C ATOM 30912 N1 U A1445 107.593 24.066 -16.082 0.00 0.00 N ATOM 30913 C2 U A1445 107.300 25.436 -16.145 0.00 0.00 C ATOM 30914 O2 U A1445 107.178 26.156 -15.158 0.00 0.00 O ATOM 30915 N3 U A1445 107.172 25.990 -17.404 0.00 0.00 N ATOM 30916 C4 U A1445 107.400 25.315 -18.582 0.00 0.00 C ATOM 30917 O4 U A1445 107.560 25.964 -19.603 0.00 0.00 O ATOM 30918 C5 U A1445 107.516 23.882 -18.450 0.00 0.00 C ATOM 30919 C6 U A1445 107.588 23.301 -17.227 0.00 0.00 C ATOM 30920 P A A1446 104.519 20.367 -13.707 0.00 0.00 P ATOM 30921 O1P A A1446 104.180 19.488 -12.562 0.00 0.00 O ATOM 30922 O2P A A1446 104.313 19.931 -15.095 0.00 0.00 O ATOM 30923 O5* A A1446 103.862 21.803 -13.480 0.00 0.00 O ATOM 30924 C5* A A1446 103.749 22.347 -12.181 0.00 0.00 C ATOM 30925 C4* A A1446 103.348 23.816 -12.257 0.00 0.00 C ATOM 30926 O4* A A1446 104.280 24.553 -13.042 0.00 0.00 O ATOM 30927 C3* A A1446 101.983 24.047 -12.887 0.00 0.00 C ATOM 30928 O3* A A1446 100.899 23.811 -12.006 0.00 0.00 O ATOM 30929 C2* A A1446 102.133 25.517 -13.275 0.00 0.00 C ATOM 30930 O2* A A1446 102.114 26.453 -12.212 0.00 0.00 O ATOM 30931 C1* A A1446 103.575 25.567 -13.742 0.00 0.00 C ATOM 30932 N9 A A1446 103.623 25.433 -15.206 0.00 0.00 N ATOM 30933 C8 A A1446 103.865 24.333 -15.994 0.00 0.00 C ATOM 30934 N7 A A1446 103.984 24.612 -17.263 0.00 0.00 N ATOM 30935 C5 A A1446 103.709 25.980 -17.313 0.00 0.00 C ATOM 30936 C6 A A1446 103.685 26.934 -18.345 0.00 0.00 C ATOM 30937 N6 A A1446 104.055 26.689 -19.588 0.00 0.00 N ATOM 30938 N1 A A1446 103.361 28.203 -18.081 0.00 0.00 N ATOM 30939 C2 A A1446 103.088 28.544 -16.827 0.00 0.00 C ATOM 30940 N3 A A1446 103.131 27.775 -15.738 0.00 0.00 N ATOM 30941 C4 A A1446 103.447 26.484 -16.068 0.00 0.00 C ATOM 30942 P A A1447 99.733 22.776 -12.399 0.00 0.00 P ATOM 30943 O1P A A1447 99.920 21.550 -11.594 0.00 0.00 O ATOM 30944 O2P A A1447 99.622 22.699 -13.867 0.00 0.00 O ATOM 30945 O5* A A1447 98.441 23.516 -11.810 0.00 0.00 O ATOM 30946 C5* A A1447 97.218 23.546 -12.526 0.00 0.00 C ATOM 30947 C4* A A1447 96.431 24.808 -12.198 0.00 0.00 C ATOM 30948 O4* A A1447 95.733 24.700 -10.978 0.00 0.00 O ATOM 30949 C3* A A1447 97.286 26.063 -12.024 0.00 0.00 C ATOM 30950 O3* A A1447 97.932 26.445 -13.228 0.00 0.00 O ATOM 30951 C2* A A1447 96.203 26.996 -11.470 0.00 0.00 C ATOM 30952 O2* A A1447 95.311 27.410 -12.499 0.00 0.00 O ATOM 30953 C1* A A1447 95.412 26.021 -10.582 0.00 0.00 C ATOM 30954 N9 A A1447 95.629 26.093 -9.126 0.00 0.00 N ATOM 30955 C8 A A1447 96.651 25.586 -8.360 0.00 0.00 C ATOM 30956 N7 A A1447 96.374 25.512 -7.085 0.00 0.00 N ATOM 30957 C5 A A1447 95.068 26.028 -7.002 0.00 0.00 C ATOM 30958 C6 A A1447 94.110 26.279 -5.978 0.00 0.00 C ATOM 30959 N6 A A1447 94.287 26.257 -4.679 0.00 0.00 N ATOM 30960 N1 A A1447 92.901 26.745 -6.258 0.00 0.00 N ATOM 30961 C2 A A1447 92.618 27.016 -7.520 0.00 0.00 C ATOM 30962 N3 A A1447 93.409 26.901 -8.577 0.00 0.00 N ATOM 30963 C4 A A1447 94.627 26.393 -8.245 0.00 0.00 C ATOM 30964 P C A1448 98.938 27.682 -13.289 0.00 0.00 P ATOM 30965 O1P C A1448 99.826 27.544 -14.460 0.00 0.00 O ATOM 30966 O2P C A1448 99.652 27.840 -12.002 0.00 0.00 O ATOM 30967 O5* C A1448 98.015 28.974 -13.549 0.00 0.00 O ATOM 30968 C5* C A1448 98.346 30.271 -13.077 0.00 0.00 C ATOM 30969 C4* C A1448 98.261 31.363 -14.166 0.00 0.00 C ATOM 30970 O4* C A1448 99.260 31.234 -15.183 0.00 0.00 O ATOM 30971 C3* C A1448 96.920 31.440 -14.889 0.00 0.00 C ATOM 30972 O3* C A1448 95.943 32.113 -14.117 0.00 0.00 O ATOM 30973 C2* C A1448 97.331 32.200 -16.159 0.00 0.00 C ATOM 30974 O2* C A1448 97.550 33.590 -15.945 0.00 0.00 O ATOM 30975 C1* C A1448 98.696 31.580 -16.459 0.00 0.00 C ATOM 30976 N1 C A1448 98.591 30.384 -17.355 0.00 0.00 N ATOM 30977 C2 C A1448 98.506 30.538 -18.752 0.00 0.00 C ATOM 30978 O2 C A1448 98.357 31.643 -19.282 0.00 0.00 O ATOM 30979 N3 C A1448 98.565 29.440 -19.558 0.00 0.00 N ATOM 30980 C4 C A1448 98.682 28.233 -19.009 0.00 0.00 C ATOM 30981 N4 C A1448 98.711 27.191 -19.806 0.00 0.00 N ATOM 30982 C5 C A1448 98.686 28.025 -17.604 0.00 0.00 C ATOM 30983 C6 C A1448 98.632 29.123 -16.819 0.00 0.00 C ATOM 30984 P C A1449 94.385 31.823 -14.337 0.00 0.00 P ATOM 30985 O1P C A1449 93.636 32.734 -13.442 0.00 0.00 O ATOM 30986 O2P C A1449 94.204 30.359 -14.235 0.00 0.00 O ATOM 30987 O5* C A1449 94.154 32.272 -15.875 0.00 0.00 O ATOM 30988 C5* C A1449 93.966 33.636 -16.213 0.00 0.00 C ATOM 30989 C4* C A1449 93.714 33.879 -17.708 0.00 0.00 C ATOM 30990 O4* C A1449 94.801 33.472 -18.536 0.00 0.00 O ATOM 30991 C3* C A1449 92.484 33.135 -18.211 0.00 0.00 C ATOM 30992 O3* C A1449 91.274 33.768 -17.837 0.00 0.00 O ATOM 30993 C2* C A1449 92.759 33.134 -19.718 0.00 0.00 C ATOM 30994 O2* C A1449 92.483 34.371 -20.363 0.00 0.00 O ATOM 30995 C1* C A1449 94.277 32.940 -19.755 0.00 0.00 C ATOM 30996 N1 C A1449 94.630 31.501 -19.921 0.00 0.00 N ATOM 30997 C2 C A1449 94.639 30.947 -21.210 0.00 0.00 C ATOM 30998 O2 C A1449 94.319 31.606 -22.202 0.00 0.00 O ATOM 30999 N3 C A1449 95.002 29.651 -21.389 0.00 0.00 N ATOM 31000 C4 C A1449 95.364 28.927 -20.336 0.00 0.00 C ATOM 31001 N4 C A1449 95.710 27.684 -20.568 0.00 0.00 N ATOM 31002 C5 C A1449 95.328 29.430 -19.002 0.00 0.00 C ATOM 31003 C6 C A1449 94.944 30.717 -18.837 0.00 0.00 C ATOM 31004 P U A1450 89.924 32.925 -17.633 0.00 0.00 P ATOM 31005 O1P U A1450 88.828 33.861 -17.305 0.00 0.00 O ATOM 31006 O2P U A1450 90.213 31.769 -16.762 0.00 0.00 O ATOM 31007 O5* U A1450 89.683 32.349 -19.107 0.00 0.00 O ATOM 31008 C5* U A1450 89.245 33.190 -20.148 0.00 0.00 C ATOM 31009 C4* U A1450 89.210 32.406 -21.455 0.00 0.00 C ATOM 31010 O4* U A1450 90.502 31.935 -21.855 0.00 0.00 O ATOM 31011 C3* U A1450 88.320 31.160 -21.408 0.00 0.00 C ATOM 31012 O3* U A1450 86.918 31.402 -21.420 0.00 0.00 O ATOM 31013 C2* U A1450 88.834 30.506 -22.685 0.00 0.00 C ATOM 31014 O2* U A1450 88.375 31.269 -23.787 0.00 0.00 O ATOM 31015 C1* U A1450 90.349 30.706 -22.569 0.00 0.00 C ATOM 31016 N1 U A1450 91.042 29.559 -21.893 0.00 0.00 N ATOM 31017 C2 U A1450 91.458 28.471 -22.677 0.00 0.00 C ATOM 31018 O2 U A1450 91.249 28.391 -23.883 0.00 0.00 O ATOM 31019 N3 U A1450 92.130 27.442 -22.044 0.00 0.00 N ATOM 31020 C4 U A1450 92.400 27.375 -20.698 0.00 0.00 C ATOM 31021 O4 U A1450 92.947 26.384 -20.233 0.00 0.00 O ATOM 31022 C5 U A1450 91.965 28.534 -19.947 0.00 0.00 C ATOM 31023 C6 U A1450 91.310 29.567 -20.540 0.00 0.00 C ATOM 31024 P U A1451 85.872 30.174 -21.354 0.00 0.00 P ATOM 31025 O1P U A1451 84.634 30.658 -20.712 0.00 0.00 O ATOM 31026 O2P U A1451 86.597 28.999 -20.801 0.00 0.00 O ATOM 31027 O5* U A1451 85.548 29.899 -22.919 0.00 0.00 O ATOM 31028 C5* U A1451 84.341 29.282 -23.368 0.00 0.00 C ATOM 31029 C4* U A1451 84.058 29.566 -24.861 0.00 0.00 C ATOM 31030 O4* U A1451 83.699 30.932 -25.018 0.00 0.00 O ATOM 31031 C3* U A1451 85.261 29.311 -25.785 0.00 0.00 C ATOM 31032 O3* U A1451 85.459 28.009 -26.327 0.00 0.00 O ATOM 31033 C2* U A1451 85.204 30.432 -26.831 0.00 0.00 C ATOM 31034 O2* U A1451 84.594 30.113 -28.069 0.00 0.00 O ATOM 31035 C1* U A1451 84.305 31.485 -26.180 0.00 0.00 C ATOM 31036 N1 U A1451 85.046 32.721 -25.814 0.00 0.00 N ATOM 31037 C2 U A1451 84.854 33.881 -26.577 0.00 0.00 C ATOM 31038 O2 U A1451 84.154 33.921 -27.584 0.00 0.00 O ATOM 31039 N3 U A1451 85.497 35.031 -26.149 0.00 0.00 N ATOM 31040 C4 U A1451 86.320 35.119 -25.043 0.00 0.00 C ATOM 31041 O4 U A1451 86.830 36.192 -24.752 0.00 0.00 O ATOM 31042 C5 U A1451 86.489 33.879 -24.319 0.00 0.00 C ATOM 31043 C6 U A1451 85.865 32.741 -24.711 0.00 0.00 C ATOM 31044 P C A1452 84.300 26.929 -26.652 0.00 0.00 P ATOM 31045 O1P C A1452 83.492 27.356 -27.809 0.00 0.00 O ATOM 31046 O2P C A1452 83.645 26.549 -25.382 0.00 0.00 O ATOM 31047 O5* C A1452 85.230 25.708 -27.117 0.00 0.00 O ATOM 31048 C5* C A1452 86.093 25.815 -28.240 0.00 0.00 C ATOM 31049 C4* C A1452 87.399 25.051 -27.986 0.00 0.00 C ATOM 31050 O4* C A1452 88.103 25.721 -26.946 0.00 0.00 O ATOM 31051 C3* C A1452 87.182 23.597 -27.529 0.00 0.00 C ATOM 31052 O3* C A1452 88.234 22.759 -27.995 0.00 0.00 O ATOM 31053 C2* C A1452 87.269 23.753 -26.007 0.00 0.00 C ATOM 31054 O2* C A1452 87.542 22.552 -25.300 0.00 0.00 O ATOM 31055 C1* C A1452 88.388 24.783 -25.926 0.00 0.00 C ATOM 31056 N1 C A1452 88.455 25.428 -24.592 0.00 0.00 N ATOM 31057 C2 C A1452 89.367 24.937 -23.656 0.00 0.00 C ATOM 31058 O2 C A1452 90.073 23.971 -23.927 0.00 0.00 O ATOM 31059 N3 C A1452 89.451 25.506 -22.428 0.00 0.00 N ATOM 31060 C4 C A1452 88.624 26.486 -22.116 0.00 0.00 C ATOM 31061 N4 C A1452 88.752 26.982 -20.913 0.00 0.00 N ATOM 31062 C5 C A1452 87.634 26.980 -23.018 0.00 0.00 C ATOM 31063 C6 C A1452 87.583 26.426 -24.250 0.00 0.00 C ATOM 31064 P G A1453 88.173 22.024 -29.425 0.00 0.00 P ATOM 31065 O1P G A1453 86.753 21.807 -29.775 0.00 0.00 O ATOM 31066 O2P G A1453 89.110 20.882 -29.399 0.00 0.00 O ATOM 31067 O5* G A1453 88.755 23.129 -30.433 0.00 0.00 O ATOM 31068 C5* G A1453 90.085 23.613 -30.338 0.00 0.00 C ATOM 31069 C4* G A1453 90.219 24.795 -31.300 0.00 0.00 C ATOM 31070 O4* G A1453 89.233 25.753 -30.956 0.00 0.00 O ATOM 31071 C3* G A1453 91.553 25.537 -31.217 0.00 0.00 C ATOM 31072 O3* G A1453 92.543 24.922 -32.031 0.00 0.00 O ATOM 31073 C2* G A1453 91.140 26.948 -31.693 0.00 0.00 C ATOM 31074 O2* G A1453 91.231 27.132 -33.102 0.00 0.00 O ATOM 31075 C1* G A1453 89.656 27.038 -31.345 0.00 0.00 C ATOM 31076 N9 G A1453 89.346 28.002 -30.256 0.00 0.00 N ATOM 31077 C8 G A1453 88.552 29.117 -30.342 0.00 0.00 C ATOM 31078 N7 G A1453 88.346 29.727 -29.208 0.00 0.00 N ATOM 31079 C5 G A1453 89.088 28.984 -28.288 0.00 0.00 C ATOM 31080 C6 G A1453 89.278 29.156 -26.869 0.00 0.00 C ATOM 31081 O6 G A1453 88.831 30.007 -26.093 0.00 0.00 O ATOM 31082 N1 G A1453 90.112 28.202 -26.329 0.00 0.00 N ATOM 31083 C2 G A1453 90.717 27.212 -27.035 0.00 0.00 C ATOM 31084 N2 G A1453 91.499 26.419 -26.337 0.00 0.00 N ATOM 31085 N3 G A1453 90.598 27.045 -28.355 0.00 0.00 N ATOM 31086 C4 G A1453 89.744 27.948 -28.931 0.00 0.00 C ATOM 31087 P G A1454 93.947 24.410 -31.430 0.00 0.00 P ATOM 31088 O1P G A1454 94.698 23.723 -32.501 0.00 0.00 O ATOM 31089 O2P G A1454 93.678 23.736 -30.144 0.00 0.00 O ATOM 31090 O5* G A1454 94.699 25.782 -31.100 0.00 0.00 O ATOM 31091 C5* G A1454 94.922 26.758 -32.097 0.00 0.00 C ATOM 31092 C4* G A1454 94.851 28.132 -31.440 0.00 0.00 C ATOM 31093 O4* G A1454 93.748 28.194 -30.542 0.00 0.00 O ATOM 31094 C3* G A1454 96.078 28.488 -30.623 0.00 0.00 C ATOM 31095 O3* G A1454 97.153 28.931 -31.432 0.00 0.00 O ATOM 31096 C2* G A1454 95.438 29.562 -29.744 0.00 0.00 C ATOM 31097 O2* G A1454 95.131 30.771 -30.427 0.00 0.00 O ATOM 31098 C1* G A1454 94.098 28.945 -29.400 0.00 0.00 C ATOM 31099 N9 G A1454 94.207 28.140 -28.159 0.00 0.00 N ATOM 31100 C8 G A1454 94.339 26.788 -27.961 0.00 0.00 C ATOM 31101 N7 G A1454 94.479 26.447 -26.704 0.00 0.00 N ATOM 31102 C5 G A1454 94.438 27.661 -26.011 0.00 0.00 C ATOM 31103 C6 G A1454 94.520 27.983 -24.607 0.00 0.00 C ATOM 31104 O6 G A1454 94.623 27.240 -23.629 0.00 0.00 O ATOM 31105 N1 G A1454 94.439 29.345 -24.358 0.00 0.00 N ATOM 31106 C2 G A1454 94.235 30.281 -25.335 0.00 0.00 C ATOM 31107 N2 G A1454 94.159 31.545 -25.001 0.00 0.00 N ATOM 31108 N3 G A1454 94.130 30.018 -26.630 0.00 0.00 N ATOM 31109 C4 G A1454 94.249 28.691 -26.906 0.00 0.00 C ATOM 31110 P G A1455 98.648 29.005 -30.852 0.00 0.00 P ATOM 31111 O1P G A1455 99.561 29.386 -31.951 0.00 0.00 O ATOM 31112 O2P G A1455 98.892 27.786 -30.056 0.00 0.00 O ATOM 31113 O5* G A1455 98.534 30.237 -29.842 0.00 0.00 O ATOM 31114 C5* G A1455 98.324 31.547 -30.323 0.00 0.00 C ATOM 31115 C4* G A1455 97.849 32.425 -29.169 0.00 0.00 C ATOM 31116 O4* G A1455 96.748 31.840 -28.467 0.00 0.00 O ATOM 31117 C3* G A1455 98.895 32.647 -28.101 0.00 0.00 C ATOM 31118 O3* G A1455 99.835 33.637 -28.405 0.00 0.00 O ATOM 31119 C2* G A1455 97.970 33.054 -26.962 0.00 0.00 C ATOM 31120 O2* G A1455 97.208 34.248 -27.158 0.00 0.00 O ATOM 31121 C1* G A1455 96.924 31.985 -27.054 0.00 0.00 C ATOM 31122 N9 G A1455 97.377 30.796 -26.269 0.00 0.00 N ATOM 31123 C8 G A1455 97.677 29.519 -26.671 0.00 0.00 C ATOM 31124 N7 G A1455 97.930 28.694 -25.687 0.00 0.00 N ATOM 31125 C5 G A1455 97.862 29.484 -24.538 0.00 0.00 C ATOM 31126 C6 G A1455 98.068 29.181 -23.138 0.00 0.00 C ATOM 31127 O6 G A1455 98.312 28.110 -22.574 0.00 0.00 O ATOM 31128 N1 G A1455 97.974 30.299 -22.328 0.00 0.00 N ATOM 31129 C2 G A1455 97.678 31.547 -22.790 0.00 0.00 C ATOM 31130 N2 G A1455 97.687 32.543 -21.941 0.00 0.00 N ATOM 31131 N3 G A1455 97.441 31.850 -24.061 0.00 0.00 N ATOM 31132 C4 G A1455 97.556 30.780 -24.899 0.00 0.00 C ATOM 31133 P A A1456 101.213 33.672 -27.613 0.00 0.00 P ATOM 31134 O1P A A1456 102.022 34.696 -28.311 0.00 0.00 O ATOM 31135 O2P A A1456 101.732 32.291 -27.559 0.00 0.00 O ATOM 31136 O5* A A1456 100.800 34.100 -26.064 0.00 0.00 O ATOM 31137 C5* A A1456 99.909 35.173 -25.681 0.00 0.00 C ATOM 31138 C4* A A1456 100.114 35.683 -24.243 0.00 0.00 C ATOM 31139 O4* A A1456 99.365 34.816 -23.394 0.00 0.00 O ATOM 31140 C3* A A1456 101.523 35.773 -23.634 0.00 0.00 C ATOM 31141 O3* A A1456 102.127 37.044 -23.670 0.00 0.00 O ATOM 31142 C2* A A1456 101.230 35.545 -22.158 0.00 0.00 C ATOM 31143 O2* A A1456 100.727 36.698 -21.518 0.00 0.00 O ATOM 31144 C1* A A1456 100.096 34.572 -22.211 0.00 0.00 C ATOM 31145 N9 A A1456 100.669 33.224 -22.173 0.00 0.00 N ATOM 31146 C8 A A1456 100.850 32.296 -23.169 0.00 0.00 C ATOM 31147 N7 A A1456 101.226 31.128 -22.724 0.00 0.00 N ATOM 31148 C5 A A1456 101.360 31.340 -21.349 0.00 0.00 C ATOM 31149 C6 A A1456 101.728 30.536 -20.256 0.00 0.00 C ATOM 31150 N6 A A1456 101.997 29.253 -20.380 0.00 0.00 N ATOM 31151 N1 A A1456 101.816 31.049 -19.018 0.00 0.00 N ATOM 31152 C2 A A1456 101.531 32.337 -18.864 0.00 0.00 C ATOM 31153 N3 A A1456 101.140 33.207 -19.785 0.00 0.00 N ATOM 31154 C4 A A1456 101.076 32.630 -21.016 0.00 0.00 C ATOM 31155 P G A1457 103.701 37.187 -23.507 0.00 0.00 P ATOM 31156 O1P G A1457 104.013 38.618 -23.680 0.00 0.00 O ATOM 31157 O2P G A1457 104.327 36.159 -24.366 0.00 0.00 O ATOM 31158 O5* G A1457 103.942 36.738 -21.964 0.00 0.00 O ATOM 31159 C5* G A1457 103.813 37.543 -20.802 0.00 0.00 C ATOM 31160 C4* G A1457 104.412 36.820 -19.544 0.00 0.00 C ATOM 31161 O4* G A1457 103.613 35.646 -19.398 0.00 0.00 O ATOM 31162 C3* G A1457 105.871 36.263 -19.315 0.00 0.00 C ATOM 31163 O3* G A1457 107.015 37.129 -19.082 0.00 0.00 O ATOM 31164 C2* G A1457 105.558 35.375 -18.105 0.00 0.00 C ATOM 31165 O2* G A1457 105.267 36.091 -16.909 0.00 0.00 O ATOM 31166 C1* G A1457 104.273 34.702 -18.567 0.00 0.00 C ATOM 31167 N9 G A1457 104.583 33.424 -19.269 0.00 0.00 N ATOM 31168 C8 G A1457 104.395 33.076 -20.585 0.00 0.00 C ATOM 31169 N7 G A1457 104.736 31.848 -20.869 0.00 0.00 N ATOM 31170 C5 G A1457 105.195 31.329 -19.654 0.00 0.00 C ATOM 31171 C6 G A1457 105.692 30.024 -19.289 0.00 0.00 C ATOM 31172 O6 G A1457 105.824 29.012 -19.974 0.00 0.00 O ATOM 31173 N1 G A1457 106.052 29.913 -17.951 0.00 0.00 N ATOM 31174 C2 G A1457 105.890 30.934 -17.057 0.00 0.00 C ATOM 31175 N2 G A1457 106.166 30.711 -15.790 0.00 0.00 N ATOM 31176 N3 G A1457 105.420 32.147 -17.351 0.00 0.00 N ATOM 31177 C4 G A1457 105.096 32.291 -18.672 0.00 0.00 C ATOM 31178 P G A1458 108.546 36.577 -19.344 0.00 0.00 P ATOM 31179 O1P G A1458 109.629 37.504 -19.013 0.00 0.00 O ATOM 31180 O2P G A1458 108.643 35.802 -20.581 0.00 0.00 O ATOM 31181 O5* G A1458 108.509 35.580 -18.175 0.00 0.00 O ATOM 31182 C5* G A1458 108.644 35.984 -16.853 0.00 0.00 C ATOM 31183 C4* G A1458 109.351 34.770 -16.266 0.00 0.00 C ATOM 31184 O4* G A1458 108.407 33.701 -16.446 0.00 0.00 O ATOM 31185 C3* G A1458 110.669 34.358 -16.974 0.00 0.00 C ATOM 31186 O3* G A1458 111.892 34.947 -16.502 0.00 0.00 O ATOM 31187 C2* G A1458 110.542 32.848 -16.763 0.00 0.00 C ATOM 31188 O2* G A1458 110.715 32.461 -15.408 0.00 0.00 O ATOM 31189 C1* G A1458 109.067 32.597 -17.044 0.00 0.00 C ATOM 31190 N9 G A1458 108.821 32.303 -18.493 0.00 0.00 N ATOM 31191 C8 G A1458 108.292 33.010 -19.555 0.00 0.00 C ATOM 31192 N7 G A1458 108.298 32.368 -20.693 0.00 0.00 N ATOM 31193 C5 G A1458 108.782 31.110 -20.364 0.00 0.00 C ATOM 31194 C6 G A1458 108.915 29.909 -21.140 0.00 0.00 C ATOM 31195 O6 G A1458 108.769 29.726 -22.345 0.00 0.00 O ATOM 31196 N1 G A1458 109.218 28.809 -20.360 0.00 0.00 N ATOM 31197 C2 G A1458 109.438 28.874 -19.016 0.00 0.00 C ATOM 31198 N2 G A1458 109.459 27.760 -18.338 0.00 0.00 N ATOM 31199 N3 G A1458 109.400 29.969 -18.278 0.00 0.00 N ATOM 31200 C4 G A1458 109.053 31.060 -19.014 0.00 0.00 C ATOM 31201 P G A1459 113.313 34.591 -17.210 0.00 0.00 P ATOM 31202 O1P G A1459 114.341 35.630 -16.947 0.00 0.00 O ATOM 31203 O2P G A1459 113.093 34.158 -18.596 0.00 0.00 O ATOM 31204 O5* G A1459 113.820 33.283 -16.446 0.00 0.00 O ATOM 31205 C5* G A1459 113.880 33.153 -15.038 0.00 0.00 C ATOM 31206 C4* G A1459 114.049 31.670 -14.719 0.00 0.00 C ATOM 31207 O4* G A1459 112.999 30.893 -15.280 0.00 0.00 O ATOM 31208 C3* G A1459 115.356 31.140 -15.295 0.00 0.00 C ATOM 31209 O3* G A1459 116.455 31.481 -14.468 0.00 0.00 O ATOM 31210 C2* G A1459 115.047 29.652 -15.388 0.00 0.00 C ATOM 31211 O2* G A1459 115.167 28.985 -14.138 0.00 0.00 O ATOM 31212 C1* G A1459 113.574 29.709 -15.823 0.00 0.00 C ATOM 31213 N9 G A1459 113.449 29.683 -17.304 0.00 0.00 N ATOM 31214 C8 G A1459 113.195 30.681 -18.217 0.00 0.00 C ATOM 31215 N7 G A1459 113.099 30.265 -19.451 0.00 0.00 N ATOM 31216 C5 G A1459 113.342 28.894 -19.367 0.00 0.00 C ATOM 31217 C6 G A1459 113.417 27.865 -20.372 0.00 0.00 C ATOM 31218 O6 G A1459 113.193 27.918 -21.579 0.00 0.00 O ATOM 31219 N1 G A1459 113.818 26.645 -19.857 0.00 0.00 N ATOM 31220 C2 G A1459 114.031 26.409 -18.528 0.00 0.00 C ATOM 31221 N2 G A1459 114.412 25.208 -18.165 0.00 0.00 N ATOM 31222 N3 G A1459 113.904 27.317 -17.567 0.00 0.00 N ATOM 31223 C4 G A1459 113.578 28.546 -18.055 0.00 0.00 C ATOM 31224 P C A1460 117.843 31.920 -15.116 0.00 0.00 P ATOM 31225 O1P C A1460 118.644 32.358 -13.951 0.00 0.00 O ATOM 31226 O2P C A1460 117.528 32.851 -16.241 0.00 0.00 O ATOM 31227 O5* C A1460 118.389 30.488 -15.630 0.00 0.00 O ATOM 31228 C5* C A1460 118.779 29.437 -14.742 0.00 0.00 C ATOM 31229 C4* C A1460 119.083 28.107 -15.457 0.00 0.00 C ATOM 31230 O4* C A1460 117.930 27.554 -16.090 0.00 0.00 O ATOM 31231 C3* C A1460 120.175 28.202 -16.517 0.00 0.00 C ATOM 31232 O3* C A1460 121.481 28.199 -15.959 0.00 0.00 O ATOM 31233 C2* C A1460 119.850 26.953 -17.348 0.00 0.00 C ATOM 31234 O2* C A1460 120.254 25.731 -16.738 0.00 0.00 O ATOM 31235 C1* C A1460 118.316 26.975 -17.339 0.00 0.00 C ATOM 31236 N1 C A1460 117.754 27.746 -18.489 0.00 0.00 N ATOM 31237 C2 C A1460 117.645 27.124 -19.745 0.00 0.00 C ATOM 31238 O2 C A1460 118.047 25.973 -19.943 0.00 0.00 O ATOM 31239 N3 C A1460 117.088 27.803 -20.783 0.00 0.00 N ATOM 31240 C4 C A1460 116.656 29.048 -20.599 0.00 0.00 C ATOM 31241 N4 C A1460 116.095 29.658 -21.614 0.00 0.00 N ATOM 31242 C5 C A1460 116.747 29.717 -19.349 0.00 0.00 C ATOM 31243 C6 C A1460 117.307 29.037 -18.324 0.00 0.00 C ATOM 31244 P G A1461 122.510 29.395 -16.262 0.00 0.00 P ATOM 31245 O1P G A1461 123.743 29.163 -15.482 0.00 0.00 O ATOM 31246 O2P G A1461 121.776 30.670 -16.135 0.00 0.00 O ATOM 31247 O5* G A1461 122.834 29.145 -17.817 0.00 0.00 O ATOM 31248 C5* G A1461 123.587 28.016 -18.222 0.00 0.00 C ATOM 31249 C4* G A1461 123.464 27.779 -19.728 0.00 0.00 C ATOM 31250 O4* G A1461 122.092 27.683 -20.106 0.00 0.00 O ATOM 31251 C3* G A1461 124.097 28.870 -20.590 0.00 0.00 C ATOM 31252 O3* G A1461 125.518 28.759 -20.668 0.00 0.00 O ATOM 31253 C2* G A1461 123.328 28.615 -21.897 0.00 0.00 C ATOM 31254 O2* G A1461 123.726 27.464 -22.624 0.00 0.00 O ATOM 31255 C1* G A1461 121.929 28.277 -21.384 0.00 0.00 C ATOM 31256 N9 G A1461 121.088 29.491 -21.328 0.00 0.00 N ATOM 31257 C8 G A1461 120.692 30.237 -20.247 0.00 0.00 C ATOM 31258 N7 G A1461 119.966 31.275 -20.561 0.00 0.00 N ATOM 31259 C5 G A1461 119.880 31.225 -21.954 0.00 0.00 C ATOM 31260 C6 G A1461 119.240 32.098 -22.900 0.00 0.00 C ATOM 31261 O6 G A1461 118.586 33.115 -22.701 0.00 0.00 O ATOM 31262 N1 G A1461 119.420 31.709 -24.218 0.00 0.00 N ATOM 31263 C2 G A1461 120.140 30.600 -24.582 0.00 0.00 C ATOM 31264 N2 G A1461 120.323 30.381 -25.862 0.00 0.00 N ATOM 31265 N3 G A1461 120.718 29.748 -23.731 0.00 0.00 N ATOM 31266 C4 G A1461 120.560 30.125 -22.427 0.00 0.00 C ATOM 31267 P C A1462 126.443 29.965 -21.212 0.00 0.00 P ATOM 31268 O1P C A1462 127.868 29.651 -20.955 0.00 0.00 O ATOM 31269 O2P C A1462 125.950 31.235 -20.644 0.00 0.00 O ATOM 31270 O5* C A1462 126.134 29.943 -22.798 0.00 0.00 O ATOM 31271 C5* C A1462 126.513 28.863 -23.646 0.00 0.00 C ATOM 31272 C4* C A1462 126.044 29.110 -25.093 0.00 0.00 C ATOM 31273 O4* C A1462 124.641 29.358 -25.210 0.00 0.00 O ATOM 31274 C3* C A1462 126.758 30.307 -25.703 0.00 0.00 C ATOM 31275 O3* C A1462 128.058 29.944 -26.137 0.00 0.00 O ATOM 31276 C2* C A1462 125.780 30.692 -26.818 0.00 0.00 C ATOM 31277 O2* C A1462 125.874 29.888 -27.980 0.00 0.00 O ATOM 31278 C1* C A1462 124.420 30.370 -26.205 0.00 0.00 C ATOM 31279 N1 C A1462 123.756 31.589 -25.646 0.00 0.00 N ATOM 31280 C2 C A1462 123.105 32.494 -26.508 0.00 0.00 C ATOM 31281 O2 C A1462 123.214 32.433 -27.736 0.00 0.00 O ATOM 31282 N3 C A1462 122.339 33.496 -25.986 0.00 0.00 N ATOM 31283 C4 C A1462 122.268 33.631 -24.665 0.00 0.00 C ATOM 31284 N4 C A1462 121.465 34.556 -24.201 0.00 0.00 N ATOM 31285 C5 C A1462 122.966 32.787 -23.758 0.00 0.00 C ATOM 31286 C6 C A1462 123.712 31.792 -24.288 0.00 0.00 C ATOM 31287 P U A1463 129.227 31.030 -26.282 0.00 0.00 P ATOM 31288 O1P U A1463 130.488 30.320 -26.572 0.00 0.00 O ATOM 31289 O2P U A1463 129.131 31.963 -25.138 0.00 0.00 O ATOM 31290 O5* U A1463 128.761 31.815 -27.596 0.00 0.00 O ATOM 31291 C5* U A1463 128.851 31.255 -28.889 0.00 0.00 C ATOM 31292 C4* U A1463 128.099 32.156 -29.879 0.00 0.00 C ATOM 31293 O4* U A1463 126.730 32.333 -29.503 0.00 0.00 O ATOM 31294 C3* U A1463 128.673 33.566 -29.971 0.00 0.00 C ATOM 31295 O3* U A1463 129.854 33.664 -30.742 0.00 0.00 O ATOM 31296 C2* U A1463 127.482 34.304 -30.588 0.00 0.00 C ATOM 31297 O2* U A1463 127.277 34.010 -31.966 0.00 0.00 O ATOM 31298 C1* U A1463 126.327 33.675 -29.811 0.00 0.00 C ATOM 31299 N1 U A1463 125.979 34.479 -28.599 0.00 0.00 N ATOM 31300 C2 U A1463 125.053 35.524 -28.735 0.00 0.00 C ATOM 31301 O2 U A1463 124.755 36.043 -29.810 0.00 0.00 O ATOM 31302 N3 U A1463 124.481 36.010 -27.573 0.00 0.00 N ATOM 31303 C4 U A1463 124.892 35.698 -26.294 0.00 0.00 C ATOM 31304 O4 U A1463 124.335 36.204 -25.333 0.00 0.00 O ATOM 31305 C5 U A1463 125.988 34.761 -26.235 0.00 0.00 C ATOM 31306 C6 U A1463 126.493 34.186 -27.354 0.00 0.00 C ATOM 31307 P U A1464 130.881 34.868 -30.487 0.00 0.00 P ATOM 31308 O1P U A1464 131.999 34.731 -31.442 0.00 0.00 O ATOM 31309 O2P U A1464 131.137 34.936 -29.035 0.00 0.00 O ATOM 31310 O5* U A1464 130.016 36.165 -30.881 0.00 0.00 O ATOM 31311 C5* U A1464 129.740 36.489 -32.229 0.00 0.00 C ATOM 31312 C4* U A1464 128.885 37.760 -32.306 0.00 0.00 C ATOM 31313 O4* U A1464 127.691 37.645 -31.531 0.00 0.00 O ATOM 31314 C3* U A1464 129.605 39.000 -31.789 0.00 0.00 C ATOM 31315 O3* U A1464 130.525 39.537 -32.721 0.00 0.00 O ATOM 31316 C2* U A1464 128.409 39.911 -31.513 0.00 0.00 C ATOM 31317 O2* U A1464 127.817 40.476 -32.673 0.00 0.00 O ATOM 31318 C1* U A1464 127.386 38.920 -30.965 0.00 0.00 C ATOM 31319 N1 U A1464 127.374 38.932 -29.474 0.00 0.00 N ATOM 31320 C2 U A1464 126.735 40.010 -28.851 0.00 0.00 C ATOM 31321 O2 U A1464 126.241 40.956 -29.459 0.00 0.00 O ATOM 31322 N3 U A1464 126.639 39.967 -27.478 0.00 0.00 N ATOM 31323 C4 U A1464 127.105 38.971 -26.657 0.00 0.00 C ATOM 31324 O4 U A1464 126.899 39.049 -25.450 0.00 0.00 O ATOM 31325 C5 U A1464 127.798 37.908 -27.362 0.00 0.00 C ATOM 31326 C6 U A1464 127.924 37.918 -28.717 0.00 0.00 C ATOM 31327 P A A1465 131.628 40.611 -32.266 0.00 0.00 P ATOM 31328 O1P A A1465 132.576 40.800 -33.383 0.00 0.00 O ATOM 31329 O2P A A1465 132.113 40.217 -30.928 0.00 0.00 O ATOM 31330 O5* A A1465 130.771 41.960 -32.083 0.00 0.00 O ATOM 31331 C5* A A1465 130.360 42.745 -33.186 0.00 0.00 C ATOM 31332 C4* A A1465 129.673 44.028 -32.703 0.00 0.00 C ATOM 31333 O4* A A1465 128.491 43.722 -31.961 0.00 0.00 O ATOM 31334 C3* A A1465 130.558 44.887 -31.796 0.00 0.00 C ATOM 31335 O3* A A1465 131.522 45.684 -32.478 0.00 0.00 O ATOM 31336 C2* A A1465 129.474 45.697 -31.075 0.00 0.00 C ATOM 31337 O2* A A1465 128.928 46.756 -31.852 0.00 0.00 O ATOM 31338 C1* A A1465 128.371 44.657 -30.892 0.00 0.00 C ATOM 31339 N9 A A1465 128.525 43.980 -29.587 0.00 0.00 N ATOM 31340 C8 A A1465 129.298 42.887 -29.273 0.00 0.00 C ATOM 31341 N7 A A1465 129.219 42.514 -28.029 0.00 0.00 N ATOM 31342 C5 A A1465 128.352 43.453 -27.474 0.00 0.00 C ATOM 31343 C6 A A1465 127.849 43.648 -26.175 0.00 0.00 C ATOM 31344 N6 A A1465 128.164 42.824 -25.196 0.00 0.00 N ATOM 31345 N1 A A1465 127.020 44.668 -25.902 0.00 0.00 N ATOM 31346 C2 A A1465 126.699 45.477 -26.910 0.00 0.00 C ATOM 31347 N3 A A1465 127.095 45.415 -28.183 0.00 0.00 N ATOM 31348 C4 A A1465 127.931 44.360 -28.404 0.00 0.00 C ATOM 31349 P C A1466 132.853 46.202 -31.720 0.00 0.00 P ATOM 31350 O1P C A1466 133.650 47.076 -32.610 0.00 0.00 O ATOM 31351 O2P C A1466 133.486 45.058 -31.035 0.00 0.00 O ATOM 31352 O5* C A1466 132.273 47.141 -30.568 0.00 0.00 O ATOM 31353 C5* C A1466 131.671 48.385 -30.834 0.00 0.00 C ATOM 31354 C4* C A1466 131.093 48.930 -29.522 0.00 0.00 C ATOM 31355 O4* C A1466 130.169 48.038 -28.899 0.00 0.00 O ATOM 31356 C3* C A1466 132.188 49.208 -28.497 0.00 0.00 C ATOM 31357 O3* C A1466 132.778 50.473 -28.736 0.00 0.00 O ATOM 31358 C2* C A1466 131.365 49.182 -27.208 0.00 0.00 C ATOM 31359 O2* C A1466 130.724 50.442 -27.000 0.00 0.00 O ATOM 31360 C1* C A1466 130.324 48.087 -27.483 0.00 0.00 C ATOM 31361 N1 C A1466 130.730 46.758 -26.911 0.00 0.00 N ATOM 31362 C2 C A1466 130.299 46.401 -25.618 0.00 0.00 C ATOM 31363 O2 C A1466 129.649 47.179 -24.916 0.00 0.00 O ATOM 31364 N3 C A1466 130.608 45.178 -25.103 0.00 0.00 N ATOM 31365 C4 C A1466 131.326 44.331 -25.834 0.00 0.00 C ATOM 31366 N4 C A1466 131.578 43.139 -25.342 0.00 0.00 N ATOM 31367 C5 C A1466 131.825 44.665 -27.122 0.00 0.00 C ATOM 31368 C6 C A1466 131.508 45.878 -27.627 0.00 0.00 C ATOM 31369 P C A1467 134.265 50.828 -28.274 0.00 0.00 P ATOM 31370 O1P C A1467 134.211 52.305 -28.203 0.00 0.00 O ATOM 31371 O2P C A1467 135.188 50.146 -29.208 0.00 0.00 O ATOM 31372 O5* C A1467 134.420 50.222 -26.794 0.00 0.00 O ATOM 31373 C5* C A1467 133.920 50.893 -25.647 0.00 0.00 C ATOM 31374 C4* C A1467 134.002 50.015 -24.390 0.00 0.00 C ATOM 31375 O4* C A1467 133.325 48.779 -24.567 0.00 0.00 O ATOM 31376 C3* C A1467 135.417 49.657 -23.957 0.00 0.00 C ATOM 31377 O3* C A1467 136.052 50.772 -23.348 0.00 0.00 O ATOM 31378 C2* C A1467 135.108 48.465 -23.038 0.00 0.00 C ATOM 31379 O2* C A1467 134.567 48.852 -21.779 0.00 0.00 O ATOM 31380 C1* C A1467 133.980 47.772 -23.816 0.00 0.00 C ATOM 31381 N1 C A1467 134.463 46.661 -24.691 0.00 0.00 N ATOM 31382 C2 C A1467 134.494 45.372 -24.144 0.00 0.00 C ATOM 31383 O2 C A1467 134.153 45.201 -22.971 0.00 0.00 O ATOM 31384 N3 C A1467 134.894 44.324 -24.918 0.00 0.00 N ATOM 31385 C4 C A1467 135.236 44.527 -26.181 0.00 0.00 C ATOM 31386 N4 C A1467 135.641 43.476 -26.857 0.00 0.00 N ATOM 31387 C5 C A1467 135.211 45.822 -26.784 0.00 0.00 C ATOM 31388 C6 C A1467 134.822 46.862 -26.005 0.00 0.00 C ATOM 31389 P A A1468 137.650 50.959 -23.344 0.00 0.00 P ATOM 31390 O1P A A1468 137.940 52.383 -23.608 0.00 0.00 O ATOM 31391 O2P A A1468 138.272 49.895 -24.172 0.00 0.00 O ATOM 31392 O5* A A1468 138.058 50.670 -21.823 0.00 0.00 O ATOM 31393 C5* A A1468 137.701 51.541 -20.768 0.00 0.00 C ATOM 31394 C4* A A1468 138.111 50.930 -19.428 0.00 0.00 C ATOM 31395 O4* A A1468 137.390 49.719 -19.199 0.00 0.00 O ATOM 31396 C3* A A1468 139.598 50.586 -19.333 0.00 0.00 C ATOM 31397 O3* A A1468 140.439 51.702 -19.054 0.00 0.00 O ATOM 31398 C2* A A1468 139.502 49.585 -18.168 0.00 0.00 C ATOM 31399 O2* A A1468 139.265 50.260 -16.925 0.00 0.00 O ATOM 31400 C1* A A1468 138.260 48.780 -18.586 0.00 0.00 C ATOM 31401 N9 A A1468 138.571 47.670 -19.535 0.00 0.00 N ATOM 31402 C8 A A1468 138.448 47.616 -20.908 0.00 0.00 C ATOM 31403 N7 A A1468 138.747 46.458 -21.440 0.00 0.00 N ATOM 31404 C5 A A1468 139.065 45.670 -20.326 0.00 0.00 C ATOM 31405 C6 A A1468 139.465 44.323 -20.134 0.00 0.00 C ATOM 31406 N6 A A1468 139.702 43.451 -21.099 0.00 0.00 N ATOM 31407 N1 A A1468 139.679 43.842 -18.907 0.00 0.00 N ATOM 31408 C2 A A1468 139.510 44.663 -17.879 0.00 0.00 C ATOM 31409 N3 A A1468 139.164 45.948 -17.900 0.00 0.00 N ATOM 31410 C4 A A1468 138.955 46.399 -19.169 0.00 0.00 C ATOM 31411 P C A1469 141.905 51.902 -19.723 0.00 0.00 P ATOM 31412 O1P C A1469 142.587 53.011 -19.031 0.00 0.00 O ATOM 31413 O2P C A1469 141.756 51.945 -21.205 0.00 0.00 O ATOM 31414 O5* C A1469 142.694 50.539 -19.395 0.00 0.00 O ATOM 31415 C5* C A1469 143.006 50.093 -18.085 0.00 0.00 C ATOM 31416 C4* C A1469 143.344 48.588 -18.114 0.00 0.00 C ATOM 31417 O4* C A1469 142.239 47.805 -18.564 0.00 0.00 O ATOM 31418 C3* C A1469 144.522 48.225 -19.014 0.00 0.00 C ATOM 31419 O3* C A1469 145.770 48.473 -18.378 0.00 0.00 O ATOM 31420 C2* C A1469 144.198 46.746 -19.287 0.00 0.00 C ATOM 31421 O2* C A1469 144.459 45.881 -18.189 0.00 0.00 O ATOM 31422 C1* C A1469 142.678 46.795 -19.459 0.00 0.00 C ATOM 31423 N1 C A1469 142.274 47.066 -20.873 0.00 0.00 N ATOM 31424 C2 C A1469 142.428 46.035 -21.806 0.00 0.00 C ATOM 31425 O2 C A1469 142.799 44.916 -21.455 0.00 0.00 O ATOM 31426 N3 C A1469 142.167 46.278 -23.114 0.00 0.00 N ATOM 31427 C4 C A1469 141.699 47.454 -23.484 0.00 0.00 C ATOM 31428 N4 C A1469 141.535 47.591 -24.773 0.00 0.00 N ATOM 31429 C5 C A1469 141.422 48.508 -22.567 0.00 0.00 C ATOM 31430 C6 C A1469 141.730 48.268 -21.267 0.00 0.00 C ATOM 31431 P U A1470 147.123 48.670 -19.226 0.00 0.00 P ATOM 31432 O1P U A1470 148.226 49.016 -18.302 0.00 0.00 O ATOM 31433 O2P U A1470 146.830 49.540 -20.386 0.00 0.00 O ATOM 31434 O5* U A1470 147.411 47.211 -19.811 0.00 0.00 O ATOM 31435 C5* U A1470 147.771 46.123 -18.992 0.00 0.00 C ATOM 31436 C4* U A1470 147.846 44.858 -19.854 0.00 0.00 C ATOM 31437 O4* U A1470 146.577 44.513 -20.412 0.00 0.00 O ATOM 31438 C3* U A1470 148.788 44.985 -21.050 0.00 0.00 C ATOM 31439 O3* U A1470 150.168 44.956 -20.724 0.00 0.00 O ATOM 31440 C2* U A1470 148.289 43.790 -21.866 0.00 0.00 C ATOM 31441 O2* U A1470 148.635 42.537 -21.284 0.00 0.00 O ATOM 31442 C1* U A1470 146.775 43.998 -21.731 0.00 0.00 C ATOM 31443 N1 U A1470 146.254 44.914 -22.798 0.00 0.00 N ATOM 31444 C2 U A1470 146.091 44.387 -24.085 0.00 0.00 C ATOM 31445 O2 U A1470 146.398 43.236 -24.386 0.00 0.00 O ATOM 31446 N3 U A1470 145.583 45.238 -25.048 0.00 0.00 N ATOM 31447 C4 U A1470 145.217 46.551 -24.872 0.00 0.00 C ATOM 31448 O4 U A1470 144.793 47.196 -25.829 0.00 0.00 O ATOM 31449 C5 U A1470 145.445 47.043 -23.529 0.00 0.00 C ATOM 31450 C6 U A1470 145.953 46.240 -22.555 0.00 0.00 C ATOM 31451 P U A1471 151.264 45.510 -21.768 0.00 0.00 P ATOM 31452 O1P U A1471 152.592 45.423 -21.117 0.00 0.00 O ATOM 31453 O2P U A1471 150.788 46.820 -22.282 0.00 0.00 O ATOM 31454 O5* U A1471 151.177 44.490 -23.013 0.00 0.00 O ATOM 31455 C5* U A1471 151.541 43.121 -22.924 0.00 0.00 C ATOM 31456 C4* U A1471 151.296 42.400 -24.263 0.00 0.00 C ATOM 31457 O4* U A1471 149.955 42.517 -24.739 0.00 0.00 O ATOM 31458 C3* U A1471 152.188 42.935 -25.374 0.00 0.00 C ATOM 31459 O3* U A1471 153.503 42.421 -25.275 0.00 0.00 O ATOM 31460 C2* U A1471 151.418 42.472 -26.612 0.00 0.00 C ATOM 31461 O2* U A1471 151.559 41.082 -26.882 0.00 0.00 O ATOM 31462 C1* U A1471 149.972 42.712 -26.159 0.00 0.00 C ATOM 31463 N1 U A1471 149.458 44.062 -26.556 0.00 0.00 N ATOM 31464 C2 U A1471 149.154 44.279 -27.908 0.00 0.00 C ATOM 31465 O2 U A1471 149.391 43.463 -28.794 0.00 0.00 O ATOM 31466 N3 U A1471 148.544 45.477 -28.227 0.00 0.00 N ATOM 31467 C4 U A1471 148.177 46.466 -27.345 0.00 0.00 C ATOM 31468 O4 U A1471 147.590 47.462 -27.753 0.00 0.00 O ATOM 31469 C5 U A1471 148.542 46.193 -25.968 0.00 0.00 C ATOM 31470 C6 U A1471 149.165 45.033 -25.618 0.00 0.00 C ATOM 31471 P U A1472 154.750 43.248 -25.842 0.00 0.00 P ATOM 31472 O1P U A1472 155.986 42.517 -25.498 0.00 0.00 O ATOM 31473 O2P U A1472 154.568 44.657 -25.431 0.00 0.00 O ATOM 31474 O5* U A1472 154.520 43.173 -27.424 0.00 0.00 O ATOM 31475 C5* U A1472 154.790 42.011 -28.183 0.00 0.00 C ATOM 31476 C4* U A1472 154.479 42.294 -29.658 0.00 0.00 C ATOM 31477 O4* U A1472 153.095 42.593 -29.834 0.00 0.00 O ATOM 31478 C3* U A1472 155.245 43.492 -30.218 0.00 0.00 C ATOM 31479 O3* U A1472 156.588 43.198 -30.557 0.00 0.00 O ATOM 31480 C2* U A1472 154.362 43.840 -31.418 0.00 0.00 C ATOM 31481 O2* U A1472 154.523 42.964 -32.525 0.00 0.00 O ATOM 31482 C1* U A1472 152.966 43.589 -30.846 0.00 0.00 C ATOM 31483 N1 U A1472 152.350 44.849 -30.336 0.00 0.00 N ATOM 31484 C2 U A1472 151.614 45.612 -31.246 0.00 0.00 C ATOM 31485 O2 U A1472 151.491 45.314 -32.432 0.00 0.00 O ATOM 31486 N3 U A1472 151.001 46.745 -30.756 0.00 0.00 N ATOM 31487 C4 U A1472 151.066 47.213 -29.465 0.00 0.00 C ATOM 31488 O4 U A1472 150.445 48.224 -29.155 0.00 0.00 O ATOM 31489 C5 U A1472 151.877 46.396 -28.583 0.00 0.00 C ATOM 31490 C6 U A1472 152.491 45.268 -29.029 0.00 0.00 C ATOM 31491 P G A1473 157.678 44.373 -30.665 0.00 0.00 P ATOM 31492 O1P G A1473 158.983 43.766 -30.998 0.00 0.00 O ATOM 31493 O2P G A1473 157.534 45.241 -29.479 0.00 0.00 O ATOM 31494 O5* G A1473 157.163 45.203 -31.936 0.00 0.00 O ATOM 31495 C5* G A1473 157.418 44.760 -33.253 0.00 0.00 C ATOM 31496 C4* G A1473 156.815 45.749 -34.248 0.00 0.00 C ATOM 31497 O4* G A1473 155.406 45.835 -34.060 0.00 0.00 O ATOM 31498 C3* G A1473 157.363 47.167 -34.094 0.00 0.00 C ATOM 31499 O3* G A1473 158.653 47.341 -34.658 0.00 0.00 O ATOM 31500 C2* G A1473 156.249 47.945 -34.793 0.00 0.00 C ATOM 31501 O2* G A1473 156.257 47.839 -36.210 0.00 0.00 O ATOM 31502 C1* G A1473 155.022 47.181 -34.294 0.00 0.00 C ATOM 31503 N9 G A1473 154.457 47.824 -33.085 0.00 0.00 N ATOM 31504 C8 G A1473 154.646 47.589 -31.745 0.00 0.00 C ATOM 31505 N7 G A1473 153.908 48.340 -30.967 0.00 0.00 N ATOM 31506 C5 G A1473 153.215 49.177 -31.851 0.00 0.00 C ATOM 31507 C6 G A1473 152.274 50.256 -31.657 0.00 0.00 C ATOM 31508 O6 G A1473 151.779 50.717 -30.630 0.00 0.00 O ATOM 31509 N1 G A1473 151.893 50.861 -32.848 0.00 0.00 N ATOM 31510 C2 G A1473 152.334 50.461 -34.079 0.00 0.00 C ATOM 31511 N2 G A1473 151.956 51.120 -35.144 0.00 0.00 N ATOM 31512 N3 G A1473 153.181 49.469 -34.294 0.00 0.00 N ATOM 31513 C4 G A1473 153.582 48.868 -33.143 0.00 0.00 C ATOM 31514 P U A1474 159.615 48.532 -34.162 0.00 0.00 P ATOM 31515 O1P U A1474 160.943 48.348 -34.783 0.00 0.00 O ATOM 31516 O2P U A1474 159.481 48.654 -32.697 0.00 0.00 O ATOM 31517 O5* U A1474 158.925 49.826 -34.812 0.00 0.00 O ATOM 31518 C5* U A1474 159.056 50.131 -36.185 0.00 0.00 C ATOM 31519 C4* U A1474 158.179 51.336 -36.541 0.00 0.00 C ATOM 31520 O4* U A1474 156.808 51.068 -36.233 0.00 0.00 O ATOM 31521 C3* U A1474 158.537 52.624 -35.796 0.00 0.00 C ATOM 31522 O3* U A1474 159.666 53.318 -36.299 0.00 0.00 O ATOM 31523 C2* U A1474 157.227 53.393 -35.990 0.00 0.00 C ATOM 31524 O2* U A1474 157.044 53.900 -37.305 0.00 0.00 O ATOM 31525 C1* U A1474 156.194 52.284 -35.807 0.00 0.00 C ATOM 31526 N1 U A1474 155.722 52.241 -34.395 0.00 0.00 N ATOM 31527 C2 U A1474 154.650 53.072 -34.049 0.00 0.00 C ATOM 31528 O2 U A1474 154.132 53.894 -34.798 0.00 0.00 O ATOM 31529 N3 U A1474 154.171 52.976 -32.766 0.00 0.00 N ATOM 31530 C4 U A1474 154.783 52.295 -31.744 0.00 0.00 C ATOM 31531 O4 U A1474 154.352 52.450 -30.616 0.00 0.00 O ATOM 31532 C5 U A1474 155.893 51.463 -32.151 0.00 0.00 C ATOM 31533 C6 U A1474 156.328 51.455 -33.436 0.00 0.00 C ATOM 31534 P G A1475 160.415 54.425 -35.400 0.00 0.00 P ATOM 31535 O1P G A1475 161.569 54.943 -36.165 0.00 0.00 O ATOM 31536 O2P G A1475 160.608 53.855 -34.052 0.00 0.00 O ATOM 31537 O5* G A1475 159.326 55.601 -35.274 0.00 0.00 O ATOM 31538 C5* G A1475 159.060 56.480 -36.352 0.00 0.00 C ATOM 31539 C4* G A1475 157.984 57.490 -35.947 0.00 0.00 C ATOM 31540 O4* G A1475 156.812 56.809 -35.502 0.00 0.00 O ATOM 31541 C3* G A1475 158.437 58.419 -34.816 0.00 0.00 C ATOM 31542 O3* G A1475 159.289 59.487 -35.253 0.00 0.00 O ATOM 31543 C2* G A1475 157.062 58.836 -34.269 0.00 0.00 C ATOM 31544 O2* G A1475 156.418 59.870 -34.997 0.00 0.00 O ATOM 31545 C1* G A1475 156.220 57.571 -34.460 0.00 0.00 C ATOM 31546 N9 G A1475 156.128 56.821 -33.186 0.00 0.00 N ATOM 31547 C8 G A1475 156.815 55.715 -32.753 0.00 0.00 C ATOM 31548 N7 G A1475 156.474 55.313 -31.558 0.00 0.00 N ATOM 31549 C5 G A1475 155.529 56.254 -31.137 0.00 0.00 C ATOM 31550 C6 G A1475 154.814 56.420 -29.897 0.00 0.00 C ATOM 31551 O6 G A1475 154.831 55.758 -28.861 0.00 0.00 O ATOM 31552 N1 G A1475 153.975 57.518 -29.899 0.00 0.00 N ATOM 31553 C2 G A1475 153.826 58.365 -30.951 0.00 0.00 C ATOM 31554 N2 G A1475 153.022 59.387 -30.765 0.00 0.00 N ATOM 31555 N3 G A1475 154.470 58.254 -32.111 0.00 0.00 N ATOM 31556 C4 G A1475 155.312 57.176 -32.140 0.00 0.00 C ATOM 31557 P A A1476 160.232 60.305 -34.216 0.00 0.00 P ATOM 31558 O1P A A1476 161.064 61.330 -34.892 0.00 0.00 O ATOM 31559 O2P A A1476 160.927 59.381 -33.304 0.00 0.00 O ATOM 31560 O5* A A1476 159.155 61.101 -33.340 0.00 0.00 O ATOM 31561 C5* A A1476 158.474 62.215 -33.876 0.00 0.00 C ATOM 31562 C4* A A1476 157.468 62.771 -32.869 0.00 0.00 C ATOM 31563 O4* A A1476 156.459 61.815 -32.520 0.00 0.00 O ATOM 31564 C3* A A1476 158.111 63.263 -31.573 0.00 0.00 C ATOM 31565 O3* A A1476 158.613 64.589 -31.696 0.00 0.00 O ATOM 31566 C2* A A1476 156.899 63.164 -30.642 0.00 0.00 C ATOM 31567 O2* A A1476 155.950 64.211 -30.823 0.00 0.00 O ATOM 31568 C1* A A1476 156.213 61.887 -31.113 0.00 0.00 C ATOM 31569 N9 A A1476 156.680 60.702 -30.348 0.00 0.00 N ATOM 31570 C8 A A1476 157.570 59.719 -30.705 0.00 0.00 C ATOM 31571 N7 A A1476 157.628 58.722 -29.864 0.00 0.00 N ATOM 31572 C5 A A1476 156.772 59.110 -28.829 0.00 0.00 C ATOM 31573 C6 A A1476 156.390 58.550 -27.585 0.00 0.00 C ATOM 31574 N6 A A1476 156.762 57.363 -27.141 0.00 0.00 N ATOM 31575 N1 A A1476 155.596 59.218 -26.739 0.00 0.00 N ATOM 31576 C2 A A1476 155.137 60.398 -27.144 0.00 0.00 C ATOM 31577 N3 A A1476 155.369 61.029 -28.294 0.00 0.00 N ATOM 31578 C4 A A1476 156.219 60.332 -29.101 0.00 0.00 C ATOM 31579 P U A1477 159.830 65.127 -30.786 0.00 0.00 P ATOM 31580 O1P U A1477 159.979 66.591 -31.066 0.00 0.00 O ATOM 31581 O2P U A1477 160.974 64.205 -30.979 0.00 0.00 O ATOM 31582 O5* U A1477 159.246 64.928 -29.287 0.00 0.00 O ATOM 31583 C5* U A1477 158.299 65.832 -28.742 0.00 0.00 C ATOM 31584 C4* U A1477 157.756 65.421 -27.358 0.00 0.00 C ATOM 31585 O4* U A1477 157.151 64.130 -27.341 0.00 0.00 O ATOM 31586 C3* U A1477 158.799 65.441 -26.246 0.00 0.00 C ATOM 31587 O3* U A1477 159.045 66.779 -25.819 0.00 0.00 O ATOM 31588 C2* U A1477 158.099 64.555 -25.205 0.00 0.00 C ATOM 31589 O2* U A1477 157.082 65.246 -24.491 0.00 0.00 O ATOM 31590 C1* U A1477 157.374 63.515 -26.065 0.00 0.00 C ATOM 31591 N1 U A1477 158.136 62.232 -26.187 0.00 0.00 N ATOM 31592 C2 U A1477 157.999 61.239 -25.194 0.00 0.00 C ATOM 31593 O2 U A1477 157.398 61.402 -24.128 0.00 0.00 O ATOM 31594 N3 U A1477 158.606 60.014 -25.443 0.00 0.00 N ATOM 31595 C4 U A1477 159.374 59.714 -26.546 0.00 0.00 C ATOM 31596 O4 U A1477 159.847 58.595 -26.667 0.00 0.00 O ATOM 31597 C5 U A1477 159.530 60.802 -27.485 0.00 0.00 C ATOM 31598 C6 U A1477 158.929 62.001 -27.291 0.00 0.00 C ATOM 31599 P U A1478 160.375 67.175 -25.007 0.00 0.00 P ATOM 31600 O1P U A1478 160.391 68.656 -25.071 0.00 0.00 O ATOM 31601 O2P U A1478 161.491 66.385 -25.555 0.00 0.00 O ATOM 31602 O5* U A1478 160.071 66.717 -23.491 0.00 0.00 O ATOM 31603 C5* U A1478 159.303 67.522 -22.608 0.00 0.00 C ATOM 31604 C4* U A1478 159.000 66.810 -21.279 0.00 0.00 C ATOM 31605 O4* U A1478 158.407 65.537 -21.539 0.00 0.00 O ATOM 31606 C3* U A1478 160.207 66.570 -20.364 0.00 0.00 C ATOM 31607 O3* U A1478 160.569 67.695 -19.565 0.00 0.00 O ATOM 31608 C2* U A1478 159.694 65.380 -19.537 0.00 0.00 C ATOM 31609 O2* U A1478 158.831 65.704 -18.455 0.00 0.00 O ATOM 31610 C1* U A1478 158.831 64.616 -20.536 0.00 0.00 C ATOM 31611 N1 U A1478 159.575 63.452 -21.089 0.00 0.00 N ATOM 31612 C2 U A1478 159.594 62.266 -20.341 0.00 0.00 C ATOM 31613 O2 U A1478 159.137 62.156 -19.204 0.00 0.00 O ATOM 31614 N3 U A1478 160.160 61.158 -20.937 0.00 0.00 N ATOM 31615 C4 U A1478 160.780 61.144 -22.165 0.00 0.00 C ATOM 31616 O4 U A1478 161.250 60.098 -22.574 0.00 0.00 O ATOM 31617 C5 U A1478 160.787 62.415 -22.855 0.00 0.00 C ATOM 31618 C6 U A1478 160.204 63.514 -22.312 0.00 0.00 C ATOM 31619 P C A1479 162.014 67.785 -18.845 0.00 0.00 P ATOM 31620 O1P C A1479 162.125 69.076 -18.124 0.00 0.00 O ATOM 31621 O2P C A1479 163.037 67.405 -19.842 0.00 0.00 O ATOM 31622 O5* C A1479 161.968 66.617 -17.732 0.00 0.00 O ATOM 31623 C5* C A1479 161.256 66.738 -16.517 0.00 0.00 C ATOM 31624 C4* C A1479 161.378 65.446 -15.685 0.00 0.00 C ATOM 31625 O4* C A1479 160.942 64.273 -16.391 0.00 0.00 O ATOM 31626 C3* C A1479 162.804 65.175 -15.201 0.00 0.00 C ATOM 31627 O3* C A1479 163.143 65.907 -14.023 0.00 0.00 O ATOM 31628 C2* C A1479 162.729 63.663 -14.962 0.00 0.00 C ATOM 31629 O2* C A1479 162.075 63.324 -13.742 0.00 0.00 O ATOM 31630 C1* C A1479 161.832 63.181 -16.105 0.00 0.00 C ATOM 31631 N1 C A1479 162.610 62.705 -17.299 0.00 0.00 N ATOM 31632 C2 C A1479 163.079 61.375 -17.334 0.00 0.00 C ATOM 31633 O2 C A1479 162.991 60.643 -16.344 0.00 0.00 O ATOM 31634 N3 C A1479 163.635 60.869 -18.474 0.00 0.00 N ATOM 31635 C4 C A1479 163.786 61.667 -19.526 0.00 0.00 C ATOM 31636 N4 C A1479 164.303 61.142 -20.615 0.00 0.00 N ATOM 31637 C5 C A1479 163.371 63.031 -19.524 0.00 0.00 C ATOM 31638 C6 C A1479 162.808 63.515 -18.392 0.00 0.00 C ATOM 31639 P A A1480 164.677 66.227 -13.667 0.00 0.00 P ATOM 31640 O1P A A1480 164.568 66.908 -12.355 0.00 0.00 O ATOM 31641 O2P A A1480 165.244 66.963 -14.811 0.00 0.00 O ATOM 31642 O5* A A1480 165.338 64.760 -13.461 0.00 0.00 O ATOM 31643 C5* A A1480 165.140 64.046 -12.246 0.00 0.00 C ATOM 31644 C4* A A1480 165.804 62.664 -12.195 0.00 0.00 C ATOM 31645 O4* A A1480 165.333 61.778 -13.202 0.00 0.00 O ATOM 31646 C3* A A1480 167.326 62.708 -12.285 0.00 0.00 C ATOM 31647 O3* A A1480 167.931 62.976 -11.026 0.00 0.00 O ATOM 31648 C2* A A1480 167.612 61.279 -12.740 0.00 0.00 C ATOM 31649 O2* A A1480 167.651 60.355 -11.653 0.00 0.00 O ATOM 31650 C1* A A1480 166.408 60.940 -13.619 0.00 0.00 C ATOM 31651 N9 A A1480 166.696 61.136 -15.057 0.00 0.00 N ATOM 31652 C8 A A1480 166.311 62.165 -15.880 0.00 0.00 C ATOM 31653 N7 A A1480 166.588 61.975 -17.140 0.00 0.00 N ATOM 31654 C5 A A1480 167.251 60.744 -17.144 0.00 0.00 C ATOM 31655 C6 A A1480 167.847 59.943 -18.146 0.00 0.00 C ATOM 31656 N6 A A1480 167.863 60.255 -19.429 0.00 0.00 N ATOM 31657 N1 A A1480 168.461 58.794 -17.826 0.00 0.00 N ATOM 31658 C2 A A1480 168.471 58.435 -16.550 0.00 0.00 C ATOM 31659 N3 A A1480 167.953 59.072 -15.503 0.00 0.00 N ATOM 31660 C4 A A1480 167.347 60.239 -15.874 0.00 0.00 C ATOM 31661 P U A1481 169.424 63.583 -10.958 0.00 0.00 P ATOM 31662 O1P U A1481 169.778 63.583 -9.516 0.00 0.00 O ATOM 31663 O2P U A1481 169.449 64.849 -11.712 0.00 0.00 O ATOM 31664 O5* U A1481 170.338 62.482 -11.700 0.00 0.00 O ATOM 31665 C5* U A1481 170.795 61.335 -11.007 0.00 0.00 C ATOM 31666 C4* U A1481 171.541 60.352 -11.918 0.00 0.00 C ATOM 31667 O4* U A1481 170.741 59.893 -13.009 0.00 0.00 O ATOM 31668 C3* U A1481 172.818 60.927 -12.511 0.00 0.00 C ATOM 31669 O3* U A1481 173.886 60.949 -11.571 0.00 0.00 O ATOM 31670 C2* U A1481 173.011 59.940 -13.671 0.00 0.00 C ATOM 31671 O2* U A1481 173.516 58.668 -13.280 0.00 0.00 O ATOM 31672 C1* U A1481 171.589 59.655 -14.142 0.00 0.00 C ATOM 31673 N1 U A1481 171.245 60.455 -15.357 0.00 0.00 N ATOM 31674 C2 U A1481 171.592 59.954 -16.628 0.00 0.00 C ATOM 31675 O2 U A1481 172.254 58.926 -16.804 0.00 0.00 O ATOM 31676 N3 U A1481 171.151 60.676 -17.728 0.00 0.00 N ATOM 31677 C4 U A1481 170.419 61.842 -17.678 0.00 0.00 C ATOM 31678 O4 U A1481 170.062 62.373 -18.720 0.00 0.00 O ATOM 31679 C5 U A1481 170.152 62.324 -16.341 0.00 0.00 C ATOM 31680 C6 U A1481 170.572 61.649 -15.242 0.00 0.00 C ATOM 31681 P G A1482 175.150 61.907 -11.797 0.00 0.00 P ATOM 31682 O1P G A1482 176.172 61.685 -10.743 0.00 0.00 O ATOM 31683 O2P G A1482 174.697 63.307 -11.924 0.00 0.00 O ATOM 31684 O5* G A1482 175.738 61.511 -13.238 0.00 0.00 O ATOM 31685 C5* G A1482 176.447 60.314 -13.495 0.00 0.00 C ATOM 31686 C4* G A1482 176.644 60.131 -15.014 0.00 0.00 C ATOM 31687 O4* G A1482 175.433 59.977 -15.764 0.00 0.00 O ATOM 31688 C3* G A1482 177.382 61.292 -15.673 0.00 0.00 C ATOM 31689 O3* G A1482 178.753 61.289 -15.324 0.00 0.00 O ATOM 31690 C2* G A1482 177.048 60.996 -17.140 0.00 0.00 C ATOM 31691 O2* G A1482 177.747 59.861 -17.629 0.00 0.00 O ATOM 31692 C1* G A1482 175.570 60.600 -17.049 0.00 0.00 C ATOM 31693 N9 G A1482 174.660 61.773 -17.193 0.00 0.00 N ATOM 31694 C8 G A1482 174.170 62.572 -16.188 0.00 0.00 C ATOM 31695 N7 G A1482 173.375 63.519 -16.590 0.00 0.00 N ATOM 31696 C5 G A1482 173.313 63.350 -17.973 0.00 0.00 C ATOM 31697 C6 G A1482 172.584 64.091 -18.970 0.00 0.00 C ATOM 31698 O6 G A1482 171.843 65.061 -18.843 0.00 0.00 O ATOM 31699 N1 G A1482 172.789 63.638 -20.258 0.00 0.00 N ATOM 31700 C2 G A1482 173.599 62.582 -20.562 0.00 0.00 C ATOM 31701 N2 G A1482 173.681 62.316 -21.852 0.00 0.00 N ATOM 31702 N3 G A1482 174.295 61.857 -19.656 0.00 0.00 N ATOM 31703 C4 G A1482 174.109 62.289 -18.364 0.00 0.00 C ATOM 31704 P A A1483 179.798 62.350 -15.911 0.00 0.00 P ATOM 31705 O1P A A1483 180.749 62.716 -14.838 0.00 0.00 O ATOM 31706 O2P A A1483 179.086 63.441 -16.619 0.00 0.00 O ATOM 31707 O5* A A1483 180.611 61.510 -17.002 0.00 0.00 O ATOM 31708 C5* A A1483 181.410 60.391 -16.639 0.00 0.00 C ATOM 31709 C4* A A1483 181.955 59.689 -17.887 0.00 0.00 C ATOM 31710 O4* A A1483 180.887 59.175 -18.676 0.00 0.00 O ATOM 31711 C3* A A1483 182.758 60.627 -18.780 0.00 0.00 C ATOM 31712 O3* A A1483 184.107 60.769 -18.361 0.00 0.00 O ATOM 31713 C2* A A1483 182.615 59.910 -20.130 0.00 0.00 C ATOM 31714 O2* A A1483 183.495 58.800 -20.267 0.00 0.00 O ATOM 31715 C1* A A1483 181.182 59.380 -20.049 0.00 0.00 C ATOM 31716 N9 A A1483 180.220 60.334 -20.653 0.00 0.00 N ATOM 31717 C8 A A1483 179.420 61.279 -20.053 0.00 0.00 C ATOM 31718 N7 A A1483 178.673 61.966 -20.879 0.00 0.00 N ATOM 31719 C5 A A1483 179.037 61.449 -22.131 0.00 0.00 C ATOM 31720 C6 A A1483 178.701 61.752 -23.474 0.00 0.00 C ATOM 31721 N6 A A1483 177.877 62.713 -23.846 0.00 0.00 N ATOM 31722 N1 A A1483 179.258 61.089 -24.491 0.00 0.00 N ATOM 31723 C2 A A1483 180.129 60.130 -24.197 0.00 0.00 C ATOM 31724 N3 A A1483 180.555 59.743 -22.999 0.00 0.00 N ATOM 31725 C4 A A1483 179.969 60.454 -21.997 0.00 0.00 C ATOM 31726 P C A1484 184.867 62.176 -18.408 0.00 0.00 P ATOM 31727 O1P C A1484 186.315 61.915 -18.292 0.00 0.00 O ATOM 31728 O2P C A1484 184.288 63.062 -17.368 0.00 0.00 O ATOM 31729 O5* C A1484 184.579 62.790 -19.868 0.00 0.00 O ATOM 31730 C5* C A1484 185.112 62.210 -21.053 0.00 0.00 C ATOM 31731 C4* C A1484 184.408 62.712 -22.333 0.00 0.00 C ATOM 31732 O4* C A1484 183.018 62.386 -22.367 0.00 0.00 O ATOM 31733 C3* C A1484 184.502 64.218 -22.546 0.00 0.00 C ATOM 31734 O3* C A1484 185.729 64.582 -23.157 0.00 0.00 O ATOM 31735 C2* C A1484 183.260 64.478 -23.416 0.00 0.00 C ATOM 31736 O2* C A1484 183.397 64.131 -24.787 0.00 0.00 O ATOM 31737 C1* C A1484 182.250 63.494 -22.831 0.00 0.00 C ATOM 31738 N1 C A1484 181.425 64.115 -21.750 0.00 0.00 N ATOM 31739 C2 C A1484 180.414 65.032 -22.089 0.00 0.00 C ATOM 31740 O2 C A1484 180.206 65.379 -23.257 0.00 0.00 O ATOM 31741 N3 C A1484 179.638 65.582 -21.118 0.00 0.00 N ATOM 31742 C4 C A1484 179.842 65.223 -19.857 0.00 0.00 C ATOM 31743 N4 C A1484 179.046 65.748 -18.961 0.00 0.00 N ATOM 31744 C5 C A1484 180.846 64.296 -19.457 0.00 0.00 C ATOM 31745 C6 C A1484 181.616 63.768 -20.436 0.00 0.00 C ATOM 31746 P U A1485 186.413 66.003 -22.860 0.00 0.00 P ATOM 31747 O1P U A1485 187.687 66.080 -23.605 0.00 0.00 O ATOM 31748 O2P U A1485 186.383 66.228 -21.399 0.00 0.00 O ATOM 31749 O5* U A1485 185.383 67.031 -23.529 0.00 0.00 O ATOM 31750 C5* U A1485 185.262 67.157 -24.930 0.00 0.00 C ATOM 31751 C4* U A1485 184.082 68.078 -25.245 0.00 0.00 C ATOM 31752 O4* U A1485 182.879 67.537 -24.703 0.00 0.00 O ATOM 31753 C3* U A1485 184.237 69.483 -24.663 0.00 0.00 C ATOM 31754 O3* U A1485 185.063 70.338 -25.436 0.00 0.00 O ATOM 31755 C2* U A1485 182.773 69.907 -24.624 0.00 0.00 C ATOM 31756 O2* U A1485 182.216 70.243 -25.892 0.00 0.00 O ATOM 31757 C1* U A1485 182.109 68.604 -24.167 0.00 0.00 C ATOM 31758 N1 U A1485 181.939 68.571 -22.682 0.00 0.00 N ATOM 31759 C2 U A1485 180.956 69.416 -22.178 0.00 0.00 C ATOM 31760 O2 U A1485 180.334 70.200 -22.887 0.00 0.00 O ATOM 31761 N3 U A1485 180.679 69.356 -20.833 0.00 0.00 N ATOM 31762 C4 U A1485 181.252 68.482 -19.939 0.00 0.00 C ATOM 31763 O4 U A1485 180.853 68.482 -18.778 0.00 0.00 O ATOM 31764 C5 U A1485 182.311 67.665 -20.509 0.00 0.00 C ATOM 31765 C6 U A1485 182.638 67.741 -21.829 0.00 0.00 C ATOM 31766 P G A1486 185.610 71.732 -24.844 0.00 0.00 P ATOM 31767 O1P G A1486 186.673 72.204 -25.768 0.00 0.00 O ATOM 31768 O2P G A1486 185.910 71.557 -23.405 0.00 0.00 O ATOM 31769 O5* G A1486 184.346 72.728 -24.951 0.00 0.00 O ATOM 31770 C5* G A1486 183.969 73.310 -26.184 0.00 0.00 C ATOM 31771 C4* G A1486 182.896 74.384 -25.983 0.00 0.00 C ATOM 31772 O4* G A1486 181.688 73.827 -25.467 0.00 0.00 O ATOM 31773 C3* G A1486 183.314 75.510 -25.033 0.00 0.00 C ATOM 31774 O3* G A1486 184.212 76.450 -25.618 0.00 0.00 O ATOM 31775 C2* G A1486 181.919 76.069 -24.749 0.00 0.00 C ATOM 31776 O2* G A1486 181.406 76.856 -25.814 0.00 0.00 O ATOM 31777 C1* G A1486 181.047 74.819 -24.669 0.00 0.00 C ATOM 31778 N9 G A1486 180.915 74.376 -23.260 0.00 0.00 N ATOM 31779 C8 G A1486 181.702 73.491 -22.570 0.00 0.00 C ATOM 31780 N7 G A1486 181.370 73.336 -21.314 0.00 0.00 N ATOM 31781 C5 G A1486 180.253 74.174 -21.160 0.00 0.00 C ATOM 31782 C6 G A1486 179.388 74.433 -20.031 0.00 0.00 C ATOM 31783 O6 G A1486 179.408 73.974 -18.891 0.00 0.00 O ATOM 31784 N1 G A1486 178.368 75.326 -20.311 0.00 0.00 N ATOM 31785 C2 G A1486 178.193 75.920 -21.523 0.00 0.00 C ATOM 31786 N2 G A1486 177.159 76.723 -21.645 0.00 0.00 N ATOM 31787 N3 G A1486 178.968 75.711 -22.590 0.00 0.00 N ATOM 31788 C4 G A1486 179.979 74.820 -22.351 0.00 0.00 C ATOM 31789 P G A1487 185.053 77.507 -24.738 0.00 0.00 P ATOM 31790 O1P G A1487 185.895 78.301 -25.659 0.00 0.00 O ATOM 31791 O2P G A1487 185.714 76.827 -23.603 0.00 0.00 O ATOM 31792 O5* G A1487 183.999 78.508 -24.077 0.00 0.00 O ATOM 31793 C5* G A1487 183.416 79.558 -24.824 0.00 0.00 C ATOM 31794 C4* G A1487 182.128 80.040 -24.157 0.00 0.00 C ATOM 31795 O4* G A1487 181.317 78.910 -23.834 0.00 0.00 O ATOM 31796 C3* G A1487 182.289 80.869 -22.879 0.00 0.00 C ATOM 31797 O3* G A1487 182.610 82.245 -23.105 0.00 0.00 O ATOM 31798 C2* G A1487 180.884 80.619 -22.307 0.00 0.00 C ATOM 31799 O2* G A1487 179.844 81.249 -23.044 0.00 0.00 O ATOM 31800 C1* G A1487 180.680 79.134 -22.582 0.00 0.00 C ATOM 31801 N9 G A1487 181.181 78.295 -21.457 0.00 0.00 N ATOM 31802 C8 G A1487 182.303 77.510 -21.340 0.00 0.00 C ATOM 31803 N7 G A1487 182.426 76.909 -20.184 0.00 0.00 N ATOM 31804 C5 G A1487 181.306 77.336 -19.458 0.00 0.00 C ATOM 31805 C6 G A1487 180.850 77.063 -18.113 0.00 0.00 C ATOM 31806 O6 G A1487 181.322 76.334 -17.239 0.00 0.00 O ATOM 31807 N1 G A1487 179.690 77.746 -17.789 0.00 0.00 N ATOM 31808 C2 G A1487 179.019 78.564 -18.647 0.00 0.00 C ATOM 31809 N2 G A1487 178.009 79.269 -18.190 0.00 0.00 N ATOM 31810 N3 G A1487 179.382 78.800 -19.902 0.00 0.00 N ATOM 31811 C4 G A1487 180.541 78.172 -20.247 0.00 0.00 C ATOM 31812 P G A1488 183.109 83.201 -21.898 0.00 0.00 P ATOM 31813 O1P G A1488 183.234 84.610 -22.340 0.00 0.00 O ATOM 31814 O2P G A1488 184.257 82.566 -21.216 0.00 0.00 O ATOM 31815 O5* G A1488 181.870 83.217 -20.888 0.00 0.00 O ATOM 31816 C5* G A1488 180.640 83.855 -21.223 0.00 0.00 C ATOM 31817 C4* G A1488 179.668 83.694 -20.057 0.00 0.00 C ATOM 31818 O4* G A1488 179.503 82.332 -19.684 0.00 0.00 O ATOM 31819 C3* G A1488 180.201 84.424 -18.835 0.00 0.00 C ATOM 31820 O3* G A1488 180.014 85.826 -18.989 0.00 0.00 O ATOM 31821 C2* G A1488 179.412 83.715 -17.737 0.00 0.00 C ATOM 31822 O2* G A1488 178.062 84.141 -17.647 0.00 0.00 O ATOM 31823 C1* G A1488 179.393 82.280 -18.270 0.00 0.00 C ATOM 31824 N9 G A1488 180.454 81.436 -17.662 0.00 0.00 N ATOM 31825 C8 G A1488 181.668 81.005 -18.136 0.00 0.00 C ATOM 31826 N7 G A1488 182.309 80.207 -17.316 0.00 0.00 N ATOM 31827 C5 G A1488 181.467 80.110 -16.198 0.00 0.00 C ATOM 31828 C6 G A1488 181.559 79.392 -14.943 0.00 0.00 C ATOM 31829 O6 G A1488 182.420 78.618 -14.508 0.00 0.00 O ATOM 31830 N1 G A1488 180.468 79.618 -14.115 0.00 0.00 N ATOM 31831 C2 G A1488 179.380 80.367 -14.476 0.00 0.00 C ATOM 31832 N2 G A1488 178.392 80.521 -13.633 0.00 0.00 N ATOM 31833 N3 G A1488 179.235 80.990 -15.636 0.00 0.00 N ATOM 31834 C4 G A1488 180.326 80.849 -16.436 0.00 0.00 C ATOM 31835 P G A1489 180.970 86.877 -18.270 0.00 0.00 P ATOM 31836 O1P G A1489 180.670 88.219 -18.816 0.00 0.00 O ATOM 31837 O2P G A1489 182.349 86.352 -18.414 0.00 0.00 O ATOM 31838 O5* G A1489 180.440 86.807 -16.754 0.00 0.00 O ATOM 31839 C5* G A1489 179.119 87.244 -16.459 0.00 0.00 C ATOM 31840 C4* G A1489 178.625 86.871 -15.061 0.00 0.00 C ATOM 31841 O4* G A1489 178.512 85.457 -14.926 0.00 0.00 O ATOM 31842 C3* G A1489 179.503 87.379 -13.923 0.00 0.00 C ATOM 31843 O3* G A1489 179.277 88.748 -13.612 0.00 0.00 O ATOM 31844 C2* G A1489 179.076 86.402 -12.822 0.00 0.00 C ATOM 31845 O2* G A1489 177.798 86.692 -12.259 0.00 0.00 O ATOM 31846 C1* G A1489 178.932 85.102 -13.612 0.00 0.00 C ATOM 31847 N9 G A1489 180.199 84.331 -13.669 0.00 0.00 N ATOM 31848 C8 G A1489 181.162 84.305 -14.645 0.00 0.00 C ATOM 31849 N7 G A1489 182.072 83.387 -14.476 0.00 0.00 N ATOM 31850 C5 G A1489 181.742 82.805 -13.251 0.00 0.00 C ATOM 31851 C6 G A1489 182.388 81.776 -12.476 0.00 0.00 C ATOM 31852 O6 G A1489 183.382 81.097 -12.735 0.00 0.00 O ATOM 31853 N1 G A1489 181.777 81.565 -11.251 0.00 0.00 N ATOM 31854 C2 G A1489 180.658 82.228 -10.831 0.00 0.00 C ATOM 31855 N2 G A1489 180.252 82.005 -9.603 0.00 0.00 N ATOM 31856 N3 G A1489 180.012 83.153 -11.538 0.00 0.00 N ATOM 31857 C4 G A1489 180.610 83.407 -12.739 0.00 0.00 C ATOM 31858 P U A1490 180.454 89.645 -12.973 0.00 0.00 P ATOM 31859 O1P U A1490 179.970 91.038 -12.811 0.00 0.00 O ATOM 31860 O2P U A1490 181.672 89.408 -13.775 0.00 0.00 O ATOM 31861 O5* U A1490 180.677 88.966 -11.525 0.00 0.00 O ATOM 31862 C5* U A1490 179.716 89.020 -10.485 0.00 0.00 C ATOM 31863 C4* U A1490 180.128 88.112 -9.312 0.00 0.00 C ATOM 31864 O4* U A1490 180.162 86.735 -9.694 0.00 0.00 O ATOM 31865 C3* U A1490 181.514 88.432 -8.742 0.00 0.00 C ATOM 31866 O3* U A1490 181.539 89.581 -7.895 0.00 0.00 O ATOM 31867 C2* U A1490 181.806 87.104 -8.028 0.00 0.00 C ATOM 31868 O2* U A1490 181.108 86.986 -6.789 0.00 0.00 O ATOM 31869 C1* U A1490 181.235 86.078 -9.020 0.00 0.00 C ATOM 31870 N1 U A1490 182.281 85.553 -9.961 0.00 0.00 N ATOM 31871 C2 U A1490 183.008 84.416 -9.576 0.00 0.00 C ATOM 31872 O2 U A1490 182.839 83.846 -8.500 0.00 0.00 O ATOM 31873 N3 U A1490 183.960 83.939 -10.464 0.00 0.00 N ATOM 31874 C4 U A1490 184.274 84.488 -11.687 0.00 0.00 C ATOM 31875 O4 U A1490 185.150 83.973 -12.377 0.00 0.00 O ATOM 31876 C5 U A1490 183.490 85.661 -12.018 0.00 0.00 C ATOM 31877 C6 U A1490 182.545 86.156 -11.174 0.00 0.00 C ATOM 31878 P G A1491 182.901 90.407 -7.638 0.00 0.00 P ATOM 31879 O1P G A1491 182.595 91.435 -6.613 0.00 0.00 O ATOM 31880 O2P G A1491 183.470 90.863 -8.923 0.00 0.00 O ATOM 31881 O5* G A1491 183.854 89.293 -6.972 0.00 0.00 O ATOM 31882 C5* G A1491 183.666 88.848 -5.635 0.00 0.00 C ATOM 31883 C4* G A1491 184.731 87.838 -5.218 0.00 0.00 C ATOM 31884 O4* G A1491 184.700 86.677 -6.030 0.00 0.00 O ATOM 31885 C3* G A1491 186.133 88.426 -5.292 0.00 0.00 C ATOM 31886 O3* G A1491 186.348 89.239 -4.152 0.00 0.00 O ATOM 31887 C2* G A1491 186.953 87.135 -5.348 0.00 0.00 C ATOM 31888 O2* G A1491 187.127 86.521 -4.074 0.00 0.00 O ATOM 31889 C1* G A1491 186.036 86.234 -6.193 0.00 0.00 C ATOM 31890 N9 G A1491 186.403 86.252 -7.628 0.00 0.00 N ATOM 31891 C8 G A1491 185.868 86.946 -8.684 0.00 0.00 C ATOM 31892 N7 G A1491 186.405 86.652 -9.841 0.00 0.00 N ATOM 31893 C5 G A1491 187.376 85.690 -9.536 0.00 0.00 C ATOM 31894 C6 G A1491 188.329 84.962 -10.347 0.00 0.00 C ATOM 31895 O6 G A1491 188.547 85.007 -11.557 0.00 0.00 O ATOM 31896 N1 G A1491 189.130 84.100 -9.609 0.00 0.00 N ATOM 31897 C2 G A1491 189.036 83.978 -8.254 0.00 0.00 C ATOM 31898 N2 G A1491 189.891 83.209 -7.643 0.00 0.00 N ATOM 31899 N3 G A1491 188.198 84.645 -7.471 0.00 0.00 N ATOM 31900 C4 G A1491 187.383 85.472 -8.176 0.00 0.00 C ATOM 31901 P A A1492 187.135 90.635 -4.193 0.00 0.00 P ATOM 31902 O1P A A1492 186.511 91.488 -3.158 0.00 0.00 O ATOM 31903 O2P A A1492 187.211 91.121 -5.589 0.00 0.00 O ATOM 31904 O5* A A1492 188.634 90.276 -3.710 0.00 0.00 O ATOM 31905 C5* A A1492 189.664 90.015 -4.641 0.00 0.00 C ATOM 31906 C4* A A1492 190.943 89.621 -3.901 0.00 0.00 C ATOM 31907 O4* A A1492 190.888 88.294 -3.408 0.00 0.00 O ATOM 31908 C3* A A1492 192.162 89.708 -4.819 0.00 0.00 C ATOM 31909 O3* A A1492 192.592 91.058 -4.868 0.00 0.00 O ATOM 31910 C2* A A1492 193.117 88.748 -4.098 0.00 0.00 C ATOM 31911 O2* A A1492 193.774 89.354 -2.994 0.00 0.00 O ATOM 31912 C1* A A1492 192.168 87.694 -3.521 0.00 0.00 C ATOM 31913 N9 A A1492 192.025 86.468 -4.344 0.00 0.00 N ATOM 31914 C8 A A1492 190.914 86.040 -5.032 0.00 0.00 C ATOM 31915 N7 A A1492 190.982 84.807 -5.460 0.00 0.00 N ATOM 31916 C5 A A1492 192.274 84.416 -5.104 0.00 0.00 C ATOM 31917 C6 A A1492 193.039 83.233 -5.266 0.00 0.00 C ATOM 31918 N6 A A1492 192.691 82.108 -5.862 0.00 0.00 N ATOM 31919 N1 A A1492 194.257 83.133 -4.748 0.00 0.00 N ATOM 31920 C2 A A1492 194.747 84.180 -4.107 0.00 0.00 C ATOM 31921 N3 A A1492 194.157 85.343 -3.840 0.00 0.00 N ATOM 31922 C4 A A1492 192.910 85.411 -4.400 0.00 0.00 C ATOM 31923 P A A1493 193.476 91.672 -6.056 0.00 0.00 P ATOM 31924 O1P A A1493 193.764 93.050 -5.595 0.00 0.00 O ATOM 31925 O2P A A1493 192.762 91.453 -7.335 0.00 0.00 O ATOM 31926 O5* A A1493 194.818 90.804 -6.030 0.00 0.00 O ATOM 31927 C5* A A1493 195.833 91.057 -5.080 0.00 0.00 C ATOM 31928 C4* A A1493 196.928 89.992 -5.134 0.00 0.00 C ATOM 31929 O4* A A1493 196.430 88.714 -4.731 0.00 0.00 O ATOM 31930 C3* A A1493 197.576 89.826 -6.514 0.00 0.00 C ATOM 31931 O3* A A1493 198.504 90.863 -6.842 0.00 0.00 O ATOM 31932 C2* A A1493 198.193 88.438 -6.271 0.00 0.00 C ATOM 31933 O2* A A1493 199.347 88.436 -5.416 0.00 0.00 O ATOM 31934 C1* A A1493 197.066 87.719 -5.530 0.00 0.00 C ATOM 31935 N9 A A1493 196.107 87.095 -6.481 0.00 0.00 N ATOM 31936 C8 A A1493 194.910 87.580 -6.950 0.00 0.00 C ATOM 31937 N7 A A1493 194.245 86.750 -7.704 0.00 0.00 N ATOM 31938 C5 A A1493 195.104 85.654 -7.808 0.00 0.00 C ATOM 31939 C6 A A1493 195.056 84.422 -8.504 0.00 0.00 C ATOM 31940 N6 A A1493 194.051 84.014 -9.262 0.00 0.00 N ATOM 31941 N1 A A1493 196.079 83.567 -8.437 0.00 0.00 N ATOM 31942 C2 A A1493 197.129 83.908 -7.696 0.00 0.00 C ATOM 31943 N3 A A1493 197.309 85.013 -6.972 0.00 0.00 N ATOM 31944 C4 A A1493 196.248 85.861 -7.079 0.00 0.00 C ATOM 31945 P G A1494 198.980 91.191 -8.368 0.00 0.00 P ATOM 31946 O1P G A1494 200.258 91.948 -8.280 0.00 0.00 O ATOM 31947 O2P G A1494 197.863 91.791 -9.146 0.00 0.00 O ATOM 31948 O5* G A1494 199.255 89.742 -9.021 0.00 0.00 O ATOM 31949 C5* G A1494 200.376 88.937 -8.690 0.00 0.00 C ATOM 31950 C4* G A1494 200.364 87.641 -9.517 0.00 0.00 C ATOM 31951 O4* G A1494 199.103 86.983 -9.593 0.00 0.00 O ATOM 31952 C3* G A1494 200.739 87.931 -10.954 0.00 0.00 C ATOM 31953 O3* G A1494 202.110 88.271 -11.056 0.00 0.00 O ATOM 31954 C2* G A1494 200.325 86.618 -11.615 0.00 0.00 C ATOM 31955 O2* G A1494 201.234 85.554 -11.366 0.00 0.00 O ATOM 31956 C1* G A1494 199.017 86.329 -10.862 0.00 0.00 C ATOM 31957 N9 G A1494 197.833 86.791 -11.634 0.00 0.00 N ATOM 31958 C8 G A1494 196.926 87.781 -11.358 0.00 0.00 C ATOM 31959 N7 G A1494 195.980 87.912 -12.254 0.00 0.00 N ATOM 31960 C5 G A1494 196.269 86.921 -13.201 0.00 0.00 C ATOM 31961 C6 G A1494 195.616 86.527 -14.428 0.00 0.00 C ATOM 31962 O6 G A1494 194.593 86.963 -14.962 0.00 0.00 O ATOM 31963 N1 G A1494 196.279 85.495 -15.081 0.00 0.00 N ATOM 31964 C2 G A1494 197.405 84.887 -14.592 0.00 0.00 C ATOM 31965 N2 G A1494 197.945 83.908 -15.274 0.00 0.00 N ATOM 31966 N3 G A1494 198.020 85.216 -13.465 0.00 0.00 N ATOM 31967 C4 G A1494 197.407 86.242 -12.816 0.00 0.00 C ATOM 31968 P U A1495 202.608 89.212 -12.229 0.00 0.00 P ATOM 31969 O1P U A1495 204.022 89.583 -12.000 0.00 0.00 O ATOM 31970 O2P U A1495 201.669 90.351 -12.340 0.00 0.00 O ATOM 31971 O5* U A1495 202.465 88.329 -13.544 0.00 0.00 O ATOM 31972 C5* U A1495 203.182 87.128 -13.737 0.00 0.00 C ATOM 31973 C4* U A1495 202.772 86.516 -15.081 0.00 0.00 C ATOM 31974 O4* U A1495 201.421 86.065 -15.093 0.00 0.00 O ATOM 31975 C3* U A1495 202.928 87.522 -16.221 0.00 0.00 C ATOM 31976 O3* U A1495 204.316 87.702 -16.543 0.00 0.00 O ATOM 31977 C2* U A1495 202.004 86.852 -17.254 0.00 0.00 C ATOM 31978 O2* U A1495 202.630 85.749 -17.907 0.00 0.00 O ATOM 31979 C1* U A1495 200.843 86.344 -16.369 0.00 0.00 C ATOM 31980 N1 U A1495 199.685 87.295 -16.236 0.00 0.00 N ATOM 31981 C2 U A1495 198.680 87.278 -17.218 0.00 0.00 C ATOM 31982 O2 U A1495 198.779 86.655 -18.274 0.00 0.00 O ATOM 31983 N3 U A1495 197.541 88.032 -16.969 0.00 0.00 N ATOM 31984 C4 U A1495 197.327 88.845 -15.878 0.00 0.00 C ATOM 31985 O4 U A1495 196.311 89.528 -15.789 0.00 0.00 O ATOM 31986 C5 U A1495 198.411 88.837 -14.923 0.00 0.00 C ATOM 31987 C6 U A1495 199.529 88.090 -15.117 0.00 0.00 C ATOM 31988 P C A1496 204.903 89.131 -17.030 0.00 0.00 P ATOM 31989 O1P C A1496 206.387 89.096 -17.131 0.00 0.00 O ATOM 31990 O2P C A1496 204.276 90.250 -16.296 0.00 0.00 O ATOM 31991 O5* C A1496 204.324 89.261 -18.499 0.00 0.00 O ATOM 31992 C5* C A1496 204.689 88.368 -19.532 0.00 0.00 C ATOM 31993 C4* C A1496 203.716 88.507 -20.705 0.00 0.00 C ATOM 31994 O4* C A1496 202.431 87.983 -20.381 0.00 0.00 O ATOM 31995 C3* C A1496 203.488 89.953 -21.134 0.00 0.00 C ATOM 31996 O3* C A1496 204.618 90.478 -21.817 0.00 0.00 O ATOM 31997 C2* C A1496 202.188 89.751 -21.925 0.00 0.00 C ATOM 31998 O2* C A1496 202.347 89.087 -23.168 0.00 0.00 O ATOM 31999 C1* C A1496 201.435 88.763 -21.045 0.00 0.00 C ATOM 32000 N1 C A1496 200.556 89.503 -20.088 0.00 0.00 N ATOM 32001 C2 C A1496 199.266 89.904 -20.486 0.00 0.00 C ATOM 32002 O2 C A1496 198.858 89.705 -21.639 0.00 0.00 O ATOM 32003 N3 C A1496 198.443 90.525 -19.594 0.00 0.00 N ATOM 32004 C4 C A1496 198.899 90.777 -18.365 0.00 0.00 C ATOM 32005 N4 C A1496 198.084 91.323 -17.492 0.00 0.00 N ATOM 32006 C5 C A1496 200.210 90.422 -17.931 0.00 0.00 C ATOM 32007 C6 C A1496 201.008 89.807 -18.829 0.00 0.00 C ATOM 32008 P G A1497 205.168 91.961 -21.515 0.00 0.00 P ATOM 32009 O1P G A1497 206.522 92.133 -22.075 0.00 0.00 O ATOM 32010 O2P G A1497 204.922 92.348 -20.099 0.00 0.00 O ATOM 32011 O5* G A1497 204.227 92.905 -22.405 0.00 0.00 O ATOM 32012 C5* G A1497 204.211 92.776 -23.820 0.00 0.00 C ATOM 32013 C4* G A1497 202.788 92.938 -24.335 0.00 0.00 C ATOM 32014 O4* G A1497 201.855 92.248 -23.521 0.00 0.00 O ATOM 32015 C3* G A1497 202.265 94.366 -24.384 0.00 0.00 C ATOM 32016 O3* G A1497 202.847 95.108 -25.452 0.00 0.00 O ATOM 32017 C2* G A1497 200.788 94.009 -24.603 0.00 0.00 C ATOM 32018 O2* G A1497 200.649 93.554 -25.948 0.00 0.00 O ATOM 32019 C1* G A1497 200.565 92.819 -23.674 0.00 0.00 C ATOM 32020 N9 G A1497 199.967 93.203 -22.361 0.00 0.00 N ATOM 32021 C8 G A1497 200.555 93.239 -21.120 0.00 0.00 C ATOM 32022 N7 G A1497 199.751 93.567 -20.146 0.00 0.00 N ATOM 32023 C5 G A1497 198.517 93.776 -20.777 0.00 0.00 C ATOM 32024 C6 G A1497 197.219 94.158 -20.264 0.00 0.00 C ATOM 32025 O6 G A1497 196.851 94.401 -19.114 0.00 0.00 O ATOM 32026 N1 G A1497 196.252 94.255 -21.249 0.00 0.00 N ATOM 32027 C2 G A1497 196.489 94.028 -22.573 0.00 0.00 C ATOM 32028 N2 G A1497 195.459 94.145 -23.377 0.00 0.00 N ATOM 32029 N3 G A1497 197.669 93.664 -23.083 0.00 0.00 N ATOM 32030 C4 G A1497 198.650 93.557 -22.136 0.00 0.00 C ATOM 32031 P U A1498 202.772 96.703 -25.502 0.00 0.00 P ATOM 32032 O1P U A1498 203.107 97.118 -26.882 0.00 0.00 O ATOM 32033 O2P U A1498 203.601 97.232 -24.393 0.00 0.00 O ATOM 32034 O5* U A1498 201.213 97.014 -25.231 0.00 0.00 O ATOM 32035 C5* U A1498 200.202 96.767 -26.216 0.00 0.00 C ATOM 32036 C4* U A1498 198.930 97.528 -25.861 0.00 0.00 C ATOM 32037 O4* U A1498 198.362 97.076 -24.628 0.00 0.00 O ATOM 32038 C3* U A1498 199.269 99.013 -25.753 0.00 0.00 C ATOM 32039 O3* U A1498 198.595 99.786 -26.740 0.00 0.00 O ATOM 32040 C2* U A1498 199.114 99.250 -24.239 0.00 0.00 C ATOM 32041 O2* U A1498 198.811 100.567 -23.830 0.00 0.00 O ATOM 32042 C1* U A1498 198.115 98.182 -23.766 0.00 0.00 C ATOM 32043 N1 U A1498 198.347 97.785 -22.341 0.00 0.00 N ATOM 32044 C2 U A1498 197.382 98.060 -21.355 0.00 0.00 C ATOM 32045 O2 U A1498 196.290 98.572 -21.574 0.00 0.00 O ATOM 32046 N3 U A1498 197.714 97.771 -20.043 0.00 0.00 N ATOM 32047 C4 U A1498 198.953 97.349 -19.612 0.00 0.00 C ATOM 32048 O4 U A1498 199.207 97.328 -18.414 0.00 0.00 O ATOM 32049 C5 U A1498 199.880 97.026 -20.679 0.00 0.00 C ATOM 32050 C6 U A1498 199.557 97.234 -21.981 0.00 0.00 C ATOM 32051 P A A1499 197.008 99.887 -26.969 0.00 0.00 P ATOM 32052 O1P A A1499 196.848 100.954 -27.969 0.00 0.00 O ATOM 32053 O2P A A1499 196.415 100.067 -25.628 0.00 0.00 O ATOM 32054 O5* A A1499 196.447 98.503 -27.635 0.00 0.00 O ATOM 32055 C5* A A1499 195.663 98.446 -28.840 0.00 0.00 C ATOM 32056 C4* A A1499 194.131 98.415 -28.647 0.00 0.00 C ATOM 32057 O4* A A1499 193.675 97.308 -27.868 0.00 0.00 O ATOM 32058 C3* A A1499 193.522 99.673 -28.038 0.00 0.00 C ATOM 32059 O3* A A1499 193.359 100.686 -29.006 0.00 0.00 O ATOM 32060 C2* A A1499 192.194 99.119 -27.508 0.00 0.00 C ATOM 32061 O2* A A1499 191.211 98.869 -28.501 0.00 0.00 O ATOM 32062 C1* A A1499 192.644 97.760 -26.990 0.00 0.00 C ATOM 32063 N9 A A1499 193.173 97.856 -25.621 0.00 0.00 N ATOM 32064 C8 A A1499 194.456 97.632 -25.192 0.00 0.00 C ATOM 32065 N7 A A1499 194.603 97.715 -23.903 0.00 0.00 N ATOM 32066 C5 A A1499 193.327 98.066 -23.456 0.00 0.00 C ATOM 32067 C6 A A1499 192.779 98.351 -22.191 0.00 0.00 C ATOM 32068 N6 A A1499 193.513 98.346 -21.104 0.00 0.00 N ATOM 32069 N1 A A1499 191.483 98.657 -22.045 0.00 0.00 N ATOM 32070 C2 A A1499 190.742 98.688 -23.147 0.00 0.00 C ATOM 32071 N3 A A1499 191.114 98.442 -24.402 0.00 0.00 N ATOM 32072 C4 A A1499 192.442 98.140 -24.491 0.00 0.00 C ATOM 32073 P A A1500 193.084 102.204 -28.589 0.00 0.00 P ATOM 32074 O1P A A1500 192.950 102.999 -29.815 0.00 0.00 O ATOM 32075 O2P A A1500 194.056 102.588 -27.545 0.00 0.00 O ATOM 32076 O5* A A1500 191.679 102.160 -27.856 0.00 0.00 O ATOM 32077 C5* A A1500 190.456 102.092 -28.542 0.00 0.00 C ATOM 32078 C4* A A1500 189.359 102.240 -27.490 0.00 0.00 C ATOM 32079 O4* A A1500 189.462 101.250 -26.456 0.00 0.00 O ATOM 32080 C3* A A1500 189.431 103.592 -26.781 0.00 0.00 C ATOM 32081 O3* A A1500 188.891 104.668 -27.522 0.00 0.00 O ATOM 32082 C2* A A1500 188.633 103.249 -25.531 0.00 0.00 C ATOM 32083 O2* A A1500 187.257 103.025 -25.809 0.00 0.00 O ATOM 32084 C1* A A1500 189.230 101.884 -25.198 0.00 0.00 C ATOM 32085 N9 A A1500 190.481 101.985 -24.401 0.00 0.00 N ATOM 32086 C8 A A1500 191.785 101.721 -24.764 0.00 0.00 C ATOM 32087 N7 A A1500 192.638 101.748 -23.778 0.00 0.00 N ATOM 32088 C5 A A1500 191.844 102.084 -22.683 0.00 0.00 C ATOM 32089 C6 A A1500 192.107 102.288 -21.313 0.00 0.00 C ATOM 32090 N6 A A1500 193.305 102.188 -20.763 0.00 0.00 N ATOM 32091 N1 A A1500 191.121 102.637 -20.489 0.00 0.00 N ATOM 32092 C2 A A1500 189.905 102.804 -20.988 0.00 0.00 C ATOM 32093 N3 A A1500 189.502 102.630 -22.246 0.00 0.00 N ATOM 32094 C4 A A1500 190.538 102.266 -23.055 0.00 0.00 C ATOM 32095 P C A1501 189.505 106.141 -27.371 0.00 0.00 P ATOM 32096 O1P C A1501 188.818 107.029 -28.330 0.00 0.00 O ATOM 32097 O2P C A1501 190.971 106.016 -27.388 0.00 0.00 O ATOM 32098 O5* C A1501 189.094 106.562 -25.880 0.00 0.00 O ATOM 32099 C5* C A1501 187.746 106.767 -25.522 0.00 0.00 C ATOM 32100 C4* C A1501 187.654 107.204 -24.055 0.00 0.00 C ATOM 32101 O4* C A1501 188.202 106.190 -23.214 0.00 0.00 O ATOM 32102 C3* C A1501 188.374 108.495 -23.696 0.00 0.00 C ATOM 32103 O3* C A1501 187.607 109.654 -23.989 0.00 0.00 O ATOM 32104 C2* C A1501 188.574 108.279 -22.187 0.00 0.00 C ATOM 32105 O2* C A1501 187.426 108.454 -21.377 0.00 0.00 O ATOM 32106 C1* C A1501 188.825 106.781 -22.077 0.00 0.00 C ATOM 32107 N1 C A1501 190.275 106.461 -21.957 0.00 0.00 N ATOM 32108 C2 C A1501 190.924 106.659 -20.724 0.00 0.00 C ATOM 32109 O2 C A1501 190.346 107.167 -19.759 0.00 0.00 O ATOM 32110 N3 C A1501 192.226 106.293 -20.576 0.00 0.00 N ATOM 32111 C4 C A1501 192.854 105.722 -21.599 0.00 0.00 C ATOM 32112 N4 C A1501 194.109 105.385 -21.433 0.00 0.00 N ATOM 32113 C5 C A1501 192.246 105.524 -22.869 0.00 0.00 C ATOM 32114 C6 C A1501 190.961 105.918 -23.014 0.00 0.00 C ATOM 32115 P A A1502 187.913 110.537 -25.295 0.00 0.00 P ATOM 32116 O1P A A1502 186.757 111.427 -25.577 0.00 0.00 O ATOM 32117 O2P A A1502 188.416 109.709 -26.394 0.00 0.00 O ATOM 32118 O5* A A1502 189.122 111.476 -24.843 0.00 0.00 O ATOM 32119 C5* A A1502 188.864 112.785 -24.392 0.00 0.00 C ATOM 32120 C4* A A1502 190.087 113.684 -24.348 0.00 0.00 C ATOM 32121 O4* A A1502 190.785 113.570 -23.116 0.00 0.00 O ATOM 32122 C3* A A1502 191.042 113.390 -25.510 0.00 0.00 C ATOM 32123 O3* A A1502 191.332 114.606 -26.158 0.00 0.00 O ATOM 32124 C2* A A1502 192.242 112.850 -24.756 0.00 0.00 C ATOM 32125 O2* A A1502 193.417 113.095 -25.499 0.00 0.00 O ATOM 32126 C1* A A1502 192.161 113.611 -23.423 0.00 0.00 C ATOM 32127 N9 A A1502 192.944 113.101 -22.256 0.00 0.00 N ATOM 32128 C8 A A1502 192.743 113.305 -20.905 0.00 0.00 C ATOM 32129 N7 A A1502 193.766 113.011 -20.142 0.00 0.00 N ATOM 32130 C5 A A1502 194.668 112.446 -21.046 0.00 0.00 C ATOM 32131 C6 A A1502 195.941 111.837 -20.935 0.00 0.00 C ATOM 32132 N6 A A1502 196.601 111.705 -19.793 0.00 0.00 N ATOM 32133 N1 A A1502 196.510 111.247 -21.999 0.00 0.00 N ATOM 32134 C2 A A1502 195.815 111.261 -23.137 0.00 0.00 C ATOM 32135 N3 A A1502 194.678 111.863 -23.407 0.00 0.00 N ATOM 32136 C4 A A1502 194.141 112.439 -22.310 0.00 0.00 C ATOM 32137 P A A1503 190.393 115.179 -27.307 0.00 0.00 P ATOM 32138 O1P A A1503 190.497 116.644 -27.157 0.00 0.00 O ATOM 32139 O2P A A1503 189.072 114.496 -27.214 0.00 0.00 O ATOM 32140 O5* A A1503 191.137 114.681 -28.653 0.00 0.00 O ATOM 32141 C5* A A1503 190.653 113.554 -29.367 0.00 0.00 C ATOM 32142 C4* A A1503 191.640 113.009 -30.405 0.00 0.00 C ATOM 32143 O4* A A1503 192.054 114.027 -31.288 0.00 0.00 O ATOM 32144 C3* A A1503 192.862 112.256 -29.840 0.00 0.00 C ATOM 32145 O3* A A1503 192.567 110.923 -30.229 0.00 0.00 O ATOM 32146 C2* A A1503 194.055 113.046 -30.408 0.00 0.00 C ATOM 32147 O2* A A1503 195.172 112.357 -30.932 0.00 0.00 O ATOM 32148 C1* A A1503 193.447 113.920 -31.496 0.00 0.00 C ATOM 32149 N9 A A1503 193.989 115.279 -31.390 0.00 0.00 N ATOM 32150 C8 A A1503 193.767 116.180 -30.385 0.00 0.00 C ATOM 32151 N7 A A1503 194.284 117.353 -30.607 0.00 0.00 N ATOM 32152 C5 A A1503 194.994 117.179 -31.801 0.00 0.00 C ATOM 32153 C6 A A1503 195.867 117.982 -32.579 0.00 0.00 C ATOM 32154 N6 A A1503 196.301 119.190 -32.259 0.00 0.00 N ATOM 32155 N1 A A1503 196.401 117.515 -33.712 0.00 0.00 N ATOM 32156 C2 A A1503 196.090 116.277 -34.075 0.00 0.00 C ATOM 32157 N3 A A1503 195.329 115.395 -33.435 0.00 0.00 N ATOM 32158 C4 A A1503 194.806 115.913 -32.289 0.00 0.00 C ATOM 32159 P G A1504 193.585 109.710 -30.519 0.00 0.00 P ATOM 32160 O1P G A1504 194.144 109.880 -31.873 0.00 0.00 O ATOM 32161 O2P G A1504 192.790 108.505 -30.239 0.00 0.00 O ATOM 32162 O5* G A1504 194.813 109.793 -29.474 0.00 0.00 O ATOM 32163 C5* G A1504 194.647 109.831 -28.075 0.00 0.00 C ATOM 32164 C4* G A1504 195.205 108.563 -27.425 0.00 0.00 C ATOM 32165 O4* G A1504 195.204 108.827 -26.028 0.00 0.00 O ATOM 32166 C3* G A1504 194.316 107.335 -27.711 0.00 0.00 C ATOM 32167 O3* G A1504 194.838 106.268 -28.517 0.00 0.00 O ATOM 32168 C2* G A1504 193.692 106.988 -26.357 0.00 0.00 C ATOM 32169 O2* G A1504 193.833 105.661 -25.903 0.00 0.00 O ATOM 32170 C1* G A1504 194.393 107.881 -25.358 0.00 0.00 C ATOM 32171 N9 G A1504 193.455 108.515 -24.396 0.00 0.00 N ATOM 32172 C8 G A1504 192.149 108.931 -24.516 0.00 0.00 C ATOM 32173 N7 G A1504 191.631 109.398 -23.407 0.00 0.00 N ATOM 32174 C5 G A1504 192.649 109.244 -22.465 0.00 0.00 C ATOM 32175 C6 G A1504 192.727 109.547 -21.056 0.00 0.00 C ATOM 32176 O6 G A1504 191.901 110.077 -20.307 0.00 0.00 O ATOM 32177 N1 G A1504 193.943 109.175 -20.502 0.00 0.00 N ATOM 32178 C2 G A1504 194.960 108.595 -21.209 0.00 0.00 C ATOM 32179 N2 G A1504 196.104 108.368 -20.625 0.00 0.00 N ATOM 32180 N3 G A1504 194.928 108.338 -22.505 0.00 0.00 N ATOM 32181 C4 G A1504 193.746 108.678 -23.074 0.00 0.00 C ATOM 32182 P G A1505 196.270 105.541 -28.402 0.00 0.00 P ATOM 32183 O1P G A1505 196.269 104.367 -29.293 0.00 0.00 O ATOM 32184 O2P G A1505 196.584 105.259 -26.990 0.00 0.00 O ATOM 32185 O5* G A1505 197.371 106.533 -28.982 0.00 0.00 O ATOM 32186 C5* G A1505 197.440 106.816 -30.365 0.00 0.00 C ATOM 32187 C4* G A1505 198.575 107.806 -30.653 0.00 0.00 C ATOM 32188 O4* G A1505 198.511 108.905 -29.749 0.00 0.00 O ATOM 32189 C3* G A1505 199.982 107.192 -30.531 0.00 0.00 C ATOM 32190 O3* G A1505 200.690 107.074 -31.761 0.00 0.00 O ATOM 32191 C2* G A1505 200.728 108.158 -29.602 0.00 0.00 C ATOM 32192 O2* G A1505 201.457 109.180 -30.277 0.00 0.00 O ATOM 32193 C1* G A1505 199.592 108.823 -28.832 0.00 0.00 C ATOM 32194 N9 G A1505 199.263 108.169 -27.532 0.00 0.00 N ATOM 32195 C8 G A1505 199.518 106.900 -27.059 0.00 0.00 C ATOM 32196 N7 G A1505 199.328 106.750 -25.775 0.00 0.00 N ATOM 32197 C5 G A1505 198.880 108.005 -25.354 0.00 0.00 C ATOM 32198 C6 G A1505 198.518 108.516 -24.057 0.00 0.00 C ATOM 32199 O6 G A1505 198.386 107.936 -22.980 0.00 0.00 O ATOM 32200 N1 G A1505 198.339 109.888 -24.056 0.00 0.00 N ATOM 32201 C2 G A1505 198.305 110.655 -25.189 0.00 0.00 C ATOM 32202 N2 G A1505 198.005 111.933 -25.058 0.00 0.00 N ATOM 32203 N3 G A1505 198.530 110.190 -26.412 0.00 0.00 N ATOM 32204 C4 G A1505 198.847 108.867 -26.429 0.00 0.00 C ATOM 32205 P U A1506 200.493 105.801 -32.721 0.00 0.00 P ATOM 32206 O1P U A1506 200.338 104.604 -31.874 0.00 0.00 O ATOM 32207 O2P U A1506 201.583 105.846 -33.728 0.00 0.00 O ATOM 32208 O5* U A1506 199.079 106.163 -33.418 0.00 0.00 O ATOM 32209 C5* U A1506 198.958 107.269 -34.304 0.00 0.00 C ATOM 32210 C4* U A1506 197.945 107.039 -35.434 0.00 0.00 C ATOM 32211 O4* U A1506 198.217 105.765 -36.004 0.00 0.00 O ATOM 32212 C3* U A1506 196.450 107.081 -35.067 0.00 0.00 C ATOM 32213 O3* U A1506 195.734 107.602 -36.184 0.00 0.00 O ATOM 32214 C2* U A1506 196.141 105.601 -34.848 0.00 0.00 C ATOM 32215 O2* U A1506 194.800 105.212 -35.106 0.00 0.00 O ATOM 32216 C1* U A1506 197.025 105.005 -35.927 0.00 0.00 C ATOM 32217 N1 U A1506 197.266 103.553 -35.736 0.00 0.00 N ATOM 32218 C2 U A1506 196.787 102.706 -36.733 0.00 0.00 C ATOM 32219 O2 U A1506 196.234 103.102 -37.758 0.00 0.00 O ATOM 32220 N3 U A1506 196.972 101.360 -36.534 0.00 0.00 N ATOM 32221 C4 U A1506 197.629 100.758 -35.488 0.00 0.00 C ATOM 32222 O4 U A1506 197.821 99.543 -35.515 0.00 0.00 O ATOM 32223 C5 U A1506 198.061 101.695 -34.465 0.00 0.00 C ATOM 32224 C6 U A1506 197.871 103.038 -34.606 0.00 0.00 C ATOM 32225 P A A1507 195.276 109.128 -36.203 0.00 0.00 P ATOM 32226 O1P A A1507 194.752 109.482 -37.544 0.00 0.00 O ATOM 32227 O2P A A1507 196.447 109.929 -35.779 0.00 0.00 O ATOM 32228 O5* A A1507 194.107 109.239 -35.106 0.00 0.00 O ATOM 32229 C5* A A1507 193.060 108.276 -35.019 0.00 0.00 C ATOM 32230 C4* A A1507 191.984 108.642 -33.979 0.00 0.00 C ATOM 32231 O4* A A1507 191.237 109.787 -34.392 0.00 0.00 O ATOM 32232 C3* A A1507 190.946 107.527 -33.822 0.00 0.00 C ATOM 32233 O3* A A1507 191.414 106.412 -33.071 0.00 0.00 O ATOM 32234 C2* A A1507 189.749 108.316 -33.257 0.00 0.00 C ATOM 32235 O2* A A1507 189.830 108.818 -31.933 0.00 0.00 O ATOM 32236 C1* A A1507 189.858 109.573 -34.112 0.00 0.00 C ATOM 32237 N9 A A1507 189.138 109.420 -35.391 0.00 0.00 N ATOM 32238 C8 A A1507 189.664 109.211 -36.644 0.00 0.00 C ATOM 32239 N7 A A1507 188.787 109.203 -37.612 0.00 0.00 N ATOM 32240 C5 A A1507 187.586 109.388 -36.918 0.00 0.00 C ATOM 32241 C6 A A1507 186.245 109.490 -37.324 0.00 0.00 C ATOM 32242 N6 A A1507 185.898 109.399 -38.594 0.00 0.00 N ATOM 32243 N1 A A1507 185.265 109.694 -36.431 0.00 0.00 N ATOM 32244 C2 A A1507 185.609 109.792 -35.149 0.00 0.00 C ATOM 32245 N3 A A1507 186.827 109.724 -34.620 0.00 0.00 N ATOM 32246 C4 A A1507 187.782 109.517 -35.570 0.00 0.00 C ATOM 32247 P A A1508 190.922 104.902 -33.381 0.00 0.00 P ATOM 32248 O1P A A1508 191.875 103.922 -32.826 0.00 0.00 O ATOM 32249 O2P A A1508 190.590 104.816 -34.819 0.00 0.00 O ATOM 32250 O5* A A1508 189.525 104.812 -32.591 0.00 0.00 O ATOM 32251 C5* A A1508 189.364 105.111 -31.211 0.00 0.00 C ATOM 32252 C4* A A1508 187.872 105.384 -30.961 0.00 0.00 C ATOM 32253 O4* A A1508 187.459 106.521 -31.724 0.00 0.00 O ATOM 32254 C3* A A1508 186.962 104.224 -31.373 0.00 0.00 C ATOM 32255 O3* A A1508 186.876 103.182 -30.395 0.00 0.00 O ATOM 32256 C2* A A1508 185.661 104.993 -31.658 0.00 0.00 C ATOM 32257 O2* A A1508 184.926 105.361 -30.498 0.00 0.00 O ATOM 32258 C1* A A1508 186.173 106.289 -32.285 0.00 0.00 C ATOM 32259 N9 A A1508 186.228 106.205 -33.771 0.00 0.00 N ATOM 32260 C8 A A1508 187.309 105.960 -34.591 0.00 0.00 C ATOM 32261 N7 A A1508 187.042 105.988 -35.869 0.00 0.00 N ATOM 32262 C5 A A1508 185.677 106.267 -35.898 0.00 0.00 C ATOM 32263 C6 A A1508 184.747 106.437 -36.945 0.00 0.00 C ATOM 32264 N6 A A1508 185.081 106.330 -38.222 0.00 0.00 N ATOM 32265 N1 A A1508 183.464 106.715 -36.683 0.00 0.00 N ATOM 32266 C2 A A1508 183.108 106.812 -35.404 0.00 0.00 C ATOM 32267 N3 A A1508 183.868 106.667 -34.318 0.00 0.00 N ATOM 32268 C4 A A1508 185.167 106.397 -34.634 0.00 0.00 C ATOM 32269 P C A1509 186.511 101.664 -30.812 0.00 0.00 P ATOM 32270 O1P C A1509 186.633 100.756 -29.641 0.00 0.00 O ATOM 32271 O2P C A1509 187.233 101.342 -32.058 0.00 0.00 O ATOM 32272 O5* C A1509 184.961 101.796 -31.194 0.00 0.00 O ATOM 32273 C5* C A1509 183.972 102.158 -30.258 0.00 0.00 C ATOM 32274 C4* C A1509 182.674 102.524 -30.989 0.00 0.00 C ATOM 32275 O4* C A1509 182.799 103.629 -31.900 0.00 0.00 O ATOM 32276 C3* C A1509 182.094 101.368 -31.800 0.00 0.00 C ATOM 32277 O3* C A1509 181.430 100.409 -30.992 0.00 0.00 O ATOM 32278 C2* C A1509 181.140 102.185 -32.672 0.00 0.00 C ATOM 32279 O2* C A1509 180.065 102.670 -31.874 0.00 0.00 O ATOM 32280 C1* C A1509 182.006 103.379 -33.070 0.00 0.00 C ATOM 32281 N1 C A1509 182.839 103.129 -34.297 0.00 0.00 N ATOM 32282 C2 C A1509 182.281 103.322 -35.578 0.00 0.00 C ATOM 32283 O2 C A1509 181.079 103.540 -35.745 0.00 0.00 O ATOM 32284 N3 C A1509 183.073 103.273 -36.687 0.00 0.00 N ATOM 32285 C4 C A1509 184.372 103.034 -36.543 0.00 0.00 C ATOM 32286 N4 C A1509 185.121 103.039 -37.622 0.00 0.00 N ATOM 32287 C5 C A1509 184.976 102.787 -35.281 0.00 0.00 C ATOM 32288 C6 C A1509 184.176 102.826 -34.191 0.00 0.00 C ATOM 32289 P C A1510 181.183 98.914 -31.511 0.00 0.00 P ATOM 32290 O1P C A1510 180.230 98.271 -30.572 0.00 0.00 O ATOM 32291 O2P C A1510 182.496 98.289 -31.745 0.00 0.00 O ATOM 32292 O5* C A1510 180.437 99.090 -32.927 0.00 0.00 O ATOM 32293 C5* C A1510 179.083 99.500 -33.001 0.00 0.00 C ATOM 32294 C4* C A1510 178.628 99.716 -34.450 0.00 0.00 C ATOM 32295 O4* C A1510 179.398 100.676 -35.156 0.00 0.00 O ATOM 32296 C3* C A1510 178.643 98.437 -35.274 0.00 0.00 C ATOM 32297 O3* C A1510 177.508 97.670 -34.891 0.00 0.00 O ATOM 32298 C2* C A1510 178.600 99.050 -36.683 0.00 0.00 C ATOM 32299 O2* C A1510 177.300 99.514 -37.031 0.00 0.00 O ATOM 32300 C1* C A1510 179.487 100.290 -36.523 0.00 0.00 C ATOM 32301 N1 C A1510 180.904 100.059 -36.941 0.00 0.00 N ATOM 32302 C2 C A1510 181.207 100.088 -38.312 0.00 0.00 C ATOM 32303 O2 C A1510 180.322 100.182 -39.169 0.00 0.00 O ATOM 32304 N3 C A1510 182.498 100.011 -38.717 0.00 0.00 N ATOM 32305 C4 C A1510 183.461 99.851 -37.823 0.00 0.00 C ATOM 32306 N4 C A1510 184.683 99.725 -38.291 0.00 0.00 N ATOM 32307 C5 C A1510 183.209 99.797 -36.419 0.00 0.00 C ATOM 32308 C6 C A1510 181.918 99.902 -36.020 0.00 0.00 C ATOM 32309 P G A1511 177.533 96.081 -34.733 0.00 0.00 P ATOM 32310 O1P G A1511 176.339 95.720 -33.930 0.00 0.00 O ATOM 32311 O2P G A1511 178.872 95.645 -34.282 0.00 0.00 O ATOM 32312 O5* G A1511 177.298 95.582 -36.228 0.00 0.00 O ATOM 32313 C5* G A1511 176.002 95.608 -36.792 0.00 0.00 C ATOM 32314 C4* G A1511 176.031 95.342 -38.293 0.00 0.00 C ATOM 32315 O4* G A1511 176.600 96.434 -39.005 0.00 0.00 O ATOM 32316 C3* G A1511 176.821 94.095 -38.683 0.00 0.00 C ATOM 32317 O3* G A1511 176.107 92.898 -38.442 0.00 0.00 O ATOM 32318 C2* G A1511 177.007 94.415 -40.166 0.00 0.00 C ATOM 32319 O2* G A1511 175.795 94.226 -40.907 0.00 0.00 O ATOM 32320 C1* G A1511 177.320 95.911 -40.111 0.00 0.00 C ATOM 32321 N9 G A1511 178.765 96.183 -39.912 0.00 0.00 N ATOM 32322 C8 G A1511 179.465 96.339 -38.744 0.00 0.00 C ATOM 32323 N7 G A1511 180.696 96.738 -38.900 0.00 0.00 N ATOM 32324 C5 G A1511 180.856 96.798 -40.287 0.00 0.00 C ATOM 32325 C6 G A1511 181.992 97.128 -41.111 0.00 0.00 C ATOM 32326 O6 G A1511 183.131 97.473 -40.806 0.00 0.00 O ATOM 32327 N1 G A1511 181.726 97.006 -42.460 0.00 0.00 N ATOM 32328 C2 G A1511 180.526 96.621 -42.972 0.00 0.00 C ATOM 32329 N2 G A1511 180.457 96.500 -44.269 0.00 0.00 N ATOM 32330 N3 G A1511 179.449 96.314 -42.248 0.00 0.00 N ATOM 32331 C4 G A1511 179.679 96.424 -40.907 0.00 0.00 C ATOM 32332 P U A1512 176.844 91.481 -38.295 0.00 0.00 P ATOM 32333 O1P U A1512 175.800 90.442 -38.262 0.00 0.00 O ATOM 32334 O2P U A1512 177.763 91.533 -37.140 0.00 0.00 O ATOM 32335 O5* U A1512 177.698 91.281 -39.634 0.00 0.00 O ATOM 32336 C5* U A1512 177.077 90.971 -40.869 0.00 0.00 C ATOM 32337 C4* U A1512 178.067 91.084 -42.035 0.00 0.00 C ATOM 32338 O4* U A1512 178.584 92.409 -42.153 0.00 0.00 O ATOM 32339 C3* U A1512 179.261 90.137 -41.924 0.00 0.00 C ATOM 32340 O3* U A1512 178.947 88.810 -42.357 0.00 0.00 O ATOM 32341 C2* U A1512 180.243 90.895 -42.827 0.00 0.00 C ATOM 32342 O2* U A1512 179.901 90.687 -44.181 0.00 0.00 O ATOM 32343 C1* U A1512 179.957 92.368 -42.516 0.00 0.00 C ATOM 32344 N1 U A1512 180.853 92.939 -41.462 0.00 0.00 N ATOM 32345 C2 U A1512 182.068 93.505 -41.874 0.00 0.00 C ATOM 32346 O2 U A1512 182.431 93.552 -43.051 0.00 0.00 O ATOM 32347 N3 U A1512 182.880 94.028 -40.885 0.00 0.00 N ATOM 32348 C4 U A1512 182.653 93.961 -39.530 0.00 0.00 C ATOM 32349 O4 U A1512 183.530 94.291 -38.738 0.00 0.00 O ATOM 32350 C5 U A1512 181.348 93.446 -39.182 0.00 0.00 C ATOM 32351 C6 U A1512 180.502 92.957 -40.126 0.00 0.00 C ATOM 32352 P A A1513 179.909 87.567 -41.980 0.00 0.00 P ATOM 32353 O1P A A1513 179.367 86.283 -42.507 0.00 0.00 O ATOM 32354 O2P A A1513 180.222 87.689 -40.542 0.00 0.00 O ATOM 32355 O5* A A1513 181.252 87.927 -42.788 0.00 0.00 O ATOM 32356 C5* A A1513 181.382 87.715 -44.183 0.00 0.00 C ATOM 32357 C4* A A1513 182.827 88.006 -44.597 0.00 0.00 C ATOM 32358 O4* A A1513 183.129 89.398 -44.494 0.00 0.00 O ATOM 32359 C3* A A1513 183.849 87.250 -43.748 0.00 0.00 C ATOM 32360 O3* A A1513 183.947 85.871 -44.107 0.00 0.00 O ATOM 32361 C2* A A1513 185.076 88.111 -44.057 0.00 0.00 C ATOM 32362 O2* A A1513 185.609 87.853 -45.345 0.00 0.00 O ATOM 32363 C1* A A1513 184.491 89.525 -44.102 0.00 0.00 C ATOM 32364 N9 A A1513 184.594 90.223 -42.797 0.00 0.00 N ATOM 32365 C8 A A1513 183.731 90.210 -41.728 0.00 0.00 C ATOM 32366 N7 A A1513 184.063 91.021 -40.759 0.00 0.00 N ATOM 32367 C5 A A1513 185.272 91.574 -41.199 0.00 0.00 C ATOM 32368 C6 A A1513 186.216 92.484 -40.659 0.00 0.00 C ATOM 32369 N6 A A1513 186.088 93.138 -39.520 0.00 0.00 N ATOM 32370 N1 A A1513 187.348 92.763 -41.317 0.00 0.00 N ATOM 32371 C2 A A1513 187.532 92.203 -42.507 0.00 0.00 C ATOM 32372 N3 A A1513 186.727 91.359 -43.149 0.00 0.00 N ATOM 32373 C4 A A1513 185.609 91.072 -42.428 0.00 0.00 C ATOM 32374 P G A1514 184.714 84.820 -43.172 0.00 0.00 P ATOM 32375 O1P G A1514 184.581 83.427 -43.659 0.00 0.00 O ATOM 32376 O2P G A1514 184.398 85.053 -41.751 0.00 0.00 O ATOM 32377 O5* G A1514 186.247 85.192 -43.295 0.00 0.00 O ATOM 32378 C5* G A1514 186.959 84.929 -44.475 0.00 0.00 C ATOM 32379 C4* G A1514 188.309 85.617 -44.377 0.00 0.00 C ATOM 32380 O4* G A1514 188.177 87.028 -44.256 0.00 0.00 O ATOM 32381 C3* G A1514 189.178 85.172 -43.200 0.00 0.00 C ATOM 32382 O3* G A1514 189.727 83.891 -43.444 0.00 0.00 O ATOM 32383 C2* G A1514 190.204 86.307 -43.285 0.00 0.00 C ATOM 32384 O2* G A1514 191.054 86.076 -44.414 0.00 0.00 O ATOM 32385 C1* G A1514 189.284 87.523 -43.515 0.00 0.00 C ATOM 32386 N9 G A1514 188.761 88.114 -42.251 0.00 0.00 N ATOM 32387 C8 G A1514 187.648 87.741 -41.531 0.00 0.00 C ATOM 32388 N7 G A1514 187.411 88.453 -40.464 0.00 0.00 N ATOM 32389 C5 G A1514 188.459 89.374 -40.467 0.00 0.00 C ATOM 32390 C6 G A1514 188.792 90.377 -39.500 0.00 0.00 C ATOM 32391 O6 G A1514 188.206 90.658 -38.452 0.00 0.00 O ATOM 32392 N1 G A1514 189.966 91.032 -39.788 0.00 0.00 N ATOM 32393 C2 G A1514 190.742 90.760 -40.872 0.00 0.00 C ATOM 32394 N2 G A1514 191.872 91.411 -40.890 0.00 0.00 N ATOM 32395 N3 G A1514 190.457 89.853 -41.819 0.00 0.00 N ATOM 32396 C4 G A1514 189.297 89.174 -41.549 0.00 0.00 C ATOM 32397 P G A1515 190.398 82.987 -42.307 0.00 0.00 P ATOM 32398 O1P G A1515 191.124 81.937 -43.044 0.00 0.00 O ATOM 32399 O2P G A1515 189.398 82.639 -41.271 0.00 0.00 O ATOM 32400 O5* G A1515 191.509 83.888 -41.601 0.00 0.00 O ATOM 32401 C5* G A1515 192.799 84.043 -42.174 0.00 0.00 C ATOM 32402 C4* G A1515 193.647 84.991 -41.341 0.00 0.00 C ATOM 32403 O4* G A1515 193.041 86.272 -41.320 0.00 0.00 O ATOM 32404 C3* G A1515 193.853 84.539 -39.895 0.00 0.00 C ATOM 32405 O3* G A1515 194.843 83.512 -39.846 0.00 0.00 O ATOM 32406 C2* G A1515 194.244 85.896 -39.302 0.00 0.00 C ATOM 32407 O2* G A1515 195.583 86.217 -39.630 0.00 0.00 O ATOM 32408 C1* G A1515 193.309 86.853 -40.059 0.00 0.00 C ATOM 32409 N9 G A1515 192.039 87.082 -39.327 0.00 0.00 N ATOM 32410 C8 G A1515 190.791 86.532 -39.492 0.00 0.00 C ATOM 32411 N7 G A1515 189.886 86.979 -38.654 0.00 0.00 N ATOM 32412 C5 G A1515 190.592 87.902 -37.871 0.00 0.00 C ATOM 32413 C6 G A1515 190.190 88.746 -36.773 0.00 0.00 C ATOM 32414 O6 G A1515 189.072 88.861 -36.256 0.00 0.00 O ATOM 32415 N1 G A1515 191.224 89.534 -36.283 0.00 0.00 N ATOM 32416 C2 G A1515 192.494 89.518 -36.796 0.00 0.00 C ATOM 32417 N2 G A1515 193.418 90.267 -36.248 0.00 0.00 N ATOM 32418 N3 G A1515 192.894 88.738 -37.791 0.00 0.00 N ATOM 32419 C4 G A1515 191.900 87.963 -38.293 0.00 0.00 C ATOM 32420 P G A1516 195.104 82.586 -38.566 0.00 0.00 P ATOM 32421 O1P G A1516 196.088 81.568 -39.001 0.00 0.00 O ATOM 32422 O2P G A1516 193.800 82.078 -38.094 0.00 0.00 O ATOM 32423 O5* G A1516 195.752 83.462 -37.388 0.00 0.00 O ATOM 32424 C5* G A1516 197.030 84.066 -37.562 0.00 0.00 C ATOM 32425 C4* G A1516 197.281 85.178 -36.540 0.00 0.00 C ATOM 32426 O4* G A1516 196.356 86.239 -36.740 0.00 0.00 O ATOM 32427 C3* G A1516 197.118 84.719 -35.095 0.00 0.00 C ATOM 32428 O3* G A1516 198.230 83.991 -34.583 0.00 0.00 O ATOM 32429 C2* G A1516 196.854 86.063 -34.423 0.00 0.00 C ATOM 32430 O2* G A1516 198.007 86.874 -34.234 0.00 0.00 O ATOM 32431 C1* G A1516 195.986 86.762 -35.476 0.00 0.00 C ATOM 32432 N9 G A1516 194.542 86.542 -35.245 0.00 0.00 N ATOM 32433 C8 G A1516 193.708 85.562 -35.725 0.00 0.00 C ATOM 32434 N7 G A1516 192.508 85.574 -35.211 0.00 0.00 N ATOM 32435 C5 G A1516 192.546 86.664 -34.336 0.00 0.00 C ATOM 32436 C6 G A1516 191.587 87.133 -33.378 0.00 0.00 C ATOM 32437 O6 G A1516 190.500 86.637 -33.080 0.00 0.00 O ATOM 32438 N1 G A1516 192.060 88.177 -32.607 0.00 0.00 N ATOM 32439 C2 G A1516 193.315 88.702 -32.722 0.00 0.00 C ATOM 32440 N2 G A1516 193.692 89.507 -31.762 0.00 0.00 N ATOM 32441 N3 G A1516 194.222 88.309 -33.611 0.00 0.00 N ATOM 32442 C4 G A1516 193.781 87.271 -34.375 0.00 0.00 C ATOM 32443 P G A1517 198.030 82.680 -33.683 0.00 0.00 P ATOM 32444 O1P G A1517 199.321 81.950 -33.602 0.00 0.00 O ATOM 32445 O2P G A1517 196.837 81.950 -34.181 0.00 0.00 O ATOM 32446 O5* G A1517 197.683 83.146 -32.188 0.00 0.00 O ATOM 32447 C5* G A1517 198.605 83.861 -31.383 0.00 0.00 C ATOM 32448 C4* G A1517 198.167 83.776 -29.918 0.00 0.00 C ATOM 32449 O4* G A1517 199.259 84.084 -29.053 0.00 0.00 O ATOM 32450 C3* G A1517 197.030 84.726 -29.543 0.00 0.00 C ATOM 32451 O3* G A1517 195.728 84.272 -29.935 0.00 0.00 O ATOM 32452 C2* G A1517 197.247 84.767 -28.023 0.00 0.00 C ATOM 32453 O2* G A1517 196.795 83.582 -27.370 0.00 0.00 O ATOM 32454 C1* G A1517 198.773 84.772 -27.901 0.00 0.00 C ATOM 32455 N9 G A1517 199.368 86.135 -27.799 0.00 0.00 N ATOM 32456 C8 G A1517 200.158 86.787 -28.713 0.00 0.00 C ATOM 32457 N7 G A1517 200.703 87.889 -28.273 0.00 0.00 N ATOM 32458 C5 G A1517 200.221 88.006 -26.965 0.00 0.00 C ATOM 32459 C6 G A1517 200.474 88.988 -25.934 0.00 0.00 C ATOM 32460 O6 G A1517 201.228 89.958 -25.922 0.00 0.00 O ATOM 32461 N1 G A1517 199.762 88.761 -24.772 0.00 0.00 N ATOM 32462 C2 G A1517 198.980 87.665 -24.581 0.00 0.00 C ATOM 32463 N2 G A1517 198.407 87.603 -23.406 0.00 0.00 N ATOM 32464 N3 G A1517 198.748 86.710 -25.489 0.00 0.00 N ATOM 32465 C4 G A1517 199.390 86.941 -26.675 0.00 0.00 C ATOM 32466 P A A1518 194.653 85.289 -30.593 0.00 0.00 P ATOM 32467 O1P A A1518 193.468 84.539 -31.090 0.00 0.00 O ATOM 32468 O2P A A1518 195.384 86.177 -31.506 0.00 0.00 O ATOM 32469 O5* A A1518 194.184 86.212 -29.381 0.00 0.00 O ATOM 32470 C5* A A1518 193.517 85.729 -28.240 0.00 0.00 C ATOM 32471 C4* A A1518 193.643 86.781 -27.135 0.00 0.00 C ATOM 32472 O4* A A1518 194.991 86.872 -26.685 0.00 0.00 O ATOM 32473 C3* A A1518 193.205 88.194 -27.545 0.00 0.00 C ATOM 32474 O3* A A1518 191.793 88.335 -27.454 0.00 0.00 O ATOM 32475 C2* A A1518 193.979 88.995 -26.495 0.00 0.00 C ATOM 32476 O2* A A1518 193.339 88.917 -25.222 0.00 0.00 O ATOM 32477 C1* A A1518 195.316 88.237 -26.479 0.00 0.00 C ATOM 32478 N9 A A1518 196.260 88.728 -27.525 0.00 0.00 N ATOM 32479 C8 A A1518 196.560 88.231 -28.777 0.00 0.00 C ATOM 32480 N7 A A1518 197.490 88.888 -29.418 0.00 0.00 N ATOM 32481 C5 A A1518 197.831 89.908 -28.525 0.00 0.00 C ATOM 32482 C6 A A1518 198.761 90.976 -28.543 0.00 0.00 C ATOM 32483 N6 A A1518 199.614 91.228 -29.529 0.00 0.00 N ATOM 32484 N1 A A1518 198.823 91.826 -27.509 0.00 0.00 N ATOM 32485 C2 A A1518 198.022 91.614 -26.472 0.00 0.00 C ATOM 32486 N3 A A1518 197.132 90.642 -26.294 0.00 0.00 N ATOM 32487 C4 A A1518 197.080 89.820 -27.379 0.00 0.00 C ATOM 32488 P A A1519 190.882 88.934 -28.641 0.00 0.00 P ATOM 32489 O1P A A1519 189.535 88.331 -28.458 0.00 0.00 O ATOM 32490 O2P A A1519 191.601 88.803 -29.935 0.00 0.00 O ATOM 32491 O5* A A1519 190.806 90.509 -28.303 0.00 0.00 O ATOM 32492 C5* A A1519 190.043 91.002 -27.214 0.00 0.00 C ATOM 32493 C4* A A1519 190.801 92.079 -26.432 0.00 0.00 C ATOM 32494 O4* A A1519 192.128 91.624 -26.153 0.00 0.00 O ATOM 32495 C3* A A1519 190.962 93.461 -27.080 0.00 0.00 C ATOM 32496 O3* A A1519 189.877 94.401 -27.009 0.00 0.00 O ATOM 32497 C2* A A1519 192.103 93.961 -26.184 0.00 0.00 C ATOM 32498 O2* A A1519 191.607 94.264 -24.874 0.00 0.00 O ATOM 32499 C1* A A1519 193.017 92.732 -26.137 0.00 0.00 C ATOM 32500 N9 A A1519 193.971 92.693 -27.288 0.00 0.00 N ATOM 32501 C8 A A1519 193.937 91.943 -28.443 0.00 0.00 C ATOM 32502 N7 A A1519 194.939 92.149 -29.259 0.00 0.00 N ATOM 32503 C5 A A1519 195.681 93.141 -28.608 0.00 0.00 C ATOM 32504 C6 A A1519 196.852 93.878 -28.922 0.00 0.00 C ATOM 32505 N6 A A1519 197.559 93.739 -30.038 0.00 0.00 N ATOM 32506 N1 A A1519 197.338 94.775 -28.054 0.00 0.00 N ATOM 32507 C2 A A1519 196.693 94.948 -26.905 0.00 0.00 C ATOM 32508 N3 A A1519 195.598 94.327 -26.468 0.00 0.00 N ATOM 32509 C4 A A1519 195.122 93.442 -27.391 0.00 0.00 C ATOM 32510 P C A1520 188.967 94.784 -28.287 0.00 0.00 P ATOM 32511 O1P C A1520 188.320 96.110 -28.097 0.00 0.00 O ATOM 32512 O2P C A1520 188.104 93.608 -28.544 0.00 0.00 O ATOM 32513 O5* C A1520 190.016 94.937 -29.494 0.00 0.00 O ATOM 32514 C5* C A1520 191.183 95.739 -29.385 0.00 0.00 C ATOM 32515 C4* C A1520 192.331 95.206 -30.253 0.00 0.00 C ATOM 32516 O4* C A1520 192.396 93.783 -30.248 0.00 0.00 O ATOM 32517 C3* C A1520 192.288 95.658 -31.706 0.00 0.00 C ATOM 32518 O3* C A1520 192.841 96.964 -31.810 0.00 0.00 O ATOM 32519 C2* C A1520 193.130 94.537 -32.339 0.00 0.00 C ATOM 32520 O2* C A1520 194.523 94.690 -32.092 0.00 0.00 O ATOM 32521 C1* C A1520 192.695 93.293 -31.554 0.00 0.00 C ATOM 32522 N1 C A1520 191.533 92.544 -32.143 0.00 0.00 N ATOM 32523 C2 C A1520 191.683 91.843 -33.358 0.00 0.00 C ATOM 32524 O2 C A1520 192.740 91.848 -33.993 0.00 0.00 O ATOM 32525 N3 C A1520 190.638 91.127 -33.868 0.00 0.00 N ATOM 32526 C4 C A1520 189.491 91.091 -33.197 0.00 0.00 C ATOM 32527 N4 C A1520 188.493 90.417 -33.724 0.00 0.00 N ATOM 32528 C5 C A1520 189.297 91.747 -31.953 0.00 0.00 C ATOM 32529 C6 C A1520 190.346 92.438 -31.451 0.00 0.00 C ATOM 32530 P C A1521 192.708 97.862 -33.127 0.00 0.00 P ATOM 32531 O1P C A1521 193.449 99.120 -32.937 0.00 0.00 O ATOM 32532 O2P C A1521 191.286 98.003 -33.495 0.00 0.00 O ATOM 32533 O5* C A1521 193.428 97.036 -34.274 0.00 0.00 O ATOM 32534 C5* C A1521 194.832 96.986 -34.434 0.00 0.00 C ATOM 32535 C4* C A1521 195.132 96.168 -35.695 0.00 0.00 C ATOM 32536 O4* C A1521 194.665 94.823 -35.603 0.00 0.00 O ATOM 32537 C3* C A1521 194.456 96.777 -36.918 0.00 0.00 C ATOM 32538 O3* C A1521 195.175 97.914 -37.354 0.00 0.00 O ATOM 32539 C2* C A1521 194.459 95.563 -37.850 0.00 0.00 C ATOM 32540 O2* C A1521 195.726 95.290 -38.425 0.00 0.00 O ATOM 32541 C1* C A1521 194.154 94.423 -36.878 0.00 0.00 C ATOM 32542 N1 C A1521 192.692 94.105 -36.811 0.00 0.00 N ATOM 32543 C2 C A1521 192.137 93.221 -37.748 0.00 0.00 C ATOM 32544 O2 C A1521 192.754 92.873 -38.750 0.00 0.00 O ATOM 32545 N3 C A1521 190.874 92.740 -37.579 0.00 0.00 N ATOM 32546 C4 C A1521 190.155 93.171 -36.548 0.00 0.00 C ATOM 32547 N4 C A1521 188.949 92.673 -36.406 0.00 0.00 N ATOM 32548 C5 C A1521 190.632 94.150 -35.629 0.00 0.00 C ATOM 32549 C6 C A1521 191.898 94.600 -35.805 0.00 0.00 C ATOM 32550 P U A1522 194.475 99.092 -38.171 0.00 0.00 P ATOM 32551 O1P U A1522 195.506 100.115 -38.445 0.00 0.00 O ATOM 32552 O2P U A1522 193.208 99.453 -37.497 0.00 0.00 O ATOM 32553 O5* U A1522 194.123 98.369 -39.551 0.00 0.00 O ATOM 32554 C5* U A1522 195.142 98.018 -40.463 0.00 0.00 C ATOM 32555 C4* U A1522 194.595 97.065 -41.523 0.00 0.00 C ATOM 32556 O4* U A1522 194.160 95.819 -40.976 0.00 0.00 O ATOM 32557 C3* U A1522 193.383 97.597 -42.285 0.00 0.00 C ATOM 32558 O3* U A1522 193.680 98.650 -43.174 0.00 0.00 O ATOM 32559 C2* U A1522 192.954 96.285 -42.948 0.00 0.00 C ATOM 32560 O2* U A1522 193.905 95.868 -43.924 0.00 0.00 O ATOM 32561 C1* U A1522 193.033 95.359 -41.730 0.00 0.00 C ATOM 32562 N1 U A1522 191.756 95.378 -40.939 0.00 0.00 N ATOM 32563 C2 U A1522 190.718 94.542 -41.363 0.00 0.00 C ATOM 32564 O2 U A1522 190.726 93.952 -42.435 0.00 0.00 O ATOM 32565 N3 U A1522 189.629 94.409 -40.526 0.00 0.00 N ATOM 32566 C4 U A1522 189.427 95.085 -39.348 0.00 0.00 C ATOM 32567 O4 U A1522 188.410 94.862 -38.695 0.00 0.00 O ATOM 32568 C5 U A1522 190.483 96.024 -39.022 0.00 0.00 C ATOM 32569 C6 U A1522 191.580 96.161 -39.815 0.00 0.00 C ATOM 32570 P G A1523 192.520 99.560 -43.795 0.00 0.00 P ATOM 32571 O1P G A1523 193.234 100.608 -44.552 0.00 0.00 O ATOM 32572 O2P G A1523 191.616 99.998 -42.695 0.00 0.00 O ATOM 32573 O5* G A1523 191.692 98.565 -44.780 0.00 0.00 O ATOM 32574 C5* G A1523 192.252 97.968 -45.952 0.00 0.00 C ATOM 32575 C4* G A1523 191.242 97.029 -46.640 0.00 0.00 C ATOM 32576 O4* G A1523 190.790 95.993 -45.777 0.00 0.00 O ATOM 32577 C3* G A1523 189.983 97.736 -47.107 0.00 0.00 C ATOM 32578 O3* G A1523 190.233 98.457 -48.304 0.00 0.00 O ATOM 32579 C2* G A1523 189.013 96.552 -47.254 0.00 0.00 C ATOM 32580 O2* G A1523 189.176 95.835 -48.472 0.00 0.00 O ATOM 32581 C1* G A1523 189.454 95.628 -46.110 0.00 0.00 C ATOM 32582 N9 G A1523 188.604 95.756 -44.901 0.00 0.00 N ATOM 32583 C8 G A1523 188.887 96.440 -43.745 0.00 0.00 C ATOM 32584 N7 G A1523 187.968 96.352 -42.824 0.00 0.00 N ATOM 32585 C5 G A1523 186.989 95.543 -43.410 0.00 0.00 C ATOM 32586 C6 G A1523 185.716 95.091 -42.916 0.00 0.00 C ATOM 32587 O6 G A1523 185.180 95.271 -41.828 0.00 0.00 O ATOM 32588 N1 G A1523 185.003 94.348 -43.835 0.00 0.00 N ATOM 32589 C2 G A1523 185.474 94.000 -45.063 0.00 0.00 C ATOM 32590 N2 G A1523 184.681 93.246 -45.795 0.00 0.00 N ATOM 32591 N3 G A1523 186.657 94.390 -45.555 0.00 0.00 N ATOM 32592 C4 G A1523 187.371 95.173 -44.684 0.00 0.00 C ATOM 32593 P C A1524 189.581 99.897 -48.548 0.00 0.00 P ATOM 32594 O1P C A1524 189.971 100.375 -49.898 0.00 0.00 O ATOM 32595 O2P C A1524 189.829 100.726 -47.351 0.00 0.00 O ATOM 32596 O5* C A1524 188.033 99.501 -48.584 0.00 0.00 O ATOM 32597 C5* C A1524 187.509 98.810 -49.697 0.00 0.00 C ATOM 32598 C4* C A1524 186.023 98.524 -49.515 0.00 0.00 C ATOM 32599 O4* C A1524 185.762 97.522 -48.536 0.00 0.00 O ATOM 32600 C3* C A1524 185.223 99.759 -49.100 0.00 0.00 C ATOM 32601 O3* C A1524 185.102 100.676 -50.182 0.00 0.00 O ATOM 32602 C2* C A1524 183.940 99.036 -48.670 0.00 0.00 C ATOM 32603 O2* C A1524 183.231 98.594 -49.821 0.00 0.00 O ATOM 32604 C1* C A1524 184.505 97.811 -47.923 0.00 0.00 C ATOM 32605 N1 C A1524 184.705 98.046 -46.456 0.00 0.00 N ATOM 32606 C2 C A1524 183.704 97.664 -45.544 0.00 0.00 C ATOM 32607 O2 C A1524 182.620 97.210 -45.937 0.00 0.00 O ATOM 32608 N3 C A1524 183.928 97.766 -44.201 0.00 0.00 N ATOM 32609 C4 C A1524 185.095 98.261 -43.775 0.00 0.00 C ATOM 32610 N4 C A1524 185.349 98.303 -42.489 0.00 0.00 N ATOM 32611 C5 C A1524 186.131 98.661 -44.662 0.00 0.00 C ATOM 32612 C6 C A1524 185.896 98.548 -45.987 0.00 0.00 C ATOM 32613 P G A1525 184.766 102.229 -49.964 0.00 0.00 P ATOM 32614 O1P G A1525 184.632 102.788 -51.335 0.00 0.00 O ATOM 32615 O2P G A1525 185.794 102.801 -49.069 0.00 0.00 O ATOM 32616 O5* G A1525 183.346 102.245 -49.201 0.00 0.00 O ATOM 32617 C5* G A1525 182.133 102.031 -49.898 0.00 0.00 C ATOM 32618 C4* G A1525 180.946 101.907 -48.942 0.00 0.00 C ATOM 32619 O4* G A1525 181.078 100.757 -48.115 0.00 0.00 O ATOM 32620 C3* G A1525 180.740 103.085 -47.990 0.00 0.00 C ATOM 32621 O3* G A1525 180.228 104.272 -48.608 0.00 0.00 O ATOM 32622 C2* G A1525 179.786 102.377 -47.014 0.00 0.00 C ATOM 32623 O2* G A1525 178.482 102.207 -47.585 0.00 0.00 O ATOM 32624 C1* G A1525 180.443 100.997 -46.869 0.00 0.00 C ATOM 32625 N9 G A1525 181.469 100.953 -45.790 0.00 0.00 N ATOM 32626 C8 G A1525 182.810 101.240 -45.875 0.00 0.00 C ATOM 32627 N7 G A1525 183.455 101.169 -44.745 0.00 0.00 N ATOM 32628 C5 G A1525 182.472 100.806 -43.823 0.00 0.00 C ATOM 32629 C6 G A1525 182.537 100.621 -42.399 0.00 0.00 C ATOM 32630 O6 G A1525 183.500 100.733 -41.645 0.00 0.00 O ATOM 32631 N1 G A1525 181.313 100.299 -41.839 0.00 0.00 N ATOM 32632 C2 G A1525 180.173 100.123 -42.560 0.00 0.00 C ATOM 32633 N2 G A1525 179.095 99.802 -41.886 0.00 0.00 N ATOM 32634 N3 G A1525 180.079 100.280 -43.884 0.00 0.00 N ATOM 32635 C4 G A1525 181.260 100.640 -44.463 0.00 0.00 C ATOM 32636 P G A1526 180.469 105.724 -47.938 0.00 0.00 P ATOM 32637 O1P G A1526 179.854 106.785 -48.783 0.00 0.00 O ATOM 32638 O2P G A1526 181.886 105.868 -47.563 0.00 0.00 O ATOM 32639 O5* G A1526 179.622 105.607 -46.587 0.00 0.00 O ATOM 32640 C5* G A1526 178.225 105.396 -46.623 0.00 0.00 C ATOM 32641 C4* G A1526 177.691 105.054 -45.240 0.00 0.00 C ATOM 32642 O4* G A1526 178.266 103.894 -44.629 0.00 0.00 O ATOM 32643 C3* G A1526 177.840 106.191 -44.223 0.00 0.00 C ATOM 32644 O3* G A1526 176.971 107.284 -44.518 0.00 0.00 O ATOM 32645 C2* G A1526 177.455 105.359 -42.997 0.00 0.00 C ATOM 32646 O2* G A1526 176.066 105.080 -43.126 0.00 0.00 O ATOM 32647 C1* G A1526 178.268 104.067 -43.213 0.00 0.00 C ATOM 32648 N9 G A1526 179.687 104.117 -42.727 0.00 0.00 N ATOM 32649 C8 G A1526 180.835 104.355 -43.449 0.00 0.00 C ATOM 32650 N7 G A1526 181.942 104.372 -42.748 0.00 0.00 N ATOM 32651 C5 G A1526 181.517 104.017 -41.464 0.00 0.00 C ATOM 32652 C6 G A1526 182.262 103.829 -40.242 0.00 0.00 C ATOM 32653 O6 G A1526 183.474 103.931 -40.036 0.00 0.00 O ATOM 32654 N1 G A1526 181.454 103.556 -39.159 0.00 0.00 N ATOM 32655 C2 G A1526 180.100 103.453 -39.235 0.00 0.00 C ATOM 32656 N2 G A1526 179.469 103.312 -38.103 0.00 0.00 N ATOM 32657 N3 G A1526 179.378 103.602 -40.346 0.00 0.00 N ATOM 32658 C4 G A1526 180.140 103.881 -41.442 0.00 0.00 C ATOM 32659 P U A1527 177.094 108.726 -43.818 0.00 0.00 P ATOM 32660 O1P U A1527 175.966 109.546 -44.316 0.00 0.00 O ATOM 32661 O2P U A1527 178.476 109.250 -43.979 0.00 0.00 O ATOM 32662 O5* U A1527 176.905 108.514 -42.252 0.00 0.00 O ATOM 32663 C5* U A1527 175.685 108.186 -41.610 0.00 0.00 C ATOM 32664 C4* U A1527 175.941 108.108 -40.097 0.00 0.00 C ATOM 32665 O4* U A1527 176.788 107.013 -39.741 0.00 0.00 O ATOM 32666 C3* U A1527 176.634 109.356 -39.544 0.00 0.00 C ATOM 32667 O3* U A1527 175.771 110.471 -39.397 0.00 0.00 O ATOM 32668 C2* U A1527 177.172 108.787 -38.234 0.00 0.00 C ATOM 32669 O2* U A1527 176.118 108.587 -37.302 0.00 0.00 O ATOM 32670 C1* U A1527 177.672 107.414 -38.695 0.00 0.00 C ATOM 32671 N1 U A1527 179.093 107.393 -39.173 0.00 0.00 N ATOM 32672 C2 U A1527 180.101 107.174 -38.228 0.00 0.00 C ATOM 32673 O2 U A1527 179.882 107.098 -37.023 0.00 0.00 O ATOM 32674 N3 U A1527 181.393 107.042 -38.703 0.00 0.00 N ATOM 32675 C4 U A1527 181.787 107.115 -40.022 0.00 0.00 C ATOM 32676 O4 U A1527 182.965 106.946 -40.343 0.00 0.00 O ATOM 32677 C5 U A1527 180.698 107.339 -40.947 0.00 0.00 C ATOM 32678 C6 U A1527 179.417 107.464 -40.515 0.00 0.00 C ATOM 32679 P U A1528 176.373 111.921 -39.124 0.00 0.00 P ATOM 32680 O1P U A1528 175.276 112.912 -39.173 0.00 0.00 O ATOM 32681 O2P U A1528 177.555 112.098 -40.005 0.00 0.00 O ATOM 32682 O5* U A1528 176.922 111.881 -37.625 0.00 0.00 O ATOM 32683 C5* U A1528 176.122 111.838 -36.456 0.00 0.00 C ATOM 32684 C4* U A1528 177.049 112.252 -35.299 0.00 0.00 C ATOM 32685 O4* U A1528 178.141 111.338 -35.260 0.00 0.00 O ATOM 32686 C3* U A1528 177.602 113.668 -35.553 0.00 0.00 C ATOM 32687 O3* U A1528 177.111 114.757 -34.764 0.00 0.00 O ATOM 32688 C2* U A1528 179.120 113.473 -35.716 0.00 0.00 C ATOM 32689 O2* U A1528 179.959 114.331 -34.962 0.00 0.00 O ATOM 32690 C1* U A1528 179.386 112.009 -35.346 0.00 0.00 C ATOM 32691 N1 U A1528 180.321 111.329 -36.306 0.00 0.00 N ATOM 32692 C2 U A1528 181.564 110.890 -35.829 0.00 0.00 C ATOM 32693 O2 U A1528 181.926 111.045 -34.668 0.00 0.00 O ATOM 32694 N3 U A1528 182.424 110.307 -36.745 0.00 0.00 N ATOM 32695 C4 U A1528 182.204 110.180 -38.097 0.00 0.00 C ATOM 32696 O4 U A1528 183.073 109.710 -38.827 0.00 0.00 O ATOM 32697 C5 U A1528 180.903 110.647 -38.526 0.00 0.00 C ATOM 32698 C6 U A1528 180.025 111.206 -37.652 0.00 0.00 C ATOM 32699 P G A1529 176.846 114.786 -33.175 0.00 0.00 P ATOM 32700 O1P G A1529 175.376 114.860 -32.978 0.00 0.00 O ATOM 32701 O2P G A1529 177.603 115.911 -32.591 0.00 0.00 O ATOM 32702 O5* G A1529 177.312 113.453 -32.426 0.00 0.00 O ATOM 32703 C5* G A1529 176.988 113.285 -31.051 0.00 0.00 C ATOM 32704 C4* G A1529 177.948 112.381 -30.266 0.00 0.00 C ATOM 32705 O4* G A1529 177.283 111.154 -29.983 0.00 0.00 O ATOM 32706 C3* G A1529 179.266 112.069 -30.995 0.00 0.00 C ATOM 32707 O3* G A1529 180.389 112.162 -30.122 0.00 0.00 O ATOM 32708 C2* G A1529 178.980 110.636 -31.459 0.00 0.00 C ATOM 32709 O2* G A1529 180.148 109.871 -31.662 0.00 0.00 O ATOM 32710 C1* G A1529 178.128 110.075 -30.327 0.00 0.00 C ATOM 32711 N9 G A1529 177.327 108.864 -30.683 0.00 0.00 N ATOM 32712 C8 G A1529 177.439 107.593 -30.175 0.00 0.00 C ATOM 32713 N7 G A1529 176.565 106.741 -30.638 0.00 0.00 N ATOM 32714 C5 G A1529 175.814 107.486 -31.551 0.00 0.00 C ATOM 32715 C6 G A1529 174.703 107.122 -32.398 0.00 0.00 C ATOM 32716 O6 G A1529 174.101 106.052 -32.501 0.00 0.00 O ATOM 32717 N1 G A1529 174.273 108.167 -33.200 0.00 0.00 N ATOM 32718 C2 G A1529 174.810 109.425 -33.161 0.00 0.00 C ATOM 32719 N2 G A1529 174.321 110.352 -33.953 0.00 0.00 N ATOM 32720 N3 G A1529 175.829 109.791 -32.392 0.00 0.00 N ATOM 32721 C4 G A1529 176.292 108.782 -31.597 0.00 0.00 C ATOM 32722 P G A1530 181.092 113.575 -29.794 0.00 0.00 P ATOM 32723 O1P G A1530 182.394 113.318 -29.142 0.00 0.00 O ATOM 32724 O2P G A1530 180.158 114.391 -28.990 0.00 0.00 O ATOM 32725 O5* G A1530 181.344 114.310 -31.213 0.00 0.00 O ATOM 32726 C5* G A1530 182.053 113.695 -32.280 0.00 0.00 C ATOM 32727 C4* G A1530 183.582 113.748 -32.148 0.00 0.00 C ATOM 32728 O4* G A1530 184.128 112.793 -33.060 0.00 0.00 O ATOM 32729 C3* G A1530 184.192 115.107 -32.526 0.00 0.00 C ATOM 32730 O3* G A1530 184.149 116.098 -31.473 0.00 0.00 O ATOM 32731 C2* G A1530 185.579 114.640 -32.996 0.00 0.00 C ATOM 32732 O2* G A1530 186.446 114.420 -31.891 0.00 0.00 O ATOM 32733 C1* G A1530 185.325 113.276 -33.659 0.00 0.00 C ATOM 32734 N9 G A1530 185.157 113.316 -35.142 0.00 0.00 N ATOM 32735 C8 G A1530 183.977 113.428 -35.830 0.00 0.00 C ATOM 32736 N7 G A1530 184.090 113.360 -37.126 0.00 0.00 N ATOM 32737 C5 G A1530 185.455 113.139 -37.335 0.00 0.00 C ATOM 32738 C6 G A1530 186.207 112.923 -38.549 0.00 0.00 C ATOM 32739 O6 G A1530 185.830 112.895 -39.718 0.00 0.00 O ATOM 32740 N1 G A1530 187.562 112.723 -38.345 0.00 0.00 N ATOM 32741 C2 G A1530 188.132 112.716 -37.102 0.00 0.00 C ATOM 32742 N2 G A1530 189.426 112.459 -37.052 0.00 0.00 N ATOM 32743 N3 G A1530 187.468 112.906 -35.953 0.00 0.00 N ATOM 32744 C4 G A1530 186.122 113.116 -36.123 0.00 0.00 C ATOM 32745 P A A1531 184.578 117.651 -31.680 0.00 0.00 P ATOM 32746 O1P A A1531 183.847 118.541 -30.750 0.00 0.00 O ATOM 32747 O2P A A1531 184.429 117.931 -33.127 0.00 0.00 O ATOM 32748 O5* A A1531 186.119 117.867 -31.246 0.00 0.00 O ATOM 32749 C5* A A1531 186.571 117.640 -29.908 0.00 0.00 C ATOM 32750 C4* A A1531 188.108 117.609 -29.787 0.00 0.00 C ATOM 32751 O4* A A1531 188.619 116.452 -30.434 0.00 0.00 O ATOM 32752 C3* A A1531 188.826 118.830 -30.373 0.00 0.00 C ATOM 32753 O3* A A1531 188.949 119.890 -29.424 0.00 0.00 O ATOM 32754 C2* A A1531 190.172 118.228 -30.804 0.00 0.00 C ATOM 32755 O2* A A1531 191.122 118.227 -29.748 0.00 0.00 O ATOM 32756 C1* A A1531 189.785 116.789 -31.172 0.00 0.00 C ATOM 32757 N9 A A1531 189.469 116.648 -32.616 0.00 0.00 N ATOM 32758 C8 A A1531 188.235 116.599 -33.216 0.00 0.00 C ATOM 32759 N7 A A1531 188.257 116.401 -34.505 0.00 0.00 N ATOM 32760 C5 A A1531 189.622 116.334 -34.787 0.00 0.00 C ATOM 32761 C6 A A1531 190.378 116.162 -35.970 0.00 0.00 C ATOM 32762 N6 A A1531 189.876 116.041 -37.188 0.00 0.00 N ATOM 32763 N1 A A1531 191.710 116.128 -35.932 0.00 0.00 N ATOM 32764 C2 A A1531 192.298 116.291 -34.751 0.00 0.00 C ATOM 32765 N3 A A1531 191.724 116.479 -33.564 0.00 0.00 N ATOM 32766 C4 A A1531 190.367 116.484 -33.646 0.00 0.00 C ATOM 32767 P U A1532 188.830 121.424 -29.863 0.00 0.00 P ATOM 32768 O1P U A1532 189.264 122.311 -28.753 0.00 0.00 O ATOM 32769 O2P U A1532 187.473 121.562 -30.463 0.00 0.00 O ATOM 32770 O5* U A1532 189.911 121.554 -31.039 0.00 0.00 O ATOM 32771 C5* U A1532 191.312 121.581 -30.799 0.00 0.00 C ATOM 32772 C4* U A1532 192.059 121.714 -32.131 0.00 0.00 C ATOM 32773 O4* U A1532 191.995 120.505 -32.886 0.00 0.00 O ATOM 32774 C3* U A1532 191.496 122.821 -33.029 0.00 0.00 C ATOM 32775 O3* U A1532 191.865 124.124 -32.599 0.00 0.00 O ATOM 32776 C2* U A1532 192.078 122.352 -34.363 0.00 0.00 C ATOM 32777 O2* U A1532 193.460 122.648 -34.452 0.00 0.00 O ATOM 32778 C1* U A1532 191.918 120.822 -34.276 0.00 0.00 C ATOM 32779 N1 U A1532 190.630 120.316 -34.853 0.00 0.00 N ATOM 32780 C2 U A1532 190.630 119.744 -36.136 0.00 0.00 C ATOM 32781 O2 U A1532 191.645 119.422 -36.741 0.00 0.00 O ATOM 32782 N3 U A1532 189.398 119.482 -36.713 0.00 0.00 N ATOM 32783 C4 U A1532 188.182 119.577 -36.069 0.00 0.00 C ATOM 32784 O4 U A1532 187.148 119.328 -36.681 0.00 0.00 O ATOM 32785 C5 U A1532 188.272 119.991 -34.683 0.00 0.00 C ATOM 32786 C6 U A1532 189.459 120.349 -34.125 0.00 0.00 C ATOM 32787 P C A1533 191.234 125.451 -33.235 0.00 0.00 P ATOM 32788 O1P C A1533 191.750 126.587 -32.432 0.00 0.00 O ATOM 32789 O2P C A1533 189.743 125.320 -33.240 0.00 0.00 O ATOM 32790 O5* C A1533 191.770 125.597 -34.737 0.00 0.00 O ATOM 32791 C5* C A1533 190.875 125.694 -35.828 0.00 0.00 C ATOM 32792 C4* C A1533 191.595 125.963 -37.154 0.00 0.00 C ATOM 32793 O4* C A1533 192.430 127.126 -37.059 0.00 0.00 O ATOM 32794 C3* C A1533 192.458 124.805 -37.649 0.00 0.00 C ATOM 32795 O3* C A1533 191.762 123.804 -38.389 0.00 0.00 O ATOM 32796 C2* C A1533 193.456 125.590 -38.497 0.00 0.00 C ATOM 32797 O2* C A1533 192.943 126.088 -39.728 0.00 0.00 O ATOM 32798 C1* C A1533 193.699 126.832 -37.644 0.00 0.00 C ATOM 32799 N1 C A1533 194.816 126.651 -36.663 0.00 0.00 N ATOM 32800 C2 C A1533 196.099 126.431 -37.182 0.00 0.00 C ATOM 32801 O2 C A1533 196.304 126.465 -38.393 0.00 0.00 O ATOM 32802 N3 C A1533 197.152 126.279 -36.349 0.00 0.00 N ATOM 32803 C4 C A1533 196.985 126.401 -35.049 0.00 0.00 C ATOM 32804 N4 C A1533 198.108 126.269 -34.394 0.00 0.00 N ATOM 32805 C5 C A1533 195.729 126.780 -34.471 0.00 0.00 C ATOM 32806 C6 C A1533 194.664 126.873 -35.312 0.00 0.00 C ATOM 32807 P A A1534 192.463 122.374 -38.674 0.00 0.00 P ATOM 32808 O1P A A1534 191.485 121.484 -39.360 0.00 0.00 O ATOM 32809 O2P A A1534 193.115 121.971 -37.404 0.00 0.00 O ATOM 32810 O5* A A1534 193.629 122.715 -39.737 0.00 0.00 O ATOM 32811 C5* A A1534 193.355 123.017 -41.096 0.00 0.00 C ATOM 32812 C4* A A1534 194.667 123.203 -41.872 0.00 0.00 C ATOM 32813 O4* A A1534 195.459 124.237 -41.297 0.00 0.00 O ATOM 32814 C3* A A1534 195.535 121.942 -41.884 0.00 0.00 C ATOM 32815 O3* A A1534 195.130 120.956 -42.827 0.00 0.00 O ATOM 32816 C2* A A1534 196.918 122.545 -42.157 0.00 0.00 C ATOM 32817 O2* A A1534 197.134 122.821 -43.540 0.00 0.00 O ATOM 32818 C1* A A1534 196.830 123.849 -41.343 0.00 0.00 C ATOM 32819 N9 A A1534 197.378 123.676 -39.969 0.00 0.00 N ATOM 32820 C8 A A1534 196.908 122.924 -38.915 0.00 0.00 C ATOM 32821 N7 A A1534 197.679 122.929 -37.859 0.00 0.00 N ATOM 32822 C5 A A1534 198.718 123.790 -38.223 0.00 0.00 C ATOM 32823 C6 A A1534 199.874 124.290 -37.572 0.00 0.00 C ATOM 32824 N6 A A1534 200.245 124.010 -36.331 0.00 0.00 N ATOM 32825 N1 A A1534 200.713 125.113 -38.207 0.00 0.00 N ATOM 32826 C2 A A1534 200.424 125.444 -39.458 0.00 0.00 C ATOM 32827 N3 A A1534 199.383 125.068 -40.197 0.00 0.00 N ATOM 32828 C4 A A1534 198.547 124.240 -39.508 0.00 0.00 C TER 32829 A A1534 MASTER 163 0 0 83 88 0 0 650835 20 0 301 END ./arbsrc_9167/lib/rna3d/Ecoli_1PNU_23S_rRNA.pdb0000644012664100000130002310720511213220015020547 0ustar arb_buildcodersHEADER RIBOSOME 13-JUN-03 1PNU TITLE CRYSTAL STRUCTURE OF A STREPTOMYCIN DEPENDENT RIBOSOME FROM TITLE 2 ESCHERICHIA COLI, 50S SUBUNIT OF 70S RIBOSOME. THIS FILE, TITLE 3 1PNU, CONTAINS ONLY MOLECULES OF THE 50S RIBOSOMAL TITLE 4 SUBUNIT. THE 30S SUBUNIT, MRNA, P-SITE TRNA, AND A-SITE TITLE 5 TRNA ARE IN THE PDB FILE 1PNS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 23S RIBOSOMAL RNA; COMPND 3 CHAIN: 0; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: 5S RIBOSOMAL RNA; COMPND 6 CHAIN: 9; COMPND 7 MOL_ID: 3; COMPND 8 MOLECULE: 50S RIBOSOMAL PROTEIN L2; COMPND 9 CHAIN: A; COMPND 10 MOL_ID: 4; COMPND 11 MOLECULE: 50S RIBOSOMAL PROTEIN L3; COMPND 12 CHAIN: B; COMPND 13 MOL_ID: 5; COMPND 14 MOLECULE: 50S RIBOSOMAL PROTEIN L4; COMPND 15 CHAIN: C; COMPND 16 MOL_ID: 6; COMPND 17 MOLECULE: 50S RIBOSOMAL PROTEIN L5; COMPND 18 CHAIN: D; COMPND 19 MOL_ID: 7; COMPND 20 MOLECULE: 50S RIBOSOMAL PROTEIN L6; COMPND 21 CHAIN: E; COMPND 22 MOL_ID: 8; COMPND 23 MOLECULE: 50S RIBOSOMAL PROTEIN L9; COMPND 24 CHAIN: F; COMPND 25 MOL_ID: 9; COMPND 26 MOLECULE: 50S RIBOSOMAL PROTEIN L11; COMPND 27 CHAIN: G; COMPND 28 MOL_ID: 10; COMPND 29 MOLECULE: 50S RIBOSOMAL PROTEIN L13; COMPND 30 CHAIN: H; COMPND 31 MOL_ID: 11; COMPND 32 MOLECULE: 50S RIBOSOMAL PROTEIN L14; COMPND 33 CHAIN: I; COMPND 34 MOL_ID: 12; COMPND 35 MOLECULE: 50S RIBOSOMAL PROTEIN L15; COMPND 36 CHAIN: J; COMPND 37 MOL_ID: 13; COMPND 38 MOLECULE: 50S RIBOSOMAL PROTEIN L16; COMPND 39 CHAIN: K; COMPND 40 MOL_ID: 14; COMPND 41 MOLECULE: 50S RIBOSOMAL PROTEIN L17; COMPND 42 CHAIN: L; COMPND 43 MOL_ID: 15; COMPND 44 MOLECULE: 50S RIBOSOMAL PROTEIN L18; COMPND 45 CHAIN: M; COMPND 46 MOL_ID: 16; COMPND 47 MOLECULE: 50S RIBOSOMAL PROTEIN L19; COMPND 48 CHAIN: N; COMPND 49 MOL_ID: 17; COMPND 50 MOLECULE: 50S RIBOSOMAL PROTEIN L20; COMPND 51 CHAIN: O; COMPND 52 MOL_ID: 18; COMPND 53 MOLECULE: 50S RIBOSOMAL PROTEIN L21; COMPND 54 CHAIN: P; COMPND 55 MOL_ID: 19; COMPND 56 MOLECULE: 50S RIBOSOMAL PROTEIN L22; COMPND 57 CHAIN: Q; COMPND 58 MOL_ID: 20; COMPND 59 MOLECULE: 50S RIBOSOMAL PROTEIN L23; COMPND 60 CHAIN: R; COMPND 61 MOL_ID: 21; COMPND 62 MOLECULE: 50S RIBOSOMAL PROTEIN L24; COMPND 63 CHAIN: S; COMPND 64 MOL_ID: 22; COMPND 65 MOLECULE: GENERAL STRESS PROTEIN CTC; COMPND 66 CHAIN: T; COMPND 67 MOL_ID: 23; COMPND 68 MOLECULE: 50S RIBOSOMAL PROTEIN L27; COMPND 69 CHAIN: U; COMPND 70 MOL_ID: 24; COMPND 71 MOLECULE: 50S RIBOSOMAL PROTEIN L28; COMPND 72 CHAIN: V; COMPND 73 MOL_ID: 25; COMPND 74 MOLECULE: 50S RIBOSOMAL PROTEIN L29; COMPND 75 CHAIN: W; COMPND 76 MOL_ID: 26; COMPND 77 MOLECULE: 50S RIBOSOMAL PROTEIN L30; COMPND 78 CHAIN: X; COMPND 79 MOL_ID: 27; COMPND 80 MOLECULE: 50S RIBOSOMAL PROTEIN L31; COMPND 81 CHAIN: Y; COMPND 82 MOL_ID: 28; COMPND 83 MOLECULE: 50S RIBOSOMAL PROTEIN L32; COMPND 84 CHAIN: Z; COMPND 85 MOL_ID: 29; COMPND 86 MOLECULE: 50S RIBOSOMAL PROTEIN L33; COMPND 87 CHAIN: 1; COMPND 88 MOL_ID: 30; COMPND 89 MOLECULE: 50S RIBOSOMAL PROTEIN L34; COMPND 90 CHAIN: 2; COMPND 91 MOL_ID: 31; COMPND 92 MOLECULE: 50S RIBOSOMAL PROTEIN L35; COMPND 93 CHAIN: 3; COMPND 94 MOL_ID: 32; COMPND 95 MOLECULE: 50S RIBOSOMAL PROTEIN L36; COMPND 96 CHAIN: 4; COMPND 97 MOL_ID: 33; COMPND 98 MOLECULE: 50S RIBOSOMAL PROTEIN L1P; COMPND 99 CHAIN: 5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: BACTERIA; SOURCE 4 MOL_ID: 2; SOURCE 5 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 6 ORGANISM_COMMON: BACTERIA; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 9 ORGANISM_COMMON: BACTERIA; SOURCE 10 MOL_ID: 4; SOURCE 11 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 12 ORGANISM_COMMON: BACTERIA; SOURCE 13 MOL_ID: 5; SOURCE 14 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 15 ORGANISM_COMMON: BACTERIA; SOURCE 16 MOL_ID: 6; SOURCE 17 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 18 ORGANISM_COMMON: BACTERIA; SOURCE 19 MOL_ID: 7; SOURCE 20 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 21 ORGANISM_COMMON: BACTERIA; SOURCE 22 MOL_ID: 8; SOURCE 23 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 24 ORGANISM_COMMON: BACTERIA; SOURCE 25 MOL_ID: 9; SOURCE 26 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 27 ORGANISM_COMMON: BACTERIA; SOURCE 28 MOL_ID: 10; SOURCE 29 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 30 ORGANISM_COMMON: BACTERIA; SOURCE 31 MOL_ID: 11; SOURCE 32 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 33 ORGANISM_COMMON: BACTERIA; SOURCE 34 MOL_ID: 12; SOURCE 35 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 36 ORGANISM_COMMON: BACTERIA; SOURCE 37 MOL_ID: 13; SOURCE 38 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 39 ORGANISM_COMMON: BACTERIA; SOURCE 40 MOL_ID: 14; SOURCE 41 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 42 ORGANISM_COMMON: BACTERIA; SOURCE 43 MOL_ID: 15; SOURCE 44 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 45 ORGANISM_COMMON: BACTERIA; SOURCE 46 MOL_ID: 16; SOURCE 47 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 48 ORGANISM_COMMON: BACTERIA; SOURCE 49 MOL_ID: 17; SOURCE 50 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 51 ORGANISM_COMMON: BACTERIA; SOURCE 52 MOL_ID: 18; SOURCE 53 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 54 ORGANISM_COMMON: BACTERIA; SOURCE 55 MOL_ID: 19; SOURCE 56 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 57 ORGANISM_COMMON: BACTERIA; SOURCE 58 MOL_ID: 20; SOURCE 59 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 60 ORGANISM_COMMON: BACTERIA; SOURCE 61 MOL_ID: 21; SOURCE 62 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 63 ORGANISM_COMMON: BACTERIA; SOURCE 64 MOL_ID: 22; SOURCE 65 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 66 ORGANISM_COMMON: BACTERIA; SOURCE 67 MOL_ID: 23; SOURCE 68 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 69 ORGANISM_COMMON: BACTERIA; SOURCE 70 MOL_ID: 24; SOURCE 71 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 72 ORGANISM_COMMON: BACTERIA; SOURCE 73 MOL_ID: 25; SOURCE 74 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 75 ORGANISM_COMMON: BACTERIA; SOURCE 76 MOL_ID: 26; SOURCE 77 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 78 ORGANISM_COMMON: BACTERIA; SOURCE 79 MOL_ID: 27; SOURCE 80 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 81 ORGANISM_COMMON: BACTERIA; SOURCE 82 MOL_ID: 28; SOURCE 83 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 84 ORGANISM_COMMON: BACTERIA; SOURCE 85 MOL_ID: 29; SOURCE 86 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 87 ORGANISM_COMMON: BACTERIA; SOURCE 88 MOL_ID: 30; SOURCE 89 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 90 ORGANISM_COMMON: BACTERIA; SOURCE 91 MOL_ID: 31; SOURCE 92 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 93 ORGANISM_COMMON: BACTERIA; SOURCE 94 MOL_ID: 32; SOURCE 95 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 96 ORGANISM_COMMON: BACTERIA; SOURCE 97 MOL_ID: 33; SOURCE 98 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 99 ORGANISM_COMMON: BACTERIA KEYWDS 50S RIBOSOMAL SUBUNIT, PROTEIN-PROTEIN COMPLEX, RNA-RNA KEYWDS 2 COMPLEX, PROTEIN-RNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.VILA-SANJURJO,W.K.RIDGEWAY,V.SEYMANER,W.ZHANG,S.SANTOSO, AUTHOR 2 K.YU,J.H.D.CATE REVDAT 2 06-APR-04 1PNU 1 DBREF REMARK REVDAT 1 15-JUL-03 1PNU 0 JRNL AUTH A.VILA-SANJURJO,W.K.RIDGEWAY,V.SEYMANER,W.ZHANG, JRNL AUTH 2 S.SANTOSO,K.YU,J.H.D.CATE JRNL TITL X-RAY CRYSTAL STRUCTURES OF THE WT AND A JRNL TITL 2 HYPER-ACCURATE RIBOSOME FROM ESCHERICHIA COLI JRNL REF PROC.NAT.ACAD.SCI.USA V. 100 8682 2003 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 8.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NA REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 8.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 70.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.5 REMARK 3 NUMBER OF REFLECTIONS : 36338 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.394 REMARK 3 FREE R VALUE : 0.415 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1781 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3605 REMARK 3 NUCLEIC ACID ATOMS : 63155 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 0.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 648.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : GROUPED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 89 RIGID BODIES REFINEMENT, GROUPED REMARK 3 B-FACTOR REFINEMENT. THERE ARE MANY LONG O3'-P DISTANCES IN REMARK 3 THIS ENTRY. COORDINATES USED FOR SOLVING AND REFINING THIS REMARK 3 STRUCTURE COMES FROM PDB ENTRY, 1LNR, WHERE THE SEQUENCE REMARK 3 REPRESENTS THAT OF DEINOCOCCUS RADIODURANS. REMARK 4 REMARK 4 1PNU COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY THE NUCLEIC ACID DATABASE REMARK 100 ON 19-JUN-2003. REMARK 100 THE NDB ID CODE IS RR0073. REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-AUG-2002 REMARK 200 TEMPERATURE (KELVIN) : 110.0 REMARK 200 PH : 6.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1, 8.2.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.1 REMARK 200 MONOCHROMATOR : SI 111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC Q315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 36338 REMARK 200 RESOLUTION RANGE HIGH (A) : 8.700 REMARK 200 RESOLUTION RANGE LOW (A) : 175.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 200 DATA REDUNDANCY : 5.200 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.15000 REMARK 200 FOR THE DATA SET : 9.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 8.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 8.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.2 REMARK 200 DATA REDUNDANCY IN SHELL : 5.20 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.63500 REMARK 200 FOR SHELL : 2.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRIES 1J5E, 1LNR REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: MPD, ETHANOL, MAGNESIUM CHLORIDE, REMARK 280 AMMONIUM CHLORIDE, SPERMINE, SPERMIDINE, MES , PH 6.5, VAPOR REMARK 280 DIFFUSION, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 9555 1/2+X,1/2+Y,1/2+Z REMARK 290 10555 1/2-X,1/2-Y,1/2+Z REMARK 290 11555 1/2-Y,1/2+X,1/2+Z REMARK 290 12555 1/2+Y,1/2-X,1/2+Z REMARK 290 13555 1/2-X,1/2+Y,1/2-Z REMARK 290 14555 1/2+X,1/2-Y,1/2-Z REMARK 290 15555 1/2+Y,1/2+X,1/2-Z REMARK 290 16555 1/2-Y,1/2-X,1/2-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 341.16000 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 193.18000 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 341.16000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 193.18000 REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 341.16000 REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 193.18000 REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 341.16000 REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 193.18000 REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 341.16000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 193.18000 REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 341.16000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 193.18000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 341.16000 REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 193.18000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 341.16000 REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 341.16000 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 193.18000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 33CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: 0, 9, A, B, C, D, E, F, G, REMARK 350 H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, REMARK 350 1, 2, 3, 4, 5 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 PDB ENTRIES 1PNS AND 1PNU REPRESENT ONE CRYSTAL STRUCTURE REMARK 400 OF THE E. COLI 70S RIBOSOME. REMARK 400 THIS FILE, 1PNU, CONTAINS ONLY MOLECULES OF THE 50S REMARK 400 RIBOSOMAL SUBUNIT. THE 30S SUBUNIT, MRNA, P-SITE TRNA, AND REMARK 400 A-SITE TRNA ARE IN THE PDB FILE 1PNS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 A 0 249 REMARK 465 C 0 250 REMARK 465 C 0 251 REMARK 465 G 0 252 REMARK 465 A 0 253 REMARK 465 A 0 254 REMARK 465 A 0 255 REMARK 465 C 0 256 REMARK 465 G 0 257 REMARK 465 C 0 258 REMARK 465 U 0 259 REMARK 465 U 0 260 REMARK 465 G 0 261 REMARK 465 C 0 262 REMARK 465 G 0 263 REMARK 465 U 0 264 REMARK 465 U 0 265 REMARK 465 U 0 266 REMARK 465 C 0 267 REMARK 465 G 0 268 REMARK 465 G 0 269 REMARK 465 G 0 270 REMARK 465 G 0 271 REMARK 465 U 0 272 REMARK 465 U 0 273 REMARK 465 G 0 274 REMARK 465 U 0 275 REMARK 465 A 0 276 REMARK 465 G 0 277 REMARK 465 G 0 278 REMARK 465 A 0 279 REMARK 465 C 0 280 REMARK 465 C 0 281 REMARK 465 A 0 282 REMARK 465 G 0 283 REMARK 465 U 0 284 REMARK 465 U 0 285 REMARK 465 U 0 286 REMARK 465 U 0 287 REMARK 465 U 0 288 REMARK 465 A 0 289 REMARK 465 A 0 290 REMARK 465 G 0 291 REMARK 465 C 0 374 REMARK 465 U 0 375 REMARK 465 G 0 376 REMARK 465 G 0 377 REMARK 465 C 0 378 REMARK 465 A 0 379 REMARK 465 C 0 380 REMARK 465 C 0 381 REMARK 465 U 0 382 REMARK 465 G 0 383 REMARK 465 A 0 384 REMARK 465 G 0 385 REMARK 465 U 0 386 REMARK 465 U 0 2775 REMARK 465 U 0 2776 REMARK 465 A 0 2777 REMARK 465 C 0 2878 REMARK 465 U 0 2879 REMARK 465 C 0 2880 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI REMARK 500 O1P U 0 3109 P C 0 3150 0.46 REMARK 500 C3* G 0 1912 O5* G 0 1913 0.59 REMARK 500 O4* A 0 3875 CA LYS 5 43 0.60 REMARK 500 C1* G 0 1912 O2P G 0 1913 0.62 REMARK 500 N4 C 0 3111 C5* G 0 3148 0.62 REMARK 500 C4 U 0 3118 O3* G 0 3148 0.85 REMARK 500 O2P A 0 3876 CA ASP 5 40 0.86 REMARK 500 C1* G 0 1912 P G 0 1913 0.91 REMARK 500 O3* A 0 3877 C5* G 0 1861 0.98 REMARK 500 N6 A 0 3877 O6 G 0 1861 0.99 REMARK 500 C4 U 0 3118 P G 0 3149 0.99 REMARK 500 C2* A 0 3877 O4* G 0 1861 1.01 REMARK 500 C4* G 0 1912 O5* G 0 1913 1.02 REMARK 500 C1* A 0 3875 CA LYS 5 43 1.07 REMARK 500 P U 0 3109 O1P C 0 3150 1.08 REMARK 500 O4* G 0 1912 P G 0 1913 1.11 REMARK 500 C5* G 0 1912 O4* G 0 1913 1.12 REMARK 500 O1P U 0 3109 O1P C 0 3150 1.13 REMARK 500 C4 G 0 1912 O1P G 0 1913 1.15 REMARK 500 O4 U 0 3118 P G 0 3149 1.16 REMARK 500 C5* G 0 1912 C4* G 0 1913 1.26 REMARK 500 O4 U 0 3118 O5* G 0 3149 1.26 REMARK 500 O3* A 0 3877 CA ASN 5 199 1.28 REMARK 500 C3* A 0 3877 O4* G 0 1861 1.29 REMARK 500 C6 A 0 3877 C6 G 0 1861 1.33 REMARK 500 C5 C 0 3111 C4* G 0 3148 1.34 REMARK 500 C1* G 0 3127 C2 A 0 3173 1.35 REMARK 500 C4* A 0 3875 CA LYS 5 43 1.36 REMARK 500 O2* G 0 3127 C2 A 0 3173 1.38 REMARK 500 N1 A 0 3877 N1 G 0 1861 1.40 REMARK 500 C2* G 0 1912 O2P G 0 1913 1.43 REMARK 500 C4 C 0 3111 C4* G 0 3148 1.43 REMARK 500 C4 C 0 3111 C5* G 0 3148 1.44 REMARK 500 O1P A 0 3877 CA ILE 5 39 1.45 REMARK 500 N9 G 0 1912 O1P G 0 1913 1.45 REMARK 500 O4 U 0 3118 O3* G 0 3148 1.46 REMARK 500 C2* G 0 3127 C2 A 0 3173 1.46 REMARK 500 N3 G 0 1067 N6 A 0 1114 1.47 REMARK 500 N6 A 0 3877 C6 G 0 1861 1.47 REMARK 500 C8 A 0 3876 CA ASP 5 45 1.48 REMARK 500 C5* G 0 1912 C5* G 0 1913 1.48 REMARK 500 N4 C 0 3111 C4* G 0 3148 1.48 REMARK 500 P A 0 3876 CA ASP 5 40 1.49 REMARK 500 C5 U 0 3118 P G 0 3149 1.49 REMARK 500 C5 U 0 3118 O1P G 0 3149 1.49 REMARK 500 O3* A 0 3877 C4* G 0 1861 1.50 REMARK 500 P A 0 3877 CA ILE 5 39 1.51 REMARK 500 N9 G 0 1912 P G 0 1913 1.52 REMARK 500 N3 U 0 3118 O3* G 0 3148 1.53 REMARK 500 O3* A 0 3876 CA ILE 5 39 1.56 REMARK 500 C5* U 0 3109 O2* G 0 3149 1.56 REMARK 500 N3 G 0 1912 O1P G 0 1913 1.58 REMARK 500 O1P G 0 3110 O2* G 0 3148 1.58 REMARK 500 O5* G 0 1912 C5* G 0 1913 1.61 REMARK 500 O2P U 0 3109 O1P C 0 3150 1.61 REMARK 500 C3* G 0 1912 C5* G 0 1913 1.62 REMARK 500 C5 A 0 3877 C5 G 0 1861 1.63 REMARK 500 N9 A 0 3876 CA ASP 5 45 1.64 REMARK 500 N7 A 0 3877 N7 G 0 1861 1.67 REMARK 500 C4* G 0 1912 C5* G 0 1913 1.68 REMARK 500 N9 G 0 1912 O2P G 0 1913 1.68 REMARK 500 C5 U 0 1856 N6 A 0 3865 1.69 REMARK 500 C2* A 0 3877 C1* G 0 1861 1.69 REMARK 500 C6 A 0 3877 N1 G 0 1861 1.69 REMARK 500 N1 A 0 891 N6 A 0 892 1.70 REMARK 500 C2* G 0 1912 O5* G 0 1913 1.70 REMARK 500 C5 U 0 3118 O3* G 0 3148 1.72 REMARK 500 N2 G 0 3867 CA GLY 5 44 1.75 REMARK 500 C4 U 0 3118 O1P G 0 3149 1.75 REMARK 500 O2* G 0 3128 C5* C 0 3174 1.75 REMARK 500 C2 A 0 3877 C2 G 0 1861 1.76 REMARK 500 C2* G 0 1912 P G 0 1913 1.76 REMARK 500 N1 A 0 3877 C2 G 0 1861 1.77 REMARK 500 O2* A 0 3866 CA ALA 5 194 1.79 REMARK 500 O1P U 0 3109 O2P C 0 3150 1.79 REMARK 500 C2* A 0 3875 CA LYS 5 43 1.80 REMARK 500 O3* A 0 3877 O4* G 0 1861 1.81 REMARK 500 C3* A 0 3875 CA LYS 5 43 1.82 REMARK 500 O4* G 0 1912 O5* G 0 1913 1.83 REMARK 500 O4 U 0 3118 C3* G 0 3148 1.84 REMARK 500 O4 U 0 1119 N4 C 0 1120 1.86 REMARK 500 O2* G 0 3127 N1 A 0 3173 1.86 REMARK 500 P U 0 3109 P C 0 3150 1.87 REMARK 500 C4* G 0 1912 P G 0 1913 1.88 REMARK 500 O1P U 0 3109 O5* C 0 3150 1.88 REMARK 500 O1P G 0 3110 C2* G 0 3148 1.88 REMARK 500 N2 G 0 1098 N4 C 0 1113 1.89 REMARK 500 O2* A 0 3877 O4* G 0 1861 1.89 REMARK 500 O1P U 0 3109 O3* G 0 3149 1.90 REMARK 500 C2 A 0 891 C6 A 0 892 1.91 REMARK 500 C6 A 0 3877 O6 G 0 1861 1.95 REMARK 500 N2 G 0 1066 N3 C 0 1115 1.96 REMARK 500 O1P G 0 1861 CA LYS 5 37 1.96 REMARK 500 C5* G 0 1861 CA ASN 5 199 1.96 REMARK 500 C4* G 0 1912 O4* G 0 1913 1.96 REMARK 500 N2 G 0 1098 N3 C 0 1113 1.97 REMARK 500 O2P G 0 1861 CA GLY 5 38 1.97 REMARK 500 O4* G 0 1912 O2P G 0 1913 1.97 REMARK 500 C4 U 0 3118 O5* G 0 3149 1.98 REMARK 500 O4 U 0 3118 O2P G 0 3149 1.98 REMARK 500 C3* A 0 3877 CA ASN 5 199 1.99 REMARK 500 C6 A 0 3877 C5 G 0 1861 1.99 REMARK 500 C4 A 0 3877 C4 G 0 1861 2.00 REMARK 500 C4* A 0 3877 CA ASN 5 199 2.02 REMARK 500 N4 C 0 3111 O5* G 0 3148 2.03 REMARK 500 C2 A 0 891 N6 A 0 892 2.04 REMARK 500 O5* A 0 3876 CA ASP 5 40 2.04 REMARK 500 O4* A 0 3876 CA ASP 5 45 2.05 REMARK 500 C4* G 0 1912 C4* G 0 1913 2.05 REMARK 500 C2 G 0 1067 N6 A 0 1114 2.06 REMARK 500 N9 A 0 3875 CA LYS 5 43 2.06 REMARK 500 C8 A 0 3877 C8 G 0 1861 2.06 REMARK 500 C5 A 0 3877 C6 G 0 1861 2.06 REMARK 500 O4* G 0 3127 N1 A 0 3173 2.06 REMARK 500 C1* G 0 3127 N1 A 0 3173 2.06 REMARK 500 N7 A 0 3877 C5 G 0 1861 2.07 REMARK 500 O3* G 0 3101 C5* G 0 3102 2.07 REMARK 500 C5 C 0 3111 O4* G 0 3148 2.07 REMARK 500 N3 U 0 3118 O2* G 0 3148 2.08 REMARK 500 N3 A 0 3877 N3 G 0 1861 2.09 REMARK 500 O2* G 0 1912 O2P G 0 1913 2.09 REMARK 500 O2* G 0 3108 O2P U 0 3109 2.09 REMARK 500 C5* G 0 1912 O5* G 0 1913 2.10 REMARK 500 O2* G 0 3127 N3 A 0 3173 2.10 REMARK 500 C4 U 0 3118 C3* G 0 3148 2.11 REMARK 500 O4 U 0 3118 C5* G 0 3149 2.11 REMARK 500 N3 U 0 1072 CA LEU G 10 2.12 REMARK 500 C2 A 0 3877 N3 G 0 1861 2.12 REMARK 500 C1* G 0 1912 O5* G 0 1913 2.12 REMARK 500 O3* U 0 2075 C5* C 0 3093 2.12 REMARK 500 C1* G 0 1912 O1P G 0 1913 2.13 REMARK 500 N1 G 0 1066 N4 C 0 1115 2.14 REMARK 500 C1* A 0 3876 CA ASP 5 45 2.14 REMARK 500 C3* A 0 3877 C4* G 0 1861 2.15 REMARK 500 C5 A 0 3877 C4 G 0 1861 2.15 REMARK 500 N1 A 0 3877 C6 G 0 1861 2.15 REMARK 500 C5* G 0 3128 O2* C 0 3174 2.15 REMARK 500 C4 C 0 3111 O5* G 0 3148 2.16 REMARK 500 C5 U 0 3118 O2P G 0 3149 2.16 REMARK 500 C6 U 0 3118 O1P G 0 3149 2.16 REMARK 500 C4* G 0 3128 C4* C 0 3174 2.16 REMARK 500 C5 U 0 1856 C6 A 0 3865 2.17 REMARK 500 N6 A 0 3866 CA GLY 5 44 2.18 REMARK 500 O2* C 0 1090 CA GLY G 129 2.19 REMARK 500 C4 U 0 1856 N6 A 0 3865 2.19 REMARK 500 P A 0 3877 O2P G 0 1861 2.19 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 C5 C 0 2769 C6 A 0 2877 16555 2.07 REMARK 500 N4 C 0 2769 N3 A 0 2877 16555 2.08 REMARK 500 N3 G 0 1 N6 A 0 2770 16555 2.14 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PNS RELATED DB: PDB REMARK 900 30S SUBUNIT OF STREPTOMYCIN DEPENDENT E. COLI 70S RIBOSOME REMARK 900 RELATED ID: 1PNX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE WILD TYPE RIBOSOME FROM E. COLI, REMARK 900 30S SUBUNIT OF 70S RIBOSOME REMARK 900 RELATED ID: 1PNY RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE WILD TYPE RIBOSOME FROM E. COLI, REMARK 900 50S SUBUNIT OF 70S RIBOSOME REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE PROTEIN STRUCTURES CONTAIN CA ATOMS ONLY REMARK 999 THE RESIDUES IN CHAIN V ARE LISTED AS UNK BECAUSE THE REMARK 999 RESIDUE IDENTITY HAS NOT BEEN ASSIGNED. THE SEQUENCE FOR REMARK 999 CHAIN V IS MSRECYLTGK KNLVVNSVIR RGKARADGGV GRKTTGITKRVQ REMARK 999 RANLHKKAIR ENGQVKTVWL SANALRTLSK GPYKGIELI. ONLY 16 REMARK 999 RESIDUES OF CHAIN V ARE PRESENT IN THE FILE. REMARK 999 23S RRNA IN THIS ENTRY WAS OBTAINED FROM E. COLI (DBREF: REMARK 999 GB|147581|J01695) AND WAS MODELLED USING PDB ENTRY 1LNR REMARK 999 WHICH WAS OBTAINED FROM DEINOCOCCUS RADIODURANS (DBREF: GB| REMARK 999 1580504|NC_001263). THE SEQUENCE IN THIS ENTRY HAS REMARK 999 INSERTION COMPARED TO GB|1580504 AND CANNOT MATCH TO GB| REMARK 999 147581. REMARK 999 THE 50S SUBUNIT IS DERIVED MAINLY FROM 1LNR, THE REMARK 999 DEINOCOCCUS RADIODURANS 50 SUBUNIT, WITH MODIFICATIONS TO REMARK 999 THE RRNA TO MAKE IT MATCH E. COLI INSERTIONS AND DELETIONS. REMARK 999 THE SEQUENCE OF THIS SUBUNIT REPRESENT THAT OF PDB ENTRY, REMARK 999 1LNR. AS A RESULT, NO DBREF WAS PROVIDED. SEQRES 1 0 2887 G G U C A A G A U A G U A SEQRES 2 0 2887 A G G G U C C A C G G U G SEQRES 3 0 2887 G A U G C C C U G G C G C SEQRES 4 0 2887 U G G A G C C G A U G A A SEQRES 5 0 2887 G G A C G C G A U U A C C SEQRES 6 0 2887 U G C G A A A A G C C C C SEQRES 7 0 2887 G A C G A G C U G G A G A SEQRES 8 0 2887 U A C G C U U U G A C U C SEQRES 9 0 2887 G G G G A U G U C C G A A SEQRES 10 0 2887 U G G G G A A A C C C A C SEQRES 11 0 2887 C U C G U A A G A G G U A SEQRES 12 0 2887 U C C G C A A G G A U G G SEQRES 13 0 2887 G A A C U C A G G G A A C SEQRES 14 0 2887 U G A A A C A U C U C A G SEQRES 15 0 2887 U A C C U G A A G G A G A SEQRES 16 0 2887 A G A A A G A G A A U U C SEQRES 17 0 2887 G A U U C C G U U A G U A SEQRES 18 0 2887 G C G G C G A G C G A A C SEQRES 19 0 2887 C C G G A U C A G C C C A SEQRES 20 0 2887 A A C C G A A A C G C U U SEQRES 21 0 2887 G C G U U U C G G G G U U SEQRES 22 0 2887 G U A G G A C C A G U U U SEQRES 23 0 2887 U U A A G A U U C A A C C SEQRES 24 0 2887 C C U C A A G C C G A A G SEQRES 25 0 2887 U G G C U G G A A A G C U SEQRES 26 0 2887 A C A C C U C A G A A G G SEQRES 27 0 2887 U G A G A G U C C U G U A SEQRES 28 0 2887 G G C G A A C G A G C G G SEQRES 29 0 2887 U U G A C U G U A C U G G SEQRES 30 0 2887 C A C C U G A G U A G G U SEQRES 31 0 2887 C G U U G U U C G U G A A SEQRES 32 0 2887 A C G A U G A C U G A A U SEQRES 33 0 2887 C C G C G C G G A C C A C SEQRES 34 0 2887 C G C G C A A G G C U A A SEQRES 35 0 2887 A U A C U C C C A G U G A SEQRES 36 0 2887 C C G A U A G C G C A U A SEQRES 37 0 2887 G U A C C G U G A G G G A SEQRES 38 0 2887 A A G G U G A A A A G A A SEQRES 39 0 2887 C C C C G G G A G G G G A SEQRES 40 0 2887 G U G A A A G A G A A C C SEQRES 41 0 2887 U G A A A C C G U G G A C SEQRES 42 0 2887 U U A C A A G C A G U C A SEQRES 43 0 2887 U G G C A C C U U A U G C SEQRES 44 0 2887 G U G U U A U G G C G U G SEQRES 45 0 2887 C C U A U U G A A G C A U SEQRES 46 0 2887 G A G C C G G C G A C U U SEQRES 47 0 2887 A G A C C U G A C G U G C SEQRES 48 0 2887 G A G C U U A A G U U G A SEQRES 49 0 2887 A A A A C G G A G G C G G SEQRES 50 0 2887 A G C G A A A G C G A G U SEQRES 51 0 2887 C C G A A U A G G G C G G SEQRES 52 0 2887 C A U U A G U A C G U C G SEQRES 53 0 2887 G G C U A G A C U C G A A SEQRES 54 0 2887 A C C A G G U G A G C U A SEQRES 55 0 2887 A G C A U G A C C A G G U SEQRES 56 0 2887 U G A A A C C C C C G U G SEQRES 57 0 2887 A C A G G G G G C G G A G SEQRES 58 0 2887 G A C C G A A C C G G U G SEQRES 59 0 2887 C C U G C U G A A A C A G SEQRES 60 0 2887 U C U C G G A U G A G U U SEQRES 61 0 2887 G U G U U U A G G A G U G SEQRES 62 0 2887 A A A A G C U A A C C G A SEQRES 63 0 2887 A C C U G G A G A U A G C SEQRES 64 0 2887 U A G U U C U C C C C G A SEQRES 65 0 2887 A A U G U A U U G A G G U SEQRES 66 0 2887 A C A G C C U C G G A U G SEQRES 67 0 2887 U U G A C C A U G U C C U SEQRES 68 0 2887 G U A G A G C A C U C A C SEQRES 69 0 2887 A A G G C U A A G G G C A SEQRES 70 0 2887 C G U A A U G U G U U C U SEQRES 71 0 2887 A A A C C U U A U G A A A SEQRES 72 0 2887 C U C C G A A G G G G C A SEQRES 73 0 2887 C G C G U U U A G U C C G SEQRES 74 0 2887 G G A G U G A G G C U G C SEQRES 75 0 2887 G A G A G C U A A C U U C SEQRES 76 0 2887 C G U A G C C G A G A G G SEQRES 77 0 2887 G A A A C A A C C C A G A SEQRES 78 0 2887 C C A U C A G C U A A G G SEQRES 79 0 2887 U C C C U A A A U G A U C SEQRES 80 0 2887 G C U C A G U G G U U A A SEQRES 81 0 2887 G G A U G U G U C G U C G SEQRES 82 0 2887 C A U A G A C A G C C A G SEQRES 83 0 2887 G A G G U U G G C U U A G SEQRES 84 0 2887 A A G C A G C C A C C C U SEQRES 85 0 2887 U C A A A G A G U G C G U SEQRES 86 0 2887 A A U A G C U C A C U G G SEQRES 87 0 2887 U C G A G U G A C G A U G SEQRES 88 0 2887 C G C C G A A A A U G A U SEQRES 89 0 2887 C G G G G C U C A A G U G SEQRES 90 0 2887 A U C U A C C G A A G C U SEQRES 91 0 2887 A U G G A U U C A A C U C SEQRES 92 0 2887 G C G A A G C G A G U U G SEQRES 93 0 2887 U C U G G U A G G G G A G SEQRES 94 0 2887 C G U U C A G U C C G C G SEQRES 95 0 2887 G A G A A G C C A U A C C SEQRES 96 0 2887 G G A A G G A G U G G U G SEQRES 97 0 2887 G A G C C G A C U G A A G SEQRES 98 0 2887 U G C G G A U G C C G G C SEQRES 99 0 2887 A U G A G U A A C G A U A SEQRES 10 0 2887 A A A G A A G U G A G A A SEQRES 10 0 2887 U C U U C U U C G C C G U SEQRES 10 0 2887 A A G G A C A A G G G U U SEQRES 10 0 2887 C C U G G G G A A G G G U SEQRES 10 0 2887 C G U C C G C C C A G G G SEQRES 10 0 2887 A A A G U C G G G A C C U SEQRES 10 0 2887 A A G G U G A G G C C G A SEQRES 10 0 2887 A C G G C G C A G C C G A SEQRES 10 0 2887 U G G A C A G C A G G U C SEQRES 10 0 2887 A A G A U U C C U G C A C SEQRES 11 0 2887 C G A U C A U G U G G A G SEQRES 11 0 2887 U G A U G G A G G G A C G SEQRES 11 0 2887 C A U U A C G C U A U C C SEQRES 11 0 2887 A A U G C C A A G C U A U SEQRES 11 0 2887 G G C U A U G C U G G U U SEQRES 11 0 2887 G G U A C G C U C A A G G SEQRES 11 0 2887 G C G A U C G G G U C A G SEQRES 11 0 2887 A A A A U C U A C C G G U SEQRES 11 0 2887 C A C A U G C C U C A G A SEQRES 11 0 2887 C G U A U C G G G A G C U SEQRES 12 0 2887 U C C U C G G A A G C G A SEQRES 12 0 2887 A G U U G G A A A C G C G SEQRES 12 0 2887 A C G G U G C C A A G A A SEQRES 12 0 2887 A A G C U U C U A A A C G SEQRES 12 0 2887 U U G A A A C A U G A U U SEQRES 12 0 2887 G C C C G U A C C G C A A SEQRES 12 0 2887 A C C G A C A C A G G U G SEQRES 12 0 2887 U C C G A G U G U C A A U SEQRES 12 0 2887 G C A C U A A G G C G C G SEQRES 12 0 2887 C G A G A G A A C C C U C SEQRES 13 0 2887 G U U A A G G A A C U U U SEQRES 13 0 2887 G C A A U C U C A C C C C SEQRES 13 0 2887 G U A A C U U C G G A A G SEQRES 13 0 2887 A A G G G G U C C C C A C SEQRES 13 0 2887 G C U U C G C G U G G G G SEQRES 13 0 2887 C G C A G U G A A U A G G SEQRES 13 0 2887 C C C A G G C G A C U G U SEQRES 13 0 2887 U U A C C A A A A U C A C SEQRES 13 0 2887 A G C A C U C U G C C A A SEQRES 13 0 2887 C A C G A A C A G U G G A SEQRES 14 0 2887 C G U A U A G G G U G U G SEQRES 14 0 2887 A C G C C U G C C C G G U SEQRES 14 0 2887 G C C G G A A G G U C A A SEQRES 14 0 2887 G U G G A G C G G U A A G SEQRES 14 0 2887 U G C A A G C A A A G C U SEQRES 14 0 2887 G C G A A A U G A A G C C SEQRES 14 0 2887 C C G G U G A A C G G C G SEQRES 14 0 2887 G C C G U A A C U A U A A SEQRES 14 0 2887 C G G U C C U A A G G U A SEQRES 14 0 2887 G C G A A A U U C C U U G SEQRES 15 0 2887 U C G G G U A A G U U C C SEQRES 15 0 2887 G A C C U G C A C G A A A SEQRES 15 0 2887 G G C G U A A C G A U C U SEQRES 15 0 2887 G G G C G C U G U C U C A SEQRES 15 0 2887 A C G A G G G A C U C G G SEQRES 15 0 2887 U G A A A U U G A A U U G SEQRES 15 0 2887 G C U G U A A A G A U G C SEQRES 15 0 2887 G G C C U A C C C G U A G SEQRES 15 0 2887 C A G G A C G A A A A G A SEQRES 15 0 2887 C C C C G U G G A G C U U SEQRES 16 0 2887 U A C U A U A G U C U G G SEQRES 16 0 2887 C A U U C A A C G U U G G SEQRES 16 0 2887 G A C G U G G U G C G U A SEQRES 16 0 2887 G G A U A G G U G G G A G SEQRES 16 0 2887 G C G A A G A A C C C U G SEQRES 16 0 2887 G C U A C G G C U G G G G SEQRES 16 0 2887 G G A G C C G C C G G U G SEQRES 16 0 2887 A A A U A C C A C C C U C SEQRES 16 0 2887 U A C U C U U U G A C G U SEQRES 16 0 2887 U G U A A C C U G A A A A SEQRES 17 0 2887 A U C A C U U U C G G G G SEQRES 17 0 2887 A C C G U G C U U G G C G SEQRES 17 0 2887 G G U A G U U U G A C U G SEQRES 17 0 2887 G G G C G G U C G C C U C SEQRES 17 0 2887 C C A A A A U G U A A C G SEQRES 17 0 2887 G A G G C G C C C A A A G SEQRES 17 0 2887 G U C A C C U C A A G A C SEQRES 17 0 2887 G G U U G G A A A U C G U SEQRES 17 0 2887 C U G U A G A G C G C A A SEQRES 17 0 2887 A G G U A G A A G G U G G SEQRES 18 0 2887 C U U G A C U G C G A G A SEQRES 18 0 2887 C U G A C A C G U C G A G SEQRES 18 0 2887 C A G G G A G G A A A C U SEQRES 18 0 2887 C G G G C U U A G U G A A SEQRES 18 0 2887 C C G G U G G U A C C G U SEQRES 18 0 2887 G U G G A A G G G C C A U SEQRES 18 0 2887 C G A U C A A C G G A U A SEQRES 18 0 2887 A A A G U U A C C C C G G SEQRES 18 0 2887 G G A U A A C A G G C U G SEQRES 18 0 2887 A U C U C C C C C G A G A SEQRES 19 0 2887 G U C C A U A U C G G C G SEQRES 19 0 2887 G G G A G G U U U G G C A SEQRES 19 0 2887 C C U C G A U G U C G G C SEQRES 19 0 2887 U C G U C G C A U C C U G SEQRES 19 0 2887 G G G C U G A A G A A G G SEQRES 19 0 2887 U C C C A A G G G U U G G SEQRES 19 0 2887 G C U G U U C G C C C A U SEQRES 19 0 2887 U A A A G C G G C A C G C SEQRES 19 0 2887 G A G C U G G G U U C A G SEQRES 19 0 2887 A A C G U C G U G A G A C SEQRES 20 0 2887 A G U U C G G U C U C U A SEQRES 20 0 2887 U C C G C U A C G G G C G SEQRES 20 0 2887 C A G G A G A A U U G A G SEQRES 20 0 2887 G G G A G U U G C U C C U SEQRES 20 0 2887 A G U A C G A G A G G A C SEQRES 20 0 2887 C G G A G U G A A C G G A SEQRES 20 0 2887 C C G C U G G U C U C C C SEQRES 20 0 2887 U G C U G U C G U A C C A SEQRES 20 0 2887 A C G G C A C A U G C A G SEQRES 20 0 2887 G G U A G C U A U G U C C SEQRES 21 0 2887 G G A A C G G A U A A C C SEQRES 21 0 2887 G C U G A A A G C A U C U SEQRES 21 0 2887 A A G C G G G A A G C C A SEQRES 21 0 2887 G C C C C A A G A U G A G SEQRES 21 0 2887 U U C U C C C A C U G U U SEQRES 21 0 2887 U A U C A G G U A A G A C SEQRES 21 0 2887 U C C C G G A A G A C C A SEQRES 21 0 2887 C C G G G U U A A G A G G SEQRES 21 0 2887 C C A G G C G U G C A C G SEQRES 21 0 2887 C A U A G C A A U G U G U SEQRES 22 0 2887 U C A G C G G A C U G G U SEQRES 22 0 2887 G C U C A U C A G U C G A SEQRES 22 0 2887 G G U C U U G A C C A C U SEQRES 22 0 2887 C SEQRES 1 9 118 C C C C C G U G C C C A U SEQRES 2 9 118 A G C A C U G U G G A A C SEQRES 3 9 118 C A C C C C A C C C C A U SEQRES 4 9 118 G C C G A A C U G G G U C SEQRES 5 9 118 G U G A A A C A C A G C A SEQRES 6 9 118 G C G C C A A U G A U A C SEQRES 7 9 118 U C G G A C C G C A G G G SEQRES 8 9 118 U C C C G G A A A A G U C SEQRES 9 9 118 G G U C A G C G C G G G G SEQRES 10 9 118 G SEQRES 1 A 270 LYS LYS TYR ARG PRO TYR THR PRO SER ARG ARG GLN MET SEQRES 2 A 270 THR THR ALA ASP PHE SER GLY LEU THR LYS LYS ARG PRO SEQRES 3 A 270 GLU LYS ALA LEU THR GLU ALA LEU PRO LYS THR GLY GLY SEQRES 4 A 270 ARG ASN ASN ARG GLY ARG ILE THR SER ARG PHE ILE GLY SEQRES 5 A 270 GLY GLY HIS LYS ARG LEU TYR ARG ILE ILE ASP PHE LYS SEQRES 6 A 270 ARG ARG ASP LYS SER GLY VAL ASN ALA LYS VAL ALA ALA SEQRES 7 A 270 ILE GLU TYR ASP PRO ASN ARG SER ALA ARG ILE ALA LEU SEQRES 8 A 270 LEU HIS TYR ALA ASP GLY GLU LYS ARG TYR ILE LEU ALA SEQRES 9 A 270 PRO GLU GLY LEU THR VAL GLY ALA THR VAL ASN ALA GLY SEQRES 10 A 270 PRO GLU ALA GLU PRO LYS LEU GLY ASN ALA LEU PRO LEU SEQRES 11 A 270 ARG PHE VAL PRO VAL GLY ALA VAL VAL HIS ALA LEU GLU SEQRES 12 A 270 LEU VAL PRO GLY LYS GLY ALA GLN LEU ALA ARG SER ALA SEQRES 13 A 270 GLY THR SER VAL GLN VAL GLN GLY LYS GLU SER ASP TYR SEQRES 14 A 270 VAL ILE VAL ARG LEU PRO SER GLY GLU LEU ARG ARG VAL SEQRES 15 A 270 HIS SER GLU CYS TYR ALA THR ILE GLY ALA VAL GLY ASN SEQRES 16 A 270 ALA GLU HIS LYS ASN ILE VAL LEU GLY LYS ALA GLY ARG SEQRES 17 A 270 SER ARG TRP LEU GLY ARG LYS PRO HIS GLN ARG GLY SER SEQRES 18 A 270 ALA MET ASN PRO VAL ASP HIS PRO HIS GLY GLY GLY GLU SEQRES 19 A 270 GLY ARG THR GLY ALA GLY ARG VAL PRO VAL THR PRO TRP SEQRES 20 A 270 GLY LYS PRO THR LYS GLY LEU LYS THR ARG ARG LYS ARG SEQRES 21 A 270 LYS THR SER ASP ARG PHE ILE VAL THR ARG SEQRES 1 B 205 MET LYS GLY ILE LEU GLY THR LYS ILE GLY MET THR GLN SEQRES 2 B 205 ILE TRP LYS ASN ASP ARG ALA ILE PRO VAL THR VAL VAL SEQRES 3 B 205 LEU ALA GLY PRO CYS PRO ILE VAL GLN ARG LYS THR ALA SEQRES 4 B 205 GLN THR ASP GLY TYR GLU ALA VAL GLN ILE GLY TYR ALA SEQRES 5 B 205 PRO LYS ALA GLU ARG LYS VAL ASN LYS PRO MET GLN GLY SEQRES 6 B 205 HIS PHE ALA LYS ALA GLY VAL ALA PRO THR ARG ILE LEU SEQRES 7 B 205 ARG GLU PHE ARG GLY PHE ALA PRO ASP GLY ASP SER VAL SEQRES 8 B 205 ASN VAL ASP ILE PHE ALA GLU GLY GLU LYS ILE ASP ALA SEQRES 9 B 205 THR GLY THR SER LYS GLY LYS GLY THR GLN GLY VAL MET SEQRES 10 B 205 LYS ARG TRP ASN PHE ALA GLY GLY PRO ALA SER HIS GLY SEQRES 11 B 205 SER LYS LYS TRP HIS ARG ARG PRO GLY SER ILE GLY GLN SEQRES 12 B 205 ARG LYS THR PRO GLY ARG VAL TYR LYS GLY LYS ARG MET SEQRES 13 B 205 ALA GLY HIS MET GLY MET GLU ARG VAL THR VAL GLN ASN SEQRES 14 B 205 LEU GLU VAL VAL GLU ILE ARG ALA GLY GLU ASN LEU ILE SEQRES 15 B 205 LEU VAL LYS GLY ALA ILE PRO GLY ALA ASN GLY GLY LEU SEQRES 16 B 205 VAL VAL LEU ARG SER ALA ALA LYS ALA SER SEQRES 1 C 197 ALA GLN ILE ASN VAL ILE GLY GLN ASN GLY GLY ARG THR SEQRES 2 C 197 ILE GLU LEU PRO LEU PRO GLU VAL ASN SER GLY VAL LEU SEQRES 3 C 197 HIS GLU VAL VAL THR TRP GLN LEU ALA SER ARG ARG ARG SEQRES 4 C 197 GLY THR ALA SER THR ARG THR ARG ALA GLN VAL SER LYS SEQRES 5 C 197 THR GLY ARG LYS MET TYR GLY GLN LYS GLY THR GLY ASN SEQRES 6 C 197 ALA ARG HIS GLY ASP ARG SER VAL PRO THR PHE VAL GLY SEQRES 7 C 197 GLY GLY VAL ALA PHE GLY PRO LYS PRO ARG SER TYR ASP SEQRES 8 C 197 TYR THR LEU PRO ARG GLN VAL ARG GLN LEU GLY LEU ALA SEQRES 9 C 197 MET ALA ILE ALA SER ARG GLN GLU GLY GLY LYS LEU VAL SEQRES 10 C 197 ALA VAL ASP GLY PHE ASP ILE ALA ASP ALA LYS THR LYS SEQRES 11 C 197 ASN PHE ILE SER TRP ALA LYS GLN ASN GLY LEU ASP GLY SEQRES 12 C 197 THR GLU LYS VAL LEU LEU VAL THR ASP ASP GLU ASN THR SEQRES 13 C 197 ARG ARG ALA ALA ARG ASN VAL SER TRP VAL SER VAL LEU SEQRES 14 C 197 PRO VAL ALA GLY VAL ASN VAL TYR ASP ILE LEU ARG HIS SEQRES 15 C 197 ASP ARG LEU VAL ILE ASP ALA ALA ALA LEU GLU ILE VAL SEQRES 16 C 197 GLU GLU SEQRES 1 D 178 GLN GLN LEU LYS THR LYS TYR ASN ASP GLN VAL ARG PRO SEQRES 2 D 178 ALA LEU MET GLN GLN PHE GLY TYR SER SER VAL MET ALA SEQRES 3 D 178 VAL PRO ARG ILE GLU LYS ILE VAL VAL ASN GLU GLY LEU SEQRES 4 D 178 GLY SER SER LYS GLU ASP SER LYS ALA ILE ASP LYS ALA SEQRES 5 D 178 ALA LYS GLU LEU ALA LEU ILE THR LEU GLN LYS PRO ILE SEQRES 6 D 178 ILE THR LYS ALA LYS LYS SER ILE SER ASN PHE LYS LEU SEQRES 7 D 178 ARG GLN GLY MET PRO VAL GLY ILE LYS VAL THR LEU ARG SEQRES 8 D 178 GLY GLU ARG MET TYR VAL PHE LEU GLU LYS LEU ILE ASN SEQRES 9 D 178 ILE GLY LEU PRO ARG ILE ARG ASP PHE ARG GLY ILE ASN SEQRES 10 D 178 PRO ASN ALA PHE ASP GLY ARG GLY ASN TYR ASN LEU GLY SEQRES 11 D 178 ILE LYS GLU GLN LEU ILE PHE PRO GLU ILE THR TYR ASP SEQRES 12 D 178 MET VAL ASP LYS THR ARG GLY MET ASP ILE THR ILE VAL SEQRES 13 D 178 THR THR ALA LYS THR ASP GLU GLU ALA ARG ALA LEU LEU SEQRES 14 D 178 GLN SER MET GLY LEU PRO PHE ARG LYS SEQRES 1 E 177 GLY LYS GLN PRO ILE ALA VAL PRO SER GLY VAL THR VAL SEQRES 2 E 177 ASN ALA GLN ASP GLY VAL PHE LYS VAL LYS GLY PRO LYS SEQRES 3 E 177 GLY GLU LEU THR VAL PRO TYR ASN THR GLU LEU THR VAL SEQRES 4 E 177 ARG GLN ASP GLY ASP GLN LEU LEU VAL GLU ARG PRO SER SEQRES 5 E 177 ASP ALA GLN LYS HIS ARG ALA LEU HIS GLY LEU THR ARG SEQRES 6 E 177 THR LEU VAL ALA ASN ALA VAL LYS GLY VAL SER ASP GLY SEQRES 7 E 177 TYR THR ILE ASN LEU GLU LEU ARG GLY VAL GLY PHE ARG SEQRES 8 E 177 ALA LYS LEU THR GLY LYS ALA LEU GLU MET ASN ILE GLY SEQRES 9 E 177 TYR SER HIS PRO VAL ILE ILE GLU PRO PRO ALA GLY VAL SEQRES 10 E 177 THR PHE ALA VAL PRO GLU PRO THR ARG ILE ASP VAL SER SEQRES 11 E 177 GLY ILE ASP LYS GLN LEU VAL GLY GLN VAL ALA ALA ASN SEQRES 12 E 177 VAL ARG LYS VAL ARG LYS PRO ASP ALA TYR HIS GLY LYS SEQRES 13 E 177 GLY VAL ARG PHE VAL GLY GLU GLN ILE ALA LEU LYS ALA SEQRES 14 E 177 GLY LYS ALA GLY ALA THR GLY GLY SEQRES 1 F 52 MET GLN VAL ILE LEU LEU GLU PRO SER ARG LEU GLY LYS SEQRES 2 F 52 THR GLY GLU VAL VAL SER VAL LYS ASP GLY TYR ALA ARG SEQRES 3 F 52 ASN TRP LEU ILE PRO GLN GLY LEU ALA VAL SER ALA THR SEQRES 4 F 52 ARG THR ASN MET LYS THR LEU GLU ALA GLN LEU ARG SER SEQRES 1 G 143 MET LYS LYS VAL ALA GLY ILE VAL LYS LEU GLN LEU PRO SEQRES 2 G 143 ALA GLY LYS ALA THR PRO ALA PRO PRO VAL GLY PRO ALA SEQRES 3 G 143 LEU GLY GLN TYR GLY ALA ASN ILE MET GLU PHE THR LYS SEQRES 4 G 143 ALA PHE ASN ALA GLN THR ALA ASP LYS GLY ASP ALA ILE SEQRES 5 G 143 ILE PRO VAL GLU ILE THR ILE TYR ALA ASP ARG SER PHE SEQRES 6 G 143 THR PHE ILE THR LYS THR PRO PRO MET SER TYR LEU ILE SEQRES 7 G 143 ARG LYS ALA ALA GLY ILE GLY LYS GLY SER SER THR PRO SEQRES 8 G 143 ASN LYS ALA LYS VAL GLY LYS LEU ASN TRP ASP GLN VAL SEQRES 9 G 143 LEU GLU ILE ALA LYS THR LYS MET PRO ASP LEU ASN ALA SEQRES 10 G 143 GLY SER VAL GLU ALA ALA ALA ASN THR VAL ALA GLY THR SEQRES 11 G 143 ALA ARG SER MET GLY VAL THR VAL GLU GLY GLY PRO ASN SEQRES 1 H 143 VAL LYS THR TYR ILE PRO LYS ASN ASP GLU GLN ASN TRP SEQRES 2 H 143 VAL VAL VAL ASP ALA SER GLY VAL PRO LEU GLY ARG LEU SEQRES 3 H 143 ALA THR LEU ILE ALA SER ARG ILE ARG GLY LYS HIS ARG SEQRES 4 H 143 PRO ASP PHE THR PRO ASN MET ILE GLN GLY ASP PHE VAL SEQRES 5 H 143 VAL VAL ILE ASN ALA ALA GLN VAL ALA LEU THR GLY LYS SEQRES 6 H 143 LYS LEU ASP ASP LYS VAL TYR THR ARG TYR THR GLY TYR SEQRES 7 H 143 GLN GLY GLY LEU LYS THR GLU THR ALA ARG GLU ALA LEU SEQRES 8 H 143 SER LYS HIS PRO GLU ARG VAL ILE GLU HIS ALA VAL PHE SEQRES 9 H 143 GLY MET LEU PRO LYS GLY ARG GLN GLY ARG ALA MET HIS SEQRES 10 H 143 THR ARG LEU LYS VAL TYR ALA GLY GLU THR HIS PRO HIS SEQRES 11 H 143 SER ALA GLN LYS PRO GLN VAL LEU LYS THR GLN PRO LEU SEQRES 1 I 132 ILE MET PRO GLN SER ARG LEU ASP VAL ALA ASP ASN SER SEQRES 2 I 132 GLY ALA ARG GLU ILE MET CYS ILE ARG VAL LEU ASN SER SEQRES 3 I 132 GLY ILE GLY GLY LYS GLY LEU THR THR GLY GLY GLY GLY SEQRES 4 I 132 ASN LYS ARG TYR ALA HIS VAL GLY ASP ILE ILE VAL ALA SEQRES 5 I 132 SER VAL LYS ASP ALA ALA PRO ARG GLY ALA VAL LYS ALA SEQRES 6 I 132 GLY ASP VAL VAL LYS ALA VAL VAL VAL ARG THR SER HIS SEQRES 7 I 132 ALA ILE LYS ARG ALA ASP GLY SER THR ILE ARG PHE ASP SEQRES 8 I 132 ARG ASN ALA ALA VAL ILE ILE ASN ASN GLN GLY GLU PRO SEQRES 9 I 132 ARG GLY THR ARG VAL PHE GLY PRO VAL ALA ARG GLU LEU SEQRES 10 I 132 ARG ASP ARG ARG PHE MET LYS ILE VAL SER LEU ALA PRO SEQRES 11 I 132 GLU VAL SEQRES 1 J 141 HIS ASP LEU LYS PRO THR PRO GLY SER ARG LYS ASP ARG SEQRES 2 J 141 LYS ARG VAL GLY ARG GLY PRO GLY GLY THR ASP LYS THR SEQRES 3 J 141 ALA GLY ARG GLY HIS LYS GLY GLN LYS SER ARG SER GLY SEQRES 4 J 141 ALA GLY LYS GLY ALA PHE PHE GLU GLY GLY ARG SER ARG SEQRES 5 J 141 LEU ILE ALA ARG LEU PRO LYS ARG GLY PHE ASN ASN VAL SEQRES 6 J 141 GLY THR THR TYR GLU VAL VAL LYS LEU SER GLN LEU GLN SEQRES 7 J 141 ASP LEU GLU ASP THR THR PHE ASP ARG ASP THR LEU GLU SEQRES 8 J 141 ALA TYR ARG LEU VAL ARG ARG LYS ASN ARG PRO VAL LYS SEQRES 9 J 141 LEU LEU ALA SER GLY GLU ILE SER ARG ALA VAL THR VAL SEQRES 10 J 141 HIS VAL ASP ALA ALA SER ALA ALA ALA ILE LYS ALA VAL SEQRES 11 J 141 GLU ALA ALA GLY GLY ARG VAL VAL LEU PRO GLU SEQRES 1 K 124 THR LYS PHE ARG LYS GLN PHE ARG GLY ARG MET THR GLY SEQRES 2 K 124 ASP ALA LYS GLY GLY ASP TYR VAL ALA PHE GLY ASP TYR SEQRES 3 K 124 GLY LEU ILE ALA MET GLU PRO ALA TRP ILE LYS SER ASN SEQRES 4 K 124 GLN ILE GLU ALA CYS ARG ILE VAL MET SER ARG HIS PHE SEQRES 5 K 124 ARG ARG GLY GLY LYS ILE TYR ILE ARG ILE PHE PRO ASP SEQRES 6 K 124 LYS PRO VAL THR LYS LYS PRO ALA GLU THR ARG MET GLY SEQRES 7 K 124 LYS GLY LYS GLY ALA VAL GLU TYR TRP VAL SER VAL VAL SEQRES 8 K 124 LYS PRO GLY ARG VAL MET PHE GLU VAL ALA GLY VAL THR SEQRES 9 K 124 GLU GLU GLN ALA LYS GLU ALA PHE ARG LEU ALA GLY HIS SEQRES 10 K 124 LYS LEU PRO ILE GLN THR LYS SEQRES 1 L 114 HIS GLY LYS ALA GLY ARG LYS LEU ASN ARG ASN SER SER SEQRES 2 L 114 ALA ARG VAL ALA LEU ALA ARG ALA GLN ALA THR ALA LEU SEQRES 3 L 114 LEU ARG GLU GLY ARG ILE GLN THR THR LEU THR LYS ALA SEQRES 4 L 114 LYS GLU LEU ARG PRO PHE VAL GLU GLN LEU ILE THR THR SEQRES 5 L 114 ALA LYS GLY GLY ASP LEU HIS SER ARG ARG LEU VAL ALA SEQRES 6 L 114 GLN ASP ILE HIS ASP LYS ASP VAL VAL ARG LYS VAL MET SEQRES 7 L 114 ASP GLU VAL ALA PRO LYS TYR ALA GLU ARG PRO GLY GLY SEQRES 8 L 114 TYR THR ARG ILE LEU ARG VAL GLY THR ARG ARG GLY ASP SEQRES 9 L 114 GLY VAL THR MET ALA LEU ILE GLU LEU VAL SEQRES 1 M 111 ALA THR THR ILE ARG ARG LYS LEU ARG THR ARG ARG LYS SEQRES 2 M 111 VAL ARG THR THR THR ALA ALA SER GLY ARG LEU ARG LEU SEQRES 3 M 111 SER VAL TYR ARG SER SER LYS HIS ILE TYR ALA GLN ILE SEQRES 4 M 111 ILE ASP ASP SER ARG GLY GLN THR LEU ALA ALA ALA SER SEQRES 5 M 111 SER ALA ALA LEU LYS SER GLY ASN LYS THR ASP THR ALA SEQRES 6 M 111 ALA ALA VAL GLY LYS ALA LEU ALA ALA ALA ALA ALA GLU SEQRES 7 M 111 LYS GLY ILE LYS GLN VAL VAL PHE ASP ARG GLY SER TYR SEQRES 8 M 111 LYS TYR HIS GLY ARG VAL LYS ALA LEU ALA ASP ALA ALA SEQRES 9 M 111 ARG GLU GLY GLY LEU ASP PHE SEQRES 1 N 125 GLN THR HIS ILE LYS ILE ASN ARG GLY GLU LEU LEU ARG SEQRES 2 N 125 GLY ILE GLU GLN ASP HIS THR ARG GLN LEU PRO ASP PHE SEQRES 3 N 125 ARG PRO GLY ASP THR VAL ARG VAL ASP THR LYS VAL ARG SEQRES 4 N 125 GLU GLY ASN ARG THR ARG SER GLN ALA PHE GLU GLY VAL SEQRES 5 N 125 VAL ILE ALA ILE ASN GLY SER GLY SER ARG LYS SER PHE SEQRES 6 N 125 THR VAL ARG LYS ILE SER PHE GLY GLU GLY VAL GLU ARG SEQRES 7 N 125 VAL PHE PRO PHE ALA SER PRO LEU VAL ASN GLN VAL THR SEQRES 8 N 125 ILE VAL GLU ARG GLY LYS VAL ARG ARG ALA LYS LEU TYR SEQRES 9 N 125 TYR LEU ARG GLU LEU ARG GLY LYS ALA ALA ARG ILE LYS SEQRES 10 N 125 SER ASP ARG SER ARG VAL MET LYS SEQRES 1 O 117 PRO ARG ALA LYS THR GLY ILE VAL ARG ARG ARG ARG HIS SEQRES 2 O 117 LYS LYS VAL LEU LYS ARG ALA LYS GLY PHE TRP GLY SER SEQRES 3 O 117 ARG SER LYS GLN TYR ARG ASN ALA PHE GLN THR LEU LEU SEQRES 4 O 117 ASN ALA ALA THR TYR GLU TYR ARG ASP ARG ARG ASN LYS SEQRES 5 O 117 LYS ARG ASP PHE ARG ARG LEU TRP ILE GLN ARG ILE ASN SEQRES 6 O 117 ALA GLY ALA ARG LEU HIS GLY MET ASN TYR SER THR PHE SEQRES 7 O 117 ILE ASN GLY LEU LYS ARG ALA ASN ILE ASP LEU ASN ARG SEQRES 8 O 117 LYS VAL LEU ALA ASP ILE ALA ALA ARG GLU PRO GLU ALA SEQRES 9 O 117 PHE LYS ALA LEU VAL ASP ALA SER ARG ASN ALA ARG GLN SEQRES 1 P 100 MET PHE ALA ILE ILE GLN THR GLY GLY LYS GLN TYR ARG SEQRES 2 P 100 VAL SER GLU GLY ASP VAL ILE ARG VAL GLU SER LEU GLN SEQRES 3 P 100 GLY GLU ALA GLY ASP LYS VAL GLU LEU LYS ALA LEU PHE SEQRES 4 P 100 VAL GLY GLY GLU GLN THR VAL PHE GLY GLU ASP ALA GLY SEQRES 5 P 100 LYS TYR THR VAL GLN ALA GLU VAL VAL GLU HIS GLY ARG SEQRES 6 P 100 GLY LYS LYS ILE TYR ILE ARG LYS TYR LYS SER GLY VAL SEQRES 7 P 100 GLN TYR ARG ARG ARG THR GLY HIS ARG GLN ASN PHE THR SEQRES 8 P 100 ALA ILE LYS ILE LEU GLY ILE GLN GLY SEQRES 1 Q 130 GLU GLN THR PHE ARG ASN LYS LYS GLN ARG LYS GLN GLN SEQRES 2 Q 130 VAL LYS LEU ARG LYS PRO GLY PHE ALA VAL ALA LYS TYR SEQRES 3 Q 130 VAL ARG MET SER PRO ARG LYS VAL ARG LEU VAL VAL ASP SEQRES 4 Q 130 VAL ILE ARG GLY LYS SER VAL GLN ASP ALA GLU ASP LEU SEQRES 5 Q 130 LEU ARG PHE ILE PRO ARG SER ALA SER GLU PRO VAL ALA SEQRES 6 Q 130 LYS VAL LEU ASN SER ALA LYS ALA ASN ALA LEU HIS ASN SEQRES 7 Q 130 ASP GLU MET LEU GLU ASP ARG LEU PHE VAL LYS GLU ALA SEQRES 8 Q 130 TYR VAL ASP ALA GLY PRO THR LEU LYS ARG LEU ILE PRO SEQRES 9 Q 130 ARG ALA ARG GLY SER ALA ASN ILE ILE LYS LYS ARG THR SEQRES 10 Q 130 SER HIS ILE THR ILE ILE VAL ALA GLU LYS GLY ASN LYS SEQRES 1 R 93 SER HIS TYR ASP ILE LEU GLN ALA PRO VAL ILE SER GLU SEQRES 2 R 93 LYS ALA TYR SER ALA MET GLU ARG GLY VAL TYR SER PHE SEQRES 3 R 93 TRP VAL SER PRO LYS ALA THR LYS THR GLU ILE LYS ASP SEQRES 4 R 93 ALA ILE GLN GLN ALA PHE GLY VAL ARG VAL ILE GLY ILE SEQRES 5 R 93 SER THR MET ASN VAL PRO GLY LYS ARG LYS ARG VAL GLY SEQRES 6 R 93 ARG PHE ILE GLY GLN ARG ASN ASP ARG LYS LYS ALA ILE SEQRES 7 R 93 VAL ARG LEU ALA GLU GLY GLN SER ILE GLU ALA LEU ALA SEQRES 8 R 93 GLY GLN SEQRES 1 S 113 PRO ARG PRO SER ALA GLY SER HIS HIS ASN ASP LYS LEU SEQRES 2 S 113 HIS PHE LYS LYS GLY ASP THR VAL ILE VAL LEU SER GLY SEQRES 3 S 113 LYS HIS LYS GLY GLN THR GLY LYS VAL LEU LEU ALA LEU SEQRES 4 S 113 PRO ARG ASP GLN LYS VAL VAL VAL GLU GLY VAL ASN VAL SEQRES 5 S 113 ILE THR LYS ASN VAL LYS PRO SER MET THR ASN PRO GLN SEQRES 6 S 113 GLY GLY GLN GLU GLN ARG GLU LEU ALA LEU HIS ALA SER SEQRES 7 S 113 LYS VAL ALA LEU VAL ASP PRO GLU THR GLY LYS ALA THR SEQRES 8 S 113 ARG VAL ARG LYS GLN ILE VAL ASP GLY LYS LYS VAL ARG SEQRES 9 S 113 VAL ALA VAL ALA SER GLY LYS THR ILE SEQRES 1 T 173 MET GLU LEU THR ALA LYS PRO ARG THR PRO LYS GLN LYS SEQRES 2 T 173 LEU ASP GLU SER MET ILE ALA ALA VAL ALA TYR ASN LYS SEQRES 3 T 173 GLU ASN ASN VAL SER PHE ALA LEU ASP ARG LYS ALA PHE SEQRES 4 T 173 ASP ARG ALA PHE ARG GLN GLN SER THR THR GLY LEU PHE SEQRES 5 T 173 ASP ILE THR VAL GLU GLY GLY GLU THR PHE PRO ALA LEU SEQRES 6 T 173 VAL LYS ALA VAL GLN MET ASP LYS ARG LYS ARG ALA PRO SEQRES 7 T 173 ILE HIS VAL ASP PHE TYR MET VAL THR TYR GLY GLU PRO SEQRES 8 T 173 VAL GLU VAL SER VAL PRO VAL HIS THR THR GLY ARG SER SEQRES 9 T 173 GLN GLY GLU VAL GLN GLY GLY LEU VAL ASP ILE VAL VAL SEQRES 10 T 173 HIS ASN LEU GLN ILE VAL ALA PRO GLY PRO ARG ARG ILE SEQRES 11 T 173 PRO GLN GLU LEU VAL VAL ASP VAL THR LYS MET ASN ILE SEQRES 12 T 173 GLY ASP HIS ILE THR ALA GLY ASP ILE LYS LEU PRO GLU SEQRES 13 T 173 GLY CYS THR LEU ALA ALA ASP PRO GLU LEU THR VAL VAL SEQRES 14 T 173 SER VAL LEU PRO SEQRES 1 U 86 ALA HIS LYS LYS GLY VAL GLY SER SER LYS ASN GLY ARG SEQRES 2 U 86 ASP SER ASN PRO LYS TYR LEU GLY VAL LYS LYS PHE GLY SEQRES 3 U 86 GLY GLU VAL VAL LYS ALA GLY ASN ILE LEU VAL ARG GLN SEQRES 4 U 86 ARG GLY THR LYS PHE LYS ALA GLY GLN GLY VAL GLY MET SEQRES 5 U 86 GLY ARG ASP HIS THR LEU PHE ALA LEU SER ASP GLY LYS SEQRES 6 U 86 VAL VAL PHE ILE ASN LYS GLY LYS GLY ALA ARG PHE ILE SEQRES 7 U 86 SER ILE GLU ALA ALA GLN THR GLU SEQRES 1 V 16 UNK UNK UNK UNK UNK UNK UNK UNK UNK UNK UNK UNK UNK SEQRES 2 V 16 UNK UNK UNK SEQRES 1 W 65 LYS PRO SER GLU MET ARG ASN LEU GLN ALA THR ASP PHE SEQRES 2 W 65 ALA LYS GLU ILE ASP ALA ARG LYS LYS GLU LEU MET GLU SEQRES 3 W 65 LEU ARG PHE GLN ALA ALA ALA GLY GLN LEU ALA GLN PRO SEQRES 4 W 65 HIS ARG VAL ARG GLN LEU ARG ARG GLU VAL ALA GLN LEU SEQRES 5 W 65 ASN THR VAL LYS ALA GLU LEU ALA ARG LYS GLY GLU GLN SEQRES 1 X 55 MET LYS ILE LYS LEU VAL ARG SER VAL ILE GLY ARG PRO SEQRES 2 X 55 GLY ASN GLN VAL LYS THR VAL GLN ALA LEU GLY LEU ARG SEQRES 3 X 55 LYS ILE GLY ASP SER ARG GLU VAL SER ASP THR PRO ALA SEQRES 4 X 55 VAL ARG GLY MET VAL LYS THR VAL LYS HIS LEU LEU GLU SEQRES 5 X 55 VAL GLN GLU SEQRES 1 Y 73 MET GLN LYS ASP LEU HIS PRO LYS ALA VAL PRO CYS LYS SEQRES 2 Y 73 ILE ILE TYR GLN GLY GLN VAL VAL MET GLU THR MET SER SEQRES 3 Y 73 THR ARG PRO GLU ILE HIS VAL ASP VAL TRP SER GLY VAL SEQRES 4 Y 73 HIS PRO PHE TRP THR GLY GLU GLU ARG PHE LEU ASP THR SEQRES 5 Y 73 GLU GLY ARG VAL ASP LYS PHE ASN LYS ARG PHE GLY ASP SEQRES 6 Y 73 SER TYR ARG ARG GLY SER LYS LYS SEQRES 1 Z 58 ALA LYS HIS PRO VAL PRO LYS LYS LYS THR SER LYS SER SEQRES 2 Z 58 LYS ARG ASP MET ARG ARG SER HIS HIS ALA LEU THR ALA SEQRES 3 Z 58 PRO ASN LEU THR GLU CYS PRO GLN CYS HIS GLY LYS LYS SEQRES 4 Z 58 LEU SER HIS HIS ILE CYS PRO ASN CYS GLY TYR TYR ASP SEQRES 5 Z 58 GLY ARG GLN VAL LEU ALA SEQRES 1 1 53 ALA LYS ASP GLY PRO ARG ILE ILE VAL LYS MET GLU SER SEQRES 2 1 53 SER ALA GLY THR GLY PHE TYR TYR THR THR THR LYS ASN SEQRES 3 1 53 ARG ARG ASN THR GLN ALA LYS LEU GLU LEU LYS LYS TYR SEQRES 4 1 53 ASP PRO VAL ALA LYS LYS HIS VAL VAL PHE ARG GLU LYS SEQRES 5 1 53 LYS SEQRES 1 2 46 MET LYS ARG THR TYR GLN PRO ASN ASN ARG LYS ARG ALA SEQRES 2 2 46 LYS THR HIS GLY PHE ARG ALA ARG MET LYS THR LYS SER SEQRES 3 2 46 GLY ARG ASN ILE LEU ALA ARG ARG ARG ALA LYS GLY ARG SEQRES 4 2 46 HIS GLN LEU THR VAL SER ASP SEQRES 1 3 63 PRO LYS MET LYS THR HIS LYS MET ALA LYS ARG ARG ILE SEQRES 2 3 63 LYS ILE THR GLY THR GLY LYS VAL MET ALA PHE LYS SER SEQRES 3 3 63 GLY LYS ARG HIS GLN ASN THR GLY LYS SER GLY ASP GLU SEQRES 4 3 63 ILE ARG GLY LYS GLY LYS GLY PHE VAL LEU ALA LYS ALA SEQRES 5 3 63 GLU TRP ALA ARG MET LYS LEU MET LEU PRO ARG SEQRES 1 4 35 LYS VAL ARG SER SER VAL LYS LYS MET CYS ASP ASN CYS SEQRES 2 4 35 LYS VAL VAL ARG ARG HIS GLY ARG VAL LEU VAL ILE CYS SEQRES 3 4 35 SER ASN VAL LYS HIS LYS GLN ARG GLN SEQRES 1 5 217 MET LEU ALA ASP LYS GLU SER LEU ILE GLU ALA LEU LYS SEQRES 2 5 217 LEU ALA LEU SER THR GLU TYR ASN VAL LYS ARG ASN PHE SEQRES 3 5 217 THR GLN SER VAL GLU ILE ILE LEU THR PHE LYS GLY ILE SEQRES 4 5 217 ASP MSE LYS LYS GLY ASP LEU LYS LEU ARG GLU ILE VAL SEQRES 5 5 217 PRO LEU PRO LYS GLN PRO SER LYS ALA LYS ARG VAL LEU SEQRES 6 5 217 VAL VAL PRO SER SER GLU GLN LEU GLU TYR ALA LYS LYS SEQRES 7 5 217 ALA SER PRO LYS VAL VAL ILE THR ARG GLU GLU LEU GLN SEQRES 8 5 217 LYS LEU GLN GLY GLN LYS ARG PRO VAL LYS LYS LEU ALA SEQRES 9 5 217 ARG GLN ASN GLU TRP PHE LEU ILE ASN GLN GLU SER MSE SEQRES 10 5 217 ALA LEU ALA GLY ARG ILE LEU GLY PRO ALA LEU GLY PRO SEQRES 11 5 217 ARG GLY LYS PHE PRO THR PRO LEU PRO ASN THR ALA ASP SEQRES 12 5 217 ILE SER GLU TYR ILE ASN ARG PHE LYS ARG SER VAL LEU SEQRES 13 5 217 VAL LYS THR LYS ASP GLN PRO GLN VAL GLN VAL PHE ILE SEQRES 14 5 217 GLY THR GLU ASP MSE LYS PRO GLU ASP LEU ALA GLU ASN SEQRES 15 5 217 ALA ILE ALA VAL LEU ASN ALA ILE GLU ASN LYS ALA LYS SEQRES 16 5 217 VAL GLU THR ASN LEU ARG ASN ILE TYR VAL LYS THR THR SEQRES 17 5 217 MSE GLY LYS ALA VAL LYS VAL LYS ARG MODRES 1PNU MSE 5 41 MET SELENOMETHIONINE MODRES 1PNU MSE 5 117 MET SELENOMETHIONINE MODRES 1PNU MSE 5 174 MET SELENOMETHIONINE MODRES 1PNU MSE 5 209 MET SELENOMETHIONINE HET MSE 5 41 1 HET MSE 5 117 1 HET MSE 5 174 1 HET MSE 5 209 1 HETNAM MSE SELENOMETHIONINE FORMUL 33 MSE 4(C5 H11 N1 O2 SE1) CRYST1 682.320 682.320 386.360 90.00 90.00 90.00 I 4 2 2 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.001466 0.000000 0.000000 0.00000 SCALE2 0.000000 0.001466 0.000000 0.00000 SCALE3 0.000000 0.000000 0.002588 0.00000 ATOM 1 P G 0 1 225.429 115.039 91.875 1.00737.35 P ATOM 2 O1P G 0 1 225.341 113.910 92.890 1.00737.35 O ATOM 3 O2P G 0 1 226.859 115.424 91.536 1.00737.35 O ATOM 4 O5* G 0 1 224.772 116.345 92.597 1.00737.35 O ATOM 5 C5* G 0 1 225.002 117.660 92.086 1.00737.35 C ATOM 6 C4* G 0 1 224.303 118.721 92.904 1.00737.35 C ATOM 7 O4* G 0 1 224.542 120.021 92.305 1.00737.35 O ATOM 8 C3* G 0 1 222.788 118.604 92.964 1.00737.35 C ATOM 9 O3* G 0 1 222.383 117.703 93.992 1.00737.35 O ATOM 10 C2* G 0 1 222.365 120.039 93.259 1.00737.35 C ATOM 11 O2* G 0 1 222.485 120.383 94.624 1.00737.35 O ATOM 12 C1* G 0 1 223.382 120.828 92.433 1.00737.35 C ATOM 13 N9 G 0 1 222.904 121.167 91.094 1.00737.35 N ATOM 14 C8 G 0 1 223.096 120.450 89.937 1.00737.35 C ATOM 15 N7 G 0 1 222.549 121.006 88.890 1.00737.35 N ATOM 16 C5 G 0 1 221.958 122.161 89.384 1.00737.35 C ATOM 17 C6 G 0 1 221.217 123.170 88.717 1.00737.35 C ATOM 18 O6 G 0 1 220.925 123.249 87.517 1.00737.35 O ATOM 19 N1 G 0 1 220.799 124.164 89.598 1.00737.35 N ATOM 20 C2 G 0 1 221.062 124.185 90.946 1.00737.35 C ATOM 21 N2 G 0 1 220.569 125.231 91.627 1.00737.35 N ATOM 22 N3 G 0 1 221.752 123.252 91.580 1.00737.35 N ATOM 23 C4 G 0 1 222.167 122.275 90.743 1.00737.35 C ATOM 24 P G 0 2 220.958 116.967 93.893 1.00737.35 P ATOM 25 O1P G 0 2 220.879 116.005 95.022 1.00737.35 O ATOM 26 O2P G 0 2 220.771 116.478 92.503 1.00737.35 O ATOM 27 O5* G 0 2 219.901 118.132 94.155 1.00737.35 O ATOM 28 C5* G 0 2 219.814 118.769 95.428 1.00737.35 C ATOM 29 C4* G 0 2 218.796 119.887 95.389 1.00737.35 C ATOM 30 O4* G 0 2 219.240 120.911 94.459 1.00737.35 O ATOM 31 C3* G 0 2 217.409 119.506 94.899 1.00737.35 C ATOM 32 O3* G 0 2 216.624 118.965 95.957 1.00737.35 O ATOM 33 C2* G 0 2 216.862 120.839 94.404 1.00737.35 C ATOM 34 O2* G 0 2 216.363 121.657 95.447 1.00737.35 O ATOM 35 C1* G 0 2 218.116 121.477 93.801 1.00737.35 C ATOM 36 N9 G 0 2 218.254 121.247 92.365 1.00737.35 N ATOM 37 C8 G 0 2 218.964 120.245 91.746 1.00737.35 C ATOM 38 N7 G 0 2 218.901 120.300 90.444 1.00737.35 N ATOM 39 C5 G 0 2 218.098 121.403 90.184 1.00737.35 C ATOM 40 C6 G 0 2 217.672 121.961 88.950 1.00737.35 C ATOM 41 O6 G 0 2 217.928 121.578 87.802 1.00737.35 O ATOM 42 N1 G 0 2 216.867 123.078 89.146 1.00737.35 N ATOM 43 C2 G 0 2 216.517 123.596 90.367 1.00737.35 C ATOM 44 N2 G 0 2 215.728 124.682 90.347 1.00737.35 N ATOM 45 N3 G 0 2 216.908 123.088 91.526 1.00737.35 N ATOM 46 C4 G 0 2 217.691 121.999 91.360 1.00737.35 C ATOM 47 P U 0 3 215.401 117.976 95.619 1.00737.35 P ATOM 48 O1P U 0 3 214.867 117.479 96.913 1.00737.35 O ATOM 49 O2P U 0 3 215.852 117.002 94.590 1.00737.35 O ATOM 50 O5* U 0 3 214.307 118.927 94.960 1.00737.35 O ATOM 51 C5* U 0 3 213.635 119.920 95.735 1.00737.35 C ATOM 52 C4* U 0 3 212.699 120.727 94.864 1.00737.35 C ATOM 53 O4* U 0 3 213.470 121.459 93.875 1.00737.35 O ATOM 54 C3* U 0 3 211.703 119.924 94.042 1.00737.35 C ATOM 55 O3* U 0 3 210.550 119.595 94.814 1.00737.35 O ATOM 56 C2* U 0 3 211.377 120.883 92.902 1.00737.35 C ATOM 57 O2* U 0 3 210.425 121.867 93.259 1.00737.35 O ATOM 58 C1* U 0 3 212.737 121.540 92.661 1.00737.35 C ATOM 59 N1 U 0 3 213.523 120.898 91.592 1.00737.35 N ATOM 60 C2 U 0 3 213.328 121.341 90.290 1.00737.35 C ATOM 61 O2 U 0 3 212.544 122.230 89.996 1.00737.35 O ATOM 62 N3 U 0 3 214.089 120.702 89.341 1.00737.35 N ATOM 63 C4 U 0 3 215.005 119.690 89.551 1.00737.35 C ATOM 64 O4 U 0 3 215.615 119.218 88.593 1.00737.35 O ATOM 65 C5 U 0 3 215.148 119.290 90.916 1.00737.35 C ATOM 66 C6 U 0 3 214.424 119.890 91.866 1.00737.35 C ATOM 67 P C 0 4 209.670 118.307 94.427 1.00737.35 P ATOM 68 O1P C 0 4 208.663 118.123 95.505 1.00737.35 O ATOM 69 O2P C 0 4 210.588 117.190 94.085 1.00737.35 O ATOM 70 O5* C 0 4 208.905 118.748 93.101 1.00737.35 O ATOM 71 C5* C 0 4 207.891 119.750 93.139 1.00737.35 C ATOM 72 C4* C 0 4 207.426 120.085 91.740 1.00737.35 C ATOM 73 O4* C 0 4 208.526 120.664 90.992 1.00737.35 O ATOM 74 C3* C 0 4 206.974 118.909 90.889 1.00737.35 C ATOM 75 O3* C 0 4 205.617 118.571 91.162 1.00737.35 O ATOM 76 C2* C 0 4 207.158 119.444 89.475 1.00737.35 C ATOM 77 O2* C 0 4 206.093 120.274 89.050 1.00737.35 O ATOM 78 C1* C 0 4 208.435 120.275 89.629 1.00737.35 C ATOM 79 N1 C 0 4 209.662 119.543 89.256 1.00737.35 N ATOM 80 C2 C 0 4 210.093 119.577 87.920 1.00737.35 C ATOM 81 O2 C 0 4 209.433 120.221 87.085 1.00737.35 O ATOM 82 N3 C 0 4 211.214 118.905 87.570 1.00737.35 N ATOM 83 C4 C 0 4 211.899 118.222 88.490 1.00737.35 C ATOM 84 N4 C 0 4 212.997 117.573 88.098 1.00737.35 N ATOM 85 C5 C 0 4 211.486 118.172 89.853 1.00737.35 C ATOM 86 C6 C 0 4 210.375 118.841 90.190 1.00737.35 C ATOM 87 P A 0 5 205.100 117.068 90.909 1.00737.35 P ATOM 88 O1P A 0 5 203.708 116.991 91.419 1.00737.35 O ATOM 89 O2P A 0 5 206.123 116.123 91.424 1.00737.35 O ATOM 90 O5* A 0 5 205.057 116.940 89.321 1.00737.35 O ATOM 91 C5* A 0 5 204.110 117.677 88.551 1.00737.35 C ATOM 92 C4* A 0 5 204.322 117.428 87.075 1.00737.35 C ATOM 93 O4* A 0 5 205.626 117.932 86.681 1.00737.35 O ATOM 94 C3* A 0 5 204.339 115.970 86.639 1.00737.35 C ATOM 95 O3* A 0 5 203.016 115.479 86.440 1.00737.35 O ATOM 96 C2* A 0 5 205.129 116.032 85.337 1.00737.35 C ATOM 97 O2* A 0 5 204.347 116.446 84.232 1.00737.35 O ATOM 98 C1* A 0 5 206.170 117.105 85.666 1.00737.35 C ATOM 99 N9 A 0 5 207.442 116.557 86.139 1.00737.35 N ATOM 100 C8 A 0 5 207.871 116.403 87.437 1.00737.35 C ATOM 101 N7 A 0 5 209.069 115.878 87.538 1.00737.35 N ATOM 102 C5 A 0 5 209.457 115.670 86.222 1.00737.35 C ATOM 103 C6 A 0 5 210.628 115.138 85.651 1.00737.35 C ATOM 104 N6 A 0 5 211.666 114.700 86.364 1.00737.35 N ATOM 105 N1 A 0 5 210.694 115.071 84.304 1.00737.35 N ATOM 106 C2 A 0 5 209.653 115.512 83.588 1.00737.35 C ATOM 107 N3 A 0 5 208.501 116.031 84.006 1.00737.35 N ATOM 108 C4 A 0 5 208.465 116.085 85.350 1.00737.35 C ATOM 109 P A 0 6 202.729 113.900 86.527 1.00737.35 P ATOM 110 O1P A 0 6 201.257 113.715 86.442 1.00737.35 O ATOM 111 O2P A 0 6 203.469 113.346 87.690 1.00737.35 O ATOM 112 O5* A 0 6 203.382 113.315 85.197 1.00737.35 O ATOM 113 C5* A 0 6 202.850 113.645 83.913 1.00737.35 C ATOM 114 C4* A 0 6 203.710 113.057 82.818 1.00737.35 C ATOM 115 O4* A 0 6 205.036 113.650 82.873 1.00737.35 O ATOM 116 C3* A 0 6 203.968 111.561 82.905 1.00737.35 C ATOM 117 O3* A 0 6 202.892 110.822 82.332 1.00737.35 O ATOM 118 C2* A 0 6 205.258 111.407 82.108 1.00737.35 C ATOM 119 O2* A 0 6 205.047 111.378 80.710 1.00737.35 O ATOM 120 C1* A 0 6 206.006 112.686 82.492 1.00737.35 C ATOM 121 N9 A 0 6 206.939 112.503 83.606 1.00737.35 N ATOM 122 C8 A 0 6 206.694 112.637 84.952 1.00737.35 C ATOM 123 N7 A 0 6 207.739 112.403 85.707 1.00737.35 N ATOM 124 C5 A 0 6 208.742 112.092 84.800 1.00737.35 C ATOM 125 C6 A 0 6 210.095 111.746 84.966 1.00737.35 C ATOM 126 N6 A 0 6 210.695 111.650 86.156 1.00737.35 N ATOM 127 N1 A 0 6 210.821 111.497 83.854 1.00737.35 N ATOM 128 C2 A 0 6 210.220 111.593 82.662 1.00737.35 C ATOM 129 N3 A 0 6 208.959 111.908 82.376 1.00737.35 N ATOM 130 C4 A 0 6 208.265 112.150 83.503 1.00737.35 C ATOM 131 P G 0 7 202.643 109.297 82.777 1.00737.35 P ATOM 132 O1P G 0 7 201.352 108.870 82.181 1.00737.35 O ATOM 133 O2P G 0 7 202.841 109.190 84.246 1.00737.35 O ATOM 134 O5* G 0 7 203.815 108.493 82.056 1.00737.35 O ATOM 135 C5* G 0 7 203.853 108.370 80.636 1.00737.35 C ATOM 136 C4* G 0 7 205.130 107.689 80.199 1.00737.35 C ATOM 137 O4* G 0 7 206.266 108.517 80.558 1.00737.35 O ATOM 138 C3* G 0 7 205.423 106.345 80.850 1.00737.35 C ATOM 139 O3* G 0 7 204.740 105.291 80.173 1.00737.35 O ATOM 140 C2* G 0 7 206.934 106.237 80.704 1.00737.35 C ATOM 141 O2* G 0 7 207.341 105.804 79.421 1.00737.35 O ATOM 142 C1* G 0 7 207.365 107.691 80.918 1.00737.35 C ATOM 143 N9 G 0 7 207.738 107.992 82.297 1.00737.35 N ATOM 144 C8 G 0 7 206.934 108.516 83.284 1.00737.35 C ATOM 145 N7 G 0 7 207.554 108.674 84.423 1.00737.35 N ATOM 146 C5 G 0 7 208.846 108.227 84.175 1.00737.35 C ATOM 147 C6 G 0 7 209.973 108.156 85.034 1.00737.35 C ATOM 148 O6 G 0 7 210.061 108.485 86.223 1.00737.35 O ATOM 149 N1 G 0 7 211.085 107.638 84.377 1.00737.35 N ATOM 150 C2 G 0 7 211.111 107.239 83.063 1.00737.35 C ATOM 151 N2 G 0 7 212.282 106.764 82.611 1.00737.35 N ATOM 152 N3 G 0 7 210.069 107.301 82.252 1.00737.35 N ATOM 153 C4 G 0 7 208.978 107.803 82.870 1.00737.35 C ATOM 154 P A 0 8 204.435 103.914 80.945 1.00737.35 P ATOM 155 O1P A 0 8 203.581 103.089 80.054 1.00737.35 O ATOM 156 O2P A 0 8 203.968 104.233 82.320 1.00737.35 O ATOM 157 O5* A 0 8 205.861 103.211 81.057 1.00737.35 O ATOM 158 C5* A 0 8 206.563 102.788 79.889 1.00737.35 C ATOM 159 C4* A 0 8 207.941 102.283 80.254 1.00737.35 C ATOM 160 O4* A 0 8 208.712 103.367 80.837 1.00737.35 O ATOM 161 C3* A 0 8 207.989 101.182 81.300 1.00737.35 C ATOM 162 O3* A 0 8 207.785 99.902 80.707 1.00737.35 O ATOM 163 C2* A 0 8 209.395 101.337 81.865 1.00737.35 C ATOM 164 O2* A 0 8 210.389 100.740 81.052 1.00737.35 O ATOM 165 C1* A 0 8 209.561 102.858 81.854 1.00737.35 C ATOM 166 N9 A 0 8 209.196 103.493 83.121 1.00737.35 N ATOM 167 C8 A 0 8 207.966 103.969 83.507 1.00737.35 C ATOM 168 N7 A 0 8 207.950 104.485 84.711 1.00737.35 N ATOM 169 C5 A 0 8 209.260 104.342 85.151 1.00737.35 C ATOM 170 C6 A 0 8 209.893 104.690 86.357 1.00737.35 C ATOM 171 N6 A 0 8 209.268 105.281 87.376 1.00737.35 N ATOM 172 N1 A 0 8 211.208 104.411 86.479 1.00737.35 N ATOM 173 C2 A 0 8 211.833 103.817 85.453 1.00737.35 C ATOM 174 N3 A 0 8 211.348 103.438 84.274 1.00737.35 N ATOM 175 C4 A 0 8 210.038 103.732 84.184 1.00737.35 C ATOM 176 P U 0 9 207.231 98.685 81.602 1.00737.35 P ATOM 177 O1P U 0 9 206.915 97.569 80.674 1.00737.35 O ATOM 178 O2P U 0 9 206.175 99.202 82.510 1.00737.35 O ATOM 179 O5* U 0 9 208.484 98.257 82.487 1.00737.35 O ATOM 180 C5* U 0 9 209.668 97.740 81.880 1.00737.35 C ATOM 181 C4* U 0 9 210.808 97.725 82.872 1.00737.35 C ATOM 182 O4* U 0 9 211.072 99.081 83.317 1.00737.35 O ATOM 183 C3* U 0 9 210.568 96.947 84.157 1.00737.35 C ATOM 184 O3* U 0 9 210.845 95.561 83.972 1.00737.35 O ATOM 185 C2* U 0 9 211.552 97.605 85.118 1.00737.35 C ATOM 186 O2* U 0 9 212.879 97.140 84.959 1.00737.35 O ATOM 187 C1* U 0 9 211.467 99.071 84.680 1.00737.35 C ATOM 188 N1 U 0 9 210.496 99.860 85.460 1.00737.35 N ATOM 189 C2 U 0 9 210.941 100.466 86.628 1.00737.35 C ATOM 190 O2 U 0 9 212.091 100.374 87.032 1.00737.35 O ATOM 191 N3 U 0 9 209.989 101.180 87.309 1.00737.35 N ATOM 192 C4 U 0 9 208.666 101.355 86.954 1.00737.35 C ATOM 193 O4 U 0 9 207.929 102.029 87.675 1.00737.35 O ATOM 194 C5 U 0 9 208.283 100.704 85.740 1.00737.35 C ATOM 195 C6 U 0 9 209.185 99.997 85.053 1.00737.35 C ATOM 196 P A 0 10 210.249 94.479 85.005 1.00737.35 P ATOM 197 O1P A 0 10 210.382 93.145 84.364 1.00737.35 O ATOM 198 O2P A 0 10 208.915 94.942 85.466 1.00737.35 O ATOM 199 O5* A 0 10 211.252 94.536 86.244 1.00737.35 O ATOM 200 C5* A 0 10 212.629 94.200 86.086 1.00737.35 C ATOM 201 C4* A 0 10 213.417 94.610 87.309 1.00737.35 C ATOM 202 O4* A 0 10 213.290 96.044 87.498 1.00737.35 O ATOM 203 C3* A 0 10 212.956 94.016 88.631 1.00737.35 C ATOM 204 O3* A 0 10 213.528 92.727 88.839 1.00737.35 O ATOM 205 C2* A 0 10 213.478 95.035 89.638 1.00737.35 C ATOM 206 O2* A 0 10 214.854 94.877 89.926 1.00737.35 O ATOM 207 C1* A 0 10 213.262 96.347 88.882 1.00737.35 C ATOM 208 N9 A 0 10 211.982 96.990 89.193 1.00737.35 N ATOM 209 C8 A 0 10 210.827 96.990 88.448 1.00737.35 C ATOM 210 N7 A 0 10 209.843 97.661 88.997 1.00737.35 N ATOM 211 C5 A 0 10 210.387 98.136 90.183 1.00737.35 C ATOM 212 C6 A 0 10 209.850 98.919 91.218 1.00737.35 C ATOM 213 N6 A 0 10 208.598 99.384 91.226 1.00737.35 N ATOM 214 N1 A 0 10 210.654 99.216 92.262 1.00737.35 N ATOM 215 C2 A 0 10 211.910 98.751 92.256 1.00737.35 C ATOM 216 N3 A 0 10 212.528 98.007 91.342 1.00737.35 N ATOM 217 C4 A 0 10 211.701 97.731 90.318 1.00737.35 C ATOM 218 P G 0 11 212.782 91.661 89.786 1.00737.35 P ATOM 219 O1P G 0 11 213.570 90.403 89.739 1.00737.35 O ATOM 220 O2P G 0 11 211.340 91.635 89.428 1.00737.35 O ATOM 221 O5* G 0 11 212.920 92.278 91.250 1.00737.35 O ATOM 222 C5* G 0 11 214.200 92.579 91.802 1.00737.35 C ATOM 223 C4* G 0 11 214.047 93.382 93.074 1.00737.35 C ATOM 224 O4* G 0 11 213.314 94.600 92.782 1.00737.35 O ATOM 225 C3* G 0 11 213.249 92.718 94.185 1.00737.35 C ATOM 226 O3* G 0 11 214.083 91.866 94.967 1.00737.35 O ATOM 227 C2* G 0 11 212.755 93.915 94.989 1.00737.35 C ATOM 228 O2* G 0 11 213.729 94.428 95.876 1.00737.35 O ATOM 229 C1* G 0 11 212.478 94.931 93.880 1.00737.35 C ATOM 230 N9 G 0 11 211.090 94.927 93.425 1.00737.35 N ATOM 231 C8 G 0 11 210.546 94.171 92.413 1.00737.35 C ATOM 232 N7 G 0 11 209.270 94.384 92.241 1.00737.35 N ATOM 233 C5 G 0 11 208.948 95.339 93.195 1.00737.35 C ATOM 234 C6 G 0 11 207.709 95.965 93.490 1.00737.35 C ATOM 235 O6 G 0 11 206.610 95.794 92.947 1.00737.35 O ATOM 236 N1 G 0 11 207.831 96.874 94.534 1.00737.35 N ATOM 237 C2 G 0 11 208.991 97.149 95.210 1.00737.35 C ATOM 238 N2 G 0 11 208.905 98.060 96.193 1.00737.35 N ATOM 239 N3 G 0 11 210.154 96.574 94.949 1.00737.35 N ATOM 240 C4 G 0 11 210.059 95.686 93.934 1.00737.35 C ATOM 241 P U 0 12 213.463 90.543 95.642 1.00737.35 P ATOM 242 O1P U 0 12 214.534 89.930 96.469 1.00737.35 O ATOM 243 O2P U 0 12 212.806 89.738 94.580 1.00737.35 O ATOM 244 O5* U 0 12 212.333 91.096 96.620 1.00737.35 O ATOM 245 C5* U 0 12 212.665 91.929 97.731 1.00737.35 C ATOM 246 C4* U 0 12 211.406 92.427 98.408 1.00737.35 C ATOM 247 O4* U 0 12 210.643 93.230 97.470 1.00737.35 O ATOM 248 C3* U 0 12 210.435 91.348 98.861 1.00737.35 C ATOM 249 O3* U 0 12 210.790 90.859 100.152 1.00737.35 O ATOM 250 C2* U 0 12 209.107 92.100 98.891 1.00737.35 C ATOM 251 O2* U 0 12 208.926 92.864 100.065 1.00737.35 O ATOM 252 C1* U 0 12 209.255 93.031 97.686 1.00737.35 C ATOM 253 N1 U 0 12 208.655 92.504 96.445 1.00737.35 N ATOM 254 C2 U 0 12 207.309 92.753 96.222 1.00737.35 C ATOM 255 O2 U 0 12 206.608 93.384 96.998 1.00737.35 O ATOM 256 N3 U 0 12 206.812 92.235 95.051 1.00737.35 N ATOM 257 C4 U 0 12 207.503 91.509 94.101 1.00737.35 C ATOM 258 O4 U 0 12 206.912 91.113 93.097 1.00737.35 O ATOM 259 C5 U 0 12 208.884 91.294 94.404 1.00737.35 C ATOM 260 C6 U 0 12 209.401 91.784 95.535 1.00737.35 C ATOM 261 P A 0 13 210.915 89.275 100.398 1.00737.35 P ATOM 262 O1P A 0 13 211.226 89.077 101.837 1.00737.35 O ATOM 263 O2P A 0 13 211.824 88.711 99.369 1.00737.35 O ATOM 264 O5* A 0 13 209.448 88.720 100.123 1.00737.35 O ATOM 265 C5* A 0 13 208.395 88.915 101.065 1.00737.35 C ATOM 266 C4* A 0 13 207.107 88.313 100.544 1.00737.35 C ATOM 267 O4* A 0 13 206.709 89.019 99.340 1.00737.35 O ATOM 268 C3* A 0 13 207.192 86.852 100.124 1.00737.35 C ATOM 269 O3* A 0 13 206.991 85.988 101.239 1.00737.35 O ATOM 270 C2* A 0 13 206.068 86.741 99.101 1.00737.35 C ATOM 271 O2* A 0 13 204.793 86.577 99.689 1.00737.35 O ATOM 272 C1* A 0 13 206.150 88.105 98.410 1.00737.35 C ATOM 273 N9 A 0 13 206.979 88.111 97.203 1.00737.35 N ATOM 274 C8 A 0 13 208.333 88.330 97.111 1.00737.35 C ATOM 275 N7 A 0 13 208.795 88.278 95.884 1.00737.35 N ATOM 276 C5 A 0 13 207.671 88.006 95.117 1.00737.35 C ATOM 277 C6 A 0 13 207.490 87.828 93.734 1.00737.35 C ATOM 278 N6 A 0 13 208.481 87.905 92.842 1.00737.35 N ATOM 279 N1 A 0 13 206.240 87.568 93.293 1.00737.35 N ATOM 280 C2 A 0 13 205.248 87.493 94.187 1.00737.35 C ATOM 281 N3 A 0 13 205.291 87.640 95.509 1.00737.35 N ATOM 282 C4 A 0 13 206.546 87.897 95.917 1.00737.35 C ATOM 283 P A 0 14 207.846 84.631 101.361 1.00737.35 P ATOM 284 O1P A 0 14 209.280 84.999 101.251 1.00737.35 O ATOM 285 O2P A 0 14 207.271 83.633 100.419 1.00737.35 O ATOM 286 O5* A 0 14 207.583 84.140 102.854 1.00737.35 O ATOM 287 C5* A 0 14 206.435 83.360 103.191 1.00737.35 C ATOM 288 C4* A 0 14 205.880 83.806 104.523 1.00737.35 C ATOM 289 O4* A 0 14 205.472 85.197 104.416 1.00737.35 O ATOM 290 C3* A 0 14 204.629 83.078 105.001 1.00737.35 C ATOM 291 O3* A 0 14 204.969 81.878 105.693 1.00737.35 O ATOM 292 C2* A 0 14 203.992 84.112 105.922 1.00737.35 C ATOM 293 O2* A 0 14 204.590 84.162 107.201 1.00737.35 O ATOM 294 C1* A 0 14 204.282 85.408 105.162 1.00737.35 C ATOM 295 N9 A 0 14 203.213 85.776 104.230 1.00737.35 N ATOM 296 C8 A 0 14 203.162 85.567 102.872 1.00737.35 C ATOM 297 N7 A 0 14 202.064 86.007 102.310 1.00737.35 N ATOM 298 C5 A 0 14 201.340 86.545 103.367 1.00737.35 C ATOM 299 C6 A 0 14 200.083 87.172 103.430 1.00737.35 C ATOM 300 N6 A 0 14 199.300 87.370 102.368 1.00737.35 N ATOM 301 N1 A 0 14 199.652 87.592 104.638 1.00737.35 N ATOM 302 C2 A 0 14 200.438 87.394 105.703 1.00737.35 C ATOM 303 N3 A 0 14 201.636 86.818 105.772 1.00737.35 N ATOM 304 C4 A 0 14 202.038 86.411 104.553 1.00737.35 C ATOM 305 P G 0 15 203.808 80.855 106.142 1.00737.35 P ATOM 306 O1P G 0 15 202.996 81.530 107.187 1.00737.35 O ATOM 307 O2P G 0 15 204.437 79.543 106.439 1.00737.35 O ATOM 308 O5* G 0 15 202.897 80.695 104.845 1.00737.35 O ATOM 309 C5* G 0 15 203.330 79.923 103.728 1.00737.35 C ATOM 310 C4* G 0 15 202.233 79.845 102.694 1.00737.35 C ATOM 311 O4* G 0 15 201.881 81.187 102.272 1.00737.35 O ATOM 312 C3* G 0 15 202.593 79.125 101.405 1.00737.35 C ATOM 313 O3* G 0 15 202.414 77.718 101.541 1.00737.35 O ATOM 314 C2* G 0 15 201.608 79.732 100.414 1.00737.35 C ATOM 315 O2* G 0 15 200.317 79.155 100.488 1.00737.35 O ATOM 316 C1* G 0 15 201.552 81.183 100.890 1.00737.35 C ATOM 317 N9 G 0 15 202.486 82.062 100.187 1.00737.35 N ATOM 318 C8 G 0 15 203.763 82.398 100.570 1.00737.35 C ATOM 319 N7 G 0 15 204.354 83.205 99.732 1.00737.35 N ATOM 320 C5 G 0 15 203.411 83.418 98.736 1.00737.35 C ATOM 321 C6 G 0 15 203.479 84.206 97.558 1.00737.35 C ATOM 322 O6 G 0 15 204.419 84.898 97.149 1.00737.35 O ATOM 323 N1 G 0 15 202.297 84.138 96.830 1.00737.35 N ATOM 324 C2 G 0 15 201.190 83.408 97.184 1.00737.35 C ATOM 325 N2 G 0 15 200.146 83.472 96.344 1.00737.35 N ATOM 326 N3 G 0 15 201.113 82.669 98.276 1.00737.35 N ATOM 327 C4 G 0 15 202.251 82.720 99.003 1.00737.35 C ATOM 328 P G 0 16 203.267 76.710 100.623 1.00737.35 P ATOM 329 O1P G 0 16 202.890 75.328 101.014 1.00737.35 O ATOM 330 O2P G 0 16 204.695 77.121 100.669 1.00737.35 O ATOM 331 O5* G 0 16 202.722 76.975 99.149 1.00737.35 O ATOM 332 C5* G 0 16 201.344 76.782 98.830 1.00737.35 C ATOM 333 C4* G 0 16 201.092 77.105 97.376 1.00737.35 C ATOM 334 O4* G 0 16 201.410 78.501 97.129 1.00737.35 O ATOM 335 C3* G 0 16 201.948 76.342 96.377 1.00737.35 C ATOM 336 O3* G 0 16 201.381 75.070 96.080 1.00737.35 O ATOM 337 C2* G 0 16 201.938 77.268 95.167 1.00737.35 C ATOM 338 O2* G 0 16 200.763 77.156 94.389 1.00737.35 O ATOM 339 C1* G 0 16 201.989 78.642 95.841 1.00737.35 C ATOM 340 N9 G 0 16 203.347 79.159 95.995 1.00737.35 N ATOM 341 C8 G 0 16 204.085 79.230 97.153 1.00737.35 C ATOM 342 N7 G 0 16 205.273 79.741 96.977 1.00737.35 N ATOM 343 C5 G 0 16 205.326 80.029 95.619 1.00737.35 C ATOM 344 C6 G 0 16 206.366 80.597 94.841 1.00737.35 C ATOM 345 O6 G 0 16 207.486 80.973 95.205 1.00737.35 O ATOM 346 N1 G 0 16 205.999 80.711 93.504 1.00737.35 N ATOM 347 C2 G 0 16 204.788 80.328 92.980 1.00737.35 C ATOM 348 N2 G 0 16 204.624 80.521 91.664 1.00737.35 N ATOM 349 N3 G 0 16 203.808 79.798 93.695 1.00737.35 N ATOM 350 C4 G 0 16 204.144 79.677 94.997 1.00737.35 C ATOM 351 P G 0 17 202.332 73.865 95.605 1.00737.35 P ATOM 352 O1P G 0 17 201.458 72.695 95.333 1.00737.35 O ATOM 353 O2P G 0 17 203.449 73.736 96.576 1.00737.35 O ATOM 354 O5* G 0 17 202.931 74.376 94.219 1.00737.35 O ATOM 355 C5* G 0 17 202.102 74.512 93.067 1.00737.35 C ATOM 356 C4* G 0 17 202.935 74.872 91.858 1.00737.35 C ATOM 357 O4* G 0 17 203.494 76.202 92.031 1.00737.35 O ATOM 358 C3* G 0 17 204.143 73.989 91.601 1.00737.35 C ATOM 359 O3* G 0 17 203.770 72.810 90.894 1.00737.35 O ATOM 360 C2* G 0 17 205.041 74.899 90.770 1.00737.35 C ATOM 361 O2* G 0 17 204.681 74.939 89.404 1.00737.35 O ATOM 362 C1* G 0 17 204.772 76.262 91.417 1.00737.35 C ATOM 363 N9 G 0 17 205.757 76.641 92.428 1.00737.35 N ATOM 364 C8 G 0 17 205.721 76.360 93.773 1.00737.35 C ATOM 365 N7 G 0 17 206.748 76.835 94.426 1.00737.35 N ATOM 366 C5 G 0 17 207.508 77.467 93.452 1.00737.35 C ATOM 367 C6 G 0 17 208.741 78.167 93.561 1.00737.35 C ATOM 368 O6 G 0 17 209.426 78.376 94.571 1.00737.35 O ATOM 369 N1 G 0 17 209.163 78.651 92.326 1.00737.35 N ATOM 370 C2 G 0 17 208.491 78.484 91.141 1.00737.35 C ATOM 371 N2 G 0 17 209.065 79.024 90.055 1.00737.35 N ATOM 372 N3 G 0 17 207.343 77.837 91.026 1.00737.35 N ATOM 373 C4 G 0 17 206.913 77.357 92.214 1.00737.35 C ATOM 374 P U 0 18 204.536 71.427 91.190 1.00737.35 P ATOM 375 O1P U 0 18 203.799 70.354 90.471 1.00737.35 O ATOM 376 O2P U 0 18 204.753 71.307 92.656 1.00737.35 O ATOM 377 O5* U 0 18 205.954 71.617 90.490 1.00737.35 O ATOM 378 C5* U 0 18 206.076 71.604 89.070 1.00737.35 C ATOM 379 C4* U 0 18 207.502 71.888 88.658 1.00737.35 C ATOM 380 O4* U 0 18 207.858 73.242 89.043 1.00737.35 O ATOM 381 C3* U 0 18 208.571 71.026 89.309 1.00737.35 C ATOM 382 O3* U 0 18 208.700 69.775 88.638 1.00737.35 O ATOM 383 C2* U 0 18 209.816 71.891 89.159 1.00737.35 C ATOM 384 O2* U 0 18 210.400 71.802 87.875 1.00737.35 O ATOM 385 C1* U 0 18 209.240 73.295 89.366 1.00737.35 C ATOM 386 N1 U 0 18 209.393 73.799 90.741 1.00737.35 N ATOM 387 C2 U 0 18 210.566 74.469 91.057 1.00737.35 C ATOM 388 O2 U 0 18 211.465 74.658 90.252 1.00737.35 O ATOM 389 N3 U 0 18 210.652 74.912 92.353 1.00737.35 N ATOM 390 C4 U 0 18 209.707 74.760 93.348 1.00737.35 C ATOM 391 O4 U 0 18 209.932 75.215 94.469 1.00737.35 O ATOM 392 C5 U 0 18 208.525 74.058 92.947 1.00737.35 C ATOM 393 C6 U 0 18 208.411 73.616 91.692 1.00737.35 C ATOM 394 P C 0 19 209.333 68.515 89.412 1.00737.35 P ATOM 395 O1P C 0 19 209.116 67.319 88.556 1.00737.35 O ATOM 396 O2P C 0 19 208.829 68.513 90.810 1.00737.35 O ATOM 397 O5* C 0 19 210.894 68.828 89.446 1.00737.35 O ATOM 398 C5* C 0 19 211.659 68.868 88.241 1.00737.35 C ATOM 399 C4* C 0 19 213.040 69.415 88.511 1.00737.35 C ATOM 400 O4* C 0 19 212.938 70.785 88.975 1.00737.35 O ATOM 401 C3* C 0 19 213.840 68.711 89.595 1.00737.35 C ATOM 402 O3* C 0 19 214.493 67.554 89.081 1.00737.35 O ATOM 403 C2* C 0 19 214.834 69.789 90.012 1.00737.35 C ATOM 404 O2* C 0 19 215.943 69.890 89.141 1.00737.35 O ATOM 405 C1* C 0 19 213.976 71.053 89.907 1.00737.35 C ATOM 406 N1 C 0 19 213.372 71.466 91.191 1.00737.35 N ATOM 407 C2 C 0 19 214.104 72.309 92.046 1.00737.35 C ATOM 408 O2 C 0 19 215.237 72.686 91.702 1.00737.35 O ATOM 409 N3 C 0 19 213.558 72.690 93.224 1.00737.35 N ATOM 410 C4 C 0 19 212.338 72.266 93.563 1.00737.35 C ATOM 411 N4 C 0 19 211.839 72.670 94.735 1.00737.35 N ATOM 412 C5 C 0 19 211.572 71.412 92.715 1.00737.35 C ATOM 413 C6 C 0 19 212.121 71.040 91.551 1.00737.35 C ATOM 414 P C 0 20 214.913 66.363 90.077 1.00737.35 P ATOM 415 O1P C 0 20 215.437 65.254 89.241 1.00737.35 O ATOM 416 O2P C 0 20 213.788 66.107 91.014 1.00737.35 O ATOM 417 O5* C 0 20 216.127 66.976 90.911 1.00737.35 O ATOM 418 C5* C 0 20 217.369 67.279 90.280 1.00737.35 C ATOM 419 C4* C 0 20 218.291 67.992 91.245 1.00737.35 C ATOM 420 O4* C 0 20 217.713 69.274 91.606 1.00737.35 O ATOM 421 C3* C 0 20 218.520 67.296 92.577 1.00737.35 C ATOM 422 O3* C 0 20 219.539 66.308 92.473 1.00737.35 O ATOM 423 C2* C 0 20 218.934 68.456 93.475 1.00737.35 C ATOM 424 O2* C 0 20 220.293 68.820 93.326 1.00737.35 O ATOM 425 C1* C 0 20 218.036 69.579 92.953 1.00737.35 C ATOM 426 N1 C 0 20 216.781 69.733 93.720 1.00737.35 N ATOM 427 C2 C 0 20 216.776 70.558 94.859 1.00737.35 C ATOM 428 O2 C 0 20 217.824 71.136 95.192 1.00737.35 O ATOM 429 N3 C 0 20 215.631 70.702 95.564 1.00737.35 N ATOM 430 C4 C 0 20 214.524 70.063 95.179 1.00737.35 C ATOM 431 N4 C 0 20 213.421 70.234 95.909 1.00737.35 N ATOM 432 C5 C 0 20 214.499 69.221 94.030 1.00737.35 C ATOM 433 C6 C 0 20 215.638 69.085 93.338 1.00737.35 C ATOM 434 P A 0 21 219.524 65.042 93.463 1.00737.35 P ATOM 435 O1P A 0 21 220.648 64.158 93.065 1.00737.35 O ATOM 436 O2P A 0 21 218.142 64.495 93.510 1.00737.35 O ATOM 437 O5* A 0 21 219.858 65.668 94.891 1.00737.35 O ATOM 438 C5* A 0 21 221.161 66.170 95.182 1.00737.35 C ATOM 439 C4* A 0 21 221.206 66.738 96.584 1.00737.35 C ATOM 440 O4* A 0 21 220.350 67.909 96.662 1.00737.35 O ATOM 441 C3* A 0 21 220.694 65.829 97.687 1.00737.35 C ATOM 442 O3* A 0 21 221.703 64.917 98.110 1.00737.35 O ATOM 443 C2* A 0 21 220.326 66.824 98.781 1.00737.35 C ATOM 444 O2* A 0 21 221.439 67.256 99.538 1.00737.35 O ATOM 445 C1* A 0 21 219.774 67.989 97.957 1.00737.35 C ATOM 446 N9 A 0 21 218.314 67.974 97.822 1.00737.35 N ATOM 447 C8 A 0 21 217.564 67.530 96.759 1.00737.35 C ATOM 448 N7 A 0 21 216.272 67.648 96.936 1.00737.35 N ATOM 449 C5 A 0 21 216.160 68.208 98.202 1.00737.35 C ATOM 450 C6 A 0 21 215.046 68.582 98.977 1.00737.35 C ATOM 451 N6 A 0 21 213.780 68.445 98.571 1.00737.35 N ATOM 452 N1 A 0 21 215.280 69.109 100.195 1.00737.35 N ATOM 453 C2 A 0 21 216.548 69.247 100.603 1.00737.35 C ATOM 454 N3 A 0 21 217.675 68.934 99.970 1.00737.35 N ATOM 455 C4 A 0 21 217.409 68.413 98.760 1.00737.35 C ATOM 456 P C 0 22 221.288 63.533 98.818 1.00737.35 P ATOM 457 O1P C 0 22 222.526 62.731 98.982 1.00737.35 O ATOM 458 O2P C 0 22 220.132 62.954 98.082 1.00737.35 O ATOM 459 O5* C 0 22 220.783 63.981 100.263 1.00737.35 O ATOM 460 C5* C 0 22 221.688 64.542 101.212 1.00737.35 C ATOM 461 C4* C 0 22 220.944 65.002 102.444 1.00737.35 C ATOM 462 O4* C 0 22 220.021 66.062 102.084 1.00737.35 O ATOM 463 C3* C 0 22 220.067 63.961 103.121 1.00737.35 C ATOM 464 O3* C 0 22 220.830 63.138 103.999 1.00737.35 O ATOM 465 C2* C 0 22 219.067 64.825 103.879 1.00737.35 C ATOM 466 O2* C 0 22 219.572 65.322 105.102 1.00737.35 O ATOM 467 C1* C 0 22 218.859 65.983 102.896 1.00737.35 C ATOM 468 N1 C 0 22 217.677 65.812 102.025 1.00737.35 N ATOM 469 C2 C 0 22 216.429 66.274 102.478 1.00737.35 C ATOM 470 O2 C 0 22 216.351 66.819 103.594 1.00737.35 O ATOM 471 N3 C 0 22 215.343 66.117 101.688 1.00737.35 N ATOM 472 C4 C 0 22 215.461 65.529 100.496 1.00737.35 C ATOM 473 N4 C 0 22 214.361 65.394 99.753 1.00737.35 N ATOM 474 C5 C 0 22 216.714 65.050 100.011 1.00737.35 C ATOM 475 C6 C 0 22 217.785 65.210 100.799 1.00737.35 C ATOM 476 P G 0 23 220.331 61.646 104.330 1.00737.35 P ATOM 477 O1P G 0 23 221.265 61.081 105.339 1.00737.35 O ATOM 478 O2P G 0 23 220.117 60.928 103.048 1.00737.35 O ATOM 479 O5* G 0 23 218.919 61.865 105.031 1.00737.35 O ATOM 480 C5* G 0 23 218.028 60.775 105.248 1.00737.35 C ATOM 481 C4* G 0 23 216.860 61.219 106.096 1.00737.35 C ATOM 482 O4* G 0 23 216.227 62.370 105.475 1.00737.35 O ATOM 483 C3* G 0 23 215.738 60.206 106.250 1.00737.35 C ATOM 484 O3* G 0 23 216.016 59.293 107.309 1.00737.35 O ATOM 485 C2* G 0 23 214.541 61.097 106.565 1.00737.35 C ATOM 486 O2* G 0 23 214.488 61.503 107.918 1.00737.35 O ATOM 487 C1* G 0 23 214.823 62.309 105.673 1.00737.35 C ATOM 488 N9 G 0 23 214.177 62.231 104.364 1.00737.35 N ATOM 489 C8 G 0 23 214.695 61.688 103.211 1.00737.35 C ATOM 490 N7 G 0 23 213.877 61.765 102.197 1.00737.35 N ATOM 491 C5 G 0 23 212.751 62.394 102.707 1.00737.35 C ATOM 492 C6 G 0 23 211.531 62.750 102.076 1.00737.35 C ATOM 493 O6 G 0 23 211.191 62.574 100.900 1.00737.35 O ATOM 494 N1 G 0 23 210.661 63.373 102.963 1.00737.35 N ATOM 495 C2 G 0 23 210.926 63.624 104.286 1.00737.35 C ATOM 496 N2 G 0 23 209.954 64.237 104.979 1.00737.35 N ATOM 497 N3 G 0 23 212.056 63.299 104.888 1.00737.35 N ATOM 498 C4 G 0 23 212.920 62.690 104.046 1.00737.35 C ATOM 499 P G 0 24 215.312 57.846 107.325 1.00737.35 P ATOM 500 O1P G 0 24 215.909 57.081 108.450 1.00737.35 O ATOM 501 O2P G 0 24 215.354 57.282 105.949 1.00737.35 O ATOM 502 O5* G 0 24 213.793 58.163 107.687 1.00737.35 O ATOM 503 C5* G 0 24 213.440 58.697 108.964 1.00737.35 C ATOM 504 C4* G 0 24 211.972 59.059 108.996 1.00737.35 C ATOM 505 O4* G 0 24 211.711 60.103 108.025 1.00737.35 O ATOM 506 C3* G 0 24 211.005 57.946 108.626 1.00737.35 C ATOM 507 O3* G 0 24 210.726 57.123 109.756 1.00737.35 O ATOM 508 C2* G 0 24 209.775 58.725 108.173 1.00737.35 C ATOM 509 O2* G 0 24 208.978 59.177 109.248 1.00737.35 O ATOM 510 C1* G 0 24 210.417 59.926 107.471 1.00737.35 C ATOM 511 N9 G 0 24 210.544 59.769 106.024 1.00737.35 N ATOM 512 C8 G 0 24 211.672 59.427 105.319 1.00737.35 C ATOM 513 N7 G 0 24 211.476 59.370 104.029 1.00737.35 N ATOM 514 C5 G 0 24 210.136 59.693 103.872 1.00737.35 C ATOM 515 C6 G 0 24 209.345 59.793 102.695 1.00737.35 C ATOM 516 O6 G 0 24 209.686 59.613 101.519 1.00737.35 O ATOM 517 N1 G 0 24 208.032 60.143 102.992 1.00737.35 N ATOM 518 C2 G 0 24 207.539 60.368 104.251 1.00737.35 C ATOM 519 N2 G 0 24 206.240 60.695 104.330 1.00737.35 N ATOM 520 N3 G 0 24 208.263 60.281 105.356 1.00737.35 N ATOM 521 C4 G 0 24 209.543 59.940 105.093 1.00737.35 C ATOM 522 P U 0 25 210.269 55.595 109.541 1.00737.35 P ATOM 523 O1P U 0 25 210.349 54.924 110.865 1.00737.35 O ATOM 524 O2P U 0 25 211.020 55.032 108.390 1.00737.35 O ATOM 525 O5* U 0 25 208.734 55.706 109.129 1.00737.35 O ATOM 526 C5* U 0 25 207.740 56.080 110.084 1.00737.35 C ATOM 527 C4* U 0 25 206.382 56.160 109.425 1.00737.35 C ATOM 528 O4* U 0 25 206.402 57.205 108.418 1.00737.35 O ATOM 529 C3* U 0 25 205.937 54.912 108.676 1.00737.35 C ATOM 530 O3* U 0 25 205.303 53.994 109.563 1.00737.35 O ATOM 531 C2* U 0 25 204.953 55.475 107.657 1.00737.35 C ATOM 532 O2* U 0 25 203.663 55.692 108.189 1.00737.35 O ATOM 533 C1* U 0 25 205.602 56.819 107.313 1.00737.35 C ATOM 534 N1 U 0 25 206.450 56.789 106.108 1.00737.35 N ATOM 535 C2 U 0 25 205.848 57.037 104.883 1.00737.35 C ATOM 536 O2 U 0 25 204.655 57.269 104.759 1.00737.35 O ATOM 537 N3 U 0 25 206.696 57.005 103.803 1.00737.35 N ATOM 538 C4 U 0 25 208.053 56.753 103.817 1.00737.35 C ATOM 539 O4 U 0 25 208.684 56.776 102.761 1.00737.35 O ATOM 540 C5 U 0 25 208.598 56.502 105.114 1.00737.35 C ATOM 541 C6 U 0 25 207.803 56.526 106.187 1.00737.35 C ATOM 542 P G 0 26 205.632 52.422 109.460 1.00737.35 P ATOM 543 O1P G 0 26 204.711 51.720 110.393 1.00737.35 O ATOM 544 O2P G 0 26 207.099 52.242 109.607 1.00737.35 O ATOM 545 O5* G 0 26 205.227 52.031 107.972 1.00737.35 O ATOM 546 C5* G 0 26 203.876 52.130 107.523 1.00737.35 C ATOM 547 C4* G 0 26 203.815 52.000 106.018 1.00737.35 C ATOM 548 O4* G 0 26 204.583 53.079 105.423 1.00737.35 O ATOM 549 C3* G 0 26 204.421 50.728 105.443 1.00737.35 C ATOM 550 O3* G 0 26 203.462 49.673 105.424 1.00737.35 O ATOM 551 C2* G 0 26 204.822 51.164 104.039 1.00737.35 C ATOM 552 O2* G 0 26 203.740 51.163 103.129 1.00737.35 O ATOM 553 C1* G 0 26 205.287 52.601 104.287 1.00737.35 C ATOM 554 N9 G 0 26 206.717 52.725 104.556 1.00737.35 N ATOM 555 C8 G 0 26 207.368 52.429 105.731 1.00737.35 C ATOM 556 N7 G 0 26 208.653 52.651 105.676 1.00737.35 N ATOM 557 C5 G 0 26 208.867 53.121 104.387 1.00737.35 C ATOM 558 C6 G 0 26 210.062 53.532 103.747 1.00737.35 C ATOM 559 O6 G 0 26 211.212 53.563 104.205 1.00737.35 O ATOM 560 N1 G 0 26 209.829 53.934 102.437 1.00737.35 N ATOM 561 C2 G 0 26 208.602 53.944 101.819 1.00737.35 C ATOM 562 N2 G 0 26 208.586 54.369 100.548 1.00737.35 N ATOM 563 N3 G 0 26 207.478 53.565 102.406 1.00737.35 N ATOM 564 C4 G 0 26 207.682 53.169 103.681 1.00737.35 C ATOM 565 P G 0 27 203.950 48.141 105.485 1.00737.35 P ATOM 566 O1P G 0 27 202.740 47.305 105.697 1.00737.35 O ATOM 567 O2P G 0 27 205.084 48.038 106.440 1.00737.35 O ATOM 568 O5* G 0 27 204.503 47.847 104.021 1.00737.35 O ATOM 569 C5* G 0 27 203.652 47.944 102.881 1.00737.35 C ATOM 570 C4* G 0 27 204.473 48.078 101.617 1.00737.35 C ATOM 571 O4* G 0 27 205.331 49.243 101.743 1.00737.35 O ATOM 572 C3* G 0 27 205.428 46.931 101.317 1.00737.35 C ATOM 573 O3* G 0 27 204.763 45.889 100.605 1.00737.35 O ATOM 574 C2* G 0 27 206.495 47.613 100.468 1.00737.35 C ATOM 575 O2* G 0 27 206.102 47.780 99.120 1.00737.35 O ATOM 576 C1* G 0 27 206.595 48.979 101.152 1.00737.35 C ATOM 577 N9 G 0 27 207.610 49.033 102.201 1.00737.35 N ATOM 578 C8 G 0 27 207.575 48.408 103.425 1.00737.35 C ATOM 579 N7 G 0 27 208.631 48.643 104.152 1.00737.35 N ATOM 580 C5 G 0 27 209.414 49.474 103.364 1.00737.35 C ATOM 581 C6 G 0 27 210.678 50.059 103.622 1.00737.35 C ATOM 582 O6 G 0 27 211.386 49.958 104.633 1.00737.35 O ATOM 583 N1 G 0 27 211.110 50.835 102.552 1.00737.35 N ATOM 584 C2 G 0 27 210.415 51.026 101.383 1.00737.35 C ATOM 585 N2 G 0 27 210.998 51.820 100.472 1.00737.35 N ATOM 586 N3 G 0 27 209.236 50.483 101.130 1.00737.35 N ATOM 587 C4 G 0 27 208.797 49.725 102.156 1.00737.35 C ATOM 588 P A 0 28 205.548 44.528 100.248 1.00737.35 P ATOM 589 O1P A 0 28 204.525 43.470 100.059 1.00737.35 O ATOM 590 O2P A 0 28 206.638 44.326 101.237 1.00737.35 O ATOM 591 O5* A 0 28 206.217 44.831 98.832 1.00737.35 O ATOM 592 C5* A 0 28 205.407 45.058 97.675 1.00737.35 C ATOM 593 C4* A 0 28 206.268 45.453 96.495 1.00737.35 C ATOM 594 O4* A 0 28 206.964 46.692 96.797 1.00737.35 O ATOM 595 C3* A 0 28 207.379 44.483 96.112 1.00737.35 C ATOM 596 O3* A 0 28 206.886 43.441 95.275 1.00737.35 O ATOM 597 C2* A 0 28 208.349 45.390 95.366 1.00737.35 C ATOM 598 O2* A 0 28 207.967 45.632 94.026 1.00737.35 O ATOM 599 C1* A 0 28 208.242 46.685 96.178 1.00737.35 C ATOM 600 N9 A 0 28 209.267 46.793 97.215 1.00737.35 N ATOM 601 C8 A 0 28 209.196 46.384 98.527 1.00737.35 C ATOM 602 N7 A 0 28 210.289 46.610 99.211 1.00737.35 N ATOM 603 C5 A 0 28 211.138 47.211 98.295 1.00737.35 C ATOM 604 C6 A 0 28 212.456 47.691 98.398 1.00737.35 C ATOM 605 N6 A 0 28 213.178 47.636 99.521 1.00737.35 N ATOM 606 N1 A 0 28 213.017 48.235 97.297 1.00737.35 N ATOM 607 C2 A 0 28 212.294 48.286 96.170 1.00737.35 C ATOM 608 N3 A 0 28 211.051 47.867 95.947 1.00737.35 N ATOM 609 C4 A 0 28 210.523 47.333 97.062 1.00737.35 C ATOM 610 P U 0 29 207.637 42.020 95.243 1.00737.35 P ATOM 611 O1P U 0 29 206.860 41.134 94.337 1.00737.35 O ATOM 612 O2P U 0 29 207.897 41.592 96.641 1.00737.35 O ATOM 613 O5* U 0 29 209.036 42.339 94.548 1.00737.35 O ATOM 614 C5* U 0 29 209.101 42.774 93.191 1.00737.35 C ATOM 615 C4* U 0 29 210.496 43.249 92.855 1.00737.35 C ATOM 616 O4* U 0 29 210.830 44.385 93.694 1.00737.35 O ATOM 617 C3* U 0 29 211.615 42.250 93.108 1.00737.35 C ATOM 618 O3* U 0 29 211.769 41.365 92.003 1.00737.35 O ATOM 619 C2* U 0 29 212.827 43.160 93.281 1.00737.35 C ATOM 620 O2* U 0 29 213.376 43.592 92.052 1.00737.35 O ATOM 621 C1* U 0 29 212.212 44.349 94.021 1.00737.35 C ATOM 622 N1 U 0 29 212.349 44.271 95.487 1.00737.35 N ATOM 623 C2 U 0 29 213.497 44.797 96.060 1.00737.35 C ATOM 624 O2 U 0 29 214.392 45.316 95.410 1.00737.35 O ATOM 625 N3 U 0 29 213.562 44.692 97.428 1.00737.35 N ATOM 626 C4 U 0 29 212.621 44.129 98.264 1.00737.35 C ATOM 627 O4 U 0 29 212.822 44.120 99.480 1.00737.35 O ATOM 628 C5 U 0 29 211.468 43.607 97.600 1.00737.35 C ATOM 629 C6 U 0 29 211.372 43.693 96.271 1.00737.35 C ATOM 630 P G 0 30 212.328 39.877 92.243 1.00737.35 P ATOM 631 O1P G 0 30 212.350 39.194 90.923 1.00737.35 O ATOM 632 O2P G 0 30 211.577 39.268 93.371 1.00737.35 O ATOM 633 O5* G 0 30 213.835 40.105 92.716 1.00737.35 O ATOM 634 C5* G 0 30 214.833 40.545 91.797 1.00737.35 C ATOM 635 C4* G 0 30 216.142 40.770 92.518 1.00737.35 C ATOM 636 O4* G 0 30 215.988 41.859 93.467 1.00737.35 O ATOM 637 C3* G 0 30 216.639 39.604 93.360 1.00737.35 C ATOM 638 O3* G 0 30 217.355 38.663 92.568 1.00737.35 O ATOM 639 C2* G 0 30 217.532 40.299 94.380 1.00737.35 C ATOM 640 O2* G 0 30 218.817 40.608 93.877 1.00737.35 O ATOM 641 C1* G 0 30 216.749 41.589 94.635 1.00737.35 C ATOM 642 N9 G 0 30 215.831 41.493 95.768 1.00737.35 N ATOM 643 C8 G 0 30 214.517 41.085 95.742 1.00737.35 C ATOM 644 N7 G 0 30 213.954 41.098 96.920 1.00737.35 N ATOM 645 C5 G 0 30 214.953 41.538 97.775 1.00737.35 C ATOM 646 C6 G 0 30 214.932 41.752 99.177 1.00737.35 C ATOM 647 O6 G 0 30 213.995 41.589 99.968 1.00737.35 O ATOM 648 N1 G 0 30 216.163 42.201 99.641 1.00737.35 N ATOM 649 C2 G 0 30 217.273 42.418 98.863 1.00737.35 C ATOM 650 N2 G 0 30 218.371 42.853 99.501 1.00737.35 N ATOM 651 N3 G 0 30 217.306 42.225 97.555 1.00737.35 N ATOM 652 C4 G 0 30 216.119 41.787 97.081 1.00737.35 C ATOM 653 P C 0 31 217.333 37.105 92.969 1.00737.35 P ATOM 654 O1P C 0 31 217.935 36.353 91.836 1.00737.35 O ATOM 655 O2P C 0 31 215.966 36.756 93.434 1.00737.35 O ATOM 656 O5* C 0 31 218.322 37.016 94.217 1.00737.35 O ATOM 657 C5* C 0 31 219.736 36.995 94.033 1.00737.35 C ATOM 658 C4* C 0 31 220.435 36.642 95.327 1.00737.35 C ATOM 659 O4* C 0 31 220.278 37.722 96.282 1.00737.35 O ATOM 660 C3* C 0 31 219.906 35.414 96.053 1.00737.35 C ATOM 661 O3* C 0 31 220.480 34.222 95.524 1.00737.35 O ATOM 662 C2* C 0 31 220.351 35.671 97.490 1.00737.35 C ATOM 663 O2* C 0 31 221.699 35.318 97.728 1.00737.35 O ATOM 664 C1* C 0 31 220.189 37.191 97.596 1.00737.35 C ATOM 665 N1 C 0 31 218.908 37.613 98.197 1.00737.35 N ATOM 666 C2 C 0 31 218.738 37.505 99.590 1.00737.35 C ATOM 667 O2 C 0 31 219.666 37.052 100.288 1.00737.35 O ATOM 668 N3 C 0 31 217.567 37.894 100.140 1.00737.35 N ATOM 669 C4 C 0 31 216.588 38.373 99.367 1.00737.35 C ATOM 670 N4 C 0 31 215.452 38.745 99.963 1.00737.35 N ATOM 671 C5 C 0 31 216.731 38.491 97.955 1.00737.35 C ATOM 672 C6 C 0 31 217.894 38.104 97.417 1.00737.35 C ATOM 673 P C 0 32 219.685 32.828 95.646 1.00737.35 P ATOM 674 O1P C 0 32 220.531 31.785 95.010 1.00737.35 O ATOM 675 O2P C 0 32 218.293 33.034 95.168 1.00737.35 O ATOM 676 O5* C 0 32 219.638 32.546 97.213 1.00737.35 O ATOM 677 C5* C 0 32 220.840 32.397 97.965 1.00737.35 C ATOM 678 C4* C 0 32 220.553 32.479 99.448 1.00737.35 C ATOM 679 O4* C 0 32 220.004 33.784 99.769 1.00737.35 O ATOM 680 C3* C 0 32 219.520 31.500 99.982 1.00737.35 C ATOM 681 O3* C 0 32 220.126 30.237 100.246 1.00737.35 O ATOM 682 C2* C 0 32 219.051 32.189 101.259 1.00737.35 C ATOM 683 O2* C 0 32 219.927 31.992 102.351 1.00737.35 O ATOM 684 C1* C 0 32 219.081 33.662 100.841 1.00737.35 C ATOM 685 N1 C 0 32 217.771 34.197 100.410 1.00737.35 N ATOM 686 C2 C 0 32 216.837 34.581 101.393 1.00737.35 C ATOM 687 O2 C 0 32 217.129 34.453 102.595 1.00737.35 O ATOM 688 N3 C 0 32 215.641 35.080 101.007 1.00737.35 N ATOM 689 C4 C 0 32 215.355 35.202 99.709 1.00737.35 C ATOM 690 N4 C 0 32 214.160 35.705 99.379 1.00737.35 N ATOM 691 C5 C 0 32 216.277 34.818 98.693 1.00737.35 C ATOM 692 C6 C 0 32 217.461 34.326 99.085 1.00737.35 C ATOM 693 P C 0 33 219.217 28.911 100.320 1.00737.35 P ATOM 694 O1P C 0 33 220.137 27.747 100.287 1.00737.35 O ATOM 695 O2P C 0 33 218.132 29.017 99.309 1.00737.35 O ATOM 696 O5* C 0 33 218.556 28.980 101.768 1.00737.35 O ATOM 697 C5* C 0 33 219.364 28.955 102.944 1.00737.35 C ATOM 698 C4* C 0 33 218.529 29.266 104.164 1.00737.35 C ATOM 699 O4* C 0 33 217.979 30.604 104.036 1.00737.35 O ATOM 700 C3* C 0 33 217.315 28.376 104.376 1.00737.35 C ATOM 701 O3* C 0 33 217.678 27.184 105.067 1.00737.35 O ATOM 702 C2* C 0 33 216.403 29.265 105.214 1.00737.35 C ATOM 703 O2* C 0 33 216.743 29.277 106.586 1.00737.35 O ATOM 704 C1* C 0 33 216.677 30.643 104.600 1.00737.35 C ATOM 705 N1 C 0 33 215.717 31.023 103.542 1.00737.35 N ATOM 706 C2 C 0 33 214.560 31.736 103.900 1.00737.35 C ATOM 707 O2 C 0 33 214.371 32.028 105.094 1.00737.35 O ATOM 708 N3 C 0 33 213.679 32.090 102.935 1.00737.35 N ATOM 709 C4 C 0 33 213.913 31.761 101.663 1.00737.35 C ATOM 710 N4 C 0 33 213.018 32.133 100.746 1.00737.35 N ATOM 711 C5 C 0 33 215.077 31.035 101.274 1.00737.35 C ATOM 712 C6 C 0 33 215.941 30.690 102.235 1.00737.35 C ATOM 713 P U 0 34 216.804 25.846 104.872 1.00737.35 P ATOM 714 O1P U 0 34 217.758 24.742 104.593 1.00737.35 O ATOM 715 O2P U 0 34 215.701 26.119 103.913 1.00737.35 O ATOM 716 O5* U 0 34 216.175 25.591 106.316 1.00737.35 O ATOM 717 C5* U 0 34 214.816 25.193 106.466 1.00737.35 C ATOM 718 C4* U 0 34 214.383 25.345 107.905 1.00737.35 C ATOM 719 O4* U 0 34 214.667 26.697 108.351 1.00737.35 O ATOM 720 C3* U 0 34 212.892 25.176 108.145 1.00737.35 C ATOM 721 O3* U 0 34 212.549 23.803 108.314 1.00737.35 O ATOM 722 C2* U 0 34 212.678 25.962 109.434 1.00737.35 C ATOM 723 O2* U 0 34 213.018 25.230 110.595 1.00737.35 O ATOM 724 C1* U 0 34 213.658 27.126 109.251 1.00737.35 C ATOM 725 N1 U 0 34 213.038 28.351 108.719 1.00737.35 N ATOM 726 C2 U 0 34 212.511 29.259 109.627 1.00737.35 C ATOM 727 O2 U 0 34 212.541 29.086 110.838 1.00737.35 O ATOM 728 N3 U 0 34 211.948 30.378 109.068 1.00737.35 N ATOM 729 C4 U 0 34 211.854 30.681 107.726 1.00737.35 C ATOM 730 O4 U 0 34 211.319 31.734 107.378 1.00737.35 O ATOM 731 C5 U 0 34 212.416 29.698 106.851 1.00737.35 C ATOM 732 C6 U 0 34 212.974 28.596 107.364 1.00737.35 C ATOM 733 P G 0 35 211.785 23.012 107.139 1.00737.35 P ATOM 734 O1P G 0 35 210.921 21.990 107.787 1.00737.35 O ATOM 735 O2P G 0 35 212.797 22.585 106.138 1.00737.35 O ATOM 736 O5* G 0 35 210.841 24.101 106.456 1.00737.35 O ATOM 737 C5* G 0 35 209.857 24.804 107.212 1.00737.35 C ATOM 738 C4* G 0 35 208.721 25.239 106.314 1.00737.35 C ATOM 739 O4* G 0 35 209.242 26.094 105.261 1.00737.35 O ATOM 740 C3* G 0 35 208.001 24.124 105.574 1.00737.35 C ATOM 741 O3* G 0 35 207.000 23.547 106.410 1.00737.35 O ATOM 742 C2* G 0 35 207.410 24.855 104.372 1.00737.35 C ATOM 743 O2* G 0 35 206.203 25.526 104.670 1.00737.35 O ATOM 744 C1* G 0 35 208.507 25.879 104.064 1.00737.35 C ATOM 745 N9 G 0 35 209.441 25.467 103.019 1.00737.35 N ATOM 746 C8 G 0 35 210.467 24.557 103.130 1.00737.35 C ATOM 747 N7 G 0 35 211.140 24.403 102.023 1.00737.35 N ATOM 748 C5 G 0 35 210.523 25.262 101.122 1.00737.35 C ATOM 749 C6 G 0 35 210.817 25.529 99.757 1.00737.35 C ATOM 750 O6 G 0 35 211.710 25.045 99.051 1.00737.35 O ATOM 751 N1 G 0 35 209.941 26.467 99.222 1.00737.35 N ATOM 752 C2 G 0 35 208.917 27.071 99.903 1.00737.35 C ATOM 753 N2 G 0 35 208.180 27.950 99.207 1.00737.35 N ATOM 754 N3 G 0 35 208.633 26.835 101.175 1.00737.35 N ATOM 755 C4 G 0 35 209.471 25.924 101.718 1.00737.35 C ATOM 756 P G 0 36 206.325 22.144 106.003 1.00737.35 P ATOM 757 O1P G 0 36 205.679 21.599 107.225 1.00737.35 O ATOM 758 O2P G 0 36 207.324 21.323 105.273 1.00737.35 O ATOM 759 O5* G 0 36 205.171 22.566 104.987 1.00737.35 O ATOM 760 C5* G 0 36 204.709 21.668 103.982 1.00737.35 C ATOM 761 C4* G 0 36 204.187 22.447 102.798 1.00737.35 C ATOM 762 O4* G 0 36 205.201 23.392 102.368 1.00737.35 O ATOM 763 C3* G 0 36 203.881 21.620 101.559 1.00737.35 C ATOM 764 O3* G 0 36 202.565 21.080 101.616 1.00737.35 O ATOM 765 C2* G 0 36 204.031 22.646 100.442 1.00737.35 C ATOM 766 O2* G 0 36 202.892 23.466 100.284 1.00737.35 O ATOM 767 C1* G 0 36 205.204 23.483 100.953 1.00737.35 C ATOM 768 N9 G 0 36 206.503 23.023 100.469 1.00737.35 N ATOM 769 C8 G 0 36 207.310 22.063 101.032 1.00737.35 C ATOM 770 N7 G 0 36 208.417 21.869 100.369 1.00737.35 N ATOM 771 C5 G 0 36 208.338 22.754 99.303 1.00737.35 C ATOM 772 C6 G 0 36 209.247 23.001 98.244 1.00737.35 C ATOM 773 O6 G 0 36 210.342 22.467 98.030 1.00737.35 O ATOM 774 N1 G 0 36 208.773 23.981 97.379 1.00737.35 N ATOM 775 C2 G 0 36 207.577 24.645 97.513 1.00737.35 C ATOM 776 N2 G 0 36 207.295 25.557 96.573 1.00737.35 N ATOM 777 N3 G 0 36 206.721 24.425 98.498 1.00737.35 N ATOM 778 C4 G 0 36 207.162 23.474 99.349 1.00737.35 C ATOM 779 P C 0 37 202.207 19.765 100.764 1.00737.35 P ATOM 780 O1P C 0 37 200.783 19.436 101.038 1.00737.35 O ATOM 781 O2P C 0 37 203.254 18.741 101.013 1.00737.35 O ATOM 782 O5* C 0 37 202.325 20.244 99.248 1.00737.35 O ATOM 783 C5* C 0 37 201.430 21.218 98.714 1.00737.35 C ATOM 784 C4* C 0 37 201.697 21.427 97.241 1.00737.35 C ATOM 785 O4* C 0 37 203.014 22.006 97.061 1.00737.35 O ATOM 786 C3* C 0 37 201.713 20.164 96.393 1.00737.35 C ATOM 787 O3* C 0 37 200.388 19.812 96.004 1.00737.35 O ATOM 788 C2* C 0 37 202.572 20.581 95.203 1.00737.35 C ATOM 789 O2* C 0 37 201.853 21.312 94.229 1.00737.35 O ATOM 790 C1* C 0 37 203.602 21.498 95.872 1.00737.35 C ATOM 791 N1 C 0 37 204.881 20.840 96.218 1.00737.35 N ATOM 792 C2 C 0 37 205.859 20.679 95.219 1.00737.35 C ATOM 793 O2 C 0 37 205.620 21.070 94.063 1.00737.35 O ATOM 794 N3 C 0 37 207.040 20.101 95.541 1.00737.35 N ATOM 795 C4 C 0 37 207.263 19.687 96.790 1.00737.35 C ATOM 796 N4 C 0 37 208.448 19.132 97.059 1.00737.35 N ATOM 797 C5 C 0 37 206.286 19.827 97.819 1.00737.35 C ATOM 798 C6 C 0 37 205.122 20.399 97.491 1.00737.35 C ATOM 799 P G 0 38 199.966 18.263 95.916 1.00737.35 P ATOM 800 O1P G 0 38 198.501 18.220 95.673 1.00737.35 O ATOM 801 O2P G 0 38 200.535 17.548 97.088 1.00737.35 O ATOM 802 O5* G 0 38 200.704 17.737 94.605 1.00737.35 O ATOM 803 C5* G 0 38 200.372 18.256 93.319 1.00737.35 C ATOM 804 C4* G 0 38 201.469 17.939 92.331 1.00737.35 C ATOM 805 O4* G 0 38 202.694 18.596 92.751 1.00737.35 O ATOM 806 C3* G 0 38 201.844 16.468 92.214 1.00737.35 C ATOM 807 O3* G 0 38 200.984 15.795 91.297 1.00737.35 O ATOM 808 C2* G 0 38 203.281 16.538 91.714 1.00737.35 C ATOM 809 O2* G 0 38 203.377 16.767 90.323 1.00737.35 O ATOM 810 C1* G 0 38 203.805 17.757 92.479 1.00737.35 C ATOM 811 N9 G 0 38 204.447 17.418 93.746 1.00737.35 N ATOM 812 C8 G 0 38 203.865 17.391 94.994 1.00737.35 C ATOM 813 N7 G 0 38 204.697 17.051 95.941 1.00737.35 N ATOM 814 C5 G 0 38 205.902 16.839 95.282 1.00737.35 C ATOM 815 C6 G 0 38 207.167 16.448 95.786 1.00737.35 C ATOM 816 O6 G 0 38 207.490 16.206 96.958 1.00737.35 O ATOM 817 N1 G 0 38 208.113 16.349 94.772 1.00737.35 N ATOM 818 C2 G 0 38 207.873 16.591 93.442 1.00737.35 C ATOM 819 N2 G 0 38 208.915 16.438 92.615 1.00737.35 N ATOM 820 N3 G 0 38 206.698 16.958 92.959 1.00737.35 N ATOM 821 C4 G 0 38 205.764 17.060 93.928 1.00737.35 C ATOM 822 P C 0 39 200.779 14.204 91.418 1.00737.35 P ATOM 823 O1P C 0 39 199.636 13.843 90.538 1.00737.35 O ATOM 824 O2P C 0 39 200.742 13.834 92.856 1.00737.35 O ATOM 825 O5* C 0 39 202.109 13.596 90.781 1.00737.35 O ATOM 826 C5* C 0 39 202.359 13.685 89.380 1.00737.35 C ATOM 827 C4* C 0 39 203.722 13.123 89.050 1.00737.35 C ATOM 828 O4* C 0 39 204.746 13.937 89.683 1.00737.35 O ATOM 829 C3* C 0 39 204.000 11.715 89.552 1.00737.35 C ATOM 830 O3* C 0 39 203.483 10.737 88.654 1.00737.35 O ATOM 831 C2* C 0 39 205.523 11.691 89.611 1.00737.35 C ATOM 832 O2* C 0 39 206.125 11.464 88.353 1.00737.35 O ATOM 833 C1* C 0 39 205.830 13.114 90.086 1.00737.35 C ATOM 834 N1 C 0 39 205.993 13.220 91.550 1.00737.35 N ATOM 835 C2 C 0 39 207.254 12.959 92.114 1.00737.35 C ATOM 836 O2 C 0 39 208.200 12.646 91.371 1.00737.35 O ATOM 837 N3 C 0 39 207.406 13.054 93.455 1.00737.35 N ATOM 838 C4 C 0 39 206.370 13.390 94.226 1.00737.35 C ATOM 839 N4 C 0 39 206.571 13.466 95.543 1.00737.35 N ATOM 840 C5 C 0 39 205.081 13.662 93.681 1.00737.35 C ATOM 841 C6 C 0 39 204.939 13.567 92.352 1.00737.35 C ATOM 842 P U 0 40 203.115 9.268 89.199 1.00737.35 P ATOM 843 O1P U 0 40 202.514 8.517 88.066 1.00737.35 O ATOM 844 O2P U 0 40 202.354 9.412 90.467 1.00737.35 O ATOM 845 O5* U 0 40 204.529 8.617 89.538 1.00737.35 O ATOM 846 C5* U 0 40 205.462 8.313 88.502 1.00737.35 C ATOM 847 C4* U 0 40 206.794 7.909 89.093 1.00737.35 C ATOM 848 O4* U 0 40 207.352 9.025 89.837 1.00737.35 O ATOM 849 C3* U 0 40 206.762 6.770 90.100 1.00737.35 C ATOM 850 O3* U 0 40 206.759 5.502 89.453 1.00737.35 O ATOM 851 C2* U 0 40 208.046 7.007 90.888 1.00737.35 C ATOM 852 O2* U 0 40 209.200 6.525 90.231 1.00737.35 O ATOM 853 C1* U 0 40 208.083 8.537 90.952 1.00737.35 C ATOM 854 N1 U 0 40 207.487 9.081 92.186 1.00737.35 N ATOM 855 C2 U 0 40 208.320 9.257 93.283 1.00737.35 C ATOM 856 O2 U 0 40 209.513 8.997 93.265 1.00737.35 O ATOM 857 N3 U 0 40 207.703 9.756 94.405 1.00737.35 N ATOM 858 C4 U 0 40 206.370 10.088 94.540 1.00737.35 C ATOM 859 O4 U 0 40 205.962 10.523 95.620 1.00737.35 O ATOM 860 C5 U 0 40 205.578 9.882 93.367 1.00737.35 C ATOM 861 C6 U 0 40 206.148 9.398 92.260 1.00737.35 C ATOM 862 P G 0 41 206.131 4.227 90.204 1.00737.35 P ATOM 863 O1P G 0 41 206.190 3.085 89.256 1.00737.35 O ATOM 864 O2P G 0 41 204.825 4.621 90.795 1.00737.35 O ATOM 865 O5* G 0 41 207.150 3.941 91.395 1.00737.35 O ATOM 866 C5* G 0 41 208.474 3.480 91.130 1.00737.35 C ATOM 867 C4* G 0 41 209.310 3.517 92.390 1.00737.35 C ATOM 868 O4* G 0 41 209.437 4.889 92.845 1.00737.35 O ATOM 869 C3* G 0 41 208.747 2.778 93.594 1.00737.35 C ATOM 870 O3* G 0 41 209.049 1.388 93.538 1.00737.35 O ATOM 871 C2* G 0 41 209.462 3.464 94.753 1.00737.35 C ATOM 872 O2* G 0 41 210.777 2.988 94.955 1.00737.35 O ATOM 873 C1* G 0 41 209.509 4.915 94.263 1.00737.35 C ATOM 874 N9 G 0 41 208.411 5.735 94.775 1.00737.35 N ATOM 875 C8 G 0 41 207.278 6.129 94.104 1.00737.35 C ATOM 876 N7 G 0 41 206.480 6.861 94.833 1.00737.35 N ATOM 877 C5 G 0 41 207.124 6.958 96.060 1.00737.35 C ATOM 878 C6 G 0 41 206.741 7.629 97.251 1.00737.35 C ATOM 879 O6 G 0 41 205.722 8.296 97.469 1.00737.35 O ATOM 880 N1 G 0 41 207.686 7.461 98.258 1.00737.35 N ATOM 881 C2 G 0 41 208.852 6.745 98.138 1.00737.35 C ATOM 882 N2 G 0 41 209.635 6.700 99.224 1.00737.35 N ATOM 883 N3 G 0 41 209.222 6.119 97.033 1.00737.35 N ATOM 884 C4 G 0 41 208.318 6.266 96.041 1.00737.35 C ATOM 885 P G 0 42 208.145 0.341 94.360 1.00737.35 P ATOM 886 O1P G 0 42 208.677 -1.017 94.080 1.00737.35 O ATOM 887 O2P G 0 42 206.715 0.638 94.089 1.00737.35 O ATOM 888 O5* G 0 42 208.445 0.690 95.887 1.00737.35 O ATOM 889 C5* G 0 42 209.739 0.468 96.449 1.00737.35 C ATOM 890 C4* G 0 42 209.774 0.925 97.890 1.00737.35 C ATOM 891 O4* G 0 42 209.566 2.360 97.951 1.00737.35 O ATOM 892 C3* G 0 42 208.696 0.354 98.796 1.00737.35 C ATOM 893 O3* G 0 42 209.072 -0.931 99.286 1.00737.35 O ATOM 894 C2* G 0 42 208.633 1.387 99.915 1.00737.35 C ATOM 895 O2* G 0 42 209.642 1.214 100.889 1.00737.35 O ATOM 896 C1* G 0 42 208.875 2.690 99.146 1.00737.35 C ATOM 897 N9 G 0 42 207.650 3.408 98.797 1.00737.35 N ATOM 898 C8 G 0 42 207.011 3.425 97.578 1.00737.35 C ATOM 899 N7 G 0 42 205.940 4.169 97.571 1.00737.35 N ATOM 900 C5 G 0 42 205.860 4.673 98.861 1.00737.35 C ATOM 901 C6 G 0 42 204.907 5.546 99.451 1.00737.35 C ATOM 902 O6 G 0 42 203.909 6.064 98.931 1.00737.35 O ATOM 903 N1 G 0 42 205.202 5.799 100.785 1.00737.35 N ATOM 904 C2 G 0 42 206.276 5.284 101.468 1.00737.35 C ATOM 905 N2 G 0 42 206.388 5.648 102.755 1.00737.35 N ATOM 906 N3 G 0 42 207.174 4.475 100.931 1.00737.35 N ATOM 907 C4 G 0 42 206.907 4.211 99.633 1.00737.35 C ATOM 908 P A 0 43 207.944 -2.044 99.561 1.00737.35 P ATOM 909 O1P A 0 43 208.632 -3.246 100.100 1.00737.35 O ATOM 910 O2P A 0 43 207.099 -2.166 98.344 1.00737.35 O ATOM 911 O5* A 0 43 207.054 -1.414 100.722 1.00737.35 O ATOM 912 C5* A 0 43 207.599 -1.175 102.020 1.00737.35 C ATOM 913 C4* A 0 43 206.677 -0.284 102.819 1.00737.35 C ATOM 914 O4* A 0 43 206.574 1.009 102.163 1.00737.35 O ATOM 915 C3* A 0 43 205.239 -0.766 102.941 1.00737.35 C ATOM 916 O3* A 0 43 205.098 -1.685 104.020 1.00737.35 O ATOM 917 C2* A 0 43 204.484 0.533 103.188 1.00737.35 C ATOM 918 O2* A 0 43 204.555 0.972 104.531 1.00737.35 O ATOM 919 C1* A 0 43 205.250 1.503 102.286 1.00737.35 C ATOM 920 N9 A 0 43 204.677 1.626 100.944 1.00737.35 N ATOM 921 C8 A 0 43 205.041 0.946 99.804 1.00737.35 C ATOM 922 N7 A 0 43 204.340 1.273 98.748 1.00737.35 N ATOM 923 C5 A 0 43 203.452 2.231 99.218 1.00737.35 C ATOM 924 C6 A 0 43 202.441 2.974 98.586 1.00737.35 C ATOM 925 N6 A 0 43 202.141 2.860 97.289 1.00737.35 N ATOM 926 N1 A 0 43 201.737 3.847 99.341 1.00737.35 N ATOM 927 C2 A 0 43 202.040 3.958 100.639 1.00737.35 C ATOM 928 N3 A 0 43 202.968 3.319 101.347 1.00737.35 N ATOM 929 C4 A 0 43 203.648 2.459 100.569 1.00737.35 C ATOM 930 P G 0 44 203.916 -2.775 103.992 1.00737.35 P ATOM 931 O1P G 0 44 204.055 -3.609 105.212 1.00737.35 O ATOM 932 O2P G 0 44 203.905 -3.425 102.656 1.00737.35 O ATOM 933 O5* G 0 44 202.588 -1.905 104.132 1.00737.35 O ATOM 934 C5* G 0 44 202.357 -1.103 105.290 1.00737.35 C ATOM 935 C4* G 0 44 201.104 -0.275 105.114 1.00737.35 C ATOM 936 O4* G 0 44 201.278 0.632 103.996 1.00737.35 O ATOM 937 C3* G 0 44 199.840 -1.050 104.777 1.00737.35 C ATOM 938 O3* G 0 44 199.226 -1.541 105.963 1.00737.35 O ATOM 939 C2* G 0 44 198.977 0.015 104.106 1.00737.35 C ATOM 940 O2* G 0 44 198.296 0.840 105.033 1.00737.35 O ATOM 941 C1* G 0 44 200.027 0.843 103.360 1.00737.35 C ATOM 942 N9 G 0 44 200.159 0.505 101.944 1.00737.35 N ATOM 943 C8 G 0 44 200.808 -0.579 101.403 1.00737.35 C ATOM 944 N7 G 0 44 200.754 -0.608 100.098 1.00737.35 N ATOM 945 C5 G 0 44 200.024 0.522 99.757 1.00737.35 C ATOM 946 C6 G 0 44 199.640 1.019 98.482 1.00737.35 C ATOM 947 O6 G 0 44 199.878 0.547 97.364 1.00737.35 O ATOM 948 N1 G 0 44 198.906 2.198 98.594 1.00737.35 N ATOM 949 C2 G 0 44 198.583 2.817 99.776 1.00737.35 C ATOM 950 N2 G 0 44 197.868 3.948 99.672 1.00737.35 N ATOM 951 N3 G 0 44 198.934 2.364 100.968 1.00737.35 N ATOM 952 C4 G 0 44 199.649 1.219 100.885 1.00737.35 C ATOM 953 P C 0 45 198.804 -3.091 106.065 1.00737.35 P ATOM 954 O1P C 0 45 199.970 -3.831 106.605 1.00737.35 O ATOM 955 O2P C 0 45 198.200 -3.510 104.774 1.00737.35 O ATOM 956 O5* C 0 45 197.661 -3.092 107.177 1.00737.35 O ATOM 957 C5* C 0 45 196.438 -2.393 106.961 1.00737.35 C ATOM 958 C4* C 0 45 196.387 -1.152 107.820 1.00737.35 C ATOM 959 O4* C 0 45 195.286 -0.311 107.391 1.00737.35 O ATOM 960 C3* C 0 45 196.139 -1.380 109.302 1.00737.35 C ATOM 961 O3* C 0 45 197.358 -1.679 109.979 1.00737.35 O ATOM 962 C2* C 0 45 195.551 -0.043 109.742 1.00737.35 C ATOM 963 O2* C 0 45 196.537 0.942 109.991 1.00737.35 O ATOM 964 C1* C 0 45 194.728 0.352 108.513 1.00737.35 C ATOM 965 N1 C 0 45 193.293 0.003 108.605 1.00737.35 N ATOM 966 C2 C 0 45 192.411 0.920 109.201 1.00737.35 C ATOM 967 O2 C 0 45 192.855 1.992 109.646 1.00737.35 O ATOM 968 N3 C 0 45 191.095 0.612 109.276 1.00737.35 N ATOM 969 C4 C 0 45 190.651 -0.549 108.791 1.00737.35 C ATOM 970 N4 C 0 45 189.344 -0.805 108.886 1.00737.35 N ATOM 971 C5 C 0 45 191.524 -1.498 108.187 1.00737.35 C ATOM 972 C6 C 0 45 192.826 -1.185 108.115 1.00737.35 C ATOM 973 P C 0 46 197.325 -2.528 111.343 1.00737.35 P ATOM 974 O1P C 0 46 198.736 -2.750 111.756 1.00737.35 O ATOM 975 O2P C 0 46 196.426 -3.695 111.154 1.00737.35 O ATOM 976 O5* C 0 46 196.647 -1.542 112.395 1.00737.35 O ATOM 977 C5* C 0 46 197.303 -0.342 112.800 1.00737.35 C ATOM 978 C4* C 0 46 196.362 0.522 113.612 1.00737.35 C ATOM 979 O4* C 0 46 195.249 0.939 112.776 1.00737.35 O ATOM 980 C3* C 0 46 195.706 -0.155 114.803 1.00737.35 C ATOM 981 O3* C 0 46 196.559 -0.124 115.942 1.00737.35 O ATOM 982 C2* C 0 46 194.454 0.689 115.004 1.00737.35 C ATOM 983 O2* C 0 46 194.697 1.887 115.715 1.00737.35 O ATOM 984 C1* C 0 46 194.066 1.011 113.558 1.00737.35 C ATOM 985 N1 C 0 46 193.063 0.088 112.989 1.00737.35 N ATOM 986 C2 C 0 46 191.700 0.374 113.172 1.00737.35 C ATOM 987 O2 C 0 46 191.369 1.388 113.811 1.00737.35 O ATOM 988 N3 C 0 46 190.774 -0.463 112.649 1.00737.35 N ATOM 989 C4 C 0 46 191.159 -1.549 111.976 1.00737.35 C ATOM 990 N4 C 0 46 190.207 -2.345 111.480 1.00737.35 N ATOM 991 C5 C 0 46 192.535 -1.866 111.779 1.00737.35 C ATOM 992 C6 C 0 46 193.443 -1.031 112.296 1.00737.35 C ATOM 993 P G 0 47 196.494 -1.316 117.018 1.00737.35 P ATOM 994 O1P G 0 47 197.475 -1.000 118.090 1.00737.35 O ATOM 995 O2P G 0 47 196.595 -2.611 116.296 1.00737.35 O ATOM 996 O5* G 0 47 195.028 -1.202 117.632 1.00737.35 O ATOM 997 C5* G 0 47 194.650 -0.078 118.421 1.00737.35 C ATOM 998 C4* G 0 47 193.169 -0.119 118.722 1.00737.35 C ATOM 999 O4* G 0 47 192.422 0.001 117.483 1.00737.35 O ATOM 1000 C3* G 0 47 192.656 -1.410 119.341 1.00737.35 C ATOM 1001 O3* G 0 47 192.838 -1.414 120.754 1.00737.35 O ATOM 1002 C2* G 0 47 191.179 -1.381 118.969 1.00737.35 C ATOM 1003 O2* G 0 47 190.404 -0.561 119.820 1.00737.35 O ATOM 1004 C1* G 0 47 191.233 -0.770 117.565 1.00737.35 C ATOM 1005 N9 G 0 47 191.252 -1.772 116.502 1.00737.35 N ATOM 1006 C8 G 0 47 192.356 -2.301 115.875 1.00737.35 C ATOM 1007 N7 G 0 47 192.053 -3.185 114.963 1.00737.35 N ATOM 1008 C5 G 0 47 190.667 -3.241 114.986 1.00737.35 C ATOM 1009 C6 G 0 47 189.766 -4.024 114.216 1.00737.35 C ATOM 1010 O6 G 0 47 190.023 -4.850 113.331 1.00737.35 O ATOM 1011 N1 G 0 47 188.443 -3.770 114.563 1.00737.35 N ATOM 1012 C2 G 0 47 188.036 -2.880 115.526 1.00737.35 C ATOM 1013 N2 G 0 47 186.711 -2.776 115.715 1.00737.35 N ATOM 1014 N3 G 0 47 188.864 -2.144 116.249 1.00737.35 N ATOM 1015 C4 G 0 47 190.155 -2.375 115.929 1.00737.35 C ATOM 1016 P A 0 48 193.138 -2.800 121.516 1.00737.35 P ATOM 1017 O1P A 0 48 194.564 -2.772 121.931 1.00737.35 O ATOM 1018 O2P A 0 48 192.639 -3.924 120.681 1.00737.35 O ATOM 1019 O5* A 0 48 192.245 -2.708 122.833 1.00737.35 O ATOM 1020 C5* A 0 48 191.527 -3.840 123.315 1.00737.35 C ATOM 1021 C4* A 0 48 190.256 -3.398 124.003 1.00737.35 C ATOM 1022 O4* A 0 48 189.492 -2.554 123.102 1.00737.35 O ATOM 1023 C3* A 0 48 189.299 -4.517 124.377 1.00737.35 C ATOM 1024 O3* A 0 48 189.653 -5.082 125.638 1.00737.35 O ATOM 1025 C2* A 0 48 187.959 -3.791 124.439 1.00737.35 C ATOM 1026 O2* A 0 48 187.754 -3.105 125.657 1.00737.35 O ATOM 1027 C1* A 0 48 188.106 -2.783 123.296 1.00737.35 C ATOM 1028 N9 A 0 48 187.533 -3.234 122.026 1.00737.35 N ATOM 1029 C8 A 0 48 187.990 -4.228 121.196 1.00737.35 C ATOM 1030 N7 A 0 48 187.258 -4.401 120.122 1.00737.35 N ATOM 1031 C5 A 0 48 186.250 -3.455 120.253 1.00737.35 C ATOM 1032 C6 A 0 48 185.151 -3.127 119.439 1.00737.35 C ATOM 1033 N6 A 0 48 184.875 -3.739 118.284 1.00737.35 N ATOM 1034 N1 A 0 48 184.337 -2.133 119.856 1.00737.35 N ATOM 1035 C2 A 0 48 184.614 -1.519 121.013 1.00737.35 C ATOM 1036 N3 A 0 48 185.615 -1.738 121.864 1.00737.35 N ATOM 1037 C4 A 0 48 186.406 -2.731 121.422 1.00737.35 C ATOM 1038 P U 0 49 190.113 -6.621 125.725 1.00737.35 P ATOM 1039 O1P U 0 49 190.000 -7.225 124.370 1.00737.35 O ATOM 1040 O2P U 0 49 189.399 -7.249 126.866 1.00737.35 O ATOM 1041 O5* U 0 49 191.663 -6.532 126.087 1.00737.35 O ATOM 1042 C5* U 0 49 192.092 -6.221 127.413 1.00737.35 C ATOM 1043 C4* U 0 49 193.601 -6.258 127.498 1.00737.35 C ATOM 1044 O4* U 0 49 194.066 -7.569 127.079 1.00737.35 O ATOM 1045 C3* U 0 49 194.345 -5.284 126.595 1.00737.35 C ATOM 1046 O3* U 0 49 194.476 -4.013 127.232 1.00737.35 O ATOM 1047 C2* U 0 49 195.700 -5.962 126.430 1.00737.35 C ATOM 1048 O2* U 0 49 196.572 -5.734 127.520 1.00737.35 O ATOM 1049 C1* U 0 49 195.301 -7.441 126.392 1.00737.35 C ATOM 1050 N1 U 0 49 195.145 -7.979 125.030 1.00737.35 N ATOM 1051 C2 U 0 49 196.277 -8.463 124.390 1.00737.35 C ATOM 1052 O2 U 0 49 197.389 -8.462 124.902 1.00737.35 O ATOM 1053 N3 U 0 49 196.066 -8.950 123.124 1.00737.35 N ATOM 1054 C4 U 0 49 194.867 -9.003 122.444 1.00737.35 C ATOM 1055 O4 U 0 49 194.838 -9.475 121.304 1.00737.35 O ATOM 1056 C5 U 0 49 193.746 -8.486 123.165 1.00737.35 C ATOM 1057 C6 U 0 49 193.917 -8.004 124.401 1.00737.35 C ATOM 1058 P G 0 50 194.782 -2.698 126.353 1.00737.35 P ATOM 1059 O1P G 0 50 195.422 -3.126 125.081 1.00737.35 O ATOM 1060 O2P G 0 50 195.482 -1.725 127.232 1.00737.35 O ATOM 1061 O5* G 0 50 193.340 -2.115 126.005 1.00737.35 O ATOM 1062 C5* G 0 50 193.157 -0.727 125.731 1.00737.35 C ATOM 1063 C4* G 0 50 191.833 -0.501 125.040 1.00737.35 C ATOM 1064 O4* G 0 50 190.767 -1.052 125.855 1.00737.35 O ATOM 1065 C3* G 0 50 191.434 0.956 124.848 1.00737.35 C ATOM 1066 O3* G 0 50 192.022 1.504 123.672 1.00737.35 O ATOM 1067 C2* G 0 50 189.918 0.859 124.718 1.00737.35 C ATOM 1068 O2* G 0 50 189.493 0.493 123.417 1.00737.35 O ATOM 1069 C1* G 0 50 189.595 -0.269 125.703 1.00737.35 C ATOM 1070 N9 G 0 50 189.176 0.203 127.020 1.00737.35 N ATOM 1071 C8 G 0 50 189.972 0.745 128.005 1.00737.35 C ATOM 1072 N7 G 0 50 189.304 1.078 129.076 1.00737.35 N ATOM 1073 C5 G 0 50 187.992 0.737 128.785 1.00737.35 C ATOM 1074 C6 G 0 50 186.814 0.862 129.569 1.00737.35 C ATOM 1075 O6 G 0 50 186.693 1.316 130.713 1.00737.35 O ATOM 1076 N1 G 0 50 185.696 0.392 128.888 1.00737.35 N ATOM 1077 C2 G 0 50 185.704 -0.133 127.622 1.00737.35 C ATOM 1078 N2 G 0 50 184.519 -0.534 127.137 1.00737.35 N ATOM 1079 N3 G 0 50 186.795 -0.257 126.880 1.00737.35 N ATOM 1080 C4 G 0 50 187.894 0.196 127.520 1.00737.35 C ATOM 1081 P A 0 51 192.510 3.037 123.666 1.00737.35 P ATOM 1082 O1P A 0 51 193.869 3.071 124.263 1.00737.35 O ATOM 1083 O2P A 0 51 191.433 3.878 124.248 1.00737.35 O ATOM 1084 O5* A 0 51 192.633 3.398 122.118 1.00737.35 O ATOM 1085 C5* A 0 51 193.592 2.748 121.284 1.00737.35 C ATOM 1086 C4* A 0 51 193.411 3.178 119.845 1.00737.35 C ATOM 1087 O4* A 0 51 192.094 2.775 119.389 1.00737.35 O ATOM 1088 C3* A 0 51 193.457 4.678 119.593 1.00737.35 C ATOM 1089 O3* A 0 51 194.798 5.132 119.444 1.00737.35 O ATOM 1090 C2* A 0 51 192.662 4.811 118.298 1.00737.35 C ATOM 1091 O2* A 0 51 193.421 4.503 117.145 1.00737.35 O ATOM 1092 C1* A 0 51 191.574 3.753 118.501 1.00737.35 C ATOM 1093 N9 A 0 51 190.340 4.292 119.076 1.00737.35 N ATOM 1094 C8 A 0 51 190.042 4.488 120.406 1.00737.35 C ATOM 1095 N7 A 0 51 188.850 4.990 120.610 1.00737.35 N ATOM 1096 C5 A 0 51 188.323 5.132 119.334 1.00737.35 C ATOM 1097 C6 A 0 51 187.086 5.612 118.870 1.00737.35 C ATOM 1098 N6 A 0 51 186.115 6.056 119.673 1.00737.35 N ATOM 1099 N1 A 0 51 186.876 5.623 117.536 1.00737.35 N ATOM 1100 C2 A 0 51 187.850 5.179 116.732 1.00737.35 C ATOM 1101 N3 A 0 51 189.054 4.704 117.048 1.00737.35 N ATOM 1102 C4 A 0 51 189.229 4.708 118.380 1.00737.35 C ATOM 1103 P A 0 52 195.166 6.659 119.792 1.00737.35 P ATOM 1104 O1P A 0 52 196.634 6.807 119.625 1.00737.35 O ATOM 1105 O2P A 0 52 194.539 7.011 121.091 1.00737.35 O ATOM 1106 O5* A 0 52 194.446 7.502 118.647 1.00737.35 O ATOM 1107 C5* A 0 52 194.892 7.432 117.294 1.00737.35 C ATOM 1108 C4* A 0 52 193.952 8.197 116.388 1.00737.35 C ATOM 1109 O4* A 0 52 192.640 7.575 116.423 1.00737.35 O ATOM 1110 C3* A 0 52 193.689 9.645 116.776 1.00737.35 C ATOM 1111 O3* A 0 52 194.706 10.505 116.267 1.00737.35 O ATOM 1112 C2* A 0 52 192.342 9.916 116.115 1.00737.35 C ATOM 1113 O2* A 0 52 192.448 10.212 114.737 1.00737.35 O ATOM 1114 C1* A 0 52 191.636 8.571 116.302 1.00737.35 C ATOM 1115 N9 A 0 52 190.788 8.523 117.497 1.00737.35 N ATOM 1116 C8 A 0 52 191.126 8.101 118.762 1.00737.35 C ATOM 1117 N7 A 0 52 190.143 8.182 119.625 1.00737.35 N ATOM 1118 C5 A 0 52 189.087 8.691 118.883 1.00737.35 C ATOM 1119 C6 A 0 52 187.761 9.012 119.221 1.00737.35 C ATOM 1120 N6 A 0 52 187.252 8.860 120.445 1.00737.35 N ATOM 1121 N1 A 0 52 186.965 9.500 118.244 1.00737.35 N ATOM 1122 C2 A 0 52 187.476 9.655 117.017 1.00737.35 C ATOM 1123 N3 A 0 52 188.704 9.391 116.577 1.00737.35 N ATOM 1124 C4 A 0 52 189.470 8.905 117.570 1.00737.35 C ATOM 1125 P G 0 53 195.216 11.748 117.151 1.00737.35 P ATOM 1126 O1P G 0 53 196.122 12.556 116.294 1.00737.35 O ATOM 1127 O2P G 0 53 195.709 11.227 118.451 1.00737.35 O ATOM 1128 O5* G 0 53 193.897 12.601 117.423 1.00737.35 O ATOM 1129 C5* G 0 53 193.155 13.172 116.347 1.00737.35 C ATOM 1130 C4* G 0 53 191.851 13.747 116.853 1.00737.35 C ATOM 1131 O4* G 0 53 191.057 12.684 117.445 1.00737.35 O ATOM 1132 C3* G 0 53 191.968 14.786 117.957 1.00737.35 C ATOM 1133 O3* G 0 53 192.207 16.083 117.418 1.00737.35 O ATOM 1134 C2* G 0 53 190.605 14.693 118.634 1.00737.35 C ATOM 1135 O2* G 0 53 189.593 15.404 117.948 1.00737.35 O ATOM 1136 C1* G 0 53 190.328 13.189 118.551 1.00737.35 C ATOM 1137 N9 G 0 53 190.734 12.458 119.751 1.00737.35 N ATOM 1138 C8 G 0 53 191.952 11.872 119.995 1.00737.35 C ATOM 1139 N7 G 0 53 192.018 11.291 121.162 1.00737.35 N ATOM 1140 C5 G 0 53 190.766 11.504 121.724 1.00737.35 C ATOM 1141 C6 G 0 53 190.243 11.108 122.983 1.00737.35 C ATOM 1142 O6 G 0 53 190.800 10.467 123.883 1.00737.35 O ATOM 1143 N1 G 0 53 188.930 11.534 123.148 1.00737.35 N ATOM 1144 C2 G 0 53 188.209 12.249 122.222 1.00737.35 C ATOM 1145 N2 G 0 53 186.954 12.566 122.571 1.00737.35 N ATOM 1146 N3 G 0 53 188.683 12.625 121.047 1.00737.35 N ATOM 1147 C4 G 0 53 189.959 12.222 120.865 1.00737.35 C ATOM 1148 P G 0 54 192.883 17.218 118.338 1.00737.35 P ATOM 1149 O1P G 0 54 193.034 18.433 117.497 1.00737.35 O ATOM 1150 O2P G 0 54 194.075 16.635 119.006 1.00737.35 O ATOM 1151 O5* G 0 54 191.775 17.520 119.444 1.00737.35 O ATOM 1152 C5* G 0 54 192.120 18.131 120.685 1.00737.35 C ATOM 1153 C4* G 0 54 190.920 18.153 121.604 1.00737.35 C ATOM 1154 O4* G 0 54 190.379 16.810 121.715 1.00737.35 O ATOM 1155 C3* G 0 54 191.201 18.572 123.038 1.00737.35 C ATOM 1156 O3* G 0 54 191.179 19.991 123.173 1.00737.35 O ATOM 1157 C2* G 0 54 190.059 17.912 123.800 1.00737.35 C ATOM 1158 O2* G 0 54 188.853 18.644 123.736 1.00737.35 O ATOM 1159 C1* G 0 54 189.907 16.594 123.035 1.00737.35 C ATOM 1160 N9 G 0 54 190.655 15.483 123.618 1.00737.35 N ATOM 1161 C8 G 0 54 191.866 14.982 123.200 1.00737.35 C ATOM 1162 N7 G 0 54 192.282 13.975 123.919 1.00737.35 N ATOM 1163 C5 G 0 54 191.289 13.801 124.874 1.00737.35 C ATOM 1164 C6 G 0 54 191.186 12.861 125.932 1.00737.35 C ATOM 1165 O6 G 0 54 191.976 11.961 126.244 1.00737.35 O ATOM 1166 N1 G 0 54 190.014 13.039 126.659 1.00737.35 N ATOM 1167 C2 G 0 54 189.065 13.998 126.407 1.00737.35 C ATOM 1168 N2 G 0 54 188.003 14.014 127.227 1.00737.35 N ATOM 1169 N3 G 0 54 189.148 14.878 125.424 1.00737.35 N ATOM 1170 C4 G 0 54 190.277 14.725 124.702 1.00737.35 C ATOM 1171 P A 0 55 192.036 20.698 124.336 1.00737.35 P ATOM 1172 O1P A 0 55 191.895 22.166 124.155 1.00737.35 O ATOM 1173 O2P A 0 55 193.391 20.091 124.359 1.00737.35 O ATOM 1174 O5* A 0 55 191.283 20.285 125.679 1.00737.35 O ATOM 1175 C5* A 0 55 190.025 20.862 126.026 1.00737.35 C ATOM 1176 C4* A 0 55 189.518 20.281 127.327 1.00737.35 C ATOM 1177 O4* A 0 55 189.270 18.862 127.153 1.00737.35 O ATOM 1178 C3* A 0 55 190.478 20.365 128.506 1.00737.35 C ATOM 1179 O3* A 0 55 190.357 21.621 129.166 1.00737.35 O ATOM 1180 C2* A 0 55 190.014 19.211 129.387 1.00737.35 C ATOM 1181 O2* A 0 55 188.888 19.535 130.182 1.00737.35 O ATOM 1182 C1* A 0 55 189.619 18.166 128.342 1.00737.35 C ATOM 1183 N9 A 0 55 190.685 17.212 128.018 1.00737.35 N ATOM 1184 C8 A 0 55 191.487 17.195 126.903 1.00737.35 C ATOM 1185 N7 A 0 55 192.347 16.206 126.886 1.00737.35 N ATOM 1186 C5 A 0 55 192.099 15.527 128.070 1.00737.35 C ATOM 1187 C6 A 0 55 192.678 14.381 128.640 1.00737.35 C ATOM 1188 N6 A 0 55 193.660 13.691 128.060 1.00737.35 N ATOM 1189 N1 A 0 55 192.210 13.966 129.837 1.00737.35 N ATOM 1190 C2 A 0 55 191.217 14.662 130.409 1.00737.35 C ATOM 1191 N3 A 0 55 190.586 15.749 129.971 1.00737.35 N ATOM 1192 C4 A 0 55 191.081 16.138 128.782 1.00737.35 C ATOM 1193 P C 0 56 191.597 22.207 130.006 1.00737.35 P ATOM 1194 O1P C 0 56 191.206 23.557 130.485 1.00737.35 O ATOM 1195 O2P C 0 56 192.833 22.048 129.195 1.00737.35 O ATOM 1196 O5* C 0 56 191.704 21.239 131.268 1.00737.35 O ATOM 1197 C5* C 0 56 190.646 21.159 132.223 1.00737.35 C ATOM 1198 C4* C 0 56 190.977 20.136 133.285 1.00737.35 C ATOM 1199 O4* C 0 56 191.091 18.825 132.672 1.00737.35 O ATOM 1200 C3* C 0 56 192.303 20.345 134.005 1.00737.35 C ATOM 1201 O3* C 0 56 192.146 21.245 135.100 1.00737.35 O ATOM 1202 C2* C 0 56 192.652 18.934 134.465 1.00737.35 C ATOM 1203 O2* C 0 56 191.985 18.555 135.652 1.00737.35 O ATOM 1204 C1* C 0 56 192.138 18.094 133.292 1.00737.35 C ATOM 1205 N1 C 0 56 193.164 17.779 132.275 1.00737.35 N ATOM 1206 C2 C 0 56 194.106 16.767 132.541 1.00737.35 C ATOM 1207 O2 C 0 56 194.069 16.169 133.632 1.00737.35 O ATOM 1208 N3 C 0 56 195.032 16.471 131.602 1.00737.35 N ATOM 1209 C4 C 0 56 195.049 17.128 130.441 1.00737.35 C ATOM 1210 N4 C 0 56 195.977 16.789 129.543 1.00737.35 N ATOM 1211 C5 C 0 56 194.115 18.163 130.149 1.00737.35 C ATOM 1212 C6 C 0 56 193.200 18.454 131.084 1.00737.35 C ATOM 1213 P G 0 57 193.431 21.992 135.712 1.00737.35 P ATOM 1214 O1P G 0 57 192.941 22.924 136.757 1.00737.35 O ATOM 1215 O2P G 0 57 194.252 22.516 134.587 1.00737.35 O ATOM 1216 O5* G 0 57 194.240 20.825 136.435 1.00737.35 O ATOM 1217 C5* G 0 57 195.641 20.936 136.668 1.00737.35 C ATOM 1218 C4* G 0 57 196.232 19.570 136.929 1.00737.35 C ATOM 1219 O4* G 0 57 195.837 18.669 135.863 1.00737.35 O ATOM 1220 C3* G 0 57 197.753 19.511 136.942 1.00737.35 C ATOM 1221 O3* G 0 57 198.266 19.834 138.232 1.00737.35 O ATOM 1222 C2* G 0 57 198.022 18.057 136.568 1.00737.35 C ATOM 1223 O2* G 0 57 197.886 17.169 137.659 1.00737.35 O ATOM 1224 C1* G 0 57 196.911 17.798 135.549 1.00737.35 C ATOM 1225 N9 G 0 57 197.315 18.047 134.165 1.00737.35 N ATOM 1226 C8 G 0 57 197.038 19.161 133.408 1.00737.35 C ATOM 1227 N7 G 0 57 197.527 19.094 132.200 1.00737.35 N ATOM 1228 C5 G 0 57 198.168 17.864 132.156 1.00737.35 C ATOM 1229 C6 G 0 57 198.883 17.239 131.102 1.00737.35 C ATOM 1230 O6 G 0 57 199.096 17.658 129.959 1.00737.35 O ATOM 1231 N1 G 0 57 199.371 15.993 131.486 1.00737.35 N ATOM 1232 C2 G 0 57 199.195 15.421 132.724 1.00737.35 C ATOM 1233 N2 G 0 57 199.748 14.211 132.901 1.00737.35 N ATOM 1234 N3 G 0 57 198.531 15.993 133.714 1.00737.35 N ATOM 1235 C4 G 0 57 198.047 17.205 133.361 1.00737.35 C ATOM 1236 P C 0 58 199.639 20.658 138.365 1.00737.35 P ATOM 1237 O1P C 0 58 199.788 21.020 139.798 1.00737.35 O ATOM 1238 O2P C 0 58 199.658 21.729 137.333 1.00737.35 O ATOM 1239 O5* C 0 58 200.776 19.594 138.016 1.00737.35 O ATOM 1240 C5* C 0 58 201.083 19.254 136.664 1.00737.35 C ATOM 1241 C4* C 0 58 202.081 18.120 136.623 1.00737.35 C ATOM 1242 O4* C 0 58 202.314 17.738 135.242 1.00737.35 O ATOM 1243 C3* C 0 58 203.462 18.450 137.164 1.00737.35 C ATOM 1244 O3* C 0 58 203.510 18.302 138.579 1.00737.35 O ATOM 1245 C2* C 0 58 204.346 17.436 136.441 1.00737.35 C ATOM 1246 O2* C 0 58 204.326 16.156 137.041 1.00737.35 O ATOM 1247 C1* C 0 58 203.677 17.379 135.066 1.00737.35 C ATOM 1248 N1 C 0 58 204.279 18.284 134.066 1.00737.35 N ATOM 1249 C2 C 0 58 205.308 17.796 133.234 1.00737.35 C ATOM 1250 O2 C 0 58 205.682 16.619 133.356 1.00737.35 O ATOM 1251 N3 C 0 58 205.860 18.626 132.320 1.00737.35 N ATOM 1252 C4 C 0 58 205.432 19.886 132.210 1.00737.35 C ATOM 1253 N4 C 0 58 206.008 20.663 131.291 1.00737.35 N ATOM 1254 C5 C 0 58 204.393 20.403 133.037 1.00737.35 C ATOM 1255 C6 C 0 58 203.852 19.578 133.941 1.00737.35 C ATOM 1256 P G 0 59 204.666 19.041 139.422 1.00737.35 P ATOM 1257 O1P G 0 59 205.835 18.127 139.454 1.00737.35 O ATOM 1258 O2P G 0 59 204.075 19.521 140.696 1.00737.35 O ATOM 1259 O5* G 0 59 205.033 20.310 138.531 1.00737.35 O ATOM 1260 C5* G 0 59 206.347 20.859 138.540 1.00737.35 C ATOM 1261 C4* G 0 59 207.110 20.393 137.321 1.00737.35 C ATOM 1262 O4* G 0 59 206.333 20.662 136.127 1.00737.35 O ATOM 1263 C3* G 0 59 208.442 21.081 137.075 1.00737.35 C ATOM 1264 O3* G 0 59 209.476 20.455 137.831 1.00737.35 O ATOM 1265 C2* G 0 59 208.642 20.882 135.575 1.00737.35 C ATOM 1266 O2* G 0 59 209.174 19.611 135.249 1.00737.35 O ATOM 1267 C1* G 0 59 207.205 20.982 135.055 1.00737.35 C ATOM 1268 N9 G 0 59 206.830 22.295 134.525 1.00737.35 N ATOM 1269 C8 G 0 59 205.752 23.062 134.902 1.00737.35 C ATOM 1270 N7 G 0 59 205.661 24.180 134.234 1.00737.35 N ATOM 1271 C5 G 0 59 206.745 24.153 133.367 1.00737.35 C ATOM 1272 C6 G 0 59 207.165 25.097 132.394 1.00737.35 C ATOM 1273 O6 G 0 59 206.644 26.177 132.091 1.00737.35 O ATOM 1274 N1 G 0 59 208.319 24.677 131.739 1.00737.35 N ATOM 1275 C2 G 0 59 208.982 23.503 131.984 1.00737.35 C ATOM 1276 N2 G 0 59 210.083 23.281 131.252 1.00737.35 N ATOM 1277 N3 G 0 59 208.598 22.611 132.886 1.00737.35 N ATOM 1278 C4 G 0 59 207.480 22.999 133.535 1.00737.35 C ATOM 1279 P A 0 60 210.802 21.278 138.209 1.00737.35 P ATOM 1280 O1P A 0 60 211.350 21.846 136.949 1.00737.35 O ATOM 1281 O2P A 0 60 211.662 20.411 139.055 1.00737.35 O ATOM 1282 O5* A 0 60 210.271 22.488 139.104 1.00737.35 O ATOM 1283 C5* A 0 60 209.862 22.283 140.455 1.00737.35 C ATOM 1284 C4* A 0 60 210.353 23.423 141.322 1.00737.35 C ATOM 1285 O4* A 0 60 211.807 23.437 141.297 1.00737.35 O ATOM 1286 C3* A 0 60 209.942 24.811 140.855 1.00737.35 C ATOM 1287 O3* A 0 60 208.667 25.175 141.379 1.00737.35 O ATOM 1288 C2* A 0 60 211.061 25.684 141.406 1.00737.35 C ATOM 1289 O2* A 0 60 210.911 25.982 142.782 1.00737.35 O ATOM 1290 C1* A 0 60 212.273 24.774 141.201 1.00737.35 C ATOM 1291 N9 A 0 60 212.906 24.942 139.890 1.00737.35 N ATOM 1292 C8 A 0 60 212.930 24.043 138.848 1.00737.35 C ATOM 1293 N7 A 0 60 213.570 24.476 137.791 1.00737.35 N ATOM 1294 C5 A 0 60 214.001 25.742 138.158 1.00737.35 C ATOM 1295 C6 A 0 60 214.737 26.722 137.472 1.00737.35 C ATOM 1296 N6 A 0 60 215.185 26.571 136.222 1.00737.35 N ATOM 1297 N1 A 0 60 214.999 27.879 138.118 1.00737.35 N ATOM 1298 C2 A 0 60 214.548 28.027 139.371 1.00737.35 C ATOM 1299 N3 A 0 60 213.847 27.182 140.120 1.00737.35 N ATOM 1300 C4 A 0 60 213.603 26.043 139.447 1.00737.35 C ATOM 1301 P U 0 61 207.665 26.061 140.488 1.00737.35 P ATOM 1302 O1P U 0 61 206.433 26.271 141.291 1.00737.35 O ATOM 1303 O2P U 0 61 207.566 25.445 139.140 1.00737.35 O ATOM 1304 O5* U 0 61 208.414 27.462 140.339 1.00737.35 O ATOM 1305 C5* U 0 61 208.360 28.442 141.373 1.00737.35 C ATOM 1306 C4* U 0 61 208.699 29.808 140.820 1.00737.35 C ATOM 1307 O4* U 0 61 210.089 29.831 140.400 1.00737.35 O ATOM 1308 C3* U 0 61 207.921 30.221 139.581 1.00737.35 C ATOM 1309 O3* U 0 61 206.664 30.793 139.931 1.00737.35 O ATOM 1310 C2* U 0 61 208.851 31.243 138.938 1.00737.35 C ATOM 1311 O2* U 0 61 208.756 32.527 139.523 1.00737.35 O ATOM 1312 C1* U 0 61 210.225 30.636 139.240 1.00737.35 C ATOM 1313 N1 U 0 61 210.762 29.805 138.148 1.00737.35 N ATOM 1314 C2 U 0 61 211.433 30.441 137.111 1.00737.35 C ATOM 1315 O2 U 0 61 211.595 31.651 137.064 1.00737.35 O ATOM 1316 N3 U 0 61 211.908 29.605 136.130 1.00737.35 N ATOM 1317 C4 U 0 61 211.784 28.232 136.076 1.00737.35 C ATOM 1318 O4 U 0 61 212.266 27.617 135.124 1.00737.35 O ATOM 1319 C5 U 0 61 211.082 27.652 137.177 1.00737.35 C ATOM 1320 C6 U 0 61 210.607 28.434 138.150 1.00737.35 C ATOM 1321 P U 0 62 205.318 30.238 139.247 1.00737.35 P ATOM 1322 O1P U 0 62 204.216 31.156 139.633 1.00737.35 O ATOM 1323 O2P U 0 62 205.206 28.788 139.554 1.00737.35 O ATOM 1324 O5* U 0 62 205.580 30.409 137.684 1.00737.35 O ATOM 1325 C5* U 0 62 204.937 29.562 136.734 1.00737.35 C ATOM 1326 C4* U 0 62 205.458 29.844 135.346 1.00737.35 C ATOM 1327 O4* U 0 62 206.907 29.751 135.349 1.00737.35 O ATOM 1328 C3* U 0 62 205.021 28.861 134.272 1.00737.35 C ATOM 1329 O3* U 0 62 203.747 29.216 133.740 1.00737.35 O ATOM 1330 C2* U 0 62 206.123 29.005 133.230 1.00737.35 C ATOM 1331 O2* U 0 62 205.949 30.128 132.388 1.00737.35 O ATOM 1332 C1* U 0 62 207.356 29.210 134.115 1.00737.35 C ATOM 1333 N1 U 0 62 208.104 27.971 134.387 1.00737.35 N ATOM 1334 C2 U 0 62 209.141 27.638 133.527 1.00737.35 C ATOM 1335 O2 U 0 62 209.457 28.324 132.564 1.00737.35 O ATOM 1336 N3 U 0 62 209.796 26.470 133.833 1.00737.35 N ATOM 1337 C4 U 0 62 209.529 25.617 134.883 1.00737.35 C ATOM 1338 O4 U 0 62 210.211 24.602 135.025 1.00737.35 O ATOM 1339 C5 U 0 62 208.449 26.028 135.725 1.00737.35 C ATOM 1340 C6 U 0 62 207.788 27.159 135.457 1.00737.35 C ATOM 1341 P A 0 63 202.621 28.084 133.543 1.00737.35 P ATOM 1342 O1P A 0 63 201.990 27.860 134.871 1.00737.35 O ATOM 1343 O2P A 0 63 203.229 26.938 132.817 1.00737.35 O ATOM 1344 O5* A 0 63 201.557 28.771 132.574 1.00737.35 O ATOM 1345 C5* A 0 63 200.173 28.833 132.915 1.00737.35 C ATOM 1346 C4* A 0 63 199.389 29.495 131.803 1.00737.35 C ATOM 1347 O4* A 0 63 199.904 30.837 131.596 1.00737.35 O ATOM 1348 C3* A 0 63 199.508 28.828 130.439 1.00737.35 C ATOM 1349 O3* A 0 63 198.545 27.786 130.298 1.00737.35 O ATOM 1350 C2* A 0 63 199.223 29.983 129.487 1.00737.35 C ATOM 1351 O2* A 0 63 197.842 30.256 129.337 1.00737.35 O ATOM 1352 C1* A 0 63 199.903 31.147 130.212 1.00737.35 C ATOM 1353 N9 A 0 63 201.287 31.370 129.788 1.00737.35 N ATOM 1354 C8 A 0 63 202.442 31.068 130.468 1.00737.35 C ATOM 1355 N7 A 0 63 203.537 31.391 129.822 1.00737.35 N ATOM 1356 C5 A 0 63 203.075 31.942 128.636 1.00737.35 C ATOM 1357 C6 A 0 63 203.738 32.480 127.521 1.00737.35 C ATOM 1358 N6 A 0 63 205.067 32.555 127.415 1.00737.35 N ATOM 1359 N1 A 0 63 202.982 32.948 126.504 1.00737.35 N ATOM 1360 C2 A 0 63 201.650 32.874 126.612 1.00737.35 C ATOM 1361 N3 A 0 63 200.909 32.393 127.605 1.00737.35 N ATOM 1362 C4 A 0 63 201.692 31.938 128.600 1.00737.35 C ATOM 1363 P C 0 64 198.963 26.397 129.602 1.00737.35 P ATOM 1364 O1P C 0 64 197.720 25.603 129.421 1.00737.35 O ATOM 1365 O2P C 0 64 200.097 25.816 130.365 1.00737.35 O ATOM 1366 O5* C 0 64 199.498 26.823 128.162 1.00737.35 O ATOM 1367 C5* C 0 64 198.658 27.514 127.238 1.00737.35 C ATOM 1368 C4* C 0 64 199.333 27.613 125.889 1.00737.35 C ATOM 1369 O4* C 0 64 200.579 28.347 126.033 1.00737.35 O ATOM 1370 C3* C 0 64 199.741 26.289 125.263 1.00737.35 C ATOM 1371 O3* C 0 64 198.654 25.714 124.542 1.00737.35 O ATOM 1372 C2* C 0 64 200.882 26.704 124.341 1.00737.35 C ATOM 1373 O2* C 0 64 200.438 27.249 123.113 1.00737.35 O ATOM 1374 C1* C 0 64 201.565 27.793 125.173 1.00737.35 C ATOM 1375 N1 C 0 64 202.687 27.298 125.999 1.00737.35 N ATOM 1376 C2 C 0 64 203.968 27.211 125.425 1.00737.35 C ATOM 1377 O2 C 0 64 204.127 27.548 124.237 1.00737.35 O ATOM 1378 N3 C 0 64 204.998 26.761 126.178 1.00737.35 N ATOM 1379 C4 C 0 64 204.793 26.406 127.447 1.00737.35 C ATOM 1380 N4 C 0 64 205.842 25.968 128.151 1.00737.35 N ATOM 1381 C5 C 0 64 203.505 26.481 128.055 1.00737.35 C ATOM 1382 C6 C 0 64 202.494 26.929 127.303 1.00737.35 C ATOM 1383 P C 0 65 198.510 24.114 124.455 1.00737.35 P ATOM 1384 O1P C 0 65 197.171 23.826 123.879 1.00737.35 O ATOM 1385 O2P C 0 65 198.881 23.530 125.769 1.00737.35 O ATOM 1386 O5* C 0 65 199.614 23.680 123.390 1.00737.35 O ATOM 1387 C5* C 0 65 199.478 24.024 122.011 1.00737.35 C ATOM 1388 C4* C 0 65 200.762 23.732 121.267 1.00737.35 C ATOM 1389 O4* C 0 65 201.829 24.544 121.826 1.00737.35 O ATOM 1390 C3* C 0 65 201.278 22.303 121.371 1.00737.35 C ATOM 1391 O3* C 0 65 200.675 21.460 120.392 1.00737.35 O ATOM 1392 C2* C 0 65 202.768 22.485 121.112 1.00737.35 C ATOM 1393 O2* C 0 65 203.083 22.612 119.739 1.00737.35 O ATOM 1394 C1* C 0 65 203.042 23.805 121.835 1.00737.35 C ATOM 1395 N1 C 0 65 203.484 23.628 123.235 1.00737.35 N ATOM 1396 C2 C 0 65 204.810 23.235 123.490 1.00737.35 C ATOM 1397 O2 C 0 65 205.580 23.030 122.533 1.00737.35 O ATOM 1398 N3 C 0 65 205.217 23.085 124.771 1.00737.35 N ATOM 1399 C4 C 0 65 204.364 23.306 125.775 1.00737.35 C ATOM 1400 N4 C 0 65 204.815 23.145 127.022 1.00737.35 N ATOM 1401 C5 C 0 65 203.014 23.698 125.547 1.00737.35 C ATOM 1402 C6 C 0 65 202.621 23.847 124.276 1.00737.35 C ATOM 1403 P U 0 66 200.264 19.951 120.774 1.00737.35 P ATOM 1404 O1P U 0 66 199.829 19.284 119.520 1.00737.35 O ATOM 1405 O2P U 0 66 199.342 20.000 121.936 1.00737.35 O ATOM 1406 O5* U 0 66 201.625 19.269 121.247 1.00737.35 O ATOM 1407 C5* U 0 66 202.811 19.365 120.457 1.00737.35 C ATOM 1408 C4* U 0 66 204.036 19.223 121.332 1.00737.35 C ATOM 1409 O4* U 0 66 203.936 20.167 122.431 1.00737.35 O ATOM 1410 C3* U 0 66 204.221 17.874 122.012 1.00737.35 C ATOM 1411 O3* U 0 66 204.900 16.971 121.141 1.00737.35 O ATOM 1412 C2* U 0 66 205.074 18.236 123.222 1.00737.35 C ATOM 1413 O2* U 0 66 206.448 18.369 122.913 1.00737.35 O ATOM 1414 C1* U 0 66 204.498 19.600 123.605 1.00737.35 C ATOM 1415 N1 U 0 66 203.459 19.540 124.648 1.00737.35 N ATOM 1416 C2 U 0 66 203.862 19.682 125.969 1.00737.35 C ATOM 1417 O2 U 0 66 205.025 19.865 126.292 1.00737.35 O ATOM 1418 N3 U 0 66 202.847 19.608 126.897 1.00737.35 N ATOM 1419 C4 U 0 66 201.501 19.429 126.644 1.00737.35 C ATOM 1420 O4 U 0 66 200.695 19.473 127.579 1.00737.35 O ATOM 1421 C5 U 0 66 201.166 19.292 125.259 1.00737.35 C ATOM 1422 C6 U 0 66 202.132 19.347 124.334 1.00737.35 C ATOM 1423 P G 0 67 204.786 15.383 121.376 1.00737.35 P ATOM 1424 O1P G 0 67 205.125 14.734 120.083 1.00737.35 O ATOM 1425 O2P G 0 67 203.483 15.085 122.024 1.00737.35 O ATOM 1426 O5* G 0 67 205.946 15.058 122.422 1.00737.35 O ATOM 1427 C5* G 0 67 206.653 13.819 122.374 1.00737.35 C ATOM 1428 C4* G 0 67 206.784 13.227 123.759 1.00737.35 C ATOM 1429 O4* G 0 67 207.636 14.065 124.577 1.00737.35 O ATOM 1430 C3* G 0 67 205.487 13.102 124.541 1.00737.35 C ATOM 1431 O3* G 0 67 204.835 11.882 124.195 1.00737.35 O ATOM 1432 C2* G 0 67 205.973 13.104 125.989 1.00737.35 C ATOM 1433 O2* G 0 67 206.407 11.832 126.428 1.00737.35 O ATOM 1434 C1* G 0 67 207.170 14.056 125.917 1.00737.35 C ATOM 1435 N9 G 0 67 206.886 15.433 126.311 1.00737.35 N ATOM 1436 C8 G 0 67 206.619 16.489 125.473 1.00737.35 C ATOM 1437 N7 G 0 67 206.422 17.613 126.107 1.00737.35 N ATOM 1438 C5 G 0 67 206.563 17.282 127.446 1.00737.35 C ATOM 1439 C6 G 0 67 206.461 18.094 128.608 1.00737.35 C ATOM 1440 O6 G 0 67 206.221 19.305 128.686 1.00737.35 O ATOM 1441 N1 G 0 67 206.673 17.356 129.767 1.00737.35 N ATOM 1442 C2 G 0 67 206.947 16.013 129.808 1.00737.35 C ATOM 1443 N2 G 0 67 207.114 15.488 131.030 1.00737.35 N ATOM 1444 N3 G 0 67 207.047 15.242 128.733 1.00737.35 N ATOM 1445 C4 G 0 67 206.845 15.940 127.594 1.00737.35 C ATOM 1446 P C 0 68 203.227 11.813 124.133 1.00737.35 P ATOM 1447 O1P C 0 68 202.873 10.968 122.963 1.00737.35 O ATOM 1448 O2P C 0 68 202.671 13.188 124.239 1.00737.35 O ATOM 1449 O5* C 0 68 202.824 11.013 125.450 1.00737.35 O ATOM 1450 C5* C 0 68 203.678 10.002 125.986 1.00737.35 C ATOM 1451 C4* C 0 68 203.557 9.958 127.491 1.00737.35 C ATOM 1452 O4* C 0 68 203.819 11.287 128.019 1.00737.35 O ATOM 1453 C3* C 0 68 202.179 9.599 128.030 1.00737.35 C ATOM 1454 O3* C 0 68 202.013 8.185 128.117 1.00737.35 O ATOM 1455 C2* C 0 68 202.200 10.255 129.404 1.00737.35 C ATOM 1456 O2* C 0 68 202.931 9.512 130.362 1.00737.35 O ATOM 1457 C1* C 0 68 202.938 11.558 129.099 1.00737.35 C ATOM 1458 N1 C 0 68 202.042 12.671 128.713 1.00737.35 N ATOM 1459 C2 C 0 68 201.212 13.249 129.692 1.00737.35 C ATOM 1460 O2 C 0 68 201.248 12.811 130.855 1.00737.35 O ATOM 1461 N3 C 0 68 200.394 14.269 129.343 1.00737.35 N ATOM 1462 C4 C 0 68 200.378 14.715 128.086 1.00737.35 C ATOM 1463 N4 C 0 68 199.556 15.725 127.790 1.00737.35 N ATOM 1464 C5 C 0 68 201.204 14.147 127.074 1.00737.35 C ATOM 1465 C6 C 0 68 202.012 13.140 127.427 1.00737.35 C ATOM 1466 P G 0 69 200.534 7.555 128.212 1.00737.35 P ATOM 1467 O1P G 0 69 200.675 6.085 128.052 1.00737.35 O ATOM 1468 O2P G 0 69 199.636 8.309 127.299 1.00737.35 O ATOM 1469 O5* G 0 69 200.081 7.847 129.712 1.00737.35 O ATOM 1470 C5* G 0 69 200.845 7.364 130.816 1.00737.35 C ATOM 1471 C4* G 0 69 200.483 8.111 132.079 1.00737.35 C ATOM 1472 O4* G 0 69 200.673 9.535 131.853 1.00737.35 O ATOM 1473 C3* G 0 69 199.040 7.988 132.549 1.00737.35 C ATOM 1474 O3* G 0 69 198.802 6.726 133.204 1.00737.35 O ATOM 1475 C2* G 0 69 198.826 9.285 133.327 1.00737.35 C ATOM 1476 O2* G 0 69 199.368 9.308 134.631 1.00737.35 O ATOM 1477 C1* G 0 69 199.635 10.271 132.484 1.00737.35 C ATOM 1478 N9 G 0 69 198.868 10.971 131.457 1.00737.35 N ATOM 1479 C8 G 0 69 198.976 10.822 130.094 1.00737.35 C ATOM 1480 N7 G 0 69 198.182 11.610 129.425 1.00737.35 N ATOM 1481 C5 G 0 69 197.496 12.319 130.401 1.00737.35 C ATOM 1482 C6 G 0 69 196.506 13.326 130.279 1.00737.35 C ATOM 1483 O6 G 0 69 196.033 13.818 129.248 1.00737.35 O ATOM 1484 N1 G 0 69 196.070 13.766 131.524 1.00737.35 N ATOM 1485 C2 G 0 69 196.531 13.307 132.733 1.00737.35 C ATOM 1486 N2 G 0 69 195.977 13.860 133.826 1.00737.35 N ATOM 1487 N3 G 0 69 197.463 12.377 132.861 1.00737.35 N ATOM 1488 C4 G 0 69 197.900 11.930 131.663 1.00737.35 C ATOM 1489 P A 0 70 199.025 6.555 134.795 1.00737.35 P ATOM 1490 O1P A 0 70 200.377 7.079 135.122 1.00737.35 O ATOM 1491 O2P A 0 70 198.683 5.153 135.145 1.00737.35 O ATOM 1492 O5* A 0 70 197.934 7.498 135.477 1.00737.35 O ATOM 1493 C5* A 0 70 197.944 7.719 136.886 1.00737.35 C ATOM 1494 C4* A 0 70 198.057 9.195 137.184 1.00737.35 C ATOM 1495 O4* A 0 70 196.861 9.873 136.721 1.00737.35 O ATOM 1496 C3* A 0 70 198.149 9.567 138.656 1.00737.35 C ATOM 1497 O3* A 0 70 199.500 9.478 139.101 1.00737.35 O ATOM 1498 C2* A 0 70 197.659 11.010 138.654 1.00737.35 C ATOM 1499 O2* A 0 70 198.656 11.937 138.274 1.00737.35 O ATOM 1500 C1* A 0 70 196.567 10.960 137.582 1.00737.35 C ATOM 1501 N9 A 0 70 195.220 10.776 138.126 1.00737.35 N ATOM 1502 C8 A 0 70 194.571 9.599 138.415 1.00737.35 C ATOM 1503 N7 A 0 70 193.364 9.766 138.898 1.00737.35 N ATOM 1504 C5 A 0 70 193.207 11.144 138.933 1.00737.35 C ATOM 1505 C6 A 0 70 192.142 11.966 139.345 1.00737.35 C ATOM 1506 N6 A 0 70 190.987 11.494 139.822 1.00737.35 N ATOM 1507 N1 A 0 70 192.306 13.303 139.251 1.00737.35 N ATOM 1508 C2 A 0 70 193.464 13.773 138.772 1.00737.35 C ATOM 1509 N3 A 0 70 194.536 13.105 138.352 1.00737.35 N ATOM 1510 C4 A 0 70 194.341 11.779 138.461 1.00737.35 C ATOM 1511 P A 0 71 199.829 8.825 140.532 1.00737.35 P ATOM 1512 O1P A 0 71 199.281 7.444 140.532 1.00737.35 O ATOM 1513 O2P A 0 71 199.407 9.780 141.590 1.00737.35 O ATOM 1514 O5* A 0 71 201.420 8.721 140.549 1.00737.35 O ATOM 1515 C5* A 0 71 202.232 9.894 140.617 1.00737.35 C ATOM 1516 C4* A 0 71 203.547 9.664 139.905 1.00737.35 C ATOM 1517 O4* A 0 71 204.257 8.568 140.546 1.00737.35 O ATOM 1518 C3* A 0 71 203.447 9.237 138.450 1.00737.35 C ATOM 1519 O3* A 0 71 203.286 10.352 137.578 1.00737.35 O ATOM 1520 C2* A 0 71 204.782 8.536 138.231 1.00737.35 C ATOM 1521 O2* A 0 71 205.852 9.431 138.007 1.00737.35 O ATOM 1522 C1* A 0 71 204.968 7.821 139.569 1.00737.35 C ATOM 1523 N9 A 0 71 204.455 6.448 139.562 1.00737.35 N ATOM 1524 C8 A 0 71 203.371 5.940 140.238 1.00737.35 C ATOM 1525 N7 A 0 71 203.163 4.664 140.020 1.00737.35 N ATOM 1526 C5 A 0 71 204.176 4.306 139.142 1.00737.35 C ATOM 1527 C6 A 0 71 204.506 3.087 138.526 1.00737.35 C ATOM 1528 N6 A 0 71 203.822 1.954 138.709 1.00737.35 N ATOM 1529 N1 A 0 71 205.578 3.068 137.705 1.00737.35 N ATOM 1530 C2 A 0 71 206.265 4.201 137.520 1.00737.35 C ATOM 1531 N3 A 0 71 206.053 5.408 138.041 1.00737.35 N ATOM 1532 C4 A 0 71 204.981 5.394 138.853 1.00737.35 C ATOM 1533 P A 0 72 202.453 10.178 136.215 1.00737.35 P ATOM 1534 O1P A 0 72 201.041 9.935 136.599 1.00737.35 O ATOM 1535 O2P A 0 72 203.161 9.191 135.359 1.00737.35 O ATOM 1536 O5* A 0 72 202.531 11.603 135.507 1.00737.35 O ATOM 1537 C5* A 0 72 203.752 12.340 135.456 1.00737.35 C ATOM 1538 C4* A 0 72 204.359 12.258 134.075 1.00737.35 C ATOM 1539 O4* A 0 72 203.366 12.618 133.078 1.00737.35 O ATOM 1540 C3* A 0 72 205.521 13.201 133.814 1.00737.35 C ATOM 1541 O3* A 0 72 206.742 12.636 134.287 1.00737.35 O ATOM 1542 C2* A 0 72 205.499 13.334 132.296 1.00737.35 C ATOM 1543 O2* A 0 72 206.136 12.259 131.635 1.00737.35 O ATOM 1544 C1* A 0 72 203.995 13.302 132.005 1.00737.35 C ATOM 1545 N9 A 0 72 203.375 14.623 131.869 1.00737.35 N ATOM 1546 C8 A 0 72 202.677 15.323 132.826 1.00737.35 C ATOM 1547 N7 A 0 72 202.219 16.478 132.408 1.00737.35 N ATOM 1548 C5 A 0 72 202.644 16.547 131.088 1.00737.35 C ATOM 1549 C6 A 0 72 202.474 17.523 130.091 1.00737.35 C ATOM 1550 N6 A 0 72 201.792 18.658 130.278 1.00737.35 N ATOM 1551 N1 A 0 72 203.027 17.291 128.880 1.00737.35 N ATOM 1552 C2 A 0 72 203.694 16.145 128.694 1.00737.35 C ATOM 1553 N3 A 0 72 203.917 15.149 129.550 1.00737.35 N ATOM 1554 C4 A 0 72 203.361 15.414 130.744 1.00737.35 C ATOM 1555 P A 0 73 207.989 13.592 134.633 1.00737.35 P ATOM 1556 O1P A 0 73 208.979 12.768 135.372 1.00737.35 O ATOM 1557 O2P A 0 73 207.478 14.846 135.244 1.00737.35 O ATOM 1558 O5* A 0 73 208.604 13.950 133.206 1.00737.35 O ATOM 1559 C5* A 0 73 209.916 14.497 133.088 1.00737.35 C ATOM 1560 C4* A 0 73 210.522 14.113 131.758 1.00737.35 C ATOM 1561 O4* A 0 73 209.671 14.595 130.684 1.00737.35 O ATOM 1562 C3* A 0 73 211.894 14.697 131.460 1.00737.35 C ATOM 1563 O3* A 0 73 212.909 13.900 132.075 1.00737.35 O ATOM 1564 C2* A 0 73 211.929 14.683 129.933 1.00737.35 C ATOM 1565 O2* A 0 73 212.266 13.426 129.384 1.00737.35 O ATOM 1566 C1* A 0 73 210.473 15.008 129.591 1.00737.35 C ATOM 1567 N9 A 0 73 210.206 16.424 129.330 1.00737.35 N ATOM 1568 C8 A 0 73 209.918 16.998 128.116 1.00737.35 C ATOM 1569 N7 A 0 73 209.718 18.292 128.177 1.00737.35 N ATOM 1570 C5 A 0 73 209.890 18.593 129.522 1.00737.35 C ATOM 1571 C6 A 0 73 209.810 19.799 130.238 1.00737.35 C ATOM 1572 N6 A 0 73 209.520 20.973 129.676 1.00737.35 N ATOM 1573 N1 A 0 73 210.035 19.757 131.568 1.00737.35 N ATOM 1574 C2 A 0 73 210.320 18.576 132.131 1.00737.35 C ATOM 1575 N3 A 0 73 210.423 17.376 131.566 1.00737.35 N ATOM 1576 C4 A 0 73 210.195 17.454 130.243 1.00737.35 C ATOM 1577 P G 0 74 214.443 14.011 131.585 1.00737.35 P ATOM 1578 O1P G 0 74 215.295 13.669 132.753 1.00737.35 O ATOM 1579 O2P G 0 74 214.648 15.304 130.883 1.00737.35 O ATOM 1580 O5* G 0 74 214.565 12.833 130.516 1.00737.35 O ATOM 1581 C5* G 0 74 214.710 11.470 130.924 1.00737.35 C ATOM 1582 C4* G 0 74 213.503 11.024 131.721 1.00737.35 C ATOM 1583 O4* G 0 74 212.288 11.267 130.967 1.00737.35 O ATOM 1584 C3* G 0 74 213.435 9.544 132.062 1.00737.35 C ATOM 1585 O3* G 0 74 214.230 9.248 133.205 1.00737.35 O ATOM 1586 C2* G 0 74 211.946 9.348 132.337 1.00737.35 C ATOM 1587 O2* G 0 74 211.567 9.736 133.640 1.00737.35 O ATOM 1588 C1* G 0 74 211.317 10.295 131.310 1.00737.35 C ATOM 1589 N9 G 0 74 210.870 9.626 130.091 1.00737.35 N ATOM 1590 C8 G 0 74 211.628 9.302 128.990 1.00737.35 C ATOM 1591 N7 G 0 74 210.945 8.702 128.054 1.00737.35 N ATOM 1592 C5 G 0 74 209.656 8.622 128.566 1.00737.35 C ATOM 1593 C6 G 0 74 208.475 8.074 128.001 1.00737.35 C ATOM 1594 O6 G 0 74 208.327 7.526 126.902 1.00737.35 O ATOM 1595 N1 G 0 74 207.388 8.207 128.863 1.00737.35 N ATOM 1596 C2 G 0 74 207.429 8.792 130.103 1.00737.35 C ATOM 1597 N2 G 0 74 206.274 8.823 130.780 1.00737.35 N ATOM 1598 N3 G 0 74 208.523 9.307 130.640 1.00737.35 N ATOM 1599 C4 G 0 74 209.593 9.189 129.821 1.00737.35 C ATOM 1600 P C 0 75 214.746 7.745 133.449 1.00737.35 P ATOM 1601 O1P C 0 75 215.742 7.798 134.553 1.00737.35 O ATOM 1602 O2P C 0 75 215.135 7.157 132.141 1.00737.35 O ATOM 1603 O5* C 0 75 213.451 6.978 133.973 1.00737.35 O ATOM 1604 C5* C 0 75 213.022 7.099 135.330 1.00737.35 C ATOM 1605 C4* C 0 75 212.190 5.902 135.726 1.00737.35 C ATOM 1606 O4* C 0 75 210.922 5.931 135.022 1.00737.35 O ATOM 1607 C3* C 0 75 212.792 4.548 135.377 1.00737.35 C ATOM 1608 O3* C 0 75 213.714 4.128 136.376 1.00737.35 O ATOM 1609 C2* C 0 75 211.561 3.653 135.307 1.00737.35 C ATOM 1610 O2* C 0 75 211.121 3.215 136.576 1.00737.35 O ATOM 1611 C1* C 0 75 210.524 4.607 134.702 1.00737.35 C ATOM 1612 N1 C 0 75 210.377 4.495 133.235 1.00737.35 N ATOM 1613 C2 C 0 75 209.688 3.391 132.698 1.00737.35 C ATOM 1614 O2 C 0 75 209.238 2.522 133.468 1.00737.35 O ATOM 1615 N3 C 0 75 209.535 3.300 131.359 1.00737.35 N ATOM 1616 C4 C 0 75 210.040 4.241 130.559 1.00737.35 C ATOM 1617 N4 C 0 75 209.859 4.104 129.242 1.00737.35 N ATOM 1618 C5 C 0 75 210.754 5.361 131.073 1.00737.35 C ATOM 1619 C6 C 0 75 210.897 5.449 132.400 1.00737.35 C ATOM 1620 P C 0 76 215.067 3.375 135.945 1.00737.35 P ATOM 1621 O1P C 0 76 215.895 3.225 137.170 1.00737.35 O ATOM 1622 O2P C 0 76 215.634 4.065 134.758 1.00737.35 O ATOM 1623 O5* C 0 76 214.572 1.931 135.490 1.00737.35 O ATOM 1624 C5* C 0 76 214.236 0.932 136.451 1.00737.35 C ATOM 1625 C4* C 0 76 213.934 -0.381 135.766 1.00737.35 C ATOM 1626 O4* C 0 76 212.713 -0.261 134.994 1.00737.35 O ATOM 1627 C3* C 0 76 214.969 -0.856 134.758 1.00737.35 C ATOM 1628 O3* C 0 76 216.048 -1.524 135.401 1.00737.35 O ATOM 1629 C2* C 0 76 214.151 -1.797 133.880 1.00737.35 C ATOM 1630 O2* C 0 76 213.987 -3.083 134.446 1.00737.35 O ATOM 1631 C1* C 0 76 212.802 -1.074 133.832 1.00737.35 C ATOM 1632 N1 C 0 76 212.628 -0.223 132.636 1.00737.35 N ATOM 1633 C2 C 0 76 212.190 -0.817 131.439 1.00737.35 C ATOM 1634 O2 C 0 76 211.961 -2.040 131.416 1.00737.35 O ATOM 1635 N3 C 0 76 212.025 -0.044 130.342 1.00737.35 N ATOM 1636 C4 C 0 76 212.282 1.265 130.401 1.00737.35 C ATOM 1637 N4 C 0 76 212.103 1.986 129.291 1.00737.35 N ATOM 1638 C5 C 0 76 212.729 1.894 131.600 1.00737.35 C ATOM 1639 C6 C 0 76 212.887 1.120 132.682 1.00737.35 C ATOM 1640 P C 0 77 217.487 -1.580 134.684 1.00737.35 P ATOM 1641 O1P C 0 77 218.433 -2.207 135.644 1.00737.35 O ATOM 1642 O2P C 0 77 217.793 -0.238 134.129 1.00737.35 O ATOM 1643 O5* C 0 77 217.266 -2.586 133.467 1.00737.35 O ATOM 1644 C5* C 0 77 217.097 -3.984 133.694 1.00737.35 C ATOM 1645 C4* C 0 77 216.984 -4.723 132.381 1.00737.35 C ATOM 1646 O4* C 0 77 215.747 -4.360 131.717 1.00737.35 O ATOM 1647 C3* C 0 77 218.062 -4.419 131.353 1.00737.35 C ATOM 1648 O3* C 0 77 219.236 -5.185 131.609 1.00737.35 O ATOM 1649 C2* C 0 77 217.383 -4.818 130.047 1.00737.35 C ATOM 1650 O2* C 0 77 217.433 -6.210 129.797 1.00737.35 O ATOM 1651 C1* C 0 77 215.934 -4.392 130.309 1.00737.35 C ATOM 1652 N1 C 0 77 215.583 -3.070 129.749 1.00737.35 N ATOM 1653 C2 C 0 77 215.132 -2.994 128.419 1.00737.35 C ATOM 1654 O2 C 0 77 215.045 -4.036 127.747 1.00737.35 O ATOM 1655 N3 C 0 77 214.804 -1.789 127.900 1.00737.35 N ATOM 1656 C4 C 0 77 214.912 -0.689 128.647 1.00737.35 C ATOM 1657 N4 C 0 77 214.574 0.478 128.093 1.00737.35 N ATOM 1658 C5 C 0 77 215.368 -0.734 129.997 1.00737.35 C ATOM 1659 C6 C 0 77 215.689 -1.932 130.502 1.00737.35 C ATOM 1660 P C 0 78 220.680 -4.580 131.240 1.00737.35 P ATOM 1661 O1P C 0 78 221.690 -5.384 131.977 1.00737.35 O ATOM 1662 O2P C 0 78 220.644 -3.107 131.422 1.00737.35 O ATOM 1663 O5* C 0 78 220.839 -4.888 129.685 1.00737.35 O ATOM 1664 C5* C 0 78 220.980 -6.226 129.215 1.00737.35 C ATOM 1665 C4* C 0 78 220.704 -6.293 127.729 1.00737.35 C ATOM 1666 O4* C 0 78 219.334 -5.885 127.478 1.00737.35 O ATOM 1667 C3* C 0 78 221.534 -5.366 126.854 1.00737.35 C ATOM 1668 O3* C 0 78 222.804 -5.932 126.554 1.00737.35 O ATOM 1669 C2* C 0 78 220.657 -5.231 125.615 1.00737.35 C ATOM 1670 O2* C 0 78 220.763 -6.331 124.734 1.00737.35 O ATOM 1671 C1* C 0 78 219.260 -5.194 126.240 1.00737.35 C ATOM 1672 N1 C 0 78 218.775 -3.822 126.488 1.00737.35 N ATOM 1673 C2 C 0 78 217.968 -3.202 125.520 1.00737.35 C ATOM 1674 O2 C 0 78 217.665 -3.831 124.492 1.00737.35 O ATOM 1675 N3 C 0 78 217.537 -1.937 125.731 1.00737.35 N ATOM 1676 C4 C 0 78 217.880 -1.294 126.850 1.00737.35 C ATOM 1677 N4 C 0 78 217.440 -0.042 127.009 1.00737.35 N ATOM 1678 C5 C 0 78 218.690 -1.901 127.852 1.00737.35 C ATOM 1679 C6 C 0 78 219.111 -3.153 127.633 1.00737.35 C ATOM 1680 P G 0 79 224.045 -4.966 126.206 1.00737.35 P ATOM 1681 O1P G 0 79 225.245 -5.829 126.062 1.00737.35 O ATOM 1682 O2P G 0 79 224.059 -3.846 127.181 1.00737.35 O ATOM 1683 O5* G 0 79 223.677 -4.374 124.773 1.00737.35 O ATOM 1684 C5* G 0 79 223.673 -5.210 123.618 1.00737.35 C ATOM 1685 C4* G 0 79 223.562 -4.376 122.360 1.00737.35 C ATOM 1686 O4* G 0 79 222.262 -3.734 122.307 1.00737.35 O ATOM 1687 C3* G 0 79 224.547 -3.226 122.224 1.00737.35 C ATOM 1688 O3* G 0 79 225.807 -3.680 121.741 1.00737.35 O ATOM 1689 C2* G 0 79 223.841 -2.320 121.221 1.00737.35 C ATOM 1690 O2* G 0 79 224.014 -2.735 119.880 1.00737.35 O ATOM 1691 C1* G 0 79 222.376 -2.491 121.630 1.00737.35 C ATOM 1692 N9 G 0 79 221.882 -1.428 122.503 1.00737.35 N ATOM 1693 C8 G 0 79 221.690 -1.486 123.864 1.00737.35 C ATOM 1694 N7 G 0 79 221.234 -0.369 124.365 1.00737.35 N ATOM 1695 C5 G 0 79 221.122 0.478 123.272 1.00737.35 C ATOM 1696 C6 G 0 79 220.681 1.826 123.192 1.00737.35 C ATOM 1697 O6 G 0 79 220.287 2.564 124.104 1.00737.35 O ATOM 1698 N1 G 0 79 220.726 2.304 121.887 1.00737.35 N ATOM 1699 C2 G 0 79 221.142 1.584 120.796 1.00737.35 C ATOM 1700 N2 G 0 79 221.115 2.225 119.617 1.00737.35 N ATOM 1701 N3 G 0 79 221.553 0.328 120.855 1.00737.35 N ATOM 1702 C4 G 0 79 221.517 -0.160 122.113 1.00737.35 C ATOM 1703 P A 0 80 227.133 -2.817 122.033 1.00737.35 P ATOM 1704 O1P A 0 80 228.289 -3.600 121.529 1.00737.35 O ATOM 1705 O2P A 0 80 227.109 -2.376 123.451 1.00737.35 O ATOM 1706 O5* A 0 80 226.962 -1.530 121.109 1.00737.35 O ATOM 1707 C5* A 0 80 226.914 -1.651 119.689 1.00737.35 C ATOM 1708 C4* A 0 80 226.584 -0.321 119.053 1.00737.35 C ATOM 1709 O4* A 0 80 225.263 0.106 119.483 1.00737.35 O ATOM 1710 C3* A 0 80 227.486 0.844 119.428 1.00737.35 C ATOM 1711 O3* A 0 80 228.669 0.850 118.632 1.00737.35 O ATOM 1712 C2* A 0 80 226.595 2.046 119.129 1.00737.35 C ATOM 1713 O2* A 0 80 226.574 2.393 117.759 1.00737.35 O ATOM 1714 C1* A 0 80 225.220 1.523 119.550 1.00737.35 C ATOM 1715 N9 A 0 80 224.830 1.919 120.906 1.00737.35 N ATOM 1716 C8 A 0 80 224.987 1.215 122.076 1.00737.35 C ATOM 1717 N7 A 0 80 224.536 1.843 123.135 1.00737.35 N ATOM 1718 C5 A 0 80 224.051 3.043 122.632 1.00737.35 C ATOM 1719 C6 A 0 80 223.443 4.151 123.247 1.00737.35 C ATOM 1720 N6 A 0 80 223.210 4.233 124.560 1.00737.35 N ATOM 1721 N1 A 0 80 223.079 5.187 122.461 1.00737.35 N ATOM 1722 C2 A 0 80 223.313 5.103 121.144 1.00737.35 C ATOM 1723 N3 A 0 80 223.878 4.117 120.448 1.00737.35 N ATOM 1724 C4 A 0 80 224.228 3.104 121.261 1.00737.35 C ATOM 1725 P C 0 81 230.031 1.468 119.227 1.00737.35 P ATOM 1726 O1P C 0 81 231.095 1.241 118.217 1.00737.35 O ATOM 1727 O2P C 0 81 230.214 0.963 120.611 1.00737.35 O ATOM 1728 O5* C 0 81 229.743 3.036 119.303 1.00737.35 O ATOM 1729 C5* C 0 81 229.476 3.790 118.122 1.00737.35 C ATOM 1730 C4* C 0 81 228.798 5.095 118.471 1.00737.35 C ATOM 1731 O4* C 0 81 227.556 4.811 119.165 1.00737.35 O ATOM 1732 C3* C 0 81 229.561 6.012 119.418 1.00737.35 C ATOM 1733 O3* C 0 81 230.486 6.826 118.702 1.00737.35 O ATOM 1734 C2* C 0 81 228.439 6.837 120.036 1.00737.35 C ATOM 1735 O2* C 0 81 228.003 7.894 119.200 1.00737.35 O ATOM 1736 C1* C 0 81 227.329 5.794 120.166 1.00737.35 C ATOM 1737 N1 C 0 81 227.297 5.129 121.486 1.00737.35 N ATOM 1738 C2 C 0 81 226.563 5.725 122.527 1.00737.35 C ATOM 1739 O2 C 0 81 225.958 6.787 122.313 1.00737.35 O ATOM 1740 N3 C 0 81 226.533 5.123 123.739 1.00737.35 N ATOM 1741 C4 C 0 81 227.192 3.979 123.935 1.00737.35 C ATOM 1742 N4 C 0 81 227.133 3.424 125.148 1.00737.35 N ATOM 1743 C5 C 0 81 227.944 3.354 122.899 1.00737.35 C ATOM 1744 C6 C 0 81 227.969 3.957 121.703 1.00737.35 C ATOM 1745 P G 0 82 231.835 7.331 119.422 1.00737.35 P ATOM 1746 O1P G 0 82 232.602 8.111 118.419 1.00737.35 O ATOM 1747 O2P G 0 82 232.474 6.171 120.094 1.00737.35 O ATOM 1748 O5* G 0 82 231.326 8.339 120.548 1.00737.35 O ATOM 1749 C5* G 0 82 230.457 9.425 120.228 1.00737.35 C ATOM 1750 C4* G 0 82 229.762 9.927 121.472 1.00737.35 C ATOM 1751 O4* G 0 82 229.072 8.818 122.107 1.00737.35 O ATOM 1752 C3* G 0 82 230.672 10.481 122.560 1.00737.35 C ATOM 1753 O3* G 0 82 230.960 11.857 122.317 1.00737.35 O ATOM 1754 C2* G 0 82 229.829 10.284 123.816 1.00737.35 C ATOM 1755 O2* G 0 82 228.845 11.283 123.986 1.00737.35 O ATOM 1756 C1* G 0 82 229.155 8.943 123.517 1.00737.35 C ATOM 1757 N9 G 0 82 229.883 7.786 124.037 1.00737.35 N ATOM 1758 C8 G 0 82 231.081 7.285 123.582 1.00737.35 C ATOM 1759 N7 G 0 82 231.483 6.238 124.247 1.00737.35 N ATOM 1760 C5 G 0 82 230.497 6.034 125.200 1.00737.35 C ATOM 1761 C6 G 0 82 230.386 5.043 126.210 1.00737.35 C ATOM 1762 O6 G 0 82 231.165 4.119 126.472 1.00737.35 O ATOM 1763 N1 G 0 82 229.224 5.202 126.957 1.00737.35 N ATOM 1764 C2 G 0 82 228.287 6.186 126.760 1.00737.35 C ATOM 1765 N2 G 0 82 227.229 6.171 127.586 1.00737.35 N ATOM 1766 N3 G 0 82 228.377 7.118 125.823 1.00737.35 N ATOM 1767 C4 G 0 82 229.501 6.982 125.085 1.00737.35 C ATOM 1768 P A 0 83 232.184 12.568 123.080 1.00737.35 P ATOM 1769 O1P A 0 83 232.419 13.874 122.411 1.00737.35 O ATOM 1770 O2P A 0 83 233.301 11.596 123.203 1.00737.35 O ATOM 1771 O5* A 0 83 231.610 12.854 124.540 1.00737.35 O ATOM 1772 C5* A 0 83 230.505 13.738 124.735 1.00737.35 C ATOM 1773 C4* A 0 83 230.067 13.719 126.181 1.00737.35 C ATOM 1774 O4* A 0 83 229.616 12.386 126.522 1.00737.35 O ATOM 1775 C3* A 0 83 231.153 14.032 127.200 1.00737.35 C ATOM 1776 O3* A 0 83 231.258 15.440 127.423 1.00737.35 O ATOM 1777 C2* A 0 83 230.632 13.338 128.456 1.00737.35 C ATOM 1778 O2* A 0 83 229.698 14.117 129.175 1.00737.35 O ATOM 1779 C1* A 0 83 229.930 12.107 127.874 1.00737.35 C ATOM 1780 N9 A 0 83 230.719 10.876 127.925 1.00737.35 N ATOM 1781 C8 A 0 83 231.761 10.499 127.114 1.00737.35 C ATOM 1782 N7 A 0 83 232.264 9.324 127.410 1.00737.35 N ATOM 1783 C5 A 0 83 231.503 8.899 128.489 1.00737.35 C ATOM 1784 C6 A 0 83 231.533 7.729 129.268 1.00737.35 C ATOM 1785 N6 A 0 83 232.396 6.727 129.064 1.00737.35 N ATOM 1786 N1 A 0 83 230.638 7.617 130.272 1.00737.35 N ATOM 1787 C2 A 0 83 229.774 8.620 130.473 1.00737.35 C ATOM 1788 N3 A 0 83 229.644 9.767 129.810 1.00737.35 N ATOM 1789 C4 A 0 83 230.550 9.846 128.820 1.00737.35 C ATOM 1790 P G 0 84 232.039 16.370 126.364 1.00737.35 P ATOM 1791 O1P G 0 84 233.068 15.537 125.688 1.00737.35 O ATOM 1792 O2P G 0 84 232.447 17.615 127.061 1.00737.35 O ATOM 1793 O5* G 0 84 230.920 16.736 125.287 1.00737.35 O ATOM 1794 C5* G 0 84 229.885 17.677 125.584 1.00737.35 C ATOM 1795 C4* G 0 84 228.600 16.955 125.911 1.00737.35 C ATOM 1796 O4* G 0 84 228.821 16.135 127.092 1.00737.35 O ATOM 1797 C3* G 0 84 227.412 17.831 126.282 1.00737.35 C ATOM 1798 O3* G 0 84 226.707 18.262 125.121 1.00737.35 O ATOM 1799 C2* G 0 84 226.574 16.883 127.132 1.00737.35 C ATOM 1800 O2* G 0 84 225.826 15.965 126.358 1.00737.35 O ATOM 1801 C1* G 0 84 227.657 16.129 127.901 1.00737.35 C ATOM 1802 N9 G 0 84 227.990 16.729 129.190 1.00737.35 N ATOM 1803 C8 G 0 84 228.872 17.759 129.425 1.00737.35 C ATOM 1804 N7 G 0 84 228.961 18.078 130.688 1.00737.35 N ATOM 1805 C5 G 0 84 228.088 17.210 131.326 1.00737.35 C ATOM 1806 C6 G 0 84 227.762 17.080 132.700 1.00737.35 C ATOM 1807 O6 G 0 84 228.195 17.729 133.660 1.00737.35 O ATOM 1808 N1 G 0 84 226.827 16.072 132.911 1.00737.35 N ATOM 1809 C2 G 0 84 226.275 15.286 131.927 1.00737.35 C ATOM 1810 N2 G 0 84 225.387 14.366 132.333 1.00737.35 N ATOM 1811 N3 G 0 84 226.571 15.396 130.643 1.00737.35 N ATOM 1812 C4 G 0 84 227.478 16.370 130.416 1.00737.35 C ATOM 1813 P C 0 85 225.688 19.506 125.215 1.00737.35 P ATOM 1814 O1P C 0 85 225.241 19.812 123.833 1.00737.35 O ATOM 1815 O2P C 0 85 226.320 20.575 126.033 1.00737.35 O ATOM 1816 O5* C 0 85 224.440 18.932 126.026 1.00737.35 O ATOM 1817 C5* C 0 85 223.683 17.833 125.522 1.00737.35 C ATOM 1818 C4* C 0 85 222.826 17.236 126.617 1.00737.35 C ATOM 1819 O4* C 0 85 223.676 16.831 127.722 1.00737.35 O ATOM 1820 C3* C 0 85 221.804 18.166 127.252 1.00737.35 C ATOM 1821 O3* C 0 85 220.600 18.194 126.489 1.00737.35 O ATOM 1822 C2* C 0 85 221.589 17.521 128.618 1.00737.35 C ATOM 1823 O2* C 0 85 220.712 16.412 128.576 1.00737.35 O ATOM 1824 C1* C 0 85 223.001 17.042 128.953 1.00737.35 C ATOM 1825 N1 C 0 85 223.776 18.006 129.765 1.00737.35 N ATOM 1826 C2 C 0 85 223.613 18.004 131.162 1.00737.35 C ATOM 1827 O2 C 0 85 222.819 17.198 131.680 1.00737.35 O ATOM 1828 N3 C 0 85 224.319 18.883 131.908 1.00737.35 N ATOM 1829 C4 C 0 85 225.160 19.737 131.320 1.00737.35 C ATOM 1830 N4 C 0 85 225.836 20.584 132.099 1.00737.35 N ATOM 1831 C5 C 0 85 225.344 19.762 129.907 1.00737.35 C ATOM 1832 C6 C 0 85 224.640 18.888 129.176 1.00737.35 C ATOM 1833 P U 0 86 219.608 19.456 126.604 1.00737.35 P ATOM 1834 O1P U 0 86 218.453 19.192 125.706 1.00737.35 O ATOM 1835 O2P U 0 86 220.403 20.699 126.426 1.00737.35 O ATOM 1836 O5* U 0 86 219.088 19.406 128.110 1.00737.35 O ATOM 1837 C5* U 0 86 218.372 18.273 128.605 1.00737.35 C ATOM 1838 C4* U 0 86 218.211 18.371 130.105 1.00737.35 C ATOM 1839 O4* U 0 86 219.522 18.397 130.730 1.00737.35 O ATOM 1840 C3* U 0 86 217.530 19.635 130.608 1.00737.35 C ATOM 1841 O3* U 0 86 216.114 19.495 130.573 1.00737.35 O ATOM 1842 C2* U 0 86 218.058 19.741 132.032 1.00737.35 C ATOM 1843 O2* U 0 86 217.376 18.900 132.943 1.00737.35 O ATOM 1844 C1* U 0 86 219.498 19.257 131.858 1.00737.35 C ATOM 1845 N1 U 0 86 220.464 20.351 131.641 1.00737.35 N ATOM 1846 C2 U 0 86 220.993 20.981 132.759 1.00737.35 C ATOM 1847 O2 U 0 86 220.695 20.673 133.904 1.00737.35 O ATOM 1848 N3 U 0 86 221.883 21.991 132.488 1.00737.35 N ATOM 1849 C4 U 0 86 222.290 22.429 131.244 1.00737.35 C ATOM 1850 O4 U 0 86 223.101 23.353 131.164 1.00737.35 O ATOM 1851 C5 U 0 86 221.705 21.731 130.143 1.00737.35 C ATOM 1852 C6 U 0 86 220.835 20.742 130.371 1.00737.35 C ATOM 1853 P G 0 87 215.224 20.612 129.836 1.00737.35 P ATOM 1854 O1P G 0 87 215.570 21.926 130.438 1.00737.35 O ATOM 1855 O2P G 0 87 213.812 20.151 129.842 1.00737.35 O ATOM 1856 O5* G 0 87 215.750 20.589 128.331 1.00737.35 O ATOM 1857 C5* G 0 87 215.628 21.736 127.496 1.00737.35 C ATOM 1858 C4* G 0 87 215.066 21.349 126.149 1.00737.35 C ATOM 1859 O4* G 0 87 213.832 20.608 126.342 1.00737.35 O ATOM 1860 C3* G 0 87 214.688 22.526 125.262 1.00737.35 C ATOM 1861 O3* G 0 87 215.809 22.958 124.497 1.00737.35 O ATOM 1862 C2* G 0 87 213.580 21.941 124.396 1.00737.35 C ATOM 1863 O2* G 0 87 214.067 21.174 123.312 1.00737.35 O ATOM 1864 C1* G 0 87 212.864 21.030 125.395 1.00737.35 C ATOM 1865 N9 G 0 87 211.779 21.685 126.125 1.00737.35 N ATOM 1866 C8 G 0 87 211.849 22.237 127.384 1.00737.35 C ATOM 1867 N7 G 0 87 210.715 22.737 127.787 1.00737.35 N ATOM 1868 C5 G 0 87 209.840 22.506 126.734 1.00737.35 C ATOM 1869 C6 G 0 87 208.467 22.822 126.600 1.00737.35 C ATOM 1870 O6 G 0 87 207.722 23.386 127.414 1.00737.35 O ATOM 1871 N1 G 0 87 207.969 22.417 125.367 1.00737.35 N ATOM 1872 C2 G 0 87 208.695 21.783 124.388 1.00737.35 C ATOM 1873 N2 G 0 87 208.030 21.479 123.261 1.00737.35 N ATOM 1874 N3 G 0 87 209.977 21.472 124.506 1.00737.35 N ATOM 1875 C4 G 0 87 210.483 21.862 125.696 1.00737.35 C ATOM 1876 P G 0 88 216.135 24.527 124.374 1.00737.35 P ATOM 1877 O1P G 0 88 217.460 24.648 123.714 1.00737.35 O ATOM 1878 O2P G 0 88 215.919 25.158 125.700 1.00737.35 O ATOM 1879 O5* G 0 88 215.025 25.076 123.371 1.00737.35 O ATOM 1880 C5* G 0 88 215.082 24.774 121.979 1.00737.35 C ATOM 1881 C4* G 0 88 213.793 25.175 121.296 1.00737.35 C ATOM 1882 O4* G 0 88 212.694 24.408 121.858 1.00737.35 O ATOM 1883 C3* G 0 88 213.363 26.623 121.468 1.00737.35 C ATOM 1884 O3* G 0 88 214.013 27.472 120.522 1.00737.35 O ATOM 1885 C2* G 0 88 211.861 26.539 121.216 1.00737.35 C ATOM 1886 O2* G 0 88 211.531 26.497 119.840 1.00737.35 O ATOM 1887 C1* G 0 88 211.517 25.202 121.874 1.00737.35 C ATOM 1888 N9 G 0 88 211.068 25.344 123.256 1.00737.35 N ATOM 1889 C8 G 0 88 211.813 25.166 124.400 1.00737.35 C ATOM 1890 N7 G 0 88 211.132 25.376 125.493 1.00737.35 N ATOM 1891 C5 G 0 88 209.861 25.711 125.050 1.00737.35 C ATOM 1892 C6 G 0 88 208.690 26.049 125.778 1.00737.35 C ATOM 1893 O6 G 0 88 208.539 26.119 127.004 1.00737.35 O ATOM 1894 N1 G 0 88 207.622 26.323 124.930 1.00737.35 N ATOM 1895 C2 G 0 88 207.670 26.278 123.559 1.00737.35 C ATOM 1896 N2 G 0 88 206.529 26.575 122.918 1.00737.35 N ATOM 1897 N3 G 0 88 208.751 25.966 122.867 1.00737.35 N ATOM 1898 C4 G 0 88 209.804 25.697 123.672 1.00737.35 C ATOM 1899 P A 0 89 213.975 29.071 120.717 1.00737.35 P ATOM 1900 O1P A 0 89 212.608 29.449 121.160 1.00737.35 O ATOM 1901 O2P A 0 89 214.539 29.686 119.488 1.00737.35 O ATOM 1902 O5* A 0 89 214.984 29.363 121.917 1.00737.35 O ATOM 1903 C5* A 0 89 214.737 28.868 123.232 1.00737.35 C ATOM 1904 C4* A 0 89 214.420 30.010 124.169 1.00737.35 C ATOM 1905 O4* A 0 89 213.210 30.673 123.717 1.00737.35 O ATOM 1906 C3* A 0 89 214.115 29.605 125.604 1.00737.35 C ATOM 1907 O3* A 0 89 215.320 29.492 126.353 1.00737.35 O ATOM 1908 C2* A 0 89 213.249 30.761 126.092 1.00737.35 C ATOM 1909 O2* A 0 89 213.997 31.894 126.483 1.00737.35 O ATOM 1910 C1* A 0 89 212.441 31.083 124.835 1.00737.35 C ATOM 1911 N9 A 0 89 211.146 30.399 124.785 1.00737.35 N ATOM 1912 C8 A 0 89 210.827 29.239 124.115 1.00737.35 C ATOM 1913 N7 A 0 89 209.577 28.871 124.263 1.00737.35 N ATOM 1914 C5 A 0 89 209.036 29.849 125.084 1.00737.35 C ATOM 1915 C6 A 0 89 207.747 30.030 125.616 1.00737.35 C ATOM 1916 N6 A 0 89 206.727 29.199 125.385 1.00737.35 N ATOM 1917 N1 A 0 89 207.537 31.108 126.401 1.00737.35 N ATOM 1918 C2 A 0 89 208.559 31.942 126.631 1.00737.35 C ATOM 1919 N3 A 0 89 209.815 31.878 126.190 1.00737.35 N ATOM 1920 C4 A 0 89 209.989 30.794 125.413 1.00737.35 C ATOM 1921 P G 0 90 215.410 28.452 127.577 1.00737.35 P ATOM 1922 O1P G 0 90 214.844 27.159 127.115 1.00737.35 O ATOM 1923 O2P G 0 90 214.846 29.107 128.786 1.00737.35 O ATOM 1924 O5* G 0 90 216.977 28.257 127.791 1.00737.35 O ATOM 1925 C5* G 0 90 217.791 29.327 128.268 1.00737.35 C ATOM 1926 C4* G 0 90 218.704 29.820 127.169 1.00737.35 C ATOM 1927 O4* G 0 90 217.899 30.244 126.038 1.00737.35 O ATOM 1928 C3* G 0 90 219.531 31.046 127.523 1.00737.35 C ATOM 1929 O3* G 0 90 220.743 30.675 128.175 1.00737.35 O ATOM 1930 C2* G 0 90 219.804 31.662 126.154 1.00737.35 C ATOM 1931 O2* G 0 90 220.872 31.039 125.467 1.00737.35 O ATOM 1932 C1* G 0 90 218.486 31.382 125.427 1.00737.35 C ATOM 1933 N9 G 0 90 217.532 32.484 125.491 1.00737.35 N ATOM 1934 C8 G 0 90 216.869 32.949 126.605 1.00737.35 C ATOM 1935 N7 G 0 90 216.079 33.954 126.348 1.00737.35 N ATOM 1936 C5 G 0 90 216.223 34.168 124.984 1.00737.35 C ATOM 1937 C6 G 0 90 215.612 35.126 124.135 1.00737.35 C ATOM 1938 O6 G 0 90 214.794 36.007 124.427 1.00737.35 O ATOM 1939 N1 G 0 90 216.042 34.991 122.819 1.00737.35 N ATOM 1940 C2 G 0 90 216.945 34.055 122.375 1.00737.35 C ATOM 1941 N2 G 0 90 217.231 34.086 121.066 1.00737.35 N ATOM 1942 N3 G 0 90 217.520 33.156 123.156 1.00737.35 N ATOM 1943 C4 G 0 90 217.117 33.271 124.440 1.00737.35 C ATOM 1944 P A 0 91 220.879 30.832 129.770 1.00737.35 P ATOM 1945 O1P A 0 91 222.226 31.396 130.044 1.00737.35 O ATOM 1946 O2P A 0 91 220.486 29.542 130.391 1.00737.35 O ATOM 1947 O5* A 0 91 219.784 31.923 130.167 1.00737.35 O ATOM 1948 C5* A 0 91 220.030 33.319 129.998 1.00737.35 C ATOM 1949 C4* A 0 91 219.199 34.116 130.978 1.00737.35 C ATOM 1950 O4* A 0 91 217.792 33.904 130.695 1.00737.35 O ATOM 1951 C3* A 0 91 219.367 33.716 132.437 1.00737.35 C ATOM 1952 O3* A 0 91 220.477 34.393 133.020 1.00737.35 O ATOM 1953 C2* A 0 91 218.039 34.146 133.047 1.00737.35 C ATOM 1954 O2* A 0 91 217.983 35.528 133.341 1.00737.35 O ATOM 1955 C1* A 0 91 217.065 33.819 131.912 1.00737.35 C ATOM 1956 N9 A 0 91 216.478 32.480 132.002 1.00737.35 N ATOM 1957 C8 A 0 91 216.902 31.333 131.375 1.00737.35 C ATOM 1958 N7 A 0 91 216.169 30.281 131.644 1.00737.35 N ATOM 1959 C5 A 0 91 215.196 30.764 132.507 1.00737.35 C ATOM 1960 C6 A 0 91 214.114 30.141 133.151 1.00737.35 C ATOM 1961 N6 A 0 91 213.820 28.846 133.015 1.00737.35 N ATOM 1962 N1 A 0 91 213.333 30.902 133.950 1.00737.35 N ATOM 1963 C2 A 0 91 213.629 32.202 134.080 1.00737.35 C ATOM 1964 N3 A 0 91 214.616 32.902 133.525 1.00737.35 N ATOM 1965 C4 A 0 91 215.374 32.116 132.739 1.00737.35 C ATOM 1966 P U 0 92 221.506 33.581 133.951 1.00737.35 P ATOM 1967 O1P U 0 92 222.717 34.430 134.104 1.00737.35 O ATOM 1968 O2P U 0 92 221.648 32.201 133.417 1.00737.35 O ATOM 1969 O5* U 0 92 220.770 33.493 135.361 1.00737.35 O ATOM 1970 C5* U 0 92 220.818 34.578 136.285 1.00737.35 C ATOM 1971 C4* U 0 92 220.119 34.205 137.575 1.00737.35 C ATOM 1972 O4* U 0 92 218.708 33.995 137.311 1.00737.35 O ATOM 1973 C3* U 0 92 220.583 32.909 138.221 1.00737.35 C ATOM 1974 O3* U 0 92 221.732 33.127 139.036 1.00737.35 O ATOM 1975 C2* U 0 92 219.364 32.503 139.041 1.00737.35 C ATOM 1976 O2* U 0 92 219.269 33.189 140.274 1.00737.35 O ATOM 1977 C1* U 0 92 218.221 32.934 138.118 1.00737.35 C ATOM 1978 N1 U 0 92 217.739 31.858 137.233 1.00737.35 N ATOM 1979 C2 U 0 92 216.723 31.039 137.704 1.00737.35 C ATOM 1980 O2 U 0 92 216.214 31.170 138.808 1.00737.35 O ATOM 1981 N3 U 0 92 216.324 30.057 136.831 1.00737.35 N ATOM 1982 C4 U 0 92 216.820 29.813 135.568 1.00737.35 C ATOM 1983 O4 U 0 92 216.354 28.887 134.901 1.00737.35 O ATOM 1984 C5 U 0 92 217.863 30.697 135.156 1.00737.35 C ATOM 1985 C6 U 0 92 218.278 31.665 135.978 1.00737.35 C ATOM 1986 P A 0 93 222.795 31.939 139.250 1.00737.35 P ATOM 1987 O1P A 0 93 223.952 32.512 139.985 1.00737.35 O ATOM 1988 O2P A 0 93 223.018 31.260 137.948 1.00737.35 O ATOM 1989 O5* A 0 93 222.046 30.919 140.218 1.00737.35 O ATOM 1990 C5* A 0 93 221.698 31.294 141.551 1.00737.35 C ATOM 1991 C4* A 0 93 220.847 30.225 142.195 1.00737.35 C ATOM 1992 O4* A 0 93 219.612 30.080 141.445 1.00737.35 O ATOM 1993 C3* A 0 93 221.438 28.823 142.220 1.00737.35 C ATOM 1994 O3* A 0 93 222.314 28.651 143.331 1.00737.35 O ATOM 1995 C2* A 0 93 220.193 27.955 142.337 1.00737.35 C ATOM 1996 O2* A 0 93 219.694 27.875 143.657 1.00737.35 O ATOM 1997 C1* A 0 93 219.204 28.720 141.456 1.00737.35 C ATOM 1998 N9 A 0 93 219.166 28.233 140.074 1.00737.35 N ATOM 1999 C8 A 0 93 219.799 28.755 138.971 1.00737.35 C ATOM 2000 N7 A 0 93 219.575 28.087 137.867 1.00737.35 N ATOM 2001 C5 A 0 93 218.735 27.057 138.266 1.00737.35 C ATOM 2002 C6 A 0 93 218.136 25.997 137.560 1.00737.35 C ATOM 2003 N6 A 0 93 218.295 25.793 136.251 1.00737.35 N ATOM 2004 N1 A 0 93 217.355 25.144 138.257 1.00737.35 N ATOM 2005 C2 A 0 93 217.192 25.347 139.570 1.00737.35 C ATOM 2006 N3 A 0 93 217.703 26.303 140.344 1.00737.35 N ATOM 2007 C4 A 0 93 218.474 27.135 139.623 1.00737.35 C ATOM 2008 P C 0 94 223.487 27.549 143.259 1.00737.35 P ATOM 2009 O1P C 0 94 224.262 27.650 144.522 1.00737.35 O ATOM 2010 O2P C 0 94 224.187 27.688 141.956 1.00737.35 O ATOM 2011 O5* C 0 94 222.711 26.157 143.263 1.00737.35 O ATOM 2012 C5* C 0 94 221.902 25.769 144.373 1.00737.35 C ATOM 2013 C4* C 0 94 221.033 24.585 144.006 1.00737.35 C ATOM 2014 O4* C 0 94 220.173 24.951 142.894 1.00737.35 O ATOM 2015 C3* C 0 94 221.767 23.344 143.519 1.00737.35 C ATOM 2016 O3* C 0 94 222.204 22.545 144.616 1.00737.35 O ATOM 2017 C2* C 0 94 220.693 22.640 142.699 1.00737.35 C ATOM 2018 O2* C 0 94 219.779 21.906 143.489 1.00737.35 O ATOM 2019 C1* C 0 94 219.981 23.827 142.047 1.00737.35 C ATOM 2020 N1 C 0 94 220.494 24.151 140.700 1.00737.35 N ATOM 2021 C2 C 0 94 219.997 23.440 139.593 1.00737.35 C ATOM 2022 O2 C 0 94 219.136 22.562 139.775 1.00737.35 O ATOM 2023 N3 C 0 94 220.465 23.728 138.359 1.00737.35 N ATOM 2024 C4 C 0 94 221.391 24.676 138.199 1.00737.35 C ATOM 2025 N4 C 0 94 221.825 24.924 136.962 1.00737.35 N ATOM 2026 C5 C 0 94 221.914 25.414 139.301 1.00737.35 C ATOM 2027 C6 C 0 94 221.444 25.123 140.521 1.00737.35 C ATOM 2028 P G 0 95 223.311 21.401 144.377 1.00737.35 P ATOM 2029 O1P G 0 95 223.484 20.680 145.663 1.00737.35 O ATOM 2030 O2P G 0 95 224.492 22.016 143.718 1.00737.35 O ATOM 2031 O5* G 0 95 222.618 20.408 143.342 1.00737.35 O ATOM 2032 C5* G 0 95 223.276 19.224 142.905 1.00737.35 C ATOM 2033 C4* G 0 95 222.418 18.494 141.896 1.00737.35 C ATOM 2034 O4* G 0 95 222.134 19.379 140.778 1.00737.35 O ATOM 2035 C3* G 0 95 223.058 17.271 141.259 1.00737.35 C ATOM 2036 O3* G 0 95 222.868 16.124 142.083 1.00737.35 O ATOM 2037 C2* G 0 95 222.308 17.161 139.937 1.00737.35 C ATOM 2038 O2* G 0 95 221.047 16.537 140.063 1.00737.35 O ATOM 2039 C1* G 0 95 222.120 18.636 139.570 1.00737.35 C ATOM 2040 N9 G 0 95 223.162 19.165 138.691 1.00737.35 N ATOM 2041 C8 G 0 95 224.283 19.868 139.061 1.00737.35 C ATOM 2042 N7 G 0 95 225.027 20.219 138.048 1.00737.35 N ATOM 2043 C5 G 0 95 224.360 19.718 136.940 1.00737.35 C ATOM 2044 C6 G 0 95 224.687 19.788 135.560 1.00737.35 C ATOM 2045 O6 G 0 95 225.666 20.328 135.026 1.00737.35 O ATOM 2046 N1 G 0 95 223.738 19.141 134.778 1.00737.35 N ATOM 2047 C2 G 0 95 222.617 18.510 135.254 1.00737.35 C ATOM 2048 N2 G 0 95 221.822 17.941 134.333 1.00737.35 N ATOM 2049 N3 G 0 95 222.298 18.439 136.536 1.00737.35 N ATOM 2050 C4 G 0 95 223.207 19.061 137.319 1.00737.35 C ATOM 2051 P C 0 96 223.886 14.883 141.974 1.00737.35 P ATOM 2052 O1P C 0 96 223.551 13.943 143.076 1.00737.35 O ATOM 2053 O2P C 0 96 225.269 15.412 141.856 1.00737.35 O ATOM 2054 O5* C 0 96 223.498 14.188 140.593 1.00737.35 O ATOM 2055 C5* C 0 96 222.228 13.561 140.418 1.00737.35 C ATOM 2056 C4* C 0 96 222.020 13.196 138.966 1.00737.35 C ATOM 2057 O4* C 0 96 221.996 14.406 138.166 1.00737.35 O ATOM 2058 C3* C 0 96 223.119 12.352 138.336 1.00737.35 C ATOM 2059 O3* C 0 96 222.924 10.966 138.596 1.00737.35 O ATOM 2060 C2* C 0 96 222.971 12.681 136.856 1.00737.35 C ATOM 2061 O2* C 0 96 221.928 11.962 136.228 1.00737.35 O ATOM 2062 C1* C 0 96 222.617 14.168 136.914 1.00737.35 C ATOM 2063 N1 C 0 96 223.794 15.054 136.792 1.00737.35 N ATOM 2064 C2 C 0 96 224.218 15.453 135.511 1.00737.35 C ATOM 2065 O2 C 0 96 223.596 15.051 134.514 1.00737.35 O ATOM 2066 N3 C 0 96 225.295 16.264 135.397 1.00737.35 N ATOM 2067 C4 C 0 96 225.942 16.672 136.490 1.00737.35 C ATOM 2068 N4 C 0 96 227.001 17.470 136.327 1.00737.35 N ATOM 2069 C5 C 0 96 225.537 16.284 137.797 1.00737.35 C ATOM 2070 C6 C 0 96 224.469 15.484 137.903 1.00737.35 C ATOM 2071 P U 0 97 224.200 10.014 138.826 1.00737.35 P ATOM 2072 O1P U 0 97 223.716 8.611 138.788 1.00737.35 O ATOM 2073 O2P U 0 97 224.937 10.505 140.019 1.00737.35 O ATOM 2074 O5* U 0 97 225.099 10.260 137.535 1.00737.35 O ATOM 2075 C5* U 0 97 226.481 9.917 137.523 1.00737.35 C ATOM 2076 C4* U 0 97 227.035 10.027 136.122 1.00737.35 C ATOM 2077 O4* U 0 97 226.811 11.371 135.618 1.00737.35 O ATOM 2078 C3* U 0 97 228.537 9.825 135.997 1.00737.35 C ATOM 2079 O3* U 0 97 228.848 8.439 135.911 1.00737.35 O ATOM 2080 C2* U 0 97 228.855 10.565 134.702 1.00737.35 C ATOM 2081 O2* U 0 97 228.566 9.805 133.544 1.00737.35 O ATOM 2082 C1* U 0 97 227.896 11.758 134.790 1.00737.35 C ATOM 2083 N1 U 0 97 228.515 12.970 135.358 1.00737.35 N ATOM 2084 C2 U 0 97 229.167 13.833 134.487 1.00737.35 C ATOM 2085 O2 U 0 97 229.248 13.635 133.285 1.00737.35 O ATOM 2086 N3 U 0 97 229.722 14.941 135.081 1.00737.35 N ATOM 2087 C4 U 0 97 229.695 15.269 136.419 1.00737.35 C ATOM 2088 O4 U 0 97 230.243 16.306 136.799 1.00737.35 O ATOM 2089 C5 U 0 97 229.006 14.332 137.251 1.00737.35 C ATOM 2090 C6 U 0 97 228.454 13.243 136.709 1.00737.35 C ATOM 2091 P U 0 98 230.253 7.896 136.480 1.00737.35 P ATOM 2092 O1P U 0 98 230.049 6.470 136.842 1.00737.35 O ATOM 2093 O2P U 0 98 230.765 8.845 137.501 1.00737.35 O ATOM 2094 O5* U 0 98 231.226 7.953 135.219 1.00737.35 O ATOM 2095 C5* U 0 98 232.411 7.164 135.175 1.00737.35 C ATOM 2096 C4* U 0 98 232.668 6.684 133.767 1.00737.35 C ATOM 2097 O4* U 0 98 232.912 7.825 132.905 1.00737.35 O ATOM 2098 C3* U 0 98 233.906 5.817 133.597 1.00737.35 C ATOM 2099 O3* U 0 98 233.594 4.462 133.900 1.00737.35 O ATOM 2100 C2* U 0 98 234.236 6.008 132.122 1.00737.35 C ATOM 2101 O2* U 0 98 233.451 5.197 131.269 1.00737.35 O ATOM 2102 C1* U 0 98 233.869 7.480 131.915 1.00737.35 C ATOM 2103 N1 U 0 98 235.016 8.398 132.024 1.00737.35 N ATOM 2104 C2 U 0 98 235.751 8.656 130.875 1.00737.35 C ATOM 2105 O2 U 0 98 235.492 8.158 129.790 1.00737.35 O ATOM 2106 N3 U 0 98 236.808 9.518 131.044 1.00737.35 N ATOM 2107 C4 U 0 98 237.198 10.137 132.215 1.00737.35 C ATOM 2108 O4 U 0 98 238.174 10.890 132.204 1.00737.35 O ATOM 2109 C5 U 0 98 236.391 9.822 133.353 1.00737.35 C ATOM 2110 C6 U 0 98 235.356 8.986 133.224 1.00737.35 C ATOM 2111 P U 0 99 234.431 3.680 135.030 1.00737.35 P ATOM 2112 O1P U 0 99 234.674 4.622 136.153 1.00737.35 O ATOM 2113 O2P U 0 99 235.582 3.009 134.374 1.00737.35 O ATOM 2114 O5* U 0 99 233.423 2.556 135.540 1.00737.35 O ATOM 2115 C5* U 0 99 232.117 2.897 135.999 1.00737.35 C ATOM 2116 C4* U 0 99 231.508 1.739 136.756 1.00737.35 C ATOM 2117 O4* U 0 99 232.380 1.379 137.858 1.00737.35 O ATOM 2118 C3* U 0 99 230.167 2.028 137.417 1.00737.35 C ATOM 2119 O3* U 0 99 229.090 1.839 136.502 1.00737.35 O ATOM 2120 C2* U 0 99 230.135 1.004 138.543 1.00737.35 C ATOM 2121 O2* U 0 99 229.740 -0.284 138.111 1.00737.35 O ATOM 2122 C1* U 0 99 231.603 0.977 138.975 1.00737.35 C ATOM 2123 N1 U 0 99 231.898 1.874 140.107 1.00737.35 N ATOM 2124 C2 U 0 99 231.740 1.372 141.391 1.00737.35 C ATOM 2125 O2 U 0 99 231.367 0.230 141.620 1.00737.35 O ATOM 2126 N3 U 0 99 232.029 2.258 142.399 1.00737.35 N ATOM 2127 C4 U 0 99 232.451 3.562 142.264 1.00737.35 C ATOM 2128 O4 U 0 99 232.671 4.236 143.272 1.00737.35 O ATOM 2129 C5 U 0 99 232.593 4.009 140.912 1.00737.35 C ATOM 2130 C6 U 0 99 232.320 3.172 139.907 1.00737.35 C ATOM 2131 P G 0 100 227.772 2.757 136.610 1.00737.35 P ATOM 2132 O1P G 0 100 227.879 3.585 137.840 1.00737.35 O ATOM 2133 O2P G 0 100 226.592 1.874 136.422 1.00737.35 O ATOM 2134 O5* G 0 100 227.887 3.739 135.359 1.00737.35 O ATOM 2135 C5* G 0 100 226.955 3.672 134.280 1.00737.35 C ATOM 2136 C4* G 0 100 227.539 4.315 133.043 1.00737.35 C ATOM 2137 O4* G 0 100 228.799 3.668 132.722 1.00737.35 O ATOM 2138 C3* G 0 100 226.705 4.173 131.778 1.00737.35 C ATOM 2139 O3* G 0 100 225.719 5.196 131.694 1.00737.35 O ATOM 2140 C2* G 0 100 227.758 4.309 130.683 1.00737.35 C ATOM 2141 O2* G 0 100 228.109 5.652 130.411 1.00737.35 O ATOM 2142 C1* G 0 100 228.946 3.578 131.314 1.00737.35 C ATOM 2143 N9 G 0 100 229.021 2.164 130.950 1.00737.35 N ATOM 2144 C8 G 0 100 228.218 1.146 131.407 1.00737.35 C ATOM 2145 N7 G 0 100 228.527 -0.017 130.898 1.00737.35 N ATOM 2146 C5 G 0 100 229.596 0.248 130.056 1.00737.35 C ATOM 2147 C6 G 0 100 230.357 -0.623 129.232 1.00737.35 C ATOM 2148 O6 G 0 100 230.229 -1.844 129.079 1.00737.35 O ATOM 2149 N1 G 0 100 231.351 0.061 128.545 1.00737.35 N ATOM 2150 C2 G 0 100 231.589 1.411 128.636 1.00737.35 C ATOM 2151 N2 G 0 100 232.600 1.883 127.891 1.00737.35 N ATOM 2152 N3 G 0 100 230.890 2.234 129.398 1.00737.35 N ATOM 2153 C4 G 0 100 229.915 1.591 130.076 1.00737.35 C ATOM 2154 P A 0 101 224.346 4.918 130.903 1.00737.35 P ATOM 2155 O1P A 0 101 223.594 3.887 131.663 1.00737.35 O ATOM 2156 O2P A 0 101 224.673 4.679 129.475 1.00737.35 O ATOM 2157 O5* A 0 101 223.553 6.296 131.005 1.00737.35 O ATOM 2158 C5* A 0 101 222.986 6.729 132.241 1.00737.35 C ATOM 2159 C4* A 0 101 222.704 8.214 132.199 1.00737.35 C ATOM 2160 O4* A 0 101 223.958 8.932 132.038 1.00737.35 O ATOM 2161 C3* A 0 101 221.844 8.693 131.038 1.00737.35 C ATOM 2162 O3* A 0 101 220.456 8.559 131.339 1.00737.35 O ATOM 2163 C2* A 0 101 222.256 10.155 130.915 1.00737.35 C ATOM 2164 O2* A 0 101 221.616 10.997 131.853 1.00737.35 O ATOM 2165 C1* A 0 101 223.753 10.075 131.223 1.00737.35 C ATOM 2166 N9 A 0 101 224.585 9.949 130.025 1.00737.35 N ATOM 2167 C8 A 0 101 225.015 8.797 129.411 1.00737.35 C ATOM 2168 N7 A 0 101 225.749 9.008 128.345 1.00737.35 N ATOM 2169 C5 A 0 101 225.810 10.391 128.251 1.00737.35 C ATOM 2170 C6 A 0 101 226.438 11.250 127.333 1.00737.35 C ATOM 2171 N6 A 0 101 227.155 10.823 126.292 1.00737.35 N ATOM 2172 N1 A 0 101 226.302 12.581 127.523 1.00737.35 N ATOM 2173 C2 A 0 101 225.581 13.008 128.567 1.00737.35 C ATOM 2174 N3 A 0 101 224.943 12.301 129.497 1.00737.35 N ATOM 2175 C4 A 0 101 225.096 10.983 129.280 1.00737.35 C ATOM 2176 P C 0 102 219.404 8.315 130.147 1.00737.35 P ATOM 2177 O1P C 0 102 218.048 8.291 130.755 1.00737.35 O ATOM 2178 O2P C 0 102 219.866 7.159 129.339 1.00737.35 O ATOM 2179 O5* C 0 102 219.523 9.629 129.250 1.00737.35 O ATOM 2180 C5* C 0 102 219.069 10.893 129.732 1.00737.35 C ATOM 2181 C4* C 0 102 219.398 11.984 128.736 1.00737.35 C ATOM 2182 O4* C 0 102 220.840 12.095 128.605 1.00737.35 O ATOM 2183 C3* C 0 102 218.906 11.757 127.317 1.00737.35 C ATOM 2184 O3* C 0 102 217.554 12.180 127.165 1.00737.35 O ATOM 2185 C2* C 0 102 219.858 12.627 126.503 1.00737.35 C ATOM 2186 O2* C 0 102 219.497 13.994 126.498 1.00737.35 O ATOM 2187 C1* C 0 102 221.171 12.440 127.269 1.00737.35 C ATOM 2188 N1 C 0 102 222.038 11.383 126.704 1.00737.35 N ATOM 2189 C2 C 0 102 222.921 11.714 125.663 1.00737.35 C ATOM 2190 O2 C 0 102 222.956 12.882 125.243 1.00737.35 O ATOM 2191 N3 C 0 102 223.714 10.749 125.141 1.00737.35 N ATOM 2192 C4 C 0 102 223.654 9.503 125.616 1.00737.35 C ATOM 2193 N4 C 0 102 224.454 8.586 125.069 1.00737.35 N ATOM 2194 C5 C 0 102 222.768 9.141 126.673 1.00737.35 C ATOM 2195 C6 C 0 102 221.987 10.101 127.182 1.00737.35 C ATOM 2196 P U 0 103 216.542 11.311 126.266 1.00737.35 P ATOM 2197 O1P U 0 103 215.296 12.104 126.113 1.00737.35 O ATOM 2198 O2P U 0 103 216.475 9.941 126.832 1.00737.35 O ATOM 2199 O5* U 0 103 217.258 11.228 124.844 1.00737.35 O ATOM 2200 C5* U 0 103 217.461 12.398 124.053 1.00737.35 C ATOM 2201 C4* U 0 103 218.300 12.071 122.837 1.00737.35 C ATOM 2202 O4* U 0 103 219.615 11.632 123.268 1.00737.35 O ATOM 2203 C3* U 0 103 217.785 10.934 121.969 1.00737.35 C ATOM 2204 O3* U 0 103 216.814 11.406 121.038 1.00737.35 O ATOM 2205 C2* U 0 103 219.057 10.455 121.278 1.00737.35 C ATOM 2206 O2* U 0 103 219.426 11.253 120.172 1.00737.35 O ATOM 2207 C1* U 0 103 220.089 10.613 122.398 1.00737.35 C ATOM 2208 N1 U 0 103 220.309 9.386 123.186 1.00737.35 N ATOM 2209 C2 U 0 103 221.247 8.470 122.718 1.00737.35 C ATOM 2210 O2 U 0 103 221.886 8.637 121.691 1.00737.35 O ATOM 2211 N3 U 0 103 221.403 7.352 123.502 1.00737.35 N ATOM 2212 C4 U 0 103 220.738 7.060 124.676 1.00737.35 C ATOM 2213 O4 U 0 103 220.994 6.012 125.271 1.00737.35 O ATOM 2214 C5 U 0 103 219.790 8.048 125.089 1.00737.35 C ATOM 2215 C6 U 0 103 219.614 9.147 124.352 1.00737.35 C ATOM 2216 P C 0 104 215.649 10.419 120.528 1.00737.35 P ATOM 2217 O1P C 0 104 214.678 11.245 119.763 1.00737.35 O ATOM 2218 O2P C 0 104 215.176 9.609 121.678 1.00737.35 O ATOM 2219 O5* C 0 104 216.389 9.445 119.504 1.00737.35 O ATOM 2220 C5* C 0 104 216.909 9.936 118.270 1.00737.35 C ATOM 2221 C4* C 0 104 217.852 8.926 117.656 1.00737.35 C ATOM 2222 O4* C 0 104 218.967 8.709 118.565 1.00737.35 O ATOM 2223 C3* C 0 104 217.283 7.535 117.429 1.00737.35 C ATOM 2224 O3* C 0 104 216.562 7.448 116.200 1.00737.35 O ATOM 2225 C2* C 0 104 218.543 6.679 117.411 1.00737.35 C ATOM 2226 O2* C 0 104 219.238 6.732 116.180 1.00737.35 O ATOM 2227 C1* C 0 104 219.372 7.347 118.509 1.00737.35 C ATOM 2228 N1 C 0 104 219.169 6.734 119.840 1.00737.35 N ATOM 2229 C2 C 0 104 219.909 5.589 120.183 1.00737.35 C ATOM 2230 O2 C 0 104 220.718 5.119 119.363 1.00737.35 O ATOM 2231 N3 C 0 104 219.725 5.021 121.398 1.00737.35 N ATOM 2232 C4 C 0 104 218.845 5.545 122.253 1.00737.35 C ATOM 2233 N4 C 0 104 218.695 4.948 123.437 1.00737.35 N ATOM 2234 C5 C 0 104 218.080 6.705 121.933 1.00737.35 C ATOM 2235 C6 C 0 104 218.272 7.260 120.729 1.00737.35 C ATOM 2236 P G 0 105 215.106 6.755 116.171 1.00737.35 P ATOM 2237 O1P G 0 105 214.503 7.071 114.851 1.00737.35 O ATOM 2238 O2P G 0 105 214.377 7.122 117.413 1.00737.35 O ATOM 2239 O5* G 0 105 215.393 5.186 116.209 1.00737.35 O ATOM 2240 C5* G 0 105 216.266 4.625 117.186 1.00737.35 C ATOM 2241 C4* G 0 105 216.291 3.120 117.084 1.00737.35 C ATOM 2242 O4* G 0 105 217.389 2.621 117.892 1.00737.35 O ATOM 2243 C3* G 0 105 215.057 2.407 117.615 1.00737.35 C ATOM 2244 O3* G 0 105 214.046 2.293 116.619 1.00737.35 O ATOM 2245 C2* G 0 105 215.619 1.050 118.026 1.00737.35 C ATOM 2246 O2* G 0 105 215.794 0.169 116.936 1.00737.35 O ATOM 2247 C1* G 0 105 216.983 1.455 118.588 1.00737.35 C ATOM 2248 N9 G 0 105 216.953 1.766 120.015 1.00737.35 N ATOM 2249 C8 G 0 105 216.624 2.971 120.594 1.00737.35 C ATOM 2250 N7 G 0 105 216.686 2.949 121.896 1.00737.35 N ATOM 2251 C5 G 0 105 217.082 1.655 122.201 1.00737.35 C ATOM 2252 C6 G 0 105 217.318 1.038 123.454 1.00737.35 C ATOM 2253 O6 G 0 105 217.224 1.532 124.585 1.00737.35 O ATOM 2254 N1 G 0 105 217.701 -0.292 123.306 1.00737.35 N ATOM 2255 C2 G 0 105 217.841 -0.945 122.106 1.00737.35 C ATOM 2256 N2 G 0 105 218.221 -2.229 122.171 1.00737.35 N ATOM 2257 N3 G 0 105 217.624 -0.381 120.929 1.00737.35 N ATOM 2258 C4 G 0 105 217.250 0.911 121.050 1.00737.35 C ATOM 2259 P G 0 106 212.513 2.067 117.057 1.00737.35 P ATOM 2260 O1P G 0 106 211.700 2.033 115.814 1.00737.35 O ATOM 2261 O2P G 0 106 212.179 3.046 118.125 1.00737.35 O ATOM 2262 O5* G 0 106 212.505 0.608 117.698 1.00737.35 O ATOM 2263 C5* G 0 106 212.828 -0.538 116.911 1.00737.35 C ATOM 2264 C4* G 0 106 212.986 -1.757 117.793 1.00737.35 C ATOM 2265 O4* G 0 106 214.072 -1.540 118.734 1.00737.35 O ATOM 2266 C3* G 0 106 211.798 -2.108 118.674 1.00737.35 C ATOM 2267 O3* G 0 106 210.828 -2.856 117.945 1.00737.35 O ATOM 2268 C2* G 0 106 212.450 -2.937 119.777 1.00737.35 C ATOM 2269 O2* G 0 106 212.670 -4.284 119.407 1.00737.35 O ATOM 2270 C1* G 0 106 213.793 -2.223 119.945 1.00737.35 C ATOM 2271 N9 G 0 106 213.808 -1.259 121.045 1.00737.35 N ATOM 2272 C8 G 0 106 213.596 0.099 120.972 1.00737.35 C ATOM 2273 N7 G 0 106 213.670 0.692 122.131 1.00737.35 N ATOM 2274 C5 G 0 106 213.949 -0.331 123.026 1.00737.35 C ATOM 2275 C6 G 0 106 214.143 -0.297 124.434 1.00737.35 C ATOM 2276 O6 G 0 106 214.106 0.680 125.194 1.00737.35 O ATOM 2277 N1 G 0 106 214.406 -1.562 124.945 1.00737.35 N ATOM 2278 C2 G 0 106 214.472 -2.716 124.205 1.00737.35 C ATOM 2279 N2 G 0 106 214.735 -3.841 124.884 1.00737.35 N ATOM 2280 N3 G 0 106 214.294 -2.762 122.894 1.00737.35 N ATOM 2281 C4 G 0 106 214.038 -1.542 122.374 1.00737.35 C ATOM 2282 P G 0 107 209.365 -3.090 118.573 1.00737.35 P ATOM 2283 O1P G 0 107 208.539 -3.763 117.536 1.00737.35 O ATOM 2284 O2P G 0 107 208.895 -1.813 119.172 1.00737.35 O ATOM 2285 O5* G 0 107 209.625 -4.136 119.745 1.00737.35 O ATOM 2286 C5* G 0 107 208.664 -4.339 120.777 1.00737.35 C ATOM 2287 C4* G 0 107 209.300 -5.048 121.948 1.00737.35 C ATOM 2288 O4* G 0 107 210.478 -4.313 122.373 1.00737.35 O ATOM 2289 C3* G 0 107 208.437 -5.143 123.197 1.00737.35 C ATOM 2290 O3* G 0 107 207.582 -6.281 123.135 1.00737.35 O ATOM 2291 C2* G 0 107 209.477 -5.270 124.304 1.00737.35 C ATOM 2292 O2* G 0 107 209.970 -6.587 124.456 1.00737.35 O ATOM 2293 C1* G 0 107 210.591 -4.358 123.784 1.00737.35 C ATOM 2294 N9 G 0 107 210.530 -2.990 124.297 1.00737.35 N ATOM 2295 C8 G 0 107 210.146 -1.861 123.609 1.00737.35 C ATOM 2296 N7 G 0 107 210.204 -0.776 124.330 1.00737.35 N ATOM 2297 C5 G 0 107 210.650 -1.209 125.573 1.00737.35 C ATOM 2298 C6 G 0 107 210.906 -0.481 126.760 1.00737.35 C ATOM 2299 O6 G 0 107 210.790 0.736 126.961 1.00737.35 O ATOM 2300 N1 G 0 107 211.342 -1.315 127.786 1.00737.35 N ATOM 2301 C2 G 0 107 211.510 -2.673 127.684 1.00737.35 C ATOM 2302 N2 G 0 107 211.935 -3.302 128.789 1.00737.35 N ATOM 2303 N3 G 0 107 211.279 -3.363 126.579 1.00737.35 N ATOM 2304 C4 G 0 107 210.853 -2.574 125.569 1.00737.35 C ATOM 2305 P G 0 108 206.196 -6.282 123.952 1.00737.35 P ATOM 2306 O1P G 0 108 205.553 -7.602 123.723 1.00737.35 O ATOM 2307 O2P G 0 108 205.456 -5.037 123.621 1.00737.35 O ATOM 2308 O5* G 0 108 206.654 -6.214 125.476 1.00737.35 O ATOM 2309 C5* G 0 108 205.762 -5.759 126.490 1.00737.35 C ATOM 2310 C4* G 0 108 206.488 -5.641 127.809 1.00737.35 C ATOM 2311 O4* G 0 108 207.673 -4.820 127.633 1.00737.35 O ATOM 2312 C3* G 0 108 205.705 -4.957 128.917 1.00737.35 C ATOM 2313 O3* G 0 108 204.871 -5.890 129.596 1.00737.35 O ATOM 2314 C2* G 0 108 206.813 -4.415 129.813 1.00737.35 C ATOM 2315 O2* G 0 108 207.347 -5.391 130.688 1.00737.35 O ATOM 2316 C1* G 0 108 207.868 -4.010 128.781 1.00737.35 C ATOM 2317 N9 G 0 108 207.799 -2.605 128.376 1.00737.35 N ATOM 2318 C8 G 0 108 207.418 -2.117 127.147 1.00737.35 C ATOM 2319 N7 G 0 108 207.465 -0.816 127.076 1.00737.35 N ATOM 2320 C5 G 0 108 207.902 -0.416 128.332 1.00737.35 C ATOM 2321 C6 G 0 108 208.147 0.881 128.849 1.00737.35 C ATOM 2322 O6 G 0 108 208.027 1.975 128.280 1.00737.35 O ATOM 2323 N1 G 0 108 208.575 0.830 130.170 1.00737.35 N ATOM 2324 C2 G 0 108 208.749 -0.317 130.902 1.00737.35 C ATOM 2325 N2 G 0 108 209.164 -0.153 132.170 1.00737.35 N ATOM 2326 N3 G 0 108 208.532 -1.534 130.433 1.00737.35 N ATOM 2327 C4 G 0 108 208.112 -1.509 129.148 1.00737.35 C ATOM 2328 P A 0 109 203.526 -5.382 130.317 1.00737.35 P ATOM 2329 O1P A 0 109 202.810 -6.586 130.812 1.00737.35 O ATOM 2330 O2P A 0 109 202.828 -4.440 129.405 1.00737.35 O ATOM 2331 O5* A 0 109 204.052 -4.557 131.574 1.00737.35 O ATOM 2332 C5* A 0 109 204.645 -5.218 132.691 1.00737.35 C ATOM 2333 C4* A 0 109 205.097 -4.207 133.721 1.00737.35 C ATOM 2334 O4* A 0 109 206.153 -3.386 133.152 1.00737.35 O ATOM 2335 C3* A 0 109 204.041 -3.202 134.155 1.00737.35 C ATOM 2336 O3* A 0 109 203.187 -3.712 135.175 1.00737.35 O ATOM 2337 C2* A 0 109 204.892 -2.040 134.645 1.00737.35 C ATOM 2338 O2* A 0 109 205.419 -2.238 135.940 1.00737.35 O ATOM 2339 C1* A 0 109 206.021 -2.048 133.612 1.00737.35 C ATOM 2340 N9 A 0 109 205.733 -1.189 132.459 1.00737.35 N ATOM 2341 C8 A 0 109 205.341 -1.567 131.196 1.00737.35 C ATOM 2342 N7 A 0 109 205.150 -0.561 130.379 1.00737.35 N ATOM 2343 C5 A 0 109 205.437 0.556 131.149 1.00737.35 C ATOM 2344 C6 A 0 109 205.421 1.931 130.863 1.00737.35 C ATOM 2345 N6 A 0 109 205.093 2.439 129.671 1.00737.35 N ATOM 2346 N1 A 0 109 205.761 2.784 131.855 1.00737.35 N ATOM 2347 C2 A 0 109 206.090 2.278 133.050 1.00737.35 C ATOM 2348 N3 A 0 109 206.140 1.007 133.441 1.00737.35 N ATOM 2349 C4 A 0 109 205.800 0.185 132.432 1.00737.35 C ATOM 2350 P U 0 110 201.588 -3.577 135.022 1.00737.35 P ATOM 2351 O1P U 0 110 200.987 -4.096 136.277 1.00737.35 O ATOM 2352 O2P U 0 110 201.192 -4.169 133.719 1.00737.35 O ATOM 2353 O5* U 0 110 201.314 -2.005 134.965 1.00737.35 O ATOM 2354 C5* U 0 110 201.852 -1.199 133.916 1.00737.35 C ATOM 2355 C4* U 0 110 201.972 0.236 134.364 1.00737.35 C ATOM 2356 O4* U 0 110 202.873 0.949 133.476 1.00737.35 O ATOM 2357 C3* U 0 110 200.687 1.047 134.326 1.00737.35 C ATOM 2358 O3* U 0 110 199.896 0.851 135.494 1.00737.35 O ATOM 2359 C2* U 0 110 201.209 2.474 134.219 1.00737.35 C ATOM 2360 O2* U 0 110 201.607 3.015 135.463 1.00737.35 O ATOM 2361 C1* U 0 110 202.432 2.288 133.318 1.00737.35 C ATOM 2362 N1 U 0 110 202.159 2.529 131.892 1.00737.35 N ATOM 2363 C2 U 0 110 202.285 3.828 131.418 1.00737.35 C ATOM 2364 O2 U 0 110 202.613 4.769 132.125 1.00737.35 O ATOM 2365 N3 U 0 110 202.016 3.984 130.080 1.00737.35 N ATOM 2366 C4 U 0 110 201.641 3.002 129.185 1.00737.35 C ATOM 2367 O4 U 0 110 201.436 3.303 128.008 1.00737.35 O ATOM 2368 C5 U 0 110 201.529 1.693 129.747 1.00737.35 C ATOM 2369 C6 U 0 110 201.784 1.504 131.046 1.00737.35 C ATOM 2370 P G 0 111 198.302 1.018 135.409 1.00737.35 P ATOM 2371 O1P G 0 111 197.797 1.193 136.795 1.00737.35 O ATOM 2372 O2P G 0 111 197.762 -0.078 134.563 1.00737.35 O ATOM 2373 O5* G 0 111 198.113 2.400 134.635 1.00737.35 O ATOM 2374 C5* G 0 111 196.904 2.704 133.944 1.00737.35 C ATOM 2375 C4* G 0 111 197.149 3.798 132.932 1.00737.35 C ATOM 2376 O4* G 0 111 198.149 3.356 131.979 1.00737.35 O ATOM 2377 C3* G 0 111 195.955 4.176 132.074 1.00737.35 C ATOM 2378 O3* G 0 111 195.141 5.128 132.748 1.00737.35 O ATOM 2379 C2* G 0 111 196.620 4.785 130.844 1.00737.35 C ATOM 2380 O2* G 0 111 197.004 6.133 131.028 1.00737.35 O ATOM 2381 C1* G 0 111 197.866 3.906 130.701 1.00737.35 C ATOM 2382 N9 G 0 111 197.705 2.816 129.745 1.00737.35 N ATOM 2383 C8 G 0 111 197.270 1.535 130.005 1.00737.35 C ATOM 2384 N7 G 0 111 197.231 0.782 128.940 1.00737.35 N ATOM 2385 C5 G 0 111 197.663 1.613 127.914 1.00737.35 C ATOM 2386 C6 G 0 111 197.828 1.351 126.529 1.00737.35 C ATOM 2387 O6 G 0 111 197.618 0.300 125.910 1.00737.35 O ATOM 2388 N1 G 0 111 198.289 2.474 125.849 1.00737.35 N ATOM 2389 C2 G 0 111 198.556 3.692 126.424 1.00737.35 C ATOM 2390 N2 G 0 111 198.993 4.654 125.598 1.00737.35 N ATOM 2391 N3 G 0 111 198.406 3.949 127.713 1.00737.35 N ATOM 2392 C4 G 0 111 197.960 2.870 128.393 1.00737.35 C ATOM 2393 P U 0 112 193.548 5.098 132.552 1.00737.35 P ATOM 2394 O1P U 0 112 193.034 3.895 133.255 1.00737.35 O ATOM 2395 O2P U 0 112 193.250 5.287 131.109 1.00737.35 O ATOM 2396 O5* U 0 112 193.046 6.393 133.336 1.00737.35 O ATOM 2397 C5* U 0 112 193.110 6.463 134.760 1.00737.35 C ATOM 2398 C4* U 0 112 192.689 7.836 135.232 1.00737.35 C ATOM 2399 O4* U 0 112 193.680 8.816 134.824 1.00737.35 O ATOM 2400 C3* U 0 112 191.380 8.341 134.644 1.00737.35 C ATOM 2401 O3* U 0 112 190.273 7.862 135.400 1.00737.35 O ATOM 2402 C2* U 0 112 191.543 9.854 134.735 1.00737.35 C ATOM 2403 O2* U 0 112 191.255 10.368 136.020 1.00737.35 O ATOM 2404 C1* U 0 112 193.035 10.019 134.435 1.00737.35 C ATOM 2405 N1 U 0 112 193.343 10.275 133.016 1.00737.35 N ATOM 2406 C2 U 0 112 193.234 11.579 132.548 1.00737.35 C ATOM 2407 O2 U 0 112 192.886 12.514 133.251 1.00737.35 O ATOM 2408 N3 U 0 112 193.550 11.744 131.221 1.00737.35 N ATOM 2409 C4 U 0 112 193.955 10.764 130.332 1.00737.35 C ATOM 2410 O4 U 0 112 194.226 11.072 129.171 1.00737.35 O ATOM 2411 C5 U 0 112 194.034 9.450 130.888 1.00737.35 C ATOM 2412 C6 U 0 112 193.733 9.254 132.174 1.00737.35 C ATOM 2413 P C 0 113 189.019 7.198 134.645 1.00737.35 P ATOM 2414 O1P C 0 113 188.150 6.593 135.687 1.00737.35 O ATOM 2415 O2P C 0 113 189.528 6.350 133.535 1.00737.35 O ATOM 2416 O5* C 0 113 188.252 8.441 134.010 1.00737.35 O ATOM 2417 C5* C 0 113 187.443 9.293 134.817 1.00737.35 C ATOM 2418 C4* C 0 113 186.881 10.427 133.989 1.00737.35 C ATOM 2419 O4* C 0 113 187.967 11.276 133.535 1.00737.35 O ATOM 2420 C3* C 0 113 186.166 10.025 132.708 1.00737.35 C ATOM 2421 O3* C 0 113 184.819 9.641 132.958 1.00737.35 O ATOM 2422 C2* C 0 113 186.259 11.297 131.879 1.00737.35 C ATOM 2423 O2* C 0 113 185.296 12.267 132.238 1.00737.35 O ATOM 2424 C1* C 0 113 187.660 11.794 132.249 1.00737.35 C ATOM 2425 N1 C 0 113 188.698 11.349 131.296 1.00737.35 N ATOM 2426 C2 C 0 113 188.945 12.126 130.151 1.00737.35 C ATOM 2427 O2 C 0 113 188.297 13.172 129.978 1.00737.35 O ATOM 2428 N3 C 0 113 189.883 11.717 129.267 1.00737.35 N ATOM 2429 C4 C 0 113 190.563 10.588 129.484 1.00737.35 C ATOM 2430 N4 C 0 113 191.473 10.222 128.578 1.00737.35 N ATOM 2431 C5 C 0 113 190.339 9.784 130.638 1.00737.35 C ATOM 2432 C6 C 0 113 189.408 10.196 131.511 1.00737.35 C ATOM 2433 P C 0 114 184.073 8.648 131.936 1.00737.35 P ATOM 2434 O1P C 0 114 182.728 8.366 132.499 1.00737.35 O ATOM 2435 O2P C 0 114 184.985 7.520 131.619 1.00737.35 O ATOM 2436 O5* C 0 114 183.889 9.523 130.616 1.00737.35 O ATOM 2437 C5* C 0 114 183.011 10.646 130.603 1.00737.35 C ATOM 2438 C4* C 0 114 183.001 11.300 129.240 1.00737.35 C ATOM 2439 O4* C 0 114 184.300 11.879 128.959 1.00737.35 O ATOM 2440 C3* C 0 114 182.744 10.387 128.052 1.00737.35 C ATOM 2441 O3* C 0 114 181.350 10.157 127.876 1.00737.35 O ATOM 2442 C2* C 0 114 183.325 11.195 126.893 1.00737.35 C ATOM 2443 O2* C 0 114 182.432 12.170 126.394 1.00737.35 O ATOM 2444 C1* C 0 114 184.522 11.882 127.557 1.00737.35 C ATOM 2445 N1 C 0 114 185.822 11.242 127.267 1.00737.35 N ATOM 2446 C2 C 0 114 186.475 11.557 126.061 1.00737.35 C ATOM 2447 O2 C 0 114 185.941 12.356 125.272 1.00737.35 O ATOM 2448 N3 C 0 114 187.669 10.985 125.787 1.00737.35 N ATOM 2449 C4 C 0 114 188.216 10.131 126.655 1.00737.35 C ATOM 2450 N4 C 0 114 189.398 9.595 126.341 1.00737.35 N ATOM 2451 C5 C 0 114 187.574 9.787 127.881 1.00737.35 C ATOM 2452 C6 C 0 114 186.392 10.360 128.144 1.00737.35 C ATOM 2453 P G 0 115 180.842 8.772 127.236 1.00737.35 P ATOM 2454 O1P G 0 115 179.374 8.884 127.046 1.00737.35 O ATOM 2455 O2P G 0 115 181.392 7.654 128.045 1.00737.35 O ATOM 2456 O5* G 0 115 181.530 8.734 125.799 1.00737.35 O ATOM 2457 C5* G 0 115 181.187 9.684 124.793 1.00737.35 C ATOM 2458 C4* G 0 115 182.135 9.575 123.622 1.00737.35 C ATOM 2459 O4* G 0 115 183.477 9.914 124.059 1.00737.35 O ATOM 2460 C3* G 0 115 182.270 8.182 123.022 1.00737.35 C ATOM 2461 O3* G 0 115 181.243 7.943 122.065 1.00737.35 O ATOM 2462 C2* G 0 115 183.651 8.238 122.380 1.00737.35 C ATOM 2463 O2* G 0 115 183.652 8.874 121.117 1.00737.35 O ATOM 2464 C1* G 0 115 184.422 9.092 123.393 1.00737.35 C ATOM 2465 N9 G 0 115 185.140 8.310 124.394 1.00737.35 N ATOM 2466 C8 G 0 115 184.627 7.763 125.545 1.00737.35 C ATOM 2467 N7 G 0 115 185.518 7.116 126.246 1.00737.35 N ATOM 2468 C5 G 0 115 186.692 7.244 125.517 1.00737.35 C ATOM 2469 C6 G 0 115 187.995 6.752 125.781 1.00737.35 C ATOM 2470 O6 G 0 115 188.388 6.081 126.744 1.00737.35 O ATOM 2471 N1 G 0 115 188.890 7.113 124.778 1.00737.35 N ATOM 2472 C2 G 0 115 188.574 7.850 123.665 1.00737.35 C ATOM 2473 N2 G 0 115 189.578 8.089 122.809 1.00737.35 N ATOM 2474 N3 G 0 115 187.363 8.318 123.408 1.00737.35 N ATOM 2475 C4 G 0 115 186.476 7.979 124.369 1.00737.35 C ATOM 2476 P A 0 116 180.291 6.654 122.216 1.00737.35 P ATOM 2477 O1P A 0 116 178.898 7.131 122.020 1.00737.35 O ATOM 2478 O2P A 0 116 180.647 5.929 123.464 1.00737.35 O ATOM 2479 O5* A 0 116 180.696 5.728 120.982 1.00737.35 O ATOM 2480 C5* A 0 116 179.810 5.545 119.878 1.00737.35 C ATOM 2481 C4* A 0 116 179.858 4.112 119.397 1.00737.35 C ATOM 2482 O4* A 0 116 181.169 3.831 118.840 1.00737.35 O ATOM 2483 C3* A 0 116 179.679 3.052 120.470 1.00737.35 C ATOM 2484 O3* A 0 116 178.301 2.834 120.765 1.00737.35 O ATOM 2485 C2* A 0 116 180.331 1.834 119.827 1.00737.35 C ATOM 2486 O2* A 0 116 179.491 1.171 118.905 1.00737.35 O ATOM 2487 C1* A 0 116 181.511 2.477 119.092 1.00737.35 C ATOM 2488 N9 A 0 116 182.769 2.457 119.845 1.00737.35 N ATOM 2489 C8 A 0 116 182.958 2.655 121.192 1.00737.35 C ATOM 2490 N7 A 0 116 184.208 2.567 121.569 1.00737.35 N ATOM 2491 C5 A 0 116 184.893 2.292 120.395 1.00737.35 C ATOM 2492 C6 A 0 116 186.256 2.086 120.122 1.00737.35 C ATOM 2493 N6 A 0 116 187.213 2.120 121.054 1.00737.35 N ATOM 2494 N1 A 0 116 186.612 1.835 118.844 1.00737.35 N ATOM 2495 C2 A 0 116 185.653 1.798 117.911 1.00737.35 C ATOM 2496 N3 A 0 116 184.339 1.976 118.042 1.00737.35 N ATOM 2497 C4 A 0 116 184.021 2.221 119.323 1.00737.35 C ATOM 2498 P A 0 117 177.738 3.171 122.232 1.00737.35 P ATOM 2499 O1P A 0 117 176.506 2.365 122.428 1.00737.35 O ATOM 2500 O2P A 0 117 177.677 4.650 122.373 1.00737.35 O ATOM 2501 O5* A 0 117 178.858 2.608 123.215 1.00737.35 O ATOM 2502 C5* A 0 117 179.149 3.254 124.454 1.00737.35 C ATOM 2503 C4* A 0 117 180.193 2.474 125.220 1.00737.35 C ATOM 2504 O4* A 0 117 181.362 2.289 124.385 1.00737.35 O ATOM 2505 C3* A 0 117 180.726 3.156 126.473 1.00737.35 C ATOM 2506 O3* A 0 117 179.907 2.869 127.605 1.00737.35 O ATOM 2507 C2* A 0 117 182.094 2.498 126.647 1.00737.35 C ATOM 2508 O2* A 0 117 182.034 1.264 127.337 1.00737.35 O ATOM 2509 C1* A 0 117 182.520 2.248 125.198 1.00737.35 C ATOM 2510 N9 A 0 117 183.499 3.197 124.672 1.00737.35 N ATOM 2511 C8 A 0 117 183.306 4.483 124.228 1.00737.35 C ATOM 2512 N7 A 0 117 184.400 5.063 123.798 1.00737.35 N ATOM 2513 C5 A 0 117 185.380 4.098 123.975 1.00737.35 C ATOM 2514 C6 A 0 117 186.760 4.090 123.704 1.00737.35 C ATOM 2515 N6 A 0 117 187.416 5.121 123.170 1.00737.35 N ATOM 2516 N1 A 0 117 187.452 2.969 123.998 1.00737.35 N ATOM 2517 C2 A 0 117 186.791 1.931 124.524 1.00737.35 C ATOM 2518 N3 A 0 117 185.501 1.815 124.819 1.00737.35 N ATOM 2519 C4 A 0 117 184.842 2.946 124.516 1.00737.35 C ATOM 2520 P U 0 118 178.419 3.472 127.700 1.00737.35 P ATOM 2521 O1P U 0 118 178.373 4.735 126.917 1.00737.35 O ATOM 2522 O2P U 0 118 178.027 3.490 129.134 1.00737.35 O ATOM 2523 O5* U 0 118 177.537 2.382 126.938 1.00737.35 O ATOM 2524 C5* U 0 118 176.674 1.501 127.657 1.00737.35 C ATOM 2525 C4* U 0 118 177.300 0.129 127.787 1.00737.35 C ATOM 2526 O4* U 0 118 177.353 -0.530 126.497 1.00737.35 O ATOM 2527 C3* U 0 118 178.736 0.087 128.284 1.00737.35 C ATOM 2528 O3* U 0 118 178.778 0.168 129.706 1.00737.35 O ATOM 2529 C2* U 0 118 179.216 -1.279 127.798 1.00737.35 C ATOM 2530 O2* U 0 118 178.888 -2.331 128.680 1.00737.35 O ATOM 2531 C1* U 0 118 178.434 -1.453 126.489 1.00737.35 C ATOM 2532 N1 U 0 118 179.217 -1.287 125.251 1.00737.35 N ATOM 2533 C2 U 0 118 180.310 -2.126 125.052 1.00737.35 C ATOM 2534 O2 U 0 118 180.655 -2.976 125.856 1.00737.35 O ATOM 2535 N3 U 0 118 180.985 -1.930 123.872 1.00737.35 N ATOM 2536 C4 U 0 118 180.690 -1.009 122.889 1.00737.35 C ATOM 2537 O4 U 0 118 181.397 -0.953 121.881 1.00737.35 O ATOM 2538 C5 U 0 118 179.557 -0.185 123.164 1.00737.35 C ATOM 2539 C6 U 0 118 178.876 -0.343 124.303 1.00737.35 C ATOM 2540 P G 0 119 180.125 0.642 130.445 1.00737.35 P ATOM 2541 O1P G 0 119 180.189 2.123 130.341 1.00737.35 O ATOM 2542 O2P G 0 119 181.259 -0.176 129.942 1.00737.35 O ATOM 2543 O5* G 0 119 179.876 0.267 131.972 1.00737.35 O ATOM 2544 C5* G 0 119 179.359 -1.013 132.337 1.00737.35 C ATOM 2545 C4* G 0 119 178.387 -0.876 133.485 1.00737.35 C ATOM 2546 O4* G 0 119 179.101 -0.436 134.671 1.00737.35 O ATOM 2547 C3* G 0 119 177.291 0.158 133.289 1.00737.35 C ATOM 2548 O3* G 0 119 176.191 -0.394 132.572 1.00737.35 O ATOM 2549 C2* G 0 119 176.922 0.521 134.724 1.00737.35 C ATOM 2550 O2* G 0 119 176.039 -0.407 135.322 1.00737.35 O ATOM 2551 C1* G 0 119 178.288 0.459 135.413 1.00737.35 C ATOM 2552 N9 G 0 119 178.975 1.747 135.495 1.00737.35 N ATOM 2553 C8 G 0 119 180.090 2.138 134.791 1.00737.35 C ATOM 2554 N7 G 0 119 180.485 3.346 135.088 1.00737.35 N ATOM 2555 C5 G 0 119 179.577 3.781 136.041 1.00737.35 C ATOM 2556 C6 G 0 119 179.495 5.016 136.738 1.00737.35 C ATOM 2557 O6 G 0 119 180.238 6.002 136.649 1.00737.35 O ATOM 2558 N1 G 0 119 178.414 5.039 137.612 1.00737.35 N ATOM 2559 C2 G 0 119 177.526 4.009 137.799 1.00737.35 C ATOM 2560 N2 G 0 119 176.545 4.226 138.689 1.00737.35 N ATOM 2561 N3 G 0 119 177.591 2.852 137.159 1.00737.35 N ATOM 2562 C4 G 0 119 178.635 2.809 136.302 1.00737.35 C ATOM 2563 P G 0 120 175.406 0.506 131.495 1.00737.35 P ATOM 2564 O1P G 0 120 174.517 -0.403 130.727 1.00737.35 O ATOM 2565 O2P G 0 120 176.395 1.345 130.770 1.00737.35 O ATOM 2566 O5* G 0 120 174.498 1.469 132.383 1.00737.35 O ATOM 2567 C5* G 0 120 173.260 1.017 132.930 1.00737.35 C ATOM 2568 C4* G 0 120 172.566 2.144 133.662 1.00737.35 C ATOM 2569 O4* G 0 120 173.370 2.542 134.803 1.00737.35 O ATOM 2570 C3* G 0 120 172.376 3.428 132.866 1.00737.35 C ATOM 2571 O3* G 0 120 171.206 3.368 132.058 1.00737.35 O ATOM 2572 C2* G 0 120 172.258 4.472 133.967 1.00737.35 C ATOM 2573 O2* G 0 120 170.969 4.532 134.547 1.00737.35 O ATOM 2574 C1* G 0 120 173.265 3.946 134.993 1.00737.35 C ATOM 2575 N9 G 0 120 174.595 4.534 134.852 1.00737.35 N ATOM 2576 C8 G 0 120 175.689 3.984 134.223 1.00737.35 C ATOM 2577 N7 G 0 120 176.741 4.752 134.256 1.00737.35 N ATOM 2578 C5 G 0 120 176.323 5.879 134.949 1.00737.35 C ATOM 2579 C6 G 0 120 177.030 7.060 135.297 1.00737.35 C ATOM 2580 O6 G 0 120 178.207 7.351 135.052 1.00737.35 O ATOM 2581 N1 G 0 120 176.227 7.949 136.000 1.00737.35 N ATOM 2582 C2 G 0 120 174.909 7.736 136.324 1.00737.35 C ATOM 2583 N2 G 0 120 174.303 8.720 137.006 1.00737.35 N ATOM 2584 N3 G 0 120 174.238 6.642 136.009 1.00737.35 N ATOM 2585 C4 G 0 120 175.001 5.761 135.326 1.00737.35 C ATOM 2586 P G 0 121 171.108 4.263 130.726 1.00737.35 P ATOM 2587 O1P G 0 121 169.822 3.927 130.060 1.00737.35 O ATOM 2588 O2P G 0 121 172.380 4.127 129.970 1.00737.35 O ATOM 2589 O5* G 0 121 171.011 5.756 131.272 1.00737.35 O ATOM 2590 C5* G 0 121 169.885 6.184 132.037 1.00737.35 C ATOM 2591 C4* G 0 121 170.107 7.581 132.571 1.00737.35 C ATOM 2592 O4* G 0 121 171.246 7.580 133.471 1.00737.35 O ATOM 2593 C3* G 0 121 170.447 8.646 131.539 1.00737.35 C ATOM 2594 O3* G 0 121 169.269 9.163 130.927 1.00737.35 O ATOM 2595 C2* G 0 121 171.149 9.702 132.387 1.00737.35 C ATOM 2596 O2* G 0 121 170.258 10.557 133.070 1.00737.35 O ATOM 2597 C1* G 0 121 171.906 8.835 133.396 1.00737.35 C ATOM 2598 N9 G 0 121 173.306 8.613 133.039 1.00737.35 N ATOM 2599 C8 G 0 121 173.841 7.529 132.383 1.00737.35 C ATOM 2600 N7 G 0 121 175.130 7.624 132.205 1.00737.35 N ATOM 2601 C5 G 0 121 175.469 8.843 132.777 1.00737.35 C ATOM 2602 C6 G 0 121 176.730 9.489 132.889 1.00737.35 C ATOM 2603 O6 G 0 121 177.834 9.100 132.491 1.00737.35 O ATOM 2604 N1 G 0 121 176.619 10.711 133.544 1.00737.35 N ATOM 2605 C2 G 0 121 175.452 11.247 134.029 1.00737.35 C ATOM 2606 N2 G 0 121 175.551 12.442 134.630 1.00737.35 N ATOM 2607 N3 G 0 121 174.273 10.657 133.930 1.00737.35 N ATOM 2608 C4 G 0 121 174.355 9.464 133.297 1.00737.35 C ATOM 2609 P G 0 122 169.332 9.719 129.418 1.00737.35 P ATOM 2610 O1P G 0 122 167.972 10.209 129.073 1.00737.35 O ATOM 2611 O2P G 0 122 169.979 8.691 128.564 1.00737.35 O ATOM 2612 O5* G 0 122 170.305 10.979 129.509 1.00737.35 O ATOM 2613 C5* G 0 122 169.952 12.127 130.280 1.00737.35 C ATOM 2614 C4* G 0 122 171.151 13.029 130.457 1.00737.35 C ATOM 2615 O4* G 0 122 172.184 12.310 131.180 1.00737.35 O ATOM 2616 C3* G 0 122 171.829 13.483 129.172 1.00737.35 C ATOM 2617 O3* G 0 122 171.194 14.643 128.645 1.00737.35 O ATOM 2618 C2* G 0 122 173.248 13.782 129.644 1.00737.35 C ATOM 2619 O2* G 0 122 173.373 15.050 130.262 1.00737.35 O ATOM 2620 C1* G 0 122 173.462 12.679 130.681 1.00737.35 C ATOM 2621 N9 G 0 122 174.107 11.486 130.139 1.00737.35 N ATOM 2622 C8 G 0 122 173.495 10.377 129.605 1.00737.35 C ATOM 2623 N7 G 0 122 174.340 9.469 129.200 1.00737.35 N ATOM 2624 C5 G 0 122 175.588 10.007 129.485 1.00737.35 C ATOM 2625 C6 G 0 122 176.887 9.479 129.269 1.00737.35 C ATOM 2626 O6 G 0 122 177.204 8.393 128.771 1.00737.35 O ATOM 2627 N1 G 0 122 177.873 10.359 129.703 1.00737.35 N ATOM 2628 C2 G 0 122 177.643 11.587 130.272 1.00737.35 C ATOM 2629 N2 G 0 122 178.729 12.288 130.625 1.00737.35 N ATOM 2630 N3 G 0 122 176.438 12.090 130.478 1.00737.35 N ATOM 2631 C4 G 0 122 175.462 11.253 130.063 1.00737.35 C ATOM 2632 P A 0 123 171.201 14.908 127.057 1.00737.35 P ATOM 2633 O1P A 0 123 169.784 14.945 126.614 1.00737.35 O ATOM 2634 O2P A 0 123 172.150 13.969 126.402 1.00737.35 O ATOM 2635 O5* A 0 123 171.792 16.381 126.921 1.00737.35 O ATOM 2636 C5* A 0 123 173.061 16.718 127.481 1.00737.35 C ATOM 2637 C4* A 0 123 173.464 18.112 127.059 1.00737.35 C ATOM 2638 O4* A 0 123 172.439 19.055 127.466 1.00737.35 O ATOM 2639 C3* A 0 123 174.739 18.642 127.696 1.00737.35 C ATOM 2640 O3* A 0 123 175.891 18.202 126.983 1.00737.35 O ATOM 2641 C2* A 0 123 174.544 20.149 127.595 1.00737.35 C ATOM 2642 O2* A 0 123 174.847 20.659 126.311 1.00737.35 O ATOM 2643 C1* A 0 123 173.044 20.275 127.868 1.00737.35 C ATOM 2644 N9 A 0 123 172.729 20.507 129.280 1.00737.35 N ATOM 2645 C8 A 0 123 172.217 19.616 130.192 1.00737.35 C ATOM 2646 N7 A 0 123 172.046 20.121 131.389 1.00737.35 N ATOM 2647 C5 A 0 123 172.475 21.435 131.260 1.00737.35 C ATOM 2648 C6 A 0 123 172.549 22.500 132.175 1.00737.35 C ATOM 2649 N6 A 0 123 172.180 22.405 133.455 1.00737.35 N ATOM 2650 N1 A 0 123 173.028 23.681 131.726 1.00737.35 N ATOM 2651 C2 A 0 123 173.400 23.775 130.444 1.00737.35 C ATOM 2652 N3 A 0 123 173.376 22.848 129.489 1.00737.35 N ATOM 2653 C4 A 0 123 172.899 21.687 129.967 1.00737.35 C ATOM 2654 P A 0 124 177.356 18.431 127.611 1.00737.35 P ATOM 2655 O1P A 0 124 177.242 18.360 129.091 1.00737.35 O ATOM 2656 O2P A 0 124 177.942 19.639 126.979 1.00737.35 O ATOM 2657 O5* A 0 124 178.189 17.164 127.117 1.00737.35 O ATOM 2658 C5* A 0 124 177.934 15.867 127.655 1.00737.35 C ATOM 2659 C4* A 0 124 179.235 15.139 127.895 1.00737.35 C ATOM 2660 O4* A 0 124 179.894 14.898 126.628 1.00737.35 O ATOM 2661 C3* A 0 124 180.265 15.892 128.723 1.00737.35 C ATOM 2662 O3* A 0 124 180.023 15.713 130.117 1.00737.35 O ATOM 2663 C2* A 0 124 181.574 15.251 128.278 1.00737.35 C ATOM 2664 O2* A 0 124 181.841 14.029 128.934 1.00737.35 O ATOM 2665 C1* A 0 124 181.299 14.994 126.794 1.00737.35 C ATOM 2666 N9 A 0 124 181.799 16.046 125.904 1.00737.35 N ATOM 2667 C8 A 0 124 181.284 17.305 125.707 1.00737.35 C ATOM 2668 N7 A 0 124 181.953 18.021 124.839 1.00737.35 N ATOM 2669 C5 A 0 124 182.982 17.179 124.435 1.00737.35 C ATOM 2670 C6 A 0 124 184.038 17.347 123.523 1.00737.35 C ATOM 2671 N6 A 0 124 184.243 18.465 122.824 1.00737.35 N ATOM 2672 N1 A 0 124 184.889 16.311 123.350 1.00737.35 N ATOM 2673 C2 A 0 124 184.682 15.190 124.050 1.00737.35 C ATOM 2674 N3 A 0 124 183.728 14.912 124.935 1.00737.35 N ATOM 2675 C4 A 0 124 182.899 15.960 125.084 1.00737.35 C ATOM 2676 P A 0 125 180.489 16.844 131.162 1.00737.35 P ATOM 2677 O1P A 0 125 179.818 16.545 132.454 1.00737.35 O ATOM 2678 O2P A 0 125 180.309 18.178 130.536 1.00737.35 O ATOM 2679 O5* A 0 125 182.051 16.584 131.342 1.00737.35 O ATOM 2680 C5* A 0 125 182.533 15.362 131.900 1.00737.35 C ATOM 2681 C4* A 0 125 184.015 15.217 131.638 1.00737.35 C ATOM 2682 O4* A 0 125 184.239 15.196 130.203 1.00737.35 O ATOM 2683 C3* A 0 125 184.888 16.355 132.142 1.00737.35 C ATOM 2684 O3* A 0 125 185.252 16.160 133.507 1.00737.35 O ATOM 2685 C2* A 0 125 186.100 16.265 131.224 1.00737.35 C ATOM 2686 O2* A 0 125 187.023 15.270 131.614 1.00737.35 O ATOM 2687 C1* A 0 125 185.446 15.875 129.897 1.00737.35 C ATOM 2688 N9 A 0 125 185.121 17.021 129.044 1.00737.35 N ATOM 2689 C8 A 0 125 184.198 18.015 129.273 1.00737.35 C ATOM 2690 N7 A 0 125 184.139 18.912 128.320 1.00737.35 N ATOM 2691 C5 A 0 125 185.083 18.481 127.399 1.00737.35 C ATOM 2692 C6 A 0 125 185.500 19.001 126.161 1.00737.35 C ATOM 2693 N6 A 0 125 185.002 20.115 125.618 1.00737.35 N ATOM 2694 N1 A 0 125 186.462 18.330 125.489 1.00737.35 N ATOM 2695 C2 A 0 125 186.960 17.212 126.033 1.00737.35 C ATOM 2696 N3 A 0 125 186.653 16.626 127.188 1.00737.35 N ATOM 2697 C4 A 0 125 185.694 17.318 127.830 1.00737.35 C ATOM 2698 P C 0 126 185.268 17.413 134.518 1.00737.35 P ATOM 2699 O1P C 0 126 185.479 18.651 133.723 1.00737.35 O ATOM 2700 O2P C 0 126 186.202 17.092 135.629 1.00737.35 O ATOM 2701 O5* C 0 126 183.786 17.455 135.103 1.00737.35 O ATOM 2702 C5* C 0 126 183.376 16.557 136.133 1.00737.35 C ATOM 2703 C4* C 0 126 181.884 16.646 136.342 1.00737.35 C ATOM 2704 O4* C 0 126 181.205 16.314 135.100 1.00737.35 O ATOM 2705 C3* C 0 126 181.315 15.667 137.358 1.00737.35 C ATOM 2706 O3* C 0 126 181.416 16.193 138.678 1.00737.35 O ATOM 2707 C2* C 0 126 179.866 15.530 136.903 1.00737.35 C ATOM 2708 O2* C 0 126 179.044 16.595 137.336 1.00737.35 O ATOM 2709 C1* C 0 126 180.022 15.582 135.380 1.00737.35 C ATOM 2710 N1 C 0 126 180.130 14.252 134.744 1.00737.35 N ATOM 2711 C2 C 0 126 178.959 13.608 134.306 1.00737.35 C ATOM 2712 O2 C 0 126 177.861 14.171 134.470 1.00737.35 O ATOM 2713 N3 C 0 126 179.055 12.394 133.718 1.00737.35 N ATOM 2714 C4 C 0 126 180.248 11.819 133.563 1.00737.35 C ATOM 2715 N4 C 0 126 180.293 10.621 132.976 1.00737.35 N ATOM 2716 C5 C 0 126 181.451 12.446 134.002 1.00737.35 C ATOM 2717 C6 C 0 126 181.348 13.648 134.580 1.00737.35 C ATOM 2718 P C 0 127 181.525 15.189 139.932 1.00737.35 P ATOM 2719 O1P C 0 127 181.882 16.008 141.118 1.00737.35 O ATOM 2720 O2P C 0 127 182.384 14.040 139.550 1.00737.35 O ATOM 2721 O5* C 0 127 180.035 14.654 140.125 1.00737.35 O ATOM 2722 C5* C 0 127 179.008 15.506 140.632 1.00737.35 C ATOM 2723 C4* C 0 127 177.672 14.800 140.593 1.00737.35 C ATOM 2724 O4* C 0 127 177.310 14.532 139.213 1.00737.35 O ATOM 2725 C3* C 0 127 177.624 13.438 141.270 1.00737.35 C ATOM 2726 O3* C 0 127 177.399 13.570 142.670 1.00737.35 O ATOM 2727 C2* C 0 127 176.456 12.768 140.558 1.00737.35 C ATOM 2728 O2* C 0 127 175.196 13.166 141.061 1.00737.35 O ATOM 2729 C1* C 0 127 176.632 13.286 139.129 1.00737.35 C ATOM 2730 N1 C 0 127 177.412 12.381 138.260 1.00737.35 N ATOM 2731 C2 C 0 127 176.742 11.373 137.549 1.00737.35 C ATOM 2732 O2 C 0 127 175.509 11.265 137.666 1.00737.35 O ATOM 2733 N3 C 0 127 177.454 10.544 136.750 1.00737.35 N ATOM 2734 C4 C 0 127 178.778 10.686 136.650 1.00737.35 C ATOM 2735 N4 C 0 127 179.437 9.844 135.852 1.00737.35 N ATOM 2736 C5 C 0 127 179.484 11.698 137.362 1.00737.35 C ATOM 2737 C6 C 0 127 178.772 12.515 138.147 1.00737.35 C ATOM 2738 P C 0 128 177.997 12.471 143.680 1.00737.35 P ATOM 2739 O1P C 0 128 177.768 12.971 145.061 1.00737.35 O ATOM 2740 O2P C 0 128 179.377 12.126 143.247 1.00737.35 O ATOM 2741 O5* C 0 128 177.071 11.192 143.453 1.00737.35 O ATOM 2742 C5* C 0 128 175.690 11.214 143.817 1.00737.35 C ATOM 2743 C4* C 0 128 174.966 10.036 143.206 1.00737.35 C ATOM 2744 O4* C 0 128 175.046 10.127 141.757 1.00737.35 O ATOM 2745 C3* C 0 128 175.534 8.662 143.526 1.00737.35 C ATOM 2746 O3* C 0 128 175.052 8.177 144.777 1.00737.35 O ATOM 2747 C2* C 0 128 175.021 7.831 142.357 1.00737.35 C ATOM 2748 O2* C 0 128 173.671 7.436 142.502 1.00737.35 O ATOM 2749 C1* C 0 128 175.155 8.824 141.202 1.00737.35 C ATOM 2750 N1 C 0 128 176.446 8.711 140.490 1.00737.35 N ATOM 2751 C2 C 0 128 176.598 7.711 139.514 1.00737.35 C ATOM 2752 O2 C 0 128 175.647 6.948 139.273 1.00737.35 O ATOM 2753 N3 C 0 128 177.778 7.602 138.862 1.00737.35 N ATOM 2754 C4 C 0 128 178.782 8.434 139.150 1.00737.35 C ATOM 2755 N4 C 0 128 179.929 8.283 138.482 1.00737.35 N ATOM 2756 C5 C 0 128 178.654 9.455 140.134 1.00737.35 C ATOM 2757 C6 C 0 128 177.481 9.560 140.772 1.00737.35 C ATOM 2758 P A 0 129 176.044 7.374 145.761 1.00737.35 P ATOM 2759 O1P A 0 129 175.413 7.379 147.107 1.00737.35 O ATOM 2760 O2P A 0 129 177.421 7.909 145.598 1.00737.35 O ATOM 2761 O5* A 0 129 176.021 5.874 145.221 1.00737.35 O ATOM 2762 C5* A 0 129 176.493 5.554 143.912 1.00737.35 C ATOM 2763 C4* A 0 129 175.803 4.315 143.395 1.00737.35 C ATOM 2764 O4* A 0 129 176.082 4.158 141.981 1.00737.35 O ATOM 2765 C3* A 0 129 176.250 2.999 144.017 1.00737.35 C ATOM 2766 O3* A 0 129 175.568 2.753 145.244 1.00737.35 O ATOM 2767 C2* A 0 129 175.879 1.989 142.940 1.00737.35 C ATOM 2768 O2* A 0 129 174.511 1.625 142.965 1.00737.35 O ATOM 2769 C1* A 0 129 176.178 2.779 141.662 1.00737.35 C ATOM 2770 N9 A 0 129 177.510 2.523 141.109 1.00737.35 N ATOM 2771 C8 A 0 129 178.673 3.212 141.349 1.00737.35 C ATOM 2772 N7 A 0 129 179.711 2.742 140.696 1.00737.35 N ATOM 2773 C5 A 0 129 179.197 1.672 139.979 1.00737.35 C ATOM 2774 C6 A 0 129 179.789 0.759 139.091 1.00737.35 C ATOM 2775 N6 A 0 129 181.082 0.780 138.757 1.00737.35 N ATOM 2776 N1 A 0 129 178.998 -0.190 138.544 1.00737.35 N ATOM 2777 C2 A 0 129 177.699 -0.211 138.878 1.00737.35 C ATOM 2778 N3 A 0 129 177.028 0.591 139.700 1.00737.35 N ATOM 2779 C4 A 0 129 177.842 1.524 140.224 1.00737.35 C ATOM 2780 P C 0 130 176.225 1.778 146.342 1.00737.35 P ATOM 2781 O1P C 0 130 175.379 1.853 147.560 1.00737.35 O ATOM 2782 O2P C 0 130 177.676 2.086 146.440 1.00737.35 O ATOM 2783 O5* C 0 130 176.065 0.323 145.710 1.00737.35 O ATOM 2784 C5* C 0 130 174.776 -0.264 145.541 1.00737.35 C ATOM 2785 C4* C 0 130 174.879 -1.534 144.728 1.00737.35 C ATOM 2786 O4* C 0 130 175.368 -1.217 143.397 1.00737.35 O ATOM 2787 C3* C 0 130 175.851 -2.582 145.244 1.00737.35 C ATOM 2788 O3* C 0 130 175.255 -3.385 146.258 1.00737.35 O ATOM 2789 C2* C 0 130 176.157 -3.385 143.984 1.00737.35 C ATOM 2790 O2* C 0 130 175.155 -4.332 143.671 1.00737.35 O ATOM 2791 C1* C 0 130 176.178 -2.282 142.922 1.00737.35 C ATOM 2792 N1 C 0 130 177.533 -1.763 142.643 1.00737.35 N ATOM 2793 C2 C 0 130 178.308 -2.388 141.652 1.00737.35 C ATOM 2794 O2 C 0 130 177.834 -3.354 141.030 1.00737.35 O ATOM 2795 N3 C 0 130 179.553 -1.923 141.396 1.00737.35 N ATOM 2796 C4 C 0 130 180.033 -0.884 142.084 1.00737.35 C ATOM 2797 N4 C 0 130 181.266 -0.463 141.799 1.00737.35 N ATOM 2798 C5 C 0 130 179.268 -0.230 143.093 1.00737.35 C ATOM 2799 C6 C 0 130 178.037 -0.696 143.336 1.00737.35 C ATOM 2800 P C 0 131 176.187 -4.137 147.332 1.00737.35 P ATOM 2801 O1P C 0 131 175.287 -4.789 148.315 1.00737.35 O ATOM 2802 O2P C 0 131 177.224 -3.185 147.807 1.00737.35 O ATOM 2803 O5* C 0 131 176.911 -5.276 146.484 1.00737.35 O ATOM 2804 C5* C 0 131 176.170 -6.374 145.951 1.00737.35 C ATOM 2805 C4* C 0 131 177.054 -7.232 145.074 1.00737.35 C ATOM 2806 O4* C 0 131 177.495 -6.459 143.928 1.00737.35 O ATOM 2807 C3* C 0 131 178.343 -7.728 145.710 1.00737.35 C ATOM 2808 O3* C 0 131 178.120 -8.905 146.480 1.00737.35 O ATOM 2809 C2* C 0 131 179.215 -8.005 144.489 1.00737.35 C ATOM 2810 O2* C 0 131 178.933 -9.246 143.875 1.00737.35 O ATOM 2811 C1* C 0 131 178.807 -6.860 143.557 1.00737.35 C ATOM 2812 N1 C 0 131 179.706 -5.691 143.635 1.00737.35 N ATOM 2813 C2 C 0 131 180.861 -5.669 142.835 1.00737.35 C ATOM 2814 O2 C 0 131 181.094 -6.629 142.081 1.00737.35 O ATOM 2815 N3 C 0 131 181.690 -4.605 142.905 1.00737.35 N ATOM 2816 C4 C 0 131 181.410 -3.589 143.723 1.00737.35 C ATOM 2817 N4 C 0 131 182.264 -2.561 143.759 1.00737.35 N ATOM 2818 C5 C 0 131 180.248 -3.583 144.546 1.00737.35 C ATOM 2819 C6 C 0 131 179.429 -4.642 144.471 1.00737.35 C ATOM 2820 P U 0 132 179.107 -9.257 147.700 1.00737.35 P ATOM 2821 O1P U 0 132 178.566 -10.470 148.365 1.00737.35 O ATOM 2822 O2P U 0 132 179.335 -8.025 148.496 1.00737.35 O ATOM 2823 O5* U 0 132 180.478 -9.648 146.983 1.00737.35 O ATOM 2824 C5* U 0 132 180.597 -10.862 146.242 1.00737.35 C ATOM 2825 C4* U 0 132 181.984 -10.987 145.654 1.00737.35 C ATOM 2826 O4* U 0 132 182.195 -9.935 144.678 1.00737.35 O ATOM 2827 C3* U 0 132 183.139 -10.828 146.630 1.00737.35 C ATOM 2828 O3* U 0 132 183.409 -12.051 147.311 1.00737.35 O ATOM 2829 C2* U 0 132 184.284 -10.421 145.710 1.00737.35 C ATOM 2830 O2* U 0 132 184.883 -11.518 145.046 1.00737.35 O ATOM 2831 C1* U 0 132 183.558 -9.536 144.694 1.00737.35 C ATOM 2832 N1 U 0 132 183.628 -8.098 145.007 1.00737.35 N ATOM 2833 C2 U 0 132 184.721 -7.383 144.531 1.00737.35 C ATOM 2834 O2 U 0 132 185.613 -7.890 143.871 1.00737.35 O ATOM 2835 N3 U 0 132 184.727 -6.049 144.860 1.00737.35 N ATOM 2836 C4 U 0 132 183.781 -5.369 145.598 1.00737.35 C ATOM 2837 O4 U 0 132 183.929 -4.165 145.809 1.00737.35 O ATOM 2838 C5 U 0 132 182.687 -6.172 146.051 1.00737.35 C ATOM 2839 C6 U 0 132 182.647 -7.473 145.749 1.00737.35 C ATOM 2840 P C 0 133 184.112 -12.023 148.758 1.00737.35 P ATOM 2841 O1P C 0 133 184.043 -13.401 149.307 1.00737.35 O ATOM 2842 O2P C 0 133 183.543 -10.893 149.538 1.00737.35 O ATOM 2843 O5* C 0 133 185.637 -11.685 148.436 1.00737.35 O ATOM 2844 C5* C 0 133 186.493 -12.659 147.841 1.00737.35 C ATOM 2845 C4* C 0 133 187.870 -12.080 147.608 1.00737.35 C ATOM 2846 O4* C 0 133 187.783 -11.009 146.629 1.00737.35 O ATOM 2847 C3* C 0 133 188.535 -11.432 148.811 1.00737.35 C ATOM 2848 O3* C 0 133 189.185 -12.405 149.623 1.00737.35 O ATOM 2849 C2* C 0 133 189.533 -10.485 148.157 1.00737.35 C ATOM 2850 O2* C 0 133 190.723 -11.130 147.744 1.00737.35 O ATOM 2851 C1* C 0 133 188.749 -10.014 146.929 1.00737.35 C ATOM 2852 N1 C 0 133 188.059 -8.722 147.130 1.00737.35 N ATOM 2853 C2 C 0 133 188.756 -7.532 146.862 1.00737.35 C ATOM 2854 O2 C 0 133 189.929 -7.596 146.459 1.00737.35 O ATOM 2855 N3 C 0 133 188.133 -6.347 147.049 1.00737.35 N ATOM 2856 C4 C 0 133 186.870 -6.314 147.482 1.00737.35 C ATOM 2857 N4 C 0 133 186.297 -5.120 147.653 1.00737.35 N ATOM 2858 C5 C 0 133 186.139 -7.506 147.760 1.00737.35 C ATOM 2859 C6 C 0 133 186.764 -8.675 147.572 1.00737.35 C ATOM 2860 P G 0 134 189.152 -12.260 151.224 1.00737.35 P ATOM 2861 O1P G 0 134 190.022 -13.325 151.783 1.00737.35 O ATOM 2862 O2P G 0 134 187.732 -12.172 151.657 1.00737.35 O ATOM 2863 O5* G 0 134 189.846 -10.851 151.501 1.00737.35 O ATOM 2864 C5* G 0 134 191.223 -10.638 151.201 1.00737.35 C ATOM 2865 C4* G 0 134 191.565 -9.170 151.311 1.00737.35 C ATOM 2866 O4* G 0 134 190.795 -8.426 150.331 1.00737.35 O ATOM 2867 C3* G 0 134 191.225 -8.509 152.639 1.00737.35 C ATOM 2868 O3* G 0 134 192.262 -8.713 153.598 1.00737.35 O ATOM 2869 C2* G 0 134 191.094 -7.044 152.243 1.00737.35 C ATOM 2870 O2* G 0 134 192.338 -6.385 152.124 1.00737.35 O ATOM 2871 C1* G 0 134 190.434 -7.161 150.867 1.00737.35 C ATOM 2872 N9 G 0 134 188.975 -7.075 150.916 1.00737.35 N ATOM 2873 C8 G 0 134 188.078 -8.116 150.890 1.00737.35 C ATOM 2874 N7 G 0 134 186.835 -7.726 150.954 1.00737.35 N ATOM 2875 C5 G 0 134 186.913 -6.341 151.027 1.00737.35 C ATOM 2876 C6 G 0 134 185.885 -5.367 151.115 1.00737.35 C ATOM 2877 O6 G 0 134 184.660 -5.538 151.147 1.00737.35 O ATOM 2878 N1 G 0 134 186.408 -4.079 151.168 1.00737.35 N ATOM 2879 C2 G 0 134 187.744 -3.766 151.140 1.00737.35 C ATOM 2880 N2 G 0 134 188.046 -2.461 151.204 1.00737.35 N ATOM 2881 N3 G 0 134 188.711 -4.663 151.058 1.00737.35 N ATOM 2882 C4 G 0 134 188.227 -5.923 151.004 1.00737.35 C ATOM 2883 P U 0 135 191.888 -8.923 155.150 1.00737.35 P ATOM 2884 O1P U 0 135 192.767 -10.003 155.664 1.00737.35 O ATOM 2885 O2P U 0 135 190.414 -9.052 155.288 1.00737.35 O ATOM 2886 O5* U 0 135 192.332 -7.562 155.851 1.00737.35 O ATOM 2887 C5* U 0 135 191.985 -6.297 155.290 1.00737.35 C ATOM 2888 C4* U 0 135 191.990 -5.231 156.357 1.00737.35 C ATOM 2889 O4* U 0 135 193.279 -5.218 157.024 1.00737.35 O ATOM 2890 C3* U 0 135 191.814 -3.808 155.852 1.00737.35 C ATOM 2891 O3* U 0 135 190.436 -3.492 155.681 1.00737.35 O ATOM 2892 C2* U 0 135 192.457 -2.987 156.964 1.00737.35 C ATOM 2893 O2* U 0 135 191.603 -2.791 158.075 1.00737.35 O ATOM 2894 C1* U 0 135 193.631 -3.886 157.364 1.00737.35 C ATOM 2895 N1 U 0 135 194.894 -3.543 156.690 1.00737.35 N ATOM 2896 C2 U 0 135 195.714 -2.598 157.289 1.00737.35 C ATOM 2897 O2 U 0 135 195.435 -2.043 158.339 1.00737.35 O ATOM 2898 N3 U 0 135 196.876 -2.326 156.608 1.00737.35 N ATOM 2899 C4 U 0 135 197.294 -2.885 155.419 1.00737.35 C ATOM 2900 O4 U 0 135 198.371 -2.535 154.932 1.00737.35 O ATOM 2901 C5 U 0 135 196.398 -3.849 154.862 1.00737.35 C ATOM 2902 C6 U 0 135 195.259 -4.138 155.498 1.00737.35 C ATOM 2903 P A 0 136 189.970 -2.592 154.431 1.00737.35 P ATOM 2904 O1P A 0 136 188.485 -2.622 154.395 1.00737.35 O ATOM 2905 O2P A 0 136 190.740 -3.014 153.233 1.00737.35 O ATOM 2906 O5* A 0 136 190.434 -1.119 154.825 1.00737.35 O ATOM 2907 C5* A 0 136 189.666 -0.321 155.725 1.00737.35 C ATOM 2908 C4* A 0 136 190.282 1.052 155.871 1.00737.35 C ATOM 2909 O4* A 0 136 191.589 0.929 156.494 1.00737.35 O ATOM 2910 C3* A 0 136 190.555 1.796 154.574 1.00737.35 C ATOM 2911 O3* A 0 136 189.392 2.487 154.123 1.00737.35 O ATOM 2912 C2* A 0 136 191.657 2.767 154.985 1.00737.35 C ATOM 2913 O2* A 0 136 191.168 3.923 155.636 1.00737.35 O ATOM 2914 C1* A 0 136 192.459 1.917 155.973 1.00737.35 C ATOM 2915 N9 A 0 136 193.613 1.248 155.368 1.00737.35 N ATOM 2916 C8 A 0 136 193.641 0.059 154.679 1.00737.35 C ATOM 2917 N7 A 0 136 194.832 -0.278 154.253 1.00737.35 N ATOM 2918 C5 A 0 136 195.648 0.758 154.689 1.00737.35 C ATOM 2919 C6 A 0 136 197.028 0.995 154.557 1.00737.35 C ATOM 2920 N6 A 0 136 197.862 0.171 153.920 1.00737.35 N ATOM 2921 N1 A 0 136 197.525 2.123 155.108 1.00737.35 N ATOM 2922 C2 A 0 136 196.688 2.949 155.745 1.00737.35 C ATOM 2923 N3 A 0 136 195.376 2.836 155.935 1.00737.35 N ATOM 2924 C4 A 0 136 194.911 1.705 155.377 1.00737.35 C ATOM 2925 P A 0 137 188.927 2.350 152.590 1.00737.35 P ATOM 2926 O1P A 0 137 187.919 3.413 152.340 1.00737.35 O ATOM 2927 O2P A 0 137 188.572 0.931 152.335 1.00737.35 O ATOM 2928 O5* A 0 137 190.235 2.698 151.748 1.00737.35 O ATOM 2929 C5* A 0 137 190.872 3.968 151.863 1.00737.35 C ATOM 2930 C4* A 0 137 192.245 3.923 151.232 1.00737.35 C ATOM 2931 O4* A 0 137 193.050 2.927 151.920 1.00737.35 O ATOM 2932 C3* A 0 137 192.287 3.503 149.771 1.00737.35 C ATOM 2933 O3* A 0 137 192.066 4.617 148.913 1.00737.35 O ATOM 2934 C2* A 0 137 193.704 2.958 149.634 1.00737.35 C ATOM 2935 O2* A 0 137 194.674 3.972 149.459 1.00737.35 O ATOM 2936 C1* A 0 137 193.902 2.278 150.990 1.00737.35 C ATOM 2937 N9 A 0 137 193.574 0.850 150.976 1.00737.35 N ATOM 2938 C8 A 0 137 192.364 0.255 151.249 1.00737.35 C ATOM 2939 N7 A 0 137 192.385 -1.050 151.150 1.00737.35 N ATOM 2940 C5 A 0 137 193.693 -1.339 150.787 1.00737.35 C ATOM 2941 C6 A 0 137 194.357 -2.549 150.527 1.00737.35 C ATOM 2942 N6 A 0 137 193.769 -3.747 150.593 1.00737.35 N ATOM 2943 N1 A 0 137 195.664 -2.490 150.189 1.00737.35 N ATOM 2944 C2 A 0 137 196.253 -1.290 150.122 1.00737.35 C ATOM 2945 N3 A 0 137 195.738 -0.083 150.344 1.00737.35 N ATOM 2946 C4 A 0 137 194.438 -0.176 150.678 1.00737.35 C ATOM 2947 P G 0 138 191.148 4.450 147.602 1.00737.35 P ATOM 2948 O1P G 0 138 191.273 5.703 146.813 1.00737.35 O ATOM 2949 O2P G 0 138 189.804 3.984 148.027 1.00737.35 O ATOM 2950 O5* G 0 138 191.844 3.277 146.778 1.00737.35 O ATOM 2951 C5* G 0 138 193.214 3.362 146.389 1.00737.35 C ATOM 2952 C4* G 0 138 193.709 2.014 145.914 1.00737.35 C ATOM 2953 O4* G 0 138 193.537 1.043 146.978 1.00737.35 O ATOM 2954 C3* G 0 138 192.962 1.416 144.730 1.00737.35 C ATOM 2955 O3* G 0 138 193.477 1.910 143.497 1.00737.35 O ATOM 2956 C2* G 0 138 193.225 -0.075 144.905 1.00737.35 C ATOM 2957 O2* G 0 138 194.499 -0.474 144.440 1.00737.35 O ATOM 2958 C1* G 0 138 193.163 -0.212 146.428 1.00737.35 C ATOM 2959 N9 G 0 138 191.830 -0.556 146.919 1.00737.35 N ATOM 2960 C8 G 0 138 190.860 0.308 147.368 1.00737.35 C ATOM 2961 N7 G 0 138 189.765 -0.296 147.738 1.00737.35 N ATOM 2962 C5 G 0 138 190.026 -1.642 147.523 1.00737.35 C ATOM 2963 C6 G 0 138 189.207 -2.782 147.738 1.00737.35 C ATOM 2964 O6 G 0 138 188.051 -2.832 148.176 1.00737.35 O ATOM 2965 N1 G 0 138 189.866 -3.956 147.386 1.00737.35 N ATOM 2966 C2 G 0 138 191.142 -4.029 146.891 1.00737.35 C ATOM 2967 N2 G 0 138 191.602 -5.257 146.610 1.00737.35 N ATOM 2968 N3 G 0 138 191.916 -2.973 146.685 1.00737.35 N ATOM 2969 C4 G 0 138 191.298 -1.822 147.020 1.00737.35 C ATOM 2970 P A 0 139 192.557 1.882 142.178 1.00737.35 P ATOM 2971 O1P A 0 139 193.318 2.560 141.097 1.00737.35 O ATOM 2972 O2P A 0 139 191.201 2.374 142.535 1.00737.35 O ATOM 2973 O5* A 0 139 192.445 0.335 141.815 1.00737.35 O ATOM 2974 C5* A 0 139 193.603 -0.422 141.467 1.00737.35 C ATOM 2975 C4* A 0 139 193.256 -1.886 141.328 1.00737.35 C ATOM 2976 O4* A 0 139 192.764 -2.387 142.600 1.00737.35 O ATOM 2977 C3* A 0 139 192.147 -2.213 140.342 1.00737.35 C ATOM 2978 O3* A 0 139 192.654 -2.310 139.015 1.00737.35 O ATOM 2979 C2* A 0 139 191.642 -3.556 140.861 1.00737.35 C ATOM 2980 O2* A 0 139 192.447 -4.646 140.459 1.00737.35 O ATOM 2981 C1* A 0 139 191.753 -3.357 142.373 1.00737.35 C ATOM 2982 N9 A 0 139 190.512 -2.888 142.991 1.00737.35 N ATOM 2983 C8 A 0 139 190.133 -1.594 143.259 1.00737.35 C ATOM 2984 N7 A 0 139 188.953 -1.493 143.821 1.00737.35 N ATOM 2985 C5 A 0 139 188.525 -2.808 143.934 1.00737.35 C ATOM 2986 C6 A 0 139 187.346 -3.380 144.448 1.00737.35 C ATOM 2987 N6 A 0 139 186.345 -2.667 144.969 1.00737.35 N ATOM 2988 N1 A 0 139 187.231 -4.724 144.410 1.00737.35 N ATOM 2989 C2 A 0 139 188.237 -5.438 143.889 1.00737.35 C ATOM 2990 N3 A 0 139 189.391 -5.018 143.375 1.00737.35 N ATOM 2991 C4 A 0 139 189.474 -3.678 143.427 1.00737.35 C ATOM 2992 P G 0 140 191.669 -2.093 137.762 1.00737.35 P ATOM 2993 O1P G 0 140 192.507 -2.094 136.537 1.00737.35 O ATOM 2994 O2P G 0 140 190.790 -0.928 138.046 1.00737.35 O ATOM 2995 O5* G 0 140 190.766 -3.406 137.751 1.00737.35 O ATOM 2996 C5* G 0 140 191.330 -4.681 137.446 1.00737.35 C ATOM 2997 C4* G 0 140 190.303 -5.772 137.641 1.00737.35 C ATOM 2998 O4* G 0 140 189.919 -5.828 139.041 1.00737.35 O ATOM 2999 C3* G 0 140 188.989 -5.592 136.898 1.00737.35 C ATOM 3000 O3* G 0 140 189.090 -6.063 135.557 1.00737.35 O ATOM 3001 C2* G 0 140 188.030 -6.435 137.729 1.00737.35 C ATOM 3002 O2* G 0 140 188.106 -7.818 137.432 1.00737.35 O ATOM 3003 C1* G 0 140 188.548 -6.178 139.146 1.00737.35 C ATOM 3004 N9 G 0 140 187.843 -5.102 139.838 1.00737.35 N ATOM 3005 C8 G 0 140 188.254 -3.799 139.990 1.00737.35 C ATOM 3006 N7 G 0 140 187.406 -3.067 140.662 1.00737.35 N ATOM 3007 C5 G 0 140 186.371 -3.940 140.972 1.00737.35 C ATOM 3008 C6 G 0 140 185.168 -3.718 141.691 1.00737.35 C ATOM 3009 O6 G 0 140 184.763 -2.673 142.213 1.00737.35 O ATOM 3010 N1 G 0 140 184.401 -4.875 141.773 1.00737.35 N ATOM 3011 C2 G 0 140 184.745 -6.091 141.234 1.00737.35 C ATOM 3012 N2 G 0 140 183.868 -7.088 141.417 1.00737.35 N ATOM 3013 N3 G 0 140 185.864 -6.311 140.564 1.00737.35 N ATOM 3014 C4 G 0 140 186.624 -5.199 140.471 1.00737.35 C ATOM 3015 P G 0 141 188.109 -5.477 134.427 1.00737.35 P ATOM 3016 O1P G 0 141 188.541 -6.052 133.127 1.00737.35 O ATOM 3017 O2P G 0 141 188.034 -4.002 134.585 1.00737.35 O ATOM 3018 O5* G 0 141 186.685 -6.090 134.796 1.00737.35 O ATOM 3019 C5* G 0 141 186.427 -7.486 134.643 1.00737.35 C ATOM 3020 C4* G 0 141 185.034 -7.819 135.127 1.00737.35 C ATOM 3021 O4* G 0 141 184.943 -7.559 136.553 1.00737.35 O ATOM 3022 C3* G 0 141 183.905 -7.000 134.522 1.00737.35 C ATOM 3023 O3* G 0 141 183.494 -7.548 133.272 1.00737.35 O ATOM 3024 C2* G 0 141 182.815 -7.116 135.580 1.00737.35 C ATOM 3025 O2* G 0 141 182.083 -8.322 135.496 1.00737.35 O ATOM 3026 C1* G 0 141 183.639 -7.099 136.871 1.00737.35 C ATOM 3027 N9 G 0 141 183.747 -5.777 137.485 1.00737.35 N ATOM 3028 C8 G 0 141 184.805 -4.901 137.394 1.00737.35 C ATOM 3029 N7 G 0 141 184.612 -3.793 138.057 1.00737.35 N ATOM 3030 C5 G 0 141 183.350 -3.946 138.621 1.00737.35 C ATOM 3031 C6 G 0 141 182.604 -3.069 139.450 1.00737.35 C ATOM 3032 O6 G 0 141 182.914 -1.945 139.869 1.00737.35 O ATOM 3033 N1 G 0 141 181.372 -3.618 139.793 1.00737.35 N ATOM 3034 C2 G 0 141 180.915 -4.850 139.394 1.00737.35 C ATOM 3035 N2 G 0 141 179.696 -5.200 139.829 1.00737.35 N ATOM 3036 N3 G 0 141 181.603 -5.676 138.623 1.00737.35 N ATOM 3037 C4 G 0 141 182.803 -5.162 138.276 1.00737.35 C ATOM 3038 P U 0 142 182.789 -6.602 132.179 1.00737.35 P ATOM 3039 O1P U 0 142 182.611 -7.412 130.945 1.00737.35 O ATOM 3040 O2P U 0 142 183.538 -5.321 132.108 1.00737.35 O ATOM 3041 O5* U 0 142 181.350 -6.303 132.795 1.00737.35 O ATOM 3042 C5* U 0 142 180.355 -7.323 132.865 1.00737.35 C ATOM 3043 C4* U 0 142 179.098 -6.788 133.512 1.00737.35 C ATOM 3044 O4* U 0 142 179.384 -6.426 134.890 1.00737.35 O ATOM 3045 C3* U 0 142 178.531 -5.518 132.899 1.00737.35 C ATOM 3046 O3* U 0 142 177.701 -5.805 131.779 1.00737.35 O ATOM 3047 C2* U 0 142 177.734 -4.927 134.057 1.00737.35 C ATOM 3048 O2* U 0 142 176.460 -5.520 134.213 1.00737.35 O ATOM 3049 C1* U 0 142 178.625 -5.282 135.252 1.00737.35 C ATOM 3050 N1 U 0 142 179.549 -4.203 135.636 1.00737.35 N ATOM 3051 C2 U 0 142 179.101 -3.261 136.554 1.00737.35 C ATOM 3052 O2 U 0 142 177.985 -3.291 137.052 1.00737.35 O ATOM 3053 N3 U 0 142 180.009 -2.280 136.867 1.00737.35 N ATOM 3054 C4 U 0 142 181.289 -2.142 136.374 1.00737.35 C ATOM 3055 O4 U 0 142 181.986 -1.200 136.754 1.00737.35 O ATOM 3056 C5 U 0 142 181.679 -3.150 135.435 1.00737.35 C ATOM 3057 C6 U 0 142 180.820 -4.120 135.108 1.00737.35 C ATOM 3058 P A 0 143 177.865 -4.948 130.429 1.00737.35 P ATOM 3059 O1P A 0 143 178.978 -5.551 129.653 1.00737.35 O ATOM 3060 O2P A 0 143 177.924 -3.510 130.801 1.00737.35 O ATOM 3061 O5* A 0 143 176.510 -5.207 129.632 1.00737.35 O ATOM 3062 C5* A 0 143 175.284 -4.618 130.062 1.00737.35 C ATOM 3063 C4* A 0 143 174.462 -4.182 128.871 1.00737.35 C ATOM 3064 O4* A 0 143 175.242 -3.252 128.071 1.00737.35 O ATOM 3065 C3* A 0 143 174.073 -5.275 127.887 1.00737.35 C ATOM 3066 O3* A 0 143 172.900 -5.963 128.311 1.00737.35 O ATOM 3067 C2* A 0 143 173.829 -4.481 126.612 1.00737.35 C ATOM 3068 O2* A 0 143 172.569 -3.838 126.587 1.00737.35 O ATOM 3069 C1* A 0 143 174.942 -3.435 126.694 1.00737.35 C ATOM 3070 N9 A 0 143 176.161 -3.859 126.002 1.00737.35 N ATOM 3071 C8 A 0 143 177.216 -4.584 126.503 1.00737.35 C ATOM 3072 N7 A 0 143 178.161 -4.819 125.626 1.00737.35 N ATOM 3073 C5 A 0 143 177.702 -4.207 124.467 1.00737.35 C ATOM 3074 C6 A 0 143 178.246 -4.094 123.176 1.00737.35 C ATOM 3075 N6 A 0 143 179.420 -4.618 122.820 1.00737.35 N ATOM 3076 N1 A 0 143 177.533 -3.416 122.251 1.00737.35 N ATOM 3077 C2 A 0 143 176.356 -2.889 122.609 1.00737.35 C ATOM 3078 N3 A 0 143 175.740 -2.927 123.787 1.00737.35 N ATOM 3079 C4 A 0 143 176.472 -3.609 124.687 1.00737.35 C ATOM 3080 P U 0 144 172.636 -7.470 127.812 1.00737.35 P ATOM 3081 O1P U 0 144 171.321 -7.893 128.362 1.00737.35 O ATOM 3082 O2P U 0 144 173.846 -8.281 128.103 1.00737.35 O ATOM 3083 O5* U 0 144 172.494 -7.333 126.229 1.00737.35 O ATOM 3084 C5* U 0 144 171.423 -6.590 125.650 1.00737.35 C ATOM 3085 C4* U 0 144 171.636 -6.432 124.160 1.00737.35 C ATOM 3086 O4* U 0 144 172.858 -5.683 123.922 1.00737.35 O ATOM 3087 C3* U 0 144 171.828 -7.716 123.373 1.00737.35 C ATOM 3088 O3* U 0 144 170.576 -8.309 123.043 1.00737.35 O ATOM 3089 C2* U 0 144 172.569 -7.224 122.134 1.00737.35 C ATOM 3090 O2* U 0 144 171.712 -6.651 121.167 1.00737.35 O ATOM 3091 C1* U 0 144 173.474 -6.145 122.728 1.00737.35 C ATOM 3092 N1 U 0 144 174.831 -6.625 123.048 1.00737.35 N ATOM 3093 C2 U 0 144 175.777 -6.616 122.031 1.00737.35 C ATOM 3094 O2 U 0 144 175.537 -6.226 120.898 1.00737.35 O ATOM 3095 N3 U 0 144 177.020 -7.080 122.391 1.00737.35 N ATOM 3096 C4 U 0 144 177.407 -7.543 123.634 1.00737.35 C ATOM 3097 O4 U 0 144 178.564 -7.924 123.804 1.00737.35 O ATOM 3098 C5 U 0 144 176.377 -7.521 124.627 1.00737.35 C ATOM 3099 C6 U 0 144 175.156 -7.076 124.310 1.00737.35 C ATOM 3100 P C 0 145 170.499 -9.883 122.715 1.00737.35 P ATOM 3101 O1P C 0 145 169.069 -10.217 122.498 1.00737.35 O ATOM 3102 O2P C 0 145 171.274 -10.618 123.748 1.00737.35 O ATOM 3103 O5* C 0 145 171.265 -10.021 121.325 1.00737.35 O ATOM 3104 C5* C 0 145 170.713 -9.477 120.127 1.00737.35 C ATOM 3105 C4* C 0 145 171.638 -9.726 118.958 1.00737.35 C ATOM 3106 O4* C 0 145 172.874 -8.988 119.150 1.00737.35 O ATOM 3107 C3* C 0 145 172.087 -11.165 118.766 1.00737.35 C ATOM 3108 O3* C 0 145 171.113 -11.911 118.045 1.00737.35 O ATOM 3109 C2* C 0 145 173.382 -10.998 117.980 1.00737.35 C ATOM 3110 O2* C 0 145 173.171 -10.795 116.596 1.00737.35 O ATOM 3111 C1* C 0 145 173.959 -9.726 118.608 1.00737.35 C ATOM 3112 N1 C 0 145 174.945 -9.978 119.679 1.00737.35 N ATOM 3113 C2 C 0 145 176.294 -10.169 119.333 1.00737.35 C ATOM 3114 O2 C 0 145 176.626 -10.122 118.135 1.00737.35 O ATOM 3115 N3 C 0 145 177.200 -10.401 120.311 1.00737.35 N ATOM 3116 C4 C 0 145 176.809 -10.444 121.586 1.00737.35 C ATOM 3117 N4 C 0 145 177.740 -10.674 122.515 1.00737.35 N ATOM 3118 C5 C 0 145 175.450 -10.258 121.968 1.00737.35 C ATOM 3119 C6 C 0 145 174.560 -10.030 120.992 1.00737.35 C ATOM 3120 P C 0 146 170.909 -13.473 118.358 1.00737.35 P ATOM 3121 O1P C 0 146 169.634 -13.884 117.715 1.00737.35 O ATOM 3122 O2P C 0 146 171.096 -13.695 119.815 1.00737.35 O ATOM 3123 O5* C 0 146 172.114 -14.181 117.591 1.00737.35 O ATOM 3124 C5* C 0 146 172.032 -14.458 116.193 1.00737.35 C ATOM 3125 C4* C 0 146 173.239 -15.250 115.742 1.00737.35 C ATOM 3126 O4* C 0 146 174.428 -14.424 115.844 1.00737.35 O ATOM 3127 C3* C 0 146 173.566 -16.484 116.569 1.00737.35 C ATOM 3128 O3* C 0 146 172.785 -17.600 116.150 1.00737.35 O ATOM 3129 C2* C 0 146 175.050 -16.679 116.281 1.00737.35 C ATOM 3130 O2* C 0 146 175.297 -17.334 115.051 1.00737.35 O ATOM 3131 C1* C 0 146 175.540 -15.231 116.200 1.00737.35 C ATOM 3132 N1 C 0 146 176.105 -14.723 117.468 1.00737.35 N ATOM 3133 C2 C 0 146 177.482 -14.884 117.712 1.00737.35 C ATOM 3134 O2 C 0 146 178.190 -15.443 116.856 1.00737.35 O ATOM 3135 N3 C 0 146 178.002 -14.425 118.873 1.00737.35 N ATOM 3136 C4 C 0 146 177.213 -13.829 119.771 1.00737.35 C ATOM 3137 N4 C 0 146 177.774 -13.394 120.902 1.00737.35 N ATOM 3138 C5 C 0 146 175.817 -13.651 119.550 1.00737.35 C ATOM 3139 C6 C 0 146 175.309 -14.108 118.398 1.00737.35 C ATOM 3140 P G 0 147 172.168 -18.599 117.251 1.00737.35 P ATOM 3141 O1P G 0 147 171.270 -19.540 116.533 1.00737.35 O ATOM 3142 O2P G 0 147 171.633 -17.791 118.377 1.00737.35 O ATOM 3143 O5* G 0 147 173.429 -19.416 117.780 1.00737.35 O ATOM 3144 C5* G 0 147 174.066 -20.395 116.961 1.00737.35 C ATOM 3145 C4* G 0 147 175.395 -20.800 117.556 1.00737.35 C ATOM 3146 O4* G 0 147 176.272 -19.641 117.603 1.00737.35 O ATOM 3147 C3* G 0 147 175.361 -21.294 118.994 1.00737.35 C ATOM 3148 O3* G 0 147 175.015 -22.675 119.074 1.00737.35 O ATOM 3149 C2* G 0 147 176.791 -21.039 119.453 1.00737.35 C ATOM 3150 O2* G 0 147 177.703 -22.028 119.013 1.00737.35 O ATOM 3151 C1* G 0 147 177.092 -19.708 118.760 1.00737.35 C ATOM 3152 N9 G 0 147 176.802 -18.554 119.610 1.00737.35 N ATOM 3153 C8 G 0 147 175.739 -17.687 119.504 1.00737.35 C ATOM 3154 N7 G 0 147 175.744 -16.757 120.418 1.00737.35 N ATOM 3155 C5 G 0 147 176.879 -17.020 121.175 1.00737.35 C ATOM 3156 C6 G 0 147 177.404 -16.348 122.308 1.00737.35 C ATOM 3157 O6 G 0 147 176.957 -15.351 122.890 1.00737.35 O ATOM 3158 N1 G 0 147 178.572 -16.951 122.761 1.00737.35 N ATOM 3159 C2 G 0 147 179.162 -18.057 122.201 1.00737.35 C ATOM 3160 N2 G 0 147 180.288 -18.487 122.785 1.00737.35 N ATOM 3161 N3 G 0 147 178.681 -18.694 121.146 1.00737.35 N ATOM 3162 C4 G 0 147 177.544 -18.124 120.687 1.00737.35 C ATOM 3163 P C 0 148 174.609 -23.315 120.494 1.00737.35 P ATOM 3164 O1P C 0 148 174.449 -24.776 120.293 1.00737.35 O ATOM 3165 O2P C 0 148 173.489 -22.523 121.064 1.00737.35 O ATOM 3166 O5* C 0 148 175.907 -23.079 121.389 1.00737.35 O ATOM 3167 C5* C 0 148 175.850 -23.139 122.812 1.00737.35 C ATOM 3168 C4* C 0 148 176.877 -22.200 123.405 1.00737.35 C ATOM 3169 O4* C 0 148 176.568 -20.841 123.001 1.00737.35 O ATOM 3170 C3* C 0 148 176.934 -22.140 124.923 1.00737.35 C ATOM 3171 O3* C 0 148 177.749 -23.197 125.430 1.00737.35 O ATOM 3172 C2* C 0 148 177.547 -20.764 125.166 1.00737.35 C ATOM 3173 O2* C 0 148 178.953 -20.746 125.017 1.00737.35 O ATOM 3174 C1* C 0 148 176.903 -19.942 124.047 1.00737.35 C ATOM 3175 N1 C 0 148 175.679 -19.224 124.467 1.00737.35 N ATOM 3176 C2 C 0 148 175.808 -17.964 125.079 1.00737.35 C ATOM 3177 O2 C 0 148 176.942 -17.486 125.251 1.00737.35 O ATOM 3178 N3 C 0 148 174.693 -17.302 125.466 1.00737.35 N ATOM 3179 C4 C 0 148 173.490 -17.846 125.268 1.00737.35 C ATOM 3180 N4 C 0 148 172.419 -17.156 125.665 1.00737.35 N ATOM 3181 C5 C 0 148 173.330 -19.122 124.651 1.00737.35 C ATOM 3182 C6 C 0 148 174.440 -19.768 124.271 1.00737.35 C ATOM 3183 P A 0 149 178.048 -23.305 127.007 1.00737.35 P ATOM 3184 O1P A 0 149 178.321 -24.734 127.300 1.00737.35 O ATOM 3185 O2P A 0 149 176.977 -22.595 127.757 1.00737.35 O ATOM 3186 O5* A 0 149 179.405 -22.491 127.185 1.00737.35 O ATOM 3187 C5* A 0 149 180.214 -22.650 128.351 1.00737.35 C ATOM 3188 C4* A 0 149 181.657 -22.868 127.959 1.00737.35 C ATOM 3189 O4* A 0 149 181.751 -24.080 127.162 1.00737.35 O ATOM 3190 C3* A 0 149 182.277 -21.790 127.083 1.00737.35 C ATOM 3191 O3* A 0 149 182.786 -20.718 127.872 1.00737.35 O ATOM 3192 C2* A 0 149 183.390 -22.552 126.372 1.00737.35 C ATOM 3193 O2* A 0 149 184.548 -22.715 127.167 1.00737.35 O ATOM 3194 C1* A 0 149 182.725 -23.909 126.145 1.00737.35 C ATOM 3195 N9 A 0 149 182.059 -24.017 124.843 1.00737.35 N ATOM 3196 C8 A 0 149 180.742 -23.761 124.543 1.00737.35 C ATOM 3197 N7 A 0 149 180.442 -23.946 123.282 1.00737.35 N ATOM 3198 C5 A 0 149 181.638 -24.355 122.710 1.00737.35 C ATOM 3199 C6 A 0 149 181.987 -24.709 121.393 1.00737.35 C ATOM 3200 N6 A 0 149 181.123 -24.709 120.375 1.00737.35 N ATOM 3201 N1 A 0 149 183.265 -25.068 121.158 1.00737.35 N ATOM 3202 C2 A 0 149 184.130 -25.068 122.181 1.00737.35 C ATOM 3203 N3 A 0 149 183.925 -24.756 123.458 1.00737.35 N ATOM 3204 C4 A 0 149 182.643 -24.405 123.660 1.00737.35 C ATOM 3205 P A 0 150 182.952 -19.254 127.223 1.00737.35 P ATOM 3206 O1P A 0 150 183.413 -18.344 128.304 1.00737.35 O ATOM 3207 O2P A 0 150 181.713 -18.928 126.471 1.00737.35 O ATOM 3208 O5* A 0 150 184.141 -19.424 126.176 1.00737.35 O ATOM 3209 C5* A 0 150 185.446 -19.813 126.602 1.00737.35 C ATOM 3210 C4* A 0 150 186.363 -19.982 125.411 1.00737.35 C ATOM 3211 O4* A 0 150 185.827 -21.011 124.538 1.00737.35 O ATOM 3212 C3* A 0 150 186.513 -18.765 124.510 1.00737.35 C ATOM 3213 O3* A 0 150 187.516 -17.885 125.013 1.00737.35 O ATOM 3214 C2* A 0 150 186.936 -19.396 123.188 1.00737.35 C ATOM 3215 O2* A 0 150 188.314 -19.710 123.136 1.00737.35 O ATOM 3216 C1* A 0 150 186.112 -20.686 123.187 1.00737.35 C ATOM 3217 N9 A 0 150 184.848 -20.571 122.457 1.00737.35 N ATOM 3218 C8 A 0 150 183.620 -20.192 122.942 1.00737.35 C ATOM 3219 N7 A 0 150 182.673 -20.184 122.035 1.00737.35 N ATOM 3220 C5 A 0 150 183.321 -20.580 120.874 1.00737.35 C ATOM 3221 C6 A 0 150 182.867 -20.772 119.557 1.00737.35 C ATOM 3222 N6 A 0 150 181.605 -20.576 119.170 1.00737.35 N ATOM 3223 N1 A 0 150 183.769 -21.172 118.633 1.00737.35 N ATOM 3224 C2 A 0 150 185.037 -21.368 119.020 1.00737.35 C ATOM 3225 N3 A 0 150 185.582 -21.224 120.225 1.00737.35 N ATOM 3226 C4 A 0 150 184.661 -20.823 121.119 1.00737.35 C ATOM 3227 P G 0 151 187.312 -16.293 124.905 1.00737.35 P ATOM 3228 O1P G 0 151 188.558 -15.653 125.395 1.00737.35 O ATOM 3229 O2P G 0 151 186.011 -15.942 125.532 1.00737.35 O ATOM 3230 O5* G 0 151 187.196 -16.016 123.338 1.00737.35 O ATOM 3231 C5* G 0 151 188.213 -16.451 122.437 1.00737.35 C ATOM 3232 C4* G 0 151 187.752 -16.286 121.008 1.00737.35 C ATOM 3233 O4* G 0 151 186.524 -17.041 120.815 1.00737.35 O ATOM 3234 C3* G 0 151 187.391 -14.870 120.589 1.00737.35 C ATOM 3235 O3* G 0 151 188.545 -14.141 120.184 1.00737.35 O ATOM 3236 C2* G 0 151 186.431 -15.116 119.433 1.00737.35 C ATOM 3237 O2* G 0 151 187.085 -15.435 118.222 1.00737.35 O ATOM 3238 C1* G 0 151 185.656 -16.332 119.943 1.00737.35 C ATOM 3239 N9 G 0 151 184.452 -15.965 120.684 1.00737.35 N ATOM 3240 C8 G 0 151 184.347 -15.733 122.036 1.00737.35 C ATOM 3241 N7 G 0 151 183.140 -15.409 122.407 1.00737.35 N ATOM 3242 C5 G 0 151 182.400 -15.430 121.234 1.00737.35 C ATOM 3243 C6 G 0 151 181.026 -15.158 121.011 1.00737.35 C ATOM 3244 O6 G 0 151 180.162 -14.829 121.832 1.00737.35 O ATOM 3245 N1 G 0 151 180.690 -15.299 119.668 1.00737.35 N ATOM 3246 C2 G 0 151 181.559 -15.652 118.667 1.00737.35 C ATOM 3247 N2 G 0 151 181.039 -15.735 117.433 1.00737.35 N ATOM 3248 N3 G 0 151 182.844 -15.904 118.860 1.00737.35 N ATOM 3249 C4 G 0 151 183.193 -15.776 120.160 1.00737.35 C ATOM 3250 P G 0 152 188.536 -12.532 120.241 1.00737.35 P ATOM 3251 O1P G 0 152 189.897 -12.070 119.864 1.00737.35 O ATOM 3252 O2P G 0 152 187.953 -12.109 121.543 1.00737.35 O ATOM 3253 O5* G 0 152 187.525 -12.111 119.083 1.00737.35 O ATOM 3254 C5* G 0 152 187.786 -12.457 117.725 1.00737.35 C ATOM 3255 C4* G 0 152 186.570 -12.189 116.868 1.00737.35 C ATOM 3256 O4* G 0 152 185.458 -12.998 117.339 1.00737.35 O ATOM 3257 C3* G 0 152 186.032 -10.769 116.893 1.00737.35 C ATOM 3258 O3* G 0 152 186.751 -9.936 115.988 1.00737.35 O ATOM 3259 C2* G 0 152 184.584 -10.968 116.458 1.00737.35 C ATOM 3260 O2* G 0 152 184.438 -11.110 115.058 1.00737.35 O ATOM 3261 C1* G 0 152 184.243 -12.292 117.143 1.00737.35 C ATOM 3262 N9 G 0 152 183.584 -12.120 118.438 1.00737.35 N ATOM 3263 C8 G 0 152 184.173 -12.116 119.680 1.00737.35 C ATOM 3264 N7 G 0 152 183.321 -11.935 120.652 1.00737.35 N ATOM 3265 C5 G 0 152 182.094 -11.814 120.015 1.00737.35 C ATOM 3266 C6 G 0 152 180.795 -11.604 120.553 1.00737.35 C ATOM 3267 O6 G 0 152 180.462 -11.476 121.737 1.00737.35 O ATOM 3268 N1 G 0 152 179.833 -11.544 119.551 1.00737.35 N ATOM 3269 C2 G 0 152 180.081 -11.668 118.206 1.00737.35 C ATOM 3270 N2 G 0 152 179.014 -11.582 117.398 1.00737.35 N ATOM 3271 N3 G 0 152 181.284 -11.866 117.693 1.00737.35 N ATOM 3272 C4 G 0 152 182.235 -11.928 118.649 1.00737.35 C ATOM 3273 P A 0 153 186.747 -8.339 116.193 1.00737.35 P ATOM 3274 O1P A 0 153 187.707 -7.767 115.214 1.00737.35 O ATOM 3275 O2P A 0 153 186.913 -8.046 117.641 1.00737.35 O ATOM 3276 O5* A 0 153 185.278 -7.900 115.760 1.00737.35 O ATOM 3277 C5* A 0 153 184.786 -8.184 114.452 1.00737.35 C ATOM 3278 C4* A 0 153 183.313 -7.856 114.358 1.00737.35 C ATOM 3279 O4* A 0 153 182.575 -8.667 115.310 1.00737.35 O ATOM 3280 C3* A 0 153 182.925 -6.428 114.703 1.00737.35 C ATOM 3281 O3* A 0 153 183.099 -5.578 113.572 1.00737.35 O ATOM 3282 C2* A 0 153 181.459 -6.578 115.092 1.00737.35 C ATOM 3283 O2* A 0 153 180.591 -6.637 113.976 1.00737.35 O ATOM 3284 C1* A 0 153 181.469 -7.930 115.805 1.00737.35 C ATOM 3285 N9 A 0 153 181.591 -7.829 117.262 1.00737.35 N ATOM 3286 C8 A 0 153 182.737 -7.852 118.021 1.00737.35 C ATOM 3287 N7 A 0 153 182.521 -7.739 119.310 1.00737.35 N ATOM 3288 C5 A 0 153 181.140 -7.638 119.408 1.00737.35 C ATOM 3289 C6 A 0 153 180.278 -7.498 120.512 1.00737.35 C ATOM 3290 N6 A 0 153 180.697 -7.435 121.777 1.00737.35 N ATOM 3291 N1 A 0 153 178.951 -7.423 120.266 1.00737.35 N ATOM 3292 C2 A 0 153 178.530 -7.487 118.997 1.00737.35 C ATOM 3293 N3 A 0 153 179.240 -7.618 117.878 1.00737.35 N ATOM 3294 C4 A 0 153 180.553 -7.690 118.154 1.00737.35 C ATOM 3295 P U 0 154 183.220 -3.986 113.775 1.00737.35 P ATOM 3296 O1P U 0 154 183.825 -3.437 112.534 1.00737.35 O ATOM 3297 O2P U 0 154 183.865 -3.713 115.085 1.00737.35 O ATOM 3298 O5* U 0 154 181.707 -3.496 113.849 1.00737.35 O ATOM 3299 C5* U 0 154 180.791 -3.784 112.795 1.00737.35 C ATOM 3300 C4* U 0 154 179.377 -3.470 113.223 1.00737.35 C ATOM 3301 O4* U 0 154 179.038 -4.275 114.382 1.00737.35 O ATOM 3302 C3* U 0 154 179.117 -2.037 113.663 1.00737.35 C ATOM 3303 O3* U 0 154 178.847 -1.216 112.528 1.00737.35 O ATOM 3304 C2* U 0 154 177.900 -2.195 114.568 1.00737.35 C ATOM 3305 O2* U 0 154 176.681 -2.279 113.856 1.00737.35 O ATOM 3306 C1* U 0 154 178.195 -3.534 115.251 1.00737.35 C ATOM 3307 N1 U 0 154 178.860 -3.408 116.559 1.00737.35 N ATOM 3308 C2 U 0 154 178.058 -3.286 117.685 1.00737.35 C ATOM 3309 O2 U 0 154 176.838 -3.278 117.640 1.00737.35 O ATOM 3310 N3 U 0 154 178.742 -3.176 118.872 1.00737.35 N ATOM 3311 C4 U 0 154 180.112 -3.173 119.047 1.00737.35 C ATOM 3312 O4 U 0 154 180.575 -3.073 120.184 1.00737.35 O ATOM 3313 C5 U 0 154 180.867 -3.298 117.841 1.00737.35 C ATOM 3314 C6 U 0 154 180.235 -3.408 116.669 1.00737.35 C ATOM 3315 P G 0 155 178.821 0.385 112.683 1.00737.35 P ATOM 3316 O1P G 0 155 177.587 0.732 113.436 1.00737.35 O ATOM 3317 O2P G 0 155 179.047 0.976 111.339 1.00737.35 O ATOM 3318 O5* G 0 155 180.092 0.720 113.586 1.00737.35 O ATOM 3319 C5* G 0 155 179.943 1.366 114.852 1.00737.35 C ATOM 3320 C4* G 0 155 181.239 2.023 115.268 1.00737.35 C ATOM 3321 O4* G 0 155 182.259 1.009 115.462 1.00737.35 O ATOM 3322 C3* G 0 155 181.867 2.983 114.270 1.00737.35 C ATOM 3323 O3* G 0 155 181.267 4.273 114.357 1.00737.35 O ATOM 3324 C2* G 0 155 183.324 3.007 114.718 1.00737.35 C ATOM 3325 O2* G 0 155 183.558 3.875 115.810 1.00737.35 O ATOM 3326 C1* G 0 155 183.532 1.558 115.165 1.00737.35 C ATOM 3327 N9 G 0 155 184.194 0.717 114.172 1.00737.35 N ATOM 3328 C8 G 0 155 183.606 -0.028 113.177 1.00737.35 C ATOM 3329 N7 G 0 155 184.469 -0.682 112.448 1.00737.35 N ATOM 3330 C5 G 0 155 185.703 -0.348 112.992 1.00737.35 C ATOM 3331 C6 G 0 155 187.013 -0.752 112.623 1.00737.35 C ATOM 3332 O6 G 0 155 187.358 -1.517 111.710 1.00737.35 O ATOM 3333 N1 G 0 155 187.976 -0.171 113.438 1.00737.35 N ATOM 3334 C2 G 0 155 187.717 0.687 114.480 1.00737.35 C ATOM 3335 N2 G 0 155 188.786 1.146 115.150 1.00737.35 N ATOM 3336 N3 G 0 155 186.503 1.069 114.836 1.00737.35 N ATOM 3337 C4 G 0 155 185.551 0.516 114.053 1.00737.35 C ATOM 3338 P G 0 156 181.415 5.309 113.134 1.00737.35 P ATOM 3339 O1P G 0 156 180.545 6.474 113.434 1.00737.35 O ATOM 3340 O2P G 0 156 181.232 4.568 111.858 1.00737.35 O ATOM 3341 O5* G 0 156 182.933 5.790 113.216 1.00737.35 O ATOM 3342 C5* G 0 156 183.410 6.520 114.345 1.00737.35 C ATOM 3343 C4* G 0 156 184.904 6.729 114.245 1.00737.35 C ATOM 3344 O4* G 0 156 185.575 5.441 114.252 1.00737.35 O ATOM 3345 C3* G 0 156 185.395 7.401 112.973 1.00737.35 C ATOM 3346 O3* G 0 156 185.302 8.818 113.076 1.00737.35 O ATOM 3347 C2* G 0 156 186.844 6.931 112.896 1.00737.35 C ATOM 3348 O2* G 0 156 187.715 7.679 113.720 1.00737.35 O ATOM 3349 C1* G 0 156 186.728 5.500 113.429 1.00737.35 C ATOM 3350 N9 G 0 156 186.607 4.490 112.379 1.00737.35 N ATOM 3351 C8 G 0 156 185.460 3.853 111.963 1.00737.35 C ATOM 3352 N7 G 0 156 185.673 2.993 111.003 1.00737.35 N ATOM 3353 C5 G 0 156 187.040 3.068 110.768 1.00737.35 C ATOM 3354 C6 G 0 156 187.852 2.365 109.840 1.00737.35 C ATOM 3355 O6 G 0 156 187.516 1.508 109.013 1.00737.35 O ATOM 3356 N1 G 0 156 189.186 2.749 109.939 1.00737.35 N ATOM 3357 C2 G 0 156 189.677 3.683 110.816 1.00737.35 C ATOM 3358 N2 G 0 156 190.998 3.914 110.755 1.00737.35 N ATOM 3359 N3 G 0 156 188.933 4.342 111.686 1.00737.35 N ATOM 3360 C4 G 0 156 187.632 3.985 111.610 1.00737.35 C ATOM 3361 P G 0 157 185.107 9.704 111.748 1.00737.35 P ATOM 3362 O1P G 0 157 185.076 11.126 112.170 1.00737.35 O ATOM 3363 O2P G 0 157 183.974 9.143 110.971 1.00737.35 O ATOM 3364 O5* G 0 157 186.452 9.463 110.928 1.00737.35 O ATOM 3365 C5* G 0 157 186.554 9.843 109.558 1.00737.35 C ATOM 3366 C4* G 0 157 187.991 9.756 109.100 1.00737.35 C ATOM 3367 O4* G 0 157 188.500 8.423 109.363 1.00737.35 O ATOM 3368 C3* G 0 157 188.209 9.955 107.608 1.00737.35 C ATOM 3369 O3* G 0 157 188.299 11.338 107.282 1.00737.35 O ATOM 3370 C2* G 0 157 189.531 9.230 107.375 1.00737.35 C ATOM 3371 O2* G 0 157 190.660 10.006 107.725 1.00737.35 O ATOM 3372 C1* G 0 157 189.401 8.044 108.334 1.00737.35 C ATOM 3373 N9 G 0 157 188.893 6.830 107.699 1.00737.35 N ATOM 3374 C8 G 0 157 187.582 6.513 107.437 1.00737.35 C ATOM 3375 N7 G 0 157 187.442 5.352 106.854 1.00737.35 N ATOM 3376 C5 G 0 157 188.738 4.872 106.726 1.00737.35 C ATOM 3377 C6 G 0 157 189.217 3.657 106.171 1.00737.35 C ATOM 3378 O6 G 0 157 188.569 2.732 105.665 1.00737.35 O ATOM 3379 N1 G 0 157 190.603 3.574 106.243 1.00737.35 N ATOM 3380 C2 G 0 157 191.426 4.533 106.779 1.00737.35 C ATOM 3381 N2 G 0 157 192.740 4.268 106.756 1.00737.35 N ATOM 3382 N3 G 0 157 190.994 5.669 107.301 1.00737.35 N ATOM 3383 C4 G 0 157 189.647 5.772 107.241 1.00737.35 C ATOM 3384 P A 0 158 187.709 11.871 105.884 1.00737.35 P ATOM 3385 O1P A 0 158 186.592 12.794 106.205 1.00737.35 O ATOM 3386 O2P A 0 158 187.467 10.715 104.982 1.00737.35 O ATOM 3387 O5* A 0 158 188.896 12.739 105.266 1.00737.35 O ATOM 3388 C5* A 0 158 190.251 12.309 105.371 1.00737.35 C ATOM 3389 C4* A 0 158 190.975 12.529 104.063 1.00737.35 C ATOM 3390 O4* A 0 158 192.378 12.195 104.234 1.00737.35 O ATOM 3391 C3* A 0 158 190.511 11.654 102.908 1.00737.35 C ATOM 3392 O3* A 0 158 189.391 12.235 102.245 1.00737.35 O ATOM 3393 C2* A 0 158 191.747 11.614 102.018 1.00737.35 C ATOM 3394 O2* A 0 158 191.893 12.767 101.215 1.00737.35 O ATOM 3395 C1* A 0 158 192.866 11.564 103.060 1.00737.35 C ATOM 3396 N9 A 0 158 193.286 10.202 103.407 1.00737.35 N ATOM 3397 C8 A 0 158 193.131 9.549 104.606 1.00737.35 C ATOM 3398 N7 A 0 158 193.613 8.331 104.611 1.00737.35 N ATOM 3399 C5 A 0 158 194.123 8.169 103.330 1.00737.35 C ATOM 3400 C6 A 0 158 194.768 7.092 102.700 1.00737.35 C ATOM 3401 N6 A 0 158 195.023 5.926 103.300 1.00737.35 N ATOM 3402 N1 A 0 158 195.151 7.253 101.415 1.00737.35 N ATOM 3403 C2 A 0 158 194.894 8.421 100.813 1.00737.35 C ATOM 3404 N3 A 0 158 194.295 9.507 101.298 1.00737.35 N ATOM 3405 C4 A 0 158 193.930 9.312 102.578 1.00737.35 C ATOM 3406 P A 0 159 188.355 11.292 101.452 1.00737.35 P ATOM 3407 O1P A 0 159 187.280 12.167 100.922 1.00737.35 O ATOM 3408 O2P A 0 159 188.000 10.142 102.323 1.00737.35 O ATOM 3409 O5* A 0 159 189.201 10.739 100.220 1.00737.35 O ATOM 3410 C5* A 0 159 189.719 11.624 99.230 1.00737.35 C ATOM 3411 C4* A 0 159 190.611 10.874 98.265 1.00737.35 C ATOM 3412 O4* A 0 159 191.736 10.314 98.991 1.00737.35 O ATOM 3413 C3* A 0 159 189.977 9.675 97.577 1.00737.35 C ATOM 3414 O3* A 0 159 189.234 10.068 96.427 1.00737.35 O ATOM 3415 C2* A 0 159 191.196 8.840 97.208 1.00737.35 C ATOM 3416 O2* A 0 159 191.854 9.298 96.043 1.00737.35 O ATOM 3417 C1* A 0 159 192.090 9.059 98.429 1.00737.35 C ATOM 3418 N9 A 0 159 191.921 8.024 99.454 1.00737.35 N ATOM 3419 C8 A 0 159 191.279 8.120 100.666 1.00737.35 C ATOM 3420 N7 A 0 159 191.293 7.012 101.363 1.00737.35 N ATOM 3421 C5 A 0 159 191.994 6.123 100.560 1.00737.35 C ATOM 3422 C6 A 0 159 192.355 4.774 100.735 1.00737.35 C ATOM 3423 N6 A 0 159 192.044 4.059 101.817 1.00737.35 N ATOM 3424 N1 A 0 159 193.052 4.178 99.744 1.00737.35 N ATOM 3425 C2 A 0 159 193.363 4.897 98.656 1.00737.35 C ATOM 3426 N3 A 0 159 193.083 6.168 98.379 1.00737.35 N ATOM 3427 C4 A 0 159 192.388 6.732 99.384 1.00737.35 C ATOM 3428 P C 0 160 187.996 9.167 95.931 1.00737.35 P ATOM 3429 O1P C 0 160 187.486 9.773 94.675 1.00737.35 O ATOM 3430 O2P C 0 160 187.074 8.967 97.077 1.00737.35 O ATOM 3431 O5* C 0 160 188.661 7.761 95.575 1.00737.35 O ATOM 3432 C5* C 0 160 189.639 7.654 94.542 1.00737.35 C ATOM 3433 C4* C 0 160 190.204 6.254 94.491 1.00737.35 C ATOM 3434 O4* C 0 160 190.886 5.956 95.737 1.00737.35 O ATOM 3435 C3* C 0 160 189.187 5.132 94.354 1.00737.35 C ATOM 3436 O3* C 0 160 188.806 4.951 92.993 1.00737.35 O ATOM 3437 C2* C 0 160 189.959 3.933 94.890 1.00737.35 C ATOM 3438 O2* C 0 160 190.835 3.363 93.940 1.00737.35 O ATOM 3439 C1* C 0 160 190.766 4.570 96.025 1.00737.35 C ATOM 3440 N1 C 0 160 190.149 4.404 97.358 1.00737.35 N ATOM 3441 C2 C 0 160 190.387 3.215 98.071 1.00737.35 C ATOM 3442 O2 C 0 160 191.105 2.337 97.565 1.00737.35 O ATOM 3443 N3 C 0 160 189.827 3.055 99.293 1.00737.35 N ATOM 3444 C4 C 0 160 189.059 4.018 99.808 1.00737.35 C ATOM 3445 N4 C 0 160 188.531 3.813 101.017 1.00737.35 N ATOM 3446 C5 C 0 160 188.800 5.232 99.107 1.00737.35 C ATOM 3447 C6 C 0 160 189.359 5.383 97.897 1.00737.35 C ATOM 3448 P U 0 161 187.319 4.448 92.645 1.00737.35 P ATOM 3449 O1P U 0 161 187.246 4.275 91.171 1.00737.35 O ATOM 3450 O2P U 0 161 186.348 5.341 93.325 1.00737.35 O ATOM 3451 O5* U 0 161 187.234 3.009 93.323 1.00737.35 O ATOM 3452 C5* U 0 161 188.043 1.931 92.858 1.00737.35 C ATOM 3453 C4* U 0 161 187.575 0.625 93.458 1.00737.35 C ATOM 3454 O4* U 0 161 187.815 0.631 94.889 1.00737.35 O ATOM 3455 C3* U 0 161 186.089 0.339 93.326 1.00737.35 C ATOM 3456 O3* U 0 161 185.788 -0.224 92.054 1.00737.35 O ATOM 3457 C2* U 0 161 185.847 -0.642 94.469 1.00737.35 C ATOM 3458 O2* U 0 161 186.216 -1.969 94.149 1.00737.35 O ATOM 3459 C1* U 0 161 186.781 -0.087 95.549 1.00737.35 C ATOM 3460 N1 U 0 161 186.116 0.814 96.505 1.00737.35 N ATOM 3461 C2 U 0 161 185.500 0.246 97.615 1.00737.35 C ATOM 3462 O2 U 0 161 185.485 -0.957 97.829 1.00737.35 O ATOM 3463 N3 U 0 161 184.900 1.141 98.466 1.00737.35 N ATOM 3464 C4 U 0 161 184.849 2.514 98.328 1.00737.35 C ATOM 3465 O4 U 0 161 184.272 3.189 99.182 1.00737.35 O ATOM 3466 C5 U 0 161 185.502 3.022 97.162 1.00737.35 C ATOM 3467 C6 U 0 161 186.096 2.180 96.312 1.00737.35 C ATOM 3468 P C 0 162 184.330 -0.005 91.412 1.00737.35 P ATOM 3469 O1P C 0 162 184.371 -0.552 90.031 1.00737.35 O ATOM 3470 O2P C 0 162 183.919 1.405 91.627 1.00737.35 O ATOM 3471 O5* C 0 162 183.384 -0.940 92.289 1.00737.35 O ATOM 3472 C5* C 0 162 183.550 -2.356 92.279 1.00737.35 C ATOM 3473 C4* C 0 162 182.710 -2.994 93.363 1.00737.35 C ATOM 3474 O4* C 0 162 183.185 -2.565 94.664 1.00737.35 O ATOM 3475 C3* C 0 162 181.236 -2.622 93.366 1.00737.35 C ATOM 3476 O3* C 0 162 180.504 -3.410 92.433 1.00737.35 O ATOM 3477 C2* C 0 162 180.835 -2.925 94.807 1.00737.35 C ATOM 3478 O2* C 0 162 180.586 -4.296 95.040 1.00737.35 O ATOM 3479 C1* C 0 162 182.092 -2.491 95.569 1.00737.35 C ATOM 3480 N1 C 0 162 182.008 -1.116 96.106 1.00737.35 N ATOM 3481 C2 C 0 162 181.478 -0.925 97.392 1.00737.35 C ATOM 3482 O2 C 0 162 181.104 -1.912 98.048 1.00737.35 O ATOM 3483 N3 C 0 162 181.388 0.329 97.890 1.00737.35 N ATOM 3484 C4 C 0 162 181.800 1.369 97.159 1.00737.35 C ATOM 3485 N4 C 0 162 181.686 2.588 97.691 1.00737.35 N ATOM 3486 C5 C 0 162 182.343 1.204 95.852 1.00737.35 C ATOM 3487 C6 C 0 162 182.432 -0.043 95.371 1.00737.35 C ATOM 3488 P A 0 163 179.149 -2.830 91.793 1.00737.35 P ATOM 3489 O1P A 0 163 178.664 -3.830 90.809 1.00737.35 O ATOM 3490 O2P A 0 163 179.390 -1.430 91.358 1.00737.35 O ATOM 3491 O5* A 0 163 178.131 -2.803 93.022 1.00737.35 O ATOM 3492 C5* A 0 163 177.661 -4.013 93.607 1.00737.35 C ATOM 3493 C4* A 0 163 176.773 -3.716 94.795 1.00737.35 C ATOM 3494 O4* A 0 163 177.559 -3.099 95.848 1.00737.35 O ATOM 3495 C3* A 0 163 175.642 -2.729 94.550 1.00737.35 C ATOM 3496 O3* A 0 163 174.518 -3.372 93.958 1.00737.35 O ATOM 3497 C2* A 0 163 175.342 -2.231 95.960 1.00737.35 C ATOM 3498 O2* A 0 163 174.525 -3.117 96.702 1.00737.35 O ATOM 3499 C1* A 0 163 176.745 -2.186 96.571 1.00737.35 C ATOM 3500 N9 A 0 163 177.364 -0.859 96.516 1.00737.35 N ATOM 3501 C8 A 0 163 178.280 -0.380 95.609 1.00737.35 C ATOM 3502 N7 A 0 163 178.643 0.860 95.830 1.00737.35 N ATOM 3503 C5 A 0 163 177.920 1.225 96.958 1.00737.35 C ATOM 3504 C6 A 0 163 177.858 2.420 97.697 1.00737.35 C ATOM 3505 N6 A 0 163 178.564 3.515 97.400 1.00737.35 N ATOM 3506 N1 A 0 163 177.033 2.452 98.767 1.00737.35 N ATOM 3507 C2 A 0 163 176.327 1.356 99.063 1.00737.35 C ATOM 3508 N3 A 0 163 176.299 0.177 98.448 1.00737.35 N ATOM 3509 C4 A 0 163 177.130 0.177 97.390 1.00737.35 C ATOM 3510 P G 0 164 173.462 -2.506 93.106 1.00737.35 P ATOM 3511 O1P G 0 164 172.514 -3.460 92.480 1.00737.35 O ATOM 3512 O2P G 0 164 174.212 -1.550 92.249 1.00737.35 O ATOM 3513 O5* G 0 164 172.678 -1.670 94.213 1.00737.35 O ATOM 3514 C5* G 0 164 171.792 -2.317 95.124 1.00737.35 C ATOM 3515 C4* G 0 164 171.218 -1.318 96.105 1.00737.35 C ATOM 3516 O4* G 0 164 172.276 -0.797 96.949 1.00737.35 O ATOM 3517 C3* G 0 164 170.587 -0.077 95.495 1.00737.35 C ATOM 3518 O3* G 0 164 169.250 -0.325 95.076 1.00737.35 O ATOM 3519 C2* G 0 164 170.645 0.912 96.658 1.00737.35 C ATOM 3520 O2* G 0 164 169.602 0.732 97.595 1.00737.35 O ATOM 3521 C1* G 0 164 171.988 0.548 97.297 1.00737.35 C ATOM 3522 N9 G 0 164 173.089 1.396 96.851 1.00737.35 N ATOM 3523 C8 G 0 164 174.027 1.110 95.885 1.00737.35 C ATOM 3524 N7 G 0 164 174.889 2.076 95.706 1.00737.35 N ATOM 3525 C5 G 0 164 174.497 3.059 96.605 1.00737.35 C ATOM 3526 C6 G 0 164 175.052 4.340 96.866 1.00737.35 C ATOM 3527 O6 G 0 164 176.031 4.881 96.338 1.00737.35 O ATOM 3528 N1 G 0 164 174.341 5.011 97.857 1.00737.35 N ATOM 3529 C2 G 0 164 173.243 4.517 98.512 1.00737.35 C ATOM 3530 N2 G 0 164 172.695 5.318 99.439 1.00737.35 N ATOM 3531 N3 G 0 164 172.715 3.327 98.280 1.00737.35 N ATOM 3532 C4 G 0 164 173.390 2.657 97.321 1.00737.35 C ATOM 3533 P G 0 165 168.600 0.570 93.910 1.00737.35 P ATOM 3534 O1P G 0 165 167.245 0.030 93.639 1.00737.35 O ATOM 3535 O2P G 0 165 169.580 0.678 92.798 1.00737.35 O ATOM 3536 O5* G 0 165 168.444 2.009 94.576 1.00737.35 O ATOM 3537 C5* G 0 165 167.507 2.230 95.627 1.00737.35 C ATOM 3538 C4* G 0 165 167.540 3.675 96.073 1.00737.35 C ATOM 3539 O4* G 0 165 168.824 3.970 96.686 1.00737.35 O ATOM 3540 C3* G 0 165 167.408 4.715 94.972 1.00737.35 C ATOM 3541 O3* G 0 165 166.042 4.927 94.630 1.00737.35 O ATOM 3542 C2* G 0 165 168.029 5.948 95.621 1.00737.35 C ATOM 3543 O2* G 0 165 167.136 6.636 96.476 1.00737.35 O ATOM 3544 C1* G 0 165 169.160 5.328 96.446 1.00737.35 C ATOM 3545 N9 G 0 165 170.466 5.380 95.789 1.00737.35 N ATOM 3546 C8 G 0 165 171.045 4.408 95.005 1.00737.35 C ATOM 3547 N7 G 0 165 172.223 4.748 94.557 1.00737.35 N ATOM 3548 C5 G 0 165 172.436 6.019 95.076 1.00737.35 C ATOM 3549 C6 G 0 165 173.544 6.897 94.933 1.00737.35 C ATOM 3550 O6 G 0 165 174.593 6.720 94.299 1.00737.35 O ATOM 3551 N1 G 0 165 173.345 8.088 95.622 1.00737.35 N ATOM 3552 C2 G 0 165 172.227 8.397 96.357 1.00737.35 C ATOM 3553 N2 G 0 165 172.224 9.601 96.950 1.00737.35 N ATOM 3554 N3 G 0 165 171.190 7.590 96.501 1.00737.35 N ATOM 3555 C4 G 0 165 171.362 6.425 95.838 1.00737.35 C ATOM 3556 P G 0 166 165.635 5.187 93.096 1.00737.35 P ATOM 3557 O1P G 0 166 164.181 5.496 93.072 1.00737.35 O ATOM 3558 O2P G 0 166 166.159 4.066 92.275 1.00737.35 O ATOM 3559 O5* G 0 166 166.432 6.509 92.703 1.00737.35 O ATOM 3560 C5* G 0 166 166.208 7.734 93.397 1.00737.35 C ATOM 3561 C4* G 0 166 167.314 8.718 93.096 1.00737.35 C ATOM 3562 O4* G 0 166 168.580 8.174 93.562 1.00737.35 O ATOM 3563 C3* G 0 166 167.550 9.024 91.626 1.00737.35 C ATOM 3564 O3* G 0 166 166.654 10.034 91.174 1.00737.35 O ATOM 3565 C2* G 0 166 169.005 9.483 91.622 1.00737.35 C ATOM 3566 O2* G 0 166 169.164 10.827 92.024 1.00737.35 O ATOM 3567 C1* G 0 166 169.618 8.551 92.669 1.00737.35 C ATOM 3568 N9 G 0 166 170.198 7.337 92.100 1.00737.35 N ATOM 3569 C8 G 0 166 169.549 6.155 91.824 1.00737.35 C ATOM 3570 N7 G 0 166 170.334 5.244 91.317 1.00737.35 N ATOM 3571 C5 G 0 166 171.578 5.860 91.251 1.00737.35 C ATOM 3572 C6 G 0 166 172.823 5.363 90.786 1.00737.35 C ATOM 3573 O6 G 0 166 173.085 4.246 90.323 1.00737.35 O ATOM 3574 N1 G 0 166 173.827 6.319 90.898 1.00737.35 N ATOM 3575 C2 G 0 166 173.658 7.587 91.394 1.00737.35 C ATOM 3576 N2 G 0 166 174.752 8.363 91.419 1.00737.35 N ATOM 3577 N3 G 0 166 172.503 8.064 91.830 1.00737.35 N ATOM 3578 C4 G 0 166 171.512 7.150 91.731 1.00737.35 C ATOM 3579 P A 0 167 166.601 10.424 89.614 1.00737.35 P ATOM 3580 O1P A 0 167 165.389 11.261 89.417 1.00737.35 O ATOM 3581 O2P A 0 167 166.781 9.192 88.804 1.00737.35 O ATOM 3582 O5* A 0 167 167.886 11.345 89.417 1.00737.35 O ATOM 3583 C5* A 0 167 167.929 12.346 88.404 1.00737.35 C ATOM 3584 C4* A 0 167 167.916 13.718 89.035 1.00737.35 C ATOM 3585 O4* A 0 167 168.999 13.817 89.995 1.00737.35 O ATOM 3586 C3* A 0 167 168.143 14.884 88.089 1.00737.35 C ATOM 3587 O3* A 0 167 166.926 15.265 87.453 1.00737.35 O ATOM 3588 C2* A 0 167 168.661 15.967 89.031 1.00737.35 C ATOM 3589 O2* A 0 167 167.631 16.628 89.736 1.00737.35 O ATOM 3590 C1* A 0 167 169.506 15.142 90.006 1.00737.35 C ATOM 3591 N9 A 0 167 170.928 15.096 89.660 1.00737.35 N ATOM 3592 C8 A 0 167 171.546 14.321 88.710 1.00737.35 C ATOM 3593 N7 A 0 167 172.841 14.505 88.636 1.00737.35 N ATOM 3594 C5 A 0 167 173.097 15.468 89.604 1.00737.35 C ATOM 3595 C6 A 0 167 174.283 16.094 90.025 1.00737.35 C ATOM 3596 N6 A 0 167 175.484 15.836 89.503 1.00737.35 N ATOM 3597 N1 A 0 167 174.192 17.011 91.013 1.00737.35 N ATOM 3598 C2 A 0 167 172.988 17.269 91.537 1.00737.35 C ATOM 3599 N3 A 0 167 171.802 16.748 91.228 1.00737.35 N ATOM 3600 C4 A 0 167 171.927 15.842 90.241 1.00737.35 C ATOM 3601 P A 0 168 166.969 16.036 86.043 1.00737.35 P ATOM 3602 O1P A 0 168 165.565 16.190 85.582 1.00737.35 O ATOM 3603 O2P A 0 168 167.958 15.365 85.163 1.00737.35 O ATOM 3604 O5* A 0 168 167.531 17.480 86.416 1.00737.35 O ATOM 3605 C5* A 0 168 166.787 18.364 87.251 1.00737.35 C ATOM 3606 C4* A 0 168 167.646 19.528 87.688 1.00737.35 C ATOM 3607 O4* A 0 168 168.749 19.038 88.493 1.00737.35 O ATOM 3608 C3* A 0 168 168.318 20.311 86.569 1.00737.35 C ATOM 3609 O3* A 0 168 167.430 21.286 86.027 1.00737.35 O ATOM 3610 C2* A 0 168 169.503 20.945 87.289 1.00737.35 C ATOM 3611 O2* A 0 168 169.155 22.105 88.017 1.00737.35 O ATOM 3612 C1* A 0 168 169.904 19.828 88.255 1.00737.35 C ATOM 3613 N9 A 0 168 170.962 18.959 87.736 1.00737.35 N ATOM 3614 C8 A 0 168 170.828 17.794 87.021 1.00737.35 C ATOM 3615 N7 A 0 168 171.969 17.240 86.696 1.00737.35 N ATOM 3616 C5 A 0 168 172.921 18.096 87.228 1.00737.35 C ATOM 3617 C6 A 0 168 174.327 18.068 87.225 1.00737.35 C ATOM 3618 N6 A 0 168 175.047 17.106 86.645 1.00737.35 N ATOM 3619 N1 A 0 168 174.977 19.076 87.847 1.00737.35 N ATOM 3620 C2 A 0 168 174.254 20.040 88.430 1.00737.35 C ATOM 3621 N3 A 0 168 172.932 20.177 88.500 1.00737.35 N ATOM 3622 C4 A 0 168 172.315 19.160 87.873 1.00737.35 C ATOM 3623 P C 0 169 167.679 21.854 84.545 1.00737.35 P ATOM 3624 O1P C 0 169 166.516 22.710 84.200 1.00737.35 O ATOM 3625 O2P C 0 169 168.045 20.723 83.654 1.00737.35 O ATOM 3626 O5* C 0 169 168.956 22.796 84.706 1.00737.35 O ATOM 3627 C5* C 0 169 168.910 23.953 85.537 1.00737.35 C ATOM 3628 C4* C 0 169 170.297 24.518 85.733 1.00737.35 C ATOM 3629 O4* C 0 169 171.125 23.537 86.410 1.00737.35 O ATOM 3630 C3* C 0 169 171.070 24.836 84.463 1.00737.35 C ATOM 3631 O3* C 0 169 170.721 26.119 83.954 1.00737.35 O ATOM 3632 C2* C 0 169 172.512 24.803 84.953 1.00737.35 C ATOM 3633 O2* C 0 169 172.893 25.986 85.625 1.00737.35 O ATOM 3634 C1* C 0 169 172.466 23.651 85.958 1.00737.35 C ATOM 3635 N1 C 0 169 172.900 22.354 85.397 1.00737.35 N ATOM 3636 C2 C 0 169 174.277 22.089 85.290 1.00737.35 C ATOM 3637 O2 C 0 169 175.090 22.954 85.656 1.00737.35 O ATOM 3638 N3 C 0 169 174.684 20.902 84.787 1.00737.35 N ATOM 3639 C4 C 0 169 173.783 19.999 84.397 1.00737.35 C ATOM 3640 N4 C 0 169 174.234 18.840 83.912 1.00737.35 N ATOM 3641 C5 C 0 169 172.382 20.241 84.488 1.00737.35 C ATOM 3642 C6 C 0 169 171.988 21.419 84.989 1.00737.35 C ATOM 3643 P U 0 170 170.369 26.290 82.394 1.00737.35 P ATOM 3644 O1P U 0 170 170.356 27.747 82.100 1.00737.35 O ATOM 3645 O2P U 0 170 169.166 25.473 82.097 1.00737.35 O ATOM 3646 O5* U 0 170 171.612 25.639 81.638 1.00737.35 O ATOM 3647 C5* U 0 170 172.919 26.199 81.748 1.00737.35 C ATOM 3648 C4* U 0 170 173.945 25.264 81.148 1.00737.35 C ATOM 3649 O4* U 0 170 173.942 24.015 81.889 1.00737.35 O ATOM 3650 C3* U 0 170 173.696 24.848 79.706 1.00737.35 C ATOM 3651 O3* U 0 170 174.217 25.814 78.796 1.00737.35 O ATOM 3652 C2* U 0 170 174.442 23.522 79.618 1.00737.35 C ATOM 3653 O2* U 0 170 175.835 23.680 79.424 1.00737.35 O ATOM 3654 C1* U 0 170 174.176 22.931 81.003 1.00737.35 C ATOM 3655 N1 U 0 170 173.011 22.030 81.045 1.00737.35 N ATOM 3656 C2 U 0 170 173.213 20.694 80.726 1.00737.35 C ATOM 3657 O2 U 0 170 174.304 20.238 80.418 1.00737.35 O ATOM 3658 N3 U 0 170 172.088 19.909 80.782 1.00737.35 N ATOM 3659 C4 U 0 170 170.809 20.306 81.114 1.00737.35 C ATOM 3660 O4 U 0 170 169.898 19.478 81.119 1.00737.35 O ATOM 3661 C5 U 0 170 170.681 21.696 81.431 1.00737.35 C ATOM 3662 C6 U 0 170 171.756 22.488 81.387 1.00737.35 C ATOM 3663 P G 0 171 173.509 26.031 77.369 1.00737.35 P ATOM 3664 O1P G 0 171 174.167 27.196 76.722 1.00737.35 O ATOM 3665 O2P G 0 171 172.037 26.039 77.567 1.00737.35 O ATOM 3666 O5* G 0 171 173.892 24.720 76.545 1.00737.35 O ATOM 3667 C5* G 0 171 175.210 24.532 76.033 1.00737.35 C ATOM 3668 C4* G 0 171 175.285 23.241 75.250 1.00737.35 C ATOM 3669 O4* G 0 171 175.053 22.123 76.147 1.00737.35 O ATOM 3670 C3* G 0 171 174.240 23.080 74.157 1.00737.35 C ATOM 3671 O3* G 0 171 174.668 23.694 72.945 1.00737.35 O ATOM 3672 C2* G 0 171 174.136 21.566 74.029 1.00737.35 C ATOM 3673 O2* G 0 171 175.174 20.999 73.255 1.00737.35 O ATOM 3674 C1* G 0 171 174.281 21.133 75.490 1.00737.35 C ATOM 3675 N9 G 0 171 173.003 21.005 76.189 1.00737.35 N ATOM 3676 C8 G 0 171 172.515 21.823 77.183 1.00737.35 C ATOM 3677 N7 G 0 171 171.340 21.458 77.617 1.00737.35 N ATOM 3678 C5 G 0 171 171.030 20.333 76.868 1.00737.35 C ATOM 3679 C6 G 0 171 169.879 19.501 76.891 1.00737.35 C ATOM 3680 O6 G 0 171 168.875 19.598 77.606 1.00737.35 O ATOM 3681 N1 G 0 171 169.976 18.472 75.962 1.00737.35 N ATOM 3682 C2 G 0 171 171.039 18.264 75.117 1.00737.35 C ATOM 3683 N2 G 0 171 170.939 17.211 74.293 1.00737.35 N ATOM 3684 N3 G 0 171 172.115 19.029 75.085 1.00737.35 N ATOM 3685 C4 G 0 171 172.043 20.038 75.980 1.00737.35 C ATOM 3686 P A 0 172 173.580 24.324 71.944 1.00737.35 P ATOM 3687 O1P A 0 172 174.326 25.017 70.862 1.00737.35 O ATOM 3688 O2P A 0 172 172.584 25.083 72.746 1.00737.35 O ATOM 3689 O5* A 0 172 172.847 23.055 71.317 1.00737.35 O ATOM 3690 C5* A 0 172 173.482 22.262 70.313 1.00737.35 C ATOM 3691 C4* A 0 172 172.515 21.246 69.753 1.00737.35 C ATOM 3692 O4* A 0 172 172.159 20.291 70.785 1.00737.35 O ATOM 3693 C3* A 0 172 171.180 21.790 69.266 1.00737.35 C ATOM 3694 O3* A 0 172 171.290 22.289 67.936 1.00737.35 O ATOM 3695 C2* A 0 172 170.281 20.561 69.344 1.00737.35 C ATOM 3696 O2* A 0 172 170.415 19.703 68.228 1.00737.35 O ATOM 3697 C1* A 0 172 170.818 19.865 70.597 1.00737.35 C ATOM 3698 N9 A 0 172 170.060 20.161 71.816 1.00737.35 N ATOM 3699 C8 A 0 172 170.297 21.150 72.743 1.00737.35 C ATOM 3700 N7 A 0 172 169.445 21.153 73.739 1.00737.35 N ATOM 3701 C5 A 0 172 168.589 20.100 73.451 1.00737.35 C ATOM 3702 C6 A 0 172 167.467 19.580 74.123 1.00737.35 C ATOM 3703 N6 A 0 172 167.006 20.070 75.274 1.00737.35 N ATOM 3704 N1 A 0 172 166.834 18.524 73.568 1.00737.35 N ATOM 3705 C2 A 0 172 167.303 18.034 72.414 1.00737.35 C ATOM 3706 N3 A 0 172 168.343 18.435 71.688 1.00737.35 N ATOM 3707 C4 A 0 172 168.951 19.483 72.267 1.00737.35 C ATOM 3708 P A 0 173 170.210 23.343 67.384 1.00737.35 P ATOM 3709 O1P A 0 173 168.897 22.649 67.338 1.00737.35 O ATOM 3710 O2P A 0 173 170.755 23.965 66.151 1.00737.35 O ATOM 3711 O5* A 0 173 170.135 24.459 68.522 1.00737.35 O ATOM 3712 C5* A 0 173 171.227 25.340 68.765 1.00737.35 C ATOM 3713 C4* A 0 173 171.055 26.028 70.100 1.00737.35 C ATOM 3714 O4* A 0 173 172.196 26.892 70.351 1.00737.35 O ATOM 3715 C3* A 0 173 169.845 26.943 70.208 1.00737.35 C ATOM 3716 O3* A 0 173 168.616 26.229 70.415 1.00737.35 O ATOM 3717 C2* A 0 173 170.264 27.970 71.257 1.00737.35 C ATOM 3718 O2* A 0 173 170.054 27.604 72.604 1.00737.35 O ATOM 3719 C1* A 0 173 171.766 28.090 70.980 1.00737.35 C ATOM 3720 N9 A 0 173 172.180 29.222 70.147 1.00737.35 N ATOM 3721 C8 A 0 173 173.435 29.784 70.120 1.00737.35 C ATOM 3722 N7 A 0 173 173.549 30.788 69.287 1.00737.35 N ATOM 3723 C5 A 0 173 172.284 30.901 68.725 1.00737.35 C ATOM 3724 C6 A 0 173 171.753 31.779 67.765 1.00737.35 C ATOM 3725 N6 A 0 173 172.458 32.750 67.178 1.00737.35 N ATOM 3726 N1 A 0 173 170.456 31.623 67.421 1.00737.35 N ATOM 3727 C2 A 0 173 169.751 30.649 68.008 1.00737.35 C ATOM 3728 N3 A 0 173 170.138 29.764 68.923 1.00737.35 N ATOM 3729 C4 A 0 173 171.430 29.944 69.244 1.00737.35 C ATOM 3730 P A 0 174 168.429 25.246 71.686 1.00737.35 P ATOM 3731 O1P A 0 174 169.600 25.321 72.594 1.00737.35 O ATOM 3732 O2P A 0 174 168.032 23.926 71.130 1.00737.35 O ATOM 3733 O5* A 0 174 167.156 25.826 72.447 1.00737.35 O ATOM 3734 C5* A 0 174 167.192 27.100 73.086 1.00737.35 C ATOM 3735 C4* A 0 174 165.858 27.396 73.735 1.00737.35 C ATOM 3736 O4* A 0 174 164.833 27.462 72.708 1.00737.35 O ATOM 3737 C3* A 0 174 165.356 26.335 74.703 1.00737.35 C ATOM 3738 O3* A 0 174 165.892 26.534 76.008 1.00737.35 O ATOM 3739 C2* A 0 174 163.848 26.551 74.670 1.00737.35 C ATOM 3740 O2* A 0 174 163.417 27.617 75.489 1.00737.35 O ATOM 3741 C1* A 0 174 163.625 26.904 73.197 1.00737.35 C ATOM 3742 N9 A 0 174 163.282 25.747 72.368 1.00737.35 N ATOM 3743 C8 A 0 174 164.138 24.866 71.750 1.00737.35 C ATOM 3744 N7 A 0 174 163.529 23.922 71.075 1.00737.35 N ATOM 3745 C5 A 0 174 162.181 24.200 71.256 1.00737.35 C ATOM 3746 C6 A 0 174 161.015 23.567 70.792 1.00737.35 C ATOM 3747 N6 A 0 174 161.020 22.478 70.019 1.00737.35 N ATOM 3748 N1 A 0 174 159.827 24.097 71.155 1.00737.35 N ATOM 3749 C2 A 0 174 159.823 25.190 71.930 1.00737.35 C ATOM 3750 N3 A 0 174 160.849 25.874 72.428 1.00737.35 N ATOM 3751 C4 A 0 174 162.014 25.321 72.051 1.00737.35 C ATOM 3752 P C 0 175 166.408 25.272 76.861 1.00737.35 P ATOM 3753 O1P C 0 175 166.745 25.766 78.222 1.00737.35 O ATOM 3754 O2P C 0 175 167.439 24.558 76.067 1.00737.35 O ATOM 3755 O5* C 0 175 165.128 24.331 76.977 1.00737.35 O ATOM 3756 C5* C 0 175 163.956 24.765 77.662 1.00737.35 C ATOM 3757 C4* C 0 175 162.785 23.869 77.325 1.00737.35 C ATOM 3758 O4* C 0 175 162.529 23.939 75.896 1.00737.35 O ATOM 3759 C3* C 0 175 162.984 22.386 77.596 1.00737.35 C ATOM 3760 O3* C 0 175 162.681 22.069 78.952 1.00737.35 O ATOM 3761 C2* C 0 175 161.983 21.747 76.639 1.00737.35 C ATOM 3762 O2* C 0 175 160.659 21.760 77.135 1.00737.35 O ATOM 3763 C1* C 0 175 162.089 22.675 75.425 1.00737.35 C ATOM 3764 N1 C 0 175 163.033 22.195 74.395 1.00737.35 N ATOM 3765 C2 C 0 175 162.555 21.349 73.378 1.00737.35 C ATOM 3766 O2 C 0 175 161.355 21.030 73.368 1.00737.35 O ATOM 3767 N3 C 0 175 163.416 20.900 72.435 1.00737.35 N ATOM 3768 C4 C 0 175 164.701 21.262 72.476 1.00737.35 C ATOM 3769 N4 C 0 175 165.512 20.796 71.524 1.00737.35 N ATOM 3770 C5 C 0 175 165.212 22.119 73.495 1.00737.35 C ATOM 3771 C6 C 0 175 164.350 22.557 74.424 1.00737.35 C ATOM 3772 P A 0 176 163.496 20.902 79.703 1.00737.35 P ATOM 3773 O1P A 0 176 164.183 21.533 80.860 1.00737.35 O ATOM 3774 O2P A 0 176 164.291 20.139 78.706 1.00737.35 O ATOM 3775 O5* A 0 176 162.351 19.955 80.283 1.00737.35 O ATOM 3776 C5* A 0 176 162.127 18.651 79.750 1.00737.35 C ATOM 3777 C4* A 0 176 160.661 18.295 79.837 1.00737.35 C ATOM 3778 O4* A 0 176 159.887 19.292 79.121 1.00737.35 O ATOM 3779 C3* A 0 176 160.270 16.976 79.187 1.00737.35 C ATOM 3780 O3* A 0 176 160.449 15.887 80.089 1.00737.35 O ATOM 3781 C2* A 0 176 158.795 17.192 78.870 1.00737.35 C ATOM 3782 O2* A 0 176 157.949 16.978 79.983 1.00737.35 O ATOM 3783 C1* A 0 176 158.779 18.674 78.486 1.00737.35 C ATOM 3784 N9 A 0 176 158.881 18.909 77.045 1.00737.35 N ATOM 3785 C8 A 0 176 160.008 18.888 76.259 1.00737.35 C ATOM 3786 N7 A 0 176 159.774 19.142 74.994 1.00737.35 N ATOM 3787 C5 A 0 176 158.401 19.342 74.941 1.00737.35 C ATOM 3788 C6 A 0 176 157.532 19.647 73.881 1.00737.35 C ATOM 3789 N6 A 0 176 157.934 19.814 72.617 1.00737.35 N ATOM 3790 N1 A 0 176 156.218 19.778 74.163 1.00737.35 N ATOM 3791 C2 A 0 176 155.816 19.611 75.430 1.00737.35 C ATOM 3792 N3 A 0 176 156.537 19.325 76.512 1.00737.35 N ATOM 3793 C4 A 0 176 157.838 19.200 76.197 1.00737.35 C ATOM 3794 P U 0 177 161.138 14.526 79.580 1.00737.35 P ATOM 3795 O1P U 0 177 160.529 13.412 80.355 1.00737.35 O ATOM 3796 O2P U 0 177 162.610 14.718 79.606 1.00737.35 O ATOM 3797 O5* U 0 177 160.681 14.397 78.056 1.00737.35 O ATOM 3798 C5* U 0 177 160.403 13.125 77.474 1.00737.35 C ATOM 3799 C4* U 0 177 161.456 12.777 76.446 1.00737.35 C ATOM 3800 O4* U 0 177 161.502 13.816 75.432 1.00737.35 O ATOM 3801 C3* U 0 177 162.882 12.696 76.969 1.00737.35 C ATOM 3802 O3* U 0 177 163.147 11.410 77.522 1.00737.35 O ATOM 3803 C2* U 0 177 163.701 12.959 75.710 1.00737.35 C ATOM 3804 O2* U 0 177 163.830 11.819 74.883 1.00737.35 O ATOM 3805 C1* U 0 177 162.842 14.013 75.006 1.00737.35 C ATOM 3806 N1 U 0 177 163.235 15.399 75.313 1.00737.35 N ATOM 3807 C2 U 0 177 164.214 15.991 74.526 1.00737.35 C ATOM 3808 O2 U 0 177 164.765 15.417 73.599 1.00737.35 O ATOM 3809 N3 U 0 177 164.529 17.286 74.866 1.00737.35 N ATOM 3810 C4 U 0 177 163.977 18.033 75.887 1.00737.35 C ATOM 3811 O4 U 0 177 164.345 19.196 76.056 1.00737.35 O ATOM 3812 C5 U 0 177 162.979 17.354 76.654 1.00737.35 C ATOM 3813 C6 U 0 177 162.652 16.094 76.352 1.00737.35 C ATOM 3814 P C 0 178 164.308 11.233 78.621 1.00737.35 P ATOM 3815 O1P C 0 178 164.176 9.863 79.183 1.00737.35 O ATOM 3816 O2P C 0 178 164.285 12.404 79.534 1.00737.35 O ATOM 3817 O5* C 0 178 165.655 11.291 77.772 1.00737.35 O ATOM 3818 C5* C 0 178 165.938 10.308 76.776 1.00737.35 C ATOM 3819 C4* C 0 178 167.057 10.779 75.876 1.00737.35 C ATOM 3820 O4* C 0 178 166.646 12.002 75.207 1.00737.35 O ATOM 3821 C3* C 0 178 168.360 11.146 76.570 1.00737.35 C ATOM 3822 O3* C 0 178 169.168 9.990 76.768 1.00737.35 O ATOM 3823 C2* C 0 178 168.991 12.120 75.581 1.00737.35 C ATOM 3824 O2* C 0 178 169.644 11.475 74.504 1.00737.35 O ATOM 3825 C1* C 0 178 167.759 12.871 75.066 1.00737.35 C ATOM 3826 N1 C 0 178 167.479 14.122 75.797 1.00737.35 N ATOM 3827 C2 C 0 178 168.049 15.320 75.338 1.00737.35 C ATOM 3828 O2 C 0 178 168.776 15.299 74.330 1.00737.35 O ATOM 3829 N3 C 0 178 167.792 16.471 76.005 1.00737.35 N ATOM 3830 C4 C 0 178 167.006 16.457 77.084 1.00737.35 C ATOM 3831 N4 C 0 178 166.780 17.614 77.707 1.00737.35 N ATOM 3832 C5 C 0 178 166.418 15.254 77.573 1.00737.35 C ATOM 3833 C6 C 0 178 166.678 14.123 76.908 1.00737.35 C ATOM 3834 P U 0 179 170.268 9.977 77.940 1.00737.35 P ATOM 3835 O1P U 0 179 170.921 8.643 77.918 1.00737.35 O ATOM 3836 O2P U 0 179 169.629 10.458 79.192 1.00737.35 O ATOM 3837 O5* U 0 179 171.338 11.064 77.478 1.00737.35 O ATOM 3838 C5* U 0 179 172.161 10.846 76.332 1.00737.35 C ATOM 3839 C4* U 0 179 173.077 12.025 76.115 1.00737.35 C ATOM 3840 O4* U 0 179 172.289 13.200 75.785 1.00737.35 O ATOM 3841 C3* U 0 179 173.901 12.444 77.324 1.00737.35 C ATOM 3842 O3* U 0 179 175.098 11.675 77.408 1.00737.35 O ATOM 3843 C2* U 0 179 174.188 13.913 77.032 1.00737.35 C ATOM 3844 O2* U 0 179 175.274 14.102 76.146 1.00737.35 O ATOM 3845 C1* U 0 179 172.888 14.352 76.354 1.00737.35 C ATOM 3846 N1 U 0 179 171.916 14.995 77.258 1.00737.35 N ATOM 3847 C2 U 0 179 172.146 16.315 77.627 1.00737.35 C ATOM 3848 O2 U 0 179 173.113 16.956 77.248 1.00737.35 O ATOM 3849 N3 U 0 179 171.195 16.856 78.459 1.00737.35 N ATOM 3850 C4 U 0 179 170.068 16.234 78.953 1.00737.35 C ATOM 3851 O4 U 0 179 169.306 16.859 79.692 1.00737.35 O ATOM 3852 C5 U 0 179 169.904 14.878 78.532 1.00737.35 C ATOM 3853 C6 U 0 179 170.808 14.317 77.723 1.00737.35 C ATOM 3854 P C 0 180 175.574 11.093 78.829 1.00737.35 P ATOM 3855 O1P C 0 180 176.844 10.358 78.602 1.00737.35 O ATOM 3856 O2P C 0 180 174.422 10.389 79.455 1.00737.35 O ATOM 3857 O5* C 0 180 175.892 12.393 79.693 1.00737.35 O ATOM 3858 C5* C 0 180 176.990 13.242 79.365 1.00737.35 C ATOM 3859 C4* C 0 180 176.897 14.539 80.136 1.00737.35 C ATOM 3860 O4* C 0 180 175.695 15.247 79.733 1.00737.35 O ATOM 3861 C3* C 0 180 176.767 14.397 81.645 1.00737.35 C ATOM 3862 O3* C 0 180 178.046 14.255 82.257 1.00737.35 O ATOM 3863 C2* C 0 180 176.083 15.702 82.034 1.00737.35 C ATOM 3864 O2* C 0 180 176.976 16.794 82.122 1.00737.35 O ATOM 3865 C1* C 0 180 175.129 15.907 80.854 1.00737.35 C ATOM 3866 N1 C 0 180 173.773 15.364 81.085 1.00737.35 N ATOM 3867 C2 C 0 180 172.791 16.199 81.642 1.00737.35 C ATOM 3868 O2 C 0 180 173.082 17.376 81.917 1.00737.35 O ATOM 3869 N3 C 0 180 171.551 15.705 81.865 1.00737.35 N ATOM 3870 C4 C 0 180 171.272 14.439 81.551 1.00737.35 C ATOM 3871 N4 C 0 180 170.034 13.995 81.789 1.00737.35 N ATOM 3872 C5 C 0 180 172.246 13.569 80.983 1.00737.35 C ATOM 3873 C6 C 0 180 173.469 14.068 80.767 1.00737.35 C ATOM 3874 P A 0 181 178.244 13.212 83.465 1.00737.35 P ATOM 3875 O1P A 0 181 177.609 13.802 84.669 1.00737.35 O ATOM 3876 O2P A 0 181 179.677 12.823 83.509 1.00737.35 O ATOM 3877 O5* A 0 181 177.387 11.941 83.026 1.00737.35 O ATOM 3878 C5* A 0 181 177.671 10.637 83.536 1.00737.35 C ATOM 3879 C4* A 0 181 176.402 9.818 83.617 1.00737.35 C ATOM 3880 O4* A 0 181 175.566 10.370 84.662 1.00737.35 O ATOM 3881 C3* A 0 181 175.537 9.842 82.358 1.00737.35 C ATOM 3882 O3* A 0 181 175.821 8.833 81.367 1.00737.35 O ATOM 3883 C2* A 0 181 174.139 9.594 82.917 1.00737.35 C ATOM 3884 O2* A 0 181 173.846 8.222 83.098 1.00737.35 O ATOM 3885 C1* A 0 181 174.206 10.292 84.278 1.00737.35 C ATOM 3886 N9 A 0 181 173.640 11.644 84.295 1.00737.35 N ATOM 3887 C8 A 0 181 174.233 12.817 83.893 1.00737.35 C ATOM 3888 N7 A 0 181 173.466 13.871 84.037 1.00737.35 N ATOM 3889 C5 A 0 181 172.292 13.358 84.568 1.00737.35 C ATOM 3890 C6 A 0 181 171.080 13.966 84.949 1.00737.35 C ATOM 3891 N6 A 0 181 170.848 15.275 84.851 1.00737.35 N ATOM 3892 N1 A 0 181 170.108 13.171 85.443 1.00737.35 N ATOM 3893 C2 A 0 181 170.342 11.856 85.542 1.00737.35 C ATOM 3894 N3 A 0 181 171.435 11.168 85.217 1.00737.35 N ATOM 3895 C4 A 0 181 172.383 11.989 84.730 1.00737.35 C ATOM 3896 P G 0 182 177.002 7.750 81.584 1.00737.35 P ATOM 3897 O1P G 0 182 178.243 8.431 82.026 1.00737.35 O ATOM 3898 O2P G 0 182 177.033 6.915 80.356 1.00737.35 O ATOM 3899 O5* G 0 182 176.441 6.827 82.759 1.00737.35 O ATOM 3900 C5* G 0 182 177.167 6.634 83.971 1.00737.35 C ATOM 3901 C4* G 0 182 176.279 6.940 85.155 1.00737.35 C ATOM 3902 O4* G 0 182 175.040 6.196 85.039 1.00737.35 O ATOM 3903 C3* G 0 182 176.821 6.556 86.523 1.00737.35 C ATOM 3904 O3* G 0 182 177.688 7.571 87.023 1.00737.35 O ATOM 3905 C2* G 0 182 175.546 6.445 87.354 1.00737.35 C ATOM 3906 O2* G 0 182 175.074 7.695 87.817 1.00737.35 O ATOM 3907 C1* G 0 182 174.561 5.871 86.332 1.00737.35 C ATOM 3908 N9 G 0 182 174.396 4.421 86.413 1.00737.35 N ATOM 3909 C8 G 0 182 175.300 3.457 86.035 1.00737.35 C ATOM 3910 N7 G 0 182 174.866 2.242 86.229 1.00737.35 N ATOM 3911 C5 G 0 182 173.597 2.412 86.768 1.00737.35 C ATOM 3912 C6 G 0 182 172.638 1.453 87.184 1.00737.35 C ATOM 3913 O6 G 0 182 172.722 0.218 87.159 1.00737.35 O ATOM 3914 N1 G 0 182 171.484 2.059 87.667 1.00737.35 N ATOM 3915 C2 G 0 182 171.276 3.413 87.744 1.00737.35 C ATOM 3916 N2 G 0 182 170.094 3.804 88.241 1.00737.35 N ATOM 3917 N3 G 0 182 172.163 4.320 87.360 1.00737.35 N ATOM 3918 C4 G 0 182 173.290 3.751 86.886 1.00737.35 C ATOM 3919 P U 0 183 178.759 7.213 88.167 1.00737.35 P ATOM 3920 O1P U 0 183 179.722 6.236 87.593 1.00737.35 O ATOM 3921 O2P U 0 183 178.014 6.864 89.402 1.00737.35 O ATOM 3922 O5* U 0 183 179.518 8.590 88.421 1.00737.35 O ATOM 3923 C5* U 0 183 180.616 8.989 87.604 1.00737.35 C ATOM 3924 C4* U 0 183 180.683 10.497 87.516 1.00737.35 C ATOM 3925 O4* U 0 183 179.531 10.989 86.783 1.00737.35 O ATOM 3926 C3* U 0 183 180.629 11.238 88.843 1.00737.35 C ATOM 3927 O3* U 0 183 181.919 11.317 89.443 1.00737.35 O ATOM 3928 C2* U 0 183 180.103 12.608 88.430 1.00737.35 C ATOM 3929 O2* U 0 183 181.107 13.456 87.907 1.00737.35 O ATOM 3930 C1* U 0 183 179.113 12.232 87.326 1.00737.35 C ATOM 3931 N1 U 0 183 177.722 12.097 87.798 1.00737.35 N ATOM 3932 C2 U 0 183 176.939 13.244 87.841 1.00737.35 C ATOM 3933 O2 U 0 183 177.348 14.346 87.511 1.00737.35 O ATOM 3934 N3 U 0 183 175.655 13.049 88.288 1.00737.35 N ATOM 3935 C4 U 0 183 175.083 11.858 88.687 1.00737.35 C ATOM 3936 O4 U 0 183 173.910 11.846 89.065 1.00737.35 O ATOM 3937 C5 U 0 183 175.952 10.723 88.614 1.00737.35 C ATOM 3938 C6 U 0 183 177.207 10.878 88.185 1.00737.35 C ATOM 3939 P A 0 184 182.064 11.166 91.037 1.00737.35 P ATOM 3940 O1P A 0 184 183.496 11.380 91.372 1.00737.35 O ATOM 3941 O2P A 0 184 181.398 9.904 91.450 1.00737.35 O ATOM 3942 O5* A 0 184 181.222 12.386 91.621 1.00737.35 O ATOM 3943 C5* A 0 184 181.687 13.728 91.488 1.00737.35 C ATOM 3944 C4* A 0 184 180.678 14.693 92.068 1.00737.35 C ATOM 3945 O4* A 0 184 179.460 14.653 91.278 1.00737.35 O ATOM 3946 C3* A 0 184 180.212 14.397 93.484 1.00737.35 C ATOM 3947 O3* A 0 184 181.125 14.912 94.448 1.00737.35 O ATOM 3948 C2* A 0 184 178.869 15.117 93.537 1.00737.35 C ATOM 3949 O2* A 0 184 178.989 16.504 93.778 1.00737.35 O ATOM 3950 C1* A 0 184 178.339 14.880 92.120 1.00737.35 C ATOM 3951 N9 A 0 184 177.437 13.734 92.024 1.00737.35 N ATOM 3952 C8 A 0 184 177.712 12.464 91.573 1.00737.35 C ATOM 3953 N7 A 0 184 176.684 11.652 91.612 1.00737.35 N ATOM 3954 C5 A 0 184 175.659 12.437 92.121 1.00737.35 C ATOM 3955 C6 A 0 184 174.309 12.164 92.406 1.00737.35 C ATOM 3956 N6 A 0 184 173.737 10.976 92.209 1.00737.35 N ATOM 3957 N1 A 0 184 173.558 13.168 92.907 1.00737.35 N ATOM 3958 C2 A 0 184 174.131 14.360 93.105 1.00737.35 C ATOM 3959 N3 A 0 184 175.385 14.741 92.878 1.00737.35 N ATOM 3960 C4 A 0 184 176.106 13.721 92.379 1.00737.35 C ATOM 3961 P C 0 185 181.336 14.134 95.839 1.00737.35 P ATOM 3962 O1P C 0 185 182.214 14.979 96.690 1.00737.35 O ATOM 3963 O2P C 0 185 181.733 12.734 95.538 1.00737.35 O ATOM 3964 O5* C 0 185 179.880 14.111 96.491 1.00737.35 O ATOM 3965 C5* C 0 185 179.235 15.319 96.885 1.00737.35 C ATOM 3966 C4* C 0 185 177.823 15.036 97.348 1.00737.35 C ATOM 3967 O4* C 0 185 177.039 14.524 96.239 1.00737.35 O ATOM 3968 C3* C 0 185 177.679 13.974 98.427 1.00737.35 C ATOM 3969 O3* C 0 185 177.907 14.527 99.720 1.00737.35 O ATOM 3970 C2* C 0 185 176.234 13.522 98.243 1.00737.35 C ATOM 3971 O2* C 0 185 175.298 14.386 98.857 1.00737.35 O ATOM 3972 C1* C 0 185 176.085 13.588 96.722 1.00737.35 C ATOM 3973 N1 C 0 185 176.299 12.292 96.045 1.00737.35 N ATOM 3974 C2 C 0 185 175.217 11.403 95.919 1.00737.35 C ATOM 3975 O2 C 0 185 174.110 11.725 96.379 1.00737.35 O ATOM 3976 N3 C 0 185 175.409 10.215 95.301 1.00737.35 N ATOM 3977 C4 C 0 185 176.611 9.897 94.817 1.00737.35 C ATOM 3978 N4 C 0 185 176.753 8.714 94.214 1.00737.35 N ATOM 3979 C5 C 0 185 177.727 10.779 94.932 1.00737.35 C ATOM 3980 C6 C 0 185 177.529 11.952 95.547 1.00737.35 C ATOM 3981 P C 0 186 178.436 13.584 100.909 1.00737.35 P ATOM 3982 O1P C 0 186 178.737 14.463 102.068 1.00737.35 O ATOM 3983 O2P C 0 186 179.496 12.691 100.373 1.00737.35 O ATOM 3984 O5* C 0 186 177.171 12.688 101.276 1.00737.35 O ATOM 3985 C5* C 0 186 176.034 13.258 101.928 1.00737.35 C ATOM 3986 C4* C 0 186 174.956 12.217 102.110 1.00737.35 C ATOM 3987 O4* C 0 186 174.452 11.806 100.809 1.00737.35 O ATOM 3988 C3* C 0 186 175.389 10.917 102.768 1.00737.35 C ATOM 3989 O3* C 0 186 175.400 11.039 104.186 1.00737.35 O ATOM 3990 C2* C 0 186 174.324 9.940 102.282 1.00737.35 C ATOM 3991 O2* C 0 186 173.119 10.017 103.020 1.00737.35 O ATOM 3992 C1* C 0 186 174.089 10.434 100.852 1.00737.35 C ATOM 3993 N1 C 0 186 174.875 9.700 99.838 1.00737.35 N ATOM 3994 C2 C 0 186 174.337 8.530 99.277 1.00737.35 C ATOM 3995 O2 C 0 186 173.212 8.146 99.639 1.00737.35 O ATOM 3996 N3 C 0 186 175.054 7.850 98.352 1.00737.35 N ATOM 3997 C4 C 0 186 176.259 8.290 97.985 1.00737.35 C ATOM 3998 N4 C 0 186 176.931 7.583 97.073 1.00737.35 N ATOM 3999 C5 C 0 186 176.830 9.475 98.536 1.00737.35 C ATOM 4000 C6 C 0 186 176.112 10.140 99.450 1.00737.35 C ATOM 4001 P U 0 187 176.398 10.124 105.054 1.00737.35 P ATOM 4002 O1P U 0 187 176.249 10.535 106.474 1.00737.35 O ATOM 4003 O2P U 0 187 177.741 10.155 104.421 1.00737.35 O ATOM 4004 O5* U 0 187 175.806 8.654 104.894 1.00737.35 O ATOM 4005 C5* U 0 187 174.535 8.314 105.443 1.00737.35 C ATOM 4006 C4* U 0 187 174.152 6.902 105.064 1.00737.35 C ATOM 4007 O4* U 0 187 173.979 6.817 103.626 1.00737.35 O ATOM 4008 C3* U 0 187 175.176 5.824 105.375 1.00737.35 C ATOM 4009 O3* U 0 187 175.085 5.408 106.735 1.00737.35 O ATOM 4010 C2* U 0 187 174.773 4.712 104.411 1.00737.35 C ATOM 4011 O2* U 0 187 173.687 3.937 104.878 1.00737.35 O ATOM 4012 C1* U 0 187 174.343 5.518 103.181 1.00737.35 C ATOM 4013 N1 U 0 187 175.392 5.635 102.154 1.00737.35 N ATOM 4014 C2 U 0 187 175.485 4.623 101.210 1.00737.35 C ATOM 4015 O2 U 0 187 174.741 3.654 101.194 1.00737.35 O ATOM 4016 N3 U 0 187 176.484 4.785 100.282 1.00737.35 N ATOM 4017 C4 U 0 187 177.379 5.828 100.197 1.00737.35 C ATOM 4018 O4 U 0 187 178.225 5.827 99.300 1.00737.35 O ATOM 4019 C5 U 0 187 177.221 6.833 101.203 1.00737.35 C ATOM 4020 C6 U 0 187 176.258 6.708 102.123 1.00737.35 C ATOM 4021 P G 0 188 176.346 4.697 107.435 1.00737.35 P ATOM 4022 O1P G 0 188 176.017 4.541 108.877 1.00737.35 O ATOM 4023 O2P G 0 188 177.582 5.421 107.042 1.00737.35 O ATOM 4024 O5* G 0 188 176.385 3.248 106.773 1.00737.35 O ATOM 4025 C5* G 0 188 175.367 2.287 107.050 1.00737.35 C ATOM 4026 C4* G 0 188 175.596 1.027 106.247 1.00737.35 C ATOM 4027 O4* G 0 188 175.457 1.320 104.831 1.00737.35 O ATOM 4028 C3* G 0 188 176.978 0.406 106.363 1.00737.35 C ATOM 4029 O3* G 0 188 177.082 -0.411 107.524 1.00737.35 O ATOM 4030 C2* G 0 188 177.072 -0.411 105.080 1.00737.35 C ATOM 4031 O2* G 0 188 176.408 -1.656 105.162 1.00737.35 O ATOM 4032 C1* G 0 188 176.346 0.500 104.087 1.00737.35 C ATOM 4033 N9 G 0 188 177.247 1.361 103.321 1.00737.35 N ATOM 4034 C8 G 0 188 177.510 2.693 103.532 1.00737.35 C ATOM 4035 N7 G 0 188 178.366 3.187 102.680 1.00737.35 N ATOM 4036 C5 G 0 188 178.688 2.118 101.854 1.00737.35 C ATOM 4037 C6 G 0 188 179.568 2.046 100.742 1.00737.35 C ATOM 4038 O6 G 0 188 180.264 2.943 100.249 1.00737.35 O ATOM 4039 N1 G 0 188 179.598 0.768 100.196 1.00737.35 N ATOM 4040 C2 G 0 188 178.871 -0.304 100.655 1.00737.35 C ATOM 4041 N2 G 0 188 179.036 -1.459 99.992 1.00737.35 N ATOM 4042 N3 G 0 188 178.048 -0.250 101.688 1.00737.35 N ATOM 4043 C4 G 0 188 178.004 0.983 102.237 1.00737.35 C ATOM 4044 P A 0 189 178.525 -0.671 108.190 1.00737.35 P ATOM 4045 O1P A 0 189 178.299 -1.456 109.431 1.00737.35 O ATOM 4046 O2P A 0 189 179.250 0.623 108.264 1.00737.35 O ATOM 4047 O5* A 0 189 179.272 -1.601 107.134 1.00737.35 O ATOM 4048 C5* A 0 189 178.872 -2.957 106.943 1.00737.35 C ATOM 4049 C4* A 0 189 179.785 -3.641 105.950 1.00737.35 C ATOM 4050 O4* A 0 189 179.614 -3.044 104.637 1.00737.35 O ATOM 4051 C3* A 0 189 181.275 -3.523 106.221 1.00737.35 C ATOM 4052 O3* A 0 189 181.701 -4.495 107.173 1.00737.35 O ATOM 4053 C2* A 0 189 181.873 -3.767 104.841 1.00737.35 C ATOM 4054 O2* A 0 189 181.948 -5.138 104.500 1.00737.35 O ATOM 4055 C1* A 0 189 180.850 -3.067 103.939 1.00737.35 C ATOM 4056 N9 A 0 189 181.217 -1.692 103.594 1.00737.35 N ATOM 4057 C8 A 0 189 180.938 -0.542 104.292 1.00737.35 C ATOM 4058 N7 A 0 189 181.402 0.546 103.728 1.00737.35 N ATOM 4059 C5 A 0 189 182.028 0.084 102.579 1.00737.35 C ATOM 4060 C6 A 0 189 182.718 0.745 101.546 1.00737.35 C ATOM 4061 N6 A 0 189 182.896 2.067 101.505 1.00737.35 N ATOM 4062 N1 A 0 189 183.222 -0.007 100.545 1.00737.35 N ATOM 4063 C2 A 0 189 183.041 -1.332 100.587 1.00737.35 C ATOM 4064 N3 A 0 189 182.413 -2.070 101.500 1.00737.35 N ATOM 4065 C4 A 0 189 181.922 -1.293 102.483 1.00737.35 C ATOM 4066 P A 0 190 183.020 -4.229 108.054 1.00737.35 P ATOM 4067 O1P A 0 190 183.006 -5.207 109.170 1.00737.35 O ATOM 4068 O2P A 0 190 183.108 -2.775 108.355 1.00737.35 O ATOM 4069 O5* A 0 190 184.219 -4.606 107.074 1.00737.35 O ATOM 4070 C5* A 0 190 184.386 -5.944 106.611 1.00737.35 C ATOM 4071 C4* A 0 190 185.314 -5.977 105.419 1.00737.35 C ATOM 4072 O4* A 0 190 184.740 -5.193 104.339 1.00737.35 O ATOM 4073 C3* A 0 190 186.694 -5.374 105.621 1.00737.35 C ATOM 4074 O3* A 0 190 187.581 -6.307 106.231 1.00737.35 O ATOM 4075 C2* A 0 190 187.106 -5.040 104.192 1.00737.35 C ATOM 4076 O2* A 0 190 187.562 -6.168 103.470 1.00737.35 O ATOM 4077 C1* A 0 190 185.775 -4.563 103.602 1.00737.35 C ATOM 4078 N9 A 0 190 185.599 -3.112 103.698 1.00737.35 N ATOM 4079 C8 A 0 190 185.022 -2.392 104.715 1.00737.35 C ATOM 4080 N7 A 0 190 185.019 -1.095 104.513 1.00737.35 N ATOM 4081 C5 A 0 190 185.633 -0.951 103.276 1.00737.35 C ATOM 4082 C6 A 0 190 185.938 0.180 102.498 1.00737.35 C ATOM 4083 N6 A 0 190 185.653 1.432 102.866 1.00737.35 N ATOM 4084 N1 A 0 190 186.551 -0.020 101.314 1.00737.35 N ATOM 4085 C2 A 0 190 186.839 -1.275 100.944 1.00737.35 C ATOM 4086 N3 A 0 190 186.606 -2.418 101.588 1.00737.35 N ATOM 4087 C4 A 0 190 185.993 -2.184 102.760 1.00737.35 C ATOM 4088 P G 0 191 188.953 -5.792 106.898 1.00737.35 P ATOM 4089 O1P G 0 191 189.474 -6.900 107.739 1.00737.35 O ATOM 4090 O2P G 0 191 188.718 -4.458 107.510 1.00737.35 O ATOM 4091 O5* G 0 191 189.935 -5.605 105.658 1.00737.35 O ATOM 4092 C5* G 0 191 190.244 -6.703 104.802 1.00737.35 C ATOM 4093 C4* G 0 191 190.916 -6.219 103.537 1.00737.35 C ATOM 4094 O4* G 0 191 190.033 -5.302 102.842 1.00737.35 O ATOM 4095 C3* G 0 191 192.202 -5.429 103.714 1.00737.35 C ATOM 4096 O3* G 0 191 193.311 -6.316 103.870 1.00737.35 O ATOM 4097 C2* G 0 191 192.281 -4.648 102.406 1.00737.35 C ATOM 4098 O2* G 0 191 192.791 -5.411 101.331 1.00737.35 O ATOM 4099 C1* G 0 191 190.804 -4.340 102.142 1.00737.35 C ATOM 4100 N9 G 0 191 190.390 -3.002 102.559 1.00737.35 N ATOM 4101 C8 G 0 191 189.909 -2.622 103.792 1.00737.35 C ATOM 4102 N7 G 0 191 189.617 -1.352 103.859 1.00737.35 N ATOM 4103 C5 G 0 191 189.924 -0.862 102.597 1.00737.35 C ATOM 4104 C6 G 0 191 189.815 0.453 102.068 1.00737.35 C ATOM 4105 O6 G 0 191 189.409 1.480 102.625 1.00737.35 O ATOM 4106 N1 G 0 191 190.238 0.507 100.744 1.00737.35 N ATOM 4107 C2 G 0 191 190.705 -0.561 100.018 1.00737.35 C ATOM 4108 N2 G 0 191 191.068 -0.304 98.753 1.00737.35 N ATOM 4109 N3 G 0 191 190.808 -1.790 100.498 1.00737.35 N ATOM 4110 C4 G 0 191 190.405 -1.867 101.785 1.00737.35 C ATOM 4111 P G 0 192 194.645 -5.809 104.613 1.00737.35 P ATOM 4112 O1P G 0 192 195.457 -7.014 104.923 1.00737.35 O ATOM 4113 O2P G 0 192 194.262 -4.883 105.709 1.00737.35 O ATOM 4114 O5* G 0 192 195.417 -4.969 103.499 1.00737.35 O ATOM 4115 C5* G 0 192 195.577 -5.477 102.175 1.00737.35 C ATOM 4116 C4* G 0 192 196.126 -4.407 101.264 1.00737.35 C ATOM 4117 O4* G 0 192 195.256 -3.247 101.315 1.00737.35 O ATOM 4118 C3* G 0 192 197.505 -3.879 101.620 1.00737.35 C ATOM 4119 O3* G 0 192 198.546 -4.782 101.201 1.00737.35 O ATOM 4120 C2* G 0 192 197.496 -2.446 101.078 1.00737.35 C ATOM 4121 O2* G 0 192 197.850 -2.268 99.725 1.00737.35 O ATOM 4122 C1* G 0 192 196.027 -2.057 101.258 1.00737.35 C ATOM 4123 N9 G 0 192 195.756 -1.274 102.462 1.00737.35 N ATOM 4124 C8 G 0 192 195.619 -1.745 103.747 1.00737.35 C ATOM 4125 N7 G 0 192 195.376 -0.800 104.613 1.00737.35 N ATOM 4126 C5 G 0 192 195.355 0.365 103.859 1.00737.35 C ATOM 4127 C6 G 0 192 195.137 1.710 104.254 1.00737.35 C ATOM 4128 O6 G 0 192 194.914 2.155 105.386 1.00737.35 O ATOM 4129 N1 G 0 192 195.199 2.578 103.168 1.00737.35 N ATOM 4130 C2 G 0 192 195.440 2.201 101.871 1.00737.35 C ATOM 4131 N2 G 0 192 195.459 3.187 100.963 1.00737.35 N ATOM 4132 N3 G 0 192 195.645 0.951 101.490 1.00737.35 N ATOM 4133 C4 G 0 192 195.589 0.091 102.528 1.00737.35 C ATOM 4134 P A 0 193 198.984 -4.892 99.649 1.00737.35 P ATOM 4135 O1P A 0 193 199.710 -6.183 99.529 1.00737.35 O ATOM 4136 O2P A 0 193 199.666 -3.639 99.226 1.00737.35 O ATOM 4137 O5* A 0 193 197.611 -5.069 98.853 1.00737.35 O ATOM 4138 C5* A 0 193 197.215 -4.149 97.836 1.00737.35 C ATOM 4139 C4* A 0 193 195.819 -3.641 98.115 1.00737.35 C ATOM 4140 O4* A 0 193 195.552 -2.455 97.324 1.00737.35 O ATOM 4141 C3* A 0 193 194.668 -4.576 97.784 1.00737.35 C ATOM 4142 O3* A 0 193 194.460 -5.538 98.817 1.00737.35 O ATOM 4143 C2* A 0 193 193.494 -3.607 97.664 1.00737.35 C ATOM 4144 O2* A 0 193 192.930 -3.263 98.915 1.00737.35 O ATOM 4145 C1* A 0 193 194.164 -2.379 97.043 1.00737.35 C ATOM 4146 N9 A 0 193 193.982 -2.275 95.596 1.00737.35 N ATOM 4147 C8 A 0 193 194.788 -2.766 94.597 1.00737.35 C ATOM 4148 N7 A 0 193 194.354 -2.504 93.388 1.00737.35 N ATOM 4149 C5 A 0 193 193.180 -1.794 93.605 1.00737.35 C ATOM 4150 C6 A 0 193 192.242 -1.225 92.724 1.00737.35 C ATOM 4151 N6 A 0 193 192.341 -1.290 91.393 1.00737.35 N ATOM 4152 N1 A 0 193 191.182 -0.584 93.261 1.00737.35 N ATOM 4153 C2 A 0 193 191.083 -0.522 94.595 1.00737.35 C ATOM 4154 N3 A 0 193 191.896 -1.014 95.526 1.00737.35 N ATOM 4155 C4 A 0 193 192.939 -1.646 94.957 1.00737.35 C ATOM 4156 P G 0 194 193.492 -6.797 98.555 1.00737.35 P ATOM 4157 O1P G 0 194 193.537 -7.648 99.767 1.00737.35 O ATOM 4158 O2P G 0 194 193.829 -7.384 97.231 1.00737.35 O ATOM 4159 O5* G 0 194 192.043 -6.141 98.466 1.00737.35 O ATOM 4160 C5* G 0 194 190.978 -6.789 97.773 1.00737.35 C ATOM 4161 C4* G 0 194 189.937 -5.774 97.356 1.00737.35 C ATOM 4162 O4* G 0 194 190.579 -4.738 96.562 1.00737.35 O ATOM 4163 C3* G 0 194 188.827 -6.299 96.460 1.00737.35 C ATOM 4164 O3* G 0 194 187.774 -6.877 97.227 1.00737.35 O ATOM 4165 C2* G 0 194 188.373 -5.040 95.735 1.00737.35 C ATOM 4166 O2* G 0 194 187.502 -4.236 96.508 1.00737.35 O ATOM 4167 C1* G 0 194 189.705 -4.314 95.528 1.00737.35 C ATOM 4168 N9 G 0 194 190.326 -4.614 94.241 1.00737.35 N ATOM 4169 C8 G 0 194 191.275 -5.576 93.979 1.00737.35 C ATOM 4170 N7 G 0 194 191.633 -5.612 92.725 1.00737.35 N ATOM 4171 C5 G 0 194 190.882 -4.617 92.122 1.00737.35 C ATOM 4172 C6 G 0 194 190.837 -4.192 90.769 1.00737.35 C ATOM 4173 O6 G 0 194 191.473 -4.628 89.803 1.00737.35 O ATOM 4174 N1 G 0 194 189.934 -3.149 90.591 1.00737.35 N ATOM 4175 C2 G 0 194 189.168 -2.588 91.582 1.00737.35 C ATOM 4176 N2 G 0 194 188.355 -1.591 91.208 1.00737.35 N ATOM 4177 N3 G 0 194 189.197 -2.978 92.845 1.00737.35 N ATOM 4178 C4 G 0 194 190.070 -3.988 93.044 1.00737.35 C ATOM 4179 P A 0 195 186.847 -8.018 96.575 1.00737.35 P ATOM 4180 O1P A 0 195 185.811 -8.372 97.578 1.00737.35 O ATOM 4181 O2P A 0 195 187.728 -9.083 96.026 1.00737.35 O ATOM 4182 O5* A 0 195 186.134 -7.286 95.350 1.00737.35 O ATOM 4183 C5* A 0 195 185.100 -6.328 95.569 1.00737.35 C ATOM 4184 C4* A 0 195 184.548 -5.838 94.248 1.00737.35 C ATOM 4185 O4* A 0 195 185.574 -5.098 93.539 1.00737.35 O ATOM 4186 C3* A 0 195 184.120 -6.919 93.271 1.00737.35 C ATOM 4187 O3* A 0 195 182.792 -7.357 93.541 1.00737.35 O ATOM 4188 C2* A 0 195 184.209 -6.202 91.928 1.00737.35 C ATOM 4189 O2* A 0 195 183.064 -5.427 91.631 1.00737.35 O ATOM 4190 C1* A 0 195 185.417 -5.285 92.141 1.00737.35 C ATOM 4191 N9 A 0 195 186.667 -5.815 91.594 1.00737.35 N ATOM 4192 C8 A 0 195 187.684 -6.458 92.258 1.00737.35 C ATOM 4193 N7 A 0 195 188.681 -6.808 91.485 1.00737.35 N ATOM 4194 C5 A 0 195 188.298 -6.371 90.223 1.00737.35 C ATOM 4195 C6 A 0 195 188.923 -6.441 88.966 1.00737.35 C ATOM 4196 N6 A 0 195 190.118 -7.001 88.763 1.00737.35 N ATOM 4197 N1 A 0 195 188.272 -5.908 87.910 1.00737.35 N ATOM 4198 C2 A 0 195 187.074 -5.347 88.116 1.00737.35 C ATOM 4199 N3 A 0 195 186.385 -5.218 89.245 1.00737.35 N ATOM 4200 C4 A 0 195 187.060 -5.756 90.276 1.00737.35 C ATOM 4201 P A 0 196 182.442 -8.925 93.497 1.00737.35 P ATOM 4202 O1P A 0 196 180.963 -9.050 93.492 1.00737.35 O ATOM 4203 O2P A 0 196 183.231 -9.609 94.553 1.00737.35 O ATOM 4204 O5* A 0 196 182.991 -9.405 92.081 1.00737.35 O ATOM 4205 C5* A 0 196 182.397 -8.946 90.866 1.00737.35 C ATOM 4206 C4* A 0 196 183.287 -9.282 89.690 1.00737.35 C ATOM 4207 O4* A 0 196 184.532 -8.545 89.801 1.00737.35 O ATOM 4208 C3* A 0 196 183.713 -10.738 89.594 1.00737.35 C ATOM 4209 O3* A 0 196 182.727 -11.517 88.923 1.00737.35 O ATOM 4210 C2* A 0 196 185.010 -10.646 88.800 1.00737.35 C ATOM 4211 O2* A 0 196 184.803 -10.524 87.405 1.00737.35 O ATOM 4212 C1* A 0 196 185.609 -9.348 89.351 1.00737.35 C ATOM 4213 N9 A 0 196 186.531 -9.552 90.470 1.00737.35 N ATOM 4214 C8 A 0 196 186.239 -9.573 91.813 1.00737.35 C ATOM 4215 N7 A 0 196 187.282 -9.767 92.580 1.00737.35 N ATOM 4216 C5 A 0 196 188.336 -9.887 91.683 1.00737.35 C ATOM 4217 C6 A 0 196 189.714 -10.102 91.866 1.00737.35 C ATOM 4218 N6 A 0 196 190.288 -10.237 93.063 1.00737.35 N ATOM 4219 N1 A 0 196 190.490 -10.174 90.763 1.00737.35 N ATOM 4220 C2 A 0 196 189.913 -10.035 89.566 1.00737.35 C ATOM 4221 N3 A 0 196 188.634 -9.825 89.263 1.00737.35 N ATOM 4222 C4 A 0 196 187.887 -9.761 90.380 1.00737.35 C ATOM 4223 P G 0 197 182.517 -13.058 89.329 1.00737.35 P ATOM 4224 O1P G 0 197 181.448 -13.604 88.454 1.00737.35 O ATOM 4225 O2P G 0 197 182.368 -13.140 90.805 1.00737.35 O ATOM 4226 O5* G 0 197 183.896 -13.747 88.928 1.00737.35 O ATOM 4227 C5* G 0 197 184.266 -13.907 87.559 1.00737.35 C ATOM 4228 C4* G 0 197 185.676 -14.440 87.453 1.00737.35 C ATOM 4229 O4* G 0 197 186.611 -13.454 87.962 1.00737.35 O ATOM 4230 C3* G 0 197 185.974 -15.688 88.268 1.00737.35 C ATOM 4231 O3* G 0 197 185.572 -16.864 87.578 1.00737.35 O ATOM 4232 C2* G 0 197 187.488 -15.618 88.419 1.00737.35 C ATOM 4233 O2* G 0 197 188.184 -16.088 87.279 1.00737.35 O ATOM 4234 C1* G 0 197 187.708 -14.112 88.578 1.00737.35 C ATOM 4235 N9 G 0 197 187.784 -13.691 89.975 1.00737.35 N ATOM 4236 C8 G 0 197 186.792 -13.109 90.730 1.00737.35 C ATOM 4237 N7 G 0 197 187.161 -12.853 91.953 1.00737.35 N ATOM 4238 C5 G 0 197 188.479 -13.288 92.014 1.00737.35 C ATOM 4239 C6 G 0 197 189.404 -13.273 93.090 1.00737.35 C ATOM 4240 O6 G 0 197 189.241 -12.855 94.242 1.00737.35 O ATOM 4241 N1 G 0 197 190.629 -13.814 92.717 1.00737.35 N ATOM 4242 C2 G 0 197 190.929 -14.308 91.471 1.00737.35 C ATOM 4243 N2 G 0 197 192.170 -14.792 91.308 1.00737.35 N ATOM 4244 N3 G 0 197 190.076 -14.329 90.460 1.00737.35 N ATOM 4245 C4 G 0 197 188.878 -13.808 90.800 1.00737.35 C ATOM 4246 P A 0 198 184.782 -18.022 88.364 1.00737.35 P ATOM 4247 O1P A 0 198 183.344 -17.650 88.376 1.00737.35 O ATOM 4248 O2P A 0 198 185.482 -18.287 89.647 1.00737.35 O ATOM 4249 O5* A 0 198 184.956 -19.300 87.435 1.00737.35 O ATOM 4250 C5* A 0 198 184.639 -19.246 86.045 1.00737.35 C ATOM 4251 C4* A 0 198 185.614 -20.084 85.252 1.00737.35 C ATOM 4252 O4* A 0 198 186.947 -19.521 85.377 1.00737.35 O ATOM 4253 C3* A 0 198 185.755 -21.528 85.707 1.00737.35 C ATOM 4254 O3* A 0 198 184.679 -22.348 85.234 1.00737.35 O ATOM 4255 C2* A 0 198 187.174 -21.894 85.277 1.00737.35 C ATOM 4256 O2* A 0 198 187.320 -22.321 83.939 1.00737.35 O ATOM 4257 C1* A 0 198 187.905 -20.564 85.482 1.00737.35 C ATOM 4258 N9 A 0 198 188.565 -20.443 86.783 1.00737.35 N ATOM 4259 C8 A 0 198 187.986 -20.233 88.011 1.00737.35 C ATOM 4260 N7 A 0 198 188.844 -20.160 88.998 1.00737.35 N ATOM 4261 C5 A 0 198 190.076 -20.333 88.380 1.00737.35 C ATOM 4262 C6 A 0 198 191.390 -20.356 88.881 1.00737.35 C ATOM 4263 N6 A 0 198 191.694 -20.196 90.169 1.00737.35 N ATOM 4264 N1 A 0 198 192.392 -20.549 88.000 1.00737.35 N ATOM 4265 C2 A 0 198 192.087 -20.709 86.706 1.00737.35 C ATOM 4266 N3 A 0 198 190.896 -20.707 86.114 1.00737.35 N ATOM 4267 C4 A 0 198 189.919 -20.512 87.017 1.00737.35 C ATOM 4268 P A 0 199 184.467 -22.605 83.654 1.00737.35 P ATOM 4269 O1P A 0 199 184.619 -24.064 83.422 1.00737.35 O ATOM 4270 O2P A 0 199 185.270 -21.646 82.850 1.00737.35 O ATOM 4271 O5* A 0 199 182.937 -22.226 83.422 1.00737.35 O ATOM 4272 C5* A 0 199 182.349 -21.117 84.103 1.00737.35 C ATOM 4273 C4* A 0 199 181.966 -20.036 83.118 1.00737.35 C ATOM 4274 O4* A 0 199 183.160 -19.565 82.441 1.00737.35 O ATOM 4275 C3* A 0 199 181.041 -20.470 81.996 1.00737.35 C ATOM 4276 O3* A 0 199 179.682 -20.418 82.413 1.00737.35 O ATOM 4277 C2* A 0 199 181.338 -19.437 80.915 1.00737.35 C ATOM 4278 O2* A 0 199 180.665 -18.211 81.117 1.00737.35 O ATOM 4279 C1* A 0 199 182.847 -19.234 81.096 1.00737.35 C ATOM 4280 N9 A 0 199 183.663 -20.073 80.218 1.00737.35 N ATOM 4281 C8 A 0 199 183.695 -21.444 80.142 1.00737.35 C ATOM 4282 N7 A 0 199 184.535 -21.907 79.248 1.00737.35 N ATOM 4283 C5 A 0 199 185.097 -20.764 78.696 1.00737.35 C ATOM 4284 C6 A 0 199 186.060 -20.576 77.692 1.00737.35 C ATOM 4285 N6 A 0 199 186.653 -21.576 77.036 1.00737.35 N ATOM 4286 N1 A 0 199 186.401 -19.307 77.379 1.00737.35 N ATOM 4287 C2 A 0 199 185.806 -18.303 78.034 1.00737.35 C ATOM 4288 N3 A 0 199 184.886 -18.352 78.994 1.00737.35 N ATOM 4289 C4 A 0 199 184.569 -19.627 79.282 1.00737.35 C ATOM 4290 P A 0 200 178.897 -21.784 82.740 1.00737.35 P ATOM 4291 O1P A 0 200 179.023 -22.020 84.200 1.00737.35 O ATOM 4292 O2P A 0 200 179.341 -22.834 81.786 1.00737.35 O ATOM 4293 O5* A 0 200 177.372 -21.443 82.427 1.00737.35 O ATOM 4294 C5* A 0 200 176.992 -20.868 81.179 1.00737.35 C ATOM 4295 C4* A 0 200 176.741 -21.954 80.160 1.00737.35 C ATOM 4296 O4* A 0 200 175.780 -22.900 80.690 1.00737.35 O ATOM 4297 C3* A 0 200 176.143 -21.500 78.840 1.00737.35 C ATOM 4298 O3* A 0 200 177.168 -21.042 77.961 1.00737.35 O ATOM 4299 C2* A 0 200 175.479 -22.776 78.332 1.00737.35 C ATOM 4300 O2* A 0 200 176.385 -23.655 77.699 1.00737.35 O ATOM 4301 C1* A 0 200 174.977 -23.404 79.637 1.00737.35 C ATOM 4302 N9 A 0 200 173.576 -23.113 79.949 1.00737.35 N ATOM 4303 C8 A 0 200 173.002 -21.895 80.225 1.00737.35 C ATOM 4304 N7 A 0 200 171.717 -21.961 80.472 1.00737.35 N ATOM 4305 C5 A 0 200 171.424 -23.314 80.352 1.00737.35 C ATOM 4306 C6 A 0 200 170.229 -24.039 80.496 1.00737.35 C ATOM 4307 N6 A 0 200 169.056 -23.480 80.806 1.00737.35 N ATOM 4308 N1 A 0 200 170.279 -25.374 80.308 1.00737.35 N ATOM 4309 C2 A 0 200 171.453 -25.935 79.997 1.00737.35 C ATOM 4310 N3 A 0 200 172.642 -25.360 79.832 1.00737.35 N ATOM 4311 C4 A 0 200 172.561 -24.032 80.027 1.00737.35 C ATOM 4312 P G 0 201 176.801 -20.066 76.737 1.00737.35 P ATOM 4313 O1P G 0 201 175.578 -19.299 77.101 1.00737.35 O ATOM 4314 O2P G 0 201 176.810 -20.873 75.491 1.00737.35 O ATOM 4315 O5* G 0 201 178.026 -19.052 76.676 1.00737.35 O ATOM 4316 C5* G 0 201 178.155 -18.000 77.634 1.00737.35 C ATOM 4317 C4* G 0 201 179.400 -17.187 77.362 1.00737.35 C ATOM 4318 O4* G 0 201 180.578 -18.007 77.584 1.00737.35 O ATOM 4319 C3* G 0 201 179.568 -16.667 75.942 1.00737.35 C ATOM 4320 O3* G 0 201 178.832 -15.462 75.748 1.00737.35 O ATOM 4321 C2* G 0 201 181.074 -16.438 75.862 1.00737.35 C ATOM 4322 O2* G 0 201 181.481 -15.216 76.446 1.00737.35 O ATOM 4323 C1* G 0 201 181.608 -17.609 76.690 1.00737.35 C ATOM 4324 N9 G 0 201 182.007 -18.765 75.890 1.00737.35 N ATOM 4325 C8 G 0 201 181.265 -19.894 75.628 1.00737.35 C ATOM 4326 N7 G 0 201 181.896 -20.759 74.880 1.00737.35 N ATOM 4327 C5 G 0 201 183.129 -20.167 74.633 1.00737.35 C ATOM 4328 C6 G 0 201 184.237 -20.634 73.880 1.00737.35 C ATOM 4329 O6 G 0 201 184.358 -21.701 73.261 1.00737.35 O ATOM 4330 N1 G 0 201 185.283 -19.717 73.888 1.00737.35 N ATOM 4331 C2 G 0 201 185.268 -18.507 74.536 1.00737.35 C ATOM 4332 N2 G 0 201 186.378 -17.762 74.421 1.00737.35 N ATOM 4333 N3 G 0 201 184.242 -18.060 75.241 1.00737.35 N ATOM 4334 C4 G 0 201 183.214 -18.934 75.248 1.00737.35 C ATOM 4335 P A 0 202 178.354 -15.049 74.268 1.00737.35 P ATOM 4336 O1P A 0 202 177.406 -13.913 74.416 1.00737.35 O ATOM 4337 O2P A 0 202 177.922 -16.272 73.546 1.00737.35 O ATOM 4338 O5* A 0 202 179.680 -14.502 73.574 1.00737.35 O ATOM 4339 C5* A 0 202 180.319 -13.318 74.047 1.00737.35 C ATOM 4340 C4* A 0 202 181.719 -13.212 73.489 1.00737.35 C ATOM 4341 O4* A 0 202 182.491 -14.367 73.917 1.00737.35 O ATOM 4342 C3* A 0 202 181.841 -13.226 71.973 1.00737.35 C ATOM 4343 O3* A 0 202 181.643 -11.929 71.421 1.00737.35 O ATOM 4344 C2* A 0 202 183.275 -13.699 71.778 1.00737.35 C ATOM 4345 O2* A 0 202 184.229 -12.670 71.960 1.00737.35 O ATOM 4346 C1* A 0 202 183.410 -14.732 72.898 1.00737.35 C ATOM 4347 N9 A 0 202 183.102 -16.095 72.455 1.00737.35 N ATOM 4348 C8 A 0 202 181.941 -16.806 72.631 1.00737.35 C ATOM 4349 N7 A 0 202 181.970 -18.009 72.112 1.00737.35 N ATOM 4350 C5 A 0 202 183.239 -18.100 71.554 1.00737.35 C ATOM 4351 C6 A 0 202 183.892 -19.127 70.851 1.00737.35 C ATOM 4352 N6 A 0 202 183.333 -20.309 70.579 1.00737.35 N ATOM 4353 N1 A 0 202 185.155 -18.898 70.431 1.00737.35 N ATOM 4354 C2 A 0 202 185.714 -17.713 70.703 1.00737.35 C ATOM 4355 N3 A 0 202 185.204 -16.669 71.356 1.00737.35 N ATOM 4356 C4 A 0 202 183.949 -16.928 71.759 1.00737.35 C ATOM 4357 P G 0 203 180.898 -11.767 70.001 1.00737.35 P ATOM 4358 O1P G 0 203 181.022 -10.341 69.602 1.00737.35 O ATOM 4359 O2P G 0 203 179.550 -12.381 70.109 1.00737.35 O ATOM 4360 O5* G 0 203 181.768 -12.643 68.991 1.00737.35 O ATOM 4361 C5* G 0 203 183.152 -12.369 68.785 1.00737.35 C ATOM 4362 C4* G 0 203 183.851 -13.589 68.226 1.00737.35 C ATOM 4363 O4* G 0 203 183.636 -14.710 69.129 1.00737.35 O ATOM 4364 C3* G 0 203 183.352 -14.090 66.878 1.00737.35 C ATOM 4365 O3* G 0 203 183.991 -13.393 65.810 1.00737.35 O ATOM 4366 C2* G 0 203 183.750 -15.560 66.919 1.00737.35 C ATOM 4367 O2* G 0 203 185.120 -15.774 66.639 1.00737.35 O ATOM 4368 C1* G 0 203 183.477 -15.905 68.384 1.00737.35 C ATOM 4369 N9 G 0 203 182.130 -16.422 68.615 1.00737.35 N ATOM 4370 C8 G 0 203 181.047 -15.730 69.105 1.00737.35 C ATOM 4371 N7 G 0 203 179.970 -16.464 69.199 1.00737.35 N ATOM 4372 C5 G 0 203 180.365 -17.715 68.746 1.00737.35 C ATOM 4373 C6 G 0 203 179.627 -18.920 68.616 1.00737.35 C ATOM 4374 O6 G 0 203 178.436 -19.128 68.883 1.00737.35 O ATOM 4375 N1 G 0 203 180.415 -19.950 68.114 1.00737.35 N ATOM 4376 C2 G 0 203 181.741 -19.839 67.779 1.00737.35 C ATOM 4377 N2 G 0 203 182.327 -20.949 67.312 1.00737.35 N ATOM 4378 N3 G 0 203 182.441 -18.723 67.897 1.00737.35 N ATOM 4379 C4 G 0 203 181.694 -17.707 68.382 1.00737.35 C ATOM 4380 P A 0 204 183.328 -13.390 64.343 1.00737.35 P ATOM 4381 O1P A 0 204 184.087 -12.414 63.521 1.00737.35 O ATOM 4382 O2P A 0 204 181.856 -13.239 64.486 1.00737.35 O ATOM 4383 O5* A 0 204 183.626 -14.850 63.775 1.00737.35 O ATOM 4384 C5* A 0 204 184.954 -15.371 63.760 1.00737.35 C ATOM 4385 C4* A 0 204 184.932 -16.868 63.558 1.00737.35 C ATOM 4386 O4* A 0 204 184.099 -17.475 64.582 1.00737.35 O ATOM 4387 C3* A 0 204 184.340 -17.358 62.246 1.00737.35 C ATOM 4388 O3* A 0 204 185.347 -17.344 61.235 1.00737.35 O ATOM 4389 C2* A 0 204 183.884 -18.773 62.596 1.00737.35 C ATOM 4390 O2* A 0 204 184.921 -19.731 62.536 1.00737.35 O ATOM 4391 C1* A 0 204 183.427 -18.602 64.047 1.00737.35 C ATOM 4392 N9 A 0 204 181.986 -18.400 64.192 1.00737.35 N ATOM 4393 C8 A 0 204 181.289 -17.213 64.209 1.00737.35 C ATOM 4394 N7 A 0 204 179.995 -17.363 64.362 1.00737.35 N ATOM 4395 C5 A 0 204 179.825 -18.738 64.450 1.00737.35 C ATOM 4396 C6 A 0 204 178.684 -19.541 64.619 1.00737.35 C ATOM 4397 N6 A 0 204 177.446 -19.054 64.739 1.00737.35 N ATOM 4398 N1 A 0 204 178.860 -20.879 64.665 1.00737.35 N ATOM 4399 C2 A 0 204 180.101 -21.368 64.547 1.00737.35 C ATOM 4400 N3 A 0 204 181.250 -20.715 64.387 1.00737.35 N ATOM 4401 C4 A 0 204 181.041 -19.388 64.345 1.00737.35 C ATOM 4402 P A 0 205 185.006 -17.837 59.740 1.00737.35 P ATOM 4403 O1P A 0 205 185.599 -16.836 58.816 1.00737.35 O ATOM 4404 O2P A 0 205 183.559 -18.157 59.642 1.00737.35 O ATOM 4405 O5* A 0 205 185.824 -19.199 59.610 1.00737.35 O ATOM 4406 C5* A 0 205 186.679 -19.447 58.494 1.00737.35 C ATOM 4407 C4* A 0 205 188.018 -19.970 58.962 1.00737.35 C ATOM 4408 O4* A 0 205 188.669 -18.954 59.770 1.00737.35 O ATOM 4409 C3* A 0 205 187.973 -21.193 59.865 1.00737.35 C ATOM 4410 O3* A 0 205 187.907 -22.392 59.097 1.00737.35 O ATOM 4411 C2* A 0 205 189.299 -21.089 60.617 1.00737.35 C ATOM 4412 O2* A 0 205 190.397 -21.585 59.880 1.00737.35 O ATOM 4413 C1* A 0 205 189.435 -19.572 60.790 1.00737.35 C ATOM 4414 N9 A 0 205 188.972 -19.068 62.084 1.00737.35 N ATOM 4415 C8 A 0 205 187.795 -19.352 62.736 1.00737.35 C ATOM 4416 N7 A 0 205 187.667 -18.743 63.888 1.00737.35 N ATOM 4417 C5 A 0 205 188.837 -18.005 64.008 1.00737.35 C ATOM 4418 C6 A 0 205 189.311 -17.140 65.008 1.00737.35 C ATOM 4419 N6 A 0 205 188.638 -16.862 66.127 1.00737.35 N ATOM 4420 N1 A 0 205 190.518 -16.562 64.821 1.00737.35 N ATOM 4421 C2 A 0 205 191.193 -16.843 63.699 1.00737.35 C ATOM 4422 N3 A 0 205 190.854 -17.638 62.686 1.00737.35 N ATOM 4423 C4 A 0 205 189.650 -18.195 62.903 1.00737.35 C ATOM 4424 P U 0 206 186.588 -23.310 59.162 1.00737.35 P ATOM 4425 O1P U 0 206 186.939 -24.626 58.569 1.00737.35 O ATOM 4426 O2P U 0 206 185.454 -22.533 58.598 1.00737.35 O ATOM 4427 O5* U 0 206 186.321 -23.518 60.720 1.00737.35 O ATOM 4428 C5* U 0 206 187.218 -24.279 61.527 1.00737.35 C ATOM 4429 C4* U 0 206 186.536 -24.691 62.810 1.00737.35 C ATOM 4430 O4* U 0 206 185.336 -25.447 62.492 1.00737.35 O ATOM 4431 C3* U 0 206 187.336 -25.617 63.713 1.00737.35 C ATOM 4432 O3* U 0 206 188.215 -24.872 64.552 1.00737.35 O ATOM 4433 C2* U 0 206 186.241 -26.315 64.512 1.00737.35 C ATOM 4434 O2* U 0 206 185.758 -25.535 65.591 1.00737.35 O ATOM 4435 C1* U 0 206 185.145 -26.472 63.456 1.00737.35 C ATOM 4436 N1 U 0 206 185.170 -27.776 62.771 1.00737.35 N ATOM 4437 C2 U 0 206 184.470 -28.828 63.352 1.00737.35 C ATOM 4438 O2 U 0 206 183.839 -28.716 64.393 1.00737.35 O ATOM 4439 N3 U 0 206 184.534 -30.014 62.666 1.00737.35 N ATOM 4440 C4 U 0 206 185.209 -30.259 61.488 1.00737.35 C ATOM 4441 O4 U 0 206 185.171 -31.387 60.992 1.00737.35 O ATOM 4442 C5 U 0 206 185.906 -29.132 60.951 1.00737.35 C ATOM 4443 C6 U 0 206 185.866 -27.960 61.594 1.00737.35 C ATOM 4444 P U 0 207 189.455 -25.608 65.262 1.00737.35 P ATOM 4445 O1P U 0 207 190.305 -26.192 64.192 1.00737.35 O ATOM 4446 O2P U 0 207 188.916 -26.488 66.331 1.00737.35 O ATOM 4447 O5* U 0 207 190.257 -24.419 65.956 1.00737.35 O ATOM 4448 C5* U 0 207 191.160 -23.604 65.209 1.00737.35 C ATOM 4449 C4* U 0 207 191.219 -22.210 65.792 1.00737.35 C ATOM 4450 O4* U 0 207 189.926 -21.569 65.634 1.00737.35 O ATOM 4451 C3* U 0 207 191.502 -22.125 67.283 1.00737.35 C ATOM 4452 O3* U 0 207 192.900 -22.188 67.545 1.00737.35 O ATOM 4453 C2* U 0 207 190.912 -20.766 67.645 1.00737.35 C ATOM 4454 O2* U 0 207 191.767 -19.686 67.327 1.00737.35 O ATOM 4455 C1* U 0 207 189.671 -20.725 66.748 1.00737.35 C ATOM 4456 N1 U 0 207 188.441 -21.183 67.417 1.00737.35 N ATOM 4457 C2 U 0 207 187.701 -20.246 68.125 1.00737.35 C ATOM 4458 O2 U 0 207 188.021 -19.071 68.215 1.00737.35 O ATOM 4459 N3 U 0 207 186.567 -20.738 68.725 1.00737.35 N ATOM 4460 C4 U 0 207 186.105 -22.037 68.694 1.00737.35 C ATOM 4461 O4 U 0 207 185.063 -22.324 69.284 1.00737.35 O ATOM 4462 C5 U 0 207 186.921 -22.943 67.945 1.00737.35 C ATOM 4463 C6 U 0 207 188.032 -22.499 67.349 1.00737.35 C ATOM 4464 P C 0 208 193.425 -22.687 68.983 1.00737.35 P ATOM 4465 O1P C 0 208 194.900 -22.828 68.890 1.00737.35 O ATOM 4466 O2P C 0 208 192.604 -23.850 69.411 1.00737.35 O ATOM 4467 O5* C 0 208 193.099 -21.468 69.955 1.00737.35 O ATOM 4468 C5* C 0 208 193.733 -20.200 69.774 1.00737.35 C ATOM 4469 C4* C 0 208 193.041 -19.142 70.601 1.00737.35 C ATOM 4470 O4* C 0 208 191.661 -19.017 70.162 1.00737.35 O ATOM 4471 C3* C 0 208 192.929 -19.422 72.091 1.00737.35 C ATOM 4472 O3* C 0 208 194.117 -19.030 72.775 1.00737.35 O ATOM 4473 C2* C 0 208 191.743 -18.555 72.494 1.00737.35 C ATOM 4474 O2* C 0 208 192.085 -17.198 72.690 1.00737.35 O ATOM 4475 C1* C 0 208 190.835 -18.688 71.268 1.00737.35 C ATOM 4476 N1 C 0 208 189.793 -19.725 71.414 1.00737.35 N ATOM 4477 C2 C 0 208 188.566 -19.374 72.006 1.00737.35 C ATOM 4478 O2 C 0 208 188.391 -18.207 72.390 1.00737.35 O ATOM 4479 N3 C 0 208 187.609 -20.319 72.148 1.00737.35 N ATOM 4480 C4 C 0 208 187.829 -21.565 71.725 1.00737.35 C ATOM 4481 N4 C 0 208 186.852 -22.461 71.885 1.00737.35 N ATOM 4482 C5 C 0 208 189.063 -21.949 71.121 1.00737.35 C ATOM 4483 C6 C 0 208 190.005 -21.006 70.984 1.00737.35 C ATOM 4484 P G 0 209 194.709 -19.957 73.949 1.00737.35 P ATOM 4485 O1P G 0 209 195.755 -19.169 74.651 1.00737.35 O ATOM 4486 O2P G 0 209 195.054 -21.281 73.370 1.00737.35 O ATOM 4487 O5* G 0 209 193.487 -20.156 74.950 1.00737.35 O ATOM 4488 C5* G 0 209 192.813 -19.038 75.524 1.00737.35 C ATOM 4489 C4* G 0 209 191.486 -19.467 76.110 1.00737.35 C ATOM 4490 O4* G 0 209 190.676 -20.060 75.062 1.00737.35 O ATOM 4491 C3* G 0 209 191.560 -20.540 77.185 1.00737.35 C ATOM 4492 O3* G 0 209 191.782 -19.955 78.462 1.00737.35 O ATOM 4493 C2* G 0 209 190.177 -21.172 77.105 1.00737.35 C ATOM 4494 O2* G 0 209 189.189 -20.431 77.792 1.00737.35 O ATOM 4495 C1* G 0 209 189.903 -21.124 75.598 1.00737.35 C ATOM 4496 N9 G 0 209 190.258 -22.358 74.900 1.00737.35 N ATOM 4497 C8 G 0 209 191.323 -22.561 74.054 1.00737.35 C ATOM 4498 N7 G 0 209 191.376 -23.776 73.579 1.00737.35 N ATOM 4499 C5 G 0 209 190.280 -24.416 74.145 1.00737.35 C ATOM 4500 C6 G 0 209 189.820 -25.751 74.001 1.00737.35 C ATOM 4501 O6 G 0 209 190.303 -26.664 73.321 1.00737.35 O ATOM 4502 N1 G 0 209 188.674 -25.979 74.753 1.00737.35 N ATOM 4503 C2 G 0 209 188.048 -25.045 75.544 1.00737.35 C ATOM 4504 N2 G 0 209 186.953 -25.461 76.195 1.00737.35 N ATOM 4505 N3 G 0 209 188.465 -23.799 75.684 1.00737.35 N ATOM 4506 C4 G 0 209 189.580 -23.556 74.962 1.00737.35 C ATOM 4507 P A 0 210 192.797 -20.655 79.498 1.00737.35 P ATOM 4508 O1P A 0 210 194.177 -20.230 79.155 1.00737.35 O ATOM 4509 O2P A 0 210 192.465 -22.102 79.548 1.00737.35 O ATOM 4510 O5* A 0 210 192.406 -20.012 80.902 1.00737.35 O ATOM 4511 C5* A 0 210 192.223 -18.606 81.041 1.00737.35 C ATOM 4512 C4* A 0 210 191.118 -18.320 82.028 1.00737.35 C ATOM 4513 O4* A 0 210 191.457 -18.909 83.311 1.00737.35 O ATOM 4514 C3* A 0 210 190.885 -16.849 82.338 1.00737.35 C ATOM 4515 O3* A 0 210 190.022 -16.255 81.373 1.00737.35 O ATOM 4516 C2* A 0 210 190.243 -16.907 83.718 1.00737.35 C ATOM 4517 O2* A 0 210 188.862 -17.214 83.676 1.00737.35 O ATOM 4518 C1* A 0 210 191.012 -18.062 84.361 1.00737.35 C ATOM 4519 N9 A 0 210 192.179 -17.624 85.126 1.00737.35 N ATOM 4520 C8 A 0 210 193.475 -17.480 84.688 1.00737.35 C ATOM 4521 N7 A 0 210 194.303 -17.065 85.615 1.00737.35 N ATOM 4522 C5 A 0 210 193.503 -16.926 86.740 1.00737.35 C ATOM 4523 C6 A 0 210 193.782 -16.518 88.056 1.00737.35 C ATOM 4524 N6 A 0 210 194.997 -16.158 88.474 1.00737.35 N ATOM 4525 N1 A 0 210 192.759 -16.491 88.936 1.00737.35 N ATOM 4526 C2 A 0 210 191.541 -16.848 88.512 1.00737.35 C ATOM 4527 N3 A 0 210 191.153 -17.249 87.305 1.00737.35 N ATOM 4528 C4 A 0 210 192.193 -17.267 86.454 1.00737.35 C ATOM 4529 P U 0 211 190.124 -14.678 81.074 1.00737.35 P ATOM 4530 O1P U 0 211 189.164 -14.351 79.988 1.00737.35 O ATOM 4531 O2P U 0 211 191.561 -14.340 80.907 1.00737.35 O ATOM 4532 O5* U 0 211 189.610 -13.998 82.422 1.00737.35 O ATOM 4533 C5* U 0 211 188.232 -14.048 82.791 1.00737.35 C ATOM 4534 C4* U 0 211 187.907 -12.926 83.751 1.00737.35 C ATOM 4535 O4* U 0 211 188.599 -13.140 85.008 1.00737.35 O ATOM 4536 C3* U 0 211 188.338 -11.538 83.302 1.00737.35 C ATOM 4537 O3* U 0 211 187.340 -10.954 82.467 1.00737.35 O ATOM 4538 C2* U 0 211 188.471 -10.790 84.625 1.00737.35 C ATOM 4539 O2* U 0 211 187.238 -10.298 85.109 1.00737.35 O ATOM 4540 C1* U 0 211 188.981 -11.890 85.561 1.00737.35 C ATOM 4541 N1 U 0 211 190.435 -11.905 85.818 1.00737.35 N ATOM 4542 C2 U 0 211 191.030 -10.754 86.331 1.00737.35 C ATOM 4543 O2 U 0 211 190.411 -9.714 86.521 1.00737.35 O ATOM 4544 N3 U 0 211 192.376 -10.867 86.600 1.00737.35 N ATOM 4545 C4 U 0 211 193.172 -11.985 86.408 1.00737.35 C ATOM 4546 O4 U 0 211 194.350 -11.970 86.773 1.00737.35 O ATOM 4547 C5 U 0 211 192.492 -13.114 85.850 1.00737.35 C ATOM 4548 C6 U 0 211 191.185 -13.038 85.582 1.00737.35 C ATOM 4549 P U 0 212 187.775 -10.028 81.224 1.00737.35 P ATOM 4550 O1P U 0 212 186.539 -9.512 80.582 1.00737.35 O ATOM 4551 O2P U 0 212 188.758 -10.794 80.414 1.00737.35 O ATOM 4552 O5* U 0 212 188.538 -8.801 81.895 1.00737.35 O ATOM 4553 C5* U 0 212 187.974 -8.097 83.001 1.00737.35 C ATOM 4554 C4* U 0 212 189.032 -7.267 83.688 1.00737.35 C ATOM 4555 O4* U 0 212 190.128 -8.132 84.090 1.00737.35 O ATOM 4556 C3* U 0 212 189.688 -6.201 82.826 1.00737.35 C ATOM 4557 O3* U 0 212 188.909 -5.008 82.830 1.00737.35 O ATOM 4558 C2* U 0 212 191.036 -6.016 83.509 1.00737.35 C ATOM 4559 O2* U 0 212 190.970 -5.194 84.659 1.00737.35 O ATOM 4560 C1* U 0 212 191.365 -7.453 83.921 1.00737.35 C ATOM 4561 N1 U 0 212 192.170 -8.183 82.926 1.00737.35 N ATOM 4562 C2 U 0 212 193.554 -8.060 82.986 1.00737.35 C ATOM 4563 O2 U 0 212 194.129 -7.378 83.822 1.00737.35 O ATOM 4564 N3 U 0 212 194.241 -8.765 82.028 1.00737.35 N ATOM 4565 C4 U 0 212 193.703 -9.562 81.037 1.00737.35 C ATOM 4566 O4 U 0 212 194.453 -10.127 80.240 1.00737.35 O ATOM 4567 C5 U 0 212 192.276 -9.639 81.039 1.00737.35 C ATOM 4568 C6 U 0 212 191.577 -8.966 81.957 1.00737.35 C ATOM 4569 P C 0 213 189.049 -3.956 81.622 1.00737.35 P ATOM 4570 O1P C 0 213 188.001 -2.918 81.789 1.00737.35 O ATOM 4571 O2P C 0 213 189.121 -4.726 80.353 1.00737.35 O ATOM 4572 O5* C 0 213 190.470 -3.280 81.869 1.00737.35 O ATOM 4573 C5* C 0 213 190.720 -2.508 83.044 1.00737.35 C ATOM 4574 C4* C 0 213 192.199 -2.224 83.183 1.00737.35 C ATOM 4575 O4* C 0 213 192.911 -3.476 83.366 1.00737.35 O ATOM 4576 C3* C 0 213 192.857 -1.589 81.971 1.00737.35 C ATOM 4577 O3* C 0 213 192.683 -0.177 81.972 1.00737.35 O ATOM 4578 C2* C 0 213 194.317 -1.992 82.149 1.00737.35 C ATOM 4579 O2* C 0 213 195.010 -1.180 83.073 1.00737.35 O ATOM 4580 C1* C 0 213 194.169 -3.410 82.708 1.00737.35 C ATOM 4581 N1 C 0 213 194.214 -4.460 81.670 1.00737.35 N ATOM 4582 C2 C 0 213 195.450 -5.045 81.347 1.00737.35 C ATOM 4583 O2 C 0 213 196.474 -4.670 81.945 1.00737.35 O ATOM 4584 N3 C 0 213 195.498 -6.004 80.393 1.00737.35 N ATOM 4585 C4 C 0 213 194.379 -6.382 79.771 1.00737.35 C ATOM 4586 N4 C 0 213 194.475 -7.331 78.837 1.00737.35 N ATOM 4587 C5 C 0 213 193.113 -5.808 80.077 1.00737.35 C ATOM 4588 C6 C 0 213 193.076 -4.860 81.023 1.00737.35 C ATOM 4589 P C 0 214 192.555 0.613 80.579 1.00737.35 P ATOM 4590 O1P C 0 214 192.290 2.045 80.880 1.00737.35 O ATOM 4591 O2P C 0 214 191.608 -0.140 79.718 1.00737.35 O ATOM 4592 O5* C 0 214 194.009 0.491 79.938 1.00737.35 O ATOM 4593 C5* C 0 214 195.104 1.232 80.468 1.00737.35 C ATOM 4594 C4* C 0 214 196.346 1.005 79.638 1.00737.35 C ATOM 4595 O4* C 0 214 196.795 -0.367 79.785 1.00737.35 O ATOM 4596 C3* C 0 214 196.187 1.178 78.137 1.00737.35 C ATOM 4597 O3* C 0 214 196.257 2.550 77.764 1.00737.35 O ATOM 4598 C2* C 0 214 197.364 0.375 77.594 1.00737.35 C ATOM 4599 O2* C 0 214 198.584 1.088 77.629 1.00737.35 O ATOM 4600 C1* C 0 214 197.416 -0.795 78.583 1.00737.35 C ATOM 4601 N1 C 0 214 196.735 -2.011 78.094 1.00737.35 N ATOM 4602 C2 C 0 214 197.474 -2.946 77.349 1.00737.35 C ATOM 4603 O2 C 0 214 198.679 -2.732 77.127 1.00737.35 O ATOM 4604 N3 C 0 214 196.858 -4.058 76.889 1.00737.35 N ATOM 4605 C4 C 0 214 195.563 -4.260 77.144 1.00737.35 C ATOM 4606 N4 C 0 214 195.000 -5.372 76.664 1.00737.35 N ATOM 4607 C5 C 0 214 194.791 -3.332 77.900 1.00737.35 C ATOM 4608 C6 C 0 214 195.408 -2.231 78.351 1.00737.35 C ATOM 4609 P G 0 215 195.485 3.059 76.449 1.00737.35 P ATOM 4610 O1P G 0 215 195.651 4.534 76.384 1.00737.35 O ATOM 4611 O2P G 0 215 194.119 2.475 76.448 1.00737.35 O ATOM 4612 O5* G 0 215 196.306 2.406 75.251 1.00737.35 O ATOM 4613 C5* G 0 215 197.618 2.865 74.929 1.00737.35 C ATOM 4614 C4* G 0 215 198.190 2.070 73.777 1.00737.35 C ATOM 4615 O4* G 0 215 198.411 0.698 74.186 1.00737.35 O ATOM 4616 C3* G 0 215 197.313 1.949 72.542 1.00737.35 C ATOM 4617 O3* G 0 215 197.429 3.107 71.718 1.00737.35 O ATOM 4618 C2* G 0 215 197.885 0.712 71.862 1.00737.35 C ATOM 4619 O2* G 0 215 199.039 0.984 71.090 1.00737.35 O ATOM 4620 C1* G 0 215 198.261 -0.160 73.065 1.00737.35 C ATOM 4621 N9 G 0 215 197.273 -1.189 73.382 1.00737.35 N ATOM 4622 C8 G 0 215 196.283 -1.135 74.334 1.00737.35 C ATOM 4623 N7 G 0 215 195.552 -2.216 74.378 1.00737.35 N ATOM 4624 C5 G 0 215 196.090 -3.035 73.393 1.00737.35 C ATOM 4625 C6 G 0 215 195.713 -4.339 72.970 1.00737.35 C ATOM 4626 O6 G 0 215 194.795 -5.054 73.392 1.00737.35 O ATOM 4627 N1 G 0 215 196.529 -4.797 71.942 1.00737.35 N ATOM 4628 C2 G 0 215 197.575 -4.098 71.389 1.00737.35 C ATOM 4629 N2 G 0 215 198.245 -4.715 70.409 1.00737.35 N ATOM 4630 N3 G 0 215 197.932 -2.883 71.771 1.00737.35 N ATOM 4631 C4 G 0 215 197.153 -2.416 72.770 1.00737.35 C ATOM 4632 P U 0 216 196.158 3.613 70.870 1.00737.35 P ATOM 4633 O1P U 0 216 196.571 4.849 70.157 1.00737.35 O ATOM 4634 O2P U 0 216 194.977 3.646 71.768 1.00737.35 O ATOM 4635 O5* U 0 216 195.932 2.463 69.791 1.00737.35 O ATOM 4636 C5* U 0 216 196.900 2.208 68.775 1.00737.35 C ATOM 4637 C4* U 0 216 196.644 0.866 68.129 1.00737.35 C ATOM 4638 O4* U 0 216 196.784 -0.176 69.130 1.00737.35 O ATOM 4639 C3* U 0 216 195.248 0.657 67.556 1.00737.35 C ATOM 4640 O3* U 0 216 195.157 1.177 66.232 1.00737.35 O ATOM 4641 C2* U 0 216 195.115 -0.860 67.581 1.00737.35 C ATOM 4642 O2* U 0 216 195.749 -1.494 66.490 1.00737.35 O ATOM 4643 C1* U 0 216 195.845 -1.210 68.881 1.00737.35 C ATOM 4644 N1 U 0 216 194.953 -1.333 70.047 1.00737.35 N ATOM 4645 C2 U 0 216 194.365 -2.568 70.287 1.00737.35 C ATOM 4646 O2 U 0 216 194.548 -3.546 69.577 1.00737.35 O ATOM 4647 N3 U 0 216 193.547 -2.616 71.389 1.00737.35 N ATOM 4648 C4 U 0 216 193.264 -1.584 72.260 1.00737.35 C ATOM 4649 O4 U 0 216 192.510 -1.786 73.213 1.00737.35 O ATOM 4650 C5 U 0 216 193.906 -0.345 71.948 1.00737.35 C ATOM 4651 C6 U 0 216 194.707 -0.264 70.882 1.00737.35 C ATOM 4652 P U 0 217 193.744 1.702 65.674 1.00737.35 P ATOM 4653 O1P U 0 217 193.987 2.265 64.321 1.00737.35 O ATOM 4654 O2P U 0 217 193.111 2.551 66.717 1.00737.35 O ATOM 4655 O5* U 0 217 192.871 0.378 65.511 1.00737.35 O ATOM 4656 C5* U 0 217 193.253 -0.648 64.597 1.00737.35 C ATOM 4657 C4* U 0 217 192.562 -1.947 64.946 1.00737.35 C ATOM 4658 O4* U 0 217 192.939 -2.335 66.293 1.00737.35 O ATOM 4659 C3* U 0 217 191.042 -1.903 64.971 1.00737.35 C ATOM 4660 O3* U 0 217 190.511 -2.125 63.667 1.00737.35 O ATOM 4661 C2* U 0 217 190.700 -3.040 65.928 1.00737.35 C ATOM 4662 O2* U 0 217 190.742 -4.314 65.317 1.00737.35 O ATOM 4663 C1* U 0 217 191.829 -2.919 66.955 1.00737.35 C ATOM 4664 N1 U 0 217 191.483 -2.081 68.115 1.00737.35 N ATOM 4665 C2 U 0 217 191.040 -2.714 69.267 1.00737.35 C ATOM 4666 O2 U 0 217 190.929 -3.927 69.362 1.00737.35 O ATOM 4667 N3 U 0 217 190.730 -1.872 70.307 1.00737.35 N ATOM 4668 C4 U 0 217 190.811 -0.495 70.316 1.00737.35 C ATOM 4669 O4 U 0 217 190.495 0.122 71.336 1.00737.35 O ATOM 4670 C5 U 0 217 191.279 0.085 69.097 1.00737.35 C ATOM 4671 C6 U 0 217 191.592 -0.706 68.065 1.00737.35 C ATOM 4672 P A 0 218 189.019 -1.637 63.318 1.00737.35 P ATOM 4673 O1P A 0 218 188.081 -2.472 64.108 1.00737.35 O ATOM 4674 O2P A 0 218 188.887 -1.589 61.837 1.00737.35 O ATOM 4675 O5* A 0 218 188.947 -0.147 63.879 1.00737.35 O ATOM 4676 C5* A 0 218 187.962 0.767 63.406 1.00737.35 C ATOM 4677 C4* A 0 218 187.265 1.438 64.568 1.00737.35 C ATOM 4678 O4* A 0 218 186.564 0.436 65.350 1.00737.35 O ATOM 4679 C3* A 0 218 188.161 2.144 65.573 1.00737.35 C ATOM 4680 O3* A 0 218 188.455 3.466 65.126 1.00737.35 O ATOM 4681 C2* A 0 218 187.292 2.160 66.828 1.00737.35 C ATOM 4682 O2* A 0 218 186.353 3.218 66.841 1.00737.35 O ATOM 4683 C1* A 0 218 186.548 0.827 66.711 1.00737.35 C ATOM 4684 N9 A 0 218 187.117 -0.255 67.517 1.00737.35 N ATOM 4685 C8 A 0 218 187.942 -1.278 67.110 1.00737.35 C ATOM 4686 N7 A 0 218 188.271 -2.108 68.070 1.00737.35 N ATOM 4687 C5 A 0 218 187.624 -1.596 69.187 1.00737.35 C ATOM 4688 C6 A 0 218 187.571 -2.021 70.527 1.00737.35 C ATOM 4689 N6 A 0 218 188.199 -3.106 70.984 1.00737.35 N ATOM 4690 N1 A 0 218 186.839 -1.288 71.390 1.00737.35 N ATOM 4691 C2 A 0 218 186.205 -0.202 70.930 1.00737.35 C ATOM 4692 N3 A 0 218 186.174 0.298 69.696 1.00737.35 N ATOM 4693 C4 A 0 218 186.913 -0.455 68.863 1.00737.35 C ATOM 4694 P G 0 219 189.779 4.219 65.648 1.00737.35 P ATOM 4695 O1P G 0 219 190.622 4.504 64.459 1.00737.35 O ATOM 4696 O2P G 0 219 190.356 3.464 66.791 1.00737.35 O ATOM 4697 O5* G 0 219 189.229 5.609 66.204 1.00737.35 O ATOM 4698 C5* G 0 219 188.166 6.292 65.542 1.00737.35 C ATOM 4699 C4* G 0 219 186.880 6.114 66.315 1.00737.35 C ATOM 4700 O4* G 0 219 187.020 6.713 67.629 1.00737.35 O ATOM 4701 C3* G 0 219 185.649 6.787 65.734 1.00737.35 C ATOM 4702 O3* G 0 219 185.057 5.973 64.725 1.00737.35 O ATOM 4703 C2* G 0 219 184.746 6.906 66.958 1.00737.35 C ATOM 4704 O2* G 0 219 184.062 5.705 67.258 1.00737.35 O ATOM 4705 C1* G 0 219 185.763 7.210 68.061 1.00737.35 C ATOM 4706 N9 G 0 219 185.899 8.635 68.351 1.00737.35 N ATOM 4707 C8 G 0 219 186.494 9.594 67.563 1.00737.35 C ATOM 4708 N7 G 0 219 186.445 10.790 68.088 1.00737.35 N ATOM 4709 C5 G 0 219 185.783 10.609 69.295 1.00737.35 C ATOM 4710 C6 G 0 219 185.435 11.549 70.303 1.00737.35 C ATOM 4711 O6 G 0 219 185.648 12.766 70.329 1.00737.35 O ATOM 4712 N1 G 0 219 184.773 10.938 71.362 1.00737.35 N ATOM 4713 C2 G 0 219 184.481 9.600 71.447 1.00737.35 C ATOM 4714 N2 G 0 219 183.836 9.204 72.552 1.00737.35 N ATOM 4715 N3 G 0 219 184.796 8.714 70.515 1.00737.35 N ATOM 4716 C4 G 0 219 185.442 9.285 69.475 1.00737.35 C ATOM 4717 P U 0 220 184.163 6.651 63.574 1.00737.35 P ATOM 4718 O1P U 0 220 185.070 7.492 62.749 1.00737.35 O ATOM 4719 O2P U 0 220 182.973 7.269 64.213 1.00737.35 O ATOM 4720 O5* U 0 220 183.667 5.413 62.700 1.00737.35 O ATOM 4721 C5* U 0 220 184.274 5.101 61.446 1.00737.35 C ATOM 4722 C4* U 0 220 184.146 3.624 61.154 1.00737.35 C ATOM 4723 O4* U 0 220 184.897 2.871 62.143 1.00737.35 O ATOM 4724 C3* U 0 220 182.741 3.049 61.234 1.00737.35 C ATOM 4725 O3* U 0 220 182.027 3.242 60.016 1.00737.35 O ATOM 4726 C2* U 0 220 183.014 1.574 61.499 1.00737.35 C ATOM 4727 O2* U 0 220 183.343 0.847 60.332 1.00737.35 O ATOM 4728 C1* U 0 220 184.229 1.651 62.426 1.00737.35 C ATOM 4729 N1 U 0 220 183.877 1.621 63.856 1.00737.35 N ATOM 4730 C2 U 0 220 183.696 0.382 64.455 1.00737.35 C ATOM 4731 O2 U 0 220 183.814 -0.674 63.853 1.00737.35 O ATOM 4732 N3 U 0 220 183.368 0.426 65.789 1.00737.35 N ATOM 4733 C4 U 0 220 183.206 1.549 66.571 1.00737.35 C ATOM 4734 O4 U 0 220 182.911 1.422 67.758 1.00737.35 O ATOM 4735 C5 U 0 220 183.409 2.789 65.884 1.00737.35 C ATOM 4736 C6 U 0 220 183.728 2.784 64.588 1.00737.35 C ATOM 4737 P A 0 221 180.425 3.388 60.045 1.00737.35 P ATOM 4738 O1P A 0 221 179.963 3.476 58.637 1.00737.35 O ATOM 4739 O2P A 0 221 180.070 4.466 61.003 1.00737.35 O ATOM 4740 O5* A 0 221 179.922 2.000 60.652 1.00737.35 O ATOM 4741 C5* A 0 221 180.105 0.780 59.939 1.00737.35 C ATOM 4742 C4* A 0 221 179.773 -0.404 60.820 1.00737.35 C ATOM 4743 O4* A 0 221 180.682 -0.429 61.955 1.00737.35 O ATOM 4744 C3* A 0 221 178.392 -0.392 61.458 1.00737.35 C ATOM 4745 O3* A 0 221 177.404 -0.904 60.570 1.00737.35 O ATOM 4746 C2* A 0 221 178.586 -1.302 62.664 1.00737.35 C ATOM 4747 O2* A 0 221 178.534 -2.677 62.337 1.00737.35 O ATOM 4748 C1* A 0 221 180.005 -0.926 63.100 1.00737.35 C ATOM 4749 N9 A 0 221 180.028 0.103 64.143 1.00737.35 N ATOM 4750 C8 A 0 221 180.294 1.445 64.010 1.00737.35 C ATOM 4751 N7 A 0 221 180.230 2.112 65.136 1.00737.35 N ATOM 4752 C5 A 0 221 179.899 1.146 66.078 1.00737.35 C ATOM 4753 C6 A 0 221 179.680 1.211 67.466 1.00737.35 C ATOM 4754 N6 A 0 221 179.768 2.337 68.176 1.00737.35 N ATOM 4755 N1 A 0 221 179.364 0.064 68.107 1.00737.35 N ATOM 4756 C2 A 0 221 179.277 -1.063 67.392 1.00737.35 C ATOM 4757 N3 A 0 221 179.460 -1.254 66.088 1.00737.35 N ATOM 4758 C4 A 0 221 179.771 -0.095 65.478 1.00737.35 C ATOM 4759 P G 0 222 175.927 -0.266 60.567 1.00737.35 P ATOM 4760 O1P G 0 222 175.048 -1.187 59.802 1.00737.35 O ATOM 4761 O2P G 0 222 176.035 1.155 60.153 1.00737.35 O ATOM 4762 O5* G 0 222 175.481 -0.306 62.097 1.00737.35 O ATOM 4763 C5* G 0 222 175.304 -1.546 62.779 1.00737.35 C ATOM 4764 C4* G 0 222 175.103 -1.313 64.258 1.00737.35 C ATOM 4765 O4* G 0 222 176.297 -0.705 64.823 1.00737.35 O ATOM 4766 C3* G 0 222 173.984 -0.352 64.630 1.00737.35 C ATOM 4767 O3* G 0 222 172.728 -1.022 64.654 1.00737.35 O ATOM 4768 C2* G 0 222 174.410 0.121 66.015 1.00737.35 C ATOM 4769 O2* G 0 222 174.074 -0.793 67.043 1.00737.35 O ATOM 4770 C1* G 0 222 175.932 0.191 65.862 1.00737.35 C ATOM 4771 N9 G 0 222 176.427 1.524 65.525 1.00737.35 N ATOM 4772 C8 G 0 222 176.801 1.985 64.283 1.00737.35 C ATOM 4773 N7 G 0 222 177.208 3.225 64.296 1.00737.35 N ATOM 4774 C5 G 0 222 177.099 3.608 65.625 1.00737.35 C ATOM 4775 C6 G 0 222 177.397 4.848 66.249 1.00737.35 C ATOM 4776 O6 G 0 222 177.835 5.885 65.737 1.00737.35 O ATOM 4777 N1 G 0 222 177.140 4.806 67.616 1.00737.35 N ATOM 4778 C2 G 0 222 176.657 3.717 68.296 1.00737.35 C ATOM 4779 N2 G 0 222 176.470 3.880 69.616 1.00737.35 N ATOM 4780 N3 G 0 222 176.375 2.556 67.726 1.00737.35 N ATOM 4781 C4 G 0 222 176.618 2.573 66.398 1.00737.35 C ATOM 4782 P C 0 223 171.376 -0.193 64.396 1.00737.35 P ATOM 4783 O1P C 0 223 170.255 -1.168 64.389 1.00737.35 O ATOM 4784 O2P C 0 223 171.582 0.697 63.222 1.00737.35 O ATOM 4785 O5* C 0 223 171.233 0.720 65.694 1.00737.35 O ATOM 4786 C5* C 0 223 170.983 0.139 66.971 1.00737.35 C ATOM 4787 C4* C 0 223 170.940 1.209 68.038 1.00737.35 C ATOM 4788 O4* C 0 223 172.249 1.822 68.166 1.00737.35 O ATOM 4789 C3* C 0 223 170.004 2.376 67.765 1.00737.35 C ATOM 4790 O3* C 0 223 168.670 2.063 68.150 1.00737.35 O ATOM 4791 C2* C 0 223 170.606 3.482 68.627 1.00737.35 C ATOM 4792 O2* C 0 223 170.231 3.391 69.988 1.00737.35 O ATOM 4793 C1* C 0 223 172.104 3.197 68.482 1.00737.35 C ATOM 4794 N1 C 0 223 172.763 3.998 67.428 1.00737.35 N ATOM 4795 C2 C 0 223 173.238 5.283 67.747 1.00737.35 C ATOM 4796 O2 C 0 223 173.093 5.712 68.905 1.00737.35 O ATOM 4797 N3 C 0 223 173.845 6.019 66.789 1.00737.35 N ATOM 4798 C4 C 0 223 173.984 5.526 65.556 1.00737.35 C ATOM 4799 N4 C 0 223 174.590 6.289 64.644 1.00737.35 N ATOM 4800 C5 C 0 223 173.507 4.230 65.202 1.00737.35 C ATOM 4801 C6 C 0 223 172.909 3.509 66.158 1.00737.35 C ATOM 4802 P G 0 224 167.437 2.786 67.414 1.00737.35 P ATOM 4803 O1P G 0 224 166.188 2.213 67.981 1.00737.35 O ATOM 4804 O2P G 0 224 167.665 2.735 65.948 1.00737.35 O ATOM 4805 O5* G 0 224 167.550 4.304 67.886 1.00737.35 O ATOM 4806 C5* G 0 224 167.319 4.669 69.245 1.00737.35 C ATOM 4807 C4* G 0 224 167.553 6.149 69.437 1.00737.35 C ATOM 4808 O4* G 0 224 168.956 6.450 69.226 1.00737.35 O ATOM 4809 C3* G 0 224 166.816 7.060 68.468 1.00737.35 C ATOM 4810 O3* G 0 224 165.490 7.302 68.928 1.00737.35 O ATOM 4811 C2* G 0 224 167.674 8.320 68.487 1.00737.35 C ATOM 4812 O2* G 0 224 167.391 9.169 69.582 1.00737.35 O ATOM 4813 C1* G 0 224 169.082 7.734 68.636 1.00737.35 C ATOM 4814 N9 G 0 224 169.811 7.590 67.377 1.00737.35 N ATOM 4815 C8 G 0 224 169.711 6.564 66.468 1.00737.35 C ATOM 4816 N7 G 0 224 170.503 6.710 65.441 1.00737.35 N ATOM 4817 C5 G 0 224 171.164 7.906 65.684 1.00737.35 C ATOM 4818 C6 G 0 224 172.147 8.585 64.914 1.00737.35 C ATOM 4819 O6 G 0 224 172.646 8.250 63.831 1.00737.35 O ATOM 4820 N1 G 0 224 172.544 9.769 65.526 1.00737.35 N ATOM 4821 C2 G 0 224 172.061 10.242 66.720 1.00737.35 C ATOM 4822 N2 G 0 224 172.573 11.407 67.145 1.00737.35 N ATOM 4823 N3 G 0 224 171.147 9.620 67.446 1.00737.35 N ATOM 4824 C4 G 0 224 170.747 8.465 66.873 1.00737.35 C ATOM 4825 P G 0 225 164.292 7.447 67.868 1.00737.35 P ATOM 4826 O1P G 0 225 163.020 7.389 68.633 1.00737.35 O ATOM 4827 O2P G 0 225 164.519 6.493 66.753 1.00737.35 O ATOM 4828 O5* G 0 225 164.457 8.925 67.296 1.00737.35 O ATOM 4829 C5* G 0 225 164.579 10.043 68.173 1.00737.35 C ATOM 4830 C4* G 0 225 163.412 10.983 67.981 1.00737.35 C ATOM 4831 O4* G 0 225 163.518 12.075 68.934 1.00737.35 O ATOM 4832 C3* G 0 225 163.343 11.679 66.631 1.00737.35 C ATOM 4833 O3* G 0 225 162.749 10.856 65.629 1.00737.35 O ATOM 4834 C2* G 0 225 162.515 12.914 66.954 1.00737.35 C ATOM 4835 O2* G 0 225 161.129 12.644 67.033 1.00737.35 O ATOM 4836 C1* G 0 225 163.063 13.282 68.337 1.00737.35 C ATOM 4837 N9 G 0 225 164.187 14.215 68.273 1.00737.35 N ATOM 4838 C8 G 0 225 165.443 13.961 67.772 1.00737.35 C ATOM 4839 N7 G 0 225 166.235 14.998 67.825 1.00737.35 N ATOM 4840 C5 G 0 225 165.461 15.995 68.399 1.00737.35 C ATOM 4841 C6 G 0 225 165.781 17.343 68.706 1.00737.35 C ATOM 4842 O6 G 0 225 166.845 17.945 68.520 1.00737.35 O ATOM 4843 N1 G 0 225 164.703 18.005 69.288 1.00737.35 N ATOM 4844 C2 G 0 225 163.477 17.445 69.539 1.00737.35 C ATOM 4845 N2 G 0 225 162.569 18.250 70.113 1.00737.35 N ATOM 4846 N3 G 0 225 163.161 16.192 69.253 1.00737.35 N ATOM 4847 C4 G 0 225 164.194 15.529 68.688 1.00737.35 C ATOM 4848 P C 0 226 162.860 11.273 64.074 1.00737.35 P ATOM 4849 O1P C 0 226 162.105 12.538 63.901 1.00737.35 O ATOM 4850 O2P C 0 226 162.498 10.086 63.260 1.00737.35 O ATOM 4851 O5* C 0 226 164.409 11.582 63.833 1.00737.35 O ATOM 4852 C5* C 0 226 165.073 12.654 64.512 1.00737.35 C ATOM 4853 C4* C 0 226 166.561 12.395 64.571 1.00737.35 C ATOM 4854 O4* C 0 226 166.777 11.056 65.090 1.00737.35 O ATOM 4855 C3* C 0 226 167.261 12.413 63.220 1.00737.35 C ATOM 4856 O3* C 0 226 167.709 13.735 62.934 1.00737.35 O ATOM 4857 C2* C 0 226 168.441 11.463 63.419 1.00737.35 C ATOM 4858 O2* C 0 226 169.623 12.082 63.880 1.00737.35 O ATOM 4859 C1* C 0 226 167.895 10.467 64.449 1.00737.35 C ATOM 4860 N1 C 0 226 167.498 9.170 63.862 1.00737.35 N ATOM 4861 C2 C 0 226 168.491 8.361 63.276 1.00737.35 C ATOM 4862 O2 C 0 226 169.673 8.731 63.311 1.00737.35 O ATOM 4863 N3 C 0 226 168.134 7.197 62.688 1.00737.35 N ATOM 4864 C4 C 0 226 166.854 6.819 62.676 1.00737.35 C ATOM 4865 N4 C 0 226 166.550 5.679 62.056 1.00737.35 N ATOM 4866 C5 C 0 226 165.832 7.600 63.292 1.00737.35 C ATOM 4867 C6 C 0 226 166.193 8.756 63.865 1.00737.35 C ATOM 4868 P G 0 227 168.239 14.108 61.465 1.00737.35 P ATOM 4869 O1P G 0 227 167.093 14.723 60.748 1.00737.35 O ATOM 4870 O2P G 0 227 168.939 12.942 60.873 1.00737.35 O ATOM 4871 O5* G 0 227 169.315 15.250 61.739 1.00737.35 O ATOM 4872 C5* G 0 227 170.464 15.015 62.558 1.00737.35 C ATOM 4873 C4* G 0 227 170.431 15.925 63.767 1.00737.35 C ATOM 4874 O4* G 0 227 169.331 15.520 64.627 1.00737.35 O ATOM 4875 C3* G 0 227 171.641 15.877 64.689 1.00737.35 C ATOM 4876 O3* G 0 227 172.681 16.730 64.214 1.00737.35 O ATOM 4877 C2* G 0 227 171.060 16.398 65.998 1.00737.35 C ATOM 4878 O2* G 0 227 170.938 17.808 66.034 1.00737.35 O ATOM 4879 C1* G 0 227 169.667 15.767 65.983 1.00737.35 C ATOM 4880 N9 G 0 227 169.606 14.509 66.727 1.00737.35 N ATOM 4881 C8 G 0 227 169.647 13.233 66.223 1.00737.35 C ATOM 4882 N7 G 0 227 169.577 12.312 67.145 1.00737.35 N ATOM 4883 C5 G 0 227 169.489 13.023 68.333 1.00737.35 C ATOM 4884 C6 G 0 227 169.390 12.567 69.672 1.00737.35 C ATOM 4885 O6 G 0 227 169.359 11.404 70.090 1.00737.35 O ATOM 4886 N1 G 0 227 169.326 13.629 70.566 1.00737.35 N ATOM 4887 C2 G 0 227 169.352 14.958 70.220 1.00737.35 C ATOM 4888 N2 G 0 227 169.284 15.833 71.230 1.00737.35 N ATOM 4889 N3 G 0 227 169.440 15.395 68.977 1.00737.35 N ATOM 4890 C4 G 0 227 169.504 14.380 68.091 1.00737.35 C ATOM 4891 P A 0 228 174.208 16.451 64.640 1.00737.35 P ATOM 4892 O1P A 0 228 175.059 17.293 63.757 1.00737.35 O ATOM 4893 O2P A 0 228 174.436 14.984 64.691 1.00737.35 O ATOM 4894 O5* A 0 228 174.316 17.014 66.127 1.00737.35 O ATOM 4895 C5* A 0 228 174.180 18.408 66.402 1.00737.35 C ATOM 4896 C4* A 0 228 174.153 18.653 67.894 1.00737.35 C ATOM 4897 O4* A 0 228 172.989 17.997 68.467 1.00737.35 O ATOM 4898 C3* A 0 228 175.328 18.084 68.676 1.00737.35 C ATOM 4899 O3* A 0 228 176.447 18.966 68.654 1.00737.35 O ATOM 4900 C2* A 0 228 174.744 17.923 70.074 1.00737.35 C ATOM 4901 O2* A 0 228 174.730 19.128 70.817 1.00737.35 O ATOM 4902 C1* A 0 228 173.310 17.492 69.755 1.00737.35 C ATOM 4903 N9 A 0 228 173.128 16.039 69.741 1.00737.35 N ATOM 4904 C8 A 0 228 173.191 15.187 68.664 1.00737.35 C ATOM 4905 N7 A 0 228 172.985 13.929 68.970 1.00737.35 N ATOM 4906 C5 A 0 228 172.773 13.950 70.339 1.00737.35 C ATOM 4907 C6 A 0 228 172.499 12.931 71.269 1.00737.35 C ATOM 4908 N6 A 0 228 172.389 11.640 70.942 1.00737.35 N ATOM 4909 N1 A 0 228 172.338 13.285 72.562 1.00737.35 N ATOM 4910 C2 A 0 228 172.450 14.579 72.889 1.00737.35 C ATOM 4911 N3 A 0 228 172.703 15.628 72.110 1.00737.35 N ATOM 4912 C4 A 0 228 172.855 15.242 70.830 1.00737.35 C ATOM 4913 P G 0 229 177.925 18.390 68.915 1.00737.35 P ATOM 4914 O1P G 0 229 178.137 18.381 70.386 1.00737.35 O ATOM 4915 O2P G 0 229 178.873 19.130 68.044 1.00737.35 O ATOM 4916 O5* G 0 229 177.850 16.884 68.399 1.00737.35 O ATOM 4917 C5* G 0 229 178.532 15.835 69.082 1.00737.35 C ATOM 4918 C4* G 0 229 177.547 14.998 69.865 1.00737.35 C ATOM 4919 O4* G 0 229 176.514 14.504 68.972 1.00737.35 O ATOM 4920 C3* G 0 229 178.117 13.746 70.513 1.00737.35 C ATOM 4921 O3* G 0 229 178.706 14.053 71.774 1.00737.35 O ATOM 4922 C2* G 0 229 176.876 12.869 70.665 1.00737.35 C ATOM 4923 O2* G 0 229 176.101 13.196 71.800 1.00737.35 O ATOM 4924 C1* G 0 229 176.101 13.213 69.391 1.00737.35 C ATOM 4925 N9 G 0 229 176.317 12.275 68.292 1.00737.35 N ATOM 4926 C8 G 0 229 177.092 12.466 67.171 1.00737.35 C ATOM 4927 N7 G 0 229 177.082 11.443 66.361 1.00737.35 N ATOM 4928 C5 G 0 229 176.252 10.519 66.980 1.00737.35 C ATOM 4929 C6 G 0 229 175.860 9.217 66.574 1.00737.35 C ATOM 4930 O6 G 0 229 176.176 8.601 65.548 1.00737.35 O ATOM 4931 N1 G 0 229 175.012 8.627 67.504 1.00737.35 N ATOM 4932 C2 G 0 229 174.593 9.210 68.674 1.00737.35 C ATOM 4933 N2 G 0 229 173.773 8.474 69.441 1.00737.35 N ATOM 4934 N3 G 0 229 174.948 10.422 69.064 1.00737.35 N ATOM 4935 C4 G 0 229 175.775 11.016 68.176 1.00737.35 C ATOM 4936 P C 0 230 179.831 13.083 72.387 1.00737.35 P ATOM 4937 O1P C 0 230 180.323 13.712 73.640 1.00737.35 O ATOM 4938 O2P C 0 230 180.798 12.742 71.313 1.00737.35 O ATOM 4939 O5* C 0 230 179.030 11.760 72.773 1.00737.35 O ATOM 4940 C5* C 0 230 178.092 11.756 73.849 1.00737.35 C ATOM 4941 C4* C 0 230 177.450 10.392 73.982 1.00737.35 C ATOM 4942 O4* C 0 230 176.671 10.109 72.790 1.00737.35 O ATOM 4943 C3* C 0 230 178.417 9.222 74.092 1.00737.35 C ATOM 4944 O3* C 0 230 178.832 9.032 75.443 1.00737.35 O ATOM 4945 C2* C 0 230 177.571 8.057 73.587 1.00737.35 C ATOM 4946 O2* C 0 230 176.702 7.534 74.570 1.00737.35 O ATOM 4947 C1* C 0 230 176.757 8.728 72.479 1.00737.35 C ATOM 4948 N1 C 0 230 177.341 8.581 71.128 1.00737.35 N ATOM 4949 C2 C 0 230 177.084 7.407 70.397 1.00737.35 C ATOM 4950 O2 C 0 230 176.384 6.513 70.905 1.00737.35 O ATOM 4951 N3 C 0 230 177.607 7.277 69.156 1.00737.35 N ATOM 4952 C4 C 0 230 178.359 8.252 68.641 1.00737.35 C ATOM 4953 N4 C 0 230 178.846 8.080 67.410 1.00737.35 N ATOM 4954 C5 C 0 230 178.642 9.448 69.362 1.00737.35 C ATOM 4955 C6 C 0 230 178.120 9.570 70.589 1.00737.35 C ATOM 4956 P G 0 231 180.340 8.574 75.757 1.00737.35 P ATOM 4957 O1P G 0 231 180.441 8.358 77.222 1.00737.35 O ATOM 4958 O2P G 0 231 181.269 9.525 75.091 1.00737.35 O ATOM 4959 O5* G 0 231 180.476 7.160 75.034 1.00737.35 O ATOM 4960 C5* G 0 231 179.651 6.060 75.417 1.00737.35 C ATOM 4961 C4* G 0 231 179.699 4.976 74.363 1.00737.35 C ATOM 4962 O4* G 0 231 179.183 5.504 73.111 1.00737.35 O ATOM 4963 C3* G 0 231 181.083 4.453 74.015 1.00737.35 C ATOM 4964 O3* G 0 231 181.475 3.433 74.930 1.00737.35 O ATOM 4965 C2* G 0 231 180.884 3.929 72.599 1.00737.35 C ATOM 4966 O2* G 0 231 180.294 2.645 72.557 1.00737.35 O ATOM 4967 C1* G 0 231 179.916 4.965 72.026 1.00737.35 C ATOM 4968 N9 G 0 231 180.580 6.065 71.329 1.00737.35 N ATOM 4969 C8 G 0 231 181.090 7.213 71.887 1.00737.35 C ATOM 4970 N7 G 0 231 181.624 8.017 71.010 1.00737.35 N ATOM 4971 C5 G 0 231 181.459 7.363 69.798 1.00737.35 C ATOM 4972 C6 G 0 231 181.838 7.750 68.486 1.00737.35 C ATOM 4973 O6 G 0 231 182.415 8.784 68.125 1.00737.35 O ATOM 4974 N1 G 0 231 181.480 6.791 67.547 1.00737.35 N ATOM 4975 C2 G 0 231 180.839 5.610 67.829 1.00737.35 C ATOM 4976 N2 G 0 231 180.579 4.814 66.781 1.00737.35 N ATOM 4977 N3 G 0 231 180.478 5.237 69.045 1.00737.35 N ATOM 4978 C4 G 0 231 180.818 6.156 69.976 1.00737.35 C ATOM 4979 P A 0 232 182.945 2.785 74.833 1.00737.35 P ATOM 4980 O1P A 0 232 183.227 2.151 76.148 1.00737.35 O ATOM 4981 O2P A 0 232 183.889 3.798 74.292 1.00737.35 O ATOM 4982 O5* A 0 232 182.773 1.630 73.750 1.00737.35 O ATOM 4983 C5* A 0 232 183.690 0.541 73.680 1.00737.35 C ATOM 4984 C4* A 0 232 182.941 -0.770 73.707 1.00737.35 C ATOM 4985 O4* A 0 232 181.978 -0.796 72.622 1.00737.35 O ATOM 4986 C3* A 0 232 183.782 -2.017 73.495 1.00737.35 C ATOM 4987 O3* A 0 232 184.373 -2.445 74.718 1.00737.35 O ATOM 4988 C2* A 0 232 182.750 -3.018 72.987 1.00737.35 C ATOM 4989 O2* A 0 232 181.994 -3.611 74.024 1.00737.35 O ATOM 4990 C1* A 0 232 181.846 -2.122 72.136 1.00737.35 C ATOM 4991 N9 A 0 232 182.182 -2.134 70.710 1.00737.35 N ATOM 4992 C8 A 0 232 183.070 -1.327 70.040 1.00737.35 C ATOM 4993 N7 A 0 232 183.153 -1.582 68.757 1.00737.35 N ATOM 4994 C5 A 0 232 182.259 -2.625 68.567 1.00737.35 C ATOM 4995 C6 A 0 232 181.884 -3.351 67.422 1.00737.35 C ATOM 4996 N6 A 0 232 182.380 -3.126 66.205 1.00737.35 N ATOM 4997 N1 A 0 232 180.965 -4.333 67.576 1.00737.35 N ATOM 4998 C2 A 0 232 180.466 -4.558 68.797 1.00737.35 C ATOM 4999 N3 A 0 232 180.738 -3.944 69.945 1.00737.35 N ATOM 5000 C4 A 0 232 181.655 -2.976 69.760 1.00737.35 C ATOM 5001 P A 0 233 185.746 -3.284 74.692 1.00737.35 P ATOM 5002 O1P A 0 233 186.069 -3.640 76.098 1.00737.35 O ATOM 5003 O2P A 0 233 186.740 -2.543 73.879 1.00737.35 O ATOM 5004 O5* A 0 233 185.362 -4.622 73.917 1.00737.35 O ATOM 5005 C5* A 0 233 184.480 -5.581 74.497 1.00737.35 C ATOM 5006 C4* A 0 233 184.163 -6.677 73.505 1.00737.35 C ATOM 5007 O4* A 0 233 183.431 -6.118 72.382 1.00737.35 O ATOM 5008 C3* A 0 233 185.361 -7.361 72.864 1.00737.35 C ATOM 5009 O3* A 0 233 185.875 -8.387 73.709 1.00737.35 O ATOM 5010 C2* A 0 233 184.763 -7.919 71.580 1.00737.35 C ATOM 5011 O2* A 0 233 184.058 -9.130 71.772 1.00737.35 O ATOM 5012 C1* A 0 233 183.784 -6.806 71.192 1.00737.35 C ATOM 5013 N9 A 0 233 184.348 -5.842 70.245 1.00737.35 N ATOM 5014 C8 A 0 233 184.972 -4.649 70.517 1.00737.35 C ATOM 5015 N7 A 0 233 185.371 -4.005 69.448 1.00737.35 N ATOM 5016 C5 A 0 233 184.987 -4.827 68.399 1.00737.35 C ATOM 5017 C6 A 0 233 185.123 -4.710 67.004 1.00737.35 C ATOM 5018 N6 A 0 233 185.711 -3.672 66.402 1.00737.35 N ATOM 5019 N1 A 0 233 184.631 -5.706 66.239 1.00737.35 N ATOM 5020 C2 A 0 233 184.042 -6.746 66.841 1.00737.35 C ATOM 5021 N3 A 0 233 183.853 -6.971 68.139 1.00737.35 N ATOM 5022 C4 A 0 233 184.354 -5.961 68.874 1.00737.35 C ATOM 5023 P C 0 234 187.407 -8.855 73.555 1.00737.35 P ATOM 5024 O1P C 0 234 187.685 -9.816 74.652 1.00737.35 O ATOM 5025 O2P C 0 234 188.260 -7.648 73.404 1.00737.35 O ATOM 5026 O5* C 0 234 187.424 -9.654 72.177 1.00737.35 O ATOM 5027 C5* C 0 234 186.671 -10.854 72.019 1.00737.35 C ATOM 5028 C4* C 0 234 186.734 -11.331 70.585 1.00737.35 C ATOM 5029 O4* C 0 234 186.109 -10.350 69.718 1.00737.35 O ATOM 5030 C3* C 0 234 188.129 -11.506 70.007 1.00737.35 C ATOM 5031 O3* C 0 234 188.674 -12.771 70.365 1.00737.35 O ATOM 5032 C2* C 0 234 187.871 -11.396 68.509 1.00737.35 C ATOM 5033 O2* C 0 234 187.389 -12.596 67.936 1.00737.35 O ATOM 5034 C1* C 0 234 186.777 -10.326 68.466 1.00737.35 C ATOM 5035 N1 C 0 234 187.295 -8.961 68.229 1.00737.35 N ATOM 5036 C2 C 0 234 187.465 -8.518 66.907 1.00737.35 C ATOM 5037 O2 C 0 234 187.173 -9.279 65.969 1.00737.35 O ATOM 5038 N3 C 0 234 187.938 -7.271 66.685 1.00737.35 N ATOM 5039 C4 C 0 234 188.242 -6.477 67.715 1.00737.35 C ATOM 5040 N4 C 0 234 188.709 -5.255 67.447 1.00737.35 N ATOM 5041 C5 C 0 234 188.081 -6.899 69.066 1.00737.35 C ATOM 5042 C6 C 0 234 187.609 -8.136 69.276 1.00737.35 C ATOM 5043 P C 0 235 190.259 -12.923 70.579 1.00737.35 P ATOM 5044 O1P C 0 235 190.516 -14.326 70.994 1.00737.35 O ATOM 5045 O2P C 0 235 190.727 -11.810 71.443 1.00737.35 O ATOM 5046 O5* C 0 235 190.863 -12.712 69.121 1.00737.35 O ATOM 5047 C5* C 0 235 190.743 -13.722 68.122 1.00737.35 C ATOM 5048 C4* C 0 235 191.579 -13.368 66.915 1.00737.35 C ATOM 5049 O4* C 0 235 191.020 -12.200 66.258 1.00737.35 O ATOM 5050 C3* C 0 235 193.021 -12.979 67.203 1.00737.35 C ATOM 5051 O3* C 0 235 193.848 -14.129 67.340 1.00737.35 O ATOM 5052 C2* C 0 235 193.382 -12.152 65.977 1.00737.35 C ATOM 5053 O2* C 0 235 193.729 -12.942 64.855 1.00737.35 O ATOM 5054 C1* C 0 235 192.066 -11.415 65.708 1.00737.35 C ATOM 5055 N1 C 0 235 192.014 -10.065 66.304 1.00737.35 N ATOM 5056 C2 C 0 235 192.524 -8.977 65.571 1.00737.35 C ATOM 5057 O2 C 0 235 193.004 -9.179 64.443 1.00737.35 O ATOM 5058 N3 C 0 235 192.483 -7.739 66.114 1.00737.35 N ATOM 5059 C4 C 0 235 191.962 -7.559 67.331 1.00737.35 C ATOM 5060 N4 C 0 235 191.942 -6.319 67.826 1.00737.35 N ATOM 5061 C5 C 0 235 191.437 -8.643 68.095 1.00737.35 C ATOM 5062 C6 C 0 235 191.482 -9.865 67.550 1.00737.35 C ATOM 5063 P C 0 236 194.926 -14.196 68.530 1.00737.35 P ATOM 5064 O1P C 0 236 195.743 -15.419 68.319 1.00737.35 O ATOM 5065 O2P C 0 236 194.214 -14.004 69.821 1.00737.35 O ATOM 5066 O5* C 0 236 195.856 -12.926 68.280 1.00737.35 O ATOM 5067 C5* C 0 236 196.609 -12.797 67.079 1.00737.35 C ATOM 5068 C4* C 0 236 197.428 -11.527 67.099 1.00737.35 C ATOM 5069 O4* C 0 236 196.545 -10.375 67.132 1.00737.35 O ATOM 5070 C3* C 0 236 198.327 -11.329 68.309 1.00737.35 C ATOM 5071 O3* C 0 236 199.550 -12.046 68.162 1.00737.35 O ATOM 5072 C2* C 0 236 198.544 -9.821 68.303 1.00737.35 C ATOM 5073 O2* C 0 236 199.543 -9.407 67.391 1.00737.35 O ATOM 5074 C1* C 0 236 197.175 -9.316 67.835 1.00737.35 C ATOM 5075 N1 C 0 236 196.298 -8.879 68.943 1.00737.35 N ATOM 5076 C2 C 0 236 196.340 -7.537 69.352 1.00737.35 C ATOM 5077 O2 C 0 236 197.101 -6.748 68.767 1.00737.35 O ATOM 5078 N3 C 0 236 195.550 -7.130 70.372 1.00737.35 N ATOM 5079 C4 C 0 236 194.744 -8.003 70.980 1.00737.35 C ATOM 5080 N4 C 0 236 193.988 -7.554 71.986 1.00737.35 N ATOM 5081 C5 C 0 236 194.674 -9.370 70.583 1.00737.35 C ATOM 5082 C6 C 0 236 195.460 -9.762 69.571 1.00737.35 C ATOM 5083 P G 0 237 200.378 -12.487 69.467 1.00737.35 P ATOM 5084 O1P G 0 237 201.494 -13.353 69.010 1.00737.35 O ATOM 5085 O2P G 0 237 199.423 -13.001 70.483 1.00737.35 O ATOM 5086 O5* G 0 237 200.994 -11.121 70.010 1.00737.35 O ATOM 5087 C5* G 0 237 202.002 -10.432 69.275 1.00737.35 C ATOM 5088 C4* G 0 237 202.403 -9.159 69.989 1.00737.35 C ATOM 5089 O4* G 0 237 201.275 -8.248 70.026 1.00737.35 O ATOM 5090 C3* G 0 237 202.802 -9.310 71.448 1.00737.35 C ATOM 5091 O3* G 0 237 204.163 -9.712 71.571 1.00737.35 O ATOM 5092 C2* G 0 237 202.578 -7.904 71.988 1.00737.35 C ATOM 5093 O2* G 0 237 203.643 -7.020 71.703 1.00737.35 O ATOM 5094 C1* G 0 237 201.326 -7.475 71.216 1.00737.35 C ATOM 5095 N9 G 0 237 200.085 -7.670 71.960 1.00737.35 N ATOM 5096 C8 G 0 237 199.223 -8.740 71.884 1.00737.35 C ATOM 5097 N7 G 0 237 198.196 -8.631 72.681 1.00737.35 N ATOM 5098 C5 G 0 237 198.389 -7.417 73.325 1.00737.35 C ATOM 5099 C6 G 0 237 197.600 -6.759 74.309 1.00737.35 C ATOM 5100 O6 G 0 237 196.539 -7.131 74.822 1.00737.35 O ATOM 5101 N1 G 0 237 198.166 -5.546 74.690 1.00737.35 N ATOM 5102 C2 G 0 237 199.337 -5.029 74.191 1.00737.35 C ATOM 5103 N2 G 0 237 199.716 -3.843 74.685 1.00737.35 N ATOM 5104 N3 G 0 237 200.079 -5.629 73.277 1.00737.35 N ATOM 5105 C4 G 0 237 199.549 -6.811 72.892 1.00737.35 C ATOM 5106 P G 0 238 204.614 -10.635 72.808 1.00737.35 P ATOM 5107 O1P G 0 238 206.079 -10.859 72.681 1.00737.35 O ATOM 5108 O2P G 0 238 203.701 -11.804 72.880 1.00737.35 O ATOM 5109 O5* G 0 238 204.356 -9.721 74.087 1.00737.35 O ATOM 5110 C5* G 0 238 205.107 -8.526 74.299 1.00737.35 C ATOM 5111 C4* G 0 238 204.478 -7.696 75.392 1.00737.35 C ATOM 5112 O4* G 0 238 203.140 -7.299 74.988 1.00737.35 O ATOM 5113 C3* G 0 238 204.271 -8.393 76.727 1.00737.35 C ATOM 5114 O3* G 0 238 205.456 -8.361 77.516 1.00737.35 O ATOM 5115 C2* G 0 238 203.148 -7.574 77.349 1.00737.35 C ATOM 5116 O2* G 0 238 203.595 -6.366 77.935 1.00737.35 O ATOM 5117 C1* G 0 238 202.288 -7.268 76.122 1.00737.35 C ATOM 5118 N9 G 0 238 201.209 -8.235 75.921 1.00737.35 N ATOM 5119 C8 G 0 238 201.231 -9.354 75.122 1.00737.35 C ATOM 5120 N7 G 0 238 200.115 -10.030 75.155 1.00737.35 N ATOM 5121 C5 G 0 238 199.305 -9.315 76.028 1.00737.35 C ATOM 5122 C6 G 0 238 197.976 -9.562 76.458 1.00737.35 C ATOM 5123 O6 G 0 238 197.226 -10.494 76.145 1.00737.35 O ATOM 5124 N1 G 0 238 197.539 -8.587 77.348 1.00737.35 N ATOM 5125 C2 G 0 238 198.279 -7.509 77.765 1.00737.35 C ATOM 5126 N2 G 0 238 197.677 -6.677 78.626 1.00737.35 N ATOM 5127 N3 G 0 238 199.519 -7.267 77.373 1.00737.35 N ATOM 5128 C4 G 0 238 199.965 -8.204 76.508 1.00737.35 C ATOM 5129 P A 0 239 205.610 -9.357 78.773 1.00737.35 P ATOM 5130 O1P A 0 239 207.041 -9.342 79.171 1.00737.35 O ATOM 5131 O2P A 0 239 204.955 -10.648 78.441 1.00737.35 O ATOM 5132 O5* A 0 239 204.765 -8.650 79.924 1.00737.35 O ATOM 5133 C5* A 0 239 205.198 -7.419 80.500 1.00737.35 C ATOM 5134 C4* A 0 239 204.344 -7.059 81.694 1.00737.35 C ATOM 5135 O4* A 0 239 202.986 -6.790 81.259 1.00737.35 O ATOM 5136 C3* A 0 239 204.187 -8.138 82.753 1.00737.35 C ATOM 5137 O3* A 0 239 205.299 -8.136 83.644 1.00737.35 O ATOM 5138 C2* A 0 239 202.899 -7.719 83.454 1.00737.35 C ATOM 5139 O2* A 0 239 203.096 -6.701 84.415 1.00737.35 O ATOM 5140 C1* A 0 239 202.076 -7.168 82.283 1.00737.35 C ATOM 5141 N9 A 0 239 201.119 -8.128 81.727 1.00737.35 N ATOM 5142 C8 A 0 239 201.364 -9.156 80.850 1.00737.35 C ATOM 5143 N7 A 0 239 200.299 -9.850 80.537 1.00737.35 N ATOM 5144 C5 A 0 239 199.281 -9.240 81.257 1.00737.35 C ATOM 5145 C6 A 0 239 197.903 -9.505 81.356 1.00737.35 C ATOM 5146 N6 A 0 239 197.293 -10.498 80.707 1.00737.35 N ATOM 5147 N1 A 0 239 197.164 -8.706 82.160 1.00737.35 N ATOM 5148 C2 A 0 239 197.781 -7.712 82.814 1.00737.35 C ATOM 5149 N3 A 0 239 199.067 -7.364 82.801 1.00737.35 N ATOM 5150 C4 A 0 239 199.772 -8.176 81.993 1.00737.35 C ATOM 5151 P U 0 240 206.006 -9.525 84.045 1.00737.35 P ATOM 5152 O1P U 0 240 207.087 -9.207 85.010 1.00737.35 O ATOM 5153 O2P U 0 240 206.331 -10.261 82.797 1.00737.35 O ATOM 5154 O5* U 0 240 204.868 -10.333 84.817 1.00737.35 O ATOM 5155 C5* U 0 240 204.318 -9.838 86.034 1.00737.35 C ATOM 5156 C4* U 0 240 202.985 -10.498 86.314 1.00737.35 C ATOM 5157 O4* U 0 240 202.070 -10.193 85.228 1.00737.35 O ATOM 5158 C3* U 0 240 202.994 -12.017 86.379 1.00737.35 C ATOM 5159 O3* U 0 240 203.372 -12.473 87.677 1.00737.35 O ATOM 5160 C2* U 0 240 201.548 -12.360 86.051 1.00737.35 C ATOM 5161 O2* U 0 240 200.677 -12.212 87.155 1.00737.35 O ATOM 5162 C1* U 0 240 201.221 -11.305 84.989 1.00737.35 C ATOM 5163 N1 U 0 240 201.437 -11.779 83.611 1.00737.35 N ATOM 5164 C2 U 0 240 200.365 -12.359 82.947 1.00737.35 C ATOM 5165 O2 U 0 240 199.260 -12.490 83.451 1.00737.35 O ATOM 5166 N3 U 0 240 200.636 -12.782 81.669 1.00737.35 N ATOM 5167 C4 U 0 240 201.837 -12.689 80.999 1.00737.35 C ATOM 5168 O4 U 0 240 201.922 -13.117 79.846 1.00737.35 O ATOM 5169 C5 U 0 240 202.893 -12.080 81.744 1.00737.35 C ATOM 5170 C6 U 0 240 202.664 -11.655 82.992 1.00737.35 C ATOM 5171 P C 0 241 203.842 -13.998 87.881 1.00737.35 P ATOM 5172 O1P C 0 241 204.196 -14.162 89.315 1.00737.35 O ATOM 5173 O2P C 0 241 204.848 -14.327 86.836 1.00737.35 O ATOM 5174 O5* C 0 241 202.520 -14.844 87.600 1.00737.35 O ATOM 5175 C5* C 0 241 202.580 -16.239 87.315 1.00737.35 C ATOM 5176 C4* C 0 241 201.227 -16.730 86.856 1.00737.35 C ATOM 5177 O4* C 0 241 200.789 -15.925 85.729 1.00737.35 O ATOM 5178 C3* C 0 241 201.174 -18.160 86.345 1.00737.35 C ATOM 5179 O3* C 0 241 201.018 -19.088 87.418 1.00737.35 O ATOM 5180 C2* C 0 241 199.948 -18.132 85.440 1.00737.35 C ATOM 5181 O2* C 0 241 198.730 -18.239 86.150 1.00737.35 O ATOM 5182 C1* C 0 241 200.057 -16.735 84.823 1.00737.35 C ATOM 5183 N1 C 0 241 200.738 -16.717 83.510 1.00737.35 N ATOM 5184 C2 C 0 241 199.975 -16.920 82.348 1.00737.35 C ATOM 5185 O2 C 0 241 198.749 -17.107 82.448 1.00737.35 O ATOM 5186 N3 C 0 241 200.592 -16.909 81.143 1.00737.35 N ATOM 5187 C4 C 0 241 201.910 -16.705 81.071 1.00737.35 C ATOM 5188 N4 C 0 241 202.476 -16.702 79.861 1.00737.35 N ATOM 5189 C5 C 0 241 202.708 -16.494 82.233 1.00737.35 C ATOM 5190 C6 C 0 241 202.086 -16.509 83.420 1.00737.35 C ATOM 5191 P A 0 242 201.565 -20.597 87.266 1.00737.35 P ATOM 5192 O1P A 0 242 202.362 -20.892 88.481 1.00737.35 O ATOM 5193 O2P A 0 242 202.184 -20.763 85.923 1.00737.35 O ATOM 5194 O5* A 0 242 200.249 -21.496 87.317 1.00737.35 O ATOM 5195 C5* A 0 242 199.119 -21.185 86.505 1.00737.35 C ATOM 5196 C4* A 0 242 197.850 -21.699 87.145 1.00737.35 C ATOM 5197 O4* A 0 242 197.822 -21.326 88.543 1.00737.35 O ATOM 5198 C3* A 0 242 196.570 -21.130 86.551 1.00737.35 C ATOM 5199 O3* A 0 242 196.226 -21.816 85.334 1.00737.35 O ATOM 5200 C2* A 0 242 195.571 -21.141 87.715 1.00737.35 C ATOM 5201 O2* A 0 242 194.705 -22.247 87.815 1.00737.35 O ATOM 5202 C1* A 0 242 196.486 -21.087 88.942 1.00737.35 C ATOM 5203 N9 A 0 242 196.442 -19.845 89.712 1.00737.35 N ATOM 5204 C8 A 0 242 196.812 -18.579 89.333 1.00737.35 C ATOM 5205 N7 A 0 242 196.655 -17.678 90.273 1.00737.35 N ATOM 5206 C5 A 0 242 196.146 -18.401 91.344 1.00737.35 C ATOM 5207 C6 A 0 242 195.766 -18.024 92.644 1.00737.35 C ATOM 5208 N6 A 0 242 195.838 -16.778 93.106 1.00737.35 N ATOM 5209 N1 A 0 242 195.298 -18.991 93.465 1.00737.35 N ATOM 5210 C2 A 0 242 195.221 -20.243 93.002 1.00737.35 C ATOM 5211 N3 A 0 242 195.544 -20.719 91.802 1.00737.35 N ATOM 5212 C4 A 0 242 196.006 -19.735 91.011 1.00737.35 C ATOM 5213 P G 0 243 195.399 -23.204 85.364 1.00737.35 P ATOM 5214 O1P G 0 243 195.808 -23.961 84.153 1.00737.35 O ATOM 5215 O2P G 0 243 193.960 -22.904 85.585 1.00737.35 O ATOM 5216 O5* G 0 243 195.978 -23.989 86.629 1.00737.35 O ATOM 5217 C5* G 0 243 195.336 -25.165 87.127 1.00737.35 C ATOM 5218 C4* G 0 243 195.532 -25.276 88.623 1.00737.35 C ATOM 5219 O4* G 0 243 195.053 -24.060 89.261 1.00737.35 O ATOM 5220 C3* G 0 243 194.762 -26.397 89.305 1.00737.35 C ATOM 5221 O3* G 0 243 195.486 -27.624 89.269 1.00737.35 O ATOM 5222 C2* G 0 243 194.593 -25.865 90.724 1.00737.35 C ATOM 5223 O2* G 0 243 195.745 -26.040 91.526 1.00737.35 O ATOM 5224 C1* G 0 243 194.363 -24.377 90.459 1.00737.35 C ATOM 5225 N9 G 0 243 192.956 -24.028 90.279 1.00737.35 N ATOM 5226 C8 G 0 243 192.188 -24.238 89.158 1.00737.35 C ATOM 5227 N7 G 0 243 190.959 -23.821 89.289 1.00737.35 N ATOM 5228 C5 G 0 243 190.907 -23.301 90.576 1.00737.35 C ATOM 5229 C6 G 0 243 189.832 -22.700 91.279 1.00737.35 C ATOM 5230 O6 G 0 243 188.672 -22.505 90.893 1.00737.35 O ATOM 5231 N1 G 0 243 190.211 -22.310 92.558 1.00737.35 N ATOM 5232 C2 G 0 243 191.465 -22.472 93.095 1.00737.35 C ATOM 5233 N2 G 0 243 191.629 -22.026 94.352 1.00737.35 N ATOM 5234 N3 G 0 243 192.478 -23.031 92.449 1.00737.35 N ATOM 5235 C4 G 0 243 192.132 -23.419 91.202 1.00737.35 C ATOM 5236 P C 0 244 194.785 -28.978 89.781 1.00737.35 P ATOM 5237 O1P C 0 244 195.779 -30.073 89.637 1.00737.35 O ATOM 5238 O2P C 0 244 193.458 -29.102 89.122 1.00737.35 O ATOM 5239 O5* C 0 244 194.562 -28.718 91.338 1.00737.35 O ATOM 5240 C5* C 0 244 193.505 -29.352 92.050 1.00737.35 C ATOM 5241 C4* C 0 244 193.122 -28.525 93.257 1.00737.35 C ATOM 5242 O4* C 0 244 192.705 -27.202 92.820 1.00737.35 O ATOM 5243 C3* C 0 244 191.934 -29.044 94.047 1.00737.35 C ATOM 5244 O3* C 0 244 192.332 -30.042 94.986 1.00737.35 O ATOM 5245 C2* C 0 244 191.431 -27.785 94.744 1.00737.35 C ATOM 5246 O2* C 0 244 192.172 -27.455 95.900 1.00737.35 O ATOM 5247 C1* C 0 244 191.663 -26.727 93.659 1.00737.35 C ATOM 5248 N1 C 0 244 190.465 -26.458 92.833 1.00737.35 N ATOM 5249 C2 C 0 244 189.511 -25.533 93.297 1.00737.35 C ATOM 5250 O2 C 0 244 189.696 -24.963 94.386 1.00737.35 O ATOM 5251 N3 C 0 244 188.412 -25.286 92.547 1.00737.35 N ATOM 5252 C4 C 0 244 188.244 -25.915 91.382 1.00737.35 C ATOM 5253 N4 C 0 244 187.142 -25.636 90.678 1.00737.35 N ATOM 5254 C5 C 0 244 189.195 -26.856 90.887 1.00737.35 C ATOM 5255 C6 C 0 244 190.277 -27.095 91.636 1.00737.35 C ATOM 5256 P C 0 245 191.360 -31.288 95.282 1.00737.35 P ATOM 5257 O1P C 0 245 191.466 -31.587 96.733 1.00737.35 O ATOM 5258 O2P C 0 245 191.657 -32.352 94.290 1.00737.35 O ATOM 5259 O5* C 0 245 189.905 -30.714 94.976 1.00737.35 O ATOM 5260 C5* C 0 245 188.843 -30.841 95.915 1.00737.35 C ATOM 5261 C4* C 0 245 188.344 -29.474 96.322 1.00737.35 C ATOM 5262 O4* C 0 245 188.084 -28.682 95.133 1.00737.35 O ATOM 5263 C3* C 0 245 187.032 -29.458 97.090 1.00737.35 C ATOM 5264 O3* C 0 245 187.256 -29.671 98.480 1.00737.35 O ATOM 5265 C2* C 0 245 186.503 -28.055 96.805 1.00737.35 C ATOM 5266 O2* C 0 245 187.076 -27.067 97.637 1.00737.35 O ATOM 5267 C1* C 0 245 186.965 -27.840 95.359 1.00737.35 C ATOM 5268 N1 C 0 245 185.935 -28.141 94.343 1.00737.35 N ATOM 5269 C2 C 0 245 185.062 -27.116 93.942 1.00737.35 C ATOM 5270 O2 C 0 245 185.166 -25.991 94.461 1.00737.35 O ATOM 5271 N3 C 0 245 184.125 -27.379 93.002 1.00737.35 N ATOM 5272 C4 C 0 245 184.035 -28.601 92.472 1.00737.35 C ATOM 5273 N4 C 0 245 183.093 -28.810 91.548 1.00737.35 N ATOM 5274 C5 C 0 245 184.903 -29.659 92.863 1.00737.35 C ATOM 5275 C6 C 0 245 185.831 -29.389 93.792 1.00737.35 C ATOM 5276 P C 0 246 186.292 -30.661 99.299 1.00737.35 P ATOM 5277 O1P C 0 246 186.743 -30.640 100.714 1.00737.35 O ATOM 5278 O2P C 0 246 186.224 -31.956 98.571 1.00737.35 O ATOM 5279 O5* C 0 246 184.866 -29.954 99.228 1.00737.35 O ATOM 5280 C5* C 0 246 183.663 -30.718 99.272 1.00737.35 C ATOM 5281 C4* C 0 246 182.478 -29.815 99.518 1.00737.35 C ATOM 5282 O4* C 0 246 182.472 -28.747 98.536 1.00737.35 O ATOM 5283 C3* C 0 246 181.118 -30.478 99.362 1.00737.35 C ATOM 5284 O3* C 0 246 180.731 -31.153 100.556 1.00737.35 O ATOM 5285 C2* C 0 246 180.217 -29.292 99.047 1.00737.35 C ATOM 5286 O2* C 0 246 179.836 -28.558 100.194 1.00737.35 O ATOM 5287 C1* C 0 246 181.137 -28.441 98.167 1.00737.35 C ATOM 5288 N1 C 0 246 180.973 -28.708 96.724 1.00737.35 N ATOM 5289 C2 C 0 246 180.023 -27.968 96.000 1.00737.35 C ATOM 5290 O2 C 0 246 179.349 -27.104 96.588 1.00737.35 O ATOM 5291 N3 C 0 246 179.865 -28.214 94.679 1.00737.35 N ATOM 5292 C4 C 0 246 180.605 -29.149 94.079 1.00737.35 C ATOM 5293 N4 C 0 246 180.410 -29.358 92.775 1.00737.35 N ATOM 5294 C5 C 0 246 181.576 -29.912 94.787 1.00737.35 C ATOM 5295 C6 C 0 246 181.729 -29.661 96.094 1.00737.35 C ATOM 5296 P A 0 247 179.950 -32.554 100.461 1.00737.35 P ATOM 5297 O1P A 0 247 179.880 -33.110 101.838 1.00737.35 O ATOM 5298 O2P A 0 247 180.567 -33.361 99.378 1.00737.35 O ATOM 5299 O5* A 0 247 178.480 -32.143 99.997 1.00737.35 O ATOM 5300 C5* A 0 247 177.439 -31.942 100.954 1.00737.35 C ATOM 5301 C4* A 0 247 176.110 -31.769 100.258 1.00737.35 C ATOM 5302 O4* A 0 247 176.102 -30.525 99.514 1.00737.35 O ATOM 5303 C3* A 0 247 175.756 -32.819 99.217 1.00737.35 C ATOM 5304 O3* A 0 247 175.211 -33.986 99.827 1.00737.35 O ATOM 5305 C2* A 0 247 174.721 -32.090 98.367 1.00737.35 C ATOM 5306 O2* A 0 247 173.428 -32.105 98.939 1.00737.35 O ATOM 5307 C1* A 0 247 175.270 -30.660 98.376 1.00737.35 C ATOM 5308 N9 A 0 247 176.049 -30.318 97.183 1.00737.35 N ATOM 5309 C8 A 0 247 177.259 -30.822 96.774 1.00737.35 C ATOM 5310 N7 A 0 247 177.693 -30.313 95.646 1.00737.35 N ATOM 5311 C5 A 0 247 176.704 -29.407 95.290 1.00737.35 C ATOM 5312 C6 A 0 247 176.565 -28.540 94.190 1.00737.35 C ATOM 5313 N6 A 0 247 177.463 -28.440 93.206 1.00737.35 N ATOM 5314 N1 A 0 247 175.457 -27.769 94.135 1.00737.35 N ATOM 5315 C2 A 0 247 174.556 -27.870 95.119 1.00737.35 C ATOM 5316 N3 A 0 247 174.575 -28.646 96.200 1.00737.35 N ATOM 5317 C4 A 0 247 175.686 -29.398 96.225 1.00737.35 C ATOM 5318 P A 0 248 175.887 -35.419 99.555 1.00737.35 P ATOM 5319 O1P A 0 248 175.032 -36.439 100.211 1.00737.35 O ATOM 5320 O2P A 0 248 177.328 -35.333 99.910 1.00737.35 O ATOM 5321 O5* A 0 248 175.767 -35.618 97.977 1.00737.35 O ATOM 5322 C5* A 0 248 176.455 -36.681 97.321 1.00737.35 C ATOM 5323 C4* A 0 248 175.712 -37.098 96.073 1.00737.35 C ATOM 5324 O4* A 0 248 175.573 -35.958 95.186 1.00737.35 O ATOM 5325 C3* A 0 248 176.411 -38.148 95.223 1.00737.35 C ATOM 5326 O3* A 0 248 176.142 -39.460 95.701 1.00737.35 O ATOM 5327 C2* A 0 248 175.795 -37.915 93.848 1.00737.35 C ATOM 5328 O2* A 0 248 174.527 -38.521 93.694 1.00737.35 O ATOM 5329 C1* A 0 248 175.647 -36.392 93.835 1.00737.35 C ATOM 5330 N9 A 0 248 176.764 -35.705 93.184 1.00737.35 N ATOM 5331 C8 A 0 248 177.874 -35.141 93.768 1.00737.35 C ATOM 5332 N7 A 0 248 178.704 -34.599 92.911 1.00737.35 N ATOM 5333 C5 A 0 248 178.105 -34.821 91.680 1.00737.35 C ATOM 5334 C6 A 0 248 178.488 -34.493 90.369 1.00737.35 C ATOM 5335 N6 A 0 248 179.615 -33.844 90.068 1.00737.35 N ATOM 5336 N1 A 0 248 177.663 -34.854 89.362 1.00737.35 N ATOM 5337 C2 A 0 248 176.534 -35.509 89.665 1.00737.35 C ATOM 5338 N3 A 0 248 176.067 -35.879 90.856 1.00737.35 N ATOM 5339 C4 A 0 248 176.908 -35.501 91.832 1.00737.35 C ATOM 5340 P A 0 292 200.902 -26.814 97.076 1.00737.35 P ATOM 5341 O1P A 0 292 201.203 -25.725 96.114 1.00737.35 O ATOM 5342 O2P A 0 292 202.013 -27.480 97.802 1.00737.35 O ATOM 5343 O5* A 0 292 199.862 -26.260 98.150 1.00737.35 O ATOM 5344 C5* A 0 292 200.222 -25.215 99.049 1.00737.35 C ATOM 5345 C4* A 0 292 199.105 -24.964 100.032 1.00737.35 C ATOM 5346 O4* A 0 292 198.801 -26.196 100.738 1.00737.35 O ATOM 5347 C3* A 0 292 199.419 -23.963 101.133 1.00737.35 C ATOM 5348 O3* A 0 292 199.187 -22.627 100.695 1.00737.35 O ATOM 5349 C2* A 0 292 198.451 -24.381 102.233 1.00737.35 C ATOM 5350 O2* A 0 292 197.138 -23.891 102.039 1.00737.35 O ATOM 5351 C1* A 0 292 198.464 -25.904 102.085 1.00737.35 C ATOM 5352 N9 A 0 292 199.436 -26.564 102.959 1.00737.35 N ATOM 5353 C8 A 0 292 200.747 -26.873 102.686 1.00737.35 C ATOM 5354 N7 A 0 292 201.370 -27.466 103.677 1.00737.35 N ATOM 5355 C5 A 0 292 200.404 -27.558 104.670 1.00737.35 C ATOM 5356 C6 A 0 292 200.433 -28.087 105.972 1.00737.35 C ATOM 5357 N6 A 0 292 201.513 -28.651 106.516 1.00737.35 N ATOM 5358 N1 A 0 292 199.300 -28.021 106.702 1.00737.35 N ATOM 5359 C2 A 0 292 198.216 -27.458 106.154 1.00737.35 C ATOM 5360 N3 A 0 292 198.064 -26.924 104.943 1.00737.35 N ATOM 5361 C4 A 0 292 199.208 -27.006 104.242 1.00737.35 C ATOM 5362 P U 0 293 199.919 -21.403 101.440 1.00737.35 P ATOM 5363 O1P U 0 293 199.595 -20.169 100.682 1.00737.35 O ATOM 5364 O2P U 0 293 201.340 -21.772 101.673 1.00737.35 O ATOM 5365 O5* U 0 293 199.179 -21.319 102.850 1.00737.35 O ATOM 5366 C5* U 0 293 199.776 -20.647 103.959 1.00737.35 C ATOM 5367 C4* U 0 293 198.787 -20.536 105.095 1.00737.35 C ATOM 5368 O4* U 0 293 198.251 -21.853 105.394 1.00737.35 O ATOM 5369 C3* U 0 293 199.365 -20.051 106.416 1.00737.35 C ATOM 5370 O3* U 0 293 199.408 -18.629 106.471 1.00737.35 O ATOM 5371 C2* U 0 293 198.384 -20.630 107.430 1.00737.35 C ATOM 5372 O2* U 0 293 197.206 -19.859 107.568 1.00737.35 O ATOM 5373 C1* U 0 293 198.044 -21.981 106.792 1.00737.35 C ATOM 5374 N1 U 0 293 198.870 -23.095 107.289 1.00737.35 N ATOM 5375 C2 U 0 293 198.433 -23.771 108.421 1.00737.35 C ATOM 5376 O2 U 0 293 197.406 -23.482 109.017 1.00737.35 O ATOM 5377 N3 U 0 293 199.246 -24.799 108.830 1.00737.35 N ATOM 5378 C4 U 0 293 200.422 -25.214 108.241 1.00737.35 C ATOM 5379 O4 U 0 293 201.040 -26.165 108.726 1.00737.35 O ATOM 5380 C5 U 0 293 200.809 -24.467 107.084 1.00737.35 C ATOM 5381 C6 U 0 293 200.040 -23.460 106.658 1.00737.35 C ATOM 5382 P U 0 294 200.563 -17.900 107.318 1.00737.35 P ATOM 5383 O1P U 0 294 200.278 -16.442 107.288 1.00737.35 O ATOM 5384 O2P U 0 294 201.879 -18.397 106.840 1.00737.35 O ATOM 5385 O5* U 0 294 200.331 -18.416 108.807 1.00737.35 O ATOM 5386 C5* U 0 294 201.400 -18.440 109.753 1.00737.35 C ATOM 5387 C4* U 0 294 201.025 -19.296 110.939 1.00737.35 C ATOM 5388 O4* U 0 294 200.586 -20.599 110.471 1.00737.35 O ATOM 5389 C3* U 0 294 202.160 -19.601 111.907 1.00737.35 C ATOM 5390 O3* U 0 294 202.324 -18.560 112.865 1.00737.35 O ATOM 5391 C2* U 0 294 201.693 -20.900 112.550 1.00737.35 C ATOM 5392 O2* U 0 294 200.740 -20.704 113.577 1.00737.35 O ATOM 5393 C1* U 0 294 201.039 -21.608 111.361 1.00737.35 C ATOM 5394 N1 U 0 294 201.961 -22.498 110.631 1.00737.35 N ATOM 5395 C2 U 0 294 202.132 -23.789 111.111 1.00737.35 C ATOM 5396 O2 U 0 294 201.555 -24.216 112.101 1.00737.35 O ATOM 5397 N3 U 0 294 203.008 -24.562 110.387 1.00737.35 N ATOM 5398 C4 U 0 294 203.712 -24.189 109.260 1.00737.35 C ATOM 5399 O4 U 0 294 204.473 -24.997 108.727 1.00737.35 O ATOM 5400 C5 U 0 294 203.483 -22.845 108.829 1.00737.35 C ATOM 5401 C6 U 0 294 202.636 -22.066 109.509 1.00737.35 C ATOM 5402 P C 0 295 203.758 -18.329 113.554 1.00737.35 P ATOM 5403 O1P C 0 295 203.617 -17.185 114.489 1.00737.35 O ATOM 5404 O2P C 0 295 204.790 -18.281 112.486 1.00737.35 O ATOM 5405 O5* C 0 295 203.993 -19.652 114.411 1.00737.35 O ATOM 5406 C5* C 0 295 203.247 -19.897 115.602 1.00737.35 C ATOM 5407 C4* C 0 295 203.700 -21.185 116.255 1.00737.35 C ATOM 5408 O4* C 0 295 203.380 -22.305 115.393 1.00737.35 O ATOM 5409 C3* C 0 295 205.194 -21.319 116.505 1.00737.35 C ATOM 5410 O3* C 0 295 205.573 -20.670 117.713 1.00737.35 O ATOM 5411 C2* C 0 295 205.369 -22.831 116.592 1.00737.35 C ATOM 5412 O2* C 0 295 205.030 -23.358 117.858 1.00737.35 O ATOM 5413 C1* C 0 295 204.365 -23.317 115.543 1.00737.35 C ATOM 5414 N1 C 0 295 204.971 -23.596 114.224 1.00737.35 N ATOM 5415 C2 C 0 295 205.558 -24.852 113.999 1.00737.35 C ATOM 5416 O2 C 0 295 205.556 -25.698 114.912 1.00737.35 O ATOM 5417 N3 C 0 295 206.113 -25.116 112.793 1.00737.35 N ATOM 5418 C4 C 0 295 206.102 -24.187 111.836 1.00737.35 C ATOM 5419 N4 C 0 295 206.661 -24.492 110.663 1.00737.35 N ATOM 5420 C5 C 0 295 205.517 -22.902 112.035 1.00737.35 C ATOM 5421 C6 C 0 295 204.968 -22.651 113.233 1.00737.35 C ATOM 5422 P A 0 296 207.050 -20.043 117.852 1.00737.35 P ATOM 5423 O1P A 0 296 207.102 -19.327 119.153 1.00737.35 O ATOM 5424 O2P A 0 296 207.370 -19.312 116.599 1.00737.35 O ATOM 5425 O5* A 0 296 208.003 -21.319 117.938 1.00737.35 O ATOM 5426 C5* A 0 296 208.155 -22.043 119.159 1.00737.35 C ATOM 5427 C4* A 0 296 209.196 -23.128 119.003 1.00737.35 C ATOM 5428 O4* A 0 296 208.718 -24.128 118.066 1.00737.35 O ATOM 5429 C3* A 0 296 210.535 -22.684 118.434 1.00737.35 C ATOM 5430 O3* A 0 296 211.376 -22.154 119.455 1.00737.35 O ATOM 5431 C2* A 0 296 211.085 -23.982 117.852 1.00737.35 C ATOM 5432 O2* A 0 296 211.684 -24.817 118.823 1.00737.35 O ATOM 5433 C1* A 0 296 209.810 -24.641 117.317 1.00737.35 C ATOM 5434 N9 A 0 296 209.562 -24.378 115.896 1.00737.35 N ATOM 5435 C8 A 0 296 208.727 -23.437 115.343 1.00737.35 C ATOM 5436 N7 A 0 296 208.714 -23.447 114.032 1.00737.35 N ATOM 5437 C5 A 0 296 209.601 -24.461 113.699 1.00737.35 C ATOM 5438 C6 A 0 296 210.031 -24.970 112.462 1.00737.35 C ATOM 5439 N6 A 0 296 209.603 -24.511 111.284 1.00737.35 N ATOM 5440 N1 A 0 296 210.926 -25.982 112.476 1.00737.35 N ATOM 5441 C2 A 0 296 211.350 -26.444 113.657 1.00737.35 C ATOM 5442 N3 A 0 296 211.022 -26.049 114.886 1.00737.35 N ATOM 5443 C4 A 0 296 210.132 -25.043 114.838 1.00737.35 C ATOM 5444 P A 0 297 212.462 -21.026 119.090 1.00737.35 P ATOM 5445 O1P A 0 297 213.001 -20.506 120.371 1.00737.35 O ATOM 5446 O2P A 0 297 211.856 -20.084 118.114 1.00737.35 O ATOM 5447 O5* A 0 297 213.620 -21.833 118.347 1.00737.35 O ATOM 5448 C5* A 0 297 214.535 -22.646 119.080 1.00737.35 C ATOM 5449 C4* A 0 297 215.553 -23.264 118.149 1.00737.35 C ATOM 5450 O4* A 0 297 214.887 -24.177 117.241 1.00737.35 O ATOM 5451 C3* A 0 297 216.292 -22.294 117.238 1.00737.35 C ATOM 5452 O3* A 0 297 217.403 -21.704 117.908 1.00737.35 O ATOM 5453 C2* A 0 297 216.726 -23.200 116.091 1.00737.35 C ATOM 5454 O2* A 0 297 217.886 -23.950 116.385 1.00737.35 O ATOM 5455 C1* A 0 297 215.520 -24.133 115.970 1.00737.35 C ATOM 5456 N9 A 0 297 214.537 -23.691 114.979 1.00737.35 N ATOM 5457 C8 A 0 297 213.473 -22.840 115.164 1.00737.35 C ATOM 5458 N7 A 0 297 212.769 -22.630 114.077 1.00737.35 N ATOM 5459 C5 A 0 297 213.411 -23.392 113.112 1.00737.35 C ATOM 5460 C6 A 0 297 213.154 -23.596 111.746 1.00737.35 C ATOM 5461 N6 A 0 297 212.142 -23.023 111.090 1.00737.35 N ATOM 5462 N1 A 0 297 213.984 -24.415 111.066 1.00737.35 N ATOM 5463 C2 A 0 297 215.000 -24.987 111.723 1.00737.35 C ATOM 5464 N3 A 0 297 215.347 -24.873 113.005 1.00737.35 N ATOM 5465 C4 A 0 297 214.500 -24.052 113.652 1.00737.35 C ATOM 5466 P C 0 298 217.865 -20.209 117.523 1.00737.35 P ATOM 5467 O1P C 0 298 218.844 -19.778 118.555 1.00737.35 O ATOM 5468 O2P C 0 298 216.654 -19.388 117.273 1.00737.35 O ATOM 5469 O5* C 0 298 218.639 -20.388 116.142 1.00737.35 O ATOM 5470 C5* C 0 298 219.925 -21.004 116.096 1.00737.35 C ATOM 5471 C4* C 0 298 220.352 -21.234 114.662 1.00737.35 C ATOM 5472 O4* C 0 298 219.418 -22.147 114.028 1.00737.35 O ATOM 5473 C3* C 0 298 220.347 -20.009 113.760 1.00737.35 C ATOM 5474 O3* C 0 298 221.554 -19.263 113.893 1.00737.35 O ATOM 5475 C2* C 0 298 220.214 -20.633 112.376 1.00737.35 C ATOM 5476 O2* C 0 298 221.436 -21.133 111.871 1.00737.35 O ATOM 5477 C1* C 0 298 219.258 -21.794 112.660 1.00737.35 C ATOM 5478 N1 C 0 298 217.841 -21.447 112.424 1.00737.35 N ATOM 5479 C2 C 0 298 217.297 -21.649 111.145 1.00737.35 C ATOM 5480 O2 C 0 298 218.016 -22.127 110.250 1.00737.35 O ATOM 5481 N3 C 0 298 216.005 -21.320 110.919 1.00737.35 N ATOM 5482 C4 C 0 298 215.262 -20.812 111.904 1.00737.35 C ATOM 5483 N4 C 0 298 213.993 -20.498 111.630 1.00737.35 N ATOM 5484 C5 C 0 298 215.785 -20.600 113.211 1.00737.35 C ATOM 5485 C6 C 0 298 217.065 -20.929 113.426 1.00737.35 C ATOM 5486 P C 0 299 221.561 -17.692 113.544 1.00737.35 P ATOM 5487 O1P C 0 299 222.919 -17.178 113.859 1.00737.35 O ATOM 5488 O2P C 0 299 220.376 -17.063 114.181 1.00737.35 O ATOM 5489 O5* C 0 299 221.364 -17.645 111.964 1.00737.35 O ATOM 5490 C5* C 0 299 222.351 -18.180 111.087 1.00737.35 C ATOM 5491 C4* C 0 299 221.895 -18.078 109.648 1.00737.35 C ATOM 5492 O4* C 0 299 220.692 -18.867 109.463 1.00737.35 O ATOM 5493 C3* C 0 299 221.506 -16.691 109.162 1.00737.35 C ATOM 5494 O3* C 0 299 222.652 -15.951 108.748 1.00737.35 O ATOM 5495 C2* C 0 299 220.603 -17.006 107.975 1.00737.35 C ATOM 5496 O2* C 0 299 221.323 -17.299 106.795 1.00737.35 O ATOM 5497 C1* C 0 299 219.884 -18.269 108.459 1.00737.35 C ATOM 5498 N1 C 0 299 218.529 -18.025 109.001 1.00737.35 N ATOM 5499 C2 C 0 299 217.480 -17.758 108.103 1.00737.35 C ATOM 5500 O2 C 0 299 217.719 -17.717 106.882 1.00737.35 O ATOM 5501 N3 C 0 299 216.235 -17.550 108.587 1.00737.35 N ATOM 5502 C4 C 0 299 216.011 -17.591 109.901 1.00737.35 C ATOM 5503 N4 C 0 299 214.763 -17.382 110.327 1.00737.35 N ATOM 5504 C5 C 0 299 217.056 -17.851 110.837 1.00737.35 C ATOM 5505 C6 C 0 299 218.288 -18.060 110.349 1.00737.35 C ATOM 5506 P C 0 300 222.647 -14.344 108.854 1.00737.35 P ATOM 5507 O1P C 0 300 223.379 -13.981 110.095 1.00737.35 O ATOM 5508 O2P C 0 300 221.260 -13.852 108.651 1.00737.35 O ATOM 5509 O5* C 0 300 223.520 -13.878 107.605 1.00737.35 O ATOM 5510 C5* C 0 300 224.898 -14.226 107.497 1.00737.35 C ATOM 5511 C4* C 0 300 225.272 -14.458 106.050 1.00737.35 C ATOM 5512 O4* C 0 300 224.501 -15.577 105.535 1.00737.35 O ATOM 5513 C3* C 0 300 224.959 -13.317 105.091 1.00737.35 C ATOM 5514 O3* C 0 300 226.006 -12.350 105.082 1.00737.35 O ATOM 5515 C2* C 0 300 224.855 -14.040 103.754 1.00737.35 C ATOM 5516 O2* C 0 300 226.113 -14.305 103.165 1.00737.35 O ATOM 5517 C1* C 0 300 224.189 -15.356 104.169 1.00737.35 C ATOM 5518 N1 C 0 300 222.720 -15.347 104.011 1.00737.35 N ATOM 5519 C2 C 0 300 222.161 -15.800 102.805 1.00737.35 C ATOM 5520 O2 C 0 300 222.917 -16.202 101.902 1.00737.35 O ATOM 5521 N3 C 0 300 220.818 -15.789 102.652 1.00737.35 N ATOM 5522 C4 C 0 300 220.036 -15.350 103.644 1.00737.35 C ATOM 5523 N4 C 0 300 218.717 -15.357 103.449 1.00737.35 N ATOM 5524 C5 C 0 300 220.575 -14.882 104.877 1.00737.35 C ATOM 5525 C6 C 0 300 221.907 -14.897 105.018 1.00737.35 C ATOM 5526 P C 0 301 225.643 -10.783 105.087 1.00737.35 P ATOM 5527 O1P C 0 301 226.882 -10.040 104.737 1.00737.35 O ATOM 5528 O2P C 0 301 224.940 -10.471 106.358 1.00737.35 O ATOM 5529 O5* C 0 301 224.605 -10.610 103.889 1.00737.35 O ATOM 5530 C5* C 0 301 224.977 -10.898 102.543 1.00737.35 C ATOM 5531 C4* C 0 301 223.751 -10.949 101.659 1.00737.35 C ATOM 5532 O4* C 0 301 222.872 -12.007 102.123 1.00737.35 O ATOM 5533 C3* C 0 301 222.882 -9.701 101.669 1.00737.35 C ATOM 5534 O3* C 0 301 223.362 -8.739 100.735 1.00737.35 O ATOM 5535 C2* C 0 301 221.519 -10.250 101.263 1.00737.35 C ATOM 5536 O2* C 0 301 221.384 -10.429 99.866 1.00737.35 O ATOM 5537 C1* C 0 301 221.519 -11.615 101.959 1.00737.35 C ATOM 5538 N1 C 0 301 220.863 -11.608 103.284 1.00737.35 N ATOM 5539 C2 C 0 301 219.476 -11.828 103.356 1.00737.35 C ATOM 5540 O2 C 0 301 218.837 -12.018 102.309 1.00737.35 O ATOM 5541 N3 C 0 301 218.870 -11.823 104.566 1.00737.35 N ATOM 5542 C4 C 0 301 219.588 -11.613 105.673 1.00737.35 C ATOM 5543 N4 C 0 301 218.946 -11.621 106.844 1.00737.35 N ATOM 5544 C5 C 0 301 220.994 -11.387 105.628 1.00737.35 C ATOM 5545 C6 C 0 301 221.585 -11.392 104.427 1.00737.35 C ATOM 5546 P U 0 302 223.358 -7.179 101.122 1.00737.35 P ATOM 5547 O1P U 0 302 223.938 -6.440 99.972 1.00737.35 O ATOM 5548 O2P U 0 302 223.964 -7.029 102.470 1.00737.35 O ATOM 5549 O5* U 0 302 221.812 -6.804 101.216 1.00737.35 O ATOM 5550 C5* U 0 302 221.372 -5.698 101.999 1.00737.35 C ATOM 5551 C4* U 0 302 219.931 -5.365 101.683 1.00737.35 C ATOM 5552 O4* U 0 302 219.114 -6.558 101.809 1.00737.35 O ATOM 5553 C3* U 0 302 219.293 -4.353 102.622 1.00737.35 C ATOM 5554 O3* U 0 302 219.561 -3.023 102.188 1.00737.35 O ATOM 5555 C2* U 0 302 217.811 -4.700 102.522 1.00737.35 C ATOM 5556 O2* U 0 302 217.186 -4.137 101.386 1.00737.35 O ATOM 5557 C1* U 0 302 217.861 -6.222 102.385 1.00737.35 C ATOM 5558 N1 U 0 302 217.713 -6.965 103.649 1.00737.35 N ATOM 5559 C2 U 0 302 216.460 -6.995 104.251 1.00737.35 C ATOM 5560 O2 U 0 302 215.486 -6.415 103.799 1.00737.35 O ATOM 5561 N3 U 0 302 216.391 -7.734 105.409 1.00737.35 N ATOM 5562 C4 U 0 302 217.422 -8.433 106.012 1.00737.35 C ATOM 5563 O4 U 0 302 217.183 -9.130 106.996 1.00737.35 O ATOM 5564 C5 U 0 302 218.680 -8.333 105.344 1.00737.35 C ATOM 5565 C6 U 0 302 218.782 -7.624 104.218 1.00737.35 C ATOM 5566 P C 0 303 219.662 -1.836 103.267 1.00737.35 P ATOM 5567 O1P C 0 303 219.960 -0.585 102.522 1.00737.35 O ATOM 5568 O2P C 0 303 220.568 -2.268 104.362 1.00737.35 O ATOM 5569 O5* C 0 303 218.186 -1.725 103.857 1.00737.35 O ATOM 5570 C5* C 0 303 217.092 -1.317 103.036 1.00737.35 C ATOM 5571 C4* C 0 303 215.846 -1.139 103.872 1.00737.35 C ATOM 5572 O4* C 0 303 215.468 -2.421 104.444 1.00737.35 O ATOM 5573 C3* C 0 303 215.996 -0.214 105.070 1.00737.35 C ATOM 5574 O3* C 0 303 215.782 1.144 104.692 1.00737.35 O ATOM 5575 C2* C 0 303 214.914 -0.723 106.015 1.00737.35 C ATOM 5576 O2* C 0 303 213.625 -0.236 105.700 1.00737.35 O ATOM 5577 C1* C 0 303 214.975 -2.231 105.762 1.00737.35 C ATOM 5578 N1 C 0 303 215.847 -2.971 106.703 1.00737.35 N ATOM 5579 C2 C 0 303 215.366 -3.261 107.991 1.00737.35 C ATOM 5580 O2 C 0 303 214.228 -2.877 108.320 1.00737.35 O ATOM 5581 N3 C 0 303 216.156 -3.949 108.847 1.00737.35 N ATOM 5582 C4 C 0 303 217.374 -4.340 108.469 1.00737.35 C ATOM 5583 N4 C 0 303 218.112 -5.020 109.349 1.00737.35 N ATOM 5584 C5 C 0 303 217.889 -4.052 107.171 1.00737.35 C ATOM 5585 C6 C 0 303 217.101 -3.372 106.330 1.00737.35 C ATOM 5586 P A 0 304 216.572 2.317 105.453 1.00737.35 P ATOM 5587 O1P A 0 304 216.081 3.608 104.904 1.00737.35 O ATOM 5588 O2P A 0 304 218.025 2.008 105.409 1.00737.35 O ATOM 5589 O5* A 0 304 216.072 2.200 106.961 1.00737.35 O ATOM 5590 C5* A 0 304 216.786 2.827 108.022 1.00737.35 C ATOM 5591 C4* A 0 304 216.197 2.426 109.354 1.00737.35 C ATOM 5592 O4* A 0 304 216.163 0.977 109.445 1.00737.35 O ATOM 5593 C3* A 0 304 216.992 2.864 110.573 1.00737.35 C ATOM 5594 O3* A 0 304 216.659 4.200 110.949 1.00737.35 O ATOM 5595 C2* A 0 304 216.555 1.846 111.622 1.00737.35 C ATOM 5596 O2* A 0 304 215.305 2.153 112.208 1.00737.35 O ATOM 5597 C1* A 0 304 216.437 0.576 110.778 1.00737.35 C ATOM 5598 N9 A 0 304 217.655 -0.238 110.772 1.00737.35 N ATOM 5599 C8 A 0 304 218.776 -0.076 109.994 1.00737.35 C ATOM 5600 N7 A 0 304 219.710 -0.968 110.221 1.00737.35 N ATOM 5601 C5 A 0 304 219.170 -1.770 111.215 1.00737.35 C ATOM 5602 C6 A 0 304 219.665 -2.898 111.893 1.00737.35 C ATOM 5603 N6 A 0 304 220.868 -3.432 111.662 1.00737.35 N ATOM 5604 N1 A 0 304 218.876 -3.465 112.830 1.00737.35 N ATOM 5605 C2 A 0 304 217.671 -2.930 113.063 1.00737.35 C ATOM 5606 N3 A 0 304 217.095 -1.874 112.492 1.00737.35 N ATOM 5607 C4 A 0 304 217.905 -1.332 111.565 1.00737.35 C ATOM 5608 P A 0 305 217.830 5.285 111.168 1.00737.35 P ATOM 5609 O1P A 0 305 217.216 6.624 110.994 1.00737.35 O ATOM 5610 O2P A 0 305 219.003 4.904 110.340 1.00737.35 O ATOM 5611 O5* A 0 305 218.238 5.135 112.703 1.00737.35 O ATOM 5612 C5* A 0 305 218.455 3.853 113.288 1.00737.35 C ATOM 5613 C4* A 0 305 219.355 3.971 114.495 1.00737.35 C ATOM 5614 O4* A 0 305 219.418 2.685 115.164 1.00737.35 O ATOM 5615 C3* A 0 305 220.804 4.322 114.198 1.00737.35 C ATOM 5616 O3* A 0 305 220.976 5.731 114.088 1.00737.35 O ATOM 5617 C2* A 0 305 221.528 3.754 115.415 1.00737.35 C ATOM 5618 O2* A 0 305 221.464 4.600 116.545 1.00737.35 O ATOM 5619 C1* A 0 305 220.724 2.478 115.677 1.00737.35 C ATOM 5620 N9 A 0 305 221.286 1.285 115.040 1.00737.35 N ATOM 5621 C8 A 0 305 221.136 0.875 113.737 1.00737.35 C ATOM 5622 N7 A 0 305 221.765 -0.240 113.459 1.00737.35 N ATOM 5623 C5 A 0 305 222.370 -0.588 114.657 1.00737.35 C ATOM 5624 C6 A 0 305 223.183 -1.676 115.025 1.00737.35 C ATOM 5625 N6 A 0 305 223.541 -2.650 114.185 1.00737.35 N ATOM 5626 N1 A 0 305 223.622 -1.727 116.303 1.00737.35 N ATOM 5627 C2 A 0 305 223.262 -0.752 117.143 1.00737.35 C ATOM 5628 N3 A 0 305 222.503 0.319 116.918 1.00737.35 N ATOM 5629 C4 A 0 305 222.084 0.341 115.641 1.00737.35 C ATOM 5630 P G 0 306 222.011 6.332 113.009 1.00737.35 P ATOM 5631 O1P G 0 306 222.002 7.809 113.166 1.00737.35 O ATOM 5632 O2P G 0 306 221.707 5.736 111.684 1.00737.35 O ATOM 5633 O5* G 0 306 223.434 5.794 113.484 1.00737.35 O ATOM 5634 C5* G 0 306 223.854 5.931 114.839 1.00737.35 C ATOM 5635 C4* G 0 306 225.018 5.011 115.126 1.00737.35 C ATOM 5636 O4* G 0 306 224.648 3.653 114.763 1.00737.35 O ATOM 5637 C3* G 0 306 226.288 5.274 114.332 1.00737.35 C ATOM 5638 O3* G 0 306 227.071 6.288 114.955 1.00737.35 O ATOM 5639 C2* G 0 306 226.979 3.915 114.376 1.00737.35 C ATOM 5640 O2* G 0 306 227.653 3.672 115.593 1.00737.35 O ATOM 5641 C1* G 0 306 225.784 2.966 114.258 1.00737.35 C ATOM 5642 N9 G 0 306 225.510 2.555 112.883 1.00737.35 N ATOM 5643 C8 G 0 306 224.696 3.183 111.970 1.00737.35 C ATOM 5644 N7 G 0 306 224.661 2.580 110.812 1.00737.35 N ATOM 5645 C5 G 0 306 225.501 1.487 110.969 1.00737.35 C ATOM 5646 C6 G 0 306 225.861 0.466 110.049 1.00737.35 C ATOM 5647 O6 G 0 306 225.502 0.322 108.874 1.00737.35 O ATOM 5648 N1 G 0 306 226.739 -0.449 110.624 1.00737.35 N ATOM 5649 C2 G 0 306 227.210 -0.392 111.912 1.00737.35 C ATOM 5650 N2 G 0 306 228.049 -1.371 112.279 1.00737.35 N ATOM 5651 N3 G 0 306 226.883 0.553 112.776 1.00737.35 N ATOM 5652 C4 G 0 306 226.030 1.454 112.241 1.00737.35 C ATOM 5653 P C 0 307 228.201 7.063 114.109 1.00737.35 P ATOM 5654 O1P C 0 307 228.657 8.210 114.936 1.00737.35 O ATOM 5655 O2P C 0 307 227.686 7.308 112.737 1.00737.35 O ATOM 5656 O5* C 0 307 229.399 6.016 114.011 1.00737.35 O ATOM 5657 C5* C 0 307 229.994 5.473 115.189 1.00737.35 C ATOM 5658 C4* C 0 307 230.844 4.273 114.846 1.00737.35 C ATOM 5659 O4* C 0 307 230.018 3.274 114.191 1.00737.35 O ATOM 5660 C3* C 0 307 231.979 4.524 113.866 1.00737.35 C ATOM 5661 O3* C 0 307 233.134 5.005 114.549 1.00737.35 O ATOM 5662 C2* C 0 307 232.206 3.139 113.271 1.00737.35 C ATOM 5663 O2* C 0 307 232.987 2.297 114.096 1.00737.35 O ATOM 5664 C1* C 0 307 230.774 2.604 113.193 1.00737.35 C ATOM 5665 N1 C 0 307 230.127 2.824 111.881 1.00737.35 N ATOM 5666 C2 C 0 307 230.300 1.862 110.869 1.00737.35 C ATOM 5667 O2 C 0 307 230.989 0.854 111.099 1.00737.35 O ATOM 5668 N3 C 0 307 229.712 2.060 109.666 1.00737.35 N ATOM 5669 C4 C 0 307 228.979 3.155 109.452 1.00737.35 C ATOM 5670 N4 C 0 307 228.418 3.306 108.249 1.00737.35 N ATOM 5671 C5 C 0 307 228.787 4.145 110.459 1.00737.35 C ATOM 5672 C6 C 0 307 229.373 3.942 111.647 1.00737.35 C ATOM 5673 P C 0 308 234.245 5.843 113.745 1.00737.35 P ATOM 5674 O1P C 0 308 235.248 6.308 114.736 1.00737.35 O ATOM 5675 O2P C 0 308 233.558 6.835 112.879 1.00737.35 O ATOM 5676 O5* C 0 308 234.938 4.757 112.804 1.00737.35 O ATOM 5677 C5* C 0 308 235.777 3.738 113.351 1.00737.35 C ATOM 5678 C4* C 0 308 236.303 2.845 112.250 1.00737.35 C ATOM 5679 O4* C 0 308 235.199 2.121 111.647 1.00737.35 O ATOM 5680 C3* C 0 308 236.969 3.567 111.090 1.00737.35 C ATOM 5681 O3* C 0 308 238.339 3.833 111.373 1.00737.35 O ATOM 5682 C2* C 0 308 236.809 2.567 109.951 1.00737.35 C ATOM 5683 O2* C 0 308 237.783 1.541 109.971 1.00737.35 O ATOM 5684 C1* C 0 308 235.430 1.976 110.254 1.00737.35 C ATOM 5685 N1 C 0 308 234.324 2.625 109.520 1.00737.35 N ATOM 5686 C2 C 0 308 234.060 2.228 108.197 1.00737.35 C ATOM 5687 O2 C 0 308 234.769 1.353 107.671 1.00737.35 O ATOM 5688 N3 C 0 308 233.040 2.810 107.525 1.00737.35 N ATOM 5689 C4 C 0 308 232.297 3.749 108.117 1.00737.35 C ATOM 5690 N4 C 0 308 231.297 4.289 107.419 1.00737.35 N ATOM 5691 C5 C 0 308 232.548 4.173 109.455 1.00737.35 C ATOM 5692 C6 C 0 308 233.557 3.593 110.110 1.00737.35 C ATOM 5693 P G 0 309 238.956 5.278 111.037 1.00737.35 P ATOM 5694 O1P G 0 309 240.432 5.171 111.167 1.00737.35 O ATOM 5695 O2P G 0 309 238.223 6.297 111.834 1.00737.35 O ATOM 5696 O5* G 0 309 238.606 5.500 109.498 1.00737.35 O ATOM 5697 C5* G 0 309 239.140 4.646 108.492 1.00737.35 C ATOM 5698 C4* G 0 309 238.486 4.930 107.159 1.00737.35 C ATOM 5699 O4* G 0 309 237.071 4.614 107.239 1.00737.35 O ATOM 5700 C3* G 0 309 238.518 6.383 106.712 1.00737.35 C ATOM 5701 O3* G 0 309 239.745 6.696 106.063 1.00737.35 O ATOM 5702 C2* G 0 309 237.336 6.450 105.750 1.00737.35 C ATOM 5703 O2* G 0 309 237.642 5.949 104.461 1.00737.35 O ATOM 5704 C1* G 0 309 236.332 5.526 106.441 1.00737.35 C ATOM 5705 N9 G 0 309 235.388 6.238 107.300 1.00737.35 N ATOM 5706 C8 G 0 309 235.611 6.705 108.573 1.00737.35 C ATOM 5707 N7 G 0 309 234.574 7.309 109.088 1.00737.35 N ATOM 5708 C5 G 0 309 233.606 7.235 108.095 1.00737.35 C ATOM 5709 C6 G 0 309 232.273 7.719 108.075 1.00737.35 C ATOM 5710 O6 G 0 309 231.659 8.327 108.957 1.00737.35 O ATOM 5711 N1 G 0 309 231.641 7.428 106.870 1.00737.35 N ATOM 5712 C2 G 0 309 232.218 6.758 105.818 1.00737.35 C ATOM 5713 N2 G 0 309 231.442 6.570 104.740 1.00737.35 N ATOM 5714 N3 G 0 309 233.461 6.306 105.821 1.00737.35 N ATOM 5715 C4 G 0 309 234.092 6.577 106.984 1.00737.35 C ATOM 5716 P A 0 310 240.585 7.985 106.530 1.00737.35 P ATOM 5717 O1P A 0 310 241.336 7.608 107.753 1.00737.35 O ATOM 5718 O2P A 0 310 239.672 9.156 106.562 1.00737.35 O ATOM 5719 O5* A 0 310 241.632 8.207 105.350 1.00737.35 O ATOM 5720 C5* A 0 310 242.574 7.195 105.001 1.00737.35 C ATOM 5721 C4* A 0 310 243.235 7.533 103.686 1.00737.35 C ATOM 5722 O4* A 0 310 242.232 7.532 102.635 1.00737.35 O ATOM 5723 C3* A 0 310 243.862 8.918 103.616 1.00737.35 C ATOM 5724 O3* A 0 310 245.186 8.899 104.136 1.00737.35 O ATOM 5725 C2* A 0 310 243.829 9.217 102.120 1.00737.35 C ATOM 5726 O2* A 0 310 244.890 8.608 101.411 1.00737.35 O ATOM 5727 C1* A 0 310 242.501 8.574 101.713 1.00737.35 C ATOM 5728 N9 A 0 310 241.362 9.498 101.727 1.00737.35 N ATOM 5729 C8 A 0 310 240.679 9.976 102.820 1.00737.35 C ATOM 5730 N7 A 0 310 239.691 10.785 102.513 1.00737.35 N ATOM 5731 C5 A 0 310 239.729 10.846 101.127 1.00737.35 C ATOM 5732 C6 A 0 310 238.941 11.534 100.187 1.00737.35 C ATOM 5733 N6 A 0 310 237.916 12.323 100.518 1.00737.35 N ATOM 5734 N1 A 0 310 239.240 11.379 98.879 1.00737.35 N ATOM 5735 C2 A 0 310 240.266 10.585 98.548 1.00737.35 C ATOM 5736 N3 A 0 310 241.079 9.885 99.337 1.00737.35 N ATOM 5737 C4 A 0 310 240.754 10.060 100.630 1.00737.35 C ATOM 5738 P A 0 311 245.704 10.117 105.047 1.00737.35 P ATOM 5739 O1P A 0 311 247.087 9.787 105.482 1.00737.35 O ATOM 5740 O2P A 0 311 244.668 10.417 106.067 1.00737.35 O ATOM 5741 O5* A 0 311 245.778 11.347 104.037 1.00737.35 O ATOM 5742 C5* A 0 311 246.772 11.397 103.014 1.00737.35 C ATOM 5743 C4* A 0 311 246.536 12.584 102.109 1.00737.35 C ATOM 5744 O4* A 0 311 245.276 12.412 101.408 1.00737.35 O ATOM 5745 C3* A 0 311 246.395 13.928 102.805 1.00737.35 C ATOM 5746 O3* A 0 311 247.673 14.497 103.080 1.00737.35 O ATOM 5747 C2* A 0 311 245.606 14.736 101.782 1.00737.35 C ATOM 5748 O2* A 0 311 246.410 15.248 100.734 1.00737.35 O ATOM 5749 C1* A 0 311 244.651 13.673 101.232 1.00737.35 C ATOM 5750 N9 A 0 311 243.357 13.645 101.917 1.00737.35 N ATOM 5751 C8 A 0 311 243.081 13.193 103.186 1.00737.35 C ATOM 5752 N7 A 0 311 241.819 13.304 103.524 1.00737.35 N ATOM 5753 C5 A 0 311 241.223 13.868 102.405 1.00737.35 C ATOM 5754 C6 A 0 311 239.897 14.241 102.126 1.00737.35 C ATOM 5755 N6 A 0 311 238.890 14.094 102.991 1.00737.35 N ATOM 5756 N1 A 0 311 239.635 14.775 100.916 1.00737.35 N ATOM 5757 C2 A 0 311 240.645 14.921 100.048 1.00737.35 C ATOM 5758 N3 A 0 311 241.931 14.612 100.194 1.00737.35 N ATOM 5759 C4 A 0 311 242.158 14.084 101.408 1.00737.35 C ATOM 5760 P G 0 312 247.827 15.578 104.262 1.00737.35 P ATOM 5761 O1P G 0 312 249.255 15.578 104.669 1.00737.35 O ATOM 5762 O2P G 0 312 246.774 15.340 105.282 1.00737.35 O ATOM 5763 O5* G 0 312 247.521 16.969 103.544 1.00737.35 O ATOM 5764 C5* G 0 312 247.591 18.199 104.262 1.00737.35 C ATOM 5765 C4* G 0 312 248.954 18.825 104.084 1.00737.35 C ATOM 5766 O4* G 0 312 249.272 18.894 102.670 1.00737.35 O ATOM 5767 C3* G 0 312 249.105 20.257 104.571 1.00737.35 C ATOM 5768 O3* G 0 312 249.359 20.309 105.972 1.00737.35 O ATOM 5769 C2* G 0 312 250.296 20.747 103.759 1.00737.35 C ATOM 5770 O2* G 0 312 251.540 20.346 104.295 1.00737.35 O ATOM 5771 C1* G 0 312 250.061 20.045 102.418 1.00737.35 C ATOM 5772 N9 G 0 312 249.368 20.875 101.435 1.00737.35 N ATOM 5773 C8 G 0 312 248.048 21.258 101.446 1.00737.35 C ATOM 5774 N7 G 0 312 247.725 22.011 100.429 1.00737.35 N ATOM 5775 C5 G 0 312 248.903 22.134 99.704 1.00737.35 C ATOM 5776 C6 G 0 312 249.172 22.833 98.498 1.00737.35 C ATOM 5777 O6 G 0 312 248.399 23.509 97.807 1.00737.35 O ATOM 5778 N1 G 0 312 250.501 22.686 98.109 1.00737.35 N ATOM 5779 C2 G 0 312 251.447 21.963 98.791 1.00737.35 C ATOM 5780 N2 G 0 312 252.677 21.937 98.254 1.00737.35 N ATOM 5781 N3 G 0 312 251.210 21.310 99.916 1.00737.35 N ATOM 5782 C4 G 0 312 249.926 21.437 100.310 1.00737.35 C ATOM 5783 P U 0 313 249.168 21.695 106.766 1.00737.35 P ATOM 5784 O1P U 0 313 249.534 21.445 108.184 1.00737.35 O ATOM 5785 O2P U 0 313 247.824 22.242 106.441 1.00737.35 O ATOM 5786 O5* U 0 313 250.274 22.649 106.129 1.00737.35 O ATOM 5787 C5* U 0 313 250.181 24.067 106.245 1.00737.35 C ATOM 5788 C4* U 0 313 251.423 24.716 105.682 1.00737.35 C ATOM 5789 O4* U 0 313 251.620 24.276 104.310 1.00737.35 O ATOM 5790 C3* U 0 313 251.392 26.232 105.590 1.00737.35 C ATOM 5791 O3* U 0 313 251.755 26.827 106.831 1.00737.35 O ATOM 5792 C2* U 0 313 252.417 26.510 104.497 1.00737.35 C ATOM 5793 O2* U 0 313 253.752 26.478 104.964 1.00737.35 O ATOM 5794 C1* U 0 313 252.175 25.335 103.545 1.00737.35 C ATOM 5795 N1 U 0 313 251.257 25.651 102.438 1.00737.35 N ATOM 5796 C2 U 0 313 251.797 26.189 101.277 1.00737.35 C ATOM 5797 O2 U 0 313 252.991 26.408 101.134 1.00737.35 O ATOM 5798 N3 U 0 313 250.886 26.460 100.284 1.00737.35 N ATOM 5799 C4 U 0 313 249.523 26.256 100.330 1.00737.35 C ATOM 5800 O4 U 0 313 248.835 26.549 99.350 1.00737.35 O ATOM 5801 C5 U 0 313 249.042 25.699 101.555 1.00737.35 C ATOM 5802 C6 U 0 313 249.900 25.425 102.541 1.00737.35 C ATOM 5803 P G 0 314 251.280 28.326 107.170 1.00737.35 P ATOM 5804 O1P G 0 314 251.677 28.608 108.573 1.00737.35 O ATOM 5805 O2P G 0 314 249.856 28.472 106.769 1.00737.35 O ATOM 5806 O5* G 0 314 252.164 29.236 106.208 1.00737.35 O ATOM 5807 C5* G 0 314 253.580 29.308 106.365 1.00737.35 C ATOM 5808 C4* G 0 314 254.205 30.027 105.191 1.00737.35 C ATOM 5809 O4* G 0 314 253.957 29.271 103.975 1.00737.35 O ATOM 5810 C3* G 0 314 253.655 31.412 104.890 1.00737.35 C ATOM 5811 O3* G 0 314 254.280 32.402 105.702 1.00737.35 O ATOM 5812 C2* G 0 314 253.996 31.583 103.415 1.00737.35 C ATOM 5813 O2* G 0 314 255.341 31.966 103.196 1.00737.35 O ATOM 5814 C1* G 0 314 253.770 30.164 102.889 1.00737.35 C ATOM 5815 N9 G 0 314 252.429 29.957 102.344 1.00737.35 N ATOM 5816 C8 G 0 314 251.340 29.421 102.991 1.00737.35 C ATOM 5817 N7 G 0 314 250.272 29.368 102.243 1.00737.35 N ATOM 5818 C5 G 0 314 250.679 29.899 101.027 1.00737.35 C ATOM 5819 C6 G 0 314 249.952 30.101 99.824 1.00737.35 C ATOM 5820 O6 G 0 314 248.768 29.839 99.585 1.00737.35 O ATOM 5821 N1 G 0 314 250.749 30.670 98.836 1.00737.35 N ATOM 5822 C2 G 0 314 252.072 31.000 98.983 1.00737.35 C ATOM 5823 N2 G 0 314 252.670 31.541 97.908 1.00737.35 N ATOM 5824 N3 G 0 314 252.762 30.820 100.097 1.00737.35 N ATOM 5825 C4 G 0 314 252.008 30.269 101.071 1.00737.35 C ATOM 5826 P G 0 315 253.517 33.785 106.003 1.00737.35 P ATOM 5827 O1P G 0 315 254.361 34.555 106.955 1.00737.35 O ATOM 5828 O2P G 0 315 252.106 33.482 106.356 1.00737.35 O ATOM 5829 O5* G 0 315 253.526 34.541 104.599 1.00737.35 O ATOM 5830 C5* G 0 315 254.741 35.055 104.053 1.00737.35 C ATOM 5831 C4* G 0 315 254.483 35.700 102.709 1.00737.35 C ATOM 5832 O4* G 0 315 254.049 34.690 101.760 1.00737.35 O ATOM 5833 C3* G 0 315 253.382 36.748 102.673 1.00737.35 C ATOM 5834 O3* G 0 315 253.877 38.018 103.087 1.00737.35 O ATOM 5835 C2* G 0 315 252.977 36.741 101.203 1.00737.35 C ATOM 5836 O2* G 0 315 253.838 37.510 100.388 1.00737.35 O ATOM 5837 C1* G 0 315 253.119 35.258 100.851 1.00737.35 C ATOM 5838 N9 G 0 315 251.868 34.509 100.933 1.00737.35 N ATOM 5839 C8 G 0 315 251.441 33.708 101.967 1.00737.35 C ATOM 5840 N7 G 0 315 250.276 33.162 101.747 1.00737.35 N ATOM 5841 C5 G 0 315 249.908 33.630 100.492 1.00737.35 C ATOM 5842 C6 G 0 315 248.741 33.379 99.722 1.00737.35 C ATOM 5843 O6 G 0 315 247.769 32.665 100.006 1.00737.35 O ATOM 5844 N1 G 0 315 248.774 34.057 98.510 1.00737.35 N ATOM 5845 C2 G 0 315 249.793 34.873 98.088 1.00737.35 C ATOM 5846 N2 G 0 315 249.637 35.442 96.882 1.00737.35 N ATOM 5847 N3 G 0 315 250.887 35.113 98.792 1.00737.35 N ATOM 5848 C4 G 0 315 250.878 34.464 99.976 1.00737.35 C ATOM 5849 P C 0 316 252.863 39.111 103.694 1.00737.35 P ATOM 5850 O1P C 0 316 253.686 40.241 104.198 1.00737.35 O ATOM 5851 O2P C 0 316 251.921 38.424 104.615 1.00737.35 O ATOM 5852 O5* C 0 316 252.040 39.617 102.428 1.00737.35 O ATOM 5853 C5* C 0 316 252.674 40.375 101.397 1.00737.35 C ATOM 5854 C4* C 0 316 251.709 40.630 100.262 1.00737.35 C ATOM 5855 O4* C 0 316 251.335 39.365 99.653 1.00737.35 O ATOM 5856 C3* C 0 316 250.385 41.268 100.653 1.00737.35 C ATOM 5857 O3* C 0 316 250.506 42.685 100.733 1.00737.35 O ATOM 5858 C2* C 0 316 249.467 40.832 99.517 1.00737.35 C ATOM 5859 O2* C 0 316 249.604 41.629 98.356 1.00737.35 O ATOM 5860 C1* C 0 316 249.978 39.416 99.237 1.00737.35 C ATOM 5861 N1 C 0 316 249.226 38.360 99.947 1.00737.35 N ATOM 5862 C2 C 0 316 248.088 37.810 99.336 1.00737.35 C ATOM 5863 O2 C 0 316 247.737 38.224 98.217 1.00737.35 O ATOM 5864 N3 C 0 316 247.397 36.840 99.980 1.00737.35 N ATOM 5865 C4 C 0 316 247.797 36.420 101.181 1.00737.35 C ATOM 5866 N4 C 0 316 247.084 35.461 101.777 1.00737.35 N ATOM 5867 C5 C 0 316 248.948 36.960 101.826 1.00737.35 C ATOM 5868 C6 C 0 316 249.626 37.919 101.179 1.00737.35 C ATOM 5869 P U 0 317 249.585 43.509 101.763 1.00737.35 P ATOM 5870 O1P U 0 317 250.196 44.858 101.913 1.00737.35 O ATOM 5871 O2P U 0 317 249.350 42.675 102.969 1.00737.35 O ATOM 5872 O5* U 0 317 248.197 43.670 100.995 1.00737.35 O ATOM 5873 C5* U 0 317 248.037 44.641 99.961 1.00737.35 C ATOM 5874 C4* U 0 317 246.655 44.540 99.353 1.00737.35 C ATOM 5875 O4* U 0 317 246.510 43.247 98.705 1.00737.35 O ATOM 5876 C3* U 0 317 245.496 44.596 100.335 1.00737.35 C ATOM 5877 O3* U 0 317 245.140 45.937 100.663 1.00737.35 O ATOM 5878 C2* U 0 317 244.389 43.891 99.561 1.00737.35 C ATOM 5879 O2* U 0 317 243.754 44.726 98.613 1.00737.35 O ATOM 5880 C1* U 0 317 245.173 42.792 98.844 1.00737.35 C ATOM 5881 N1 U 0 317 245.182 41.512 99.575 1.00737.35 N ATOM 5882 C2 U 0 317 244.173 40.599 99.296 1.00737.35 C ATOM 5883 O2 U 0 317 243.294 40.805 98.473 1.00737.35 O ATOM 5884 N3 U 0 317 244.234 39.433 100.016 1.00737.35 N ATOM 5885 C4 U 0 317 245.172 39.087 100.968 1.00737.35 C ATOM 5886 O4 U 0 317 245.084 37.999 101.538 1.00737.35 O ATOM 5887 C5 U 0 317 246.179 40.076 101.198 1.00737.35 C ATOM 5888 C6 U 0 317 246.151 41.224 100.512 1.00737.35 C ATOM 5889 P G 0 318 244.991 46.373 102.210 1.00737.35 P ATOM 5890 O1P G 0 318 244.583 47.800 102.221 1.00737.35 O ATOM 5891 O2P G 0 318 246.220 45.956 102.935 1.00737.35 O ATOM 5892 O5* G 0 318 243.766 45.512 102.761 1.00737.35 O ATOM 5893 C5* G 0 318 243.828 44.088 102.796 1.00737.35 C ATOM 5894 C4* G 0 318 242.516 43.509 103.271 1.00737.35 C ATOM 5895 O4* G 0 318 242.513 42.085 102.999 1.00737.35 O ATOM 5896 C3* G 0 318 242.244 43.624 104.763 1.00737.35 C ATOM 5897 O3* G 0 318 241.632 44.868 105.086 1.00737.35 O ATOM 5898 C2* G 0 318 241.311 42.447 105.014 1.00737.35 C ATOM 5899 O2* G 0 318 239.969 42.717 104.651 1.00737.35 O ATOM 5900 C1* G 0 318 241.892 41.392 104.069 1.00737.35 C ATOM 5901 N9 G 0 318 242.894 40.527 104.686 1.00737.35 N ATOM 5902 C8 G 0 318 244.148 40.888 105.125 1.00737.35 C ATOM 5903 N7 G 0 318 244.821 39.888 105.626 1.00737.35 N ATOM 5904 C5 G 0 318 243.962 38.804 105.515 1.00737.35 C ATOM 5905 C6 G 0 318 244.140 37.449 105.889 1.00737.35 C ATOM 5906 O6 G 0 318 245.127 36.917 106.411 1.00737.35 O ATOM 5907 N1 G 0 318 243.016 36.686 105.597 1.00737.35 N ATOM 5908 C2 G 0 318 241.865 37.162 105.021 1.00737.35 C ATOM 5909 N2 G 0 318 240.887 36.269 104.822 1.00737.35 N ATOM 5910 N3 G 0 318 241.686 38.423 104.666 1.00737.35 N ATOM 5911 C4 G 0 318 242.766 39.184 104.939 1.00737.35 C ATOM 5912 P G 0 319 241.951 45.572 106.497 1.00737.35 P ATOM 5913 O1P G 0 319 241.132 46.809 106.567 1.00737.35 O ATOM 5914 O2P G 0 319 243.427 45.660 106.655 1.00737.35 O ATOM 5915 O5* G 0 319 241.389 44.550 107.582 1.00737.35 O ATOM 5916 C5* G 0 319 241.641 44.749 108.972 1.00737.35 C ATOM 5917 C4* G 0 319 240.763 43.838 109.806 1.00737.35 C ATOM 5918 O4* G 0 319 239.368 44.180 109.584 1.00737.35 O ATOM 5919 C3* G 0 319 240.846 42.354 109.486 1.00737.35 C ATOM 5920 O3* G 0 319 241.937 41.749 110.176 1.00737.35 O ATOM 5921 C2* G 0 319 239.502 41.837 109.994 1.00737.35 C ATOM 5922 O2* G 0 319 239.483 41.610 111.388 1.00737.35 O ATOM 5923 C1* G 0 319 238.576 43.007 109.649 1.00737.35 C ATOM 5924 N9 G 0 319 237.876 42.851 108.374 1.00737.35 N ATOM 5925 C8 G 0 319 238.315 43.244 107.133 1.00737.35 C ATOM 5926 N7 G 0 319 237.469 42.971 106.178 1.00737.35 N ATOM 5927 C5 G 0 319 236.405 42.361 106.827 1.00737.35 C ATOM 5928 C6 G 0 319 235.188 41.844 106.309 1.00737.35 C ATOM 5929 O6 G 0 319 234.794 41.825 105.136 1.00737.35 O ATOM 5930 N1 G 0 319 234.389 41.310 107.316 1.00737.35 N ATOM 5931 C2 G 0 319 234.719 41.276 108.648 1.00737.35 C ATOM 5932 N2 G 0 319 233.813 40.718 109.467 1.00737.35 N ATOM 5933 N3 G 0 319 235.848 41.752 109.144 1.00737.35 N ATOM 5934 C4 G 0 319 236.640 42.276 108.183 1.00737.35 C ATOM 5935 P A 0 320 242.687 40.480 109.534 1.00737.35 P ATOM 5936 O1P A 0 320 243.852 40.175 110.402 1.00737.35 O ATOM 5937 O2P A 0 320 242.899 40.741 108.085 1.00737.35 O ATOM 5938 O5* A 0 320 241.637 39.291 109.685 1.00737.35 O ATOM 5939 C5* A 0 320 241.788 38.081 108.950 1.00737.35 C ATOM 5940 C4* A 0 320 240.580 37.192 109.145 1.00737.35 C ATOM 5941 O4* A 0 320 239.378 37.958 108.882 1.00737.35 O ATOM 5942 C3* A 0 320 240.496 35.998 108.207 1.00737.35 C ATOM 5943 O3* A 0 320 241.206 34.889 108.749 1.00737.35 O ATOM 5944 C2* A 0 320 238.997 35.717 108.161 1.00737.35 C ATOM 5945 O2* A 0 320 238.550 34.920 109.243 1.00737.35 O ATOM 5946 C1* A 0 320 238.404 37.125 108.283 1.00737.35 C ATOM 5947 N9 A 0 320 237.994 37.732 107.014 1.00737.35 N ATOM 5948 C8 A 0 320 238.788 38.314 106.058 1.00737.35 C ATOM 5949 N7 A 0 320 238.121 38.786 105.033 1.00737.35 N ATOM 5950 C5 A 0 320 236.800 38.493 105.331 1.00737.35 C ATOM 5951 C6 A 0 320 235.597 38.736 104.643 1.00737.35 C ATOM 5952 N6 A 0 320 235.530 39.358 103.464 1.00737.35 N ATOM 5953 N1 A 0 320 234.450 38.312 105.217 1.00737.35 N ATOM 5954 C2 A 0 320 234.515 37.693 106.401 1.00737.35 C ATOM 5955 N3 A 0 320 235.582 37.408 107.145 1.00737.35 N ATOM 5956 C4 A 0 320 236.706 37.838 106.547 1.00737.35 C ATOM 5957 P A 0 321 242.254 34.078 107.836 1.00737.35 P ATOM 5958 O1P A 0 321 242.436 32.746 108.464 1.00737.35 O ATOM 5959 O2P A 0 321 243.437 34.943 107.601 1.00737.35 O ATOM 5960 O5* A 0 321 241.493 33.865 106.452 1.00737.35 O ATOM 5961 C5* A 0 321 242.109 33.161 105.377 1.00737.35 C ATOM 5962 C4* A 0 321 241.057 32.623 104.436 1.00737.35 C ATOM 5963 O4* A 0 321 240.247 33.724 103.945 1.00737.35 O ATOM 5964 C3* A 0 321 241.577 31.948 103.174 1.00737.35 C ATOM 5965 O3* A 0 321 241.913 30.586 103.424 1.00737.35 O ATOM 5966 C2* A 0 321 240.390 32.089 102.225 1.00737.35 C ATOM 5967 O2* A 0 321 239.387 31.114 102.438 1.00737.35 O ATOM 5968 C1* A 0 321 239.855 33.471 102.604 1.00737.35 C ATOM 5969 N9 A 0 321 240.373 34.547 101.758 1.00737.35 N ATOM 5970 C8 A 0 321 241.556 35.235 101.887 1.00737.35 C ATOM 5971 N7 A 0 321 241.739 36.151 100.968 1.00737.35 N ATOM 5972 C5 A 0 321 240.602 36.063 100.178 1.00737.35 C ATOM 5973 C6 A 0 321 240.186 36.767 99.035 1.00737.35 C ATOM 5974 N6 A 0 321 240.900 37.742 98.467 1.00737.35 N ATOM 5975 N1 A 0 321 238.997 36.434 98.489 1.00737.35 N ATOM 5976 C2 A 0 321 238.283 35.456 99.058 1.00737.35 C ATOM 5977 N3 A 0 321 238.565 34.722 100.132 1.00737.35 N ATOM 5978 C4 A 0 321 239.753 35.077 100.651 1.00737.35 C ATOM 5979 P A 0 322 242.599 29.702 102.266 1.00737.35 P ATOM 5980 O1P A 0 322 242.782 28.331 102.807 1.00737.35 O ATOM 5981 O2P A 0 322 243.770 30.442 101.732 1.00737.35 O ATOM 5982 O5* A 0 322 241.479 29.648 101.133 1.00737.35 O ATOM 5983 C5* A 0 322 241.518 28.679 100.089 1.00737.35 C ATOM 5984 C4* A 0 322 240.124 28.168 99.814 1.00737.35 C ATOM 5985 O4* A 0 322 239.672 27.382 100.947 1.00737.35 O ATOM 5986 C3* A 0 322 239.068 29.252 99.645 1.00737.35 C ATOM 5987 O3* A 0 322 239.013 29.710 98.297 1.00737.35 O ATOM 5988 C2* A 0 322 237.790 28.544 100.081 1.00737.35 C ATOM 5989 O2* A 0 322 237.212 27.750 99.064 1.00737.35 O ATOM 5990 C1* A 0 322 238.307 27.654 101.214 1.00737.35 C ATOM 5991 N9 A 0 322 238.211 28.246 102.553 1.00737.35 N ATOM 5992 C8 A 0 322 239.172 28.237 103.537 1.00737.35 C ATOM 5993 N7 A 0 322 238.808 28.845 104.640 1.00737.35 N ATOM 5994 C5 A 0 322 237.519 29.286 104.365 1.00737.35 C ATOM 5995 C6 A 0 322 236.584 30.002 105.132 1.00737.35 C ATOM 5996 N6 A 0 322 236.812 30.417 106.381 1.00737.35 N ATOM 5997 N1 A 0 322 235.392 30.282 104.566 1.00737.35 N ATOM 5998 C2 A 0 322 235.165 29.867 103.314 1.00737.35 C ATOM 5999 N3 A 0 322 235.960 29.186 102.494 1.00737.35 N ATOM 6000 C4 A 0 322 237.138 28.924 103.085 1.00737.35 C ATOM 6001 P G 0 323 238.278 31.098 97.953 1.00737.35 P ATOM 6002 O1P G 0 323 238.695 32.096 98.971 1.00737.35 O ATOM 6003 O2P G 0 323 236.833 30.814 97.752 1.00737.35 O ATOM 6004 O5* G 0 323 238.909 31.534 96.556 1.00737.35 O ATOM 6005 C5* G 0 323 238.183 32.361 95.649 1.00737.35 C ATOM 6006 C4* G 0 323 239.054 33.490 95.150 1.00737.35 C ATOM 6007 O4* G 0 323 239.430 34.337 96.269 1.00737.35 O ATOM 6008 C3* G 0 323 240.380 33.092 94.521 1.00737.35 C ATOM 6009 O3* G 0 323 240.216 32.743 93.148 1.00737.35 O ATOM 6010 C2* G 0 323 241.209 34.360 94.689 1.00737.35 C ATOM 6011 O2* G 0 323 240.927 35.341 93.710 1.00737.35 O ATOM 6012 C1* G 0 323 240.737 34.851 96.059 1.00737.35 C ATOM 6013 N9 G 0 323 241.591 34.413 97.161 1.00737.35 N ATOM 6014 C8 G 0 323 241.428 33.298 97.950 1.00737.35 C ATOM 6015 N7 G 0 323 242.356 33.175 98.860 1.00737.35 N ATOM 6016 C5 G 0 323 243.183 34.271 98.661 1.00737.35 C ATOM 6017 C6 G 0 323 244.358 34.672 99.348 1.00737.35 C ATOM 6018 O6 G 0 323 244.921 34.121 100.303 1.00737.35 O ATOM 6019 N1 G 0 323 244.882 35.847 98.819 1.00737.35 N ATOM 6020 C2 G 0 323 244.348 36.549 97.767 1.00737.35 C ATOM 6021 N2 G 0 323 245.005 37.660 97.403 1.00737.35 N ATOM 6022 N3 G 0 323 243.254 36.187 97.118 1.00737.35 N ATOM 6023 C4 G 0 323 242.725 35.045 97.615 1.00737.35 C ATOM 6024 P C 0 324 241.313 31.821 92.418 1.00737.35 P ATOM 6025 O1P C 0 324 240.808 31.533 91.053 1.00737.35 O ATOM 6026 O2P C 0 324 241.664 30.695 93.323 1.00737.35 O ATOM 6027 O5* C 0 324 242.588 32.769 92.289 1.00737.35 O ATOM 6028 C5* C 0 324 242.538 33.957 91.499 1.00737.35 C ATOM 6029 C4* C 0 324 243.747 34.822 91.771 1.00737.35 C ATOM 6030 O4* C 0 324 243.759 35.207 93.171 1.00737.35 O ATOM 6031 C3* C 0 324 245.100 34.164 91.554 1.00737.35 C ATOM 6032 O3* C 0 324 245.489 34.232 90.184 1.00737.35 O ATOM 6033 C2* C 0 324 246.014 35.004 92.440 1.00737.35 C ATOM 6034 O2* C 0 324 246.409 36.220 91.837 1.00737.35 O ATOM 6035 C1* C 0 324 245.099 35.289 93.634 1.00737.35 C ATOM 6036 N1 C 0 324 245.280 34.346 94.756 1.00737.35 N ATOM 6037 C2 C 0 324 246.310 34.581 95.683 1.00737.35 C ATOM 6038 O2 C 0 324 247.045 35.574 95.537 1.00737.35 O ATOM 6039 N3 C 0 324 246.479 33.721 96.714 1.00737.35 N ATOM 6040 C4 C 0 324 245.676 32.663 96.842 1.00737.35 C ATOM 6041 N4 C 0 324 245.880 31.847 97.876 1.00737.35 N ATOM 6042 C5 C 0 324 244.625 32.398 95.917 1.00737.35 C ATOM 6043 C6 C 0 324 244.464 33.255 94.900 1.00737.35 C ATOM 6044 P U 0 325 246.434 33.088 89.566 1.00737.35 P ATOM 6045 O1P U 0 325 246.754 33.484 88.170 1.00737.35 O ATOM 6046 O2P U 0 325 245.806 31.767 89.825 1.00737.35 O ATOM 6047 O5* U 0 325 247.773 33.178 90.427 1.00737.35 O ATOM 6048 C5* U 0 325 248.581 34.355 90.410 1.00737.35 C ATOM 6049 C4* U 0 325 249.621 34.295 91.504 1.00737.35 C ATOM 6050 O4* U 0 325 248.958 34.248 92.795 1.00737.35 O ATOM 6051 C3* U 0 325 250.516 33.066 91.495 1.00737.35 C ATOM 6052 O3* U 0 325 251.610 33.241 90.598 1.00737.35 O ATOM 6053 C2* U 0 325 250.970 32.985 92.947 1.00737.35 C ATOM 6054 O2* U 0 325 252.029 33.871 93.252 1.00737.35 O ATOM 6055 C1* U 0 325 249.700 33.424 93.683 1.00737.35 C ATOM 6056 N1 U 0 325 248.847 32.299 94.107 1.00737.35 N ATOM 6057 C2 U 0 325 249.084 31.736 95.352 1.00737.35 C ATOM 6058 O2 U 0 325 249.959 32.130 96.110 1.00737.35 O ATOM 6059 N3 U 0 325 248.258 30.691 95.682 1.00737.35 N ATOM 6060 C4 U 0 325 247.240 30.159 94.917 1.00737.35 C ATOM 6061 O4 U 0 325 246.584 29.213 95.355 1.00737.35 O ATOM 6062 C5 U 0 325 247.056 30.791 93.647 1.00737.35 C ATOM 6063 C6 U 0 325 247.843 31.813 93.294 1.00737.35 C ATOM 6064 P A 0 326 252.256 31.964 89.867 1.00737.35 P ATOM 6065 O1P A 0 326 253.116 32.478 88.771 1.00737.35 O ATOM 6066 O2P A 0 326 251.172 30.996 89.555 1.00737.35 O ATOM 6067 O5* A 0 326 253.189 31.313 90.987 1.00737.35 O ATOM 6068 C5* A 0 326 254.566 31.677 91.098 1.00737.35 C ATOM 6069 C4* A 0 326 255.282 30.741 92.044 1.00737.35 C ATOM 6070 O4* A 0 326 254.804 30.948 93.399 1.00737.35 O ATOM 6071 C3* A 0 326 255.072 29.255 91.797 1.00737.35 C ATOM 6072 O3* A 0 326 255.940 28.775 90.773 1.00737.35 O ATOM 6073 C2* A 0 326 255.389 28.651 93.160 1.00737.35 C ATOM 6074 O2* A 0 326 256.776 28.495 93.389 1.00737.35 O ATOM 6075 C1* A 0 326 254.826 29.718 94.104 1.00737.35 C ATOM 6076 N9 A 0 326 253.469 29.432 94.578 1.00737.35 N ATOM 6077 C8 A 0 326 252.277 29.701 93.945 1.00737.35 C ATOM 6078 N7 A 0 326 251.222 29.328 94.623 1.00737.35 N ATOM 6079 C5 A 0 326 251.748 28.775 95.783 1.00737.35 C ATOM 6080 C6 A 0 326 251.144 28.196 96.914 1.00737.35 C ATOM 6081 N6 A 0 326 249.824 28.078 97.067 1.00737.35 N ATOM 6082 N1 A 0 326 251.954 27.739 97.893 1.00737.35 N ATOM 6083 C2 A 0 326 253.277 27.862 97.739 1.00737.35 C ATOM 6084 N3 A 0 326 253.964 28.385 96.725 1.00737.35 N ATOM 6085 C4 A 0 326 253.131 28.829 95.768 1.00737.35 C ATOM 6086 P C 0 327 255.583 27.412 89.999 1.00737.35 P ATOM 6087 O1P C 0 327 256.596 27.234 88.928 1.00737.35 O ATOM 6088 O2P C 0 327 254.139 27.430 89.648 1.00737.35 O ATOM 6089 O5* C 0 327 255.825 26.285 91.098 1.00737.35 O ATOM 6090 C5* C 0 327 255.175 25.020 91.023 1.00737.35 C ATOM 6091 C4* C 0 327 255.468 24.218 92.269 1.00737.35 C ATOM 6092 O4* C 0 327 255.086 24.999 93.430 1.00737.35 O ATOM 6093 C3* C 0 327 254.700 22.915 92.425 1.00737.35 C ATOM 6094 O3* C 0 327 255.330 21.855 91.714 1.00737.35 O ATOM 6095 C2* C 0 327 254.749 22.700 93.935 1.00737.35 C ATOM 6096 O2* C 0 327 255.974 22.151 94.379 1.00737.35 O ATOM 6097 C1* C 0 327 254.611 24.136 94.451 1.00737.35 C ATOM 6098 N1 C 0 327 253.222 24.511 94.781 1.00737.35 N ATOM 6099 C2 C 0 327 252.831 24.542 96.130 1.00737.35 C ATOM 6100 O2 C 0 327 253.669 24.282 97.009 1.00737.35 O ATOM 6101 N3 C 0 327 251.552 24.859 96.438 1.00737.35 N ATOM 6102 C4 C 0 327 250.680 25.142 95.468 1.00737.35 C ATOM 6103 N4 C 0 327 249.428 25.437 95.823 1.00737.35 N ATOM 6104 C5 C 0 327 251.053 25.128 94.094 1.00737.35 C ATOM 6105 C6 C 0 327 252.319 24.812 93.796 1.00737.35 C ATOM 6106 P A 0 328 254.465 20.580 91.246 1.00737.35 P ATOM 6107 O1P A 0 328 255.353 19.724 90.421 1.00737.35 O ATOM 6108 O2P A 0 328 253.178 21.062 90.679 1.00737.35 O ATOM 6109 O5* A 0 328 254.152 19.809 92.606 1.00737.35 O ATOM 6110 C5* A 0 328 255.210 19.331 93.434 1.00737.35 C ATOM 6111 C4* A 0 328 254.664 18.802 94.740 1.00737.35 C ATOM 6112 O4* A 0 328 253.972 19.870 95.443 1.00737.35 O ATOM 6113 C3* A 0 328 253.623 17.698 94.634 1.00737.35 C ATOM 6114 O3* A 0 328 254.243 16.426 94.472 1.00737.35 O ATOM 6115 C2* A 0 328 252.901 17.814 95.972 1.00737.35 C ATOM 6116 O2* A 0 328 253.599 17.196 97.036 1.00737.35 O ATOM 6117 C1* A 0 328 252.886 19.329 96.179 1.00737.35 C ATOM 6118 N9 A 0 328 251.645 19.969 95.728 1.00737.35 N ATOM 6119 C8 A 0 328 251.453 20.792 94.646 1.00737.35 C ATOM 6120 N7 A 0 328 250.217 21.205 94.509 1.00737.35 N ATOM 6121 C5 A 0 328 249.548 20.613 95.571 1.00737.35 C ATOM 6122 C6 A 0 328 248.202 20.657 95.989 1.00737.35 C ATOM 6123 N6 A 0 328 247.253 21.351 95.359 1.00737.35 N ATOM 6124 N1 A 0 328 247.866 19.952 97.090 1.00737.35 N ATOM 6125 C2 A 0 328 248.817 19.257 97.724 1.00737.35 C ATOM 6126 N3 A 0 328 250.110 19.140 97.431 1.00737.35 N ATOM 6127 C4 A 0 328 250.415 19.849 96.331 1.00737.35 C ATOM 6128 P C 0 329 253.414 15.212 93.816 1.00737.35 P ATOM 6129 O1P C 0 329 254.355 14.073 93.660 1.00737.35 O ATOM 6130 O2P C 0 329 252.683 15.724 92.629 1.00737.35 O ATOM 6131 O5* C 0 329 252.347 14.826 94.933 1.00737.35 O ATOM 6132 C5* C 0 329 252.765 14.388 96.225 1.00737.35 C ATOM 6133 C4* C 0 329 251.569 14.164 97.119 1.00737.35 C ATOM 6134 O4* C 0 329 250.852 15.415 97.296 1.00737.35 O ATOM 6135 C3* C 0 329 250.516 13.201 96.591 1.00737.35 C ATOM 6136 O3* C 0 329 250.880 11.853 96.882 1.00737.35 O ATOM 6137 C2* C 0 329 249.269 13.638 97.353 1.00737.35 C ATOM 6138 O2* C 0 329 249.220 13.132 98.673 1.00737.35 O ATOM 6139 C1* C 0 329 249.460 15.158 97.395 1.00737.35 C ATOM 6140 N1 C 0 329 248.762 15.878 96.308 1.00737.35 N ATOM 6141 C2 C 0 329 247.407 16.220 96.476 1.00737.35 C ATOM 6142 O2 C 0 329 246.825 15.906 97.529 1.00737.35 O ATOM 6143 N3 C 0 329 246.767 16.881 95.484 1.00737.35 N ATOM 6144 C4 C 0 329 247.419 17.201 94.365 1.00737.35 C ATOM 6145 N4 C 0 329 246.745 17.856 93.417 1.00737.35 N ATOM 6146 C5 C 0 329 248.790 16.869 94.167 1.00737.35 C ATOM 6147 C6 C 0 329 249.417 16.212 95.153 1.00737.35 C ATOM 6148 P C 0 330 250.253 10.650 96.012 1.00737.35 P ATOM 6149 O1P C 0 330 251.066 9.438 96.293 1.00737.35 O ATOM 6150 O2P C 0 330 250.086 11.109 94.610 1.00737.35 O ATOM 6151 O5* C 0 330 248.807 10.433 96.646 1.00737.35 O ATOM 6152 C5* C 0 330 248.650 10.178 98.039 1.00737.35 C ATOM 6153 C4* C 0 330 247.220 10.426 98.462 1.00737.35 C ATOM 6154 O4* C 0 330 246.861 11.794 98.141 1.00737.35 O ATOM 6155 C3* C 0 330 246.162 9.593 97.755 1.00737.35 C ATOM 6156 O3* C 0 330 246.023 8.318 98.376 1.00737.35 O ATOM 6157 C2* C 0 330 244.911 10.444 97.930 1.00737.35 C ATOM 6158 O2* C 0 330 244.305 10.293 99.200 1.00737.35 O ATOM 6159 C1* C 0 330 245.486 11.859 97.797 1.00737.35 C ATOM 6160 N1 C 0 330 245.357 12.413 96.434 1.00737.35 N ATOM 6161 C2 C 0 330 244.243 13.212 96.136 1.00737.35 C ATOM 6162 O2 C 0 330 243.411 13.449 97.029 1.00737.35 O ATOM 6163 N3 C 0 330 244.101 13.707 94.886 1.00737.35 N ATOM 6164 C4 C 0 330 245.014 13.437 93.951 1.00737.35 C ATOM 6165 N4 C 0 330 244.821 13.942 92.729 1.00737.35 N ATOM 6166 C5 C 0 330 246.161 12.637 94.228 1.00737.35 C ATOM 6167 C6 C 0 330 246.292 12.150 95.470 1.00737.35 C ATOM 6168 P U 0 331 245.650 7.031 97.484 1.00737.35 P ATOM 6169 O1P U 0 331 245.496 5.883 98.409 1.00737.35 O ATOM 6170 O2P U 0 331 246.620 6.943 96.361 1.00737.35 O ATOM 6171 O5* U 0 331 244.218 7.381 96.878 1.00737.35 O ATOM 6172 C5* U 0 331 243.091 7.584 97.730 1.00737.35 C ATOM 6173 C4* U 0 331 241.887 7.998 96.918 1.00737.35 C ATOM 6174 O4* U 0 331 242.158 9.265 96.263 1.00737.35 O ATOM 6175 C3* U 0 331 241.493 7.063 95.787 1.00737.35 C ATOM 6176 O3* U 0 331 240.673 6.006 96.280 1.00737.35 O ATOM 6177 C2* U 0 331 240.730 7.989 94.846 1.00737.35 C ATOM 6178 O2* U 0 331 239.387 8.194 95.235 1.00737.35 O ATOM 6179 C1* U 0 331 241.516 9.295 94.997 1.00737.35 C ATOM 6180 N1 U 0 331 242.538 9.501 93.956 1.00737.35 N ATOM 6181 C2 U 0 331 242.143 10.114 92.774 1.00737.35 C ATOM 6182 O2 U 0 331 241.000 10.486 92.563 1.00737.35 O ATOM 6183 N3 U 0 331 243.142 10.278 91.846 1.00737.35 N ATOM 6184 C4 U 0 331 244.465 9.903 91.969 1.00737.35 C ATOM 6185 O4 U 0 331 245.246 10.124 91.043 1.00737.35 O ATOM 6186 C5 U 0 331 244.793 9.274 93.212 1.00737.35 C ATOM 6187 C6 U 0 331 243.844 9.099 94.138 1.00737.35 C ATOM 6188 P C 0 332 240.664 4.580 95.534 1.00737.35 P ATOM 6189 O1P C 0 332 240.260 3.570 96.545 1.00737.35 O ATOM 6190 O2P C 0 332 241.945 4.408 94.799 1.00737.35 O ATOM 6191 O5* C 0 332 239.477 4.705 94.477 1.00737.35 O ATOM 6192 C5* C 0 332 239.715 5.167 93.148 1.00737.35 C ATOM 6193 C4* C 0 332 238.439 5.107 92.338 1.00737.35 C ATOM 6194 O4* C 0 332 237.952 3.740 92.323 1.00737.35 O ATOM 6195 C3* C 0 332 237.274 5.926 92.878 1.00737.35 C ATOM 6196 O3* C 0 332 237.366 7.273 92.413 1.00737.35 O ATOM 6197 C2* C 0 332 236.066 5.191 92.305 1.00737.35 C ATOM 6198 O2* C 0 332 235.782 5.544 90.966 1.00737.35 O ATOM 6199 C1* C 0 332 236.533 3.735 92.372 1.00737.35 C ATOM 6200 N1 C 0 332 236.104 3.025 93.597 1.00737.35 N ATOM 6201 C2 C 0 332 234.854 2.385 93.609 1.00737.35 C ATOM 6202 O2 C 0 332 234.141 2.427 92.592 1.00737.35 O ATOM 6203 N3 C 0 332 234.458 1.735 94.728 1.00737.35 N ATOM 6204 C4 C 0 332 235.251 1.709 95.802 1.00737.35 C ATOM 6205 N4 C 0 332 234.816 1.056 96.883 1.00737.35 N ATOM 6206 C5 C 0 332 236.523 2.352 95.817 1.00737.35 C ATOM 6207 C6 C 0 332 236.906 2.991 94.706 1.00737.35 C ATOM 6208 P A 0 333 236.305 8.377 92.914 1.00737.35 P ATOM 6209 O1P A 0 333 235.250 8.465 91.871 1.00737.35 O ATOM 6210 O2P A 0 333 237.063 9.598 93.293 1.00737.35 O ATOM 6211 O5* A 0 333 235.666 7.765 94.241 1.00737.35 O ATOM 6212 C5* A 0 333 234.272 7.464 94.315 1.00737.35 C ATOM 6213 C4* A 0 333 233.796 7.512 95.749 1.00737.35 C ATOM 6214 O4* A 0 333 234.500 6.502 96.517 1.00737.35 O ATOM 6215 C3* A 0 333 234.063 8.811 96.492 1.00737.35 C ATOM 6216 O3* A 0 333 233.027 9.760 96.250 1.00737.35 O ATOM 6217 C2* A 0 333 234.071 8.353 97.949 1.00737.35 C ATOM 6218 O2* A 0 333 232.773 8.217 98.494 1.00737.35 O ATOM 6219 C1* A 0 333 234.728 6.975 97.835 1.00737.35 C ATOM 6220 N9 A 0 333 236.170 6.984 98.082 1.00737.35 N ATOM 6221 C8 A 0 333 237.189 7.047 97.160 1.00737.35 C ATOM 6222 N7 A 0 333 238.387 7.027 97.694 1.00737.35 N ATOM 6223 C5 A 0 333 238.143 6.951 99.058 1.00737.35 C ATOM 6224 C6 A 0 333 239.000 6.895 100.170 1.00737.35 C ATOM 6225 N6 A 0 333 240.332 6.906 100.079 1.00737.35 N ATOM 6226 N1 A 0 333 238.438 6.824 101.396 1.00737.35 N ATOM 6227 C2 A 0 333 237.102 6.809 101.486 1.00737.35 C ATOM 6228 N3 A 0 333 236.190 6.854 100.518 1.00737.35 N ATOM 6229 C4 A 0 333 236.782 6.925 99.313 1.00737.35 C ATOM 6230 P G 0 334 233.293 11.325 96.515 1.00737.35 P ATOM 6231 O1P G 0 334 234.349 11.443 97.554 1.00737.35 O ATOM 6232 O2P G 0 334 231.975 11.975 96.735 1.00737.35 O ATOM 6233 O5* G 0 334 233.879 11.865 95.133 1.00737.35 O ATOM 6234 C5* G 0 334 235.160 12.487 95.074 1.00737.35 C ATOM 6235 C4* G 0 334 235.016 13.951 94.727 1.00737.35 C ATOM 6236 O4* G 0 334 236.308 14.594 94.850 1.00737.35 O ATOM 6237 C3* G 0 334 234.556 14.253 93.311 1.00737.35 C ATOM 6238 O3* G 0 334 233.134 14.253 93.252 1.00737.35 O ATOM 6239 C2* G 0 334 235.126 15.650 93.071 1.00737.35 C ATOM 6240 O2* G 0 334 234.315 16.679 93.600 1.00737.35 O ATOM 6241 C1* G 0 334 236.444 15.588 93.848 1.00737.35 C ATOM 6242 N9 G 0 334 237.642 15.275 93.067 1.00737.35 N ATOM 6243 C8 G 0 334 237.767 15.185 91.700 1.00737.35 C ATOM 6244 N7 G 0 334 238.983 14.899 91.314 1.00737.35 N ATOM 6245 C5 G 0 334 239.703 14.793 92.498 1.00737.35 C ATOM 6246 C6 G 0 334 241.076 14.497 92.722 1.00737.35 C ATOM 6247 O6 G 0 334 241.964 14.268 91.889 1.00737.35 O ATOM 6248 N1 G 0 334 241.380 14.485 94.080 1.00737.35 N ATOM 6249 C2 G 0 334 240.485 14.724 95.092 1.00737.35 C ATOM 6250 N2 G 0 334 240.963 14.662 96.341 1.00737.35 N ATOM 6251 N3 G 0 334 239.209 15.004 94.897 1.00737.35 N ATOM 6252 C4 G 0 334 238.890 15.022 93.586 1.00737.35 C ATOM 6253 P A 0 335 232.388 14.017 91.847 1.00737.35 P ATOM 6254 O1P A 0 335 232.598 12.598 91.466 1.00737.35 O ATOM 6255 O2P A 0 335 232.793 15.096 90.911 1.00737.35 O ATOM 6256 O5* A 0 335 230.848 14.212 92.200 1.00737.35 O ATOM 6257 C5* A 0 335 230.402 15.350 92.940 1.00737.35 C ATOM 6258 C4* A 0 335 228.925 15.241 93.234 1.00737.35 C ATOM 6259 O4* A 0 335 228.670 14.007 93.958 1.00737.35 O ATOM 6260 C3* A 0 335 228.361 16.323 94.140 1.00737.35 C ATOM 6261 O3* A 0 335 228.031 17.502 93.415 1.00737.35 O ATOM 6262 C2* A 0 335 227.123 15.644 94.711 1.00737.35 C ATOM 6263 O2* A 0 335 226.024 15.644 93.821 1.00737.35 O ATOM 6264 C1* A 0 335 227.634 14.216 94.909 1.00737.35 C ATOM 6265 N9 A 0 335 228.180 13.999 96.251 1.00737.35 N ATOM 6266 C8 A 0 335 229.498 13.905 96.629 1.00737.35 C ATOM 6267 N7 A 0 335 229.667 13.729 97.917 1.00737.35 N ATOM 6268 C5 A 0 335 228.375 13.703 98.424 1.00737.35 C ATOM 6269 C6 A 0 335 227.872 13.550 99.727 1.00737.35 C ATOM 6270 N6 A 0 335 228.644 13.396 100.806 1.00737.35 N ATOM 6271 N1 A 0 335 226.531 13.566 99.891 1.00737.35 N ATOM 6272 C2 A 0 335 225.758 13.728 98.810 1.00737.35 C ATOM 6273 N3 A 0 335 226.111 13.885 97.536 1.00737.35 N ATOM 6274 C4 A 0 335 227.448 13.861 97.409 1.00737.35 C ATOM 6275 P A 0 336 228.299 18.944 94.073 1.00737.35 P ATOM 6276 O1P A 0 336 227.633 19.955 93.210 1.00737.35 O ATOM 6277 O2P A 0 336 229.752 19.066 94.354 1.00737.35 O ATOM 6278 O5* A 0 336 227.526 18.890 95.465 1.00737.35 O ATOM 6279 C5* A 0 336 226.108 18.752 95.512 1.00737.35 C ATOM 6280 C4* A 0 336 225.618 18.756 96.942 1.00737.35 C ATOM 6281 O4* A 0 336 226.167 17.613 97.650 1.00737.35 O ATOM 6282 C3* A 0 336 226.029 19.945 97.794 1.00737.35 C ATOM 6283 O3* A 0 336 225.175 21.062 97.571 1.00737.35 O ATOM 6284 C2* A 0 336 225.882 19.389 99.206 1.00737.35 C ATOM 6285 O2* A 0 336 224.545 19.399 99.672 1.00737.35 O ATOM 6286 C1* A 0 336 226.350 17.943 99.018 1.00737.35 C ATOM 6287 N9 A 0 336 227.758 17.742 99.369 1.00737.35 N ATOM 6288 C8 A 0 336 228.855 17.767 98.543 1.00737.35 C ATOM 6289 N7 A 0 336 229.991 17.554 99.163 1.00737.35 N ATOM 6290 C5 A 0 336 229.618 17.380 100.489 1.00737.35 C ATOM 6291 C6 A 0 336 230.360 17.121 101.656 1.00737.35 C ATOM 6292 N6 A 0 336 231.690 16.992 101.677 1.00737.35 N ATOM 6293 N1 A 0 336 229.683 16.999 102.818 1.00737.35 N ATOM 6294 C2 A 0 336 228.352 17.131 102.799 1.00737.35 C ATOM 6295 N3 A 0 336 227.542 17.374 101.770 1.00737.35 N ATOM 6296 C4 A 0 336 228.246 17.488 100.630 1.00737.35 C ATOM 6297 P G 0 337 225.679 22.543 97.945 1.00737.35 P ATOM 6298 O1P G 0 337 224.673 23.499 97.411 1.00737.35 O ATOM 6299 O2P G 0 337 227.103 22.678 97.542 1.00737.35 O ATOM 6300 O5* G 0 337 225.606 22.582 99.537 1.00737.35 O ATOM 6301 C5* G 0 337 224.356 22.472 100.213 1.00737.35 C ATOM 6302 C4* G 0 337 224.569 22.321 101.702 1.00737.35 C ATOM 6303 O4* G 0 337 225.315 21.102 101.964 1.00737.35 O ATOM 6304 C3* G 0 337 225.389 23.409 102.378 1.00737.35 C ATOM 6305 O3* G 0 337 224.574 24.537 102.695 1.00737.35 O ATOM 6306 C2* G 0 337 225.890 22.700 103.631 1.00737.35 C ATOM 6307 O2* G 0 337 224.927 22.650 104.666 1.00737.35 O ATOM 6308 C1* G 0 337 226.146 21.286 103.100 1.00737.35 C ATOM 6309 N9 G 0 337 227.534 21.051 102.711 1.00737.35 N ATOM 6310 C8 G 0 337 228.079 21.165 101.453 1.00737.35 C ATOM 6311 N7 G 0 337 229.355 20.888 101.420 1.00737.35 N ATOM 6312 C5 G 0 337 229.674 20.573 102.733 1.00737.35 C ATOM 6313 C6 G 0 337 230.914 20.191 103.313 1.00737.35 C ATOM 6314 O6 G 0 337 232.013 20.050 102.762 1.00737.35 O ATOM 6315 N1 G 0 337 230.790 19.964 104.679 1.00737.35 N ATOM 6316 C2 G 0 337 229.628 20.089 105.398 1.00737.35 C ATOM 6317 N2 G 0 337 229.713 19.827 106.711 1.00737.35 N ATOM 6318 N3 G 0 337 228.467 20.441 104.871 1.00737.35 N ATOM 6319 C4 G 0 337 228.562 20.667 103.545 1.00737.35 C ATOM 6320 P G 0 338 225.248 25.986 102.878 1.00737.35 P ATOM 6321 O1P G 0 338 224.145 26.969 103.015 1.00737.35 O ATOM 6322 O2P G 0 338 226.268 26.174 101.813 1.00737.35 O ATOM 6323 O5* G 0 338 226.004 25.889 104.279 1.00737.35 O ATOM 6324 C5* G 0 338 225.284 25.622 105.481 1.00737.35 C ATOM 6325 C4* G 0 338 226.232 25.195 106.579 1.00737.35 C ATOM 6326 O4* G 0 338 226.945 24.003 106.154 1.00737.35 O ATOM 6327 C3* G 0 338 227.332 26.185 106.937 1.00737.35 C ATOM 6328 O3* G 0 338 226.860 27.146 107.878 1.00737.35 O ATOM 6329 C2* G 0 338 228.397 25.277 107.535 1.00737.35 C ATOM 6330 O2* G 0 338 228.140 24.929 108.881 1.00737.35 O ATOM 6331 C1* G 0 338 228.272 24.036 106.650 1.00737.35 C ATOM 6332 N9 G 0 338 229.194 24.030 105.517 1.00737.35 N ATOM 6333 C8 G 0 338 228.921 24.394 104.220 1.00737.35 C ATOM 6334 N7 G 0 338 229.953 24.280 103.428 1.00737.35 N ATOM 6335 C5 G 0 338 230.970 23.814 104.249 1.00737.35 C ATOM 6336 C6 G 0 338 232.324 23.501 103.953 1.00737.35 C ATOM 6337 O6 G 0 338 232.911 23.578 102.868 1.00737.35 O ATOM 6338 N1 G 0 338 233.005 23.064 105.083 1.00737.35 N ATOM 6339 C2 G 0 338 232.459 22.940 106.337 1.00737.35 C ATOM 6340 N2 G 0 338 233.283 22.500 107.300 1.00737.35 N ATOM 6341 N3 G 0 338 231.202 23.225 106.626 1.00737.35 N ATOM 6342 C4 G 0 338 230.518 23.654 105.544 1.00737.35 C ATOM 6343 P U 0 339 227.566 28.590 107.971 1.00737.35 P ATOM 6344 O1P U 0 339 226.799 29.389 108.963 1.00737.35 O ATOM 6345 O2P U 0 339 227.753 29.117 106.596 1.00737.35 O ATOM 6346 O5* U 0 339 229.003 28.285 108.588 1.00737.35 O ATOM 6347 C5* U 0 339 229.139 27.612 109.839 1.00737.35 C ATOM 6348 C4* U 0 339 230.571 27.176 110.049 1.00737.35 C ATOM 6349 O4* U 0 339 230.968 26.305 108.958 1.00737.35 O ATOM 6350 C3* U 0 339 231.610 28.286 110.054 1.00737.35 C ATOM 6351 O3* U 0 339 231.719 28.842 111.363 1.00737.35 O ATOM 6352 C2* U 0 339 232.878 27.548 109.640 1.00737.35 C ATOM 6353 O2* U 0 339 233.498 26.863 110.710 1.00737.35 O ATOM 6354 C1* U 0 339 232.327 26.538 108.630 1.00737.35 C ATOM 6355 N1 U 0 339 232.404 26.984 107.227 1.00737.35 N ATOM 6356 C2 U 0 339 233.568 26.716 106.521 1.00737.35 C ATOM 6357 O2 U 0 339 234.528 26.139 107.011 1.00737.35 O ATOM 6358 N3 U 0 339 233.568 27.151 105.219 1.00737.35 N ATOM 6359 C4 U 0 339 232.551 27.809 104.560 1.00737.35 C ATOM 6360 O4 U 0 339 232.692 28.116 103.377 1.00737.35 O ATOM 6361 C5 U 0 339 231.388 28.055 105.356 1.00737.35 C ATOM 6362 C6 U 0 339 231.353 27.647 106.627 1.00737.35 C ATOM 6363 P G 0 340 232.433 30.268 111.578 1.00737.35 P ATOM 6364 O1P G 0 340 233.854 30.115 111.165 1.00737.35 O ATOM 6365 O2P G 0 340 232.117 30.731 112.952 1.00737.35 O ATOM 6366 O5* G 0 340 231.697 31.238 110.552 1.00737.35 O ATOM 6367 C5* G 0 340 232.344 31.673 109.358 1.00737.35 C ATOM 6368 C4* G 0 340 232.175 33.165 109.183 1.00737.35 C ATOM 6369 O4* G 0 340 232.610 33.840 110.393 1.00737.35 O ATOM 6370 C3* G 0 340 233.024 33.778 108.081 1.00737.35 C ATOM 6371 O3* G 0 340 232.374 33.674 106.819 1.00737.35 O ATOM 6372 C2* G 0 340 233.151 35.226 108.536 1.00737.35 C ATOM 6373 O2* G 0 340 232.024 36.014 108.208 1.00737.35 O ATOM 6374 C1* G 0 340 233.243 35.065 110.057 1.00737.35 C ATOM 6375 N9 G 0 340 234.608 35.036 110.573 1.00737.35 N ATOM 6376 C8 G 0 340 235.410 33.932 110.746 1.00737.35 C ATOM 6377 N7 G 0 340 236.582 34.223 111.238 1.00737.35 N ATOM 6378 C5 G 0 340 236.559 35.602 111.396 1.00737.35 C ATOM 6379 C6 G 0 340 237.552 36.488 111.890 1.00737.35 C ATOM 6380 O6 G 0 340 238.688 36.221 112.299 1.00737.35 O ATOM 6381 N1 G 0 340 237.110 37.806 111.880 1.00737.35 N ATOM 6382 C2 G 0 340 235.874 38.224 111.451 1.00737.35 C ATOM 6383 N2 G 0 340 235.640 39.542 111.520 1.00737.35 N ATOM 6384 N3 G 0 340 234.941 37.408 110.988 1.00737.35 N ATOM 6385 C4 G 0 340 235.348 36.121 110.989 1.00737.35 C ATOM 6386 P A 0 341 233.060 32.828 105.635 1.00737.35 P ATOM 6387 O1P A 0 341 232.279 31.573 105.480 1.00737.35 O ATOM 6388 O2P A 0 341 234.523 32.751 105.884 1.00737.35 O ATOM 6389 O5* A 0 341 232.833 33.719 104.337 1.00737.35 O ATOM 6390 C5* A 0 341 231.526 33.942 103.808 1.00737.35 C ATOM 6391 C4* A 0 341 231.625 34.473 102.397 1.00737.35 C ATOM 6392 O4* A 0 341 232.337 35.738 102.424 1.00737.35 O ATOM 6393 C3* A 0 341 232.419 33.598 101.441 1.00737.35 C ATOM 6394 O3* A 0 341 231.569 32.623 100.837 1.00737.35 O ATOM 6395 C2* A 0 341 232.934 34.606 100.420 1.00737.35 C ATOM 6396 O2* A 0 341 231.978 34.933 99.431 1.00737.35 O ATOM 6397 C1* A 0 341 233.199 35.828 101.304 1.00737.35 C ATOM 6398 N9 A 0 341 234.574 35.941 101.792 1.00737.35 N ATOM 6399 C8 A 0 341 235.204 35.162 102.734 1.00737.35 C ATOM 6400 N7 A 0 341 236.440 35.524 102.979 1.00737.35 N ATOM 6401 C5 A 0 341 236.640 36.613 102.141 1.00737.35 C ATOM 6402 C6 A 0 341 237.748 37.453 101.932 1.00737.35 C ATOM 6403 N6 A 0 341 238.909 37.326 102.579 1.00737.35 N ATOM 6404 N1 A 0 341 237.620 38.446 101.024 1.00737.35 N ATOM 6405 C2 A 0 341 236.454 38.578 100.382 1.00737.35 C ATOM 6406 N3 A 0 341 235.342 37.855 100.494 1.00737.35 N ATOM 6407 C4 A 0 341 235.502 36.877 101.400 1.00737.35 C ATOM 6408 P G 0 342 231.571 31.107 101.382 1.00737.35 P ATOM 6409 O1P G 0 342 230.151 30.747 101.630 1.00737.35 O ATOM 6410 O2P G 0 342 232.559 30.983 102.483 1.00737.35 O ATOM 6411 O5* G 0 342 232.096 30.248 100.143 1.00737.35 O ATOM 6412 C5* G 0 342 231.589 28.937 99.888 1.00737.35 C ATOM 6413 C4* G 0 342 232.056 28.443 98.538 1.00737.35 C ATOM 6414 O4* G 0 342 231.650 29.404 97.523 1.00737.35 O ATOM 6415 C3* G 0 342 233.563 28.312 98.361 1.00737.35 C ATOM 6416 O3* G 0 342 234.113 27.146 99.000 1.00737.35 O ATOM 6417 C2* G 0 342 233.758 28.522 96.861 1.00737.35 C ATOM 6418 O2* G 0 342 233.526 27.406 96.029 1.00737.35 O ATOM 6419 C1* G 0 342 232.690 29.575 96.570 1.00737.35 C ATOM 6420 N9 G 0 342 233.188 30.946 96.664 1.00737.35 N ATOM 6421 C8 G 0 342 232.986 31.838 97.690 1.00737.35 C ATOM 6422 N7 G 0 342 233.565 32.991 97.493 1.00737.35 N ATOM 6423 C5 G 0 342 234.188 32.855 96.260 1.00737.35 C ATOM 6424 C6 G 0 342 234.973 33.777 95.521 1.00737.35 C ATOM 6425 O6 G 0 342 235.286 34.936 95.817 1.00737.35 O ATOM 6426 N1 G 0 342 235.409 33.228 94.320 1.00737.35 N ATOM 6427 C2 G 0 342 235.129 31.957 93.883 1.00737.35 C ATOM 6428 N2 G 0 342 235.640 31.613 92.691 1.00737.35 N ATOM 6429 N3 G 0 342 234.397 31.087 94.563 1.00737.35 N ATOM 6430 C4 G 0 342 233.964 31.601 95.733 1.00737.35 C ATOM 6431 P A 0 343 233.880 25.662 98.400 1.00737.35 P ATOM 6432 O1P A 0 343 232.848 25.681 97.335 1.00737.35 O ATOM 6433 O2P A 0 343 233.681 24.783 99.580 1.00737.35 O ATOM 6434 O5* A 0 343 235.291 25.256 97.769 1.00737.35 O ATOM 6435 C5* A 0 343 235.721 25.753 96.504 1.00737.35 C ATOM 6436 C4* A 0 343 237.172 25.393 96.261 1.00737.35 C ATOM 6437 O4* A 0 343 237.977 25.967 97.321 1.00737.35 O ATOM 6438 C3* A 0 343 237.503 23.907 96.281 1.00737.35 C ATOM 6439 O3* A 0 343 237.340 23.341 94.981 1.00737.35 O ATOM 6440 C2* A 0 343 238.976 23.902 96.685 1.00737.35 C ATOM 6441 O2* A 0 343 239.850 24.127 95.596 1.00737.35 O ATOM 6442 C1* A 0 343 239.043 25.092 97.645 1.00737.35 C ATOM 6443 N9 A 0 343 238.934 24.733 99.060 1.00737.35 N ATOM 6444 C8 A 0 343 237.796 24.589 99.818 1.00737.35 C ATOM 6445 N7 A 0 343 238.028 24.275 101.068 1.00737.35 N ATOM 6446 C5 A 0 343 239.412 24.202 101.142 1.00737.35 C ATOM 6447 C6 A 0 343 240.292 23.914 102.203 1.00737.35 C ATOM 6448 N6 A 0 343 239.886 23.633 103.443 1.00737.35 N ATOM 6449 N1 A 0 343 241.615 23.923 101.941 1.00737.35 N ATOM 6450 C2 A 0 343 242.021 24.207 100.698 1.00737.35 C ATOM 6451 N3 A 0 343 241.295 24.497 99.621 1.00737.35 N ATOM 6452 C4 A 0 343 239.983 24.479 99.913 1.00737.35 C ATOM 6453 P G 0 344 236.821 21.825 94.818 1.00737.35 P ATOM 6454 O1P G 0 344 237.652 21.195 93.760 1.00737.35 O ATOM 6455 O2P G 0 344 235.343 21.858 94.663 1.00737.35 O ATOM 6456 O5* G 0 344 237.183 21.114 96.197 1.00737.35 O ATOM 6457 C5* G 0 344 236.307 20.147 96.773 1.00737.35 C ATOM 6458 C4* G 0 344 237.088 18.946 97.259 1.00737.35 C ATOM 6459 O4* G 0 344 237.750 18.307 96.135 1.00737.35 O ATOM 6460 C3* G 0 344 238.217 19.225 98.238 1.00737.35 C ATOM 6461 O3* G 0 344 237.726 19.346 99.569 1.00737.35 O ATOM 6462 C2* G 0 344 239.094 17.990 98.074 1.00737.35 C ATOM 6463 O2* G 0 344 238.617 16.873 98.797 1.00737.35 O ATOM 6464 C1* G 0 344 238.967 17.723 96.571 1.00737.35 C ATOM 6465 N9 G 0 344 240.067 18.269 95.777 1.00737.35 N ATOM 6466 C8 G 0 344 239.977 19.123 94.702 1.00737.35 C ATOM 6467 N7 G 0 344 241.140 19.427 94.190 1.00737.35 N ATOM 6468 C5 G 0 344 242.055 18.738 94.974 1.00737.35 C ATOM 6469 C6 G 0 344 243.472 18.678 94.898 1.00737.35 C ATOM 6470 O6 G 0 344 244.227 19.240 94.096 1.00737.35 O ATOM 6471 N1 G 0 344 244.002 17.861 95.892 1.00737.35 N ATOM 6472 C2 G 0 344 243.268 17.188 96.834 1.00737.35 C ATOM 6473 N2 G 0 344 243.966 16.446 97.710 1.00737.35 N ATOM 6474 N3 G 0 344 241.949 17.230 96.915 1.00737.35 N ATOM 6475 C4 G 0 344 241.410 18.020 95.960 1.00737.35 C ATOM 6476 P U 0 345 238.514 20.260 100.627 1.00737.35 P ATOM 6477 O1P U 0 345 237.751 20.232 101.900 1.00737.35 O ATOM 6478 O2P U 0 345 238.808 21.565 99.979 1.00737.35 O ATOM 6479 O5* U 0 345 239.897 19.496 100.849 1.00737.35 O ATOM 6480 C5* U 0 345 239.938 18.238 101.518 1.00737.35 C ATOM 6481 C4* U 0 345 241.367 17.849 101.821 1.00737.35 C ATOM 6482 O4* U 0 345 242.083 17.619 100.582 1.00737.35 O ATOM 6483 C3* U 0 345 242.200 18.896 102.544 1.00737.35 C ATOM 6484 O3* U 0 345 241.970 18.845 103.950 1.00737.35 O ATOM 6485 C2* U 0 345 243.620 18.487 102.180 1.00737.35 C ATOM 6486 O2* U 0 345 244.118 17.430 102.977 1.00737.35 O ATOM 6487 C1* U 0 345 243.440 18.006 100.736 1.00737.35 C ATOM 6488 N1 U 0 345 243.761 19.026 99.723 1.00737.35 N ATOM 6489 C2 U 0 345 245.081 19.129 99.301 1.00737.35 C ATOM 6490 O2 U 0 345 245.977 18.417 99.731 1.00737.35 O ATOM 6491 N3 U 0 345 245.312 20.096 98.354 1.00737.35 N ATOM 6492 C4 U 0 345 244.387 20.954 97.796 1.00737.35 C ATOM 6493 O4 U 0 345 244.754 21.769 96.947 1.00737.35 O ATOM 6494 C5 U 0 345 243.051 20.790 98.283 1.00737.35 C ATOM 6495 C6 U 0 345 242.789 19.858 99.204 1.00737.35 C ATOM 6496 P C 0 346 242.140 20.177 104.834 1.00737.35 P ATOM 6497 O1P C 0 346 241.412 21.272 104.142 1.00737.35 O ATOM 6498 O2P C 0 346 243.583 20.338 105.146 1.00737.35 O ATOM 6499 O5* C 0 346 241.351 19.844 106.179 1.00737.35 O ATOM 6500 C5* C 0 346 241.920 20.120 107.457 1.00737.35 C ATOM 6501 C4* C 0 346 240.834 20.460 108.453 1.00737.35 C ATOM 6502 O4* C 0 346 240.193 21.703 108.061 1.00737.35 O ATOM 6503 C3* C 0 346 239.689 19.464 108.554 1.00737.35 C ATOM 6504 O3* C 0 346 240.016 18.385 109.425 1.00737.35 O ATOM 6505 C2* C 0 346 238.560 20.326 109.106 1.00737.35 C ATOM 6506 O2* C 0 346 238.637 20.513 110.506 1.00737.35 O ATOM 6507 C1* C 0 346 238.812 21.654 108.387 1.00737.35 C ATOM 6508 N1 C 0 346 238.024 21.811 107.147 1.00737.35 N ATOM 6509 C2 C 0 346 236.741 22.382 107.224 1.00737.35 C ATOM 6510 O2 C 0 346 236.304 22.744 108.329 1.00737.35 O ATOM 6511 N3 C 0 346 236.015 22.524 106.093 1.00737.35 N ATOM 6512 C4 C 0 346 236.516 22.124 104.920 1.00737.35 C ATOM 6513 N4 C 0 346 235.762 22.286 103.831 1.00737.35 N ATOM 6514 C5 C 0 346 237.812 21.546 104.813 1.00737.35 C ATOM 6515 C6 C 0 346 238.526 21.408 105.939 1.00737.35 C ATOM 6516 P C 0 347 239.305 16.957 109.227 1.00737.35 P ATOM 6517 O1P C 0 347 239.895 16.027 110.225 1.00737.35 O ATOM 6518 O2P C 0 347 239.348 16.602 107.785 1.00737.35 O ATOM 6519 O5* C 0 347 237.787 17.224 109.629 1.00737.35 O ATOM 6520 C5* C 0 347 237.434 17.571 110.967 1.00737.35 C ATOM 6521 C4* C 0 347 235.954 17.855 111.068 1.00737.35 C ATOM 6522 O4* C 0 347 235.623 19.010 110.255 1.00737.35 O ATOM 6523 C3* C 0 347 235.026 16.762 110.555 1.00737.35 C ATOM 6524 O3* C 0 347 234.822 15.757 111.543 1.00737.35 O ATOM 6525 C2* C 0 347 233.749 17.542 110.258 1.00737.35 C ATOM 6526 O2* C 0 347 232.967 17.788 111.410 1.00737.35 O ATOM 6527 C1* C 0 347 234.312 18.862 109.726 1.00737.35 C ATOM 6528 N1 C 0 347 234.378 18.927 108.251 1.00737.35 N ATOM 6529 C2 C 0 347 233.232 19.320 107.538 1.00737.35 C ATOM 6530 O2 C 0 347 232.197 19.606 108.163 1.00737.35 O ATOM 6531 N3 C 0 347 233.283 19.379 106.188 1.00737.35 N ATOM 6532 C4 C 0 347 234.411 19.066 105.547 1.00737.35 C ATOM 6533 N4 C 0 347 234.412 19.141 104.214 1.00737.35 N ATOM 6534 C5 C 0 347 235.588 18.663 106.243 1.00737.35 C ATOM 6535 C6 C 0 347 235.528 18.608 107.581 1.00737.35 C ATOM 6536 P U 0 348 234.344 14.287 111.099 1.00737.35 P ATOM 6537 O1P U 0 348 234.358 13.432 112.312 1.00737.35 O ATOM 6538 O2P U 0 348 235.126 13.875 109.904 1.00737.35 O ATOM 6539 O5* U 0 348 232.829 14.496 110.653 1.00737.35 O ATOM 6540 C5* U 0 348 231.838 14.904 111.595 1.00737.35 C ATOM 6541 C4* U 0 348 230.537 15.220 110.894 1.00737.35 C ATOM 6542 O4* U 0 348 230.735 16.340 109.991 1.00737.35 O ATOM 6543 C3* U 0 348 229.976 14.124 110.005 1.00737.35 C ATOM 6544 O3* U 0 348 229.234 13.172 110.764 1.00737.35 O ATOM 6545 C2* U 0 348 229.080 14.908 109.051 1.00737.35 C ATOM 6546 O2* U 0 348 227.819 15.224 109.606 1.00737.35 O ATOM 6547 C1* U 0 348 229.895 16.190 108.855 1.00737.35 C ATOM 6548 N1 U 0 348 230.731 16.177 107.642 1.00737.35 N ATOM 6549 C2 U 0 348 230.150 16.597 106.451 1.00737.35 C ATOM 6550 O2 U 0 348 228.993 16.977 106.370 1.00737.35 O ATOM 6551 N3 U 0 348 230.980 16.557 105.357 1.00737.35 N ATOM 6552 C4 U 0 348 232.298 16.148 105.325 1.00737.35 C ATOM 6553 O4 U 0 348 232.912 16.169 104.257 1.00737.35 O ATOM 6554 C5 U 0 348 232.823 15.733 106.588 1.00737.35 C ATOM 6555 C6 U 0 348 232.044 15.760 107.674 1.00737.35 C ATOM 6556 P G 0 349 229.075 11.669 110.217 1.00737.35 P ATOM 6557 O1P G 0 349 228.110 10.974 111.106 1.00737.35 O ATOM 6558 O2P G 0 349 230.432 11.098 110.018 1.00737.35 O ATOM 6559 O5* G 0 349 228.386 11.857 108.791 1.00737.35 O ATOM 6560 C5* G 0 349 228.520 10.872 107.771 1.00737.35 C ATOM 6561 C4* G 0 349 228.205 11.476 106.424 1.00737.35 C ATOM 6562 O4* G 0 349 229.062 12.627 106.200 1.00737.35 O ATOM 6563 C3* G 0 349 228.460 10.575 105.225 1.00737.35 C ATOM 6564 O3* G 0 349 227.345 9.724 104.984 1.00737.35 O ATOM 6565 C2* G 0 349 228.661 11.583 104.100 1.00737.35 C ATOM 6566 O2* G 0 349 227.446 12.085 103.578 1.00737.35 O ATOM 6567 C1* G 0 349 229.411 12.703 104.826 1.00737.35 C ATOM 6568 N9 G 0 349 230.865 12.610 104.710 1.00737.35 N ATOM 6569 C8 G 0 349 231.747 12.125 105.648 1.00737.35 C ATOM 6570 N7 G 0 349 232.990 12.169 105.253 1.00737.35 N ATOM 6571 C5 G 0 349 232.930 12.716 103.978 1.00737.35 C ATOM 6572 C6 G 0 349 233.966 13.008 103.051 1.00737.35 C ATOM 6573 O6 G 0 349 235.183 12.836 103.177 1.00737.35 O ATOM 6574 N1 G 0 349 233.458 13.554 101.876 1.00737.35 N ATOM 6575 C2 G 0 349 232.130 13.792 101.623 1.00737.35 C ATOM 6576 N2 G 0 349 231.845 14.323 100.425 1.00737.35 N ATOM 6577 N3 G 0 349 231.156 13.526 102.476 1.00737.35 N ATOM 6578 C4 G 0 349 231.624 12.993 103.626 1.00737.35 C ATOM 6579 P U 0 350 227.569 8.295 104.278 1.00737.35 P ATOM 6580 O1P U 0 350 226.238 7.640 104.179 1.00737.35 O ATOM 6581 O2P U 0 350 228.680 7.596 104.970 1.00737.35 O ATOM 6582 O5* U 0 350 228.052 8.665 102.805 1.00737.35 O ATOM 6583 C5* U 0 350 227.213 9.413 101.924 1.00737.35 C ATOM 6584 C4* U 0 350 227.987 9.841 100.700 1.00737.35 C ATOM 6585 O4* U 0 350 229.088 10.696 101.104 1.00737.35 O ATOM 6586 C3* U 0 350 228.656 8.721 99.917 1.00737.35 C ATOM 6587 O3* U 0 350 227.731 8.130 99.009 1.00737.35 O ATOM 6588 C2* U 0 350 229.776 9.457 99.190 1.00737.35 C ATOM 6589 O2* U 0 350 229.342 10.118 98.019 1.00737.35 O ATOM 6590 C1* U 0 350 230.195 10.490 100.240 1.00737.35 C ATOM 6591 N1 U 0 350 231.355 10.084 101.051 1.00737.35 N ATOM 6592 C2 U 0 350 232.608 10.521 100.650 1.00737.35 C ATOM 6593 O2 U 0 350 232.787 11.225 99.670 1.00737.35 O ATOM 6594 N3 U 0 350 233.650 10.104 101.443 1.00737.35 N ATOM 6595 C4 U 0 350 233.573 9.315 102.572 1.00737.35 C ATOM 6596 O4 U 0 350 234.604 9.026 103.180 1.00737.35 O ATOM 6597 C5 U 0 350 232.247 8.906 102.922 1.00737.35 C ATOM 6598 C6 U 0 350 231.213 9.290 102.172 1.00737.35 C ATOM 6599 P A 0 351 227.500 6.538 99.028 1.00737.35 P ATOM 6600 O1P A 0 351 226.372 6.249 98.105 1.00737.35 O ATOM 6601 O2P A 0 351 227.420 6.090 100.444 1.00737.35 O ATOM 6602 O5* A 0 351 228.836 5.944 98.397 1.00737.35 O ATOM 6603 C5* A 0 351 229.028 5.903 96.982 1.00737.35 C ATOM 6604 C4* A 0 351 230.198 5.011 96.638 1.00737.35 C ATOM 6605 O4* A 0 351 231.420 5.596 97.155 1.00737.35 O ATOM 6606 C3* A 0 351 230.163 3.616 97.244 1.00737.35 C ATOM 6607 O3* A 0 351 229.384 2.726 96.450 1.00737.35 O ATOM 6608 C2* A 0 351 231.637 3.230 97.250 1.00737.35 C ATOM 6609 O2* A 0 351 232.094 2.769 95.993 1.00737.35 O ATOM 6610 C1* A 0 351 232.300 4.569 97.583 1.00737.35 C ATOM 6611 N9 A 0 351 232.565 4.748 99.012 1.00737.35 N ATOM 6612 C8 A 0 351 231.760 5.340 99.957 1.00737.35 C ATOM 6613 N7 A 0 351 232.278 5.352 101.159 1.00737.35 N ATOM 6614 C5 A 0 351 233.506 4.727 101.001 1.00737.35 C ATOM 6615 C6 A 0 351 234.539 4.424 101.907 1.00737.35 C ATOM 6616 N6 A 0 351 234.497 4.728 103.206 1.00737.35 N ATOM 6617 N1 A 0 351 235.631 3.792 101.424 1.00737.35 N ATOM 6618 C2 A 0 351 235.675 3.488 100.121 1.00737.35 C ATOM 6619 N3 A 0 351 234.769 3.718 99.173 1.00737.35 N ATOM 6620 C4 A 0 351 233.696 4.347 99.683 1.00737.35 C ATOM 6621 P G 0 352 228.554 1.547 97.160 1.00737.35 P ATOM 6622 O1P G 0 352 227.950 0.721 96.080 1.00737.35 O ATOM 6623 O2P G 0 352 227.679 2.149 98.198 1.00737.35 O ATOM 6624 O5* G 0 352 229.669 0.674 97.891 1.00737.35 O ATOM 6625 C5* G 0 352 230.656 -0.036 97.144 1.00737.35 C ATOM 6626 C4* G 0 352 231.752 -0.533 98.058 1.00737.35 C ATOM 6627 O4* G 0 352 232.419 0.601 98.672 1.00737.35 O ATOM 6628 C3* G 0 352 231.299 -1.383 99.236 1.00737.35 C ATOM 6629 O3* G 0 352 231.137 -2.744 98.854 1.00737.35 O ATOM 6630 C2* G 0 352 232.445 -1.200 100.223 1.00737.35 C ATOM 6631 O2* G 0 352 233.565 -2.013 99.937 1.00737.35 O ATOM 6632 C1* G 0 352 232.804 0.272 99.998 1.00737.35 C ATOM 6633 N9 G 0 352 232.123 1.179 100.920 1.00737.35 N ATOM 6634 C8 G 0 352 230.943 1.855 100.701 1.00737.35 C ATOM 6635 N7 G 0 352 230.580 2.590 101.717 1.00737.35 N ATOM 6636 C5 G 0 352 231.576 2.390 102.662 1.00737.35 C ATOM 6637 C6 G 0 352 231.725 2.926 103.968 1.00737.35 C ATOM 6638 O6 G 0 352 230.981 3.710 104.568 1.00737.35 O ATOM 6639 N1 G 0 352 232.880 2.459 104.584 1.00737.35 N ATOM 6640 C2 G 0 352 233.782 1.589 104.019 1.00737.35 C ATOM 6641 N2 G 0 352 234.837 1.256 104.777 1.00737.35 N ATOM 6642 N3 G 0 352 233.655 1.083 102.804 1.00737.35 N ATOM 6643 C4 G 0 352 232.538 1.523 102.185 1.00737.35 C ATOM 6644 P G 0 353 230.165 -3.703 99.706 1.00737.35 P ATOM 6645 O1P G 0 353 230.117 -5.015 99.011 1.00737.35 O ATOM 6646 O2P G 0 353 228.900 -2.973 99.977 1.00737.35 O ATOM 6647 O5* G 0 353 230.932 -3.896 101.089 1.00737.35 O ATOM 6648 C5* G 0 353 232.184 -4.578 101.141 1.00737.35 C ATOM 6649 C4* G 0 353 232.796 -4.456 102.518 1.00737.35 C ATOM 6650 O4* G 0 353 233.075 -3.059 102.802 1.00737.35 O ATOM 6651 C3* G 0 353 231.920 -4.905 103.679 1.00737.35 C ATOM 6652 O3* G 0 353 231.999 -6.315 103.866 1.00737.35 O ATOM 6653 C2* G 0 353 232.523 -4.140 104.850 1.00737.35 C ATOM 6654 O2* G 0 353 233.689 -4.748 105.373 1.00737.35 O ATOM 6655 C1* G 0 353 232.891 -2.809 104.188 1.00737.35 C ATOM 6656 N9 G 0 353 231.867 -1.778 104.346 1.00737.35 N ATOM 6657 C8 G 0 353 230.971 -1.339 103.399 1.00737.35 C ATOM 6658 N7 G 0 353 230.177 -0.403 103.839 1.00737.35 N ATOM 6659 C5 G 0 353 230.566 -0.211 105.156 1.00737.35 C ATOM 6660 C6 G 0 353 230.067 0.680 106.145 1.00737.35 C ATOM 6661 O6 G 0 353 229.149 1.504 106.048 1.00737.35 O ATOM 6662 N1 G 0 353 230.752 0.542 107.347 1.00737.35 N ATOM 6663 C2 G 0 353 231.782 -0.334 107.575 1.00737.35 C ATOM 6664 N2 G 0 353 232.312 -0.318 108.807 1.00737.35 N ATOM 6665 N3 G 0 353 232.259 -1.166 106.663 1.00737.35 N ATOM 6666 C4 G 0 353 231.610 -1.051 105.485 1.00737.35 C ATOM 6667 P C 0 354 230.803 -7.089 104.611 1.00737.35 P ATOM 6668 O1P C 0 354 231.106 -8.542 104.534 1.00737.35 O ATOM 6669 O2P C 0 354 229.509 -6.583 104.084 1.00737.35 O ATOM 6670 O5* C 0 354 230.935 -6.631 106.132 1.00737.35 O ATOM 6671 C5* C 0 354 232.095 -6.958 106.894 1.00737.35 C ATOM 6672 C4* C 0 354 232.037 -6.295 108.253 1.00737.35 C ATOM 6673 O4* C 0 354 232.033 -4.853 108.085 1.00737.35 O ATOM 6674 C3* C 0 354 230.794 -6.578 109.080 1.00737.35 C ATOM 6675 O3* C 0 354 230.918 -7.806 109.790 1.00737.35 O ATOM 6676 C2* C 0 354 230.763 -5.384 110.026 1.00737.35 C ATOM 6677 O2* C 0 354 231.631 -5.529 111.132 1.00737.35 O ATOM 6678 C1* C 0 354 231.264 -4.258 109.119 1.00737.35 C ATOM 6679 N1 C 0 354 230.176 -3.462 108.514 1.00737.35 N ATOM 6680 C2 C 0 354 229.630 -2.394 109.246 1.00737.35 C ATOM 6681 O2 C 0 354 230.077 -2.142 110.377 1.00737.35 O ATOM 6682 N3 C 0 354 228.632 -1.661 108.701 1.00737.35 N ATOM 6683 C4 C 0 354 228.174 -1.956 107.483 1.00737.35 C ATOM 6684 N4 C 0 354 227.186 -1.208 106.988 1.00737.35 N ATOM 6685 C5 C 0 354 228.710 -3.033 106.716 1.00737.35 C ATOM 6686 C6 C 0 354 229.698 -3.752 107.264 1.00737.35 C ATOM 6687 P G 0 355 229.638 -8.765 109.952 1.00737.35 P ATOM 6688 O1P G 0 355 230.012 -9.847 110.897 1.00737.35 O ATOM 6689 O2P G 0 355 229.141 -9.118 108.596 1.00737.35 O ATOM 6690 O5* G 0 355 228.545 -7.843 110.656 1.00737.35 O ATOM 6691 C5* G 0 355 228.767 -7.306 111.960 1.00737.35 C ATOM 6692 C4* G 0 355 227.753 -6.225 112.261 1.00737.35 C ATOM 6693 O4* G 0 355 227.909 -5.144 111.304 1.00737.35 O ATOM 6694 C3* G 0 355 226.294 -6.635 112.133 1.00737.35 C ATOM 6695 O3* G 0 355 225.825 -7.241 113.332 1.00737.35 O ATOM 6696 C2* G 0 355 225.605 -5.300 111.874 1.00737.35 C ATOM 6697 O2* G 0 355 225.385 -4.552 113.054 1.00737.35 O ATOM 6698 C1* G 0 355 226.639 -4.589 110.997 1.00737.35 C ATOM 6699 N9 G 0 355 226.395 -4.747 109.565 1.00737.35 N ATOM 6700 C8 G 0 355 226.972 -5.664 108.719 1.00737.35 C ATOM 6701 N7 G 0 355 226.549 -5.563 107.487 1.00737.35 N ATOM 6702 C5 G 0 355 225.637 -4.516 107.522 1.00737.35 C ATOM 6703 C6 G 0 355 224.853 -3.945 106.485 1.00737.35 C ATOM 6704 O6 G 0 355 224.808 -4.261 105.289 1.00737.35 O ATOM 6705 N1 G 0 355 224.062 -2.905 106.959 1.00737.35 N ATOM 6706 C2 G 0 355 224.026 -2.465 108.258 1.00737.35 C ATOM 6707 N2 G 0 355 223.194 -1.445 108.517 1.00737.35 N ATOM 6708 N3 G 0 355 224.751 -2.987 109.233 1.00737.35 N ATOM 6709 C4 G 0 355 225.530 -4.002 108.797 1.00737.35 C ATOM 6710 P A 0 356 224.708 -8.397 113.256 1.00737.35 P ATOM 6711 O1P A 0 356 225.388 -9.643 112.817 1.00737.35 O ATOM 6712 O2P A 0 356 223.550 -7.879 112.484 1.00737.35 O ATOM 6713 O5* A 0 356 224.250 -8.583 114.772 1.00737.35 O ATOM 6714 C5* A 0 356 225.154 -9.071 115.760 1.00737.35 C ATOM 6715 C4* A 0 356 224.696 -8.658 117.139 1.00737.35 C ATOM 6716 O4* A 0 356 224.734 -7.210 117.241 1.00737.35 O ATOM 6717 C3* A 0 356 223.262 -9.022 117.492 1.00737.35 C ATOM 6718 O3* A 0 356 223.167 -10.357 117.983 1.00737.35 O ATOM 6719 C2* A 0 356 222.923 -7.993 118.563 1.00737.35 C ATOM 6720 O2* A 0 356 223.428 -8.330 119.839 1.00737.35 O ATOM 6721 C1* A 0 356 223.645 -6.753 118.029 1.00737.35 C ATOM 6722 N9 A 0 356 222.793 -5.903 117.195 1.00737.35 N ATOM 6723 C8 A 0 356 222.737 -5.846 115.822 1.00737.35 C ATOM 6724 N7 A 0 356 221.866 -4.981 115.363 1.00737.35 N ATOM 6725 C5 A 0 356 221.310 -4.428 116.508 1.00737.35 C ATOM 6726 C6 A 0 356 220.321 -3.447 116.699 1.00737.35 C ATOM 6727 N6 A 0 356 219.693 -2.824 115.699 1.00737.35 N ATOM 6728 N1 A 0 356 219.995 -3.125 117.969 1.00737.35 N ATOM 6729 C2 A 0 356 220.624 -3.751 118.971 1.00737.35 C ATOM 6730 N3 A 0 356 221.568 -4.688 118.918 1.00737.35 N ATOM 6731 C4 A 0 356 221.870 -4.986 117.643 1.00737.35 C ATOM 6732 P A 0 357 221.849 -11.230 117.678 1.00737.35 P ATOM 6733 O1P A 0 357 222.308 -12.572 117.237 1.00737.35 O ATOM 6734 O2P A 0 357 220.943 -10.443 116.802 1.00737.35 O ATOM 6735 O5* A 0 357 221.148 -11.379 119.102 1.00737.35 O ATOM 6736 C5* A 0 357 221.606 -12.340 120.050 1.00737.35 C ATOM 6737 C4* A 0 357 220.979 -12.087 121.403 1.00737.35 C ATOM 6738 O4* A 0 357 221.403 -10.783 121.890 1.00737.35 O ATOM 6739 C3* A 0 357 219.459 -12.028 121.441 1.00737.35 C ATOM 6740 O3* A 0 357 218.884 -13.329 121.527 1.00737.35 O ATOM 6741 C2* A 0 357 219.210 -11.197 122.693 1.00737.35 C ATOM 6742 O2* A 0 357 219.336 -11.938 123.892 1.00737.35 O ATOM 6743 C1* A 0 357 220.333 -10.165 122.594 1.00737.35 C ATOM 6744 N9 A 0 357 219.935 -8.959 121.863 1.00737.35 N ATOM 6745 C8 A 0 357 220.360 -8.539 120.626 1.00737.35 C ATOM 6746 N7 A 0 357 219.815 -7.415 120.230 1.00737.35 N ATOM 6747 C5 A 0 357 218.974 -7.067 121.277 1.00737.35 C ATOM 6748 C6 A 0 357 218.109 -5.977 121.471 1.00737.35 C ATOM 6749 N6 A 0 357 217.941 -4.996 120.581 1.00737.35 N ATOM 6750 N1 A 0 357 217.410 -5.928 122.626 1.00737.35 N ATOM 6751 C2 A 0 357 217.577 -6.911 123.517 1.00737.35 C ATOM 6752 N3 A 0 357 218.359 -7.987 123.452 1.00737.35 N ATOM 6753 C4 A 0 357 219.040 -8.008 122.291 1.00737.35 C ATOM 6754 P C 0 358 217.287 -13.516 121.375 1.00737.35 P ATOM 6755 O1P C 0 358 216.687 -13.241 122.703 1.00737.35 O ATOM 6756 O2P C 0 358 217.046 -14.828 120.720 1.00737.35 O ATOM 6757 O5* C 0 358 216.829 -12.370 120.362 1.00737.35 O ATOM 6758 C5* C 0 358 216.549 -11.049 120.823 1.00737.35 C ATOM 6759 C4* C 0 358 216.571 -10.070 119.671 1.00737.35 C ATOM 6760 O4* C 0 358 217.841 -10.189 118.976 1.00737.35 O ATOM 6761 C3* C 0 358 215.528 -10.290 118.586 1.00737.35 C ATOM 6762 O3* C 0 358 214.294 -9.662 118.931 1.00737.35 O ATOM 6763 C2* C 0 358 216.174 -9.624 117.379 1.00737.35 C ATOM 6764 O2* C 0 358 216.035 -8.217 117.385 1.00737.35 O ATOM 6765 C1* C 0 358 217.645 -9.994 117.583 1.00737.35 C ATOM 6766 N1 C 0 358 218.043 -11.226 116.866 1.00737.35 N ATOM 6767 C2 C 0 358 218.335 -11.150 115.492 1.00737.35 C ATOM 6768 O2 C 0 358 218.253 -10.052 114.916 1.00737.35 O ATOM 6769 N3 C 0 358 218.699 -12.272 114.832 1.00737.35 N ATOM 6770 C4 C 0 358 218.777 -13.435 115.484 1.00737.35 C ATOM 6771 N4 C 0 358 219.139 -14.517 114.791 1.00737.35 N ATOM 6772 C5 C 0 358 218.488 -13.542 116.876 1.00737.35 C ATOM 6773 C6 C 0 358 218.129 -12.425 117.522 1.00737.35 C ATOM 6774 P G 0 359 212.940 -10.079 118.168 1.00737.35 P ATOM 6775 O1P G 0 359 211.963 -10.489 119.207 1.00737.35 O ATOM 6776 O2P G 0 359 213.269 -11.018 117.063 1.00737.35 O ATOM 6777 O5* G 0 359 212.436 -8.715 117.515 1.00737.35 O ATOM 6778 C5* G 0 359 211.752 -7.733 118.294 1.00737.35 C ATOM 6779 C4* G 0 359 211.471 -6.502 117.459 1.00737.35 C ATOM 6780 O4* G 0 359 212.721 -5.854 117.111 1.00737.35 O ATOM 6781 C3* G 0 359 210.788 -6.747 116.124 1.00737.35 C ATOM 6782 O3* G 0 359 209.375 -6.832 116.288 1.00737.35 O ATOM 6783 C2* G 0 359 211.187 -5.515 115.316 1.00737.35 C ATOM 6784 O2* G 0 359 210.373 -4.389 115.576 1.00737.35 O ATOM 6785 C1* G 0 359 212.606 -5.253 115.831 1.00737.35 C ATOM 6786 N9 G 0 359 213.667 -5.774 114.972 1.00737.35 N ATOM 6787 C8 G 0 359 214.470 -6.864 115.209 1.00737.35 C ATOM 6788 N7 G 0 359 215.344 -7.075 114.263 1.00737.35 N ATOM 6789 C5 G 0 359 215.102 -6.066 113.342 1.00737.35 C ATOM 6790 C6 G 0 359 215.742 -5.776 112.107 1.00737.35 C ATOM 6791 O6 G 0 359 216.684 -6.371 111.567 1.00737.35 O ATOM 6792 N1 G 0 359 215.179 -4.664 111.490 1.00737.35 N ATOM 6793 C2 G 0 359 214.137 -3.922 111.992 1.00737.35 C ATOM 6794 N2 G 0 359 213.730 -2.886 111.241 1.00737.35 N ATOM 6795 N3 G 0 359 213.537 -4.178 113.143 1.00737.35 N ATOM 6796 C4 G 0 359 214.068 -5.256 113.760 1.00737.35 C ATOM 6797 P A 0 360 208.520 -7.813 115.342 1.00737.35 P ATOM 6798 O1P A 0 360 207.098 -7.685 115.752 1.00737.35 O ATOM 6799 O2P A 0 360 209.166 -9.151 115.345 1.00737.35 O ATOM 6800 O5* A 0 360 208.672 -7.175 113.889 1.00737.35 O ATOM 6801 C5* A 0 360 208.541 -7.979 112.720 1.00737.35 C ATOM 6802 C4* A 0 360 208.523 -7.108 111.483 1.00737.35 C ATOM 6803 O4* A 0 360 209.678 -6.227 111.492 1.00737.35 O ATOM 6804 C3* A 0 360 208.625 -7.867 110.172 1.00737.35 C ATOM 6805 O3* A 0 360 207.335 -8.296 109.740 1.00737.35 O ATOM 6806 C2* A 0 360 209.231 -6.829 109.233 1.00737.35 C ATOM 6807 O2* A 0 360 208.279 -5.921 108.719 1.00737.35 O ATOM 6808 C1* A 0 360 210.188 -6.093 110.175 1.00737.35 C ATOM 6809 N9 A 0 360 211.564 -6.599 110.163 1.00737.35 N ATOM 6810 C8 A 0 360 212.225 -7.237 111.187 1.00737.35 C ATOM 6811 N7 A 0 360 213.460 -7.562 110.899 1.00737.35 N ATOM 6812 C5 A 0 360 213.626 -7.116 109.597 1.00737.35 C ATOM 6813 C6 A 0 360 214.724 -7.156 108.721 1.00737.35 C ATOM 6814 N6 A 0 360 215.906 -7.678 109.051 1.00737.35 N ATOM 6815 N1 A 0 360 214.567 -6.634 107.484 1.00737.35 N ATOM 6816 C2 A 0 360 213.381 -6.096 107.167 1.00737.35 C ATOM 6817 N3 A 0 360 212.276 -5.989 107.906 1.00737.35 N ATOM 6818 C4 A 0 360 212.465 -6.525 109.128 1.00737.35 C ATOM 6819 P G 0 361 207.189 -9.621 108.842 1.00737.35 P ATOM 6820 O1P G 0 361 205.739 -9.849 108.627 1.00737.35 O ATOM 6821 O2P G 0 361 208.018 -10.695 109.449 1.00737.35 O ATOM 6822 O5* G 0 361 207.845 -9.214 107.449 1.00737.35 O ATOM 6823 C5* G 0 361 207.291 -8.164 106.656 1.00737.35 C ATOM 6824 C4* G 0 361 208.163 -7.900 105.451 1.00737.35 C ATOM 6825 O4* G 0 361 209.467 -7.439 105.895 1.00737.35 O ATOM 6826 C3* G 0 361 208.465 -9.116 104.587 1.00737.35 C ATOM 6827 O3* G 0 361 207.421 -9.346 103.645 1.00737.35 O ATOM 6828 C2* G 0 361 209.774 -8.720 103.917 1.00737.35 C ATOM 6829 O2* G 0 361 209.596 -7.856 102.813 1.00737.35 O ATOM 6830 C1* G 0 361 210.477 -7.975 105.054 1.00737.35 C ATOM 6831 N9 G 0 361 211.345 -8.829 105.862 1.00737.35 N ATOM 6832 C8 G 0 361 211.110 -9.279 107.141 1.00737.35 C ATOM 6833 N7 G 0 361 212.072 -10.033 107.605 1.00737.35 N ATOM 6834 C5 G 0 361 212.996 -10.086 106.571 1.00737.35 C ATOM 6835 C6 G 0 361 214.245 -10.755 106.488 1.00737.35 C ATOM 6836 O6 G 0 361 214.801 -11.457 107.341 1.00737.35 O ATOM 6837 N1 G 0 361 214.857 -10.543 105.259 1.00737.35 N ATOM 6838 C2 G 0 361 214.338 -9.788 104.236 1.00737.35 C ATOM 6839 N2 G 0 361 215.082 -9.704 103.125 1.00737.35 N ATOM 6840 N3 G 0 361 213.177 -9.157 104.301 1.00737.35 N ATOM 6841 C4 G 0 361 212.564 -9.348 105.487 1.00737.35 C ATOM 6842 P C 0 362 207.145 -10.837 103.105 1.00737.35 P ATOM 6843 O1P C 0 362 205.718 -10.894 102.701 1.00737.35 O ATOM 6844 O2P C 0 362 207.661 -11.812 104.101 1.00737.35 O ATOM 6845 O5* C 0 362 208.051 -10.944 101.797 1.00737.35 O ATOM 6846 C5* C 0 362 207.541 -10.566 100.520 1.00737.35 C ATOM 6847 C4* C 0 362 208.295 -11.279 99.421 1.00737.35 C ATOM 6848 O4* C 0 362 209.657 -10.781 99.358 1.00737.35 O ATOM 6849 C3* C 0 362 208.457 -12.780 99.602 1.00737.35 C ATOM 6850 O3* C 0 362 207.302 -13.491 99.172 1.00737.35 O ATOM 6851 C2* C 0 362 209.671 -13.078 98.731 1.00737.35 C ATOM 6852 O2* C 0 362 209.355 -13.188 97.357 1.00737.35 O ATOM 6853 C1* C 0 362 210.531 -11.833 98.972 1.00737.35 C ATOM 6854 N1 C 0 362 211.547 -12.022 100.028 1.00737.35 N ATOM 6855 C2 C 0 362 212.806 -12.536 99.674 1.00737.35 C ATOM 6856 O2 C 0 362 213.037 -12.807 98.483 1.00737.35 O ATOM 6857 N3 C 0 362 213.737 -12.722 100.638 1.00737.35 N ATOM 6858 C4 C 0 362 213.457 -12.417 101.906 1.00737.35 C ATOM 6859 N4 C 0 362 214.406 -12.622 102.822 1.00737.35 N ATOM 6860 C5 C 0 362 212.189 -11.892 102.293 1.00737.35 C ATOM 6861 C6 C 0 362 211.274 -11.711 101.334 1.00737.35 C ATOM 6862 P G 0 363 206.427 -14.312 100.244 1.00737.35 P ATOM 6863 O1P G 0 363 205.862 -15.493 99.543 1.00737.35 O ATOM 6864 O2P G 0 363 205.513 -13.354 100.918 1.00737.35 O ATOM 6865 O5* G 0 363 207.493 -14.818 101.318 1.00737.35 O ATOM 6866 C5* G 0 363 208.270 -15.992 101.090 1.00737.35 C ATOM 6867 C4* G 0 363 209.744 -15.656 101.096 1.00737.35 C ATOM 6868 O4* G 0 363 210.080 -14.956 102.323 1.00737.35 O ATOM 6869 C3* G 0 363 210.685 -16.848 101.076 1.00737.35 C ATOM 6870 O3* G 0 363 210.888 -17.307 99.743 1.00737.35 O ATOM 6871 C2* G 0 363 211.962 -16.269 101.676 1.00737.35 C ATOM 6872 O2* G 0 363 212.747 -15.565 100.732 1.00737.35 O ATOM 6873 C1* G 0 363 211.402 -15.291 102.713 1.00737.35 C ATOM 6874 N9 G 0 363 211.375 -15.809 104.080 1.00737.35 N ATOM 6875 C8 G 0 363 210.271 -16.176 104.811 1.00737.35 C ATOM 6876 N7 G 0 363 210.564 -16.587 106.013 1.00737.35 N ATOM 6877 C5 G 0 363 211.947 -16.491 106.084 1.00737.35 C ATOM 6878 C6 G 0 363 212.839 -16.798 107.148 1.00737.35 C ATOM 6879 O6 G 0 363 212.574 -17.221 108.280 1.00737.35 O ATOM 6880 N1 G 0 363 214.162 -16.558 106.787 1.00737.35 N ATOM 6881 C2 G 0 363 214.576 -16.084 105.566 1.00737.35 C ATOM 6882 N2 G 0 363 215.900 -15.925 105.413 1.00737.35 N ATOM 6883 N3 G 0 363 213.756 -15.791 104.571 1.00737.35 N ATOM 6884 C4 G 0 363 212.466 -16.016 104.897 1.00737.35 C ATOM 6885 P G 0 364 210.855 -18.882 99.428 1.00737.35 P ATOM 6886 O1P G 0 364 211.132 -19.047 97.978 1.00737.35 O ATOM 6887 O2P G 0 364 209.609 -19.449 100.006 1.00737.35 O ATOM 6888 O5* G 0 364 212.104 -19.461 100.233 1.00737.35 O ATOM 6889 C5* G 0 364 212.098 -20.795 100.736 1.00737.35 C ATOM 6890 C4* G 0 364 213.484 -21.195 101.184 1.00737.35 C ATOM 6891 O4* G 0 364 213.999 -20.200 102.106 1.00737.35 O ATOM 6892 C3* G 0 364 213.560 -22.506 101.948 1.00737.35 C ATOM 6893 O3* G 0 364 213.647 -23.614 101.056 1.00737.35 O ATOM 6894 C2* G 0 364 214.829 -22.326 102.773 1.00737.35 C ATOM 6895 O2* G 0 364 216.010 -22.587 102.042 1.00737.35 O ATOM 6896 C1* G 0 364 214.752 -20.839 103.125 1.00737.35 C ATOM 6897 N9 G 0 364 214.109 -20.573 104.409 1.00737.35 N ATOM 6898 C8 G 0 364 212.791 -20.248 104.625 1.00737.35 C ATOM 6899 N7 G 0 364 212.507 -20.061 105.885 1.00737.35 N ATOM 6900 C5 G 0 364 213.710 -20.274 106.543 1.00737.35 C ATOM 6901 C6 G 0 364 214.023 -20.213 107.925 1.00737.35 C ATOM 6902 O6 G 0 364 213.277 -19.945 108.874 1.00737.35 O ATOM 6903 N1 G 0 364 215.365 -20.501 108.158 1.00737.35 N ATOM 6904 C2 G 0 364 216.287 -20.810 107.188 1.00737.35 C ATOM 6905 N2 G 0 364 217.532 -21.060 107.614 1.00737.35 N ATOM 6906 N3 G 0 364 216.008 -20.870 105.895 1.00737.35 N ATOM 6907 C4 G 0 364 214.709 -20.593 105.646 1.00737.35 C ATOM 6908 P U 0 365 212.901 -24.991 101.419 1.00737.35 P ATOM 6909 O1P U 0 365 212.944 -25.845 100.203 1.00737.35 O ATOM 6910 O2P U 0 365 211.589 -24.670 102.038 1.00737.35 O ATOM 6911 O5* U 0 365 213.827 -25.653 102.534 1.00737.35 O ATOM 6912 C5* U 0 365 215.043 -26.313 102.181 1.00737.35 C ATOM 6913 C4* U 0 365 215.711 -26.877 103.414 1.00737.35 C ATOM 6914 O4* U 0 365 216.110 -25.787 104.287 1.00737.35 O ATOM 6915 C3* U 0 365 214.844 -27.768 104.291 1.00737.35 C ATOM 6916 O3* U 0 365 214.827 -29.108 103.807 1.00737.35 O ATOM 6917 C2* U 0 365 215.533 -27.654 105.645 1.00737.35 C ATOM 6918 O2* U 0 365 216.670 -28.487 105.764 1.00737.35 O ATOM 6919 C1* U 0 365 215.966 -26.185 105.643 1.00737.35 C ATOM 6920 N1 U 0 365 214.995 -25.288 106.295 1.00737.35 N ATOM 6921 C2 U 0 365 215.111 -25.091 107.664 1.00737.35 C ATOM 6922 O2 U 0 365 215.976 -25.622 108.345 1.00737.35 O ATOM 6923 N3 U 0 365 214.172 -24.250 108.209 1.00737.35 N ATOM 6924 C4 U 0 365 213.154 -23.596 107.547 1.00737.35 C ATOM 6925 O4 U 0 365 212.386 -22.871 108.180 1.00737.35 O ATOM 6926 C5 U 0 365 213.102 -23.845 106.139 1.00737.35 C ATOM 6927 C6 U 0 365 213.998 -24.661 105.574 1.00737.35 C ATOM 6928 P U 0 366 213.575 -30.060 104.144 1.00737.35 P ATOM 6929 O1P U 0 366 213.749 -31.307 103.354 1.00737.35 O ATOM 6930 O2P U 0 366 212.324 -29.270 104.001 1.00737.35 O ATOM 6931 O5* U 0 366 213.766 -30.414 105.687 1.00737.35 O ATOM 6932 C5* U 0 366 214.865 -31.212 106.125 1.00737.35 C ATOM 6933 C4* U 0 366 214.948 -31.212 107.635 1.00737.35 C ATOM 6934 O4* U 0 366 215.189 -29.859 108.101 1.00737.35 O ATOM 6935 C3* U 0 366 213.692 -31.646 108.375 1.00737.35 C ATOM 6936 O3* U 0 366 213.619 -33.066 108.476 1.00737.35 O ATOM 6937 C2* U 0 366 213.880 -30.987 109.736 1.00737.35 C ATOM 6938 O2* U 0 366 214.748 -31.706 110.590 1.00737.35 O ATOM 6939 C1* U 0 366 214.526 -29.655 109.340 1.00737.35 C ATOM 6940 N1 U 0 366 213.555 -28.556 109.182 1.00737.35 N ATOM 6941 C2 U 0 366 213.229 -27.813 110.310 1.00737.35 C ATOM 6942 O2 U 0 366 213.710 -28.025 111.412 1.00737.35 O ATOM 6943 N3 U 0 366 212.318 -26.808 110.094 1.00737.35 N ATOM 6944 C4 U 0 366 211.711 -26.475 108.902 1.00737.35 C ATOM 6945 O4 U 0 366 210.910 -25.539 108.870 1.00737.35 O ATOM 6946 C5 U 0 366 212.097 -27.285 107.788 1.00737.35 C ATOM 6947 C6 U 0 366 212.981 -28.271 107.960 1.00737.35 C ATOM 6948 P G 0 367 212.192 -33.780 108.676 1.00737.35 P ATOM 6949 O1P G 0 367 212.417 -35.244 108.593 1.00737.35 O ATOM 6950 O2P G 0 367 211.208 -33.136 107.766 1.00737.35 O ATOM 6951 O5* G 0 367 211.787 -33.423 110.176 1.00737.35 O ATOM 6952 C5* G 0 367 212.539 -33.932 111.278 1.00737.35 C ATOM 6953 C4* G 0 367 212.103 -33.268 112.565 1.00737.35 C ATOM 6954 O4* G 0 367 212.354 -31.838 112.474 1.00737.35 O ATOM 6955 C3* G 0 367 210.620 -33.363 112.894 1.00737.35 C ATOM 6956 O3* G 0 367 210.303 -34.591 113.548 1.00737.35 O ATOM 6957 C2* G 0 367 210.423 -32.166 113.815 1.00737.35 C ATOM 6958 O2* G 0 367 210.850 -32.409 115.144 1.00737.35 O ATOM 6959 C1* G 0 367 211.334 -31.126 113.159 1.00737.35 C ATOM 6960 N9 G 0 367 210.634 -30.272 112.201 1.00737.35 N ATOM 6961 C8 G 0 367 210.794 -30.250 110.833 1.00737.35 C ATOM 6962 N7 G 0 367 210.026 -29.376 110.242 1.00737.35 N ATOM 6963 C5 G 0 367 209.316 -28.785 111.276 1.00737.35 C ATOM 6964 C6 G 0 367 208.330 -27.761 111.247 1.00737.35 C ATOM 6965 O6 G 0 367 207.877 -27.155 110.270 1.00737.35 O ATOM 6966 N1 G 0 367 207.868 -27.464 112.526 1.00737.35 N ATOM 6967 C2 G 0 367 208.295 -28.067 113.682 1.00737.35 C ATOM 6968 N2 G 0 367 207.724 -27.639 114.818 1.00737.35 N ATOM 6969 N3 G 0 367 209.216 -29.019 113.723 1.00737.35 N ATOM 6970 C4 G 0 367 209.678 -29.324 112.492 1.00737.35 C ATOM 6971 P A 0 368 209.011 -35.437 113.085 1.00737.35 P ATOM 6972 O1P A 0 368 209.071 -36.740 113.795 1.00737.35 O ATOM 6973 O2P A 0 368 208.935 -35.415 111.601 1.00737.35 O ATOM 6974 O5* A 0 368 207.763 -34.628 113.664 1.00737.35 O ATOM 6975 C5* A 0 368 207.540 -33.268 113.299 1.00737.35 C ATOM 6976 C4* A 0 368 206.365 -32.700 114.058 1.00737.35 C ATOM 6977 O4* A 0 368 206.360 -31.256 113.902 1.00737.35 O ATOM 6978 C3* A 0 368 204.993 -33.152 113.579 1.00737.35 C ATOM 6979 O3* A 0 368 204.599 -34.374 114.196 1.00737.35 O ATOM 6980 C2* A 0 368 204.104 -31.988 114.000 1.00737.35 C ATOM 6981 O2* A 0 368 203.744 -32.027 115.369 1.00737.35 O ATOM 6982 C1* A 0 368 205.028 -30.795 113.740 1.00737.35 C ATOM 6983 N9 A 0 368 204.898 -30.244 112.391 1.00737.35 N ATOM 6984 C8 A 0 368 205.584 -30.619 111.260 1.00737.35 C ATOM 6985 N7 A 0 368 205.249 -29.940 110.189 1.00737.35 N ATOM 6986 C5 A 0 368 204.277 -29.060 110.643 1.00737.35 C ATOM 6987 C6 A 0 368 203.521 -28.075 109.991 1.00737.35 C ATOM 6988 N6 A 0 368 203.627 -27.802 108.687 1.00737.35 N ATOM 6989 N1 A 0 368 202.636 -27.369 110.728 1.00737.35 N ATOM 6990 C2 A 0 368 202.529 -27.647 112.036 1.00737.35 C ATOM 6991 N3 A 0 368 203.182 -28.551 112.762 1.00737.35 N ATOM 6992 C4 A 0 368 204.051 -29.234 111.999 1.00737.35 C ATOM 6993 P C 0 369 203.629 -35.392 113.410 1.00737.35 P ATOM 6994 O1P C 0 369 203.351 -36.528 114.323 1.00737.35 O ATOM 6995 O2P C 0 369 204.214 -35.655 112.070 1.00737.35 O ATOM 6996 O5* C 0 369 202.279 -34.568 113.211 1.00737.35 O ATOM 6997 C5* C 0 369 201.482 -34.180 114.329 1.00737.35 C ATOM 6998 C4* C 0 369 200.486 -33.119 113.924 1.00737.35 C ATOM 6999 O4* C 0 369 201.204 -31.958 113.421 1.00737.35 O ATOM 7000 C3* C 0 369 199.533 -33.483 112.794 1.00737.35 C ATOM 7001 O3* C 0 369 198.397 -34.191 113.282 1.00737.35 O ATOM 7002 C2* C 0 369 199.147 -32.114 112.248 1.00737.35 C ATOM 7003 O2* C 0 369 198.152 -31.468 113.016 1.00737.35 O ATOM 7004 C1* C 0 369 200.470 -31.356 112.365 1.00737.35 C ATOM 7005 N1 C 0 369 201.280 -31.405 111.129 1.00737.35 N ATOM 7006 C2 C 0 369 201.026 -30.467 110.115 1.00737.35 C ATOM 7007 O2 C 0 369 200.133 -29.619 110.282 1.00737.35 O ATOM 7008 N3 C 0 369 201.758 -30.513 108.977 1.00737.35 N ATOM 7009 C4 C 0 369 202.710 -31.436 108.831 1.00737.35 C ATOM 7010 N4 C 0 369 203.406 -31.440 107.692 1.00737.35 N ATOM 7011 C5 C 0 369 202.992 -32.396 109.846 1.00737.35 C ATOM 7012 C6 C 0 369 202.262 -32.345 110.967 1.00737.35 C ATOM 7013 P U 0 370 197.620 -35.220 112.316 1.00737.35 P ATOM 7014 O1P U 0 370 196.431 -35.707 113.059 1.00737.35 O ATOM 7015 O2P U 0 370 198.603 -36.195 111.784 1.00737.35 O ATOM 7016 O5* U 0 370 197.114 -34.312 111.103 1.00737.35 O ATOM 7017 C5* U 0 370 196.176 -33.259 111.316 1.00737.35 C ATOM 7018 C4* U 0 370 196.107 -32.361 110.101 1.00737.35 C ATOM 7019 O4* U 0 370 197.421 -31.788 109.857 1.00737.35 O ATOM 7020 C3* U 0 370 195.745 -33.039 108.789 1.00737.35 C ATOM 7021 O3* U 0 370 194.331 -33.139 108.643 1.00737.35 O ATOM 7022 C2* U 0 370 196.347 -32.093 107.757 1.00737.35 C ATOM 7023 O2* U 0 370 195.536 -30.963 107.498 1.00737.35 O ATOM 7024 C1* U 0 370 197.634 -31.654 108.459 1.00737.35 C ATOM 7025 N1 U 0 370 198.810 -32.456 108.081 1.00737.35 N ATOM 7026 C2 U 0 370 199.534 -32.057 106.964 1.00737.35 C ATOM 7027 O2 U 0 370 199.243 -31.078 106.294 1.00737.35 O ATOM 7028 N3 U 0 370 200.613 -32.850 106.661 1.00737.35 N ATOM 7029 C4 U 0 370 201.039 -33.974 107.339 1.00737.35 C ATOM 7030 O4 U 0 370 202.034 -34.581 106.939 1.00737.35 O ATOM 7031 C5 U 0 370 200.246 -34.321 108.477 1.00737.35 C ATOM 7032 C6 U 0 370 199.187 -33.570 108.800 1.00737.35 C ATOM 7033 P G 0 371 193.701 -34.288 107.708 1.00737.35 P ATOM 7034 O1P G 0 371 192.872 -35.158 108.583 1.00737.35 O ATOM 7035 O2P G 0 371 194.777 -34.895 106.879 1.00737.35 O ATOM 7036 O5* G 0 371 192.722 -33.490 106.735 1.00737.35 O ATOM 7037 C5* G 0 371 191.684 -32.663 107.256 1.00737.35 C ATOM 7038 C4* G 0 371 191.187 -31.712 106.190 1.00737.35 C ATOM 7039 O4* G 0 371 192.271 -30.840 105.782 1.00737.35 O ATOM 7040 C3* G 0 371 190.713 -32.357 104.898 1.00737.35 C ATOM 7041 O3* G 0 371 189.356 -32.774 105.009 1.00737.35 O ATOM 7042 C2* G 0 371 190.878 -31.224 103.891 1.00737.35 C ATOM 7043 O2* G 0 371 189.807 -30.301 103.915 1.00737.35 O ATOM 7044 C1* G 0 371 192.155 -30.550 104.397 1.00737.35 C ATOM 7045 N9 G 0 371 193.370 -31.007 103.725 1.00737.35 N ATOM 7046 C8 G 0 371 194.027 -32.200 103.916 1.00737.35 C ATOM 7047 N7 G 0 371 195.087 -32.325 103.164 1.00737.35 N ATOM 7048 C5 G 0 371 195.136 -31.145 102.436 1.00737.35 C ATOM 7049 C6 G 0 371 196.066 -30.706 101.456 1.00737.35 C ATOM 7050 O6 G 0 371 197.065 -31.295 101.026 1.00737.35 O ATOM 7051 N1 G 0 371 195.739 -29.445 100.971 1.00737.35 N ATOM 7052 C2 G 0 371 194.658 -28.698 101.371 1.00737.35 C ATOM 7053 N2 G 0 371 194.514 -27.502 100.783 1.00737.35 N ATOM 7054 N3 G 0 371 193.784 -29.096 102.283 1.00737.35 N ATOM 7055 C4 G 0 371 194.082 -30.321 102.768 1.00737.35 C ATOM 7056 P U 0 372 188.875 -34.133 104.293 1.00737.35 P ATOM 7057 O1P U 0 372 187.422 -34.279 104.563 1.00737.35 O ATOM 7058 O2P U 0 372 189.806 -35.225 104.680 1.00737.35 O ATOM 7059 O5* U 0 372 189.064 -33.840 102.739 1.00737.35 O ATOM 7060 C5* U 0 372 188.536 -34.727 101.756 1.00737.35 C ATOM 7061 C4* U 0 372 188.775 -34.176 100.371 1.00737.35 C ATOM 7062 O4* U 0 372 190.202 -34.010 100.161 1.00737.35 O ATOM 7063 C3* U 0 372 188.327 -35.069 99.226 1.00737.35 C ATOM 7064 O3* U 0 372 186.946 -34.872 98.940 1.00737.35 O ATOM 7065 C2* U 0 372 189.207 -34.587 98.078 1.00737.35 C ATOM 7066 O2* U 0 372 188.717 -33.416 97.456 1.00737.35 O ATOM 7067 C1* U 0 372 190.518 -34.279 98.805 1.00737.35 C ATOM 7068 N1 U 0 372 191.496 -35.381 98.752 1.00737.35 N ATOM 7069 C2 U 0 372 192.356 -35.434 97.664 1.00737.35 C ATOM 7070 O2 U 0 372 192.339 -34.615 96.758 1.00737.35 O ATOM 7071 N3 U 0 372 193.238 -36.488 97.673 1.00737.35 N ATOM 7072 C4 U 0 372 193.349 -37.470 98.635 1.00737.35 C ATOM 7073 O4 U 0 372 194.197 -38.354 98.500 1.00737.35 O ATOM 7074 C5 U 0 372 192.431 -37.348 99.725 1.00737.35 C ATOM 7075 C6 U 0 372 191.559 -36.335 99.747 1.00737.35 C ATOM 7076 P A 0 373 186.088 -36.065 98.287 1.00737.35 P ATOM 7077 O1P A 0 373 185.808 -37.053 99.361 1.00737.35 O ATOM 7078 O2P A 0 373 186.771 -36.507 97.044 1.00737.35 O ATOM 7079 O5* A 0 373 184.712 -35.369 97.885 1.00737.35 O ATOM 7080 C5* A 0 373 183.792 -36.014 97.008 1.00737.35 C ATOM 7081 C4* A 0 373 182.872 -34.993 96.375 1.00737.35 C ATOM 7082 O4* A 0 373 183.670 -33.972 95.718 1.00737.35 O ATOM 7083 C3* A 0 373 181.967 -35.532 95.279 1.00737.35 C ATOM 7084 O3* A 0 373 180.777 -36.089 95.829 1.00737.35 O ATOM 7085 C2* A 0 373 181.679 -34.284 94.455 1.00737.35 C ATOM 7086 O2* A 0 373 180.664 -33.468 95.009 1.00737.35 O ATOM 7087 C1* A 0 373 183.025 -33.554 94.527 1.00737.35 C ATOM 7088 N9 A 0 373 183.909 -33.843 93.396 1.00737.35 N ATOM 7089 C8 A 0 373 184.910 -34.782 93.323 1.00737.35 C ATOM 7090 N7 A 0 373 185.534 -34.803 92.170 1.00737.35 N ATOM 7091 C5 A 0 373 184.902 -33.812 91.432 1.00737.35 C ATOM 7092 C6 A 0 373 185.099 -33.337 90.123 1.00737.35 C ATOM 7093 N6 A 0 373 186.029 -33.817 89.293 1.00737.35 N ATOM 7094 N1 A 0 373 184.299 -32.338 89.690 1.00737.35 N ATOM 7095 C2 A 0 373 183.370 -31.856 90.524 1.00737.35 C ATOM 7096 N3 A 0 373 183.087 -32.217 91.774 1.00737.35 N ATOM 7097 C4 A 0 373 183.900 -33.212 92.174 1.00737.35 C ATOM 7098 P A 0 387 166.870 -20.465 88.378 1.00737.35 P ATOM 7099 O1P A 0 387 167.483 -19.125 88.567 1.00737.35 O ATOM 7100 O2P A 0 387 165.442 -20.674 88.728 1.00737.35 O ATOM 7101 O5* A 0 387 167.086 -20.900 86.862 1.00737.35 O ATOM 7102 C5* A 0 387 166.474 -20.177 85.796 1.00737.35 C ATOM 7103 C4* A 0 387 166.671 -20.905 84.489 1.00737.35 C ATOM 7104 O4* A 0 387 166.129 -22.249 84.603 1.00737.35 O ATOM 7105 C3* A 0 387 165.944 -20.307 83.295 1.00737.35 C ATOM 7106 O3* A 0 387 166.709 -19.267 82.694 1.00737.35 O ATOM 7107 C2* A 0 387 165.803 -21.508 82.366 1.00737.35 C ATOM 7108 O2* A 0 387 166.975 -21.776 81.624 1.00737.35 O ATOM 7109 C1* A 0 387 165.551 -22.639 83.368 1.00737.35 C ATOM 7110 N9 A 0 387 164.127 -22.919 83.586 1.00737.35 N ATOM 7111 C8 A 0 387 163.379 -22.679 84.713 1.00737.35 C ATOM 7112 N7 A 0 387 162.125 -23.043 84.602 1.00737.35 N ATOM 7113 C5 A 0 387 162.041 -23.558 83.315 1.00737.35 C ATOM 7114 C6 A 0 387 160.972 -24.111 82.586 1.00737.35 C ATOM 7115 N6 A 0 387 159.736 -24.243 83.071 1.00737.35 N ATOM 7116 N1 A 0 387 161.222 -24.528 81.327 1.00737.35 N ATOM 7117 C2 A 0 387 162.463 -24.396 80.842 1.00737.35 C ATOM 7118 N3 A 0 387 163.549 -23.895 81.429 1.00737.35 N ATOM 7119 C4 A 0 387 163.265 -23.489 82.679 1.00737.35 C ATOM 7120 P G 0 388 165.976 -17.944 82.150 1.00737.35 P ATOM 7121 O1P G 0 388 166.967 -17.190 81.340 1.00737.35 O ATOM 7122 O2P G 0 388 165.307 -17.279 83.299 1.00737.35 O ATOM 7123 O5* G 0 388 164.846 -18.495 81.168 1.00737.35 O ATOM 7124 C5* G 0 388 165.184 -19.253 80.008 1.00737.35 C ATOM 7125 C4* G 0 388 163.957 -19.949 79.462 1.00737.35 C ATOM 7126 O4* G 0 388 163.439 -20.857 80.468 1.00737.35 O ATOM 7127 C3* G 0 388 162.784 -19.040 79.128 1.00737.35 C ATOM 7128 O3* G 0 388 162.913 -18.504 77.815 1.00737.35 O ATOM 7129 C2* G 0 388 161.598 -19.992 79.239 1.00737.35 C ATOM 7130 O2* G 0 388 161.423 -20.800 78.091 1.00737.35 O ATOM 7131 C1* G 0 388 162.020 -20.862 80.424 1.00737.35 C ATOM 7132 N9 G 0 388 161.516 -20.377 81.709 1.00737.35 N ATOM 7133 C8 G 0 388 162.177 -19.580 82.615 1.00737.35 C ATOM 7134 N7 G 0 388 161.466 -19.308 83.674 1.00737.35 N ATOM 7135 C5 G 0 388 160.262 -19.964 83.458 1.00737.35 C ATOM 7136 C6 G 0 388 159.097 -20.034 84.265 1.00737.35 C ATOM 7137 O6 G 0 388 158.889 -19.515 85.367 1.00737.35 O ATOM 7138 N1 G 0 388 158.106 -20.804 83.666 1.00737.35 N ATOM 7139 C2 G 0 388 158.220 -21.430 82.448 1.00737.35 C ATOM 7140 N2 G 0 388 157.150 -22.130 82.042 1.00737.35 N ATOM 7141 N3 G 0 388 159.300 -21.373 81.686 1.00737.35 N ATOM 7142 C4 G 0 388 160.276 -20.628 82.249 1.00737.35 C ATOM 7143 P G 0 389 162.272 -17.068 77.477 1.00737.35 P ATOM 7144 O1P G 0 389 162.519 -16.803 76.036 1.00737.35 O ATOM 7145 O2P G 0 389 162.746 -16.090 78.492 1.00737.35 O ATOM 7146 O5* G 0 389 160.709 -17.283 77.686 1.00737.35 O ATOM 7147 C5* G 0 389 159.960 -18.126 76.810 1.00737.35 C ATOM 7148 C4* G 0 389 158.523 -18.218 77.269 1.00737.35 C ATOM 7149 O4* G 0 389 158.466 -18.879 78.561 1.00737.35 O ATOM 7150 C3* G 0 389 157.815 -16.893 77.495 1.00737.35 C ATOM 7151 O3* G 0 389 157.294 -16.381 76.271 1.00737.35 O ATOM 7152 C2* G 0 389 156.713 -17.274 78.474 1.00737.35 C ATOM 7153 O2* G 0 389 155.587 -17.855 77.844 1.00737.35 O ATOM 7154 C1* G 0 389 157.419 -18.321 79.338 1.00737.35 C ATOM 7155 N9 G 0 389 157.988 -17.786 80.573 1.00737.35 N ATOM 7156 C8 G 0 389 159.316 -17.536 80.839 1.00737.35 C ATOM 7157 N7 G 0 389 159.521 -17.066 82.039 1.00737.35 N ATOM 7158 C5 G 0 389 158.255 -16.999 82.603 1.00737.35 C ATOM 7159 C6 G 0 389 157.842 -16.567 83.891 1.00737.35 C ATOM 7160 O6 G 0 389 158.543 -16.149 84.824 1.00737.35 O ATOM 7161 N1 G 0 389 156.465 -16.659 84.045 1.00737.35 N ATOM 7162 C2 G 0 389 155.589 -17.108 83.087 1.00737.35 C ATOM 7163 N2 G 0 389 154.290 -17.118 83.429 1.00737.35 N ATOM 7164 N3 G 0 389 155.959 -17.517 81.885 1.00737.35 N ATOM 7165 C4 G 0 389 157.297 -17.435 81.711 1.00737.35 C ATOM 7166 P U 0 390 157.173 -14.792 76.057 1.00737.35 P ATOM 7167 O1P U 0 390 156.793 -14.569 74.638 1.00737.35 O ATOM 7168 O2P U 0 390 158.397 -14.146 76.598 1.00737.35 O ATOM 7169 O5* U 0 390 155.941 -14.374 76.978 1.00737.35 O ATOM 7170 C5* U 0 390 154.600 -14.651 76.582 1.00737.35 C ATOM 7171 C4* U 0 390 153.626 -14.027 77.555 1.00737.35 C ATOM 7172 O4* U 0 390 153.748 -14.677 78.847 1.00737.35 O ATOM 7173 C3* U 0 390 153.845 -12.552 77.852 1.00737.35 C ATOM 7174 O3* U 0 390 153.233 -11.734 76.861 1.00737.35 O ATOM 7175 C2* U 0 390 153.183 -12.395 79.217 1.00737.35 C ATOM 7176 O2* U 0 390 151.779 -12.247 79.141 1.00737.35 O ATOM 7177 C1* U 0 390 153.532 -13.729 79.881 1.00737.35 C ATOM 7178 N1 U 0 390 154.732 -13.677 80.735 1.00737.35 N ATOM 7179 C2 U 0 390 154.569 -13.293 82.058 1.00737.35 C ATOM 7180 O2 U 0 390 153.486 -12.994 82.539 1.00737.35 O ATOM 7181 N3 U 0 390 155.726 -13.269 82.800 1.00737.35 N ATOM 7182 C4 U 0 390 156.999 -13.581 82.368 1.00737.35 C ATOM 7183 O4 U 0 390 157.941 -13.514 83.161 1.00737.35 O ATOM 7184 C5 U 0 390 157.085 -13.966 80.993 1.00737.35 C ATOM 7185 C6 U 0 390 155.980 -14.001 80.243 1.00737.35 C ATOM 7186 P C 0 391 153.871 -10.302 76.503 1.00737.35 P ATOM 7187 O1P C 0 391 153.097 -9.750 75.362 1.00737.35 O ATOM 7188 O2P C 0 391 155.343 -10.456 76.382 1.00737.35 O ATOM 7189 O5* C 0 391 153.567 -9.415 77.792 1.00737.35 O ATOM 7190 C5* C 0 391 152.245 -8.957 78.071 1.00737.35 C ATOM 7191 C4* C 0 391 152.222 -8.161 79.357 1.00737.35 C ATOM 7192 O4* C 0 391 152.547 -9.031 80.474 1.00737.35 O ATOM 7193 C3* C 0 391 153.236 -7.031 79.457 1.00737.35 C ATOM 7194 O3* C 0 391 152.752 -5.854 78.816 1.00737.35 O ATOM 7195 C2* C 0 391 153.371 -6.851 80.964 1.00737.35 C ATOM 7196 O2* C 0 391 152.330 -6.077 81.527 1.00737.35 O ATOM 7197 C1* C 0 391 153.264 -8.298 81.455 1.00737.35 C ATOM 7198 N1 C 0 391 154.573 -8.948 81.676 1.00737.35 N ATOM 7199 C2 C 0 391 155.235 -8.742 82.899 1.00737.35 C ATOM 7200 O2 C 0 391 154.706 -8.019 83.762 1.00737.35 O ATOM 7201 N3 C 0 391 156.435 -9.332 83.107 1.00737.35 N ATOM 7202 C4 C 0 391 156.976 -10.099 82.159 1.00737.35 C ATOM 7203 N4 C 0 391 158.162 -10.658 82.412 1.00737.35 N ATOM 7204 C5 C 0 391 156.329 -10.326 80.910 1.00737.35 C ATOM 7205 C6 C 0 391 155.141 -9.738 80.712 1.00737.35 C ATOM 7206 P G 0 392 153.796 -4.803 78.188 1.00737.35 P ATOM 7207 O1P G 0 392 153.006 -3.759 77.488 1.00737.35 O ATOM 7208 O2P G 0 392 154.835 -5.558 77.441 1.00737.35 O ATOM 7209 O5* G 0 392 154.485 -4.137 79.463 1.00737.35 O ATOM 7210 C5* G 0 392 153.740 -3.301 80.345 1.00737.35 C ATOM 7211 C4* G 0 392 154.531 -3.024 81.603 1.00737.35 C ATOM 7212 O4* G 0 392 154.759 -4.271 82.312 1.00737.35 O ATOM 7213 C3* G 0 392 155.924 -2.450 81.399 1.00737.35 C ATOM 7214 O3* G 0 392 155.885 -1.037 81.229 1.00737.35 O ATOM 7215 C2* G 0 392 156.626 -2.847 82.692 1.00737.35 C ATOM 7216 O2* G 0 392 156.328 -1.990 83.776 1.00737.35 O ATOM 7217 C1* G 0 392 156.029 -4.233 82.947 1.00737.35 C ATOM 7218 N9 G 0 392 156.851 -5.318 82.414 1.00737.35 N ATOM 7219 C8 G 0 392 156.690 -5.976 81.216 1.00737.35 C ATOM 7220 N7 G 0 392 157.588 -6.900 81.015 1.00737.35 N ATOM 7221 C5 G 0 392 158.391 -6.853 82.147 1.00737.35 C ATOM 7222 C6 G 0 392 159.531 -7.621 82.498 1.00737.35 C ATOM 7223 O6 G 0 392 160.078 -8.527 81.859 1.00737.35 O ATOM 7224 N1 G 0 392 160.041 -7.244 83.736 1.00737.35 N ATOM 7225 C2 G 0 392 159.522 -6.255 84.536 1.00737.35 C ATOM 7226 N2 G 0 392 160.157 -6.041 85.697 1.00737.35 N ATOM 7227 N3 G 0 392 158.460 -5.532 84.221 1.00737.35 N ATOM 7228 C4 G 0 392 157.949 -5.882 83.020 1.00737.35 C ATOM 7229 P U 0 393 157.101 -0.290 80.485 1.00737.35 P ATOM 7230 O1P U 0 393 156.844 1.170 80.570 1.00737.35 O ATOM 7231 O2P U 0 393 157.297 -0.926 79.157 1.00737.35 O ATOM 7232 O5* U 0 393 158.366 -0.624 81.396 1.00737.35 O ATOM 7233 C5* U 0 393 159.689 -0.328 80.955 1.00737.35 C ATOM 7234 C4* U 0 393 160.682 -0.631 82.055 1.00737.35 C ATOM 7235 O4* U 0 393 160.548 -2.020 82.456 1.00737.35 O ATOM 7236 C3* U 0 393 162.147 -0.493 81.672 1.00737.35 C ATOM 7237 O3* U 0 393 162.576 0.861 81.785 1.00737.35 O ATOM 7238 C2* U 0 393 162.832 -1.397 82.687 1.00737.35 C ATOM 7239 O2* U 0 393 163.019 -0.781 83.947 1.00737.35 O ATOM 7240 C1* U 0 393 161.820 -2.540 82.814 1.00737.35 C ATOM 7241 N1 U 0 393 162.118 -3.699 81.957 1.00737.35 N ATOM 7242 C2 U 0 393 162.963 -4.680 82.463 1.00737.35 C ATOM 7243 O2 U 0 393 163.463 -4.621 83.576 1.00737.35 O ATOM 7244 N3 U 0 393 163.199 -5.735 81.617 1.00737.35 N ATOM 7245 C4 U 0 393 162.695 -5.911 80.345 1.00737.35 C ATOM 7246 O4 U 0 393 162.998 -6.921 79.707 1.00737.35 O ATOM 7247 C5 U 0 393 161.835 -4.860 79.891 1.00737.35 C ATOM 7248 C6 U 0 393 161.584 -3.817 80.692 1.00737.35 C ATOM 7249 P U 0 394 163.819 1.383 80.909 1.00737.35 P ATOM 7250 O1P U 0 394 163.885 2.860 81.075 1.00737.35 O ATOM 7251 O2P U 0 394 163.714 0.805 79.545 1.00737.35 O ATOM 7252 O5* U 0 394 165.090 0.744 81.627 1.00737.35 O ATOM 7253 C5* U 0 394 165.480 1.159 82.935 1.00737.35 C ATOM 7254 C4* U 0 394 166.538 0.234 83.490 1.00737.35 C ATOM 7255 O4* U 0 394 165.985 -1.106 83.610 1.00737.35 O ATOM 7256 C3* U 0 394 167.782 0.050 82.635 1.00737.35 C ATOM 7257 O3* U 0 394 168.723 1.093 82.863 1.00737.35 O ATOM 7258 C2* U 0 394 168.299 -1.302 83.112 1.00737.35 C ATOM 7259 O2* U 0 394 169.024 -1.222 84.326 1.00737.35 O ATOM 7260 C1* U 0 394 166.994 -2.065 83.335 1.00737.35 C ATOM 7261 N1 U 0 394 166.579 -2.864 82.170 1.00737.35 N ATOM 7262 C2 U 0 394 167.022 -4.178 82.094 1.00737.35 C ATOM 7263 O2 U 0 394 167.728 -4.695 82.946 1.00737.35 O ATOM 7264 N3 U 0 394 166.606 -4.866 80.980 1.00737.35 N ATOM 7265 C4 U 0 394 165.810 -4.392 79.957 1.00737.35 C ATOM 7266 O4 U 0 394 165.525 -5.134 79.017 1.00737.35 O ATOM 7267 C5 U 0 394 165.391 -3.031 80.108 1.00737.35 C ATOM 7268 C6 U 0 394 165.779 -2.334 81.178 1.00737.35 C ATOM 7269 P G 0 395 169.733 1.529 81.688 1.00737.35 P ATOM 7270 O1P G 0 395 170.457 2.738 82.159 1.00737.35 O ATOM 7271 O2P G 0 395 168.977 1.581 80.410 1.00737.35 O ATOM 7272 O5* G 0 395 170.771 0.322 81.601 1.00737.35 O ATOM 7273 C5* G 0 395 171.762 0.132 82.608 1.00737.35 C ATOM 7274 C4* G 0 395 172.536 -1.143 82.355 1.00737.35 C ATOM 7275 O4* G 0 395 171.638 -2.279 82.453 1.00737.35 O ATOM 7276 C3* G 0 395 173.169 -1.276 80.979 1.00737.35 C ATOM 7277 O3* G 0 395 174.436 -0.627 80.932 1.00737.35 O ATOM 7278 C2* G 0 395 173.302 -2.787 80.831 1.00737.35 C ATOM 7279 O2* G 0 395 174.433 -3.314 81.496 1.00737.35 O ATOM 7280 C1* G 0 395 172.026 -3.275 81.520 1.00737.35 C ATOM 7281 N9 G 0 395 170.914 -3.512 80.601 1.00737.35 N ATOM 7282 C8 G 0 395 169.789 -2.738 80.438 1.00737.35 C ATOM 7283 N7 G 0 395 168.967 -3.210 79.541 1.00737.35 N ATOM 7284 C5 G 0 395 169.586 -4.363 79.080 1.00737.35 C ATOM 7285 C6 G 0 395 169.169 -5.302 78.101 1.00737.35 C ATOM 7286 O6 G 0 395 168.132 -5.301 77.428 1.00737.35 O ATOM 7287 N1 G 0 395 170.102 -6.320 77.940 1.00737.35 N ATOM 7288 C2 G 0 395 171.283 -6.429 78.633 1.00737.35 C ATOM 7289 N2 G 0 395 172.051 -7.488 78.335 1.00737.35 N ATOM 7290 N3 G 0 395 171.681 -5.564 79.550 1.00737.35 N ATOM 7291 C4 G 0 395 170.791 -4.563 79.723 1.00737.35 C ATOM 7292 P U 0 396 175.031 -0.135 79.523 1.00737.35 P ATOM 7293 O1P U 0 396 176.304 0.581 79.806 1.00737.35 O ATOM 7294 O2P U 0 396 173.954 0.560 78.771 1.00737.35 O ATOM 7295 O5* U 0 396 175.382 -1.487 78.754 1.00737.35 O ATOM 7296 C5* U 0 396 176.394 -2.368 79.242 1.00737.35 C ATOM 7297 C4* U 0 396 176.725 -3.418 78.203 1.00737.35 C ATOM 7298 O4* U 0 396 175.556 -4.239 77.959 1.00737.35 O ATOM 7299 C3* U 0 396 177.110 -2.891 76.830 1.00737.35 C ATOM 7300 O3* U 0 396 178.500 -2.573 76.788 1.00737.35 O ATOM 7301 C2* U 0 396 176.791 -4.077 75.925 1.00737.35 C ATOM 7302 O2* U 0 396 177.819 -5.048 75.899 1.00737.35 O ATOM 7303 C1* U 0 396 175.551 -4.667 76.606 1.00737.35 C ATOM 7304 N1 U 0 396 174.273 -4.278 75.989 1.00737.35 N ATOM 7305 C2 U 0 396 173.731 -5.126 75.032 1.00737.35 C ATOM 7306 O2 U 0 396 174.268 -6.168 74.684 1.00737.35 O ATOM 7307 N3 U 0 396 172.534 -4.708 74.497 1.00737.35 N ATOM 7308 C4 U 0 396 171.846 -3.554 74.807 1.00737.35 C ATOM 7309 O4 U 0 396 170.792 -3.299 74.219 1.00737.35 O ATOM 7310 C5 U 0 396 172.470 -2.730 75.796 1.00737.35 C ATOM 7311 C6 U 0 396 173.630 -3.110 76.340 1.00737.35 C ATOM 7312 P U 0 397 178.972 -1.036 76.774 1.00737.35 P ATOM 7313 O1P U 0 397 180.454 -1.037 76.673 1.00737.35 O ATOM 7314 O2P U 0 397 178.317 -0.330 77.905 1.00737.35 O ATOM 7315 O5* U 0 397 178.387 -0.451 75.413 1.00737.35 O ATOM 7316 C5* U 0 397 178.485 0.942 75.120 1.00737.35 C ATOM 7317 C4* U 0 397 177.703 1.279 73.872 1.00737.35 C ATOM 7318 O4* U 0 397 178.317 0.640 72.723 1.00737.35 O ATOM 7319 C3* U 0 397 176.259 0.800 73.840 1.00737.35 C ATOM 7320 O3* U 0 397 175.412 1.719 74.522 1.00737.35 O ATOM 7321 C2* U 0 397 175.968 0.749 72.344 1.00737.35 C ATOM 7322 O2* U 0 397 175.632 2.010 71.800 1.00737.35 O ATOM 7323 C1* U 0 397 177.316 0.285 71.782 1.00737.35 C ATOM 7324 N1 U 0 397 177.398 -1.162 71.525 1.00737.35 N ATOM 7325 C2 U 0 397 177.010 -1.620 70.274 1.00737.35 C ATOM 7326 O2 U 0 397 176.603 -0.882 69.388 1.00737.35 O ATOM 7327 N3 U 0 397 177.115 -2.977 70.098 1.00737.35 N ATOM 7328 C4 U 0 397 177.557 -3.906 71.019 1.00737.35 C ATOM 7329 O4 U 0 397 177.596 -5.095 70.707 1.00737.35 O ATOM 7330 C5 U 0 397 177.935 -3.357 72.285 1.00737.35 C ATOM 7331 C6 U 0 397 177.845 -2.039 72.490 1.00737.35 C ATOM 7332 P C 0 398 174.147 1.174 75.355 1.00737.35 P ATOM 7333 O1P C 0 398 173.654 2.298 76.190 1.00737.35 O ATOM 7334 O2P C 0 398 174.524 -0.109 76.004 1.00737.35 O ATOM 7335 O5* C 0 398 173.056 0.865 74.235 1.00737.35 O ATOM 7336 C5* C 0 398 172.393 1.922 73.545 1.00737.35 C ATOM 7337 C4* C 0 398 171.540 1.365 72.429 1.00737.35 C ATOM 7338 O4* C 0 398 172.395 0.732 71.443 1.00737.35 O ATOM 7339 C3* C 0 398 170.556 0.277 72.834 1.00737.35 C ATOM 7340 O3* C 0 398 169.348 0.841 73.327 1.00737.35 O ATOM 7341 C2* C 0 398 170.345 -0.472 71.523 1.00737.35 C ATOM 7342 O2* C 0 398 169.422 0.166 70.662 1.00737.35 O ATOM 7343 C1* C 0 398 171.747 -0.415 70.912 1.00737.35 C ATOM 7344 N1 C 0 398 172.570 -1.605 71.211 1.00737.35 N ATOM 7345 C2 C 0 398 172.426 -2.747 70.405 1.00737.35 C ATOM 7346 O2 C 0 398 171.616 -2.728 69.464 1.00737.35 O ATOM 7347 N3 C 0 398 173.172 -3.842 70.677 1.00737.35 N ATOM 7348 C4 C 0 398 174.032 -3.831 71.696 1.00737.35 C ATOM 7349 N4 C 0 398 174.745 -4.934 71.927 1.00737.35 N ATOM 7350 C5 C 0 398 174.201 -2.683 72.528 1.00737.35 C ATOM 7351 C6 C 0 398 173.458 -1.606 72.253 1.00737.35 C ATOM 7352 P G 0 399 168.473 0.036 74.409 1.00737.35 P ATOM 7353 O1P G 0 399 169.336 -0.203 75.595 1.00737.35 O ATOM 7354 O2P G 0 399 167.827 -1.114 73.727 1.00737.35 O ATOM 7355 O5* G 0 399 167.336 1.072 74.831 1.00737.35 O ATOM 7356 C5* G 0 399 166.567 1.756 73.845 1.00737.35 C ATOM 7357 C4* G 0 399 165.955 3.006 74.434 1.00737.35 C ATOM 7358 O4* G 0 399 167.002 3.832 75.008 1.00737.35 O ATOM 7359 C3* G 0 399 165.256 3.913 73.437 1.00737.35 C ATOM 7360 O3* G 0 399 163.913 3.487 73.221 1.00737.35 O ATOM 7361 C2* G 0 399 165.326 5.270 74.126 1.00737.35 C ATOM 7362 O2* G 0 399 164.332 5.444 75.115 1.00737.35 O ATOM 7363 C1* G 0 399 166.708 5.203 74.784 1.00737.35 C ATOM 7364 N9 G 0 399 167.785 5.782 73.982 1.00737.35 N ATOM 7365 C8 G 0 399 168.970 5.180 73.629 1.00737.35 C ATOM 7366 N7 G 0 399 169.746 5.948 72.913 1.00737.35 N ATOM 7367 C5 G 0 399 169.030 7.132 72.784 1.00737.35 C ATOM 7368 C6 G 0 399 169.363 8.338 72.112 1.00737.35 C ATOM 7369 O6 G 0 399 170.390 8.608 71.480 1.00737.35 O ATOM 7370 N1 G 0 399 168.353 9.283 72.228 1.00737.35 N ATOM 7371 C2 G 0 399 167.170 9.099 72.905 1.00737.35 C ATOM 7372 N2 G 0 399 166.316 10.132 72.896 1.00737.35 N ATOM 7373 N3 G 0 399 166.848 7.983 73.537 1.00737.35 N ATOM 7374 C4 G 0 399 167.817 7.047 73.437 1.00737.35 C ATOM 7375 P U 0 400 163.129 3.943 71.893 1.00737.35 P ATOM 7376 O1P U 0 400 164.091 3.921 70.760 1.00737.35 O ATOM 7377 O2P U 0 400 162.394 5.195 72.203 1.00737.35 O ATOM 7378 O5* U 0 400 162.059 2.784 71.665 1.00737.35 O ATOM 7379 C5* U 0 400 162.435 1.544 71.072 1.00737.35 C ATOM 7380 C4* U 0 400 161.510 0.439 71.526 1.00737.35 C ATOM 7381 O4* U 0 400 161.667 0.236 72.955 1.00737.35 O ATOM 7382 C3* U 0 400 160.023 0.702 71.345 1.00737.35 C ATOM 7383 O3* U 0 400 159.605 0.381 70.021 1.00737.35 O ATOM 7384 C2* U 0 400 159.403 -0.220 72.389 1.00737.35 C ATOM 7385 O2* U 0 400 159.305 -1.563 71.960 1.00737.35 O ATOM 7386 C1* U 0 400 160.417 -0.109 73.531 1.00737.35 C ATOM 7387 N1 U 0 400 160.065 0.908 74.539 1.00737.35 N ATOM 7388 C2 U 0 400 159.291 0.510 75.619 1.00737.35 C ATOM 7389 O2 U 0 400 158.892 -0.634 75.769 1.00737.35 O ATOM 7390 N3 U 0 400 158.997 1.505 76.517 1.00737.35 N ATOM 7391 C4 U 0 400 159.389 2.828 76.452 1.00737.35 C ATOM 7392 O4 U 0 400 159.039 3.607 77.341 1.00737.35 O ATOM 7393 C5 U 0 400 160.186 3.160 75.311 1.00737.35 C ATOM 7394 C6 U 0 400 160.490 2.214 74.417 1.00737.35 C ATOM 7395 P G 0 401 158.334 1.132 69.380 1.00737.35 P ATOM 7396 O1P G 0 401 158.428 2.569 69.740 1.00737.35 O ATOM 7397 O2P G 0 401 157.114 0.363 69.738 1.00737.35 O ATOM 7398 O5* G 0 401 158.565 1.009 67.807 1.00737.35 O ATOM 7399 C5* G 0 401 158.733 -0.260 67.183 1.00737.35 C ATOM 7400 C4* G 0 401 160.064 -0.316 66.473 1.00737.35 C ATOM 7401 O4* G 0 401 161.117 -0.026 67.429 1.00737.35 O ATOM 7402 C3* G 0 401 160.439 -1.667 65.882 1.00737.35 C ATOM 7403 O3* G 0 401 159.897 -1.801 64.571 1.00737.35 O ATOM 7404 C2* G 0 401 161.964 -1.597 65.857 1.00737.35 C ATOM 7405 O2* G 0 401 162.470 -0.894 64.739 1.00737.35 O ATOM 7406 C1* G 0 401 162.258 -0.807 67.136 1.00737.35 C ATOM 7407 N9 G 0 401 162.556 -1.634 68.304 1.00737.35 N ATOM 7408 C8 G 0 401 161.828 -2.698 68.781 1.00737.35 C ATOM 7409 N7 G 0 401 162.350 -3.243 69.845 1.00737.35 N ATOM 7410 C5 G 0 401 163.494 -2.494 70.090 1.00737.35 C ATOM 7411 C6 G 0 401 164.471 -2.614 71.111 1.00737.35 C ATOM 7412 O6 G 0 401 164.524 -3.437 72.034 1.00737.35 O ATOM 7413 N1 G 0 401 165.461 -1.647 70.988 1.00737.35 N ATOM 7414 C2 G 0 401 165.511 -0.686 70.008 1.00737.35 C ATOM 7415 N2 G 0 401 166.550 0.160 70.061 1.00737.35 N ATOM 7416 N3 G 0 401 164.610 -0.565 69.048 1.00737.35 N ATOM 7417 C4 G 0 401 163.635 -1.494 69.147 1.00737.35 C ATOM 7418 P A 0 402 158.902 -3.021 64.235 1.00737.35 P ATOM 7419 O1P A 0 402 158.215 -2.678 62.963 1.00737.35 O ATOM 7420 O2P A 0 402 158.094 -3.331 65.442 1.00737.35 O ATOM 7421 O5* A 0 402 159.868 -4.256 63.946 1.00737.35 O ATOM 7422 C5* A 0 402 159.337 -5.519 63.550 1.00737.35 C ATOM 7423 C4* A 0 402 160.416 -6.578 63.558 1.00737.35 C ATOM 7424 O4* A 0 402 161.390 -6.295 62.521 1.00737.35 O ATOM 7425 C3* A 0 402 161.243 -6.671 64.831 1.00737.35 C ATOM 7426 O3* A 0 402 160.579 -7.452 65.818 1.00737.35 O ATOM 7427 C2* A 0 402 162.520 -7.343 64.336 1.00737.35 C ATOM 7428 O2* A 0 402 162.404 -8.748 64.226 1.00737.35 O ATOM 7429 C1* A 0 402 162.675 -6.725 62.943 1.00737.35 C ATOM 7430 N9 A 0 402 163.587 -5.578 62.910 1.00737.35 N ATOM 7431 C8 A 0 402 163.278 -4.240 62.952 1.00737.35 C ATOM 7432 N7 A 0 402 164.325 -3.454 62.904 1.00737.35 N ATOM 7433 C5 A 0 402 165.397 -4.330 62.827 1.00737.35 C ATOM 7434 C6 A 0 402 166.787 -4.124 62.752 1.00737.35 C ATOM 7435 N6 A 0 402 167.356 -2.915 62.741 1.00737.35 N ATOM 7436 N1 A 0 402 167.582 -5.213 62.689 1.00737.35 N ATOM 7437 C2 A 0 402 167.011 -6.424 62.701 1.00737.35 C ATOM 7438 N3 A 0 402 165.723 -6.747 62.770 1.00737.35 N ATOM 7439 C4 A 0 402 164.958 -5.642 62.831 1.00737.35 C ATOM 7440 P A 0 403 160.737 -7.070 67.372 1.00737.35 P ATOM 7441 O1P A 0 403 160.064 -8.131 68.162 1.00737.35 O ATOM 7442 O2P A 0 403 160.326 -5.653 67.550 1.00737.35 O ATOM 7443 O5* A 0 403 162.304 -7.172 67.637 1.00737.35 O ATOM 7444 C5* A 0 403 162.990 -8.413 67.498 1.00737.35 C ATOM 7445 C4* A 0 403 164.467 -8.231 67.760 1.00737.35 C ATOM 7446 O4* A 0 403 165.029 -7.345 66.762 1.00737.35 O ATOM 7447 C3* A 0 403 164.831 -7.588 69.089 1.00737.35 C ATOM 7448 O3* A 0 403 164.887 -8.577 70.109 1.00737.35 O ATOM 7449 C2* A 0 403 166.220 -7.023 68.804 1.00737.35 C ATOM 7450 O2* A 0 403 167.249 -7.986 68.935 1.00737.35 O ATOM 7451 C1* A 0 403 166.096 -6.609 67.335 1.00737.35 C ATOM 7452 N9 A 0 403 165.842 -5.181 67.136 1.00737.35 N ATOM 7453 C8 A 0 403 164.636 -4.521 67.110 1.00737.35 C ATOM 7454 N7 A 0 403 164.745 -3.231 66.903 1.00737.35 N ATOM 7455 C5 A 0 403 166.113 -3.025 66.790 1.00737.35 C ATOM 7456 C6 A 0 403 166.882 -1.869 66.568 1.00737.35 C ATOM 7457 N6 A 0 403 166.357 -0.651 66.415 1.00737.35 N ATOM 7458 N1 A 0 403 168.223 -2.008 66.507 1.00737.35 N ATOM 7459 C2 A 0 403 168.747 -3.230 66.662 1.00737.35 C ATOM 7460 N3 A 0 403 168.132 -4.390 66.876 1.00737.35 N ATOM 7461 C4 A 0 403 166.799 -4.217 66.931 1.00737.35 C ATOM 7462 P A 0 404 163.715 -8.670 71.209 1.00737.35 P ATOM 7463 O1P A 0 404 162.421 -8.762 70.488 1.00737.35 O ATOM 7464 O2P A 0 404 163.922 -7.593 72.212 1.00737.35 O ATOM 7465 O5* A 0 404 163.985 -10.072 71.914 1.00737.35 O ATOM 7466 C5* A 0 404 164.212 -11.244 71.131 1.00737.35 C ATOM 7467 C4* A 0 404 165.649 -11.701 71.273 1.00737.35 C ATOM 7468 O4* A 0 404 166.527 -10.593 70.941 1.00737.35 O ATOM 7469 C3* A 0 404 166.075 -12.120 72.671 1.00737.35 C ATOM 7470 O3* A 0 404 165.761 -13.493 72.892 1.00737.35 O ATOM 7471 C2* A 0 404 167.580 -11.881 72.636 1.00737.35 C ATOM 7472 O2* A 0 404 168.295 -12.928 72.010 1.00737.35 O ATOM 7473 C1* A 0 404 167.668 -10.614 71.782 1.00737.35 C ATOM 7474 N9 A 0 404 167.694 -9.376 72.561 1.00737.35 N ATOM 7475 C8 A 0 404 166.627 -8.719 73.132 1.00737.35 C ATOM 7476 N7 A 0 404 166.961 -7.625 73.770 1.00737.35 N ATOM 7477 C5 A 0 404 168.338 -7.553 73.615 1.00737.35 C ATOM 7478 C6 A 0 404 169.289 -6.619 74.061 1.00737.35 C ATOM 7479 N6 A 0 404 168.982 -5.536 74.780 1.00737.35 N ATOM 7480 N1 A 0 404 170.583 -6.836 73.735 1.00737.35 N ATOM 7481 C2 A 0 404 170.886 -7.921 73.011 1.00737.35 C ATOM 7482 N3 A 0 404 170.081 -8.869 72.534 1.00737.35 N ATOM 7483 C4 A 0 404 168.802 -8.624 72.873 1.00737.35 C ATOM 7484 P C 0 405 165.517 -14.027 74.390 1.00737.35 P ATOM 7485 O1P C 0 405 165.127 -15.457 74.286 1.00737.35 O ATOM 7486 O2P C 0 405 164.621 -13.075 75.094 1.00737.35 O ATOM 7487 O5* C 0 405 166.956 -13.951 75.066 1.00737.35 O ATOM 7488 C5* C 0 405 168.040 -14.749 74.589 1.00737.35 C ATOM 7489 C4* C 0 405 169.347 -14.263 75.172 1.00737.35 C ATOM 7490 O4* C 0 405 169.592 -12.904 74.723 1.00737.35 O ATOM 7491 C3* C 0 405 169.394 -14.176 76.691 1.00737.35 C ATOM 7492 O3* C 0 405 169.741 -15.430 77.269 1.00737.35 O ATOM 7493 C2* C 0 405 170.465 -13.121 76.923 1.00737.35 C ATOM 7494 O2* C 0 405 171.780 -13.631 76.815 1.00737.35 O ATOM 7495 C1* C 0 405 170.189 -12.152 75.771 1.00737.35 C ATOM 7496 N1 C 0 405 169.279 -11.047 76.136 1.00737.35 N ATOM 7497 C2 C 0 405 169.818 -9.879 76.703 1.00737.35 C ATOM 7498 O2 C 0 405 171.045 -9.804 76.885 1.00737.35 O ATOM 7499 N3 C 0 405 168.988 -8.864 77.035 1.00737.35 N ATOM 7500 C4 C 0 405 167.673 -8.978 76.828 1.00737.35 C ATOM 7501 N4 C 0 405 166.896 -7.950 77.171 1.00737.35 N ATOM 7502 C5 C 0 405 167.100 -10.150 76.260 1.00737.35 C ATOM 7503 C6 C 0 405 167.929 -11.148 75.931 1.00737.35 C ATOM 7504 P G 0 406 169.229 -15.793 78.750 1.00737.35 P ATOM 7505 O1P G 0 406 169.686 -17.176 79.044 1.00737.35 O ATOM 7506 O2P G 0 406 167.784 -15.465 78.841 1.00737.35 O ATOM 7507 O5* G 0 406 170.028 -14.784 79.689 1.00737.35 O ATOM 7508 C5* G 0 406 171.368 -15.060 80.093 1.00737.35 C ATOM 7509 C4* G 0 406 171.830 -14.047 81.116 1.00737.35 C ATOM 7510 O4* G 0 406 171.946 -12.740 80.494 1.00737.35 O ATOM 7511 C3* G 0 406 170.893 -13.817 82.291 1.00737.35 C ATOM 7512 O3* G 0 406 171.075 -14.802 83.304 1.00737.35 O ATOM 7513 C2* G 0 406 171.303 -12.428 82.765 1.00737.35 C ATOM 7514 O2* G 0 406 172.458 -12.438 83.583 1.00737.35 O ATOM 7515 C1* G 0 406 171.616 -11.733 81.437 1.00737.35 C ATOM 7516 N9 G 0 406 170.499 -10.951 80.913 1.00737.35 N ATOM 7517 C8 G 0 406 169.498 -11.384 80.074 1.00737.35 C ATOM 7518 N7 G 0 406 168.638 -10.449 79.776 1.00737.35 N ATOM 7519 C5 G 0 406 169.095 -9.331 80.458 1.00737.35 C ATOM 7520 C6 G 0 406 168.569 -8.012 80.520 1.00737.35 C ATOM 7521 O6 G 0 406 167.562 -7.558 79.965 1.00737.35 O ATOM 7522 N1 G 0 406 169.345 -7.191 81.331 1.00737.35 N ATOM 7523 C2 G 0 406 170.480 -7.581 81.997 1.00737.35 C ATOM 7524 N2 G 0 406 171.090 -6.640 82.731 1.00737.35 N ATOM 7525 N3 G 0 406 170.980 -8.806 81.948 1.00737.35 N ATOM 7526 C4 G 0 406 170.241 -9.624 81.165 1.00737.35 C ATOM 7527 P A 0 407 169.824 -15.264 84.204 1.00737.35 P ATOM 7528 O1P A 0 407 170.341 -16.217 85.220 1.00737.35 O ATOM 7529 O2P A 0 407 168.724 -15.685 83.298 1.00737.35 O ATOM 7530 O5* A 0 407 169.376 -13.931 84.951 1.00737.35 O ATOM 7531 C5* A 0 407 170.224 -13.313 85.918 1.00737.35 C ATOM 7532 C4* A 0 407 169.642 -11.990 86.363 1.00737.35 C ATOM 7533 O4* A 0 407 169.592 -11.076 85.236 1.00737.35 O ATOM 7534 C3* A 0 407 168.210 -12.022 86.867 1.00737.35 C ATOM 7535 O3* A 0 407 168.156 -12.411 88.236 1.00737.35 O ATOM 7536 C2* A 0 407 167.776 -10.569 86.694 1.00737.35 C ATOM 7537 O2* A 0 407 168.201 -9.732 87.750 1.00737.35 O ATOM 7538 C1* A 0 407 168.506 -10.179 85.405 1.00737.35 C ATOM 7539 N9 A 0 407 167.655 -10.230 84.214 1.00737.35 N ATOM 7540 C8 A 0 407 167.425 -11.285 83.364 1.00737.35 C ATOM 7541 N7 A 0 407 166.595 -11.007 82.388 1.00737.35 N ATOM 7542 C5 A 0 407 166.255 -9.678 82.608 1.00737.35 C ATOM 7543 C6 A 0 407 165.406 -8.790 81.920 1.00737.35 C ATOM 7544 N6 A 0 407 164.712 -9.119 80.829 1.00737.35 N ATOM 7545 N1 A 0 407 165.289 -7.533 82.402 1.00737.35 N ATOM 7546 C2 A 0 407 165.983 -7.203 83.499 1.00737.35 C ATOM 7547 N3 A 0 407 166.809 -7.946 84.231 1.00737.35 N ATOM 7548 C4 A 0 407 166.903 -9.187 83.726 1.00737.35 C ATOM 7549 P U 0 408 167.188 -13.614 88.687 1.00737.35 P ATOM 7550 O1P U 0 408 168.012 -14.849 88.707 1.00737.35 O ATOM 7551 O2P U 0 408 165.950 -13.571 87.863 1.00737.35 O ATOM 7552 O5* U 0 408 166.819 -13.254 90.195 1.00737.35 O ATOM 7553 C5* U 0 408 165.560 -12.673 90.530 1.00737.35 C ATOM 7554 C4* U 0 408 165.751 -11.254 91.014 1.00737.35 C ATOM 7555 O4* U 0 408 166.344 -10.468 89.949 1.00737.35 O ATOM 7556 C3* U 0 408 164.471 -10.509 91.366 1.00737.35 C ATOM 7557 O3* U 0 408 164.089 -10.774 92.713 1.00737.35 O ATOM 7558 C2* U 0 408 164.884 -9.053 91.185 1.00737.35 C ATOM 7559 O2* U 0 408 165.584 -8.532 92.295 1.00737.35 O ATOM 7560 C1* U 0 408 165.823 -9.149 89.978 1.00737.35 C ATOM 7561 N1 U 0 408 165.164 -8.872 88.690 1.00737.35 N ATOM 7562 C2 U 0 408 165.223 -7.575 88.198 1.00737.35 C ATOM 7563 O2 U 0 408 165.794 -6.663 88.781 1.00737.35 O ATOM 7564 N3 U 0 408 164.587 -7.383 86.997 1.00737.35 N ATOM 7565 C4 U 0 408 163.914 -8.329 86.249 1.00737.35 C ATOM 7566 O4 U 0 408 163.388 -7.997 85.185 1.00737.35 O ATOM 7567 C5 U 0 408 163.894 -9.639 86.822 1.00737.35 C ATOM 7568 C6 U 0 408 164.504 -9.862 87.992 1.00737.35 C ATOM 7569 P G 0 409 162.585 -11.235 93.041 1.00737.35 P ATOM 7570 O1P G 0 409 162.431 -11.180 94.518 1.00737.35 O ATOM 7571 O2P G 0 409 162.317 -12.510 92.323 1.00737.35 O ATOM 7572 O5* G 0 409 161.675 -10.095 92.399 1.00737.35 O ATOM 7573 C5* G 0 409 161.491 -8.844 93.059 1.00737.35 C ATOM 7574 C4* G 0 409 160.310 -8.102 92.469 1.00737.35 C ATOM 7575 O4* G 0 409 160.608 -7.714 91.103 1.00737.35 O ATOM 7576 C3* G 0 409 159.010 -8.884 92.362 1.00737.35 C ATOM 7577 O3* G 0 409 158.297 -8.874 93.595 1.00737.35 O ATOM 7578 C2* G 0 409 158.267 -8.118 91.273 1.00737.35 C ATOM 7579 O2* G 0 409 157.618 -6.956 91.756 1.00737.35 O ATOM 7580 C1* G 0 409 159.413 -7.718 90.337 1.00737.35 C ATOM 7581 N9 G 0 409 159.584 -8.623 89.203 1.00737.35 N ATOM 7582 C8 G 0 409 160.520 -9.623 89.067 1.00737.35 C ATOM 7583 N7 G 0 409 160.423 -10.265 87.935 1.00737.35 N ATOM 7584 C5 G 0 409 159.361 -9.654 87.282 1.00737.35 C ATOM 7585 C6 G 0 409 158.788 -9.922 86.012 1.00737.35 C ATOM 7586 O6 G 0 409 159.116 -10.780 85.181 1.00737.35 O ATOM 7587 N1 G 0 409 157.725 -9.066 85.740 1.00737.35 N ATOM 7588 C2 G 0 409 157.269 -8.078 86.582 1.00737.35 C ATOM 7589 N2 G 0 409 156.228 -7.354 86.140 1.00737.35 N ATOM 7590 N3 G 0 409 157.795 -7.818 87.766 1.00737.35 N ATOM 7591 C4 G 0 409 158.832 -8.640 88.051 1.00737.35 C ATOM 7592 P A 0 410 157.369 -10.128 93.991 1.00737.35 P ATOM 7593 O1P A 0 410 156.835 -9.862 95.352 1.00737.35 O ATOM 7594 O2P A 0 410 158.132 -11.378 93.734 1.00737.35 O ATOM 7595 O5* A 0 410 156.158 -10.061 92.958 1.00737.35 O ATOM 7596 C5* A 0 410 155.115 -9.098 93.109 1.00737.35 C ATOM 7597 C4* A 0 410 154.079 -9.263 92.020 1.00737.35 C ATOM 7598 O4* A 0 410 154.694 -9.010 90.728 1.00737.35 O ATOM 7599 C3* A 0 410 153.467 -10.648 91.873 1.00737.35 C ATOM 7600 O3* A 0 410 152.393 -10.840 92.790 1.00737.35 O ATOM 7601 C2* A 0 410 152.975 -10.630 90.431 1.00737.35 C ATOM 7602 O2* A 0 410 151.731 -9.976 90.274 1.00737.35 O ATOM 7603 C1* A 0 410 154.077 -9.820 89.742 1.00737.35 C ATOM 7604 N9 A 0 410 155.102 -10.654 89.111 1.00737.35 N ATOM 7605 C8 A 0 410 156.275 -11.123 89.653 1.00737.35 C ATOM 7606 N7 A 0 410 156.984 -11.853 88.827 1.00737.35 N ATOM 7607 C5 A 0 410 156.230 -11.872 87.665 1.00737.35 C ATOM 7608 C6 A 0 410 156.431 -12.478 86.412 1.00737.35 C ATOM 7609 N6 A 0 410 157.503 -13.217 86.111 1.00737.35 N ATOM 7610 N1 A 0 410 155.482 -12.301 85.468 1.00737.35 N ATOM 7611 C2 A 0 410 154.409 -11.561 85.768 1.00737.35 C ATOM 7612 N3 A 0 410 154.106 -10.940 86.905 1.00737.35 N ATOM 7613 C4 A 0 410 155.066 -11.136 87.823 1.00737.35 C ATOM 7614 P C 0 411 151.949 -12.334 93.196 1.00737.35 P ATOM 7615 O1P C 0 411 150.709 -12.218 94.006 1.00737.35 O ATOM 7616 O2P C 0 411 153.129 -13.037 93.759 1.00737.35 O ATOM 7617 O5* C 0 411 151.563 -13.011 91.806 1.00737.35 O ATOM 7618 C5* C 0 411 151.468 -14.428 91.677 1.00737.35 C ATOM 7619 C4* C 0 411 151.024 -14.795 90.279 1.00737.35 C ATOM 7620 O4* C 0 411 151.914 -14.173 89.314 1.00737.35 O ATOM 7621 C3* C 0 411 151.076 -16.278 89.941 1.00737.35 C ATOM 7622 O3* C 0 411 149.892 -16.944 90.373 1.00737.35 O ATOM 7623 C2* C 0 411 151.200 -16.261 88.422 1.00737.35 C ATOM 7624 O2* C 0 411 149.960 -16.080 87.766 1.00737.35 O ATOM 7625 C1* C 0 411 152.090 -15.035 88.199 1.00737.35 C ATOM 7626 N1 C 0 411 153.528 -15.355 88.068 1.00737.35 N ATOM 7627 C2 C 0 411 154.032 -15.713 86.805 1.00737.35 C ATOM 7628 O2 C 0 411 153.260 -15.762 85.832 1.00737.35 O ATOM 7629 N3 C 0 411 155.351 -15.997 86.678 1.00737.35 N ATOM 7630 C4 C 0 411 156.153 -15.939 87.743 1.00737.35 C ATOM 7631 N4 C 0 411 157.445 -16.225 87.566 1.00737.35 N ATOM 7632 C5 C 0 411 155.667 -15.584 89.034 1.00737.35 C ATOM 7633 C6 C 0 411 154.363 -15.302 89.152 1.00737.35 C ATOM 7634 P U 0 412 149.890 -18.546 90.525 1.00737.35 P ATOM 7635 O1P U 0 412 148.524 -18.950 90.944 1.00737.35 O ATOM 7636 O2P U 0 412 151.057 -18.939 91.358 1.00737.35 O ATOM 7637 O5* U 0 412 150.126 -19.070 89.040 1.00737.35 O ATOM 7638 C5* U 0 412 150.636 -20.377 88.790 1.00737.35 C ATOM 7639 C4* U 0 412 151.354 -20.409 87.463 1.00737.35 C ATOM 7640 O4* U 0 412 152.374 -19.375 87.449 1.00737.35 O ATOM 7641 C3* U 0 412 152.107 -21.692 87.154 1.00737.35 C ATOM 7642 O3* U 0 412 151.244 -22.667 86.575 1.00737.35 O ATOM 7643 C2* U 0 412 153.165 -21.213 86.166 1.00737.35 C ATOM 7644 O2* U 0 412 152.677 -21.092 84.845 1.00737.35 O ATOM 7645 C1* U 0 412 153.505 -19.831 86.723 1.00737.35 C ATOM 7646 N1 U 0 412 154.674 -19.825 87.621 1.00737.35 N ATOM 7647 C2 U 0 412 155.926 -19.621 87.052 1.00737.35 C ATOM 7648 O2 U 0 412 156.095 -19.448 85.855 1.00737.35 O ATOM 7649 N3 U 0 412 156.972 -19.631 87.939 1.00737.35 N ATOM 7650 C4 U 0 412 156.905 -19.817 89.307 1.00737.35 C ATOM 7651 O4 U 0 412 157.941 -19.795 89.971 1.00737.35 O ATOM 7652 C5 U 0 412 155.584 -20.018 89.816 1.00737.35 C ATOM 7653 C6 U 0 412 154.541 -20.016 88.980 1.00737.35 C ATOM 7654 P G 0 413 151.364 -24.208 87.017 1.00737.35 P ATOM 7655 O1P G 0 413 150.501 -24.997 86.103 1.00737.35 O ATOM 7656 O2P G 0 413 151.142 -24.290 88.484 1.00737.35 O ATOM 7657 O5* G 0 413 152.883 -24.586 86.719 1.00737.35 O ATOM 7658 C5* G 0 413 153.434 -24.435 85.412 1.00737.35 C ATOM 7659 C4* G 0 413 154.943 -24.401 85.483 1.00737.35 C ATOM 7660 O4* G 0 413 155.351 -23.306 86.348 1.00737.35 O ATOM 7661 C3* G 0 413 155.607 -25.630 86.090 1.00737.35 C ATOM 7662 O3* G 0 413 155.811 -26.631 85.100 1.00737.35 O ATOM 7663 C2* G 0 413 156.929 -25.064 86.600 1.00737.35 C ATOM 7664 O2* G 0 413 157.904 -24.928 85.582 1.00737.35 O ATOM 7665 C1* G 0 413 156.499 -23.681 87.091 1.00737.35 C ATOM 7666 N9 G 0 413 156.162 -23.648 88.514 1.00737.35 N ATOM 7667 C8 G 0 413 154.920 -23.831 89.078 1.00737.35 C ATOM 7668 N7 G 0 413 154.933 -23.745 90.380 1.00737.35 N ATOM 7669 C5 G 0 413 156.262 -23.491 90.696 1.00737.35 C ATOM 7670 C6 G 0 413 156.886 -23.299 91.956 1.00737.35 C ATOM 7671 O6 G 0 413 156.374 -23.315 93.080 1.00737.35 O ATOM 7672 N1 G 0 413 158.251 -23.067 91.818 1.00737.35 N ATOM 7673 C2 G 0 413 158.930 -23.024 90.626 1.00737.35 C ATOM 7674 N2 G 0 413 160.247 -22.786 90.703 1.00737.35 N ATOM 7675 N3 G 0 413 158.361 -23.200 89.445 1.00737.35 N ATOM 7676 C4 G 0 413 157.033 -23.426 89.555 1.00737.35 C ATOM 7677 P A 0 414 156.113 -28.152 85.541 1.00737.35 P ATOM 7678 O1P A 0 414 154.889 -28.941 85.248 1.00737.35 O ATOM 7679 O2P A 0 414 156.679 -28.160 86.913 1.00737.35 O ATOM 7680 O5* A 0 414 157.253 -28.620 84.532 1.00737.35 O ATOM 7681 C5* A 0 414 158.352 -27.762 84.229 1.00737.35 C ATOM 7682 C4* A 0 414 159.005 -28.180 82.933 1.00737.35 C ATOM 7683 O4* A 0 414 159.960 -27.163 82.535 1.00737.35 O ATOM 7684 C3* A 0 414 159.815 -29.466 82.983 1.00737.35 C ATOM 7685 O3* A 0 414 158.989 -30.610 82.788 1.00737.35 O ATOM 7686 C2* A 0 414 160.794 -29.273 81.831 1.00737.35 C ATOM 7687 O2* A 0 414 160.233 -29.573 80.567 1.00737.35 O ATOM 7688 C1* A 0 414 161.088 -27.774 81.928 1.00737.35 C ATOM 7689 N9 A 0 414 162.271 -27.463 82.731 1.00737.35 N ATOM 7690 C8 A 0 414 162.343 -27.262 84.088 1.00737.35 C ATOM 7691 N7 A 0 414 163.552 -26.998 84.521 1.00737.35 N ATOM 7692 C5 A 0 414 164.328 -27.026 83.372 1.00737.35 C ATOM 7693 C6 A 0 414 165.703 -26.822 83.157 1.00737.35 C ATOM 7694 N6 A 0 414 166.573 -26.540 84.130 1.00737.35 N ATOM 7695 N1 A 0 414 166.161 -26.919 81.889 1.00737.35 N ATOM 7696 C2 A 0 414 165.289 -27.201 80.914 1.00737.35 C ATOM 7697 N3 A 0 414 163.977 -27.412 80.990 1.00737.35 N ATOM 7698 C4 A 0 414 163.555 -27.310 82.262 1.00737.35 C ATOM 7699 P A 0 415 159.401 -32.016 83.458 1.00737.35 P ATOM 7700 O1P A 0 415 158.396 -33.021 83.025 1.00737.35 O ATOM 7701 O2P A 0 415 159.638 -31.794 84.907 1.00737.35 O ATOM 7702 O5* A 0 415 160.795 -32.383 82.775 1.00737.35 O ATOM 7703 C5* A 0 415 160.886 -32.621 81.371 1.00737.35 C ATOM 7704 C4* A 0 415 162.328 -32.557 80.917 1.00737.35 C ATOM 7705 O4* A 0 415 162.863 -31.243 81.224 1.00737.35 O ATOM 7706 C3* A 0 415 163.286 -33.524 81.598 1.00737.35 C ATOM 7707 O3* A 0 415 163.273 -34.792 80.950 1.00737.35 O ATOM 7708 C2* A 0 415 164.625 -32.819 81.425 1.00737.35 C ATOM 7709 O2* A 0 415 165.192 -33.007 80.142 1.00737.35 O ATOM 7710 C1* A 0 415 164.225 -31.354 81.602 1.00737.35 C ATOM 7711 N9 A 0 415 164.368 -30.878 82.979 1.00737.35 N ATOM 7712 C8 A 0 415 163.409 -30.828 83.964 1.00737.35 C ATOM 7713 N7 A 0 415 163.846 -30.352 85.104 1.00737.35 N ATOM 7714 C5 A 0 415 165.181 -30.065 84.856 1.00737.35 C ATOM 7715 C6 A 0 415 166.200 -29.534 85.666 1.00737.35 C ATOM 7716 N6 A 0 415 166.027 -29.181 86.942 1.00737.35 N ATOM 7717 N1 A 0 415 167.422 -29.375 85.113 1.00737.35 N ATOM 7718 C2 A 0 415 167.597 -29.729 83.833 1.00737.35 C ATOM 7719 N3 A 0 415 166.720 -30.238 82.971 1.00737.35 N ATOM 7720 C4 A 0 415 165.515 -30.384 83.552 1.00737.35 C ATOM 7721 P U 0 416 163.558 -36.130 81.800 1.00737.35 P ATOM 7722 O1P U 0 416 163.565 -37.266 80.842 1.00737.35 O ATOM 7723 O2P U 0 416 162.630 -36.155 82.960 1.00737.35 O ATOM 7724 O5* U 0 416 165.040 -35.938 82.351 1.00737.35 O ATOM 7725 C5* U 0 416 166.127 -35.667 81.467 1.00737.35 C ATOM 7726 C4* U 0 416 167.380 -35.358 82.256 1.00737.35 C ATOM 7727 O4* U 0 416 167.123 -34.231 83.134 1.00737.35 O ATOM 7728 C3* U 0 416 167.861 -36.461 83.184 1.00737.35 C ATOM 7729 O3* U 0 416 168.684 -37.377 82.470 1.00737.35 O ATOM 7730 C2* U 0 416 168.662 -35.683 84.224 1.00737.35 C ATOM 7731 O2* U 0 416 169.971 -35.365 83.794 1.00737.35 O ATOM 7732 C1* U 0 416 167.836 -34.401 84.349 1.00737.35 C ATOM 7733 N1 U 0 416 166.872 -34.422 85.463 1.00737.35 N ATOM 7734 C2 U 0 416 167.309 -33.981 86.706 1.00737.35 C ATOM 7735 O2 U 0 416 168.444 -33.584 86.912 1.00737.35 O ATOM 7736 N3 U 0 416 166.363 -34.025 87.700 1.00737.35 N ATOM 7737 C4 U 0 416 165.056 -34.452 87.587 1.00737.35 C ATOM 7738 O4 U 0 416 164.324 -34.430 88.579 1.00737.35 O ATOM 7739 C5 U 0 416 164.680 -34.889 86.280 1.00737.35 C ATOM 7740 C6 U 0 416 165.577 -34.861 85.288 1.00737.35 C ATOM 7741 P C 0 417 168.365 -38.953 82.521 1.00737.35 P ATOM 7742 O1P C 0 417 166.894 -39.126 82.637 1.00737.35 O ATOM 7743 O2P C 0 417 169.258 -39.573 83.532 1.00737.35 O ATOM 7744 O5* C 0 417 168.811 -39.468 81.080 1.00737.35 O ATOM 7745 C5* C 0 417 168.223 -38.925 79.901 1.00737.35 C ATOM 7746 C4* C 0 417 169.289 -38.351 78.997 1.00737.35 C ATOM 7747 O4* C 0 417 170.042 -37.346 79.726 1.00737.35 O ATOM 7748 C3* C 0 417 170.345 -39.328 78.501 1.00737.35 C ATOM 7749 O3* C 0 417 169.870 -40.005 77.337 1.00737.35 O ATOM 7750 C2* C 0 417 171.523 -38.408 78.196 1.00737.35 C ATOM 7751 O2* C 0 417 171.418 -37.769 76.940 1.00737.35 O ATOM 7752 C1* C 0 417 171.400 -37.370 79.316 1.00737.35 C ATOM 7753 N1 C 0 417 172.247 -37.660 80.491 1.00737.35 N ATOM 7754 C2 C 0 417 173.566 -37.177 80.514 1.00737.35 C ATOM 7755 O2 C 0 417 173.987 -36.517 79.548 1.00737.35 O ATOM 7756 N3 C 0 417 174.348 -37.438 81.587 1.00737.35 N ATOM 7757 C4 C 0 417 173.862 -38.150 82.608 1.00737.35 C ATOM 7758 N4 C 0 417 174.670 -38.385 83.645 1.00737.35 N ATOM 7759 C5 C 0 417 172.531 -38.655 82.609 1.00737.35 C ATOM 7760 C6 C 0 417 171.766 -38.390 81.543 1.00737.35 C ATOM 7761 P C 0 418 170.798 -41.102 76.604 1.00737.35 P ATOM 7762 O1P C 0 418 169.893 -42.147 76.062 1.00737.35 O ATOM 7763 O2P C 0 418 171.909 -41.490 77.511 1.00737.35 O ATOM 7764 O5* C 0 418 171.420 -40.308 75.368 1.00737.35 O ATOM 7765 C5* C 0 418 170.598 -39.492 74.533 1.00737.35 C ATOM 7766 C4* C 0 418 171.206 -39.368 73.156 1.00737.35 C ATOM 7767 O4* C 0 418 171.380 -40.694 72.591 1.00737.35 O ATOM 7768 C3* C 0 418 170.346 -38.633 72.138 1.00737.35 C ATOM 7769 O3* C 0 418 170.547 -37.224 72.211 1.00737.35 O ATOM 7770 C2* C 0 418 170.848 -39.203 70.816 1.00737.35 C ATOM 7771 O2* C 0 418 172.046 -38.600 70.369 1.00737.35 O ATOM 7772 C1* C 0 418 171.112 -40.663 71.199 1.00737.35 C ATOM 7773 N1 C 0 418 169.972 -41.561 70.913 1.00737.35 N ATOM 7774 C2 C 0 418 169.862 -42.134 69.634 1.00737.35 C ATOM 7775 O2 C 0 418 170.723 -41.874 68.777 1.00737.35 O ATOM 7776 N3 C 0 418 168.822 -42.955 69.367 1.00737.35 N ATOM 7777 C4 C 0 418 167.914 -43.213 70.314 1.00737.35 C ATOM 7778 N4 C 0 418 166.903 -44.029 70.004 1.00737.35 N ATOM 7779 C5 C 0 418 168.001 -42.645 71.618 1.00737.35 C ATOM 7780 C6 C 0 418 169.035 -41.834 71.871 1.00737.35 C ATOM 7781 P G 0 419 169.278 -36.232 72.221 1.00737.35 P ATOM 7782 O1P G 0 419 168.104 -36.977 71.696 1.00737.35 O ATOM 7783 O2P G 0 419 169.692 -34.964 71.568 1.00737.35 O ATOM 7784 O5* G 0 419 169.044 -35.931 73.770 1.00737.35 O ATOM 7785 C5* G 0 419 167.752 -36.042 74.360 1.00737.35 C ATOM 7786 C4* G 0 419 167.648 -35.143 75.570 1.00737.35 C ATOM 7787 O4* G 0 419 168.681 -35.508 76.523 1.00737.35 O ATOM 7788 C3* G 0 419 167.881 -33.661 75.307 1.00737.35 C ATOM 7789 O3* G 0 419 166.672 -33.026 74.896 1.00737.35 O ATOM 7790 C2* G 0 419 168.357 -33.159 76.665 1.00737.35 C ATOM 7791 O2* G 0 419 167.300 -32.935 77.576 1.00737.35 O ATOM 7792 C1* G 0 419 169.201 -34.342 77.144 1.00737.35 C ATOM 7793 N9 G 0 419 170.620 -34.232 76.806 1.00737.35 N ATOM 7794 C8 G 0 419 171.319 -34.992 75.897 1.00737.35 C ATOM 7795 N7 G 0 419 172.580 -34.669 75.820 1.00737.35 N ATOM 7796 C5 G 0 419 172.726 -33.629 76.728 1.00737.35 C ATOM 7797 C6 G 0 419 173.874 -32.877 77.083 1.00737.35 C ATOM 7798 O6 G 0 419 175.033 -32.984 76.655 1.00737.35 O ATOM 7799 N1 G 0 419 173.577 -31.912 78.042 1.00737.35 N ATOM 7800 C2 G 0 419 172.337 -31.703 78.595 1.00737.35 C ATOM 7801 N2 G 0 419 172.252 -30.719 79.505 1.00737.35 N ATOM 7802 N3 G 0 419 171.260 -32.403 78.278 1.00737.35 N ATOM 7803 C4 G 0 419 171.526 -33.344 77.343 1.00737.35 C ATOM 7804 P C 0 420 166.731 -31.678 74.021 1.00737.35 P ATOM 7805 O1P C 0 420 165.333 -31.329 73.657 1.00737.35 O ATOM 7806 O2P C 0 420 167.743 -31.852 72.948 1.00737.35 O ATOM 7807 O5* C 0 420 167.268 -30.577 75.039 1.00737.35 O ATOM 7808 C5* C 0 420 166.582 -30.312 76.262 1.00737.35 C ATOM 7809 C4* C 0 420 167.400 -29.387 77.135 1.00737.35 C ATOM 7810 O4* C 0 420 168.684 -30.008 77.416 1.00737.35 O ATOM 7811 C3* C 0 420 167.756 -28.044 76.516 1.00737.35 C ATOM 7812 O3* C 0 420 166.702 -27.106 76.708 1.00737.35 O ATOM 7813 C2* C 0 420 169.013 -27.657 77.287 1.00737.35 C ATOM 7814 O2* C 0 420 168.734 -27.105 78.559 1.00737.35 O ATOM 7815 C1* C 0 420 169.697 -29.016 77.454 1.00737.35 C ATOM 7816 N1 C 0 420 170.693 -29.313 76.402 1.00737.35 N ATOM 7817 C2 C 0 420 172.012 -28.851 76.563 1.00737.35 C ATOM 7818 O2 C 0 420 172.311 -28.205 77.581 1.00737.35 O ATOM 7819 N3 C 0 420 172.926 -29.124 75.604 1.00737.35 N ATOM 7820 C4 C 0 420 172.573 -29.819 74.519 1.00737.35 C ATOM 7821 N4 C 0 420 173.511 -30.062 73.601 1.00737.35 N ATOM 7822 C5 C 0 420 171.243 -30.297 74.330 1.00737.35 C ATOM 7823 C6 C 0 420 170.344 -30.024 75.286 1.00737.35 C ATOM 7824 P G 0 421 166.533 -25.876 75.687 1.00737.35 P ATOM 7825 O1P G 0 421 165.300 -25.144 76.078 1.00737.35 O ATOM 7826 O2P G 0 421 166.672 -26.389 74.300 1.00737.35 O ATOM 7827 O5* G 0 421 167.787 -24.944 76.001 1.00737.35 O ATOM 7828 C5* G 0 421 167.868 -24.205 77.219 1.00737.35 C ATOM 7829 C4* G 0 421 169.172 -23.444 77.281 1.00737.35 C ATOM 7830 O4* G 0 421 170.277 -24.382 77.347 1.00737.35 O ATOM 7831 C3* G 0 421 169.483 -22.571 76.076 1.00737.35 C ATOM 7832 O3* G 0 421 168.858 -21.298 76.198 1.00737.35 O ATOM 7833 C2* G 0 421 171.004 -22.478 76.126 1.00737.35 C ATOM 7834 O2* G 0 421 171.470 -21.511 77.046 1.00737.35 O ATOM 7835 C1* G 0 421 171.379 -23.879 76.609 1.00737.35 C ATOM 7836 N9 G 0 421 171.676 -24.817 75.529 1.00737.35 N ATOM 7837 C8 G 0 421 170.826 -25.753 74.985 1.00737.35 C ATOM 7838 N7 G 0 421 171.377 -26.456 74.035 1.00737.35 N ATOM 7839 C5 G 0 421 172.669 -25.956 73.941 1.00737.35 C ATOM 7840 C6 G 0 421 173.735 -26.327 73.084 1.00737.35 C ATOM 7841 O6 G 0 421 173.754 -27.206 72.211 1.00737.35 O ATOM 7842 N1 G 0 421 174.873 -25.561 73.320 1.00737.35 N ATOM 7843 C2 G 0 421 174.971 -24.566 74.259 1.00737.35 C ATOM 7844 N2 G 0 421 176.155 -23.938 74.332 1.00737.35 N ATOM 7845 N3 G 0 421 173.984 -24.210 75.067 1.00737.35 N ATOM 7846 C4 G 0 421 172.869 -24.942 74.853 1.00737.35 C ATOM 7847 P C 0 422 168.495 -20.457 74.877 1.00737.35 P ATOM 7848 O1P C 0 422 167.729 -19.259 75.313 1.00737.35 O ATOM 7849 O2P C 0 422 167.902 -21.380 73.874 1.00737.35 O ATOM 7850 O5* C 0 422 169.912 -19.972 74.333 1.00737.35 O ATOM 7851 C5* C 0 422 170.704 -19.046 75.073 1.00737.35 C ATOM 7852 C4* C 0 422 172.062 -18.883 74.433 1.00737.35 C ATOM 7853 O4* C 0 422 172.784 -20.140 74.501 1.00737.35 O ATOM 7854 C3* C 0 422 172.059 -18.533 72.953 1.00737.35 C ATOM 7855 O3* C 0 422 171.887 -17.135 72.752 1.00737.35 O ATOM 7856 C2* C 0 422 173.430 -19.020 72.504 1.00737.35 C ATOM 7857 O2* C 0 422 174.471 -18.114 72.816 1.00737.35 O ATOM 7858 C1* C 0 422 173.584 -20.296 73.338 1.00737.35 C ATOM 7859 N1 C 0 422 173.151 -21.516 72.623 1.00737.35 N ATOM 7860 C2 C 0 422 174.086 -22.206 71.830 1.00737.35 C ATOM 7861 O2 C 0 422 175.251 -21.779 71.754 1.00737.35 O ATOM 7862 N3 C 0 422 173.695 -23.318 71.167 1.00737.35 N ATOM 7863 C4 C 0 422 172.434 -23.747 71.270 1.00737.35 C ATOM 7864 N4 C 0 422 172.092 -24.848 70.594 1.00737.35 N ATOM 7865 C5 C 0 422 171.468 -23.070 72.067 1.00737.35 C ATOM 7866 C6 C 0 422 171.865 -21.970 72.720 1.00737.35 C ATOM 7867 P G 0 423 171.269 -16.599 71.367 1.00737.35 P ATOM 7868 O1P G 0 423 171.132 -15.126 71.487 1.00737.35 O ATOM 7869 O2P G 0 423 170.076 -17.421 71.033 1.00737.35 O ATOM 7870 O5* G 0 423 172.405 -16.914 70.296 1.00737.35 O ATOM 7871 C5* G 0 423 173.651 -16.221 70.331 1.00737.35 C ATOM 7872 C4* G 0 423 174.588 -16.766 69.278 1.00737.35 C ATOM 7873 O4* G 0 423 174.945 -18.137 69.600 1.00737.35 O ATOM 7874 C3* G 0 423 174.030 -16.856 67.868 1.00737.35 C ATOM 7875 O3* G 0 423 174.105 -15.604 67.199 1.00737.35 O ATOM 7876 C2* G 0 423 174.940 -17.898 67.232 1.00737.35 C ATOM 7877 O2* G 0 423 176.184 -17.373 66.817 1.00737.35 O ATOM 7878 C1* G 0 423 175.147 -18.868 68.400 1.00737.35 C ATOM 7879 N9 G 0 423 174.219 -19.996 68.371 1.00737.35 N ATOM 7880 C8 G 0 423 173.172 -20.245 69.230 1.00737.35 C ATOM 7881 N7 G 0 423 172.521 -21.339 68.941 1.00737.35 N ATOM 7882 C5 G 0 423 173.175 -21.844 67.827 1.00737.35 C ATOM 7883 C6 G 0 423 172.922 -23.013 67.062 1.00737.35 C ATOM 7884 O6 G 0 423 172.040 -23.864 67.222 1.00737.35 O ATOM 7885 N1 G 0 423 173.829 -23.145 66.015 1.00737.35 N ATOM 7886 C2 G 0 423 174.848 -22.268 65.738 1.00737.35 C ATOM 7887 N2 G 0 423 175.618 -22.565 64.684 1.00737.35 N ATOM 7888 N3 G 0 423 175.095 -21.177 66.442 1.00737.35 N ATOM 7889 C4 G 0 423 174.227 -21.030 67.465 1.00737.35 C ATOM 7890 P G 0 424 172.900 -15.142 66.240 1.00737.35 P ATOM 7891 O1P G 0 424 171.624 -15.553 66.883 1.00737.35 O ATOM 7892 O2P G 0 424 173.204 -15.596 64.860 1.00737.35 O ATOM 7893 O5* G 0 424 172.980 -13.553 66.278 1.00737.35 O ATOM 7894 C5* G 0 424 171.862 -12.752 65.911 1.00737.35 C ATOM 7895 C4* G 0 424 171.217 -12.172 67.146 1.00737.35 C ATOM 7896 O4* G 0 424 172.227 -11.529 67.963 1.00737.35 O ATOM 7897 C3* G 0 424 170.175 -11.094 66.894 1.00737.35 C ATOM 7898 O3* G 0 424 168.895 -11.678 66.665 1.00737.35 O ATOM 7899 C2* G 0 424 170.198 -10.305 68.196 1.00737.35 C ATOM 7900 O2* G 0 424 169.422 -10.900 69.220 1.00737.35 O ATOM 7901 C1* G 0 424 171.682 -10.373 68.577 1.00737.35 C ATOM 7902 N9 G 0 424 172.476 -9.215 68.169 1.00737.35 N ATOM 7903 C8 G 0 424 173.691 -9.228 67.525 1.00737.35 C ATOM 7904 N7 G 0 424 174.166 -8.035 67.297 1.00737.35 N ATOM 7905 C5 G 0 424 173.209 -7.178 67.822 1.00737.35 C ATOM 7906 C6 G 0 424 173.171 -5.761 67.864 1.00737.35 C ATOM 7907 O6 G 0 424 174.008 -4.954 67.436 1.00737.35 O ATOM 7908 N1 G 0 424 172.017 -5.300 68.483 1.00737.35 N ATOM 7909 C2 G 0 424 171.023 -6.095 68.997 1.00737.35 C ATOM 7910 N2 G 0 424 169.985 -5.457 69.558 1.00737.35 N ATOM 7911 N3 G 0 424 171.045 -7.416 68.963 1.00737.35 N ATOM 7912 C4 G 0 424 172.157 -7.888 68.365 1.00737.35 C ATOM 7913 P A 0 425 167.968 -11.137 65.468 1.00737.35 P ATOM 7914 O1P A 0 425 168.357 -11.873 64.238 1.00737.35 O ATOM 7915 O2P A 0 425 168.002 -9.651 65.472 1.00737.35 O ATOM 7916 O5* A 0 425 166.501 -11.604 65.878 1.00737.35 O ATOM 7917 C5* A 0 425 165.909 -11.162 67.098 1.00737.35 C ATOM 7918 C4* A 0 425 164.501 -11.698 67.230 1.00737.35 C ATOM 7919 O4* A 0 425 163.694 -11.214 66.126 1.00737.35 O ATOM 7920 C3* A 0 425 164.351 -13.210 67.166 1.00737.35 C ATOM 7921 O3* A 0 425 164.593 -13.802 68.440 1.00737.35 O ATOM 7922 C2* A 0 425 162.892 -13.366 66.750 1.00737.35 C ATOM 7923 O2* A 0 425 161.988 -13.243 67.830 1.00737.35 O ATOM 7924 C1* A 0 425 162.718 -12.186 65.790 1.00737.35 C ATOM 7925 N9 A 0 425 162.882 -12.550 64.381 1.00737.35 N ATOM 7926 C8 A 0 425 164.038 -12.598 63.642 1.00737.35 C ATOM 7927 N7 A 0 425 163.857 -12.969 62.397 1.00737.35 N ATOM 7928 C5 A 0 425 162.486 -13.179 62.310 1.00737.35 C ATOM 7929 C6 A 0 425 161.657 -13.586 61.250 1.00737.35 C ATOM 7930 N6 A 0 425 162.105 -13.866 60.025 1.00737.35 N ATOM 7931 N1 A 0 425 160.333 -13.696 61.496 1.00737.35 N ATOM 7932 C2 A 0 425 159.884 -13.413 62.724 1.00737.35 C ATOM 7933 N3 A 0 425 160.562 -13.023 63.801 1.00737.35 N ATOM 7934 C4 A 0 425 161.874 -12.924 63.524 1.00737.35 C ATOM 7935 P C 0 426 165.382 -15.200 68.534 1.00737.35 P ATOM 7936 O1P C 0 426 165.303 -15.656 69.946 1.00737.35 O ATOM 7937 O2P C 0 426 166.711 -15.030 67.893 1.00737.35 O ATOM 7938 O5* C 0 426 164.521 -16.197 67.638 1.00737.35 O ATOM 7939 C5* C 0 426 163.166 -16.497 67.964 1.00737.35 C ATOM 7940 C4* C 0 426 162.489 -17.192 66.802 1.00737.35 C ATOM 7941 O4* C 0 426 162.497 -16.308 65.649 1.00737.35 O ATOM 7942 C3* C 0 426 163.164 -18.464 66.313 1.00737.35 C ATOM 7943 O3* C 0 426 162.740 -19.591 67.075 1.00737.35 O ATOM 7944 C2* C 0 426 162.698 -18.541 64.862 1.00737.35 C ATOM 7945 O2* C 0 426 161.394 -19.073 64.725 1.00737.35 O ATOM 7946 C1* C 0 426 162.702 -17.064 64.465 1.00737.35 C ATOM 7947 N1 C 0 426 163.964 -16.620 63.835 1.00737.35 N ATOM 7948 C2 C 0 426 164.131 -16.792 62.448 1.00737.35 C ATOM 7949 O2 C 0 426 163.216 -17.315 61.786 1.00737.35 O ATOM 7950 N3 C 0 426 165.282 -16.386 61.869 1.00737.35 N ATOM 7951 C4 C 0 426 166.245 -15.832 62.610 1.00737.35 C ATOM 7952 N4 C 0 426 167.364 -15.446 61.993 1.00737.35 N ATOM 7953 C5 C 0 426 166.103 -15.648 64.016 1.00737.35 C ATOM 7954 C6 C 0 426 164.960 -16.052 64.581 1.00737.35 C ATOM 7955 P C 0 427 163.663 -20.906 67.140 1.00737.35 P ATOM 7956 O1P C 0 427 163.099 -21.785 68.198 1.00737.35 O ATOM 7957 O2P C 0 427 165.084 -20.487 67.216 1.00737.35 O ATOM 7958 O5* C 0 427 163.427 -21.612 65.730 1.00737.35 O ATOM 7959 C5* C 0 427 162.169 -22.204 65.404 1.00737.35 C ATOM 7960 C4* C 0 427 162.225 -22.841 64.035 1.00737.35 C ATOM 7961 O4* C 0 427 162.453 -21.813 63.035 1.00737.35 O ATOM 7962 C3* C 0 427 163.350 -23.841 63.814 1.00737.35 C ATOM 7963 O3* C 0 427 162.975 -25.135 64.282 1.00737.35 O ATOM 7964 C2* C 0 427 163.521 -23.809 62.302 1.00737.35 C ATOM 7965 O2* C 0 427 162.574 -24.602 61.614 1.00737.35 O ATOM 7966 C1* C 0 427 163.274 -22.328 61.998 1.00737.35 C ATOM 7967 N1 C 0 427 164.507 -21.516 61.923 1.00737.35 N ATOM 7968 C2 C 0 427 165.203 -21.445 60.703 1.00737.35 C ATOM 7969 O2 C 0 427 164.770 -22.070 59.719 1.00737.35 O ATOM 7970 N3 C 0 427 166.330 -20.700 60.632 1.00737.35 N ATOM 7971 C4 C 0 427 166.769 -20.044 61.707 1.00737.35 C ATOM 7972 N4 C 0 427 167.884 -19.318 61.587 1.00737.35 N ATOM 7973 C5 C 0 427 166.086 -20.099 62.956 1.00737.35 C ATOM 7974 C6 C 0 427 164.971 -20.841 63.020 1.00737.35 C ATOM 7975 P A 0 428 164.098 -26.136 64.854 1.00737.35 P ATOM 7976 O1P A 0 428 163.387 -27.277 65.482 1.00737.35 O ATOM 7977 O2P A 0 428 165.071 -25.348 65.655 1.00737.35 O ATOM 7978 O5* A 0 428 164.844 -26.666 63.548 1.00737.35 O ATOM 7979 C5* A 0 428 164.226 -27.616 62.680 1.00737.35 C ATOM 7980 C4* A 0 428 165.076 -27.833 61.448 1.00737.35 C ATOM 7981 O4* A 0 428 165.164 -26.588 60.705 1.00737.35 O ATOM 7982 C3* A 0 428 166.521 -28.231 61.706 1.00737.35 C ATOM 7983 O3* A 0 428 166.643 -29.640 61.881 1.00737.35 O ATOM 7984 C2* A 0 428 167.218 -27.754 60.435 1.00737.35 C ATOM 7985 O2* A 0 428 167.066 -28.647 59.351 1.00737.35 O ATOM 7986 C1* A 0 428 166.460 -26.454 60.148 1.00737.35 C ATOM 7987 N9 A 0 428 167.094 -25.272 60.736 1.00737.35 N ATOM 7988 C8 A 0 428 166.801 -24.666 61.935 1.00737.35 C ATOM 7989 N7 A 0 428 167.542 -23.616 62.192 1.00737.35 N ATOM 7990 C5 A 0 428 168.380 -23.523 61.091 1.00737.35 C ATOM 7991 C6 A 0 428 169.403 -22.619 60.758 1.00737.35 C ATOM 7992 N6 A 0 428 169.763 -21.594 61.534 1.00737.35 N ATOM 7993 N1 A 0 428 170.049 -22.805 59.587 1.00737.35 N ATOM 7994 C2 A 0 428 169.684 -23.833 58.811 1.00737.35 C ATOM 7995 N3 A 0 428 168.741 -24.750 59.016 1.00737.35 N ATOM 7996 C4 A 0 428 168.118 -24.537 60.187 1.00737.35 C ATOM 7997 P C 0 429 167.860 -30.233 62.750 1.00737.35 P ATOM 7998 O1P C 0 429 167.684 -31.707 62.803 1.00737.35 O ATOM 7999 O2P C 0 429 167.958 -29.461 64.016 1.00737.35 O ATOM 8000 O5* C 0 429 169.153 -29.917 61.872 1.00737.35 O ATOM 8001 C5* C 0 429 169.376 -30.576 60.626 1.00737.35 C ATOM 8002 C4* C 0 429 170.615 -30.028 59.956 1.00737.35 C ATOM 8003 O4* C 0 429 170.414 -28.623 59.649 1.00737.35 O ATOM 8004 C3* C 0 429 171.888 -30.057 60.789 1.00737.35 C ATOM 8005 O3* C 0 429 172.538 -31.321 60.685 1.00737.35 O ATOM 8006 C2* C 0 429 172.714 -28.943 60.159 1.00737.35 C ATOM 8007 O2* C 0 429 173.383 -29.345 58.978 1.00737.35 O ATOM 8008 C1* C 0 429 171.633 -27.916 59.815 1.00737.35 C ATOM 8009 N1 C 0 429 171.442 -26.878 60.851 1.00737.35 N ATOM 8010 C2 C 0 429 172.312 -25.771 60.879 1.00737.35 C ATOM 8011 O2 C 0 429 173.229 -25.697 60.041 1.00737.35 O ATOM 8012 N3 C 0 429 172.134 -24.817 61.818 1.00737.35 N ATOM 8013 C4 C 0 429 171.144 -24.928 62.707 1.00737.35 C ATOM 8014 N4 C 0 429 171.006 -23.958 63.612 1.00737.35 N ATOM 8015 C5 C 0 429 170.251 -26.040 62.706 1.00737.35 C ATOM 8016 C6 C 0 429 170.434 -26.981 61.772 1.00737.35 C ATOM 8017 P C 0 430 173.391 -31.890 61.925 1.00737.35 P ATOM 8018 O1P C 0 430 173.908 -33.225 61.527 1.00737.35 O ATOM 8019 O2P C 0 430 172.571 -31.762 63.158 1.00737.35 O ATOM 8020 O5* C 0 430 174.627 -30.890 62.042 1.00737.35 O ATOM 8021 C5* C 0 430 175.589 -30.785 60.994 1.00737.35 C ATOM 8022 C4* C 0 430 176.389 -29.510 61.140 1.00737.35 C ATOM 8023 O4* C 0 430 175.484 -28.377 61.073 1.00737.35 O ATOM 8024 C3* C 0 430 177.119 -29.332 62.462 1.00737.35 C ATOM 8025 O3* C 0 430 178.389 -29.978 62.442 1.00737.35 O ATOM 8026 C2* C 0 430 177.255 -27.818 62.555 1.00737.35 C ATOM 8027 O2* C 0 430 178.317 -27.305 61.778 1.00737.35 O ATOM 8028 C1* C 0 430 175.916 -27.362 61.968 1.00737.35 C ATOM 8029 N1 C 0 430 174.871 -27.154 62.991 1.00737.35 N ATOM 8030 C2 C 0 430 174.747 -25.889 63.582 1.00737.35 C ATOM 8031 O2 C 0 430 175.509 -24.976 63.224 1.00737.35 O ATOM 8032 N3 C 0 430 173.802 -25.694 64.531 1.00737.35 N ATOM 8033 C4 C 0 430 172.998 -26.695 64.892 1.00737.35 C ATOM 8034 N4 C 0 430 172.081 -26.455 65.833 1.00737.35 N ATOM 8035 C5 C 0 430 173.100 -27.990 64.302 1.00737.35 C ATOM 8036 C6 C 0 430 174.040 -28.173 63.367 1.00737.35 C ATOM 8037 P G 0 431 179.100 -30.381 63.828 1.00737.35 P ATOM 8038 O1P G 0 431 180.356 -31.099 63.486 1.00737.35 O ATOM 8039 O2P G 0 431 178.096 -31.040 64.701 1.00737.35 O ATOM 8040 O5* G 0 431 179.488 -28.981 64.485 1.00737.35 O ATOM 8041 C5* G 0 431 180.519 -28.170 63.925 1.00737.35 C ATOM 8042 C4* G 0 431 180.666 -26.884 64.711 1.00737.35 C ATOM 8043 O4* G 0 431 179.449 -26.101 64.592 1.00737.35 O ATOM 8044 C3* G 0 431 180.867 -27.041 66.211 1.00737.35 C ATOM 8045 O3* G 0 431 182.236 -27.276 66.521 1.00737.35 O ATOM 8046 C2* G 0 431 180.382 -25.697 66.743 1.00737.35 C ATOM 8047 O2* G 0 431 181.353 -24.673 66.636 1.00737.35 O ATOM 8048 C1* G 0 431 179.211 -25.400 65.803 1.00737.35 C ATOM 8049 N9 G 0 431 177.914 -25.817 66.335 1.00737.35 N ATOM 8050 C8 G 0 431 177.224 -26.969 66.039 1.00737.35 C ATOM 8051 N7 G 0 431 176.086 -27.062 66.671 1.00737.35 N ATOM 8052 C5 G 0 431 176.018 -25.904 67.431 1.00737.35 C ATOM 8053 C6 G 0 431 175.014 -25.449 68.324 1.00737.35 C ATOM 8054 O6 G 0 431 173.947 -25.994 68.631 1.00737.35 O ATOM 8055 N1 G 0 431 175.349 -24.220 68.888 1.00737.35 N ATOM 8056 C2 G 0 431 176.500 -23.520 68.626 1.00737.35 C ATOM 8057 N2 G 0 431 176.640 -22.351 69.272 1.00737.35 N ATOM 8058 N3 G 0 431 177.442 -23.932 67.795 1.00737.35 N ATOM 8059 C4 G 0 431 177.139 -25.124 67.237 1.00737.35 C ATOM 8060 P C 0 432 182.630 -28.043 67.881 1.00737.35 P ATOM 8061 O1P C 0 432 184.090 -28.307 67.830 1.00737.35 O ATOM 8062 O2P C 0 432 181.687 -29.175 68.076 1.00737.35 O ATOM 8063 O5* C 0 432 182.358 -26.966 69.024 1.00737.35 O ATOM 8064 C5* C 0 432 183.151 -25.784 69.120 1.00737.35 C ATOM 8065 C4* C 0 432 182.564 -24.836 70.142 1.00737.35 C ATOM 8066 O4* C 0 432 181.237 -24.428 69.711 1.00737.35 O ATOM 8067 C3* C 0 432 182.348 -25.403 71.536 1.00737.35 C ATOM 8068 O3* C 0 432 183.542 -25.340 72.311 1.00737.35 O ATOM 8069 C2* C 0 432 181.260 -24.490 72.087 1.00737.35 C ATOM 8070 O2* C 0 432 181.757 -23.252 72.555 1.00737.35 O ATOM 8071 C1* C 0 432 180.398 -24.264 70.844 1.00737.35 C ATOM 8072 N1 C 0 432 179.266 -25.208 70.738 1.00737.35 N ATOM 8073 C2 C 0 432 178.066 -24.912 71.412 1.00737.35 C ATOM 8074 O2 C 0 432 177.985 -23.866 72.076 1.00737.35 O ATOM 8075 N3 C 0 432 177.029 -25.777 71.321 1.00737.35 N ATOM 8076 C4 C 0 432 177.150 -26.895 70.602 1.00737.35 C ATOM 8077 N4 C 0 432 176.102 -27.717 70.545 1.00737.35 N ATOM 8078 C5 C 0 432 178.354 -27.220 69.911 1.00737.35 C ATOM 8079 C6 C 0 432 179.374 -26.358 70.003 1.00737.35 C ATOM 8080 P G 0 433 183.742 -26.336 73.557 1.00737.35 P ATOM 8081 O1P G 0 433 185.124 -26.137 74.061 1.00737.35 O ATOM 8082 O2P G 0 433 183.295 -27.696 73.156 1.00737.35 O ATOM 8083 O5* G 0 433 182.730 -25.785 74.660 1.00737.35 O ATOM 8084 C5* G 0 433 182.841 -24.454 75.159 1.00737.35 C ATOM 8085 C4* G 0 433 181.594 -24.065 75.915 1.00737.35 C ATOM 8086 O4* G 0 433 180.447 -24.162 75.028 1.00737.35 O ATOM 8087 C3* G 0 433 181.227 -24.943 77.102 1.00737.35 C ATOM 8088 O3* G 0 433 181.935 -24.535 78.271 1.00737.35 O ATOM 8089 C2* G 0 433 179.728 -24.697 77.230 1.00737.35 C ATOM 8090 O2* G 0 433 179.414 -23.497 77.909 1.00737.35 O ATOM 8091 C1* G 0 433 179.309 -24.587 75.762 1.00737.35 C ATOM 8092 N9 G 0 433 178.825 -25.845 75.193 1.00737.35 N ATOM 8093 C8 G 0 433 179.407 -26.584 74.189 1.00737.35 C ATOM 8094 N7 G 0 433 178.734 -27.663 73.890 1.00737.35 N ATOM 8095 C5 G 0 433 177.643 -27.638 74.750 1.00737.35 C ATOM 8096 C6 G 0 433 176.564 -28.548 74.891 1.00737.35 C ATOM 8097 O6 G 0 433 176.347 -29.593 74.263 1.00737.35 O ATOM 8098 N1 G 0 433 175.680 -28.142 75.885 1.00737.35 N ATOM 8099 C2 G 0 433 175.812 -27.006 76.644 1.00737.35 C ATOM 8100 N2 G 0 433 174.852 -26.788 77.556 1.00737.35 N ATOM 8101 N3 G 0 433 176.813 -26.148 76.521 1.00737.35 N ATOM 8102 C4 G 0 433 177.686 -26.524 75.562 1.00737.35 C ATOM 8103 P C 0 434 181.873 -25.440 79.599 1.00737.35 P ATOM 8104 O1P C 0 434 182.753 -24.799 80.611 1.00737.35 O ATOM 8105 O2P C 0 434 182.106 -26.858 79.220 1.00737.35 O ATOM 8106 O5* C 0 434 180.366 -25.290 80.091 1.00737.35 O ATOM 8107 C5* C 0 434 179.895 -25.977 81.247 1.00737.35 C ATOM 8108 C4* C 0 434 178.386 -25.920 81.305 1.00737.35 C ATOM 8109 O4* C 0 434 177.838 -26.475 80.083 1.00737.35 O ATOM 8110 C3* C 0 434 177.745 -26.736 82.419 1.00737.35 C ATOM 8111 O3* C 0 434 177.681 -25.976 83.620 1.00737.35 O ATOM 8112 C2* C 0 434 176.352 -27.009 81.863 1.00737.35 C ATOM 8113 O2* C 0 434 175.460 -25.928 82.048 1.00737.35 O ATOM 8114 C1* C 0 434 176.642 -27.185 80.371 1.00737.35 C ATOM 8115 N1 C 0 434 176.810 -28.590 79.944 1.00737.35 N ATOM 8116 C2 C 0 434 175.669 -29.405 79.820 1.00737.35 C ATOM 8117 O2 C 0 434 174.549 -28.931 80.092 1.00737.35 O ATOM 8118 N3 C 0 434 175.815 -30.686 79.411 1.00737.35 N ATOM 8119 C4 C 0 434 177.028 -31.163 79.131 1.00737.35 C ATOM 8120 N4 C 0 434 177.118 -32.430 78.718 1.00737.35 N ATOM 8121 C5 C 0 434 178.202 -30.366 79.257 1.00737.35 C ATOM 8122 C6 C 0 434 178.049 -29.099 79.663 1.00737.35 C ATOM 8123 P A 0 435 177.775 -26.720 85.044 1.00737.35 P ATOM 8124 O1P A 0 435 179.208 -27.028 85.291 1.00737.35 O ATOM 8125 O2P A 0 435 176.772 -27.814 85.073 1.00737.35 O ATOM 8126 O5* A 0 435 177.321 -25.601 86.084 1.00737.35 O ATOM 8127 C5* A 0 435 177.985 -24.341 86.142 1.00737.35 C ATOM 8128 C4* A 0 435 176.975 -23.219 86.235 1.00737.35 C ATOM 8129 O4* A 0 435 176.145 -23.225 85.042 1.00737.35 O ATOM 8130 C3* A 0 435 175.986 -23.311 87.385 1.00737.35 C ATOM 8131 O3* A 0 435 176.541 -22.754 88.575 1.00737.35 O ATOM 8132 C2* A 0 435 174.808 -22.489 86.869 1.00737.35 C ATOM 8133 O2* A 0 435 174.992 -21.095 87.025 1.00737.35 O ATOM 8134 C1* A 0 435 174.819 -22.849 85.382 1.00737.35 C ATOM 8135 N9 A 0 435 173.921 -23.955 85.041 1.00737.35 N ATOM 8136 C8 A 0 435 174.195 -25.302 85.061 1.00737.35 C ATOM 8137 N7 A 0 435 173.181 -26.054 84.704 1.00737.35 N ATOM 8138 C5 A 0 435 172.172 -25.140 84.431 1.00737.35 C ATOM 8139 C6 A 0 435 170.842 -25.302 84.002 1.00737.35 C ATOM 8140 N6 A 0 435 170.279 -26.490 83.766 1.00737.35 N ATOM 8141 N1 A 0 435 170.101 -24.188 83.821 1.00737.35 N ATOM 8142 C2 A 0 435 170.665 -22.998 84.059 1.00737.35 C ATOM 8143 N3 A 0 435 171.901 -22.718 84.463 1.00737.35 N ATOM 8144 C4 A 0 435 172.613 -23.846 84.632 1.00737.35 C ATOM 8145 P A 0 436 176.042 -23.282 90.010 1.00737.35 P ATOM 8146 O1P A 0 436 176.810 -22.539 91.040 1.00737.35 O ATOM 8147 O2P A 0 436 176.070 -24.768 90.004 1.00737.35 O ATOM 8148 O5* A 0 436 174.521 -22.813 90.087 1.00737.35 O ATOM 8149 C5* A 0 436 174.181 -21.429 90.107 1.00737.35 C ATOM 8150 C4* A 0 436 172.682 -21.256 90.156 1.00737.35 C ATOM 8151 O4* A 0 436 172.095 -21.818 88.953 1.00737.35 O ATOM 8152 C3* A 0 436 171.974 -21.978 91.292 1.00737.35 C ATOM 8153 O3* A 0 436 171.994 -21.191 92.479 1.00737.35 O ATOM 8154 C2* A 0 436 170.560 -22.140 90.743 1.00737.35 C ATOM 8155 O2* A 0 436 169.769 -20.975 90.890 1.00737.35 O ATOM 8156 C1* A 0 436 170.834 -22.389 89.256 1.00737.35 C ATOM 8157 N9 A 0 436 170.867 -23.806 88.889 1.00737.35 N ATOM 8158 C8 A 0 436 171.896 -24.703 89.049 1.00737.35 C ATOM 8159 N7 A 0 436 171.621 -25.907 88.611 1.00737.35 N ATOM 8160 C5 A 0 436 170.326 -25.799 88.130 1.00737.35 C ATOM 8161 C6 A 0 436 169.457 -26.731 87.530 1.00737.35 C ATOM 8162 N6 A 0 436 169.781 -28.005 87.302 1.00737.35 N ATOM 8163 N1 A 0 436 168.230 -26.300 87.165 1.00737.35 N ATOM 8164 C2 A 0 436 167.908 -25.021 87.391 1.00737.35 C ATOM 8165 N3 A 0 436 168.633 -24.053 87.942 1.00737.35 N ATOM 8166 C4 A 0 436 169.848 -24.512 88.297 1.00737.35 C ATOM 8167 P G 0 437 172.124 -21.906 93.913 1.00737.35 P ATOM 8168 O1P G 0 437 171.109 -22.990 93.970 1.00737.35 O ATOM 8169 O2P G 0 437 172.127 -20.848 94.957 1.00737.35 O ATOM 8170 O5* G 0 437 173.567 -22.585 93.886 1.00737.35 O ATOM 8171 C5* G 0 437 174.740 -21.819 93.621 1.00737.35 C ATOM 8172 C4* G 0 437 175.788 -22.084 94.675 1.00737.35 C ATOM 8173 O4* G 0 437 176.034 -23.512 94.765 1.00737.35 O ATOM 8174 C3* G 0 437 177.160 -21.482 94.416 1.00737.35 C ATOM 8175 O3* G 0 437 177.220 -20.120 94.834 1.00737.35 O ATOM 8176 C2* G 0 437 178.064 -22.377 95.257 1.00737.35 C ATOM 8177 O2* G 0 437 178.061 -22.040 96.630 1.00737.35 O ATOM 8178 C1* G 0 437 177.403 -23.744 95.060 1.00737.35 C ATOM 8179 N9 G 0 437 177.990 -24.526 93.972 1.00737.35 N ATOM 8180 C8 G 0 437 177.353 -25.012 92.856 1.00737.35 C ATOM 8181 N7 G 0 437 178.145 -25.675 92.059 1.00737.35 N ATOM 8182 C5 G 0 437 179.383 -25.627 92.686 1.00737.35 C ATOM 8183 C6 G 0 437 180.635 -26.171 92.294 1.00737.35 C ATOM 8184 O6 G 0 437 180.908 -26.828 91.280 1.00737.35 O ATOM 8185 N1 G 0 437 181.629 -25.883 93.224 1.00737.35 N ATOM 8186 C2 G 0 437 181.446 -25.168 94.382 1.00737.35 C ATOM 8187 N2 G 0 437 182.532 -24.996 95.152 1.00737.35 N ATOM 8188 N3 G 0 437 180.287 -24.658 94.757 1.00737.35 N ATOM 8189 C4 G 0 437 179.306 -24.923 93.869 1.00737.35 C ATOM 8190 P G 0 438 178.372 -19.156 94.257 1.00737.35 P ATOM 8191 O1P G 0 438 178.001 -17.764 94.623 1.00737.35 O ATOM 8192 O2P G 0 438 178.615 -19.498 92.831 1.00737.35 O ATOM 8193 O5* G 0 438 179.669 -19.554 95.095 1.00737.35 O ATOM 8194 C5* G 0 438 179.671 -19.477 96.518 1.00737.35 C ATOM 8195 C4* G 0 438 181.035 -19.826 97.072 1.00737.35 C ATOM 8196 O4* G 0 438 181.389 -21.179 96.679 1.00737.35 O ATOM 8197 C3* G 0 438 182.207 -18.988 96.585 1.00737.35 C ATOM 8198 O3* G 0 438 182.301 -17.767 97.315 1.00737.35 O ATOM 8199 C2* G 0 438 183.392 -19.905 96.865 1.00737.35 C ATOM 8200 O2* G 0 438 183.811 -19.874 98.215 1.00737.35 O ATOM 8201 C1* G 0 438 182.800 -21.279 96.544 1.00737.35 C ATOM 8202 N9 G 0 438 183.118 -21.752 95.199 1.00737.35 N ATOM 8203 C8 G 0 438 182.313 -21.708 94.083 1.00737.35 C ATOM 8204 N7 G 0 438 182.882 -22.208 93.021 1.00737.35 N ATOM 8205 C5 G 0 438 184.138 -22.607 93.457 1.00737.35 C ATOM 8206 C6 G 0 438 185.207 -23.220 92.749 1.00737.35 C ATOM 8207 O6 G 0 438 185.259 -23.545 91.557 1.00737.35 O ATOM 8208 N1 G 0 438 186.301 -23.453 93.577 1.00737.35 N ATOM 8209 C2 G 0 438 186.364 -23.138 94.913 1.00737.35 C ATOM 8210 N2 G 0 438 187.508 -23.444 95.540 1.00737.35 N ATOM 8211 N3 G 0 438 185.376 -22.570 95.584 1.00737.35 N ATOM 8212 C4 G 0 438 184.301 -22.333 94.798 1.00737.35 C ATOM 8213 P C 0 439 183.213 -16.565 96.756 1.00737.35 P ATOM 8214 O1P C 0 439 182.854 -15.348 97.526 1.00737.35 O ATOM 8215 O2P C 0 439 183.122 -16.545 95.272 1.00737.35 O ATOM 8216 O5* C 0 439 184.696 -16.988 97.159 1.00737.35 O ATOM 8217 C5* C 0 439 185.077 -17.111 98.528 1.00737.35 C ATOM 8218 C4* C 0 439 186.469 -17.693 98.641 1.00737.35 C ATOM 8219 O4* C 0 439 186.487 -19.016 98.043 1.00737.35 O ATOM 8220 C3* C 0 439 187.569 -16.933 97.913 1.00737.35 C ATOM 8221 O3* C 0 439 188.072 -15.870 98.718 1.00737.35 O ATOM 8222 C2* C 0 439 188.620 -18.019 97.703 1.00737.35 C ATOM 8223 O2* C 0 439 189.420 -18.246 98.847 1.00737.35 O ATOM 8224 C1* C 0 439 187.747 -19.246 97.431 1.00737.35 C ATOM 8225 N1 C 0 439 187.537 -19.524 95.996 1.00737.35 N ATOM 8226 C2 C 0 439 188.518 -20.249 95.289 1.00737.35 C ATOM 8227 O2 C 0 439 189.535 -20.639 95.887 1.00737.35 O ATOM 8228 N3 C 0 439 188.327 -20.506 93.975 1.00737.35 N ATOM 8229 C4 C 0 439 187.223 -20.073 93.361 1.00737.35 C ATOM 8230 N4 C 0 439 187.079 -20.351 92.063 1.00737.35 N ATOM 8231 C5 C 0 439 186.217 -19.335 94.051 1.00737.35 C ATOM 8232 C6 C 0 439 186.412 -19.085 95.351 1.00737.35 C ATOM 8233 P U 0 440 188.526 -14.488 98.027 1.00737.35 P ATOM 8234 O1P U 0 440 189.068 -13.618 99.100 1.00737.35 O ATOM 8235 O2P U 0 440 187.408 -13.998 97.180 1.00737.35 O ATOM 8236 O5* U 0 440 189.730 -14.904 97.068 1.00737.35 O ATOM 8237 C5* U 0 440 190.916 -15.502 97.593 1.00737.35 C ATOM 8238 C4* U 0 440 191.663 -16.228 96.497 1.00737.35 C ATOM 8239 O4* U 0 440 190.794 -17.246 95.933 1.00737.35 O ATOM 8240 C3* U 0 440 192.084 -15.375 95.307 1.00737.35 C ATOM 8241 O3* U 0 440 193.355 -14.772 95.551 1.00737.35 O ATOM 8242 C2* U 0 440 192.163 -16.399 94.182 1.00737.35 C ATOM 8243 O2* U 0 440 193.372 -17.127 94.189 1.00737.35 O ATOM 8244 C1* U 0 440 191.010 -17.340 94.535 1.00737.35 C ATOM 8245 N1 U 0 440 189.745 -17.045 93.839 1.00737.35 N ATOM 8246 C2 U 0 440 189.596 -17.505 92.537 1.00737.35 C ATOM 8247 O2 U 0 440 190.464 -18.133 91.947 1.00737.35 O ATOM 8248 N3 U 0 440 188.396 -17.199 91.947 1.00737.35 N ATOM 8249 C4 U 0 440 187.347 -16.499 92.507 1.00737.35 C ATOM 8250 O4 U 0 440 186.326 -16.306 91.846 1.00737.35 O ATOM 8251 C5 U 0 440 187.573 -16.057 93.849 1.00737.35 C ATOM 8252 C6 U 0 440 188.733 -16.335 94.453 1.00737.35 C ATOM 8253 P A 0 441 193.746 -13.397 94.811 1.00737.35 P ATOM 8254 O1P A 0 441 192.999 -12.290 95.458 1.00737.35 O ATOM 8255 O2P A 0 441 193.607 -13.618 93.350 1.00737.35 O ATOM 8256 O5* A 0 441 195.299 -13.213 95.130 1.00737.35 O ATOM 8257 C5* A 0 441 195.752 -12.981 96.460 1.00737.35 C ATOM 8258 C4* A 0 441 197.263 -13.062 96.530 1.00737.35 C ATOM 8259 O4* A 0 441 197.693 -14.391 96.129 1.00737.35 O ATOM 8260 C3* A 0 441 198.040 -12.135 95.608 1.00737.35 C ATOM 8261 O3* A 0 441 198.184 -10.836 96.176 1.00737.35 O ATOM 8262 C2* A 0 441 199.388 -12.842 95.511 1.00737.35 C ATOM 8263 O2* A 0 441 200.230 -12.592 96.618 1.00737.35 O ATOM 8264 C1* A 0 441 198.964 -14.312 95.503 1.00737.35 C ATOM 8265 N9 A 0 441 198.860 -14.871 94.154 1.00737.35 N ATOM 8266 C8 A 0 441 197.887 -14.638 93.215 1.00737.35 C ATOM 8267 N7 A 0 441 198.073 -15.282 92.088 1.00737.35 N ATOM 8268 C5 A 0 441 199.247 -15.989 92.301 1.00737.35 C ATOM 8269 C6 A 0 441 199.983 -16.867 91.484 1.00737.35 C ATOM 8270 N6 A 0 441 199.631 -17.194 90.238 1.00737.35 N ATOM 8271 N1 A 0 441 201.110 -17.405 91.997 1.00737.35 N ATOM 8272 C2 A 0 441 201.465 -17.077 93.246 1.00737.35 C ATOM 8273 N3 A 0 441 200.859 -16.266 94.109 1.00737.35 N ATOM 8274 C4 A 0 441 199.742 -15.748 93.569 1.00737.35 C ATOM 8275 P A 0 442 198.124 -9.538 95.226 1.00737.35 P ATOM 8276 O1P A 0 442 198.581 -8.365 96.017 1.00737.35 O ATOM 8277 O2P A 0 442 196.780 -9.514 94.593 1.00737.35 O ATOM 8278 O5* A 0 442 199.200 -9.828 94.085 1.00737.35 O ATOM 8279 C5* A 0 442 200.587 -9.955 94.394 1.00737.35 C ATOM 8280 C4* A 0 442 201.329 -10.572 93.228 1.00737.35 C ATOM 8281 O4* A 0 442 200.761 -11.879 92.949 1.00737.35 O ATOM 8282 C3* A 0 442 201.229 -9.822 91.908 1.00737.35 C ATOM 8283 O3* A 0 442 202.232 -8.813 91.816 1.00737.35 O ATOM 8284 C2* A 0 442 201.458 -10.931 90.887 1.00737.35 C ATOM 8285 O2* A 0 442 202.825 -11.253 90.712 1.00737.35 O ATOM 8286 C1* A 0 442 200.734 -12.103 91.551 1.00737.35 C ATOM 8287 N9 A 0 442 199.335 -12.229 91.132 1.00737.35 N ATOM 8288 C8 A 0 442 198.235 -11.602 91.668 1.00737.35 C ATOM 8289 N7 A 0 442 197.109 -11.912 91.076 1.00737.35 N ATOM 8290 C5 A 0 442 197.488 -12.803 90.085 1.00737.35 C ATOM 8291 C6 A 0 442 196.753 -13.500 89.108 1.00737.35 C ATOM 8292 N6 A 0 442 195.431 -13.398 88.968 1.00737.35 N ATOM 8293 N1 A 0 442 197.435 -14.310 88.270 1.00737.35 N ATOM 8294 C2 A 0 442 198.762 -14.410 88.412 1.00737.35 C ATOM 8295 N3 A 0 442 199.564 -13.808 89.289 1.00737.35 N ATOM 8296 C4 A 0 442 198.856 -13.008 90.107 1.00737.35 C ATOM 8297 P A 0 443 201.958 -7.490 90.941 1.00737.35 P ATOM 8298 O1P A 0 443 203.215 -6.696 90.915 1.00737.35 O ATOM 8299 O2P A 0 443 200.709 -6.870 91.455 1.00737.35 O ATOM 8300 O5* A 0 443 201.664 -8.044 89.475 1.00737.35 O ATOM 8301 C5* A 0 443 202.428 -7.606 88.351 1.00737.35 C ATOM 8302 C4* A 0 443 201.512 -7.136 87.244 1.00737.35 C ATOM 8303 O4* A 0 443 200.705 -8.248 86.773 1.00737.35 O ATOM 8304 C3* A 0 443 200.507 -6.069 87.647 1.00737.35 C ATOM 8305 O3* A 0 443 201.097 -4.774 87.539 1.00737.35 O ATOM 8306 C2* A 0 443 199.381 -6.275 86.638 1.00737.35 C ATOM 8307 O2* A 0 443 199.634 -5.661 85.390 1.00737.35 O ATOM 8308 C1* A 0 443 199.393 -7.797 86.473 1.00737.35 C ATOM 8309 N9 A 0 443 198.454 -8.515 87.341 1.00737.35 N ATOM 8310 C8 A 0 443 198.767 -9.392 88.352 1.00737.35 C ATOM 8311 N7 A 0 443 197.722 -9.909 88.946 1.00737.35 N ATOM 8312 C5 A 0 443 196.645 -9.332 88.291 1.00737.35 C ATOM 8313 C6 A 0 443 195.257 -9.477 88.453 1.00737.35 C ATOM 8314 N6 A 0 443 194.709 -10.295 89.355 1.00737.35 N ATOM 8315 N1 A 0 443 194.447 -8.754 87.645 1.00737.35 N ATOM 8316 C2 A 0 443 195.011 -7.951 86.733 1.00737.35 C ATOM 8317 N3 A 0 443 196.304 -7.736 86.479 1.00737.35 N ATOM 8318 C4 A 0 443 197.078 -8.466 87.304 1.00737.35 C ATOM 8319 P U 0 444 200.579 -3.580 88.483 1.00737.35 P ATOM 8320 O1P U 0 444 201.452 -2.400 88.252 1.00737.35 O ATOM 8321 O2P U 0 444 200.428 -4.120 89.858 1.00737.35 O ATOM 8322 O5* U 0 444 199.126 -3.246 87.921 1.00737.35 O ATOM 8323 C5* U 0 444 198.940 -2.810 86.575 1.00737.35 C ATOM 8324 C4* U 0 444 197.561 -2.221 86.404 1.00737.35 C ATOM 8325 O4* U 0 444 196.569 -3.249 86.664 1.00737.35 O ATOM 8326 C3* U 0 444 197.214 -1.098 87.369 1.00737.35 C ATOM 8327 O3* U 0 444 197.668 0.156 86.872 1.00737.35 O ATOM 8328 C2* U 0 444 195.693 -1.174 87.426 1.00737.35 C ATOM 8329 O2* U 0 444 195.060 -0.547 86.330 1.00737.35 O ATOM 8330 C1* U 0 444 195.467 -2.686 87.360 1.00737.35 C ATOM 8331 N1 U 0 444 195.366 -3.334 88.680 1.00737.35 N ATOM 8332 C2 U 0 444 194.155 -3.248 89.353 1.00737.35 C ATOM 8333 O2 U 0 444 193.182 -2.661 88.909 1.00737.35 O ATOM 8334 N3 U 0 444 194.128 -3.879 90.574 1.00737.35 N ATOM 8335 C4 U 0 444 195.159 -4.571 91.179 1.00737.35 C ATOM 8336 O4 U 0 444 194.974 -5.093 92.279 1.00737.35 O ATOM 8337 C5 U 0 444 196.373 -4.609 90.425 1.00737.35 C ATOM 8338 C6 U 0 444 196.434 -4.007 89.235 1.00737.35 C ATOM 8339 P A 0 445 198.181 1.284 87.899 1.00737.35 P ATOM 8340 O1P A 0 445 198.576 2.468 87.090 1.00737.35 O ATOM 8341 O2P A 0 445 199.165 0.668 88.823 1.00737.35 O ATOM 8342 O5* A 0 445 196.880 1.665 88.736 1.00737.35 O ATOM 8343 C5* A 0 445 195.716 2.178 88.091 1.00737.35 C ATOM 8344 C4* A 0 445 194.773 2.777 89.109 1.00737.35 C ATOM 8345 O4* A 0 445 194.322 1.739 90.017 1.00737.35 O ATOM 8346 C3* A 0 445 195.374 3.836 90.017 1.00737.35 C ATOM 8347 O3* A 0 445 195.356 5.116 89.391 1.00737.35 O ATOM 8348 C2* A 0 445 194.455 3.778 91.231 1.00737.35 C ATOM 8349 O2* A 0 445 193.246 4.489 91.049 1.00737.35 O ATOM 8350 C1* A 0 445 194.166 2.277 91.321 1.00737.35 C ATOM 8351 N9 A 0 445 195.068 1.564 92.230 1.00737.35 N ATOM 8352 C8 A 0 445 196.232 0.900 91.921 1.00737.35 C ATOM 8353 N7 A 0 445 196.822 0.359 92.958 1.00737.35 N ATOM 8354 C5 A 0 445 195.996 0.689 94.022 1.00737.35 C ATOM 8355 C6 A 0 445 196.070 0.409 95.398 1.00737.35 C ATOM 8356 N6 A 0 445 197.055 -0.292 95.961 1.00737.35 N ATOM 8357 N1 A 0 445 195.080 0.885 96.188 1.00737.35 N ATOM 8358 C2 A 0 445 194.093 1.589 95.625 1.00737.35 C ATOM 8359 N3 A 0 445 193.913 1.917 94.347 1.00737.35 N ATOM 8360 C4 A 0 445 194.911 1.430 93.589 1.00737.35 C ATOM 8361 P C 0 446 196.479 6.205 89.767 1.00737.35 P ATOM 8362 O1P C 0 446 196.219 7.409 88.939 1.00737.35 O ATOM 8363 O2P C 0 446 197.811 5.549 89.709 1.00737.35 O ATOM 8364 O5* C 0 446 196.169 6.567 91.288 1.00737.35 O ATOM 8365 C5* C 0 446 194.936 7.185 91.655 1.00737.35 C ATOM 8366 C4* C 0 446 194.821 7.277 93.158 1.00737.35 C ATOM 8367 O4* C 0 446 194.786 5.940 93.722 1.00737.35 O ATOM 8368 C3* C 0 446 195.973 7.958 93.873 1.00737.35 C ATOM 8369 O3* C 0 446 195.812 9.373 93.862 1.00737.35 O ATOM 8370 C2* C 0 446 195.866 7.378 95.280 1.00737.35 C ATOM 8371 O2* C 0 446 194.879 8.014 96.064 1.00737.35 O ATOM 8372 C1* C 0 446 195.436 5.938 94.984 1.00737.35 C ATOM 8373 N1 C 0 446 196.553 4.970 94.944 1.00737.35 N ATOM 8374 C2 C 0 446 197.008 4.404 96.149 1.00737.35 C ATOM 8375 O2 C 0 446 196.466 4.735 97.220 1.00737.35 O ATOM 8376 N3 C 0 446 198.024 3.512 96.117 1.00737.35 N ATOM 8377 C4 C 0 446 198.588 3.181 94.954 1.00737.35 C ATOM 8378 N4 C 0 446 199.584 2.293 94.974 1.00737.35 N ATOM 8379 C5 C 0 446 198.154 3.743 93.718 1.00737.35 C ATOM 8380 C6 C 0 446 197.144 4.623 93.758 1.00737.35 C ATOM 8381 P U 0 447 197.095 10.331 94.033 1.00737.35 P ATOM 8382 O1P U 0 447 196.681 11.695 93.621 1.00737.35 O ATOM 8383 O2P U 0 447 198.263 9.689 93.377 1.00737.35 O ATOM 8384 O5* U 0 447 197.354 10.347 95.605 1.00737.35 O ATOM 8385 C5* U 0 447 196.347 10.802 96.506 1.00737.35 C ATOM 8386 C4* U 0 447 196.635 10.314 97.909 1.00737.35 C ATOM 8387 O4* U 0 447 196.687 8.862 97.908 1.00737.35 O ATOM 8388 C3* U 0 447 197.970 10.739 98.505 1.00737.35 C ATOM 8389 O3* U 0 447 197.875 12.035 99.091 1.00737.35 O ATOM 8390 C2* U 0 447 198.211 9.655 99.549 1.00737.35 C ATOM 8391 O2* U 0 447 197.483 9.876 100.741 1.00737.35 O ATOM 8392 C1* U 0 447 197.669 8.417 98.831 1.00737.35 C ATOM 8393 N1 U 0 447 198.701 7.664 98.098 1.00737.35 N ATOM 8394 C2 U 0 447 199.431 6.715 98.799 1.00737.35 C ATOM 8395 O2 U 0 447 199.259 6.480 99.986 1.00737.35 O ATOM 8396 N3 U 0 447 200.377 6.049 98.058 1.00737.35 N ATOM 8397 C4 U 0 447 200.663 6.227 96.720 1.00737.35 C ATOM 8398 O4 U 0 447 201.545 5.548 96.192 1.00737.35 O ATOM 8399 C5 U 0 447 199.869 7.222 96.067 1.00737.35 C ATOM 8400 C6 U 0 447 198.939 7.889 96.758 1.00737.35 C ATOM 8401 P C 0 448 199.156 12.687 99.816 1.00737.35 P ATOM 8402 O1P C 0 448 199.091 14.152 99.581 1.00737.35 O ATOM 8403 O2P C 0 448 200.377 11.936 99.418 1.00737.35 O ATOM 8404 O5* C 0 448 198.891 12.417 101.364 1.00737.35 O ATOM 8405 C5* C 0 448 197.932 13.187 102.088 1.00737.35 C ATOM 8406 C4* C 0 448 197.850 12.725 103.526 1.00737.35 C ATOM 8407 O4* C 0 448 197.279 11.392 103.587 1.00737.35 O ATOM 8408 C3* C 0 448 199.168 12.587 104.269 1.00737.35 C ATOM 8409 O3* C 0 448 199.624 13.842 104.756 1.00737.35 O ATOM 8410 C2* C 0 448 198.792 11.644 105.408 1.00737.35 C ATOM 8411 O2* C 0 448 198.164 12.300 106.490 1.00737.35 O ATOM 8412 C1* C 0 448 197.795 10.709 104.720 1.00737.35 C ATOM 8413 N1 C 0 448 198.389 9.430 104.282 1.00737.35 N ATOM 8414 C2 C 0 448 198.250 8.301 105.108 1.00737.35 C ATOM 8415 O2 C 0 448 197.631 8.404 106.178 1.00737.35 O ATOM 8416 N3 C 0 448 198.796 7.126 104.714 1.00737.35 N ATOM 8417 C4 C 0 448 199.455 7.048 103.556 1.00737.35 C ATOM 8418 N4 C 0 448 199.976 5.869 103.211 1.00737.35 N ATOM 8419 C5 C 0 448 199.612 8.178 102.701 1.00737.35 C ATOM 8420 C6 C 0 448 199.069 9.335 103.099 1.00737.35 C ATOM 8421 P C 0 449 201.158 14.270 104.536 1.00737.35 P ATOM 8422 O1P C 0 449 201.436 15.411 105.448 1.00737.35 O ATOM 8423 O2P C 0 449 201.394 14.423 103.078 1.00737.35 O ATOM 8424 O5* C 0 449 201.990 13.007 105.044 1.00737.35 O ATOM 8425 C5* C 0 449 201.989 12.634 106.421 1.00737.35 C ATOM 8426 C4* C 0 449 202.885 11.436 106.643 1.00737.35 C ATOM 8427 O4* C 0 449 202.325 10.275 105.974 1.00737.35 O ATOM 8428 C3* C 0 449 204.292 11.548 106.078 1.00737.35 C ATOM 8429 O3* C 0 449 205.145 12.255 106.971 1.00737.35 O ATOM 8430 C2* C 0 449 204.700 10.086 105.930 1.00737.35 C ATOM 8431 O2* C 0 449 205.154 9.511 107.140 1.00737.35 O ATOM 8432 C1* C 0 449 203.378 9.438 105.512 1.00737.35 C ATOM 8433 N1 C 0 449 203.235 9.249 104.053 1.00737.35 N ATOM 8434 C2 C 0 449 203.792 8.101 103.458 1.00737.35 C ATOM 8435 O2 C 0 449 204.399 7.280 104.168 1.00737.35 O ATOM 8436 N3 C 0 449 203.653 7.919 102.124 1.00737.35 N ATOM 8437 C4 C 0 449 203.002 8.823 101.389 1.00737.35 C ATOM 8438 N4 C 0 449 202.892 8.595 100.077 1.00737.35 N ATOM 8439 C5 C 0 449 202.433 9.996 101.963 1.00737.35 C ATOM 8440 C6 C 0 449 202.572 10.168 103.284 1.00737.35 C ATOM 8441 P C 0 450 206.373 13.117 106.391 1.00737.35 P ATOM 8442 O1P C 0 450 206.970 13.856 107.531 1.00737.35 O ATOM 8443 O2P C 0 450 205.900 13.869 105.198 1.00737.35 O ATOM 8444 O5* C 0 450 207.416 12.015 105.903 1.00737.35 O ATOM 8445 C5* C 0 450 208.118 11.205 106.844 1.00737.35 C ATOM 8446 C4* C 0 450 208.948 10.166 106.130 1.00737.35 C ATOM 8447 O4* C 0 450 208.075 9.251 105.422 1.00737.35 O ATOM 8448 C3* C 0 450 209.888 10.690 105.054 1.00737.35 C ATOM 8449 O3* C 0 450 211.110 11.154 105.623 1.00737.35 O ATOM 8450 C2* C 0 450 210.094 9.459 104.180 1.00737.35 C ATOM 8451 O2* C 0 450 211.054 8.560 104.701 1.00737.35 O ATOM 8452 C1* C 0 450 208.704 8.818 104.227 1.00737.35 C ATOM 8453 N1 C 0 450 207.848 9.175 103.077 1.00737.35 N ATOM 8454 C2 C 0 450 207.926 8.401 101.908 1.00737.35 C ATOM 8455 O2 C 0 450 208.708 7.437 101.868 1.00737.35 O ATOM 8456 N3 C 0 450 207.145 8.724 100.851 1.00737.35 N ATOM 8457 C4 C 0 450 206.315 9.766 100.924 1.00737.35 C ATOM 8458 N4 C 0 450 205.568 10.045 99.853 1.00737.35 N ATOM 8459 C5 C 0 450 206.215 10.570 102.098 1.00737.35 C ATOM 8460 C6 C 0 450 206.992 10.242 103.138 1.00737.35 C ATOM 8461 P A 0 451 211.944 12.314 104.887 1.00737.35 P ATOM 8462 O1P A 0 451 213.046 12.711 105.799 1.00737.35 O ATOM 8463 O2P A 0 451 210.993 13.343 104.394 1.00737.35 O ATOM 8464 O5* A 0 451 212.581 11.583 103.622 1.00737.35 O ATOM 8465 C5* A 0 451 213.623 10.620 103.781 1.00737.35 C ATOM 8466 C4* A 0 451 213.973 9.997 102.449 1.00737.35 C ATOM 8467 O4* A 0 451 212.833 9.254 101.944 1.00737.35 O ATOM 8468 C3* A 0 451 214.316 10.967 101.330 1.00737.35 C ATOM 8469 O3* A 0 451 215.681 11.370 101.398 1.00737.35 O ATOM 8470 C2* A 0 451 214.025 10.135 100.086 1.00737.35 C ATOM 8471 O2* A 0 451 215.072 9.242 99.756 1.00737.35 O ATOM 8472 C1* A 0 451 212.791 9.345 100.528 1.00737.35 C ATOM 8473 N9 A 0 451 211.523 9.967 100.137 1.00737.35 N ATOM 8474 C8 A 0 451 210.697 10.758 100.900 1.00737.35 C ATOM 8475 N7 A 0 451 209.623 11.163 100.268 1.00737.35 N ATOM 8476 C5 A 0 451 209.751 10.608 99.002 1.00737.35 C ATOM 8477 C6 A 0 451 208.936 10.664 97.856 1.00737.35 C ATOM 8478 N6 A 0 451 207.784 11.337 97.802 1.00737.35 N ATOM 8479 N1 A 0 451 209.351 9.998 96.758 1.00737.35 N ATOM 8480 C2 A 0 451 210.505 9.324 96.815 1.00737.35 C ATOM 8481 N3 A 0 451 211.356 9.194 97.830 1.00737.35 N ATOM 8482 C4 A 0 451 210.917 9.867 98.908 1.00737.35 C ATOM 8483 P G 0 452 216.140 12.763 100.736 1.00737.35 P ATOM 8484 O1P G 0 452 217.535 13.018 101.177 1.00737.35 O ATOM 8485 O2P G 0 452 215.092 13.783 100.999 1.00737.35 O ATOM 8486 O5* G 0 452 216.159 12.460 99.172 1.00737.35 O ATOM 8487 C5* G 0 452 217.056 11.494 98.625 1.00737.35 C ATOM 8488 C4* G 0 452 216.647 11.135 97.214 1.00737.35 C ATOM 8489 O4* G 0 452 215.306 10.577 97.234 1.00737.35 O ATOM 8490 C3* G 0 452 216.555 12.292 96.228 1.00737.35 C ATOM 8491 O3* G 0 452 217.832 12.582 95.661 1.00737.35 O ATOM 8492 C2* G 0 452 215.587 11.750 95.186 1.00737.35 C ATOM 8493 O2* G 0 452 216.200 10.877 94.256 1.00737.35 O ATOM 8494 C1* G 0 452 214.607 10.965 96.061 1.00737.35 C ATOM 8495 N9 G 0 452 213.432 11.738 96.452 1.00737.35 N ATOM 8496 C8 G 0 452 213.208 12.368 97.654 1.00737.35 C ATOM 8497 N7 G 0 452 212.058 12.982 97.706 1.00737.35 N ATOM 8498 C5 G 0 452 211.485 12.748 96.465 1.00737.35 C ATOM 8499 C6 G 0 452 210.237 13.164 95.935 1.00737.35 C ATOM 8500 O6 G 0 452 209.356 13.845 96.476 1.00737.35 O ATOM 8501 N1 G 0 452 210.056 12.706 94.633 1.00737.35 N ATOM 8502 C2 G 0 452 210.956 11.945 93.929 1.00737.35 C ATOM 8503 N2 G 0 452 210.599 11.606 92.683 1.00737.35 N ATOM 8504 N3 G 0 452 212.120 11.548 94.412 1.00737.35 N ATOM 8505 C4 G 0 452 212.320 11.982 95.677 1.00737.35 C ATOM 8506 P U 0 453 218.140 14.059 95.103 1.00737.35 P ATOM 8507 O1P U 0 453 219.537 14.056 94.598 1.00737.35 O ATOM 8508 O2P U 0 453 217.737 15.048 96.135 1.00737.35 O ATOM 8509 O5* U 0 453 217.162 14.217 93.854 1.00737.35 O ATOM 8510 C5* U 0 453 217.278 13.368 92.713 1.00737.35 C ATOM 8511 C4* U 0 453 216.051 13.488 91.838 1.00737.35 C ATOM 8512 O4* U 0 453 214.881 13.101 92.605 1.00737.35 O ATOM 8513 C3* U 0 453 215.727 14.886 91.335 1.00737.35 C ATOM 8514 O3* U 0 453 216.454 15.187 90.148 1.00737.35 O ATOM 8515 C2* U 0 453 214.228 14.795 91.072 1.00737.35 C ATOM 8516 O2* U 0 453 213.915 14.177 89.841 1.00737.35 O ATOM 8517 C1* U 0 453 213.773 13.907 92.232 1.00737.35 C ATOM 8518 N1 U 0 453 213.321 14.667 93.410 1.00737.35 N ATOM 8519 C2 U 0 453 212.001 15.096 93.437 1.00737.35 C ATOM 8520 O2 U 0 453 211.207 14.868 92.538 1.00737.35 O ATOM 8521 N3 U 0 453 211.645 15.803 94.559 1.00737.35 N ATOM 8522 C4 U 0 453 212.449 16.119 95.633 1.00737.35 C ATOM 8523 O4 U 0 453 211.979 16.765 96.572 1.00737.35 O ATOM 8524 C5 U 0 453 213.793 15.643 95.536 1.00737.35 C ATOM 8525 C6 U 0 453 214.175 14.953 94.455 1.00737.35 C ATOM 8526 P G 0 454 216.681 16.720 89.716 1.00737.35 P ATOM 8527 O1P G 0 454 217.522 16.712 88.491 1.00737.35 O ATOM 8528 O2P G 0 454 217.130 17.482 90.907 1.00737.35 O ATOM 8529 O5* G 0 454 215.222 17.229 89.321 1.00737.35 O ATOM 8530 C5* G 0 454 214.628 16.864 88.076 1.00737.35 C ATOM 8531 C4* G 0 454 213.316 17.592 87.884 1.00737.35 C ATOM 8532 O4* G 0 454 212.353 17.125 88.865 1.00737.35 O ATOM 8533 C3* G 0 454 213.363 19.098 88.088 1.00737.35 C ATOM 8534 O3* G 0 454 213.783 19.760 86.898 1.00737.35 O ATOM 8535 C2* G 0 454 211.913 19.426 88.433 1.00737.35 C ATOM 8536 O2* G 0 454 211.086 19.541 87.294 1.00737.35 O ATOM 8537 C1* G 0 454 211.500 18.193 89.242 1.00737.35 C ATOM 8538 N9 G 0 454 211.583 18.366 90.693 1.00737.35 N ATOM 8539 C8 G 0 454 212.650 18.061 91.506 1.00737.35 C ATOM 8540 N7 G 0 454 212.421 18.311 92.767 1.00737.35 N ATOM 8541 C5 G 0 454 211.126 18.816 92.788 1.00737.35 C ATOM 8542 C6 G 0 454 210.331 19.258 93.878 1.00737.35 C ATOM 8543 O6 G 0 454 210.618 19.288 95.081 1.00737.35 O ATOM 8544 N1 G 0 454 209.080 19.693 93.453 1.00737.35 N ATOM 8545 C2 G 0 454 208.646 19.702 92.150 1.00737.35 C ATOM 8546 N2 G 0 454 207.403 20.166 91.945 1.00737.35 N ATOM 8547 N3 G 0 454 209.374 19.287 91.126 1.00737.35 N ATOM 8548 C4 G 0 454 210.596 18.862 91.516 1.00737.35 C ATOM 8549 P A 0 455 215.195 20.532 86.870 1.00737.35 P ATOM 8550 O1P A 0 455 216.209 19.559 86.389 1.00737.35 O ATOM 8551 O2P A 0 455 215.391 21.207 88.181 1.00737.35 O ATOM 8552 O5* A 0 455 215.009 21.641 85.739 1.00737.35 O ATOM 8553 C5* A 0 455 215.233 23.022 86.022 1.00737.35 C ATOM 8554 C4* A 0 455 214.691 23.889 84.908 1.00737.35 C ATOM 8555 O4* A 0 455 215.483 23.710 83.706 1.00737.35 O ATOM 8556 C3* A 0 455 213.269 23.597 84.459 1.00737.35 C ATOM 8557 O3* A 0 455 212.321 24.203 85.327 1.00737.35 O ATOM 8558 C2* A 0 455 213.242 24.210 83.063 1.00737.35 C ATOM 8559 O2* A 0 455 213.029 25.607 83.076 1.00737.35 O ATOM 8560 C1* A 0 455 214.660 23.909 82.566 1.00737.35 C ATOM 8561 N9 A 0 455 214.742 22.720 81.717 1.00737.35 N ATOM 8562 C8 A 0 455 214.924 21.411 82.094 1.00737.35 C ATOM 8563 N7 A 0 455 214.954 20.570 81.089 1.00737.35 N ATOM 8564 C5 A 0 455 214.780 21.376 79.974 1.00737.35 C ATOM 8565 C6 A 0 455 214.717 21.090 78.599 1.00737.35 C ATOM 8566 N6 A 0 455 214.829 19.861 78.092 1.00737.35 N ATOM 8567 N1 A 0 455 214.533 22.124 77.749 1.00737.35 N ATOM 8568 C2 A 0 455 214.421 23.358 78.256 1.00737.35 C ATOM 8569 N3 A 0 455 214.463 23.754 79.526 1.00737.35 N ATOM 8570 C4 A 0 455 214.648 22.703 80.345 1.00737.35 C ATOM 8571 P C 0 456 211.049 23.360 85.827 1.00737.35 P ATOM 8572 O1P C 0 456 211.537 22.020 86.238 1.00737.35 O ATOM 8573 O2P C 0 456 209.986 23.469 84.796 1.00737.35 O ATOM 8574 O5* C 0 456 210.558 24.139 87.129 1.00737.35 O ATOM 8575 C5* C 0 456 209.952 23.439 88.212 1.00737.35 C ATOM 8576 C4* C 0 456 209.044 24.363 88.988 1.00737.35 C ATOM 8577 O4* C 0 456 208.378 23.601 90.032 1.00737.35 O ATOM 8578 C3* C 0 456 209.734 25.496 89.732 1.00737.35 C ATOM 8579 O3* C 0 456 209.962 26.616 88.881 1.00737.35 O ATOM 8580 C2* C 0 456 208.735 25.801 90.840 1.00737.35 C ATOM 8581 O2* C 0 456 207.636 26.573 90.397 1.00737.35 O ATOM 8582 C1* C 0 456 208.262 24.394 91.203 1.00737.35 C ATOM 8583 N1 C 0 456 209.070 23.772 92.273 1.00737.35 N ATOM 8584 C2 C 0 456 208.689 23.964 93.613 1.00737.35 C ATOM 8585 O2 C 0 456 207.681 24.643 93.866 1.00737.35 O ATOM 8586 N3 C 0 456 209.434 23.407 94.594 1.00737.35 N ATOM 8587 C4 C 0 456 210.513 22.682 94.287 1.00737.35 C ATOM 8588 N4 C 0 456 211.218 22.154 95.291 1.00737.35 N ATOM 8589 C5 C 0 456 210.919 22.469 92.939 1.00737.35 C ATOM 8590 C6 C 0 456 210.177 23.024 91.974 1.00737.35 C ATOM 8591 P C 0 457 211.066 27.717 89.285 1.00737.35 P ATOM 8592 O1P C 0 457 211.276 28.589 88.101 1.00737.35 O ATOM 8593 O2P C 0 457 212.227 27.026 89.902 1.00737.35 O ATOM 8594 O5* C 0 457 210.347 28.585 90.413 1.00737.35 O ATOM 8595 C5* C 0 457 209.104 29.234 90.150 1.00737.35 C ATOM 8596 C4* C 0 457 208.435 29.643 91.445 1.00737.35 C ATOM 8597 O4* C 0 457 208.240 28.468 92.276 1.00737.35 O ATOM 8598 C3* C 0 457 209.213 30.598 92.337 1.00737.35 C ATOM 8599 O3* C 0 457 209.024 31.947 91.915 1.00737.35 O ATOM 8600 C2* C 0 457 208.577 30.343 93.699 1.00737.35 C ATOM 8601 O2* C 0 457 207.346 31.018 93.860 1.00737.35 O ATOM 8602 C1* C 0 457 208.322 28.835 93.645 1.00737.35 C ATOM 8603 N1 C 0 457 209.372 28.028 94.303 1.00737.35 N ATOM 8604 C2 C 0 457 209.295 27.823 95.694 1.00737.35 C ATOM 8605 O2 C 0 457 208.355 28.324 96.332 1.00737.35 O ATOM 8606 N3 C 0 457 210.250 27.084 96.305 1.00737.35 N ATOM 8607 C4 C 0 457 211.247 26.559 95.591 1.00737.35 C ATOM 8608 N4 C 0 457 212.166 25.837 96.239 1.00737.35 N ATOM 8609 C5 C 0 457 211.351 26.752 94.181 1.00737.35 C ATOM 8610 C6 C 0 457 210.401 27.484 93.585 1.00737.35 C ATOM 8611 P G 0 458 210.124 33.067 92.280 1.00737.35 P ATOM 8612 O1P G 0 458 209.729 34.311 91.575 1.00737.35 O ATOM 8613 O2P G 0 458 211.476 32.493 92.058 1.00737.35 O ATOM 8614 O5* G 0 458 209.935 33.307 93.846 1.00737.35 O ATOM 8615 C5* G 0 458 208.651 33.614 94.390 1.00737.35 C ATOM 8616 C4* G 0 458 208.631 33.334 95.876 1.00737.35 C ATOM 8617 O4* G 0 458 209.060 31.965 96.104 1.00737.35 O ATOM 8618 C3* G 0 458 209.568 34.176 96.729 1.00737.35 C ATOM 8619 O3* G 0 458 208.941 35.414 97.070 1.00737.35 O ATOM 8620 C2* G 0 458 209.799 33.280 97.942 1.00737.35 C ATOM 8621 O2* G 0 458 208.753 33.345 98.889 1.00737.35 O ATOM 8622 C1* G 0 458 209.826 31.894 97.296 1.00737.35 C ATOM 8623 N9 G 0 458 211.169 31.428 96.952 1.00737.35 N ATOM 8624 C8 G 0 458 211.909 31.769 95.842 1.00737.35 C ATOM 8625 N7 G 0 458 213.076 31.190 95.806 1.00737.35 N ATOM 8626 C5 G 0 458 213.114 30.419 96.962 1.00737.35 C ATOM 8627 C6 G 0 458 214.132 29.568 97.464 1.00737.35 C ATOM 8628 O6 G 0 458 215.239 29.316 96.973 1.00737.35 O ATOM 8629 N1 G 0 458 213.757 28.980 98.668 1.00737.35 N ATOM 8630 C2 G 0 458 212.560 29.183 99.307 1.00737.35 C ATOM 8631 N2 G 0 458 212.386 28.522 100.459 1.00737.35 N ATOM 8632 N3 G 0 458 211.603 29.974 98.849 1.00737.35 N ATOM 8633 C4 G 0 458 211.945 30.557 97.680 1.00737.35 C ATOM 8634 P A 0 459 209.699 36.463 98.029 1.00737.35 P ATOM 8635 O1P A 0 459 209.158 37.811 97.713 1.00737.35 O ATOM 8636 O2P A 0 459 211.163 36.222 97.945 1.00737.35 O ATOM 8637 O5* A 0 459 209.215 36.049 99.492 1.00737.35 O ATOM 8638 C5* A 0 459 208.066 36.645 100.093 1.00737.35 C ATOM 8639 C4* A 0 459 207.108 35.574 100.568 1.00737.35 C ATOM 8640 O4* A 0 459 207.842 34.565 101.304 1.00737.35 O ATOM 8641 C3* A 0 459 206.023 36.039 101.530 1.00737.35 C ATOM 8642 O3* A 0 459 204.891 36.548 100.829 1.00737.35 O ATOM 8643 C2* A 0 459 205.669 34.756 102.276 1.00737.35 C ATOM 8644 O2* A 0 459 204.737 33.950 101.584 1.00737.35 O ATOM 8645 C1* A 0 459 207.024 34.041 102.335 1.00737.35 C ATOM 8646 N9 A 0 459 207.741 34.150 103.609 1.00737.35 N ATOM 8647 C8 A 0 459 209.060 34.488 103.802 1.00737.35 C ATOM 8648 N7 A 0 459 209.431 34.475 105.059 1.00737.35 N ATOM 8649 C5 A 0 459 208.280 34.111 105.743 1.00737.35 C ATOM 8650 C6 A 0 459 208.014 33.917 107.110 1.00737.35 C ATOM 8651 N6 A 0 459 208.927 34.069 108.072 1.00737.35 N ATOM 8652 N1 A 0 459 206.759 33.557 107.460 1.00737.35 N ATOM 8653 C2 A 0 459 205.845 33.400 106.496 1.00737.35 C ATOM 8654 N3 A 0 459 205.975 33.550 105.181 1.00737.35 N ATOM 8655 C4 A 0 459 207.231 33.910 104.864 1.00737.35 C ATOM 8656 P U 0 460 204.020 37.739 101.471 1.00737.35 P ATOM 8657 O1P U 0 460 204.362 38.981 100.731 1.00737.35 O ATOM 8658 O2P U 0 460 204.165 37.704 102.949 1.00737.35 O ATOM 8659 O5* U 0 460 202.512 37.356 101.117 1.00737.35 O ATOM 8660 C5* U 0 460 202.132 37.006 99.788 1.00737.35 C ATOM 8661 C4* U 0 460 200.900 37.781 99.375 1.00737.35 C ATOM 8662 O4* U 0 460 201.161 39.198 99.537 1.00737.35 O ATOM 8663 C3* U 0 460 200.503 37.620 97.914 1.00737.35 C ATOM 8664 O3* U 0 460 199.634 36.503 97.740 1.00737.35 O ATOM 8665 C2* U 0 460 199.757 38.924 97.635 1.00737.35 C ATOM 8666 O2* U 0 460 198.409 38.896 98.062 1.00737.35 O ATOM 8667 C1* U 0 460 200.545 39.922 98.488 1.00737.35 C ATOM 8668 N1 U 0 460 201.586 40.656 97.748 1.00737.35 N ATOM 8669 C2 U 0 460 201.227 41.849 97.138 1.00737.35 C ATOM 8670 O2 U 0 460 200.095 42.309 97.179 1.00737.35 O ATOM 8671 N3 U 0 460 202.246 42.487 96.475 1.00737.35 N ATOM 8672 C4 U 0 460 203.555 42.067 96.359 1.00737.35 C ATOM 8673 O4 U 0 460 204.358 42.757 95.728 1.00737.35 O ATOM 8674 C5 U 0 460 203.845 40.827 97.009 1.00737.35 C ATOM 8675 C6 U 0 460 202.877 40.180 97.664 1.00737.35 C ATOM 8676 P A 0 461 200.228 35.086 97.259 1.00737.35 P ATOM 8677 O1P A 0 461 199.176 34.432 96.438 1.00737.35 O ATOM 8678 O2P A 0 461 200.763 34.385 98.454 1.00737.35 O ATOM 8679 O5* A 0 461 201.458 35.456 96.314 1.00737.35 O ATOM 8680 C5* A 0 461 201.289 35.645 94.908 1.00737.35 C ATOM 8681 C4* A 0 461 202.277 34.790 94.148 1.00737.35 C ATOM 8682 O4* A 0 461 203.617 35.100 94.622 1.00737.35 O ATOM 8683 C3* A 0 461 202.130 33.290 94.360 1.00737.35 C ATOM 8684 O3* A 0 461 201.208 32.734 93.425 1.00737.35 O ATOM 8685 C2* A 0 461 203.546 32.782 94.113 1.00737.35 C ATOM 8686 O2* A 0 461 203.857 32.649 92.739 1.00737.35 O ATOM 8687 C1* A 0 461 204.378 33.908 94.725 1.00737.35 C ATOM 8688 N9 A 0 461 204.720 33.699 96.136 1.00737.35 N ATOM 8689 C8 A 0 461 204.484 34.542 97.196 1.00737.35 C ATOM 8690 N7 A 0 461 204.912 34.081 98.346 1.00737.35 N ATOM 8691 C5 A 0 461 205.467 32.850 98.028 1.00737.35 C ATOM 8692 C6 A 0 461 206.091 31.862 98.809 1.00737.35 C ATOM 8693 N6 A 0 461 206.270 31.965 100.127 1.00737.35 N ATOM 8694 N1 A 0 461 206.532 30.750 98.181 1.00737.35 N ATOM 8695 C2 A 0 461 206.352 30.648 96.860 1.00737.35 C ATOM 8696 N3 A 0 461 205.781 31.506 96.018 1.00737.35 N ATOM 8697 C4 A 0 461 205.356 32.600 96.671 1.00737.35 C ATOM 8698 P G 0 462 200.209 31.559 93.886 1.00737.35 P ATOM 8699 O1P G 0 462 199.534 31.052 92.664 1.00737.35 O ATOM 8700 O2P G 0 462 199.390 32.061 95.019 1.00737.35 O ATOM 8701 O5* G 0 462 201.170 30.416 94.441 1.00737.35 O ATOM 8702 C5* G 0 462 201.930 29.590 93.557 1.00737.35 C ATOM 8703 C4* G 0 462 202.680 28.540 94.345 1.00737.35 C ATOM 8704 O4* G 0 462 203.616 29.200 95.233 1.00737.35 O ATOM 8705 C3* G 0 462 201.818 27.673 95.254 1.00737.35 C ATOM 8706 O3* G 0 462 201.329 26.536 94.547 1.00737.35 O ATOM 8707 C2* G 0 462 202.795 27.268 96.351 1.00737.35 C ATOM 8708 O2* G 0 462 203.622 26.180 95.983 1.00737.35 O ATOM 8709 C1* G 0 462 203.645 28.534 96.485 1.00737.35 C ATOM 8710 N9 G 0 462 203.171 29.466 97.506 1.00737.35 N ATOM 8711 C8 G 0 462 202.204 30.433 97.361 1.00737.35 C ATOM 8712 N7 G 0 462 202.008 31.130 98.448 1.00737.35 N ATOM 8713 C5 G 0 462 202.897 30.588 99.367 1.00737.35 C ATOM 8714 C6 G 0 462 203.142 30.937 100.718 1.00737.35 C ATOM 8715 O6 G 0 462 202.613 31.830 101.392 1.00737.35 O ATOM 8716 N1 G 0 462 204.123 30.131 101.285 1.00737.35 N ATOM 8717 C2 G 0 462 204.783 29.119 100.636 1.00737.35 C ATOM 8718 N2 G 0 462 205.699 28.453 101.357 1.00737.35 N ATOM 8719 N3 G 0 462 204.568 28.785 99.375 1.00737.35 N ATOM 8720 C4 G 0 462 203.616 29.555 98.805 1.00737.35 C ATOM 8721 P C 0 463 199.748 26.243 94.488 1.00737.35 P ATOM 8722 O1P C 0 463 199.573 24.897 93.886 1.00737.35 O ATOM 8723 O2P C 0 463 199.081 27.417 93.867 1.00737.35 O ATOM 8724 O5* C 0 463 199.294 26.162 96.013 1.00737.35 O ATOM 8725 C5* C 0 463 200.041 25.420 96.972 1.00737.35 C ATOM 8726 C4* C 0 463 199.111 24.755 97.960 1.00737.35 C ATOM 8727 O4* C 0 463 199.902 24.066 98.965 1.00737.35 O ATOM 8728 C3* C 0 463 198.225 25.698 98.758 1.00737.35 C ATOM 8729 O3* C 0 463 197.038 25.993 98.028 1.00737.35 O ATOM 8730 C2* C 0 463 197.928 24.879 100.012 1.00737.35 C ATOM 8731 O2* C 0 463 196.895 23.930 99.824 1.00737.35 O ATOM 8732 C1* C 0 463 199.258 24.156 100.227 1.00737.35 C ATOM 8733 N1 C 0 463 200.163 24.841 101.172 1.00737.35 N ATOM 8734 C2 C 0 463 200.136 24.471 102.529 1.00737.35 C ATOM 8735 O2 C 0 463 199.354 23.580 102.898 1.00737.35 O ATOM 8736 N3 C 0 463 200.963 25.095 103.397 1.00737.35 N ATOM 8737 C4 C 0 463 201.792 26.050 102.966 1.00737.35 C ATOM 8738 N4 C 0 463 202.590 26.637 103.862 1.00737.35 N ATOM 8739 C5 C 0 463 201.839 26.446 101.598 1.00737.35 C ATOM 8740 C6 C 0 463 201.017 25.823 100.743 1.00737.35 C ATOM 8741 P G 0 464 196.653 27.522 97.708 1.00737.35 P ATOM 8742 O1P G 0 464 195.490 27.494 96.784 1.00737.35 O ATOM 8743 O2P G 0 464 197.887 28.248 97.310 1.00737.35 O ATOM 8744 O5* G 0 464 196.157 28.105 99.103 1.00737.35 O ATOM 8745 C5* G 0 464 195.667 29.440 99.203 1.00737.35 C ATOM 8746 C4* G 0 464 195.481 29.829 100.650 1.00737.35 C ATOM 8747 O4* G 0 464 194.449 29.002 101.249 1.00737.35 O ATOM 8748 C3* G 0 464 196.690 29.627 101.550 1.00737.35 C ATOM 8749 O3* G 0 464 197.585 30.730 101.460 1.00737.35 O ATOM 8750 C2* G 0 464 196.054 29.518 102.929 1.00737.35 C ATOM 8751 O2* G 0 464 195.737 30.775 103.496 1.00737.35 O ATOM 8752 C1* G 0 464 194.766 28.754 102.609 1.00737.35 C ATOM 8753 N9 G 0 464 194.878 27.309 102.808 1.00737.35 N ATOM 8754 C8 G 0 464 194.876 26.329 101.841 1.00737.35 C ATOM 8755 N7 G 0 464 194.988 25.126 102.330 1.00737.35 N ATOM 8756 C5 G 0 464 195.068 25.315 103.702 1.00737.35 C ATOM 8757 C6 G 0 464 195.199 24.373 104.755 1.00737.35 C ATOM 8758 O6 G 0 464 195.269 23.140 104.683 1.00737.35 O ATOM 8759 N1 G 0 464 195.248 24.998 105.996 1.00737.35 N ATOM 8760 C2 G 0 464 195.178 26.355 106.202 1.00737.35 C ATOM 8761 N2 G 0 464 195.246 26.766 107.475 1.00737.35 N ATOM 8762 N3 G 0 464 195.052 27.243 105.230 1.00737.35 N ATOM 8763 C4 G 0 464 195.003 26.657 104.015 1.00737.35 C ATOM 8764 P C 0 465 199.130 30.540 101.864 1.00737.35 P ATOM 8765 O1P C 0 465 199.837 31.790 101.491 1.00737.35 O ATOM 8766 O2P C 0 465 199.605 29.241 101.323 1.00737.35 O ATOM 8767 O5* C 0 465 199.096 30.436 103.452 1.00737.35 O ATOM 8768 C5* C 0 465 198.881 31.592 104.259 1.00737.35 C ATOM 8769 C4* C 0 465 199.293 31.323 105.689 1.00737.35 C ATOM 8770 O4* C 0 465 198.386 30.358 106.287 1.00737.35 O ATOM 8771 C3* C 0 465 200.669 30.703 105.869 1.00737.35 C ATOM 8772 O3* C 0 465 201.687 31.697 105.837 1.00737.35 O ATOM 8773 C2* C 0 465 200.544 30.040 107.235 1.00737.35 C ATOM 8774 O2* C 0 465 200.707 30.943 108.310 1.00737.35 O ATOM 8775 C1* C 0 465 199.098 29.533 107.197 1.00737.35 C ATOM 8776 N1 C 0 465 198.986 28.128 106.754 1.00737.35 N ATOM 8777 C2 C 0 465 199.142 27.101 107.700 1.00737.35 C ATOM 8778 O2 C 0 465 199.367 27.398 108.885 1.00737.35 O ATOM 8779 N3 C 0 465 199.043 25.812 107.297 1.00737.35 N ATOM 8780 C4 C 0 465 198.800 25.527 106.018 1.00737.35 C ATOM 8781 N4 C 0 465 198.713 24.243 105.667 1.00737.35 N ATOM 8782 C5 C 0 465 198.633 26.549 105.035 1.00737.35 C ATOM 8783 C6 C 0 465 198.734 27.821 105.443 1.00737.35 C ATOM 8784 P A 0 466 202.938 31.524 104.839 1.00737.35 P ATOM 8785 O1P A 0 466 203.405 32.889 104.491 1.00737.35 O ATOM 8786 O2P A 0 466 202.563 30.580 103.754 1.00737.35 O ATOM 8787 O5* A 0 466 204.058 30.827 105.732 1.00737.35 O ATOM 8788 C5* A 0 466 203.792 29.608 106.421 1.00737.35 C ATOM 8789 C4* A 0 466 205.080 28.875 106.707 1.00737.35 C ATOM 8790 O4* A 0 466 205.706 28.500 105.454 1.00737.35 O ATOM 8791 C3* A 0 466 206.145 29.677 107.443 1.00737.35 C ATOM 8792 O3* A 0 466 205.939 29.617 108.852 1.00737.35 O ATOM 8793 C2* A 0 466 207.427 28.959 107.032 1.00737.35 C ATOM 8794 O2* A 0 466 207.674 27.787 107.786 1.00737.35 O ATOM 8795 C1* A 0 466 207.117 28.579 105.583 1.00737.35 C ATOM 8796 N9 A 0 466 207.624 29.533 104.594 1.00737.35 N ATOM 8797 C8 A 0 466 206.936 30.534 103.951 1.00737.35 C ATOM 8798 N7 A 0 466 207.667 31.219 103.108 1.00737.35 N ATOM 8799 C5 A 0 466 208.921 30.637 103.201 1.00737.35 C ATOM 8800 C6 A 0 466 210.141 30.909 102.558 1.00737.35 C ATOM 8801 N6 A 0 466 210.300 31.878 101.655 1.00737.35 N ATOM 8802 N1 A 0 466 211.205 30.140 102.878 1.00737.35 N ATOM 8803 C2 A 0 466 211.043 29.167 103.782 1.00737.35 C ATOM 8804 N3 A 0 466 209.949 28.815 104.455 1.00737.35 N ATOM 8805 C4 A 0 466 208.910 29.598 104.114 1.00737.35 C ATOM 8806 P U 0 467 206.593 30.737 109.805 1.00737.35 P ATOM 8807 O1P U 0 467 205.543 31.748 110.091 1.00737.35 O ATOM 8808 O2P U 0 467 207.886 31.172 109.218 1.00737.35 O ATOM 8809 O5* U 0 467 206.907 29.940 111.152 1.00737.35 O ATOM 8810 C5* U 0 467 205.903 29.726 112.147 1.00737.35 C ATOM 8811 C4* U 0 467 204.826 28.804 111.622 1.00737.35 C ATOM 8812 O4* U 0 467 205.432 27.663 110.964 1.00737.35 O ATOM 8813 C3* U 0 467 203.899 28.185 112.656 1.00737.35 C ATOM 8814 O3* U 0 467 202.850 29.081 113.018 1.00737.35 O ATOM 8815 C2* U 0 467 203.358 26.965 111.912 1.00737.35 C ATOM 8816 O2* U 0 467 202.278 27.271 111.053 1.00737.35 O ATOM 8817 C1* U 0 467 204.575 26.540 111.084 1.00737.35 C ATOM 8818 N1 U 0 467 205.331 25.417 111.665 1.00737.35 N ATOM 8819 C2 U 0 467 204.923 24.132 111.336 1.00737.35 C ATOM 8820 O2 U 0 467 203.985 23.901 110.588 1.00737.35 O ATOM 8821 N3 U 0 467 205.655 23.125 111.914 1.00737.35 N ATOM 8822 C4 U 0 467 206.732 23.265 112.766 1.00737.35 C ATOM 8823 O4 U 0 467 207.281 22.255 113.214 1.00737.35 O ATOM 8824 C5 U 0 467 207.095 24.618 113.053 1.00737.35 C ATOM 8825 C6 U 0 467 206.403 25.622 112.508 1.00737.35 C ATOM 8826 P A 0 468 202.211 29.014 114.495 1.00737.35 P ATOM 8827 O1P A 0 468 201.763 30.387 114.836 1.00737.35 O ATOM 8828 O2P A 0 468 203.151 28.304 115.402 1.00737.35 O ATOM 8829 O5* A 0 468 200.912 28.106 114.323 1.00737.35 O ATOM 8830 C5* A 0 468 200.165 27.673 115.462 1.00737.35 C ATOM 8831 C4* A 0 468 198.688 27.912 115.247 1.00737.35 C ATOM 8832 O4* A 0 468 198.456 29.338 115.113 1.00737.35 O ATOM 8833 C3* A 0 468 198.107 27.300 113.984 1.00737.35 C ATOM 8834 O3* A 0 468 197.715 25.949 114.213 1.00737.35 O ATOM 8835 C2* A 0 468 196.910 28.201 113.703 1.00737.35 C ATOM 8836 O2* A 0 468 195.773 27.869 114.480 1.00737.35 O ATOM 8837 C1* A 0 468 197.444 29.567 114.147 1.00737.35 C ATOM 8838 N9 A 0 468 198.003 30.403 113.078 1.00737.35 N ATOM 8839 C8 A 0 468 199.211 31.058 113.079 1.00737.35 C ATOM 8840 N7 A 0 468 199.427 31.773 112.003 1.00737.35 N ATOM 8841 C5 A 0 468 198.291 31.566 111.232 1.00737.35 C ATOM 8842 C6 A 0 468 197.902 32.056 109.972 1.00737.35 C ATOM 8843 N6 A 0 468 198.636 32.898 109.242 1.00737.35 N ATOM 8844 N1 A 0 468 196.711 31.651 109.483 1.00737.35 N ATOM 8845 C2 A 0 468 195.967 30.815 110.220 1.00737.35 C ATOM 8846 N3 A 0 468 196.220 30.292 111.416 1.00737.35 N ATOM 8847 C4 A 0 468 197.411 30.714 111.874 1.00737.35 C ATOM 8848 P G 0 469 197.871 24.861 113.038 1.00737.35 P ATOM 8849 O1P G 0 469 197.624 23.525 113.635 1.00737.35 O ATOM 8850 O2P G 0 469 199.150 25.123 112.319 1.00737.35 O ATOM 8851 O5* G 0 469 196.673 25.191 112.042 1.00737.35 O ATOM 8852 C5* G 0 469 195.331 25.262 112.514 1.00737.35 C ATOM 8853 C4* G 0 469 194.604 26.402 111.841 1.00737.35 C ATOM 8854 O4* G 0 469 194.562 26.171 110.409 1.00737.35 O ATOM 8855 C3* G 0 469 193.143 26.589 112.224 1.00737.35 C ATOM 8856 O3* G 0 469 193.020 27.335 113.430 1.00737.35 O ATOM 8857 C2* G 0 469 192.594 27.361 111.027 1.00737.35 C ATOM 8858 O2* G 0 469 192.899 28.741 111.081 1.00737.35 O ATOM 8859 C1* G 0 469 193.360 26.706 109.876 1.00737.35 C ATOM 8860 N9 G 0 469 192.613 25.631 109.224 1.00737.35 N ATOM 8861 C8 G 0 469 192.501 24.324 109.637 1.00737.35 C ATOM 8862 N7 G 0 469 191.747 23.603 108.853 1.00737.35 N ATOM 8863 C5 G 0 469 191.341 24.484 107.861 1.00737.35 C ATOM 8864 C6 G 0 469 190.505 24.275 106.731 1.00737.35 C ATOM 8865 O6 G 0 469 189.932 23.239 106.373 1.00737.35 O ATOM 8866 N1 G 0 469 190.359 25.439 105.986 1.00737.35 N ATOM 8867 C2 G 0 469 190.937 26.649 106.281 1.00737.35 C ATOM 8868 N2 G 0 469 190.677 27.654 105.433 1.00737.35 N ATOM 8869 N3 G 0 469 191.712 26.859 107.330 1.00737.35 N ATOM 8870 C4 G 0 469 191.871 25.741 108.072 1.00737.35 C ATOM 8871 P U 0 470 191.628 27.329 114.232 1.00737.35 P ATOM 8872 O1P U 0 470 191.433 25.956 114.769 1.00737.35 O ATOM 8873 O2P U 0 470 190.587 27.930 113.359 1.00737.35 O ATOM 8874 O5* U 0 470 191.883 28.323 115.452 1.00737.35 O ATOM 8875 C5* U 0 470 192.346 27.846 116.713 1.00737.35 C ATOM 8876 C4* U 0 470 193.148 28.916 117.422 1.00737.35 C ATOM 8877 O4* U 0 470 194.335 29.227 116.644 1.00737.35 O ATOM 8878 C3* U 0 470 192.467 30.264 117.609 1.00737.35 C ATOM 8879 O3* U 0 470 191.622 30.276 118.754 1.00737.35 O ATOM 8880 C2* U 0 470 193.655 31.201 117.789 1.00737.35 C ATOM 8881 O2* U 0 470 194.185 31.180 119.100 1.00737.35 O ATOM 8882 C1* U 0 470 194.666 30.598 116.811 1.00737.35 C ATOM 8883 N1 U 0 470 194.649 31.258 115.492 1.00737.35 N ATOM 8884 C2 U 0 470 195.432 32.393 115.329 1.00737.35 C ATOM 8885 O2 U 0 470 196.132 32.855 116.220 1.00737.35 O ATOM 8886 N3 U 0 470 195.366 32.968 114.085 1.00737.35 N ATOM 8887 C4 U 0 470 194.618 32.540 113.007 1.00737.35 C ATOM 8888 O4 U 0 470 194.663 33.170 111.951 1.00737.35 O ATOM 8889 C5 U 0 470 193.842 31.364 113.251 1.00737.35 C ATOM 8890 C6 U 0 470 193.881 30.778 114.453 1.00737.35 C ATOM 8891 P A 0 471 190.278 31.163 118.745 1.00737.35 P ATOM 8892 O1P A 0 471 189.750 31.180 120.133 1.00737.35 O ATOM 8893 O2P A 0 471 189.412 30.681 117.638 1.00737.35 O ATOM 8894 O5* A 0 471 190.778 32.632 118.378 1.00737.35 O ATOM 8895 C5* A 0 471 191.544 33.404 119.302 1.00737.35 C ATOM 8896 C4* A 0 471 191.928 34.732 118.686 1.00737.35 C ATOM 8897 O4* A 0 471 192.761 34.492 117.519 1.00737.35 O ATOM 8898 C3* A 0 471 190.777 35.574 118.159 1.00737.35 C ATOM 8899 O3* A 0 471 190.193 36.361 119.193 1.00737.35 O ATOM 8900 C2* A 0 471 191.462 36.442 117.111 1.00737.35 C ATOM 8901 O2* A 0 471 192.138 37.554 117.663 1.00737.35 O ATOM 8902 C1* A 0 471 192.477 35.460 116.520 1.00737.35 C ATOM 8903 N9 A 0 471 191.984 34.766 115.326 1.00737.35 N ATOM 8904 C8 A 0 471 191.540 33.471 115.219 1.00737.35 C ATOM 8905 N7 A 0 471 191.160 33.140 114.009 1.00737.35 N ATOM 8906 C5 A 0 471 191.370 34.295 113.266 1.00737.35 C ATOM 8907 C6 A 0 471 191.161 34.596 111.908 1.00737.35 C ATOM 8908 N6 A 0 471 190.679 33.725 111.020 1.00737.35 N ATOM 8909 N1 A 0 471 191.472 35.842 111.489 1.00737.35 N ATOM 8910 C2 A 0 471 191.957 36.717 112.379 1.00737.35 C ATOM 8911 N3 A 0 471 192.196 36.551 113.679 1.00737.35 N ATOM 8912 C4 A 0 471 191.877 35.305 114.065 1.00737.35 C ATOM 8913 P C 0 472 188.595 36.510 119.274 1.00737.35 P ATOM 8914 O1P C 0 472 188.304 37.625 120.212 1.00737.35 O ATOM 8915 O2P C 0 472 188.013 35.168 119.533 1.00737.35 O ATOM 8916 O5* C 0 472 188.169 36.965 117.809 1.00737.35 O ATOM 8917 C5* C 0 472 188.525 38.250 117.303 1.00737.35 C ATOM 8918 C4* C 0 472 188.046 38.409 115.878 1.00737.35 C ATOM 8919 O4* C 0 472 188.748 37.471 115.020 1.00737.35 O ATOM 8920 C3* C 0 472 186.576 38.106 115.635 1.00737.35 C ATOM 8921 O3* C 0 472 185.759 39.228 115.954 1.00737.35 O ATOM 8922 C2* C 0 472 186.556 37.783 114.146 1.00737.35 C ATOM 8923 O2* C 0 472 186.543 38.938 113.328 1.00737.35 O ATOM 8924 C1* C 0 472 187.888 37.044 113.975 1.00737.35 C ATOM 8925 N1 C 0 472 187.758 35.573 114.032 1.00737.35 N ATOM 8926 C2 C 0 472 187.459 34.869 112.852 1.00737.35 C ATOM 8927 O2 C 0 472 187.310 35.499 111.792 1.00737.35 O ATOM 8928 N3 C 0 472 187.338 33.523 112.899 1.00737.35 N ATOM 8929 C4 C 0 472 187.504 32.876 114.057 1.00737.35 C ATOM 8930 N4 C 0 472 187.375 31.546 114.052 1.00737.35 N ATOM 8931 C5 C 0 472 187.807 33.562 115.268 1.00737.35 C ATOM 8932 C6 C 0 472 187.924 34.896 115.212 1.00737.35 C ATOM 8933 P C 0 473 184.248 38.996 116.449 1.00737.35 P ATOM 8934 O1P C 0 473 183.727 40.311 116.902 1.00737.35 O ATOM 8935 O2P C 0 473 184.226 37.838 117.381 1.00737.35 O ATOM 8936 O5* C 0 473 183.470 38.577 115.123 1.00737.35 O ATOM 8937 C5* C 0 473 183.119 39.550 114.139 1.00737.35 C ATOM 8938 C4* C 0 473 182.274 38.922 113.055 1.00737.35 C ATOM 8939 O4* C 0 473 183.073 37.969 112.304 1.00737.35 O ATOM 8940 C3* C 0 473 181.077 38.116 113.530 1.00737.35 C ATOM 8941 O3* C 0 473 179.963 38.966 113.785 1.00737.35 O ATOM 8942 C2* C 0 473 180.824 37.182 112.352 1.00737.35 C ATOM 8943 O2* C 0 473 180.087 37.787 111.311 1.00737.35 O ATOM 8944 C1* C 0 473 182.252 36.896 111.874 1.00737.35 C ATOM 8945 N1 C 0 473 182.816 35.629 112.387 1.00737.35 N ATOM 8946 C2 C 0 473 182.621 34.450 111.648 1.00737.35 C ATOM 8947 O2 C 0 473 181.977 34.498 110.586 1.00737.35 O ATOM 8948 N3 C 0 473 183.138 33.289 112.111 1.00737.35 N ATOM 8949 C4 C 0 473 183.826 33.272 113.255 1.00737.35 C ATOM 8950 N4 C 0 473 184.319 32.103 113.670 1.00737.35 N ATOM 8951 C5 C 0 473 184.036 34.451 114.026 1.00737.35 C ATOM 8952 C6 C 0 473 183.520 35.597 113.561 1.00737.35 C ATOM 8953 P G 0 474 179.027 38.695 115.065 1.00737.35 P ATOM 8954 O1P G 0 474 178.035 39.798 115.125 1.00737.35 O ATOM 8955 O2P G 0 474 179.897 38.431 116.240 1.00737.35 O ATOM 8956 O5* G 0 474 178.257 37.347 114.706 1.00737.35 O ATOM 8957 C5* G 0 474 177.204 37.335 113.741 1.00737.35 C ATOM 8958 C4* G 0 474 176.791 35.917 113.427 1.00737.35 C ATOM 8959 O4* G 0 474 177.915 35.211 112.839 1.00737.35 O ATOM 8960 C3* G 0 474 176.393 35.060 114.621 1.00737.35 C ATOM 8961 O3* G 0 474 175.027 35.262 114.972 1.00737.35 O ATOM 8962 C2* G 0 474 176.638 33.650 114.099 1.00737.35 C ATOM 8963 O2* G 0 474 175.594 33.170 113.276 1.00737.35 O ATOM 8964 C1* G 0 474 177.902 33.855 113.262 1.00737.35 C ATOM 8965 N9 G 0 474 179.131 33.588 114.005 1.00737.35 N ATOM 8966 C8 G 0 474 179.934 34.504 114.647 1.00737.35 C ATOM 8967 N7 G 0 474 180.961 33.957 115.239 1.00737.35 N ATOM 8968 C5 G 0 474 180.832 32.600 114.973 1.00737.35 C ATOM 8969 C6 G 0 474 181.648 31.507 115.360 1.00737.35 C ATOM 8970 O6 G 0 474 182.683 31.518 116.037 1.00737.35 O ATOM 8971 N1 G 0 474 181.150 30.302 114.875 1.00737.35 N ATOM 8972 C2 G 0 474 180.015 30.164 114.116 1.00737.35 C ATOM 8973 N2 G 0 474 179.702 28.917 113.742 1.00737.35 N ATOM 8974 N3 G 0 474 179.244 31.175 113.748 1.00737.35 N ATOM 8975 C4 G 0 474 179.709 32.356 114.209 1.00737.35 C ATOM 8976 P U 0 475 174.562 35.098 116.503 1.00737.35 P ATOM 8977 O1P U 0 475 173.099 35.337 116.547 1.00737.35 O ATOM 8978 O2P U 0 475 175.465 35.912 117.357 1.00737.35 O ATOM 8979 O5* U 0 475 174.819 33.557 116.825 1.00737.35 O ATOM 8980 C5* U 0 475 174.700 33.056 118.156 1.00737.35 C ATOM 8981 C4* U 0 475 174.395 31.573 118.135 1.00737.35 C ATOM 8982 O4* U 0 475 173.111 31.359 117.494 1.00737.35 O ATOM 8983 C3* U 0 475 175.370 30.708 117.352 1.00737.35 C ATOM 8984 O3* U 0 475 176.481 30.335 118.164 1.00737.35 O ATOM 8985 C2* U 0 475 174.513 29.504 116.982 1.00737.35 C ATOM 8986 O2* U 0 475 174.404 28.557 118.024 1.00737.35 O ATOM 8987 C1* U 0 475 173.152 30.159 116.735 1.00737.35 C ATOM 8988 N1 U 0 475 172.876 30.481 115.325 1.00737.35 N ATOM 8989 C2 U 0 475 172.490 29.445 114.483 1.00737.35 C ATOM 8990 O2 U 0 475 172.381 28.286 114.856 1.00737.35 O ATOM 8991 N3 U 0 475 172.230 29.818 113.186 1.00737.35 N ATOM 8992 C4 U 0 475 172.318 31.087 112.651 1.00737.35 C ATOM 8993 O4 U 0 475 172.038 31.262 111.465 1.00737.35 O ATOM 8994 C5 U 0 475 172.733 32.097 113.574 1.00737.35 C ATOM 8995 C6 U 0 475 172.993 31.769 114.844 1.00737.35 C ATOM 8996 P G 0 476 177.906 30.034 117.482 1.00737.35 P ATOM 8997 O1P G 0 476 178.859 29.709 118.574 1.00737.35 O ATOM 8998 O2P G 0 476 178.218 31.144 116.545 1.00737.35 O ATOM 8999 O5* G 0 476 177.660 28.713 116.624 1.00737.35 O ATOM 9000 C5* G 0 476 177.313 27.480 117.255 1.00737.35 C ATOM 9001 C4* G 0 476 176.788 26.496 116.236 1.00737.35 C ATOM 9002 O4* G 0 476 175.607 27.059 115.601 1.00737.35 O ATOM 9003 C3* G 0 476 177.721 26.172 115.079 1.00737.35 C ATOM 9004 O3* G 0 476 178.628 25.130 115.432 1.00737.35 O ATOM 9005 C2* G 0 476 176.748 25.742 113.991 1.00737.35 C ATOM 9006 O2* G 0 476 176.301 24.409 114.136 1.00737.35 O ATOM 9007 C1* G 0 476 175.583 26.707 114.227 1.00737.35 C ATOM 9008 N9 G 0 476 175.677 27.935 113.439 1.00737.35 N ATOM 9009 C8 G 0 476 176.480 29.025 113.691 1.00737.35 C ATOM 9010 N7 G 0 476 176.346 29.973 112.805 1.00737.35 N ATOM 9011 C5 G 0 476 175.401 29.483 111.915 1.00737.35 C ATOM 9012 C6 G 0 476 174.852 30.069 110.745 1.00737.35 C ATOM 9013 O6 G 0 476 175.100 31.173 110.245 1.00737.35 O ATOM 9014 N1 G 0 476 173.924 29.227 110.140 1.00737.35 N ATOM 9015 C2 G 0 476 173.568 27.983 110.600 1.00737.35 C ATOM 9016 N2 G 0 476 172.652 27.328 109.874 1.00737.35 N ATOM 9017 N3 G 0 476 174.073 27.426 111.687 1.00737.35 N ATOM 9018 C4 G 0 476 174.978 28.225 112.291 1.00737.35 C ATOM 9019 P A 0 477 180.010 24.965 114.622 1.00737.35 P ATOM 9020 O1P A 0 477 180.795 23.905 115.306 1.00737.35 O ATOM 9021 O2P A 0 477 180.610 26.309 114.427 1.00737.35 O ATOM 9022 O5* A 0 477 179.560 24.412 113.197 1.00737.35 O ATOM 9023 C5* A 0 477 179.025 23.095 113.060 1.00737.35 C ATOM 9024 C4* A 0 477 178.424 22.908 111.684 1.00737.35 C ATOM 9025 O4* A 0 477 177.326 23.843 111.509 1.00737.35 O ATOM 9026 C3* A 0 477 179.344 23.195 110.508 1.00737.35 C ATOM 9027 O3* A 0 477 180.164 22.072 110.193 1.00737.35 O ATOM 9028 C2* A 0 477 178.343 23.484 109.394 1.00737.35 C ATOM 9029 O2* A 0 477 177.792 22.314 108.823 1.00737.35 O ATOM 9030 C1* A 0 477 177.263 24.255 110.153 1.00737.35 C ATOM 9031 N9 A 0 477 177.457 25.706 110.092 1.00737.35 N ATOM 9032 C8 A 0 477 178.114 26.514 110.988 1.00737.35 C ATOM 9033 N7 A 0 477 178.132 27.779 110.647 1.00737.35 N ATOM 9034 C5 A 0 477 177.438 27.809 109.445 1.00737.35 C ATOM 9035 C6 A 0 477 177.112 28.858 108.566 1.00737.35 C ATOM 9036 N6 A 0 477 177.458 30.131 108.773 1.00737.35 N ATOM 9037 N1 A 0 477 176.411 28.551 107.454 1.00737.35 N ATOM 9038 C2 A 0 477 176.066 27.273 107.248 1.00737.35 C ATOM 9039 N3 A 0 477 176.315 26.201 107.994 1.00737.35 N ATOM 9040 C4 A 0 477 177.013 26.540 109.093 1.00737.35 C ATOM 9041 P G 0 478 181.727 22.287 109.874 1.00737.35 P ATOM 9042 O1P G 0 478 182.209 21.066 109.180 1.00737.35 O ATOM 9043 O2P G 0 478 182.398 22.738 111.118 1.00737.35 O ATOM 9044 O5* G 0 478 181.757 23.493 108.828 1.00737.35 O ATOM 9045 C5* G 0 478 181.020 23.426 107.609 1.00737.35 C ATOM 9046 C4* G 0 478 180.763 24.817 107.073 1.00737.35 C ATOM 9047 O4* G 0 478 180.084 25.602 108.092 1.00737.35 O ATOM 9048 C3* G 0 478 181.994 25.641 106.732 1.00737.35 C ATOM 9049 O3* G 0 478 182.463 25.338 105.421 1.00737.35 O ATOM 9050 C2* G 0 478 181.466 27.066 106.831 1.00737.35 C ATOM 9051 O2* G 0 478 180.748 27.478 105.685 1.00737.35 O ATOM 9052 C1* G 0 478 180.515 26.953 108.023 1.00737.35 C ATOM 9053 N9 G 0 478 181.149 27.310 109.290 1.00737.35 N ATOM 9054 C8 G 0 478 181.628 26.455 110.255 1.00737.35 C ATOM 9055 N7 G 0 478 182.154 27.078 111.275 1.00737.35 N ATOM 9056 C5 G 0 478 182.013 28.424 110.969 1.00737.35 C ATOM 9057 C6 G 0 478 182.400 29.579 111.697 1.00737.35 C ATOM 9058 O6 G 0 478 182.966 29.645 112.795 1.00737.35 O ATOM 9059 N1 G 0 478 182.065 30.746 111.020 1.00737.35 N ATOM 9060 C2 G 0 478 181.440 30.799 109.798 1.00737.35 C ATOM 9061 N2 G 0 478 181.202 32.026 109.308 1.00737.35 N ATOM 9062 N3 G 0 478 181.076 29.732 109.110 1.00737.35 N ATOM 9063 C4 G 0 478 181.392 28.585 109.749 1.00737.35 C ATOM 9064 P G 0 479 183.987 25.660 105.024 1.00737.35 P ATOM 9065 O1P G 0 479 184.188 25.191 103.628 1.00737.35 O ATOM 9066 O2P G 0 479 184.875 25.151 106.101 1.00737.35 O ATOM 9067 O5* G 0 479 184.058 27.252 105.030 1.00737.35 O ATOM 9068 C5* G 0 479 183.278 28.024 104.117 1.00737.35 C ATOM 9069 C4* G 0 479 183.460 29.501 104.383 1.00737.35 C ATOM 9070 O4* G 0 479 182.972 29.821 105.711 1.00737.35 O ATOM 9071 C3* G 0 479 184.897 29.999 104.383 1.00737.35 C ATOM 9072 O3* G 0 479 185.339 30.275 103.059 1.00737.35 O ATOM 9073 C2* G 0 479 184.796 31.269 105.224 1.00737.35 C ATOM 9074 O2* G 0 479 184.330 32.386 104.492 1.00737.35 O ATOM 9075 C1* G 0 479 183.755 30.863 106.270 1.00737.35 C ATOM 9076 N9 G 0 479 184.340 30.391 107.524 1.00737.35 N ATOM 9077 C8 G 0 479 184.511 29.086 107.923 1.00737.35 C ATOM 9078 N7 G 0 479 185.064 28.979 109.101 1.00737.35 N ATOM 9079 C5 G 0 479 185.271 30.291 109.505 1.00737.35 C ATOM 9080 C6 G 0 479 185.839 30.807 110.701 1.00737.35 C ATOM 9081 O6 G 0 479 186.287 30.185 111.674 1.00737.35 O ATOM 9082 N1 G 0 479 185.858 32.197 110.699 1.00737.35 N ATOM 9083 C2 G 0 479 185.392 32.992 109.681 1.00737.35 C ATOM 9084 N2 G 0 479 185.501 34.316 109.867 1.00737.35 N ATOM 9085 N3 G 0 479 184.858 32.526 108.566 1.00737.35 N ATOM 9086 C4 G 0 479 184.830 31.176 108.544 1.00737.35 C ATOM 9087 P G 0 480 186.844 29.909 102.630 1.00737.35 P ATOM 9088 O1P G 0 480 187.026 30.364 101.226 1.00737.35 O ATOM 9089 O2P G 0 480 187.099 28.487 102.976 1.00737.35 O ATOM 9090 O5* G 0 480 187.749 30.823 103.570 1.00737.35 O ATOM 9091 C5* G 0 480 187.683 32.245 103.494 1.00737.35 C ATOM 9092 C4* G 0 480 188.377 32.868 104.682 1.00737.35 C ATOM 9093 O4* G 0 480 187.675 32.499 105.899 1.00737.35 O ATOM 9094 C3* G 0 480 189.811 32.423 104.921 1.00737.35 C ATOM 9095 O3* G 0 480 190.711 33.185 104.119 1.00737.35 O ATOM 9096 C2* G 0 480 189.989 32.688 106.411 1.00737.35 C ATOM 9097 O2* G 0 480 190.271 34.041 106.707 1.00737.35 O ATOM 9098 C1* G 0 480 188.606 32.317 106.953 1.00737.35 C ATOM 9099 N9 G 0 480 188.510 30.935 107.419 1.00737.35 N ATOM 9100 C8 G 0 480 188.114 29.838 106.690 1.00737.35 C ATOM 9101 N7 G 0 480 188.126 28.731 107.379 1.00737.35 N ATOM 9102 C5 G 0 480 188.557 29.117 108.642 1.00737.35 C ATOM 9103 C6 G 0 480 188.765 28.347 109.816 1.00737.35 C ATOM 9104 O6 G 0 480 188.607 27.131 109.979 1.00737.35 O ATOM 9105 N1 G 0 480 189.208 29.136 110.872 1.00737.35 N ATOM 9106 C2 G 0 480 189.421 30.491 110.811 1.00737.35 C ATOM 9107 N2 G 0 480 189.848 31.073 111.940 1.00737.35 N ATOM 9108 N3 G 0 480 189.229 31.221 109.725 1.00737.35 N ATOM 9109 C4 G 0 480 188.800 30.474 108.683 1.00737.35 C ATOM 9110 P A 0 481 192.244 32.720 103.965 1.00737.35 P ATOM 9111 O1P A 0 481 192.775 33.386 102.748 1.00737.35 O ATOM 9112 O2P A 0 481 192.312 31.239 104.080 1.00737.35 O ATOM 9113 O5* A 0 481 192.955 33.353 105.243 1.00737.35 O ATOM 9114 C5* A 0 481 194.250 33.944 105.152 1.00737.35 C ATOM 9115 C4* A 0 481 194.156 35.435 105.385 1.00737.35 C ATOM 9116 O4* A 0 481 193.494 35.684 106.652 1.00737.35 O ATOM 9117 C3* A 0 481 195.478 36.173 105.500 1.00737.35 C ATOM 9118 O3* A 0 481 195.992 36.503 104.213 1.00737.35 O ATOM 9119 C2* A 0 481 195.081 37.418 106.287 1.00737.35 C ATOM 9120 O2* A 0 481 194.494 38.423 105.481 1.00737.35 O ATOM 9121 C1* A 0 481 194.033 36.851 107.249 1.00737.35 C ATOM 9122 N9 A 0 481 194.576 36.496 108.560 1.00737.35 N ATOM 9123 C8 A 0 481 195.197 35.328 108.940 1.00737.35 C ATOM 9124 N7 A 0 481 195.580 35.313 110.194 1.00737.35 N ATOM 9125 C5 A 0 481 195.188 36.554 110.674 1.00737.35 C ATOM 9126 C6 A 0 481 195.307 37.160 111.938 1.00737.35 C ATOM 9127 N6 A 0 481 195.883 36.573 112.990 1.00737.35 N ATOM 9128 N1 A 0 481 194.809 38.408 112.087 1.00737.35 N ATOM 9129 C2 A 0 481 194.235 38.997 111.030 1.00737.35 C ATOM 9130 N3 A 0 481 194.061 38.533 109.796 1.00737.35 N ATOM 9131 C4 A 0 481 194.566 37.292 109.682 1.00737.35 C ATOM 9132 P A 0 482 197.584 36.563 103.981 1.00737.35 P ATOM 9133 O1P A 0 482 197.809 36.944 102.564 1.00737.35 O ATOM 9134 O2P A 0 482 198.181 35.307 104.506 1.00737.35 O ATOM 9135 O5* A 0 482 198.066 37.768 104.907 1.00737.35 O ATOM 9136 C5* A 0 482 197.617 39.101 104.671 1.00737.35 C ATOM 9137 C4* A 0 482 197.988 39.995 105.832 1.00737.35 C ATOM 9138 O4* A 0 482 197.317 39.523 107.031 1.00737.35 O ATOM 9139 C3* A 0 482 199.462 40.014 106.204 1.00737.35 C ATOM 9140 O3* A 0 482 200.174 40.951 105.403 1.00737.35 O ATOM 9141 C2* A 0 482 199.422 40.435 107.668 1.00737.35 C ATOM 9142 O2* A 0 482 199.274 41.830 107.844 1.00737.35 O ATOM 9143 C1* A 0 482 198.159 39.717 108.158 1.00737.35 C ATOM 9144 N9 A 0 482 198.425 38.413 108.766 1.00737.35 N ATOM 9145 C8 A 0 482 198.568 37.197 108.140 1.00737.35 C ATOM 9146 N7 A 0 482 198.802 36.203 108.959 1.00737.35 N ATOM 9147 C5 A 0 482 198.814 36.799 110.212 1.00737.35 C ATOM 9148 C6 A 0 482 199.014 36.284 111.505 1.00737.35 C ATOM 9149 N6 A 0 482 199.245 34.993 111.760 1.00737.35 N ATOM 9150 N1 A 0 482 198.963 37.147 112.542 1.00737.35 N ATOM 9151 C2 A 0 482 198.730 38.442 112.287 1.00737.35 C ATOM 9152 N3 A 0 482 198.529 39.046 111.120 1.00737.35 N ATOM 9153 C4 A 0 482 198.584 38.160 110.110 1.00737.35 C ATOM 9154 P A 0 483 201.572 40.525 104.725 1.00737.35 P ATOM 9155 O1P A 0 483 202.003 41.656 103.865 1.00737.35 O ATOM 9156 O2P A 0 483 201.412 39.174 104.130 1.00737.35 O ATOM 9157 O5* A 0 483 202.582 40.411 105.952 1.00737.35 O ATOM 9158 C5* A 0 483 203.028 41.575 106.650 1.00737.35 C ATOM 9159 C4* A 0 483 203.774 41.183 107.905 1.00737.35 C ATOM 9160 O4* A 0 483 202.878 40.447 108.781 1.00737.35 O ATOM 9161 C3* A 0 483 204.962 40.249 107.716 1.00737.35 C ATOM 9162 O3* A 0 483 206.146 40.970 107.381 1.00737.35 O ATOM 9163 C2* A 0 483 205.073 39.591 109.085 1.00737.35 C ATOM 9164 O2* A 0 483 205.741 40.396 110.035 1.00737.35 O ATOM 9165 C1* A 0 483 203.601 39.441 109.472 1.00737.35 C ATOM 9166 N9 A 0 483 203.042 38.136 109.112 1.00737.35 N ATOM 9167 C8 A 0 483 202.498 37.753 107.909 1.00737.35 C ATOM 9168 N7 A 0 483 202.087 36.508 107.890 1.00737.35 N ATOM 9169 C5 A 0 483 202.379 36.040 109.164 1.00737.35 C ATOM 9170 C6 A 0 483 202.189 34.789 109.779 1.00737.35 C ATOM 9171 N6 A 0 483 201.640 33.738 109.166 1.00737.35 N ATOM 9172 N1 A 0 483 202.588 34.654 111.061 1.00737.35 N ATOM 9173 C2 A 0 483 203.141 35.709 111.675 1.00737.35 C ATOM 9174 N3 A 0 483 203.372 36.932 111.205 1.00737.35 N ATOM 9175 C4 A 0 483 202.963 37.034 109.929 1.00737.35 C ATOM 9176 P G 0 484 207.199 40.344 106.333 1.00737.35 P ATOM 9177 O1P G 0 484 207.695 41.467 105.499 1.00737.35 O ATOM 9178 O2P G 0 484 206.592 39.158 105.674 1.00737.35 O ATOM 9179 O5* G 0 484 208.415 39.838 107.236 1.00737.35 O ATOM 9180 C5* G 0 484 208.199 38.966 108.343 1.00737.35 C ATOM 9181 C4* G 0 484 209.283 37.911 108.413 1.00737.35 C ATOM 9182 O4* G 0 484 209.235 37.086 107.221 1.00737.35 O ATOM 9183 C3* G 0 484 210.722 38.405 108.474 1.00737.35 C ATOM 9184 O3* G 0 484 211.084 38.717 109.818 1.00737.35 O ATOM 9185 C2* G 0 484 211.500 37.201 107.951 1.00737.35 C ATOM 9186 O2* G 0 484 211.730 36.218 108.942 1.00737.35 O ATOM 9187 C1* G 0 484 210.541 36.640 106.900 1.00737.35 C ATOM 9188 N9 G 0 484 210.846 37.024 105.521 1.00737.35 N ATOM 9189 C8 G 0 484 210.104 37.846 104.705 1.00737.35 C ATOM 9190 N7 G 0 484 210.621 37.989 103.516 1.00737.35 N ATOM 9191 C5 G 0 484 211.777 37.221 103.543 1.00737.35 C ATOM 9192 C6 G 0 484 212.751 36.988 102.538 1.00737.35 C ATOM 9193 O6 G 0 484 212.786 37.424 101.380 1.00737.35 O ATOM 9194 N1 G 0 484 213.764 36.151 102.994 1.00737.35 N ATOM 9195 C2 G 0 484 213.833 35.603 104.253 1.00737.35 C ATOM 9196 N2 G 0 484 214.898 34.823 104.499 1.00737.35 N ATOM 9197 N3 G 0 484 212.929 35.806 105.197 1.00737.35 N ATOM 9198 C4 G 0 484 211.934 36.622 104.777 1.00737.35 C ATOM 9199 P G 0 485 212.368 39.645 110.113 1.00737.35 P ATOM 9200 O1P G 0 485 212.426 39.849 111.582 1.00737.35 O ATOM 9201 O2P G 0 485 212.319 40.826 109.211 1.00737.35 O ATOM 9202 O5* G 0 485 213.611 38.744 109.689 1.00737.35 O ATOM 9203 C5* G 0 485 213.900 37.520 110.365 1.00737.35 C ATOM 9204 C4* G 0 485 215.067 36.821 109.709 1.00737.35 C ATOM 9205 O4* G 0 485 214.749 36.568 108.315 1.00737.35 O ATOM 9206 C3* G 0 485 216.364 37.614 109.667 1.00737.35 C ATOM 9207 O3* G 0 485 217.095 37.411 110.874 1.00737.35 O ATOM 9208 C2* G 0 485 217.088 37.004 108.471 1.00737.35 C ATOM 9209 O2* G 0 485 217.789 35.816 108.785 1.00737.35 O ATOM 9210 C1* G 0 485 215.925 36.677 107.531 1.00737.35 C ATOM 9211 N9 G 0 485 215.697 37.665 106.478 1.00737.35 N ATOM 9212 C8 G 0 485 214.743 38.657 106.454 1.00737.35 C ATOM 9213 N7 G 0 485 214.773 39.372 105.363 1.00737.35 N ATOM 9214 C5 G 0 485 215.812 38.823 104.622 1.00737.35 C ATOM 9215 C6 G 0 485 216.314 39.178 103.345 1.00737.35 C ATOM 9216 O6 G 0 485 215.922 40.068 102.582 1.00737.35 O ATOM 9217 N1 G 0 485 217.381 38.365 102.973 1.00737.35 N ATOM 9218 C2 G 0 485 217.897 37.340 103.725 1.00737.35 C ATOM 9219 N2 G 0 485 218.932 36.673 103.187 1.00737.35 N ATOM 9220 N3 G 0 485 217.432 36.996 104.914 1.00737.35 N ATOM 9221 C4 G 0 485 216.398 37.773 105.299 1.00737.35 C ATOM 9222 P U 0 486 217.409 38.654 111.842 1.00737.35 P ATOM 9223 O1P U 0 486 218.074 38.101 113.052 1.00737.35 O ATOM 9224 O2P U 0 486 216.167 39.456 111.995 1.00737.35 O ATOM 9225 O5* U 0 486 218.484 39.516 111.042 1.00737.35 O ATOM 9226 C5* U 0 486 218.079 40.504 110.094 1.00737.35 C ATOM 9227 C4* U 0 486 218.949 41.735 110.221 1.00737.35 C ATOM 9228 O4* U 0 486 218.807 42.275 111.562 1.00737.35 O ATOM 9229 C3* U 0 486 220.444 41.496 110.061 1.00737.35 C ATOM 9230 O3* U 0 486 220.820 41.555 108.687 1.00737.35 O ATOM 9231 C2* U 0 486 221.042 42.651 110.856 1.00737.35 C ATOM 9232 O2* U 0 486 221.050 43.868 110.135 1.00737.35 O ATOM 9233 C1* U 0 486 220.059 42.753 112.026 1.00737.35 C ATOM 9234 N1 U 0 486 220.457 41.961 113.201 1.00737.35 N ATOM 9235 C2 U 0 486 221.274 42.562 114.148 1.00737.35 C ATOM 9236 O2 U 0 486 221.672 43.716 114.054 1.00737.35 O ATOM 9237 N3 U 0 486 221.609 41.762 115.213 1.00737.35 N ATOM 9238 C4 U 0 486 221.222 40.454 115.430 1.00737.35 C ATOM 9239 O4 U 0 486 221.616 39.865 116.436 1.00737.35 O ATOM 9240 C5 U 0 486 220.380 39.905 114.414 1.00737.35 C ATOM 9241 C6 U 0 486 220.034 40.654 113.362 1.00737.35 C ATOM 9242 P G 0 487 221.668 40.355 108.036 1.00737.35 P ATOM 9243 O1P G 0 487 221.975 40.749 106.636 1.00737.35 O ATOM 9244 O2P G 0 487 220.959 39.077 108.299 1.00737.35 O ATOM 9245 O5* G 0 487 223.033 40.343 108.863 1.00737.35 O ATOM 9246 C5* G 0 487 224.036 41.332 108.642 1.00737.35 C ATOM 9247 C4* G 0 487 225.180 41.145 109.611 1.00737.35 C ATOM 9248 O4* G 0 487 224.676 41.280 110.967 1.00737.35 O ATOM 9249 C3* G 0 487 225.852 39.781 109.599 1.00737.35 C ATOM 9250 O3* G 0 487 226.848 39.703 108.582 1.00737.35 O ATOM 9251 C2* G 0 487 226.469 39.712 110.992 1.00737.35 C ATOM 9252 O2* G 0 487 227.693 40.411 111.092 1.00737.35 O ATOM 9253 C1* G 0 487 225.401 40.423 111.832 1.00737.35 C ATOM 9254 N9 G 0 487 224.468 39.510 112.485 1.00737.35 N ATOM 9255 C8 G 0 487 223.291 39.011 111.978 1.00737.35 C ATOM 9256 N7 G 0 487 222.675 38.211 112.809 1.00737.35 N ATOM 9257 C5 G 0 487 223.495 38.180 113.928 1.00737.35 C ATOM 9258 C6 G 0 487 223.349 37.483 115.155 1.00737.35 C ATOM 9259 O6 G 0 487 222.436 36.728 115.509 1.00737.35 O ATOM 9260 N1 G 0 487 224.413 37.733 116.015 1.00737.35 N ATOM 9261 C2 G 0 487 225.482 38.550 115.732 1.00737.35 C ATOM 9262 N2 G 0 487 226.412 38.663 116.691 1.00737.35 N ATOM 9263 N3 G 0 487 225.629 39.205 114.595 1.00737.35 N ATOM 9264 C4 G 0 487 224.606 38.975 113.744 1.00737.35 C ATOM 9265 P A 0 488 227.003 38.357 107.715 1.00737.35 P ATOM 9266 O1P A 0 488 228.174 38.543 106.822 1.00737.35 O ATOM 9267 O2P A 0 488 225.680 38.023 107.130 1.00737.35 O ATOM 9268 O5* A 0 488 227.377 37.239 108.789 1.00737.35 O ATOM 9269 C5* A 0 488 227.372 35.856 108.440 1.00737.35 C ATOM 9270 C4* A 0 488 228.081 35.043 109.500 1.00737.35 C ATOM 9271 O4* A 0 488 229.481 35.422 109.542 1.00737.35 O ATOM 9272 C3* A 0 488 227.585 35.245 110.925 1.00737.35 C ATOM 9273 O3* A 0 488 226.469 34.401 111.193 1.00737.35 O ATOM 9274 C2* A 0 488 228.806 34.862 111.752 1.00737.35 C ATOM 9275 O2* A 0 488 228.944 33.466 111.929 1.00737.35 O ATOM 9276 C1* A 0 488 229.946 35.390 110.880 1.00737.35 C ATOM 9277 N9 A 0 488 230.397 36.736 111.243 1.00737.35 N ATOM 9278 C8 A 0 488 229.915 37.940 110.787 1.00737.35 C ATOM 9279 N7 A 0 488 230.532 38.982 111.289 1.00737.35 N ATOM 9280 C5 A 0 488 231.486 38.430 112.133 1.00737.35 C ATOM 9281 C6 A 0 488 232.464 39.007 112.960 1.00737.35 C ATOM 9282 N6 A 0 488 232.652 40.323 113.077 1.00737.35 N ATOM 9283 N1 A 0 488 233.255 38.176 113.674 1.00737.35 N ATOM 9284 C2 A 0 488 233.067 36.855 113.557 1.00737.35 C ATOM 9285 N3 A 0 488 232.184 36.193 112.814 1.00737.35 N ATOM 9286 C4 A 0 488 231.413 37.048 112.116 1.00737.35 C ATOM 9287 P A 0 489 225.350 34.867 112.249 1.00737.35 P ATOM 9288 O1P A 0 489 224.224 33.902 112.151 1.00737.35 O ATOM 9289 O2P A 0 489 225.091 36.315 112.055 1.00737.35 O ATOM 9290 O5* A 0 489 226.053 34.671 113.667 1.00737.35 O ATOM 9291 C5* A 0 489 226.345 33.368 114.167 1.00737.35 C ATOM 9292 C4* A 0 489 227.224 33.459 115.393 1.00737.35 C ATOM 9293 O4* A 0 489 228.488 34.072 115.028 1.00737.35 O ATOM 9294 C3* A 0 489 226.693 34.326 116.526 1.00737.35 C ATOM 9295 O3* A 0 489 225.815 33.581 117.366 1.00737.35 O ATOM 9296 C2* A 0 489 227.973 34.719 117.258 1.00737.35 C ATOM 9297 O2* A 0 489 228.440 33.716 118.139 1.00737.35 O ATOM 9298 C1* A 0 489 228.954 34.882 116.094 1.00737.35 C ATOM 9299 N9 A 0 489 229.072 36.259 115.613 1.00737.35 N ATOM 9300 C8 A 0 489 228.331 36.884 114.639 1.00737.35 C ATOM 9301 N7 A 0 489 228.673 38.132 114.430 1.00737.35 N ATOM 9302 C5 A 0 489 229.711 38.346 115.326 1.00737.35 C ATOM 9303 C6 A 0 489 230.508 39.472 115.601 1.00737.35 C ATOM 9304 N6 A 0 489 230.376 40.642 114.973 1.00737.35 N ATOM 9305 N1 A 0 489 231.456 39.353 116.555 1.00737.35 N ATOM 9306 C2 A 0 489 231.587 38.180 117.186 1.00737.35 C ATOM 9307 N3 A 0 489 230.902 37.050 117.016 1.00737.35 N ATOM 9308 C4 A 0 489 229.968 37.202 116.063 1.00737.35 C ATOM 9309 P A 0 490 224.623 34.333 118.143 1.00737.35 P ATOM 9310 O1P A 0 490 224.116 33.392 119.176 1.00737.35 O ATOM 9311 O2P A 0 490 223.686 34.887 117.134 1.00737.35 O ATOM 9312 O5* A 0 490 225.347 35.547 118.878 1.00737.35 O ATOM 9313 C5* A 0 490 224.786 36.146 120.045 1.00737.35 C ATOM 9314 C4* A 0 490 225.561 37.391 120.409 1.00737.35 C ATOM 9315 O4* A 0 490 225.439 38.358 119.335 1.00737.35 O ATOM 9316 C3* A 0 490 225.087 38.143 121.645 1.00737.35 C ATOM 9317 O3* A 0 490 225.651 37.547 122.816 1.00737.35 O ATOM 9318 C2* A 0 490 225.621 39.549 121.389 1.00737.35 C ATOM 9319 O2* A 0 490 226.986 39.701 121.720 1.00737.35 O ATOM 9320 C1* A 0 490 225.456 39.671 119.871 1.00737.35 C ATOM 9321 N9 A 0 490 224.235 40.359 119.458 1.00737.35 N ATOM 9322 C8 A 0 490 222.940 39.899 119.503 1.00737.35 C ATOM 9323 N7 A 0 490 222.056 40.758 119.060 1.00737.35 N ATOM 9324 C5 A 0 490 222.817 41.861 118.697 1.00737.35 C ATOM 9325 C6 A 0 490 222.471 43.111 118.157 1.00737.35 C ATOM 9326 N6 A 0 490 221.218 43.476 117.875 1.00737.35 N ATOM 9327 N1 A 0 490 223.470 43.988 117.910 1.00737.35 N ATOM 9328 C2 A 0 490 224.725 43.622 118.195 1.00737.35 C ATOM 9329 N3 A 0 490 225.177 42.478 118.706 1.00737.35 N ATOM 9330 C4 A 0 490 224.160 41.629 118.937 1.00737.35 C ATOM 9331 P A 0 491 225.226 38.074 124.279 1.00737.35 P ATOM 9332 O1P A 0 491 224.958 36.874 125.110 1.00737.35 O ATOM 9333 O2P A 0 491 224.178 39.119 124.145 1.00737.35 O ATOM 9334 O5* A 0 491 226.553 38.765 124.835 1.00737.35 O ATOM 9335 C5* A 0 491 227.815 38.511 124.220 1.00737.35 C ATOM 9336 C4* A 0 491 228.817 39.579 124.590 1.00737.35 C ATOM 9337 O4* A 0 491 230.006 39.371 123.777 1.00737.35 O ATOM 9338 C3* A 0 491 228.395 41.013 124.298 1.00737.35 C ATOM 9339 O3* A 0 491 227.701 41.577 125.412 1.00737.35 O ATOM 9340 C2* A 0 491 229.734 41.698 124.053 1.00737.35 C ATOM 9341 O2* A 0 491 230.428 42.013 125.243 1.00737.35 O ATOM 9342 C1* A 0 491 230.483 40.612 123.283 1.00737.35 C ATOM 9343 N9 A 0 491 230.253 40.645 121.836 1.00737.35 N ATOM 9344 C8 A 0 491 230.064 39.572 120.994 1.00737.35 C ATOM 9345 N7 A 0 491 229.869 39.909 119.742 1.00737.35 N ATOM 9346 C5 A 0 491 229.935 41.296 119.755 1.00737.35 C ATOM 9347 C6 A 0 491 229.801 42.257 118.736 1.00737.35 C ATOM 9348 N6 A 0 491 229.562 41.956 117.459 1.00737.35 N ATOM 9349 N1 A 0 491 229.920 43.557 119.083 1.00737.35 N ATOM 9350 C2 A 0 491 230.155 43.860 120.364 1.00737.35 C ATOM 9351 N3 A 0 491 230.299 43.047 121.410 1.00737.35 N ATOM 9352 C4 A 0 491 230.176 41.762 121.034 1.00737.35 C ATOM 9353 P G 0 492 227.091 43.067 125.312 1.00737.35 P ATOM 9354 O1P G 0 492 227.557 43.700 124.049 1.00737.35 O ATOM 9355 O2P G 0 492 227.352 43.743 126.606 1.00737.35 O ATOM 9356 O5* G 0 492 225.518 42.846 125.188 1.00737.35 O ATOM 9357 C5* G 0 492 224.963 42.061 124.135 1.00737.35 C ATOM 9358 C4* G 0 492 224.167 42.940 123.195 1.00737.35 C ATOM 9359 O4* G 0 492 223.563 42.109 122.168 1.00737.35 O ATOM 9360 C3* G 0 492 222.994 43.678 123.821 1.00737.35 C ATOM 9361 O3* G 0 492 223.429 44.907 124.394 1.00737.35 O ATOM 9362 C2* G 0 492 222.083 43.913 122.622 1.00737.35 C ATOM 9363 O2* G 0 492 222.474 45.022 121.834 1.00737.35 O ATOM 9364 C1* G 0 492 222.284 42.622 121.831 1.00737.35 C ATOM 9365 N9 G 0 492 221.282 41.597 122.120 1.00737.35 N ATOM 9366 C8 G 0 492 221.346 40.618 123.081 1.00737.35 C ATOM 9367 N7 G 0 492 220.292 39.848 123.098 1.00737.35 N ATOM 9368 C5 G 0 492 219.484 40.346 122.088 1.00737.35 C ATOM 9369 C6 G 0 492 218.209 39.918 121.636 1.00737.35 C ATOM 9370 O6 G 0 492 217.517 38.981 122.052 1.00737.35 O ATOM 9371 N1 G 0 492 217.748 40.707 120.584 1.00737.35 N ATOM 9372 C2 G 0 492 218.425 41.769 120.040 1.00737.35 C ATOM 9373 N2 G 0 492 217.811 42.405 119.031 1.00737.35 N ATOM 9374 N3 G 0 492 219.612 42.178 120.454 1.00737.35 N ATOM 9375 C4 G 0 492 220.081 41.426 121.473 1.00737.35 C ATOM 9376 P A 0 493 222.730 45.454 125.733 1.00737.35 P ATOM 9377 O1P A 0 493 223.145 44.566 126.848 1.00737.35 O ATOM 9378 O2P A 0 493 221.284 45.661 125.458 1.00737.35 O ATOM 9379 O5* A 0 493 223.401 46.882 125.953 1.00737.35 O ATOM 9380 C5* A 0 493 224.805 47.006 126.181 1.00737.35 C ATOM 9381 C4* A 0 493 225.266 48.409 125.855 1.00737.35 C ATOM 9382 O4* A 0 493 225.090 48.657 124.436 1.00737.35 O ATOM 9383 C3* A 0 493 224.495 49.528 126.536 1.00737.35 C ATOM 9384 O3* A 0 493 225.008 49.772 127.843 1.00737.35 O ATOM 9385 C2* A 0 493 224.733 50.704 125.598 1.00737.35 C ATOM 9386 O2* A 0 493 225.981 51.336 125.803 1.00737.35 O ATOM 9387 C1* A 0 493 224.720 50.012 124.232 1.00737.35 C ATOM 9388 N9 A 0 493 223.413 50.039 123.573 1.00737.35 N ATOM 9389 C8 A 0 493 222.390 49.130 123.688 1.00737.35 C ATOM 9390 N7 A 0 493 221.336 49.427 122.971 1.00737.35 N ATOM 9391 C5 A 0 493 221.684 50.612 122.339 1.00737.35 C ATOM 9392 C6 A 0 493 220.993 51.443 121.437 1.00737.35 C ATOM 9393 N6 A 0 493 219.756 51.196 121.002 1.00737.35 N ATOM 9394 N1 A 0 493 221.626 52.554 120.998 1.00737.35 N ATOM 9395 C2 A 0 493 222.867 52.800 121.436 1.00737.35 C ATOM 9396 N3 A 0 493 223.619 52.098 122.281 1.00737.35 N ATOM 9397 C4 A 0 493 222.962 51.001 122.700 1.00737.35 C ATOM 9398 P A 0 494 224.026 50.296 129.001 1.00737.35 P ATOM 9399 O1P A 0 494 222.929 49.300 129.140 1.00737.35 O ATOM 9400 O2P A 0 494 223.693 51.715 128.716 1.00737.35 O ATOM 9401 O5* A 0 494 224.927 50.252 130.314 1.00737.35 O ATOM 9402 C5* A 0 494 224.933 49.111 131.170 1.00737.35 C ATOM 9403 C4* A 0 494 226.218 49.052 131.962 1.00737.35 C ATOM 9404 O4* A 0 494 227.327 48.796 131.060 1.00737.35 O ATOM 9405 C3* A 0 494 226.606 50.333 132.682 1.00737.35 C ATOM 9406 O3* A 0 494 225.956 50.429 133.946 1.00737.35 O ATOM 9407 C2* A 0 494 228.114 50.175 132.835 1.00737.35 C ATOM 9408 O2* A 0 494 228.483 49.356 133.928 1.00737.35 O ATOM 9409 C1* A 0 494 228.483 49.479 131.520 1.00737.35 C ATOM 9410 N9 A 0 494 228.933 50.398 130.471 1.00737.35 N ATOM 9411 C8 A 0 494 228.203 50.916 129.428 1.00737.35 C ATOM 9412 N7 A 0 494 228.890 51.715 128.649 1.00737.35 N ATOM 9413 C5 A 0 494 230.157 51.725 129.216 1.00737.35 C ATOM 9414 C6 A 0 494 231.349 52.383 128.860 1.00737.35 C ATOM 9415 N6 A 0 494 231.459 53.194 127.805 1.00737.35 N ATOM 9416 N1 A 0 494 232.434 52.181 129.637 1.00737.35 N ATOM 9417 C2 A 0 494 232.320 51.370 130.696 1.00737.35 C ATOM 9418 N3 A 0 494 231.259 50.696 131.132 1.00737.35 N ATOM 9419 C4 A 0 494 230.197 50.919 130.339 1.00737.35 C ATOM 9420 P C 0 495 225.150 51.766 134.329 1.00737.35 P ATOM 9421 O1P C 0 495 224.888 51.726 135.790 1.00737.35 O ATOM 9422 O2P C 0 495 224.009 51.905 133.385 1.00737.35 O ATOM 9423 O5* C 0 495 226.182 52.943 134.033 1.00737.35 O ATOM 9424 C5* C 0 495 227.360 53.100 134.822 1.00737.35 C ATOM 9425 C4* C 0 495 228.301 54.087 134.167 1.00737.35 C ATOM 9426 O4* C 0 495 228.745 53.555 132.892 1.00737.35 O ATOM 9427 C3* C 0 495 227.702 55.441 133.820 1.00737.35 C ATOM 9428 O3* C 0 495 227.718 56.318 134.941 1.00737.35 O ATOM 9429 C2* C 0 495 228.618 55.922 132.702 1.00737.35 C ATOM 9430 O2* C 0 495 229.831 56.474 133.174 1.00737.35 O ATOM 9431 C1* C 0 495 228.896 54.613 131.957 1.00737.35 C ATOM 9432 N1 C 0 495 227.981 54.379 130.822 1.00737.35 N ATOM 9433 C2 C 0 495 228.317 54.893 129.557 1.00737.35 C ATOM 9434 O2 C 0 495 229.375 55.534 129.425 1.00737.35 O ATOM 9435 N3 C 0 495 227.481 54.680 128.516 1.00737.35 N ATOM 9436 C4 C 0 495 226.351 53.993 128.694 1.00737.35 C ATOM 9437 N4 C 0 495 225.558 53.811 127.635 1.00737.35 N ATOM 9438 C5 C 0 495 225.983 53.462 129.963 1.00737.35 C ATOM 9439 C6 C 0 495 226.817 53.676 130.989 1.00737.35 C ATOM 9440 P C 0 496 226.634 57.502 135.041 1.00737.35 P ATOM 9441 O1P C 0 496 226.844 58.181 136.345 1.00737.35 O ATOM 9442 O2P C 0 496 225.295 56.946 134.714 1.00737.35 O ATOM 9443 O5* C 0 496 227.051 58.508 133.878 1.00737.35 O ATOM 9444 C5* C 0 496 228.220 59.316 133.995 1.00737.35 C ATOM 9445 C4* C 0 496 228.326 60.265 132.822 1.00737.35 C ATOM 9446 O4* C 0 496 228.563 59.515 131.603 1.00737.35 O ATOM 9447 C3* C 0 496 227.087 61.089 132.514 1.00737.35 C ATOM 9448 O3* C 0 496 227.014 62.240 133.349 1.00737.35 O ATOM 9449 C2* C 0 496 227.300 61.457 131.049 1.00737.35 C ATOM 9450 O2* C 0 496 228.170 62.558 130.873 1.00737.35 O ATOM 9451 C1* C 0 496 227.960 60.184 130.507 1.00737.35 C ATOM 9452 N1 C 0 496 227.014 59.263 129.841 1.00737.35 N ATOM 9453 C2 C 0 496 226.713 59.467 128.483 1.00737.35 C ATOM 9454 O2 C 0 496 227.246 60.414 127.879 1.00737.35 O ATOM 9455 N3 C 0 496 225.850 58.628 127.866 1.00737.35 N ATOM 9456 C4 C 0 496 225.294 57.622 128.544 1.00737.35 C ATOM 9457 N4 C 0 496 224.447 56.823 127.893 1.00737.35 N ATOM 9458 C5 C 0 496 225.580 57.393 129.921 1.00737.35 C ATOM 9459 C6 C 0 496 226.437 58.228 130.526 1.00737.35 C ATOM 9460 P C 0 497 225.579 62.853 133.737 1.00737.35 P ATOM 9461 O1P C 0 497 225.816 63.921 134.744 1.00737.35 O ATOM 9462 O2P C 0 497 224.658 61.733 134.064 1.00737.35 O ATOM 9463 O5* C 0 497 225.073 63.536 132.389 1.00737.35 O ATOM 9464 C5* C 0 497 225.635 64.767 131.938 1.00737.35 C ATOM 9465 C4* C 0 497 224.876 65.284 130.737 1.00737.35 C ATOM 9466 O4* C 0 497 225.071 64.387 129.613 1.00737.35 O ATOM 9467 C3* C 0 497 223.366 65.367 130.889 1.00737.35 C ATOM 9468 O3* C 0 497 222.982 66.567 131.553 1.00737.35 O ATOM 9469 C2* C 0 497 222.895 65.336 129.438 1.00737.35 C ATOM 9470 O2* C 0 497 222.981 66.594 128.799 1.00737.35 O ATOM 9471 C1* C 0 497 223.899 64.365 128.812 1.00737.35 C ATOM 9472 N1 C 0 497 223.404 62.974 128.726 1.00737.35 N ATOM 9473 C2 C 0 497 222.655 62.588 127.601 1.00737.35 C ATOM 9474 O2 C 0 497 222.427 63.422 126.709 1.00737.35 O ATOM 9475 N3 C 0 497 222.198 61.318 127.517 1.00737.35 N ATOM 9476 C4 C 0 497 222.460 60.449 128.494 1.00737.35 C ATOM 9477 N4 C 0 497 221.986 59.205 128.366 1.00737.35 N ATOM 9478 C5 C 0 497 223.219 60.810 129.645 1.00737.35 C ATOM 9479 C6 C 0 497 223.666 62.069 129.720 1.00737.35 C ATOM 9480 P C 0 498 221.628 66.602 132.420 1.00737.35 P ATOM 9481 O1P C 0 498 221.655 67.849 133.226 1.00737.35 O ATOM 9482 O2P C 0 498 221.468 65.291 133.104 1.00737.35 O ATOM 9483 O5* C 0 498 220.475 66.733 131.328 1.00737.35 O ATOM 9484 C5* C 0 498 220.206 67.983 130.694 1.00737.35 C ATOM 9485 C4* C 0 498 219.030 67.856 129.753 1.00737.35 C ATOM 9486 O4* C 0 498 219.380 66.974 128.655 1.00737.35 O ATOM 9487 C3* C 0 498 217.771 67.237 130.339 1.00737.35 C ATOM 9488 O3* C 0 498 216.998 68.208 131.039 1.00737.35 O ATOM 9489 C2* C 0 498 217.055 66.724 129.095 1.00737.35 C ATOM 9490 O2* C 0 498 216.340 67.733 128.410 1.00737.35 O ATOM 9491 C1* C 0 498 218.233 66.250 128.238 1.00737.35 C ATOM 9492 N1 C 0 498 218.510 64.804 128.363 1.00737.35 N ATOM 9493 C2 C 0 498 217.864 63.912 127.489 1.00737.35 C ATOM 9494 O2 C 0 498 217.085 64.361 126.631 1.00737.35 O ATOM 9495 N3 C 0 498 218.105 62.587 127.603 1.00737.35 N ATOM 9496 C4 C 0 498 218.949 62.139 128.535 1.00737.35 C ATOM 9497 N4 C 0 498 219.154 60.821 128.611 1.00737.35 N ATOM 9498 C5 C 0 498 219.619 63.019 129.434 1.00737.35 C ATOM 9499 C6 C 0 498 219.373 64.331 129.313 1.00737.35 C ATOM 9500 P G 0 499 216.253 67.798 132.405 1.00737.35 P ATOM 9501 O1P G 0 499 215.545 69.008 132.897 1.00737.35 O ATOM 9502 O2P G 0 499 217.230 67.110 133.286 1.00737.35 O ATOM 9503 O5* G 0 499 215.161 66.731 131.943 1.00737.35 O ATOM 9504 C5* G 0 499 213.994 67.135 131.230 1.00737.35 C ATOM 9505 C4* G 0 499 213.156 65.930 130.863 1.00737.35 C ATOM 9506 O4* G 0 499 213.897 65.092 129.937 1.00737.35 O ATOM 9507 C3* G 0 499 212.797 64.995 132.007 1.00737.35 C ATOM 9508 O3* G 0 499 211.654 65.462 132.717 1.00737.35 O ATOM 9509 C2* G 0 499 212.519 63.687 131.277 1.00737.35 C ATOM 9510 O2* G 0 499 211.230 63.635 130.702 1.00737.35 O ATOM 9511 C1* G 0 499 213.577 63.728 130.172 1.00737.35 C ATOM 9512 N9 G 0 499 214.803 63.014 130.522 1.00737.35 N ATOM 9513 C8 G 0 499 215.954 63.545 131.059 1.00737.35 C ATOM 9514 N7 G 0 499 216.881 62.653 131.268 1.00737.35 N ATOM 9515 C5 G 0 499 216.314 61.460 130.840 1.00737.35 C ATOM 9516 C6 G 0 499 216.843 60.143 130.823 1.00737.35 C ATOM 9517 O6 G 0 499 217.958 59.756 131.191 1.00737.35 O ATOM 9518 N1 G 0 499 215.928 59.231 130.311 1.00737.35 N ATOM 9519 C2 G 0 499 214.664 59.541 129.871 1.00737.35 C ATOM 9520 N2 G 0 499 213.931 58.518 129.408 1.00737.35 N ATOM 9521 N3 G 0 499 214.159 60.763 129.882 1.00737.35 N ATOM 9522 C4 G 0 499 215.032 61.665 130.377 1.00737.35 C ATOM 9523 P G 0 500 211.483 65.107 134.277 1.00737.35 P ATOM 9524 O1P G 0 500 210.249 65.785 134.747 1.00737.35 O ATOM 9525 O2P G 0 500 212.773 65.370 134.965 1.00737.35 O ATOM 9526 O5* G 0 500 211.218 63.536 134.288 1.00737.35 O ATOM 9527 C5* G 0 500 211.169 62.810 135.515 1.00737.35 C ATOM 9528 C4* G 0 500 210.335 61.558 135.351 1.00737.35 C ATOM 9529 O4* G 0 500 208.973 61.932 135.011 1.00737.35 O ATOM 9530 C3* G 0 500 210.760 60.617 134.234 1.00737.35 C ATOM 9531 O3* G 0 500 211.787 59.732 134.672 1.00737.35 O ATOM 9532 C2* G 0 500 209.465 59.869 133.933 1.00737.35 C ATOM 9533 O2* G 0 500 209.204 58.817 134.841 1.00737.35 O ATOM 9534 C1* G 0 500 208.425 60.978 134.114 1.00737.35 C ATOM 9535 N9 G 0 500 208.081 61.660 132.866 1.00737.35 N ATOM 9536 C8 G 0 500 208.695 62.764 132.326 1.00737.35 C ATOM 9537 N7 G 0 500 208.163 63.144 131.197 1.00737.35 N ATOM 9538 C5 G 0 500 207.136 62.238 130.977 1.00737.35 C ATOM 9539 C6 G 0 500 206.204 62.143 129.909 1.00737.35 C ATOM 9540 O6 G 0 500 206.100 62.867 128.911 1.00737.35 O ATOM 9541 N1 G 0 500 205.333 61.073 130.085 1.00737.35 N ATOM 9542 C2 G 0 500 205.351 60.204 131.148 1.00737.35 C ATOM 9543 N2 G 0 500 204.425 59.234 131.135 1.00737.35 N ATOM 9544 N3 G 0 500 206.213 60.281 132.149 1.00737.35 N ATOM 9545 C4 G 0 500 207.070 61.314 132.000 1.00737.35 C ATOM 9546 P G 0 501 212.863 59.172 133.615 1.00737.35 P ATOM 9547 O1P G 0 501 213.773 58.258 134.353 1.00737.35 O ATOM 9548 O2P G 0 501 213.431 60.323 132.867 1.00737.35 O ATOM 9549 O5* G 0 501 211.996 58.300 132.601 1.00737.35 O ATOM 9550 C5* G 0 501 211.304 57.132 133.042 1.00737.35 C ATOM 9551 C4* G 0 501 210.346 56.655 131.973 1.00737.35 C ATOM 9552 O4* G 0 501 209.370 57.697 131.710 1.00737.35 O ATOM 9553 C3* G 0 501 210.963 56.359 130.614 1.00737.35 C ATOM 9554 O3* G 0 501 211.480 55.032 130.571 1.00737.35 O ATOM 9555 C2* G 0 501 209.776 56.537 129.673 1.00737.35 C ATOM 9556 O2* G 0 501 208.928 55.406 129.628 1.00737.35 O ATOM 9557 C1* G 0 501 209.042 57.710 130.330 1.00737.35 C ATOM 9558 N9 G 0 501 209.407 59.012 129.781 1.00737.35 N ATOM 9559 C8 G 0 501 210.476 59.799 130.147 1.00737.35 C ATOM 9560 N7 G 0 501 210.545 60.916 129.473 1.00737.35 N ATOM 9561 C5 G 0 501 209.455 60.867 128.614 1.00737.35 C ATOM 9562 C6 G 0 501 209.010 61.800 127.640 1.00737.35 C ATOM 9563 O6 G 0 501 209.506 62.891 127.337 1.00737.35 O ATOM 9564 N1 G 0 501 207.867 61.352 126.990 1.00737.35 N ATOM 9565 C2 G 0 501 207.229 60.163 127.241 1.00737.35 C ATOM 9566 N2 G 0 501 206.136 59.911 126.506 1.00737.35 N ATOM 9567 N3 G 0 501 207.631 59.284 128.144 1.00737.35 N ATOM 9568 C4 G 0 501 208.746 59.698 128.789 1.00737.35 C ATOM 9569 P A 0 502 212.696 54.678 129.579 1.00737.35 P ATOM 9570 O1P A 0 502 213.025 53.244 129.779 1.00737.35 O ATOM 9571 O2P A 0 502 213.757 55.702 129.750 1.00737.35 O ATOM 9572 O5* A 0 502 212.069 54.847 128.123 1.00737.35 O ATOM 9573 C5* A 0 502 211.047 53.969 127.658 1.00737.35 C ATOM 9574 C4* A 0 502 210.481 54.469 126.348 1.00737.35 C ATOM 9575 O4* A 0 502 209.872 55.771 126.555 1.00737.35 O ATOM 9576 C3* A 0 502 211.488 54.696 125.232 1.00737.35 C ATOM 9577 O3* A 0 502 211.753 53.488 124.525 1.00737.35 O ATOM 9578 C2* A 0 502 210.773 55.716 124.354 1.00737.35 C ATOM 9579 O2* A 0 502 209.821 55.133 123.487 1.00737.35 O ATOM 9580 C1* A 0 502 210.062 56.575 125.402 1.00737.35 C ATOM 9581 N9 A 0 502 210.818 57.770 125.788 1.00737.35 N ATOM 9582 C8 A 0 502 211.781 57.887 126.762 1.00737.35 C ATOM 9583 N7 A 0 502 212.281 59.093 126.870 1.00737.35 N ATOM 9584 C5 A 0 502 211.602 59.822 125.903 1.00737.35 C ATOM 9585 C6 A 0 502 211.674 61.172 125.511 1.00737.35 C ATOM 9586 N6 A 0 502 212.498 62.061 126.069 1.00737.35 N ATOM 9587 N1 A 0 502 210.861 61.579 124.513 1.00737.35 N ATOM 9588 C2 A 0 502 210.034 60.687 123.955 1.00737.35 C ATOM 9589 N3 A 0 502 209.875 59.395 124.235 1.00737.35 N ATOM 9590 C4 A 0 502 210.697 59.021 125.229 1.00737.35 C ATOM 9591 P G 0 503 213.252 53.145 124.055 1.00737.35 P ATOM 9592 O1P G 0 503 213.182 51.929 123.203 1.00737.35 O ATOM 9593 O2P G 0 503 214.130 53.147 125.255 1.00737.35 O ATOM 9594 O5* G 0 503 213.666 54.375 123.133 1.00737.35 O ATOM 9595 C5* G 0 503 212.917 54.705 121.963 1.00737.35 C ATOM 9596 C4* G 0 503 213.255 56.103 121.499 1.00737.35 C ATOM 9597 O4* G 0 503 212.948 57.043 122.564 1.00737.35 O ATOM 9598 C3* G 0 503 214.723 56.359 121.183 1.00737.35 C ATOM 9599 O3* G 0 503 215.038 55.966 119.851 1.00737.35 O ATOM 9600 C2* G 0 503 214.833 57.866 121.379 1.00737.35 C ATOM 9601 O2* G 0 503 214.352 58.608 120.277 1.00737.35 O ATOM 9602 C1* G 0 503 213.920 58.078 122.587 1.00737.35 C ATOM 9603 N9 G 0 503 214.632 58.013 123.862 1.00737.35 N ATOM 9604 C8 G 0 503 214.909 56.889 124.605 1.00737.35 C ATOM 9605 N7 G 0 503 215.575 57.147 125.696 1.00737.35 N ATOM 9606 C5 G 0 503 215.747 58.524 125.678 1.00737.35 C ATOM 9607 C6 G 0 503 216.397 59.380 126.603 1.00737.35 C ATOM 9608 O6 G 0 503 216.974 59.082 127.658 1.00737.35 O ATOM 9609 N1 G 0 503 216.339 60.710 126.198 1.00737.35 N ATOM 9610 C2 G 0 503 215.733 61.160 125.051 1.00737.35 C ATOM 9611 N2 G 0 503 215.781 62.484 124.836 1.00737.35 N ATOM 9612 N3 G 0 503 215.125 60.374 124.178 1.00737.35 N ATOM 9613 C4 G 0 503 215.169 59.075 124.554 1.00737.35 C ATOM 9614 P G 0 504 216.563 55.635 119.454 1.00737.35 P ATOM 9615 O1P G 0 504 216.554 55.122 118.061 1.00737.35 O ATOM 9616 O2P G 0 504 217.165 54.814 120.533 1.00737.35 O ATOM 9617 O5* G 0 504 217.279 57.059 119.452 1.00737.35 O ATOM 9618 C5* G 0 504 216.872 58.082 118.546 1.00737.35 C ATOM 9619 C4* G 0 504 217.507 59.402 118.916 1.00737.35 C ATOM 9620 O4* G 0 504 217.082 59.781 120.254 1.00737.35 O ATOM 9621 C3* G 0 504 219.026 59.420 118.994 1.00737.35 C ATOM 9622 O3* G 0 504 219.601 59.615 117.703 1.00737.35 O ATOM 9623 C2* G 0 504 219.288 60.602 119.917 1.00737.35 C ATOM 9624 O2* G 0 504 219.210 61.851 119.259 1.00737.35 O ATOM 9625 C1* G 0 504 218.132 60.471 120.912 1.00737.35 C ATOM 9626 N9 G 0 504 218.493 59.730 122.119 1.00737.35 N ATOM 9627 C8 G 0 504 218.396 58.374 122.327 1.00737.35 C ATOM 9628 N7 G 0 504 218.803 58.007 123.512 1.00737.35 N ATOM 9629 C5 G 0 504 219.192 59.189 124.125 1.00737.35 C ATOM 9630 C6 G 0 504 219.721 59.421 125.423 1.00737.35 C ATOM 9631 O6 G 0 504 219.961 58.601 126.317 1.00737.35 O ATOM 9632 N1 G 0 504 219.974 60.773 125.635 1.00737.35 N ATOM 9633 C2 G 0 504 219.749 61.773 124.721 1.00737.35 C ATOM 9634 N2 G 0 504 220.060 63.016 125.118 1.00737.35 N ATOM 9635 N3 G 0 504 219.259 61.570 123.512 1.00737.35 N ATOM 9636 C4 G 0 504 219.006 60.265 123.280 1.00737.35 C ATOM 9637 P G 0 505 221.110 59.138 117.420 1.00737.35 P ATOM 9638 O1P G 0 505 221.380 59.359 115.977 1.00737.35 O ATOM 9639 O2P G 0 505 221.295 57.782 118.000 1.00737.35 O ATOM 9640 O5* G 0 505 221.999 60.162 118.257 1.00737.35 O ATOM 9641 C5* G 0 505 222.009 61.553 117.941 1.00737.35 C ATOM 9642 C4* G 0 505 222.816 62.324 118.962 1.00737.35 C ATOM 9643 O4* G 0 505 222.196 62.184 120.269 1.00737.35 O ATOM 9644 C3* G 0 505 224.244 61.849 119.173 1.00737.35 C ATOM 9645 O3* G 0 505 225.118 62.420 118.204 1.00737.35 O ATOM 9646 C2* G 0 505 224.550 62.357 120.577 1.00737.35 C ATOM 9647 O2* G 0 505 224.913 63.723 120.608 1.00737.35 O ATOM 9648 C1* G 0 505 223.199 62.166 121.272 1.00737.35 C ATOM 9649 N9 G 0 505 223.093 60.912 122.017 1.00737.35 N ATOM 9650 C8 G 0 505 222.460 59.758 121.622 1.00737.35 C ATOM 9651 N7 G 0 505 222.534 58.803 122.508 1.00737.35 N ATOM 9652 C5 G 0 505 223.263 59.356 123.552 1.00737.35 C ATOM 9653 C6 G 0 505 223.664 58.796 124.794 1.00737.35 C ATOM 9654 O6 G 0 505 223.447 57.660 125.234 1.00737.35 O ATOM 9655 N1 G 0 505 224.390 59.707 125.554 1.00737.35 N ATOM 9656 C2 G 0 505 224.693 60.991 125.174 1.00737.35 C ATOM 9657 N2 G 0 505 225.405 61.717 126.049 1.00737.35 N ATOM 9658 N3 G 0 505 224.322 61.526 124.021 1.00737.35 N ATOM 9659 C4 G 0 505 223.617 60.659 123.266 1.00737.35 C ATOM 9660 P G 0 506 226.435 61.618 117.744 1.00737.35 P ATOM 9661 O1P G 0 506 227.181 62.499 116.811 1.00737.35 O ATOM 9662 O2P G 0 506 226.026 60.259 117.302 1.00737.35 O ATOM 9663 O5* G 0 506 227.288 61.482 119.083 1.00737.35 O ATOM 9664 C5* G 0 506 228.363 60.551 119.177 1.00737.35 C ATOM 9665 C4* G 0 506 229.094 60.726 120.488 1.00737.35 C ATOM 9666 O4* G 0 506 228.145 60.627 121.584 1.00737.35 O ATOM 9667 C3* G 0 506 230.139 59.666 120.794 1.00737.35 C ATOM 9668 O3* G 0 506 231.386 59.988 120.189 1.00737.35 O ATOM 9669 C2* G 0 506 230.217 59.715 122.317 1.00737.35 C ATOM 9670 O2* G 0 506 231.029 60.770 122.795 1.00737.35 O ATOM 9671 C1* G 0 506 228.755 59.978 122.688 1.00737.35 C ATOM 9672 N9 G 0 506 227.999 58.765 122.989 1.00737.35 N ATOM 9673 C8 G 0 506 227.116 58.108 122.165 1.00737.35 C ATOM 9674 N7 G 0 506 226.585 57.050 122.717 1.00737.35 N ATOM 9675 C5 G 0 506 227.155 57.003 123.983 1.00737.35 C ATOM 9676 C6 G 0 506 226.965 56.076 125.043 1.00737.35 C ATOM 9677 O6 G 0 506 226.230 55.079 125.072 1.00737.35 O ATOM 9678 N1 G 0 506 227.739 56.401 126.150 1.00737.35 N ATOM 9679 C2 G 0 506 228.589 57.476 126.233 1.00737.35 C ATOM 9680 N2 G 0 506 229.253 57.617 127.391 1.00737.35 N ATOM 9681 N3 G 0 506 228.773 58.350 125.257 1.00737.35 N ATOM 9682 C4 G 0 506 228.029 58.053 124.169 1.00737.35 C ATOM 9683 P A 0 507 232.342 58.809 119.652 1.00737.35 P ATOM 9684 O1P A 0 507 233.584 59.446 119.144 1.00737.35 O ATOM 9685 O2P A 0 507 231.547 57.935 118.751 1.00737.35 O ATOM 9686 O5* A 0 507 232.703 57.977 120.961 1.00737.35 O ATOM 9687 C5* A 0 507 233.502 58.547 121.999 1.00737.35 C ATOM 9688 C4* A 0 507 233.545 57.624 123.195 1.00737.35 C ATOM 9689 O4* A 0 507 232.206 57.478 123.735 1.00737.35 O ATOM 9690 C3* A 0 507 233.998 56.200 122.914 1.00737.35 C ATOM 9691 O3* A 0 507 235.419 56.103 122.927 1.00737.35 O ATOM 9692 C2* A 0 507 233.364 55.427 124.063 1.00737.35 C ATOM 9693 O2* A 0 507 234.101 55.513 125.267 1.00737.35 O ATOM 9694 C1* A 0 507 232.028 56.156 124.220 1.00737.35 C ATOM 9695 N9 A 0 507 230.930 55.534 123.478 1.00737.35 N ATOM 9696 C8 A 0 507 230.553 55.761 122.176 1.00737.35 C ATOM 9697 N7 A 0 507 229.525 55.047 121.790 1.00737.35 N ATOM 9698 C5 A 0 507 229.201 54.296 122.912 1.00737.35 C ATOM 9699 C6 A 0 507 228.200 53.338 123.153 1.00737.35 C ATOM 9700 N6 A 0 507 227.304 52.958 122.241 1.00737.35 N ATOM 9701 N1 A 0 507 228.151 52.778 124.381 1.00737.35 N ATOM 9702 C2 A 0 507 229.050 53.161 125.296 1.00737.35 C ATOM 9703 N3 A 0 507 230.035 54.047 125.191 1.00737.35 N ATOM 9704 C4 A 0 507 230.058 54.587 123.959 1.00737.35 C ATOM 9705 P G 0 508 236.159 55.070 121.941 1.00737.35 P ATOM 9706 O1P G 0 508 237.617 55.172 122.207 1.00737.35 O ATOM 9707 O2P G 0 508 235.648 55.288 120.563 1.00737.35 O ATOM 9708 O5* G 0 508 235.662 53.637 122.434 1.00737.35 O ATOM 9709 C5* G 0 508 235.997 53.151 123.733 1.00737.35 C ATOM 9710 C4* G 0 508 235.227 51.885 124.034 1.00737.35 C ATOM 9711 O4* G 0 508 233.806 52.177 124.032 1.00737.35 O ATOM 9712 C3* G 0 508 235.385 50.759 123.023 1.00737.35 C ATOM 9713 O3* G 0 508 236.548 49.985 123.301 1.00737.35 O ATOM 9714 C2* G 0 508 234.102 49.961 123.225 1.00737.35 C ATOM 9715 O2* G 0 508 234.161 49.087 124.336 1.00737.35 O ATOM 9716 C1* G 0 508 233.090 51.076 123.497 1.00737.35 C ATOM 9717 N9 G 0 508 232.377 51.527 122.303 1.00737.35 N ATOM 9718 C8 G 0 508 232.825 52.414 121.352 1.00737.35 C ATOM 9719 N7 G 0 508 231.962 52.621 120.396 1.00737.35 N ATOM 9720 C5 G 0 508 230.877 51.823 120.733 1.00737.35 C ATOM 9721 C6 G 0 508 229.636 51.633 120.071 1.00737.35 C ATOM 9722 O6 G 0 508 229.237 52.145 119.020 1.00737.35 O ATOM 9723 N1 G 0 508 228.823 50.735 120.758 1.00737.35 N ATOM 9724 C2 G 0 508 229.157 50.103 121.929 1.00737.35 C ATOM 9725 N2 G 0 508 228.237 49.272 122.438 1.00737.35 N ATOM 9726 N3 G 0 508 230.311 50.272 122.558 1.00737.35 N ATOM 9727 C4 G 0 508 231.116 51.140 121.907 1.00737.35 C ATOM 9728 P U 0 509 237.326 49.248 122.101 1.00737.35 P ATOM 9729 O1P U 0 509 238.588 48.704 122.666 1.00737.35 O ATOM 9730 O2P U 0 509 237.382 50.166 120.935 1.00737.35 O ATOM 9731 O5* U 0 509 236.381 48.023 121.723 1.00737.35 O ATOM 9732 C5* U 0 509 236.174 46.945 122.637 1.00737.35 C ATOM 9733 C4* U 0 509 235.001 46.100 122.195 1.00737.35 C ATOM 9734 O4* U 0 509 233.804 46.920 122.180 1.00737.35 O ATOM 9735 C3* U 0 509 235.086 45.531 120.785 1.00737.35 C ATOM 9736 O3* U 0 509 235.814 44.306 120.767 1.00737.35 O ATOM 9737 C2* U 0 509 233.618 45.303 120.448 1.00737.35 C ATOM 9738 O2* U 0 509 233.100 44.112 121.005 1.00737.35 O ATOM 9739 C1* U 0 509 232.960 46.516 121.113 1.00737.35 C ATOM 9740 N1 U 0 509 232.773 47.655 120.197 1.00737.35 N ATOM 9741 C2 U 0 509 231.610 47.691 119.441 1.00737.35 C ATOM 9742 O2 U 0 509 230.743 46.833 119.508 1.00737.35 O ATOM 9743 N3 U 0 509 231.498 48.772 118.603 1.00737.35 N ATOM 9744 C4 U 0 509 232.404 49.798 118.443 1.00737.35 C ATOM 9745 O4 U 0 509 232.160 50.703 117.644 1.00737.35 O ATOM 9746 C5 U 0 509 233.576 49.692 119.257 1.00737.35 C ATOM 9747 C6 U 0 509 233.719 48.652 120.084 1.00737.35 C ATOM 9748 P G 0 510 236.904 44.042 119.612 1.00737.35 P ATOM 9749 O1P G 0 510 237.159 42.579 119.573 1.00737.35 O ATOM 9750 O2P G 0 510 238.037 44.978 119.823 1.00737.35 O ATOM 9751 O5* G 0 510 236.165 44.454 118.259 1.00737.35 O ATOM 9752 C5* G 0 510 234.965 43.803 117.846 1.00737.35 C ATOM 9753 C4* G 0 510 234.256 44.631 116.798 1.00737.35 C ATOM 9754 O4* G 0 510 233.953 45.937 117.355 1.00737.35 O ATOM 9755 C3* G 0 510 235.057 44.930 115.541 1.00737.35 C ATOM 9756 O3* G 0 510 234.946 43.869 114.595 1.00737.35 O ATOM 9757 C2* G 0 510 234.410 46.216 115.041 1.00737.35 C ATOM 9758 O2* G 0 510 233.204 45.994 114.337 1.00737.35 O ATOM 9759 C1* G 0 510 234.121 46.935 116.357 1.00737.35 C ATOM 9760 N9 G 0 510 235.198 47.830 116.776 1.00737.35 N ATOM 9761 C8 G 0 510 236.236 47.538 117.632 1.00737.35 C ATOM 9762 N7 G 0 510 237.048 48.541 117.814 1.00737.35 N ATOM 9763 C5 G 0 510 236.520 49.561 117.032 1.00737.35 C ATOM 9764 C6 G 0 510 236.971 50.889 116.827 1.00737.35 C ATOM 9765 O6 G 0 510 237.962 51.450 117.310 1.00737.35 O ATOM 9766 N1 G 0 510 236.138 51.584 115.958 1.00737.35 N ATOM 9767 C2 G 0 510 235.012 51.068 115.360 1.00737.35 C ATOM 9768 N2 G 0 510 234.338 51.899 114.552 1.00737.35 N ATOM 9769 N3 G 0 510 234.580 49.832 115.544 1.00737.35 N ATOM 9770 C4 G 0 510 235.376 49.139 116.385 1.00737.35 C ATOM 9771 P A 0 511 236.037 43.726 113.421 1.00737.35 P ATOM 9772 O1P A 0 511 235.767 42.442 112.727 1.00737.35 O ATOM 9773 O2P A 0 511 237.383 43.980 113.994 1.00737.35 O ATOM 9774 O5* A 0 511 235.675 44.910 112.417 1.00737.35 O ATOM 9775 C5* A 0 511 236.677 45.523 111.605 1.00737.35 C ATOM 9776 C4* A 0 511 236.073 46.031 110.315 1.00737.35 C ATOM 9777 O4* A 0 511 235.600 44.907 109.530 1.00737.35 O ATOM 9778 C3* A 0 511 234.854 46.929 110.459 1.00737.35 C ATOM 9779 O3* A 0 511 235.233 48.281 110.698 1.00737.35 O ATOM 9780 C2* A 0 511 234.172 46.762 109.106 1.00737.35 C ATOM 9781 O2* A 0 511 234.742 47.564 108.092 1.00737.35 O ATOM 9782 C1* A 0 511 234.439 45.285 108.810 1.00737.35 C ATOM 9783 N9 A 0 511 233.341 44.398 109.207 1.00737.35 N ATOM 9784 C8 A 0 511 233.062 43.902 110.457 1.00737.35 C ATOM 9785 N7 A 0 511 232.004 43.128 110.494 1.00737.35 N ATOM 9786 C5 A 0 511 231.553 43.117 109.182 1.00737.35 C ATOM 9787 C6 A 0 511 230.465 42.478 108.563 1.00737.35 C ATOM 9788 N6 A 0 511 229.595 41.697 109.211 1.00737.35 N ATOM 9789 N1 A 0 511 230.295 42.672 107.236 1.00737.35 N ATOM 9790 C2 A 0 511 231.164 43.453 106.587 1.00737.35 C ATOM 9791 N3 A 0 511 232.226 44.107 107.058 1.00737.35 N ATOM 9792 C4 A 0 511 232.367 43.894 108.378 1.00737.35 C ATOM 9793 P A 0 512 234.299 49.223 111.604 1.00737.35 P ATOM 9794 O1P A 0 512 234.907 50.577 111.607 1.00737.35 O ATOM 9795 O2P A 0 512 234.046 48.531 112.895 1.00737.35 O ATOM 9796 O5* A 0 512 232.924 49.294 110.801 1.00737.35 O ATOM 9797 C5* A 0 512 232.854 49.919 109.519 1.00737.35 C ATOM 9798 C4* A 0 512 231.486 49.713 108.910 1.00737.35 C ATOM 9799 O4* A 0 512 231.268 48.296 108.684 1.00737.35 O ATOM 9800 C3* A 0 512 230.309 50.143 109.772 1.00737.35 C ATOM 9801 O3* A 0 512 230.053 51.536 109.619 1.00737.35 O ATOM 9802 C2* A 0 512 229.173 49.293 109.215 1.00737.35 C ATOM 9803 O2* A 0 512 228.605 49.826 108.035 1.00737.35 O ATOM 9804 C1* A 0 512 229.900 47.984 108.891 1.00737.35 C ATOM 9805 N9 A 0 512 229.812 46.986 109.959 1.00737.35 N ATOM 9806 C8 A 0 512 230.533 46.924 111.127 1.00737.35 C ATOM 9807 N7 A 0 512 230.226 45.903 111.890 1.00737.35 N ATOM 9808 C5 A 0 512 229.235 45.245 111.176 1.00737.35 C ATOM 9809 C6 A 0 512 228.491 44.081 111.443 1.00737.35 C ATOM 9810 N6 A 0 512 228.638 43.346 112.548 1.00737.35 N ATOM 9811 N1 A 0 512 227.580 43.691 110.525 1.00737.35 N ATOM 9812 C2 A 0 512 227.432 44.428 109.417 1.00737.35 C ATOM 9813 N3 A 0 512 228.071 45.538 109.052 1.00737.35 N ATOM 9814 C4 A 0 512 228.970 45.898 109.986 1.00737.35 C ATOM 9815 P A 0 513 229.794 52.448 110.918 1.00737.35 P ATOM 9816 O1P A 0 513 229.489 53.821 110.439 1.00737.35 O ATOM 9817 O2P A 0 513 230.914 52.238 111.871 1.00737.35 O ATOM 9818 O5* A 0 513 228.471 51.841 111.564 1.00737.35 O ATOM 9819 C5* A 0 513 227.257 51.764 110.820 1.00737.35 C ATOM 9820 C4* A 0 513 226.070 51.680 111.753 1.00737.35 C ATOM 9821 O4* A 0 513 226.158 50.468 112.537 1.00737.35 O ATOM 9822 C3* A 0 513 225.959 52.792 112.782 1.00737.35 C ATOM 9823 O3* A 0 513 225.285 53.906 112.207 1.00737.35 O ATOM 9824 C2* A 0 513 225.116 52.148 113.880 1.00737.35 C ATOM 9825 O2* A 0 513 223.727 52.236 113.639 1.00737.35 O ATOM 9826 C1* A 0 513 225.561 50.682 113.803 1.00737.35 C ATOM 9827 N9 A 0 513 226.509 50.272 114.839 1.00737.35 N ATOM 9828 C8 A 0 513 227.736 50.810 115.142 1.00737.35 C ATOM 9829 N7 A 0 513 228.346 50.213 116.136 1.00737.35 N ATOM 9830 C5 A 0 513 227.462 49.210 116.515 1.00737.35 C ATOM 9831 C6 A 0 513 227.522 48.224 117.514 1.00737.35 C ATOM 9832 N6 A 0 513 228.551 48.080 118.352 1.00737.35 N ATOM 9833 N1 A 0 513 226.476 47.379 117.625 1.00737.35 N ATOM 9834 C2 A 0 513 225.443 47.523 116.787 1.00737.35 C ATOM 9835 N3 A 0 513 225.269 48.410 115.809 1.00737.35 N ATOM 9836 C4 A 0 513 226.327 49.235 115.725 1.00737.35 C ATOM 9837 P G 0 514 225.998 55.345 112.162 1.00737.35 P ATOM 9838 O1P G 0 514 227.425 55.140 111.802 1.00737.35 O ATOM 9839 O2P G 0 514 225.653 56.078 113.406 1.00737.35 O ATOM 9840 O5* G 0 514 225.284 56.076 110.936 1.00737.35 O ATOM 9841 C5* G 0 514 223.869 56.013 110.776 1.00737.35 C ATOM 9842 C4* G 0 514 223.510 55.795 109.322 1.00737.35 C ATOM 9843 O4* G 0 514 223.949 56.941 108.543 1.00737.35 O ATOM 9844 C3* G 0 514 224.161 54.601 108.639 1.00737.35 C ATOM 9845 O3* G 0 514 223.453 53.390 108.891 1.00737.35 O ATOM 9846 C2* G 0 514 224.110 55.006 107.171 1.00737.35 C ATOM 9847 O2* G 0 514 222.850 54.769 106.572 1.00737.35 O ATOM 9848 C1* G 0 514 224.375 56.511 107.258 1.00737.35 C ATOM 9849 N9 G 0 514 225.764 56.933 107.070 1.00737.35 N ATOM 9850 C8 G 0 514 226.259 58.198 107.276 1.00737.35 C ATOM 9851 N7 G 0 514 227.534 58.301 107.020 1.00737.35 N ATOM 9852 C5 G 0 514 227.914 57.026 106.623 1.00737.35 C ATOM 9853 C6 G 0 514 229.181 56.527 106.221 1.00737.35 C ATOM 9854 O6 G 0 514 230.256 57.133 106.133 1.00737.35 O ATOM 9855 N1 G 0 514 229.120 55.174 105.905 1.00737.35 N ATOM 9856 C2 G 0 514 227.991 54.399 105.963 1.00737.35 C ATOM 9857 N2 G 0 514 228.137 53.112 105.618 1.00737.35 N ATOM 9858 N3 G 0 514 226.803 54.850 106.334 1.00737.35 N ATOM 9859 C4 G 0 514 226.836 56.164 106.649 1.00737.35 C ATOM 9860 P A 0 515 223.989 52.004 108.267 1.00737.35 P ATOM 9861 O1P A 0 515 225.473 52.073 108.229 1.00737.35 O ATOM 9862 O2P A 0 515 223.236 51.752 107.013 1.00737.35 O ATOM 9863 O5* A 0 515 223.565 50.890 109.328 1.00737.35 O ATOM 9864 C5* A 0 515 224.436 49.798 109.619 1.00737.35 C ATOM 9865 C4* A 0 515 223.641 48.553 109.953 1.00737.35 C ATOM 9866 O4* A 0 515 224.569 47.445 110.097 1.00737.35 O ATOM 9867 C3* A 0 515 222.872 48.586 111.265 1.00737.35 C ATOM 9868 O3* A 0 515 221.569 49.138 111.072 1.00737.35 O ATOM 9869 C2* A 0 515 222.780 47.107 111.630 1.00737.35 C ATOM 9870 O2* A 0 515 221.732 46.437 110.960 1.00737.35 O ATOM 9871 C1* A 0 515 224.127 46.579 111.128 1.00737.35 C ATOM 9872 N9 A 0 515 225.165 46.515 112.159 1.00737.35 N ATOM 9873 C8 A 0 515 226.128 47.452 112.450 1.00737.35 C ATOM 9874 N7 A 0 515 226.924 47.104 113.434 1.00737.35 N ATOM 9875 C5 A 0 515 226.455 45.855 113.816 1.00737.35 C ATOM 9876 C6 A 0 515 226.873 44.952 114.807 1.00737.35 C ATOM 9877 N6 A 0 515 227.901 45.177 115.630 1.00737.35 N ATOM 9878 N1 A 0 515 226.191 43.792 114.929 1.00737.35 N ATOM 9879 C2 A 0 515 225.163 43.565 114.104 1.00737.35 C ATOM 9880 N3 A 0 515 224.672 44.335 113.133 1.00737.35 N ATOM 9881 C4 A 0 515 225.373 45.479 113.039 1.00737.35 C ATOM 9882 P G 0 516 220.970 50.184 112.140 1.00737.35 P ATOM 9883 O1P G 0 516 219.511 50.282 111.878 1.00737.35 O ATOM 9884 O2P G 0 516 221.803 51.410 112.102 1.00737.35 O ATOM 9885 O5* G 0 516 221.168 49.481 113.558 1.00737.35 O ATOM 9886 C5* G 0 516 220.612 48.196 113.828 1.00737.35 C ATOM 9887 C4* G 0 516 220.658 47.896 115.312 1.00737.35 C ATOM 9888 O4* G 0 516 222.028 48.019 115.779 1.00737.35 O ATOM 9889 C3* G 0 516 219.873 48.839 116.213 1.00737.35 C ATOM 9890 O3* G 0 516 218.510 48.438 116.298 1.00737.35 O ATOM 9891 C2* G 0 516 220.577 48.661 117.556 1.00737.35 C ATOM 9892 O2* G 0 516 220.146 47.511 118.260 1.00737.35 O ATOM 9893 C1* G 0 516 222.033 48.482 117.121 1.00737.35 C ATOM 9894 N9 G 0 516 222.817 49.711 117.187 1.00737.35 N ATOM 9895 C8 G 0 516 222.797 50.763 116.300 1.00737.35 C ATOM 9896 N7 G 0 516 223.613 51.727 116.634 1.00737.35 N ATOM 9897 C5 G 0 516 224.206 51.288 117.809 1.00737.35 C ATOM 9898 C6 G 0 516 225.181 51.910 118.636 1.00737.35 C ATOM 9899 O6 G 0 516 225.728 53.007 118.488 1.00737.35 O ATOM 9900 N1 G 0 516 225.503 51.114 119.730 1.00737.35 N ATOM 9901 C2 G 0 516 224.962 49.881 119.996 1.00737.35 C ATOM 9902 N2 G 0 516 225.407 49.269 121.104 1.00737.35 N ATOM 9903 N3 G 0 516 224.056 49.291 119.236 1.00737.35 N ATOM 9904 C4 G 0 516 223.726 50.047 118.166 1.00737.35 C ATOM 9905 P A 0 517 217.374 49.522 116.655 1.00737.35 P ATOM 9906 O1P A 0 517 216.956 50.163 115.383 1.00737.35 O ATOM 9907 O2P A 0 517 217.861 50.367 117.776 1.00737.35 O ATOM 9908 O5* A 0 517 216.160 48.640 117.191 1.00737.35 O ATOM 9909 C5* A 0 517 215.668 47.536 116.431 1.00737.35 C ATOM 9910 C4* A 0 517 215.413 46.349 117.333 1.00737.35 C ATOM 9911 O4* A 0 517 216.643 46.014 118.029 1.00737.35 O ATOM 9912 C3* A 0 517 214.396 46.554 118.443 1.00737.35 C ATOM 9913 O3* A 0 517 213.078 46.309 117.964 1.00737.35 O ATOM 9914 C2* A 0 517 214.815 45.503 119.463 1.00737.35 C ATOM 9915 O2* A 0 517 214.344 44.205 119.154 1.00737.35 O ATOM 9916 C1* A 0 517 216.339 45.541 119.332 1.00737.35 C ATOM 9917 N9 A 0 517 216.982 46.424 120.310 1.00737.35 N ATOM 9918 C8 A 0 517 217.286 47.757 120.181 1.00737.35 C ATOM 9919 N7 A 0 517 217.857 48.275 121.242 1.00737.35 N ATOM 9920 C5 A 0 517 217.938 47.211 122.129 1.00737.35 C ATOM 9921 C6 A 0 517 218.444 47.105 123.436 1.00737.35 C ATOM 9922 N6 A 0 517 218.984 48.125 124.107 1.00737.35 N ATOM 9923 N1 A 0 517 218.375 45.900 124.041 1.00737.35 N ATOM 9924 C2 A 0 517 217.830 44.878 123.371 1.00737.35 C ATOM 9925 N3 A 0 517 217.321 44.852 122.141 1.00737.35 N ATOM 9926 C4 A 0 517 217.406 46.065 121.568 1.00737.35 C ATOM 9927 P A 0 518 211.815 46.960 118.718 1.00737.35 P ATOM 9928 O1P A 0 518 211.748 48.390 118.323 1.00737.35 O ATOM 9929 O2P A 0 518 211.889 46.602 120.158 1.00737.35 O ATOM 9930 O5* A 0 518 210.567 46.204 118.080 1.00737.35 O ATOM 9931 C5* A 0 518 210.272 46.320 116.690 1.00737.35 C ATOM 9932 C4* A 0 518 210.700 45.071 115.958 1.00737.35 C ATOM 9933 O4* A 0 518 210.016 43.919 116.515 1.00737.35 O ATOM 9934 C3* A 0 518 210.353 45.030 114.479 1.00737.35 C ATOM 9935 O3* A 0 518 211.346 45.706 113.716 1.00737.35 O ATOM 9936 C2* A 0 518 210.348 43.532 114.191 1.00737.35 C ATOM 9937 O2* A 0 518 211.640 43.003 113.975 1.00737.35 O ATOM 9938 C1* A 0 518 209.768 42.970 115.491 1.00737.35 C ATOM 9939 N9 A 0 518 208.329 42.714 115.433 1.00737.35 N ATOM 9940 C8 A 0 518 207.298 43.603 115.624 1.00737.35 C ATOM 9941 N7 A 0 518 206.108 43.065 115.502 1.00737.35 N ATOM 9942 C5 A 0 518 206.370 41.734 115.213 1.00737.35 C ATOM 9943 C6 A 0 518 205.528 40.636 114.970 1.00737.35 C ATOM 9944 N6 A 0 518 204.195 40.708 114.981 1.00737.35 N ATOM 9945 N1 A 0 518 206.110 39.444 114.709 1.00737.35 N ATOM 9946 C2 A 0 518 207.447 39.373 114.697 1.00737.35 C ATOM 9947 N3 A 0 518 208.344 40.332 114.911 1.00737.35 N ATOM 9948 C4 A 0 518 207.734 41.503 115.165 1.00737.35 C ATOM 9949 P C 0 519 210.904 46.775 112.599 1.00737.35 P ATOM 9950 O1P C 0 519 210.256 47.912 113.301 1.00737.35 O ATOM 9951 O2P C 0 519 210.166 46.058 111.528 1.00737.35 O ATOM 9952 O5* C 0 519 212.289 47.291 112.001 1.00737.35 O ATOM 9953 C5* C 0 519 213.186 46.392 111.355 1.00737.35 C ATOM 9954 C4* C 0 519 214.615 46.816 111.595 1.00737.35 C ATOM 9955 O4* C 0 519 214.873 46.857 113.023 1.00737.35 O ATOM 9956 C3* C 0 519 215.663 45.859 111.054 1.00737.35 C ATOM 9957 O3* C 0 519 215.929 46.115 109.679 1.00737.35 O ATOM 9958 C2* C 0 519 216.870 46.173 111.929 1.00737.35 C ATOM 9959 O2* C 0 519 217.572 47.330 111.517 1.00737.35 O ATOM 9960 C1* C 0 519 216.202 46.426 113.282 1.00737.35 C ATOM 9961 N1 C 0 519 216.154 45.227 114.146 1.00737.35 N ATOM 9962 C2 C 0 519 217.292 44.891 114.903 1.00737.35 C ATOM 9963 O2 C 0 519 218.305 45.609 114.828 1.00737.35 O ATOM 9964 N3 C 0 519 217.259 43.796 115.695 1.00737.35 N ATOM 9965 C4 C 0 519 216.153 43.048 115.753 1.00737.35 C ATOM 9966 N4 C 0 519 216.164 41.974 116.548 1.00737.35 N ATOM 9967 C5 C 0 519 214.987 43.365 114.999 1.00737.35 C ATOM 9968 C6 C 0 519 215.031 44.453 114.217 1.00737.35 C ATOM 9969 P C 0 520 215.805 44.925 108.609 1.00737.35 P ATOM 9970 O1P C 0 520 214.567 45.168 107.827 1.00737.35 O ATOM 9971 O2P C 0 520 215.990 43.620 109.300 1.00737.35 O ATOM 9972 O5* C 0 520 217.047 45.154 107.637 1.00737.35 O ATOM 9973 C5* C 0 520 218.384 45.030 108.115 1.00737.35 C ATOM 9974 C4* C 0 520 219.310 44.662 106.980 1.00737.35 C ATOM 9975 O4* C 0 520 218.893 43.383 106.433 1.00737.35 O ATOM 9976 C3* C 0 520 219.287 45.614 105.792 1.00737.35 C ATOM 9977 O3* C 0 520 220.189 46.699 105.986 1.00737.35 O ATOM 9978 C2* C 0 520 219.723 44.708 104.648 1.00737.35 C ATOM 9979 O2* C 0 520 221.121 44.503 104.608 1.00737.35 O ATOM 9980 C1* C 0 520 219.026 43.399 105.020 1.00737.35 C ATOM 9981 N1 C 0 520 217.685 43.251 104.416 1.00737.35 N ATOM 9982 C2 C 0 520 217.587 42.916 103.054 1.00737.35 C ATOM 9983 O2 C 0 520 218.626 42.755 102.392 1.00737.35 O ATOM 9984 N3 C 0 520 216.360 42.779 102.498 1.00737.35 N ATOM 9985 C4 C 0 520 215.264 42.959 103.237 1.00737.35 C ATOM 9986 N4 C 0 520 214.078 42.811 102.643 1.00737.35 N ATOM 9987 C5 C 0 520 215.334 43.301 104.619 1.00737.35 C ATOM 9988 C6 C 0 520 216.550 43.433 105.161 1.00737.35 C ATOM 9989 P U 0 521 219.782 48.173 105.490 1.00737.35 P ATOM 9990 O1P U 0 521 220.944 49.062 105.744 1.00737.35 O ATOM 9991 O2P U 0 521 218.459 48.512 106.075 1.00737.35 O ATOM 9992 O5* U 0 521 219.605 48.021 103.913 1.00737.35 O ATOM 9993 C5* U 0 521 220.720 47.729 103.074 1.00737.35 C ATOM 9994 C4* U 0 521 220.252 47.396 101.675 1.00737.35 C ATOM 9995 O4* U 0 521 219.409 46.217 101.720 1.00737.35 O ATOM 9996 C3* U 0 521 219.394 48.451 100.994 1.00737.35 C ATOM 9997 O3* U 0 521 220.201 49.434 100.346 1.00737.35 O ATOM 9998 C2* U 0 521 218.617 47.625 99.975 1.00737.35 C ATOM 9999 O2* U 0 521 219.354 47.349 98.802 1.00737.35 O ATOM 10000 C1* U 0 521 218.378 46.327 100.752 1.00737.35 C ATOM 10001 N1 U 0 521 217.074 46.284 101.437 1.00737.35 N ATOM 10002 C2 U 0 521 215.969 45.877 100.702 1.00737.35 C ATOM 10003 O2 U 0 521 216.029 45.555 99.525 1.00737.35 O ATOM 10004 N3 U 0 521 214.785 45.863 101.397 1.00737.35 N ATOM 10005 C4 U 0 521 214.592 46.203 102.722 1.00737.35 C ATOM 10006 O4 U 0 521 213.462 46.137 103.205 1.00737.35 O ATOM 10007 C5 U 0 521 215.779 46.607 103.410 1.00737.35 C ATOM 10008 C6 U 0 521 216.948 46.635 102.764 1.00737.35 C ATOM 10009 P G 0 522 219.944 51.000 100.621 1.00737.35 P ATOM 10010 O1P G 0 522 220.592 51.752 99.516 1.00737.35 O ATOM 10011 O2P G 0 522 220.326 51.290 102.026 1.00737.35 O ATOM 10012 O5* G 0 522 218.367 51.185 100.486 1.00737.35 O ATOM 10013 C5* G 0 522 217.657 50.682 99.355 1.00737.35 C ATOM 10014 C4* G 0 522 216.228 50.367 99.735 1.00737.35 C ATOM 10015 O4* G 0 522 216.239 49.468 100.877 1.00737.35 O ATOM 10016 C3* G 0 522 215.392 51.553 100.196 1.00737.35 C ATOM 10017 O3* G 0 522 214.794 52.208 99.082 1.00737.35 O ATOM 10018 C2* G 0 522 214.347 50.888 101.084 1.00737.35 C ATOM 10019 O2* G 0 522 213.295 50.294 100.350 1.00737.35 O ATOM 10020 C1* G 0 522 215.180 49.797 101.763 1.00737.35 C ATOM 10021 N9 G 0 522 215.758 50.219 103.035 1.00737.35 N ATOM 10022 C8 G 0 522 216.862 51.018 103.224 1.00737.35 C ATOM 10023 N7 G 0 522 217.135 51.227 104.482 1.00737.35 N ATOM 10024 C5 G 0 522 216.156 50.523 105.169 1.00737.35 C ATOM 10025 C6 G 0 522 215.940 50.375 106.563 1.00737.35 C ATOM 10026 O6 G 0 522 216.588 50.856 107.501 1.00737.35 O ATOM 10027 N1 G 0 522 214.835 49.574 106.827 1.00737.35 N ATOM 10028 C2 G 0 522 214.038 48.987 105.874 1.00737.35 C ATOM 10029 N2 G 0 522 213.018 48.246 106.332 1.00737.35 N ATOM 10030 N3 G 0 522 214.229 49.118 104.571 1.00737.35 N ATOM 10031 C4 G 0 522 215.298 49.894 104.293 1.00737.35 C ATOM 10032 P A 0 523 214.294 53.730 99.223 1.00737.35 P ATOM 10033 O1P A 0 523 215.501 54.586 99.371 1.00737.35 O ATOM 10034 O2P A 0 523 213.232 53.778 100.260 1.00737.35 O ATOM 10035 O5* A 0 523 213.624 54.047 97.813 1.00737.35 O ATOM 10036 C5* A 0 523 214.416 54.176 96.635 1.00737.35 C ATOM 10037 C4* A 0 523 213.579 53.915 95.403 1.00737.35 C ATOM 10038 O4* A 0 523 213.107 52.542 95.424 1.00737.35 O ATOM 10039 C3* A 0 523 212.310 54.743 95.272 1.00737.35 C ATOM 10040 O3* A 0 523 212.578 56.017 94.694 1.00737.35 O ATOM 10041 C2* A 0 523 211.455 53.874 94.355 1.00737.35 C ATOM 10042 O2* A 0 523 211.789 54.007 92.987 1.00737.35 O ATOM 10043 C1* A 0 523 211.815 52.470 94.844 1.00737.35 C ATOM 10044 N9 A 0 523 210.881 51.956 95.847 1.00737.35 N ATOM 10045 C8 A 0 523 210.962 52.056 97.215 1.00737.35 C ATOM 10046 N7 A 0 523 209.958 51.501 97.846 1.00737.35 N ATOM 10047 C5 A 0 523 209.162 50.996 96.830 1.00737.35 C ATOM 10048 C6 A 0 523 207.946 50.292 96.842 1.00737.35 C ATOM 10049 N6 A 0 523 207.294 49.963 97.959 1.00737.35 N ATOM 10050 N1 A 0 523 207.414 49.935 95.654 1.00737.35 N ATOM 10051 C2 A 0 523 208.068 50.267 94.534 1.00737.35 C ATOM 10052 N3 A 0 523 209.215 50.927 94.393 1.00737.35 N ATOM 10053 C4 A 0 523 209.717 51.267 95.593 1.00737.35 C ATOM 10054 P A 0 524 211.634 57.267 95.050 1.00737.35 P ATOM 10055 O1P A 0 524 212.110 58.424 94.245 1.00737.35 O ATOM 10056 O2P A 0 524 211.551 57.390 96.528 1.00737.35 O ATOM 10057 O5* A 0 524 210.200 56.837 94.502 1.00737.35 O ATOM 10058 C5* A 0 524 209.979 56.630 93.109 1.00737.35 C ATOM 10059 C4* A 0 524 208.598 56.062 92.873 1.00737.35 C ATOM 10060 O4* A 0 524 208.492 54.763 93.514 1.00737.35 O ATOM 10061 C3* A 0 524 207.442 56.858 93.456 1.00737.35 C ATOM 10062 O3* A 0 524 207.062 57.922 92.589 1.00737.35 O ATOM 10063 C2* A 0 524 206.349 55.800 93.570 1.00737.35 C ATOM 10064 O2* A 0 524 205.680 55.559 92.349 1.00737.35 O ATOM 10065 C1* A 0 524 207.161 54.566 93.970 1.00737.35 C ATOM 10066 N9 A 0 524 207.194 54.335 95.418 1.00737.35 N ATOM 10067 C8 A 0 524 208.050 54.880 96.346 1.00737.35 C ATOM 10068 N7 A 0 524 207.818 54.482 97.574 1.00737.35 N ATOM 10069 C5 A 0 524 206.740 53.617 97.445 1.00737.35 C ATOM 10070 C6 A 0 524 206.015 52.862 98.386 1.00737.35 C ATOM 10071 N6 A 0 524 206.278 52.857 99.695 1.00737.35 N ATOM 10072 N1 A 0 524 204.997 52.100 97.931 1.00737.35 N ATOM 10073 C2 A 0 524 204.734 52.105 96.619 1.00737.35 C ATOM 10074 N3 A 0 524 205.339 52.769 95.638 1.00737.35 N ATOM 10075 C4 A 0 524 206.347 53.516 96.124 1.00737.35 C ATOM 10076 P A 0 525 206.463 59.279 93.210 1.00737.35 P ATOM 10077 O1P A 0 525 206.123 60.172 92.073 1.00737.35 O ATOM 10078 O2P A 0 525 207.386 59.758 94.270 1.00737.35 O ATOM 10079 O5* A 0 525 205.107 58.815 93.909 1.00737.35 O ATOM 10080 C5* A 0 525 203.957 58.484 93.133 1.00737.35 C ATOM 10081 C4* A 0 525 202.795 58.136 94.035 1.00737.35 C ATOM 10082 O4* A 0 525 203.085 56.905 94.749 1.00737.35 O ATOM 10083 C3* A 0 525 202.492 59.142 95.135 1.00737.35 C ATOM 10084 O3* A 0 525 201.683 60.208 94.649 1.00737.35 O ATOM 10085 C2* A 0 525 201.757 58.286 96.159 1.00737.35 C ATOM 10086 O2* A 0 525 200.394 58.088 95.849 1.00737.35 O ATOM 10087 C1* A 0 525 202.513 56.959 96.047 1.00737.35 C ATOM 10088 N9 A 0 525 203.588 56.815 97.034 1.00737.35 N ATOM 10089 C8 A 0 525 204.899 57.206 96.924 1.00737.35 C ATOM 10090 N7 A 0 525 205.622 56.943 97.985 1.00737.35 N ATOM 10091 C5 A 0 525 204.726 56.334 98.854 1.00737.35 C ATOM 10092 C6 A 0 525 204.872 55.819 100.154 1.00737.35 C ATOM 10093 N6 A 0 525 206.021 55.834 100.832 1.00737.35 N ATOM 10094 N1 A 0 525 203.782 55.278 100.741 1.00737.35 N ATOM 10095 C2 A 0 525 202.629 55.263 100.060 1.00737.35 C ATOM 10096 N3 A 0 525 202.367 55.718 98.837 1.00737.35 N ATOM 10097 C4 A 0 525 203.469 56.247 98.281 1.00737.35 C ATOM 10098 P C 0 526 202.057 61.724 95.024 1.00737.35 P ATOM 10099 O1P C 0 526 200.970 62.589 94.498 1.00737.35 O ATOM 10100 O2P C 0 526 203.459 61.977 94.607 1.00737.35 O ATOM 10101 O5* C 0 526 201.998 61.755 96.617 1.00737.35 O ATOM 10102 C5* C 0 526 200.751 61.672 97.304 1.00737.35 C ATOM 10103 C4* C 0 526 200.970 61.728 98.800 1.00737.35 C ATOM 10104 O4* C 0 526 201.693 60.547 99.232 1.00737.35 O ATOM 10105 C3* C 0 526 201.814 62.886 99.308 1.00737.35 C ATOM 10106 O3* C 0 526 201.035 64.070 99.447 1.00737.35 O ATOM 10107 C2* C 0 526 202.305 62.358 100.653 1.00737.35 C ATOM 10108 O2* C 0 526 201.353 62.500 101.689 1.00737.35 O ATOM 10109 C1* C 0 526 202.517 60.874 100.342 1.00737.35 C ATOM 10110 N1 C 0 526 203.916 60.532 100.017 1.00737.35 N ATOM 10111 C2 C 0 526 204.786 60.169 101.062 1.00737.35 C ATOM 10112 O2 C 0 526 204.354 60.140 102.228 1.00737.35 O ATOM 10113 N3 C 0 526 206.070 59.860 100.774 1.00737.35 N ATOM 10114 C4 C 0 526 206.502 59.900 99.511 1.00737.35 C ATOM 10115 N4 C 0 526 207.779 59.589 99.277 1.00737.35 N ATOM 10116 C5 C 0 526 205.644 60.266 98.432 1.00737.35 C ATOM 10117 C6 C 0 526 204.373 60.569 98.727 1.00737.35 C ATOM 10118 P C 0 527 201.757 65.507 99.410 1.00737.35 P ATOM 10119 O1P C 0 527 200.686 66.536 99.388 1.00737.35 O ATOM 10120 O2P C 0 527 202.784 65.496 98.336 1.00737.35 O ATOM 10121 O5* C 0 527 202.507 65.595 100.814 1.00737.35 O ATOM 10122 C5* C 0 527 201.769 65.682 102.033 1.00737.35 C ATOM 10123 C4* C 0 527 202.705 65.651 103.220 1.00737.35 C ATOM 10124 O4* C 0 527 203.377 64.366 103.273 1.00737.35 O ATOM 10125 C3* C 0 527 203.837 66.665 103.200 1.00737.35 C ATOM 10126 O3* C 0 527 203.399 67.931 103.686 1.00737.35 O ATOM 10127 C2* C 0 527 204.862 66.019 104.125 1.00737.35 C ATOM 10128 O2* C 0 527 204.579 66.219 105.497 1.00737.35 O ATOM 10129 C1* C 0 527 204.694 64.536 103.772 1.00737.35 C ATOM 10130 N1 C 0 527 205.655 64.060 102.756 1.00737.35 N ATOM 10131 C2 C 0 527 206.920 63.608 103.175 1.00737.35 C ATOM 10132 O2 C 0 527 207.199 63.623 104.386 1.00737.35 O ATOM 10133 N3 C 0 527 207.804 63.169 102.250 1.00737.35 N ATOM 10134 C4 C 0 527 207.470 63.167 100.956 1.00737.35 C ATOM 10135 N4 C 0 527 208.376 62.723 100.080 1.00737.35 N ATOM 10136 C5 C 0 527 206.198 63.619 100.502 1.00737.35 C ATOM 10137 C6 C 0 527 205.330 64.052 101.426 1.00737.35 C ATOM 10138 P G 0 528 204.197 69.264 103.275 1.00737.35 P ATOM 10139 O1P G 0 528 203.388 70.421 103.733 1.00737.35 O ATOM 10140 O2P G 0 528 204.589 69.166 101.844 1.00737.35 O ATOM 10141 O5* G 0 528 205.524 69.204 104.157 1.00737.35 O ATOM 10142 C5* G 0 528 205.455 69.272 105.581 1.00737.35 C ATOM 10143 C4* G 0 528 206.844 69.285 106.176 1.00737.35 C ATOM 10144 O4* G 0 528 207.511 68.029 105.885 1.00737.35 O ATOM 10145 C3* G 0 528 207.794 70.341 105.635 1.00737.35 C ATOM 10146 O3* G 0 528 207.589 71.595 106.277 1.00737.35 O ATOM 10147 C2* G 0 528 209.159 69.747 105.965 1.00737.35 C ATOM 10148 O2* G 0 528 209.550 69.963 107.306 1.00737.35 O ATOM 10149 C1* G 0 528 208.906 68.254 105.734 1.00737.35 C ATOM 10150 N9 G 0 528 209.315 67.788 104.412 1.00737.35 N ATOM 10151 C8 G 0 528 208.552 67.748 103.267 1.00737.35 C ATOM 10152 N7 G 0 528 209.201 67.280 102.235 1.00737.35 N ATOM 10153 C5 G 0 528 210.469 66.994 102.725 1.00737.35 C ATOM 10154 C6 G 0 528 211.609 66.461 102.070 1.00737.35 C ATOM 10155 O6 G 0 528 211.734 66.127 100.886 1.00737.35 O ATOM 10156 N1 G 0 528 212.684 66.334 102.942 1.00737.35 N ATOM 10157 C2 G 0 528 212.669 66.672 104.273 1.00737.35 C ATOM 10158 N2 G 0 528 213.811 66.473 104.950 1.00737.35 N ATOM 10159 N3 G 0 528 211.612 67.167 104.896 1.00737.35 N ATOM 10160 C4 G 0 528 210.555 67.301 104.067 1.00737.35 C ATOM 10161 P U 0 529 208.042 72.954 105.547 1.00737.35 P ATOM 10162 O1P U 0 529 207.554 74.085 106.377 1.00737.35 O ATOM 10163 O2P U 0 529 207.655 72.874 104.115 1.00737.35 O ATOM 10164 O5* U 0 529 209.633 72.920 105.635 1.00737.35 O ATOM 10165 C5* U 0 529 210.300 72.991 106.893 1.00737.35 C ATOM 10166 C4* U 0 529 211.782 72.757 106.722 1.00737.35 C ATOM 10167 O4* U 0 529 212.007 71.414 106.218 1.00737.35 O ATOM 10168 C3* U 0 529 212.482 73.653 105.713 1.00737.35 C ATOM 10169 O3* U 0 529 212.834 74.903 106.297 1.00737.35 O ATOM 10170 C2* U 0 529 213.709 72.827 105.344 1.00737.35 C ATOM 10171 O2* U 0 529 214.756 72.932 106.288 1.00737.35 O ATOM 10172 C1* U 0 529 213.137 71.407 105.358 1.00737.35 C ATOM 10173 N1 U 0 529 212.718 70.925 104.029 1.00737.35 N ATOM 10174 C2 U 0 529 213.670 70.290 103.242 1.00737.35 C ATOM 10175 O2 U 0 529 214.824 70.115 103.601 1.00737.35 O ATOM 10176 N3 U 0 529 213.218 69.869 102.017 1.00737.35 N ATOM 10177 C4 U 0 529 211.945 70.010 101.503 1.00737.35 C ATOM 10178 O4 U 0 529 211.696 69.574 100.377 1.00737.35 O ATOM 10179 C5 U 0 529 211.022 70.672 102.371 1.00737.35 C ATOM 10180 C6 U 0 529 211.426 71.095 103.574 1.00737.35 C ATOM 10181 P G 0 530 213.042 76.195 105.359 1.00737.35 P ATOM 10182 O1P G 0 530 213.217 77.365 106.257 1.00737.35 O ATOM 10183 O2P G 0 530 211.967 76.213 104.332 1.00737.35 O ATOM 10184 O5* G 0 530 214.427 75.913 104.624 1.00737.35 O ATOM 10185 C5* G 0 530 215.656 75.910 105.352 1.00737.35 C ATOM 10186 C4* G 0 530 216.801 75.507 104.452 1.00737.35 C ATOM 10187 O4* G 0 530 216.614 74.134 104.015 1.00737.35 O ATOM 10188 C3* G 0 530 216.938 76.298 103.160 1.00737.35 C ATOM 10189 O3* G 0 530 217.653 77.510 103.373 1.00737.35 O ATOM 10190 C2* G 0 530 217.703 75.327 102.268 1.00737.35 C ATOM 10191 O2* G 0 530 219.097 75.326 102.515 1.00737.35 O ATOM 10192 C1* G 0 530 217.101 73.986 102.690 1.00737.35 C ATOM 10193 N9 G 0 530 216.001 73.545 101.836 1.00737.35 N ATOM 10194 C8 G 0 530 214.653 73.643 102.095 1.00737.35 C ATOM 10195 N7 G 0 530 213.910 73.157 101.138 1.00737.35 N ATOM 10196 C5 G 0 530 214.818 72.712 100.189 1.00737.35 C ATOM 10197 C6 G 0 530 214.602 72.090 98.932 1.00737.35 C ATOM 10198 O6 G 0 530 213.528 71.799 98.389 1.00737.35 O ATOM 10199 N1 G 0 530 215.802 71.805 98.290 1.00737.35 N ATOM 10200 C2 G 0 530 217.052 72.079 98.790 1.00737.35 C ATOM 10201 N2 G 0 530 218.090 71.727 98.018 1.00737.35 N ATOM 10202 N3 G 0 530 217.267 72.656 99.963 1.00737.35 N ATOM 10203 C4 G 0 530 216.113 72.944 100.602 1.00737.35 C ATOM 10204 P G 0 531 217.433 78.752 102.376 1.00737.35 P ATOM 10205 O1P G 0 531 218.219 79.892 102.914 1.00737.35 O ATOM 10206 O2P G 0 531 215.975 78.916 102.140 1.00737.35 O ATOM 10207 O5* G 0 531 218.109 78.275 101.014 1.00737.35 O ATOM 10208 C5* G 0 531 219.524 78.133 100.908 1.00737.35 C ATOM 10209 C4* G 0 531 219.903 77.635 99.533 1.00737.35 C ATOM 10210 O4* G 0 531 219.390 76.290 99.344 1.00737.35 O ATOM 10211 C3* G 0 531 219.332 78.418 98.361 1.00737.35 C ATOM 10212 O3* G 0 531 220.126 79.563 98.074 1.00737.35 O ATOM 10213 C2* G 0 531 219.373 77.391 97.236 1.00737.35 C ATOM 10214 O2* G 0 531 220.651 77.269 96.643 1.00737.35 O ATOM 10215 C1* G 0 531 219.024 76.103 97.985 1.00737.35 C ATOM 10216 N9 G 0 531 217.602 75.765 97.929 1.00737.35 N ATOM 10217 C8 G 0 531 216.648 76.011 98.889 1.00737.35 C ATOM 10218 N7 G 0 531 215.459 75.588 98.551 1.00737.35 N ATOM 10219 C5 G 0 531 215.637 75.029 97.292 1.00737.35 C ATOM 10220 C6 G 0 531 214.704 74.411 96.420 1.00737.35 C ATOM 10221 O6 G 0 531 213.492 74.223 96.594 1.00737.35 O ATOM 10222 N1 G 0 531 215.307 73.986 95.242 1.00737.35 N ATOM 10223 C2 G 0 531 216.637 74.136 94.938 1.00737.35 C ATOM 10224 N2 G 0 531 217.028 73.660 93.745 1.00737.35 N ATOM 10225 N3 G 0 531 217.518 74.709 95.741 1.00737.35 N ATOM 10226 C4 G 0 531 216.954 75.130 96.893 1.00737.35 C ATOM 10227 P A 0 532 219.462 80.834 97.349 1.00737.35 P ATOM 10228 O1P A 0 532 220.506 81.886 97.257 1.00737.35 O ATOM 10229 O2P A 0 532 218.171 81.140 98.019 1.00737.35 O ATOM 10230 O5* A 0 532 219.146 80.312 95.877 1.00737.35 O ATOM 10231 C5* A 0 532 220.201 80.027 94.959 1.00737.35 C ATOM 10232 C4* A 0 532 219.638 79.531 93.646 1.00737.35 C ATOM 10233 O4* A 0 532 218.985 78.251 93.846 1.00737.35 O ATOM 10234 C3* A 0 532 218.565 80.401 93.012 1.00737.35 C ATOM 10235 O3* A 0 532 219.140 81.476 92.277 1.00737.35 O ATOM 10236 C2* A 0 532 217.840 79.410 92.109 1.00737.35 C ATOM 10237 O2* A 0 532 218.504 79.187 90.882 1.00737.35 O ATOM 10238 C1* A 0 532 217.883 78.135 92.960 1.00737.35 C ATOM 10239 N9 A 0 532 216.667 77.921 93.751 1.00737.35 N ATOM 10240 C8 A 0 532 216.395 78.352 95.027 1.00737.35 C ATOM 10241 N7 A 0 532 215.210 78.001 95.463 1.00737.35 N ATOM 10242 C5 A 0 532 214.664 77.291 94.403 1.00737.35 C ATOM 10243 C6 A 0 532 213.419 76.653 94.233 1.00737.35 C ATOM 10244 N6 A 0 532 212.466 76.626 95.167 1.00737.35 N ATOM 10245 N1 A 0 532 213.188 76.036 93.056 1.00737.35 N ATOM 10246 C2 A 0 532 214.145 76.062 92.118 1.00737.35 C ATOM 10247 N3 A 0 532 215.349 76.627 92.160 1.00737.35 N ATOM 10248 C4 A 0 532 215.548 77.233 93.342 1.00737.35 C ATOM 10249 P C 0 533 218.298 82.828 92.051 1.00737.35 P ATOM 10250 O1P C 0 533 219.204 83.805 91.394 1.00737.35 O ATOM 10251 O2P C 0 533 217.631 83.189 93.327 1.00737.35 O ATOM 10252 O5* C 0 533 217.174 82.406 91.002 1.00737.35 O ATOM 10253 C5* C 0 533 217.520 82.048 89.667 1.00737.35 C ATOM 10254 C4* C 0 533 216.305 81.541 88.925 1.00737.35 C ATOM 10255 O4* C 0 533 215.832 80.315 89.543 1.00737.35 O ATOM 10256 C3* C 0 533 215.087 82.450 88.935 1.00737.35 C ATOM 10257 O3* C 0 533 215.182 83.453 87.927 1.00737.35 O ATOM 10258 C2* C 0 533 213.955 81.471 88.653 1.00737.35 C ATOM 10259 O2* C 0 533 213.816 81.161 87.278 1.00737.35 O ATOM 10260 C1* C 0 533 214.421 80.231 89.419 1.00737.35 C ATOM 10261 N1 C 0 533 213.824 80.110 90.767 1.00737.35 N ATOM 10262 C2 C 0 533 212.554 79.518 90.893 1.00737.35 C ATOM 10263 O2 C 0 533 211.966 79.117 89.874 1.00737.35 O ATOM 10264 N3 C 0 533 212.001 79.404 92.122 1.00737.35 N ATOM 10265 C4 C 0 533 212.657 79.851 93.195 1.00737.35 C ATOM 10266 N4 C 0 533 212.067 79.716 94.385 1.00737.35 N ATOM 10267 C5 C 0 533 213.944 80.456 93.096 1.00737.35 C ATOM 10268 C6 C 0 533 214.483 80.562 91.875 1.00737.35 C ATOM 10269 P U 0 534 214.509 84.894 88.167 1.00737.35 P ATOM 10270 O1P U 0 534 214.708 85.688 86.926 1.00737.35 O ATOM 10271 O2P U 0 534 214.993 85.428 89.465 1.00737.35 O ATOM 10272 O5* U 0 534 212.953 84.574 88.309 1.00737.35 O ATOM 10273 C5* U 0 534 212.224 83.988 87.232 1.00737.35 C ATOM 10274 C4* U 0 534 210.895 83.460 87.724 1.00737.35 C ATOM 10275 O4* U 0 534 211.125 82.428 88.720 1.00737.35 O ATOM 10276 C3* U 0 534 209.995 84.466 88.423 1.00737.35 C ATOM 10277 O3* U 0 534 209.239 85.215 87.476 1.00737.35 O ATOM 10278 C2* U 0 534 209.115 83.565 89.283 1.00737.35 C ATOM 10279 O2* U 0 534 208.052 82.975 88.562 1.00737.35 O ATOM 10280 C1* U 0 534 210.112 82.487 89.713 1.00737.35 C ATOM 10281 N1 U 0 534 210.743 82.757 91.016 1.00737.35 N ATOM 10282 C2 U 0 534 210.099 82.297 92.157 1.00737.35 C ATOM 10283 O2 U 0 534 209.046 81.680 92.126 1.00737.35 O ATOM 10284 N3 U 0 534 210.738 82.586 93.338 1.00737.35 N ATOM 10285 C4 U 0 534 211.924 83.270 93.498 1.00737.35 C ATOM 10286 O4 U 0 534 212.371 83.452 94.632 1.00737.35 O ATOM 10287 C5 U 0 534 212.527 83.713 92.280 1.00737.35 C ATOM 10288 C6 U 0 534 211.933 83.448 91.111 1.00737.35 C ATOM 10289 P U 0 535 208.441 86.529 87.949 1.00737.35 P ATOM 10290 O1P U 0 535 208.133 87.321 86.730 1.00737.35 O ATOM 10291 O2P U 0 535 209.185 87.168 89.069 1.00737.35 O ATOM 10292 O5* U 0 535 207.073 85.955 88.529 1.00737.35 O ATOM 10293 C5* U 0 535 206.086 85.401 87.662 1.00737.35 C ATOM 10294 C4* U 0 535 204.835 85.051 88.438 1.00737.35 C ATOM 10295 O4* U 0 535 205.118 83.962 89.351 1.00737.35 O ATOM 10296 C3* U 0 535 204.281 86.154 89.322 1.00737.35 C ATOM 10297 O3* U 0 535 203.461 87.044 88.568 1.00737.35 O ATOM 10298 C2* U 0 535 203.483 85.369 90.358 1.00737.35 C ATOM 10299 O2* U 0 535 202.200 84.991 89.900 1.00737.35 O ATOM 10300 C1* U 0 535 204.357 84.124 90.539 1.00737.35 C ATOM 10301 N1 U 0 535 205.279 84.201 91.686 1.00737.35 N ATOM 10302 C2 U 0 535 204.787 83.856 92.938 1.00737.35 C ATOM 10303 O2 U 0 535 203.633 83.499 93.127 1.00737.35 O ATOM 10304 N3 U 0 535 205.698 83.944 93.961 1.00737.35 N ATOM 10305 C4 U 0 535 207.018 84.331 93.871 1.00737.35 C ATOM 10306 O4 U 0 535 207.713 84.358 94.887 1.00737.35 O ATOM 10307 C5 U 0 535 207.451 84.671 92.549 1.00737.35 C ATOM 10308 C6 U 0 535 206.590 84.597 91.529 1.00737.35 C ATOM 10309 P A 0 536 203.448 88.613 88.921 1.00737.35 P ATOM 10310 O1P A 0 536 203.288 89.345 87.636 1.00737.35 O ATOM 10311 O2P A 0 536 204.605 88.926 89.799 1.00737.35 O ATOM 10312 O5* A 0 536 202.117 88.804 89.775 1.00737.35 O ATOM 10313 C5* A 0 536 200.837 88.848 89.145 1.00737.35 C ATOM 10314 C4* A 0 536 199.849 89.588 90.015 1.00737.35 C ATOM 10315 O4* A 0 536 199.611 88.828 91.229 1.00737.35 O ATOM 10316 C3* A 0 536 200.306 90.955 90.505 1.00737.35 C ATOM 10317 O3* A 0 536 200.035 91.957 89.529 1.00737.35 O ATOM 10318 C2* A 0 536 199.472 91.142 91.768 1.00737.35 C ATOM 10319 O2* A 0 536 198.152 91.575 91.502 1.00737.35 O ATOM 10320 C1* A 0 536 199.448 89.716 92.326 1.00737.35 C ATOM 10321 N9 A 0 536 200.510 89.449 93.298 1.00737.35 N ATOM 10322 C8 A 0 536 201.660 88.715 93.113 1.00737.35 C ATOM 10323 N7 A 0 536 202.422 88.653 94.174 1.00737.35 N ATOM 10324 C5 A 0 536 201.736 89.393 95.126 1.00737.35 C ATOM 10325 C6 A 0 536 202.021 89.710 96.465 1.00737.35 C ATOM 10326 N6 A 0 536 203.118 89.300 97.105 1.00737.35 N ATOM 10327 N1 A 0 536 201.129 90.470 97.134 1.00737.35 N ATOM 10328 C2 A 0 536 200.028 90.881 96.492 1.00737.35 C ATOM 10329 N3 A 0 536 199.649 90.649 95.238 1.00737.35 N ATOM 10330 C4 A 0 536 200.557 89.890 94.599 1.00737.35 C ATOM 10331 P C 0 537 201.091 93.147 89.295 1.00737.35 P ATOM 10332 O1P C 0 537 202.399 92.529 88.954 1.00737.35 O ATOM 10333 O2P C 0 537 201.001 94.083 90.446 1.00737.35 O ATOM 10334 O5* C 0 537 200.537 93.896 88.002 1.00737.35 O ATOM 10335 C5* C 0 537 200.516 93.247 86.732 1.00737.35 C ATOM 10336 C4* C 0 537 199.168 92.606 86.500 1.00737.35 C ATOM 10337 O4* C 0 537 198.130 93.617 86.610 1.00737.35 O ATOM 10338 C3* C 0 537 198.945 92.001 85.123 1.00737.35 C ATOM 10339 O3* C 0 537 199.484 90.685 85.041 1.00737.35 O ATOM 10340 C2* C 0 537 197.424 91.992 85.029 1.00737.35 C ATOM 10341 O2* C 0 537 196.842 90.918 85.739 1.00737.35 O ATOM 10342 C1* C 0 537 197.071 93.312 85.716 1.00737.35 C ATOM 10343 N1 C 0 537 196.901 94.437 84.774 1.00737.35 N ATOM 10344 C2 C 0 537 195.618 94.725 84.285 1.00737.35 C ATOM 10345 O2 C 0 537 194.656 94.033 84.658 1.00737.35 O ATOM 10346 N3 C 0 537 195.459 95.751 83.415 1.00737.35 N ATOM 10347 C4 C 0 537 196.514 96.474 83.035 1.00737.35 C ATOM 10348 N4 C 0 537 196.306 97.477 82.176 1.00737.35 N ATOM 10349 C5 C 0 537 197.827 96.205 83.517 1.00737.35 C ATOM 10350 C6 C 0 537 197.975 95.189 84.375 1.00737.35 C ATOM 10351 P A 0 538 200.031 90.132 83.631 1.00737.35 P ATOM 10352 O1P A 0 538 201.438 89.699 83.850 1.00737.35 O ATOM 10353 O2P A 0 538 199.730 91.126 82.567 1.00737.35 O ATOM 10354 O5* A 0 538 199.141 88.839 83.354 1.00737.35 O ATOM 10355 C5* A 0 538 199.548 87.550 83.810 1.00737.35 C ATOM 10356 C4* A 0 538 198.345 86.651 83.988 1.00737.35 C ATOM 10357 O4* A 0 538 197.490 87.198 85.026 1.00737.35 O ATOM 10358 C3* A 0 538 197.428 86.522 82.781 1.00737.35 C ATOM 10359 O3* A 0 538 197.907 85.536 81.869 1.00737.35 O ATOM 10360 C2* A 0 538 196.109 86.113 83.424 1.00737.35 C ATOM 10361 O2* A 0 538 196.044 84.736 83.740 1.00737.35 O ATOM 10362 C1* A 0 538 196.131 86.936 84.715 1.00737.35 C ATOM 10363 N9 A 0 538 195.430 88.219 84.619 1.00737.35 N ATOM 10364 C8 A 0 538 195.534 89.178 83.638 1.00737.35 C ATOM 10365 N7 A 0 538 194.771 90.224 83.839 1.00737.35 N ATOM 10366 C5 A 0 538 194.120 89.939 85.030 1.00737.35 C ATOM 10367 C6 A 0 538 193.175 90.657 85.787 1.00737.35 C ATOM 10368 N6 A 0 538 192.705 91.856 85.439 1.00737.35 N ATOM 10369 N1 A 0 538 192.726 90.092 86.928 1.00737.35 N ATOM 10370 C2 A 0 538 193.199 88.889 87.276 1.00737.35 C ATOM 10371 N3 A 0 538 194.087 88.117 86.651 1.00737.35 N ATOM 10372 C4 A 0 538 194.513 88.707 85.521 1.00737.35 C ATOM 10373 P A 0 539 197.702 85.747 80.288 1.00737.35 P ATOM 10374 O1P A 0 539 198.204 84.522 79.614 1.00737.35 O ATOM 10375 O2P A 0 539 198.272 87.070 79.919 1.00737.35 O ATOM 10376 O5* A 0 539 196.119 85.825 80.118 1.00737.35 O ATOM 10377 C5* A 0 539 195.385 84.763 79.509 1.00737.35 C ATOM 10378 C4* A 0 539 194.844 83.832 80.567 1.00737.35 C ATOM 10379 O4* A 0 539 194.146 84.603 81.578 1.00737.35 O ATOM 10380 C3* A 0 539 193.819 82.813 80.096 1.00737.35 C ATOM 10381 O3* A 0 539 194.468 81.655 79.572 1.00737.35 O ATOM 10382 C2* A 0 539 193.071 82.483 81.385 1.00737.35 C ATOM 10383 O2* A 0 539 193.740 81.521 82.175 1.00737.35 O ATOM 10384 C1* A 0 539 193.082 83.832 82.110 1.00737.35 C ATOM 10385 N9 A 0 539 191.841 84.595 81.988 1.00737.35 N ATOM 10386 C8 A 0 539 191.492 85.508 81.024 1.00737.35 C ATOM 10387 N7 A 0 539 190.305 86.038 81.201 1.00737.35 N ATOM 10388 C5 A 0 539 189.840 85.432 82.359 1.00737.35 C ATOM 10389 C6 A 0 539 188.641 85.566 83.081 1.00737.35 C ATOM 10390 N6 A 0 539 187.652 86.390 82.727 1.00737.35 N ATOM 10391 N1 A 0 539 188.490 84.813 84.193 1.00737.35 N ATOM 10392 C2 A 0 539 189.483 83.991 84.549 1.00737.35 C ATOM 10393 N3 A 0 539 190.655 83.779 83.957 1.00737.35 N ATOM 10394 C4 A 0 539 190.775 84.539 82.853 1.00737.35 C ATOM 10395 P G 0 540 193.972 81.015 78.181 1.00737.35 P ATOM 10396 O1P G 0 540 194.590 81.802 77.084 1.00737.35 O ATOM 10397 O2P G 0 540 192.496 80.861 78.231 1.00737.35 O ATOM 10398 O5* G 0 540 194.623 79.560 78.175 1.00737.35 O ATOM 10399 C5* G 0 540 195.988 79.364 78.536 1.00737.35 C ATOM 10400 C4* G 0 540 196.087 78.403 79.699 1.00737.35 C ATOM 10401 O4* G 0 540 195.306 78.929 80.803 1.00737.35 O ATOM 10402 C3* G 0 540 195.521 77.011 79.457 1.00737.35 C ATOM 10403 O3* G 0 540 196.497 76.158 78.865 1.00737.35 O ATOM 10404 C2* G 0 540 195.158 76.561 80.868 1.00737.35 C ATOM 10405 O2* G 0 540 196.267 76.084 81.603 1.00737.35 O ATOM 10406 C1* G 0 540 194.650 77.870 81.479 1.00737.35 C ATOM 10407 N9 G 0 540 193.209 78.077 81.354 1.00737.35 N ATOM 10408 C8 G 0 540 192.396 77.678 80.317 1.00737.35 C ATOM 10409 N7 G 0 540 191.146 78.011 80.490 1.00737.35 N ATOM 10410 C5 G 0 540 191.129 78.668 81.711 1.00737.35 C ATOM 10411 C6 G 0 540 190.050 79.259 82.420 1.00737.35 C ATOM 10412 O6 G 0 540 188.857 79.318 82.102 1.00737.35 O ATOM 10413 N1 G 0 540 190.477 79.825 83.615 1.00737.35 N ATOM 10414 C2 G 0 540 191.771 79.823 84.075 1.00737.35 C ATOM 10415 N2 G 0 540 191.980 80.430 85.251 1.00737.35 N ATOM 10416 N3 G 0 540 192.783 79.269 83.427 1.00737.35 N ATOM 10417 C4 G 0 540 192.393 78.716 82.260 1.00737.35 C ATOM 10418 P C 0 541 196.035 74.996 77.852 1.00737.35 P ATOM 10419 O1P C 0 541 197.244 74.197 77.522 1.00737.35 O ATOM 10420 O2P C 0 541 195.240 75.611 76.759 1.00737.35 O ATOM 10421 O5* C 0 541 195.062 74.084 78.723 1.00737.35 O ATOM 10422 C5* C 0 541 195.540 73.386 79.869 1.00737.35 C ATOM 10423 C4* C 0 541 194.412 73.161 80.849 1.00737.35 C ATOM 10424 O4* C 0 541 193.355 72.408 80.192 1.00737.35 O ATOM 10425 C3* C 0 541 194.758 72.326 82.070 1.00737.35 C ATOM 10426 O3* C 0 541 195.360 73.121 83.093 1.00737.35 O ATOM 10427 C2* C 0 541 193.394 71.786 82.484 1.00737.35 C ATOM 10428 O2* C 0 541 192.621 72.722 83.209 1.00737.35 O ATOM 10429 C1* C 0 541 192.752 71.520 81.120 1.00737.35 C ATOM 10430 N1 C 0 541 192.952 70.132 80.652 1.00737.35 N ATOM 10431 C2 C 0 541 192.035 69.145 81.049 1.00737.35 C ATOM 10432 O2 C 0 541 191.074 69.462 81.769 1.00737.35 O ATOM 10433 N3 C 0 541 192.219 67.870 80.635 1.00737.35 N ATOM 10434 C4 C 0 541 193.264 67.563 79.861 1.00737.35 C ATOM 10435 N4 C 0 541 193.409 66.291 79.486 1.00737.35 N ATOM 10436 C5 C 0 541 194.204 68.546 79.440 1.00737.35 C ATOM 10437 C6 C 0 541 194.012 69.805 79.852 1.00737.35 C ATOM 10438 P A 0 542 195.907 72.418 84.434 1.00737.35 P ATOM 10439 O1P A 0 542 195.896 70.946 84.236 1.00737.35 O ATOM 10440 O2P A 0 542 195.165 73.007 85.577 1.00737.35 O ATOM 10441 O5* A 0 542 197.427 72.888 84.548 1.00737.35 O ATOM 10442 C5* A 0 542 198.312 72.843 83.427 1.00737.35 C ATOM 10443 C4* A 0 542 199.074 71.537 83.413 1.00737.35 C ATOM 10444 O4* A 0 542 198.159 70.471 83.032 1.00737.35 O ATOM 10445 C3* A 0 542 200.197 71.441 82.391 1.00737.35 C ATOM 10446 O3* A 0 542 201.413 71.968 82.917 1.00737.35 O ATOM 10447 C2* A 0 542 200.304 69.937 82.174 1.00737.35 C ATOM 10448 O2* A 0 542 201.025 69.275 83.195 1.00737.35 O ATOM 10449 C1* A 0 542 198.834 69.521 82.222 1.00737.35 C ATOM 10450 N9 A 0 542 198.209 69.507 80.899 1.00737.35 N ATOM 10451 C8 A 0 542 197.526 70.521 80.269 1.00737.35 C ATOM 10452 N7 A 0 542 197.094 70.205 79.073 1.00737.35 N ATOM 10453 C5 A 0 542 197.517 68.894 78.902 1.00737.35 C ATOM 10454 C6 A 0 542 197.374 67.987 77.837 1.00737.35 C ATOM 10455 N6 A 0 542 196.739 68.276 76.698 1.00737.35 N ATOM 10456 N1 A 0 542 197.915 66.757 77.983 1.00737.35 N ATOM 10457 C2 A 0 542 198.552 66.471 79.125 1.00737.35 C ATOM 10458 N3 A 0 542 198.751 67.235 80.196 1.00737.35 N ATOM 10459 C4 A 0 542 198.203 68.451 80.017 1.00737.35 C ATOM 10460 P G 0 543 202.281 73.011 82.052 1.00737.35 P ATOM 10461 O1P G 0 543 203.630 73.078 82.668 1.00737.35 O ATOM 10462 O2P G 0 543 201.486 74.257 81.898 1.00737.35 O ATOM 10463 O5* G 0 543 202.427 72.337 80.614 1.00737.35 O ATOM 10464 C5* G 0 543 202.779 70.960 80.474 1.00737.35 C ATOM 10465 C4* G 0 543 202.787 70.570 79.015 1.00737.35 C ATOM 10466 O4* G 0 543 201.514 70.940 78.417 1.00737.35 O ATOM 10467 C3* G 0 543 203.827 71.269 78.154 1.00737.35 C ATOM 10468 O3* G 0 543 205.075 70.579 78.221 1.00737.35 O ATOM 10469 C2* G 0 543 203.200 71.199 76.768 1.00737.35 C ATOM 10470 O2* G 0 543 203.360 69.940 76.146 1.00737.35 O ATOM 10471 C1* G 0 543 201.724 71.425 77.097 1.00737.35 C ATOM 10472 N9 G 0 543 201.334 72.835 77.057 1.00737.35 N ATOM 10473 C8 G 0 543 201.186 73.684 78.128 1.00737.35 C ATOM 10474 N7 G 0 543 200.832 74.890 77.780 1.00737.35 N ATOM 10475 C5 G 0 543 200.740 74.840 76.397 1.00737.35 C ATOM 10476 C6 G 0 543 200.396 75.849 75.464 1.00737.35 C ATOM 10477 O6 G 0 543 200.096 77.029 75.678 1.00737.35 O ATOM 10478 N1 G 0 543 200.426 75.368 74.157 1.00737.35 N ATOM 10479 C2 G 0 543 200.743 74.085 73.795 1.00737.35 C ATOM 10480 N2 G 0 543 200.714 73.819 72.479 1.00737.35 N ATOM 10481 N3 G 0 543 201.066 73.130 74.657 1.00737.35 N ATOM 10482 C4 G 0 543 201.045 73.577 75.933 1.00737.35 C ATOM 10483 P U 0 544 206.423 71.313 77.737 1.00737.35 P ATOM 10484 O1P U 0 544 207.564 70.486 78.211 1.00737.35 O ATOM 10485 O2P U 0 544 206.351 72.747 78.123 1.00737.35 O ATOM 10486 O5* U 0 544 206.363 71.216 76.149 1.00737.35 O ATOM 10487 C5* U 0 544 206.357 69.950 75.491 1.00737.35 C ATOM 10488 C4* U 0 544 206.134 70.131 74.006 1.00737.35 C ATOM 10489 O4* U 0 544 204.833 70.733 73.784 1.00737.35 O ATOM 10490 C3* U 0 544 207.109 71.062 73.304 1.00737.35 C ATOM 10491 O3* U 0 544 208.296 70.368 72.936 1.00737.35 O ATOM 10492 C2* U 0 544 206.309 71.507 72.086 1.00737.35 C ATOM 10493 O2* U 0 544 206.322 70.563 71.034 1.00737.35 O ATOM 10494 C1* U 0 544 204.896 71.613 72.672 1.00737.35 C ATOM 10495 N1 U 0 544 204.543 72.970 73.122 1.00737.35 N ATOM 10496 C2 U 0 544 204.001 73.845 72.189 1.00737.35 C ATOM 10497 O2 U 0 544 203.810 73.538 71.020 1.00737.35 O ATOM 10498 N3 U 0 544 203.692 75.092 72.674 1.00737.35 N ATOM 10499 C4 U 0 544 203.862 75.547 73.966 1.00737.35 C ATOM 10500 O4 U 0 544 203.532 76.701 74.247 1.00737.35 O ATOM 10501 C5 U 0 544 204.422 74.590 74.868 1.00737.35 C ATOM 10502 C6 U 0 544 204.735 73.369 74.428 1.00737.35 C ATOM 10503 P C 0 545 209.710 71.136 72.959 1.00737.35 P ATOM 10504 O1P C 0 545 210.747 70.163 72.535 1.00737.35 O ATOM 10505 O2P C 0 545 209.847 71.830 74.265 1.00737.35 O ATOM 10506 O5* C 0 545 209.564 72.241 71.821 1.00737.35 O ATOM 10507 C5* C 0 545 209.498 71.875 70.443 1.00737.35 C ATOM 10508 C4* C 0 545 209.241 73.094 69.588 1.00737.35 C ATOM 10509 O4* C 0 545 207.935 73.642 69.911 1.00737.35 O ATOM 10510 C3* C 0 545 210.200 74.255 69.798 1.00737.35 C ATOM 10511 O3* C 0 545 211.387 74.090 69.025 1.00737.35 O ATOM 10512 C2* C 0 545 209.373 75.447 69.332 1.00737.35 C ATOM 10513 O2* C 0 545 209.352 75.595 67.926 1.00737.35 O ATOM 10514 C1* C 0 545 207.979 75.060 69.835 1.00737.35 C ATOM 10515 N1 C 0 545 207.658 75.615 71.167 1.00737.35 N ATOM 10516 C2 C 0 545 207.113 76.909 71.250 1.00737.35 C ATOM 10517 O2 C 0 545 206.916 77.553 70.207 1.00737.35 O ATOM 10518 N3 C 0 545 206.818 77.420 72.468 1.00737.35 N ATOM 10519 C4 C 0 545 207.046 76.702 73.570 1.00737.35 C ATOM 10520 N4 C 0 545 206.736 77.249 74.747 1.00737.35 N ATOM 10521 C5 C 0 545 207.598 75.388 73.514 1.00737.35 C ATOM 10522 C6 C 0 545 207.886 74.890 72.306 1.00737.35 C ATOM 10523 P A 0 546 212.762 74.756 69.525 1.00737.35 P ATOM 10524 O1P A 0 546 213.820 74.360 68.562 1.00737.35 O ATOM 10525 O2P A 0 546 212.935 74.451 70.969 1.00737.35 O ATOM 10526 O5* A 0 546 212.508 76.320 69.375 1.00737.35 O ATOM 10527 C5* A 0 546 212.385 76.924 68.088 1.00737.35 C ATOM 10528 C4* A 0 546 212.061 78.394 68.221 1.00737.35 C ATOM 10529 O4* A 0 546 210.755 78.549 68.831 1.00737.35 O ATOM 10530 C3* A 0 546 212.990 79.201 69.112 1.00737.35 C ATOM 10531 O3* A 0 546 214.154 79.610 68.400 1.00737.35 O ATOM 10532 C2* A 0 546 212.112 80.384 69.505 1.00737.35 C ATOM 10533 O2* A 0 546 212.059 81.391 68.514 1.00737.35 O ATOM 10534 C1* A 0 546 210.740 79.716 69.639 1.00737.35 C ATOM 10535 N9 A 0 546 210.407 79.329 71.011 1.00737.35 N ATOM 10536 C8 A 0 546 210.680 78.142 71.651 1.00737.35 C ATOM 10537 N7 A 0 546 210.248 78.097 72.887 1.00737.35 N ATOM 10538 C5 A 0 546 209.651 79.335 73.078 1.00737.35 C ATOM 10539 C6 A 0 546 208.999 79.910 74.184 1.00737.35 C ATOM 10540 N6 A 0 546 208.837 79.290 75.356 1.00737.35 N ATOM 10541 N1 A 0 546 208.515 81.164 74.045 1.00737.35 N ATOM 10542 C2 A 0 546 208.679 81.788 72.871 1.00737.35 C ATOM 10543 N3 A 0 546 209.270 81.352 71.762 1.00737.35 N ATOM 10544 C4 A 0 546 209.740 80.104 71.932 1.00737.35 C ATOM 10545 P U 0 547 215.518 79.905 69.201 1.00737.35 P ATOM 10546 O1P U 0 547 216.589 80.086 68.189 1.00737.35 O ATOM 10547 O2P U 0 547 215.680 78.875 70.259 1.00737.35 O ATOM 10548 O5* U 0 547 215.253 81.309 69.906 1.00737.35 O ATOM 10549 C5* U 0 547 215.150 82.507 69.139 1.00737.35 C ATOM 10550 C4* U 0 547 214.751 83.667 70.022 1.00737.35 C ATOM 10551 O4* U 0 547 213.428 83.427 70.568 1.00737.35 O ATOM 10552 C3* U 0 547 215.624 83.899 71.247 1.00737.35 C ATOM 10553 O3* U 0 547 216.776 84.667 70.919 1.00737.35 O ATOM 10554 C2* U 0 547 214.677 84.653 72.175 1.00737.35 C ATOM 10555 O2* U 0 547 214.580 86.030 71.871 1.00737.35 O ATOM 10556 C1* U 0 547 213.345 83.959 71.879 1.00737.35 C ATOM 10557 N1 U 0 547 213.034 82.865 72.816 1.00737.35 N ATOM 10558 C2 U 0 547 212.329 83.180 73.970 1.00737.35 C ATOM 10559 O2 U 0 547 211.956 84.312 74.236 1.00737.35 O ATOM 10560 N3 U 0 547 212.077 82.116 74.801 1.00737.35 N ATOM 10561 C4 U 0 547 212.445 80.802 74.606 1.00737.35 C ATOM 10562 O4 U 0 547 212.143 79.958 75.451 1.00737.35 O ATOM 10563 C5 U 0 547 213.165 80.555 73.395 1.00737.35 C ATOM 10564 C6 U 0 547 213.428 81.566 72.563 1.00737.35 C ATOM 10565 P G 0 548 218.103 84.538 71.820 1.00737.35 P ATOM 10566 O1P G 0 548 219.163 85.340 71.158 1.00737.35 O ATOM 10567 O2P G 0 548 218.344 83.101 72.105 1.00737.35 O ATOM 10568 O5* G 0 548 217.711 85.257 73.186 1.00737.35 O ATOM 10569 C5* G 0 548 217.526 86.671 73.244 1.00737.35 C ATOM 10570 C4* G 0 548 217.021 87.084 74.608 1.00737.35 C ATOM 10571 O4* G 0 548 215.704 86.511 74.829 1.00737.35 O ATOM 10572 C3* G 0 548 217.840 86.606 75.796 1.00737.35 C ATOM 10573 O3* G 0 548 218.943 87.477 76.040 1.00737.35 O ATOM 10574 C2* G 0 548 216.819 86.643 76.927 1.00737.35 C ATOM 10575 O2* G 0 548 216.627 87.938 77.462 1.00737.35 O ATOM 10576 C1* G 0 548 215.549 86.189 76.203 1.00737.35 C ATOM 10577 N9 G 0 548 215.298 84.752 76.315 1.00737.35 N ATOM 10578 C8 G 0 548 215.712 83.763 75.452 1.00737.35 C ATOM 10579 N7 G 0 548 215.333 82.571 75.822 1.00737.35 N ATOM 10580 C5 G 0 548 214.627 82.781 76.999 1.00737.35 C ATOM 10581 C6 G 0 548 213.977 81.857 77.859 1.00737.35 C ATOM 10582 O6 G 0 548 213.894 80.628 77.748 1.00737.35 O ATOM 10583 N1 G 0 548 213.384 82.498 78.941 1.00737.35 N ATOM 10584 C2 G 0 548 213.411 83.850 79.169 1.00737.35 C ATOM 10585 N2 G 0 548 212.776 84.276 80.271 1.00737.35 N ATOM 10586 N3 G 0 548 214.012 84.723 78.377 1.00737.35 N ATOM 10587 C4 G 0 548 214.596 84.123 77.317 1.00737.35 C ATOM 10588 P G 0 549 220.196 86.953 76.903 1.00737.35 P ATOM 10589 O1P G 0 549 221.289 87.946 76.737 1.00737.35 O ATOM 10590 O2P G 0 549 220.447 85.528 76.567 1.00737.35 O ATOM 10591 O5* G 0 549 219.681 87.025 78.409 1.00737.35 O ATOM 10592 C5* G 0 549 219.397 88.280 79.026 1.00737.35 C ATOM 10593 C4* G 0 549 218.766 88.071 80.384 1.00737.35 C ATOM 10594 O4* G 0 549 217.491 87.393 80.226 1.00737.35 O ATOM 10595 C3* G 0 549 219.540 87.188 81.349 1.00737.35 C ATOM 10596 O3* G 0 549 220.543 87.932 82.034 1.00737.35 O ATOM 10597 C2* G 0 549 218.444 86.708 82.294 1.00737.35 C ATOM 10598 O2* G 0 549 218.108 87.657 83.287 1.00737.35 O ATOM 10599 C1* G 0 549 217.269 86.529 81.330 1.00737.35 C ATOM 10600 N9 G 0 549 217.130 85.162 80.831 1.00737.35 N ATOM 10601 C8 G 0 549 217.659 84.641 79.672 1.00737.35 C ATOM 10602 N7 G 0 549 217.362 83.382 79.497 1.00737.35 N ATOM 10603 C5 G 0 549 216.596 83.049 80.605 1.00737.35 C ATOM 10604 C6 G 0 549 215.990 81.819 80.970 1.00737.35 C ATOM 10605 O6 G 0 549 216.010 80.740 80.363 1.00737.35 O ATOM 10606 N1 G 0 549 215.305 81.925 82.175 1.00737.35 N ATOM 10607 C2 G 0 549 215.209 83.063 82.937 1.00737.35 C ATOM 10608 N2 G 0 549 214.502 82.962 84.068 1.00737.35 N ATOM 10609 N3 G 0 549 215.769 84.217 82.607 1.00737.35 N ATOM 10610 C4 G 0 549 216.443 84.137 81.439 1.00737.35 C ATOM 10611 P C 0 550 221.824 87.175 82.644 1.00737.35 P ATOM 10612 O1P C 0 550 222.715 88.211 83.227 1.00737.35 O ATOM 10613 O2P C 0 550 222.357 86.247 81.616 1.00737.35 O ATOM 10614 O5* C 0 550 221.223 86.305 83.837 1.00737.35 O ATOM 10615 C5* C 0 550 220.670 86.930 84.994 1.00737.35 C ATOM 10616 C4* C 0 550 220.107 85.892 85.938 1.00737.35 C ATOM 10617 O4* C 0 550 218.998 85.209 85.298 1.00737.35 O ATOM 10618 C3* C 0 550 221.056 84.771 86.333 1.00737.35 C ATOM 10619 O3* C 0 550 221.892 85.170 87.417 1.00737.35 O ATOM 10620 C2* C 0 550 220.094 83.661 86.733 1.00737.35 C ATOM 10621 O2* C 0 550 219.582 83.812 88.045 1.00737.35 O ATOM 10622 C1* C 0 550 218.966 83.851 85.713 1.00737.35 C ATOM 10623 N1 C 0 550 219.095 82.984 84.522 1.00737.35 N ATOM 10624 C2 C 0 550 218.570 81.680 84.572 1.00737.35 C ATOM 10625 O2 C 0 550 218.014 81.288 85.611 1.00737.35 O ATOM 10626 N3 C 0 550 218.686 80.883 83.485 1.00737.35 N ATOM 10627 C4 C 0 550 219.294 81.334 82.385 1.00737.35 C ATOM 10628 N4 C 0 550 219.384 80.510 81.339 1.00737.35 N ATOM 10629 C5 C 0 550 219.834 82.649 82.307 1.00737.35 C ATOM 10630 C6 C 0 550 219.716 83.433 83.388 1.00737.35 C ATOM 10631 P A 0 551 223.349 84.510 87.581 1.00737.35 P ATOM 10632 O1P A 0 551 223.997 85.159 88.751 1.00737.35 O ATOM 10633 O2P A 0 551 224.029 84.534 86.261 1.00737.35 O ATOM 10634 O5* A 0 551 223.044 82.991 87.954 1.00737.35 O ATOM 10635 C5* A 0 551 222.524 82.641 89.236 1.00737.35 C ATOM 10636 C4* A 0 551 222.287 81.150 89.320 1.00737.35 C ATOM 10637 O4* A 0 551 221.235 80.775 88.392 1.00737.35 O ATOM 10638 C3* A 0 551 223.459 80.268 88.928 1.00737.35 C ATOM 10639 O3* A 0 551 224.367 80.099 90.013 1.00737.35 O ATOM 10640 C2* A 0 551 222.771 78.964 88.553 1.00737.35 C ATOM 10641 O2* A 0 551 222.429 78.169 89.671 1.00737.35 O ATOM 10642 C1* A 0 551 221.498 79.479 87.874 1.00737.35 C ATOM 10643 N9 A 0 551 221.614 79.570 86.416 1.00737.35 N ATOM 10644 C8 A 0 551 221.784 80.696 85.645 1.00737.35 C ATOM 10645 N7 A 0 551 221.853 80.450 84.359 1.00737.35 N ATOM 10646 C5 A 0 551 221.721 79.072 84.276 1.00737.35 C ATOM 10647 C6 A 0 551 221.713 78.186 83.183 1.00737.35 C ATOM 10648 N6 A 0 551 221.845 78.578 81.912 1.00737.35 N ATOM 10649 N1 A 0 551 221.564 76.868 83.445 1.00737.35 N ATOM 10650 C2 A 0 551 221.431 76.479 84.717 1.00737.35 C ATOM 10651 N3 A 0 551 221.421 77.212 85.826 1.00737.35 N ATOM 10652 C4 A 0 551 221.572 78.516 85.533 1.00737.35 C ATOM 10653 P C 0 552 225.924 79.826 89.714 1.00737.35 P ATOM 10654 O1P C 0 552 226.614 79.728 91.028 1.00737.35 O ATOM 10655 O2P C 0 552 226.392 80.819 88.715 1.00737.35 O ATOM 10656 O5* C 0 552 225.938 78.386 89.030 1.00737.35 O ATOM 10657 C5* C 0 552 225.687 77.209 89.795 1.00737.35 C ATOM 10658 C4* C 0 552 225.957 75.972 88.968 1.00737.35 C ATOM 10659 O4* C 0 552 224.979 75.872 87.901 1.00737.35 O ATOM 10660 C3* C 0 552 227.294 75.930 88.244 1.00737.35 C ATOM 10661 O3* C 0 552 228.338 75.498 89.110 1.00737.35 O ATOM 10662 C2* C 0 552 227.023 74.924 87.132 1.00737.35 C ATOM 10663 O2* C 0 552 227.126 73.581 87.559 1.00737.35 O ATOM 10664 C1* C 0 552 225.570 75.245 86.772 1.00737.35 C ATOM 10665 N1 C 0 552 225.432 76.133 85.598 1.00737.35 N ATOM 10666 C2 C 0 552 225.379 75.560 84.314 1.00737.35 C ATOM 10667 O2 C 0 552 225.447 74.324 84.197 1.00737.35 O ATOM 10668 N3 C 0 552 225.255 76.368 83.237 1.00737.35 N ATOM 10669 C4 C 0 552 225.186 77.691 83.397 1.00737.35 C ATOM 10670 N4 C 0 552 225.064 78.446 82.303 1.00737.35 N ATOM 10671 C5 C 0 552 225.236 78.299 84.685 1.00737.35 C ATOM 10672 C6 C 0 552 225.358 77.492 85.748 1.00737.35 C ATOM 10673 P C 0 553 229.751 76.268 89.101 1.00737.35 P ATOM 10674 O1P C 0 553 230.689 75.483 89.944 1.00737.35 O ATOM 10675 O2P C 0 553 229.502 77.697 89.420 1.00737.35 O ATOM 10676 O5* C 0 553 230.229 76.174 87.585 1.00737.35 O ATOM 10677 C5* C 0 553 230.811 74.979 87.070 1.00737.35 C ATOM 10678 C4* C 0 553 230.064 74.519 85.843 1.00737.35 C ATOM 10679 O4* C 0 553 230.042 75.583 84.857 1.00737.35 O ATOM 10680 C3* C 0 553 230.685 73.344 85.107 1.00737.35 C ATOM 10681 O3* C 0 553 230.289 72.108 85.695 1.00737.35 O ATOM 10682 C2* C 0 553 230.115 73.503 83.702 1.00737.35 C ATOM 10683 O2* C 0 553 228.802 72.995 83.572 1.00737.35 O ATOM 10684 C1* C 0 553 230.096 75.028 83.551 1.00737.35 C ATOM 10685 N1 C 0 553 231.276 75.569 82.851 1.00737.35 N ATOM 10686 C2 C 0 553 231.248 75.665 81.448 1.00737.35 C ATOM 10687 O2 C 0 553 230.234 75.295 80.835 1.00737.35 O ATOM 10688 N3 C 0 553 232.328 76.158 80.799 1.00737.35 N ATOM 10689 C4 C 0 553 233.404 76.548 81.489 1.00737.35 C ATOM 10690 N4 C 0 553 234.444 77.026 80.805 1.00737.35 N ATOM 10691 C5 C 0 553 233.458 76.462 82.911 1.00737.35 C ATOM 10692 C6 C 0 553 232.385 75.974 83.544 1.00737.35 C ATOM 10693 P U 0 554 231.398 71.147 86.352 1.00737.35 P ATOM 10694 O1P U 0 554 231.636 71.632 87.735 1.00737.35 O ATOM 10695 O2P U 0 554 232.542 71.028 85.410 1.00737.35 O ATOM 10696 O5* U 0 554 230.679 69.728 86.442 1.00737.35 O ATOM 10697 C5* U 0 554 231.327 68.617 87.055 1.00737.35 C ATOM 10698 C4* U 0 554 231.708 67.595 86.008 1.00737.35 C ATOM 10699 O4* U 0 554 232.468 66.526 86.632 1.00737.35 O ATOM 10700 C3* U 0 554 230.552 66.882 85.325 1.00737.35 C ATOM 10701 O3* U 0 554 230.033 67.661 84.251 1.00737.35 O ATOM 10702 C2* U 0 554 231.210 65.595 84.840 1.00737.35 C ATOM 10703 O2* U 0 554 231.941 65.762 83.642 1.00737.35 O ATOM 10704 C1* U 0 554 232.172 65.294 85.991 1.00737.35 C ATOM 10705 N1 U 0 554 231.622 64.361 86.991 1.00737.35 N ATOM 10706 C2 U 0 554 231.799 63.000 86.773 1.00737.35 C ATOM 10707 O2 U 0 554 232.386 62.549 85.801 1.00737.35 O ATOM 10708 N3 U 0 554 231.260 62.185 87.738 1.00737.35 N ATOM 10709 C4 U 0 554 230.580 62.575 88.874 1.00737.35 C ATOM 10710 O4 U 0 554 230.154 61.717 89.648 1.00737.35 O ATOM 10711 C5 U 0 554 230.438 63.989 89.029 1.00737.35 C ATOM 10712 C6 U 0 554 230.951 64.813 88.108 1.00737.35 C ATOM 10713 P U 0 555 228.596 67.302 83.620 1.00737.35 P ATOM 10714 O1P U 0 555 228.104 68.524 82.933 1.00737.35 O ATOM 10715 O2P U 0 555 227.759 66.666 84.668 1.00737.35 O ATOM 10716 O5* U 0 555 228.934 66.202 82.517 1.00737.35 O ATOM 10717 C5* U 0 555 229.299 66.576 81.192 1.00737.35 C ATOM 10718 C4* U 0 555 230.665 66.033 80.850 1.00737.35 C ATOM 10719 O4* U 0 555 230.672 64.594 81.032 1.00737.35 O ATOM 10720 C3* U 0 555 231.102 66.231 79.407 1.00737.35 C ATOM 10721 O3* U 0 555 231.682 67.517 79.224 1.00737.35 O ATOM 10722 C2* U 0 555 232.132 65.122 79.226 1.00737.35 C ATOM 10723 O2* U 0 555 233.407 65.457 79.739 1.00737.35 O ATOM 10724 C1* U 0 555 231.520 63.995 80.064 1.00737.35 C ATOM 10725 N1 U 0 555 230.734 63.030 79.276 1.00737.35 N ATOM 10726 C2 U 0 555 231.404 61.954 78.712 1.00737.35 C ATOM 10727 O2 U 0 555 232.604 61.773 78.842 1.00737.35 O ATOM 10728 N3 U 0 555 230.614 61.094 77.990 1.00737.35 N ATOM 10729 C4 U 0 555 229.256 61.193 77.774 1.00737.35 C ATOM 10730 O4 U 0 555 228.686 60.332 77.102 1.00737.35 O ATOM 10731 C5 U 0 555 228.635 62.329 78.385 1.00737.35 C ATOM 10732 C6 U 0 555 229.374 63.187 79.095 1.00737.35 C ATOM 10733 P A 0 556 231.188 68.451 78.012 1.00737.35 P ATOM 10734 O1P A 0 556 229.880 69.034 78.410 1.00737.35 O ATOM 10735 O2P A 0 556 231.288 67.677 76.748 1.00737.35 O ATOM 10736 O5* A 0 556 232.258 69.630 77.969 1.00737.35 O ATOM 10737 C5* A 0 556 233.629 69.361 77.678 1.00737.35 C ATOM 10738 C4* A 0 556 234.411 70.652 77.602 1.00737.35 C ATOM 10739 O4* A 0 556 235.811 70.338 77.359 1.00737.35 O ATOM 10740 C3* A 0 556 234.028 71.583 76.461 1.00737.35 C ATOM 10741 O3* A 0 556 232.946 72.432 76.833 1.00737.35 O ATOM 10742 C2* A 0 556 235.310 72.378 76.248 1.00737.35 C ATOM 10743 O2* A 0 556 235.473 73.432 77.178 1.00737.35 O ATOM 10744 C1* A 0 556 236.375 71.307 76.489 1.00737.35 C ATOM 10745 N9 A 0 556 236.801 70.629 75.260 1.00737.35 N ATOM 10746 C8 A 0 556 236.301 69.473 74.713 1.00737.35 C ATOM 10747 N7 A 0 556 236.893 69.117 73.598 1.00737.35 N ATOM 10748 C5 A 0 556 237.845 70.104 73.396 1.00737.35 C ATOM 10749 C6 A 0 556 238.801 70.302 72.385 1.00737.35 C ATOM 10750 N6 A 0 556 238.959 69.482 71.344 1.00737.35 N ATOM 10751 N1 A 0 556 239.601 71.386 72.480 1.00737.35 N ATOM 10752 C2 A 0 556 239.443 72.211 73.523 1.00737.35 C ATOM 10753 N3 A 0 556 238.582 72.131 74.537 1.00737.35 N ATOM 10754 C4 A 0 556 237.802 71.042 74.413 1.00737.35 C ATOM 10755 P U 0 557 231.712 72.640 75.823 1.00737.35 P ATOM 10756 O1P U 0 557 230.970 73.845 76.273 1.00737.35 O ATOM 10757 O2P U 0 557 230.993 71.345 75.694 1.00737.35 O ATOM 10758 O5* U 0 557 232.396 72.968 74.421 1.00737.35 O ATOM 10759 C5* U 0 557 233.206 74.129 74.250 1.00737.35 C ATOM 10760 C4* U 0 557 233.750 74.183 72.840 1.00737.35 C ATOM 10761 O4* U 0 557 234.584 73.015 72.609 1.00737.35 O ATOM 10762 C3* U 0 557 232.705 74.124 71.736 1.00737.35 C ATOM 10763 O3* U 0 557 232.185 75.420 71.457 1.00737.35 O ATOM 10764 C2* U 0 557 233.501 73.566 70.563 1.00737.35 C ATOM 10765 O2* U 0 557 234.276 74.546 69.898 1.00737.35 O ATOM 10766 C1* U 0 557 234.424 72.569 71.271 1.00737.35 C ATOM 10767 N1 U 0 557 233.899 71.191 71.292 1.00737.35 N ATOM 10768 C2 U 0 557 234.217 70.360 70.227 1.00737.35 C ATOM 10769 O2 U 0 557 234.908 70.715 69.285 1.00737.35 O ATOM 10770 N3 U 0 557 233.697 69.091 70.309 1.00737.35 N ATOM 10771 C4 U 0 557 232.907 68.577 71.318 1.00737.35 C ATOM 10772 O4 U 0 557 232.515 67.412 71.244 1.00737.35 O ATOM 10773 C5 U 0 557 232.622 69.496 72.378 1.00737.35 C ATOM 10774 C6 U 0 557 233.114 70.736 72.331 1.00737.35 C ATOM 10775 P G 0 558 230.627 75.722 71.713 1.00737.35 P ATOM 10776 O1P G 0 558 230.422 75.699 73.185 1.00737.35 O ATOM 10777 O2P G 0 558 229.829 74.819 70.846 1.00737.35 O ATOM 10778 O5* G 0 558 230.424 77.215 71.194 1.00737.35 O ATOM 10779 C5* G 0 558 229.415 78.056 71.752 1.00737.35 C ATOM 10780 C4* G 0 558 228.807 78.933 70.682 1.00737.35 C ATOM 10781 O4* G 0 558 229.856 79.729 70.071 1.00737.35 O ATOM 10782 C3* G 0 558 228.155 78.204 69.518 1.00737.35 C ATOM 10783 O3* G 0 558 226.804 77.863 69.821 1.00737.35 O ATOM 10784 C2* G 0 558 228.231 79.240 68.402 1.00737.35 C ATOM 10785 O2* G 0 558 227.203 80.208 68.470 1.00737.35 O ATOM 10786 C1* G 0 558 229.582 79.900 68.688 1.00737.35 C ATOM 10787 N9 G 0 558 230.688 79.331 67.922 1.00737.35 N ATOM 10788 C8 G 0 558 231.433 78.218 68.240 1.00737.35 C ATOM 10789 N7 G 0 558 232.357 77.952 67.355 1.00737.35 N ATOM 10790 C5 G 0 558 232.216 78.947 66.398 1.00737.35 C ATOM 10791 C6 G 0 558 232.941 79.180 65.200 1.00737.35 C ATOM 10792 O6 G 0 558 233.882 78.532 64.734 1.00737.35 O ATOM 10793 N1 G 0 558 232.464 80.301 64.527 1.00737.35 N ATOM 10794 C2 G 0 558 231.428 81.096 64.947 1.00737.35 C ATOM 10795 N2 G 0 558 231.119 82.133 64.155 1.00737.35 N ATOM 10796 N3 G 0 558 230.743 80.892 66.061 1.00737.35 N ATOM 10797 C4 G 0 558 231.187 79.807 66.733 1.00737.35 C ATOM 10798 P C 0 559 226.093 76.638 69.057 1.00737.35 P ATOM 10799 O1P C 0 559 226.536 76.669 67.639 1.00737.35 O ATOM 10800 O2P C 0 559 224.641 76.688 69.371 1.00737.35 O ATOM 10801 O5* C 0 559 226.705 75.338 69.749 1.00737.35 O ATOM 10802 C5* C 0 559 226.716 74.085 69.070 1.00737.35 C ATOM 10803 C4* C 0 559 226.682 72.943 70.059 1.00737.35 C ATOM 10804 O4* C 0 559 227.818 73.062 70.960 1.00737.35 O ATOM 10805 C3* C 0 559 225.483 72.900 70.992 1.00737.35 C ATOM 10806 O3* C 0 559 224.365 72.265 70.377 1.00737.35 O ATOM 10807 C2* C 0 559 226.020 72.086 72.163 1.00737.35 C ATOM 10808 O2* C 0 559 226.021 70.694 71.923 1.00737.35 O ATOM 10809 C1* C 0 559 227.458 72.603 72.255 1.00737.35 C ATOM 10810 N1 C 0 559 227.607 73.713 73.216 1.00737.35 N ATOM 10811 C2 C 0 559 228.016 73.423 74.530 1.00737.35 C ATOM 10812 O2 C 0 559 228.251 72.245 74.846 1.00737.35 O ATOM 10813 N3 C 0 559 228.140 74.434 75.419 1.00737.35 N ATOM 10814 C4 C 0 559 227.879 75.689 75.046 1.00737.35 C ATOM 10815 N4 C 0 559 228.016 76.654 75.959 1.00737.35 N ATOM 10816 C5 C 0 559 227.466 76.011 73.721 1.00737.35 C ATOM 10817 C6 C 0 559 227.345 75.006 72.847 1.00737.35 C ATOM 10818 P G 0 560 222.891 72.486 70.982 1.00737.35 P ATOM 10819 O1P G 0 560 221.989 71.514 70.315 1.00737.35 O ATOM 10820 O2P G 0 560 222.575 73.935 70.932 1.00737.35 O ATOM 10821 O5* G 0 560 223.042 72.053 72.508 1.00737.35 O ATOM 10822 C5* G 0 560 221.959 72.184 73.424 1.00737.35 C ATOM 10823 C4* G 0 560 222.299 71.502 74.727 1.00737.35 C ATOM 10824 O4* G 0 560 223.500 72.098 75.287 1.00737.35 O ATOM 10825 C3* G 0 560 221.267 71.639 75.834 1.00737.35 C ATOM 10826 O3* G 0 560 220.242 70.661 75.690 1.00737.35 O ATOM 10827 C2* G 0 560 222.106 71.407 77.086 1.00737.35 C ATOM 10828 O2* G 0 560 222.344 70.038 77.346 1.00737.35 O ATOM 10829 C1* G 0 560 223.420 72.093 76.704 1.00737.35 C ATOM 10830 N9 G 0 560 223.523 73.470 77.184 1.00737.35 N ATOM 10831 C8 G 0 560 223.198 74.617 76.498 1.00737.35 C ATOM 10832 N7 G 0 560 223.398 75.704 77.193 1.00737.35 N ATOM 10833 C5 G 0 560 223.884 75.250 78.412 1.00737.35 C ATOM 10834 C6 G 0 560 224.280 75.971 79.571 1.00737.35 C ATOM 10835 O6 G 0 560 224.280 77.195 79.756 1.00737.35 O ATOM 10836 N1 G 0 560 224.708 75.118 80.582 1.00737.35 N ATOM 10837 C2 G 0 560 224.754 73.749 80.493 1.00737.35 C ATOM 10838 N2 G 0 560 225.199 73.102 81.581 1.00737.35 N ATOM 10839 N3 G 0 560 224.389 73.064 79.419 1.00737.35 N ATOM 10840 C4 G 0 560 223.967 73.873 78.425 1.00737.35 C ATOM 10841 P U 0 561 218.814 70.888 76.395 1.00737.35 P ATOM 10842 O1P U 0 561 217.924 69.784 75.954 1.00737.35 O ATOM 10843 O2P U 0 561 218.396 72.296 76.178 1.00737.35 O ATOM 10844 O5* U 0 561 219.118 70.693 77.947 1.00737.35 O ATOM 10845 C5* U 0 561 219.570 69.437 78.452 1.00737.35 C ATOM 10846 C4* U 0 561 219.991 69.575 79.898 1.00737.35 C ATOM 10847 O4* U 0 561 221.122 70.481 79.990 1.00737.35 O ATOM 10848 C3* U 0 561 218.948 70.177 80.828 1.00737.35 C ATOM 10849 O3* U 0 561 218.037 69.182 81.284 1.00737.35 O ATOM 10850 C2* U 0 561 219.808 70.735 81.956 1.00737.35 C ATOM 10851 O2* U 0 561 220.205 69.753 82.892 1.00737.35 O ATOM 10852 C1* U 0 561 221.029 71.243 81.184 1.00737.35 C ATOM 10853 N1 U 0 561 220.953 72.670 80.829 1.00737.35 N ATOM 10854 C2 U 0 561 221.422 73.595 81.751 1.00737.35 C ATOM 10855 O2 U 0 561 221.889 73.280 82.835 1.00737.35 O ATOM 10856 N3 U 0 561 221.324 74.908 81.357 1.00737.35 N ATOM 10857 C4 U 0 561 220.817 75.382 80.162 1.00737.35 C ATOM 10858 O4 U 0 561 220.804 76.596 79.950 1.00737.35 O ATOM 10859 C5 U 0 561 220.353 74.370 79.267 1.00737.35 C ATOM 10860 C6 U 0 561 220.433 73.083 79.618 1.00737.35 C ATOM 10861 P G 0 562 216.509 69.579 81.578 1.00737.35 P ATOM 10862 O1P G 0 562 215.790 68.331 81.942 1.00737.35 O ATOM 10863 O2P G 0 562 216.012 70.410 80.452 1.00737.35 O ATOM 10864 O5* G 0 562 216.600 70.505 82.873 1.00737.35 O ATOM 10865 C5* G 0 562 216.785 69.938 84.169 1.00737.35 C ATOM 10866 C4* G 0 562 216.733 71.015 85.227 1.00737.35 C ATOM 10867 O4* G 0 562 217.894 71.879 85.103 1.00737.35 O ATOM 10868 C3* G 0 562 215.549 71.965 85.141 1.00737.35 C ATOM 10869 O3* G 0 562 214.393 71.406 85.756 1.00737.35 O ATOM 10870 C2* G 0 562 216.067 73.189 85.885 1.00737.35 C ATOM 10871 O2* G 0 562 215.984 73.064 87.291 1.00737.35 O ATOM 10872 C1* G 0 562 217.535 73.209 85.451 1.00737.35 C ATOM 10873 N9 G 0 562 217.788 74.074 84.298 1.00737.35 N ATOM 10874 C8 G 0 562 217.911 73.694 82.983 1.00737.35 C ATOM 10875 N7 G 0 562 218.135 74.697 82.178 1.00737.35 N ATOM 10876 C5 G 0 562 218.163 75.807 83.011 1.00737.35 C ATOM 10877 C6 G 0 562 218.368 77.178 82.707 1.00737.35 C ATOM 10878 O6 G 0 562 218.574 77.702 81.606 1.00737.35 O ATOM 10879 N1 G 0 562 218.318 77.968 83.850 1.00737.35 N ATOM 10880 C2 G 0 562 218.099 77.503 85.124 1.00737.35 C ATOM 10881 N2 G 0 562 218.085 78.427 86.097 1.00737.35 N ATOM 10882 N3 G 0 562 217.906 76.228 85.423 1.00737.35 N ATOM 10883 C4 G 0 562 217.953 75.441 84.323 1.00737.35 C ATOM 10884 P U 0 563 212.933 71.768 85.185 1.00737.35 P ATOM 10885 O1P U 0 563 211.954 70.919 85.908 1.00737.35 O ATOM 10886 O2P U 0 563 212.981 71.724 83.701 1.00737.35 O ATOM 10887 O5* U 0 563 212.710 73.282 85.631 1.00737.35 O ATOM 10888 C5* U 0 563 212.774 73.661 87.005 1.00737.35 C ATOM 10889 C4* U 0 563 212.983 75.153 87.129 1.00737.35 C ATOM 10890 O4* U 0 563 214.243 75.513 86.507 1.00737.35 O ATOM 10891 C3* U 0 563 211.952 76.027 86.430 1.00737.35 C ATOM 10892 O3* U 0 563 210.807 76.226 87.255 1.00737.35 O ATOM 10893 C2* U 0 563 212.727 77.319 86.206 1.00737.35 C ATOM 10894 O2* U 0 563 212.786 78.141 87.356 1.00737.35 O ATOM 10895 C1* U 0 563 214.123 76.782 85.884 1.00737.35 C ATOM 10896 N1 U 0 563 214.377 76.626 84.441 1.00737.35 N ATOM 10897 C2 U 0 563 214.868 77.724 83.746 1.00737.35 C ATOM 10898 O2 U 0 563 215.099 78.800 84.274 1.00737.35 O ATOM 10899 N3 U 0 563 215.078 77.512 82.406 1.00737.35 N ATOM 10900 C4 U 0 563 214.857 76.348 81.701 1.00737.35 C ATOM 10901 O4 U 0 563 215.096 76.315 80.493 1.00737.35 O ATOM 10902 C5 U 0 563 214.351 75.264 82.484 1.00737.35 C ATOM 10903 C6 U 0 563 214.134 75.432 83.792 1.00737.35 C ATOM 10904 P U 0 564 209.396 76.607 86.587 1.00737.35 P ATOM 10905 O1P U 0 564 208.387 76.645 87.677 1.00737.35 O ATOM 10906 O2P U 0 564 209.173 75.722 85.413 1.00737.35 O ATOM 10907 O5* U 0 564 209.612 78.094 86.055 1.00737.35 O ATOM 10908 C5* U 0 564 209.889 79.161 86.959 1.00737.35 C ATOM 10909 C4* U 0 564 210.246 80.418 86.198 1.00737.35 C ATOM 10910 O4* U 0 564 211.456 80.185 85.427 1.00737.35 O ATOM 10911 C3* U 0 564 209.229 80.883 85.169 1.00737.35 C ATOM 10912 O3* U 0 564 208.205 81.661 85.783 1.00737.35 O ATOM 10913 C2* U 0 564 210.087 81.708 84.216 1.00737.35 C ATOM 10914 O2* U 0 564 210.334 83.018 84.683 1.00737.35 O ATOM 10915 C1* U 0 564 211.388 80.902 84.203 1.00737.35 C ATOM 10916 N1 U 0 564 211.478 79.943 83.089 1.00737.35 N ATOM 10917 C2 U 0 564 211.998 80.397 81.884 1.00737.35 C ATOM 10918 O2 U 0 564 212.379 81.545 81.710 1.00737.35 O ATOM 10919 N3 U 0 564 212.052 79.456 80.885 1.00737.35 N ATOM 10920 C4 U 0 564 211.651 78.138 80.963 1.00737.35 C ATOM 10921 O4 U 0 564 211.764 77.412 79.973 1.00737.35 O ATOM 10922 C5 U 0 564 211.129 77.746 82.235 1.00737.35 C ATOM 10923 C6 U 0 564 211.061 78.637 83.228 1.00737.35 C ATOM 10924 P A 0 565 206.779 81.821 85.057 1.00737.35 P ATOM 10925 O1P A 0 565 205.818 82.298 86.084 1.00737.35 O ATOM 10926 O2P A 0 565 206.483 80.579 84.299 1.00737.35 O ATOM 10927 O5* A 0 565 207.015 82.998 84.008 1.00737.35 O ATOM 10928 C5* A 0 565 207.138 84.353 84.442 1.00737.35 C ATOM 10929 C4* A 0 565 207.408 85.261 83.263 1.00737.35 C ATOM 10930 O4* A 0 565 208.701 84.937 82.688 1.00737.35 O ATOM 10931 C3* A 0 565 206.437 85.141 82.098 1.00737.35 C ATOM 10932 O3* A 0 565 205.271 85.931 82.319 1.00737.35 O ATOM 10933 C2* A 0 565 207.269 85.657 80.931 1.00737.35 C ATOM 10934 O2* A 0 565 207.315 87.069 80.861 1.00737.35 O ATOM 10935 C1* A 0 565 208.655 85.110 81.280 1.00737.35 C ATOM 10936 N9 A 0 565 208.953 83.825 80.645 1.00737.35 N ATOM 10937 C8 A 0 565 208.738 82.562 81.145 1.00737.35 C ATOM 10938 N7 A 0 565 209.110 81.602 80.335 1.00737.35 N ATOM 10939 C5 A 0 565 209.603 82.275 79.227 1.00737.35 C ATOM 10940 C6 A 0 565 210.154 81.823 78.014 1.00737.35 C ATOM 10941 N6 A 0 565 210.305 80.535 77.703 1.00737.35 N ATOM 10942 N1 A 0 565 210.550 82.753 77.118 1.00737.35 N ATOM 10943 C2 A 0 565 210.397 84.045 77.429 1.00737.35 C ATOM 10944 N3 A 0 565 209.896 84.596 78.532 1.00737.35 N ATOM 10945 C4 A 0 565 209.514 83.646 79.403 1.00737.35 C ATOM 10946 P U 0 566 203.892 85.533 81.599 1.00737.35 P ATOM 10947 O1P U 0 566 202.844 86.452 82.115 1.00737.35 O ATOM 10948 O2P U 0 566 203.698 84.065 81.717 1.00737.35 O ATOM 10949 O5* U 0 566 204.145 85.878 80.064 1.00737.35 O ATOM 10950 C5* U 0 566 204.336 87.227 79.640 1.00737.35 C ATOM 10951 C4* U 0 566 204.707 87.273 78.176 1.00737.35 C ATOM 10952 O4* U 0 566 205.982 86.607 77.974 1.00737.35 O ATOM 10953 C3* U 0 566 203.759 86.560 77.224 1.00737.35 C ATOM 10954 O3* U 0 566 202.651 87.387 76.886 1.00737.35 O ATOM 10955 C2* U 0 566 204.658 86.288 76.023 1.00737.35 C ATOM 10956 O2* U 0 566 204.807 87.407 75.175 1.00737.35 O ATOM 10957 C1* U 0 566 205.992 85.973 76.704 1.00737.35 C ATOM 10958 N1 U 0 566 206.239 84.532 76.894 1.00737.35 N ATOM 10959 C2 U 0 566 206.801 83.829 75.835 1.00737.35 C ATOM 10960 O2 U 0 566 207.095 84.348 74.770 1.00737.35 O ATOM 10961 N3 U 0 566 207.005 82.491 76.071 1.00737.35 N ATOM 10962 C4 U 0 566 206.712 81.797 77.227 1.00737.35 C ATOM 10963 O4 U 0 566 206.966 80.594 77.286 1.00737.35 O ATOM 10964 C5 U 0 566 206.136 82.588 78.270 1.00737.35 C ATOM 10965 C6 U 0 566 205.924 83.893 78.074 1.00737.35 C ATOM 10966 P G 0 567 201.293 86.723 76.337 1.00737.35 P ATOM 10967 O1P G 0 567 200.268 87.795 76.289 1.00737.35 O ATOM 10968 O2P G 0 567 201.023 85.485 77.114 1.00737.35 O ATOM 10969 O5* G 0 567 201.650 86.304 74.843 1.00737.35 O ATOM 10970 C5* G 0 567 201.932 87.291 73.852 1.00737.35 C ATOM 10971 C4* G 0 567 202.461 86.642 72.593 1.00737.35 C ATOM 10972 O4* G 0 567 203.712 85.968 72.888 1.00737.35 O ATOM 10973 C3* G 0 567 201.584 85.558 71.985 1.00737.35 C ATOM 10974 O3* G 0 567 200.575 86.124 71.154 1.00737.35 O ATOM 10975 C2* G 0 567 202.592 84.739 71.187 1.00737.35 C ATOM 10976 O2* G 0 567 202.907 85.312 69.933 1.00737.35 O ATOM 10977 C1* G 0 567 203.817 84.791 72.102 1.00737.35 C ATOM 10978 N9 G 0 567 203.926 83.641 72.998 1.00737.35 N ATOM 10979 C8 G 0 567 203.464 83.546 74.288 1.00737.35 C ATOM 10980 N7 G 0 567 203.712 82.388 74.838 1.00737.35 N ATOM 10981 C5 G 0 567 204.378 81.675 73.850 1.00737.35 C ATOM 10982 C6 G 0 567 204.899 80.354 73.865 1.00737.35 C ATOM 10983 O6 G 0 567 204.876 79.525 74.783 1.00737.35 O ATOM 10984 N1 G 0 567 205.495 80.028 72.652 1.00737.35 N ATOM 10985 C2 G 0 567 205.581 80.862 71.563 1.00737.35 C ATOM 10986 N2 G 0 567 206.194 80.362 70.481 1.00737.35 N ATOM 10987 N3 G 0 567 205.103 82.096 71.537 1.00737.35 N ATOM 10988 C4 G 0 567 204.517 82.434 72.708 1.00737.35 C ATOM 10989 P G 0 568 199.298 85.241 70.728 1.00737.35 P ATOM 10990 O1P G 0 568 198.273 86.177 70.200 1.00737.35 O ATOM 10991 O2P G 0 568 198.949 84.335 71.852 1.00737.35 O ATOM 10992 O5* G 0 568 199.834 84.351 69.521 1.00737.35 O ATOM 10993 C5* G 0 568 200.161 84.940 68.264 1.00737.35 C ATOM 10994 C4* G 0 568 200.694 83.894 67.312 1.00737.35 C ATOM 10995 O4* G 0 568 201.940 83.358 67.833 1.00737.35 O ATOM 10996 C3* G 0 568 199.815 82.670 67.112 1.00737.35 C ATOM 10997 O3* G 0 568 198.812 82.906 66.130 1.00737.35 O ATOM 10998 C2* G 0 568 200.821 81.622 66.656 1.00737.35 C ATOM 10999 O2* G 0 568 201.146 81.722 65.284 1.00737.35 O ATOM 11000 C1* G 0 568 202.042 81.981 67.506 1.00737.35 C ATOM 11001 N9 G 0 568 202.126 81.211 68.746 1.00737.35 N ATOM 11002 C8 G 0 568 201.653 81.575 69.987 1.00737.35 C ATOM 11003 N7 G 0 568 201.877 80.674 70.905 1.00737.35 N ATOM 11004 C5 G 0 568 202.538 79.653 70.233 1.00737.35 C ATOM 11005 C6 G 0 568 203.032 78.410 70.706 1.00737.35 C ATOM 11006 O6 G 0 568 202.985 77.949 71.852 1.00737.35 O ATOM 11007 N1 G 0 568 203.634 77.680 69.688 1.00737.35 N ATOM 11008 C2 G 0 568 203.745 78.086 68.382 1.00737.35 C ATOM 11009 N2 G 0 568 204.361 77.235 67.547 1.00737.35 N ATOM 11010 N3 G 0 568 203.289 79.242 67.926 1.00737.35 N ATOM 11011 C4 G 0 568 202.699 79.970 68.901 1.00737.35 C ATOM 11012 P C 0 569 197.388 82.167 66.256 1.00737.35 P ATOM 11013 O1P C 0 569 196.621 82.460 65.020 1.00737.35 O ATOM 11014 O2P C 0 569 196.804 82.504 67.580 1.00737.35 O ATOM 11015 O5* C 0 569 197.760 80.617 66.247 1.00737.35 O ATOM 11016 C5* C 0 569 196.819 79.638 66.678 1.00737.35 C ATOM 11017 C4* C 0 569 197.482 78.283 66.766 1.00737.35 C ATOM 11018 O4* C 0 569 198.668 78.375 67.600 1.00737.35 O ATOM 11019 C3* C 0 569 196.638 77.199 67.417 1.00737.35 C ATOM 11020 O3* C 0 569 195.776 76.588 66.459 1.00737.35 O ATOM 11021 C2* C 0 569 197.694 76.236 67.947 1.00737.35 C ATOM 11022 O2* C 0 569 198.199 75.363 66.953 1.00737.35 O ATOM 11023 C1* C 0 569 198.792 77.203 68.392 1.00737.35 C ATOM 11024 N1 C 0 569 198.715 77.589 69.817 1.00737.35 N ATOM 11025 C2 C 0 569 199.343 76.781 70.780 1.00737.35 C ATOM 11026 O2 C 0 569 199.942 75.753 70.417 1.00737.35 O ATOM 11027 N3 C 0 569 199.280 77.141 72.083 1.00737.35 N ATOM 11028 C4 C 0 569 198.628 78.250 72.441 1.00737.35 C ATOM 11029 N4 C 0 569 198.598 78.566 73.735 1.00737.35 N ATOM 11030 C5 C 0 569 197.977 79.082 71.487 1.00737.35 C ATOM 11031 C6 C 0 569 198.044 78.719 70.200 1.00737.35 C ATOM 11032 P G 0 570 194.298 76.129 66.891 1.00737.35 P ATOM 11033 O1P G 0 570 193.562 75.789 65.646 1.00737.35 O ATOM 11034 O2P G 0 570 193.736 77.143 67.820 1.00737.35 O ATOM 11035 O5* G 0 570 194.539 74.783 67.711 1.00737.35 O ATOM 11036 C5* G 0 570 194.942 73.584 67.053 1.00737.35 C ATOM 11037 C4* G 0 570 195.345 72.536 68.066 1.00737.35 C ATOM 11038 O4* G 0 570 196.513 73.002 68.795 1.00737.35 O ATOM 11039 C3* G 0 570 194.320 72.239 69.149 1.00737.35 C ATOM 11040 O3* G 0 570 193.360 71.286 68.701 1.00737.35 O ATOM 11041 C2* G 0 570 195.192 71.693 70.273 1.00737.35 C ATOM 11042 O2* G 0 570 195.550 70.337 70.091 1.00737.35 O ATOM 11043 C1* G 0 570 196.433 72.580 70.147 1.00737.35 C ATOM 11044 N9 G 0 570 196.377 73.766 70.998 1.00737.35 N ATOM 11045 C8 G 0 570 195.940 75.022 70.648 1.00737.35 C ATOM 11046 N7 G 0 570 196.005 75.878 71.630 1.00737.35 N ATOM 11047 C5 G 0 570 196.518 75.148 72.692 1.00737.35 C ATOM 11048 C6 G 0 570 196.811 75.544 74.022 1.00737.35 C ATOM 11049 O6 G 0 570 196.671 76.654 74.546 1.00737.35 O ATOM 11050 N1 G 0 570 197.317 74.484 74.770 1.00737.35 N ATOM 11051 C2 G 0 570 197.515 73.209 74.303 1.00737.35 C ATOM 11052 N2 G 0 570 198.012 72.327 75.181 1.00737.35 N ATOM 11053 N3 G 0 570 197.246 72.828 73.065 1.00737.35 N ATOM 11054 C4 G 0 570 196.755 73.841 72.319 1.00737.35 C ATOM 11055 P U 0 571 191.790 71.556 68.939 1.00737.35 P ATOM 11056 O1P U 0 571 191.056 70.806 67.888 1.00737.35 O ATOM 11057 O2P U 0 571 191.564 73.018 69.087 1.00737.35 O ATOM 11058 O5* U 0 571 191.471 70.861 70.339 1.00737.35 O ATOM 11059 C5* U 0 571 192.251 71.142 71.501 1.00737.35 C ATOM 11060 C4* U 0 571 191.447 70.871 72.751 1.00737.35 C ATOM 11061 O4* U 0 571 190.345 71.814 72.823 1.00737.35 O ATOM 11062 C3* U 0 571 190.785 69.505 72.824 1.00737.35 C ATOM 11063 O3* U 0 571 191.685 68.524 73.333 1.00737.35 O ATOM 11064 C2* U 0 571 189.624 69.756 73.779 1.00737.35 C ATOM 11065 O2* U 0 571 190.008 69.726 75.140 1.00737.35 O ATOM 11066 C1* U 0 571 189.210 71.178 73.390 1.00737.35 C ATOM 11067 N1 U 0 571 188.104 71.233 72.418 1.00737.35 N ATOM 11068 C2 U 0 571 186.808 71.253 72.913 1.00737.35 C ATOM 11069 O2 U 0 571 186.547 71.224 74.105 1.00737.35 O ATOM 11070 N3 U 0 571 185.824 71.307 71.958 1.00737.35 N ATOM 11071 C4 U 0 571 185.994 71.341 70.589 1.00737.35 C ATOM 11072 O4 U 0 571 185.003 71.387 69.857 1.00737.35 O ATOM 11073 C5 U 0 571 187.357 71.316 70.155 1.00737.35 C ATOM 11074 C6 U 0 571 188.340 71.264 71.060 1.00737.35 C ATOM 11075 P G 0 572 191.908 67.149 72.528 1.00737.35 P ATOM 11076 O1P G 0 572 192.884 67.432 71.445 1.00737.35 O ATOM 11077 O2P G 0 572 190.582 66.575 72.187 1.00737.35 O ATOM 11078 O5* G 0 572 192.616 66.185 73.582 1.00737.35 O ATOM 11079 C5* G 0 572 192.157 66.107 74.931 1.00737.35 C ATOM 11080 C4* G 0 572 192.900 65.018 75.673 1.00737.35 C ATOM 11081 O4* G 0 572 192.587 65.103 77.088 1.00737.35 O ATOM 11082 C3* G 0 572 192.544 63.589 75.296 1.00737.35 C ATOM 11083 O3* G 0 572 193.268 63.158 74.147 1.00737.35 O ATOM 11084 C2* G 0 572 192.948 62.815 76.547 1.00737.35 C ATOM 11085 O2* G 0 572 194.334 62.543 76.610 1.00737.35 O ATOM 11086 C1* G 0 572 192.558 63.800 77.652 1.00737.35 C ATOM 11087 N9 G 0 572 191.227 63.562 78.204 1.00737.35 N ATOM 11088 C8 G 0 572 190.032 64.058 77.737 1.00737.35 C ATOM 11089 N7 G 0 572 189.005 63.670 78.441 1.00737.35 N ATOM 11090 C5 G 0 572 189.553 62.867 79.433 1.00737.35 C ATOM 11091 C6 G 0 572 188.926 62.163 80.495 1.00737.35 C ATOM 11092 O6 G 0 572 187.723 62.110 80.781 1.00737.35 O ATOM 11093 N1 G 0 572 189.854 61.474 81.269 1.00737.35 N ATOM 11094 C2 G 0 572 191.208 61.460 81.050 1.00737.35 C ATOM 11095 N2 G 0 572 191.939 60.731 81.907 1.00737.35 N ATOM 11096 N3 G 0 572 191.806 62.112 80.066 1.00737.35 N ATOM 11097 C4 G 0 572 190.924 62.790 79.302 1.00737.35 C ATOM 11098 P C 0 573 192.739 61.896 73.300 1.00737.35 P ATOM 11099 O1P C 0 573 193.613 61.770 72.105 1.00737.35 O ATOM 11100 O2P C 0 573 191.271 62.025 73.122 1.00737.35 O ATOM 11101 O5* C 0 573 193.016 60.648 74.254 1.00737.35 O ATOM 11102 C5* C 0 573 194.348 60.208 74.518 1.00737.35 C ATOM 11103 C4* C 0 573 194.340 59.028 75.466 1.00737.35 C ATOM 11104 O4* C 0 573 193.827 59.445 76.758 1.00737.35 O ATOM 11105 C3* C 0 573 193.449 57.861 75.067 1.00737.35 C ATOM 11106 O3* C 0 573 194.112 57.002 74.143 1.00737.35 O ATOM 11107 C2* C 0 573 193.197 57.178 76.407 1.00737.35 C ATOM 11108 O2* C 0 573 194.265 56.345 76.814 1.00737.35 O ATOM 11109 C1* C 0 573 193.090 58.382 77.346 1.00737.35 C ATOM 11110 N1 C 0 573 191.700 58.833 77.566 1.00737.35 N ATOM 11111 C2 C 0 573 190.945 58.240 78.592 1.00737.35 C ATOM 11112 O2 C 0 573 191.458 57.350 79.291 1.00737.35 O ATOM 11113 N3 C 0 573 189.673 58.652 78.795 1.00737.35 N ATOM 11114 C4 C 0 573 189.149 59.610 78.027 1.00737.35 C ATOM 11115 N4 C 0 573 187.889 59.981 78.266 1.00737.35 N ATOM 11116 C5 C 0 573 189.889 60.228 76.982 1.00737.35 C ATOM 11117 C6 C 0 573 191.147 59.814 76.787 1.00737.35 C ATOM 11118 P C 0 574 193.251 56.174 73.066 1.00737.35 P ATOM 11119 O1P C 0 574 194.213 55.495 72.162 1.00737.35 O ATOM 11120 O2P C 0 574 192.219 57.076 72.493 1.00737.35 O ATOM 11121 O5* C 0 574 192.511 55.064 73.939 1.00737.35 O ATOM 11122 C5* C 0 574 193.240 53.993 74.537 1.00737.35 C ATOM 11123 C4* C 0 574 192.326 53.149 75.395 1.00737.35 C ATOM 11124 O4* C 0 574 191.828 53.950 76.501 1.00737.35 O ATOM 11125 C3* C 0 574 191.072 52.626 74.712 1.00737.35 C ATOM 11126 O3* C 0 574 191.340 51.426 73.996 1.00737.35 O ATOM 11127 C2* C 0 574 190.137 52.392 75.893 1.00737.35 C ATOM 11128 O2* C 0 574 190.385 51.171 76.566 1.00737.35 O ATOM 11129 C1* C 0 574 190.495 53.569 76.804 1.00737.35 C ATOM 11130 N1 C 0 574 189.614 54.741 76.626 1.00737.35 N ATOM 11131 C2 C 0 574 188.421 54.813 77.364 1.00737.35 C ATOM 11132 O2 C 0 574 188.136 53.894 78.150 1.00737.35 O ATOM 11133 N3 C 0 574 187.608 55.883 77.201 1.00737.35 N ATOM 11134 C4 C 0 574 187.943 56.853 76.348 1.00737.35 C ATOM 11135 N4 C 0 574 187.111 57.888 76.220 1.00737.35 N ATOM 11136 C5 C 0 574 189.147 56.806 75.588 1.00737.35 C ATOM 11137 C6 C 0 574 189.942 55.745 75.756 1.00737.35 C ATOM 11138 P U 0 575 190.494 51.078 72.674 1.00737.35 P ATOM 11139 O1P U 0 575 191.020 49.797 72.136 1.00737.35 O ATOM 11140 O2P U 0 575 190.467 52.282 71.803 1.00737.35 O ATOM 11141 O5* U 0 575 189.017 50.824 73.217 1.00737.35 O ATOM 11142 C5* U 0 575 188.730 49.719 74.073 1.00737.35 C ATOM 11143 C4* U 0 575 187.314 49.809 74.593 1.00737.35 C ATOM 11144 O4* U 0 575 187.168 51.014 75.389 1.00737.35 O ATOM 11145 C3* U 0 575 186.223 49.920 73.538 1.00737.35 C ATOM 11146 O3* U 0 575 185.852 48.630 73.054 1.00737.35 O ATOM 11147 C2* U 0 575 185.087 50.582 74.310 1.00737.35 C ATOM 11148 O2* U 0 575 184.322 49.672 75.077 1.00737.35 O ATOM 11149 C1* U 0 575 185.853 51.527 75.240 1.00737.35 C ATOM 11150 N1 U 0 575 185.933 52.913 74.747 1.00737.35 N ATOM 11151 C2 U 0 575 184.869 53.760 75.025 1.00737.35 C ATOM 11152 O2 U 0 575 183.881 53.406 75.652 1.00737.35 O ATOM 11153 N3 U 0 575 185.006 55.040 74.544 1.00737.35 N ATOM 11154 C4 U 0 575 186.068 55.551 73.829 1.00737.35 C ATOM 11155 O4 U 0 575 186.049 56.732 73.478 1.00737.35 O ATOM 11156 C5 U 0 575 187.123 54.616 73.577 1.00737.35 C ATOM 11157 C6 U 0 575 187.024 53.364 74.034 1.00737.35 C ATOM 11158 P A 0 576 185.138 48.487 71.620 1.00737.35 P ATOM 11159 O1P A 0 576 184.975 47.035 71.353 1.00737.35 O ATOM 11160 O2P A 0 576 185.869 49.333 70.641 1.00737.35 O ATOM 11161 O5* A 0 576 183.692 49.119 71.843 1.00737.35 O ATOM 11162 C5* A 0 576 182.758 48.519 72.739 1.00737.35 C ATOM 11163 C4* A 0 576 181.599 49.455 72.995 1.00737.35 C ATOM 11164 O4* A 0 576 182.094 50.667 73.624 1.00737.35 O ATOM 11165 C3* A 0 576 180.865 49.942 71.755 1.00737.35 C ATOM 11166 O3* A 0 576 179.862 49.011 71.358 1.00737.35 O ATOM 11167 C2* A 0 576 180.263 51.260 72.227 1.00737.35 C ATOM 11168 O2* A 0 576 179.070 51.091 72.969 1.00737.35 O ATOM 11169 C1* A 0 576 181.369 51.789 73.144 1.00737.35 C ATOM 11170 N9 A 0 576 182.308 52.690 72.472 1.00737.35 N ATOM 11171 C8 A 0 576 183.490 52.370 71.847 1.00737.35 C ATOM 11172 N7 A 0 576 184.119 53.403 71.340 1.00737.35 N ATOM 11173 C5 A 0 576 183.298 54.478 71.652 1.00737.35 C ATOM 11174 C6 A 0 576 183.404 55.854 71.394 1.00737.35 C ATOM 11175 N6 A 0 576 184.428 56.409 70.741 1.00737.35 N ATOM 11176 N1 A 0 576 182.411 56.656 71.835 1.00737.35 N ATOM 11177 C2 A 0 576 181.387 56.102 72.493 1.00737.35 C ATOM 11178 N3 A 0 576 181.173 54.824 72.800 1.00737.35 N ATOM 11179 C4 A 0 576 182.176 54.053 72.346 1.00737.35 C ATOM 11180 P U 0 577 179.449 48.896 69.809 1.00737.35 P ATOM 11181 O1P U 0 577 178.322 47.933 69.723 1.00737.35 O ATOM 11182 O2P U 0 577 180.681 48.658 69.013 1.00737.35 O ATOM 11183 O5* U 0 577 178.887 50.345 69.458 1.00737.35 O ATOM 11184 C5* U 0 577 178.887 50.829 68.117 1.00737.35 C ATOM 11185 C4* U 0 577 178.407 52.261 68.081 1.00737.35 C ATOM 11186 O4* U 0 577 179.203 53.055 68.998 1.00737.35 O ATOM 11187 C3* U 0 577 178.561 52.963 66.742 1.00737.35 C ATOM 11188 O3* U 0 577 177.456 52.680 65.888 1.00737.35 O ATOM 11189 C2* U 0 577 178.611 54.430 67.150 1.00737.35 C ATOM 11190 O2* U 0 577 177.332 54.986 67.387 1.00737.35 O ATOM 11191 C1* U 0 577 179.398 54.354 68.460 1.00737.35 C ATOM 11192 N1 U 0 577 180.843 54.585 68.299 1.00737.35 N ATOM 11193 C2 U 0 577 181.319 55.879 68.468 1.00737.35 C ATOM 11194 O2 U 0 577 180.598 56.825 68.749 1.00737.35 O ATOM 11195 N3 U 0 577 182.673 56.026 68.295 1.00737.35 N ATOM 11196 C4 U 0 577 183.584 55.038 67.979 1.00737.35 C ATOM 11197 O4 U 0 577 184.775 55.329 67.859 1.00737.35 O ATOM 11198 C5 U 0 577 183.021 53.734 67.823 1.00737.35 C ATOM 11199 C6 U 0 577 181.705 53.554 67.984 1.00737.35 C ATOM 11200 P U 0 578 177.714 52.330 64.341 1.00737.35 P ATOM 11201 O1P U 0 578 176.391 52.103 63.706 1.00737.35 O ATOM 11202 O2P U 0 578 178.753 51.268 64.266 1.00737.35 O ATOM 11203 O5* U 0 578 178.320 53.675 63.740 1.00737.35 O ATOM 11204 C5* U 0 578 179.065 53.668 62.523 1.00737.35 C ATOM 11205 C4* U 0 578 179.275 55.081 62.031 1.00737.35 C ATOM 11206 O4* U 0 578 177.993 55.659 61.672 1.00737.35 O ATOM 11207 C3* U 0 578 179.857 56.048 63.048 1.00737.35 C ATOM 11208 O3* U 0 578 181.279 55.958 63.082 1.00737.35 O ATOM 11209 C2* U 0 578 179.377 57.397 62.527 1.00737.35 C ATOM 11210 O2* U 0 578 180.180 57.909 61.482 1.00737.35 O ATOM 11211 C1* U 0 578 177.987 57.042 61.989 1.00737.35 C ATOM 11212 N1 U 0 578 176.894 57.305 62.940 1.00737.35 N ATOM 11213 C2 U 0 578 176.316 58.567 62.935 1.00737.35 C ATOM 11214 O2 U 0 578 176.677 59.462 62.184 1.00737.35 O ATOM 11215 N3 U 0 578 175.300 58.743 63.840 1.00737.35 N ATOM 11216 C4 U 0 578 174.810 57.812 64.734 1.00737.35 C ATOM 11217 O4 U 0 578 173.884 58.124 65.484 1.00737.35 O ATOM 11218 C5 U 0 578 175.456 56.538 64.683 1.00737.35 C ATOM 11219 C6 U 0 578 176.449 56.332 63.812 1.00737.35 C ATOM 11220 P G 0 579 182.061 56.198 64.466 1.00737.35 P ATOM 11221 O1P G 0 579 183.497 55.910 64.228 1.00737.35 O ATOM 11222 O2P G 0 579 181.337 55.470 65.538 1.00737.35 O ATOM 11223 O5* G 0 579 181.904 57.761 64.729 1.00737.35 O ATOM 11224 C5* G 0 579 182.383 58.714 63.780 1.00737.35 C ATOM 11225 C4* G 0 579 181.799 60.077 64.066 1.00737.35 C ATOM 11226 O4* G 0 579 180.352 60.006 63.958 1.00737.35 O ATOM 11227 C3* G 0 579 182.047 60.617 65.468 1.00737.35 C ATOM 11228 O3* G 0 579 183.313 61.265 65.540 1.00737.35 O ATOM 11229 C2* G 0 579 180.887 61.590 65.646 1.00737.35 C ATOM 11230 O2* G 0 579 181.105 62.837 65.019 1.00737.35 O ATOM 11231 C1* G 0 579 179.755 60.842 64.933 1.00737.35 C ATOM 11232 N9 G 0 579 178.951 60.007 65.823 1.00737.35 N ATOM 11233 C8 G 0 579 179.317 58.809 66.392 1.00737.35 C ATOM 11234 N7 G 0 579 178.382 58.293 67.147 1.00737.35 N ATOM 11235 C5 G 0 579 177.338 59.205 67.071 1.00737.35 C ATOM 11236 C6 G 0 579 176.057 59.186 67.684 1.00737.35 C ATOM 11237 O6 G 0 579 175.574 58.331 68.436 1.00737.35 O ATOM 11238 N1 G 0 579 175.312 60.308 67.338 1.00737.35 N ATOM 11239 C2 G 0 579 175.738 61.319 66.515 1.00737.35 C ATOM 11240 N2 G 0 579 174.868 62.318 66.305 1.00737.35 N ATOM 11241 N3 G 0 579 176.929 61.350 65.940 1.00737.35 N ATOM 11242 C4 G 0 579 177.673 60.269 66.260 1.00737.35 C ATOM 11243 P A 0 580 184.290 60.975 66.785 1.00737.35 P ATOM 11244 O1P A 0 580 185.642 61.459 66.401 1.00737.35 O ATOM 11245 O2P A 0 580 184.113 59.564 67.214 1.00737.35 O ATOM 11246 O5* A 0 580 183.735 61.920 67.943 1.00737.35 O ATOM 11247 C5* A 0 580 183.774 63.339 67.811 1.00737.35 C ATOM 11248 C4* A 0 580 183.655 63.996 69.165 1.00737.35 C ATOM 11249 O4* A 0 580 182.366 63.676 69.748 1.00737.35 O ATOM 11250 C3* A 0 580 184.663 63.548 70.213 1.00737.35 C ATOM 11251 O3* A 0 580 185.888 64.262 70.073 1.00737.35 O ATOM 11252 C2* A 0 580 183.946 63.887 71.516 1.00737.35 C ATOM 11253 O2* A 0 580 184.058 65.251 71.874 1.00737.35 O ATOM 11254 C1* A 0 580 182.491 63.568 71.157 1.00737.35 C ATOM 11255 N9 A 0 580 182.052 62.228 71.554 1.00737.35 N ATOM 11256 C8 A 0 580 182.646 61.019 71.270 1.00737.35 C ATOM 11257 N7 A 0 580 182.003 59.987 71.760 1.00737.35 N ATOM 11258 C5 A 0 580 180.915 60.550 72.411 1.00737.35 C ATOM 11259 C6 A 0 580 179.847 59.984 73.132 1.00737.35 C ATOM 11260 N6 A 0 580 179.694 58.671 73.319 1.00737.35 N ATOM 11261 N1 A 0 580 178.930 60.825 73.657 1.00737.35 N ATOM 11262 C2 A 0 580 179.082 62.141 73.466 1.00737.35 C ATOM 11263 N3 A 0 580 180.039 62.792 72.808 1.00737.35 N ATOM 11264 C4 A 0 580 180.936 61.928 72.298 1.00737.35 C ATOM 11265 P A 0 581 187.260 63.610 70.602 1.00737.35 P ATOM 11266 O1P A 0 581 188.369 64.468 70.113 1.00737.35 O ATOM 11267 O2P A 0 581 187.256 62.160 70.276 1.00737.35 O ATOM 11268 O5* A 0 581 187.172 63.769 72.185 1.00737.35 O ATOM 11269 C5* A 0 581 188.297 63.487 73.015 1.00737.35 C ATOM 11270 C4* A 0 581 188.364 64.473 74.159 1.00737.35 C ATOM 11271 O4* A 0 581 188.509 65.814 73.619 1.00737.35 O ATOM 11272 C3* A 0 581 187.123 64.540 75.039 1.00737.35 C ATOM 11273 O3* A 0 581 187.188 63.563 76.073 1.00737.35 O ATOM 11274 C2* A 0 581 187.192 65.960 75.590 1.00737.35 C ATOM 11275 O2* A 0 581 188.076 66.098 76.682 1.00737.35 O ATOM 11276 C1* A 0 581 187.738 66.728 74.384 1.00737.35 C ATOM 11277 N9 A 0 581 186.704 67.295 73.512 1.00737.35 N ATOM 11278 C8 A 0 581 186.621 67.201 72.143 1.00737.35 C ATOM 11279 N7 A 0 581 185.580 67.809 71.633 1.00737.35 N ATOM 11280 C5 A 0 581 184.929 68.341 72.737 1.00737.35 C ATOM 11281 C6 A 0 581 183.753 69.100 72.867 1.00737.35 C ATOM 11282 N6 A 0 581 182.994 69.465 71.832 1.00737.35 N ATOM 11283 N1 A 0 581 183.380 69.472 74.109 1.00737.35 N ATOM 11284 C2 A 0 581 184.142 69.104 75.145 1.00737.35 C ATOM 11285 N3 A 0 581 185.267 68.393 75.152 1.00737.35 N ATOM 11286 C4 A 0 581 185.612 68.038 73.901 1.00737.35 C ATOM 11287 P G 0 582 185.838 63.063 76.788 1.00737.35 P ATOM 11288 O1P G 0 582 186.235 62.152 77.891 1.00737.35 O ATOM 11289 O2P G 0 582 184.896 62.582 75.743 1.00737.35 O ATOM 11290 O5* G 0 582 185.235 64.385 77.440 1.00737.35 O ATOM 11291 C5* G 0 582 184.094 64.330 78.292 1.00737.35 C ATOM 11292 C4* G 0 582 183.579 65.724 78.556 1.00737.35 C ATOM 11293 O4* G 0 582 183.288 66.369 77.290 1.00737.35 O ATOM 11294 C3* G 0 582 182.272 65.801 79.330 1.00737.35 C ATOM 11295 O3* G 0 582 182.504 65.755 80.735 1.00737.35 O ATOM 11296 C2* G 0 582 181.719 67.152 78.896 1.00737.35 C ATOM 11297 O2* G 0 582 182.296 68.240 79.587 1.00737.35 O ATOM 11298 C1* G 0 582 182.141 67.194 77.424 1.00737.35 C ATOM 11299 N9 G 0 582 181.113 66.710 76.507 1.00737.35 N ATOM 11300 C8 G 0 582 180.986 65.444 75.984 1.00737.35 C ATOM 11301 N7 G 0 582 179.957 65.318 75.190 1.00737.35 N ATOM 11302 C5 G 0 582 179.369 66.576 75.186 1.00737.35 C ATOM 11303 C6 G 0 582 178.217 67.050 74.503 1.00737.35 C ATOM 11304 O6 G 0 582 177.463 66.432 73.743 1.00737.35 O ATOM 11305 N1 G 0 582 177.975 68.390 74.783 1.00737.35 N ATOM 11306 C2 G 0 582 178.739 69.177 75.609 1.00737.35 C ATOM 11307 N2 G 0 582 178.339 70.448 75.753 1.00737.35 N ATOM 11308 N3 G 0 582 179.814 68.748 76.248 1.00737.35 N ATOM 11309 C4 G 0 582 180.069 67.447 75.993 1.00737.35 C ATOM 11310 P C 0 583 181.478 64.963 81.687 1.00737.35 P ATOM 11311 O1P C 0 583 181.844 65.275 83.091 1.00737.35 O ATOM 11312 O2P C 0 583 181.431 63.545 81.239 1.00737.35 O ATOM 11313 O5* C 0 583 180.072 65.648 81.384 1.00737.35 O ATOM 11314 C5* C 0 583 178.874 64.878 81.336 1.00737.35 C ATOM 11315 C4* C 0 583 177.753 65.683 80.719 1.00737.35 C ATOM 11316 O4* C 0 583 177.375 66.770 81.602 1.00737.35 O ATOM 11317 C3* C 0 583 178.072 66.364 79.398 1.00737.35 C ATOM 11318 O3* C 0 583 178.076 65.436 78.307 1.00737.35 O ATOM 11319 C2* C 0 583 177.073 67.519 79.353 1.00737.35 C ATOM 11320 O2* C 0 583 175.784 67.196 78.874 1.00737.35 O ATOM 11321 C1* C 0 583 176.991 67.903 80.834 1.00737.35 C ATOM 11322 N1 C 0 583 177.854 69.043 81.200 1.00737.35 N ATOM 11323 C2 C 0 583 177.364 70.349 81.032 1.00737.35 C ATOM 11324 O2 C 0 583 176.218 70.512 80.575 1.00737.35 O ATOM 11325 N3 C 0 583 178.146 71.399 81.370 1.00737.35 N ATOM 11326 C4 C 0 583 179.371 71.189 81.856 1.00737.35 C ATOM 11327 N4 C 0 583 180.107 72.254 82.179 1.00737.35 N ATOM 11328 C5 C 0 583 179.899 69.875 82.035 1.00737.35 C ATOM 11329 C6 C 0 583 179.113 68.845 81.699 1.00737.35 C ATOM 11330 P A 0 584 176.703 64.783 77.771 1.00737.35 P ATOM 11331 O1P A 0 584 176.350 65.459 76.497 1.00737.35 O ATOM 11332 O2P A 0 584 175.704 64.719 78.869 1.00737.35 O ATOM 11333 O5* A 0 584 177.127 63.284 77.439 1.00737.35 O ATOM 11334 C5* A 0 584 177.851 62.512 78.393 1.00737.35 C ATOM 11335 C4* A 0 584 177.658 61.039 78.128 1.00737.35 C ATOM 11336 O4* A 0 584 178.163 60.716 76.805 1.00737.35 O ATOM 11337 C3* A 0 584 178.430 60.122 79.061 1.00737.35 C ATOM 11338 O3* A 0 584 177.706 59.909 80.268 1.00737.35 O ATOM 11339 C2* A 0 584 178.564 58.851 78.231 1.00737.35 C ATOM 11340 O2* A 0 584 177.401 58.047 78.256 1.00737.35 O ATOM 11341 C1* A 0 584 178.765 59.430 76.826 1.00737.35 C ATOM 11342 N9 A 0 584 180.172 59.565 76.441 1.00737.35 N ATOM 11343 C8 A 0 584 180.907 60.717 76.294 1.00737.35 C ATOM 11344 N7 A 0 584 182.146 60.510 75.923 1.00737.35 N ATOM 11345 C5 A 0 584 182.239 59.129 75.821 1.00737.35 C ATOM 11346 C6 A 0 584 183.299 58.275 75.464 1.00737.35 C ATOM 11347 N6 A 0 584 184.516 58.707 75.125 1.00737.35 N ATOM 11348 N1 A 0 584 183.059 56.946 75.468 1.00737.35 N ATOM 11349 C2 A 0 584 181.837 56.514 75.803 1.00737.35 C ATOM 11350 N3 A 0 584 180.762 57.217 76.150 1.00737.35 N ATOM 11351 C4 A 0 584 181.032 58.534 76.140 1.00737.35 C ATOM 11352 P U 0 585 178.498 59.631 81.637 1.00737.35 P ATOM 11353 O1P U 0 585 177.509 59.697 82.742 1.00737.35 O ATOM 11354 O2P U 0 585 179.698 60.505 81.678 1.00737.35 O ATOM 11355 O5* U 0 585 178.985 58.121 81.493 1.00737.35 O ATOM 11356 C5* U 0 585 178.046 57.048 81.445 1.00737.35 C ATOM 11357 C4* U 0 585 178.759 55.740 81.200 1.00737.35 C ATOM 11358 O4* U 0 585 179.360 55.756 79.876 1.00737.35 O ATOM 11359 C3* U 0 585 179.921 55.446 82.134 1.00737.35 C ATOM 11360 O3* U 0 585 179.477 54.877 83.361 1.00737.35 O ATOM 11361 C2* U 0 585 180.758 54.474 81.310 1.00737.35 C ATOM 11362 O2* U 0 585 180.262 53.151 81.338 1.00737.35 O ATOM 11363 C1* U 0 585 180.600 55.063 79.906 1.00737.35 C ATOM 11364 N1 U 0 585 181.675 56.004 79.549 1.00737.35 N ATOM 11365 C2 U 0 585 182.835 55.484 78.992 1.00737.35 C ATOM 11366 O2 U 0 585 182.998 54.294 78.779 1.00737.35 O ATOM 11367 N3 U 0 585 183.799 56.415 78.691 1.00737.35 N ATOM 11368 C4 U 0 585 183.729 57.781 78.881 1.00737.35 C ATOM 11369 O4 U 0 585 184.686 58.487 78.562 1.00737.35 O ATOM 11370 C5 U 0 585 182.502 58.240 79.457 1.00737.35 C ATOM 11371 C6 U 0 585 181.542 57.363 79.764 1.00737.35 C ATOM 11372 P G 0 586 180.256 55.227 84.721 1.00737.35 P ATOM 11373 O1P G 0 586 179.681 54.386 85.802 1.00737.35 O ATOM 11374 O2P G 0 586 180.285 56.703 84.881 1.00737.35 O ATOM 11375 O5* G 0 586 181.743 54.728 84.443 1.00737.35 O ATOM 11376 C5* G 0 586 182.054 53.336 84.407 1.00737.35 C ATOM 11377 C4* G 0 586 183.550 53.133 84.379 1.00737.35 C ATOM 11378 O4* G 0 586 184.081 53.548 83.096 1.00737.35 O ATOM 11379 C3* G 0 586 184.338 53.946 85.393 1.00737.35 C ATOM 11380 O3* G 0 586 184.339 53.309 86.666 1.00737.35 O ATOM 11381 C2* G 0 586 185.725 53.987 84.763 1.00737.35 C ATOM 11382 O2* G 0 586 186.482 52.816 85.006 1.00737.35 O ATOM 11383 C1* G 0 586 185.384 54.083 83.272 1.00737.35 C ATOM 11384 N9 G 0 586 185.403 55.446 82.751 1.00737.35 N ATOM 11385 C8 G 0 586 184.350 56.327 82.675 1.00737.35 C ATOM 11386 N7 G 0 586 184.677 57.476 82.153 1.00737.35 N ATOM 11387 C5 G 0 586 186.032 57.351 81.867 1.00737.35 C ATOM 11388 C6 G 0 586 186.939 58.276 81.289 1.00737.35 C ATOM 11389 O6 G 0 586 186.720 59.430 80.898 1.00737.35 O ATOM 11390 N1 G 0 586 188.217 57.738 81.181 1.00737.35 N ATOM 11391 C2 G 0 586 188.581 56.475 81.576 1.00737.35 C ATOM 11392 N2 G 0 586 189.866 56.141 81.388 1.00737.35 N ATOM 11393 N3 G 0 586 187.745 55.603 82.117 1.00737.35 N ATOM 11394 C4 G 0 586 186.494 56.105 82.232 1.00737.35 C ATOM 11395 P A 0 587 184.325 54.199 88.005 1.00737.35 P ATOM 11396 O1P A 0 587 183.386 53.547 88.952 1.00737.35 O ATOM 11397 O2P A 0 587 184.128 55.626 87.646 1.00737.35 O ATOM 11398 O5* A 0 587 185.803 54.037 88.581 1.00737.35 O ATOM 11399 C5* A 0 587 186.341 52.746 88.862 1.00737.35 C ATOM 11400 C4* A 0 587 187.851 52.803 88.869 1.00737.35 C ATOM 11401 O4* A 0 587 188.321 53.181 87.549 1.00737.35 O ATOM 11402 C3* A 0 587 188.460 53.837 89.802 1.00737.35 C ATOM 11403 O3* A 0 587 188.590 53.306 91.117 1.00737.35 O ATOM 11404 C2* A 0 587 189.815 54.100 89.154 1.00737.35 C ATOM 11405 O2* A 0 587 190.783 53.121 89.476 1.00737.35 O ATOM 11406 C1* A 0 587 189.463 54.012 87.667 1.00737.35 C ATOM 11407 N9 A 0 587 189.155 55.305 87.053 1.00737.35 N ATOM 11408 C8 A 0 587 188.021 56.068 87.207 1.00737.35 C ATOM 11409 N7 A 0 587 188.037 57.182 86.516 1.00737.35 N ATOM 11410 C5 A 0 587 189.261 57.154 85.864 1.00737.35 C ATOM 11411 C6 A 0 587 189.878 58.050 84.975 1.00737.35 C ATOM 11412 N6 A 0 587 189.324 59.198 84.575 1.00737.35 N ATOM 11413 N1 A 0 587 191.102 57.724 84.504 1.00737.35 N ATOM 11414 C2 A 0 587 191.656 56.574 84.905 1.00737.35 C ATOM 11415 N3 A 0 587 191.176 55.651 85.736 1.00737.35 N ATOM 11416 C4 A 0 587 189.961 56.005 86.185 1.00737.35 C ATOM 11417 P G 0 588 188.161 54.194 92.387 1.00737.35 P ATOM 11418 O1P G 0 588 188.279 53.323 93.581 1.00737.35 O ATOM 11419 O2P G 0 588 186.864 54.858 92.088 1.00737.35 O ATOM 11420 O5* G 0 588 189.297 55.309 92.485 1.00737.35 O ATOM 11421 C5* G 0 588 189.230 56.510 91.717 1.00737.35 C ATOM 11422 C4* G 0 588 190.375 57.423 92.084 1.00737.35 C ATOM 11423 O4* G 0 588 190.291 57.728 93.501 1.00737.35 O ATOM 11424 C3* G 0 588 191.763 56.828 91.895 1.00737.35 C ATOM 11425 O3* G 0 588 192.228 57.044 90.567 1.00737.35 O ATOM 11426 C2* G 0 588 192.591 57.586 92.926 1.00737.35 C ATOM 11427 O2* G 0 588 193.000 58.863 92.483 1.00737.35 O ATOM 11428 C1* G 0 588 191.588 57.730 94.073 1.00737.35 C ATOM 11429 N9 G 0 588 191.659 56.649 95.054 1.00737.35 N ATOM 11430 C8 G 0 588 190.787 55.593 95.197 1.00737.35 C ATOM 11431 N7 G 0 588 191.110 54.789 96.171 1.00737.35 N ATOM 11432 C5 G 0 588 192.265 55.342 96.706 1.00737.35 C ATOM 11433 C6 G 0 588 193.075 54.907 97.787 1.00737.35 C ATOM 11434 O6 G 0 588 192.924 53.916 98.515 1.00737.35 O ATOM 11435 N1 G 0 588 194.154 55.761 97.990 1.00737.35 N ATOM 11436 C2 G 0 588 194.420 56.888 97.252 1.00737.35 C ATOM 11437 N2 G 0 588 195.513 57.583 97.603 1.00737.35 N ATOM 11438 N3 G 0 588 193.673 57.304 96.244 1.00737.35 N ATOM 11439 C4 G 0 588 192.619 56.489 96.027 1.00737.35 C ATOM 11440 P C 0 589 193.394 56.112 89.965 1.00737.35 P ATOM 11441 O1P C 0 589 193.597 56.522 88.550 1.00737.35 O ATOM 11442 O2P C 0 589 193.076 54.696 90.279 1.00737.35 O ATOM 11443 O5* C 0 589 194.689 56.529 90.797 1.00737.35 O ATOM 11444 C5* C 0 589 195.318 57.794 90.596 1.00737.35 C ATOM 11445 C4* C 0 589 196.577 57.890 91.429 1.00737.35 C ATOM 11446 O4* C 0 589 196.228 57.865 92.837 1.00737.35 O ATOM 11447 C3* C 0 589 197.563 56.748 91.253 1.00737.35 C ATOM 11448 O3* C 0 589 198.422 56.985 90.139 1.00737.35 O ATOM 11449 C2* C 0 589 198.317 56.757 92.576 1.00737.35 C ATOM 11450 O2* C 0 589 199.337 57.738 92.629 1.00737.35 O ATOM 11451 C1* C 0 589 197.199 57.120 93.558 1.00737.35 C ATOM 11452 N1 C 0 589 196.534 55.950 94.169 1.00737.35 N ATOM 11453 C2 C 0 589 197.080 55.383 95.334 1.00737.35 C ATOM 11454 O2 C 0 589 198.112 55.871 95.822 1.00737.35 O ATOM 11455 N3 C 0 589 196.465 54.317 95.897 1.00737.35 N ATOM 11456 C4 C 0 589 195.356 53.813 95.345 1.00737.35 C ATOM 11457 N4 C 0 589 194.785 52.764 95.936 1.00737.35 N ATOM 11458 C5 C 0 589 194.787 54.367 94.163 1.00737.35 C ATOM 11459 C6 C 0 589 195.401 55.420 93.612 1.00737.35 C ATOM 11460 P C 0 590 199.046 55.743 89.333 1.00737.35 P ATOM 11461 O1P C 0 590 199.740 56.296 88.140 1.00737.35 O ATOM 11462 O2P C 0 590 197.991 54.713 89.153 1.00737.35 O ATOM 11463 O5* C 0 590 200.148 55.158 90.326 1.00737.35 O ATOM 11464 C5* C 0 590 201.335 55.895 90.619 1.00737.35 C ATOM 11465 C4* C 0 590 202.125 55.205 91.709 1.00737.35 C ATOM 11466 O4* C 0 590 201.353 55.214 92.939 1.00737.35 O ATOM 11467 C3* C 0 590 202.439 53.737 91.469 1.00737.35 C ATOM 11468 O3* C 0 590 203.607 53.587 90.668 1.00737.35 O ATOM 11469 C2* C 0 590 202.648 53.219 92.887 1.00737.35 C ATOM 11470 O2* C 0 590 203.934 53.506 93.395 1.00737.35 O ATOM 11471 C1* C 0 590 201.591 54.014 93.660 1.00737.35 C ATOM 11472 N1 C 0 590 200.309 53.294 93.820 1.00737.35 N ATOM 11473 C2 C 0 590 200.131 52.461 94.938 1.00737.35 C ATOM 11474 O2 C 0 590 201.051 52.352 95.767 1.00737.35 O ATOM 11475 N3 C 0 590 198.960 51.802 95.088 1.00737.35 N ATOM 11476 C4 C 0 590 197.991 51.945 94.181 1.00737.35 C ATOM 11477 N4 C 0 590 196.853 51.273 94.369 1.00737.35 N ATOM 11478 C5 C 0 590 198.145 52.780 93.038 1.00737.35 C ATOM 11479 C6 C 0 590 199.308 53.431 92.898 1.00737.35 C ATOM 11480 P G 0 591 203.775 52.285 89.739 1.00737.35 P ATOM 11481 O1P G 0 591 205.001 52.485 88.923 1.00737.35 O ATOM 11482 O2P G 0 591 202.482 52.015 89.063 1.00737.35 O ATOM 11483 O5* G 0 591 204.049 51.106 90.777 1.00737.35 O ATOM 11484 C5* G 0 591 205.321 50.966 91.409 1.00737.35 C ATOM 11485 C4* G 0 591 205.288 49.838 92.415 1.00737.35 C ATOM 11486 O4* G 0 591 204.370 50.173 93.490 1.00737.35 O ATOM 11487 C3* G 0 591 204.788 48.498 91.901 1.00737.35 C ATOM 11488 O3* G 0 591 205.825 47.771 91.250 1.00737.35 O ATOM 11489 C2* G 0 591 204.329 47.813 93.183 1.00737.35 C ATOM 11490 O2* G 0 591 205.390 47.235 93.917 1.00737.35 O ATOM 11491 C1* G 0 591 203.739 48.993 93.962 1.00737.35 C ATOM 11492 N9 G 0 591 202.296 49.135 93.793 1.00737.35 N ATOM 11493 C8 G 0 591 201.636 49.931 92.886 1.00737.35 C ATOM 11494 N7 G 0 591 200.337 49.840 92.973 1.00737.35 N ATOM 11495 C5 G 0 591 200.124 48.927 93.999 1.00737.35 C ATOM 11496 C6 G 0 591 198.915 48.425 94.546 1.00737.35 C ATOM 11497 O6 G 0 591 197.751 48.694 94.223 1.00737.35 O ATOM 11498 N1 G 0 591 199.156 47.518 95.572 1.00737.35 N ATOM 11499 C2 G 0 591 200.397 47.140 96.015 1.00737.35 C ATOM 11500 N2 G 0 591 200.421 46.249 97.018 1.00737.35 N ATOM 11501 N3 G 0 591 201.532 47.599 95.514 1.00737.35 N ATOM 11502 C4 G 0 591 201.322 48.483 94.516 1.00737.35 C ATOM 11503 P G 0 592 205.454 46.695 90.116 1.00737.35 P ATOM 11504 O1P G 0 592 206.731 46.207 89.534 1.00737.35 O ATOM 11505 O2P G 0 592 204.422 47.286 89.225 1.00737.35 O ATOM 11506 O5* G 0 592 204.784 45.496 90.924 1.00737.35 O ATOM 11507 C5* G 0 592 205.562 44.664 91.782 1.00737.35 C ATOM 11508 C4* G 0 592 204.673 43.693 92.526 1.00737.35 C ATOM 11509 O4* G 0 592 203.770 44.432 93.391 1.00737.35 O ATOM 11510 C3* G 0 592 203.752 42.841 91.665 1.00737.35 C ATOM 11511 O3* G 0 592 204.429 41.684 91.183 1.00737.35 O ATOM 11512 C2* G 0 592 202.638 42.477 92.640 1.00737.35 C ATOM 11513 O2* G 0 592 202.969 41.387 93.478 1.00737.35 O ATOM 11514 C1* G 0 592 202.526 43.756 93.470 1.00737.35 C ATOM 11515 N9 G 0 592 201.471 44.661 93.016 1.00737.35 N ATOM 11516 C8 G 0 592 201.619 45.798 92.257 1.00737.35 C ATOM 11517 N7 G 0 592 200.488 46.401 92.012 1.00737.35 N ATOM 11518 C5 G 0 592 199.535 45.616 92.646 1.00737.35 C ATOM 11519 C6 G 0 592 198.126 45.766 92.726 1.00737.35 C ATOM 11520 O6 G 0 592 197.417 46.657 92.243 1.00737.35 O ATOM 11521 N1 G 0 592 197.546 44.741 93.467 1.00737.35 N ATOM 11522 C2 G 0 592 198.229 43.702 94.051 1.00737.35 C ATOM 11523 N2 G 0 592 197.485 42.808 94.722 1.00737.35 N ATOM 11524 N3 G 0 592 199.540 43.550 93.983 1.00737.35 N ATOM 11525 C4 G 0 592 200.125 44.537 93.268 1.00737.35 C ATOM 11526 P C 0 593 203.899 40.943 89.856 1.00737.35 P ATOM 11527 O1P C 0 593 204.802 39.790 89.606 1.00737.35 O ATOM 11528 O2P C 0 593 203.703 41.963 88.794 1.00737.35 O ATOM 11529 O5* C 0 593 202.470 40.377 90.275 1.00737.35 O ATOM 11530 C5* C 0 593 202.349 39.285 91.185 1.00737.35 C ATOM 11531 C4* C 0 593 200.892 38.953 91.417 1.00737.35 C ATOM 11532 O4* C 0 593 200.241 40.071 92.074 1.00737.35 O ATOM 11533 C3* C 0 593 200.069 38.716 90.162 1.00737.35 C ATOM 11534 O3* C 0 593 200.192 37.370 89.716 1.00737.35 O ATOM 11535 C2* C 0 593 198.654 39.031 90.637 1.00737.35 C ATOM 11536 O2* C 0 593 198.047 37.958 91.329 1.00737.35 O ATOM 11537 C1* C 0 593 198.907 40.192 91.602 1.00737.35 C ATOM 11538 N1 C 0 593 198.740 41.526 90.991 1.00737.35 N ATOM 11539 C2 C 0 593 197.449 42.078 90.900 1.00737.35 C ATOM 11540 O2 C 0 593 196.477 41.421 91.318 1.00737.35 O ATOM 11541 N3 C 0 593 197.295 43.307 90.359 1.00737.35 N ATOM 11542 C4 C 0 593 198.357 43.980 89.912 1.00737.35 C ATOM 11543 N4 C 0 593 198.154 45.194 89.392 1.00737.35 N ATOM 11544 C5 C 0 593 199.674 43.441 89.979 1.00737.35 C ATOM 11545 C6 C 0 593 199.818 42.225 90.520 1.00737.35 C ATOM 11546 P G 0 594 200.283 37.057 88.143 1.00737.35 P ATOM 11547 O1P G 0 594 200.326 35.579 87.987 1.00737.35 O ATOM 11548 O2P G 0 594 201.369 37.886 87.562 1.00737.35 O ATOM 11549 O5* G 0 594 198.893 37.582 87.564 1.00737.35 O ATOM 11550 C5* G 0 594 197.678 36.878 87.813 1.00737.35 C ATOM 11551 C4* G 0 594 196.515 37.586 87.157 1.00737.35 C ATOM 11552 O4* G 0 594 196.316 38.877 87.791 1.00737.35 O ATOM 11553 C3* G 0 594 196.692 37.917 85.686 1.00737.35 C ATOM 11554 O3* G 0 594 196.366 36.805 84.857 1.00737.35 O ATOM 11555 C2* G 0 594 195.720 39.074 85.496 1.00737.35 C ATOM 11556 O2* G 0 594 194.380 38.654 85.331 1.00737.35 O ATOM 11557 C1* G 0 594 195.870 39.818 86.826 1.00737.35 C ATOM 11558 N9 G 0 594 196.837 40.913 86.767 1.00737.35 N ATOM 11559 C8 G 0 594 198.207 40.818 86.828 1.00737.35 C ATOM 11560 N7 G 0 594 198.806 41.974 86.737 1.00737.35 N ATOM 11561 C5 G 0 594 197.769 42.890 86.610 1.00737.35 C ATOM 11562 C6 G 0 594 197.800 44.302 86.476 1.00737.35 C ATOM 11563 O6 G 0 594 198.783 45.050 86.436 1.00737.35 O ATOM 11564 N1 G 0 594 196.519 44.836 86.380 1.00737.35 N ATOM 11565 C2 G 0 594 195.355 44.106 86.409 1.00737.35 C ATOM 11566 N2 G 0 594 194.217 44.806 86.304 1.00737.35 N ATOM 11567 N3 G 0 594 195.313 42.791 86.534 1.00737.35 N ATOM 11568 C4 G 0 594 196.547 42.251 86.629 1.00737.35 C ATOM 11569 P A 0 595 197.421 36.295 83.754 1.00737.35 P ATOM 11570 O1P A 0 595 197.941 34.986 84.223 1.00737.35 O ATOM 11571 O2P A 0 595 198.374 37.393 83.448 1.00737.35 O ATOM 11572 O5* A 0 595 196.529 36.047 82.457 1.00737.35 O ATOM 11573 C5* A 0 595 195.652 34.927 82.368 1.00737.35 C ATOM 11574 C4* A 0 595 194.482 35.253 81.469 1.00737.35 C ATOM 11575 O4* A 0 595 193.685 36.299 82.084 1.00737.35 O ATOM 11576 C3* A 0 595 194.846 35.812 80.102 1.00737.35 C ATOM 11577 O3* A 0 595 195.115 34.769 79.172 1.00737.35 O ATOM 11578 C2* A 0 595 193.589 36.586 79.724 1.00737.35 C ATOM 11579 O2* A 0 595 192.563 35.766 79.205 1.00737.35 O ATOM 11580 C1* A 0 595 193.160 37.153 81.080 1.00737.35 C ATOM 11581 N9 A 0 595 193.652 38.509 81.323 1.00737.35 N ATOM 11582 C8 A 0 595 194.887 38.900 81.783 1.00737.35 C ATOM 11583 N7 A 0 595 195.025 40.198 81.888 1.00737.35 N ATOM 11584 C5 A 0 595 193.800 40.699 81.469 1.00737.35 C ATOM 11585 C6 A 0 595 193.306 42.010 81.345 1.00737.35 C ATOM 11586 N6 A 0 595 194.014 43.101 81.642 1.00737.35 N ATOM 11587 N1 A 0 595 192.040 42.162 80.900 1.00737.35 N ATOM 11588 C2 A 0 595 191.328 41.069 80.602 1.00737.35 C ATOM 11589 N3 A 0 595 191.682 39.788 80.676 1.00737.35 N ATOM 11590 C4 A 0 595 192.944 39.670 81.119 1.00737.35 C ATOM 11591 P C 0 596 196.457 34.814 78.289 1.00737.35 P ATOM 11592 O1P C 0 596 197.551 34.240 79.113 1.00737.35 O ATOM 11593 O2P C 0 596 196.607 36.181 77.721 1.00737.35 O ATOM 11594 O5* C 0 596 196.160 33.810 77.088 1.00737.35 O ATOM 11595 C5* C 0 596 195.702 32.483 77.337 1.00737.35 C ATOM 11596 C4* C 0 596 194.861 31.995 76.181 1.00737.35 C ATOM 11597 O4* C 0 596 193.684 32.834 76.057 1.00737.35 O ATOM 11598 C3* C 0 596 195.524 32.060 74.813 1.00737.35 C ATOM 11599 O3* C 0 596 196.313 30.896 74.591 1.00737.35 O ATOM 11600 C2* C 0 596 194.323 32.131 73.876 1.00737.35 C ATOM 11601 O2* C 0 596 193.734 30.868 73.630 1.00737.35 O ATOM 11602 C1* C 0 596 193.359 33.001 74.686 1.00737.35 C ATOM 11603 N1 C 0 596 193.430 34.440 74.354 1.00737.35 N ATOM 11604 C2 C 0 596 192.639 34.938 73.306 1.00737.35 C ATOM 11605 O2 C 0 596 191.898 34.159 72.678 1.00737.35 O ATOM 11606 N3 C 0 596 192.700 36.256 73.003 1.00737.35 N ATOM 11607 C4 C 0 596 193.503 37.065 73.695 1.00737.35 C ATOM 11608 N4 C 0 596 193.530 38.358 73.363 1.00737.35 N ATOM 11609 C5 C 0 596 194.320 36.586 74.760 1.00737.35 C ATOM 11610 C6 C 0 596 194.253 35.281 75.053 1.00737.35 C ATOM 11611 P U 0 597 197.520 30.933 73.529 1.00737.35 P ATOM 11612 O1P U 0 597 198.281 32.190 73.748 1.00737.35 O ATOM 11613 O2P U 0 597 196.956 30.643 72.185 1.00737.35 O ATOM 11614 O5* U 0 597 198.436 29.701 73.959 1.00737.35 O ATOM 11615 C5* U 0 597 199.382 29.829 75.021 1.00737.35 C ATOM 11616 C4* U 0 597 199.143 28.770 76.072 1.00737.35 C ATOM 11617 O4* U 0 597 197.814 28.948 76.635 1.00737.35 O ATOM 11618 C3* U 0 597 199.148 27.325 75.593 1.00737.35 C ATOM 11619 O3* U 0 597 200.475 26.813 75.516 1.00737.35 O ATOM 11620 C2* U 0 597 198.329 26.627 76.670 1.00737.35 C ATOM 11621 O2* U 0 597 199.071 26.348 77.841 1.00737.35 O ATOM 11622 C1* U 0 597 197.264 27.684 76.974 1.00737.35 C ATOM 11623 N1 U 0 597 196.016 27.490 76.216 1.00737.35 N ATOM 11624 C2 U 0 597 195.006 26.746 76.808 1.00737.35 C ATOM 11625 O2 U 0 597 195.107 26.251 77.923 1.00737.35 O ATOM 11626 N3 U 0 597 193.873 26.600 76.048 1.00737.35 N ATOM 11627 C4 U 0 597 193.644 27.109 74.786 1.00737.35 C ATOM 11628 O4 U 0 597 192.567 26.890 74.232 1.00737.35 O ATOM 11629 C5 U 0 597 194.731 27.863 74.241 1.00737.35 C ATOM 11630 C6 U 0 597 195.851 28.024 74.953 1.00737.35 C ATOM 11631 P U 0 598 200.780 25.514 74.617 1.00737.35 P ATOM 11632 O1P U 0 598 202.254 25.337 74.586 1.00737.35 O ATOM 11633 O2P U 0 598 200.030 25.637 73.340 1.00737.35 O ATOM 11634 O5* U 0 598 200.149 24.311 75.454 1.00737.35 O ATOM 11635 C5* U 0 598 200.712 23.915 76.703 1.00737.35 C ATOM 11636 C4* U 0 598 199.825 22.897 77.384 1.00737.35 C ATOM 11637 O4* U 0 598 198.538 23.499 77.681 1.00737.35 O ATOM 11638 C3* U 0 598 199.478 21.660 76.570 1.00737.35 C ATOM 11639 O3* U 0 598 200.513 20.685 76.652 1.00737.35 O ATOM 11640 C2* U 0 598 198.193 21.185 77.241 1.00737.35 C ATOM 11641 O2* U 0 598 198.423 20.447 78.425 1.00737.35 O ATOM 11642 C1* U 0 598 197.518 22.517 77.584 1.00737.35 C ATOM 11643 N1 U 0 598 196.530 22.952 76.581 1.00737.35 N ATOM 11644 C2 U 0 598 195.212 22.550 76.752 1.00737.35 C ATOM 11645 O2 U 0 598 194.841 21.859 77.689 1.00737.35 O ATOM 11646 N3 U 0 598 194.342 22.988 75.784 1.00737.35 N ATOM 11647 C4 U 0 598 194.642 23.766 74.684 1.00737.35 C ATOM 11648 O4 U 0 598 193.743 24.083 73.903 1.00737.35 O ATOM 11649 C5 U 0 598 196.019 24.140 74.575 1.00737.35 C ATOM 11650 C6 U 0 598 196.892 23.731 75.502 1.00737.35 C ATOM 11651 P A 0 599 200.666 19.582 75.490 1.00737.35 P ATOM 11652 O1P A 0 599 201.990 18.933 75.675 1.00737.35 O ATOM 11653 O2P A 0 599 200.339 20.217 74.185 1.00737.35 O ATOM 11654 O5* A 0 599 199.532 18.513 75.821 1.00737.35 O ATOM 11655 C5* A 0 599 199.678 17.604 76.909 1.00737.35 C ATOM 11656 C4* A 0 599 198.436 16.754 77.057 1.00737.35 C ATOM 11657 O4* A 0 599 197.309 17.601 77.407 1.00737.35 O ATOM 11658 C3* A 0 599 197.979 16.022 75.806 1.00737.35 C ATOM 11659 O3* A 0 599 198.685 14.794 75.640 1.00737.35 O ATOM 11660 C2* A 0 599 196.498 15.793 76.091 1.00737.35 C ATOM 11661 O2* A 0 599 196.259 14.688 76.939 1.00737.35 O ATOM 11662 C1* A 0 599 196.127 17.090 76.812 1.00737.35 C ATOM 11663 N9 A 0 599 195.576 18.114 75.921 1.00737.35 N ATOM 11664 C8 A 0 599 196.247 19.116 75.264 1.00737.35 C ATOM 11665 N7 A 0 599 195.473 19.879 74.530 1.00737.35 N ATOM 11666 C5 A 0 599 194.206 19.344 74.717 1.00737.35 C ATOM 11667 C6 A 0 599 192.946 19.703 74.207 1.00737.35 C ATOM 11668 N6 A 0 599 192.748 20.728 73.376 1.00737.35 N ATOM 11669 N1 A 0 599 191.881 18.963 74.587 1.00737.35 N ATOM 11670 C2 A 0 599 192.082 17.936 75.422 1.00737.35 C ATOM 11671 N3 A 0 599 193.216 17.500 75.968 1.00737.35 N ATOM 11672 C4 A 0 599 194.253 18.257 75.570 1.00737.35 C ATOM 11673 P G 0 600 198.863 14.168 74.168 1.00737.35 P ATOM 11674 O1P G 0 600 199.759 12.990 74.297 1.00737.35 O ATOM 11675 O2P G 0 600 199.218 15.261 73.228 1.00737.35 O ATOM 11676 O5* G 0 600 197.404 13.643 73.792 1.00737.35 O ATOM 11677 C5* G 0 600 196.803 12.571 74.514 1.00737.35 C ATOM 11678 C4* G 0 600 195.336 12.455 74.165 1.00737.35 C ATOM 11679 O4* G 0 600 194.656 13.683 74.541 1.00737.35 O ATOM 11680 C3* G 0 600 195.008 12.283 72.690 1.00737.35 C ATOM 11681 O3* G 0 600 195.096 10.918 72.293 1.00737.35 O ATOM 11682 C2* G 0 600 193.574 12.792 72.618 1.00737.35 C ATOM 11683 O2* G 0 600 192.621 11.832 73.031 1.00737.35 O ATOM 11684 C1* G 0 600 193.610 13.950 73.620 1.00737.35 C ATOM 11685 N9 G 0 600 193.850 15.249 72.998 1.00737.35 N ATOM 11686 C8 G 0 600 195.000 16.003 73.052 1.00737.35 C ATOM 11687 N7 G 0 600 194.908 17.127 72.397 1.00737.35 N ATOM 11688 C5 G 0 600 193.620 17.118 71.875 1.00737.35 C ATOM 11689 C6 G 0 600 192.946 18.075 71.072 1.00737.35 C ATOM 11690 O6 G 0 600 193.365 19.162 70.652 1.00737.35 O ATOM 11691 N1 G 0 600 191.655 17.664 70.763 1.00737.35 N ATOM 11692 C2 G 0 600 191.081 16.486 71.172 1.00737.35 C ATOM 11693 N2 G 0 600 189.821 16.266 70.766 1.00737.35 N ATOM 11694 N3 G 0 600 191.697 15.588 71.924 1.00737.35 N ATOM 11695 C4 G 0 600 192.954 15.966 72.236 1.00737.35 C ATOM 11696 P A 0 601 195.147 10.540 70.728 1.00737.35 P ATOM 11697 O1P A 0 601 194.864 11.769 69.941 1.00737.35 O ATOM 11698 O2P A 0 601 194.305 9.334 70.527 1.00737.35 O ATOM 11699 O5* A 0 601 196.664 10.128 70.468 1.00737.35 O ATOM 11700 C5* A 0 601 197.742 10.944 70.923 1.00737.35 C ATOM 11701 C4* A 0 601 198.990 10.650 70.119 1.00737.35 C ATOM 11702 O4* A 0 601 199.280 9.229 70.205 1.00737.35 O ATOM 11703 C3* A 0 601 198.885 10.926 68.626 1.00737.35 C ATOM 11704 O3* A 0 601 199.192 12.289 68.336 1.00737.35 O ATOM 11705 C2* A 0 601 199.928 9.975 68.047 1.00737.35 C ATOM 11706 O2* A 0 601 201.249 10.468 68.151 1.00737.35 O ATOM 11707 C1* A 0 601 199.755 8.757 68.953 1.00737.35 C ATOM 11708 N9 A 0 601 198.788 7.785 68.432 1.00737.35 N ATOM 11709 C8 A 0 601 197.423 7.785 68.590 1.00737.35 C ATOM 11710 N7 A 0 601 196.822 6.783 67.996 1.00737.35 N ATOM 11711 C5 A 0 601 197.861 6.073 67.409 1.00737.35 C ATOM 11712 C6 A 0 601 197.883 4.902 66.631 1.00737.35 C ATOM 11713 N6 A 0 601 196.790 4.213 66.297 1.00737.35 N ATOM 11714 N1 A 0 601 199.083 4.458 66.201 1.00737.35 N ATOM 11715 C2 A 0 601 200.180 5.149 66.533 1.00737.35 C ATOM 11716 N3 A 0 601 200.288 6.264 67.256 1.00737.35 N ATOM 11717 C4 A 0 601 199.077 6.679 67.667 1.00737.35 C ATOM 11718 P C 0 602 198.637 12.968 66.986 1.00737.35 P ATOM 11719 O1P C 0 602 198.827 11.998 65.876 1.00737.35 O ATOM 11720 O2P C 0 602 199.236 14.323 66.882 1.00737.35 O ATOM 11721 O5* C 0 602 197.072 13.142 67.239 1.00737.35 O ATOM 11722 C5* C 0 602 196.192 12.019 67.214 1.00737.35 C ATOM 11723 C4* C 0 602 194.807 12.446 66.781 1.00737.35 C ATOM 11724 O4* C 0 602 194.272 13.400 67.739 1.00737.35 O ATOM 11725 C3* C 0 602 194.729 13.170 65.447 1.00737.35 C ATOM 11726 O3* C 0 602 194.677 12.241 64.368 1.00737.35 O ATOM 11727 C2* C 0 602 193.435 13.962 65.584 1.00737.35 C ATOM 11728 O2* C 0 602 192.280 13.190 65.328 1.00737.35 O ATOM 11729 C1* C 0 602 193.476 14.362 67.062 1.00737.35 C ATOM 11730 N1 C 0 602 194.045 15.704 67.298 1.00737.35 N ATOM 11731 C2 C 0 602 193.204 16.827 67.203 1.00737.35 C ATOM 11732 O2 C 0 602 192.003 16.663 66.920 1.00737.35 O ATOM 11733 N3 C 0 602 193.717 18.058 67.422 1.00737.35 N ATOM 11734 C4 C 0 602 195.011 18.198 67.721 1.00737.35 C ATOM 11735 N4 C 0 602 195.474 19.434 67.928 1.00737.35 N ATOM 11736 C5 C 0 602 195.889 17.080 67.822 1.00737.35 C ATOM 11737 C6 C 0 602 195.369 15.864 67.606 1.00737.35 C ATOM 11738 P C 0 603 195.277 12.653 62.933 1.00737.35 P ATOM 11739 O1P C 0 603 195.194 11.451 62.063 1.00737.35 O ATOM 11740 O2P C 0 603 196.587 13.320 63.141 1.00737.35 O ATOM 11741 O5* C 0 603 194.246 13.741 62.386 1.00737.35 O ATOM 11742 C5* C 0 603 192.956 13.358 61.912 1.00737.35 C ATOM 11743 C4* C 0 603 192.217 14.560 61.373 1.00737.35 C ATOM 11744 O4* C 0 603 191.931 15.481 62.458 1.00737.35 O ATOM 11745 C3* C 0 603 192.973 15.397 60.354 1.00737.35 C ATOM 11746 O3* C 0 603 192.844 14.849 59.045 1.00737.35 O ATOM 11747 C2* C 0 603 192.290 16.754 60.478 1.00737.35 C ATOM 11748 O2* C 0 603 191.077 16.832 59.757 1.00737.35 O ATOM 11749 C1* C 0 603 192.004 16.815 61.982 1.00737.35 C ATOM 11750 N1 C 0 603 193.031 17.543 62.756 1.00737.35 N ATOM 11751 C2 C 0 603 192.938 18.941 62.863 1.00737.35 C ATOM 11752 O2 C 0 603 192.003 19.534 62.301 1.00737.35 O ATOM 11753 N3 C 0 603 193.875 19.612 63.574 1.00737.35 N ATOM 11754 C4 C 0 603 194.871 18.945 64.165 1.00737.35 C ATOM 11755 N4 C 0 603 195.768 19.651 64.856 1.00737.35 N ATOM 11756 C5 C 0 603 194.990 17.529 64.070 1.00737.35 C ATOM 11757 C6 C 0 603 194.060 16.874 63.365 1.00737.35 C ATOM 11758 P U 0 604 194.058 14.984 58.001 1.00737.35 P ATOM 11759 O1P U 0 604 193.663 14.252 56.770 1.00737.35 O ATOM 11760 O2P U 0 604 195.322 14.621 58.695 1.00737.35 O ATOM 11761 O5* U 0 604 194.103 16.540 57.664 1.00737.35 O ATOM 11762 C5* U 0 604 193.044 17.162 56.941 1.00737.35 C ATOM 11763 C4* U 0 604 193.230 18.663 56.923 1.00737.35 C ATOM 11764 O4* U 0 604 193.141 19.176 58.279 1.00737.35 O ATOM 11765 C3* U 0 604 194.576 19.162 56.424 1.00737.35 C ATOM 11766 O3* U 0 604 194.608 19.230 55.000 1.00737.35 O ATOM 11767 C2* U 0 604 194.668 20.538 57.069 1.00737.35 C ATOM 11768 O2* U 0 604 193.933 21.529 56.377 1.00737.35 O ATOM 11769 C1* U 0 604 194.029 20.272 58.434 1.00737.35 C ATOM 11770 N1 U 0 604 195.012 19.943 59.482 1.00737.35 N ATOM 11771 C2 U 0 604 195.571 20.990 60.202 1.00737.35 C ATOM 11772 O2 U 0 604 195.285 22.162 60.009 1.00737.35 O ATOM 11773 N3 U 0 604 196.485 20.614 61.154 1.00737.35 N ATOM 11774 C4 U 0 604 196.889 19.331 61.462 1.00737.35 C ATOM 11775 O4 U 0 604 197.725 19.157 62.350 1.00737.35 O ATOM 11776 C5 U 0 604 196.265 18.307 60.683 1.00737.35 C ATOM 11777 C6 U 0 604 195.372 18.637 59.745 1.00737.35 C ATOM 11778 P G 0 605 196.021 19.240 54.235 1.00737.35 P ATOM 11779 O1P G 0 605 195.740 19.018 52.791 1.00737.35 O ATOM 11780 O2P G 0 605 196.959 18.331 54.945 1.00737.35 O ATOM 11781 O5* G 0 605 196.544 20.734 54.417 1.00737.35 O ATOM 11782 C5* G 0 605 195.904 21.819 53.749 1.00737.35 C ATOM 11783 C4* G 0 605 196.505 23.137 54.180 1.00737.35 C ATOM 11784 O4* G 0 605 196.239 23.359 55.590 1.00737.35 O ATOM 11785 C3* G 0 605 198.018 23.251 54.067 1.00737.35 C ATOM 11786 O3* G 0 605 198.416 23.591 52.742 1.00737.35 O ATOM 11787 C2* G 0 605 198.326 24.370 55.056 1.00737.35 C ATOM 11788 O2* G 0 605 198.097 25.661 54.526 1.00737.35 O ATOM 11789 C1* G 0 605 197.316 24.078 56.169 1.00737.35 C ATOM 11790 N9 G 0 605 197.878 23.285 57.261 1.00737.35 N ATOM 11791 C8 G 0 605 197.774 21.926 57.446 1.00737.35 C ATOM 11792 N7 G 0 605 198.391 21.506 58.518 1.00737.35 N ATOM 11793 C5 G 0 605 198.935 22.656 59.075 1.00737.35 C ATOM 11794 C6 G 0 605 199.713 22.830 60.248 1.00737.35 C ATOM 11795 O6 G 0 605 200.091 21.972 61.059 1.00737.35 O ATOM 11796 N1 G 0 605 200.055 24.164 60.443 1.00737.35 N ATOM 11797 C2 G 0 605 199.696 25.200 59.617 1.00737.35 C ATOM 11798 N2 G 0 605 200.123 26.419 59.973 1.00737.35 N ATOM 11799 N3 G 0 605 198.970 25.051 58.520 1.00737.35 N ATOM 11800 C4 G 0 605 198.626 23.763 58.314 1.00737.35 C ATOM 11801 P A 0 606 199.900 23.226 52.240 1.00737.35 P ATOM 11802 O1P A 0 606 199.997 23.638 50.816 1.00737.35 O ATOM 11803 O2P A 0 606 200.194 21.819 52.617 1.00737.35 O ATOM 11804 O5* A 0 606 200.841 24.181 53.106 1.00737.35 O ATOM 11805 C5* A 0 606 200.871 25.587 52.867 1.00737.35 C ATOM 11806 C4* A 0 606 201.877 26.255 53.777 1.00737.35 C ATOM 11807 O4* A 0 606 201.435 26.154 55.159 1.00737.35 O ATOM 11808 C3* A 0 606 203.271 25.650 53.793 1.00737.35 C ATOM 11809 O3* A 0 606 204.049 26.123 52.697 1.00737.35 O ATOM 11810 C2* A 0 606 203.815 26.132 55.134 1.00737.35 C ATOM 11811 O2* A 0 606 204.301 27.460 55.094 1.00737.35 O ATOM 11812 C1* A 0 606 202.564 26.064 56.014 1.00737.35 C ATOM 11813 N9 A 0 606 202.466 24.826 56.791 1.00737.35 N ATOM 11814 C8 A 0 606 201.833 23.654 56.449 1.00737.35 C ATOM 11815 N7 A 0 606 201.926 22.719 57.361 1.00737.35 N ATOM 11816 C5 A 0 606 202.667 23.310 58.374 1.00737.35 C ATOM 11817 C6 A 0 606 203.112 22.840 59.624 1.00737.35 C ATOM 11818 N6 A 0 606 202.863 21.611 60.081 1.00737.35 N ATOM 11819 N1 A 0 606 203.830 23.684 60.395 1.00737.35 N ATOM 11820 C2 A 0 606 204.080 24.916 59.934 1.00737.35 C ATOM 11821 N3 A 0 606 203.718 25.475 58.781 1.00737.35 N ATOM 11822 C4 A 0 606 203.004 24.610 58.037 1.00737.35 C ATOM 11823 P C 0 607 205.271 25.233 52.147 1.00737.35 P ATOM 11824 O1P C 0 607 205.786 25.902 50.924 1.00737.35 O ATOM 11825 O2P C 0 607 204.830 23.815 52.075 1.00737.35 O ATOM 11826 O5* C 0 607 206.376 25.353 53.288 1.00737.35 O ATOM 11827 C5* C 0 607 207.038 26.593 53.535 1.00737.35 C ATOM 11828 C4* C 0 607 207.972 26.468 54.717 1.00737.35 C ATOM 11829 O4* C 0 607 207.201 26.214 55.922 1.00737.35 O ATOM 11830 C3* C 0 607 208.967 25.319 54.669 1.00737.35 C ATOM 11831 O3* C 0 607 210.110 25.658 53.890 1.00737.35 O ATOM 11832 C2* C 0 607 209.312 25.134 56.143 1.00737.35 C ATOM 11833 O2* C 0 607 210.271 26.063 56.610 1.00737.35 O ATOM 11834 C1* C 0 607 207.959 25.404 56.809 1.00737.35 C ATOM 11835 N1 C 0 607 207.196 24.175 57.109 1.00737.35 N ATOM 11836 C2 C 0 607 207.412 23.530 58.339 1.00737.35 C ATOM 11837 O2 C 0 607 208.231 24.010 59.141 1.00737.35 O ATOM 11838 N3 C 0 607 206.727 22.399 58.621 1.00737.35 N ATOM 11839 C4 C 0 607 205.853 21.910 57.736 1.00737.35 C ATOM 11840 N4 C 0 607 205.201 20.789 58.058 1.00737.35 N ATOM 11841 C5 C 0 607 205.613 22.546 56.484 1.00737.35 C ATOM 11842 C6 C 0 607 206.298 23.664 56.213 1.00737.35 C ATOM 11843 P G 0 608 210.989 24.495 53.218 1.00737.35 P ATOM 11844 O1P G 0 608 212.014 25.152 52.366 1.00737.35 O ATOM 11845 O2P G 0 608 210.073 23.492 52.616 1.00737.35 O ATOM 11846 O5* G 0 608 211.730 23.812 54.453 1.00737.35 O ATOM 11847 C5* G 0 608 212.710 24.527 55.202 1.00737.35 C ATOM 11848 C4* G 0 608 213.152 23.722 56.404 1.00737.35 C ATOM 11849 O4* G 0 608 212.033 23.539 57.308 1.00737.35 O ATOM 11850 C3* G 0 608 213.633 22.307 56.121 1.00737.35 C ATOM 11851 O3* G 0 608 214.995 22.300 55.708 1.00737.35 O ATOM 11852 C2* G 0 608 213.445 21.629 57.475 1.00737.35 C ATOM 11853 O2* G 0 608 214.499 21.893 58.379 1.00737.35 O ATOM 11854 C1* G 0 608 212.160 22.293 57.976 1.00737.35 C ATOM 11855 N9 G 0 608 210.955 21.497 57.729 1.00737.35 N ATOM 11856 C8 G 0 608 210.021 21.679 56.737 1.00737.35 C ATOM 11857 N7 G 0 608 209.055 20.806 56.777 1.00737.35 N ATOM 11858 C5 G 0 608 209.367 19.994 57.859 1.00737.35 C ATOM 11859 C6 G 0 608 208.684 18.869 58.397 1.00737.35 C ATOM 11860 O6 G 0 608 207.631 18.349 58.012 1.00737.35 O ATOM 11861 N1 G 0 608 209.353 18.345 59.498 1.00737.35 N ATOM 11862 C2 G 0 608 210.526 18.838 60.020 1.00737.35 C ATOM 11863 N2 G 0 608 211.015 18.189 61.086 1.00737.35 N ATOM 11864 N3 G 0 608 211.169 19.882 59.529 1.00737.35 N ATOM 11865 C4 G 0 608 210.538 20.409 58.458 1.00737.35 C ATOM 11866 P U 0 609 215.568 21.057 54.865 1.00737.35 P ATOM 11867 O1P U 0 609 216.958 21.400 54.463 1.00737.35 O ATOM 11868 O2P U 0 609 214.574 20.693 53.823 1.00737.35 O ATOM 11869 O5* U 0 609 215.635 19.871 55.927 1.00737.35 O ATOM 11870 C5* U 0 609 216.522 19.937 57.042 1.00737.35 C ATOM 11871 C4* U 0 609 216.377 18.705 57.906 1.00737.35 C ATOM 11872 O4* U 0 609 215.043 18.664 58.476 1.00737.35 O ATOM 11873 C3* U 0 609 216.520 17.370 57.190 1.00737.35 C ATOM 11874 O3* U 0 609 217.894 17.013 57.059 1.00737.35 O ATOM 11875 C2* U 0 609 215.764 16.425 58.117 1.00737.35 C ATOM 11876 O2* U 0 609 216.532 16.001 59.227 1.00737.35 O ATOM 11877 C1* U 0 609 214.612 17.315 58.589 1.00737.35 C ATOM 11878 N1 U 0 609 213.370 17.143 57.817 1.00737.35 N ATOM 11879 C2 U 0 609 212.483 16.155 58.222 1.00737.35 C ATOM 11880 O2 U 0 609 212.688 15.429 59.184 1.00737.35 O ATOM 11881 N3 U 0 609 211.346 16.050 57.460 1.00737.35 N ATOM 11882 C4 U 0 609 211.009 16.809 56.358 1.00737.35 C ATOM 11883 O4 U 0 609 209.944 16.595 55.776 1.00737.35 O ATOM 11884 C5 U 0 609 211.973 17.805 56.000 1.00737.35 C ATOM 11885 C6 U 0 609 213.090 17.935 56.723 1.00737.35 C ATOM 11886 P G 0 610 218.357 16.043 55.863 1.00737.35 P ATOM 11887 O1P G 0 610 219.835 16.151 55.757 1.00737.35 O ATOM 11888 O2P G 0 610 217.516 16.320 54.669 1.00737.35 O ATOM 11889 O5* G 0 610 217.999 14.584 56.395 1.00737.35 O ATOM 11890 C5* G 0 610 218.737 13.990 57.462 1.00737.35 C ATOM 11891 C4* G 0 610 218.116 12.670 57.860 1.00737.35 C ATOM 11892 O4* G 0 610 216.784 12.906 58.387 1.00737.35 O ATOM 11893 C3* G 0 610 217.905 11.671 56.734 1.00737.35 C ATOM 11894 O3* G 0 610 219.090 10.920 56.482 1.00737.35 O ATOM 11895 C2* G 0 610 216.779 10.802 57.280 1.00737.35 C ATOM 11896 O2* G 0 610 217.229 9.814 58.186 1.00737.35 O ATOM 11897 C1* G 0 610 215.928 11.837 58.019 1.00737.35 C ATOM 11898 N9 G 0 610 214.834 12.375 57.211 1.00737.35 N ATOM 11899 C8 G 0 610 214.879 13.461 56.369 1.00737.35 C ATOM 11900 N7 G 0 610 213.739 13.702 55.780 1.00737.35 N ATOM 11901 C5 G 0 610 212.890 12.715 56.258 1.00737.35 C ATOM 11902 C6 G 0 610 211.523 12.461 55.975 1.00737.35 C ATOM 11903 O6 G 0 610 210.765 13.081 55.220 1.00737.35 O ATOM 11904 N1 G 0 610 211.050 11.357 56.677 1.00737.35 N ATOM 11905 C2 G 0 610 211.795 10.593 57.542 1.00737.35 C ATOM 11906 N2 G 0 610 211.155 9.568 58.125 1.00737.35 N ATOM 11907 N3 G 0 610 213.069 10.817 57.816 1.00737.35 N ATOM 11908 C4 G 0 610 213.551 11.885 57.145 1.00737.35 C ATOM 11909 P C 0 611 219.340 10.288 55.025 1.00737.35 P ATOM 11910 O1P C 0 611 220.630 9.557 55.077 1.00737.35 O ATOM 11911 O2P C 0 611 219.143 11.355 54.009 1.00737.35 O ATOM 11912 O5* C 0 611 218.170 9.216 54.873 1.00737.35 O ATOM 11913 C5* C 0 611 217.742 8.766 53.589 1.00737.35 C ATOM 11914 C4* C 0 611 216.477 7.951 53.725 1.00737.35 C ATOM 11915 O4* C 0 611 215.483 8.734 54.438 1.00737.35 O ATOM 11916 C3* C 0 611 215.792 7.564 52.422 1.00737.35 C ATOM 11917 O3* C 0 611 216.361 6.372 51.883 1.00737.35 O ATOM 11918 C2* C 0 611 214.353 7.348 52.876 1.00737.35 C ATOM 11919 O2* C 0 611 214.139 6.085 53.475 1.00737.35 O ATOM 11920 C1* C 0 611 214.192 8.449 53.925 1.00737.35 C ATOM 11921 N1 C 0 611 213.602 9.696 53.394 1.00737.35 N ATOM 11922 C2 C 0 611 212.206 9.791 53.273 1.00737.35 C ATOM 11923 O2 C 0 611 211.498 8.825 53.612 1.00737.35 O ATOM 11924 N3 C 0 611 211.660 10.930 52.788 1.00737.35 N ATOM 11925 C4 C 0 611 212.446 11.947 52.433 1.00737.35 C ATOM 11926 N4 C 0 611 211.862 13.053 51.962 1.00737.35 N ATOM 11927 C5 C 0 611 213.865 11.878 52.543 1.00737.35 C ATOM 11928 C6 C 0 611 214.397 10.747 53.023 1.00737.35 C ATOM 11929 P G 0 612 216.480 6.189 50.286 1.00737.35 P ATOM 11930 O1P G 0 612 217.183 4.904 50.045 1.00737.35 O ATOM 11931 O2P G 0 612 217.029 7.442 49.707 1.00737.35 O ATOM 11932 O5* G 0 612 214.975 6.026 49.784 1.00737.35 O ATOM 11933 C5* G 0 612 214.030 5.263 50.531 1.00737.35 C ATOM 11934 C4* G 0 612 212.630 5.772 50.287 1.00737.35 C ATOM 11935 O4* G 0 612 212.628 7.220 50.394 1.00737.35 O ATOM 11936 C3* G 0 612 212.041 5.493 48.911 1.00737.35 C ATOM 11937 O3* G 0 612 211.437 4.200 48.930 1.00737.35 O ATOM 11938 C2* G 0 612 211.000 6.601 48.775 1.00737.35 C ATOM 11939 O2* G 0 612 209.790 6.311 49.447 1.00737.35 O ATOM 11940 C1* G 0 612 211.703 7.768 49.470 1.00737.35 C ATOM 11941 N9 G 0 612 212.431 8.648 48.556 1.00737.35 N ATOM 11942 C8 G 0 612 213.641 8.402 47.951 1.00737.35 C ATOM 11943 N7 G 0 612 214.040 9.378 47.183 1.00737.35 N ATOM 11944 C5 G 0 612 213.033 10.330 47.286 1.00737.35 C ATOM 11945 C6 G 0 612 212.907 11.606 46.677 1.00737.35 C ATOM 11946 O6 G 0 612 213.688 12.168 45.900 1.00737.35 O ATOM 11947 N1 G 0 612 211.729 12.238 47.057 1.00737.35 N ATOM 11948 C2 G 0 612 210.790 11.715 47.909 1.00737.35 C ATOM 11949 N2 G 0 612 209.718 12.482 48.153 1.00737.35 N ATOM 11950 N3 G 0 612 210.893 10.528 48.483 1.00737.35 N ATOM 11951 C4 G 0 612 212.032 9.894 48.130 1.00737.35 C ATOM 11952 P A 0 613 210.854 3.549 47.576 1.00737.35 P ATOM 11953 O1P A 0 613 211.822 2.523 47.105 1.00737.35 O ATOM 11954 O2P A 0 613 210.438 4.638 46.657 1.00737.35 O ATOM 11955 O5* A 0 613 209.540 2.795 48.073 1.00737.35 O ATOM 11956 C5* A 0 613 209.501 2.164 49.353 1.00737.35 C ATOM 11957 C4* A 0 613 209.176 3.182 50.422 1.00737.35 C ATOM 11958 O4* A 0 613 207.798 3.619 50.278 1.00737.35 O ATOM 11959 C3* A 0 613 209.255 2.704 51.863 1.00737.35 C ATOM 11960 O3* A 0 613 210.605 2.737 52.323 1.00737.35 O ATOM 11961 C2* A 0 613 208.384 3.731 52.577 1.00737.35 C ATOM 11962 O2* A 0 613 209.051 4.956 52.805 1.00737.35 O ATOM 11963 C1* A 0 613 207.267 3.943 51.554 1.00737.35 C ATOM 11964 N9 A 0 613 206.094 3.103 51.802 1.00737.35 N ATOM 11965 C8 A 0 613 205.806 1.865 51.282 1.00737.35 C ATOM 11966 N7 A 0 613 204.674 1.361 51.713 1.00737.35 N ATOM 11967 C5 A 0 613 204.182 2.334 52.573 1.00737.35 C ATOM 11968 C6 A 0 613 203.015 2.401 53.354 1.00737.35 C ATOM 11969 N6 A 0 613 202.092 1.437 53.396 1.00737.35 N ATOM 11970 N1 A 0 613 202.822 3.513 54.101 1.00737.35 N ATOM 11971 C2 A 0 613 203.746 4.479 54.058 1.00737.35 C ATOM 11972 N3 A 0 613 204.884 4.529 53.368 1.00737.35 N ATOM 11973 C4 A 0 613 205.044 3.413 52.637 1.00737.35 C ATOM 11974 P G 0 614 211.009 1.968 53.678 1.00737.35 P ATOM 11975 O1P G 0 614 212.482 1.770 53.672 1.00737.35 O ATOM 11976 O2P G 0 614 210.113 0.790 53.829 1.00737.35 O ATOM 11977 O5* G 0 614 210.651 3.008 54.830 1.00737.35 O ATOM 11978 C5* G 0 614 211.260 4.298 54.867 1.00737.35 C ATOM 11979 C4* G 0 614 210.536 5.194 55.844 1.00737.35 C ATOM 11980 O4* G 0 614 209.156 5.351 55.414 1.00737.35 O ATOM 11981 C3* G 0 614 210.435 4.673 57.268 1.00737.35 C ATOM 11982 O3* G 0 614 211.606 5.002 58.011 1.00737.35 O ATOM 11983 C2* G 0 614 209.197 5.396 57.787 1.00737.35 C ATOM 11984 O2* G 0 614 209.458 6.732 58.173 1.00737.35 O ATOM 11985 C1* G 0 614 208.303 5.388 56.546 1.00737.35 C ATOM 11986 N9 G 0 614 207.405 4.237 56.480 1.00737.35 N ATOM 11987 C8 G 0 614 207.700 2.981 56.001 1.00737.35 C ATOM 11988 N7 G 0 614 206.690 2.157 56.062 1.00737.35 N ATOM 11989 C5 G 0 614 205.664 2.912 56.619 1.00737.35 C ATOM 11990 C6 G 0 614 204.326 2.556 56.926 1.00737.35 C ATOM 11991 O6 G 0 614 203.760 1.467 56.762 1.00737.35 O ATOM 11992 N1 G 0 614 203.627 3.622 57.478 1.00737.35 N ATOM 11993 C2 G 0 614 204.144 4.873 57.705 1.00737.35 C ATOM 11994 N2 G 0 614 203.308 5.772 58.246 1.00737.35 N ATOM 11995 N3 G 0 614 205.391 5.222 57.418 1.00737.35 N ATOM 11996 C4 G 0 614 206.088 4.198 56.884 1.00737.35 C ATOM 11997 P C 0 615 211.964 4.184 59.347 1.00737.35 P ATOM 11998 O1P C 0 615 213.366 4.502 59.722 1.00737.35 O ATOM 11999 O2P C 0 615 211.568 2.768 59.134 1.00737.35 O ATOM 12000 O5* C 0 615 210.999 4.810 60.449 1.00737.35 O ATOM 12001 C5* C 0 615 211.066 6.198 60.775 1.00737.35 C ATOM 12002 C4* C 0 615 209.837 6.622 61.547 1.00737.35 C ATOM 12003 O4* C 0 615 208.654 6.377 60.742 1.00737.35 O ATOM 12004 C3* C 0 615 209.566 5.884 62.846 1.00737.35 C ATOM 12005 O3* C 0 615 210.335 6.448 63.909 1.00737.35 O ATOM 12006 C2* C 0 615 208.066 6.094 63.029 1.00737.35 C ATOM 12007 O2* C 0 615 207.744 7.355 63.578 1.00737.35 O ATOM 12008 C1* C 0 615 207.569 6.017 61.582 1.00737.35 C ATOM 12009 N1 C 0 615 207.089 4.677 61.188 1.00737.35 N ATOM 12010 C2 C 0 615 205.721 4.378 61.324 1.00737.35 C ATOM 12011 O2 C 0 615 204.948 5.247 61.759 1.00737.35 O ATOM 12012 N3 C 0 615 205.278 3.149 60.969 1.00737.35 N ATOM 12013 C4 C 0 615 206.136 2.239 60.500 1.00737.35 C ATOM 12014 N4 C 0 615 205.655 1.040 60.164 1.00737.35 N ATOM 12015 C5 C 0 615 207.526 2.515 60.355 1.00737.35 C ATOM 12016 C6 C 0 615 207.957 3.734 60.706 1.00737.35 C ATOM 12017 P U 0 616 210.175 5.882 65.408 1.00737.35 P ATOM 12018 O1P U 0 616 211.397 6.243 66.171 1.00737.35 O ATOM 12019 O2P U 0 616 209.760 4.458 65.323 1.00737.35 O ATOM 12020 O5* U 0 616 208.955 6.725 65.994 1.00737.35 O ATOM 12021 C5* U 0 616 208.288 6.327 67.186 1.00737.35 C ATOM 12022 C4* U 0 616 206.800 6.551 67.044 1.00737.35 C ATOM 12023 O4* U 0 616 206.328 5.837 65.869 1.00737.35 O ATOM 12024 C3* U 0 616 205.948 6.019 68.186 1.00737.35 C ATOM 12025 O3* U 0 616 205.850 6.977 69.237 1.00737.35 O ATOM 12026 C2* U 0 616 204.607 5.783 67.504 1.00737.35 C ATOM 12027 O2* U 0 616 203.839 6.962 67.359 1.00737.35 O ATOM 12028 C1* U 0 616 205.052 5.279 66.130 1.00737.35 C ATOM 12029 N1 U 0 616 205.155 3.811 66.040 1.00737.35 N ATOM 12030 C2 U 0 616 204.020 3.101 65.674 1.00737.35 C ATOM 12031 O2 U 0 616 202.951 3.636 65.423 1.00737.35 O ATOM 12032 N3 U 0 616 204.186 1.739 65.610 1.00737.35 N ATOM 12033 C4 U 0 616 205.338 1.028 65.870 1.00737.35 C ATOM 12034 O4 U 0 616 205.328 -0.199 65.767 1.00737.35 O ATOM 12035 C5 U 0 616 206.465 1.828 66.242 1.00737.35 C ATOM 12036 C6 U 0 616 206.338 3.156 66.314 1.00737.35 C ATOM 12037 P U 0 617 206.044 6.513 70.769 1.00737.35 P ATOM 12038 O1P U 0 617 206.179 7.735 71.599 1.00737.35 O ATOM 12039 O2P U 0 617 207.114 5.483 70.804 1.00737.35 O ATOM 12040 O5* U 0 617 204.664 5.812 71.152 1.00737.35 O ATOM 12041 C5* U 0 617 204.222 4.633 70.480 1.00737.35 C ATOM 12042 C4* U 0 617 203.034 4.036 71.195 1.00737.35 C ATOM 12043 O4* U 0 617 202.509 2.937 70.405 1.00737.35 O ATOM 12044 C3* U 0 617 203.336 3.426 72.555 1.00737.35 C ATOM 12045 O3* U 0 617 203.287 4.418 73.576 1.00737.35 O ATOM 12046 C2* U 0 617 202.219 2.399 72.701 1.00737.35 C ATOM 12047 O2* U 0 617 200.999 2.969 73.134 1.00737.35 O ATOM 12048 C1* U 0 617 202.074 1.896 71.264 1.00737.35 C ATOM 12049 N1 U 0 617 202.859 0.684 70.970 1.00737.35 N ATOM 12050 C2 U 0 617 202.312 -0.546 71.308 1.00737.35 C ATOM 12051 O2 U 0 617 201.220 -0.666 71.842 1.00737.35 O ATOM 12052 N3 U 0 617 203.091 -1.632 70.998 1.00737.35 N ATOM 12053 C4 U 0 617 204.336 -1.623 70.400 1.00737.35 C ATOM 12054 O4 U 0 617 204.910 -2.689 70.180 1.00737.35 O ATOM 12055 C5 U 0 617 204.836 -0.319 70.087 1.00737.35 C ATOM 12056 C6 U 0 617 204.101 0.760 70.373 1.00737.35 C ATOM 12057 P A 0 618 204.126 4.212 74.935 1.00737.35 P ATOM 12058 O1P A 0 618 203.958 5.428 75.769 1.00737.35 O ATOM 12059 O2P A 0 618 205.491 3.763 74.560 1.00737.35 O ATOM 12060 O5* A 0 618 203.389 2.998 75.660 1.00737.35 O ATOM 12061 C5* A 0 618 202.044 3.123 76.120 1.00737.35 C ATOM 12062 C4* A 0 618 201.486 1.766 76.482 1.00737.35 C ATOM 12063 O4* A 0 618 201.478 0.925 75.298 1.00737.35 O ATOM 12064 C3* A 0 618 202.288 0.975 77.506 1.00737.35 C ATOM 12065 O3* A 0 618 201.915 1.339 78.832 1.00737.35 O ATOM 12066 C2* A 0 618 201.894 -0.461 77.184 1.00737.35 C ATOM 12067 O2* A 0 618 200.656 -0.839 77.751 1.00737.35 O ATOM 12068 C1* A 0 618 201.775 -0.415 75.660 1.00737.35 C ATOM 12069 N9 A 0 618 202.995 -0.823 74.960 1.00737.35 N ATOM 12070 C8 A 0 618 204.076 -0.047 74.613 1.00737.35 C ATOM 12071 N7 A 0 618 205.019 -0.705 73.987 1.00737.35 N ATOM 12072 C5 A 0 618 204.531 -2.003 73.917 1.00737.35 C ATOM 12073 C6 A 0 618 205.059 -3.186 73.369 1.00737.35 C ATOM 12074 N6 A 0 618 206.245 -3.256 72.761 1.00737.35 N ATOM 12075 N1 A 0 618 204.318 -4.310 73.468 1.00737.35 N ATOM 12076 C2 A 0 618 203.129 -4.241 74.076 1.00737.35 C ATOM 12077 N3 A 0 618 202.524 -3.192 74.628 1.00737.35 N ATOM 12078 C4 A 0 618 203.286 -2.089 74.515 1.00737.35 C ATOM 12079 P A 0 619 203.043 1.484 79.968 1.00737.35 P ATOM 12080 O1P A 0 619 202.362 1.644 81.279 1.00737.35 O ATOM 12081 O2P A 0 619 204.005 2.519 79.512 1.00737.35 O ATOM 12082 O5* A 0 619 203.792 0.077 79.961 1.00737.35 O ATOM 12083 C5* A 0 619 203.091 -1.132 80.250 1.00737.35 C ATOM 12084 C4* A 0 619 203.901 -2.325 79.793 1.00737.35 C ATOM 12085 O4* A 0 619 204.101 -2.240 78.357 1.00737.35 O ATOM 12086 C3* A 0 619 205.305 -2.425 80.371 1.00737.35 C ATOM 12087 O3* A 0 619 205.287 -3.074 81.638 1.00737.35 O ATOM 12088 C2* A 0 619 206.034 -3.244 79.311 1.00737.35 C ATOM 12089 O2* A 0 619 205.792 -4.632 79.416 1.00737.35 O ATOM 12090 C1* A 0 619 205.400 -2.705 78.026 1.00737.35 C ATOM 12091 N9 A 0 619 206.146 -1.596 77.429 1.00737.35 N ATOM 12092 C8 A 0 619 206.068 -0.257 77.737 1.00737.35 C ATOM 12093 N7 A 0 619 206.866 0.498 77.024 1.00737.35 N ATOM 12094 C5 A 0 619 207.515 -0.399 76.188 1.00737.35 C ATOM 12095 C6 A 0 619 208.490 -0.224 75.187 1.00737.35 C ATOM 12096 N6 A 0 619 208.999 0.964 74.850 1.00737.35 N ATOM 12097 N1 A 0 619 208.928 -1.325 74.541 1.00737.35 N ATOM 12098 C2 A 0 619 208.418 -2.515 74.881 1.00737.35 C ATOM 12099 N3 A 0 619 207.499 -2.807 75.800 1.00737.35 N ATOM 12100 C4 A 0 619 207.082 -1.692 76.425 1.00737.35 C ATOM 12101 P G 0 620 206.499 -2.846 82.674 1.00737.35 P ATOM 12102 O1P G 0 620 206.020 -3.217 84.029 1.00737.35 O ATOM 12103 O2P G 0 620 207.053 -1.487 82.441 1.00737.35 O ATOM 12104 O5* G 0 620 207.595 -3.908 82.220 1.00737.35 O ATOM 12105 C5* G 0 620 207.416 -5.303 82.467 1.00737.35 C ATOM 12106 C4* G 0 620 208.529 -6.099 81.822 1.00737.35 C ATOM 12107 O4* G 0 620 208.461 -5.940 80.381 1.00737.35 O ATOM 12108 C3* G 0 620 209.943 -5.675 82.188 1.00737.35 C ATOM 12109 O3* G 0 620 210.362 -6.278 83.408 1.00737.35 O ATOM 12110 C2* G 0 620 210.747 -6.172 80.993 1.00737.35 C ATOM 12111 O2* G 0 620 211.048 -7.552 81.060 1.00737.35 O ATOM 12112 C1* G 0 620 209.773 -5.909 79.843 1.00737.35 C ATOM 12113 N9 G 0 620 209.973 -4.613 79.197 1.00737.35 N ATOM 12114 C8 G 0 620 209.468 -3.398 79.598 1.00737.35 C ATOM 12115 N7 G 0 620 209.819 -2.413 78.816 1.00737.35 N ATOM 12116 C5 G 0 620 210.604 -3.011 77.841 1.00737.35 C ATOM 12117 C6 G 0 620 211.265 -2.445 76.723 1.00737.35 C ATOM 12118 O6 G 0 620 211.288 -1.263 76.358 1.00737.35 O ATOM 12119 N1 G 0 620 211.952 -3.410 75.993 1.00737.35 N ATOM 12120 C2 G 0 620 211.997 -4.748 76.297 1.00737.35 C ATOM 12121 N2 G 0 620 212.717 -5.519 75.468 1.00737.35 N ATOM 12122 N3 G 0 620 211.384 -5.289 77.336 1.00737.35 N ATOM 12123 C4 G 0 620 210.709 -4.368 78.060 1.00737.35 C ATOM 12124 P U 0 621 211.474 -5.556 84.314 1.00737.35 P ATOM 12125 O1P U 0 621 211.626 -6.335 85.571 1.00737.35 O ATOM 12126 O2P U 0 621 211.133 -4.111 84.387 1.00737.35 O ATOM 12127 O5* U 0 621 212.818 -5.702 83.468 1.00737.35 O ATOM 12128 C5* U 0 621 213.434 -6.975 83.284 1.00737.35 C ATOM 12129 C4* U 0 621 214.685 -6.839 82.446 1.00737.35 C ATOM 12130 O4* U 0 621 214.329 -6.382 81.116 1.00737.35 O ATOM 12131 C3* U 0 621 215.705 -5.821 82.933 1.00737.35 C ATOM 12132 O3* U 0 621 216.548 -6.380 83.936 1.00737.35 O ATOM 12133 C2* U 0 621 216.470 -5.496 81.656 1.00737.35 C ATOM 12134 O2* U 0 621 217.454 -6.460 81.336 1.00737.35 O ATOM 12135 C1* U 0 621 215.349 -5.532 80.613 1.00737.35 C ATOM 12136 N1 U 0 621 214.768 -4.210 80.327 1.00737.35 N ATOM 12137 C2 U 0 621 215.333 -3.459 79.305 1.00737.35 C ATOM 12138 O2 U 0 621 216.280 -3.847 78.636 1.00737.35 O ATOM 12139 N3 U 0 621 214.747 -2.235 79.094 1.00737.35 N ATOM 12140 C4 U 0 621 213.679 -1.694 79.780 1.00737.35 C ATOM 12141 O4 U 0 621 213.271 -0.571 79.477 1.00737.35 O ATOM 12142 C5 U 0 621 213.152 -2.526 80.817 1.00737.35 C ATOM 12143 C6 U 0 621 213.698 -3.724 81.048 1.00737.35 C ATOM 12144 P U 0 622 217.156 -5.433 85.087 1.00737.35 P ATOM 12145 O1P U 0 622 217.757 -6.306 86.129 1.00737.35 O ATOM 12146 O2P U 0 622 216.107 -4.452 85.471 1.00737.35 O ATOM 12147 O5* U 0 622 218.328 -4.641 84.355 1.00737.35 O ATOM 12148 C5* U 0 622 219.550 -5.291 84.010 1.00737.35 C ATOM 12149 C4* U 0 622 220.472 -4.337 83.288 1.00737.35 C ATOM 12150 O4* U 0 622 219.862 -3.934 82.034 1.00737.35 O ATOM 12151 C3* U 0 622 220.764 -3.024 83.998 1.00737.35 C ATOM 12152 O3* U 0 622 221.822 -3.172 84.941 1.00737.35 O ATOM 12153 C2* U 0 622 221.172 -2.117 82.843 1.00737.35 C ATOM 12154 O2* U 0 622 222.517 -2.295 82.445 1.00737.35 O ATOM 12155 C1* U 0 622 220.237 -2.598 81.730 1.00737.35 C ATOM 12156 N1 U 0 622 219.018 -1.780 81.594 1.00737.35 N ATOM 12157 C2 U 0 622 219.053 -0.714 80.710 1.00737.35 C ATOM 12158 O2 U 0 622 220.037 -0.434 80.041 1.00737.35 O ATOM 12159 N3 U 0 622 217.891 0.016 80.636 1.00737.35 N ATOM 12160 C4 U 0 622 216.724 -0.203 81.341 1.00737.35 C ATOM 12161 O4 U 0 622 215.766 0.556 81.180 1.00737.35 O ATOM 12162 C5 U 0 622 216.764 -1.324 82.228 1.00737.35 C ATOM 12163 C6 U 0 622 217.880 -2.056 82.323 1.00737.35 C ATOM 12164 P G 0 623 221.650 -2.599 86.435 1.00737.35 P ATOM 12165 O1P G 0 623 222.988 -2.575 87.078 1.00737.35 O ATOM 12166 O2P G 0 623 220.542 -3.352 87.075 1.00737.35 O ATOM 12167 O5* G 0 623 221.167 -1.093 86.227 1.00737.35 O ATOM 12168 C5* G 0 623 221.983 -0.141 85.550 1.00737.35 C ATOM 12169 C4* G 0 623 221.211 1.134 85.309 1.00737.35 C ATOM 12170 O4* G 0 623 220.048 0.835 84.491 1.00737.35 O ATOM 12171 C3* G 0 623 220.637 1.804 86.547 1.00737.35 C ATOM 12172 O3* G 0 623 221.590 2.664 87.167 1.00737.35 O ATOM 12173 C2* G 0 623 219.466 2.595 85.976 1.00737.35 C ATOM 12174 O2* G 0 623 219.855 3.817 85.381 1.00737.35 O ATOM 12175 C1* G 0 623 218.951 1.636 84.901 1.00737.35 C ATOM 12176 N9 G 0 623 217.882 0.759 85.371 1.00737.35 N ATOM 12177 C8 G 0 623 217.973 -0.579 85.675 1.00737.35 C ATOM 12178 N7 G 0 623 216.844 -1.095 86.075 1.00737.35 N ATOM 12179 C5 G 0 623 215.947 -0.034 86.033 1.00737.35 C ATOM 12180 C6 G 0 623 214.567 0.017 86.358 1.00737.35 C ATOM 12181 O6 G 0 623 213.834 -0.896 86.758 1.00737.35 O ATOM 12182 N1 G 0 623 214.046 1.292 86.173 1.00737.35 N ATOM 12183 C2 G 0 623 214.757 2.381 85.734 1.00737.35 C ATOM 12184 N2 G 0 623 214.071 3.528 85.620 1.00737.35 N ATOM 12185 N3 G 0 623 216.043 2.348 85.427 1.00737.35 N ATOM 12186 C4 G 0 623 216.571 1.117 85.600 1.00737.35 C ATOM 12187 P A 0 624 221.571 2.857 88.763 1.00737.35 P ATOM 12188 O1P A 0 624 222.575 1.932 89.353 1.00737.35 O ATOM 12189 O2P A 0 624 220.159 2.790 89.216 1.00737.35 O ATOM 12190 O5* A 0 624 222.074 4.355 88.980 1.00737.35 O ATOM 12191 C5* A 0 624 223.458 4.688 88.910 1.00737.35 C ATOM 12192 C4* A 0 624 223.679 6.106 89.389 1.00737.35 C ATOM 12193 O4* A 0 624 225.103 6.374 89.463 1.00737.35 O ATOM 12194 C3* A 0 624 223.137 7.198 88.479 1.00737.35 C ATOM 12195 O3* A 0 624 221.756 7.438 88.734 1.00737.35 O ATOM 12196 C2* A 0 624 223.992 8.399 88.875 1.00737.35 C ATOM 12197 O2* A 0 624 223.529 9.049 90.043 1.00737.35 O ATOM 12198 C1* A 0 624 225.345 7.738 89.155 1.00737.35 C ATOM 12199 N9 A 0 624 226.279 7.800 88.030 1.00737.35 N ATOM 12200 C8 A 0 624 226.270 7.055 86.875 1.00737.35 C ATOM 12201 N7 A 0 624 227.248 7.345 86.052 1.00737.35 N ATOM 12202 C5 A 0 624 227.949 8.347 86.705 1.00737.35 C ATOM 12203 C6 A 0 624 229.096 9.081 86.355 1.00737.35 C ATOM 12204 N6 A 0 624 229.765 8.912 85.213 1.00737.35 N ATOM 12205 N1 A 0 624 229.539 10.010 87.234 1.00737.35 N ATOM 12206 C2 A 0 624 228.868 10.180 88.379 1.00737.35 C ATOM 12207 N3 A 0 624 227.780 9.553 88.818 1.00737.35 N ATOM 12208 C4 A 0 624 227.364 8.637 87.925 1.00737.35 C ATOM 12209 P A 0 625 220.690 7.329 87.533 1.00737.35 P ATOM 12210 O1P A 0 625 219.419 7.951 87.985 1.00737.35 O ATOM 12211 O2P A 0 625 220.690 5.920 87.067 1.00737.35 O ATOM 12212 O5* A 0 625 221.309 8.228 86.374 1.00737.35 O ATOM 12213 C5* A 0 625 221.381 9.647 86.497 1.00737.35 C ATOM 12214 C4* A 0 625 222.205 10.229 85.372 1.00737.35 C ATOM 12215 O4* A 0 625 223.561 9.718 85.469 1.00737.35 O ATOM 12216 C3* A 0 625 221.756 9.856 83.966 1.00737.35 C ATOM 12217 O3* A 0 625 220.742 10.742 83.503 1.00737.35 O ATOM 12218 C2* A 0 625 223.045 9.999 83.166 1.00737.35 C ATOM 12219 O2* A 0 625 223.334 11.339 82.811 1.00737.35 O ATOM 12220 C1* A 0 625 224.086 9.495 84.171 1.00737.35 C ATOM 12221 N9 A 0 625 224.390 8.070 84.036 1.00737.35 N ATOM 12222 C8 A 0 625 223.632 6.998 84.448 1.00737.35 C ATOM 12223 N7 A 0 625 224.176 5.836 84.190 1.00737.35 N ATOM 12224 C5 A 0 625 225.372 6.158 83.565 1.00737.35 C ATOM 12225 C6 A 0 625 226.412 5.365 83.046 1.00737.35 C ATOM 12226 N6 A 0 625 226.412 4.031 83.077 1.00737.35 N ATOM 12227 N1 A 0 625 227.466 6.000 82.487 1.00737.35 N ATOM 12228 C2 A 0 625 227.466 7.338 82.459 1.00737.35 C ATOM 12229 N3 A 0 625 226.550 8.192 82.913 1.00737.35 N ATOM 12230 C4 A 0 625 225.516 7.531 83.462 1.00737.35 C ATOM 12231 P A 0 626 219.555 10.182 82.571 1.00737.35 P ATOM 12232 O1P A 0 626 218.673 11.322 82.213 1.00737.35 O ATOM 12233 O2P A 0 626 218.978 8.991 83.244 1.00737.35 O ATOM 12234 O5* A 0 626 220.294 9.690 81.247 1.00737.35 O ATOM 12235 C5* A 0 626 221.088 10.587 80.472 1.00737.35 C ATOM 12236 C4* A 0 626 221.805 9.837 79.371 1.00737.35 C ATOM 12237 O4* A 0 626 222.644 8.810 79.968 1.00737.35 O ATOM 12238 C3* A 0 626 220.916 9.083 78.394 1.00737.35 C ATOM 12239 O3* A 0 626 220.466 9.944 77.352 1.00737.35 O ATOM 12240 C2* A 0 626 221.859 8.004 77.873 1.00737.35 C ATOM 12241 O2* A 0 626 222.740 8.471 76.871 1.00737.35 O ATOM 12242 C1* A 0 626 222.654 7.661 79.135 1.00737.35 C ATOM 12243 N9 A 0 626 222.093 6.535 79.889 1.00737.35 N ATOM 12244 C8 A 0 626 221.226 6.577 80.955 1.00737.35 C ATOM 12245 N7 A 0 626 220.903 5.397 81.421 1.00737.35 N ATOM 12246 C5 A 0 626 221.601 4.514 80.607 1.00737.35 C ATOM 12247 C6 A 0 626 221.682 3.110 80.582 1.00737.35 C ATOM 12248 N6 A 0 626 221.028 2.317 81.433 1.00737.35 N ATOM 12249 N1 A 0 626 222.469 2.544 79.643 1.00737.35 N ATOM 12250 C2 A 0 626 223.126 3.339 78.791 1.00737.35 C ATOM 12251 N3 A 0 626 223.131 4.668 78.713 1.00737.35 N ATOM 12252 C4 A 0 626 222.339 5.202 79.660 1.00737.35 C ATOM 12253 P A 0 627 219.057 9.657 76.626 1.00737.35 P ATOM 12254 O1P A 0 627 218.792 10.774 75.683 1.00737.35 O ATOM 12255 O2P A 0 627 218.061 9.334 77.678 1.00737.35 O ATOM 12256 O5* A 0 627 219.318 8.337 75.770 1.00737.35 O ATOM 12257 C5* A 0 627 220.429 8.248 74.878 1.00737.35 C ATOM 12258 C4* A 0 627 220.628 6.820 74.426 1.00737.35 C ATOM 12259 O4* A 0 627 220.761 5.968 75.597 1.00737.35 O ATOM 12260 C3* A 0 627 219.480 6.201 73.642 1.00737.35 C ATOM 12261 O3* A 0 627 219.575 6.538 72.258 1.00737.35 O ATOM 12262 C2* A 0 627 219.689 4.712 73.890 1.00737.35 C ATOM 12263 O2* A 0 627 220.692 4.146 73.073 1.00737.35 O ATOM 12264 C1* A 0 627 220.147 4.713 75.350 1.00737.35 C ATOM 12265 N9 A 0 627 219.044 4.542 76.298 1.00737.35 N ATOM 12266 C8 A 0 627 218.229 5.509 76.834 1.00737.35 C ATOM 12267 N7 A 0 627 217.318 5.040 77.653 1.00737.35 N ATOM 12268 C5 A 0 627 217.550 3.673 77.660 1.00737.35 C ATOM 12269 C6 A 0 627 216.921 2.610 78.331 1.00737.35 C ATOM 12270 N6 A 0 627 215.881 2.765 79.157 1.00737.35 N ATOM 12271 N1 A 0 627 217.399 1.364 78.125 1.00737.35 N ATOM 12272 C2 A 0 627 218.436 1.207 77.293 1.00737.35 C ATOM 12273 N3 A 0 627 219.109 2.123 76.603 1.00737.35 N ATOM 12274 C4 A 0 627 218.612 3.351 76.834 1.00737.35 C ATOM 12275 P A 0 628 218.385 6.131 71.251 1.00737.35 P ATOM 12276 O1P A 0 628 218.626 6.812 69.953 1.00737.35 O ATOM 12277 O2P A 0 628 217.095 6.341 71.961 1.00737.35 O ATOM 12278 O5* A 0 628 218.591 4.565 71.039 1.00737.35 O ATOM 12279 C5* A 0 628 217.601 3.772 70.392 1.00737.35 C ATOM 12280 C4* A 0 628 217.926 2.305 70.556 1.00737.35 C ATOM 12281 O4* A 0 628 218.083 2.009 71.968 1.00737.35 O ATOM 12282 C3* A 0 628 216.858 1.335 70.076 1.00737.35 C ATOM 12283 O3* A 0 628 216.995 1.080 68.680 1.00737.35 O ATOM 12284 C2* A 0 628 217.148 0.095 70.916 1.00737.35 C ATOM 12285 O2* A 0 628 218.213 -0.685 70.407 1.00737.35 O ATOM 12286 C1* A 0 628 217.558 0.720 72.250 1.00737.35 C ATOM 12287 N9 A 0 628 216.454 0.873 73.199 1.00737.35 N ATOM 12288 C8 A 0 628 215.465 1.829 73.193 1.00737.35 C ATOM 12289 N7 A 0 628 214.612 1.712 74.180 1.00737.35 N ATOM 12290 C5 A 0 628 215.068 0.607 74.885 1.00737.35 C ATOM 12291 C6 A 0 628 214.597 -0.032 76.045 1.00737.35 C ATOM 12292 N6 A 0 628 213.519 0.367 76.724 1.00737.35 N ATOM 12293 N1 A 0 628 215.279 -1.110 76.489 1.00737.35 N ATOM 12294 C2 A 0 628 216.361 -1.509 75.807 1.00737.35 C ATOM 12295 N3 A 0 628 216.902 -0.990 74.706 1.00737.35 N ATOM 12296 C4 A 0 628 216.200 0.078 74.291 1.00737.35 C ATOM 12297 P C 0 629 215.739 0.527 67.840 1.00737.35 P ATOM 12298 O1P C 0 629 216.102 0.548 66.399 1.00737.35 O ATOM 12299 O2P C 0 629 214.527 1.260 68.298 1.00737.35 O ATOM 12300 O5* C 0 629 215.601 -0.991 68.300 1.00737.35 O ATOM 12301 C5* C 0 629 216.628 -1.942 68.018 1.00737.35 C ATOM 12302 C4* C 0 629 216.393 -3.219 68.790 1.00737.35 C ATOM 12303 O4* C 0 629 216.423 -2.926 70.213 1.00737.35 O ATOM 12304 C3* C 0 629 215.042 -3.884 68.571 1.00737.35 C ATOM 12305 O3* C 0 629 215.070 -4.729 67.424 1.00737.35 O ATOM 12306 C2* C 0 629 214.868 -4.689 69.854 1.00737.35 C ATOM 12307 O2* C 0 629 215.572 -5.918 69.838 1.00737.35 O ATOM 12308 C1* C 0 629 215.488 -3.751 70.891 1.00737.35 C ATOM 12309 N1 C 0 629 214.501 -2.893 71.573 1.00737.35 N ATOM 12310 C2 C 0 629 213.868 -3.373 72.733 1.00737.35 C ATOM 12311 O2 C 0 629 214.158 -4.504 73.158 1.00737.35 O ATOM 12312 N3 C 0 629 212.960 -2.589 73.361 1.00737.35 N ATOM 12313 C4 C 0 629 212.673 -1.378 72.877 1.00737.35 C ATOM 12314 N4 C 0 629 211.772 -0.643 73.532 1.00737.35 N ATOM 12315 C5 C 0 629 213.299 -0.867 71.704 1.00737.35 C ATOM 12316 C6 C 0 629 214.196 -1.648 71.090 1.00737.35 C ATOM 12317 P G 0 630 213.866 -4.674 66.360 1.00737.35 P ATOM 12318 O1P G 0 630 213.959 -5.874 65.489 1.00737.35 O ATOM 12319 O2P G 0 630 213.879 -3.322 65.747 1.00737.35 O ATOM 12320 O5* G 0 630 212.548 -4.797 67.245 1.00737.35 O ATOM 12321 C5* G 0 630 212.324 -5.929 68.085 1.00737.35 C ATOM 12322 C4* G 0 630 211.112 -5.700 68.956 1.00737.35 C ATOM 12323 O4* G 0 630 211.339 -4.532 69.788 1.00737.35 O ATOM 12324 C3* G 0 630 209.825 -5.388 68.209 1.00737.35 C ATOM 12325 O3* G 0 630 209.152 -6.584 67.824 1.00737.35 O ATOM 12326 C2* G 0 630 209.025 -4.612 69.250 1.00737.35 C ATOM 12327 O2* G 0 630 208.374 -5.446 70.190 1.00737.35 O ATOM 12328 C1* G 0 630 210.127 -3.811 69.947 1.00737.35 C ATOM 12329 N9 G 0 630 210.311 -2.469 69.395 1.00737.35 N ATOM 12330 C8 G 0 630 211.130 -2.100 68.354 1.00737.35 C ATOM 12331 N7 G 0 630 211.079 -0.825 68.087 1.00737.35 N ATOM 12332 C5 G 0 630 210.171 -0.316 69.007 1.00737.35 C ATOM 12333 C6 G 0 630 209.709 1.010 69.207 1.00737.35 C ATOM 12334 O6 G 0 630 210.019 2.036 68.589 1.00737.35 O ATOM 12335 N1 G 0 630 208.792 1.081 70.251 1.00737.35 N ATOM 12336 C2 G 0 630 208.373 0.017 71.007 1.00737.35 C ATOM 12337 N2 G 0 630 207.481 0.290 71.969 1.00737.35 N ATOM 12338 N3 G 0 630 208.796 -1.225 70.834 1.00737.35 N ATOM 12339 C4 G 0 630 209.688 -1.320 69.825 1.00737.35 C ATOM 12340 P G 0 631 208.858 -6.870 66.269 1.00737.35 P ATOM 12341 O1P G 0 631 207.717 -7.819 66.178 1.00737.35 O ATOM 12342 O2P G 0 631 210.153 -7.223 65.633 1.00737.35 O ATOM 12343 O5* G 0 631 208.390 -5.464 65.683 1.00737.35 O ATOM 12344 C5* G 0 631 207.289 -4.757 66.247 1.00737.35 C ATOM 12345 C4* G 0 631 206.890 -3.605 65.354 1.00737.35 C ATOM 12346 O4* G 0 631 208.017 -2.699 65.215 1.00737.35 O ATOM 12347 C3* G 0 631 206.535 -3.986 63.924 1.00737.35 C ATOM 12348 O3* G 0 631 205.167 -4.369 63.846 1.00737.35 O ATOM 12349 C2* G 0 631 206.800 -2.687 63.171 1.00737.35 C ATOM 12350 O2* G 0 631 205.738 -1.761 63.270 1.00737.35 O ATOM 12351 C1* G 0 631 208.027 -2.147 63.910 1.00737.35 C ATOM 12352 N9 G 0 631 209.297 -2.486 63.275 1.00737.35 N ATOM 12353 C8 G 0 631 209.884 -3.728 63.192 1.00737.35 C ATOM 12354 N7 G 0 631 211.025 -3.714 62.560 1.00737.35 N ATOM 12355 C5 G 0 631 211.203 -2.385 62.199 1.00737.35 C ATOM 12356 C6 G 0 631 212.261 -1.757 61.491 1.00737.35 C ATOM 12357 O6 G 0 631 213.286 -2.269 61.023 1.00737.35 O ATOM 12358 N1 G 0 631 212.042 -0.392 61.347 1.00737.35 N ATOM 12359 C2 G 0 631 210.946 0.287 61.825 1.00737.35 C ATOM 12360 N2 G 0 631 210.919 1.605 61.588 1.00737.35 N ATOM 12361 N3 G 0 631 209.953 -0.286 62.484 1.00737.35 N ATOM 12362 C4 G 0 631 210.145 -1.615 62.634 1.00737.35 C ATOM 12363 P A 0 632 204.777 -5.921 63.675 1.00737.35 P ATOM 12364 O1P A 0 632 205.859 -6.763 64.250 1.00737.35 O ATOM 12365 O2P A 0 632 204.364 -6.118 62.262 1.00737.35 O ATOM 12366 O5* A 0 632 203.482 -6.076 64.591 1.00737.35 O ATOM 12367 C5* A 0 632 202.963 -7.358 64.930 1.00737.35 C ATOM 12368 C4* A 0 632 201.658 -7.205 65.677 1.00737.35 C ATOM 12369 O4* A 0 632 201.900 -6.476 66.911 1.00737.35 O ATOM 12370 C3* A 0 632 200.599 -6.390 64.953 1.00737.35 C ATOM 12371 O3* A 0 632 199.845 -7.210 64.064 1.00737.35 O ATOM 12372 C2* A 0 632 199.750 -5.864 66.104 1.00737.35 C ATOM 12373 O2* A 0 632 198.818 -6.812 66.586 1.00737.35 O ATOM 12374 C1* A 0 632 200.819 -5.594 67.167 1.00737.35 C ATOM 12375 N9 A 0 632 201.326 -4.220 67.148 1.00737.35 N ATOM 12376 C8 A 0 632 202.434 -3.738 66.487 1.00737.35 C ATOM 12377 N7 A 0 632 202.636 -2.455 66.661 1.00737.35 N ATOM 12378 C5 A 0 632 201.593 -2.062 67.488 1.00737.35 C ATOM 12379 C6 A 0 632 201.240 -0.817 68.041 1.00737.35 C ATOM 12380 N6 A 0 632 201.929 0.306 67.833 1.00737.35 N ATOM 12381 N1 A 0 632 200.141 -0.768 68.824 1.00737.35 N ATOM 12382 C2 A 0 632 199.451 -1.894 69.033 1.00737.35 C ATOM 12383 N3 A 0 632 199.680 -3.122 68.570 1.00737.35 N ATOM 12384 C4 A 0 632 200.779 -3.139 67.796 1.00737.35 C ATOM 12385 P G 0 633 199.531 -6.691 62.575 1.00737.35 P ATOM 12386 O1P G 0 633 198.572 -7.635 61.947 1.00737.35 O ATOM 12387 O2P G 0 633 200.835 -6.420 61.914 1.00737.35 O ATOM 12388 O5* G 0 633 198.791 -5.296 62.797 1.00737.35 O ATOM 12389 C5* G 0 633 197.569 -5.223 63.527 1.00737.35 C ATOM 12390 C4* G 0 633 197.213 -3.782 63.811 1.00737.35 C ATOM 12391 O4* G 0 633 198.255 -3.184 64.627 1.00737.35 O ATOM 12392 C3* G 0 633 197.119 -2.872 62.595 1.00737.35 C ATOM 12393 O3* G 0 633 195.833 -2.961 61.989 1.00737.35 O ATOM 12394 C2* G 0 633 197.373 -1.496 63.200 1.00737.35 C ATOM 12395 O2* G 0 633 196.230 -0.941 63.818 1.00737.35 O ATOM 12396 C1* G 0 633 198.428 -1.824 64.260 1.00737.35 C ATOM 12397 N9 G 0 633 199.800 -1.639 63.788 1.00737.35 N ATOM 12398 C8 G 0 633 200.672 -2.611 63.354 1.00737.35 C ATOM 12399 N7 G 0 633 201.832 -2.133 62.991 1.00737.35 N ATOM 12400 C5 G 0 633 201.720 -0.766 63.200 1.00737.35 C ATOM 12401 C6 G 0 633 202.660 0.275 62.984 1.00737.35 C ATOM 12402 O6 G 0 633 203.817 0.195 62.552 1.00737.35 O ATOM 12403 N1 G 0 633 202.136 1.517 63.324 1.00737.35 N ATOM 12404 C2 G 0 633 200.870 1.734 63.810 1.00737.35 C ATOM 12405 N2 G 0 633 200.547 3.006 64.077 1.00737.35 N ATOM 12406 N3 G 0 633 199.983 0.773 64.017 1.00737.35 N ATOM 12407 C4 G 0 633 200.472 -0.442 63.691 1.00737.35 C ATOM 12408 P G 0 634 195.645 -2.546 60.445 1.00737.35 P ATOM 12409 O1P G 0 634 194.259 -2.887 60.039 1.00737.35 O ATOM 12410 O2P G 0 634 196.790 -3.105 59.682 1.00737.35 O ATOM 12411 O5* G 0 634 195.787 -0.958 60.455 1.00737.35 O ATOM 12412 C5* G 0 634 194.878 -0.144 61.194 1.00737.35 C ATOM 12413 C4* G 0 634 195.306 1.305 61.148 1.00737.35 C ATOM 12414 O4* G 0 634 196.614 1.438 61.766 1.00737.35 O ATOM 12415 C3* G 0 634 195.482 1.899 59.760 1.00737.35 C ATOM 12416 O3* G 0 634 194.234 2.356 59.244 1.00737.35 O ATOM 12417 C2* G 0 634 196.455 3.043 60.018 1.00737.35 C ATOM 12418 O2* G 0 634 195.828 4.202 60.531 1.00737.35 O ATOM 12419 C1* G 0 634 197.367 2.429 61.084 1.00737.35 C ATOM 12420 N9 G 0 634 198.568 1.801 60.540 1.00737.35 N ATOM 12421 C8 G 0 634 198.650 0.582 59.909 1.00737.35 C ATOM 12422 N7 G 0 634 199.863 0.280 59.533 1.00737.35 N ATOM 12423 C5 G 0 634 200.630 1.363 59.938 1.00737.35 C ATOM 12424 C6 G 0 634 202.020 1.601 59.802 1.00737.35 C ATOM 12425 O6 G 0 634 202.881 0.879 59.285 1.00737.35 O ATOM 12426 N1 G 0 634 202.385 2.827 60.353 1.00737.35 N ATOM 12427 C2 G 0 634 201.523 3.710 60.957 1.00737.35 C ATOM 12428 N2 G 0 634 202.072 4.841 61.427 1.00737.35 N ATOM 12429 N3 G 0 634 200.222 3.497 61.088 1.00737.35 N ATOM 12430 C4 G 0 634 199.846 2.313 60.558 1.00737.35 C ATOM 12431 P C 0 635 194.013 2.455 57.653 1.00737.35 P ATOM 12432 O1P C 0 635 192.577 2.735 57.405 1.00737.35 O ATOM 12433 O2P C 0 635 194.647 1.265 57.030 1.00737.35 O ATOM 12434 O5* C 0 635 194.859 3.739 57.230 1.00737.35 O ATOM 12435 C5* C 0 635 194.479 5.043 57.670 1.00737.35 C ATOM 12436 C4* C 0 635 195.575 6.040 57.367 1.00737.35 C ATOM 12437 O4* C 0 635 196.767 5.683 58.113 1.00737.35 O ATOM 12438 C3* C 0 635 196.039 6.089 55.920 1.00737.35 C ATOM 12439 O3* C 0 635 195.199 6.930 55.134 1.00737.35 O ATOM 12440 C2* C 0 635 197.447 6.653 56.053 1.00737.35 C ATOM 12441 O2* C 0 635 197.471 8.059 56.206 1.00737.35 O ATOM 12442 C1* C 0 635 197.923 5.983 57.344 1.00737.35 C ATOM 12443 N1 C 0 635 198.674 4.730 57.112 1.00737.35 N ATOM 12444 C2 C 0 635 200.073 4.787 56.997 1.00737.35 C ATOM 12445 O2 C 0 635 200.645 5.887 57.101 1.00737.35 O ATOM 12446 N3 C 0 635 200.766 3.648 56.775 1.00737.35 N ATOM 12447 C4 C 0 635 200.120 2.483 56.672 1.00737.35 C ATOM 12448 N4 C 0 635 200.846 1.383 56.455 1.00737.35 N ATOM 12449 C5 C 0 635 198.702 2.394 56.786 1.00737.35 C ATOM 12450 C6 C 0 635 198.027 3.529 57.003 1.00737.35 C ATOM 12451 P G 0 636 194.659 6.415 53.706 1.00737.35 P ATOM 12452 O1P G 0 636 193.725 7.443 53.178 1.00737.35 O ATOM 12453 O2P G 0 636 194.184 5.017 53.877 1.00737.35 O ATOM 12454 O5* G 0 636 195.952 6.396 52.773 1.00737.35 O ATOM 12455 C5* G 0 636 196.995 5.445 52.974 1.00737.35 C ATOM 12456 C4* G 0 636 198.284 5.950 52.372 1.00737.35 C ATOM 12457 O4* G 0 636 199.371 5.063 52.752 1.00737.35 O ATOM 12458 C3* G 0 636 198.338 5.977 50.852 1.00737.35 C ATOM 12459 O3* G 0 636 197.757 7.168 50.329 1.00737.35 O ATOM 12460 C2* G 0 636 199.837 5.924 50.585 1.00737.35 C ATOM 12461 O2* G 0 636 200.471 7.181 50.718 1.00737.35 O ATOM 12462 C1* G 0 636 200.313 4.982 51.694 1.00737.35 C ATOM 12463 N9 G 0 636 200.415 3.587 51.267 1.00737.35 N ATOM 12464 C8 G 0 636 199.574 2.549 51.591 1.00737.35 C ATOM 12465 N7 G 0 636 199.930 1.414 51.058 1.00737.35 N ATOM 12466 C5 G 0 636 201.076 1.717 50.335 1.00737.35 C ATOM 12467 C6 G 0 636 201.910 0.883 49.543 1.00737.35 C ATOM 12468 O6 G 0 636 201.800 -0.327 49.316 1.00737.35 O ATOM 12469 N1 G 0 636 202.965 1.599 48.987 1.00737.35 N ATOM 12470 C2 G 0 636 203.193 2.942 49.167 1.00737.35 C ATOM 12471 N2 G 0 636 204.265 3.450 48.546 1.00737.35 N ATOM 12472 N3 G 0 636 202.423 3.728 49.903 1.00737.35 N ATOM 12473 C4 G 0 636 201.391 3.053 50.453 1.00737.35 C ATOM 12474 P G 0 637 196.741 7.086 49.085 1.00737.35 P ATOM 12475 O1P G 0 637 196.659 8.445 48.492 1.00737.35 O ATOM 12476 O2P G 0 637 195.499 6.413 49.546 1.00737.35 O ATOM 12477 O5* G 0 637 197.467 6.129 48.036 1.00737.35 O ATOM 12478 C5* G 0 637 198.777 6.421 47.555 1.00737.35 C ATOM 12479 C4* G 0 637 199.423 5.171 47.004 1.00737.35 C ATOM 12480 O4* G 0 637 199.463 4.159 48.047 1.00737.35 O ATOM 12481 C3* G 0 637 198.684 4.499 45.858 1.00737.35 C ATOM 12482 O3* G 0 637 199.064 5.081 44.614 1.00737.35 O ATOM 12483 C2* G 0 637 199.165 3.055 45.961 1.00737.35 C ATOM 12484 O2* G 0 637 200.431 2.846 45.370 1.00737.35 O ATOM 12485 C1* G 0 637 199.268 2.875 47.478 1.00737.35 C ATOM 12486 N9 G 0 637 198.083 2.275 48.083 1.00737.35 N ATOM 12487 C8 G 0 637 196.877 2.887 48.335 1.00737.35 C ATOM 12488 N7 G 0 637 196.003 2.088 48.887 1.00737.35 N ATOM 12489 C5 G 0 637 196.670 0.878 49.006 1.00737.35 C ATOM 12490 C6 G 0 637 196.231 -0.366 49.533 1.00737.35 C ATOM 12491 O6 G 0 637 195.130 -0.653 50.016 1.00737.35 O ATOM 12492 N1 G 0 637 197.231 -1.333 49.460 1.00737.35 N ATOM 12493 C2 G 0 637 198.488 -1.133 48.949 1.00737.35 C ATOM 12494 N2 G 0 637 199.311 -2.191 48.968 1.00737.35 N ATOM 12495 N3 G 0 637 198.910 0.020 48.455 1.00737.35 N ATOM 12496 C4 G 0 637 197.956 0.975 48.514 1.00737.35 C ATOM 12497 P A 0 638 197.941 5.663 43.625 1.00737.35 P ATOM 12498 O1P A 0 638 198.630 6.070 42.374 1.00737.35 O ATOM 12499 O2P A 0 638 197.131 6.665 44.373 1.00737.35 O ATOM 12500 O5* A 0 638 197.021 4.406 43.284 1.00737.35 O ATOM 12501 C5* A 0 638 195.757 4.221 43.918 1.00737.35 C ATOM 12502 C4* A 0 638 194.641 4.508 42.941 1.00737.35 C ATOM 12503 O4* A 0 638 194.768 3.629 41.792 1.00737.35 O ATOM 12504 C3* A 0 638 193.230 4.261 43.447 1.00737.35 C ATOM 12505 O3* A 0 638 192.758 5.384 44.189 1.00737.35 O ATOM 12506 C2* A 0 638 192.455 4.067 42.144 1.00737.35 C ATOM 12507 O2* A 0 638 192.126 5.285 41.509 1.00737.35 O ATOM 12508 C1* A 0 638 193.477 3.314 41.291 1.00737.35 C ATOM 12509 N9 A 0 638 193.310 1.858 41.318 1.00737.35 N ATOM 12510 C8 A 0 638 193.895 0.949 42.167 1.00737.35 C ATOM 12511 N7 A 0 638 193.545 -0.292 41.933 1.00737.35 N ATOM 12512 C5 A 0 638 192.669 -0.197 40.861 1.00737.35 C ATOM 12513 C6 A 0 638 191.948 -1.165 40.138 1.00737.35 C ATOM 12514 N6 A 0 638 191.999 -2.471 40.398 1.00737.35 N ATOM 12515 N1 A 0 638 191.164 -0.736 39.127 1.00737.35 N ATOM 12516 C2 A 0 638 191.112 0.576 38.866 1.00737.35 C ATOM 12517 N3 A 0 638 191.742 1.580 39.472 1.00737.35 N ATOM 12518 C4 A 0 638 192.515 1.123 40.472 1.00737.35 C ATOM 12519 P G 0 639 191.558 5.206 45.243 1.00737.35 P ATOM 12520 O1P G 0 639 191.553 6.411 46.112 1.00737.35 O ATOM 12521 O2P G 0 639 191.655 3.860 45.863 1.00737.35 O ATOM 12522 O5* G 0 639 190.242 5.247 44.345 1.00737.35 O ATOM 12523 C5* G 0 639 190.071 6.253 43.347 1.00737.35 C ATOM 12524 C4* G 0 639 188.954 5.874 42.402 1.00737.35 C ATOM 12525 O4* G 0 639 189.217 4.550 41.861 1.00737.35 O ATOM 12526 C3* G 0 639 187.571 5.754 43.018 1.00737.35 C ATOM 12527 O3* G 0 639 186.939 7.031 43.099 1.00737.35 O ATOM 12528 C2* G 0 639 186.865 4.829 42.035 1.00737.35 C ATOM 12529 O2* G 0 639 186.420 5.487 40.867 1.00737.35 O ATOM 12530 C1* G 0 639 187.992 3.857 41.680 1.00737.35 C ATOM 12531 N9 G 0 639 188.000 2.663 42.522 1.00737.35 N ATOM 12532 C8 G 0 639 188.782 2.429 43.630 1.00737.35 C ATOM 12533 N7 G 0 639 188.552 1.270 44.183 1.00737.35 N ATOM 12534 C5 G 0 639 187.562 0.700 43.393 1.00737.35 C ATOM 12535 C6 G 0 639 186.905 -0.554 43.503 1.00737.35 C ATOM 12536 O6 G 0 639 187.074 -1.442 44.346 1.00737.35 O ATOM 12537 N1 G 0 639 185.966 -0.730 42.490 1.00737.35 N ATOM 12538 C2 G 0 639 185.693 0.182 41.501 1.00737.35 C ATOM 12539 N2 G 0 639 184.751 -0.172 40.616 1.00737.35 N ATOM 12540 N3 G 0 639 186.296 1.353 41.389 1.00737.35 N ATOM 12541 C4 G 0 639 187.213 1.545 42.361 1.00737.35 C ATOM 12542 P C 0 640 185.679 7.238 44.076 1.00737.35 P ATOM 12543 O1P C 0 640 185.394 8.695 44.125 1.00737.35 O ATOM 12544 O2P C 0 640 185.929 6.498 45.340 1.00737.35 O ATOM 12545 O5* C 0 640 184.477 6.521 43.310 1.00737.35 O ATOM 12546 C5* C 0 640 184.062 6.966 42.020 1.00737.35 C ATOM 12547 C4* C 0 640 183.000 6.048 41.462 1.00737.35 C ATOM 12548 O4* C 0 640 183.553 4.716 41.289 1.00737.35 O ATOM 12549 C3* C 0 640 181.780 5.838 42.345 1.00737.35 C ATOM 12550 O3* C 0 640 180.837 6.887 42.153 1.00737.35 O ATOM 12551 C2* C 0 640 181.254 4.492 41.857 1.00737.35 C ATOM 12552 O2* C 0 640 180.484 4.593 40.677 1.00737.35 O ATOM 12553 C1* C 0 640 182.557 3.744 41.562 1.00737.35 C ATOM 12554 N1 C 0 640 183.020 2.892 42.677 1.00737.35 N ATOM 12555 C2 C 0 640 182.568 1.561 42.753 1.00737.35 C ATOM 12556 O2 C 0 640 181.792 1.131 41.882 1.00737.35 O ATOM 12557 N3 C 0 640 182.992 0.780 43.774 1.00737.35 N ATOM 12558 C4 C 0 640 183.827 1.272 44.690 1.00737.35 C ATOM 12559 N4 C 0 640 184.219 0.465 45.680 1.00737.35 N ATOM 12560 C5 C 0 640 184.299 2.616 44.639 1.00737.35 C ATOM 12561 C6 C 0 640 183.874 3.382 43.627 1.00737.35 C ATOM 12562 P G 0 641 179.920 7.369 43.383 1.00737.35 P ATOM 12563 O1P G 0 641 179.167 8.566 42.928 1.00737.35 O ATOM 12564 O2P G 0 641 180.767 7.459 44.601 1.00737.35 O ATOM 12565 O5* G 0 641 178.885 6.174 43.583 1.00737.35 O ATOM 12566 C5* G 0 641 177.909 5.874 42.589 1.00737.35 C ATOM 12567 C4* G 0 641 177.219 4.570 42.909 1.00737.35 C ATOM 12568 O4* G 0 641 178.191 3.492 42.870 1.00737.35 O ATOM 12569 C3* G 0 641 176.604 4.476 44.297 1.00737.35 C ATOM 12570 O3* G 0 641 175.300 5.046 44.321 1.00737.35 O ATOM 12571 C2* G 0 641 176.576 2.971 44.536 1.00737.35 C ATOM 12572 O2* G 0 641 175.484 2.327 43.908 1.00737.35 O ATOM 12573 C1* G 0 641 177.885 2.537 43.873 1.00737.35 C ATOM 12574 N9 G 0 641 179.011 2.468 44.802 1.00737.35 N ATOM 12575 C8 G 0 641 179.833 3.498 45.194 1.00737.35 C ATOM 12576 N7 G 0 641 180.754 3.128 46.043 1.00737.35 N ATOM 12577 C5 G 0 641 180.530 1.771 46.221 1.00737.35 C ATOM 12578 C6 G 0 641 181.213 0.826 47.030 1.00737.35 C ATOM 12579 O6 G 0 641 182.185 1.006 47.773 1.00737.35 O ATOM 12580 N1 G 0 641 180.655 -0.444 46.914 1.00737.35 N ATOM 12581 C2 G 0 641 179.578 -0.766 46.126 1.00737.35 C ATOM 12582 N2 G 0 641 179.190 -2.048 46.149 1.00737.35 N ATOM 12583 N3 G 0 641 178.932 0.106 45.367 1.00737.35 N ATOM 12584 C4 G 0 641 179.457 1.346 45.464 1.00737.35 C ATOM 12585 P A 0 642 174.790 5.815 45.638 1.00737.35 P ATOM 12586 O1P A 0 642 173.387 6.236 45.388 1.00737.35 O ATOM 12587 O2P A 0 642 175.805 6.833 46.011 1.00737.35 O ATOM 12588 O5* A 0 642 174.773 4.684 46.760 1.00737.35 O ATOM 12589 C5* A 0 642 174.590 5.015 48.135 1.00737.35 C ATOM 12590 C4* A 0 642 174.109 3.805 48.903 1.00737.35 C ATOM 12591 O4* A 0 642 172.806 3.407 48.399 1.00737.35 O ATOM 12592 C3* A 0 642 174.968 2.557 48.772 1.00737.35 C ATOM 12593 O3* A 0 642 176.040 2.577 49.711 1.00737.35 O ATOM 12594 C2* A 0 642 173.970 1.444 49.068 1.00737.35 C ATOM 12595 O2* A 0 642 173.749 1.245 50.450 1.00737.35 O ATOM 12596 C1* A 0 642 172.699 1.990 48.411 1.00737.35 C ATOM 12597 N9 A 0 642 172.502 1.533 47.036 1.00737.35 N ATOM 12598 C8 A 0 642 172.980 2.101 45.877 1.00737.35 C ATOM 12599 N7 A 0 642 172.631 1.456 44.791 1.00737.35 N ATOM 12600 C5 A 0 642 171.876 0.392 45.260 1.00737.35 C ATOM 12601 C6 A 0 642 171.216 -0.661 44.603 1.00737.35 C ATOM 12602 N6 A 0 642 171.213 -0.821 43.278 1.00737.35 N ATOM 12603 N1 A 0 642 170.551 -1.558 45.364 1.00737.35 N ATOM 12604 C2 A 0 642 170.555 -1.397 46.693 1.00737.35 C ATOM 12605 N3 A 0 642 171.136 -0.451 47.426 1.00737.35 N ATOM 12606 C4 A 0 642 171.789 0.426 46.641 1.00737.35 C ATOM 12607 P A 0 643 177.427 1.849 49.356 1.00737.35 P ATOM 12608 O1P A 0 643 178.362 2.106 50.482 1.00737.35 O ATOM 12609 O2P A 0 643 177.822 2.234 47.977 1.00737.35 O ATOM 12610 O5* A 0 643 177.064 0.297 49.354 1.00737.35 O ATOM 12611 C5* A 0 643 176.642 -0.357 50.551 1.00737.35 C ATOM 12612 C4* A 0 643 176.062 -1.718 50.229 1.00737.35 C ATOM 12613 O4* A 0 643 174.902 -1.547 49.369 1.00737.35 O ATOM 12614 C3* A 0 643 176.969 -2.667 49.459 1.00737.35 C ATOM 12615 O3* A 0 643 177.836 -3.373 50.342 1.00737.35 O ATOM 12616 C2* A 0 643 175.964 -3.590 48.782 1.00737.35 C ATOM 12617 O2* A 0 643 175.469 -4.598 49.641 1.00737.35 O ATOM 12618 C1* A 0 643 174.842 -2.610 48.432 1.00737.35 C ATOM 12619 N9 A 0 643 174.959 -2.049 47.085 1.00737.35 N ATOM 12620 C8 A 0 643 175.675 -0.943 46.688 1.00737.35 C ATOM 12621 N7 A 0 643 175.585 -0.689 45.406 1.00737.35 N ATOM 12622 C5 A 0 643 174.757 -1.692 44.924 1.00737.35 C ATOM 12623 C6 A 0 643 174.273 -1.982 43.635 1.00737.35 C ATOM 12624 N6 A 0 643 174.568 -1.256 42.553 1.00737.35 N ATOM 12625 N1 A 0 643 173.466 -3.054 43.494 1.00737.35 N ATOM 12626 C2 A 0 643 173.170 -3.780 44.579 1.00737.35 C ATOM 12627 N3 A 0 643 173.561 -3.610 45.839 1.00737.35 N ATOM 12628 C4 A 0 643 174.362 -2.536 45.946 1.00737.35 C ATOM 12629 P A 0 644 179.195 -4.025 49.776 1.00737.35 P ATOM 12630 O1P A 0 644 179.980 -4.493 50.950 1.00737.35 O ATOM 12631 O2P A 0 644 179.814 -3.076 48.816 1.00737.35 O ATOM 12632 O5* A 0 644 178.703 -5.304 48.964 1.00737.35 O ATOM 12633 C5* A 0 644 178.073 -6.397 49.630 1.00737.35 C ATOM 12634 C4* A 0 644 177.433 -7.330 48.628 1.00737.35 C ATOM 12635 O4* A 0 644 176.429 -6.600 47.874 1.00737.35 O ATOM 12636 C3* A 0 644 178.354 -7.904 47.564 1.00737.35 C ATOM 12637 O3* A 0 644 179.026 -9.067 48.037 1.00737.35 O ATOM 12638 C2* A 0 644 177.376 -8.248 46.447 1.00737.35 C ATOM 12639 O2* A 0 644 176.706 -9.476 46.654 1.00737.35 O ATOM 12640 C1* A 0 644 176.380 -7.092 46.544 1.00737.35 C ATOM 12641 N9 A 0 644 176.680 -5.991 45.625 1.00737.35 N ATOM 12642 C8 A 0 644 177.437 -4.866 45.862 1.00737.35 C ATOM 12643 N7 A 0 644 177.524 -4.062 44.831 1.00737.35 N ATOM 12644 C5 A 0 644 176.777 -4.695 43.848 1.00737.35 C ATOM 12645 C6 A 0 644 176.479 -4.352 42.517 1.00737.35 C ATOM 12646 N6 A 0 644 176.919 -3.241 41.925 1.00737.35 N ATOM 12647 N1 A 0 644 175.707 -5.204 41.808 1.00737.35 N ATOM 12648 C2 A 0 644 175.268 -6.318 42.403 1.00737.35 C ATOM 12649 N3 A 0 644 175.478 -6.749 43.644 1.00737.35 N ATOM 12650 C4 A 0 644 176.251 -5.885 44.323 1.00737.35 C ATOM 12651 P G 0 645 180.604 -9.252 47.769 1.00737.35 P ATOM 12652 O1P G 0 645 180.936 -10.671 48.055 1.00737.35 O ATOM 12653 O2P G 0 645 181.326 -8.171 48.488 1.00737.35 O ATOM 12654 O5* G 0 645 180.777 -9.007 46.203 1.00737.35 O ATOM 12655 C5* G 0 645 179.991 -9.725 45.254 1.00737.35 C ATOM 12656 C4* G 0 645 179.929 -8.965 43.948 1.00737.35 C ATOM 12657 O4* G 0 645 179.413 -7.630 44.206 1.00737.35 O ATOM 12658 C3* G 0 645 181.261 -8.731 43.257 1.00737.35 C ATOM 12659 O3* G 0 645 181.611 -9.845 42.438 1.00737.35 O ATOM 12660 C2* G 0 645 180.979 -7.480 42.431 1.00737.35 C ATOM 12661 O2* G 0 645 180.269 -7.751 41.239 1.00737.35 O ATOM 12662 C1* G 0 645 180.090 -6.686 43.390 1.00737.35 C ATOM 12663 N9 G 0 645 180.841 -5.782 44.258 1.00737.35 N ATOM 12664 C8 G 0 645 181.389 -6.075 45.485 1.00737.35 C ATOM 12665 N7 G 0 645 182.009 -5.062 46.027 1.00737.35 N ATOM 12666 C5 G 0 645 181.859 -4.035 45.108 1.00737.35 C ATOM 12667 C6 G 0 645 182.320 -2.693 45.145 1.00737.35 C ATOM 12668 O6 G 0 645 182.974 -2.128 46.031 1.00737.35 O ATOM 12669 N1 G 0 645 181.949 -1.991 44.005 1.00737.35 N ATOM 12670 C2 G 0 645 181.225 -2.509 42.959 1.00737.35 C ATOM 12671 N2 G 0 645 180.966 -1.666 41.947 1.00737.35 N ATOM 12672 N3 G 0 645 180.789 -3.758 42.909 1.00737.35 N ATOM 12673 C4 G 0 645 181.139 -4.459 44.009 1.00737.35 C ATOM 12674 P C 0 646 183.147 -10.080 42.018 1.00737.35 P ATOM 12675 O1P C 0 646 183.227 -11.425 41.388 1.00737.35 O ATOM 12676 O2P C 0 646 184.013 -9.766 43.182 1.00737.35 O ATOM 12677 O5* C 0 646 183.411 -8.988 40.889 1.00737.35 O ATOM 12678 C5* C 0 646 182.659 -8.991 39.676 1.00737.35 C ATOM 12679 C4* C 0 646 182.808 -7.668 38.960 1.00737.35 C ATOM 12680 O4* C 0 646 182.333 -6.604 39.827 1.00737.35 O ATOM 12681 C3* C 0 646 184.230 -7.258 38.604 1.00737.35 C ATOM 12682 O3* C 0 646 184.628 -7.837 37.364 1.00737.35 O ATOM 12683 C2* C 0 646 184.108 -5.743 38.503 1.00737.35 C ATOM 12684 O2* C 0 646 183.574 -5.311 37.267 1.00737.35 O ATOM 12685 C1* C 0 646 183.117 -5.438 39.628 1.00737.35 C ATOM 12686 N1 C 0 646 183.765 -5.075 40.905 1.00737.35 N ATOM 12687 C2 C 0 646 184.071 -3.726 41.150 1.00737.35 C ATOM 12688 O2 C 0 646 183.787 -2.872 40.294 1.00737.35 O ATOM 12689 N3 C 0 646 184.669 -3.387 42.317 1.00737.35 N ATOM 12690 C4 C 0 646 184.960 -4.330 43.216 1.00737.35 C ATOM 12691 N4 C 0 646 185.551 -3.949 44.352 1.00737.35 N ATOM 12692 C5 C 0 646 184.660 -5.705 42.994 1.00737.35 C ATOM 12693 C6 C 0 646 184.067 -6.029 41.837 1.00737.35 C ATOM 12694 P G 0 647 186.185 -8.137 37.085 1.00737.35 P ATOM 12695 O1P G 0 647 186.287 -8.696 35.712 1.00737.35 O ATOM 12696 O2P G 0 647 186.724 -8.911 38.233 1.00737.35 O ATOM 12697 O5* G 0 647 186.870 -6.698 37.089 1.00737.35 O ATOM 12698 C5* G 0 647 186.497 -5.703 36.136 1.00737.35 C ATOM 12699 C4* G 0 647 187.044 -4.354 36.544 1.00737.35 C ATOM 12700 O4* G 0 647 186.503 -3.993 37.844 1.00737.35 O ATOM 12701 C3* G 0 647 188.553 -4.278 36.721 1.00737.35 C ATOM 12702 O3* G 0 647 189.198 -4.021 35.475 1.00737.35 O ATOM 12703 C2* G 0 647 188.708 -3.122 37.703 1.00737.35 C ATOM 12704 O2* G 0 647 188.626 -1.852 37.086 1.00737.35 O ATOM 12705 C1* G 0 647 187.497 -3.335 38.613 1.00737.35 C ATOM 12706 N9 G 0 647 187.786 -4.153 39.790 1.00737.35 N ATOM 12707 C8 G 0 647 187.467 -5.478 39.982 1.00737.35 C ATOM 12708 N7 G 0 647 187.853 -5.936 41.141 1.00737.35 N ATOM 12709 C5 G 0 647 188.463 -4.852 41.755 1.00737.35 C ATOM 12710 C6 G 0 647 189.073 -4.745 43.030 1.00737.35 C ATOM 12711 O6 G 0 647 189.200 -5.615 43.901 1.00737.35 O ATOM 12712 N1 G 0 647 189.569 -3.463 43.253 1.00737.35 N ATOM 12713 C2 G 0 647 189.487 -2.421 42.367 1.00737.35 C ATOM 12714 N2 G 0 647 190.027 -1.261 42.768 1.00737.35 N ATOM 12715 N3 G 0 647 188.919 -2.506 41.174 1.00737.35 N ATOM 12716 C4 G 0 647 188.431 -3.744 40.935 1.00737.35 C ATOM 12717 P A 0 648 190.803 -4.098 35.367 1.00737.35 P ATOM 12718 O1P A 0 648 191.125 -4.570 33.995 1.00737.35 O ATOM 12719 O2P A 0 648 191.332 -4.843 36.541 1.00737.35 O ATOM 12720 O5* A 0 648 191.263 -2.576 35.503 1.00737.35 O ATOM 12721 C5* A 0 648 191.355 -1.729 34.359 1.00737.35 C ATOM 12722 C4* A 0 648 191.088 -0.293 34.743 1.00737.35 C ATOM 12723 O4* A 0 648 191.974 0.088 35.827 1.00737.35 O ATOM 12724 C3* A 0 648 191.367 0.733 33.656 1.00737.35 C ATOM 12725 O3* A 0 648 190.246 0.880 32.786 1.00737.35 O ATOM 12726 C2* A 0 648 191.603 2.005 34.465 1.00737.35 C ATOM 12727 O2* A 0 648 190.406 2.651 34.848 1.00737.35 O ATOM 12728 C1* A 0 648 192.315 1.458 35.705 1.00737.35 C ATOM 12729 N9 A 0 648 193.773 1.571 35.655 1.00737.35 N ATOM 12730 C8 A 0 648 194.654 0.883 34.854 1.00737.35 C ATOM 12731 N7 A 0 648 195.908 1.215 35.044 1.00737.35 N ATOM 12732 C5 A 0 648 195.851 2.186 36.034 1.00737.35 C ATOM 12733 C6 A 0 648 196.848 2.938 36.679 1.00737.35 C ATOM 12734 N6 A 0 648 198.151 2.826 36.410 1.00737.35 N ATOM 12735 N1 A 0 648 196.456 3.821 37.623 1.00737.35 N ATOM 12736 C2 A 0 648 195.151 3.933 37.891 1.00737.35 C ATOM 12737 N3 A 0 648 194.119 3.285 37.353 1.00737.35 N ATOM 12738 C4 A 0 648 194.542 2.415 36.421 1.00737.35 C ATOM 12739 P G 0 649 190.190 0.063 31.400 1.00737.35 P ATOM 12740 O1P G 0 649 191.575 -0.340 31.041 1.00737.35 O ATOM 12741 O2P G 0 649 189.387 0.856 30.434 1.00737.35 O ATOM 12742 O5* G 0 649 189.379 -1.256 31.776 1.00737.35 O ATOM 12743 C5* G 0 649 187.952 -1.258 31.818 1.00737.35 C ATOM 12744 C4* G 0 649 187.469 -1.125 33.243 1.00737.35 C ATOM 12745 O4* G 0 649 187.976 0.120 33.795 1.00737.35 O ATOM 12746 C3* G 0 649 185.960 -1.032 33.420 1.00737.35 C ATOM 12747 O3* G 0 649 185.371 -2.330 33.478 1.00737.35 O ATOM 12748 C2* G 0 649 185.836 -0.280 34.739 1.00737.35 C ATOM 12749 O2* G 0 649 186.032 -1.105 35.870 1.00737.35 O ATOM 12750 C1* G 0 649 186.992 0.715 34.625 1.00737.35 C ATOM 12751 N9 G 0 649 186.606 1.992 34.032 1.00737.35 N ATOM 12752 C8 G 0 649 186.377 2.255 32.702 1.00737.35 C ATOM 12753 N7 G 0 649 186.041 3.495 32.473 1.00737.35 N ATOM 12754 C5 G 0 649 186.047 4.091 33.728 1.00737.35 C ATOM 12755 C6 G 0 649 185.763 5.427 34.113 1.00737.35 C ATOM 12756 O6 G 0 649 185.439 6.383 33.398 1.00737.35 O ATOM 12757 N1 G 0 649 185.888 5.599 35.488 1.00737.35 N ATOM 12758 C2 G 0 649 186.245 4.616 36.379 1.00737.35 C ATOM 12759 N2 G 0 649 186.320 4.985 37.665 1.00737.35 N ATOM 12760 N3 G 0 649 186.512 3.368 36.035 1.00737.35 N ATOM 12761 C4 G 0 649 186.393 3.177 34.703 1.00737.35 C ATOM 12762 P U 0 650 183.793 -2.504 33.210 1.00737.35 P ATOM 12763 O1P U 0 650 183.535 -3.959 33.050 1.00737.35 O ATOM 12764 O2P U 0 650 183.383 -1.566 32.132 1.00737.35 O ATOM 12765 O5* U 0 650 183.116 -2.028 34.570 1.00737.35 O ATOM 12766 C5* U 0 650 183.440 -2.655 35.809 1.00737.35 C ATOM 12767 C4* U 0 650 182.894 -1.854 36.969 1.00737.35 C ATOM 12768 O4* U 0 650 183.455 -0.514 36.929 1.00737.35 O ATOM 12769 C3* U 0 650 181.389 -1.632 36.978 1.00737.35 C ATOM 12770 O3* U 0 650 180.720 -2.744 37.569 1.00737.35 O ATOM 12771 C2* U 0 650 181.256 -0.369 37.821 1.00737.35 C ATOM 12772 O2* U 0 650 181.317 -0.616 39.211 1.00737.35 O ATOM 12773 C1* U 0 650 182.491 0.423 37.380 1.00737.35 C ATOM 12774 N1 U 0 650 182.216 1.384 36.295 1.00737.35 N ATOM 12775 C2 U 0 650 181.790 2.656 36.648 1.00737.35 C ATOM 12776 O2 U 0 650 181.632 3.012 37.806 1.00737.35 O ATOM 12777 N3 U 0 650 181.552 3.500 35.590 1.00737.35 N ATOM 12778 C4 U 0 650 181.695 3.215 34.248 1.00737.35 C ATOM 12779 O4 U 0 650 181.440 4.083 33.413 1.00737.35 O ATOM 12780 C5 U 0 650 182.138 1.885 33.965 1.00737.35 C ATOM 12781 C6 U 0 650 182.379 1.036 34.970 1.00737.35 C ATOM 12782 P C 0 651 179.121 -2.871 37.448 1.00737.35 P ATOM 12783 O1P C 0 651 178.748 -4.214 37.962 1.00737.35 O ATOM 12784 O2P C 0 651 178.712 -2.472 36.076 1.00737.35 O ATOM 12785 O5* C 0 651 178.576 -1.785 38.479 1.00737.35 O ATOM 12786 C5* C 0 651 177.259 -1.254 38.366 1.00737.35 C ATOM 12787 C4* C 0 651 177.111 -0.037 39.248 1.00737.35 C ATOM 12788 O4* C 0 651 178.178 0.903 38.945 1.00737.35 O ATOM 12789 C3* C 0 651 175.832 0.762 39.053 1.00737.35 C ATOM 12790 O3* C 0 651 174.762 0.227 39.829 1.00737.35 O ATOM 12791 C2* C 0 651 176.243 2.148 39.535 1.00737.35 C ATOM 12792 O2* C 0 651 176.217 2.278 40.943 1.00737.35 O ATOM 12793 C1* C 0 651 177.686 2.229 39.030 1.00737.35 C ATOM 12794 N1 C 0 651 177.818 2.871 37.706 1.00737.35 N ATOM 12795 C2 C 0 651 177.925 4.271 37.633 1.00737.35 C ATOM 12796 O2 C 0 651 177.906 4.938 38.681 1.00737.35 O ATOM 12797 N3 C 0 651 178.046 4.859 36.420 1.00737.35 N ATOM 12798 C4 C 0 651 178.063 4.115 35.313 1.00737.35 C ATOM 12799 N4 C 0 651 178.187 4.741 34.141 1.00737.35 N ATOM 12800 C5 C 0 651 177.954 2.695 35.357 1.00737.35 C ATOM 12801 C6 C 0 651 177.833 2.120 36.560 1.00737.35 C ATOM 12802 P C 0 652 173.325 -0.029 39.148 1.00737.35 P ATOM 12803 O1P C 0 652 172.529 -0.839 40.106 1.00737.35 O ATOM 12804 O2P C 0 652 173.536 -0.532 37.765 1.00737.35 O ATOM 12805 O5* C 0 652 172.652 1.416 39.059 1.00737.35 O ATOM 12806 C5* C 0 652 173.279 2.474 38.337 1.00737.35 C ATOM 12807 C4* C 0 652 172.246 3.437 37.802 1.00737.35 C ATOM 12808 O4* C 0 652 172.929 4.547 37.167 1.00737.35 O ATOM 12809 C3* C 0 652 171.332 2.871 36.724 1.00737.35 C ATOM 12810 O3* C 0 652 170.196 2.232 37.304 1.00737.35 O ATOM 12811 C2* C 0 652 170.939 4.120 35.945 1.00737.35 C ATOM 12812 O2* C 0 652 169.896 4.854 36.558 1.00737.35 O ATOM 12813 C1* C 0 652 172.237 4.929 35.989 1.00737.35 C ATOM 12814 N1 C 0 652 173.122 4.700 34.828 1.00737.35 N ATOM 12815 C2 C 0 652 173.006 5.538 33.707 1.00737.35 C ATOM 12816 O2 C 0 652 172.165 6.452 33.714 1.00737.35 O ATOM 12817 N3 C 0 652 173.817 5.329 32.644 1.00737.35 N ATOM 12818 C4 C 0 652 174.714 4.341 32.667 1.00737.35 C ATOM 12819 N4 C 0 652 175.493 4.174 31.597 1.00737.35 N ATOM 12820 C5 C 0 652 174.851 3.477 33.791 1.00737.35 C ATOM 12821 C6 C 0 652 174.045 3.690 34.839 1.00737.35 C ATOM 12822 P G 0 653 169.718 0.798 36.757 1.00737.35 P ATOM 12823 O1P G 0 653 168.381 0.528 37.341 1.00737.35 O ATOM 12824 O2P G 0 653 170.821 -0.173 36.966 1.00737.35 O ATOM 12825 O5* G 0 653 169.538 1.015 35.188 1.00737.35 O ATOM 12826 C5* G 0 653 168.639 1.997 34.675 1.00737.35 C ATOM 12827 C4* G 0 653 168.845 2.170 33.188 1.00737.35 C ATOM 12828 O4* G 0 653 170.213 2.600 32.951 1.00737.35 O ATOM 12829 C3* G 0 653 168.695 0.903 32.360 1.00737.35 C ATOM 12830 O3* G 0 653 167.332 0.679 32.009 1.00737.35 O ATOM 12831 C2* G 0 653 169.555 1.211 31.139 1.00737.35 C ATOM 12832 O2* G 0 653 168.898 2.024 30.188 1.00737.35 O ATOM 12833 C1* G 0 653 170.712 1.985 31.775 1.00737.35 C ATOM 12834 N9 G 0 653 171.846 1.141 32.144 1.00737.35 N ATOM 12835 C8 G 0 653 171.916 0.258 33.194 1.00737.35 C ATOM 12836 N7 G 0 653 173.063 -0.359 33.274 1.00737.35 N ATOM 12837 C5 G 0 653 173.800 0.148 32.212 1.00737.35 C ATOM 12838 C6 G 0 653 175.123 -0.144 31.789 1.00737.35 C ATOM 12839 O6 G 0 653 175.932 -0.937 32.284 1.00737.35 O ATOM 12840 N1 G 0 653 175.475 0.597 30.668 1.00737.35 N ATOM 12841 C2 G 0 653 174.664 1.506 30.032 1.00737.35 C ATOM 12842 N2 G 0 653 175.192 2.122 28.965 1.00737.35 N ATOM 12843 N3 G 0 653 173.429 1.785 30.415 1.00737.35 N ATOM 12844 C4 G 0 653 173.064 1.077 31.504 1.00737.35 C ATOM 12845 P A 0 654 166.697 -0.790 32.168 1.00737.35 P ATOM 12846 O1P A 0 654 165.353 -0.762 31.534 1.00737.35 O ATOM 12847 O2P A 0 654 166.829 -1.204 33.587 1.00737.35 O ATOM 12848 O5* A 0 654 167.645 -1.720 31.286 1.00737.35 O ATOM 12849 C5* A 0 654 167.719 -1.567 29.871 1.00737.35 C ATOM 12850 C4* A 0 654 169.147 -1.713 29.405 1.00737.35 C ATOM 12851 O4* A 0 654 169.665 -2.997 29.837 1.00737.35 O ATOM 12852 C3* A 0 654 169.353 -1.715 27.899 1.00737.35 C ATOM 12853 O3* A 0 654 169.434 -0.384 27.395 1.00737.35 O ATOM 12854 C2* A 0 654 170.687 -2.443 27.759 1.00737.35 C ATOM 12855 O2* A 0 654 171.802 -1.606 28.000 1.00737.35 O ATOM 12856 C1* A 0 654 170.584 -3.487 28.874 1.00737.35 C ATOM 12857 N9 A 0 654 170.124 -4.798 28.411 1.00737.35 N ATOM 12858 C8 A 0 654 168.834 -5.209 28.172 1.00737.35 C ATOM 12859 N7 A 0 654 168.746 -6.450 27.759 1.00737.35 N ATOM 12860 C5 A 0 654 170.063 -6.886 27.726 1.00737.35 C ATOM 12861 C6 A 0 654 170.643 -8.119 27.373 1.00737.35 C ATOM 12862 N6 A 0 654 169.942 -9.179 26.968 1.00737.35 N ATOM 12863 N1 A 0 654 171.988 -8.224 27.451 1.00737.35 N ATOM 12864 C2 A 0 654 172.691 -7.158 27.855 1.00737.35 C ATOM 12865 N3 A 0 654 172.262 -5.950 28.212 1.00737.35 N ATOM 12866 C4 A 0 654 170.922 -5.879 28.125 1.00737.35 C ATOM 12867 P A 0 655 168.643 0.016 26.054 1.00737.35 P ATOM 12868 O1P A 0 655 167.224 0.245 26.426 1.00737.35 O ATOM 12869 O2P A 0 655 168.972 -0.974 24.996 1.00737.35 O ATOM 12870 O5* A 0 655 169.280 1.417 25.641 1.00737.35 O ATOM 12871 C5* A 0 655 169.316 2.504 26.562 1.00737.35 C ATOM 12872 C4* A 0 655 170.743 2.832 26.935 1.00737.35 C ATOM 12873 O4* A 0 655 171.373 1.627 27.456 1.00737.35 O ATOM 12874 C3* A 0 655 171.653 3.266 25.796 1.00737.35 C ATOM 12875 O3* A 0 655 171.538 4.667 25.551 1.00737.35 O ATOM 12876 C2* A 0 655 173.031 2.896 26.329 1.00737.35 C ATOM 12877 O2* A 0 655 173.544 3.843 27.246 1.00737.35 O ATOM 12878 C1* A 0 655 172.732 1.584 27.050 1.00737.35 C ATOM 12879 N9 A 0 655 172.924 0.410 26.195 1.00737.35 N ATOM 12880 C8 A 0 655 172.021 -0.172 25.337 1.00737.35 C ATOM 12881 N7 A 0 655 172.496 -1.214 24.697 1.00737.35 N ATOM 12882 C5 A 0 655 173.798 -1.327 25.162 1.00737.35 C ATOM 12883 C6 A 0 655 174.831 -2.233 24.870 1.00737.35 C ATOM 12884 N6 A 0 655 174.710 -3.239 24.000 1.00737.35 N ATOM 12885 N1 A 0 655 176.012 -2.069 25.507 1.00737.35 N ATOM 12886 C2 A 0 655 176.134 -1.060 26.378 1.00737.35 C ATOM 12887 N3 A 0 655 175.237 -0.143 26.738 1.00737.35 N ATOM 12888 C4 A 0 655 174.074 -0.334 26.087 1.00737.35 C ATOM 12889 P U 0 656 172.256 5.318 24.264 1.00737.35 P ATOM 12890 O1P U 0 656 172.042 6.787 24.341 1.00737.35 O ATOM 12891 O2P U 0 656 171.822 4.574 23.055 1.00737.35 O ATOM 12892 O5* U 0 656 173.805 5.028 24.504 1.00737.35 O ATOM 12893 C5* U 0 656 174.807 5.650 23.704 1.00737.35 C ATOM 12894 C4* U 0 656 176.181 5.219 24.162 1.00737.35 C ATOM 12895 O4* U 0 656 176.293 3.777 24.043 1.00737.35 O ATOM 12896 C3* U 0 656 177.345 5.757 23.349 1.00737.35 C ATOM 12897 O3* U 0 656 177.721 7.051 23.807 1.00737.35 O ATOM 12898 C2* U 0 656 178.435 4.726 23.623 1.00737.35 C ATOM 12899 O2* U 0 656 179.090 4.927 24.860 1.00737.35 O ATOM 12900 C1* U 0 656 177.619 3.430 23.676 1.00737.35 C ATOM 12901 N1 U 0 656 177.584 2.706 22.393 1.00737.35 N ATOM 12902 C2 U 0 656 178.600 1.795 22.134 1.00737.35 C ATOM 12903 O2 U 0 656 179.511 1.570 22.916 1.00737.35 O ATOM 12904 N3 U 0 656 178.509 1.158 20.921 1.00737.35 N ATOM 12905 C4 U 0 656 177.533 1.328 19.962 1.00737.35 C ATOM 12906 O4 U 0 656 177.591 0.679 18.916 1.00737.35 O ATOM 12907 C5 U 0 656 176.521 2.281 20.301 1.00737.35 C ATOM 12908 C6 U 0 656 176.578 2.921 21.473 1.00737.35 C ATOM 12909 P A 0 657 178.152 8.182 22.749 1.00737.35 P ATOM 12910 O1P A 0 657 177.102 8.238 21.702 1.00737.35 O ATOM 12911 O2P A 0 657 179.563 7.934 22.359 1.00737.35 O ATOM 12912 O5* A 0 657 178.100 9.528 23.601 1.00737.35 O ATOM 12913 C5* A 0 657 177.515 10.716 23.070 1.00737.35 C ATOM 12914 C4* A 0 657 176.590 11.343 24.087 1.00737.35 C ATOM 12915 O4* A 0 657 175.530 10.400 24.407 1.00737.35 O ATOM 12916 C3* A 0 657 177.217 11.675 25.432 1.00737.35 C ATOM 12917 O3* A 0 657 177.859 12.949 25.399 1.00737.35 O ATOM 12918 C2* A 0 657 176.010 11.662 26.361 1.00737.35 C ATOM 12919 O2* A 0 657 175.250 12.853 26.305 1.00737.35 O ATOM 12920 C1* A 0 657 175.200 10.501 25.783 1.00737.35 C ATOM 12921 N9 A 0 657 175.497 9.215 26.421 1.00737.35 N ATOM 12922 C8 A 0 657 176.641 8.461 26.309 1.00737.35 C ATOM 12923 N7 A 0 657 176.614 7.355 27.006 1.00737.35 N ATOM 12924 C5 A 0 657 175.371 7.376 27.622 1.00737.35 C ATOM 12925 C6 A 0 657 174.736 6.480 28.499 1.00737.35 C ATOM 12926 N6 A 0 657 175.290 5.345 28.927 1.00737.35 N ATOM 12927 N1 A 0 657 173.494 6.797 28.927 1.00737.35 N ATOM 12928 C2 A 0 657 172.939 7.938 28.498 1.00737.35 C ATOM 12929 N3 A 0 657 173.436 8.860 27.676 1.00737.35 N ATOM 12930 C4 A 0 657 174.671 8.515 27.268 1.00737.35 C ATOM 12931 P G 0 658 179.061 13.261 26.421 1.00737.35 P ATOM 12932 O1P G 0 658 179.607 14.594 26.063 1.00737.35 O ATOM 12933 O2P G 0 658 179.966 12.084 26.460 1.00737.35 O ATOM 12934 O5* G 0 658 178.340 13.378 27.838 1.00737.35 O ATOM 12935 C5* G 0 658 177.495 14.489 28.137 1.00737.35 C ATOM 12936 C4* G 0 658 176.905 14.346 29.523 1.00737.35 C ATOM 12937 O4* G 0 658 176.023 13.196 29.559 1.00737.35 O ATOM 12938 C3* G 0 658 177.897 14.093 30.649 1.00737.35 C ATOM 12939 O3* G 0 658 178.471 15.313 31.109 1.00737.35 O ATOM 12940 C2* G 0 658 177.018 13.437 31.708 1.00737.35 C ATOM 12941 O2* G 0 658 176.274 14.371 32.465 1.00737.35 O ATOM 12942 C1* G 0 658 176.072 12.597 30.845 1.00737.35 C ATOM 12943 N9 G 0 658 176.501 11.207 30.695 1.00737.35 N ATOM 12944 C8 G 0 658 177.464 10.720 29.843 1.00737.35 C ATOM 12945 N7 G 0 658 177.626 9.431 29.935 1.00737.35 N ATOM 12946 C5 G 0 658 176.717 9.037 30.909 1.00737.35 C ATOM 12947 C6 G 0 658 176.433 7.752 31.438 1.00737.35 C ATOM 12948 O6 G 0 658 176.951 6.667 31.146 1.00737.35 O ATOM 12949 N1 G 0 658 175.437 7.805 32.406 1.00737.35 N ATOM 12950 C2 G 0 658 174.794 8.945 32.816 1.00737.35 C ATOM 12951 N2 G 0 658 173.858 8.791 33.765 1.00737.35 N ATOM 12952 N3 G 0 658 175.047 10.151 32.331 1.00737.35 N ATOM 12953 C4 G 0 658 176.013 10.122 31.388 1.00737.35 C ATOM 12954 P G 0 659 179.906 15.295 31.836 1.00737.35 P ATOM 12955 O1P G 0 659 180.346 16.708 31.971 1.00737.35 O ATOM 12956 O2P G 0 659 180.783 14.321 31.135 1.00737.35 O ATOM 12957 O5* G 0 659 179.593 14.726 33.292 1.00737.35 O ATOM 12958 C5* G 0 659 178.911 15.522 34.260 1.00737.35 C ATOM 12959 C4* G 0 659 178.923 14.839 35.608 1.00737.35 C ATOM 12960 O4* G 0 659 178.137 13.620 35.544 1.00737.35 O ATOM 12961 C3* G 0 659 180.284 14.381 36.108 1.00737.35 C ATOM 12962 O3* G 0 659 180.984 15.448 36.738 1.00737.35 O ATOM 12963 C2* G 0 659 179.912 13.279 37.093 1.00737.35 C ATOM 12964 O2* G 0 659 179.522 13.774 38.359 1.00737.35 O ATOM 12965 C1* G 0 659 178.708 12.638 36.396 1.00737.35 C ATOM 12966 N9 G 0 659 179.053 11.468 35.590 1.00737.35 N ATOM 12967 C8 G 0 659 179.463 11.453 34.278 1.00737.35 C ATOM 12968 N7 G 0 659 179.699 10.251 33.829 1.00737.35 N ATOM 12969 C5 G 0 659 179.426 9.421 34.908 1.00737.35 C ATOM 12970 C6 G 0 659 179.500 8.007 35.022 1.00737.35 C ATOM 12971 O6 G 0 659 179.832 7.180 34.163 1.00737.35 O ATOM 12972 N1 G 0 659 179.140 7.579 36.295 1.00737.35 N ATOM 12973 C2 G 0 659 178.751 8.400 37.326 1.00737.35 C ATOM 12974 N2 G 0 659 178.439 7.794 38.482 1.00737.35 N ATOM 12975 N3 G 0 659 178.676 9.718 37.232 1.00737.35 N ATOM 12976 C4 G 0 659 179.027 10.157 36.005 1.00737.35 C ATOM 12977 P G 0 660 182.583 15.544 36.601 1.00737.35 P ATOM 12978 O1P G 0 660 183.005 16.810 37.255 1.00737.35 O ATOM 12979 O2P G 0 660 182.952 15.296 35.183 1.00737.35 O ATOM 12980 O5* G 0 660 183.121 14.325 37.476 1.00737.35 O ATOM 12981 C5* G 0 660 183.062 14.360 38.901 1.00737.35 C ATOM 12982 C4* G 0 660 183.646 13.095 39.485 1.00737.35 C ATOM 12983 O4* G 0 660 182.825 11.961 39.100 1.00737.35 O ATOM 12984 C3* G 0 660 185.043 12.725 39.012 1.00737.35 C ATOM 12985 O3* G 0 660 186.036 13.421 39.761 1.00737.35 O ATOM 12986 C2* G 0 660 185.082 11.223 39.256 1.00737.35 C ATOM 12987 O2* G 0 660 185.360 10.888 40.602 1.00737.35 O ATOM 12988 C1* G 0 660 183.647 10.820 38.909 1.00737.35 C ATOM 12989 N9 G 0 660 183.484 10.359 37.532 1.00737.35 N ATOM 12990 C8 G 0 660 183.403 11.133 36.400 1.00737.35 C ATOM 12991 N7 G 0 660 183.257 10.434 35.308 1.00737.35 N ATOM 12992 C5 G 0 660 183.239 9.117 35.745 1.00737.35 C ATOM 12993 C6 G 0 660 183.104 7.908 35.012 1.00737.35 C ATOM 12994 O6 G 0 660 182.970 7.756 33.792 1.00737.35 O ATOM 12995 N1 G 0 660 183.138 6.797 35.849 1.00737.35 N ATOM 12996 C2 G 0 660 183.283 6.840 37.214 1.00737.35 C ATOM 12997 N2 G 0 660 183.291 5.657 37.844 1.00737.35 N ATOM 12998 N3 G 0 660 183.409 7.959 37.908 1.00737.35 N ATOM 12999 C4 G 0 660 183.378 9.051 37.115 1.00737.35 C ATOM 13000 P C 0 661 187.501 13.644 39.135 1.00737.35 P ATOM 13001 O1P C 0 661 188.186 14.662 39.974 1.00737.35 O ATOM 13002 O2P C 0 661 187.370 13.869 37.673 1.00737.35 O ATOM 13003 O5* C 0 661 188.230 12.244 39.360 1.00737.35 O ATOM 13004 C5* C 0 661 188.488 11.756 40.677 1.00737.35 C ATOM 13005 C4* C 0 661 189.077 10.366 40.618 1.00737.35 C ATOM 13006 O4* C 0 661 188.120 9.466 39.999 1.00737.35 O ATOM 13007 C3* C 0 661 190.335 10.212 39.776 1.00737.35 C ATOM 13008 O3* C 0 661 191.499 10.563 40.520 1.00737.35 O ATOM 13009 C2* C 0 661 190.311 8.726 39.434 1.00737.35 C ATOM 13010 O2* C 0 661 190.803 7.907 40.478 1.00737.35 O ATOM 13011 C1* C 0 661 188.814 8.483 39.245 1.00737.35 C ATOM 13012 N1 C 0 661 188.378 8.567 37.835 1.00737.35 N ATOM 13013 C2 C 0 661 188.464 7.420 37.029 1.00737.35 C ATOM 13014 O2 C 0 661 188.890 6.361 37.522 1.00737.35 O ATOM 13015 N3 C 0 661 188.077 7.494 35.735 1.00737.35 N ATOM 13016 C4 C 0 661 187.613 8.642 35.238 1.00737.35 C ATOM 13017 N4 C 0 661 187.237 8.662 33.957 1.00737.35 N ATOM 13018 C5 C 0 661 187.514 9.820 36.033 1.00737.35 C ATOM 13019 C6 C 0 661 187.903 9.742 37.312 1.00737.35 C ATOM 13020 P G 0 662 192.771 11.193 39.765 1.00737.35 P ATOM 13021 O1P G 0 662 193.841 11.375 40.778 1.00737.35 O ATOM 13022 O2P G 0 662 192.311 12.359 38.968 1.00737.35 O ATOM 13023 O5* G 0 662 193.228 10.049 38.754 1.00737.35 O ATOM 13024 C5* G 0 662 193.702 8.791 39.236 1.00737.35 C ATOM 13025 C4* G 0 662 193.894 7.827 38.084 1.00737.35 C ATOM 13026 O4* G 0 662 192.614 7.593 37.441 1.00737.35 O ATOM 13027 C3* G 0 662 194.801 8.309 36.963 1.00737.35 C ATOM 13028 O3* G 0 662 196.169 8.048 37.266 1.00737.35 O ATOM 13029 C2* G 0 662 194.314 7.486 35.779 1.00737.35 C ATOM 13030 O2* G 0 662 194.843 6.174 35.752 1.00737.35 O ATOM 13031 C1* G 0 662 192.806 7.433 36.042 1.00737.35 C ATOM 13032 N9 G 0 662 192.055 8.478 35.347 1.00737.35 N ATOM 13033 C8 G 0 662 191.817 9.760 35.785 1.00737.35 C ATOM 13034 N7 G 0 662 191.114 10.464 34.940 1.00737.35 N ATOM 13035 C5 G 0 662 190.876 9.599 33.883 1.00737.35 C ATOM 13036 C6 G 0 662 190.164 9.802 32.671 1.00737.35 C ATOM 13037 O6 G 0 662 189.585 10.821 32.278 1.00737.35 O ATOM 13038 N1 G 0 662 190.168 8.657 31.879 1.00737.35 N ATOM 13039 C2 G 0 662 190.774 7.471 32.207 1.00737.35 C ATOM 13040 N2 G 0 662 190.665 6.481 31.308 1.00737.35 N ATOM 13041 N3 G 0 662 191.440 7.269 33.333 1.00737.35 N ATOM 13042 C4 G 0 662 191.449 8.366 34.118 1.00737.35 C ATOM 13043 P G 0 663 197.312 9.013 36.683 1.00737.35 P ATOM 13044 O1P G 0 663 198.610 8.540 37.231 1.00737.35 O ATOM 13045 O2P G 0 663 196.896 10.422 36.899 1.00737.35 O ATOM 13046 O5* G 0 663 197.297 8.727 35.115 1.00737.35 O ATOM 13047 C5* G 0 663 197.805 7.501 34.585 1.00737.35 C ATOM 13048 C4* G 0 663 197.696 7.496 33.077 1.00737.35 C ATOM 13049 O4* G 0 663 196.296 7.529 32.696 1.00737.35 O ATOM 13050 C3* G 0 663 198.310 8.695 32.369 1.00737.35 C ATOM 13051 O3* G 0 663 199.705 8.506 32.159 1.00737.35 O ATOM 13052 C2* G 0 663 197.541 8.719 31.050 1.00737.35 C ATOM 13053 O2* G 0 663 198.038 7.802 30.099 1.00737.35 O ATOM 13054 C1* G 0 663 196.142 8.287 31.505 1.00737.35 C ATOM 13055 N9 G 0 663 195.243 9.404 31.779 1.00737.35 N ATOM 13056 C8 G 0 663 195.142 10.125 32.947 1.00737.35 C ATOM 13057 N7 G 0 663 194.244 11.069 32.890 1.00737.35 N ATOM 13058 C5 G 0 663 193.719 10.969 31.608 1.00737.35 C ATOM 13059 C6 G 0 663 192.708 11.732 30.967 1.00737.35 C ATOM 13060 O6 G 0 663 192.053 12.679 31.419 1.00737.35 O ATOM 13061 N1 G 0 663 192.486 11.293 29.665 1.00737.35 N ATOM 13062 C2 G 0 663 193.150 10.258 29.056 1.00737.35 C ATOM 13063 N2 G 0 663 192.793 9.987 27.793 1.00737.35 N ATOM 13064 N3 G 0 663 194.094 9.540 29.643 1.00737.35 N ATOM 13065 C4 G 0 663 194.325 9.946 30.909 1.00737.35 C ATOM 13066 P C 0 664 200.740 9.655 32.594 1.00737.35 P ATOM 13067 O1P C 0 664 202.065 9.299 32.022 1.00737.35 O ATOM 13068 O2P C 0 664 200.609 9.869 34.057 1.00737.35 O ATOM 13069 O5* C 0 664 200.208 10.962 31.851 1.00737.35 O ATOM 13070 C5* C 0 664 200.243 11.067 30.429 1.00737.35 C ATOM 13071 C4* C 0 664 199.528 12.321 29.979 1.00737.35 C ATOM 13072 O4* C 0 664 198.130 12.234 30.357 1.00737.35 O ATOM 13073 C3* C 0 664 200.016 13.618 30.606 1.00737.35 C ATOM 13074 O3* C 0 664 201.125 14.136 29.879 1.00737.35 O ATOM 13075 C2* C 0 664 198.789 14.519 30.480 1.00737.35 C ATOM 13076 O2* C 0 664 198.661 15.106 29.199 1.00737.35 O ATOM 13077 C1* C 0 664 197.650 13.524 30.707 1.00737.35 C ATOM 13078 N1 C 0 664 197.154 13.482 32.098 1.00737.35 N ATOM 13079 C2 C 0 664 196.080 14.312 32.460 1.00737.35 C ATOM 13080 O2 C 0 664 195.574 15.059 31.606 1.00737.35 O ATOM 13081 N3 C 0 664 195.620 14.278 33.731 1.00737.35 N ATOM 13082 C4 C 0 664 196.187 13.466 34.626 1.00737.35 C ATOM 13083 N4 C 0 664 195.700 13.467 35.869 1.00737.35 N ATOM 13084 C5 C 0 664 197.280 12.614 34.284 1.00737.35 C ATOM 13085 C6 C 0 664 197.725 12.654 33.025 1.00737.35 C ATOM 13086 P A 0 665 202.513 14.432 30.635 1.00737.35 P ATOM 13087 O1P A 0 665 203.523 14.699 29.579 1.00737.35 O ATOM 13088 O2P A 0 665 202.757 13.348 31.621 1.00737.35 O ATOM 13089 O5* A 0 665 202.250 15.788 31.434 1.00737.35 O ATOM 13090 C5* A 0 665 203.275 16.775 31.553 1.00737.35 C ATOM 13091 C4* A 0 665 202.980 17.720 32.698 1.00737.35 C ATOM 13092 O4* A 0 665 201.739 18.430 32.437 1.00737.35 O ATOM 13093 C3* A 0 665 202.761 17.084 34.061 1.00737.35 C ATOM 13094 O3* A 0 665 204.007 16.813 34.704 1.00737.35 O ATOM 13095 C2* A 0 665 201.964 18.157 34.792 1.00737.35 C ATOM 13096 O2* A 0 665 202.771 19.196 35.311 1.00737.35 O ATOM 13097 C1* A 0 665 201.083 18.704 33.665 1.00737.35 C ATOM 13098 N9 A 0 665 199.750 18.100 33.624 1.00737.35 N ATOM 13099 C8 A 0 665 199.337 16.990 32.924 1.00737.35 C ATOM 13100 N7 A 0 665 198.071 16.697 33.096 1.00737.35 N ATOM 13101 C5 A 0 665 197.617 17.675 33.969 1.00737.35 C ATOM 13102 C6 A 0 665 196.356 17.922 34.540 1.00737.35 C ATOM 13103 N6 A 0 665 195.278 17.167 34.311 1.00737.35 N ATOM 13104 N1 A 0 665 196.236 18.983 35.367 1.00737.35 N ATOM 13105 C2 A 0 665 197.317 19.738 35.597 1.00737.35 C ATOM 13106 N3 A 0 665 198.555 19.610 35.120 1.00737.35 N ATOM 13107 C4 A 0 665 198.638 18.547 34.301 1.00737.35 C ATOM 13108 P U 0 666 204.068 15.768 35.928 1.00737.35 P ATOM 13109 O1P U 0 666 202.950 16.078 36.853 1.00737.35 O ATOM 13110 O2P U 0 666 205.462 15.764 36.443 1.00737.35 O ATOM 13111 O5* U 0 666 203.791 14.344 35.267 1.00737.35 O ATOM 13112 C5* U 0 666 202.573 14.070 34.572 1.00737.35 C ATOM 13113 C4* U 0 666 201.886 12.864 35.171 1.00737.35 C ATOM 13114 O4* U 0 666 202.803 11.739 35.148 1.00737.35 O ATOM 13115 C3* U 0 666 201.490 12.999 36.634 1.00737.35 C ATOM 13116 O3* U 0 666 200.216 13.626 36.764 1.00737.35 O ATOM 13117 C2* U 0 666 201.448 11.547 37.092 1.00737.35 C ATOM 13118 O2* U 0 666 200.247 10.886 36.742 1.00737.35 O ATOM 13119 C1* U 0 666 202.619 10.944 36.309 1.00737.35 C ATOM 13120 N1 U 0 666 203.882 10.915 37.066 1.00737.35 N ATOM 13121 C2 U 0 666 204.210 9.742 37.734 1.00737.35 C ATOM 13122 O2 U 0 666 203.508 8.743 37.717 1.00737.35 O ATOM 13123 N3 U 0 666 205.395 9.786 38.428 1.00737.35 N ATOM 13124 C4 U 0 666 206.269 10.851 38.520 1.00737.35 C ATOM 13125 O4 U 0 666 207.295 10.735 39.191 1.00737.35 O ATOM 13126 C5 U 0 666 205.864 12.020 37.803 1.00737.35 C ATOM 13127 C6 U 0 666 204.714 12.013 37.118 1.00737.35 C ATOM 13128 P U 0 667 200.042 14.896 37.739 1.00737.35 P ATOM 13129 O1P U 0 667 198.738 14.738 38.432 1.00737.35 O ATOM 13130 O2P U 0 667 200.306 16.128 36.951 1.00737.35 O ATOM 13131 O5* U 0 667 201.197 14.721 38.820 1.00737.35 O ATOM 13132 C5* U 0 667 201.552 15.782 39.705 1.00737.35 C ATOM 13133 C4* U 0 667 202.884 15.487 40.354 1.00737.35 C ATOM 13134 O4* U 0 667 203.268 16.588 41.218 1.00737.35 O ATOM 13135 C3* U 0 667 202.897 14.276 41.271 1.00737.35 C ATOM 13136 O3* U 0 667 203.069 13.075 40.522 1.00737.35 O ATOM 13137 C2* U 0 667 204.088 14.567 42.175 1.00737.35 C ATOM 13138 O2* U 0 667 205.331 14.246 41.581 1.00737.35 O ATOM 13139 C1* U 0 667 203.972 16.086 42.345 1.00737.35 C ATOM 13140 N1 U 0 667 203.257 16.485 43.568 1.00737.35 N ATOM 13141 C2 U 0 667 203.986 16.579 44.748 1.00737.35 C ATOM 13142 O2 U 0 667 205.183 16.346 44.810 1.00737.35 O ATOM 13143 N3 U 0 667 203.260 16.954 45.850 1.00737.35 N ATOM 13144 C4 U 0 667 201.911 17.240 45.902 1.00737.35 C ATOM 13145 O4 U 0 667 201.402 17.565 46.976 1.00737.35 O ATOM 13146 C5 U 0 667 201.227 17.123 44.651 1.00737.35 C ATOM 13147 C6 U 0 667 201.905 16.760 43.555 1.00737.35 C ATOM 13148 P A 0 668 202.115 11.815 40.814 1.00737.35 P ATOM 13149 O1P A 0 668 202.472 10.746 39.849 1.00737.35 O ATOM 13150 O2P A 0 668 200.711 12.294 40.891 1.00737.35 O ATOM 13151 O5* A 0 668 202.562 11.326 42.263 1.00737.35 O ATOM 13152 C5* A 0 668 201.720 10.477 43.039 1.00737.35 C ATOM 13153 C4* A 0 668 202.319 10.251 44.404 1.00737.35 C ATOM 13154 O4* A 0 668 203.532 9.463 44.283 1.00737.35 O ATOM 13155 C3* A 0 668 202.747 11.501 45.161 1.00737.35 C ATOM 13156 O3* A 0 668 201.604 12.103 45.778 1.00737.35 O ATOM 13157 C2* A 0 668 203.795 10.944 46.122 1.00737.35 C ATOM 13158 O2* A 0 668 203.234 10.319 47.261 1.00737.35 O ATOM 13159 C1* A 0 668 204.482 9.894 45.243 1.00737.35 C ATOM 13160 N9 A 0 668 205.654 10.402 44.523 1.00737.35 N ATOM 13161 C8 A 0 668 205.675 11.226 43.424 1.00737.35 C ATOM 13162 N7 A 0 668 206.880 11.507 42.995 1.00737.35 N ATOM 13163 C5 A 0 668 207.714 10.825 43.870 1.00737.35 C ATOM 13164 C6 A 0 668 209.114 10.716 43.951 1.00737.35 C ATOM 13165 N6 A 0 668 209.955 11.319 43.109 1.00737.35 N ATOM 13166 N1 A 0 668 209.627 9.956 44.942 1.00737.35 N ATOM 13167 C2 A 0 668 208.785 9.349 45.787 1.00737.35 C ATOM 13168 N3 A 0 668 207.454 9.375 45.815 1.00737.35 N ATOM 13169 C4 A 0 668 206.973 10.139 44.818 1.00737.35 C ATOM 13170 P G 0 669 201.774 13.080 47.048 1.00737.35 P ATOM 13171 O1P G 0 669 200.715 14.116 46.945 1.00737.35 O ATOM 13172 O2P G 0 669 203.194 13.495 47.192 1.00737.35 O ATOM 13173 O5* G 0 669 201.401 12.117 48.260 1.00737.35 O ATOM 13174 C5* G 0 669 201.443 12.556 49.610 1.00737.35 C ATOM 13175 C4* G 0 669 201.890 11.417 50.493 1.00737.35 C ATOM 13176 O4* G 0 669 203.273 11.104 50.181 1.00737.35 O ATOM 13177 C3* G 0 669 201.891 11.681 51.989 1.00737.35 C ATOM 13178 O3* G 0 669 200.597 11.434 52.533 1.00737.35 O ATOM 13179 C2* G 0 669 202.917 10.665 52.483 1.00737.35 C ATOM 13180 O2* G 0 669 202.391 9.355 52.582 1.00737.35 O ATOM 13181 C1* G 0 669 203.955 10.710 51.360 1.00737.35 C ATOM 13182 N9 G 0 669 205.041 11.656 51.606 1.00737.35 N ATOM 13183 C8 G 0 669 205.015 13.020 51.423 1.00737.35 C ATOM 13184 N7 G 0 669 206.143 13.600 51.733 1.00737.35 N ATOM 13185 C5 G 0 669 206.964 12.559 52.143 1.00737.35 C ATOM 13186 C6 G 0 669 208.309 12.576 52.597 1.00737.35 C ATOM 13187 O6 G 0 669 209.067 13.545 52.733 1.00737.35 O ATOM 13188 N1 G 0 669 208.754 11.296 52.913 1.00737.35 N ATOM 13189 C2 G 0 669 208.009 10.149 52.805 1.00737.35 C ATOM 13190 N2 G 0 669 208.624 9.008 53.157 1.00737.35 N ATOM 13191 N3 G 0 669 206.757 10.119 52.383 1.00737.35 N ATOM 13192 C4 G 0 669 206.299 11.351 52.072 1.00737.35 C ATOM 13193 P U 0 670 200.176 12.091 53.938 1.00737.35 P ATOM 13194 O1P U 0 670 198.747 11.757 54.169 1.00737.35 O ATOM 13195 O2P U 0 670 200.606 13.513 53.946 1.00737.35 O ATOM 13196 O5* U 0 670 201.051 11.300 55.011 1.00737.35 O ATOM 13197 C5* U 0 670 200.912 9.890 55.179 1.00737.35 C ATOM 13198 C4* U 0 670 202.105 9.330 55.919 1.00737.35 C ATOM 13199 O4* U 0 670 203.305 9.556 55.130 1.00737.35 O ATOM 13200 C3* U 0 670 202.403 9.980 57.259 1.00737.35 C ATOM 13201 O3* U 0 670 201.629 9.385 58.295 1.00737.35 O ATOM 13202 C2* U 0 670 203.896 9.720 57.425 1.00737.35 C ATOM 13203 O2* U 0 670 204.190 8.419 57.887 1.00737.35 O ATOM 13204 C1* U 0 670 204.389 9.883 55.984 1.00737.35 C ATOM 13205 N1 U 0 670 204.842 11.247 55.663 1.00737.35 N ATOM 13206 C2 U 0 670 206.197 11.526 55.768 1.00737.35 C ATOM 13207 O2 U 0 670 207.026 10.696 56.111 1.00737.35 O ATOM 13208 N3 U 0 670 206.549 12.816 55.454 1.00737.35 N ATOM 13209 C4 U 0 670 205.707 13.836 55.057 1.00737.35 C ATOM 13210 O4 U 0 670 206.180 14.945 54.801 1.00737.35 O ATOM 13211 C5 U 0 670 204.327 13.473 54.975 1.00737.35 C ATOM 13212 C6 U 0 670 203.950 12.226 55.271 1.00737.35 C ATOM 13213 P A 0 671 201.355 10.201 59.653 1.00737.35 P ATOM 13214 O1P A 0 671 200.422 9.387 60.475 1.00737.35 O ATOM 13215 O2P A 0 671 200.993 11.599 59.300 1.00737.35 O ATOM 13216 O5* A 0 671 202.776 10.219 60.374 1.00737.35 O ATOM 13217 C5* A 0 671 203.335 9.025 60.916 1.00737.35 C ATOM 13218 C4* A 0 671 204.743 9.278 61.404 1.00737.35 C ATOM 13219 O4* A 0 671 205.616 9.545 60.277 1.00737.35 O ATOM 13220 C3* A 0 671 204.923 10.487 62.307 1.00737.35 C ATOM 13221 O3* A 0 671 204.575 10.180 63.650 1.00737.35 O ATOM 13222 C2* A 0 671 206.409 10.788 62.145 1.00737.35 C ATOM 13223 O2* A 0 671 207.235 9.976 62.953 1.00737.35 O ATOM 13224 C1* A 0 671 206.634 10.454 60.668 1.00737.35 C ATOM 13225 N9 A 0 671 206.581 11.622 59.788 1.00737.35 N ATOM 13226 C8 A 0 671 205.480 12.202 59.206 1.00737.35 C ATOM 13227 N7 A 0 671 205.757 13.247 58.469 1.00737.35 N ATOM 13228 C5 A 0 671 207.137 13.370 58.570 1.00737.35 C ATOM 13229 C6 A 0 671 208.051 14.286 58.017 1.00737.35 C ATOM 13230 N6 A 0 671 207.695 15.295 57.218 1.00737.35 N ATOM 13231 N1 A 0 671 209.357 14.128 58.315 1.00737.35 N ATOM 13232 C2 A 0 671 209.713 13.116 59.117 1.00737.35 C ATOM 13233 N3 A 0 671 208.953 12.191 59.696 1.00737.35 N ATOM 13234 C4 A 0 671 207.657 12.375 59.379 1.00737.35 C ATOM 13235 P C 0 672 204.078 11.351 64.632 1.00737.35 P ATOM 13236 O1P C 0 672 203.681 10.715 65.913 1.00737.35 O ATOM 13237 O2P C 0 672 203.101 12.201 63.901 1.00737.35 O ATOM 13238 O5* C 0 672 205.394 12.212 64.889 1.00737.35 O ATOM 13239 C5* C 0 672 206.504 11.657 65.588 1.00737.35 C ATOM 13240 C4* C 0 672 207.689 12.595 65.531 1.00737.35 C ATOM 13241 O4* C 0 672 208.155 12.712 64.162 1.00737.35 O ATOM 13242 C3* C 0 672 207.420 14.030 65.950 1.00737.35 C ATOM 13243 O3* C 0 672 207.452 14.171 67.365 1.00737.35 O ATOM 13244 C2* C 0 672 208.563 14.779 65.271 1.00737.35 C ATOM 13245 O2* C 0 672 209.781 14.704 65.985 1.00737.35 O ATOM 13246 C1* C 0 672 208.686 14.012 63.950 1.00737.35 C ATOM 13247 N1 C 0 672 207.964 14.653 62.830 1.00737.35 N ATOM 13248 C2 C 0 672 208.639 15.603 62.046 1.00737.35 C ATOM 13249 O2 C 0 672 209.822 15.876 62.309 1.00737.35 O ATOM 13250 N3 C 0 672 207.985 16.200 61.025 1.00737.35 N ATOM 13251 C4 C 0 672 206.713 15.884 60.770 1.00737.35 C ATOM 13252 N4 C 0 672 206.110 16.501 59.750 1.00737.35 N ATOM 13253 C5 C 0 672 206.005 14.922 61.545 1.00737.35 C ATOM 13254 C6 C 0 672 206.660 14.335 62.555 1.00737.35 C ATOM 13255 P G 0 673 206.610 15.346 68.067 1.00737.35 P ATOM 13256 O1P G 0 673 206.749 15.174 69.536 1.00737.35 O ATOM 13257 O2P G 0 673 205.258 15.388 67.459 1.00737.35 O ATOM 13258 O5* G 0 673 207.389 16.671 67.643 1.00737.35 O ATOM 13259 C5* G 0 673 208.675 16.969 68.182 1.00737.35 C ATOM 13260 C4* G 0 673 209.214 18.250 67.588 1.00737.35 C ATOM 13261 O4* G 0 673 209.498 18.057 66.178 1.00737.35 O ATOM 13262 C3* G 0 673 208.273 19.443 67.613 1.00737.35 C ATOM 13263 O3* G 0 673 208.302 20.090 68.881 1.00737.35 O ATOM 13264 C2* G 0 673 208.842 20.324 66.505 1.00737.35 C ATOM 13265 O2* G 0 673 209.955 21.091 66.919 1.00737.35 O ATOM 13266 C1* G 0 673 209.288 19.276 65.479 1.00737.35 C ATOM 13267 N9 G 0 673 208.311 19.046 64.416 1.00737.35 N ATOM 13268 C8 G 0 673 207.311 18.101 64.390 1.00737.35 C ATOM 13269 N7 G 0 673 206.596 18.143 63.297 1.00737.35 N ATOM 13270 C5 G 0 673 207.158 19.176 62.558 1.00737.35 C ATOM 13271 C6 G 0 673 206.805 19.692 61.281 1.00737.35 C ATOM 13272 O6 G 0 673 205.897 19.326 60.526 1.00737.35 O ATOM 13273 N1 G 0 673 207.635 20.741 60.908 1.00737.35 N ATOM 13274 C2 G 0 673 208.673 21.236 61.661 1.00737.35 C ATOM 13275 N2 G 0 673 209.360 22.255 61.126 1.00737.35 N ATOM 13276 N3 G 0 673 209.010 20.765 62.849 1.00737.35 N ATOM 13277 C4 G 0 673 208.217 19.743 63.234 1.00737.35 C ATOM 13278 P U 0 674 207.007 20.898 69.392 1.00737.35 P ATOM 13279 O1P U 0 674 207.269 21.306 70.795 1.00737.35 O ATOM 13280 O2P U 0 674 205.796 20.099 69.073 1.00737.35 O ATOM 13281 O5* U 0 674 206.994 22.207 68.482 1.00737.35 O ATOM 13282 C5* U 0 674 207.971 23.230 68.660 1.00737.35 C ATOM 13283 C4* U 0 674 207.752 24.348 67.667 1.00737.35 C ATOM 13284 O4* U 0 674 208.008 23.866 66.321 1.00737.35 O ATOM 13285 C3* U 0 674 206.338 24.908 67.597 1.00737.35 C ATOM 13286 O3* U 0 674 206.111 25.865 68.626 1.00737.35 O ATOM 13287 C2* U 0 674 206.310 25.532 66.207 1.00737.35 C ATOM 13288 O2* U 0 674 206.915 26.809 66.160 1.00737.35 O ATOM 13289 C1* U 0 674 207.148 24.532 65.406 1.00737.35 C ATOM 13290 N1 U 0 674 206.341 23.527 64.698 1.00737.35 N ATOM 13291 C2 U 0 674 205.903 23.834 63.414 1.00737.35 C ATOM 13292 O2 U 0 674 206.161 24.889 62.856 1.00737.35 O ATOM 13293 N3 U 0 674 205.149 22.858 62.809 1.00737.35 N ATOM 13294 C4 U 0 674 204.796 21.633 63.336 1.00737.35 C ATOM 13295 O4 U 0 674 204.107 20.863 62.665 1.00737.35 O ATOM 13296 C5 U 0 674 205.283 21.387 64.658 1.00737.35 C ATOM 13297 C6 U 0 674 206.020 22.316 65.277 1.00737.35 C ATOM 13298 P C 0 675 204.611 26.157 69.124 1.00737.35 P ATOM 13299 O1P C 0 675 204.709 27.047 70.311 1.00737.35 O ATOM 13300 O2P C 0 675 203.889 24.863 69.239 1.00737.35 O ATOM 13301 O5* C 0 675 203.965 26.986 67.929 1.00737.35 O ATOM 13302 C5* C 0 675 204.438 28.292 67.608 1.00737.35 C ATOM 13303 C4* C 0 675 203.786 28.794 66.339 1.00737.35 C ATOM 13304 O4* C 0 675 204.196 27.962 65.222 1.00737.35 O ATOM 13305 C3* C 0 675 202.267 28.744 66.301 1.00737.35 C ATOM 13306 O3* C 0 675 201.700 29.876 66.954 1.00737.35 O ATOM 13307 C2* C 0 675 201.984 28.743 64.803 1.00737.35 C ATOM 13308 O2* C 0 675 202.045 30.031 64.224 1.00737.35 O ATOM 13309 C1* C 0 675 203.138 27.884 64.276 1.00737.35 C ATOM 13310 N1 C 0 675 202.775 26.464 64.085 1.00737.35 N ATOM 13311 C2 C 0 675 202.276 26.054 62.836 1.00737.35 C ATOM 13312 O2 C 0 675 202.165 26.892 61.925 1.00737.35 O ATOM 13313 N3 C 0 675 201.931 24.758 62.656 1.00737.35 N ATOM 13314 C4 C 0 675 202.066 23.885 63.656 1.00737.35 C ATOM 13315 N4 C 0 675 201.709 22.618 63.430 1.00737.35 N ATOM 13316 C5 C 0 675 202.572 24.272 64.931 1.00737.35 C ATOM 13317 C6 C 0 675 202.909 25.557 65.100 1.00737.35 C ATOM 13318 P G 0 676 200.220 29.775 67.579 1.00737.35 P ATOM 13319 O1P G 0 676 200.024 30.977 68.431 1.00737.35 O ATOM 13320 O2P G 0 676 200.040 28.423 68.166 1.00737.35 O ATOM 13321 O5* G 0 676 199.261 29.898 66.313 1.00737.35 O ATOM 13322 C5* G 0 676 199.089 31.146 65.642 1.00737.35 C ATOM 13323 C4* G 0 676 198.095 31.005 64.509 1.00737.35 C ATOM 13324 O4* G 0 676 198.639 30.119 63.496 1.00737.35 O ATOM 13325 C3* G 0 676 196.758 30.379 64.873 1.00737.35 C ATOM 13326 O3* G 0 676 195.866 31.342 65.424 1.00737.35 O ATOM 13327 C2* G 0 676 196.276 29.854 63.526 1.00737.35 C ATOM 13328 O2* G 0 676 195.696 30.855 62.713 1.00737.35 O ATOM 13329 C1* G 0 676 197.586 29.372 62.904 1.00737.35 C ATOM 13330 N9 G 0 676 197.841 27.950 63.129 1.00737.35 N ATOM 13331 C8 G 0 676 198.569 27.385 64.150 1.00737.35 C ATOM 13332 N7 G 0 676 198.611 26.083 64.090 1.00737.35 N ATOM 13333 C5 G 0 676 197.870 25.766 62.960 1.00737.35 C ATOM 13334 C6 G 0 676 197.561 24.505 62.387 1.00737.35 C ATOM 13335 O6 G 0 676 197.895 23.379 62.777 1.00737.35 O ATOM 13336 N1 G 0 676 196.782 24.638 61.244 1.00737.35 N ATOM 13337 C2 G 0 676 196.352 25.833 60.716 1.00737.35 C ATOM 13338 N2 G 0 676 195.608 25.753 59.604 1.00737.35 N ATOM 13339 N3 G 0 676 196.631 27.014 61.240 1.00737.35 N ATOM 13340 C4 G 0 676 197.390 26.907 62.353 1.00737.35 C ATOM 13341 P G 0 677 194.715 30.870 66.443 1.00737.35 P ATOM 13342 O1P G 0 677 193.984 32.087 66.879 1.00737.35 O ATOM 13343 O2P G 0 677 195.325 29.977 67.463 1.00737.35 O ATOM 13344 O5* G 0 677 193.736 29.996 65.539 1.00737.35 O ATOM 13345 C5* G 0 677 192.965 30.600 64.504 1.00737.35 C ATOM 13346 C4* G 0 677 192.194 29.551 63.734 1.00737.35 C ATOM 13347 O4* G 0 677 193.122 28.666 63.053 1.00737.35 O ATOM 13348 C3* G 0 677 191.330 28.611 64.560 1.00737.35 C ATOM 13349 O3* G 0 677 190.073 29.202 64.871 1.00737.35 O ATOM 13350 C2* G 0 677 191.180 27.414 63.625 1.00737.35 C ATOM 13351 O2* G 0 677 190.185 27.602 62.636 1.00737.35 O ATOM 13352 C1* G 0 677 192.561 27.365 62.967 1.00737.35 C ATOM 13353 N9 G 0 677 193.470 26.414 63.606 1.00737.35 N ATOM 13354 C8 G 0 677 194.394 26.674 64.591 1.00737.35 C ATOM 13355 N7 G 0 677 195.058 25.614 64.965 1.00737.35 N ATOM 13356 C5 G 0 677 194.543 24.591 64.178 1.00737.35 C ATOM 13357 C6 G 0 677 194.871 23.210 64.134 1.00737.35 C ATOM 13358 O6 G 0 677 195.709 22.594 64.803 1.00737.35 O ATOM 13359 N1 G 0 677 194.106 22.533 63.191 1.00737.35 N ATOM 13360 C2 G 0 677 193.146 23.107 62.392 1.00737.35 C ATOM 13361 N2 G 0 677 192.514 22.283 61.544 1.00737.35 N ATOM 13362 N3 G 0 677 192.830 24.392 62.424 1.00737.35 N ATOM 13363 C4 G 0 677 193.564 25.069 63.333 1.00737.35 C ATOM 13364 P G 0 678 189.239 28.679 66.142 1.00737.35 P ATOM 13365 O1P G 0 678 188.040 29.546 66.271 1.00737.35 O ATOM 13366 O2P G 0 678 190.166 28.537 67.292 1.00737.35 O ATOM 13367 O5* G 0 678 188.759 27.222 65.710 1.00737.35 O ATOM 13368 C5* G 0 678 187.807 27.047 64.662 1.00737.35 C ATOM 13369 C4* G 0 678 187.580 25.577 64.392 1.00737.35 C ATOM 13370 O4* G 0 678 188.806 24.979 63.890 1.00737.35 O ATOM 13371 C3* G 0 678 187.218 24.726 65.599 1.00737.35 C ATOM 13372 O3* G 0 678 185.824 24.804 65.880 1.00737.35 O ATOM 13373 C2* G 0 678 187.635 23.332 65.147 1.00737.35 C ATOM 13374 O2* G 0 678 186.677 22.707 64.314 1.00737.35 O ATOM 13375 C1* G 0 678 188.901 23.637 64.342 1.00737.35 C ATOM 13376 N9 G 0 678 190.135 23.487 65.113 1.00737.35 N ATOM 13377 C8 G 0 678 190.917 24.490 65.641 1.00737.35 C ATOM 13378 N7 G 0 678 191.962 24.041 66.279 1.00737.35 N ATOM 13379 C5 G 0 678 191.871 22.661 66.166 1.00737.35 C ATOM 13380 C6 G 0 678 192.724 21.640 66.660 1.00737.35 C ATOM 13381 O6 G 0 678 193.768 21.756 67.315 1.00737.35 O ATOM 13382 N1 G 0 678 192.257 20.374 66.320 1.00737.35 N ATOM 13383 C2 G 0 678 191.116 20.121 65.599 1.00737.35 C ATOM 13384 N2 G 0 678 190.832 18.830 65.376 1.00737.35 N ATOM 13385 N3 G 0 678 190.313 21.062 65.131 1.00737.35 N ATOM 13386 C4 G 0 678 190.748 22.302 65.451 1.00737.35 C ATOM 13387 P C 0 679 185.288 24.460 67.356 1.00737.35 P ATOM 13388 O1P C 0 679 183.850 24.827 67.400 1.00737.35 O ATOM 13389 O2P C 0 679 186.223 25.046 68.351 1.00737.35 O ATOM 13390 O5* C 0 679 185.401 22.871 67.444 1.00737.35 O ATOM 13391 C5* C 0 679 184.544 22.033 66.672 1.00737.35 C ATOM 13392 C4* C 0 679 184.803 20.578 66.991 1.00737.35 C ATOM 13393 O4* C 0 679 186.141 20.217 66.563 1.00737.35 O ATOM 13394 C3* C 0 679 184.766 20.211 68.466 1.00737.35 C ATOM 13395 O3* C 0 679 183.431 19.973 68.901 1.00737.35 O ATOM 13396 C2* C 0 679 185.612 18.945 68.506 1.00737.35 C ATOM 13397 O2* C 0 679 184.899 17.785 68.123 1.00737.35 O ATOM 13398 C1* C 0 679 186.687 19.261 67.460 1.00737.35 C ATOM 13399 N1 C 0 679 187.938 19.799 68.030 1.00737.35 N ATOM 13400 C2 C 0 679 188.903 18.904 68.517 1.00737.35 C ATOM 13401 O2 C 0 679 188.681 17.682 68.467 1.00737.35 O ATOM 13402 N3 C 0 679 190.055 19.391 69.032 1.00737.35 N ATOM 13403 C4 C 0 679 190.263 20.707 69.079 1.00737.35 C ATOM 13404 N4 C 0 679 191.416 21.139 69.599 1.00737.35 N ATOM 13405 C5 C 0 679 189.299 21.641 68.598 1.00737.35 C ATOM 13406 C6 C 0 679 188.165 21.148 68.085 1.00737.35 C ATOM 13407 P U 0 680 183.005 20.338 70.407 1.00737.35 P ATOM 13408 O1P U 0 680 181.541 20.108 70.520 1.00737.35 O ATOM 13409 O2P U 0 680 183.565 21.671 70.746 1.00737.35 O ATOM 13410 O5* U 0 680 183.752 19.245 71.295 1.00737.35 O ATOM 13411 C5* U 0 680 183.279 17.901 71.358 1.00737.35 C ATOM 13412 C4* U 0 680 184.104 17.099 72.336 1.00737.35 C ATOM 13413 O4* U 0 680 185.462 16.973 71.837 1.00737.35 O ATOM 13414 C3* U 0 680 184.269 17.710 73.720 1.00737.35 C ATOM 13415 O3* U 0 680 183.156 17.401 74.553 1.00737.35 O ATOM 13416 C2* U 0 680 185.550 17.050 74.216 1.00737.35 C ATOM 13417 O2* U 0 680 185.344 15.749 74.729 1.00737.35 O ATOM 13418 C1* U 0 680 186.372 16.972 72.925 1.00737.35 C ATOM 13419 N1 U 0 680 187.319 18.090 72.756 1.00737.35 N ATOM 13420 C2 U 0 680 188.577 17.968 73.333 1.00737.35 C ATOM 13421 O2 U 0 680 188.928 16.985 73.967 1.00737.35 O ATOM 13422 N3 U 0 680 189.409 19.041 73.136 1.00737.35 N ATOM 13423 C4 U 0 680 189.126 20.200 72.440 1.00737.35 C ATOM 13424 O4 U 0 680 189.987 21.076 72.346 1.00737.35 O ATOM 13425 C5 U 0 680 187.811 20.252 71.878 1.00737.35 C ATOM 13426 C6 U 0 680 186.975 19.223 72.050 1.00737.35 C ATOM 13427 P A 0 681 182.585 18.512 75.565 1.00737.35 P ATOM 13428 O1P A 0 681 181.522 17.868 76.376 1.00737.35 O ATOM 13429 O2P A 0 681 182.268 19.737 74.783 1.00737.35 O ATOM 13430 O5* A 0 681 183.817 18.829 76.525 1.00737.35 O ATOM 13431 C5* A 0 681 183.826 19.992 77.348 1.00737.35 C ATOM 13432 C4* A 0 681 184.996 19.943 78.303 1.00737.35 C ATOM 13433 O4* A 0 681 186.224 19.763 77.551 1.00737.35 O ATOM 13434 C3* A 0 681 185.233 21.210 79.111 1.00737.35 C ATOM 13435 O3* A 0 681 184.415 21.218 80.278 1.00737.35 O ATOM 13436 C2* A 0 681 186.713 21.100 79.461 1.00737.35 C ATOM 13437 O2* A 0 681 186.959 20.269 80.578 1.00737.35 O ATOM 13438 C1* A 0 681 187.284 20.446 78.198 1.00737.35 C ATOM 13439 N9 A 0 681 187.875 21.391 77.247 1.00737.35 N ATOM 13440 C8 A 0 681 187.242 22.337 76.477 1.00737.35 C ATOM 13441 N7 A 0 681 188.055 23.033 75.722 1.00737.35 N ATOM 13442 C5 A 0 681 189.309 22.512 76.012 1.00737.35 C ATOM 13443 C6 A 0 681 190.596 22.823 75.539 1.00737.35 C ATOM 13444 N6 A 0 681 190.847 23.775 74.635 1.00737.35 N ATOM 13445 N1 A 0 681 191.634 22.114 76.034 1.00737.35 N ATOM 13446 C2 A 0 681 191.384 21.161 76.940 1.00737.35 C ATOM 13447 N3 A 0 681 190.222 20.777 77.461 1.00737.35 N ATOM 13448 C4 A 0 681 189.212 21.502 76.950 1.00737.35 C ATOM 13449 P G 0 682 183.402 22.440 80.538 1.00737.35 P ATOM 13450 O1P G 0 682 182.642 22.121 81.774 1.00737.35 O ATOM 13451 O2P G 0 682 182.668 22.721 79.278 1.00737.35 O ATOM 13452 O5* G 0 682 184.351 23.681 80.851 1.00737.35 O ATOM 13453 C5* G 0 682 183.802 24.966 81.136 1.00737.35 C ATOM 13454 C4* G 0 682 184.902 25.953 81.458 1.00737.35 C ATOM 13455 O4* G 0 682 185.598 25.526 82.656 1.00737.35 O ATOM 13456 C3* G 0 682 185.998 26.089 80.412 1.00737.35 C ATOM 13457 O3* G 0 682 185.614 27.010 79.394 1.00737.35 O ATOM 13458 C2* G 0 682 187.169 26.614 81.235 1.00737.35 C ATOM 13459 O2* G 0 682 187.111 28.009 81.459 1.00737.35 O ATOM 13460 C1* G 0 682 186.971 25.872 82.560 1.00737.35 C ATOM 13461 N9 G 0 682 187.769 24.654 82.681 1.00737.35 N ATOM 13462 C8 G 0 682 187.374 23.366 82.407 1.00737.35 C ATOM 13463 N7 G 0 682 188.312 22.485 82.622 1.00737.35 N ATOM 13464 C5 G 0 682 189.394 23.233 83.061 1.00737.35 C ATOM 13465 C6 G 0 682 190.696 22.825 83.452 1.00737.35 C ATOM 13466 O6 G 0 682 191.168 21.681 83.489 1.00737.35 O ATOM 13467 N1 G 0 682 191.481 23.910 83.827 1.00737.35 N ATOM 13468 C2 G 0 682 191.068 25.219 83.831 1.00737.35 C ATOM 13469 N2 G 0 682 191.976 26.126 84.226 1.00737.35 N ATOM 13470 N3 G 0 682 189.858 25.613 83.470 1.00737.35 N ATOM 13471 C4 G 0 682 189.078 24.575 83.102 1.00737.35 C ATOM 13472 P A 0 683 186.203 26.849 77.908 1.00737.35 P ATOM 13473 O1P A 0 683 185.680 27.980 77.099 1.00737.35 O ATOM 13474 O2P A 0 683 185.966 25.454 77.456 1.00737.35 O ATOM 13475 O5* A 0 683 187.773 27.051 78.093 1.00737.35 O ATOM 13476 C5* A 0 683 188.313 28.318 78.469 1.00737.35 C ATOM 13477 C4* A 0 683 189.800 28.197 78.719 1.00737.35 C ATOM 13478 O4* A 0 683 190.024 27.317 79.852 1.00737.35 O ATOM 13479 C3* A 0 683 190.602 27.574 77.589 1.00737.35 C ATOM 13480 O3* A 0 683 190.969 28.560 76.627 1.00737.35 O ATOM 13481 C2* A 0 683 191.823 27.032 78.320 1.00737.35 C ATOM 13482 O2* A 0 683 192.802 28.021 78.573 1.00737.35 O ATOM 13483 C1* A 0 683 191.211 26.570 79.645 1.00737.35 C ATOM 13484 N9 A 0 683 190.874 25.144 79.679 1.00737.35 N ATOM 13485 C8 A 0 683 189.696 24.540 79.308 1.00737.35 C ATOM 13486 N7 A 0 683 189.699 23.239 79.463 1.00737.35 N ATOM 13487 C5 A 0 683 190.964 22.965 79.969 1.00737.35 C ATOM 13488 C6 A 0 683 191.588 21.765 80.351 1.00737.35 C ATOM 13489 N6 A 0 683 191.002 20.567 80.278 1.00737.35 N ATOM 13490 N1 A 0 683 192.854 21.838 80.816 1.00737.35 N ATOM 13491 C2 A 0 683 193.442 23.039 80.889 1.00737.35 C ATOM 13492 N3 A 0 683 192.956 24.236 80.565 1.00737.35 N ATOM 13493 C4 A 0 683 191.698 24.130 80.105 1.00737.35 C ATOM 13494 P C 0 684 190.061 28.785 75.318 1.00737.35 P ATOM 13495 O1P C 0 684 189.250 27.559 75.098 1.00737.35 O ATOM 13496 O2P C 0 684 190.947 29.283 74.232 1.00737.35 O ATOM 13497 O5* C 0 684 189.069 29.957 75.750 1.00737.35 O ATOM 13498 C5* C 0 684 189.022 31.191 75.036 1.00737.35 C ATOM 13499 C4* C 0 684 189.838 32.241 75.757 1.00737.35 C ATOM 13500 O4* C 0 684 189.862 33.459 74.971 1.00737.35 O ATOM 13501 C3* C 0 684 189.306 32.685 77.109 1.00737.35 C ATOM 13502 O3* C 0 684 189.709 31.786 78.141 1.00737.35 O ATOM 13503 C2* C 0 684 189.955 34.055 77.275 1.00737.35 C ATOM 13504 O2* C 0 684 191.292 33.980 77.729 1.00737.35 O ATOM 13505 C1* C 0 684 189.930 34.583 75.837 1.00737.35 C ATOM 13506 N1 C 0 684 188.789 35.481 75.556 1.00737.35 N ATOM 13507 C2 C 0 684 188.914 36.848 75.865 1.00737.35 C ATOM 13508 O2 C 0 684 189.971 37.266 76.366 1.00737.35 O ATOM 13509 N3 C 0 684 187.874 37.677 75.612 1.00737.35 N ATOM 13510 C4 C 0 684 186.751 37.198 75.078 1.00737.35 C ATOM 13511 N4 C 0 684 185.753 38.056 74.851 1.00737.35 N ATOM 13512 C5 C 0 684 186.596 35.817 74.752 1.00737.35 C ATOM 13513 C6 C 0 684 187.631 35.003 75.006 1.00737.35 C ATOM 13514 P U 0 685 188.878 31.725 79.516 1.00737.35 P ATOM 13515 O1P U 0 685 189.495 30.672 80.364 1.00737.35 O ATOM 13516 O2P U 0 685 187.431 31.648 79.189 1.00737.35 O ATOM 13517 O5* U 0 685 189.159 33.138 80.196 1.00737.35 O ATOM 13518 C5* U 0 685 190.400 33.409 80.848 1.00737.35 C ATOM 13519 C4* U 0 685 190.318 34.708 81.616 1.00737.35 C ATOM 13520 O4* U 0 685 190.169 35.813 80.687 1.00737.35 O ATOM 13521 C3* U 0 685 189.126 34.834 82.553 1.00737.35 C ATOM 13522 O3* U 0 685 189.402 34.227 83.811 1.00737.35 O ATOM 13523 C2* U 0 685 188.957 36.346 82.664 1.00737.35 C ATOM 13524 O2* U 0 685 189.847 36.939 83.588 1.00737.35 O ATOM 13525 C1* U 0 685 189.307 36.795 81.243 1.00737.35 C ATOM 13526 N1 U 0 685 188.139 36.950 80.358 1.00737.35 N ATOM 13527 C2 U 0 685 187.439 38.148 80.410 1.00737.35 C ATOM 13528 O2 U 0 685 187.739 39.065 81.157 1.00737.35 O ATOM 13529 N3 U 0 685 186.367 38.228 79.553 1.00737.35 N ATOM 13530 C4 U 0 685 185.932 37.260 78.671 1.00737.35 C ATOM 13531 O4 U 0 685 184.951 37.485 77.962 1.00737.35 O ATOM 13532 C5 U 0 685 186.702 36.057 78.679 1.00737.35 C ATOM 13533 C6 U 0 685 187.750 35.943 79.498 1.00737.35 C ATOM 13534 P C 0 686 188.207 33.549 84.649 1.00737.35 P ATOM 13535 O1P C 0 686 188.831 32.764 85.744 1.00737.35 O ATOM 13536 O2P C 0 686 187.284 32.875 83.701 1.00737.35 O ATOM 13537 O5* C 0 686 187.440 34.788 85.294 1.00737.35 O ATOM 13538 C5* C 0 686 188.021 35.534 86.363 1.00737.35 C ATOM 13539 C4* C 0 686 187.170 36.742 86.686 1.00737.35 C ATOM 13540 O4* C 0 686 187.154 37.639 85.545 1.00737.35 O ATOM 13541 C3* C 0 686 185.701 36.466 86.964 1.00737.35 C ATOM 13542 O3* C 0 686 185.493 36.075 88.318 1.00737.35 O ATOM 13543 C2* C 0 686 185.057 37.810 86.649 1.00737.35 C ATOM 13544 O2* C 0 686 185.181 38.746 87.700 1.00737.35 O ATOM 13545 C1* C 0 686 185.885 38.266 85.446 1.00737.35 C ATOM 13546 N1 C 0 686 185.277 37.905 84.149 1.00737.35 N ATOM 13547 C2 C 0 686 184.373 38.798 83.547 1.00737.35 C ATOM 13548 O2 C 0 686 184.114 39.873 84.116 1.00737.35 O ATOM 13549 N3 C 0 686 183.807 38.468 82.367 1.00737.35 N ATOM 13550 C4 C 0 686 184.107 37.306 81.781 1.00737.35 C ATOM 13551 N4 C 0 686 183.523 37.021 80.618 1.00737.35 N ATOM 13552 C5 C 0 686 185.023 36.383 82.365 1.00737.35 C ATOM 13553 C6 C 0 686 185.578 36.718 83.536 1.00737.35 C ATOM 13554 P G 0 687 184.234 35.153 88.697 1.00737.35 P ATOM 13555 O1P G 0 687 184.327 34.856 90.150 1.00737.35 O ATOM 13556 O2P G 0 687 184.159 34.033 87.724 1.00737.35 O ATOM 13557 O5* G 0 687 182.976 36.102 88.459 1.00737.35 O ATOM 13558 C5* G 0 687 182.728 37.215 89.317 1.00737.35 C ATOM 13559 C4* G 0 687 181.561 38.030 88.807 1.00737.35 C ATOM 13560 O4* G 0 687 181.901 38.624 87.526 1.00737.35 O ATOM 13561 C3* G 0 687 180.275 37.268 88.533 1.00737.35 C ATOM 13562 O3* G 0 687 179.531 37.079 89.733 1.00737.35 O ATOM 13563 C2* G 0 687 179.560 38.190 87.552 1.00737.35 C ATOM 13564 O2* G 0 687 178.895 39.267 88.183 1.00737.35 O ATOM 13565 C1* G 0 687 180.733 38.728 86.727 1.00737.35 C ATOM 13566 N9 G 0 687 180.953 38.000 85.478 1.00737.35 N ATOM 13567 C8 G 0 687 181.754 36.899 85.285 1.00737.35 C ATOM 13568 N7 G 0 687 181.745 36.469 84.053 1.00737.35 N ATOM 13569 C5 G 0 687 180.886 37.335 83.391 1.00737.35 C ATOM 13570 C6 G 0 687 180.480 37.366 82.030 1.00737.35 C ATOM 13571 O6 G 0 687 180.808 36.608 81.109 1.00737.35 O ATOM 13572 N1 G 0 687 179.598 38.413 81.785 1.00737.35 N ATOM 13573 C2 G 0 687 179.159 39.313 82.723 1.00737.35 C ATOM 13574 N2 G 0 687 178.305 40.253 82.287 1.00737.35 N ATOM 13575 N3 G 0 687 179.528 39.295 83.993 1.00737.35 N ATOM 13576 C4 G 0 687 180.388 38.287 84.257 1.00737.35 C ATOM 13577 P A 0 688 178.388 35.947 89.798 1.00737.35 P ATOM 13578 O1P A 0 688 178.117 35.681 91.234 1.00737.35 O ATOM 13579 O2P A 0 688 178.769 34.823 88.906 1.00737.35 O ATOM 13580 O5* A 0 688 177.104 36.664 89.180 1.00737.35 O ATOM 13581 C5* A 0 688 176.642 37.908 89.702 1.00737.35 C ATOM 13582 C4* A 0 688 175.236 38.191 89.228 1.00737.35 C ATOM 13583 O4* A 0 688 175.224 38.314 87.781 1.00737.35 O ATOM 13584 C3* A 0 688 174.203 37.112 89.514 1.00737.35 C ATOM 13585 O3* A 0 688 173.704 37.243 90.843 1.00737.35 O ATOM 13586 C2* A 0 688 173.133 37.402 88.467 1.00737.35 C ATOM 13587 O2* A 0 688 172.253 38.441 88.850 1.00737.35 O ATOM 13588 C1* A 0 688 173.982 37.857 87.276 1.00737.35 C ATOM 13589 N9 A 0 688 174.237 36.806 86.288 1.00737.35 N ATOM 13590 C8 A 0 688 175.107 35.746 86.379 1.00737.35 C ATOM 13591 N7 A 0 688 175.111 34.974 85.320 1.00737.35 N ATOM 13592 C5 A 0 688 174.181 35.562 84.475 1.00737.35 C ATOM 13593 C6 A 0 688 173.723 35.224 83.186 1.00737.35 C ATOM 13594 N6 A 0 688 174.159 34.168 82.497 1.00737.35 N ATOM 13595 N1 A 0 688 172.790 36.020 82.624 1.00737.35 N ATOM 13596 C2 A 0 688 172.355 37.080 83.310 1.00737.35 C ATOM 13597 N3 A 0 688 172.708 37.503 84.522 1.00737.35 N ATOM 13598 C4 A 0 688 173.635 36.691 85.057 1.00737.35 C ATOM 13599 P A 0 689 173.058 35.971 91.587 1.00737.35 P ATOM 13600 O1P A 0 689 173.213 36.192 93.048 1.00737.35 O ATOM 13601 O2P A 0 689 173.595 34.727 90.974 1.00737.35 O ATOM 13602 O5* A 0 689 171.507 36.067 91.230 1.00737.35 O ATOM 13603 C5* A 0 689 170.674 37.055 91.835 1.00737.35 C ATOM 13604 C4* A 0 689 169.273 36.977 91.271 1.00737.35 C ATOM 13605 O4* A 0 689 169.303 37.331 89.864 1.00737.35 O ATOM 13606 C3* A 0 689 168.631 35.598 91.306 1.00737.35 C ATOM 13607 O3* A 0 689 168.004 35.362 92.564 1.00737.35 O ATOM 13608 C2* A 0 689 167.607 35.681 90.176 1.00737.35 C ATOM 13609 O2* A 0 689 166.399 36.300 90.569 1.00737.35 O ATOM 13610 C1* A 0 689 168.332 36.573 89.163 1.00737.35 C ATOM 13611 N9 A 0 689 168.997 35.874 88.060 1.00737.35 N ATOM 13612 C8 A 0 689 168.904 36.190 86.726 1.00737.35 C ATOM 13613 N7 A 0 689 169.601 35.399 85.946 1.00737.35 N ATOM 13614 C5 A 0 689 170.192 34.500 86.821 1.00737.35 C ATOM 13615 C6 A 0 689 171.056 33.412 86.615 1.00737.35 C ATOM 13616 N6 A 0 689 171.487 33.027 85.413 1.00737.35 N ATOM 13617 N1 A 0 689 171.465 32.722 87.701 1.00737.35 N ATOM 13618 C2 A 0 689 171.030 33.109 88.906 1.00737.35 C ATOM 13619 N3 A 0 689 170.218 34.114 89.229 1.00737.35 N ATOM 13620 C4 A 0 689 169.828 34.780 88.128 1.00737.35 C ATOM 13621 P A 0 690 168.351 34.030 93.397 1.00737.35 P ATOM 13622 O1P A 0 690 167.356 33.924 94.494 1.00737.35 O ATOM 13623 O2P A 0 690 169.800 34.051 93.723 1.00737.35 O ATOM 13624 O5* A 0 690 168.087 32.837 92.374 1.00737.35 O ATOM 13625 C5* A 0 690 166.868 32.754 91.641 1.00737.35 C ATOM 13626 C4* A 0 690 166.889 31.548 90.726 1.00737.35 C ATOM 13627 O4* A 0 690 168.046 31.639 89.853 1.00737.35 O ATOM 13628 C3* A 0 690 167.040 30.201 91.413 1.00737.35 C ATOM 13629 O3* A 0 690 165.777 29.708 91.848 1.00737.35 O ATOM 13630 C2* A 0 690 167.642 29.345 90.305 1.00737.35 C ATOM 13631 O2* A 0 690 166.683 28.885 89.373 1.00737.35 O ATOM 13632 C1* A 0 690 168.580 30.344 89.628 1.00737.35 C ATOM 13633 N9 A 0 690 169.943 30.308 90.162 1.00737.35 N ATOM 13634 C8 A 0 690 170.414 30.869 91.325 1.00737.35 C ATOM 13635 N7 A 0 690 171.691 30.664 91.535 1.00737.35 N ATOM 13636 C5 A 0 690 172.092 29.916 90.437 1.00737.35 C ATOM 13637 C6 A 0 690 173.336 29.376 90.063 1.00737.35 C ATOM 13638 N6 A 0 690 174.450 29.512 90.787 1.00737.35 N ATOM 13639 N1 A 0 690 173.399 28.682 88.906 1.00737.35 N ATOM 13640 C2 A 0 690 172.280 28.544 88.180 1.00737.35 C ATOM 13641 N3 A 0 690 171.054 29.003 88.425 1.00737.35 N ATOM 13642 C4 A 0 690 171.027 29.689 89.583 1.00737.35 C ATOM 13643 P C 0 691 165.710 28.575 92.988 1.00737.35 P ATOM 13644 O1P C 0 691 164.284 28.422 93.373 1.00737.35 O ATOM 13645 O2P C 0 691 166.719 28.889 94.031 1.00737.35 O ATOM 13646 O5* C 0 691 166.167 27.248 92.235 1.00737.35 O ATOM 13647 C5* C 0 691 165.409 26.723 91.146 1.00737.35 C ATOM 13648 C4* C 0 691 166.097 25.514 90.555 1.00737.35 C ATOM 13649 O4* C 0 691 167.386 25.906 90.013 1.00737.35 O ATOM 13650 C3* C 0 691 166.427 24.398 91.533 1.00737.35 C ATOM 13651 O3* C 0 691 165.299 23.549 91.732 1.00737.35 O ATOM 13652 C2* C 0 691 167.569 23.676 90.826 1.00737.35 C ATOM 13653 O2* C 0 691 167.124 22.780 89.830 1.00737.35 O ATOM 13654 C1* C 0 691 168.315 24.846 90.177 1.00737.35 C ATOM 13655 N1 C 0 691 169.467 25.335 90.965 1.00737.35 N ATOM 13656 C2 C 0 691 170.705 24.677 90.837 1.00737.35 C ATOM 13657 O2 C 0 691 170.799 23.698 90.077 1.00737.35 O ATOM 13658 N3 C 0 691 171.766 25.127 91.550 1.00737.35 N ATOM 13659 C4 C 0 691 171.631 26.176 92.361 1.00737.35 C ATOM 13660 N4 C 0 691 172.705 26.580 93.042 1.00737.35 N ATOM 13661 C5 C 0 691 170.387 26.859 92.513 1.00737.35 C ATOM 13662 C6 C 0 691 169.343 26.409 91.805 1.00737.35 C ATOM 13663 P C 0 692 165.191 22.666 93.072 1.00737.35 P ATOM 13664 O1P C 0 692 163.864 22.001 93.057 1.00737.35 O ATOM 13665 O2P C 0 692 165.573 23.515 94.230 1.00737.35 O ATOM 13666 O5* C 0 692 166.312 21.550 92.883 1.00737.35 O ATOM 13667 C5* C 0 692 166.152 20.502 91.928 1.00737.35 C ATOM 13668 C4* C 0 692 167.305 19.530 92.019 1.00737.35 C ATOM 13669 O4* C 0 692 168.533 20.197 91.624 1.00737.35 O ATOM 13670 C3* C 0 692 167.598 18.991 93.410 1.00737.35 C ATOM 13671 O3* C 0 692 166.764 17.877 93.714 1.00737.35 O ATOM 13672 C2* C 0 692 169.067 18.601 93.304 1.00737.35 C ATOM 13673 O2* C 0 692 169.267 17.346 92.686 1.00737.35 O ATOM 13674 C1* C 0 692 169.612 19.714 92.409 1.00737.35 C ATOM 13675 N1 C 0 692 170.204 20.848 93.152 1.00737.35 N ATOM 13676 C2 C 0 692 171.522 20.735 93.626 1.00737.35 C ATOM 13677 O2 C 0 692 172.154 19.685 93.415 1.00737.35 O ATOM 13678 N3 C 0 692 172.072 21.771 94.299 1.00737.35 N ATOM 13679 C4 C 0 692 171.365 22.881 94.510 1.00737.35 C ATOM 13680 N4 C 0 692 171.954 23.879 95.176 1.00737.35 N ATOM 13681 C5 C 0 692 170.026 23.025 94.046 1.00737.35 C ATOM 13682 C6 C 0 692 169.489 21.993 93.380 1.00737.35 C ATOM 13683 P A 0 693 166.375 17.566 95.243 1.00737.35 P ATOM 13684 O1P A 0 693 165.407 16.439 95.229 1.00737.35 O ATOM 13685 O2P A 0 693 165.999 18.843 95.902 1.00737.35 O ATOM 13686 O5* A 0 693 167.736 17.052 95.889 1.00737.35 O ATOM 13687 C5* A 0 693 168.263 15.768 95.561 1.00737.35 C ATOM 13688 C4* A 0 693 169.598 15.557 96.238 1.00737.35 C ATOM 13689 O4* A 0 693 170.573 16.486 95.695 1.00737.35 O ATOM 13690 C3* A 0 693 169.633 15.813 97.737 1.00737.35 C ATOM 13691 O3* A 0 693 169.174 14.679 98.463 1.00737.35 O ATOM 13692 C2* A 0 693 171.113 16.093 97.980 1.00737.35 C ATOM 13693 O2* A 0 693 171.893 14.918 98.073 1.00737.35 O ATOM 13694 C1* A 0 693 171.488 16.864 96.711 1.00737.35 C ATOM 13695 N9 A 0 693 171.431 18.320 96.872 1.00737.35 N ATOM 13696 C8 A 0 693 170.396 19.169 96.559 1.00737.35 C ATOM 13697 N7 A 0 693 170.645 20.427 96.820 1.00737.35 N ATOM 13698 C5 A 0 693 171.933 20.412 97.339 1.00737.35 C ATOM 13699 C6 A 0 693 172.775 21.435 97.811 1.00737.35 C ATOM 13700 N6 A 0 693 172.434 22.724 97.834 1.00737.35 N ATOM 13701 N1 A 0 693 173.999 21.081 98.265 1.00737.35 N ATOM 13702 C2 A 0 693 174.341 19.787 98.240 1.00737.35 C ATOM 13703 N3 A 0 693 173.638 18.736 97.823 1.00737.35 N ATOM 13704 C4 A 0 693 172.429 19.120 97.379 1.00737.35 C ATOM 13705 P G 0 694 168.582 14.866 99.948 1.00737.35 P ATOM 13706 O1P G 0 694 168.020 13.555 100.367 1.00737.35 O ATOM 13707 O2P G 0 694 167.716 16.074 99.964 1.00737.35 O ATOM 13708 O5* G 0 694 169.869 15.162 100.840 1.00737.35 O ATOM 13709 C5* G 0 694 170.885 14.176 101.007 1.00737.35 C ATOM 13710 C4* G 0 694 172.115 14.788 101.641 1.00737.35 C ATOM 13711 O4* G 0 694 172.654 15.809 100.760 1.00737.35 O ATOM 13712 C3* G 0 694 171.897 15.511 102.960 1.00737.35 C ATOM 13713 O3* G 0 694 171.900 14.601 104.054 1.00737.35 O ATOM 13714 C2* G 0 694 173.091 16.459 103.005 1.00737.35 C ATOM 13715 O2* G 0 694 174.283 15.832 103.432 1.00737.35 O ATOM 13716 C1* G 0 694 173.215 16.858 101.532 1.00737.35 C ATOM 13717 N9 G 0 694 172.519 18.102 101.208 1.00737.35 N ATOM 13718 C8 G 0 694 171.286 18.240 100.617 1.00737.35 C ATOM 13719 N7 G 0 694 170.929 19.486 100.458 1.00737.35 N ATOM 13720 C5 G 0 694 171.989 20.216 100.976 1.00737.35 C ATOM 13721 C6 G 0 694 172.174 21.619 101.081 1.00737.35 C ATOM 13722 O6 G 0 694 171.413 22.528 100.723 1.00737.35 O ATOM 13723 N1 G 0 694 173.393 21.931 101.674 1.00737.35 N ATOM 13724 C2 G 0 694 174.318 21.013 102.110 1.00737.35 C ATOM 13725 N2 G 0 694 175.435 21.514 102.658 1.00737.35 N ATOM 13726 N3 G 0 694 174.160 19.703 102.016 1.00737.35 N ATOM 13727 C4 G 0 694 172.979 19.378 101.442 1.00737.35 C ATOM 13728 P G 0 695 171.176 15.006 105.432 1.00737.35 P ATOM 13729 O1P G 0 695 171.266 13.832 106.338 1.00737.35 O ATOM 13730 O2P G 0 695 169.846 15.584 105.116 1.00737.35 O ATOM 13731 O5* G 0 695 172.097 16.165 106.023 1.00737.35 O ATOM 13732 C5* G 0 695 173.440 15.902 106.424 1.00737.35 C ATOM 13733 C4* G 0 695 174.152 17.191 106.768 1.00737.35 C ATOM 13734 O4* G 0 695 174.231 18.031 105.583 1.00737.35 O ATOM 13735 C3* G 0 695 173.470 18.070 107.805 1.00737.35 C ATOM 13736 O3* G 0 695 173.794 17.650 109.125 1.00737.35 O ATOM 13737 C2* G 0 695 174.045 19.447 107.490 1.00737.35 C ATOM 13738 O2* G 0 695 175.333 19.649 108.034 1.00737.35 O ATOM 13739 C1* G 0 695 174.132 19.396 105.963 1.00737.35 C ATOM 13740 N9 G 0 695 172.974 19.984 105.292 1.00737.35 N ATOM 13741 C8 G 0 695 171.939 19.319 104.676 1.00737.35 C ATOM 13742 N7 G 0 695 171.049 20.121 104.158 1.00737.35 N ATOM 13743 C5 G 0 695 171.520 21.394 104.450 1.00737.35 C ATOM 13744 C6 G 0 695 170.979 22.667 104.140 1.00737.35 C ATOM 13745 O6 G 0 695 169.941 22.933 103.519 1.00737.35 O ATOM 13746 N1 G 0 695 171.778 23.695 104.627 1.00737.35 N ATOM 13747 C2 G 0 695 172.949 23.524 105.321 1.00737.35 C ATOM 13748 N2 G 0 695 173.574 24.645 105.713 1.00737.35 N ATOM 13749 N3 G 0 695 173.468 22.343 105.615 1.00737.35 N ATOM 13750 C4 G 0 695 172.707 21.328 105.152 1.00737.35 C ATOM 13751 P U 0 696 172.804 18.010 110.340 1.00737.35 P ATOM 13752 O1P U 0 696 173.407 17.460 111.581 1.00737.35 O ATOM 13753 O2P U 0 696 171.426 17.611 109.957 1.00737.35 O ATOM 13754 O5* U 0 696 172.858 19.601 110.419 1.00737.35 O ATOM 13755 C5* U 0 696 174.028 20.275 110.880 1.00737.35 C ATOM 13756 C4* U 0 696 173.770 21.762 110.992 1.00737.35 C ATOM 13757 O4* U 0 696 173.557 22.319 109.670 1.00737.35 O ATOM 13758 C3* U 0 696 172.522 22.150 111.770 1.00737.35 C ATOM 13759 O3* U 0 696 172.779 22.171 113.169 1.00737.35 O ATOM 13760 C2* U 0 696 172.229 23.545 111.223 1.00737.35 C ATOM 13761 O2* U 0 696 173.010 24.555 111.833 1.00737.35 O ATOM 13762 C1* U 0 696 172.635 23.396 109.753 1.00737.35 C ATOM 13763 N1 U 0 696 171.504 23.125 108.848 1.00737.35 N ATOM 13764 C2 U 0 696 170.899 24.207 108.224 1.00737.35 C ATOM 13765 O2 U 0 696 171.264 25.361 108.386 1.00737.35 O ATOM 13766 N3 U 0 696 169.847 23.887 107.398 1.00737.35 N ATOM 13767 C4 U 0 696 169.349 22.626 107.138 1.00737.35 C ATOM 13768 O4 U 0 696 168.392 22.499 106.372 1.00737.35 O ATOM 13769 C5 U 0 696 170.026 21.564 107.817 1.00737.35 C ATOM 13770 C6 U 0 696 171.052 21.840 108.627 1.00737.35 C ATOM 13771 P G 0 697 172.205 20.992 114.103 1.00737.35 P ATOM 13772 O1P G 0 697 173.301 20.006 114.274 1.00737.35 O ATOM 13773 O2P G 0 697 170.896 20.545 113.557 1.00737.35 O ATOM 13774 O5* G 0 697 171.963 21.701 115.509 1.00737.35 O ATOM 13775 C5* G 0 697 170.644 21.954 115.987 1.00737.35 C ATOM 13776 C4* G 0 697 170.365 23.438 115.987 1.00737.35 C ATOM 13777 O4* G 0 697 170.664 23.976 114.674 1.00737.35 O ATOM 13778 C3* G 0 697 168.916 23.825 116.246 1.00737.35 C ATOM 13779 O3* G 0 697 168.667 23.912 117.647 1.00737.35 O ATOM 13780 C2* G 0 697 168.812 25.181 115.557 1.00737.35 C ATOM 13781 O2* G 0 697 169.311 26.244 116.345 1.00737.35 O ATOM 13782 C1* G 0 697 169.719 24.976 114.339 1.00737.35 C ATOM 13783 N9 G 0 697 169.021 24.550 113.128 1.00737.35 N ATOM 13784 C8 G 0 697 168.328 23.377 112.935 1.00737.35 C ATOM 13785 N7 G 0 697 167.821 23.272 111.738 1.00737.35 N ATOM 13786 C5 G 0 697 168.198 24.446 111.100 1.00737.35 C ATOM 13787 C6 G 0 697 167.941 24.898 109.778 1.00737.35 C ATOM 13788 O6 G 0 697 167.309 24.331 108.880 1.00737.35 O ATOM 13789 N1 G 0 697 168.507 26.146 109.545 1.00737.35 N ATOM 13790 C2 G 0 697 169.231 26.869 110.462 1.00737.35 C ATOM 13791 N2 G 0 697 169.698 28.054 110.045 1.00737.35 N ATOM 13792 N3 G 0 697 169.480 26.461 111.696 1.00737.35 N ATOM 13793 C4 G 0 697 168.937 25.247 111.945 1.00737.35 C ATOM 13794 P A 0 698 167.244 23.453 118.243 1.00737.35 P ATOM 13795 O1P A 0 698 167.407 23.313 119.713 1.00737.35 O ATOM 13796 O2P A 0 698 166.740 22.302 117.448 1.00737.35 O ATOM 13797 O5* A 0 698 166.286 24.697 117.974 1.00737.35 O ATOM 13798 C5* A 0 698 166.750 26.034 118.147 1.00737.35 C ATOM 13799 C4* A 0 698 165.606 27.011 117.998 1.00737.35 C ATOM 13800 O4* A 0 698 164.952 26.775 116.726 1.00737.35 O ATOM 13801 C3* A 0 698 164.492 26.895 119.024 1.00737.35 C ATOM 13802 O3* A 0 698 164.825 27.660 120.179 1.00737.35 O ATOM 13803 C2* A 0 698 163.300 27.494 118.282 1.00737.35 C ATOM 13804 O2* A 0 698 163.271 28.906 118.323 1.00737.35 O ATOM 13805 C1* A 0 698 163.565 27.029 116.846 1.00737.35 C ATOM 13806 N9 A 0 698 162.838 25.822 116.452 1.00737.35 N ATOM 13807 C8 A 0 698 163.008 24.537 116.909 1.00737.35 C ATOM 13808 N7 A 0 698 162.205 23.668 116.347 1.00737.35 N ATOM 13809 C5 A 0 698 161.456 24.428 115.462 1.00737.35 C ATOM 13810 C6 A 0 698 160.430 24.095 114.560 1.00737.35 C ATOM 13811 N6 A 0 698 159.966 22.854 114.392 1.00737.35 N ATOM 13812 N1 A 0 698 159.891 25.091 113.826 1.00737.35 N ATOM 13813 C2 A 0 698 160.359 26.335 113.990 1.00737.35 C ATOM 13814 N3 A 0 698 161.316 26.772 114.803 1.00737.35 N ATOM 13815 C4 A 0 698 161.832 25.757 115.519 1.00737.35 C ATOM 13816 P G 0 699 163.995 27.467 121.545 1.00737.35 P ATOM 13817 O1P G 0 699 164.467 26.212 122.181 1.00737.35 O ATOM 13818 O2P G 0 699 162.548 27.645 121.252 1.00737.35 O ATOM 13819 O5* G 0 699 164.470 28.692 122.447 1.00737.35 O ATOM 13820 C5* G 0 699 164.750 29.961 121.856 1.00737.35 C ATOM 13821 C4* G 0 699 165.512 30.840 122.820 1.00737.35 C ATOM 13822 O4* G 0 699 166.651 30.110 123.350 1.00737.35 O ATOM 13823 C3* G 0 699 166.115 32.087 122.193 1.00737.35 C ATOM 13824 O3* G 0 699 165.164 33.146 122.156 1.00737.35 O ATOM 13825 C2* G 0 699 167.273 32.404 123.135 1.00737.35 C ATOM 13826 O2* G 0 699 166.870 33.120 124.287 1.00737.35 O ATOM 13827 C1* G 0 699 167.734 31.001 123.543 1.00737.35 C ATOM 13828 N9 G 0 699 168.893 30.485 122.819 1.00737.35 N ATOM 13829 C8 G 0 699 170.111 30.153 123.360 1.00737.35 C ATOM 13830 N7 G 0 699 170.964 29.714 122.475 1.00737.35 N ATOM 13831 C5 G 0 699 170.270 29.758 121.273 1.00737.35 C ATOM 13832 C6 G 0 699 170.678 29.398 119.964 1.00737.35 C ATOM 13833 O6 G 0 699 171.771 28.957 119.590 1.00737.35 O ATOM 13834 N1 G 0 699 169.659 29.598 119.038 1.00737.35 N ATOM 13835 C2 G 0 699 168.409 30.080 119.333 1.00737.35 C ATOM 13836 N2 G 0 699 167.564 30.202 118.299 1.00737.35 N ATOM 13837 N3 G 0 699 168.015 30.419 120.550 1.00737.35 N ATOM 13838 C4 G 0 699 168.990 30.233 121.466 1.00737.35 C ATOM 13839 P C 0 700 164.512 33.589 120.754 1.00737.35 P ATOM 13840 O1P C 0 700 163.627 34.747 121.036 1.00737.35 O ATOM 13841 O2P C 0 700 163.944 32.380 120.103 1.00737.35 O ATOM 13842 O5* C 0 700 165.740 34.118 119.885 1.00737.35 O ATOM 13843 C5* C 0 700 166.315 33.318 118.851 1.00737.35 C ATOM 13844 C4* C 0 700 166.078 33.960 117.503 1.00737.35 C ATOM 13845 O4* C 0 700 166.773 33.205 116.475 1.00737.35 O ATOM 13846 C3* C 0 700 164.628 33.983 117.044 1.00737.35 C ATOM 13847 O3* C 0 700 163.951 35.117 117.580 1.00737.35 O ATOM 13848 C2* C 0 700 164.765 34.057 115.528 1.00737.35 C ATOM 13849 O2* C 0 700 165.019 35.367 115.059 1.00737.35 O ATOM 13850 C1* C 0 700 165.992 33.170 115.291 1.00737.35 C ATOM 13851 N1 C 0 700 165.658 31.763 114.990 1.00737.35 N ATOM 13852 C2 C 0 700 165.458 31.372 113.651 1.00737.35 C ATOM 13853 O2 C 0 700 165.571 32.215 112.743 1.00737.35 O ATOM 13854 N3 C 0 700 165.151 30.083 113.383 1.00737.35 N ATOM 13855 C4 C 0 700 165.043 29.200 114.376 1.00737.35 C ATOM 13856 N4 C 0 700 164.744 27.939 114.058 1.00737.35 N ATOM 13857 C5 C 0 700 165.241 29.568 115.738 1.00737.35 C ATOM 13858 C6 C 0 700 165.541 30.843 115.996 1.00737.35 C ATOM 13859 P U 0 701 162.405 34.999 118.011 1.00737.35 P ATOM 13860 O1P U 0 701 162.121 36.135 118.926 1.00737.35 O ATOM 13861 O2P U 0 701 162.136 33.610 118.464 1.00737.35 O ATOM 13862 O5* U 0 701 161.607 35.237 116.654 1.00737.35 O ATOM 13863 C5* U 0 701 161.554 36.528 116.049 1.00737.35 C ATOM 13864 C4* U 0 701 160.554 36.533 114.917 1.00737.35 C ATOM 13865 O4* U 0 701 160.993 35.609 113.886 1.00737.35 O ATOM 13866 C3* U 0 701 159.153 36.060 115.276 1.00737.35 C ATOM 13867 O3* U 0 701 158.371 37.128 115.807 1.00737.35 O ATOM 13868 C2* U 0 701 158.615 35.587 113.931 1.00737.35 C ATOM 13869 O2* U 0 701 158.141 36.643 113.122 1.00737.35 O ATOM 13870 C1* U 0 701 159.869 34.970 113.302 1.00737.35 C ATOM 13871 N1 U 0 701 159.986 33.516 113.507 1.00737.35 N ATOM 13872 C2 U 0 701 159.279 32.681 112.652 1.00737.35 C ATOM 13873 O2 U 0 701 158.565 33.097 111.752 1.00737.35 O ATOM 13874 N3 U 0 701 159.437 31.339 112.892 1.00737.35 N ATOM 13875 C4 U 0 701 160.208 30.754 113.875 1.00737.35 C ATOM 13876 O4 U 0 701 160.254 29.526 113.959 1.00737.35 O ATOM 13877 C5 U 0 701 160.903 31.678 114.718 1.00737.35 C ATOM 13878 C6 U 0 701 160.773 32.992 114.512 1.00737.35 C ATOM 13879 P A 0 702 157.145 36.803 116.800 1.00737.35 P ATOM 13880 O1P A 0 702 156.474 38.092 117.109 1.00737.35 O ATOM 13881 O2P A 0 702 157.655 35.959 117.909 1.00737.35 O ATOM 13882 O5* A 0 702 156.152 35.923 115.916 1.00737.35 O ATOM 13883 C5* A 0 702 155.520 36.464 114.757 1.00737.35 C ATOM 13884 C4* A 0 702 154.843 35.367 113.966 1.00737.35 C ATOM 13885 O4* A 0 702 155.844 34.417 113.511 1.00737.35 O ATOM 13886 C3* A 0 702 153.842 34.522 114.741 1.00737.35 C ATOM 13887 O3* A 0 702 152.559 35.142 114.753 1.00737.35 O ATOM 13888 C2* A 0 702 153.841 33.218 113.953 1.00737.35 C ATOM 13889 O2* A 0 702 153.032 33.269 112.792 1.00737.35 O ATOM 13890 C1* A 0 702 155.314 33.101 113.554 1.00737.35 C ATOM 13891 N9 A 0 702 156.111 32.311 114.494 1.00737.35 N ATOM 13892 C8 A 0 702 156.869 32.770 115.547 1.00737.35 C ATOM 13893 N7 A 0 702 157.474 31.819 116.216 1.00737.35 N ATOM 13894 C5 A 0 702 157.090 30.656 115.566 1.00737.35 C ATOM 13895 C6 A 0 702 157.395 29.302 115.791 1.00737.35 C ATOM 13896 N6 A 0 702 158.189 28.878 116.773 1.00737.35 N ATOM 13897 N1 A 0 702 156.849 28.387 114.959 1.00737.35 N ATOM 13898 C2 A 0 702 156.052 28.815 113.972 1.00737.35 C ATOM 13899 N3 A 0 702 155.690 30.058 113.658 1.00737.35 N ATOM 13900 C4 A 0 702 156.251 30.943 114.504 1.00737.35 C ATOM 13901 P A 0 703 151.595 34.946 116.025 1.00737.35 P ATOM 13902 O1P A 0 703 150.307 35.610 115.708 1.00737.35 O ATOM 13903 O2P A 0 703 152.344 35.343 117.246 1.00737.35 O ATOM 13904 O5* A 0 703 151.342 33.373 116.071 1.00737.35 O ATOM 13905 C5* A 0 703 150.927 32.730 117.271 1.00737.35 C ATOM 13906 C4* A 0 703 150.779 31.245 117.042 1.00737.35 C ATOM 13907 O4* A 0 703 152.020 30.718 116.499 1.00737.35 O ATOM 13908 C3* A 0 703 150.528 30.412 118.287 1.00737.35 C ATOM 13909 O3* A 0 703 149.144 30.391 118.617 1.00737.35 O ATOM 13910 C2* A 0 703 151.037 29.039 117.866 1.00737.35 C ATOM 13911 O2* A 0 703 150.108 28.312 117.087 1.00737.35 O ATOM 13912 C1* A 0 703 152.249 29.413 117.011 1.00737.35 C ATOM 13913 N9 A 0 703 153.510 29.422 117.757 1.00737.35 N ATOM 13914 C8 A 0 703 154.169 30.501 118.300 1.00737.35 C ATOM 13915 N7 A 0 703 155.282 30.184 118.915 1.00737.35 N ATOM 13916 C5 A 0 703 155.364 28.808 118.767 1.00737.35 C ATOM 13917 C6 A 0 703 156.315 27.865 119.199 1.00737.35 C ATOM 13918 N6 A 0 703 157.409 28.183 119.894 1.00737.35 N ATOM 13919 N1 A 0 703 156.098 26.568 118.890 1.00737.35 N ATOM 13920 C2 A 0 703 155.002 26.251 118.194 1.00737.35 C ATOM 13921 N3 A 0 703 154.036 27.043 117.732 1.00737.35 N ATOM 13922 C4 A 0 703 154.281 28.325 118.057 1.00737.35 C ATOM 13923 P G 0 704 148.685 30.061 120.123 1.00737.35 P ATOM 13924 O1P G 0 704 147.211 30.235 120.184 1.00737.35 O ATOM 13925 O2P G 0 704 149.553 30.819 121.060 1.00737.35 O ATOM 13926 O5* G 0 704 149.011 28.508 120.289 1.00737.35 O ATOM 13927 C5* G 0 704 148.299 27.526 119.539 1.00737.35 C ATOM 13928 C4* G 0 704 148.894 26.156 119.765 1.00737.35 C ATOM 13929 O4* G 0 704 150.256 26.131 119.262 1.00737.35 O ATOM 13930 C3* G 0 704 149.024 25.720 121.217 1.00737.35 C ATOM 13931 O3* G 0 704 147.803 25.167 121.696 1.00737.35 O ATOM 13932 C2* G 0 704 150.135 24.682 121.145 1.00737.35 C ATOM 13933 O2* G 0 704 149.686 23.414 120.706 1.00737.35 O ATOM 13934 C1* G 0 704 151.055 25.297 120.088 1.00737.35 C ATOM 13935 N9 G 0 704 152.138 26.103 120.655 1.00737.35 N ATOM 13936 C8 G 0 704 152.238 27.474 120.666 1.00737.35 C ATOM 13937 N7 G 0 704 153.328 27.903 121.241 1.00737.35 N ATOM 13938 C5 G 0 704 153.988 26.749 121.635 1.00737.35 C ATOM 13939 C6 G 0 704 155.228 26.583 122.306 1.00737.35 C ATOM 13940 O6 G 0 704 156.015 27.453 122.701 1.00737.35 O ATOM 13941 N1 G 0 704 155.521 25.239 122.514 1.00737.35 N ATOM 13942 C2 G 0 704 154.727 24.188 122.123 1.00737.35 C ATOM 13943 N2 G 0 704 155.185 22.962 122.417 1.00737.35 N ATOM 13944 N3 G 0 704 153.574 24.329 121.492 1.00737.35 N ATOM 13945 C4 G 0 704 153.268 25.627 121.281 1.00737.35 C ATOM 13946 P C 0 705 147.507 25.131 123.276 1.00737.35 P ATOM 13947 O1P C 0 705 146.130 24.608 123.457 1.00737.35 O ATOM 13948 O2P C 0 705 147.872 26.450 123.855 1.00737.35 O ATOM 13949 O5* C 0 705 148.532 24.043 123.833 1.00737.35 O ATOM 13950 C5* C 0 705 148.390 22.665 123.496 1.00737.35 C ATOM 13951 C4* C 0 705 149.485 21.848 124.144 1.00737.35 C ATOM 13952 O4* C 0 705 150.771 22.237 123.597 1.00737.35 O ATOM 13953 C3* C 0 705 149.650 22.031 125.644 1.00737.35 C ATOM 13954 O3* C 0 705 148.728 21.226 126.372 1.00737.35 O ATOM 13955 C2* C 0 705 151.091 21.584 125.864 1.00737.35 C ATOM 13956 O2* C 0 705 151.235 20.180 125.927 1.00737.35 O ATOM 13957 C1* C 0 705 151.770 22.118 124.599 1.00737.35 C ATOM 13958 N1 C 0 705 152.415 23.436 124.793 1.00737.35 N ATOM 13959 C2 C 0 705 153.716 23.481 125.322 1.00737.35 C ATOM 13960 O2 C 0 705 154.292 22.416 125.612 1.00737.35 O ATOM 13961 N3 C 0 705 154.311 24.681 125.505 1.00737.35 N ATOM 13962 C4 C 0 705 153.666 25.805 125.186 1.00737.35 C ATOM 13963 N4 C 0 705 154.297 26.964 125.384 1.00737.35 N ATOM 13964 C5 C 0 705 152.347 25.788 124.647 1.00737.35 C ATOM 13965 C6 C 0 705 151.765 24.595 124.470 1.00737.35 C ATOM 13966 P A 0 706 148.246 21.693 127.833 1.00737.35 P ATOM 13967 O1P A 0 706 147.323 20.648 128.346 1.00737.35 O ATOM 13968 O2P A 0 706 147.783 23.102 127.749 1.00737.35 O ATOM 13969 O5* A 0 706 149.580 21.658 128.703 1.00737.35 O ATOM 13970 C5* A 0 706 150.206 20.419 129.035 1.00737.35 C ATOM 13971 C4* A 0 706 151.464 20.658 129.838 1.00737.35 C ATOM 13972 O4* A 0 706 152.456 21.324 129.015 1.00737.35 O ATOM 13973 C3* A 0 706 151.323 21.566 131.049 1.00737.35 C ATOM 13974 O3* A 0 706 150.821 20.845 132.171 1.00737.35 O ATOM 13975 C2* A 0 706 152.756 22.033 131.269 1.00737.35 C ATOM 13976 O2* A 0 706 153.542 21.100 131.984 1.00737.35 O ATOM 13977 C1* A 0 706 153.272 22.147 129.832 1.00737.35 C ATOM 13978 N9 A 0 706 153.255 23.511 129.297 1.00737.35 N ATOM 13979 C8 A 0 706 152.275 24.125 128.556 1.00737.35 C ATOM 13980 N7 A 0 706 152.561 25.360 128.221 1.00737.35 N ATOM 13981 C5 A 0 706 153.812 25.576 128.780 1.00737.35 C ATOM 13982 C6 A 0 706 154.670 26.693 128.781 1.00737.35 C ATOM 13983 N6 A 0 706 154.383 27.850 128.178 1.00737.35 N ATOM 13984 N1 A 0 706 155.847 26.578 129.433 1.00737.35 N ATOM 13985 C2 A 0 706 156.137 25.418 130.036 1.00737.35 C ATOM 13986 N3 A 0 706 155.416 24.301 130.102 1.00737.35 N ATOM 13987 C4 A 0 706 154.252 24.446 129.445 1.00737.35 C ATOM 13988 P U 0 707 149.984 21.615 133.308 1.00737.35 P ATOM 13989 O1P U 0 707 149.482 20.590 134.259 1.00737.35 O ATOM 13990 O2P U 0 707 149.018 22.532 132.645 1.00737.35 O ATOM 13991 O5* U 0 707 151.074 22.501 134.059 1.00737.35 O ATOM 13992 C5* U 0 707 152.183 21.893 134.721 1.00737.35 C ATOM 13993 C4* U 0 707 153.253 22.920 135.000 1.00737.35 C ATOM 13994 O4* U 0 707 153.727 23.469 133.740 1.00737.35 O ATOM 13995 C3* U 0 707 152.810 24.135 135.803 1.00737.35 C ATOM 13996 O3* U 0 707 152.862 23.868 137.200 1.00737.35 O ATOM 13997 C2* U 0 707 153.825 25.190 135.376 1.00737.35 C ATOM 13998 O2* U 0 707 155.061 25.081 136.053 1.00737.35 O ATOM 13999 C1* U 0 707 154.010 24.852 133.895 1.00737.35 C ATOM 14000 N1 U 0 707 153.127 25.617 132.998 1.00737.35 N ATOM 14001 C2 U 0 707 153.575 26.848 132.540 1.00737.35 C ATOM 14002 O2 U 0 707 154.661 27.320 132.842 1.00737.35 O ATOM 14003 N3 U 0 707 152.703 27.509 131.710 1.00737.35 N ATOM 14004 C4 U 0 707 151.458 27.082 131.298 1.00737.35 C ATOM 14005 O4 U 0 707 150.790 27.793 130.546 1.00737.35 O ATOM 14006 C5 U 0 707 151.065 25.805 131.812 1.00737.35 C ATOM 14007 C6 U 0 707 151.892 25.133 132.622 1.00737.35 C ATOM 14008 P G 0 708 152.101 24.846 138.227 1.00737.35 P ATOM 14009 O1P G 0 708 152.258 24.268 139.585 1.00737.35 O ATOM 14010 O2P G 0 708 150.739 25.120 137.699 1.00737.35 O ATOM 14011 O5* G 0 708 152.951 26.193 138.165 1.00737.35 O ATOM 14012 C5* G 0 708 152.401 27.437 138.590 1.00737.35 C ATOM 14013 C4* G 0 708 153.445 28.524 138.495 1.00737.35 C ATOM 14014 O4* G 0 708 153.989 28.545 137.149 1.00737.35 O ATOM 14015 C3* G 0 708 152.944 29.942 138.722 1.00737.35 C ATOM 14016 O3* G 0 708 152.904 30.251 140.113 1.00737.35 O ATOM 14017 C2* G 0 708 153.981 30.773 137.979 1.00737.35 C ATOM 14018 O2* G 0 708 155.165 30.978 138.724 1.00737.35 O ATOM 14019 C1* G 0 708 154.277 29.882 136.772 1.00737.35 C ATOM 14020 N9 G 0 708 153.480 30.212 135.592 1.00737.35 N ATOM 14021 C8 G 0 708 152.317 29.609 135.176 1.00737.35 C ATOM 14022 N7 G 0 708 151.835 30.126 134.079 1.00737.35 N ATOM 14023 C5 G 0 708 152.732 31.134 133.750 1.00737.35 C ATOM 14024 C6 G 0 708 152.737 32.042 132.659 1.00737.35 C ATOM 14025 O6 G 0 708 151.921 32.141 131.734 1.00737.35 O ATOM 14026 N1 G 0 708 153.833 32.899 132.710 1.00737.35 N ATOM 14027 C2 G 0 708 154.802 32.882 133.682 1.00737.35 C ATOM 14028 N2 G 0 708 155.780 33.789 133.557 1.00737.35 N ATOM 14029 N3 G 0 708 154.810 32.041 134.703 1.00737.35 N ATOM 14030 C4 G 0 708 153.754 31.200 134.675 1.00737.35 C ATOM 14031 P A 0 709 151.929 31.415 140.645 1.00737.35 P ATOM 14032 O1P A 0 709 152.036 31.439 142.125 1.00737.35 O ATOM 14033 O2P A 0 709 150.598 31.241 140.009 1.00737.35 O ATOM 14034 O5* A 0 709 152.581 32.754 140.075 1.00737.35 O ATOM 14035 C5* A 0 709 153.853 33.205 140.540 1.00737.35 C ATOM 14036 C4* A 0 709 154.314 34.402 139.736 1.00737.35 C ATOM 14037 O4* A 0 709 154.497 34.009 138.351 1.00737.35 O ATOM 14038 C3* A 0 709 153.343 35.570 139.676 1.00737.35 C ATOM 14039 O3* A 0 709 153.483 36.412 140.816 1.00737.35 O ATOM 14040 C2* A 0 709 153.765 36.271 138.389 1.00737.35 C ATOM 14041 O2* A 0 709 154.897 37.102 138.553 1.00737.35 O ATOM 14042 C1* A 0 709 154.120 35.081 137.498 1.00737.35 C ATOM 14043 N9 A 0 709 153.011 34.630 136.653 1.00737.35 N ATOM 14044 C8 A 0 709 152.126 33.606 136.890 1.00737.35 C ATOM 14045 N7 A 0 709 151.236 33.446 135.942 1.00737.35 N ATOM 14046 C5 A 0 709 151.551 34.430 135.017 1.00737.35 C ATOM 14047 C6 A 0 709 150.981 34.788 133.783 1.00737.35 C ATOM 14048 N6 A 0 709 149.926 34.166 133.248 1.00737.35 N ATOM 14049 N1 A 0 709 151.535 35.819 133.110 1.00737.35 N ATOM 14050 C2 A 0 709 152.592 36.441 133.648 1.00737.35 C ATOM 14051 N3 A 0 709 153.220 36.197 134.796 1.00737.35 N ATOM 14052 C4 A 0 709 152.644 35.168 135.441 1.00737.35 C ATOM 14053 P C 0 710 152.237 37.294 141.317 1.00737.35 P ATOM 14054 O1P C 0 710 152.631 37.921 142.605 1.00737.35 O ATOM 14055 O2P C 0 710 151.009 36.460 141.255 1.00737.35 O ATOM 14056 O5* C 0 710 152.111 38.442 140.217 1.00737.35 O ATOM 14057 C5* C 0 710 153.130 39.430 140.076 1.00737.35 C ATOM 14058 C4* C 0 710 152.851 40.307 138.876 1.00737.35 C ATOM 14059 O4* C 0 710 152.909 39.502 137.667 1.00737.35 O ATOM 14060 C3* C 0 710 151.473 40.947 138.834 1.00737.35 C ATOM 14061 O3* C 0 710 151.439 42.153 139.593 1.00737.35 O ATOM 14062 C2* C 0 710 151.284 41.208 137.344 1.00737.35 C ATOM 14063 O2* C 0 710 151.951 42.370 136.890 1.00737.35 O ATOM 14064 C1* C 0 710 151.938 39.964 136.738 1.00737.35 C ATOM 14065 N1 C 0 710 150.985 38.869 136.464 1.00737.35 N ATOM 14066 C2 C 0 710 150.206 38.925 135.297 1.00737.35 C ATOM 14067 O2 C 0 710 150.329 39.898 134.533 1.00737.35 O ATOM 14068 N3 C 0 710 149.338 37.922 135.034 1.00737.35 N ATOM 14069 C4 C 0 710 149.227 36.895 135.881 1.00737.35 C ATOM 14070 N4 C 0 710 148.359 35.927 135.576 1.00737.35 N ATOM 14071 C5 C 0 710 150.001 36.816 137.075 1.00737.35 C ATOM 14072 C6 C 0 710 150.857 37.813 137.324 1.00737.35 C ATOM 14073 P C 0 711 150.047 42.663 140.215 1.00737.35 P ATOM 14074 O1P C 0 711 150.345 43.867 141.034 1.00737.35 O ATOM 14075 O2P C 0 711 149.359 41.505 140.840 1.00737.35 O ATOM 14076 O5* C 0 711 149.202 43.120 138.942 1.00737.35 O ATOM 14077 C5* C 0 711 149.609 44.234 138.152 1.00737.35 C ATOM 14078 C4* C 0 711 148.628 44.469 137.026 1.00737.35 C ATOM 14079 O4* C 0 711 148.644 43.336 136.121 1.00737.35 O ATOM 14080 C3* C 0 711 147.169 44.601 137.435 1.00737.35 C ATOM 14081 O3* C 0 711 146.877 45.933 137.849 1.00737.35 O ATOM 14082 C2* C 0 711 146.438 44.227 136.150 1.00737.35 C ATOM 14083 O2* C 0 711 146.358 45.293 135.223 1.00737.35 O ATOM 14084 C1* C 0 711 147.343 43.124 135.595 1.00737.35 C ATOM 14085 N1 C 0 711 146.902 41.759 135.955 1.00737.35 N ATOM 14086 C2 C 0 711 146.009 41.087 135.103 1.00737.35 C ATOM 14087 O2 C 0 711 145.610 41.655 134.072 1.00737.35 O ATOM 14088 N3 C 0 711 145.603 39.837 135.427 1.00737.35 N ATOM 14089 C4 C 0 711 146.051 39.256 136.542 1.00737.35 C ATOM 14090 N4 C 0 711 145.625 38.023 136.819 1.00737.35 N ATOM 14091 C5 C 0 711 146.956 39.915 137.424 1.00737.35 C ATOM 14092 C6 C 0 711 147.353 41.152 137.095 1.00737.35 C ATOM 14093 P A 0 712 145.749 46.197 138.968 1.00737.35 P ATOM 14094 O1P A 0 712 145.636 44.980 139.814 1.00737.35 O ATOM 14095 O2P A 0 712 144.543 46.728 138.285 1.00737.35 O ATOM 14096 O5* A 0 712 146.364 47.363 139.863 1.00737.35 O ATOM 14097 C5* A 0 712 147.549 47.151 140.631 1.00737.35 C ATOM 14098 C4* A 0 712 147.986 48.438 141.288 1.00737.35 C ATOM 14099 O4* A 0 712 148.314 49.412 140.266 1.00737.35 O ATOM 14100 C3* A 0 712 146.932 49.128 142.143 1.00737.35 C ATOM 14101 O3* A 0 712 146.912 48.592 143.462 1.00737.35 O ATOM 14102 C2* A 0 712 147.402 50.579 142.129 1.00737.35 C ATOM 14103 O2* A 0 712 148.433 50.835 143.061 1.00737.35 O ATOM 14104 C1* A 0 712 147.949 50.710 140.706 1.00737.35 C ATOM 14105 N9 A 0 712 146.986 51.264 139.753 1.00737.35 N ATOM 14106 C8 A 0 712 145.933 50.628 139.139 1.00737.35 C ATOM 14107 N7 A 0 712 145.245 51.398 138.336 1.00737.35 N ATOM 14108 C5 A 0 712 145.883 52.628 138.421 1.00737.35 C ATOM 14109 C6 A 0 712 145.636 53.869 137.807 1.00737.35 C ATOM 14110 N6 A 0 712 144.639 54.085 136.950 1.00737.35 N ATOM 14111 N1 A 0 712 146.461 54.895 138.109 1.00737.35 N ATOM 14112 C2 A 0 712 147.462 54.678 138.971 1.00737.35 C ATOM 14113 N3 A 0 712 147.796 53.561 139.611 1.00737.35 N ATOM 14114 C4 A 0 712 146.957 52.560 139.290 1.00737.35 C ATOM 14115 P G 0 713 145.508 48.384 144.218 1.00737.35 P ATOM 14116 O1P G 0 713 145.814 47.988 145.616 1.00737.35 O ATOM 14117 O2P G 0 713 144.652 47.506 143.379 1.00737.35 O ATOM 14118 O5* G 0 713 144.871 49.845 144.250 1.00737.35 O ATOM 14119 C5* G 0 713 143.458 50.031 144.267 1.00737.35 C ATOM 14120 C4* G 0 713 143.117 51.456 143.902 1.00737.35 C ATOM 14121 O4* G 0 713 143.766 51.796 142.648 1.00737.35 O ATOM 14122 C3* G 0 713 141.642 51.735 143.660 1.00737.35 C ATOM 14123 O3* G 0 713 140.963 52.012 144.881 1.00737.35 O ATOM 14124 C2* G 0 713 141.692 52.952 142.744 1.00737.35 C ATOM 14125 O2* G 0 713 141.904 54.164 143.441 1.00737.35 O ATOM 14126 C1* G 0 713 142.914 52.631 141.880 1.00737.35 C ATOM 14127 N9 G 0 713 142.582 51.935 140.638 1.00737.35 N ATOM 14128 C8 G 0 713 142.602 50.578 140.415 1.00737.35 C ATOM 14129 N7 G 0 713 142.259 50.253 139.199 1.00737.35 N ATOM 14130 C5 G 0 713 141.995 51.467 138.578 1.00737.35 C ATOM 14131 C6 G 0 713 141.580 51.750 137.253 1.00737.35 C ATOM 14132 O6 G 0 713 141.355 50.956 136.331 1.00737.35 O ATOM 14133 N1 G 0 713 141.427 53.115 137.044 1.00737.35 N ATOM 14134 C2 G 0 713 141.647 54.089 137.989 1.00737.35 C ATOM 14135 N2 G 0 713 141.446 55.353 137.594 1.00737.35 N ATOM 14136 N3 G 0 713 142.037 53.839 139.228 1.00737.35 N ATOM 14137 C4 G 0 713 142.190 52.515 139.454 1.00737.35 C ATOM 14138 P G 0 714 139.373 51.780 144.980 1.00737.35 P ATOM 14139 O1P G 0 714 138.976 52.064 146.384 1.00737.35 O ATOM 14140 O2P G 0 714 139.047 50.461 144.381 1.00737.35 O ATOM 14141 O5* G 0 714 138.761 52.919 144.048 1.00737.35 O ATOM 14142 C5* G 0 714 138.905 54.297 144.382 1.00737.35 C ATOM 14143 C4* G 0 714 138.429 55.170 143.242 1.00737.35 C ATOM 14144 O4* G 0 714 139.259 54.937 142.075 1.00737.35 O ATOM 14145 C3* G 0 714 137.011 54.912 142.753 1.00737.35 C ATOM 14146 O3* G 0 714 136.058 55.603 143.555 1.00737.35 O ATOM 14147 C2* G 0 714 137.060 55.456 141.329 1.00737.35 C ATOM 14148 O2* G 0 714 136.926 56.864 141.267 1.00737.35 O ATOM 14149 C1* G 0 714 138.472 55.049 140.899 1.00737.35 C ATOM 14150 N9 G 0 714 138.515 53.778 140.182 1.00737.35 N ATOM 14151 C8 G 0 714 138.896 52.553 140.677 1.00737.35 C ATOM 14152 N7 G 0 714 138.832 51.597 139.792 1.00737.35 N ATOM 14153 C5 G 0 714 138.381 52.225 138.638 1.00737.35 C ATOM 14154 C6 G 0 714 138.116 51.698 137.348 1.00737.35 C ATOM 14155 O6 G 0 714 138.232 50.531 136.951 1.00737.35 O ATOM 14156 N1 G 0 714 137.671 52.685 136.475 1.00737.35 N ATOM 14157 C2 G 0 714 137.503 54.008 136.797 1.00737.35 C ATOM 14158 N2 G 0 714 137.062 54.806 135.812 1.00737.35 N ATOM 14159 N3 G 0 714 137.747 54.513 137.995 1.00737.35 N ATOM 14160 C4 G 0 714 138.179 53.572 138.863 1.00737.35 C ATOM 14161 P U 0 715 134.546 55.060 143.642 1.00737.35 P ATOM 14162 O1P U 0 715 133.813 55.948 144.580 1.00737.35 O ATOM 14163 O2P U 0 715 134.584 53.597 143.899 1.00737.35 O ATOM 14164 O5* U 0 715 133.968 55.294 142.177 1.00737.35 O ATOM 14165 C5* U 0 715 133.791 56.612 141.660 1.00737.35 C ATOM 14166 C4* U 0 715 133.313 56.560 140.227 1.00737.35 C ATOM 14167 O4* U 0 715 134.328 55.937 139.398 1.00737.35 O ATOM 14168 C3* U 0 715 132.060 55.732 139.974 1.00737.35 C ATOM 14169 O3* U 0 715 130.888 56.492 140.241 1.00737.35 O ATOM 14170 C2* U 0 715 132.196 55.391 138.495 1.00737.35 C ATOM 14171 O2* U 0 715 131.771 56.436 137.641 1.00737.35 O ATOM 14172 C1* U 0 715 133.710 55.195 138.360 1.00737.35 C ATOM 14173 N1 U 0 715 134.139 53.790 138.457 1.00737.35 N ATOM 14174 C2 U 0 715 134.124 53.023 137.299 1.00737.35 C ATOM 14175 O2 U 0 715 133.774 53.462 136.214 1.00737.35 O ATOM 14176 N3 U 0 715 134.540 51.723 137.458 1.00737.35 N ATOM 14177 C4 U 0 715 134.956 51.121 138.627 1.00737.35 C ATOM 14178 O4 U 0 715 135.304 49.938 138.607 1.00737.35 O ATOM 14179 C5 U 0 715 134.941 51.971 139.776 1.00737.35 C ATOM 14180 C6 U 0 715 134.543 53.242 139.658 1.00737.35 C ATOM 14181 P U 0 716 129.539 55.745 140.703 1.00737.35 P ATOM 14182 O1P U 0 716 128.553 56.798 141.062 1.00737.35 O ATOM 14183 O2P U 0 716 129.892 54.703 141.702 1.00737.35 O ATOM 14184 O5* U 0 716 129.031 55.015 139.381 1.00737.35 O ATOM 14185 C5* U 0 716 128.564 55.768 138.262 1.00737.35 C ATOM 14186 C4* U 0 716 128.371 54.866 137.065 1.00737.35 C ATOM 14187 O4* U 0 716 129.650 54.291 136.687 1.00737.35 O ATOM 14188 C3* U 0 716 127.468 53.661 137.279 1.00737.35 C ATOM 14189 O3* U 0 716 126.096 54.005 137.096 1.00737.35 O ATOM 14190 C2* U 0 716 127.950 52.698 136.201 1.00737.35 C ATOM 14191 O2* U 0 716 127.417 52.984 134.922 1.00737.35 O ATOM 14192 C1* U 0 716 129.457 52.970 136.205 1.00737.35 C ATOM 14193 N1 U 0 716 130.220 52.035 137.053 1.00737.35 N ATOM 14194 C2 U 0 716 130.568 50.806 136.514 1.00737.35 C ATOM 14195 O2 U 0 716 130.274 50.468 135.377 1.00737.35 O ATOM 14196 N3 U 0 716 131.277 49.984 137.355 1.00737.35 N ATOM 14197 C4 U 0 716 131.664 50.254 138.651 1.00737.35 C ATOM 14198 O4 U 0 716 132.303 49.408 139.279 1.00737.35 O ATOM 14199 C5 U 0 716 131.266 51.537 139.137 1.00737.35 C ATOM 14200 C6 U 0 716 130.575 52.363 138.344 1.00737.35 C ATOM 14201 P G 0 717 124.985 53.435 138.108 1.00737.35 P ATOM 14202 O1P G 0 717 123.657 53.667 137.484 1.00737.35 O ATOM 14203 O2P G 0 717 125.263 53.983 139.461 1.00737.35 O ATOM 14204 O5* G 0 717 125.249 51.863 138.145 1.00737.35 O ATOM 14205 C5* G 0 717 125.181 51.077 136.957 1.00737.35 C ATOM 14206 C4* G 0 717 125.829 49.730 137.183 1.00737.35 C ATOM 14207 O4* G 0 717 127.217 49.928 137.555 1.00737.35 O ATOM 14208 C3* G 0 717 125.244 48.903 138.318 1.00737.35 C ATOM 14209 O3* G 0 717 124.135 48.137 137.860 1.00737.35 O ATOM 14210 C2* G 0 717 126.415 48.005 138.704 1.00737.35 C ATOM 14211 O2* G 0 717 126.547 46.875 137.866 1.00737.35 O ATOM 14212 C1* G 0 717 127.605 48.944 138.499 1.00737.35 C ATOM 14213 N9 G 0 717 128.041 49.619 139.719 1.00737.35 N ATOM 14214 C8 G 0 717 127.574 50.809 140.227 1.00737.35 C ATOM 14215 N7 G 0 717 128.161 51.160 141.338 1.00737.35 N ATOM 14216 C5 G 0 717 129.072 50.142 141.582 1.00737.35 C ATOM 14217 C6 G 0 717 129.998 49.972 142.644 1.00737.35 C ATOM 14218 O6 G 0 717 130.206 50.711 143.614 1.00737.35 O ATOM 14219 N1 G 0 717 130.728 48.794 142.502 1.00737.35 N ATOM 14220 C2 G 0 717 130.588 47.897 141.473 1.00737.35 C ATOM 14221 N2 G 0 717 131.385 46.818 141.514 1.00737.35 N ATOM 14222 N3 G 0 717 129.730 48.044 140.477 1.00737.35 N ATOM 14223 C4 G 0 717 129.011 49.181 140.593 1.00737.35 C ATOM 14224 P A 0 718 122.922 47.808 138.863 1.00737.35 P ATOM 14225 O1P A 0 718 122.056 49.014 138.925 1.00737.35 O ATOM 14226 O2P A 0 718 123.487 47.246 140.115 1.00737.35 O ATOM 14227 O5* A 0 718 122.115 46.653 138.117 1.00737.35 O ATOM 14228 C5* A 0 718 121.551 46.870 136.826 1.00737.35 C ATOM 14229 C4* A 0 718 121.554 45.586 136.027 1.00737.35 C ATOM 14230 O4* A 0 718 122.925 45.138 135.844 1.00737.35 O ATOM 14231 C3* A 0 718 120.857 44.396 136.669 1.00737.35 C ATOM 14232 O3* A 0 718 119.455 44.427 136.419 1.00737.35 O ATOM 14233 C2* A 0 718 121.529 43.218 135.976 1.00737.35 C ATOM 14234 O2* A 0 718 121.002 42.953 134.691 1.00737.35 O ATOM 14235 C1* A 0 718 122.969 43.719 135.853 1.00737.35 C ATOM 14236 N9 A 0 718 123.831 43.285 136.957 1.00737.35 N ATOM 14237 C8 A 0 718 124.223 44.002 138.060 1.00737.35 C ATOM 14238 N7 A 0 718 124.998 43.332 138.878 1.00737.35 N ATOM 14239 C5 A 0 718 125.124 42.089 138.274 1.00737.35 C ATOM 14240 C6 A 0 718 125.819 40.922 138.643 1.00737.35 C ATOM 14241 N6 A 0 718 126.549 40.816 139.758 1.00737.35 N ATOM 14242 N1 A 0 718 125.740 39.856 137.818 1.00737.35 N ATOM 14243 C2 A 0 718 125.008 39.963 136.701 1.00737.35 C ATOM 14244 N3 A 0 718 124.313 41.002 136.246 1.00737.35 N ATOM 14245 C4 A 0 718 124.412 42.046 137.088 1.00737.35 C ATOM 14246 P A 0 719 118.448 43.667 137.419 1.00737.35 P ATOM 14247 O1P A 0 719 117.068 43.920 136.928 1.00737.35 O ATOM 14248 O2P A 0 719 118.807 44.026 138.814 1.00737.35 O ATOM 14249 O5* A 0 719 118.780 42.124 137.200 1.00737.35 O ATOM 14250 C5* A 0 719 118.530 41.489 135.945 1.00737.35 C ATOM 14251 C4* A 0 719 119.045 40.067 135.964 1.00737.35 C ATOM 14252 O4* A 0 719 120.484 40.078 136.154 1.00737.35 O ATOM 14253 C3* A 0 719 118.525 39.191 137.094 1.00737.35 C ATOM 14254 O3* A 0 719 117.263 38.619 136.763 1.00737.35 O ATOM 14255 C2* A 0 719 119.613 38.130 137.206 1.00737.35 C ATOM 14256 O2* A 0 719 119.498 37.109 136.236 1.00737.35 O ATOM 14257 C1* A 0 719 120.871 38.962 136.939 1.00737.35 C ATOM 14258 N9 A 0 719 121.514 39.448 138.160 1.00737.35 N ATOM 14259 C8 A 0 719 121.321 40.651 138.799 1.00737.35 C ATOM 14260 N7 A 0 719 122.043 40.797 139.882 1.00737.35 N ATOM 14261 C5 A 0 719 122.761 39.614 139.966 1.00737.35 C ATOM 14262 C6 A 0 719 123.709 39.145 140.894 1.00737.35 C ATOM 14263 N6 A 0 719 124.110 39.845 141.958 1.00737.35 N ATOM 14264 N1 A 0 719 124.238 37.919 140.690 1.00737.35 N ATOM 14265 C2 A 0 719 123.835 37.220 139.622 1.00737.35 C ATOM 14266 N3 A 0 719 122.954 37.550 138.680 1.00737.35 N ATOM 14267 C4 A 0 719 122.446 38.773 138.913 1.00737.35 C ATOM 14268 P A 0 720 116.152 38.425 137.909 1.00737.35 P ATOM 14269 O1P A 0 720 115.029 37.657 137.313 1.00737.35 O ATOM 14270 O2P A 0 720 115.885 39.748 138.532 1.00737.35 O ATOM 14271 O5* A 0 720 116.872 37.503 138.993 1.00737.35 O ATOM 14272 C5* A 0 720 117.179 36.140 138.708 1.00737.35 C ATOM 14273 C4* A 0 720 117.981 35.536 139.838 1.00737.35 C ATOM 14274 O4* A 0 720 119.266 36.208 139.931 1.00737.35 O ATOM 14275 C3* A 0 720 117.380 35.691 141.227 1.00737.35 C ATOM 14276 O3* A 0 720 116.421 34.671 141.496 1.00737.35 O ATOM 14277 C2* A 0 720 118.608 35.567 142.123 1.00737.35 C ATOM 14278 O2* A 0 720 119.013 34.229 142.335 1.00737.35 O ATOM 14279 C1* A 0 720 119.659 36.304 141.292 1.00737.35 C ATOM 14280 N9 A 0 720 119.778 37.722 141.643 1.00737.35 N ATOM 14281 C8 A 0 720 119.190 38.801 141.025 1.00737.35 C ATOM 14282 N7 A 0 720 119.482 39.952 141.580 1.00737.35 N ATOM 14283 C5 A 0 720 120.318 39.610 142.634 1.00737.35 C ATOM 14284 C6 A 0 720 120.970 40.382 143.612 1.00737.35 C ATOM 14285 N6 A 0 720 120.876 41.711 143.691 1.00737.35 N ATOM 14286 N1 A 0 720 121.733 39.732 144.519 1.00737.35 N ATOM 14287 C2 A 0 720 121.827 38.399 144.440 1.00737.35 C ATOM 14288 N3 A 0 720 121.262 37.565 143.571 1.00737.35 N ATOM 14289 C4 A 0 720 120.513 38.241 142.683 1.00737.35 C ATOM 14290 P C 0 721 115.083 35.037 142.310 1.00737.35 P ATOM 14291 O1P C 0 721 114.374 33.762 142.588 1.00737.35 O ATOM 14292 O2P C 0 721 114.378 36.124 141.584 1.00737.35 O ATOM 14293 O5* C 0 721 115.619 35.628 143.690 1.00737.35 O ATOM 14294 C5* C 0 721 116.209 34.778 144.673 1.00737.35 C ATOM 14295 C4* C 0 721 116.539 35.563 145.922 1.00737.35 C ATOM 14296 O4* C 0 721 117.596 36.516 145.638 1.00737.35 O ATOM 14297 C3* C 0 721 115.414 36.415 146.490 1.00737.35 C ATOM 14298 O3* C 0 721 114.538 35.635 147.297 1.00737.35 O ATOM 14299 C2* C 0 721 116.178 37.449 147.307 1.00737.35 C ATOM 14300 O2* C 0 721 116.568 36.976 148.582 1.00737.35 O ATOM 14301 C1* C 0 721 117.419 37.675 146.436 1.00737.35 C ATOM 14302 N1 C 0 721 117.321 38.857 145.554 1.00737.35 N ATOM 14303 C2 C 0 721 117.694 40.117 146.061 1.00737.35 C ATOM 14304 O2 C 0 721 118.093 40.205 147.235 1.00737.35 O ATOM 14305 N3 C 0 721 117.608 41.200 145.258 1.00737.35 N ATOM 14306 C4 C 0 721 117.173 41.071 144.002 1.00737.35 C ATOM 14307 N4 C 0 721 117.107 42.171 143.248 1.00737.35 N ATOM 14308 C5 C 0 721 116.788 39.809 143.463 1.00737.35 C ATOM 14309 C6 C 0 721 116.877 38.740 144.264 1.00737.35 C ATOM 14310 P C 0 722 112.989 36.047 147.421 1.00737.35 P ATOM 14311 O1P C 0 722 112.296 34.946 148.135 1.00737.35 O ATOM 14312 O2P C 0 722 112.501 36.471 146.083 1.00737.35 O ATOM 14313 O5* C 0 722 113.008 37.328 148.370 1.00737.35 O ATOM 14314 C5* C 0 722 113.288 37.200 149.764 1.00737.35 C ATOM 14315 C4* C 0 722 113.322 38.559 150.423 1.00737.35 C ATOM 14316 O4* C 0 722 114.433 39.331 149.894 1.00737.35 O ATOM 14317 C3* C 0 722 112.109 39.446 150.186 1.00737.35 C ATOM 14318 O3* C 0 722 111.051 39.121 151.082 1.00737.35 O ATOM 14319 C2* C 0 722 112.674 40.839 150.449 1.00737.35 C ATOM 14320 O2* C 0 722 112.752 41.159 151.824 1.00737.35 O ATOM 14321 C1* C 0 722 114.086 40.706 149.866 1.00737.35 C ATOM 14322 N1 C 0 722 114.198 41.201 148.477 1.00737.35 N ATOM 14323 C2 C 0 722 114.480 42.562 148.265 1.00737.35 C ATOM 14324 O2 C 0 722 114.632 43.311 149.245 1.00737.35 O ATOM 14325 N3 C 0 722 114.577 43.025 146.998 1.00737.35 N ATOM 14326 C4 C 0 722 114.408 42.194 145.967 1.00737.35 C ATOM 14327 N4 C 0 722 114.510 42.697 144.735 1.00737.35 N ATOM 14328 C5 C 0 722 114.126 40.809 146.154 1.00737.35 C ATOM 14329 C6 C 0 722 114.030 40.359 147.413 1.00737.35 C ATOM 14330 P C 0 723 109.532 39.470 150.683 1.00737.35 P ATOM 14331 O1P C 0 723 108.655 38.873 151.723 1.00737.35 O ATOM 14332 O2P C 0 723 109.323 39.112 149.256 1.00737.35 O ATOM 14333 O5* C 0 723 109.455 41.055 150.816 1.00737.35 O ATOM 14334 C5* C 0 723 109.572 41.690 152.088 1.00737.35 C ATOM 14335 C4* C 0 723 109.673 43.191 151.925 1.00737.35 C ATOM 14336 O4* C 0 723 110.883 43.518 151.193 1.00737.35 O ATOM 14337 C3* C 0 723 108.567 43.854 151.123 1.00737.35 C ATOM 14338 O3* C 0 723 107.417 44.096 151.927 1.00737.35 O ATOM 14339 C2* C 0 723 109.230 45.149 150.675 1.00737.35 C ATOM 14340 O2* C 0 723 109.235 46.148 151.676 1.00737.35 O ATOM 14341 C1* C 0 723 110.664 44.679 150.407 1.00737.35 C ATOM 14342 N1 C 0 723 110.911 44.354 148.987 1.00737.35 N ATOM 14343 C2 C 0 723 111.328 45.378 148.122 1.00737.35 C ATOM 14344 O2 C 0 723 111.487 46.525 148.572 1.00737.35 O ATOM 14345 N3 C 0 723 111.547 45.092 146.818 1.00737.35 N ATOM 14346 C4 C 0 723 111.368 43.849 146.368 1.00737.35 C ATOM 14347 N4 C 0 723 111.591 43.618 145.071 1.00737.35 N ATOM 14348 C5 C 0 723 110.951 42.789 147.223 1.00737.35 C ATOM 14349 C6 C 0 723 110.738 43.082 148.513 1.00737.35 C ATOM 14350 P C 0 724 105.970 44.218 151.235 1.00737.35 P ATOM 14351 O1P C 0 724 104.973 44.394 152.322 1.00737.35 O ATOM 14352 O2P C 0 724 105.812 43.098 150.270 1.00737.35 O ATOM 14353 O5* C 0 724 106.053 45.579 150.408 1.00737.35 O ATOM 14354 C5* C 0 724 106.158 46.836 151.076 1.00737.35 C ATOM 14355 C4* C 0 724 106.179 47.968 150.073 1.00737.35 C ATOM 14356 O4* C 0 724 107.377 47.875 149.259 1.00737.35 O ATOM 14357 C3* C 0 724 105.045 47.985 149.062 1.00737.35 C ATOM 14358 O3* C 0 724 103.880 48.596 149.607 1.00737.35 O ATOM 14359 C2* C 0 724 105.640 48.808 147.924 1.00737.35 C ATOM 14360 O2* C 0 724 105.569 50.202 148.151 1.00737.35 O ATOM 14361 C1* C 0 724 107.101 48.353 147.950 1.00737.35 C ATOM 14362 N1 C 0 724 107.407 47.286 146.976 1.00737.35 N ATOM 14363 C2 C 0 724 107.712 47.646 145.650 1.00737.35 C ATOM 14364 O2 C 0 724 107.719 48.848 145.334 1.00737.35 O ATOM 14365 N3 C 0 724 107.993 46.674 144.753 1.00737.35 N ATOM 14366 C4 C 0 724 107.976 45.393 145.124 1.00737.35 C ATOM 14367 N4 C 0 724 108.258 44.471 144.200 1.00737.35 N ATOM 14368 C5 C 0 724 107.671 44.998 146.459 1.00737.35 C ATOM 14369 C6 C 0 724 107.394 45.968 147.344 1.00737.35 C ATOM 14370 P C 0 725 102.429 48.180 149.053 1.00737.35 P ATOM 14371 O1P C 0 725 101.420 48.856 149.910 1.00737.35 O ATOM 14372 O2P C 0 725 102.386 46.704 148.898 1.00737.35 O ATOM 14373 O5* C 0 725 102.370 48.833 147.599 1.00737.35 O ATOM 14374 C5* C 0 725 102.200 50.239 147.432 1.00737.35 C ATOM 14375 C4* C 0 725 101.758 50.552 146.022 1.00737.35 C ATOM 14376 O4* C 0 725 102.832 50.242 145.095 1.00737.35 O ATOM 14377 C3* C 0 725 100.576 49.750 145.506 1.00737.35 C ATOM 14378 O3* C 0 725 99.341 50.323 145.932 1.00737.35 O ATOM 14379 C2* C 0 725 100.759 49.837 143.995 1.00737.35 C ATOM 14380 O2* C 0 725 100.282 51.047 143.445 1.00737.35 O ATOM 14381 C1* C 0 725 102.286 49.777 143.869 1.00737.35 C ATOM 14382 N1 C 0 725 102.807 48.420 143.603 1.00737.35 N ATOM 14383 C2 C 0 725 102.947 47.997 142.269 1.00737.35 C ATOM 14384 O2 C 0 725 102.634 48.771 141.348 1.00737.35 O ATOM 14385 N3 C 0 725 103.421 46.754 142.019 1.00737.35 N ATOM 14386 C4 C 0 725 103.750 45.946 143.030 1.00737.35 C ATOM 14387 N4 C 0 725 104.212 44.732 142.734 1.00737.35 N ATOM 14388 C5 C 0 725 103.617 46.351 144.390 1.00737.35 C ATOM 14389 C6 C 0 725 103.147 47.582 144.630 1.00737.35 C ATOM 14390 P G 0 726 98.196 49.380 146.559 1.00737.35 P ATOM 14391 O1P G 0 726 97.706 50.057 147.786 1.00737.35 O ATOM 14392 O2P G 0 726 98.706 47.987 146.648 1.00737.35 O ATOM 14393 O5* G 0 726 97.038 49.405 145.466 1.00737.35 O ATOM 14394 C5* G 0 726 95.943 50.316 145.569 1.00737.35 C ATOM 14395 C4* G 0 726 94.874 49.967 144.560 1.00737.35 C ATOM 14396 O4* G 0 726 95.394 50.164 143.220 1.00737.35 O ATOM 14397 C3* G 0 726 94.402 48.523 144.575 1.00737.35 C ATOM 14398 O3* G 0 726 93.388 48.323 145.556 1.00737.35 O ATOM 14399 C2* G 0 726 93.867 48.340 143.158 1.00737.35 C ATOM 14400 O2* G 0 726 92.559 48.850 142.989 1.00737.35 O ATOM 14401 C1* G 0 726 94.861 49.180 142.350 1.00737.35 C ATOM 14402 N9 G 0 726 95.968 48.402 141.796 1.00737.35 N ATOM 14403 C8 G 0 726 97.146 48.068 142.422 1.00737.35 C ATOM 14404 N7 G 0 726 97.945 47.365 141.668 1.00737.35 N ATOM 14405 C5 G 0 726 97.255 47.224 140.472 1.00737.35 C ATOM 14406 C6 G 0 726 97.620 46.555 139.275 1.00737.35 C ATOM 14407 O6 G 0 726 98.660 45.935 139.023 1.00737.35 O ATOM 14408 N1 G 0 726 96.624 46.656 138.308 1.00737.35 N ATOM 14409 C2 G 0 726 95.431 47.317 138.470 1.00737.35 C ATOM 14410 N2 G 0 726 94.600 47.302 137.418 1.00737.35 N ATOM 14411 N3 G 0 726 95.079 47.942 139.581 1.00737.35 N ATOM 14412 C4 G 0 726 96.031 47.855 140.534 1.00737.35 C ATOM 14413 P U 0 727 93.339 46.945 146.385 1.00737.35 P ATOM 14414 O1P U 0 727 92.145 47.002 147.267 1.00737.35 O ATOM 14415 O2P U 0 727 94.681 46.708 146.979 1.00737.35 O ATOM 14416 O5* U 0 727 93.085 45.832 145.272 1.00737.35 O ATOM 14417 C5* U 0 727 91.861 45.792 144.540 1.00737.35 C ATOM 14418 C4* U 0 727 91.956 44.794 143.408 1.00737.35 C ATOM 14419 O4* U 0 727 92.987 45.219 142.479 1.00737.35 O ATOM 14420 C3* U 0 727 92.367 43.383 143.803 1.00737.35 C ATOM 14421 O3* U 0 727 91.240 42.628 144.235 1.00737.35 O ATOM 14422 C2* U 0 727 92.947 42.841 142.503 1.00737.35 C ATOM 14423 O2* U 0 727 91.959 42.394 141.595 1.00737.35 O ATOM 14424 C1* U 0 727 93.645 44.084 141.941 1.00737.35 C ATOM 14425 N1 U 0 727 95.076 44.164 142.278 1.00737.35 N ATOM 14426 C2 U 0 727 95.983 43.601 141.390 1.00737.35 C ATOM 14427 O2 U 0 727 95.649 43.054 140.351 1.00737.35 O ATOM 14428 N3 U 0 727 97.300 43.703 141.767 1.00737.35 N ATOM 14429 C4 U 0 727 97.796 44.295 142.910 1.00737.35 C ATOM 14430 O4 U 0 727 99.012 44.306 143.107 1.00737.35 O ATOM 14431 C5 U 0 727 96.801 44.852 143.776 1.00737.35 C ATOM 14432 C6 U 0 727 95.509 44.768 143.439 1.00737.35 C ATOM 14433 P G 0 728 91.328 41.752 145.584 1.00737.35 P ATOM 14434 O1P G 0 728 89.934 41.437 145.987 1.00737.35 O ATOM 14435 O2P G 0 728 92.229 42.439 146.547 1.00737.35 O ATOM 14436 O5* G 0 728 92.022 40.389 145.129 1.00737.35 O ATOM 14437 C5* G 0 728 93.385 40.356 144.716 1.00737.35 C ATOM 14438 C4* G 0 728 93.894 38.934 144.718 1.00737.35 C ATOM 14439 O4* G 0 728 93.033 38.116 143.878 1.00737.35 O ATOM 14440 C3* G 0 728 95.286 38.730 144.139 1.00737.35 C ATOM 14441 O3* G 0 728 96.293 38.973 145.117 1.00737.35 O ATOM 14442 C2* G 0 728 95.247 37.262 143.727 1.00737.35 C ATOM 14443 O2* G 0 728 95.465 36.375 144.807 1.00737.35 O ATOM 14444 C1* G 0 728 93.809 37.122 143.225 1.00737.35 C ATOM 14445 N9 G 0 728 93.680 37.304 141.782 1.00737.35 N ATOM 14446 C8 G 0 728 93.355 38.462 141.113 1.00737.35 C ATOM 14447 N7 G 0 728 93.319 38.314 139.816 1.00737.35 N ATOM 14448 C5 G 0 728 93.639 36.977 139.615 1.00737.35 C ATOM 14449 C6 G 0 728 93.756 36.230 138.414 1.00737.35 C ATOM 14450 O6 G 0 728 93.594 36.615 137.248 1.00737.35 O ATOM 14451 N1 G 0 728 94.095 34.907 138.665 1.00737.35 N ATOM 14452 C2 G 0 728 94.298 34.365 139.910 1.00737.35 C ATOM 14453 N2 G 0 728 94.620 33.064 139.944 1.00737.35 N ATOM 14454 N3 G 0 728 94.192 35.049 141.038 1.00737.35 N ATOM 14455 C4 G 0 728 93.861 36.339 140.819 1.00737.35 C ATOM 14456 P A 0 729 97.658 39.707 144.696 1.00737.35 P ATOM 14457 O1P A 0 729 98.573 39.644 145.863 1.00737.35 O ATOM 14458 O2P A 0 729 97.316 41.028 144.104 1.00737.35 O ATOM 14459 O5* A 0 729 98.262 38.788 143.541 1.00737.35 O ATOM 14460 C5* A 0 729 98.550 37.410 143.773 1.00737.35 C ATOM 14461 C4* A 0 729 98.688 36.674 142.459 1.00737.35 C ATOM 14462 O4* A 0 729 97.458 36.825 141.703 1.00737.35 O ATOM 14463 C3* A 0 729 99.773 37.185 141.523 1.00737.35 C ATOM 14464 O3* A 0 729 101.033 36.597 141.837 1.00737.35 O ATOM 14465 C2* A 0 729 99.261 36.731 140.161 1.00737.35 C ATOM 14466 O2* A 0 729 99.526 35.367 139.892 1.00737.35 O ATOM 14467 C1* A 0 729 97.755 36.941 140.320 1.00737.35 C ATOM 14468 N9 A 0 729 97.299 38.255 139.857 1.00737.35 N ATOM 14469 C8 A 0 729 97.212 39.422 140.577 1.00737.35 C ATOM 14470 N7 A 0 729 96.771 40.440 139.879 1.00737.35 N ATOM 14471 C5 A 0 729 96.551 39.910 138.615 1.00737.35 C ATOM 14472 C6 A 0 729 96.084 40.481 137.420 1.00737.35 C ATOM 14473 N6 A 0 729 95.737 41.765 137.296 1.00737.35 N ATOM 14474 N1 A 0 729 95.982 39.677 136.339 1.00737.35 N ATOM 14475 C2 A 0 729 96.329 38.390 136.462 1.00737.35 C ATOM 14476 N3 A 0 729 96.784 37.738 137.530 1.00737.35 N ATOM 14477 C4 A 0 729 96.873 38.564 138.587 1.00737.35 C ATOM 14478 P C 0 730 102.392 37.390 141.502 1.00737.35 P ATOM 14479 O1P C 0 730 103.522 36.534 141.945 1.00737.35 O ATOM 14480 O2P C 0 730 102.271 38.776 142.032 1.00737.35 O ATOM 14481 O5* C 0 730 102.421 37.466 139.910 1.00737.35 O ATOM 14482 C5* C 0 730 102.384 36.279 139.119 1.00737.35 C ATOM 14483 C4* C 0 730 102.138 36.623 137.667 1.00737.35 C ATOM 14484 O4* C 0 730 100.881 37.339 137.554 1.00737.35 O ATOM 14485 C3* C 0 730 103.158 37.552 137.027 1.00737.35 C ATOM 14486 O3* C 0 730 104.282 36.818 136.543 1.00737.35 O ATOM 14487 C2* C 0 730 102.357 38.178 135.891 1.00737.35 C ATOM 14488 O2* C 0 730 102.260 37.346 134.752 1.00737.35 O ATOM 14489 C1* C 0 730 100.979 38.330 136.542 1.00737.35 C ATOM 14490 N1 C 0 730 100.760 39.658 137.152 1.00737.35 N ATOM 14491 C2 C 0 730 100.261 40.700 136.350 1.00737.35 C ATOM 14492 O2 C 0 730 100.014 40.478 135.151 1.00737.35 O ATOM 14493 N3 C 0 730 100.063 41.920 136.903 1.00737.35 N ATOM 14494 C4 C 0 730 100.342 42.122 138.191 1.00737.35 C ATOM 14495 N4 C 0 730 100.133 43.343 138.691 1.00737.35 N ATOM 14496 C5 C 0 730 100.847 41.085 139.028 1.00737.35 C ATOM 14497 C6 C 0 730 101.038 39.880 138.472 1.00737.35 C ATOM 14498 P A 0 731 105.688 37.566 136.332 1.00737.35 P ATOM 14499 O1P A 0 731 106.651 36.555 135.823 1.00737.35 O ATOM 14500 O2P A 0 731 106.011 38.328 137.567 1.00737.35 O ATOM 14501 O5* A 0 731 105.397 38.603 135.157 1.00737.35 O ATOM 14502 C5* A 0 731 106.272 39.700 134.913 1.00737.35 C ATOM 14503 C4* A 0 731 105.880 40.407 133.636 1.00737.35 C ATOM 14504 O4* A 0 731 104.482 40.794 133.711 1.00737.35 O ATOM 14505 C3* A 0 731 106.616 41.709 133.364 1.00737.35 C ATOM 14506 O3* A 0 731 107.861 41.469 132.718 1.00737.35 O ATOM 14507 C2* A 0 731 105.643 42.447 132.455 1.00737.35 C ATOM 14508 O2* A 0 731 105.713 42.027 131.107 1.00737.35 O ATOM 14509 C1* A 0 731 104.295 42.037 133.054 1.00737.35 C ATOM 14510 N9 A 0 731 103.771 43.001 134.025 1.00737.35 N ATOM 14511 C8 A 0 731 103.922 42.999 135.392 1.00737.35 C ATOM 14512 N7 A 0 731 103.332 44.004 135.989 1.00737.35 N ATOM 14513 C5 A 0 731 102.753 44.719 134.951 1.00737.35 C ATOM 14514 C6 A 0 731 101.986 45.897 134.925 1.00737.35 C ATOM 14515 N6 A 0 731 101.656 46.589 136.019 1.00737.35 N ATOM 14516 N1 A 0 731 101.563 46.346 133.724 1.00737.35 N ATOM 14517 C2 A 0 731 101.896 45.652 132.628 1.00737.35 C ATOM 14518 N3 A 0 731 102.610 44.534 132.522 1.00737.35 N ATOM 14519 C4 A 0 731 103.017 44.114 133.734 1.00737.35 C ATOM 14520 P G 0 732 109.200 42.158 133.287 1.00737.35 P ATOM 14521 O1P G 0 732 110.229 42.070 132.217 1.00737.35 O ATOM 14522 O2P G 0 732 109.485 41.584 134.626 1.00737.35 O ATOM 14523 O5* G 0 732 108.803 43.690 133.474 1.00737.35 O ATOM 14524 C5* G 0 732 108.450 44.500 132.355 1.00737.35 C ATOM 14525 C4* G 0 732 107.843 45.803 132.823 1.00737.35 C ATOM 14526 O4* G 0 732 106.602 45.531 133.528 1.00737.35 O ATOM 14527 C3* G 0 732 108.674 46.600 133.818 1.00737.35 C ATOM 14528 O3* G 0 732 109.641 47.404 133.150 1.00737.35 O ATOM 14529 C2* G 0 732 107.616 47.437 134.524 1.00737.35 C ATOM 14530 O2* G 0 732 107.232 48.583 133.792 1.00737.35 O ATOM 14531 C1* G 0 732 106.447 46.451 134.598 1.00737.35 C ATOM 14532 N9 G 0 732 106.396 45.700 135.850 1.00737.35 N ATOM 14533 C8 G 0 732 107.032 44.515 136.133 1.00737.35 C ATOM 14534 N7 G 0 732 106.798 44.084 137.345 1.00737.35 N ATOM 14535 C5 G 0 732 105.956 45.042 137.893 1.00737.35 C ATOM 14536 C6 G 0 732 105.365 45.117 139.182 1.00737.35 C ATOM 14537 O6 G 0 732 105.472 44.323 140.125 1.00737.35 O ATOM 14538 N1 G 0 732 104.580 46.255 139.319 1.00737.35 N ATOM 14539 C2 G 0 732 104.385 47.203 138.346 1.00737.35 C ATOM 14540 N2 G 0 732 103.592 48.232 138.675 1.00737.35 N ATOM 14541 N3 G 0 732 104.930 47.147 137.140 1.00737.35 N ATOM 14542 C4 G 0 732 105.697 46.046 136.984 1.00737.35 C ATOM 14543 P G 0 733 111.013 47.785 133.896 1.00737.35 P ATOM 14544 O1P G 0 733 111.846 48.538 132.925 1.00737.35 O ATOM 14545 O2P G 0 733 111.560 46.563 134.537 1.00737.35 O ATOM 14546 O5* G 0 733 110.556 48.790 135.047 1.00737.35 O ATOM 14547 C5* G 0 733 110.062 50.090 134.732 1.00737.35 C ATOM 14548 C4* G 0 733 109.628 50.809 135.988 1.00737.35 C ATOM 14549 O4* G 0 733 108.500 50.111 136.581 1.00737.35 O ATOM 14550 C3* G 0 733 110.656 50.875 137.106 1.00737.35 C ATOM 14551 O3* G 0 733 111.565 51.952 136.903 1.00737.35 O ATOM 14552 C2* G 0 733 109.779 51.088 138.335 1.00737.35 C ATOM 14553 O2* G 0 733 109.380 52.433 138.507 1.00737.35 O ATOM 14554 C1* G 0 733 108.563 50.224 137.994 1.00737.35 C ATOM 14555 N9 G 0 733 108.624 48.881 138.565 1.00737.35 N ATOM 14556 C8 G 0 733 109.187 47.760 138.004 1.00737.35 C ATOM 14557 N7 G 0 733 109.086 46.702 138.762 1.00737.35 N ATOM 14558 C5 G 0 733 108.413 47.148 139.892 1.00737.35 C ATOM 14559 C6 G 0 733 108.017 46.449 141.062 1.00737.35 C ATOM 14560 O6 G 0 733 108.188 45.255 141.345 1.00737.35 O ATOM 14561 N1 G 0 733 107.361 47.286 141.959 1.00737.35 N ATOM 14562 C2 G 0 733 107.117 48.621 141.758 1.00737.35 C ATOM 14563 N2 G 0 733 106.470 49.260 142.744 1.00737.35 N ATOM 14564 N3 G 0 733 107.481 49.285 140.673 1.00737.35 N ATOM 14565 C4 G 0 733 108.121 48.492 139.786 1.00737.35 C ATOM 14566 P G 0 734 113.034 51.892 137.557 1.00737.35 P ATOM 14567 O1P G 0 734 113.805 53.039 137.011 1.00737.35 O ATOM 14568 O2P G 0 734 113.565 50.512 137.403 1.00737.35 O ATOM 14569 O5* G 0 734 112.775 52.154 139.106 1.00737.35 O ATOM 14570 C5* G 0 734 112.326 53.427 139.566 1.00737.35 C ATOM 14571 C4* G 0 734 112.149 53.415 141.068 1.00737.35 C ATOM 14572 O4* G 0 734 111.095 52.482 141.424 1.00737.35 O ATOM 14573 C3* G 0 734 113.350 52.947 141.876 1.00737.35 C ATOM 14574 O3* G 0 734 114.279 54.006 142.080 1.00737.35 O ATOM 14575 C2* G 0 734 112.700 52.497 143.180 1.00737.35 C ATOM 14576 O2* G 0 734 112.415 53.568 144.059 1.00737.35 O ATOM 14577 C1* G 0 734 111.396 51.879 142.672 1.00737.35 C ATOM 14578 N9 G 0 734 111.473 50.431 142.489 1.00737.35 N ATOM 14579 C8 G 0 734 111.704 49.749 141.317 1.00737.35 C ATOM 14580 N7 G 0 734 111.720 48.452 141.472 1.00737.35 N ATOM 14581 C5 G 0 734 111.482 48.266 142.826 1.00737.35 C ATOM 14582 C6 G 0 734 111.384 47.069 143.588 1.00737.35 C ATOM 14583 O6 G 0 734 111.494 45.899 143.204 1.00737.35 O ATOM 14584 N1 G 0 734 111.133 47.339 144.929 1.00737.35 N ATOM 14585 C2 G 0 734 110.994 48.591 145.472 1.00737.35 C ATOM 14586 N2 G 0 734 110.754 48.643 146.790 1.00737.35 N ATOM 14587 N3 G 0 734 111.082 49.711 144.775 1.00737.35 N ATOM 14588 C4 G 0 734 111.325 49.476 143.469 1.00737.35 C ATOM 14589 P G 0 735 115.825 53.665 142.369 1.00737.35 P ATOM 14590 O1P G 0 735 116.567 54.954 142.361 1.00737.35 O ATOM 14591 O2P G 0 735 116.249 52.571 141.457 1.00737.35 O ATOM 14592 O5* G 0 735 115.822 53.099 143.859 1.00737.35 O ATOM 14593 C5* G 0 735 115.526 53.951 144.965 1.00737.35 C ATOM 14594 C4* G 0 735 115.475 53.153 146.248 1.00737.35 C ATOM 14595 O4* G 0 735 114.388 52.194 146.180 1.00737.35 O ATOM 14596 C3* G 0 735 116.699 52.305 146.559 1.00737.35 C ATOM 14597 O3* G 0 735 117.720 53.080 147.180 1.00737.35 O ATOM 14598 C2* G 0 735 116.127 51.256 147.509 1.00737.35 C ATOM 14599 O2* G 0 735 116.002 51.719 148.838 1.00737.35 O ATOM 14600 C1* G 0 735 114.737 51.025 146.906 1.00737.35 C ATOM 14601 N9 G 0 735 114.678 49.876 146.008 1.00737.35 N ATOM 14602 C8 G 0 735 114.682 49.887 144.633 1.00737.35 C ATOM 14603 N7 G 0 735 114.619 48.693 144.109 1.00737.35 N ATOM 14604 C5 G 0 735 114.569 47.841 145.203 1.00737.35 C ATOM 14605 C6 G 0 735 114.493 46.423 145.262 1.00737.35 C ATOM 14606 O6 G 0 735 114.451 45.612 144.329 1.00737.35 O ATOM 14607 N1 G 0 735 114.467 45.968 146.576 1.00737.35 N ATOM 14608 C2 G 0 735 114.506 46.767 147.691 1.00737.35 C ATOM 14609 N2 G 0 735 114.471 46.138 148.875 1.00737.35 N ATOM 14610 N3 G 0 735 114.576 48.087 147.650 1.00737.35 N ATOM 14611 C4 G 0 735 114.604 48.552 146.382 1.00737.35 C ATOM 14612 P G 0 736 119.250 52.588 147.106 1.00737.35 P ATOM 14613 O1P G 0 736 120.084 53.652 147.726 1.00737.35 O ATOM 14614 O2P G 0 736 119.541 52.148 145.718 1.00737.35 O ATOM 14615 O5* G 0 736 119.291 51.308 148.053 1.00737.35 O ATOM 14616 C5* G 0 736 119.076 51.427 149.458 1.00737.35 C ATOM 14617 C4* G 0 736 119.064 50.064 150.111 1.00737.35 C ATOM 14618 O4* G 0 736 117.945 49.293 149.601 1.00737.35 O ATOM 14619 C3* G 0 736 120.277 49.187 149.845 1.00737.35 C ATOM 14620 O3* G 0 736 121.336 49.501 150.746 1.00737.35 O ATOM 14621 C2* G 0 736 119.723 47.786 150.088 1.00737.35 C ATOM 14622 O2* G 0 736 119.682 47.435 151.458 1.00737.35 O ATOM 14623 C1* G 0 736 118.299 47.920 149.546 1.00737.35 C ATOM 14624 N9 G 0 736 118.140 47.450 148.172 1.00737.35 N ATOM 14625 C8 G 0 736 118.121 48.211 147.027 1.00737.35 C ATOM 14626 N7 G 0 736 117.958 47.505 145.942 1.00737.35 N ATOM 14627 C5 G 0 736 117.863 46.195 146.394 1.00737.35 C ATOM 14628 C6 G 0 736 117.679 44.984 145.675 1.00737.35 C ATOM 14629 O6 G 0 736 117.556 44.821 144.456 1.00737.35 O ATOM 14630 N1 G 0 736 117.643 43.886 146.527 1.00737.35 N ATOM 14631 C2 G 0 736 117.766 43.940 147.895 1.00737.35 C ATOM 14632 N2 G 0 736 117.707 42.765 148.539 1.00737.35 N ATOM 14633 N3 G 0 736 117.937 45.060 148.576 1.00737.35 N ATOM 14634 C4 G 0 736 117.976 46.143 147.768 1.00737.35 C ATOM 14635 P C 0 737 122.865 49.345 150.269 1.00737.35 P ATOM 14636 O1P C 0 737 123.725 49.785 151.399 1.00737.35 O ATOM 14637 O2P C 0 737 123.014 49.994 148.942 1.00737.35 O ATOM 14638 O5* C 0 737 123.055 47.774 150.082 1.00737.35 O ATOM 14639 C5* C 0 737 122.974 46.884 151.191 1.00737.35 C ATOM 14640 C4* C 0 737 122.790 45.461 150.713 1.00737.35 C ATOM 14641 O4* C 0 737 121.556 45.371 149.955 1.00737.35 O ATOM 14642 C3* C 0 737 123.859 44.937 149.764 1.00737.35 C ATOM 14643 O3* C 0 737 124.971 44.414 150.487 1.00737.35 O ATOM 14644 C2* C 0 737 123.112 43.844 149.009 1.00737.35 C ATOM 14645 O2* C 0 737 123.031 42.630 149.728 1.00737.35 O ATOM 14646 C1* C 0 737 121.717 44.460 148.878 1.00737.35 C ATOM 14647 N1 C 0 737 121.504 45.184 147.608 1.00737.35 N ATOM 14648 C2 C 0 737 121.073 44.463 146.480 1.00737.35 C ATOM 14649 O2 C 0 737 120.887 43.239 146.579 1.00737.35 O ATOM 14650 N3 C 0 737 120.873 45.120 145.313 1.00737.35 N ATOM 14651 C4 C 0 737 121.082 46.437 145.245 1.00737.35 C ATOM 14652 N4 C 0 737 120.867 47.043 144.075 1.00737.35 N ATOM 14653 C5 C 0 737 121.518 47.192 146.371 1.00737.35 C ATOM 14654 C6 C 0 737 121.717 46.533 147.521 1.00737.35 C ATOM 14655 P G 0 738 126.433 44.415 149.818 1.00737.35 P ATOM 14656 O1P G 0 738 127.381 43.875 150.828 1.00737.35 O ATOM 14657 O2P G 0 738 126.681 45.756 149.227 1.00737.35 O ATOM 14658 O5* G 0 738 126.322 43.360 148.628 1.00737.35 O ATOM 14659 C5* G 0 738 126.043 41.982 148.889 1.00737.35 C ATOM 14660 C4* G 0 738 125.592 41.289 147.624 1.00737.35 C ATOM 14661 O4* G 0 738 124.397 41.950 147.129 1.00737.35 O ATOM 14662 C3* G 0 738 126.569 41.340 146.457 1.00737.35 C ATOM 14663 O3* G 0 738 127.500 40.264 146.527 1.00737.35 O ATOM 14664 C2* G 0 738 125.642 41.195 145.255 1.00737.35 C ATOM 14665 O2* G 0 738 125.265 39.856 145.000 1.00737.35 O ATOM 14666 C1* G 0 738 124.423 41.996 145.712 1.00737.35 C ATOM 14667 N9 G 0 738 124.460 43.398 145.296 1.00737.35 N ATOM 14668 C8 G 0 738 125.033 44.451 145.972 1.00737.35 C ATOM 14669 N7 G 0 738 124.907 45.589 145.348 1.00737.35 N ATOM 14670 C5 G 0 738 124.207 45.274 144.191 1.00737.35 C ATOM 14671 C6 G 0 738 123.776 46.102 143.125 1.00737.35 C ATOM 14672 O6 G 0 738 123.928 47.321 142.983 1.00737.35 O ATOM 14673 N1 G 0 738 123.099 45.371 142.153 1.00737.35 N ATOM 14674 C2 G 0 738 122.867 44.020 142.200 1.00737.35 C ATOM 14675 N2 G 0 738 122.195 43.499 141.163 1.00737.35 N ATOM 14676 N3 G 0 738 123.265 43.235 143.189 1.00737.35 N ATOM 14677 C4 G 0 738 123.924 43.925 144.144 1.00737.35 C ATOM 14678 P G 0 739 129.051 40.517 146.172 1.00737.35 P ATOM 14679 O1P G 0 739 129.697 39.185 146.052 1.00737.35 O ATOM 14680 O2P G 0 739 129.593 41.510 147.133 1.00737.35 O ATOM 14681 O5* G 0 739 129.025 41.185 144.725 1.00737.35 O ATOM 14682 C5* G 0 739 128.347 40.564 143.635 1.00737.35 C ATOM 14683 C4* G 0 739 128.075 41.575 142.545 1.00737.35 C ATOM 14684 O4* G 0 739 127.324 42.683 143.109 1.00737.35 O ATOM 14685 C3* G 0 739 129.307 42.224 141.930 1.00737.35 C ATOM 14686 O3* G 0 739 129.812 41.424 140.867 1.00737.35 O ATOM 14687 C2* G 0 739 128.755 43.552 141.423 1.00737.35 C ATOM 14688 O2* G 0 739 128.089 43.439 140.180 1.00737.35 O ATOM 14689 C1* G 0 739 127.748 43.901 142.519 1.00737.35 C ATOM 14690 N9 G 0 739 128.296 44.755 143.570 1.00737.35 N ATOM 14691 C8 G 0 739 129.198 44.397 144.546 1.00737.35 C ATOM 14692 N7 G 0 739 129.503 45.381 145.348 1.00737.35 N ATOM 14693 C5 G 0 739 128.758 46.455 144.876 1.00737.35 C ATOM 14694 C6 G 0 739 128.677 47.791 145.344 1.00737.35 C ATOM 14695 O6 G 0 739 129.264 48.312 146.299 1.00737.35 O ATOM 14696 N1 G 0 739 127.800 48.548 144.574 1.00737.35 N ATOM 14697 C2 G 0 739 127.093 48.082 143.492 1.00737.35 C ATOM 14698 N2 G 0 739 126.297 48.971 142.880 1.00737.35 N ATOM 14699 N3 G 0 739 127.161 46.839 143.046 1.00737.35 N ATOM 14700 C4 G 0 739 128.009 46.085 143.780 1.00737.35 C ATOM 14701 P A 0 740 131.399 41.230 140.694 1.00737.35 P ATOM 14702 O1P A 0 740 131.869 40.386 141.822 1.00737.35 O ATOM 14703 O2P A 0 740 132.012 42.563 140.470 1.00737.35 O ATOM 14704 O5* A 0 740 131.533 40.387 139.348 1.00737.35 O ATOM 14705 C5* A 0 740 130.956 39.089 139.234 1.00737.35 C ATOM 14706 C4* A 0 740 130.091 39.005 137.997 1.00737.35 C ATOM 14707 O4* A 0 740 129.010 39.968 138.110 1.00737.35 O ATOM 14708 C3* A 0 740 130.776 39.360 136.685 1.00737.35 C ATOM 14709 O3* A 0 740 131.447 38.230 136.132 1.00737.35 O ATOM 14710 C2* A 0 740 129.607 39.801 135.816 1.00737.35 C ATOM 14711 O2* A 0 740 128.890 38.720 135.255 1.00737.35 O ATOM 14712 C1* A 0 740 128.730 40.529 136.837 1.00737.35 C ATOM 14713 N9 A 0 740 128.986 41.969 136.901 1.00737.35 N ATOM 14714 C8 A 0 740 129.902 42.632 137.682 1.00737.35 C ATOM 14715 N7 A 0 740 129.901 43.931 137.514 1.00737.35 N ATOM 14716 C5 A 0 740 128.918 44.143 136.557 1.00737.35 C ATOM 14717 C6 A 0 740 128.427 45.308 135.944 1.00737.35 C ATOM 14718 N6 A 0 740 128.882 46.535 136.218 1.00737.35 N ATOM 14719 N1 A 0 740 127.444 45.175 135.028 1.00737.35 N ATOM 14720 C2 A 0 740 126.990 43.944 134.757 1.00737.35 C ATOM 14721 N3 A 0 740 127.368 42.772 135.263 1.00737.35 N ATOM 14722 C4 A 0 740 128.347 42.942 136.170 1.00737.35 C ATOM 14723 P G 0 741 132.791 38.441 135.274 1.00737.35 P ATOM 14724 O1P G 0 741 133.136 37.129 134.663 1.00737.35 O ATOM 14725 O2P G 0 741 133.787 39.134 136.130 1.00737.35 O ATOM 14726 O5* G 0 741 132.357 39.437 134.110 1.00737.35 O ATOM 14727 C5* G 0 741 131.446 39.028 133.090 1.00737.35 C ATOM 14728 C4* G 0 741 131.057 40.208 132.230 1.00737.35 C ATOM 14729 O4* G 0 741 130.342 41.178 133.038 1.00737.35 O ATOM 14730 C3* G 0 741 132.215 40.997 131.636 1.00737.35 C ATOM 14731 O3* G 0 741 132.680 40.404 130.428 1.00737.35 O ATOM 14732 C2* G 0 741 131.582 42.360 131.389 1.00737.35 C ATOM 14733 O2* G 0 741 130.814 42.413 130.203 1.00737.35 O ATOM 14734 C1* G 0 741 130.668 42.492 132.607 1.00737.35 C ATOM 14735 N9 G 0 741 131.295 43.203 133.722 1.00737.35 N ATOM 14736 C8 G 0 741 132.026 42.660 134.751 1.00737.35 C ATOM 14737 N7 G 0 741 132.466 43.550 135.596 1.00737.35 N ATOM 14738 C5 G 0 741 131.996 44.758 135.096 1.00737.35 C ATOM 14739 C6 G 0 741 132.155 46.080 135.589 1.00737.35 C ATOM 14740 O6 G 0 741 132.762 46.461 136.597 1.00737.35 O ATOM 14741 N1 G 0 741 131.515 47.008 134.773 1.00737.35 N ATOM 14742 C2 G 0 741 130.812 46.708 133.633 1.00737.35 C ATOM 14743 N2 G 0 741 130.265 47.745 132.984 1.00737.35 N ATOM 14744 N3 G 0 741 130.657 45.481 133.164 1.00737.35 N ATOM 14745 C4 G 0 741 131.271 44.562 133.941 1.00737.35 C ATOM 14746 P G 0 742 134.232 40.011 130.281 1.00737.35 P ATOM 14747 O1P G 0 742 134.352 38.570 130.621 1.00737.35 O ATOM 14748 O2P G 0 742 135.050 41.007 131.017 1.00737.35 O ATOM 14749 O5* G 0 742 134.529 40.174 128.724 1.00737.35 O ATOM 14750 C5* G 0 742 134.499 41.456 128.102 1.00737.35 C ATOM 14751 C4* G 0 742 135.580 41.550 127.053 1.00737.35 C ATOM 14752 O4* G 0 742 135.422 40.461 126.108 1.00737.35 O ATOM 14753 C3* G 0 742 135.570 42.809 126.201 1.00737.35 C ATOM 14754 O3* G 0 742 136.293 43.852 126.856 1.00737.35 O ATOM 14755 C2* G 0 742 136.271 42.347 124.927 1.00737.35 C ATOM 14756 O2* G 0 742 137.681 42.353 125.039 1.00737.35 O ATOM 14757 C1* G 0 742 135.773 40.902 124.808 1.00737.35 C ATOM 14758 N9 G 0 742 134.635 40.662 123.922 1.00737.35 N ATOM 14759 C8 G 0 742 134.167 39.426 123.534 1.00737.35 C ATOM 14760 N7 G 0 742 133.139 39.494 122.733 1.00737.35 N ATOM 14761 C5 G 0 742 132.910 40.854 122.579 1.00737.35 C ATOM 14762 C6 G 0 742 131.922 41.535 121.822 1.00737.35 C ATOM 14763 O6 G 0 742 131.026 41.056 121.117 1.00737.35 O ATOM 14764 N1 G 0 742 132.046 42.914 121.943 1.00737.35 N ATOM 14765 C2 G 0 742 132.998 43.559 122.697 1.00737.35 C ATOM 14766 N2 G 0 742 132.951 44.898 122.687 1.00737.35 N ATOM 14767 N3 G 0 742 133.924 42.935 123.406 1.00737.35 N ATOM 14768 C4 G 0 742 133.823 41.593 123.302 1.00737.35 C ATOM 14769 P A 0 743 136.138 45.377 126.358 1.00737.35 P ATOM 14770 O1P A 0 743 136.192 45.380 124.873 1.00737.35 O ATOM 14771 O2P A 0 743 137.102 46.205 127.127 1.00737.35 O ATOM 14772 O5* A 0 743 134.664 45.796 126.795 1.00737.35 O ATOM 14773 C5* A 0 743 134.255 45.744 128.159 1.00737.35 C ATOM 14774 C4* A 0 743 133.575 47.038 128.548 1.00737.35 C ATOM 14775 O4* A 0 743 132.948 46.886 129.848 1.00737.35 O ATOM 14776 C3* A 0 743 134.488 48.244 128.709 1.00737.35 C ATOM 14777 O3* A 0 743 134.748 48.868 127.455 1.00737.35 O ATOM 14778 C2* A 0 743 133.676 49.145 129.634 1.00737.35 C ATOM 14779 O2* A 0 743 132.688 49.893 128.954 1.00737.35 O ATOM 14780 C1* A 0 743 133.006 48.119 130.552 1.00737.35 C ATOM 14781 N9 A 0 743 133.712 47.900 131.816 1.00737.35 N ATOM 14782 C8 A 0 743 134.546 46.861 132.157 1.00737.35 C ATOM 14783 N7 A 0 743 135.025 46.945 133.374 1.00737.35 N ATOM 14784 C5 A 0 743 134.474 48.117 133.871 1.00737.35 C ATOM 14785 C6 A 0 743 134.592 48.768 135.113 1.00737.35 C ATOM 14786 N6 A 0 743 135.334 48.305 136.123 1.00737.35 N ATOM 14787 N1 A 0 743 133.914 49.921 135.284 1.00737.35 N ATOM 14788 C2 A 0 743 133.170 50.383 134.272 1.00737.35 C ATOM 14789 N3 A 0 743 132.977 49.864 133.061 1.00737.35 N ATOM 14790 C4 A 0 743 133.665 48.718 132.921 1.00737.35 C ATOM 14791 P C 0 744 136.124 49.672 127.233 1.00737.35 P ATOM 14792 O1P C 0 744 136.200 50.021 125.789 1.00737.35 O ATOM 14793 O2P C 0 744 137.231 48.902 127.856 1.00737.35 O ATOM 14794 O5* C 0 744 135.931 51.018 128.064 1.00737.35 O ATOM 14795 C5* C 0 744 135.108 52.075 127.572 1.00737.35 C ATOM 14796 C4* C 0 744 135.086 53.227 128.553 1.00737.35 C ATOM 14797 O4* C 0 744 134.500 52.779 129.803 1.00737.35 O ATOM 14798 C3* C 0 744 136.443 53.789 128.954 1.00737.35 C ATOM 14799 O3* C 0 744 136.904 54.749 128.005 1.00737.35 O ATOM 14800 C2* C 0 744 136.139 54.427 130.306 1.00737.35 C ATOM 14801 O2* C 0 744 135.541 55.702 130.195 1.00737.35 O ATOM 14802 C1* C 0 744 135.135 53.432 130.891 1.00737.35 C ATOM 14803 N1 C 0 744 135.759 52.410 131.758 1.00737.35 N ATOM 14804 C2 C 0 744 135.926 52.690 133.126 1.00737.35 C ATOM 14805 O2 C 0 744 135.544 53.784 133.573 1.00737.35 O ATOM 14806 N3 C 0 744 136.503 51.761 133.922 1.00737.35 N ATOM 14807 C4 C 0 744 136.907 50.597 133.410 1.00737.35 C ATOM 14808 N4 C 0 744 137.475 49.715 134.234 1.00737.35 N ATOM 14809 C5 C 0 744 136.745 50.285 132.028 1.00737.35 C ATOM 14810 C6 C 0 744 136.173 51.209 131.248 1.00737.35 C ATOM 14811 P C 0 745 138.485 54.981 127.810 1.00737.35 P ATOM 14812 O1P C 0 745 138.654 55.829 126.602 1.00737.35 O ATOM 14813 O2P C 0 745 139.170 53.666 127.881 1.00737.35 O ATOM 14814 O5* C 0 745 138.913 55.835 129.085 1.00737.35 O ATOM 14815 C5* C 0 745 138.633 57.233 129.166 1.00737.35 C ATOM 14816 C4* C 0 745 139.164 57.804 130.464 1.00737.35 C ATOM 14817 O4* C 0 745 138.468 57.188 131.578 1.00737.35 O ATOM 14818 C3* C 0 745 140.638 57.556 130.747 1.00737.35 C ATOM 14819 O3* C 0 745 141.451 58.542 130.120 1.00737.35 O ATOM 14820 C2* C 0 745 140.698 57.660 132.267 1.00737.35 C ATOM 14821 O2* C 0 745 140.752 58.998 132.726 1.00737.35 O ATOM 14822 C1* C 0 745 139.362 57.031 132.669 1.00737.35 C ATOM 14823 N1 C 0 745 139.456 55.594 133.002 1.00737.35 N ATOM 14824 C2 C 0 745 139.862 55.219 134.295 1.00737.35 C ATOM 14825 O2 C 0 745 140.132 56.103 135.127 1.00737.35 O ATOM 14826 N3 C 0 745 139.948 53.905 134.605 1.00737.35 N ATOM 14827 C4 C 0 745 139.650 52.983 133.688 1.00737.35 C ATOM 14828 N4 C 0 745 139.749 51.699 134.040 1.00737.35 N ATOM 14829 C5 C 0 745 139.239 53.333 132.369 1.00737.35 C ATOM 14830 C6 C 0 745 139.159 54.636 132.072 1.00737.35 C ATOM 14831 P G 0 746 142.886 58.128 129.515 1.00737.35 P ATOM 14832 O1P G 0 746 143.554 59.382 129.079 1.00737.35 O ATOM 14833 O2P G 0 746 142.681 57.031 128.540 1.00737.35 O ATOM 14834 O5* G 0 746 143.684 57.542 130.767 1.00737.35 O ATOM 14835 C5* G 0 746 144.193 58.405 131.783 1.00737.35 C ATOM 14836 C4* G 0 746 144.806 57.592 132.901 1.00737.35 C ATOM 14837 O4* G 0 746 143.774 56.790 133.535 1.00737.35 O ATOM 14838 C3* G 0 746 145.871 56.586 132.489 1.00737.35 C ATOM 14839 O3* G 0 746 147.151 57.207 132.389 1.00737.35 O ATOM 14840 C2* G 0 746 145.810 55.569 133.622 1.00737.35 C ATOM 14841 O2* G 0 746 146.520 55.979 134.775 1.00737.35 O ATOM 14842 C1* G 0 746 144.310 55.532 133.920 1.00737.35 C ATOM 14843 N9 G 0 746 143.598 54.486 133.190 1.00737.35 N ATOM 14844 C8 G 0 746 142.823 54.639 132.063 1.00737.35 C ATOM 14845 N7 G 0 746 142.311 53.517 131.638 1.00737.35 N ATOM 14846 C5 G 0 746 142.775 52.564 132.534 1.00737.35 C ATOM 14847 C6 G 0 746 142.550 51.163 132.583 1.00737.35 C ATOM 14848 O6 G 0 746 141.874 50.464 131.818 1.00737.35 O ATOM 14849 N1 G 0 746 143.209 50.577 133.657 1.00737.35 N ATOM 14850 C2 G 0 746 143.985 51.249 134.570 1.00737.35 C ATOM 14851 N2 G 0 746 144.536 50.506 135.539 1.00737.35 N ATOM 14852 N3 G 0 746 144.201 52.553 134.536 1.00737.35 N ATOM 14853 C4 G 0 746 143.571 53.144 133.498 1.00737.35 C ATOM 14854 P A 0 747 148.356 56.445 131.641 1.00737.35 P ATOM 14855 O1P A 0 747 149.224 57.489 131.039 1.00737.35 O ATOM 14856 O2P A 0 747 147.792 55.375 130.777 1.00737.35 O ATOM 14857 O5* A 0 747 149.164 55.749 132.825 1.00737.35 O ATOM 14858 C5* A 0 747 149.893 56.530 133.772 1.00737.35 C ATOM 14859 C4* A 0 747 150.584 55.636 134.778 1.00737.35 C ATOM 14860 O4* A 0 747 149.589 54.910 135.544 1.00737.35 O ATOM 14861 C3* A 0 747 151.480 54.549 134.202 1.00737.35 C ATOM 14862 O3* A 0 747 152.776 55.057 133.901 1.00737.35 O ATOM 14863 C2* A 0 747 151.517 53.531 135.334 1.00737.35 C ATOM 14864 O2* A 0 747 152.441 53.865 136.353 1.00737.35 O ATOM 14865 C1* A 0 747 150.089 53.625 135.879 1.00737.35 C ATOM 14866 N9 A 0 747 149.186 52.615 135.327 1.00737.35 N ATOM 14867 C8 A 0 747 148.402 52.699 134.200 1.00737.35 C ATOM 14868 N7 A 0 747 147.699 51.617 133.963 1.00737.35 N ATOM 14869 C5 A 0 747 148.041 50.764 135.004 1.00737.35 C ATOM 14870 C6 A 0 747 147.636 49.456 135.325 1.00737.35 C ATOM 14871 N6 A 0 747 146.762 48.752 134.602 1.00737.35 N ATOM 14872 N1 A 0 747 148.165 48.889 136.429 1.00737.35 N ATOM 14873 C2 A 0 747 149.043 49.592 137.156 1.00737.35 C ATOM 14874 N3 A 0 747 149.503 50.828 136.957 1.00737.35 N ATOM 14875 C4 A 0 747 148.955 51.364 135.851 1.00737.35 C ATOM 14876 P A 0 748 153.668 54.350 132.766 1.00737.35 P ATOM 14877 O1P A 0 748 154.908 55.151 132.614 1.00737.35 O ATOM 14878 O2P A 0 748 152.808 54.100 131.578 1.00737.35 O ATOM 14879 O5* A 0 748 154.053 52.940 133.402 1.00737.35 O ATOM 14880 C5* A 0 748 155.010 52.847 134.457 1.00737.35 C ATOM 14881 C4* A 0 748 155.179 51.408 134.889 1.00737.35 C ATOM 14882 O4* A 0 748 153.938 50.927 135.465 1.00737.35 O ATOM 14883 C3* A 0 748 155.489 50.415 133.779 1.00737.35 C ATOM 14884 O3* A 0 748 156.885 50.383 133.495 1.00737.35 O ATOM 14885 C2* A 0 748 155.006 49.100 134.381 1.00737.35 C ATOM 14886 O2* A 0 748 155.941 48.515 135.267 1.00737.35 O ATOM 14887 C1* A 0 748 153.767 49.553 135.158 1.00737.35 C ATOM 14888 N9 A 0 748 152.517 49.393 134.414 1.00737.35 N ATOM 14889 C8 A 0 748 151.852 50.330 133.661 1.00737.35 C ATOM 14890 N7 A 0 748 150.750 49.881 133.110 1.00737.35 N ATOM 14891 C5 A 0 748 150.682 48.560 133.527 1.00737.35 C ATOM 14892 C6 A 0 748 149.749 47.537 133.283 1.00737.35 C ATOM 14893 N6 A 0 748 148.660 47.694 132.528 1.00737.35 N ATOM 14894 N1 A 0 748 149.976 46.332 133.850 1.00737.35 N ATOM 14895 C2 A 0 748 151.068 46.175 134.607 1.00737.35 C ATOM 14896 N3 A 0 748 152.018 47.058 134.908 1.00737.35 N ATOM 14897 C4 A 0 748 151.763 48.245 134.330 1.00737.35 C ATOM 14898 P C 0 749 157.385 50.361 131.968 1.00737.35 P ATOM 14899 O1P C 0 749 158.848 50.100 131.986 1.00737.35 O ATOM 14900 O2P C 0 749 156.869 51.577 131.289 1.00737.35 O ATOM 14901 O5* C 0 749 156.659 49.092 131.335 1.00737.35 O ATOM 14902 C5* C 0 749 156.960 47.772 131.785 1.00737.35 C ATOM 14903 C4* C 0 749 155.920 46.798 131.284 1.00737.35 C ATOM 14904 O4* C 0 749 154.627 47.146 131.849 1.00737.35 O ATOM 14905 C3* C 0 749 155.685 46.794 129.781 1.00737.35 C ATOM 14906 O3* C 0 749 156.630 45.961 129.117 1.00737.35 O ATOM 14907 C2* C 0 749 154.264 46.249 129.675 1.00737.35 C ATOM 14908 O2* C 0 749 154.198 44.842 129.783 1.00737.35 O ATOM 14909 C1* C 0 749 153.604 46.896 130.896 1.00737.35 C ATOM 14910 N1 C 0 749 152.920 48.170 130.592 1.00737.35 N ATOM 14911 C2 C 0 749 151.572 48.142 130.195 1.00737.35 C ATOM 14912 O2 C 0 749 150.987 47.048 130.106 1.00737.35 O ATOM 14913 N3 C 0 749 150.942 49.305 129.915 1.00737.35 N ATOM 14914 C4 C 0 749 151.600 50.463 130.017 1.00737.35 C ATOM 14915 N4 C 0 749 150.936 51.585 129.731 1.00737.35 N ATOM 14916 C5 C 0 749 152.967 50.521 130.415 1.00737.35 C ATOM 14917 C6 C 0 749 153.581 49.364 130.692 1.00737.35 C ATOM 14918 P C 0 750 156.982 46.228 127.570 1.00737.35 P ATOM 14919 O1P C 0 750 158.033 45.254 127.180 1.00737.35 O ATOM 14920 O2P C 0 750 157.227 47.683 127.388 1.00737.35 O ATOM 14921 O5* C 0 750 155.637 45.852 126.801 1.00737.35 O ATOM 14922 C5* C 0 750 155.184 44.501 126.739 1.00737.35 C ATOM 14923 C4* C 0 750 153.861 44.423 126.008 1.00737.35 C ATOM 14924 O4* C 0 750 152.841 45.113 126.778 1.00737.35 O ATOM 14925 C3* C 0 750 153.824 45.094 124.647 1.00737.35 C ATOM 14926 O3* C 0 750 154.330 44.229 123.634 1.00737.35 O ATOM 14927 C2* C 0 750 152.337 45.382 124.468 1.00737.35 C ATOM 14928 O2* C 0 750 151.600 44.256 124.031 1.00737.35 O ATOM 14929 C1* C 0 750 151.926 45.748 125.897 1.00737.35 C ATOM 14930 N1 C 0 750 151.940 47.202 126.162 1.00737.35 N ATOM 14931 C2 C 0 750 150.803 47.963 125.840 1.00737.35 C ATOM 14932 O2 C 0 750 149.815 47.398 125.340 1.00737.35 O ATOM 14933 N3 C 0 750 150.812 49.293 126.083 1.00737.35 N ATOM 14934 C4 C 0 750 151.892 49.871 126.617 1.00737.35 C ATOM 14935 N4 C 0 750 151.853 51.187 126.835 1.00737.35 N ATOM 14936 C5 C 0 750 153.058 49.122 126.952 1.00737.35 C ATOM 14937 C6 C 0 750 153.039 47.806 126.710 1.00737.35 C ATOM 14938 P G 0 751 155.063 44.854 122.347 1.00737.35 P ATOM 14939 O1P G 0 751 155.471 43.723 121.476 1.00737.35 O ATOM 14940 O2P G 0 751 156.087 45.826 122.809 1.00737.35 O ATOM 14941 O5* G 0 751 153.906 45.662 121.610 1.00737.35 O ATOM 14942 C5* G 0 751 152.780 44.986 121.055 1.00737.35 C ATOM 14943 C4* G 0 751 151.737 45.983 120.610 1.00737.35 C ATOM 14944 O4* G 0 751 151.195 46.678 121.766 1.00737.35 O ATOM 14945 C3* G 0 751 152.241 47.102 119.713 1.00737.35 C ATOM 14946 O3* G 0 751 152.333 46.693 118.353 1.00737.35 O ATOM 14947 C2* G 0 751 151.186 48.180 119.927 1.00737.35 C ATOM 14948 O2* G 0 751 150.008 47.966 119.176 1.00737.35 O ATOM 14949 C1* G 0 751 150.895 48.021 121.418 1.00737.35 C ATOM 14950 N9 G 0 751 151.699 48.913 122.256 1.00737.35 N ATOM 14951 C8 G 0 751 152.759 48.569 123.062 1.00737.35 C ATOM 14952 N7 G 0 751 153.280 49.588 123.688 1.00737.35 N ATOM 14953 C5 G 0 751 152.520 50.673 123.271 1.00737.35 C ATOM 14954 C6 G 0 751 152.617 52.048 123.612 1.00737.35 C ATOM 14955 O6 G 0 751 153.417 52.597 124.379 1.00737.35 O ATOM 14956 N1 G 0 751 151.649 52.805 122.960 1.00737.35 N ATOM 14957 C2 G 0 751 150.711 52.308 122.092 1.00737.35 C ATOM 14958 N2 G 0 751 149.863 53.202 121.561 1.00737.35 N ATOM 14959 N3 G 0 751 150.610 51.030 121.766 1.00737.35 N ATOM 14960 C4 G 0 751 151.539 50.276 122.388 1.00737.35 C ATOM 14961 P G 0 752 153.186 47.578 117.319 1.00737.35 P ATOM 14962 O1P G 0 752 153.028 46.971 115.975 1.00737.35 O ATOM 14963 O2P G 0 752 154.548 47.773 117.880 1.00737.35 O ATOM 14964 O5* G 0 752 152.429 48.979 117.332 1.00737.35 O ATOM 14965 C5* G 0 752 153.052 50.156 116.830 1.00737.35 C ATOM 14966 C4* G 0 752 152.950 51.269 117.844 1.00737.35 C ATOM 14967 O4* G 0 752 153.639 50.876 119.060 1.00737.35 O ATOM 14968 C3* G 0 752 153.616 52.568 117.431 1.00737.35 C ATOM 14969 O3* G 0 752 152.710 53.343 116.646 1.00737.35 O ATOM 14970 C2* G 0 752 153.930 53.221 118.774 1.00737.35 C ATOM 14971 O2* G 0 752 152.820 53.894 119.336 1.00737.35 O ATOM 14972 C1* G 0 752 154.280 52.002 119.635 1.00737.35 C ATOM 14973 N9 G 0 752 155.709 51.711 119.742 1.00737.35 N ATOM 14974 C8 G 0 752 156.540 51.259 118.742 1.00737.35 C ATOM 14975 N7 G 0 752 157.768 51.072 119.141 1.00737.35 N ATOM 14976 C5 G 0 752 157.751 51.422 120.485 1.00737.35 C ATOM 14977 C6 G 0 752 158.792 51.418 121.450 1.00737.35 C ATOM 14978 O6 G 0 752 159.978 51.090 121.306 1.00737.35 O ATOM 14979 N1 G 0 752 158.340 51.850 122.692 1.00737.35 N ATOM 14980 C2 G 0 752 157.053 52.235 122.974 1.00737.35 C ATOM 14981 N2 G 0 752 156.818 52.622 124.234 1.00737.35 N ATOM 14982 N3 G 0 752 156.072 52.241 122.087 1.00737.35 N ATOM 14983 C4 G 0 752 156.488 51.826 120.872 1.00737.35 C ATOM 14984 P U 0 753 152.940 53.478 115.060 1.00737.35 P ATOM 14985 O1P U 0 753 153.222 52.117 114.533 1.00737.35 O ATOM 14986 O2P U 0 753 153.925 54.568 114.833 1.00737.35 O ATOM 14987 O5* U 0 753 151.523 53.950 114.501 1.00737.35 O ATOM 14988 C5* U 0 753 150.885 53.255 113.425 1.00737.35 C ATOM 14989 C4* U 0 753 149.641 53.991 112.978 1.00737.35 C ATOM 14990 O4* U 0 753 148.646 53.962 114.034 1.00737.35 O ATOM 14991 C3* U 0 753 149.834 55.466 112.666 1.00737.35 C ATOM 14992 O3* U 0 753 150.280 55.649 111.324 1.00737.35 O ATOM 14993 C2* U 0 753 148.438 56.038 112.889 1.00737.35 C ATOM 14994 O2* U 0 753 147.574 55.855 111.784 1.00737.35 O ATOM 14995 C1* U 0 753 147.957 55.205 114.079 1.00737.35 C ATOM 14996 N1 U 0 753 148.222 55.833 115.382 1.00737.35 N ATOM 14997 C2 U 0 753 147.302 56.757 115.865 1.00737.35 C ATOM 14998 O2 U 0 753 146.293 57.078 115.254 1.00737.35 O ATOM 14999 N3 U 0 753 147.611 57.293 117.091 1.00737.35 N ATOM 15000 C4 U 0 753 148.716 57.011 117.870 1.00737.35 C ATOM 15001 O4 U 0 753 148.838 57.557 118.966 1.00737.35 O ATOM 15002 C5 U 0 753 149.619 56.059 117.303 1.00737.35 C ATOM 15003 C6 U 0 753 149.350 55.516 116.111 1.00737.35 C ATOM 15004 P G 0 754 151.438 56.717 111.011 1.00737.35 P ATOM 15005 O1P G 0 754 151.521 56.871 109.536 1.00737.35 O ATOM 15006 O2P G 0 754 152.650 56.322 111.775 1.00737.35 O ATOM 15007 O5* G 0 754 150.880 58.075 111.628 1.00737.35 O ATOM 15008 C5* G 0 754 149.630 58.618 111.201 1.00737.35 C ATOM 15009 C4* G 0 754 149.363 59.925 111.909 1.00737.35 C ATOM 15010 O4* G 0 754 149.162 59.681 113.326 1.00737.35 O ATOM 15011 C3* G 0 754 150.504 60.927 111.848 1.00737.35 C ATOM 15012 O3* G 0 754 150.447 61.674 110.636 1.00737.35 O ATOM 15013 C2* G 0 754 150.256 61.780 113.085 1.00737.35 C ATOM 15014 O2* G 0 754 149.264 62.767 112.889 1.00737.35 O ATOM 15015 C1* G 0 754 149.753 60.730 114.081 1.00737.35 C ATOM 15016 N9 G 0 754 150.802 60.153 114.921 1.00737.35 N ATOM 15017 C8 G 0 754 151.492 58.985 114.696 1.00737.35 C ATOM 15018 N7 G 0 754 152.366 58.718 115.630 1.00737.35 N ATOM 15019 C5 G 0 754 152.248 59.775 116.525 1.00737.35 C ATOM 15020 C6 G 0 754 152.941 60.033 117.736 1.00737.35 C ATOM 15021 O6 G 0 754 153.824 59.355 118.279 1.00737.35 O ATOM 15022 N1 G 0 754 152.515 61.216 118.325 1.00737.35 N ATOM 15023 C2 G 0 754 151.547 62.047 117.820 1.00737.35 C ATOM 15024 N2 G 0 754 151.279 63.148 118.540 1.00737.35 N ATOM 15025 N3 G 0 754 150.890 61.818 116.692 1.00737.35 N ATOM 15026 C4 G 0 754 151.288 60.672 116.101 1.00737.35 C ATOM 15027 P C 0 755 151.806 62.122 109.910 1.00737.35 P ATOM 15028 O1P C 0 755 151.444 62.620 108.559 1.00737.35 O ATOM 15029 O2P C 0 755 152.803 61.028 110.046 1.00737.35 O ATOM 15030 O5* C 0 755 152.306 63.359 110.781 1.00737.35 O ATOM 15031 C5* C 0 755 151.592 64.591 110.776 1.00737.35 C ATOM 15032 C4* C 0 755 152.197 65.553 111.773 1.00737.35 C ATOM 15033 O4* C 0 755 151.980 65.054 113.120 1.00737.35 O ATOM 15034 C3* C 0 755 153.702 65.728 111.676 1.00737.35 C ATOM 15035 O3* C 0 755 154.045 66.677 110.673 1.00737.35 O ATOM 15036 C2* C 0 755 154.061 66.205 113.078 1.00737.35 C ATOM 15037 O2* C 0 755 153.816 67.583 113.278 1.00737.35 O ATOM 15038 C1* C 0 755 153.100 65.374 113.932 1.00737.35 C ATOM 15039 N1 C 0 755 153.695 64.118 114.436 1.00737.35 N ATOM 15040 C2 C 0 755 154.372 64.133 115.666 1.00737.35 C ATOM 15041 O2 C 0 755 154.450 65.196 116.303 1.00737.35 O ATOM 15042 N3 C 0 755 154.926 62.986 116.128 1.00737.35 N ATOM 15043 C4 C 0 755 154.822 61.860 115.417 1.00737.35 C ATOM 15044 N4 C 0 755 155.385 60.758 115.911 1.00737.35 N ATOM 15045 C5 C 0 755 154.139 61.818 114.168 1.00737.35 C ATOM 15046 C6 C 0 755 153.595 62.957 113.719 1.00737.35 C ATOM 15047 P C 0 756 155.421 66.510 109.857 1.00737.35 P ATOM 15048 O1P C 0 756 155.452 67.572 108.817 1.00737.35 O ATOM 15049 O2P C 0 756 155.564 65.087 109.454 1.00737.35 O ATOM 15050 O5* C 0 756 156.546 66.836 110.939 1.00737.35 O ATOM 15051 C5* C 0 756 156.695 68.156 111.463 1.00737.35 C ATOM 15052 C4* C 0 756 157.751 68.178 112.543 1.00737.35 C ATOM 15053 O4* C 0 756 157.303 67.393 113.679 1.00737.35 O ATOM 15054 C3* C 0 756 159.093 67.567 112.174 1.00737.35 C ATOM 15055 O3* C 0 756 159.907 68.493 111.461 1.00737.35 O ATOM 15056 C2* C 0 756 159.671 67.222 113.542 1.00737.35 C ATOM 15057 O2* C 0 756 160.243 68.337 114.199 1.00737.35 O ATOM 15058 C1* C 0 756 158.419 66.762 114.293 1.00737.35 C ATOM 15059 N1 C 0 756 158.222 65.298 114.255 1.00737.35 N ATOM 15060 C2 C 0 756 158.875 64.497 115.209 1.00737.35 C ATOM 15061 O2 C 0 756 159.599 65.037 116.065 1.00737.35 O ATOM 15062 N3 C 0 756 158.703 63.156 115.173 1.00737.35 N ATOM 15063 C4 C 0 756 157.921 62.606 114.241 1.00737.35 C ATOM 15064 N4 C 0 756 157.784 61.279 114.242 1.00737.35 N ATOM 15065 C5 C 0 756 157.243 63.395 113.263 1.00737.35 C ATOM 15066 C6 C 0 756 157.420 64.721 113.306 1.00737.35 C ATOM 15067 P U 0 757 161.072 67.950 110.494 1.00737.35 P ATOM 15068 O1P U 0 757 161.664 69.128 109.812 1.00737.35 O ATOM 15069 O2P U 0 757 160.530 66.829 109.684 1.00737.35 O ATOM 15070 O5* U 0 757 162.156 67.358 111.500 1.00737.35 O ATOM 15071 C5* U 0 757 162.823 68.206 112.432 1.00737.35 C ATOM 15072 C4* U 0 757 163.588 67.383 113.445 1.00737.35 C ATOM 15073 O4* U 0 757 162.662 66.571 114.216 1.00737.35 O ATOM 15074 C3* U 0 757 164.576 66.374 112.884 1.00737.35 C ATOM 15075 O3* U 0 757 165.812 66.994 112.543 1.00737.35 O ATOM 15076 C2* U 0 757 164.725 65.401 114.047 1.00737.35 C ATOM 15077 O2* U 0 757 165.600 65.870 115.056 1.00737.35 O ATOM 15078 C1* U 0 757 163.295 65.354 114.590 1.00737.35 C ATOM 15079 N1 U 0 757 162.512 64.224 114.061 1.00737.35 N ATOM 15080 C2 U 0 757 162.626 63.001 114.712 1.00737.35 C ATOM 15081 O2 U 0 757 163.333 62.831 115.694 1.00737.35 O ATOM 15082 N3 U 0 757 161.882 61.984 114.168 1.00737.35 N ATOM 15083 C4 U 0 757 161.053 62.058 113.067 1.00737.35 C ATOM 15084 O4 U 0 757 160.447 61.049 112.696 1.00737.35 O ATOM 15085 C5 U 0 757 160.985 63.348 112.453 1.00737.35 C ATOM 15086 C6 U 0 757 161.697 64.362 112.958 1.00737.35 C ATOM 15087 P G 0 758 166.738 66.349 111.397 1.00737.35 P ATOM 15088 O1P G 0 758 167.932 67.221 111.251 1.00737.35 O ATOM 15089 O2P G 0 758 165.892 66.059 110.210 1.00737.35 O ATOM 15090 O5* G 0 758 167.213 64.960 112.019 1.00737.35 O ATOM 15091 C5* G 0 758 167.857 64.916 113.291 1.00737.35 C ATOM 15092 C4* G 0 758 168.152 63.490 113.687 1.00737.35 C ATOM 15093 O4* G 0 758 166.914 62.735 113.761 1.00737.35 O ATOM 15094 C3* G 0 758 168.992 62.684 112.712 1.00737.35 C ATOM 15095 O3* G 0 758 170.379 62.968 112.861 1.00737.35 O ATOM 15096 C2* G 0 758 168.663 61.254 113.123 1.00737.35 C ATOM 15097 O2* G 0 758 169.384 60.818 114.259 1.00737.35 O ATOM 15098 C1* G 0 758 167.176 61.371 113.472 1.00737.35 C ATOM 15099 N9 G 0 758 166.297 60.933 112.389 1.00737.35 N ATOM 15100 C8 G 0 758 166.102 61.534 111.168 1.00737.35 C ATOM 15101 N7 G 0 758 165.276 60.877 110.399 1.00737.35 N ATOM 15102 C5 G 0 758 164.894 59.780 111.161 1.00737.35 C ATOM 15103 C6 G 0 758 164.013 58.704 110.855 1.00737.35 C ATOM 15104 O6 G 0 758 163.383 58.488 109.809 1.00737.35 O ATOM 15105 N1 G 0 758 163.909 57.815 111.922 1.00737.35 N ATOM 15106 C2 G 0 758 164.566 57.939 113.121 1.00737.35 C ATOM 15107 N2 G 0 758 164.331 56.982 114.030 1.00737.35 N ATOM 15108 N3 G 0 758 165.389 58.929 113.414 1.00737.35 N ATOM 15109 C4 G 0 758 165.506 59.806 112.396 1.00737.35 C ATOM 15110 P C 0 759 171.234 63.453 111.588 1.00737.35 P ATOM 15111 O1P C 0 759 172.670 63.280 111.920 1.00737.35 O ATOM 15112 O2P C 0 759 170.735 64.791 111.179 1.00737.35 O ATOM 15113 O5* C 0 759 170.859 62.412 110.441 1.00737.35 O ATOM 15114 C5* C 0 759 170.965 61.006 110.660 1.00737.35 C ATOM 15115 C4* C 0 759 170.278 60.249 109.548 1.00737.35 C ATOM 15116 O4* C 0 759 168.871 60.600 109.525 1.00737.35 O ATOM 15117 C3* C 0 759 170.772 60.566 108.144 1.00737.35 C ATOM 15118 O3* C 0 759 171.916 59.775 107.832 1.00737.35 O ATOM 15119 C2* C 0 759 169.567 60.197 107.286 1.00737.35 C ATOM 15120 O2* C 0 759 169.473 58.811 107.027 1.00737.35 O ATOM 15121 C1* C 0 759 168.408 60.636 108.184 1.00737.35 C ATOM 15122 N1 C 0 759 167.909 61.998 107.892 1.00737.35 N ATOM 15123 C2 C 0 759 166.893 62.160 106.935 1.00737.35 C ATOM 15124 O2 C 0 759 166.440 61.159 106.357 1.00737.35 O ATOM 15125 N3 C 0 759 166.431 63.403 106.669 1.00737.35 N ATOM 15126 C4 C 0 759 166.941 64.458 107.308 1.00737.35 C ATOM 15127 N4 C 0 759 166.453 65.666 107.010 1.00737.35 N ATOM 15128 C5 C 0 759 167.973 64.324 108.281 1.00737.35 C ATOM 15129 C6 C 0 759 168.423 63.090 108.539 1.00737.35 C ATOM 15130 P U 0 760 173.173 60.447 107.084 1.00737.35 P ATOM 15131 O1P U 0 760 173.066 61.923 107.217 1.00737.35 O ATOM 15132 O2P U 0 760 173.281 59.840 105.733 1.00737.35 O ATOM 15133 O5* U 0 760 174.430 59.973 107.941 1.00737.35 O ATOM 15134 C5* U 0 760 174.640 58.596 108.249 1.00737.35 C ATOM 15135 C4* U 0 760 176.119 58.283 108.266 1.00737.35 C ATOM 15136 O4* U 0 760 176.664 58.527 106.943 1.00737.35 O ATOM 15137 C3* U 0 760 176.964 59.141 109.198 1.00737.35 C ATOM 15138 O3* U 0 760 176.991 58.593 110.515 1.00737.35 O ATOM 15139 C2* U 0 760 178.338 59.075 108.540 1.00737.35 C ATOM 15140 O2* U 0 760 179.050 57.896 108.853 1.00737.35 O ATOM 15141 C1* U 0 760 177.967 59.079 107.054 1.00737.35 C ATOM 15142 N1 U 0 760 177.967 60.418 106.442 1.00737.35 N ATOM 15143 C2 U 0 760 179.177 60.921 105.981 1.00737.35 C ATOM 15144 O2 U 0 760 180.231 60.310 106.066 1.00737.35 O ATOM 15145 N3 U 0 760 179.105 62.171 105.419 1.00737.35 N ATOM 15146 C4 U 0 760 177.979 62.953 105.269 1.00737.35 C ATOM 15147 O4 U 0 760 178.078 64.056 104.729 1.00737.35 O ATOM 15148 C5 U 0 760 176.774 62.369 105.769 1.00737.35 C ATOM 15149 C6 U 0 760 176.809 61.154 106.324 1.00737.35 C ATOM 15150 P G 0 761 177.251 59.560 111.777 1.00737.35 P ATOM 15151 O1P G 0 761 177.922 60.794 111.286 1.00737.35 O ATOM 15152 O2P G 0 761 177.901 58.750 112.840 1.00737.35 O ATOM 15153 O5* G 0 761 175.786 59.941 112.280 1.00737.35 O ATOM 15154 C5* G 0 761 175.493 61.248 112.771 1.00737.35 C ATOM 15155 C4* G 0 761 174.212 61.233 113.574 1.00737.35 C ATOM 15156 O4* G 0 761 173.153 60.675 112.752 1.00737.35 O ATOM 15157 C3* G 0 761 174.217 60.361 114.822 1.00737.35 C ATOM 15158 O3* G 0 761 174.752 61.078 115.931 1.00737.35 O ATOM 15159 C2* G 0 761 172.736 60.064 115.012 1.00737.35 C ATOM 15160 O2* G 0 761 172.034 61.122 115.635 1.00737.35 O ATOM 15161 C1* G 0 761 172.264 59.922 113.562 1.00737.35 C ATOM 15162 N9 G 0 761 172.253 58.546 113.071 1.00737.35 N ATOM 15163 C8 G 0 761 173.306 57.661 113.049 1.00737.35 C ATOM 15164 N7 G 0 761 172.987 56.498 112.549 1.00737.35 N ATOM 15165 C5 G 0 761 171.646 56.620 112.219 1.00737.35 C ATOM 15166 C6 G 0 761 170.755 55.682 111.637 1.00737.35 C ATOM 15167 O6 G 0 761 170.981 54.520 111.285 1.00737.35 O ATOM 15168 N1 G 0 761 169.481 56.221 111.473 1.00737.35 N ATOM 15169 C2 G 0 761 169.114 57.493 111.823 1.00737.35 C ATOM 15170 N2 G 0 761 167.836 57.826 111.583 1.00737.35 N ATOM 15171 N3 G 0 761 169.933 58.378 112.368 1.00737.35 N ATOM 15172 C4 G 0 761 171.175 57.878 112.537 1.00737.35 C ATOM 15173 P A 0 762 175.759 60.347 116.947 1.00737.35 P ATOM 15174 O1P A 0 762 176.217 61.375 117.919 1.00737.35 O ATOM 15175 O2P A 0 762 176.762 59.588 116.157 1.00737.35 O ATOM 15176 O5* A 0 762 174.846 59.304 117.732 1.00737.35 O ATOM 15177 C5* A 0 762 175.374 58.549 118.821 1.00737.35 C ATOM 15178 C4* A 0 762 174.382 57.500 119.275 1.00737.35 C ATOM 15179 O4* A 0 762 173.191 58.146 119.794 1.00737.35 O ATOM 15180 C3* A 0 762 173.862 56.559 118.201 1.00737.35 C ATOM 15181 O3* A 0 762 174.776 55.485 117.990 1.00737.35 O ATOM 15182 C2* A 0 762 172.545 56.075 118.801 1.00737.35 C ATOM 15183 O2* A 0 762 172.705 55.017 119.724 1.00737.35 O ATOM 15184 C1* A 0 762 172.060 57.326 119.543 1.00737.35 C ATOM 15185 N9 A 0 762 171.070 58.109 118.802 1.00737.35 N ATOM 15186 C8 A 0 762 171.289 59.080 117.855 1.00737.35 C ATOM 15187 N7 A 0 762 170.189 59.604 117.371 1.00737.35 N ATOM 15188 C5 A 0 762 169.177 58.935 118.043 1.00737.35 C ATOM 15189 C6 A 0 762 167.775 59.030 117.980 1.00737.35 C ATOM 15190 N6 A 0 762 167.125 59.875 117.177 1.00737.35 N ATOM 15191 N1 A 0 762 167.054 58.218 118.783 1.00737.35 N ATOM 15192 C2 A 0 762 167.705 57.372 119.589 1.00737.35 C ATOM 15193 N3 A 0 762 169.015 57.188 119.737 1.00737.35 N ATOM 15194 C4 A 0 762 169.705 58.009 118.926 1.00737.35 C ATOM 15195 P A 0 763 174.912 54.821 116.533 1.00737.35 P ATOM 15196 O1P A 0 763 176.165 54.021 116.531 1.00737.35 O ATOM 15197 O2P A 0 763 174.717 55.879 115.505 1.00737.35 O ATOM 15198 O5* A 0 763 173.680 53.815 116.448 1.00737.35 O ATOM 15199 C5* A 0 763 173.640 52.630 117.244 1.00737.35 C ATOM 15200 C4* A 0 763 172.291 51.960 117.122 1.00737.35 C ATOM 15201 O4* A 0 763 171.270 52.861 117.628 1.00737.35 O ATOM 15202 C3* A 0 763 171.848 51.633 115.704 1.00737.35 C ATOM 15203 O3* A 0 763 172.356 50.364 115.297 1.00737.35 O ATOM 15204 C2* A 0 763 170.330 51.617 115.833 1.00737.35 C ATOM 15205 O2* A 0 763 169.829 50.402 116.356 1.00737.35 O ATOM 15206 C1* A 0 763 170.096 52.744 116.843 1.00737.35 C ATOM 15207 N9 A 0 763 169.826 54.045 116.230 1.00737.35 N ATOM 15208 C8 A 0 763 170.713 54.882 115.597 1.00737.35 C ATOM 15209 N7 A 0 763 170.168 55.990 115.151 1.00737.35 N ATOM 15210 C5 A 0 763 168.833 55.875 115.515 1.00737.35 C ATOM 15211 C6 A 0 763 167.727 56.724 115.333 1.00737.35 C ATOM 15212 N6 A 0 763 167.797 57.904 114.715 1.00737.35 N ATOM 15213 N1 A 0 763 166.536 56.313 115.816 1.00737.35 N ATOM 15214 C2 A 0 763 166.471 55.128 116.436 1.00737.35 C ATOM 15215 N3 A 0 763 167.436 54.244 116.670 1.00737.35 N ATOM 15216 C4 A 0 763 168.610 54.682 116.179 1.00737.35 C ATOM 15217 P A 0 764 173.136 50.223 113.897 1.00737.35 P ATOM 15218 O1P A 0 764 173.714 48.855 113.865 1.00737.35 O ATOM 15219 O2P A 0 764 174.030 51.398 113.728 1.00737.35 O ATOM 15220 O5* A 0 764 171.990 50.291 112.790 1.00737.35 O ATOM 15221 C5* A 0 764 171.347 51.525 112.471 1.00737.35 C ATOM 15222 C4* A 0 764 170.690 51.443 111.109 1.00737.35 C ATOM 15223 O4* A 0 764 171.703 51.207 110.096 1.00737.35 O ATOM 15224 C3* A 0 764 169.691 50.312 110.911 1.00737.35 C ATOM 15225 O3* A 0 764 168.406 50.678 111.403 1.00737.35 O ATOM 15226 C2* A 0 764 169.690 50.143 109.395 1.00737.35 C ATOM 15227 O2* A 0 764 168.868 51.084 108.731 1.00737.35 O ATOM 15228 C1* A 0 764 171.160 50.410 109.058 1.00737.35 C ATOM 15229 N9 A 0 764 172.005 49.222 108.893 1.00737.35 N ATOM 15230 C8 A 0 764 173.180 49.160 108.189 1.00737.35 C ATOM 15231 N7 A 0 764 173.740 47.974 108.190 1.00737.35 N ATOM 15232 C5 A 0 764 172.874 47.199 108.948 1.00737.35 C ATOM 15233 C6 A 0 764 172.904 45.844 109.325 1.00737.35 C ATOM 15234 N6 A 0 764 173.877 44.999 108.973 1.00737.35 N ATOM 15235 N1 A 0 764 171.888 45.382 110.084 1.00737.35 N ATOM 15236 C2 A 0 764 170.916 46.231 110.437 1.00737.35 C ATOM 15237 N3 A 0 764 170.776 47.522 110.146 1.00737.35 N ATOM 15238 C4 A 0 764 171.801 47.952 109.390 1.00737.35 C ATOM 15239 P C 0 765 167.286 49.546 111.636 1.00737.35 P ATOM 15240 O1P C 0 765 167.934 48.393 112.315 1.00737.35 O ATOM 15241 O2P C 0 765 166.571 49.332 110.353 1.00737.35 O ATOM 15242 O5* C 0 765 166.275 50.223 112.666 1.00737.35 O ATOM 15243 C5* C 0 765 166.710 50.571 113.977 1.00737.35 C ATOM 15244 C4* C 0 765 165.803 51.616 114.584 1.00737.35 C ATOM 15245 O4* C 0 765 165.830 52.819 113.777 1.00737.35 O ATOM 15246 C3* C 0 765 164.324 51.274 114.695 1.00737.35 C ATOM 15247 O3* C 0 765 164.138 50.413 115.834 1.00737.35 O ATOM 15248 C2* C 0 765 163.674 52.656 114.799 1.00737.35 C ATOM 15249 O2* C 0 765 163.656 53.174 116.107 1.00737.35 O ATOM 15250 C1* C 0 765 164.615 53.526 113.959 1.00737.35 C ATOM 15251 N1 C 0 765 164.104 53.996 112.651 1.00737.35 N ATOM 15252 C2 C 0 765 162.921 54.762 112.620 1.00737.35 C ATOM 15253 O2 C 0 765 162.301 54.966 113.680 1.00737.35 O ATOM 15254 N3 C 0 765 162.484 55.258 111.440 1.00737.35 N ATOM 15255 C4 C 0 765 163.167 55.015 110.320 1.00737.35 C ATOM 15256 N4 C 0 765 162.719 55.560 109.187 1.00737.35 N ATOM 15257 C5 C 0 765 164.347 54.212 110.315 1.00737.35 C ATOM 15258 C6 C 0 765 164.775 53.726 111.489 1.00737.35 C ATOM 15259 P A 0 766 162.787 50.484 116.721 1.00737.35 P ATOM 15260 O1P A 0 766 162.537 49.104 117.208 1.00737.35 O ATOM 15261 O2P A 0 766 161.712 51.206 115.992 1.00737.35 O ATOM 15262 O5* A 0 766 163.239 51.352 117.982 1.00737.35 O ATOM 15263 C5* A 0 766 162.302 52.109 118.749 1.00737.35 C ATOM 15264 C4* A 0 766 162.986 53.316 119.354 1.00737.35 C ATOM 15265 O4* A 0 766 163.604 54.087 118.288 1.00737.35 O ATOM 15266 C3* A 0 766 162.086 54.304 120.081 1.00737.35 C ATOM 15267 O3* A 0 766 161.921 53.932 121.447 1.00737.35 O ATOM 15268 C2* A 0 766 162.858 55.611 119.933 1.00737.35 C ATOM 15269 O2* A 0 766 163.935 55.727 120.842 1.00737.35 O ATOM 15270 C1* A 0 766 163.412 55.471 118.515 1.00737.35 C ATOM 15271 N9 A 0 766 162.516 55.983 117.474 1.00737.35 N ATOM 15272 C8 A 0 766 161.416 55.357 116.933 1.00737.35 C ATOM 15273 N7 A 0 766 160.807 56.060 116.008 1.00737.35 N ATOM 15274 C5 A 0 766 161.555 57.226 115.933 1.00737.35 C ATOM 15275 C6 A 0 766 161.428 58.378 115.135 1.00737.35 C ATOM 15276 N6 A 0 766 160.465 58.545 114.225 1.00737.35 N ATOM 15277 N1 A 0 766 162.336 59.363 115.306 1.00737.35 N ATOM 15278 C2 A 0 766 163.304 59.191 116.216 1.00737.35 C ATOM 15279 N3 A 0 766 163.528 58.157 117.024 1.00737.35 N ATOM 15280 C4 A 0 766 162.607 57.195 116.831 1.00737.35 C ATOM 15281 P G 0 767 160.753 54.603 122.326 1.00737.35 P ATOM 15282 O1P G 0 767 160.805 53.984 123.674 1.00737.35 O ATOM 15283 O2P G 0 767 159.488 54.557 121.547 1.00737.35 O ATOM 15284 O5* G 0 767 161.196 56.129 122.461 1.00737.35 O ATOM 15285 C5* G 0 767 162.371 56.492 123.187 1.00737.35 C ATOM 15286 C4* G 0 767 162.680 57.959 122.987 1.00737.35 C ATOM 15287 O4* G 0 767 162.967 58.210 121.585 1.00737.35 O ATOM 15288 C3* G 0 767 161.545 58.914 123.318 1.00737.35 C ATOM 15289 O3* G 0 767 161.520 59.205 124.712 1.00737.35 O ATOM 15290 C2* G 0 767 161.888 60.133 122.472 1.00737.35 C ATOM 15291 O2* G 0 767 162.878 60.955 123.056 1.00737.35 O ATOM 15292 C1* G 0 767 162.442 59.474 121.205 1.00737.35 C ATOM 15293 N9 G 0 767 161.431 59.257 120.170 1.00737.35 N ATOM 15294 C8 G 0 767 160.688 58.119 119.964 1.00737.35 C ATOM 15295 N7 G 0 767 159.866 58.219 118.957 1.00737.35 N ATOM 15296 C5 G 0 767 160.075 59.501 118.468 1.00737.35 C ATOM 15297 C6 G 0 767 159.464 60.180 117.382 1.00737.35 C ATOM 15298 O6 G 0 767 158.592 59.767 116.606 1.00737.35 O ATOM 15299 N1 G 0 767 159.966 61.468 117.235 1.00737.35 N ATOM 15300 C2 G 0 767 160.932 62.036 118.032 1.00737.35 C ATOM 15301 N2 G 0 767 161.278 63.297 117.730 1.00737.35 N ATOM 15302 N3 G 0 767 161.510 61.415 119.047 1.00737.35 N ATOM 15303 C4 G 0 767 161.036 60.159 119.207 1.00737.35 C ATOM 15304 P U 0 768 160.133 59.603 125.419 1.00737.35 P ATOM 15305 O1P U 0 768 160.337 59.477 126.887 1.00737.35 O ATOM 15306 O2P U 0 768 159.031 58.848 124.767 1.00737.35 O ATOM 15307 O5* U 0 768 159.957 61.146 125.064 1.00737.35 O ATOM 15308 C5* U 0 768 160.710 62.145 125.749 1.00737.35 C ATOM 15309 C4* U 0 768 160.264 63.523 125.320 1.00737.35 C ATOM 15310 O4* U 0 768 160.636 63.753 123.936 1.00737.35 O ATOM 15311 C3* U 0 768 158.764 63.766 125.346 1.00737.35 C ATOM 15312 O3* U 0 768 158.314 64.105 126.654 1.00737.35 O ATOM 15313 C2* U 0 768 158.607 64.921 124.366 1.00737.35 C ATOM 15314 O2* U 0 768 158.912 66.180 124.935 1.00737.35 O ATOM 15315 C1* U 0 768 159.654 64.563 123.307 1.00737.35 C ATOM 15316 N1 U 0 768 159.097 63.830 122.158 1.00737.35 N ATOM 15317 C2 U 0 768 158.572 64.574 121.108 1.00737.35 C ATOM 15318 O2 U 0 768 158.559 65.795 121.096 1.00737.35 O ATOM 15319 N3 U 0 768 158.061 63.830 120.072 1.00737.35 N ATOM 15320 C4 U 0 768 158.021 62.455 119.975 1.00737.35 C ATOM 15321 O4 U 0 768 157.514 61.935 118.980 1.00737.35 O ATOM 15322 C5 U 0 768 158.583 61.761 121.091 1.00737.35 C ATOM 15323 C6 U 0 768 159.089 62.451 122.118 1.00737.35 C ATOM 15324 P C 0 769 156.905 63.540 127.181 1.00737.35 P ATOM 15325 O1P C 0 769 156.662 64.138 128.520 1.00737.35 O ATOM 15326 O2P C 0 769 156.905 62.062 127.029 1.00737.35 O ATOM 15327 O5* C 0 769 155.842 64.147 126.162 1.00737.35 O ATOM 15328 C5* C 0 769 155.593 65.551 126.114 1.00737.35 C ATOM 15329 C4* C 0 769 154.589 65.875 125.030 1.00737.35 C ATOM 15330 O4* C 0 769 155.152 65.566 123.729 1.00737.35 O ATOM 15331 C3* C 0 769 153.290 65.086 125.063 1.00737.35 C ATOM 15332 O3* C 0 769 152.368 65.649 125.992 1.00737.35 O ATOM 15333 C2* C 0 769 152.798 65.221 123.627 1.00737.35 C ATOM 15334 O2* C 0 769 152.144 66.447 123.375 1.00737.35 O ATOM 15335 C1* C 0 769 154.115 65.166 122.845 1.00737.35 C ATOM 15336 N1 C 0 769 154.428 63.823 122.312 1.00737.35 N ATOM 15337 C2 C 0 769 153.902 63.451 121.061 1.00737.35 C ATOM 15338 O2 C 0 769 153.191 64.257 120.437 1.00737.35 O ATOM 15339 N3 C 0 769 154.182 62.223 120.569 1.00737.35 N ATOM 15340 C4 C 0 769 154.947 61.382 121.266 1.00737.35 C ATOM 15341 N4 C 0 769 155.197 60.180 120.736 1.00737.35 N ATOM 15342 C5 C 0 769 155.493 61.731 122.534 1.00737.35 C ATOM 15343 C6 C 0 769 155.211 62.949 123.016 1.00737.35 C ATOM 15344 P U 0 770 151.313 64.694 126.744 1.00737.35 P ATOM 15345 O1P U 0 770 150.466 65.563 127.602 1.00737.35 O ATOM 15346 O2P U 0 770 152.055 63.561 127.355 1.00737.35 O ATOM 15347 O5* U 0 770 150.407 64.118 125.566 1.00737.35 O ATOM 15348 C5* U 0 770 149.600 64.988 124.773 1.00737.35 C ATOM 15349 C4* U 0 770 149.059 64.251 123.569 1.00737.35 C ATOM 15350 O4* U 0 770 150.161 63.818 122.729 1.00737.35 O ATOM 15351 C3* U 0 770 148.288 62.973 123.863 1.00737.35 C ATOM 15352 O3* U 0 770 146.932 63.258 124.194 1.00737.35 O ATOM 15353 C2* U 0 770 148.411 62.215 122.546 1.00737.35 C ATOM 15354 O2* U 0 770 147.493 62.653 121.563 1.00737.35 O ATOM 15355 C1* U 0 770 149.837 62.576 122.121 1.00737.35 C ATOM 15356 N1 U 0 770 150.840 61.574 122.520 1.00737.35 N ATOM 15357 C2 U 0 770 151.096 60.528 121.647 1.00737.35 C ATOM 15358 O2 U 0 770 150.538 60.406 120.567 1.00737.35 O ATOM 15359 N3 U 0 770 152.037 59.626 122.083 1.00737.35 N ATOM 15360 C4 U 0 770 152.733 59.657 123.274 1.00737.35 C ATOM 15361 O4 U 0 770 153.548 58.769 123.522 1.00737.35 O ATOM 15362 C5 U 0 770 152.414 60.764 124.121 1.00737.35 C ATOM 15363 C6 U 0 770 151.503 61.662 123.729 1.00737.35 C ATOM 15364 P C 0 771 146.093 62.216 125.087 1.00737.35 P ATOM 15365 O1P C 0 771 144.763 62.826 125.340 1.00737.35 O ATOM 15366 O2P C 0 771 146.936 61.792 126.235 1.00737.35 O ATOM 15367 O5* C 0 771 145.894 60.962 124.126 1.00737.35 O ATOM 15368 C5* C 0 771 145.107 61.065 122.941 1.00737.35 C ATOM 15369 C4* C 0 771 145.184 59.784 122.142 1.00737.35 C ATOM 15370 O4* C 0 771 146.543 59.583 121.676 1.00737.35 O ATOM 15371 C3* C 0 771 144.855 58.510 122.904 1.00737.35 C ATOM 15372 O3* C 0 771 143.448 58.296 122.957 1.00737.35 O ATOM 15373 C2* C 0 771 145.571 57.448 122.077 1.00737.35 C ATOM 15374 O2* C 0 771 144.846 57.054 120.930 1.00737.35 O ATOM 15375 C1* C 0 771 146.842 58.194 121.660 1.00737.35 C ATOM 15376 N1 C 0 771 147.997 57.944 122.546 1.00737.35 N ATOM 15377 C2 C 0 771 148.782 56.795 122.333 1.00737.35 C ATOM 15378 O2 C 0 771 148.486 56.024 121.406 1.00737.35 O ATOM 15379 N3 C 0 771 149.840 56.562 123.144 1.00737.35 N ATOM 15380 C4 C 0 771 150.128 57.413 124.131 1.00737.35 C ATOM 15381 N4 C 0 771 151.182 57.138 124.902 1.00737.35 N ATOM 15382 C5 C 0 771 149.351 58.582 124.369 1.00737.35 C ATOM 15383 C6 C 0 771 148.305 58.806 123.564 1.00737.35 C ATOM 15384 P G 0 772 142.829 57.337 124.090 1.00737.35 P ATOM 15385 O1P G 0 772 141.361 57.563 124.103 1.00737.35 O ATOM 15386 O2P G 0 772 143.607 57.510 125.344 1.00737.35 O ATOM 15387 O5* G 0 772 143.102 55.868 123.534 1.00737.35 O ATOM 15388 C5* G 0 772 142.419 55.386 122.378 1.00737.35 C ATOM 15389 C4* G 0 772 142.835 53.966 122.071 1.00737.35 C ATOM 15390 O4* G 0 772 144.238 53.939 121.692 1.00737.35 O ATOM 15391 C3* G 0 772 142.742 52.981 123.225 1.00737.35 C ATOM 15392 O3* G 0 772 141.416 52.480 123.370 1.00737.35 O ATOM 15393 C2* G 0 772 143.722 51.895 122.795 1.00737.35 C ATOM 15394 O2* G 0 772 143.176 50.993 121.850 1.00737.35 O ATOM 15395 C1* G 0 772 144.826 52.725 122.137 1.00737.35 C ATOM 15396 N9 G 0 772 145.927 53.044 123.045 1.00737.35 N ATOM 15397 C8 G 0 772 146.182 54.250 123.656 1.00737.35 C ATOM 15398 N7 G 0 772 147.242 54.224 124.418 1.00737.35 N ATOM 15399 C5 G 0 772 147.718 52.925 124.304 1.00737.35 C ATOM 15400 C6 G 0 772 148.840 52.303 124.907 1.00737.35 C ATOM 15401 O6 G 0 772 149.669 52.789 125.686 1.00737.35 O ATOM 15402 N1 G 0 772 148.955 50.971 124.520 1.00737.35 N ATOM 15403 C2 G 0 772 148.098 50.319 123.665 1.00737.35 C ATOM 15404 N2 G 0 772 148.379 49.032 123.414 1.00737.35 N ATOM 15405 N3 G 0 772 147.048 50.889 123.097 1.00737.35 N ATOM 15406 C4 G 0 772 146.919 52.184 123.459 1.00737.35 C ATOM 15407 P G 0 773 140.931 51.910 124.794 1.00737.35 P ATOM 15408 O1P G 0 773 139.488 51.579 124.669 1.00737.35 O ATOM 15409 O2P G 0 773 141.377 52.844 125.859 1.00737.35 O ATOM 15410 O5* G 0 773 141.741 50.547 124.957 1.00737.35 O ATOM 15411 C5* G 0 773 141.574 49.484 124.021 1.00737.35 C ATOM 15412 C4* G 0 773 142.592 48.396 124.267 1.00737.35 C ATOM 15413 O4* G 0 773 143.929 48.934 124.091 1.00737.35 O ATOM 15414 C3* G 0 773 142.606 47.803 125.666 1.00737.35 C ATOM 15415 O3* G 0 773 141.633 46.769 125.790 1.00737.35 O ATOM 15416 C2* G 0 773 144.021 47.242 125.763 1.00737.35 C ATOM 15417 O2* G 0 773 144.162 45.979 125.140 1.00737.35 O ATOM 15418 C1* G 0 773 144.823 48.292 124.987 1.00737.35 C ATOM 15419 N9 G 0 773 145.449 49.306 125.833 1.00737.35 N ATOM 15420 C8 G 0 773 145.155 50.648 125.886 1.00737.35 C ATOM 15421 N7 G 0 773 145.895 51.304 126.736 1.00737.35 N ATOM 15422 C5 G 0 773 146.728 50.339 127.283 1.00737.35 C ATOM 15423 C6 G 0 773 147.746 50.453 128.268 1.00737.35 C ATOM 15424 O6 G 0 773 148.129 51.466 128.867 1.00737.35 O ATOM 15425 N1 G 0 773 148.341 49.223 128.532 1.00737.35 N ATOM 15426 C2 G 0 773 148.002 48.037 127.931 1.00737.35 C ATOM 15427 N2 G 0 773 148.694 46.956 128.326 1.00737.35 N ATOM 15428 N3 G 0 773 147.057 47.916 127.013 1.00737.35 N ATOM 15429 C4 G 0 773 146.466 49.098 126.740 1.00737.35 C ATOM 15430 P A 0 774 140.666 46.731 127.073 1.00737.35 P ATOM 15431 O1P A 0 774 140.119 45.354 127.176 1.00737.35 O ATOM 15432 O2P A 0 774 139.734 47.885 126.988 1.00737.35 O ATOM 15433 O5* A 0 774 141.643 46.970 128.310 1.00737.35 O ATOM 15434 C5* A 0 774 142.716 46.076 128.589 1.00737.35 C ATOM 15435 C4* A 0 774 143.748 46.752 129.462 1.00737.35 C ATOM 15436 O4* A 0 774 144.314 47.880 128.745 1.00737.35 O ATOM 15437 C3* A 0 774 143.209 47.350 130.753 1.00737.35 C ATOM 15438 O3* A 0 774 143.164 46.364 131.774 1.00737.35 O ATOM 15439 C2* A 0 774 144.224 48.446 131.051 1.00737.35 C ATOM 15440 O2* A 0 774 145.404 47.956 131.658 1.00737.35 O ATOM 15441 C1* A 0 774 144.542 48.954 129.642 1.00737.35 C ATOM 15442 N9 A 0 774 143.716 50.086 129.221 1.00737.35 N ATOM 15443 C8 A 0 774 142.447 50.060 128.693 1.00737.35 C ATOM 15444 N7 A 0 774 141.969 51.243 128.400 1.00737.35 N ATOM 15445 C5 A 0 774 142.991 52.113 128.759 1.00737.35 C ATOM 15446 C6 A 0 774 143.107 53.511 128.695 1.00737.35 C ATOM 15447 N6 A 0 774 142.151 54.312 128.224 1.00737.35 N ATOM 15448 N1 A 0 774 144.258 54.066 129.136 1.00737.35 N ATOM 15449 C2 A 0 774 145.216 53.261 129.608 1.00737.35 C ATOM 15450 N3 A 0 774 145.227 51.935 129.720 1.00737.35 N ATOM 15451 C4 A 0 774 144.069 51.413 129.273 1.00737.35 C ATOM 15452 P U 0 775 141.764 46.014 132.486 1.00737.35 P ATOM 15453 O1P U 0 775 140.717 45.966 131.433 1.00737.35 O ATOM 15454 O2P U 0 775 141.594 46.925 133.647 1.00737.35 O ATOM 15455 O5* U 0 775 141.975 44.535 133.035 1.00737.35 O ATOM 15456 C5* U 0 775 142.485 43.507 132.189 1.00737.35 C ATOM 15457 C4* U 0 775 142.075 42.146 132.703 1.00737.35 C ATOM 15458 O4* U 0 775 142.640 41.945 134.024 1.00737.35 O ATOM 15459 C3* U 0 775 140.580 41.938 132.891 1.00737.35 C ATOM 15460 O3* U 0 775 139.978 41.532 131.665 1.00737.35 O ATOM 15461 C2* U 0 775 140.535 40.838 133.943 1.00737.35 C ATOM 15462 O2* U 0 775 140.731 39.546 133.403 1.00737.35 O ATOM 15463 C1* U 0 775 141.728 41.213 134.829 1.00737.35 C ATOM 15464 N1 U 0 775 141.368 42.038 135.996 1.00737.35 N ATOM 15465 C2 U 0 775 141.088 41.387 137.186 1.00737.35 C ATOM 15466 O2 U 0 775 141.125 40.172 137.309 1.00737.35 O ATOM 15467 N3 U 0 775 140.761 42.212 138.233 1.00737.35 N ATOM 15468 C4 U 0 775 140.689 43.590 138.218 1.00737.35 C ATOM 15469 O4 U 0 775 140.394 44.196 139.250 1.00737.35 O ATOM 15470 C5 U 0 775 140.991 44.189 136.953 1.00737.35 C ATOM 15471 C6 U 0 775 141.312 43.414 135.914 1.00737.35 C ATOM 15472 P G 0 776 138.461 41.955 131.338 1.00737.35 P ATOM 15473 O1P G 0 776 138.342 43.420 131.564 1.00737.35 O ATOM 15474 O2P G 0 776 137.555 41.028 132.058 1.00737.35 O ATOM 15475 O5* G 0 776 138.320 41.692 129.773 1.00737.35 O ATOM 15476 C5* G 0 776 138.480 40.385 129.228 1.00737.35 C ATOM 15477 C4* G 0 776 139.618 40.370 128.234 1.00737.35 C ATOM 15478 O4* G 0 776 140.828 40.824 128.897 1.00737.35 O ATOM 15479 C3* G 0 776 139.976 38.999 127.678 1.00737.35 C ATOM 15480 O3* G 0 776 139.171 38.686 126.543 1.00737.35 O ATOM 15481 C2* G 0 776 141.444 39.162 127.307 1.00737.35 C ATOM 15482 O2* G 0 776 141.635 39.792 126.054 1.00737.35 O ATOM 15483 C1* G 0 776 141.938 40.083 128.427 1.00737.35 C ATOM 15484 N9 G 0 776 142.575 39.437 129.576 1.00737.35 N ATOM 15485 C8 G 0 776 143.490 40.015 130.421 1.00737.35 C ATOM 15486 N7 G 0 776 143.897 39.215 131.370 1.00737.35 N ATOM 15487 C5 G 0 776 143.209 38.030 131.139 1.00737.35 C ATOM 15488 C6 G 0 776 143.240 36.801 131.846 1.00737.35 C ATOM 15489 O6 G 0 776 143.905 36.501 132.847 1.00737.35 O ATOM 15490 N1 G 0 776 142.387 35.862 131.274 1.00737.35 N ATOM 15491 C2 G 0 776 141.605 36.077 130.168 1.00737.35 C ATOM 15492 N2 G 0 776 140.845 35.045 129.771 1.00737.35 N ATOM 15493 N3 G 0 776 141.566 37.217 129.500 1.00737.35 N ATOM 15494 C4 G 0 776 142.389 38.146 130.036 1.00737.35 C ATOM 15495 P A 0 777 138.772 37.157 126.239 1.00737.35 P ATOM 15496 O1P A 0 777 137.670 37.179 125.244 1.00737.35 O ATOM 15497 O2P A 0 777 138.575 36.453 127.535 1.00737.35 O ATOM 15498 O5* A 0 777 140.062 36.552 125.521 1.00737.35 O ATOM 15499 C5* A 0 777 140.404 35.176 125.675 1.00737.35 C ATOM 15500 C4* A 0 777 140.730 34.555 124.337 1.00737.35 C ATOM 15501 O4* A 0 777 139.564 34.623 123.475 1.00737.35 O ATOM 15502 C3* A 0 777 141.827 35.219 123.519 1.00737.35 C ATOM 15503 O3* A 0 777 143.112 34.783 123.954 1.00737.35 O ATOM 15504 C2* A 0 777 141.510 34.729 122.108 1.00737.35 C ATOM 15505 O2* A 0 777 141.986 33.421 121.858 1.00737.35 O ATOM 15506 C1* A 0 777 139.979 34.725 122.121 1.00737.35 C ATOM 15507 N9 A 0 777 139.390 35.933 121.537 1.00737.35 N ATOM 15508 C8 A 0 777 139.088 37.120 122.158 1.00737.35 C ATOM 15509 N7 A 0 777 138.578 38.024 121.357 1.00737.35 N ATOM 15510 C5 A 0 777 138.537 37.387 120.122 1.00737.35 C ATOM 15511 C6 A 0 777 138.102 37.811 118.855 1.00737.35 C ATOM 15512 N6 A 0 777 137.606 39.026 118.610 1.00737.35 N ATOM 15513 N1 A 0 777 138.195 36.933 117.832 1.00737.35 N ATOM 15514 C2 A 0 777 138.695 35.715 118.079 1.00737.35 C ATOM 15515 N3 A 0 777 139.138 35.202 119.223 1.00737.35 N ATOM 15516 C4 A 0 777 139.031 36.098 120.218 1.00737.35 C ATOM 15517 P G 0 778 144.430 35.590 123.502 1.00737.35 P ATOM 15518 O1P G 0 778 144.419 35.674 122.019 1.00737.35 O ATOM 15519 O2P G 0 778 145.596 34.982 124.192 1.00737.35 O ATOM 15520 O5* G 0 778 144.220 37.060 124.084 1.00737.35 O ATOM 15521 C5* G 0 778 144.006 37.272 125.478 1.00737.35 C ATOM 15522 C4* G 0 778 144.823 38.446 125.964 1.00737.35 C ATOM 15523 O4* G 0 778 144.530 38.666 127.369 1.00737.35 O ATOM 15524 C3* G 0 778 146.332 38.255 125.912 1.00737.35 C ATOM 15525 O3* G 0 778 146.854 38.617 124.636 1.00737.35 O ATOM 15526 C2* G 0 778 146.822 39.188 127.012 1.00737.35 C ATOM 15527 O2* G 0 778 146.901 40.539 126.610 1.00737.35 O ATOM 15528 C1* G 0 778 145.719 39.022 128.058 1.00737.35 C ATOM 15529 N9 G 0 778 145.998 37.989 129.055 1.00737.35 N ATOM 15530 C8 G 0 778 145.649 36.660 128.998 1.00737.35 C ATOM 15531 N7 G 0 778 146.029 35.986 130.050 1.00737.35 N ATOM 15532 C5 G 0 778 146.666 36.924 130.847 1.00737.35 C ATOM 15533 C6 G 0 778 147.284 36.783 132.116 1.00737.35 C ATOM 15534 O6 G 0 778 147.387 35.765 132.814 1.00737.35 O ATOM 15535 N1 G 0 778 147.814 37.990 132.564 1.00737.35 N ATOM 15536 C2 G 0 778 147.757 39.180 131.881 1.00737.35 C ATOM 15537 N2 G 0 778 148.331 40.236 132.477 1.00737.35 N ATOM 15538 N3 G 0 778 147.185 39.324 130.699 1.00737.35 N ATOM 15539 C4 G 0 778 146.664 38.165 130.244 1.00737.35 C ATOM 15540 P U 0 779 148.238 37.975 124.130 1.00737.35 P ATOM 15541 O1P U 0 779 148.477 38.469 122.747 1.00737.35 O ATOM 15542 O2P U 0 779 148.193 36.512 124.388 1.00737.35 O ATOM 15543 O5* U 0 779 149.335 38.618 125.091 1.00737.35 O ATOM 15544 C5* U 0 779 149.591 40.021 125.078 1.00737.35 C ATOM 15545 C4* U 0 779 150.506 40.398 126.223 1.00737.35 C ATOM 15546 O4* U 0 779 149.844 40.116 127.483 1.00737.35 O ATOM 15547 C3* U 0 779 151.815 39.628 126.310 1.00737.35 C ATOM 15548 O3* U 0 779 152.807 40.198 125.458 1.00737.35 O ATOM 15549 C2* U 0 779 152.180 39.776 127.782 1.00737.35 C ATOM 15550 O2* U 0 779 152.795 41.013 128.083 1.00737.35 O ATOM 15551 C1* U 0 779 150.803 39.705 128.446 1.00737.35 C ATOM 15552 N1 U 0 779 150.451 38.358 128.926 1.00737.35 N ATOM 15553 C2 U 0 779 150.864 37.995 130.201 1.00737.35 C ATOM 15554 O2 U 0 779 151.497 38.739 130.933 1.00737.35 O ATOM 15555 N3 U 0 779 150.504 36.727 130.588 1.00737.35 N ATOM 15556 C4 U 0 779 149.792 35.802 129.851 1.00737.35 C ATOM 15557 O4 U 0 779 149.545 34.698 130.338 1.00737.35 O ATOM 15558 C5 U 0 779 149.405 36.249 128.547 1.00737.35 C ATOM 15559 C6 U 0 779 149.736 37.477 128.139 1.00737.35 C ATOM 15560 P U 0 780 153.991 39.271 124.886 1.00737.35 P ATOM 15561 O1P U 0 780 154.857 40.136 124.042 1.00737.35 O ATOM 15562 O2P U 0 780 153.389 38.047 124.300 1.00737.35 O ATOM 15563 O5* U 0 780 154.819 38.854 126.183 1.00737.35 O ATOM 15564 C5* U 0 780 155.512 39.831 126.955 1.00737.35 C ATOM 15565 C4* U 0 780 156.002 39.230 128.252 1.00737.35 C ATOM 15566 O4* U 0 780 154.868 38.773 129.034 1.00737.35 O ATOM 15567 C3* U 0 780 156.888 38.001 128.128 1.00737.35 C ATOM 15568 O3* U 0 780 158.245 38.368 127.893 1.00737.35 O ATOM 15569 C2* U 0 780 156.706 37.335 129.487 1.00737.35 C ATOM 15570 O2* U 0 780 157.496 37.921 130.506 1.00737.35 O ATOM 15571 C1* U 0 780 155.225 37.607 129.761 1.00737.35 C ATOM 15572 N1 U 0 780 154.340 36.504 129.352 1.00737.35 N ATOM 15573 C2 U 0 780 154.095 35.494 130.274 1.00737.35 C ATOM 15574 O2 U 0 780 154.572 35.487 131.398 1.00737.35 O ATOM 15575 N3 U 0 780 153.269 34.493 129.828 1.00737.35 N ATOM 15576 C4 U 0 780 152.672 34.393 128.588 1.00737.35 C ATOM 15577 O4 U 0 780 151.949 33.428 128.339 1.00737.35 O ATOM 15578 C5 U 0 780 152.972 35.468 127.695 1.00737.35 C ATOM 15579 C6 U 0 780 153.772 36.462 128.093 1.00737.35 C ATOM 15580 P G 0 781 159.259 37.302 127.246 1.00737.35 P ATOM 15581 O1P G 0 781 160.495 38.039 126.878 1.00737.35 O ATOM 15582 O2P G 0 781 158.534 36.525 126.205 1.00737.35 O ATOM 15583 O5* G 0 781 159.601 36.319 128.453 1.00737.35 O ATOM 15584 C5* G 0 781 160.448 36.741 129.520 1.00737.35 C ATOM 15585 C4* G 0 781 160.677 35.608 130.497 1.00737.35 C ATOM 15586 O4* G 0 781 159.435 35.285 131.176 1.00737.35 O ATOM 15587 C3* G 0 781 161.123 34.287 129.892 1.00737.35 C ATOM 15588 O3* G 0 781 162.527 34.281 129.658 1.00737.35 O ATOM 15589 C2* G 0 781 160.711 33.289 130.967 1.00737.35 C ATOM 15590 O2* G 0 781 161.632 33.215 132.040 1.00737.35 O ATOM 15591 C1* G 0 781 159.394 33.895 131.460 1.00737.35 C ATOM 15592 N9 G 0 781 158.213 33.323 130.818 1.00737.35 N ATOM 15593 C8 G 0 781 157.581 33.775 129.682 1.00737.35 C ATOM 15594 N7 G 0 781 156.543 33.055 129.352 1.00737.35 N ATOM 15595 C5 G 0 781 156.484 32.068 130.326 1.00737.35 C ATOM 15596 C6 G 0 781 155.571 30.996 130.495 1.00737.35 C ATOM 15597 O6 G 0 781 154.597 30.694 129.792 1.00737.35 O ATOM 15598 N1 G 0 781 155.878 30.233 131.615 1.00737.35 N ATOM 15599 C2 G 0 781 156.929 30.467 132.468 1.00737.35 C ATOM 15600 N2 G 0 781 157.060 29.615 133.494 1.00737.35 N ATOM 15601 N3 G 0 781 157.789 31.463 132.322 1.00737.35 N ATOM 15602 C4 G 0 781 157.508 32.218 131.239 1.00737.35 C ATOM 15603 P U 0 782 163.143 33.318 128.527 1.00737.35 P ATOM 15604 O1P U 0 782 164.590 33.638 128.420 1.00737.35 O ATOM 15605 O2P U 0 782 162.287 33.399 127.315 1.00737.35 O ATOM 15606 O5* U 0 782 162.998 31.859 129.147 1.00737.35 O ATOM 15607 C5* U 0 782 163.672 31.509 130.352 1.00737.35 C ATOM 15608 C4* U 0 782 163.176 30.178 130.868 1.00737.35 C ATOM 15609 O4* U 0 782 161.768 30.279 131.203 1.00737.35 O ATOM 15610 C3* U 0 782 163.239 29.013 129.895 1.00737.35 C ATOM 15611 O3* U 0 782 164.544 28.443 129.863 1.00737.35 O ATOM 15612 C2* U 0 782 162.212 28.050 130.483 1.00737.35 C ATOM 15613 O2* U 0 782 162.720 27.281 131.553 1.00737.35 O ATOM 15614 C1* U 0 782 161.144 29.020 131.002 1.00737.35 C ATOM 15615 N1 U 0 782 160.003 29.192 130.085 1.00737.35 N ATOM 15616 C2 U 0 782 158.846 28.479 130.361 1.00737.35 C ATOM 15617 O2 U 0 782 158.731 27.737 131.323 1.00737.35 O ATOM 15618 N3 U 0 782 157.822 28.668 129.465 1.00737.35 N ATOM 15619 C4 U 0 782 157.829 29.481 128.351 1.00737.35 C ATOM 15620 O4 U 0 782 156.822 29.544 127.641 1.00737.35 O ATOM 15621 C5 U 0 782 159.054 30.188 128.136 1.00737.35 C ATOM 15622 C6 U 0 782 160.073 30.027 128.989 1.00737.35 C ATOM 15623 P G 0 783 165.079 27.747 128.516 1.00737.35 P ATOM 15624 O1P G 0 783 166.528 27.484 128.707 1.00737.35 O ATOM 15625 O2P G 0 783 164.627 28.556 127.352 1.00737.35 O ATOM 15626 O5* G 0 783 164.314 26.348 128.477 1.00737.35 O ATOM 15627 C5* G 0 783 164.729 25.264 129.308 1.00737.35 C ATOM 15628 C4* G 0 783 163.812 24.076 129.122 1.00737.35 C ATOM 15629 O4* G 0 783 162.479 24.416 129.578 1.00737.35 O ATOM 15630 C3* G 0 783 163.612 23.601 127.688 1.00737.35 C ATOM 15631 O3* G 0 783 164.663 22.726 127.288 1.00737.35 O ATOM 15632 C2* G 0 783 162.274 22.880 127.770 1.00737.35 C ATOM 15633 O2* G 0 783 162.384 21.564 128.275 1.00737.35 O ATOM 15634 C1* G 0 783 161.516 23.757 128.772 1.00737.35 C ATOM 15635 N9 G 0 783 160.667 24.766 128.143 1.00737.35 N ATOM 15636 C8 G 0 783 161.003 26.062 127.831 1.00737.35 C ATOM 15637 N7 G 0 783 160.030 26.727 127.274 1.00737.35 N ATOM 15638 C5 G 0 783 158.983 25.818 127.211 1.00737.35 C ATOM 15639 C6 G 0 783 157.664 25.964 126.706 1.00737.35 C ATOM 15640 O6 G 0 783 157.140 26.963 126.195 1.00737.35 O ATOM 15641 N1 G 0 783 156.933 24.790 126.840 1.00737.35 N ATOM 15642 C2 G 0 783 157.403 23.623 127.388 1.00737.35 C ATOM 15643 N2 G 0 783 156.540 22.596 127.425 1.00737.35 N ATOM 15644 N3 G 0 783 158.629 23.471 127.862 1.00737.35 N ATOM 15645 C4 G 0 783 159.360 24.600 127.743 1.00737.35 C ATOM 15646 P U 0 784 165.080 22.631 125.738 1.00737.35 P ATOM 15647 O1P U 0 784 166.206 21.667 125.645 1.00737.35 O ATOM 15648 O2P U 0 784 165.254 24.009 125.209 1.00737.35 O ATOM 15649 O5* U 0 784 163.809 21.982 125.031 1.00737.35 O ATOM 15650 C5* U 0 784 163.406 20.647 125.331 1.00737.35 C ATOM 15651 C4* U 0 784 162.020 20.380 124.787 1.00737.35 C ATOM 15652 O4* U 0 784 161.075 21.285 125.424 1.00737.35 O ATOM 15653 C3* U 0 784 161.828 20.622 123.298 1.00737.35 C ATOM 15654 O3* U 0 784 162.230 19.484 122.541 1.00737.35 O ATOM 15655 C2* U 0 784 160.327 20.872 123.205 1.00737.35 C ATOM 15656 O2* U 0 784 159.563 19.683 123.209 1.00737.35 O ATOM 15657 C1* U 0 784 160.069 21.659 124.492 1.00737.35 C ATOM 15658 N1 U 0 784 160.115 23.121 124.309 1.00737.35 N ATOM 15659 C2 U 0 784 158.936 23.764 123.960 1.00737.35 C ATOM 15660 O2 U 0 784 157.875 23.179 123.801 1.00737.35 O ATOM 15661 N3 U 0 784 159.045 25.124 123.799 1.00737.35 N ATOM 15662 C4 U 0 784 160.184 25.891 123.948 1.00737.35 C ATOM 15663 O4 U 0 784 160.121 27.108 123.769 1.00737.35 O ATOM 15664 C5 U 0 784 161.355 25.156 124.312 1.00737.35 C ATOM 15665 C6 U 0 784 161.283 23.831 124.476 1.00737.35 C ATOM 15666 P U 0 785 162.545 19.639 120.969 1.00737.35 P ATOM 15667 O1P U 0 785 163.231 18.396 120.534 1.00737.35 O ATOM 15668 O2P U 0 785 163.197 20.955 120.740 1.00737.35 O ATOM 15669 O5* U 0 785 161.103 19.675 120.290 1.00737.35 O ATOM 15670 C5* U 0 785 160.251 18.532 120.322 1.00737.35 C ATOM 15671 C4* U 0 785 158.873 18.882 119.808 1.00737.35 C ATOM 15672 O4* U 0 785 158.284 19.892 120.669 1.00737.35 O ATOM 15673 C3* U 0 785 158.814 19.493 118.417 1.00737.35 C ATOM 15674 O3* U 0 785 158.814 18.482 117.414 1.00737.35 O ATOM 15675 C2* U 0 785 157.494 20.255 118.453 1.00737.35 C ATOM 15676 O2* U 0 785 156.370 19.430 118.226 1.00737.35 O ATOM 15677 C1* U 0 785 157.477 20.769 119.896 1.00737.35 C ATOM 15678 N1 U 0 785 157.992 22.142 120.042 1.00737.35 N ATOM 15679 C2 U 0 785 157.102 23.190 119.853 1.00737.35 C ATOM 15680 O2 U 0 785 155.927 23.022 119.562 1.00737.35 O ATOM 15681 N3 U 0 785 157.640 24.442 120.010 1.00737.35 N ATOM 15682 C4 U 0 785 158.947 24.752 120.329 1.00737.35 C ATOM 15683 O4 U 0 785 159.278 25.935 120.445 1.00737.35 O ATOM 15684 C5 U 0 785 159.805 23.622 120.506 1.00737.35 C ATOM 15685 C6 U 0 785 159.312 22.388 120.359 1.00737.35 C ATOM 15686 P U 0 786 159.270 18.844 115.914 1.00737.35 P ATOM 15687 O1P U 0 786 159.320 17.569 115.151 1.00737.35 O ATOM 15688 O2P U 0 786 160.479 19.704 115.983 1.00737.35 O ATOM 15689 O5* U 0 786 158.064 19.724 115.349 1.00737.35 O ATOM 15690 C5* U 0 786 156.869 19.114 114.866 1.00737.35 C ATOM 15691 C4* U 0 786 156.044 20.116 114.089 1.00737.35 C ATOM 15692 O4* U 0 786 155.542 21.137 114.990 1.00737.35 O ATOM 15693 C3* U 0 786 156.797 20.883 113.014 1.00737.35 C ATOM 15694 O3* U 0 786 156.822 20.140 111.798 1.00737.35 O ATOM 15695 C2* U 0 786 155.970 22.158 112.880 1.00737.35 C ATOM 15696 O2* U 0 786 154.838 22.000 112.048 1.00737.35 O ATOM 15697 C1* U 0 786 155.518 22.390 114.325 1.00737.35 C ATOM 15698 N1 U 0 786 156.345 23.344 115.085 1.00737.35 N ATOM 15699 C2 U 0 786 156.174 24.702 114.835 1.00737.35 C ATOM 15700 O2 U 0 786 155.380 25.138 114.015 1.00737.35 O ATOM 15701 N3 U 0 786 156.970 25.534 115.586 1.00737.35 N ATOM 15702 C4 U 0 786 157.896 25.160 116.538 1.00737.35 C ATOM 15703 O4 U 0 786 158.538 26.027 117.133 1.00737.35 O ATOM 15704 C5 U 0 786 158.016 23.748 116.734 1.00737.35 C ATOM 15705 C6 U 0 786 157.259 22.912 116.019 1.00737.35 C ATOM 15706 P A 0 787 158.232 19.713 111.147 1.00737.35 P ATOM 15707 O1P A 0 787 157.938 19.102 109.825 1.00737.35 O ATOM 15708 O2P A 0 787 158.998 18.942 112.158 1.00737.35 O ATOM 15709 O5* A 0 787 158.987 21.094 110.891 1.00737.35 O ATOM 15710 C5* A 0 787 158.338 22.176 110.226 1.00737.35 C ATOM 15711 C4* A 0 787 159.312 23.308 109.996 1.00737.35 C ATOM 15712 O4* A 0 787 159.865 23.726 111.275 1.00737.35 O ATOM 15713 C3* A 0 787 160.532 22.975 109.153 1.00737.35 C ATOM 15714 O3* A 0 787 160.242 23.082 107.762 1.00737.35 O ATOM 15715 C2* A 0 787 161.537 24.027 109.614 1.00737.35 C ATOM 15716 O2* A 0 787 161.322 25.293 109.019 1.00737.35 O ATOM 15717 C1* A 0 787 161.225 24.096 111.110 1.00737.35 C ATOM 15718 N9 A 0 787 162.051 23.190 111.910 1.00737.35 N ATOM 15719 C8 A 0 787 161.870 21.845 112.124 1.00737.35 C ATOM 15720 N7 A 0 787 162.784 21.301 112.889 1.00737.35 N ATOM 15721 C5 A 0 787 163.627 22.358 113.202 1.00737.35 C ATOM 15722 C6 A 0 787 164.794 22.439 113.984 1.00737.35 C ATOM 15723 N6 A 0 787 165.334 21.396 114.618 1.00737.35 N ATOM 15724 N1 A 0 787 165.394 23.645 114.095 1.00737.35 N ATOM 15725 C2 A 0 787 164.853 24.690 113.456 1.00737.35 C ATOM 15726 N3 A 0 787 163.763 24.740 112.694 1.00737.35 N ATOM 15727 C4 A 0 787 163.189 23.528 112.606 1.00737.35 C ATOM 15728 P G 0 788 161.331 22.601 106.677 1.00737.35 P ATOM 15729 O1P G 0 788 160.577 22.023 105.533 1.00737.35 O ATOM 15730 O2P G 0 788 162.371 21.786 107.354 1.00737.35 O ATOM 15731 O5* G 0 788 162.006 23.962 106.193 1.00737.35 O ATOM 15732 C5* G 0 788 161.290 24.878 105.367 1.00737.35 C ATOM 15733 C4* G 0 788 162.068 26.165 105.203 1.00737.35 C ATOM 15734 O4* G 0 788 162.145 26.855 106.476 1.00737.35 O ATOM 15735 C3* G 0 788 163.512 26.010 104.760 1.00737.35 C ATOM 15736 O3* G 0 788 163.573 25.902 103.340 1.00737.35 O ATOM 15737 C2* G 0 788 164.147 27.303 105.264 1.00737.35 C ATOM 15738 O2* G 0 788 163.939 28.396 104.392 1.00737.35 O ATOM 15739 C1* G 0 788 163.381 27.543 106.569 1.00737.35 C ATOM 15740 N9 G 0 788 164.067 27.086 107.774 1.00737.35 N ATOM 15741 C8 G 0 788 164.261 25.785 108.178 1.00737.35 C ATOM 15742 N7 G 0 788 164.897 25.690 109.314 1.00737.35 N ATOM 15743 C5 G 0 788 165.144 27.007 109.682 1.00737.35 C ATOM 15744 C6 G 0 788 165.802 27.531 110.824 1.00737.35 C ATOM 15745 O6 G 0 788 166.308 26.922 111.771 1.00737.35 O ATOM 15746 N1 G 0 788 165.834 28.921 110.799 1.00737.35 N ATOM 15747 C2 G 0 788 165.302 29.708 109.808 1.00737.35 C ATOM 15748 N2 G 0 788 165.435 31.033 109.973 1.00737.35 N ATOM 15749 N3 G 0 788 164.686 29.231 108.738 1.00737.35 N ATOM 15750 C4 G 0 788 164.645 27.880 108.740 1.00737.35 C ATOM 15751 P G 0 789 164.047 24.524 102.658 1.00737.35 P ATOM 15752 O1P G 0 789 163.289 23.421 103.306 1.00737.35 O ATOM 15753 O2P G 0 789 165.531 24.493 102.663 1.00737.35 O ATOM 15754 O5* G 0 789 163.562 24.667 101.147 1.00737.35 O ATOM 15755 C5* G 0 789 162.419 23.958 100.667 1.00737.35 C ATOM 15756 C4* G 0 789 161.414 24.925 100.084 1.00737.35 C ATOM 15757 O4* G 0 789 162.067 25.764 99.092 1.00737.35 O ATOM 15758 C3* G 0 789 160.243 24.300 99.339 1.00737.35 C ATOM 15759 O3* G 0 789 159.202 23.924 100.240 1.00737.35 O ATOM 15760 C2* G 0 789 159.811 25.433 98.414 1.00737.35 C ATOM 15761 O2* G 0 789 159.008 26.394 99.063 1.00737.35 O ATOM 15762 C1* G 0 789 161.162 26.051 98.038 1.00737.35 C ATOM 15763 N9 G 0 789 161.731 25.549 96.786 1.00737.35 N ATOM 15764 C8 G 0 789 163.025 25.141 96.571 1.00737.35 C ATOM 15765 N7 G 0 789 163.244 24.750 95.344 1.00737.35 N ATOM 15766 C5 G 0 789 162.019 24.907 94.709 1.00737.35 C ATOM 15767 C6 G 0 789 161.642 24.645 93.366 1.00737.35 C ATOM 15768 O6 G 0 789 162.337 24.213 92.439 1.00737.35 O ATOM 15769 N1 G 0 789 160.302 24.941 93.146 1.00737.35 N ATOM 15770 C2 G 0 789 159.435 25.428 94.093 1.00737.35 C ATOM 15771 N2 G 0 789 158.178 25.650 93.683 1.00737.35 N ATOM 15772 N3 G 0 789 159.774 25.678 95.344 1.00737.35 N ATOM 15773 C4 G 0 789 161.072 25.397 95.584 1.00737.35 C ATOM 15774 P A 0 790 157.947 23.076 99.698 1.00737.35 P ATOM 15775 O1P A 0 790 158.474 21.819 99.104 1.00737.35 O ATOM 15776 O2P A 0 790 157.101 23.975 98.872 1.00737.35 O ATOM 15777 O5* A 0 790 157.134 22.712 101.020 1.00737.35 O ATOM 15778 C5* A 0 790 157.523 21.613 101.839 1.00737.35 C ATOM 15779 C4* A 0 790 157.693 22.063 103.274 1.00737.35 C ATOM 15780 O4* A 0 790 158.709 23.097 103.325 1.00737.35 O ATOM 15781 C3* A 0 790 156.479 22.702 103.928 1.00737.35 C ATOM 15782 O3* A 0 790 155.595 21.713 104.450 1.00737.35 O ATOM 15783 C2* A 0 790 157.117 23.531 105.038 1.00737.35 C ATOM 15784 O2* A 0 790 157.468 22.763 106.171 1.00737.35 O ATOM 15785 C1* A 0 790 158.391 24.024 104.350 1.00737.35 C ATOM 15786 N9 A 0 790 158.267 25.361 103.760 1.00737.35 N ATOM 15787 C8 A 0 790 157.942 25.695 102.466 1.00737.35 C ATOM 15788 N7 A 0 790 157.920 26.988 102.245 1.00737.35 N ATOM 15789 C5 A 0 790 158.252 27.542 103.475 1.00737.35 C ATOM 15790 C6 A 0 790 158.398 28.874 103.906 1.00737.35 C ATOM 15791 N6 A 0 790 158.231 29.936 103.113 1.00737.35 N ATOM 15792 N1 A 0 790 158.732 29.079 105.199 1.00737.35 N ATOM 15793 C2 A 0 790 158.908 28.017 105.993 1.00737.35 C ATOM 15794 N3 A 0 790 158.798 26.724 105.705 1.00737.35 N ATOM 15795 C4 A 0 790 158.465 26.550 104.416 1.00737.35 C ATOM 15796 P G 0 791 154.093 22.120 104.865 1.00737.35 P ATOM 15797 O1P G 0 791 153.364 20.861 105.167 1.00737.35 O ATOM 15798 O2P G 0 791 153.553 23.050 103.841 1.00737.35 O ATOM 15799 O5* G 0 791 154.275 22.929 106.227 1.00737.35 O ATOM 15800 C5* G 0 791 154.822 22.301 107.385 1.00737.35 C ATOM 15801 C4* G 0 791 155.113 23.324 108.458 1.00737.35 C ATOM 15802 O4* G 0 791 156.089 24.281 107.967 1.00737.35 O ATOM 15803 C3* G 0 791 153.938 24.182 108.895 1.00737.35 C ATOM 15804 O3* G 0 791 153.157 23.504 109.877 1.00737.35 O ATOM 15805 C2* G 0 791 154.631 25.413 109.470 1.00737.35 C ATOM 15806 O2* G 0 791 155.102 25.221 110.789 1.00737.35 O ATOM 15807 C1* G 0 791 155.822 25.562 108.518 1.00737.35 C ATOM 15808 N9 G 0 791 155.588 26.501 107.422 1.00737.35 N ATOM 15809 C8 G 0 791 155.105 26.209 106.167 1.00737.35 C ATOM 15810 N7 G 0 791 155.005 27.260 105.399 1.00737.35 N ATOM 15811 C5 G 0 791 155.446 28.311 106.192 1.00737.35 C ATOM 15812 C6 G 0 791 155.566 29.695 105.900 1.00737.35 C ATOM 15813 O6 G 0 791 155.299 30.290 104.849 1.00737.35 O ATOM 15814 N1 G 0 791 156.055 30.407 106.991 1.00737.35 N ATOM 15815 C2 G 0 791 156.388 29.862 108.205 1.00737.35 C ATOM 15816 N2 G 0 791 156.842 30.722 109.132 1.00737.35 N ATOM 15817 N3 G 0 791 156.284 28.573 108.491 1.00737.35 N ATOM 15818 C4 G 0 791 155.810 27.860 107.445 1.00737.35 C ATOM 15819 P U 0 792 151.619 23.915 110.100 1.00737.35 P ATOM 15820 O1P U 0 792 151.038 22.943 111.061 1.00737.35 O ATOM 15821 O2P U 0 792 150.978 24.102 108.773 1.00737.35 O ATOM 15822 O5* U 0 792 151.703 25.335 110.817 1.00737.35 O ATOM 15823 C5* U 0 792 152.310 25.473 112.101 1.00737.35 C ATOM 15824 C4* U 0 792 152.552 26.932 112.414 1.00737.35 C ATOM 15825 O4* U 0 792 153.481 27.481 111.440 1.00737.35 O ATOM 15826 C3* U 0 792 151.335 27.837 112.323 1.00737.35 C ATOM 15827 O3* U 0 792 150.585 27.806 113.533 1.00737.35 O ATOM 15828 C2* U 0 792 151.965 29.200 112.070 1.00737.35 C ATOM 15829 O2* U 0 792 152.453 29.813 113.248 1.00737.35 O ATOM 15830 C1* U 0 792 153.135 28.828 111.155 1.00737.35 C ATOM 15831 N1 U 0 792 152.814 28.942 109.721 1.00737.35 N ATOM 15832 C2 U 0 792 153.027 30.165 109.104 1.00737.35 C ATOM 15833 O2 U 0 792 153.466 31.143 109.690 1.00737.35 O ATOM 15834 N3 U 0 792 152.706 30.204 107.768 1.00737.35 N ATOM 15835 C4 U 0 792 152.206 29.173 107.002 1.00737.35 C ATOM 15836 O4 U 0 792 151.967 29.366 105.808 1.00737.35 O ATOM 15837 C5 U 0 792 152.014 27.943 107.708 1.00737.35 C ATOM 15838 C6 U 0 792 152.316 27.871 109.007 1.00737.35 C ATOM 15839 P G 0 793 148.990 28.014 113.488 1.00737.35 P ATOM 15840 O1P G 0 793 148.495 27.976 114.889 1.00737.35 O ATOM 15841 O2P G 0 793 148.421 27.079 112.486 1.00737.35 O ATOM 15842 O5* G 0 793 148.816 29.501 112.938 1.00737.35 O ATOM 15843 C5* G 0 793 149.377 30.611 113.633 1.00737.35 C ATOM 15844 C4* G 0 793 149.316 31.852 112.775 1.00737.35 C ATOM 15845 O4* G 0 793 150.118 31.653 111.583 1.00737.35 O ATOM 15846 C3* G 0 793 147.938 32.215 112.248 1.00737.35 C ATOM 15847 O3* G 0 793 147.214 32.965 113.218 1.00737.35 O ATOM 15848 C2* G 0 793 148.271 33.039 111.009 1.00737.35 C ATOM 15849 O2* G 0 793 148.608 34.379 111.307 1.00737.35 O ATOM 15850 C1* G 0 793 149.506 32.302 110.480 1.00737.35 C ATOM 15851 N9 G 0 793 149.197 31.297 109.466 1.00737.35 N ATOM 15852 C8 G 0 793 148.816 29.991 109.677 1.00737.35 C ATOM 15853 N7 G 0 793 148.610 29.330 108.570 1.00737.35 N ATOM 15854 C5 G 0 793 148.868 30.253 107.566 1.00737.35 C ATOM 15855 C6 G 0 793 148.811 30.115 106.154 1.00737.35 C ATOM 15856 O6 G 0 793 148.512 29.117 105.488 1.00737.35 O ATOM 15857 N1 G 0 793 149.149 31.301 105.511 1.00737.35 N ATOM 15858 C2 G 0 793 149.497 32.470 106.140 1.00737.35 C ATOM 15859 N2 G 0 793 149.791 33.506 105.341 1.00737.35 N ATOM 15860 N3 G 0 793 149.556 32.612 107.453 1.00737.35 N ATOM 15861 C4 G 0 793 149.232 31.472 108.101 1.00737.35 C ATOM 15862 P A 0 794 145.618 32.803 113.326 1.00737.35 P ATOM 15863 O1P A 0 794 145.185 33.518 114.552 1.00737.35 O ATOM 15864 O2P A 0 794 145.271 31.368 113.153 1.00737.35 O ATOM 15865 O5* A 0 794 145.061 33.606 112.065 1.00737.35 O ATOM 15866 C5* A 0 794 145.510 34.930 111.790 1.00737.35 C ATOM 15867 C4* A 0 794 144.341 35.885 111.768 1.00737.35 C ATOM 15868 O4* A 0 794 143.603 35.768 113.012 1.00737.35 O ATOM 15869 C3* A 0 794 144.717 37.356 111.681 1.00737.35 C ATOM 15870 O3* A 0 794 144.909 37.741 110.323 1.00737.35 O ATOM 15871 C2* A 0 794 143.511 38.040 112.312 1.00737.35 C ATOM 15872 O2* A 0 794 142.427 38.186 111.417 1.00737.35 O ATOM 15873 C1* A 0 794 143.136 37.044 113.415 1.00737.35 C ATOM 15874 N9 A 0 794 143.722 37.352 114.721 1.00737.35 N ATOM 15875 C8 A 0 794 145.043 37.281 115.094 1.00737.35 C ATOM 15876 N7 A 0 794 145.259 37.615 116.344 1.00737.35 N ATOM 15877 C5 A 0 794 143.996 37.930 116.826 1.00737.35 C ATOM 15878 C6 A 0 794 143.546 38.358 118.088 1.00737.35 C ATOM 15879 N6 A 0 794 144.350 38.549 119.135 1.00737.35 N ATOM 15880 N1 A 0 794 142.222 38.584 118.239 1.00737.35 N ATOM 15881 C2 A 0 794 141.415 38.393 117.187 1.00737.35 C ATOM 15882 N3 A 0 794 141.719 37.993 115.954 1.00737.35 N ATOM 15883 C4 A 0 794 143.040 37.776 115.838 1.00737.35 C ATOM 15884 P A 0 795 146.141 38.696 109.926 1.00737.35 P ATOM 15885 O1P A 0 795 147.197 38.553 110.964 1.00737.35 O ATOM 15886 O2P A 0 795 145.599 40.044 109.613 1.00737.35 O ATOM 15887 O5* A 0 795 146.701 38.058 108.577 1.00737.35 O ATOM 15888 C5* A 0 795 145.844 37.838 107.459 1.00737.35 C ATOM 15889 C4* A 0 795 146.373 36.703 106.613 1.00737.35 C ATOM 15890 O4* A 0 795 146.484 35.509 107.430 1.00737.35 O ATOM 15891 C3* A 0 795 145.484 36.285 105.451 1.00737.35 C ATOM 15892 O3* A 0 795 145.740 37.092 104.308 1.00737.35 O ATOM 15893 C2* A 0 795 145.922 34.845 105.214 1.00737.35 C ATOM 15894 O2* A 0 795 147.102 34.743 104.439 1.00737.35 O ATOM 15895 C1* A 0 795 146.204 34.365 106.640 1.00737.35 C ATOM 15896 N9 A 0 795 145.089 33.639 107.253 1.00737.35 N ATOM 15897 C8 A 0 795 143.974 34.150 107.870 1.00737.35 C ATOM 15898 N7 A 0 795 143.153 33.234 108.325 1.00737.35 N ATOM 15899 C5 A 0 795 143.768 32.038 107.983 1.00737.35 C ATOM 15900 C6 A 0 795 143.402 30.694 108.186 1.00737.35 C ATOM 15901 N6 A 0 795 142.285 30.315 108.810 1.00737.35 N ATOM 15902 N1 A 0 795 144.237 29.739 107.722 1.00737.35 N ATOM 15903 C2 A 0 795 145.359 30.120 107.099 1.00737.35 C ATOM 15904 N3 A 0 795 145.814 31.345 106.847 1.00737.35 N ATOM 15905 C4 A 0 795 144.959 32.271 107.322 1.00737.35 C ATOM 15906 P A 0 796 144.812 38.368 103.994 1.00737.35 P ATOM 15907 O1P A 0 796 143.702 38.400 104.985 1.00737.35 O ATOM 15908 O2P A 0 796 144.495 38.358 102.543 1.00737.35 O ATOM 15909 O5* A 0 796 145.769 39.603 104.301 1.00737.35 O ATOM 15910 C5* A 0 796 145.759 40.773 103.487 1.00737.35 C ATOM 15911 C4* A 0 796 147.174 41.243 103.232 1.00737.35 C ATOM 15912 O4* A 0 796 147.810 41.540 104.505 1.00737.35 O ATOM 15913 C3* A 0 796 148.087 40.214 102.580 1.00737.35 C ATOM 15914 O3* A 0 796 147.960 40.243 101.161 1.00737.35 O ATOM 15915 C2* A 0 796 149.467 40.668 103.043 1.00737.35 C ATOM 15916 O2* A 0 796 149.983 41.745 102.286 1.00737.35 O ATOM 15917 C1* A 0 796 149.167 41.130 104.470 1.00737.35 C ATOM 15918 N9 A 0 796 149.354 40.088 105.482 1.00737.35 N ATOM 15919 C8 A 0 796 148.694 38.886 105.581 1.00737.35 C ATOM 15920 N7 A 0 796 149.075 38.156 106.600 1.00737.35 N ATOM 15921 C5 A 0 796 150.052 38.924 107.215 1.00737.35 C ATOM 15922 C6 A 0 796 150.845 38.707 108.355 1.00737.35 C ATOM 15923 N6 A 0 796 150.775 37.609 109.109 1.00737.35 N ATOM 15924 N1 A 0 796 151.725 39.672 108.700 1.00737.35 N ATOM 15925 C2 A 0 796 151.796 40.774 107.945 1.00737.35 C ATOM 15926 N3 A 0 796 151.102 41.094 106.853 1.00737.35 N ATOM 15927 C4 A 0 796 150.238 40.115 106.535 1.00737.35 C ATOM 15928 P A 0 797 147.793 38.866 100.346 1.00737.35 P ATOM 15929 O1P A 0 797 147.799 39.206 98.901 1.00737.35 O ATOM 15930 O2P A 0 797 146.646 38.116 100.916 1.00737.35 O ATOM 15931 O5* A 0 797 149.126 38.056 100.673 1.00737.35 O ATOM 15932 C5* A 0 797 150.394 38.518 100.219 1.00737.35 C ATOM 15933 C4* A 0 797 151.505 37.711 100.850 1.00737.35 C ATOM 15934 O4* A 0 797 151.325 36.308 100.532 1.00737.35 O ATOM 15935 C3* A 0 797 152.898 38.038 100.345 1.00737.35 C ATOM 15936 O3* A 0 797 153.434 39.138 101.072 1.00737.35 O ATOM 15937 C2* A 0 797 153.666 36.753 100.638 1.00737.35 C ATOM 15938 O2* A 0 797 154.129 36.667 101.972 1.00737.35 O ATOM 15939 C1* A 0 797 152.592 35.685 100.401 1.00737.35 C ATOM 15940 N9 A 0 797 152.666 35.045 99.086 1.00737.35 N ATOM 15941 C8 A 0 797 152.037 35.415 97.921 1.00737.35 C ATOM 15942 N7 A 0 797 152.304 34.631 96.905 1.00737.35 N ATOM 15943 C5 A 0 797 153.168 33.680 97.434 1.00737.35 C ATOM 15944 C6 A 0 797 153.814 32.568 96.866 1.00737.35 C ATOM 15945 N6 A 0 797 153.684 32.210 95.586 1.00737.35 N ATOM 15946 N1 A 0 797 154.610 31.828 97.666 1.00737.35 N ATOM 15947 C2 A 0 797 154.739 32.186 98.949 1.00737.35 C ATOM 15948 N3 A 0 797 154.186 33.207 99.598 1.00737.35 N ATOM 15949 C4 A 0 797 153.402 33.924 98.775 1.00737.35 C ATOM 15950 P G 0 798 153.760 40.521 100.315 1.00737.35 P ATOM 15951 O1P G 0 798 152.463 41.162 99.979 1.00737.35 O ATOM 15952 O2P G 0 798 154.749 40.258 99.241 1.00737.35 O ATOM 15953 O5* G 0 798 154.474 41.399 101.433 1.00737.35 O ATOM 15954 C5* G 0 798 155.539 40.859 102.209 1.00737.35 C ATOM 15955 C4* G 0 798 155.327 41.158 103.672 1.00737.35 C ATOM 15956 O4* G 0 798 153.982 40.770 104.059 1.00737.35 O ATOM 15957 C3* G 0 798 156.230 40.383 104.617 1.00737.35 C ATOM 15958 O3* G 0 798 157.494 41.021 104.774 1.00737.35 O ATOM 15959 C2* G 0 798 155.424 40.389 105.910 1.00737.35 C ATOM 15960 O2* G 0 798 155.551 41.595 106.635 1.00737.35 O ATOM 15961 C1* G 0 798 153.995 40.244 105.378 1.00737.35 C ATOM 15962 N9 G 0 798 153.514 38.864 105.332 1.00737.35 N ATOM 15963 C8 G 0 798 152.942 38.219 104.261 1.00737.35 C ATOM 15964 N7 G 0 798 152.607 36.984 104.522 1.00737.35 N ATOM 15965 C5 G 0 798 152.979 36.798 105.845 1.00737.35 C ATOM 15966 C6 G 0 798 152.867 35.657 106.681 1.00737.35 C ATOM 15967 O6 G 0 798 152.400 34.546 106.407 1.00737.35 O ATOM 15968 N1 G 0 798 153.371 35.901 107.953 1.00737.35 N ATOM 15969 C2 G 0 798 153.913 37.090 108.372 1.00737.35 C ATOM 15970 N2 G 0 798 154.344 37.131 109.642 1.00737.35 N ATOM 15971 N3 G 0 798 154.025 38.163 107.605 1.00737.35 N ATOM 15972 C4 G 0 798 153.542 37.948 106.362 1.00737.35 C ATOM 15973 P C 0 799 158.821 40.127 104.934 1.00737.35 P ATOM 15974 O1P C 0 799 159.915 41.036 105.365 1.00737.35 O ATOM 15975 O2P C 0 799 158.987 39.313 103.706 1.00737.35 O ATOM 15976 O5* C 0 799 158.481 39.147 106.145 1.00737.35 O ATOM 15977 C5* C 0 799 158.205 39.659 107.447 1.00737.35 C ATOM 15978 C4* C 0 799 158.152 38.533 108.455 1.00737.35 C ATOM 15979 O4* C 0 799 157.021 37.667 108.176 1.00737.35 O ATOM 15980 C3* C 0 799 159.345 37.592 108.452 1.00737.35 C ATOM 15981 O3* C 0 799 160.422 38.140 109.206 1.00737.35 O ATOM 15982 C2* C 0 799 158.768 36.337 109.099 1.00737.35 C ATOM 15983 O2* C 0 799 158.735 36.406 110.510 1.00737.35 O ATOM 15984 C1* C 0 799 157.337 36.336 108.549 1.00737.35 C ATOM 15985 N1 C 0 799 157.142 35.446 107.387 1.00737.35 N ATOM 15986 C2 C 0 799 156.920 34.072 107.608 1.00737.35 C ATOM 15987 O2 C 0 799 156.904 33.638 108.773 1.00737.35 O ATOM 15988 N3 C 0 799 156.731 33.257 106.546 1.00737.35 N ATOM 15989 C4 C 0 799 156.758 33.753 105.307 1.00737.35 C ATOM 15990 N4 C 0 799 156.563 32.907 104.292 1.00737.35 N ATOM 15991 C5 C 0 799 156.984 35.138 105.053 1.00737.35 C ATOM 15992 C6 C 0 799 157.168 35.939 106.109 1.00737.35 C ATOM 15993 P U 0 800 161.932 37.710 108.866 1.00737.35 P ATOM 15994 O1P U 0 800 162.821 38.447 109.798 1.00737.35 O ATOM 15995 O2P U 0 800 162.140 37.834 107.399 1.00737.35 O ATOM 15996 O5* U 0 800 161.978 36.165 109.246 1.00737.35 O ATOM 15997 C5* U 0 800 161.775 35.739 110.593 1.00737.35 C ATOM 15998 C4* U 0 800 161.799 34.230 110.678 1.00737.35 C ATOM 15999 O4* U 0 800 160.645 33.679 109.993 1.00737.35 O ATOM 16000 C3* U 0 800 162.983 33.557 110.011 1.00737.35 C ATOM 16001 O3* U 0 800 164.110 33.570 110.879 1.00737.35 O ATOM 16002 C2* U 0 800 162.459 32.147 109.764 1.00737.35 C ATOM 16003 O2* U 0 800 162.541 31.318 110.908 1.00737.35 O ATOM 16004 C1* U 0 800 160.988 32.420 109.434 1.00737.35 C ATOM 16005 N1 U 0 800 160.681 32.436 107.992 1.00737.35 N ATOM 16006 C2 U 0 800 160.527 31.214 107.353 1.00737.35 C ATOM 16007 O2 U 0 800 160.645 30.142 107.924 1.00737.35 O ATOM 16008 N3 U 0 800 160.233 31.296 106.014 1.00737.35 N ATOM 16009 C4 U 0 800 160.078 32.441 105.262 1.00737.35 C ATOM 16010 O4 U 0 800 159.788 32.343 104.067 1.00737.35 O ATOM 16011 C5 U 0 800 160.257 33.660 105.988 1.00737.35 C ATOM 16012 C6 U 0 800 160.545 33.619 107.295 1.00737.35 C ATOM 16013 P A 0 801 165.407 34.438 110.489 1.00737.35 P ATOM 16014 O1P A 0 801 164.934 35.687 109.837 1.00737.35 O ATOM 16015 O2P A 0 801 166.364 33.556 109.774 1.00737.35 O ATOM 16016 O5* A 0 801 166.045 34.811 111.901 1.00737.35 O ATOM 16017 C5* A 0 801 166.054 36.158 112.372 1.00737.35 C ATOM 16018 C4* A 0 801 167.450 36.550 112.791 1.00737.35 C ATOM 16019 O4* A 0 801 167.834 35.794 113.966 1.00737.35 O ATOM 16020 C3* A 0 801 168.529 36.278 111.754 1.00737.35 C ATOM 16021 O3* A 0 801 168.499 37.343 110.789 1.00737.35 O ATOM 16022 C2* A 0 801 169.777 36.064 112.611 1.00737.35 C ATOM 16023 O2* A 0 801 170.426 37.246 113.031 1.00737.35 O ATOM 16024 C1* A 0 801 169.183 35.378 113.847 1.00737.35 C ATOM 16025 N9 A 0 801 169.190 33.914 113.850 1.00737.35 N ATOM 16026 C8 A 0 801 168.830 33.048 112.844 1.00737.35 C ATOM 16027 N7 A 0 801 168.906 31.784 113.186 1.00737.35 N ATOM 16028 C5 A 0 801 169.355 31.818 114.498 1.00737.35 C ATOM 16029 C6 A 0 801 169.629 30.800 115.430 1.00737.35 C ATOM 16030 N6 A 0 801 169.479 29.499 115.174 1.00737.35 N ATOM 16031 N1 A 0 801 170.066 31.173 116.653 1.00737.35 N ATOM 16032 C2 A 0 801 170.209 32.477 116.912 1.00737.35 C ATOM 16033 N3 A 0 801 169.978 33.525 116.123 1.00737.35 N ATOM 16034 C4 A 0 801 169.549 33.121 114.916 1.00737.35 C ATOM 16035 P A 0 802 169.835 38.149 110.389 1.00737.35 P ATOM 16036 O1P A 0 802 170.864 37.185 109.929 1.00737.35 O ATOM 16037 O2P A 0 802 170.146 39.085 111.502 1.00737.35 O ATOM 16038 O5* A 0 802 169.378 39.041 109.150 1.00737.35 O ATOM 16039 C5* A 0 802 168.012 39.442 109.001 1.00737.35 C ATOM 16040 C4* A 0 802 167.865 40.927 109.254 1.00737.35 C ATOM 16041 O4* A 0 802 168.387 41.233 110.572 1.00737.35 O ATOM 16042 C3* A 0 802 168.636 41.840 108.315 1.00737.35 C ATOM 16043 O3* A 0 802 167.863 42.107 107.149 1.00737.35 O ATOM 16044 C2* A 0 802 168.812 43.101 109.156 1.00737.35 C ATOM 16045 O2* A 0 802 167.673 43.939 109.144 1.00737.35 O ATOM 16046 C1* A 0 802 168.996 42.512 110.558 1.00737.35 C ATOM 16047 N9 A 0 802 170.394 42.363 110.966 1.00737.35 N ATOM 16048 C8 A 0 802 171.350 41.528 110.440 1.00737.35 C ATOM 16049 N7 A 0 802 172.516 41.621 111.028 1.00737.35 N ATOM 16050 C5 A 0 802 172.319 42.584 112.008 1.00737.35 C ATOM 16051 C6 A 0 802 173.175 43.138 112.975 1.00737.35 C ATOM 16052 N6 A 0 802 174.455 42.784 113.121 1.00737.35 N ATOM 16053 N1 A 0 802 172.667 44.080 113.800 1.00737.35 N ATOM 16054 C2 A 0 802 171.383 44.430 113.654 1.00737.35 C ATOM 16055 N3 A 0 802 170.479 43.982 112.786 1.00737.35 N ATOM 16056 C4 A 0 802 171.018 43.050 111.981 1.00737.35 C ATOM 16057 P C 0 803 168.316 41.502 105.728 1.00737.35 P ATOM 16058 O1P C 0 803 168.183 40.025 105.812 1.00737.35 O ATOM 16059 O2P C 0 803 169.624 42.101 105.362 1.00737.35 O ATOM 16060 O5* C 0 803 167.218 42.037 104.702 1.00737.35 O ATOM 16061 C5* C 0 803 165.909 42.404 105.139 1.00737.35 C ATOM 16062 C4* C 0 803 165.004 42.645 103.951 1.00737.35 C ATOM 16063 O4* C 0 803 165.582 43.683 103.115 1.00737.35 O ATOM 16064 C3* C 0 803 164.818 41.463 103.011 1.00737.35 C ATOM 16065 O3* C 0 803 163.771 40.612 103.473 1.00737.35 O ATOM 16066 C2* C 0 803 164.435 42.148 101.703 1.00737.35 C ATOM 16067 O2* C 0 803 163.070 42.512 101.643 1.00737.35 O ATOM 16068 C1* C 0 803 165.303 43.407 101.751 1.00737.35 C ATOM 16069 N1 C 0 803 166.581 43.276 101.020 1.00737.35 N ATOM 16070 C2 C 0 803 166.617 43.593 99.652 1.00737.35 C ATOM 16071 O2 C 0 803 165.578 43.980 99.093 1.00737.35 O ATOM 16072 N3 C 0 803 167.784 43.470 98.979 1.00737.35 N ATOM 16073 C4 C 0 803 168.882 43.055 99.612 1.00737.35 C ATOM 16074 N4 C 0 803 170.009 42.949 98.903 1.00737.35 N ATOM 16075 C5 C 0 803 168.874 42.725 100.998 1.00737.35 C ATOM 16076 C6 C 0 803 167.715 42.850 101.658 1.00737.35 C ATOM 16077 P C 0 804 164.036 39.034 103.646 1.00737.35 P ATOM 16078 O1P C 0 804 163.566 38.668 105.006 1.00737.35 O ATOM 16079 O2P C 0 804 165.436 38.723 103.248 1.00737.35 O ATOM 16080 O5* C 0 804 163.051 38.352 102.595 1.00737.35 O ATOM 16081 C5* C 0 804 163.356 38.334 101.201 1.00737.35 C ATOM 16082 C4* C 0 804 163.336 36.914 100.680 1.00737.35 C ATOM 16083 O4* C 0 804 164.337 36.142 101.395 1.00737.35 O ATOM 16084 C3* C 0 804 162.035 36.149 100.889 1.00737.35 C ATOM 16085 O3* C 0 804 161.134 36.367 99.804 1.00737.35 O ATOM 16086 C2* C 0 804 162.506 34.700 100.921 1.00737.35 C ATOM 16087 O2* C 0 804 162.717 34.163 99.630 1.00737.35 O ATOM 16088 C1* C 0 804 163.852 34.830 101.638 1.00737.35 C ATOM 16089 N1 C 0 804 163.796 34.605 103.100 1.00737.35 N ATOM 16090 C2 C 0 804 163.515 33.314 103.584 1.00737.35 C ATOM 16091 O2 C 0 804 163.297 32.396 102.778 1.00737.35 O ATOM 16092 N3 C 0 804 163.488 33.102 104.921 1.00737.35 N ATOM 16093 C4 C 0 804 163.719 34.113 105.760 1.00737.35 C ATOM 16094 N4 C 0 804 163.691 33.855 107.069 1.00737.35 N ATOM 16095 C5 C 0 804 163.993 35.434 105.299 1.00737.35 C ATOM 16096 C6 C 0 804 164.020 35.631 103.977 1.00737.35 C ATOM 16097 P G 0 805 159.547 36.261 100.049 1.00737.35 P ATOM 16098 O1P G 0 805 159.061 37.629 100.363 1.00737.35 O ATOM 16099 O2P G 0 805 159.278 35.152 101.000 1.00737.35 O ATOM 16100 O5* G 0 805 158.962 35.851 98.621 1.00737.35 O ATOM 16101 C5* G 0 805 159.161 34.541 98.092 1.00737.35 C ATOM 16102 C4* G 0 805 158.450 34.394 96.765 1.00737.35 C ATOM 16103 O4* G 0 805 157.031 34.592 96.982 1.00737.35 O ATOM 16104 C3* G 0 805 158.837 35.423 95.706 1.00737.35 C ATOM 16105 O3* G 0 805 159.943 35.064 94.856 1.00737.35 O ATOM 16106 C2* G 0 805 157.576 35.501 94.846 1.00737.35 C ATOM 16107 O2* G 0 805 157.511 34.485 93.864 1.00737.35 O ATOM 16108 C1* G 0 805 156.470 35.287 95.883 1.00737.35 C ATOM 16109 N9 G 0 805 155.866 36.522 96.372 1.00737.35 N ATOM 16110 C8 G 0 805 156.393 37.399 97.290 1.00737.35 C ATOM 16111 N7 G 0 805 155.611 38.415 97.534 1.00737.35 N ATOM 16112 C5 G 0 805 154.499 38.197 96.733 1.00737.35 C ATOM 16113 C6 G 0 805 153.315 38.964 96.572 1.00737.35 C ATOM 16114 O6 G 0 805 153.000 40.023 97.128 1.00737.35 O ATOM 16115 N1 G 0 805 152.449 38.377 95.654 1.00737.35 N ATOM 16116 C2 G 0 805 152.687 37.207 94.978 1.00737.35 C ATOM 16117 N2 G 0 805 151.725 36.807 94.133 1.00737.35 N ATOM 16118 N3 G 0 805 153.785 36.483 95.118 1.00737.35 N ATOM 16119 C4 G 0 805 154.643 37.033 96.005 1.00737.35 C ATOM 16120 P A 0 806 160.698 33.645 95.021 1.00737.35 P ATOM 16121 O1P A 0 806 161.843 33.666 94.076 1.00737.35 O ATOM 16122 O2P A 0 806 159.692 32.555 94.921 1.00737.35 O ATOM 16123 O5* A 0 806 161.296 33.644 96.498 1.00737.35 O ATOM 16124 C5* A 0 806 162.019 32.516 96.987 1.00737.35 C ATOM 16125 C4* A 0 806 161.362 31.972 98.234 1.00737.35 C ATOM 16126 O4* A 0 806 159.959 31.722 97.967 1.00737.35 O ATOM 16127 C3* A 0 806 161.898 30.637 98.725 1.00737.35 C ATOM 16128 O3* A 0 806 163.043 30.825 99.549 1.00737.35 O ATOM 16129 C2* A 0 806 160.720 30.088 99.525 1.00737.35 C ATOM 16130 O2* A 0 806 160.652 30.605 100.840 1.00737.35 O ATOM 16131 C1* A 0 806 159.526 30.597 98.710 1.00737.35 C ATOM 16132 N9 A 0 806 158.965 29.618 97.781 1.00737.35 N ATOM 16133 C8 A 0 806 159.468 29.211 96.568 1.00737.35 C ATOM 16134 N7 A 0 806 158.724 28.317 95.961 1.00737.35 N ATOM 16135 C5 A 0 806 157.661 28.121 96.831 1.00737.35 C ATOM 16136 C6 A 0 806 156.525 27.291 96.765 1.00737.35 C ATOM 16137 N6 A 0 806 156.261 26.476 95.743 1.00737.35 N ATOM 16138 N1 A 0 806 155.658 27.334 97.802 1.00737.35 N ATOM 16139 C2 A 0 806 155.923 28.153 98.827 1.00737.35 C ATOM 16140 N3 A 0 806 156.954 28.978 99.003 1.00737.35 N ATOM 16141 C4 A 0 806 157.796 28.913 97.957 1.00737.35 C ATOM 16142 P A 0 807 164.398 30.012 99.238 1.00737.35 P ATOM 16143 O1P A 0 807 164.939 30.526 97.953 1.00737.35 O ATOM 16144 O2P A 0 807 164.117 28.562 99.387 1.00737.35 O ATOM 16145 O5* A 0 807 165.391 30.450 100.405 1.00737.35 O ATOM 16146 C5* A 0 807 165.438 31.800 100.861 1.00737.35 C ATOM 16147 C4* A 0 807 166.373 31.931 102.043 1.00737.35 C ATOM 16148 O4* A 0 807 165.939 31.038 103.105 1.00737.35 O ATOM 16149 C3* A 0 807 167.819 31.535 101.795 1.00737.35 C ATOM 16150 O3* A 0 807 168.545 32.616 101.220 1.00737.35 O ATOM 16151 C2* A 0 807 168.308 31.205 103.201 1.00737.35 C ATOM 16152 O2* A 0 807 168.648 32.353 103.956 1.00737.35 O ATOM 16153 C1* A 0 807 167.070 30.539 103.804 1.00737.35 C ATOM 16154 N9 A 0 807 167.080 29.078 103.688 1.00737.35 N ATOM 16155 C8 A 0 807 166.561 28.309 102.676 1.00737.35 C ATOM 16156 N7 A 0 807 166.728 27.022 102.852 1.00737.35 N ATOM 16157 C5 A 0 807 167.402 26.933 104.061 1.00737.35 C ATOM 16158 C6 A 0 807 167.874 25.835 104.803 1.00737.35 C ATOM 16159 N6 A 0 807 167.728 24.567 104.417 1.00737.35 N ATOM 16160 N1 A 0 807 168.507 26.088 105.969 1.00737.35 N ATOM 16161 C2 A 0 807 168.653 27.363 106.355 1.00737.35 C ATOM 16162 N3 A 0 807 168.252 28.480 105.744 1.00737.35 N ATOM 16163 C4 A 0 807 167.627 28.192 104.589 1.00737.35 C ATOM 16164 P C 0 808 169.876 32.323 100.366 1.00737.35 P ATOM 16165 O1P C 0 808 170.322 33.617 99.786 1.00737.35 O ATOM 16166 O2P C 0 808 169.617 31.168 99.465 1.00737.35 O ATOM 16167 O5* C 0 808 170.940 31.872 101.461 1.00737.35 O ATOM 16168 C5* C 0 808 171.382 32.777 102.471 1.00737.35 C ATOM 16169 C4* C 0 808 172.212 32.049 103.502 1.00737.35 C ATOM 16170 O4* C 0 808 171.384 31.071 104.183 1.00737.35 O ATOM 16171 C3* C 0 808 173.379 31.242 102.953 1.00737.35 C ATOM 16172 O3* C 0 808 174.524 32.065 102.766 1.00737.35 O ATOM 16173 C2* C 0 808 173.592 30.197 104.043 1.00737.35 C ATOM 16174 O2* C 0 808 174.337 30.685 105.142 1.00737.35 O ATOM 16175 C1* C 0 808 172.151 29.914 104.478 1.00737.35 C ATOM 16176 N1 C 0 808 171.539 28.753 103.797 1.00737.35 N ATOM 16177 C2 C 0 808 171.742 27.468 104.329 1.00737.35 C ATOM 16178 O2 C 0 808 172.438 27.333 105.351 1.00737.35 O ATOM 16179 N3 C 0 808 171.171 26.405 103.717 1.00737.35 N ATOM 16180 C4 C 0 808 170.435 26.580 102.618 1.00737.35 C ATOM 16181 N4 C 0 808 169.890 25.501 102.050 1.00737.35 N ATOM 16182 C5 C 0 808 170.220 27.871 102.052 1.00737.35 C ATOM 16183 C6 C 0 808 170.784 28.917 102.668 1.00737.35 C ATOM 16184 P C 0 809 175.613 31.675 101.649 1.00737.35 P ATOM 16185 O1P C 0 809 176.637 32.752 101.639 1.00737.35 O ATOM 16186 O2P C 0 809 174.901 31.330 100.394 1.00737.35 O ATOM 16187 O5* C 0 809 176.287 30.350 102.223 1.00737.35 O ATOM 16188 C5* C 0 809 177.107 30.388 103.390 1.00737.35 C ATOM 16189 C4* C 0 809 177.526 28.991 103.784 1.00737.35 C ATOM 16190 O4* C 0 809 176.358 28.227 104.183 1.00737.35 O ATOM 16191 C3* C 0 809 178.160 28.157 102.683 1.00737.35 C ATOM 16192 O3* C 0 809 179.550 28.447 102.554 1.00737.35 O ATOM 16193 C2* C 0 809 177.910 26.733 103.167 1.00737.35 C ATOM 16194 O2* C 0 809 178.842 26.300 104.136 1.00737.35 O ATOM 16195 C1* C 0 809 176.524 26.868 103.804 1.00737.35 C ATOM 16196 N1 C 0 809 175.420 26.484 102.900 1.00737.35 N ATOM 16197 C2 C 0 809 175.059 25.129 102.810 1.00737.35 C ATOM 16198 O2 C 0 809 175.674 24.289 103.491 1.00737.35 O ATOM 16199 N3 C 0 809 174.049 24.771 101.985 1.00737.35 N ATOM 16200 C4 C 0 809 173.410 25.697 101.266 1.00737.35 C ATOM 16201 N4 C 0 809 172.423 25.293 100.463 1.00737.35 N ATOM 16202 C5 C 0 809 173.756 27.079 101.338 1.00737.35 C ATOM 16203 C6 C 0 809 174.756 27.424 102.159 1.00737.35 C ATOM 16204 P U 0 810 180.287 28.208 101.145 1.00737.35 P ATOM 16205 O1P U 0 810 181.682 28.697 101.292 1.00737.35 O ATOM 16206 O2P U 0 810 179.429 28.756 100.064 1.00737.35 O ATOM 16207 O5* U 0 810 180.325 26.621 100.999 1.00737.35 O ATOM 16208 C5* U 0 810 181.146 25.829 101.854 1.00737.35 C ATOM 16209 C4* U 0 810 180.937 24.359 101.573 1.00737.35 C ATOM 16210 O4* U 0 810 179.582 23.978 101.937 1.00737.35 O ATOM 16211 C3* U 0 810 181.059 23.936 100.117 1.00737.35 C ATOM 16212 O3* U 0 810 182.421 23.745 99.747 1.00737.35 O ATOM 16213 C2* U 0 810 180.266 22.635 100.093 1.00737.35 C ATOM 16214 O2* U 0 810 180.999 21.527 100.576 1.00737.35 O ATOM 16215 C1* U 0 810 179.120 22.963 101.056 1.00737.35 C ATOM 16216 N1 U 0 810 177.905 23.444 100.375 1.00737.35 N ATOM 16217 C2 U 0 810 176.968 22.499 99.976 1.00737.35 C ATOM 16218 O2 U 0 810 177.102 21.301 100.171 1.00737.35 O ATOM 16219 N3 U 0 810 175.865 23.013 99.339 1.00737.35 N ATOM 16220 C4 U 0 810 175.603 24.341 99.066 1.00737.35 C ATOM 16221 O4 U 0 810 174.563 24.645 98.479 1.00737.35 O ATOM 16222 C5 U 0 810 176.613 25.250 99.510 1.00737.35 C ATOM 16223 C6 U 0 810 177.698 24.786 100.135 1.00737.35 C ATOM 16224 P G 0 811 182.868 23.953 98.217 1.00737.35 P ATOM 16225 O1P G 0 811 184.347 23.826 98.169 1.00737.35 O ATOM 16226 O2P G 0 811 182.224 25.188 97.698 1.00737.35 O ATOM 16227 O5* G 0 811 182.236 22.702 97.460 1.00737.35 O ATOM 16228 C5* G 0 811 182.707 21.382 97.712 1.00737.35 C ATOM 16229 C4* G 0 811 181.784 20.360 97.088 1.00737.35 C ATOM 16230 O4* G 0 811 180.478 20.433 97.720 1.00737.35 O ATOM 16231 C3* G 0 811 181.481 20.538 95.610 1.00737.35 C ATOM 16232 O3* G 0 811 182.517 20.002 94.795 1.00737.35 O ATOM 16233 C2* G 0 811 180.180 19.759 95.460 1.00737.35 C ATOM 16234 O2* G 0 811 180.380 18.360 95.365 1.00737.35 O ATOM 16235 C1* G 0 811 179.474 20.091 96.777 1.00737.35 C ATOM 16236 N9 G 0 811 178.539 21.208 96.653 1.00737.35 N ATOM 16237 C8 G 0 811 178.729 22.510 97.058 1.00737.35 C ATOM 16238 N7 G 0 811 177.703 23.279 96.808 1.00737.35 N ATOM 16239 C5 G 0 811 176.780 22.436 96.204 1.00737.35 C ATOM 16240 C6 G 0 811 175.477 22.703 95.707 1.00737.35 C ATOM 16241 O6 G 0 811 174.854 23.772 95.706 1.00737.35 O ATOM 16242 N1 G 0 811 174.890 21.561 95.172 1.00737.35 N ATOM 16243 C2 G 0 811 175.478 20.321 95.117 1.00737.35 C ATOM 16244 N2 G 0 811 174.751 19.343 94.558 1.00737.35 N ATOM 16245 N3 G 0 811 176.691 20.059 95.575 1.00737.35 N ATOM 16246 C4 G 0 811 177.280 21.154 96.102 1.00737.35 C ATOM 16247 P G 0 812 182.721 20.559 93.299 1.00737.35 P ATOM 16248 O1P G 0 812 183.840 19.793 92.690 1.00737.35 O ATOM 16249 O2P G 0 812 182.794 22.041 93.357 1.00737.35 O ATOM 16250 O5* G 0 812 181.374 20.154 92.550 1.00737.35 O ATOM 16251 C5* G 0 812 181.023 18.784 92.369 1.00737.35 C ATOM 16252 C4* G 0 812 179.713 18.665 91.620 1.00737.35 C ATOM 16253 O4* G 0 812 178.635 19.219 92.417 1.00737.35 O ATOM 16254 C3* G 0 812 179.621 19.414 90.304 1.00737.35 C ATOM 16255 O3* G 0 812 180.222 18.653 89.259 1.00737.35 O ATOM 16256 C2* G 0 812 178.114 19.551 90.112 1.00737.35 C ATOM 16257 O2* G 0 812 177.516 18.393 89.561 1.00737.35 O ATOM 16258 C1* G 0 812 177.633 19.736 91.556 1.00737.35 C ATOM 16259 N9 G 0 812 177.362 21.123 91.926 1.00737.35 N ATOM 16260 C8 G 0 812 178.248 22.041 92.437 1.00737.35 C ATOM 16261 N7 G 0 812 177.701 23.204 92.676 1.00737.35 N ATOM 16262 C5 G 0 812 176.375 23.045 92.298 1.00737.35 C ATOM 16263 C6 G 0 812 175.292 23.966 92.328 1.00737.35 C ATOM 16264 O6 G 0 812 175.289 25.143 92.711 1.00737.35 O ATOM 16265 N1 G 0 812 174.120 23.390 91.848 1.00737.35 N ATOM 16266 C2 G 0 812 173.999 22.098 91.398 1.00737.35 C ATOM 16267 N2 G 0 812 172.783 21.732 90.970 1.00737.35 N ATOM 16268 N3 G 0 812 174.998 21.230 91.371 1.00737.35 N ATOM 16269 C4 G 0 812 176.150 21.768 91.830 1.00737.35 C ATOM 16270 P A 0 813 180.929 19.401 88.024 1.00737.35 P ATOM 16271 O1P A 0 813 179.866 19.713 87.034 1.00737.35 O ATOM 16272 O2P A 0 813 182.098 18.583 87.607 1.00737.35 O ATOM 16273 O5* A 0 813 181.464 20.773 88.634 1.00737.35 O ATOM 16274 C5* A 0 813 182.593 21.434 88.067 1.00737.35 C ATOM 16275 C4* A 0 813 182.261 22.876 87.752 1.00737.35 C ATOM 16276 O4* A 0 813 181.137 22.913 86.832 1.00737.35 O ATOM 16277 C3* A 0 813 181.823 23.749 88.920 1.00737.35 C ATOM 16278 O3* A 0 813 182.964 24.269 89.610 1.00737.35 O ATOM 16279 C2* A 0 813 181.027 24.843 88.218 1.00737.35 C ATOM 16280 O2* A 0 813 181.851 25.838 87.647 1.00737.35 O ATOM 16281 C1* A 0 813 180.337 24.053 87.103 1.00737.35 C ATOM 16282 N9 A 0 813 178.980 23.608 87.432 1.00737.35 N ATOM 16283 C8 A 0 813 178.464 22.336 87.347 1.00737.35 C ATOM 16284 N7 A 0 813 177.205 22.249 87.700 1.00737.35 N ATOM 16285 C5 A 0 813 176.864 23.552 88.042 1.00737.35 C ATOM 16286 C6 A 0 813 175.665 24.124 88.497 1.00737.35 C ATOM 16287 N6 A 0 813 174.541 23.433 88.691 1.00737.35 N ATOM 16288 N1 A 0 813 175.659 25.452 88.750 1.00737.35 N ATOM 16289 C2 A 0 813 176.787 26.145 88.551 1.00737.35 C ATOM 16290 N3 A 0 813 177.974 25.721 88.127 1.00737.35 N ATOM 16291 C4 A 0 813 177.948 24.398 87.885 1.00737.35 C ATOM 16292 P G 0 814 182.779 25.387 90.756 1.00737.35 P ATOM 16293 O1P G 0 814 184.035 25.409 91.546 1.00737.35 O ATOM 16294 O2P G 0 814 181.483 25.166 91.445 1.00737.35 O ATOM 16295 O5* G 0 814 182.681 26.752 89.939 1.00737.35 O ATOM 16296 C5* G 0 814 182.779 28.018 90.591 1.00737.35 C ATOM 16297 C4* G 0 814 183.663 28.947 89.789 1.00737.35 C ATOM 16298 O4* G 0 814 185.007 28.398 89.757 1.00737.35 O ATOM 16299 C3* G 0 814 183.270 29.112 88.327 1.00737.35 C ATOM 16300 O3* G 0 814 182.331 30.170 88.169 1.00737.35 O ATOM 16301 C2* G 0 814 184.600 29.449 87.663 1.00737.35 C ATOM 16302 O2* G 0 814 184.953 30.815 87.773 1.00737.35 O ATOM 16303 C1* G 0 814 185.575 28.591 88.474 1.00737.35 C ATOM 16304 N9 G 0 814 185.828 27.275 87.890 1.00737.35 N ATOM 16305 C8 G 0 814 184.931 26.243 87.749 1.00737.35 C ATOM 16306 N7 G 0 814 185.450 25.187 87.185 1.00737.35 N ATOM 16307 C5 G 0 814 186.770 25.540 86.941 1.00737.35 C ATOM 16308 C6 G 0 814 187.823 24.802 86.346 1.00737.35 C ATOM 16309 O6 G 0 814 187.800 23.649 85.896 1.00737.35 O ATOM 16310 N1 G 0 814 189.001 25.542 86.298 1.00737.35 N ATOM 16311 C2 G 0 814 189.146 26.826 86.760 1.00737.35 C ATOM 16312 N2 G 0 814 190.366 27.369 86.624 1.00737.35 N ATOM 16313 N3 G 0 814 188.173 27.526 87.314 1.00737.35 N ATOM 16314 C4 G 0 814 187.019 26.827 87.372 1.00737.35 C ATOM 16315 P A 0 815 180.846 29.853 87.640 1.00737.35 P ATOM 16316 O1P A 0 815 180.120 31.147 87.596 1.00737.35 O ATOM 16317 O2P A 0 815 180.292 28.732 88.444 1.00737.35 O ATOM 16318 O5* A 0 815 181.046 29.354 86.139 1.00737.35 O ATOM 16319 C5* A 0 815 181.578 28.060 85.855 1.00737.35 C ATOM 16320 C4* A 0 815 180.523 27.189 85.212 1.00737.35 C ATOM 16321 O4* A 0 815 179.382 27.104 86.103 1.00737.35 O ATOM 16322 C3* A 0 815 179.951 27.707 83.899 1.00737.35 C ATOM 16323 O3* A 0 815 180.753 27.274 82.804 1.00737.35 O ATOM 16324 C2* A 0 815 178.567 27.068 83.869 1.00737.35 C ATOM 16325 O2* A 0 815 178.579 25.732 83.406 1.00737.35 O ATOM 16326 C1* A 0 815 178.183 27.094 85.349 1.00737.35 C ATOM 16327 N9 A 0 815 177.376 28.254 85.741 1.00737.35 N ATOM 16328 C8 A 0 815 177.737 29.304 86.553 1.00737.35 C ATOM 16329 N7 A 0 815 176.785 30.188 86.730 1.00737.35 N ATOM 16330 C5 A 0 815 175.725 29.691 85.983 1.00737.35 C ATOM 16331 C6 A 0 815 174.423 30.165 85.760 1.00737.35 C ATOM 16332 N6 A 0 815 173.943 31.292 86.293 1.00737.35 N ATOM 16333 N1 A 0 815 173.616 29.434 84.961 1.00737.35 N ATOM 16334 C2 A 0 815 174.098 28.304 84.429 1.00737.35 C ATOM 16335 N3 A 0 815 175.301 27.753 84.566 1.00737.35 N ATOM 16336 C4 A 0 815 176.078 28.504 85.367 1.00737.35 C ATOM 16337 P U 0 816 180.846 28.174 81.476 1.00737.35 P ATOM 16338 O1P U 0 816 181.630 27.409 80.475 1.00737.35 O ATOM 16339 O2P U 0 816 181.287 29.537 81.866 1.00737.35 O ATOM 16340 O5* U 0 816 179.338 28.268 80.964 1.00737.35 O ATOM 16341 C5* U 0 816 178.648 27.115 80.483 1.00737.35 C ATOM 16342 C4* U 0 816 177.194 27.450 80.226 1.00737.35 C ATOM 16343 O4* U 0 816 176.557 27.792 81.485 1.00737.35 O ATOM 16344 C3* U 0 816 176.966 28.658 79.332 1.00737.35 C ATOM 16345 O3* U 0 816 176.969 28.271 77.961 1.00737.35 O ATOM 16346 C2* U 0 816 175.599 29.156 79.785 1.00737.35 C ATOM 16347 O2* U 0 816 174.520 28.466 79.187 1.00737.35 O ATOM 16348 C1* U 0 816 175.637 28.852 81.284 1.00737.35 C ATOM 16349 N1 U 0 816 176.044 29.991 82.126 1.00737.35 N ATOM 16350 C2 U 0 816 175.064 30.894 82.514 1.00737.35 C ATOM 16351 O2 U 0 816 173.894 30.797 82.175 1.00737.35 O ATOM 16352 N3 U 0 816 175.505 31.917 83.313 1.00737.35 N ATOM 16353 C4 U 0 816 176.794 32.135 83.754 1.00737.35 C ATOM 16354 O4 U 0 816 177.029 33.095 84.485 1.00737.35 O ATOM 16355 C5 U 0 816 177.748 31.169 83.304 1.00737.35 C ATOM 16356 C6 U 0 816 177.353 30.159 82.528 1.00737.35 C ATOM 16357 P A 0 817 177.919 29.041 76.918 1.00737.35 P ATOM 16358 O1P A 0 817 177.639 28.481 75.569 1.00737.35 O ATOM 16359 O2P A 0 817 179.307 29.020 77.444 1.00737.35 O ATOM 16360 O5* A 0 817 177.393 30.545 76.957 1.00737.35 O ATOM 16361 C5* A 0 817 176.146 30.906 76.369 1.00737.35 C ATOM 16362 C4* A 0 817 175.841 32.359 76.639 1.00737.35 C ATOM 16363 O4* A 0 817 175.644 32.551 78.065 1.00737.35 O ATOM 16364 C3* A 0 817 176.950 33.335 76.279 1.00737.35 C ATOM 16365 O3* A 0 817 176.895 33.688 74.901 1.00737.35 O ATOM 16366 C2* A 0 817 176.641 34.523 77.182 1.00737.35 C ATOM 16367 O2* A 0 817 175.618 35.355 76.675 1.00737.35 O ATOM 16368 C1* A 0 817 176.156 33.816 78.452 1.00737.35 C ATOM 16369 N9 A 0 817 177.217 33.603 79.439 1.00737.35 N ATOM 16370 C8 A 0 817 178.217 32.663 79.415 1.00737.35 C ATOM 16371 N7 A 0 817 179.025 32.725 80.445 1.00737.35 N ATOM 16372 C5 A 0 817 178.523 33.774 81.202 1.00737.35 C ATOM 16373 C6 A 0 817 178.932 34.343 82.420 1.00737.35 C ATOM 16374 N6 A 0 817 179.988 33.917 83.117 1.00737.35 N ATOM 16375 N1 A 0 817 178.211 35.378 82.903 1.00737.35 N ATOM 16376 C2 A 0 817 177.154 35.805 82.203 1.00737.35 C ATOM 16377 N3 A 0 817 176.670 35.354 81.047 1.00737.35 N ATOM 16378 C4 A 0 817 177.407 34.324 80.595 1.00737.35 C ATOM 16379 P G 0 818 178.256 33.789 74.049 1.00737.35 P ATOM 16380 O1P G 0 818 178.620 32.414 73.626 1.00737.35 O ATOM 16381 O2P G 0 818 179.235 34.605 74.810 1.00737.35 O ATOM 16382 O5* G 0 818 177.827 34.609 72.752 1.00737.35 O ATOM 16383 C5* G 0 818 177.132 35.844 72.874 1.00737.35 C ATOM 16384 C4* G 0 818 176.111 35.985 71.772 1.00737.35 C ATOM 16385 O4* G 0 818 175.270 34.804 71.740 1.00737.35 O ATOM 16386 C3* G 0 818 175.135 37.135 71.958 1.00737.35 C ATOM 16387 O3* G 0 818 175.684 38.353 71.459 1.00737.35 O ATOM 16388 C2* G 0 818 173.933 36.680 71.135 1.00737.35 C ATOM 16389 O2* G 0 818 174.076 36.942 69.754 1.00737.35 O ATOM 16390 C1* G 0 818 173.948 35.170 71.379 1.00737.35 C ATOM 16391 N9 G 0 818 173.040 34.728 72.435 1.00737.35 N ATOM 16392 C8 G 0 818 173.242 34.798 73.792 1.00737.35 C ATOM 16393 N7 G 0 818 172.243 34.317 74.485 1.00737.35 N ATOM 16394 C5 G 0 818 171.326 33.908 73.526 1.00737.35 C ATOM 16395 C6 G 0 818 170.050 33.306 73.676 1.00737.35 C ATOM 16396 O6 G 0 818 169.456 33.007 74.719 1.00737.35 O ATOM 16397 N1 G 0 818 169.459 33.052 72.444 1.00737.35 N ATOM 16398 C2 G 0 818 170.020 33.338 71.223 1.00737.35 C ATOM 16399 N2 G 0 818 169.289 33.016 70.146 1.00737.35 N ATOM 16400 N3 G 0 818 171.208 33.897 71.070 1.00737.35 N ATOM 16401 C4 G 0 818 171.802 34.153 72.255 1.00737.35 C ATOM 16402 P C 0 819 176.469 39.346 72.452 1.00737.35 P ATOM 16403 O1P C 0 819 176.293 40.723 71.923 1.00737.35 O ATOM 16404 O2P C 0 819 177.837 38.811 72.655 1.00737.35 O ATOM 16405 O5* C 0 819 175.682 39.233 73.836 1.00737.35 O ATOM 16406 C5* C 0 819 174.465 39.944 74.051 1.00737.35 C ATOM 16407 C4* C 0 819 174.507 40.660 75.381 1.00737.35 C ATOM 16408 O4* C 0 819 174.568 39.683 76.457 1.00737.35 O ATOM 16409 C3* C 0 819 175.723 41.543 75.607 1.00737.35 C ATOM 16410 O3* C 0 819 175.543 42.825 75.016 1.00737.35 O ATOM 16411 C2* C 0 819 175.799 41.606 77.128 1.00737.35 C ATOM 16412 O2* C 0 819 174.903 42.545 77.691 1.00737.35 O ATOM 16413 C1* C 0 819 175.373 40.187 77.514 1.00737.35 C ATOM 16414 N1 C 0 819 176.509 39.263 77.726 1.00737.35 N ATOM 16415 C2 C 0 819 177.105 39.197 78.997 1.00737.35 C ATOM 16416 O2 C 0 819 176.670 39.915 79.913 1.00737.35 O ATOM 16417 N3 C 0 819 178.142 38.350 79.196 1.00737.35 N ATOM 16418 C4 C 0 819 178.590 37.595 78.190 1.00737.35 C ATOM 16419 N4 C 0 819 179.616 36.775 78.432 1.00737.35 N ATOM 16420 C5 C 0 819 178.006 37.644 76.891 1.00737.35 C ATOM 16421 C6 C 0 819 176.979 38.483 76.704 1.00737.35 C ATOM 16422 P U 0 820 176.817 43.644 74.477 1.00737.35 P ATOM 16423 O1P U 0 820 176.307 44.762 73.646 1.00737.35 O ATOM 16424 O2P U 0 820 177.788 42.682 73.892 1.00737.35 O ATOM 16425 O5* U 0 820 177.463 44.257 75.798 1.00737.35 O ATOM 16426 C5* U 0 820 176.797 45.286 76.528 1.00737.35 C ATOM 16427 C4* U 0 820 177.529 45.571 77.819 1.00737.35 C ATOM 16428 O4* U 0 820 177.476 44.396 78.674 1.00737.35 O ATOM 16429 C3* U 0 820 179.013 45.874 77.687 1.00737.35 C ATOM 16430 O3* U 0 820 179.224 47.247 77.376 1.00737.35 O ATOM 16431 C2* U 0 820 179.542 45.506 79.070 1.00737.35 C ATOM 16432 O2* U 0 820 179.332 46.522 80.030 1.00737.35 O ATOM 16433 C1* U 0 820 178.683 44.284 79.411 1.00737.35 C ATOM 16434 N1 U 0 820 179.320 42.998 79.080 1.00737.35 N ATOM 16435 C2 U 0 820 180.104 42.394 80.054 1.00737.35 C ATOM 16436 O2 U 0 820 180.287 42.879 81.160 1.00737.35 O ATOM 16437 N3 U 0 820 180.664 41.197 79.682 1.00737.35 N ATOM 16438 C4 U 0 820 180.528 40.555 78.467 1.00737.35 C ATOM 16439 O4 U 0 820 181.090 39.473 78.290 1.00737.35 O ATOM 16440 C5 U 0 820 179.713 41.241 77.517 1.00737.35 C ATOM 16441 C6 U 0 820 179.149 42.408 77.845 1.00737.35 C ATOM 16442 P A 0 821 180.560 47.691 76.599 1.00737.35 P ATOM 16443 O1P A 0 821 180.449 49.148 76.331 1.00737.35 O ATOM 16444 O2P A 0 821 180.785 46.755 75.468 1.00737.35 O ATOM 16445 O5* A 0 821 181.717 47.466 77.670 1.00737.35 O ATOM 16446 C5* A 0 821 181.780 48.254 78.858 1.00737.35 C ATOM 16447 C4* A 0 821 182.788 47.677 79.822 1.00737.35 C ATOM 16448 O4* A 0 821 182.349 46.360 80.253 1.00737.35 O ATOM 16449 C3* A 0 821 184.182 47.437 79.262 1.00737.35 C ATOM 16450 O3* A 0 821 184.963 48.627 79.293 1.00737.35 O ATOM 16451 C2* A 0 821 184.727 46.374 80.206 1.00737.35 C ATOM 16452 O2* A 0 821 185.208 46.906 81.424 1.00737.35 O ATOM 16453 C1* A 0 821 183.478 45.527 80.465 1.00737.35 C ATOM 16454 N9 A 0 821 183.377 44.367 79.577 1.00737.35 N ATOM 16455 C8 A 0 821 182.761 44.285 78.351 1.00737.35 C ATOM 16456 N7 A 0 821 182.848 43.103 77.793 1.00737.35 N ATOM 16457 C5 A 0 821 183.565 42.352 78.714 1.00737.35 C ATOM 16458 C6 A 0 821 183.996 41.013 78.711 1.00737.35 C ATOM 16459 N6 A 0 821 183.755 40.160 77.713 1.00737.35 N ATOM 16460 N1 A 0 821 184.692 40.576 79.782 1.00737.35 N ATOM 16461 C2 A 0 821 184.936 41.434 80.781 1.00737.35 C ATOM 16462 N3 A 0 821 184.586 42.713 80.899 1.00737.35 N ATOM 16463 C4 A 0 821 183.896 43.116 79.819 1.00737.35 C ATOM 16464 P G 0 822 186.174 48.811 78.253 1.00737.35 P ATOM 16465 O1P G 0 822 186.741 50.166 78.469 1.00737.35 O ATOM 16466 O2P G 0 822 185.700 48.422 76.902 1.00737.35 O ATOM 16467 O5* G 0 822 187.251 47.735 78.725 1.00737.35 O ATOM 16468 C5* G 0 822 187.955 47.890 79.953 1.00737.35 C ATOM 16469 C4* G 0 822 188.825 46.684 80.218 1.00737.35 C ATOM 16470 O4* G 0 822 187.989 45.512 80.404 1.00737.35 O ATOM 16471 C3* G 0 822 189.773 46.291 79.095 1.00737.35 C ATOM 16472 O3* G 0 822 190.975 47.055 79.145 1.00737.35 O ATOM 16473 C2* G 0 822 190.027 44.818 79.392 1.00737.35 C ATOM 16474 O2* G 0 822 190.991 44.622 80.407 1.00737.35 O ATOM 16475 C1* G 0 822 188.650 44.366 79.894 1.00737.35 C ATOM 16476 N9 G 0 822 187.817 43.765 78.853 1.00737.35 N ATOM 16477 C8 G 0 822 186.764 44.349 78.188 1.00737.35 C ATOM 16478 N7 G 0 822 186.210 43.558 77.310 1.00737.35 N ATOM 16479 C5 G 0 822 186.937 42.378 77.401 1.00737.35 C ATOM 16480 C6 G 0 822 186.799 41.154 76.693 1.00737.35 C ATOM 16481 O6 G 0 822 185.977 40.856 75.815 1.00737.35 O ATOM 16482 N1 G 0 822 187.750 40.222 77.097 1.00737.35 N ATOM 16483 C2 G 0 822 188.708 40.434 78.057 1.00737.35 C ATOM 16484 N2 G 0 822 189.536 39.407 78.303 1.00737.35 N ATOM 16485 N3 G 0 822 188.844 41.567 78.726 1.00737.35 N ATOM 16486 C4 G 0 822 187.933 42.491 78.349 1.00737.35 C ATOM 16487 P U 0 823 191.827 47.295 77.802 1.00737.35 P ATOM 16488 O1P U 0 823 193.020 48.096 78.176 1.00737.35 O ATOM 16489 O2P U 0 823 190.909 47.796 76.746 1.00737.35 O ATOM 16490 O5* U 0 823 192.313 45.836 77.388 1.00737.35 O ATOM 16491 C5* U 0 823 193.194 45.089 78.228 1.00737.35 C ATOM 16492 C4* U 0 823 193.315 43.666 77.735 1.00737.35 C ATOM 16493 O4* U 0 823 192.014 43.024 77.791 1.00737.35 O ATOM 16494 C3* U 0 823 193.754 43.495 76.290 1.00737.35 C ATOM 16495 O3* U 0 823 195.173 43.556 76.180 1.00737.35 O ATOM 16496 C2* U 0 823 193.210 42.111 75.947 1.00737.35 C ATOM 16497 O2* U 0 823 194.034 41.062 76.416 1.00737.35 O ATOM 16498 C1* U 0 823 191.884 42.111 76.710 1.00737.35 C ATOM 16499 N1 U 0 823 190.732 42.515 75.884 1.00737.35 N ATOM 16500 C2 U 0 823 190.112 41.536 75.116 1.00737.35 C ATOM 16501 O2 U 0 823 190.477 40.372 75.095 1.00737.35 O ATOM 16502 N3 U 0 823 189.048 41.978 74.368 1.00737.35 N ATOM 16503 C4 U 0 823 188.546 43.262 74.308 1.00737.35 C ATOM 16504 O4 U 0 823 187.577 43.499 73.586 1.00737.35 O ATOM 16505 C5 U 0 823 189.236 44.211 75.127 1.00737.35 C ATOM 16506 C6 U 0 823 190.277 43.817 75.868 1.00737.35 C ATOM 16507 P U 0 824 195.855 43.833 74.751 1.00737.35 P ATOM 16508 O1P U 0 824 194.999 44.800 74.014 1.00737.35 O ATOM 16509 O2P U 0 824 196.175 42.520 74.133 1.00737.35 O ATOM 16510 O5* U 0 824 197.225 44.556 75.118 1.00737.35 O ATOM 16511 C5* U 0 824 197.237 45.916 75.544 1.00737.35 C ATOM 16512 C4* U 0 824 198.385 46.160 76.498 1.00737.35 C ATOM 16513 O4* U 0 824 198.185 45.373 77.703 1.00737.35 O ATOM 16514 C3* U 0 824 199.765 45.756 76.005 1.00737.35 C ATOM 16515 O3* U 0 824 200.263 46.694 75.033 1.00737.35 O ATOM 16516 C2* U 0 824 200.525 45.513 77.308 1.00737.35 C ATOM 16517 O2* U 0 824 200.993 46.675 77.963 1.00737.35 O ATOM 16518 C1* U 0 824 199.432 44.878 78.171 1.00737.35 C ATOM 16519 N1 U 0 824 199.402 43.405 78.118 1.00737.35 N ATOM 16520 C2 U 0 824 200.201 42.707 79.012 1.00737.35 C ATOM 16521 O2 U 0 824 200.924 43.253 79.830 1.00737.35 O ATOM 16522 N3 U 0 824 200.123 41.338 78.911 1.00737.35 N ATOM 16523 C4 U 0 824 199.348 40.612 78.031 1.00737.35 C ATOM 16524 O4 U 0 824 199.381 39.382 78.069 1.00737.35 O ATOM 16525 C5 U 0 824 198.554 41.402 77.140 1.00737.35 C ATOM 16526 C6 U 0 824 198.606 42.734 77.211 1.00737.35 C ATOM 16527 P C 0 825 201.379 47.795 75.418 1.00737.35 P ATOM 16528 O1P C 0 825 200.818 48.644 76.500 1.00737.35 O ATOM 16529 O2P C 0 825 201.815 48.431 74.153 1.00737.35 O ATOM 16530 O5* C 0 825 202.615 46.973 76.003 1.00737.35 O ATOM 16531 C5* C 0 825 203.157 45.845 75.320 1.00737.35 C ATOM 16532 C4* C 0 825 204.572 46.136 74.875 1.00737.35 C ATOM 16533 O4* C 0 825 205.320 44.901 74.758 1.00737.35 O ATOM 16534 C3* C 0 825 204.723 46.795 73.515 1.00737.35 C ATOM 16535 O3* C 0 825 204.526 48.204 73.570 1.00737.35 O ATOM 16536 C2* C 0 825 206.158 46.436 73.144 1.00737.35 C ATOM 16537 O2* C 0 825 207.116 47.287 73.743 1.00737.35 O ATOM 16538 C1* C 0 825 206.279 45.024 73.721 1.00737.35 C ATOM 16539 N1 C 0 825 206.054 43.954 72.729 1.00737.35 N ATOM 16540 C2 C 0 825 207.114 43.581 71.884 1.00737.35 C ATOM 16541 O2 C 0 825 208.206 44.163 71.991 1.00737.35 O ATOM 16542 N3 C 0 825 206.917 42.597 70.976 1.00737.35 N ATOM 16543 C4 C 0 825 205.728 41.996 70.889 1.00737.35 C ATOM 16544 N4 C 0 825 205.585 41.031 69.978 1.00737.35 N ATOM 16545 C5 C 0 825 204.636 42.358 71.728 1.00737.35 C ATOM 16546 C6 C 0 825 204.839 43.333 72.623 1.00737.35 C ATOM 16547 P U 0 826 204.072 48.997 72.247 1.00737.35 P ATOM 16548 O1P U 0 826 203.919 50.427 72.621 1.00737.35 O ATOM 16549 O2P U 0 826 202.928 48.273 71.633 1.00737.35 O ATOM 16550 O5* U 0 826 205.323 48.862 71.269 1.00737.35 O ATOM 16551 C5* U 0 826 206.502 49.634 71.482 1.00737.35 C ATOM 16552 C4* U 0 826 207.461 49.471 70.322 1.00737.35 C ATOM 16553 O4* U 0 826 207.980 48.116 70.297 1.00737.35 O ATOM 16554 C3* U 0 826 206.883 49.665 68.932 1.00737.35 C ATOM 16555 O3* U 0 826 206.786 51.045 68.598 1.00737.35 O ATOM 16556 C2* U 0 826 207.899 48.933 68.059 1.00737.35 C ATOM 16557 O2* U 0 826 209.047 49.707 67.780 1.00737.35 O ATOM 16558 C1* U 0 826 208.280 47.752 68.958 1.00737.35 C ATOM 16559 N1 U 0 826 207.573 46.503 68.626 1.00737.35 N ATOM 16560 C2 U 0 826 208.126 45.690 67.644 1.00737.35 C ATOM 16561 O2 U 0 826 209.162 45.963 67.055 1.00737.35 O ATOM 16562 N3 U 0 826 207.422 44.543 67.377 1.00737.35 N ATOM 16563 C4 U 0 826 206.247 44.128 67.969 1.00737.35 C ATOM 16564 O4 U 0 826 205.736 43.065 67.617 1.00737.35 O ATOM 16565 C5 U 0 826 205.739 45.018 68.971 1.00737.35 C ATOM 16566 C6 U 0 826 206.401 46.145 69.257 1.00737.35 C ATOM 16567 P C 0 827 205.774 51.519 67.441 1.00737.35 P ATOM 16568 O1P C 0 827 205.733 53.004 67.475 1.00737.35 O ATOM 16569 O2P C 0 827 204.509 50.749 67.569 1.00737.35 O ATOM 16570 O5* C 0 827 206.496 51.070 66.095 1.00737.35 O ATOM 16571 C5* C 0 827 207.748 51.640 65.716 1.00737.35 C ATOM 16572 C4* C 0 827 208.363 50.859 64.576 1.00737.35 C ATOM 16573 O4* C 0 827 208.632 49.500 65.007 1.00737.35 O ATOM 16574 C3* C 0 827 207.502 50.686 63.335 1.00737.35 C ATOM 16575 O3* C 0 827 207.567 51.838 62.500 1.00737.35 O ATOM 16576 C2* C 0 827 208.137 49.465 62.677 1.00737.35 C ATOM 16577 O2* C 0 827 209.303 49.773 61.941 1.00737.35 O ATOM 16578 C1* C 0 827 208.507 48.619 63.899 1.00737.35 C ATOM 16579 N1 C 0 827 207.509 47.578 64.219 1.00737.35 N ATOM 16580 C2 C 0 827 207.644 46.309 63.629 1.00737.35 C ATOM 16581 O2 C 0 827 208.600 46.093 62.867 1.00737.35 O ATOM 16582 N3 C 0 827 206.730 45.351 63.906 1.00737.35 N ATOM 16583 C4 C 0 827 205.715 45.616 64.731 1.00737.35 C ATOM 16584 N4 C 0 827 204.835 44.639 64.971 1.00737.35 N ATOM 16585 C5 C 0 827 205.554 46.892 65.347 1.00737.35 C ATOM 16586 C6 C 0 827 206.464 47.834 65.064 1.00737.35 C ATOM 16587 P C 0 828 206.400 52.115 61.429 1.00737.35 P ATOM 16588 O1P C 0 828 206.657 53.450 60.831 1.00737.35 O ATOM 16589 O2P C 0 828 205.090 51.842 62.075 1.00737.35 O ATOM 16590 O5* C 0 828 206.643 51.010 60.306 1.00737.35 O ATOM 16591 C5* C 0 828 207.853 50.991 59.553 1.00737.35 C ATOM 16592 C4* C 0 828 207.920 49.753 58.688 1.00737.35 C ATOM 16593 O4* C 0 828 207.943 48.570 59.531 1.00737.35 O ATOM 16594 C3* C 0 828 206.735 49.521 57.764 1.00737.35 C ATOM 16595 O3* C 0 828 206.867 50.279 56.566 1.00737.35 O ATOM 16596 C2* C 0 828 206.818 48.020 57.503 1.00737.35 C ATOM 16597 O2* C 0 828 207.767 47.678 56.513 1.00737.35 O ATOM 16598 C1* C 0 828 207.283 47.502 58.868 1.00737.35 C ATOM 16599 N1 C 0 828 206.177 47.014 59.722 1.00737.35 N ATOM 16600 C2 C 0 828 205.761 45.677 59.593 1.00737.35 C ATOM 16601 O2 C 0 828 206.334 44.940 58.774 1.00737.35 O ATOM 16602 N3 C 0 828 204.748 45.224 60.365 1.00737.35 N ATOM 16603 C4 C 0 828 204.152 46.044 61.236 1.00737.35 C ATOM 16604 N4 C 0 828 203.157 45.550 61.975 1.00737.35 N ATOM 16605 C5 C 0 828 204.555 47.403 61.390 1.00737.35 C ATOM 16606 C6 C 0 828 205.560 47.842 60.620 1.00737.35 C ATOM 16607 P C 0 829 205.556 50.687 55.730 1.00737.35 P ATOM 16608 O1P C 0 829 205.996 51.593 54.639 1.00737.35 O ATOM 16609 O2P C 0 829 204.509 51.142 56.682 1.00737.35 O ATOM 16610 O5* C 0 829 205.077 49.313 55.079 1.00737.35 O ATOM 16611 C5* C 0 829 205.815 48.708 54.021 1.00737.35 C ATOM 16612 C4* C 0 829 205.112 47.461 53.534 1.00737.35 C ATOM 16613 O4* C 0 829 205.140 46.447 54.571 1.00737.35 O ATOM 16614 C3* C 0 829 203.637 47.619 53.208 1.00737.35 C ATOM 16615 O3* C 0 829 203.454 48.145 51.896 1.00737.35 O ATOM 16616 C2* C 0 829 203.124 46.187 53.332 1.00737.35 C ATOM 16617 O2* C 0 829 203.380 45.402 52.184 1.00737.35 O ATOM 16618 C1* C 0 829 203.954 45.670 54.511 1.00737.35 C ATOM 16619 N1 C 0 829 203.259 45.757 55.813 1.00737.35 N ATOM 16620 C2 C 0 829 202.416 44.700 56.203 1.00737.35 C ATOM 16621 O2 C 0 829 202.278 43.725 55.449 1.00737.35 O ATOM 16622 N3 C 0 829 201.778 44.775 57.394 1.00737.35 N ATOM 16623 C4 C 0 829 201.948 45.838 58.180 1.00737.35 C ATOM 16624 N4 C 0 829 201.296 45.864 59.346 1.00737.35 N ATOM 16625 C5 C 0 829 202.795 46.923 57.810 1.00737.35 C ATOM 16626 C6 C 0 829 203.423 46.843 56.630 1.00737.35 C ATOM 16627 P C 0 830 202.140 49.008 51.560 1.00737.35 P ATOM 16628 O1P C 0 830 202.328 49.589 50.204 1.00737.35 O ATOM 16629 O2P C 0 830 201.856 49.906 52.708 1.00737.35 O ATOM 16630 O5* C 0 830 200.980 47.918 51.479 1.00737.35 O ATOM 16631 C5* C 0 830 200.979 46.928 50.452 1.00737.35 C ATOM 16632 C4* C 0 830 199.912 45.891 50.719 1.00737.35 C ATOM 16633 O4* C 0 830 200.220 45.183 51.949 1.00737.35 O ATOM 16634 C3* C 0 830 198.504 46.421 50.941 1.00737.35 C ATOM 16635 O3* C 0 830 197.845 46.657 49.700 1.00737.35 O ATOM 16636 C2* C 0 830 197.853 45.279 51.711 1.00737.35 C ATOM 16637 O2* C 0 830 197.428 44.225 50.870 1.00737.35 O ATOM 16638 C1* C 0 830 199.012 44.794 52.585 1.00737.35 C ATOM 16639 N1 C 0 830 198.993 45.336 53.961 1.00737.35 N ATOM 16640 C2 C 0 830 198.187 44.705 54.925 1.00737.35 C ATOM 16641 O2 C 0 830 197.516 43.713 54.602 1.00737.35 O ATOM 16642 N3 C 0 830 198.161 45.196 56.187 1.00737.35 N ATOM 16643 C4 C 0 830 198.897 46.264 56.505 1.00737.35 C ATOM 16644 N4 C 0 830 198.838 46.709 57.763 1.00737.35 N ATOM 16645 C5 C 0 830 199.722 46.922 55.548 1.00737.35 C ATOM 16646 C6 C 0 830 199.741 46.432 54.302 1.00737.35 C ATOM 16647 P G 0 831 196.809 47.879 49.566 1.00737.35 P ATOM 16648 O1P G 0 831 196.257 47.837 48.187 1.00737.35 O ATOM 16649 O2P G 0 831 197.475 49.113 50.050 1.00737.35 O ATOM 16650 O5* G 0 831 195.639 47.509 50.584 1.00737.35 O ATOM 16651 C5* G 0 831 194.750 46.428 50.315 1.00737.35 C ATOM 16652 C4* G 0 831 193.881 46.145 51.521 1.00737.35 C ATOM 16653 O4* G 0 831 194.718 45.730 52.632 1.00737.35 O ATOM 16654 C3* G 0 831 193.088 47.321 52.064 1.00737.35 C ATOM 16655 O3* G 0 831 191.863 47.482 51.350 1.00737.35 O ATOM 16656 C2* G 0 831 192.850 46.909 53.512 1.00737.35 C ATOM 16657 O2* G 0 831 191.777 45.997 53.662 1.00737.35 O ATOM 16658 C1* G 0 831 194.167 46.204 53.850 1.00737.35 C ATOM 16659 N9 G 0 831 195.148 47.070 54.500 1.00737.35 N ATOM 16660 C8 G 0 831 196.275 47.619 53.934 1.00737.35 C ATOM 16661 N7 G 0 831 196.961 48.354 54.765 1.00737.35 N ATOM 16662 C5 G 0 831 196.249 48.288 55.954 1.00737.35 C ATOM 16663 C6 G 0 831 196.509 48.886 57.215 1.00737.35 C ATOM 16664 O6 G 0 831 197.451 49.619 57.540 1.00737.35 O ATOM 16665 N1 G 0 831 195.531 48.558 58.147 1.00737.35 N ATOM 16666 C2 G 0 831 194.444 47.757 57.902 1.00737.35 C ATOM 16667 N2 G 0 831 193.614 47.558 58.936 1.00737.35 N ATOM 16668 N3 G 0 831 194.189 47.194 56.730 1.00737.35 N ATOM 16669 C4 G 0 831 195.127 47.500 55.810 1.00737.35 C ATOM 16670 P A 0 832 191.165 48.931 51.263 1.00737.35 P ATOM 16671 O1P A 0 832 190.878 49.190 49.831 1.00737.35 O ATOM 16672 O2P A 0 832 191.964 49.913 52.042 1.00737.35 O ATOM 16673 O5* A 0 832 189.769 48.726 52.009 1.00737.35 O ATOM 16674 C5* A 0 832 189.723 48.220 53.340 1.00737.35 C ATOM 16675 C4* A 0 832 188.697 47.117 53.446 1.00737.35 C ATOM 16676 O4* A 0 832 188.860 46.437 54.719 1.00737.35 O ATOM 16677 C3* A 0 832 187.241 47.553 53.432 1.00737.35 C ATOM 16678 O3* A 0 832 186.754 47.711 52.100 1.00737.35 O ATOM 16679 C2* A 0 832 186.552 46.398 54.148 1.00737.35 C ATOM 16680 O2* A 0 832 186.313 45.286 53.310 1.00737.35 O ATOM 16681 C1* A 0 832 187.593 46.034 55.209 1.00737.35 C ATOM 16682 N9 A 0 832 187.370 46.691 56.499 1.00737.35 N ATOM 16683 C8 A 0 832 187.726 47.962 56.878 1.00737.35 C ATOM 16684 N7 A 0 832 187.387 48.261 58.109 1.00737.35 N ATOM 16685 C5 A 0 832 186.766 47.109 58.573 1.00737.35 C ATOM 16686 C6 A 0 832 186.181 46.781 59.809 1.00737.35 C ATOM 16687 N6 A 0 832 186.128 47.618 60.846 1.00737.35 N ATOM 16688 N1 A 0 832 185.644 45.549 59.941 1.00737.35 N ATOM 16689 C2 A 0 832 185.701 44.711 58.900 1.00737.35 C ATOM 16690 N3 A 0 832 186.224 44.902 57.691 1.00737.35 N ATOM 16691 C4 A 0 832 186.745 46.135 57.590 1.00737.35 C ATOM 16692 P A 0 833 185.570 48.759 51.802 1.00737.35 P ATOM 16693 O1P A 0 833 185.235 48.648 50.359 1.00737.35 O ATOM 16694 O2P A 0 833 185.961 50.077 52.364 1.00737.35 O ATOM 16695 O5* A 0 833 184.333 48.204 52.644 1.00737.35 O ATOM 16696 C5* A 0 833 183.730 46.952 52.328 1.00737.35 C ATOM 16697 C4* A 0 833 182.813 46.510 53.446 1.00737.35 C ATOM 16698 O4* A 0 833 183.589 46.360 54.665 1.00737.35 O ATOM 16699 C3* A 0 833 181.701 47.479 53.822 1.00737.35 C ATOM 16700 O3* A 0 833 180.564 47.300 52.983 1.00737.35 O ATOM 16701 C2* A 0 833 181.410 47.092 55.267 1.00737.35 C ATOM 16702 O2* A 0 833 180.586 45.949 55.384 1.00737.35 O ATOM 16703 C1* A 0 833 182.815 46.770 55.781 1.00737.35 C ATOM 16704 N9 A 0 833 183.480 47.915 56.409 1.00737.35 N ATOM 16705 C8 A 0 833 184.257 48.877 55.806 1.00737.35 C ATOM 16706 N7 A 0 833 184.715 49.781 56.636 1.00737.35 N ATOM 16707 C5 A 0 833 184.210 49.392 57.866 1.00737.35 C ATOM 16708 C6 A 0 833 184.336 49.940 59.156 1.00737.35 C ATOM 16709 N6 A 0 833 185.039 51.042 59.427 1.00737.35 N ATOM 16710 N1 A 0 833 183.703 49.309 60.170 1.00737.35 N ATOM 16711 C2 A 0 833 183.000 48.204 59.898 1.00737.35 C ATOM 16712 N3 A 0 833 182.808 47.594 58.730 1.00737.35 N ATOM 16713 C4 A 0 833 183.448 48.245 57.742 1.00737.35 C ATOM 16714 P A 0 834 179.434 48.445 52.908 1.00737.35 P ATOM 16715 O1P A 0 834 178.532 48.101 51.779 1.00737.35 O ATOM 16716 O2P A 0 834 180.100 49.773 52.935 1.00737.35 O ATOM 16717 O5* A 0 834 178.620 48.271 54.269 1.00737.35 O ATOM 16718 C5* A 0 834 177.795 47.128 54.490 1.00737.35 C ATOM 16719 C4* A 0 834 177.214 47.161 55.885 1.00737.35 C ATOM 16720 O4* A 0 834 178.292 47.076 56.855 1.00737.35 O ATOM 16721 C3* A 0 834 176.465 48.431 56.260 1.00737.35 C ATOM 16722 O3* A 0 834 175.109 48.376 55.826 1.00737.35 O ATOM 16723 C2* A 0 834 176.563 48.422 57.781 1.00737.35 C ATOM 16724 O2* A 0 834 175.613 47.574 58.397 1.00737.35 O ATOM 16725 C1* A 0 834 177.973 47.863 57.993 1.00737.35 C ATOM 16726 N9 A 0 834 178.992 48.902 58.140 1.00737.35 N ATOM 16727 C8 A 0 834 179.715 49.526 57.151 1.00737.35 C ATOM 16728 N7 A 0 834 180.558 50.423 57.597 1.00737.35 N ATOM 16729 C5 A 0 834 180.383 50.388 58.974 1.00737.35 C ATOM 16730 C6 A 0 834 180.985 51.106 60.023 1.00737.35 C ATOM 16731 N6 A 0 834 181.928 52.034 59.838 1.00737.35 N ATOM 16732 N1 A 0 834 180.583 50.832 61.282 1.00737.35 N ATOM 16733 C2 A 0 834 179.640 49.901 61.465 1.00737.35 C ATOM 16734 N3 A 0 834 179.000 49.160 60.565 1.00737.35 N ATOM 16735 C4 A 0 834 179.420 49.456 59.322 1.00737.35 C ATOM 16736 P U 0 835 174.548 49.492 54.809 1.00737.35 P ATOM 16737 O1P U 0 835 175.440 50.678 54.873 1.00737.35 O ATOM 16738 O2P U 0 835 173.096 49.655 55.063 1.00737.35 O ATOM 16739 O5* U 0 835 174.735 48.825 53.374 1.00737.35 O ATOM 16740 C5* U 0 835 173.939 47.712 52.976 1.00737.35 C ATOM 16741 C4* U 0 835 174.473 47.113 51.697 1.00737.35 C ATOM 16742 O4* U 0 835 175.842 46.673 51.911 1.00737.35 O ATOM 16743 C3* U 0 835 173.751 45.866 51.221 1.00737.35 C ATOM 16744 O3* U 0 835 172.597 46.207 50.459 1.00737.35 O ATOM 16745 C2* U 0 835 174.814 45.178 50.376 1.00737.35 C ATOM 16746 O2* U 0 835 174.930 45.726 49.074 1.00737.35 O ATOM 16747 C1* U 0 835 176.081 45.480 51.180 1.00737.35 C ATOM 16748 N1 U 0 835 176.441 44.410 52.129 1.00737.35 N ATOM 16749 C2 U 0 835 177.263 43.388 51.670 1.00737.35 C ATOM 16750 O2 U 0 835 177.694 43.339 50.529 1.00737.35 O ATOM 16751 N3 U 0 835 177.559 42.423 52.602 1.00737.35 N ATOM 16752 C4 U 0 835 177.132 42.372 53.913 1.00737.35 C ATOM 16753 O4 U 0 835 177.487 41.435 54.629 1.00737.35 O ATOM 16754 C5 U 0 835 176.291 43.459 54.310 1.00737.35 C ATOM 16755 C6 U 0 835 175.981 44.416 53.429 1.00737.35 C ATOM 16756 P G 0 836 171.246 45.351 50.634 1.00737.35 P ATOM 16757 O1P G 0 836 170.205 45.996 49.793 1.00737.35 O ATOM 16758 O2P G 0 836 170.995 45.155 52.085 1.00737.35 O ATOM 16759 O5* G 0 836 171.606 43.935 49.996 1.00737.35 O ATOM 16760 C5* G 0 836 171.629 43.751 48.582 1.00737.35 C ATOM 16761 C4* G 0 836 171.893 42.301 48.244 1.00737.35 C ATOM 16762 O4* G 0 836 173.242 41.946 48.644 1.00737.35 O ATOM 16763 C3* G 0 836 171.010 41.290 48.955 1.00737.35 C ATOM 16764 O3* G 0 836 169.766 41.129 48.281 1.00737.35 O ATOM 16765 C2* G 0 836 171.859 40.025 48.904 1.00737.35 C ATOM 16766 O2* G 0 836 171.778 39.351 47.663 1.00737.35 O ATOM 16767 C1* G 0 836 173.267 40.597 49.090 1.00737.35 C ATOM 16768 N9 G 0 836 173.734 40.574 50.475 1.00737.35 N ATOM 16769 C8 G 0 836 173.769 41.625 51.361 1.00737.35 C ATOM 16770 N7 G 0 836 174.242 41.294 52.531 1.00737.35 N ATOM 16771 C5 G 0 836 174.537 39.942 52.414 1.00737.35 C ATOM 16772 C6 G 0 836 175.075 39.034 53.364 1.00737.35 C ATOM 16773 O6 G 0 836 175.413 39.250 54.532 1.00737.35 O ATOM 16774 N1 G 0 836 175.207 37.757 52.827 1.00737.35 N ATOM 16775 C2 G 0 836 174.870 37.397 51.545 1.00737.35 C ATOM 16776 N2 G 0 836 175.073 36.112 51.218 1.00737.35 N ATOM 16777 N3 G 0 836 174.366 38.234 50.653 1.00737.35 N ATOM 16778 C4 G 0 836 174.228 39.481 51.151 1.00737.35 C ATOM 16779 P U 0 837 168.447 40.752 49.119 1.00737.35 P ATOM 16780 O1P U 0 837 167.301 40.778 48.173 1.00737.35 O ATOM 16781 O2P U 0 837 168.406 41.594 50.341 1.00737.35 O ATOM 16782 O5* U 0 837 168.696 39.240 49.563 1.00737.35 O ATOM 16783 C5* U 0 837 168.686 38.185 48.603 1.00737.35 C ATOM 16784 C4* U 0 837 169.041 36.872 49.263 1.00737.35 C ATOM 16785 O4* U 0 837 170.407 36.927 49.753 1.00737.35 O ATOM 16786 C3* U 0 837 168.222 36.500 50.489 1.00737.35 C ATOM 16787 O3* U 0 837 166.989 35.890 50.125 1.00737.35 O ATOM 16788 C2* U 0 837 169.151 35.533 51.212 1.00737.35 C ATOM 16789 O2* U 0 837 169.122 34.225 50.674 1.00737.35 O ATOM 16790 C1* U 0 837 170.518 36.172 50.950 1.00737.35 C ATOM 16791 N1 U 0 837 170.958 37.066 52.035 1.00737.35 N ATOM 16792 C2 U 0 837 171.691 36.511 53.077 1.00737.35 C ATOM 16793 O2 U 0 837 171.989 35.327 53.124 1.00737.35 O ATOM 16794 N3 U 0 837 172.063 37.396 54.058 1.00737.35 N ATOM 16795 C4 U 0 837 171.789 38.747 54.109 1.00737.35 C ATOM 16796 O4 U 0 837 172.200 39.411 55.061 1.00737.35 O ATOM 16797 C5 U 0 837 171.032 39.246 53.004 1.00737.35 C ATOM 16798 C6 U 0 837 170.652 38.412 52.028 1.00737.35 C ATOM 16799 P A 0 838 165.746 35.932 51.144 1.00737.35 P ATOM 16800 O1P A 0 838 164.587 35.312 50.453 1.00737.35 O ATOM 16801 O2P A 0 838 165.625 37.311 51.688 1.00737.35 O ATOM 16802 O5* A 0 838 166.195 34.968 52.332 1.00737.35 O ATOM 16803 C5* A 0 838 166.371 33.569 52.110 1.00737.35 C ATOM 16804 C4* A 0 838 167.013 32.920 53.315 1.00737.35 C ATOM 16805 O4* A 0 838 168.351 33.451 53.503 1.00737.35 O ATOM 16806 C3* A 0 838 166.327 33.160 54.650 1.00737.35 C ATOM 16807 O3* A 0 838 165.242 32.255 54.834 1.00737.35 O ATOM 16808 C2* A 0 838 167.460 32.909 55.641 1.00737.35 C ATOM 16809 O2* A 0 838 167.680 31.535 55.893 1.00737.35 O ATOM 16810 C1* A 0 838 168.655 33.495 54.887 1.00737.35 C ATOM 16811 N9 A 0 838 168.948 34.884 55.257 1.00737.35 N ATOM 16812 C8 A 0 838 168.493 36.035 54.661 1.00737.35 C ATOM 16813 N7 A 0 838 168.931 37.134 55.226 1.00737.35 N ATOM 16814 C5 A 0 838 169.732 36.677 56.263 1.00737.35 C ATOM 16815 C6 A 0 838 170.487 37.348 57.241 1.00737.35 C ATOM 16816 N6 A 0 838 170.560 38.678 57.336 1.00737.35 N ATOM 16817 N1 A 0 838 171.171 36.599 58.131 1.00737.35 N ATOM 16818 C2 A 0 838 171.095 35.265 58.036 1.00737.35 C ATOM 16819 N3 A 0 838 170.421 34.519 57.165 1.00737.35 N ATOM 16820 C4 A 0 838 169.751 35.293 56.295 1.00737.35 C ATOM 16821 P U 0 839 164.040 32.641 55.831 1.00737.35 P ATOM 16822 O1P U 0 839 162.924 31.706 55.549 1.00737.35 O ATOM 16823 O2P U 0 839 163.805 34.107 55.746 1.00737.35 O ATOM 16824 O5* U 0 839 164.621 32.316 57.278 1.00737.35 O ATOM 16825 C5* U 0 839 165.001 30.987 57.635 1.00737.35 C ATOM 16826 C4* U 0 839 165.843 31.000 58.889 1.00737.35 C ATOM 16827 O4* U 0 839 167.063 31.743 58.636 1.00737.35 O ATOM 16828 C3* U 0 839 165.227 31.690 60.097 1.00737.35 C ATOM 16829 O3* U 0 839 164.376 30.802 60.816 1.00737.35 O ATOM 16830 C2* U 0 839 166.457 32.074 60.911 1.00737.35 C ATOM 16831 O2* U 0 839 166.979 31.002 61.673 1.00737.35 O ATOM 16832 C1* U 0 839 167.448 32.452 59.803 1.00737.35 C ATOM 16833 N1 U 0 839 167.464 33.891 59.494 1.00737.35 N ATOM 16834 C2 U 0 839 168.434 34.673 60.108 1.00737.35 C ATOM 16835 O2 U 0 839 169.268 34.221 60.877 1.00737.35 O ATOM 16836 N3 U 0 839 168.389 36.008 59.784 1.00737.35 N ATOM 16837 C4 U 0 839 167.501 36.631 58.934 1.00737.35 C ATOM 16838 O4 U 0 839 167.590 37.844 58.746 1.00737.35 O ATOM 16839 C5 U 0 839 166.534 35.759 58.338 1.00737.35 C ATOM 16840 C6 U 0 839 166.548 34.455 58.631 1.00737.35 C ATOM 16841 P U 0 840 162.964 31.327 61.383 1.00737.35 P ATOM 16842 O1P U 0 840 162.248 30.149 61.937 1.00737.35 O ATOM 16843 O2P U 0 840 162.311 32.156 60.337 1.00737.35 O ATOM 16844 O5* U 0 840 163.357 32.289 62.591 1.00737.35 O ATOM 16845 C5* U 0 840 163.882 31.767 63.810 1.00737.35 C ATOM 16846 C4* U 0 840 163.074 32.270 64.985 1.00737.35 C ATOM 16847 O4* U 0 840 161.687 31.892 64.802 1.00737.35 O ATOM 16848 C3* U 0 840 163.458 31.680 66.333 1.00737.35 C ATOM 16849 O3* U 0 840 164.505 32.438 66.937 1.00737.35 O ATOM 16850 C2* U 0 840 162.170 31.830 67.134 1.00737.35 C ATOM 16851 O2* U 0 840 162.010 33.117 67.697 1.00737.35 O ATOM 16852 C1* U 0 840 161.102 31.607 66.060 1.00737.35 C ATOM 16853 N1 U 0 840 160.546 30.243 66.030 1.00737.35 N ATOM 16854 C2 U 0 840 159.470 29.965 66.864 1.00737.35 C ATOM 16855 O2 U 0 840 158.979 30.790 67.618 1.00737.35 O ATOM 16856 N3 U 0 840 158.991 28.682 66.779 1.00737.35 N ATOM 16857 C4 U 0 840 159.460 27.667 65.973 1.00737.35 C ATOM 16858 O4 U 0 840 158.908 26.567 66.001 1.00737.35 O ATOM 16859 C5 U 0 840 160.572 28.028 65.148 1.00737.35 C ATOM 16860 C6 U 0 840 161.063 29.270 65.202 1.00737.35 C ATOM 16861 P G 0 841 166.041 32.114 66.582 1.00737.35 P ATOM 16862 O1P G 0 841 166.132 30.705 66.117 1.00737.35 O ATOM 16863 O2P G 0 841 166.878 32.564 67.724 1.00737.35 O ATOM 16864 O5* G 0 841 166.342 33.066 65.341 1.00737.35 O ATOM 16865 C5* G 0 841 167.673 33.276 64.877 1.00737.35 C ATOM 16866 C4* G 0 841 167.732 34.501 63.993 1.00737.35 C ATOM 16867 O4* G 0 841 166.857 34.304 62.852 1.00737.35 O ATOM 16868 C3* G 0 841 167.246 35.799 64.624 1.00737.35 C ATOM 16869 O3* G 0 841 168.289 36.429 65.365 1.00737.35 O ATOM 16870 C2* G 0 841 166.828 36.622 63.408 1.00737.35 C ATOM 16871 O2* G 0 841 167.916 37.264 62.774 1.00737.35 O ATOM 16872 C1* G 0 841 166.266 35.537 62.484 1.00737.35 C ATOM 16873 N9 G 0 841 164.812 35.376 62.489 1.00737.35 N ATOM 16874 C8 G 0 841 164.016 35.157 61.390 1.00737.35 C ATOM 16875 N7 G 0 841 162.749 35.048 61.686 1.00737.35 N ATOM 16876 C5 G 0 841 162.701 35.205 63.063 1.00737.35 C ATOM 16877 C6 G 0 841 161.596 35.179 63.953 1.00737.35 C ATOM 16878 O6 G 0 841 160.401 35.008 63.690 1.00737.35 O ATOM 16879 N1 G 0 841 161.997 35.378 65.271 1.00737.35 N ATOM 16880 C2 G 0 841 163.289 35.577 65.682 1.00737.35 C ATOM 16881 N2 G 0 841 163.470 35.751 67.000 1.00737.35 N ATOM 16882 N3 G 0 841 164.329 35.602 64.866 1.00737.35 N ATOM 16883 C4 G 0 841 163.964 35.411 63.579 1.00737.35 C ATOM 16884 P A 0 842 167.957 37.699 66.300 1.00737.35 P ATOM 16885 O1P A 0 842 168.969 37.711 67.389 1.00737.35 O ATOM 16886 O2P A 0 842 166.512 37.682 66.646 1.00737.35 O ATOM 16887 O5* A 0 842 168.226 38.952 65.355 1.00737.35 O ATOM 16888 C5* A 0 842 169.552 39.297 64.953 1.00737.35 C ATOM 16889 C4* A 0 842 169.523 40.331 63.852 1.00737.35 C ATOM 16890 O4* A 0 842 168.853 39.777 62.688 1.00737.35 O ATOM 16891 C3* A 0 842 168.762 41.614 64.155 1.00737.35 C ATOM 16892 O3* A 0 842 169.602 42.537 64.845 1.00737.35 O ATOM 16893 C2* A 0 842 168.401 42.115 62.760 1.00737.35 C ATOM 16894 O2* A 0 842 169.456 42.809 62.126 1.00737.35 O ATOM 16895 C1* A 0 842 168.133 40.800 62.021 1.00737.35 C ATOM 16896 N9 A 0 842 166.721 40.416 61.978 1.00737.35 N ATOM 16897 C8 A 0 842 165.951 39.902 62.995 1.00737.35 C ATOM 16898 N7 A 0 842 164.713 39.647 62.642 1.00737.35 N ATOM 16899 C5 A 0 842 164.662 40.020 61.308 1.00737.35 C ATOM 16900 C6 A 0 842 163.628 39.993 60.355 1.00737.35 C ATOM 16901 N6 A 0 842 162.395 39.555 60.616 1.00737.35 N ATOM 16902 N1 A 0 842 163.905 40.437 59.111 1.00737.35 N ATOM 16903 C2 A 0 842 165.146 40.873 58.850 1.00737.35 C ATOM 16904 N3 A 0 842 166.201 40.945 59.656 1.00737.35 N ATOM 16905 C4 A 0 842 165.892 40.497 60.885 1.00737.35 C ATOM 16906 P G 0 843 168.946 43.744 65.679 1.00737.35 P ATOM 16907 O1P G 0 843 168.010 43.155 66.669 1.00737.35 O ATOM 16908 O2P G 0 843 168.450 44.762 64.717 1.00737.35 O ATOM 16909 O5* G 0 843 170.174 44.370 66.479 1.00737.35 O ATOM 16910 C5* G 0 843 171.414 44.650 65.825 1.00737.35 C ATOM 16911 C4* G 0 843 172.573 44.286 66.726 1.00737.35 C ATOM 16912 O4* G 0 843 172.548 45.131 67.907 1.00737.35 O ATOM 16913 C3* G 0 843 172.558 42.862 67.260 1.00737.35 C ATOM 16914 O3* G 0 843 173.015 41.889 66.307 1.00737.35 O ATOM 16915 C2* G 0 843 173.296 42.969 68.593 1.00737.35 C ATOM 16916 O2* G 0 843 174.703 42.881 68.539 1.00737.35 O ATOM 16917 C1* G 0 843 172.876 44.365 69.059 1.00737.35 C ATOM 16918 N9 G 0 843 171.720 44.371 69.954 1.00737.35 N ATOM 16919 C8 G 0 843 170.395 44.288 69.596 1.00737.35 C ATOM 16920 N7 G 0 843 169.584 44.323 70.619 1.00737.35 N ATOM 16921 C5 G 0 843 170.423 44.434 71.719 1.00737.35 C ATOM 16922 C6 G 0 843 170.117 44.517 73.102 1.00737.35 C ATOM 16923 O6 G 0 843 169.007 44.509 73.647 1.00737.35 O ATOM 16924 N1 G 0 843 171.271 44.618 73.875 1.00737.35 N ATOM 16925 C2 G 0 843 172.551 44.640 73.384 1.00737.35 C ATOM 16926 N2 G 0 843 173.531 44.742 74.292 1.00737.35 N ATOM 16927 N3 G 0 843 172.851 44.562 72.098 1.00737.35 N ATOM 16928 C4 G 0 843 171.745 44.464 71.327 1.00737.35 C ATOM 16929 P G 0 844 174.492 41.988 65.657 1.00737.35 P ATOM 16930 O1P G 0 844 175.293 43.052 66.315 1.00737.35 O ATOM 16931 O2P G 0 844 174.293 42.043 64.186 1.00737.35 O ATOM 16932 O5* G 0 844 175.154 40.574 65.981 1.00737.35 O ATOM 16933 C5* G 0 844 175.485 40.199 67.317 1.00737.35 C ATOM 16934 C4* G 0 844 175.274 38.714 67.507 1.00737.35 C ATOM 16935 O4* G 0 844 173.864 38.411 67.332 1.00737.35 O ATOM 16936 C3* G 0 844 175.983 37.810 66.508 1.00737.35 C ATOM 16937 O3* G 0 844 177.320 37.533 66.914 1.00737.35 O ATOM 16938 C2* G 0 844 175.117 36.555 66.534 1.00737.35 C ATOM 16939 O2* G 0 844 175.400 35.705 67.629 1.00737.35 O ATOM 16940 C1* G 0 844 173.719 37.156 66.687 1.00737.35 C ATOM 16941 N9 G 0 844 173.036 37.366 65.412 1.00737.35 N ATOM 16942 C8 G 0 844 173.027 38.511 64.652 1.00737.35 C ATOM 16943 N7 G 0 844 172.327 38.393 63.555 1.00737.35 N ATOM 16944 C5 G 0 844 171.845 37.090 63.595 1.00737.35 C ATOM 16945 C6 G 0 844 171.024 36.388 62.676 1.00737.35 C ATOM 16946 O6 G 0 844 170.543 36.787 61.609 1.00737.35 O ATOM 16947 N1 G 0 844 170.776 35.088 63.104 1.00737.35 N ATOM 16948 C2 G 0 844 171.255 34.533 64.264 1.00737.35 C ATOM 16949 N2 G 0 844 170.906 33.260 64.501 1.00737.35 N ATOM 16950 N3 G 0 844 172.020 35.177 65.130 1.00737.35 N ATOM 16951 C4 G 0 844 172.273 36.443 64.734 1.00737.35 C ATOM 16952 P U 0 845 178.446 37.237 65.804 1.00737.35 P ATOM 16953 O1P U 0 845 179.706 36.928 66.522 1.00737.35 O ATOM 16954 O2P U 0 845 178.420 38.342 64.813 1.00737.35 O ATOM 16955 O5* U 0 845 177.941 35.909 65.081 1.00737.35 O ATOM 16956 C5* U 0 845 177.954 34.652 65.759 1.00737.35 C ATOM 16957 C4* U 0 845 177.272 33.592 64.922 1.00737.35 C ATOM 16958 O4* U 0 845 175.883 33.964 64.716 1.00737.35 O ATOM 16959 C3* U 0 845 177.818 33.392 63.515 1.00737.35 C ATOM 16960 O3* U 0 845 178.945 32.519 63.518 1.00737.35 O ATOM 16961 C2* U 0 845 176.625 32.778 62.793 1.00737.35 C ATOM 16962 O2* U 0 845 176.478 31.391 63.036 1.00737.35 O ATOM 16963 C1* U 0 845 175.459 33.541 63.428 1.00737.35 C ATOM 16964 N1 U 0 845 175.043 34.722 62.652 1.00737.35 N ATOM 16965 C2 U 0 845 174.109 34.536 61.643 1.00737.35 C ATOM 16966 O2 U 0 845 173.619 33.449 61.375 1.00737.35 O ATOM 16967 N3 U 0 845 173.768 35.674 60.953 1.00737.35 N ATOM 16968 C4 U 0 845 174.253 36.949 61.161 1.00737.35 C ATOM 16969 O4 U 0 845 173.847 37.873 60.453 1.00737.35 O ATOM 16970 C5 U 0 845 175.209 37.061 62.218 1.00737.35 C ATOM 16971 C6 U 0 845 175.562 35.974 62.910 1.00737.35 C ATOM 16972 P A 0 846 179.970 32.535 62.278 1.00737.35 P ATOM 16973 O1P A 0 846 181.183 31.787 62.704 1.00737.35 O ATOM 16974 O2P A 0 846 180.107 33.931 61.792 1.00737.35 O ATOM 16975 O5* A 0 846 179.228 31.693 61.148 1.00737.35 O ATOM 16976 C5* A 0 846 179.223 30.267 61.179 1.00737.35 C ATOM 16977 C4* A 0 846 178.564 29.711 59.937 1.00737.35 C ATOM 16978 O4* A 0 846 177.160 30.082 59.924 1.00737.35 O ATOM 16979 C3* A 0 846 179.096 30.230 58.608 1.00737.35 C ATOM 16980 O3* A 0 846 180.261 29.518 58.203 1.00737.35 O ATOM 16981 C2* A 0 846 177.921 29.973 57.673 1.00737.35 C ATOM 16982 O2* A 0 846 177.847 28.634 57.224 1.00737.35 O ATOM 16983 C1* A 0 846 176.731 30.279 58.585 1.00737.35 C ATOM 16984 N9 A 0 846 176.236 31.652 58.449 1.00737.35 N ATOM 16985 C8 A 0 846 176.545 32.748 59.222 1.00737.35 C ATOM 16986 N7 A 0 846 175.944 33.848 58.842 1.00737.35 N ATOM 16987 C5 A 0 846 175.187 33.453 57.747 1.00737.35 C ATOM 16988 C6 A 0 846 174.321 34.158 56.892 1.00737.35 C ATOM 16989 N6 A 0 846 174.065 35.462 57.010 1.00737.35 N ATOM 16990 N1 A 0 846 173.723 33.469 55.896 1.00737.35 N ATOM 16991 C2 A 0 846 173.983 32.162 55.777 1.00737.35 C ATOM 16992 N3 A 0 846 174.778 31.388 56.515 1.00737.35 N ATOM 16993 C4 A 0 846 175.358 32.104 57.494 1.00737.35 C ATOM 16994 P C 0 847 181.322 30.219 57.218 1.00737.35 P ATOM 16995 O1P C 0 847 182.441 29.261 57.022 1.00737.35 O ATOM 16996 O2P C 0 847 181.607 31.585 57.728 1.00737.35 O ATOM 16997 O5* C 0 847 180.533 30.358 55.838 1.00737.35 O ATOM 16998 C5* C 0 847 180.165 29.203 55.087 1.00737.35 C ATOM 16999 C4* C 0 847 179.351 29.598 53.875 1.00737.35 C ATOM 17000 O4* C 0 847 178.108 30.212 54.306 1.00737.35 O ATOM 17001 C3* C 0 847 179.978 30.635 52.958 1.00737.35 C ATOM 17002 O3* C 0 847 180.888 30.030 52.044 1.00737.35 O ATOM 17003 C2* C 0 847 178.760 31.212 52.245 1.00737.35 C ATOM 17004 O2* C 0 847 178.310 30.408 51.175 1.00737.35 O ATOM 17005 C1* C 0 847 177.720 31.206 53.370 1.00737.35 C ATOM 17006 N1 C 0 847 177.606 32.506 54.069 1.00737.35 N ATOM 17007 C2 C 0 847 176.749 33.485 53.541 1.00737.35 C ATOM 17008 O2 C 0 847 176.108 33.237 52.507 1.00737.35 O ATOM 17009 N3 C 0 847 176.643 34.678 54.171 1.00737.35 N ATOM 17010 C4 C 0 847 177.346 34.913 55.279 1.00737.35 C ATOM 17011 N4 C 0 847 177.212 36.106 55.863 1.00737.35 N ATOM 17012 C5 C 0 847 178.221 33.935 55.839 1.00737.35 C ATOM 17013 C6 C 0 847 178.321 32.757 55.208 1.00737.35 C ATOM 17014 P A 0 848 182.112 30.888 51.452 1.00737.35 P ATOM 17015 O1P A 0 848 182.869 29.999 50.532 1.00737.35 O ATOM 17016 O2P A 0 848 182.817 31.546 52.580 1.00737.35 O ATOM 17017 O5* A 0 848 181.403 32.021 50.581 1.00737.35 O ATOM 17018 C5* A 0 848 180.697 31.692 49.384 1.00737.35 C ATOM 17019 C4* A 0 848 179.978 32.910 48.847 1.00737.35 C ATOM 17020 O4* A 0 848 178.964 33.331 49.799 1.00737.35 O ATOM 17021 C3* A 0 848 180.833 34.148 48.638 1.00737.35 C ATOM 17022 O3* A 0 848 181.504 34.108 47.384 1.00737.35 O ATOM 17023 C2* A 0 848 179.801 35.268 48.699 1.00737.35 C ATOM 17024 O2* A 0 848 179.094 35.439 47.486 1.00737.35 O ATOM 17025 C1* A 0 848 178.854 34.747 49.784 1.00737.35 C ATOM 17026 N9 A 0 848 179.172 35.253 51.121 1.00737.35 N ATOM 17027 C8 A 0 848 179.828 34.606 52.141 1.00737.35 C ATOM 17028 N7 A 0 848 179.964 35.329 53.226 1.00737.35 N ATOM 17029 C5 A 0 848 179.358 36.534 52.901 1.00737.35 C ATOM 17030 C6 A 0 848 179.166 37.721 53.630 1.00737.35 C ATOM 17031 N6 A 0 848 179.588 37.896 54.883 1.00737.35 N ATOM 17032 N1 A 0 848 178.522 38.736 53.016 1.00737.35 N ATOM 17033 C2 A 0 848 178.101 38.561 51.756 1.00737.35 C ATOM 17034 N3 A 0 848 178.217 37.492 50.970 1.00737.35 N ATOM 17035 C4 A 0 848 178.863 36.502 51.610 1.00737.35 C ATOM 17036 P G 0 849 182.846 34.970 47.168 1.00737.35 P ATOM 17037 O1P G 0 849 183.381 34.620 45.828 1.00737.35 O ATOM 17038 O2P G 0 849 183.709 34.805 48.367 1.00737.35 O ATOM 17039 O5* G 0 849 182.330 36.477 47.130 1.00737.35 O ATOM 17040 C5* G 0 849 181.685 37.003 45.972 1.00737.35 C ATOM 17041 C4* G 0 849 181.474 38.493 46.116 1.00737.35 C ATOM 17042 O4* G 0 849 180.499 38.752 47.159 1.00737.35 O ATOM 17043 C3* G 0 849 182.692 39.297 46.537 1.00737.35 C ATOM 17044 O3* G 0 849 183.525 39.599 45.423 1.00737.35 O ATOM 17045 C2* G 0 849 182.061 40.548 47.135 1.00737.35 C ATOM 17046 O2* G 0 849 181.672 41.495 46.162 1.00737.35 O ATOM 17047 C1* G 0 849 180.821 39.965 47.819 1.00737.35 C ATOM 17048 N9 G 0 849 181.018 39.686 49.241 1.00737.35 N ATOM 17049 C8 G 0 849 181.285 38.468 49.822 1.00737.35 C ATOM 17050 N7 G 0 849 181.410 38.535 51.120 1.00737.35 N ATOM 17051 C5 G 0 849 181.214 39.877 51.415 1.00737.35 C ATOM 17052 C6 G 0 849 181.230 40.554 52.663 1.00737.35 C ATOM 17053 O6 G 0 849 181.430 40.089 53.791 1.00737.35 O ATOM 17054 N1 G 0 849 180.984 41.914 52.509 1.00737.35 N ATOM 17055 C2 G 0 849 180.750 42.544 51.312 1.00737.35 C ATOM 17056 N2 G 0 849 180.532 43.866 51.370 1.00737.35 N ATOM 17057 N3 G 0 849 180.731 41.925 50.142 1.00737.35 N ATOM 17058 C4 G 0 849 180.969 40.601 50.268 1.00737.35 C ATOM 17059 P C 0 850 185.123 39.559 45.591 1.00737.35 P ATOM 17060 O1P C 0 850 185.714 40.024 44.308 1.00737.35 O ATOM 17061 O2P C 0 850 185.505 38.231 46.132 1.00737.35 O ATOM 17062 O5* C 0 850 185.419 40.656 46.707 1.00737.35 O ATOM 17063 C5* C 0 850 185.299 42.048 46.420 1.00737.35 C ATOM 17064 C4* C 0 850 185.578 42.869 47.659 1.00737.35 C ATOM 17065 O4* C 0 850 184.540 42.634 48.645 1.00737.35 O ATOM 17066 C3* C 0 850 186.866 42.543 48.396 1.00737.35 C ATOM 17067 O3* C 0 850 187.988 43.183 47.800 1.00737.35 O ATOM 17068 C2* C 0 850 186.577 43.076 49.794 1.00737.35 C ATOM 17069 O2* C 0 850 186.753 44.475 49.905 1.00737.35 O ATOM 17070 C1* C 0 850 185.095 42.726 49.950 1.00737.35 C ATOM 17071 N1 C 0 850 184.871 41.447 50.656 1.00737.35 N ATOM 17072 C2 C 0 850 184.740 41.460 52.055 1.00737.35 C ATOM 17073 O2 C 0 850 184.806 42.543 52.660 1.00737.35 O ATOM 17074 N3 C 0 850 184.545 40.292 52.711 1.00737.35 N ATOM 17075 C4 C 0 850 184.478 39.147 52.031 1.00737.35 C ATOM 17076 N4 C 0 850 184.287 38.021 52.722 1.00737.35 N ATOM 17077 C5 C 0 850 184.606 39.104 50.610 1.00737.35 C ATOM 17078 C6 C 0 850 184.798 40.265 49.971 1.00737.35 C ATOM 17079 P C 0 851 189.421 42.457 47.822 1.00737.35 P ATOM 17080 O1P C 0 851 190.397 43.387 47.195 1.00737.35 O ATOM 17081 O2P C 0 851 189.261 41.085 47.275 1.00737.35 O ATOM 17082 O5* C 0 851 189.769 42.339 49.373 1.00737.35 O ATOM 17083 C5* C 0 851 189.987 43.506 50.163 1.00737.35 C ATOM 17084 C4* C 0 851 190.768 43.164 51.411 1.00737.35 C ATOM 17085 O4* C 0 851 189.955 42.352 52.298 1.00737.35 O ATOM 17086 C3* C 0 851 192.022 42.332 51.206 1.00737.35 C ATOM 17087 O3* C 0 851 193.122 43.135 50.790 1.00737.35 O ATOM 17088 C2* C 0 851 192.236 41.731 52.590 1.00737.35 C ATOM 17089 O2* C 0 851 192.855 42.626 53.496 1.00737.35 O ATOM 17090 C1* C 0 851 190.793 41.464 53.030 1.00737.35 C ATOM 17091 N1 C 0 851 190.357 40.075 52.786 1.00737.35 N ATOM 17092 C2 C 0 851 190.690 39.084 53.728 1.00737.35 C ATOM 17093 O2 C 0 851 191.333 39.403 54.742 1.00737.35 O ATOM 17094 N3 C 0 851 190.300 37.807 53.508 1.00737.35 N ATOM 17095 C4 C 0 851 189.610 37.501 52.407 1.00737.35 C ATOM 17096 N4 C 0 851 189.252 36.224 52.234 1.00737.35 N ATOM 17097 C5 C 0 851 189.256 38.482 51.438 1.00737.35 C ATOM 17098 C6 C 0 851 189.646 39.743 51.664 1.00737.35 C ATOM 17099 P U 0 852 194.335 42.464 49.976 1.00737.35 P ATOM 17100 O1P U 0 852 195.219 43.559 49.510 1.00737.35 O ATOM 17101 O2P U 0 852 193.769 41.512 48.985 1.00737.35 O ATOM 17102 O5* U 0 852 195.113 41.624 51.081 1.00737.35 O ATOM 17103 C5* U 0 852 195.668 42.261 52.231 1.00737.35 C ATOM 17104 C4* U 0 852 196.305 41.241 53.143 1.00737.35 C ATOM 17105 O4* U 0 852 195.284 40.353 53.667 1.00737.35 O ATOM 17106 C3* U 0 852 197.317 40.313 52.484 1.00737.35 C ATOM 17107 O3* U 0 852 198.601 40.923 52.426 1.00737.35 O ATOM 17108 C2* U 0 852 197.290 39.100 53.409 1.00737.35 C ATOM 17109 O2* U 0 852 198.077 39.270 54.572 1.00737.35 O ATOM 17110 C1* U 0 852 195.807 39.040 53.790 1.00737.35 C ATOM 17111 N1 U 0 852 195.012 38.134 52.939 1.00737.35 N ATOM 17112 C2 U 0 852 194.920 36.803 53.321 1.00737.35 C ATOM 17113 O2 U 0 852 195.464 36.352 54.315 1.00737.35 O ATOM 17114 N3 U 0 852 194.164 36.016 52.486 1.00737.35 N ATOM 17115 C4 U 0 852 193.506 36.409 51.339 1.00737.35 C ATOM 17116 O4 U 0 852 192.861 35.580 50.697 1.00737.35 O ATOM 17117 C5 U 0 852 193.649 37.793 51.013 1.00737.35 C ATOM 17118 C6 U 0 852 194.380 38.589 51.802 1.00737.35 C ATOM 17119 P C 0 853 199.613 40.539 51.238 1.00737.35 P ATOM 17120 O1P C 0 853 200.765 41.474 51.323 1.00737.35 O ATOM 17121 O2P C 0 853 198.844 40.438 49.971 1.00737.35 O ATOM 17122 O5* C 0 853 200.122 39.080 51.629 1.00737.35 O ATOM 17123 C5* C 0 853 200.970 38.879 52.758 1.00737.35 C ATOM 17124 C4* C 0 853 201.197 37.402 52.989 1.00737.35 C ATOM 17125 O4* C 0 853 199.938 36.770 53.339 1.00737.35 O ATOM 17126 C3* C 0 853 201.689 36.610 51.789 1.00737.35 C ATOM 17127 O3* C 0 853 203.102 36.718 51.647 1.00737.35 O ATOM 17128 C2* C 0 853 201.252 35.192 52.136 1.00737.35 C ATOM 17129 O2* C 0 853 202.131 34.544 53.036 1.00737.35 O ATOM 17130 C1* C 0 853 199.906 35.448 52.818 1.00737.35 C ATOM 17131 N1 C 0 853 198.750 35.326 51.905 1.00737.35 N ATOM 17132 C2 C 0 853 198.143 34.069 51.747 1.00737.35 C ATOM 17133 O2 C 0 853 198.586 33.097 52.381 1.00737.35 O ATOM 17134 N3 C 0 853 197.089 33.945 50.908 1.00737.35 N ATOM 17135 C4 C 0 853 196.636 35.011 50.242 1.00737.35 C ATOM 17136 N4 C 0 853 195.595 34.840 49.426 1.00737.35 N ATOM 17137 C5 C 0 853 197.231 36.298 50.385 1.00737.35 C ATOM 17138 C6 C 0 853 198.275 36.410 51.218 1.00737.35 C ATOM 17139 P G 0 854 203.768 36.612 50.187 1.00737.35 P ATOM 17140 O1P G 0 854 205.209 36.940 50.338 1.00737.35 O ATOM 17141 O2P G 0 854 202.938 37.388 49.229 1.00737.35 O ATOM 17142 O5* G 0 854 203.640 35.067 49.819 1.00737.35 O ATOM 17143 C5* G 0 854 204.448 34.090 50.474 1.00737.35 C ATOM 17144 C4* G 0 854 204.065 32.700 50.022 1.00737.35 C ATOM 17145 O4* G 0 854 202.708 32.407 50.444 1.00737.35 O ATOM 17146 C3* G 0 854 204.045 32.463 48.522 1.00737.35 C ATOM 17147 O3* G 0 854 205.353 32.180 48.027 1.00737.35 O ATOM 17148 C2* G 0 854 203.116 31.262 48.397 1.00737.35 C ATOM 17149 O2* G 0 854 203.757 30.031 48.667 1.00737.35 O ATOM 17150 C1* G 0 854 202.087 31.559 49.489 1.00737.35 C ATOM 17151 N9 G 0 854 200.883 32.220 48.987 1.00737.35 N ATOM 17152 C8 G 0 854 200.624 33.571 48.950 1.00737.35 C ATOM 17153 N7 G 0 854 199.457 33.854 48.438 1.00737.35 N ATOM 17154 C5 G 0 854 198.911 32.619 48.118 1.00737.35 C ATOM 17155 C6 G 0 854 197.660 32.289 47.529 1.00737.35 C ATOM 17156 O6 G 0 854 196.754 33.048 47.163 1.00737.35 O ATOM 17157 N1 G 0 854 197.513 30.914 47.381 1.00737.35 N ATOM 17158 C2 G 0 854 198.445 29.975 47.751 1.00737.35 C ATOM 17159 N2 G 0 854 198.117 28.695 47.526 1.00737.35 N ATOM 17160 N3 G 0 854 199.613 30.268 48.297 1.00737.35 N ATOM 17161 C4 G 0 854 199.778 31.599 48.451 1.00737.35 C ATOM 17162 P G 0 855 205.694 32.450 46.477 1.00737.35 P ATOM 17163 O1P G 0 855 207.153 32.232 46.307 1.00737.35 O ATOM 17164 O2P G 0 855 205.097 33.751 46.080 1.00737.35 O ATOM 17165 O5* G 0 855 204.922 31.289 45.704 1.00737.35 O ATOM 17166 C5* G 0 855 205.327 29.928 45.831 1.00737.35 C ATOM 17167 C4* G 0 855 204.360 29.018 45.107 1.00737.35 C ATOM 17168 O4* G 0 855 203.053 29.107 45.734 1.00737.35 O ATOM 17169 C3* G 0 855 204.095 29.349 43.645 1.00737.35 C ATOM 17170 O3* G 0 855 205.104 28.798 42.803 1.00737.35 O ATOM 17171 C2* G 0 855 202.738 28.695 43.411 1.00737.35 C ATOM 17172 O2* G 0 855 202.824 27.304 43.174 1.00737.35 O ATOM 17173 C1* G 0 855 202.042 28.950 44.750 1.00737.35 C ATOM 17174 N9 G 0 855 201.204 30.147 44.747 1.00737.35 N ATOM 17175 C8 G 0 855 201.555 31.413 45.155 1.00737.35 C ATOM 17176 N7 G 0 855 200.587 32.280 45.029 1.00737.35 N ATOM 17177 C5 G 0 855 199.532 31.544 44.508 1.00737.35 C ATOM 17178 C6 G 0 855 198.215 31.943 44.159 1.00737.35 C ATOM 17179 O6 G 0 855 197.702 33.068 44.244 1.00737.35 O ATOM 17180 N1 G 0 855 197.470 30.877 43.666 1.00737.35 N ATOM 17181 C2 G 0 855 197.929 29.590 43.528 1.00737.35 C ATOM 17182 N2 G 0 855 197.056 28.700 43.033 1.00737.35 N ATOM 17183 N3 G 0 855 199.153 29.204 43.849 1.00737.35 N ATOM 17184 C4 G 0 855 199.895 30.225 44.330 1.00737.35 C ATOM 17185 P A 0 856 205.396 29.463 41.368 1.00737.35 P ATOM 17186 O1P A 0 856 206.558 28.747 40.781 1.00737.35 O ATOM 17187 O2P A 0 856 205.451 30.938 41.532 1.00737.35 O ATOM 17188 O5* A 0 856 204.103 29.105 40.505 1.00737.35 O ATOM 17189 C5* A 0 856 203.813 27.755 40.145 1.00737.35 C ATOM 17190 C4* A 0 856 202.492 27.677 39.413 1.00737.35 C ATOM 17191 O4* A 0 856 201.425 28.104 40.298 1.00737.35 O ATOM 17192 C3* A 0 856 202.349 28.576 38.194 1.00737.35 C ATOM 17193 O3* A 0 856 202.911 27.960 37.038 1.00737.35 O ATOM 17194 C2* A 0 856 200.838 28.726 38.077 1.00737.35 C ATOM 17195 O2* A 0 856 200.218 27.626 37.437 1.00737.35 O ATOM 17196 C1* A 0 856 200.420 28.771 39.549 1.00737.35 C ATOM 17197 N9 A 0 856 200.271 30.129 40.075 1.00737.35 N ATOM 17198 C8 A 0 856 201.207 30.895 40.729 1.00737.35 C ATOM 17199 N7 A 0 856 200.770 32.080 41.079 1.00737.35 N ATOM 17200 C5 A 0 856 199.458 32.099 40.627 1.00737.35 C ATOM 17201 C6 A 0 856 198.452 33.077 40.688 1.00737.35 C ATOM 17202 N6 A 0 856 198.617 34.275 41.257 1.00737.35 N ATOM 17203 N1 A 0 856 197.252 32.783 40.139 1.00737.35 N ATOM 17204 C2 A 0 856 197.088 31.582 39.570 1.00737.35 C ATOM 17205 N3 A 0 856 197.956 30.580 39.452 1.00737.35 N ATOM 17206 C4 A 0 856 199.136 30.906 40.006 1.00737.35 C ATOM 17207 P U 0 857 203.554 28.873 35.877 1.00737.35 P ATOM 17208 O1P U 0 857 204.081 27.972 34.820 1.00737.35 O ATOM 17209 O2P U 0 857 204.464 29.852 36.525 1.00737.35 O ATOM 17210 O5* U 0 857 202.311 29.674 35.281 1.00737.35 O ATOM 17211 C5* U 0 857 201.255 28.995 34.601 1.00737.35 C ATOM 17212 C4* U 0 857 200.063 29.913 34.436 1.00737.35 C ATOM 17213 O4* U 0 857 199.583 30.307 35.748 1.00737.35 O ATOM 17214 C3* U 0 857 200.331 31.228 33.720 1.00737.35 C ATOM 17215 O3* U 0 857 200.239 31.068 32.307 1.00737.35 O ATOM 17216 C2* U 0 857 199.213 32.115 34.251 1.00737.35 C ATOM 17217 O2* U 0 857 197.978 31.910 33.593 1.00737.35 O ATOM 17218 C1* U 0 857 199.111 31.644 35.703 1.00737.35 C ATOM 17219 N1 U 0 857 199.900 32.457 36.643 1.00737.35 N ATOM 17220 C2 U 0 857 199.290 33.568 37.210 1.00737.35 C ATOM 17221 O2 U 0 857 198.137 33.894 36.969 1.00737.35 O ATOM 17222 N3 U 0 857 200.080 34.287 38.075 1.00737.35 N ATOM 17223 C4 U 0 857 201.387 34.019 38.423 1.00737.35 C ATOM 17224 O4 U 0 857 201.967 34.763 39.215 1.00737.35 O ATOM 17225 C5 U 0 857 201.947 32.860 37.799 1.00737.35 C ATOM 17226 C6 U 0 857 201.205 32.135 36.954 1.00737.35 C ATOM 17227 P G 0 858 201.366 31.708 31.352 1.00737.35 P ATOM 17228 O1P G 0 858 200.862 31.676 29.954 1.00737.35 O ATOM 17229 O2P G 0 858 202.654 31.045 31.681 1.00737.35 O ATOM 17230 O5* G 0 858 201.464 33.231 31.815 1.00737.35 O ATOM 17231 C5* G 0 858 200.313 34.071 31.839 1.00737.35 C ATOM 17232 C4* G 0 858 200.653 35.406 32.461 1.00737.35 C ATOM 17233 O4* G 0 858 201.169 35.183 33.799 1.00737.35 O ATOM 17234 C3* G 0 858 201.744 36.200 31.757 1.00737.35 C ATOM 17235 O3* G 0 858 201.176 36.995 30.720 1.00737.35 O ATOM 17236 C2* G 0 858 202.286 37.074 32.884 1.00737.35 C ATOM 17237 O2* G 0 858 201.501 38.227 33.122 1.00737.35 O ATOM 17238 C1* G 0 858 202.185 36.129 34.084 1.00737.35 C ATOM 17239 N9 G 0 858 203.422 35.407 34.374 1.00737.35 N ATOM 17240 C8 G 0 858 203.954 34.349 33.672 1.00737.35 C ATOM 17241 N7 G 0 858 205.074 33.911 34.179 1.00737.35 N ATOM 17242 C5 G 0 858 205.295 34.724 35.280 1.00737.35 C ATOM 17243 C6 G 0 858 206.357 34.727 36.225 1.00737.35 C ATOM 17244 O6 G 0 858 207.344 33.983 36.276 1.00737.35 O ATOM 17245 N1 G 0 858 206.189 35.722 37.181 1.00737.35 N ATOM 17246 C2 G 0 858 205.138 36.605 37.227 1.00737.35 C ATOM 17247 N2 G 0 858 205.156 37.492 38.233 1.00737.35 N ATOM 17248 N3 G 0 858 204.145 36.615 36.355 1.00737.35 N ATOM 17249 C4 G 0 858 204.286 35.655 35.416 1.00737.35 C ATOM 17250 P U 0 859 201.553 36.700 29.181 1.00737.35 P ATOM 17251 O1P U 0 859 201.960 35.279 29.040 1.00737.35 O ATOM 17252 O2P U 0 859 202.479 37.775 28.742 1.00737.35 O ATOM 17253 O5* U 0 859 200.167 36.901 28.421 1.00737.35 O ATOM 17254 C5* U 0 859 199.008 36.180 28.832 1.00737.35 C ATOM 17255 C4* U 0 859 197.977 37.127 29.406 1.00737.35 C ATOM 17256 O4* U 0 859 198.617 37.987 30.385 1.00737.35 O ATOM 17257 C3* U 0 859 197.313 38.084 28.429 1.00737.35 C ATOM 17258 O3* U 0 859 196.212 37.419 27.798 1.00737.35 O ATOM 17259 C2* U 0 859 196.881 39.235 29.337 1.00737.35 C ATOM 17260 O2* U 0 859 195.654 39.007 29.999 1.00737.35 O ATOM 17261 C1* U 0 859 198.020 39.273 30.357 1.00737.35 C ATOM 17262 N1 U 0 859 199.058 40.273 30.054 1.00737.35 N ATOM 17263 C2 U 0 859 198.890 41.555 30.558 1.00737.35 C ATOM 17264 O2 U 0 859 197.926 41.887 31.234 1.00737.35 O ATOM 17265 N3 U 0 859 199.891 42.439 30.243 1.00737.35 N ATOM 17266 C4 U 0 859 201.021 42.183 29.491 1.00737.35 C ATOM 17267 O4 U 0 859 201.835 43.086 29.295 1.00737.35 O ATOM 17268 C5 U 0 859 201.123 40.842 29.005 1.00737.35 C ATOM 17269 C6 U 0 859 200.166 39.956 29.296 1.00737.35 C ATOM 17270 P U 0 860 195.120 38.260 26.963 1.00737.35 P ATOM 17271 O1P U 0 860 194.669 37.406 25.833 1.00737.35 O ATOM 17272 O2P U 0 860 195.670 39.612 26.682 1.00737.35 O ATOM 17273 O5* U 0 860 193.914 38.426 27.995 1.00737.35 O ATOM 17274 C5* U 0 860 192.703 37.680 27.848 1.00737.35 C ATOM 17275 C4* U 0 860 191.989 37.555 29.179 1.00737.35 C ATOM 17276 O4* U 0 860 192.729 36.673 30.062 1.00737.35 O ATOM 17277 C3* U 0 860 191.818 38.844 29.967 1.00737.35 C ATOM 17278 O3* U 0 860 190.646 39.533 29.536 1.00737.35 O ATOM 17279 C2* U 0 860 191.663 38.340 31.399 1.00737.35 C ATOM 17280 O2* U 0 860 190.337 37.953 31.709 1.00737.35 O ATOM 17281 C1* U 0 860 192.563 37.098 31.406 1.00737.35 C ATOM 17282 N1 U 0 860 193.895 37.221 32.035 1.00737.35 N ATOM 17283 C2 U 0 860 194.028 37.946 33.224 1.00737.35 C ATOM 17284 O2 U 0 860 193.096 38.504 33.780 1.00737.35 O ATOM 17285 N3 U 0 860 195.302 37.985 33.738 1.00737.35 N ATOM 17286 C4 U 0 860 196.430 37.387 33.211 1.00737.35 C ATOM 17287 O4 U 0 860 197.503 37.488 33.803 1.00737.35 O ATOM 17288 C5 U 0 860 196.213 36.669 31.997 1.00737.35 C ATOM 17289 C6 U 0 860 194.991 36.615 31.461 1.00737.35 C ATOM 17290 P G 0 861 190.643 41.139 29.439 1.00737.35 P ATOM 17291 O1P G 0 861 189.284 41.572 29.022 1.00737.35 O ATOM 17292 O2P G 0 861 191.820 41.541 28.627 1.00737.35 O ATOM 17293 O5* G 0 861 190.885 41.630 30.936 1.00737.35 O ATOM 17294 C5* G 0 861 190.157 41.070 32.028 1.00737.35 C ATOM 17295 C4* G 0 861 190.545 41.756 33.316 1.00737.35 C ATOM 17296 O4* G 0 861 191.992 41.707 33.451 1.00737.35 O ATOM 17297 C3* G 0 861 190.202 43.237 33.388 1.00737.35 C ATOM 17298 O3* G 0 861 188.872 43.409 33.875 1.00737.35 O ATOM 17299 C2* G 0 861 191.247 43.769 34.362 1.00737.35 C ATOM 17300 O2* G 0 861 190.918 43.530 35.715 1.00737.35 O ATOM 17301 C1* G 0 861 192.469 42.935 33.971 1.00737.35 C ATOM 17302 N9 G 0 861 193.313 43.559 32.955 1.00737.35 N ATOM 17303 C8 G 0 861 192.978 43.830 31.648 1.00737.35 C ATOM 17304 N7 G 0 861 193.942 44.392 30.976 1.00737.35 N ATOM 17305 C5 G 0 861 194.980 44.504 31.892 1.00737.35 C ATOM 17306 C6 G 0 861 196.288 45.039 31.737 1.00737.35 C ATOM 17307 O6 G 0 861 196.803 45.536 30.729 1.00737.35 O ATOM 17308 N1 G 0 861 197.015 44.949 32.918 1.00737.35 N ATOM 17309 C2 G 0 861 196.551 44.418 34.095 1.00737.35 C ATOM 17310 N2 G 0 861 197.409 44.420 35.124 1.00737.35 N ATOM 17311 N3 G 0 861 195.337 43.919 34.252 1.00737.35 N ATOM 17312 C4 G 0 861 194.610 43.995 33.118 1.00737.35 C ATOM 17313 P A 0 862 187.848 44.371 33.091 1.00737.35 P ATOM 17314 O1P A 0 862 186.480 44.096 33.599 1.00737.35 O ATOM 17315 O2P A 0 862 188.129 44.251 31.638 1.00737.35 O ATOM 17316 O5* A 0 862 188.268 45.840 33.551 1.00737.35 O ATOM 17317 C5* A 0 862 187.938 46.327 34.850 1.00737.35 C ATOM 17318 C4* A 0 862 188.667 47.626 35.121 1.00737.35 C ATOM 17319 O4* A 0 862 190.098 47.370 35.122 1.00737.35 O ATOM 17320 C3* A 0 862 188.473 48.715 34.076 1.00737.35 C ATOM 17321 O3* A 0 862 187.294 49.474 34.338 1.00737.35 O ATOM 17322 C2* A 0 862 189.741 49.545 34.235 1.00737.35 C ATOM 17323 O2* A 0 862 189.689 50.441 35.326 1.00737.35 O ATOM 17324 C1* A 0 862 190.778 48.454 34.511 1.00737.35 C ATOM 17325 N9 A 0 862 191.433 47.954 33.300 1.00737.35 N ATOM 17326 C8 A 0 862 190.995 46.971 32.444 1.00737.35 C ATOM 17327 N7 A 0 862 191.808 46.738 31.443 1.00737.35 N ATOM 17328 C5 A 0 862 192.853 47.627 31.651 1.00737.35 C ATOM 17329 C6 A 0 862 194.038 47.874 30.938 1.00737.35 C ATOM 17330 N6 A 0 862 194.387 47.220 29.826 1.00737.35 N ATOM 17331 N1 A 0 862 194.867 48.831 31.411 1.00737.35 N ATOM 17332 C2 A 0 862 194.520 49.485 32.527 1.00737.35 C ATOM 17333 N3 A 0 862 193.439 49.340 33.287 1.00737.35 N ATOM 17334 C4 A 0 862 192.633 48.384 32.788 1.00737.35 C ATOM 17335 P C 0 863 186.540 50.219 33.129 1.00737.35 P ATOM 17336 O1P C 0 863 185.161 50.542 33.578 1.00737.35 O ATOM 17337 O2P C 0 863 186.733 49.407 31.898 1.00737.35 O ATOM 17338 O5* C 0 863 187.346 51.581 32.947 1.00737.35 O ATOM 17339 C5* C 0 863 187.094 52.703 33.794 1.00737.35 C ATOM 17340 C4* C 0 863 187.809 53.930 33.272 1.00737.35 C ATOM 17341 O4* C 0 863 189.245 53.736 33.367 1.00737.35 O ATOM 17342 C3* C 0 863 187.572 54.267 31.808 1.00737.35 C ATOM 17343 O3* C 0 863 186.370 55.010 31.635 1.00737.35 O ATOM 17344 C2* C 0 863 188.803 55.096 31.467 1.00737.35 C ATOM 17345 O2* C 0 863 188.707 56.440 31.893 1.00737.35 O ATOM 17346 C1* C 0 863 189.886 54.372 32.272 1.00737.35 C ATOM 17347 N1 C 0 863 190.614 53.353 31.488 1.00737.35 N ATOM 17348 C2 C 0 863 191.696 53.755 30.684 1.00737.35 C ATOM 17349 O2 C 0 863 192.016 54.956 30.651 1.00737.35 O ATOM 17350 N3 C 0 863 192.361 52.822 29.963 1.00737.35 N ATOM 17351 C4 C 0 863 191.987 51.540 30.020 1.00737.35 C ATOM 17352 N4 C 0 863 192.674 50.657 29.292 1.00737.35 N ATOM 17353 C5 C 0 863 190.895 51.108 30.826 1.00737.35 C ATOM 17354 C6 C 0 863 190.244 52.036 31.535 1.00737.35 C ATOM 17355 P C 0 864 185.486 54.796 30.309 1.00737.35 P ATOM 17356 O1P C 0 864 184.397 55.806 30.309 1.00737.35 O ATOM 17357 O2P C 0 864 185.144 53.353 30.228 1.00737.35 O ATOM 17358 O5* C 0 864 186.486 55.133 29.115 1.00737.35 O ATOM 17359 C5* C 0 864 187.048 56.437 28.975 1.00737.35 C ATOM 17360 C4* C 0 864 187.803 56.548 27.669 1.00737.35 C ATOM 17361 O4* C 0 864 188.939 55.646 27.679 1.00737.35 O ATOM 17362 C3* C 0 864 187.027 56.157 26.421 1.00737.35 C ATOM 17363 O3* C 0 864 186.223 57.244 25.966 1.00737.35 O ATOM 17364 C2* C 0 864 188.145 55.819 25.441 1.00737.35 C ATOM 17365 O2* C 0 864 188.713 56.958 24.826 1.00737.35 O ATOM 17366 C1* C 0 864 189.176 55.163 26.365 1.00737.35 C ATOM 17367 N1 C 0 864 189.121 53.686 26.379 1.00737.35 N ATOM 17368 C2 C 0 864 189.812 52.966 25.386 1.00737.35 C ATOM 17369 O2 C 0 864 190.447 53.587 24.515 1.00737.35 O ATOM 17370 N3 C 0 864 189.769 51.614 25.399 1.00737.35 N ATOM 17371 C4 C 0 864 189.077 50.978 26.347 1.00737.35 C ATOM 17372 N4 C 0 864 189.070 49.643 26.320 1.00737.35 N ATOM 17373 C5 C 0 864 188.362 51.679 27.362 1.00737.35 C ATOM 17374 C6 C 0 864 188.410 53.019 27.341 1.00737.35 C ATOM 17375 P A 0 865 184.949 56.958 25.029 1.00737.35 P ATOM 17376 O1P A 0 865 184.163 58.216 24.958 1.00737.35 O ATOM 17377 O2P A 0 865 184.289 55.707 25.486 1.00737.35 O ATOM 17378 O5* A 0 865 185.589 56.688 23.595 1.00737.35 O ATOM 17379 C5* A 0 865 186.301 57.715 22.907 1.00737.35 C ATOM 17380 C4* A 0 865 187.009 57.146 21.699 1.00737.35 C ATOM 17381 O4* A 0 865 188.013 56.189 22.135 1.00737.35 O ATOM 17382 C3* A 0 865 186.141 56.363 20.732 1.00737.35 C ATOM 17383 O3* A 0 865 185.479 57.233 19.817 1.00737.35 O ATOM 17384 C2* A 0 865 187.157 55.465 20.037 1.00737.35 C ATOM 17385 O2* A 0 865 187.865 56.124 19.006 1.00737.35 O ATOM 17386 C1* A 0 865 188.106 55.135 21.190 1.00737.35 C ATOM 17387 N9 A 0 865 187.788 53.875 21.865 1.00737.35 N ATOM 17388 C8 A 0 865 187.038 53.687 23.003 1.00737.35 C ATOM 17389 N7 A 0 865 186.933 52.431 23.364 1.00737.35 N ATOM 17390 C5 A 0 865 187.657 51.745 22.400 1.00737.35 C ATOM 17391 C6 A 0 865 187.928 50.377 22.215 1.00737.35 C ATOM 17392 N6 A 0 865 187.484 49.418 23.031 1.00737.35 N ATOM 17393 N1 A 0 865 188.683 50.023 21.153 1.00737.35 N ATOM 17394 C2 A 0 865 189.129 50.987 20.337 1.00737.35 C ATOM 17395 N3 A 0 865 188.943 52.301 20.401 1.00737.35 N ATOM 17396 C4 A 0 865 188.190 52.620 21.469 1.00737.35 C ATOM 17397 P U 0 866 184.087 56.782 19.151 1.00737.35 P ATOM 17398 O1P U 0 866 183.643 57.890 18.266 1.00737.35 O ATOM 17399 O2P U 0 866 183.186 56.299 20.229 1.00737.35 O ATOM 17400 O5* U 0 866 184.483 55.538 18.237 1.00737.35 O ATOM 17401 C5* U 0 866 185.322 55.706 17.097 1.00737.35 C ATOM 17402 C4* U 0 866 185.627 54.368 16.464 1.00737.35 C ATOM 17403 O4* U 0 866 186.409 53.562 17.384 1.00737.35 O ATOM 17404 C3* U 0 866 184.424 53.496 16.142 1.00737.35 C ATOM 17405 O3* U 0 866 183.843 53.866 14.894 1.00737.35 O ATOM 17406 C2* U 0 866 185.037 52.103 16.101 1.00737.35 C ATOM 17407 O2* U 0 866 185.680 51.812 14.875 1.00737.35 O ATOM 17408 C1* U 0 866 186.072 52.192 17.225 1.00737.35 C ATOM 17409 N1 U 0 866 185.594 51.663 18.514 1.00737.35 N ATOM 17410 C2 U 0 866 185.766 50.308 18.763 1.00737.35 C ATOM 17411 O2 U 0 866 186.296 49.546 17.968 1.00737.35 O ATOM 17412 N3 U 0 866 185.297 49.879 19.981 1.00737.35 N ATOM 17413 C4 U 0 866 184.686 50.644 20.954 1.00737.35 C ATOM 17414 O4 U 0 866 184.326 50.113 22.005 1.00737.35 O ATOM 17415 C5 U 0 866 184.543 52.027 20.623 1.00737.35 C ATOM 17416 C6 U 0 866 184.989 52.479 19.446 1.00737.35 C ATOM 17417 P G 0 867 182.258 53.709 14.676 1.00737.35 P ATOM 17418 O1P G 0 867 181.939 54.283 13.343 1.00737.35 O ATOM 17419 O2P G 0 867 181.562 54.226 15.882 1.00737.35 O ATOM 17420 O5* G 0 867 182.034 52.132 14.613 1.00737.35 O ATOM 17421 C5* G 0 867 182.412 51.384 13.457 1.00737.35 C ATOM 17422 C4* G 0 867 182.012 49.935 13.612 1.00737.35 C ATOM 17423 O4* G 0 867 182.799 49.321 14.665 1.00737.35 O ATOM 17424 C3* G 0 867 180.572 49.683 14.027 1.00737.35 C ATOM 17425 O3* G 0 867 179.700 49.727 12.903 1.00737.35 O ATOM 17426 C2* G 0 867 180.652 48.286 14.637 1.00737.35 C ATOM 17427 O2* G 0 867 180.633 47.256 13.670 1.00737.35 O ATOM 17428 C1* G 0 867 182.021 48.329 15.321 1.00737.35 C ATOM 17429 N9 G 0 867 181.960 48.648 16.745 1.00737.35 N ATOM 17430 C8 G 0 867 182.041 49.890 17.328 1.00737.35 C ATOM 17431 N7 G 0 867 181.956 49.855 18.629 1.00737.35 N ATOM 17432 C5 G 0 867 181.808 48.507 18.928 1.00737.35 C ATOM 17433 C6 G 0 867 181.665 47.851 20.181 1.00737.35 C ATOM 17434 O6 G 0 867 181.642 48.348 21.314 1.00737.35 O ATOM 17435 N1 G 0 867 181.541 46.476 20.025 1.00737.35 N ATOM 17436 C2 G 0 867 181.552 45.811 18.821 1.00737.35 C ATOM 17437 N2 G 0 867 181.419 44.478 18.880 1.00737.35 N ATOM 17438 N3 G 0 867 181.685 46.409 17.650 1.00737.35 N ATOM 17439 C4 G 0 867 181.807 47.748 17.776 1.00737.35 C ATOM 17440 P U 0 868 178.187 50.237 13.088 1.00737.35 P ATOM 17441 O1P U 0 868 177.552 50.237 11.743 1.00737.35 O ATOM 17442 O2P U 0 868 178.205 51.490 13.887 1.00737.35 O ATOM 17443 O5* U 0 868 177.500 49.097 13.965 1.00737.35 O ATOM 17444 C5* U 0 868 177.330 47.779 13.449 1.00737.35 C ATOM 17445 C4* U 0 868 176.965 46.820 14.558 1.00737.35 C ATOM 17446 O4* U 0 868 178.051 46.760 15.519 1.00737.35 O ATOM 17447 C3* U 0 868 175.751 47.198 15.391 1.00737.35 C ATOM 17448 O3* U 0 868 174.543 46.789 14.758 1.00737.35 O ATOM 17449 C2* U 0 868 176.007 46.441 16.690 1.00737.35 C ATOM 17450 O2* U 0 868 175.661 45.072 16.613 1.00737.35 O ATOM 17451 C1* U 0 868 177.525 46.585 16.827 1.00737.35 C ATOM 17452 N1 U 0 868 177.930 47.733 17.657 1.00737.35 N ATOM 17453 C2 U 0 868 178.064 47.529 19.026 1.00737.35 C ATOM 17454 O2 U 0 868 177.868 46.448 19.562 1.00737.35 O ATOM 17455 N3 U 0 868 178.434 48.640 19.742 1.00737.35 N ATOM 17456 C4 U 0 868 178.682 49.905 19.248 1.00737.35 C ATOM 17457 O4 U 0 868 179.007 50.804 20.026 1.00737.35 O ATOM 17458 C5 U 0 868 178.525 50.035 17.832 1.00737.35 C ATOM 17459 C6 U 0 868 178.165 48.976 17.106 1.00737.35 C ATOM 17460 P C 0 869 173.139 47.432 15.216 1.00737.35 P ATOM 17461 O1P C 0 869 172.141 47.104 14.167 1.00737.35 O ATOM 17462 O2P C 0 869 173.364 48.851 15.596 1.00737.35 O ATOM 17463 O5* C 0 869 172.762 46.619 16.533 1.00737.35 O ATOM 17464 C5* C 0 869 172.479 45.223 16.475 1.00737.35 C ATOM 17465 C4* C 0 869 172.350 44.648 17.866 1.00737.35 C ATOM 17466 O4* C 0 869 173.615 44.783 18.567 1.00737.35 O ATOM 17467 C3* C 0 869 171.344 45.327 18.783 1.00737.35 C ATOM 17468 O3* C 0 869 170.027 44.841 18.544 1.00737.35 O ATOM 17469 C2* C 0 869 171.857 44.937 20.165 1.00737.35 C ATOM 17470 O2* C 0 869 171.474 43.631 20.549 1.00737.35 O ATOM 17471 C1* C 0 869 173.372 44.984 19.951 1.00737.35 C ATOM 17472 N1 C 0 869 173.987 46.263 20.365 1.00737.35 N ATOM 17473 C2 C 0 869 174.366 46.428 21.709 1.00737.35 C ATOM 17474 O2 C 0 869 174.174 45.499 22.515 1.00737.35 O ATOM 17475 N3 C 0 869 174.932 47.594 22.096 1.00737.35 N ATOM 17476 C4 C 0 869 175.123 48.573 21.209 1.00737.35 C ATOM 17477 N4 C 0 869 175.683 49.705 21.637 1.00737.35 N ATOM 17478 C5 C 0 869 174.744 48.434 19.840 1.00737.35 C ATOM 17479 C6 C 0 869 174.187 47.274 19.466 1.00737.35 C ATOM 17480 P C 0 870 168.758 45.730 18.977 1.00737.35 P ATOM 17481 O1P C 0 870 167.545 45.050 18.451 1.00737.35 O ATOM 17482 O2P C 0 870 169.019 47.146 18.611 1.00737.35 O ATOM 17483 O5* C 0 870 168.737 45.620 20.567 1.00737.35 O ATOM 17484 C5* C 0 870 168.591 44.355 21.211 1.00737.35 C ATOM 17485 C4* C 0 870 168.544 44.530 22.711 1.00737.35 C ATOM 17486 O4* C 0 870 169.805 45.078 23.179 1.00737.35 O ATOM 17487 C3* C 0 870 167.494 45.499 23.233 1.00737.35 C ATOM 17488 O3* C 0 870 166.233 44.851 23.352 1.00737.35 O ATOM 17489 C2* C 0 870 168.071 45.902 24.587 1.00737.35 C ATOM 17490 O2* C 0 870 167.812 44.951 25.601 1.00737.35 O ATOM 17491 C1* C 0 870 169.571 45.939 24.285 1.00737.35 C ATOM 17492 N1 C 0 870 170.090 47.283 23.956 1.00737.35 N ATOM 17493 C2 C 0 870 170.568 48.103 24.998 1.00737.35 C ATOM 17494 O2 C 0 870 170.543 47.680 26.166 1.00737.35 O ATOM 17495 N3 C 0 870 171.051 49.331 24.699 1.00737.35 N ATOM 17496 C4 C 0 870 171.067 49.754 23.434 1.00737.35 C ATOM 17497 N4 C 0 870 171.558 50.971 23.191 1.00737.35 N ATOM 17498 C5 C 0 870 170.586 48.948 22.361 1.00737.35 C ATOM 17499 C6 C 0 870 170.110 47.734 22.664 1.00737.35 C ATOM 17500 P U 0 871 164.875 45.707 23.224 1.00737.35 P ATOM 17501 O1P U 0 871 163.769 44.740 23.000 1.00737.35 O ATOM 17502 O2P U 0 871 165.092 46.808 22.253 1.00737.35 O ATOM 17503 O5* U 0 871 164.688 46.347 24.671 1.00737.35 O ATOM 17504 C5* U 0 871 164.523 45.520 25.821 1.00737.35 C ATOM 17505 C4* U 0 871 164.822 46.302 27.077 1.00737.35 C ATOM 17506 O4* U 0 871 166.200 46.757 27.032 1.00737.35 O ATOM 17507 C3* U 0 871 164.011 47.573 27.271 1.00737.35 C ATOM 17508 O3* U 0 871 162.757 47.288 27.885 1.00737.35 O ATOM 17509 C2* U 0 871 164.918 48.404 28.172 1.00737.35 C ATOM 17510 O2* U 0 871 164.832 48.041 29.534 1.00737.35 O ATOM 17511 C1* U 0 871 166.303 48.042 27.624 1.00737.35 C ATOM 17512 N1 U 0 871 166.808 48.988 26.614 1.00737.35 N ATOM 17513 C2 U 0 871 167.700 49.966 27.029 1.00737.35 C ATOM 17514 O2 U 0 871 168.086 50.072 28.184 1.00737.35 O ATOM 17515 N3 U 0 871 168.125 50.818 26.042 1.00737.35 N ATOM 17516 C4 U 0 871 167.765 50.796 24.709 1.00737.35 C ATOM 17517 O4 U 0 871 168.235 51.636 23.942 1.00737.35 O ATOM 17518 C5 U 0 871 166.846 49.758 24.358 1.00737.35 C ATOM 17519 C6 U 0 871 166.410 48.911 25.294 1.00737.35 C ATOM 17520 P G 0 872 161.500 48.255 27.621 1.00737.35 P ATOM 17521 O1P G 0 872 160.381 47.769 28.467 1.00737.35 O ATOM 17522 O2P G 0 872 161.307 48.382 26.151 1.00737.35 O ATOM 17523 O5* G 0 872 161.980 49.660 28.193 1.00737.35 O ATOM 17524 C5* G 0 872 161.340 50.876 27.810 1.00737.35 C ATOM 17525 C4* G 0 872 162.353 51.993 27.757 1.00737.35 C ATOM 17526 O4* G 0 872 163.394 51.641 26.808 1.00737.35 O ATOM 17527 C3* G 0 872 161.846 53.344 27.279 1.00737.35 C ATOM 17528 O3* G 0 872 161.283 54.068 28.371 1.00737.35 O ATOM 17529 C2* G 0 872 163.118 54.003 26.766 1.00737.35 C ATOM 17530 O2* G 0 872 163.888 54.563 27.806 1.00737.35 O ATOM 17531 C1* G 0 872 163.864 52.810 26.161 1.00737.35 C ATOM 17532 N9 G 0 872 163.665 52.662 24.722 1.00737.35 N ATOM 17533 C8 G 0 872 162.859 51.749 24.079 1.00737.35 C ATOM 17534 N7 G 0 872 162.890 51.864 22.779 1.00737.35 N ATOM 17535 C5 G 0 872 163.769 52.915 22.546 1.00737.35 C ATOM 17536 C6 G 0 872 164.200 53.499 21.328 1.00737.35 C ATOM 17537 O6 G 0 872 163.884 53.194 20.171 1.00737.35 O ATOM 17538 N1 G 0 872 165.092 54.542 21.550 1.00737.35 N ATOM 17539 C2 G 0 872 165.516 54.971 22.783 1.00737.35 C ATOM 17540 N2 G 0 872 166.381 55.997 22.790 1.00737.35 N ATOM 17541 N3 G 0 872 165.122 54.435 23.926 1.00737.35 N ATOM 17542 C4 G 0 872 164.253 53.419 23.733 1.00737.35 C ATOM 17543 P U 0 873 160.635 55.519 28.127 1.00737.35 P ATOM 17544 O1P U 0 873 159.495 55.355 27.190 1.00737.35 O ATOM 17545 O2P U 0 873 161.728 56.469 27.793 1.00737.35 O ATOM 17546 O5* U 0 873 160.049 55.906 29.557 1.00737.35 O ATOM 17547 C5* U 0 873 160.213 57.214 30.106 1.00737.35 C ATOM 17548 C4* U 0 873 160.689 57.110 31.535 1.00737.35 C ATOM 17549 O4* U 0 873 162.075 56.679 31.538 1.00737.35 O ATOM 17550 C3* U 0 873 160.747 58.399 32.335 1.00737.35 C ATOM 17551 O3* U 0 873 159.460 58.749 32.837 1.00737.35 O ATOM 17552 C2* U 0 873 161.694 58.014 33.468 1.00737.35 C ATOM 17553 O2* U 0 873 161.058 57.281 34.500 1.00737.35 O ATOM 17554 C1* U 0 873 162.698 57.115 32.737 1.00737.35 C ATOM 17555 N1 U 0 873 163.967 57.797 32.415 1.00737.35 N ATOM 17556 C2 U 0 873 165.144 57.186 32.823 1.00737.35 C ATOM 17557 O2 U 0 873 165.165 56.080 33.348 1.00737.35 O ATOM 17558 N3 U 0 873 166.290 57.918 32.592 1.00737.35 N ATOM 17559 C4 U 0 873 166.373 59.175 32.020 1.00737.35 C ATOM 17560 O4 U 0 873 167.416 59.823 32.148 1.00737.35 O ATOM 17561 C5 U 0 873 165.120 59.705 31.572 1.00737.35 C ATOM 17562 C6 U 0 873 163.992 59.017 31.775 1.00737.35 C ATOM 17563 P A 0 874 158.704 60.046 32.261 1.00737.35 P ATOM 17564 O1P A 0 874 157.736 60.491 33.296 1.00737.35 O ATOM 17565 O2P A 0 874 158.219 59.726 30.893 1.00737.35 O ATOM 17566 O5* A 0 874 159.845 61.150 32.136 1.00737.35 O ATOM 17567 C5* A 0 874 160.494 61.678 33.292 1.00737.35 C ATOM 17568 C4* A 0 874 161.648 62.566 32.889 1.00737.35 C ATOM 17569 O4* A 0 874 162.631 61.775 32.168 1.00737.35 O ATOM 17570 C3* A 0 874 161.310 63.696 31.927 1.00737.35 C ATOM 17571 O3* A 0 874 160.807 64.837 32.612 1.00737.35 O ATOM 17572 C2* A 0 874 162.659 63.981 31.281 1.00737.35 C ATOM 17573 O2* A 0 874 163.503 64.782 32.083 1.00737.35 O ATOM 17574 C1* A 0 874 163.240 62.571 31.159 1.00737.35 C ATOM 17575 N9 A 0 874 162.987 61.951 29.855 1.00737.35 N ATOM 17576 C8 A 0 874 162.219 60.849 29.566 1.00737.35 C ATOM 17577 N7 A 0 874 162.190 60.542 28.292 1.00737.35 N ATOM 17578 C5 A 0 874 162.996 61.506 27.700 1.00737.35 C ATOM 17579 C6 A 0 874 163.372 61.737 26.364 1.00737.35 C ATOM 17580 N6 A 0 874 162.969 60.980 25.340 1.00737.35 N ATOM 17581 N1 A 0 874 164.186 62.783 26.110 1.00737.35 N ATOM 17582 C2 A 0 874 164.588 63.543 27.136 1.00737.35 C ATOM 17583 N3 A 0 874 164.304 63.431 28.430 1.00737.35 N ATOM 17584 C4 A 0 874 163.493 62.380 28.650 1.00737.35 C ATOM 17585 P G 0 875 159.609 65.690 31.964 1.00737.35 P ATOM 17586 O1P G 0 875 159.613 67.027 32.612 1.00737.35 O ATOM 17587 O2P G 0 875 158.376 64.861 32.007 1.00737.35 O ATOM 17588 O5* G 0 875 160.034 65.868 30.438 1.00737.35 O ATOM 17589 C5* G 0 875 161.134 66.702 30.071 1.00737.35 C ATOM 17590 C4* G 0 875 161.346 66.659 28.575 1.00737.35 C ATOM 17591 O4* G 0 875 161.787 65.334 28.179 1.00737.35 O ATOM 17592 C3* G 0 875 160.105 66.916 27.735 1.00737.35 C ATOM 17593 O3* G 0 875 159.899 68.314 27.563 1.00737.35 O ATOM 17594 C2* G 0 875 160.448 66.223 26.420 1.00737.35 C ATOM 17595 O2* G 0 875 161.255 67.013 25.570 1.00737.35 O ATOM 17596 C1* G 0 875 161.246 65.010 26.908 1.00737.35 C ATOM 17597 N9 G 0 875 160.464 63.782 27.038 1.00737.35 N ATOM 17598 C8 G 0 875 159.894 63.281 28.188 1.00737.35 C ATOM 17599 N7 G 0 875 159.269 62.151 28.000 1.00737.35 N ATOM 17600 C5 G 0 875 159.429 61.887 26.647 1.00737.35 C ATOM 17601 C6 G 0 875 158.974 60.795 25.863 1.00737.35 C ATOM 17602 O6 G 0 875 158.322 59.807 26.224 1.00737.35 O ATOM 17603 N1 G 0 875 159.353 60.927 24.534 1.00737.35 N ATOM 17604 C2 G 0 875 160.082 61.969 24.018 1.00737.35 C ATOM 17605 N2 G 0 875 160.345 61.910 22.702 1.00737.35 N ATOM 17606 N3 G 0 875 160.521 62.993 24.738 1.00737.35 N ATOM 17607 C4 G 0 875 160.160 62.887 26.035 1.00737.35 C ATOM 17608 P A 0 876 158.416 68.925 27.691 1.00737.35 P ATOM 17609 O1P A 0 876 158.514 70.385 27.441 1.00737.35 O ATOM 17610 O2P A 0 876 157.817 68.439 28.962 1.00737.35 O ATOM 17611 O5* A 0 876 157.622 68.262 26.483 1.00737.35 O ATOM 17612 C5* A 0 876 158.031 68.472 25.132 1.00737.35 C ATOM 17613 C4* A 0 876 157.407 67.434 24.231 1.00737.35 C ATOM 17614 O4* A 0 876 157.906 66.120 24.598 1.00737.35 O ATOM 17615 C3* A 0 876 155.895 67.312 24.330 1.00737.35 C ATOM 17616 O3* A 0 876 155.258 68.263 23.479 1.00737.35 O ATOM 17617 C2* A 0 876 155.651 65.875 23.884 1.00737.35 C ATOM 17618 O2* A 0 876 155.659 65.719 22.478 1.00737.35 O ATOM 17619 C1* A 0 876 156.866 65.162 24.488 1.00737.35 C ATOM 17620 N9 A 0 876 156.625 64.589 25.816 1.00737.35 N ATOM 17621 C8 A 0 876 157.004 65.096 27.036 1.00737.35 C ATOM 17622 N7 A 0 876 156.655 64.345 28.052 1.00737.35 N ATOM 17623 C5 A 0 876 155.997 63.275 27.468 1.00737.35 C ATOM 17624 C6 A 0 876 155.385 62.128 28.008 1.00737.35 C ATOM 17625 N6 A 0 876 155.343 61.854 29.316 1.00737.35 N ATOM 17626 N1 A 0 876 154.814 61.258 27.146 1.00737.35 N ATOM 17627 C2 A 0 876 154.863 61.526 25.836 1.00737.35 C ATOM 17628 N3 A 0 876 155.410 62.563 25.208 1.00737.35 N ATOM 17629 C4 A 0 876 155.967 63.412 26.090 1.00737.35 C ATOM 17630 P G 0 877 153.773 68.780 23.821 1.00737.35 P ATOM 17631 O1P G 0 877 153.579 70.066 23.102 1.00737.35 O ATOM 17632 O2P G 0 877 153.568 68.728 25.291 1.00737.35 O ATOM 17633 O5* G 0 877 152.826 67.691 23.147 1.00737.35 O ATOM 17634 C5* G 0 877 152.854 67.466 21.740 1.00737.35 C ATOM 17635 C4* G 0 877 152.224 66.133 21.410 1.00737.35 C ATOM 17636 O4* G 0 877 152.965 65.081 22.084 1.00737.35 O ATOM 17637 C3* G 0 877 150.787 65.950 21.873 1.00737.35 C ATOM 17638 O3* G 0 877 149.879 66.475 20.904 1.00737.35 O ATOM 17639 C2* G 0 877 150.683 64.435 21.998 1.00737.35 C ATOM 17640 O2* G 0 877 150.498 63.795 20.753 1.00737.35 O ATOM 17641 C1* G 0 877 152.067 64.084 22.547 1.00737.35 C ATOM 17642 N9 G 0 877 152.133 64.049 24.007 1.00737.35 N ATOM 17643 C8 G 0 877 152.541 65.062 24.842 1.00737.35 C ATOM 17644 N7 G 0 877 152.501 64.732 26.106 1.00737.35 N ATOM 17645 C5 G 0 877 152.037 63.425 26.105 1.00737.35 C ATOM 17646 C6 G 0 877 151.788 62.539 27.185 1.00737.35 C ATOM 17647 O6 G 0 877 151.941 62.737 28.398 1.00737.35 O ATOM 17648 N1 G 0 877 151.319 61.309 26.737 1.00737.35 N ATOM 17649 C2 G 0 877 151.113 60.970 25.421 1.00737.35 C ATOM 17650 N2 G 0 877 150.651 59.732 25.192 1.00737.35 N ATOM 17651 N3 G 0 877 151.346 61.786 24.405 1.00737.35 N ATOM 17652 C4 G 0 877 151.801 62.988 24.817 1.00737.35 C ATOM 17653 P C 0 878 148.334 66.710 21.293 1.00737.35 P ATOM 17654 O1P C 0 878 147.812 67.766 20.389 1.00737.35 O ATOM 17655 O2P C 0 878 148.223 66.888 22.765 1.00737.35 O ATOM 17656 O5* C 0 878 147.626 65.336 20.905 1.00737.35 O ATOM 17657 C5* C 0 878 147.692 64.831 19.572 1.00737.35 C ATOM 17658 C4* C 0 878 147.306 63.372 19.543 1.00737.35 C ATOM 17659 O4* C 0 878 148.211 62.623 20.397 1.00737.35 O ATOM 17660 C3* C 0 878 145.918 63.036 20.066 1.00737.35 C ATOM 17661 O3* C 0 878 144.901 63.353 19.099 1.00737.35 O ATOM 17662 C2* C 0 878 146.072 61.592 20.543 1.00737.35 C ATOM 17663 O2* C 0 878 145.990 60.599 19.542 1.00737.35 O ATOM 17664 C1* C 0 878 147.500 61.605 21.087 1.00737.35 C ATOM 17665 N1 C 0 878 147.608 61.864 22.540 1.00737.35 N ATOM 17666 C2 C 0 878 147.732 60.770 23.415 1.00737.35 C ATOM 17667 O2 C 0 878 147.738 59.618 22.950 1.00737.35 O ATOM 17668 N3 C 0 878 147.845 60.998 24.744 1.00737.35 N ATOM 17669 C4 C 0 878 147.837 62.250 25.208 1.00737.35 C ATOM 17670 N4 C 0 878 147.960 62.430 26.527 1.00737.35 N ATOM 17671 C5 C 0 878 147.702 63.376 24.345 1.00737.35 C ATOM 17672 C6 C 0 878 147.590 63.139 23.033 1.00737.35 C ATOM 17673 P A 0 879 144.558 62.341 17.890 1.00737.35 P ATOM 17674 O1P A 0 879 145.847 61.852 17.338 1.00737.35 O ATOM 17675 O2P A 0 879 143.600 63.036 16.993 1.00737.35 O ATOM 17676 O5* A 0 879 143.801 61.123 18.591 1.00737.35 O ATOM 17677 C5* A 0 879 142.507 60.707 18.149 1.00737.35 C ATOM 17678 C4* A 0 879 142.499 59.223 17.863 1.00737.35 C ATOM 17679 O4* A 0 879 143.451 58.936 16.803 1.00737.35 O ATOM 17680 C3* A 0 879 142.912 58.325 19.016 1.00737.35 C ATOM 17681 O3* A 0 879 141.780 58.027 19.834 1.00737.35 O ATOM 17682 C2* A 0 879 143.433 57.090 18.291 1.00737.35 C ATOM 17683 O2* A 0 879 142.396 56.230 17.851 1.00737.35 O ATOM 17684 C1* A 0 879 144.115 57.713 17.069 1.00737.35 C ATOM 17685 N9 A 0 879 145.548 57.995 17.213 1.00737.35 N ATOM 17686 C8 A 0 879 146.216 59.079 16.694 1.00737.35 C ATOM 17687 N7 A 0 879 147.498 59.092 16.958 1.00737.35 N ATOM 17688 C5 A 0 879 147.695 57.939 17.705 1.00737.35 C ATOM 17689 C6 A 0 879 148.843 57.383 18.289 1.00737.35 C ATOM 17690 N6 A 0 879 150.057 57.936 18.209 1.00737.35 N ATOM 17691 N1 A 0 879 148.702 56.223 18.970 1.00737.35 N ATOM 17692 C2 A 0 879 147.486 55.671 19.047 1.00737.35 C ATOM 17693 N3 A 0 879 146.330 56.099 18.540 1.00737.35 N ATOM 17694 C4 A 0 879 146.503 57.251 17.870 1.00737.35 C ATOM 17695 P C 0 880 141.984 57.638 21.383 1.00737.35 P ATOM 17696 O1P C 0 880 140.661 57.222 21.911 1.00737.35 O ATOM 17697 O2P C 0 880 142.733 58.729 22.062 1.00737.35 O ATOM 17698 O5* C 0 880 142.915 56.347 21.343 1.00737.35 O ATOM 17699 C5* C 0 880 142.532 55.190 20.605 1.00737.35 C ATOM 17700 C4* C 0 880 143.284 53.983 21.103 1.00737.35 C ATOM 17701 O4* C 0 880 144.710 54.249 21.009 1.00737.35 O ATOM 17702 C3* C 0 880 143.064 53.652 22.569 1.00737.35 C ATOM 17703 O3* C 0 880 141.892 52.861 22.740 1.00737.35 O ATOM 17704 C2* C 0 880 144.332 52.878 22.918 1.00737.35 C ATOM 17705 O2* C 0 880 144.293 51.527 22.506 1.00737.35 O ATOM 17706 C1* C 0 880 145.381 53.637 22.100 1.00737.35 C ATOM 17707 N1 C 0 880 146.096 54.676 22.873 1.00737.35 N ATOM 17708 C2 C 0 880 147.191 54.294 23.664 1.00737.35 C ATOM 17709 O2 C 0 880 147.531 53.099 23.689 1.00737.35 O ATOM 17710 N3 C 0 880 147.851 55.234 24.381 1.00737.35 N ATOM 17711 C4 C 0 880 147.458 56.507 24.330 1.00737.35 C ATOM 17712 N4 C 0 880 148.139 57.397 25.053 1.00737.35 N ATOM 17713 C5 C 0 880 146.350 56.927 23.534 1.00737.35 C ATOM 17714 C6 C 0 880 145.704 55.987 22.831 1.00737.35 C ATOM 17715 P U 0 881 140.851 53.222 23.910 1.00737.35 P ATOM 17716 O1P U 0 881 139.775 52.197 23.879 1.00737.35 O ATOM 17717 O2P U 0 881 140.495 54.660 23.797 1.00737.35 O ATOM 17718 O5* U 0 881 141.695 53.030 25.248 1.00737.35 O ATOM 17719 C5* U 0 881 141.857 51.742 25.837 1.00737.35 C ATOM 17720 C4* U 0 881 142.442 51.872 27.224 1.00737.35 C ATOM 17721 O4* U 0 881 143.790 52.407 27.128 1.00737.35 O ATOM 17722 C3* U 0 881 141.720 52.835 28.154 1.00737.35 C ATOM 17723 O3* U 0 881 140.619 52.199 28.797 1.00737.35 O ATOM 17724 C2* U 0 881 142.818 53.218 29.139 1.00737.35 C ATOM 17725 O2* U 0 881 143.011 52.253 30.155 1.00737.35 O ATOM 17726 C1* U 0 881 144.045 53.268 28.225 1.00737.35 C ATOM 17727 N1 U 0 881 144.342 54.615 27.709 1.00737.35 N ATOM 17728 C2 U 0 881 145.231 55.402 28.428 1.00737.35 C ATOM 17729 O2 U 0 881 145.769 55.029 29.459 1.00737.35 O ATOM 17730 N3 U 0 881 145.465 56.645 27.894 1.00737.35 N ATOM 17731 C4 U 0 881 144.918 57.174 26.743 1.00737.35 C ATOM 17732 O4 U 0 881 145.228 58.313 26.392 1.00737.35 O ATOM 17733 C5 U 0 881 144.012 56.304 26.057 1.00737.35 C ATOM 17734 C6 U 0 881 143.762 55.087 26.549 1.00737.35 C ATOM 17735 P C 0 882 139.372 53.081 29.302 1.00737.35 P ATOM 17736 O1P C 0 882 138.381 52.139 29.884 1.00737.35 O ATOM 17737 O2P C 0 882 138.960 53.992 28.205 1.00737.35 O ATOM 17738 O5* C 0 882 139.976 53.964 30.484 1.00737.35 O ATOM 17739 C5* C 0 882 140.226 53.399 31.770 1.00737.35 C ATOM 17740 C4* C 0 882 140.759 54.450 32.718 1.00737.35 C ATOM 17741 O4* C 0 882 142.037 54.933 32.232 1.00737.35 O ATOM 17742 C3* C 0 882 139.919 55.708 32.871 1.00737.35 C ATOM 17743 O3* C 0 882 138.867 55.521 33.814 1.00737.35 O ATOM 17744 C2* C 0 882 140.946 56.720 33.365 1.00737.35 C ATOM 17745 O2* C 0 882 141.202 56.625 34.754 1.00737.35 O ATOM 17746 C1* C 0 882 142.191 56.303 32.578 1.00737.35 C ATOM 17747 N1 C 0 882 142.397 57.092 31.346 1.00737.35 N ATOM 17748 C2 C 0 882 143.103 58.304 31.424 1.00737.35 C ATOM 17749 O2 C 0 882 143.543 58.679 32.524 1.00737.35 O ATOM 17750 N3 C 0 882 143.287 59.034 30.300 1.00737.35 N ATOM 17751 C4 C 0 882 142.800 58.603 29.136 1.00737.35 C ATOM 17752 N4 C 0 882 143.005 59.361 28.055 1.00737.35 N ATOM 17753 C5 C 0 882 142.084 57.375 29.025 1.00737.35 C ATOM 17754 C6 C 0 882 141.906 56.659 30.142 1.00737.35 C ATOM 17755 P A 0 883 137.585 56.492 33.780 1.00737.35 P ATOM 17756 O1P A 0 883 136.720 56.122 34.931 1.00737.35 O ATOM 17757 O2P A 0 883 137.020 56.478 32.406 1.00737.35 O ATOM 17758 O5* A 0 883 138.196 57.938 34.068 1.00737.35 O ATOM 17759 C5* A 0 883 137.521 59.121 33.652 1.00737.35 C ATOM 17760 C4* A 0 883 138.332 60.339 34.027 1.00737.35 C ATOM 17761 O4* A 0 883 139.670 60.213 33.479 1.00737.35 O ATOM 17762 C3* A 0 883 137.826 61.664 33.478 1.00737.35 C ATOM 17763 O3* A 0 883 136.812 62.215 34.314 1.00737.35 O ATOM 17764 C2* A 0 883 139.087 62.519 33.484 1.00737.35 C ATOM 17765 O2* A 0 883 139.382 63.064 34.756 1.00737.35 O ATOM 17766 C1* A 0 883 140.153 61.491 33.100 1.00737.35 C ATOM 17767 N9 A 0 883 140.456 61.473 31.667 1.00737.35 N ATOM 17768 C8 A 0 883 140.069 60.548 30.726 1.00737.35 C ATOM 17769 N7 A 0 883 140.503 60.810 29.516 1.00737.35 N ATOM 17770 C5 A 0 883 141.225 61.984 29.668 1.00737.35 C ATOM 17771 C6 A 0 883 141.940 62.783 28.756 1.00737.35 C ATOM 17772 N6 A 0 883 142.054 62.499 27.456 1.00737.35 N ATOM 17773 N1 A 0 883 142.544 63.894 29.231 1.00737.35 N ATOM 17774 C2 A 0 883 142.435 64.172 30.536 1.00737.35 C ATOM 17775 N3 A 0 883 141.796 63.502 31.491 1.00737.35 N ATOM 17776 C4 A 0 883 141.204 62.406 30.987 1.00737.35 C ATOM 17777 P C 0 884 135.696 63.185 33.681 1.00737.35 P ATOM 17778 O1P C 0 884 134.843 63.664 34.800 1.00737.35 O ATOM 17779 O2P C 0 884 135.070 62.490 32.529 1.00737.35 O ATOM 17780 O5* C 0 884 136.530 64.425 33.124 1.00737.35 O ATOM 17781 C5* C 0 884 137.249 65.281 34.011 1.00737.35 C ATOM 17782 C4* C 0 884 138.149 66.212 33.230 1.00737.35 C ATOM 17783 O4* C 0 884 139.128 65.433 32.488 1.00737.35 O ATOM 17784 C3* C 0 884 137.469 67.065 32.170 1.00737.35 C ATOM 17785 O3* C 0 884 136.904 68.241 32.742 1.00737.35 O ATOM 17786 C2* C 0 884 138.621 67.381 31.221 1.00737.35 C ATOM 17787 O2* C 0 884 139.450 68.431 31.679 1.00737.35 O ATOM 17788 C1* C 0 884 139.399 66.061 31.244 1.00737.35 C ATOM 17789 N1 C 0 884 139.025 65.139 30.154 1.00737.35 N ATOM 17790 C2 C 0 884 139.610 65.305 28.887 1.00737.35 C ATOM 17791 O2 C 0 884 140.433 66.221 28.715 1.00737.35 O ATOM 17792 N3 C 0 884 139.270 64.463 27.884 1.00737.35 N ATOM 17793 C4 C 0 884 138.385 63.487 28.105 1.00737.35 C ATOM 17794 N4 C 0 884 138.079 62.681 27.087 1.00737.35 N ATOM 17795 C5 C 0 884 137.771 63.297 29.376 1.00737.35 C ATOM 17796 C6 C 0 884 138.116 64.136 30.362 1.00737.35 C ATOM 17797 P A 0 885 135.817 69.093 31.917 1.00737.35 P ATOM 17798 O1P A 0 885 134.928 69.745 32.912 1.00737.35 O ATOM 17799 O2P A 0 885 135.224 68.229 30.863 1.00737.35 O ATOM 17800 O5* A 0 885 136.681 70.220 31.198 1.00737.35 O ATOM 17801 C5* A 0 885 137.227 71.311 31.938 1.00737.35 C ATOM 17802 C4* A 0 885 137.576 72.458 31.015 1.00737.35 C ATOM 17803 O4* A 0 885 138.706 72.095 30.181 1.00737.35 O ATOM 17804 C3* A 0 885 136.500 72.863 30.025 1.00737.35 C ATOM 17805 O3* A 0 885 135.536 73.719 30.626 1.00737.35 O ATOM 17806 C2* A 0 885 137.309 73.572 28.946 1.00737.35 C ATOM 17807 O2* A 0 885 137.621 74.910 29.272 1.00737.35 O ATOM 17808 C1* A 0 885 138.584 72.729 28.917 1.00737.35 C ATOM 17809 N9 A 0 885 138.573 71.697 27.877 1.00737.35 N ATOM 17810 C8 A 0 885 138.087 70.413 27.958 1.00737.35 C ATOM 17811 N7 A 0 885 138.215 69.729 26.847 1.00737.35 N ATOM 17812 C5 A 0 885 138.826 70.619 25.975 1.00737.35 C ATOM 17813 C6 A 0 885 139.234 70.503 24.632 1.00737.35 C ATOM 17814 N6 A 0 885 139.080 69.394 23.905 1.00737.35 N ATOM 17815 N1 A 0 885 139.813 71.577 24.058 1.00737.35 N ATOM 17816 C2 A 0 885 139.966 72.690 24.787 1.00737.35 C ATOM 17817 N3 A 0 885 139.628 72.922 26.051 1.00737.35 N ATOM 17818 C4 A 0 885 139.053 71.834 26.598 1.00737.35 C ATOM 17819 P A 0 886 134.000 73.650 30.147 1.00737.35 P ATOM 17820 O1P A 0 886 133.179 74.404 31.131 1.00737.35 O ATOM 17821 O2P A 0 886 133.679 72.226 29.868 1.00737.35 O ATOM 17822 O5* A 0 886 133.990 74.441 28.764 1.00737.35 O ATOM 17823 C5* A 0 886 134.033 75.865 28.739 1.00737.35 C ATOM 17824 C4* A 0 886 133.996 76.371 27.313 1.00737.35 C ATOM 17825 O4* A 0 886 135.226 76.013 26.629 1.00737.35 O ATOM 17826 C3* A 0 886 132.905 75.796 26.424 1.00737.35 C ATOM 17827 O3* A 0 886 131.657 76.453 26.620 1.00737.35 O ATOM 17828 C2* A 0 886 133.468 76.045 25.029 1.00737.35 C ATOM 17829 O2* A 0 886 133.275 77.373 24.583 1.00737.35 O ATOM 17830 C1* A 0 886 134.958 75.783 25.254 1.00737.35 C ATOM 17831 N9 A 0 886 135.355 74.411 24.924 1.00737.35 N ATOM 17832 C8 A 0 886 135.423 73.322 25.758 1.00737.35 C ATOM 17833 N7 A 0 886 135.811 72.222 25.160 1.00737.35 N ATOM 17834 C5 A 0 886 136.015 72.613 23.846 1.00737.35 C ATOM 17835 C6 A 0 886 136.434 71.908 22.703 1.00737.35 C ATOM 17836 N6 A 0 886 136.733 70.606 22.701 1.00737.35 N ATOM 17837 N1 A 0 886 136.535 72.593 21.543 1.00737.35 N ATOM 17838 C2 A 0 886 136.233 73.895 21.540 1.00737.35 C ATOM 17839 N3 A 0 886 135.829 74.670 22.547 1.00737.35 N ATOM 17840 C4 A 0 886 135.739 73.959 23.684 1.00737.35 C ATOM 17841 P G 0 887 130.289 75.698 26.236 1.00737.35 P ATOM 17842 O1P G 0 887 129.152 76.508 26.744 1.00737.35 O ATOM 17843 O2P G 0 887 130.424 74.279 26.655 1.00737.35 O ATOM 17844 O5* G 0 887 130.265 75.727 24.642 1.00737.35 O ATOM 17845 C5* G 0 887 130.257 76.961 23.928 1.00737.35 C ATOM 17846 C4* G 0 887 130.572 76.725 22.465 1.00737.35 C ATOM 17847 O4* G 0 887 131.890 76.122 22.351 1.00737.35 O ATOM 17848 C3* G 0 887 129.668 75.749 21.727 1.00737.35 C ATOM 17849 O3* G 0 887 128.471 76.374 21.270 1.00737.35 O ATOM 17850 C2* G 0 887 130.547 75.313 20.561 1.00737.35 C ATOM 17851 O2* G 0 887 130.570 76.244 19.500 1.00737.35 O ATOM 17852 C1* G 0 887 131.924 75.261 21.224 1.00737.35 C ATOM 17853 N9 G 0 887 132.303 73.912 21.665 1.00737.35 N ATOM 17854 C8 G 0 887 132.304 73.422 22.949 1.00737.35 C ATOM 17855 N7 G 0 887 132.702 72.179 23.016 1.00737.35 N ATOM 17856 C5 G 0 887 132.977 71.830 21.701 1.00737.35 C ATOM 17857 C6 G 0 887 133.445 70.609 21.148 1.00737.35 C ATOM 17858 O6 G 0 887 133.726 69.553 21.735 1.00737.35 O ATOM 17859 N1 G 0 887 133.582 70.690 19.767 1.00737.35 N ATOM 17860 C2 G 0 887 133.308 71.801 19.010 1.00737.35 C ATOM 17861 N2 G 0 887 133.502 71.681 17.690 1.00737.35 N ATOM 17862 N3 G 0 887 132.873 72.945 19.512 1.00737.35 N ATOM 17863 C4 G 0 887 132.731 72.893 20.852 1.00737.35 C ATOM 17864 P G 0 888 127.166 75.479 20.974 1.00737.35 P ATOM 17865 O1P G 0 888 126.025 76.387 20.698 1.00737.35 O ATOM 17866 O2P G 0 888 127.063 74.481 22.069 1.00737.35 O ATOM 17867 O5* G 0 888 127.525 74.699 19.630 1.00737.35 O ATOM 17868 C5* G 0 888 127.864 75.408 18.437 1.00737.35 C ATOM 17869 C4* G 0 888 128.164 74.445 17.309 1.00737.35 C ATOM 17870 O4* G 0 888 129.307 73.620 17.656 1.00737.35 O ATOM 17871 C3* G 0 888 127.070 73.442 16.979 1.00737.35 C ATOM 17872 O3* G 0 888 126.096 74.023 16.115 1.00737.35 O ATOM 17873 C2* G 0 888 127.849 72.327 16.290 1.00737.35 C ATOM 17874 O2* G 0 888 128.120 72.594 14.930 1.00737.35 O ATOM 17875 C1* G 0 888 129.159 72.332 17.083 1.00737.35 C ATOM 17876 N9 G 0 888 129.201 71.336 18.152 1.00737.35 N ATOM 17877 C8 G 0 888 128.927 71.530 19.487 1.00737.35 C ATOM 17878 N7 G 0 888 129.056 70.446 20.201 1.00737.35 N ATOM 17879 C5 G 0 888 129.440 69.473 19.288 1.00737.35 C ATOM 17880 C6 G 0 888 129.728 68.094 19.478 1.00737.35 C ATOM 17881 O6 G 0 888 129.702 67.437 20.528 1.00737.35 O ATOM 17882 N1 G 0 888 130.073 67.477 18.282 1.00737.35 N ATOM 17883 C2 G 0 888 130.136 68.099 17.061 1.00737.35 C ATOM 17884 N2 G 0 888 130.487 67.327 16.019 1.00737.35 N ATOM 17885 N3 G 0 888 129.874 69.381 16.870 1.00737.35 N ATOM 17886 C4 G 0 888 129.533 70.005 18.019 1.00737.35 C ATOM 17887 P C 0 889 124.575 73.502 16.162 1.00737.35 P ATOM 17888 O1P C 0 889 123.783 74.306 15.196 1.00737.35 O ATOM 17889 O2P C 0 889 124.163 73.457 17.589 1.00737.35 O ATOM 17890 O5* C 0 889 124.663 72.004 15.620 1.00737.35 O ATOM 17891 C5* C 0 889 125.137 71.732 14.302 1.00737.35 C ATOM 17892 C4* C 0 889 125.377 70.249 14.124 1.00737.35 C ATOM 17893 O4* C 0 889 126.417 69.813 15.039 1.00737.35 O ATOM 17894 C3* C 0 889 124.193 69.343 14.427 1.00737.35 C ATOM 17895 O3* C 0 889 123.351 69.236 13.283 1.00737.35 O ATOM 17896 C2* C 0 889 124.876 68.019 14.755 1.00737.35 C ATOM 17897 O2* C 0 889 125.234 67.277 13.604 1.00737.35 O ATOM 17898 C1* C 0 889 126.139 68.491 15.480 1.00737.35 C ATOM 17899 N1 C 0 889 126.003 68.500 16.951 1.00737.35 N ATOM 17900 C2 C 0 889 126.249 67.316 17.667 1.00737.35 C ATOM 17901 O2 C 0 889 126.601 66.295 17.053 1.00737.35 O ATOM 17902 N3 C 0 889 126.095 67.316 19.011 1.00737.35 N ATOM 17903 C4 C 0 889 125.723 68.434 19.642 1.00737.35 C ATOM 17904 N4 C 0 889 125.569 68.383 20.967 1.00737.35 N ATOM 17905 C5 C 0 889 125.485 69.652 18.943 1.00737.35 C ATOM 17906 C6 C 0 889 125.635 69.640 17.613 1.00737.35 C ATOM 17907 P U 0 890 121.766 69.038 13.470 1.00737.35 P ATOM 17908 O1P U 0 890 121.159 68.937 12.120 1.00737.35 O ATOM 17909 O2P U 0 890 121.288 70.081 14.414 1.00737.35 O ATOM 17910 O5* U 0 890 121.635 67.622 14.189 1.00737.35 O ATOM 17911 C5* U 0 890 122.125 66.432 13.570 1.00737.35 C ATOM 17912 C4* U 0 890 122.088 65.280 14.546 1.00737.35 C ATOM 17913 O4* U 0 890 122.950 65.581 15.674 1.00737.35 O ATOM 17914 C3* U 0 890 120.733 64.991 15.173 1.00737.35 C ATOM 17915 O3* U 0 890 119.939 64.164 14.329 1.00737.35 O ATOM 17916 C2* U 0 890 121.117 64.285 16.468 1.00737.35 C ATOM 17917 O2* U 0 890 121.412 62.912 16.293 1.00737.35 O ATOM 17918 C1* U 0 890 122.384 65.048 16.864 1.00737.35 C ATOM 17919 N1 U 0 890 122.137 66.151 17.807 1.00737.35 N ATOM 17920 C2 U 0 890 122.192 65.870 19.167 1.00737.35 C ATOM 17921 O2 U 0 890 122.432 64.757 19.608 1.00737.35 O ATOM 17922 N3 U 0 890 121.952 66.941 19.992 1.00737.35 N ATOM 17923 C4 U 0 890 121.668 68.239 19.609 1.00737.35 C ATOM 17924 O4 U 0 890 121.488 69.097 20.473 1.00737.35 O ATOM 17925 C5 U 0 890 121.625 68.449 18.195 1.00737.35 C ATOM 17926 C6 U 0 890 121.855 67.427 17.365 1.00737.35 C ATOM 17927 P A 0 891 118.350 64.063 14.577 1.00737.35 P ATOM 17928 O1P A 0 891 117.731 63.550 13.330 1.00737.35 O ATOM 17929 O2P A 0 891 117.895 65.366 15.138 1.00737.35 O ATOM 17930 O5* A 0 891 118.204 62.959 15.722 1.00737.35 O ATOM 17931 C5* A 0 891 118.512 61.588 15.462 1.00737.35 C ATOM 17932 C4* A 0 891 118.322 60.753 16.713 1.00737.35 C ATOM 17933 O4* A 0 891 119.272 61.167 17.731 1.00737.35 O ATOM 17934 C3* A 0 891 116.965 60.849 17.392 1.00737.35 C ATOM 17935 O3* A 0 891 116.032 59.955 16.799 1.00737.35 O ATOM 17936 C2* A 0 891 117.282 60.456 18.833 1.00737.35 C ATOM 17937 O2* A 0 891 117.297 59.058 19.046 1.00737.35 O ATOM 17938 C1* A 0 891 118.688 61.034 19.015 1.00737.35 C ATOM 17939 N9 A 0 891 118.697 62.348 19.662 1.00737.35 N ATOM 17940 C8 A 0 891 118.509 63.575 19.074 1.00737.35 C ATOM 17941 N7 A 0 891 118.560 64.578 19.913 1.00737.35 N ATOM 17942 C5 A 0 891 118.794 63.975 21.141 1.00737.35 C ATOM 17943 C6 A 0 891 118.946 64.498 22.436 1.00737.35 C ATOM 17944 N6 A 0 891 118.875 65.801 22.722 1.00737.35 N ATOM 17945 N1 A 0 891 119.179 63.627 23.441 1.00737.35 N ATOM 17946 C2 A 0 891 119.241 62.320 23.157 1.00737.35 C ATOM 17947 N3 A 0 891 119.109 61.707 21.982 1.00737.35 N ATOM 17948 C4 A 0 891 118.886 62.602 21.002 1.00737.35 C ATOM 17949 P A 0 892 115.078 56.247 20.001 1.00614.88 P ATOM 17950 O1P A 0 892 114.158 55.137 19.606 1.00614.88 O ATOM 17951 O2P A 0 892 114.544 57.628 20.143 1.00614.88 O ATOM 17952 O5* A 0 892 115.725 55.823 21.396 1.00614.88 O ATOM 17953 C5* A 0 892 116.952 56.394 21.795 1.00614.88 C ATOM 17954 C4* A 0 892 117.426 55.836 23.101 1.00614.88 C ATOM 17955 O4* A 0 892 118.718 56.474 23.314 1.00614.88 O ATOM 17956 C3* A 0 892 116.587 56.196 24.330 1.00614.88 C ATOM 17957 O3* A 0 892 115.662 55.173 24.729 1.00614.88 O ATOM 17958 C2* A 0 892 117.646 56.515 25.379 1.00614.88 C ATOM 17959 O2* A 0 892 118.220 55.362 25.962 1.00614.88 O ATOM 17960 C1* A 0 892 118.690 57.220 24.512 1.00614.88 C ATOM 17961 N9 A 0 892 118.328 58.604 24.185 1.00614.88 N ATOM 17962 C8 A 0 892 117.550 59.062 23.143 1.00614.88 C ATOM 17963 N7 A 0 892 117.376 60.360 23.144 1.00614.88 N ATOM 17964 C5 A 0 892 118.092 60.789 24.252 1.00614.88 C ATOM 17965 C6 A 0 892 118.301 62.058 24.800 1.00614.88 C ATOM 17966 N6 A 0 892 117.784 63.173 24.294 1.00614.88 N ATOM 17967 N1 A 0 892 119.070 62.147 25.901 1.00614.88 N ATOM 17968 C2 A 0 892 119.591 61.029 26.409 1.00614.88 C ATOM 17969 N3 A 0 892 119.468 59.779 25.989 1.00614.88 N ATOM 17970 C4 A 0 892 118.692 59.723 24.894 1.00614.88 C ATOM 17971 P G 0 893 114.292 55.574 25.493 1.00614.88 P ATOM 17972 O1P G 0 893 113.633 54.311 25.910 1.00614.88 O ATOM 17973 O2P G 0 893 113.531 56.557 24.672 1.00614.88 O ATOM 17974 O5* G 0 893 114.759 56.334 26.812 1.00614.88 O ATOM 17975 C5* G 0 893 115.594 55.680 27.771 1.00614.88 C ATOM 17976 C4* G 0 893 116.138 56.678 28.757 1.00614.88 C ATOM 17977 O4* G 0 893 116.935 57.669 28.061 1.00614.88 O ATOM 17978 C3* G 0 893 115.118 57.532 29.475 1.00614.88 C ATOM 17979 O3* G 0 893 114.466 56.826 30.520 1.00614.88 O ATOM 17980 C2* G 0 893 115.982 58.681 29.979 1.00614.88 C ATOM 17981 O2* G 0 893 116.765 58.353 31.108 1.00614.88 O ATOM 17982 C1* G 0 893 116.913 58.889 28.785 1.00614.88 C ATOM 17983 N9 G 0 893 116.445 59.970 27.918 1.00614.88 N ATOM 17984 C8 G 0 893 115.748 59.869 26.737 1.00614.88 C ATOM 17985 N7 G 0 893 115.423 61.030 26.236 1.00614.88 N ATOM 17986 C5 G 0 893 115.946 61.949 27.135 1.00614.88 C ATOM 17987 C6 G 0 893 115.897 63.364 27.132 1.00614.88 C ATOM 17988 O6 G 0 893 115.347 64.116 26.316 1.00614.88 O ATOM 17989 N1 G 0 893 116.569 63.900 28.227 1.00614.88 N ATOM 17990 C2 G 0 893 117.196 63.166 29.201 1.00614.88 C ATOM 17991 N2 G 0 893 117.786 63.858 30.181 1.00614.88 N ATOM 17992 N3 G 0 893 117.241 61.850 29.217 1.00614.88 N ATOM 17993 C4 G 0 893 116.597 61.312 28.163 1.00614.88 C ATOM 17994 P G 0 894 113.136 57.441 31.184 1.00614.88 P ATOM 17995 O1P G 0 894 112.497 56.350 31.971 1.00614.88 O ATOM 17996 O2P G 0 894 112.343 58.173 30.153 1.00614.88 O ATOM 17997 O5* G 0 894 113.709 58.520 32.197 1.00614.88 O ATOM 17998 C5* G 0 894 112.889 59.582 32.667 1.00614.88 C ATOM 17999 C4* G 0 894 113.736 60.583 33.399 1.00614.88 C ATOM 18000 O4* G 0 894 114.775 61.076 32.512 1.00614.88 O ATOM 18001 C3* G 0 894 112.983 61.822 33.826 1.00614.88 C ATOM 18002 O3* G 0 894 112.289 61.605 35.046 1.00614.88 O ATOM 18003 C2* G 0 894 114.086 62.862 33.913 1.00614.88 C ATOM 18004 O2* G 0 894 114.837 62.763 35.107 1.00614.88 O ATOM 18005 C1* G 0 894 114.941 62.478 32.699 1.00614.88 C ATOM 18006 N9 G 0 894 114.496 63.148 31.476 1.00614.88 N ATOM 18007 C8 G 0 894 114.006 62.554 30.333 1.00614.88 C ATOM 18008 N7 G 0 894 113.621 63.415 29.432 1.00614.88 N ATOM 18009 C5 G 0 894 113.885 64.653 30.006 1.00614.88 C ATOM 18010 C6 G 0 894 113.657 65.965 29.508 1.00614.88 C ATOM 18011 O6 G 0 894 113.138 66.310 28.433 1.00614.88 O ATOM 18012 N1 G 0 894 114.088 66.932 30.411 1.00614.88 N ATOM 18013 C2 G 0 894 114.649 66.676 31.635 1.00614.88 C ATOM 18014 N2 G 0 894 115.002 67.747 32.359 1.00614.88 N ATOM 18015 N3 G 0 894 114.852 65.463 32.117 1.00614.88 N ATOM 18016 C4 G 0 894 114.449 64.506 31.256 1.00614.88 C ATOM 18017 P G 0 895 110.732 61.983 35.148 1.00614.88 P ATOM 18018 O1P G 0 895 110.147 61.125 36.213 1.00614.88 O ATOM 18019 O2P G 0 895 110.157 61.946 33.774 1.00614.88 O ATOM 18020 O5* G 0 895 110.750 63.496 35.638 1.00614.88 O ATOM 18021 C5* G 0 895 111.554 64.438 34.941 1.00614.88 C ATOM 18022 C4* G 0 895 111.537 65.780 35.608 1.00614.88 C ATOM 18023 O4* G 0 895 112.491 66.598 34.883 1.00614.88 O ATOM 18024 C3* G 0 895 110.208 66.525 35.545 1.00614.88 C ATOM 18025 O3* G 0 895 109.471 66.367 36.759 1.00614.88 O ATOM 18026 C2* G 0 895 110.634 67.964 35.255 1.00614.88 C ATOM 18027 O2* G 0 895 111.075 68.700 36.385 1.00614.88 O ATOM 18028 C1* G 0 895 111.834 67.721 34.340 1.00614.88 C ATOM 18029 N9 G 0 895 111.478 67.422 32.951 1.00614.88 N ATOM 18030 C8 G 0 895 111.272 66.189 32.371 1.00614.88 C ATOM 18031 N7 G 0 895 110.952 66.266 31.108 1.00614.88 N ATOM 18032 C5 G 0 895 110.958 67.628 30.835 1.00614.88 C ATOM 18033 C6 G 0 895 110.698 68.328 29.632 1.00614.88 C ATOM 18034 O6 G 0 895 110.421 67.871 28.511 1.00614.88 O ATOM 18035 N1 G 0 895 110.798 69.701 29.815 1.00614.88 N ATOM 18036 C2 G 0 895 111.119 70.325 30.994 1.00614.88 C ATOM 18037 N2 G 0 895 111.153 71.666 30.976 1.00614.88 N ATOM 18038 N3 G 0 895 111.381 69.688 32.110 1.00614.88 N ATOM 18039 C4 G 0 895 111.278 68.352 31.962 1.00614.88 C ATOM 18040 P C 0 896 107.860 66.364 36.737 1.00614.88 P ATOM 18041 O1P C 0 896 107.434 66.378 38.157 1.00614.88 O ATOM 18042 O2P C 0 896 107.379 65.283 35.835 1.00614.88 O ATOM 18043 O5* C 0 896 107.459 67.769 36.099 1.00614.88 O ATOM 18044 C5* C 0 896 107.708 69.003 36.799 1.00614.88 C ATOM 18045 C4* C 0 896 107.477 70.176 35.879 1.00614.88 C ATOM 18046 O4* C 0 896 108.427 70.118 34.780 1.00614.88 O ATOM 18047 C3* C 0 896 106.131 70.196 35.174 1.00614.88 C ATOM 18048 O3* C 0 896 105.085 70.715 35.974 1.00614.88 O ATOM 18049 C2* C 0 896 106.416 71.077 33.969 1.00614.88 C ATOM 18050 O2* C 0 896 106.463 72.456 34.286 1.00614.88 O ATOM 18051 C1* C 0 896 107.810 70.595 33.591 1.00614.88 C ATOM 18052 N1 C 0 896 107.748 69.499 32.607 1.00614.88 N ATOM 18053 C2 C 0 896 107.622 69.825 31.249 1.00614.88 C ATOM 18054 O2 C 0 896 107.562 71.024 30.919 1.00614.88 O ATOM 18055 N3 C 0 896 107.566 68.833 30.337 1.00614.88 N ATOM 18056 C4 C 0 896 107.629 67.561 30.729 1.00614.88 C ATOM 18057 N4 C 0 896 107.575 66.615 29.789 1.00614.88 N ATOM 18058 C5 C 0 896 107.754 67.202 32.103 1.00614.88 C ATOM 18059 C6 C 0 896 107.809 68.191 32.998 1.00614.88 C ATOM 18060 P A 0 897 103.579 70.252 35.686 1.00614.88 P ATOM 18061 O1P A 0 897 102.739 71.003 36.663 1.00614.88 O ATOM 18062 O2P A 0 897 103.543 68.765 35.656 1.00614.88 O ATOM 18063 O5* A 0 897 103.264 70.779 34.213 1.00614.88 O ATOM 18064 C5* A 0 897 103.020 72.176 33.968 1.00614.88 C ATOM 18065 C4* A 0 897 102.665 72.409 32.521 1.00614.88 C ATOM 18066 O4* A 0 897 103.765 71.993 31.673 1.00614.88 O ATOM 18067 C3* A 0 897 101.484 71.626 31.968 1.00614.88 C ATOM 18068 O3* A 0 897 100.242 72.223 32.322 1.00614.88 O ATOM 18069 C2* A 0 897 101.742 71.707 30.469 1.00614.88 C ATOM 18070 O2* A 0 897 101.395 72.963 29.927 1.00614.88 O ATOM 18071 C1* A 0 897 103.263 71.563 30.417 1.00614.88 C ATOM 18072 N9 A 0 897 103.681 70.182 30.187 1.00614.88 N ATOM 18073 C8 A 0 897 104.095 69.243 31.103 1.00614.88 C ATOM 18074 N7 A 0 897 104.394 68.083 30.570 1.00614.88 N ATOM 18075 C5 A 0 897 104.168 68.269 29.212 1.00614.88 C ATOM 18076 C6 A 0 897 104.301 67.416 28.097 1.00614.88 C ATOM 18077 N6 A 0 897 104.725 66.154 28.177 1.00614.88 N ATOM 18078 N1 A 0 897 103.984 67.912 26.885 1.00614.88 N ATOM 18079 C2 A 0 897 103.568 69.182 26.800 1.00614.88 C ATOM 18080 N3 A 0 897 103.407 70.084 27.768 1.00614.88 N ATOM 18081 C4 A 0 897 103.727 69.558 28.964 1.00614.88 C ATOM 18082 P C 0 898 98.597 70.167 32.912 1.00614.88 P ATOM 18083 O1P C 0 898 97.333 70.808 33.374 1.00614.88 O ATOM 18084 O2P C 0 898 98.994 68.851 33.466 1.00614.88 O ATOM 18085 O5* C 0 898 98.564 70.074 31.323 1.00614.88 O ATOM 18086 C5* C 0 898 98.111 71.191 30.533 1.00614.88 C ATOM 18087 C4* C 0 898 97.897 70.763 29.099 1.00614.88 C ATOM 18088 O4* C 0 898 99.179 70.543 28.441 1.00614.88 O ATOM 18089 C3* C 0 898 97.164 69.444 28.905 1.00614.88 C ATOM 18090 O3* C 0 898 95.757 69.552 29.058 1.00614.88 O ATOM 18091 C2* C 0 898 97.584 69.039 27.502 1.00614.88 C ATOM 18092 O2* C 0 898 96.870 69.758 26.514 1.00614.88 O ATOM 18093 C1* C 0 898 99.055 69.468 27.511 1.00614.88 C ATOM 18094 N1 C 0 898 99.972 68.384 27.916 1.00614.88 N ATOM 18095 C2 C 0 898 100.481 67.512 26.936 1.00614.88 C ATOM 18096 O2 C 0 898 100.132 67.658 25.762 1.00614.88 O ATOM 18097 N3 C 0 898 101.340 66.531 27.304 1.00614.88 N ATOM 18098 C4 C 0 898 101.681 66.395 28.587 1.00614.88 C ATOM 18099 N4 C 0 898 102.530 65.418 28.908 1.00614.88 N ATOM 18100 C5 C 0 898 101.171 67.258 29.601 1.00614.88 C ATOM 18101 C6 C 0 898 100.328 68.230 29.227 1.00614.88 C ATOM 18102 P G 0 899 94.938 68.301 29.633 1.00614.88 P ATOM 18103 O1P G 0 899 93.498 68.690 29.762 1.00614.88 O ATOM 18104 O2P G 0 899 95.674 67.781 30.812 1.00614.88 O ATOM 18105 O5* G 0 899 95.053 67.219 28.471 1.00614.88 O ATOM 18106 C5* G 0 899 94.475 67.474 27.182 1.00614.88 C ATOM 18107 C4* G 0 899 94.815 66.364 26.214 1.00614.88 C ATOM 18108 O4* G 0 899 96.244 66.343 25.959 1.00614.88 O ATOM 18109 C3* G 0 899 94.529 64.945 26.673 1.00614.88 C ATOM 18110 O3* G 0 899 93.158 64.609 26.575 1.00614.88 O ATOM 18111 C2* G 0 899 95.397 64.143 25.721 1.00614.88 C ATOM 18112 O2* G 0 899 94.838 64.106 24.423 1.00614.88 O ATOM 18113 C1* G 0 899 96.657 65.010 25.692 1.00614.88 C ATOM 18114 N9 G 0 899 97.608 64.600 26.721 1.00614.88 N ATOM 18115 C8 G 0 899 97.821 65.179 27.955 1.00614.88 C ATOM 18116 N7 G 0 899 98.718 64.550 28.661 1.00614.88 N ATOM 18117 C5 G 0 899 99.129 63.499 27.844 1.00614.88 C ATOM 18118 C6 G 0 899 100.092 62.462 28.067 1.00614.88 C ATOM 18119 O6 G 0 899 100.797 62.259 29.072 1.00614.88 O ATOM 18120 N1 G 0 899 100.192 61.613 26.965 1.00614.88 N ATOM 18121 C2 G 0 899 99.469 61.735 25.803 1.00614.88 C ATOM 18122 N2 G 0 899 99.713 60.823 24.852 1.00614.88 N ATOM 18123 N3 G 0 899 98.577 62.683 25.586 1.00614.88 N ATOM 18124 C4 G 0 899 98.457 63.522 26.640 1.00614.88 C ATOM 18125 P U 0 900 92.606 63.309 27.338 1.00614.88 P ATOM 18126 O1P U 0 900 91.121 63.389 27.276 1.00614.88 O ATOM 18127 O2P U 0 900 93.273 63.149 28.651 1.00614.88 O ATOM 18128 O5* U 0 900 93.091 62.099 26.412 1.00614.88 O ATOM 18129 C5* U 0 900 92.774 62.078 25.006 1.00614.88 C ATOM 18130 C4* U 0 900 93.368 60.855 24.336 1.00614.88 C ATOM 18131 O4* U 0 900 94.816 60.922 24.342 1.00614.88 O ATOM 18132 C3* U 0 900 93.070 59.508 24.972 1.00614.88 C ATOM 18133 O3* U 0 900 91.773 59.052 24.609 1.00614.88 O ATOM 18134 C2* U 0 900 94.155 58.629 24.365 1.00614.88 C ATOM 18135 O2* U 0 900 93.849 58.232 23.044 1.00614.88 O ATOM 18136 C1* U 0 900 95.337 59.601 24.316 1.00614.88 C ATOM 18137 N1 U 0 900 96.271 59.424 25.433 1.00614.88 N ATOM 18138 C2 U 0 900 97.198 58.399 25.319 1.00614.88 C ATOM 18139 O2 U 0 900 97.273 57.670 24.345 1.00614.88 O ATOM 18140 N3 U 0 900 98.034 58.254 26.396 1.00614.88 N ATOM 18141 C4 U 0 900 98.040 59.008 27.545 1.00614.88 C ATOM 18142 O4 U 0 900 98.847 58.734 28.430 1.00614.88 O ATOM 18143 C5 U 0 900 97.062 60.051 27.590 1.00614.88 C ATOM 18144 C6 U 0 900 96.234 60.223 26.557 1.00614.88 C ATOM 18145 P A 0 900A 90.928 58.149 25.625 1.00614.88 P ATOM 18146 O1P A 0 900A 89.597 57.895 25.031 1.00614.88 O ATOM 18147 O2P A 0 900A 91.023 58.775 26.980 1.00614.88 O ATOM 18148 O5* A 0 900A 91.706 56.761 25.650 1.00614.88 O ATOM 18149 C5* A 0 900A 91.321 55.741 26.570 1.00614.88 C ATOM 18150 C4* A 0 900A 91.958 54.431 26.191 1.00614.88 C ATOM 18151 O4* A 0 900A 91.357 53.910 24.972 1.00614.88 O ATOM 18152 C3* A 0 900A 93.438 54.507 25.874 1.00614.88 C ATOM 18153 O3* A 0 900A 94.229 54.531 27.053 1.00614.88 O ATOM 18154 C2* A 0 900A 93.628 53.239 25.054 1.00614.88 C ATOM 18155 O2* A 0 900A 93.590 52.106 25.889 1.00614.88 O ATOM 18156 C1* A 0 900A 92.352 53.239 24.205 1.00614.88 C ATOM 18157 N9 A 0 900A 92.515 53.950 22.933 1.00614.88 N ATOM 18158 C8 A 0 900A 92.038 55.195 22.598 1.00614.88 C ATOM 18159 N7 A 0 900A 92.372 55.578 21.391 1.00614.88 N ATOM 18160 C5 A 0 900A 93.116 54.515 20.896 1.00614.88 C ATOM 18161 C6 A 0 900A 93.775 54.310 19.671 1.00614.88 C ATOM 18162 N6 A 0 900A 93.806 55.212 18.686 1.00614.88 N ATOM 18163 N1 A 0 900A 94.422 53.137 19.494 1.00614.88 N ATOM 18164 C2 A 0 900A 94.412 52.246 20.484 1.00614.88 C ATOM 18165 N3 A 0 900A 93.844 52.328 21.679 1.00614.88 N ATOM 18166 C4 A 0 900A 93.203 53.500 21.827 1.00614.88 C ATOM 18167 P A 0 901 95.523 55.484 27.128 1.00614.88 P ATOM 18168 O1P A 0 901 96.134 55.275 28.462 1.00614.88 O ATOM 18169 O2P A 0 901 95.143 56.850 26.703 1.00614.88 O ATOM 18170 O5* A 0 901 96.518 54.877 26.038 1.00614.88 O ATOM 18171 C5* A 0 901 97.066 53.551 26.194 1.00614.88 C ATOM 18172 C4* A 0 901 97.797 53.130 24.949 1.00614.88 C ATOM 18173 O4* A 0 901 96.861 53.005 23.847 1.00614.88 O ATOM 18174 C3* A 0 901 98.832 54.113 24.439 1.00614.88 C ATOM 18175 O3* A 0 901 100.049 53.984 25.147 1.00614.88 O ATOM 18176 C2* A 0 901 98.961 53.688 22.985 1.00614.88 C ATOM 18177 O2* A 0 901 99.733 52.513 22.825 1.00614.88 O ATOM 18178 C1* A 0 901 97.502 53.378 22.641 1.00614.88 C ATOM 18179 N9 A 0 901 96.820 54.555 22.117 1.00614.88 N ATOM 18180 C8 A 0 901 95.853 55.309 22.725 1.00614.88 C ATOM 18181 N7 A 0 901 95.454 56.334 22.013 1.00614.88 N ATOM 18182 C5 A 0 901 96.210 56.245 20.861 1.00614.88 C ATOM 18183 C6 A 0 901 96.263 57.041 19.715 1.00614.88 C ATOM 18184 N6 A 0 901 95.509 58.127 19.532 1.00614.88 N ATOM 18185 N1 A 0 901 97.128 56.679 18.745 1.00614.88 N ATOM 18186 C2 A 0 901 97.876 55.589 18.925 1.00614.88 C ATOM 18187 N3 A 0 901 97.916 54.760 19.956 1.00614.88 N ATOM 18188 C4 A 0 901 97.049 55.150 20.903 1.00614.88 C ATOM 18189 P U 0 902 100.951 55.288 25.439 1.00614.88 P ATOM 18190 O1P U 0 902 101.972 54.845 26.424 1.00614.88 O ATOM 18191 O2P U 0 902 100.065 56.437 25.767 1.00614.88 O ATOM 18192 O5* U 0 902 101.661 55.601 24.048 1.00614.88 O ATOM 18193 C5* U 0 902 102.395 54.577 23.344 1.00614.88 C ATOM 18194 C4* U 0 902 102.560 54.943 21.891 1.00614.88 C ATOM 18195 O4* U 0 902 101.255 55.167 21.283 1.00614.88 O ATOM 18196 C3* U 0 902 103.295 56.236 21.609 1.00614.88 C ATOM 18197 O3* U 0 902 104.701 56.077 21.678 1.00614.88 O ATOM 18198 C2* U 0 902 102.831 56.565 20.202 1.00614.88 C ATOM 18199 O2* U 0 902 103.475 55.781 19.220 1.00614.88 O ATOM 18200 C1* U 0 902 101.364 56.149 20.267 1.00614.88 C ATOM 18201 N1 U 0 902 100.460 57.273 20.572 1.00614.88 N ATOM 18202 C2 U 0 902 100.169 58.161 19.553 1.00614.88 C ATOM 18203 O2 U 0 902 100.615 58.050 18.432 1.00614.88 O ATOM 18204 N3 U 0 902 99.332 59.191 19.901 1.00614.88 N ATOM 18205 C4 U 0 902 98.765 59.423 21.134 1.00614.88 C ATOM 18206 O4 U 0 902 98.073 60.427 21.304 1.00614.88 O ATOM 18207 C5 U 0 902 99.104 58.461 22.128 1.00614.88 C ATOM 18208 C6 U 0 902 99.916 57.445 21.824 1.00614.88 C ATOM 18209 P G 0 903 105.641 57.383 21.696 1.00614.88 P ATOM 18210 O1P G 0 903 107.041 56.950 21.487 1.00614.88 O ATOM 18211 O2P G 0 903 105.285 58.146 22.917 1.00614.88 O ATOM 18212 O5* G 0 903 105.174 58.205 20.415 1.00614.88 O ATOM 18213 C5* G 0 903 105.321 59.641 20.354 1.00614.88 C ATOM 18214 C4* G 0 903 104.002 60.291 19.993 1.00614.88 C ATOM 18215 O4* G 0 903 102.998 59.924 20.971 1.00614.88 O ATOM 18216 C3* G 0 903 104.015 61.812 20.005 1.00614.88 C ATOM 18217 O3* G 0 903 104.449 62.350 18.773 1.00614.88 O ATOM 18218 C2* G 0 903 102.568 62.153 20.319 1.00614.88 C ATOM 18219 O2* G 0 903 101.704 62.060 19.201 1.00614.88 O ATOM 18220 C1* G 0 903 102.237 61.063 21.338 1.00614.88 C ATOM 18221 N9 G 0 903 102.619 61.434 22.703 1.00614.88 N ATOM 18222 C8 G 0 903 103.502 60.764 23.519 1.00614.88 C ATOM 18223 N7 G 0 903 103.659 61.336 24.677 1.00614.88 N ATOM 18224 C5 G 0 903 102.835 62.453 24.634 1.00614.88 C ATOM 18225 C6 G 0 903 102.596 63.466 25.608 1.00614.88 C ATOM 18226 O6 G 0 903 103.084 63.577 26.735 1.00614.88 O ATOM 18227 N1 G 0 903 101.689 64.416 25.151 1.00614.88 N ATOM 18228 C2 G 0 903 101.090 64.401 23.920 1.00614.88 C ATOM 18229 N2 G 0 903 100.250 65.412 23.661 1.00614.88 N ATOM 18230 N3 G 0 903 101.302 63.462 23.004 1.00614.88 N ATOM 18231 C4 G 0 903 102.181 62.528 23.424 1.00614.88 C ATOM 18232 P U 0 904 105.825 63.079 18.749 1.00614.88 P ATOM 18233 O1P U 0 904 106.276 63.230 17.353 1.00614.88 O ATOM 18234 O2P U 0 904 106.800 62.670 19.797 1.00614.88 O ATOM 18235 O5* U 0 904 105.162 64.453 19.199 1.00614.88 O ATOM 18236 C5* U 0 904 104.193 65.104 18.365 1.00614.88 C ATOM 18237 C4* U 0 904 103.604 66.298 19.074 1.00614.88 C ATOM 18238 O4* U 0 904 102.853 65.867 20.242 1.00614.88 O ATOM 18239 C3* U 0 904 104.597 67.295 19.641 1.00614.88 C ATOM 18240 O3* U 0 904 105.135 68.157 18.637 1.00614.88 O ATOM 18241 C2* U 0 904 103.747 68.021 20.678 1.00614.88 C ATOM 18242 O2* U 0 904 102.834 68.939 20.108 1.00614.88 O ATOM 18243 C1* U 0 904 102.944 66.857 21.262 1.00614.88 C ATOM 18244 N1 U 0 904 103.604 66.274 22.441 1.00614.88 N ATOM 18245 C2 U 0 904 103.388 66.879 23.674 1.00614.88 C ATOM 18246 O2 U 0 904 102.638 67.833 23.827 1.00614.88 O ATOM 18247 N3 U 0 904 104.074 66.322 24.720 1.00614.88 N ATOM 18248 C4 U 0 904 104.929 65.242 24.669 1.00614.88 C ATOM 18249 O4 U 0 904 105.526 64.899 25.687 1.00614.88 O ATOM 18250 C5 U 0 904 105.076 64.654 23.376 1.00614.88 C ATOM 18251 C6 U 0 904 104.430 65.175 22.334 1.00614.88 C ATOM 18252 P G 0 905 106.629 68.734 18.798 1.00614.88 P ATOM 18253 O1P G 0 905 106.964 69.425 17.525 1.00614.88 O ATOM 18254 O2P G 0 905 107.532 67.677 19.312 1.00614.88 O ATOM 18255 O5* G 0 905 106.479 69.855 19.919 1.00614.88 O ATOM 18256 C5* G 0 905 105.776 71.080 19.632 1.00614.88 C ATOM 18257 C4* G 0 905 105.849 72.013 20.811 1.00614.88 C ATOM 18258 O4* G 0 905 105.082 71.464 21.904 1.00614.88 O ATOM 18259 C3* G 0 905 107.226 72.222 21.407 1.00614.88 C ATOM 18260 O3* G 0 905 107.987 73.174 20.683 1.00614.88 O ATOM 18261 C2* G 0 905 106.889 72.696 22.810 1.00614.88 C ATOM 18262 O2* G 0 905 106.465 74.043 22.828 1.00614.88 O ATOM 18263 C1* G 0 905 105.701 71.793 23.135 1.00614.88 C ATOM 18264 N9 G 0 905 106.099 70.553 23.798 1.00614.88 N ATOM 18265 C8 G 0 905 106.231 69.303 23.234 1.00614.88 C ATOM 18266 N7 G 0 905 106.617 68.394 24.090 1.00614.88 N ATOM 18267 C5 G 0 905 106.743 69.086 25.290 1.00614.88 C ATOM 18268 C6 G 0 905 107.137 68.631 26.584 1.00614.88 C ATOM 18269 O6 G 0 905 107.471 67.491 26.935 1.00614.88 O ATOM 18270 N1 G 0 905 107.122 69.671 27.519 1.00614.88 N ATOM 18271 C2 G 0 905 106.786 70.977 27.239 1.00614.88 C ATOM 18272 N2 G 0 905 106.848 71.839 28.262 1.00614.88 N ATOM 18273 N3 G 0 905 106.419 71.407 26.041 1.00614.88 N ATOM 18274 C4 G 0 905 106.422 70.417 25.124 1.00614.88 C ATOM 18275 P U 0 906 109.574 72.997 20.584 1.00614.88 P ATOM 18276 O1P U 0 906 110.045 73.990 19.597 1.00614.88 O ATOM 18277 O2P U 0 906 109.863 71.560 20.369 1.00614.88 O ATOM 18278 O5* U 0 906 110.096 73.405 22.028 1.00614.88 O ATOM 18279 C5* U 0 906 109.773 74.685 22.597 1.00614.88 C ATOM 18280 C4* U 0 906 110.127 74.700 24.065 1.00614.88 C ATOM 18281 O4* U 0 906 109.284 73.757 24.779 1.00614.88 O ATOM 18282 C3* U 0 906 111.545 74.260 24.386 1.00614.88 C ATOM 18283 O3* U 0 906 112.447 75.347 24.260 1.00614.88 O ATOM 18284 C2* U 0 906 111.420 73.779 25.821 1.00614.88 C ATOM 18285 O2* U 0 906 111.390 74.852 26.735 1.00614.88 O ATOM 18286 C1* U 0 906 110.043 73.114 25.791 1.00614.88 C ATOM 18287 N1 U 0 906 110.086 71.673 25.492 1.00614.88 N ATOM 18288 C2 U 0 906 110.286 70.801 26.547 1.00614.88 C ATOM 18289 O2 U 0 906 110.431 71.178 27.691 1.00614.88 O ATOM 18290 N3 U 0 906 110.312 69.471 26.207 1.00614.88 N ATOM 18291 C4 U 0 906 110.160 68.933 24.944 1.00614.88 C ATOM 18292 O4 U 0 906 110.164 67.707 24.801 1.00614.88 O ATOM 18293 C5 U 0 906 109.965 69.897 23.906 1.00614.88 C ATOM 18294 C6 U 0 906 109.936 71.200 24.206 1.00614.88 C ATOM 18295 P U 0 907 114.019 75.071 24.099 1.00614.88 P ATOM 18296 O1P U 0 907 114.634 76.418 24.059 1.00614.88 O ATOM 18297 O2P U 0 907 114.265 74.120 22.988 1.00614.88 O ATOM 18298 O5* U 0 907 114.432 74.366 25.465 1.00614.88 O ATOM 18299 C5* U 0 907 114.521 75.130 26.677 1.00614.88 C ATOM 18300 C4* U 0 907 114.733 74.223 27.863 1.00614.88 C ATOM 18301 O4* U 0 907 113.629 73.286 27.983 1.00614.88 O ATOM 18302 C3* U 0 907 115.959 73.324 27.837 1.00614.88 C ATOM 18303 O3* U 0 907 117.142 74.035 28.187 1.00614.88 O ATOM 18304 C2* U 0 907 115.583 72.280 28.883 1.00614.88 C ATOM 18305 O2* U 0 907 115.726 72.776 30.200 1.00614.88 O ATOM 18306 C1* U 0 907 114.096 72.082 28.572 1.00614.88 C ATOM 18307 N1 U 0 907 113.866 70.980 27.627 1.00614.88 N ATOM 18308 C2 U 0 907 113.772 69.692 28.145 1.00614.88 C ATOM 18309 O2 U 0 907 113.846 69.446 29.339 1.00614.88 O ATOM 18310 N3 U 0 907 113.587 68.706 27.209 1.00614.88 N ATOM 18311 C4 U 0 907 113.484 68.867 25.844 1.00614.88 C ATOM 18312 O4 U 0 907 113.322 67.878 25.132 1.00614.88 O ATOM 18313 C5 U 0 907 113.582 70.226 25.391 1.00614.88 C ATOM 18314 C6 U 0 907 113.764 71.207 26.272 1.00614.88 C ATOM 18315 P C 0 909 118.584 73.364 27.936 1.00614.88 P ATOM 18316 O1P C 0 909 119.598 74.379 28.325 1.00614.88 O ATOM 18317 O2P C 0 909 118.642 72.747 26.588 1.00614.88 O ATOM 18318 O5* C 0 909 118.633 72.186 29.002 1.00614.88 O ATOM 18319 C5* C 0 909 118.828 72.465 30.394 1.00614.88 C ATOM 18320 C4* C 0 909 119.017 71.179 31.156 1.00614.88 C ATOM 18321 O4* C 0 909 117.801 70.390 31.068 1.00614.88 O ATOM 18322 C3* C 0 909 120.083 70.238 30.616 1.00614.88 C ATOM 18323 O3* C 0 909 121.400 70.611 31.004 1.00614.88 O ATOM 18324 C2* C 0 909 119.645 68.912 31.210 1.00614.88 C ATOM 18325 O2* C 0 909 119.940 68.825 32.589 1.00614.88 O ATOM 18326 C1* C 0 909 118.130 69.013 31.040 1.00614.88 C ATOM 18327 N1 C 0 909 117.663 68.443 29.765 1.00614.88 N ATOM 18328 C2 C 0 909 117.376 67.073 29.698 1.00614.88 C ATOM 18329 O2 C 0 909 117.550 66.369 30.703 1.00614.88 O ATOM 18330 N3 C 0 909 116.923 66.549 28.538 1.00614.88 N ATOM 18331 C4 C 0 909 116.762 67.331 27.471 1.00614.88 C ATOM 18332 N4 C 0 909 116.303 66.773 26.353 1.00614.88 N ATOM 18333 C5 C 0 909 117.062 68.721 27.504 1.00614.88 C ATOM 18334 C6 C 0 909 117.508 69.233 28.660 1.00614.88 C ATOM 18335 P U 0 910 122.657 70.052 30.171 1.00614.88 P ATOM 18336 O1P U 0 910 123.870 70.649 30.776 1.00614.88 O ATOM 18337 O2P U 0 910 122.401 70.223 28.711 1.00614.88 O ATOM 18338 O5* U 0 910 122.655 68.488 30.475 1.00614.88 O ATOM 18339 C5* U 0 910 123.006 67.989 31.771 1.00614.88 C ATOM 18340 C4* U 0 910 122.966 66.481 31.775 1.00614.88 C ATOM 18341 O4* U 0 910 121.604 66.037 31.532 1.00614.88 O ATOM 18342 C3* U 0 910 123.764 65.793 30.681 1.00614.88 C ATOM 18343 O3* U 0 910 125.153 65.709 30.969 1.00614.88 O ATOM 18344 C2* U 0 910 123.090 64.432 30.598 1.00614.88 C ATOM 18345 O2* U 0 910 123.463 63.530 31.617 1.00614.88 O ATOM 18346 C1* U 0 910 121.624 64.824 30.791 1.00614.88 C ATOM 18347 N1 U 0 910 120.945 65.036 29.503 1.00614.88 N ATOM 18348 C2 U 0 910 120.622 63.908 28.763 1.00614.88 C ATOM 18349 O2 U 0 910 120.868 62.775 29.140 1.00614.88 O ATOM 18350 N3 U 0 910 120.002 64.159 27.565 1.00614.88 N ATOM 18351 C4 U 0 910 119.674 65.389 27.043 1.00614.88 C ATOM 18352 O4 U 0 910 119.103 65.443 25.954 1.00614.88 O ATOM 18353 C5 U 0 910 120.035 66.509 27.865 1.00614.88 C ATOM 18354 C6 U 0 910 120.644 66.300 29.037 1.00614.88 C ATOM 18355 P A 0 911 126.006 65.183 26.643 1.00737.35 P ATOM 18356 O1P A 0 911 125.319 65.927 25.561 1.00737.35 O ATOM 18357 O2P A 0 911 127.490 65.140 26.678 1.00737.35 O ATOM 18358 O5* A 0 911 125.467 63.685 26.621 1.00737.35 O ATOM 18359 C5* A 0 911 125.207 62.981 27.832 1.00737.35 C ATOM 18360 C4* A 0 911 124.784 61.558 27.534 1.00737.35 C ATOM 18361 O4* A 0 911 123.545 61.581 26.779 1.00737.35 O ATOM 18362 C3* A 0 911 125.742 60.755 26.660 1.00737.35 C ATOM 18363 O3* A 0 911 126.777 60.156 27.434 1.00737.35 O ATOM 18364 C2* A 0 911 124.819 59.711 26.049 1.00737.35 C ATOM 18365 O2* A 0 911 124.552 58.628 26.919 1.00737.35 O ATOM 18366 C1* A 0 911 123.544 60.525 25.831 1.00737.35 C ATOM 18367 N9 A 0 911 123.453 61.109 24.491 1.00737.35 N ATOM 18368 C8 A 0 911 123.932 62.324 24.063 1.00737.35 C ATOM 18369 N7 A 0 911 123.685 62.572 22.799 1.00737.35 N ATOM 18370 C5 A 0 911 122.999 61.448 22.365 1.00737.35 C ATOM 18371 C6 A 0 911 122.450 61.097 21.119 1.00737.35 C ATOM 18372 N6 A 0 911 122.509 61.880 20.039 1.00737.35 N ATOM 18373 N1 A 0 911 121.832 59.900 21.019 1.00737.35 N ATOM 18374 C2 A 0 911 121.771 59.120 22.104 1.00737.35 C ATOM 18375 N3 A 0 911 122.243 59.340 23.327 1.00737.35 N ATOM 18376 C4 A 0 911 122.852 60.535 23.394 1.00737.35 C ATOM 18377 P A 0 912 128.217 59.886 26.766 1.00737.35 P ATOM 18378 O1P A 0 912 129.153 59.456 27.835 1.00737.35 O ATOM 18379 O2P A 0 912 128.548 61.069 25.933 1.00737.35 O ATOM 18380 O5* A 0 912 127.962 58.658 25.781 1.00737.35 O ATOM 18381 C5* A 0 912 128.057 57.311 26.243 1.00737.35 C ATOM 18382 C4* A 0 912 128.108 56.355 25.075 1.00737.35 C ATOM 18383 O4* A 0 912 126.849 56.399 24.354 1.00737.35 O ATOM 18384 C3* A 0 912 129.157 56.665 24.018 1.00737.35 C ATOM 18385 O3* A 0 912 130.425 56.137 24.386 1.00737.35 O ATOM 18386 C2* A 0 912 128.592 55.965 22.789 1.00737.35 C ATOM 18387 O2* A 0 912 128.872 54.581 22.760 1.00737.35 O ATOM 18388 C1* A 0 912 127.088 56.192 22.970 1.00737.35 C ATOM 18389 N9 A 0 912 126.577 57.349 22.227 1.00737.35 N ATOM 18390 C8 A 0 912 126.433 58.645 22.659 1.00737.35 C ATOM 18391 N7 A 0 912 125.948 59.456 21.753 1.00737.35 N ATOM 18392 C5 A 0 912 125.758 58.640 20.645 1.00737.35 C ATOM 18393 C6 A 0 912 125.267 58.898 19.352 1.00737.35 C ATOM 18394 N6 A 0 912 124.865 60.102 18.939 1.00737.35 N ATOM 18395 N1 A 0 912 125.203 57.863 18.487 1.00737.35 N ATOM 18396 C2 A 0 912 125.609 56.655 18.902 1.00737.35 C ATOM 18397 N3 A 0 912 126.090 56.289 20.087 1.00737.35 N ATOM 18398 C4 A 0 912 126.140 57.340 20.924 1.00737.35 C ATOM 18399 P A 0 913 131.755 57.006 24.127 1.00737.35 P ATOM 18400 O1P A 0 913 132.923 56.159 24.477 1.00737.35 O ATOM 18401 O2P A 0 913 131.574 58.320 24.802 1.00737.35 O ATOM 18402 O5* A 0 913 131.757 57.251 22.551 1.00737.35 O ATOM 18403 C5* A 0 913 131.956 56.174 21.639 1.00737.35 C ATOM 18404 C4* A 0 913 131.644 56.620 20.227 1.00737.35 C ATOM 18405 O4* A 0 913 130.240 56.987 20.135 1.00737.35 O ATOM 18406 C3* A 0 913 132.384 57.858 19.750 1.00737.35 C ATOM 18407 O3* A 0 913 133.675 57.530 19.248 1.00737.35 O ATOM 18408 C2* A 0 913 131.465 58.384 18.655 1.00737.35 C ATOM 18409 O2* A 0 913 131.621 57.707 17.424 1.00737.35 O ATOM 18410 C1* A 0 913 130.087 58.083 19.247 1.00737.35 C ATOM 18411 N9 A 0 913 129.518 59.209 19.992 1.00737.35 N ATOM 18412 C8 A 0 913 129.601 59.457 21.341 1.00737.35 C ATOM 18413 N7 A 0 913 128.989 60.553 21.717 1.00737.35 N ATOM 18414 C5 A 0 913 128.468 61.065 20.537 1.00737.35 C ATOM 18415 C6 A 0 913 127.711 62.218 20.257 1.00737.35 C ATOM 18416 N6 A 0 913 127.330 63.099 21.186 1.00737.35 N ATOM 18417 N1 A 0 913 127.354 62.437 18.973 1.00737.35 N ATOM 18418 C2 A 0 913 127.735 61.555 18.041 1.00737.35 C ATOM 18419 N3 A 0 913 128.445 60.438 18.179 1.00737.35 N ATOM 18420 C4 A 0 913 128.786 60.247 19.466 1.00737.35 C ATOM 18421 P C 0 914 134.819 58.661 19.196 1.00737.35 P ATOM 18422 O1P C 0 914 136.081 58.017 18.750 1.00737.35 O ATOM 18423 O2P C 0 914 134.789 59.387 20.495 1.00737.35 O ATOM 18424 O5* C 0 914 134.330 59.660 18.052 1.00737.35 O ATOM 18425 C5* C 0 914 134.218 59.221 16.699 1.00737.35 C ATOM 18426 C4* C 0 914 133.733 60.348 15.815 1.00737.35 C ATOM 18427 O4* C 0 914 132.400 60.750 16.222 1.00737.35 O ATOM 18428 C3* C 0 914 134.540 61.637 15.862 1.00737.35 C ATOM 18429 O3* C 0 914 135.674 61.566 15.004 1.00737.35 O ATOM 18430 C2* C 0 914 133.529 62.670 15.375 1.00737.35 C ATOM 18431 O2* C 0 914 133.401 62.707 13.967 1.00737.35 O ATOM 18432 C1* C 0 914 132.233 62.142 15.993 1.00737.35 C ATOM 18433 N1 C 0 914 131.872 62.800 17.266 1.00737.35 N ATOM 18434 C2 C 0 914 131.153 64.006 17.227 1.00737.35 C ATOM 18435 O2 C 0 914 130.846 64.490 16.125 1.00737.35 O ATOM 18436 N3 C 0 914 130.818 64.613 18.386 1.00737.35 N ATOM 18437 C4 C 0 914 131.169 64.066 19.554 1.00737.35 C ATOM 18438 N4 C 0 914 130.812 64.700 20.674 1.00737.35 N ATOM 18439 C5 C 0 914 131.902 62.844 19.625 1.00737.35 C ATOM 18440 C6 C 0 914 132.228 62.252 18.470 1.00737.35 C ATOM 18441 P C 0 915 136.927 62.542 15.255 1.00737.35 P ATOM 18442 O1P C 0 915 137.997 62.177 14.289 1.00737.35 O ATOM 18443 O2P C 0 915 137.219 62.531 16.712 1.00737.35 O ATOM 18444 O5* C 0 915 136.372 63.989 14.873 1.00737.35 O ATOM 18445 C5* C 0 915 136.017 64.307 13.530 1.00737.35 C ATOM 18446 C4* C 0 915 135.553 65.743 13.433 1.00737.35 C ATOM 18447 O4* C 0 915 134.351 65.918 14.229 1.00737.35 O ATOM 18448 C3* C 0 915 136.511 66.792 13.974 1.00737.35 C ATOM 18449 O3* C 0 915 137.500 67.129 13.003 1.00737.35 O ATOM 18450 C2* C 0 915 135.578 67.959 14.273 1.00737.35 C ATOM 18451 O2* C 0 915 135.259 68.725 13.128 1.00737.35 O ATOM 18452 C1* C 0 915 134.329 67.229 14.777 1.00737.35 C ATOM 18453 N1 C 0 915 134.256 67.131 16.248 1.00737.35 N ATOM 18454 C2 C 0 915 133.655 68.177 16.969 1.00737.35 C ATOM 18455 O2 C 0 915 133.195 69.154 16.351 1.00737.35 O ATOM 18456 N3 C 0 915 133.589 68.097 18.318 1.00737.35 N ATOM 18457 C4 C 0 915 134.091 67.037 18.950 1.00737.35 C ATOM 18458 N4 C 0 915 134.005 67.004 20.282 1.00737.35 N ATOM 18459 C5 C 0 915 134.708 65.961 18.247 1.00737.35 C ATOM 18460 C6 C 0 915 134.769 66.048 16.910 1.00737.35 C ATOM 18461 P U 0 916 138.979 67.541 13.479 1.00737.35 P ATOM 18462 O1P U 0 916 139.870 67.515 12.288 1.00737.35 O ATOM 18463 O2P U 0 916 139.324 66.718 14.666 1.00737.35 O ATOM 18464 O5* U 0 916 138.823 69.052 13.958 1.00737.35 O ATOM 18465 C5* U 0 916 138.724 70.115 13.011 1.00737.35 C ATOM 18466 C4* U 0 916 138.654 71.449 13.719 1.00737.35 C ATOM 18467 O4* U 0 916 137.415 71.539 14.469 1.00737.35 O ATOM 18468 C3* U 0 916 139.738 71.718 14.753 1.00737.35 C ATOM 18469 O3* U 0 916 140.928 72.200 14.139 1.00737.35 O ATOM 18470 C2* U 0 916 139.082 72.773 15.637 1.00737.35 C ATOM 18471 O2* U 0 916 139.153 74.075 15.088 1.00737.35 O ATOM 18472 C1* U 0 916 137.625 72.299 15.651 1.00737.35 C ATOM 18473 N1 U 0 916 137.281 71.466 16.817 1.00737.35 N ATOM 18474 C2 U 0 916 136.821 72.105 17.959 1.00737.35 C ATOM 18475 O2 U 0 916 136.696 73.318 18.041 1.00737.35 O ATOM 18476 N3 U 0 916 136.512 71.272 19.004 1.00737.35 N ATOM 18477 C4 U 0 916 136.614 69.895 19.032 1.00737.35 C ATOM 18478 O4 U 0 916 136.291 69.284 20.052 1.00737.35 O ATOM 18479 C5 U 0 916 137.100 69.307 17.820 1.00737.35 C ATOM 18480 C6 U 0 916 137.410 70.092 16.781 1.00737.35 C ATOM 18481 P U 0 917 142.356 71.907 14.821 1.00737.35 P ATOM 18482 O1P U 0 917 143.398 72.356 13.860 1.00737.35 O ATOM 18483 O2P U 0 917 142.370 70.505 15.314 1.00737.35 O ATOM 18484 O5* U 0 917 142.389 72.878 16.081 1.00737.35 O ATOM 18485 C5* U 0 917 142.499 74.290 15.916 1.00737.35 C ATOM 18486 C4* U 0 917 142.337 74.992 17.244 1.00737.35 C ATOM 18487 O4* U 0 917 141.001 74.747 17.757 1.00737.35 O ATOM 18488 C3* U 0 917 143.258 74.532 18.363 1.00737.35 C ATOM 18489 O3* U 0 917 144.527 75.172 18.283 1.00737.35 O ATOM 18490 C2* U 0 917 142.484 74.959 19.605 1.00737.35 C ATOM 18491 O2* U 0 917 142.644 76.330 19.916 1.00737.35 O ATOM 18492 C1* U 0 917 141.040 74.689 19.175 1.00737.35 C ATOM 18493 N1 U 0 917 140.531 73.380 19.614 1.00737.35 N ATOM 18494 C2 U 0 917 139.989 73.291 20.891 1.00737.35 C ATOM 18495 O2 U 0 917 139.910 74.244 21.649 1.00737.35 O ATOM 18496 N3 U 0 917 139.543 72.041 21.247 1.00737.35 N ATOM 18497 C4 U 0 917 139.579 70.895 20.479 1.00737.35 C ATOM 18498 O4 U 0 917 139.155 69.839 20.952 1.00737.35 O ATOM 18499 C5 U 0 917 140.142 71.067 19.176 1.00737.35 C ATOM 18500 C6 U 0 917 140.588 72.269 18.797 1.00737.35 C ATOM 18501 P A 0 918 145.849 74.387 18.759 1.00737.35 P ATOM 18502 O1P A 0 918 146.997 75.315 18.591 1.00737.35 O ATOM 18503 O2P A 0 918 145.877 73.062 18.090 1.00737.35 O ATOM 18504 O5* A 0 918 145.624 74.154 20.321 1.00737.35 O ATOM 18505 C5* A 0 918 145.568 75.256 21.227 1.00737.35 C ATOM 18506 C4* A 0 918 144.967 74.824 22.543 1.00737.35 C ATOM 18507 O4* A 0 918 143.621 74.324 22.307 1.00737.35 O ATOM 18508 C3* A 0 918 145.668 73.679 23.262 1.00737.35 C ATOM 18509 O3* A 0 918 146.760 74.150 24.048 1.00737.35 O ATOM 18510 C2* A 0 918 144.546 73.120 24.127 1.00737.35 C ATOM 18511 O2* A 0 918 144.314 73.878 25.296 1.00737.35 O ATOM 18512 C1* A 0 918 143.352 73.236 23.179 1.00737.35 C ATOM 18513 N9 A 0 918 143.151 72.029 22.372 1.00737.35 N ATOM 18514 C8 A 0 918 143.242 71.898 21.005 1.00737.35 C ATOM 18515 N7 A 0 918 143.016 70.682 20.575 1.00737.35 N ATOM 18516 C5 A 0 918 142.755 69.961 21.732 1.00737.35 C ATOM 18517 C6 A 0 918 142.443 68.607 21.954 1.00737.35 C ATOM 18518 N6 A 0 918 142.335 67.701 20.979 1.00737.35 N ATOM 18519 N1 A 0 918 142.242 68.210 23.231 1.00737.35 N ATOM 18520 C2 A 0 918 142.352 69.119 24.207 1.00737.35 C ATOM 18521 N3 A 0 918 142.640 70.416 24.127 1.00737.35 N ATOM 18522 C4 A 0 918 142.832 70.778 22.844 1.00737.35 C ATOM 18523 P U 0 919 148.076 73.237 24.225 1.00737.35 P ATOM 18524 O1P U 0 919 149.157 74.133 24.710 1.00737.35 O ATOM 18525 O2P U 0 919 148.284 72.443 22.986 1.00737.35 O ATOM 18526 O5* U 0 919 147.710 72.233 25.411 1.00737.35 O ATOM 18527 C5* U 0 919 146.707 71.231 25.246 1.00737.35 C ATOM 18528 C4* U 0 919 145.920 71.066 26.528 1.00737.35 C ATOM 18529 O4* U 0 919 144.736 70.266 26.271 1.00737.35 O ATOM 18530 C3* U 0 919 146.633 70.337 27.654 1.00737.35 C ATOM 18531 O3* U 0 919 147.469 71.222 28.392 1.00737.35 O ATOM 18532 C2* U 0 919 145.469 69.827 28.498 1.00737.35 C ATOM 18533 O2* U 0 919 144.947 70.807 29.373 1.00737.35 O ATOM 18534 C1* U 0 919 144.428 69.495 27.421 1.00737.35 C ATOM 18535 N1 U 0 919 144.383 68.073 27.044 1.00737.35 N ATOM 18536 C2 U 0 919 143.603 67.222 27.817 1.00737.35 C ATOM 18537 O2 U 0 919 142.969 67.599 28.793 1.00737.35 O ATOM 18538 N3 U 0 919 143.595 65.911 27.408 1.00737.35 N ATOM 18539 C4 U 0 919 144.268 65.371 26.331 1.00737.35 C ATOM 18540 O4 U 0 919 144.142 64.172 26.074 1.00737.35 O ATOM 18541 C5 U 0 919 145.055 66.308 25.588 1.00737.35 C ATOM 18542 C6 U 0 919 145.085 67.592 25.959 1.00737.35 C ATOM 18543 P G 0 920 148.853 70.681 29.008 1.00737.35 P ATOM 18544 O1P G 0 920 149.419 71.773 29.840 1.00737.35 O ATOM 18545 O2P G 0 920 149.663 70.109 27.899 1.00737.35 O ATOM 18546 O5* G 0 920 148.404 69.502 29.979 1.00737.35 O ATOM 18547 C5* G 0 920 149.254 68.379 30.212 1.00737.35 C ATOM 18548 C4* G 0 920 148.753 67.580 31.392 1.00737.35 C ATOM 18549 O4* G 0 920 147.366 67.204 31.172 1.00737.35 O ATOM 18550 C3* G 0 920 149.467 66.260 31.630 1.00737.35 C ATOM 18551 O3* G 0 920 150.655 66.453 32.389 1.00737.35 O ATOM 18552 C2* G 0 920 148.422 65.456 32.395 1.00737.35 C ATOM 18553 O2* G 0 920 148.371 65.777 33.770 1.00737.35 O ATOM 18554 C1* G 0 920 147.132 65.909 31.707 1.00737.35 C ATOM 18555 N9 G 0 920 146.709 65.029 30.618 1.00737.35 N ATOM 18556 C8 G 0 920 146.884 65.235 29.269 1.00737.35 C ATOM 18557 N7 G 0 920 146.397 64.271 28.536 1.00737.35 N ATOM 18558 C5 G 0 920 145.869 63.374 29.454 1.00737.35 C ATOM 18559 C6 G 0 920 145.210 62.135 29.250 1.00737.35 C ATOM 18560 O6 G 0 920 144.948 61.564 28.184 1.00737.35 O ATOM 18561 N1 G 0 920 144.842 61.548 30.456 1.00737.35 N ATOM 18562 C2 G 0 920 145.075 62.083 31.699 1.00737.35 C ATOM 18563 N2 G 0 920 144.640 61.361 32.744 1.00737.35 N ATOM 18564 N3 G 0 920 145.685 63.238 31.902 1.00737.35 N ATOM 18565 C4 G 0 920 146.055 63.825 30.743 1.00737.35 C ATOM 18566 P A 0 921 151.911 65.471 32.171 1.00737.35 P ATOM 18567 O1P A 0 921 153.014 65.964 33.037 1.00737.35 O ATOM 18568 O2P A 0 921 152.141 65.313 30.711 1.00737.35 O ATOM 18569 O5* A 0 921 151.408 64.073 32.748 1.00737.35 O ATOM 18570 C5* A 0 921 151.227 63.878 34.149 1.00737.35 C ATOM 18571 C4* A 0 921 150.728 62.481 34.427 1.00737.35 C ATOM 18572 O4* A 0 921 149.398 62.321 33.866 1.00737.35 O ATOM 18573 C3* A 0 921 151.531 61.354 33.797 1.00737.35 C ATOM 18574 O3* A 0 921 152.658 61.014 34.598 1.00737.35 O ATOM 18575 C2* A 0 921 150.513 60.221 33.750 1.00737.35 C ATOM 18576 O2* A 0 921 150.372 59.549 34.986 1.00737.35 O ATOM 18577 C1* A 0 921 149.223 60.981 33.428 1.00737.35 C ATOM 18578 N9 A 0 921 148.897 60.993 32.000 1.00737.35 N ATOM 18579 C8 A 0 921 149.233 61.934 31.055 1.00737.35 C ATOM 18580 N7 A 0 921 148.791 61.657 29.853 1.00737.35 N ATOM 18581 C5 A 0 921 148.123 60.451 30.013 1.00737.35 C ATOM 18582 C6 A 0 921 147.430 59.625 29.110 1.00737.35 C ATOM 18583 N6 A 0 921 147.296 59.900 27.809 1.00737.35 N ATOM 18584 N1 A 0 921 146.876 58.492 29.593 1.00737.35 N ATOM 18585 C2 A 0 921 147.013 58.215 30.895 1.00737.35 C ATOM 18586 N3 A 0 921 147.636 58.911 31.842 1.00737.35 N ATOM 18587 C4 A 0 921 148.178 60.032 31.331 1.00737.35 C ATOM 18588 P A 0 922 154.128 60.997 33.945 1.00737.35 P ATOM 18589 O1P A 0 922 154.837 62.214 34.422 1.00737.35 O ATOM 18590 O2P A 0 922 154.008 60.745 32.487 1.00737.35 O ATOM 18591 O5* A 0 922 154.828 59.728 34.608 1.00737.35 O ATOM 18592 C5* A 0 922 154.882 59.575 36.023 1.00737.35 C ATOM 18593 C4* A 0 922 155.165 58.134 36.380 1.00737.35 C ATOM 18594 O4* A 0 922 155.297 58.017 37.820 1.00737.35 O ATOM 18595 C3* A 0 922 154.067 57.145 36.019 1.00737.35 C ATOM 18596 O3* A 0 922 154.197 56.710 34.667 1.00737.35 O ATOM 18597 C2* A 0 922 154.319 56.011 37.003 1.00737.35 C ATOM 18598 O2* A 0 922 155.362 55.146 36.590 1.00737.35 O ATOM 18599 C1* A 0 922 154.751 56.782 38.253 1.00737.35 C ATOM 18600 N9 A 0 922 153.649 57.065 39.177 1.00737.35 N ATOM 18601 C8 A 0 922 152.679 58.034 39.067 1.00737.35 C ATOM 18602 N7 A 0 922 151.823 58.041 40.059 1.00737.35 N ATOM 18603 C5 A 0 922 152.254 57.007 40.879 1.00737.35 C ATOM 18604 C6 A 0 922 151.770 56.500 42.098 1.00737.35 C ATOM 18605 N6 A 0 922 150.695 56.988 42.727 1.00737.35 N ATOM 18606 N1 A 0 922 152.430 55.462 42.656 1.00737.35 N ATOM 18607 C2 A 0 922 153.505 54.977 42.024 1.00737.35 C ATOM 18608 N3 A 0 922 154.060 55.366 40.878 1.00737.35 N ATOM 18609 C4 A 0 922 153.379 56.398 40.350 1.00737.35 C ATOM 18610 P A 0 923 152.882 56.361 33.809 1.00737.35 P ATOM 18611 O1P A 0 923 153.334 55.984 32.445 1.00737.35 O ATOM 18612 O2P A 0 923 151.902 57.462 33.977 1.00737.35 O ATOM 18613 O5* A 0 923 152.292 55.058 34.517 1.00737.35 O ATOM 18614 C5* A 0 923 152.936 53.795 34.385 1.00737.35 C ATOM 18615 C4* A 0 923 152.234 52.753 35.228 1.00737.35 C ATOM 18616 O4* A 0 923 152.323 53.134 36.627 1.00737.35 O ATOM 18617 C3* A 0 923 150.743 52.585 34.979 1.00737.35 C ATOM 18618 O3* A 0 923 150.500 51.696 33.892 1.00737.35 O ATOM 18619 C2* A 0 923 150.259 51.994 36.298 1.00737.35 C ATOM 18620 O2* A 0 923 150.476 50.600 36.399 1.00737.35 O ATOM 18621 C1* A 0 923 151.146 52.730 37.308 1.00737.35 C ATOM 18622 N9 A 0 923 150.511 53.916 37.888 1.00737.35 N ATOM 18623 C8 A 0 923 150.459 55.189 37.373 1.00737.35 C ATOM 18624 N7 A 0 923 149.810 56.040 38.130 1.00737.35 N ATOM 18625 C5 A 0 923 149.410 55.277 39.220 1.00737.35 C ATOM 18626 C6 A 0 923 148.682 55.595 40.380 1.00737.35 C ATOM 18627 N6 A 0 923 148.208 56.816 40.645 1.00737.35 N ATOM 18628 N1 A 0 923 148.452 54.605 41.268 1.00737.35 N ATOM 18629 C2 A 0 923 148.927 53.381 41.000 1.00737.35 C ATOM 18630 N3 A 0 923 149.623 52.959 39.947 1.00737.35 N ATOM 18631 C4 A 0 923 149.835 53.969 39.083 1.00737.35 C ATOM 18632 P C 0 924 149.127 51.802 33.061 1.00737.35 P ATOM 18633 O1P C 0 924 148.031 52.078 34.025 1.00737.35 O ATOM 18634 O2P C 0 924 149.038 50.617 32.171 1.00737.35 O ATOM 18635 O5* C 0 924 149.318 53.099 32.152 1.00737.35 O ATOM 18636 C5* C 0 924 150.310 53.136 31.129 1.00737.35 C ATOM 18637 C4* C 0 924 149.727 53.712 29.858 1.00737.35 C ATOM 18638 O4* C 0 924 149.240 55.056 30.118 1.00737.35 O ATOM 18639 C3* C 0 924 150.707 53.889 28.710 1.00737.35 C ATOM 18640 O3* C 0 924 150.857 52.681 27.972 1.00737.35 O ATOM 18641 C2* C 0 924 150.031 54.970 27.874 1.00737.35 C ATOM 18642 O2* C 0 924 149.013 54.467 27.032 1.00737.35 O ATOM 18643 C1* C 0 924 149.415 55.856 28.959 1.00737.35 C ATOM 18644 N1 C 0 924 150.241 57.034 29.303 1.00737.35 N ATOM 18645 C2 C 0 924 150.274 58.119 28.409 1.00737.35 C ATOM 18646 O2 C 0 924 149.618 58.053 27.354 1.00737.35 O ATOM 18647 N3 C 0 924 151.017 59.205 28.719 1.00737.35 N ATOM 18648 C4 C 0 924 151.713 59.239 29.855 1.00737.35 C ATOM 18649 N4 C 0 924 152.429 60.337 30.111 1.00737.35 N ATOM 18650 C5 C 0 924 151.704 58.153 30.779 1.00737.35 C ATOM 18651 C6 C 0 924 150.962 57.081 30.465 1.00737.35 C ATOM 18652 P U 0 925 152.297 52.280 27.382 1.00737.35 P ATOM 18653 O1P U 0 925 152.094 51.110 26.491 1.00737.35 O ATOM 18654 O2P U 0 925 153.252 52.181 28.515 1.00737.35 O ATOM 18655 O5* U 0 925 152.715 53.532 26.488 1.00737.35 O ATOM 18656 C5* U 0 925 152.113 53.765 25.214 1.00737.35 C ATOM 18657 C4* U 0 925 152.906 54.795 24.442 1.00737.35 C ATOM 18658 O4* U 0 925 152.811 56.070 25.126 1.00737.35 O ATOM 18659 C3* U 0 925 154.404 54.536 24.320 1.00737.35 C ATOM 18660 O3* U 0 925 154.719 53.742 23.173 1.00737.35 O ATOM 18661 C2* U 0 925 154.963 55.938 24.099 1.00737.35 C ATOM 18662 O2* U 0 925 154.924 56.344 22.744 1.00737.35 O ATOM 18663 C1* U 0 925 153.999 56.809 24.908 1.00737.35 C ATOM 18664 N1 U 0 925 154.516 57.297 26.198 1.00737.35 N ATOM 18665 C2 U 0 925 155.539 58.235 26.166 1.00737.35 C ATOM 18666 O2 U 0 925 156.043 58.635 25.126 1.00737.35 O ATOM 18667 N3 U 0 925 155.952 58.684 27.394 1.00737.35 N ATOM 18668 C4 U 0 925 155.465 58.305 28.627 1.00737.35 C ATOM 18669 O4 U 0 925 155.890 58.865 29.640 1.00737.35 O ATOM 18670 C5 U 0 925 154.430 57.321 28.582 1.00737.35 C ATOM 18671 C6 U 0 925 154.001 56.861 27.401 1.00737.35 C ATOM 18672 P C 0 926 154.266 52.198 23.098 1.00737.35 P ATOM 18673 O1P C 0 926 153.879 51.739 24.455 1.00737.35 O ATOM 18674 O2P C 0 926 155.314 51.456 22.352 1.00737.35 O ATOM 18675 O5* C 0 926 152.953 52.263 22.196 1.00737.35 O ATOM 18676 C5* C 0 926 152.863 51.541 20.968 1.00737.35 C ATOM 18677 C4* C 0 926 153.015 52.479 19.785 1.00737.35 C ATOM 18678 O4* C 0 926 151.979 53.497 19.830 1.00737.35 O ATOM 18679 C3* C 0 926 154.308 53.277 19.709 1.00737.35 C ATOM 18680 O3* C 0 926 155.346 52.504 19.108 1.00737.35 O ATOM 18681 C2* C 0 926 153.916 54.442 18.807 1.00737.35 C ATOM 18682 O2* C 0 926 153.965 54.122 17.431 1.00737.35 O ATOM 18683 C1* C 0 926 152.462 54.686 19.220 1.00737.35 C ATOM 18684 N1 C 0 926 152.267 55.831 20.141 1.00737.35 N ATOM 18685 C2 C 0 926 152.608 57.126 19.703 1.00737.35 C ATOM 18686 O2 C 0 926 153.070 57.276 18.558 1.00737.35 O ATOM 18687 N3 C 0 926 152.426 58.176 20.535 1.00737.35 N ATOM 18688 C4 C 0 926 151.925 57.979 21.757 1.00737.35 C ATOM 18689 N4 C 0 926 151.763 59.045 22.543 1.00737.35 N ATOM 18690 C5 C 0 926 151.568 56.683 22.226 1.00737.35 C ATOM 18691 C6 C 0 926 151.756 55.647 21.397 1.00737.35 C ATOM 18692 P C 0 927 156.887 52.809 19.465 1.00737.35 P ATOM 18693 O1P C 0 927 157.718 52.044 18.499 1.00737.35 O ATOM 18694 O2P C 0 927 157.091 52.608 20.922 1.00737.35 O ATOM 18695 O5* C 0 927 157.078 54.362 19.155 1.00737.35 O ATOM 18696 C5* C 0 927 156.945 54.876 17.832 1.00737.35 C ATOM 18697 C4* C 0 927 157.659 56.201 17.710 1.00737.35 C ATOM 18698 O4* C 0 927 157.129 57.121 18.704 1.00737.35 O ATOM 18699 C3* C 0 927 159.156 56.166 17.988 1.00737.35 C ATOM 18700 O3* C 0 927 159.873 55.812 16.810 1.00737.35 O ATOM 18701 C2* C 0 927 159.440 57.602 18.411 1.00737.35 C ATOM 18702 O2* C 0 927 159.578 58.488 17.316 1.00737.35 O ATOM 18703 C1* C 0 927 158.171 57.948 19.198 1.00737.35 C ATOM 18704 N1 C 0 927 158.292 57.742 20.658 1.00737.35 N ATOM 18705 C2 C 0 927 158.834 58.773 21.451 1.00737.35 C ATOM 18706 O2 C 0 927 159.208 59.828 20.909 1.00737.35 O ATOM 18707 N3 C 0 927 158.937 58.590 22.787 1.00737.35 N ATOM 18708 C4 C 0 927 158.529 57.445 23.339 1.00737.35 C ATOM 18709 N4 C 0 927 158.645 57.316 24.663 1.00737.35 N ATOM 18710 C5 C 0 927 157.987 56.383 22.561 1.00737.35 C ATOM 18711 C6 C 0 927 157.886 56.571 21.238 1.00737.35 C ATOM 18712 P G 0 928 161.167 54.857 16.912 1.00737.35 P ATOM 18713 O1P G 0 928 161.642 54.610 15.527 1.00737.35 O ATOM 18714 O2P G 0 928 160.835 53.705 17.788 1.00737.35 O ATOM 18715 O5* G 0 928 162.255 55.753 17.657 1.00737.35 O ATOM 18716 C5* G 0 928 162.714 56.978 17.089 1.00737.35 C ATOM 18717 C4* G 0 928 163.244 57.890 18.170 1.00737.35 C ATOM 18718 O4* G 0 928 162.177 58.156 19.120 1.00737.35 O ATOM 18719 C3* G 0 928 164.379 57.327 19.017 1.00737.35 C ATOM 18720 O3* G 0 928 165.639 57.569 18.393 1.00737.35 O ATOM 18721 C2* G 0 928 164.214 58.091 20.324 1.00737.35 C ATOM 18722 O2* G 0 928 164.753 59.397 20.282 1.00737.35 O ATOM 18723 C1* G 0 928 162.693 58.161 20.440 1.00737.35 C ATOM 18724 N9 G 0 928 162.116 57.028 21.163 1.00737.35 N ATOM 18725 C8 G 0 928 161.600 55.875 20.624 1.00737.35 C ATOM 18726 N7 G 0 928 161.162 55.036 21.524 1.00737.35 N ATOM 18727 C5 G 0 928 161.402 55.676 22.732 1.00737.35 C ATOM 18728 C6 G 0 928 161.137 55.256 24.061 1.00737.35 C ATOM 18729 O6 G 0 928 160.620 54.201 24.448 1.00737.35 O ATOM 18730 N1 G 0 928 161.541 56.211 24.988 1.00737.35 N ATOM 18731 C2 G 0 928 162.124 57.416 24.678 1.00737.35 C ATOM 18732 N2 G 0 928 162.443 58.200 25.716 1.00737.35 N ATOM 18733 N3 G 0 928 162.375 57.820 23.446 1.00737.35 N ATOM 18734 C4 G 0 928 161.990 56.906 22.527 1.00737.35 C ATOM 18735 P A 0 929 166.991 57.030 19.084 1.00737.35 P ATOM 18736 O1P A 0 929 168.128 57.360 18.187 1.00737.35 O ATOM 18737 O2P A 0 929 166.766 55.621 19.495 1.00737.35 O ATOM 18738 O5* A 0 929 167.116 57.921 20.400 1.00737.35 O ATOM 18739 C5* A 0 929 168.326 57.968 21.150 1.00737.35 C ATOM 18740 C4* A 0 929 168.783 59.399 21.301 1.00737.35 C ATOM 18741 O4* A 0 929 167.705 60.195 21.864 1.00737.35 O ATOM 18742 C3* A 0 929 169.953 59.634 22.241 1.00737.35 C ATOM 18743 O3* A 0 929 171.193 59.375 21.585 1.00737.35 O ATOM 18744 C2* A 0 929 169.769 61.101 22.612 1.00737.35 C ATOM 18745 O2* A 0 929 170.246 61.991 21.622 1.00737.35 O ATOM 18746 C1* A 0 929 168.244 61.199 22.709 1.00737.35 C ATOM 18747 N9 A 0 929 167.731 60.994 24.066 1.00737.35 N ATOM 18748 C8 A 0 929 166.894 59.999 24.514 1.00737.35 C ATOM 18749 N7 A 0 929 166.612 60.080 25.790 1.00737.35 N ATOM 18750 C5 A 0 929 167.307 61.201 26.216 1.00737.35 C ATOM 18751 C6 A 0 929 167.422 61.823 27.471 1.00737.35 C ATOM 18752 N6 A 0 929 166.814 61.382 28.575 1.00737.35 N ATOM 18753 N1 A 0 929 168.193 62.928 27.557 1.00737.35 N ATOM 18754 C2 A 0 929 168.803 63.369 26.450 1.00737.35 C ATOM 18755 N3 A 0 929 168.773 62.874 25.215 1.00737.35 N ATOM 18756 C4 A 0 929 167.999 61.776 25.164 1.00737.35 C ATOM 18757 P A 0 930 172.587 59.610 22.359 1.00737.35 P ATOM 18758 O1P A 0 930 172.639 61.019 22.822 1.00737.35 O ATOM 18759 O2P A 0 930 173.654 59.100 21.462 1.00737.35 O ATOM 18760 O5* A 0 930 172.541 58.648 23.635 1.00737.35 O ATOM 18761 C5* A 0 930 171.554 58.791 24.661 1.00737.35 C ATOM 18762 C4* A 0 930 171.717 60.110 25.382 1.00737.35 C ATOM 18763 O4* A 0 930 170.736 60.202 26.448 1.00737.35 O ATOM 18764 C3* A 0 930 173.034 60.337 26.104 1.00737.35 C ATOM 18765 O3* A 0 930 174.049 60.780 25.205 1.00737.35 O ATOM 18766 C2* A 0 930 172.662 61.446 27.087 1.00737.35 C ATOM 18767 O2* A 0 930 172.675 62.733 26.503 1.00737.35 O ATOM 18768 C1* A 0 930 171.225 61.064 27.463 1.00737.35 C ATOM 18769 N9 A 0 930 171.112 60.398 28.769 1.00737.35 N ATOM 18770 C8 A 0 930 171.873 60.667 29.880 1.00737.35 C ATOM 18771 N7 A 0 930 171.549 59.955 30.931 1.00737.35 N ATOM 18772 C5 A 0 930 170.507 59.158 30.483 1.00737.35 C ATOM 18773 C6 A 0 930 169.730 58.185 31.126 1.00737.35 C ATOM 18774 N6 A 0 930 169.888 57.860 32.409 1.00737.35 N ATOM 18775 N1 A 0 930 168.772 57.556 30.406 1.00737.35 N ATOM 18776 C2 A 0 930 168.615 57.908 29.121 1.00737.35 C ATOM 18777 N3 A 0 930 169.282 58.818 28.404 1.00737.35 N ATOM 18778 C4 A 0 930 170.226 59.414 29.152 1.00737.35 C ATOM 18779 P G 0 931 175.426 59.952 25.069 1.00737.35 P ATOM 18780 O1P G 0 931 176.529 60.927 24.879 1.00737.35 O ATOM 18781 O2P G 0 931 175.207 58.888 24.060 1.00737.35 O ATOM 18782 O5* G 0 931 175.621 59.246 26.487 1.00737.35 O ATOM 18783 C5* G 0 931 175.883 60.006 27.664 1.00737.35 C ATOM 18784 C4* G 0 931 175.455 59.232 28.889 1.00737.35 C ATOM 18785 O4* G 0 931 174.033 58.945 28.789 1.00737.35 O ATOM 18786 C3* G 0 931 176.100 57.864 29.062 1.00737.35 C ATOM 18787 O3* G 0 931 177.359 57.960 29.725 1.00737.35 O ATOM 18788 C2* G 0 931 175.068 57.129 29.905 1.00737.35 C ATOM 18789 O2* G 0 931 175.126 57.464 31.277 1.00737.35 O ATOM 18790 C1* G 0 931 173.765 57.649 29.299 1.00737.35 C ATOM 18791 N9 G 0 931 173.273 56.814 28.203 1.00737.35 N ATOM 18792 C8 G 0 931 173.399 57.052 26.856 1.00737.35 C ATOM 18793 N7 G 0 931 172.859 56.119 26.117 1.00737.35 N ATOM 18794 C5 G 0 931 172.347 55.210 27.033 1.00737.35 C ATOM 18795 C6 G 0 931 171.651 53.992 26.823 1.00737.35 C ATOM 18796 O6 G 0 931 171.337 53.458 25.753 1.00737.35 O ATOM 18797 N1 G 0 931 171.316 53.382 28.027 1.00737.35 N ATOM 18798 C2 G 0 931 171.609 53.880 29.273 1.00737.35 C ATOM 18799 N2 G 0 931 171.198 53.143 30.317 1.00737.35 N ATOM 18800 N3 G 0 931 172.253 55.015 29.483 1.00737.35 N ATOM 18801 C4 G 0 931 172.592 55.625 28.324 1.00737.35 C ATOM 18802 P G 0 932 178.467 56.816 29.502 1.00737.35 P ATOM 18803 O1P G 0 932 179.635 57.161 30.352 1.00737.35 O ATOM 18804 O2P G 0 932 178.656 56.621 28.041 1.00737.35 O ATOM 18805 O5* G 0 932 177.792 55.499 30.096 1.00737.35 O ATOM 18806 C5* G 0 932 177.416 55.425 31.470 1.00737.35 C ATOM 18807 C4* G 0 932 176.602 54.177 31.731 1.00737.35 C ATOM 18808 O4* G 0 932 175.390 54.212 30.934 1.00737.35 O ATOM 18809 C3* G 0 932 177.258 52.860 31.350 1.00737.35 C ATOM 18810 O3* G 0 932 178.126 52.408 32.385 1.00737.35 O ATOM 18811 C2* G 0 932 176.053 51.938 31.175 1.00737.35 C ATOM 18812 O2* G 0 932 175.554 51.440 32.401 1.00737.35 O ATOM 18813 C1* G 0 932 175.030 52.892 30.555 1.00737.35 C ATOM 18814 N9 G 0 932 174.974 52.822 29.096 1.00737.35 N ATOM 18815 C8 G 0 932 175.634 53.627 28.196 1.00737.35 C ATOM 18816 N7 G 0 932 175.379 53.323 26.952 1.00737.35 N ATOM 18817 C5 G 0 932 174.500 52.251 27.032 1.00737.35 C ATOM 18818 C6 G 0 932 173.872 51.497 26.004 1.00737.35 C ATOM 18819 O6 G 0 932 173.970 51.631 24.778 1.00737.35 O ATOM 18820 N1 G 0 932 173.056 50.499 26.528 1.00737.35 N ATOM 18821 C2 G 0 932 172.866 50.256 27.865 1.00737.35 C ATOM 18822 N2 G 0 932 172.038 49.242 28.168 1.00737.35 N ATOM 18823 N3 G 0 932 173.440 50.951 28.831 1.00737.35 N ATOM 18824 C4 G 0 932 174.239 51.927 28.347 1.00737.35 C ATOM 18825 P G 0 933 179.305 51.370 32.041 1.00737.35 P ATOM 18826 O1P G 0 933 180.073 51.145 33.293 1.00737.35 O ATOM 18827 O2P G 0 933 180.014 51.841 30.823 1.00737.35 O ATOM 18828 O5* G 0 933 178.534 50.024 31.678 1.00737.35 O ATOM 18829 C5* G 0 933 177.786 49.318 32.667 1.00737.35 C ATOM 18830 C4* G 0 933 177.042 48.162 32.042 1.00737.35 C ATOM 18831 O4* G 0 933 176.052 48.668 31.108 1.00737.35 O ATOM 18832 C3* G 0 933 177.888 47.211 31.211 1.00737.35 C ATOM 18833 O3* G 0 933 178.526 46.241 32.035 1.00737.35 O ATOM 18834 C2* G 0 933 176.854 46.590 30.279 1.00737.35 C ATOM 18835 O2* G 0 933 176.114 45.548 30.883 1.00737.35 O ATOM 18836 C1* G 0 933 175.937 47.784 30.003 1.00737.35 C ATOM 18837 N9 G 0 933 176.287 48.513 28.785 1.00737.35 N ATOM 18838 C8 G 0 933 177.098 49.619 28.681 1.00737.35 C ATOM 18839 N7 G 0 933 177.223 50.050 27.455 1.00737.35 N ATOM 18840 C5 G 0 933 176.452 49.176 26.703 1.00737.35 C ATOM 18841 C6 G 0 933 176.201 49.138 25.305 1.00737.35 C ATOM 18842 O6 G 0 933 176.626 49.898 24.425 1.00737.35 O ATOM 18843 N1 G 0 933 175.359 48.084 24.965 1.00737.35 N ATOM 18844 C2 G 0 933 174.826 47.182 25.850 1.00737.35 C ATOM 18845 N2 G 0 933 174.037 46.233 25.323 1.00737.35 N ATOM 18846 N3 G 0 933 175.048 47.204 27.153 1.00737.35 N ATOM 18847 C4 G 0 933 175.865 48.221 27.508 1.00737.35 C ATOM 18848 P G 0 934 179.896 45.557 31.548 1.00737.35 P ATOM 18849 O1P G 0 934 180.437 44.787 32.697 1.00737.35 O ATOM 18850 O2P G 0 934 180.742 46.595 30.899 1.00737.35 O ATOM 18851 O5* G 0 934 179.430 44.526 30.427 1.00737.35 O ATOM 18852 C5* G 0 934 178.722 43.338 30.775 1.00737.35 C ATOM 18853 C4* G 0 934 178.369 42.551 29.534 1.00737.35 C ATOM 18854 O4* G 0 934 177.413 43.299 28.737 1.00737.35 O ATOM 18855 C3* G 0 934 179.517 42.274 28.576 1.00737.35 C ATOM 18856 O3* G 0 934 180.272 41.141 28.989 1.00737.35 O ATOM 18857 C2* G 0 934 178.784 42.029 27.262 1.00737.35 C ATOM 18858 O2* G 0 934 178.260 40.721 27.152 1.00737.35 O ATOM 18859 C1* G 0 934 177.640 43.042 27.359 1.00737.35 C ATOM 18860 N9 G 0 934 177.929 44.308 26.690 1.00737.35 N ATOM 18861 C8 G 0 934 178.492 45.434 27.244 1.00737.35 C ATOM 18862 N7 G 0 934 178.629 46.413 26.388 1.00737.35 N ATOM 18863 C5 G 0 934 178.128 45.903 25.199 1.00737.35 C ATOM 18864 C6 G 0 934 178.015 46.503 23.917 1.00737.35 C ATOM 18865 O6 G 0 934 178.348 47.641 23.565 1.00737.35 O ATOM 18866 N1 G 0 934 177.451 45.630 22.993 1.00737.35 N ATOM 18867 C2 G 0 934 177.046 44.348 23.263 1.00737.35 C ATOM 18868 N2 G 0 934 176.522 43.663 22.235 1.00737.35 N ATOM 18869 N3 G 0 934 177.144 43.776 24.452 1.00737.35 N ATOM 18870 C4 G 0 934 177.692 44.605 25.366 1.00737.35 C ATOM 18871 P C 0 935 181.823 41.022 28.575 1.00737.35 P ATOM 18872 O1P C 0 935 182.355 39.792 29.214 1.00737.35 O ATOM 18873 O2P C 0 935 182.481 42.330 28.836 1.00737.35 O ATOM 18874 O5* C 0 935 181.778 40.791 26.999 1.00737.35 O ATOM 18875 C5* C 0 935 181.230 39.594 26.453 1.00737.35 C ATOM 18876 C4* C 0 935 181.230 39.651 24.944 1.00737.35 C ATOM 18877 O4* C 0 935 180.329 40.697 24.494 1.00737.35 O ATOM 18878 C3* C 0 935 182.556 40.000 24.285 1.00737.35 C ATOM 18879 O3* C 0 935 183.392 38.854 24.180 1.00737.35 O ATOM 18880 C2* C 0 935 182.113 40.516 22.923 1.00737.35 C ATOM 18881 O2* C 0 935 181.835 39.482 21.999 1.00737.35 O ATOM 18882 C1* C 0 935 180.815 41.252 23.280 1.00737.35 C ATOM 18883 N1 C 0 935 180.989 42.709 23.452 1.00737.35 N ATOM 18884 C2 C 0 935 180.854 43.543 22.330 1.00737.35 C ATOM 18885 O2 C 0 935 180.587 43.036 21.227 1.00737.35 O ATOM 18886 N3 C 0 935 181.018 44.877 22.475 1.00737.35 N ATOM 18887 C4 C 0 935 181.303 45.389 23.675 1.00737.35 C ATOM 18888 N4 C 0 935 181.456 46.713 23.768 1.00737.35 N ATOM 18889 C5 C 0 935 181.443 44.567 24.830 1.00737.35 C ATOM 18890 C6 C 0 935 181.280 43.247 24.676 1.00737.35 C ATOM 18891 P A 0 936 184.990 39.031 24.128 1.00737.35 P ATOM 18892 O1P A 0 936 185.588 37.675 24.211 1.00737.35 O ATOM 18893 O2P A 0 936 185.386 40.070 25.115 1.00737.35 O ATOM 18894 O5* A 0 936 185.261 39.608 22.666 1.00737.35 O ATOM 18895 C5* A 0 936 184.925 38.847 21.508 1.00737.35 C ATOM 18896 C4* A 0 936 185.041 39.699 20.264 1.00737.35 C ATOM 18897 O4* A 0 936 184.091 40.792 20.337 1.00737.35 O ATOM 18898 C3* A 0 936 186.382 40.382 20.047 1.00737.35 C ATOM 18899 O3* A 0 936 187.306 39.495 19.421 1.00737.35 O ATOM 18900 C2* A 0 936 186.004 41.546 19.139 1.00737.35 C ATOM 18901 O2* A 0 936 185.878 41.173 17.782 1.00737.35 O ATOM 18902 C1* A 0 936 184.631 41.935 19.695 1.00737.35 C ATOM 18903 N9 A 0 936 184.672 43.039 20.656 1.00737.35 N ATOM 18904 C8 A 0 936 184.614 42.981 22.028 1.00737.35 C ATOM 18905 N7 A 0 936 184.669 44.152 22.612 1.00737.35 N ATOM 18906 C5 A 0 936 184.774 45.047 21.556 1.00737.35 C ATOM 18907 C6 A 0 936 184.867 46.449 21.509 1.00737.35 C ATOM 18908 N6 A 0 936 184.871 47.230 22.595 1.00737.35 N ATOM 18909 N1 A 0 936 184.960 47.033 20.295 1.00737.35 N ATOM 18910 C2 A 0 936 184.953 46.251 19.207 1.00737.35 C ATOM 18911 N3 A 0 936 184.866 44.927 19.122 1.00737.35 N ATOM 18912 C4 A 0 936 184.777 44.377 20.345 1.00737.35 C ATOM 18913 P C 0 937 188.887 39.695 19.650 1.00737.35 P ATOM 18914 O1P C 0 937 189.597 38.582 18.970 1.00737.35 O ATOM 18915 O2P C 0 937 189.111 39.928 21.101 1.00737.35 O ATOM 18916 O5* C 0 937 189.221 41.048 18.876 1.00737.35 O ATOM 18917 C5* C 0 937 188.941 41.186 17.486 1.00737.35 C ATOM 18918 C4* C 0 937 189.067 42.631 17.063 1.00737.35 C ATOM 18919 O4* C 0 937 188.124 43.435 17.822 1.00737.35 O ATOM 18920 C3* C 0 937 190.417 43.277 17.334 1.00737.35 C ATOM 18921 O3* C 0 937 191.333 43.001 16.279 1.00737.35 O ATOM 18922 C2* C 0 937 190.057 44.757 17.410 1.00737.35 C ATOM 18923 O2* C 0 937 189.924 45.363 16.138 1.00737.35 O ATOM 18924 C1* C 0 937 188.693 44.704 18.105 1.00737.35 C ATOM 18925 N1 C 0 937 188.770 44.876 19.571 1.00737.35 N ATOM 18926 C2 C 0 937 188.733 46.174 20.106 1.00737.35 C ATOM 18927 O2 C 0 937 188.636 47.146 19.336 1.00737.35 O ATOM 18928 N3 C 0 937 188.805 46.339 21.448 1.00737.35 N ATOM 18929 C4 C 0 937 188.911 45.272 22.245 1.00737.35 C ATOM 18930 N4 C 0 937 188.980 45.481 23.563 1.00737.35 N ATOM 18931 C5 C 0 937 188.949 43.945 21.730 1.00737.35 C ATOM 18932 C6 C 0 937 188.875 43.793 20.402 1.00737.35 C ATOM 18933 P G 0 938 192.915 43.089 16.558 1.00737.35 P ATOM 18934 O1P G 0 938 193.624 42.841 15.276 1.00737.35 O ATOM 18935 O2P G 0 938 193.213 42.239 17.739 1.00737.35 O ATOM 18936 O5* G 0 938 193.141 44.614 16.960 1.00737.35 O ATOM 18937 C5* G 0 938 194.267 45.014 17.732 1.00737.35 C ATOM 18938 C4* G 0 938 194.316 46.520 17.835 1.00737.35 C ATOM 18939 O4* G 0 938 193.059 47.006 18.377 1.00737.35 O ATOM 18940 C3* G 0 938 195.368 47.075 18.780 1.00737.35 C ATOM 18941 O3* G 0 938 196.642 47.173 18.141 1.00737.35 O ATOM 18942 C2* G 0 938 194.796 48.446 19.129 1.00737.35 C ATOM 18943 O2* G 0 938 195.044 49.423 18.137 1.00737.35 O ATOM 18944 C1* G 0 938 193.298 48.144 19.195 1.00737.35 C ATOM 18945 N9 G 0 938 192.817 47.857 20.545 1.00737.35 N ATOM 18946 C8 G 0 938 192.712 46.624 21.145 1.00737.35 C ATOM 18947 N7 G 0 938 192.246 46.683 22.363 1.00737.35 N ATOM 18948 C5 G 0 938 192.030 48.037 22.583 1.00737.35 C ATOM 18949 C6 G 0 938 191.533 48.714 23.730 1.00737.35 C ATOM 18950 O6 G 0 938 191.169 48.236 24.811 1.00737.35 O ATOM 18951 N1 G 0 938 191.477 50.088 23.527 1.00737.35 N ATOM 18952 C2 G 0 938 191.850 50.732 22.374 1.00737.35 C ATOM 18953 N2 G 0 938 191.719 52.070 22.377 1.00737.35 N ATOM 18954 N3 G 0 938 192.315 50.115 21.298 1.00737.35 N ATOM 18955 C4 G 0 938 192.379 48.776 21.473 1.00737.35 C ATOM 18956 P C 0 939 197.967 47.364 19.032 1.00737.35 P ATOM 18957 O1P C 0 939 199.024 47.963 18.179 1.00737.35 O ATOM 18958 O2P C 0 939 198.229 46.078 19.728 1.00737.35 O ATOM 18959 O5* C 0 939 197.523 48.443 20.115 1.00737.35 O ATOM 18960 C5* C 0 939 198.464 49.084 20.965 1.00737.35 C ATOM 18961 C4* C 0 939 198.071 50.530 21.153 1.00737.35 C ATOM 18962 O4* C 0 939 196.641 50.608 21.385 1.00737.35 O ATOM 18963 C3* C 0 939 198.700 51.245 22.338 1.00737.35 C ATOM 18964 O3* C 0 939 199.979 51.770 21.992 1.00737.35 O ATOM 18965 C2* C 0 939 197.686 52.347 22.626 1.00737.35 C ATOM 18966 O2* C 0 939 197.832 53.472 21.781 1.00737.35 O ATOM 18967 C1* C 0 939 196.363 51.640 22.316 1.00737.35 C ATOM 18968 N1 C 0 939 195.695 51.042 23.491 1.00737.35 N ATOM 18969 C2 C 0 939 194.794 51.823 24.232 1.00737.35 C ATOM 18970 O2 C 0 939 194.587 53.000 23.890 1.00737.35 O ATOM 18971 N3 C 0 939 194.169 51.275 25.301 1.00737.35 N ATOM 18972 C4 C 0 939 194.417 50.007 25.642 1.00737.35 C ATOM 18973 N4 C 0 939 193.775 49.508 26.701 1.00737.35 N ATOM 18974 C5 C 0 939 195.334 49.196 24.914 1.00737.35 C ATOM 18975 C6 C 0 939 195.945 49.747 23.857 1.00737.35 C ATOM 18976 P G 0 940 201.074 52.033 23.140 1.00737.35 P ATOM 18977 O1P G 0 940 202.375 52.312 22.477 1.00737.35 O ATOM 18978 O2P G 0 940 200.977 50.925 24.125 1.00737.35 O ATOM 18979 O5* G 0 940 200.573 53.368 23.854 1.00737.35 O ATOM 18980 C5* G 0 940 200.778 54.646 23.251 1.00737.35 C ATOM 18981 C4* G 0 940 200.133 55.731 24.085 1.00737.35 C ATOM 18982 O4* G 0 940 198.690 55.549 24.079 1.00737.35 O ATOM 18983 C3* G 0 940 200.511 55.742 25.559 1.00737.35 C ATOM 18984 O3* G 0 940 201.744 56.425 25.789 1.00737.35 O ATOM 18985 C2* G 0 940 199.308 56.425 26.196 1.00737.35 C ATOM 18986 O2* G 0 940 199.325 57.832 26.059 1.00737.35 O ATOM 18987 C1* G 0 940 198.164 55.831 25.368 1.00737.35 C ATOM 18988 N9 G 0 940 197.645 54.583 25.926 1.00737.35 N ATOM 18989 C8 G 0 940 198.130 53.316 25.695 1.00737.35 C ATOM 18990 N7 G 0 940 197.470 52.388 26.331 1.00737.35 N ATOM 18991 C5 G 0 940 196.492 53.080 27.029 1.00737.35 C ATOM 18992 C6 G 0 940 195.479 52.604 27.897 1.00737.35 C ATOM 18993 O6 G 0 940 195.238 51.438 28.231 1.00737.35 O ATOM 18994 N1 G 0 940 194.698 53.644 28.393 1.00737.35 N ATOM 18995 C2 G 0 940 194.869 54.972 28.094 1.00737.35 C ATOM 18996 N2 G 0 940 194.010 55.823 28.676 1.00737.35 N ATOM 18997 N3 G 0 940 195.813 55.433 27.285 1.00737.35 N ATOM 18998 C4 G 0 940 196.582 54.437 26.791 1.00737.35 C ATOM 18999 P U 0 941 202.440 56.375 27.245 1.00737.35 P ATOM 19000 O1P U 0 941 201.493 56.944 28.237 1.00737.35 O ATOM 19001 O2P U 0 941 203.787 56.977 27.094 1.00737.35 O ATOM 19002 O5* U 0 941 202.639 54.823 27.575 1.00737.35 O ATOM 19003 C5* U 0 941 201.541 53.912 27.552 1.00737.35 C ATOM 19004 C4* U 0 941 200.721 54.047 28.813 1.00737.35 C ATOM 19005 O4* U 0 941 199.376 53.563 28.565 1.00737.35 O ATOM 19006 C3* U 0 941 201.186 53.260 30.029 1.00737.35 C ATOM 19007 O3* U 0 941 202.213 53.940 30.746 1.00737.35 O ATOM 19008 C2* U 0 941 199.905 53.167 30.851 1.00737.35 C ATOM 19009 O2* U 0 941 199.644 54.338 31.600 1.00737.35 O ATOM 19010 C1* U 0 941 198.843 53.015 29.758 1.00737.35 C ATOM 19011 N1 U 0 941 198.437 51.623 29.504 1.00737.35 N ATOM 19012 C2 U 0 941 197.440 51.087 30.306 1.00737.35 C ATOM 19013 O2 U 0 941 196.908 51.711 31.214 1.00737.35 O ATOM 19014 N3 U 0 941 197.092 49.795 30.007 1.00737.35 N ATOM 19015 C4 U 0 941 197.622 48.993 29.019 1.00737.35 C ATOM 19016 O4 U 0 941 197.179 47.853 28.861 1.00737.35 O ATOM 19017 C5 U 0 941 198.652 49.609 28.241 1.00737.35 C ATOM 19018 C6 U 0 941 199.016 50.868 28.503 1.00737.35 C ATOM 19019 P U 0 942 203.204 53.109 31.705 1.00737.35 P ATOM 19020 O1P U 0 942 204.181 54.060 32.295 1.00737.35 O ATOM 19021 O2P U 0 942 203.696 51.938 30.935 1.00737.35 O ATOM 19022 O5* U 0 942 202.263 52.565 32.874 1.00737.35 O ATOM 19023 C5* U 0 942 201.639 53.462 33.794 1.00737.35 C ATOM 19024 C4* U 0 942 200.473 52.786 34.486 1.00737.35 C ATOM 19025 O4* U 0 942 199.549 52.294 33.478 1.00737.35 O ATOM 19026 C3* U 0 942 200.799 51.560 35.329 1.00737.35 C ATOM 19027 O3* U 0 942 201.181 51.939 36.650 1.00737.35 O ATOM 19028 C2* U 0 942 199.466 50.819 35.334 1.00737.35 C ATOM 19029 O2* U 0 942 198.538 51.350 36.261 1.00737.35 O ATOM 19030 C1* U 0 942 198.968 51.075 33.910 1.00737.35 C ATOM 19031 N1 U 0 942 199.335 50.008 32.963 1.00737.35 N ATOM 19032 C2 U 0 942 198.477 48.922 32.851 1.00737.35 C ATOM 19033 O2 U 0 942 197.443 48.816 33.492 1.00737.35 O ATOM 19034 N3 U 0 942 198.877 47.961 31.955 1.00737.35 N ATOM 19035 C4 U 0 942 200.018 47.969 31.179 1.00737.35 C ATOM 19036 O4 U 0 942 200.237 47.026 30.416 1.00737.35 O ATOM 19037 C5 U 0 942 200.849 49.119 31.349 1.00737.35 C ATOM 19038 C6 U 0 942 200.490 50.075 32.213 1.00737.35 C ATOM 19039 P U 0 943 202.261 51.060 37.462 1.00737.35 P ATOM 19040 O1P U 0 943 202.455 51.688 38.793 1.00737.35 O ATOM 19041 O2P U 0 943 203.432 50.857 36.570 1.00737.35 O ATOM 19042 O5* U 0 943 201.557 49.647 37.678 1.00737.35 O ATOM 19043 C5* U 0 943 200.183 49.555 38.053 1.00737.35 C ATOM 19044 C4* U 0 943 199.615 48.215 37.642 1.00737.35 C ATOM 19045 O4* U 0 943 200.005 47.941 36.270 1.00737.35 O ATOM 19046 C3* U 0 943 200.119 47.011 38.425 1.00737.35 C ATOM 19047 O3* U 0 943 199.315 46.825 39.587 1.00737.35 O ATOM 19048 C2* U 0 943 199.915 45.870 37.435 1.00737.35 C ATOM 19049 O2* U 0 943 198.584 45.397 37.406 1.00737.35 O ATOM 19050 C1* U 0 943 200.247 46.552 36.106 1.00737.35 C ATOM 19051 N1 U 0 943 201.643 46.360 35.677 1.00737.35 N ATOM 19052 C2 U 0 943 201.942 45.226 34.933 1.00737.35 C ATOM 19053 O2 U 0 943 201.105 44.391 34.624 1.00737.35 O ATOM 19054 N3 U 0 943 203.259 45.106 34.566 1.00737.35 N ATOM 19055 C4 U 0 943 204.287 45.978 34.854 1.00737.35 C ATOM 19056 O4 U 0 943 205.425 45.727 34.450 1.00737.35 O ATOM 19057 C5 U 0 943 203.903 47.122 35.620 1.00737.35 C ATOM 19058 C6 U 0 943 202.629 47.272 35.997 1.00737.35 C ATOM 19059 P A 0 944 199.912 46.049 40.861 1.00737.35 P ATOM 19060 O1P A 0 944 200.949 46.910 41.485 1.00737.35 O ATOM 19061 O2P A 0 944 200.269 44.673 40.421 1.00737.35 O ATOM 19062 O5* A 0 944 198.671 45.967 41.859 1.00737.35 O ATOM 19063 C5* A 0 944 197.897 44.775 41.991 1.00737.35 C ATOM 19064 C4* A 0 944 196.650 44.863 41.137 1.00737.35 C ATOM 19065 O4* A 0 944 197.040 44.901 39.736 1.00737.35 O ATOM 19066 C3* A 0 944 195.713 43.669 41.234 1.00737.35 C ATOM 19067 O3* A 0 944 194.808 43.818 42.325 1.00737.35 O ATOM 19068 C2* A 0 944 194.992 43.714 39.893 1.00737.35 C ATOM 19069 O2* A 0 944 193.950 44.667 39.852 1.00737.35 O ATOM 19070 C1* A 0 944 196.126 44.142 38.958 1.00737.35 C ATOM 19071 N9 A 0 944 196.843 43.009 38.371 1.00737.35 N ATOM 19072 C8 A 0 944 198.111 42.569 38.677 1.00737.35 C ATOM 19073 N7 A 0 944 198.486 41.518 37.989 1.00737.35 N ATOM 19074 C5 A 0 944 197.395 41.244 37.176 1.00737.35 C ATOM 19075 C6 A 0 944 197.164 40.245 36.216 1.00737.35 C ATOM 19076 N6 A 0 944 198.054 39.302 35.906 1.00737.35 N ATOM 19077 N1 A 0 944 195.971 40.246 35.579 1.00737.35 N ATOM 19078 C2 A 0 944 195.080 41.196 35.898 1.00737.35 C ATOM 19079 N3 A 0 944 195.181 42.187 36.784 1.00737.35 N ATOM 19080 C4 A 0 944 196.378 42.154 37.398 1.00737.35 C ATOM 19081 P G 0 945 194.223 42.513 43.062 1.00737.35 P ATOM 19082 O1P G 0 945 193.269 42.962 44.110 1.00737.35 O ATOM 19083 O2P G 0 945 195.378 41.656 43.442 1.00737.35 O ATOM 19084 O5* G 0 945 193.402 41.756 41.925 1.00737.35 O ATOM 19085 C5* G 0 945 192.279 42.374 41.294 1.00737.35 C ATOM 19086 C4* G 0 945 191.850 41.572 40.088 1.00737.35 C ATOM 19087 O4* G 0 945 192.947 41.518 39.134 1.00737.35 O ATOM 19088 C3* G 0 945 191.507 40.115 40.353 1.00737.35 C ATOM 19089 O3* G 0 945 190.154 39.978 40.775 1.00737.35 O ATOM 19090 C2* G 0 945 191.743 39.472 38.988 1.00737.35 C ATOM 19091 O2* G 0 945 190.666 39.661 38.092 1.00737.35 O ATOM 19092 C1* G 0 945 192.968 40.249 38.498 1.00737.35 C ATOM 19093 N9 G 0 945 194.236 39.594 38.808 1.00737.35 N ATOM 19094 C8 G 0 945 195.143 39.953 39.779 1.00737.35 C ATOM 19095 N7 G 0 945 196.190 39.176 39.815 1.00737.35 N ATOM 19096 C5 G 0 945 195.964 38.245 38.809 1.00737.35 C ATOM 19097 C6 G 0 945 196.756 37.151 38.377 1.00737.35 C ATOM 19098 O6 G 0 945 197.851 36.772 38.808 1.00737.35 O ATOM 19099 N1 G 0 945 196.150 36.465 37.328 1.00737.35 N ATOM 19100 C2 G 0 945 194.941 36.790 36.767 1.00737.35 C ATOM 19101 N2 G 0 945 194.524 36.001 35.765 1.00737.35 N ATOM 19102 N3 G 0 945 194.193 37.809 37.159 1.00737.35 N ATOM 19103 C4 G 0 945 194.761 38.488 38.177 1.00737.35 C ATOM 19104 P U 0 946 189.724 38.723 41.685 1.00737.35 P ATOM 19105 O1P U 0 946 188.261 38.835 41.928 1.00737.35 O ATOM 19106 O2P U 0 946 190.653 38.639 42.839 1.00737.35 O ATOM 19107 O5* U 0 946 189.978 37.460 40.747 1.00737.35 O ATOM 19108 C5* U 0 946 189.211 37.259 39.561 1.00737.35 C ATOM 19109 C4* U 0 946 189.719 36.054 38.806 1.00737.35 C ATOM 19110 O4* U 0 946 191.080 36.302 38.357 1.00737.35 O ATOM 19111 C3* U 0 946 189.815 34.766 39.609 1.00737.35 C ATOM 19112 O3* U 0 946 188.563 34.091 39.639 1.00737.35 O ATOM 19113 C2* U 0 946 190.874 33.981 38.844 1.00737.35 C ATOM 19114 O2* U 0 946 190.361 33.329 37.696 1.00737.35 O ATOM 19115 C1* U 0 946 191.831 35.098 38.417 1.00737.35 C ATOM 19116 N1 U 0 946 192.964 35.296 39.338 1.00737.35 N ATOM 19117 C2 U 0 946 194.081 34.485 39.179 1.00737.35 C ATOM 19118 O2 U 0 946 194.164 33.624 38.316 1.00737.35 O ATOM 19119 N3 U 0 946 195.101 34.723 40.068 1.00737.35 N ATOM 19120 C4 U 0 946 195.121 35.666 41.079 1.00737.35 C ATOM 19121 O4 U 0 946 196.120 35.764 41.793 1.00737.35 O ATOM 19122 C5 U 0 946 193.935 36.456 41.180 1.00737.35 C ATOM 19123 C6 U 0 946 192.924 36.251 40.333 1.00737.35 C ATOM 19124 P C 0 947 188.169 33.198 40.916 1.00737.35 P ATOM 19125 O1P C 0 947 186.774 32.729 40.713 1.00737.35 O ATOM 19126 O2P C 0 947 188.514 33.953 42.147 1.00737.35 O ATOM 19127 O5* C 0 947 189.141 31.938 40.816 1.00737.35 O ATOM 19128 C5* C 0 947 188.926 30.923 39.839 1.00737.35 C ATOM 19129 C4* C 0 947 189.972 29.836 39.971 1.00737.35 C ATOM 19130 O4* C 0 947 191.277 30.376 39.634 1.00737.35 O ATOM 19131 C3* C 0 947 190.152 29.258 41.365 1.00737.35 C ATOM 19132 O3* C 0 947 189.188 28.245 41.634 1.00737.35 O ATOM 19133 C2* C 0 947 191.571 28.706 41.302 1.00737.35 C ATOM 19134 O2* C 0 947 191.646 27.443 40.670 1.00737.35 O ATOM 19135 C1* C 0 947 192.270 29.762 40.442 1.00737.35 C ATOM 19136 N1 C 0 947 192.954 30.807 41.233 1.00737.35 N ATOM 19137 C2 C 0 947 194.273 30.580 41.661 1.00737.35 C ATOM 19138 O2 C 0 947 194.834 29.512 41.364 1.00737.35 O ATOM 19139 N3 C 0 947 194.901 31.531 42.387 1.00737.35 N ATOM 19140 C4 C 0 947 194.270 32.667 42.691 1.00737.35 C ATOM 19141 N4 C 0 947 194.932 33.575 43.414 1.00737.35 N ATOM 19142 C5 C 0 947 192.933 32.925 42.270 1.00737.35 C ATOM 19143 C6 C 0 947 192.318 31.978 41.549 1.00737.35 C ATOM 19144 P C 0 948 188.711 27.982 43.146 1.00737.35 P ATOM 19145 O1P C 0 948 187.625 26.968 43.096 1.00737.35 O ATOM 19146 O2P C 0 948 188.456 29.294 43.796 1.00737.35 O ATOM 19147 O5* C 0 948 189.985 27.322 43.841 1.00737.35 O ATOM 19148 C5* C 0 948 190.397 26.001 43.500 1.00737.35 C ATOM 19149 C4* C 0 948 191.652 25.626 44.257 1.00737.35 C ATOM 19150 O4* C 0 948 192.752 26.472 43.828 1.00737.35 O ATOM 19151 C3* C 0 948 191.607 25.820 45.765 1.00737.35 C ATOM 19152 O3* C 0 948 190.972 24.719 46.406 1.00737.35 O ATOM 19153 C2* C 0 948 193.088 25.912 46.119 1.00737.35 C ATOM 19154 O2* C 0 948 193.718 24.648 46.210 1.00737.35 O ATOM 19155 C1* C 0 948 193.642 26.681 44.916 1.00737.35 C ATOM 19156 N1 C 0 948 193.774 28.132 45.156 1.00737.35 N ATOM 19157 C2 C 0 948 194.972 28.620 45.707 1.00737.35 C ATOM 19158 O2 C 0 948 195.888 27.822 45.968 1.00737.35 O ATOM 19159 N3 C 0 948 195.099 29.946 45.942 1.00737.35 N ATOM 19160 C4 C 0 948 194.096 30.775 45.652 1.00737.35 C ATOM 19161 N4 C 0 948 194.268 32.075 45.902 1.00737.35 N ATOM 19162 C5 C 0 948 192.873 30.310 45.087 1.00737.35 C ATOM 19163 C6 C 0 948 192.754 28.996 44.859 1.00737.35 C ATOM 19164 P G 0 949 190.260 24.932 47.832 1.00737.35 P ATOM 19165 O1P G 0 949 189.560 23.665 48.167 1.00737.35 O ATOM 19166 O2P G 0 949 189.493 26.204 47.794 1.00737.35 O ATOM 19167 O5* G 0 949 191.475 25.115 48.846 1.00737.35 O ATOM 19168 C5* G 0 949 192.302 24.009 49.204 1.00737.35 C ATOM 19169 C4* G 0 949 193.435 24.461 50.099 1.00737.35 C ATOM 19170 O4* G 0 949 194.316 25.346 49.360 1.00737.35 O ATOM 19171 C3* G 0 949 193.037 25.275 51.322 1.00737.35 C ATOM 19172 O3* G 0 949 192.627 24.431 52.392 1.00737.35 O ATOM 19173 C2* G 0 949 194.326 26.022 51.642 1.00737.35 C ATOM 19174 O2* G 0 949 195.259 25.242 52.363 1.00737.35 O ATOM 19175 C1* G 0 949 194.869 26.313 50.241 1.00737.35 C ATOM 19176 N9 G 0 949 194.524 27.646 49.750 1.00737.35 N ATOM 19177 C8 G 0 949 193.458 27.997 48.956 1.00737.35 C ATOM 19178 N7 G 0 949 193.415 29.273 48.690 1.00737.35 N ATOM 19179 C5 G 0 949 194.520 29.799 49.345 1.00737.35 C ATOM 19180 C6 G 0 949 194.995 31.134 49.421 1.00737.35 C ATOM 19181 O6 G 0 949 194.520 32.153 48.906 1.00737.35 O ATOM 19182 N1 G 0 949 196.150 31.223 50.191 1.00737.35 N ATOM 19183 C2 G 0 949 196.771 30.165 50.810 1.00737.35 C ATOM 19184 N2 G 0 949 197.877 30.454 51.509 1.00737.35 N ATOM 19185 N3 G 0 949 196.339 28.917 50.747 1.00737.35 N ATOM 19186 C4 G 0 949 195.217 28.808 50.003 1.00737.35 C ATOM 19187 P G 0 950 191.639 25.002 53.523 1.00737.35 P ATOM 19188 O1P G 0 950 191.229 23.852 54.370 1.00737.35 O ATOM 19189 O2P G 0 950 190.597 25.835 52.869 1.00737.35 O ATOM 19190 O5* G 0 950 192.565 25.963 54.395 1.00737.35 O ATOM 19191 C5* G 0 950 193.530 25.427 55.300 1.00737.35 C ATOM 19192 C4* G 0 950 194.247 26.542 56.029 1.00737.35 C ATOM 19193 O4* G 0 950 195.041 27.310 55.086 1.00737.35 O ATOM 19194 C3* G 0 950 193.364 27.579 56.700 1.00737.35 C ATOM 19195 O3* G 0 950 192.919 27.135 57.978 1.00737.35 O ATOM 19196 C2* G 0 950 194.300 28.779 56.806 1.00737.35 C ATOM 19197 O2* G 0 950 195.190 28.694 57.902 1.00737.35 O ATOM 19198 C1* G 0 950 195.080 28.668 55.494 1.00737.35 C ATOM 19199 N9 G 0 950 194.527 29.492 54.422 1.00737.35 N ATOM 19200 C8 G 0 950 193.582 29.125 53.490 1.00737.35 C ATOM 19201 N7 G 0 950 193.280 30.087 52.660 1.00737.35 N ATOM 19202 C5 G 0 950 194.070 31.152 53.067 1.00737.35 C ATOM 19203 C6 G 0 950 194.175 32.470 52.545 1.00737.35 C ATOM 19204 O6 G 0 950 193.571 32.969 51.588 1.00737.35 O ATOM 19205 N1 G 0 950 195.097 33.226 53.256 1.00737.35 N ATOM 19206 C2 G 0 950 195.827 32.783 54.331 1.00737.35 C ATOM 19207 N2 G 0 950 196.666 33.668 54.885 1.00737.35 N ATOM 19208 N3 G 0 950 195.736 31.559 54.827 1.00737.35 N ATOM 19209 C4 G 0 950 194.846 30.803 54.152 1.00737.35 C ATOM 19210 P G 0 951 191.555 27.718 58.597 1.00737.35 P ATOM 19211 O1P G 0 951 191.283 26.971 59.850 1.00737.35 O ATOM 19212 O2P G 0 951 190.525 27.753 57.525 1.00737.35 O ATOM 19213 O5* G 0 951 191.921 29.223 58.980 1.00737.35 O ATOM 19214 C5* G 0 951 192.804 29.506 60.063 1.00737.35 C ATOM 19215 C4* G 0 951 193.030 30.996 60.185 1.00737.35 C ATOM 19216 O4* G 0 951 193.719 31.482 59.002 1.00737.35 O ATOM 19217 C3* G 0 951 191.782 31.859 60.266 1.00737.35 C ATOM 19218 O3* G 0 951 191.266 31.907 61.595 1.00737.35 O ATOM 19219 C2* G 0 951 192.307 33.215 59.810 1.00737.35 C ATOM 19220 O2* G 0 951 192.986 33.922 60.828 1.00737.35 O ATOM 19221 C1* G 0 951 193.295 32.805 58.715 1.00737.35 C ATOM 19222 N9 G 0 951 192.709 32.831 57.374 1.00737.35 N ATOM 19223 C8 G 0 951 192.218 31.765 56.659 1.00737.35 C ATOM 19224 N7 G 0 951 191.751 32.107 55.487 1.00737.35 N ATOM 19225 C5 G 0 951 191.945 33.480 55.425 1.00737.35 C ATOM 19226 C6 G 0 951 191.631 34.410 54.398 1.00737.35 C ATOM 19227 O6 G 0 951 191.102 34.196 53.300 1.00737.35 O ATOM 19228 N1 G 0 951 191.999 35.704 54.750 1.00737.35 N ATOM 19229 C2 G 0 951 192.589 36.063 55.935 1.00737.35 C ATOM 19230 N2 G 0 951 192.867 37.366 56.085 1.00737.35 N ATOM 19231 N3 G 0 951 192.884 35.208 56.902 1.00737.35 N ATOM 19232 C4 G 0 951 192.537 33.944 56.582 1.00737.35 C ATOM 19233 P A 0 952 189.681 31.734 61.848 1.00737.35 P ATOM 19234 O1P A 0 952 189.504 31.432 63.290 1.00737.35 O ATOM 19235 O2P A 0 952 189.133 30.798 60.831 1.00737.35 O ATOM 19236 O5* A 0 952 189.071 33.181 61.577 1.00737.35 O ATOM 19237 C5* A 0 952 189.246 33.832 60.322 1.00737.35 C ATOM 19238 C4* A 0 952 189.555 35.295 60.535 1.00737.35 C ATOM 19239 O4* A 0 952 190.040 35.877 59.298 1.00737.35 O ATOM 19240 C3* A 0 952 188.380 36.176 60.930 1.00737.35 C ATOM 19241 O3* A 0 952 188.136 36.117 62.333 1.00737.35 O ATOM 19242 C2* A 0 952 188.858 37.558 60.497 1.00737.35 C ATOM 19243 O2* A 0 952 189.722 38.164 61.438 1.00737.35 O ATOM 19244 C1* A 0 952 189.634 37.233 59.217 1.00737.35 C ATOM 19245 N9 A 0 952 188.856 37.418 57.991 1.00737.35 N ATOM 19246 C8 A 0 952 188.079 36.497 57.330 1.00737.35 C ATOM 19247 N7 A 0 952 187.507 36.969 56.251 1.00737.35 N ATOM 19248 C5 A 0 952 187.931 38.289 56.195 1.00737.35 C ATOM 19249 C6 A 0 952 187.673 39.330 55.286 1.00737.35 C ATOM 19250 N6 A 0 952 186.894 39.195 54.211 1.00737.35 N ATOM 19251 N1 A 0 952 188.251 40.526 55.521 1.00737.35 N ATOM 19252 C2 A 0 952 189.034 40.660 56.600 1.00737.35 C ATOM 19253 N3 A 0 952 189.353 39.760 57.525 1.00737.35 N ATOM 19254 C4 A 0 952 188.762 38.579 57.263 1.00737.35 C ATOM 19255 P G 0 953 186.653 36.378 62.899 1.00737.35 P ATOM 19256 O1P G 0 953 186.712 36.230 64.375 1.00737.35 O ATOM 19257 O2P G 0 953 185.700 35.550 62.117 1.00737.35 O ATOM 19258 O5* G 0 953 186.373 37.912 62.561 1.00737.35 O ATOM 19259 C5* G 0 953 187.138 38.949 63.171 1.00737.35 C ATOM 19260 C4* G 0 953 186.952 40.250 62.424 1.00737.35 C ATOM 19261 O4* G 0 953 187.403 40.083 61.055 1.00737.35 O ATOM 19262 C3* G 0 953 185.519 40.745 62.292 1.00737.35 C ATOM 19263 O3* G 0 953 185.126 41.490 63.441 1.00737.35 O ATOM 19264 C2* G 0 953 185.600 41.629 61.052 1.00737.35 C ATOM 19265 O2* G 0 953 186.131 42.911 61.323 1.00737.35 O ATOM 19266 C1* G 0 953 186.580 40.838 60.181 1.00737.35 C ATOM 19267 N9 G 0 953 185.920 39.925 59.253 1.00737.35 N ATOM 19268 C8 G 0 953 185.685 38.581 59.430 1.00737.35 C ATOM 19269 N7 G 0 953 185.071 38.029 58.418 1.00737.35 N ATOM 19270 C5 G 0 953 184.888 39.068 57.517 1.00737.35 C ATOM 19271 C6 G 0 953 184.281 39.078 56.233 1.00737.35 C ATOM 19272 O6 G 0 953 183.766 38.139 55.618 1.00737.35 O ATOM 19273 N1 G 0 953 184.309 40.347 55.665 1.00737.35 N ATOM 19274 C2 G 0 953 184.852 41.463 56.249 1.00737.35 C ATOM 19275 N2 G 0 953 184.780 42.597 55.538 1.00737.35 N ATOM 19276 N3 G 0 953 185.422 41.468 57.442 1.00737.35 N ATOM 19277 C4 G 0 953 185.407 40.246 58.015 1.00737.35 C ATOM 19278 P U 0 954 183.567 41.602 63.827 1.00737.35 P ATOM 19279 O1P U 0 954 183.478 42.443 65.047 1.00737.35 O ATOM 19280 O2P U 0 954 182.984 40.237 63.831 1.00737.35 O ATOM 19281 O5* U 0 954 182.923 42.416 62.615 1.00737.35 O ATOM 19282 C5* U 0 954 183.325 43.756 62.334 1.00737.35 C ATOM 19283 C4* U 0 954 182.775 44.203 60.998 1.00737.35 C ATOM 19284 O4* U 0 954 183.277 43.322 59.958 1.00737.35 O ATOM 19285 C3* U 0 954 181.263 44.141 60.849 1.00737.35 C ATOM 19286 O3* U 0 954 180.658 45.327 61.355 1.00737.35 O ATOM 19287 C2* U 0 954 181.088 44.024 59.337 1.00737.35 C ATOM 19288 O2* U 0 954 181.166 45.265 58.670 1.00737.35 O ATOM 19289 C1* U 0 954 182.289 43.154 58.954 1.00737.35 C ATOM 19290 N1 U 0 954 181.977 41.720 58.834 1.00737.35 N ATOM 19291 C2 U 0 954 181.511 41.256 57.611 1.00737.35 C ATOM 19292 O2 U 0 954 181.345 41.980 56.640 1.00737.35 O ATOM 19293 N3 U 0 954 181.244 39.910 57.565 1.00737.35 N ATOM 19294 C4 U 0 954 181.390 38.998 58.590 1.00737.35 C ATOM 19295 O4 U 0 954 181.110 37.813 58.388 1.00737.35 O ATOM 19296 C5 U 0 954 181.871 39.550 59.817 1.00737.35 C ATOM 19297 C6 U 0 954 182.141 40.855 59.897 1.00737.35 C ATOM 19298 P G 0 955 179.154 45.277 61.919 1.00737.35 P ATOM 19299 O1P G 0 955 178.769 46.669 62.268 1.00737.35 O ATOM 19300 O2P G 0 955 179.078 44.214 62.956 1.00737.35 O ATOM 19301 O5* G 0 955 178.287 44.828 60.660 1.00737.35 O ATOM 19302 C5* G 0 955 177.067 44.111 60.828 1.00737.35 C ATOM 19303 C4* G 0 955 176.887 43.117 59.705 1.00737.35 C ATOM 19304 O4* G 0 955 178.091 42.317 59.578 1.00737.35 O ATOM 19305 C3* G 0 955 175.771 42.106 59.915 1.00737.35 C ATOM 19306 O3* G 0 955 174.521 42.622 59.465 1.00737.35 O ATOM 19307 C2* G 0 955 176.232 40.928 59.062 1.00737.35 C ATOM 19308 O2* G 0 955 175.929 41.087 57.687 1.00737.35 O ATOM 19309 C1* G 0 955 177.747 40.976 59.266 1.00737.35 C ATOM 19310 N9 G 0 955 178.223 40.115 60.346 1.00737.35 N ATOM 19311 C8 G 0 955 178.603 40.502 61.610 1.00737.35 C ATOM 19312 N7 G 0 955 178.990 39.505 62.358 1.00737.35 N ATOM 19313 C5 G 0 955 178.857 38.392 61.541 1.00737.35 C ATOM 19314 C6 G 0 955 179.127 37.024 61.804 1.00737.35 C ATOM 19315 O6 G 0 955 179.551 36.507 62.844 1.00737.35 O ATOM 19316 N1 G 0 955 178.853 36.227 60.697 1.00737.35 N ATOM 19317 C2 G 0 955 178.382 36.685 59.492 1.00737.35 C ATOM 19318 N2 G 0 955 178.180 35.758 58.548 1.00737.35 N ATOM 19319 N3 G 0 955 178.123 37.956 59.233 1.00737.35 N ATOM 19320 C4 G 0 955 178.383 38.750 60.296 1.00737.35 C ATOM 19321 P A 0 956 173.228 42.530 60.416 1.00737.35 P ATOM 19322 O1P A 0 956 173.379 41.341 61.294 1.00737.35 O ATOM 19323 O2P A 0 956 172.022 42.658 59.560 1.00737.35 O ATOM 19324 O5* A 0 956 173.328 43.832 61.332 1.00737.35 O ATOM 19325 C5* A 0 956 173.396 45.132 60.750 1.00737.35 C ATOM 19326 C4* A 0 956 172.183 45.940 61.142 1.00737.35 C ATOM 19327 O4* A 0 956 172.110 46.040 62.588 1.00737.35 O ATOM 19328 C3* A 0 956 172.164 47.380 60.653 1.00737.35 C ATOM 19329 O3* A 0 956 171.661 47.427 59.318 1.00737.35 O ATOM 19330 C2* A 0 956 171.235 48.048 61.660 1.00737.35 C ATOM 19331 O2* A 0 956 169.865 47.850 61.373 1.00737.35 O ATOM 19332 C1* A 0 956 171.601 47.312 62.952 1.00737.35 C ATOM 19333 N9 A 0 956 172.596 47.981 63.798 1.00737.35 N ATOM 19334 C8 A 0 956 173.568 47.383 64.563 1.00737.35 C ATOM 19335 N7 A 0 956 174.310 48.229 65.235 1.00737.35 N ATOM 19336 C5 A 0 956 173.798 49.471 64.888 1.00737.35 C ATOM 19337 C6 A 0 956 174.152 50.776 65.267 1.00737.35 C ATOM 19338 N6 A 0 956 175.140 51.058 66.118 1.00737.35 N ATOM 19339 N1 A 0 956 173.444 51.798 64.737 1.00737.35 N ATOM 19340 C2 A 0 956 172.450 51.514 63.888 1.00737.35 C ATOM 19341 N3 A 0 956 172.020 50.330 63.460 1.00737.35 N ATOM 19342 C4 A 0 956 172.744 49.336 64.003 1.00737.35 C ATOM 19343 P G 0 957 171.493 48.842 58.565 1.00737.35 P ATOM 19344 O1P G 0 957 170.327 49.535 59.171 1.00737.35 O ATOM 19345 O2P G 0 957 171.509 48.583 57.103 1.00737.35 O ATOM 19346 O5* G 0 957 172.804 49.667 58.936 1.00737.35 O ATOM 19347 C5* G 0 957 172.934 51.027 58.528 1.00737.35 C ATOM 19348 C4* G 0 957 173.760 51.804 59.525 1.00737.35 C ATOM 19349 O4* G 0 957 175.139 51.346 59.475 1.00737.35 O ATOM 19350 C3* G 0 957 173.854 53.292 59.237 1.00737.35 C ATOM 19351 O3* G 0 957 172.724 53.977 59.770 1.00737.35 O ATOM 19352 C2* G 0 957 175.148 53.676 59.939 1.00737.35 C ATOM 19353 O2* G 0 957 174.999 53.837 61.336 1.00737.35 O ATOM 19354 C1* G 0 957 176.018 52.450 59.646 1.00737.35 C ATOM 19355 N9 G 0 957 176.833 52.585 58.440 1.00737.35 N ATOM 19356 C8 G 0 957 176.820 51.772 57.331 1.00737.35 C ATOM 19357 N7 G 0 957 177.662 52.146 56.407 1.00737.35 N ATOM 19358 C5 G 0 957 178.274 53.275 56.934 1.00737.35 C ATOM 19359 C6 G 0 957 179.277 54.120 56.385 1.00737.35 C ATOM 19360 O6 G 0 957 179.844 54.033 55.289 1.00737.35 O ATOM 19361 N1 G 0 957 179.606 55.151 57.255 1.00737.35 N ATOM 19362 C2 G 0 957 179.048 55.352 58.494 1.00737.35 C ATOM 19363 N2 G 0 957 179.497 56.407 59.182 1.00737.35 N ATOM 19364 N3 G 0 957 178.112 54.574 59.016 1.00737.35 N ATOM 19365 C4 G 0 957 177.776 53.563 58.188 1.00737.35 C ATOM 19366 P G 0 958 171.991 55.108 58.894 1.00737.35 P ATOM 19367 O1P G 0 958 170.733 55.463 59.601 1.00737.35 O ATOM 19368 O2P G 0 958 171.937 54.657 57.480 1.00737.35 O ATOM 19369 O5* G 0 958 172.978 56.356 58.978 1.00737.35 O ATOM 19370 C5* G 0 958 173.117 57.096 60.189 1.00737.35 C ATOM 19371 C4* G 0 958 174.072 58.250 59.997 1.00737.35 C ATOM 19372 O4* G 0 958 175.398 57.737 59.702 1.00737.35 O ATOM 19373 C3* G 0 958 173.772 59.179 58.832 1.00737.35 C ATOM 19374 O3* G 0 958 172.785 60.146 59.182 1.00737.35 O ATOM 19375 C2* G 0 958 175.132 59.816 58.575 1.00737.35 C ATOM 19376 O2* G 0 958 175.429 60.873 59.464 1.00737.35 O ATOM 19377 C1* G 0 958 176.074 58.637 58.837 1.00737.35 C ATOM 19378 N9 G 0 958 176.465 57.925 57.622 1.00737.35 N ATOM 19379 C8 G 0 958 176.048 56.682 57.207 1.00737.35 C ATOM 19380 N7 G 0 958 176.577 56.319 56.069 1.00737.35 N ATOM 19381 C5 G 0 958 177.390 57.385 55.711 1.00737.35 C ATOM 19382 C6 G 0 958 178.221 57.571 54.572 1.00737.35 C ATOM 19383 O6 G 0 958 178.409 56.805 53.619 1.00737.35 O ATOM 19384 N1 G 0 958 178.870 58.801 54.608 1.00737.35 N ATOM 19385 C2 G 0 958 178.741 59.733 55.609 1.00737.35 C ATOM 19386 N2 G 0 958 179.453 60.859 55.467 1.00737.35 N ATOM 19387 N3 G 0 958 177.974 59.572 56.671 1.00737.35 N ATOM 19388 C4 G 0 958 177.333 58.385 56.660 1.00737.35 C ATOM 19389 P C 0 959 171.968 60.908 58.025 1.00737.35 P ATOM 19390 O1P C 0 959 170.963 61.772 58.693 1.00737.35 O ATOM 19391 O2P C 0 959 171.521 59.911 57.019 1.00737.35 O ATOM 19392 O5* C 0 959 173.057 61.851 57.346 1.00737.35 O ATOM 19393 C5* C 0 959 173.624 62.940 58.067 1.00737.35 C ATOM 19394 C4* C 0 959 174.573 63.720 57.191 1.00737.35 C ATOM 19395 O4* C 0 959 175.708 62.886 56.840 1.00737.35 O ATOM 19396 C3* C 0 959 174.025 64.177 55.849 1.00737.35 C ATOM 19397 O3* C 0 959 173.270 65.376 55.981 1.00737.35 O ATOM 19398 C2* C 0 959 175.298 64.383 55.038 1.00737.35 C ATOM 19399 O2* C 0 959 175.936 65.616 55.312 1.00737.35 O ATOM 19400 C1* C 0 959 176.168 63.229 55.542 1.00737.35 C ATOM 19401 N1 C 0 959 176.112 62.030 54.681 1.00737.35 N ATOM 19402 C2 C 0 959 177.021 61.920 53.616 1.00737.35 C ATOM 19403 O2 C 0 959 177.848 62.828 53.431 1.00737.35 O ATOM 19404 N3 C 0 959 176.973 60.829 52.817 1.00737.35 N ATOM 19405 C4 C 0 959 176.069 59.873 53.044 1.00737.35 C ATOM 19406 N4 C 0 959 176.062 58.816 52.229 1.00737.35 N ATOM 19407 C5 C 0 959 175.135 59.957 54.119 1.00737.35 C ATOM 19408 C6 C 0 959 175.190 61.043 54.903 1.00737.35 C ATOM 19409 P U 0 960 172.205 65.776 54.845 1.00737.35 P ATOM 19410 O1P U 0 960 171.449 66.953 55.346 1.00737.35 O ATOM 19411 O2P U 0 960 171.467 64.556 54.430 1.00737.35 O ATOM 19412 O5* U 0 960 173.112 66.251 53.623 1.00737.35 O ATOM 19413 C5* U 0 960 173.937 67.410 53.731 1.00737.35 C ATOM 19414 C4* U 0 960 174.827 67.540 52.514 1.00737.35 C ATOM 19415 O4* U 0 960 175.744 66.416 52.459 1.00737.35 O ATOM 19416 C3* U 0 960 174.121 67.513 51.169 1.00737.35 C ATOM 19417 O3* U 0 960 173.610 68.797 50.832 1.00737.35 O ATOM 19418 C2* U 0 960 175.240 67.077 50.229 1.00737.35 C ATOM 19419 O2* U 0 960 176.096 68.139 49.858 1.00737.35 O ATOM 19420 C1* U 0 960 176.001 66.077 51.104 1.00737.35 C ATOM 19421 N1 U 0 960 175.601 64.675 50.880 1.00737.35 N ATOM 19422 C2 U 0 960 176.250 63.968 49.877 1.00737.35 C ATOM 19423 O2 U 0 960 177.127 64.451 49.177 1.00737.35 O ATOM 19424 N3 U 0 960 175.832 62.669 49.723 1.00737.35 N ATOM 19425 C4 U 0 960 174.856 62.016 50.447 1.00737.35 C ATOM 19426 O4 U 0 960 174.598 60.839 50.190 1.00737.35 O ATOM 19427 C5 U 0 960 174.233 62.810 51.461 1.00737.35 C ATOM 19428 C6 U 0 960 174.615 64.077 51.641 1.00737.35 C ATOM 19429 P G 0 961 172.304 68.916 49.901 1.00737.35 P ATOM 19430 O1P G 0 961 171.904 70.348 49.887 1.00737.35 O ATOM 19431 O2P G 0 961 171.322 67.887 50.330 1.00737.35 O ATOM 19432 O5* G 0 961 172.830 68.525 48.448 1.00737.35 O ATOM 19433 C5* G 0 961 173.572 69.455 47.661 1.00737.35 C ATOM 19434 C4* G 0 961 173.991 68.822 46.353 1.00737.35 C ATOM 19435 O4* G 0 961 174.926 67.742 46.613 1.00737.35 O ATOM 19436 C3* G 0 961 172.880 68.168 45.546 1.00737.35 C ATOM 19437 O3* G 0 961 172.175 69.120 44.759 1.00737.35 O ATOM 19438 C2* G 0 961 173.652 67.174 44.687 1.00737.35 C ATOM 19439 O2* G 0 961 174.258 67.766 43.557 1.00737.35 O ATOM 19440 C1* G 0 961 174.729 66.701 45.668 1.00737.35 C ATOM 19441 N9 G 0 961 174.350 65.487 46.386 1.00737.35 N ATOM 19442 C8 G 0 961 173.770 65.401 47.631 1.00737.35 C ATOM 19443 N7 G 0 961 173.542 64.171 48.007 1.00737.35 N ATOM 19444 C5 G 0 961 173.997 63.398 46.947 1.00737.35 C ATOM 19445 C6 G 0 961 174.007 61.989 46.779 1.00737.35 C ATOM 19446 O6 G 0 961 173.604 61.116 47.555 1.00737.35 O ATOM 19447 N1 G 0 961 174.560 61.626 45.554 1.00737.35 N ATOM 19448 C2 G 0 961 175.040 62.502 44.613 1.00737.35 C ATOM 19449 N2 G 0 961 175.535 61.956 43.493 1.00737.35 N ATOM 19450 N3 G 0 961 175.034 63.818 44.759 1.00737.35 N ATOM 19451 C4 G 0 961 174.501 64.193 45.942 1.00737.35 C ATOM 19452 P C 0 962 170.639 68.849 44.368 1.00737.35 P ATOM 19453 O1P C 0 962 170.171 70.017 43.581 1.00737.35 O ATOM 19454 O2P C 0 962 169.904 68.454 45.598 1.00737.35 O ATOM 19455 O5* C 0 962 170.707 67.584 43.400 1.00737.35 O ATOM 19456 C5* C 0 962 171.269 67.692 42.094 1.00737.35 C ATOM 19457 C4* C 0 962 171.212 66.361 41.376 1.00737.35 C ATOM 19458 O4* C 0 962 172.075 65.405 42.043 1.00737.35 O ATOM 19459 C3* C 0 962 169.859 65.670 41.346 1.00737.35 C ATOM 19460 O3* C 0 962 169.026 66.193 40.317 1.00737.35 O ATOM 19461 C2* C 0 962 170.248 64.222 41.079 1.00737.35 C ATOM 19462 O2* C 0 962 170.514 63.960 39.715 1.00737.35 O ATOM 19463 C1* C 0 962 171.539 64.096 41.892 1.00737.35 C ATOM 19464 N1 C 0 962 171.328 63.506 43.229 1.00737.35 N ATOM 19465 C2 C 0 962 171.374 62.106 43.364 1.00737.35 C ATOM 19466 O2 C 0 962 171.600 61.406 42.362 1.00737.35 O ATOM 19467 N3 C 0 962 171.171 61.554 44.581 1.00737.35 N ATOM 19468 C4 C 0 962 170.929 62.333 45.639 1.00737.35 C ATOM 19469 N4 C 0 962 170.730 61.740 46.819 1.00737.35 N ATOM 19470 C5 C 0 962 170.881 63.755 45.532 1.00737.35 C ATOM 19471 C6 C 0 962 171.085 64.293 44.323 1.00737.35 C ATOM 19472 P G 0 963 167.428 66.095 40.462 1.00737.35 P ATOM 19473 O1P G 0 963 166.838 66.716 39.247 1.00737.35 O ATOM 19474 O2P G 0 963 167.044 66.604 41.802 1.00737.35 O ATOM 19475 O5* G 0 963 167.135 64.529 40.421 1.00737.35 O ATOM 19476 C5* G 0 963 167.225 63.800 39.198 1.00737.35 C ATOM 19477 C4* G 0 963 166.792 62.366 39.402 1.00737.35 C ATOM 19478 O4* G 0 963 167.750 61.673 40.242 1.00737.35 O ATOM 19479 C3* G 0 963 165.465 62.158 40.112 1.00737.35 C ATOM 19480 O3* G 0 963 164.370 62.297 39.211 1.00737.35 O ATOM 19481 C2* G 0 963 165.594 60.728 40.631 1.00737.35 C ATOM 19482 O2* G 0 963 165.283 59.753 39.655 1.00737.35 O ATOM 19483 C1* G 0 963 167.085 60.655 40.974 1.00737.35 C ATOM 19484 N9 G 0 963 167.380 60.820 42.398 1.00737.35 N ATOM 19485 C8 G 0 963 167.969 61.901 43.013 1.00737.35 C ATOM 19486 N7 G 0 963 168.110 61.745 44.302 1.00737.35 N ATOM 19487 C5 G 0 963 167.579 60.487 44.556 1.00737.35 C ATOM 19488 C6 G 0 963 167.454 59.767 45.777 1.00737.35 C ATOM 19489 O6 G 0 963 167.805 60.106 46.916 1.00737.35 O ATOM 19490 N1 G 0 963 166.850 58.528 45.579 1.00737.35 N ATOM 19491 C2 G 0 963 166.426 58.040 44.369 1.00737.35 C ATOM 19492 N2 G 0 963 165.864 56.823 44.389 1.00737.35 N ATOM 19493 N3 G 0 963 166.541 58.696 43.226 1.00737.35 N ATOM 19494 C4 G 0 963 167.123 59.903 43.392 1.00737.35 C ATOM 19495 P A 0 964 162.918 62.688 39.777 1.00737.35 P ATOM 19496 O1P A 0 964 161.982 62.698 38.624 1.00737.35 O ATOM 19497 O2P A 0 964 163.051 63.904 40.623 1.00737.35 O ATOM 19498 O5* A 0 964 162.534 61.456 40.713 1.00737.35 O ATOM 19499 C5* A 0 964 161.520 61.574 41.707 1.00737.35 C ATOM 19500 C4* A 0 964 161.235 60.223 42.319 1.00737.35 C ATOM 19501 O4* A 0 964 162.470 59.655 42.831 1.00737.35 O ATOM 19502 C3* A 0 964 160.300 60.235 43.518 1.00737.35 C ATOM 19503 O3* A 0 964 158.938 60.223 43.101 1.00737.35 O ATOM 19504 C2* A 0 964 160.693 58.952 44.242 1.00737.35 C ATOM 19505 O2* A 0 964 160.111 57.794 43.678 1.00737.35 O ATOM 19506 C1* A 0 964 162.207 58.932 44.023 1.00737.35 C ATOM 19507 N9 A 0 964 162.963 59.552 45.114 1.00737.35 N ATOM 19508 C8 A 0 964 163.274 60.882 45.279 1.00737.35 C ATOM 19509 N7 A 0 964 163.965 61.133 46.363 1.00737.35 N ATOM 19510 C5 A 0 964 164.123 59.887 46.955 1.00737.35 C ATOM 19511 C6 A 0 964 164.767 59.476 48.132 1.00737.35 C ATOM 19512 N6 A 0 964 165.400 60.309 48.961 1.00737.35 N ATOM 19513 N1 A 0 964 164.739 58.161 48.436 1.00737.35 N ATOM 19514 C2 A 0 964 164.107 57.324 47.605 1.00737.35 C ATOM 19515 N3 A 0 964 163.463 57.590 46.470 1.00737.35 N ATOM 19516 C4 A 0 964 163.510 58.904 46.195 1.00737.35 C ATOM 19517 P G 0 965 157.800 60.807 44.079 1.00737.35 P ATOM 19518 O1P G 0 965 156.537 60.853 43.300 1.00737.35 O ATOM 19519 O2P G 0 965 158.312 62.048 44.716 1.00737.35 O ATOM 19520 O5* G 0 965 157.658 59.691 45.206 1.00737.35 O ATOM 19521 C5* G 0 965 157.047 58.435 44.918 1.00737.35 C ATOM 19522 C4* G 0 965 157.099 57.530 46.127 1.00737.35 C ATOM 19523 O4* G 0 965 158.480 57.191 46.422 1.00737.35 O ATOM 19524 C3* G 0 965 156.577 58.123 47.427 1.00737.35 C ATOM 19525 O3* G 0 965 155.160 58.027 47.509 1.00737.35 O ATOM 19526 C2* G 0 965 157.275 57.264 48.473 1.00737.35 C ATOM 19527 O2* G 0 965 156.641 56.015 48.677 1.00737.35 O ATOM 19528 C1* G 0 965 158.645 57.049 47.825 1.00737.35 C ATOM 19529 N9 G 0 965 159.649 58.010 48.276 1.00737.35 N ATOM 19530 C8 G 0 965 159.942 59.234 47.723 1.00737.35 C ATOM 19531 N7 G 0 965 160.885 59.873 48.358 1.00737.35 N ATOM 19532 C5 G 0 965 161.239 59.021 49.395 1.00737.35 C ATOM 19533 C6 G 0 965 162.210 59.175 50.420 1.00737.35 C ATOM 19534 O6 G 0 965 162.973 60.127 50.623 1.00737.35 O ATOM 19535 N1 G 0 965 162.244 58.068 51.260 1.00737.35 N ATOM 19536 C2 G 0 965 161.447 56.956 51.137 1.00737.35 C ATOM 19537 N2 G 0 965 161.630 55.993 52.051 1.00737.35 N ATOM 19538 N3 G 0 965 160.539 56.802 50.188 1.00737.35 N ATOM 19539 C4 G 0 965 160.489 57.864 49.358 1.00737.35 C ATOM 19540 P A 0 966 154.332 59.140 48.322 1.00737.35 P ATOM 19541 O1P A 0 966 152.893 58.790 48.212 1.00737.35 O ATOM 19542 O2P A 0 966 154.795 60.483 47.887 1.00737.35 O ATOM 19543 O5* A 0 966 154.785 58.924 49.835 1.00737.35 O ATOM 19544 C5* A 0 966 154.394 57.762 50.558 1.00737.35 C ATOM 19545 C4* A 0 966 154.873 57.846 51.989 1.00737.35 C ATOM 19546 O4* A 0 966 156.322 57.822 52.017 1.00737.35 O ATOM 19547 C3* A 0 966 154.509 59.121 52.734 1.00737.35 C ATOM 19548 O3* A 0 966 153.191 59.031 53.270 1.00737.35 O ATOM 19549 C2* A 0 966 155.565 59.166 53.837 1.00737.35 C ATOM 19550 O2* A 0 966 155.238 58.365 54.954 1.00737.35 O ATOM 19551 C1* A 0 966 156.788 58.577 53.122 1.00737.35 C ATOM 19552 N9 A 0 966 157.747 59.573 52.645 1.00737.35 N ATOM 19553 C8 A 0 966 157.731 60.297 51.477 1.00737.35 C ATOM 19554 N7 A 0 966 158.751 61.112 51.344 1.00737.35 N ATOM 19555 C5 A 0 966 159.488 60.913 52.504 1.00737.35 C ATOM 19556 C6 A 0 966 160.689 61.483 52.975 1.00737.35 C ATOM 19557 N6 A 0 966 161.387 62.407 52.310 1.00737.35 N ATOM 19558 N1 A 0 966 161.154 61.061 54.171 1.00737.35 N ATOM 19559 C2 A 0 966 160.456 60.138 54.842 1.00737.35 C ATOM 19560 N3 A 0 966 159.318 59.532 54.507 1.00737.35 N ATOM 19561 C4 A 0 966 158.883 59.969 53.312 1.00737.35 C ATOM 19562 P G 0 967 152.132 60.207 52.985 1.00737.35 P ATOM 19563 O1P G 0 967 150.842 59.801 53.601 1.00737.35 O ATOM 19564 O2P G 0 967 152.178 60.539 51.537 1.00737.35 O ATOM 19565 O5* G 0 967 152.705 61.454 53.796 1.00737.35 O ATOM 19566 C5* G 0 967 152.765 61.440 55.222 1.00737.35 C ATOM 19567 C4* G 0 967 153.696 62.527 55.713 1.00737.35 C ATOM 19568 O4* G 0 967 155.034 62.260 55.219 1.00737.35 O ATOM 19569 C3* G 0 967 153.377 63.929 55.215 1.00737.35 C ATOM 19570 O3* G 0 967 152.424 64.569 56.058 1.00737.35 O ATOM 19571 C2* G 0 967 154.736 64.615 55.286 1.00737.35 C ATOM 19572 O2* G 0 967 155.071 65.045 56.590 1.00737.35 O ATOM 19573 C1* G 0 967 155.668 63.478 54.861 1.00737.35 C ATOM 19574 N9 G 0 967 155.930 63.449 53.424 1.00737.35 N ATOM 19575 C8 G 0 967 155.086 63.004 52.434 1.00737.35 C ATOM 19576 N7 G 0 967 155.601 63.101 51.239 1.00737.35 N ATOM 19577 C5 G 0 967 156.862 63.641 51.452 1.00737.35 C ATOM 19578 C6 G 0 967 157.887 63.971 50.527 1.00737.35 C ATOM 19579 O6 G 0 967 157.886 63.847 49.297 1.00737.35 O ATOM 19580 N1 G 0 967 159.005 64.496 51.170 1.00737.35 N ATOM 19581 C2 G 0 967 159.124 64.677 52.526 1.00737.35 C ATOM 19582 N2 G 0 967 160.283 65.199 52.954 1.00737.35 N ATOM 19583 N3 G 0 967 158.177 64.372 53.398 1.00737.35 N ATOM 19584 C4 G 0 967 157.081 63.863 52.796 1.00737.35 C ATOM 19585 P C 0 968 151.046 65.115 55.436 1.00737.35 P ATOM 19586 O1P C 0 968 150.364 65.893 56.499 1.00737.35 O ATOM 19587 O2P C 0 968 150.341 63.975 54.795 1.00737.35 O ATOM 19588 O5* C 0 968 151.500 66.134 54.294 1.00737.35 O ATOM 19589 C5* C 0 968 150.540 66.677 53.387 1.00737.35 C ATOM 19590 C4* C 0 968 150.879 68.110 53.049 1.00737.35 C ATOM 19591 O4* C 0 968 151.003 68.872 54.278 1.00737.35 O ATOM 19592 C3* C 0 968 152.197 68.353 52.326 1.00737.35 C ATOM 19593 O3* C 0 968 152.024 68.170 50.921 1.00737.35 O ATOM 19594 C2* C 0 968 152.489 69.808 52.675 1.00737.35 C ATOM 19595 O2* C 0 968 151.780 70.727 51.867 1.00737.35 O ATOM 19596 C1* C 0 968 151.982 69.888 54.116 1.00737.35 C ATOM 19597 N1 C 0 968 153.044 69.700 55.125 1.00737.35 N ATOM 19598 C2 C 0 968 153.864 70.792 55.456 1.00737.35 C ATOM 19599 O2 C 0 968 153.678 71.886 54.893 1.00737.35 O ATOM 19600 N3 C 0 968 154.835 70.631 56.383 1.00737.35 N ATOM 19601 C4 C 0 968 155.009 69.444 56.970 1.00737.35 C ATOM 19602 N4 C 0 968 155.979 69.332 57.880 1.00737.35 N ATOM 19603 C5 C 0 968 154.193 68.318 56.652 1.00737.35 C ATOM 19604 C6 C 0 968 153.234 68.489 55.735 1.00737.35 C ATOM 19605 P U 0 969 153.275 68.347 49.922 1.00737.35 P ATOM 19606 O1P U 0 969 153.771 69.740 50.053 1.00737.35 O ATOM 19607 O2P U 0 969 152.861 67.844 48.587 1.00737.35 O ATOM 19608 O5* U 0 969 154.395 67.374 50.499 1.00737.35 O ATOM 19609 C5* U 0 969 155.396 66.836 49.638 1.00737.35 C ATOM 19610 C4* U 0 969 156.777 67.173 50.152 1.00737.35 C ATOM 19611 O4* U 0 969 157.749 66.659 49.201 1.00737.35 O ATOM 19612 C3* U 0 969 157.093 68.659 50.261 1.00737.35 C ATOM 19613 O3* U 0 969 156.700 69.180 51.528 1.00737.35 O ATOM 19614 C2* U 0 969 158.606 68.682 50.081 1.00737.35 C ATOM 19615 O2* U 0 969 159.310 68.314 51.250 1.00737.35 O ATOM 19616 C1* U 0 969 158.791 67.601 49.015 1.00737.35 C ATOM 19617 N1 U 0 969 158.720 68.117 47.635 1.00737.35 N ATOM 19618 C2 U 0 969 159.841 68.745 47.114 1.00737.35 C ATOM 19619 O2 U 0 969 160.879 68.891 47.741 1.00737.35 O ATOM 19620 N3 U 0 969 159.702 69.200 45.824 1.00737.35 N ATOM 19621 C4 U 0 969 158.587 69.095 45.019 1.00737.35 C ATOM 19622 O4 U 0 969 158.621 69.550 43.876 1.00737.35 O ATOM 19623 C5 U 0 969 157.471 68.437 45.627 1.00737.35 C ATOM 19624 C6 U 0 969 157.571 67.984 46.880 1.00737.35 C ATOM 19625 P A 0 970 156.581 70.772 51.740 1.00737.35 P ATOM 19626 O1P A 0 970 155.161 71.069 52.053 1.00737.35 O ATOM 19627 O2P A 0 970 157.243 71.471 50.607 1.00737.35 O ATOM 19628 O5* A 0 970 157.437 71.046 53.060 1.00737.35 O ATOM 19629 C5* A 0 970 158.734 70.479 53.215 1.00737.35 C ATOM 19630 C4* A 0 970 159.202 70.601 54.649 1.00737.35 C ATOM 19631 O4* A 0 970 158.219 70.009 55.540 1.00737.35 O ATOM 19632 C3* A 0 970 160.485 69.843 54.955 1.00737.35 C ATOM 19633 O3* A 0 970 161.635 70.606 54.604 1.00737.35 O ATOM 19634 C2* A 0 970 160.379 69.604 56.455 1.00737.35 C ATOM 19635 O2* A 0 970 160.781 70.716 57.232 1.00737.35 O ATOM 19636 C1* A 0 970 158.877 69.362 56.620 1.00737.35 C ATOM 19637 N9 A 0 970 158.510 67.943 56.601 1.00737.35 N ATOM 19638 C8 A 0 970 158.229 67.161 55.506 1.00737.35 C ATOM 19639 N7 A 0 970 157.929 65.921 55.805 1.00737.35 N ATOM 19640 C5 A 0 970 158.016 65.881 57.190 1.00737.35 C ATOM 19641 C6 A 0 970 157.809 64.847 58.120 1.00737.35 C ATOM 19642 N6 A 0 970 157.456 63.604 57.781 1.00737.35 N ATOM 19643 N1 A 0 970 157.981 65.135 59.429 1.00737.35 N ATOM 19644 C2 A 0 970 158.334 66.381 59.768 1.00737.35 C ATOM 19645 N3 A 0 970 158.554 67.436 58.988 1.00737.35 N ATOM 19646 C4 A 0 970 158.377 67.118 57.694 1.00737.35 C ATOM 19647 P A 0 971 163.016 69.856 54.261 1.00737.35 P ATOM 19648 O1P A 0 971 163.937 70.863 53.673 1.00737.35 O ATOM 19649 O2P A 0 971 162.704 68.617 53.499 1.00737.35 O ATOM 19650 O5* A 0 971 163.581 69.431 55.689 1.00737.35 O ATOM 19651 C5* A 0 971 164.068 70.415 56.600 1.00737.35 C ATOM 19652 C4* A 0 971 164.482 69.770 57.903 1.00737.35 C ATOM 19653 O4* A 0 971 163.315 69.230 58.576 1.00737.35 O ATOM 19654 C3* A 0 971 165.421 68.581 57.789 1.00737.35 C ATOM 19655 O3* A 0 971 166.765 69.017 57.633 1.00737.35 O ATOM 19656 C2* A 0 971 165.192 67.868 59.117 1.00737.35 C ATOM 19657 O2* A 0 971 165.907 68.446 60.190 1.00737.35 O ATOM 19658 C1* A 0 971 163.690 68.082 59.322 1.00737.35 C ATOM 19659 N9 A 0 971 162.875 66.952 58.879 1.00737.35 N ATOM 19660 C8 A 0 971 162.490 66.634 57.598 1.00737.35 C ATOM 19661 N7 A 0 971 161.758 65.550 57.520 1.00737.35 N ATOM 19662 C5 A 0 971 161.653 65.122 58.837 1.00737.35 C ATOM 19663 C6 A 0 971 160.999 64.024 59.424 1.00737.35 C ATOM 19664 N6 A 0 971 160.302 63.119 58.733 1.00737.35 N ATOM 19665 N1 A 0 971 161.089 63.884 60.765 1.00737.35 N ATOM 19666 C2 A 0 971 161.788 64.792 61.456 1.00737.35 C ATOM 19667 N3 A 0 971 162.444 65.863 61.019 1.00737.35 N ATOM 19668 C4 A 0 971 162.336 65.974 59.684 1.00737.35 C ATOM 19669 P C 0 972 167.747 68.232 56.631 1.00737.35 P ATOM 19670 O1P C 0 972 168.496 69.259 55.863 1.00737.35 O ATOM 19671 O2P C 0 972 166.984 67.186 55.903 1.00737.35 O ATOM 19672 O5* C 0 972 168.762 67.490 57.605 1.00737.35 O ATOM 19673 C5* C 0 972 169.908 68.158 58.124 1.00737.35 C ATOM 19674 C4* C 0 972 170.883 67.148 58.666 1.00737.35 C ATOM 19675 O4* C 0 972 172.105 67.814 59.076 1.00737.35 O ATOM 19676 C3* C 0 972 170.424 66.408 59.912 1.00737.35 C ATOM 19677 O3* C 0 972 169.570 65.316 59.573 1.00737.35 O ATOM 19678 C2* C 0 972 171.745 65.956 60.522 1.00737.35 C ATOM 19679 O2* C 0 972 172.244 64.773 59.939 1.00737.35 O ATOM 19680 C1* C 0 972 172.657 67.141 60.196 1.00737.35 C ATOM 19681 N1 C 0 972 172.778 68.096 61.316 1.00737.35 N ATOM 19682 C2 C 0 972 173.779 67.882 62.278 1.00737.35 C ATOM 19683 O2 C 0 972 174.565 66.933 62.136 1.00737.35 O ATOM 19684 N3 C 0 972 173.866 68.725 63.334 1.00737.35 N ATOM 19685 C4 C 0 972 173.013 69.746 63.448 1.00737.35 C ATOM 19686 N4 C 0 972 173.123 70.534 64.520 1.00737.35 N ATOM 19687 C5 C 0 972 172.006 69.999 62.472 1.00737.35 C ATOM 19688 C6 C 0 972 171.925 69.160 61.434 1.00737.35 C ATOM 19689 P U 0 973 168.937 64.399 60.738 1.00737.35 P ATOM 19690 O1P U 0 973 169.058 65.134 62.025 1.00737.35 O ATOM 19691 O2P U 0 973 169.530 63.045 60.612 1.00737.35 O ATOM 19692 O5* U 0 973 167.389 64.292 60.374 1.00737.35 O ATOM 19693 C5* U 0 973 166.432 64.006 61.392 1.00737.35 C ATOM 19694 C4* U 0 973 165.480 62.918 60.951 1.00737.35 C ATOM 19695 O4* U 0 973 164.449 63.446 60.082 1.00737.35 O ATOM 19696 C3* U 0 973 166.055 61.758 60.157 1.00737.35 C ATOM 19697 O3* U 0 973 166.726 60.830 61.002 1.00737.35 O ATOM 19698 C2* U 0 973 164.801 61.148 59.529 1.00737.35 C ATOM 19699 O2* U 0 973 164.126 60.255 60.392 1.00737.35 O ATOM 19700 C1* U 0 973 163.928 62.388 59.294 1.00737.35 C ATOM 19701 N1 U 0 973 163.834 62.815 57.887 1.00737.35 N ATOM 19702 C2 U 0 973 162.905 62.164 57.086 1.00737.35 C ATOM 19703 O2 U 0 973 162.185 61.263 57.493 1.00737.35 O ATOM 19704 N3 U 0 973 162.850 62.604 55.787 1.00737.35 N ATOM 19705 C4 U 0 973 163.605 63.602 55.214 1.00737.35 C ATOM 19706 O4 U 0 973 163.436 63.881 54.023 1.00737.35 O ATOM 19707 C5 U 0 973 164.545 64.223 56.098 1.00737.35 C ATOM 19708 C6 U 0 973 164.625 63.820 57.373 1.00737.35 C ATOM 19709 P U 0 974 167.840 59.850 60.384 1.00737.35 P ATOM 19710 O1P U 0 974 168.565 59.227 61.520 1.00737.35 O ATOM 19711 O2P U 0 974 168.603 60.593 59.349 1.00737.35 O ATOM 19712 O5* U 0 974 166.990 58.722 59.644 1.00737.35 O ATOM 19713 C5* U 0 974 166.253 57.755 60.389 1.00737.35 C ATOM 19714 C4* U 0 974 165.390 56.925 59.469 1.00737.35 C ATOM 19715 O4* U 0 974 164.388 57.773 58.846 1.00737.35 O ATOM 19716 C3* U 0 974 166.098 56.278 58.291 1.00737.35 C ATOM 19717 O3* U 0 974 166.742 55.067 58.672 1.00737.35 O ATOM 19718 C2* U 0 974 164.949 56.037 57.318 1.00737.35 C ATOM 19719 O2* U 0 974 164.195 54.881 57.622 1.00737.35 O ATOM 19720 C1* U 0 974 164.093 57.287 57.544 1.00737.35 C ATOM 19721 N1 U 0 974 164.350 58.355 56.563 1.00737.35 N ATOM 19722 C2 U 0 974 163.612 58.342 55.386 1.00737.35 C ATOM 19723 O2 U 0 974 162.766 57.497 55.139 1.00737.35 O ATOM 19724 N3 U 0 974 163.902 59.360 54.509 1.00737.35 N ATOM 19725 C4 U 0 974 164.831 60.364 54.680 1.00737.35 C ATOM 19726 O4 U 0 974 164.987 61.200 53.788 1.00737.35 O ATOM 19727 C5 U 0 974 165.549 60.313 55.916 1.00737.35 C ATOM 19728 C6 U 0 974 165.291 59.338 56.792 1.00737.35 C ATOM 19729 P C 0 975 167.971 54.510 57.796 1.00737.35 P ATOM 19730 O1P C 0 975 168.502 53.308 58.488 1.00737.35 O ATOM 19731 O2P C 0 975 168.885 55.643 57.493 1.00737.35 O ATOM 19732 O5* C 0 975 167.287 54.047 56.434 1.00737.35 O ATOM 19733 C5* C 0 975 166.381 52.946 56.408 1.00737.35 C ATOM 19734 C4* C 0 975 165.783 52.784 55.028 1.00737.35 C ATOM 19735 O4* C 0 975 164.935 53.923 54.723 1.00737.35 O ATOM 19736 C3* C 0 975 166.773 52.747 53.877 1.00737.35 C ATOM 19737 O3* C 0 975 167.344 51.454 53.715 1.00737.35 O ATOM 19738 C2* C 0 975 165.902 53.146 52.693 1.00737.35 C ATOM 19739 O2* C 0 975 165.118 52.081 52.192 1.00737.35 O ATOM 19740 C1* C 0 975 164.998 54.206 53.331 1.00737.35 C ATOM 19741 N1 C 0 975 165.505 55.581 53.143 1.00737.35 N ATOM 19742 C2 C 0 975 165.174 56.273 51.966 1.00737.35 C ATOM 19743 O2 C 0 975 164.450 55.720 51.121 1.00737.35 O ATOM 19744 N3 C 0 975 165.650 57.526 51.781 1.00737.35 N ATOM 19745 C4 C 0 975 166.423 58.091 52.710 1.00737.35 C ATOM 19746 N4 C 0 975 166.876 59.326 52.482 1.00737.35 N ATOM 19747 C5 C 0 975 166.770 57.416 53.916 1.00737.35 C ATOM 19748 C6 C 0 975 166.294 56.177 54.092 1.00737.35 C ATOM 19749 P C 0 976 168.769 51.300 52.986 1.00737.35 P ATOM 19750 O1P C 0 976 169.222 49.900 53.192 1.00737.35 O ATOM 19751 O2P C 0 976 169.637 52.423 53.416 1.00737.35 O ATOM 19752 O5* C 0 976 168.429 51.502 51.441 1.00737.35 O ATOM 19753 C5* C 0 976 167.711 50.505 50.721 1.00737.35 C ATOM 19754 C4* C 0 976 167.613 50.870 49.257 1.00737.35 C ATOM 19755 O4* C 0 976 166.758 52.030 49.087 1.00737.35 O ATOM 19756 C3* C 0 976 168.906 51.273 48.569 1.00737.35 C ATOM 19757 O3* C 0 976 169.674 50.132 48.199 1.00737.35 O ATOM 19758 C2* C 0 976 168.394 52.037 47.351 1.00737.35 C ATOM 19759 O2* C 0 976 168.004 51.188 46.289 1.00737.35 O ATOM 19760 C1* C 0 976 167.162 52.744 47.926 1.00737.35 C ATOM 19761 N1 C 0 976 167.402 54.158 48.281 1.00737.35 N ATOM 19762 C2 C 0 976 167.252 55.137 47.284 1.00737.35 C ATOM 19763 O2 C 0 976 166.916 54.792 46.141 1.00737.35 O ATOM 19764 N3 C 0 976 167.475 56.434 47.595 1.00737.35 N ATOM 19765 C4 C 0 976 167.832 56.774 48.833 1.00737.35 C ATOM 19766 N4 C 0 976 168.040 58.070 49.089 1.00737.35 N ATOM 19767 C5 C 0 976 167.989 55.803 49.867 1.00737.35 C ATOM 19768 C6 C 0 976 167.768 54.520 49.550 1.00737.35 C ATOM 19769 P G 0 977 171.257 50.279 47.961 1.00737.35 P ATOM 19770 O1P G 0 977 171.805 48.912 47.777 1.00737.35 O ATOM 19771 O2P G 0 977 171.819 51.156 49.019 1.00737.35 O ATOM 19772 O5* G 0 977 171.359 51.050 46.569 1.00737.35 O ATOM 19773 C5* G 0 977 170.912 50.436 45.364 1.00737.35 C ATOM 19774 C4* G 0 977 171.021 51.401 44.204 1.00737.35 C ATOM 19775 O4* G 0 977 170.104 52.508 44.399 1.00737.35 O ATOM 19776 C3* G 0 977 172.374 52.064 44.015 1.00737.35 C ATOM 19777 O3* G 0 977 173.254 51.213 43.285 1.00737.35 O ATOM 19778 C2* G 0 977 172.013 53.318 43.224 1.00737.35 C ATOM 19779 O2* G 0 977 171.878 53.080 41.836 1.00737.35 O ATOM 19780 C1* G 0 977 170.650 53.682 43.822 1.00737.35 C ATOM 19781 N9 G 0 977 170.707 54.727 44.843 1.00737.35 N ATOM 19782 C8 G 0 977 170.826 54.560 46.202 1.00737.35 C ATOM 19783 N7 G 0 977 170.845 55.689 46.859 1.00737.35 N ATOM 19784 C5 G 0 977 170.731 56.662 45.873 1.00737.35 C ATOM 19785 C6 G 0 977 170.693 58.078 45.976 1.00737.35 C ATOM 19786 O6 G 0 977 170.753 58.780 46.994 1.00737.35 O ATOM 19787 N1 G 0 977 170.570 58.677 44.727 1.00737.35 N ATOM 19788 C2 G 0 977 170.495 58.006 43.532 1.00737.35 C ATOM 19789 N2 G 0 977 170.382 58.767 42.432 1.00737.35 N ATOM 19790 N3 G 0 977 170.528 56.688 43.421 1.00737.35 N ATOM 19791 C4 G 0 977 170.647 56.084 44.623 1.00737.35 C ATOM 19792 P U 0 978 174.839 51.297 43.540 1.00737.35 P ATOM 19793 O1P U 0 978 175.477 50.274 42.670 1.00737.35 O ATOM 19794 O2P U 0 978 175.087 51.270 45.004 1.00737.35 O ATOM 19795 O5* U 0 978 175.240 52.739 42.991 1.00737.35 O ATOM 19796 C5* U 0 978 175.140 53.046 41.601 1.00737.35 C ATOM 19797 C4* U 0 978 175.300 54.532 41.382 1.00737.35 C ATOM 19798 O4* U 0 978 174.205 55.236 42.023 1.00737.35 O ATOM 19799 C3* U 0 978 176.551 55.155 41.980 1.00737.35 C ATOM 19800 O3* U 0 978 177.667 54.995 41.110 1.00737.35 O ATOM 19801 C2* U 0 978 176.140 56.614 42.139 1.00737.35 C ATOM 19802 O2* U 0 978 176.234 57.353 40.938 1.00737.35 O ATOM 19803 C1* U 0 978 174.670 56.471 42.547 1.00737.35 C ATOM 19804 N1 U 0 978 174.461 56.473 44.006 1.00737.35 N ATOM 19805 C2 U 0 978 174.239 57.695 44.628 1.00737.35 C ATOM 19806 O2 U 0 978 174.208 58.756 44.024 1.00737.35 O ATOM 19807 N3 U 0 978 174.057 57.626 45.986 1.00737.35 N ATOM 19808 C4 U 0 978 174.071 56.492 46.773 1.00737.35 C ATOM 19809 O4 U 0 978 173.891 56.596 47.988 1.00737.35 O ATOM 19810 C5 U 0 978 174.303 55.274 46.062 1.00737.35 C ATOM 19811 C6 U 0 978 174.485 55.304 44.738 1.00737.35 C ATOM 19812 P A 0 979 179.127 54.729 41.727 1.00737.35 P ATOM 19813 O1P A 0 979 179.983 54.224 40.621 1.00737.35 O ATOM 19814 O2P A 0 979 178.982 53.924 42.967 1.00737.35 O ATOM 19815 O5* A 0 979 179.636 56.184 42.138 1.00737.35 O ATOM 19816 C5* A 0 979 180.267 57.037 41.187 1.00737.35 C ATOM 19817 C4* A 0 979 180.666 58.343 41.832 1.00737.35 C ATOM 19818 O4* A 0 979 179.479 59.106 42.173 1.00737.35 O ATOM 19819 C3* A 0 979 181.425 58.230 43.144 1.00737.35 C ATOM 19820 O3* A 0 979 182.811 57.996 42.923 1.00737.35 O ATOM 19821 C2* A 0 979 181.161 59.588 43.784 1.00737.35 C ATOM 19822 O2* A 0 979 181.996 60.612 43.278 1.00737.35 O ATOM 19823 C1* A 0 979 179.713 59.846 43.363 1.00737.35 C ATOM 19824 N9 A 0 979 178.733 59.430 44.369 1.00737.35 N ATOM 19825 C8 A 0 979 178.131 58.203 44.511 1.00737.35 C ATOM 19826 N7 A 0 979 177.296 58.135 45.518 1.00737.35 N ATOM 19827 C5 A 0 979 177.349 59.404 46.078 1.00737.35 C ATOM 19828 C6 A 0 979 176.691 59.978 47.180 1.00737.35 C ATOM 19829 N6 A 0 979 175.816 59.324 47.948 1.00737.35 N ATOM 19830 N1 A 0 979 176.966 61.268 47.475 1.00737.35 N ATOM 19831 C2 A 0 979 177.843 61.926 46.707 1.00737.35 C ATOM 19832 N3 A 0 979 178.524 61.497 45.646 1.00737.35 N ATOM 19833 C4 A 0 979 178.228 60.213 45.381 1.00737.35 C ATOM 19834 P G 0 980 183.701 57.320 44.081 1.00737.35 P ATOM 19835 O1P G 0 980 185.038 57.039 43.497 1.00737.35 O ATOM 19836 O2P G 0 980 182.925 56.215 44.700 1.00737.35 O ATOM 19837 O5* G 0 980 183.865 58.481 45.159 1.00737.35 O ATOM 19838 C5* G 0 980 184.582 59.672 44.844 1.00737.35 C ATOM 19839 C4* G 0 980 184.358 60.724 45.906 1.00737.35 C ATOM 19840 O4* G 0 980 182.948 61.063 45.963 1.00737.35 O ATOM 19841 C3* G 0 980 184.694 60.323 47.334 1.00737.35 C ATOM 19842 O3* G 0 980 186.087 60.463 47.598 1.00737.35 O ATOM 19843 C2* G 0 980 183.865 61.314 48.141 1.00737.35 C ATOM 19844 O2* G 0 980 184.465 62.591 48.242 1.00737.35 O ATOM 19845 C1* G 0 980 182.593 61.409 47.293 1.00737.35 C ATOM 19846 N9 G 0 980 181.537 60.507 47.749 1.00737.35 N ATOM 19847 C8 G 0 980 181.315 59.208 47.353 1.00737.35 C ATOM 19848 N7 G 0 980 180.294 58.657 47.954 1.00737.35 N ATOM 19849 C5 G 0 980 179.813 59.650 48.793 1.00737.35 C ATOM 19850 C6 G 0 980 178.720 59.640 49.700 1.00737.35 C ATOM 19851 O6 G 0 980 177.932 58.719 49.950 1.00737.35 O ATOM 19852 N1 G 0 980 178.583 60.861 50.352 1.00737.35 N ATOM 19853 C2 G 0 980 179.393 61.954 50.161 1.00737.35 C ATOM 19854 N2 G 0 980 179.103 63.042 50.887 1.00737.35 N ATOM 19855 N3 G 0 980 180.414 61.976 49.323 1.00737.35 N ATOM 19856 C4 G 0 980 180.566 60.799 48.679 1.00737.35 C ATOM 19857 P C 0 981 186.755 59.651 48.815 1.00737.35 P ATOM 19858 O1P C 0 981 188.218 59.890 48.747 1.00737.35 O ATOM 19859 O2P C 0 981 186.237 58.258 48.799 1.00737.35 O ATOM 19860 O5* C 0 981 186.192 60.378 50.118 1.00737.35 O ATOM 19861 C5* C 0 981 186.518 61.738 50.394 1.00737.35 C ATOM 19862 C4* C 0 981 185.624 62.287 51.483 1.00737.35 C ATOM 19863 O4* C 0 981 184.240 62.201 51.060 1.00737.35 O ATOM 19864 C3* C 0 981 185.647 61.543 52.810 1.00737.35 C ATOM 19865 O3* C 0 981 186.743 61.954 53.616 1.00737.35 O ATOM 19866 C2* C 0 981 184.310 61.946 53.423 1.00737.35 C ATOM 19867 O2* C 0 981 184.336 63.224 54.027 1.00737.35 O ATOM 19868 C1* C 0 981 183.407 61.976 52.186 1.00737.35 C ATOM 19869 N1 C 0 981 182.656 60.719 51.986 1.00737.35 N ATOM 19870 C2 C 0 981 181.359 60.617 52.512 1.00737.35 C ATOM 19871 O2 C 0 981 180.871 61.589 53.114 1.00737.35 O ATOM 19872 N3 C 0 981 180.669 59.465 52.350 1.00737.35 N ATOM 19873 C4 C 0 981 181.221 58.441 51.696 1.00737.35 C ATOM 19874 N4 C 0 981 180.501 57.323 51.569 1.00737.35 N ATOM 19875 C5 C 0 981 182.531 58.517 51.144 1.00737.35 C ATOM 19876 C6 C 0 981 183.207 59.664 51.311 1.00737.35 C ATOM 19877 P C 0 982 187.351 60.945 54.710 1.00737.35 P ATOM 19878 O1P C 0 982 188.555 61.595 55.288 1.00737.35 O ATOM 19879 O2P C 0 982 187.468 59.600 54.090 1.00737.35 O ATOM 19880 O5* C 0 982 186.226 60.872 55.839 1.00737.35 O ATOM 19881 C5* C 0 982 185.924 62.008 56.649 1.00737.35 C ATOM 19882 C4* C 0 982 184.805 61.687 57.612 1.00737.35 C ATOM 19883 O4* C 0 982 183.591 61.407 56.870 1.00737.35 O ATOM 19884 C3* C 0 982 185.004 60.453 58.479 1.00737.35 C ATOM 19885 O3* C 0 982 185.770 60.767 59.639 1.00737.35 O ATOM 19886 C2* C 0 982 183.573 60.079 58.847 1.00737.35 C ATOM 19887 O2* C 0 982 183.064 60.830 59.932 1.00737.35 O ATOM 19888 C1* C 0 982 182.817 60.443 57.566 1.00737.35 C ATOM 19889 N1 C 0 982 182.557 59.294 56.673 1.00737.35 N ATOM 19890 C2 C 0 982 181.480 58.440 56.965 1.00737.35 C ATOM 19891 O2 C 0 982 180.777 58.672 57.964 1.00737.35 O ATOM 19892 N3 C 0 982 181.230 57.388 56.155 1.00737.35 N ATOM 19893 C4 C 0 982 182.005 57.167 55.090 1.00737.35 C ATOM 19894 N4 C 0 982 181.720 56.116 54.319 1.00737.35 N ATOM 19895 C5 C 0 982 183.104 58.016 54.768 1.00737.35 C ATOM 19896 C6 C 0 982 183.343 59.056 55.580 1.00737.35 C ATOM 19897 P G 0 983 186.867 59.722 60.180 1.00737.35 P ATOM 19898 O1P G 0 983 187.302 60.208 61.517 1.00737.35 O ATOM 19899 O2P G 0 983 187.878 59.509 59.115 1.00737.35 O ATOM 19900 O5* G 0 983 186.056 58.365 60.377 1.00737.35 O ATOM 19901 C5* G 0 983 185.071 58.239 61.401 1.00737.35 C ATOM 19902 C4* G 0 983 184.255 56.982 61.195 1.00737.35 C ATOM 19903 O4* G 0 983 183.571 57.058 59.918 1.00737.35 O ATOM 19904 C3* G 0 983 185.040 55.678 61.125 1.00737.35 C ATOM 19905 O3* G 0 983 185.284 55.169 62.434 1.00737.35 O ATOM 19906 C2* G 0 983 184.095 54.776 60.342 1.00737.35 C ATOM 19907 O2* G 0 983 183.073 54.218 61.144 1.00737.35 O ATOM 19908 C1* G 0 983 183.484 55.764 59.346 1.00737.35 C ATOM 19909 N9 G 0 983 184.155 55.781 58.046 1.00737.35 N ATOM 19910 C8 G 0 983 185.152 56.632 57.635 1.00737.35 C ATOM 19911 N7 G 0 983 185.547 56.405 56.411 1.00737.35 N ATOM 19912 C5 G 0 983 184.765 55.337 55.988 1.00737.35 C ATOM 19913 C6 G 0 983 184.740 54.652 54.746 1.00737.35 C ATOM 19914 O6 G 0 983 185.424 54.858 53.738 1.00737.35 O ATOM 19915 N1 G 0 983 183.796 53.628 54.747 1.00737.35 N ATOM 19916 C2 G 0 983 182.980 53.306 55.803 1.00737.35 C ATOM 19917 N2 G 0 983 182.135 52.284 55.610 1.00737.35 N ATOM 19918 N3 G 0 983 182.991 53.941 56.964 1.00737.35 N ATOM 19919 C4 G 0 983 183.902 54.938 56.987 1.00737.35 C ATOM 19920 P A 0 984 186.409 54.041 62.661 1.00737.35 P ATOM 19921 O1P A 0 984 186.216 52.993 61.627 1.00737.35 O ATOM 19922 O2P A 0 984 186.383 53.664 64.100 1.00737.35 O ATOM 19923 O5* A 0 984 187.784 54.787 62.352 1.00737.35 O ATOM 19924 C5* A 0 984 188.961 54.504 63.110 1.00737.35 C ATOM 19925 C4* A 0 984 190.176 54.482 62.209 1.00737.35 C ATOM 19926 O4* A 0 984 190.059 53.385 61.266 1.00737.35 O ATOM 19927 C3* A 0 984 190.390 55.712 61.340 1.00737.35 C ATOM 19928 O3* A 0 984 191.085 56.723 62.062 1.00737.35 O ATOM 19929 C2* A 0 984 191.235 55.161 60.198 1.00737.35 C ATOM 19930 O2* A 0 984 192.608 55.074 60.526 1.00737.35 O ATOM 19931 C1* A 0 984 190.653 53.753 60.033 1.00737.35 C ATOM 19932 N9 A 0 984 189.643 53.642 58.977 1.00737.35 N ATOM 19933 C8 A 0 984 188.283 53.501 59.116 1.00737.35 C ATOM 19934 N7 A 0 984 187.639 53.412 57.979 1.00737.35 N ATOM 19935 C5 A 0 984 188.640 53.504 57.021 1.00737.35 C ATOM 19936 C6 A 0 984 188.611 53.474 55.616 1.00737.35 C ATOM 19937 N6 A 0 984 187.495 53.331 54.902 1.00737.35 N ATOM 19938 N1 A 0 984 189.786 53.593 54.962 1.00737.35 N ATOM 19939 C2 A 0 984 190.907 53.731 55.678 1.00737.35 C ATOM 19940 N3 A 0 984 191.064 53.770 56.999 1.00737.35 N ATOM 19941 C4 A 0 984 189.879 53.650 57.622 1.00737.35 C ATOM 19942 P G 0 985 190.792 58.276 61.753 1.00737.35 P ATOM 19943 O1P G 0 985 191.428 59.065 62.840 1.00737.35 O ATOM 19944 O2P G 0 985 189.342 58.437 61.486 1.00737.35 O ATOM 19945 O5* G 0 985 191.591 58.573 60.408 1.00737.35 O ATOM 19946 C5* G 0 985 191.478 59.836 59.754 1.00737.35 C ATOM 19947 C4* G 0 985 192.822 60.282 59.227 1.00737.35 C ATOM 19948 O4* G 0 985 193.361 59.269 58.342 1.00737.35 O ATOM 19949 C3* G 0 985 192.797 61.554 58.393 1.00737.35 C ATOM 19950 O3* G 0 985 192.910 62.694 59.240 1.00737.35 O ATOM 19951 C2* G 0 985 194.036 61.405 57.515 1.00737.35 C ATOM 19952 O2* G 0 985 195.224 61.828 58.155 1.00737.35 O ATOM 19953 C1* G 0 985 194.089 59.891 57.300 1.00737.35 C ATOM 19954 N9 G 0 985 193.575 59.419 56.016 1.00737.35 N ATOM 19955 C8 G 0 985 194.312 59.159 54.888 1.00737.35 C ATOM 19956 N7 G 0 985 193.589 58.739 53.886 1.00737.35 N ATOM 19957 C5 G 0 985 192.293 58.723 54.381 1.00737.35 C ATOM 19958 C6 G 0 985 191.075 58.349 53.754 1.00737.35 C ATOM 19959 O6 G 0 985 190.894 57.951 52.596 1.00737.35 O ATOM 19960 N1 G 0 985 189.996 58.477 54.619 1.00737.35 N ATOM 19961 C2 G 0 985 190.074 58.905 55.921 1.00737.35 C ATOM 19962 N2 G 0 985 188.917 58.957 56.595 1.00737.35 N ATOM 19963 N3 G 0 985 191.201 59.260 56.518 1.00737.35 N ATOM 19964 C4 G 0 985 192.265 59.143 55.694 1.00737.35 C ATOM 19965 P A 0 986 191.806 63.862 59.168 1.00737.35 P ATOM 19966 O1P A 0 986 190.567 63.342 59.798 1.00737.35 O ATOM 19967 O2P A 0 986 191.757 64.384 57.778 1.00737.35 O ATOM 19968 O5* A 0 986 192.403 65.001 60.110 1.00737.35 O ATOM 19969 C5* A 0 986 192.878 64.694 61.419 1.00737.35 C ATOM 19970 C4* A 0 986 194.362 64.968 61.515 1.00737.35 C ATOM 19971 O4* A 0 986 195.054 64.160 60.525 1.00737.35 O ATOM 19972 C3* A 0 986 194.796 66.391 61.205 1.00737.35 C ATOM 19973 O3* A 0 986 194.702 67.223 62.358 1.00737.35 O ATOM 19974 C2* A 0 986 196.245 66.199 60.776 1.00737.35 C ATOM 19975 O2* A 0 986 197.134 66.052 61.866 1.00737.35 O ATOM 19976 C1* A 0 986 196.156 64.884 59.999 1.00737.35 C ATOM 19977 N9 A 0 986 195.947 65.078 58.563 1.00737.35 N ATOM 19978 C8 A 0 986 194.759 65.095 57.872 1.00737.35 C ATOM 19979 N7 A 0 986 194.898 65.297 56.584 1.00737.35 N ATOM 19980 C5 A 0 986 196.270 65.422 56.412 1.00737.35 C ATOM 19981 C6 A 0 986 197.064 65.648 55.275 1.00737.35 C ATOM 19982 N6 A 0 986 196.571 65.796 54.044 1.00737.35 N ATOM 19983 N1 A 0 986 198.402 65.721 55.447 1.00737.35 N ATOM 19984 C2 A 0 986 198.898 65.572 56.683 1.00737.35 C ATOM 19985 N3 A 0 986 198.256 65.355 57.828 1.00737.35 N ATOM 19986 C4 A 0 986 196.929 65.289 57.623 1.00737.35 C ATOM 19987 P G 0 987 194.127 68.720 62.218 1.00737.35 P ATOM 19988 O1P G 0 987 194.529 69.465 63.438 1.00737.35 O ATOM 19989 O2P G 0 987 192.692 68.633 61.852 1.00737.35 O ATOM 19990 O5* G 0 987 194.922 69.332 60.978 1.00737.35 O ATOM 19991 C5* G 0 987 196.342 69.481 61.012 1.00737.35 C ATOM 19992 C4* G 0 987 196.844 70.002 59.685 1.00737.35 C ATOM 19993 O4* G 0 987 196.549 69.035 58.643 1.00737.35 O ATOM 19994 C3* G 0 987 196.197 71.291 59.205 1.00737.35 C ATOM 19995 O3* G 0 987 196.860 72.420 59.770 1.00737.35 O ATOM 19996 C2* G 0 987 196.385 71.212 57.695 1.00737.35 C ATOM 19997 O2* G 0 987 197.676 71.606 57.276 1.00737.35 O ATOM 19998 C1* G 0 987 196.197 69.711 57.445 1.00737.35 C ATOM 19999 N9 G 0 987 194.832 69.331 57.084 1.00737.35 N ATOM 20000 C8 G 0 987 193.896 68.737 57.899 1.00737.35 C ATOM 20001 N7 G 0 987 192.765 68.501 57.293 1.00737.35 N ATOM 20002 C5 G 0 987 192.961 68.970 56.001 1.00737.35 C ATOM 20003 C6 G 0 987 192.081 68.984 54.887 1.00737.35 C ATOM 20004 O6 G 0 987 190.918 68.567 54.815 1.00737.35 O ATOM 20005 N1 G 0 987 192.683 69.555 53.770 1.00737.35 N ATOM 20006 C2 G 0 987 193.962 70.047 53.725 1.00737.35 C ATOM 20007 N2 G 0 987 194.354 70.563 52.549 1.00737.35 N ATOM 20008 N3 G 0 987 194.794 70.037 54.754 1.00737.35 N ATOM 20009 C4 G 0 987 194.230 69.490 55.854 1.00737.35 C ATOM 20010 P G 0 988 196.020 73.738 60.140 1.00737.35 P ATOM 20011 O1P G 0 988 196.929 74.643 60.891 1.00737.35 O ATOM 20012 O2P G 0 988 194.731 73.323 60.752 1.00737.35 O ATOM 20013 O5* G 0 988 195.707 74.401 58.723 1.00737.35 O ATOM 20014 C5* G 0 988 196.714 75.111 58.007 1.00737.35 C ATOM 20015 C4* G 0 988 196.161 75.636 56.704 1.00737.35 C ATOM 20016 O4* G 0 988 195.847 74.523 55.825 1.00737.35 O ATOM 20017 C3* G 0 988 194.856 76.411 56.813 1.00737.35 C ATOM 20018 O3* G 0 988 195.086 77.771 57.157 1.00737.35 O ATOM 20019 C2* G 0 988 194.276 76.258 55.412 1.00737.35 C ATOM 20020 O2* G 0 988 194.843 77.154 54.477 1.00737.35 O ATOM 20021 C1* G 0 988 194.681 74.822 55.072 1.00737.35 C ATOM 20022 N9 G 0 988 193.650 73.840 55.401 1.00737.35 N ATOM 20023 C8 G 0 988 193.602 73.020 56.507 1.00737.35 C ATOM 20024 N7 G 0 988 192.549 72.249 56.527 1.00737.35 N ATOM 20025 C5 G 0 988 191.864 72.573 55.364 1.00737.35 C ATOM 20026 C6 G 0 988 190.645 72.061 54.845 1.00737.35 C ATOM 20027 O6 G 0 988 189.907 71.193 55.323 1.00737.35 O ATOM 20028 N1 G 0 988 190.311 72.670 53.639 1.00737.35 N ATOM 20029 C2 G 0 988 191.047 73.644 53.012 1.00737.35 C ATOM 20030 N2 G 0 988 190.557 74.107 51.855 1.00737.35 N ATOM 20031 N3 G 0 988 192.183 74.128 53.486 1.00737.35 N ATOM 20032 C4 G 0 988 192.530 73.553 54.657 1.00737.35 C ATOM 20033 P G 0 989 193.980 78.573 58.007 1.00737.35 P ATOM 20034 O1P G 0 989 194.512 79.942 58.238 1.00737.35 O ATOM 20035 O2P G 0 989 193.581 77.737 59.169 1.00737.35 O ATOM 20036 O5* G 0 989 192.736 78.676 57.016 1.00737.35 O ATOM 20037 C5* G 0 989 192.768 79.550 55.889 1.00737.35 C ATOM 20038 C4* G 0 989 191.451 79.508 55.148 1.00737.35 C ATOM 20039 O4* G 0 989 191.262 78.197 54.556 1.00737.35 O ATOM 20040 C3* G 0 989 190.203 79.711 55.992 1.00737.35 C ATOM 20041 O3* G 0 989 189.953 81.095 56.220 1.00737.35 O ATOM 20042 C2* G 0 989 189.123 79.069 55.127 1.00737.35 C ATOM 20043 O2* G 0 989 188.667 79.915 54.089 1.00737.35 O ATOM 20044 C1* G 0 989 189.879 77.878 54.530 1.00737.35 C ATOM 20045 N9 G 0 989 189.668 76.631 55.262 1.00737.35 N ATOM 20046 C8 G 0 989 190.499 76.062 56.199 1.00737.35 C ATOM 20047 N7 G 0 989 190.037 74.940 56.680 1.00737.35 N ATOM 20048 C5 G 0 989 188.827 74.755 56.020 1.00737.35 C ATOM 20049 C6 G 0 989 187.874 73.708 56.126 1.00737.35 C ATOM 20050 O6 G 0 989 187.907 72.703 56.845 1.00737.35 O ATOM 20051 N1 G 0 989 186.790 73.917 55.278 1.00737.35 N ATOM 20052 C2 G 0 989 186.642 74.993 54.436 1.00737.35 C ATOM 20053 N2 G 0 989 185.523 75.016 53.697 1.00737.35 N ATOM 20054 N3 G 0 989 187.524 75.971 54.327 1.00737.35 N ATOM 20055 C4 G 0 989 188.584 75.789 55.141 1.00737.35 C ATOM 20056 P A 0 990 189.085 81.547 57.497 1.00737.35 P ATOM 20057 O1P A 0 990 189.111 83.032 57.543 1.00737.35 O ATOM 20058 O2P A 0 990 189.542 80.771 58.678 1.00737.35 O ATOM 20059 O5* A 0 990 187.605 81.084 57.138 1.00737.35 O ATOM 20060 C5* A 0 990 186.863 81.735 56.106 1.00737.35 C ATOM 20061 C4* A 0 990 185.510 81.084 55.936 1.00737.35 C ATOM 20062 O4* A 0 990 185.676 79.724 55.452 1.00737.35 O ATOM 20063 C3* A 0 990 184.676 80.929 57.198 1.00737.35 C ATOM 20064 O3* A 0 990 183.984 82.137 57.502 1.00737.35 O ATOM 20065 C2* A 0 990 183.729 79.798 56.819 1.00737.35 C ATOM 20066 O2* A 0 990 182.633 80.227 56.036 1.00737.35 O ATOM 20067 C1* A 0 990 184.646 78.903 55.981 1.00737.35 C ATOM 20068 N9 A 0 990 185.262 77.822 56.755 1.00737.35 N ATOM 20069 C8 A 0 990 186.488 77.818 57.379 1.00737.35 C ATOM 20070 N7 A 0 990 186.758 76.697 58.004 1.00737.35 N ATOM 20071 C5 A 0 990 185.640 75.909 57.776 1.00737.35 C ATOM 20072 C6 A 0 990 185.305 74.602 58.173 1.00737.35 C ATOM 20073 N6 A 0 990 186.100 73.829 58.917 1.00737.35 N ATOM 20074 N1 A 0 990 184.112 74.111 57.775 1.00737.35 N ATOM 20075 C2 A 0 990 183.315 74.886 57.030 1.00737.35 C ATOM 20076 N3 A 0 990 183.516 76.127 56.593 1.00737.35 N ATOM 20077 C4 A 0 990 184.713 76.587 57.005 1.00737.35 C ATOM 20078 P A 0 991 183.439 82.393 58.995 1.00737.35 P ATOM 20079 O1P A 0 991 182.295 81.472 59.213 1.00737.35 O ATOM 20080 O2P A 0 991 183.245 83.856 59.170 1.00737.35 O ATOM 20081 O5* A 0 991 184.632 81.930 59.947 1.00737.35 O ATOM 20082 C5* A 0 991 185.930 82.510 59.842 1.00737.35 C ATOM 20083 C4* A 0 991 186.595 82.557 61.201 1.00737.35 C ATOM 20084 O4* A 0 991 185.824 83.422 62.076 1.00737.35 O ATOM 20085 C3* A 0 991 186.673 81.232 61.948 1.00737.35 C ATOM 20086 O3* A 0 991 187.821 80.485 61.563 1.00737.35 O ATOM 20087 C2* A 0 991 186.762 81.686 63.399 1.00737.35 C ATOM 20088 O2* A 0 991 188.068 82.076 63.781 1.00737.35 O ATOM 20089 C1* A 0 991 185.836 82.905 63.395 1.00737.35 C ATOM 20090 N9 A 0 991 184.462 82.595 63.784 1.00737.35 N ATOM 20091 C8 A 0 991 183.473 82.023 63.018 1.00737.35 C ATOM 20092 N7 A 0 991 182.334 81.877 63.648 1.00737.35 N ATOM 20093 C5 A 0 991 182.587 82.383 64.915 1.00737.35 C ATOM 20094 C6 A 0 991 181.780 82.518 66.057 1.00737.35 C ATOM 20095 N6 A 0 991 180.501 82.136 66.111 1.00737.35 N ATOM 20096 N1 A 0 991 182.337 83.066 67.158 1.00737.35 N ATOM 20097 C2 A 0 991 183.618 83.449 67.105 1.00737.35 C ATOM 20098 N3 A 0 991 184.478 83.375 66.093 1.00737.35 N ATOM 20099 C4 A 0 991 183.894 82.827 65.014 1.00737.35 C ATOM 20100 P A 0 992 187.726 78.882 61.440 1.00737.35 P ATOM 20101 O1P A 0 992 189.115 78.367 61.314 1.00737.35 O ATOM 20102 O2P A 0 992 186.725 78.555 60.392 1.00737.35 O ATOM 20103 O5* A 0 992 187.144 78.412 62.846 1.00737.35 O ATOM 20104 C5* A 0 992 187.899 78.565 64.049 1.00737.35 C ATOM 20105 C4* A 0 992 187.045 78.232 65.250 1.00737.35 C ATOM 20106 O4* A 0 992 185.923 79.152 65.305 1.00737.35 O ATOM 20107 C3* A 0 992 186.401 76.851 65.238 1.00737.35 C ATOM 20108 O3* A 0 992 187.290 75.870 65.759 1.00737.35 O ATOM 20109 C2* A 0 992 185.191 77.051 66.141 1.00737.35 C ATOM 20110 O2* A 0 992 185.505 76.986 67.518 1.00737.35 O ATOM 20111 C1* A 0 992 184.768 78.474 65.773 1.00737.35 C ATOM 20112 N9 A 0 992 183.743 78.529 64.729 1.00737.35 N ATOM 20113 C8 A 0 992 183.921 78.502 63.366 1.00737.35 C ATOM 20114 N7 A 0 992 182.802 78.564 62.687 1.00737.35 N ATOM 20115 C5 A 0 992 181.822 78.636 63.665 1.00737.35 C ATOM 20116 C6 A 0 992 180.420 78.721 63.594 1.00737.35 C ATOM 20117 N6 A 0 992 179.736 78.750 62.446 1.00737.35 N ATOM 20118 N1 A 0 992 179.734 78.777 64.755 1.00737.35 N ATOM 20119 C2 A 0 992 180.418 78.750 65.905 1.00737.35 C ATOM 20120 N3 A 0 992 181.734 78.670 66.101 1.00737.35 N ATOM 20121 C4 A 0 992 182.385 78.615 64.928 1.00737.35 C ATOM 20122 P C 0 993 187.586 74.532 64.917 1.00737.35 P ATOM 20123 O1P C 0 993 188.422 73.650 65.771 1.00737.35 O ATOM 20124 O2P C 0 993 188.076 74.927 63.572 1.00737.35 O ATOM 20125 O5* C 0 993 186.151 73.855 64.743 1.00737.35 O ATOM 20126 C5* C 0 993 185.591 73.034 65.767 1.00737.35 C ATOM 20127 C4* C 0 993 184.402 72.269 65.231 1.00737.35 C ATOM 20128 O4* C 0 993 183.347 73.200 64.882 1.00737.35 O ATOM 20129 C3* C 0 993 184.653 71.481 63.955 1.00737.35 C ATOM 20130 O3* C 0 993 185.201 70.197 64.241 1.00737.35 O ATOM 20131 C2* C 0 993 183.253 71.373 63.360 1.00737.35 C ATOM 20132 O2* C 0 993 182.484 70.334 63.934 1.00737.35 O ATOM 20133 C1* C 0 993 182.654 72.731 63.735 1.00737.35 C ATOM 20134 N1 C 0 993 182.756 73.745 62.667 1.00737.35 N ATOM 20135 C2 C 0 993 181.730 73.827 61.710 1.00737.35 C ATOM 20136 O2 C 0 993 180.766 73.048 61.780 1.00737.35 O ATOM 20137 N3 C 0 993 181.818 74.759 60.731 1.00737.35 N ATOM 20138 C4 C 0 993 182.867 75.582 60.683 1.00737.35 C ATOM 20139 N4 C 0 993 182.909 76.487 59.703 1.00737.35 N ATOM 20140 C5 C 0 993 183.923 75.517 61.639 1.00737.35 C ATOM 20141 C6 C 0 993 183.828 74.594 62.603 1.00737.35 C ATOM 20142 P A 0 994 186.693 69.838 63.760 1.00737.35 P ATOM 20143 O1P A 0 994 187.563 69.893 64.963 1.00737.35 O ATOM 20144 O2P A 0 994 187.033 70.666 62.571 1.00737.35 O ATOM 20145 O5* A 0 994 186.593 68.315 63.298 1.00737.35 O ATOM 20146 C5* A 0 994 186.055 67.973 62.022 1.00737.35 C ATOM 20147 C4* A 0 994 186.045 66.472 61.842 1.00737.35 C ATOM 20148 O4* A 0 994 185.218 65.869 62.874 1.00737.35 O ATOM 20149 C3* A 0 994 185.424 65.995 60.538 1.00737.35 C ATOM 20150 O3* A 0 994 186.376 66.007 59.479 1.00737.35 O ATOM 20151 C2* A 0 994 184.976 64.583 60.891 1.00737.35 C ATOM 20152 O2* A 0 994 186.031 63.639 60.856 1.00737.35 O ATOM 20153 C1* A 0 994 184.493 64.775 62.330 1.00737.35 C ATOM 20154 N9 A 0 994 183.062 65.075 62.422 1.00737.35 N ATOM 20155 C8 A 0 994 182.468 66.271 62.752 1.00737.35 C ATOM 20156 N7 A 0 994 181.159 66.232 62.744 1.00737.35 N ATOM 20157 C5 A 0 994 180.866 64.924 62.387 1.00737.35 C ATOM 20158 C6 A 0 994 179.649 64.244 62.201 1.00737.35 C ATOM 20159 N6 A 0 994 178.451 64.813 62.357 1.00737.35 N ATOM 20160 N1 A 0 994 179.705 62.943 61.846 1.00737.35 N ATOM 20161 C2 A 0 994 180.905 62.373 61.688 1.00737.35 C ATOM 20162 N3 A 0 994 182.118 62.903 61.831 1.00737.35 N ATOM 20163 C4 A 0 994 182.028 64.199 62.187 1.00737.35 C ATOM 20164 P A 0 995 185.973 66.635 58.055 1.00737.35 P ATOM 20165 O1P A 0 995 187.052 66.292 57.094 1.00737.35 O ATOM 20166 O2P A 0 995 185.600 68.059 58.260 1.00737.35 O ATOM 20167 O5* A 0 995 184.666 65.826 57.635 1.00737.35 O ATOM 20168 C5* A 0 995 183.860 66.247 56.538 1.00737.35 C ATOM 20169 C4* A 0 995 182.717 65.280 56.331 1.00737.35 C ATOM 20170 O4* A 0 995 181.969 65.154 57.568 1.00737.35 O ATOM 20171 C3* A 0 995 181.679 65.701 55.303 1.00737.35 C ATOM 20172 O3* A 0 995 182.090 65.329 53.991 1.00737.35 O ATOM 20173 C2* A 0 995 180.449 64.918 55.751 1.00737.35 C ATOM 20174 O2* A 0 995 180.454 63.575 55.310 1.00737.35 O ATOM 20175 C1* A 0 995 180.595 64.961 57.273 1.00737.35 C ATOM 20176 N9 A 0 995 179.830 66.038 57.908 1.00737.35 N ATOM 20177 C8 A 0 995 180.130 67.379 57.964 1.00737.35 C ATOM 20178 N7 A 0 995 179.236 68.093 58.605 1.00737.35 N ATOM 20179 C5 A 0 995 178.285 67.161 58.998 1.00737.35 C ATOM 20180 C6 A 0 995 177.084 67.282 59.719 1.00737.35 C ATOM 20181 N6 A 0 995 176.614 68.441 60.186 1.00737.35 N ATOM 20182 N1 A 0 995 176.370 66.158 59.943 1.00737.35 N ATOM 20183 C2 A 0 995 176.840 64.996 59.472 1.00737.35 C ATOM 20184 N3 A 0 995 177.954 64.754 58.783 1.00737.35 N ATOM 20185 C4 A 0 995 178.639 65.893 58.577 1.00737.35 C ATOM 20186 P C 0 996 181.768 66.292 52.741 1.00737.35 P ATOM 20187 O1P C 0 996 180.768 65.594 51.894 1.00737.35 O ATOM 20188 O2P C 0 996 183.068 66.704 52.152 1.00737.35 O ATOM 20189 O5* C 0 996 181.088 67.585 53.384 1.00737.35 O ATOM 20190 C5* C 0 996 179.943 68.191 52.782 1.00737.35 C ATOM 20191 C4* C 0 996 180.226 69.641 52.456 1.00737.35 C ATOM 20192 O4* C 0 996 180.489 70.371 53.683 1.00737.35 O ATOM 20193 C3* C 0 996 181.451 69.895 51.593 1.00737.35 C ATOM 20194 O3* C 0 996 181.134 69.745 50.212 1.00737.35 O ATOM 20195 C2* C 0 996 181.802 71.337 51.947 1.00737.35 C ATOM 20196 O2* C 0 996 181.016 72.286 51.254 1.00737.35 O ATOM 20197 C1* C 0 996 181.462 71.379 53.439 1.00737.35 C ATOM 20198 N1 C 0 996 182.623 71.142 54.325 1.00737.35 N ATOM 20199 C2 C 0 996 183.459 72.223 54.652 1.00737.35 C ATOM 20200 O2 C 0 996 183.208 73.348 54.188 1.00737.35 O ATOM 20201 N3 C 0 996 184.519 72.014 55.466 1.00737.35 N ATOM 20202 C4 C 0 996 184.761 70.793 55.947 1.00737.35 C ATOM 20203 N4 C 0 996 185.819 70.635 56.749 1.00737.35 N ATOM 20204 C5 C 0 996 183.934 69.678 55.628 1.00737.35 C ATOM 20205 C6 C 0 996 182.887 69.893 54.823 1.00737.35 C ATOM 20206 P C 0 997 182.247 69.185 49.193 1.00737.35 P ATOM 20207 O1P C 0 997 181.567 68.948 47.893 1.00737.35 O ATOM 20208 O2P C 0 997 182.979 68.072 49.849 1.00737.35 O ATOM 20209 O5* C 0 997 183.257 70.406 49.017 1.00737.35 O ATOM 20210 C5* C 0 997 182.936 71.511 48.174 1.00737.35 C ATOM 20211 C4* C 0 997 184.080 72.498 48.140 1.00737.35 C ATOM 20212 O4* C 0 997 184.253 73.079 49.460 1.00737.35 O ATOM 20213 C3* C 0 997 185.446 71.919 47.801 1.00737.35 C ATOM 20214 O3* C 0 997 185.628 71.808 46.394 1.00737.35 O ATOM 20215 C2* C 0 997 186.389 72.945 48.420 1.00737.35 C ATOM 20216 O2* C 0 997 186.571 74.091 47.614 1.00737.35 O ATOM 20217 C1* C 0 997 185.633 73.321 49.697 1.00737.35 C ATOM 20218 N1 C 0 997 186.056 72.543 50.880 1.00737.35 N ATOM 20219 C2 C 0 997 187.149 72.999 51.637 1.00737.35 C ATOM 20220 O2 C 0 997 187.729 74.043 51.295 1.00737.35 O ATOM 20221 N3 C 0 997 187.545 72.287 52.717 1.00737.35 N ATOM 20222 C4 C 0 997 186.898 71.168 53.054 1.00737.35 C ATOM 20223 N4 C 0 997 187.327 70.499 54.127 1.00737.35 N ATOM 20224 C5 C 0 997 185.784 70.684 52.309 1.00737.35 C ATOM 20225 C6 C 0 997 185.401 71.396 51.241 1.00737.35 C ATOM 20226 P C 0 998 186.611 70.680 45.805 1.00737.35 P ATOM 20227 O1P C 0 998 186.537 70.765 44.322 1.00737.35 O ATOM 20228 O2P C 0 998 186.314 69.391 46.480 1.00737.35 O ATOM 20229 O5* C 0 998 188.063 71.158 46.260 1.00737.35 O ATOM 20230 C5* C 0 998 188.667 72.318 45.687 1.00737.35 C ATOM 20231 C4* C 0 998 190.007 72.587 46.331 1.00737.35 C ATOM 20232 O4* C 0 998 189.816 72.883 47.741 1.00737.35 O ATOM 20233 C3* C 0 998 191.000 71.434 46.326 1.00737.35 C ATOM 20234 O3* C 0 998 191.716 71.371 45.095 1.00737.35 O ATOM 20235 C2* C 0 998 191.919 71.797 47.484 1.00737.35 C ATOM 20236 O2* C 0 998 192.899 72.755 47.137 1.00737.35 O ATOM 20237 C1* C 0 998 190.931 72.408 48.482 1.00737.35 C ATOM 20238 N1 C 0 998 190.456 71.454 49.509 1.00737.35 N ATOM 20239 C2 C 0 998 191.295 71.157 50.600 1.00737.35 C ATOM 20240 O2 C 0 998 192.414 71.695 50.671 1.00737.35 O ATOM 20241 N3 C 0 998 190.866 70.291 51.544 1.00737.35 N ATOM 20242 C4 C 0 998 189.661 69.726 51.437 1.00737.35 C ATOM 20243 N4 C 0 998 189.282 68.877 52.394 1.00737.35 N ATOM 20244 C5 C 0 998 188.791 70.006 50.342 1.00737.35 C ATOM 20245 C6 C 0 998 189.224 70.868 49.410 1.00737.35 C ATOM 20246 P A 0 999 192.176 69.944 44.509 1.00737.35 P ATOM 20247 O1P A 0 999 193.011 70.209 43.308 1.00737.35 O ATOM 20248 O2P A 0 999 190.975 69.078 44.390 1.00737.35 O ATOM 20249 O5* A 0 999 193.116 69.334 45.643 1.00737.35 O ATOM 20250 C5* A 0 999 194.334 69.981 46.015 1.00737.35 C ATOM 20251 C4* A 0 999 194.800 69.483 47.365 1.00737.35 C ATOM 20252 O4* A 0 999 193.765 69.747 48.349 1.00737.35 O ATOM 20253 C3* A 0 999 195.061 67.988 47.471 1.00737.35 C ATOM 20254 O3* A 0 999 196.386 67.673 47.044 1.00737.35 O ATOM 20255 C2* A 0 999 194.857 67.727 48.959 1.00737.35 C ATOM 20256 O2* A 0 999 195.981 68.072 49.745 1.00737.35 O ATOM 20257 C1* A 0 999 193.697 68.673 49.276 1.00737.35 C ATOM 20258 N9 A 0 999 192.380 68.043 49.154 1.00737.35 N ATOM 20259 C8 A 0 999 191.532 68.056 48.073 1.00737.35 C ATOM 20260 N7 A 0 999 190.417 67.396 48.266 1.00737.35 N ATOM 20261 C5 A 0 999 190.534 66.916 49.563 1.00737.35 C ATOM 20262 C6 A 0 999 189.680 66.138 50.364 1.00737.35 C ATOM 20263 N6 A 0 999 188.489 65.691 49.960 1.00737.35 N ATOM 20264 N1 A 0 999 190.095 65.832 51.610 1.00737.35 N ATOM 20265 C2 A 0 999 191.291 66.280 52.017 1.00737.35 C ATOM 20266 N3 A 0 999 192.181 67.018 51.359 1.00737.35 N ATOM 20267 C4 A 0 999 191.738 67.307 50.122 1.00737.35 C ATOM 20268 P G 01000 196.872 66.139 46.991 1.00737.35 P ATOM 20269 O1P G 01000 198.251 66.132 46.439 1.00737.35 O ATOM 20270 O2P G 01000 195.816 65.327 46.336 1.00737.35 O ATOM 20271 O5* G 01000 196.951 65.720 48.526 1.00737.35 O ATOM 20272 C5* G 01000 197.397 64.424 48.917 1.00737.35 C ATOM 20273 C4* G 01000 196.853 64.083 50.285 1.00737.35 C ATOM 20274 O4* G 01000 195.402 64.116 50.238 1.00737.35 O ATOM 20275 C3* G 01000 197.181 62.689 50.798 1.00737.35 C ATOM 20276 O3* G 01000 198.448 62.676 51.445 1.00737.35 O ATOM 20277 C2* G 01000 196.050 62.434 51.787 1.00737.35 C ATOM 20278 O2* G 01000 196.264 63.042 53.046 1.00737.35 O ATOM 20279 C1* G 01000 194.871 63.107 51.081 1.00737.35 C ATOM 20280 N9 G 01000 194.088 62.183 50.263 1.00737.35 N ATOM 20281 C8 G 01000 194.404 61.710 49.011 1.00737.35 C ATOM 20282 N7 G 01000 193.511 60.887 48.535 1.00737.35 N ATOM 20283 C5 G 01000 192.546 60.812 49.530 1.00737.35 C ATOM 20284 C6 G 01000 191.337 60.073 49.586 1.00737.35 C ATOM 20285 O6 G 01000 190.864 59.307 48.738 1.00737.35 O ATOM 20286 N1 G 01000 190.656 60.294 50.780 1.00737.35 N ATOM 20287 C2 G 01000 191.084 61.116 51.790 1.00737.35 C ATOM 20288 N2 G 01000 190.282 61.201 52.863 1.00737.35 N ATOM 20289 N3 G 01000 192.211 61.808 51.755 1.00737.35 N ATOM 20290 C4 G 01000 192.886 61.609 50.603 1.00737.35 C ATOM 20291 P A 01001 199.380 61.368 51.350 1.00737.35 P ATOM 20292 O1P A 01001 199.934 61.284 49.974 1.00737.35 O ATOM 20293 O2P A 01001 198.605 60.227 51.901 1.00737.35 O ATOM 20294 O5* A 01001 200.577 61.682 52.355 1.00737.35 O ATOM 20295 C5* A 01001 201.326 62.888 52.244 1.00737.35 C ATOM 20296 C4* A 01001 201.899 63.275 53.587 1.00737.35 C ATOM 20297 O4* A 01001 200.815 63.501 54.524 1.00737.35 O ATOM 20298 C3* A 01001 202.775 62.228 54.257 1.00737.35 C ATOM 20299 O3* A 01001 204.115 62.353 53.786 1.00737.35 O ATOM 20300 C2* A 01001 202.661 62.598 55.732 1.00737.35 C ATOM 20301 O2* A 01001 203.532 63.642 56.111 1.00737.35 O ATOM 20302 C1* A 01001 201.211 63.085 55.820 1.00737.35 C ATOM 20303 N9 A 01001 200.257 62.082 56.295 1.00737.35 N ATOM 20304 C8 A 01001 199.577 61.142 55.559 1.00737.35 C ATOM 20305 N7 A 01001 198.779 60.388 56.272 1.00737.35 N ATOM 20306 C5 A 01001 198.945 60.856 57.568 1.00737.35 C ATOM 20307 C6 A 01001 198.374 60.471 58.793 1.00737.35 C ATOM 20308 N6 A 01001 197.482 59.486 58.917 1.00737.35 N ATOM 20309 N1 A 01001 198.754 61.144 59.902 1.00737.35 N ATOM 20310 C2 A 01001 199.647 62.133 59.775 1.00737.35 C ATOM 20311 N3 A 01001 200.253 62.588 58.681 1.00737.35 N ATOM 20312 C4 A 01001 199.854 61.899 57.598 1.00737.35 C ATOM 20313 P C 01002 204.741 61.223 52.830 1.00737.35 P ATOM 20314 O1P C 01002 205.657 61.900 51.875 1.00737.35 O ATOM 20315 O2P C 01002 203.632 60.382 52.304 1.00737.35 O ATOM 20316 O5* C 01002 205.628 60.332 53.805 1.00737.35 O ATOM 20317 C5* C 01002 205.036 59.583 54.864 1.00737.35 C ATOM 20318 C4* C 01002 206.099 59.103 55.822 1.00737.35 C ATOM 20319 O4* C 01002 207.052 58.274 55.105 1.00737.35 O ATOM 20320 C3* C 01002 206.944 60.203 56.444 1.00737.35 C ATOM 20321 O3* C 01002 206.297 60.735 57.597 1.00737.35 O ATOM 20322 C2* C 01002 208.235 59.468 56.784 1.00737.35 C ATOM 20323 O2* C 01002 208.155 58.723 57.982 1.00737.35 O ATOM 20324 C1* C 01002 208.364 58.516 55.589 1.00737.35 C ATOM 20325 N1 C 01002 209.184 59.053 54.483 1.00737.35 N ATOM 20326 C2 C 01002 210.577 58.866 54.516 1.00737.35 C ATOM 20327 O2 C 01002 211.088 58.259 55.472 1.00737.35 O ATOM 20328 N3 C 01002 211.330 59.353 53.502 1.00737.35 N ATOM 20329 C4 C 01002 210.752 60.000 52.490 1.00737.35 C ATOM 20330 N4 C 01002 211.536 60.461 51.512 1.00737.35 N ATOM 20331 C5 C 01002 209.343 60.205 52.432 1.00737.35 C ATOM 20332 C6 C 01002 208.606 59.722 53.439 1.00737.35 C ATOM 20333 P C 01003 206.589 62.250 58.048 1.00737.35 P ATOM 20334 O1P C 01003 205.632 62.602 59.127 1.00737.35 O ATOM 20335 O2P C 01003 206.652 63.088 56.822 1.00737.35 O ATOM 20336 O5* C 01003 208.051 62.182 58.674 1.00737.35 O ATOM 20337 C5* C 01003 208.318 61.375 59.820 1.00737.35 C ATOM 20338 C4* C 01003 209.807 61.232 60.026 1.00737.35 C ATOM 20339 O4* C 01003 210.384 60.514 58.903 1.00737.35 O ATOM 20340 C3* C 01003 210.588 62.534 60.079 1.00737.35 C ATOM 20341 O3* C 01003 210.548 63.102 61.386 1.00737.35 O ATOM 20342 C2* C 01003 211.989 62.087 59.684 1.00737.35 C ATOM 20343 O2* C 01003 212.707 61.499 60.750 1.00737.35 O ATOM 20344 C1* C 01003 211.677 61.027 58.623 1.00737.35 C ATOM 20345 N1 C 01003 211.692 61.553 57.241 1.00737.35 N ATOM 20346 C2 C 01003 212.910 61.592 56.541 1.00737.35 C ATOM 20347 O2 C 01003 213.944 61.187 57.099 1.00737.35 O ATOM 20348 N3 C 01003 212.929 62.073 55.276 1.00737.35 N ATOM 20349 C4 C 01003 211.800 62.502 54.708 1.00737.35 C ATOM 20350 N4 C 01003 211.869 62.968 53.457 1.00737.35 N ATOM 20351 C5 C 01003 210.552 62.476 55.393 1.00737.35 C ATOM 20352 C6 C 01003 210.542 61.997 56.645 1.00737.35 C ATOM 20353 P A 01004 210.661 64.694 61.565 1.00737.35 P ATOM 20354 O1P A 01004 210.496 65.013 63.007 1.00737.35 O ATOM 20355 O2P A 01004 209.759 65.328 60.569 1.00737.35 O ATOM 20356 O5* A 01004 212.164 65.018 61.143 1.00737.35 O ATOM 20357 C5* A 01004 213.258 64.567 61.939 1.00737.35 C ATOM 20358 C4* A 01004 214.569 64.884 61.259 1.00737.35 C ATOM 20359 O4* A 01004 214.686 64.111 60.036 1.00737.35 O ATOM 20360 C3* A 01004 214.746 66.322 60.801 1.00737.35 C ATOM 20361 O3* A 01004 215.173 67.165 61.868 1.00737.35 O ATOM 20362 C2* A 01004 215.810 66.183 59.719 1.00737.35 C ATOM 20363 O2* A 01004 217.123 66.085 60.238 1.00737.35 O ATOM 20364 C1* A 01004 215.407 64.856 59.068 1.00737.35 C ATOM 20365 N9 A 01004 214.565 65.027 57.881 1.00737.35 N ATOM 20366 C8 A 01004 213.208 64.830 57.760 1.00737.35 C ATOM 20367 N7 A 01004 212.745 65.070 56.556 1.00737.35 N ATOM 20368 C5 A 01004 213.868 65.451 55.835 1.00737.35 C ATOM 20369 C6 A 01004 214.047 65.839 54.494 1.00737.35 C ATOM 20370 N6 A 01004 213.055 65.905 53.602 1.00737.35 N ATOM 20371 N1 A 01004 215.297 66.157 54.095 1.00737.35 N ATOM 20372 C2 A 01004 216.292 66.088 54.987 1.00737.35 C ATOM 20373 N3 A 01004 216.250 65.741 56.271 1.00737.35 N ATOM 20374 C4 A 01004 214.996 65.429 56.639 1.00737.35 C ATOM 20375 P U 01005 214.357 68.514 62.198 1.00737.35 P ATOM 20376 O1P U 01005 214.800 69.000 63.531 1.00737.35 O ATOM 20377 O2P U 01005 212.915 68.249 61.961 1.00737.35 O ATOM 20378 O5* U 01005 214.853 69.564 61.103 1.00737.35 O ATOM 20379 C5* U 01005 214.837 69.248 59.712 1.00737.35 C ATOM 20380 C4* U 01005 215.003 70.502 58.887 1.00737.35 C ATOM 20381 O4* U 01005 215.187 70.135 57.496 1.00737.35 O ATOM 20382 C3* U 01005 213.804 71.439 58.875 1.00737.35 C ATOM 20383 O3* U 01005 213.826 72.313 60.000 1.00737.35 O ATOM 20384 C2* U 01005 214.004 72.198 57.566 1.00737.35 C ATOM 20385 O2* U 01005 214.934 73.259 57.673 1.00737.35 O ATOM 20386 C1* U 01005 214.570 71.102 56.658 1.00737.35 C ATOM 20387 N1 U 01005 213.552 70.433 55.830 1.00737.35 N ATOM 20388 C2 U 01005 213.343 70.913 54.546 1.00737.35 C ATOM 20389 O2 U 01005 213.963 71.857 54.076 1.00737.35 O ATOM 20390 N3 U 01005 212.379 70.248 53.828 1.00737.35 N ATOM 20391 C4 U 01005 211.619 69.177 54.251 1.00737.35 C ATOM 20392 O4 U 01005 210.778 68.695 53.491 1.00737.35 O ATOM 20393 C5 U 01005 211.893 68.738 55.585 1.00737.35 C ATOM 20394 C6 U 01005 212.826 69.364 56.310 1.00737.35 C ATOM 20395 P C 01006 212.441 72.840 60.632 1.00737.35 P ATOM 20396 O1P C 01006 212.248 72.168 61.941 1.00737.35 O ATOM 20397 O2P C 01006 211.382 72.739 59.594 1.00737.35 O ATOM 20398 O5* C 01006 212.710 74.387 60.902 1.00737.35 O ATOM 20399 C5* C 01006 213.417 75.179 59.955 1.00737.35 C ATOM 20400 C4* C 01006 213.046 76.636 60.100 1.00737.35 C ATOM 20401 O4* C 01006 213.335 77.079 61.451 1.00737.35 O ATOM 20402 C3* C 01006 213.847 77.579 59.216 1.00737.35 C ATOM 20403 O3* C 01006 213.282 77.656 57.911 1.00737.35 O ATOM 20404 C2* C 01006 213.734 78.898 59.968 1.00737.35 C ATOM 20405 O2* C 01006 212.514 79.573 59.731 1.00737.35 O ATOM 20406 C1* C 01006 213.791 78.423 61.425 1.00737.35 C ATOM 20407 N1 C 01006 215.143 78.481 62.016 1.00737.35 N ATOM 20408 C2 C 01006 215.561 79.669 62.638 1.00737.35 C ATOM 20409 O2 C 01006 214.787 80.640 62.678 1.00737.35 O ATOM 20410 N3 C 01006 216.800 79.727 63.177 1.00737.35 N ATOM 20411 C4 C 01006 217.609 78.667 63.116 1.00737.35 C ATOM 20412 N4 C 01006 218.823 78.772 63.664 1.00737.35 N ATOM 20413 C5 C 01006 217.209 77.449 62.492 1.00737.35 C ATOM 20414 C6 C 01006 215.981 77.401 61.961 1.00737.35 C ATOM 20415 P A 01007 213.838 76.706 56.742 1.00737.35 P ATOM 20416 O1P A 01007 213.005 75.476 56.748 1.00737.35 O ATOM 20417 O2P A 01007 215.314 76.590 56.882 1.00737.35 O ATOM 20418 O5* A 01007 213.516 77.504 55.401 1.00737.35 O ATOM 20419 C5* A 01007 214.416 78.491 54.904 1.00737.35 C ATOM 20420 C4* A 01007 214.446 78.462 53.393 1.00737.35 C ATOM 20421 O4* A 01007 214.812 77.126 52.952 1.00737.35 O ATOM 20422 C3* A 01007 213.122 78.733 52.695 1.00737.35 C ATOM 20423 O3* A 01007 212.898 80.134 52.556 1.00737.35 O ATOM 20424 C2* A 01007 213.327 78.051 51.348 1.00737.35 C ATOM 20425 O2* A 01007 214.095 78.822 50.444 1.00737.35 O ATOM 20426 C1* A 01007 214.113 76.805 51.757 1.00737.35 C ATOM 20427 N9 A 01007 213.261 75.643 52.013 1.00737.35 N ATOM 20428 C8 A 01007 212.761 75.201 53.215 1.00737.35 C ATOM 20429 N7 A 01007 212.018 74.126 53.119 1.00737.35 N ATOM 20430 C5 A 01007 212.025 73.838 51.761 1.00737.35 C ATOM 20431 C6 A 01007 211.420 72.816 51.007 1.00737.35 C ATOM 20432 N6 A 01007 210.656 71.856 51.536 1.00737.35 N ATOM 20433 N1 A 01007 211.624 72.814 49.672 1.00737.35 N ATOM 20434 C2 A 01007 212.390 73.778 49.140 1.00737.35 C ATOM 20435 N3 A 01007 213.012 74.789 49.743 1.00737.35 N ATOM 20436 C4 A 01007 212.787 74.763 51.067 1.00737.35 C ATOM 20437 P G 01008 211.405 80.685 52.307 1.00737.35 P ATOM 20438 O1P G 01008 211.453 82.162 52.460 1.00737.35 O ATOM 20439 O2P G 01008 210.460 79.892 53.135 1.00737.35 O ATOM 20440 O5* G 01008 211.123 80.355 50.773 1.00737.35 O ATOM 20441 C5* G 01008 211.942 80.906 49.741 1.00737.35 C ATOM 20442 C4* G 01008 211.682 80.201 48.431 1.00737.35 C ATOM 20443 O4* G 01008 211.974 78.787 48.587 1.00737.35 O ATOM 20444 C3* G 01008 210.247 80.238 47.927 1.00737.35 C ATOM 20445 O3* G 01008 209.999 81.434 47.194 1.00737.35 O ATOM 20446 C2* G 01008 210.186 79.002 47.038 1.00737.35 C ATOM 20447 O2* G 01008 210.741 79.211 45.756 1.00737.35 O ATOM 20448 C1* G 01008 211.058 78.019 47.825 1.00737.35 C ATOM 20449 N9 G 01008 210.301 77.159 48.733 1.00737.35 N ATOM 20450 C8 G 01008 210.231 77.251 50.104 1.00737.35 C ATOM 20451 N7 G 01008 209.476 76.335 50.642 1.00737.35 N ATOM 20452 C5 G 01008 209.012 75.593 49.563 1.00737.35 C ATOM 20453 C6 G 01008 208.151 74.465 49.526 1.00737.35 C ATOM 20454 O6 G 01008 207.608 73.876 50.469 1.00737.35 O ATOM 20455 N1 G 01008 207.943 74.027 48.222 1.00737.35 N ATOM 20456 C2 G 01008 208.490 74.597 47.099 1.00737.35 C ATOM 20457 N2 G 01008 208.164 74.031 45.928 1.00737.35 N ATOM 20458 N3 G 01008 209.295 75.646 47.120 1.00737.35 N ATOM 20459 C4 G 01008 209.512 76.088 48.378 1.00737.35 C ATOM 20460 P C 01009 208.489 81.959 47.007 1.00737.35 P ATOM 20461 O1P C 01009 208.565 83.290 46.351 1.00737.35 O ATOM 20462 O2P C 01009 207.774 81.821 48.301 1.00737.35 O ATOM 20463 O5* C 01009 207.848 80.932 45.969 1.00737.35 O ATOM 20464 C5* C 01009 208.354 80.815 44.642 1.00737.35 C ATOM 20465 C4* C 01009 207.689 79.663 43.926 1.00737.35 C ATOM 20466 O4* C 01009 207.990 78.426 44.627 1.00737.35 O ATOM 20467 C3* C 01009 206.170 79.709 43.871 1.00737.35 C ATOM 20468 O3* C 01009 205.720 80.495 42.769 1.00737.35 O ATOM 20469 C2* C 01009 205.806 78.238 43.708 1.00737.35 C ATOM 20470 O2* C 01009 205.936 77.775 42.378 1.00737.35 O ATOM 20471 C1* C 01009 206.860 77.569 44.595 1.00737.35 C ATOM 20472 N1 C 01009 206.403 77.332 45.981 1.00737.35 N ATOM 20473 C2 C 01009 205.589 76.219 46.251 1.00737.35 C ATOM 20474 O2 C 01009 205.268 75.459 45.320 1.00737.35 O ATOM 20475 N3 C 01009 205.175 75.999 47.521 1.00737.35 N ATOM 20476 C4 C 01009 205.535 76.833 48.497 1.00737.35 C ATOM 20477 N4 C 01009 205.102 76.573 49.733 1.00737.35 N ATOM 20478 C5 C 01009 206.355 77.972 48.251 1.00737.35 C ATOM 20479 C6 C 01009 206.764 78.182 46.993 1.00737.35 C ATOM 20480 P U 01010 204.231 81.099 42.779 1.00737.35 P ATOM 20481 O1P U 01010 204.062 81.873 41.521 1.00737.35 O ATOM 20482 O2P U 01010 203.998 81.764 44.087 1.00737.35 O ATOM 20483 O5* U 01010 203.296 79.812 42.690 1.00737.35 O ATOM 20484 C5* U 01010 201.910 79.883 43.014 1.00737.35 C ATOM 20485 C4* U 01010 201.240 78.557 42.742 1.00737.35 C ATOM 20486 O4* U 01010 201.952 77.504 43.444 1.00737.35 O ATOM 20487 C3* U 01010 199.806 78.440 43.232 1.00737.35 C ATOM 20488 O3* U 01010 198.894 78.969 42.273 1.00737.35 O ATOM 20489 C2* U 01010 199.642 76.936 43.409 1.00737.35 C ATOM 20490 O2* U 01010 199.376 76.259 42.197 1.00737.35 O ATOM 20491 C1* U 01010 201.027 76.541 43.930 1.00737.35 C ATOM 20492 N1 U 01010 201.119 76.498 45.401 1.00737.35 N ATOM 20493 C2 U 01010 200.603 75.385 46.051 1.00737.35 C ATOM 20494 O2 U 01010 200.079 74.450 45.464 1.00737.35 O ATOM 20495 N3 U 01010 200.723 75.409 47.419 1.00737.35 N ATOM 20496 C4 U 01010 201.292 76.404 48.189 1.00737.35 C ATOM 20497 O4 U 01010 201.328 76.276 49.414 1.00737.35 O ATOM 20498 C5 U 01010 201.800 77.515 47.446 1.00737.35 C ATOM 20499 C6 U 01010 201.699 77.526 46.114 1.00737.35 C ATOM 20500 P A 01011 197.461 79.520 42.752 1.00737.35 P ATOM 20501 O1P A 01011 196.781 80.076 41.556 1.00737.35 O ATOM 20502 O2P A 01011 197.663 80.383 43.946 1.00737.35 O ATOM 20503 O5* A 01011 196.679 78.211 43.212 1.00737.35 O ATOM 20504 C5* A 01011 196.271 77.228 42.261 1.00737.35 C ATOM 20505 C4* A 01011 195.438 76.160 42.932 1.00737.35 C ATOM 20506 O4* A 01011 196.257 75.440 43.890 1.00737.35 O ATOM 20507 C3* A 01011 194.254 76.659 43.746 1.00737.35 C ATOM 20508 O3* A 01011 193.119 76.880 42.916 1.00737.35 O ATOM 20509 C2* A 01011 194.030 75.515 44.727 1.00737.35 C ATOM 20510 O2* A 01011 193.299 74.441 44.172 1.00737.35 O ATOM 20511 C1* A 01011 195.469 75.073 45.012 1.00737.35 C ATOM 20512 N9 A 01011 196.048 75.686 46.208 1.00737.35 N ATOM 20513 C8 A 01011 196.821 76.819 46.290 1.00737.35 C ATOM 20514 N7 A 01011 197.193 77.120 47.510 1.00737.35 N ATOM 20515 C5 A 01011 196.627 76.121 48.287 1.00737.35 C ATOM 20516 C6 A 01011 196.651 75.871 49.670 1.00737.35 C ATOM 20517 N6 A 01011 197.293 76.640 50.551 1.00737.35 N ATOM 20518 N1 A 01011 195.984 74.788 50.124 1.00737.35 N ATOM 20519 C2 A 01011 195.340 74.016 49.241 1.00737.35 C ATOM 20520 N3 A 01011 195.244 74.145 47.919 1.00737.35 N ATOM 20521 C4 A 01011 195.919 75.230 47.499 1.00737.35 C ATOM 20522 P A 01012 192.090 78.065 43.268 1.00737.35 P ATOM 20523 O1P A 01012 191.071 78.098 42.189 1.00737.35 O ATOM 20524 O2P A 01012 192.870 79.292 43.573 1.00737.35 O ATOM 20525 O5* A 01012 191.386 77.576 44.611 1.00737.35 O ATOM 20526 C5* A 01012 190.426 76.520 44.595 1.00737.35 C ATOM 20527 C4* A 01012 189.925 76.244 45.994 1.00737.35 C ATOM 20528 O4* A 01012 191.021 75.748 46.809 1.00737.35 O ATOM 20529 C3* A 01012 189.407 77.451 46.760 1.00737.35 C ATOM 20530 O3* A 01012 188.046 77.723 46.438 1.00737.35 O ATOM 20531 C2* A 01012 189.566 77.006 48.209 1.00737.35 C ATOM 20532 O2* A 01012 188.523 76.159 48.649 1.00737.35 O ATOM 20533 C1* A 01012 190.877 76.217 48.140 1.00737.35 C ATOM 20534 N9 A 01012 192.052 77.024 48.479 1.00737.35 N ATOM 20535 C8 A 01012 192.885 77.710 47.626 1.00737.35 C ATOM 20536 N7 A 01012 193.854 78.348 48.235 1.00737.35 N ATOM 20537 C5 A 01012 193.650 78.065 49.577 1.00737.35 C ATOM 20538 C6 A 01012 194.340 78.446 50.742 1.00737.35 C ATOM 20539 N6 A 01012 195.421 79.229 50.737 1.00737.35 N ATOM 20540 N1 A 01012 193.875 77.991 51.925 1.00737.35 N ATOM 20541 C2 A 01012 192.791 77.206 51.928 1.00737.35 C ATOM 20542 N3 A 01012 192.056 76.779 50.904 1.00737.35 N ATOM 20543 C4 A 01012 192.543 77.248 49.742 1.00737.35 C ATOM 20544 P G 01013 187.568 79.244 46.221 1.00737.35 P ATOM 20545 O1P G 01013 186.083 79.235 46.171 1.00737.35 O ATOM 20546 O2P G 01013 188.335 79.819 45.088 1.00737.35 O ATOM 20547 O5* G 01013 188.016 79.988 47.558 1.00737.35 O ATOM 20548 C5* G 01013 187.493 79.600 48.824 1.00737.35 C ATOM 20549 C4* G 01013 188.279 80.251 49.940 1.00737.35 C ATOM 20550 O4* G 01013 189.660 79.802 49.882 1.00737.35 O ATOM 20551 C3* G 01013 188.376 81.767 49.891 1.00737.35 C ATOM 20552 O3* G 01013 187.225 82.378 50.466 1.00737.35 O ATOM 20553 C2* G 01013 189.636 82.035 50.705 1.00737.35 C ATOM 20554 O2* G 01013 189.414 82.003 52.101 1.00737.35 O ATOM 20555 C1* G 01013 190.520 80.855 50.295 1.00737.35 C ATOM 20556 N9 G 01013 191.437 81.168 49.200 1.00737.35 N ATOM 20557 C8 G 01013 191.266 80.883 47.863 1.00737.35 C ATOM 20558 N7 G 01013 192.261 81.291 47.123 1.00737.35 N ATOM 20559 C5 G 01013 193.140 81.883 48.019 1.00737.35 C ATOM 20560 C6 G 01013 194.397 82.507 47.798 1.00737.35 C ATOM 20561 O6 G 01013 195.005 82.663 46.731 1.00737.35 O ATOM 20562 N1 G 01013 194.952 82.972 48.986 1.00737.35 N ATOM 20563 C2 G 01013 194.376 82.856 50.226 1.00737.35 C ATOM 20564 N2 G 01013 195.071 83.373 51.249 1.00737.35 N ATOM 20565 N3 G 01013 193.205 82.276 50.446 1.00737.35 N ATOM 20566 C4 G 01013 192.648 81.817 49.307 1.00737.35 C ATOM 20567 P G 01014 186.954 83.947 50.233 1.00737.35 P ATOM 20568 O1P G 01014 185.686 84.305 50.922 1.00737.35 O ATOM 20569 O2P G 01014 187.101 84.220 48.781 1.00737.35 O ATOM 20570 O5* G 01014 188.156 84.653 51.005 1.00737.35 O ATOM 20571 C5* G 01014 188.516 86.004 50.736 1.00737.35 C ATOM 20572 C4* G 01014 189.868 86.306 51.339 1.00737.35 C ATOM 20573 O4* G 01014 190.844 85.368 50.814 1.00737.35 O ATOM 20574 C3* G 01014 190.448 87.674 51.014 1.00737.35 C ATOM 20575 O3* G 01014 189.949 88.661 51.916 1.00737.35 O ATOM 20576 C2* G 01014 191.943 87.441 51.198 1.00737.35 C ATOM 20577 O2* G 01014 192.349 87.482 52.551 1.00737.35 O ATOM 20578 C1* G 01014 192.098 86.014 50.663 1.00737.35 C ATOM 20579 N9 G 01014 192.493 85.946 49.256 1.00737.35 N ATOM 20580 C8 G 01014 191.718 85.544 48.191 1.00737.35 C ATOM 20581 N7 G 01014 192.354 85.583 47.054 1.00737.35 N ATOM 20582 C5 G 01014 193.622 86.039 47.381 1.00737.35 C ATOM 20583 C6 G 01014 194.753 86.281 46.558 1.00737.35 C ATOM 20584 O6 G 01014 194.863 86.133 45.333 1.00737.35 O ATOM 20585 N1 G 01014 195.836 86.740 47.299 1.00737.35 N ATOM 20586 C2 G 01014 195.836 86.940 48.658 1.00737.35 C ATOM 20587 N2 G 01014 196.981 87.392 49.190 1.00737.35 N ATOM 20588 N3 G 01014 194.792 86.714 49.437 1.00737.35 N ATOM 20589 C4 G 01014 193.726 86.269 48.737 1.00737.35 C ATOM 20590 P U 01015 189.980 90.213 51.499 1.00737.35 P ATOM 20591 O1P U 01015 189.284 90.988 52.559 1.00737.35 O ATOM 20592 O2P U 01015 189.518 90.317 50.094 1.00737.35 O ATOM 20593 O5* U 01015 191.528 90.594 51.538 1.00737.35 O ATOM 20594 C5* U 01015 192.281 90.488 52.747 1.00737.35 C ATOM 20595 C4* U 01015 193.724 90.860 52.499 1.00737.35 C ATOM 20596 O4* U 01015 194.297 89.940 51.533 1.00737.35 O ATOM 20597 C3* U 01015 193.951 92.237 51.894 1.00737.35 C ATOM 20598 O3* U 01015 193.993 93.228 52.914 1.00737.35 O ATOM 20599 C2* U 01015 195.304 92.072 51.210 1.00737.35 C ATOM 20600 O2* U 01015 196.395 92.208 52.098 1.00737.35 O ATOM 20601 C1* U 01015 195.226 90.628 50.710 1.00737.35 C ATOM 20602 N1 U 01015 194.801 90.496 49.306 1.00737.35 N ATOM 20603 C2 U 01015 195.789 90.447 48.330 1.00737.35 C ATOM 20604 O2 U 01015 196.983 90.514 48.584 1.00737.35 O ATOM 20605 N3 U 01015 195.327 90.319 47.042 1.00737.35 N ATOM 20606 C4 U 01015 194.009 90.236 46.637 1.00737.35 C ATOM 20607 O4 U 01015 193.751 90.114 45.437 1.00737.35 O ATOM 20608 C5 U 01015 193.051 90.296 47.697 1.00737.35 C ATOM 20609 C6 U 01015 193.468 90.421 48.961 1.00737.35 C ATOM 20610 P C 01016 192.836 94.344 52.990 1.00737.35 P ATOM 20611 O1P C 01016 191.543 93.652 53.228 1.00737.35 O ATOM 20612 O2P C 01016 192.988 95.223 51.803 1.00737.35 O ATOM 20613 O5* C 01016 193.194 95.186 54.296 1.00737.35 O ATOM 20614 C5* C 01016 194.150 96.244 54.253 1.00737.35 C ATOM 20615 C4* C 01016 194.324 96.857 55.624 1.00737.35 C ATOM 20616 O4* C 01016 193.045 97.364 56.089 1.00737.35 O ATOM 20617 C3* C 01016 194.773 95.909 56.728 1.00737.35 C ATOM 20618 O3* C 01016 196.191 95.763 56.727 1.00737.35 O ATOM 20619 C2* C 01016 194.275 96.615 57.982 1.00737.35 C ATOM 20620 O2* C 01016 195.124 97.662 58.404 1.00737.35 O ATOM 20621 C1* C 01016 192.944 97.194 57.497 1.00737.35 C ATOM 20622 N1 C 01016 191.780 96.332 57.790 1.00737.35 N ATOM 20623 C2 C 01016 191.141 96.452 59.039 1.00737.35 C ATOM 20624 O2 C 01016 191.572 97.277 59.865 1.00737.35 O ATOM 20625 N3 C 01016 190.074 95.668 59.312 1.00737.35 N ATOM 20626 C4 C 01016 189.637 94.794 58.401 1.00737.35 C ATOM 20627 N4 C 01016 188.580 94.042 58.714 1.00737.35 N ATOM 20628 C5 C 01016 190.267 94.650 57.130 1.00737.35 C ATOM 20629 C6 C 01016 191.323 95.430 56.869 1.00737.35 C ATOM 20630 P C 01017 196.862 94.465 57.400 1.00737.35 P ATOM 20631 O1P C 01017 198.323 94.515 57.140 1.00737.35 O ATOM 20632 O2P C 01017 196.082 93.276 56.967 1.00737.35 O ATOM 20633 O5* C 01017 196.622 94.670 58.962 1.00737.35 O ATOM 20634 C5* C 01017 197.232 95.754 59.661 1.00737.35 C ATOM 20635 C4* C 01017 196.663 95.867 61.058 1.00737.35 C ATOM 20636 O4* C 01017 195.239 96.142 60.972 1.00737.35 O ATOM 20637 C3* C 01017 196.756 94.615 61.916 1.00737.35 C ATOM 20638 O3* C 01017 198.022 94.542 62.565 1.00737.35 O ATOM 20639 C2* C 01017 195.624 94.822 62.916 1.00737.35 C ATOM 20640 O2* C 01017 195.978 95.675 63.988 1.00737.35 O ATOM 20641 C1* C 01017 194.565 95.503 62.046 1.00737.35 C ATOM 20642 N1 C 01017 193.559 94.572 61.491 1.00737.35 N ATOM 20643 C2 C 01017 192.449 94.221 62.280 1.00737.35 C ATOM 20644 O2 C 01017 192.345 94.695 63.425 1.00737.35 O ATOM 20645 N3 C 01017 191.519 93.378 61.777 1.00737.35 N ATOM 20646 C4 C 01017 191.665 92.884 60.545 1.00737.35 C ATOM 20647 N4 C 01017 190.721 92.055 60.091 1.00737.35 N ATOM 20648 C5 C 01017 192.781 93.216 59.724 1.00737.35 C ATOM 20649 C6 C 01017 193.695 94.054 60.231 1.00737.35 C ATOM 20650 P C 01018 198.733 93.113 62.776 1.00737.35 P ATOM 20651 O1P C 01018 199.940 93.316 63.617 1.00737.35 O ATOM 20652 O2P C 01018 198.865 92.478 61.440 1.00737.35 O ATOM 20653 O5* C 01018 197.671 92.271 63.616 1.00737.35 O ATOM 20654 C5* C 01018 197.293 92.669 64.934 1.00737.35 C ATOM 20655 C4* C 01018 196.082 91.887 65.390 1.00737.35 C ATOM 20656 O4* C 01018 194.971 92.173 64.499 1.00737.35 O ATOM 20657 C3* C 01018 196.224 90.373 65.343 1.00737.35 C ATOM 20658 O3* C 01018 196.826 89.889 66.542 1.00737.35 O ATOM 20659 C2* C 01018 194.775 89.915 65.221 1.00737.35 C ATOM 20660 O2* C 01018 194.094 89.896 66.459 1.00737.35 O ATOM 20661 C1* C 01018 194.184 91.005 64.325 1.00737.35 C ATOM 20662 N1 C 01018 194.168 90.655 62.890 1.00737.35 N ATOM 20663 C2 C 01018 193.050 89.983 62.368 1.00737.35 C ATOM 20664 O2 C 01018 192.105 89.702 63.123 1.00737.35 O ATOM 20665 N3 C 01018 193.029 89.657 61.055 1.00737.35 N ATOM 20666 C4 C 01018 194.063 89.973 60.271 1.00737.35 C ATOM 20667 N4 C 01018 193.998 89.631 58.983 1.00737.35 N ATOM 20668 C5 C 01018 195.209 90.653 60.773 1.00737.35 C ATOM 20669 C6 C 01018 195.220 90.972 62.073 1.00737.35 C ATOM 20670 P U 01019 198.274 89.195 66.490 1.00737.35 P ATOM 20671 O1P U 01019 198.639 88.793 67.870 1.00737.35 O ATOM 20672 O2P U 01019 199.175 90.098 65.726 1.00737.35 O ATOM 20673 O5* U 01019 198.053 87.874 65.626 1.00737.35 O ATOM 20674 C5* U 01019 199.114 86.933 65.461 1.00737.35 C ATOM 20675 C4* U 01019 198.847 86.032 64.275 1.00737.35 C ATOM 20676 O4* U 01019 197.684 85.206 64.536 1.00737.35 O ATOM 20677 C3* U 01019 198.517 86.727 62.964 1.00737.35 C ATOM 20678 O3* U 01019 199.706 87.131 62.289 1.00737.35 O ATOM 20679 C2* U 01019 197.791 85.631 62.192 1.00737.35 C ATOM 20680 O2* U 01019 198.667 84.717 61.565 1.00737.35 O ATOM 20681 C1* U 01019 197.022 84.921 63.313 1.00737.35 C ATOM 20682 N1 U 01019 195.612 85.332 63.420 1.00737.35 N ATOM 20683 C2 U 01019 194.683 84.651 62.642 1.00737.35 C ATOM 20684 O2 U 01019 194.982 83.742 61.885 1.00737.35 O ATOM 20685 N3 U 01019 193.386 85.079 62.786 1.00737.35 N ATOM 20686 C4 U 01019 192.930 86.090 63.605 1.00737.35 C ATOM 20687 O4 U 01019 191.726 86.357 63.622 1.00737.35 O ATOM 20688 C5 U 01019 193.944 86.740 64.375 1.00737.35 C ATOM 20689 C6 U 01019 195.218 86.350 64.262 1.00737.35 C ATOM 20690 P A 01020 199.752 88.547 61.529 1.00737.35 P ATOM 20691 O1P A 01020 200.680 89.439 62.270 1.00737.35 O ATOM 20692 O2P A 01020 198.357 88.991 61.277 1.00737.35 O ATOM 20693 O5* A 01020 200.412 88.202 60.120 1.00737.35 O ATOM 20694 C5* A 01020 201.713 87.624 60.039 1.00737.35 C ATOM 20695 C4* A 01020 201.908 86.961 58.696 1.00737.35 C ATOM 20696 O4* A 01020 200.967 85.863 58.563 1.00737.35 O ATOM 20697 C3* A 01020 201.637 87.843 57.486 1.00737.35 C ATOM 20698 O3* A 01020 202.793 88.606 57.153 1.00737.35 O ATOM 20699 C2* A 01020 201.291 86.819 56.409 1.00737.35 C ATOM 20700 O2* A 01020 202.431 86.224 55.822 1.00737.35 O ATOM 20701 C1* A 01020 200.521 85.773 57.221 1.00737.35 C ATOM 20702 N9 A 01020 199.069 85.962 57.206 1.00737.35 N ATOM 20703 C8 A 01020 198.327 86.872 57.922 1.00737.35 C ATOM 20704 N7 A 01020 197.039 86.800 57.697 1.00737.35 N ATOM 20705 C5 A 01020 196.921 85.773 56.768 1.00737.35 C ATOM 20706 C6 A 01020 195.806 85.205 56.124 1.00737.35 C ATOM 20707 N6 A 01020 194.549 85.608 56.325 1.00737.35 N ATOM 20708 N1 A 01020 196.032 84.198 55.253 1.00737.35 N ATOM 20709 C2 A 01020 197.293 83.795 55.051 1.00737.35 C ATOM 20710 N3 A 01020 198.422 84.249 55.596 1.00737.35 N ATOM 20711 C4 A 01020 198.162 85.251 56.455 1.00737.35 C ATOM 20712 P A 01021 202.628 90.120 56.636 1.00737.35 P ATOM 20713 O1P A 01021 203.984 90.719 56.526 1.00737.35 O ATOM 20714 O2P A 01021 201.603 90.782 57.483 1.00737.35 O ATOM 20715 O5* A 01021 202.028 89.965 55.168 1.00737.35 O ATOM 20716 C5* A 01021 202.802 89.386 54.119 1.00737.35 C ATOM 20717 C4* A 01021 201.947 89.173 52.892 1.00737.35 C ATOM 20718 O4* A 01021 200.885 88.237 53.206 1.00737.35 O ATOM 20719 C3* A 01021 201.223 90.403 52.367 1.00737.35 C ATOM 20720 O3* A 01021 202.073 91.165 51.514 1.00737.35 O ATOM 20721 C2* A 01021 200.051 89.789 51.609 1.00737.35 C ATOM 20722 O2* A 01021 200.398 89.341 50.315 1.00737.35 O ATOM 20723 C1* A 01021 199.709 88.592 52.498 1.00737.35 C ATOM 20724 N9 A 01021 198.649 88.854 53.470 1.00737.35 N ATOM 20725 C8 A 01021 198.702 89.654 54.589 1.00737.35 C ATOM 20726 N7 A 01021 197.582 89.688 55.267 1.00737.35 N ATOM 20727 C5 A 01021 196.731 88.858 54.552 1.00737.35 C ATOM 20728 C6 A 01021 195.395 88.473 54.753 1.00737.35 C ATOM 20729 N6 A 01021 194.649 88.895 55.777 1.00737.35 N ATOM 20730 N1 A 01021 194.842 87.629 53.855 1.00737.35 N ATOM 20731 C2 A 01021 195.591 87.207 52.827 1.00737.35 C ATOM 20732 N3 A 01021 196.856 87.498 52.531 1.00737.35 N ATOM 20733 C4 A 01021 197.375 88.336 53.443 1.00737.35 C ATOM 20734 P A 01022 201.850 92.752 51.374 1.00737.35 P ATOM 20735 O1P A 01022 203.072 93.327 50.757 1.00737.35 O ATOM 20736 O2P A 01022 201.384 93.265 52.689 1.00737.35 O ATOM 20737 O5* A 01022 200.662 92.881 50.318 1.00737.35 O ATOM 20738 C5* A 01022 199.463 93.582 50.639 1.00737.35 C ATOM 20739 C4* A 01022 199.322 94.802 49.762 1.00737.35 C ATOM 20740 O4* A 01022 199.320 94.399 48.368 1.00737.35 O ATOM 20741 C3* A 01022 198.028 95.582 49.927 1.00737.35 C ATOM 20742 O3* A 01022 198.125 96.478 51.029 1.00737.35 O ATOM 20743 C2* A 01022 197.929 96.319 48.595 1.00737.35 C ATOM 20744 O2* A 01022 198.723 97.488 48.547 1.00737.35 O ATOM 20745 C1* A 01022 198.488 95.274 47.623 1.00737.35 C ATOM 20746 N9 A 01022 197.464 94.474 46.946 1.00737.35 N ATOM 20747 C8 A 01022 196.411 93.796 47.508 1.00737.35 C ATOM 20748 N7 A 01022 195.657 93.170 46.632 1.00737.35 N ATOM 20749 C5 A 01022 196.256 93.455 45.414 1.00737.35 C ATOM 20750 C6 A 01022 195.938 93.085 44.094 1.00737.35 C ATOM 20751 N6 A 01022 194.892 92.319 43.774 1.00737.35 N ATOM 20752 N1 A 01022 196.740 93.532 43.104 1.00737.35 N ATOM 20753 C2 A 01022 197.787 94.302 43.429 1.00737.35 C ATOM 20754 N3 A 01022 198.186 94.720 44.629 1.00737.35 N ATOM 20755 C4 A 01022 197.369 94.257 45.591 1.00737.35 C ATOM 20756 P U 01023 196.962 96.510 52.140 1.00737.35 P ATOM 20757 O1P U 01023 197.463 97.333 53.273 1.00737.35 O ATOM 20758 O2P U 01023 196.505 95.121 52.393 1.00737.35 O ATOM 20759 O5* U 01023 195.776 97.310 51.440 1.00737.35 O ATOM 20760 C5* U 01023 195.993 98.606 50.888 1.00737.35 C ATOM 20761 C4* U 01023 194.711 99.403 50.894 1.00737.35 C ATOM 20762 O4* U 01023 194.208 99.503 52.252 1.00737.35 O ATOM 20763 C3* U 01023 194.858 100.845 50.435 1.00737.35 C ATOM 20764 O3* U 01023 194.785 100.928 49.017 1.00737.35 O ATOM 20765 C2* U 01023 193.678 101.524 51.117 1.00737.35 C ATOM 20766 O2* U 01023 192.456 101.342 50.427 1.00737.35 O ATOM 20767 C1* U 01023 193.634 100.788 52.457 1.00737.35 C ATOM 20768 N1 U 01023 194.374 101.467 53.533 1.00737.35 N ATOM 20769 C2 U 01023 193.724 102.477 54.231 1.00737.35 C ATOM 20770 O2 U 01023 192.578 102.825 53.989 1.00737.35 O ATOM 20771 N3 U 01023 194.467 103.066 55.223 1.00737.35 N ATOM 20772 C4 U 01023 195.764 102.763 55.584 1.00737.35 C ATOM 20773 O4 U 01023 196.297 103.385 56.504 1.00737.35 O ATOM 20774 C5 U 01023 196.367 101.717 54.819 1.00737.35 C ATOM 20775 C6 U 01023 195.672 101.120 53.846 1.00737.35 C ATOM 20776 P G 01024 195.888 101.774 48.211 1.00737.35 P ATOM 20777 O1P G 01024 197.224 101.403 48.744 1.00737.35 O ATOM 20778 O2P G 01024 195.469 103.199 48.210 1.00737.35 O ATOM 20779 O5* G 01024 195.779 101.222 46.720 1.00737.35 O ATOM 20780 C5* G 01024 195.905 99.828 46.444 1.00737.35 C ATOM 20781 C4* G 01024 196.553 99.619 45.096 1.00737.35 C ATOM 20782 O4* G 01024 196.731 98.197 44.862 1.00737.35 O ATOM 20783 C3* G 01024 195.744 100.095 43.902 1.00737.35 C ATOM 20784 O3* G 01024 195.930 101.488 43.676 1.00737.35 O ATOM 20785 C2* G 01024 196.314 99.248 42.772 1.00737.35 C ATOM 20786 O2* G 01024 197.542 99.740 42.271 1.00737.35 O ATOM 20787 C1* G 01024 196.540 97.914 43.483 1.00737.35 C ATOM 20788 N9 G 01024 195.413 96.994 43.349 1.00737.35 N ATOM 20789 C8 G 01024 194.419 96.750 44.267 1.00737.35 C ATOM 20790 N7 G 01024 193.540 95.876 43.857 1.00737.35 N ATOM 20791 C5 G 01024 193.979 95.519 42.590 1.00737.35 C ATOM 20792 C6 G 01024 193.431 94.605 41.650 1.00737.35 C ATOM 20793 O6 G 01024 192.413 93.907 41.754 1.00737.35 O ATOM 20794 N1 G 01024 194.195 94.546 40.490 1.00737.35 N ATOM 20795 C2 G 01024 195.340 95.270 40.259 1.00737.35 C ATOM 20796 N2 G 01024 195.935 95.072 39.074 1.00737.35 N ATOM 20797 N3 G 01024 195.861 96.124 41.125 1.00737.35 N ATOM 20798 C4 G 01024 195.135 96.198 42.260 1.00737.35 C ATOM 20799 P A 01025 194.751 102.348 43.003 1.00737.35 P ATOM 20800 O1P A 01025 195.222 103.755 42.921 1.00737.35 O ATOM 20801 O2P A 01025 193.480 102.041 43.710 1.00737.35 O ATOM 20802 O5* A 01025 194.650 101.766 41.523 1.00737.35 O ATOM 20803 C5* A 01025 195.677 102.020 40.567 1.00737.35 C ATOM 20804 C4* A 01025 195.278 101.485 39.209 1.00737.35 C ATOM 20805 O4* A 01025 195.228 100.035 39.247 1.00737.35 O ATOM 20806 C3* A 01025 193.897 101.886 38.717 1.00737.35 C ATOM 20807 O3* A 01025 193.914 103.185 38.132 1.00737.35 O ATOM 20808 C2* A 01025 193.594 100.800 37.692 1.00737.35 C ATOM 20809 O2* A 01025 194.202 101.033 36.435 1.00737.35 O ATOM 20810 C1* A 01025 194.227 99.573 38.353 1.00737.35 C ATOM 20811 N9 A 01025 193.270 98.755 39.102 1.00737.35 N ATOM 20812 C8 A 01025 192.885 98.878 40.417 1.00737.35 C ATOM 20813 N7 A 01025 191.998 97.988 40.794 1.00737.35 N ATOM 20814 C5 A 01025 191.785 97.228 39.652 1.00737.35 C ATOM 20815 C6 A 01025 190.953 96.122 39.391 1.00737.35 C ATOM 20816 N6 A 01025 190.146 95.569 40.299 1.00737.35 N ATOM 20817 N1 A 01025 190.979 95.599 38.146 1.00737.35 N ATOM 20818 C2 A 01025 191.782 96.154 37.235 1.00737.35 C ATOM 20819 N3 A 01025 192.608 97.190 37.356 1.00737.35 N ATOM 20820 C4 A 01025 192.561 97.688 38.604 1.00737.35 C ATOM 20821 P U 01026 192.590 104.096 38.181 1.00737.35 P ATOM 20822 O1P U 01026 192.969 105.448 37.696 1.00737.35 O ATOM 20823 O2P U 01026 191.963 103.951 39.522 1.00737.35 O ATOM 20824 O5* U 01026 191.624 103.427 37.105 1.00737.35 O ATOM 20825 C5* U 01026 191.881 103.565 35.709 1.00737.35 C ATOM 20826 C4* U 01026 190.788 102.902 34.903 1.00737.35 C ATOM 20827 O4* U 01026 190.826 101.466 35.113 1.00737.35 O ATOM 20828 C3* U 01026 189.361 103.289 35.258 1.00737.35 C ATOM 20829 O3* U 01026 188.993 104.517 34.633 1.00737.35 O ATOM 20830 C2* U 01026 188.565 102.107 34.716 1.00737.35 C ATOM 20831 O2* U 01026 188.327 102.189 33.323 1.00737.35 O ATOM 20832 C1* U 01026 189.511 100.939 35.010 1.00737.35 C ATOM 20833 N1 U 01026 189.188 100.214 36.251 1.00737.35 N ATOM 20834 C2 U 01026 188.293 99.158 36.166 1.00737.35 C ATOM 20835 O2 U 01026 187.772 98.806 35.120 1.00737.35 O ATOM 20836 N3 U 01026 188.027 98.525 37.355 1.00737.35 N ATOM 20837 C4 U 01026 188.550 98.828 38.595 1.00737.35 C ATOM 20838 O4 U 01026 188.207 98.161 39.574 1.00737.35 O ATOM 20839 C5 U 01026 189.466 99.928 38.603 1.00737.35 C ATOM 20840 C6 U 01026 189.747 100.567 37.462 1.00737.35 C ATOM 20841 P C 01027 187.796 105.397 35.252 1.00737.35 P ATOM 20842 O1P C 01027 187.823 106.731 34.598 1.00737.35 O ATOM 20843 O2P C 01027 187.879 105.308 36.733 1.00737.35 O ATOM 20844 O5* C 01027 186.477 104.636 34.783 1.00737.35 O ATOM 20845 C5* C 01027 186.114 104.585 33.404 1.00737.35 C ATOM 20846 C4* C 01027 184.924 103.672 33.206 1.00737.35 C ATOM 20847 O4* C 01027 185.285 102.316 33.585 1.00737.35 O ATOM 20848 C3* C 01027 183.696 103.978 34.047 1.00737.35 C ATOM 20849 O3* C 01027 182.904 105.003 33.451 1.00737.35 O ATOM 20850 C2* C 01027 182.972 102.636 34.060 1.00737.35 C ATOM 20851 O2* C 01027 182.215 102.402 32.888 1.00737.35 O ATOM 20852 C1* C 01027 184.147 101.655 34.119 1.00737.35 C ATOM 20853 N1 C 01027 184.460 101.191 35.486 1.00737.35 N ATOM 20854 C2 C 01027 183.773 100.073 35.995 1.00737.35 C ATOM 20855 O2 C 01027 182.926 99.507 35.284 1.00737.35 O ATOM 20856 N3 C 01027 184.052 99.642 37.248 1.00737.35 N ATOM 20857 C4 C 01027 184.967 100.272 37.983 1.00737.35 C ATOM 20858 N4 C 01027 185.206 99.811 39.214 1.00737.35 N ATOM 20859 C5 C 01027 185.678 101.407 37.493 1.00737.35 C ATOM 20860 C6 C 01027 185.397 101.828 36.253 1.00737.35 C ATOM 20861 P G 01028 181.835 105.807 34.341 1.00737.35 P ATOM 20862 O1P G 01028 181.170 106.812 33.474 1.00737.35 O ATOM 20863 O2P G 01028 182.524 106.249 35.582 1.00737.35 O ATOM 20864 O5* G 01028 180.759 104.696 34.731 1.00737.35 O ATOM 20865 C5* G 01028 179.862 104.890 35.823 1.00737.35 C ATOM 20866 C4* G 01028 179.036 103.645 36.044 1.00737.35 C ATOM 20867 O4* G 01028 179.922 102.505 36.207 1.00737.35 O ATOM 20868 C3* G 01028 178.177 103.642 37.298 1.00737.35 C ATOM 20869 O3* G 01028 176.929 104.290 37.063 1.00737.35 O ATOM 20870 C2* G 01028 178.005 102.152 37.568 1.00737.35 C ATOM 20871 O2* G 01028 176.997 101.556 36.776 1.00737.35 O ATOM 20872 C1* G 01028 179.375 101.609 37.160 1.00737.35 C ATOM 20873 N9 G 01028 180.314 101.486 38.274 1.00737.35 N ATOM 20874 C8 G 01028 181.364 102.324 38.574 1.00737.35 C ATOM 20875 N7 G 01028 182.028 101.954 39.635 1.00737.35 N ATOM 20876 C5 G 01028 181.379 100.803 40.065 1.00737.35 C ATOM 20877 C6 G 01028 181.646 99.956 41.170 1.00737.35 C ATOM 20878 O6 G 01028 182.542 100.054 42.018 1.00737.35 O ATOM 20879 N1 G 01028 180.741 98.902 41.236 1.00737.35 N ATOM 20880 C2 G 01028 179.711 98.686 40.355 1.00737.35 C ATOM 20881 N2 G 01028 178.945 97.612 40.588 1.00737.35 N ATOM 20882 N3 G 01028 179.451 99.469 39.319 1.00737.35 N ATOM 20883 C4 G 01028 180.318 100.500 39.236 1.00737.35 C ATOM 20884 P C 01029 176.135 104.960 38.290 1.00737.35 P ATOM 20885 O1P C 01029 174.981 105.714 37.735 1.00737.35 O ATOM 20886 O2P C 01029 177.126 105.664 39.143 1.00737.35 O ATOM 20887 O5* C 01029 175.575 103.718 39.116 1.00737.35 O ATOM 20888 C5* C 01029 174.580 102.855 38.565 1.00737.35 C ATOM 20889 C4* C 01029 174.332 101.683 39.488 1.00737.35 C ATOM 20890 O4* C 01029 175.552 100.903 39.603 1.00737.35 O ATOM 20891 C3* C 01029 173.965 102.037 40.919 1.00737.35 C ATOM 20892 O3* C 01029 172.565 102.259 41.054 1.00737.35 O ATOM 20893 C2* C 01029 174.412 100.798 41.685 1.00737.35 C ATOM 20894 O2* C 01029 173.482 99.735 41.614 1.00737.35 O ATOM 20895 C1* C 01029 175.690 100.418 40.932 1.00737.35 C ATOM 20896 N1 C 01029 176.921 100.990 41.519 1.00737.35 N ATOM 20897 C2 C 01029 177.473 100.388 42.668 1.00737.35 C ATOM 20898 O2 C 01029 176.905 99.403 43.174 1.00737.35 O ATOM 20899 N3 C 01029 178.605 100.901 43.196 1.00737.35 N ATOM 20900 C4 C 01029 179.188 101.964 42.637 1.00737.35 C ATOM 20901 N4 C 01029 180.308 102.428 43.193 1.00737.35 N ATOM 20902 C5 C 01029 178.646 102.596 41.479 1.00737.35 C ATOM 20903 C6 C 01029 177.524 102.082 40.960 1.00737.35 C ATOM 20904 P U 01030 172.026 103.469 41.973 1.00737.35 P ATOM 20905 O1P U 01030 170.545 103.483 41.873 1.00737.35 O ATOM 20906 O2P U 01030 172.793 104.690 41.613 1.00737.35 O ATOM 20907 O5* U 01030 172.412 103.049 43.460 1.00737.35 O ATOM 20908 C5* U 01030 173.772 103.017 43.888 1.00737.35 C ATOM 20909 C4* U 01030 173.880 102.383 45.254 1.00737.35 C ATOM 20910 O4* U 01030 175.279 102.148 45.560 1.00737.35 O ATOM 20911 C3* U 01030 173.362 103.226 46.407 1.00737.35 C ATOM 20912 O3* U 01030 171.960 103.030 46.587 1.00737.35 O ATOM 20913 C2* U 01030 174.165 102.691 47.588 1.00737.35 C ATOM 20914 O2* U 01030 173.634 101.496 48.126 1.00737.35 O ATOM 20915 C1* U 01030 175.517 102.404 46.932 1.00737.35 C ATOM 20916 N1 U 01030 176.486 103.509 47.041 1.00737.35 N ATOM 20917 C2 U 01030 177.256 103.588 48.194 1.00737.35 C ATOM 20918 O2 U 01030 177.161 102.793 49.116 1.00737.35 O ATOM 20919 N3 U 01030 178.145 104.636 48.223 1.00737.35 N ATOM 20920 C4 U 01030 178.341 105.590 47.247 1.00737.35 C ATOM 20921 O4 U 01030 179.197 106.460 47.410 1.00737.35 O ATOM 20922 C5 U 01030 177.507 105.445 46.094 1.00737.35 C ATOM 20923 C6 U 01030 176.632 104.437 46.031 1.00737.35 C ATOM 20924 P C 01031 171.018 104.277 46.968 1.00737.35 P ATOM 20925 O1P C 01031 169.638 103.768 47.174 1.00737.35 O ATOM 20926 O2P C 01031 171.262 105.348 45.967 1.00737.35 O ATOM 20927 O5* C 01031 171.579 104.779 48.373 1.00737.35 O ATOM 20928 C5* C 01031 171.733 103.879 49.467 1.00737.35 C ATOM 20929 C4* C 01031 172.547 104.524 50.565 1.00737.35 C ATOM 20930 O4* C 01031 173.834 104.921 50.027 1.00737.35 O ATOM 20931 C3* C 01031 171.965 105.802 51.151 1.00737.35 C ATOM 20932 O3* C 01031 171.049 105.489 52.195 1.00737.35 O ATOM 20933 C2* C 01031 173.206 106.512 51.683 1.00737.35 C ATOM 20934 O2* C 01031 173.619 106.036 52.949 1.00737.35 O ATOM 20935 C1* C 01031 174.250 106.138 50.628 1.00737.35 C ATOM 20936 N1 C 01031 174.433 107.153 49.569 1.00737.35 N ATOM 20937 C2 C 01031 175.353 108.195 49.778 1.00737.35 C ATOM 20938 O2 C 01031 175.985 108.241 50.847 1.00737.35 O ATOM 20939 N3 C 01031 175.528 109.124 48.811 1.00737.35 N ATOM 20940 C4 C 01031 174.830 109.045 47.673 1.00737.35 C ATOM 20941 N4 C 01031 175.039 109.983 46.746 1.00737.35 N ATOM 20942 C5 C 01031 173.891 108.001 47.435 1.00737.35 C ATOM 20943 C6 C 01031 173.724 107.085 48.399 1.00737.35 C ATOM 20944 P A 01032 169.873 106.523 52.569 1.00737.35 P ATOM 20945 O1P A 01032 169.116 106.845 51.333 1.00737.35 O ATOM 20946 O2P A 01032 170.483 107.621 53.363 1.00737.35 O ATOM 20947 O5* A 01032 168.920 105.683 53.531 1.00737.35 O ATOM 20948 C5* A 01032 169.439 105.006 54.674 1.00737.35 C ATOM 20949 C4* A 01032 169.311 103.511 54.497 1.00737.35 C ATOM 20950 O4* A 01032 169.960 103.127 53.256 1.00737.35 O ATOM 20951 C3* A 01032 169.997 102.664 55.561 1.00737.35 C ATOM 20952 O3* A 01032 169.137 102.454 56.679 1.00737.35 O ATOM 20953 C2* A 01032 170.263 101.359 54.817 1.00737.35 C ATOM 20954 O2* A 01032 169.138 100.503 54.774 1.00737.35 O ATOM 20955 C1* A 01032 170.583 101.867 53.408 1.00737.35 C ATOM 20956 N9 A 01032 172.016 102.025 53.145 1.00737.35 N ATOM 20957 C8 A 01032 172.885 102.933 53.698 1.00737.35 C ATOM 20958 N7 A 01032 174.115 102.821 53.258 1.00737.35 N ATOM 20959 C5 A 01032 174.053 101.768 52.357 1.00737.35 C ATOM 20960 C6 A 01032 175.027 101.154 51.551 1.00737.35 C ATOM 20961 N6 A 01032 176.309 101.527 51.526 1.00737.35 N ATOM 20962 N1 A 01032 174.636 100.130 50.762 1.00737.35 N ATOM 20963 C2 A 01032 173.351 99.756 50.790 1.00737.35 C ATOM 20964 N3 A 01032 172.343 100.252 51.505 1.00737.35 N ATOM 20965 C4 A 01032 172.766 101.268 52.277 1.00737.35 C ATOM 20966 P G 01033 169.754 102.400 58.164 1.00737.35 P ATOM 20967 O1P G 01033 168.862 101.533 58.975 1.00737.35 O ATOM 20968 O2P G 01033 170.018 103.794 58.603 1.00737.35 O ATOM 20969 O5* G 01033 171.144 101.638 57.986 1.00737.35 O ATOM 20970 C5* G 01033 172.383 102.343 58.070 1.00737.35 C ATOM 20971 C4* G 01033 173.339 101.855 57.008 1.00737.35 C ATOM 20972 O4* G 01033 174.508 102.716 56.997 1.00737.35 O ATOM 20973 C3* G 01033 173.901 100.455 57.207 1.00737.35 C ATOM 20974 O3* G 01033 173.029 99.462 56.670 1.00737.35 O ATOM 20975 C2* G 01033 175.211 100.517 56.432 1.00737.35 C ATOM 20976 O2* G 01033 175.042 100.331 55.038 1.00737.35 O ATOM 20977 C1* G 01033 175.666 101.952 56.709 1.00737.35 C ATOM 20978 N9 G 01033 176.589 102.064 57.835 1.00737.35 N ATOM 20979 C8 G 01033 176.267 102.198 59.166 1.00737.35 C ATOM 20980 N7 G 01033 177.314 102.275 59.942 1.00737.35 N ATOM 20981 C5 G 01033 178.393 102.186 59.072 1.00737.35 C ATOM 20982 C6 G 01033 179.787 102.210 59.331 1.00737.35 C ATOM 20983 O6 G 01033 180.367 102.318 60.419 1.00737.35 O ATOM 20984 N1 G 01033 180.526 102.091 58.159 1.00737.35 N ATOM 20985 C2 G 01033 179.997 101.965 56.900 1.00737.35 C ATOM 20986 N2 G 01033 180.876 101.863 55.895 1.00737.35 N ATOM 20987 N3 G 01033 178.701 101.941 56.644 1.00737.35 N ATOM 20988 C4 G 01033 177.962 102.056 57.769 1.00737.35 C ATOM 20989 P U 01034 173.106 97.950 57.217 1.00737.35 P ATOM 20990 O1P U 01034 172.002 97.779 58.196 1.00737.35 O ATOM 20991 O2P U 01034 174.502 97.659 57.631 1.00737.35 O ATOM 20992 O5* U 01034 172.782 97.062 55.934 1.00737.35 O ATOM 20993 C5* U 01034 171.454 96.962 55.421 1.00737.35 C ATOM 20994 C4* U 01034 171.474 96.405 54.015 1.00737.35 C ATOM 20995 O4* U 01034 172.146 97.343 53.136 1.00737.35 O ATOM 20996 C3* U 01034 172.237 95.103 53.826 1.00737.35 C ATOM 20997 O3* U 01034 171.422 93.977 54.136 1.00737.35 O ATOM 20998 C2* U 01034 172.574 95.140 52.341 1.00737.35 C ATOM 20999 O2* U 01034 171.493 94.733 51.523 1.00737.35 O ATOM 21000 C1* U 01034 172.847 96.631 52.128 1.00737.35 C ATOM 21001 N1 U 01034 174.275 96.987 52.195 1.00737.35 N ATOM 21002 C2 U 01034 175.050 96.781 51.060 1.00737.35 C ATOM 21003 O2 U 01034 174.603 96.322 50.020 1.00737.35 O ATOM 21004 N3 U 01034 176.371 97.135 51.190 1.00737.35 N ATOM 21005 C4 U 01034 176.987 97.661 52.304 1.00737.35 C ATOM 21006 O4 U 01034 178.189 97.927 52.262 1.00737.35 O ATOM 21007 C5 U 01034 176.126 97.842 53.432 1.00737.35 C ATOM 21008 C6 U 01034 174.835 97.509 53.343 1.00737.35 C ATOM 21009 P G 01035 172.028 92.762 54.999 1.00737.35 P ATOM 21010 O1P G 01035 171.192 91.569 54.715 1.00737.35 O ATOM 21011 O2P G 01035 172.192 93.226 56.401 1.00737.35 O ATOM 21012 O5* G 01035 173.477 92.518 54.380 1.00737.35 O ATOM 21013 C5* G 01035 173.640 91.992 53.062 1.00737.35 C ATOM 21014 C4* G 01035 175.097 92.040 52.660 1.00737.35 C ATOM 21015 O4* G 01035 175.541 93.422 52.633 1.00737.35 O ATOM 21016 C3* G 01035 176.066 91.337 53.602 1.00737.35 C ATOM 21017 O3* G 01035 176.163 89.954 53.271 1.00737.35 O ATOM 21018 C2* G 01035 177.373 92.076 53.336 1.00737.35 C ATOM 21019 O2* G 01035 178.050 91.614 52.185 1.00737.35 O ATOM 21020 C1* G 01035 176.877 93.506 53.103 1.00737.35 C ATOM 21021 N9 G 01035 176.887 94.341 54.302 1.00737.35 N ATOM 21022 C8 G 01035 175.906 94.420 55.262 1.00737.35 C ATOM 21023 N7 G 01035 176.188 95.267 56.215 1.00737.35 N ATOM 21024 C5 G 01035 177.431 95.777 55.867 1.00737.35 C ATOM 21025 C6 G 01035 178.240 96.740 56.519 1.00737.35 C ATOM 21026 O6 G 01035 178.012 97.356 57.567 1.00737.35 O ATOM 21027 N1 G 01035 179.425 96.965 55.825 1.00737.35 N ATOM 21028 C2 G 01035 179.785 96.348 54.654 1.00737.35 C ATOM 21029 N2 G 01035 180.975 96.703 54.140 1.00737.35 N ATOM 21030 N3 G 01035 179.038 95.449 54.031 1.00737.35 N ATOM 21031 C4 G 01035 177.880 95.214 54.690 1.00737.35 C ATOM 21032 P G 01036 176.704 88.903 54.363 1.00737.35 P ATOM 21033 O1P G 01036 177.880 89.509 55.038 1.00737.35 O ATOM 21034 O2P G 01036 176.847 87.587 53.688 1.00737.35 O ATOM 21035 O5* G 01036 175.525 88.797 55.434 1.00737.35 O ATOM 21036 C5* G 01036 175.291 87.579 56.140 1.00737.35 C ATOM 21037 C4* G 01036 174.966 87.859 57.590 1.00737.35 C ATOM 21038 O4* G 01036 176.086 88.546 58.208 1.00737.35 O ATOM 21039 C3* G 01036 173.777 88.769 57.852 1.00737.35 C ATOM 21040 O3* G 01036 172.562 88.029 57.839 1.00737.35 O ATOM 21041 C2* G 01036 174.083 89.306 59.247 1.00737.35 C ATOM 21042 O2* G 01036 173.723 88.410 60.279 1.00737.35 O ATOM 21043 C1* G 01036 175.606 89.446 59.195 1.00737.35 C ATOM 21044 N9 G 01036 176.062 90.794 58.863 1.00737.35 N ATOM 21045 C8 G 01036 176.546 91.238 57.655 1.00737.35 C ATOM 21046 N7 G 01036 176.878 92.501 57.669 1.00737.35 N ATOM 21047 C5 G 01036 176.597 92.916 58.961 1.00737.35 C ATOM 21048 C6 G 01036 176.753 94.189 59.574 1.00737.35 C ATOM 21049 O6 G 01036 177.184 95.235 59.078 1.00737.35 O ATOM 21050 N1 G 01036 176.341 94.173 60.903 1.00737.35 N ATOM 21051 C2 G 01036 175.847 93.074 61.560 1.00737.35 C ATOM 21052 N2 G 01036 175.504 93.260 62.843 1.00737.35 N ATOM 21053 N3 G 01036 175.700 91.884 61.006 1.00737.35 N ATOM 21054 C4 G 01036 176.092 91.877 59.712 1.00737.35 C ATOM 21055 P U 01037 171.165 88.793 57.621 1.00737.35 P ATOM 21056 O1P U 01037 171.219 89.444 56.288 1.00737.35 O ATOM 21057 O2P U 01037 170.882 89.613 58.827 1.00737.35 O ATOM 21058 O5* U 01037 170.089 87.620 57.545 1.00737.35 O ATOM 21059 C5* U 01037 169.891 86.727 58.640 1.00737.35 C ATOM 21060 C4* U 01037 169.218 85.464 58.161 1.00737.35 C ATOM 21061 O4* U 01037 169.041 84.552 59.277 1.00737.35 O ATOM 21062 C3* U 01037 167.817 85.651 57.604 1.00737.35 C ATOM 21063 O3* U 01037 167.875 86.046 56.236 1.00737.35 O ATOM 21064 C2* U 01037 167.213 84.264 57.783 1.00737.35 C ATOM 21065 O2* U 01037 167.592 83.356 56.764 1.00737.35 O ATOM 21066 C1* U 01037 167.828 83.833 59.116 1.00737.35 C ATOM 21067 N1 U 01037 166.965 84.097 60.279 1.00737.35 N ATOM 21068 C2 U 01037 166.060 83.110 60.654 1.00737.35 C ATOM 21069 O2 U 01037 165.955 82.044 60.068 1.00737.35 O ATOM 21070 N3 U 01037 165.286 83.420 61.745 1.00737.35 N ATOM 21071 C4 U 01037 165.315 84.583 62.485 1.00737.35 C ATOM 21072 O4 U 01037 164.552 84.709 63.443 1.00737.35 O ATOM 21073 C5 U 01037 166.269 85.551 62.036 1.00737.35 C ATOM 21074 C6 U 01037 167.040 85.282 60.980 1.00737.35 C ATOM 21075 P U 01038 166.843 87.147 55.677 1.00737.35 P ATOM 21076 O1P U 01038 167.484 87.786 54.499 1.00737.35 O ATOM 21077 O2P U 01038 166.379 87.992 56.807 1.00737.35 O ATOM 21078 O5* U 01038 165.608 86.286 55.157 1.00737.35 O ATOM 21079 C5* U 01038 165.798 85.222 54.228 1.00737.35 C ATOM 21080 C4* U 01038 164.465 84.721 53.719 1.00737.35 C ATOM 21081 O4* U 01038 163.684 84.229 54.838 1.00737.35 O ATOM 21082 C3* U 01038 163.571 85.761 53.062 1.00737.35 C ATOM 21083 O3* U 01038 163.914 85.935 51.691 1.00737.35 O ATOM 21084 C2* U 01038 162.189 85.142 53.234 1.00737.35 C ATOM 21085 O2* U 01038 161.913 84.132 52.284 1.00737.35 O ATOM 21086 C1* U 01038 162.310 84.517 54.625 1.00737.35 C ATOM 21087 N1 U 01038 161.834 85.390 55.713 1.00737.35 N ATOM 21088 C2 U 01038 160.464 85.462 55.928 1.00737.35 C ATOM 21089 O2 U 01038 159.649 84.848 55.261 1.00737.35 O ATOM 21090 N3 U 01038 160.084 86.290 56.957 1.00737.35 N ATOM 21091 C4 U 01038 160.908 87.036 57.773 1.00737.35 C ATOM 21092 O4 U 01038 160.411 87.730 58.661 1.00737.35 O ATOM 21093 C5 U 01038 162.303 86.912 57.488 1.00737.35 C ATOM 21094 C6 U 01038 162.708 86.114 56.494 1.00737.35 C ATOM 21095 P A 01039 163.440 87.260 50.907 1.00737.35 P ATOM 21096 O1P A 01039 164.188 87.305 49.625 1.00737.35 O ATOM 21097 O2P A 01039 163.512 88.417 51.838 1.00737.35 O ATOM 21098 O5* A 01039 161.907 86.984 50.574 1.00737.35 O ATOM 21099 C5* A 01039 161.519 85.857 49.791 1.00737.35 C ATOM 21100 C4* A 01039 160.030 85.615 49.913 1.00737.35 C ATOM 21101 O4* A 01039 159.698 85.387 51.308 1.00737.35 O ATOM 21102 C3* A 01039 159.131 86.768 49.494 1.00737.35 C ATOM 21103 O3* A 01039 158.909 86.750 48.085 1.00737.35 O ATOM 21104 C2* A 01039 157.857 86.481 50.282 1.00737.35 C ATOM 21105 O2* A 01039 157.043 85.492 49.683 1.00737.35 O ATOM 21106 C1* A 01039 158.431 85.953 51.600 1.00737.35 C ATOM 21107 N9 A 01039 158.609 86.994 52.613 1.00737.35 N ATOM 21108 C8 A 01039 159.687 87.827 52.789 1.00737.35 C ATOM 21109 N7 A 01039 159.551 88.666 53.787 1.00737.35 N ATOM 21110 C5 A 01039 158.300 88.364 54.304 1.00737.35 C ATOM 21111 C6 A 01039 157.566 88.901 55.379 1.00737.35 C ATOM 21112 N6 A 01039 158.009 89.895 56.154 1.00737.35 N ATOM 21113 N1 A 01039 156.349 88.376 55.632 1.00737.35 N ATOM 21114 C2 A 01039 155.906 87.381 54.856 1.00737.35 C ATOM 21115 N3 A 01039 156.500 86.794 53.820 1.00737.35 N ATOM 21116 C4 A 01039 157.708 87.337 53.593 1.00737.35 C ATOM 21117 P A 01040 158.213 88.014 47.368 1.00737.35 P ATOM 21118 O1P A 01040 158.541 87.928 45.922 1.00737.35 O ATOM 21119 O2P A 01040 158.553 89.245 48.125 1.00737.35 O ATOM 21120 O5* A 01040 156.652 87.736 47.542 1.00737.35 O ATOM 21121 C5* A 01040 156.027 86.632 46.885 1.00737.35 C ATOM 21122 C4* A 01040 154.575 86.532 47.293 1.00737.35 C ATOM 21123 O4* A 01040 154.489 86.255 48.715 1.00737.35 O ATOM 21124 C3* A 01040 153.742 87.791 47.105 1.00737.35 C ATOM 21125 O3* A 01040 153.252 87.887 45.772 1.00737.35 O ATOM 21126 C2* A 01040 152.607 87.576 48.102 1.00737.35 C ATOM 21127 O2* A 01040 151.588 86.731 47.609 1.00737.35 O ATOM 21128 C1* A 01040 153.338 86.885 49.256 1.00737.35 C ATOM 21129 N9 A 01040 153.762 87.807 50.312 1.00737.35 N ATOM 21130 C8 A 01040 155.003 88.373 50.500 1.00737.35 C ATOM 21131 N7 A 01040 155.070 89.163 51.544 1.00737.35 N ATOM 21132 C5 A 01040 153.792 89.117 52.080 1.00737.35 C ATOM 21133 C6 A 01040 153.212 89.741 53.200 1.00737.35 C ATOM 21134 N6 A 01040 153.875 90.568 54.012 1.00737.35 N ATOM 21135 N1 A 01040 151.913 89.484 53.459 1.00737.35 N ATOM 21136 C2 A 01040 151.248 88.655 52.646 1.00737.35 C ATOM 21137 N3 A 01040 151.681 88.009 51.564 1.00737.35 N ATOM 21138 C4 A 01040 152.976 88.285 51.334 1.00737.35 C ATOM 21139 P G 01041 153.342 89.287 44.984 1.00737.35 P ATOM 21140 O1P G 01041 152.493 89.169 43.772 1.00737.35 O ATOM 21141 O2P G 01041 154.776 89.647 44.840 1.00737.35 O ATOM 21142 O5* G 01041 152.660 90.340 45.969 1.00737.35 O ATOM 21143 C5* G 01041 151.341 90.134 46.467 1.00737.35 C ATOM 21144 C4* G 01041 151.023 91.150 47.542 1.00737.35 C ATOM 21145 O4* G 01041 151.991 91.020 48.618 1.00737.35 O ATOM 21146 C3* G 01041 151.125 92.606 47.118 1.00737.35 C ATOM 21147 O3* G 01041 149.921 93.052 46.505 1.00737.35 O ATOM 21148 C2* G 01041 151.385 93.310 48.443 1.00737.35 C ATOM 21149 O2* G 01041 150.212 93.510 49.206 1.00737.35 O ATOM 21150 C1* G 01041 152.299 92.305 49.142 1.00737.35 C ATOM 21151 N9 G 01041 153.718 92.571 48.917 1.00737.35 N ATOM 21152 C8 G 01041 154.542 91.971 47.994 1.00737.35 C ATOM 21153 N7 G 01041 155.762 92.427 48.023 1.00737.35 N ATOM 21154 C5 G 01041 155.750 93.389 49.023 1.00737.35 C ATOM 21155 C6 G 01041 156.790 94.225 49.510 1.00737.35 C ATOM 21156 O6 G 01041 157.966 94.286 49.140 1.00737.35 O ATOM 21157 N1 G 01041 156.341 95.051 50.534 1.00737.35 N ATOM 21158 C2 G 01041 155.059 95.076 51.029 1.00737.35 C ATOM 21159 N2 G 01041 154.825 95.947 52.020 1.00737.35 N ATOM 21160 N3 G 01041 154.082 94.302 50.584 1.00737.35 N ATOM 21161 C4 G 01041 154.496 93.487 49.588 1.00737.35 C ATOM 21162 P G 01042 149.968 94.245 45.426 1.00737.35 P ATOM 21163 O1P G 01042 148.566 94.626 45.125 1.00737.35 O ATOM 21164 O2P G 01042 150.874 93.837 44.321 1.00737.35 O ATOM 21165 O5* G 01042 150.648 95.448 46.221 1.00737.35 O ATOM 21166 C5* G 01042 151.195 96.569 45.531 1.00737.35 C ATOM 21167 C4* G 01042 151.699 97.595 46.519 1.00737.35 C ATOM 21168 O4* G 01042 152.665 96.977 47.410 1.00737.35 O ATOM 21169 C3* G 01042 152.445 98.769 45.905 1.00737.35 C ATOM 21170 O3* G 01042 151.537 99.774 45.472 1.00737.35 O ATOM 21171 C2* G 01042 153.317 99.239 47.063 1.00737.35 C ATOM 21172 O2* G 01042 152.623 100.054 47.985 1.00737.35 O ATOM 21173 C1* G 01042 153.687 97.909 47.726 1.00737.35 C ATOM 21174 N9 G 01042 154.967 97.364 47.276 1.00737.35 N ATOM 21175 C8 G 01042 155.172 96.442 46.275 1.00737.35 C ATOM 21176 N7 G 01042 156.430 96.142 46.103 1.00737.35 N ATOM 21177 C5 G 01042 157.101 96.910 47.045 1.00737.35 C ATOM 21178 C6 G 01042 158.486 97.005 47.333 1.00737.35 C ATOM 21179 O6 G 01042 159.430 96.411 46.799 1.00737.35 O ATOM 21180 N1 G 01042 158.732 97.907 48.366 1.00737.35 N ATOM 21181 C2 G 01042 157.770 98.623 49.035 1.00737.35 C ATOM 21182 N2 G 01042 158.211 99.445 50.002 1.00737.35 N ATOM 21183 N3 G 01042 156.474 98.541 48.778 1.00737.35 N ATOM 21184 C4 G 01042 156.214 97.671 47.777 1.00737.35 C ATOM 21185 P A 01043 151.926 100.720 44.231 1.00737.35 P ATOM 21186 O1P A 01043 150.725 101.532 43.905 1.00737.35 O ATOM 21187 O2P A 01043 152.553 99.882 43.175 1.00737.35 O ATOM 21188 O5* A 01043 153.041 101.690 44.825 1.00737.35 O ATOM 21189 C5* A 01043 152.703 102.710 45.763 1.00737.35 C ATOM 21190 C4* A 01043 153.941 103.462 46.189 1.00737.35 C ATOM 21191 O4* A 01043 154.817 102.573 46.927 1.00737.35 O ATOM 21192 C3* A 01043 154.809 103.993 45.058 1.00737.35 C ATOM 21193 O3* A 01043 154.327 105.247 44.587 1.00737.35 O ATOM 21194 C2* A 01043 156.172 104.117 45.730 1.00737.35 C ATOM 21195 O2* A 01043 156.304 105.294 46.505 1.00737.35 O ATOM 21196 C1* A 01043 156.172 102.890 46.644 1.00737.35 C ATOM 21197 N9 A 01043 156.805 101.716 46.040 1.00737.35 N ATOM 21198 C8 A 01043 156.211 100.708 45.319 1.00737.35 C ATOM 21199 N7 A 01043 157.049 99.790 44.903 1.00737.35 N ATOM 21200 C5 A 01043 158.280 100.220 45.381 1.00737.35 C ATOM 21201 C6 A 01043 159.575 99.685 45.278 1.00737.35 C ATOM 21202 N6 A 01043 159.856 98.550 44.634 1.00737.35 N ATOM 21203 N1 A 01043 160.583 100.361 45.867 1.00737.35 N ATOM 21204 C2 A 01043 160.299 101.499 46.513 1.00737.35 C ATOM 21205 N3 A 01043 159.127 102.103 46.680 1.00737.35 N ATOM 21206 C4 A 01043 158.144 101.405 46.083 1.00737.35 C ATOM 21207 P U 01044 154.332 105.559 43.010 1.00737.35 P ATOM 21208 O1P U 01044 153.809 106.939 42.833 1.00737.35 O ATOM 21209 O2P U 01044 153.671 104.431 42.306 1.00737.35 O ATOM 21210 O5* U 01044 155.876 105.555 42.618 1.00737.35 O ATOM 21211 C5* U 01044 156.769 106.532 43.152 1.00737.35 C ATOM 21212 C4* U 01044 157.758 106.966 42.097 1.00737.35 C ATOM 21213 O4* U 01044 157.035 107.380 40.909 1.00737.35 O ATOM 21214 C3* U 01044 158.607 108.171 42.471 1.00737.35 C ATOM 21215 O3* U 01044 159.764 107.783 43.207 1.00737.35 O ATOM 21216 C2* U 01044 158.965 108.752 41.108 1.00737.35 C ATOM 21217 O2* U 01044 160.045 108.085 40.485 1.00737.35 O ATOM 21218 C1* U 01044 157.675 108.502 40.322 1.00737.35 C ATOM 21219 N1 U 01044 156.738 109.638 40.331 1.00737.35 N ATOM 21220 C2 U 01044 156.889 110.614 39.357 1.00737.35 C ATOM 21221 O2 U 01044 157.762 110.575 38.502 1.00737.35 O ATOM 21222 N3 U 01044 155.979 111.641 39.422 1.00737.35 N ATOM 21223 C4 U 01044 154.958 111.794 40.336 1.00737.35 C ATOM 21224 O4 U 01044 154.213 112.770 40.252 1.00737.35 O ATOM 21225 C5 U 01044 154.870 110.751 41.310 1.00737.35 C ATOM 21226 C6 U 01044 155.739 109.736 41.277 1.00737.35 C ATOM 21227 P G 01045 160.246 108.674 44.454 1.00737.35 P ATOM 21228 O1P G 01045 159.287 108.439 45.564 1.00737.35 O ATOM 21229 O2P G 01045 160.483 110.060 43.973 1.00737.35 O ATOM 21230 O5* G 01045 161.648 108.044 44.874 1.00737.35 O ATOM 21231 C5* G 01045 162.468 108.692 45.846 1.00737.35 C ATOM 21232 C4* G 01045 163.883 108.154 45.798 1.00737.35 C ATOM 21233 O4* G 01045 163.911 106.780 46.258 1.00737.35 O ATOM 21234 C3* G 01045 164.547 108.091 44.431 1.00737.35 C ATOM 21235 O3* G 01045 165.064 109.361 44.053 1.00737.35 O ATOM 21236 C2* G 01045 165.661 107.074 44.665 1.00737.35 C ATOM 21237 O2* G 01045 166.813 107.640 45.259 1.00737.35 O ATOM 21238 C1* G 01045 164.998 106.104 45.647 1.00737.35 C ATOM 21239 N9 G 01045 164.507 104.876 45.026 1.00737.35 N ATOM 21240 C8 G 01045 163.323 104.693 44.352 1.00737.35 C ATOM 21241 N7 G 01045 163.173 103.476 43.902 1.00737.35 N ATOM 21242 C5 G 01045 164.325 102.814 44.306 1.00737.35 C ATOM 21243 C6 G 01045 164.732 101.466 44.108 1.00737.35 C ATOM 21244 O6 G 01045 164.138 100.557 43.514 1.00737.35 O ATOM 21245 N1 G 01045 165.973 101.218 44.687 1.00737.35 N ATOM 21246 C2 G 01045 166.728 102.143 45.365 1.00737.35 C ATOM 21247 N2 G 01045 167.898 101.707 45.854 1.00737.35 N ATOM 21248 N3 G 01045 166.363 103.399 45.556 1.00737.35 N ATOM 21249 C4 G 01045 165.159 103.663 45.003 1.00737.35 C ATOM 21250 P U 01046 165.169 109.750 42.493 1.00737.35 P ATOM 21251 O1P U 01046 165.668 111.146 42.419 1.00737.35 O ATOM 21252 O2P U 01046 163.886 109.394 41.832 1.00737.35 O ATOM 21253 O5* U 01046 166.304 108.781 41.931 1.00737.35 O ATOM 21254 C5* U 01046 167.661 108.928 42.341 1.00737.35 C ATOM 21255 C4* U 01046 168.492 107.767 41.846 1.00737.35 C ATOM 21256 O4* U 01046 168.004 106.537 42.445 1.00737.35 O ATOM 21257 C3* U 01046 168.442 107.499 40.349 1.00737.35 C ATOM 21258 O3* U 01046 169.362 108.333 39.650 1.00737.35 O ATOM 21259 C2* U 01046 168.828 106.025 40.270 1.00737.35 C ATOM 21260 O2* U 01046 170.224 105.813 40.353 1.00737.35 O ATOM 21261 C1* U 01046 168.141 105.467 41.520 1.00737.35 C ATOM 21262 N1 U 01046 166.809 104.897 41.256 1.00737.35 N ATOM 21263 C2 U 01046 166.736 103.550 40.925 1.00737.35 C ATOM 21264 O2 U 01046 167.716 102.825 40.847 1.00737.35 O ATOM 21265 N3 U 01046 165.464 103.082 40.687 1.00737.35 N ATOM 21266 C4 U 01046 164.289 103.802 40.742 1.00737.35 C ATOM 21267 O4 U 01046 163.222 103.236 40.502 1.00737.35 O ATOM 21268 C5 U 01046 164.448 105.179 41.088 1.00737.35 C ATOM 21269 C6 U 01046 165.669 105.669 41.328 1.00737.35 C ATOM 21270 P G 01047 169.278 108.450 38.046 1.00737.35 P ATOM 21271 O1P G 01047 170.047 109.659 37.655 1.00737.35 O ATOM 21272 O2P G 01047 167.859 108.318 37.627 1.00737.35 O ATOM 21273 O5* G 01047 170.070 107.167 37.530 1.00737.35 O ATOM 21274 C5* G 01047 171.486 107.066 37.695 1.00737.35 C ATOM 21275 C4* G 01047 171.988 105.746 37.159 1.00737.35 C ATOM 21276 O4* G 01047 171.453 104.657 37.955 1.00737.35 O ATOM 21277 C3* G 01047 171.581 105.401 35.734 1.00737.35 C ATOM 21278 O3* G 01047 172.444 106.027 34.791 1.00737.35 O ATOM 21279 C2* G 01047 171.718 103.883 35.720 1.00737.35 C ATOM 21280 O2* G 01047 173.048 103.446 35.529 1.00737.35 O ATOM 21281 C1* G 01047 171.250 103.519 37.132 1.00737.35 C ATOM 21282 N9 G 01047 169.843 103.139 37.202 1.00737.35 N ATOM 21283 C8 G 01047 168.769 103.956 37.478 1.00737.35 C ATOM 21284 N7 G 01047 167.629 103.324 37.469 1.00737.35 N ATOM 21285 C5 G 01047 167.963 102.011 37.170 1.00737.35 C ATOM 21286 C6 G 01047 167.141 100.863 37.023 1.00737.35 C ATOM 21287 O6 G 01047 165.913 100.775 37.133 1.00737.35 O ATOM 21288 N1 G 01047 167.892 99.734 36.716 1.00737.35 N ATOM 21289 C2 G 01047 169.257 99.707 36.569 1.00737.35 C ATOM 21290 N2 G 01047 169.798 98.517 36.271 1.00737.35 N ATOM 21291 N3 G 01047 170.034 100.768 36.704 1.00737.35 N ATOM 21292 C4 G 01047 169.327 101.880 37.001 1.00737.35 C ATOM 21293 P U 01048 171.925 106.296 33.293 1.00737.35 P ATOM 21294 O1P U 01048 172.956 107.121 32.610 1.00737.35 O ATOM 21295 O2P U 01048 170.522 106.782 33.355 1.00737.35 O ATOM 21296 O5* U 01048 171.921 104.850 32.622 1.00737.35 O ATOM 21297 C5* U 01048 173.142 104.160 32.363 1.00737.35 C ATOM 21298 C4* U 01048 172.862 102.775 31.824 1.00737.35 C ATOM 21299 O4* U 01048 172.183 101.989 32.834 1.00737.35 O ATOM 21300 C3* U 01048 171.941 102.707 30.616 1.00737.35 C ATOM 21301 O3* U 01048 172.661 102.936 29.406 1.00737.35 O ATOM 21302 C2* U 01048 171.408 101.283 30.698 1.00737.35 C ATOM 21303 O2* U 01048 172.303 100.321 30.173 1.00737.35 O ATOM 21304 C1* U 01048 171.274 101.094 32.212 1.00737.35 C ATOM 21305 N1 U 01048 169.918 101.360 32.723 1.00737.35 N ATOM 21306 C2 U 01048 169.013 100.305 32.743 1.00737.35 C ATOM 21307 O2 U 01048 169.295 99.179 32.363 1.00737.35 O ATOM 21308 N3 U 01048 167.767 100.619 33.229 1.00737.35 N ATOM 21309 C4 U 01048 167.338 101.849 33.684 1.00737.35 C ATOM 21310 O4 U 01048 166.183 101.973 34.097 1.00737.35 O ATOM 21311 C5 U 01048 168.324 102.885 33.632 1.00737.35 C ATOM 21312 C6 U 01048 169.546 102.613 33.165 1.00737.35 C ATOM 21313 P C 01049 171.899 103.539 28.126 1.00737.35 P ATOM 21314 O1P C 01049 172.876 103.580 27.009 1.00737.35 O ATOM 21315 O2P C 01049 171.200 104.781 28.536 1.00737.35 O ATOM 21316 O5* C 01049 170.803 102.432 27.784 1.00737.35 O ATOM 21317 C5* C 01049 169.803 102.669 26.797 1.00737.35 C ATOM 21318 C4* C 01049 168.972 101.424 26.593 1.00737.35 C ATOM 21319 O4* C 01049 168.409 101.013 27.866 1.00737.35 O ATOM 21320 C3* C 01049 167.765 101.578 25.682 1.00737.35 C ATOM 21321 O3* C 01049 168.129 101.434 24.313 1.00737.35 O ATOM 21322 C2* C 01049 166.859 100.450 26.154 1.00737.35 C ATOM 21323 O2* C 01049 167.214 99.190 25.618 1.00737.35 O ATOM 21324 C1* C 01049 167.115 100.463 27.662 1.00737.35 C ATOM 21325 N1 C 01049 166.134 101.266 28.421 1.00737.35 N ATOM 21326 C2 C 01049 164.938 100.656 28.840 1.00737.35 C ATOM 21327 O2 C 01049 164.739 99.459 28.567 1.00737.35 O ATOM 21328 N3 C 01049 164.033 101.383 29.532 1.00737.35 N ATOM 21329 C4 C 01049 164.277 102.665 29.809 1.00737.35 C ATOM 21330 N4 C 01049 163.353 103.343 30.494 1.00737.35 N ATOM 21331 C5 C 01049 165.479 103.310 29.397 1.00737.35 C ATOM 21332 C6 C 01049 166.370 102.581 28.713 1.00737.35 C ATOM 21333 P G 01050 167.167 102.019 23.165 1.00737.35 P ATOM 21334 O1P G 01050 167.769 101.660 21.856 1.00737.35 O ATOM 21335 O2P G 01050 166.882 103.445 23.475 1.00737.35 O ATOM 21336 O5* G 01050 165.821 101.183 23.334 1.00737.35 O ATOM 21337 C5* G 01050 164.596 101.636 22.764 1.00737.35 C ATOM 21338 C4* G 01050 163.456 100.752 23.214 1.00737.35 C ATOM 21339 O4* G 01050 163.426 100.705 24.665 1.00737.35 O ATOM 21340 C3* G 01050 162.068 101.236 22.821 1.00737.35 C ATOM 21341 O3* G 01050 161.731 100.812 21.505 1.00737.35 O ATOM 21342 C2* G 01050 161.187 100.577 23.876 1.00737.35 C ATOM 21343 O2* G 01050 160.889 99.226 23.585 1.00737.35 O ATOM 21344 C1* G 01050 162.081 100.657 25.116 1.00737.35 C ATOM 21345 N9 G 01050 161.827 101.835 25.945 1.00737.35 N ATOM 21346 C8 G 01050 162.654 102.918 26.127 1.00737.35 C ATOM 21347 N7 G 01050 162.155 103.816 26.933 1.00737.35 N ATOM 21348 C5 G 01050 160.923 103.295 27.306 1.00737.35 C ATOM 21349 C6 G 01050 159.926 103.824 28.167 1.00737.35 C ATOM 21350 O6 G 01050 159.934 104.890 28.794 1.00737.35 O ATOM 21351 N1 G 01050 158.831 102.971 28.263 1.00737.35 N ATOM 21352 C2 G 01050 158.708 101.765 27.618 1.00737.35 C ATOM 21353 N2 G 01050 157.572 101.088 27.840 1.00737.35 N ATOM 21354 N3 G 01050 159.631 101.261 26.815 1.00737.35 N ATOM 21355 C4 G 01050 160.704 102.073 26.705 1.00737.35 C ATOM 21356 P U 01051 160.820 101.756 20.575 1.00737.35 P ATOM 21357 O1P U 01051 160.520 100.997 19.335 1.00737.35 O ATOM 21358 O2P U 01051 161.470 103.088 20.480 1.00737.35 O ATOM 21359 O5* U 01051 159.462 101.910 21.397 1.00737.35 O ATOM 21360 C5* U 01051 158.532 102.944 21.088 1.00737.35 C ATOM 21361 C4* U 01051 157.201 102.662 21.743 1.00737.35 C ATOM 21362 O4* U 01051 157.388 102.501 23.174 1.00737.35 O ATOM 21363 C3* U 01051 156.171 103.775 21.622 1.00737.35 C ATOM 21364 O3* U 01051 155.473 103.690 20.385 1.00737.35 O ATOM 21365 C2* U 01051 155.263 103.506 22.815 1.00737.35 C ATOM 21366 O2* U 01051 154.320 102.481 22.578 1.00737.35 O ATOM 21367 C1* U 01051 156.275 103.046 23.868 1.00737.35 C ATOM 21368 N1 U 01051 156.751 104.131 24.743 1.00737.35 N ATOM 21369 C2 U 01051 156.003 104.428 25.875 1.00737.35 C ATOM 21370 O2 U 01051 154.980 103.833 26.174 1.00737.35 O ATOM 21371 N3 U 01051 156.501 105.450 26.647 1.00737.35 N ATOM 21372 C4 U 01051 157.642 106.191 26.410 1.00737.35 C ATOM 21373 O4 U 01051 157.961 107.081 27.198 1.00737.35 O ATOM 21374 C5 U 01051 158.354 105.827 25.225 1.00737.35 C ATOM 21375 C6 U 01051 157.898 104.837 24.453 1.00737.35 C ATOM 21376 P C 01052 154.947 105.034 19.675 1.00737.35 P ATOM 21377 O1P C 01052 154.360 104.643 18.367 1.00737.35 O ATOM 21378 O2P C 01052 156.033 106.046 19.715 1.00737.35 O ATOM 21379 O5* C 01052 153.769 105.534 20.627 1.00737.35 O ATOM 21380 C5* C 01052 152.514 104.857 20.656 1.00737.35 C ATOM 21381 C4* C 01052 151.541 105.591 21.551 1.00737.35 C ATOM 21382 O4* C 01052 151.997 105.520 22.928 1.00737.35 O ATOM 21383 C3* C 01052 151.391 107.078 21.280 1.00737.35 C ATOM 21384 O3* C 01052 150.471 107.315 20.219 1.00737.35 O ATOM 21385 C2* C 01052 150.880 107.598 22.619 1.00737.35 C ATOM 21386 O2* C 01052 149.491 107.401 22.800 1.00737.35 O ATOM 21387 C1* C 01052 151.662 106.723 23.602 1.00737.35 C ATOM 21388 N1 C 01052 152.906 107.352 24.097 1.00737.35 N ATOM 21389 C2 C 01052 152.855 108.142 25.258 1.00737.35 C ATOM 21390 O2 C 01052 151.768 108.292 25.844 1.00737.35 O ATOM 21391 N3 C 01052 153.988 108.720 25.713 1.00737.35 N ATOM 21392 C4 C 01052 155.139 108.538 25.062 1.00737.35 C ATOM 21393 N4 C 01052 156.233 109.130 25.548 1.00737.35 N ATOM 21394 C5 C 01052 155.222 107.743 23.882 1.00737.35 C ATOM 21395 C6 C 01052 154.092 107.173 23.439 1.00737.35 C ATOM 21396 P G 01053 150.747 108.507 19.173 1.00737.35 P ATOM 21397 O1P G 01053 149.976 108.194 17.943 1.00737.35 O ATOM 21398 O2P G 01053 152.213 108.730 19.078 1.00737.35 O ATOM 21399 O5* G 01053 150.100 109.787 19.867 1.00737.35 O ATOM 21400 C5* G 01053 148.725 110.115 19.670 1.00737.35 C ATOM 21401 C4* G 01053 148.350 111.333 20.483 1.00737.35 C ATOM 21402 O4* G 01053 148.451 111.018 21.896 1.00737.35 O ATOM 21403 C3* G 01053 149.241 112.552 20.309 1.00737.35 C ATOM 21404 O3* G 01053 148.862 113.314 19.165 1.00737.35 O ATOM 21405 C2* G 01053 148.997 113.315 21.604 1.00737.35 C ATOM 21406 O2* G 01053 147.803 114.072 21.589 1.00737.35 O ATOM 21407 C1* G 01053 148.875 112.169 22.613 1.00737.35 C ATOM 21408 N9 G 01053 150.131 111.861 23.288 1.00737.35 N ATOM 21409 C8 G 01053 151.125 111.011 22.854 1.00737.35 C ATOM 21410 N7 G 01053 152.136 110.943 23.674 1.00737.35 N ATOM 21411 C5 G 01053 151.796 111.798 24.714 1.00737.35 C ATOM 21412 C6 G 01053 152.505 112.137 25.895 1.00737.35 C ATOM 21413 O6 G 01053 153.615 111.736 26.270 1.00737.35 O ATOM 21414 N1 G 01053 151.792 113.040 26.676 1.00737.35 N ATOM 21415 C2 G 01053 150.558 113.554 26.365 1.00737.35 C ATOM 21416 N2 G 01053 150.034 114.414 27.251 1.00737.35 N ATOM 21417 N3 G 01053 149.886 113.249 25.267 1.00737.35 N ATOM 21418 C4 G 01053 150.560 112.370 24.493 1.00737.35 C ATOM 21419 P C 01054 149.945 114.260 18.443 1.00737.35 P ATOM 21420 O1P C 01054 149.213 115.094 17.454 1.00737.35 O ATOM 21421 O2P C 01054 151.082 113.415 17.992 1.00737.35 O ATOM 21422 O5* C 01054 150.460 115.211 19.613 1.00737.35 O ATOM 21423 C5* C 01054 151.310 116.323 19.342 1.00737.35 C ATOM 21424 C4* C 01054 151.530 117.123 20.604 1.00737.35 C ATOM 21425 O4* C 01054 152.144 116.272 21.606 1.00737.35 O ATOM 21426 C3* C 01054 152.482 118.305 20.488 1.00737.35 C ATOM 21427 O3* C 01054 151.793 119.453 20.002 1.00737.35 O ATOM 21428 C2* C 01054 152.929 118.494 21.935 1.00737.35 C ATOM 21429 O2* C 01054 151.998 119.223 22.712 1.00737.35 O ATOM 21430 C1* C 01054 152.995 117.049 22.434 1.00737.35 C ATOM 21431 N1 C 01054 154.354 116.474 22.404 1.00737.35 N ATOM 21432 C2 C 01054 155.156 116.574 23.553 1.00737.35 C ATOM 21433 O2 C 01054 154.698 117.131 24.566 1.00737.35 O ATOM 21434 N3 C 01054 156.409 116.063 23.534 1.00737.35 N ATOM 21435 C4 C 01054 156.869 115.469 22.431 1.00737.35 C ATOM 21436 N4 C 01054 158.114 114.985 22.456 1.00737.35 N ATOM 21437 C5 C 01054 156.076 115.347 21.251 1.00737.35 C ATOM 21438 C6 C 01054 154.838 115.857 21.282 1.00737.35 C ATOM 21439 P A 01055 152.437 120.336 18.818 1.00737.35 P ATOM 21440 O1P A 01055 151.436 121.366 18.444 1.00737.35 O ATOM 21441 O2P A 01055 152.966 119.416 17.778 1.00737.35 O ATOM 21442 O5* A 01055 153.671 121.088 19.492 1.00737.35 O ATOM 21443 C5* A 01055 153.659 121.446 20.873 1.00737.35 C ATOM 21444 C4* A 01055 154.142 122.865 21.056 1.00737.35 C ATOM 21445 O4* A 01055 154.200 123.156 22.477 1.00737.35 O ATOM 21446 C3* A 01055 155.547 123.146 20.547 1.00737.35 C ATOM 21447 O3* A 01055 155.495 123.528 19.177 1.00737.35 O ATOM 21448 C2* A 01055 155.990 124.316 21.420 1.00737.35 C ATOM 21449 O2* A 01055 155.524 125.567 20.954 1.00737.35 O ATOM 21450 C1* A 01055 155.320 123.978 22.753 1.00737.35 C ATOM 21451 N9 A 01055 156.186 123.271 23.699 1.00737.35 N ATOM 21452 C8 A 01055 156.660 121.985 23.616 1.00737.35 C ATOM 21453 N7 A 01055 157.415 121.636 24.628 1.00737.35 N ATOM 21454 C5 A 01055 157.442 122.765 25.433 1.00737.35 C ATOM 21455 C6 A 01055 158.069 123.039 26.661 1.00737.35 C ATOM 21456 N6 A 01055 158.818 122.153 27.322 1.00737.35 N ATOM 21457 N1 A 01055 157.896 124.268 27.194 1.00737.35 N ATOM 21458 C2 A 01055 157.142 125.153 26.532 1.00737.35 C ATOM 21459 N3 A 01055 156.499 125.015 25.375 1.00737.35 N ATOM 21460 C4 A 01055 156.691 123.783 24.869 1.00737.35 C ATOM 21461 P U 01056 156.587 122.967 18.140 1.00737.35 P ATOM 21462 O1P U 01056 156.086 121.664 17.634 1.00737.35 O ATOM 21463 O2P U 01056 157.930 123.042 18.774 1.00737.35 O ATOM 21464 O5* U 01056 156.528 124.016 16.943 1.00737.35 O ATOM 21465 C5* U 01056 157.209 125.266 17.030 1.00737.35 C ATOM 21466 C4* U 01056 156.304 126.322 17.624 1.00737.35 C ATOM 21467 O4* U 01056 157.070 127.539 17.827 1.00737.35 O ATOM 21468 C3* U 01056 155.122 126.753 16.768 1.00737.35 C ATOM 21469 O3* U 01056 154.002 125.893 16.961 1.00737.35 O ATOM 21470 C2* U 01056 154.833 128.155 17.295 1.00737.35 C ATOM 21471 O2* U 01056 154.061 128.155 18.479 1.00737.35 O ATOM 21472 C1* U 01056 156.244 128.668 17.598 1.00737.35 C ATOM 21473 N1 U 01056 156.831 129.472 16.512 1.00737.35 N ATOM 21474 C2 U 01056 156.572 130.836 16.502 1.00737.35 C ATOM 21475 O2 U 01056 155.885 131.392 17.346 1.00737.35 O ATOM 21476 N3 U 01056 157.149 131.527 15.465 1.00737.35 N ATOM 21477 C4 U 01056 157.940 131.012 14.459 1.00737.35 C ATOM 21478 O4 U 01056 158.388 131.768 13.595 1.00737.35 O ATOM 21479 C5 U 01056 158.161 129.601 14.537 1.00737.35 C ATOM 21480 C6 U 01056 157.613 128.898 15.532 1.00737.35 C ATOM 21481 P A 01057 152.954 125.661 15.762 1.00737.35 P ATOM 21482 O1P A 01057 153.370 124.422 15.056 1.00737.35 O ATOM 21483 O2P A 01057 152.822 126.929 14.995 1.00737.35 O ATOM 21484 O5* A 01057 151.568 125.393 16.505 1.00737.35 O ATOM 21485 C5* A 01057 150.866 124.161 16.341 1.00737.35 C ATOM 21486 C4* A 01057 149.380 124.419 16.212 1.00737.35 C ATOM 21487 O4* A 01057 148.702 123.166 15.930 1.00737.35 O ATOM 21488 C3* A 01057 148.686 124.948 17.460 1.00737.35 C ATOM 21489 O3* A 01057 148.804 126.366 17.562 1.00737.35 O ATOM 21490 C2* A 01057 147.243 124.516 17.232 1.00737.35 C ATOM 21491 O2* A 01057 146.533 125.377 16.364 1.00737.35 O ATOM 21492 C1* A 01057 147.436 123.149 16.570 1.00737.35 C ATOM 21493 N9 A 01057 147.404 122.032 17.517 1.00737.35 N ATOM 21494 C8 A 01057 148.460 121.275 17.969 1.00737.35 C ATOM 21495 N7 A 01057 148.115 120.340 18.819 1.00737.35 N ATOM 21496 C5 A 01057 146.742 120.491 18.940 1.00737.35 C ATOM 21497 C6 A 01057 145.778 119.800 19.697 1.00737.35 C ATOM 21498 N6 A 01057 146.065 118.780 20.510 1.00737.35 N ATOM 21499 N1 A 01057 144.491 120.199 19.590 1.00737.35 N ATOM 21500 C2 A 01057 144.204 121.222 18.776 1.00737.35 C ATOM 21501 N3 A 01057 145.018 121.949 18.016 1.00737.35 N ATOM 21502 C4 A 01057 146.290 121.527 18.143 1.00737.35 C ATOM 21503 P G 01058 148.562 127.092 18.981 1.00737.35 P ATOM 21504 O1P G 01058 147.398 126.446 19.636 1.00737.35 O ATOM 21505 O2P G 01058 148.547 128.557 18.741 1.00737.35 O ATOM 21506 O5* G 01058 149.866 126.749 19.834 1.00737.35 O ATOM 21507 C5* G 01058 150.210 125.400 20.148 1.00737.35 C ATOM 21508 C4* G 01058 151.238 125.363 21.255 1.00737.35 C ATOM 21509 O4* G 01058 152.409 126.111 20.837 1.00737.35 O ATOM 21510 C3* G 01058 150.821 126.008 22.569 1.00737.35 C ATOM 21511 O3* G 01058 150.086 125.072 23.358 1.00737.35 O ATOM 21512 C2* G 01058 152.166 126.371 23.192 1.00737.35 C ATOM 21513 O2* G 01058 152.790 125.279 23.840 1.00737.35 O ATOM 21514 C1* G 01058 152.975 126.773 21.955 1.00737.35 C ATOM 21515 N9 G 01058 152.978 128.209 21.680 1.00737.35 N ATOM 21516 C8 G 01058 151.894 129.003 21.386 1.00737.35 C ATOM 21517 N7 G 01058 152.212 130.251 21.185 1.00737.35 N ATOM 21518 C5 G 01058 153.588 130.287 21.355 1.00737.35 C ATOM 21519 C6 G 01058 154.500 131.373 21.258 1.00737.35 C ATOM 21520 O6 G 01058 154.262 132.557 20.994 1.00737.35 O ATOM 21521 N1 G 01058 155.805 130.968 21.504 1.00737.35 N ATOM 21522 C2 G 01058 156.192 129.684 21.805 1.00737.35 C ATOM 21523 N2 G 01058 157.503 129.492 22.008 1.00737.35 N ATOM 21524 N3 G 01058 155.355 128.664 21.898 1.00737.35 N ATOM 21525 C4 G 01058 154.079 129.035 21.663 1.00737.35 C ATOM 21526 P A 01059 149.531 125.498 24.807 1.00737.35 P ATOM 21527 O1P A 01059 148.160 124.934 24.923 1.00737.35 O ATOM 21528 O2P A 01059 149.743 126.954 25.013 1.00737.35 O ATOM 21529 O5* A 01059 150.490 124.711 25.809 1.00737.35 O ATOM 21530 C5* A 01059 149.964 123.894 26.853 1.00737.35 C ATOM 21531 C4* A 01059 150.145 122.434 26.511 1.00737.35 C ATOM 21532 O4* A 01059 151.540 122.174 26.212 1.00737.35 O ATOM 21533 C3* A 01059 149.808 121.453 27.624 1.00737.35 C ATOM 21534 O3* A 01059 148.412 121.174 27.651 1.00737.35 O ATOM 21535 C2* A 01059 150.622 120.226 27.227 1.00737.35 C ATOM 21536 O2* A 01059 149.991 119.435 26.237 1.00737.35 O ATOM 21537 C1* A 01059 151.884 120.868 26.646 1.00737.35 C ATOM 21538 N9 A 01059 152.987 120.971 27.605 1.00737.35 N ATOM 21539 C8 A 01059 153.369 122.064 28.348 1.00737.35 C ATOM 21540 N7 A 01059 154.406 121.844 29.117 1.00737.35 N ATOM 21541 C5 A 01059 154.731 120.517 28.866 1.00737.35 C ATOM 21542 C6 A 01059 155.741 119.679 29.373 1.00737.35 C ATOM 21543 N6 A 01059 156.648 120.071 30.270 1.00737.35 N ATOM 21544 N1 A 01059 155.790 118.408 28.919 1.00737.35 N ATOM 21545 C2 A 01059 154.880 118.016 28.016 1.00737.35 C ATOM 21546 N3 A 01059 153.886 118.709 27.467 1.00737.35 N ATOM 21547 C4 A 01059 153.866 119.968 27.939 1.00737.35 C ATOM 21548 P C 01060 147.653 121.040 29.061 1.00737.35 P ATOM 21549 O1P C 01060 146.216 120.813 28.760 1.00737.35 O ATOM 21550 O2P C 01060 148.047 122.190 29.916 1.00737.35 O ATOM 21551 O5* C 01060 148.262 119.714 29.705 1.00737.35 O ATOM 21552 C5* C 01060 147.529 118.490 29.703 1.00737.35 C ATOM 21553 C4* C 01060 147.947 117.626 30.871 1.00737.35 C ATOM 21554 O4* C 01060 149.323 117.200 30.691 1.00737.35 O ATOM 21555 C3* C 01060 147.938 118.305 32.231 1.00737.35 C ATOM 21556 O3* C 01060 146.636 118.301 32.806 1.00737.35 O ATOM 21557 C2* C 01060 148.920 117.450 33.024 1.00737.35 C ATOM 21558 O2* C 01060 148.349 116.254 33.514 1.00737.35 O ATOM 21559 C1* C 01060 149.969 117.126 31.955 1.00737.35 C ATOM 21560 N1 C 01060 151.115 118.061 31.957 1.00737.35 N ATOM 21561 C2 C 01060 152.211 117.788 32.794 1.00737.35 C ATOM 21562 O2 C 01060 152.196 116.769 33.503 1.00737.35 O ATOM 21563 N3 C 01060 153.260 118.643 32.804 1.00737.35 N ATOM 21564 C4 C 01060 153.245 119.729 32.031 1.00737.35 C ATOM 21565 N4 C 01060 154.300 120.545 32.076 1.00737.35 N ATOM 21566 C5 C 01060 152.148 120.029 31.171 1.00737.35 C ATOM 21567 C6 C 01060 151.116 119.176 31.167 1.00737.35 C ATOM 21568 P A 01061 146.118 119.593 33.611 1.00737.35 P ATOM 21569 O1P A 01061 144.713 119.346 34.024 1.00737.35 O ATOM 21570 O2P A 01061 146.443 120.791 32.796 1.00737.35 O ATOM 21571 O5* A 01061 147.033 119.625 34.917 1.00737.35 O ATOM 21572 C5* A 01061 146.778 118.749 36.011 1.00737.35 C ATOM 21573 C4* A 01061 147.718 119.047 37.160 1.00737.35 C ATOM 21574 O4* A 01061 149.078 118.728 36.771 1.00737.35 O ATOM 21575 C3* A 01061 147.792 120.499 37.605 1.00737.35 C ATOM 21576 O3* A 01061 146.728 120.826 38.493 1.00737.35 O ATOM 21577 C2* A 01061 149.146 120.546 38.306 1.00737.35 C ATOM 21578 O2* A 01061 149.104 120.053 39.630 1.00737.35 O ATOM 21579 C1* A 01061 149.978 119.609 37.429 1.00737.35 C ATOM 21580 N9 A 01061 150.768 120.315 36.417 1.00737.35 N ATOM 21581 C8 A 01061 150.396 120.672 35.144 1.00737.35 C ATOM 21582 N7 A 01061 151.331 121.310 34.482 1.00737.35 N ATOM 21583 C5 A 01061 152.389 121.376 35.375 1.00737.35 C ATOM 21584 C6 A 01061 153.678 121.928 35.277 1.00737.35 C ATOM 21585 N6 A 01061 154.137 122.554 34.190 1.00737.35 N ATOM 21586 N1 A 01061 154.490 121.822 36.352 1.00737.35 N ATOM 21587 C2 A 01061 154.030 121.201 37.444 1.00737.35 C ATOM 21588 N3 A 01061 152.840 120.641 37.657 1.00737.35 N ATOM 21589 C4 A 01061 152.059 120.763 36.572 1.00737.35 C ATOM 21590 P G 01062 146.059 122.289 38.428 1.00737.35 P ATOM 21591 O1P G 01062 145.075 122.399 39.533 1.00737.35 O ATOM 21592 O2P G 01062 145.616 122.516 37.027 1.00737.35 O ATOM 21593 O5* G 01062 147.269 123.282 38.729 1.00737.35 O ATOM 21594 C5* G 01062 147.920 123.282 39.997 1.00737.35 C ATOM 21595 C4* G 01062 148.682 124.571 40.200 1.00737.35 C ATOM 21596 O4* G 01062 149.759 124.659 39.230 1.00737.35 O ATOM 21597 C3* G 01062 147.886 125.849 39.987 1.00737.35 C ATOM 21598 O3* G 01062 147.148 126.191 41.156 1.00737.35 O ATOM 21599 C2* G 01062 148.981 126.865 39.680 1.00737.35 C ATOM 21600 O2* G 01062 149.620 127.359 40.842 1.00737.35 O ATOM 21601 C1* G 01062 149.965 126.018 38.870 1.00737.35 C ATOM 21602 N9 G 01062 149.799 126.142 37.424 1.00737.35 N ATOM 21603 C8 G 01062 148.869 125.512 36.632 1.00737.35 C ATOM 21604 N7 G 01062 148.970 125.827 35.370 1.00737.35 N ATOM 21605 C5 G 01062 150.033 126.719 35.322 1.00737.35 C ATOM 21606 C6 G 01062 150.612 127.402 34.219 1.00737.35 C ATOM 21607 O6 G 01062 150.291 127.351 33.025 1.00737.35 O ATOM 21608 N1 G 01062 151.670 128.211 34.618 1.00737.35 N ATOM 21609 C2 G 01062 152.116 128.349 35.909 1.00737.35 C ATOM 21610 N2 G 01062 153.152 129.180 36.090 1.00737.35 N ATOM 21611 N3 G 01062 151.587 127.721 36.946 1.00737.35 N ATOM 21612 C4 G 01062 150.555 126.928 36.583 1.00737.35 C ATOM 21613 P C 01063 144.890 126.181 41.907 1.00936.33 P ATOM 21614 O1P C 01063 144.541 126.105 43.350 1.00936.33 O ATOM 21615 O2P C 01063 144.195 125.287 40.940 1.00936.33 O ATOM 21616 O5* C 01063 144.722 127.691 41.429 1.00936.33 O ATOM 21617 C5* C 01063 145.320 128.771 42.168 1.00936.33 C ATOM 21618 C4* C 01063 145.316 130.037 41.340 1.00936.33 C ATOM 21619 O4* C 01063 146.167 129.857 40.175 1.00936.33 O ATOM 21620 C3* C 01063 143.972 130.431 40.750 1.00936.33 C ATOM 21621 O3* C 01063 143.128 131.095 41.681 1.00936.33 O ATOM 21622 C2* C 01063 144.389 131.308 39.583 1.00936.33 C ATOM 21623 O2* C 01063 144.793 132.602 39.986 1.00936.33 O ATOM 21624 C1* C 01063 145.598 130.532 39.058 1.00936.33 C ATOM 21625 N1 C 01063 145.217 129.521 38.046 1.00936.33 N ATOM 21626 C2 C 01063 145.155 129.898 36.688 1.00936.33 C ATOM 21627 O2 C 01063 145.428 131.071 36.365 1.00936.33 O ATOM 21628 N3 C 01063 144.800 128.970 35.763 1.00936.33 N ATOM 21629 C4 C 01063 144.511 127.722 36.143 1.00936.33 C ATOM 21630 N4 C 01063 144.164 126.846 35.197 1.00936.33 N ATOM 21631 C5 C 01063 144.563 127.315 37.510 1.00936.33 C ATOM 21632 C6 C 01063 144.917 128.236 38.416 1.00936.33 C ATOM 21633 P C 01064 141.533 130.930 41.564 1.00936.33 P ATOM 21634 O1P C 01064 140.931 131.583 42.754 1.00936.33 O ATOM 21635 O2P C 01064 141.218 129.502 41.271 1.00936.33 O ATOM 21636 O5* C 01064 141.156 131.797 40.283 1.00936.33 O ATOM 21637 C5* C 01064 141.381 133.221 40.264 1.00936.33 C ATOM 21638 C4* C 01064 140.886 133.813 38.962 1.00936.33 C ATOM 21639 O4* C 01064 141.766 133.434 37.867 1.00936.33 O ATOM 21640 C3* C 01064 139.522 133.332 38.502 1.00936.33 C ATOM 21641 O3* C 01064 138.439 133.948 39.187 1.00936.33 O ATOM 21642 C2* C 01064 139.564 133.653 37.016 1.00936.33 C ATOM 21643 O2* C 01064 139.374 135.028 36.746 1.00936.33 O ATOM 21644 C1* C 01064 141.002 133.254 36.681 1.00936.33 C ATOM 21645 N1 C 01064 141.086 131.836 36.271 1.00936.33 N ATOM 21646 C2 C 01064 140.826 131.502 34.932 1.00936.33 C ATOM 21647 O2 C 01064 140.552 132.404 34.125 1.00936.33 O ATOM 21648 N3 C 01064 140.870 130.205 34.552 1.00936.33 N ATOM 21649 C4 C 01064 141.161 129.255 35.448 1.00936.33 C ATOM 21650 N4 C 01064 141.174 127.986 35.034 1.00936.33 N ATOM 21651 C5 C 01064 141.441 129.567 36.809 1.00936.33 C ATOM 21652 C6 C 01064 141.396 130.856 37.172 1.00936.33 C ATOM 21653 P A 01065 137.077 133.121 39.401 1.00936.33 P ATOM 21654 O1P A 01065 136.202 133.947 40.274 1.00936.33 O ATOM 21655 O2P A 01065 137.409 131.725 39.800 1.00936.33 O ATOM 21656 O5* A 01065 136.437 133.083 37.945 1.00936.33 O ATOM 21657 C5* A 01065 136.162 134.307 37.235 1.00936.33 C ATOM 21658 C4* A 01065 135.763 134.015 35.807 1.00936.33 C ATOM 21659 O4* A 01065 136.906 133.511 35.055 1.00936.33 O ATOM 21660 C3* A 01065 134.724 132.926 35.613 1.00936.33 C ATOM 21661 O3* A 01065 133.399 133.329 35.910 1.00936.33 O ATOM 21662 C2* A 01065 134.929 132.569 34.150 1.00936.33 C ATOM 21663 O2* A 01065 134.371 133.514 33.259 1.00936.33 O ATOM 21664 C1* A 01065 136.454 132.604 34.058 1.00936.33 C ATOM 21665 N9 A 01065 136.995 131.274 34.344 1.00936.33 N ATOM 21666 C8 A 01065 137.704 130.842 35.436 1.00936.33 C ATOM 21667 N7 A 01065 138.059 129.580 35.367 1.00936.33 N ATOM 21668 C5 A 01065 137.542 129.150 34.151 1.00936.33 C ATOM 21669 C6 A 01065 137.571 127.904 33.482 1.00936.33 C ATOM 21670 N6 A 01065 138.185 126.814 33.958 1.00936.33 N ATOM 21671 N1 A 01065 136.944 127.819 32.289 1.00936.33 N ATOM 21672 C2 A 01065 136.344 128.907 31.803 1.00936.33 C ATOM 21673 N3 A 01065 136.249 130.124 32.327 1.00936.33 N ATOM 21674 C4 A 01065 136.877 130.184 33.514 1.00936.33 C ATOM 21675 P G 01066 132.324 132.219 36.358 1.00936.33 P ATOM 21676 O1P G 01066 131.042 132.912 36.649 1.00936.33 O ATOM 21677 O2P G 01066 132.944 131.351 37.394 1.00936.33 O ATOM 21678 O5* G 01066 132.132 131.335 35.045 1.00936.33 O ATOM 21679 C5* G 01066 131.744 131.944 33.797 1.00936.33 C ATOM 21680 C4* G 01066 131.608 130.896 32.718 1.00936.33 C ATOM 21681 O4* G 01066 132.903 130.309 32.428 1.00936.33 O ATOM 21682 C3* G 01066 130.737 129.698 33.067 1.00936.33 C ATOM 21683 O3* G 01066 129.351 129.982 32.923 1.00936.33 O ATOM 21684 C2* G 01066 131.229 128.657 32.075 1.00936.33 C ATOM 21685 O2* G 01066 130.714 128.854 30.772 1.00936.33 O ATOM 21686 C1* G 01066 132.735 128.942 32.074 1.00936.33 C ATOM 21687 N9 G 01066 133.443 128.116 33.044 1.00936.33 N ATOM 21688 C8 G 01066 133.942 128.500 34.265 1.00936.33 C ATOM 21689 N7 G 01066 134.520 127.526 34.914 1.00936.33 N ATOM 21690 C5 G 01066 134.397 126.431 34.068 1.00936.33 C ATOM 21691 C6 G 01066 134.839 125.092 34.228 1.00936.33 C ATOM 21692 O6 G 01066 135.455 124.590 35.178 1.00936.33 O ATOM 21693 N1 G 01066 134.504 124.307 33.128 1.00936.33 N ATOM 21694 C2 G 01066 133.835 124.756 32.014 1.00936.33 C ATOM 21695 N2 G 01066 133.609 123.848 31.057 1.00936.33 N ATOM 21696 N3 G 01066 133.422 126.001 31.852 1.00936.33 N ATOM 21697 C4 G 01066 133.735 126.779 32.910 1.00936.33 C ATOM 21698 P G 01067 128.270 129.095 33.719 1.00936.33 P ATOM 21699 O1P G 01067 126.930 129.649 33.385 1.00936.33 O ATOM 21700 O2P G 01067 128.681 128.976 35.142 1.00936.33 O ATOM 21701 O5* G 01067 128.391 127.653 33.057 1.00936.33 O ATOM 21702 C5* G 01067 127.737 126.533 33.652 1.00936.33 C ATOM 21703 C4* G 01067 128.419 125.252 33.258 1.00936.33 C ATOM 21704 O4* G 01067 129.853 125.456 33.217 1.00936.33 O ATOM 21705 C3* G 01067 128.185 124.148 34.272 1.00936.33 C ATOM 21706 O3* G 01067 126.990 123.422 33.981 1.00936.33 O ATOM 21707 C2* G 01067 129.459 123.316 34.179 1.00936.33 C ATOM 21708 O2* G 01067 129.430 122.377 33.123 1.00936.33 O ATOM 21709 C1* G 01067 130.509 124.398 33.891 1.00936.33 C ATOM 21710 N9 G 01067 131.182 124.974 35.056 1.00936.33 N ATOM 21711 C8 G 01067 131.022 126.252 35.547 1.00936.33 C ATOM 21712 N7 G 01067 131.773 126.504 36.583 1.00936.33 N ATOM 21713 C5 G 01067 132.470 125.323 36.798 1.00936.33 C ATOM 21714 C6 G 01067 133.436 124.996 37.786 1.00936.33 C ATOM 21715 O6 G 01067 133.882 125.709 38.692 1.00936.33 O ATOM 21716 N1 G 01067 133.888 123.690 37.645 1.00936.33 N ATOM 21717 C2 G 01067 133.469 122.809 36.678 1.00936.33 C ATOM 21718 N2 G 01067 134.026 121.588 36.707 1.00936.33 N ATOM 21719 N3 G 01067 132.571 123.102 35.749 1.00936.33 N ATOM 21720 C4 G 01067 132.116 124.367 35.869 1.00936.33 C ATOM 21721 P A 01068 125.604 123.833 34.695 1.00936.33 P ATOM 21722 O1P A 01068 125.928 124.712 35.852 1.00936.33 O ATOM 21723 O2P A 01068 124.808 122.597 34.912 1.00936.33 O ATOM 21724 O5* A 01068 124.840 124.720 33.610 1.00936.33 O ATOM 21725 C5* A 01068 124.759 126.153 33.730 1.00936.33 C ATOM 21726 C4* A 01068 124.128 126.748 32.492 1.00936.33 C ATOM 21727 O4* A 01068 124.969 126.500 31.326 1.00936.33 O ATOM 21728 C3* A 01068 122.781 126.164 32.111 1.00936.33 C ATOM 21729 O3* A 01068 121.709 126.710 32.866 1.00936.33 O ATOM 21730 C2* A 01068 122.732 126.458 30.615 1.00936.33 C ATOM 21731 O2* A 01068 122.512 127.828 30.328 1.00936.33 O ATOM 21732 C1* A 01068 124.164 126.090 30.225 1.00936.33 C ATOM 21733 N9 A 01068 124.315 124.637 30.063 1.00936.33 N ATOM 21734 C8 A 01068 125.017 123.778 30.882 1.00936.33 C ATOM 21735 N7 A 01068 124.956 122.523 30.512 1.00936.33 N ATOM 21736 C5 A 01068 124.169 122.548 29.370 1.00936.33 C ATOM 21737 C6 A 01068 123.731 121.530 28.503 1.00936.33 C ATOM 21738 N6 A 01068 124.035 120.237 28.661 1.00936.33 N ATOM 21739 N1 A 01068 122.962 121.890 27.452 1.00936.33 N ATOM 21740 C2 A 01068 122.657 123.184 27.295 1.00936.33 C ATOM 21741 N3 A 01068 123.005 124.232 28.042 1.00936.33 N ATOM 21742 C4 A 01068 123.772 123.845 29.075 1.00936.33 C ATOM 21743 P G 01069 120.776 125.728 33.743 1.00936.33 P ATOM 21744 O1P G 01069 121.047 126.039 35.169 1.00936.33 O ATOM 21745 O2P G 01069 120.917 124.323 33.262 1.00936.33 O ATOM 21746 O5* G 01069 119.303 126.240 33.422 1.00936.33 O ATOM 21747 C5* G 01069 118.323 125.365 32.834 1.00936.33 C ATOM 21748 C4* G 01069 118.234 125.608 31.348 1.00936.33 C ATOM 21749 O4* G 01069 119.506 125.269 30.729 1.00936.33 O ATOM 21750 C3* G 01069 117.226 124.738 30.617 1.00936.33 C ATOM 21751 O3* G 01069 115.916 125.283 30.707 1.00936.33 O ATOM 21752 C2* G 01069 117.781 124.724 29.199 1.00936.33 C ATOM 21753 O2* G 01069 117.524 125.922 28.489 1.00936.33 O ATOM 21754 C1* G 01069 119.284 124.641 29.477 1.00936.33 C ATOM 21755 N9 G 01069 119.799 123.275 29.560 1.00936.33 N ATOM 21756 C8 G 01069 120.656 122.774 30.514 1.00936.33 C ATOM 21757 N7 G 01069 120.947 121.517 30.333 1.00936.33 N ATOM 21758 C5 G 01069 120.244 121.162 29.191 1.00936.33 C ATOM 21759 C6 G 01069 120.177 119.926 28.507 1.00936.33 C ATOM 21760 O6 G 01069 120.749 118.866 28.780 1.00936.33 O ATOM 21761 N1 G 01069 119.338 119.998 27.398 1.00936.33 N ATOM 21762 C2 G 01069 118.661 121.121 26.996 1.00936.33 C ATOM 21763 N2 G 01069 117.896 120.991 25.904 1.00936.33 N ATOM 21764 N3 G 01069 118.723 122.286 27.620 1.00936.33 N ATOM 21765 C4 G 01069 119.528 122.233 28.703 1.00936.33 C ATOM 21766 P G 01070 114.788 124.491 31.531 1.00936.33 P ATOM 21767 O1P G 01070 113.681 125.449 31.770 1.00936.33 O ATOM 21768 O2P G 01070 115.453 123.831 32.687 1.00936.33 O ATOM 21769 O5* G 01070 114.288 123.354 30.529 1.00936.33 O ATOM 21770 C5* G 01070 113.369 123.655 29.455 1.00936.33 C ATOM 21771 C4* G 01070 113.086 122.415 28.638 1.00936.33 C ATOM 21772 O4* G 01070 114.287 121.978 27.952 1.00936.33 O ATOM 21773 C3* G 01070 112.644 121.191 29.420 1.00936.33 C ATOM 21774 O3* G 01070 111.251 121.229 29.700 1.00936.33 O ATOM 21775 C2* G 01070 112.970 120.065 28.451 1.00936.33 C ATOM 21776 O2* G 01070 111.987 119.907 27.450 1.00936.33 O ATOM 21777 C1* G 01070 114.276 120.566 27.832 1.00936.33 C ATOM 21778 N9 G 01070 115.449 120.030 28.515 1.00936.33 N ATOM 21779 C8 G 01070 116.263 120.670 29.419 1.00936.33 C ATOM 21780 N7 G 01070 117.232 119.917 29.855 1.00936.33 N ATOM 21781 C5 G 01070 117.047 118.707 29.206 1.00936.33 C ATOM 21782 C6 G 01070 117.782 117.510 29.275 1.00936.33 C ATOM 21783 O6 G 01070 118.783 117.262 29.964 1.00936.33 O ATOM 21784 N1 G 01070 117.253 116.532 28.438 1.00936.33 N ATOM 21785 C2 G 01070 116.152 116.690 27.637 1.00936.33 C ATOM 21786 N2 G 01070 115.803 115.635 26.880 1.00936.33 N ATOM 21787 N3 G 01070 115.446 117.800 27.572 1.00936.33 N ATOM 21788 C4 G 01070 115.949 118.763 28.373 1.00936.33 C ATOM 21789 P U 01071 110.714 121.127 31.226 1.00936.33 P ATOM 21790 O1P U 01071 109.653 120.057 31.307 1.00936.33 O ATOM 21791 O2P U 01071 110.401 122.536 31.705 1.00936.33 O ATOM 21792 O5* U 01071 111.934 120.602 32.115 1.00936.33 O ATOM 21793 C5* U 01071 111.768 120.541 33.544 1.00936.33 C ATOM 21794 C4* U 01071 113.111 120.491 34.242 1.00936.33 C ATOM 21795 O4* U 01071 113.697 119.165 34.120 1.00936.33 O ATOM 21796 C3* U 01071 114.179 121.487 33.786 1.00936.33 C ATOM 21797 O3* U 01071 115.050 121.863 34.895 1.00936.33 O ATOM 21798 C2* U 01071 114.946 120.659 32.740 1.00936.33 C ATOM 21799 O2* U 01071 116.287 121.098 32.599 1.00936.33 O ATOM 21800 C1* U 01071 114.869 119.229 33.313 1.00936.33 C ATOM 21801 N1 U 01071 114.740 118.148 32.311 1.00936.33 N ATOM 21802 C2 U 01071 115.710 117.123 32.282 1.00936.33 C ATOM 21803 O2 U 01071 116.738 117.131 32.972 1.00936.33 O ATOM 21804 N3 U 01071 115.425 116.090 31.407 1.00936.33 N ATOM 21805 C4 U 01071 114.321 115.981 30.561 1.00936.33 C ATOM 21806 O4 U 01071 114.125 114.918 29.943 1.00936.33 O ATOM 21807 C5 U 01071 113.422 117.104 30.602 1.00936.33 C ATOM 21808 C6 U 01071 113.652 118.117 31.444 1.00936.33 C ATOM 21809 P U 01072 114.567 121.614 36.428 1.00936.33 P ATOM 21810 O1P U 01072 115.445 120.634 35.746 1.00936.33 O ATOM 21811 O2P U 01072 114.600 123.102 36.295 1.00936.33 O ATOM 21812 O5* U 01072 115.743 121.628 37.510 1.00936.33 O ATOM 21813 C5* U 01072 116.409 120.396 37.917 1.00936.33 C ATOM 21814 C4* U 01072 115.459 119.482 38.674 1.00936.33 C ATOM 21815 O4* U 01072 114.350 120.232 39.202 1.00936.33 O ATOM 21816 C3* U 01072 114.730 118.369 37.923 1.00936.33 C ATOM 21817 O3* U 01072 115.661 117.285 37.731 1.00936.33 O ATOM 21818 C2* U 01072 113.570 118.018 38.880 1.00936.33 C ATOM 21819 O2* U 01072 113.859 116.977 39.789 1.00936.33 O ATOM 21820 C1* U 01072 113.448 119.293 39.727 1.00936.33 C ATOM 21821 N1 U 01072 112.127 119.915 39.917 1.00936.33 N ATOM 21822 C2 U 01072 111.472 119.687 41.119 1.00936.33 C ATOM 21823 O2 U 01072 111.954 119.031 42.031 1.00936.33 O ATOM 21824 N3 U 01072 110.228 120.256 41.213 1.00936.33 N ATOM 21825 C4 U 01072 109.588 121.021 40.262 1.00936.33 C ATOM 21826 O4 U 01072 108.443 121.428 40.480 1.00936.33 O ATOM 21827 C5 U 01072 110.338 121.229 39.061 1.00936.33 C ATOM 21828 C6 U 01072 111.548 120.684 38.932 1.00936.33 C ATOM 21829 P G 01073 115.181 115.863 37.124 1.00936.33 P ATOM 21830 O1P G 01073 114.211 115.220 38.057 1.00936.33 O ATOM 21831 O2P G 01073 116.413 115.121 36.737 1.00936.33 O ATOM 21832 O5* G 01073 114.398 116.224 35.785 1.00936.33 O ATOM 21833 C5* G 01073 113.166 115.551 35.486 1.00936.33 C ATOM 21834 C4* G 01073 113.303 114.690 34.249 1.00936.33 C ATOM 21835 O4* G 01073 114.647 114.168 34.084 1.00936.33 O ATOM 21836 C3* G 01073 112.451 113.433 34.285 1.00936.33 C ATOM 21837 O3* G 01073 111.092 113.715 34.021 1.00936.33 O ATOM 21838 C2* G 01073 113.100 112.576 33.210 1.00936.33 C ATOM 21839 O2* G 01073 112.720 112.952 31.906 1.00936.33 O ATOM 21840 C1* G 01073 114.579 112.921 33.406 1.00936.33 C ATOM 21841 N9 G 01073 115.341 111.918 34.149 1.00936.33 N ATOM 21842 C8 G 01073 116.300 112.147 35.106 1.00936.33 C ATOM 21843 N7 G 01073 116.861 111.051 35.536 1.00936.33 N ATOM 21844 C5 G 01073 116.228 110.038 34.831 1.00936.33 C ATOM 21845 C6 G 01073 116.439 108.630 34.849 1.00936.33 C ATOM 21846 O6 G 01073 117.276 107.985 35.482 1.00936.33 O ATOM 21847 N1 G 01073 115.562 107.972 33.997 1.00936.33 N ATOM 21848 C2 G 01073 114.609 108.583 33.217 1.00936.33 C ATOM 21849 N2 G 01073 113.834 107.769 32.486 1.00936.33 N ATOM 21850 N3 G 01073 114.426 109.893 33.164 1.00936.33 N ATOM 21851 C4 G 01073 115.264 110.554 33.992 1.00936.33 C ATOM 21852 P G 01074 110.005 113.538 35.193 1.00936.33 P ATOM 21853 O1P G 01074 108.874 114.466 34.868 1.00936.33 O ATOM 21854 O2P G 01074 110.698 113.656 36.514 1.00936.33 O ATOM 21855 O5* G 01074 109.504 112.031 35.043 1.00936.33 O ATOM 21856 C5* G 01074 109.128 111.501 33.759 1.00936.33 C ATOM 21857 C4* G 01074 109.405 110.018 33.708 1.00936.33 C ATOM 21858 O4* G 01074 110.832 109.769 33.823 1.00936.33 O ATOM 21859 C3* G 01074 108.871 109.194 34.867 1.00936.33 C ATOM 21860 O3* G 01074 107.470 108.971 34.796 1.00936.33 O ATOM 21861 C2* G 01074 109.661 107.897 34.710 1.00936.33 C ATOM 21862 O2* G 01074 109.122 107.046 33.716 1.00936.33 O ATOM 21863 C1* G 01074 111.030 108.429 34.272 1.00936.33 C ATOM 21864 N9 G 01074 112.021 108.424 35.349 1.00936.33 N ATOM 21865 C8 G 01074 112.545 109.516 36.009 1.00936.33 C ATOM 21866 N7 G 01074 113.449 109.192 36.900 1.00936.33 N ATOM 21867 C5 G 01074 113.524 107.803 36.833 1.00936.33 C ATOM 21868 C6 G 01074 114.345 106.876 37.558 1.00936.33 C ATOM 21869 O6 G 01074 115.205 107.115 38.421 1.00936.33 O ATOM 21870 N1 G 01074 114.089 105.559 37.182 1.00936.33 N ATOM 21871 C2 G 01074 113.161 105.171 36.234 1.00936.33 C ATOM 21872 N2 G 01074 113.053 103.842 36.022 1.00936.33 N ATOM 21873 N3 G 01074 112.398 106.018 35.549 1.00936.33 N ATOM 21874 C4 G 01074 112.635 107.309 35.897 1.00936.33 C ATOM 21875 P C 01075 106.671 108.582 36.141 1.00936.33 P ATOM 21876 O1P C 01075 105.287 108.120 35.751 1.00936.33 O ATOM 21877 O2P C 01075 106.823 109.732 37.112 1.00936.33 O ATOM 21878 O5* C 01075 107.491 107.321 36.687 1.00936.33 O ATOM 21879 C5* C 01075 107.415 106.048 36.016 1.00936.33 C ATOM 21880 C4* C 01075 108.175 105.003 36.793 1.00936.33 C ATOM 21881 O4* C 01075 109.607 105.282 36.785 1.00936.33 O ATOM 21882 C3* C 01075 107.834 104.954 38.270 1.00936.33 C ATOM 21883 O3* C 01075 106.572 104.314 38.497 1.00936.33 O ATOM 21884 C2* C 01075 109.046 104.220 38.829 1.00936.33 C ATOM 21885 O2* C 01075 109.041 102.845 38.499 1.00936.33 O ATOM 21886 C1* C 01075 110.178 104.857 38.018 1.00936.33 C ATOM 21887 N1 C 01075 110.831 106.019 38.669 1.00936.33 N ATOM 21888 C2 C 01075 111.930 105.794 39.535 1.00936.33 C ATOM 21889 O2 C 01075 112.292 104.624 39.762 1.00936.33 O ATOM 21890 N3 C 01075 112.563 106.861 40.094 1.00936.33 N ATOM 21891 C4 C 01075 112.140 108.107 39.819 1.00936.33 C ATOM 21892 N4 C 01075 112.805 109.138 40.370 1.00936.33 N ATOM 21893 C5 C 01075 111.019 108.357 38.967 1.00936.33 C ATOM 21894 C6 C 01075 110.400 107.296 38.424 1.00936.33 C ATOM 21895 P U 01076 105.466 105.011 39.459 1.00936.33 P ATOM 21896 O1P U 01076 104.120 104.545 39.035 1.00936.33 O ATOM 21897 O2P U 01076 105.741 106.470 39.560 1.00936.33 O ATOM 21898 O5* U 01076 105.737 104.380 40.895 1.00936.33 O ATOM 21899 C5* U 01076 105.999 102.972 41.044 1.00936.33 C ATOM 21900 C4* U 01076 107.191 102.752 41.949 1.00936.33 C ATOM 21901 O4* U 01076 108.315 103.528 41.458 1.00936.33 O ATOM 21902 C3* U 01076 107.052 103.245 43.382 1.00936.33 C ATOM 21903 O3* U 01076 106.357 102.334 44.214 1.00936.33 O ATOM 21904 C2* U 01076 108.501 103.350 43.827 1.00936.33 C ATOM 21905 O2* U 01076 109.040 102.111 44.239 1.00936.33 O ATOM 21906 C1* U 01076 109.168 103.856 42.546 1.00936.33 C ATOM 21907 N1 U 01076 109.477 105.302 42.540 1.00936.33 N ATOM 21908 C2 U 01076 110.586 105.707 43.280 1.00936.33 C ATOM 21909 O2 U 01076 111.290 104.928 43.904 1.00936.33 O ATOM 21910 N3 U 01076 110.848 107.059 43.253 1.00936.33 N ATOM 21911 C4 U 01076 110.154 108.031 42.571 1.00936.33 C ATOM 21912 O4 U 01076 110.511 109.204 42.672 1.00936.33 O ATOM 21913 C5 U 01076 109.032 107.548 41.816 1.00936.33 C ATOM 21914 C6 U 01076 108.731 106.230 41.834 1.00936.33 C ATOM 21915 P U 01077 105.368 102.892 45.356 1.00936.33 P ATOM 21916 O1P U 01077 105.075 101.765 46.302 1.00936.33 O ATOM 21917 O2P U 01077 104.257 103.550 44.608 1.00936.33 O ATOM 21918 O5* U 01077 106.194 104.006 46.153 1.00936.33 O ATOM 21919 C5* U 01077 106.817 103.714 47.431 1.00936.33 C ATOM 21920 C4* U 01077 107.384 104.983 48.042 1.00936.33 C ATOM 21921 O4* U 01077 108.264 105.631 47.075 1.00936.33 O ATOM 21922 C3* U 01077 106.377 106.071 48.429 1.00936.33 C ATOM 21923 O3* U 01077 105.799 105.788 49.725 1.00936.33 O ATOM 21924 C2* U 01077 107.271 107.305 48.432 1.00936.33 C ATOM 21925 O2* U 01077 108.122 107.243 49.557 1.00936.33 O ATOM 21926 C1* U 01077 108.149 107.044 47.202 1.00936.33 C ATOM 21927 N1 U 01077 107.597 107.587 45.943 1.00936.33 N ATOM 21928 C2 U 01077 107.999 108.868 45.539 1.00936.33 C ATOM 21929 O2 U 01077 108.789 109.564 46.173 1.00936.33 O ATOM 21930 N3 U 01077 107.435 109.302 44.361 1.00936.33 N ATOM 21931 C4 U 01077 106.534 108.615 43.558 1.00936.33 C ATOM 21932 O4 U 01077 106.110 109.146 42.524 1.00936.33 O ATOM 21933 C5 U 01077 106.174 107.314 44.041 1.00936.33 C ATOM 21934 C6 U 01077 106.700 106.857 45.180 1.00936.33 C ATOM 21935 P A 01078 104.816 106.859 50.459 1.00936.33 P ATOM 21936 O1P A 01078 105.508 107.355 51.683 1.00936.33 O ATOM 21937 O2P A 01078 103.471 106.224 50.594 1.00936.33 O ATOM 21938 O5* A 01078 104.676 108.106 49.471 1.00936.33 O ATOM 21939 C5* A 01078 103.434 108.843 49.397 1.00936.33 C ATOM 21940 C4* A 01078 103.624 110.295 49.797 1.00936.33 C ATOM 21941 O4* A 01078 103.847 110.433 51.223 1.00936.33 O ATOM 21942 C3* A 01078 104.771 111.068 49.176 1.00936.33 C ATOM 21943 O3* A 01078 104.424 111.472 47.863 1.00936.33 O ATOM 21944 C2* A 01078 104.885 112.268 50.111 1.00936.33 C ATOM 21945 O2* A 01078 103.910 113.255 49.839 1.00936.33 O ATOM 21946 C1* A 01078 104.579 111.629 51.469 1.00936.33 C ATOM 21947 N9 A 01078 105.777 111.298 52.237 1.00936.33 N ATOM 21948 C8 A 01078 106.144 110.067 52.723 1.00936.33 C ATOM 21949 N7 A 01078 107.283 110.069 53.368 1.00936.33 N ATOM 21950 C5 A 01078 107.697 111.393 53.309 1.00936.33 C ATOM 21951 C6 A 01078 108.832 112.043 53.812 1.00936.33 C ATOM 21952 N6 A 01078 109.789 111.422 54.502 1.00936.33 N ATOM 21953 N1 A 01078 108.953 113.368 53.577 1.00936.33 N ATOM 21954 C2 A 01078 107.983 113.985 52.889 1.00936.33 C ATOM 21955 N3 A 01078 106.864 113.483 52.372 1.00936.33 N ATOM 21956 C4 A 01078 106.780 112.162 52.618 1.00936.33 C ATOM 21957 P G 01079 105.256 110.910 46.609 1.00936.33 P ATOM 21958 O1P G 01079 104.586 111.460 45.377 1.00936.33 O ATOM 21959 O2P G 01079 105.396 109.418 46.772 1.00936.33 O ATOM 21960 O5* G 01079 106.684 111.609 46.766 1.00936.33 O ATOM 21961 C5* G 01079 106.770 113.036 47.016 1.00936.33 C ATOM 21962 C4* G 01079 108.000 113.363 47.828 1.00936.33 C ATOM 21963 O4* G 01079 108.027 112.551 49.030 1.00936.33 O ATOM 21964 C3* G 01079 109.306 112.989 47.157 1.00936.33 C ATOM 21965 O3* G 01079 109.651 114.002 46.200 1.00936.33 O ATOM 21966 C2* G 01079 110.283 112.910 48.338 1.00936.33 C ATOM 21967 O2* G 01079 110.828 114.156 48.731 1.00936.33 O ATOM 21968 C1* G 01079 109.371 112.426 49.471 1.00936.33 C ATOM 21969 N9 G 01079 109.600 111.076 49.995 1.00936.33 N ATOM 21970 C8 G 01079 108.815 109.958 49.814 1.00936.33 C ATOM 21971 N7 G 01079 109.258 108.908 50.456 1.00936.33 N ATOM 21972 C5 G 01079 110.417 109.345 51.083 1.00936.33 C ATOM 21973 C6 G 01079 111.337 108.637 51.910 1.00936.33 C ATOM 21974 O6 G 01079 111.303 107.444 52.268 1.00936.33 O ATOM 21975 N1 G 01079 112.378 109.462 52.334 1.00936.33 N ATOM 21976 C2 G 01079 112.517 110.795 52.010 1.00936.33 C ATOM 21977 N2 G 01079 113.589 111.431 52.533 1.00936.33 N ATOM 21978 N3 G 01079 111.667 111.462 51.233 1.00936.33 N ATOM 21979 C4 G 01079 110.649 110.682 50.808 1.00936.33 C ATOM 21980 P A 01080 109.243 113.826 44.645 1.00936.33 P ATOM 21981 O1P A 01080 108.579 115.090 44.221 1.00936.33 O ATOM 21982 O2P A 01080 108.565 112.533 44.436 1.00936.33 O ATOM 21983 O5* A 01080 110.637 113.718 43.898 1.00936.33 O ATOM 21984 C5* A 01080 111.721 114.569 44.262 1.00936.33 C ATOM 21985 C4* A 01080 112.917 113.745 44.663 1.00936.33 C ATOM 21986 O4* A 01080 112.676 113.003 45.881 1.00936.33 O ATOM 21987 C3* A 01080 113.305 112.618 43.729 1.00936.33 C ATOM 21988 O3* A 01080 113.970 113.167 42.612 1.00936.33 O ATOM 21989 C2* A 01080 114.274 111.810 44.595 1.00936.33 C ATOM 21990 O2* A 01080 115.588 112.332 44.571 1.00936.33 O ATOM 21991 C1* A 01080 113.705 112.038 46.000 1.00936.33 C ATOM 21992 N9 A 01080 113.230 110.836 46.686 1.00936.33 N ATOM 21993 C8 A 01080 112.084 110.098 46.510 1.00936.33 C ATOM 21994 N7 A 01080 112.011 109.043 47.287 1.00936.33 N ATOM 21995 C5 A 01080 113.185 109.093 48.030 1.00936.33 C ATOM 21996 C6 A 01080 113.714 108.250 49.031 1.00936.33 C ATOM 21997 N6 A 01080 113.095 107.152 49.476 1.00936.33 N ATOM 21998 N1 A 01080 114.915 108.578 49.563 1.00936.33 N ATOM 21999 C2 A 01080 115.531 109.682 49.117 1.00936.33 C ATOM 22000 N3 A 01080 115.133 110.553 48.189 1.00936.33 N ATOM 22001 C4 A 01080 113.940 110.193 47.676 1.00936.33 C ATOM 22002 P A 01081 114.166 112.302 41.279 1.00936.33 P ATOM 22003 O1P A 01081 112.847 112.161 40.606 1.00936.33 O ATOM 22004 O2P A 01081 114.957 111.089 41.615 1.00936.33 O ATOM 22005 O5* A 01081 115.068 113.276 40.405 1.00936.33 O ATOM 22006 C5* A 01081 116.220 113.925 40.982 1.00936.33 C ATOM 22007 C4* A 01081 116.007 115.420 41.046 1.00936.33 C ATOM 22008 O4* A 01081 115.087 115.762 42.111 1.00936.33 O ATOM 22009 C3* A 01081 117.232 116.228 41.434 1.00936.33 C ATOM 22010 O3* A 01081 118.044 116.376 40.263 1.00936.33 O ATOM 22011 C2* A 01081 116.635 117.558 41.918 1.00936.33 C ATOM 22012 O2* A 01081 116.503 118.527 40.907 1.00936.33 O ATOM 22013 C1* A 01081 115.237 117.139 42.391 1.00936.33 C ATOM 22014 N9 A 01081 114.913 117.409 43.792 1.00936.33 N ATOM 22015 C8 A 01081 114.972 116.566 44.875 1.00936.33 C ATOM 22016 N7 A 01081 114.593 117.128 46.001 1.00936.33 N ATOM 22017 C5 A 01081 114.267 118.427 45.635 1.00936.33 C ATOM 22018 C6 A 01081 113.798 119.533 46.375 1.00936.33 C ATOM 22019 N6 A 01081 113.563 119.501 47.687 1.00936.33 N ATOM 22020 N1 A 01081 113.575 120.687 45.704 1.00936.33 N ATOM 22021 C2 A 01081 113.811 120.719 44.387 1.00936.33 C ATOM 22022 N3 A 01081 114.250 119.749 43.585 1.00936.33 N ATOM 22023 C4 A 01081 114.462 118.615 44.280 1.00936.33 C ATOM 22024 P G 01082 119.267 117.424 40.239 1.00936.33 P ATOM 22025 O1P G 01082 119.641 117.772 41.631 1.00936.33 O ATOM 22026 O2P G 01082 118.906 118.506 39.281 1.00936.33 O ATOM 22027 O5* G 01082 120.458 116.581 39.602 1.00936.33 O ATOM 22028 C5* G 01082 120.226 115.646 38.531 1.00936.33 C ATOM 22029 C4* G 01082 121.185 114.483 38.635 1.00936.33 C ATOM 22030 O4* G 01082 122.545 114.980 38.573 1.00936.33 O ATOM 22031 C3* G 01082 121.155 113.730 39.955 1.00936.33 C ATOM 22032 O3* G 01082 120.108 112.764 39.978 1.00936.33 O ATOM 22033 C2* G 01082 122.524 113.061 39.993 1.00936.33 C ATOM 22034 O2* G 01082 122.574 111.840 39.286 1.00936.33 O ATOM 22035 C1* G 01082 123.397 114.096 39.280 1.00936.33 C ATOM 22036 N9 G 01082 124.286 114.858 40.159 1.00936.33 N ATOM 22037 C8 G 01082 125.346 114.344 40.868 1.00936.33 C ATOM 22038 N7 G 01082 125.966 115.239 41.586 1.00936.33 N ATOM 22039 C5 G 01082 125.286 116.421 41.330 1.00936.33 C ATOM 22040 C6 G 01082 125.512 117.739 41.824 1.00936.33 C ATOM 22041 O6 G 01082 126.381 118.130 42.613 1.00936.33 O ATOM 22042 N1 G 01082 124.589 118.643 41.304 1.00936.33 N ATOM 22043 C2 G 01082 123.583 118.328 40.423 1.00936.33 C ATOM 22044 N2 G 01082 122.796 119.349 40.039 1.00936.33 N ATOM 22045 N3 G 01082 123.363 117.108 39.954 1.00936.33 N ATOM 22046 C4 G 01082 124.245 116.208 40.448 1.00936.33 C ATOM 22047 P C 01083 119.524 112.247 41.390 1.00936.33 P ATOM 22048 O1P C 01083 118.614 111.083 41.099 1.00936.33 O ATOM 22049 O2P C 01083 118.991 113.429 42.153 1.00936.33 O ATOM 22050 O5* C 01083 120.818 111.707 42.161 1.00936.33 O ATOM 22051 C5* C 01083 121.308 110.368 41.959 1.00936.33 C ATOM 22052 C4* C 01083 122.488 110.109 42.870 1.00936.33 C ATOM 22053 O4* C 01083 123.560 111.057 42.572 1.00936.33 O ATOM 22054 C3* C 01083 122.235 110.323 44.360 1.00936.33 C ATOM 22055 O3* C 01083 121.563 109.203 44.951 1.00936.33 O ATOM 22056 C2* C 01083 123.655 110.522 44.897 1.00936.33 C ATOM 22057 O2* C 01083 124.380 109.303 45.030 1.00936.33 O ATOM 22058 C1* C 01083 124.281 111.351 43.769 1.00936.33 C ATOM 22059 N1 C 01083 124.232 112.811 44.009 1.00936.33 N ATOM 22060 C2 C 01083 125.330 113.430 44.640 1.00936.33 C ATOM 22061 O2 C 01083 126.301 112.724 45.005 1.00936.33 O ATOM 22062 N3 C 01083 125.307 114.773 44.842 1.00936.33 N ATOM 22063 C4 C 01083 124.242 115.490 44.454 1.00936.33 C ATOM 22064 N4 C 01083 124.260 116.814 44.671 1.00936.33 N ATOM 22065 C5 C 01083 123.111 114.885 43.827 1.00936.33 C ATOM 22066 C6 C 01083 123.144 113.557 43.626 1.00936.33 C ATOM 22067 P A 01084 121.007 109.301 46.462 1.00936.33 P ATOM 22068 O1P A 01084 119.670 109.953 46.429 1.00936.33 O ATOM 22069 O2P A 01084 122.083 109.878 47.317 1.00936.33 O ATOM 22070 O5* A 01084 120.793 107.776 46.874 1.00936.33 O ATOM 22071 C5* A 01084 121.557 107.163 47.939 1.00936.33 C ATOM 22072 C4* A 01084 120.770 106.024 48.540 1.00936.33 C ATOM 22073 O4* A 01084 119.514 106.548 49.046 1.00936.33 O ATOM 22074 C3* A 01084 120.366 104.937 47.552 1.00936.33 C ATOM 22075 O3* A 01084 121.404 103.971 47.392 1.00936.33 O ATOM 22076 C2* A 01084 119.101 104.368 48.185 1.00936.33 C ATOM 22077 O2* A 01084 119.345 103.439 49.224 1.00936.33 O ATOM 22078 C1* A 01084 118.464 105.631 48.772 1.00936.33 C ATOM 22079 N9 A 01084 117.510 106.286 47.875 1.00936.33 N ATOM 22080 C8 A 01084 117.655 107.491 47.225 1.00936.33 C ATOM 22081 N7 A 01084 116.625 107.820 46.485 1.00936.33 N ATOM 22082 C5 A 01084 115.740 106.765 46.658 1.00936.33 C ATOM 22083 C6 A 01084 114.457 106.516 46.139 1.00936.33 C ATOM 22084 N6 A 01084 113.817 107.344 45.307 1.00936.33 N ATOM 22085 N1 A 01084 113.845 105.368 46.506 1.00936.33 N ATOM 22086 C2 A 01084 114.486 104.538 47.342 1.00936.33 C ATOM 22087 N3 A 01084 115.688 104.664 47.897 1.00936.33 N ATOM 22088 C4 A 01084 116.269 105.813 47.511 1.00936.33 C ATOM 22089 P G 01085 121.807 103.464 45.920 1.00936.33 P ATOM 22090 O1P G 01085 123.034 102.632 46.058 1.00936.33 O ATOM 22091 O2P G 01085 121.813 104.638 45.003 1.00936.33 O ATOM 22092 O5* G 01085 120.602 102.507 45.498 1.00936.33 O ATOM 22093 C5* G 01085 120.313 101.289 46.220 1.00936.33 C ATOM 22094 C4* G 01085 118.956 100.764 45.823 1.00936.33 C ATOM 22095 O4* G 01085 117.948 101.744 46.189 1.00936.33 O ATOM 22096 C3* G 01085 118.766 100.571 44.326 1.00936.33 C ATOM 22097 O3* G 01085 119.281 99.313 43.878 1.00936.33 O ATOM 22098 C2* G 01085 117.258 100.706 44.163 1.00936.33 C ATOM 22099 O2* G 01085 116.539 99.536 44.501 1.00936.33 O ATOM 22100 C1* G 01085 116.947 101.802 45.185 1.00936.33 C ATOM 22101 N9 G 01085 116.944 103.148 44.614 1.00936.33 N ATOM 22102 C8 G 01085 117.880 104.136 44.808 1.00936.33 C ATOM 22103 N7 G 01085 117.602 105.242 44.172 1.00936.33 N ATOM 22104 C5 G 01085 116.412 104.967 43.511 1.00936.33 C ATOM 22105 C6 G 01085 115.619 105.789 42.656 1.00936.33 C ATOM 22106 O6 G 01085 115.815 106.964 42.306 1.00936.33 O ATOM 22107 N1 G 01085 114.493 105.109 42.198 1.00936.33 N ATOM 22108 C2 G 01085 114.169 103.810 42.512 1.00936.33 C ATOM 22109 N2 G 01085 113.048 103.329 41.962 1.00936.33 N ATOM 22110 N3 G 01085 114.896 103.040 43.308 1.00936.33 N ATOM 22111 C4 G 01085 115.994 103.678 43.768 1.00936.33 C ATOM 22112 P C 01086 119.947 99.194 42.416 1.00936.33 P ATOM 22113 O1P C 01086 120.600 97.857 42.339 1.00936.33 O ATOM 22114 O2P C 01086 120.754 100.417 42.158 1.00936.33 O ATOM 22115 O5* C 01086 118.705 99.202 41.414 1.00936.33 O ATOM 22116 C5* C 01086 117.788 98.090 41.361 1.00936.33 C ATOM 22117 C4* C 01086 116.652 98.384 40.409 1.00936.33 C ATOM 22118 O4* C 01086 115.888 99.521 40.894 1.00936.33 O ATOM 22119 C3* C 01086 117.048 98.785 38.995 1.00936.33 C ATOM 22120 O3* C 01086 117.369 97.647 38.192 1.00936.33 O ATOM 22121 C2* C 01086 115.803 99.525 38.514 1.00936.33 C ATOM 22122 O2* C 01086 114.756 98.665 38.109 1.00936.33 O ATOM 22123 C1* C 01086 115.376 100.256 39.790 1.00936.33 C ATOM 22124 N1 C 01086 115.877 101.642 39.864 1.00936.33 N ATOM 22125 C2 C 01086 115.096 102.678 39.315 1.00936.33 C ATOM 22126 O2 C 01086 114.003 102.406 38.789 1.00936.33 O ATOM 22127 N3 C 01086 115.557 103.950 39.370 1.00936.33 N ATOM 22128 C4 C 01086 116.736 104.208 39.943 1.00936.33 C ATOM 22129 N4 C 01086 117.151 105.479 39.974 1.00936.33 N ATOM 22130 C5 C 01086 117.544 103.177 40.513 1.00936.33 C ATOM 22131 C6 C 01086 117.081 101.923 40.452 1.00936.33 C ATOM 22132 P C 01087 118.418 97.796 36.977 1.00936.33 P ATOM 22133 O1P C 01087 118.626 96.446 36.380 1.00936.33 O ATOM 22134 O2P C 01087 119.588 98.562 37.478 1.00936.33 O ATOM 22135 O5* C 01087 117.648 98.699 35.913 1.00936.33 O ATOM 22136 C5* C 01087 116.495 98.192 35.220 1.00936.33 C ATOM 22137 C4* C 01087 115.915 99.239 34.296 1.00936.33 C ATOM 22138 O4* C 01087 115.398 100.360 35.063 1.00936.33 O ATOM 22139 C3* C 01087 116.869 99.901 33.314 1.00936.33 C ATOM 22140 O3* C 01087 117.158 99.074 32.190 1.00936.33 O ATOM 22141 C2* C 01087 116.093 101.154 32.929 1.00936.33 C ATOM 22142 O2* C 01087 115.059 100.917 31.990 1.00936.33 O ATOM 22143 C1* C 01087 115.472 101.542 34.275 1.00936.33 C ATOM 22144 N1 C 01087 116.258 102.561 34.996 1.00936.33 N ATOM 22145 C2 C 01087 115.990 103.912 34.741 1.00936.33 C ATOM 22146 O2 C 01087 115.154 104.199 33.878 1.00936.33 O ATOM 22147 N3 C 01087 116.646 104.863 35.444 1.00936.33 N ATOM 22148 C4 C 01087 117.546 104.509 36.364 1.00936.33 C ATOM 22149 N4 C 01087 118.134 105.480 37.069 1.00936.33 N ATOM 22150 C5 C 01087 117.875 103.139 36.614 1.00936.33 C ATOM 22151 C6 C 01087 117.215 102.209 35.913 1.00936.33 C ATOM 22152 P A 01088 118.531 99.287 31.382 1.00936.33 P ATOM 22153 O1P A 01088 118.596 98.219 30.353 1.00936.33 O ATOM 22154 O2P A 01088 119.638 99.428 32.366 1.00936.33 O ATOM 22155 O5* A 01088 118.342 100.694 30.652 1.00936.33 O ATOM 22156 C5* A 01088 117.243 100.917 29.740 1.00936.33 C ATOM 22157 C4* A 01088 117.030 102.400 29.516 1.00936.33 C ATOM 22158 O4* A 01088 116.765 103.045 30.793 1.00936.33 O ATOM 22159 C3* A 01088 118.213 103.176 28.953 1.00936.33 C ATOM 22160 O3* A 01088 118.317 103.061 27.532 1.00936.33 O ATOM 22161 C2* A 01088 117.905 104.596 29.410 1.00936.33 C ATOM 22162 O2* A 01088 116.916 105.239 28.632 1.00936.33 O ATOM 22163 C1* A 01088 117.345 104.341 30.810 1.00936.33 C ATOM 22164 N9 A 01088 118.387 104.368 31.840 1.00936.33 N ATOM 22165 C8 A 01088 119.173 103.322 32.279 1.00936.33 C ATOM 22166 N7 A 01088 120.036 103.663 33.206 1.00936.33 N ATOM 22167 C5 A 01088 119.807 105.018 33.396 1.00936.33 C ATOM 22168 C6 A 01088 120.402 105.969 34.251 1.00936.33 C ATOM 22169 N6 A 01088 121.396 105.688 35.102 1.00936.33 N ATOM 22170 N1 A 01088 119.935 107.238 34.197 1.00936.33 N ATOM 22171 C2 A 01088 118.947 107.522 33.340 1.00936.33 C ATOM 22172 N3 A 01088 118.312 106.721 32.487 1.00936.33 N ATOM 22173 C4 A 01088 118.793 105.469 32.565 1.00936.33 C ATOM 22174 P C 01089 119.762 103.171 26.821 1.00936.33 P ATOM 22175 O1P C 01089 119.544 103.052 25.359 1.00936.33 O ATOM 22176 O2P C 01089 120.701 102.237 27.497 1.00936.33 O ATOM 22177 O5* C 01089 120.242 104.659 27.131 1.00936.33 O ATOM 22178 C5* C 01089 119.433 105.802 26.767 1.00936.33 C ATOM 22179 C4* C 01089 119.915 107.036 27.501 1.00936.33 C ATOM 22180 O4* C 01089 119.743 106.850 28.934 1.00936.33 O ATOM 22181 C3* C 01089 121.396 107.345 27.339 1.00936.33 C ATOM 22182 O3* C 01089 121.652 108.051 26.129 1.00936.33 O ATOM 22183 C2* C 01089 121.701 108.157 28.595 1.00936.33 C ATOM 22184 O2* C 01089 121.274 109.503 28.532 1.00936.33 O ATOM 22185 C1* C 01089 120.837 107.432 29.630 1.00936.33 C ATOM 22186 N1 C 01089 121.562 106.359 30.343 1.00936.33 N ATOM 22187 C2 C 01089 122.434 106.706 31.390 1.00936.33 C ATOM 22188 O2 C 01089 122.591 107.908 31.681 1.00936.33 O ATOM 22189 N3 C 01089 123.089 105.723 32.053 1.00936.33 N ATOM 22190 C4 C 01089 122.903 104.443 31.709 1.00936.33 C ATOM 22191 N4 C 01089 123.560 103.501 32.396 1.00936.33 N ATOM 22192 C5 C 01089 122.031 104.067 30.645 1.00936.33 C ATOM 22193 C6 C 01089 121.390 105.046 29.997 1.00936.33 C ATOM 22194 P C 01090 122.244 107.268 24.853 1.00936.33 P ATOM 22195 O1P C 01090 122.182 105.799 25.092 1.00936.33 O ATOM 22196 O2P C 01090 123.540 107.901 24.493 1.00936.33 O ATOM 22197 O5* C 01090 121.199 107.598 23.702 1.00936.33 O ATOM 22198 C5* C 01090 120.966 108.951 23.291 1.00936.33 C ATOM 22199 C4* C 01090 119.513 109.304 23.468 1.00936.33 C ATOM 22200 O4* C 01090 119.183 109.374 24.882 1.00936.33 O ATOM 22201 C3* C 01090 119.150 110.678 22.944 1.00936.33 C ATOM 22202 O3* C 01090 118.939 110.631 21.542 1.00936.33 O ATOM 22203 C2* C 01090 117.897 111.011 23.734 1.00936.33 C ATOM 22204 O2* C 01090 116.737 110.377 23.240 1.00936.33 O ATOM 22205 C1* C 01090 118.250 110.426 25.106 1.00936.33 C ATOM 22206 N1 C 01090 118.857 111.413 26.029 1.00936.33 N ATOM 22207 C2 C 01090 118.123 112.558 26.388 1.00936.33 C ATOM 22208 O2 C 01090 116.984 112.722 25.919 1.00936.33 O ATOM 22209 N3 C 01090 118.672 113.452 27.240 1.00936.33 N ATOM 22210 C4 C 01090 119.897 113.244 27.728 1.00936.33 C ATOM 22211 N4 C 01090 120.399 114.141 28.575 1.00936.33 N ATOM 22212 C5 C 01090 120.663 112.099 27.375 1.00936.33 C ATOM 22213 C6 C 01090 120.113 111.220 26.531 1.00936.33 C ATOM 22214 P C 01091 119.773 111.610 20.587 1.00936.33 P ATOM 22215 O1P C 01091 119.358 111.329 19.187 1.00936.33 O ATOM 22216 O2P C 01091 121.208 111.507 20.962 1.00936.33 O ATOM 22217 O5* C 01091 119.245 113.052 20.991 1.00936.33 O ATOM 22218 C5* C 01091 117.936 113.485 20.605 1.00936.33 C ATOM 22219 C4* C 01091 117.872 114.988 20.609 1.00936.33 C ATOM 22220 O4* C 01091 117.880 115.464 21.986 1.00936.33 O ATOM 22221 C3* C 01091 119.049 115.679 19.917 1.00936.33 C ATOM 22222 O3* C 01091 118.588 116.896 19.341 1.00936.33 O ATOM 22223 C2* C 01091 119.974 115.975 21.092 1.00936.33 C ATOM 22224 O2* C 01091 120.905 117.014 20.872 1.00936.33 O ATOM 22225 C1* C 01091 118.949 116.366 22.156 1.00936.33 C ATOM 22226 N1 C 01091 119.406 116.348 23.560 1.00936.33 N ATOM 22227 C2 C 01091 118.982 117.377 24.418 1.00936.33 C ATOM 22228 O2 C 01091 118.187 118.230 23.991 1.00936.33 O ATOM 22229 N3 C 01091 119.447 117.414 25.682 1.00936.33 N ATOM 22230 C4 C 01091 120.293 116.473 26.110 1.00936.33 C ATOM 22231 N4 C 01091 120.755 116.572 27.355 1.00936.33 N ATOM 22232 C5 C 01091 120.708 115.396 25.275 1.00936.33 C ATOM 22233 C6 C 01091 120.245 115.371 24.022 1.00936.33 C ATOM 22234 P U 01092 119.579 117.799 18.451 1.00936.33 P ATOM 22235 O1P U 01092 118.930 117.991 17.125 1.00936.33 O ATOM 22236 O2P U 01092 120.948 117.227 18.516 1.00936.33 O ATOM 22237 O5* U 01092 119.572 119.207 19.201 1.00936.33 O ATOM 22238 C5* U 01092 118.359 119.987 19.282 1.00936.33 C ATOM 22239 C4* U 01092 118.495 121.084 20.308 1.00936.33 C ATOM 22240 O4* U 01092 118.727 120.517 21.621 1.00936.33 O ATOM 22241 C3* U 01092 119.668 122.027 20.119 1.00936.33 C ATOM 22242 O3* U 01092 119.358 123.012 19.141 1.00936.33 O ATOM 22243 C2* U 01092 119.829 122.630 21.510 1.00936.33 C ATOM 22244 O2* U 01092 118.929 123.689 21.764 1.00936.33 O ATOM 22245 C1* U 01092 119.462 121.444 22.406 1.00936.33 C ATOM 22246 N1 U 01092 120.588 120.754 23.060 1.00936.33 N ATOM 22247 C2 U 01092 121.195 121.392 24.136 1.00936.33 C ATOM 22248 O2 U 01092 120.858 122.496 24.529 1.00936.33 O ATOM 22249 N3 U 01092 122.215 120.686 24.730 1.00936.33 N ATOM 22250 C4 U 01092 122.689 119.443 24.369 1.00936.33 C ATOM 22251 O4 U 01092 123.599 118.927 25.023 1.00936.33 O ATOM 22252 C5 U 01092 122.027 118.858 23.245 1.00936.33 C ATOM 22253 C6 U 01092 121.028 119.516 22.642 1.00936.33 C ATOM 22254 P U 01093 120.514 123.585 18.185 1.00936.33 P ATOM 22255 O1P U 01093 119.849 124.284 17.054 1.00936.33 O ATOM 22256 O2P U 01093 121.471 122.479 17.903 1.00936.33 O ATOM 22257 O5* U 01093 121.256 124.676 19.077 1.00936.33 O ATOM 22258 C5* U 01093 120.547 125.824 19.582 1.00936.33 C ATOM 22259 C4* U 01093 121.265 126.396 20.781 1.00936.33 C ATOM 22260 O4* U 01093 121.270 125.424 21.863 1.00936.33 O ATOM 22261 C3* U 01093 122.735 126.723 20.576 1.00936.33 C ATOM 22262 O3* U 01093 122.908 127.988 19.944 1.00936.33 O ATOM 22263 C2* U 01093 123.268 126.708 22.004 1.00936.33 C ATOM 22264 O2* U 01093 122.964 127.893 22.712 1.00936.33 O ATOM 22265 C1* U 01093 122.472 125.552 22.611 1.00936.33 C ATOM 22266 N1 U 01093 123.177 124.260 22.600 1.00936.33 N ATOM 22267 C2 U 01093 123.957 123.943 23.704 1.00936.33 C ATOM 22268 O2 U 01093 124.052 124.663 24.687 1.00936.33 O ATOM 22269 N3 U 01093 124.621 122.748 23.612 1.00936.33 N ATOM 22270 C4 U 01093 124.585 121.852 22.567 1.00936.33 C ATOM 22271 O4 U 01093 125.279 120.833 22.614 1.00936.33 O ATOM 22272 C5 U 01093 123.741 122.241 21.477 1.00936.33 C ATOM 22273 C6 U 01093 123.085 123.399 21.530 1.00936.33 C ATOM 22274 P C 01094 124.030 128.165 18.808 1.00936.33 P ATOM 22275 O1P C 01094 124.125 129.608 18.454 1.00936.33 O ATOM 22276 O2P C 01094 123.726 127.167 17.750 1.00936.33 O ATOM 22277 O5* C 01094 125.389 127.731 19.526 1.00936.33 O ATOM 22278 C5* C 01094 125.925 128.508 20.610 1.00936.33 C ATOM 22279 C4* C 01094 127.069 127.781 21.282 1.00936.33 C ATOM 22280 O4* C 01094 126.641 126.464 21.704 1.00936.33 O ATOM 22281 C3* C 01094 128.286 127.437 20.440 1.00936.33 C ATOM 22282 O3* C 01094 129.120 128.585 20.259 1.00936.33 O ATOM 22283 C2* C 01094 128.981 126.401 21.322 1.00936.33 C ATOM 22284 O2* C 01094 129.751 127.006 22.332 1.00936.33 O ATOM 22285 C1* C 01094 127.794 125.703 21.997 1.00936.33 C ATOM 22286 N1 C 01094 127.590 124.292 21.622 1.00936.33 N ATOM 22287 C2 C 01094 127.841 123.305 22.587 1.00936.33 C ATOM 22288 O2 C 01094 128.286 123.648 23.687 1.00936.33 O ATOM 22289 N3 C 01094 127.594 122.010 22.290 1.00936.33 N ATOM 22290 C4 C 01094 127.118 121.679 21.086 1.00936.33 C ATOM 22291 N4 C 01094 126.839 120.394 20.856 1.00936.33 N ATOM 22292 C5 C 01094 126.897 122.659 20.066 1.00936.33 C ATOM 22293 C6 C 01094 127.145 123.939 20.375 1.00936.33 C ATOM 22294 P A 01095 130.334 128.552 19.197 1.00936.33 P ATOM 22295 O1P A 01095 131.047 129.861 19.235 1.00936.33 O ATOM 22296 O2P A 01095 129.802 128.042 17.905 1.00936.33 O ATOM 22297 O5* A 01095 131.320 127.451 19.782 1.00936.33 O ATOM 22298 C5* A 01095 132.589 127.163 19.156 1.00936.33 C ATOM 22299 C4* A 01095 133.531 126.567 20.176 1.00936.33 C ATOM 22300 O4* A 01095 134.052 127.612 21.034 1.00936.33 O ATOM 22301 C3* A 01095 132.871 125.566 21.109 1.00936.33 C ATOM 22302 O3* A 01095 132.851 124.271 20.500 1.00936.33 O ATOM 22303 C2* A 01095 133.722 125.665 22.373 1.00936.33 C ATOM 22304 O2* A 01095 134.902 124.889 22.300 1.00936.33 O ATOM 22305 C1* A 01095 134.110 127.148 22.372 1.00936.33 C ATOM 22306 N9 A 01095 133.304 128.054 23.190 1.00936.33 N ATOM 22307 C8 A 01095 132.197 128.769 22.795 1.00936.33 C ATOM 22308 N7 A 01095 131.716 129.560 23.721 1.00936.33 N ATOM 22309 C5 A 01095 132.552 129.349 24.808 1.00936.33 C ATOM 22310 C6 A 01095 132.580 129.901 26.103 1.00936.33 C ATOM 22311 N6 A 01095 131.714 130.821 26.535 1.00936.33 N ATOM 22312 N1 A 01095 133.539 129.469 26.951 1.00936.33 N ATOM 22313 C2 A 01095 134.408 128.549 26.516 1.00936.33 C ATOM 22314 N3 A 01095 134.489 127.960 25.322 1.00936.33 N ATOM 22315 C4 A 01095 133.523 128.408 24.503 1.00936.33 C ATOM 22316 P A 01096 131.856 123.140 21.054 1.00936.33 P ATOM 22317 O1P A 01096 132.135 121.874 20.339 1.00936.33 O ATOM 22318 O2P A 01096 130.482 123.694 21.045 1.00936.33 O ATOM 22319 O5* A 01096 132.350 122.979 22.556 1.00936.33 O ATOM 22320 C5* A 01096 131.516 122.407 23.563 1.00936.33 C ATOM 22321 C4* A 01096 132.261 122.373 24.871 1.00936.33 C ATOM 22322 O4* A 01096 132.508 123.721 25.328 1.00936.33 O ATOM 22323 C3* A 01096 131.495 121.762 26.025 1.00936.33 C ATOM 22324 O3* A 01096 131.605 120.358 25.932 1.00936.33 O ATOM 22325 C2* A 01096 132.216 122.324 27.246 1.00936.33 C ATOM 22326 O2* A 01096 133.385 121.599 27.569 1.00936.33 O ATOM 22327 C1* A 01096 132.638 123.709 26.742 1.00936.33 C ATOM 22328 N9 A 01096 131.985 124.898 27.313 1.00936.33 N ATOM 22329 C8 A 01096 131.976 125.287 28.635 1.00936.33 C ATOM 22330 N7 A 01096 131.361 126.428 28.847 1.00936.33 N ATOM 22331 C5 A 01096 130.924 126.810 27.589 1.00936.33 C ATOM 22332 C6 A 01096 130.212 127.938 27.133 1.00936.33 C ATOM 22333 N6 A 01096 129.809 128.932 27.924 1.00936.33 N ATOM 22334 N1 A 01096 129.928 128.008 25.816 1.00936.33 N ATOM 22335 C2 A 01096 130.341 127.019 25.020 1.00936.33 C ATOM 22336 N3 A 01096 131.021 125.917 25.321 1.00936.33 N ATOM 22337 C4 A 01096 131.286 125.871 26.636 1.00936.33 C ATOM 22338 P A 01097 130.367 119.497 25.380 1.00936.33 P ATOM 22339 O1P A 01097 130.902 118.275 24.719 1.00936.33 O ATOM 22340 O2P A 01097 129.457 120.395 24.632 1.00936.33 O ATOM 22341 O5* A 01097 129.630 119.057 26.716 1.00936.33 O ATOM 22342 C5* A 01097 130.360 118.408 27.776 1.00936.33 C ATOM 22343 C4* A 01097 129.851 118.873 29.120 1.00936.33 C ATOM 22344 O4* A 01097 130.132 120.280 29.288 1.00936.33 O ATOM 22345 C3* A 01097 128.343 118.793 29.277 1.00936.33 C ATOM 22346 O3* A 01097 127.980 117.457 29.618 1.00936.33 O ATOM 22347 C2* A 01097 128.062 119.802 30.391 1.00936.33 C ATOM 22348 O2* A 01097 128.182 119.250 31.686 1.00936.33 O ATOM 22349 C1* A 01097 129.176 120.840 30.165 1.00936.33 C ATOM 22350 N9 A 01097 128.800 122.153 29.641 1.00936.33 N ATOM 22351 C8 A 01097 129.117 123.401 30.116 1.00936.33 C ATOM 22352 N7 A 01097 128.597 124.380 29.416 1.00936.33 N ATOM 22353 C5 A 01097 127.896 123.734 28.404 1.00936.33 C ATOM 22354 C6 A 01097 127.118 124.212 27.322 1.00936.33 C ATOM 22355 N6 A 01097 126.890 125.505 27.076 1.00936.33 N ATOM 22356 N1 A 01097 126.569 123.293 26.495 1.00936.33 N ATOM 22357 C2 A 01097 126.779 121.999 26.743 1.00936.33 C ATOM 22358 N3 A 01097 127.481 121.432 27.721 1.00936.33 N ATOM 22359 C4 A 01097 128.019 122.363 28.526 1.00936.33 C ATOM 22360 P G 01098 126.483 116.945 29.365 1.00936.33 P ATOM 22361 O1P G 01098 126.297 116.935 27.895 1.00936.33 O ATOM 22362 O2P G 01098 125.564 117.759 30.208 1.00936.33 O ATOM 22363 O5* G 01098 126.497 115.441 29.905 1.00936.33 O ATOM 22364 C5* G 01098 127.372 114.436 29.331 1.00936.33 C ATOM 22365 C4* G 01098 127.506 113.268 30.288 1.00936.33 C ATOM 22366 O4* G 01098 128.359 113.618 31.407 1.00936.33 O ATOM 22367 C3* G 01098 126.178 112.817 30.881 1.00936.33 C ATOM 22368 O3* G 01098 125.656 111.736 30.121 1.00936.33 O ATOM 22369 C2* G 01098 126.541 112.389 32.294 1.00936.33 C ATOM 22370 O2* G 01098 127.049 111.069 32.318 1.00936.33 O ATOM 22371 C1* G 01098 127.677 113.364 32.621 1.00936.33 C ATOM 22372 N9 G 01098 127.322 114.664 33.181 1.00936.33 N ATOM 22373 C8 G 01098 126.226 115.434 32.872 1.00936.33 C ATOM 22374 N7 G 01098 126.222 116.588 33.482 1.00936.33 N ATOM 22375 C5 G 01098 127.379 116.576 34.251 1.00936.33 C ATOM 22376 C6 G 01098 127.927 117.573 35.104 1.00936.33 C ATOM 22377 O6 G 01098 127.508 118.709 35.331 1.00936.33 O ATOM 22378 N1 G 01098 129.099 117.138 35.710 1.00936.33 N ATOM 22379 C2 G 01098 129.680 115.907 35.513 1.00936.33 C ATOM 22380 N2 G 01098 130.795 115.663 36.216 1.00936.33 N ATOM 22381 N3 G 01098 129.196 114.983 34.695 1.00936.33 N ATOM 22382 C4 G 01098 128.053 115.383 34.102 1.00936.33 C ATOM 22383 P A 01099 124.327 111.940 29.244 1.00936.33 P ATOM 22384 O1P A 01099 124.157 110.660 28.461 1.00936.33 O ATOM 22385 O2P A 01099 124.359 113.269 28.504 1.00936.33 O ATOM 22386 O5* A 01099 123.144 112.029 30.337 1.00936.33 O ATOM 22387 C5* A 01099 122.953 113.228 31.152 1.00936.33 C ATOM 22388 C4* A 01099 122.035 112.933 32.337 1.00936.33 C ATOM 22389 O4* A 01099 120.650 112.749 31.876 1.00936.33 O ATOM 22390 C3* A 01099 122.357 111.684 33.183 1.00936.33 C ATOM 22391 O3* A 01099 121.924 111.988 34.525 1.00936.33 O ATOM 22392 C2* A 01099 121.421 110.651 32.549 1.00936.33 C ATOM 22393 O2* A 01099 121.092 109.509 33.314 1.00936.33 O ATOM 22394 C1* A 01099 120.175 111.515 32.398 1.00936.33 C ATOM 22395 N9 A 01099 119.041 110.996 31.629 1.00936.33 N ATOM 22396 C8 A 01099 118.773 109.692 31.233 1.00936.33 C ATOM 22397 N7 A 01099 117.573 109.537 30.698 1.00936.33 N ATOM 22398 C5 A 01099 117.037 110.824 30.708 1.00936.33 C ATOM 22399 C6 A 01099 115.778 111.335 30.307 1.00936.33 C ATOM 22400 N6 A 01099 114.780 110.568 29.807 1.00936.33 N ATOM 22401 N1 A 01099 115.566 112.678 30.452 1.00936.33 N ATOM 22402 C2 A 01099 116.561 113.438 30.971 1.00936.33 C ATOM 22403 N3 A 01099 117.783 113.067 31.393 1.00936.33 N ATOM 22404 C4 A 01099 117.952 111.736 31.238 1.00936.33 C ATOM 22405 P G 01100 122.287 111.014 35.767 1.00936.33 P ATOM 22406 O1P G 01100 122.078 109.578 35.445 1.00936.33 O ATOM 22407 O2P G 01100 121.557 111.612 36.916 1.00936.33 O ATOM 22408 O5* G 01100 123.846 111.234 36.011 1.00936.33 O ATOM 22409 C5* G 01100 124.835 110.516 35.250 1.00936.33 C ATOM 22410 C4* G 01100 126.215 110.942 35.683 1.00936.33 C ATOM 22411 O4* G 01100 126.352 112.369 35.442 1.00936.33 O ATOM 22412 C3* G 01100 126.520 110.736 37.162 1.00936.33 C ATOM 22413 O3* G 01100 127.904 110.471 37.324 1.00936.33 O ATOM 22414 C2* G 01100 126.166 112.088 37.772 1.00936.33 C ATOM 22415 O2* G 01100 126.867 112.359 38.968 1.00936.33 O ATOM 22416 C1* G 01100 126.590 113.047 36.661 1.00936.33 C ATOM 22417 N9 G 01100 125.821 114.288 36.641 1.00936.33 N ATOM 22418 C8 G 01100 124.632 114.520 35.990 1.00936.33 C ATOM 22419 N7 G 01100 124.225 115.754 36.096 1.00936.33 N ATOM 22420 C5 G 01100 125.195 116.375 36.871 1.00936.33 C ATOM 22421 C6 G 01100 125.312 117.728 37.293 1.00936.33 C ATOM 22422 O6 G 01100 124.580 118.682 37.027 1.00936.33 O ATOM 22423 N1 G 01100 126.435 117.920 38.087 1.00936.33 N ATOM 22424 C2 G 01100 127.338 116.942 38.425 1.00936.33 C ATOM 22425 N2 G 01100 128.344 117.322 39.231 1.00936.33 N ATOM 22426 N3 G 01100 127.261 115.687 38.012 1.00936.33 N ATOM 22427 C4 G 01100 126.171 115.476 37.245 1.00936.33 C ATOM 22428 P U 01101 128.411 108.953 37.458 1.00936.33 P ATOM 22429 O1P U 01101 128.736 108.456 36.097 1.00936.33 O ATOM 22430 O2P U 01101 127.432 108.209 38.296 1.00936.33 O ATOM 22431 O5* U 01101 129.762 109.096 38.286 1.00936.33 O ATOM 22432 C5* U 01101 130.798 108.105 38.201 1.00936.33 C ATOM 22433 C4* U 01101 132.063 108.640 38.820 1.00936.33 C ATOM 22434 O4* U 01101 132.500 109.809 38.069 1.00936.33 O ATOM 22435 C3* U 01101 131.901 109.157 40.238 1.00936.33 C ATOM 22436 O3* U 01101 131.952 108.117 41.211 1.00936.33 O ATOM 22437 C2* U 01101 133.036 110.163 40.350 1.00936.33 C ATOM 22438 O2* U 01101 134.298 109.563 40.562 1.00936.33 O ATOM 22439 C1* U 01101 132.991 110.800 38.957 1.00936.33 C ATOM 22440 N1 U 01101 132.085 111.956 38.900 1.00936.33 N ATOM 22441 C2 U 01101 132.377 113.047 39.707 1.00936.33 C ATOM 22442 O2 U 01101 133.360 113.103 40.430 1.00936.33 O ATOM 22443 N3 U 01101 131.470 114.072 39.636 1.00936.33 N ATOM 22444 C4 U 01101 130.334 114.128 38.856 1.00936.33 C ATOM 22445 O4 U 01101 129.589 115.111 38.938 1.00936.33 O ATOM 22446 C5 U 01101 130.116 112.979 38.035 1.00936.33 C ATOM 22447 C6 U 01101 130.974 111.959 38.083 1.00936.33 C ATOM 22448 P G 01102 131.113 108.265 42.577 1.00936.33 P ATOM 22449 O1P G 01102 131.303 107.005 43.346 1.00936.33 O ATOM 22450 O2P G 01102 129.736 108.727 42.250 1.00936.33 O ATOM 22451 O5* G 01102 131.857 109.442 43.352 1.00936.33 O ATOM 22452 C5* G 01102 133.248 109.325 43.709 1.00936.33 C ATOM 22453 C4* G 01102 133.641 110.427 44.658 1.00936.33 C ATOM 22454 O4* G 01102 133.601 111.704 43.971 1.00936.33 O ATOM 22455 C3* G 01102 132.719 110.626 45.851 1.00936.33 C ATOM 22456 O3* G 01102 132.973 109.657 46.872 1.00936.33 O ATOM 22457 C2* G 01102 133.032 112.070 46.249 1.00936.33 C ATOM 22458 O2* G 01102 134.239 112.209 46.978 1.00936.33 O ATOM 22459 C1* G 01102 133.209 112.722 44.877 1.00936.33 C ATOM 22460 N9 G 01102 131.989 113.349 44.373 1.00936.33 N ATOM 22461 C8 G 01102 130.963 112.750 43.682 1.00936.33 C ATOM 22462 N7 G 01102 130.013 113.580 43.351 1.00936.33 N ATOM 22463 C5 G 01102 130.437 114.805 43.850 1.00936.33 C ATOM 22464 C6 G 01102 129.825 116.087 43.792 1.00936.33 C ATOM 22465 O6 G 01102 128.757 116.408 43.258 1.00936.33 O ATOM 22466 N1 G 01102 130.595 117.050 44.438 1.00936.33 N ATOM 22467 C2 G 01102 131.798 116.814 45.055 1.00936.33 C ATOM 22468 N2 G 01102 132.389 117.871 45.626 1.00936.33 N ATOM 22469 N3 G 01102 132.382 115.630 45.109 1.00936.33 N ATOM 22470 C4 G 01102 131.651 114.678 44.492 1.00936.33 C ATOM 22471 P C 01103 132.072 109.641 48.212 1.00936.33 P ATOM 22472 O1P C 01103 132.740 108.682 49.173 1.00936.33 O ATOM 22473 O2P C 01103 130.615 109.445 47.848 1.00936.33 O ATOM 22474 O5* C 01103 132.264 111.128 48.771 1.00936.33 O ATOM 22475 C5* C 01103 131.246 111.773 49.544 1.00936.33 C ATOM 22476 C4* C 01103 131.704 113.158 49.937 1.00936.33 C ATOM 22477 O4* C 01103 131.836 113.996 48.753 1.00936.33 O ATOM 22478 C3* C 01103 130.723 113.914 50.816 1.00936.33 C ATOM 22479 O3* C 01103 130.868 113.524 52.192 1.00936.33 O ATOM 22480 C2* C 01103 131.145 115.359 50.572 1.00936.33 C ATOM 22481 O2* C 01103 132.341 115.666 51.277 1.00936.33 O ATOM 22482 C1* C 01103 131.436 115.334 49.064 1.00936.33 C ATOM 22483 N1 C 01103 130.238 115.687 48.253 1.00936.33 N ATOM 22484 C2 C 01103 129.694 117.011 48.345 1.00936.33 C ATOM 22485 O2 C 01103 130.244 117.857 49.092 1.00936.33 O ATOM 22486 N3 C 01103 128.586 117.323 47.620 1.00936.33 N ATOM 22487 C4 C 01103 128.012 116.395 46.835 1.00936.33 C ATOM 22488 N4 C 01103 126.908 116.749 46.146 1.00936.33 N ATOM 22489 C5 C 01103 128.539 115.062 46.717 1.00936.33 C ATOM 22490 C6 C 01103 129.644 114.759 47.430 1.00936.33 C ATOM 22491 P G 01104 129.565 113.138 53.054 1.00936.33 P ATOM 22492 O1P G 01104 130.018 112.939 54.458 1.00936.33 O ATOM 22493 O2P G 01104 128.845 112.043 52.354 1.00936.33 O ATOM 22494 O5* G 01104 128.675 114.460 53.000 1.00936.33 O ATOM 22495 C5* G 01104 129.226 115.735 53.386 1.00936.33 C ATOM 22496 C4* G 01104 128.265 116.851 53.056 1.00936.33 C ATOM 22497 O4* G 01104 128.270 117.124 51.629 1.00936.33 O ATOM 22498 C3* G 01104 126.805 116.562 53.360 1.00936.33 C ATOM 22499 O3* G 01104 126.483 116.639 54.744 1.00936.33 O ATOM 22500 C2* G 01104 126.097 117.581 52.476 1.00936.33 C ATOM 22501 O2* G 01104 126.090 118.894 53.004 1.00936.33 O ATOM 22502 C1* G 01104 126.964 117.509 51.213 1.00936.33 C ATOM 22503 N9 G 01104 126.454 116.484 50.304 1.00936.33 N ATOM 22504 C8 G 01104 126.904 115.190 50.175 1.00936.33 C ATOM 22505 N7 G 01104 126.198 114.481 49.335 1.00936.33 N ATOM 22506 C5 G 01104 125.234 115.364 48.865 1.00936.33 C ATOM 22507 C6 G 01104 124.167 115.164 47.939 1.00936.33 C ATOM 22508 O6 G 01104 123.839 114.124 47.345 1.00936.33 O ATOM 22509 N1 G 01104 123.441 116.337 47.739 1.00936.33 N ATOM 22510 C2 G 01104 123.692 117.539 48.352 1.00936.33 C ATOM 22511 N2 G 01104 122.890 118.555 48.009 1.00936.33 N ATOM 22512 N3 G 01104 124.663 117.733 49.231 1.00936.33 N ATOM 22513 C4 G 01104 125.392 116.613 49.436 1.00936.33 C ATOM 22514 P U 01105 125.351 115.669 55.348 1.00936.33 P ATOM 22515 O1P U 01105 125.433 115.717 56.831 1.00936.33 O ATOM 22516 O2P U 01105 125.446 114.353 54.652 1.00936.33 O ATOM 22517 O5* U 01105 123.993 116.362 54.892 1.00936.33 O ATOM 22518 C5* U 01105 123.749 117.759 55.166 1.00936.33 C ATOM 22519 C4* U 01105 122.434 118.191 54.561 1.00936.33 C ATOM 22520 O4* U 01105 122.522 118.165 53.110 1.00936.33 O ATOM 22521 C3* U 01105 121.244 117.297 54.872 1.00936.33 C ATOM 22522 O3* U 01105 120.697 117.550 56.164 1.00936.33 O ATOM 22523 C2* U 01105 120.287 117.637 53.737 1.00936.33 C ATOM 22524 O2* U 01105 119.602 118.859 53.934 1.00936.33 O ATOM 22525 C1* U 01105 121.261 117.793 52.566 1.00936.33 C ATOM 22526 N1 U 01105 121.424 116.561 51.770 1.00936.33 N ATOM 22527 C2 U 01105 120.534 116.348 50.727 1.00936.33 C ATOM 22528 O2 U 01105 119.630 117.118 50.453 1.00936.33 O ATOM 22529 N3 U 01105 120.741 115.190 50.014 1.00936.33 N ATOM 22530 C4 U 01105 121.718 114.241 50.231 1.00936.33 C ATOM 22531 O4 U 01105 121.798 113.271 49.474 1.00936.33 O ATOM 22532 C5 U 01105 122.590 114.524 51.331 1.00936.33 C ATOM 22533 C6 U 01105 122.421 115.645 52.045 1.00936.33 C ATOM 22534 P A 01106 120.278 116.318 57.110 1.00936.33 P ATOM 22535 O1P A 01106 119.652 116.874 58.337 1.00936.33 O ATOM 22536 O2P A 01106 121.449 115.405 57.228 1.00936.33 O ATOM 22537 O5* A 01106 119.146 115.563 56.277 1.00936.33 O ATOM 22538 C5* A 01106 118.730 114.230 56.632 1.00936.33 C ATOM 22539 C4* A 01106 117.348 113.953 56.087 1.00936.33 C ATOM 22540 O4* A 01106 116.388 114.825 56.738 1.00936.33 O ATOM 22541 C3* A 01106 117.164 114.232 54.606 1.00936.33 C ATOM 22542 O3* A 01106 117.612 113.134 53.821 1.00936.33 O ATOM 22543 C2* A 01106 115.661 114.459 54.501 1.00936.33 C ATOM 22544 O2* A 01106 114.926 113.249 54.482 1.00936.33 O ATOM 22545 C1* A 01106 115.374 115.193 55.815 1.00936.33 C ATOM 22546 N9 A 01106 115.346 116.656 55.720 1.00936.33 N ATOM 22547 C8 A 01106 116.350 117.544 56.042 1.00936.33 C ATOM 22548 N7 A 01106 116.013 118.801 55.892 1.00936.33 N ATOM 22549 C5 A 01106 114.703 118.744 55.429 1.00936.33 C ATOM 22550 C6 A 01106 113.775 119.746 55.080 1.00936.33 C ATOM 22551 N6 A 01106 114.031 121.055 55.153 1.00936.33 N ATOM 22552 N1 A 01106 112.556 119.350 54.649 1.00936.33 N ATOM 22553 C2 A 01106 112.296 118.039 54.581 1.00936.33 C ATOM 22554 N3 A 01106 113.079 117.006 54.884 1.00936.33 N ATOM 22555 C4 A 01106 114.284 117.429 55.308 1.00936.33 C ATOM 22556 P A 01107 118.709 113.370 52.671 1.00936.33 P ATOM 22557 O1P A 01107 119.183 112.024 52.248 1.00936.33 O ATOM 22558 O2P A 01107 119.692 114.375 53.159 1.00936.33 O ATOM 22559 O5* A 01107 117.880 114.015 51.471 1.00936.33 O ATOM 22560 C5* A 01107 116.937 113.225 50.718 1.00936.33 C ATOM 22561 C4* A 01107 115.853 114.107 50.139 1.00936.33 C ATOM 22562 O4* A 01107 115.172 114.802 51.221 1.00936.33 O ATOM 22563 C3* A 01107 116.313 115.234 49.226 1.00936.33 C ATOM 22564 O3* A 01107 116.601 114.804 47.895 1.00936.33 O ATOM 22565 C2* A 01107 115.139 116.203 49.305 1.00936.33 C ATOM 22566 O2* A 01107 114.023 115.820 48.521 1.00936.33 O ATOM 22567 C1* A 01107 114.778 116.098 50.787 1.00936.33 C ATOM 22568 N9 A 01107 115.491 117.094 51.591 1.00936.33 N ATOM 22569 C8 A 01107 116.587 116.904 52.400 1.00936.33 C ATOM 22570 N7 A 01107 117.015 117.997 52.977 1.00936.33 N ATOM 22571 C5 A 01107 116.142 118.978 52.523 1.00936.33 C ATOM 22572 C6 A 01107 116.054 120.357 52.779 1.00936.33 C ATOM 22573 N6 A 01107 116.884 121.014 53.590 1.00936.33 N ATOM 22574 N1 A 01107 115.065 121.046 52.166 1.00936.33 N ATOM 22575 C2 A 01107 114.225 120.386 51.364 1.00936.33 C ATOM 22576 N3 A 01107 114.200 119.090 51.052 1.00936.33 N ATOM 22577 C4 A 01107 115.198 118.434 51.673 1.00936.33 C ATOM 22578 P U 01108 117.704 115.591 47.030 1.00936.33 P ATOM 22579 O1P U 01108 117.608 115.090 45.633 1.00936.33 O ATOM 22580 O2P U 01108 119.000 115.499 47.751 1.00936.33 O ATOM 22581 O5* U 01108 117.199 117.105 47.072 1.00936.33 O ATOM 22582 C5* U 01108 118.073 118.213 46.746 1.00936.33 C ATOM 22583 C4* U 01108 117.301 119.520 46.778 1.00936.33 C ATOM 22584 O4* U 01108 116.758 119.740 48.110 1.00936.33 O ATOM 22585 C3* U 01108 118.108 120.779 46.506 1.00936.33 C ATOM 22586 O3* U 01108 118.294 121.007 45.112 1.00936.33 O ATOM 22587 C2* U 01108 117.253 121.861 47.154 1.00936.33 C ATOM 22588 O2* U 01108 116.150 122.261 46.361 1.00936.33 O ATOM 22589 C1* U 01108 116.745 121.134 48.399 1.00936.33 C ATOM 22590 N1 U 01108 117.567 121.383 49.592 1.00936.33 N ATOM 22591 C2 U 01108 117.284 122.511 50.347 1.00936.33 C ATOM 22592 O2 U 01108 116.367 123.278 50.091 1.00936.33 O ATOM 22593 N3 U 01108 118.115 122.710 51.419 1.00936.33 N ATOM 22594 C4 U 01108 119.171 121.915 51.814 1.00936.33 C ATOM 22595 O4 U 01108 119.859 122.254 52.782 1.00936.33 O ATOM 22596 C5 U 01108 119.384 120.760 50.998 1.00936.33 C ATOM 22597 C6 U 01108 118.599 120.539 49.944 1.00936.33 C ATOM 22598 P A 01109 119.755 121.394 44.554 1.00936.33 P ATOM 22599 O1P A 01109 119.593 121.834 43.140 1.00936.33 O ATOM 22600 O2P A 01109 120.667 120.262 44.872 1.00936.33 O ATOM 22601 O5* A 01109 120.196 122.653 45.429 1.00936.33 O ATOM 22602 C5* A 01109 119.419 123.869 45.440 1.00936.33 C ATOM 22603 C4* A 01109 119.893 124.785 46.547 1.00936.33 C ATOM 22604 O4* A 01109 119.747 124.112 47.826 1.00936.33 O ATOM 22605 C3* A 01109 121.364 125.165 46.503 1.00936.33 C ATOM 22606 O3* A 01109 121.610 126.248 45.612 1.00936.33 O ATOM 22607 C2* A 01109 121.645 125.539 47.954 1.00936.33 C ATOM 22608 O2* A 01109 121.189 126.834 48.290 1.00936.33 O ATOM 22609 C1* A 01109 120.801 124.497 48.696 1.00936.33 C ATOM 22610 N9 A 01109 121.562 123.300 49.072 1.00936.33 N ATOM 22611 C8 A 01109 121.642 122.100 48.406 1.00936.33 C ATOM 22612 N7 A 01109 122.409 121.218 48.997 1.00936.33 N ATOM 22613 C5 A 01109 122.868 121.878 50.128 1.00936.33 C ATOM 22614 C6 A 01109 123.724 121.485 51.176 1.00936.33 C ATOM 22615 N6 A 01109 124.292 120.277 51.255 1.00936.33 N ATOM 22616 N1 A 01109 123.979 122.383 52.151 1.00936.33 N ATOM 22617 C2 A 01109 123.409 123.591 52.073 1.00936.33 C ATOM 22618 N3 A 01109 122.587 124.079 51.144 1.00936.33 N ATOM 22619 C4 A 01109 122.352 123.162 50.188 1.00936.33 C ATOM 22620 P G 01110 122.993 126.303 44.786 1.00936.33 P ATOM 22621 O1P G 01110 123.116 127.668 44.208 1.00936.33 O ATOM 22622 O2P G 01110 123.050 125.119 43.889 1.00936.33 O ATOM 22623 O5* G 01110 124.117 126.130 45.901 1.00936.33 O ATOM 22624 C5* G 01110 124.363 127.155 46.888 1.00936.33 C ATOM 22625 C4* G 01110 125.420 126.688 47.863 1.00936.33 C ATOM 22626 O4* G 01110 124.927 125.528 48.580 1.00936.33 O ATOM 22627 C3* G 01110 126.707 126.205 47.216 1.00936.33 C ATOM 22628 O3* G 01110 127.588 127.281 46.909 1.00936.33 O ATOM 22629 C2* G 01110 127.269 125.249 48.260 1.00936.33 C ATOM 22630 O2* G 01110 127.946 125.890 49.323 1.00936.33 O ATOM 22631 C1* G 01110 125.986 124.604 48.785 1.00936.33 C ATOM 22632 N9 G 01110 125.655 123.364 48.088 1.00936.33 N ATOM 22633 C8 G 01110 124.685 123.185 47.128 1.00936.33 C ATOM 22634 N7 G 01110 124.626 121.961 46.684 1.00936.33 N ATOM 22635 C5 G 01110 125.616 121.289 47.389 1.00936.33 C ATOM 22636 C6 G 01110 126.027 119.934 47.331 1.00936.33 C ATOM 22637 O6 G 01110 125.587 119.028 46.618 1.00936.33 O ATOM 22638 N1 G 01110 127.065 119.676 48.221 1.00936.33 N ATOM 22639 C2 G 01110 127.642 120.600 49.057 1.00936.33 C ATOM 22640 N2 G 01110 128.632 120.155 49.844 1.00936.33 N ATOM 22641 N3 G 01110 127.273 121.871 49.114 1.00936.33 N ATOM 22642 C4 G 01110 126.260 122.143 48.261 1.00936.33 C ATOM 22643 P C 01111 128.705 127.090 45.771 1.00936.33 P ATOM 22644 O1P C 01111 129.539 128.324 45.739 1.00936.33 O ATOM 22645 O2P C 01111 128.024 126.630 44.532 1.00936.33 O ATOM 22646 O5* C 01111 129.598 125.888 46.321 1.00936.33 O ATOM 22647 C5* C 01111 130.486 126.081 47.443 1.00936.33 C ATOM 22648 C4* C 01111 131.444 124.915 47.571 1.00936.33 C ATOM 22649 O4* C 01111 130.709 123.727 47.975 1.00936.33 O ATOM 22650 C3* C 01111 132.149 124.507 46.288 1.00936.33 C ATOM 22651 O3* C 01111 133.318 125.274 45.958 1.00936.33 O ATOM 22652 C2* C 01111 132.475 123.043 46.530 1.00936.33 C ATOM 22653 O2* C 01111 133.638 122.900 47.312 1.00936.33 O ATOM 22654 C1* C 01111 131.242 122.587 47.316 1.00936.33 C ATOM 22655 N1 C 01111 130.185 122.009 46.460 1.00936.33 N ATOM 22656 C2 C 01111 130.208 120.631 46.181 1.00936.33 C ATOM 22657 O2 C 01111 131.110 119.927 46.666 1.00936.33 O ATOM 22658 N3 C 01111 129.243 120.103 45.386 1.00936.33 N ATOM 22659 C4 C 01111 128.287 120.893 44.882 1.00936.33 C ATOM 22660 N4 C 01111 127.364 120.336 44.095 1.00936.33 N ATOM 22661 C5 C 01111 128.239 122.292 45.157 1.00936.33 C ATOM 22662 C6 C 01111 129.196 122.802 45.942 1.00936.33 C ATOM 22663 P U 01112 133.672 125.508 44.406 1.00936.33 P ATOM 22664 O1P U 01112 134.095 126.908 44.099 1.00936.33 O ATOM 22665 O2P U 01112 132.429 124.982 43.807 1.00936.33 O ATOM 22666 O5* U 01112 134.863 124.492 44.076 1.00936.33 O ATOM 22667 C5* U 01112 134.845 123.730 42.840 1.00936.33 C ATOM 22668 C4* U 01112 135.062 122.286 43.136 1.00936.33 C ATOM 22669 O4* U 01112 134.005 121.728 43.920 1.00936.33 O ATOM 22670 C3* U 01112 135.137 121.388 41.954 1.00936.33 C ATOM 22671 O3* U 01112 136.477 121.311 41.873 1.00936.33 O ATOM 22672 C2* U 01112 134.818 120.040 42.474 1.00936.33 C ATOM 22673 O2* U 01112 135.938 119.491 43.147 1.00936.33 O ATOM 22674 C1* U 01112 133.760 120.397 43.500 1.00936.33 C ATOM 22675 N1 U 01112 132.392 120.260 42.986 1.00936.33 N ATOM 22676 C2 U 01112 132.058 119.045 42.419 1.00936.33 C ATOM 22677 O2 U 01112 132.847 118.125 42.329 1.00936.33 O ATOM 22678 N3 U 01112 130.772 118.941 41.958 1.00936.33 N ATOM 22679 C4 U 01112 129.786 119.907 41.989 1.00936.33 C ATOM 22680 O4 U 01112 128.663 119.652 41.534 1.00936.33 O ATOM 22681 C5 U 01112 130.198 121.145 42.585 1.00936.33 C ATOM 22682 C6 U 01112 131.453 121.274 43.055 1.00936.33 C ATOM 22683 P C 01113 137.174 121.527 40.390 1.00936.33 P ATOM 22684 O1P C 01113 138.306 122.502 40.401 1.00936.33 O ATOM 22685 O2P C 01113 136.066 121.852 39.297 1.00936.33 O ATOM 22686 O5* C 01113 137.609 120.042 40.170 1.00936.33 O ATOM 22687 C5* C 01113 136.526 119.173 39.957 1.00936.33 C ATOM 22688 C4* C 01113 137.030 117.798 39.750 1.00936.33 C ATOM 22689 O4* C 01113 136.003 116.882 40.177 1.00936.33 O ATOM 22690 C3* C 01113 137.033 117.607 38.269 1.00936.33 C ATOM 22691 O3* C 01113 138.200 118.023 37.751 1.00936.33 O ATOM 22692 C2* C 01113 136.692 116.159 38.048 1.00936.33 C ATOM 22693 O2* C 01113 137.715 115.189 38.199 1.00936.33 O ATOM 22694 C1* C 01113 135.632 116.010 39.115 1.00936.33 C ATOM 22695 N1 C 01113 134.269 116.344 38.663 1.00936.33 N ATOM 22696 C2 C 01113 133.614 115.448 37.808 1.00936.33 C ATOM 22697 O2 C 01113 134.225 114.452 37.411 1.00936.33 O ATOM 22698 N3 C 01113 132.337 115.697 37.437 1.00936.33 N ATOM 22699 C4 C 01113 131.713 116.791 37.883 1.00936.33 C ATOM 22700 N4 C 01113 130.438 116.969 37.535 1.00936.33 N ATOM 22701 C5 C 01113 132.373 117.747 38.721 1.00936.33 C ATOM 22702 C6 C 01113 133.637 117.485 39.081 1.00936.33 C ATOM 22703 P A 01114 139.200 116.723 35.544 1.00936.33 P ATOM 22704 O1P A 01114 140.421 116.048 35.031 1.00936.33 O ATOM 22705 O2P A 01114 139.286 118.125 36.024 1.00936.33 O ATOM 22706 O5* A 01114 138.078 116.654 34.414 1.00936.33 O ATOM 22707 C5* A 01114 137.793 115.431 33.733 1.00936.33 C ATOM 22708 C4* A 01114 136.790 115.668 32.628 1.00936.33 C ATOM 22709 O4* A 01114 135.532 116.107 33.208 1.00936.33 O ATOM 22710 C3* A 01114 137.148 116.763 31.636 1.00936.33 C ATOM 22711 O3* A 01114 138.004 116.268 30.612 1.00936.33 O ATOM 22712 C2* A 01114 135.781 117.167 31.093 1.00936.33 C ATOM 22713 O2* A 01114 135.298 116.291 30.094 1.00936.33 O ATOM 22714 C1* A 01114 134.914 117.053 32.350 1.00936.33 C ATOM 22715 N9 A 01114 134.777 118.317 33.076 1.00936.33 N ATOM 22716 C8 A 01114 135.631 118.852 34.012 1.00936.33 C ATOM 22717 N7 A 01114 135.235 120.008 34.488 1.00936.33 N ATOM 22718 C5 A 01114 134.042 120.252 33.823 1.00936.33 C ATOM 22719 C6 A 01114 133.126 121.319 33.882 1.00936.33 C ATOM 22720 N6 A 01114 133.280 122.383 34.674 1.00936.33 N ATOM 22721 N1 A 01114 132.036 121.254 33.089 1.00936.33 N ATOM 22722 C2 A 01114 131.885 120.187 32.294 1.00936.33 C ATOM 22723 N3 A 01114 132.673 119.124 32.149 1.00936.33 N ATOM 22724 C4 A 01114 133.747 119.219 32.950 1.00936.33 C ATOM 22725 P C 01115 139.133 117.229 29.984 1.00936.33 P ATOM 22726 O1P C 01115 139.918 116.412 29.022 1.00936.33 O ATOM 22727 O2P C 01115 139.832 117.923 31.094 1.00936.33 O ATOM 22728 O5* C 01115 138.305 118.313 29.162 1.00936.33 O ATOM 22729 C5* C 01115 137.658 117.969 27.938 1.00936.33 C ATOM 22730 C4* C 01115 136.972 119.179 27.345 1.00936.33 C ATOM 22731 O4* C 01115 135.900 119.609 28.224 1.00936.33 O ATOM 22732 C3* C 01115 137.833 120.420 27.175 1.00936.33 C ATOM 22733 O3* C 01115 138.593 120.363 25.970 1.00936.33 O ATOM 22734 C2* C 01115 136.792 121.533 27.142 1.00936.33 C ATOM 22735 O2* C 01115 136.179 121.681 25.876 1.00936.33 O ATOM 22736 C1* C 01115 135.767 121.021 28.157 1.00936.33 C ATOM 22737 N1 C 01115 135.946 121.584 29.511 1.00936.33 N ATOM 22738 C2 C 01115 135.338 122.812 29.820 1.00936.33 C ATOM 22739 O2 C 01115 134.662 123.389 28.953 1.00936.33 O ATOM 22740 N3 C 01115 135.502 123.336 31.056 1.00936.33 N ATOM 22741 C4 C 01115 136.236 122.690 31.966 1.00936.33 C ATOM 22742 N4 C 01115 136.369 123.250 33.172 1.00936.33 N ATOM 22743 C5 C 01115 136.862 121.441 31.680 1.00936.33 C ATOM 22744 C6 C 01115 136.695 120.929 30.453 1.00936.33 C ATOM 22745 P U 01116 139.979 121.168 25.862 1.00936.33 P ATOM 22746 O1P U 01116 140.603 120.794 24.565 1.00936.33 O ATOM 22747 O2P U 01116 140.741 120.972 27.122 1.00936.33 O ATOM 22748 O5* U 01116 139.532 122.695 25.781 1.00936.33 O ATOM 22749 C5* U 01116 138.858 123.200 24.631 1.00936.33 C ATOM 22750 C4* U 01116 138.597 124.683 24.779 1.00936.33 C ATOM 22751 O4* U 01116 137.683 124.906 25.883 1.00936.33 O ATOM 22752 C3* U 01116 139.804 125.545 25.113 1.00936.33 C ATOM 22753 O3* U 01116 140.536 125.875 23.937 1.00936.33 O ATOM 22754 C2* U 01116 139.159 126.771 25.748 1.00936.33 C ATOM 22755 O2* U 01116 138.663 127.694 24.799 1.00936.33 O ATOM 22756 C1* U 01116 137.990 126.140 26.515 1.00936.33 C ATOM 22757 N1 U 01116 138.281 125.890 27.937 1.00936.33 N ATOM 22758 C2 U 01116 138.024 126.911 28.841 1.00936.33 C ATOM 22759 O2 U 01116 137.570 127.997 28.510 1.00936.33 O ATOM 22760 N3 U 01116 138.315 126.616 30.149 1.00936.33 N ATOM 22761 C4 U 01116 138.828 125.433 30.640 1.00936.33 C ATOM 22762 O4 U 01116 139.037 125.319 31.850 1.00936.33 O ATOM 22763 C5 U 01116 139.071 124.430 29.652 1.00936.33 C ATOM 22764 C6 U 01116 138.796 124.684 28.366 1.00936.33 C ATOM 22765 P G 01117 142.807 127.899 23.327 1.00936.33 P ATOM 22766 O1P G 01117 143.380 127.806 21.960 1.00936.33 O ATOM 22767 O2P G 01117 143.265 126.960 24.379 1.00936.33 O ATOM 22768 O5* G 01117 143.011 129.383 23.862 1.00936.33 O ATOM 22769 C5* G 01117 142.731 130.504 23.021 1.00936.33 C ATOM 22770 C4* G 01117 142.929 131.785 23.781 1.00936.33 C ATOM 22771 O4* G 01117 141.967 131.851 24.869 1.00936.33 O ATOM 22772 C3* G 01117 144.264 131.935 24.484 1.00936.33 C ATOM 22773 O3* G 01117 145.316 132.330 23.625 1.00936.33 O ATOM 22774 C2* G 01117 143.939 132.990 25.526 1.00936.33 C ATOM 22775 O2* G 01117 143.866 134.287 24.976 1.00936.33 O ATOM 22776 C1* G 01117 142.551 132.532 25.975 1.00936.33 C ATOM 22777 N9 G 01117 142.675 131.594 27.087 1.00936.33 N ATOM 22778 C8 G 01117 142.479 130.234 27.065 1.00936.33 C ATOM 22779 N7 G 01117 142.728 129.659 28.208 1.00936.33 N ATOM 22780 C5 G 01117 143.104 130.703 29.041 1.00936.33 C ATOM 22781 C6 G 01117 143.502 130.692 30.394 1.00936.33 C ATOM 22782 O6 G 01117 143.617 129.721 31.153 1.00936.33 O ATOM 22783 N1 G 01117 143.789 131.976 30.853 1.00936.33 N ATOM 22784 C2 G 01117 143.705 133.121 30.099 1.00936.33 C ATOM 22785 N2 G 01117 144.015 134.266 30.722 1.00936.33 N ATOM 22786 N3 G 01117 143.346 133.140 28.829 1.00936.33 N ATOM 22787 C4 G 01117 143.060 131.905 28.369 1.00936.33 C ATOM 22788 P G 01118 146.831 131.979 24.023 1.00936.33 P ATOM 22789 O1P G 01118 147.727 132.360 22.901 1.00936.33 O ATOM 22790 O2P G 01118 146.844 130.582 24.531 1.00936.33 O ATOM 22791 O5* G 01118 147.138 132.950 25.242 1.00936.33 O ATOM 22792 C5* G 01118 147.059 134.372 25.083 1.00936.33 C ATOM 22793 C4* G 01118 147.390 135.052 26.384 1.00936.33 C ATOM 22794 O4* G 01118 146.430 134.637 27.394 1.00936.33 O ATOM 22795 C3* G 01118 148.736 134.681 26.984 1.00936.33 C ATOM 22796 O3* G 01118 149.795 135.439 26.395 1.00936.33 O ATOM 22797 C2* G 01118 148.525 134.996 28.459 1.00936.33 C ATOM 22798 O2* G 01118 148.624 136.373 28.752 1.00936.33 O ATOM 22799 C1* G 01118 147.069 134.555 28.656 1.00936.33 C ATOM 22800 N9 G 01118 146.922 133.195 29.166 1.00936.33 N ATOM 22801 C8 G 01118 146.534 132.080 28.458 1.00936.33 C ATOM 22802 N7 G 01118 146.468 131.001 29.192 1.00936.33 N ATOM 22803 C5 G 01118 146.840 131.426 30.462 1.00936.33 C ATOM 22804 C6 G 01118 146.946 130.702 31.677 1.00936.33 C ATOM 22805 O6 G 01118 146.709 129.506 31.881 1.00936.33 O ATOM 22806 N1 G 01118 147.365 131.517 32.722 1.00936.33 N ATOM 22807 C2 G 01118 147.638 132.859 32.619 1.00936.33 C ATOM 22808 N2 G 01118 148.028 133.474 33.745 1.00936.33 N ATOM 22809 N3 G 01118 147.534 133.549 31.493 1.00936.33 N ATOM 22810 C4 G 01118 147.134 132.774 30.461 1.00936.33 C ATOM 22811 P U 01119 151.315 134.911 26.490 1.00936.33 P ATOM 22812 O1P U 01119 152.207 135.912 25.858 1.00936.33 O ATOM 22813 O2P U 01119 151.352 133.499 26.024 1.00936.33 O ATOM 22814 O5* U 01119 151.625 134.930 28.054 1.00936.33 O ATOM 22815 C5* U 01119 151.643 136.171 28.790 1.00936.33 C ATOM 22816 C4* U 01119 151.971 135.910 30.239 1.00936.33 C ATOM 22817 O4* U 01119 150.894 135.165 30.866 1.00936.33 O ATOM 22818 C3* U 01119 153.202 135.054 30.471 1.00936.33 C ATOM 22819 O3* U 01119 154.388 135.830 30.408 1.00936.33 O ATOM 22820 C2* U 01119 152.946 134.487 31.859 1.00936.33 C ATOM 22821 O2* U 01119 153.244 135.412 32.886 1.00936.33 O ATOM 22822 C1* U 01119 151.432 134.260 31.815 1.00936.33 C ATOM 22823 N1 U 01119 151.034 132.894 31.441 1.00936.33 N ATOM 22824 C2 U 01119 151.059 131.921 32.431 1.00936.33 C ATOM 22825 O2 U 01119 151.355 132.154 33.594 1.00936.33 O ATOM 22826 N3 U 01119 150.718 130.663 32.008 1.00936.33 N ATOM 22827 C4 U 01119 150.357 130.280 30.732 1.00936.33 C ATOM 22828 O4 U 01119 150.121 129.092 30.498 1.00936.33 O ATOM 22829 C5 U 01119 150.335 131.344 29.775 1.00936.33 C ATOM 22830 C6 U 01119 150.667 132.580 30.153 1.00936.33 C ATOM 22831 P C 01120 154.892 136.394 28.109 1.00737.35 P ATOM 22832 O1P C 01120 155.983 137.313 27.693 1.00737.35 O ATOM 22833 O2P C 01120 154.381 135.382 27.149 1.00737.35 O ATOM 22834 O5* C 01120 155.354 135.640 29.434 1.00737.35 O ATOM 22835 C5* C 01120 156.254 134.535 29.375 1.00737.35 C ATOM 22836 C4* C 01120 156.534 134.015 30.767 1.00737.35 C ATOM 22837 O4* C 01120 155.278 133.710 31.424 1.00737.35 O ATOM 22838 C3* C 01120 157.320 132.717 30.832 1.00737.35 C ATOM 22839 O3* C 01120 158.723 132.969 30.772 1.00737.35 O ATOM 22840 C2* C 01120 156.913 132.156 32.190 1.00737.35 C ATOM 22841 O2* C 01120 157.637 132.726 33.265 1.00737.35 O ATOM 22842 C1* C 01120 155.445 132.585 32.275 1.00737.35 C ATOM 22843 N1 C 01120 154.490 131.535 31.868 1.00737.35 N ATOM 22844 C2 C 01120 154.001 130.648 32.846 1.00737.35 C ATOM 22845 O2 C 01120 154.384 130.770 34.022 1.00737.35 O ATOM 22846 N3 C 01120 153.126 129.682 32.482 1.00737.35 N ATOM 22847 C4 C 01120 152.735 129.580 31.210 1.00737.35 C ATOM 22848 N4 C 01120 151.870 128.613 30.898 1.00737.35 N ATOM 22849 C5 C 01120 153.213 130.465 30.199 1.00737.35 C ATOM 22850 C6 C 01120 154.080 131.417 30.568 1.00737.35 C ATOM 22851 P G 01121 159.613 132.270 29.627 1.00737.35 P ATOM 22852 O1P G 01121 161.043 132.409 30.005 1.00737.35 O ATOM 22853 O2P G 01121 159.147 132.798 28.321 1.00737.35 O ATOM 22854 O5* G 01121 159.220 130.728 29.704 1.00737.35 O ATOM 22855 C5* G 01121 159.485 129.956 30.874 1.00737.35 C ATOM 22856 C4* G 01121 158.771 128.626 30.793 1.00737.35 C ATOM 22857 O4* G 01121 157.341 128.862 30.716 1.00737.35 O ATOM 22858 C3* G 01121 159.083 127.790 29.558 1.00737.35 C ATOM 22859 O3* G 01121 160.252 126.997 29.742 1.00737.35 O ATOM 22860 C2* G 01121 157.834 126.929 29.426 1.00737.35 C ATOM 22861 O2* G 01121 157.836 125.810 30.290 1.00737.35 O ATOM 22862 C1* G 01121 156.740 127.913 29.850 1.00737.35 C ATOM 22863 N9 G 01121 156.136 128.627 28.730 1.00737.35 N ATOM 22864 C8 G 01121 156.605 129.766 28.118 1.00737.35 C ATOM 22865 N7 G 01121 155.847 130.172 27.138 1.00737.35 N ATOM 22866 C5 G 01121 154.812 129.247 27.096 1.00737.35 C ATOM 22867 C6 G 01121 153.684 129.166 26.238 1.00737.35 C ATOM 22868 O6 G 01121 153.366 129.923 25.312 1.00737.35 O ATOM 22869 N1 G 01121 152.887 128.070 26.544 1.00737.35 N ATOM 22870 C2 G 01121 153.139 127.164 27.544 1.00737.35 C ATOM 22871 N2 G 01121 152.248 126.172 27.683 1.00737.35 N ATOM 22872 N3 G 01121 154.185 127.228 28.352 1.00737.35 N ATOM 22873 C4 G 01121 154.974 128.287 28.073 1.00737.35 C ATOM 22874 P A 01122 161.393 126.985 28.609 1.00737.35 P ATOM 22875 O1P A 01122 162.390 128.028 28.953 1.00737.35 O ATOM 22876 O2P A 01122 160.716 127.025 27.286 1.00737.35 O ATOM 22877 O5* A 01122 162.093 125.561 28.767 1.00737.35 O ATOM 22878 C5* A 01122 161.333 124.353 28.711 1.00737.35 C ATOM 22879 C4* A 01122 161.535 123.670 27.377 1.00737.35 C ATOM 22880 O4* A 01122 161.012 124.524 26.329 1.00737.35 O ATOM 22881 C3* A 01122 162.980 123.409 26.978 1.00737.35 C ATOM 22882 O3* A 01122 163.437 122.164 27.506 1.00737.35 O ATOM 22883 C2* A 01122 162.901 123.372 25.457 1.00737.35 C ATOM 22884 O2* A 01122 162.469 122.124 24.951 1.00737.35 O ATOM 22885 C1* A 01122 161.835 124.437 25.180 1.00737.35 C ATOM 22886 N9 A 01122 162.370 125.772 24.901 1.00737.35 N ATOM 22887 C8 A 01122 163.258 126.507 25.653 1.00737.35 C ATOM 22888 N7 A 01122 163.541 127.679 25.139 1.00737.35 N ATOM 22889 C5 A 01122 162.793 127.720 23.970 1.00737.35 C ATOM 22890 C6 A 01122 162.652 128.701 22.973 1.00737.35 C ATOM 22891 N6 A 01122 163.289 129.875 22.994 1.00737.35 N ATOM 22892 N1 A 01122 161.825 128.432 21.937 1.00737.35 N ATOM 22893 C2 A 01122 161.190 127.254 21.919 1.00737.35 C ATOM 22894 N3 A 01122 161.240 126.254 22.796 1.00737.35 N ATOM 22895 C4 A 01122 162.068 126.553 23.811 1.00737.35 C ATOM 22896 P G 01123 164.731 122.120 28.459 1.00737.35 P ATOM 22897 O1P G 01123 165.376 123.459 28.475 1.00737.35 O ATOM 22898 O2P G 01123 165.525 120.929 28.061 1.00737.35 O ATOM 22899 O5* G 01123 164.120 121.854 29.909 1.00737.35 O ATOM 22900 C5* G 01123 163.744 120.539 30.323 1.00737.35 C ATOM 22901 C4* G 01123 162.243 120.449 30.475 1.00737.35 C ATOM 22902 O4* G 01123 161.624 120.697 29.185 1.00737.35 O ATOM 22903 C3* G 01123 161.708 119.087 30.892 1.00737.35 C ATOM 22904 O3* G 01123 161.748 118.936 32.308 1.00737.35 O ATOM 22905 C2* G 01123 160.280 119.127 30.359 1.00737.35 C ATOM 22906 O2* G 01123 159.396 119.845 31.197 1.00737.35 O ATOM 22907 C1* G 01123 160.473 119.882 29.041 1.00737.35 C ATOM 22908 N9 G 01123 160.671 118.999 27.891 1.00737.35 N ATOM 22909 C8 G 01123 161.813 118.309 27.561 1.00737.35 C ATOM 22910 N7 G 01123 161.683 117.593 26.476 1.00737.35 N ATOM 22911 C5 G 01123 160.377 117.826 26.063 1.00737.35 C ATOM 22912 C6 G 01123 159.662 117.320 24.946 1.00737.35 C ATOM 22913 O6 G 01123 160.050 116.538 24.069 1.00737.35 O ATOM 22914 N1 G 01123 158.363 117.816 24.907 1.00737.35 N ATOM 22915 C2 G 01123 157.818 118.682 25.820 1.00737.35 C ATOM 22916 N2 G 01123 156.547 119.047 25.605 1.00737.35 N ATOM 22917 N3 G 01123 158.474 119.159 26.868 1.00737.35 N ATOM 22918 C4 G 01123 159.739 118.692 26.926 1.00737.35 C ATOM 22919 P U 01124 161.671 117.466 32.959 1.00737.35 P ATOM 22920 O1P U 01124 162.054 117.599 34.389 1.00737.35 O ATOM 22921 O2P U 01124 162.414 116.518 32.088 1.00737.35 O ATOM 22922 O5* U 01124 160.122 117.095 32.893 1.00737.35 O ATOM 22923 C5* U 01124 159.157 117.845 33.629 1.00737.35 C ATOM 22924 C4* U 01124 157.758 117.369 33.305 1.00737.35 C ATOM 22925 O4* U 01124 157.497 117.570 31.890 1.00737.35 O ATOM 22926 C3* U 01124 157.486 115.890 33.530 1.00737.35 C ATOM 22927 O3* U 01124 157.153 115.634 34.894 1.00737.35 O ATOM 22928 C2* U 01124 156.309 115.634 32.597 1.00737.35 C ATOM 22929 O2* U 01124 155.068 116.041 33.141 1.00737.35 O ATOM 22930 C1* U 01124 156.668 116.525 31.403 1.00737.35 C ATOM 22931 N1 U 01124 157.381 115.814 30.330 1.00737.35 N ATOM 22932 C2 U 01124 156.621 115.166 29.366 1.00737.35 C ATOM 22933 O2 U 01124 155.400 115.161 29.369 1.00737.35 O ATOM 22934 N3 U 01124 157.346 114.520 28.394 1.00737.35 N ATOM 22935 C4 U 01124 158.719 114.455 28.286 1.00737.35 C ATOM 22936 O4 U 01124 159.223 113.833 27.349 1.00737.35 O ATOM 22937 C5 U 01124 159.434 115.146 29.314 1.00737.35 C ATOM 22938 C6 U 01124 158.760 115.786 30.275 1.00737.35 C ATOM 22939 P G 01125 157.191 114.127 35.458 1.00737.35 P ATOM 22940 O1P G 01125 157.190 114.215 36.941 1.00737.35 O ATOM 22941 O2P G 01125 158.283 113.385 34.772 1.00737.35 O ATOM 22942 O5* G 01125 155.799 113.507 34.995 1.00737.35 O ATOM 22943 C5* G 01125 154.565 114.018 35.497 1.00737.35 C ATOM 22944 C4* G 01125 153.397 113.336 34.825 1.00737.35 C ATOM 22945 O4* G 01125 153.428 113.618 33.400 1.00737.35 O ATOM 22946 C3* G 01125 153.373 111.818 34.905 1.00737.35 C ATOM 22947 O3* G 01125 152.799 111.375 36.134 1.00737.35 O ATOM 22948 C2* G 01125 152.505 111.445 33.708 1.00737.35 C ATOM 22949 O2* G 01125 151.120 111.573 33.963 1.00737.35 O ATOM 22950 C1* G 01125 152.941 112.495 32.681 1.00737.35 C ATOM 22951 N9 G 01125 153.993 112.025 31.783 1.00737.35 N ATOM 22952 C8 G 01125 155.349 112.219 31.911 1.00737.35 C ATOM 22953 N7 G 01125 156.038 111.676 30.946 1.00737.35 N ATOM 22954 C5 G 01125 155.084 111.083 30.130 1.00737.35 C ATOM 22955 C6 G 01125 155.232 110.345 28.928 1.00737.35 C ATOM 22956 O6 G 01125 156.271 110.056 28.324 1.00737.35 O ATOM 22957 N1 G 01125 154.001 109.930 28.428 1.00737.35 N ATOM 22958 C2 G 01125 152.785 110.189 29.008 1.00737.35 C ATOM 22959 N2 G 01125 151.709 109.701 28.370 1.00737.35 N ATOM 22960 N3 G 01125 152.633 110.877 30.127 1.00737.35 N ATOM 22961 C4 G 01125 153.814 111.292 30.631 1.00737.35 C ATOM 22962 P A 01126 153.137 109.903 36.688 1.00737.35 P ATOM 22963 O1P A 01126 152.505 109.782 38.028 1.00737.35 O ATOM 22964 O2P A 01126 154.596 109.666 36.545 1.00737.35 O ATOM 22965 O5* A 01126 152.372 108.930 35.685 1.00737.35 O ATOM 22966 C5* A 01126 150.948 108.900 35.632 1.00737.35 C ATOM 22967 C4* A 01126 150.479 108.012 34.501 1.00737.35 C ATOM 22968 O4* A 01126 150.931 108.568 33.236 1.00737.35 O ATOM 22969 C3* A 01126 151.022 106.592 34.504 1.00737.35 C ATOM 22970 O3* A 01126 150.250 105.745 35.347 1.00737.35 O ATOM 22971 C2* A 01126 150.902 106.200 33.037 1.00737.35 C ATOM 22972 O2* A 01126 149.595 105.796 32.673 1.00737.35 O ATOM 22973 C1* A 01126 151.253 107.515 32.341 1.00737.35 C ATOM 22974 N9 A 01126 152.671 107.624 31.988 1.00737.35 N ATOM 22975 C8 A 01126 153.673 108.249 32.691 1.00737.35 C ATOM 22976 N7 A 01126 154.848 108.174 32.118 1.00737.35 N ATOM 22977 C5 A 01126 154.607 107.454 30.955 1.00737.35 C ATOM 22978 C6 A 01126 155.450 107.036 29.912 1.00737.35 C ATOM 22979 N6 A 01126 156.759 107.299 29.867 1.00737.35 N ATOM 22980 N1 A 01126 154.895 106.331 28.901 1.00737.35 N ATOM 22981 C2 A 01126 153.582 106.072 28.946 1.00737.35 C ATOM 22982 N3 A 01126 152.687 106.412 29.872 1.00737.35 N ATOM 22983 C4 A 01126 153.270 107.109 30.863 1.00737.35 C ATOM 22984 P C 01127 150.941 104.471 36.044 1.00737.35 P ATOM 22985 O1P C 01127 149.877 103.731 36.768 1.00737.35 O ATOM 22986 O2P C 01127 152.144 104.936 36.784 1.00737.35 O ATOM 22987 O5* C 01127 151.417 103.573 34.816 1.00737.35 O ATOM 22988 C5* C 01127 152.409 102.564 34.984 1.00737.35 C ATOM 22989 C4* C 01127 152.563 101.766 33.710 1.00737.35 C ATOM 22990 O4* C 01127 152.842 102.668 32.606 1.00737.35 O ATOM 22991 C3* C 01127 153.719 100.780 33.693 1.00737.35 C ATOM 22992 O3* C 01127 153.345 99.545 34.298 1.00737.35 O ATOM 22993 C2* C 01127 153.993 100.628 32.202 1.00737.35 C ATOM 22994 O2* C 01127 153.107 99.730 31.560 1.00737.35 O ATOM 22995 C1* C 01127 153.744 102.051 31.699 1.00737.35 C ATOM 22996 N1 C 01127 154.967 102.875 31.615 1.00737.35 N ATOM 22997 C2 C 01127 155.749 102.813 30.446 1.00737.35 C ATOM 22998 O2 C 01127 155.397 102.067 29.518 1.00737.35 O ATOM 22999 N3 C 01127 156.871 103.568 30.366 1.00737.35 N ATOM 23000 C4 C 01127 157.224 104.354 31.385 1.00737.35 C ATOM 23001 N4 C 01127 158.338 105.080 31.256 1.00737.35 N ATOM 23002 C5 C 01127 156.451 104.435 32.579 1.00737.35 C ATOM 23003 C6 C 01127 155.343 103.687 32.652 1.00737.35 C ATOM 23004 P G 01128 154.473 98.602 34.950 1.00737.35 P ATOM 23005 O1P G 01128 153.769 97.502 35.662 1.00737.35 O ATOM 23006 O2P G 01128 155.434 99.457 35.692 1.00737.35 O ATOM 23007 O5* G 01128 155.227 97.980 33.693 1.00737.35 O ATOM 23008 C5* G 01128 154.573 97.051 32.831 1.00737.35 C ATOM 23009 C4* G 01128 155.494 96.636 31.706 1.00737.35 C ATOM 23010 O4* G 01128 155.801 97.793 30.880 1.00737.35 O ATOM 23011 C3* G 01128 156.856 96.103 32.126 1.00737.35 C ATOM 23012 O3* G 01128 156.790 94.717 32.447 1.00737.35 O ATOM 23013 C2* G 01128 157.698 96.360 30.884 1.00737.35 C ATOM 23014 O2* G 01128 157.517 95.385 29.875 1.00737.35 O ATOM 23015 C1* G 01128 157.139 97.705 30.410 1.00737.35 C ATOM 23016 N9 G 01128 157.885 98.859 30.907 1.00737.35 N ATOM 23017 C8 G 01128 157.399 99.906 31.653 1.00737.35 C ATOM 23018 N7 G 01128 158.309 100.796 31.946 1.00737.35 N ATOM 23019 C5 G 01128 159.468 100.306 31.363 1.00737.35 C ATOM 23020 C6 G 01128 160.785 100.837 31.343 1.00737.35 C ATOM 23021 O6 G 01128 161.202 101.884 31.856 1.00737.35 O ATOM 23022 N1 G 01128 161.657 100.016 30.637 1.00737.35 N ATOM 23023 C2 G 01128 161.313 98.838 30.026 1.00737.35 C ATOM 23024 N2 G 01128 162.302 98.186 29.394 1.00737.35 N ATOM 23025 N3 G 01128 160.093 98.331 30.034 1.00737.35 N ATOM 23026 C4 G 01128 159.226 99.113 30.716 1.00737.35 C ATOM 23027 P A 01129 157.870 94.079 33.455 1.00737.35 P ATOM 23028 O1P A 01129 157.505 92.653 33.647 1.00737.35 O ATOM 23029 O2P A 01129 157.996 94.969 34.639 1.00737.35 O ATOM 23030 O5* A 01129 159.239 94.139 32.640 1.00737.35 O ATOM 23031 C5* A 01129 159.405 93.397 31.434 1.00737.35 C ATOM 23032 C4* A 01129 160.858 93.391 31.012 1.00737.35 C ATOM 23033 O4* A 01129 161.279 94.744 30.694 1.00737.35 O ATOM 23034 C3* A 01129 161.855 92.932 32.063 1.00737.35 C ATOM 23035 O3* A 01129 161.944 91.510 32.098 1.00737.35 O ATOM 23036 C2* A 01129 163.151 93.570 31.581 1.00737.35 C ATOM 23037 O2* A 01129 163.787 92.834 30.553 1.00737.35 O ATOM 23038 C1* A 01129 162.649 94.906 31.028 1.00737.35 C ATOM 23039 N9 A 01129 162.776 96.018 31.969 1.00737.35 N ATOM 23040 C8 A 01129 161.857 96.463 32.891 1.00737.35 C ATOM 23041 N7 A 01129 162.267 97.490 33.595 1.00737.35 N ATOM 23042 C5 A 01129 163.541 97.743 33.103 1.00737.35 C ATOM 23043 C6 A 01129 164.509 98.710 33.433 1.00737.35 C ATOM 23044 N6 A 01129 164.333 99.643 34.373 1.00737.35 N ATOM 23045 N1 A 01129 165.676 98.687 32.756 1.00737.35 N ATOM 23046 C2 A 01129 165.849 97.754 31.811 1.00737.35 C ATOM 23047 N3 A 01129 165.017 96.796 31.409 1.00737.35 N ATOM 23048 C4 A 01129 163.867 96.844 32.102 1.00737.35 C ATOM 23049 P U 01130 162.353 90.770 33.466 1.00737.35 P ATOM 23050 O1P U 01130 162.428 89.315 33.178 1.00737.35 O ATOM 23051 O2P U 01130 161.459 91.258 34.548 1.00737.35 O ATOM 23052 O5* U 01130 163.832 91.292 33.750 1.00737.35 O ATOM 23053 C5* U 01130 164.371 91.291 35.070 1.00737.35 C ATOM 23054 C4* U 01130 165.770 91.857 35.060 1.00737.35 C ATOM 23055 O4* U 01130 165.754 93.167 34.432 1.00737.35 O ATOM 23056 C3* U 01130 166.388 92.101 36.428 1.00737.35 C ATOM 23057 O3* U 01130 166.984 90.914 36.940 1.00737.35 O ATOM 23058 C2* U 01130 167.419 93.179 36.127 1.00737.35 C ATOM 23059 O2* U 01130 168.618 92.666 35.576 1.00737.35 O ATOM 23060 C1* U 01130 166.686 94.020 35.080 1.00737.35 C ATOM 23061 N1 U 01130 165.956 95.167 35.650 1.00737.35 N ATOM 23062 C2 U 01130 166.629 96.374 35.760 1.00737.35 C ATOM 23063 O2 U 01130 167.788 96.528 35.409 1.00737.35 O ATOM 23064 N3 U 01130 165.892 97.400 36.301 1.00737.35 N ATOM 23065 C4 U 01130 164.583 97.346 36.734 1.00737.35 C ATOM 23066 O4 U 01130 164.057 98.360 37.195 1.00737.35 O ATOM 23067 C5 U 01130 163.957 96.069 36.588 1.00737.35 C ATOM 23068 C6 U 01130 164.645 95.049 36.064 1.00737.35 C ATOM 23069 P G 01131 167.082 90.694 38.530 1.00737.35 P ATOM 23070 O1P G 01131 167.609 89.324 38.754 1.00737.35 O ATOM 23071 O2P G 01131 165.790 91.092 39.146 1.00737.35 O ATOM 23072 O5* G 01131 168.195 91.741 38.993 1.00737.35 O ATOM 23073 C5* G 01131 169.577 91.498 38.744 1.00737.35 C ATOM 23074 C4* G 01131 170.412 92.671 39.209 1.00737.35 C ATOM 23075 O4* G 01131 170.107 93.835 38.400 1.00737.35 O ATOM 23076 C3* G 01131 170.170 93.134 40.637 1.00737.35 C ATOM 23077 O3* G 01131 170.903 92.346 41.568 1.00737.35 O ATOM 23078 C2* G 01131 170.665 94.576 40.590 1.00737.35 C ATOM 23079 O2* G 01131 172.071 94.687 40.690 1.00737.35 O ATOM 23080 C1* G 01131 170.209 95.008 39.194 1.00737.35 C ATOM 23081 N9 G 01131 168.912 95.685 39.195 1.00737.35 N ATOM 23082 C8 G 01131 167.684 95.134 38.920 1.00737.35 C ATOM 23083 N7 G 01131 166.705 95.993 39.005 1.00737.35 N ATOM 23084 C5 G 01131 167.323 97.186 39.355 1.00737.35 C ATOM 23085 C6 G 01131 166.775 98.473 39.591 1.00737.35 C ATOM 23086 O6 G 01131 165.590 98.828 39.533 1.00737.35 O ATOM 23087 N1 G 01131 167.760 99.396 39.923 1.00737.35 N ATOM 23088 C2 G 01131 169.100 99.121 40.019 1.00737.35 C ATOM 23089 N2 G 01131 169.893 100.151 40.355 1.00737.35 N ATOM 23090 N3 G 01131 169.626 97.928 39.803 1.00737.35 N ATOM 23091 C4 G 01131 168.686 97.013 39.477 1.00737.35 C ATOM 23092 P C 01132 170.416 92.265 43.099 1.00737.35 P ATOM 23093 O1P C 01132 171.301 91.296 43.794 1.00737.35 O ATOM 23094 O2P C 01132 168.946 92.059 43.116 1.00737.35 O ATOM 23095 O5* C 01132 170.720 93.721 43.673 1.00737.35 O ATOM 23096 C5* C 01132 172.062 94.183 43.818 1.00737.35 C ATOM 23097 C4* C 01132 172.083 95.579 44.396 1.00737.35 C ATOM 23098 O4* C 01132 171.496 96.513 43.453 1.00737.35 O ATOM 23099 C3* C 01132 171.276 95.791 45.667 1.00737.35 C ATOM 23100 O3* C 01132 172.009 95.370 46.812 1.00737.35 O ATOM 23101 C2* C 01132 171.056 97.300 45.658 1.00737.35 C ATOM 23102 O2* C 01132 172.164 98.029 46.149 1.00737.35 O ATOM 23103 C1* C 01132 170.876 97.576 44.162 1.00737.35 C ATOM 23104 N1 C 01132 169.462 97.677 43.742 1.00737.35 N ATOM 23105 C2 C 01132 168.823 98.928 43.818 1.00737.35 C ATOM 23106 O2 C 01132 169.462 99.910 44.230 1.00737.35 O ATOM 23107 N3 C 01132 167.529 99.031 43.444 1.00737.35 N ATOM 23108 C4 C 01132 166.871 97.955 43.006 1.00737.35 C ATOM 23109 N4 C 01132 165.591 98.109 42.651 1.00737.35 N ATOM 23110 C5 C 01132 167.493 96.675 42.914 1.00737.35 C ATOM 23111 C6 C 01132 168.779 96.582 43.288 1.00737.35 C ATOM 23112 P G 01133 171.234 94.677 48.043 1.00737.35 P ATOM 23113 O1P G 01133 172.268 94.263 49.025 1.00737.35 O ATOM 23114 O2P G 01133 170.293 93.666 47.498 1.00737.35 O ATOM 23115 O5* G 01133 170.380 95.864 48.677 1.00737.35 O ATOM 23116 C5* G 01133 171.018 96.985 49.282 1.00737.35 C ATOM 23117 C4* G 01133 170.040 98.128 49.445 1.00737.35 C ATOM 23118 O4* G 01133 169.572 98.545 48.136 1.00737.35 O ATOM 23119 C3* G 01133 168.765 97.816 50.214 1.00737.35 C ATOM 23120 O3* G 01133 168.965 97.923 51.621 1.00737.35 O ATOM 23121 C2* G 01133 167.810 98.884 49.694 1.00737.35 C ATOM 23122 O2* G 01133 167.998 100.145 50.302 1.00737.35 O ATOM 23123 C1* G 01133 168.214 98.954 48.219 1.00737.35 C ATOM 23124 N9 G 01133 167.409 98.084 47.363 1.00737.35 N ATOM 23125 C8 G 01133 167.787 96.889 46.797 1.00737.35 C ATOM 23126 N7 G 01133 166.842 96.341 46.082 1.00737.35 N ATOM 23127 C5 G 01133 165.778 97.226 46.181 1.00737.35 C ATOM 23128 C6 G 01133 164.476 97.166 45.617 1.00737.35 C ATOM 23129 O6 G 01133 163.989 96.291 44.890 1.00737.35 O ATOM 23130 N1 G 01133 163.712 98.274 45.973 1.00737.35 N ATOM 23131 C2 G 01133 164.143 99.306 46.770 1.00737.35 C ATOM 23132 N2 G 01133 163.256 100.285 47.001 1.00737.35 N ATOM 23133 N3 G 01133 165.353 99.376 47.300 1.00737.35 N ATOM 23134 C4 G 01133 166.110 98.309 46.968 1.00737.35 C ATOM 23135 P C 01134 167.901 97.263 52.631 1.00737.35 P ATOM 23136 O1P C 01134 168.479 97.346 53.997 1.00737.35 O ATOM 23137 O2P C 01134 167.486 95.941 52.090 1.00737.35 O ATOM 23138 O5* C 01134 166.645 98.242 52.563 1.00737.35 O ATOM 23139 C5* C 01134 166.728 99.577 53.062 1.00737.35 C ATOM 23140 C4* C 01134 165.364 100.229 53.067 1.00737.35 C ATOM 23141 O4* C 01134 164.885 100.374 51.705 1.00737.35 O ATOM 23142 C3* C 01134 164.259 99.461 53.775 1.00737.35 C ATOM 23143 O3* C 01134 164.289 99.710 55.178 1.00737.35 O ATOM 23144 C2* C 01134 163.002 100.024 53.124 1.00737.35 C ATOM 23145 O2* C 01134 162.596 101.260 53.679 1.00737.35 O ATOM 23146 C1* C 01134 163.473 100.237 51.681 1.00737.35 C ATOM 23147 N1 C 01134 163.114 99.136 50.762 1.00737.35 N ATOM 23148 C2 C 01134 161.839 99.134 50.166 1.00737.35 C ATOM 23149 O2 C 01134 161.042 100.051 50.433 1.00737.35 O ATOM 23150 N3 C 01134 161.511 98.134 49.317 1.00737.35 N ATOM 23151 C4 C 01134 162.388 97.162 49.053 1.00737.35 C ATOM 23152 N4 C 01134 162.016 96.199 48.207 1.00737.35 N ATOM 23153 C5 C 01134 163.684 97.137 49.647 1.00737.35 C ATOM 23154 C6 C 01134 164.002 98.131 50.486 1.00737.35 C ATOM 23155 P C 01135 163.716 98.606 56.199 1.00737.35 P ATOM 23156 O1P C 01135 164.123 99.021 57.566 1.00737.35 O ATOM 23157 O2P C 01135 164.089 97.257 55.701 1.00737.35 O ATOM 23158 O5* C 01135 162.134 98.757 56.077 1.00737.35 O ATOM 23159 C5* C 01135 161.436 99.792 56.773 1.00737.35 C ATOM 23160 C4* C 01135 159.944 99.603 56.635 1.00737.35 C ATOM 23161 O4* C 01135 159.557 99.795 55.249 1.00737.35 O ATOM 23162 C3* C 01135 159.422 98.218 56.989 1.00737.35 C ATOM 23163 O3* C 01135 159.197 98.108 58.393 1.00737.35 O ATOM 23164 C2* C 01135 158.122 98.148 56.194 1.00737.35 C ATOM 23165 O2* C 01135 157.041 98.796 56.835 1.00737.35 O ATOM 23166 C1* C 01135 158.498 98.910 54.920 1.00737.35 C ATOM 23167 N1 C 01135 158.932 98.044 53.802 1.00737.35 N ATOM 23168 C2 C 01135 157.964 97.533 52.921 1.00737.35 C ATOM 23169 O2 C 01135 156.767 97.809 53.105 1.00737.35 O ATOM 23170 N3 C 01135 158.360 96.750 51.890 1.00737.35 N ATOM 23171 C4 C 01135 159.655 96.473 51.722 1.00737.35 C ATOM 23172 N4 C 01135 159.998 95.701 50.688 1.00737.35 N ATOM 23173 C5 C 01135 160.657 96.972 52.604 1.00737.35 C ATOM 23174 C6 C 01135 160.256 97.746 53.620 1.00737.35 C ATOM 23175 P G 01136 159.632 96.768 59.168 1.00737.35 P ATOM 23176 O1P G 01136 159.410 97.008 60.617 1.00737.35 O ATOM 23177 O2P G 01136 160.980 96.362 58.691 1.00737.35 O ATOM 23178 O5* G 01136 158.583 95.676 58.676 1.00737.35 O ATOM 23179 C5* G 01136 157.209 95.751 59.062 1.00737.35 C ATOM 23180 C4* G 01136 156.382 94.789 58.238 1.00737.35 C ATOM 23181 O4* G 01136 156.464 95.169 56.840 1.00737.35 O ATOM 23182 C3* G 01136 156.824 93.334 58.272 1.00737.35 C ATOM 23183 O3* G 01136 156.250 92.665 59.391 1.00737.35 O ATOM 23184 C2* G 01136 156.281 92.798 56.951 1.00737.35 C ATOM 23185 O2* G 01136 154.909 92.459 57.012 1.00737.35 O ATOM 23186 C1* G 01136 156.472 94.008 56.029 1.00737.35 C ATOM 23187 N9 G 01136 157.723 93.981 55.273 1.00737.35 N ATOM 23188 C8 G 01136 158.920 94.556 55.629 1.00737.35 C ATOM 23189 N7 G 01136 159.860 94.372 54.742 1.00737.35 N ATOM 23190 C5 G 01136 159.248 93.630 53.742 1.00737.35 C ATOM 23191 C6 G 01136 159.768 93.131 52.520 1.00737.35 C ATOM 23192 O6 G 01136 160.910 93.251 52.061 1.00737.35 O ATOM 23193 N1 G 01136 158.805 92.428 51.803 1.00737.35 N ATOM 23194 C2 G 01136 157.507 92.230 52.207 1.00737.35 C ATOM 23195 N2 G 01136 156.731 91.523 51.376 1.00737.35 N ATOM 23196 N3 G 01136 157.009 92.693 53.340 1.00737.35 N ATOM 23197 C4 G 01136 157.928 93.378 54.053 1.00737.35 C ATOM 23198 P A 01137 156.883 91.284 59.916 1.00737.35 P ATOM 23199 O1P A 01137 156.928 90.343 58.768 1.00737.35 O ATOM 23200 O2P A 01137 156.152 90.896 61.150 1.00737.35 O ATOM 23201 O5* A 01137 158.383 91.656 60.309 1.00737.35 O ATOM 23202 C5* A 01137 159.040 91.010 61.400 1.00737.35 C ATOM 23203 C4* A 01137 160.537 90.990 61.181 1.00737.35 C ATOM 23204 O4* A 01137 160.847 90.153 60.040 1.00737.35 O ATOM 23205 C3* A 01137 161.176 92.331 60.854 1.00737.35 C ATOM 23206 O3* A 01137 161.477 93.042 62.051 1.00737.35 O ATOM 23207 C2* A 01137 162.453 91.915 60.128 1.00737.35 C ATOM 23208 O2* A 01137 163.508 91.578 61.010 1.00737.35 O ATOM 23209 C1* A 01137 161.995 90.658 59.383 1.00737.35 C ATOM 23210 N9 A 01137 161.666 90.876 57.973 1.00737.35 N ATOM 23211 C8 A 01137 160.551 91.473 57.437 1.00737.35 C ATOM 23212 N7 A 01137 160.548 91.507 56.126 1.00737.35 N ATOM 23213 C5 A 01137 161.742 90.894 55.776 1.00737.35 C ATOM 23214 C6 A 01137 162.331 90.616 54.529 1.00737.35 C ATOM 23215 N6 A 01137 161.772 90.926 53.359 1.00737.35 N ATOM 23216 N1 A 01137 163.531 89.995 54.527 1.00737.35 N ATOM 23217 C2 A 01137 164.090 89.678 55.699 1.00737.35 C ATOM 23218 N3 A 01137 163.634 89.884 56.933 1.00737.35 N ATOM 23219 C4 A 01137 162.443 90.504 56.901 1.00737.35 C ATOM 23220 P A 01138 160.459 94.167 62.597 1.00737.35 P ATOM 23221 O1P A 01138 159.224 94.132 61.769 1.00737.35 O ATOM 23222 O2P A 01138 161.215 95.438 62.732 1.00737.35 O ATOM 23223 O5* A 01138 160.078 93.662 64.060 1.00737.35 O ATOM 23224 C5* A 01138 160.269 92.300 64.443 1.00737.35 C ATOM 23225 C4* A 01138 159.501 91.996 65.708 1.00737.35 C ATOM 23226 O4* A 01138 158.087 92.243 65.479 1.00737.35 O ATOM 23227 C3* A 01138 159.554 90.547 66.163 1.00737.35 C ATOM 23228 O3* A 01138 160.721 90.300 66.943 1.00737.35 O ATOM 23229 C2* A 01138 158.286 90.426 67.001 1.00737.35 C ATOM 23230 O2* A 01138 158.429 90.938 68.311 1.00737.35 O ATOM 23231 C1* A 01138 157.313 91.302 66.205 1.00737.35 C ATOM 23232 N9 A 01138 156.495 90.544 65.255 1.00737.35 N ATOM 23233 C8 A 01138 156.901 89.916 64.100 1.00737.35 C ATOM 23234 N7 A 01138 155.932 89.307 63.462 1.00737.35 N ATOM 23235 C5 A 01138 154.812 89.553 64.245 1.00737.35 C ATOM 23236 C6 A 01138 153.465 89.175 64.112 1.00737.35 C ATOM 23237 N6 A 01138 153.000 88.441 63.100 1.00737.35 N ATOM 23238 N1 A 01138 152.601 89.584 65.064 1.00737.35 N ATOM 23239 C2 A 01138 153.069 90.320 66.080 1.00737.35 C ATOM 23240 N3 A 01138 154.310 90.738 66.317 1.00737.35 N ATOM 23241 C4 A 01138 155.143 90.315 65.350 1.00737.35 C ATOM 23242 P A 01139 161.691 89.074 66.562 1.00737.35 P ATOM 23243 O1P A 01139 162.557 89.524 65.442 1.00737.35 O ATOM 23244 O2P A 01139 160.865 87.850 66.406 1.00737.35 O ATOM 23245 O5* A 01139 162.607 88.893 67.853 1.00737.35 O ATOM 23246 C5* A 01139 163.283 90.006 68.435 1.00737.35 C ATOM 23247 C4* A 01139 163.039 90.042 69.926 1.00737.35 C ATOM 23248 O4* A 01139 161.614 90.181 70.167 1.00737.35 O ATOM 23249 C3* A 01139 163.436 88.784 70.686 1.00737.35 C ATOM 23250 O3* A 01139 164.817 88.830 71.044 1.00737.35 O ATOM 23251 C2* A 01139 162.520 88.837 71.903 1.00737.35 C ATOM 23252 O2* A 01139 162.988 89.706 72.916 1.00737.35 O ATOM 23253 C1* A 01139 161.236 89.402 71.290 1.00737.35 C ATOM 23254 N9 A 01139 160.295 88.371 70.840 1.00737.35 N ATOM 23255 C8 A 01139 160.124 87.881 69.566 1.00737.35 C ATOM 23256 N7 A 01139 159.193 86.964 69.475 1.00737.35 N ATOM 23257 C5 A 01139 158.717 86.840 70.771 1.00737.35 C ATOM 23258 C6 A 01139 157.717 86.028 71.338 1.00737.35 C ATOM 23259 N6 A 01139 156.987 85.156 70.639 1.00737.35 N ATOM 23260 N1 A 01139 157.489 86.144 72.663 1.00737.35 N ATOM 23261 C2 A 01139 158.221 87.020 73.363 1.00737.35 C ATOM 23262 N3 A 01139 159.183 87.838 72.944 1.00737.35 N ATOM 23263 C4 A 01139 159.387 87.697 71.624 1.00737.35 C ATOM 23264 P A 01140 165.545 87.506 71.600 1.00737.35 P ATOM 23265 O1P A 01140 166.977 87.840 71.797 1.00737.35 O ATOM 23266 O2P A 01140 165.173 86.357 70.732 1.00737.35 O ATOM 23267 O5* A 01140 164.886 87.288 73.032 1.00737.35 O ATOM 23268 C5* A 01140 165.320 86.238 73.893 1.00737.35 C ATOM 23269 C4* A 01140 164.471 86.208 75.142 1.00737.35 C ATOM 23270 O4* A 01140 163.077 86.059 74.768 1.00737.35 O ATOM 23271 C3* A 01140 164.733 85.049 76.093 1.00737.35 C ATOM 23272 O3* A 01140 165.805 85.361 76.978 1.00737.35 O ATOM 23273 C2* A 01140 163.408 84.935 76.837 1.00737.35 C ATOM 23274 O2* A 01140 163.277 85.870 77.889 1.00737.35 O ATOM 23275 C1* A 01140 162.403 85.265 75.727 1.00737.35 C ATOM 23276 N9 A 01140 161.862 84.086 75.051 1.00737.35 N ATOM 23277 C8 A 01140 162.498 83.248 74.167 1.00737.35 C ATOM 23278 N7 A 01140 161.739 82.272 73.725 1.00737.35 N ATOM 23279 C5 A 01140 160.523 82.482 74.359 1.00737.35 C ATOM 23280 C6 A 01140 159.301 81.791 74.313 1.00737.35 C ATOM 23281 N6 A 01140 159.095 80.704 73.569 1.00737.35 N ATOM 23282 N1 A 01140 158.283 82.265 75.066 1.00737.35 N ATOM 23283 C2 A 01140 158.491 83.355 75.809 1.00737.35 C ATOM 23284 N3 A 01140 159.593 84.091 75.938 1.00737.35 N ATOM 23285 C4 A 01140 160.585 83.597 75.178 1.00737.35 C ATOM 23286 P U 01141 166.629 84.176 77.689 1.00737.35 P ATOM 23287 O1P U 01141 167.527 83.584 76.665 1.00737.35 O ATOM 23288 O2P U 01141 165.670 83.304 78.416 1.00737.35 O ATOM 23289 O5* U 01141 167.532 84.930 78.763 1.00737.35 O ATOM 23290 C5* U 01141 166.992 85.982 79.559 1.00737.35 C ATOM 23291 C4* U 01141 168.105 86.795 80.185 1.00737.35 C ATOM 23292 O4* U 01141 168.810 85.987 81.163 1.00737.35 O ATOM 23293 C3* U 01141 169.186 87.283 79.233 1.00737.35 C ATOM 23294 O3* U 01141 168.754 88.414 78.462 1.00737.35 O ATOM 23295 C2* U 01141 170.408 87.433 80.138 1.00737.35 C ATOM 23296 O2* U 01141 170.502 88.648 80.852 1.00737.35 O ATOM 23297 C1* U 01141 170.199 86.275 81.121 1.00737.35 C ATOM 23298 N1 U 01141 170.918 85.039 80.761 1.00737.35 N ATOM 23299 C2 U 01141 172.155 84.814 81.344 1.00737.35 C ATOM 23300 O2 U 01141 172.676 85.591 82.131 1.00737.35 O ATOM 23301 N3 U 01141 172.765 83.642 80.975 1.00737.35 N ATOM 23302 C4 U 01141 172.280 82.693 80.097 1.00737.35 C ATOM 23303 O4 U 01141 172.952 81.685 79.865 1.00737.35 O ATOM 23304 C5 U 01141 171.004 82.997 79.532 1.00737.35 C ATOM 23305 C6 U 01141 170.382 84.129 79.873 1.00737.35 C ATOM 23306 P G 01142 168.575 89.867 79.139 1.00737.35 P ATOM 23307 O1P G 01142 168.326 89.705 80.598 1.00737.35 O ATOM 23308 O2P G 01142 167.578 90.594 78.313 1.00737.35 O ATOM 23309 O5* G 01142 169.984 90.585 78.943 1.00737.35 O ATOM 23310 C5* G 01142 170.057 92.002 78.780 1.00737.35 C ATOM 23311 C4* G 01142 171.242 92.387 77.922 1.00737.35 C ATOM 23312 O4* G 01142 172.471 92.274 78.679 1.00737.35 O ATOM 23313 C3* G 01142 171.493 91.547 76.679 1.00737.35 C ATOM 23314 O3* G 01142 170.644 91.952 75.607 1.00737.35 O ATOM 23315 C2* G 01142 172.962 91.843 76.384 1.00737.35 C ATOM 23316 O2* G 01142 173.152 93.045 75.666 1.00737.35 O ATOM 23317 C1* G 01142 173.542 91.990 77.795 1.00737.35 C ATOM 23318 N9 G 01142 174.249 90.807 78.281 1.00737.35 N ATOM 23319 C8 G 01142 173.707 89.695 78.877 1.00737.35 C ATOM 23320 N7 G 01142 174.602 88.804 79.212 1.00737.35 N ATOM 23321 C5 G 01142 175.808 89.361 78.811 1.00737.35 C ATOM 23322 C6 G 01142 177.132 88.860 78.914 1.00737.35 C ATOM 23323 O6 G 01142 177.517 87.789 79.398 1.00737.35 O ATOM 23324 N1 G 01142 178.059 89.748 78.378 1.00737.35 N ATOM 23325 C2 G 01142 177.754 90.965 77.818 1.00737.35 C ATOM 23326 N2 G 01142 178.792 91.679 77.356 1.00737.35 N ATOM 23327 N3 G 01142 176.527 91.444 77.719 1.00737.35 N ATOM 23328 C4 G 01142 175.608 90.596 78.231 1.00737.35 C ATOM 23329 P A 01143 170.306 90.920 74.418 1.00737.35 P ATOM 23330 O1P A 01143 168.891 91.150 74.030 1.00737.35 O ATOM 23331 O2P A 01143 170.744 89.555 74.812 1.00737.35 O ATOM 23332 O5* A 01143 171.233 91.407 73.217 1.00737.35 O ATOM 23333 C5* A 01143 171.040 92.686 72.614 1.00737.35 C ATOM 23334 C4* A 01143 172.238 93.059 71.773 1.00737.35 C ATOM 23335 O4* A 01143 173.411 93.148 72.624 1.00737.35 O ATOM 23336 C3* A 01143 172.633 92.064 70.692 1.00737.35 C ATOM 23337 O3* A 01143 171.866 92.266 69.509 1.00737.35 O ATOM 23338 C2* A 01143 174.108 92.387 70.481 1.00737.35 C ATOM 23339 O2* A 01143 174.315 93.514 69.650 1.00737.35 O ATOM 23340 C1* A 01143 174.556 92.713 71.908 1.00737.35 C ATOM 23341 N9 A 01143 175.134 91.567 72.614 1.00737.35 N ATOM 23342 C8 A 01143 174.478 90.567 73.291 1.00737.35 C ATOM 23343 N7 A 01143 175.277 89.674 73.821 1.00737.35 N ATOM 23344 C5 A 01143 176.547 90.113 73.473 1.00737.35 C ATOM 23345 C6 A 01143 177.829 89.602 73.734 1.00737.35 C ATOM 23346 N6 A 01143 178.055 88.488 74.437 1.00737.35 N ATOM 23347 N1 A 01143 178.888 90.282 73.244 1.00737.35 N ATOM 23348 C2 A 01143 178.663 91.396 72.539 1.00737.35 C ATOM 23349 N3 A 01143 177.506 91.977 72.227 1.00737.35 N ATOM 23350 C4 A 01143 176.473 91.278 72.730 1.00737.35 C ATOM 23351 P U 01144 171.703 91.069 68.446 1.00737.35 P ATOM 23352 O1P U 01144 170.682 91.497 67.455 1.00737.35 O ATOM 23353 O2P U 01144 171.514 89.796 69.188 1.00737.35 O ATOM 23354 O5* U 01144 173.114 91.013 67.711 1.00737.35 O ATOM 23355 C5* U 01144 173.591 92.119 66.948 1.00737.35 C ATOM 23356 C4* U 01144 175.058 91.946 66.627 1.00737.35 C ATOM 23357 O4* U 01144 175.812 91.883 67.866 1.00737.35 O ATOM 23358 C3* U 01144 175.426 90.663 65.897 1.00737.35 C ATOM 23359 O3* U 01144 175.259 90.816 64.488 1.00737.35 O ATOM 23360 C2* U 01144 176.893 90.489 66.270 1.00737.35 C ATOM 23361 O2* U 01144 177.766 91.280 65.487 1.00737.35 O ATOM 23362 C1* U 01144 176.904 90.990 67.716 1.00737.35 C ATOM 23363 N1 U 01144 176.777 89.918 68.718 1.00737.35 N ATOM 23364 C2 U 01144 177.942 89.416 69.281 1.00737.35 C ATOM 23365 O2 U 01144 179.055 89.824 68.990 1.00737.35 O ATOM 23366 N3 U 01144 177.755 88.414 70.199 1.00737.35 N ATOM 23367 C4 U 01144 176.552 87.875 70.610 1.00737.35 C ATOM 23368 O4 U 01144 176.550 86.973 71.451 1.00737.35 O ATOM 23369 C5 U 01144 175.399 88.444 69.988 1.00737.35 C ATOM 23370 C6 U 01144 175.545 89.421 69.088 1.00737.35 C ATOM 23371 P C 01145 174.461 89.699 63.648 1.00737.35 P ATOM 23372 O1P C 01145 173.338 90.393 62.965 1.00737.35 O ATOM 23373 O2P C 01145 174.176 88.532 64.523 1.00737.35 O ATOM 23374 O5* C 01145 175.501 89.243 62.530 1.00737.35 O ATOM 23375 C5* C 01145 176.703 88.563 62.881 1.00737.35 C ATOM 23376 C4* C 01145 177.640 88.504 61.696 1.00737.35 C ATOM 23377 O4* C 01145 177.910 89.854 61.235 1.00737.35 O ATOM 23378 C3* C 01145 179.011 87.918 61.990 1.00737.35 C ATOM 23379 O3* C 01145 178.982 86.498 61.872 1.00737.35 O ATOM 23380 C2* C 01145 179.876 88.549 60.905 1.00737.35 C ATOM 23381 O2* C 01145 179.786 87.876 59.663 1.00737.35 O ATOM 23382 C1* C 01145 179.253 89.942 60.782 1.00737.35 C ATOM 23383 N1 C 01145 179.952 90.990 61.556 1.00737.35 N ATOM 23384 C2 C 01145 181.161 91.510 61.060 1.00737.35 C ATOM 23385 O2 C 01145 181.614 91.077 59.987 1.00737.35 O ATOM 23386 N3 C 01145 181.803 92.471 61.760 1.00737.35 N ATOM 23387 C4 C 01145 181.288 92.917 62.910 1.00737.35 C ATOM 23388 N4 C 01145 181.956 93.867 63.567 1.00737.35 N ATOM 23389 C5 C 01145 180.066 92.409 63.437 1.00737.35 C ATOM 23390 C6 C 01145 179.437 91.456 62.736 1.00737.35 C ATOM 23391 P G 01146 179.134 85.584 63.185 1.00737.35 P ATOM 23392 O1P G 01146 179.354 84.187 62.727 1.00737.35 O ATOM 23393 O2P G 01146 177.998 85.884 64.093 1.00737.35 O ATOM 23394 O5* G 01146 180.470 86.105 63.877 1.00737.35 O ATOM 23395 C5* G 01146 181.754 85.783 63.344 1.00737.35 C ATOM 23396 C4* G 01146 182.817 85.992 64.397 1.00737.35 C ATOM 23397 O4* G 01146 184.103 85.559 63.887 1.00737.35 O ATOM 23398 C3* G 01146 183.048 87.433 64.813 1.00737.35 C ATOM 23399 O3* G 01146 182.094 87.838 65.788 1.00737.35 O ATOM 23400 C2* G 01146 184.462 87.382 65.379 1.00737.35 C ATOM 23401 O2* G 01146 184.512 86.904 66.709 1.00737.35 O ATOM 23402 C1* G 01146 185.129 86.371 64.440 1.00737.35 C ATOM 23403 N9 G 01146 185.876 86.990 63.346 1.00737.35 N ATOM 23404 C8 G 01146 185.447 87.201 62.058 1.00737.35 C ATOM 23405 N7 G 01146 186.346 87.774 61.305 1.00737.35 N ATOM 23406 C5 G 01146 187.436 87.953 62.145 1.00737.35 C ATOM 23407 C6 G 01146 188.709 88.524 61.892 1.00737.35 C ATOM 23408 O6 G 01146 189.145 89.001 60.837 1.00737.35 O ATOM 23409 N1 G 01146 189.513 88.509 63.028 1.00737.35 N ATOM 23410 C2 G 01146 189.141 88.008 64.252 1.00737.35 C ATOM 23411 N2 G 01146 190.059 88.085 65.227 1.00737.35 N ATOM 23412 N3 G 01146 187.958 87.471 64.501 1.00737.35 N ATOM 23413 C4 G 01146 187.162 87.475 63.412 1.00737.35 C ATOM 23414 P G 01147 181.476 89.322 65.730 1.00737.35 P ATOM 23415 O1P G 01147 180.263 89.328 66.589 1.00737.35 O ATOM 23416 O2P G 01147 181.364 89.729 64.305 1.00737.35 O ATOM 23417 O5* G 01147 182.589 90.231 66.420 1.00737.35 O ATOM 23418 C5* G 01147 182.789 90.199 67.831 1.00737.35 C ATOM 23419 C4* G 01147 183.977 91.051 68.212 1.00737.35 C ATOM 23420 O4* G 01147 185.186 90.476 67.646 1.00737.35 O ATOM 23421 C3* G 01147 183.962 92.480 67.695 1.00737.35 C ATOM 23422 O3* G 01147 183.199 93.327 68.551 1.00737.35 O ATOM 23423 C2* G 01147 185.443 92.842 67.698 1.00737.35 C ATOM 23424 O2* G 01147 185.919 93.224 68.973 1.00737.35 O ATOM 23425 C1* G 01147 186.080 91.515 67.279 1.00737.35 C ATOM 23426 N9 G 01147 186.338 91.414 65.844 1.00737.35 N ATOM 23427 C8 G 01147 185.492 90.920 64.878 1.00737.35 C ATOM 23428 N7 G 01147 186.004 90.960 63.679 1.00737.35 N ATOM 23429 C5 G 01147 187.264 91.514 63.860 1.00737.35 C ATOM 23430 C6 G 01147 188.286 91.804 62.917 1.00737.35 C ATOM 23431 O6 G 01147 188.279 91.623 61.692 1.00737.35 O ATOM 23432 N1 G 01147 189.402 92.362 63.530 1.00737.35 N ATOM 23433 C2 G 01147 189.524 92.612 64.875 1.00737.35 C ATOM 23434 N2 G 01147 190.683 93.161 65.272 1.00737.35 N ATOM 23435 N3 G 01147 188.582 92.345 65.763 1.00737.35 N ATOM 23436 C4 G 01147 187.486 91.802 65.190 1.00737.35 C ATOM 23437 P G 01148 182.614 94.715 67.986 1.00737.35 P ATOM 23438 O1P G 01148 181.770 95.305 69.057 1.00737.35 O ATOM 23439 O2P G 01148 182.027 94.470 66.642 1.00737.35 O ATOM 23440 O5* G 01148 183.907 95.629 67.806 1.00737.35 O ATOM 23441 C5* G 01148 184.601 96.150 68.937 1.00737.35 C ATOM 23442 C4* G 01148 185.837 96.903 68.497 1.00737.35 C ATOM 23443 O4* G 01148 186.779 95.974 67.889 1.00737.35 O ATOM 23444 C3* G 01148 185.617 97.954 67.422 1.00737.35 C ATOM 23445 O3* G 01148 185.157 99.193 67.952 1.00737.35 O ATOM 23446 C2* G 01148 187.002 98.076 66.807 1.00737.35 C ATOM 23447 O2* G 01148 187.886 98.876 67.569 1.00737.35 O ATOM 23448 C1* G 01148 187.466 96.618 66.826 1.00737.35 C ATOM 23449 N9 G 01148 187.157 95.918 65.578 1.00737.35 N ATOM 23450 C8 G 01148 186.113 95.053 65.345 1.00737.35 C ATOM 23451 N7 G 01148 186.091 94.594 64.126 1.00737.35 N ATOM 23452 C5 G 01148 187.185 95.186 63.512 1.00737.35 C ATOM 23453 C6 G 01148 187.670 95.067 62.184 1.00737.35 C ATOM 23454 O6 G 01148 187.211 94.392 61.256 1.00737.35 O ATOM 23455 N1 G 01148 188.807 95.840 61.983 1.00737.35 N ATOM 23456 C2 G 01148 189.405 96.628 62.936 1.00737.35 C ATOM 23457 N2 G 01148 190.497 97.301 62.544 1.00737.35 N ATOM 23458 N3 G 01148 188.964 96.750 64.178 1.00737.35 N ATOM 23459 C4 G 01148 187.858 96.005 64.395 1.00737.35 C ATOM 23460 P G 01149 184.331 100.199 67.007 1.00737.35 P ATOM 23461 O1P G 01149 184.779 101.578 67.324 1.00737.35 O ATOM 23462 O2P G 01149 182.890 99.855 67.100 1.00737.35 O ATOM 23463 O5* G 01149 184.848 99.834 65.544 1.00737.35 O ATOM 23464 C5* G 01149 184.398 100.544 64.395 1.00737.35 C ATOM 23465 C4* G 01149 185.427 100.442 63.296 1.00737.35 C ATOM 23466 O4* G 01149 185.701 99.042 63.017 1.00737.35 O ATOM 23467 C3* G 01149 185.021 101.014 61.949 1.00737.35 C ATOM 23468 O3* G 01149 185.244 102.419 61.908 1.00737.35 O ATOM 23469 C2* G 01149 185.944 100.268 60.990 1.00737.35 C ATOM 23470 O2* G 01149 187.245 100.821 60.930 1.00737.35 O ATOM 23471 C1* G 01149 186.005 98.882 61.640 1.00737.35 C ATOM 23472 N9 G 01149 185.067 97.924 61.058 1.00737.35 N ATOM 23473 C8 G 01149 183.844 97.543 61.558 1.00737.35 C ATOM 23474 N7 G 01149 183.235 96.667 60.806 1.00737.35 N ATOM 23475 C5 G 01149 184.104 96.457 59.744 1.00737.35 C ATOM 23476 C6 G 01149 183.982 95.612 58.609 1.00737.35 C ATOM 23477 O6 G 01149 183.052 94.855 58.306 1.00737.35 O ATOM 23478 N1 G 01149 185.096 95.706 57.781 1.00737.35 N ATOM 23479 C2 G 01149 186.186 96.508 58.012 1.00737.35 C ATOM 23480 N2 G 01149 187.162 96.460 57.093 1.00737.35 N ATOM 23481 N3 G 01149 186.312 97.301 59.065 1.00737.35 N ATOM 23482 C4 G 01149 185.240 97.224 59.884 1.00737.35 C ATOM 23483 P C 01150 184.250 103.360 61.064 1.00737.35 P ATOM 23484 O1P C 01150 184.822 104.730 61.076 1.00737.35 O ATOM 23485 O2P C 01150 182.866 103.140 61.557 1.00737.35 O ATOM 23486 O5* C 01150 184.351 102.786 59.580 1.00737.35 O ATOM 23487 C5* C 01150 185.542 102.942 58.812 1.00737.35 C ATOM 23488 C4* C 01150 185.394 102.256 57.472 1.00737.35 C ATOM 23489 O4* C 01150 185.316 100.820 57.665 1.00737.35 O ATOM 23490 C3* C 01150 184.137 102.607 56.695 1.00737.35 C ATOM 23491 O3* C 01150 184.324 103.812 55.958 1.00737.35 O ATOM 23492 C2* C 01150 183.965 101.394 55.790 1.00737.35 C ATOM 23493 O2* C 01150 184.793 101.435 54.645 1.00737.35 O ATOM 23494 C1* C 01150 184.424 100.258 56.713 1.00737.35 C ATOM 23495 N1 C 01150 183.323 99.591 57.438 1.00737.35 N ATOM 23496 C2 C 01150 182.652 98.517 56.822 1.00737.35 C ATOM 23497 O2 C 01150 182.993 98.157 55.679 1.00737.35 O ATOM 23498 N3 C 01150 181.648 97.898 57.488 1.00737.35 N ATOM 23499 C4 C 01150 181.304 98.313 58.710 1.00737.35 C ATOM 23500 N4 C 01150 180.309 97.673 59.329 1.00737.35 N ATOM 23501 C5 C 01150 181.962 99.400 59.353 1.00737.35 C ATOM 23502 C6 C 01150 182.953 100.004 58.689 1.00737.35 C ATOM 23503 P U 01151 183.162 104.924 55.929 1.00737.35 P ATOM 23504 O1P U 01151 183.796 106.210 55.543 1.00737.35 O ATOM 23505 O2P U 01151 182.386 104.841 57.196 1.00737.35 O ATOM 23506 O5* U 01151 182.211 104.465 54.736 1.00737.35 O ATOM 23507 C5* U 01151 182.754 104.117 53.464 1.00737.35 C ATOM 23508 C4* U 01151 181.827 104.556 52.354 1.00737.35 C ATOM 23509 O4* U 01151 180.566 103.846 52.470 1.00737.35 O ATOM 23510 C3* U 01151 181.433 106.025 52.350 1.00737.35 C ATOM 23511 O3* U 01151 182.428 106.814 51.706 1.00737.35 O ATOM 23512 C2* U 01151 180.124 106.003 51.562 1.00737.35 C ATOM 23513 O2* U 01151 180.318 105.972 50.162 1.00737.35 O ATOM 23514 C1* U 01151 179.507 104.682 52.031 1.00737.35 C ATOM 23515 N1 U 01151 178.538 104.833 53.128 1.00737.35 N ATOM 23516 C2 U 01151 177.199 104.971 52.790 1.00737.35 C ATOM 23517 O2 U 01151 176.798 104.967 51.637 1.00737.35 O ATOM 23518 N3 U 01151 176.345 105.114 53.856 1.00737.35 N ATOM 23519 C4 U 01151 176.680 105.132 55.195 1.00737.35 C ATOM 23520 O4 U 01151 175.793 105.268 56.038 1.00737.35 O ATOM 23521 C5 U 01151 178.077 104.984 55.462 1.00737.35 C ATOM 23522 C6 U 01151 178.936 104.842 54.448 1.00737.35 C ATOM 23523 P C 01152 182.590 108.369 52.089 1.00737.35 P ATOM 23524 O1P C 01152 182.670 108.484 53.568 1.00737.35 O ATOM 23525 O2P C 01152 181.540 109.118 51.352 1.00737.35 O ATOM 23526 O5* C 01152 184.006 108.777 51.482 1.00737.35 O ATOM 23527 C5* C 01152 184.390 108.374 50.168 1.00737.35 C ATOM 23528 C4* C 01152 185.895 108.407 50.023 1.00737.35 C ATOM 23529 O4* C 01152 186.365 109.777 50.126 1.00737.35 O ATOM 23530 C3* C 01152 186.675 107.663 51.097 1.00737.35 C ATOM 23531 O3* C 01152 186.766 106.271 50.812 1.00737.35 O ATOM 23532 C2* C 01152 188.036 108.348 51.042 1.00737.35 C ATOM 23533 O2* C 01152 188.857 107.870 49.994 1.00737.35 O ATOM 23534 C1* C 01152 187.634 109.800 50.765 1.00737.35 C ATOM 23535 N1 C 01152 187.539 110.629 51.984 1.00737.35 N ATOM 23536 C2 C 01152 188.703 111.236 52.487 1.00737.35 C ATOM 23537 O2 C 01152 189.782 111.061 51.894 1.00737.35 O ATOM 23538 N3 C 01152 188.622 111.997 53.603 1.00737.35 N ATOM 23539 C4 C 01152 187.447 112.163 54.214 1.00737.35 C ATOM 23540 N4 C 01152 187.417 112.923 55.312 1.00737.35 N ATOM 23541 C5 C 01152 186.252 111.559 53.729 1.00737.35 C ATOM 23542 C6 C 01152 186.340 110.809 52.624 1.00737.35 C ATOM 23543 P A 01153 186.067 105.215 51.799 1.00737.35 P ATOM 23544 O1P A 01153 184.622 105.190 51.465 1.00737.35 O ATOM 23545 O2P A 01153 186.494 105.539 53.185 1.00737.35 O ATOM 23546 O5* A 01153 186.689 103.806 51.397 1.00737.35 O ATOM 23547 C5* A 01153 186.691 102.723 52.329 1.00737.35 C ATOM 23548 C4* A 01153 185.784 101.611 51.851 1.00737.35 C ATOM 23549 O4* A 01153 184.466 102.156 51.584 1.00737.35 O ATOM 23550 C3* A 01153 186.176 100.929 50.551 1.00737.35 C ATOM 23551 O3* A 01153 187.115 99.891 50.811 1.00737.35 O ATOM 23552 C2* A 01153 184.847 100.356 50.075 1.00737.35 C ATOM 23553 O2* A 01153 184.514 99.137 50.710 1.00737.35 O ATOM 23554 C1* A 01153 183.864 101.444 50.516 1.00737.35 C ATOM 23555 N9 A 01153 183.512 102.393 49.460 1.00737.35 N ATOM 23556 C8 A 01153 184.273 103.411 48.937 1.00737.35 C ATOM 23557 N7 A 01153 183.669 104.095 47.997 1.00737.35 N ATOM 23558 C5 A 01153 182.426 103.489 47.889 1.00737.35 C ATOM 23559 C6 A 01153 181.313 103.747 47.070 1.00737.35 C ATOM 23560 N6 A 01153 181.273 104.727 46.164 1.00737.35 N ATOM 23561 N1 A 01153 180.229 102.954 47.213 1.00737.35 N ATOM 23562 C2 A 01153 180.270 101.975 48.122 1.00737.35 C ATOM 23563 N3 A 01153 181.252 101.634 48.952 1.00737.35 N ATOM 23564 C4 A 01153 182.315 102.438 48.784 1.00737.35 C ATOM 23565 P A 01154 188.310 99.613 49.775 1.00737.35 P ATOM 23566 O1P A 01154 189.082 100.868 49.607 1.00737.35 O ATOM 23567 O2P A 01154 187.721 98.946 48.585 1.00737.35 O ATOM 23568 O5* A 01154 189.233 98.564 50.545 1.00737.35 O ATOM 23569 C5* A 01154 189.031 97.157 50.414 1.00737.35 C ATOM 23570 C4* A 01154 189.112 96.487 51.767 1.00737.35 C ATOM 23571 O4* A 01154 190.354 96.884 52.412 1.00737.35 O ATOM 23572 C3* A 01154 188.028 96.875 52.764 1.00737.35 C ATOM 23573 O3* A 01154 186.860 96.072 52.595 1.00737.35 O ATOM 23574 C2* A 01154 188.712 96.611 54.098 1.00737.35 C ATOM 23575 O2* A 01154 188.722 95.242 54.457 1.00737.35 O ATOM 23576 C1* A 01154 190.134 97.085 53.802 1.00737.35 C ATOM 23577 N9 A 01154 190.333 98.505 54.102 1.00737.35 N ATOM 23578 C8 A 01154 190.546 99.536 53.217 1.00737.35 C ATOM 23579 N7 A 01154 190.681 100.707 53.789 1.00737.35 N ATOM 23580 C5 A 01154 190.550 100.431 55.143 1.00737.35 C ATOM 23581 C6 A 01154 190.593 101.255 56.283 1.00737.35 C ATOM 23582 N6 A 01154 190.788 102.575 56.238 1.00737.35 N ATOM 23583 N1 A 01154 190.426 100.668 57.487 1.00737.35 N ATOM 23584 C2 A 01154 190.229 99.344 57.533 1.00737.35 C ATOM 23585 N3 A 01154 190.166 98.466 56.534 1.00737.35 N ATOM 23586 C4 A 01154 190.338 99.080 55.351 1.00737.35 C ATOM 23587 P G 01155 185.520 96.421 53.418 1.00737.35 P ATOM 23588 O1P G 01155 185.729 97.670 54.197 1.00737.35 O ATOM 23589 O2P G 01155 185.110 95.180 54.122 1.00737.35 O ATOM 23590 O5* G 01155 184.435 96.724 52.289 1.00737.35 O ATOM 23591 C5* G 01155 184.229 95.821 51.206 1.00737.35 C ATOM 23592 C4* G 01155 182.757 95.728 50.877 1.00737.35 C ATOM 23593 O4* G 01155 182.230 97.057 50.627 1.00737.35 O ATOM 23594 C3* G 01155 182.428 94.944 49.617 1.00737.35 C ATOM 23595 O3* G 01155 182.346 93.548 49.890 1.00737.35 O ATOM 23596 C2* G 01155 181.077 95.530 49.216 1.00737.35 C ATOM 23597 O2* G 01155 179.995 94.980 49.942 1.00737.35 O ATOM 23598 C1* G 01155 181.261 97.001 49.591 1.00737.35 C ATOM 23599 N9 G 01155 181.717 97.838 48.483 1.00737.35 N ATOM 23600 C8 G 01155 183.002 98.265 48.243 1.00737.35 C ATOM 23601 N7 G 01155 183.106 99.018 47.184 1.00737.35 N ATOM 23602 C5 G 01155 181.811 99.093 46.688 1.00737.35 C ATOM 23603 C6 G 01155 181.303 99.773 45.554 1.00737.35 C ATOM 23604 O6 G 01155 181.914 100.476 44.737 1.00737.35 O ATOM 23605 N1 G 01155 179.933 99.576 45.411 1.00737.35 N ATOM 23606 C2 G 01155 179.149 98.827 46.253 1.00737.35 C ATOM 23607 N2 G 01155 177.844 98.753 45.940 1.00737.35 N ATOM 23608 N3 G 01155 179.610 98.191 47.321 1.00737.35 N ATOM 23609 C4 G 01155 180.941 98.368 47.475 1.00737.35 C ATOM 23610 P U 01156 182.711 92.488 48.737 1.00737.35 P ATOM 23611 O1P U 01156 182.460 91.123 49.269 1.00737.35 O ATOM 23612 O2P U 01156 184.059 92.835 48.219 1.00737.35 O ATOM 23613 O5* U 01156 181.646 92.785 47.591 1.00737.35 O ATOM 23614 C5* U 01156 180.250 92.592 47.818 1.00737.35 C ATOM 23615 C4* U 01156 179.446 93.193 46.687 1.00737.35 C ATOM 23616 O4* U 01156 179.652 94.631 46.655 1.00737.35 O ATOM 23617 C3* U 01156 179.826 92.731 45.290 1.00737.35 C ATOM 23618 O3* U 01156 179.199 91.495 44.970 1.00737.35 O ATOM 23619 C2* U 01156 179.318 93.877 44.423 1.00737.35 C ATOM 23620 O2* U 01156 177.928 93.812 44.172 1.00737.35 O ATOM 23621 C1* U 01156 179.631 95.085 45.309 1.00737.35 C ATOM 23622 N1 U 01156 180.927 95.718 45.002 1.00737.35 N ATOM 23623 C2 U 01156 180.954 96.689 44.009 1.00737.35 C ATOM 23624 O2 U 01156 179.962 97.042 43.392 1.00737.35 O ATOM 23625 N3 U 01156 182.192 97.234 43.767 1.00737.35 N ATOM 23626 C4 U 01156 183.378 96.918 44.396 1.00737.35 C ATOM 23627 O4 U 01156 184.413 97.499 44.064 1.00737.35 O ATOM 23628 C5 U 01156 183.268 95.911 45.407 1.00737.35 C ATOM 23629 C6 U 01156 182.080 95.359 45.669 1.00737.35 C ATOM 23630 P G 01157 179.885 90.507 43.903 1.00737.35 P ATOM 23631 O1P G 01157 179.141 89.221 43.923 1.00737.35 O ATOM 23632 O2P G 01157 181.349 90.509 44.157 1.00737.35 O ATOM 23633 O5* G 01157 179.630 91.225 42.503 1.00737.35 O ATOM 23634 C5* G 01157 178.403 91.036 41.798 1.00737.35 C ATOM 23635 C4* G 01157 178.507 91.593 40.397 1.00737.35 C ATOM 23636 O4* G 01157 178.548 93.042 40.439 1.00737.35 O ATOM 23637 C3* G 01157 179.755 91.217 39.616 1.00737.35 C ATOM 23638 O3* G 01157 179.638 89.920 39.042 1.00737.35 O ATOM 23639 C2* G 01157 179.815 92.313 38.557 1.00737.35 C ATOM 23640 O2* G 01157 178.958 92.072 37.458 1.00737.35 O ATOM 23641 C1* G 01157 179.316 93.528 39.347 1.00737.35 C ATOM 23642 N9 G 01157 180.395 94.365 39.867 1.00737.35 N ATOM 23643 C8 G 01157 181.015 94.269 41.091 1.00737.35 C ATOM 23644 N7 G 01157 181.953 95.163 41.264 1.00737.35 N ATOM 23645 C5 G 01157 181.951 95.893 40.084 1.00737.35 C ATOM 23646 C6 G 01157 182.754 96.996 39.683 1.00737.35 C ATOM 23647 O6 G 01157 183.653 97.564 40.313 1.00737.35 O ATOM 23648 N1 G 01157 182.419 97.432 38.404 1.00737.35 N ATOM 23649 C2 G 01157 181.444 96.882 37.611 1.00737.35 C ATOM 23650 N2 G 01157 181.274 97.446 36.407 1.00737.35 N ATOM 23651 N3 G 01157 180.692 95.857 37.971 1.00737.35 N ATOM 23652 C4 G 01157 180.998 95.415 39.212 1.00737.35 C ATOM 23653 P A 01158 180.961 89.046 38.776 1.00737.35 P ATOM 23654 O1P A 01158 180.521 87.718 38.277 1.00737.35 O ATOM 23655 O2P A 01158 181.831 89.126 39.978 1.00737.35 O ATOM 23656 O5* A 01158 181.689 89.814 37.585 1.00737.35 O ATOM 23657 C5* A 01158 181.125 89.828 36.275 1.00737.35 C ATOM 23658 C4* A 01158 181.971 90.663 35.342 1.00737.35 C ATOM 23659 O4* A 01158 181.916 92.060 35.736 1.00737.35 O ATOM 23660 C3* A 01158 183.459 90.354 35.321 1.00737.35 C ATOM 23661 O3* A 01158 183.745 89.229 34.497 1.00737.35 O ATOM 23662 C2* A 01158 184.044 91.642 34.752 1.00737.35 C ATOM 23663 O2* A 01158 183.955 91.720 33.343 1.00737.35 O ATOM 23664 C1* A 01158 183.134 92.699 35.388 1.00737.35 C ATOM 23665 N9 A 01158 183.708 93.312 36.587 1.00737.35 N ATOM 23666 C8 A 01158 183.608 92.900 37.894 1.00737.35 C ATOM 23667 N7 A 01158 184.251 93.666 38.742 1.00737.35 N ATOM 23668 C5 A 01158 184.813 94.652 37.939 1.00737.35 C ATOM 23669 C6 A 01158 185.619 95.767 38.232 1.00737.35 C ATOM 23670 N6 A 01158 186.023 96.093 39.463 1.00737.35 N ATOM 23671 N1 A 01158 186.006 96.549 37.201 1.00737.35 N ATOM 23672 C2 A 01158 185.607 96.225 35.966 1.00737.35 C ATOM 23673 N3 A 01158 184.855 95.206 35.564 1.00737.35 N ATOM 23674 C4 A 01158 184.485 94.447 36.612 1.00737.35 C ATOM 23675 P U 01159 185.078 88.371 34.756 1.00737.35 P ATOM 23676 O1P U 01159 185.037 87.200 33.842 1.00737.35 O ATOM 23677 O2P U 01159 185.226 88.153 36.219 1.00737.35 O ATOM 23678 O5* U 01159 186.251 89.337 34.278 1.00737.35 O ATOM 23679 C5* U 01159 186.415 89.658 32.899 1.00737.35 C ATOM 23680 C4* U 01159 187.563 90.624 32.709 1.00737.35 C ATOM 23681 O4* U 01159 187.238 91.897 33.325 1.00737.35 O ATOM 23682 C3* U 01159 188.882 90.234 33.350 1.00737.35 C ATOM 23683 O3* U 01159 189.598 89.306 32.544 1.00737.35 O ATOM 23684 C2* U 01159 189.596 91.580 33.451 1.00737.35 C ATOM 23685 O2* U 01159 190.203 91.976 32.238 1.00737.35 O ATOM 23686 C1* U 01159 188.431 92.518 33.781 1.00737.35 C ATOM 23687 N1 U 01159 188.303 92.809 35.220 1.00737.35 N ATOM 23688 C2 U 01159 188.984 93.911 35.717 1.00737.35 C ATOM 23689 O2 U 01159 189.665 94.646 35.017 1.00737.35 O ATOM 23690 N3 U 01159 188.836 94.122 37.067 1.00737.35 N ATOM 23691 C4 U 01159 188.099 93.368 37.952 1.00737.35 C ATOM 23692 O4 U 01159 188.084 93.682 39.145 1.00737.35 O ATOM 23693 C5 U 01159 187.424 92.252 37.366 1.00737.35 C ATOM 23694 C6 U 01159 187.544 92.015 36.055 1.00737.35 C ATOM 23695 P C 01160 190.690 88.338 33.219 1.00737.35 P ATOM 23696 O1P C 01160 191.103 87.354 32.185 1.00737.35 O ATOM 23697 O2P C 01160 190.160 87.854 34.520 1.00737.35 O ATOM 23698 O5* C 01160 191.925 89.303 33.511 1.00737.35 O ATOM 23699 C5* C 01160 192.674 89.871 32.439 1.00737.35 C ATOM 23700 C4* C 01160 193.747 90.795 32.971 1.00737.35 C ATOM 23701 O4* C 01160 193.132 91.933 33.630 1.00737.35 O ATOM 23702 C3* C 01160 194.669 90.216 34.032 1.00737.35 C ATOM 23703 O3* C 01160 195.709 89.439 33.448 1.00737.35 O ATOM 23704 C2* C 01160 195.206 91.474 34.707 1.00737.35 C ATOM 23705 O2* C 01160 196.261 92.083 33.987 1.00737.35 O ATOM 23706 C1* C 01160 193.973 92.384 34.683 1.00737.35 C ATOM 23707 N1 C 01160 193.211 92.371 35.949 1.00737.35 N ATOM 23708 C2 C 01160 193.613 93.228 36.987 1.00737.35 C ATOM 23709 O2 C 01160 194.591 93.976 36.810 1.00737.35 O ATOM 23710 N3 C 01160 192.929 93.221 38.153 1.00737.35 N ATOM 23711 C4 C 01160 191.883 92.406 38.308 1.00737.35 C ATOM 23712 N4 C 01160 191.240 92.435 39.479 1.00737.35 N ATOM 23713 C5 C 01160 191.451 91.528 37.273 1.00737.35 C ATOM 23714 C6 C 01160 192.137 91.541 36.121 1.00737.35 C ATOM 23715 P U 01161 196.526 88.388 34.351 1.00737.35 P ATOM 23716 O1P U 01161 197.361 87.573 33.430 1.00737.35 O ATOM 23717 O2P U 01161 195.577 87.714 35.273 1.00737.35 O ATOM 23718 O5* U 01161 197.494 89.308 35.221 1.00737.35 O ATOM 23719 C5* U 01161 198.562 90.027 34.609 1.00737.35 C ATOM 23720 C4* U 01161 199.371 90.768 35.650 1.00737.35 C ATOM 23721 O4* U 01161 198.560 91.806 36.260 1.00737.35 O ATOM 23722 C3* U 01161 199.860 89.944 36.831 1.00737.35 C ATOM 23723 O3* U 01161 201.044 89.226 36.501 1.00737.35 O ATOM 23724 C2* U 01161 200.113 91.016 37.884 1.00737.35 C ATOM 23725 O2* U 01161 201.352 91.677 37.719 1.00737.35 O ATOM 23726 C1* U 01161 198.967 91.996 37.606 1.00737.35 C ATOM 23727 N1 U 01161 197.804 91.811 38.492 1.00737.35 N ATOM 23728 C2 U 01161 197.805 92.475 39.711 1.00737.35 C ATOM 23729 O2 U 01161 198.718 93.202 40.074 1.00737.35 O ATOM 23730 N3 U 01161 196.696 92.258 40.492 1.00737.35 N ATOM 23731 C4 U 01161 195.608 91.465 40.189 1.00737.35 C ATOM 23732 O4 U 01161 194.684 91.371 40.998 1.00737.35 O ATOM 23733 C5 U 01161 195.679 90.812 38.917 1.00737.35 C ATOM 23734 C6 U 01161 196.744 91.002 38.132 1.00737.35 C ATOM 23735 P A 01162 201.423 87.896 37.322 1.00737.35 P ATOM 23736 O1P A 01162 202.629 87.311 36.681 1.00737.35 O ATOM 23737 O2P A 01162 200.201 87.067 37.472 1.00737.35 O ATOM 23738 O5* A 01162 201.838 88.439 38.761 1.00737.35 O ATOM 23739 C5* A 01162 202.968 89.294 38.920 1.00737.35 C ATOM 23740 C4* A 01162 203.017 89.854 40.324 1.00737.35 C ATOM 23741 O4* A 01162 201.845 90.674 40.565 1.00737.35 O ATOM 23742 C3* A 01162 202.990 88.835 41.452 1.00737.35 C ATOM 23743 O3* A 01162 204.289 88.303 41.692 1.00737.35 O ATOM 23744 C2* A 01162 202.488 89.670 42.623 1.00737.35 C ATOM 23745 O2* A 01162 203.502 90.445 43.229 1.00737.35 O ATOM 23746 C1* A 01162 201.479 90.593 41.934 1.00737.35 C ATOM 23747 N9 A 01162 200.094 90.119 42.026 1.00737.35 N ATOM 23748 C8 A 01162 199.357 89.443 41.083 1.00737.35 C ATOM 23749 N7 A 01162 198.140 89.157 41.469 1.00737.35 N ATOM 23750 C5 A 01162 198.065 89.681 42.754 1.00737.35 C ATOM 23751 C6 A 01162 197.030 89.706 43.707 1.00737.35 C ATOM 23752 N6 A 01162 195.822 89.176 43.507 1.00737.35 N ATOM 23753 N1 A 01162 197.283 90.305 44.892 1.00737.35 N ATOM 23754 C2 A 01162 198.493 90.840 45.092 1.00737.35 C ATOM 23755 N3 A 01162 199.545 90.880 44.276 1.00737.35 N ATOM 23756 C4 A 01162 199.260 90.276 43.110 1.00737.35 C ATOM 23757 P C 01163 204.446 86.867 42.403 1.00737.35 P ATOM 23758 O1P C 01163 205.890 86.519 42.376 1.00737.35 O ATOM 23759 O2P C 01163 203.457 85.932 41.809 1.00737.35 O ATOM 23760 O5* C 01163 204.030 87.140 43.915 1.00737.35 O ATOM 23761 C5* C 01163 204.753 88.072 44.718 1.00737.35 C ATOM 23762 C4* C 01163 203.993 88.382 45.986 1.00737.35 C ATOM 23763 O4* C 01163 202.715 88.984 45.648 1.00737.35 O ATOM 23764 C3* C 01163 203.625 87.187 46.851 1.00737.35 C ATOM 23765 O3* C 01163 204.712 86.821 47.696 1.00737.35 O ATOM 23766 C2* C 01163 202.437 87.719 47.646 1.00737.35 C ATOM 23767 O2* C 01163 202.818 88.522 48.745 1.00737.35 O ATOM 23768 C1* C 01163 201.733 88.587 46.597 1.00737.35 C ATOM 23769 N1 C 01163 200.636 87.896 45.891 1.00737.35 N ATOM 23770 C2 C 01163 199.363 87.855 46.491 1.00737.35 C ATOM 23771 O2 C 01163 199.197 88.394 47.599 1.00737.35 O ATOM 23772 N3 C 01163 198.352 87.229 45.850 1.00737.35 N ATOM 23773 C4 C 01163 198.563 86.654 44.663 1.00737.35 C ATOM 23774 N4 C 01163 197.534 86.049 44.069 1.00737.35 N ATOM 23775 C5 C 01163 199.841 86.678 44.034 1.00737.35 C ATOM 23776 C6 C 01163 200.838 87.303 44.675 1.00737.35 C ATOM 23777 P C 01164 204.780 85.338 48.315 1.00737.35 P ATOM 23778 O1P C 01164 206.098 85.200 48.985 1.00737.35 O ATOM 23779 O2P C 01164 204.389 84.364 47.260 1.00737.35 O ATOM 23780 O5* C 01164 203.649 85.337 49.436 1.00737.35 O ATOM 23781 C5* C 01164 203.711 86.241 50.538 1.00737.35 C ATOM 23782 C4* C 01164 202.481 86.101 51.405 1.00737.35 C ATOM 23783 O4* C 01164 201.304 86.452 50.633 1.00737.35 O ATOM 23784 C3* C 01164 202.188 84.701 51.918 1.00737.35 C ATOM 23785 O3* C 01164 202.930 84.441 53.107 1.00737.35 O ATOM 23786 C2* C 01164 200.688 84.759 52.190 1.00737.35 C ATOM 23787 O2* C 01164 200.374 85.340 53.441 1.00737.35 O ATOM 23788 C1* C 01164 200.200 85.670 51.061 1.00737.35 C ATOM 23789 N1 C 01164 199.632 84.959 49.897 1.00737.35 N ATOM 23790 C2 C 01164 198.290 84.541 49.943 1.00737.35 C ATOM 23791 O2 C 01164 197.620 84.765 50.967 1.00737.35 O ATOM 23792 N3 C 01164 197.758 83.905 48.875 1.00737.35 N ATOM 23793 C4 C 01164 198.506 83.676 47.793 1.00737.35 C ATOM 23794 N4 C 01164 197.936 83.054 46.759 1.00737.35 N ATOM 23795 C5 C 01164 199.873 84.077 47.722 1.00737.35 C ATOM 23796 C6 C 01164 200.391 84.709 48.785 1.00737.35 C ATOM 23797 P G 01165 203.475 82.959 53.400 1.00737.35 P ATOM 23798 O1P G 01165 204.124 82.982 54.738 1.00737.35 O ATOM 23799 O2P G 01165 204.252 82.499 52.219 1.00737.35 O ATOM 23800 O5* G 01165 202.154 82.075 53.504 1.00737.35 O ATOM 23801 C5* G 01165 201.171 82.335 54.503 1.00737.35 C ATOM 23802 C4* G 01165 199.889 81.602 54.180 1.00737.35 C ATOM 23803 O4* G 01165 199.353 82.111 52.932 1.00737.35 O ATOM 23804 C3* G 01165 200.041 80.107 53.955 1.00737.35 C ATOM 23805 O3* G 01165 199.984 79.404 55.193 1.00737.35 O ATOM 23806 C2* G 01165 198.853 79.790 53.053 1.00737.35 C ATOM 23807 O2* G 01165 197.639 79.645 53.763 1.00737.35 O ATOM 23808 C1* G 01165 198.793 81.047 52.178 1.00737.35 C ATOM 23809 N9 G 01165 199.539 80.931 50.927 1.00737.35 N ATOM 23810 C8 G 01165 200.895 81.078 50.751 1.00737.35 C ATOM 23811 N7 G 01165 201.271 80.927 49.511 1.00737.35 N ATOM 23812 C5 G 01165 200.093 80.663 48.825 1.00737.35 C ATOM 23813 C6 G 01165 199.870 80.415 47.446 1.00737.35 C ATOM 23814 O6 G 01165 200.694 80.381 46.524 1.00737.35 O ATOM 23815 N1 G 01165 198.524 80.191 47.177 1.00737.35 N ATOM 23816 C2 G 01165 197.520 80.209 48.113 1.00737.35 C ATOM 23817 N2 G 01165 196.281 79.969 47.656 1.00737.35 N ATOM 23818 N3 G 01165 197.712 80.441 49.400 1.00737.35 N ATOM 23819 C4 G 01165 199.015 80.659 49.685 1.00737.35 C ATOM 23820 P A 01166 201.019 78.211 55.481 1.00737.35 P ATOM 23821 O1P A 01166 200.832 77.801 56.895 1.00737.35 O ATOM 23822 O2P A 01166 202.365 78.627 55.009 1.00737.35 O ATOM 23823 O5* A 01166 200.504 77.021 54.554 1.00737.35 O ATOM 23824 C5* A 01166 201.279 75.840 54.387 1.00737.35 C ATOM 23825 C4* A 01166 200.408 74.616 54.551 1.00737.35 C ATOM 23826 O4* A 01166 199.325 74.659 53.586 1.00737.35 O ATOM 23827 C3* A 01166 201.103 73.293 54.277 1.00737.35 C ATOM 23828 O3* A 01166 201.782 72.837 55.446 1.00737.35 O ATOM 23829 C2* A 01166 199.932 72.381 53.924 1.00737.35 C ATOM 23830 O2* A 01166 199.264 71.866 55.059 1.00737.35 O ATOM 23831 C1* A 01166 199.008 73.340 53.172 1.00737.35 C ATOM 23832 N9 A 01166 199.137 73.264 51.716 1.00737.35 N ATOM 23833 C8 A 01166 200.020 73.935 50.903 1.00737.35 C ATOM 23834 N7 A 01166 199.887 73.651 49.631 1.00737.35 N ATOM 23835 C5 A 01166 198.850 72.729 49.601 1.00737.35 C ATOM 23836 C6 A 01166 198.227 72.042 48.545 1.00737.35 C ATOM 23837 N6 A 01166 198.575 72.179 47.264 1.00737.35 N ATOM 23838 N1 A 01166 197.222 71.194 48.856 1.00737.35 N ATOM 23839 C2 A 01166 196.874 71.056 50.140 1.00737.35 C ATOM 23840 N3 A 01166 197.382 71.646 51.219 1.00737.35 N ATOM 23841 C4 A 01166 198.380 72.482 50.878 1.00737.35 C ATOM 23842 P A 01167 203.380 72.666 55.427 1.00737.35 P ATOM 23843 O1P A 01167 203.785 72.005 56.695 1.00737.35 O ATOM 23844 O2P A 01167 203.966 73.983 55.071 1.00737.35 O ATOM 23845 O5* A 01167 203.668 71.658 54.228 1.00737.35 O ATOM 23846 C5* A 01167 202.830 70.527 53.995 1.00737.35 C ATOM 23847 C4* A 01167 203.549 69.258 54.382 1.00737.35 C ATOM 23848 O4* A 01167 203.860 69.302 55.800 1.00737.35 O ATOM 23849 C3* A 01167 202.736 67.985 54.212 1.00737.35 C ATOM 23850 O3* A 01167 202.846 67.492 52.881 1.00737.35 O ATOM 23851 C2* A 01167 203.389 67.048 55.222 1.00737.35 C ATOM 23852 O2* A 01167 204.583 66.459 54.745 1.00737.35 O ATOM 23853 C1* A 01167 203.708 68.011 56.367 1.00737.35 C ATOM 23854 N9 A 01167 202.656 68.073 57.385 1.00737.35 N ATOM 23855 C8 A 01167 201.581 68.931 57.438 1.00737.35 C ATOM 23856 N7 A 01167 200.805 68.741 58.478 1.00737.35 N ATOM 23857 C5 A 01167 201.407 67.689 59.156 1.00737.35 C ATOM 23858 C6 A 01167 201.072 67.012 60.340 1.00737.35 C ATOM 23859 N6 A 01167 200.002 67.305 61.085 1.00737.35 N ATOM 23860 N1 A 01167 201.881 66.008 60.742 1.00737.35 N ATOM 23861 C2 A 01167 202.952 65.713 59.996 1.00737.35 C ATOM 23862 N3 A 01167 203.374 66.275 58.866 1.00737.35 N ATOM 23863 C4 A 01167 202.546 67.267 58.493 1.00737.35 C ATOM 23864 P G 01168 201.720 66.505 52.292 1.00737.35 P ATOM 23865 O1P G 01168 200.828 66.061 53.394 1.00737.35 O ATOM 23866 O2P G 01168 202.432 65.493 51.471 1.00737.35 O ATOM 23867 O5* G 01168 200.869 67.419 51.305 1.00737.35 O ATOM 23868 C5* G 01168 199.888 66.843 50.444 1.00737.35 C ATOM 23869 C4* G 01168 200.019 67.407 49.049 1.00737.35 C ATOM 23870 O4* G 01168 199.717 68.827 49.073 1.00737.35 O ATOM 23871 C3* G 01168 201.412 67.318 48.439 1.00737.35 C ATOM 23872 O3* G 01168 201.616 66.056 47.813 1.00737.35 O ATOM 23873 C2* G 01168 201.400 68.465 47.435 1.00737.35 C ATOM 23874 O2* G 01168 200.752 68.136 46.223 1.00737.35 O ATOM 23875 C1* G 01168 200.587 69.518 48.192 1.00737.35 C ATOM 23876 N9 G 01168 201.404 70.436 48.985 1.00737.35 N ATOM 23877 C8 G 01168 201.616 70.395 50.341 1.00737.35 C ATOM 23878 N7 G 01168 202.392 71.355 50.770 1.00737.35 N ATOM 23879 C5 G 01168 202.713 72.072 49.625 1.00737.35 C ATOM 23880 C6 G 01168 203.524 73.225 49.463 1.00737.35 C ATOM 23881 O6 G 01168 204.137 73.865 50.328 1.00737.35 O ATOM 23882 N1 G 01168 203.586 73.622 48.132 1.00737.35 N ATOM 23883 C2 G 01168 202.949 72.994 47.087 1.00737.35 C ATOM 23884 N2 G 01168 203.139 73.530 45.871 1.00737.35 N ATOM 23885 N3 G 01168 202.189 71.921 47.227 1.00737.35 N ATOM 23886 C4 G 01168 202.115 71.518 48.514 1.00737.35 C ATOM 23887 P C 01169 203.106 65.466 47.667 1.00737.35 P ATOM 23888 O1P C 01169 203.008 64.101 47.087 1.00737.35 O ATOM 23889 O2P C 01169 203.800 65.662 48.965 1.00737.35 O ATOM 23890 O5* C 01169 203.794 66.420 46.591 1.00737.35 O ATOM 23891 C5* C 01169 203.326 66.461 45.245 1.00737.35 C ATOM 23892 C4* C 01169 203.969 67.608 44.496 1.00737.35 C ATOM 23893 O4* C 01169 203.601 68.861 45.135 1.00737.35 O ATOM 23894 C3* C 01169 205.489 67.629 44.487 1.00737.35 C ATOM 23895 O3* C 01169 206.012 66.797 43.455 1.00737.35 O ATOM 23896 C2* C 01169 205.788 69.101 44.236 1.00737.35 C ATOM 23897 O2* C 01169 205.668 69.470 42.875 1.00737.35 O ATOM 23898 C1* C 01169 204.684 69.776 45.054 1.00737.35 C ATOM 23899 N1 C 01169 205.111 70.137 46.421 1.00737.35 N ATOM 23900 C2 C 01169 205.822 71.333 46.615 1.00737.35 C ATOM 23901 O2 C 01169 206.070 72.059 45.636 1.00737.35 O ATOM 23902 N3 C 01169 206.219 71.668 47.865 1.00737.35 N ATOM 23903 C4 C 01169 205.938 70.867 48.895 1.00737.35 C ATOM 23904 N4 C 01169 206.350 71.241 50.106 1.00737.35 N ATOM 23905 C5 C 01169 205.216 69.649 48.725 1.00737.35 C ATOM 23906 C6 C 01169 204.825 69.326 47.486 1.00737.35 C ATOM 23907 P U 01170 207.501 66.205 43.586 1.00737.35 P ATOM 23908 O1P U 01170 207.765 65.348 42.403 1.00737.35 O ATOM 23909 O2P U 01170 207.640 65.630 44.950 1.00737.35 O ATOM 23910 O5* U 01170 208.437 67.492 43.499 1.00737.35 O ATOM 23911 C5* U 01170 208.515 68.257 42.298 1.00737.35 C ATOM 23912 C4* U 01170 209.392 69.473 42.499 1.00737.35 C ATOM 23913 O4* U 01170 208.791 70.351 43.486 1.00737.35 O ATOM 23914 C3* U 01170 210.785 69.207 43.047 1.00737.35 C ATOM 23915 O3* U 01170 211.684 68.823 42.012 1.00737.35 O ATOM 23916 C2* U 01170 211.157 70.558 43.645 1.00737.35 C ATOM 23917 O2* U 01170 211.615 71.488 42.683 1.00737.35 O ATOM 23918 C1* U 01170 209.812 71.020 44.212 1.00737.35 C ATOM 23919 N1 U 01170 209.647 70.733 45.646 1.00737.35 N ATOM 23920 C2 U 01170 210.198 71.628 46.553 1.00737.35 C ATOM 23921 O2 U 01170 210.806 72.631 46.214 1.00737.35 O ATOM 23922 N3 U 01170 210.011 71.305 47.874 1.00737.35 N ATOM 23923 C4 U 01170 209.349 70.205 48.377 1.00737.35 C ATOM 23924 O4 U 01170 209.263 70.058 49.599 1.00737.35 O ATOM 23925 C5 U 01170 208.809 69.327 47.384 1.00737.35 C ATOM 23926 C6 U 01170 208.972 69.611 46.088 1.00737.35 C ATOM 23927 P A 01171 212.912 67.842 42.350 1.00737.35 P ATOM 23928 O1P A 01171 213.699 67.638 41.106 1.00737.35 O ATOM 23929 O2P A 01171 212.361 66.663 43.068 1.00737.35 O ATOM 23930 O5* A 01171 213.797 68.677 43.381 1.00737.35 O ATOM 23931 C5* A 01171 214.599 69.769 42.939 1.00737.35 C ATOM 23932 C4* A 01171 215.407 70.329 44.088 1.00737.35 C ATOM 23933 O4* A 01171 214.524 70.967 45.046 1.00737.35 O ATOM 23934 C3* A 01171 216.176 69.310 44.912 1.00737.35 C ATOM 23935 O3* A 01171 217.413 68.972 44.292 1.00737.35 O ATOM 23936 C2* A 01171 216.369 70.045 46.233 1.00737.35 C ATOM 23937 O2* A 01171 217.441 70.966 46.207 1.00737.35 O ATOM 23938 C1* A 01171 215.042 70.797 46.358 1.00737.35 C ATOM 23939 N9 A 01171 214.044 70.088 47.163 1.00737.35 N ATOM 23940 C8 A 01171 213.078 69.208 46.735 1.00737.35 C ATOM 23941 N7 A 01171 212.330 68.733 47.699 1.00737.35 N ATOM 23942 C5 A 01171 212.835 69.337 48.843 1.00737.35 C ATOM 23943 C6 A 01171 212.473 69.247 50.199 1.00737.35 C ATOM 23944 N6 A 01171 211.479 68.479 50.650 1.00737.35 N ATOM 23945 N1 A 01171 213.178 69.981 51.086 1.00737.35 N ATOM 23946 C2 A 01171 214.177 70.750 50.633 1.00737.35 C ATOM 23947 N3 A 01171 214.611 70.919 49.386 1.00737.35 N ATOM 23948 C4 A 01171 213.889 70.175 48.527 1.00737.35 C ATOM 23949 P U 01172 218.037 67.508 44.507 1.00737.35 P ATOM 23950 O1P U 01172 219.179 67.351 43.569 1.00737.35 O ATOM 23951 O2P U 01172 216.920 66.526 44.469 1.00737.35 O ATOM 23952 O5* U 01172 218.607 67.548 45.994 1.00737.35 O ATOM 23953 C5* U 01172 219.799 68.270 46.297 1.00737.35 C ATOM 23954 C4* U 01172 220.185 68.066 47.747 1.00737.35 C ATOM 23955 O4* U 01172 219.204 68.695 48.610 1.00737.35 O ATOM 23956 C3* U 01172 220.229 66.626 48.234 1.00737.35 C ATOM 23957 O3* U 01172 221.459 66.002 47.879 1.00737.35 O ATOM 23958 C2* U 01172 220.084 66.793 49.741 1.00737.35 C ATOM 23959 O2* U 01172 221.300 67.127 50.380 1.00737.35 O ATOM 23960 C1* U 01172 219.112 67.974 49.829 1.00737.35 C ATOM 23961 N1 U 01172 217.710 67.571 50.043 1.00737.35 N ATOM 23962 C2 U 01172 217.274 67.436 51.354 1.00737.35 C ATOM 23963 O2 U 01172 217.992 67.637 52.322 1.00737.35 O ATOM 23964 N3 U 01172 215.962 67.055 51.490 1.00737.35 N ATOM 23965 C4 U 01172 215.060 66.798 50.481 1.00737.35 C ATOM 23966 O4 U 01172 213.910 66.455 50.769 1.00737.35 O ATOM 23967 C5 U 01172 215.581 66.960 49.157 1.00737.35 C ATOM 23968 C6 U 01172 216.855 67.331 48.988 1.00737.35 C ATOM 23969 P G 01173 221.531 64.401 47.740 1.00737.35 P ATOM 23970 O1P G 01173 222.848 64.049 47.151 1.00737.35 O ATOM 23971 O2P G 01173 220.285 63.948 47.068 1.00737.35 O ATOM 23972 O5* G 01173 221.496 63.885 49.245 1.00737.35 O ATOM 23973 C5* G 01173 222.607 64.094 50.116 1.00737.35 C ATOM 23974 C4* G 01173 222.294 63.584 51.506 1.00737.35 C ATOM 23975 O4* G 01173 221.215 64.366 52.079 1.00737.35 O ATOM 23976 C3* G 01173 221.802 62.148 51.598 1.00737.35 C ATOM 23977 O3* G 01173 222.892 61.227 51.598 1.00737.35 O ATOM 23978 C2* G 01173 221.059 62.147 52.927 1.00737.35 C ATOM 23979 O2* G 01173 221.914 62.015 54.045 1.00737.35 O ATOM 23980 C1* G 01173 220.425 63.541 52.922 1.00737.35 C ATOM 23981 N9 G 01173 219.048 63.550 52.429 1.00737.35 N ATOM 23982 C8 G 01173 218.618 63.854 51.158 1.00737.35 C ATOM 23983 N7 G 01173 217.322 63.772 51.026 1.00737.35 N ATOM 23984 C5 G 01173 216.866 63.393 52.280 1.00737.35 C ATOM 23985 C6 G 01173 215.549 63.146 52.746 1.00737.35 C ATOM 23986 O6 G 01173 214.484 63.221 52.120 1.00737.35 O ATOM 23987 N1 G 01173 215.540 62.781 54.087 1.00737.35 N ATOM 23988 C2 G 01173 216.654 62.665 54.883 1.00737.35 C ATOM 23989 N2 G 01173 216.438 62.303 56.155 1.00737.35 N ATOM 23990 N3 G 01173 217.887 62.893 54.462 1.00737.35 N ATOM 23991 C4 G 01173 217.920 63.250 53.160 1.00737.35 C ATOM 23992 P G 01174 222.643 59.698 51.167 1.00737.35 P ATOM 23993 O1P G 01174 223.964 59.025 51.076 1.00737.35 O ATOM 23994 O2P G 01174 221.739 59.700 49.987 1.00737.35 O ATOM 23995 O5* G 01174 221.843 59.075 52.396 1.00737.35 O ATOM 23996 C5* G 01174 222.454 58.954 53.681 1.00737.35 C ATOM 23997 C4* G 01174 221.438 58.518 54.710 1.00737.35 C ATOM 23998 O4* G 01174 220.401 59.526 54.824 1.00737.35 O ATOM 23999 C3* G 01174 220.679 57.237 54.401 1.00737.35 C ATOM 24000 O3* G 01174 221.433 56.088 54.783 1.00737.35 O ATOM 24001 C2* G 01174 219.414 57.400 55.235 1.00737.35 C ATOM 24002 O2* G 01174 219.600 57.077 56.599 1.00737.35 O ATOM 24003 C1* G 01174 219.155 58.903 55.096 1.00737.35 C ATOM 24004 N9 G 01174 218.221 59.238 54.022 1.00737.35 N ATOM 24005 C8 G 01174 218.533 59.656 52.747 1.00737.35 C ATOM 24006 N7 G 01174 217.479 59.879 52.010 1.00737.35 N ATOM 24007 C5 G 01174 216.407 59.592 52.844 1.00737.35 C ATOM 24008 C6 G 01174 215.011 59.651 52.597 1.00737.35 C ATOM 24009 O6 G 01174 214.423 59.979 51.560 1.00737.35 O ATOM 24010 N1 G 01174 214.279 59.273 53.719 1.00737.35 N ATOM 24011 C2 G 01174 214.816 58.888 54.921 1.00737.35 C ATOM 24012 N2 G 01174 213.941 58.557 55.882 1.00737.35 N ATOM 24013 N3 G 01174 216.116 58.831 55.166 1.00737.35 N ATOM 24014 C4 G 01174 216.847 59.192 54.088 1.00737.35 C ATOM 24015 P A 01175 221.109 54.662 54.116 1.00737.35 P ATOM 24016 O1P A 01175 222.151 53.695 54.555 1.00737.35 O ATOM 24017 O2P A 01175 220.880 54.880 52.664 1.00737.35 O ATOM 24018 O5* A 01175 219.722 54.235 54.774 1.00737.35 O ATOM 24019 C5* A 01175 219.613 54.022 56.180 1.00737.35 C ATOM 24020 C4* A 01175 218.165 53.849 56.578 1.00737.35 C ATOM 24021 O4* A 01175 217.436 55.071 56.289 1.00737.35 O ATOM 24022 C3* A 01175 217.398 52.765 55.836 1.00737.35 C ATOM 24023 O3* A 01175 217.609 51.492 56.444 1.00737.35 O ATOM 24024 C2* A 01175 215.957 53.237 55.976 1.00737.35 C ATOM 24025 O2* A 01175 215.390 52.916 57.232 1.00737.35 O ATOM 24026 C1* A 01175 216.122 54.754 55.855 1.00737.35 C ATOM 24027 N9 A 01175 215.953 55.253 54.490 1.00737.35 N ATOM 24028 C8 A 01175 216.927 55.469 53.543 1.00737.35 C ATOM 24029 N7 A 01175 216.468 55.927 52.406 1.00737.35 N ATOM 24030 C5 A 01175 215.099 56.020 52.614 1.00737.35 C ATOM 24031 C6 A 01175 214.043 56.442 51.785 1.00737.35 C ATOM 24032 N6 A 01175 214.213 56.869 50.529 1.00737.35 N ATOM 24033 N1 A 01175 212.795 56.414 52.293 1.00737.35 N ATOM 24034 C2 A 01175 212.626 55.988 53.552 1.00737.35 C ATOM 24035 N3 A 01175 213.535 55.568 54.428 1.00737.35 N ATOM 24036 C4 A 01175 214.766 55.608 53.891 1.00737.35 C ATOM 24037 P U 01176 217.238 50.151 55.637 1.00737.35 P ATOM 24038 O1P U 01176 217.731 48.992 56.426 1.00737.35 O ATOM 24039 O2P U 01176 217.691 50.323 54.232 1.00737.35 O ATOM 24040 O5* U 01176 215.645 50.124 55.646 1.00737.35 O ATOM 24041 C5* U 01176 214.923 49.810 56.838 1.00737.35 C ATOM 24042 C4* U 01176 213.451 49.634 56.530 1.00737.35 C ATOM 24043 O4* U 01176 212.886 50.906 56.121 1.00737.35 O ATOM 24044 C3* U 01176 213.128 48.682 55.391 1.00737.35 C ATOM 24045 O3* U 01176 213.077 47.335 55.853 1.00737.35 O ATOM 24046 C2* U 01176 211.763 49.176 54.926 1.00737.35 C ATOM 24047 O2* U 01176 210.691 48.676 55.705 1.00737.35 O ATOM 24048 C1* U 01176 211.894 50.690 55.130 1.00737.35 C ATOM 24049 N1 U 01176 212.279 51.427 53.914 1.00737.35 N ATOM 24050 C2 U 01176 211.265 51.892 53.085 1.00737.35 C ATOM 24051 O2 U 01176 210.078 51.711 53.312 1.00737.35 O ATOM 24052 N3 U 01176 211.695 52.575 51.976 1.00737.35 N ATOM 24053 C4 U 01176 213.002 52.843 51.615 1.00737.35 C ATOM 24054 O4 U 01176 213.225 53.494 50.594 1.00737.35 O ATOM 24055 C5 U 01176 213.986 52.327 52.515 1.00737.35 C ATOM 24056 C6 U 01176 213.602 51.656 53.603 1.00737.35 C ATOM 24057 P U 01177 213.319 46.125 54.820 1.00737.35 P ATOM 24058 O1P U 01177 213.387 44.857 55.593 1.00737.35 O ATOM 24059 O2P U 01177 214.452 46.505 53.937 1.00737.35 O ATOM 24060 O5* U 01177 211.997 46.108 53.928 1.00737.35 O ATOM 24061 C5* U 01177 210.755 45.642 54.456 1.00737.35 C ATOM 24062 C4* U 01177 209.662 45.790 53.421 1.00737.35 C ATOM 24063 O4* U 01177 209.473 47.199 53.128 1.00737.35 O ATOM 24064 C3* U 01177 209.957 45.170 52.061 1.00737.35 C ATOM 24065 O3* U 01177 209.673 43.775 52.029 1.00737.35 O ATOM 24066 C2* U 01177 209.045 45.969 51.139 1.00737.35 C ATOM 24067 O2* U 01177 207.701 45.527 51.155 1.00737.35 O ATOM 24068 C1* U 01177 209.142 47.366 51.757 1.00737.35 C ATOM 24069 N1 U 01177 210.164 48.214 51.119 1.00737.35 N ATOM 24070 C2 U 01177 209.762 49.037 50.076 1.00737.35 C ATOM 24071 O2 U 01177 208.610 49.081 49.668 1.00737.35 O ATOM 24072 N3 U 01177 210.760 49.806 49.529 1.00737.35 N ATOM 24073 C4 U 01177 212.088 49.838 49.902 1.00737.35 C ATOM 24074 O4 U 01177 212.862 50.606 49.324 1.00737.35 O ATOM 24075 C5 U 01177 212.427 48.959 50.978 1.00737.35 C ATOM 24076 C6 U 01177 211.481 48.196 51.535 1.00737.35 C ATOM 24077 P C 01178 210.505 42.822 51.036 1.00737.35 P ATOM 24078 O1P C 01178 210.274 41.410 51.440 1.00737.35 O ATOM 24079 O2P C 01178 211.896 43.347 50.982 1.00737.35 O ATOM 24080 O5* C 01178 209.839 43.063 49.606 1.00737.35 O ATOM 24081 C5* C 01178 208.563 42.506 49.286 1.00737.35 C ATOM 24082 C4* C 01178 208.181 42.831 47.857 1.00737.35 C ATOM 24083 O4* C 01178 207.980 44.262 47.713 1.00737.35 O ATOM 24084 C3* C 01178 209.206 42.487 46.787 1.00737.35 C ATOM 24085 O3* C 01178 209.113 41.118 46.407 1.00737.35 O ATOM 24086 C2* C 01178 208.807 43.419 45.646 1.00737.35 C ATOM 24087 O2* C 01178 207.724 42.934 44.878 1.00737.35 O ATOM 24088 C1* C 01178 208.382 44.672 46.414 1.00737.35 C ATOM 24089 N1 C 01178 209.466 45.667 46.546 1.00737.35 N ATOM 24090 C2 C 01178 209.748 46.510 45.459 1.00737.35 C ATOM 24091 O2 C 01178 209.091 46.385 44.409 1.00737.35 O ATOM 24092 N3 C 01178 210.731 47.432 45.579 1.00737.35 N ATOM 24093 C4 C 01178 211.417 47.534 46.719 1.00737.35 C ATOM 24094 N4 C 01178 212.367 48.468 46.797 1.00737.35 N ATOM 24095 C5 C 01178 211.159 46.683 47.833 1.00737.35 C ATOM 24096 C6 C 01178 210.186 45.775 47.705 1.00737.35 C ATOM 24097 P A 01179 210.355 40.407 45.676 1.00737.35 P ATOM 24098 O1P A 01179 210.024 38.970 45.493 1.00737.35 O ATOM 24099 O2P A 01179 211.585 40.784 46.420 1.00737.35 O ATOM 24100 O5* A 01179 210.411 41.106 44.244 1.00737.35 O ATOM 24101 C5* A 01179 209.395 40.864 43.270 1.00737.35 C ATOM 24102 C4* A 01179 209.674 41.648 42.005 1.00737.35 C ATOM 24103 O4* A 01179 209.555 43.068 42.275 1.00737.35 O ATOM 24104 C3* A 01179 211.072 41.500 41.422 1.00737.35 C ATOM 24105 O3* A 01179 211.188 40.323 40.626 1.00737.35 O ATOM 24106 C2* A 01179 211.207 42.766 40.580 1.00737.35 C ATOM 24107 O2* A 01179 210.611 42.657 39.300 1.00737.35 O ATOM 24108 C1* A 01179 210.445 43.786 41.428 1.00737.35 C ATOM 24109 N9 A 01179 211.322 44.615 42.261 1.00737.35 N ATOM 24110 C8 A 01179 211.852 44.329 43.495 1.00737.35 C ATOM 24111 N7 A 01179 212.620 45.276 43.975 1.00737.35 N ATOM 24112 C5 A 01179 212.595 46.256 42.988 1.00737.35 C ATOM 24113 C6 A 01179 213.214 47.519 42.886 1.00737.35 C ATOM 24114 N6 A 01179 214.017 48.033 43.823 1.00737.35 N ATOM 24115 N1 A 01179 212.977 48.243 41.772 1.00737.35 N ATOM 24116 C2 A 01179 212.177 47.729 40.830 1.00737.35 C ATOM 24117 N3 A 01179 211.543 46.559 40.808 1.00737.35 N ATOM 24118 C4 A 01179 211.796 45.863 41.931 1.00737.35 C ATOM 24119 P A 01180 212.649 39.744 40.268 1.00737.35 P ATOM 24120 O1P A 01180 212.471 38.437 39.586 1.00737.35 O ATOM 24121 O2P A 01180 213.478 39.822 41.497 1.00737.35 O ATOM 24122 O5* A 01180 213.235 40.789 39.213 1.00737.35 O ATOM 24123 C5* A 01180 212.726 40.850 37.880 1.00737.35 C ATOM 24124 C4* A 01180 213.510 41.845 37.052 1.00737.35 C ATOM 24125 O4* A 01180 213.358 43.174 37.614 1.00737.35 O ATOM 24126 C3* A 01180 215.017 41.641 36.987 1.00737.35 C ATOM 24127 O3* A 01180 215.357 40.671 35.998 1.00737.35 O ATOM 24128 C2* A 01180 215.514 43.033 36.618 1.00737.35 C ATOM 24129 O2* A 01180 215.403 43.317 35.236 1.00737.35 O ATOM 24130 C1* A 01180 214.546 43.922 37.406 1.00737.35 C ATOM 24131 N9 A 01180 215.069 44.337 38.709 1.00737.35 N ATOM 24132 C8 A 01180 214.994 43.664 39.906 1.00737.35 C ATOM 24133 N7 A 01180 215.564 44.292 40.904 1.00737.35 N ATOM 24134 C5 A 01180 216.047 45.459 40.329 1.00737.35 C ATOM 24135 C6 A 01180 216.755 46.554 40.860 1.00737.35 C ATOM 24136 N6 A 01180 217.115 46.654 42.142 1.00737.35 N ATOM 24137 N1 A 01180 217.089 47.553 40.016 1.00737.35 N ATOM 24138 C2 A 01180 216.732 47.454 38.730 1.00737.35 C ATOM 24139 N3 A 01180 216.067 46.481 38.112 1.00737.35 N ATOM 24140 C4 A 01180 215.750 45.501 38.977 1.00737.35 C ATOM 24141 P C 01181 216.710 39.814 36.151 1.00737.35 P ATOM 24142 O1P C 01181 216.636 38.666 35.207 1.00737.35 O ATOM 24143 O2P C 01181 216.928 39.555 37.599 1.00737.35 O ATOM 24144 O5* C 01181 217.854 40.804 35.648 1.00737.35 O ATOM 24145 C5* C 01181 217.898 41.244 34.294 1.00737.35 C ATOM 24146 C4* C 01181 218.831 42.428 34.154 1.00737.35 C ATOM 24147 O4* C 01181 218.323 43.535 34.946 1.00737.35 O ATOM 24148 C3* C 01181 220.248 42.227 34.666 1.00737.35 C ATOM 24149 O3* C 01181 221.071 41.582 33.692 1.00737.35 O ATOM 24150 C2* C 01181 220.698 43.662 34.924 1.00737.35 C ATOM 24151 O2* C 01181 221.118 44.334 33.753 1.00737.35 O ATOM 24152 C1* C 01181 219.410 44.295 35.455 1.00737.35 C ATOM 24153 N1 C 01181 219.327 44.314 36.933 1.00737.35 N ATOM 24154 C2 C 01181 219.814 45.438 37.628 1.00737.35 C ATOM 24155 O2 C 01181 220.295 46.389 36.989 1.00737.35 O ATOM 24156 N3 C 01181 219.747 45.456 38.979 1.00737.35 N ATOM 24157 C4 C 01181 219.225 44.418 39.636 1.00737.35 C ATOM 24158 N4 C 01181 219.181 44.480 40.967 1.00737.35 N ATOM 24159 C5 C 01181 218.724 43.269 38.958 1.00737.35 C ATOM 24160 C6 C 01181 218.793 43.258 37.621 1.00737.35 C ATOM 24161 P U 01182 222.132 40.458 34.150 1.00737.35 P ATOM 24162 O1P U 01182 222.731 39.867 32.928 1.00737.35 O ATOM 24163 O2P U 01182 221.464 39.572 35.139 1.00737.35 O ATOM 24164 O5* U 01182 223.275 41.268 34.911 1.00737.35 O ATOM 24165 C5* U 01182 222.989 41.982 36.111 1.00737.35 C ATOM 24166 C4* U 01182 223.984 43.098 36.314 1.00737.35 C ATOM 24167 O4* U 01182 223.408 44.082 37.214 1.00737.35 O ATOM 24168 C3* U 01182 225.300 42.695 36.960 1.00737.35 C ATOM 24169 O3* U 01182 226.252 42.214 36.013 1.00737.35 O ATOM 24170 C2* U 01182 225.739 43.997 37.618 1.00737.35 C ATOM 24171 O2* U 01182 226.320 44.910 36.710 1.00737.35 O ATOM 24172 C1* U 01182 224.399 44.541 38.120 1.00737.35 C ATOM 24173 N1 U 01182 224.044 44.065 39.468 1.00737.35 N ATOM 24174 C2 U 01182 224.526 44.776 40.560 1.00737.35 C ATOM 24175 O2 U 01182 225.218 45.776 40.453 1.00737.35 O ATOM 24176 N3 U 01182 224.162 44.269 41.784 1.00737.35 N ATOM 24177 C4 U 01182 223.385 43.151 42.025 1.00737.35 C ATOM 24178 O4 U 01182 223.167 42.799 43.185 1.00737.35 O ATOM 24179 C5 U 01182 222.926 42.478 40.852 1.00737.35 C ATOM 24180 C6 U 01182 223.261 42.945 39.648 1.00737.35 C ATOM 24181 P C 01183 227.067 40.852 36.309 1.00737.35 P ATOM 24182 O1P C 01183 227.860 40.521 35.100 1.00737.35 O ATOM 24183 O2P C 01183 226.100 39.858 36.846 1.00737.35 O ATOM 24184 O5* C 01183 228.085 41.228 37.480 1.00737.35 O ATOM 24185 C5* C 01183 227.617 41.761 38.715 1.00737.35 C ATOM 24186 C4* C 01183 228.762 41.991 39.671 1.00737.35 C ATOM 24187 O4* C 01183 228.285 42.819 40.764 1.00737.35 O ATOM 24188 C3* C 01183 229.326 40.742 40.332 1.00737.35 C ATOM 24189 O3* C 01183 230.351 40.150 39.539 1.00737.35 O ATOM 24190 C2* C 01183 229.857 41.285 41.655 1.00737.35 C ATOM 24191 O2* C 01183 231.124 41.903 41.532 1.00737.35 O ATOM 24192 C1* C 01183 228.797 42.335 41.994 1.00737.35 C ATOM 24193 N1 C 01183 227.668 41.814 42.791 1.00737.35 N ATOM 24194 C2 C 01183 227.678 41.978 44.186 1.00737.35 C ATOM 24195 O2 C 01183 228.638 42.557 44.723 1.00737.35 O ATOM 24196 N3 C 01183 226.637 41.505 44.910 1.00737.35 N ATOM 24197 C4 C 01183 225.623 40.888 44.300 1.00737.35 C ATOM 24198 N4 C 01183 224.618 40.439 45.053 1.00737.35 N ATOM 24199 C5 C 01183 225.589 40.703 42.888 1.00737.35 C ATOM 24200 C6 C 01183 226.620 41.177 42.180 1.00737.35 C ATOM 24201 P G 01184 230.714 38.593 39.733 1.00737.35 P ATOM 24202 O1P G 01184 231.735 38.228 38.717 1.00737.35 O ATOM 24203 O2P G 01184 229.438 37.836 39.793 1.00737.35 O ATOM 24204 O5* G 01184 231.393 38.531 41.173 1.00737.35 O ATOM 24205 C5* G 01184 232.655 39.149 41.418 1.00737.35 C ATOM 24206 C4* G 01184 232.939 39.200 42.904 1.00737.35 C ATOM 24207 O4* G 01184 231.922 40.002 43.558 1.00737.35 O ATOM 24208 C3* G 01184 232.897 37.867 43.635 1.00737.35 C ATOM 24209 O3* G 01184 234.147 37.186 43.525 1.00737.35 O ATOM 24210 C2* G 01184 232.606 38.299 45.069 1.00737.35 C ATOM 24211 O2* G 01184 233.758 38.742 45.761 1.00737.35 O ATOM 24212 C1* G 01184 231.651 39.472 44.848 1.00737.35 C ATOM 24213 N9 G 01184 230.239 39.100 44.907 1.00737.35 N ATOM 24214 C8 G 01184 229.480 38.565 43.894 1.00737.35 C ATOM 24215 N7 G 01184 228.244 38.330 44.248 1.00737.35 N ATOM 24216 C5 G 01184 228.182 38.738 45.574 1.00737.35 C ATOM 24217 C6 G 01184 227.095 38.725 46.489 1.00737.35 C ATOM 24218 O6 G 01184 225.938 38.335 46.304 1.00737.35 O ATOM 24219 N1 G 01184 227.468 39.227 47.732 1.00737.35 N ATOM 24220 C2 G 01184 228.719 39.683 48.055 1.00737.35 C ATOM 24221 N2 G 01184 228.874 40.132 49.310 1.00737.35 N ATOM 24222 N3 G 01184 229.742 39.701 47.214 1.00737.35 N ATOM 24223 C4 G 01184 229.403 39.216 45.998 1.00737.35 C ATOM 24224 P C 01185 234.177 35.607 43.197 1.00737.35 P ATOM 24225 O1P C 01185 235.429 35.322 42.449 1.00737.35 O ATOM 24226 O2P C 01185 232.871 35.227 42.601 1.00737.35 O ATOM 24227 O5* C 01185 234.290 34.901 44.623 1.00737.35 O ATOM 24228 C5* C 01185 233.511 35.356 45.725 1.00737.35 C ATOM 24229 C4* C 01185 233.341 34.260 46.749 1.00737.35 C ATOM 24230 O4* C 01185 232.586 34.803 47.867 1.00737.35 O ATOM 24231 C3* C 01185 232.535 33.055 46.287 1.00737.35 C ATOM 24232 O3* C 01185 233.363 32.083 45.657 1.00737.35 O ATOM 24233 C2* C 01185 231.943 32.543 47.593 1.00737.35 C ATOM 24234 O2* C 01185 232.859 31.786 48.361 1.00737.35 O ATOM 24235 C1* C 01185 231.625 33.857 48.306 1.00737.35 C ATOM 24236 N1 C 01185 230.281 34.376 47.982 1.00737.35 N ATOM 24237 C2 C 01185 229.222 34.129 48.868 1.00737.35 C ATOM 24238 O2 C 01185 229.440 33.503 49.921 1.00737.35 O ATOM 24239 N3 C 01185 227.987 34.584 48.555 1.00737.35 N ATOM 24240 C4 C 01185 227.786 35.258 47.423 1.00737.35 C ATOM 24241 N4 C 01185 226.545 35.676 47.159 1.00737.35 N ATOM 24242 C5 C 01185 228.844 35.533 46.511 1.00737.35 C ATOM 24243 C6 C 01185 230.062 35.079 46.827 1.00737.35 C ATOM 24244 P G 01186 232.826 31.293 44.363 1.00737.35 P ATOM 24245 O1P G 01186 233.818 30.246 44.016 1.00737.35 O ATOM 24246 O2P G 01186 232.446 32.310 43.347 1.00737.35 O ATOM 24247 O5* G 01186 231.497 30.573 44.867 1.00737.35 O ATOM 24248 C5* G 01186 230.636 29.903 43.946 1.00737.35 C ATOM 24249 C4* G 01186 229.628 29.050 44.686 1.00737.35 C ATOM 24250 O4* G 01186 230.328 28.033 45.450 1.00737.35 O ATOM 24251 C3* G 01186 228.763 29.763 45.714 1.00737.35 C ATOM 24252 O3* G 01186 227.638 30.381 45.094 1.00737.35 O ATOM 24253 C2* G 01186 228.349 28.621 46.634 1.00737.35 C ATOM 24254 O2* G 01186 227.266 27.865 46.129 1.00737.35 O ATOM 24255 C1* G 01186 229.617 27.763 46.648 1.00737.35 C ATOM 24256 N9 G 01186 230.496 28.040 47.783 1.00737.35 N ATOM 24257 C8 G 01186 231.481 28.995 47.860 1.00737.35 C ATOM 24258 N7 G 01186 232.097 29.001 49.010 1.00737.35 N ATOM 24259 C5 G 01186 231.483 27.991 49.737 1.00737.35 C ATOM 24260 C6 G 01186 231.726 27.531 51.059 1.00737.35 C ATOM 24261 O6 G 01186 232.561 27.938 51.875 1.00737.35 O ATOM 24262 N1 G 01186 230.873 26.487 51.401 1.00737.35 N ATOM 24263 C2 G 01186 229.910 25.954 50.582 1.00737.35 C ATOM 24264 N2 G 01186 229.187 24.948 51.095 1.00737.35 N ATOM 24265 N3 G 01186 229.674 26.373 49.348 1.00737.35 N ATOM 24266 C4 G 01186 230.492 27.387 48.994 1.00737.35 C ATOM 24267 P A 01187 226.856 31.567 45.849 1.00737.35 P ATOM 24268 O1P A 01187 226.065 32.318 44.840 1.00737.35 O ATOM 24269 O2P A 01187 227.836 32.294 46.695 1.00737.35 O ATOM 24270 O5* A 01187 225.840 30.809 46.817 1.00737.35 O ATOM 24271 C5* A 01187 224.800 29.989 46.288 1.00737.35 C ATOM 24272 C4* A 01187 224.100 29.240 47.399 1.00737.35 C ATOM 24273 O4* A 01187 225.069 28.403 48.091 1.00737.35 O ATOM 24274 C3* A 01187 223.473 30.087 48.497 1.00737.35 C ATOM 24275 O3* A 01187 222.238 30.685 48.056 1.00737.35 O ATOM 24276 C2* A 01187 223.478 29.137 49.693 1.00737.35 C ATOM 24277 O2* A 01187 222.451 28.166 49.709 1.00737.35 O ATOM 24278 C1* A 01187 224.814 28.419 49.487 1.00737.35 C ATOM 24279 N9 A 01187 225.942 29.072 50.154 1.00737.35 N ATOM 24280 C8 A 01187 226.758 30.062 49.656 1.00737.35 C ATOM 24281 N7 A 01187 227.691 30.448 50.490 1.00737.35 N ATOM 24282 C5 A 01187 227.478 29.662 51.613 1.00737.35 C ATOM 24283 C6 A 01187 228.137 29.588 52.853 1.00737.35 C ATOM 24284 N6 A 01187 229.188 30.345 53.179 1.00737.35 N ATOM 24285 N1 A 01187 227.676 28.697 53.758 1.00737.35 N ATOM 24286 C2 A 01187 226.624 27.937 53.430 1.00737.35 C ATOM 24287 N3 A 01187 225.921 27.914 52.299 1.00737.35 N ATOM 24288 C4 A 01187 226.405 28.810 51.420 1.00737.35 C ATOM 24289 P A 01188 220.806 30.101 48.519 1.00737.35 P ATOM 24290 O1P A 01188 220.704 28.685 48.081 1.00737.35 O ATOM 24291 O2P A 01188 219.791 31.080 48.055 1.00737.35 O ATOM 24292 O5* A 01188 220.811 30.153 50.113 1.00737.35 O ATOM 24293 C5* A 01188 219.755 29.540 50.856 1.00737.35 C ATOM 24294 C4* A 01188 219.814 29.939 52.313 1.00737.35 C ATOM 24295 O4* A 01188 221.055 29.475 52.899 1.00737.35 O ATOM 24296 C3* A 01188 219.794 31.429 52.619 1.00737.35 C ATOM 24297 O3* A 01188 218.454 31.917 52.629 1.00737.35 O ATOM 24298 C2* A 01188 220.403 31.477 54.018 1.00737.35 C ATOM 24299 O2* A 01188 219.467 31.210 55.043 1.00737.35 O ATOM 24300 C1* A 01188 221.429 30.343 53.957 1.00737.35 C ATOM 24301 N9 A 01188 222.806 30.789 53.738 1.00737.35 N ATOM 24302 C8 A 01188 223.475 30.956 52.548 1.00737.35 C ATOM 24303 N7 A 01188 224.714 31.363 52.691 1.00737.35 N ATOM 24304 C5 A 01188 224.872 31.476 54.065 1.00737.35 C ATOM 24305 C6 A 01188 225.963 31.864 54.865 1.00737.35 C ATOM 24306 N6 A 01188 227.150 32.228 54.374 1.00737.35 N ATOM 24307 N1 A 01188 225.791 31.867 56.203 1.00737.35 N ATOM 24308 C2 A 01188 224.601 31.501 56.697 1.00737.35 C ATOM 24309 N3 A 01188 223.504 31.118 56.052 1.00737.35 N ATOM 24310 C4 A 01188 223.707 31.125 54.721 1.00737.35 C ATOM 24311 P G 01189 218.119 33.362 52.005 1.00737.35 P ATOM 24312 O1P G 01189 216.712 33.701 52.341 1.00737.35 O ATOM 24313 O2P G 01189 218.549 33.347 50.585 1.00737.35 O ATOM 24314 O5* G 01189 219.072 34.366 52.795 1.00737.35 O ATOM 24315 C5* G 01189 219.043 34.446 54.219 1.00737.35 C ATOM 24316 C4* G 01189 220.320 35.072 54.726 1.00737.35 C ATOM 24317 O4* G 01189 221.444 34.257 54.293 1.00737.35 O ATOM 24318 C3* G 01189 220.622 36.458 54.180 1.00737.35 C ATOM 24319 O3* G 01189 219.987 37.470 54.956 1.00737.35 O ATOM 24320 C2* G 01189 222.141 36.518 54.266 1.00737.35 C ATOM 24321 O2* G 01189 222.613 36.792 55.571 1.00737.35 O ATOM 24322 C1* G 01189 222.513 35.088 53.871 1.00737.35 C ATOM 24323 N9 G 01189 222.683 34.906 52.432 1.00737.35 N ATOM 24324 C8 G 01189 221.724 35.064 51.458 1.00737.35 C ATOM 24325 N7 G 01189 222.170 34.823 50.256 1.00737.35 N ATOM 24326 C5 G 01189 223.503 34.487 50.442 1.00737.35 C ATOM 24327 C6 G 01189 224.493 34.120 49.501 1.00737.35 C ATOM 24328 O6 G 01189 224.390 34.022 48.271 1.00737.35 O ATOM 24329 N1 G 01189 225.712 33.856 50.119 1.00737.35 N ATOM 24330 C2 G 01189 225.947 33.935 51.469 1.00737.35 C ATOM 24331 N2 G 01189 227.197 33.641 51.871 1.00737.35 N ATOM 24332 N3 G 01189 225.030 34.275 52.360 1.00737.35 N ATOM 24333 C4 G 01189 223.839 34.534 51.781 1.00737.35 C ATOM 24334 P C 01190 219.817 38.952 54.352 1.00737.35 P ATOM 24335 O1P C 01190 219.074 39.772 55.342 1.00737.35 O ATOM 24336 O2P C 01190 219.289 38.821 52.967 1.00737.35 O ATOM 24337 O5* C 01190 221.311 39.502 54.265 1.00737.35 O ATOM 24338 C5* C 01190 222.074 39.732 55.449 1.00737.35 C ATOM 24339 C4* C 01190 223.361 40.456 55.118 1.00737.35 C ATOM 24340 O4* C 01190 224.216 39.597 54.321 1.00737.35 O ATOM 24341 C3* C 01190 223.206 41.717 54.286 1.00737.35 C ATOM 24342 O3* C 01190 222.890 42.830 55.117 1.00737.35 O ATOM 24343 C2* C 01190 224.580 41.848 53.638 1.00737.35 C ATOM 24344 O2* C 01190 225.539 42.447 54.486 1.00737.35 O ATOM 24345 C1* C 01190 224.942 40.380 53.385 1.00737.35 C ATOM 24346 N1 C 01190 224.613 39.909 52.025 1.00737.35 N ATOM 24347 C2 C 01190 225.604 39.959 51.024 1.00737.35 C ATOM 24348 O2 C 01190 226.731 40.396 51.301 1.00737.35 O ATOM 24349 N3 C 01190 225.301 39.525 49.777 1.00737.35 N ATOM 24350 C4 C 01190 224.079 39.060 49.509 1.00737.35 C ATOM 24351 N4 C 01190 223.826 38.641 48.266 1.00737.35 N ATOM 24352 C5 C 01190 223.058 39.001 50.502 1.00737.35 C ATOM 24353 C6 C 01190 223.365 39.432 51.732 1.00737.35 C ATOM 24354 P G 01191 221.855 43.947 54.597 1.00737.35 P ATOM 24355 O1P G 01191 221.245 44.589 55.789 1.00737.35 O ATOM 24356 O2P G 01191 220.978 43.319 53.578 1.00737.35 O ATOM 24357 O5* G 01191 222.781 45.015 53.860 1.00737.35 O ATOM 24358 C5* G 01191 223.710 45.816 54.594 1.00737.35 C ATOM 24359 C4* G 01191 224.773 46.370 53.673 1.00737.35 C ATOM 24360 O4* G 01191 225.528 45.270 53.094 1.00737.35 O ATOM 24361 C3* G 01191 224.277 47.156 52.468 1.00737.35 C ATOM 24362 O3* G 01191 223.998 48.517 52.791 1.00737.35 O ATOM 24363 C2* G 01191 225.439 47.017 51.492 1.00737.35 C ATOM 24364 O2* G 01191 226.516 47.891 51.769 1.00737.35 O ATOM 24365 C1* G 01191 225.864 45.571 51.746 1.00737.35 C ATOM 24366 N9 G 01191 225.172 44.621 50.878 1.00737.35 N ATOM 24367 C8 G 01191 223.943 44.047 51.098 1.00737.35 C ATOM 24368 N7 G 01191 223.578 43.232 50.149 1.00737.35 N ATOM 24369 C5 G 01191 224.629 43.267 49.242 1.00737.35 C ATOM 24370 C6 G 01191 224.801 42.582 48.015 1.00737.35 C ATOM 24371 O6 G 01191 224.035 41.781 47.471 1.00737.35 O ATOM 24372 N1 G 01191 226.009 42.907 47.412 1.00737.35 N ATOM 24373 C2 G 01191 226.936 43.780 47.925 1.00737.35 C ATOM 24374 N2 G 01191 228.043 43.964 47.186 1.00737.35 N ATOM 24375 N3 G 01191 226.792 44.424 49.072 1.00737.35 N ATOM 24376 C4 G 01191 225.621 44.121 49.675 1.00737.35 C ATOM 24377 P A 01192 223.067 49.394 51.813 1.00737.35 P ATOM 24378 O1P A 01192 222.712 50.662 52.496 1.00737.35 O ATOM 24379 O2P A 01192 221.985 48.510 51.301 1.00737.35 O ATOM 24380 O5* A 01192 224.016 49.741 50.582 1.00737.35 O ATOM 24381 C5* A 01192 225.114 50.639 50.726 1.00737.35 C ATOM 24382 C4* A 01192 225.869 50.747 49.423 1.00737.35 C ATOM 24383 O4* A 01192 226.379 49.431 49.069 1.00737.35 O ATOM 24384 C3* A 01192 225.029 51.146 48.222 1.00737.35 C ATOM 24385 O3* A 01192 224.863 52.557 48.130 1.00737.35 O ATOM 24386 C2* A 01192 225.824 50.567 47.059 1.00737.35 C ATOM 24387 O2* A 01192 226.932 51.360 46.679 1.00737.35 O ATOM 24388 C1* A 01192 226.312 49.250 47.663 1.00737.35 C ATOM 24389 N9 A 01192 225.428 48.115 47.377 1.00737.35 N ATOM 24390 C8 A 01192 224.620 47.420 48.244 1.00737.35 C ATOM 24391 N7 A 01192 223.954 46.444 47.677 1.00737.35 N ATOM 24392 C5 A 01192 224.342 46.502 46.348 1.00737.35 C ATOM 24393 C6 A 01192 223.987 45.734 45.224 1.00737.35 C ATOM 24394 N6 A 01192 223.126 44.715 45.273 1.00737.35 N ATOM 24395 N1 A 01192 224.553 46.052 44.040 1.00737.35 N ATOM 24396 C2 A 01192 225.417 47.076 43.999 1.00737.35 C ATOM 24397 N3 A 01192 225.831 47.871 44.985 1.00737.35 N ATOM 24398 C4 A 01192 225.247 47.527 46.147 1.00737.35 C ATOM 24399 P G 01193 223.528 53.152 47.463 1.00737.35 P ATOM 24400 O1P G 01193 223.520 54.629 47.626 1.00737.35 O ATOM 24401 O2P G 01193 222.382 52.355 47.970 1.00737.35 O ATOM 24402 O5* G 01193 223.698 52.808 45.918 1.00737.35 O ATOM 24403 C5* G 01193 224.643 53.509 45.120 1.00737.35 C ATOM 24404 C4* G 01193 224.267 53.411 43.662 1.00737.35 C ATOM 24405 O4* G 01193 224.486 52.058 43.188 1.00737.35 O ATOM 24406 C3* G 01193 222.808 53.683 43.327 1.00737.35 C ATOM 24407 O3* G 01193 222.482 55.075 43.497 1.00737.35 O ATOM 24408 C2* G 01193 222.657 52.988 41.975 1.00737.35 C ATOM 24409 O2* G 01193 223.166 53.717 40.877 1.00737.35 O ATOM 24410 C1* G 01193 223.535 51.749 42.176 1.00737.35 C ATOM 24411 N9 G 01193 222.814 50.534 42.561 1.00737.35 N ATOM 24412 C8 G 01193 222.540 50.087 43.834 1.00737.35 C ATOM 24413 N7 G 01193 221.879 48.960 43.851 1.00737.35 N ATOM 24414 C5 G 01193 221.703 48.643 42.512 1.00737.35 C ATOM 24415 C6 G 01193 221.053 47.533 41.906 1.00737.35 C ATOM 24416 O6 G 01193 220.483 46.579 42.449 1.00737.35 O ATOM 24417 N1 G 01193 221.107 47.606 40.518 1.00737.35 N ATOM 24418 C2 G 01193 221.705 48.612 39.801 1.00737.35 C ATOM 24419 N2 G 01193 221.648 48.498 38.465 1.00737.35 N ATOM 24420 N3 G 01193 222.314 49.650 40.351 1.00737.35 N ATOM 24421 C4 G 01193 222.274 49.602 41.701 1.00737.35 C ATOM 24422 P U 01194 222.268 56.057 42.235 1.00737.35 P ATOM 24423 O1P U 01194 223.541 56.154 41.479 1.00737.35 O ATOM 24424 O2P U 01194 221.652 57.293 42.784 1.00737.35 O ATOM 24425 O5* U 01194 221.168 55.372 41.309 1.00737.35 O ATOM 24426 C5* U 01194 220.890 55.925 40.026 1.00737.35 C ATOM 24427 C4* U 01194 219.599 55.387 39.457 1.00737.35 C ATOM 24428 O4* U 01194 219.731 53.969 39.162 1.00737.35 O ATOM 24429 C3* U 01194 218.341 55.455 40.306 1.00737.35 C ATOM 24430 O3* U 01194 217.865 56.799 40.482 1.00737.35 O ATOM 24431 C2* U 01194 217.439 54.434 39.611 1.00737.35 C ATOM 24432 O2* U 01194 216.832 54.880 38.415 1.00737.35 O ATOM 24433 C1* U 01194 218.455 53.350 39.245 1.00737.35 C ATOM 24434 N1 U 01194 218.510 52.254 40.228 1.00737.35 N ATOM 24435 C2 U 01194 217.715 51.142 39.994 1.00737.35 C ATOM 24436 O2 U 01194 216.990 51.033 39.017 1.00737.35 O ATOM 24437 N3 U 01194 217.800 50.159 40.949 1.00737.35 N ATOM 24438 C4 U 01194 218.579 50.167 42.087 1.00737.35 C ATOM 24439 O4 U 01194 218.554 49.197 42.847 1.00737.35 O ATOM 24440 C5 U 01194 219.371 51.347 42.258 1.00737.35 C ATOM 24441 C6 U 01194 219.314 52.323 41.346 1.00737.35 C ATOM 24442 P U 01195 216.914 57.498 39.385 1.00737.35 P ATOM 24443 O1P U 01195 217.509 57.280 38.043 1.00737.35 O ATOM 24444 O2P U 01195 216.676 58.885 39.859 1.00737.35 O ATOM 24445 O5* U 01195 215.521 56.722 39.467 1.00737.35 O ATOM 24446 C5* U 01195 214.528 56.929 38.463 1.00737.35 C ATOM 24447 C4* U 01195 213.371 55.971 38.627 1.00737.35 C ATOM 24448 O4* U 01195 213.853 54.603 38.633 1.00737.35 O ATOM 24449 C3* U 01195 212.550 56.049 39.904 1.00737.35 C ATOM 24450 O3* U 01195 211.616 57.126 39.846 1.00737.35 O ATOM 24451 C2* U 01195 211.839 54.699 39.898 1.00737.35 C ATOM 24452 O2* U 01195 210.709 54.682 39.051 1.00737.35 O ATOM 24453 C1* U 01195 212.917 53.781 39.314 1.00737.35 C ATOM 24454 N1 U 01195 213.615 52.969 40.323 1.00737.35 N ATOM 24455 C2 U 01195 213.213 51.648 40.470 1.00737.35 C ATOM 24456 O2 U 01195 212.322 51.144 39.803 1.00737.35 O ATOM 24457 N3 U 01195 213.888 50.939 41.429 1.00737.35 N ATOM 24458 C4 U 01195 214.905 51.394 42.241 1.00737.35 C ATOM 24459 O4 U 01195 215.412 50.627 43.061 1.00737.35 O ATOM 24460 C5 U 01195 215.269 52.763 42.032 1.00737.35 C ATOM 24461 C6 U 01195 214.629 53.486 41.103 1.00737.35 C ATOM 24462 P G 01196 210.882 57.628 41.191 1.00737.35 P ATOM 24463 O1P G 01196 210.421 59.025 40.977 1.00737.35 O ATOM 24464 O2P G 01196 211.764 57.318 42.344 1.00737.35 O ATOM 24465 O5* G 01196 209.596 56.691 41.304 1.00737.35 O ATOM 24466 C5* G 01196 208.585 56.707 40.299 1.00737.35 C ATOM 24467 C4* G 01196 207.682 55.505 40.446 1.00737.35 C ATOM 24468 O4* G 01196 208.490 54.299 40.348 1.00737.35 O ATOM 24469 C3* G 01196 206.974 55.364 41.784 1.00737.35 C ATOM 24470 O3* G 01196 205.770 56.125 41.832 1.00737.35 O ATOM 24471 C2* G 01196 206.697 53.869 41.836 1.00737.35 C ATOM 24472 O2* G 01196 205.590 53.479 41.048 1.00737.35 O ATOM 24473 C1* G 01196 207.984 53.310 41.234 1.00737.35 C ATOM 24474 N9 G 01196 209.007 53.014 42.238 1.00737.35 N ATOM 24475 C8 G 01196 210.094 53.786 42.577 1.00737.35 C ATOM 24476 N7 G 01196 210.837 53.248 43.506 1.00737.35 N ATOM 24477 C5 G 01196 210.201 52.051 43.803 1.00737.35 C ATOM 24478 C6 G 01196 210.543 51.035 44.733 1.00737.35 C ATOM 24479 O6 G 01196 211.513 50.988 45.505 1.00737.35 O ATOM 24480 N1 G 01196 209.619 49.992 44.715 1.00737.35 N ATOM 24481 C2 G 01196 208.511 49.935 43.903 1.00737.35 C ATOM 24482 N2 G 01196 207.737 48.848 44.033 1.00737.35 N ATOM 24483 N3 G 01196 208.185 50.872 43.031 1.00737.35 N ATOM 24484 C4 G 01196 209.067 51.893 43.032 1.00737.35 C ATOM 24485 P U 01197 205.344 56.859 43.200 1.00737.35 P ATOM 24486 O1P U 01197 203.944 57.339 43.063 1.00737.35 O ATOM 24487 O2P U 01197 206.420 57.827 43.533 1.00737.35 O ATOM 24488 O5* U 01197 205.370 55.702 44.298 1.00737.35 O ATOM 24489 C5* U 01197 204.619 54.502 44.121 1.00737.35 C ATOM 24490 C4* U 01197 205.174 53.397 44.994 1.00737.35 C ATOM 24491 O4* U 01197 206.584 53.213 44.691 1.00737.35 O ATOM 24492 C3* U 01197 205.149 53.666 46.490 1.00737.35 C ATOM 24493 O3* U 01197 203.886 53.312 47.042 1.00737.35 O ATOM 24494 C2* U 01197 206.254 52.750 47.001 1.00737.35 C ATOM 24495 O2* U 01197 205.842 51.405 47.149 1.00737.35 O ATOM 24496 C1* U 01197 207.283 52.857 45.875 1.00737.35 C ATOM 24497 N1 U 01197 208.333 53.857 46.129 1.00737.35 N ATOM 24498 C2 U 01197 209.394 53.490 46.949 1.00737.35 C ATOM 24499 O2 U 01197 209.490 52.384 47.462 1.00737.35 O ATOM 24500 N3 U 01197 210.338 54.465 47.147 1.00737.35 N ATOM 24501 C4 U 01197 210.339 55.743 46.628 1.00737.35 C ATOM 24502 O4 U 01197 211.266 56.506 46.900 1.00737.35 O ATOM 24503 C5 U 01197 209.218 56.049 45.795 1.00737.35 C ATOM 24504 C6 U 01197 208.278 55.122 45.579 1.00737.35 C ATOM 24505 P C 01198 203.270 54.179 48.246 1.00737.35 P ATOM 24506 O1P C 01198 202.133 53.413 48.815 1.00737.35 O ATOM 24507 O2P C 01198 203.041 55.556 47.736 1.00737.35 O ATOM 24508 O5* C 01198 204.439 54.236 49.328 1.00737.35 O ATOM 24509 C5* C 01198 204.890 53.052 49.981 1.00737.35 C ATOM 24510 C4* C 01198 206.151 53.332 50.770 1.00737.35 C ATOM 24511 O4* C 01198 207.219 53.718 49.866 1.00737.35 O ATOM 24512 C3* C 01198 206.072 54.482 51.760 1.00737.35 C ATOM 24513 O3* C 01198 205.490 54.061 52.988 1.00737.35 O ATOM 24514 C2* C 01198 207.539 54.863 51.926 1.00737.35 C ATOM 24515 O2* C 01198 208.237 54.015 52.815 1.00737.35 O ATOM 24516 C1* C 01198 208.062 54.666 50.500 1.00737.35 C ATOM 24517 N1 C 01198 208.066 55.913 49.704 1.00737.35 N ATOM 24518 C2 C 01198 209.173 56.775 49.797 1.00737.35 C ATOM 24519 O2 C 01198 210.120 56.468 50.539 1.00737.35 O ATOM 24520 N3 C 01198 209.181 57.919 49.074 1.00737.35 N ATOM 24521 C4 C 01198 208.145 58.218 48.284 1.00737.35 C ATOM 24522 N4 C 01198 208.197 59.357 47.591 1.00737.35 N ATOM 24523 C5 C 01198 207.012 57.362 48.172 1.00737.35 C ATOM 24524 C6 C 01198 207.013 56.233 48.891 1.00737.35 C ATOM 24525 P U 01199 204.616 55.097 53.850 1.00737.35 P ATOM 24526 O1P U 01199 205.504 56.193 54.306 1.00737.35 O ATOM 24527 O2P U 01199 203.861 54.300 54.850 1.00737.35 O ATOM 24528 O5* U 01199 203.573 55.702 52.804 1.00737.35 O ATOM 24529 C5* U 01199 202.747 54.852 52.017 1.00737.35 C ATOM 24530 C4* U 01199 201.536 55.603 51.503 1.00737.35 C ATOM 24531 O4* U 01199 200.798 54.705 50.633 1.00737.35 O ATOM 24532 C3* U 01199 200.535 56.045 52.564 1.00737.35 C ATOM 24533 O3* U 01199 200.783 57.381 53.003 1.00737.35 O ATOM 24534 C2* U 01199 199.212 56.029 51.804 1.00737.35 C ATOM 24535 O2* U 01199 198.988 57.205 51.052 1.00737.35 O ATOM 24536 C1* U 01199 199.407 54.846 50.854 1.00737.35 C ATOM 24537 N1 U 01199 198.885 53.570 51.371 1.00737.35 N ATOM 24538 C2 U 01199 197.566 53.247 51.087 1.00737.35 C ATOM 24539 O2 U 01199 196.823 53.971 50.441 1.00737.35 O ATOM 24540 N3 U 01199 197.147 52.040 51.588 1.00737.35 N ATOM 24541 C4 U 01199 197.890 51.144 52.327 1.00737.35 C ATOM 24542 O4 U 01199 197.380 50.081 52.678 1.00737.35 O ATOM 24543 C5 U 01199 199.235 51.551 52.584 1.00737.35 C ATOM 24544 C6 U 01199 199.677 52.718 52.111 1.00737.35 C ATOM 24545 P G 01200 201.825 57.685 54.195 1.00737.35 P ATOM 24546 O1P G 01200 201.172 58.636 55.126 1.00737.35 O ATOM 24547 O2P G 01200 203.099 58.069 53.540 1.00737.35 O ATOM 24548 O5* G 01200 202.073 56.311 54.969 1.00737.35 O ATOM 24549 C5* G 01200 201.007 55.502 55.473 1.00737.35 C ATOM 24550 C4* G 01200 200.321 56.178 56.636 1.00737.35 C ATOM 24551 O4* G 01200 199.369 57.143 56.106 1.00737.35 O ATOM 24552 C3* G 01200 199.484 55.239 57.491 1.00737.35 C ATOM 24553 O3* G 01200 200.278 54.694 58.540 1.00737.35 O ATOM 24554 C2* G 01200 198.392 56.160 58.022 1.00737.35 C ATOM 24555 O2* G 01200 198.814 56.948 59.116 1.00737.35 O ATOM 24556 C1* G 01200 198.140 57.051 56.805 1.00737.35 C ATOM 24557 N9 G 01200 197.135 56.517 55.886 1.00737.35 N ATOM 24558 C8 G 01200 197.335 56.086 54.596 1.00737.35 C ATOM 24559 N7 G 01200 196.245 55.664 54.019 1.00737.35 N ATOM 24560 C5 G 01200 195.261 55.827 54.982 1.00737.35 C ATOM 24561 C6 G 01200 193.872 55.541 54.933 1.00737.35 C ATOM 24562 O6 G 01200 193.215 55.074 53.997 1.00737.35 O ATOM 24563 N1 G 01200 193.245 55.854 56.132 1.00737.35 N ATOM 24564 C2 G 01200 193.869 56.378 57.238 1.00737.35 C ATOM 24565 N2 G 01200 193.087 56.612 58.299 1.00737.35 N ATOM 24566 N3 G 01200 195.161 56.650 57.297 1.00737.35 N ATOM 24567 C4 G 01200 195.792 56.351 56.141 1.00737.35 C ATOM 24568 P G 01201 200.129 53.143 58.933 1.00737.35 P ATOM 24569 O1P G 01201 200.961 52.912 60.142 1.00737.35 O ATOM 24570 O2P G 01201 200.367 52.328 57.715 1.00737.35 O ATOM 24571 O5* G 01201 198.598 52.992 59.345 1.00737.35 O ATOM 24572 C5* G 01201 198.039 53.774 60.401 1.00737.35 C ATOM 24573 C4* G 01201 196.542 53.586 60.450 1.00737.35 C ATOM 24574 O4* G 01201 195.955 54.078 59.217 1.00737.35 O ATOM 24575 C3* G 01201 196.073 52.144 60.553 1.00737.35 C ATOM 24576 O3* G 01201 196.045 51.731 61.917 1.00737.35 O ATOM 24577 C2* G 01201 194.678 52.206 59.944 1.00737.35 C ATOM 24578 O2* G 01201 193.692 52.645 60.856 1.00737.35 O ATOM 24579 C1* G 01201 194.869 53.247 58.838 1.00737.35 C ATOM 24580 N9 G 01201 195.161 52.675 57.523 1.00737.35 N ATOM 24581 C8 G 01201 196.338 52.772 56.818 1.00737.35 C ATOM 24582 N7 G 01201 196.295 52.164 55.664 1.00737.35 N ATOM 24583 C5 G 01201 195.017 51.630 55.602 1.00737.35 C ATOM 24584 C6 G 01201 194.390 50.862 54.586 1.00737.35 C ATOM 24585 O6 G 01201 194.854 50.491 53.502 1.00737.35 O ATOM 24586 N1 G 01201 193.086 50.525 54.932 1.00737.35 N ATOM 24587 C2 G 01201 192.463 50.878 56.101 1.00737.35 C ATOM 24588 N2 G 01201 191.199 50.458 56.249 1.00737.35 N ATOM 24589 N3 G 01201 193.036 51.593 57.057 1.00737.35 N ATOM 24590 C4 G 01201 194.304 51.935 56.742 1.00737.35 C ATOM 24591 P U 01202 195.897 50.172 62.282 1.00737.35 P ATOM 24592 O1P U 01202 197.010 49.832 63.206 1.00737.35 O ATOM 24593 O2P U 01202 195.719 49.384 61.034 1.00737.35 O ATOM 24594 O5* U 01202 194.534 50.108 63.104 1.00737.35 O ATOM 24595 C5* U 01202 194.373 50.845 64.314 1.00737.35 C ATOM 24596 C4* U 01202 192.927 50.823 64.754 1.00737.35 C ATOM 24597 O4* U 01202 192.113 51.542 63.789 1.00737.35 O ATOM 24598 C3* U 01202 192.290 49.446 64.832 1.00737.35 C ATOM 24599 O3* U 01202 192.584 48.812 66.071 1.00737.35 O ATOM 24600 C2* U 01202 190.809 49.766 64.686 1.00737.35 C ATOM 24601 O2* U 01202 190.212 50.213 65.889 1.00737.35 O ATOM 24602 C1* U 01202 190.846 50.909 63.668 1.00737.35 C ATOM 24603 N1 U 01202 190.674 50.458 62.275 1.00737.35 N ATOM 24604 C2 U 01202 189.381 50.294 61.801 1.00737.35 C ATOM 24605 O2 U 01202 188.389 50.512 62.478 1.00737.35 O ATOM 24606 N3 U 01202 189.292 49.866 60.499 1.00737.35 N ATOM 24607 C4 U 01202 190.338 49.592 59.641 1.00737.35 C ATOM 24608 O4 U 01202 190.092 49.201 58.499 1.00737.35 O ATOM 24609 C5 U 01202 191.637 49.786 60.201 1.00737.35 C ATOM 24610 C6 U 01202 191.761 50.202 61.465 1.00737.35 C ATOM 24611 P A 01203 193.050 47.274 66.084 1.00737.35 P ATOM 24612 O1P A 01203 193.146 46.855 67.506 1.00737.35 O ATOM 24613 O2P A 01203 194.234 47.136 65.199 1.00737.35 O ATOM 24614 O5* A 01203 191.832 46.499 65.409 1.00737.35 O ATOM 24615 C5* A 01203 190.647 46.214 66.148 1.00737.35 C ATOM 24616 C4* A 01203 189.744 45.289 65.360 1.00737.35 C ATOM 24617 O4* A 01203 189.219 45.989 64.202 1.00737.35 O ATOM 24618 C3* A 01203 190.410 44.057 64.775 1.00737.35 C ATOM 24619 O3* A 01203 190.529 43.015 65.735 1.00737.35 O ATOM 24620 C2* A 01203 189.454 43.685 63.647 1.00737.35 C ATOM 24621 O2* A 01203 188.316 42.974 64.095 1.00737.35 O ATOM 24622 C1* A 01203 189.036 45.067 63.136 1.00737.35 C ATOM 24623 N9 A 01203 189.818 45.515 61.981 1.00737.35 N ATOM 24624 C8 A 01203 190.797 46.477 61.934 1.00737.35 C ATOM 24625 N7 A 01203 191.313 46.649 60.741 1.00737.35 N ATOM 24626 C5 A 01203 190.628 45.738 59.949 1.00737.35 C ATOM 24627 C6 A 01203 190.712 45.425 58.579 1.00737.35 C ATOM 24628 N6 A 01203 191.553 46.021 57.731 1.00737.35 N ATOM 24629 N1 A 01203 189.889 44.466 58.104 1.00737.35 N ATOM 24630 C2 A 01203 189.043 43.870 58.953 1.00737.35 C ATOM 24631 N3 A 01203 188.872 44.075 60.255 1.00737.35 N ATOM 24632 C4 A 01203 189.705 45.034 60.697 1.00737.35 C ATOM 24633 P G 01204 191.872 42.130 65.787 1.00737.35 P ATOM 24634 O1P G 01204 191.585 40.941 66.628 1.00737.35 O ATOM 24635 O2P G 01204 193.006 43.022 66.142 1.00737.35 O ATOM 24636 O5* G 01204 192.072 41.640 64.282 1.00737.35 O ATOM 24637 C5* G 01204 191.107 40.802 63.655 1.00737.35 C ATOM 24638 C4* G 01204 191.556 40.428 62.260 1.00737.35 C ATOM 24639 O4* G 01204 191.618 41.616 61.425 1.00737.35 O ATOM 24640 C3* G 01204 192.946 39.827 62.138 1.00737.35 C ATOM 24641 O3* G 01204 192.935 38.439 62.454 1.00737.35 O ATOM 24642 C2* G 01204 193.274 40.078 60.670 1.00737.35 C ATOM 24643 O2* G 01204 192.695 39.126 59.799 1.00737.35 O ATOM 24644 C1* G 01204 192.628 41.448 60.441 1.00737.35 C ATOM 24645 N9 G 01204 193.569 42.559 60.537 1.00737.35 N ATOM 24646 C8 G 01204 193.922 43.263 61.665 1.00737.35 C ATOM 24647 N7 G 01204 194.800 44.201 61.432 1.00737.35 N ATOM 24648 C5 G 01204 195.043 44.114 60.067 1.00737.35 C ATOM 24649 C6 G 01204 195.908 44.875 59.235 1.00737.35 C ATOM 24650 O6 G 01204 196.658 45.808 59.546 1.00737.35 O ATOM 24651 N1 G 01204 195.845 44.452 57.912 1.00737.35 N ATOM 24652 C2 G 01204 195.055 43.431 57.444 1.00737.35 C ATOM 24653 N2 G 01204 195.135 43.174 56.130 1.00737.35 N ATOM 24654 N3 G 01204 194.246 42.714 58.207 1.00737.35 N ATOM 24655 C4 G 01204 194.290 43.107 59.499 1.00737.35 C ATOM 24656 P G 01205 194.295 37.713 62.905 1.00737.35 P ATOM 24657 O1P G 01205 193.937 36.336 63.338 1.00737.35 O ATOM 24658 O2P G 01205 195.025 38.607 63.842 1.00737.35 O ATOM 24659 O5* G 01205 195.136 37.610 61.556 1.00737.35 O ATOM 24660 C5* G 01205 194.699 36.777 60.486 1.00737.35 C ATOM 24661 C4* G 01205 195.575 36.973 59.270 1.00737.35 C ATOM 24662 O4* G 01205 195.415 38.325 58.765 1.00737.35 O ATOM 24663 C3* G 01205 197.072 36.839 59.492 1.00737.35 C ATOM 24664 O3* G 01205 197.477 35.475 59.483 1.00737.35 O ATOM 24665 C2* G 01205 197.640 37.614 58.310 1.00737.35 C ATOM 24666 O2* G 01205 197.659 36.865 57.110 1.00737.35 O ATOM 24667 C1* G 01205 196.635 38.763 58.186 1.00737.35 C ATOM 24668 N9 G 01205 197.068 39.982 58.862 1.00737.35 N ATOM 24669 C8 G 01205 196.719 40.413 60.119 1.00737.35 C ATOM 24670 N7 G 01205 197.276 41.546 60.448 1.00737.35 N ATOM 24671 C5 G 01205 198.038 41.889 59.339 1.00737.35 C ATOM 24672 C6 G 01205 198.871 43.017 59.107 1.00737.35 C ATOM 24673 O6 G 01205 199.107 43.971 59.859 1.00737.35 O ATOM 24674 N1 G 01205 199.459 42.967 57.848 1.00737.35 N ATOM 24675 C2 G 01205 199.273 41.964 56.928 1.00737.35 C ATOM 24676 N2 G 01205 199.931 42.095 55.766 1.00737.35 N ATOM 24677 N3 G 01205 198.504 40.909 57.131 1.00737.35 N ATOM 24678 C4 G 01205 197.921 40.935 58.349 1.00737.35 C ATOM 24679 P G 01206 198.825 35.041 60.244 1.00737.35 P ATOM 24680 O1P G 01206 198.945 33.566 60.122 1.00737.35 O ATOM 24681 O2P G 01206 198.832 35.668 61.592 1.00737.35 O ATOM 24682 O5* G 01206 199.985 35.710 59.376 1.00737.35 O ATOM 24683 C5* G 01206 200.235 35.278 58.042 1.00737.35 C ATOM 24684 C4* G 01206 201.325 36.116 57.410 1.00737.35 C ATOM 24685 O4* G 01206 200.871 37.486 57.264 1.00737.35 O ATOM 24686 C3* G 01206 202.619 36.243 58.198 1.00737.35 C ATOM 24687 O3* G 01206 203.456 35.109 58.003 1.00737.35 O ATOM 24688 C2* G 01206 203.228 37.511 57.607 1.00737.35 C ATOM 24689 O2* G 01206 203.890 37.290 56.379 1.00737.35 O ATOM 24690 C1* G 01206 201.979 38.367 57.372 1.00737.35 C ATOM 24691 N9 G 01206 201.721 39.326 58.446 1.00737.35 N ATOM 24692 C8 G 01206 200.809 39.212 59.470 1.00737.35 C ATOM 24693 N7 G 01206 200.818 40.236 60.280 1.00737.35 N ATOM 24694 C5 G 01206 201.793 41.078 59.759 1.00737.35 C ATOM 24695 C6 G 01206 202.251 42.345 60.211 1.00737.35 C ATOM 24696 O6 G 01206 201.877 42.999 61.195 1.00737.35 O ATOM 24697 N1 G 01206 203.253 42.849 59.386 1.00737.35 N ATOM 24698 C2 G 01206 203.751 42.219 58.275 1.00737.35 C ATOM 24699 N2 G 01206 204.717 42.867 57.610 1.00737.35 N ATOM 24700 N3 G 01206 203.332 41.040 57.843 1.00737.35 N ATOM 24701 C4 G 01206 202.358 40.532 58.628 1.00737.35 C ATOM 24702 P G 01207 204.581 34.750 59.096 1.00737.35 P ATOM 24703 O1P G 01207 205.189 33.458 58.695 1.00737.35 O ATOM 24704 O2P G 01207 203.987 34.891 60.450 1.00737.35 O ATOM 24705 O5* G 01207 205.673 35.895 58.909 1.00737.35 O ATOM 24706 C5* G 01207 206.401 36.017 57.689 1.00737.35 C ATOM 24707 C4* G 01207 207.332 37.207 57.743 1.00737.35 C ATOM 24708 O4* G 01207 206.560 38.430 57.849 1.00737.35 O ATOM 24709 C3* G 01207 208.279 37.265 58.931 1.00737.35 C ATOM 24710 O3* G 01207 209.428 36.452 58.712 1.00737.35 O ATOM 24711 C2* G 01207 208.629 38.748 58.986 1.00737.35 C ATOM 24712 O2* G 01207 209.631 39.118 58.060 1.00737.35 O ATOM 24713 C1* G 01207 207.298 39.393 58.587 1.00737.35 C ATOM 24714 N9 G 01207 206.497 39.831 59.728 1.00737.35 N ATOM 24715 C8 G 01207 205.448 39.164 60.321 1.00737.35 C ATOM 24716 N7 G 01207 204.930 39.814 61.328 1.00737.35 N ATOM 24717 C5 G 01207 205.681 40.981 61.406 1.00737.35 C ATOM 24718 C6 G 01207 205.585 42.079 62.306 1.00737.35 C ATOM 24719 O6 G 01207 204.793 42.245 63.242 1.00737.35 O ATOM 24720 N1 G 01207 206.542 43.049 62.027 1.00737.35 N ATOM 24721 C2 G 01207 207.470 42.977 61.019 1.00737.35 C ATOM 24722 N2 G 01207 208.311 44.016 60.913 1.00737.35 N ATOM 24723 N3 G 01207 207.570 41.963 60.178 1.00737.35 N ATOM 24724 C4 G 01207 206.651 41.006 60.427 1.00737.35 C ATOM 24725 P A 01208 210.276 35.916 59.967 1.00737.35 P ATOM 24726 O1P A 01208 211.286 34.961 59.441 1.00737.35 O ATOM 24727 O2P A 01208 209.333 35.474 61.026 1.00737.35 O ATOM 24728 O5* A 01208 211.042 37.211 60.493 1.00737.35 O ATOM 24729 C5* A 01208 211.995 37.882 59.669 1.00737.35 C ATOM 24730 C4* A 01208 212.506 39.125 60.358 1.00737.35 C ATOM 24731 O4* A 01208 211.413 40.060 60.549 1.00737.35 O ATOM 24732 C3* A 01208 213.076 38.927 61.752 1.00737.35 C ATOM 24733 O3* A 01208 214.432 38.492 61.693 1.00737.35 O ATOM 24734 C2* A 01208 212.940 40.319 62.359 1.00737.35 C ATOM 24735 O2* A 01208 213.982 41.196 61.977 1.00737.35 O ATOM 24736 C1* A 01208 211.618 40.793 61.747 1.00737.35 C ATOM 24737 N9 A 01208 210.457 40.594 62.620 1.00737.35 N ATOM 24738 C8 A 01208 209.677 39.471 62.758 1.00737.35 C ATOM 24739 N7 A 01208 208.702 39.606 63.623 1.00737.35 N ATOM 24740 C5 A 01208 208.846 40.905 64.088 1.00737.35 C ATOM 24741 C6 A 01208 208.119 41.661 65.028 1.00737.35 C ATOM 24742 N6 A 01208 207.058 41.197 65.692 1.00737.35 N ATOM 24743 N1 A 01208 208.524 42.928 65.263 1.00737.35 N ATOM 24744 C2 A 01208 209.588 43.394 64.596 1.00737.35 C ATOM 24745 N3 A 01208 210.351 42.784 63.692 1.00737.35 N ATOM 24746 C4 A 01208 209.923 41.527 63.480 1.00737.35 C ATOM 24747 P G 01209 215.127 37.855 62.996 1.00737.35 P ATOM 24748 O1P G 01209 216.443 37.309 62.569 1.00737.35 O ATOM 24749 O2P G 01209 214.147 36.963 63.668 1.00737.35 O ATOM 24750 O5* G 01209 215.396 39.117 63.930 1.00737.35 O ATOM 24751 C5* G 01209 215.502 38.977 65.345 1.00737.35 C ATOM 24752 C4* G 01209 215.329 40.324 66.007 1.00737.35 C ATOM 24753 O4* G 01209 214.087 40.922 65.552 1.00737.35 O ATOM 24754 C3* G 01209 215.212 40.303 67.523 1.00737.35 C ATOM 24755 O3* G 01209 216.501 40.298 68.132 1.00737.35 O ATOM 24756 C2* G 01209 214.445 41.588 67.804 1.00737.35 C ATOM 24757 O2* G 01209 215.265 42.740 67.780 1.00737.35 O ATOM 24758 C1* G 01209 213.474 41.623 66.622 1.00737.35 C ATOM 24759 N9 G 01209 212.182 41.001 66.904 1.00737.35 N ATOM 24760 C8 G 01209 211.728 39.783 66.452 1.00737.35 C ATOM 24761 N7 G 01209 210.526 39.497 66.870 1.00737.35 N ATOM 24762 C5 G 01209 210.162 40.588 67.647 1.00737.35 C ATOM 24763 C6 G 01209 208.964 40.847 68.364 1.00737.35 C ATOM 24764 O6 G 01209 207.951 40.141 68.454 1.00737.35 O ATOM 24765 N1 G 01209 209.019 42.074 69.018 1.00737.35 N ATOM 24766 C2 G 01209 210.085 42.940 68.988 1.00737.35 C ATOM 24767 N2 G 01209 209.945 44.075 69.689 1.00737.35 N ATOM 24768 N3 G 01209 211.203 42.713 68.324 1.00737.35 N ATOM 24769 C4 G 01209 211.173 41.525 67.680 1.00737.35 C ATOM 24770 P C 01210 216.653 39.876 69.677 1.00737.35 P ATOM 24771 O1P C 01210 218.103 39.685 69.942 1.00737.35 O ATOM 24772 O2P C 01210 215.706 38.767 69.966 1.00737.35 O ATOM 24773 O5* C 01210 216.166 41.167 70.476 1.00737.35 O ATOM 24774 C5* C 01210 216.874 42.400 70.378 1.00737.35 C ATOM 24775 C4* C 01210 216.356 43.392 71.393 1.00737.35 C ATOM 24776 O4* C 01210 214.972 43.714 71.096 1.00737.35 O ATOM 24777 C3* C 01210 216.327 42.906 72.833 1.00737.35 C ATOM 24778 O3* C 01210 217.597 43.079 73.454 1.00737.35 O ATOM 24779 C2* C 01210 215.265 43.807 73.457 1.00737.35 C ATOM 24780 O2* C 01210 215.763 45.080 73.822 1.00737.35 O ATOM 24781 C1* C 01210 214.268 43.952 72.305 1.00737.35 C ATOM 24782 N1 C 01210 213.116 43.028 72.380 1.00737.35 N ATOM 24783 C2 C 01210 212.035 43.356 73.221 1.00737.35 C ATOM 24784 O2 C 01210 212.076 44.402 73.891 1.00737.35 O ATOM 24785 N3 C 01210 210.973 42.518 73.282 1.00737.35 N ATOM 24786 C4 C 01210 210.959 41.399 72.556 1.00737.35 C ATOM 24787 N4 C 01210 209.886 40.608 72.648 1.00737.35 N ATOM 24788 C5 C 01210 212.043 41.040 71.702 1.00737.35 C ATOM 24789 C6 C 01210 213.090 41.875 71.645 1.00737.35 C ATOM 24790 P G 01211 218.096 42.021 74.557 1.00737.35 P ATOM 24791 O1P G 01211 219.380 42.529 75.106 1.00737.35 O ATOM 24792 O2P G 01211 218.042 40.661 73.962 1.00737.35 O ATOM 24793 O5* G 01211 216.994 42.110 75.702 1.00737.35 O ATOM 24794 C5* G 01211 216.797 43.316 76.442 1.00737.35 C ATOM 24795 C4* G 01211 215.500 43.247 77.216 1.00737.35 C ATOM 24796 O4* G 01211 214.388 43.142 76.287 1.00737.35 O ATOM 24797 C3* G 01211 215.346 42.042 78.131 1.00737.35 C ATOM 24798 O3* G 01211 215.967 42.272 79.392 1.00737.35 O ATOM 24799 C2* G 01211 213.831 41.917 78.246 1.00737.35 C ATOM 24800 O2* G 01211 213.267 42.816 79.178 1.00737.35 O ATOM 24801 C1* G 01211 213.390 42.288 76.828 1.00737.35 C ATOM 24802 N9 G 01211 213.240 41.135 75.944 1.00737.35 N ATOM 24803 C8 G 01211 214.153 40.663 75.030 1.00737.35 C ATOM 24804 N7 G 01211 213.734 39.608 74.385 1.00737.35 N ATOM 24805 C5 G 01211 212.470 39.369 74.903 1.00737.35 C ATOM 24806 C6 G 01211 211.527 38.354 74.591 1.00737.35 C ATOM 24807 O6 G 01211 211.623 37.438 73.764 1.00737.35 O ATOM 24808 N1 G 01211 210.371 38.478 75.354 1.00737.35 N ATOM 24809 C2 G 01211 210.148 39.450 76.298 1.00737.35 C ATOM 24810 N2 G 01211 208.966 39.401 76.933 1.00737.35 N ATOM 24811 N3 G 01211 211.016 40.401 76.598 1.00737.35 N ATOM 24812 C4 G 01211 212.149 40.300 75.866 1.00737.35 C ATOM 24813 P U 01212 216.353 41.026 80.329 1.00737.35 P ATOM 24814 O1P U 01212 217.217 41.548 81.421 1.00737.35 O ATOM 24815 O2P U 01212 216.846 39.917 79.473 1.00737.35 O ATOM 24816 O5* U 01212 214.959 40.582 80.963 1.00737.35 O ATOM 24817 C5* U 01212 214.319 41.383 81.956 1.00737.35 C ATOM 24818 C4* U 01212 213.373 40.539 82.782 1.00737.35 C ATOM 24819 O4* U 01212 212.236 40.139 81.973 1.00737.35 O ATOM 24820 C3* U 01212 213.942 39.231 83.302 1.00737.35 C ATOM 24821 O3* U 01212 214.695 39.429 84.494 1.00737.35 O ATOM 24822 C2* U 01212 212.686 38.403 83.541 1.00737.35 C ATOM 24823 O2* U 01212 212.046 38.707 84.766 1.00737.35 O ATOM 24824 C1* U 01212 211.801 38.845 82.373 1.00737.35 C ATOM 24825 N1 U 01212 211.858 37.946 81.206 1.00737.35 N ATOM 24826 C2 U 01212 211.141 36.755 81.273 1.00737.35 C ATOM 24827 O2 U 01212 210.488 36.422 82.251 1.00737.35 O ATOM 24828 N3 U 01212 211.225 35.968 80.149 1.00737.35 N ATOM 24829 C4 U 01212 211.934 36.235 78.994 1.00737.35 C ATOM 24830 O4 U 01212 211.898 35.433 78.061 1.00737.35 O ATOM 24831 C5 U 01212 212.647 37.474 79.007 1.00737.35 C ATOM 24832 C6 U 01212 212.587 38.266 80.082 1.00737.35 C ATOM 24833 P U 01213 215.909 38.436 84.844 1.00737.35 P ATOM 24834 O1P U 01213 216.522 38.911 86.112 1.00737.35 O ATOM 24835 O2P U 01213 216.757 38.282 83.633 1.00737.35 O ATOM 24836 O5* U 01213 215.191 37.041 85.128 1.00737.35 O ATOM 24837 C5* U 01213 214.295 36.890 86.227 1.00737.35 C ATOM 24838 C4* U 01213 213.659 35.519 86.205 1.00737.35 C ATOM 24839 O4* U 01213 212.825 35.389 85.025 1.00737.35 O ATOM 24840 C3* U 01213 214.620 34.344 86.112 1.00737.35 C ATOM 24841 O3* U 01213 215.130 34.001 87.396 1.00737.35 O ATOM 24842 C2* U 01213 213.730 33.247 85.536 1.00737.35 C ATOM 24843 O2* U 01213 212.924 32.617 86.512 1.00737.35 O ATOM 24844 C1* U 01213 212.848 34.044 84.572 1.00737.35 C ATOM 24845 N1 U 01213 213.315 34.016 83.175 1.00737.35 N ATOM 24846 C2 U 01213 212.941 32.934 82.387 1.00737.35 C ATOM 24847 O2 U 01213 212.256 32.012 82.804 1.00737.35 O ATOM 24848 N3 U 01213 213.404 32.970 81.094 1.00737.35 N ATOM 24849 C4 U 01213 214.183 33.952 80.517 1.00737.35 C ATOM 24850 O4 U 01213 214.511 33.847 79.335 1.00737.35 O ATOM 24851 C5 U 01213 214.530 35.032 81.390 1.00737.35 C ATOM 24852 C6 U 01213 214.095 35.029 82.655 1.00737.35 C ATOM 24853 P C 01214 216.529 33.214 87.512 1.00737.35 P ATOM 24854 O1P C 01214 216.850 33.101 88.958 1.00737.35 O ATOM 24855 O2P C 01214 217.509 33.847 86.592 1.00737.35 O ATOM 24856 O5* C 01214 216.195 31.757 86.959 1.00737.35 O ATOM 24857 C5* C 01214 215.311 30.892 87.668 1.00737.35 C ATOM 24858 C4* C 01214 215.062 29.627 86.880 1.00737.35 C ATOM 24859 O4* C 01214 214.362 29.946 85.649 1.00737.35 O ATOM 24860 C3* C 01214 216.300 28.875 86.416 1.00737.35 C ATOM 24861 O3* C 01214 216.806 28.040 87.454 1.00737.35 O ATOM 24862 C2* C 01214 215.764 28.065 85.241 1.00737.35 C ATOM 24863 O2* C 01214 215.102 26.881 85.642 1.00737.35 O ATOM 24864 C1* C 01214 214.753 29.039 84.631 1.00737.35 C ATOM 24865 N1 C 01214 215.281 29.805 83.480 1.00737.35 N ATOM 24866 C2 C 01214 215.206 29.236 82.197 1.00737.35 C ATOM 24867 O2 C 01214 214.701 28.108 82.062 1.00737.35 O ATOM 24868 N3 C 01214 215.684 29.930 81.139 1.00737.35 N ATOM 24869 C4 C 01214 216.220 31.139 81.320 1.00737.35 C ATOM 24870 N4 C 01214 216.677 31.785 80.245 1.00737.35 N ATOM 24871 C5 C 01214 216.309 31.739 82.609 1.00737.35 C ATOM 24872 C6 C 01214 215.835 31.044 83.651 1.00737.35 C ATOM 24873 P A 01215 218.376 27.701 87.513 1.00737.35 P ATOM 24874 O1P A 01215 218.611 26.910 88.747 1.00737.35 O ATOM 24875 O2P A 01215 219.141 28.955 87.291 1.00737.35 O ATOM 24876 O5* A 01215 218.611 26.749 86.256 1.00737.35 O ATOM 24877 C5* A 01215 217.992 25.463 86.190 1.00737.35 C ATOM 24878 C4* A 01215 218.101 24.900 84.791 1.00737.35 C ATOM 24879 O4* A 01215 217.383 25.764 83.867 1.00737.35 O ATOM 24880 C3* A 01215 219.504 24.819 84.213 1.00737.35 C ATOM 24881 O3* A 01215 220.167 23.634 84.639 1.00737.35 O ATOM 24882 C2* A 01215 219.234 24.820 82.712 1.00737.35 C ATOM 24883 O2* A 01215 218.857 23.551 82.214 1.00737.35 O ATOM 24884 C1* A 01215 218.054 25.788 82.616 1.00737.35 C ATOM 24885 N9 A 01215 218.456 27.167 82.331 1.00737.35 N ATOM 24886 C8 A 01215 218.698 28.184 83.223 1.00737.35 C ATOM 24887 N7 A 01215 219.044 29.315 82.657 1.00737.35 N ATOM 24888 C5 A 01215 219.029 29.025 81.300 1.00737.35 C ATOM 24889 C6 A 01215 219.307 29.806 80.163 1.00737.35 C ATOM 24890 N6 A 01215 219.666 31.090 80.215 1.00737.35 N ATOM 24891 N1 A 01215 219.200 29.212 78.954 1.00737.35 N ATOM 24892 C2 A 01215 218.838 27.925 78.901 1.00737.35 C ATOM 24893 N3 A 01215 218.554 27.088 79.895 1.00737.35 N ATOM 24894 C4 A 01215 218.667 27.707 81.083 1.00737.35 C ATOM 24895 P G 01216 221.765 23.521 84.518 1.00737.35 P ATOM 24896 O1P G 01216 222.179 22.307 85.266 1.00737.35 O ATOM 24897 O2P G 01216 222.361 24.836 84.869 1.00737.35 O ATOM 24898 O5* G 01216 222.011 23.261 82.965 1.00737.35 O ATOM 24899 C5* G 01216 221.650 22.018 82.364 1.00737.35 C ATOM 24900 C4* G 01216 222.053 21.999 80.908 1.00737.35 C ATOM 24901 O4* G 01216 221.266 22.969 80.171 1.00737.35 O ATOM 24902 C3* G 01216 223.493 22.387 80.614 1.00737.35 C ATOM 24903 O3* G 01216 224.366 21.274 80.787 1.00737.35 O ATOM 24904 C2* G 01216 223.418 22.832 79.158 1.00737.35 C ATOM 24905 O2* G 01216 223.446 21.752 78.244 1.00737.35 O ATOM 24906 C1* G 01216 222.044 23.510 79.115 1.00737.35 C ATOM 24907 N9 G 01216 222.095 24.962 79.264 1.00737.35 N ATOM 24908 C8 G 01216 221.893 25.690 80.416 1.00737.35 C ATOM 24909 N7 G 01216 221.997 26.979 80.234 1.00737.35 N ATOM 24910 C5 G 01216 222.285 27.113 78.881 1.00737.35 C ATOM 24911 C6 G 01216 222.506 28.277 78.099 1.00737.35 C ATOM 24912 O6 G 01216 222.491 29.463 78.455 1.00737.35 O ATOM 24913 N1 G 01216 222.771 27.959 76.771 1.00737.35 N ATOM 24914 C2 G 01216 222.813 26.686 76.257 1.00737.35 C ATOM 24915 N2 G 01216 223.084 26.585 74.948 1.00737.35 N ATOM 24916 N3 G 01216 222.608 25.592 76.973 1.00737.35 N ATOM 24917 C4 G 01216 222.350 25.878 78.269 1.00737.35 C ATOM 24918 P U 01217 225.836 21.503 81.397 1.00737.35 P ATOM 24919 O1P U 01217 226.504 20.176 81.445 1.00737.35 O ATOM 24920 O2P U 01217 225.712 22.304 82.642 1.00737.35 O ATOM 24921 O5* U 01217 226.574 22.396 80.302 1.00737.35 O ATOM 24922 C5* U 01217 226.870 21.872 79.009 1.00737.35 C ATOM 24923 C4* U 01217 227.266 22.987 78.068 1.00737.35 C ATOM 24924 O4* U 01217 226.145 23.897 77.903 1.00737.35 O ATOM 24925 C3* U 01217 228.406 23.879 78.537 1.00737.35 C ATOM 24926 O3* U 01217 229.671 23.298 78.233 1.00737.35 O ATOM 24927 C2* U 01217 228.153 25.160 77.751 1.00737.35 C ATOM 24928 O2* U 01217 228.620 25.095 76.417 1.00737.35 O ATOM 24929 C1* U 01217 226.623 25.226 77.766 1.00737.35 C ATOM 24930 N1 U 01217 226.085 26.037 78.870 1.00737.35 N ATOM 24931 C2 U 01217 225.876 27.391 78.639 1.00737.35 C ATOM 24932 O2 U 01217 226.108 27.930 77.568 1.00737.35 O ATOM 24933 N3 U 01217 225.380 28.091 79.712 1.00737.35 N ATOM 24934 C4 U 01217 225.078 27.595 80.962 1.00737.35 C ATOM 24935 O4 U 01217 224.640 28.357 81.827 1.00737.35 O ATOM 24936 C5 U 01217 225.317 26.193 81.124 1.00737.35 C ATOM 24937 C6 U 01217 225.799 25.480 80.099 1.00737.35 C ATOM 24938 P C 01218 230.976 23.759 79.052 1.00737.35 P ATOM 24939 O1P C 01218 232.030 22.740 78.805 1.00737.35 O ATOM 24940 O2P C 01218 230.581 24.077 80.448 1.00737.35 O ATOM 24941 O5* C 01218 231.418 25.113 78.340 1.00737.35 O ATOM 24942 C5* C 01218 231.963 25.103 77.022 1.00737.35 C ATOM 24943 C4* C 01218 232.144 26.516 76.512 1.00737.35 C ATOM 24944 O4* C 01218 230.847 27.160 76.398 1.00737.35 O ATOM 24945 C3* C 01218 232.945 27.453 77.400 1.00737.35 C ATOM 24946 O3* C 01218 234.346 27.286 77.193 1.00737.35 O ATOM 24947 C2* C 01218 232.461 28.822 76.940 1.00737.35 C ATOM 24948 O2* C 01218 233.084 29.263 75.750 1.00737.35 O ATOM 24949 C1* C 01218 230.978 28.546 76.674 1.00737.35 C ATOM 24950 N1 C 01218 230.101 28.892 77.809 1.00737.35 N ATOM 24951 C2 C 01218 229.595 30.202 77.904 1.00737.35 C ATOM 24952 O2 C 01218 229.898 31.035 77.034 1.00737.35 O ATOM 24953 N3 C 01218 228.788 30.524 78.941 1.00737.35 N ATOM 24954 C4 C 01218 228.482 29.606 79.860 1.00737.35 C ATOM 24955 N4 C 01218 227.680 29.970 80.864 1.00737.35 N ATOM 24956 C5 C 01218 228.982 28.273 79.791 1.00737.35 C ATOM 24957 C6 C 01218 229.777 27.962 78.761 1.00737.35 C ATOM 24958 P C 01219 235.381 27.722 78.345 1.00737.35 P ATOM 24959 O1P C 01219 236.732 27.272 77.918 1.00737.35 O ATOM 24960 O2P C 01219 234.844 27.278 79.658 1.00737.35 O ATOM 24961 O5* C 01219 235.351 29.316 78.308 1.00737.35 O ATOM 24962 C5* C 01219 235.793 30.028 77.153 1.00737.35 C ATOM 24963 C4* C 01219 235.368 31.477 77.234 1.00737.35 C ATOM 24964 O4* C 01219 233.918 31.550 77.271 1.00737.35 O ATOM 24965 C3* C 01219 235.812 32.232 78.477 1.00737.35 C ATOM 24966 O3* C 01219 237.137 32.734 78.329 1.00737.35 O ATOM 24967 C2* C 01219 234.782 33.350 78.559 1.00737.35 C ATOM 24968 O2* C 01219 235.061 34.431 77.688 1.00737.35 O ATOM 24969 C1* C 01219 233.512 32.628 78.101 1.00737.35 C ATOM 24970 N1 C 01219 232.712 32.091 79.222 1.00737.35 N ATOM 24971 C2 C 01219 231.740 32.914 79.819 1.00737.35 C ATOM 24972 O2 C 01219 231.578 34.070 79.390 1.00737.35 O ATOM 24973 N3 C 01219 231.007 32.430 80.847 1.00737.35 N ATOM 24974 C4 C 01219 231.208 31.186 81.285 1.00737.35 C ATOM 24975 N4 C 01219 230.463 30.751 82.303 1.00737.35 N ATOM 24976 C5 C 01219 232.186 30.329 80.697 1.00737.35 C ATOM 24977 C6 C 01219 232.904 30.816 79.680 1.00737.35 C ATOM 24978 P G 01220 237.979 33.156 79.632 1.00737.35 P ATOM 24979 O1P G 01220 239.288 33.679 79.164 1.00737.35 O ATOM 24980 O2P G 01220 237.945 32.030 80.602 1.00737.35 O ATOM 24981 O5* G 01220 237.151 34.372 80.241 1.00737.35 O ATOM 24982 C5* G 01220 237.436 34.884 81.540 1.00737.35 C ATOM 24983 C4* G 01220 236.538 36.058 81.845 1.00737.35 C ATOM 24984 O4* G 01220 235.150 35.652 81.714 1.00737.35 O ATOM 24985 C3* G 01220 236.640 36.608 83.260 1.00737.35 C ATOM 24986 O3* G 01220 237.718 37.536 83.363 1.00737.35 O ATOM 24987 C2* G 01220 235.284 37.279 83.445 1.00737.35 C ATOM 24988 O2* G 01220 235.215 38.564 82.860 1.00737.35 O ATOM 24989 C1* G 01220 234.362 36.317 82.688 1.00737.35 C ATOM 24990 N9 G 01220 233.731 35.309 83.539 1.00737.35 N ATOM 24991 C8 G 01220 234.199 34.045 83.815 1.00737.35 C ATOM 24992 N7 G 01220 233.412 33.369 84.608 1.00737.35 N ATOM 24993 C5 G 01220 232.361 34.237 84.874 1.00737.35 C ATOM 24994 C6 G 01220 231.203 34.059 85.676 1.00737.35 C ATOM 24995 O6 G 01220 230.862 33.067 86.332 1.00737.35 O ATOM 24996 N1 G 01220 230.399 35.195 85.670 1.00737.35 N ATOM 24997 C2 G 01220 230.671 36.352 84.985 1.00737.35 C ATOM 24998 N2 G 01220 229.769 37.337 85.108 1.00737.35 N ATOM 24999 N3 G 01220 231.746 36.531 84.232 1.00737.35 N ATOM 25000 C4 G 01220 232.542 35.440 84.221 1.00737.35 C ATOM 25001 P C 01221 238.423 37.789 84.785 1.00737.35 P ATOM 25002 O1P C 01221 239.657 38.576 84.529 1.00737.35 O ATOM 25003 O2P C 01221 238.519 36.494 85.508 1.00737.35 O ATOM 25004 O5* C 01221 237.392 38.720 85.566 1.00737.35 O ATOM 25005 C5* C 01221 237.103 40.039 85.110 1.00737.35 C ATOM 25006 C4* C 01221 235.870 40.575 85.800 1.00737.35 C ATOM 25007 O4* C 01221 234.732 39.742 85.460 1.00737.35 O ATOM 25008 C3* C 01221 235.906 40.562 87.321 1.00737.35 C ATOM 25009 O3* C 01221 236.560 41.723 87.826 1.00737.35 O ATOM 25010 C2* C 01221 234.425 40.540 87.677 1.00737.35 C ATOM 25011 O2* C 01221 233.817 41.815 87.612 1.00737.35 O ATOM 25012 C1* C 01221 233.861 39.641 86.574 1.00737.35 C ATOM 25013 N1 C 01221 233.757 38.220 86.967 1.00737.35 N ATOM 25014 C2 C 01221 232.547 37.753 87.504 1.00737.35 C ATOM 25015 O2 C 01221 231.593 38.540 87.627 1.00737.35 O ATOM 25016 N3 C 01221 232.450 36.456 87.874 1.00737.35 N ATOM 25017 C4 C 01221 233.493 35.636 87.726 1.00737.35 C ATOM 25018 N4 C 01221 233.348 34.366 88.112 1.00737.35 N ATOM 25019 C5 C 01221 234.729 36.082 87.178 1.00737.35 C ATOM 25020 C6 C 01221 234.817 37.368 86.815 1.00737.35 C ATOM 25021 P G 01222 237.564 41.592 89.075 1.00737.35 P ATOM 25022 O1P G 01222 238.151 42.939 89.309 1.00737.35 O ATOM 25023 O2P G 01222 238.465 40.436 88.835 1.00737.35 O ATOM 25024 O5* G 01222 236.615 41.234 90.302 1.00737.35 O ATOM 25025 C5* G 01222 235.811 42.237 90.926 1.00737.35 C ATOM 25026 C4* G 01222 234.930 41.620 91.988 1.00737.35 C ATOM 25027 O4* G 01222 234.005 40.690 91.365 1.00737.35 O ATOM 25028 C3* G 01222 235.638 40.783 93.040 1.00737.35 C ATOM 25029 O3* G 01222 236.167 41.582 94.093 1.00737.35 O ATOM 25030 C2* G 01222 234.517 39.881 93.538 1.00737.35 C ATOM 25031 O2* G 01222 233.659 40.521 94.465 1.00737.35 O ATOM 25032 C1* G 01222 233.761 39.599 92.239 1.00737.35 C ATOM 25033 N9 G 01222 234.204 38.368 91.587 1.00737.35 N ATOM 25034 C8 G 01222 234.991 38.252 90.466 1.00737.35 C ATOM 25035 N7 G 01222 235.227 37.014 90.130 1.00737.35 N ATOM 25036 C5 G 01222 234.554 36.264 91.084 1.00737.35 C ATOM 25037 C6 G 01222 234.446 34.857 91.242 1.00737.35 C ATOM 25038 O6 G 01222 234.940 33.963 90.546 1.00737.35 O ATOM 25039 N1 G 01222 233.668 34.525 92.346 1.00737.35 N ATOM 25040 C2 G 01222 233.070 35.426 93.193 1.00737.35 C ATOM 25041 N2 G 01222 232.355 34.907 94.202 1.00737.35 N ATOM 25042 N3 G 01222 233.163 36.738 93.057 1.00737.35 N ATOM 25043 C4 G 01222 233.914 37.084 91.991 1.00737.35 C ATOM 25044 P G 01223 237.488 41.098 94.875 1.00737.35 P ATOM 25045 O1P G 01223 238.658 41.670 94.159 1.00737.35 O ATOM 25046 O2P G 01223 237.403 39.631 95.088 1.00737.35 O ATOM 25047 O5* G 01223 237.375 41.808 96.297 1.00737.35 O ATOM 25048 C5* G 01223 237.511 43.219 96.425 1.00737.35 C ATOM 25049 C4* G 01223 236.920 43.687 97.734 1.00737.35 C ATOM 25050 O4* G 01223 235.493 43.422 97.739 1.00737.35 O ATOM 25051 C3* G 01223 237.444 43.005 98.986 1.00737.35 C ATOM 25052 O3* G 01223 238.749 43.465 99.387 1.00737.35 O ATOM 25053 C2* G 01223 236.284 43.140 99.971 1.00737.35 C ATOM 25054 O2* G 01223 236.195 44.372 100.651 1.00737.35 O ATOM 25055 C1* G 01223 235.080 43.011 99.036 1.00737.35 C ATOM 25056 N9 G 01223 234.522 41.664 98.938 1.00737.35 N ATOM 25057 C8 G 01223 234.930 40.656 98.096 1.00737.35 C ATOM 25058 N7 G 01223 234.228 39.564 98.225 1.00737.35 N ATOM 25059 C5 G 01223 233.301 39.865 99.213 1.00737.35 C ATOM 25060 C6 G 01223 232.269 39.071 99.778 1.00737.35 C ATOM 25061 O6 G 01223 231.955 37.906 99.503 1.00737.35 O ATOM 25062 N1 G 01223 231.565 39.766 100.755 1.00737.35 N ATOM 25063 C2 G 01223 231.819 41.059 101.140 1.00737.35 C ATOM 25064 N2 G 01223 231.027 41.552 102.103 1.00737.35 N ATOM 25065 N3 G 01223 232.775 41.812 100.620 1.00737.35 N ATOM 25066 C4 G 01223 233.473 41.155 99.669 1.00737.35 C ATOM 25067 P A 01224 239.021 45.023 99.720 1.00737.35 P ATOM 25068 O1P A 01224 240.494 45.145 99.855 1.00737.35 O ATOM 25069 O2P A 01224 238.153 45.493 100.827 1.00737.35 O ATOM 25070 O5* A 01224 238.625 45.783 98.372 1.00737.35 O ATOM 25071 C5* A 01224 237.811 46.953 98.387 1.00737.35 C ATOM 25072 C4* A 01224 238.128 47.828 97.195 1.00737.35 C ATOM 25073 O4* A 01224 239.506 48.277 97.290 1.00737.35 O ATOM 25074 C3* A 01224 238.040 47.163 95.828 1.00737.35 C ATOM 25075 O3* A 01224 236.705 47.158 95.328 1.00737.35 O ATOM 25076 C2* A 01224 238.967 48.032 94.986 1.00737.35 C ATOM 25077 O2* A 01224 238.358 49.229 94.544 1.00737.35 O ATOM 25078 C1* A 01224 240.076 48.352 95.992 1.00737.35 C ATOM 25079 N9 A 01224 241.203 47.420 95.928 1.00737.35 N ATOM 25080 C8 A 01224 241.260 46.129 96.398 1.00737.35 C ATOM 25081 N7 A 01224 242.412 45.540 96.188 1.00737.35 N ATOM 25082 C5 A 01224 243.166 46.506 95.536 1.00737.35 C ATOM 25083 C6 A 01224 244.481 46.503 95.042 1.00737.35 C ATOM 25084 N6 A 01224 245.305 45.455 95.129 1.00737.35 N ATOM 25085 N1 A 01224 244.933 47.628 94.447 1.00737.35 N ATOM 25086 C2 A 01224 244.106 48.680 94.358 1.00737.35 C ATOM 25087 N3 A 01224 242.851 48.806 94.784 1.00737.35 N ATOM 25088 C4 A 01224 242.435 47.669 95.372 1.00737.35 C ATOM 25089 P G 01225 236.330 46.257 94.045 1.00737.35 P ATOM 25090 O1P G 01225 237.210 45.058 94.054 1.00737.35 O ATOM 25091 O2P G 01225 236.315 47.143 92.853 1.00737.35 O ATOM 25092 O5* G 01225 234.836 45.784 94.327 1.00737.35 O ATOM 25093 C5* G 01225 234.331 44.568 93.769 1.00737.35 C ATOM 25094 C4* G 01225 233.172 44.058 94.591 1.00737.35 C ATOM 25095 O4* G 01225 233.613 43.896 95.964 1.00737.35 O ATOM 25096 C3* G 01225 231.969 44.990 94.679 1.00737.35 C ATOM 25097 O3* G 01225 231.080 44.751 93.591 1.00737.35 O ATOM 25098 C2* G 01225 231.343 44.590 96.009 1.00737.35 C ATOM 25099 O2* G 01225 230.532 43.434 95.918 1.00737.35 O ATOM 25100 C1* G 01225 232.582 44.284 96.855 1.00737.35 C ATOM 25101 N9 G 01225 233.060 45.416 97.642 1.00737.35 N ATOM 25102 C8 G 01225 233.698 46.543 97.176 1.00737.35 C ATOM 25103 N7 G 01225 234.015 47.383 98.123 1.00737.35 N ATOM 25104 C5 G 01225 233.559 46.776 99.286 1.00737.35 C ATOM 25105 C6 G 01225 233.622 47.215 100.635 1.00737.35 C ATOM 25106 O6 G 01225 234.108 48.259 101.085 1.00737.35 O ATOM 25107 N1 G 01225 233.041 46.292 101.498 1.00737.35 N ATOM 25108 C2 G 01225 232.474 45.102 101.117 1.00737.35 C ATOM 25109 N2 G 01225 231.963 44.349 102.102 1.00737.35 N ATOM 25110 N3 G 01225 232.408 44.681 99.864 1.00737.35 N ATOM 25111 C4 G 01225 232.966 45.562 99.008 1.00737.35 C ATOM 25112 P A 01226 230.332 45.983 92.882 1.00737.35 P ATOM 25113 O1P A 01226 231.328 46.666 92.016 1.00737.35 O ATOM 25114 O2P A 01226 229.606 46.760 93.916 1.00737.35 O ATOM 25115 O5* A 01226 229.254 45.277 91.941 1.00737.35 O ATOM 25116 C5* A 01226 229.660 44.503 90.812 1.00737.35 C ATOM 25117 C4* A 01226 228.698 43.358 90.581 1.00737.35 C ATOM 25118 O4* A 01226 228.713 42.477 91.736 1.00737.35 O ATOM 25119 C3* A 01226 227.231 43.732 90.420 1.00737.35 C ATOM 25120 O3* A 01226 226.939 44.117 89.081 1.00737.35 O ATOM 25121 C2* A 01226 226.529 42.434 90.797 1.00737.35 C ATOM 25122 O2* A 01226 226.506 41.487 89.746 1.00737.35 O ATOM 25123 C1* A 01226 227.421 41.926 91.932 1.00737.35 C ATOM 25124 N9 A 01226 226.939 42.321 93.259 1.00737.35 N ATOM 25125 C8 A 01226 227.432 43.305 94.082 1.00737.35 C ATOM 25126 N7 A 01226 226.776 43.426 95.211 1.00737.35 N ATOM 25127 C5 A 01226 225.784 42.458 95.127 1.00737.35 C ATOM 25128 C6 A 01226 224.756 42.081 96.007 1.00737.35 C ATOM 25129 N6 A 01226 224.546 42.657 97.193 1.00737.35 N ATOM 25130 N1 A 01226 223.936 41.077 95.621 1.00737.35 N ATOM 25131 C2 A 01226 224.145 40.501 94.431 1.00737.35 C ATOM 25132 N3 A 01226 225.076 40.769 93.516 1.00737.35 N ATOM 25133 C4 A 01226 225.873 41.769 93.931 1.00737.35 C ATOM 25134 P A 01227 225.703 45.104 88.787 1.00737.35 P ATOM 25135 O1P A 01227 225.600 45.257 87.312 1.00737.35 O ATOM 25136 O2P A 01227 225.854 46.313 89.639 1.00737.35 O ATOM 25137 O5* A 01227 224.427 44.293 89.295 1.00737.35 O ATOM 25138 C5* A 01227 224.031 43.078 88.663 1.00737.35 C ATOM 25139 C4* A 01227 222.885 42.441 89.417 1.00737.35 C ATOM 25140 O4* A 01227 223.322 42.100 90.758 1.00737.35 O ATOM 25141 C3* A 01227 221.666 43.322 89.633 1.00737.35 C ATOM 25142 O3* A 01227 220.803 43.290 88.501 1.00737.35 O ATOM 25143 C2* A 01227 221.016 42.679 90.855 1.00737.35 C ATOM 25144 O2* A 01227 220.244 41.538 90.538 1.00737.35 O ATOM 25145 C1* A 01227 222.244 42.265 91.669 1.00737.35 C ATOM 25146 N9 A 01227 222.631 43.251 92.680 1.00737.35 N ATOM 25147 C8 A 01227 223.579 44.241 92.582 1.00737.35 C ATOM 25148 N7 A 01227 223.695 44.972 93.663 1.00737.35 N ATOM 25149 C5 A 01227 222.761 44.428 94.533 1.00737.35 C ATOM 25150 C6 A 01227 222.391 44.757 95.851 1.00737.35 C ATOM 25151 N6 A 01227 222.941 45.752 96.548 1.00737.35 N ATOM 25152 N1 A 01227 221.426 44.015 96.434 1.00737.35 N ATOM 25153 C2 A 01227 220.874 43.015 95.735 1.00737.35 C ATOM 25154 N3 A 01227 221.133 42.612 94.495 1.00737.35 N ATOM 25155 C4 A 01227 222.100 43.368 93.942 1.00737.35 C ATOM 25156 P G 01228 220.115 44.648 87.984 1.00737.35 P ATOM 25157 O1P G 01228 219.112 44.273 86.955 1.00737.35 O ATOM 25158 O2P G 01228 221.189 45.614 87.641 1.00737.35 O ATOM 25159 O5* G 01228 219.338 45.200 89.261 1.00737.35 O ATOM 25160 C5* G 01228 218.206 44.513 89.788 1.00737.35 C ATOM 25161 C4* G 01228 217.797 45.111 91.115 1.00737.35 C ATOM 25162 O4* G 01228 218.860 44.907 92.084 1.00737.35 O ATOM 25163 C3* G 01228 217.573 46.615 91.117 1.00737.35 C ATOM 25164 O3* G 01228 216.259 46.945 90.679 1.00737.35 O ATOM 25165 C2* G 01228 217.794 46.972 92.583 1.00737.35 C ATOM 25166 O2* G 01228 216.671 46.701 93.398 1.00737.35 O ATOM 25167 C1* G 01228 218.942 46.029 92.950 1.00737.35 C ATOM 25168 N9 G 01228 220.259 46.641 92.795 1.00737.35 N ATOM 25169 C8 G 01228 221.080 46.579 91.693 1.00737.35 C ATOM 25170 N7 G 01228 222.197 47.237 91.847 1.00737.35 N ATOM 25171 C5 G 01228 222.113 47.762 93.129 1.00737.35 C ATOM 25172 C6 G 01228 223.026 48.569 93.853 1.00737.35 C ATOM 25173 O6 G 01228 224.131 48.995 93.493 1.00737.35 O ATOM 25174 N1 G 01228 222.544 48.880 95.120 1.00737.35 N ATOM 25175 C2 G 01228 221.336 48.468 95.628 1.00737.35 C ATOM 25176 N2 G 01228 221.050 48.873 96.873 1.00737.35 N ATOM 25177 N3 G 01228 220.474 47.717 94.963 1.00737.35 N ATOM 25178 C4 G 01228 220.922 47.404 93.728 1.00737.35 C ATOM 25179 P C 01229 215.999 48.341 89.923 1.00737.35 P ATOM 25180 O1P C 01229 214.551 48.399 89.593 1.00737.35 O ATOM 25181 O2P C 01229 217.004 48.484 88.840 1.00737.35 O ATOM 25182 O5* C 01229 216.304 49.440 91.035 1.00737.35 O ATOM 25183 C5* C 01229 215.435 49.612 92.153 1.00737.35 C ATOM 25184 C4* C 01229 215.946 50.709 93.058 1.00737.35 C ATOM 25185 O4* C 01229 217.211 50.311 93.645 1.00737.35 O ATOM 25186 C3* C 01229 216.257 52.038 92.390 1.00737.35 C ATOM 25187 O3* C 01229 215.081 52.819 92.211 1.00737.35 O ATOM 25188 C2* C 01229 217.223 52.677 93.383 1.00737.35 C ATOM 25189 O2* C 01229 216.572 53.284 94.482 1.00737.35 O ATOM 25190 C1* C 01229 218.020 51.458 93.861 1.00737.35 C ATOM 25191 N1 C 01229 219.305 51.283 93.153 1.00737.35 N ATOM 25192 C2 C 01229 220.453 51.902 93.676 1.00737.35 C ATOM 25193 O2 C 01229 220.361 52.569 94.720 1.00737.35 O ATOM 25194 N3 C 01229 221.632 51.754 93.029 1.00737.35 N ATOM 25195 C4 C 01229 221.697 51.031 91.912 1.00737.35 C ATOM 25196 N4 C 01229 222.884 50.920 91.307 1.00737.35 N ATOM 25197 C5 C 01229 220.549 50.390 91.359 1.00737.35 C ATOM 25198 C6 C 01229 219.385 50.541 92.005 1.00737.35 C ATOM 25199 P C 01230 215.006 53.886 91.010 1.00737.35 P ATOM 25200 O1P C 01230 213.619 54.413 90.971 1.00737.35 O ATOM 25201 O2P C 01230 215.587 53.266 89.793 1.00737.35 O ATOM 25202 O5* C 01230 215.978 55.058 91.479 1.00737.35 O ATOM 25203 C5* C 01230 215.596 55.954 92.522 1.00737.35 C ATOM 25204 C4* C 01230 216.663 57.004 92.732 1.00737.35 C ATOM 25205 O4* C 01230 217.871 56.380 93.234 1.00737.35 O ATOM 25206 C3* C 01230 217.116 57.749 91.486 1.00737.35 C ATOM 25207 O3* C 01230 216.231 58.821 91.176 1.00737.35 O ATOM 25208 C2* C 01230 218.499 58.243 91.893 1.00737.35 C ATOM 25209 O2* C 01230 218.461 59.417 92.680 1.00737.35 O ATOM 25210 C1* C 01230 219.008 57.070 92.735 1.00737.35 C ATOM 25211 N1 C 01230 219.847 56.118 91.977 1.00737.35 N ATOM 25212 C2 C 01230 221.230 56.362 91.884 1.00737.35 C ATOM 25213 O2 C 01230 221.708 57.365 92.439 1.00737.35 O ATOM 25214 N3 C 01230 222.004 55.496 91.190 1.00737.35 N ATOM 25215 C4 C 01230 221.458 54.428 90.604 1.00737.35 C ATOM 25216 N4 C 01230 222.263 53.605 89.929 1.00737.35 N ATOM 25217 C5 C 01230 220.061 54.158 90.685 1.00737.35 C ATOM 25218 C6 C 01230 219.301 55.019 91.375 1.00737.35 C ATOM 25219 P A 01231 216.032 59.270 89.643 1.00737.35 P ATOM 25220 O1P A 01231 214.942 60.277 89.618 1.00737.35 O ATOM 25221 O2P A 01231 215.921 58.051 88.802 1.00737.35 O ATOM 25222 O5* A 01231 217.400 60.003 89.278 1.00737.35 O ATOM 25223 C5* A 01231 217.719 61.277 89.834 1.00737.35 C ATOM 25224 C4* A 01231 219.074 61.740 89.349 1.00737.35 C ATOM 25225 O4* A 01231 220.101 60.849 89.854 1.00737.35 O ATOM 25226 C3* A 01231 219.281 61.732 87.842 1.00737.35 C ATOM 25227 O3* A 01231 218.757 62.912 87.242 1.00737.35 O ATOM 25228 C2* A 01231 220.800 61.670 87.730 1.00737.35 C ATOM 25229 O2* A 01231 221.423 62.929 87.888 1.00737.35 O ATOM 25230 C1* A 01231 221.158 60.762 88.911 1.00737.35 C ATOM 25231 N9 A 01231 221.341 59.357 88.536 1.00737.35 N ATOM 25232 C8 A 01231 220.425 58.333 88.595 1.00737.35 C ATOM 25233 N7 A 01231 220.899 57.179 88.184 1.00737.35 N ATOM 25234 C5 A 01231 222.211 57.462 87.832 1.00737.35 C ATOM 25235 C6 A 01231 223.248 56.660 87.319 1.00737.35 C ATOM 25236 N6 A 01231 223.120 55.356 87.063 1.00737.35 N ATOM 25237 N1 A 01231 224.435 57.254 87.074 1.00737.35 N ATOM 25238 C2 A 01231 224.564 58.561 87.329 1.00737.35 C ATOM 25239 N3 A 01231 223.665 59.418 87.810 1.00737.35 N ATOM 25240 C4 A 01231 222.497 58.800 88.042 1.00737.35 C ATOM 25241 P U 01232 218.105 62.838 85.774 1.00737.35 P ATOM 25242 O1P U 01232 217.763 64.226 85.370 1.00737.35 O ATOM 25243 O2P U 01232 217.045 61.795 85.783 1.00737.35 O ATOM 25244 O5* U 01232 219.295 62.328 84.844 1.00737.35 O ATOM 25245 C5* U 01232 220.468 63.116 84.656 1.00737.35 C ATOM 25246 C4* U 01232 221.560 62.288 84.015 1.00737.35 C ATOM 25247 O4* U 01232 221.901 61.185 84.895 1.00737.35 O ATOM 25248 C3* U 01232 221.196 61.619 82.699 1.00737.35 C ATOM 25249 O3* U 01232 221.387 62.512 81.606 1.00737.35 O ATOM 25250 C2* U 01232 222.174 60.449 82.651 1.00737.35 C ATOM 25251 O2* U 01232 223.463 60.819 82.207 1.00737.35 O ATOM 25252 C1* U 01232 222.227 60.038 84.124 1.00737.35 C ATOM 25253 N1 U 01232 221.291 58.955 84.467 1.00737.35 N ATOM 25254 C2 U 01232 221.737 57.648 84.330 1.00737.35 C ATOM 25255 O2 U 01232 222.860 57.361 83.943 1.00737.35 O ATOM 25256 N3 U 01232 220.816 56.685 84.661 1.00737.35 N ATOM 25257 C4 U 01232 219.526 56.884 85.106 1.00737.35 C ATOM 25258 O4 U 01232 218.818 55.909 85.363 1.00737.35 O ATOM 25259 C5 U 01232 219.142 58.257 85.225 1.00737.35 C ATOM 25260 C6 U 01232 220.012 59.218 84.910 1.00737.35 C ATOM 25261 P A 01233 220.530 62.319 80.259 1.00737.35 P ATOM 25262 O1P A 01233 219.099 62.501 80.606 1.00737.35 O ATOM 25263 O2P A 01233 220.973 61.059 79.605 1.00737.35 O ATOM 25264 O5* A 01233 220.980 63.544 79.343 1.00737.35 O ATOM 25265 C5* A 01233 220.591 63.618 77.974 1.00737.35 C ATOM 25266 C4* A 01233 221.369 64.707 77.272 1.00737.35 C ATOM 25267 O4* A 01233 221.043 65.991 77.871 1.00737.35 O ATOM 25268 C3* A 01233 222.882 64.609 77.394 1.00737.35 C ATOM 25269 O3* A 01233 223.425 63.745 76.403 1.00737.35 O ATOM 25270 C2* A 01233 223.321 66.054 77.196 1.00737.35 C ATOM 25271 O2* A 01233 223.367 66.441 75.836 1.00737.35 O ATOM 25272 C1* A 01233 222.200 66.810 77.913 1.00737.35 C ATOM 25273 N9 A 01233 222.503 67.117 79.314 1.00737.35 N ATOM 25274 C8 A 01233 221.944 66.564 80.444 1.00737.35 C ATOM 25275 N7 A 01233 222.424 67.052 81.562 1.00737.35 N ATOM 25276 C5 A 01233 223.359 67.987 81.146 1.00737.35 C ATOM 25277 C6 A 01233 224.215 68.848 81.855 1.00737.35 C ATOM 25278 N6 A 01233 224.265 68.911 83.188 1.00737.35 N ATOM 25279 N1 A 01233 225.027 69.655 81.139 1.00737.35 N ATOM 25280 C2 A 01233 224.975 69.592 79.803 1.00737.35 C ATOM 25281 N3 A 01233 224.216 68.827 79.024 1.00737.35 N ATOM 25282 C4 A 01233 223.420 68.039 79.764 1.00737.35 C ATOM 25283 P C 01234 224.807 62.970 76.691 1.00737.35 P ATOM 25284 O1P C 01234 224.538 61.976 77.763 1.00737.35 O ATOM 25285 O2P C 01234 225.874 63.986 76.883 1.00737.35 O ATOM 25286 O5* C 01234 225.092 62.171 75.342 1.00737.35 O ATOM 25287 C5* C 01234 226.420 62.039 74.834 1.00737.35 C ATOM 25288 C4* C 01234 226.672 60.622 74.375 1.00737.35 C ATOM 25289 O4* C 01234 226.541 59.724 75.506 1.00737.35 O ATOM 25290 C3* C 01234 225.706 60.069 73.340 1.00737.35 C ATOM 25291 O3* C 01234 226.096 60.457 72.023 1.00737.35 O ATOM 25292 C2* C 01234 225.835 58.563 73.553 1.00737.35 C ATOM 25293 O2* C 01234 226.975 58.007 72.928 1.00737.35 O ATOM 25294 C1* C 01234 225.995 58.486 75.074 1.00737.35 C ATOM 25295 N1 C 01234 224.727 58.250 75.794 1.00737.35 N ATOM 25296 C2 C 01234 224.301 56.928 76.004 1.00737.35 C ATOM 25297 O2 C 01234 224.997 55.991 75.578 1.00737.35 O ATOM 25298 N3 C 01234 223.139 56.705 76.662 1.00737.35 N ATOM 25299 C4 C 01234 222.415 57.733 77.105 1.00737.35 C ATOM 25300 N4 C 01234 221.276 57.464 77.748 1.00737.35 N ATOM 25301 C5 C 01234 222.822 59.084 76.907 1.00737.35 C ATOM 25302 C6 C 01234 223.972 59.296 76.254 1.00737.35 C ATOM 25303 P C 01235 225.023 60.412 70.824 1.00737.35 P ATOM 25304 O1P C 01235 225.630 61.113 69.665 1.00737.35 O ATOM 25305 O2P C 01235 223.707 60.862 71.346 1.00737.35 O ATOM 25306 O5* C 01235 224.912 58.862 70.465 1.00737.35 O ATOM 25307 C5* C 01235 226.049 58.136 69.994 1.00737.35 C ATOM 25308 C4* C 01235 225.748 56.654 69.961 1.00737.35 C ATOM 25309 O4* C 01235 225.431 56.201 71.305 1.00737.35 O ATOM 25310 C3* C 01235 224.544 56.239 69.128 1.00737.35 C ATOM 25311 O3* C 01235 224.902 56.082 67.759 1.00737.35 O ATOM 25312 C2* C 01235 224.150 54.914 69.769 1.00737.35 C ATOM 25313 O2* C 01235 224.944 53.827 69.331 1.00737.35 O ATOM 25314 C1* C 01235 224.428 55.196 71.246 1.00737.35 C ATOM 25315 N1 C 01235 223.240 55.667 71.990 1.00737.35 N ATOM 25316 C2 C 01235 222.359 54.718 72.532 1.00737.35 C ATOM 25317 O2 C 01235 222.598 53.508 72.375 1.00737.35 O ATOM 25318 N3 C 01235 221.269 55.144 73.211 1.00737.35 N ATOM 25319 C4 C 01235 221.041 56.451 73.359 1.00737.35 C ATOM 25320 N4 C 01235 219.952 56.823 74.037 1.00737.35 N ATOM 25321 C5 C 01235 221.918 57.435 72.819 1.00737.35 C ATOM 25322 C6 C 01235 222.994 57.005 72.149 1.00737.35 C ATOM 25323 P G 01236 223.770 56.193 66.620 1.00737.35 P ATOM 25324 O1P G 01236 224.458 56.107 65.306 1.00737.35 O ATOM 25325 O2P G 01236 222.911 57.368 66.921 1.00737.35 O ATOM 25326 O5* G 01236 222.897 54.875 66.817 1.00737.35 O ATOM 25327 C5* G 01236 223.418 53.590 66.470 1.00737.35 C ATOM 25328 C4* G 01236 222.380 52.519 66.717 1.00737.35 C ATOM 25329 O4* G 01236 222.102 52.434 68.140 1.00737.35 O ATOM 25330 C3* G 01236 221.021 52.757 66.080 1.00737.35 C ATOM 25331 O3* G 01236 221.007 52.316 64.725 1.00737.35 O ATOM 25332 C2* G 01236 220.099 51.921 66.960 1.00737.35 C ATOM 25333 O2* G 01236 220.106 50.547 66.625 1.00737.35 O ATOM 25334 C1* G 01236 220.733 52.119 68.341 1.00737.35 C ATOM 25335 N9 G 01236 220.120 53.195 69.115 1.00737.35 N ATOM 25336 C8 G 01236 220.477 54.523 69.125 1.00737.35 C ATOM 25337 N7 G 01236 219.739 55.248 69.919 1.00737.35 N ATOM 25338 C5 G 01236 218.838 54.347 70.469 1.00737.35 C ATOM 25339 C6 G 01236 217.789 54.552 71.402 1.00737.35 C ATOM 25340 O6 G 01236 217.435 55.604 71.950 1.00737.35 O ATOM 25341 N1 G 01236 217.119 53.366 71.687 1.00737.35 N ATOM 25342 C2 G 01236 217.417 52.141 71.144 1.00737.35 C ATOM 25343 N2 G 01236 216.655 51.114 71.545 1.00737.35 N ATOM 25344 N3 G 01236 218.394 51.936 70.274 1.00737.35 N ATOM 25345 C4 G 01236 219.058 53.075 69.985 1.00737.35 C ATOM 25346 P G 01237 220.387 53.262 63.584 1.00737.35 P ATOM 25347 O1P G 01237 220.463 52.516 62.303 1.00737.35 O ATOM 25348 O2P G 01237 221.021 54.602 63.691 1.00737.35 O ATOM 25349 O5* G 01237 218.850 53.395 63.985 1.00737.35 O ATOM 25350 C5* G 01237 218.077 54.526 63.582 1.00737.35 C ATOM 25351 C4* G 01237 216.601 54.211 63.660 1.00737.35 C ATOM 25352 O4* G 01237 216.277 53.182 62.689 1.00737.35 O ATOM 25353 C3* G 01237 216.111 53.650 64.986 1.00737.35 C ATOM 25354 O3* G 01237 215.842 54.696 65.915 1.00737.35 O ATOM 25355 C2* G 01237 214.849 52.902 64.574 1.00737.35 C ATOM 25356 O2* G 01237 213.725 53.749 64.423 1.00737.35 O ATOM 25357 C1* G 01237 215.261 52.340 63.209 1.00737.35 C ATOM 25358 N9 G 01237 215.779 50.976 63.267 1.00737.35 N ATOM 25359 C8 G 01237 217.004 50.570 63.746 1.00737.35 C ATOM 25360 N7 G 01237 217.186 49.281 63.665 1.00737.35 N ATOM 25361 C5 G 01237 216.011 48.802 63.098 1.00737.35 C ATOM 25362 C6 G 01237 215.624 47.478 62.766 1.00737.35 C ATOM 25363 O6 G 01237 216.263 46.428 62.912 1.00737.35 O ATOM 25364 N1 G 01237 214.351 47.442 62.211 1.00737.35 N ATOM 25365 C2 G 01237 213.548 48.537 62.001 1.00737.35 C ATOM 25366 N2 G 01237 212.348 48.296 61.453 1.00737.35 N ATOM 25367 N3 G 01237 213.896 49.777 62.307 1.00737.35 N ATOM 25368 C4 G 01237 215.132 49.835 62.848 1.00737.35 C ATOM 25369 P A 01238 216.038 54.435 67.491 1.00737.35 P ATOM 25370 O1P A 01238 216.154 55.763 68.147 1.00737.35 O ATOM 25371 O2P A 01238 217.119 53.431 67.676 1.00737.35 O ATOM 25372 O5* A 01238 214.664 53.772 67.947 1.00737.35 O ATOM 25373 C5* A 01238 213.459 54.533 67.993 1.00737.35 C ATOM 25374 C4* A 01238 212.272 53.626 68.216 1.00737.35 C ATOM 25375 O4* A 01238 212.156 52.711 67.094 1.00737.35 O ATOM 25376 C3* A 01238 212.349 52.724 69.436 1.00737.35 C ATOM 25377 O3* A 01238 211.896 53.406 70.604 1.00737.35 O ATOM 25378 C2* A 01238 211.421 51.577 69.050 1.00737.35 C ATOM 25379 O2* A 01238 210.053 51.878 69.252 1.00737.35 O ATOM 25380 C1* A 01238 211.708 51.446 67.553 1.00737.35 C ATOM 25381 N9 A 01238 212.736 50.453 67.236 1.00737.35 N ATOM 25382 C8 A 01238 214.092 50.542 67.447 1.00737.35 C ATOM 25383 N7 A 01238 214.761 49.484 67.057 1.00737.35 N ATOM 25384 C5 A 01238 213.779 48.639 66.554 1.00737.35 C ATOM 25385 C6 A 01238 213.839 47.356 65.986 1.00737.35 C ATOM 25386 N6 A 01238 214.972 46.669 65.819 1.00737.35 N ATOM 25387 N1 A 01238 212.677 46.792 65.584 1.00737.35 N ATOM 25388 C2 A 01238 211.542 47.478 65.750 1.00737.35 C ATOM 25389 N3 A 01238 211.357 48.690 66.270 1.00737.35 N ATOM 25390 C4 A 01238 212.529 49.222 66.658 1.00737.35 C ATOM 25391 P A 01239 212.497 53.013 72.043 1.00737.35 P ATOM 25392 O1P A 01239 211.881 53.923 73.042 1.00737.35 O ATOM 25393 O2P A 01239 213.978 52.944 71.932 1.00737.35 O ATOM 25394 O5* A 01239 211.948 51.540 72.303 1.00737.35 O ATOM 25395 C5* A 01239 210.551 51.293 72.463 1.00737.35 C ATOM 25396 C4* A 01239 210.282 49.806 72.477 1.00737.35 C ATOM 25397 O4* A 01239 210.688 49.239 71.205 1.00737.35 O ATOM 25398 C3* A 01239 211.056 49.006 73.514 1.00737.35 C ATOM 25399 O3* A 01239 210.385 49.012 74.770 1.00737.35 O ATOM 25400 C2* A 01239 211.079 47.612 72.896 1.00737.35 C ATOM 25401 O2* A 01239 209.886 46.887 73.114 1.00737.35 O ATOM 25402 C1* A 01239 211.221 47.939 71.408 1.00737.35 C ATOM 25403 N9 A 01239 212.606 47.931 70.931 1.00737.35 N ATOM 25404 C8 A 01239 213.598 48.842 71.199 1.00737.35 C ATOM 25405 N7 A 01239 214.744 48.558 70.626 1.00737.35 N ATOM 25406 C5 A 01239 214.489 47.382 69.936 1.00737.35 C ATOM 25407 C6 A 01239 215.298 46.567 69.125 1.00737.35 C ATOM 25408 N6 A 01239 216.583 46.824 68.865 1.00737.35 N ATOM 25409 N1 A 01239 214.736 45.465 68.585 1.00737.35 N ATOM 25410 C2 A 01239 213.450 45.206 68.850 1.00737.35 C ATOM 25411 N3 A 01239 212.588 45.892 69.594 1.00737.35 N ATOM 25412 C4 A 01239 213.176 46.983 70.115 1.00737.35 C ATOM 25413 P G 01240 211.213 49.303 76.117 1.00737.35 P ATOM 25414 O1P G 01240 210.334 48.955 77.261 1.00737.35 O ATOM 25415 O2P G 01240 211.788 50.669 76.025 1.00737.35 O ATOM 25416 O5* G 01240 212.410 48.249 76.074 1.00737.35 O ATOM 25417 C5* G 01240 213.482 48.318 77.010 1.00737.35 C ATOM 25418 C4* G 01240 214.780 47.930 76.344 1.00737.35 C ATOM 25419 O4* G 01240 214.986 48.774 75.179 1.00737.35 O ATOM 25420 C3* G 01240 216.032 48.129 77.183 1.00737.35 C ATOM 25421 O3* G 01240 216.270 47.006 78.028 1.00737.35 O ATOM 25422 C2* G 01240 217.111 48.287 76.118 1.00737.35 C ATOM 25423 O2* G 01240 217.538 47.055 75.573 1.00737.35 O ATOM 25424 C1* G 01240 216.362 49.092 75.053 1.00737.35 C ATOM 25425 N9 G 01240 216.518 50.537 75.206 1.00737.35 N ATOM 25426 C8 G 01240 215.641 51.408 75.809 1.00737.35 C ATOM 25427 N7 G 01240 216.055 52.645 75.797 1.00737.35 N ATOM 25428 C5 G 01240 217.281 52.590 75.147 1.00737.35 C ATOM 25429 C6 G 01240 218.204 53.622 74.838 1.00737.35 C ATOM 25430 O6 G 01240 218.117 54.832 75.082 1.00737.35 O ATOM 25431 N1 G 01240 219.319 53.127 74.172 1.00737.35 N ATOM 25432 C2 G 01240 219.524 51.812 73.845 1.00737.35 C ATOM 25433 N2 G 01240 220.669 51.533 73.201 1.00737.35 N ATOM 25434 N3 G 01240 218.675 50.837 74.127 1.00737.35 N ATOM 25435 C4 G 01240 217.581 51.296 74.775 1.00737.35 C ATOM 25436 P G 01241 217.166 47.177 79.353 1.00737.35 P ATOM 25437 O1P G 01241 217.108 45.889 80.092 1.00737.35 O ATOM 25438 O2P G 01241 216.763 48.432 80.039 1.00737.35 O ATOM 25439 O5* G 01241 218.649 47.366 78.798 1.00737.35 O ATOM 25440 C5* G 01241 219.261 46.359 77.996 1.00737.35 C ATOM 25441 C4* G 01241 220.532 46.883 77.366 1.00737.35 C ATOM 25442 O4* G 01241 220.219 48.035 76.538 1.00737.35 O ATOM 25443 C3* G 01241 221.595 47.397 78.325 1.00737.35 C ATOM 25444 O3* G 01241 222.391 46.322 78.819 1.00737.35 O ATOM 25445 C2* G 01241 222.400 48.338 77.437 1.00737.35 C ATOM 25446 O2* G 01241 223.332 47.667 76.613 1.00737.35 O ATOM 25447 C1* G 01241 221.299 48.954 76.569 1.00737.35 C ATOM 25448 N9 G 01241 220.810 50.237 77.073 1.00737.35 N ATOM 25449 C8 G 01241 219.742 50.451 77.915 1.00737.35 C ATOM 25450 N7 G 01241 219.553 51.712 78.190 1.00737.35 N ATOM 25451 C5 G 01241 220.553 52.372 77.489 1.00737.35 C ATOM 25452 C6 G 01241 220.853 53.757 77.400 1.00737.35 C ATOM 25453 O6 G 01241 220.276 54.709 77.940 1.00737.35 O ATOM 25454 N1 G 01241 221.953 53.990 76.579 1.00737.35 N ATOM 25455 C2 G 01241 222.672 53.020 75.927 1.00737.35 C ATOM 25456 N2 G 01241 223.701 53.445 75.182 1.00737.35 N ATOM 25457 N3 G 01241 222.403 51.726 76.003 1.00737.35 N ATOM 25458 C4 G 01241 221.339 51.476 76.794 1.00737.35 C ATOM 25459 P A 01242 223.235 46.510 80.176 1.00737.35 P ATOM 25460 O1P A 01242 223.811 45.185 80.521 1.00737.35 O ATOM 25461 O2P A 01242 222.388 47.221 81.166 1.00737.35 O ATOM 25462 O5* A 01242 224.432 47.476 79.756 1.00737.35 O ATOM 25463 C5* A 01242 225.408 47.063 78.804 1.00737.35 C ATOM 25464 C4* A 01242 226.285 48.230 78.406 1.00737.35 C ATOM 25465 O4* A 01242 225.465 49.253 77.776 1.00737.35 O ATOM 25466 C3* A 01242 226.978 48.954 79.549 1.00737.35 C ATOM 25467 O3* A 01242 228.195 48.301 79.902 1.00737.35 O ATOM 25468 C2* A 01242 227.222 50.337 78.955 1.00737.35 C ATOM 25469 O2* A 01242 228.355 50.389 78.110 1.00737.35 O ATOM 25470 C1* A 01242 225.951 50.539 78.131 1.00737.35 C ATOM 25471 N9 A 01242 224.893 51.248 78.854 1.00737.35 N ATOM 25472 C8 A 01242 223.876 50.711 79.610 1.00737.35 C ATOM 25473 N7 A 01242 223.081 51.607 80.141 1.00737.35 N ATOM 25474 C5 A 01242 223.604 52.816 79.705 1.00737.35 C ATOM 25475 C6 A 01242 223.214 54.150 79.924 1.00737.35 C ATOM 25476 N6 A 01242 222.160 54.500 80.665 1.00737.35 N ATOM 25477 N1 A 01242 223.952 55.123 79.349 1.00737.35 N ATOM 25478 C2 A 01242 225.010 54.769 78.606 1.00737.35 C ATOM 25479 N3 A 01242 225.476 53.555 78.326 1.00737.35 N ATOM 25480 C4 A 01242 224.720 52.610 78.913 1.00737.35 C ATOM 25481 P G 01243 228.808 48.500 81.375 1.00737.35 P ATOM 25482 O1P G 01243 229.950 47.557 81.506 1.00737.35 O ATOM 25483 O2P G 01243 227.699 48.450 82.362 1.00737.35 O ATOM 25484 O5* G 01243 229.386 49.986 81.353 1.00737.35 O ATOM 25485 C5* G 01243 230.557 50.307 80.604 1.00737.35 C ATOM 25486 C4* G 01243 230.873 51.781 80.718 1.00737.35 C ATOM 25487 O4* G 01243 229.810 52.551 80.098 1.00737.35 O ATOM 25488 C3* G 01243 230.958 52.330 82.133 1.00737.35 C ATOM 25489 O3* G 01243 232.244 52.108 82.699 1.00737.35 O ATOM 25490 C2* G 01243 230.678 53.814 81.917 1.00737.35 C ATOM 25491 O2* G 01243 231.809 54.534 81.469 1.00737.35 O ATOM 25492 C1* G 01243 229.621 53.765 80.810 1.00737.35 C ATOM 25493 N9 G 01243 228.252 53.794 81.320 1.00737.35 N ATOM 25494 C8 G 01243 227.462 52.719 81.651 1.00737.35 C ATOM 25495 N7 G 01243 226.282 53.065 82.085 1.00737.35 N ATOM 25496 C5 G 01243 226.286 54.452 82.038 1.00737.35 C ATOM 25497 C6 G 01243 225.281 55.387 82.387 1.00737.35 C ATOM 25498 O6 G 01243 224.144 55.170 82.824 1.00737.35 O ATOM 25499 N1 G 01243 225.707 56.695 82.184 1.00737.35 N ATOM 25500 C2 G 01243 226.941 57.060 81.706 1.00737.35 C ATOM 25501 N2 G 01243 227.163 58.377 81.579 1.00737.35 N ATOM 25502 N3 G 01243 227.889 56.196 81.377 1.00737.35 N ATOM 25503 C4 G 01243 227.497 54.918 81.566 1.00737.35 C ATOM 25504 P U 01244 232.400 51.961 84.292 1.00737.35 P ATOM 25505 O1P U 01244 233.832 51.675 84.571 1.00737.35 O ATOM 25506 O2P U 01244 231.358 51.023 84.784 1.00737.35 O ATOM 25507 O5* U 01244 232.063 53.417 84.848 1.00737.35 O ATOM 25508 C5* U 01244 232.928 54.518 84.584 1.00737.35 C ATOM 25509 C4* U 01244 232.383 55.781 85.210 1.00737.35 C ATOM 25510 O4* U 01244 231.121 56.132 84.581 1.00737.35 O ATOM 25511 C3* U 01244 232.051 55.705 86.691 1.00737.35 C ATOM 25512 O3* U 01244 233.214 55.906 87.489 1.00737.35 O ATOM 25513 C2* U 01244 231.044 56.839 86.854 1.00737.35 C ATOM 25514 O2* U 01244 231.652 58.110 86.972 1.00737.35 O ATOM 25515 C1* U 01244 230.273 56.754 85.534 1.00737.35 C ATOM 25516 N1 U 01244 229.018 55.987 85.631 1.00737.35 N ATOM 25517 C2 U 01244 227.869 56.670 86.004 1.00737.35 C ATOM 25518 O2 U 01244 227.853 57.866 86.251 1.00737.35 O ATOM 25519 N3 U 01244 226.735 55.899 86.080 1.00737.35 N ATOM 25520 C4 U 01244 226.629 54.548 85.825 1.00737.35 C ATOM 25521 O4 U 01244 225.532 53.994 85.940 1.00737.35 O ATOM 25522 C5 U 01244 227.853 53.913 85.446 1.00737.35 C ATOM 25523 C6 U 01244 228.977 54.633 85.363 1.00737.35 C ATOM 25524 P G 01245 233.258 55.338 88.993 1.00737.35 P ATOM 25525 O1P G 01245 234.653 55.497 89.480 1.00737.35 O ATOM 25526 O2P G 01245 232.624 53.995 89.015 1.00737.35 O ATOM 25527 O5* G 01245 232.327 56.341 89.810 1.00737.35 O ATOM 25528 C5* G 01245 232.725 57.694 90.027 1.00737.35 C ATOM 25529 C4* G 01245 231.606 58.475 90.680 1.00737.35 C ATOM 25530 O4* G 01245 230.464 58.529 89.784 1.00737.35 O ATOM 25531 C3* G 01245 231.043 57.887 91.965 1.00737.35 C ATOM 25532 O3* G 01245 231.835 58.254 93.091 1.00737.35 O ATOM 25533 C2* G 01245 229.654 58.510 92.020 1.00737.35 C ATOM 25534 O2* G 01245 229.655 59.833 92.519 1.00737.35 O ATOM 25535 C1* G 01245 229.264 58.514 90.539 1.00737.35 C ATOM 25536 N9 G 01245 228.478 57.347 90.145 1.00737.35 N ATOM 25537 C8 G 01245 228.945 56.171 89.607 1.00737.35 C ATOM 25538 N7 G 01245 227.996 55.306 89.363 1.00737.35 N ATOM 25539 C5 G 01245 226.833 55.949 89.766 1.00737.35 C ATOM 25540 C6 G 01245 225.484 55.509 89.744 1.00737.35 C ATOM 25541 O6 G 01245 225.033 54.425 89.353 1.00737.35 O ATOM 25542 N1 G 01245 224.621 56.479 90.246 1.00737.35 N ATOM 25543 C2 G 01245 225.006 57.714 90.706 1.00737.35 C ATOM 25544 N2 G 01245 224.021 58.511 91.150 1.00737.35 N ATOM 25545 N3 G 01245 226.257 58.137 90.731 1.00737.35 N ATOM 25546 C4 G 01245 227.113 57.212 90.250 1.00737.35 C ATOM 25547 P G 01246 231.834 57.323 94.405 1.00737.35 P ATOM 25548 O1P G 01246 232.801 57.918 95.364 1.00737.35 O ATOM 25549 O2P G 01246 231.998 55.909 93.980 1.00737.35 O ATOM 25550 O5* G 01246 230.365 57.497 94.998 1.00737.35 O ATOM 25551 C5* G 01246 229.943 58.741 95.553 1.00737.35 C ATOM 25552 C4* G 01246 228.503 58.657 96.005 1.00737.35 C ATOM 25553 O4* G 01246 227.646 58.433 94.858 1.00737.35 O ATOM 25554 C3* G 01246 228.165 57.516 96.954 1.00737.35 C ATOM 25555 O3* G 01246 228.475 57.862 98.300 1.00737.35 O ATOM 25556 C2* G 01246 226.662 57.356 96.742 1.00737.35 C ATOM 25557 O2* G 01246 225.896 58.290 97.476 1.00737.35 O ATOM 25558 C1* G 01246 226.531 57.644 95.243 1.00737.35 C ATOM 25559 N9 G 01246 226.492 56.442 94.413 1.00737.35 N ATOM 25560 C8 G 01246 227.530 55.886 93.702 1.00737.35 C ATOM 25561 N7 G 01246 227.184 54.808 93.049 1.00737.35 N ATOM 25562 C5 G 01246 225.837 54.643 93.345 1.00737.35 C ATOM 25563 C6 G 01246 224.917 53.646 92.924 1.00737.35 C ATOM 25564 O6 G 01246 225.114 52.679 92.176 1.00737.35 O ATOM 25565 N1 G 01246 223.653 53.859 93.464 1.00737.35 N ATOM 25566 C2 G 01246 223.314 54.893 94.301 1.00737.35 C ATOM 25567 N2 G 01246 222.039 54.924 94.719 1.00737.35 N ATOM 25568 N3 G 01246 224.158 55.829 94.701 1.00737.35 N ATOM 25569 C4 G 01246 225.394 55.642 94.187 1.00737.35 C ATOM 25570 P U 01247 228.886 56.711 99.347 1.00737.35 P ATOM 25571 O1P U 01247 229.218 57.384 100.628 1.00737.35 O ATOM 25572 O2P U 01247 229.891 55.826 98.703 1.00737.35 O ATOM 25573 O5* U 01247 227.544 55.877 99.552 1.00737.35 O ATOM 25574 C5* U 01247 226.412 56.456 100.198 1.00737.35 C ATOM 25575 C4* U 01247 225.219 55.532 100.095 1.00737.35 C ATOM 25576 O4* U 01247 224.870 55.359 98.696 1.00737.35 O ATOM 25577 C3* U 01247 225.426 54.118 100.613 1.00737.35 C ATOM 25578 O3* U 01247 225.200 54.061 102.019 1.00737.35 O ATOM 25579 C2* U 01247 224.377 53.330 99.839 1.00737.35 C ATOM 25580 O2* U 01247 223.082 53.428 100.398 1.00737.35 O ATOM 25581 C1* U 01247 224.407 54.036 98.478 1.00737.35 C ATOM 25582 N1 U 01247 225.284 53.387 97.489 1.00737.35 N ATOM 25583 C2 U 01247 224.738 52.390 96.694 1.00737.35 C ATOM 25584 O2 U 01247 223.573 52.030 96.777 1.00737.35 O ATOM 25585 N3 U 01247 225.609 51.828 95.792 1.00737.35 N ATOM 25586 C4 U 01247 226.935 52.147 95.606 1.00737.35 C ATOM 25587 O4 U 01247 227.590 51.549 94.749 1.00737.35 O ATOM 25588 C5 U 01247 227.426 53.180 96.464 1.00737.35 C ATOM 25589 C6 U 01247 226.608 53.750 97.354 1.00737.35 C ATOM 25590 P G 01248 226.010 53.000 102.919 1.00737.35 P ATOM 25591 O1P G 01248 225.627 53.245 104.332 1.00737.35 O ATOM 25592 O2P G 01248 227.443 53.039 102.531 1.00737.35 O ATOM 25593 O5* G 01248 225.412 51.586 102.489 1.00737.35 O ATOM 25594 C5* G 01248 224.041 51.268 102.719 1.00737.35 C ATOM 25595 C4* G 01248 223.650 50.038 101.932 1.00737.35 C ATOM 25596 O4* G 01248 223.879 50.292 100.523 1.00737.35 O ATOM 25597 C3* G 01248 224.447 48.777 102.233 1.00737.35 C ATOM 25598 O3* G 01248 223.877 48.081 103.340 1.00737.35 O ATOM 25599 C2* G 01248 224.313 47.990 100.933 1.00737.35 C ATOM 25600 O2* G 01248 223.089 47.292 100.833 1.00737.35 O ATOM 25601 C1* G 01248 224.345 49.112 99.892 1.00737.35 C ATOM 25602 N9 G 01248 225.674 49.375 99.346 1.00737.35 N ATOM 25603 C8 G 01248 226.694 50.083 99.942 1.00737.35 C ATOM 25604 N7 G 01248 227.768 50.152 99.204 1.00737.35 N ATOM 25605 C5 G 01248 227.440 49.449 98.054 1.00737.35 C ATOM 25606 C6 G 01248 228.209 49.183 96.890 1.00737.35 C ATOM 25607 O6 G 01248 229.370 49.528 96.637 1.00737.35 O ATOM 25608 N1 G 01248 227.491 48.434 95.965 1.00737.35 N ATOM 25609 C2 G 01248 226.202 47.993 96.132 1.00737.35 C ATOM 25610 N2 G 01248 225.684 47.278 95.126 1.00737.35 N ATOM 25611 N3 G 01248 225.476 48.234 97.211 1.00737.35 N ATOM 25612 C4 G 01248 226.153 48.962 98.124 1.00737.35 C ATOM 25613 P G 01249 224.788 47.088 104.226 1.00737.35 P ATOM 25614 O1P G 01249 224.077 46.872 105.511 1.00737.35 O ATOM 25615 O2P G 01249 226.183 47.604 104.240 1.00737.35 O ATOM 25616 O5* G 01249 224.777 45.716 103.418 1.00737.35 O ATOM 25617 C5* G 01249 223.546 45.063 103.098 1.00737.35 C ATOM 25618 C4* G 01249 223.736 44.140 101.915 1.00737.35 C ATOM 25619 O4* G 01249 224.264 44.916 100.805 1.00737.35 O ATOM 25620 C3* G 01249 224.722 42.997 102.110 1.00737.35 C ATOM 25621 O3* G 01249 224.058 41.865 102.681 1.00737.35 O ATOM 25622 C2* G 01249 225.222 42.753 100.688 1.00737.35 C ATOM 25623 O2* G 01249 224.325 41.984 99.910 1.00737.35 O ATOM 25624 C1* G 01249 225.277 44.181 100.142 1.00737.35 C ATOM 25625 N9 G 01249 226.545 44.870 100.371 1.00737.35 N ATOM 25626 C8 G 01249 227.086 45.232 101.586 1.00737.35 C ATOM 25627 N7 G 01249 228.223 45.860 101.474 1.00737.35 N ATOM 25628 C5 G 01249 228.455 45.912 100.107 1.00737.35 C ATOM 25629 C6 G 01249 229.531 46.479 99.380 1.00737.35 C ATOM 25630 O6 G 01249 230.524 47.077 99.814 1.00737.35 O ATOM 25631 N1 G 01249 229.373 46.305 98.012 1.00737.35 N ATOM 25632 C2 G 01249 228.312 45.670 97.415 1.00737.35 C ATOM 25633 N2 G 01249 228.341 45.603 96.079 1.00737.35 N ATOM 25634 N3 G 01249 227.297 45.141 98.080 1.00737.35 N ATOM 25635 C4 G 01249 227.433 45.297 99.413 1.00737.35 C ATOM 25636 P A 01250 224.772 40.419 102.692 1.00737.35 P ATOM 25637 O1P A 01250 224.237 39.678 103.862 1.00737.35 O ATOM 25638 O2P A 01250 226.241 40.592 102.543 1.00737.35 O ATOM 25639 O5* A 01250 224.208 39.721 101.374 1.00737.35 O ATOM 25640 C5* A 01250 224.759 38.501 100.878 1.00737.35 C ATOM 25641 C4* A 01250 224.571 38.427 99.381 1.00737.35 C ATOM 25642 O4* A 01250 225.198 39.589 98.778 1.00737.35 O ATOM 25643 C3* A 01250 225.208 37.241 98.670 1.00737.35 C ATOM 25644 O3* A 01250 224.354 36.099 98.681 1.00737.35 O ATOM 25645 C2* A 01250 225.382 37.779 97.256 1.00737.35 C ATOM 25646 O2* A 01250 224.187 37.743 96.502 1.00737.35 O ATOM 25647 C1* A 01250 225.765 39.235 97.528 1.00737.35 C ATOM 25648 N9 A 01250 227.212 39.454 97.593 1.00737.35 N ATOM 25649 C8 A 01250 228.002 39.604 98.707 1.00737.35 C ATOM 25650 N7 A 01250 229.272 39.785 98.437 1.00737.35 N ATOM 25651 C5 A 01250 229.323 39.754 97.049 1.00737.35 C ATOM 25652 C6 A 01250 230.388 39.885 96.139 1.00737.35 C ATOM 25653 N6 A 01250 231.655 40.084 96.508 1.00737.35 N ATOM 25654 N1 A 01250 230.102 39.804 94.823 1.00737.35 N ATOM 25655 C2 A 01250 228.831 39.605 94.455 1.00737.35 C ATOM 25656 N3 A 01250 227.745 39.465 95.212 1.00737.35 N ATOM 25657 C4 A 01250 228.063 39.551 96.517 1.00737.35 C ATOM 25658 P G 01251 224.983 34.624 98.546 1.00737.35 P ATOM 25659 O1P G 01251 223.853 33.671 98.402 1.00737.35 O ATOM 25660 O2P G 01251 225.961 34.435 99.649 1.00737.35 O ATOM 25661 O5* G 01251 225.793 34.666 97.172 1.00737.35 O ATOM 25662 C5* G 01251 225.159 34.393 95.919 1.00737.35 C ATOM 25663 C4* G 01251 225.381 35.547 94.968 1.00737.35 C ATOM 25664 O4* G 01251 226.802 35.838 94.891 1.00737.35 O ATOM 25665 C3* G 01251 224.973 35.344 93.517 1.00737.35 C ATOM 25666 O3* G 01251 223.578 35.551 93.317 1.00737.35 O ATOM 25667 C2* G 01251 225.801 36.414 92.813 1.00737.35 C ATOM 25668 O2* G 01251 225.242 37.707 92.928 1.00737.35 O ATOM 25669 C1* G 01251 227.111 36.349 93.604 1.00737.35 C ATOM 25670 N9 G 01251 228.104 35.486 92.976 1.00737.35 N ATOM 25671 C8 G 01251 228.240 34.124 93.117 1.00737.35 C ATOM 25672 N7 G 01251 229.216 33.630 92.404 1.00737.35 N ATOM 25673 C5 G 01251 229.761 34.731 91.759 1.00737.35 C ATOM 25674 C6 G 01251 230.847 34.818 90.847 1.00737.35 C ATOM 25675 O6 G 01251 231.564 33.909 90.410 1.00737.35 O ATOM 25676 N1 G 01251 231.065 36.130 90.440 1.00737.35 N ATOM 25677 C2 G 01251 230.336 37.218 90.851 1.00737.35 C ATOM 25678 N2 G 01251 230.701 38.406 90.348 1.00737.35 N ATOM 25679 N3 G 01251 229.320 37.150 91.695 1.00737.35 N ATOM 25680 C4 G 01251 229.091 35.884 92.106 1.00737.35 C ATOM 25681 P C 01252 222.872 35.003 91.977 1.00737.35 P ATOM 25682 O1P C 01252 221.408 35.200 92.137 1.00737.35 O ATOM 25683 O2P C 01252 223.400 33.645 91.688 1.00737.35 O ATOM 25684 O5* C 01252 223.385 35.988 90.833 1.00737.35 O ATOM 25685 C5* C 01252 223.040 37.374 90.851 1.00737.35 C ATOM 25686 C4* C 01252 223.911 38.153 89.890 1.00737.35 C ATOM 25687 O4* C 01252 225.307 37.964 90.248 1.00737.35 O ATOM 25688 C3* C 01252 223.849 37.744 88.426 1.00737.35 C ATOM 25689 O3* C 01252 222.741 38.350 87.764 1.00737.35 O ATOM 25690 C2* C 01252 225.177 38.278 87.898 1.00737.35 C ATOM 25691 O2* C 01252 225.151 39.664 87.624 1.00737.35 O ATOM 25692 C1* C 01252 226.110 37.994 89.076 1.00737.35 C ATOM 25693 N1 C 01252 226.827 36.708 88.950 1.00737.35 N ATOM 25694 C2 C 01252 228.014 36.665 88.197 1.00737.35 C ATOM 25695 O2 C 01252 228.435 37.705 87.664 1.00737.35 O ATOM 25696 N3 C 01252 228.672 35.489 88.069 1.00737.35 N ATOM 25697 C4 C 01252 228.194 34.389 88.652 1.00737.35 C ATOM 25698 N4 C 01252 228.876 33.251 88.494 1.00737.35 N ATOM 25699 C5 C 01252 226.995 34.404 89.422 1.00737.35 C ATOM 25700 C6 C 01252 226.351 35.571 89.545 1.00737.35 C ATOM 25701 P C 01253 222.027 37.594 86.532 1.00737.35 P ATOM 25702 O1P C 01253 220.620 38.065 86.495 1.00737.35 O ATOM 25703 O2P C 01253 222.310 36.138 86.623 1.00737.35 O ATOM 25704 O5* C 01253 222.761 38.166 85.235 1.00737.35 O ATOM 25705 C5* C 01253 224.162 37.988 85.043 1.00737.35 C ATOM 25706 C4* C 01253 224.759 39.210 84.385 1.00737.35 C ATOM 25707 O4* C 01253 226.206 39.152 84.480 1.00737.35 O ATOM 25708 C3* C 01253 224.483 39.367 82.899 1.00737.35 C ATOM 25709 O3* C 01253 223.222 39.986 82.667 1.00737.35 O ATOM 25710 C2* C 01253 225.636 40.255 82.450 1.00737.35 C ATOM 25711 O2* C 01253 225.416 41.629 82.711 1.00737.35 O ATOM 25712 C1* C 01253 226.782 39.741 83.326 1.00737.35 C ATOM 25713 N1 C 01253 227.639 38.740 82.656 1.00737.35 N ATOM 25714 C2 C 01253 228.694 39.185 81.839 1.00737.35 C ATOM 25715 O2 C 01253 228.879 40.405 81.699 1.00737.35 O ATOM 25716 N3 C 01253 229.481 38.273 81.224 1.00737.35 N ATOM 25717 C4 C 01253 229.254 36.968 81.397 1.00737.35 C ATOM 25718 N4 C 01253 230.055 36.107 80.769 1.00737.35 N ATOM 25719 C5 C 01253 228.193 36.489 82.218 1.00737.35 C ATOM 25720 C6 C 01253 227.419 37.400 82.823 1.00737.35 C ATOM 25721 P G 01254 222.241 39.401 81.537 1.00737.35 P ATOM 25722 O1P G 01254 221.224 40.447 81.251 1.00737.35 O ATOM 25723 O2P G 01254 221.798 38.049 81.962 1.00737.35 O ATOM 25724 O5* G 01254 223.167 39.242 80.250 1.00737.35 O ATOM 25725 C5* G 01254 223.786 40.377 79.644 1.00737.35 C ATOM 25726 C4* G 01254 224.885 39.937 78.703 1.00737.35 C ATOM 25727 O4* G 01254 225.893 39.207 79.454 1.00737.35 O ATOM 25728 C3* G 01254 224.470 38.977 77.600 1.00737.35 C ATOM 25729 O3* G 01254 223.945 39.684 76.480 1.00737.35 O ATOM 25730 C2* G 01254 225.781 38.276 77.272 1.00737.35 C ATOM 25731 O2* G 01254 226.622 39.036 76.425 1.00737.35 O ATOM 25732 C1* G 01254 226.415 38.156 78.658 1.00737.35 C ATOM 25733 N9 G 01254 226.127 36.885 79.324 1.00737.35 N ATOM 25734 C8 G 01254 225.156 36.642 80.267 1.00737.35 C ATOM 25735 N7 G 01254 225.138 35.405 80.677 1.00737.35 N ATOM 25736 C5 G 01254 226.158 34.788 79.965 1.00737.35 C ATOM 25737 C6 G 01254 226.614 33.444 79.987 1.00737.35 C ATOM 25738 O6 G 01254 226.196 32.499 80.667 1.00737.35 O ATOM 25739 N1 G 01254 227.671 33.251 79.102 1.00737.35 N ATOM 25740 C2 G 01254 228.221 34.220 78.301 1.00737.35 C ATOM 25741 N2 G 01254 229.237 33.830 77.515 1.00737.35 N ATOM 25742 N3 G 01254 227.806 35.476 78.272 1.00737.35 N ATOM 25743 C4 G 01254 226.779 35.690 79.122 1.00737.35 C ATOM 25744 P A 01255 222.945 38.940 75.464 1.00737.35 P ATOM 25745 O1P A 01255 222.438 39.965 74.515 1.00737.35 O ATOM 25746 O2P A 01255 221.979 38.133 76.255 1.00737.35 O ATOM 25747 O5* A 01255 223.888 37.938 74.661 1.00737.35 O ATOM 25748 C5* A 01255 224.838 38.424 73.714 1.00737.35 C ATOM 25749 C4* A 01255 225.587 37.274 73.081 1.00737.35 C ATOM 25750 O4* A 01255 226.394 36.605 74.086 1.00737.35 O ATOM 25751 C3* A 01255 224.723 36.166 72.499 1.00737.35 C ATOM 25752 O3* A 01255 224.286 36.495 71.186 1.00737.35 O ATOM 25753 C2* A 01255 225.673 34.975 72.509 1.00737.35 C ATOM 25754 O2* A 01255 226.564 34.966 71.411 1.00737.35 O ATOM 25755 C1* A 01255 226.452 35.215 73.805 1.00737.35 C ATOM 25756 N9 A 01255 225.912 34.486 74.956 1.00737.35 N ATOM 25757 C8 A 01255 225.011 34.925 75.896 1.00737.35 C ATOM 25758 N7 A 01255 224.722 34.033 76.812 1.00737.35 N ATOM 25759 C5 A 01255 225.487 32.930 76.454 1.00737.35 C ATOM 25760 C6 A 01255 225.628 31.654 77.025 1.00737.35 C ATOM 25761 N6 A 01255 224.983 31.255 78.123 1.00737.35 N ATOM 25762 N1 A 01255 226.470 30.786 76.421 1.00737.35 N ATOM 25763 C2 A 01255 227.119 31.185 75.320 1.00737.35 C ATOM 25764 N3 A 01255 227.068 32.355 74.690 1.00737.35 N ATOM 25765 C4 A 01255 226.223 33.194 75.313 1.00737.35 C ATOM 25766 P C 01256 222.824 36.038 70.695 1.00737.35 P ATOM 25767 O1P C 01256 222.608 36.624 69.346 1.00737.35 O ATOM 25768 O2P C 01256 221.853 36.326 71.782 1.00737.35 O ATOM 25769 O5* C 01256 222.946 34.455 70.546 1.00737.35 O ATOM 25770 C5* C 01256 223.674 33.875 69.466 1.00737.35 C ATOM 25771 C4* C 01256 223.619 32.365 69.546 1.00737.35 C ATOM 25772 O4* C 01256 224.349 31.913 70.715 1.00737.35 O ATOM 25773 C3* C 01256 222.231 31.765 69.712 1.00737.35 C ATOM 25774 O3* C 01256 221.574 31.637 68.455 1.00737.35 O ATOM 25775 C2* C 01256 222.536 30.412 70.341 1.00737.35 C ATOM 25776 O2* C 01256 222.928 29.436 69.396 1.00737.35 O ATOM 25777 C1* C 01256 223.719 30.758 71.251 1.00737.35 C ATOM 25778 N1 C 01256 223.332 31.037 72.650 1.00737.35 N ATOM 25779 C2 C 01256 223.259 29.968 73.561 1.00737.35 C ATOM 25780 O2 C 01256 223.520 28.817 73.169 1.00737.35 O ATOM 25781 N3 C 01256 222.905 30.216 74.842 1.00737.35 N ATOM 25782 C4 C 01256 222.630 31.463 75.231 1.00737.35 C ATOM 25783 N4 C 01256 222.288 31.658 76.505 1.00737.35 N ATOM 25784 C5 C 01256 222.694 32.566 74.329 1.00737.35 C ATOM 25785 C6 C 01256 223.046 32.310 73.062 1.00737.35 C ATOM 25786 P U 01257 219.975 31.787 68.373 1.00737.35 P ATOM 25787 O1P U 01257 219.590 31.625 66.947 1.00737.35 O ATOM 25788 O2P U 01257 219.581 33.022 69.099 1.00737.35 O ATOM 25789 O5* U 01257 219.424 30.533 69.185 1.00737.35 O ATOM 25790 C5* U 01257 219.586 29.206 68.684 1.00737.35 C ATOM 25791 C4* U 01257 219.150 28.193 69.719 1.00737.35 C ATOM 25792 O4* U 01257 220.003 28.305 70.890 1.00737.35 O ATOM 25793 C3* U 01257 217.740 28.359 70.263 1.00737.35 C ATOM 25794 O3* U 01257 216.781 27.753 69.402 1.00737.35 O ATOM 25795 C2* U 01257 217.832 27.655 71.611 1.00737.35 C ATOM 25796 O2* U 01257 217.734 26.247 71.513 1.00737.35 O ATOM 25797 C1* U 01257 219.240 28.049 72.061 1.00737.35 C ATOM 25798 N1 U 01257 219.264 29.252 72.911 1.00737.35 N ATOM 25799 C2 U 01257 219.148 29.078 74.284 1.00737.35 C ATOM 25800 O2 U 01257 219.034 27.982 74.813 1.00737.35 O ATOM 25801 N3 U 01257 219.168 30.240 75.016 1.00737.35 N ATOM 25802 C4 U 01257 219.293 31.526 74.534 1.00737.35 C ATOM 25803 O4 U 01257 219.297 32.470 75.327 1.00737.35 O ATOM 25804 C5 U 01257 219.411 31.623 73.113 1.00737.35 C ATOM 25805 C6 U 01257 219.393 30.514 72.369 1.00737.35 C ATOM 25806 P G 01258 215.237 28.197 69.485 1.00737.35 P ATOM 25807 O1P G 01258 214.558 27.659 68.279 1.00737.35 O ATOM 25808 O2P G 01258 215.172 29.654 69.770 1.00737.35 O ATOM 25809 O5* G 01258 214.684 27.418 70.760 1.00737.35 O ATOM 25810 C5* G 01258 214.480 26.006 70.721 1.00737.35 C ATOM 25811 C4* G 01258 214.040 25.496 72.073 1.00737.35 C ATOM 25812 O4* G 01258 215.106 25.688 73.039 1.00737.35 O ATOM 25813 C3* G 01258 212.844 26.196 72.700 1.00737.35 C ATOM 25814 O3* G 01258 211.620 25.684 72.181 1.00737.35 O ATOM 25815 C2* G 01258 213.024 25.864 74.178 1.00737.35 C ATOM 25816 O2* G 01258 212.569 24.567 74.511 1.00737.35 O ATOM 25817 C1* G 01258 214.549 25.922 74.322 1.00737.35 C ATOM 25818 N9 G 01258 215.044 27.201 74.825 1.00737.35 N ATOM 25819 C8 G 01258 215.455 28.287 74.087 1.00737.35 C ATOM 25820 N7 G 01258 215.848 29.290 74.826 1.00737.35 N ATOM 25821 C5 G 01258 215.689 28.841 76.130 1.00737.35 C ATOM 25822 C6 G 01258 215.952 29.491 77.365 1.00737.35 C ATOM 25823 O6 G 01258 216.392 30.632 77.559 1.00737.35 O ATOM 25824 N1 G 01258 215.647 28.671 78.448 1.00737.35 N ATOM 25825 C2 G 01258 215.154 27.393 78.357 1.00737.35 C ATOM 25826 N2 G 01258 214.926 26.765 79.521 1.00737.35 N ATOM 25827 N3 G 01258 214.905 26.778 77.215 1.00737.35 N ATOM 25828 C4 G 01258 215.194 27.555 76.146 1.00737.35 C ATOM 25829 P A 01259 210.279 26.572 72.264 1.00737.35 P ATOM 25830 O1P A 01259 209.256 25.905 71.417 1.00737.35 O ATOM 25831 O2P A 01259 210.627 27.994 72.006 1.00737.35 O ATOM 25832 O5* A 01259 209.823 26.441 73.785 1.00737.35 O ATOM 25833 C5* A 01259 209.461 25.173 74.332 1.00737.35 C ATOM 25834 C4* A 01259 209.463 25.231 75.843 1.00737.35 C ATOM 25835 O4* A 01259 210.789 25.614 76.299 1.00737.35 O ATOM 25836 C3* A 01259 208.540 26.259 76.478 1.00737.35 C ATOM 25837 O3* A 01259 207.212 25.757 76.610 1.00737.35 O ATOM 25838 C2* A 01259 209.199 26.477 77.834 1.00737.35 C ATOM 25839 O2* A 01259 208.909 25.450 78.762 1.00737.35 O ATOM 25840 C1* A 01259 210.680 26.424 77.459 1.00737.35 C ATOM 25841 N9 A 01259 211.249 27.742 77.165 1.00737.35 N ATOM 25842 C8 A 01259 211.373 28.364 75.946 1.00737.35 C ATOM 25843 N7 A 01259 211.926 29.551 76.014 1.00737.35 N ATOM 25844 C5 A 01259 212.184 29.724 77.366 1.00737.35 C ATOM 25845 C6 A 01259 212.765 30.781 78.091 1.00737.35 C ATOM 25846 N6 A 01259 213.209 31.906 77.529 1.00737.35 N ATOM 25847 N1 A 01259 212.876 30.637 79.432 1.00737.35 N ATOM 25848 C2 A 01259 212.430 29.506 79.991 1.00737.35 C ATOM 25849 N3 A 01259 211.869 28.443 79.418 1.00737.35 N ATOM 25850 C4 A 01259 211.773 28.618 78.087 1.00737.35 C ATOM 25851 P A 01260 205.977 26.783 76.740 1.00737.35 P ATOM 25852 O1P A 01260 204.730 25.989 76.593 1.00737.35 O ATOM 25853 O2P A 01260 206.221 27.936 75.836 1.00737.35 O ATOM 25854 O5* A 01260 206.055 27.303 78.248 1.00737.35 O ATOM 25855 C5* A 01260 205.976 26.393 79.344 1.00737.35 C ATOM 25856 C4* A 01260 206.577 27.007 80.589 1.00737.35 C ATOM 25857 O4* A 01260 207.915 27.473 80.279 1.00737.35 O ATOM 25858 C3* A 01260 205.862 28.225 81.164 1.00737.35 C ATOM 25859 O3* A 01260 204.823 27.802 82.049 1.00737.35 O ATOM 25860 C2* A 01260 206.992 28.949 81.892 1.00737.35 C ATOM 25861 O2* A 01260 207.275 28.394 83.163 1.00737.35 O ATOM 25862 C1* A 01260 208.172 28.693 80.954 1.00737.35 C ATOM 25863 N9 A 01260 208.372 29.742 79.952 1.00737.35 N ATOM 25864 C8 A 01260 208.131 29.678 78.599 1.00737.35 C ATOM 25865 N7 A 01260 208.433 30.778 77.956 1.00737.35 N ATOM 25866 C5 A 01260 208.896 31.628 78.950 1.00737.35 C ATOM 25867 C6 A 01260 209.376 32.948 78.911 1.00737.35 C ATOM 25868 N6 A 01260 209.485 33.665 77.790 1.00737.35 N ATOM 25869 N1 A 01260 209.752 33.512 80.081 1.00737.35 N ATOM 25870 C2 A 01260 209.654 32.786 81.202 1.00737.35 C ATOM 25871 N3 A 01260 209.228 31.536 81.363 1.00737.35 N ATOM 25872 C4 A 01260 208.858 31.007 80.185 1.00737.35 C ATOM 25873 P G 01261 204.061 28.878 82.977 1.00737.35 P ATOM 25874 O1P G 01261 205.047 29.431 83.940 1.00737.35 O ATOM 25875 O2P G 01261 202.829 28.224 83.491 1.00737.35 O ATOM 25876 O5* G 01261 203.641 30.046 81.975 1.00737.35 O ATOM 25877 C5* G 01261 202.361 30.046 81.349 1.00737.35 C ATOM 25878 C4* G 01261 201.402 30.908 82.135 1.00737.35 C ATOM 25879 O4* G 01261 201.356 30.426 83.505 1.00737.35 O ATOM 25880 C3* G 01261 201.779 32.376 82.265 1.00737.35 C ATOM 25881 O3* G 01261 201.328 33.113 81.133 1.00737.35 O ATOM 25882 C2* G 01261 201.055 32.783 83.545 1.00737.35 C ATOM 25883 O2* G 01261 199.684 33.056 83.343 1.00737.35 O ATOM 25884 C1* G 01261 201.217 31.520 84.397 1.00737.35 C ATOM 25885 N9 G 01261 202.385 31.550 85.276 1.00737.35 N ATOM 25886 C8 G 01261 203.686 31.803 84.914 1.00737.35 C ATOM 25887 N7 G 01261 204.515 31.772 85.921 1.00737.35 N ATOM 25888 C5 G 01261 203.716 31.482 87.017 1.00737.35 C ATOM 25889 C6 G 01261 204.056 31.323 88.387 1.00737.35 C ATOM 25890 O6 G 01261 205.167 31.412 88.920 1.00737.35 O ATOM 25891 N1 G 01261 202.938 31.031 89.160 1.00737.35 N ATOM 25892 C2 G 01261 201.656 30.907 88.681 1.00737.35 C ATOM 25893 N2 G 01261 200.713 30.621 89.589 1.00737.35 N ATOM 25894 N3 G 01261 201.325 31.054 87.409 1.00737.35 N ATOM 25895 C4 G 01261 202.396 31.339 86.638 1.00737.35 C ATOM 25896 P U 01262 201.818 34.629 80.913 1.00737.35 P ATOM 25897 O1P U 01262 201.413 35.408 82.110 1.00737.35 O ATOM 25898 O2P U 01262 201.361 35.063 79.567 1.00737.35 O ATOM 25899 O5* U 01262 203.410 34.537 80.903 1.00737.35 O ATOM 25900 C5* U 01262 204.113 34.038 79.765 1.00737.35 C ATOM 25901 C4* U 01262 205.399 34.805 79.572 1.00737.35 C ATOM 25902 O4* U 01262 206.126 34.242 78.446 1.00737.35 O ATOM 25903 C3* U 01262 205.234 36.273 79.214 1.00737.35 C ATOM 25904 O3* U 01262 205.060 37.074 80.382 1.00737.35 O ATOM 25905 C2* U 01262 206.545 36.582 78.505 1.00737.35 C ATOM 25906 O2* U 01262 207.618 36.807 79.397 1.00737.35 O ATOM 25907 C1* U 01262 206.782 35.282 77.733 1.00737.35 C ATOM 25908 N1 U 01262 206.262 35.311 76.355 1.00737.35 N ATOM 25909 C2 U 01262 207.081 35.834 75.364 1.00737.35 C ATOM 25910 O2 U 01262 208.204 36.266 75.583 1.00737.35 O ATOM 25911 N3 U 01262 206.536 35.836 74.102 1.00737.35 N ATOM 25912 C4 U 01262 205.285 35.378 73.733 1.00737.35 C ATOM 25913 O4 U 01262 204.939 35.445 72.553 1.00737.35 O ATOM 25914 C5 U 01262 204.502 34.855 74.810 1.00737.35 C ATOM 25915 C6 U 01262 205.002 34.839 76.050 1.00737.35 C ATOM 25916 P G 01263 204.056 38.332 80.350 1.00737.35 P ATOM 25917 O1P G 01263 203.243 38.269 81.590 1.00737.35 O ATOM 25918 O2P G 01263 203.374 38.379 79.031 1.00737.35 O ATOM 25919 O5* G 01263 205.021 39.600 80.444 1.00737.35 O ATOM 25920 C5* G 01263 205.522 40.053 81.701 1.00737.35 C ATOM 25921 C4* G 01263 205.895 41.516 81.620 1.00737.35 C ATOM 25922 O4* G 01263 207.025 41.680 80.724 1.00737.35 O ATOM 25923 C3* G 01263 204.812 42.434 81.070 1.00737.35 C ATOM 25924 O3* G 01263 203.800 42.709 82.057 1.00737.35 O ATOM 25925 C2* G 01263 205.609 43.574 80.437 1.00737.35 C ATOM 25926 O2* G 01263 206.041 44.594 81.316 1.00737.35 O ATOM 25927 C1* G 01263 206.834 42.823 79.905 1.00737.35 C ATOM 25928 N9 G 01263 206.726 42.367 78.521 1.00737.35 N ATOM 25929 C8 G 01263 205.791 41.497 78.004 1.00737.35 C ATOM 25930 N7 G 01263 205.961 41.256 76.734 1.00737.35 N ATOM 25931 C5 G 01263 207.073 42.011 76.385 1.00737.35 C ATOM 25932 C6 G 01263 207.736 42.146 75.137 1.00737.35 C ATOM 25933 O6 G 01263 207.468 41.602 74.060 1.00737.35 O ATOM 25934 N1 G 01263 208.818 43.016 75.224 1.00737.35 N ATOM 25935 C2 G 01263 209.217 43.670 76.363 1.00737.35 C ATOM 25936 N2 G 01263 210.290 44.467 76.241 1.00737.35 N ATOM 25937 N3 G 01263 208.611 43.551 77.536 1.00737.35 N ATOM 25938 C4 G 01263 207.554 42.712 77.473 1.00737.35 C ATOM 25939 P C 01264 203.933 43.954 83.074 1.00737.35 P ATOM 25940 O1P C 01264 205.338 44.039 83.543 1.00737.35 O ATOM 25941 O2P C 01264 202.842 43.796 84.072 1.00737.35 O ATOM 25942 O5* C 01264 203.599 45.243 82.195 1.00737.35 O ATOM 25943 C5* C 01264 203.051 46.412 82.807 1.00737.35 C ATOM 25944 C4* C 01264 202.275 47.228 81.798 1.00737.35 C ATOM 25945 O4* C 01264 201.370 46.360 81.064 1.00737.35 O ATOM 25946 C3* C 01264 201.371 48.293 82.402 1.00737.35 C ATOM 25947 O3* C 01264 202.080 49.498 82.668 1.00737.35 O ATOM 25948 C2* C 01264 200.316 48.474 81.318 1.00737.35 C ATOM 25949 O2* C 01264 200.739 49.309 80.257 1.00737.35 O ATOM 25950 C1* C 01264 200.149 47.037 80.818 1.00737.35 C ATOM 25951 N1 C 01264 199.057 46.303 81.492 1.00737.35 N ATOM 25952 C2 C 01264 197.744 46.447 81.011 1.00737.35 C ATOM 25953 O2 C 01264 197.531 47.186 80.037 1.00737.35 O ATOM 25954 N3 C 01264 196.741 45.777 81.626 1.00737.35 N ATOM 25955 C4 C 01264 197.008 44.992 82.672 1.00737.35 C ATOM 25956 N4 C 01264 195.988 44.352 83.248 1.00737.35 N ATOM 25957 C5 C 01264 198.329 44.827 83.177 1.00737.35 C ATOM 25958 C6 C 01264 199.313 45.495 82.564 1.00737.35 C ATOM 25959 P G 01265 201.968 50.180 84.121 1.00737.35 P ATOM 25960 O1P G 01265 202.625 51.509 84.036 1.00737.35 O ATOM 25961 O2P G 01265 202.434 49.195 85.130 1.00737.35 O ATOM 25962 O5* G 01265 200.402 50.413 84.329 1.00737.35 O ATOM 25963 C5* G 01265 199.859 50.604 85.633 1.00737.35 C ATOM 25964 C4* G 01265 198.555 51.368 85.556 1.00737.35 C ATOM 25965 O4* G 01265 198.805 52.673 84.970 1.00737.35 O ATOM 25966 C3* G 01265 197.471 50.755 84.681 1.00737.35 C ATOM 25967 O3* G 01265 196.709 49.795 85.412 1.00737.35 O ATOM 25968 C2* G 01265 196.628 51.973 84.314 1.00737.35 C ATOM 25969 O2* G 01265 195.716 52.340 85.329 1.00737.35 O ATOM 25970 C1* G 01265 197.700 53.057 84.167 1.00737.35 C ATOM 25971 N9 G 01265 198.171 53.243 82.798 1.00737.35 N ATOM 25972 C8 G 01265 199.072 52.459 82.113 1.00737.35 C ATOM 25973 N7 G 01265 199.302 52.880 80.901 1.00737.35 N ATOM 25974 C5 G 01265 198.503 54.009 80.769 1.00737.35 C ATOM 25975 C6 G 01265 198.333 54.890 79.670 1.00737.35 C ATOM 25976 O6 G 01265 198.871 54.849 78.557 1.00737.35 O ATOM 25977 N1 G 01265 197.428 55.904 79.966 1.00737.35 N ATOM 25978 C2 G 01265 196.772 56.055 81.162 1.00737.35 C ATOM 25979 N2 G 01265 195.937 57.101 81.252 1.00737.35 N ATOM 25980 N3 G 01265 196.922 55.243 82.195 1.00737.35 N ATOM 25981 C4 G 01265 197.797 54.246 81.930 1.00737.35 C ATOM 25982 P G 01266 195.900 48.643 84.629 1.00737.35 P ATOM 25983 O1P G 01266 196.645 47.373 84.826 1.00737.35 O ATOM 25984 O2P G 01266 195.608 49.114 83.248 1.00737.35 O ATOM 25985 O5* G 01266 194.527 48.531 85.433 1.00737.35 O ATOM 25986 C5* G 01266 193.275 48.451 84.750 1.00737.35 C ATOM 25987 C4* G 01266 192.464 49.699 85.013 1.00737.35 C ATOM 25988 O4* G 01266 193.276 50.858 84.680 1.00737.35 O ATOM 25989 C3* G 01266 191.202 49.861 84.178 1.00737.35 C ATOM 25990 O3* G 01266 190.083 49.182 84.751 1.00737.35 O ATOM 25991 C2* G 01266 191.022 51.376 84.163 1.00737.35 C ATOM 25992 O2* G 01266 190.434 51.874 85.348 1.00737.35 O ATOM 25993 C1* G 01266 192.472 51.848 84.060 1.00737.35 C ATOM 25994 N9 G 01266 192.930 52.008 82.681 1.00737.35 N ATOM 25995 C8 G 01266 193.325 51.012 81.816 1.00737.35 C ATOM 25996 N7 G 01266 193.677 51.460 80.643 1.00737.35 N ATOM 25997 C5 G 01266 193.507 52.834 80.734 1.00737.35 C ATOM 25998 C6 G 01266 193.729 53.851 79.770 1.00737.35 C ATOM 25999 O6 G 01266 194.132 53.736 78.606 1.00737.35 O ATOM 26000 N1 G 01266 193.431 55.112 80.279 1.00737.35 N ATOM 26001 C2 G 01266 192.977 55.364 81.551 1.00737.35 C ATOM 26002 N2 G 01266 192.749 56.649 81.852 1.00737.35 N ATOM 26003 N3 G 01266 192.764 54.423 82.458 1.00737.35 N ATOM 26004 C4 G 01266 193.048 53.190 81.985 1.00737.35 C ATOM 26005 P A 01267 188.636 49.302 84.054 1.00737.35 P ATOM 26006 O1P A 01267 188.826 49.150 82.588 1.00737.35 O ATOM 26007 O2P A 01267 187.980 50.526 84.582 1.00737.35 O ATOM 26008 O5* A 01267 187.819 48.039 84.577 1.00737.35 O ATOM 26009 C5* A 01267 186.475 47.819 84.147 1.00737.35 C ATOM 26010 C4* A 01267 186.102 46.358 84.278 1.00737.35 C ATOM 26011 O4* A 01267 187.035 45.553 83.510 1.00737.35 O ATOM 26012 C3* A 01267 186.161 45.767 85.676 1.00737.35 C ATOM 26013 O3* A 01267 184.960 46.043 86.392 1.00737.35 O ATOM 26014 C2* A 01267 186.315 44.277 85.386 1.00737.35 C ATOM 26015 O2* A 01267 185.092 43.637 85.083 1.00737.35 O ATOM 26016 C1* A 01267 187.209 44.297 84.143 1.00737.35 C ATOM 26017 N9 A 01267 188.631 44.115 84.443 1.00737.35 N ATOM 26018 C8 A 01267 189.544 45.062 84.844 1.00737.35 C ATOM 26019 N7 A 01267 190.750 44.587 85.034 1.00737.35 N ATOM 26020 C5 A 01267 190.627 43.237 84.737 1.00737.35 C ATOM 26021 C6 A 01267 191.554 42.179 84.745 1.00737.35 C ATOM 26022 N6 A 01267 192.840 42.321 85.076 1.00737.35 N ATOM 26023 N1 A 01267 191.109 40.951 84.398 1.00737.35 N ATOM 26024 C2 A 01267 189.819 40.809 84.067 1.00737.35 C ATOM 26025 N3 A 01267 188.854 41.724 84.020 1.00737.35 N ATOM 26026 C4 A 01267 189.328 42.931 84.372 1.00737.35 C ATOM 26027 P U 01268 184.917 45.859 87.990 1.00737.35 P ATOM 26028 O1P U 01268 186.311 45.712 88.473 1.00737.35 O ATOM 26029 O2P U 01268 183.921 44.802 88.301 1.00737.35 O ATOM 26030 O5* U 01268 184.345 47.246 88.529 1.00737.35 O ATOM 26031 C5* U 01268 185.019 48.475 88.260 1.00737.35 C ATOM 26032 C4* U 01268 184.343 49.615 88.989 1.00737.35 C ATOM 26033 O4* U 01268 182.965 49.710 88.539 1.00737.35 O ATOM 26034 C3* U 01268 184.238 49.460 90.499 1.00737.35 C ATOM 26035 O3* U 01268 185.419 49.938 91.140 1.00737.35 O ATOM 26036 C2* U 01268 183.032 50.331 90.836 1.00737.35 C ATOM 26037 O2* U 01268 183.345 51.705 90.932 1.00737.35 O ATOM 26038 C1* U 01268 182.130 50.084 89.624 1.00737.35 C ATOM 26039 N1 U 01268 181.131 49.025 89.838 1.00737.35 N ATOM 26040 C2 U 01268 179.912 49.386 90.394 1.00737.35 C ATOM 26041 O2 U 01268 179.631 50.534 90.702 1.00737.35 O ATOM 26042 N3 U 01268 179.028 48.351 90.573 1.00737.35 N ATOM 26043 C4 U 01268 179.230 47.021 90.262 1.00737.35 C ATOM 26044 O4 U 01268 178.336 46.204 90.488 1.00737.35 O ATOM 26045 C5 U 01268 180.510 46.726 89.695 1.00737.35 C ATOM 26046 C6 U 01268 181.392 47.711 89.508 1.00737.35 C ATOM 26047 P G 01269 185.946 49.221 92.478 1.00737.35 P ATOM 26048 O1P G 01269 184.796 49.110 93.413 1.00737.35 O ATOM 26049 O2P G 01269 187.184 49.914 92.919 1.00737.35 O ATOM 26050 O5* G 01269 186.338 47.752 92.004 1.00737.35 O ATOM 26051 C5* G 01269 187.295 47.544 90.966 1.00737.35 C ATOM 26052 C4* G 01269 187.743 46.103 90.953 1.00737.35 C ATOM 26053 O4* G 01269 188.629 45.879 89.826 1.00737.35 O ATOM 26054 C3* G 01269 188.546 45.659 92.163 1.00737.35 C ATOM 26055 O3* G 01269 187.675 45.277 93.223 1.00737.35 O ATOM 26056 C2* G 01269 189.332 44.473 91.613 1.00737.35 C ATOM 26057 O2* G 01269 188.581 43.278 91.577 1.00737.35 O ATOM 26058 C1* G 01269 189.626 44.936 90.182 1.00737.35 C ATOM 26059 N9 G 01269 190.936 45.563 90.009 1.00737.35 N ATOM 26060 C8 G 01269 191.208 46.907 89.918 1.00737.35 C ATOM 26061 N7 G 01269 192.477 47.164 89.749 1.00737.35 N ATOM 26062 C5 G 01269 193.083 45.916 89.727 1.00737.35 C ATOM 26063 C6 G 01269 194.446 45.561 89.569 1.00737.35 C ATOM 26064 O6 G 01269 195.423 46.303 89.405 1.00737.35 O ATOM 26065 N1 G 01269 194.622 44.183 89.615 1.00737.35 N ATOM 26066 C2 G 01269 193.620 43.261 89.788 1.00737.35 C ATOM 26067 N2 G 01269 193.995 41.972 89.810 1.00737.35 N ATOM 26068 N3 G 01269 192.342 43.578 89.930 1.00737.35 N ATOM 26069 C4 G 01269 192.146 44.914 89.892 1.00737.35 C ATOM 26070 P C 01270 188.103 45.550 94.748 1.00737.35 P ATOM 26071 O1P C 01270 186.899 45.331 95.589 1.00737.35 O ATOM 26072 O2P C 01270 188.815 46.853 94.818 1.00737.35 O ATOM 26073 O5* C 01270 189.154 44.393 95.064 1.00737.35 O ATOM 26074 C5* C 01270 188.726 43.047 95.268 1.00737.35 C ATOM 26075 C4* C 01270 189.921 42.142 95.454 1.00737.35 C ATOM 26076 O4* C 01270 190.696 42.112 94.225 1.00737.35 O ATOM 26077 C3* C 01270 190.912 42.582 96.522 1.00737.35 C ATOM 26078 O3* C 01270 190.514 42.127 97.811 1.00737.35 O ATOM 26079 C2* C 01270 192.206 41.929 96.050 1.00737.35 C ATOM 26080 O2* C 01270 192.295 40.561 96.393 1.00737.35 O ATOM 26081 C1* C 01270 192.082 42.082 94.533 1.00737.35 C ATOM 26082 N1 C 01270 192.707 43.315 94.011 1.00737.35 N ATOM 26083 C2 C 01270 194.078 43.310 93.707 1.00737.35 C ATOM 26084 O2 C 01270 194.739 42.273 93.888 1.00737.35 O ATOM 26085 N3 C 01270 194.649 44.439 93.224 1.00737.35 N ATOM 26086 C4 C 01270 193.912 45.537 93.049 1.00737.35 C ATOM 26087 N4 C 01270 194.521 46.627 92.571 1.00737.35 N ATOM 26088 C5 C 01270 192.522 45.571 93.350 1.00737.35 C ATOM 26089 C6 C 01270 191.963 44.451 93.823 1.00737.35 C ATOM 26090 P C 01271 190.802 43.041 99.103 1.00737.35 P ATOM 26091 O1P C 01271 190.159 42.373 100.265 1.00737.35 O ATOM 26092 O2P C 01271 190.448 44.446 98.778 1.00737.35 O ATOM 26093 O5* C 01271 192.384 42.959 99.288 1.00737.35 O ATOM 26094 C5* C 01271 192.997 41.796 99.842 1.00737.35 C ATOM 26095 C4* C 01271 194.486 42.003 99.991 1.00737.35 C ATOM 26096 O4* C 01271 195.092 42.140 98.677 1.00737.35 O ATOM 26097 C3* C 01271 194.913 43.264 100.731 1.00737.35 C ATOM 26098 O3* C 01271 194.884 43.065 102.141 1.00737.35 O ATOM 26099 C2* C 01271 196.330 43.473 100.210 1.00737.35 C ATOM 26100 O2* C 01271 197.288 42.662 100.860 1.00737.35 O ATOM 26101 C1* C 01271 196.187 43.041 98.749 1.00737.35 C ATOM 26102 N1 C 01271 195.944 44.164 97.822 1.00737.35 N ATOM 26103 C2 C 01271 197.044 44.876 97.315 1.00737.35 C ATOM 26104 O2 C 01271 198.191 44.535 97.647 1.00737.35 O ATOM 26105 N3 C 01271 196.829 45.911 96.469 1.00737.35 N ATOM 26106 C4 C 01271 195.582 46.249 96.129 1.00737.35 C ATOM 26107 N4 C 01271 195.419 47.279 95.299 1.00737.35 N ATOM 26108 C5 C 01271 194.447 45.543 96.628 1.00737.35 C ATOM 26109 C6 C 01271 194.670 44.519 97.462 1.00737.35 C ATOM 26110 P G 01272 194.629 44.321 103.114 1.00737.35 P ATOM 26111 O1P G 01272 194.540 43.789 104.499 1.00737.35 O ATOM 26112 O2P G 01272 193.510 45.126 102.567 1.00737.35 O ATOM 26113 O5* G 01272 195.969 45.177 102.990 1.00737.35 O ATOM 26114 C5* G 01272 197.180 44.739 103.600 1.00737.35 C ATOM 26115 C4* G 01272 198.291 45.735 103.348 1.00737.35 C ATOM 26116 O4* G 01272 198.620 45.751 101.936 1.00737.35 O ATOM 26117 C3* G 01272 197.972 47.185 103.678 1.00737.35 C ATOM 26118 O3* G 01272 198.163 47.450 105.064 1.00737.35 O ATOM 26119 C2* G 01272 198.971 47.941 102.808 1.00737.35 C ATOM 26120 O2* G 01272 200.260 48.021 103.384 1.00737.35 O ATOM 26121 C1* G 01272 199.016 47.059 101.555 1.00737.35 C ATOM 26122 N9 G 01272 198.140 47.517 100.479 1.00737.35 N ATOM 26123 C8 G 01272 196.825 47.174 100.271 1.00737.35 C ATOM 26124 N7 G 01272 196.308 47.742 99.214 1.00737.35 N ATOM 26125 C5 G 01272 197.342 48.506 98.694 1.00737.35 C ATOM 26126 C6 G 01272 197.379 49.347 97.549 1.00737.35 C ATOM 26127 O6 G 01272 196.474 49.586 96.739 1.00737.35 O ATOM 26128 N1 G 01272 198.629 49.936 97.386 1.00737.35 N ATOM 26129 C2 G 01272 199.705 49.745 98.217 1.00737.35 C ATOM 26130 N2 G 01272 200.826 50.406 97.892 1.00737.35 N ATOM 26131 N3 G 01272 199.686 48.966 99.286 1.00737.35 N ATOM 26132 C4 G 01272 198.480 48.381 99.463 1.00737.35 C ATOM 26133 P G 01273 197.363 48.655 105.766 1.00737.35 P ATOM 26134 O1P G 01273 197.540 48.508 107.235 1.00737.35 O ATOM 26135 O2P G 01273 195.990 48.706 105.198 1.00737.35 O ATOM 26136 O5* G 01273 198.143 49.963 105.296 1.00737.35 O ATOM 26137 C5* G 01273 199.462 50.237 105.765 1.00737.35 C ATOM 26138 C4* G 01273 200.077 51.370 104.974 1.00737.35 C ATOM 26139 O4* G 01273 200.164 50.985 103.577 1.00737.35 O ATOM 26140 C3* G 01273 199.291 52.674 104.956 1.00737.35 C ATOM 26141 O3* G 01273 199.576 53.461 106.111 1.00737.35 O ATOM 26142 C2* G 01273 199.795 53.329 103.678 1.00737.35 C ATOM 26143 O2* G 01273 201.049 53.962 103.834 1.00737.35 O ATOM 26144 C1* G 01273 199.939 52.119 102.753 1.00737.35 C ATOM 26145 N9 G 01273 198.753 51.870 101.936 1.00737.35 N ATOM 26146 C8 G 01273 197.686 51.061 102.244 1.00737.35 C ATOM 26147 N7 G 01273 196.769 51.043 101.316 1.00737.35 N ATOM 26148 C5 G 01273 197.259 51.892 100.331 1.00737.35 C ATOM 26149 C6 G 01273 196.700 52.271 99.083 1.00737.35 C ATOM 26150 O6 G 01273 195.625 51.922 98.583 1.00737.35 O ATOM 26151 N1 G 01273 197.529 53.151 98.399 1.00737.35 N ATOM 26152 C2 G 01273 198.741 53.612 98.853 1.00737.35 C ATOM 26153 N2 G 01273 199.393 54.459 98.039 1.00737.35 N ATOM 26154 N3 G 01273 199.273 53.266 100.013 1.00737.35 N ATOM 26155 C4 G 01273 198.484 52.410 100.697 1.00737.35 C ATOM 26156 P C 01274 198.503 54.544 106.623 1.00737.35 P ATOM 26157 O1P C 01274 198.983 55.089 107.922 1.00737.35 O ATOM 26158 O2P C 01274 197.156 53.925 106.544 1.00737.35 O ATOM 26159 O5* C 01274 198.579 55.708 105.536 1.00737.35 O ATOM 26160 C5* C 01274 199.785 56.447 105.340 1.00737.35 C ATOM 26161 C4* C 01274 199.737 57.200 104.029 1.00737.35 C ATOM 26162 O4* C 01274 199.601 56.254 102.934 1.00737.35 O ATOM 26163 C3* C 01274 198.569 58.158 103.839 1.00737.35 C ATOM 26164 O3* C 01274 198.825 59.416 104.452 1.00737.35 O ATOM 26165 C2* C 01274 198.495 58.262 102.321 1.00737.35 C ATOM 26166 O2* C 01274 199.473 59.131 101.778 1.00737.35 O ATOM 26167 C1* C 01274 198.801 56.821 101.906 1.00737.35 C ATOM 26168 N1 C 01274 197.584 56.001 101.741 1.00737.35 N ATOM 26169 C2 C 01274 196.935 55.993 100.496 1.00737.35 C ATOM 26170 O2 C 01274 197.404 56.669 99.564 1.00737.35 O ATOM 26171 N3 C 01274 195.814 55.250 100.340 1.00737.35 N ATOM 26172 C4 C 01274 195.338 54.536 101.366 1.00737.35 C ATOM 26173 N4 C 01274 194.227 53.821 101.163 1.00737.35 N ATOM 26174 C5 C 01274 195.978 54.523 102.637 1.00737.35 C ATOM 26175 C6 C 01274 197.086 55.260 102.780 1.00737.35 C ATOM 26176 P A 01275 197.622 60.469 104.656 1.00737.35 P ATOM 26177 O1P A 01275 198.103 61.540 105.563 1.00737.35 O ATOM 26178 O2P A 01275 196.396 59.705 105.006 1.00737.35 O ATOM 26179 O5* A 01275 197.416 61.100 103.206 1.00737.35 O ATOM 26180 C5* A 01275 198.466 61.837 102.580 1.00737.35 C ATOM 26181 C4* A 01275 197.990 62.447 101.281 1.00737.35 C ATOM 26182 O4* A 01275 197.613 61.400 100.350 1.00737.35 O ATOM 26183 C3* A 01275 196.755 63.329 101.361 1.00737.35 C ATOM 26184 O3* A 01275 197.104 64.648 101.769 1.00737.35 O ATOM 26185 C2* A 01275 196.254 63.305 99.921 1.00737.35 C ATOM 26186 O2* A 01275 196.949 64.208 99.082 1.00737.35 O ATOM 26187 C1* A 01275 196.573 61.866 99.506 1.00737.35 C ATOM 26188 N9 A 01275 195.429 60.959 99.619 1.00737.35 N ATOM 26189 C8 A 01275 195.132 60.088 100.640 1.00737.35 C ATOM 26190 N7 A 01275 194.028 59.409 100.451 1.00737.35 N ATOM 26191 C5 A 01275 193.566 59.858 99.223 1.00737.35 C ATOM 26192 C6 A 01275 192.428 59.526 98.459 1.00737.35 C ATOM 26193 N6 A 01275 191.516 58.627 98.840 1.00737.35 N ATOM 26194 N1 A 01275 192.257 60.161 97.276 1.00737.35 N ATOM 26195 C2 A 01275 193.174 61.062 96.897 1.00737.35 C ATOM 26196 N3 A 01275 194.281 61.456 97.526 1.00737.35 N ATOM 26197 C4 A 01275 194.418 60.811 98.696 1.00737.35 C ATOM 26198 P U 01276 196.036 65.545 102.569 1.00737.35 P ATOM 26199 O1P U 01276 196.661 66.867 102.839 1.00737.35 O ATOM 26200 O2P U 01276 195.527 64.730 103.702 1.00737.35 O ATOM 26201 O5* U 01276 194.846 65.747 101.525 1.00737.35 O ATOM 26202 C5* U 01276 195.029 66.532 100.346 1.00737.35 C ATOM 26203 C4* U 01276 193.820 66.424 99.444 1.00737.35 C ATOM 26204 O4* U 01276 193.696 65.064 98.948 1.00737.35 O ATOM 26205 C3* U 01276 192.477 66.724 100.090 1.00737.35 C ATOM 26206 O3* U 01276 192.225 68.126 100.079 1.00737.35 O ATOM 26207 C2* U 01276 191.507 65.969 99.187 1.00737.35 C ATOM 26208 O2* U 01276 191.188 66.676 98.005 1.00737.35 O ATOM 26209 C1* U 01276 192.323 64.719 98.838 1.00737.35 C ATOM 26210 N1 U 01276 192.060 63.573 99.723 1.00737.35 N ATOM 26211 C2 U 01276 191.025 62.707 99.384 1.00737.35 C ATOM 26212 O2 U 01276 190.334 62.849 98.388 1.00737.35 O ATOM 26213 N3 U 01276 190.835 61.667 100.260 1.00737.35 N ATOM 26214 C4 U 01276 191.550 61.401 101.409 1.00737.35 C ATOM 26215 O4 U 01276 191.258 60.420 102.092 1.00737.35 O ATOM 26216 C5 U 01276 192.597 62.335 101.689 1.00737.35 C ATOM 26217 C6 U 01276 192.810 63.360 100.860 1.00737.35 C ATOM 26218 P G 01277 191.574 68.834 101.367 1.00737.35 P ATOM 26219 O1P G 01277 191.502 70.286 101.064 1.00737.35 O ATOM 26220 O2P G 01277 192.295 68.374 102.583 1.00737.35 O ATOM 26221 O5* G 01277 190.089 68.257 101.417 1.00737.35 O ATOM 26222 C5* G 01277 189.094 68.717 100.504 1.00737.35 C ATOM 26223 C4* G 01277 187.810 67.939 100.687 1.00737.35 C ATOM 26224 O4* G 01277 188.032 66.550 100.337 1.00737.35 O ATOM 26225 C3* G 01277 187.263 67.888 102.107 1.00737.35 C ATOM 26226 O3* G 01277 186.485 69.046 102.391 1.00737.35 O ATOM 26227 C2* G 01277 186.406 66.627 102.073 1.00737.35 C ATOM 26228 O2* G 01277 185.127 66.841 101.510 1.00737.35 O ATOM 26229 C1* G 01277 187.231 65.717 101.159 1.00737.35 C ATOM 26230 N9 G 01277 188.104 64.798 101.884 1.00737.35 N ATOM 26231 C8 G 01277 189.417 65.002 102.242 1.00737.35 C ATOM 26232 N7 G 01277 189.933 63.994 102.893 1.00737.35 N ATOM 26233 C5 G 01277 188.901 63.070 102.971 1.00737.35 C ATOM 26234 C6 G 01277 188.863 61.782 103.566 1.00737.35 C ATOM 26235 O6 G 01277 189.763 61.182 104.164 1.00737.35 O ATOM 26236 N1 G 01277 187.618 61.184 103.413 1.00737.35 N ATOM 26237 C2 G 01277 186.543 61.750 102.773 1.00737.35 C ATOM 26238 N2 G 01277 185.426 61.012 102.731 1.00737.35 N ATOM 26239 N3 G 01277 186.564 62.948 102.215 1.00737.35 N ATOM 26240 C4 G 01277 187.766 63.549 102.351 1.00737.35 C ATOM 26241 P A 01278 186.390 69.595 103.900 1.00737.35 P ATOM 26242 O1P A 01278 186.002 68.455 104.769 1.00737.35 O ATOM 26243 O2P A 01278 185.550 70.819 103.883 1.00737.35 O ATOM 26244 O5* A 01278 187.886 70.008 104.266 1.00737.35 O ATOM 26245 C5* A 01278 188.142 71.075 105.177 1.00737.35 C ATOM 26246 C4* A 01278 189.344 70.763 106.041 1.00737.35 C ATOM 26247 O4* A 01278 189.098 69.539 106.780 1.00737.35 O ATOM 26248 C3* A 01278 190.664 70.520 105.328 1.00737.35 C ATOM 26249 O3* A 01278 191.273 71.759 104.907 1.00737.35 O ATOM 26250 C2* A 01278 191.444 69.648 106.317 1.00737.35 C ATOM 26251 O2* A 01278 192.181 70.323 107.312 1.00737.35 O ATOM 26252 C1* A 01278 190.321 68.858 106.998 1.00737.35 C ATOM 26253 N9 A 01278 190.187 67.477 106.537 1.00737.35 N ATOM 26254 C8 A 01278 189.495 66.994 105.453 1.00737.35 C ATOM 26255 N7 A 01278 189.572 65.694 105.316 1.00737.35 N ATOM 26256 C5 A 01278 190.367 65.291 106.381 1.00737.35 C ATOM 26257 C6 A 01278 190.824 64.028 106.798 1.00737.35 C ATOM 26258 N6 A 01278 190.537 62.890 106.164 1.00737.35 N ATOM 26259 N1 A 01278 191.602 63.975 107.902 1.00737.35 N ATOM 26260 C2 A 01278 191.893 65.115 108.536 1.00737.35 C ATOM 26261 N3 A 01278 191.524 66.360 108.243 1.00737.35 N ATOM 26262 C4 A 01278 190.753 66.378 107.140 1.00737.35 C ATOM 26263 P G 01279 192.021 72.717 105.970 1.00737.35 P ATOM 26264 O1P G 01279 191.906 74.102 105.447 1.00737.35 O ATOM 26265 O2P G 01279 193.365 72.162 106.275 1.00737.35 O ATOM 26266 O5* G 01279 191.100 72.620 107.267 1.00737.35 O ATOM 26267 C5* G 01279 191.468 73.223 108.504 1.00737.35 C ATOM 26268 C4* G 01279 190.859 72.445 109.644 1.00737.35 C ATOM 26269 O4* G 01279 191.481 71.134 109.703 1.00737.35 O ATOM 26270 C3* G 01279 191.029 73.014 111.043 1.00737.35 C ATOM 26271 O3* G 01279 190.068 74.070 111.224 1.00737.35 O ATOM 26272 C2* G 01279 190.894 71.768 111.918 1.00737.35 C ATOM 26273 O2* G 01279 189.561 71.370 112.164 1.00737.35 O ATOM 26274 C1* G 01279 191.578 70.707 111.049 1.00737.35 C ATOM 26275 N9 G 01279 192.988 70.487 111.358 1.00737.35 N ATOM 26276 C8 G 01279 193.991 71.429 111.406 1.00737.35 C ATOM 26277 N7 G 01279 195.154 70.925 111.714 1.00737.35 N ATOM 26278 C5 G 01279 194.910 69.568 111.877 1.00737.35 C ATOM 26279 C6 G 01279 195.793 68.507 112.213 1.00737.35 C ATOM 26280 O6 G 01279 197.005 68.559 112.445 1.00737.35 O ATOM 26281 N1 G 01279 195.127 67.288 112.273 1.00737.35 N ATOM 26282 C2 G 01279 193.787 67.107 112.036 1.00737.35 C ATOM 26283 N2 G 01279 193.333 65.849 112.141 1.00737.35 N ATOM 26284 N3 G 01279 192.953 68.085 111.723 1.00737.35 N ATOM 26285 C4 G 01279 193.578 69.280 111.662 1.00737.35 C ATOM 26286 P U 01280 189.164 74.164 112.559 1.00737.35 P ATOM 26287 O1P U 01280 188.880 75.610 112.745 1.00737.35 O ATOM 26288 O2P U 01280 189.755 73.393 113.684 1.00737.35 O ATOM 26289 O5* U 01280 187.797 73.468 112.113 1.00737.35 O ATOM 26290 C5* U 01280 186.875 74.165 111.273 1.00737.35 C ATOM 26291 C4* U 01280 185.953 73.207 110.547 1.00737.35 C ATOM 26292 O4* U 01280 186.697 72.371 109.625 1.00737.35 O ATOM 26293 C3* U 01280 185.173 72.199 111.375 1.00737.35 C ATOM 26294 O3* U 01280 184.045 72.811 111.994 1.00737.35 O ATOM 26295 C2* U 01280 184.742 71.188 110.312 1.00737.35 C ATOM 26296 O2* U 01280 183.594 71.594 109.593 1.00737.35 O ATOM 26297 C1* U 01280 185.950 71.189 109.370 1.00737.35 C ATOM 26298 N1 U 01280 186.821 70.010 109.525 1.00737.35 N ATOM 26299 C2 U 01280 186.535 68.892 108.753 1.00737.35 C ATOM 26300 O2 U 01280 185.608 68.848 107.956 1.00737.35 O ATOM 26301 N3 U 01280 187.370 67.820 108.949 1.00737.35 N ATOM 26302 C4 U 01280 188.441 67.750 109.813 1.00737.35 C ATOM 26303 O4 U 01280 189.096 66.709 109.880 1.00737.35 O ATOM 26304 C5 U 01280 188.675 68.940 110.571 1.00737.35 C ATOM 26305 C6 U 01280 187.878 70.001 110.405 1.00737.35 C ATOM 26306 P A 01281 183.343 72.096 113.253 1.00737.35 P ATOM 26307 O1P A 01281 182.296 73.015 113.762 1.00737.35 O ATOM 26308 O2P A 01281 184.403 71.610 114.175 1.00737.35 O ATOM 26309 O5* A 01281 182.616 70.827 112.620 1.00737.35 O ATOM 26310 C5* A 01281 181.551 70.983 111.681 1.00737.35 C ATOM 26311 C4* A 01281 180.974 69.635 111.318 1.00737.35 C ATOM 26312 O4* A 01281 182.001 68.835 110.673 1.00737.35 O ATOM 26313 C3* A 01281 180.512 68.792 112.495 1.00737.35 C ATOM 26314 O3* A 01281 179.176 69.121 112.859 1.00737.35 O ATOM 26315 C2* A 01281 180.623 67.377 111.944 1.00737.35 C ATOM 26316 O2* A 01281 179.526 67.006 111.132 1.00737.35 O ATOM 26317 C1* A 01281 181.888 67.483 111.090 1.00737.35 C ATOM 26318 N9 A 01281 183.114 67.118 111.809 1.00737.35 N ATOM 26319 C8 A 01281 184.121 67.956 112.232 1.00737.35 C ATOM 26320 N7 A 01281 185.096 67.335 112.849 1.00737.35 N ATOM 26321 C5 A 01281 184.710 66.003 112.831 1.00737.35 C ATOM 26322 C6 A 01281 185.315 64.836 113.328 1.00737.35 C ATOM 26323 N6 A 01281 186.488 64.828 113.964 1.00737.35 N ATOM 26324 N1 A 01281 184.668 63.665 113.147 1.00737.35 N ATOM 26325 C2 A 01281 183.491 63.678 112.510 1.00737.35 C ATOM 26326 N3 A 01281 182.820 64.706 111.997 1.00737.35 N ATOM 26327 C4 A 01281 183.491 65.854 112.193 1.00737.35 C ATOM 26328 P A 01282 178.805 69.340 114.407 1.00737.35 P ATOM 26329 O1P A 01282 177.323 69.400 114.505 1.00737.35 O ATOM 26330 O2P A 01282 179.619 70.467 114.929 1.00737.35 O ATOM 26331 O5* A 01282 179.299 67.999 115.112 1.00737.35 O ATOM 26332 C5* A 01282 178.704 66.743 114.797 1.00737.35 C ATOM 26333 C4* A 01282 179.518 65.614 115.389 1.00737.35 C ATOM 26334 O4* A 01282 180.817 65.560 114.743 1.00737.35 O ATOM 26335 C3* A 01282 179.840 65.748 116.868 1.00737.35 C ATOM 26336 O3* A 01282 178.763 65.281 117.673 1.00737.35 O ATOM 26337 C2* A 01282 181.084 64.879 117.005 1.00737.35 C ATOM 26338 O2* A 01282 180.789 63.499 117.101 1.00737.35 O ATOM 26339 C1* A 01282 181.803 65.166 115.685 1.00737.35 C ATOM 26340 N9 A 01282 182.805 66.230 115.785 1.00737.35 N ATOM 26341 C8 A 01282 182.671 67.556 115.444 1.00737.35 C ATOM 26342 N7 A 01282 183.753 68.265 115.647 1.00737.35 N ATOM 26343 C5 A 01282 184.661 67.349 116.157 1.00737.35 C ATOM 26344 C6 A 01282 185.999 67.478 116.575 1.00737.35 C ATOM 26345 N6 A 01282 186.680 68.625 116.543 1.00737.35 N ATOM 26346 N1 A 01282 186.622 66.368 117.034 1.00737.35 N ATOM 26347 C2 A 01282 185.940 65.217 117.065 1.00737.35 C ATOM 26348 N3 A 01282 184.683 64.970 116.700 1.00737.35 N ATOM 26349 C4 A 01282 184.092 66.092 116.250 1.00737.35 C ATOM 26350 P C 01283 178.536 65.904 119.136 1.00737.35 P ATOM 26351 O1P C 01283 177.347 65.231 119.722 1.00737.35 O ATOM 26352 O2P C 01283 178.559 67.386 119.030 1.00737.35 O ATOM 26353 O5* C 01283 179.825 65.441 119.950 1.00737.35 O ATOM 26354 C5* C 01283 180.078 64.059 120.190 1.00737.35 C ATOM 26355 C4* C 01283 181.410 63.879 120.886 1.00737.35 C ATOM 26356 O4* C 01283 182.480 64.302 120.004 1.00737.35 O ATOM 26357 C3* C 01283 181.622 64.712 122.137 1.00737.35 C ATOM 26358 O3* C 01283 181.018 64.098 123.272 1.00737.35 O ATOM 26359 C2* C 01283 183.143 64.728 122.254 1.00737.35 C ATOM 26360 O2* C 01283 183.671 63.564 122.861 1.00737.35 O ATOM 26361 C1* C 01283 183.570 64.770 120.783 1.00737.35 C ATOM 26362 N1 C 01283 183.965 66.113 120.313 1.00737.35 N ATOM 26363 C2 C 01283 185.327 66.455 120.331 1.00737.35 C ATOM 26364 O2 C 01283 186.154 65.619 120.727 1.00737.35 O ATOM 26365 N3 C 01283 185.703 67.685 119.915 1.00737.35 N ATOM 26366 C4 C 01283 184.789 68.560 119.494 1.00737.35 C ATOM 26367 N4 C 01283 185.216 69.764 119.102 1.00737.35 N ATOM 26368 C5 C 01283 183.399 68.239 119.460 1.00737.35 C ATOM 26369 C6 C 01283 183.035 67.016 119.871 1.00737.35 C ATOM 26370 P G 01284 179.535 64.531 123.722 1.00737.35 P ATOM 26371 O1P G 01284 179.292 65.919 123.243 1.00737.35 O ATOM 26372 O2P G 01284 179.382 64.219 125.164 1.00737.35 O ATOM 26373 O5* G 01284 178.594 63.540 122.900 1.00737.35 O ATOM 26374 C5* G 01284 177.268 63.913 122.532 1.00737.35 C ATOM 26375 C4* G 01284 176.457 62.684 122.188 1.00737.35 C ATOM 26376 O4* G 01284 177.124 61.961 121.118 1.00737.35 O ATOM 26377 C3* G 01284 176.320 61.659 123.305 1.00737.35 C ATOM 26378 O3* G 01284 175.224 61.989 124.152 1.00737.35 O ATOM 26379 C2* G 01284 176.068 60.369 122.534 1.00737.35 C ATOM 26380 O2* G 01284 174.728 60.226 122.109 1.00737.35 O ATOM 26381 C1* G 01284 176.977 60.564 121.318 1.00737.35 C ATOM 26382 N9 G 01284 178.306 59.978 121.481 1.00737.35 N ATOM 26383 C8 G 01284 179.413 60.572 122.040 1.00737.35 C ATOM 26384 N7 G 01284 180.463 59.794 122.048 1.00737.35 N ATOM 26385 C5 G 01284 180.023 58.617 121.458 1.00737.35 C ATOM 26386 C6 G 01284 180.719 57.409 121.193 1.00737.35 C ATOM 26387 O6 G 01284 181.899 57.129 121.432 1.00737.35 O ATOM 26388 N1 G 01284 179.895 56.468 120.585 1.00737.35 N ATOM 26389 C2 G 01284 178.571 56.663 120.269 1.00737.35 C ATOM 26390 N2 G 01284 177.944 55.633 119.684 1.00737.35 N ATOM 26391 N3 G 01284 177.911 57.785 120.511 1.00737.35 N ATOM 26392 C4 G 01284 178.695 58.712 121.105 1.00737.35 C ATOM 26393 P A 01285 175.387 61.884 125.747 1.00737.35 P ATOM 26394 O1P A 01285 176.538 62.739 126.138 1.00737.35 O ATOM 26395 O2P A 01285 175.381 60.448 126.124 1.00737.35 O ATOM 26396 O5* A 01285 174.061 62.565 126.310 1.00737.35 O ATOM 26397 C5* A 01285 172.795 61.915 126.201 1.00737.35 C ATOM 26398 C4* A 01285 171.865 62.727 125.329 1.00737.35 C ATOM 26399 O4* A 01285 170.582 62.052 125.245 1.00737.35 O ATOM 26400 C3* A 01285 171.526 64.117 125.846 1.00737.35 C ATOM 26401 O3* A 01285 172.521 65.054 125.445 1.00737.35 O ATOM 26402 C2* A 01285 170.190 64.396 125.168 1.00737.35 C ATOM 26403 O2* A 01285 170.328 64.825 123.827 1.00737.35 O ATOM 26404 C1* A 01285 169.539 63.011 125.196 1.00737.35 C ATOM 26405 N9 A 01285 168.659 62.801 126.348 1.00737.35 N ATOM 26406 C8 A 01285 168.995 62.334 127.596 1.00737.35 C ATOM 26407 N7 A 01285 167.979 62.258 128.423 1.00737.35 N ATOM 26408 C5 A 01285 166.902 62.704 127.671 1.00737.35 C ATOM 26409 C6 A 01285 165.539 62.865 127.974 1.00737.35 C ATOM 26410 N6 A 01285 165.007 62.579 129.163 1.00737.35 N ATOM 26411 N1 A 01285 164.731 63.334 127.000 1.00737.35 N ATOM 26412 C2 A 01285 165.265 63.619 125.805 1.00737.35 C ATOM 26413 N3 A 01285 166.529 63.512 125.400 1.00737.35 N ATOM 26414 C4 A 01285 167.307 63.043 126.392 1.00737.35 C ATOM 26415 P U 01286 173.271 65.948 126.550 1.00737.35 P ATOM 26416 O1P U 01286 174.213 66.839 125.826 1.00737.35 O ATOM 26417 O2P U 01286 173.786 65.048 127.613 1.00737.35 O ATOM 26418 O5* U 01286 172.118 66.854 127.174 1.00737.35 O ATOM 26419 C5* U 01286 172.384 67.713 128.281 1.00737.35 C ATOM 26420 C4* U 01286 171.263 68.712 128.457 1.00737.35 C ATOM 26421 O4* U 01286 171.181 69.552 127.276 1.00737.35 O ATOM 26422 C3* U 01286 169.866 68.126 128.599 1.00737.35 C ATOM 26423 O3* U 01286 169.607 67.759 129.952 1.00737.35 O ATOM 26424 C2* U 01286 168.984 69.287 128.152 1.00737.35 C ATOM 26425 O2* U 01286 168.775 70.250 129.167 1.00737.35 O ATOM 26426 C1* U 01286 169.827 69.897 127.029 1.00737.35 C ATOM 26427 N1 U 01286 169.456 69.420 125.684 1.00737.35 N ATOM 26428 C2 U 01286 168.509 70.144 124.975 1.00737.35 C ATOM 26429 O2 U 01286 167.978 71.155 125.410 1.00737.35 O ATOM 26430 N3 U 01286 168.205 69.645 123.734 1.00737.35 N ATOM 26431 C4 U 01286 168.738 68.520 123.137 1.00737.35 C ATOM 26432 O4 U 01286 168.359 68.197 122.009 1.00737.35 O ATOM 26433 C5 U 01286 169.709 67.828 123.927 1.00737.35 C ATOM 26434 C6 U 01286 170.028 68.288 125.140 1.00737.35 C ATOM 26435 P A 01287 168.594 66.550 130.270 1.00737.35 P ATOM 26436 O1P A 01287 169.141 65.327 129.627 1.00737.35 O ATOM 26437 O2P A 01287 167.215 66.996 129.941 1.00737.35 O ATOM 26438 O5* A 01287 168.702 66.364 131.848 1.00737.35 O ATOM 26439 C5* A 01287 168.347 67.420 132.742 1.00737.35 C ATOM 26440 C4* A 01287 169.155 67.322 134.014 1.00737.35 C ATOM 26441 O4* A 01287 168.864 66.059 134.670 1.00737.35 O ATOM 26442 C3* A 01287 170.664 67.309 133.829 1.00737.35 C ATOM 26443 O3* A 01287 171.185 68.633 133.748 1.00737.35 O ATOM 26444 C2* A 01287 171.139 66.598 135.089 1.00737.35 C ATOM 26445 O2* A 01287 171.193 67.445 136.220 1.00737.35 O ATOM 26446 C1* A 01287 170.039 65.552 135.279 1.00737.35 C ATOM 26447 N9 A 01287 170.358 64.258 134.667 1.00737.35 N ATOM 26448 C8 A 01287 169.893 63.743 133.479 1.00737.35 C ATOM 26449 N7 A 01287 170.368 62.555 133.197 1.00737.35 N ATOM 26450 C5 A 01287 171.200 62.265 134.268 1.00737.35 C ATOM 26451 C6 A 01287 172.002 61.149 134.570 1.00737.35 C ATOM 26452 N6 A 01287 172.097 60.072 133.785 1.00737.35 N ATOM 26453 N1 A 01287 172.709 61.176 135.719 1.00737.35 N ATOM 26454 C2 A 01287 172.614 62.255 136.506 1.00737.35 C ATOM 26455 N3 A 01287 171.896 63.363 136.332 1.00737.35 N ATOM 26456 C4 A 01287 171.203 63.305 135.181 1.00737.35 C ATOM 26457 P A 01288 172.001 69.088 132.440 1.00737.35 P ATOM 26458 O1P A 01288 171.008 69.604 131.465 1.00737.35 O ATOM 26459 O2P A 01288 172.918 67.990 132.039 1.00737.35 O ATOM 26460 O5* A 01288 172.877 70.322 132.938 1.00737.35 O ATOM 26461 C5* A 01288 174.002 70.125 133.790 1.00737.35 C ATOM 26462 C4* A 01288 174.836 71.383 133.847 1.00737.35 C ATOM 26463 O4* A 01288 174.011 72.479 134.325 1.00737.35 O ATOM 26464 C3* A 01288 176.017 71.351 134.805 1.00737.35 C ATOM 26465 O3* A 01288 177.154 70.757 134.182 1.00737.35 O ATOM 26466 C2* A 01288 176.232 72.833 135.091 1.00737.35 C ATOM 26467 O2* A 01288 176.943 73.501 134.067 1.00737.35 O ATOM 26468 C1* A 01288 174.792 73.348 135.129 1.00737.35 C ATOM 26469 N9 A 01288 174.216 73.381 136.476 1.00737.35 N ATOM 26470 C8 A 01288 173.263 72.547 137.015 1.00737.35 C ATOM 26471 N7 A 01288 172.947 72.835 138.251 1.00737.35 N ATOM 26472 C5 A 01288 173.740 73.933 138.552 1.00737.35 C ATOM 26473 C6 A 01288 173.875 74.715 139.712 1.00737.35 C ATOM 26474 N6 A 01288 173.181 74.499 140.832 1.00737.35 N ATOM 26475 N1 A 01288 174.755 75.737 139.684 1.00737.35 N ATOM 26476 C2 A 01288 175.451 75.953 138.562 1.00737.35 C ATOM 26477 N3 A 01288 175.413 75.291 137.408 1.00737.35 N ATOM 26478 C4 A 01288 174.527 74.279 137.468 1.00737.35 C ATOM 26479 P A 01289 178.216 69.926 135.067 1.00737.35 P ATOM 26480 O1P A 01289 179.130 69.237 134.120 1.00737.35 O ATOM 26481 O2P A 01289 177.472 69.130 136.077 1.00737.35 O ATOM 26482 O5* A 01289 179.055 71.041 135.835 1.00737.35 O ATOM 26483 C5* A 01289 179.408 72.264 135.192 1.00737.35 C ATOM 26484 C4* A 01289 179.605 73.361 136.212 1.00737.35 C ATOM 26485 O4* A 01289 178.493 73.330 137.152 1.00737.35 O ATOM 26486 C3* A 01289 180.833 73.242 137.100 1.00737.35 C ATOM 26487 O3* A 01289 181.984 73.779 136.452 1.00737.35 O ATOM 26488 C2* A 01289 180.424 74.067 138.312 1.00737.35 C ATOM 26489 O2* A 01289 180.514 75.461 138.095 1.00737.35 O ATOM 26490 C1* A 01289 178.953 73.671 138.452 1.00737.35 C ATOM 26491 N9 A 01289 178.765 72.520 139.338 1.00737.35 N ATOM 26492 C8 A 01289 178.458 71.222 139.002 1.00737.35 C ATOM 26493 N7 A 01289 178.378 70.414 140.031 1.00737.35 N ATOM 26494 C5 A 01289 178.647 71.233 141.119 1.00737.35 C ATOM 26495 C6 A 01289 178.722 70.980 142.500 1.00737.35 C ATOM 26496 N6 A 01289 178.526 69.777 143.048 1.00737.35 N ATOM 26497 N1 A 01289 179.007 72.020 143.315 1.00737.35 N ATOM 26498 C2 A 01289 179.210 73.224 142.767 1.00737.35 C ATOM 26499 N3 A 01289 179.172 73.587 141.490 1.00737.35 N ATOM 26500 C4 A 01289 178.881 72.532 140.708 1.00737.35 C ATOM 26501 P A 01290 183.455 73.412 136.995 1.00737.35 P ATOM 26502 O1P A 01290 184.429 73.906 135.989 1.00737.35 O ATOM 26503 O2P A 01290 183.473 71.979 137.391 1.00737.35 O ATOM 26504 O5* A 01290 183.613 74.295 138.311 1.00737.35 O ATOM 26505 C5* A 01290 183.398 75.705 138.272 1.00737.35 C ATOM 26506 C4* A 01290 183.417 76.284 139.669 1.00737.35 C ATOM 26507 O4* A 01290 182.394 75.641 140.476 1.00737.35 O ATOM 26508 C3* A 01290 184.694 76.076 140.464 1.00737.35 C ATOM 26509 O3* A 01290 185.665 77.059 140.118 1.00737.35 O ATOM 26510 C2* A 01290 184.207 76.234 141.900 1.00737.35 C ATOM 26511 O2* A 01290 184.069 77.585 142.295 1.00737.35 O ATOM 26512 C1* A 01290 182.825 75.576 141.827 1.00737.35 C ATOM 26513 N9 A 01290 182.825 74.176 142.256 1.00737.35 N ATOM 26514 C8 A 01290 182.951 73.046 141.484 1.00737.35 C ATOM 26515 N7 A 01290 182.918 71.930 142.170 1.00737.35 N ATOM 26516 C5 A 01290 182.755 72.349 143.483 1.00737.35 C ATOM 26517 C6 A 01290 182.650 71.643 144.697 1.00737.35 C ATOM 26518 N6 A 01290 182.692 70.312 144.788 1.00737.35 N ATOM 26519 N1 A 01290 182.497 72.363 145.830 1.00737.35 N ATOM 26520 C2 A 01290 182.457 73.698 145.741 1.00737.35 C ATOM 26521 N3 A 01290 182.546 74.474 144.662 1.00737.35 N ATOM 26522 C4 A 01290 182.696 73.730 143.552 1.00737.35 C ATOM 26523 P G 01291 187.221 76.787 140.419 1.00737.35 P ATOM 26524 O1P G 01291 187.991 77.892 139.788 1.00737.35 O ATOM 26525 O2P G 01291 187.534 75.379 140.065 1.00737.35 O ATOM 26526 O5* G 01291 187.333 76.940 142.001 1.00737.35 O ATOM 26527 C5* G 01291 187.110 78.199 142.632 1.00737.35 C ATOM 26528 C4* G 01291 187.190 78.058 144.134 1.00737.35 C ATOM 26529 O4* G 01291 186.108 77.210 144.602 1.00737.35 O ATOM 26530 C3* G 01291 188.448 77.389 144.665 1.00737.35 C ATOM 26531 O3* G 01291 189.513 78.328 144.781 1.00737.35 O ATOM 26532 C2* G 01291 187.989 76.869 146.021 1.00737.35 C ATOM 26533 O2* G 01291 187.990 77.861 147.028 1.00737.35 O ATOM 26534 C1* G 01291 186.549 76.445 145.713 1.00737.35 C ATOM 26535 N9 G 01291 186.413 75.027 145.385 1.00737.35 N ATOM 26536 C8 G 01291 186.440 74.456 144.134 1.00737.35 C ATOM 26537 N7 G 01291 186.288 73.159 144.160 1.00737.35 N ATOM 26538 C5 G 01291 186.155 72.853 145.508 1.00737.35 C ATOM 26539 C6 G 01291 185.964 71.603 146.152 1.00737.35 C ATOM 26540 O6 G 01291 185.870 70.479 145.644 1.00737.35 O ATOM 26541 N1 G 01291 185.881 71.749 147.532 1.00737.35 N ATOM 26542 C2 G 01291 185.970 72.940 148.209 1.00737.35 C ATOM 26543 N2 G 01291 185.869 72.870 149.544 1.00737.35 N ATOM 26544 N3 G 01291 186.148 74.112 147.622 1.00737.35 N ATOM 26545 C4 G 01291 186.230 73.995 146.277 1.00737.35 C ATOM 26546 P A 01292 191.035 77.827 144.658 1.00737.35 P ATOM 26547 O1P A 01292 191.913 79.025 144.605 1.00737.35 O ATOM 26548 O2P A 01292 191.099 76.824 143.565 1.00737.35 O ATOM 26549 O5* A 01292 191.301 77.072 146.036 1.00737.35 O ATOM 26550 C5* A 01292 191.349 77.789 147.267 1.00737.35 C ATOM 26551 C4* A 01292 191.416 76.832 148.435 1.00737.35 C ATOM 26552 O4* A 01292 190.198 76.045 148.488 1.00737.35 O ATOM 26553 C3* A 01292 192.529 75.797 148.383 1.00737.35 C ATOM 26554 O3* A 01292 193.758 76.335 148.862 1.00737.35 O ATOM 26555 C2* A 01292 191.988 74.701 149.294 1.00737.35 C ATOM 26556 O2* A 01292 192.182 74.973 150.667 1.00737.35 O ATOM 26557 C1* A 01292 190.494 74.741 148.966 1.00737.35 C ATOM 26558 N9 A 01292 190.095 73.768 147.944 1.00737.35 N ATOM 26559 C8 A 01292 189.921 73.971 146.596 1.00737.35 C ATOM 26560 N7 A 01292 189.561 72.894 145.941 1.00737.35 N ATOM 26561 C5 A 01292 189.493 71.915 146.923 1.00737.35 C ATOM 26562 C6 A 01292 189.165 70.547 146.873 1.00737.35 C ATOM 26563 N6 A 01292 188.832 69.903 145.752 1.00737.35 N ATOM 26564 N1 A 01292 189.195 69.855 148.033 1.00737.35 N ATOM 26565 C2 A 01292 189.530 70.498 149.156 1.00737.35 C ATOM 26566 N3 A 01292 189.857 71.777 149.330 1.00737.35 N ATOM 26567 C4 A 01292 189.819 72.438 148.162 1.00737.35 C ATOM 26568 P A 01293 195.151 75.684 148.397 1.00737.35 P ATOM 26569 O1P A 01293 196.254 76.535 148.912 1.00737.35 O ATOM 26570 O2P A 01293 195.061 75.406 146.939 1.00737.35 O ATOM 26571 O5* A 01293 195.194 74.286 149.161 1.00737.35 O ATOM 26572 C5* A 01293 195.278 74.233 150.584 1.00737.35 C ATOM 26573 C4* A 01293 195.093 72.813 151.072 1.00737.35 C ATOM 26574 O4* A 01293 193.763 72.350 150.716 1.00737.35 O ATOM 26575 C3* A 01293 196.024 71.774 150.468 1.00737.35 C ATOM 26576 O3* A 01293 197.274 71.744 151.149 1.00737.35 O ATOM 26577 C2* A 01293 195.236 70.485 150.665 1.00737.35 C ATOM 26578 O2* A 01293 195.348 69.959 151.973 1.00737.35 O ATOM 26579 C1* A 01293 193.804 70.963 150.420 1.00737.35 C ATOM 26580 N9 A 01293 193.356 70.767 149.038 1.00737.35 N ATOM 26581 C8 A 01293 193.205 71.711 148.049 1.00737.35 C ATOM 26582 N7 A 01293 192.785 71.219 146.909 1.00737.35 N ATOM 26583 C5 A 01293 192.649 69.860 147.160 1.00737.35 C ATOM 26584 C6 A 01293 192.238 68.784 146.355 1.00737.35 C ATOM 26585 N6 A 01293 191.873 68.914 145.078 1.00737.35 N ATOM 26586 N1 A 01293 192.218 67.555 146.913 1.00737.35 N ATOM 26587 C2 A 01293 192.582 67.425 148.194 1.00737.35 C ATOM 26588 N3 A 01293 192.985 68.358 149.053 1.00737.35 N ATOM 26589 C4 A 01293 192.995 69.568 148.469 1.00737.35 C ATOM 26590 P G 01294 198.580 71.186 150.397 1.00737.35 P ATOM 26591 O1P G 01294 199.744 71.349 151.307 1.00737.35 O ATOM 26592 O2P G 01294 198.620 71.797 149.043 1.00737.35 O ATOM 26593 O5* G 01294 198.289 69.629 150.225 1.00737.35 O ATOM 26594 C5* G 01294 198.215 68.766 151.360 1.00737.35 C ATOM 26595 C4* G 01294 198.073 67.328 150.922 1.00737.35 C ATOM 26596 O4* G 01294 196.810 67.154 150.227 1.00737.35 O ATOM 26597 C3* G 01294 199.117 66.830 149.935 1.00737.35 C ATOM 26598 O3* G 01294 200.302 66.413 150.603 1.00737.35 O ATOM 26599 C2* G 01294 198.396 65.664 149.265 1.00737.35 C ATOM 26600 O2* G 01294 198.429 64.477 150.033 1.00737.35 O ATOM 26601 C1* G 01294 196.963 66.195 149.192 1.00737.35 C ATOM 26602 N9 G 01294 196.646 66.833 147.916 1.00737.35 N ATOM 26603 C8 G 01294 196.679 68.177 147.626 1.00737.35 C ATOM 26604 N7 G 01294 196.346 68.443 146.392 1.00737.35 N ATOM 26605 C5 G 01294 196.076 67.202 145.832 1.00737.35 C ATOM 26606 C6 G 01294 195.667 66.857 144.518 1.00737.35 C ATOM 26607 O6 G 01294 195.455 67.604 143.557 1.00737.35 O ATOM 26608 N1 G 01294 195.505 65.482 144.377 1.00737.35 N ATOM 26609 C2 G 01294 195.710 64.556 145.370 1.00737.35 C ATOM 26610 N2 G 01294 195.500 63.271 145.035 1.00737.35 N ATOM 26611 N3 G 01294 196.093 64.864 146.600 1.00737.35 N ATOM 26612 C4 G 01294 196.255 66.196 146.759 1.00737.35 C ATOM 26613 P U 01295 201.725 66.562 149.873 1.00737.35 P ATOM 26614 O1P U 01295 202.773 66.039 150.787 1.00737.35 O ATOM 26615 O2P U 01295 201.825 67.952 149.363 1.00737.35 O ATOM 26616 O5* U 01295 201.618 65.583 148.619 1.00737.35 O ATOM 26617 C5* U 01295 201.511 64.173 148.797 1.00737.35 C ATOM 26618 C4* U 01295 201.208 63.498 147.477 1.00737.35 C ATOM 26619 O4* U 01295 199.913 63.940 146.995 1.00737.35 O ATOM 26620 C3* U 01295 202.161 63.813 146.337 1.00737.35 C ATOM 26621 O3* U 01295 203.317 62.983 146.390 1.00737.35 O ATOM 26622 C2* U 01295 201.303 63.521 145.111 1.00737.35 C ATOM 26623 O2* U 01295 201.237 62.144 144.794 1.00737.35 O ATOM 26624 C1* U 01295 199.930 64.013 145.577 1.00737.35 C ATOM 26625 N1 U 01295 199.633 65.397 145.170 1.00737.35 N ATOM 26626 C2 U 01295 198.993 65.590 143.953 1.00737.35 C ATOM 26627 O2 U 01295 198.665 64.672 143.217 1.00737.35 O ATOM 26628 N3 U 01295 198.752 66.903 143.628 1.00737.35 N ATOM 26629 C4 U 01295 199.074 68.018 144.375 1.00737.35 C ATOM 26630 O4 U 01295 198.785 69.136 143.945 1.00737.35 O ATOM 26631 C5 U 01295 199.727 67.737 145.616 1.00737.35 C ATOM 26632 C6 U 01295 199.978 66.471 145.964 1.00737.35 C ATOM 26633 P G 01296 204.726 63.543 145.854 1.00737.35 P ATOM 26634 O1P G 01296 205.739 62.484 146.090 1.00737.35 O ATOM 26635 O2P G 01296 204.941 64.901 146.421 1.00737.35 O ATOM 26636 O5* G 01296 204.508 63.689 144.281 1.00737.35 O ATOM 26637 C5* G 01296 204.377 62.538 143.449 1.00737.35 C ATOM 26638 C4* G 01296 204.078 62.949 142.026 1.00737.35 C ATOM 26639 O4* G 01296 202.786 63.609 141.976 1.00737.35 O ATOM 26640 C3* G 01296 205.036 63.955 141.408 1.00737.35 C ATOM 26641 O3* G 01296 206.192 63.309 140.881 1.00737.35 O ATOM 26642 C2* G 01296 204.183 64.583 140.313 1.00737.35 C ATOM 26643 O2* G 01296 204.115 63.795 139.139 1.00737.35 O ATOM 26644 C1* G 01296 202.809 64.627 140.986 1.00737.35 C ATOM 26645 N9 G 01296 202.520 65.905 141.629 1.00737.35 N ATOM 26646 C8 G 01296 202.855 66.292 142.906 1.00737.35 C ATOM 26647 N7 G 01296 202.464 67.502 143.196 1.00737.35 N ATOM 26648 C5 G 01296 201.829 67.945 142.043 1.00737.35 C ATOM 26649 C6 G 01296 201.201 69.186 141.758 1.00737.35 C ATOM 26650 O6 G 01296 201.077 70.173 142.492 1.00737.35 O ATOM 26651 N1 G 01296 200.686 69.212 140.465 1.00737.35 N ATOM 26652 C2 G 01296 200.764 68.181 139.562 1.00737.35 C ATOM 26653 N2 G 01296 200.205 68.404 138.364 1.00737.35 N ATOM 26654 N3 G 01296 201.347 67.022 139.816 1.00737.35 N ATOM 26655 C4 G 01296 201.855 66.972 141.067 1.00737.35 C ATOM 26656 P A 01297 207.572 64.124 140.757 1.00737.35 P ATOM 26657 O1P A 01297 208.588 63.188 140.206 1.00737.35 O ATOM 26658 O2P A 01297 207.834 64.812 142.047 1.00737.35 O ATOM 26659 O5* A 01297 207.267 65.227 139.649 1.00737.35 O ATOM 26660 C5* A 01297 208.195 66.275 139.379 1.00737.35 C ATOM 26661 C4* A 01297 207.990 66.808 137.978 1.00737.35 C ATOM 26662 O4* A 01297 208.267 65.750 137.022 1.00737.35 O ATOM 26663 C3* A 01297 206.577 67.262 137.644 1.00737.35 C ATOM 26664 O3* A 01297 206.360 68.608 138.056 1.00737.35 O ATOM 26665 C2* A 01297 206.543 67.121 136.126 1.00737.35 C ATOM 26666 O2* A 01297 207.145 68.208 135.453 1.00737.35 O ATOM 26667 C1* A 01297 207.380 65.857 135.921 1.00737.35 C ATOM 26668 N9 A 01297 206.582 64.630 135.847 1.00737.35 N ATOM 26669 C8 A 01297 206.400 63.675 136.819 1.00737.35 C ATOM 26670 N7 A 01297 205.628 62.684 136.449 1.00737.35 N ATOM 26671 C5 A 01297 205.274 63.004 135.146 1.00737.35 C ATOM 26672 C6 A 01297 204.466 62.352 134.198 1.00737.35 C ATOM 26673 N6 A 01297 203.845 61.194 134.428 1.00737.35 N ATOM 26674 N1 A 01297 204.316 62.939 132.990 1.00737.35 N ATOM 26675 C2 A 01297 204.942 64.101 132.763 1.00737.35 C ATOM 26676 N3 A 01297 205.726 64.810 133.571 1.00737.35 N ATOM 26677 C4 A 01297 205.854 64.199 134.763 1.00737.35 C ATOM 26678 P G 01298 204.873 69.100 138.431 1.00737.35 P ATOM 26679 O1P G 01298 204.969 70.533 138.814 1.00737.35 O ATOM 26680 O2P G 01298 204.281 68.125 139.382 1.00737.35 O ATOM 26681 O5* G 01298 204.073 69.002 137.056 1.00737.35 O ATOM 26682 C5* G 01298 204.443 69.802 135.933 1.00737.35 C ATOM 26683 C4* G 01298 203.589 69.454 134.735 1.00737.35 C ATOM 26684 O4* G 01298 203.801 68.060 134.386 1.00737.35 O ATOM 26685 C3* G 01298 202.085 69.564 134.939 1.00737.35 C ATOM 26686 O3* G 01298 201.645 70.901 134.722 1.00737.35 O ATOM 26687 C2* G 01298 201.543 68.613 133.878 1.00737.35 C ATOM 26688 O2* G 01298 201.494 69.189 132.587 1.00737.35 O ATOM 26689 C1* G 01298 202.593 67.497 133.906 1.00737.35 C ATOM 26690 N9 G 01298 202.232 66.373 134.769 1.00737.35 N ATOM 26691 C8 G 01298 202.258 66.336 136.143 1.00737.35 C ATOM 26692 N7 G 01298 201.878 65.187 136.632 1.00737.35 N ATOM 26693 C5 G 01298 201.584 64.417 135.515 1.00737.35 C ATOM 26694 C6 G 01298 201.126 63.076 135.416 1.00737.35 C ATOM 26695 O6 G 01298 200.879 62.278 136.327 1.00737.35 O ATOM 26696 N1 G 01298 200.959 62.691 134.091 1.00737.35 N ATOM 26697 C2 G 01298 201.201 63.489 132.998 1.00737.35 C ATOM 26698 N2 G 01298 200.982 62.929 131.800 1.00737.35 N ATOM 26699 N3 G 01298 201.628 64.738 133.076 1.00737.35 N ATOM 26700 C4 G 01298 201.797 65.134 134.355 1.00737.35 C ATOM 26701 P A 01299 200.475 71.519 135.638 1.00737.35 P ATOM 26702 O1P A 01299 200.280 72.926 135.205 1.00737.35 O ATOM 26703 O2P A 01299 200.784 71.224 137.059 1.00737.35 O ATOM 26704 O5* A 01299 199.179 70.692 135.224 1.00737.35 O ATOM 26705 C5* A 01299 197.896 71.035 135.745 1.00737.35 C ATOM 26706 C4* A 01299 196.828 70.170 135.121 1.00737.35 C ATOM 26707 O4* A 01299 197.125 68.773 135.383 1.00737.35 O ATOM 26708 C3* A 01299 195.427 70.371 135.679 1.00737.35 C ATOM 26709 O3* A 01299 194.776 71.456 135.025 1.00737.35 O ATOM 26710 C2* A 01299 194.759 69.035 135.373 1.00737.35 C ATOM 26711 O2* A 01299 194.301 68.937 134.039 1.00737.35 O ATOM 26712 C1* A 01299 195.917 68.058 135.593 1.00737.35 C ATOM 26713 N9 A 01299 195.955 67.477 136.937 1.00737.35 N ATOM 26714 C8 A 01299 196.438 68.045 138.092 1.00737.35 C ATOM 26715 N7 A 01299 196.337 67.274 139.144 1.00737.35 N ATOM 26716 C5 A 01299 195.747 66.116 138.654 1.00737.35 C ATOM 26717 C6 A 01299 195.373 64.911 139.272 1.00737.35 C ATOM 26718 N6 A 01299 195.547 64.662 140.572 1.00737.35 N ATOM 26719 N1 A 01299 194.807 63.958 138.502 1.00737.35 N ATOM 26720 C2 A 01299 194.633 64.211 137.198 1.00737.35 C ATOM 26721 N3 A 01299 194.943 65.302 136.501 1.00737.35 N ATOM 26722 C4 A 01299 195.503 66.229 137.297 1.00737.35 C ATOM 26723 P A 01300 194.068 72.609 135.895 1.00737.35 P ATOM 26724 O1P A 01300 193.894 73.799 135.021 1.00737.35 O ATOM 26725 O2P A 01300 194.814 72.745 137.175 1.00737.35 O ATOM 26726 O5* A 01300 192.624 72.023 136.221 1.00737.35 O ATOM 26727 C5* A 01300 191.771 72.666 137.167 1.00737.35 C ATOM 26728 C4* A 01300 190.321 72.502 136.772 1.00737.35 C ATOM 26729 O4* A 01300 190.089 73.170 135.504 1.00737.35 O ATOM 26730 C3* A 01300 189.854 71.074 136.534 1.00737.35 C ATOM 26731 O3* A 01300 189.486 70.443 137.757 1.00737.35 O ATOM 26732 C2* A 01300 188.653 71.276 135.616 1.00737.35 C ATOM 26733 O2* A 01300 187.477 71.635 136.312 1.00737.35 O ATOM 26734 C1* A 01300 189.123 72.449 134.753 1.00737.35 C ATOM 26735 N9 A 01300 189.732 72.035 133.487 1.00737.35 N ATOM 26736 C8 A 01300 191.066 71.960 133.168 1.00737.35 C ATOM 26737 N7 A 01300 191.296 71.550 131.944 1.00737.35 N ATOM 26738 C5 A 01300 190.027 71.341 131.419 1.00737.35 C ATOM 26739 C6 A 01300 189.588 70.900 130.159 1.00737.35 C ATOM 26740 N6 A 01300 190.408 70.579 129.156 1.00737.35 N ATOM 26741 N1 A 01300 188.254 70.800 129.959 1.00737.35 N ATOM 26742 C2 A 01300 187.432 71.120 130.966 1.00737.35 C ATOM 26743 N3 A 01300 187.724 71.545 132.192 1.00737.35 N ATOM 26744 C4 A 01300 189.055 71.633 132.357 1.00737.35 C ATOM 26745 P U 01301 189.783 68.879 137.965 1.00737.35 P ATOM 26746 O1P U 01301 189.303 68.494 139.319 1.00737.35 O ATOM 26747 O2P U 01301 191.200 68.639 137.597 1.00737.35 O ATOM 26748 O5* U 01301 188.866 68.163 136.872 1.00737.35 O ATOM 26749 C5* U 01301 187.569 67.671 137.204 1.00737.35 C ATOM 26750 C4* U 01301 187.160 66.583 136.239 1.00737.35 C ATOM 26751 O4* U 01301 186.967 67.152 134.916 1.00737.35 O ATOM 26752 C3* U 01301 188.189 65.484 136.024 1.00737.35 C ATOM 26753 O3* U 01301 188.129 64.497 137.047 1.00737.35 O ATOM 26754 C2* U 01301 187.792 64.939 134.660 1.00737.35 C ATOM 26755 O2* U 01301 186.687 64.059 134.708 1.00737.35 O ATOM 26756 C1* U 01301 187.403 66.228 133.930 1.00737.35 C ATOM 26757 N1 U 01301 188.520 66.827 133.180 1.00737.35 N ATOM 26758 C2 U 01301 188.764 66.359 131.897 1.00737.35 C ATOM 26759 O2 U 01301 188.096 65.486 131.369 1.00737.35 O ATOM 26760 N3 U 01301 189.823 66.953 131.256 1.00737.35 N ATOM 26761 C4 U 01301 190.647 67.944 131.751 1.00737.35 C ATOM 26762 O4 U 01301 191.564 68.375 131.049 1.00737.35 O ATOM 26763 C5 U 01301 190.333 68.372 133.078 1.00737.35 C ATOM 26764 C6 U 01301 189.307 67.818 133.729 1.00737.35 C ATOM 26765 P C 01302 189.376 64.322 138.045 1.00737.35 P ATOM 26766 O1P C 01302 189.464 65.553 138.866 1.00737.35 O ATOM 26767 O2P C 01302 190.547 63.899 137.230 1.00737.35 O ATOM 26768 O5* C 01302 188.962 63.115 139.002 1.00737.35 O ATOM 26769 C5* C 01302 189.181 61.758 138.620 1.00737.35 C ATOM 26770 C4* C 01302 190.074 61.067 139.630 1.00737.35 C ATOM 26771 O4* C 01302 191.391 61.677 139.602 1.00737.35 O ATOM 26772 C3* C 01302 189.631 61.173 141.081 1.00737.35 C ATOM 26773 O3* C 01302 188.693 60.150 141.401 1.00737.35 O ATOM 26774 C2* C 01302 190.944 61.003 141.838 1.00737.35 C ATOM 26775 O2* C 01302 191.333 59.651 141.979 1.00737.35 O ATOM 26776 C1* C 01302 191.926 61.730 140.917 1.00737.35 C ATOM 26777 N1 C 01302 192.156 63.147 141.275 1.00737.35 N ATOM 26778 C2 C 01302 193.096 63.457 142.274 1.00737.35 C ATOM 26779 O2 C 01302 193.711 62.539 142.845 1.00737.35 O ATOM 26780 N3 C 01302 193.312 64.757 142.591 1.00737.35 N ATOM 26781 C4 C 01302 192.635 65.721 141.963 1.00737.35 C ATOM 26782 N4 C 01302 192.886 66.986 142.307 1.00737.35 N ATOM 26783 C5 C 01302 191.674 65.433 140.954 1.00737.35 C ATOM 26784 C6 C 01302 191.466 64.148 140.645 1.00737.35 C ATOM 26785 P U 01303 187.598 60.400 142.550 1.00737.35 P ATOM 26786 O1P U 01303 186.731 59.197 142.633 1.00737.35 O ATOM 26787 O2P U 01303 186.982 61.731 142.303 1.00737.35 O ATOM 26788 O5* U 01303 188.457 60.495 143.889 1.00737.35 O ATOM 26789 C5* U 01303 189.112 59.346 144.425 1.00737.35 C ATOM 26790 C4* U 01303 189.975 59.737 145.602 1.00737.35 C ATOM 26791 O4* U 01303 191.042 60.612 145.144 1.00737.35 O ATOM 26792 C3* U 01303 189.277 60.528 146.696 1.00737.35 C ATOM 26793 O3* U 01303 188.611 59.662 147.612 1.00737.35 O ATOM 26794 C2* U 01303 190.435 61.274 147.347 1.00737.35 C ATOM 26795 O2* U 01303 191.167 60.481 148.260 1.00737.35 O ATOM 26796 C1* U 01303 191.304 61.602 146.128 1.00737.35 C ATOM 26797 N1 U 01303 191.026 62.927 145.548 1.00737.35 N ATOM 26798 C2 U 01303 191.730 64.016 146.045 1.00737.35 C ATOM 26799 O2 U 01303 192.563 63.922 146.934 1.00737.35 O ATOM 26800 N3 U 01303 191.421 65.219 145.459 1.00737.35 N ATOM 26801 C4 U 01303 190.503 65.444 144.452 1.00737.35 C ATOM 26802 O4 U 01303 190.346 66.587 144.021 1.00737.35 O ATOM 26803 C5 U 01303 189.820 64.275 143.994 1.00737.35 C ATOM 26804 C6 U 01303 190.096 63.089 144.542 1.00737.35 C ATOM 26805 P U 01304 187.268 60.158 148.344 1.00737.35 P ATOM 26806 O1P U 01304 186.768 59.023 149.162 1.00737.35 O ATOM 26807 O2P U 01304 186.378 60.773 147.326 1.00737.35 O ATOM 26808 O5* U 01304 187.769 61.307 149.327 1.00737.35 O ATOM 26809 C5* U 01304 188.488 60.991 150.517 1.00737.35 C ATOM 26810 C4* U 01304 188.827 62.251 151.280 1.00737.35 C ATOM 26811 O4* U 01304 189.756 63.055 150.507 1.00737.35 O ATOM 26812 C3* U 01304 187.665 63.192 151.560 1.00737.35 C ATOM 26813 O3* U 01304 186.928 62.785 152.707 1.00737.35 O ATOM 26814 C2* U 01304 188.376 64.522 151.775 1.00737.35 C ATOM 26815 O2* U 01304 188.920 64.659 153.074 1.00737.35 O ATOM 26816 C1* U 01304 189.507 64.433 150.746 1.00737.35 C ATOM 26817 N1 U 01304 189.182 65.086 149.466 1.00737.35 N ATOM 26818 C2 U 01304 189.446 66.444 149.345 1.00737.35 C ATOM 26819 O2 U 01304 189.937 67.111 150.245 1.00737.35 O ATOM 26820 N3 U 01304 189.114 66.995 148.133 1.00737.35 N ATOM 26821 C4 U 01304 188.558 66.347 147.049 1.00737.35 C ATOM 26822 O4 U 01304 188.307 66.986 146.026 1.00737.35 O ATOM 26823 C5 U 01304 188.319 64.950 147.247 1.00737.35 C ATOM 26824 C6 U 01304 188.631 64.383 148.416 1.00737.35 C ATOM 26825 P C 01305 185.390 63.225 152.864 1.00737.35 P ATOM 26826 O1P C 01305 184.863 62.557 154.081 1.00737.35 O ATOM 26827 O2P C 01305 184.704 63.019 151.562 1.00737.35 O ATOM 26828 O5* C 01305 185.466 64.792 153.145 1.00737.35 O ATOM 26829 C5* C 01305 186.028 65.288 154.357 1.00737.35 C ATOM 26830 C4* C 01305 186.124 66.796 154.317 1.00737.35 C ATOM 26831 O4* C 01305 187.047 67.199 153.271 1.00737.35 O ATOM 26832 C3* C 01305 184.842 67.544 153.982 1.00737.35 C ATOM 26833 O3* C 01305 184.016 67.696 155.132 1.00737.35 O ATOM 26834 C2* C 01305 185.379 68.884 153.486 1.00737.35 C ATOM 26835 O2* C 01305 185.734 69.764 154.533 1.00737.35 O ATOM 26836 C1* C 01305 186.635 68.446 152.728 1.00737.35 C ATOM 26837 N1 C 01305 186.416 68.292 151.275 1.00737.35 N ATOM 26838 C2 C 01305 186.524 69.425 150.451 1.00737.35 C ATOM 26839 O2 C 01305 186.809 70.522 150.962 1.00737.35 O ATOM 26840 N3 C 01305 186.318 69.296 149.120 1.00737.35 N ATOM 26841 C4 C 01305 186.015 68.104 148.604 1.00737.35 C ATOM 26842 N4 C 01305 185.816 68.027 147.285 1.00737.35 N ATOM 26843 C5 C 01305 185.900 66.935 149.414 1.00737.35 C ATOM 26844 C6 C 01305 186.107 67.073 150.732 1.00737.35 C ATOM 26845 P U 01306 182.435 67.928 154.949 1.00737.35 P ATOM 26846 O1P U 01306 181.839 67.995 156.308 1.00737.35 O ATOM 26847 O2P U 01306 181.919 66.937 153.971 1.00737.35 O ATOM 26848 O5* U 01306 182.337 69.377 154.290 1.00737.35 O ATOM 26849 C5* U 01306 182.752 70.535 155.007 1.00737.35 C ATOM 26850 C4* U 01306 182.546 71.780 154.174 1.00737.35 C ATOM 26851 O4* U 01306 183.418 71.747 153.014 1.00737.35 O ATOM 26852 C3* U 01306 181.157 71.965 153.583 1.00737.35 C ATOM 26853 O3* U 01306 180.262 72.529 154.536 1.00737.35 O ATOM 26854 C2* U 01306 181.429 72.915 152.420 1.00737.35 C ATOM 26855 O2* U 01306 181.520 74.269 152.818 1.00737.35 O ATOM 26856 C1* U 01306 182.796 72.424 151.930 1.00737.35 C ATOM 26857 N1 U 01306 182.722 71.516 150.774 1.00737.35 N ATOM 26858 C2 U 01306 182.697 72.086 149.505 1.00737.35 C ATOM 26859 O2 U 01306 182.733 73.292 149.315 1.00737.35 O ATOM 26860 N3 U 01306 182.626 71.189 148.468 1.00737.35 N ATOM 26861 C4 U 01306 182.581 69.815 148.558 1.00737.35 C ATOM 26862 O4 U 01306 182.519 69.142 147.527 1.00737.35 O ATOM 26863 C5 U 01306 182.611 69.302 149.895 1.00737.35 C ATOM 26864 C6 U 01306 182.679 70.146 150.929 1.00737.35 C ATOM 26865 P U 01307 178.681 72.294 154.377 1.00737.35 P ATOM 26866 O1P U 01307 178.010 73.036 155.476 1.00737.35 O ATOM 26867 O2P U 01307 178.434 70.836 154.218 1.00737.35 O ATOM 26868 O5* U 01307 178.331 73.022 153.004 1.00737.35 O ATOM 26869 C5* U 01307 177.149 72.696 152.275 1.00737.35 C ATOM 26870 C4* U 01307 176.968 73.661 151.127 1.00737.35 C ATOM 26871 O4* U 01307 178.167 73.664 150.308 1.00737.35 O ATOM 26872 C3* U 01307 175.851 73.324 150.154 1.00737.35 C ATOM 26873 O3* U 01307 174.596 73.803 150.629 1.00737.35 O ATOM 26874 C2* U 01307 176.298 74.054 148.892 1.00737.35 C ATOM 26875 O2* U 01307 175.990 75.434 148.906 1.00737.35 O ATOM 26876 C1* U 01307 177.816 73.861 148.949 1.00737.35 C ATOM 26877 N1 U 01307 178.291 72.710 148.163 1.00737.35 N ATOM 26878 C2 U 01307 178.640 72.930 146.839 1.00737.35 C ATOM 26879 O2 U 01307 178.580 74.029 146.307 1.00737.35 O ATOM 26880 N3 U 01307 179.065 71.813 146.156 1.00737.35 N ATOM 26881 C4 U 01307 179.178 70.531 146.649 1.00737.35 C ATOM 26882 O4 U 01307 179.549 69.624 145.899 1.00737.35 O ATOM 26883 C5 U 01307 178.808 70.384 148.023 1.00737.35 C ATOM 26884 C6 U 01307 178.389 71.449 148.716 1.00737.35 C ATOM 26885 P C 01308 173.246 73.024 150.238 1.00737.35 P ATOM 26886 O1P C 01308 172.116 73.749 150.877 1.00737.35 O ATOM 26887 O2P C 01308 173.438 71.577 150.515 1.00737.35 O ATOM 26888 O5* C 01308 173.132 73.217 148.660 1.00737.35 O ATOM 26889 C5* C 01308 172.970 74.515 148.090 1.00737.35 C ATOM 26890 C4* C 01308 173.212 74.471 146.599 1.00737.35 C ATOM 26891 O4* C 01308 174.581 74.056 146.344 1.00737.35 O ATOM 26892 C3* C 01308 172.371 73.473 145.820 1.00737.35 C ATOM 26893 O3* C 01308 171.090 74.006 145.498 1.00737.35 O ATOM 26894 C2* C 01308 173.220 73.242 144.576 1.00737.35 C ATOM 26895 O2* C 01308 173.090 74.275 143.620 1.00737.35 O ATOM 26896 C1* C 01308 174.629 73.258 145.171 1.00737.35 C ATOM 26897 N1 C 01308 175.119 71.909 145.531 1.00737.35 N ATOM 26898 C2 C 01308 175.710 71.115 144.533 1.00737.35 C ATOM 26899 O2 C 01308 175.814 71.567 143.381 1.00737.35 O ATOM 26900 N3 C 01308 176.150 69.877 144.851 1.00737.35 N ATOM 26901 C4 C 01308 176.022 69.423 146.100 1.00737.35 C ATOM 26902 N4 C 01308 176.469 68.194 146.369 1.00737.35 N ATOM 26903 C5 C 01308 175.429 70.209 147.131 1.00737.35 C ATOM 26904 C6 C 01308 174.996 71.432 146.807 1.00737.35 C ATOM 26905 P G 01309 169.862 73.010 145.210 1.00737.35 P ATOM 26906 O1P G 01309 168.673 73.852 144.924 1.00737.35 O ATOM 26907 O2P G 01309 169.803 72.005 146.302 1.00737.35 O ATOM 26908 O5* G 01309 170.281 72.262 143.867 1.00737.35 O ATOM 26909 C5* G 01309 170.355 72.966 142.629 1.00737.35 C ATOM 26910 C4* G 01309 170.670 72.016 141.496 1.00737.35 C ATOM 26911 O4* G 01309 172.007 71.477 141.664 1.00737.35 O ATOM 26912 C3* G 01309 169.786 70.784 141.392 1.00737.35 C ATOM 26913 O3* G 01309 168.572 71.081 140.714 1.00737.35 O ATOM 26914 C2* G 01309 170.665 69.822 140.600 1.00737.35 C ATOM 26915 O2* G 01309 170.627 70.059 139.205 1.00737.35 O ATOM 26916 C1* G 01309 172.056 70.156 141.143 1.00737.35 C ATOM 26917 N9 G 01309 172.511 69.249 142.195 1.00737.35 N ATOM 26918 C8 G 01309 172.641 69.525 143.537 1.00737.35 C ATOM 26919 N7 G 01309 173.081 68.508 144.229 1.00737.35 N ATOM 26920 C5 G 01309 173.251 67.499 143.291 1.00737.35 C ATOM 26921 C6 G 01309 173.705 66.163 143.449 1.00737.35 C ATOM 26922 O6 G 01309 174.062 65.586 144.485 1.00737.35 O ATOM 26923 N1 G 01309 173.720 65.481 142.236 1.00737.35 N ATOM 26924 C2 G 01309 173.349 66.012 141.026 1.00737.35 C ATOM 26925 N2 G 01309 173.432 65.194 139.967 1.00737.35 N ATOM 26926 N3 G 01309 172.928 67.258 140.865 1.00737.35 N ATOM 26927 C4 G 01309 172.900 67.938 142.031 1.00737.35 C ATOM 26928 P C 01310 167.268 70.177 140.979 1.00737.35 P ATOM 26929 O1P C 01310 166.143 70.795 140.230 1.00737.35 O ATOM 26930 O2P C 01310 167.139 69.946 142.441 1.00737.35 O ATOM 26931 O5* C 01310 167.623 68.786 140.285 1.00737.35 O ATOM 26932 C5* C 01310 167.702 68.674 138.864 1.00737.35 C ATOM 26933 C4* C 01310 167.943 67.237 138.462 1.00737.35 C ATOM 26934 O4* C 01310 169.256 66.815 138.914 1.00737.35 O ATOM 26935 C3* C 01310 166.992 66.215 139.063 1.00737.35 C ATOM 26936 O3* C 01310 165.780 66.140 138.321 1.00737.35 O ATOM 26937 C2* C 01310 167.806 64.928 138.972 1.00737.35 C ATOM 26938 O2* C 01310 167.769 64.337 137.687 1.00737.35 O ATOM 26939 C1* C 01310 169.220 65.440 139.267 1.00737.35 C ATOM 26940 N1 C 01310 169.615 65.301 140.683 1.00737.35 N ATOM 26941 C2 C 01310 170.191 64.092 141.111 1.00737.35 C ATOM 26942 O2 C 01310 170.354 63.172 140.290 1.00737.35 O ATOM 26943 N3 C 01310 170.556 63.956 142.406 1.00737.35 N ATOM 26944 C4 C 01310 170.368 64.964 143.263 1.00737.35 C ATOM 26945 N4 C 01310 170.743 64.785 144.531 1.00737.35 N ATOM 26946 C5 C 01310 169.787 66.201 142.855 1.00737.35 C ATOM 26947 C6 C 01310 169.430 66.325 141.571 1.00737.35 C ATOM 26948 P C 01311 164.431 65.645 139.043 1.00737.35 P ATOM 26949 O1P C 01311 163.319 65.829 138.074 1.00737.35 O ATOM 26950 O2P C 01311 164.349 66.279 140.384 1.00737.35 O ATOM 26951 O5* C 01311 164.661 64.081 139.245 1.00737.35 O ATOM 26952 C5* C 01311 164.745 63.204 138.124 1.00737.35 C ATOM 26953 C4* C 01311 165.071 61.798 138.576 1.00737.35 C ATOM 26954 O4* C 01311 166.396 61.772 139.168 1.00737.35 O ATOM 26955 C3* C 01311 164.172 61.219 139.657 1.00737.35 C ATOM 26956 O3* C 01311 162.980 60.681 139.094 1.00737.35 O ATOM 26957 C2* C 01311 165.055 60.131 140.259 1.00737.35 C ATOM 26958 O2* C 01311 165.056 58.937 139.500 1.00737.35 O ATOM 26959 C1* C 01311 166.438 60.785 140.188 1.00737.35 C ATOM 26960 N1 C 01311 166.865 61.416 141.455 1.00737.35 N ATOM 26961 C2 C 01311 167.525 60.629 142.413 1.00737.35 C ATOM 26962 O2 C 01311 167.736 59.428 142.172 1.00737.35 O ATOM 26963 N3 C 01311 167.919 61.196 143.576 1.00737.35 N ATOM 26964 C4 C 01311 167.678 62.489 143.802 1.00737.35 C ATOM 26965 N4 C 01311 168.087 63.004 144.965 1.00737.35 N ATOM 26966 C5 C 01311 167.009 63.311 142.850 1.00737.35 C ATOM 26967 C6 C 01311 166.624 62.739 141.700 1.00737.35 C ATOM 26968 P G 01312 161.590 60.817 139.892 1.00737.35 P ATOM 26969 O1P G 01312 160.562 60.072 139.121 1.00737.35 O ATOM 26970 O2P G 01312 161.372 62.253 140.205 1.00737.35 O ATOM 26971 O5* G 01312 161.853 60.044 141.259 1.00737.35 O ATOM 26972 C5* G 01312 162.035 58.628 141.278 1.00737.35 C ATOM 26973 C4* G 01312 162.302 58.152 142.686 1.00737.35 C ATOM 26974 O4* G 01312 163.562 58.704 143.150 1.00737.35 O ATOM 26975 C3* G 01312 161.285 58.588 143.730 1.00737.35 C ATOM 26976 O3* G 01312 160.180 57.687 143.763 1.00737.35 O ATOM 26977 C2* G 01312 162.098 58.528 145.020 1.00737.35 C ATOM 26978 O2* G 01312 162.187 57.224 145.560 1.00737.35 O ATOM 26979 C1* G 01312 163.479 58.979 144.537 1.00737.35 C ATOM 26980 N9 G 01312 163.747 60.400 144.741 1.00737.35 N ATOM 26981 C8 G 01312 163.282 61.451 143.986 1.00737.35 C ATOM 26982 N7 G 01312 163.695 62.612 144.414 1.00737.35 N ATOM 26983 C5 G 01312 164.480 62.313 145.518 1.00737.35 C ATOM 26984 C6 G 01312 165.195 63.170 146.396 1.00737.35 C ATOM 26985 O6 G 01312 165.280 64.404 146.369 1.00737.35 O ATOM 26986 N1 G 01312 165.857 62.450 147.385 1.00737.35 N ATOM 26987 C2 G 01312 165.837 61.083 147.514 1.00737.35 C ATOM 26988 N2 G 01312 166.542 60.576 148.536 1.00737.35 N ATOM 26989 N3 G 01312 165.174 60.274 146.706 1.00737.35 N ATOM 26990 C4 G 01312 164.521 60.952 145.735 1.00737.35 C ATOM 26991 P U 01313 158.747 58.148 143.193 1.00737.35 P ATOM 26992 O1P U 01313 158.905 59.460 142.513 1.00737.35 O ATOM 26993 O2P U 01313 157.751 58.003 144.284 1.00737.35 O ATOM 26994 O5* U 01313 158.415 57.057 142.078 1.00737.35 O ATOM 26995 C5* U 01313 159.394 56.685 141.111 1.00737.35 C ATOM 26996 C4* U 01313 159.452 55.182 140.971 1.00737.35 C ATOM 26997 O4* U 01313 159.641 54.593 142.286 1.00737.35 O ATOM 26998 C3* U 01313 158.203 54.507 140.424 1.00737.35 C ATOM 26999 O3* U 01313 158.113 54.648 138.995 1.00737.35 O ATOM 27000 C2* U 01313 158.286 53.100 141.018 1.00737.35 C ATOM 27001 O2* U 01313 159.131 52.192 140.341 1.00737.35 O ATOM 27002 C1* U 01313 158.900 53.387 142.389 1.00737.35 C ATOM 27003 N1 U 01313 157.920 53.523 143.483 1.00737.35 N ATOM 27004 C2 U 01313 157.407 52.361 144.044 1.00737.35 C ATOM 27005 O2 U 01313 157.712 51.243 143.659 1.00737.35 O ATOM 27006 N3 U 01313 156.517 52.557 145.070 1.00737.35 N ATOM 27007 C4 U 01313 156.092 53.765 145.584 1.00737.35 C ATOM 27008 O4 U 01313 155.294 53.775 146.521 1.00737.35 O ATOM 27009 C5 U 01313 156.658 54.914 144.951 1.00737.35 C ATOM 27010 C6 U 01313 157.530 54.760 143.949 1.00737.35 C ATOM 27011 P A 01314 158.962 53.691 138.010 1.00737.35 P ATOM 27012 O1P A 01314 159.100 54.431 136.728 1.00737.35 O ATOM 27013 O2P A 01314 158.356 52.335 138.007 1.00737.35 O ATOM 27014 O5* A 01314 160.400 53.622 138.698 1.00737.35 O ATOM 27015 C5* A 01314 161.594 53.501 137.925 1.00737.35 C ATOM 27016 C4* A 01314 162.305 54.835 137.864 1.00737.35 C ATOM 27017 O4* A 01314 162.275 55.459 139.171 1.00737.35 O ATOM 27018 C3* A 01314 163.782 54.802 137.502 1.00737.35 C ATOM 27019 O3* A 01314 163.974 54.734 136.092 1.00737.35 O ATOM 27020 C2* A 01314 164.280 56.128 138.072 1.00737.35 C ATOM 27021 O2* A 01314 164.028 57.227 137.219 1.00737.35 O ATOM 27022 C1* A 01314 163.436 56.257 139.346 1.00737.35 C ATOM 27023 N9 A 01314 164.125 55.831 140.568 1.00737.35 N ATOM 27024 C8 A 01314 165.358 56.253 141.003 1.00737.35 C ATOM 27025 N7 A 01314 165.729 55.725 142.143 1.00737.35 N ATOM 27026 C5 A 01314 164.671 54.897 142.486 1.00737.35 C ATOM 27027 C6 A 01314 164.451 54.053 143.590 1.00737.35 C ATOM 27028 N6 A 01314 165.322 53.905 144.592 1.00737.35 N ATOM 27029 N1 A 01314 163.296 53.359 143.630 1.00737.35 N ATOM 27030 C2 A 01314 162.423 53.510 142.625 1.00737.35 C ATOM 27031 N3 A 01314 162.513 54.271 141.538 1.00737.35 N ATOM 27032 C4 A 01314 163.675 54.948 141.525 1.00737.35 C ATOM 27033 P A 01315 165.103 53.757 135.488 1.00737.35 P ATOM 27034 O1P A 01315 165.094 53.934 134.013 1.00737.35 O ATOM 27035 O2P A 01315 164.904 52.404 136.066 1.00737.35 O ATOM 27036 O5* A 01315 166.475 54.343 136.048 1.00737.35 O ATOM 27037 C5* A 01315 167.663 53.552 136.042 1.00737.35 C ATOM 27038 C4* A 01315 168.852 54.383 136.476 1.00737.35 C ATOM 27039 O4* A 01315 169.080 55.437 135.504 1.00737.35 O ATOM 27040 C3* A 01315 168.698 55.110 137.802 1.00737.35 C ATOM 27041 O3* A 01315 169.045 54.266 138.896 1.00737.35 O ATOM 27042 C2* A 01315 169.672 56.273 137.651 1.00737.35 C ATOM 27043 O2* A 01315 171.014 55.910 137.915 1.00737.35 O ATOM 27044 C1* A 01315 169.510 56.615 136.167 1.00737.35 C ATOM 27045 N9 A 01315 168.536 57.677 135.906 1.00737.35 N ATOM 27046 C8 A 01315 167.312 57.570 135.287 1.00737.35 C ATOM 27047 N7 A 01315 166.667 58.706 135.193 1.00737.35 N ATOM 27048 C5 A 01315 167.515 59.625 135.791 1.00737.35 C ATOM 27049 C6 A 01315 167.406 61.008 136.010 1.00737.35 C ATOM 27050 N6 A 01315 166.354 61.739 135.635 1.00737.35 N ATOM 27051 N1 A 01315 168.430 61.627 136.636 1.00737.35 N ATOM 27052 C2 A 01315 169.487 60.896 137.014 1.00737.35 C ATOM 27053 N3 A 01315 169.708 59.592 136.863 1.00737.35 N ATOM 27054 C4 A 01315 168.671 59.005 136.236 1.00737.35 C ATOM 27055 P G 01316 168.187 54.329 140.253 1.00737.35 P ATOM 27056 O1P G 01316 166.866 53.715 139.968 1.00737.35 O ATOM 27057 O2P G 01316 168.254 55.722 140.772 1.00737.35 O ATOM 27058 O5* G 01316 168.968 53.372 141.260 1.00737.35 O ATOM 27059 C5* G 01316 169.905 53.898 142.198 1.00737.35 C ATOM 27060 C4* G 01316 169.827 53.137 143.503 1.00737.35 C ATOM 27061 O4* G 01316 168.475 53.235 144.029 1.00737.35 O ATOM 27062 C3* G 01316 170.089 51.642 143.418 1.00737.35 C ATOM 27063 O3* G 01316 171.485 51.364 143.464 1.00737.35 O ATOM 27064 C2* G 01316 169.359 51.118 144.650 1.00737.35 C ATOM 27065 O2* G 01316 170.092 51.291 145.847 1.00737.35 O ATOM 27066 C1* G 01316 168.119 52.016 144.666 1.00737.35 C ATOM 27067 N9 G 01316 166.982 51.437 143.956 1.00737.35 N ATOM 27068 C8 G 01316 166.661 51.598 142.629 1.00737.35 C ATOM 27069 N7 G 01316 165.585 50.945 142.278 1.00737.35 N ATOM 27070 C5 G 01316 165.168 50.316 143.441 1.00737.35 C ATOM 27071 C6 G 01316 164.057 49.465 143.679 1.00737.35 C ATOM 27072 O6 G 01316 163.190 49.086 142.879 1.00737.35 O ATOM 27073 N1 G 01316 164.008 49.047 145.004 1.00737.35 N ATOM 27074 C2 G 01316 164.910 49.398 145.978 1.00737.35 C ATOM 27075 N2 G 01316 164.690 48.888 147.197 1.00737.35 N ATOM 27076 N3 G 01316 165.950 50.188 145.769 1.00737.35 N ATOM 27077 C4 G 01316 166.018 50.608 144.488 1.00737.35 C ATOM 27078 P G 01317 172.040 49.971 142.884 1.00737.35 P ATOM 27079 O1P G 01317 173.523 50.042 142.910 1.00737.35 O ATOM 27080 O2P G 01317 171.346 49.681 141.602 1.00737.35 O ATOM 27081 O5* G 01317 171.573 48.890 143.957 1.00737.35 O ATOM 27082 C5* G 01317 172.093 48.907 145.285 1.00737.35 C ATOM 27083 C4* G 01317 171.313 47.963 146.173 1.00737.35 C ATOM 27084 O4* G 01317 169.930 48.403 146.247 1.00737.35 O ATOM 27085 C3* G 01317 171.218 46.522 145.696 1.00737.35 C ATOM 27086 O3* G 01317 172.369 45.774 146.068 1.00737.35 O ATOM 27087 C2* G 01317 169.965 46.030 146.413 1.00737.35 C ATOM 27088 O2* G 01317 170.202 45.673 147.762 1.00737.35 O ATOM 27089 C1* G 01317 169.074 47.274 146.351 1.00737.35 C ATOM 27090 N9 G 01317 168.161 47.267 145.212 1.00737.35 N ATOM 27091 C8 G 01317 168.257 48.010 144.058 1.00737.35 C ATOM 27092 N7 G 01317 167.287 47.781 143.217 1.00737.35 N ATOM 27093 C5 G 01317 166.499 46.828 143.852 1.00737.35 C ATOM 27094 C6 G 01317 165.305 46.190 143.426 1.00737.35 C ATOM 27095 O6 G 01317 164.683 46.343 142.368 1.00737.35 O ATOM 27096 N1 G 01317 164.840 45.289 144.379 1.00737.35 N ATOM 27097 C2 G 01317 165.442 45.035 145.586 1.00737.35 C ATOM 27098 N2 G 01317 164.838 44.131 146.369 1.00737.35 N ATOM 27099 N3 G 01317 166.553 45.623 145.996 1.00737.35 N ATOM 27100 C4 G 01317 167.023 46.503 145.085 1.00737.35 C ATOM 27101 P A 01318 172.736 44.428 145.267 1.00737.35 P ATOM 27102 O1P A 01318 174.015 43.918 145.824 1.00737.35 O ATOM 27103 O2P A 01318 172.631 44.701 143.811 1.00737.35 O ATOM 27104 O5* A 01318 171.573 43.413 145.666 1.00737.35 O ATOM 27105 C5* A 01318 171.503 42.854 146.977 1.00737.35 C ATOM 27106 C4* A 01318 170.420 41.801 147.047 1.00737.35 C ATOM 27107 O4* A 01318 169.120 42.424 146.875 1.00737.35 O ATOM 27108 C3* A 01318 170.464 40.731 145.968 1.00737.35 C ATOM 27109 O3* A 01318 171.380 39.694 146.307 1.00737.35 O ATOM 27110 C2* A 01318 169.022 40.237 145.942 1.00737.35 C ATOM 27111 O2* A 01318 168.737 39.308 146.970 1.00737.35 O ATOM 27112 C1* A 01318 168.252 41.534 146.187 1.00737.35 C ATOM 27113 N9 A 01318 167.794 42.187 144.957 1.00737.35 N ATOM 27114 C8 A 01318 168.267 43.341 144.381 1.00737.35 C ATOM 27115 N7 A 01318 167.647 43.677 143.276 1.00737.35 N ATOM 27116 C5 A 01318 166.700 42.675 143.110 1.00737.35 C ATOM 27117 C6 A 01318 165.723 42.452 142.123 1.00737.35 C ATOM 27118 N6 A 01318 165.529 43.261 141.079 1.00737.35 N ATOM 27119 N1 A 01318 164.942 41.357 142.247 1.00737.35 N ATOM 27120 C2 A 01318 165.137 40.549 143.298 1.00737.35 C ATOM 27121 N3 A 01318 166.019 40.652 144.290 1.00737.35 N ATOM 27122 C4 A 01318 166.780 41.751 144.135 1.00737.35 C ATOM 27123 P C 01319 172.146 38.899 145.137 1.00737.35 P ATOM 27124 O1P C 01319 173.183 38.053 145.780 1.00737.35 O ATOM 27125 O2P C 01319 172.541 39.877 144.093 1.00737.35 O ATOM 27126 O5* C 01319 171.024 37.941 144.528 1.00737.35 O ATOM 27127 C5* C 01319 170.454 36.892 145.313 1.00737.35 C ATOM 27128 C4* C 01319 169.327 36.220 144.559 1.00737.35 C ATOM 27129 O4* C 01319 168.269 37.182 144.314 1.00737.35 O ATOM 27130 C3* C 01319 169.666 35.681 143.180 1.00737.35 C ATOM 27131 O3* C 01319 170.263 34.390 143.265 1.00737.35 O ATOM 27132 C2* C 01319 168.297 35.628 142.510 1.00737.35 C ATOM 27133 O2* C 01319 167.547 34.484 142.867 1.00737.35 O ATOM 27134 C1* C 01319 167.631 36.885 143.080 1.00737.35 C ATOM 27135 N1 C 01319 167.730 38.058 142.191 1.00737.35 N ATOM 27136 C2 C 01319 166.731 38.262 141.224 1.00737.35 C ATOM 27137 O2 C 01319 165.788 37.457 141.147 1.00737.35 O ATOM 27138 N3 C 01319 166.817 39.331 140.400 1.00737.35 N ATOM 27139 C4 C 01319 167.844 40.177 140.509 1.00737.35 C ATOM 27140 N4 C 01319 167.890 41.216 139.671 1.00737.35 N ATOM 27141 C5 C 01319 168.870 39.998 141.482 1.00737.35 C ATOM 27142 C6 C 01319 168.775 38.937 142.293 1.00737.35 C ATOM 27143 P A 01320 171.255 33.889 142.101 1.00737.35 P ATOM 27144 O1P A 01320 171.805 32.576 142.528 1.00737.35 O ATOM 27145 O2P A 01320 172.184 34.998 141.765 1.00737.35 O ATOM 27146 O5* A 01320 170.295 33.649 140.853 1.00737.35 O ATOM 27147 C5* A 01320 169.388 32.548 140.824 1.00737.35 C ATOM 27148 C4* A 01320 168.610 32.539 139.527 1.00737.35 C ATOM 27149 O4* A 01320 167.780 33.726 139.455 1.00737.35 O ATOM 27150 C3* A 01320 169.442 32.583 138.253 1.00737.35 C ATOM 27151 O3* A 01320 169.876 31.279 137.878 1.00737.35 O ATOM 27152 C2* A 01320 168.459 33.168 137.245 1.00737.35 C ATOM 27153 O2* A 01320 167.556 32.210 136.729 1.00737.35 O ATOM 27154 C1* A 01320 167.705 34.180 138.111 1.00737.35 C ATOM 27155 N9 A 01320 168.256 35.534 138.045 1.00737.35 N ATOM 27156 C8 A 01320 168.935 36.221 139.023 1.00737.35 C ATOM 27157 N7 A 01320 169.310 37.424 138.662 1.00737.35 N ATOM 27158 C5 A 01320 168.848 37.540 137.357 1.00737.35 C ATOM 27159 C6 A 01320 168.927 38.581 136.415 1.00737.35 C ATOM 27160 N6 A 01320 169.524 39.751 136.653 1.00737.35 N ATOM 27161 N1 A 01320 168.363 38.375 135.207 1.00737.35 N ATOM 27162 C2 A 01320 167.764 37.203 134.969 1.00737.35 C ATOM 27163 N3 A 01320 167.624 36.149 135.772 1.00737.35 N ATOM 27164 C4 A 01320 168.196 36.386 136.966 1.00737.35 C ATOM 27165 P A 01321 171.257 31.098 137.073 1.00737.35 P ATOM 27166 O1P A 01321 171.492 29.639 136.922 1.00737.35 O ATOM 27167 O2P A 01321 172.293 31.945 137.717 1.00737.35 O ATOM 27168 O5* A 01321 170.946 31.704 135.630 1.00737.35 O ATOM 27169 C5* A 01321 170.050 31.049 134.735 1.00737.35 C ATOM 27170 C4* A 01321 169.927 31.828 133.446 1.00737.35 C ATOM 27171 O4* A 01321 169.356 33.134 133.729 1.00737.35 O ATOM 27172 C3* A 01321 171.232 32.139 132.728 1.00737.35 C ATOM 27173 O3* A 01321 171.640 31.054 131.900 1.00737.35 O ATOM 27174 C2* A 01321 170.861 33.367 131.904 1.00737.35 C ATOM 27175 O2* A 01321 170.167 33.050 130.712 1.00737.35 O ATOM 27176 C1* A 01321 169.930 34.104 132.867 1.00737.35 C ATOM 27177 N9 A 01321 170.628 35.097 133.688 1.00737.35 N ATOM 27178 C8 A 01321 171.277 34.902 134.884 1.00737.35 C ATOM 27179 N7 A 01321 171.817 35.990 135.375 1.00737.35 N ATOM 27180 C5 A 01321 171.504 36.970 134.442 1.00737.35 C ATOM 27181 C6 A 01321 171.792 38.343 134.382 1.00737.35 C ATOM 27182 N6 A 01321 172.488 38.997 135.315 1.00737.35 N ATOM 27183 N1 A 01321 171.332 39.036 133.317 1.00737.35 N ATOM 27184 C2 A 01321 170.635 38.379 132.380 1.00737.35 C ATOM 27185 N3 A 01321 170.301 37.091 132.324 1.00737.35 N ATOM 27186 C4 A 01321 170.772 36.433 133.399 1.00737.35 C ATOM 27187 P G 01322 173.207 30.735 131.721 1.00737.35 P ATOM 27188 O1P G 01322 173.329 29.720 130.643 1.00737.35 O ATOM 27189 O2P G 01322 173.781 30.451 133.063 1.00737.35 O ATOM 27190 O5* G 01322 173.828 32.104 131.193 1.00737.35 O ATOM 27191 C5* G 01322 173.468 32.631 129.916 1.00737.35 C ATOM 27192 C4* G 01322 174.097 33.991 129.712 1.00737.35 C ATOM 27193 O4* G 01322 173.580 34.916 130.706 1.00737.35 O ATOM 27194 C3* G 01322 175.607 34.053 129.885 1.00737.35 C ATOM 27195 O3* G 01322 176.269 33.686 128.678 1.00737.35 O ATOM 27196 C2* G 01322 175.833 35.518 130.238 1.00737.35 C ATOM 27197 O2* G 01322 175.845 36.369 129.106 1.00737.35 O ATOM 27198 C1* G 01322 174.602 35.819 131.098 1.00737.35 C ATOM 27199 N9 G 01322 174.832 35.659 132.531 1.00737.35 N ATOM 27200 C8 G 01322 174.612 34.531 133.286 1.00737.35 C ATOM 27201 N7 G 01322 174.908 34.692 134.548 1.00737.35 N ATOM 27202 C5 G 01322 175.351 36.004 134.633 1.00737.35 C ATOM 27203 C6 G 01322 175.806 36.748 135.752 1.00737.35 C ATOM 27204 O6 G 01322 175.908 36.383 136.928 1.00737.35 O ATOM 27205 N1 G 01322 176.160 38.042 135.395 1.00737.35 N ATOM 27206 C2 G 01322 176.088 38.560 134.127 1.00737.35 C ATOM 27207 N2 G 01322 176.481 39.835 133.990 1.00737.35 N ATOM 27208 N3 G 01322 175.664 37.880 133.074 1.00737.35 N ATOM 27209 C4 G 01322 175.314 36.617 133.399 1.00737.35 C ATOM 27210 P G 01323 177.737 33.029 128.740 1.00737.35 P ATOM 27211 O1P G 01323 178.058 32.547 127.372 1.00737.35 O ATOM 27212 O2P G 01323 177.787 32.082 129.881 1.00737.35 O ATOM 27213 O5* G 01323 178.694 34.261 129.075 1.00737.35 O ATOM 27214 C5* G 01323 178.936 35.287 128.114 1.00737.35 C ATOM 27215 C4* G 01323 179.965 36.265 128.635 1.00737.35 C ATOM 27216 O4* G 01323 179.435 36.934 129.809 1.00737.35 O ATOM 27217 C3* G 01323 181.275 35.647 129.105 1.00737.35 C ATOM 27218 O3* G 01323 182.174 35.468 128.015 1.00737.35 O ATOM 27219 C2* G 01323 181.787 36.693 130.092 1.00737.35 C ATOM 27220 O2* G 01323 182.438 37.778 129.462 1.00737.35 O ATOM 27221 C1* G 01323 180.481 37.176 130.735 1.00737.35 C ATOM 27222 N9 G 01323 180.154 36.501 131.989 1.00737.35 N ATOM 27223 C8 G 01323 179.780 35.187 132.149 1.00737.35 C ATOM 27224 N7 G 01323 179.543 34.868 133.394 1.00737.35 N ATOM 27225 C5 G 01323 179.776 36.041 134.098 1.00737.35 C ATOM 27226 C6 G 01323 179.680 36.311 135.488 1.00737.35 C ATOM 27227 O6 G 01323 179.361 35.543 136.403 1.00737.35 O ATOM 27228 N1 G 01323 180.000 37.634 135.776 1.00737.35 N ATOM 27229 C2 G 01323 180.366 38.578 134.850 1.00737.35 C ATOM 27230 N2 G 01323 180.635 39.804 135.330 1.00737.35 N ATOM 27231 N3 G 01323 180.460 38.341 133.551 1.00737.35 N ATOM 27232 C4 G 01323 180.152 37.059 133.247 1.00737.35 C ATOM 27233 P G 01324 182.554 33.982 127.529 1.00737.35 P ATOM 27234 O1P G 01324 183.812 34.082 126.746 1.00737.35 O ATOM 27235 O2P G 01324 181.350 33.380 126.900 1.00737.35 O ATOM 27236 O5* G 01324 182.854 33.191 128.879 1.00737.35 O ATOM 27237 C5* G 01324 184.116 33.295 129.533 1.00737.35 C ATOM 27238 C4* G 01324 183.968 34.067 130.822 1.00737.35 C ATOM 27239 O4* G 01324 182.888 33.501 131.605 1.00737.35 O ATOM 27240 C3* G 01324 185.168 34.038 131.756 1.00737.35 C ATOM 27241 O3* G 01324 186.122 35.026 131.370 1.00737.35 O ATOM 27242 C2* G 01324 184.530 34.344 133.108 1.00737.35 C ATOM 27243 O2* G 01324 184.302 35.724 133.315 1.00737.35 O ATOM 27244 C1* G 01324 183.185 33.622 132.986 1.00737.35 C ATOM 27245 N9 G 01324 183.154 32.284 133.578 1.00737.35 N ATOM 27246 C8 G 01324 183.955 31.213 133.260 1.00737.35 C ATOM 27247 N7 G 01324 183.682 30.146 133.960 1.00737.35 N ATOM 27248 C5 G 01324 182.638 30.533 134.788 1.00737.35 C ATOM 27249 C6 G 01324 181.922 29.800 135.768 1.00737.35 C ATOM 27250 O6 G 01324 182.067 28.620 136.111 1.00737.35 O ATOM 27251 N1 G 01324 180.941 30.578 136.376 1.00737.35 N ATOM 27252 C2 G 01324 180.683 31.896 136.082 1.00737.35 C ATOM 27253 N2 G 01324 179.696 32.475 136.779 1.00737.35 N ATOM 27254 N3 G 01324 181.346 32.591 135.172 1.00737.35 N ATOM 27255 C4 G 01324 182.302 31.854 134.569 1.00737.35 C ATOM 27256 P U 01325 187.652 34.909 131.865 1.00737.35 P ATOM 27257 O1P U 01325 188.507 35.373 130.743 1.00737.35 O ATOM 27258 O2P U 01325 187.878 33.561 132.450 1.00737.35 O ATOM 27259 O5* U 01325 187.759 35.981 133.039 1.00737.35 O ATOM 27260 C5* U 01325 186.959 37.162 133.022 1.00737.35 C ATOM 27261 C4* U 01325 186.713 37.655 134.428 1.00737.35 C ATOM 27262 O4* U 01325 186.192 36.564 135.231 1.00737.35 O ATOM 27263 C3* U 01325 187.931 38.148 135.194 1.00737.35 C ATOM 27264 O3* U 01325 188.155 39.520 134.866 1.00737.35 O ATOM 27265 C2* U 01325 187.504 37.961 136.650 1.00737.35 C ATOM 27266 O2* U 01325 186.735 39.030 137.159 1.00737.35 O ATOM 27267 C1* U 01325 186.648 36.693 136.568 1.00737.35 C ATOM 27268 N1 U 01325 187.359 35.463 136.948 1.00737.35 N ATOM 27269 C2 U 01325 187.318 35.073 138.279 1.00737.35 C ATOM 27270 O2 U 01325 186.723 35.703 139.139 1.00737.35 O ATOM 27271 N3 U 01325 187.996 33.914 138.565 1.00737.35 N ATOM 27272 C4 U 01325 188.698 33.122 137.680 1.00737.35 C ATOM 27273 O4 U 01325 189.247 32.099 138.091 1.00737.35 O ATOM 27274 C5 U 01325 188.700 33.589 136.329 1.00737.35 C ATOM 27275 C6 U 01325 188.047 34.714 136.015 1.00737.35 C ATOM 27276 P U 01326 189.336 40.348 135.583 1.00737.35 P ATOM 27277 O1P U 01326 190.215 40.863 134.502 1.00737.35 O ATOM 27278 O2P U 01326 189.925 39.537 136.680 1.00737.35 O ATOM 27279 O5* U 01326 188.567 41.581 136.241 1.00737.35 O ATOM 27280 C5* U 01326 188.373 42.801 135.522 1.00737.35 C ATOM 27281 C4* U 01326 187.022 43.405 135.850 1.00737.35 C ATOM 27282 O4* U 01326 185.961 42.613 135.259 1.00737.35 O ATOM 27283 C3* U 01326 186.661 43.482 137.327 1.00737.35 C ATOM 27284 O3* U 01326 187.205 44.655 137.925 1.00737.35 O ATOM 27285 C2* U 01326 185.138 43.561 137.289 1.00737.35 C ATOM 27286 O2* U 01326 184.661 44.877 137.084 1.00737.35 O ATOM 27287 C1* U 01326 184.798 42.696 136.070 1.00737.35 C ATOM 27288 N1 U 01326 184.284 41.334 136.322 1.00737.35 N ATOM 27289 C2 U 01326 183.413 41.126 137.392 1.00737.35 C ATOM 27290 O2 U 01326 183.059 42.010 138.158 1.00737.35 O ATOM 27291 N3 U 01326 182.968 39.836 137.533 1.00737.35 N ATOM 27292 C4 U 01326 183.286 38.753 136.742 1.00737.35 C ATOM 27293 O4 U 01326 182.792 37.653 136.996 1.00737.35 O ATOM 27294 C5 U 01326 184.180 39.042 135.669 1.00737.35 C ATOM 27295 C6 U 01326 184.642 40.285 135.501 1.00737.35 C ATOM 27296 P C 01327 187.459 44.705 139.513 1.00737.35 P ATOM 27297 O1P C 01327 187.070 46.063 139.971 1.00737.35 O ATOM 27298 O2P C 01327 188.836 44.212 139.773 1.00737.35 O ATOM 27299 O5* C 01327 186.432 43.644 140.117 1.00737.35 O ATOM 27300 C5* C 01327 185.213 44.053 140.738 1.00737.35 C ATOM 27301 C4* C 01327 185.159 43.535 142.157 1.00737.35 C ATOM 27302 O4* C 01327 185.270 42.084 142.139 1.00737.35 O ATOM 27303 C3* C 01327 186.302 44.005 143.044 1.00737.35 C ATOM 27304 O3* C 01327 185.969 45.244 143.663 1.00737.35 O ATOM 27305 C2* C 01327 186.429 42.871 144.055 1.00737.35 C ATOM 27306 O2* C 01327 185.478 42.948 145.100 1.00737.35 O ATOM 27307 C1* C 01327 186.135 41.651 143.176 1.00737.35 C ATOM 27308 N1 C 01327 187.335 41.040 142.562 1.00737.35 N ATOM 27309 C2 C 01327 188.187 40.244 143.351 1.00737.35 C ATOM 27310 O2 C 01327 187.922 40.077 144.556 1.00737.35 O ATOM 27311 N3 C 01327 189.275 39.679 142.779 1.00737.35 N ATOM 27312 C4 C 01327 189.534 39.881 141.486 1.00737.35 C ATOM 27313 N4 C 01327 190.617 39.303 140.966 1.00737.35 N ATOM 27314 C5 C 01327 188.693 40.687 140.665 1.00737.35 C ATOM 27315 C6 C 01327 187.618 41.239 141.236 1.00737.35 C ATOM 27316 P C 01328 187.093 46.379 143.841 1.00737.35 P ATOM 27317 O1P C 01328 186.405 47.607 144.314 1.00737.35 O ATOM 27318 O2P C 01328 187.915 46.434 142.604 1.00737.35 O ATOM 27319 O5* C 01328 188.011 45.831 145.021 1.00737.35 O ATOM 27320 C5* C 01328 187.550 45.830 146.372 1.00737.35 C ATOM 27321 C4* C 01328 188.592 45.218 147.278 1.00737.35 C ATOM 27322 O4* C 01328 188.764 43.818 146.931 1.00737.35 O ATOM 27323 C3* C 01328 189.986 45.818 147.165 1.00737.35 C ATOM 27324 O3* C 01328 190.113 46.968 147.994 1.00737.35 O ATOM 27325 C2* C 01328 190.873 44.668 147.627 1.00737.35 C ATOM 27326 O2* C 01328 190.940 44.550 149.034 1.00737.35 O ATOM 27327 C1* C 01328 190.133 43.462 147.039 1.00737.35 C ATOM 27328 N1 C 01328 190.622 43.057 145.703 1.00737.35 N ATOM 27329 C2 C 01328 191.730 42.196 145.614 1.00737.35 C ATOM 27330 O2 C 01328 192.276 41.799 146.658 1.00737.35 O ATOM 27331 N3 C 01328 192.174 41.820 144.392 1.00737.35 N ATOM 27332 C4 C 01328 191.566 42.267 143.292 1.00737.35 C ATOM 27333 N4 C 01328 192.040 41.868 142.111 1.00737.35 N ATOM 27334 C5 C 01328 190.443 43.143 143.353 1.00737.35 C ATOM 27335 C6 C 01328 190.009 43.509 144.566 1.00737.35 C ATOM 27336 P U 01329 191.103 48.159 147.563 1.00737.35 P ATOM 27337 O1P U 01329 190.893 49.275 148.521 1.00737.35 O ATOM 27338 O2P U 01329 190.943 48.406 146.106 1.00737.35 O ATOM 27339 O5* U 01329 192.558 47.557 147.808 1.00737.35 O ATOM 27340 C5* U 01329 193.004 47.237 149.124 1.00737.35 C ATOM 27341 C4* U 01329 194.371 46.591 149.075 1.00737.35 C ATOM 27342 O4* U 01329 194.286 45.339 148.348 1.00737.35 O ATOM 27343 C3* U 01329 195.449 47.376 148.346 1.00737.35 C ATOM 27344 O3* U 01329 196.042 48.352 149.200 1.00737.35 O ATOM 27345 C2* U 01329 196.437 46.281 147.959 1.00737.35 C ATOM 27346 O2* U 01329 197.298 45.906 149.016 1.00737.35 O ATOM 27347 C1* U 01329 195.491 45.123 147.627 1.00737.35 C ATOM 27348 N1 U 01329 195.173 45.015 146.192 1.00737.35 N ATOM 27349 C2 U 01329 196.034 44.277 145.392 1.00737.35 C ATOM 27350 O2 U 01329 197.031 43.716 145.824 1.00737.35 O ATOM 27351 N3 U 01329 195.684 44.216 144.067 1.00737.35 N ATOM 27352 C4 U 01329 194.590 44.804 143.466 1.00737.35 C ATOM 27353 O4 U 01329 194.411 44.656 142.255 1.00737.35 O ATOM 27354 C5 U 01329 193.750 45.548 144.353 1.00737.35 C ATOM 27355 C6 U 01329 194.061 45.627 145.652 1.00737.35 C ATOM 27356 P G 01330 196.778 49.631 148.561 1.00737.35 P ATOM 27357 O1P G 01330 197.164 50.523 149.681 1.00737.35 O ATOM 27358 O2P G 01330 195.935 50.160 147.458 1.00737.35 O ATOM 27359 O5* G 01330 198.109 49.028 147.921 1.00737.35 O ATOM 27360 C5* G 01330 199.146 48.499 148.749 1.00737.35 C ATOM 27361 C4* G 01330 200.223 47.864 147.901 1.00737.35 C ATOM 27362 O4* G 01330 199.674 46.720 147.194 1.00737.35 O ATOM 27363 C3* G 01330 200.808 48.737 146.802 1.00737.35 C ATOM 27364 O3* G 01330 201.839 49.578 147.313 1.00737.35 O ATOM 27365 C2* G 01330 201.348 47.706 145.818 1.00737.35 C ATOM 27366 O2* G 01330 202.613 47.194 146.188 1.00737.35 O ATOM 27367 C1* G 01330 200.292 46.603 145.922 1.00737.35 C ATOM 27368 N9 G 01330 199.257 46.678 144.891 1.00737.35 N ATOM 27369 C8 G 01330 198.009 47.245 145.006 1.00737.35 C ATOM 27370 N7 G 01330 197.303 47.152 143.913 1.00737.35 N ATOM 27371 C5 G 01330 198.130 46.484 143.022 1.00737.35 C ATOM 27372 C6 G 01330 197.908 46.095 141.675 1.00737.35 C ATOM 27373 O6 G 01330 196.900 46.265 140.978 1.00737.35 O ATOM 27374 N1 G 01330 199.016 45.441 141.142 1.00737.35 N ATOM 27375 C2 G 01330 200.185 45.191 141.815 1.00737.35 C ATOM 27376 N2 G 01330 201.138 44.547 141.124 1.00737.35 N ATOM 27377 N3 G 01330 200.405 45.548 143.071 1.00737.35 N ATOM 27378 C4 G 01330 199.343 46.185 143.608 1.00737.35 C ATOM 27379 P G 01331 202.224 50.933 146.535 1.00737.35 P ATOM 27380 O1P G 01331 203.317 51.586 147.300 1.00737.35 O ATOM 27381 O2P G 01331 200.974 51.685 146.252 1.00737.35 O ATOM 27382 O5* G 01331 202.831 50.413 145.156 1.00737.35 O ATOM 27383 C5* G 01331 202.894 51.263 144.013 1.00737.35 C ATOM 27384 C4* G 01331 203.375 50.482 142.811 1.00737.35 C ATOM 27385 O4* G 01331 202.538 49.309 142.636 1.00737.35 O ATOM 27386 C3* G 01331 203.291 51.216 141.481 1.00737.35 C ATOM 27387 O3* G 01331 204.445 52.024 141.272 1.00737.35 O ATOM 27388 C2* G 01331 203.207 50.066 140.483 1.00737.35 C ATOM 27389 O2* G 01331 204.465 49.493 140.188 1.00737.35 O ATOM 27390 C1* G 01331 202.348 49.059 141.253 1.00737.35 C ATOM 27391 N9 G 01331 200.920 49.155 140.957 1.00737.35 N ATOM 27392 C8 G 01331 199.954 49.776 141.716 1.00737.35 C ATOM 27393 N7 G 01331 198.759 49.690 141.195 1.00737.35 N ATOM 27394 C5 G 01331 198.946 48.972 140.025 1.00737.35 C ATOM 27395 C6 G 01331 198.010 48.563 139.040 1.00737.35 C ATOM 27396 O6 G 01331 196.790 48.763 139.006 1.00737.35 O ATOM 27397 N1 G 01331 198.626 47.855 138.012 1.00737.35 N ATOM 27398 C2 G 01331 199.967 47.571 137.940 1.00737.35 C ATOM 27399 N2 G 01331 200.369 46.875 136.865 1.00737.35 N ATOM 27400 N3 G 01331 200.850 47.942 138.855 1.00737.35 N ATOM 27401 C4 G 01331 200.273 48.634 139.861 1.00737.35 C ATOM 27402 P G 01332 204.362 53.294 140.285 1.00737.35 P ATOM 27403 O1P G 01332 205.646 54.030 140.407 1.00737.35 O ATOM 27404 O2P G 01332 203.082 54.006 140.539 1.00737.35 O ATOM 27405 O5* G 01332 204.291 52.649 138.830 1.00737.35 O ATOM 27406 C5* G 01332 205.397 51.924 138.293 1.00737.35 C ATOM 27407 C4* G 01332 205.014 51.274 136.983 1.00737.35 C ATOM 27408 O4* G 01332 203.957 50.306 137.221 1.00737.35 O ATOM 27409 C3* G 01332 204.445 52.208 135.925 1.00737.35 C ATOM 27410 O3* G 01332 205.497 52.811 135.173 1.00737.35 O ATOM 27411 C2* G 01332 203.610 51.264 135.069 1.00737.35 C ATOM 27412 O2* G 01332 204.376 50.541 134.124 1.00737.35 O ATOM 27413 C1* G 01332 203.057 50.301 136.125 1.00737.35 C ATOM 27414 N9 G 01332 201.726 50.658 136.614 1.00737.35 N ATOM 27415 C8 G 01332 201.418 51.300 137.792 1.00737.35 C ATOM 27416 N7 G 01332 200.136 51.470 137.962 1.00737.35 N ATOM 27417 C5 G 01332 199.560 50.912 136.831 1.00737.35 C ATOM 27418 C6 G 01332 198.197 50.799 136.455 1.00737.35 C ATOM 27419 O6 G 01332 197.193 51.179 137.069 1.00737.35 O ATOM 27420 N1 G 01332 198.057 50.165 135.224 1.00737.35 N ATOM 27421 C2 G 01332 199.092 49.699 134.453 1.00737.35 C ATOM 27422 N2 G 01332 198.749 49.119 133.293 1.00737.35 N ATOM 27423 N3 G 01332 200.367 49.794 134.793 1.00737.35 N ATOM 27424 C4 G 01332 200.529 50.407 135.987 1.00737.35 C ATOM 27425 P G 01333 205.315 54.298 134.588 1.00737.35 P ATOM 27426 O1P G 01333 206.572 54.646 133.877 1.00737.35 O ATOM 27427 O2P G 01333 204.824 55.177 135.679 1.00737.35 O ATOM 27428 O5* G 01333 204.156 54.152 133.503 1.00737.35 O ATOM 27429 C5* G 01333 204.273 53.233 132.418 1.00737.35 C ATOM 27430 C4* G 01333 202.932 53.046 131.746 1.00737.35 C ATOM 27431 O4* G 01333 201.983 52.551 132.727 1.00737.35 O ATOM 27432 C3* G 01333 202.292 54.312 131.199 1.00737.35 C ATOM 27433 O3* G 01333 202.750 54.573 129.877 1.00737.35 O ATOM 27434 C2* G 01333 200.808 53.960 131.216 1.00737.35 C ATOM 27435 O2* G 01333 200.405 53.186 130.105 1.00737.35 O ATOM 27436 C1* G 01333 200.708 53.124 132.494 1.00737.35 C ATOM 27437 N9 G 01333 200.327 53.893 133.675 1.00737.35 N ATOM 27438 C8 G 01333 201.105 54.782 134.377 1.00737.35 C ATOM 27439 N7 G 01333 200.485 55.314 135.393 1.00737.35 N ATOM 27440 C5 G 01333 199.220 54.743 135.364 1.00737.35 C ATOM 27441 C6 G 01333 198.106 54.933 136.220 1.00737.35 C ATOM 27442 O6 G 01333 198.009 55.666 137.209 1.00737.35 O ATOM 27443 N1 G 01333 197.023 54.154 135.829 1.00737.35 N ATOM 27444 C2 G 01333 197.011 53.302 134.752 1.00737.35 C ATOM 27445 N2 G 01333 195.872 52.633 134.543 1.00737.35 N ATOM 27446 N3 G 01333 198.041 53.118 133.946 1.00737.35 N ATOM 27447 C4 G 01333 199.105 53.864 134.308 1.00737.35 C ATOM 27448 P A 01334 203.092 56.078 129.433 1.00737.35 P ATOM 27449 O1P A 01334 204.425 56.412 129.994 1.00737.35 O ATOM 27450 O2P A 01334 201.926 56.944 129.745 1.00737.35 O ATOM 27451 O5* A 01334 203.237 55.982 127.847 1.00737.35 O ATOM 27452 C5* A 01334 202.122 55.626 127.034 1.00737.35 C ATOM 27453 C4* A 01334 202.568 54.733 125.896 1.00737.35 C ATOM 27454 O4* A 01334 203.236 53.564 126.440 1.00737.35 O ATOM 27455 C3* A 01334 201.440 54.163 125.049 1.00737.35 C ATOM 27456 O3* A 01334 201.054 55.077 124.028 1.00737.35 O ATOM 27457 C2* A 01334 202.076 52.904 124.474 1.00737.35 C ATOM 27458 O2* A 01334 202.908 53.159 123.357 1.00737.35 O ATOM 27459 C1* A 01334 202.925 52.424 125.654 1.00737.35 C ATOM 27460 N9 A 01334 202.239 51.448 126.503 1.00737.35 N ATOM 27461 C8 A 01334 201.412 51.689 127.574 1.00737.35 C ATOM 27462 N7 A 01334 200.947 50.602 128.137 1.00737.35 N ATOM 27463 C5 A 01334 201.502 49.573 127.389 1.00737.35 C ATOM 27464 C6 A 01334 201.396 48.174 127.481 1.00737.35 C ATOM 27465 N6 A 01334 200.664 47.545 128.403 1.00737.35 N ATOM 27466 N1 A 01334 202.080 47.434 126.581 1.00737.35 N ATOM 27467 C2 A 01334 202.814 48.064 125.658 1.00737.35 C ATOM 27468 N3 A 01334 202.993 49.371 125.470 1.00737.35 N ATOM 27469 C4 A 01334 202.302 50.080 126.380 1.00737.35 C ATOM 27470 P A 01335 199.496 55.404 123.800 1.00737.35 P ATOM 27471 O1P A 01335 199.380 56.129 122.510 1.00737.35 O ATOM 27472 O2P A 01335 198.968 56.029 125.040 1.00737.35 O ATOM 27473 O5* A 01335 198.816 53.972 123.636 1.00737.35 O ATOM 27474 C5* A 01335 199.066 53.169 122.485 1.00737.35 C ATOM 27475 C4* A 01335 198.381 51.827 122.624 1.00737.35 C ATOM 27476 O4* A 01335 198.972 51.095 123.728 1.00737.35 O ATOM 27477 C3* A 01335 196.898 51.875 122.958 1.00737.35 C ATOM 27478 O3* A 01335 196.113 52.044 121.782 1.00737.35 O ATOM 27479 C2* A 01335 196.667 50.518 123.610 1.00737.35 C ATOM 27480 O2* A 01335 196.513 49.469 122.677 1.00737.35 O ATOM 27481 C1* A 01335 197.974 50.333 124.387 1.00737.35 C ATOM 27482 N9 A 01335 197.892 50.779 125.781 1.00737.35 N ATOM 27483 C8 A 01335 198.118 52.039 126.279 1.00737.35 C ATOM 27484 N7 A 01335 197.964 52.131 127.578 1.00737.35 N ATOM 27485 C5 A 01335 197.612 50.844 127.962 1.00737.35 C ATOM 27486 C6 A 01335 197.312 50.281 129.213 1.00737.35 C ATOM 27487 N6 A 01335 197.320 50.970 130.356 1.00737.35 N ATOM 27488 N1 A 01335 197.001 48.966 129.254 1.00737.35 N ATOM 27489 C2 A 01335 196.994 48.277 128.107 1.00737.35 C ATOM 27490 N3 A 01335 197.257 48.691 126.871 1.00737.35 N ATOM 27491 C4 A 01335 197.564 50.000 126.865 1.00737.35 C ATOM 27492 P G 01336 194.824 53.005 121.813 1.00737.35 P ATOM 27493 O1P G 01336 194.267 53.037 120.435 1.00737.35 O ATOM 27494 O2P G 01336 195.204 54.277 122.478 1.00737.35 O ATOM 27495 O5* G 01336 193.794 52.238 122.757 1.00737.35 O ATOM 27496 C5* G 01336 192.990 51.171 122.255 1.00737.35 C ATOM 27497 C4* G 01336 191.814 50.920 123.174 1.00737.35 C ATOM 27498 O4* G 01336 192.286 50.387 124.439 1.00737.35 O ATOM 27499 C3* G 01336 191.005 52.147 123.562 1.00737.35 C ATOM 27500 O3* G 01336 190.048 52.475 122.561 1.00737.35 O ATOM 27501 C2* G 01336 190.346 51.699 124.863 1.00737.35 C ATOM 27502 O2* G 01336 189.197 50.903 124.659 1.00737.35 O ATOM 27503 C1* G 01336 191.458 50.857 125.494 1.00737.35 C ATOM 27504 N9 G 01336 192.290 51.602 126.439 1.00737.35 N ATOM 27505 C8 G 01336 193.491 52.218 126.183 1.00737.35 C ATOM 27506 N7 G 01336 194.000 52.808 127.230 1.00737.35 N ATOM 27507 C5 G 01336 193.080 52.564 128.240 1.00737.35 C ATOM 27508 C6 G 01336 193.089 52.960 129.603 1.00737.35 C ATOM 27509 O6 G 01336 193.941 53.621 130.209 1.00737.35 O ATOM 27510 N1 G 01336 191.960 52.504 130.275 1.00737.35 N ATOM 27511 C2 G 01336 190.949 51.765 129.711 1.00737.35 C ATOM 27512 N2 G 01336 189.942 51.423 130.530 1.00737.35 N ATOM 27513 N3 G 01336 190.927 51.391 128.442 1.00737.35 N ATOM 27514 C4 G 01336 192.017 51.823 127.770 1.00737.35 C ATOM 27515 P G 01337 189.581 54.002 122.370 1.00737.35 P ATOM 27516 O1P G 01337 188.626 54.034 121.234 1.00737.35 O ATOM 27517 O2P G 01337 190.792 54.863 122.333 1.00737.35 O ATOM 27518 O5* G 01337 188.778 54.329 123.709 1.00737.35 O ATOM 27519 C5* G 01337 187.578 53.630 124.029 1.00737.35 C ATOM 27520 C4* G 01337 187.103 54.004 125.416 1.00737.35 C ATOM 27521 O4* G 01337 188.096 53.601 126.395 1.00737.35 O ATOM 27522 C3* G 01337 186.907 55.490 125.677 1.00737.35 C ATOM 27523 O3* G 01337 185.620 55.907 125.227 1.00737.35 O ATOM 27524 C2* G 01337 187.020 55.575 127.196 1.00737.35 C ATOM 27525 O2* G 01337 185.811 55.272 127.859 1.00737.35 O ATOM 27526 C1* G 01337 188.061 54.492 127.496 1.00737.35 C ATOM 27527 N9 G 01337 189.410 55.000 127.737 1.00737.35 N ATOM 27528 C8 G 01337 190.426 55.151 126.822 1.00737.35 C ATOM 27529 N7 G 01337 191.525 55.623 127.349 1.00737.35 N ATOM 27530 C5 G 01337 191.216 55.796 128.692 1.00737.35 C ATOM 27531 C6 G 01337 192.013 56.279 129.766 1.00737.35 C ATOM 27532 O6 G 01337 193.194 56.657 129.745 1.00737.35 O ATOM 27533 N1 G 01337 191.303 56.291 130.962 1.00737.35 N ATOM 27534 C2 G 01337 189.998 55.893 131.111 1.00737.35 C ATOM 27535 N2 G 01337 189.487 55.983 132.347 1.00737.35 N ATOM 27536 N3 G 01337 189.247 55.442 130.121 1.00737.35 N ATOM 27537 C4 G 01337 189.914 55.418 128.947 1.00737.35 C ATOM 27538 P G 01338 185.319 57.470 124.999 1.00737.35 P ATOM 27539 O1P G 01338 185.679 58.187 126.249 1.00737.35 O ATOM 27540 O2P G 01338 183.946 57.599 124.452 1.00737.35 O ATOM 27541 O5* G 01338 186.348 57.907 123.862 1.00737.35 O ATOM 27542 C5* G 01338 186.467 59.274 123.478 1.00737.35 C ATOM 27543 C4* G 01338 187.130 59.383 122.127 1.00737.35 C ATOM 27544 O4* G 01338 186.364 58.630 121.149 1.00737.35 O ATOM 27545 C3* G 01338 187.179 60.794 121.563 1.00737.35 C ATOM 27546 O3* G 01338 188.310 61.496 122.064 1.00737.35 O ATOM 27547 C2* G 01338 187.269 60.541 120.064 1.00737.35 C ATOM 27548 O2* G 01338 188.578 60.224 119.630 1.00737.35 O ATOM 27549 C1* G 01338 186.362 59.319 119.908 1.00737.35 C ATOM 27550 N9 G 01338 184.981 59.654 119.569 1.00737.35 N ATOM 27551 C8 G 01338 183.927 59.818 120.437 1.00737.35 C ATOM 27552 N7 G 01338 182.806 60.113 119.835 1.00737.35 N ATOM 27553 C5 G 01338 183.138 60.148 118.488 1.00737.35 C ATOM 27554 C6 G 01338 182.333 60.417 117.352 1.00737.35 C ATOM 27555 O6 G 01338 181.125 60.684 117.306 1.00737.35 O ATOM 27556 N1 G 01338 183.072 60.350 116.174 1.00737.35 N ATOM 27557 C2 G 01338 184.412 60.063 116.100 1.00737.35 C ATOM 27558 N2 G 01338 184.946 60.049 114.869 1.00737.35 N ATOM 27559 N3 G 01338 185.173 59.810 117.151 1.00737.35 N ATOM 27560 C4 G 01338 184.475 59.869 118.305 1.00737.35 C ATOM 27561 P U 01339 188.096 62.784 122.999 1.00737.35 P ATOM 27562 O1P U 01339 187.353 62.337 124.205 1.00737.35 O ATOM 27563 O2P U 01339 187.544 63.881 122.164 1.00737.35 O ATOM 27564 O5* U 01339 189.570 63.187 123.454 1.00737.35 O ATOM 27565 C5* U 01339 190.444 63.900 122.581 1.00737.35 C ATOM 27566 C4* U 01339 191.296 64.863 123.371 1.00737.35 C ATOM 27567 O4* U 01339 190.433 65.830 124.028 1.00737.35 O ATOM 27568 C3* U 01339 192.108 64.240 124.497 1.00737.35 C ATOM 27569 O3* U 01339 193.354 63.751 124.010 1.00737.35 O ATOM 27570 C2* U 01339 192.282 65.411 125.458 1.00737.35 C ATOM 27571 O2* U 01339 193.319 66.293 125.077 1.00737.35 O ATOM 27572 C1* U 01339 190.929 66.114 125.326 1.00737.35 C ATOM 27573 N1 U 01339 189.928 65.673 126.313 1.00737.35 N ATOM 27574 C2 U 01339 189.904 66.313 127.547 1.00737.35 C ATOM 27575 O2 U 01339 190.673 67.213 127.849 1.00737.35 O ATOM 27576 N3 U 01339 188.942 65.857 128.415 1.00737.35 N ATOM 27577 C4 U 01339 188.024 64.851 128.187 1.00737.35 C ATOM 27578 O4 U 01339 187.210 64.562 129.065 1.00737.35 O ATOM 27579 C5 U 01339 188.116 64.240 126.899 1.00737.35 C ATOM 27580 C6 U 01339 189.040 64.661 126.030 1.00737.35 C ATOM 27581 P C 01340 194.077 62.524 124.755 1.00737.35 P ATOM 27582 O1P C 01340 195.312 62.211 123.989 1.00737.35 O ATOM 27583 O2P C 01340 193.072 61.458 124.995 1.00737.35 O ATOM 27584 O5* C 01340 194.509 63.132 126.163 1.00737.35 O ATOM 27585 C5* C 01340 195.436 64.213 126.245 1.00737.35 C ATOM 27586 C4* C 01340 195.520 64.728 127.662 1.00737.35 C ATOM 27587 O4* C 01340 194.229 65.257 128.059 1.00737.35 O ATOM 27588 C3* C 01340 195.846 63.688 128.723 1.00737.35 C ATOM 27589 O3* C 01340 197.253 63.486 128.824 1.00737.35 O ATOM 27590 C2* C 01340 195.270 64.320 129.984 1.00737.35 C ATOM 27591 O2* C 01340 196.120 65.295 130.557 1.00737.35 O ATOM 27592 C1* C 01340 194.008 64.992 129.436 1.00737.35 C ATOM 27593 N1 C 01340 192.790 64.167 129.574 1.00737.35 N ATOM 27594 C2 C 01340 192.055 64.233 130.771 1.00737.35 C ATOM 27595 O2 C 01340 192.443 64.982 131.683 1.00737.35 O ATOM 27596 N3 C 01340 190.941 63.477 130.902 1.00737.35 N ATOM 27597 C4 C 01340 190.550 62.681 129.903 1.00737.35 C ATOM 27598 N4 C 01340 189.445 61.955 130.079 1.00737.35 N ATOM 27599 C5 C 01340 191.276 62.594 128.681 1.00737.35 C ATOM 27600 C6 C 01340 192.378 63.346 128.558 1.00737.35 C ATOM 27601 P G 01341 197.823 62.046 129.252 1.00737.35 P ATOM 27602 O1P G 01341 199.305 62.140 129.251 1.00737.35 O ATOM 27603 O2P G 01341 197.155 61.007 128.426 1.00737.35 O ATOM 27604 O5* G 01341 197.336 61.874 130.760 1.00737.35 O ATOM 27605 C5* G 01341 197.842 62.712 131.795 1.00737.35 C ATOM 27606 C4* G 01341 197.088 62.472 133.082 1.00737.35 C ATOM 27607 O4* G 01341 195.697 62.849 132.897 1.00737.35 O ATOM 27608 C3* G 01341 197.028 61.027 133.550 1.00737.35 C ATOM 27609 O3* G 01341 198.185 60.680 134.304 1.00737.35 O ATOM 27610 C2* G 01341 195.776 61.023 134.421 1.00737.35 C ATOM 27611 O2* G 01341 196.001 61.526 135.723 1.00737.35 O ATOM 27612 C1* G 01341 194.866 61.978 133.648 1.00737.35 C ATOM 27613 N9 G 01341 193.957 61.297 132.726 1.00737.35 N ATOM 27614 C8 G 01341 194.161 61.034 131.392 1.00737.35 C ATOM 27615 N7 G 01341 193.164 60.403 130.835 1.00737.35 N ATOM 27616 C5 G 01341 192.245 60.237 131.863 1.00737.35 C ATOM 27617 C6 G 01341 190.967 59.622 131.862 1.00737.35 C ATOM 27618 O6 G 01341 190.370 59.083 130.921 1.00737.35 O ATOM 27619 N1 G 01341 190.373 59.674 133.119 1.00737.35 N ATOM 27620 C2 G 01341 190.935 60.245 134.235 1.00737.35 C ATOM 27621 N2 G 01341 190.206 60.194 135.358 1.00737.35 N ATOM 27622 N3 G 01341 192.124 60.823 134.248 1.00737.35 N ATOM 27623 C4 G 01341 192.719 60.784 133.037 1.00737.35 C ATOM 27624 P U 01342 198.869 59.239 134.099 1.00737.35 P ATOM 27625 O1P U 01342 200.083 59.441 133.268 1.00737.35 O ATOM 27626 O2P U 01342 197.835 58.265 133.661 1.00737.35 O ATOM 27627 O5* U 01342 199.343 58.830 135.564 1.00737.35 O ATOM 27628 C5* U 01342 198.405 58.716 136.632 1.00737.35 C ATOM 27629 C4* U 01342 199.124 58.465 137.935 1.00737.35 C ATOM 27630 O4* U 01342 200.077 59.533 138.171 1.00737.35 O ATOM 27631 C3* U 01342 198.240 58.461 139.174 1.00737.35 C ATOM 27632 O3* U 01342 197.664 57.174 139.379 1.00737.35 O ATOM 27633 C2* U 01342 199.228 58.824 140.277 1.00737.35 C ATOM 27634 O2* U 01342 199.992 57.722 140.724 1.00737.35 O ATOM 27635 C1* U 01342 200.134 59.827 139.558 1.00737.35 C ATOM 27636 N1 U 01342 199.746 61.234 139.760 1.00737.35 N ATOM 27637 C2 U 01342 200.252 61.893 140.872 1.00737.35 C ATOM 27638 O2 U 01342 200.993 61.362 141.683 1.00737.35 O ATOM 27639 N3 U 01342 199.854 63.201 140.997 1.00737.35 N ATOM 27640 C4 U 01342 199.022 63.905 140.149 1.00737.35 C ATOM 27641 O4 U 01342 198.763 65.083 140.398 1.00737.35 O ATOM 27642 C5 U 01342 198.542 63.157 139.030 1.00737.35 C ATOM 27643 C6 U 01342 198.908 61.882 138.876 1.00737.35 C ATOM 27644 P C 01343 196.294 57.033 140.211 1.00737.35 P ATOM 27645 O1P C 01343 196.457 57.806 141.470 1.00737.35 O ATOM 27646 O2P C 01343 195.950 55.589 140.277 1.00737.35 O ATOM 27647 O5* C 01343 195.202 57.760 139.304 1.00737.35 O ATOM 27648 C5* C 01343 194.078 58.404 139.898 1.00737.35 C ATOM 27649 C4* C 01343 192.809 58.079 139.140 1.00737.35 C ATOM 27650 O4* C 01343 192.844 58.677 137.820 1.00737.35 O ATOM 27651 C3* C 01343 192.535 56.609 138.860 1.00737.35 C ATOM 27652 O3* C 01343 191.971 55.964 139.999 1.00737.35 O ATOM 27653 C2* C 01343 191.540 56.683 137.707 1.00737.35 C ATOM 27654 O2* C 01343 190.209 56.905 138.134 1.00737.35 O ATOM 27655 C1* C 01343 192.042 57.908 136.937 1.00737.35 C ATOM 27656 N1 C 01343 192.818 57.584 135.720 1.00737.35 N ATOM 27657 C2 C 01343 192.119 57.205 134.559 1.00737.35 C ATOM 27658 O2 C 01343 190.877 57.140 134.592 1.00737.35 O ATOM 27659 N3 C 01343 192.813 56.921 133.434 1.00737.35 N ATOM 27660 C4 C 01343 194.144 56.997 133.433 1.00737.35 C ATOM 27661 N4 C 01343 194.783 56.712 132.294 1.00737.35 N ATOM 27662 C5 C 01343 194.880 57.370 134.598 1.00737.35 C ATOM 27663 C6 C 01343 194.184 57.652 135.708 1.00737.35 C ATOM 27664 P C 01344 192.033 54.361 140.118 1.00737.35 P ATOM 27665 O1P C 01344 191.536 53.998 141.471 1.00737.35 O ATOM 27666 O2P C 01344 193.379 53.903 139.689 1.00737.35 O ATOM 27667 O5* C 01344 190.970 53.852 139.044 1.00737.35 O ATOM 27668 C5* C 01344 189.569 54.020 139.261 1.00737.35 C ATOM 27669 C4* C 01344 188.783 53.459 138.097 1.00737.35 C ATOM 27670 O4* C 01344 189.063 54.235 136.904 1.00737.35 O ATOM 27671 C3* C 01344 189.105 52.025 137.705 1.00737.35 C ATOM 27672 O3* C 01344 188.379 51.109 138.524 1.00737.35 O ATOM 27673 C2* C 01344 188.664 51.980 136.246 1.00737.35 C ATOM 27674 O2* C 01344 187.273 51.784 136.091 1.00737.35 O ATOM 27675 C1* C 01344 189.040 53.384 135.765 1.00737.35 C ATOM 27676 N1 C 01344 190.350 53.467 135.087 1.00737.35 N ATOM 27677 C2 C 01344 190.428 53.179 133.709 1.00737.35 C ATOM 27678 O2 C 01344 189.401 52.838 133.098 1.00737.35 O ATOM 27679 N3 C 01344 191.622 53.280 133.084 1.00737.35 N ATOM 27680 C4 C 01344 192.709 53.642 133.768 1.00737.35 C ATOM 27681 N4 C 01344 193.860 53.738 133.101 1.00737.35 N ATOM 27682 C5 C 01344 192.664 53.922 135.165 1.00737.35 C ATOM 27683 C6 C 01344 191.477 53.824 135.778 1.00737.35 C ATOM 27684 P G 01345 188.760 49.546 138.514 1.00737.35 P ATOM 27685 O1P G 01345 188.159 48.940 139.728 1.00737.35 O ATOM 27686 O2P G 01345 190.220 49.407 138.272 1.00737.35 O ATOM 27687 O5* G 01345 187.983 48.978 137.245 1.00737.35 O ATOM 27688 C5* G 01345 188.157 47.630 136.815 1.00737.35 C ATOM 27689 C4* G 01345 187.117 47.279 135.776 1.00737.35 C ATOM 27690 O4* G 01345 185.800 47.308 136.385 1.00737.35 O ATOM 27691 C3* G 01345 187.019 48.245 134.604 1.00737.35 C ATOM 27692 O3* G 01345 187.970 47.910 133.597 1.00737.35 O ATOM 27693 C2* G 01345 185.584 48.048 134.132 1.00737.35 C ATOM 27694 O2* G 01345 185.420 46.910 133.310 1.00737.35 O ATOM 27695 C1* G 01345 184.856 47.832 135.464 1.00737.35 C ATOM 27696 N9 G 01345 184.284 49.048 136.036 1.00737.35 N ATOM 27697 C8 G 01345 184.893 49.922 136.906 1.00737.35 C ATOM 27698 N7 G 01345 184.127 50.919 137.254 1.00737.35 N ATOM 27699 C5 G 01345 182.938 50.694 136.572 1.00737.35 C ATOM 27700 C6 G 01345 181.734 51.443 136.555 1.00737.35 C ATOM 27701 O6 G 01345 181.467 52.489 137.163 1.00737.35 O ATOM 27702 N1 G 01345 180.780 50.858 135.727 1.00737.35 N ATOM 27703 C2 G 01345 180.962 49.704 135.008 1.00737.35 C ATOM 27704 N2 G 01345 179.919 49.302 134.264 1.00737.35 N ATOM 27705 N3 G 01345 182.078 48.996 135.013 1.00737.35 N ATOM 27706 C4 G 01345 183.018 49.545 135.813 1.00737.35 C ATOM 27707 P C 01346 188.824 49.072 132.889 1.00737.35 P ATOM 27708 O1P C 01346 189.370 49.944 133.961 1.00737.35 O ATOM 27709 O2P C 01346 187.986 49.672 131.816 1.00737.35 O ATOM 27710 O5* C 01346 190.049 48.301 132.224 1.00737.35 O ATOM 27711 C5* C 01346 190.100 48.061 130.819 1.00737.35 C ATOM 27712 C4* C 01346 191.532 47.867 130.375 1.00737.35 C ATOM 27713 O4* C 01346 192.288 49.073 130.673 1.00737.35 O ATOM 27714 C3* C 01346 192.299 46.758 131.081 1.00737.35 C ATOM 27715 O3* C 01346 192.060 45.494 130.471 1.00737.35 O ATOM 27716 C2* C 01346 193.745 47.213 130.916 1.00737.35 C ATOM 27717 O2* C 01346 194.277 46.919 129.639 1.00737.35 O ATOM 27718 C1* C 01346 193.603 48.727 131.086 1.00737.35 C ATOM 27719 N1 C 01346 193.800 49.180 132.478 1.00737.35 N ATOM 27720 C2 C 01346 195.109 49.379 132.951 1.00737.35 C ATOM 27721 O2 C 01346 196.069 49.175 132.185 1.00737.35 O ATOM 27722 N3 C 01346 195.296 49.787 134.227 1.00737.35 N ATOM 27723 C4 C 01346 194.243 49.997 135.022 1.00737.35 C ATOM 27724 N4 C 01346 194.476 50.398 136.273 1.00737.35 N ATOM 27725 C5 C 01346 192.905 49.803 134.570 1.00737.35 C ATOM 27726 C6 C 01346 192.731 49.399 133.305 1.00737.35 C ATOM 27727 P C 01347 192.287 44.145 131.319 1.00737.35 P ATOM 27728 O1P C 01347 191.881 43.007 130.453 1.00737.35 O ATOM 27729 O2P C 01347 191.652 44.312 132.652 1.00737.35 O ATOM 27730 O5* C 01347 193.865 44.077 131.522 1.00737.35 O ATOM 27731 C5* C 01347 194.743 43.948 130.403 1.00737.35 C ATOM 27732 C4* C 01347 196.179 44.145 130.834 1.00737.35 C ATOM 27733 O4* C 01347 196.347 45.489 131.357 1.00737.35 O ATOM 27734 C3* C 01347 196.669 43.243 131.956 1.00737.35 C ATOM 27735 O3* C 01347 197.088 41.978 131.452 1.00737.35 O ATOM 27736 C2* C 01347 197.836 44.044 132.526 1.00737.35 C ATOM 27737 O2* C 01347 199.024 43.911 131.770 1.00737.35 O ATOM 27738 C1* C 01347 197.305 45.476 132.407 1.00737.35 C ATOM 27739 N1 C 01347 196.669 45.973 133.645 1.00737.35 N ATOM 27740 C2 C 01347 197.485 46.483 134.671 1.00737.35 C ATOM 27741 O2 C 01347 198.718 46.500 134.513 1.00737.35 O ATOM 27742 N3 C 01347 196.910 46.942 135.806 1.00737.35 N ATOM 27743 C4 C 01347 195.583 46.906 135.943 1.00737.35 C ATOM 27744 N4 C 01347 195.060 47.369 137.082 1.00737.35 N ATOM 27745 C5 C 01347 194.731 46.391 134.923 1.00737.35 C ATOM 27746 C6 C 01347 195.309 45.940 133.803 1.00737.35 C ATOM 27747 P C 01348 197.186 40.717 132.444 1.00737.35 P ATOM 27748 O1P C 01348 197.529 39.531 131.618 1.00737.35 O ATOM 27749 O2P C 01348 195.967 40.688 133.294 1.00737.35 O ATOM 27750 O5* C 01348 198.433 41.060 133.375 1.00737.35 O ATOM 27751 C5* C 01348 199.764 41.026 132.859 1.00737.35 C ATOM 27752 C4* C 01348 200.763 41.285 133.965 1.00737.35 C ATOM 27753 O4* C 01348 200.620 42.647 134.446 1.00737.35 O ATOM 27754 C3* C 01348 200.609 40.426 135.208 1.00737.35 C ATOM 27755 O3* C 01348 201.250 39.166 135.039 1.00737.35 O ATOM 27756 C2* C 01348 201.280 41.278 136.279 1.00737.35 C ATOM 27757 O2* C 01348 202.689 41.159 136.279 1.00737.35 O ATOM 27758 C1* C 01348 200.879 42.689 135.842 1.00737.35 C ATOM 27759 N1 C 01348 199.682 43.216 136.532 1.00737.35 N ATOM 27760 C2 C 01348 199.838 43.844 137.781 1.00737.35 C ATOM 27761 O2 C 01348 200.974 43.935 138.280 1.00737.35 O ATOM 27762 N3 C 01348 198.748 44.334 138.413 1.00737.35 N ATOM 27763 C4 C 01348 197.542 44.217 137.852 1.00737.35 C ATOM 27764 N4 C 01348 196.494 44.722 138.510 1.00737.35 N ATOM 27765 C5 C 01348 197.354 43.581 136.589 1.00737.35 C ATOM 27766 C6 C 01348 198.440 43.100 135.972 1.00737.35 C ATOM 27767 P A 01349 200.635 37.856 135.741 1.00737.35 P ATOM 27768 O1P A 01349 201.407 36.687 135.244 1.00737.35 O ATOM 27769 O2P A 01349 199.157 37.881 135.581 1.00737.35 O ATOM 27770 O5* A 01349 200.969 38.058 137.286 1.00737.35 O ATOM 27771 C5* A 01349 202.306 37.933 137.768 1.00737.35 C ATOM 27772 C4* A 01349 202.379 38.322 139.226 1.00737.35 C ATOM 27773 O4* A 01349 202.060 39.732 139.367 1.00737.35 O ATOM 27774 C3* A 01349 201.397 37.623 140.151 1.00737.35 C ATOM 27775 O3* A 01349 201.887 36.348 140.556 1.00737.35 O ATOM 27776 C2* A 01349 201.304 38.597 141.319 1.00737.35 C ATOM 27777 O2* A 01349 202.380 38.482 142.229 1.00737.35 O ATOM 27778 C1* A 01349 201.381 39.944 140.593 1.00737.35 C ATOM 27779 N9 A 01349 200.068 40.526 140.304 1.00737.35 N ATOM 27780 C8 A 01349 199.339 40.446 139.140 1.00737.35 C ATOM 27781 N7 A 01349 198.190 41.075 139.193 1.00737.35 N ATOM 27782 C5 A 01349 198.158 41.606 140.476 1.00737.35 C ATOM 27783 C6 A 01349 197.201 42.383 141.154 1.00737.35 C ATOM 27784 N6 A 01349 196.045 42.777 140.614 1.00737.35 N ATOM 27785 N1 A 01349 197.477 42.746 142.425 1.00737.35 N ATOM 27786 C2 A 01349 198.635 42.351 142.967 1.00737.35 C ATOM 27787 N3 A 01349 199.611 41.621 142.433 1.00737.35 N ATOM 27788 C4 A 01349 199.308 41.278 141.171 1.00737.35 C ATOM 27789 P G 01350 200.856 35.212 141.037 1.00737.35 P ATOM 27790 O1P G 01350 201.631 33.954 141.198 1.00737.35 O ATOM 27791 O2P G 01350 199.672 35.234 140.141 1.00737.35 O ATOM 27792 O5* G 01350 200.395 35.700 142.482 1.00737.35 O ATOM 27793 C5* G 01350 201.325 35.767 143.562 1.00737.35 C ATOM 27794 C4* G 01350 200.711 36.477 144.748 1.00737.35 C ATOM 27795 O4* G 01350 200.394 37.845 144.380 1.00737.35 O ATOM 27796 C3* G 01350 199.392 35.912 145.253 1.00737.35 C ATOM 27797 O3* G 01350 199.607 34.817 146.140 1.00737.35 O ATOM 27798 C2* G 01350 198.784 37.114 145.970 1.00737.35 C ATOM 27799 O2* G 01350 199.310 37.312 147.267 1.00737.35 O ATOM 27800 C1* G 01350 199.218 38.262 145.056 1.00737.35 C ATOM 27801 N9 G 01350 198.208 38.618 144.061 1.00737.35 N ATOM 27802 C8 G 01350 198.169 38.238 142.740 1.00737.35 C ATOM 27803 N7 G 01350 197.133 38.718 142.100 1.00737.35 N ATOM 27804 C5 G 01350 196.449 39.456 143.054 1.00737.35 C ATOM 27805 C6 G 01350 195.250 40.205 142.950 1.00737.35 C ATOM 27806 O6 G 01350 194.529 40.372 141.960 1.00737.35 O ATOM 27807 N1 G 01350 194.910 40.796 144.162 1.00737.35 N ATOM 27808 C2 G 01350 195.629 40.685 145.325 1.00737.35 C ATOM 27809 N2 G 01350 195.135 41.330 146.392 1.00737.35 N ATOM 27810 N3 G 01350 196.749 39.989 145.437 1.00737.35 N ATOM 27811 C4 G 01350 197.099 39.405 144.272 1.00737.35 C ATOM 27812 P G 01351 198.444 33.729 146.360 1.00737.35 P ATOM 27813 O1P G 01351 198.986 32.681 147.262 1.00737.35 O ATOM 27814 O2P G 01351 197.896 33.342 145.035 1.00737.35 O ATOM 27815 O5* G 01351 197.313 34.530 147.151 1.00737.35 O ATOM 27816 C5* G 01351 197.557 35.042 148.458 1.00737.35 C ATOM 27817 C4* G 01351 196.377 35.858 148.933 1.00737.35 C ATOM 27818 O4* G 01351 196.206 37.014 148.069 1.00737.35 O ATOM 27819 C3* G 01351 195.027 35.160 148.895 1.00737.35 C ATOM 27820 O3* G 01351 194.828 34.362 150.057 1.00737.35 O ATOM 27821 C2* G 01351 194.059 36.335 148.836 1.00737.35 C ATOM 27822 O2* G 01351 193.825 36.928 150.100 1.00737.35 O ATOM 27823 C1* G 01351 194.823 37.313 147.940 1.00737.35 C ATOM 27824 N9 G 01351 194.453 37.212 146.529 1.00737.35 N ATOM 27825 C8 G 01351 195.178 36.619 145.519 1.00737.35 C ATOM 27826 N7 G 01351 194.586 36.683 144.359 1.00737.35 N ATOM 27827 C5 G 01351 193.398 37.356 144.614 1.00737.35 C ATOM 27828 C6 G 01351 192.344 37.720 143.739 1.00737.35 C ATOM 27829 O6 G 01351 192.246 37.512 142.523 1.00737.35 O ATOM 27830 N1 G 01351 191.330 38.390 144.413 1.00737.35 N ATOM 27831 C2 G 01351 191.324 38.674 145.756 1.00737.35 C ATOM 27832 N2 G 01351 190.248 39.329 146.218 1.00737.35 N ATOM 27833 N3 G 01351 192.302 38.343 146.582 1.00737.35 N ATOM 27834 C4 G 01351 193.302 37.688 145.949 1.00737.35 C ATOM 27835 P G 01352 193.856 33.080 149.987 1.00737.35 P ATOM 27836 O1P G 01352 193.861 32.448 151.331 1.00737.35 O ATOM 27837 O2P G 01352 194.226 32.273 148.797 1.00737.35 O ATOM 27838 O5* G 01352 192.412 33.707 149.735 1.00737.35 O ATOM 27839 C5* G 01352 191.804 34.558 150.707 1.00737.35 C ATOM 27840 C4* G 01352 190.500 35.108 150.181 1.00737.35 C ATOM 27841 O4* G 01352 190.759 35.948 149.024 1.00737.35 O ATOM 27842 C3* G 01352 189.502 34.078 149.676 1.00737.35 C ATOM 27843 O3* G 01352 188.743 33.527 150.748 1.00737.35 O ATOM 27844 C2* G 01352 188.644 34.904 148.723 1.00737.35 C ATOM 27845 O2* G 01352 187.661 35.673 149.384 1.00737.35 O ATOM 27846 C1* G 01352 189.692 35.826 148.095 1.00737.35 C ATOM 27847 N9 G 01352 190.230 35.315 146.837 1.00737.35 N ATOM 27848 C8 G 01352 191.319 34.492 146.668 1.00737.35 C ATOM 27849 N7 G 01352 191.555 34.200 145.419 1.00737.35 N ATOM 27850 C5 G 01352 190.562 34.868 144.716 1.00737.35 C ATOM 27851 C6 G 01352 190.304 34.927 143.321 1.00737.35 C ATOM 27852 O6 G 01352 190.920 34.381 142.399 1.00737.35 O ATOM 27853 N1 G 01352 189.194 35.720 143.041 1.00737.35 N ATOM 27854 C2 G 01352 188.433 36.373 143.977 1.00737.35 C ATOM 27855 N2 G 01352 187.403 37.090 143.505 1.00737.35 N ATOM 27856 N3 G 01352 188.662 36.326 145.278 1.00737.35 N ATOM 27857 C4 G 01352 189.735 35.560 145.575 1.00737.35 C ATOM 27858 P A 01353 188.082 32.070 150.589 1.00737.35 P ATOM 27859 O1P A 01353 187.775 31.579 151.958 1.00737.35 O ATOM 27860 O2P A 01353 188.940 31.250 149.694 1.00737.35 O ATOM 27861 O5* A 01353 186.709 32.355 149.834 1.00737.35 O ATOM 27862 C5* A 01353 185.564 32.820 150.546 1.00737.35 C ATOM 27863 C4* A 01353 184.363 32.887 149.629 1.00737.35 C ATOM 27864 O4* A 01353 184.564 33.929 148.638 1.00737.35 O ATOM 27865 C3* A 01353 184.090 31.638 148.805 1.00737.35 C ATOM 27866 O3* A 01353 183.374 30.661 149.555 1.00737.35 O ATOM 27867 C2* A 01353 183.270 32.196 147.648 1.00737.35 C ATOM 27868 O2* A 01353 181.914 32.405 147.980 1.00737.35 O ATOM 27869 C1* A 01353 183.958 33.543 147.411 1.00737.35 C ATOM 27870 N9 A 01353 184.994 33.497 146.375 1.00737.35 N ATOM 27871 C8 A 01353 186.345 33.708 146.510 1.00737.35 C ATOM 27872 N7 A 01353 187.014 33.599 145.390 1.00737.35 N ATOM 27873 C5 A 01353 186.041 33.294 144.449 1.00737.35 C ATOM 27874 C6 A 01353 186.105 33.051 143.066 1.00737.35 C ATOM 27875 N6 A 01353 187.238 33.082 142.360 1.00737.35 N ATOM 27876 N1 A 01353 184.951 32.772 142.423 1.00737.35 N ATOM 27877 C2 A 01353 183.814 32.743 143.128 1.00737.35 C ATOM 27878 N3 A 01353 183.627 32.954 144.429 1.00737.35 N ATOM 27879 C4 A 01353 184.791 33.228 145.040 1.00737.35 C ATOM 27880 P A 01354 183.401 29.121 149.087 1.00737.35 P ATOM 27881 O1P A 01354 184.710 28.869 148.432 1.00737.35 O ATOM 27882 O2P A 01354 182.146 28.845 148.342 1.00737.35 O ATOM 27883 O5* A 01354 183.364 28.296 150.449 1.00737.35 O ATOM 27884 C5* A 01354 183.406 26.871 150.440 1.00737.35 C ATOM 27885 C4* A 01354 183.169 26.330 151.832 1.00737.35 C ATOM 27886 O4* A 01354 184.256 26.748 152.702 1.00737.35 O ATOM 27887 C3* A 01354 181.910 26.827 152.522 1.00737.35 C ATOM 27888 O3* A 01354 180.715 26.189 152.044 1.00737.35 O ATOM 27889 C2* A 01354 182.255 26.734 154.008 1.00737.35 C ATOM 27890 O2* A 01354 182.039 25.485 154.629 1.00737.35 O ATOM 27891 C1* A 01354 183.752 27.057 153.993 1.00737.35 C ATOM 27892 N9 A 01354 184.069 28.457 154.285 1.00737.35 N ATOM 27893 C8 A 01354 183.659 29.580 153.605 1.00737.35 C ATOM 27894 N7 A 01354 184.110 30.700 154.115 1.00737.35 N ATOM 27895 C5 A 01354 184.871 30.290 155.201 1.00737.35 C ATOM 27896 C6 A 01354 185.619 31.002 156.155 1.00737.35 C ATOM 27897 N6 A 01354 185.725 32.333 156.169 1.00737.35 N ATOM 27898 N1 A 01354 186.261 30.294 157.107 1.00737.35 N ATOM 27899 C2 A 01354 186.153 28.959 157.094 1.00737.35 C ATOM 27900 N3 A 01354 185.481 28.175 156.254 1.00737.35 N ATOM 27901 C4 A 01354 184.853 28.911 155.317 1.00737.35 C ATOM 27902 P A 01355 180.476 24.602 152.239 1.00737.35 P ATOM 27903 O1P A 01355 181.617 23.977 152.953 1.00737.35 O ATOM 27904 O2P A 01355 180.092 24.085 150.903 1.00737.35 O ATOM 27905 O5* A 01355 179.170 24.522 153.151 1.00737.35 O ATOM 27906 C5* A 01355 179.247 24.309 154.561 1.00737.35 C ATOM 27907 C4* A 01355 177.881 24.481 155.186 1.00737.35 C ATOM 27908 O4* A 01355 177.447 25.854 155.007 1.00737.35 O ATOM 27909 C3* A 01355 176.777 23.641 154.559 1.00737.35 C ATOM 27910 O3* A 01355 176.723 22.352 155.159 1.00737.35 O ATOM 27911 C2* A 01355 175.527 24.457 154.863 1.00737.35 C ATOM 27912 O2* A 01355 175.031 24.250 156.171 1.00737.35 O ATOM 27913 C1* A 01355 176.057 25.888 154.735 1.00737.35 C ATOM 27914 N9 A 01355 175.867 26.489 153.412 1.00737.35 N ATOM 27915 C8 A 01355 176.500 26.164 152.236 1.00737.35 C ATOM 27916 N7 A 01355 176.131 26.899 151.216 1.00737.35 N ATOM 27917 C5 A 01355 175.188 27.765 151.753 1.00737.35 C ATOM 27918 C6 A 01355 174.420 28.797 151.187 1.00737.35 C ATOM 27919 N6 A 01355 174.488 29.149 149.900 1.00737.35 N ATOM 27920 N1 A 01355 173.573 29.468 151.997 1.00737.35 N ATOM 27921 C2 A 01355 173.509 29.116 153.286 1.00737.35 C ATOM 27922 N3 A 01355 174.178 28.168 153.936 1.00737.35 N ATOM 27923 C4 A 01355 175.011 27.519 153.103 1.00737.35 C ATOM 27924 P G 01356 176.917 21.041 154.251 1.00737.35 P ATOM 27925 O1P G 01356 178.369 20.734 154.228 1.00737.35 O ATOM 27926 O2P G 01356 176.188 21.236 152.970 1.00737.35 O ATOM 27927 O5* G 01356 176.186 19.890 155.075 1.00737.35 O ATOM 27928 C5* G 01356 175.864 18.644 154.459 1.00737.35 C ATOM 27929 C4* G 01356 174.559 18.108 155.002 1.00737.35 C ATOM 27930 O4* G 01356 174.719 17.733 156.395 1.00737.35 O ATOM 27931 C3* G 01356 173.395 19.087 155.021 1.00737.35 C ATOM 27932 O3* G 01356 172.756 19.159 153.749 1.00737.35 O ATOM 27933 C2* G 01356 172.477 18.476 156.073 1.00737.35 C ATOM 27934 O2* G 01356 171.675 17.427 155.570 1.00737.35 O ATOM 27935 C1* G 01356 173.488 17.911 157.077 1.00737.35 C ATOM 27936 N9 G 01356 173.713 18.748 158.255 1.00737.35 N ATOM 27937 C8 G 01356 174.919 19.189 158.751 1.00737.35 C ATOM 27938 N7 G 01356 174.799 19.903 159.837 1.00737.35 N ATOM 27939 C5 G 01356 173.431 19.942 160.075 1.00737.35 C ATOM 27940 C6 G 01356 172.694 20.566 161.119 1.00737.35 C ATOM 27941 O6 G 01356 173.119 21.225 162.079 1.00737.35 O ATOM 27942 N1 G 01356 171.327 20.358 160.972 1.00737.35 N ATOM 27943 C2 G 01356 170.740 19.641 159.960 1.00737.35 C ATOM 27944 N2 G 01356 169.400 19.560 159.991 1.00737.35 N ATOM 27945 N3 G 01356 171.414 19.049 158.988 1.00737.35 N ATOM 27946 C4 G 01356 172.745 19.240 159.106 1.00737.35 C ATOM 27947 P U 01357 172.268 20.582 153.183 1.00737.35 P ATOM 27948 O1P U 01357 171.359 20.316 152.041 1.00737.35 O ATOM 27949 O2P U 01357 173.465 21.441 152.982 1.00737.35 O ATOM 27950 O5* U 01357 171.401 21.193 154.371 1.00737.35 O ATOM 27951 C5* U 01357 171.135 22.591 154.444 1.00737.35 C ATOM 27952 C4* U 01357 169.931 22.846 155.322 1.00737.35 C ATOM 27953 O4* U 01357 170.161 22.269 156.634 1.00737.35 O ATOM 27954 C3* U 01357 169.623 24.308 155.606 1.00737.35 C ATOM 27955 O3* U 01357 168.860 24.878 154.545 1.00737.35 O ATOM 27956 C2* U 01357 168.820 24.222 156.902 1.00737.35 C ATOM 27957 O2* U 01357 167.460 23.909 156.691 1.00737.35 O ATOM 27958 C1* U 01357 169.506 23.055 157.619 1.00737.35 C ATOM 27959 N1 U 01357 170.485 23.461 158.640 1.00737.35 N ATOM 27960 C2 U 01357 170.015 23.698 159.926 1.00737.35 C ATOM 27961 O2 U 01357 168.840 23.591 160.237 1.00737.35 O ATOM 27962 N3 U 01357 170.974 24.067 160.835 1.00737.35 N ATOM 27963 C4 U 01357 172.325 24.224 160.604 1.00737.35 C ATOM 27964 O4 U 01357 173.064 24.548 161.537 1.00737.35 O ATOM 27965 C5 U 01357 172.734 23.966 159.257 1.00737.35 C ATOM 27966 C6 U 01357 171.825 23.604 158.344 1.00737.35 C ATOM 27967 P C 01358 168.727 26.477 154.428 1.00737.35 P ATOM 27968 O1P C 01358 170.100 27.029 154.281 1.00737.35 O ATOM 27969 O2P C 01358 167.864 26.948 155.543 1.00737.35 O ATOM 27970 O5* C 01358 167.955 26.708 153.052 1.00737.35 O ATOM 27971 C5* C 01358 167.100 27.837 152.877 1.00737.35 C ATOM 27972 C4* C 01358 167.438 28.564 151.592 1.00737.35 C ATOM 27973 O4* C 01358 168.838 28.953 151.623 1.00737.35 O ATOM 27974 C3* C 01358 167.307 27.774 150.300 1.00737.35 C ATOM 27975 O3* C 01358 165.960 27.762 149.824 1.00737.35 O ATOM 27976 C2* C 01358 168.219 28.559 149.364 1.00737.35 C ATOM 27977 O2* C 01358 167.617 29.729 148.848 1.00737.35 O ATOM 27978 C1* C 01358 169.366 28.935 150.304 1.00737.35 C ATOM 27979 N1 C 01358 170.495 27.981 150.246 1.00737.35 N ATOM 27980 C2 C 01358 171.414 28.085 149.184 1.00737.35 C ATOM 27981 O2 C 01358 171.257 28.975 148.331 1.00737.35 O ATOM 27982 N3 C 01358 172.445 27.210 149.118 1.00737.35 N ATOM 27983 C4 C 01358 172.582 26.265 150.049 1.00737.35 C ATOM 27984 N4 C 01358 173.617 25.427 149.938 1.00737.35 N ATOM 27985 C5 C 01358 171.667 26.136 151.134 1.00737.35 C ATOM 27986 C6 C 01358 170.650 27.006 151.195 1.00737.35 C ATOM 27987 P G 01359 165.356 26.425 149.149 1.00737.35 P ATOM 27988 O1P G 01359 163.880 26.499 149.295 1.00737.35 O ATOM 27989 O2P G 01359 166.086 25.244 149.681 1.00737.35 O ATOM 27990 O5* G 01359 165.697 26.561 147.597 1.00737.35 O ATOM 27991 C5* G 01359 167.011 26.895 147.162 1.00737.35 C ATOM 27992 C4* G 01359 167.231 26.470 145.728 1.00737.35 C ATOM 27993 O4* G 01359 168.548 26.931 145.317 1.00737.35 O ATOM 27994 C3* G 01359 167.248 24.966 145.490 1.00737.35 C ATOM 27995 O3* G 01359 165.942 24.466 145.226 1.00737.35 O ATOM 27996 C2* G 01359 168.167 24.840 144.282 1.00737.35 C ATOM 27997 O2* G 01359 167.529 25.152 143.060 1.00737.35 O ATOM 27998 C1* G 01359 169.217 25.904 144.603 1.00737.35 C ATOM 27999 N9 G 01359 170.298 25.399 145.449 1.00737.35 N ATOM 28000 C8 G 01359 170.393 25.502 146.818 1.00737.35 C ATOM 28001 N7 G 01359 171.470 24.945 147.300 1.00737.35 N ATOM 28002 C5 G 01359 172.128 24.444 146.185 1.00737.35 C ATOM 28003 C6 G 01359 173.351 23.734 146.085 1.00737.35 C ATOM 28004 O6 G 01359 174.120 23.397 146.992 1.00737.35 O ATOM 28005 N1 G 01359 173.648 23.414 144.766 1.00737.35 N ATOM 28006 C2 G 01359 172.872 23.734 143.680 1.00737.35 C ATOM 28007 N2 G 01359 173.333 23.334 142.485 1.00737.35 N ATOM 28008 N3 G 01359 171.729 24.396 143.759 1.00737.35 N ATOM 28009 C4 G 01359 171.418 24.717 145.032 1.00737.35 C ATOM 28010 P G 01360 165.630 22.902 145.428 1.00737.35 P ATOM 28011 O1P G 01360 164.199 22.690 145.084 1.00737.35 O ATOM 28012 O2P G 01360 166.129 22.489 146.764 1.00737.35 O ATOM 28013 O5* G 01360 166.521 22.182 144.319 1.00737.35 O ATOM 28014 C5* G 01360 166.246 22.354 142.930 1.00737.35 C ATOM 28015 C4* G 01360 167.282 21.639 142.093 1.00737.35 C ATOM 28016 O4* G 01360 168.588 22.224 142.336 1.00737.35 O ATOM 28017 C3* G 01360 167.472 20.161 142.395 1.00737.35 C ATOM 28018 O3* G 01360 166.508 19.366 141.712 1.00737.35 O ATOM 28019 C2* G 01360 168.886 19.907 141.886 1.00737.35 C ATOM 28020 O2* G 01360 168.952 19.731 140.483 1.00737.35 O ATOM 28021 C1* G 01360 169.584 21.210 142.280 1.00737.35 C ATOM 28022 N9 G 01360 170.246 21.135 143.581 1.00737.35 N ATOM 28023 C8 G 01360 169.804 21.663 144.773 1.00737.35 C ATOM 28024 N7 G 01360 170.614 21.426 145.768 1.00737.35 N ATOM 28025 C5 G 01360 171.655 20.702 145.203 1.00737.35 C ATOM 28026 C6 G 01360 172.825 20.165 145.794 1.00737.35 C ATOM 28027 O6 G 01360 173.193 20.223 146.976 1.00737.35 O ATOM 28028 N1 G 01360 173.611 19.499 144.859 1.00737.35 N ATOM 28029 C2 G 01360 173.312 19.366 143.525 1.00737.35 C ATOM 28030 N2 G 01360 174.199 18.688 142.782 1.00737.35 N ATOM 28031 N3 G 01360 172.222 19.863 142.961 1.00737.35 N ATOM 28032 C4 G 01360 171.444 20.515 143.853 1.00737.35 C ATOM 28033 P G 01361 166.075 17.940 142.318 1.00737.35 P ATOM 28034 O1P G 01361 164.954 17.432 141.489 1.00737.35 O ATOM 28035 O2P G 01361 165.890 18.091 143.785 1.00737.35 O ATOM 28036 O5* G 01361 167.348 17.014 142.070 1.00737.35 O ATOM 28037 C5* G 01361 167.719 16.616 140.752 1.00737.35 C ATOM 28038 C4* G 01361 168.972 15.769 140.791 1.00737.35 C ATOM 28039 O4* G 01361 170.080 16.564 141.285 1.00737.35 O ATOM 28040 C3* G 01361 168.930 14.567 141.721 1.00737.35 C ATOM 28041 O3* G 01361 168.316 13.447 141.089 1.00737.35 O ATOM 28042 C2* G 01361 170.408 14.319 141.996 1.00737.35 C ATOM 28043 O2* G 01361 171.055 13.602 140.963 1.00737.35 O ATOM 28044 C1* G 01361 170.949 15.749 142.056 1.00737.35 C ATOM 28045 N9 G 01361 171.013 16.292 143.411 1.00737.35 N ATOM 28046 C8 G 01361 170.061 17.049 144.052 1.00737.35 C ATOM 28047 N7 G 01361 170.404 17.384 145.265 1.00737.35 N ATOM 28048 C5 G 01361 171.657 16.815 145.440 1.00737.35 C ATOM 28049 C6 G 01361 172.530 16.839 146.559 1.00737.35 C ATOM 28050 O6 G 01361 172.363 17.386 147.655 1.00737.35 O ATOM 28051 N1 G 01361 173.702 16.132 146.308 1.00737.35 N ATOM 28052 C2 G 01361 173.998 15.486 145.133 1.00737.35 C ATOM 28053 N2 G 01361 175.182 14.857 145.088 1.00737.35 N ATOM 28054 N3 G 01361 173.195 15.455 144.083 1.00737.35 N ATOM 28055 C4 G 01361 172.049 16.137 144.304 1.00737.35 C ATOM 28056 P A 01362 167.374 12.465 141.946 1.00737.35 P ATOM 28057 O1P A 01362 166.943 11.368 141.039 1.00737.35 O ATOM 28058 O2P A 01362 166.347 13.287 142.635 1.00737.35 O ATOM 28059 O5* A 01362 168.349 11.854 143.047 1.00737.35 O ATOM 28060 C5* A 01362 169.370 10.924 142.688 1.00737.35 C ATOM 28061 C4* A 01362 170.260 10.631 143.872 1.00737.35 C ATOM 28062 O4* A 01362 170.947 11.845 144.276 1.00737.35 O ATOM 28063 C3* A 01362 169.560 10.161 145.139 1.00737.35 C ATOM 28064 O3* A 01362 169.305 8.760 145.094 1.00737.35 O ATOM 28065 C2* A 01362 170.574 10.523 146.218 1.00737.35 C ATOM 28066 O2* A 01362 171.623 9.581 146.337 1.00737.35 O ATOM 28067 C1* A 01362 171.123 11.850 145.685 1.00737.35 C ATOM 28068 N9 A 01362 170.443 13.021 146.237 1.00737.35 N ATOM 28069 C8 A 01362 169.367 13.701 145.716 1.00737.35 C ATOM 28070 N7 A 01362 168.977 14.715 146.452 1.00737.35 N ATOM 28071 C5 A 01362 169.854 14.703 147.526 1.00737.35 C ATOM 28072 C6 A 01362 169.972 15.526 148.661 1.00737.35 C ATOM 28073 N6 A 01362 169.168 16.564 148.910 1.00737.35 N ATOM 28074 N1 A 01362 170.955 15.245 149.542 1.00737.35 N ATOM 28075 C2 A 01362 171.761 14.206 149.293 1.00737.35 C ATOM 28076 N3 A 01362 171.752 13.360 148.264 1.00737.35 N ATOM 28077 C4 A 01362 170.764 13.667 147.406 1.00737.35 C ATOM 28078 P C 01363 168.260 8.102 146.129 1.00737.35 P ATOM 28079 O1P C 01363 168.840 8.237 147.490 1.00737.35 O ATOM 28080 O2P C 01363 167.893 6.756 145.620 1.00737.35 O ATOM 28081 O5* C 01363 166.972 9.036 146.050 1.00737.35 O ATOM 28082 C5* C 01363 166.316 9.281 144.809 1.00737.35 C ATOM 28083 C4* C 01363 164.821 9.351 145.012 1.00737.35 C ATOM 28084 O4* C 01363 164.507 10.377 145.990 1.00737.35 O ATOM 28085 C3* C 01363 164.013 9.742 143.784 1.00737.35 C ATOM 28086 O3* C 01363 163.758 8.596 142.976 1.00737.35 O ATOM 28087 C2* C 01363 162.738 10.309 144.399 1.00737.35 C ATOM 28088 O2* C 01363 161.810 9.308 144.770 1.00737.35 O ATOM 28089 C1* C 01363 163.277 11.002 145.652 1.00737.35 C ATOM 28090 N1 C 01363 163.503 12.455 145.501 1.00737.35 N ATOM 28091 C2 C 01363 162.398 13.328 145.548 1.00737.35 C ATOM 28092 O2 C 01363 161.259 12.855 145.703 1.00737.35 O ATOM 28093 N3 C 01363 162.602 14.659 145.423 1.00737.35 N ATOM 28094 C4 C 01363 163.837 15.133 145.255 1.00737.35 C ATOM 28095 N4 C 01363 163.990 16.454 145.141 1.00737.35 N ATOM 28096 C5 C 01363 164.974 14.273 145.199 1.00737.35 C ATOM 28097 C6 C 01363 164.763 12.957 145.322 1.00737.35 C ATOM 28098 P C 01364 163.599 8.756 141.383 1.00737.35 P ATOM 28099 O1P C 01364 163.543 7.389 140.806 1.00737.35 O ATOM 28100 O2P C 01364 164.621 9.715 140.895 1.00737.35 O ATOM 28101 O5* C 01364 162.162 9.426 141.205 1.00737.35 O ATOM 28102 C5* C 01364 160.999 8.830 141.774 1.00737.35 C ATOM 28103 C4* C 01364 159.832 9.788 141.707 1.00737.35 C ATOM 28104 O4* C 01364 160.179 11.003 142.426 1.00737.35 O ATOM 28105 C3* C 01364 159.455 10.270 140.316 1.00737.35 C ATOM 28106 O3* C 01364 158.588 9.343 139.668 1.00737.35 O ATOM 28107 C2* C 01364 158.764 11.595 140.610 1.00737.35 C ATOM 28108 O2* C 01364 157.422 11.449 141.032 1.00737.35 O ATOM 28109 C1* C 01364 159.615 12.127 141.764 1.00737.35 C ATOM 28110 N1 C 01364 160.707 13.011 141.312 1.00737.35 N ATOM 28111 C2 C 01364 160.452 14.384 141.174 1.00737.35 C ATOM 28112 O2 C 01364 159.322 14.820 141.452 1.00737.35 O ATOM 28113 N3 C 01364 161.440 15.198 140.740 1.00737.35 N ATOM 28114 C4 C 01364 162.643 14.696 140.452 1.00737.35 C ATOM 28115 N4 C 01364 163.587 15.537 140.019 1.00737.35 N ATOM 28116 C5 C 01364 162.933 13.308 140.595 1.00737.35 C ATOM 28117 C6 C 01364 161.950 12.510 141.024 1.00737.35 C ATOM 28118 P U 01365 158.517 9.301 138.061 1.00737.35 P ATOM 28119 O1P U 01365 157.662 8.149 137.687 1.00737.35 O ATOM 28120 O2P U 01365 159.901 9.392 137.525 1.00737.35 O ATOM 28121 O5* U 01365 157.747 10.644 137.677 1.00737.35 O ATOM 28122 C5* U 01365 156.372 10.818 138.012 1.00737.35 C ATOM 28123 C4* U 01365 155.900 12.195 137.602 1.00737.35 C ATOM 28124 O4* U 01365 156.611 13.199 138.369 1.00737.35 O ATOM 28125 C3* U 01365 156.146 12.581 136.152 1.00737.35 C ATOM 28126 O3* U 01365 155.110 12.076 135.314 1.00737.35 O ATOM 28127 C2* U 01365 156.145 14.104 136.216 1.00737.35 C ATOM 28128 O2* U 01365 154.846 14.661 136.213 1.00737.35 O ATOM 28129 C1* U 01365 156.815 14.356 137.572 1.00737.35 C ATOM 28130 N1 U 01365 158.260 14.626 137.483 1.00737.35 N ATOM 28131 C2 U 01365 158.662 15.931 137.235 1.00737.35 C ATOM 28132 O2 U 01365 157.876 16.856 137.087 1.00737.35 O ATOM 28133 N3 U 01365 160.021 16.114 137.165 1.00737.35 N ATOM 28134 C4 U 01365 161.000 15.154 137.315 1.00737.35 C ATOM 28135 O4 U 01365 162.186 15.478 137.225 1.00737.35 O ATOM 28136 C5 U 01365 160.507 13.835 137.567 1.00737.35 C ATOM 28137 C6 U 01365 159.191 13.619 137.639 1.00737.35 C ATOM 28138 P A 01366 155.298 12.075 133.717 1.00737.35 P ATOM 28139 O1P A 01366 154.408 11.018 133.172 1.00737.35 O ATOM 28140 O2P A 01366 156.751 12.041 133.399 1.00737.35 O ATOM 28141 O5* A 01366 154.725 13.492 133.265 1.00737.35 O ATOM 28142 C5* A 01366 153.334 13.787 133.373 1.00737.35 C ATOM 28143 C4* A 01366 153.039 15.153 132.799 1.00737.35 C ATOM 28144 O4* A 01366 153.692 16.170 133.603 1.00737.35 O ATOM 28145 C3* A 01366 153.548 15.399 131.388 1.00737.35 C ATOM 28146 O3* A 01366 152.628 14.901 130.421 1.00737.35 O ATOM 28147 C2* A 01366 153.661 16.919 131.346 1.00737.35 C ATOM 28148 O2* A 01366 152.426 17.561 131.094 1.00737.35 O ATOM 28149 C1* A 01366 154.126 17.234 132.771 1.00737.35 C ATOM 28150 N9 A 01366 155.579 17.367 132.906 1.00737.35 N ATOM 28151 C8 A 01366 156.447 16.527 133.560 1.00737.35 C ATOM 28152 N7 A 01366 157.697 16.920 133.516 1.00737.35 N ATOM 28153 C5 A 01366 157.651 18.099 132.784 1.00737.35 C ATOM 28154 C6 A 01366 158.650 19.003 132.385 1.00737.35 C ATOM 28155 N6 A 01366 159.942 18.856 132.682 1.00737.35 N ATOM 28156 N1 A 01366 158.271 20.079 131.664 1.00737.35 N ATOM 28157 C2 A 01366 156.973 20.225 131.367 1.00737.35 C ATOM 28158 N3 A 01366 155.942 19.447 131.684 1.00737.35 N ATOM 28159 C4 A 01366 156.353 18.386 132.402 1.00737.35 C ATOM 28160 P A 01367 153.175 14.332 129.020 1.00737.35 P ATOM 28161 O1P A 01367 152.016 13.738 128.306 1.00737.35 O ATOM 28162 O2P A 01367 154.378 13.501 129.281 1.00737.35 O ATOM 28163 O5* A 01367 153.634 15.637 128.229 1.00737.35 O ATOM 28164 C5* A 01367 152.676 16.557 127.710 1.00737.35 C ATOM 28165 C4* A 01367 153.373 17.699 127.008 1.00737.35 C ATOM 28166 O4* A 01367 154.149 18.454 127.974 1.00737.35 O ATOM 28167 C3* A 01367 154.383 17.299 125.943 1.00737.35 C ATOM 28168 O3* A 01367 153.747 17.064 124.692 1.00737.35 O ATOM 28169 C2* A 01367 155.299 18.518 125.894 1.00737.35 C ATOM 28170 O2* A 01367 154.771 19.578 125.125 1.00737.35 O ATOM 28171 C1* A 01367 155.346 18.920 127.369 1.00737.35 C ATOM 28172 N9 A 01367 156.484 18.351 128.094 1.00737.35 N ATOM 28173 C8 A 01367 156.546 17.156 128.771 1.00737.35 C ATOM 28174 N7 A 01367 157.713 16.919 129.320 1.00737.35 N ATOM 28175 C5 A 01367 158.471 18.029 128.980 1.00737.35 C ATOM 28176 C6 A 01367 159.803 18.386 129.261 1.00737.35 C ATOM 28177 N6 A 01367 160.638 17.629 129.977 1.00737.35 N ATOM 28178 N1 A 01367 160.253 19.563 128.776 1.00737.35 N ATOM 28179 C2 A 01367 159.416 20.321 128.059 1.00737.35 C ATOM 28180 N3 A 01367 158.146 20.097 127.729 1.00737.35 N ATOM 28181 C4 A 01367 157.728 18.919 128.225 1.00737.35 C ATOM 28182 P G 01368 154.147 15.770 123.823 1.00737.35 P ATOM 28183 O1P G 01368 153.518 15.923 122.486 1.00737.35 O ATOM 28184 O2P G 01368 153.862 14.558 124.631 1.00737.35 O ATOM 28185 O5* G 01368 155.726 15.892 123.646 1.00737.35 O ATOM 28186 C5* G 01368 156.305 17.019 122.994 1.00737.35 C ATOM 28187 C4* G 01368 157.774 17.129 123.334 1.00737.35 C ATOM 28188 O4* G 01368 157.921 17.289 124.772 1.00737.35 O ATOM 28189 C3* G 01368 158.625 15.912 123.009 1.00737.35 C ATOM 28190 O3* G 01368 159.046 15.926 121.648 1.00737.35 O ATOM 28191 C2* G 01368 159.799 16.073 123.968 1.00737.35 C ATOM 28192 O2* G 01368 160.766 17.000 123.513 1.00737.35 O ATOM 28193 C1* G 01368 159.097 16.626 125.211 1.00737.35 C ATOM 28194 N9 G 01368 158.721 15.588 126.167 1.00737.35 N ATOM 28195 C8 G 01368 157.521 14.919 126.242 1.00737.35 C ATOM 28196 N7 G 01368 157.486 14.037 127.203 1.00737.35 N ATOM 28197 C5 G 01368 158.735 14.128 127.801 1.00737.35 C ATOM 28198 C6 G 01368 159.285 13.414 128.900 1.00737.35 C ATOM 28199 O6 G 01368 158.758 12.530 129.585 1.00737.35 O ATOM 28200 N1 G 01368 160.586 13.824 129.173 1.00737.35 N ATOM 28201 C2 G 01368 161.272 14.791 128.485 1.00737.35 C ATOM 28202 N2 G 01368 162.522 15.045 128.903 1.00737.35 N ATOM 28203 N3 G 01368 160.773 15.462 127.461 1.00737.35 N ATOM 28204 C4 G 01368 159.509 15.083 127.175 1.00737.35 C ATOM 28205 P G 01369 159.478 14.554 120.930 1.00737.35 P ATOM 28206 O1P G 01369 159.791 14.879 119.514 1.00737.35 O ATOM 28207 O2P G 01369 158.457 13.519 121.235 1.00737.35 O ATOM 28208 O5* G 01369 160.836 14.148 121.660 1.00737.35 O ATOM 28209 C5* G 01369 162.008 14.948 121.525 1.00737.35 C ATOM 28210 C4* G 01369 163.115 14.417 122.409 1.00737.35 C ATOM 28211 O4* G 01369 162.717 14.523 123.800 1.00737.35 O ATOM 28212 C3* G 01369 163.462 12.947 122.227 1.00737.35 C ATOM 28213 O3* G 01369 164.374 12.772 121.146 1.00737.35 O ATOM 28214 C2* G 01369 164.099 12.598 123.568 1.00737.35 C ATOM 28215 O2* G 01369 165.458 12.981 123.654 1.00737.35 O ATOM 28216 C1* G 01369 163.263 13.441 124.536 1.00737.35 C ATOM 28217 N9 G 01369 162.171 12.707 125.173 1.00737.35 N ATOM 28218 C8 G 01369 160.829 12.797 124.885 1.00737.35 C ATOM 28219 N7 G 01369 160.090 12.022 125.633 1.00737.35 N ATOM 28220 C5 G 01369 160.997 11.378 126.464 1.00737.35 C ATOM 28221 C6 G 01369 160.784 10.418 127.489 1.00737.35 C ATOM 28222 O6 G 01369 159.716 9.931 127.882 1.00737.35 O ATOM 28223 N1 G 01369 161.982 10.026 128.077 1.00737.35 N ATOM 28224 C2 G 01369 163.224 10.496 127.729 1.00737.35 C ATOM 28225 N2 G 01369 164.261 9.988 128.416 1.00737.35 N ATOM 28226 N3 G 01369 163.436 11.392 126.780 1.00737.35 N ATOM 28227 C4 G 01369 162.286 11.788 126.191 1.00737.35 C ATOM 28228 P U 01370 164.332 11.420 120.277 1.00737.35 P ATOM 28229 O1P U 01370 165.380 11.535 119.231 1.00737.35 O ATOM 28230 O2P U 01370 162.925 11.157 119.880 1.00737.35 O ATOM 28231 O5* U 01370 164.778 10.285 121.306 1.00737.35 O ATOM 28232 C5* U 01370 166.090 10.272 121.862 1.00737.35 C ATOM 28233 C4* U 01370 166.156 9.318 123.035 1.00737.35 C ATOM 28234 O4* U 01370 165.258 9.782 124.077 1.00737.35 O ATOM 28235 C3* U 01370 165.705 7.893 122.747 1.00737.35 C ATOM 28236 O3* U 01370 166.772 7.116 122.214 1.00737.35 O ATOM 28237 C2* U 01370 165.280 7.405 124.127 1.00737.35 C ATOM 28238 O2* U 01370 166.366 6.995 124.932 1.00737.35 O ATOM 28239 C1* U 01370 164.648 8.670 124.714 1.00737.35 C ATOM 28240 N1 U 01370 163.189 8.752 124.517 1.00737.35 N ATOM 28241 C2 U 01370 162.373 8.092 125.425 1.00737.35 C ATOM 28242 O2 U 01370 162.805 7.447 126.368 1.00737.35 O ATOM 28243 N3 U 01370 161.025 8.214 125.183 1.00737.35 N ATOM 28244 C4 U 01370 160.422 8.910 124.157 1.00737.35 C ATOM 28245 O4 U 01370 159.193 8.931 124.081 1.00737.35 O ATOM 28246 C5 U 01370 161.327 9.560 123.263 1.00737.35 C ATOM 28247 C6 U 01370 162.646 9.462 123.467 1.00737.35 C ATOM 28248 P G 01371 166.448 5.863 121.259 1.00737.35 P ATOM 28249 O1P G 01371 167.748 5.264 120.859 1.00737.35 O ATOM 28250 O2P G 01371 165.491 6.301 120.211 1.00737.35 O ATOM 28251 O5* G 01371 165.699 4.833 122.218 1.00737.35 O ATOM 28252 C5* G 01371 166.375 4.224 123.318 1.00737.35 C ATOM 28253 C4* G 01371 165.383 3.539 124.231 1.00737.35 C ATOM 28254 O4* G 01371 164.470 4.530 124.775 1.00737.35 O ATOM 28255 C3* G 01371 164.474 2.514 123.569 1.00737.35 C ATOM 28256 O3* G 01371 165.099 1.239 123.493 1.00737.35 O ATOM 28257 C2* G 01371 163.276 2.494 124.509 1.00737.35 C ATOM 28258 O2* G 01371 163.489 1.705 125.661 1.00737.35 O ATOM 28259 C1* G 01371 163.173 3.969 124.901 1.00737.35 C ATOM 28260 N9 G 01371 162.253 4.725 124.052 1.00737.35 N ATOM 28261 C8 G 01371 162.569 5.452 122.928 1.00737.35 C ATOM 28262 N7 G 01371 161.528 6.015 122.374 1.00737.35 N ATOM 28263 C5 G 01371 160.463 5.640 123.181 1.00737.35 C ATOM 28264 C6 G 01371 159.082 5.949 123.081 1.00737.35 C ATOM 28265 O6 G 01371 158.505 6.639 122.232 1.00737.35 O ATOM 28266 N1 G 01371 158.351 5.363 124.111 1.00737.35 N ATOM 28267 C2 G 01371 158.880 4.580 125.108 1.00737.35 C ATOM 28268 N2 G 01371 158.010 4.109 126.011 1.00737.35 N ATOM 28269 N3 G 01371 160.166 4.285 125.213 1.00737.35 N ATOM 28270 C4 G 01371 160.895 4.845 124.223 1.00737.35 C ATOM 28271 P A 01372 164.720 0.234 122.296 1.00737.35 P ATOM 28272 O1P A 01372 165.593 0.572 121.140 1.00737.35 O ATOM 28273 O2P A 01372 163.244 0.242 122.125 1.00737.35 O ATOM 28274 O5* A 01372 165.141 -1.198 122.847 1.00737.35 O ATOM 28275 C5* A 01372 166.511 -1.593 122.914 1.00737.35 C ATOM 28276 C4* A 01372 166.631 -2.959 123.546 1.00737.35 C ATOM 28277 O4* A 01372 166.209 -2.884 124.934 1.00737.35 O ATOM 28278 C3* A 01372 165.746 -4.038 122.940 1.00737.35 C ATOM 28279 O3* A 01372 166.363 -4.630 121.802 1.00737.35 O ATOM 28280 C2* A 01372 165.604 -5.024 124.096 1.00737.35 C ATOM 28281 O2* A 01372 166.715 -5.891 124.226 1.00737.35 O ATOM 28282 C1* A 01372 165.538 -4.079 125.295 1.00737.35 C ATOM 28283 N9 A 01372 164.172 -3.738 125.698 1.00737.35 N ATOM 28284 C8 A 01372 163.345 -2.779 125.162 1.00737.35 C ATOM 28285 N7 A 01372 162.172 -2.711 125.738 1.00737.35 N ATOM 28286 C5 A 01372 162.224 -3.689 126.723 1.00737.35 C ATOM 28287 C6 A 01372 161.289 -4.115 127.683 1.00737.35 C ATOM 28288 N6 A 01372 160.069 -3.591 127.813 1.00737.35 N ATOM 28289 N1 A 01372 161.657 -5.114 128.513 1.00737.35 N ATOM 28290 C2 A 01372 162.881 -5.641 128.382 1.00737.35 C ATOM 28291 N3 A 01372 163.846 -5.326 127.521 1.00737.35 N ATOM 28292 C4 A 01372 163.449 -4.329 126.710 1.00737.35 C ATOM 28293 P G 01373 165.504 -4.860 120.462 1.00737.35 P ATOM 28294 O1P G 01373 166.339 -5.671 119.537 1.00737.35 O ATOM 28295 O2P G 01373 164.982 -3.546 120.012 1.00737.35 O ATOM 28296 O5* G 01373 164.273 -5.751 120.938 1.00737.35 O ATOM 28297 C5* G 01373 164.474 -7.065 121.453 1.00737.35 C ATOM 28298 C4* G 01373 163.164 -7.646 121.940 1.00737.35 C ATOM 28299 O4* G 01373 162.660 -6.838 123.037 1.00737.35 O ATOM 28300 C3* G 01373 162.027 -7.655 120.931 1.00737.35 C ATOM 28301 O3* G 01373 162.095 -8.788 120.073 1.00737.35 O ATOM 28302 C2* G 01373 160.802 -7.710 121.835 1.00737.35 C ATOM 28303 O2* G 01373 160.521 -9.010 122.315 1.00737.35 O ATOM 28304 C1* G 01373 161.240 -6.811 122.994 1.00737.35 C ATOM 28305 N9 G 01373 160.800 -5.426 122.840 1.00737.35 N ATOM 28306 C8 G 01373 161.564 -4.340 122.483 1.00737.35 C ATOM 28307 N7 G 01373 160.880 -3.232 122.418 1.00737.35 N ATOM 28308 C5 G 01373 159.586 -3.604 122.757 1.00737.35 C ATOM 28309 C6 G 01373 158.402 -2.826 122.856 1.00737.35 C ATOM 28310 O6 G 01373 158.256 -1.617 122.656 1.00737.35 O ATOM 28311 N1 G 01373 157.311 -3.605 123.228 1.00737.35 N ATOM 28312 C2 G 01373 157.350 -4.956 123.474 1.00737.35 C ATOM 28313 N2 G 01373 156.189 -5.529 123.821 1.00737.35 N ATOM 28314 N3 G 01373 158.447 -5.689 123.383 1.00737.35 N ATOM 28315 C4 G 01373 159.519 -4.954 123.024 1.00737.35 C ATOM 28316 P G 01374 161.803 -8.617 118.501 1.00737.35 P ATOM 28317 O1P G 01374 161.582 -9.975 117.942 1.00737.35 O ATOM 28318 O2P G 01374 162.860 -7.750 117.922 1.00737.35 O ATOM 28319 O5* G 01374 160.422 -7.824 118.441 1.00737.35 O ATOM 28320 C5* G 01374 159.230 -8.380 118.997 1.00737.35 C ATOM 28321 C4* G 01374 158.103 -7.372 118.942 1.00737.35 C ATOM 28322 O4* G 01374 158.458 -6.210 119.739 1.00737.35 O ATOM 28323 C3* G 01374 157.791 -6.802 117.567 1.00737.35 C ATOM 28324 O3* G 01374 156.919 -7.668 116.845 1.00737.35 O ATOM 28325 C2* G 01374 157.122 -5.477 117.910 1.00737.35 C ATOM 28326 O2* G 01374 155.759 -5.615 118.259 1.00737.35 O ATOM 28327 C1* G 01374 157.926 -5.038 119.137 1.00737.35 C ATOM 28328 N9 G 01374 159.031 -4.133 118.823 1.00737.35 N ATOM 28329 C8 G 01374 160.374 -4.430 118.808 1.00737.35 C ATOM 28330 N7 G 01374 161.121 -3.407 118.492 1.00737.35 N ATOM 28331 C5 G 01374 160.223 -2.372 118.283 1.00737.35 C ATOM 28332 C6 G 01374 160.446 -1.018 117.918 1.00737.35 C ATOM 28333 O6 G 01374 161.523 -0.445 117.700 1.00737.35 O ATOM 28334 N1 G 01374 159.252 -0.312 117.813 1.00737.35 N ATOM 28335 C2 G 01374 158.002 -0.836 118.031 1.00737.35 C ATOM 28336 N2 G 01374 156.971 0.009 117.874 1.00737.35 N ATOM 28337 N3 G 01374 157.779 -2.096 118.374 1.00737.35 N ATOM 28338 C4 G 01374 158.925 -2.801 118.481 1.00737.35 C ATOM 28339 P C 01375 156.901 -7.621 115.237 1.00737.35 P ATOM 28340 O1P C 01375 155.960 -8.674 114.777 1.00737.35 O ATOM 28341 O2P C 01375 158.305 -7.630 114.749 1.00737.35 O ATOM 28342 O5* C 01375 156.264 -6.198 114.899 1.00737.35 O ATOM 28343 C5* C 01375 154.898 -5.918 115.201 1.00737.35 C ATOM 28344 C4* C 01375 154.550 -4.506 114.787 1.00737.35 C ATOM 28345 O4* C 01375 155.314 -3.566 115.587 1.00737.35 O ATOM 28346 C3* C 01375 154.883 -4.138 113.351 1.00737.35 C ATOM 28347 O3* C 01375 153.846 -4.548 112.463 1.00737.35 O ATOM 28348 C2* C 01375 155.004 -2.621 113.424 1.00737.35 C ATOM 28349 O2* C 01375 153.752 -1.962 113.388 1.00737.35 O ATOM 28350 C1* C 01375 155.651 -2.432 114.798 1.00737.35 C ATOM 28351 N1 C 01375 157.122 -2.305 114.752 1.00737.35 N ATOM 28352 C2 C 01375 157.690 -1.048 114.465 1.00737.35 C ATOM 28353 O2 C 01375 156.942 -0.076 114.258 1.00737.35 O ATOM 28354 N3 C 01375 159.037 -0.928 114.425 1.00737.35 N ATOM 28355 C4 C 01375 159.811 -1.991 114.650 1.00737.35 C ATOM 28356 N4 C 01375 161.134 -1.821 114.600 1.00737.35 N ATOM 28357 C5 C 01375 159.266 -3.276 114.939 1.00737.35 C ATOM 28358 C6 C 01375 157.931 -3.387 114.980 1.00737.35 C ATOM 28359 P C 01376 154.206 -4.958 110.952 1.00737.35 P ATOM 28360 O1P C 01376 152.923 -5.245 110.258 1.00737.35 O ATOM 28361 O2P C 01376 155.270 -5.996 110.985 1.00737.35 O ATOM 28362 O5* C 01376 154.813 -3.623 110.330 1.00737.35 O ATOM 28363 C5* C 01376 155.671 -3.663 109.194 1.00737.35 C ATOM 28364 C4* C 01376 155.957 -2.261 108.708 1.00737.35 C ATOM 28365 O4* C 01376 156.478 -1.467 109.806 1.00737.35 O ATOM 28366 C3* C 01376 157.016 -2.149 107.623 1.00737.35 C ATOM 28367 O3* C 01376 156.454 -2.370 106.334 1.00737.35 O ATOM 28368 C2* C 01376 157.506 -0.716 107.799 1.00737.35 C ATOM 28369 O2* C 01376 156.653 0.240 107.197 1.00737.35 O ATOM 28370 C1* C 01376 157.461 -0.564 109.321 1.00737.35 C ATOM 28371 N1 C 01376 158.747 -0.862 109.984 1.00737.35 N ATOM 28372 C2 C 01376 159.692 0.168 110.129 1.00737.35 C ATOM 28373 O2 C 01376 159.425 1.303 109.700 1.00737.35 O ATOM 28374 N3 C 01376 160.873 -0.102 110.735 1.00737.35 N ATOM 28375 C4 C 01376 161.126 -1.333 111.186 1.00737.35 C ATOM 28376 N4 C 01376 162.303 -1.551 111.775 1.00737.35 N ATOM 28377 C5 C 01376 160.185 -2.394 111.051 1.00737.35 C ATOM 28378 C6 C 01376 159.022 -2.118 110.451 1.00737.35 C ATOM 28379 P G 01377 157.368 -2.975 105.157 1.00737.35 P ATOM 28380 O1P G 01377 156.490 -3.176 103.975 1.00737.35 O ATOM 28381 O2P G 01377 158.137 -4.124 105.699 1.00737.35 O ATOM 28382 O5* G 01377 158.394 -1.802 104.823 1.00737.35 O ATOM 28383 C5* G 01377 157.938 -0.562 104.284 1.00737.35 C ATOM 28384 C4* G 01377 159.063 0.451 104.269 1.00737.35 C ATOM 28385 O4* G 01377 159.494 0.708 105.631 1.00737.35 O ATOM 28386 C3* G 01377 160.330 0.021 103.547 1.00737.35 C ATOM 28387 O3* G 01377 160.233 0.268 102.146 1.00737.35 O ATOM 28388 C2* G 01377 161.387 0.900 104.203 1.00737.35 C ATOM 28389 O2* G 01377 161.426 2.211 103.676 1.00737.35 O ATOM 28390 C1* G 01377 160.896 0.936 105.651 1.00737.35 C ATOM 28391 N9 G 01377 161.518 -0.081 106.497 1.00737.35 N ATOM 28392 C8 G 01377 161.018 -1.321 106.817 1.00737.35 C ATOM 28393 N7 G 01377 161.813 -2.010 107.590 1.00737.35 N ATOM 28394 C5 G 01377 162.903 -1.176 107.795 1.00737.35 C ATOM 28395 C6 G 01377 164.089 -1.381 108.548 1.00737.35 C ATOM 28396 O6 G 01377 164.422 -2.372 109.208 1.00737.35 O ATOM 28397 N1 G 01377 164.932 -0.275 108.485 1.00737.35 N ATOM 28398 C2 G 01377 164.669 0.878 107.787 1.00737.35 C ATOM 28399 N2 G 01377 165.610 1.832 107.847 1.00737.35 N ATOM 28400 N3 G 01377 163.569 1.082 107.082 1.00737.35 N ATOM 28401 C4 G 01377 162.736 0.021 107.129 1.00737.35 C ATOM 28402 P A 01378 160.908 -0.758 101.108 1.00737.35 P ATOM 28403 O1P A 01378 160.650 -0.232 99.743 1.00737.35 O ATOM 28404 O2P A 01378 160.471 -2.134 101.457 1.00737.35 O ATOM 28405 O5* A 01378 162.471 -0.632 101.396 1.00737.35 O ATOM 28406 C5* A 01378 163.366 -1.690 101.062 1.00737.35 C ATOM 28407 C4* A 01378 164.775 -1.162 100.900 1.00737.35 C ATOM 28408 O4* A 01378 164.818 -0.243 99.777 1.00737.35 O ATOM 28409 C3* A 01378 165.328 -0.355 102.063 1.00737.35 C ATOM 28410 O3* A 01378 165.861 -1.207 103.076 1.00737.35 O ATOM 28411 C2* A 01378 166.411 0.480 101.390 1.00737.35 C ATOM 28412 O2* A 01378 167.618 -0.229 101.194 1.00737.35 O ATOM 28413 C1* A 01378 165.761 0.785 100.037 1.00737.35 C ATOM 28414 N9 A 01378 165.067 2.075 100.001 1.00737.35 N ATOM 28415 C8 A 01378 163.732 2.329 100.205 1.00737.35 C ATOM 28416 N7 A 01378 163.413 3.595 100.104 1.00737.35 N ATOM 28417 C5 A 01378 164.619 4.221 99.816 1.00737.35 C ATOM 28418 C6 A 01378 164.955 5.567 99.588 1.00737.35 C ATOM 28419 N6 A 01378 164.070 6.569 99.619 1.00737.35 N ATOM 28420 N1 A 01378 166.247 5.856 99.326 1.00737.35 N ATOM 28421 C2 A 01378 167.134 4.852 99.296 1.00737.35 C ATOM 28422 N3 A 01378 166.941 3.551 99.491 1.00737.35 N ATOM 28423 C4 A 01378 165.646 3.297 99.750 1.00737.35 C ATOM 28424 P A 01379 166.003 -0.663 104.584 1.00737.35 P ATOM 28425 O1P A 01379 165.962 -1.844 105.484 1.00737.35 O ATOM 28426 O2P A 01379 165.030 0.442 104.781 1.00737.35 O ATOM 28427 O5* A 01379 167.470 -0.043 104.636 1.00737.35 O ATOM 28428 C5* A 01379 168.623 -0.881 104.713 1.00737.35 C ATOM 28429 C4* A 01379 169.880 -0.043 104.773 1.00737.35 C ATOM 28430 O4* A 01379 170.015 0.710 103.539 1.00737.35 O ATOM 28431 C3* A 01379 169.922 1.012 105.869 1.00737.35 C ATOM 28432 O3* A 01379 170.375 0.452 107.099 1.00737.35 O ATOM 28433 C2* A 01379 170.918 2.023 105.306 1.00737.35 C ATOM 28434 O2* A 01379 172.266 1.640 105.506 1.00737.35 O ATOM 28435 C1* A 01379 170.582 1.980 103.816 1.00737.35 C ATOM 28436 N9 A 01379 169.627 3.012 103.397 1.00737.35 N ATOM 28437 C8 A 01379 168.254 2.949 103.414 1.00737.35 C ATOM 28438 N7 A 01379 167.672 4.039 102.976 1.00737.35 N ATOM 28439 C5 A 01379 168.730 4.875 102.647 1.00737.35 C ATOM 28440 C6 A 01379 168.775 6.180 102.125 1.00737.35 C ATOM 28441 N6 A 01379 167.690 6.901 101.831 1.00737.35 N ATOM 28442 N1 A 01379 169.992 6.728 101.913 1.00737.35 N ATOM 28443 C2 A 01379 171.079 6.005 102.209 1.00737.35 C ATOM 28444 N3 A 01379 171.165 4.772 102.703 1.00737.35 N ATOM 28445 C4 A 01379 169.940 4.256 102.902 1.00737.35 C ATOM 28446 P C 01380 169.757 0.969 108.491 1.00737.35 P ATOM 28447 O1P C 01380 170.380 0.167 109.574 1.00737.35 O ATOM 28448 O2P C 01380 168.277 1.001 108.364 1.00737.35 O ATOM 28449 O5* C 01380 170.278 2.471 108.615 1.00737.35 O ATOM 28450 C5* C 01380 171.648 2.754 108.895 1.00737.35 C ATOM 28451 C4* C 01380 171.917 4.235 108.765 1.00737.35 C ATOM 28452 O4* C 01380 171.645 4.650 107.400 1.00737.35 O ATOM 28453 C3* C 01380 171.044 5.147 109.614 1.00737.35 C ATOM 28454 O3* C 01380 171.577 5.297 110.927 1.00737.35 O ATOM 28455 C2* C 01380 171.110 6.461 108.846 1.00737.35 C ATOM 28456 O2* C 01380 172.282 7.205 109.113 1.00737.35 O ATOM 28457 C1* C 01380 171.128 5.970 107.397 1.00737.35 C ATOM 28458 N1 C 01380 169.794 5.959 106.761 1.00737.35 N ATOM 28459 C2 C 01380 169.356 7.111 106.086 1.00737.35 C ATOM 28460 O2 C 01380 170.099 8.106 106.033 1.00737.35 O ATOM 28461 N3 C 01380 168.132 7.112 105.507 1.00737.35 N ATOM 28462 C4 C 01380 167.359 6.027 105.582 1.00737.35 C ATOM 28463 N4 C 01380 166.160 6.072 104.996 1.00737.35 N ATOM 28464 C5 C 01380 167.778 4.845 106.260 1.00737.35 C ATOM 28465 C6 C 01380 168.991 4.854 106.829 1.00737.35 C ATOM 28466 P G 01381 170.655 4.990 112.213 1.00737.35 P ATOM 28467 O1P G 01381 171.254 5.709 113.366 1.00737.35 O ATOM 28468 O2P G 01381 170.453 3.522 112.295 1.00737.35 O ATOM 28469 O5* G 01381 169.249 5.667 111.885 1.00737.35 O ATOM 28470 C5* G 01381 169.163 7.022 111.447 1.00737.35 C ATOM 28471 C4* G 01381 167.765 7.324 110.956 1.00737.35 C ATOM 28472 O4* G 01381 167.401 6.339 109.949 1.00737.35 O ATOM 28473 C3* G 01381 166.664 7.219 111.999 1.00737.35 C ATOM 28474 O3* G 01381 166.528 8.435 112.730 1.00737.35 O ATOM 28475 C2* G 01381 165.439 6.929 111.140 1.00737.35 C ATOM 28476 O2* G 01381 164.915 8.080 110.506 1.00737.35 O ATOM 28477 C1* G 01381 166.033 5.986 110.092 1.00737.35 C ATOM 28478 N9 G 01381 165.955 4.582 110.492 1.00737.35 N ATOM 28479 C8 G 01381 166.971 3.800 110.989 1.00737.35 C ATOM 28480 N7 G 01381 166.593 2.585 111.273 1.00737.35 N ATOM 28481 C5 G 01381 165.245 2.559 110.945 1.00737.35 C ATOM 28482 C6 G 01381 164.298 1.506 111.040 1.00737.35 C ATOM 28483 O6 G 01381 164.466 0.350 111.449 1.00737.35 O ATOM 28484 N1 G 01381 163.042 1.909 110.597 1.00737.35 N ATOM 28485 C2 G 01381 162.734 3.160 110.126 1.00737.35 C ATOM 28486 N2 G 01381 161.463 3.352 109.745 1.00737.35 N ATOM 28487 N3 G 01381 163.605 4.151 110.034 1.00737.35 N ATOM 28488 C4 G 01381 164.834 3.782 110.456 1.00737.35 C ATOM 28489 P G 01382 165.805 8.429 114.167 1.00737.35 P ATOM 28490 O1P G 01382 165.936 9.798 114.730 1.00737.35 O ATOM 28491 O2P G 01382 166.308 7.267 114.945 1.00737.35 O ATOM 28492 O5* G 01382 164.269 8.176 113.826 1.00737.35 O ATOM 28493 C5* G 01382 163.535 9.101 113.025 1.00737.35 C ATOM 28494 C4* G 01382 162.147 8.574 112.745 1.00737.35 C ATOM 28495 O4* G 01382 162.240 7.328 112.005 1.00737.35 O ATOM 28496 C3* G 01382 161.307 8.219 113.964 1.00737.35 C ATOM 28497 O3* G 01382 160.665 9.378 114.491 1.00737.35 O ATOM 28498 C2* G 01382 160.305 7.226 113.387 1.00737.35 C ATOM 28499 O2* G 01382 159.227 7.851 112.718 1.00737.35 O ATOM 28500 C1* G 01382 161.169 6.471 112.376 1.00737.35 C ATOM 28501 N9 G 01382 161.723 5.224 112.896 1.00737.35 N ATOM 28502 C8 G 01382 163.014 4.996 113.318 1.00737.35 C ATOM 28503 N7 G 01382 163.211 3.773 113.729 1.00737.35 N ATOM 28504 C5 G 01382 161.979 3.151 113.568 1.00737.35 C ATOM 28505 C6 G 01382 161.581 1.817 113.845 1.00737.35 C ATOM 28506 O6 G 01382 162.256 0.887 114.300 1.00737.35 O ATOM 28507 N1 G 01382 160.239 1.611 113.537 1.00737.35 N ATOM 28508 C2 G 01382 159.389 2.564 113.028 1.00737.35 C ATOM 28509 N2 G 01382 158.127 2.169 112.800 1.00737.35 N ATOM 28510 N3 G 01382 159.750 3.809 112.764 1.00737.35 N ATOM 28511 C4 G 01382 161.048 4.032 113.055 1.00737.35 C ATOM 28512 P C 01383 160.206 9.405 116.032 1.00737.35 P ATOM 28513 O1P C 01383 159.665 10.761 116.306 1.00737.35 O ATOM 28514 O2P C 01383 161.317 8.877 116.866 1.00737.35 O ATOM 28515 O5* C 01383 158.999 8.365 116.091 1.00737.35 O ATOM 28516 C5* C 01383 157.778 8.617 115.400 1.00737.35 C ATOM 28517 C4* C 01383 156.842 7.439 115.538 1.00737.35 C ATOM 28518 O4* C 01383 157.430 6.276 114.897 1.00737.35 O ATOM 28519 C3* C 01383 156.558 6.982 116.961 1.00737.35 C ATOM 28520 O3* C 01383 155.508 7.750 117.541 1.00737.35 O ATOM 28521 C2* C 01383 156.153 5.526 116.760 1.00737.35 C ATOM 28522 O2* C 01383 154.804 5.375 116.362 1.00737.35 O ATOM 28523 C1* C 01383 157.079 5.105 115.617 1.00737.35 C ATOM 28524 N1 C 01383 158.318 4.432 116.067 1.00737.35 N ATOM 28525 C2 C 01383 158.275 3.059 116.369 1.00737.35 C ATOM 28526 O2 C 01383 157.199 2.444 116.264 1.00737.35 O ATOM 28527 N3 C 01383 159.409 2.439 116.772 1.00737.35 N ATOM 28528 C4 C 01383 160.547 3.128 116.880 1.00737.35 C ATOM 28529 N4 C 01383 161.638 2.470 117.278 1.00737.35 N ATOM 28530 C5 C 01383 160.617 4.518 116.586 1.00737.35 C ATOM 28531 C6 C 01383 159.492 5.125 116.185 1.00737.35 C ATOM 28532 P G 01384 155.510 8.035 119.123 1.00737.35 P ATOM 28533 O1P G 01384 154.277 8.805 119.434 1.00737.35 O ATOM 28534 O2P G 01384 156.834 8.590 119.501 1.00737.35 O ATOM 28535 O5* G 01384 155.371 6.587 119.776 1.00737.35 O ATOM 28536 C5* G 01384 154.194 5.804 119.584 1.00737.35 C ATOM 28537 C4* G 01384 154.420 4.392 120.073 1.00737.35 C ATOM 28538 O4* G 01384 155.462 3.769 119.275 1.00737.35 O ATOM 28539 C3* G 01384 154.911 4.262 121.506 1.00737.35 C ATOM 28540 O3* G 01384 153.818 4.284 122.421 1.00737.35 O ATOM 28541 C2* G 01384 155.618 2.914 121.488 1.00737.35 C ATOM 28542 O2* G 01384 154.731 1.818 121.601 1.00737.35 O ATOM 28543 C1* G 01384 156.253 2.925 120.096 1.00737.35 C ATOM 28544 N9 G 01384 157.626 3.425 120.084 1.00737.35 N ATOM 28545 C8 G 01384 158.040 4.712 119.827 1.00737.35 C ATOM 28546 N7 G 01384 159.336 4.856 119.889 1.00737.35 N ATOM 28547 C5 G 01384 159.808 3.592 120.208 1.00737.35 C ATOM 28548 C6 G 01384 161.137 3.131 120.406 1.00737.35 C ATOM 28549 O6 G 01384 162.192 3.770 120.336 1.00737.35 O ATOM 28550 N1 G 01384 161.166 1.774 120.713 1.00737.35 N ATOM 28551 C2 G 01384 160.063 0.964 120.817 1.00737.35 C ATOM 28552 N2 G 01384 160.301 -0.320 121.121 1.00737.35 N ATOM 28553 N3 G 01384 158.821 1.379 120.632 1.00737.35 N ATOM 28554 C4 G 01384 158.768 2.695 120.333 1.00737.35 C ATOM 28555 P C 01385 154.053 4.754 123.942 1.00737.35 P ATOM 28556 O1P C 01385 152.911 5.627 124.311 1.00737.35 O ATOM 28557 O2P C 01385 155.441 5.266 124.086 1.00737.35 O ATOM 28558 O5* C 01385 153.940 3.403 124.780 1.00737.35 O ATOM 28559 C5* C 01385 152.680 2.765 124.976 1.00737.35 C ATOM 28560 C4* C 01385 152.842 1.530 125.834 1.00737.35 C ATOM 28561 O4* C 01385 153.637 0.546 125.123 1.00737.35 O ATOM 28562 C3* C 01385 153.579 1.731 127.149 1.00737.35 C ATOM 28563 O3* C 01385 152.694 2.203 128.161 1.00737.35 O ATOM 28564 C2* C 01385 154.097 0.331 127.449 1.00737.35 C ATOM 28565 O2* C 01385 153.120 -0.511 128.032 1.00737.35 O ATOM 28566 C1* C 01385 154.442 -0.175 126.044 1.00737.35 C ATOM 28567 N1 C 01385 155.862 0.007 125.679 1.00737.35 N ATOM 28568 C2 C 01385 156.794 -0.974 126.064 1.00737.35 C ATOM 28569 O2 C 01385 156.404 -1.964 126.703 1.00737.35 O ATOM 28570 N3 C 01385 158.095 -0.813 125.730 1.00737.35 N ATOM 28571 C4 C 01385 158.481 0.265 125.043 1.00737.35 C ATOM 28572 N4 C 01385 159.776 0.379 124.734 1.00737.35 N ATOM 28573 C5 C 01385 157.559 1.274 124.642 1.00737.35 C ATOM 28574 C6 C 01385 156.274 1.108 124.976 1.00737.35 C ATOM 28575 P A 01386 153.247 3.180 129.315 1.00737.35 P ATOM 28576 O1P A 01386 152.086 3.573 130.154 1.00737.35 O ATOM 28577 O2P A 01386 154.080 4.233 128.679 1.00737.35 O ATOM 28578 O5* A 01386 154.202 2.246 130.184 1.00737.35 O ATOM 28579 C5* A 01386 153.667 1.205 130.997 1.00737.35 C ATOM 28580 C4* A 01386 154.781 0.353 131.560 1.00737.35 C ATOM 28581 O4* A 01386 155.481 -0.305 130.470 1.00737.35 O ATOM 28582 C3* A 01386 155.874 1.100 132.309 1.00737.35 C ATOM 28583 O3* A 01386 155.506 1.331 133.666 1.00737.35 O ATOM 28584 C2* A 01386 157.054 0.142 132.194 1.00737.35 C ATOM 28585 O2* A 01386 157.003 -0.918 133.129 1.00737.35 O ATOM 28586 C1* A 01386 156.862 -0.405 130.778 1.00737.35 C ATOM 28587 N9 A 01386 157.618 0.339 129.768 1.00737.35 N ATOM 28588 C8 A 01386 157.193 1.393 128.993 1.00737.35 C ATOM 28589 N7 A 01386 158.108 1.856 128.179 1.00737.35 N ATOM 28590 C5 A 01386 159.214 1.056 128.433 1.00737.35 C ATOM 28591 C6 A 01386 160.512 1.039 127.894 1.00737.35 C ATOM 28592 N6 A 01386 160.934 1.885 126.951 1.00737.35 N ATOM 28593 N1 A 01386 161.377 0.114 128.365 1.00737.35 N ATOM 28594 C2 A 01386 160.955 -0.733 129.311 1.00737.35 C ATOM 28595 N3 A 01386 159.762 -0.816 129.896 1.00737.35 N ATOM 28596 C4 A 01386 158.926 0.117 129.408 1.00737.35 C ATOM 28597 P G 01387 155.964 2.689 134.397 1.00737.35 P ATOM 28598 O1P G 01387 155.555 2.584 135.821 1.00737.35 O ATOM 28599 O2P G 01387 155.495 3.839 133.583 1.00737.35 O ATOM 28600 O5* G 01387 157.556 2.649 134.328 1.00737.35 O ATOM 28601 C5* G 01387 158.296 1.639 135.016 1.00737.35 C ATOM 28602 C4* G 01387 159.728 1.615 134.533 1.00737.35 C ATOM 28603 O4* G 01387 159.749 1.296 133.115 1.00737.35 O ATOM 28604 C3* G 01387 160.486 2.929 134.628 1.00737.35 C ATOM 28605 O3* G 01387 161.037 3.116 135.928 1.00737.35 O ATOM 28606 C2* G 01387 161.569 2.751 133.572 1.00737.35 C ATOM 28607 O2* G 01387 162.656 1.963 134.012 1.00737.35 O ATOM 28608 C1* G 01387 160.800 2.007 132.477 1.00737.35 C ATOM 28609 N9 G 01387 160.221 2.905 131.480 1.00737.35 N ATOM 28610 C8 G 01387 158.924 3.363 131.425 1.00737.35 C ATOM 28611 N7 G 01387 158.705 4.163 130.416 1.00737.35 N ATOM 28612 C5 G 01387 159.930 4.238 129.766 1.00737.35 C ATOM 28613 C6 G 01387 160.309 4.958 128.603 1.00737.35 C ATOM 28614 O6 G 01387 159.618 5.701 127.897 1.00737.35 O ATOM 28615 N1 G 01387 161.648 4.750 128.290 1.00737.35 N ATOM 28616 C2 G 01387 162.512 3.954 128.999 1.00737.35 C ATOM 28617 N2 G 01387 163.768 3.883 128.534 1.00737.35 N ATOM 28618 N3 G 01387 162.173 3.278 130.083 1.00737.35 N ATOM 28619 C4 G 01387 160.874 3.465 130.408 1.00737.35 C ATOM 28620 P C 01388 161.348 4.605 136.456 1.00737.35 P ATOM 28621 O1P C 01388 161.935 4.477 137.815 1.00737.35 O ATOM 28622 O2P C 01388 160.132 5.435 136.259 1.00737.35 O ATOM 28623 O5* C 01388 162.481 5.137 135.469 1.00737.35 O ATOM 28624 C5* C 01388 163.765 4.517 135.427 1.00737.35 C ATOM 28625 C4* C 01388 164.623 5.151 134.355 1.00737.35 C ATOM 28626 O4* C 01388 164.024 4.924 133.050 1.00737.35 O ATOM 28627 C3* C 01388 164.777 6.661 134.431 1.00737.35 C ATOM 28628 O3* C 01388 165.798 7.026 135.357 1.00737.35 O ATOM 28629 C2* C 01388 165.154 7.019 132.997 1.00737.35 C ATOM 28630 O2* C 01388 166.525 6.808 132.714 1.00737.35 O ATOM 28631 C1* C 01388 164.302 6.028 132.200 1.00737.35 C ATOM 28632 N1 C 01388 163.026 6.599 131.721 1.00737.35 N ATOM 28633 C2 C 01388 163.018 7.331 130.520 1.00737.35 C ATOM 28634 O2 C 01388 164.080 7.481 129.893 1.00737.35 O ATOM 28635 N3 C 01388 161.854 7.856 130.075 1.00737.35 N ATOM 28636 C4 C 01388 160.730 7.679 130.773 1.00737.35 C ATOM 28637 N4 C 01388 159.607 8.219 130.292 1.00737.35 N ATOM 28638 C5 C 01388 160.709 6.943 131.993 1.00737.35 C ATOM 28639 C6 C 01388 161.866 6.427 132.426 1.00737.35 C ATOM 28640 P C 01389 165.742 8.457 136.082 1.00737.35 P ATOM 28641 O1P C 01389 166.889 8.519 137.023 1.00737.35 O ATOM 28642 O2P C 01389 164.364 8.671 136.596 1.00737.35 O ATOM 28643 O5* C 01389 166.002 9.496 134.903 1.00737.35 O ATOM 28644 C5* C 01389 167.280 9.589 134.278 1.00737.35 C ATOM 28645 C4* C 01389 167.281 10.687 133.239 1.00737.35 C ATOM 28646 O4* C 01389 166.395 10.330 132.149 1.00737.35 O ATOM 28647 C3* C 01389 166.777 12.043 133.707 1.00737.35 C ATOM 28648 O3* C 01389 167.819 12.773 134.349 1.00737.35 O ATOM 28649 C2* C 01389 166.347 12.701 132.399 1.00737.35 C ATOM 28650 O2* C 01389 167.424 13.285 131.692 1.00737.35 O ATOM 28651 C1* C 01389 165.805 11.503 131.611 1.00737.35 C ATOM 28652 N1 C 01389 164.335 11.363 131.654 1.00737.35 N ATOM 28653 C2 C 01389 163.557 12.105 130.749 1.00737.35 C ATOM 28654 O2 C 01389 164.123 12.869 129.948 1.00737.35 O ATOM 28655 N3 C 01389 162.211 11.973 130.772 1.00737.35 N ATOM 28656 C4 C 01389 161.634 11.148 131.648 1.00737.35 C ATOM 28657 N4 C 01389 160.304 11.047 131.627 1.00737.35 N ATOM 28658 C5 C 01389 162.398 10.387 132.583 1.00737.35 C ATOM 28659 C6 C 01389 163.730 10.524 132.552 1.00737.35 C ATOM 28660 P G 01390 167.485 13.690 135.627 1.00737.35 P ATOM 28661 O1P G 01390 168.761 14.297 136.081 1.00737.35 O ATOM 28662 O2P G 01390 166.674 12.889 136.582 1.00737.35 O ATOM 28663 O5* G 01390 166.560 14.849 135.040 1.00737.35 O ATOM 28664 C5* G 01390 167.070 15.786 134.095 1.00737.35 C ATOM 28665 C4* G 01390 165.939 16.571 133.472 1.00737.35 C ATOM 28666 O4* G 01390 165.072 15.661 132.748 1.00737.35 O ATOM 28667 C3* G 01390 165.015 17.280 134.452 1.00737.35 C ATOM 28668 O3* G 01390 165.540 18.556 134.810 1.00737.35 O ATOM 28669 C2* G 01390 163.727 17.401 133.647 1.00737.35 C ATOM 28670 O2* G 01390 163.740 18.480 132.732 1.00737.35 O ATOM 28671 C1* G 01390 163.723 16.074 132.881 1.00737.35 C ATOM 28672 N9 G 01390 162.981 15.012 133.557 1.00737.35 N ATOM 28673 C8 G 01390 163.433 14.197 134.567 1.00737.35 C ATOM 28674 N7 G 01390 162.535 13.341 134.974 1.00737.35 N ATOM 28675 C5 G 01390 161.423 13.607 134.188 1.00737.35 C ATOM 28676 C6 G 01390 160.143 12.998 134.172 1.00737.35 C ATOM 28677 O6 G 01390 159.720 12.071 134.875 1.00737.35 O ATOM 28678 N1 G 01390 159.313 13.575 133.218 1.00737.35 N ATOM 28679 C2 G 01390 159.669 14.605 132.383 1.00737.35 C ATOM 28680 N2 G 01390 158.724 15.025 131.526 1.00737.35 N ATOM 28681 N3 G 01390 160.858 15.182 132.385 1.00737.35 N ATOM 28682 C4 G 01390 161.681 14.636 133.307 1.00737.35 C ATOM 28683 P A 01391 165.229 19.168 136.264 1.00737.35 P ATOM 28684 O1P A 01391 165.964 18.343 137.257 1.00737.35 O ATOM 28685 O2P A 01391 163.757 19.332 136.393 1.00737.35 O ATOM 28686 O5* A 01391 165.912 20.607 136.215 1.00737.35 O ATOM 28687 C5* A 01391 165.238 21.770 136.701 1.00737.35 C ATOM 28688 C4* A 01391 164.585 22.501 135.554 1.00737.35 C ATOM 28689 O4* A 01391 163.601 21.622 134.941 1.00737.35 O ATOM 28690 C3* A 01391 163.809 23.762 135.911 1.00737.35 C ATOM 28691 O3* A 01391 164.696 24.881 135.957 1.00737.35 O ATOM 28692 C2* A 01391 162.801 23.845 134.772 1.00737.35 C ATOM 28693 O2* A 01391 163.357 24.365 133.579 1.00737.35 O ATOM 28694 C1* A 01391 162.456 22.367 134.571 1.00737.35 C ATOM 28695 N9 A 01391 161.329 21.914 135.389 1.00737.35 N ATOM 28696 C8 A 01391 161.371 21.371 136.651 1.00737.35 C ATOM 28697 N7 A 01391 160.192 21.060 137.131 1.00737.35 N ATOM 28698 C5 A 01391 159.314 21.423 136.121 1.00737.35 C ATOM 28699 C6 A 01391 157.915 21.348 136.016 1.00737.35 C ATOM 28700 N6 A 01391 157.122 20.861 136.974 1.00737.35 N ATOM 28701 N1 A 01391 157.345 21.797 134.875 1.00737.35 N ATOM 28702 C2 A 01391 158.141 22.283 133.913 1.00737.35 C ATOM 28703 N3 A 01391 159.466 22.402 133.895 1.00737.35 N ATOM 28704 C4 A 01391 160.000 21.950 135.041 1.00737.35 C ATOM 28705 P U 01392 164.116 26.381 136.093 1.00737.35 P ATOM 28706 O1P U 01392 163.546 26.763 134.775 1.00737.35 O ATOM 28707 O2P U 01392 165.188 27.217 136.691 1.00737.35 O ATOM 28708 O5* U 01392 162.916 26.285 137.139 1.00737.35 O ATOM 28709 C5* U 01392 162.564 27.413 137.942 1.00737.35 C ATOM 28710 C4* U 01392 161.103 27.767 137.770 1.00737.35 C ATOM 28711 O4* U 01392 160.824 28.015 136.369 1.00737.35 O ATOM 28712 C3* U 01392 160.091 26.706 138.175 1.00737.35 C ATOM 28713 O3* U 01392 159.821 26.811 139.570 1.00737.35 O ATOM 28714 C2* U 01392 158.855 27.100 137.365 1.00737.35 C ATOM 28715 O2* U 01392 158.078 28.100 137.995 1.00737.35 O ATOM 28716 C1* U 01392 159.475 27.679 136.089 1.00737.35 C ATOM 28717 N1 U 01392 159.427 26.803 134.905 1.00737.35 N ATOM 28718 C2 U 01392 158.179 26.495 134.371 1.00737.35 C ATOM 28719 O2 U 01392 157.131 26.907 134.846 1.00737.35 O ATOM 28720 N3 U 01392 158.205 25.689 133.262 1.00737.35 N ATOM 28721 C4 U 01392 159.317 25.166 132.637 1.00737.35 C ATOM 28722 O4 U 01392 159.175 24.452 131.643 1.00737.35 O ATOM 28723 C5 U 01392 160.561 25.522 133.240 1.00737.35 C ATOM 28724 C6 U 01392 160.574 26.303 134.327 1.00737.35 C ATOM 28725 P G 01393 159.819 25.494 140.494 1.00737.35 P ATOM 28726 O1P G 01393 159.460 25.926 141.870 1.00737.35 O ATOM 28727 O2P G 01393 161.090 24.760 140.268 1.00737.35 O ATOM 28728 O5* G 01393 158.622 24.608 139.931 1.00737.35 O ATOM 28729 C5* G 01393 157.288 25.114 139.857 1.00737.35 C ATOM 28730 C4* G 01393 156.296 23.994 140.080 1.00737.35 C ATOM 28731 O4* G 01393 156.637 22.895 139.188 1.00737.35 O ATOM 28732 C3* G 01393 156.301 23.373 141.470 1.00737.35 C ATOM 28733 O3* G 01393 155.436 24.081 142.354 1.00737.35 O ATOM 28734 C2* G 01393 155.790 21.965 141.195 1.00737.35 C ATOM 28735 O2* G 01393 154.386 21.901 141.036 1.00737.35 O ATOM 28736 C1* G 01393 156.475 21.658 139.864 1.00737.35 C ATOM 28737 N9 G 01393 157.793 21.047 140.032 1.00737.35 N ATOM 28738 C8 G 01393 159.009 21.689 140.054 1.00737.35 C ATOM 28739 N7 G 01393 160.015 20.878 140.227 1.00737.35 N ATOM 28740 C5 G 01393 159.432 19.622 140.324 1.00737.35 C ATOM 28741 C6 G 01393 160.024 18.349 140.515 1.00737.35 C ATOM 28742 O6 G 01393 161.220 18.065 140.643 1.00737.35 O ATOM 28743 N1 G 01393 159.064 17.342 140.554 1.00737.35 N ATOM 28744 C2 G 01393 157.712 17.531 140.425 1.00737.35 C ATOM 28745 N2 G 01393 156.951 16.431 140.493 1.00737.35 N ATOM 28746 N3 G 01393 157.148 18.714 140.244 1.00737.35 N ATOM 28747 C4 G 01393 158.059 19.709 140.204 1.00737.35 C ATOM 28748 P G 01394 155.645 23.960 143.945 1.00737.35 P ATOM 28749 O1P G 01394 154.537 24.708 144.593 1.00737.35 O ATOM 28750 O2P G 01394 157.051 24.315 144.263 1.00737.35 O ATOM 28751 O5* G 01394 155.443 22.408 144.249 1.00737.35 O ATOM 28752 C5* G 01394 154.168 21.786 144.085 1.00737.35 C ATOM 28753 C4* G 01394 154.241 20.321 144.460 1.00737.35 C ATOM 28754 O4* G 01394 155.164 19.635 143.575 1.00737.35 O ATOM 28755 C3* G 01394 154.767 20.017 145.854 1.00737.35 C ATOM 28756 O3* G 01394 153.725 20.123 146.821 1.00737.35 O ATOM 28757 C2* G 01394 155.255 18.579 145.709 1.00737.35 C ATOM 28758 O2* G 01394 154.218 17.625 145.823 1.00737.35 O ATOM 28759 C1* G 01394 155.802 18.580 144.279 1.00737.35 C ATOM 28760 N9 G 01394 157.249 18.768 144.200 1.00737.35 N ATOM 28761 C8 G 01394 157.930 19.950 144.029 1.00737.35 C ATOM 28762 N7 G 01394 159.226 19.799 143.996 1.00737.35 N ATOM 28763 C5 G 01394 159.416 18.433 144.156 1.00737.35 C ATOM 28764 C6 G 01394 160.613 17.669 144.203 1.00737.35 C ATOM 28765 O6 G 01394 161.782 18.060 144.109 1.00737.35 O ATOM 28766 N1 G 01394 160.349 16.315 144.379 1.00737.35 N ATOM 28767 C2 G 01394 159.098 15.762 144.497 1.00737.35 C ATOM 28768 N2 G 01394 159.054 14.432 144.662 1.00737.35 N ATOM 28769 N3 G 01394 157.975 16.460 144.455 1.00737.35 N ATOM 28770 C4 G 01394 158.206 17.780 144.284 1.00737.35 C ATOM 28771 P A 01395 154.044 20.732 148.274 1.00737.35 P ATOM 28772 O1P A 01395 152.804 20.613 149.084 1.00737.35 O ATOM 28773 O2P A 01395 154.676 22.063 148.093 1.00737.35 O ATOM 28774 O5* A 01395 155.134 19.739 148.878 1.00737.35 O ATOM 28775 C5* A 01395 154.799 18.393 149.212 1.00737.35 C ATOM 28776 C4* A 01395 156.054 17.594 149.488 1.00737.35 C ATOM 28777 O4* A 01395 156.850 17.520 148.277 1.00737.35 O ATOM 28778 C3* A 01395 156.996 18.188 150.524 1.00737.35 C ATOM 28779 O3* A 01395 156.604 17.821 151.843 1.00737.35 O ATOM 28780 C2* A 01395 158.332 17.571 150.136 1.00737.35 C ATOM 28781 O2* A 01395 158.494 16.247 150.609 1.00737.35 O ATOM 28782 C1* A 01395 158.229 17.564 148.609 1.00737.35 C ATOM 28783 N9 A 01395 158.817 18.750 147.983 1.00737.35 N ATOM 28784 C8 A 01395 158.192 19.926 147.643 1.00737.35 C ATOM 28785 N7 A 01395 158.992 20.810 147.098 1.00737.35 N ATOM 28786 C5 A 01395 160.227 20.177 147.077 1.00737.35 C ATOM 28787 C6 A 01395 161.491 20.586 146.618 1.00737.35 C ATOM 28788 N6 A 01395 161.728 21.781 146.073 1.00737.35 N ATOM 28789 N1 A 01395 162.515 19.715 146.740 1.00737.35 N ATOM 28790 C2 A 01395 162.275 18.517 147.287 1.00737.35 C ATOM 28791 N3 A 01395 161.132 18.017 147.754 1.00737.35 N ATOM 28792 C4 A 01395 160.134 18.908 147.617 1.00737.35 C ATOM 28793 P C 01396 156.713 18.897 153.035 1.00737.35 P ATOM 28794 O1P C 01396 156.413 18.184 154.304 1.00737.35 O ATOM 28795 O2P C 01396 155.918 20.095 152.661 1.00737.35 O ATOM 28796 O5* C 01396 158.253 19.306 153.047 1.00737.35 O ATOM 28797 C5* C 01396 159.267 18.343 153.330 1.00737.35 C ATOM 28798 C4* C 01396 160.631 18.901 152.992 1.00737.35 C ATOM 28799 O4* C 01396 160.698 19.181 151.569 1.00737.35 O ATOM 28800 C3* C 01396 160.988 20.224 153.651 1.00737.35 C ATOM 28801 O3* C 01396 161.516 20.010 154.955 1.00737.35 O ATOM 28802 C2* C 01396 162.045 20.780 152.703 1.00737.35 C ATOM 28803 O2* C 01396 163.332 20.236 152.922 1.00737.35 O ATOM 28804 C1* C 01396 161.514 20.321 151.343 1.00737.35 C ATOM 28805 N1 C 01396 160.720 21.345 150.638 1.00737.35 N ATOM 28806 C2 C 01396 161.382 22.257 149.798 1.00737.35 C ATOM 28807 O2 C 01396 162.615 22.176 149.668 1.00737.35 O ATOM 28808 N3 C 01396 160.662 23.201 149.149 1.00737.35 N ATOM 28809 C4 C 01396 159.337 23.260 149.311 1.00737.35 C ATOM 28810 N4 C 01396 158.668 24.208 148.652 1.00737.35 N ATOM 28811 C5 C 01396 158.640 22.350 150.158 1.00737.35 C ATOM 28812 C6 C 01396 159.364 21.416 150.795 1.00737.35 C ATOM 28813 P A 01397 161.104 20.995 156.156 1.00737.35 P ATOM 28814 O1P A 01397 159.716 20.649 156.558 1.00737.35 O ATOM 28815 O2P A 01397 161.427 22.388 155.757 1.00737.35 O ATOM 28816 O5* A 01397 162.083 20.572 157.338 1.00737.35 O ATOM 28817 C5* A 01397 162.048 21.228 158.602 1.00737.35 C ATOM 28818 C4* A 01397 163.453 21.488 159.090 1.00737.35 C ATOM 28819 O4* A 01397 164.172 20.225 159.132 1.00737.35 O ATOM 28820 C3* A 01397 164.296 22.379 158.189 1.00737.35 C ATOM 28821 O3* A 01397 164.101 23.753 158.512 1.00737.35 O ATOM 28822 C2* A 01397 165.712 21.920 158.507 1.00737.35 C ATOM 28823 O2* A 01397 166.225 22.485 159.698 1.00737.35 O ATOM 28824 C1* A 01397 165.507 20.416 158.694 1.00737.35 C ATOM 28825 N9 A 01397 165.707 19.639 157.465 1.00737.35 N ATOM 28826 C8 A 01397 164.751 19.109 156.636 1.00737.35 C ATOM 28827 N7 A 01397 165.241 18.458 155.608 1.00737.35 N ATOM 28828 C5 A 01397 166.614 18.569 155.770 1.00737.35 C ATOM 28829 C6 A 01397 167.698 18.092 155.009 1.00737.35 C ATOM 28830 N6 A 01397 167.558 17.381 153.888 1.00737.35 N ATOM 28831 N1 A 01397 168.943 18.378 155.444 1.00737.35 N ATOM 28832 C2 A 01397 169.082 19.093 156.568 1.00737.35 C ATOM 28833 N3 A 01397 168.143 19.594 157.369 1.00737.35 N ATOM 28834 C4 A 01397 166.918 19.293 156.909 1.00737.35 C ATOM 28835 P G 01398 164.248 24.879 157.369 1.00737.35 P ATOM 28836 O1P G 01398 162.898 25.465 157.172 1.00737.35 O ATOM 28837 O2P G 01398 164.974 24.312 156.205 1.00737.35 O ATOM 28838 O5* G 01398 165.165 25.999 158.039 1.00737.35 O ATOM 28839 C5* G 01398 166.014 25.694 159.148 1.00737.35 C ATOM 28840 C4* G 01398 165.726 26.632 160.297 1.00737.35 C ATOM 28841 O4* G 01398 166.355 26.136 161.506 1.00737.35 O ATOM 28842 C3* G 01398 166.256 28.049 160.171 1.00737.35 C ATOM 28843 O3* G 01398 165.415 28.865 159.360 1.00737.35 O ATOM 28844 C2* G 01398 166.269 28.512 161.624 1.00737.35 C ATOM 28845 O2* G 01398 164.998 28.930 162.083 1.00737.35 O ATOM 28846 C1* G 01398 166.686 27.229 162.347 1.00737.35 C ATOM 28847 N9 G 01398 168.115 27.178 162.650 1.00737.35 N ATOM 28848 C8 G 01398 169.147 26.912 161.780 1.00737.35 C ATOM 28849 N7 G 01398 170.320 26.954 162.351 1.00737.35 N ATOM 28850 C5 G 01398 170.047 27.266 163.676 1.00737.35 C ATOM 28851 C6 G 01398 170.924 27.447 164.778 1.00737.35 C ATOM 28852 O6 G 01398 172.158 27.371 164.803 1.00737.35 O ATOM 28853 N1 G 01398 170.224 27.745 165.942 1.00737.35 N ATOM 28854 C2 G 01398 168.859 27.857 166.039 1.00737.35 C ATOM 28855 N2 G 01398 168.369 28.146 167.251 1.00737.35 N ATOM 28856 N3 G 01398 168.033 27.693 165.021 1.00737.35 N ATOM 28857 C4 G 01398 168.690 27.400 163.879 1.00737.35 C ATOM 28858 P C 01399 165.991 30.234 158.741 1.00737.35 P ATOM 28859 O1P C 01399 164.964 30.760 157.804 1.00737.35 O ATOM 28860 O2P C 01399 167.373 29.990 158.252 1.00737.35 O ATOM 28861 O5* C 01399 166.073 31.219 159.994 1.00737.35 O ATOM 28862 C5* C 01399 164.887 31.665 160.649 1.00737.35 C ATOM 28863 C4* C 01399 165.227 32.427 161.910 1.00737.35 C ATOM 28864 O4* C 01399 165.910 31.552 162.845 1.00737.35 O ATOM 28865 C3* C 01399 166.172 33.608 161.766 1.00737.35 C ATOM 28866 O3* C 01399 165.484 34.769 161.307 1.00737.35 O ATOM 28867 C2* C 01399 166.677 33.781 163.196 1.00737.35 C ATOM 28868 O2* C 01399 165.776 34.490 164.022 1.00737.35 O ATOM 28869 C1* C 01399 166.771 32.328 163.669 1.00737.35 C ATOM 28870 N1 C 01399 168.141 31.776 163.602 1.00737.35 N ATOM 28871 C2 C 01399 168.989 31.944 164.710 1.00737.35 C ATOM 28872 O2 C 01399 168.563 32.538 165.716 1.00737.35 O ATOM 28873 N3 C 01399 170.250 31.457 164.656 1.00737.35 N ATOM 28874 C4 C 01399 170.676 30.823 163.562 1.00737.35 C ATOM 28875 N4 C 01399 171.930 30.364 163.555 1.00737.35 N ATOM 28876 C5 C 01399 169.834 30.632 162.425 1.00737.35 C ATOM 28877 C6 C 01399 168.587 31.120 162.486 1.00737.35 C ATOM 28878 P A 01400 166.307 35.982 160.651 1.00737.35 P ATOM 28879 O1P A 01400 165.317 36.935 160.084 1.00737.35 O ATOM 28880 O2P A 01400 167.365 35.418 159.771 1.00737.35 O ATOM 28881 O5* A 01400 167.017 36.684 161.894 1.00737.35 O ATOM 28882 C5* A 01400 166.245 37.276 162.937 1.00737.35 C ATOM 28883 C4* A 01400 167.136 37.690 164.086 1.00737.35 C ATOM 28884 O4* A 01400 167.797 36.518 164.631 1.00737.35 O ATOM 28885 C3* A 01400 168.276 38.635 163.740 1.00737.35 C ATOM 28886 O3* A 01400 167.827 39.988 163.721 1.00737.35 O ATOM 28887 C2* A 01400 169.262 38.378 164.875 1.00737.35 C ATOM 28888 O2* A 01400 168.938 39.073 166.063 1.00737.35 O ATOM 28889 C1* A 01400 169.091 36.872 165.095 1.00737.35 C ATOM 28890 N9 A 01400 170.081 36.062 164.383 1.00737.35 N ATOM 28891 C8 A 01400 169.993 35.528 163.118 1.00737.35 C ATOM 28892 N7 A 01400 171.051 34.847 162.754 1.00737.35 N ATOM 28893 C5 A 01400 171.897 34.933 163.853 1.00737.35 C ATOM 28894 C6 A 01400 173.182 34.420 164.101 1.00737.35 C ATOM 28895 N6 A 01400 173.868 33.684 163.221 1.00737.35 N ATOM 28896 N1 A 01400 173.748 34.689 165.297 1.00737.35 N ATOM 28897 C2 A 01400 173.060 35.427 166.179 1.00737.35 C ATOM 28898 N3 A 01400 171.847 35.965 166.062 1.00737.35 N ATOM 28899 C4 A 01400 171.312 35.679 164.862 1.00737.35 C ATOM 28900 P G 01401 168.696 41.106 162.958 1.00737.35 P ATOM 28901 O1P G 01401 167.948 42.387 163.053 1.00737.35 O ATOM 28902 O2P G 01401 169.077 40.577 161.622 1.00737.35 O ATOM 28903 O5* G 01401 170.010 41.238 163.847 1.00737.35 O ATOM 28904 C5* G 01401 171.214 41.780 163.311 1.00737.35 C ATOM 28905 C4* G 01401 172.366 41.512 164.250 1.00737.35 C ATOM 28906 O4* G 01401 172.423 40.091 164.541 1.00737.35 O ATOM 28907 C3* G 01401 173.747 41.847 163.708 1.00737.35 C ATOM 28908 O3* G 01401 174.053 43.224 163.920 1.00737.35 O ATOM 28909 C2* G 01401 174.650 40.931 164.527 1.00737.35 C ATOM 28910 O2* G 01401 174.959 41.444 165.807 1.00737.35 O ATOM 28911 C1* G 01401 173.774 39.684 164.674 1.00737.35 C ATOM 28912 N9 G 01401 174.049 38.645 163.683 1.00737.35 N ATOM 28913 C8 G 01401 173.226 38.220 162.665 1.00737.35 C ATOM 28914 N7 G 01401 173.750 37.265 161.945 1.00737.35 N ATOM 28915 C5 G 01401 174.994 37.047 162.519 1.00737.35 C ATOM 28916 C6 G 01401 176.017 36.128 162.170 1.00737.35 C ATOM 28917 O6 G 01401 176.026 35.295 161.255 1.00737.35 O ATOM 28918 N1 G 01401 177.116 36.243 163.015 1.00737.35 N ATOM 28919 C2 G 01401 177.221 37.128 164.062 1.00737.35 C ATOM 28920 N2 G 01401 178.364 37.089 164.761 1.00737.35 N ATOM 28921 N3 G 01401 176.274 37.984 164.398 1.00737.35 N ATOM 28922 C4 G 01401 175.196 37.891 163.591 1.00737.35 C ATOM 28923 P G 01402 175.146 43.953 162.992 1.00737.35 P ATOM 28924 O1P G 01402 175.118 45.398 163.333 1.00737.35 O ATOM 28925 O2P G 01402 174.930 43.530 161.583 1.00737.35 O ATOM 28926 O5* G 01402 176.537 43.351 163.486 1.00737.35 O ATOM 28927 C5* G 01402 177.006 43.579 164.814 1.00737.35 C ATOM 28928 C4* G 01402 178.266 42.780 165.072 1.00737.35 C ATOM 28929 O4* G 01402 177.969 41.366 164.926 1.00737.35 O ATOM 28930 C3* G 01402 179.412 43.034 164.102 1.00737.35 C ATOM 28931 O3* G 01402 180.195 44.150 164.512 1.00737.35 O ATOM 28932 C2* G 01402 180.198 41.732 164.189 1.00737.35 C ATOM 28933 O2* G 01402 181.042 41.664 165.321 1.00737.35 O ATOM 28934 C1* G 01402 179.070 40.706 164.320 1.00737.35 C ATOM 28935 N9 G 01402 178.633 40.157 163.039 1.00737.35 N ATOM 28936 C8 G 01402 177.427 40.369 162.411 1.00737.35 C ATOM 28937 N7 G 01402 177.325 39.744 161.271 1.00737.35 N ATOM 28938 C5 G 01402 178.534 39.078 161.134 1.00737.35 C ATOM 28939 C6 G 01402 179.007 38.236 160.094 1.00737.35 C ATOM 28940 O6 G 01402 178.430 37.899 159.053 1.00737.35 O ATOM 28941 N1 G 01402 180.291 37.773 160.355 1.00737.35 N ATOM 28942 C2 G 01402 181.030 38.074 161.473 1.00737.35 C ATOM 28943 N2 G 01402 182.253 37.523 161.543 1.00737.35 N ATOM 28944 N3 G 01402 180.601 38.855 162.452 1.00737.35 N ATOM 28945 C4 G 01402 179.354 39.319 162.217 1.00737.35 C ATOM 28946 P U 01403 180.795 45.154 163.407 1.00737.35 P ATOM 28947 O1P U 01403 181.728 46.075 164.106 1.00737.35 O ATOM 28948 O2P U 01403 179.665 45.713 162.623 1.00737.35 O ATOM 28949 O5* U 01403 181.651 44.213 162.445 1.00737.35 O ATOM 28950 C5* U 01403 182.796 43.512 162.929 1.00737.35 C ATOM 28951 C4* U 01403 183.270 42.515 161.896 1.00737.35 C ATOM 28952 O4* U 01403 182.219 41.544 161.654 1.00737.35 O ATOM 28953 C3* U 01403 183.580 43.089 160.522 1.00737.35 C ATOM 28954 O3* U 01403 184.912 43.588 160.458 1.00737.35 O ATOM 28955 C2* U 01403 183.398 41.875 159.615 1.00737.35 C ATOM 28956 O2* U 01403 184.523 41.020 159.600 1.00737.35 O ATOM 28957 C1* U 01403 182.219 41.167 160.284 1.00737.35 C ATOM 28958 N1 U 01403 180.911 41.515 159.698 1.00737.35 N ATOM 28959 C2 U 01403 180.522 40.845 158.545 1.00737.35 C ATOM 28960 O2 U 01403 181.210 39.993 158.003 1.00737.35 O ATOM 28961 N3 U 01403 179.296 41.210 158.048 1.00737.35 N ATOM 28962 C4 U 01403 178.435 42.154 158.570 1.00737.35 C ATOM 28963 O4 U 01403 177.361 42.370 158.007 1.00737.35 O ATOM 28964 C5 U 01403 178.904 42.801 159.756 1.00737.35 C ATOM 28965 C6 U 01403 180.095 42.469 160.267 1.00737.35 C ATOM 28966 P C 01404 185.220 44.942 159.648 1.00737.35 P ATOM 28967 O1P C 01404 185.220 46.055 160.633 1.00737.35 O ATOM 28968 O2P C 01404 184.320 45.011 158.468 1.00737.35 O ATOM 28969 O5* C 01404 186.710 44.744 159.121 1.00737.35 O ATOM 28970 C5* C 01404 187.793 44.539 160.025 1.00737.35 C ATOM 28971 C4* C 01404 188.912 43.787 159.338 1.00737.35 C ATOM 28972 O4* C 01404 188.433 42.471 158.957 1.00737.35 O ATOM 28973 C3* C 01404 189.415 44.402 158.039 1.00737.35 C ATOM 28974 O3* C 01404 190.406 45.390 158.297 1.00737.35 O ATOM 28975 C2* C 01404 189.999 43.192 157.316 1.00737.35 C ATOM 28976 O2* C 01404 191.299 42.856 157.756 1.00737.35 O ATOM 28977 C1* C 01404 189.015 42.091 157.720 1.00737.35 C ATOM 28978 N1 C 01404 187.934 41.870 156.737 1.00737.35 N ATOM 28979 C2 C 01404 188.138 40.942 155.702 1.00737.35 C ATOM 28980 O2 C 01404 189.216 40.326 155.639 1.00737.35 O ATOM 28981 N3 C 01404 187.155 40.740 154.794 1.00737.35 N ATOM 28982 C4 C 01404 186.008 41.418 154.889 1.00737.35 C ATOM 28983 N4 C 01404 185.068 41.191 153.969 1.00737.35 N ATOM 28984 C5 C 01404 185.774 42.362 155.930 1.00737.35 C ATOM 28985 C6 C 01404 186.752 42.555 156.822 1.00737.35 C ATOM 28986 P A 01405 190.212 46.883 157.732 1.00737.35 P ATOM 28987 O1P A 01405 191.434 47.649 158.090 1.00737.35 O ATOM 28988 O2P A 01405 188.881 47.380 158.168 1.00737.35 O ATOM 28989 O5* A 01405 190.187 46.710 156.148 1.00737.35 O ATOM 28990 C5* A 01405 189.967 47.832 155.296 1.00737.35 C ATOM 28991 C4* A 01405 189.986 47.408 153.845 1.00737.35 C ATOM 28992 O4* A 01405 191.301 46.894 153.505 1.00737.35 O ATOM 28993 C3* A 01405 189.035 46.285 153.464 1.00737.35 C ATOM 28994 O3* A 01405 187.727 46.789 153.208 1.00737.35 O ATOM 28995 C2* A 01405 189.688 45.723 152.205 1.00737.35 C ATOM 28996 O2* A 01405 189.390 46.473 151.043 1.00737.35 O ATOM 28997 C1* A 01405 191.175 45.862 152.543 1.00737.35 C ATOM 28998 N9 A 01405 191.767 44.642 153.094 1.00737.35 N ATOM 28999 C8 A 01405 191.692 44.168 154.381 1.00737.35 C ATOM 29000 N7 A 01405 192.330 43.038 154.569 1.00737.35 N ATOM 29001 C5 A 01405 192.861 42.745 153.320 1.00737.35 C ATOM 29002 C6 A 01405 193.646 41.677 152.852 1.00737.35 C ATOM 29003 N6 A 01405 194.049 40.662 153.622 1.00737.35 N ATOM 29004 N1 A 01405 194.008 41.684 151.551 1.00737.35 N ATOM 29005 C2 A 01405 193.606 42.701 150.780 1.00737.35 C ATOM 29006 N3 A 01405 192.866 43.762 151.102 1.00737.35 N ATOM 29007 C4 A 01405 192.523 43.723 152.401 1.00737.35 C ATOM 29008 P A 01406 186.443 45.867 153.496 1.00737.35 P ATOM 29009 O1P A 01406 185.248 46.746 153.432 1.00737.35 O ATOM 29010 O2P A 01406 186.699 45.067 154.722 1.00737.35 O ATOM 29011 O5* A 01406 186.400 44.869 152.253 1.00737.35 O ATOM 29012 C5* A 01406 185.957 45.313 150.971 1.00737.35 C ATOM 29013 C4* A 01406 185.930 44.158 149.994 1.00737.35 C ATOM 29014 O4* A 01406 187.283 43.679 149.777 1.00737.35 O ATOM 29015 C3* A 01406 185.159 42.927 150.446 1.00737.35 C ATOM 29016 O3* A 01406 183.771 43.071 150.162 1.00737.35 O ATOM 29017 C2* A 01406 185.803 41.820 149.618 1.00737.35 C ATOM 29018 O2* A 01406 185.297 41.747 148.299 1.00737.35 O ATOM 29019 C1* A 01406 187.266 42.275 149.584 1.00737.35 C ATOM 29020 N9 A 01406 188.105 41.657 150.611 1.00737.35 N ATOM 29021 C8 A 01406 188.189 41.979 151.944 1.00737.35 C ATOM 29022 N7 A 01406 189.041 41.243 152.614 1.00737.35 N ATOM 29023 C5 A 01406 189.553 40.374 151.660 1.00737.35 C ATOM 29024 C6 A 01406 190.504 39.343 151.735 1.00737.35 C ATOM 29025 N6 A 01406 191.133 38.994 152.860 1.00737.35 N ATOM 29026 N1 A 01406 190.790 38.669 150.600 1.00737.35 N ATOM 29027 C2 A 01406 190.158 39.016 149.473 1.00737.35 C ATOM 29028 N3 A 01406 189.247 39.966 149.275 1.00737.35 N ATOM 29029 C4 A 01406 188.985 40.617 150.422 1.00737.35 C ATOM 29030 P G 01407 182.678 42.628 151.257 1.00737.35 P ATOM 29031 O1P G 01407 181.369 43.176 150.815 1.00737.35 O ATOM 29032 O2P G 01407 183.194 42.969 152.608 1.00737.35 O ATOM 29033 O5* G 01407 182.618 41.041 151.132 1.00737.35 O ATOM 29034 C5* G 01407 182.116 40.415 149.953 1.00737.35 C ATOM 29035 C4* G 01407 181.662 39.007 150.259 1.00737.35 C ATOM 29036 O4* G 01407 182.797 38.225 150.715 1.00737.35 O ATOM 29037 C3* G 01407 180.636 38.868 151.373 1.00737.35 C ATOM 29038 O3* G 01407 179.315 39.074 150.876 1.00737.35 O ATOM 29039 C2* G 01407 180.857 37.433 151.840 1.00737.35 C ATOM 29040 O2* G 01407 180.217 36.476 151.019 1.00737.35 O ATOM 29041 C1* G 01407 182.377 37.300 151.701 1.00737.35 C ATOM 29042 N9 G 01407 183.119 37.578 152.931 1.00737.35 N ATOM 29043 C8 G 01407 183.041 38.705 153.715 1.00737.35 C ATOM 29044 N7 G 01407 183.834 38.664 154.750 1.00737.35 N ATOM 29045 C5 G 01407 184.473 37.437 154.648 1.00737.35 C ATOM 29046 C6 G 01407 185.448 36.836 155.487 1.00737.35 C ATOM 29047 O6 G 01407 185.956 37.282 156.522 1.00737.35 O ATOM 29048 N1 G 01407 185.828 35.584 155.014 1.00737.35 N ATOM 29049 C2 G 01407 185.337 34.986 153.881 1.00737.35 C ATOM 29050 N2 G 01407 185.831 33.774 153.589 1.00737.35 N ATOM 29051 N3 G 01407 184.429 35.533 153.090 1.00737.35 N ATOM 29052 C4 G 01407 184.044 36.751 153.530 1.00737.35 C ATOM 29053 P A 01408 178.215 39.802 151.796 1.00737.35 P ATOM 29054 O1P A 01408 177.163 40.327 150.885 1.00737.35 O ATOM 29055 O2P A 01408 178.905 40.732 152.728 1.00737.35 O ATOM 29056 O5* A 01408 177.581 38.617 152.654 1.00737.35 O ATOM 29057 C5* A 01408 176.841 37.572 152.024 1.00737.35 C ATOM 29058 C4* A 01408 176.788 36.353 152.917 1.00737.35 C ATOM 29059 O4* A 01408 178.145 35.922 153.203 1.00737.35 O ATOM 29060 C3* A 01408 176.159 36.551 154.288 1.00737.35 C ATOM 29061 O3* A 01408 174.740 36.420 154.216 1.00737.35 O ATOM 29062 C2* A 01408 176.802 35.435 155.105 1.00737.35 C ATOM 29063 O2* A 01408 176.178 34.179 154.914 1.00737.35 O ATOM 29064 C1* A 01408 178.217 35.410 154.522 1.00737.35 C ATOM 29065 N9 A 01408 179.187 36.211 155.273 1.00737.35 N ATOM 29066 C8 A 01408 179.105 37.538 155.621 1.00737.35 C ATOM 29067 N7 A 01408 180.137 37.971 156.301 1.00737.35 N ATOM 29068 C5 A 01408 180.958 36.857 156.406 1.00737.35 C ATOM 29069 C6 A 01408 182.211 36.659 157.013 1.00737.35 C ATOM 29070 N6 A 01408 182.882 37.617 157.659 1.00737.35 N ATOM 29071 N1 A 01408 182.759 35.427 156.936 1.00737.35 N ATOM 29072 C2 A 01408 182.084 34.466 156.290 1.00737.35 C ATOM 29073 N3 A 01408 180.903 34.528 155.683 1.00737.35 N ATOM 29074 C4 A 01408 180.386 35.765 155.777 1.00737.35 C ATOM 29075 P U 01409 173.844 36.614 155.540 1.00737.35 P ATOM 29076 O1P U 01409 172.470 36.952 155.093 1.00737.35 O ATOM 29077 O2P U 01409 174.556 37.523 156.476 1.00737.35 O ATOM 29078 O5* U 01409 173.804 35.157 156.186 1.00737.35 O ATOM 29079 C5* U 01409 173.291 34.946 157.500 1.00737.35 C ATOM 29080 C4* U 01409 172.699 33.559 157.616 1.00737.35 C ATOM 29081 O4* U 01409 171.550 33.455 156.734 1.00737.35 O ATOM 29082 C3* U 01409 173.607 32.412 157.196 1.00737.35 C ATOM 29083 O3* U 01409 174.447 32.009 158.272 1.00737.35 O ATOM 29084 C2* U 01409 172.602 31.322 156.836 1.00737.35 C ATOM 29085 O2* U 01409 172.117 30.618 157.964 1.00737.35 O ATOM 29086 C1* U 01409 171.470 32.137 156.209 1.00737.35 C ATOM 29087 N1 U 01409 171.526 32.210 154.739 1.00737.35 N ATOM 29088 C2 U 01409 170.888 31.210 154.018 1.00737.35 C ATOM 29089 O2 U 01409 170.286 30.285 154.542 1.00737.35 O ATOM 29090 N3 U 01409 170.980 31.334 152.653 1.00737.35 N ATOM 29091 C4 U 01409 171.628 32.329 151.948 1.00737.35 C ATOM 29092 O4 U 01409 171.621 32.300 150.716 1.00737.35 O ATOM 29093 C5 U 01409 172.262 33.321 152.760 1.00737.35 C ATOM 29094 C6 U 01409 172.192 33.231 154.093 1.00737.35 C ATOM 29095 P U 01410 176.042 31.974 158.074 1.00737.35 P ATOM 29096 O1P U 01410 176.626 31.397 159.311 1.00737.35 O ATOM 29097 O2P U 01410 176.483 33.316 157.614 1.00737.35 O ATOM 29098 O5* U 01410 176.273 30.940 156.881 1.00737.35 O ATOM 29099 C5* U 01410 176.052 29.542 157.065 1.00737.35 C ATOM 29100 C4* U 01410 177.067 28.743 156.276 1.00737.35 C ATOM 29101 O4* U 01410 176.913 29.035 154.864 1.00737.35 O ATOM 29102 C3* U 01410 178.524 29.054 156.576 1.00737.35 C ATOM 29103 O3* U 01410 178.978 28.264 157.673 1.00737.35 O ATOM 29104 C2* U 01410 179.233 28.642 155.286 1.00737.35 C ATOM 29105 O2* U 01410 179.563 27.268 155.246 1.00737.35 O ATOM 29106 C1* U 01410 178.176 28.954 154.223 1.00737.35 C ATOM 29107 N1 U 01410 178.410 30.198 153.470 1.00737.35 N ATOM 29108 C2 U 01410 179.310 30.153 152.413 1.00737.35 C ATOM 29109 O2 U 01410 179.912 29.140 152.089 1.00737.35 O ATOM 29110 N3 U 01410 179.480 31.343 151.746 1.00737.35 N ATOM 29111 C4 U 01410 178.860 32.543 152.018 1.00737.35 C ATOM 29112 O4 U 01410 179.119 33.529 151.325 1.00737.35 O ATOM 29113 C5 U 01410 177.951 32.509 153.119 1.00737.35 C ATOM 29114 C6 U 01410 177.761 31.370 153.792 1.00737.35 C ATOM 29115 P C 01411 179.963 28.902 158.771 1.00737.35 P ATOM 29116 O1P C 01411 180.596 27.768 159.490 1.00737.35 O ATOM 29117 O2P C 01411 179.199 29.921 159.537 1.00737.35 O ATOM 29118 O5* C 01411 181.075 29.657 157.910 1.00737.35 O ATOM 29119 C5* C 01411 182.424 29.194 157.867 1.00737.35 C ATOM 29120 C4* C 01411 183.319 30.132 158.641 1.00737.35 C ATOM 29121 O4* C 01411 183.169 31.475 158.107 1.00737.35 O ATOM 29122 C3* C 01411 182.986 30.262 160.121 1.00737.35 C ATOM 29123 O3* C 01411 183.659 29.254 160.871 1.00737.35 O ATOM 29124 C2* C 01411 183.496 31.660 160.451 1.00737.35 C ATOM 29125 O2* C 01411 184.890 31.704 160.677 1.00737.35 O ATOM 29126 C1* C 01411 183.153 32.418 159.168 1.00737.35 C ATOM 29127 N1 C 01411 181.828 33.076 159.193 1.00737.35 N ATOM 29128 C2 C 01411 181.699 34.335 159.805 1.00737.35 C ATOM 29129 O2 C 01411 182.696 34.866 160.322 1.00737.35 O ATOM 29130 N3 C 01411 180.487 34.938 159.816 1.00737.35 N ATOM 29131 C4 C 01411 179.436 34.339 159.255 1.00737.35 C ATOM 29132 N4 C 01411 178.263 34.979 159.289 1.00737.35 N ATOM 29133 C5 C 01411 179.536 33.062 158.635 1.00737.35 C ATOM 29134 C6 C 01411 180.736 32.473 158.625 1.00737.35 C ATOM 29135 P C 01412 182.993 28.679 162.219 1.00737.35 P ATOM 29136 O1P C 01412 183.895 27.616 162.735 1.00737.35 O ATOM 29137 O2P C 01412 181.567 28.360 161.948 1.00737.35 O ATOM 29138 O5* C 01412 183.042 29.909 163.230 1.00737.35 O ATOM 29139 C5* C 01412 184.284 30.418 163.711 1.00737.35 C ATOM 29140 C4* C 01412 184.070 31.740 164.413 1.00737.35 C ATOM 29141 O4* C 01412 183.567 32.707 163.454 1.00737.35 O ATOM 29142 C3* C 01412 183.030 31.729 165.520 1.00737.35 C ATOM 29143 O3* C 01412 183.590 31.298 166.756 1.00737.35 O ATOM 29144 C2* C 01412 182.589 33.185 165.565 1.00737.35 C ATOM 29145 O2* C 01412 183.486 34.019 166.271 1.00737.35 O ATOM 29146 C1* C 01412 182.604 33.545 164.078 1.00737.35 C ATOM 29147 N1 C 01412 181.301 33.337 163.414 1.00737.35 N ATOM 29148 C2 C 01412 180.355 34.373 163.435 1.00737.35 C ATOM 29149 O2 C 01412 180.637 35.442 164.005 1.00737.35 O ATOM 29150 N3 C 01412 179.158 34.184 162.833 1.00737.35 N ATOM 29151 C4 C 01412 178.886 33.027 162.231 1.00737.35 C ATOM 29152 N4 C 01412 177.689 32.889 161.654 1.00737.35 N ATOM 29153 C5 C 01412 179.825 31.956 162.193 1.00737.35 C ATOM 29154 C6 C 01412 181.008 32.152 162.790 1.00737.35 C ATOM 29155 P U 01413 182.667 30.518 167.819 1.00737.35 P ATOM 29156 O1P U 01413 183.528 30.175 168.980 1.00737.35 O ATOM 29157 O2P U 01413 181.937 29.441 167.106 1.00737.35 O ATOM 29158 O5* U 01413 181.607 31.615 168.281 1.00737.35 O ATOM 29159 C5* U 01413 181.959 32.621 169.230 1.00737.35 C ATOM 29160 C4* U 01413 180.720 33.335 169.729 1.00737.35 C ATOM 29161 O4* U 01413 180.145 34.129 168.659 1.00737.35 O ATOM 29162 C3* U 01413 179.579 32.441 170.182 1.00737.35 C ATOM 29163 O3* U 01413 179.779 31.984 171.516 1.00737.35 O ATOM 29164 C2* U 01413 178.373 33.369 170.063 1.00737.35 C ATOM 29165 O2* U 01413 178.236 34.241 171.168 1.00737.35 O ATOM 29166 C1* U 01413 178.731 34.173 168.809 1.00737.35 C ATOM 29167 N1 U 01413 178.107 33.661 167.577 1.00737.35 N ATOM 29168 C2 U 01413 176.848 34.144 167.240 1.00737.35 C ATOM 29169 O2 U 01413 176.245 34.966 167.913 1.00737.35 O ATOM 29170 N3 U 01413 176.321 33.626 166.082 1.00737.35 N ATOM 29171 C4 U 01413 176.904 32.698 165.244 1.00737.35 C ATOM 29172 O4 U 01413 176.301 32.331 164.233 1.00737.35 O ATOM 29173 C5 U 01413 178.198 32.248 165.657 1.00737.35 C ATOM 29174 C6 U 01413 178.741 32.731 166.780 1.00737.35 C ATOM 29175 P G 01414 179.282 30.514 171.939 1.00737.35 P ATOM 29176 O1P G 01414 179.863 30.221 173.275 1.00737.35 O ATOM 29177 O2P G 01414 179.539 29.583 170.811 1.00737.35 O ATOM 29178 O5* G 01414 177.704 30.675 172.099 1.00737.35 O ATOM 29179 C5* G 01414 177.146 31.270 173.270 1.00737.35 C ATOM 29180 C4* G 01414 175.641 31.357 173.150 1.00737.35 C ATOM 29181 O4* G 01414 175.288 32.288 172.097 1.00737.35 O ATOM 29182 C3* G 01414 174.924 30.072 172.767 1.00737.35 C ATOM 29183 O3* G 01414 174.720 29.241 173.907 1.00737.35 O ATOM 29184 C2* G 01414 173.612 30.599 172.193 1.00737.35 C ATOM 29185 O2* G 01414 172.667 30.934 173.190 1.00737.35 O ATOM 29186 C1* G 01414 174.081 31.870 171.479 1.00737.35 C ATOM 29187 N9 G 01414 174.326 31.688 170.049 1.00737.35 N ATOM 29188 C8 G 01414 175.476 31.225 169.453 1.00737.35 C ATOM 29189 N7 G 01414 175.392 31.166 168.152 1.00737.35 N ATOM 29190 C5 G 01414 174.110 31.618 167.870 1.00737.35 C ATOM 29191 C6 G 01414 173.441 31.774 166.625 1.00737.35 C ATOM 29192 O6 G 01414 173.864 31.532 165.487 1.00737.35 O ATOM 29193 N1 G 01414 172.150 32.262 166.796 1.00737.35 N ATOM 29194 C2 G 01414 171.571 32.560 168.004 1.00737.35 C ATOM 29195 N2 G 01414 170.313 33.022 167.959 1.00737.35 N ATOM 29196 N3 G 01414 172.181 32.418 169.170 1.00737.35 N ATOM 29197 C4 G 01414 173.438 31.946 169.029 1.00737.35 C ATOM 29198 P C 01415 174.772 27.640 173.752 1.00737.35 P ATOM 29199 O1P C 01415 175.030 27.077 175.101 1.00737.35 O ATOM 29200 O2P C 01415 175.685 27.294 172.629 1.00737.35 O ATOM 29201 O5* C 01415 173.289 27.246 173.323 1.00737.35 O ATOM 29202 C5* C 01415 172.197 27.428 174.219 1.00737.35 C ATOM 29203 C4* C 01415 170.911 27.631 173.451 1.00737.35 C ATOM 29204 O4* C 01415 171.067 28.777 172.573 1.00737.35 O ATOM 29205 C3* C 01415 170.500 26.505 172.516 1.00737.35 C ATOM 29206 O3* C 01415 169.807 25.473 173.211 1.00737.35 O ATOM 29207 C2* C 01415 169.597 27.233 171.527 1.00737.35 C ATOM 29208 O2* C 01415 168.293 27.461 172.024 1.00737.35 O ATOM 29209 C1* C 01415 170.336 28.565 171.373 1.00737.35 C ATOM 29210 N1 C 01415 171.280 28.568 170.236 1.00737.35 N ATOM 29211 C2 C 01415 170.912 29.228 169.053 1.00737.35 C ATOM 29212 O2 C 01415 169.824 29.825 169.004 1.00737.35 O ATOM 29213 N3 C 01415 171.756 29.202 167.995 1.00737.35 N ATOM 29214 C4 C 01415 172.924 28.561 168.085 1.00737.35 C ATOM 29215 N4 C 01415 173.718 28.553 167.011 1.00737.35 N ATOM 29216 C5 C 01415 173.330 27.899 169.280 1.00737.35 C ATOM 29217 C6 C 01415 172.486 27.928 170.320 1.00737.35 C ATOM 29218 P A 01416 169.799 23.976 172.620 1.00737.35 P ATOM 29219 O1P A 01416 169.102 23.116 173.609 1.00737.35 O ATOM 29220 O2P A 01416 171.179 23.629 172.189 1.00737.35 O ATOM 29221 O5* A 01416 168.884 24.082 171.318 1.00737.35 O ATOM 29222 C5* A 01416 167.524 24.497 171.417 1.00737.35 C ATOM 29223 C4* A 01416 166.837 24.390 170.073 1.00737.35 C ATOM 29224 O4* A 01416 167.476 25.284 169.125 1.00737.35 O ATOM 29225 C3* A 01416 166.894 23.033 169.389 1.00737.35 C ATOM 29226 O3* A 01416 165.896 22.154 169.900 1.00737.35 O ATOM 29227 C2* A 01416 166.634 23.403 167.934 1.00737.35 C ATOM 29228 O2* A 01416 165.265 23.605 167.647 1.00737.35 O ATOM 29229 C1* A 01416 167.385 24.733 167.819 1.00737.35 C ATOM 29230 N9 A 01416 168.733 24.589 167.266 1.00737.35 N ATOM 29231 C8 A 01416 169.942 24.651 167.921 1.00737.35 C ATOM 29232 N7 A 01416 170.977 24.477 167.137 1.00737.35 N ATOM 29233 C5 A 01416 170.419 24.288 165.879 1.00737.35 C ATOM 29234 C6 A 01416 170.988 24.053 164.614 1.00737.35 C ATOM 29235 N6 A 01416 172.301 23.965 164.392 1.00737.35 N ATOM 29236 N1 A 01416 170.146 23.910 163.567 1.00737.35 N ATOM 29237 C2 A 01416 168.830 23.998 163.783 1.00737.35 C ATOM 29238 N3 A 01416 168.176 24.218 164.922 1.00737.35 N ATOM 29239 C4 A 01416 169.038 24.354 165.945 1.00737.35 C ATOM 29240 P C 01417 166.058 20.565 169.708 1.00737.35 P ATOM 29241 O1P C 01417 164.961 19.916 170.469 1.00737.35 O ATOM 29242 O2P C 01417 167.468 20.192 169.994 1.00737.35 O ATOM 29243 O5* C 01417 165.789 20.337 168.154 1.00737.35 O ATOM 29244 C5* C 01417 164.527 20.667 167.577 1.00737.35 C ATOM 29245 C4* C 01417 164.562 20.489 166.075 1.00737.35 C ATOM 29246 O4* C 01417 165.538 21.395 165.498 1.00737.35 O ATOM 29247 C3* C 01417 164.993 19.120 165.574 1.00737.35 C ATOM 29248 O3* C 01417 163.900 18.205 165.594 1.00737.35 O ATOM 29249 C2* C 01417 165.449 19.429 164.151 1.00737.35 C ATOM 29250 O2* C 01417 164.380 19.521 163.231 1.00737.35 O ATOM 29251 C1* C 01417 166.092 20.808 164.328 1.00737.35 C ATOM 29252 N1 C 01417 167.567 20.773 164.450 1.00737.35 N ATOM 29253 C2 C 01417 168.339 20.670 163.281 1.00737.35 C ATOM 29254 O2 C 01417 167.768 20.602 162.179 1.00737.35 O ATOM 29255 N3 C 01417 169.688 20.648 163.384 1.00737.35 N ATOM 29256 C4 C 01417 170.271 20.720 164.580 1.00737.35 C ATOM 29257 N4 C 01417 171.607 20.697 164.625 1.00737.35 N ATOM 29258 C5 C 01417 169.512 20.818 165.784 1.00737.35 C ATOM 29259 C6 C 01417 168.176 20.842 165.675 1.00737.35 C ATOM 29260 P C 01418 164.178 16.624 165.496 1.00737.35 P ATOM 29261 O1P C 01418 162.901 15.935 165.813 1.00737.35 O ATOM 29262 O2P C 01418 165.397 16.305 166.284 1.00737.35 O ATOM 29263 O5* C 01418 164.505 16.387 163.955 1.00737.35 O ATOM 29264 C5* C 01418 163.503 16.587 162.956 1.00737.35 C ATOM 29265 C4* C 01418 164.057 16.265 161.586 1.00737.35 C ATOM 29266 O4* C 01418 165.110 17.208 161.252 1.00737.35 O ATOM 29267 C3* C 01418 164.714 14.902 161.440 1.00737.35 C ATOM 29268 O3* C 01418 163.741 13.892 161.191 1.00737.35 O ATOM 29269 C2* C 01418 165.642 15.116 160.249 1.00737.35 C ATOM 29270 O2* C 01418 164.976 15.021 159.005 1.00737.35 O ATOM 29271 C1* C 01418 166.108 16.555 160.480 1.00737.35 C ATOM 29272 N1 C 01418 167.401 16.655 161.191 1.00737.35 N ATOM 29273 C2 C 01418 168.592 16.543 160.452 1.00737.35 C ATOM 29274 O2 C 01418 168.530 16.354 159.224 1.00737.35 O ATOM 29275 N3 C 01418 169.777 16.638 161.095 1.00737.35 N ATOM 29276 C4 C 01418 169.808 16.835 162.416 1.00737.35 C ATOM 29277 N4 C 01418 171.004 16.926 163.006 1.00737.35 N ATOM 29278 C5 C 01418 168.617 16.951 163.189 1.00737.35 C ATOM 29279 C6 C 01418 167.448 16.856 162.545 1.00737.35 C ATOM 29280 P G 01419 164.037 12.374 161.634 1.00737.35 P ATOM 29281 O1P G 01419 162.801 11.591 161.374 1.00737.35 O ATOM 29282 O2P G 01419 164.625 12.384 162.997 1.00737.35 O ATOM 29283 O5* G 01419 165.160 11.892 160.609 1.00737.35 O ATOM 29284 C5* G 01419 164.842 11.619 159.248 1.00737.35 C ATOM 29285 C4* G 01419 166.076 11.175 158.496 1.00737.35 C ATOM 29286 O4* G 01419 167.017 12.278 158.408 1.00737.35 O ATOM 29287 C3* G 01419 166.876 10.056 159.142 1.00737.35 C ATOM 29288 O3* G 01419 166.327 8.779 158.829 1.00737.35 O ATOM 29289 C2* G 01419 168.257 10.252 158.530 1.00737.35 C ATOM 29290 O2* G 01419 168.372 9.710 157.228 1.00737.35 O ATOM 29291 C1* G 01419 168.345 11.779 158.467 1.00737.35 C ATOM 29292 N9 G 01419 169.015 12.372 159.624 1.00737.35 N ATOM 29293 C8 G 01419 168.433 13.054 160.666 1.00737.35 C ATOM 29294 N7 G 01419 169.295 13.465 161.555 1.00737.35 N ATOM 29295 C5 G 01419 170.521 13.028 161.074 1.00737.35 C ATOM 29296 C6 G 01419 171.825 13.177 161.609 1.00737.35 C ATOM 29297 O6 G 01419 172.169 13.746 162.655 1.00737.35 O ATOM 29298 N1 G 01419 172.786 12.579 160.801 1.00737.35 N ATOM 29299 C2 G 01419 172.525 11.922 159.623 1.00737.35 C ATOM 29300 N2 G 01419 173.588 11.412 158.983 1.00737.35 N ATOM 29301 N3 G 01419 171.315 11.777 159.110 1.00737.35 N ATOM 29302 C4 G 01419 170.369 12.351 159.882 1.00737.35 C ATOM 29303 P A 01420 166.549 7.550 159.840 1.00737.35 P ATOM 29304 O1P A 01420 165.832 6.377 159.273 1.00737.35 O ATOM 29305 O2P A 01420 166.232 8.005 161.217 1.00737.35 O ATOM 29306 O5* A 01420 168.116 7.265 159.758 1.00737.35 O ATOM 29307 C5* A 01420 168.700 6.721 158.577 1.00737.35 C ATOM 29308 C4* A 01420 170.179 6.482 158.779 1.00737.35 C ATOM 29309 O4* A 01420 170.867 7.752 158.933 1.00737.35 O ATOM 29310 C3* A 01420 170.565 5.702 160.023 1.00737.35 C ATOM 29311 O3* A 01420 170.433 4.300 159.813 1.00737.35 O ATOM 29312 C2* A 01420 172.018 6.117 160.227 1.00737.35 C ATOM 29313 O2* A 01420 172.919 5.407 159.402 1.00737.35 O ATOM 29314 C1* A 01420 171.977 7.588 159.800 1.00737.35 C ATOM 29315 N9 A 01420 171.839 8.519 160.921 1.00737.35 N ATOM 29316 C8 A 01420 170.691 9.079 161.431 1.00737.35 C ATOM 29317 N7 A 01420 170.898 9.880 162.448 1.00737.35 N ATOM 29318 C5 A 01420 172.274 9.845 162.626 1.00737.35 C ATOM 29319 C6 A 01420 173.126 10.480 163.547 1.00737.35 C ATOM 29320 N6 A 01420 172.699 11.311 164.502 1.00737.35 N ATOM 29321 N1 A 01420 174.451 10.230 163.453 1.00737.35 N ATOM 29322 C2 A 01420 174.879 9.398 162.496 1.00737.35 C ATOM 29323 N3 A 01420 174.179 8.742 161.573 1.00737.35 N ATOM 29324 C4 A 01420 172.867 9.011 161.693 1.00737.35 C ATOM 29325 P U 01421 170.191 3.325 161.071 1.00737.35 P ATOM 29326 O1P U 01421 169.965 1.959 160.531 1.00737.35 O ATOM 29327 O2P U 01421 169.168 3.939 161.957 1.00737.35 O ATOM 29328 O5* U 01421 171.587 3.337 161.839 1.00737.35 O ATOM 29329 C5* U 01421 172.751 2.768 161.243 1.00737.35 C ATOM 29330 C4* U 01421 173.957 2.983 162.130 1.00737.35 C ATOM 29331 O4* U 01421 174.243 4.402 162.230 1.00737.35 O ATOM 29332 C3* U 01421 173.811 2.533 163.575 1.00737.35 C ATOM 29333 O3* U 01421 174.055 1.136 163.702 1.00737.35 O ATOM 29334 C2* U 01421 174.872 3.369 164.280 1.00737.35 C ATOM 29335 O2* U 01421 176.175 2.831 164.156 1.00737.35 O ATOM 29336 C1* U 01421 174.782 4.691 163.512 1.00737.35 C ATOM 29337 N1 U 01421 173.935 5.701 164.169 1.00737.35 N ATOM 29338 C2 U 01421 174.533 6.542 165.097 1.00737.35 C ATOM 29339 O2 U 01421 175.718 6.483 165.385 1.00737.35 O ATOM 29340 N3 U 01421 173.690 7.458 165.677 1.00737.35 N ATOM 29341 C4 U 01421 172.341 7.622 165.435 1.00737.35 C ATOM 29342 O4 U 01421 171.721 8.495 166.039 1.00737.35 O ATOM 29343 C5 U 01421 171.796 6.719 164.466 1.00737.35 C ATOM 29344 C6 U 01421 172.590 5.813 163.881 1.00737.35 C ATOM 29345 P C 01422 173.432 0.327 164.944 1.00737.35 P ATOM 29346 O1P C 01422 173.684 -1.117 164.699 1.00737.35 O ATOM 29347 O2P C 01422 172.043 0.799 165.172 1.00737.35 O ATOM 29348 O5* C 01422 174.324 0.785 166.185 1.00737.35 O ATOM 29349 C5* C 01422 175.697 0.409 166.274 1.00737.35 C ATOM 29350 C4* C 01422 176.336 1.040 167.490 1.00737.35 C ATOM 29351 O4* C 01422 176.356 2.484 167.336 1.00737.35 O ATOM 29352 C3* C 01422 175.621 0.816 168.813 1.00737.35 C ATOM 29353 O3* C 01422 175.973 -0.441 169.380 1.00737.35 O ATOM 29354 C2* C 01422 176.124 1.986 169.654 1.00737.35 C ATOM 29355 O2* C 01422 177.403 1.759 170.210 1.00737.35 O ATOM 29356 C1* C 01422 176.202 3.101 168.606 1.00737.35 C ATOM 29357 N1 C 01422 175.006 3.967 168.576 1.00737.35 N ATOM 29358 C2 C 01422 174.950 5.074 169.441 1.00737.35 C ATOM 29359 O2 C 01422 175.905 5.298 170.204 1.00737.35 O ATOM 29360 N3 C 01422 173.855 5.870 169.423 1.00737.35 N ATOM 29361 C4 C 01422 172.847 5.601 168.591 1.00737.35 C ATOM 29362 N4 C 01422 171.789 6.414 168.610 1.00737.35 N ATOM 29363 C5 C 01422 172.877 4.485 167.702 1.00737.35 C ATOM 29364 C6 C 01422 173.963 3.705 167.727 1.00737.35 C ATOM 29365 P A 01423 174.937 -1.194 170.356 1.00737.35 P ATOM 29366 O1P A 01423 175.512 -2.528 170.662 1.00737.35 O ATOM 29367 O2P A 01423 173.577 -1.099 169.765 1.00737.35 O ATOM 29368 O5* A 01423 174.965 -0.319 171.688 1.00737.35 O ATOM 29369 C5* A 01423 176.103 -0.325 172.547 1.00737.35 C ATOM 29370 C4* A 01423 175.877 0.586 173.732 1.00737.35 C ATOM 29371 O4* A 01423 175.777 1.961 173.276 1.00737.35 O ATOM 29372 C3* A 01423 174.594 0.357 174.513 1.00737.35 C ATOM 29373 O3* A 01423 174.746 -0.699 175.457 1.00737.35 O ATOM 29374 C2* A 01423 174.388 1.708 175.194 1.00737.35 C ATOM 29375 O2* A 01423 175.171 1.868 176.361 1.00737.35 O ATOM 29376 C1* A 01423 174.874 2.673 174.108 1.00737.35 C ATOM 29377 N9 A 01423 173.794 3.207 173.275 1.00737.35 N ATOM 29378 C8 A 01423 173.314 2.714 172.084 1.00737.35 C ATOM 29379 N7 A 01423 172.332 3.420 171.577 1.00737.35 N ATOM 29380 C5 A 01423 172.151 4.448 172.494 1.00737.35 C ATOM 29381 C6 A 01423 171.259 5.534 172.535 1.00737.35 C ATOM 29382 N6 A 01423 170.345 5.777 171.595 1.00737.35 N ATOM 29383 N1 A 01423 171.343 6.374 173.590 1.00737.35 N ATOM 29384 C2 A 01423 172.261 6.132 174.532 1.00737.35 C ATOM 29385 N3 A 01423 173.153 5.146 174.607 1.00737.35 N ATOM 29386 C4 A 01423 173.045 4.328 173.544 1.00737.35 C ATOM 29387 P U 01424 173.454 -1.513 175.959 1.00737.35 P ATOM 29388 O1P U 01424 173.944 -2.661 176.765 1.00737.35 O ATOM 29389 O2P U 01424 172.567 -1.763 174.794 1.00737.35 O ATOM 29390 O5* U 01424 172.715 -0.493 176.937 1.00737.35 O ATOM 29391 C5* U 01424 173.300 -0.123 178.186 1.00737.35 C ATOM 29392 C4* U 01424 172.464 0.935 178.868 1.00737.35 C ATOM 29393 O4* U 01424 172.458 2.141 178.060 1.00737.35 O ATOM 29394 C3* U 01424 170.991 0.606 179.055 1.00737.35 C ATOM 29395 O3* U 01424 170.785 -0.185 180.223 1.00737.35 O ATOM 29396 C2* U 01424 170.365 1.989 179.184 1.00737.35 C ATOM 29397 O2* U 01424 170.498 2.541 180.480 1.00737.35 O ATOM 29398 C1* U 01424 171.205 2.796 178.188 1.00737.35 C ATOM 29399 N1 U 01424 170.587 2.909 176.854 1.00737.35 N ATOM 29400 C2 U 01424 169.717 3.967 176.632 1.00737.35 C ATOM 29401 O2 U 01424 169.448 4.800 177.482 1.00737.35 O ATOM 29402 N3 U 01424 169.173 4.013 175.372 1.00737.35 N ATOM 29403 C4 U 01424 169.401 3.133 174.333 1.00737.35 C ATOM 29404 O4 U 01424 168.833 3.310 173.255 1.00737.35 O ATOM 29405 C5 U 01424 170.310 2.071 174.639 1.00737.35 C ATOM 29406 C6 U 01424 170.858 1.996 175.856 1.00737.35 C ATOM 29407 P G 01425 169.477 -1.113 180.341 1.00737.35 P ATOM 29408 O1P G 01425 169.637 -1.944 181.560 1.00737.35 O ATOM 29409 O2P G 01425 169.244 -1.775 179.029 1.00737.35 O ATOM 29410 O5* G 01425 168.292 -0.078 180.591 1.00737.35 O ATOM 29411 C5* G 01425 168.219 0.671 181.802 1.00737.35 C ATOM 29412 C4* G 01425 167.121 1.706 181.719 1.00737.35 C ATOM 29413 O4* G 01425 167.432 2.656 180.666 1.00737.35 O ATOM 29414 C3* G 01425 165.738 1.186 181.357 1.00737.35 C ATOM 29415 O3* G 01425 165.057 0.699 182.510 1.00737.35 O ATOM 29416 C2* G 01425 165.067 2.428 180.781 1.00737.35 C ATOM 29417 O2* G 01425 164.573 3.305 181.774 1.00737.35 O ATOM 29418 C1* G 01425 166.234 3.090 180.044 1.00737.35 C ATOM 29419 N9 G 01425 166.296 2.750 178.623 1.00737.35 N ATOM 29420 C8 G 01425 167.092 1.802 178.026 1.00737.35 C ATOM 29421 N7 G 01425 166.923 1.731 176.733 1.00737.35 N ATOM 29422 C5 G 01425 165.957 2.688 176.458 1.00737.35 C ATOM 29423 C6 G 01425 165.365 3.070 175.226 1.00737.35 C ATOM 29424 O6 G 01425 165.587 2.625 174.092 1.00737.35 O ATOM 29425 N1 G 01425 164.426 4.082 175.402 1.00737.35 N ATOM 29426 C2 G 01425 164.097 4.654 176.605 1.00737.35 C ATOM 29427 N2 G 01425 163.162 5.616 176.567 1.00737.35 N ATOM 29428 N3 G 01425 164.642 4.308 177.760 1.00737.35 N ATOM 29429 C4 G 01425 165.558 3.326 177.615 1.00737.35 C ATOM 29430 P U 01426 163.867 -0.371 182.345 1.00737.35 P ATOM 29431 O1P U 01426 163.466 -0.794 183.711 1.00737.35 O ATOM 29432 O2P U 01426 164.285 -1.394 181.354 1.00737.35 O ATOM 29433 O5* U 01426 162.672 0.475 181.714 1.00737.35 O ATOM 29434 C5* U 01426 162.069 1.547 182.438 1.00737.35 C ATOM 29435 C4* U 01426 161.116 2.314 181.551 1.00737.35 C ATOM 29436 O4* U 01426 161.855 2.889 180.440 1.00737.35 O ATOM 29437 C3* U 01426 160.019 1.495 180.889 1.00737.35 C ATOM 29438 O3* U 01426 158.904 1.339 181.761 1.00737.35 O ATOM 29439 C2* U 01426 159.666 2.350 179.675 1.00737.35 C ATOM 29440 O2* U 01426 158.795 3.421 179.986 1.00737.35 O ATOM 29441 C1* U 01426 161.039 2.899 179.278 1.00737.35 C ATOM 29442 N1 U 01426 161.705 2.122 178.220 1.00737.35 N ATOM 29443 C2 U 01426 161.397 2.423 176.900 1.00737.35 C ATOM 29444 O2 U 01426 160.605 3.299 176.583 1.00737.35 O ATOM 29445 N3 U 01426 162.053 1.663 175.963 1.00737.35 N ATOM 29446 C4 U 01426 162.966 0.653 176.201 1.00737.35 C ATOM 29447 O4 U 01426 163.477 0.063 175.249 1.00737.35 O ATOM 29448 C5 U 01426 163.229 0.401 177.584 1.00737.35 C ATOM 29449 C6 U 01426 162.608 1.122 178.521 1.00737.35 C ATOM 29450 P G 01427 158.108 -0.059 181.803 1.00737.35 P ATOM 29451 O1P G 01427 156.928 0.133 182.684 1.00737.35 O ATOM 29452 O2P G 01427 159.078 -1.140 182.104 1.00737.35 O ATOM 29453 O5* G 01427 157.586 -0.257 180.311 1.00737.35 O ATOM 29454 C5* G 01427 156.713 0.692 179.701 1.00737.35 C ATOM 29455 C4* G 01427 156.719 0.517 178.199 1.00737.35 C ATOM 29456 O4* G 01427 158.073 0.706 177.710 1.00737.35 O ATOM 29457 C3* G 01427 156.321 -0.860 177.694 1.00737.35 C ATOM 29458 O3* G 01427 154.906 -0.969 177.550 1.00737.35 O ATOM 29459 C2* G 01427 157.017 -0.919 176.337 1.00737.35 C ATOM 29460 O2* G 01427 156.309 -0.240 175.320 1.00737.35 O ATOM 29461 C1* G 01427 158.324 -0.184 176.636 1.00737.35 C ATOM 29462 N9 G 01427 159.415 -1.076 177.021 1.00737.35 N ATOM 29463 C8 G 01427 159.721 -1.521 178.286 1.00737.35 C ATOM 29464 N7 G 01427 160.756 -2.319 178.315 1.00737.35 N ATOM 29465 C5 G 01427 161.156 -2.407 176.989 1.00737.35 C ATOM 29466 C6 G 01427 162.227 -3.130 176.399 1.00737.35 C ATOM 29467 O6 G 01427 163.059 -3.860 176.951 1.00737.35 O ATOM 29468 N1 G 01427 162.276 -2.939 175.023 1.00737.35 N ATOM 29469 C2 G 01427 161.409 -2.155 174.302 1.00737.35 C ATOM 29470 N2 G 01427 161.621 -2.099 172.980 1.00737.35 N ATOM 29471 N3 G 01427 160.408 -1.477 174.838 1.00737.35 N ATOM 29472 C4 G 01427 160.342 -1.647 176.176 1.00737.35 C ATOM 29473 P G 01428 154.128 -2.232 178.178 1.00737.35 P ATOM 29474 O1P G 01428 152.815 -2.326 177.490 1.00737.35 O ATOM 29475 O2P G 01428 154.175 -2.114 179.659 1.00737.35 O ATOM 29476 O5* G 01428 155.001 -3.498 177.753 1.00737.35 O ATOM 29477 C5* G 01428 155.385 -3.712 176.396 1.00737.35 C ATOM 29478 C4* G 01428 156.558 -4.663 176.332 1.00737.35 C ATOM 29479 O4* G 01428 157.636 -4.128 177.145 1.00737.35 O ATOM 29480 C3* G 01428 156.302 -6.049 176.900 1.00737.35 C ATOM 29481 O3* G 01428 155.745 -6.897 175.902 1.00737.35 O ATOM 29482 C2* G 01428 157.703 -6.498 177.306 1.00737.35 C ATOM 29483 O2* G 01428 158.464 -6.987 176.221 1.00737.35 O ATOM 29484 C1* G 01428 158.306 -5.186 177.810 1.00737.35 C ATOM 29485 N9 G 01428 158.168 -4.980 179.251 1.00737.35 N ATOM 29486 C8 G 01428 156.999 -4.858 179.965 1.00737.35 C ATOM 29487 N7 G 01428 157.196 -4.682 181.243 1.00737.35 N ATOM 29488 C5 G 01428 158.577 -4.688 181.385 1.00737.35 C ATOM 29489 C6 G 01428 159.382 -4.537 182.542 1.00737.35 C ATOM 29490 O6 G 01428 159.023 -4.366 183.714 1.00737.35 O ATOM 29491 N1 G 01428 160.737 -4.601 182.235 1.00737.35 N ATOM 29492 C2 G 01428 161.252 -4.787 180.976 1.00737.35 C ATOM 29493 N2 G 01428 162.591 -4.821 180.887 1.00737.35 N ATOM 29494 N3 G 01428 160.514 -4.930 179.888 1.00737.35 N ATOM 29495 C4 G 01428 159.192 -4.869 180.164 1.00737.35 C ATOM 29496 P A 01429 154.292 -7.555 176.118 1.00737.35 P ATOM 29497 O1P A 01429 153.630 -6.874 177.263 1.00737.35 O ATOM 29498 O2P A 01429 154.456 -9.030 176.139 1.00737.35 O ATOM 29499 O5* A 01429 153.502 -7.166 174.791 1.00737.35 O ATOM 29500 C5* A 01429 153.225 -5.801 174.477 1.00737.35 C ATOM 29501 C4* A 01429 153.872 -5.421 173.163 1.00737.35 C ATOM 29502 O4* A 01429 155.303 -5.648 173.260 1.00737.35 O ATOM 29503 C3* A 01429 153.445 -6.233 171.949 1.00737.35 C ATOM 29504 O3* A 01429 152.256 -5.705 171.367 1.00737.35 O ATOM 29505 C2* A 01429 154.641 -6.074 171.020 1.00737.35 C ATOM 29506 O2* A 01429 154.641 -4.842 170.328 1.00737.35 O ATOM 29507 C1* A 01429 155.802 -6.110 172.015 1.00737.35 C ATOM 29508 N9 A 01429 156.356 -7.454 172.206 1.00737.35 N ATOM 29509 C8 A 01429 155.944 -8.422 173.091 1.00737.35 C ATOM 29510 N7 A 01429 156.635 -9.532 173.018 1.00737.35 N ATOM 29511 C5 A 01429 157.568 -9.281 172.020 1.00737.35 C ATOM 29512 C6 A 01429 158.595 -10.066 171.466 1.00737.35 C ATOM 29513 N6 A 01429 158.865 -11.315 171.855 1.00737.35 N ATOM 29514 N1 A 01429 159.343 -9.518 170.485 1.00737.35 N ATOM 29515 C2 A 01429 159.070 -8.265 170.095 1.00737.35 C ATOM 29516 N3 A 01429 158.132 -7.430 170.539 1.00737.35 N ATOM 29517 C4 A 01429 157.406 -8.004 171.512 1.00737.35 C ATOM 29518 P G 01430 151.345 -6.636 170.424 1.00737.35 P ATOM 29519 O1P G 01430 150.269 -5.778 169.865 1.00737.35 O ATOM 29520 O2P G 01430 150.985 -7.859 171.188 1.00737.35 O ATOM 29521 O5* G 01430 152.327 -7.064 169.241 1.00737.35 O ATOM 29522 C5* G 01430 152.427 -6.293 168.043 1.00737.35 C ATOM 29523 C4* G 01430 153.874 -6.152 167.631 1.00737.35 C ATOM 29524 O4* G 01430 154.495 -7.463 167.588 1.00737.35 O ATOM 29525 C3* G 01430 154.115 -5.571 166.246 1.00737.35 C ATOM 29526 O3* G 01430 154.085 -4.146 166.264 1.00737.35 O ATOM 29527 C2* G 01430 155.501 -6.109 165.908 1.00737.35 C ATOM 29528 O2* G 01430 156.547 -5.360 166.496 1.00737.35 O ATOM 29529 C1* G 01430 155.446 -7.504 166.536 1.00737.35 C ATOM 29530 N9 G 01430 155.051 -8.549 165.594 1.00737.35 N ATOM 29531 C8 G 01430 153.778 -9.011 165.351 1.00737.35 C ATOM 29532 N7 G 01430 153.739 -9.955 164.449 1.00737.35 N ATOM 29533 C5 G 01430 155.065 -10.128 164.073 1.00737.35 C ATOM 29534 C6 G 01430 155.642 -11.013 163.129 1.00737.35 C ATOM 29535 O6 G 01430 155.080 -11.852 162.414 1.00737.35 O ATOM 29536 N1 G 01430 157.023 -10.857 163.062 1.00737.35 N ATOM 29537 C2 G 01430 157.755 -9.963 163.802 1.00737.35 C ATOM 29538 N2 G 01430 159.080 -9.961 163.590 1.00737.35 N ATOM 29539 N3 G 01430 157.228 -9.133 164.687 1.00737.35 N ATOM 29540 C4 G 01430 155.886 -9.268 164.770 1.00737.35 C ATOM 29541 P U 01431 153.730 -3.338 164.920 1.00737.35 P ATOM 29542 O1P U 01431 153.660 -1.898 165.282 1.00737.35 O ATOM 29543 O2P U 01431 152.559 -3.987 164.275 1.00737.35 O ATOM 29544 O5* U 01431 155.001 -3.555 163.984 1.00737.35 O ATOM 29545 C5* U 01431 156.273 -3.012 164.336 1.00737.35 C ATOM 29546 C4* U 01431 157.332 -3.467 163.357 1.00737.35 C ATOM 29547 O4* U 01431 157.434 -4.916 163.402 1.00737.35 O ATOM 29548 C3* U 01431 157.069 -3.157 161.891 1.00737.35 C ATOM 29549 O3* U 01431 157.492 -1.834 161.563 1.00737.35 O ATOM 29550 C2* U 01431 157.926 -4.203 161.185 1.00737.35 C ATOM 29551 O2* U 01431 159.291 -3.843 161.104 1.00737.35 O ATOM 29552 C1* U 01431 157.763 -5.410 162.112 1.00737.35 C ATOM 29553 N1 U 01431 156.711 -6.345 161.680 1.00737.35 N ATOM 29554 C2 U 01431 157.055 -7.325 160.755 1.00737.35 C ATOM 29555 O2 U 01431 158.180 -7.441 160.296 1.00737.35 O ATOM 29556 N3 U 01431 156.029 -8.162 160.389 1.00737.35 N ATOM 29557 C4 U 01431 154.725 -8.128 160.840 1.00737.35 C ATOM 29558 O4 U 01431 153.915 -8.954 160.414 1.00737.35 O ATOM 29559 C5 U 01431 154.447 -7.094 161.789 1.00737.35 C ATOM 29560 C6 U 01431 155.423 -6.261 162.166 1.00737.35 C ATOM 29561 P G 01432 156.654 -0.967 160.496 1.00737.35 P ATOM 29562 O1P G 01432 157.422 0.277 160.241 1.00737.35 O ATOM 29563 O2P G 01432 155.248 -0.877 160.969 1.00737.35 O ATOM 29564 O5* G 01432 156.673 -1.848 159.167 1.00737.35 O ATOM 29565 C5* G 01432 157.904 -2.194 158.530 1.00737.35 C ATOM 29566 C4* G 01432 157.684 -3.314 157.541 1.00737.35 C ATOM 29567 O4* G 01432 157.141 -4.463 158.241 1.00737.35 O ATOM 29568 C3* G 01432 156.674 -3.031 156.437 1.00737.35 C ATOM 29569 O3* G 01432 157.293 -2.374 155.333 1.00737.35 O ATOM 29570 C2* G 01432 156.203 -4.430 156.058 1.00737.35 C ATOM 29571 O2* G 01432 157.094 -5.098 155.185 1.00737.35 O ATOM 29572 C1* G 01432 156.192 -5.126 157.420 1.00737.35 C ATOM 29573 N9 G 01432 154.890 -5.081 158.085 1.00737.35 N ATOM 29574 C8 G 01432 154.410 -4.090 158.909 1.00737.35 C ATOM 29575 N7 G 01432 153.208 -4.329 159.353 1.00737.35 N ATOM 29576 C5 G 01432 152.871 -5.554 158.791 1.00737.35 C ATOM 29577 C6 G 01432 151.687 -6.327 158.913 1.00737.35 C ATOM 29578 O6 G 01432 150.664 -6.075 159.562 1.00737.35 O ATOM 29579 N1 G 01432 151.767 -7.504 158.176 1.00737.35 N ATOM 29580 C2 G 01432 152.846 -7.892 157.421 1.00737.35 C ATOM 29581 N2 G 01432 152.729 -9.066 156.782 1.00737.35 N ATOM 29582 N3 G 01432 153.955 -7.181 157.299 1.00737.35 N ATOM 29583 C4 G 01432 153.900 -6.032 158.006 1.00737.35 C ATOM 29584 P A 01433 156.422 -1.412 154.384 1.00737.35 P ATOM 29585 O1P A 01433 156.479 -0.046 154.966 1.00737.35 O ATOM 29586 O2P A 01433 155.102 -2.051 154.141 1.00737.35 O ATOM 29587 O5* A 01433 157.232 -1.395 153.010 1.00737.35 O ATOM 29588 C5* A 01433 156.626 -0.926 151.808 1.00737.35 C ATOM 29589 C4* A 01433 157.253 -1.600 150.609 1.00737.35 C ATOM 29590 O4* A 01433 157.170 -3.040 150.772 1.00737.35 O ATOM 29591 C3* A 01433 156.565 -1.328 149.280 1.00737.35 C ATOM 29592 O3* A 01433 157.037 -0.119 148.691 1.00737.35 O ATOM 29593 C2* A 01433 156.964 -2.545 148.454 1.00737.35 C ATOM 29594 O2* A 01433 158.261 -2.439 147.897 1.00737.35 O ATOM 29595 C1* A 01433 156.944 -3.652 149.512 1.00737.35 C ATOM 29596 N9 A 01433 155.678 -4.384 149.570 1.00737.35 N ATOM 29597 C8 A 01433 154.702 -4.319 150.538 1.00737.35 C ATOM 29598 N7 A 01433 153.677 -5.101 150.310 1.00737.35 N ATOM 29599 C5 A 01433 153.991 -5.722 149.110 1.00737.35 C ATOM 29600 C6 A 01433 153.305 -6.668 148.328 1.00737.35 C ATOM 29601 N6 A 01433 152.112 -7.171 148.651 1.00737.35 N ATOM 29602 N1 A 01433 153.895 -7.084 147.186 1.00737.35 N ATOM 29603 C2 A 01433 155.091 -6.577 146.861 1.00737.35 C ATOM 29604 N3 A 01433 155.834 -5.685 147.513 1.00737.35 N ATOM 29605 C4 A 01433 155.220 -5.293 148.643 1.00737.35 C ATOM 29606 P U 01434 155.984 0.978 148.166 1.00737.35 P ATOM 29607 O1P U 01434 156.696 1.898 147.243 1.00737.35 O ATOM 29608 O2P U 01434 155.289 1.527 149.356 1.00737.35 O ATOM 29609 O5* U 01434 154.925 0.137 147.323 1.00737.35 O ATOM 29610 C5* U 01434 155.294 -0.501 146.100 1.00737.35 C ATOM 29611 C4* U 01434 154.240 -1.506 145.694 1.00737.35 C ATOM 29612 O4* U 01434 154.168 -2.554 146.699 1.00737.35 O ATOM 29613 C3* U 01434 152.818 -0.969 145.605 1.00737.35 C ATOM 29614 O3* U 01434 152.572 -0.380 144.332 1.00737.35 O ATOM 29615 C2* U 01434 151.981 -2.223 145.826 1.00737.35 C ATOM 29616 O2* U 01434 151.851 -3.017 144.664 1.00737.35 O ATOM 29617 C1* U 01434 152.819 -2.965 146.872 1.00737.35 C ATOM 29618 N1 U 01434 152.416 -2.681 148.260 1.00737.35 N ATOM 29619 C2 U 01434 151.394 -3.447 148.809 1.00737.35 C ATOM 29620 O2 U 01434 150.821 -4.333 148.197 1.00737.35 O ATOM 29621 N3 U 01434 151.074 -3.130 150.107 1.00737.35 N ATOM 29622 C4 U 01434 151.649 -2.156 150.897 1.00737.35 C ATOM 29623 O4 U 01434 151.255 -2.002 152.053 1.00737.35 O ATOM 29624 C5 U 01434 152.690 -1.411 150.259 1.00737.35 C ATOM 29625 C6 U 01434 153.029 -1.691 148.998 1.00737.35 C ATOM 29626 P G 01435 151.482 0.793 144.192 1.00737.35 P ATOM 29627 O1P G 01435 151.471 1.249 142.779 1.00737.35 O ATOM 29628 O2P G 01435 151.739 1.780 145.275 1.00737.35 O ATOM 29629 O5* G 01435 150.096 0.071 144.503 1.00737.35 O ATOM 29630 C5* G 01435 149.509 -0.827 143.564 1.00737.35 C ATOM 29631 C4* G 01435 148.203 -1.368 144.098 1.00737.35 C ATOM 29632 O4* G 01435 148.457 -2.173 145.279 1.00737.35 O ATOM 29633 C3* G 01435 147.195 -0.327 144.563 1.00737.35 C ATOM 29634 O3* G 01435 146.432 0.171 143.465 1.00737.35 O ATOM 29635 C2* G 01435 146.340 -1.118 145.544 1.00737.35 C ATOM 29636 O2* G 01435 145.354 -1.909 144.910 1.00737.35 O ATOM 29637 C1* G 01435 147.388 -2.024 146.198 1.00737.35 C ATOM 29638 N9 G 01435 147.924 -1.490 147.448 1.00737.35 N ATOM 29639 C8 G 01435 148.875 -0.507 147.593 1.00737.35 C ATOM 29640 N7 G 01435 149.151 -0.240 148.840 1.00737.35 N ATOM 29641 C5 G 01435 148.334 -1.097 149.566 1.00737.35 C ATOM 29642 C6 G 01435 148.192 -1.265 150.967 1.00737.35 C ATOM 29643 O6 G 01435 148.780 -0.670 151.878 1.00737.35 O ATOM 29644 N1 G 01435 147.255 -2.245 151.273 1.00737.35 N ATOM 29645 C2 G 01435 146.541 -2.972 150.350 1.00737.35 C ATOM 29646 N2 G 01435 145.682 -3.874 150.844 1.00737.35 N ATOM 29647 N3 G 01435 146.662 -2.824 149.040 1.00737.35 N ATOM 29648 C4 G 01435 147.571 -1.877 148.720 1.00737.35 C ATOM 29649 P G 01436 146.074 1.736 143.388 1.00737.35 P ATOM 29650 O1P G 01436 145.322 1.975 142.128 1.00737.35 O ATOM 29651 O2P G 01436 147.319 2.499 143.653 1.00737.35 O ATOM 29652 O5* G 01436 145.084 1.967 144.616 1.00737.35 O ATOM 29653 C5* G 01436 143.755 1.451 144.595 1.00737.35 C ATOM 29654 C4* G 01436 143.093 1.648 145.940 1.00737.35 C ATOM 29655 O4* G 01436 143.815 0.886 146.945 1.00737.35 O ATOM 29656 C3* G 01436 143.084 3.070 146.476 1.00737.35 C ATOM 29657 O3* G 01436 141.988 3.809 145.945 1.00737.35 O ATOM 29658 C2* G 01436 142.953 2.847 147.978 1.00737.35 C ATOM 29659 O2* G 01436 141.623 2.596 148.389 1.00737.35 O ATOM 29660 C1* G 01436 143.802 1.590 148.175 1.00737.35 C ATOM 29661 N9 G 01436 145.183 1.871 148.560 1.00737.35 N ATOM 29662 C8 G 01436 146.219 2.240 147.731 1.00737.35 C ATOM 29663 N7 G 01436 147.344 2.422 148.369 1.00737.35 N ATOM 29664 C5 G 01436 147.036 2.158 149.696 1.00737.35 C ATOM 29665 C6 G 01436 147.856 2.192 150.854 1.00737.35 C ATOM 29666 O6 G 01436 149.058 2.468 150.939 1.00737.35 O ATOM 29667 N1 G 01436 147.139 1.856 151.996 1.00737.35 N ATOM 29668 C2 G 01436 145.805 1.529 152.028 1.00737.35 C ATOM 29669 N2 G 01436 145.296 1.235 153.231 1.00737.35 N ATOM 29670 N3 G 01436 145.030 1.495 150.956 1.00737.35 N ATOM 29671 C4 G 01436 145.707 1.817 149.832 1.00737.35 C ATOM 29672 P A 01437 142.060 5.414 145.889 1.00737.35 P ATOM 29673 O1P A 01437 140.907 5.878 145.075 1.00737.35 O ATOM 29674 O2P A 01437 143.438 5.818 145.501 1.00737.35 O ATOM 29675 O5* A 01437 141.817 5.862 147.399 1.00737.35 O ATOM 29676 C5* A 01437 140.534 5.720 148.009 1.00737.35 C ATOM 29677 C4* A 01437 140.610 6.061 149.481 1.00737.35 C ATOM 29678 O4* A 01437 141.478 5.110 150.151 1.00737.35 O ATOM 29679 C3* A 01437 141.204 7.420 149.817 1.00737.35 C ATOM 29680 O3* A 01437 140.225 8.448 149.735 1.00737.35 O ATOM 29681 C2* A 01437 141.698 7.210 151.243 1.00737.35 C ATOM 29682 O2* A 01437 140.670 7.321 152.208 1.00737.35 O ATOM 29683 C1* A 01437 142.198 5.765 151.183 1.00737.35 C ATOM 29684 N9 A 01437 143.628 5.659 150.886 1.00737.35 N ATOM 29685 C8 A 01437 144.236 5.612 149.653 1.00737.35 C ATOM 29686 N7 A 01437 145.541 5.516 149.710 1.00737.35 N ATOM 29687 C5 A 01437 145.815 5.500 151.071 1.00737.35 C ATOM 29688 C6 A 01437 147.019 5.416 151.791 1.00737.35 C ATOM 29689 N6 A 01437 148.222 5.329 151.217 1.00737.35 N ATOM 29690 N1 A 01437 146.944 5.425 153.141 1.00737.35 N ATOM 29691 C2 A 01437 145.739 5.512 153.715 1.00737.35 C ATOM 29692 N3 A 01437 144.537 5.596 153.147 1.00737.35 N ATOM 29693 C4 A 01437 144.647 5.586 151.807 1.00737.35 C ATOM 29694 P G 01438 140.672 9.953 149.385 1.00737.35 P ATOM 29695 O1P G 01438 139.434 10.766 149.278 1.00737.35 O ATOM 29696 O2P G 01438 141.620 9.910 148.244 1.00737.35 O ATOM 29697 O5* G 01438 141.474 10.425 150.679 1.00737.35 O ATOM 29698 C5* G 01438 140.797 10.699 151.905 1.00737.35 C ATOM 29699 C4* G 01438 141.790 11.045 152.990 1.00737.35 C ATOM 29700 O4* G 01438 142.626 9.889 153.264 1.00737.35 O ATOM 29701 C3* G 01438 142.779 12.149 152.655 1.00737.35 C ATOM 29702 O3* G 01438 142.220 13.436 152.906 1.00737.35 O ATOM 29703 C2* G 01438 143.937 11.846 153.599 1.00737.35 C ATOM 29704 O2* G 01438 143.724 12.331 154.912 1.00737.35 O ATOM 29705 C1* G 01438 143.936 10.315 153.604 1.00737.35 C ATOM 29706 N9 G 01438 144.883 9.724 152.664 1.00737.35 N ATOM 29707 C8 G 01438 144.599 9.129 151.455 1.00737.35 C ATOM 29708 N7 G 01438 145.660 8.685 150.840 1.00737.35 N ATOM 29709 C5 G 01438 146.711 9.006 151.691 1.00737.35 C ATOM 29710 C6 G 01438 148.104 8.772 151.559 1.00737.35 C ATOM 29711 O6 G 01438 148.710 8.214 150.635 1.00737.35 O ATOM 29712 N1 G 01438 148.810 9.264 152.651 1.00737.35 N ATOM 29713 C2 G 01438 148.250 9.898 153.733 1.00737.35 C ATOM 29714 N2 G 01438 149.101 10.306 154.687 1.00737.35 N ATOM 29715 N3 G 01438 146.953 10.118 153.871 1.00737.35 N ATOM 29716 C4 G 01438 146.247 9.649 152.818 1.00737.35 C ATOM 29717 P G 01439 142.535 14.652 151.903 1.00737.35 P ATOM 29718 O1P G 01439 142.037 15.895 152.544 1.00737.35 O ATOM 29719 O2P G 01439 142.042 14.278 150.551 1.00737.35 O ATOM 29720 O5* G 01439 144.127 14.712 151.853 1.00737.35 O ATOM 29721 C5* G 01439 144.881 15.179 152.967 1.00737.35 C ATOM 29722 C4* G 01439 146.361 15.037 152.694 1.00737.35 C ATOM 29723 O4* G 01439 146.700 13.629 152.589 1.00737.35 O ATOM 29724 C3* G 01439 146.848 15.645 151.387 1.00737.35 C ATOM 29725 O3* G 01439 147.118 17.034 151.537 1.00737.35 O ATOM 29726 C2* G 01439 148.110 14.839 151.104 1.00737.35 C ATOM 29727 O2* G 01439 149.235 15.290 151.835 1.00737.35 O ATOM 29728 C1* G 01439 147.698 13.448 151.596 1.00737.35 C ATOM 29729 N9 G 01439 147.151 12.595 150.543 1.00737.35 N ATOM 29730 C8 G 01439 145.836 12.489 150.160 1.00737.35 C ATOM 29731 N7 G 01439 145.651 11.637 149.187 1.00737.35 N ATOM 29732 C5 G 01439 146.921 11.152 148.910 1.00737.35 C ATOM 29733 C6 G 01439 147.351 10.198 147.949 1.00737.35 C ATOM 29734 O6 G 01439 146.670 9.570 147.130 1.00737.35 O ATOM 29735 N1 G 01439 148.725 10.002 148.006 1.00737.35 N ATOM 29736 C2 G 01439 149.580 10.636 148.872 1.00737.35 C ATOM 29737 N2 G 01439 150.877 10.307 148.768 1.00737.35 N ATOM 29738 N3 G 01439 149.193 11.526 149.772 1.00737.35 N ATOM 29739 C4 G 01439 147.860 11.735 149.735 1.00737.35 C ATOM 29740 P G 01440 146.764 18.048 150.341 1.00737.35 P ATOM 29741 O1P G 01440 146.976 19.427 150.854 1.00737.35 O ATOM 29742 O2P G 01440 145.438 17.674 149.783 1.00737.35 O ATOM 29743 O5* G 01440 147.869 17.743 149.235 1.00737.35 O ATOM 29744 C5* G 01440 149.151 18.364 149.287 1.00737.35 C ATOM 29745 C4* G 01440 149.879 18.176 147.975 1.00737.35 C ATOM 29746 O4* G 01440 150.200 16.772 147.793 1.00737.35 O ATOM 29747 C3* G 01440 149.095 18.542 146.725 1.00737.35 C ATOM 29748 O3* G 01440 149.154 19.944 146.469 1.00737.35 O ATOM 29749 C2* G 01440 149.807 17.729 145.650 1.00737.35 C ATOM 29750 O2* G 01440 150.998 18.336 145.190 1.00737.35 O ATOM 29751 C1* G 01440 150.138 16.444 146.414 1.00737.35 C ATOM 29752 N9 G 01440 149.148 15.385 146.236 1.00737.35 N ATOM 29753 C8 G 01440 147.831 15.401 146.629 1.00737.35 C ATOM 29754 N7 G 01440 147.191 14.307 146.323 1.00737.35 N ATOM 29755 C5 G 01440 148.141 13.518 145.691 1.00737.35 C ATOM 29756 C6 G 01440 148.031 12.215 145.135 1.00737.35 C ATOM 29757 O6 G 01440 147.037 11.479 145.086 1.00737.35 O ATOM 29758 N1 G 01440 149.239 11.787 144.596 1.00737.35 N ATOM 29759 C2 G 01440 150.403 12.513 144.588 1.00737.35 C ATOM 29760 N2 G 01440 151.465 11.922 144.023 1.00737.35 N ATOM 29761 N3 G 01440 150.517 13.728 145.097 1.00737.35 N ATOM 29762 C4 G 01440 149.355 14.164 145.629 1.00737.35 C ATOM 29763 P A 01441 147.801 20.817 146.484 1.00737.35 P ATOM 29764 O1P A 01441 148.207 22.240 146.604 1.00737.35 O ATOM 29765 O2P A 01441 146.866 20.237 147.483 1.00737.35 O ATOM 29766 O5* A 01441 147.168 20.615 145.033 1.00737.35 O ATOM 29767 C5* A 01441 147.019 19.317 144.461 1.00737.35 C ATOM 29768 C4* A 01441 145.808 19.279 143.558 1.00737.35 C ATOM 29769 O4* A 01441 145.802 18.033 142.815 1.00737.35 O ATOM 29770 C3* A 01441 144.460 19.305 144.265 1.00737.35 C ATOM 29771 O3* A 01441 144.064 20.638 144.571 1.00737.35 O ATOM 29772 C2* A 01441 143.543 18.655 143.232 1.00737.35 C ATOM 29773 O2* A 01441 143.123 19.551 142.223 1.00737.35 O ATOM 29774 C1* A 01441 144.466 17.592 142.630 1.00737.35 C ATOM 29775 N9 A 01441 144.326 16.274 143.251 1.00737.35 N ATOM 29776 C8 A 01441 144.877 15.827 144.427 1.00737.35 C ATOM 29777 N7 A 01441 144.568 14.588 144.720 1.00737.35 N ATOM 29778 C5 A 01441 143.755 14.189 143.668 1.00737.35 C ATOM 29779 C6 A 01441 143.101 12.978 143.386 1.00737.35 C ATOM 29780 N6 A 01441 143.163 11.901 144.173 1.00737.35 N ATOM 29781 N1 A 01441 142.369 12.910 142.252 1.00737.35 N ATOM 29782 C2 A 01441 142.307 13.988 141.462 1.00737.35 C ATOM 29783 N3 A 01441 142.878 15.181 141.621 1.00737.35 N ATOM 29784 C4 A 01441 143.598 15.217 142.755 1.00737.35 C ATOM 29785 P C 01442 143.020 20.905 145.765 1.00737.35 P ATOM 29786 O1P C 01442 143.451 20.094 146.932 1.00737.35 O ATOM 29787 O2P C 01442 141.645 20.741 145.226 1.00737.35 O ATOM 29788 O5* C 01442 143.237 22.442 146.131 1.00737.35 O ATOM 29789 C5* C 01442 143.069 23.462 145.151 1.00737.35 C ATOM 29790 C4* C 01442 144.262 24.389 145.158 1.00737.35 C ATOM 29791 O4* C 01442 145.460 23.616 144.885 1.00737.35 O ATOM 29792 C3* C 01442 144.257 25.476 144.097 1.00737.35 C ATOM 29793 O3* C 01442 143.527 26.612 144.553 1.00737.35 O ATOM 29794 C2* C 01442 145.745 25.779 143.936 1.00737.35 C ATOM 29795 O2* C 01442 146.250 26.637 144.938 1.00737.35 O ATOM 29796 C1* C 01442 146.355 24.383 144.093 1.00737.35 C ATOM 29797 N1 C 01442 146.575 23.680 142.812 1.00737.35 N ATOM 29798 C2 C 01442 147.790 23.868 142.133 1.00737.35 C ATOM 29799 O2 C 01442 148.651 24.617 142.625 1.00737.35 O ATOM 29800 N3 C 01442 147.996 23.229 140.960 1.00737.35 N ATOM 29801 C4 C 01442 147.048 22.430 140.459 1.00737.35 C ATOM 29802 N4 C 01442 147.296 21.820 139.298 1.00737.35 N ATOM 29803 C5 C 01442 145.807 22.223 141.125 1.00737.35 C ATOM 29804 C6 C 01442 145.614 22.860 142.287 1.00737.35 C ATOM 29805 P G 01443 143.065 27.746 143.509 1.00737.35 P ATOM 29806 O1P G 01443 144.297 28.371 142.960 1.00737.35 O ATOM 29807 O2P G 01443 142.051 28.597 144.181 1.00737.35 O ATOM 29808 O5* G 01443 142.333 26.940 142.341 1.00737.35 O ATOM 29809 C5* G 01443 142.992 26.673 141.103 1.00737.35 C ATOM 29810 C4* G 01443 142.233 27.309 139.961 1.00737.35 C ATOM 29811 O4* G 01443 140.933 26.678 139.829 1.00737.35 O ATOM 29812 C3* G 01443 141.923 28.789 140.124 1.00737.35 C ATOM 29813 O3* G 01443 143.027 29.586 139.698 1.00737.35 O ATOM 29814 C2* G 01443 140.704 28.970 139.226 1.00737.35 C ATOM 29815 O2* G 01443 141.037 29.121 137.861 1.00737.35 O ATOM 29816 C1* G 01443 139.969 27.646 139.439 1.00737.35 C ATOM 29817 N9 G 01443 138.922 27.694 140.459 1.00737.35 N ATOM 29818 C8 G 01443 138.942 27.101 141.700 1.00737.35 C ATOM 29819 N7 G 01443 137.853 27.308 142.386 1.00737.35 N ATOM 29820 C5 G 01443 137.063 28.089 141.552 1.00737.35 C ATOM 29821 C6 G 01443 135.763 28.624 141.754 1.00737.35 C ATOM 29822 O6 G 01443 135.026 28.507 142.741 1.00737.35 O ATOM 29823 N1 G 01443 135.339 29.360 140.654 1.00737.35 N ATOM 29824 C2 G 01443 136.064 29.555 139.506 1.00737.35 C ATOM 29825 N2 G 01443 135.478 30.300 138.556 1.00737.35 N ATOM 29826 N3 G 01443 137.274 29.060 139.303 1.00737.35 N ATOM 29827 C4 G 01443 137.709 28.341 140.361 1.00737.35 C ATOM 29828 P C 01444 143.290 31.017 140.386 1.00737.35 P ATOM 29829 O1P C 01444 144.623 31.487 139.926 1.00737.35 O ATOM 29830 O2P C 01444 143.019 30.904 141.842 1.00737.35 O ATOM 29831 O5* C 01444 142.180 31.964 139.747 1.00737.35 O ATOM 29832 C5* C 01444 142.231 32.329 138.368 1.00737.35 C ATOM 29833 C4* C 01444 140.985 33.091 137.979 1.00737.35 C ATOM 29834 O4* C 01444 139.827 32.226 138.141 1.00737.35 O ATOM 29835 C3* C 01444 140.664 34.313 138.824 1.00737.35 C ATOM 29836 O3* C 01444 141.373 35.458 138.361 1.00737.35 O ATOM 29837 C2* C 01444 139.160 34.455 138.630 1.00737.35 C ATOM 29838 O2* C 01444 138.812 35.086 137.412 1.00737.35 O ATOM 29839 C1* C 01444 138.719 32.990 138.598 1.00737.35 C ATOM 29840 N1 C 01444 138.302 32.475 139.921 1.00737.35 N ATOM 29841 C2 C 01444 136.978 32.683 140.343 1.00737.35 C ATOM 29842 O2 C 01444 136.191 33.294 139.602 1.00737.35 O ATOM 29843 N3 C 01444 136.594 32.212 141.553 1.00737.35 N ATOM 29844 C4 C 01444 137.465 31.561 142.326 1.00737.35 C ATOM 29845 N4 C 01444 137.038 31.113 143.510 1.00737.35 N ATOM 29846 C5 C 01444 138.813 31.338 141.921 1.00737.35 C ATOM 29847 C6 C 01444 139.186 31.806 140.725 1.00737.35 C ATOM 29848 P A 01445 141.671 36.676 139.371 1.00737.35 P ATOM 29849 O1P A 01445 142.475 37.680 138.628 1.00737.35 O ATOM 29850 O2P A 01445 142.189 36.117 140.644 1.00737.35 O ATOM 29851 O5* A 01445 140.230 37.301 139.651 1.00737.35 O ATOM 29852 C5* A 01445 139.500 37.953 138.614 1.00737.35 C ATOM 29853 C4* A 01445 138.089 38.253 139.070 1.00737.35 C ATOM 29854 O4* A 01445 137.396 37.007 139.340 1.00737.35 O ATOM 29855 C3* A 01445 137.960 39.043 140.366 1.00737.35 C ATOM 29856 O3* A 01445 138.067 40.443 140.124 1.00737.35 O ATOM 29857 C2* A 01445 136.565 38.655 140.840 1.00737.35 C ATOM 29858 O2* A 01445 135.536 39.379 140.195 1.00737.35 O ATOM 29859 C1* A 01445 136.500 37.183 140.427 1.00737.35 C ATOM 29860 N9 A 01445 136.878 36.259 141.498 1.00737.35 N ATOM 29861 C8 A 01445 138.093 35.653 141.708 1.00737.35 C ATOM 29862 N7 A 01445 138.122 34.868 142.759 1.00737.35 N ATOM 29863 C5 A 01445 136.839 34.965 143.280 1.00737.35 C ATOM 29864 C6 A 01445 136.223 34.371 144.397 1.00737.35 C ATOM 29865 N6 A 01445 136.846 33.527 145.220 1.00737.35 N ATOM 29866 N1 A 01445 134.931 34.680 144.640 1.00737.35 N ATOM 29867 C2 A 01445 134.307 35.527 143.810 1.00737.35 C ATOM 29868 N3 A 01445 134.774 36.145 142.727 1.00737.35 N ATOM 29869 C4 A 01445 136.062 35.818 142.515 1.00737.35 C ATOM 29870 P U 01446 138.620 41.412 141.284 1.00737.35 P ATOM 29871 O1P U 01446 138.581 42.799 140.754 1.00737.35 O ATOM 29872 O2P U 01446 139.900 40.859 141.792 1.00737.35 O ATOM 29873 O5* U 01446 137.531 41.294 142.442 1.00737.35 O ATOM 29874 C5* U 01446 136.192 41.748 142.238 1.00737.35 C ATOM 29875 C4* U 01446 135.293 41.240 143.343 1.00737.35 C ATOM 29876 O4* U 01446 135.288 39.789 143.325 1.00737.35 O ATOM 29877 C3* U 01446 135.716 41.599 144.759 1.00737.35 C ATOM 29878 O3* U 01446 135.241 42.892 145.123 1.00737.35 O ATOM 29879 C2* U 01446 135.057 40.497 145.580 1.00737.35 C ATOM 29880 O2* U 01446 133.682 40.732 145.823 1.00737.35 O ATOM 29881 C1* U 01446 135.217 39.292 144.652 1.00737.35 C ATOM 29882 N1 U 01446 136.429 38.496 144.924 1.00737.35 N ATOM 29883 C2 U 01446 136.353 37.509 145.896 1.00737.35 C ATOM 29884 O2 U 01446 135.333 37.273 146.530 1.00737.35 O ATOM 29885 N3 U 01446 137.515 36.808 146.101 1.00737.35 N ATOM 29886 C4 U 01446 138.720 36.983 145.453 1.00737.35 C ATOM 29887 O4 U 01446 139.679 36.271 145.752 1.00737.35 O ATOM 29888 C5 U 01446 138.720 38.017 144.465 1.00737.35 C ATOM 29889 C6 U 01446 137.606 38.721 144.239 1.00737.35 C ATOM 29890 P U 01447 135.995 43.727 146.274 1.00737.35 P ATOM 29891 O1P U 01447 135.344 45.060 146.351 1.00737.35 O ATOM 29892 O2P U 01447 137.459 43.637 146.044 1.00737.35 O ATOM 29893 O5* U 01447 135.653 42.930 147.614 1.00737.35 O ATOM 29894 C5* U 01447 134.307 42.808 148.069 1.00737.35 C ATOM 29895 C4* U 01447 134.212 41.755 149.148 1.00737.35 C ATOM 29896 O4* U 01447 134.631 40.474 148.609 1.00737.35 O ATOM 29897 C3* U 01447 135.108 41.961 150.361 1.00737.35 C ATOM 29898 O3* U 01447 134.491 42.832 151.307 1.00737.35 O ATOM 29899 C2* U 01447 135.251 40.543 150.903 1.00737.35 C ATOM 29900 O2* U 01447 134.145 40.129 151.679 1.00737.35 O ATOM 29901 C1* U 01447 135.311 39.730 149.608 1.00737.35 C ATOM 29902 N1 U 01447 136.684 39.460 149.147 1.00737.35 N ATOM 29903 C2 U 01447 137.329 38.344 149.657 1.00737.35 C ATOM 29904 O2 U 01447 136.810 37.582 150.460 1.00737.35 O ATOM 29905 N3 U 01447 138.606 38.148 149.191 1.00737.35 N ATOM 29906 C4 U 01447 139.293 38.936 148.292 1.00737.35 C ATOM 29907 O4 U 01447 140.442 38.625 147.970 1.00737.35 O ATOM 29908 C5 U 01447 138.564 40.068 147.809 1.00737.35 C ATOM 29909 C6 U 01447 137.317 40.287 148.241 1.00737.35 C ATOM 29910 P A 01448 135.377 43.515 152.464 1.00737.35 P ATOM 29911 O1P A 01448 134.982 44.946 152.529 1.00737.35 O ATOM 29912 O2P A 01448 136.806 43.159 152.264 1.00737.35 O ATOM 29913 O5* A 01448 134.875 42.801 153.798 1.00737.35 O ATOM 29914 C5* A 01448 133.536 42.973 154.260 1.00737.35 C ATOM 29915 C4* A 01448 133.291 42.129 155.491 1.00737.35 C ATOM 29916 O4* A 01448 133.397 40.724 155.144 1.00737.35 O ATOM 29917 C3* A 01448 134.285 42.308 156.626 1.00737.35 C ATOM 29918 O3* A 01448 133.941 43.431 157.435 1.00737.35 O ATOM 29919 C2* A 01448 134.151 40.992 157.384 1.00737.35 C ATOM 29920 O2* A 01448 133.033 40.962 158.252 1.00737.35 O ATOM 29921 C1* A 01448 133.942 40.002 156.235 1.00737.35 C ATOM 29922 N9 A 01448 135.179 39.352 155.794 1.00737.35 N ATOM 29923 C8 A 01448 136.079 39.796 154.853 1.00737.35 C ATOM 29924 N7 A 01448 137.097 38.992 154.676 1.00737.35 N ATOM 29925 C5 A 01448 136.854 37.946 155.559 1.00737.35 C ATOM 29926 C6 A 01448 137.568 36.770 155.851 1.00737.35 C ATOM 29927 N6 A 01448 138.717 36.437 155.263 1.00737.35 N ATOM 29928 N1 A 01448 137.052 35.937 156.780 1.00737.35 N ATOM 29929 C2 A 01448 135.898 36.274 157.371 1.00737.35 C ATOM 29930 N3 A 01448 135.136 37.349 157.182 1.00737.35 N ATOM 29931 C4 A 01448 135.675 38.156 156.251 1.00737.35 C ATOM 29932 P C 01449 135.102 44.298 158.132 1.00737.35 P ATOM 29933 O1P C 01449 134.466 45.534 158.663 1.00737.35 O ATOM 29934 O2P C 01449 136.242 44.413 157.186 1.00737.35 O ATOM 29935 O5* C 01449 135.567 43.402 159.364 1.00737.35 O ATOM 29936 C5* C 01449 134.775 43.313 160.548 1.00737.35 C ATOM 29937 C4* C 01449 135.388 42.335 161.521 1.00737.35 C ATOM 29938 O4* C 01449 135.368 41.002 160.945 1.00737.35 O ATOM 29939 C3* C 01449 136.852 42.567 161.867 1.00737.35 C ATOM 29940 O3* C 01449 137.004 43.543 162.892 1.00737.35 O ATOM 29941 C2* C 01449 137.294 41.183 162.325 1.00737.35 C ATOM 29942 O2* C 01449 136.912 40.886 163.650 1.00737.35 O ATOM 29943 C1* C 01449 136.529 40.288 161.346 1.00737.35 C ATOM 29944 N1 C 01449 137.320 39.955 160.145 1.00737.35 N ATOM 29945 C2 C 01449 138.177 38.843 160.181 1.00737.35 C ATOM 29946 O2 C 01449 138.238 38.158 161.218 1.00737.35 O ATOM 29947 N3 C 01449 138.916 38.544 159.089 1.00737.35 N ATOM 29948 C4 C 01449 138.826 39.301 157.992 1.00737.35 C ATOM 29949 N4 C 01449 139.580 38.973 156.940 1.00737.35 N ATOM 29950 C5 C 01449 137.958 40.430 157.922 1.00737.35 C ATOM 29951 C6 C 01449 137.231 40.716 159.008 1.00737.35 C ATOM 29952 P G 01450 138.374 44.383 162.994 1.00737.35 P ATOM 29953 O1P G 01450 138.227 45.326 164.133 1.00737.35 O ATOM 29954 O2P G 01450 138.705 44.910 161.644 1.00737.35 O ATOM 29955 O5* G 01450 139.465 43.290 163.386 1.00737.35 O ATOM 29956 C5* G 01450 139.418 42.632 164.650 1.00737.35 C ATOM 29957 C4* G 01450 140.613 41.721 164.821 1.00737.35 C ATOM 29958 O4* G 01450 140.548 40.636 163.860 1.00737.35 O ATOM 29959 C3* G 01450 141.979 42.341 164.575 1.00737.35 C ATOM 29960 O3* G 01450 142.428 43.059 165.722 1.00737.35 O ATOM 29961 C2* G 01450 142.840 41.114 164.297 1.00737.35 C ATOM 29962 O2* G 01450 143.260 40.453 165.474 1.00737.35 O ATOM 29963 C1* G 01450 141.863 40.220 163.527 1.00737.35 C ATOM 29964 N9 G 01450 142.029 40.282 162.075 1.00737.35 N ATOM 29965 C8 G 01450 141.239 40.947 161.169 1.00737.35 C ATOM 29966 N7 G 01450 141.645 40.811 159.936 1.00737.35 N ATOM 29967 C5 G 01450 142.774 40.009 160.031 1.00737.35 C ATOM 29968 C6 G 01450 143.646 39.522 159.019 1.00737.35 C ATOM 29969 O6 G 01450 143.590 39.708 157.798 1.00737.35 O ATOM 29970 N1 G 01450 144.665 38.745 159.557 1.00737.35 N ATOM 29971 C2 G 01450 144.832 38.468 160.890 1.00737.35 C ATOM 29972 N2 G 01450 145.884 37.700 161.212 1.00737.35 N ATOM 29973 N3 G 01450 144.027 38.913 161.843 1.00737.35 N ATOM 29974 C4 G 01450 143.026 39.674 161.345 1.00737.35 C ATOM 29975 P C 01451 143.523 44.227 165.551 1.00737.35 P ATOM 29976 O1P C 01451 143.677 44.882 166.875 1.00737.35 O ATOM 29977 O2P C 01451 143.164 45.046 164.364 1.00737.35 O ATOM 29978 O5* C 01451 144.872 43.443 165.225 1.00737.35 O ATOM 29979 C5* C 01451 145.416 42.509 166.155 1.00737.35 C ATOM 29980 C4* C 01451 146.538 41.722 165.519 1.00737.35 C ATOM 29981 O4* C 01451 146.022 40.970 164.388 1.00737.35 O ATOM 29982 C3* C 01451 147.679 42.539 164.933 1.00737.35 C ATOM 29983 O3* C 01451 148.616 42.897 165.943 1.00737.35 O ATOM 29984 C2* C 01451 148.277 41.571 163.917 1.00737.35 C ATOM 29985 O2* C 01451 149.144 40.617 164.498 1.00737.35 O ATOM 29986 C1* C 01451 147.024 40.867 163.388 1.00737.35 C ATOM 29987 N1 C 01451 146.507 41.436 162.125 1.00737.35 N ATOM 29988 C2 C 01451 147.101 41.047 160.912 1.00737.35 C ATOM 29989 O2 C 01451 148.047 40.242 160.930 1.00737.35 O ATOM 29990 N3 C 01451 146.630 41.557 159.753 1.00737.35 N ATOM 29991 C4 C 01451 145.615 42.424 159.766 1.00737.35 C ATOM 29992 N4 C 01451 145.186 42.900 158.595 1.00737.35 N ATOM 29993 C5 C 01451 144.995 42.841 160.981 1.00737.35 C ATOM 29994 C6 C 01451 145.468 42.328 162.125 1.00737.35 C ATOM 29995 P U 01452 149.567 44.177 165.736 1.00737.35 P ATOM 29996 O1P U 01452 150.312 44.383 167.003 1.00737.35 O ATOM 29997 O2P U 01452 148.752 45.289 165.177 1.00737.35 O ATOM 29998 O5* U 01452 150.602 43.709 164.620 1.00737.35 O ATOM 29999 C5* U 01452 151.452 42.583 164.835 1.00737.35 C ATOM 30000 C4* U 01452 152.150 42.198 163.552 1.00737.35 C ATOM 30001 O4* U 01452 151.160 41.820 162.558 1.00737.35 O ATOM 30002 C3* U 01452 152.956 43.300 162.888 1.00737.35 C ATOM 30003 O3* U 01452 154.261 43.375 163.455 1.00737.35 O ATOM 30004 C2* U 01452 152.982 42.852 161.430 1.00737.35 C ATOM 30005 O2* U 01452 153.961 41.864 161.169 1.00737.35 O ATOM 30006 C1* U 01452 151.584 42.248 161.274 1.00737.35 C ATOM 30007 N1 U 01452 150.580 43.184 160.733 1.00737.35 N ATOM 30008 C2 U 01452 150.561 43.393 159.360 1.00737.35 C ATOM 30009 O2 U 01452 151.337 42.848 158.590 1.00737.35 O ATOM 30010 N3 U 01452 149.598 44.269 158.922 1.00737.35 N ATOM 30011 C4 U 01452 148.674 44.943 159.692 1.00737.35 C ATOM 30012 O4 U 01452 147.863 45.695 159.146 1.00737.35 O ATOM 30013 C5 U 01452 148.761 44.681 161.096 1.00737.35 C ATOM 30014 C6 U 01452 149.685 43.833 161.556 1.00737.35 C ATOM 30015 P A 01453 155.151 44.698 163.242 1.00737.35 P ATOM 30016 O1P A 01453 156.288 44.621 164.196 1.00737.35 O ATOM 30017 O2P A 01453 154.257 45.885 163.262 1.00737.35 O ATOM 30018 O5* A 01453 155.725 44.535 161.765 1.00737.35 O ATOM 30019 C5* A 01453 156.675 43.516 161.454 1.00737.35 C ATOM 30020 C4* A 01453 157.111 43.627 160.013 1.00737.35 C ATOM 30021 O4* A 01453 155.981 43.350 159.143 1.00737.35 O ATOM 30022 C3* A 01453 157.590 45.005 159.583 1.00737.35 C ATOM 30023 O3* A 01453 158.961 45.203 159.905 1.00737.35 O ATOM 30024 C2* A 01453 157.351 44.971 158.079 1.00737.35 C ATOM 30025 O2* A 01453 158.362 44.285 157.370 1.00737.35 O ATOM 30026 C1* A 01453 156.036 44.192 158.001 1.00737.35 C ATOM 30027 N9 A 01453 154.857 45.057 158.009 1.00737.35 N ATOM 30028 C8 A 01453 154.121 45.475 159.093 1.00737.35 C ATOM 30029 N7 A 01453 153.119 46.260 158.782 1.00737.35 N ATOM 30030 C5 A 01453 153.195 46.366 157.400 1.00737.35 C ATOM 30031 C6 A 01453 152.413 47.062 156.463 1.00737.35 C ATOM 30032 N6 A 01453 151.362 47.812 156.793 1.00737.35 N ATOM 30033 N1 A 01453 152.756 46.958 155.160 1.00737.35 N ATOM 30034 C2 A 01453 153.814 46.206 154.834 1.00737.35 C ATOM 30035 N3 A 01453 154.626 45.506 155.623 1.00737.35 N ATOM 30036 C4 A 01453 154.259 45.629 156.911 1.00737.35 C ATOM 30037 P U 01454 159.410 46.539 160.680 1.00737.35 P ATOM 30038 O1P U 01454 160.888 46.638 160.572 1.00737.35 O ATOM 30039 O2P U 01454 158.771 46.536 162.020 1.00737.35 O ATOM 30040 O5* U 01454 158.767 47.719 159.823 1.00737.35 O ATOM 30041 C5* U 01454 159.146 47.929 158.465 1.00737.35 C ATOM 30042 C4* U 01454 158.273 48.988 157.831 1.00737.35 C ATOM 30043 O4* U 01454 156.898 48.525 157.782 1.00737.35 O ATOM 30044 C3* U 01454 158.187 50.313 158.569 1.00737.35 C ATOM 30045 O3* U 01454 159.306 51.144 158.269 1.00737.35 O ATOM 30046 C2* U 01454 156.882 50.891 158.036 1.00737.35 C ATOM 30047 O2* U 01454 157.019 51.499 156.766 1.00737.35 O ATOM 30048 C1* U 01454 156.018 49.632 157.916 1.00737.35 C ATOM 30049 N1 U 01454 155.140 49.411 159.078 1.00737.35 N ATOM 30050 C2 U 01454 153.894 50.022 159.074 1.00737.35 C ATOM 30051 O2 U 01454 153.495 50.723 158.156 1.00737.35 O ATOM 30052 N3 U 01454 153.128 49.781 160.189 1.00737.35 N ATOM 30053 C4 U 01454 153.468 49.013 161.283 1.00737.35 C ATOM 30054 O4 U 01454 152.668 48.901 162.214 1.00737.35 O ATOM 30055 C5 U 01454 154.765 48.413 161.212 1.00737.35 C ATOM 30056 C6 U 01454 155.537 48.626 160.141 1.00737.35 C ATOM 30057 P C 01455 159.723 52.318 159.286 1.00737.35 P ATOM 30058 O1P C 01455 161.006 52.885 158.799 1.00737.35 O ATOM 30059 O2P C 01455 159.631 51.799 160.675 1.00737.35 O ATOM 30060 O5* C 01455 158.585 53.418 159.087 1.00737.35 O ATOM 30061 C5* C 01455 158.413 54.067 157.830 1.00737.35 C ATOM 30062 C4* C 01455 157.143 54.886 157.826 1.00737.35 C ATOM 30063 O4* C 01455 155.998 54.012 157.998 1.00737.35 O ATOM 30064 C3* C 01455 156.997 55.902 158.946 1.00737.35 C ATOM 30065 O3* C 01455 157.698 57.103 158.637 1.00737.35 O ATOM 30066 C2* C 01455 155.487 56.114 158.992 1.00737.35 C ATOM 30067 O2* C 01455 155.014 57.014 158.012 1.00737.35 O ATOM 30068 C1* C 01455 154.971 54.705 158.688 1.00737.35 C ATOM 30069 N1 C 01455 154.593 53.940 159.894 1.00737.35 N ATOM 30070 C2 C 01455 153.288 54.070 160.397 1.00737.35 C ATOM 30071 O2 C 01455 152.485 54.817 159.809 1.00737.35 O ATOM 30072 N3 C 01455 152.934 53.384 161.506 1.00737.35 N ATOM 30073 C4 C 01455 153.820 52.590 162.110 1.00737.35 C ATOM 30074 N4 C 01455 153.425 51.933 163.203 1.00737.35 N ATOM 30075 C5 C 01455 155.151 52.433 161.621 1.00737.35 C ATOM 30076 C6 C 01455 155.491 53.121 160.522 1.00737.35 C ATOM 30077 P C 01456 158.117 58.112 159.818 1.00737.35 P ATOM 30078 O1P C 01456 159.041 59.116 159.230 1.00737.35 O ATOM 30079 O2P C 01456 158.550 57.317 160.994 1.00737.35 O ATOM 30080 O5* C 01456 156.753 58.849 160.189 1.00737.35 O ATOM 30081 C5* C 01456 156.064 59.638 159.219 1.00737.35 C ATOM 30082 C4* C 01456 154.693 60.017 159.727 1.00737.35 C ATOM 30083 O4* C 01456 153.906 58.815 159.944 1.00737.35 O ATOM 30084 C3* C 01456 154.653 60.729 161.069 1.00737.35 C ATOM 30085 O3* C 01456 154.894 62.125 160.911 1.00737.35 O ATOM 30086 C2* C 01456 153.233 60.442 161.544 1.00737.35 C ATOM 30087 O2* C 01456 152.267 61.293 160.954 1.00737.35 O ATOM 30088 C1* C 01456 153.030 59.010 161.045 1.00737.35 C ATOM 30089 N1 C 01456 153.309 57.981 162.068 1.00737.35 N ATOM 30090 C2 C 01456 152.283 57.611 162.953 1.00737.35 C ATOM 30091 O2 C 01456 151.170 58.151 162.852 1.00737.35 O ATOM 30092 N3 C 01456 152.532 56.673 163.897 1.00737.35 N ATOM 30093 C4 C 01456 153.741 56.111 163.979 1.00737.35 C ATOM 30094 N4 C 01456 153.939 55.193 164.927 1.00737.35 N ATOM 30095 C5 C 01456 154.801 56.467 163.093 1.00737.35 C ATOM 30096 C6 C 01456 154.544 57.397 162.165 1.00737.35 C ATOM 30097 P A 01457 155.449 62.984 162.153 1.00737.35 P ATOM 30098 O1P A 01457 155.720 64.356 161.651 1.00737.35 O ATOM 30099 O2P A 01457 156.537 62.218 162.814 1.00737.35 O ATOM 30100 O5* A 01457 154.211 63.055 163.152 1.00737.35 O ATOM 30101 C5* A 01457 153.002 63.713 162.774 1.00737.35 C ATOM 30102 C4* A 01457 151.928 63.482 163.811 1.00737.35 C ATOM 30103 O4* A 01457 151.607 62.068 163.875 1.00737.35 O ATOM 30104 C3* A 01457 152.299 63.843 165.242 1.00737.35 C ATOM 30105 O3* A 01457 152.122 65.234 165.481 1.00737.35 O ATOM 30106 C2* A 01457 151.324 62.991 166.048 1.00737.35 C ATOM 30107 O2* A 01457 150.034 63.562 166.143 1.00737.35 O ATOM 30108 C1* A 01457 151.266 61.715 165.206 1.00737.35 C ATOM 30109 N9 A 01457 152.188 60.672 165.665 1.00737.35 N ATOM 30110 C8 A 01457 153.400 60.308 165.128 1.00737.35 C ATOM 30111 N7 A 01457 153.992 59.332 165.773 1.00737.35 N ATOM 30112 C5 A 01457 153.112 59.029 166.803 1.00737.35 C ATOM 30113 C6 A 01457 153.161 58.081 167.841 1.00737.35 C ATOM 30114 N6 A 01457 154.172 57.226 168.019 1.00737.35 N ATOM 30115 N1 A 01457 152.121 58.041 168.702 1.00737.35 N ATOM 30116 C2 A 01457 151.106 58.896 168.526 1.00737.35 C ATOM 30117 N3 A 01457 150.947 59.829 167.591 1.00737.35 N ATOM 30118 C4 A 01457 151.997 59.845 166.750 1.00737.35 C ATOM 30119 P A 01458 152.938 65.949 166.667 1.00737.35 P ATOM 30120 O1P A 01458 152.644 67.404 166.591 1.00737.35 O ATOM 30121 O2P A 01458 154.349 65.486 166.617 1.00737.35 O ATOM 30122 O5* A 01458 152.269 65.371 167.991 1.00737.35 O ATOM 30123 C5* A 01458 150.916 65.679 168.323 1.00737.35 C ATOM 30124 C4* A 01458 150.496 64.941 169.571 1.00737.35 C ATOM 30125 O4* A 01458 150.492 63.510 169.315 1.00737.35 O ATOM 30126 C3* A 01458 151.410 65.098 170.776 1.00737.35 C ATOM 30127 O3* A 01458 151.138 66.303 171.483 1.00737.35 O ATOM 30128 C2* A 01458 151.081 63.855 171.592 1.00737.35 C ATOM 30129 O2* A 01458 149.892 63.984 172.346 1.00737.35 O ATOM 30130 C1* A 01458 150.885 62.813 170.488 1.00737.35 C ATOM 30131 N9 A 01458 152.101 62.048 170.192 1.00737.35 N ATOM 30132 C8 A 01458 152.959 62.194 169.130 1.00737.35 C ATOM 30133 N7 A 01458 153.964 61.351 169.142 1.00737.35 N ATOM 30134 C5 A 01458 153.753 60.598 170.287 1.00737.35 C ATOM 30135 C6 A 01458 154.470 59.534 170.865 1.00737.35 C ATOM 30136 N6 A 01458 155.585 59.022 170.342 1.00737.35 N ATOM 30137 N1 A 01458 153.991 59.005 172.013 1.00737.35 N ATOM 30138 C2 A 01458 152.871 59.516 172.535 1.00737.35 C ATOM 30139 N3 A 01458 152.108 60.511 172.086 1.00737.35 N ATOM 30140 C4 A 01458 152.611 61.016 170.946 1.00737.35 C ATOM 30141 P U 01459 152.226 66.887 172.518 1.00737.35 P ATOM 30142 O1P U 01459 152.350 65.904 173.624 1.00737.35 O ATOM 30143 O2P U 01459 151.856 68.291 172.824 1.00737.35 O ATOM 30144 O5* U 01459 153.594 66.906 171.698 1.00737.35 O ATOM 30145 C5* U 01459 154.352 65.711 171.491 1.00737.35 C ATOM 30146 C4* U 01459 155.826 65.982 171.688 1.00737.35 C ATOM 30147 O4* U 01459 156.283 66.924 170.682 1.00737.35 O ATOM 30148 C3* U 01459 156.197 66.625 173.013 1.00737.35 C ATOM 30149 O3* U 01459 156.347 65.639 174.029 1.00737.35 O ATOM 30150 C2* U 01459 157.514 67.315 172.680 1.00737.35 C ATOM 30151 O2* U 01459 158.624 66.440 172.697 1.00737.35 O ATOM 30152 C1* U 01459 157.251 67.795 171.249 1.00737.35 C ATOM 30153 N1 U 01459 156.749 69.178 171.167 1.00737.35 N ATOM 30154 C2 U 01459 157.660 70.211 171.339 1.00737.35 C ATOM 30155 O2 U 01459 158.847 70.023 171.557 1.00737.35 O ATOM 30156 N3 U 01459 157.129 71.473 171.247 1.00737.35 N ATOM 30157 C4 U 01459 155.812 71.807 171.009 1.00737.35 C ATOM 30158 O4 U 01459 155.489 72.994 170.956 1.00737.35 O ATOM 30159 C5 U 01459 154.934 70.691 170.843 1.00737.35 C ATOM 30160 C6 U 01459 155.419 69.447 170.927 1.00737.35 C ATOM 30161 P G 01460 155.741 65.900 175.492 1.00737.35 P ATOM 30162 O1P G 01460 154.379 66.465 175.322 1.00737.35 O ATOM 30163 O2P G 01460 156.750 66.647 176.287 1.00737.35 O ATOM 30164 O5* G 01460 155.595 64.441 176.116 1.00737.35 O ATOM 30165 C5* G 01460 154.858 64.229 177.320 1.00737.35 C ATOM 30166 C4* G 01460 155.057 62.816 177.811 1.00737.35 C ATOM 30167 O4* G 01460 154.546 61.886 176.816 1.00737.35 O ATOM 30168 C3* G 01460 156.505 62.396 178.013 1.00737.35 C ATOM 30169 O3* G 01460 156.977 62.789 179.298 1.00737.35 O ATOM 30170 C2* G 01460 156.425 60.883 177.867 1.00737.35 C ATOM 30171 O2* G 01460 155.969 60.232 179.037 1.00737.35 O ATOM 30172 C1* G 01460 155.384 60.742 176.752 1.00737.35 C ATOM 30173 N9 G 01460 155.968 60.669 175.415 1.00737.35 N ATOM 30174 C8 G 01460 155.825 61.581 174.394 1.00737.35 C ATOM 30175 N7 G 01460 156.469 61.244 173.310 1.00737.35 N ATOM 30176 C5 G 01460 157.075 60.037 173.630 1.00737.35 C ATOM 30177 C6 G 01460 157.906 59.191 172.851 1.00737.35 C ATOM 30178 O6 G 01460 158.284 59.345 171.683 1.00737.35 O ATOM 30179 N1 G 01460 158.304 58.067 173.569 1.00737.35 N ATOM 30180 C2 G 01460 157.948 57.788 174.864 1.00737.35 C ATOM 30181 N2 G 01460 158.436 56.649 175.378 1.00737.35 N ATOM 30182 N3 G 01460 157.174 58.566 175.600 1.00737.35 N ATOM 30183 C4 G 01460 156.776 59.667 174.926 1.00737.35 C ATOM 30184 P C 01461 158.527 63.176 179.493 1.00737.35 P ATOM 30185 O1P C 01461 158.731 63.462 180.935 1.00737.35 O ATOM 30186 O2P C 01461 158.881 64.205 178.484 1.00737.35 O ATOM 30187 O5* C 01461 159.304 61.833 179.132 1.00737.35 O ATOM 30188 C5* C 01461 159.145 60.660 179.927 1.00737.35 C ATOM 30189 C4* C 01461 160.045 59.556 179.421 1.00737.35 C ATOM 30190 O4* C 01461 159.623 59.152 178.092 1.00737.35 O ATOM 30191 C3* C 01461 161.511 59.924 179.251 1.00737.35 C ATOM 30192 O3* C 01461 162.209 59.820 180.487 1.00737.35 O ATOM 30193 C2* C 01461 161.986 58.896 178.231 1.00737.35 C ATOM 30194 O2* C 01461 162.285 57.639 178.808 1.00737.35 O ATOM 30195 C1* C 01461 160.757 58.772 177.326 1.00737.35 C ATOM 30196 N1 C 01461 160.821 59.619 176.114 1.00737.35 N ATOM 30197 C2 C 01461 161.471 59.118 174.972 1.00737.35 C ATOM 30198 O2 C 01461 161.974 57.981 175.008 1.00737.35 O ATOM 30199 N3 C 01461 161.531 59.885 173.860 1.00737.35 N ATOM 30200 C4 C 01461 160.982 61.101 173.856 1.00737.35 C ATOM 30201 N4 C 01461 161.070 61.822 172.734 1.00737.35 N ATOM 30202 C5 C 01461 160.322 61.635 175.001 1.00737.35 C ATOM 30203 C6 C 01461 160.265 60.869 176.097 1.00737.35 C ATOM 30204 P C 01462 163.502 60.736 180.750 1.00737.35 P ATOM 30205 O1P C 01462 163.898 60.542 182.171 1.00737.35 O ATOM 30206 O2P C 01462 163.225 62.108 180.250 1.00737.35 O ATOM 30207 O5* C 01462 164.625 60.088 179.827 1.00737.35 O ATOM 30208 C5* C 01462 165.162 58.800 180.124 1.00737.35 C ATOM 30209 C4* C 01462 166.202 58.412 179.098 1.00737.35 C ATOM 30210 O4* C 01462 165.570 58.255 177.801 1.00737.35 O ATOM 30211 C3* C 01462 167.307 59.426 178.854 1.00737.35 C ATOM 30212 O3* C 01462 168.335 59.305 179.832 1.00737.35 O ATOM 30213 C2* C 01462 167.793 59.041 177.462 1.00737.35 C ATOM 30214 O2* C 01462 168.684 57.944 177.467 1.00737.35 O ATOM 30215 C1* C 01462 166.481 58.636 176.781 1.00737.35 C ATOM 30216 N1 C 01462 165.872 59.718 175.976 1.00737.35 N ATOM 30217 C2 C 01462 166.270 59.871 174.636 1.00737.35 C ATOM 30218 O2 C 01462 167.118 59.094 174.163 1.00737.35 O ATOM 30219 N3 C 01462 165.722 60.860 173.893 1.00737.35 N ATOM 30220 C4 C 01462 164.813 61.674 174.433 1.00737.35 C ATOM 30221 N4 C 01462 164.301 62.637 173.660 1.00737.35 N ATOM 30222 C5 C 01462 164.389 61.542 175.788 1.00737.35 C ATOM 30223 C6 C 01462 164.940 60.560 176.516 1.00737.35 C ATOM 30224 P A 01463 169.316 60.548 180.119 1.00737.35 P ATOM 30225 O1P A 01463 170.164 60.208 181.291 1.00737.35 O ATOM 30226 O2P A 01463 168.490 61.784 180.145 1.00737.35 O ATOM 30227 O5* A 01463 170.246 60.607 178.826 1.00737.35 O ATOM 30228 C5* A 01463 171.172 59.559 178.544 1.00737.35 C ATOM 30229 C4* A 01463 171.870 59.815 177.229 1.00737.35 C ATOM 30230 O4* A 01463 170.897 59.789 176.151 1.00737.35 O ATOM 30231 C3* A 01463 172.547 61.168 177.092 1.00737.35 C ATOM 30232 O3* A 01463 173.845 61.153 177.677 1.00737.35 O ATOM 30233 C2* A 01463 172.596 61.355 175.579 1.00737.35 C ATOM 30234 O2* A 01463 173.668 60.665 174.965 1.00737.35 O ATOM 30235 C1* A 01463 171.266 60.726 175.153 1.00737.35 C ATOM 30236 N9 A 01463 170.182 61.700 175.009 1.00737.35 N ATOM 30237 C8 A 01463 169.324 62.166 175.978 1.00737.35 C ATOM 30238 N7 A 01463 168.455 63.043 175.537 1.00737.35 N ATOM 30239 C5 A 01463 168.759 63.164 174.189 1.00737.35 C ATOM 30240 C6 A 01463 168.201 63.941 173.160 1.00737.35 C ATOM 30241 N6 A 01463 167.176 64.777 173.339 1.00737.35 N ATOM 30242 N1 A 01463 168.736 63.829 171.924 1.00737.35 N ATOM 30243 C2 A 01463 169.766 62.990 171.748 1.00737.35 C ATOM 30244 N3 A 01463 170.377 62.208 172.633 1.00737.35 N ATOM 30245 C4 A 01463 169.822 62.344 173.850 1.00737.35 C ATOM 30246 P A 01464 174.541 62.534 178.120 1.00737.35 P ATOM 30247 O1P A 01464 175.716 62.207 178.969 1.00737.35 O ATOM 30248 O2P A 01464 173.483 63.430 178.649 1.00737.35 O ATOM 30249 O5* A 01464 175.068 63.149 176.748 1.00737.35 O ATOM 30250 C5* A 01464 176.192 62.586 176.077 1.00737.35 C ATOM 30251 C4* A 01464 176.468 63.337 174.795 1.00737.35 C ATOM 30252 O4* A 01464 175.374 63.129 173.863 1.00737.35 O ATOM 30253 C3* A 01464 176.564 64.849 174.922 1.00737.35 C ATOM 30254 O3* A 01464 177.858 65.265 175.348 1.00737.35 O ATOM 30255 C2* A 01464 176.255 65.312 173.504 1.00737.35 C ATOM 30256 O2* A 01464 177.369 65.239 172.638 1.00737.35 O ATOM 30257 C1* A 01464 175.191 64.298 173.077 1.00737.35 C ATOM 30258 N9 A 01464 173.824 64.783 173.269 1.00737.35 N ATOM 30259 C8 A 01464 173.044 64.705 174.400 1.00737.35 C ATOM 30260 N7 A 01464 171.858 65.242 174.260 1.00737.35 N ATOM 30261 C5 A 01464 171.850 65.701 172.950 1.00737.35 C ATOM 30262 C6 A 01464 170.874 66.368 172.186 1.00737.35 C ATOM 30263 N6 A 01464 169.670 66.705 172.654 1.00737.35 N ATOM 30264 N1 A 01464 171.185 66.684 170.911 1.00737.35 N ATOM 30265 C2 A 01464 172.391 66.349 170.444 1.00737.35 C ATOM 30266 N3 A 01464 173.393 65.722 171.060 1.00737.35 N ATOM 30267 C4 A 01464 173.054 65.422 172.327 1.00737.35 C ATOM 30268 P G 01465 178.009 66.566 176.283 1.00737.35 P ATOM 30269 O1P G 01465 179.177 67.347 175.799 1.00737.35 O ATOM 30270 O2P G 01465 177.969 66.107 177.695 1.00737.35 O ATOM 30271 O5* G 01465 176.678 67.394 175.995 1.00737.35 O ATOM 30272 C5* G 01465 176.690 68.815 175.887 1.00737.35 C ATOM 30273 C4* G 01465 176.387 69.229 174.468 1.00737.35 C ATOM 30274 O4* G 01465 175.230 68.499 173.986 1.00737.35 O ATOM 30275 C3* G 01465 176.034 70.693 174.260 1.00737.35 C ATOM 30276 O3* G 01465 177.213 71.484 174.136 1.00737.35 O ATOM 30277 C2* G 01465 175.227 70.651 172.964 1.00737.35 C ATOM 30278 O2* G 01465 176.039 70.617 171.808 1.00737.35 O ATOM 30279 C1* G 01465 174.479 69.322 173.107 1.00737.35 C ATOM 30280 N9 G 01465 173.123 69.445 173.637 1.00737.35 N ATOM 30281 C8 G 01465 172.718 69.255 174.938 1.00737.35 C ATOM 30282 N7 G 01465 171.434 69.419 175.104 1.00737.35 N ATOM 30283 C5 G 01465 170.961 69.743 173.840 1.00737.35 C ATOM 30284 C6 G 01465 169.641 70.031 173.398 1.00737.35 C ATOM 30285 O6 G 01465 168.593 70.050 174.056 1.00737.35 O ATOM 30286 N1 G 01465 169.610 70.313 172.036 1.00737.35 N ATOM 30287 C2 G 01465 170.702 70.314 171.202 1.00737.35 C ATOM 30288 N2 G 01465 170.462 70.614 169.915 1.00737.35 N ATOM 30289 N3 G 01465 171.934 70.042 171.601 1.00737.35 N ATOM 30290 C4 G 01465 171.991 69.768 172.923 1.00737.35 C ATOM 30291 P C 01466 177.108 73.088 174.176 1.00737.35 P ATOM 30292 O1P C 01466 178.480 73.645 174.077 1.00737.35 O ATOM 30293 O2P C 01466 176.249 73.459 175.332 1.00737.35 O ATOM 30294 O5* C 01466 176.326 73.443 172.834 1.00737.35 O ATOM 30295 C5* C 01466 175.729 74.721 172.639 1.00737.35 C ATOM 30296 C4* C 01466 174.788 74.677 171.457 1.00737.35 C ATOM 30297 O4* C 01466 173.788 73.651 171.683 1.00737.35 O ATOM 30298 C3* C 01466 173.990 75.945 171.201 1.00737.35 C ATOM 30299 O3* C 01466 174.751 76.843 170.400 1.00737.35 O ATOM 30300 C2* C 01466 172.773 75.418 170.450 1.00737.35 C ATOM 30301 O2* C 01466 173.016 75.223 169.071 1.00737.35 O ATOM 30302 C1* C 01466 172.551 74.061 171.125 1.00737.35 C ATOM 30303 N1 C 01466 171.524 74.062 172.187 1.00737.35 N ATOM 30304 C2 C 01466 170.167 74.027 171.819 1.00737.35 C ATOM 30305 O2 C 01466 169.862 74.024 170.612 1.00737.35 O ATOM 30306 N3 C 01466 169.225 74.001 172.788 1.00737.35 N ATOM 30307 C4 C 01466 169.583 74.014 174.073 1.00737.35 C ATOM 30308 N4 C 01466 168.611 73.975 174.990 1.00737.35 N ATOM 30309 C5 C 01466 170.949 74.061 174.474 1.00737.35 C ATOM 30310 C6 C 01466 171.878 74.083 173.509 1.00737.35 C ATOM 30311 P U 01467 174.683 78.429 170.678 1.00737.35 P ATOM 30312 O1P U 01467 175.602 79.103 169.724 1.00737.35 O ATOM 30313 O2P U 01467 174.857 78.642 172.138 1.00737.35 O ATOM 30314 O5* U 01467 173.191 78.837 170.300 1.00737.35 O ATOM 30315 C5* U 01467 172.579 78.370 169.099 1.00737.35 C ATOM 30316 C4* U 01467 171.077 78.469 169.211 1.00737.35 C ATOM 30317 O4* U 01467 170.647 77.735 170.386 1.00737.35 O ATOM 30318 C3* U 01467 170.531 79.876 169.421 1.00737.35 C ATOM 30319 O3* U 01467 170.337 80.527 168.167 1.00737.35 O ATOM 30320 C2* U 01467 169.209 79.610 170.130 1.00737.35 C ATOM 30321 O2* U 01467 168.164 79.261 169.244 1.00737.35 O ATOM 30322 C1* U 01467 169.565 78.408 171.009 1.00737.35 C ATOM 30323 N1 U 01467 169.958 78.772 172.381 1.00737.35 N ATOM 30324 C2 U 01467 168.954 78.883 173.334 1.00737.35 C ATOM 30325 O2 U 01467 167.774 78.691 173.085 1.00737.35 O ATOM 30326 N3 U 01467 169.383 79.229 174.592 1.00737.35 N ATOM 30327 C4 U 01467 170.681 79.470 174.991 1.00737.35 C ATOM 30328 O4 U 01467 170.907 79.774 176.163 1.00737.35 O ATOM 30329 C5 U 01467 171.659 79.338 173.956 1.00737.35 C ATOM 30330 C6 U 01467 171.276 79.003 172.720 1.00737.35 C ATOM 30331 P A 01468 170.033 82.105 168.121 1.00737.35 P ATOM 30332 O1P A 01468 168.894 82.384 169.035 1.00737.35 O ATOM 30333 O2P A 01468 169.936 82.491 166.693 1.00737.35 O ATOM 30334 O5* A 01468 171.350 82.780 168.715 1.00737.35 O ATOM 30335 C5* A 01468 171.410 83.212 170.074 1.00737.35 C ATOM 30336 C4* A 01468 171.956 84.620 170.147 1.00737.35 C ATOM 30337 O4* A 01468 173.303 84.636 169.602 1.00737.35 O ATOM 30338 C3* A 01468 171.208 85.656 169.323 1.00737.35 C ATOM 30339 O3* A 01468 170.094 86.180 170.040 1.00737.35 O ATOM 30340 C2* A 01468 172.276 86.720 169.097 1.00737.35 C ATOM 30341 O2* A 01468 172.437 87.590 170.200 1.00737.35 O ATOM 30342 C1* A 01468 173.531 85.862 168.928 1.00737.35 C ATOM 30343 N9 A 01468 173.854 85.572 167.530 1.00737.35 N ATOM 30344 C8 A 01468 173.445 84.509 166.761 1.00737.35 C ATOM 30345 N7 A 01468 173.902 84.534 165.533 1.00737.35 N ATOM 30346 C5 A 01468 174.664 85.694 165.486 1.00737.35 C ATOM 30347 C6 A 01468 175.415 86.292 164.457 1.00737.35 C ATOM 30348 N6 A 01468 175.526 85.784 163.228 1.00737.35 N ATOM 30349 N1 A 01468 176.055 87.449 164.741 1.00737.35 N ATOM 30350 C2 A 01468 175.944 87.959 165.970 1.00737.35 C ATOM 30351 N3 A 01468 175.269 87.493 167.021 1.00737.35 N ATOM 30352 C4 A 01468 174.644 86.344 166.708 1.00737.35 C ATOM 30353 P U 01469 168.669 86.335 169.308 1.00737.35 P ATOM 30354 O1P U 01469 167.883 87.316 170.096 1.00737.35 O ATOM 30355 O2P U 01469 168.118 84.975 169.076 1.00737.35 O ATOM 30356 O5* U 01469 169.016 87.002 167.902 1.00737.35 O ATOM 30357 C5* U 01469 169.167 86.208 166.726 1.00737.35 C ATOM 30358 C4* U 01469 170.321 86.717 165.895 1.00737.35 C ATOM 30359 O4* U 01469 170.549 85.814 164.783 1.00737.35 O ATOM 30360 C3* U 01469 170.122 88.076 165.244 1.00737.35 C ATOM 30361 O3* U 01469 170.447 89.122 166.157 1.00737.35 O ATOM 30362 C2* U 01469 171.102 88.019 164.076 1.00737.35 C ATOM 30363 O2* U 01469 172.434 88.308 164.454 1.00737.35 O ATOM 30364 C1* U 01469 170.993 86.550 163.654 1.00737.35 C ATOM 30365 N1 U 01469 170.063 86.317 162.537 1.00737.35 N ATOM 30366 C2 U 01469 170.560 86.424 161.245 1.00737.35 C ATOM 30367 O2 U 01469 171.724 86.700 160.997 1.00737.35 O ATOM 30368 N3 U 01469 169.640 86.198 160.251 1.00737.35 N ATOM 30369 C4 U 01469 168.307 85.880 160.406 1.00737.35 C ATOM 30370 O4 U 01469 167.606 85.706 159.408 1.00737.35 O ATOM 30371 C5 U 01469 167.870 85.790 161.765 1.00737.35 C ATOM 30372 C6 U 01469 168.738 86.004 162.758 1.00737.35 C ATOM 30373 P G 01470 169.930 90.620 165.879 1.00737.35 P ATOM 30374 O1P G 01470 170.264 90.963 164.473 1.00737.35 O ATOM 30375 O2P G 01470 170.428 91.484 166.982 1.00737.35 O ATOM 30376 O5* G 01470 168.343 90.527 166.000 1.00737.35 O ATOM 30377 C5* G 01470 167.543 91.708 165.966 1.00737.35 C ATOM 30378 C4* G 01470 166.077 91.365 166.119 1.00737.35 C ATOM 30379 O4* G 01470 165.642 90.567 164.989 1.00737.35 O ATOM 30380 C3* G 01470 165.700 90.530 167.332 1.00737.35 C ATOM 30381 O3* G 01470 165.543 91.346 168.488 1.00737.35 O ATOM 30382 C2* G 01470 164.375 89.912 166.897 1.00737.35 C ATOM 30383 O2* G 01470 163.274 90.787 167.058 1.00737.35 O ATOM 30384 C1* G 01470 164.626 89.669 165.406 1.00737.35 C ATOM 30385 N9 G 01470 165.054 88.305 165.104 1.00737.35 N ATOM 30386 C8 G 01470 166.342 87.820 165.087 1.00737.35 C ATOM 30387 N7 G 01470 166.408 86.551 164.785 1.00737.35 N ATOM 30388 C5 G 01470 165.086 86.173 164.590 1.00737.35 C ATOM 30389 C6 G 01470 164.532 84.915 164.243 1.00737.35 C ATOM 30390 O6 G 01470 165.117 83.846 164.029 1.00737.35 O ATOM 30391 N1 G 01470 163.146 84.976 164.150 1.00737.35 N ATOM 30392 C2 G 01470 162.388 86.102 164.364 1.00737.35 C ATOM 30393 N2 G 01470 161.061 85.956 164.227 1.00737.35 N ATOM 30394 N3 G 01470 162.890 87.279 164.688 1.00737.35 N ATOM 30395 C4 G 01470 164.237 87.244 164.782 1.00737.35 C ATOM 30396 P G 01471 165.791 90.720 169.949 1.00737.35 P ATOM 30397 O1P G 01471 165.585 91.810 170.937 1.00737.35 O ATOM 30398 O2P G 01471 167.081 89.982 169.932 1.00737.35 O ATOM 30399 O5* G 01471 164.613 89.661 170.121 1.00737.35 O ATOM 30400 C5* G 01471 163.258 90.085 170.266 1.00737.35 C ATOM 30401 C4* G 01471 162.332 88.892 170.301 1.00737.35 C ATOM 30402 O4* G 01471 162.393 88.197 169.028 1.00737.35 O ATOM 30403 C3* G 01471 162.663 87.824 171.335 1.00737.35 C ATOM 30404 O3* G 01471 162.104 88.160 172.603 1.00737.35 O ATOM 30405 C2* G 01471 162.017 86.581 170.733 1.00737.35 C ATOM 30406 O2* G 01471 160.626 86.506 170.978 1.00737.35 O ATOM 30407 C1* G 01471 162.269 86.800 169.239 1.00737.35 C ATOM 30408 N9 G 01471 163.480 86.149 168.746 1.00737.35 N ATOM 30409 C8 G 01471 164.718 86.722 168.566 1.00737.35 C ATOM 30410 N7 G 01471 165.610 85.887 168.109 1.00737.35 N ATOM 30411 C5 G 01471 164.924 84.687 167.978 1.00737.35 C ATOM 30412 C6 G 01471 165.368 83.419 167.525 1.00737.35 C ATOM 30413 O6 G 01471 166.496 83.091 167.138 1.00737.35 O ATOM 30414 N1 G 01471 164.345 82.477 167.554 1.00737.35 N ATOM 30415 C2 G 01471 163.057 82.724 167.961 1.00737.35 C ATOM 30416 N2 G 01471 162.213 81.682 167.916 1.00737.35 N ATOM 30417 N3 G 01471 162.626 83.901 168.385 1.00737.35 N ATOM 30418 C4 G 01471 163.606 84.831 168.367 1.00737.35 C ATOM 30419 P C 01472 162.770 87.580 173.950 1.00737.35 P ATOM 30420 O1P C 01472 162.250 88.370 175.096 1.00737.35 O ATOM 30421 O2P C 01472 164.238 87.486 173.735 1.00737.35 O ATOM 30422 O5* C 01472 162.193 86.100 174.062 1.00737.35 O ATOM 30423 C5* C 01472 160.787 85.866 174.147 1.00737.35 C ATOM 30424 C4* C 01472 160.492 84.387 174.029 1.00737.35 C ATOM 30425 O4* C 01472 160.999 83.905 172.756 1.00737.35 O ATOM 30426 C3* C 01472 161.154 83.489 175.063 1.00737.35 C ATOM 30427 O3* C 01472 160.363 83.417 176.249 1.00737.35 O ATOM 30428 C2* C 01472 161.192 82.147 174.343 1.00737.35 C ATOM 30429 O2* C 01472 159.962 81.449 174.400 1.00737.35 O ATOM 30430 C1* C 01472 161.476 82.576 172.902 1.00737.35 C ATOM 30431 N1 C 01472 162.910 82.541 172.546 1.00737.35 N ATOM 30432 C2 C 01472 163.469 81.332 172.104 1.00737.35 C ATOM 30433 O2 C 01472 162.748 80.323 172.017 1.00737.35 O ATOM 30434 N3 C 01472 164.781 81.290 171.775 1.00737.35 N ATOM 30435 C4 C 01472 165.529 82.391 171.881 1.00737.35 C ATOM 30436 N4 C 01472 166.820 82.304 171.549 1.00737.35 N ATOM 30437 C5 C 01472 164.989 83.632 172.328 1.00737.35 C ATOM 30438 C6 C 01472 163.690 83.663 172.647 1.00737.35 C ATOM 30439 P U 01473 161.063 83.539 177.696 1.00737.35 P ATOM 30440 O1P U 01473 160.015 83.344 178.731 1.00737.35 O ATOM 30441 O2P U 01473 161.872 84.785 177.698 1.00737.35 O ATOM 30442 O5* U 01473 162.069 82.303 177.772 1.00737.35 O ATOM 30443 C5* U 01473 161.725 81.034 177.222 1.00737.35 C ATOM 30444 C4* U 01473 162.969 80.206 176.995 1.00737.35 C ATOM 30445 O4* U 01473 163.947 81.011 176.285 1.00737.35 O ATOM 30446 C3* U 01473 163.694 79.742 178.248 1.00737.35 C ATOM 30447 O3* U 01473 163.126 78.518 178.710 1.00737.35 O ATOM 30448 C2* U 01473 165.123 79.547 177.746 1.00737.35 C ATOM 30449 O2* U 01473 165.319 78.312 177.086 1.00737.35 O ATOM 30450 C1* U 01473 165.253 80.695 176.743 1.00737.35 C ATOM 30451 N1 U 01473 165.863 81.910 177.304 1.00737.35 N ATOM 30452 C2 U 01473 167.243 82.042 177.221 1.00737.35 C ATOM 30453 O2 U 01473 167.964 81.200 176.702 1.00737.35 O ATOM 30454 N3 U 01473 167.749 83.195 177.764 1.00737.35 N ATOM 30455 C4 U 01473 167.039 84.212 178.372 1.00737.35 C ATOM 30456 O4 U 01473 167.642 85.193 178.809 1.00737.35 O ATOM 30457 C5 U 01473 165.625 84.004 178.423 1.00737.35 C ATOM 30458 C6 U 01473 165.099 82.892 177.901 1.00737.35 C ATOM 30459 P A 01474 163.471 77.973 180.180 1.00737.35 P ATOM 30460 O1P A 01474 163.061 79.004 181.172 1.00737.35 O ATOM 30461 O2P A 01474 164.877 77.497 180.161 1.00737.35 O ATOM 30462 O5* A 01474 162.523 76.701 180.344 1.00737.35 O ATOM 30463 C5* A 01474 161.185 76.840 180.818 1.00737.35 C ATOM 30464 C4* A 01474 160.198 76.503 179.723 1.00737.35 C ATOM 30465 O4* A 01474 160.396 77.416 178.611 1.00737.35 O ATOM 30466 C3* A 01474 160.328 75.122 179.095 1.00737.35 C ATOM 30467 O3* A 01474 159.658 74.127 179.868 1.00737.35 O ATOM 30468 C2* A 01474 159.667 75.329 177.738 1.00737.35 C ATOM 30469 O2* A 01474 158.254 75.284 177.798 1.00737.35 O ATOM 30470 C1* A 01474 160.118 76.749 177.392 1.00737.35 C ATOM 30471 N9 A 01474 161.299 76.840 176.527 1.00737.35 N ATOM 30472 C8 A 01474 161.479 77.734 175.499 1.00737.35 C ATOM 30473 N7 A 01474 162.627 77.606 174.881 1.00737.35 N ATOM 30474 C5 A 01474 163.248 76.555 175.541 1.00737.35 C ATOM 30475 C6 A 01474 164.498 75.934 175.364 1.00737.35 C ATOM 30476 N6 A 01474 165.379 76.298 174.429 1.00737.35 N ATOM 30477 N1 A 01474 164.813 74.913 176.189 1.00737.35 N ATOM 30478 C2 A 01474 163.931 74.552 177.126 1.00737.35 C ATOM 30479 N3 A 01474 162.730 75.059 177.395 1.00737.35 N ATOM 30480 C4 A 01474 162.443 76.070 176.556 1.00737.35 C ATOM 30481 P U 01475 160.300 72.655 180.012 1.00737.35 P ATOM 30482 O1P U 01475 159.947 72.140 181.358 1.00737.35 O ATOM 30483 O2P U 01475 161.729 72.728 179.608 1.00737.35 O ATOM 30484 O5* U 01475 159.534 71.763 178.930 1.00737.35 O ATOM 30485 C5* U 01475 158.917 72.352 177.789 1.00737.35 C ATOM 30486 C4* U 01475 158.364 71.285 176.874 1.00737.35 C ATOM 30487 O4* U 01475 157.516 70.389 177.638 1.00737.35 O ATOM 30488 C3* U 01475 157.462 71.810 175.770 1.00737.35 C ATOM 30489 O3* U 01475 158.207 72.247 174.634 1.00737.35 O ATOM 30490 C2* U 01475 156.588 70.600 175.459 1.00737.35 C ATOM 30491 O2* U 01475 157.223 69.661 174.613 1.00737.35 O ATOM 30492 C1* U 01475 156.399 70.000 176.854 1.00737.35 C ATOM 30493 N1 U 01475 155.167 70.444 177.531 1.00737.35 N ATOM 30494 C2 U 01475 153.989 69.767 177.247 1.00737.35 C ATOM 30495 O2 U 01475 153.931 68.828 176.470 1.00737.35 O ATOM 30496 N3 U 01475 152.879 70.231 177.909 1.00737.35 N ATOM 30497 C4 U 01475 152.822 71.279 178.805 1.00737.35 C ATOM 30498 O4 U 01475 151.742 71.582 179.315 1.00737.35 O ATOM 30499 C5 U 01475 154.074 71.928 179.047 1.00737.35 C ATOM 30500 C6 U 01475 155.174 71.501 178.418 1.00737.35 C ATOM 30501 P G 01476 157.894 73.686 173.987 1.00737.35 P ATOM 30502 O1P G 01476 158.487 74.724 174.867 1.00737.35 O ATOM 30503 O2P G 01476 156.437 73.727 173.684 1.00737.35 O ATOM 30504 O5* G 01476 158.687 73.699 172.603 1.00737.35 O ATOM 30505 C5* G 01476 158.376 74.666 171.602 1.00737.35 C ATOM 30506 C4* G 01476 159.571 74.920 170.709 1.00737.35 C ATOM 30507 O4* G 01476 160.670 75.445 171.496 1.00737.35 O ATOM 30508 C3* G 01476 160.164 73.717 169.994 1.00737.35 C ATOM 30509 O3* G 01476 159.432 73.438 168.802 1.00737.35 O ATOM 30510 C2* G 01476 161.581 74.192 169.683 1.00737.35 C ATOM 30511 O2* G 01476 161.656 74.986 168.514 1.00737.35 O ATOM 30512 C1* G 01476 161.901 75.054 170.908 1.00737.35 C ATOM 30513 N9 G 01476 162.714 74.378 171.917 1.00737.35 N ATOM 30514 C8 G 01476 162.313 73.940 173.158 1.00737.35 C ATOM 30515 N7 G 01476 163.276 73.380 173.841 1.00737.35 N ATOM 30516 C5 G 01476 164.379 73.449 172.999 1.00737.35 C ATOM 30517 C6 G 01476 165.712 73.003 173.196 1.00737.35 C ATOM 30518 O6 G 01476 166.202 72.450 174.189 1.00737.35 O ATOM 30519 N1 G 01476 166.506 73.266 172.084 1.00737.35 N ATOM 30520 C2 G 01476 166.078 73.883 170.934 1.00737.35 C ATOM 30521 N2 G 01476 167.001 74.046 169.971 1.00737.35 N ATOM 30522 N3 G 01476 164.842 74.307 170.740 1.00737.35 N ATOM 30523 C4 G 01476 164.048 74.059 171.807 1.00737.35 C ATOM 30524 P C 01477 159.642 72.037 168.041 1.00737.35 P ATOM 30525 O1P C 01477 158.757 72.024 166.849 1.00737.35 O ATOM 30526 O2P C 01477 159.532 70.950 169.048 1.00737.35 O ATOM 30527 O5* C 01477 161.152 72.095 167.534 1.00737.35 O ATOM 30528 C5* C 01477 161.790 70.941 166.996 1.00737.35 C ATOM 30529 C4* C 01477 163.218 71.259 166.620 1.00737.35 C ATOM 30530 O4* C 01477 163.896 71.848 167.760 1.00737.35 O ATOM 30531 C3* C 01477 164.068 70.056 166.249 1.00737.35 C ATOM 30532 O3* C 01477 163.905 69.713 164.877 1.00737.35 O ATOM 30533 C2* C 01477 165.481 70.545 166.554 1.00737.35 C ATOM 30534 O2* C 01477 166.034 71.333 165.517 1.00737.35 O ATOM 30535 C1* C 01477 165.245 71.410 167.795 1.00737.35 C ATOM 30536 N1 C 01477 165.486 70.709 169.074 1.00737.35 N ATOM 30537 C2 C 01477 166.809 70.551 169.524 1.00737.35 C ATOM 30538 O2 C 01477 167.745 70.995 168.832 1.00737.35 O ATOM 30539 N3 C 01477 167.035 69.921 170.700 1.00737.35 N ATOM 30540 C4 C 01477 166.012 69.456 171.417 1.00737.35 C ATOM 30541 N4 C 01477 166.287 68.849 172.576 1.00737.35 N ATOM 30542 C5 C 01477 164.660 69.596 170.984 1.00737.35 C ATOM 30543 C6 C 01477 164.445 70.219 169.817 1.00737.35 C ATOM 30544 P U 01478 163.912 68.167 164.436 1.00737.35 P ATOM 30545 O1P U 01478 163.720 68.098 162.963 1.00737.35 O ATOM 30546 O2P U 01478 162.970 67.447 165.330 1.00737.35 O ATOM 30547 O5* U 01478 165.385 67.673 164.785 1.00737.35 O ATOM 30548 C5* U 01478 166.486 67.967 163.927 1.00737.35 C ATOM 30549 C4* U 01478 167.663 67.081 164.271 1.00737.35 C ATOM 30550 O4* U 01478 168.153 67.421 165.594 1.00737.35 O ATOM 30551 C3* U 01478 167.349 65.596 164.352 1.00737.35 C ATOM 30552 O3* U 01478 167.387 64.991 163.065 1.00737.35 O ATOM 30553 C2* U 01478 168.449 65.080 165.273 1.00737.35 C ATOM 30554 O2* U 01478 169.677 64.854 164.608 1.00737.35 O ATOM 30555 C1* U 01478 168.593 66.245 166.257 1.00737.35 C ATOM 30556 N1 U 01478 167.811 66.077 167.496 1.00737.35 N ATOM 30557 C2 U 01478 168.395 65.375 168.543 1.00737.35 C ATOM 30558 O2 U 01478 169.517 64.897 168.484 1.00737.35 O ATOM 30559 N3 U 01478 167.613 65.254 169.666 1.00737.35 N ATOM 30560 C4 U 01478 166.336 65.753 169.848 1.00737.35 C ATOM 30561 O4 U 01478 165.759 65.562 170.918 1.00737.35 O ATOM 30562 C5 U 01478 165.806 66.462 168.726 1.00737.35 C ATOM 30563 C6 U 01478 166.539 66.598 167.616 1.00737.35 C ATOM 30564 P G 01479 166.346 63.819 162.704 1.00737.35 P ATOM 30565 O1P G 01479 166.458 63.561 161.246 1.00737.35 O ATOM 30566 O2P G 01479 165.026 64.166 163.286 1.00737.35 O ATOM 30567 O5* G 01479 166.914 62.551 163.483 1.00737.35 O ATOM 30568 C5* G 01479 168.106 61.899 163.049 1.00737.35 C ATOM 30569 C4* G 01479 168.562 60.890 164.080 1.00737.35 C ATOM 30570 O4* G 01479 168.902 61.580 165.311 1.00737.35 O ATOM 30571 C3* G 01479 167.529 59.858 164.507 1.00737.35 C ATOM 30572 O3* G 01479 167.482 58.770 163.589 1.00737.35 O ATOM 30573 C2* G 01479 168.051 59.433 165.873 1.00737.35 C ATOM 30574 O2* G 01479 169.104 58.491 165.796 1.00737.35 O ATOM 30575 C1* G 01479 168.584 60.758 166.423 1.00737.35 C ATOM 30576 N9 G 01479 167.622 61.464 167.268 1.00737.35 N ATOM 30577 C8 G 01479 166.755 62.464 166.890 1.00737.35 C ATOM 30578 N7 G 01479 166.012 62.894 167.875 1.00737.35 N ATOM 30579 C5 G 01479 166.411 62.134 168.967 1.00737.35 C ATOM 30580 C6 G 01479 165.960 62.150 170.311 1.00737.35 C ATOM 30581 O6 G 01479 165.088 62.860 170.827 1.00737.35 O ATOM 30582 N1 G 01479 166.637 61.212 171.087 1.00737.35 N ATOM 30583 C2 G 01479 167.616 60.368 170.631 1.00737.35 C ATOM 30584 N2 G 01479 168.147 59.535 171.534 1.00737.35 N ATOM 30585 N3 G 01479 168.047 60.346 169.381 1.00737.35 N ATOM 30586 C4 G 01479 167.406 61.248 168.609 1.00737.35 C ATOM 30587 P G 01480 166.160 57.858 163.499 1.00737.35 P ATOM 30588 O1P G 01480 166.358 56.905 162.375 1.00737.35 O ATOM 30589 O2P G 01480 164.968 58.743 163.508 1.00737.35 O ATOM 30590 O5* G 01480 166.173 57.027 164.861 1.00737.35 O ATOM 30591 C5* G 01480 167.225 56.108 165.146 1.00737.35 C ATOM 30592 C4* G 01480 167.161 55.666 166.591 1.00737.35 C ATOM 30593 O4* G 01480 167.338 56.819 167.454 1.00737.35 O ATOM 30594 C3* G 01480 165.844 55.061 167.047 1.00737.35 C ATOM 30595 O3* G 01480 165.776 53.676 166.721 1.00737.35 O ATOM 30596 C2* G 01480 165.901 55.276 168.556 1.00737.35 C ATOM 30597 O2* G 01480 166.681 54.306 169.227 1.00737.35 O ATOM 30598 C1* G 01480 166.586 56.644 168.645 1.00737.35 C ATOM 30599 N9 G 01480 165.645 57.752 168.779 1.00737.35 N ATOM 30600 C8 G 01480 165.242 58.633 167.802 1.00737.35 C ATOM 30601 N7 G 01480 164.383 59.517 168.229 1.00737.35 N ATOM 30602 C5 G 01480 164.204 59.203 169.569 1.00737.35 C ATOM 30603 C6 G 01480 163.385 59.814 170.558 1.00737.35 C ATOM 30604 O6 G 01480 162.629 60.788 170.441 1.00737.35 O ATOM 30605 N1 G 01480 163.506 59.177 171.787 1.00737.35 N ATOM 30606 C2 G 01480 164.311 58.091 172.040 1.00737.35 C ATOM 30607 N2 G 01480 164.288 57.616 173.293 1.00737.35 N ATOM 30608 N3 G 01480 165.077 57.514 171.130 1.00737.35 N ATOM 30609 C4 G 01480 164.976 58.117 169.925 1.00737.35 C ATOM 30610 P U 01481 164.373 53.029 166.266 1.00737.35 P ATOM 30611 O1P U 01481 164.556 51.556 166.236 1.00737.35 O ATOM 30612 O2P U 01481 163.907 53.735 165.047 1.00737.35 O ATOM 30613 O5* U 01481 163.372 53.377 167.457 1.00737.35 O ATOM 30614 C5* U 01481 163.660 52.986 168.799 1.00737.35 C ATOM 30615 C4* U 01481 162.714 53.668 169.762 1.00737.35 C ATOM 30616 O4* U 01481 162.834 55.106 169.608 1.00737.35 O ATOM 30617 C3* U 01481 161.236 53.386 169.543 1.00737.35 C ATOM 30618 O3* U 01481 160.861 52.188 170.211 1.00737.35 O ATOM 30619 C2* U 01481 160.577 54.608 170.172 1.00737.35 C ATOM 30620 O2* U 01481 160.471 54.517 171.579 1.00737.35 O ATOM 30621 C1* U 01481 161.567 55.716 169.803 1.00737.35 C ATOM 30622 N1 U 01481 161.204 56.449 168.578 1.00737.35 N ATOM 30623 C2 U 01481 160.387 57.563 168.709 1.00737.35 C ATOM 30624 O2 U 01481 159.963 57.958 169.783 1.00737.35 O ATOM 30625 N3 U 01481 160.084 58.202 167.531 1.00737.35 N ATOM 30626 C4 U 01481 160.502 57.850 166.263 1.00737.35 C ATOM 30627 O4 U 01481 160.144 58.528 165.298 1.00737.35 O ATOM 30628 C5 U 01481 161.340 56.692 166.208 1.00737.35 C ATOM 30629 C6 U 01481 161.654 56.048 167.337 1.00737.35 C ATOM 30630 P U 01482 160.065 51.037 169.414 1.00737.35 P ATOM 30631 O1P U 01482 160.492 51.080 167.991 1.00737.35 O ATOM 30632 O2P U 01482 158.624 51.151 169.752 1.00737.35 O ATOM 30633 O5* U 01482 160.626 49.691 170.054 1.00737.35 O ATOM 30634 C5* U 01482 160.223 48.415 169.562 1.00737.35 C ATOM 30635 C4* U 01482 161.441 47.604 169.182 1.00737.35 C ATOM 30636 O4* U 01482 162.374 47.585 170.292 1.00737.35 O ATOM 30637 C3* U 01482 161.190 46.136 168.873 1.00737.35 C ATOM 30638 O3* U 01482 160.763 45.960 167.523 1.00737.35 O ATOM 30639 C2* U 01482 162.559 45.517 169.129 1.00737.35 C ATOM 30640 O2* U 01482 163.454 45.676 168.047 1.00737.35 O ATOM 30641 C1* U 01482 163.045 46.333 170.330 1.00737.35 C ATOM 30642 N1 U 01482 162.780 45.694 171.629 1.00737.35 N ATOM 30643 C2 U 01482 163.751 44.845 172.145 1.00737.35 C ATOM 30644 O2 U 01482 164.804 44.610 171.571 1.00737.35 O ATOM 30645 N3 U 01482 163.444 44.281 173.358 1.00737.35 N ATOM 30646 C4 U 01482 162.294 44.473 174.096 1.00737.35 C ATOM 30647 O4 U 01482 162.166 43.896 175.177 1.00737.35 O ATOM 30648 C5 U 01482 161.340 45.358 173.501 1.00737.35 C ATOM 30649 C6 U 01482 161.608 45.923 172.320 1.00737.35 C ATOM 30650 P G 01483 160.062 44.582 167.080 1.00737.35 P ATOM 30651 O1P G 01483 159.206 44.866 165.898 1.00737.35 O ATOM 30652 O2P G 01483 159.457 43.959 168.286 1.00737.35 O ATOM 30653 O5* G 01483 161.281 43.665 166.614 1.00737.35 O ATOM 30654 C5* G 01483 161.854 43.813 165.317 1.00737.35 C ATOM 30655 C4* G 01483 162.975 42.815 165.115 1.00737.35 C ATOM 30656 O4* G 01483 164.072 43.126 166.012 1.00737.35 O ATOM 30657 C3* G 01483 162.642 41.364 165.424 1.00737.35 C ATOM 30658 O3* G 01483 161.998 40.738 164.319 1.00737.35 O ATOM 30659 C2* G 01483 164.021 40.767 165.691 1.00737.35 C ATOM 30660 O2* G 01483 164.719 40.431 164.510 1.00737.35 O ATOM 30661 C1* G 01483 164.727 41.927 166.398 1.00737.35 C ATOM 30662 N9 G 01483 164.706 41.831 167.856 1.00737.35 N ATOM 30663 C8 G 01483 163.869 42.491 168.725 1.00737.35 C ATOM 30664 N7 G 01483 164.101 42.206 169.978 1.00737.35 N ATOM 30665 C5 G 01483 165.155 41.304 169.937 1.00737.35 C ATOM 30666 C6 G 01483 165.842 40.644 170.987 1.00737.35 C ATOM 30667 O6 G 01483 165.659 40.735 172.208 1.00737.35 O ATOM 30668 N1 G 01483 166.842 39.807 170.499 1.00737.35 N ATOM 30669 C2 G 01483 167.147 39.632 169.172 1.00737.35 C ATOM 30670 N2 G 01483 168.149 38.783 168.903 1.00737.35 N ATOM 30671 N3 G 01483 166.516 40.243 168.182 1.00737.35 N ATOM 30672 C4 G 01483 165.538 41.056 168.633 1.00737.35 C ATOM 30673 P G 01484 161.072 39.443 164.565 1.00737.35 P ATOM 30674 O1P G 01484 160.557 38.987 163.251 1.00737.35 O ATOM 30675 O2P G 01484 160.116 39.776 165.652 1.00737.35 O ATOM 30676 O5* G 01484 162.092 38.346 165.110 1.00737.35 O ATOM 30677 C5* G 01484 161.638 37.236 165.881 1.00737.35 C ATOM 30678 C4* G 01484 162.751 36.229 166.049 1.00737.35 C ATOM 30679 O4* G 01484 163.916 36.886 166.615 1.00737.35 O ATOM 30680 C3* G 01484 162.457 35.089 167.009 1.00737.35 C ATOM 30681 O3* G 01484 161.738 34.044 166.360 1.00737.35 O ATOM 30682 C2* G 01484 163.854 34.650 167.428 1.00737.35 C ATOM 30683 O2* G 01484 164.481 33.808 166.481 1.00737.35 O ATOM 30684 C1* G 01484 164.588 35.992 167.491 1.00737.35 C ATOM 30685 N9 G 01484 164.606 36.581 168.828 1.00737.35 N ATOM 30686 C8 G 01484 163.697 37.468 169.362 1.00737.35 C ATOM 30687 N7 G 01484 163.980 37.818 170.587 1.00737.35 N ATOM 30688 C5 G 01484 165.146 37.124 170.883 1.00737.35 C ATOM 30689 C6 G 01484 165.926 37.102 172.068 1.00737.35 C ATOM 30690 O6 G 01484 165.736 37.712 173.129 1.00737.35 O ATOM 30691 N1 G 01484 167.026 36.261 171.939 1.00737.35 N ATOM 30692 C2 G 01484 167.338 35.533 170.818 1.00737.35 C ATOM 30693 N2 G 01484 168.445 34.780 170.890 1.00737.35 N ATOM 30694 N3 G 01484 166.622 35.545 169.707 1.00737.35 N ATOM 30695 C4 G 01484 165.546 36.356 169.810 1.00737.35 C ATOM 30696 P U 01485 160.766 33.093 167.217 1.00737.35 P ATOM 30697 O1P U 01485 160.120 32.131 166.284 1.00737.35 O ATOM 30698 O2P U 01485 159.921 33.964 168.072 1.00737.35 O ATOM 30699 O5* U 01485 161.761 32.284 168.167 1.00737.35 O ATOM 30700 C5* U 01485 162.644 31.299 167.634 1.00737.35 C ATOM 30701 C4* U 01485 163.487 30.701 168.736 1.00737.35 C ATOM 30702 O4* U 01485 164.374 31.714 169.277 1.00737.35 O ATOM 30703 C3* U 01485 162.727 30.185 169.946 1.00737.35 C ATOM 30704 O3* U 01485 162.238 28.867 169.720 1.00737.35 O ATOM 30705 C2* U 01485 163.788 30.224 171.038 1.00737.35 C ATOM 30706 O2* U 01485 164.661 29.112 171.006 1.00737.35 O ATOM 30707 C1* U 01485 164.556 31.498 170.668 1.00737.35 C ATOM 30708 N1 U 01485 164.107 32.695 171.399 1.00737.35 N ATOM 30709 C2 U 01485 164.681 32.952 172.638 1.00737.35 C ATOM 30710 O2 U 01485 165.530 32.236 173.141 1.00737.35 O ATOM 30711 N3 U 01485 164.218 34.083 173.264 1.00737.35 N ATOM 30712 C4 U 01485 163.266 34.966 172.797 1.00737.35 C ATOM 30713 O4 U 01485 162.967 35.948 173.478 1.00737.35 O ATOM 30714 C5 U 01485 162.720 34.633 171.518 1.00737.35 C ATOM 30715 C6 U 01485 163.147 33.538 170.878 1.00737.35 C ATOM 30716 P A 01486 160.846 28.407 170.384 1.00737.35 P ATOM 30717 O1P A 01486 160.481 27.081 169.817 1.00737.35 O ATOM 30718 O2P A 01486 159.893 29.540 170.268 1.00737.35 O ATOM 30719 O5* A 01486 161.200 28.220 171.926 1.00737.35 O ATOM 30720 C5* A 01486 161.832 27.029 172.396 1.00737.35 C ATOM 30721 C4* A 01486 161.976 27.068 173.901 1.00737.35 C ATOM 30722 O4* A 01486 162.919 28.106 174.274 1.00737.35 O ATOM 30723 C3* A 01486 160.717 27.405 174.680 1.00737.35 C ATOM 30724 O3* A 01486 159.902 26.252 174.867 1.00737.35 O ATOM 30725 C2* A 01486 161.284 27.928 175.996 1.00737.35 C ATOM 30726 O2* A 01486 161.661 26.898 176.889 1.00737.35 O ATOM 30727 C1* A 01486 162.530 28.677 175.515 1.00737.35 C ATOM 30728 N9 A 01486 162.312 30.112 175.315 1.00737.35 N ATOM 30729 C8 A 01486 161.805 30.747 174.207 1.00737.35 C ATOM 30730 N7 A 01486 161.726 32.050 174.334 1.00737.35 N ATOM 30731 C5 A 01486 162.213 32.291 175.612 1.00737.35 C ATOM 30732 C6 A 01486 162.390 33.475 176.350 1.00737.35 C ATOM 30733 N6 A 01486 162.083 34.688 175.886 1.00737.35 N ATOM 30734 N1 A 01486 162.900 33.368 177.596 1.00737.35 N ATOM 30735 C2 A 01486 163.205 32.150 178.060 1.00737.35 C ATOM 30736 N3 A 01486 163.084 30.965 177.465 1.00737.35 N ATOM 30737 C4 A 01486 162.576 31.106 176.228 1.00737.35 C ATOM 30738 P C 01487 158.307 26.412 174.974 1.00737.35 P ATOM 30739 O1P C 01487 157.699 25.061 174.843 1.00737.35 O ATOM 30740 O2P C 01487 157.890 27.493 174.043 1.00737.35 O ATOM 30741 O5* C 01487 158.069 26.927 176.463 1.00737.35 O ATOM 30742 C5* C 01487 158.245 26.054 177.576 1.00737.35 C ATOM 30743 C4* C 01487 158.116 26.818 178.874 1.00737.35 C ATOM 30744 O4* C 01487 159.181 27.800 178.965 1.00737.35 O ATOM 30745 C3* C 01487 156.843 27.634 179.051 1.00737.35 C ATOM 30746 O3* C 01487 155.768 26.823 179.513 1.00737.35 O ATOM 30747 C2* C 01487 157.269 28.667 180.086 1.00737.35 C ATOM 30748 O2* C 01487 157.248 28.171 181.410 1.00737.35 O ATOM 30749 C1* C 01487 158.712 28.947 179.661 1.00737.35 C ATOM 30750 N1 C 01487 158.844 30.128 178.778 1.00737.35 N ATOM 30751 C2 C 01487 159.046 31.390 179.359 1.00737.35 C ATOM 30752 O2 C 01487 159.118 31.482 180.597 1.00737.35 O ATOM 30753 N3 C 01487 159.155 32.475 178.562 1.00737.35 N ATOM 30754 C4 C 01487 159.073 32.339 177.236 1.00737.35 C ATOM 30755 N4 C 01487 159.184 33.441 176.487 1.00737.35 N ATOM 30756 C5 C 01487 158.872 31.072 176.616 1.00737.35 C ATOM 30757 C6 C 01487 158.765 30.002 177.417 1.00737.35 C ATOM 30758 P G 01488 154.249 27.308 179.291 1.00737.35 P ATOM 30759 O1P G 01488 153.355 26.153 179.566 1.00737.35 O ATOM 30760 O2P G 01488 154.176 27.995 177.976 1.00737.35 O ATOM 30761 O5* G 01488 154.024 28.400 180.431 1.00737.35 O ATOM 30762 C5* G 01488 154.001 28.027 181.807 1.00737.35 C ATOM 30763 C4* G 01488 153.867 29.249 182.686 1.00737.35 C ATOM 30764 O4* G 01488 155.026 30.105 182.508 1.00737.35 O ATOM 30765 C3* G 01488 152.688 30.165 182.393 1.00737.35 C ATOM 30766 O3* G 01488 151.493 29.694 183.010 1.00737.35 O ATOM 30767 C2* G 01488 153.154 31.484 182.993 1.00737.35 C ATOM 30768 O2* G 01488 152.985 31.548 184.397 1.00737.35 O ATOM 30769 C1* G 01488 154.646 31.464 182.651 1.00737.35 C ATOM 30770 N9 G 01488 154.970 32.176 181.414 1.00737.35 N ATOM 30771 C8 G 01488 155.703 31.708 180.348 1.00737.35 C ATOM 30772 N7 G 01488 155.829 32.583 179.387 1.00737.35 N ATOM 30773 C5 G 01488 155.137 33.698 179.842 1.00737.35 C ATOM 30774 C6 G 01488 154.924 34.962 179.231 1.00737.35 C ATOM 30775 O6 G 01488 155.320 35.364 178.130 1.00737.35 O ATOM 30776 N1 G 01488 154.165 35.799 180.042 1.00737.35 N ATOM 30777 C2 G 01488 153.673 35.468 181.280 1.00737.35 C ATOM 30778 N2 G 01488 152.958 36.413 181.908 1.00737.35 N ATOM 30779 N3 G 01488 153.868 34.297 181.862 1.00737.35 N ATOM 30780 C4 G 01488 154.601 33.466 181.091 1.00737.35 C ATOM 30781 P C 01489 150.077 30.340 182.599 1.00737.35 P ATOM 30782 O1P C 01489 149.951 30.294 181.119 1.00737.35 O ATOM 30783 O2P C 01489 149.969 31.642 183.303 1.00737.35 O ATOM 30784 O5* C 01489 148.999 29.351 183.231 1.00737.35 O ATOM 30785 C5* C 01489 148.719 28.091 182.626 1.00737.35 C ATOM 30786 C4* C 01489 147.257 27.742 182.795 1.00737.35 C ATOM 30787 O4* C 01489 146.963 27.552 184.204 1.00737.35 O ATOM 30788 C3* C 01489 146.267 28.806 182.343 1.00737.35 C ATOM 30789 O3* C 01489 146.039 28.735 180.939 1.00737.35 O ATOM 30790 C2* C 01489 145.028 28.459 183.160 1.00737.35 C ATOM 30791 O2* C 01489 144.279 27.398 182.605 1.00737.35 O ATOM 30792 C1* C 01489 145.655 28.018 184.487 1.00737.35 C ATOM 30793 N1 C 01489 145.742 29.103 185.488 1.00737.35 N ATOM 30794 C2 C 01489 144.645 29.335 186.334 1.00737.35 C ATOM 30795 O2 C 01489 143.629 28.625 186.224 1.00737.35 O ATOM 30796 N3 C 01489 144.717 30.328 187.252 1.00737.35 N ATOM 30797 C4 C 01489 145.825 31.069 187.346 1.00737.35 C ATOM 30798 N4 C 01489 145.853 32.036 188.266 1.00737.35 N ATOM 30799 C5 C 01489 146.952 30.855 186.501 1.00737.35 C ATOM 30800 C6 C 01489 146.868 29.871 185.595 1.00737.35 C ATOM 30801 P U 01490 145.308 29.954 180.179 1.00737.35 P ATOM 30802 O1P U 01490 143.860 29.900 180.501 1.00737.35 O ATOM 30803 O2P U 01490 145.745 29.899 178.759 1.00737.35 O ATOM 30804 O5* U 01490 145.926 31.276 180.826 1.00737.35 O ATOM 30805 C5* U 01490 145.399 31.817 182.037 1.00737.35 C ATOM 30806 C4* U 01490 145.348 33.327 181.967 1.00737.35 C ATOM 30807 O4* U 01490 146.697 33.859 181.886 1.00737.35 O ATOM 30808 C3* U 01490 144.646 33.920 180.757 1.00737.35 C ATOM 30809 O3* U 01490 143.235 33.953 180.950 1.00737.35 O ATOM 30810 C2* U 01490 145.243 35.323 180.694 1.00737.35 C ATOM 30811 O2* U 01490 144.624 36.229 181.587 1.00737.35 O ATOM 30812 C1* U 01490 146.686 35.065 181.137 1.00737.35 C ATOM 30813 N1 U 01490 147.638 34.944 180.020 1.00737.35 N ATOM 30814 C2 U 01490 148.218 36.111 179.538 1.00737.35 C ATOM 30815 O2 U 01490 147.976 37.217 179.998 1.00737.35 O ATOM 30816 N3 U 01490 149.096 35.934 178.496 1.00737.35 N ATOM 30817 C4 U 01490 149.448 34.743 177.898 1.00737.35 C ATOM 30818 O4 U 01490 150.256 34.752 176.966 1.00737.35 O ATOM 30819 C5 U 01490 148.810 33.586 178.447 1.00737.35 C ATOM 30820 C6 U 01490 147.951 33.722 179.462 1.00737.35 C ATOM 30821 P C 01491 142.252 33.838 179.683 1.00737.35 P ATOM 30822 O1P C 01491 140.862 33.688 180.189 1.00737.35 O ATOM 30823 O2P C 01491 142.810 32.812 178.764 1.00737.35 O ATOM 30824 O5* C 01491 142.375 35.258 178.967 1.00737.35 O ATOM 30825 C5* C 01491 141.813 36.428 179.559 1.00737.35 C ATOM 30826 C4* C 01491 141.939 37.607 178.619 1.00737.35 C ATOM 30827 O4* C 01491 143.342 37.909 178.410 1.00737.35 O ATOM 30828 C3* C 01491 141.386 37.403 177.218 1.00737.35 C ATOM 30829 O3* C 01491 139.983 37.654 177.181 1.00737.35 O ATOM 30830 C2* C 01491 142.162 38.434 176.409 1.00737.35 C ATOM 30831 O2* C 01491 141.626 39.740 176.508 1.00737.35 O ATOM 30832 C1* C 01491 143.534 38.387 177.088 1.00737.35 C ATOM 30833 N1 C 01491 144.512 37.519 176.399 1.00737.35 N ATOM 30834 C2 C 01491 145.215 38.032 175.295 1.00737.35 C ATOM 30835 O2 C 01491 144.995 39.198 174.925 1.00737.35 O ATOM 30836 N3 C 01491 146.116 37.245 174.663 1.00737.35 N ATOM 30837 C4 C 01491 146.329 35.999 175.087 1.00737.35 C ATOM 30838 N4 C 01491 147.234 35.265 174.434 1.00737.35 N ATOM 30839 C5 C 01491 145.629 35.450 176.200 1.00737.35 C ATOM 30840 C6 C 01491 144.737 36.235 176.820 1.00737.35 C ATOM 30841 P A 01492 139.034 36.758 176.241 1.00737.35 P ATOM 30842 O1P A 01492 137.663 37.328 176.286 1.00737.35 O ATOM 30843 O2P A 01492 139.247 35.336 176.621 1.00737.35 O ATOM 30844 O5* A 01492 139.619 36.969 174.776 1.00737.35 O ATOM 30845 C5* A 01492 139.554 38.242 174.130 1.00737.35 C ATOM 30846 C4* A 01492 140.376 38.229 172.862 1.00737.35 C ATOM 30847 O4* A 01492 141.766 37.984 173.199 1.00737.35 O ATOM 30848 C3* A 01492 140.021 37.138 171.860 1.00737.35 C ATOM 30849 O3* A 01492 138.965 37.564 171.003 1.00737.35 O ATOM 30850 C2* A 01492 141.328 36.963 171.094 1.00737.35 C ATOM 30851 O2* A 01492 141.515 37.935 170.083 1.00737.35 O ATOM 30852 C1* A 01492 142.364 37.169 172.204 1.00737.35 C ATOM 30853 N9 A 01492 142.815 35.924 172.833 1.00737.35 N ATOM 30854 C8 A 01492 142.513 35.455 174.090 1.00737.35 C ATOM 30855 N7 A 01492 143.075 34.309 174.377 1.00737.35 N ATOM 30856 C5 A 01492 143.799 33.997 173.234 1.00737.35 C ATOM 30857 C6 A 01492 144.621 32.906 172.905 1.00737.35 C ATOM 30858 N6 A 01492 144.864 31.888 173.732 1.00737.35 N ATOM 30859 N1 A 01492 145.191 32.895 171.681 1.00737.35 N ATOM 30860 C2 A 01492 144.950 33.920 170.853 1.00737.35 C ATOM 30861 N3 A 01492 144.202 35.004 171.050 1.00737.35 N ATOM 30862 C4 A 01492 143.647 34.982 172.273 1.00737.35 C ATOM 30863 P A 01493 137.947 36.479 170.384 1.00737.35 P ATOM 30864 O1P A 01493 136.575 36.829 170.836 1.00737.35 O ATOM 30865 O2P A 01493 138.484 35.120 170.654 1.00737.35 O ATOM 30866 O5* A 01493 138.031 36.731 168.813 1.00737.35 O ATOM 30867 C5* A 01493 137.789 38.025 168.260 1.00737.35 C ATOM 30868 C4* A 01493 138.400 38.127 166.881 1.00737.35 C ATOM 30869 O4* A 01493 139.834 37.909 166.984 1.00737.35 O ATOM 30870 C3* A 01493 137.931 37.094 165.868 1.00737.35 C ATOM 30871 O3* A 01493 136.731 37.517 165.225 1.00737.35 O ATOM 30872 C2* A 01493 139.102 37.035 164.895 1.00737.35 C ATOM 30873 O2* A 01493 139.099 38.091 163.956 1.00737.35 O ATOM 30874 C1* A 01493 140.291 37.194 165.847 1.00737.35 C ATOM 30875 N9 A 01493 140.850 35.918 166.298 1.00737.35 N ATOM 30876 C8 A 01493 140.451 35.150 167.367 1.00737.35 C ATOM 30877 N7 A 01493 141.147 34.051 167.518 1.00737.35 N ATOM 30878 C5 A 01493 142.066 34.095 166.480 1.00737.35 C ATOM 30879 C6 A 01493 143.092 33.216 166.089 1.00737.35 C ATOM 30880 N6 A 01493 143.375 32.075 166.722 1.00737.35 N ATOM 30881 N1 A 01493 143.830 33.555 165.009 1.00737.35 N ATOM 30882 C2 A 01493 143.549 34.698 164.372 1.00737.35 C ATOM 30883 N3 A 01493 142.611 35.603 164.642 1.00737.35 N ATOM 30884 C4 A 01493 141.898 35.238 165.721 1.00737.35 C ATOM 30885 P G 01494 135.682 36.421 164.689 1.00737.35 P ATOM 30886 O1P G 01494 134.566 37.138 164.021 1.00737.35 O ATOM 30887 O2P G 01494 135.391 35.495 165.813 1.00737.35 O ATOM 30888 O5* G 01494 136.495 35.620 163.576 1.00737.35 O ATOM 30889 C5* G 01494 136.054 34.344 163.119 1.00737.35 C ATOM 30890 C4* G 01494 137.190 33.605 162.453 1.00737.35 C ATOM 30891 O4* G 01494 138.339 33.598 163.340 1.00737.35 O ATOM 30892 C3* G 01494 136.925 32.138 162.147 1.00737.35 C ATOM 30893 O3* G 01494 136.268 31.984 160.892 1.00737.35 O ATOM 30894 C2* G 01494 138.330 31.551 162.134 1.00737.35 C ATOM 30895 O2* G 01494 139.015 31.770 160.916 1.00737.35 O ATOM 30896 C1* G 01494 139.001 32.346 163.257 1.00737.35 C ATOM 30897 N9 G 01494 138.928 31.700 164.565 1.00737.35 N ATOM 30898 C8 G 01494 138.146 32.079 165.635 1.00737.35 C ATOM 30899 N7 G 01494 138.295 31.312 166.675 1.00737.35 N ATOM 30900 C5 G 01494 139.230 30.364 166.276 1.00737.35 C ATOM 30901 C6 G 01494 139.789 29.272 166.985 1.00737.35 C ATOM 30902 O6 G 01494 139.568 28.912 168.150 1.00737.35 O ATOM 30903 N1 G 01494 140.695 28.566 166.200 1.00737.35 N ATOM 30904 C2 G 01494 141.026 28.872 164.904 1.00737.35 C ATOM 30905 N2 G 01494 141.928 28.070 164.316 1.00737.35 N ATOM 30906 N3 G 01494 140.515 29.891 164.235 1.00737.35 N ATOM 30907 C4 G 01494 139.629 30.590 164.975 1.00737.35 C ATOM 30908 P G 01495 135.388 30.667 160.608 1.00737.35 P ATOM 30909 O1P G 01495 134.666 30.865 159.323 1.00737.35 O ATOM 30910 O2P G 01495 134.617 30.360 161.840 1.00737.35 O ATOM 30911 O5* G 01495 136.468 29.513 160.403 1.00737.35 O ATOM 30912 C5* G 01495 137.334 29.510 159.267 1.00737.35 C ATOM 30913 C4* G 01495 138.320 28.367 159.356 1.00737.35 C ATOM 30914 O4* G 01495 139.167 28.552 160.524 1.00737.35 O ATOM 30915 C3* G 01495 137.724 26.976 159.523 1.00737.35 C ATOM 30916 O3* G 01495 137.194 26.477 158.281 1.00737.35 O ATOM 30917 C2* G 01495 138.839 26.217 160.244 1.00737.35 C ATOM 30918 O2* G 01495 139.902 25.774 159.425 1.00737.35 O ATOM 30919 C1* G 01495 139.375 27.307 161.175 1.00737.35 C ATOM 30920 N9 G 01495 138.716 27.361 162.479 1.00737.35 N ATOM 30921 C8 G 01495 137.737 28.244 162.873 1.00737.35 C ATOM 30922 N7 G 01495 137.346 28.062 164.104 1.00737.35 N ATOM 30923 C5 G 01495 138.105 26.989 164.552 1.00737.35 C ATOM 30924 C6 G 01495 138.121 26.346 165.813 1.00737.35 C ATOM 30925 O6 G 01495 137.445 26.600 166.819 1.00737.35 O ATOM 30926 N1 G 01495 139.038 25.301 165.842 1.00737.35 N ATOM 30927 C2 G 01495 139.842 24.925 164.793 1.00737.35 C ATOM 30928 N2 G 01495 140.663 23.886 165.022 1.00737.35 N ATOM 30929 N3 G 01495 139.841 25.523 163.611 1.00737.35 N ATOM 30930 C4 G 01495 138.954 26.541 163.562 1.00737.35 C ATOM 30931 P G 01496 138.022 25.432 157.372 1.00737.35 P ATOM 30932 O1P G 01496 139.342 26.031 157.037 1.00737.35 O ATOM 30933 O2P G 01496 137.110 25.028 156.271 1.00737.35 O ATOM 30934 O5* G 01496 138.252 24.148 158.287 1.00737.35 O ATOM 30935 C5* G 01496 139.143 23.113 157.869 1.00737.35 C ATOM 30936 C4* G 01496 139.036 21.910 158.780 1.00737.35 C ATOM 30937 O4* G 01496 139.382 22.301 160.135 1.00737.35 O ATOM 30938 C3* G 01496 137.657 21.283 158.919 1.00737.35 C ATOM 30939 O3* G 01496 137.388 20.378 157.852 1.00737.35 O ATOM 30940 C2* G 01496 137.773 20.551 160.250 1.00737.35 C ATOM 30941 O2* G 01496 138.427 19.301 160.146 1.00737.35 O ATOM 30942 C1* G 01496 138.638 21.522 161.059 1.00737.35 C ATOM 30943 N9 G 01496 137.852 22.423 161.900 1.00737.35 N ATOM 30944 C8 G 01496 137.142 23.530 161.501 1.00737.35 C ATOM 30945 N7 G 01496 136.524 24.124 162.485 1.00737.35 N ATOM 30946 C5 G 01496 136.850 23.367 163.603 1.00737.35 C ATOM 30947 C6 G 01496 136.471 23.524 164.959 1.00737.35 C ATOM 30948 O6 G 01496 135.745 24.389 165.463 1.00737.35 O ATOM 30949 N1 G 01496 137.029 22.532 165.761 1.00737.35 N ATOM 30950 C2 G 01496 137.842 21.521 165.318 1.00737.35 C ATOM 30951 N2 G 01496 138.281 20.663 166.251 1.00737.35 N ATOM 30952 N3 G 01496 138.199 21.363 164.056 1.00737.35 N ATOM 30953 C4 G 01496 137.671 22.314 163.259 1.00737.35 C ATOM 30954 P C 01497 135.868 20.120 157.390 1.00737.35 P ATOM 30955 O1P C 01497 135.864 18.982 156.433 1.00737.35 O ATOM 30956 O2P C 01497 135.305 21.429 156.972 1.00737.35 O ATOM 30957 O5* C 01497 135.130 19.672 158.731 1.00737.35 O ATOM 30958 C5* C 01497 134.922 18.296 159.040 1.00737.35 C ATOM 30959 C4* C 01497 135.463 17.983 160.416 1.00737.35 C ATOM 30960 O4* C 01497 134.919 18.926 161.377 1.00737.35 O ATOM 30961 C3* C 01497 135.095 16.619 160.980 1.00737.35 C ATOM 30962 O3* C 01497 135.984 15.611 160.501 1.00737.35 O ATOM 30963 C2* C 01497 135.238 16.841 162.481 1.00737.35 C ATOM 30964 O2* C 01497 136.578 16.764 162.930 1.00737.35 O ATOM 30965 C1* C 01497 134.730 18.278 162.626 1.00737.35 C ATOM 30966 N1 C 01497 133.304 18.370 162.999 1.00737.35 N ATOM 30967 C2 C 01497 132.957 18.371 164.362 1.00737.35 C ATOM 30968 O2 C 01497 133.856 18.294 165.217 1.00737.35 O ATOM 30969 N3 C 01497 131.651 18.453 164.709 1.00737.35 N ATOM 30970 C4 C 01497 130.712 18.536 163.763 1.00737.35 C ATOM 30971 N4 C 01497 129.438 18.619 164.154 1.00737.35 N ATOM 30972 C5 C 01497 131.035 18.537 162.375 1.00737.35 C ATOM 30973 C6 C 01497 132.330 18.454 162.042 1.00737.35 C ATOM 30974 P G 01498 135.480 14.085 160.390 1.00737.35 P ATOM 30975 O1P G 01498 136.501 13.318 159.636 1.00737.35 O ATOM 30976 O2P G 01498 134.074 14.103 159.910 1.00737.35 O ATOM 30977 O5* G 01498 135.478 13.564 161.898 1.00737.35 O ATOM 30978 C5* G 01498 136.637 13.698 162.718 1.00737.35 C ATOM 30979 C4* G 01498 136.450 12.966 164.028 1.00737.35 C ATOM 30980 O4* G 01498 135.286 13.497 164.714 1.00737.35 O ATOM 30981 C3* G 01498 136.168 11.474 163.936 1.00737.35 C ATOM 30982 O3* G 01498 137.375 10.732 163.781 1.00737.35 O ATOM 30983 C2* G 01498 135.500 11.197 165.277 1.00737.35 C ATOM 30984 O2* G 01498 136.420 11.064 166.343 1.00737.35 O ATOM 30985 C1* G 01498 134.666 12.466 165.469 1.00737.35 C ATOM 30986 N9 G 01498 133.286 12.313 165.016 1.00737.35 N ATOM 30987 C8 G 01498 132.818 12.390 163.725 1.00737.35 C ATOM 30988 N7 G 01498 131.533 12.187 163.633 1.00737.35 N ATOM 30989 C5 G 01498 131.125 11.964 164.940 1.00737.35 C ATOM 30990 C6 G 01498 129.835 11.682 165.468 1.00737.35 C ATOM 30991 O6 G 01498 128.762 11.560 164.863 1.00737.35 O ATOM 30992 N1 G 01498 129.870 11.534 166.851 1.00737.35 N ATOM 30993 C2 G 01498 130.999 11.637 167.628 1.00737.35 C ATOM 30994 N2 G 01498 130.829 11.462 168.948 1.00737.35 N ATOM 30995 N3 G 01498 132.204 11.892 167.149 1.00737.35 N ATOM 30996 C4 G 01498 132.193 12.045 165.809 1.00737.35 C ATOM 30997 P A 01499 137.327 9.251 163.153 1.00737.35 P ATOM 30998 O1P A 01499 138.725 8.788 162.957 1.00737.35 O ATOM 30999 O2P A 01499 136.395 9.277 161.996 1.00737.35 O ATOM 31000 O5* A 01499 136.663 8.365 164.300 1.00737.35 O ATOM 31001 C5* A 01499 137.304 8.206 165.566 1.00737.35 C ATOM 31002 C4* A 01499 136.459 7.355 166.484 1.00737.35 C ATOM 31003 O4* A 01499 135.186 8.013 166.718 1.00737.35 O ATOM 31004 C3* A 01499 136.076 5.980 165.961 1.00737.35 C ATOM 31005 O3* A 01499 137.119 5.036 166.187 1.00737.35 O ATOM 31006 C2* A 01499 134.832 5.660 166.782 1.00737.35 C ATOM 31007 O2* A 01499 135.127 5.186 168.080 1.00737.35 O ATOM 31008 C1* A 01499 134.167 7.035 166.873 1.00737.35 C ATOM 31009 N9 A 01499 133.145 7.258 165.847 1.00737.35 N ATOM 31010 C8 A 01499 133.291 7.843 164.612 1.00737.35 C ATOM 31011 N7 A 01499 132.184 7.890 163.915 1.00737.35 N ATOM 31012 C5 A 01499 131.242 7.296 164.743 1.00737.35 C ATOM 31013 C6 A 01499 129.869 7.037 164.583 1.00737.35 C ATOM 31014 N6 A 01499 129.178 7.359 163.487 1.00737.35 N ATOM 31015 N1 A 01499 129.222 6.431 165.601 1.00737.35 N ATOM 31016 C2 A 01499 129.916 6.107 166.700 1.00737.35 C ATOM 31017 N3 A 01499 131.207 6.297 166.968 1.00737.35 N ATOM 31018 C4 A 01499 131.820 6.902 165.937 1.00737.35 C ATOM 31019 P U 01500 137.210 3.712 165.277 1.00737.35 P ATOM 31020 O1P U 01500 138.456 2.988 165.641 1.00737.35 O ATOM 31021 O2P U 01500 136.982 4.115 163.867 1.00737.35 O ATOM 31022 O5* U 01500 135.965 2.835 165.748 1.00737.35 O ATOM 31023 C5* U 01500 135.890 2.321 167.078 1.00737.35 C ATOM 31024 C4* U 01500 134.515 1.757 167.350 1.00737.35 C ATOM 31025 O4* U 01500 133.531 2.819 167.238 1.00737.35 O ATOM 31026 C3* U 01500 134.025 0.691 166.382 1.00737.35 C ATOM 31027 O3* U 01500 134.519 -0.595 166.745 1.00737.35 O ATOM 31028 C2* U 01500 132.512 0.789 166.534 1.00737.35 C ATOM 31029 O2* U 01500 132.022 0.117 167.677 1.00737.35 O ATOM 31030 C1* U 01500 132.323 2.299 166.699 1.00737.35 C ATOM 31031 N1 U 01500 132.033 2.994 165.432 1.00737.35 N ATOM 31032 C2 U 01500 130.705 3.100 165.040 1.00737.35 C ATOM 31033 O2 U 01500 129.778 2.653 165.696 1.00737.35 O ATOM 31034 N3 U 01500 130.504 3.752 163.849 1.00737.35 N ATOM 31035 C4 U 01500 131.467 4.297 163.024 1.00737.35 C ATOM 31036 O4 U 01500 131.125 4.853 161.979 1.00737.35 O ATOM 31037 C5 U 01500 132.810 4.148 163.494 1.00737.35 C ATOM 31038 C6 U 01500 133.042 3.521 164.650 1.00737.35 C ATOM 31039 P C 01501 134.518 -1.787 165.664 1.00737.35 P ATOM 31040 O1P C 01501 135.347 -2.895 166.200 1.00737.35 O ATOM 31041 O2P C 01501 134.845 -1.202 164.337 1.00737.35 O ATOM 31042 O5* C 01501 132.998 -2.266 165.627 1.00737.35 O ATOM 31043 C5* C 01501 132.407 -2.902 166.759 1.00737.35 C ATOM 31044 C4* C 01501 130.987 -3.322 166.449 1.00737.35 C ATOM 31045 O4* C 01501 130.170 -2.145 166.213 1.00737.35 O ATOM 31046 C3* C 01501 130.797 -4.162 165.196 1.00737.35 C ATOM 31047 O3* C 01501 131.069 -5.535 165.450 1.00737.35 O ATOM 31048 C2* C 01501 129.329 -3.919 164.866 1.00737.35 C ATOM 31049 O2* C 01501 128.448 -4.709 165.637 1.00737.35 O ATOM 31050 C1* C 01501 129.170 -2.444 165.250 1.00737.35 C ATOM 31051 N1 C 01501 129.315 -1.519 164.106 1.00737.35 N ATOM 31052 C2 C 01501 128.183 -1.232 163.323 1.00737.35 C ATOM 31053 O2 C 01501 127.093 -1.758 163.611 1.00737.35 O ATOM 31054 N3 C 01501 128.306 -0.389 162.271 1.00737.35 N ATOM 31055 C4 C 01501 129.491 0.159 161.988 1.00737.35 C ATOM 31056 N4 C 01501 129.563 0.984 160.941 1.00737.35 N ATOM 31057 C5 C 01501 130.652 -0.113 162.767 1.00737.35 C ATOM 31058 C6 C 01501 130.521 -0.950 163.807 1.00737.35 C ATOM 31059 P G 01502 131.516 -6.497 164.242 1.00737.35 P ATOM 31060 O1P G 01502 131.855 -7.828 164.811 1.00737.35 O ATOM 31061 O2P G 01502 132.526 -5.769 163.430 1.00737.35 O ATOM 31062 O5* G 01502 130.195 -6.648 163.362 1.00737.35 O ATOM 31063 C5* G 01502 129.030 -7.271 163.899 1.00737.35 C ATOM 31064 C4* G 01502 127.867 -7.131 162.944 1.00737.35 C ATOM 31065 O4* G 01502 127.551 -5.724 162.768 1.00737.35 O ATOM 31066 C3* G 01502 128.098 -7.634 161.528 1.00737.35 C ATOM 31067 O3* G 01502 127.898 -9.041 161.443 1.00737.35 O ATOM 31068 C2* G 01502 127.054 -6.856 160.737 1.00737.35 C ATOM 31069 O2* G 01502 125.756 -7.411 160.834 1.00737.35 O ATOM 31070 C1* G 01502 127.086 -5.501 161.446 1.00737.35 C ATOM 31071 N9 G 01502 127.962 -4.525 160.794 1.00737.35 N ATOM 31072 C8 G 01502 129.185 -4.078 161.237 1.00737.35 C ATOM 31073 N7 G 01502 129.732 -3.204 160.436 1.00737.35 N ATOM 31074 C5 G 01502 128.818 -3.067 159.401 1.00737.35 C ATOM 31075 C6 G 01502 128.859 -2.257 158.236 1.00737.35 C ATOM 31076 O6 G 01502 129.744 -1.472 157.876 1.00737.35 O ATOM 31077 N1 G 01502 127.722 -2.426 157.453 1.00737.35 N ATOM 31078 C2 G 01502 126.678 -3.264 157.749 1.00737.35 C ATOM 31079 N2 G 01502 125.668 -3.289 156.866 1.00737.35 N ATOM 31080 N3 G 01502 126.623 -4.023 158.831 1.00737.35 N ATOM 31081 C4 G 01502 127.719 -3.876 159.608 1.00737.35 C ATOM 31082 P G 01503 128.580 -9.878 160.252 1.00737.35 P ATOM 31083 O1P G 01503 128.380 -11.325 160.528 1.00737.35 O ATOM 31084 O2P G 01503 129.957 -9.355 160.057 1.00737.35 O ATOM 31085 O5* G 01503 127.722 -9.493 158.965 1.00737.35 O ATOM 31086 C5* G 01503 126.309 -9.684 158.946 1.00737.35 C ATOM 31087 C4* G 01503 125.711 -9.107 157.683 1.00737.35 C ATOM 31088 O4* G 01503 125.998 -7.686 157.619 1.00737.35 O ATOM 31089 C3* G 01503 126.255 -9.653 156.375 1.00737.35 C ATOM 31090 O3* G 01503 125.602 -10.874 156.031 1.00737.35 O ATOM 31091 C2* G 01503 125.922 -8.533 155.396 1.00737.35 C ATOM 31092 O2* G 01503 124.578 -8.568 154.953 1.00737.35 O ATOM 31093 C1* G 01503 126.140 -7.290 156.264 1.00737.35 C ATOM 31094 N9 G 01503 127.451 -6.668 156.090 1.00737.35 N ATOM 31095 C8 G 01503 128.621 -6.994 156.735 1.00737.35 C ATOM 31096 N7 G 01503 129.631 -6.252 156.369 1.00737.35 N ATOM 31097 C5 G 01503 129.100 -5.385 155.425 1.00737.35 C ATOM 31098 C6 G 01503 129.717 -4.346 154.676 1.00737.35 C ATOM 31099 O6 G 01503 130.899 -3.973 154.699 1.00737.35 O ATOM 31100 N1 G 01503 128.809 -3.716 153.831 1.00737.35 N ATOM 31101 C2 G 01503 127.481 -4.037 153.720 1.00737.35 C ATOM 31102 N2 G 01503 126.768 -3.309 152.846 1.00737.35 N ATOM 31103 N3 G 01503 126.891 -4.999 154.412 1.00737.35 N ATOM 31104 C4 G 01503 127.754 -5.629 155.240 1.00737.35 C ATOM 31105 P G 01504 126.334 -11.931 155.064 1.00737.35 P ATOM 31106 O1P G 01504 125.555 -13.197 155.093 1.00737.35 O ATOM 31107 O2P G 01504 127.777 -11.951 155.414 1.00737.35 O ATOM 31108 O5* G 01504 126.189 -11.291 153.612 1.00737.35 O ATOM 31109 C5* G 01504 124.907 -10.968 153.077 1.00737.35 C ATOM 31110 C4* G 01504 125.046 -10.001 151.924 1.00737.35 C ATOM 31111 O4* G 01504 125.719 -8.803 152.395 1.00737.35 O ATOM 31112 C3* G 01504 125.898 -10.482 150.762 1.00737.35 C ATOM 31113 O3* G 01504 125.127 -11.258 149.849 1.00737.35 O ATOM 31114 C2* G 01504 126.363 -9.170 150.138 1.00737.35 C ATOM 31115 O2* G 01504 125.388 -8.572 149.306 1.00737.35 O ATOM 31116 C1* G 01504 126.577 -8.305 151.382 1.00737.35 C ATOM 31117 N9 G 01504 127.947 -8.330 151.887 1.00737.35 N ATOM 31118 C8 G 01504 128.541 -9.320 152.636 1.00737.35 C ATOM 31119 N7 G 01504 129.783 -9.062 152.937 1.00737.35 N ATOM 31120 C5 G 01504 130.030 -7.828 152.351 1.00737.35 C ATOM 31121 C6 G 01504 131.207 -7.034 152.339 1.00737.35 C ATOM 31122 O6 G 01504 132.304 -7.274 152.860 1.00737.35 O ATOM 31123 N1 G 01504 131.020 -5.853 151.629 1.00737.35 N ATOM 31124 C2 G 01504 129.852 -5.480 151.010 1.00737.35 C ATOM 31125 N2 G 01504 129.872 -4.300 150.373 1.00737.35 N ATOM 31126 N3 G 01504 128.747 -6.209 151.014 1.00737.35 N ATOM 31127 C4 G 01504 128.908 -7.362 151.699 1.00737.35 C ATOM 31128 P U 01505 125.841 -12.382 148.943 1.00737.35 P ATOM 31129 O1P U 01505 125.212 -13.688 149.259 1.00737.35 O ATOM 31130 O2P U 01505 127.313 -12.227 149.072 1.00737.35 O ATOM 31131 O5* U 01505 125.441 -11.990 147.450 1.00737.35 O ATOM 31132 C5* U 01505 125.253 -10.629 147.072 1.00737.35 C ATOM 31133 C4* U 01505 125.863 -10.369 145.716 1.00737.35 C ATOM 31134 O4* U 01505 125.576 -9.002 145.320 1.00737.35 O ATOM 31135 C3* U 01505 127.378 -10.472 145.655 1.00737.35 C ATOM 31136 O3* U 01505 127.791 -11.820 145.452 1.00737.35 O ATOM 31137 C2* U 01505 127.718 -9.580 144.465 1.00737.35 C ATOM 31138 O2* U 01505 127.527 -10.219 143.220 1.00737.35 O ATOM 31139 C1* U 01505 126.692 -8.454 144.633 1.00737.35 C ATOM 31140 N1 U 01505 127.198 -7.304 145.401 1.00737.35 N ATOM 31141 C2 U 01505 127.826 -6.282 144.701 1.00737.35 C ATOM 31142 O2 U 01505 127.974 -6.295 143.487 1.00737.35 O ATOM 31143 N3 U 01505 128.275 -5.241 145.479 1.00737.35 N ATOM 31144 C4 U 01505 128.164 -5.114 146.850 1.00737.35 C ATOM 31145 O4 U 01505 128.615 -4.112 147.406 1.00737.35 O ATOM 31146 C5 U 01505 127.509 -6.208 147.498 1.00737.35 C ATOM 31147 C6 U 01505 127.061 -7.238 146.774 1.00737.35 C ATOM 31148 P C 01506 129.233 -12.305 145.977 1.00737.35 P ATOM 31149 O1P C 01506 129.303 -13.781 145.830 1.00737.35 O ATOM 31150 O2P C 01506 129.464 -11.690 147.311 1.00737.35 O ATOM 31151 O5* C 01506 130.257 -11.653 144.946 1.00737.35 O ATOM 31152 C5* C 01506 131.659 -11.889 145.057 1.00737.35 C ATOM 31153 C4* C 01506 132.242 -12.218 143.702 1.00737.35 C ATOM 31154 O4* C 01506 131.642 -13.446 143.213 1.00737.35 O ATOM 31155 C3* C 01506 131.972 -11.200 142.604 1.00737.35 C ATOM 31156 O3* C 01506 132.943 -10.159 142.622 1.00737.35 O ATOM 31157 C2* C 01506 132.085 -12.048 141.343 1.00737.35 C ATOM 31158 O2* C 01506 133.423 -12.265 140.935 1.00737.35 O ATOM 31159 C1* C 01506 131.467 -13.369 141.808 1.00737.35 C ATOM 31160 N1 C 01506 130.025 -13.485 141.501 1.00737.35 N ATOM 31161 C2 C 01506 129.636 -13.961 140.236 1.00737.35 C ATOM 31162 O2 C 01506 130.510 -14.276 139.411 1.00737.35 O ATOM 31163 N3 C 01506 128.319 -14.065 139.947 1.00737.35 N ATOM 31164 C4 C 01506 127.405 -13.718 140.857 1.00737.35 C ATOM 31165 N4 C 01506 126.117 -13.835 140.527 1.00737.35 N ATOM 31166 C5 C 01506 127.770 -13.235 142.147 1.00737.35 C ATOM 31167 C6 C 01506 129.078 -13.134 142.423 1.00737.35 C ATOM 31168 P A 01507 132.483 -8.635 142.390 1.00737.35 P ATOM 31169 O1P A 01507 131.836 -8.147 143.635 1.00737.35 O ATOM 31170 O2P A 01507 131.735 -8.583 141.107 1.00737.35 O ATOM 31171 O5* A 01507 133.852 -7.848 142.191 1.00737.35 O ATOM 31172 C5* A 01507 134.878 -7.896 143.181 1.00737.35 C ATOM 31173 C4* A 01507 136.233 -8.044 142.526 1.00737.35 C ATOM 31174 O4* A 01507 136.259 -9.287 141.772 1.00737.35 O ATOM 31175 C3* A 01507 136.593 -6.977 141.503 1.00737.35 C ATOM 31176 O3* A 01507 137.168 -5.837 142.132 1.00737.35 O ATOM 31177 C2* A 01507 137.606 -7.698 140.624 1.00737.35 C ATOM 31178 O2* A 01507 138.906 -7.720 141.176 1.00737.35 O ATOM 31179 C1* A 01507 137.030 -9.116 140.596 1.00737.35 C ATOM 31180 N9 A 01507 136.173 -9.376 139.437 1.00737.35 N ATOM 31181 C8 A 01507 134.851 -9.037 139.267 1.00737.35 C ATOM 31182 N7 A 01507 134.354 -9.409 138.111 1.00737.35 N ATOM 31183 C5 A 01507 135.421 -10.033 137.476 1.00737.35 C ATOM 31184 C6 A 01507 135.543 -10.645 136.215 1.00737.35 C ATOM 31185 N6 A 01507 134.545 -10.733 135.334 1.00737.35 N ATOM 31186 N1 A 01507 136.742 -11.172 135.889 1.00737.35 N ATOM 31187 C2 A 01507 137.744 -11.083 136.774 1.00737.35 C ATOM 31188 N3 A 01507 137.753 -10.535 137.985 1.00737.35 N ATOM 31189 C4 A 01507 136.545 -10.020 138.281 1.00737.35 C ATOM 31190 P G 01508 137.016 -4.387 141.453 1.00737.35 P ATOM 31191 O1P G 01508 135.725 -3.802 141.899 1.00737.35 O ATOM 31192 O2P G 01508 137.288 -4.543 140.000 1.00737.35 O ATOM 31193 O5* G 01508 138.198 -3.535 142.103 1.00737.35 O ATOM 31194 C5* G 01508 138.954 -2.615 141.316 1.00737.35 C ATOM 31195 C4* G 01508 140.052 -1.990 142.143 1.00737.35 C ATOM 31196 O4* G 01508 139.463 -1.187 143.204 1.00737.35 O ATOM 31197 C3* G 01508 140.973 -2.951 142.881 1.00737.35 C ATOM 31198 O3* G 01508 142.003 -3.457 142.036 1.00737.35 O ATOM 31199 C2* G 01508 141.525 -2.069 143.996 1.00737.35 C ATOM 31200 O2* G 01508 142.578 -1.230 143.569 1.00737.35 O ATOM 31201 C1* G 01508 140.298 -1.232 144.352 1.00737.35 C ATOM 31202 N9 G 01508 139.534 -1.792 145.468 1.00737.35 N ATOM 31203 C8 G 01508 138.337 -2.470 145.405 1.00737.35 C ATOM 31204 N7 G 01508 137.910 -2.862 146.576 1.00737.35 N ATOM 31205 C5 G 01508 138.880 -2.416 147.463 1.00737.35 C ATOM 31206 C6 G 01508 138.964 -2.547 148.876 1.00737.35 C ATOM 31207 O6 G 01508 138.174 -3.107 149.648 1.00737.35 O ATOM 31208 N1 G 01508 140.115 -1.947 149.375 1.00737.35 N ATOM 31209 C2 G 01508 141.062 -1.301 148.620 1.00737.35 C ATOM 31210 N2 G 01508 142.102 -0.785 149.292 1.00737.35 N ATOM 31211 N3 G 01508 140.997 -1.174 147.307 1.00737.35 N ATOM 31212 C4 G 01508 139.886 -1.750 146.797 1.00737.35 C ATOM 31213 P A 01509 142.982 -4.615 142.577 1.00737.35 P ATOM 31214 O1P A 01509 142.328 -5.311 143.715 1.00737.35 O ATOM 31215 O2P A 01509 144.318 -4.000 142.767 1.00737.35 O ATOM 31216 O5* A 01509 143.088 -5.642 141.363 1.00737.35 O ATOM 31217 C5* A 01509 141.930 -6.288 140.837 1.00737.35 C ATOM 31218 C4* A 01509 142.077 -7.791 140.932 1.00737.35 C ATOM 31219 O4* A 01509 143.305 -8.188 140.262 1.00737.35 O ATOM 31220 C3* A 01509 142.216 -8.347 142.344 1.00737.35 C ATOM 31221 O3* A 01509 140.933 -8.574 142.923 1.00737.35 O ATOM 31222 C2* A 01509 142.968 -9.652 142.102 1.00737.35 C ATOM 31223 O2* A 01509 142.129 -10.705 141.667 1.00737.35 O ATOM 31224 C1* A 01509 143.920 -9.249 140.976 1.00737.35 C ATOM 31225 N9 A 01509 145.225 -8.787 141.455 1.00737.35 N ATOM 31226 C8 A 01509 145.621 -7.498 141.722 1.00737.35 C ATOM 31227 N7 A 01509 146.857 -7.401 142.144 1.00737.35 N ATOM 31228 C5 A 01509 147.308 -8.712 142.159 1.00737.35 C ATOM 31229 C6 A 01509 148.544 -9.284 142.513 1.00737.35 C ATOM 31230 N6 A 01509 149.592 -8.574 142.937 1.00737.35 N ATOM 31231 N1 A 01509 148.666 -10.626 142.416 1.00737.35 N ATOM 31232 C2 A 01509 147.614 -11.334 141.991 1.00737.35 C ATOM 31233 N3 A 01509 146.403 -10.914 141.630 1.00737.35 N ATOM 31234 C4 A 01509 146.314 -9.578 141.738 1.00737.35 C ATOM 31235 P A 01510 140.770 -8.603 144.525 1.00737.35 P ATOM 31236 O1P A 01510 139.323 -8.734 144.836 1.00737.35 O ATOM 31237 O2P A 01510 141.539 -7.464 145.084 1.00737.35 O ATOM 31238 O5* A 01510 141.501 -9.950 144.966 1.00737.35 O ATOM 31239 C5* A 01510 140.967 -11.225 144.615 1.00737.35 C ATOM 31240 C4* A 01510 141.715 -12.323 145.338 1.00737.35 C ATOM 31241 O4* A 01510 143.108 -12.300 144.929 1.00737.35 O ATOM 31242 C3* A 01510 141.762 -12.196 146.854 1.00737.35 C ATOM 31243 O3* A 01510 140.600 -12.766 147.451 1.00737.35 O ATOM 31244 C2* A 01510 143.017 -12.985 147.205 1.00737.35 C ATOM 31245 O2* A 01510 142.804 -14.382 147.248 1.00737.35 O ATOM 31246 C1* A 01510 143.936 -12.636 146.032 1.00737.35 C ATOM 31247 N9 A 01510 144.828 -11.507 146.302 1.00737.35 N ATOM 31248 C8 A 01510 144.564 -10.165 146.164 1.00737.35 C ATOM 31249 N7 A 01510 145.572 -9.392 146.487 1.00737.35 N ATOM 31250 C5 A 01510 146.569 -10.283 146.863 1.00737.35 C ATOM 31251 C6 A 01510 147.886 -10.091 147.314 1.00737.35 C ATOM 31252 N6 A 01510 148.450 -8.892 147.466 1.00737.35 N ATOM 31253 N1 A 01510 148.616 -11.191 147.603 1.00737.35 N ATOM 31254 C2 A 01510 148.051 -12.395 147.450 1.00737.35 C ATOM 31255 N3 A 01510 146.824 -12.703 147.035 1.00737.35 N ATOM 31256 C4 A 01510 146.124 -11.589 146.754 1.00737.35 C ATOM 31257 P A 01511 139.885 -12.020 148.682 1.00737.35 P ATOM 31258 O1P A 01511 138.820 -12.911 149.209 1.00737.35 O ATOM 31259 O2P A 01511 139.535 -10.648 148.233 1.00737.35 O ATOM 31260 O5* A 01511 141.030 -11.899 149.785 1.00737.35 O ATOM 31261 C5* A 01511 141.611 -13.061 150.374 1.00737.35 C ATOM 31262 C4* A 01511 142.791 -12.674 151.236 1.00737.35 C ATOM 31263 O4* A 01511 143.798 -12.038 150.407 1.00737.35 O ATOM 31264 C3* A 01511 142.500 -11.659 152.331 1.00737.35 C ATOM 31265 O3* A 01511 142.018 -12.304 153.507 1.00737.35 O ATOM 31266 C2* A 01511 143.866 -11.021 152.557 1.00737.35 C ATOM 31267 O2* A 01511 144.709 -11.791 153.388 1.00737.35 O ATOM 31268 C1* A 01511 144.427 -10.995 151.131 1.00737.35 C ATOM 31269 N9 A 01511 144.185 -9.735 150.425 1.00737.35 N ATOM 31270 C8 A 01511 143.012 -9.294 149.862 1.00737.35 C ATOM 31271 N7 A 01511 143.108 -8.117 149.293 1.00737.35 N ATOM 31272 C5 A 01511 144.433 -7.756 149.495 1.00737.35 C ATOM 31273 C6 A 01511 145.169 -6.616 149.129 1.00737.35 C ATOM 31274 N6 A 01511 144.651 -5.586 148.457 1.00737.35 N ATOM 31275 N1 A 01511 146.470 -6.568 149.483 1.00737.35 N ATOM 31276 C2 A 01511 146.989 -7.603 150.157 1.00737.35 C ATOM 31277 N3 A 01511 146.402 -8.728 150.558 1.00737.35 N ATOM 31278 C4 A 01511 145.108 -8.743 150.192 1.00737.35 C ATOM 31279 P A 01512 140.778 -11.675 154.315 1.00737.35 P ATOM 31280 O1P A 01512 140.573 -12.476 155.548 1.00737.35 O ATOM 31281 O2P A 01512 139.657 -11.509 153.354 1.00737.35 O ATOM 31282 O5* A 01512 141.282 -10.223 154.737 1.00737.35 O ATOM 31283 C5* A 01512 142.362 -10.056 155.656 1.00737.35 C ATOM 31284 C4* A 01512 142.781 -8.606 155.710 1.00737.35 C ATOM 31285 O4* A 01512 143.245 -8.200 154.394 1.00737.35 O ATOM 31286 C3* A 01512 141.677 -7.616 156.047 1.00737.35 C ATOM 31287 O3* A 01512 141.518 -7.479 157.456 1.00737.35 O ATOM 31288 C2* A 01512 142.185 -6.329 155.408 1.00737.35 C ATOM 31289 O2* A 01512 143.146 -5.658 156.201 1.00737.35 O ATOM 31290 C1* A 01512 142.845 -6.864 154.135 1.00737.35 C ATOM 31291 N9 A 01512 141.952 -6.867 152.973 1.00737.35 N ATOM 31292 C8 A 01512 140.938 -7.750 152.689 1.00737.35 C ATOM 31293 N7 A 01512 140.312 -7.494 151.567 1.00737.35 N ATOM 31294 C5 A 01512 140.956 -6.365 151.078 1.00737.35 C ATOM 31295 C6 A 01512 140.763 -5.597 149.915 1.00737.35 C ATOM 31296 N6 A 01512 139.826 -5.859 149.000 1.00737.35 N ATOM 31297 N1 A 01512 141.577 -4.537 149.722 1.00737.35 N ATOM 31298 C2 A 01512 142.515 -4.275 150.638 1.00737.35 C ATOM 31299 N3 A 01512 142.795 -4.920 151.770 1.00737.35 N ATOM 31300 C4 A 01512 141.969 -5.970 151.932 1.00737.35 C ATOM 31301 P U 01513 140.050 -7.257 158.076 1.00737.35 P ATOM 31302 O1P U 01513 139.387 -8.580 158.186 1.00737.35 O ATOM 31303 O2P U 01513 139.397 -6.172 157.298 1.00737.35 O ATOM 31304 O5* U 01513 140.329 -6.716 159.549 1.00737.35 O ATOM 31305 C5* U 01513 139.342 -5.967 160.256 1.00737.35 C ATOM 31306 C4* U 01513 140.000 -4.987 161.200 1.00737.35 C ATOM 31307 O4* U 01513 140.685 -5.710 162.256 1.00737.35 O ATOM 31308 C3* U 01513 141.079 -4.112 160.585 1.00737.35 C ATOM 31309 O3* U 01513 140.519 -2.973 159.940 1.00737.35 O ATOM 31310 C2* U 01513 141.909 -3.720 161.802 1.00737.35 C ATOM 31311 O2* U 01513 141.349 -2.652 162.538 1.00737.35 O ATOM 31312 C1* U 01513 141.858 -5.006 162.632 1.00737.35 C ATOM 31313 N1 U 01513 143.023 -5.886 162.432 1.00737.35 N ATOM 31314 C2 U 01513 144.151 -5.658 163.210 1.00737.35 C ATOM 31315 O2 U 01513 144.216 -4.765 164.046 1.00737.35 O ATOM 31316 N3 U 01513 145.201 -6.507 162.972 1.00737.35 N ATOM 31317 C4 U 01513 145.245 -7.543 162.061 1.00737.35 C ATOM 31318 O4 U 01513 146.268 -8.221 161.964 1.00737.35 O ATOM 31319 C5 U 01513 144.047 -7.719 161.297 1.00737.35 C ATOM 31320 C6 U 01513 143.005 -6.906 161.504 1.00737.35 C ATOM 31321 P C 01514 140.558 -2.867 158.336 1.00737.35 P ATOM 31322 O1P C 01514 139.279 -3.408 157.811 1.00737.35 O ATOM 31323 O2P C 01514 141.846 -3.443 157.867 1.00737.35 O ATOM 31324 O5* C 01514 140.585 -1.300 158.047 1.00737.35 O ATOM 31325 C5* C 01514 141.713 -0.505 158.407 1.00737.35 C ATOM 31326 C4* C 01514 142.260 0.210 157.192 1.00737.35 C ATOM 31327 O4* C 01514 142.729 -0.775 156.234 1.00737.35 O ATOM 31328 C3* C 01514 141.257 1.048 156.417 1.00737.35 C ATOM 31329 O3* C 01514 141.138 2.354 156.975 1.00737.35 O ATOM 31330 C2* C 01514 141.872 1.082 155.023 1.00737.35 C ATOM 31331 O2* C 01514 142.904 2.041 154.892 1.00737.35 O ATOM 31332 C1* C 01514 142.459 -0.329 154.914 1.00737.35 C ATOM 31333 N1 C 01514 141.556 -1.298 154.257 1.00737.35 N ATOM 31334 C2 C 01514 141.499 -1.335 152.852 1.00737.35 C ATOM 31335 O2 C 01514 142.213 -0.557 152.194 1.00737.35 O ATOM 31336 N3 C 01514 140.671 -2.218 152.250 1.00737.35 N ATOM 31337 C4 C 01514 139.920 -3.041 152.982 1.00737.35 C ATOM 31338 N4 C 01514 139.116 -3.891 152.341 1.00737.35 N ATOM 31339 C5 C 01514 139.959 -3.029 154.407 1.00737.35 C ATOM 31340 C6 C 01514 140.781 -2.150 154.997 1.00737.35 C ATOM 31341 P U 01515 139.711 3.093 156.984 1.00737.35 P ATOM 31342 O1P U 01515 139.907 4.468 157.512 1.00737.35 O ATOM 31343 O2P U 01515 138.738 2.186 157.646 1.00737.35 O ATOM 31344 O5* U 01515 139.317 3.199 155.443 1.00737.35 O ATOM 31345 C5* U 01515 140.099 3.972 154.534 1.00737.35 C ATOM 31346 C4* U 01515 139.753 3.613 153.107 1.00737.35 C ATOM 31347 O4* U 01515 140.059 2.209 152.880 1.00737.35 O ATOM 31348 C3* U 01515 138.286 3.740 152.730 1.00737.35 C ATOM 31349 O3* U 01515 137.959 5.076 152.357 1.00737.35 O ATOM 31350 C2* U 01515 138.169 2.773 151.559 1.00737.35 C ATOM 31351 O2* U 01515 138.640 3.313 150.341 1.00737.35 O ATOM 31352 C1* U 01515 139.088 1.639 152.017 1.00737.35 C ATOM 31353 N1 U 01515 138.374 0.574 152.744 1.00737.35 N ATOM 31354 C2 U 01515 137.785 -0.437 151.997 1.00737.35 C ATOM 31355 O2 U 01515 137.840 -0.484 150.778 1.00737.35 O ATOM 31356 N3 U 01515 137.128 -1.392 152.733 1.00737.35 N ATOM 31357 C4 U 01515 137.000 -1.443 154.106 1.00737.35 C ATOM 31358 O4 U 01515 136.371 -2.371 154.620 1.00737.35 O ATOM 31359 C5 U 01515 137.636 -0.370 154.804 1.00737.35 C ATOM 31360 C6 U 01515 138.286 0.577 154.121 1.00737.35 C ATOM 31361 P A 01516 136.425 5.560 152.385 1.00737.35 P ATOM 31362 O1P A 01516 136.398 7.019 152.104 1.00737.35 O ATOM 31363 O2P A 01516 135.811 5.045 153.635 1.00737.35 O ATOM 31364 O5* A 01516 135.762 4.791 151.158 1.00737.35 O ATOM 31365 C5* A 01516 135.943 5.252 149.818 1.00737.35 C ATOM 31366 C4* A 01516 135.162 4.392 148.851 1.00737.35 C ATOM 31367 O4* A 01516 135.741 3.061 148.795 1.00737.35 O ATOM 31368 C3* A 01516 133.706 4.141 149.199 1.00737.35 C ATOM 31369 O3* A 01516 132.876 5.230 148.813 1.00737.35 O ATOM 31370 C2* A 01516 133.402 2.877 148.405 1.00737.35 C ATOM 31371 O2* A 01516 133.140 3.131 147.039 1.00737.35 O ATOM 31372 C1* A 01516 134.717 2.108 148.548 1.00737.35 C ATOM 31373 N9 A 01516 134.699 1.148 149.652 1.00737.35 N ATOM 31374 C8 A 01516 134.866 1.392 150.995 1.00737.35 C ATOM 31375 N7 A 01516 134.781 0.320 151.743 1.00737.35 N ATOM 31376 C5 A 01516 134.544 -0.703 150.834 1.00737.35 C ATOM 31377 C6 A 01516 134.356 -2.086 150.997 1.00737.35 C ATOM 31378 N6 A 01516 134.380 -2.704 152.180 1.00737.35 N ATOM 31379 N1 A 01516 134.140 -2.824 149.886 1.00737.35 N ATOM 31380 C2 A 01516 134.117 -2.205 148.700 1.00737.35 C ATOM 31381 N3 A 01516 134.280 -0.914 148.419 1.00737.35 N ATOM 31382 C4 A 01516 134.492 -0.208 149.543 1.00737.35 C ATOM 31383 P C 01517 131.617 5.632 149.728 1.00737.35 P ATOM 31384 O1P C 01517 130.940 6.795 149.097 1.00737.35 O ATOM 31385 O2P C 01517 132.098 5.740 151.130 1.00737.35 O ATOM 31386 O5* C 01517 130.653 4.367 149.633 1.00737.35 O ATOM 31387 C5* C 01517 129.768 4.202 148.529 1.00737.35 C ATOM 31388 C4* C 01517 128.679 3.208 148.864 1.00737.35 C ATOM 31389 O4* C 01517 129.222 1.864 148.918 1.00737.35 O ATOM 31390 C3* C 01517 127.994 3.376 150.209 1.00737.35 C ATOM 31391 O3* C 01517 127.005 4.401 150.164 1.00737.35 O ATOM 31392 C2* C 01517 127.382 1.996 150.431 1.00737.35 C ATOM 31393 O2* C 01517 126.157 1.818 149.750 1.00737.35 O ATOM 31394 C1* C 01517 128.451 1.082 149.820 1.00737.35 C ATOM 31395 N1 C 01517 129.349 0.462 150.815 1.00737.35 N ATOM 31396 C2 C 01517 128.949 -0.738 151.433 1.00737.35 C ATOM 31397 O2 C 01517 127.855 -1.243 151.128 1.00737.35 O ATOM 31398 N3 C 01517 129.764 -1.316 152.346 1.00737.35 N ATOM 31399 C4 C 01517 130.933 -0.748 152.651 1.00737.35 C ATOM 31400 N4 C 01517 131.704 -1.357 153.558 1.00737.35 N ATOM 31401 C5 C 01517 131.363 0.468 152.043 1.00737.35 C ATOM 31402 C6 C 01517 130.550 1.032 151.141 1.00737.35 C ATOM 31403 P C 01518 126.589 5.171 151.514 1.00737.35 P ATOM 31404 O1P C 01518 125.873 6.415 151.133 1.00737.35 O ATOM 31405 O2P C 01518 127.791 5.258 152.384 1.00737.35 O ATOM 31406 O5* C 01518 125.548 4.185 152.212 1.00737.35 O ATOM 31407 C5* C 01518 124.294 3.900 151.597 1.00737.35 C ATOM 31408 C4* C 01518 123.649 2.695 152.239 1.00737.35 C ATOM 31409 O4* C 01518 124.512 1.536 152.065 1.00737.35 O ATOM 31410 C3* C 01518 123.417 2.761 153.741 1.00737.35 C ATOM 31411 O3* C 01518 122.320 3.627 154.082 1.00737.35 O ATOM 31412 C2* C 01518 123.361 1.285 154.130 1.00737.35 C ATOM 31413 O2* C 01518 122.146 0.623 153.851 1.00737.35 O ATOM 31414 C1* C 01518 124.444 0.703 153.217 1.00737.35 C ATOM 31415 N1 C 01518 125.780 0.645 153.846 1.00737.35 N ATOM 31416 C2 C 01518 126.131 -0.490 154.599 1.00737.35 C ATOM 31417 O2 C 01518 125.309 -1.415 154.716 1.00737.35 O ATOM 31418 N3 C 01518 127.350 -0.548 155.178 1.00737.35 N ATOM 31419 C4 C 01518 128.209 0.466 155.031 1.00737.35 C ATOM 31420 N4 C 01518 129.401 0.366 155.621 1.00737.35 N ATOM 31421 C5 C 01518 127.881 1.629 154.275 1.00737.35 C ATOM 31422 C6 C 01518 126.669 1.677 153.705 1.00737.35 C ATOM 31423 P G 01519 120.812 3.066 154.190 1.00737.35 P ATOM 31424 O1P G 01519 120.504 2.293 152.959 1.00737.35 O ATOM 31425 O2P G 01519 119.959 4.226 154.553 1.00737.35 O ATOM 31426 O5* G 01519 120.814 2.074 155.439 1.00737.35 O ATOM 31427 C5* G 01519 119.711 1.194 155.653 1.00737.35 C ATOM 31428 C4* G 01519 119.855 0.444 156.960 1.00737.35 C ATOM 31429 O4* G 01519 121.053 -0.373 156.935 1.00737.35 O ATOM 31430 C3* G 01519 119.973 1.265 158.237 1.00737.35 C ATOM 31431 O3* G 01519 118.676 1.794 158.575 1.00737.35 O ATOM 31432 C2* G 01519 120.625 0.261 159.186 1.00737.35 C ATOM 31433 O2* G 01519 119.726 -0.688 159.723 1.00737.35 O ATOM 31434 C1* G 01519 121.595 -0.459 158.244 1.00737.35 C ATOM 31435 N9 G 01519 122.941 0.111 158.218 1.00737.35 N ATOM 31436 C8 G 01519 123.386 1.155 157.441 1.00737.35 C ATOM 31437 N7 G 01519 124.647 1.430 157.624 1.00737.35 N ATOM 31438 C5 G 01519 125.064 0.517 158.581 1.00737.35 C ATOM 31439 C6 G 01519 126.337 0.331 159.179 1.00737.35 C ATOM 31440 O6 G 01519 127.388 0.953 158.971 1.00737.35 O ATOM 31441 N1 G 01519 126.319 -0.707 160.106 1.00737.35 N ATOM 31442 C2 G 01519 125.221 -1.469 160.418 1.00737.35 C ATOM 31443 N2 G 01519 125.408 -2.422 161.343 1.00737.35 N ATOM 31444 N3 G 01519 124.028 -1.309 159.866 1.00737.35 N ATOM 31445 C4 G 01519 124.022 -0.304 158.963 1.00737.35 C ATOM 31446 P G 01520 118.084 1.698 160.075 1.00737.35 P ATOM 31447 O1P G 01520 117.364 0.400 160.187 1.00737.35 O ATOM 31448 O2P G 01520 117.344 2.962 160.319 1.00737.35 O ATOM 31449 O5* G 01520 119.327 1.675 161.074 1.00737.35 O ATOM 31450 C5* G 01520 119.212 1.014 162.335 1.00737.35 C ATOM 31451 C4* G 01520 120.330 1.419 163.268 1.00737.35 C ATOM 31452 O4* G 01520 121.607 1.000 162.722 1.00737.35 O ATOM 31453 C3* G 01520 120.516 2.903 163.536 1.00737.35 C ATOM 31454 O3* G 01520 119.594 3.361 164.525 1.00737.35 O ATOM 31455 C2* G 01520 121.955 2.955 164.039 1.00737.35 C ATOM 31456 O2* G 01520 122.080 2.606 165.405 1.00737.35 O ATOM 31457 C1* G 01520 122.624 1.880 163.172 1.00737.35 C ATOM 31458 N9 G 01520 123.323 2.424 162.014 1.00737.35 N ATOM 31459 C8 G 01520 122.783 2.779 160.800 1.00737.35 C ATOM 31460 N7 G 01520 123.671 3.246 159.962 1.00737.35 N ATOM 31461 C5 G 01520 124.867 3.194 160.664 1.00737.35 C ATOM 31462 C6 G 01520 126.179 3.569 160.272 1.00737.35 C ATOM 31463 O6 G 01520 126.558 4.038 159.193 1.00737.35 O ATOM 31464 N1 G 01520 127.098 3.346 161.292 1.00737.35 N ATOM 31465 C2 G 01520 126.797 2.832 162.529 1.00737.35 C ATOM 31466 N2 G 01520 127.827 2.691 163.377 1.00737.35 N ATOM 31467 N3 G 01520 125.580 2.479 162.905 1.00737.35 N ATOM 31468 C4 G 01520 124.671 2.686 161.930 1.00737.35 C ATOM 31469 P U 01521 119.494 4.934 164.863 1.00737.35 P ATOM 31470 O1P U 01521 118.135 5.200 165.399 1.00737.35 O ATOM 31471 O2P U 01521 119.978 5.697 163.681 1.00737.35 O ATOM 31472 O5* U 01521 120.547 5.139 166.042 1.00737.35 O ATOM 31473 C5* U 01521 120.323 4.565 167.330 1.00737.35 C ATOM 31474 C4* U 01521 121.519 4.796 168.229 1.00737.35 C ATOM 31475 O4* U 01521 122.678 4.122 167.674 1.00737.35 O ATOM 31476 C3* U 01521 121.969 6.239 168.389 1.00737.35 C ATOM 31477 O3* U 01521 121.201 6.907 169.386 1.00737.35 O ATOM 31478 C2* U 01521 123.426 6.078 168.807 1.00737.35 C ATOM 31479 O2* U 01521 123.582 5.785 170.183 1.00737.35 O ATOM 31480 C1* U 01521 123.849 4.867 167.969 1.00737.35 C ATOM 31481 N1 U 01521 124.513 5.229 166.703 1.00737.35 N ATOM 31482 C2 U 01521 125.894 5.377 166.716 1.00737.35 C ATOM 31483 O2 U 01521 126.573 5.220 167.718 1.00737.35 O ATOM 31484 N3 U 01521 126.450 5.718 165.507 1.00737.35 N ATOM 31485 C4 U 01521 125.788 5.921 164.314 1.00737.35 C ATOM 31486 O4 U 01521 126.433 6.226 163.309 1.00737.35 O ATOM 31487 C5 U 01521 124.369 5.750 164.380 1.00737.35 C ATOM 31488 C6 U 01521 123.795 5.419 165.542 1.00737.35 C ATOM 31489 P C 01522 121.070 8.510 169.355 1.00737.35 P ATOM 31490 O1P C 01522 119.958 8.896 170.261 1.00737.35 O ATOM 31491 O2P C 01522 121.037 8.938 167.934 1.00737.35 O ATOM 31492 O5* C 01522 122.442 9.019 169.992 1.00737.35 O ATOM 31493 C5* C 01522 122.641 9.004 171.405 1.00737.35 C ATOM 31494 C4* C 01522 123.988 9.597 171.759 1.00737.35 C ATOM 31495 O4* C 01522 125.046 8.747 171.241 1.00737.35 O ATOM 31496 C3* C 01522 124.301 10.964 171.169 1.00737.35 C ATOM 31497 O3* C 01522 123.720 12.013 171.939 1.00737.35 O ATOM 31498 C2* C 01522 125.823 10.997 171.239 1.00737.35 C ATOM 31499 O2* C 01522 126.315 11.336 172.520 1.00737.35 O ATOM 31500 C1* C 01522 126.175 9.544 170.912 1.00737.35 C ATOM 31501 N1 C 01522 126.509 9.341 169.488 1.00737.35 N ATOM 31502 C2 C 01522 127.846 9.491 169.079 1.00737.35 C ATOM 31503 O2 C 01522 128.713 9.760 169.928 1.00737.35 O ATOM 31504 N3 C 01522 128.156 9.340 167.770 1.00737.35 N ATOM 31505 C4 C 01522 127.202 9.048 166.888 1.00737.35 C ATOM 31506 N4 C 01522 127.552 8.930 165.606 1.00737.35 N ATOM 31507 C5 C 01522 125.841 8.872 167.276 1.00737.35 C ATOM 31508 C6 C 01522 125.542 9.026 168.571 1.00737.35 C ATOM 31509 P A 01523 122.817 13.129 171.215 1.00737.35 P ATOM 31510 O1P A 01523 122.765 14.324 172.094 1.00737.35 O ATOM 31511 O2P A 01523 121.553 12.469 170.798 1.00737.35 O ATOM 31512 O5* A 01523 123.631 13.504 169.897 1.00737.35 O ATOM 31513 C5* A 01523 124.858 14.230 169.968 1.00737.35 C ATOM 31514 C4* A 01523 125.477 14.355 168.594 1.00737.35 C ATOM 31515 O4* A 01523 125.810 13.031 168.094 1.00737.35 O ATOM 31516 C3* A 01523 124.583 14.943 167.513 1.00737.35 C ATOM 31517 O3* A 01523 124.602 16.366 167.530 1.00737.35 O ATOM 31518 C2* A 01523 125.209 14.393 166.240 1.00737.35 C ATOM 31519 O2* A 01523 126.349 15.118 165.819 1.00737.35 O ATOM 31520 C1* A 01523 125.623 12.988 166.687 1.00737.35 C ATOM 31521 N9 A 01523 124.619 11.969 166.380 1.00737.35 N ATOM 31522 C8 A 01523 123.558 11.563 167.155 1.00737.35 C ATOM 31523 N7 A 01523 122.827 10.626 166.601 1.00737.35 N ATOM 31524 C5 A 01523 123.445 10.398 165.380 1.00737.35 C ATOM 31525 C6 A 01523 123.155 9.518 164.323 1.00737.35 C ATOM 31526 N6 A 01523 122.124 8.671 164.327 1.00737.35 N ATOM 31527 N1 A 01523 123.972 9.539 163.247 1.00737.35 N ATOM 31528 C2 A 01523 125.005 10.389 163.243 1.00737.35 C ATOM 31529 N3 A 01523 125.381 11.263 164.173 1.00737.35 N ATOM 31530 C4 A 01523 124.551 11.217 165.231 1.00737.35 C ATOM 31531 P C 01524 123.232 17.185 167.338 1.00737.35 P ATOM 31532 O1P C 01524 122.630 17.404 168.676 1.00737.35 O ATOM 31533 O2P C 01524 122.440 16.500 166.281 1.00737.35 O ATOM 31534 O5* C 01524 123.692 18.596 166.757 1.00737.35 O ATOM 31535 C5* C 01524 124.520 19.472 167.519 1.00737.35 C ATOM 31536 C4* C 01524 123.900 20.846 167.585 1.00737.35 C ATOM 31537 O4* C 01524 122.583 20.740 168.187 1.00737.35 O ATOM 31538 C3* C 01524 124.634 21.858 168.452 1.00737.35 C ATOM 31539 O3* C 01524 125.666 22.507 167.717 1.00737.35 O ATOM 31540 C2* C 01524 123.520 22.826 168.834 1.00737.35 C ATOM 31541 O2* C 01524 123.233 23.772 167.824 1.00737.35 O ATOM 31542 C1* C 01524 122.334 21.872 169.005 1.00737.35 C ATOM 31543 N1 C 01524 122.142 21.418 170.398 1.00737.35 N ATOM 31544 C2 C 01524 121.348 22.192 171.261 1.00737.35 C ATOM 31545 O2 C 01524 120.826 23.236 170.833 1.00737.35 O ATOM 31546 N3 C 01524 121.173 21.783 172.539 1.00737.35 N ATOM 31547 C4 C 01524 121.748 20.657 172.966 1.00737.35 C ATOM 31548 N4 C 01524 121.545 20.295 174.236 1.00737.35 N ATOM 31549 C5 C 01524 122.553 19.850 172.113 1.00737.35 C ATOM 31550 C6 C 01524 122.724 20.264 170.849 1.00737.35 C ATOM 31551 P A 01525 126.972 23.050 168.485 1.00737.35 P ATOM 31552 O1P A 01525 127.783 23.838 167.521 1.00737.35 O ATOM 31553 O2P A 01525 127.588 21.894 169.188 1.00737.35 O ATOM 31554 O5* A 01525 126.388 24.050 169.578 1.00737.35 O ATOM 31555 C5* A 01525 127.188 24.486 170.675 1.00737.35 C ATOM 31556 C4* A 01525 126.318 24.743 171.884 1.00737.35 C ATOM 31557 O4* A 01525 125.527 23.557 172.162 1.00737.35 O ATOM 31558 C3* A 01525 127.072 25.010 173.180 1.00737.35 C ATOM 31559 O3* A 01525 127.421 26.386 173.303 1.00737.35 O ATOM 31560 C2* A 01525 126.057 24.591 174.237 1.00737.35 C ATOM 31561 O2* A 01525 125.087 25.587 174.500 1.00737.35 O ATOM 31562 C1* A 01525 125.394 23.386 173.564 1.00737.35 C ATOM 31563 N9 A 01525 126.001 22.104 173.932 1.00737.35 N ATOM 31564 C8 A 01525 127.081 21.483 173.354 1.00737.35 C ATOM 31565 N7 A 01525 127.391 20.337 173.907 1.00737.35 N ATOM 31566 C5 A 01525 126.454 20.192 174.921 1.00737.35 C ATOM 31567 C6 A 01525 126.245 19.184 175.879 1.00737.35 C ATOM 31568 N6 A 01525 126.997 18.084 175.971 1.00737.35 N ATOM 31569 N1 A 01525 125.223 19.344 176.746 1.00737.35 N ATOM 31570 C2 A 01525 124.469 20.446 176.651 1.00737.35 C ATOM 31571 N3 A 01525 124.567 21.463 175.797 1.00737.35 N ATOM 31572 C4 A 01525 125.591 21.273 174.949 1.00737.35 C ATOM 31573 P U 01526 128.903 26.792 173.776 1.00737.35 P ATOM 31574 O1P U 01526 128.875 28.209 174.217 1.00737.35 O ATOM 31575 O2P U 01526 129.838 26.379 172.696 1.00737.35 O ATOM 31576 O5* U 01526 129.166 25.877 175.055 1.00737.35 O ATOM 31577 C5* U 01526 130.473 25.395 175.358 1.00737.35 C ATOM 31578 C4* U 01526 130.446 23.894 175.528 1.00737.35 C ATOM 31579 O4* U 01526 129.812 23.296 174.368 1.00737.35 O ATOM 31580 C3* U 01526 131.810 23.223 175.611 1.00737.35 C ATOM 31581 O3* U 01526 132.306 23.229 176.947 1.00737.35 O ATOM 31582 C2* U 01526 131.507 21.812 175.123 1.00737.35 C ATOM 31583 O2* U 01526 130.948 20.984 176.125 1.00737.35 O ATOM 31584 C1* U 01526 130.466 22.081 174.036 1.00737.35 C ATOM 31585 N1 U 01526 131.036 22.211 172.682 1.00737.35 N ATOM 31586 C2 U 01526 131.181 21.057 171.925 1.00737.35 C ATOM 31587 O2 U 01526 130.863 19.949 172.328 1.00737.35 O ATOM 31588 N3 U 01526 131.711 21.251 170.673 1.00737.35 N ATOM 31589 C4 U 01526 132.105 22.448 170.111 1.00737.35 C ATOM 31590 O4 U 01526 132.552 22.459 168.963 1.00737.35 O ATOM 31591 C5 U 01526 131.928 23.591 170.952 1.00737.35 C ATOM 31592 C6 U 01526 131.414 23.438 172.176 1.00737.35 C ATOM 31593 P G 01527 133.893 23.214 177.208 1.00737.35 P ATOM 31594 O1P G 01527 134.122 23.109 178.672 1.00737.35 O ATOM 31595 O2P G 01527 134.479 24.354 176.456 1.00737.35 O ATOM 31596 O5* G 01527 134.381 21.858 176.530 1.00737.35 O ATOM 31597 C5* G 01527 135.747 21.668 176.163 1.00737.35 C ATOM 31598 C4* G 01527 135.859 20.583 175.117 1.00737.35 C ATOM 31599 O4* G 01527 134.961 20.883 174.018 1.00737.35 O ATOM 31600 C3* G 01527 137.229 20.443 174.470 1.00737.35 C ATOM 31601 O3* G 01527 138.079 19.603 175.245 1.00737.35 O ATOM 31602 C2* G 01527 136.889 19.819 173.122 1.00737.35 C ATOM 31603 O2* G 01527 136.697 18.419 173.189 1.00737.35 O ATOM 31604 C1* G 01527 135.564 20.509 172.792 1.00737.35 C ATOM 31605 N9 G 01527 135.714 21.706 171.967 1.00737.35 N ATOM 31606 C8 G 01527 135.988 22.983 172.398 1.00737.35 C ATOM 31607 N7 G 01527 136.058 23.850 171.425 1.00737.35 N ATOM 31608 C5 G 01527 135.816 23.102 170.281 1.00737.35 C ATOM 31609 C6 G 01527 135.761 23.496 168.921 1.00737.35 C ATOM 31610 O6 G 01527 135.924 24.624 168.437 1.00737.35 O ATOM 31611 N1 G 01527 135.486 22.419 168.085 1.00737.35 N ATOM 31612 C2 G 01527 135.289 21.126 168.503 1.00737.35 C ATOM 31613 N2 G 01527 135.036 20.226 167.543 1.00737.35 N ATOM 31614 N3 G 01527 135.337 20.744 169.769 1.00737.35 N ATOM 31615 C4 G 01527 135.602 21.777 170.598 1.00737.35 C ATOM 31616 P C 01528 139.651 19.930 175.340 1.00737.35 P ATOM 31617 O1P C 01528 140.292 18.872 176.162 1.00737.35 O ATOM 31618 O2P C 01528 139.787 21.356 175.743 1.00737.35 O ATOM 31619 O5* C 01528 140.170 19.778 173.843 1.00737.35 O ATOM 31620 C5* C 01528 141.348 20.452 173.399 1.00737.35 C ATOM 31621 C4* C 01528 141.632 20.121 171.955 1.00737.35 C ATOM 31622 O4* C 01528 140.441 20.372 171.158 1.00737.35 O ATOM 31623 C3* C 01528 142.714 20.967 171.300 1.00737.35 C ATOM 31624 O3* C 01528 144.016 20.441 171.549 1.00737.35 O ATOM 31625 C2* C 01528 142.338 20.885 169.825 1.00737.35 C ATOM 31626 O2* C 01528 142.757 19.685 169.210 1.00737.35 O ATOM 31627 C1* C 01528 140.810 20.925 169.903 1.00737.35 C ATOM 31628 N1 C 01528 140.244 22.289 169.804 1.00737.35 N ATOM 31629 C2 C 01528 140.159 22.903 168.541 1.00737.35 C ATOM 31630 O2 C 01528 140.567 22.294 167.535 1.00737.35 O ATOM 31631 N3 C 01528 139.635 24.148 168.450 1.00737.35 N ATOM 31632 C4 C 01528 139.210 24.779 169.547 1.00737.35 C ATOM 31633 N4 C 01528 138.699 26.002 169.404 1.00737.35 N ATOM 31634 C5 C 01528 139.290 24.182 170.838 1.00737.35 C ATOM 31635 C6 C 01528 139.808 22.950 170.921 1.00737.35 C ATOM 31636 P C 01529 145.214 21.431 171.976 1.00737.35 P ATOM 31637 O1P C 01529 146.405 20.598 172.279 1.00737.35 O ATOM 31638 O2P C 01529 144.688 22.361 173.011 1.00737.35 O ATOM 31639 O5* C 01529 145.527 22.277 170.660 1.00737.35 O ATOM 31640 C5* C 01529 144.559 23.164 170.107 1.00737.35 C ATOM 31641 C4* C 01529 144.974 23.603 168.723 1.00737.35 C ATOM 31642 O4* C 01529 143.850 24.258 168.078 1.00737.35 O ATOM 31643 C3* C 01529 146.105 24.617 168.666 1.00737.35 C ATOM 31644 O3* C 01529 147.380 23.981 168.688 1.00737.35 O ATOM 31645 C2* C 01529 145.846 25.313 167.335 1.00737.35 C ATOM 31646 O2* C 01529 146.330 24.583 166.224 1.00737.35 O ATOM 31647 C1* C 01529 144.317 25.352 167.302 1.00737.35 C ATOM 31648 N1 C 01529 143.735 26.597 167.846 1.00737.35 N ATOM 31649 C2 C 01529 143.784 27.769 167.069 1.00737.35 C ATOM 31650 O2 C 01529 144.322 27.736 165.948 1.00737.35 O ATOM 31651 N3 C 01529 143.239 28.909 167.562 1.00737.35 N ATOM 31652 C4 C 01529 142.665 28.909 168.766 1.00737.35 C ATOM 31653 N4 C 01529 142.125 30.050 169.200 1.00737.35 N ATOM 31654 C5 C 01529 142.610 27.740 169.577 1.00737.35 C ATOM 31655 C6 C 01529 143.151 26.620 169.085 1.00737.35 C ATOM 31656 P U 01530 148.624 24.708 169.403 1.00737.35 P ATOM 31657 O1P U 01530 149.854 23.938 169.086 1.00737.35 O ATOM 31658 O2P U 01530 148.251 24.936 170.824 1.00737.35 O ATOM 31659 O5* U 01530 148.719 26.128 168.683 1.00737.35 O ATOM 31660 C5* U 01530 149.017 26.228 167.292 1.00737.35 C ATOM 31661 C4* U 01530 148.666 27.606 166.779 1.00737.35 C ATOM 31662 O4* U 01530 147.245 27.839 166.966 1.00737.35 O ATOM 31663 C3* U 01530 149.341 28.773 167.483 1.00737.35 C ATOM 31664 O3* U 01530 150.626 29.022 166.918 1.00737.35 O ATOM 31665 C2* U 01530 148.363 29.915 167.229 1.00737.35 C ATOM 31666 O2* U 01530 148.498 30.479 165.939 1.00737.35 O ATOM 31667 C1* U 01530 147.019 29.192 167.334 1.00737.35 C ATOM 31668 N1 U 01530 146.429 29.217 168.683 1.00737.35 N ATOM 31669 C2 U 01530 145.780 30.376 169.092 1.00737.35 C ATOM 31670 O2 U 01530 145.687 31.373 168.391 1.00737.35 O ATOM 31671 N3 U 01530 145.243 30.325 170.357 1.00737.35 N ATOM 31672 C4 U 01530 145.285 29.263 171.235 1.00737.35 C ATOM 31673 O4 U 01530 144.726 29.360 172.329 1.00737.35 O ATOM 31674 C5 U 01530 145.975 28.111 170.749 1.00737.35 C ATOM 31675 C6 U 01530 146.509 28.125 169.525 1.00737.35 C ATOM 31676 P C 01531 151.552 30.203 167.506 1.00737.35 P ATOM 31677 O1P C 01531 152.962 29.734 167.481 1.00737.35 O ATOM 31678 O2P C 01531 150.961 30.677 168.786 1.00737.35 O ATOM 31679 O5* C 01531 151.397 31.370 166.433 1.00737.35 O ATOM 31680 C5* C 01531 151.826 31.186 165.086 1.00737.35 C ATOM 31681 C4* C 01531 151.419 32.366 164.230 1.00737.35 C ATOM 31682 O4* C 01531 149.972 32.444 164.167 1.00737.35 O ATOM 31683 C3* C 01531 151.844 33.734 164.740 1.00737.35 C ATOM 31684 O3* C 01531 153.183 34.029 164.359 1.00737.35 O ATOM 31685 C2* C 01531 150.846 34.657 164.050 1.00737.35 C ATOM 31686 O2* C 01531 151.202 34.963 162.716 1.00737.35 O ATOM 31687 C1* C 01531 149.574 33.804 164.064 1.00737.35 C ATOM 31688 N1 C 01531 148.658 34.122 165.178 1.00737.35 N ATOM 31689 C2 C 01531 147.686 35.120 164.992 1.00737.35 C ATOM 31690 O2 C 01531 147.616 35.705 163.898 1.00737.35 O ATOM 31691 N3 C 01531 146.845 35.419 166.010 1.00737.35 N ATOM 31692 C4 C 01531 146.945 34.768 167.171 1.00737.35 C ATOM 31693 N4 C 01531 146.094 35.098 168.146 1.00737.35 N ATOM 31694 C5 C 01531 147.921 33.754 167.386 1.00737.35 C ATOM 31695 C6 C 01531 148.748 33.465 166.374 1.00737.35 C ATOM 31696 P A 01532 154.168 34.757 165.402 1.00737.35 P ATOM 31697 O1P A 01532 155.403 35.148 164.676 1.00737.35 O ATOM 31698 O2P A 01532 154.269 33.886 166.601 1.00737.35 O ATOM 31699 O5* A 01532 153.384 36.080 165.817 1.00737.35 O ATOM 31700 C5* A 01532 153.074 37.083 164.850 1.00737.35 C ATOM 31701 C4* A 01532 152.108 38.088 165.431 1.00737.35 C ATOM 31702 O4* A 01532 150.857 37.425 165.754 1.00737.35 O ATOM 31703 C3* A 01532 152.537 38.733 166.740 1.00737.35 C ATOM 31704 O3* A 01532 153.403 39.841 166.504 1.00737.35 O ATOM 31705 C2* A 01532 151.205 39.162 167.344 1.00737.35 C ATOM 31706 O2* A 01532 150.711 40.374 166.811 1.00737.35 O ATOM 31707 C1* A 01532 150.297 38.002 166.923 1.00737.35 C ATOM 31708 N9 A 01532 150.177 36.960 167.946 1.00737.35 N ATOM 31709 C8 A 01532 150.967 35.850 168.120 1.00737.35 C ATOM 31710 N7 A 01532 150.609 35.100 169.134 1.00737.35 N ATOM 31711 C5 A 01532 149.507 35.758 169.662 1.00737.35 C ATOM 31712 C6 A 01532 148.666 35.470 170.753 1.00737.35 C ATOM 31713 N6 A 01532 148.811 34.400 171.538 1.00737.35 N ATOM 31714 N1 A 01532 147.658 36.332 171.012 1.00737.35 N ATOM 31715 C2 A 01532 147.511 37.402 170.224 1.00737.35 C ATOM 31716 N3 A 01532 148.235 37.780 169.171 1.00737.35 N ATOM 31717 C4 A 01532 149.229 36.906 168.941 1.00737.35 C ATOM 31718 P G 01533 154.381 40.350 167.674 1.00737.35 P ATOM 31719 O1P G 01533 155.348 41.311 167.079 1.00737.35 O ATOM 31720 O2P G 01533 154.889 39.156 168.401 1.00737.35 O ATOM 31721 O5* G 01533 153.415 41.150 168.658 1.00737.35 O ATOM 31722 C5* G 01533 152.859 42.406 168.272 1.00737.35 C ATOM 31723 C4* G 01533 151.931 42.925 169.347 1.00737.35 C ATOM 31724 O4* G 01533 150.780 42.048 169.463 1.00737.35 O ATOM 31725 C3* G 01533 152.504 42.973 170.754 1.00737.35 C ATOM 31726 O3* G 01533 153.270 44.158 170.954 1.00737.35 O ATOM 31727 C2* G 01533 151.247 42.952 171.616 1.00737.35 C ATOM 31728 O2* G 01533 150.632 44.219 171.734 1.00737.35 O ATOM 31729 C1* G 01533 150.342 42.011 170.814 1.00737.35 C ATOM 31730 N9 G 01533 150.375 40.627 171.283 1.00737.35 N ATOM 31731 C8 G 01533 151.082 39.579 170.741 1.00737.35 C ATOM 31732 N7 G 01533 150.904 38.454 171.381 1.00737.35 N ATOM 31733 C5 G 01533 150.027 38.779 172.408 1.00737.35 C ATOM 31734 C6 G 01533 149.468 37.968 173.430 1.00737.35 C ATOM 31735 O6 G 01533 149.639 36.761 173.639 1.00737.35 O ATOM 31736 N1 G 01533 148.630 38.702 174.263 1.00737.35 N ATOM 31737 C2 G 01533 148.360 40.043 174.131 1.00737.35 C ATOM 31738 N2 G 01533 147.525 40.572 175.039 1.00737.35 N ATOM 31739 N3 G 01533 148.872 40.808 173.183 1.00737.35 N ATOM 31740 C4 G 01533 149.691 40.117 172.361 1.00737.35 C ATOM 31741 P A 01534 154.413 44.186 172.088 1.00737.35 P ATOM 31742 O1P A 01534 155.144 45.474 171.971 1.00737.35 O ATOM 31743 O2P A 01534 155.165 42.908 172.008 1.00737.35 O ATOM 31744 O5* A 01534 153.594 44.192 173.454 1.00737.35 O ATOM 31745 C5* A 01534 152.798 45.319 173.824 1.00737.35 C ATOM 31746 C4* A 01534 152.098 45.063 175.138 1.00737.35 C ATOM 31747 O4* A 01534 151.145 43.978 174.978 1.00737.35 O ATOM 31748 C3* A 01534 152.985 44.611 176.286 1.00737.35 C ATOM 31749 O3* A 01534 153.604 45.725 176.923 1.00737.35 O ATOM 31750 C2* A 01534 151.988 43.909 177.204 1.00737.35 C ATOM 31751 O2* A 01534 151.253 44.805 178.015 1.00737.35 O ATOM 31752 C1* A 01534 151.055 43.244 176.188 1.00737.35 C ATOM 31753 N9 A 01534 151.389 41.844 175.914 1.00737.35 N ATOM 31754 C8 A 01534 152.250 41.345 174.966 1.00737.35 C ATOM 31755 N7 A 01534 152.338 40.037 174.967 1.00737.35 N ATOM 31756 C5 A 01534 151.477 39.647 175.983 1.00737.35 C ATOM 31757 C6 A 01534 151.122 38.382 176.489 1.00737.35 C ATOM 31758 N6 A 01534 151.608 37.231 176.018 1.00737.35 N ATOM 31759 N1 A 01534 150.234 38.341 177.507 1.00737.35 N ATOM 31760 C2 A 01534 149.746 39.494 177.978 1.00737.35 C ATOM 31761 N3 A 01534 150.003 40.740 177.589 1.00737.35 N ATOM 31762 C4 A 01534 150.887 40.749 176.575 1.00737.35 C ATOM 31763 P C 01535 155.019 45.536 177.659 1.00737.35 P ATOM 31764 O1P C 01535 155.483 46.870 178.121 1.00737.35 O ATOM 31765 O2P C 01535 155.893 44.729 176.766 1.00737.35 O ATOM 31766 O5* C 01535 154.672 44.652 178.939 1.00737.35 O ATOM 31767 C5* C 01535 153.872 45.176 179.996 1.00737.35 C ATOM 31768 C4* C 01535 153.745 44.166 181.113 1.00737.35 C ATOM 31769 O4* C 01535 153.025 43.001 180.632 1.00737.35 O ATOM 31770 C3* C 01535 155.054 43.602 181.642 1.00737.35 C ATOM 31771 O3* C 01535 155.637 44.468 182.613 1.00737.35 O ATOM 31772 C2* C 01535 154.610 42.279 182.254 1.00737.35 C ATOM 31773 O2* C 01535 154.048 42.423 183.544 1.00737.35 O ATOM 31774 C1* C 01535 153.532 41.834 181.264 1.00737.35 C ATOM 31775 N1 C 01535 154.029 40.904 180.227 1.00737.35 N ATOM 31776 C2 C 01535 154.102 39.533 180.527 1.00737.35 C ATOM 31777 O2 C 01535 153.748 39.139 181.652 1.00737.35 O ATOM 31778 N3 C 01535 154.558 38.676 179.586 1.00737.35 N ATOM 31779 C4 C 01535 154.930 39.135 178.389 1.00737.35 C ATOM 31780 N4 C 01535 155.372 38.249 177.492 1.00737.35 N ATOM 31781 C5 C 01535 154.866 40.519 178.057 1.00737.35 C ATOM 31782 C6 C 01535 154.413 41.360 178.994 1.00737.35 C ATOM 31783 P G 01536 157.235 44.623 182.683 1.00737.35 P ATOM 31784 O1P G 01536 157.568 45.463 183.860 1.00737.35 O ATOM 31785 O2P G 01536 157.704 45.034 181.331 1.00737.35 O ATOM 31786 O5* G 01536 157.750 43.141 182.964 1.00737.35 O ATOM 31787 C5* G 01536 159.104 42.775 182.712 1.00737.35 C ATOM 31788 C4* G 01536 159.425 41.461 183.385 1.00737.35 C ATOM 31789 O4* G 01536 158.487 40.448 182.936 1.00737.35 O ATOM 31790 C3* G 01536 160.789 40.879 183.061 1.00737.35 C ATOM 31791 O3* G 01536 161.799 41.445 183.892 1.00737.35 O ATOM 31792 C2* G 01536 160.581 39.394 183.342 1.00737.35 C ATOM 31793 O2* G 01536 160.671 39.069 184.716 1.00737.35 O ATOM 31794 C1* G 01536 159.144 39.193 182.852 1.00737.35 C ATOM 31795 N9 G 01536 159.062 38.715 181.474 1.00737.35 N ATOM 31796 C8 G 01536 159.084 39.475 180.327 1.00737.35 C ATOM 31797 N7 G 01536 158.996 38.761 179.238 1.00737.35 N ATOM 31798 C5 G 01536 158.915 37.451 179.690 1.00737.35 C ATOM 31799 C6 G 01536 158.800 36.233 178.967 1.00737.35 C ATOM 31800 O6 G 01536 158.751 36.064 177.742 1.00737.35 O ATOM 31801 N1 G 01536 158.743 35.137 179.820 1.00737.35 N ATOM 31802 C2 G 01536 158.789 35.198 181.190 1.00737.35 C ATOM 31803 N2 G 01536 158.720 34.027 181.840 1.00737.35 N ATOM 31804 N3 G 01536 158.894 36.325 181.877 1.00737.35 N ATOM 31805 C4 G 01536 158.952 37.405 181.068 1.00737.35 C ATOM 31806 P U 01537 163.319 41.505 183.372 1.00737.35 P ATOM 31807 O1P U 01537 164.120 42.257 184.373 1.00737.35 O ATOM 31808 O2P U 01537 163.296 41.965 181.960 1.00737.35 O ATOM 31809 O5* U 01537 163.788 39.983 183.386 1.00737.35 O ATOM 31810 C5* U 01537 164.064 39.311 184.614 1.00737.35 C ATOM 31811 C4* U 01537 164.617 37.930 184.347 1.00737.35 C ATOM 31812 O4* U 01537 163.590 37.103 183.739 1.00737.35 O ATOM 31813 C3* U 01537 165.779 37.861 183.372 1.00737.35 C ATOM 31814 O3* U 01537 167.013 38.138 184.025 1.00737.35 O ATOM 31815 C2* U 01537 165.701 36.421 182.874 1.00737.35 C ATOM 31816 O2* U 01537 166.292 35.492 183.764 1.00737.35 O ATOM 31817 C1* U 01537 164.186 36.197 182.824 1.00737.35 C ATOM 31818 N1 U 01537 163.599 36.414 181.492 1.00737.35 N ATOM 31819 C2 U 01537 163.558 35.335 180.617 1.00737.35 C ATOM 31820 O2 U 01537 163.987 34.229 180.902 1.00737.35 O ATOM 31821 N3 U 01537 162.995 35.605 179.393 1.00737.35 N ATOM 31822 C4 U 01537 162.482 36.810 178.958 1.00737.35 C ATOM 31823 O4 U 01537 162.002 36.889 177.825 1.00737.35 O ATOM 31824 C5 U 01537 162.562 37.871 179.913 1.00737.35 C ATOM 31825 C6 U 01537 163.101 37.644 181.114 1.00737.35 C ATOM 31826 P A 01538 168.193 38.879 183.222 1.00737.35 P ATOM 31827 O1P A 01538 169.275 39.201 184.187 1.00737.35 O ATOM 31828 O2P A 01538 167.579 39.971 182.421 1.00737.35 O ATOM 31829 O5* A 01538 168.726 37.768 182.213 1.00737.35 O ATOM 31830 C5* A 01538 169.531 36.685 182.674 1.00737.35 C ATOM 31831 C4* A 01538 169.964 35.817 181.514 1.00737.35 C ATOM 31832 O4* A 01538 168.805 35.162 180.938 1.00737.35 O ATOM 31833 C3* A 01538 170.601 36.547 180.343 1.00737.35 C ATOM 31834 O3* A 01538 171.987 36.781 180.580 1.00737.35 O ATOM 31835 C2* A 01538 170.372 35.574 179.193 1.00737.35 C ATOM 31836 O2* A 01538 171.320 34.526 179.153 1.00737.35 O ATOM 31837 C1* A 01538 168.991 35.010 179.540 1.00737.35 C ATOM 31838 N9 A 01538 167.889 35.682 178.849 1.00737.35 N ATOM 31839 C8 A 01538 167.285 36.876 179.173 1.00737.35 C ATOM 31840 N7 A 01538 166.319 37.218 178.354 1.00737.35 N ATOM 31841 C5 A 01538 166.280 36.182 177.431 1.00737.35 C ATOM 31842 C6 A 01538 165.471 35.946 176.305 1.00737.35 C ATOM 31843 N6 A 01538 164.506 36.773 175.900 1.00737.35 N ATOM 31844 N1 A 01538 165.692 34.816 175.598 1.00737.35 N ATOM 31845 C2 A 01538 166.662 33.985 176.004 1.00737.35 C ATOM 31846 N3 A 01538 167.486 34.097 177.042 1.00737.35 N ATOM 31847 C4 A 01538 167.242 35.230 177.724 1.00737.35 C ATOM 31848 P U 01539 172.676 38.126 180.031 1.00737.35 P ATOM 31849 O1P U 01539 174.091 38.139 180.482 1.00737.35 O ATOM 31850 O2P U 01539 171.787 39.264 180.380 1.00737.35 O ATOM 31851 O5* U 01539 172.654 37.952 178.447 1.00737.35 O ATOM 31852 C5* U 01539 173.449 36.955 177.809 1.00737.35 C ATOM 31853 C4* U 01539 173.144 36.903 176.328 1.00737.35 C ATOM 31854 O4* U 01539 171.765 36.498 176.136 1.00737.35 O ATOM 31855 C3* U 01539 173.259 38.221 175.578 1.00737.35 C ATOM 31856 O3* U 01539 174.609 38.478 175.202 1.00737.35 O ATOM 31857 C2* U 01539 172.356 37.985 174.374 1.00737.35 C ATOM 31858 O2* U 01539 172.983 37.242 173.347 1.00737.35 O ATOM 31859 C1* U 01539 171.229 37.157 174.996 1.00737.35 C ATOM 31860 N1 U 01539 170.071 37.964 175.418 1.00737.35 N ATOM 31861 C2 U 01539 169.072 38.205 174.482 1.00737.35 C ATOM 31862 O2 U 01539 169.113 37.780 173.338 1.00737.35 O ATOM 31863 N3 U 01539 168.023 38.965 174.939 1.00737.35 N ATOM 31864 C4 U 01539 167.869 39.499 176.203 1.00737.35 C ATOM 31865 O4 U 01539 166.864 40.165 176.457 1.00737.35 O ATOM 31866 C5 U 01539 168.936 39.206 177.107 1.00737.35 C ATOM 31867 C6 U 01539 169.971 38.470 176.698 1.00737.35 C ATOM 31868 P C 01540 175.055 39.968 174.789 1.00737.35 P ATOM 31869 O1P C 01540 176.540 40.025 174.810 1.00737.35 O ATOM 31870 O2P C 01540 174.275 40.927 175.615 1.00737.35 O ATOM 31871 O5* C 01540 174.568 40.110 173.280 1.00737.35 O ATOM 31872 C5* C 01540 175.176 39.342 172.243 1.00737.35 C ATOM 31873 C4* C 01540 174.516 39.628 170.913 1.00737.35 C ATOM 31874 O4* C 01540 173.133 39.191 170.955 1.00737.35 O ATOM 31875 C3* C 01540 174.429 41.093 170.510 1.00737.35 C ATOM 31876 O3* C 01540 175.646 41.524 169.903 1.00737.35 O ATOM 31877 C2* C 01540 173.275 41.085 169.517 1.00737.35 C ATOM 31878 O2* C 01540 173.658 40.674 168.218 1.00737.35 O ATOM 31879 C1* C 01540 172.344 40.038 170.131 1.00737.35 C ATOM 31880 N1 C 01540 171.244 40.609 170.939 1.00737.35 N ATOM 31881 C2 C 01540 170.092 41.071 170.281 1.00737.35 C ATOM 31882 O2 C 01540 170.028 40.990 169.042 1.00737.35 O ATOM 31883 N3 C 01540 169.078 41.590 171.010 1.00737.35 N ATOM 31884 C4 C 01540 169.177 41.656 172.339 1.00737.35 C ATOM 31885 N4 C 01540 168.144 42.165 173.017 1.00737.35 N ATOM 31886 C5 C 01540 170.336 41.201 173.034 1.00737.35 C ATOM 31887 C6 C 01540 171.334 40.691 172.303 1.00737.35 C ATOM 31888 P G 01541 176.103 43.061 170.034 1.00737.35 P ATOM 31889 O1P G 01541 177.405 43.219 169.337 1.00737.35 O ATOM 31890 O2P G 01541 175.988 43.447 171.464 1.00737.35 O ATOM 31891 O5* G 01541 174.997 43.867 169.216 1.00737.35 O ATOM 31892 C5* G 01541 174.754 43.585 167.841 1.00737.35 C ATOM 31893 C4* G 01541 173.502 44.289 167.371 1.00737.35 C ATOM 31894 O4* G 01541 172.375 43.838 168.168 1.00737.35 O ATOM 31895 C3* G 01541 173.503 45.801 167.535 1.00737.35 C ATOM 31896 O3* G 01541 174.124 46.430 166.416 1.00737.35 O ATOM 31897 C2* G 01541 172.015 46.120 167.609 1.00737.35 C ATOM 31898 O2* G 01541 171.394 46.172 166.340 1.00737.35 O ATOM 31899 C1* G 01541 171.485 44.919 168.395 1.00737.35 C ATOM 31900 N9 G 01541 171.399 45.154 169.837 1.00737.35 N ATOM 31901 C8 G 01541 172.229 44.656 170.814 1.00737.35 C ATOM 31902 N7 G 01541 171.894 45.041 172.016 1.00737.35 N ATOM 31903 C5 G 01541 170.779 45.844 171.822 1.00737.35 C ATOM 31904 C6 G 01541 169.979 46.544 172.762 1.00737.35 C ATOM 31905 O6 G 01541 170.098 46.594 173.993 1.00737.35 O ATOM 31906 N1 G 01541 168.948 47.237 172.136 1.00737.35 N ATOM 31907 C2 G 01541 168.714 47.255 170.784 1.00737.35 C ATOM 31908 N2 G 01541 167.667 47.985 170.374 1.00737.35 N ATOM 31909 N3 G 01541 169.451 46.607 169.900 1.00737.35 N ATOM 31910 C4 G 01541 170.460 45.925 170.484 1.00737.35 C ATOM 31911 P G 01542 174.981 47.773 166.630 1.00737.35 P ATOM 31912 O1P G 01542 175.394 48.278 165.296 1.00737.35 O ATOM 31913 O2P G 01542 176.014 47.486 167.658 1.00737.35 O ATOM 31914 O5* G 01542 173.937 48.800 167.258 1.00737.35 O ATOM 31915 C5* G 01542 172.819 49.267 166.505 1.00737.35 C ATOM 31916 C4* G 01542 171.926 50.122 167.372 1.00737.35 C ATOM 31917 O4* G 01542 171.371 49.307 168.438 1.00737.35 O ATOM 31918 C3* G 01542 172.621 51.265 168.091 1.00737.35 C ATOM 31919 O3* G 01542 172.713 52.416 167.258 1.00737.35 O ATOM 31920 C2* G 01542 171.707 51.502 169.286 1.00737.35 C ATOM 31921 O2* G 01542 170.571 52.284 168.969 1.00737.35 O ATOM 31922 C1* G 01542 171.275 50.074 169.626 1.00737.35 C ATOM 31923 N9 G 01542 172.104 49.444 170.650 1.00737.35 N ATOM 31924 C8 G 01542 173.291 48.775 170.462 1.00737.35 C ATOM 31925 N7 G 01542 173.805 48.317 171.573 1.00737.35 N ATOM 31926 C5 G 01542 172.903 48.706 172.553 1.00737.35 C ATOM 31927 C6 G 01542 172.925 48.494 173.956 1.00737.35 C ATOM 31928 O6 G 01542 173.773 47.901 174.634 1.00737.35 O ATOM 31929 N1 G 01542 171.814 49.055 174.575 1.00737.35 N ATOM 31930 C2 G 01542 170.809 49.735 173.931 1.00737.35 C ATOM 31931 N2 G 01542 169.821 50.202 174.708 1.00737.35 N ATOM 31932 N3 G 01542 170.778 49.940 172.625 1.00737.35 N ATOM 31933 C4 G 01542 171.847 49.403 172.003 1.00737.35 C ATOM 31934 P G 01543 174.157 53.015 166.876 1.00737.35 P ATOM 31935 O1P G 01543 174.540 52.485 165.542 1.00737.35 O ATOM 31936 O2P G 01543 175.063 52.806 168.035 1.00737.35 O ATOM 31937 O5* G 01543 173.899 54.580 166.740 1.00737.35 O ATOM 31938 C5* G 01543 172.956 55.096 165.800 1.00737.35 C ATOM 31939 C4* G 01543 172.252 56.299 166.379 1.00737.35 C ATOM 31940 O4* G 01543 171.461 55.882 167.523 1.00737.35 O ATOM 31941 C3* G 01543 173.168 57.387 166.919 1.00737.35 C ATOM 31942 O3* G 01543 173.560 58.284 165.884 1.00737.35 O ATOM 31943 C2* G 01543 172.287 58.067 167.962 1.00737.35 C ATOM 31944 O2* G 01543 171.382 58.998 167.403 1.00737.35 O ATOM 31945 C1* G 01543 171.518 56.876 168.533 1.00737.35 C ATOM 31946 N9 G 01543 172.140 56.288 169.719 1.00737.35 N ATOM 31947 C8 G 01543 173.117 55.321 169.750 1.00737.35 C ATOM 31948 N7 G 01543 173.473 54.992 170.962 1.00737.35 N ATOM 31949 C5 G 01543 172.691 55.791 171.782 1.00737.35 C ATOM 31950 C6 G 01543 172.635 55.880 173.197 1.00737.35 C ATOM 31951 O6 G 01543 173.290 55.249 174.037 1.00737.35 O ATOM 31952 N1 G 01543 171.700 56.821 173.614 1.00737.35 N ATOM 31953 C2 G 01543 170.917 57.579 172.778 1.00737.35 C ATOM 31954 N2 G 01543 170.073 58.433 173.375 1.00737.35 N ATOM 31955 N3 G 01543 170.958 57.509 171.458 1.00737.35 N ATOM 31956 C4 G 01543 171.861 56.600 171.031 1.00737.35 C ATOM 31957 P A 01544 175.108 58.693 165.729 1.00737.35 P ATOM 31958 O1P A 01544 175.199 59.791 164.731 1.00737.35 O ATOM 31959 O2P A 01544 175.881 57.444 165.512 1.00737.35 O ATOM 31960 O5* A 01544 175.506 59.278 167.157 1.00737.35 O ATOM 31961 C5* A 01544 174.872 60.446 167.672 1.00737.35 C ATOM 31962 C4* A 01544 175.122 60.564 169.159 1.00737.35 C ATOM 31963 O4* A 01544 174.545 59.412 169.832 1.00737.35 O ATOM 31964 C3* A 01544 176.581 60.560 169.588 1.00737.35 C ATOM 31965 O3* A 01544 177.152 61.862 169.494 1.00737.35 O ATOM 31966 C2* A 01544 176.486 60.076 171.032 1.00737.35 C ATOM 31967 O2* A 01544 176.108 61.095 171.936 1.00737.35 O ATOM 31968 C1* A 01544 175.369 59.036 170.926 1.00737.35 C ATOM 31969 N9 A 01544 175.870 57.681 170.684 1.00737.35 N ATOM 31970 C8 A 01544 176.136 57.079 169.476 1.00737.35 C ATOM 31971 N7 A 01544 176.584 55.852 169.583 1.00737.35 N ATOM 31972 C5 A 01544 176.611 55.627 170.952 1.00737.35 C ATOM 31973 C6 A 01544 176.994 54.511 171.719 1.00737.35 C ATOM 31974 N6 A 01544 177.437 53.368 171.194 1.00737.35 N ATOM 31975 N1 A 01544 176.903 54.612 173.064 1.00737.35 N ATOM 31976 C2 A 01544 176.460 55.761 173.591 1.00737.35 C ATOM 31977 N3 A 01544 176.073 56.877 172.976 1.00737.35 N ATOM 31978 C4 A 01544 176.174 56.744 171.643 1.00737.35 C ATOM 31979 P G 01545 178.749 62.029 169.424 1.00737.35 P ATOM 31980 O1P G 01545 179.051 63.450 169.114 1.00737.35 O ATOM 31981 O2P G 01545 179.282 60.959 168.540 1.00737.35 O ATOM 31982 O5* G 01545 179.234 61.726 170.913 1.00737.35 O ATOM 31983 C5* G 01545 178.845 62.570 171.992 1.00737.35 C ATOM 31984 C4* G 01545 179.245 61.957 173.316 1.00737.35 C ATOM 31985 O4* G 01545 178.554 60.692 173.489 1.00737.35 O ATOM 31986 C3* G 01545 180.713 61.604 173.476 1.00737.35 C ATOM 31987 O3* G 01545 181.473 62.744 173.869 1.00737.35 O ATOM 31988 C2* G 01545 180.673 60.542 174.570 1.00737.35 C ATOM 31989 O2* G 01545 180.574 61.086 175.870 1.00737.35 O ATOM 31990 C1* G 01545 179.379 59.798 174.220 1.00737.35 C ATOM 31991 N9 G 01545 179.598 58.597 173.416 1.00737.35 N ATOM 31992 C8 G 01545 179.676 58.514 172.046 1.00737.35 C ATOM 31993 N7 G 01545 179.883 57.298 171.618 1.00737.35 N ATOM 31994 C5 G 01545 179.944 56.532 172.774 1.00737.35 C ATOM 31995 C6 G 01545 180.148 55.136 172.943 1.00737.35 C ATOM 31996 O6 G 01545 180.324 54.271 172.075 1.00737.35 O ATOM 31997 N1 G 01545 180.137 54.780 174.285 1.00737.35 N ATOM 31998 C2 G 01545 179.953 55.646 175.336 1.00737.35 C ATOM 31999 N2 G 01545 179.974 55.106 176.562 1.00737.35 N ATOM 32000 N3 G 01545 179.760 56.947 175.191 1.00737.35 N ATOM 32001 C4 G 01545 179.767 57.317 173.891 1.00737.35 C ATOM 32002 P C 01546 183.057 62.778 173.606 1.00737.35 P ATOM 32003 O1P C 01546 183.546 64.149 173.908 1.00737.35 O ATOM 32004 O2P C 01546 183.312 62.190 172.266 1.00737.35 O ATOM 32005 O5* C 01546 183.651 61.780 174.700 1.00737.35 O ATOM 32006 C5* C 01546 183.628 62.117 176.088 1.00737.35 C ATOM 32007 C4* C 01546 184.215 60.994 176.912 1.00737.35 C ATOM 32008 O4* C 01546 183.375 59.816 176.794 1.00737.35 O ATOM 32009 C3* C 01546 185.596 60.516 176.491 1.00737.35 C ATOM 32010 O3* C 01546 186.617 61.336 177.052 1.00737.35 O ATOM 32011 C2* C 01546 185.629 59.097 177.047 1.00737.35 C ATOM 32012 O2* C 01546 185.936 59.048 178.427 1.00737.35 O ATOM 32013 C1* C 01546 184.181 58.649 176.821 1.00737.35 C ATOM 32014 N1 C 01546 183.983 57.904 175.559 1.00737.35 N ATOM 32015 C2 C 01546 184.178 56.513 175.553 1.00737.35 C ATOM 32016 O2 C 01546 184.514 55.941 176.605 1.00737.35 O ATOM 32017 N3 C 01546 183.997 55.827 174.401 1.00737.35 N ATOM 32018 C4 C 01546 183.638 56.471 173.288 1.00737.35 C ATOM 32019 N4 C 01546 183.472 55.753 172.176 1.00737.35 N ATOM 32020 C5 C 01546 183.435 57.882 173.265 1.00737.35 C ATOM 32021 C6 C 01546 183.616 58.552 174.411 1.00737.35 C ATOM 32022 P U 01547 188.020 61.501 176.286 1.00737.35 P ATOM 32023 O1P U 01547 188.810 62.548 176.988 1.00737.35 O ATOM 32024 O2P U 01547 187.733 61.651 174.835 1.00737.35 O ATOM 32025 O5* U 01547 188.742 60.096 176.501 1.00737.35 O ATOM 32026 C5* U 01547 189.240 59.716 177.784 1.00737.35 C ATOM 32027 C4* U 01547 189.889 58.354 177.714 1.00737.35 C ATOM 32028 O4* U 01547 188.891 57.355 177.380 1.00737.35 O ATOM 32029 C3* U 01547 190.963 58.186 176.648 1.00737.35 C ATOM 32030 O3* U 01547 192.222 58.661 177.111 1.00737.35 O ATOM 32031 C2* U 01547 190.963 56.677 176.426 1.00737.35 C ATOM 32032 O2* U 01547 191.705 55.972 177.401 1.00737.35 O ATOM 32033 C1* U 01547 189.474 56.347 176.570 1.00737.35 C ATOM 32034 N1 U 01547 188.751 56.295 175.287 1.00737.35 N ATOM 32035 C2 U 01547 188.723 55.085 174.606 1.00737.35 C ATOM 32036 O2 U 01547 189.264 54.071 175.021 1.00737.35 O ATOM 32037 N3 U 01547 188.035 55.106 173.419 1.00737.35 N ATOM 32038 C4 U 01547 187.385 56.181 172.850 1.00737.35 C ATOM 32039 O4 U 01547 186.808 56.038 171.772 1.00737.35 O ATOM 32040 C5 U 01547 187.460 57.392 173.608 1.00737.35 C ATOM 32041 C6 U 01547 188.124 57.408 174.768 1.00737.35 C ATOM 32042 P U 01548 193.311 59.200 176.056 1.00737.35 P ATOM 32043 O1P U 01548 194.404 59.856 176.817 1.00737.35 O ATOM 32044 O2P U 01548 192.589 59.962 175.006 1.00737.35 O ATOM 32045 O5* U 01548 193.888 57.872 175.389 1.00737.35 O ATOM 32046 C5* U 01548 194.743 56.994 176.119 1.00737.35 C ATOM 32047 C4* U 01548 195.084 55.777 175.290 1.00737.35 C ATOM 32048 O4* U 01548 193.874 55.019 175.031 1.00737.35 O ATOM 32049 C3* U 01548 195.658 56.057 173.910 1.00737.35 C ATOM 32050 O3* U 01548 197.063 56.280 173.978 1.00737.35 O ATOM 32051 C2* U 01548 195.317 54.780 173.153 1.00737.35 C ATOM 32052 O2* U 01548 196.220 53.721 173.410 1.00737.35 O ATOM 32053 C1* U 01548 193.941 54.438 173.737 1.00737.35 C ATOM 32054 N1 U 01548 192.815 54.945 172.935 1.00737.35 N ATOM 32055 C2 U 01548 192.298 54.115 171.947 1.00737.35 C ATOM 32056 O2 U 01548 192.731 52.998 171.718 1.00737.35 O ATOM 32057 N3 U 01548 191.252 54.648 171.235 1.00737.35 N ATOM 32058 C4 U 01548 190.680 55.894 171.399 1.00737.35 C ATOM 32059 O4 U 01548 189.742 56.230 170.674 1.00737.35 O ATOM 32060 C5 U 01548 191.265 56.687 172.435 1.00737.35 C ATOM 32061 C6 U 01548 192.285 56.200 173.148 1.00737.35 C ATOM 32062 P C 01549 197.759 57.311 172.956 1.00737.35 P ATOM 32063 O1P C 01549 199.092 57.671 173.507 1.00737.35 O ATOM 32064 O2P C 01549 196.780 58.386 172.652 1.00737.35 O ATOM 32065 O5* C 01549 197.973 56.453 171.628 1.00737.35 O ATOM 32066 C5* C 01549 199.132 55.642 171.454 1.00737.35 C ATOM 32067 C4* C 01549 199.167 55.065 170.056 1.00737.35 C ATOM 32068 O4* C 01549 198.059 54.146 169.884 1.00737.35 O ATOM 32069 C3* C 01549 199.012 56.069 168.923 1.00737.35 C ATOM 32070 O3* C 01549 200.263 56.666 168.596 1.00737.35 O ATOM 32071 C2* C 01549 198.480 55.198 167.790 1.00737.35 C ATOM 32072 O2* C 01549 199.495 54.480 167.117 1.00737.35 O ATOM 32073 C1* C 01549 197.576 54.224 168.552 1.00737.35 C ATOM 32074 N1 C 01549 196.155 54.629 168.586 1.00737.35 N ATOM 32075 C2 C 01549 195.306 54.226 167.543 1.00737.35 C ATOM 32076 O2 C 01549 195.767 53.542 166.610 1.00737.35 O ATOM 32077 N3 C 01549 194.002 54.589 167.576 1.00737.35 N ATOM 32078 C4 C 01549 193.539 55.325 168.587 1.00737.35 C ATOM 32079 N4 C 01549 192.248 55.661 168.576 1.00737.35 N ATOM 32080 C5 C 01549 194.379 55.751 169.659 1.00737.35 C ATOM 32081 C6 C 01549 195.666 55.383 169.619 1.00737.35 C ATOM 32082 P C 01550 200.318 58.203 168.123 1.00737.35 P ATOM 32083 O1P C 01550 201.741 58.571 167.914 1.00737.35 O ATOM 32084 O2P C 01550 199.488 58.995 169.068 1.00737.35 O ATOM 32085 O5* C 01550 199.584 58.200 166.710 1.00737.35 O ATOM 32086 C5* C 01550 200.165 57.539 165.584 1.00737.35 C ATOM 32087 C4* C 01550 199.156 57.430 164.462 1.00737.35 C ATOM 32088 O4* C 01550 198.028 56.632 164.915 1.00737.35 O ATOM 32089 C3* C 01550 198.527 58.737 164.004 1.00737.35 C ATOM 32090 O3* C 01550 199.343 59.411 163.049 1.00737.35 O ATOM 32091 C2* C 01550 197.215 58.263 163.392 1.00737.35 C ATOM 32092 O2* C 01550 197.361 57.751 162.082 1.00737.35 O ATOM 32093 C1* C 01550 196.826 57.136 164.352 1.00737.35 C ATOM 32094 N1 C 01550 195.938 57.588 165.444 1.00737.35 N ATOM 32095 C2 C 01550 194.553 57.652 165.212 1.00737.35 C ATOM 32096 O2 C 01550 194.109 57.319 164.101 1.00737.35 O ATOM 32097 N3 C 01550 193.737 58.075 166.204 1.00737.35 N ATOM 32098 C4 C 01550 194.249 58.425 167.389 1.00737.35 C ATOM 32099 N4 C 01550 193.405 58.836 168.336 1.00737.35 N ATOM 32100 C5 C 01550 195.647 58.367 167.652 1.00737.35 C ATOM 32101 C6 C 01550 196.447 57.947 166.662 1.00737.35 C ATOM 32102 P U 01551 199.160 60.993 162.825 1.00737.35 P ATOM 32103 O1P U 01551 199.907 61.379 161.601 1.00737.35 O ATOM 32104 O2P U 01551 199.469 61.664 164.114 1.00737.35 O ATOM 32105 O5* U 01551 197.601 61.153 162.531 1.00737.35 O ATOM 32106 C5* U 01551 196.920 62.379 162.787 1.00737.35 C ATOM 32107 C4* U 01551 195.734 62.129 163.689 1.00737.35 C ATOM 32108 O4* U 01551 196.206 61.596 164.955 1.00737.35 O ATOM 32109 C3* U 01551 194.923 63.358 164.073 1.00737.35 C ATOM 32110 O3* U 01551 193.947 63.633 163.073 1.00737.35 O ATOM 32111 C2* U 01551 194.280 62.925 165.385 1.00737.35 C ATOM 32112 O2* U 01551 193.132 62.118 165.203 1.00737.35 O ATOM 32113 C1* U 01551 195.401 62.091 166.013 1.00737.35 C ATOM 32114 N1 U 01551 196.257 62.853 166.941 1.00737.35 N ATOM 32115 C2 U 01551 195.873 62.914 168.276 1.00737.35 C ATOM 32116 O2 U 01551 194.870 62.366 168.708 1.00737.35 O ATOM 32117 N3 U 01551 196.712 63.639 169.085 1.00737.35 N ATOM 32118 C4 U 01551 197.866 64.296 168.713 1.00737.35 C ATOM 32119 O4 U 01551 198.515 64.910 169.563 1.00737.35 O ATOM 32120 C5 U 01551 198.193 64.190 167.324 1.00737.35 C ATOM 32121 C6 U 01551 197.400 63.492 166.507 1.00737.35 C ATOM 32122 P C 01552 193.231 65.073 163.026 1.00737.35 P ATOM 32123 O1P C 01552 194.273 66.107 162.791 1.00737.35 O ATOM 32124 O2P C 01552 192.353 65.175 164.220 1.00737.35 O ATOM 32125 O5* C 01552 192.301 64.999 161.735 1.00737.35 O ATOM 32126 C5* C 01552 191.550 63.824 161.438 1.00737.35 C ATOM 32127 C4* C 01552 191.274 63.737 159.956 1.00737.35 C ATOM 32128 O4* C 01552 192.525 63.861 159.227 1.00737.35 O ATOM 32129 C3* C 01552 190.688 62.417 159.479 1.00737.35 C ATOM 32130 O3* C 01552 189.271 62.397 159.626 1.00737.35 O ATOM 32131 C2* C 01552 191.104 62.388 158.013 1.00737.35 C ATOM 32132 O2* C 01552 190.262 63.159 157.180 1.00737.35 O ATOM 32133 C1* C 01552 192.495 63.026 158.079 1.00737.35 C ATOM 32134 N1 C 01552 193.593 62.042 158.179 1.00737.35 N ATOM 32135 C2 C 01552 194.137 61.511 156.999 1.00737.35 C ATOM 32136 O2 C 01552 193.689 61.881 155.901 1.00737.35 O ATOM 32137 N3 C 01552 195.142 60.607 157.084 1.00737.35 N ATOM 32138 C4 C 01552 195.603 60.229 158.279 1.00737.35 C ATOM 32139 N4 C 01552 196.594 59.338 158.313 1.00737.35 N ATOM 32140 C5 C 01552 195.067 60.754 159.493 1.00737.35 C ATOM 32141 C6 C 01552 194.075 61.646 159.398 1.00737.35 C ATOM 32142 P G 01553 188.541 61.060 160.145 1.00737.35 P ATOM 32143 O1P G 01553 187.076 61.252 160.012 1.00737.35 O ATOM 32144 O2P G 01553 189.118 60.723 161.472 1.00737.35 O ATOM 32145 O5* G 01553 189.001 59.937 159.111 1.00737.35 O ATOM 32146 C5* G 01553 188.630 60.011 157.734 1.00737.35 C ATOM 32147 C4* G 01553 189.136 58.796 156.989 1.00737.35 C ATOM 32148 O4* G 01553 190.586 58.765 157.050 1.00737.35 O ATOM 32149 C3* G 01553 188.706 57.451 157.553 1.00737.35 C ATOM 32150 O3* G 01553 187.421 57.075 157.067 1.00737.35 O ATOM 32151 C2* G 01553 189.798 56.522 157.036 1.00737.35 C ATOM 32152 O2* G 01553 189.597 56.120 155.696 1.00737.35 O ATOM 32153 C1* G 01553 191.034 57.420 157.131 1.00737.35 C ATOM 32154 N9 G 01553 191.777 57.252 158.376 1.00737.35 N ATOM 32155 C8 G 01553 191.602 57.945 159.552 1.00737.35 C ATOM 32156 N7 G 01553 192.420 57.566 160.496 1.00737.35 N ATOM 32157 C5 G 01553 193.182 56.565 159.913 1.00737.35 C ATOM 32158 C6 G 01553 194.234 55.779 160.450 1.00737.35 C ATOM 32159 O6 G 01553 194.717 55.810 161.589 1.00737.35 O ATOM 32160 N1 G 01553 194.731 54.879 159.515 1.00737.35 N ATOM 32161 C2 G 01553 194.275 54.748 158.225 1.00737.35 C ATOM 32162 N2 G 01553 194.886 53.820 157.473 1.00737.35 N ATOM 32163 N3 G 01553 193.298 55.475 157.710 1.00737.35 N ATOM 32164 C4 G 01553 192.798 56.357 158.604 1.00737.35 C ATOM 32165 P G 01554 186.422 56.241 158.015 1.00737.35 P ATOM 32166 O1P G 01554 185.247 55.833 157.205 1.00737.35 O ATOM 32167 O2P G 01554 186.219 57.034 159.255 1.00737.35 O ATOM 32168 O5* G 01554 187.251 54.931 158.388 1.00737.35 O ATOM 32169 C5* G 01554 186.828 54.071 159.442 1.00737.35 C ATOM 32170 C4* G 01554 187.924 53.092 159.788 1.00737.35 C ATOM 32171 O4* G 01554 189.143 53.823 160.087 1.00737.35 O ATOM 32172 C3* G 01554 187.676 52.246 161.027 1.00737.35 C ATOM 32173 O3* G 01554 186.902 51.092 160.714 1.00737.35 O ATOM 32174 C2* G 01554 189.090 51.887 161.465 1.00737.35 C ATOM 32175 O2* G 01554 189.646 50.815 160.731 1.00737.35 O ATOM 32176 C1* G 01554 189.841 53.184 161.143 1.00737.35 C ATOM 32177 N9 G 01554 189.914 54.110 162.272 1.00737.35 N ATOM 32178 C8 G 01554 188.941 54.992 162.684 1.00737.35 C ATOM 32179 N7 G 01554 189.294 55.690 163.728 1.00737.35 N ATOM 32180 C5 G 01554 190.575 55.244 164.024 1.00737.35 C ATOM 32181 C6 G 01554 191.467 55.639 165.053 1.00737.35 C ATOM 32182 O6 G 01554 191.298 56.487 165.939 1.00737.35 O ATOM 32183 N1 G 01554 192.663 54.931 164.992 1.00737.35 N ATOM 32184 C2 G 01554 192.966 53.970 164.060 1.00737.35 C ATOM 32185 N2 G 01554 194.176 53.400 164.168 1.00737.35 N ATOM 32186 N3 G 01554 192.142 53.593 163.093 1.00737.35 N ATOM 32187 C4 G 01554 190.973 54.268 163.137 1.00737.35 C ATOM 32188 P A 01555 185.953 50.438 161.835 1.00737.35 P ATOM 32189 O1P A 01555 185.195 49.325 161.208 1.00737.35 O ATOM 32190 O2P A 01555 185.215 51.541 162.503 1.00737.35 O ATOM 32191 O5* A 01555 186.972 49.818 162.893 1.00737.35 O ATOM 32192 C5* A 01555 187.783 48.694 162.556 1.00737.35 C ATOM 32193 C4* A 01555 188.636 48.286 163.737 1.00737.35 C ATOM 32194 O4* A 01555 189.561 49.360 164.057 1.00737.35 O ATOM 32195 C3* A 01555 187.892 48.032 165.039 1.00737.35 C ATOM 32196 O3* A 01555 187.372 46.707 165.083 1.00737.35 O ATOM 32197 C2* A 01555 188.982 48.252 166.082 1.00737.35 C ATOM 32198 O2* A 01555 189.830 47.136 166.245 1.00737.35 O ATOM 32199 C1* A 01555 189.764 49.413 165.460 1.00737.35 C ATOM 32200 N9 A 01555 189.332 50.728 165.940 1.00737.35 N ATOM 32201 C8 A 01555 188.314 51.514 165.458 1.00737.35 C ATOM 32202 N7 A 01555 188.168 52.647 166.100 1.00737.35 N ATOM 32203 C5 A 01555 189.157 52.606 167.075 1.00737.35 C ATOM 32204 C6 A 01555 189.528 53.512 168.086 1.00737.35 C ATOM 32205 N6 A 01555 188.918 54.682 168.290 1.00737.35 N ATOM 32206 N1 A 01555 190.556 53.167 168.890 1.00737.35 N ATOM 32207 C2 A 01555 191.164 51.992 168.684 1.00737.35 C ATOM 32208 N3 A 01555 190.908 51.058 167.770 1.00737.35 N ATOM 32209 C4 A 01555 189.881 51.430 166.986 1.00737.35 C ATOM 32210 P A 01556 186.080 46.384 165.984 1.00737.35 P ATOM 32211 O1P A 01556 185.653 44.989 165.697 1.00737.35 O ATOM 32212 O2P A 01556 185.110 47.497 165.803 1.00737.35 O ATOM 32213 O5* A 01556 186.627 46.446 167.478 1.00737.35 O ATOM 32214 C5* A 01556 187.506 45.440 167.980 1.00737.35 C ATOM 32215 C4* A 01556 187.910 45.753 169.402 1.00737.35 C ATOM 32216 O4* A 01556 188.679 46.984 169.427 1.00737.35 O ATOM 32217 C3* A 01556 186.772 46.001 170.382 1.00737.35 C ATOM 32218 O3* A 01556 186.259 44.775 170.892 1.00737.35 O ATOM 32219 C2* A 01556 187.453 46.833 171.461 1.00737.35 C ATOM 32220 O2* A 01556 188.190 46.052 172.383 1.00737.35 O ATOM 32221 C1* A 01556 188.410 47.690 170.627 1.00737.35 C ATOM 32222 N9 A 01556 187.865 49.005 170.281 1.00737.35 N ATOM 32223 C8 A 01556 187.072 49.338 169.207 1.00737.35 C ATOM 32224 N7 A 01556 186.741 50.606 169.170 1.00737.35 N ATOM 32225 C5 A 01556 187.355 51.145 170.291 1.00737.35 C ATOM 32226 C6 A 01556 187.386 52.449 170.816 1.00737.35 C ATOM 32227 N6 A 01556 186.764 53.489 170.256 1.00737.35 N ATOM 32228 N1 A 01556 188.089 52.650 171.952 1.00737.35 N ATOM 32229 C2 A 01556 188.713 51.608 172.513 1.00737.35 C ATOM 32230 N3 A 01556 188.757 50.339 172.115 1.00737.35 N ATOM 32231 C4 A 01556 188.049 50.171 170.985 1.00737.35 C ATOM 32232 P G 01557 184.744 44.704 171.431 1.00737.35 P ATOM 32233 O1P G 01557 184.405 43.279 171.671 1.00737.35 O ATOM 32234 O2P G 01557 183.899 45.513 170.516 1.00737.35 O ATOM 32235 O5* G 01557 184.802 45.454 172.836 1.00737.35 O ATOM 32236 C5* G 01557 185.470 44.867 173.953 1.00737.35 C ATOM 32237 C4* G 01557 185.457 45.812 175.133 1.00737.35 C ATOM 32238 O4* G 01557 186.212 47.006 174.804 1.00737.35 O ATOM 32239 C3* G 01557 184.091 46.333 175.553 1.00737.35 C ATOM 32240 O3* G 01557 183.430 45.406 176.410 1.00737.35 O ATOM 32241 C2* G 01557 184.451 47.626 176.277 1.00737.35 C ATOM 32242 O2* G 01557 184.877 47.420 177.609 1.00737.35 O ATOM 32243 C1* G 01557 185.624 48.133 175.429 1.00737.35 C ATOM 32244 N9 G 01557 185.226 49.087 174.397 1.00737.35 N ATOM 32245 C8 G 01557 184.804 48.803 173.119 1.00737.35 C ATOM 32246 N7 G 01557 184.517 49.869 172.425 1.00737.35 N ATOM 32247 C5 G 01557 184.763 50.924 173.296 1.00737.35 C ATOM 32248 C6 G 01557 184.630 52.324 173.103 1.00737.35 C ATOM 32249 O6 G 01557 184.256 52.932 172.093 1.00737.35 O ATOM 32250 N1 G 01557 184.985 53.033 174.246 1.00737.35 N ATOM 32251 C2 G 01557 185.412 52.468 175.422 1.00737.35 C ATOM 32252 N2 G 01557 185.709 53.324 176.413 1.00737.35 N ATOM 32253 N3 G 01557 185.541 51.166 175.616 1.00737.35 N ATOM 32254 C4 G 01557 185.202 50.458 174.517 1.00737.35 C ATOM 32255 P C 01558 181.825 45.424 176.521 1.00737.35 P ATOM 32256 O1P C 01558 181.406 44.261 177.344 1.00737.35 O ATOM 32257 O2P C 01558 181.278 45.585 175.149 1.00737.35 O ATOM 32258 O5* C 01558 181.510 46.757 177.336 1.00737.35 O ATOM 32259 C5* C 01558 181.929 46.904 178.693 1.00737.35 C ATOM 32260 C4* C 01558 181.747 48.332 179.151 1.00737.35 C ATOM 32261 O4* C 01558 182.570 49.205 178.333 1.00737.35 O ATOM 32262 C3* C 01558 180.344 48.900 179.006 1.00737.35 C ATOM 32263 O3* C 01558 179.533 48.555 180.125 1.00737.35 O ATOM 32264 C2* C 01558 180.607 50.401 178.953 1.00737.35 C ATOM 32265 O2* C 01558 180.795 50.978 180.230 1.00737.35 O ATOM 32266 C1* C 01558 181.918 50.455 178.165 1.00737.35 C ATOM 32267 N1 C 01558 181.732 50.707 176.721 1.00737.35 N ATOM 32268 C2 C 01558 181.705 52.033 176.262 1.00737.35 C ATOM 32269 O2 C 01558 181.844 52.962 177.080 1.00737.35 O ATOM 32270 N3 C 01558 181.528 52.273 174.944 1.00737.35 N ATOM 32271 C4 C 01558 181.380 51.255 174.093 1.00737.35 C ATOM 32272 N4 C 01558 181.204 51.544 172.801 1.00737.35 N ATOM 32273 C5 C 01558 181.403 49.899 174.528 1.00737.35 C ATOM 32274 C6 C 01558 181.578 49.671 175.837 1.00737.35 C ATOM 32275 P G 01559 178.027 48.037 179.891 1.00737.35 P ATOM 32276 O1P G 01559 177.320 48.060 181.199 1.00737.35 O ATOM 32277 O2P G 01559 178.108 46.766 179.127 1.00737.35 O ATOM 32278 O5* G 01559 177.370 49.140 178.946 1.00737.35 O ATOM 32279 C5* G 01559 177.228 50.492 179.378 1.00737.35 C ATOM 32280 C4* G 01559 176.719 51.352 178.245 1.00737.35 C ATOM 32281 O4* G 01559 177.686 51.330 177.161 1.00737.35 O ATOM 32282 C3* G 01559 175.420 50.890 177.604 1.00737.35 C ATOM 32283 O3* G 01559 174.292 51.391 178.312 1.00737.35 O ATOM 32284 C2* G 01559 175.514 51.494 176.208 1.00737.35 C ATOM 32285 O2* G 01559 175.149 52.859 176.167 1.00737.35 O ATOM 32286 C1* G 01559 177.008 51.347 175.913 1.00737.35 C ATOM 32287 N9 G 01559 177.340 50.124 175.186 1.00737.35 N ATOM 32288 C8 G 01559 177.942 48.993 175.689 1.00737.35 C ATOM 32289 N7 G 01559 178.110 48.059 174.793 1.00737.35 N ATOM 32290 C5 G 01559 177.587 48.603 173.627 1.00737.35 C ATOM 32291 C6 G 01559 177.487 48.054 172.322 1.00737.35 C ATOM 32292 O6 G 01559 177.855 46.943 171.923 1.00737.35 O ATOM 32293 N1 G 01559 176.888 48.946 171.438 1.00737.35 N ATOM 32294 C2 G 01559 176.442 50.202 171.763 1.00737.35 C ATOM 32295 N2 G 01559 175.888 50.910 170.767 1.00737.35 N ATOM 32296 N3 G 01559 176.530 50.725 172.976 1.00737.35 N ATOM 32297 C4 G 01559 177.108 49.876 173.851 1.00737.35 C ATOM 32298 P A 01560 173.014 50.445 178.556 1.00737.35 P ATOM 32299 O1P A 01560 173.281 49.598 179.747 1.00737.35 O ATOM 32300 O2P A 01560 172.677 49.800 177.260 1.00737.35 O ATOM 32301 O5* A 01560 171.844 51.463 178.913 1.00737.35 O ATOM 32302 C5* A 01560 171.936 52.317 180.051 1.00737.35 C ATOM 32303 C4* A 01560 171.034 53.517 179.876 1.00737.35 C ATOM 32304 O4* A 01560 171.487 54.291 178.734 1.00737.35 O ATOM 32305 C3* A 01560 169.577 53.207 179.572 1.00737.35 C ATOM 32306 O3* A 01560 168.843 52.977 180.772 1.00737.35 O ATOM 32307 C2* A 01560 169.120 54.472 178.856 1.00737.35 C ATOM 32308 O2* A 01560 168.806 55.531 179.741 1.00737.35 O ATOM 32309 C1* A 01560 170.368 54.828 178.045 1.00737.35 C ATOM 32310 N9 A 01560 170.356 54.287 176.683 1.00737.35 N ATOM 32311 C8 A 01560 171.059 53.214 176.190 1.00737.35 C ATOM 32312 N7 A 01560 170.839 52.973 174.921 1.00737.35 N ATOM 32313 C5 A 01560 169.928 53.953 174.550 1.00737.35 C ATOM 32314 C6 A 01560 169.296 54.240 173.328 1.00737.35 C ATOM 32315 N6 A 01560 169.493 53.542 172.208 1.00737.35 N ATOM 32316 N1 A 01560 168.441 55.286 173.295 1.00737.35 N ATOM 32317 C2 A 01560 168.243 55.987 174.419 1.00737.35 C ATOM 32318 N3 A 01560 168.775 55.814 175.625 1.00737.35 N ATOM 32319 C4 A 01560 169.622 54.770 175.625 1.00737.35 C ATOM 32320 P A 01561 167.567 51.998 180.752 1.00737.35 P ATOM 32321 O1P A 01561 167.012 51.931 182.129 1.00737.35 O ATOM 32322 O2P A 01561 167.973 50.744 180.067 1.00737.35 O ATOM 32323 O5* A 01561 166.515 52.750 179.821 1.00737.35 O ATOM 32324 C5* A 01561 165.999 54.030 180.183 1.00737.35 C ATOM 32325 C4* A 01561 165.239 54.636 179.027 1.00737.35 C ATOM 32326 O4* A 01561 166.141 54.805 177.901 1.00737.35 O ATOM 32327 C3* A 01561 164.099 53.795 178.471 1.00737.35 C ATOM 32328 O3* A 01561 162.902 53.996 179.218 1.00737.35 O ATOM 32329 C2* A 01561 163.974 54.324 177.048 1.00737.35 C ATOM 32330 O2* A 01561 163.250 55.537 176.967 1.00737.35 O ATOM 32331 C1* A 01561 165.440 54.573 176.687 1.00737.35 C ATOM 32332 N9 A 01561 166.067 53.443 175.998 1.00737.35 N ATOM 32333 C8 A 01561 166.758 52.389 176.547 1.00737.35 C ATOM 32334 N7 A 01561 167.203 51.530 175.663 1.00737.35 N ATOM 32335 C5 A 01561 166.777 52.050 174.449 1.00737.35 C ATOM 32336 C6 A 01561 166.931 51.607 173.123 1.00737.35 C ATOM 32337 N6 A 01561 167.579 50.490 172.785 1.00737.35 N ATOM 32338 N1 A 01561 166.385 52.359 172.142 1.00737.35 N ATOM 32339 C2 A 01561 165.734 53.478 172.481 1.00737.35 C ATOM 32340 N3 A 01561 165.524 54.000 173.686 1.00737.35 N ATOM 32341 C4 A 01561 166.077 53.229 174.640 1.00737.35 C ATOM 32342 P G 01562 161.841 52.796 179.368 1.00737.35 P ATOM 32343 O1P G 01562 160.676 53.303 180.138 1.00737.35 O ATOM 32344 O2P G 01562 162.578 51.603 179.855 1.00737.35 O ATOM 32345 O5* G 01562 161.367 52.509 177.875 1.00737.35 O ATOM 32346 C5* G 01562 160.733 53.523 177.098 1.00737.35 C ATOM 32347 C4* G 01562 160.641 53.095 175.650 1.00737.35 C ATOM 32348 O4* G 01562 161.981 52.869 175.134 1.00737.35 O ATOM 32349 C3* G 01562 159.913 51.786 175.390 1.00737.35 C ATOM 32350 O3* G 01562 158.507 52.001 175.305 1.00737.35 O ATOM 32351 C2* G 01562 160.507 51.342 174.058 1.00737.35 C ATOM 32352 O2* G 01562 159.927 51.996 172.945 1.00737.35 O ATOM 32353 C1* G 01562 161.965 51.786 174.218 1.00737.35 C ATOM 32354 N9 G 01562 162.839 50.733 174.731 1.00737.35 N ATOM 32355 C8 G 01562 163.011 50.359 176.042 1.00737.35 C ATOM 32356 N7 G 01562 163.862 49.381 176.188 1.00737.35 N ATOM 32357 C5 G 01562 164.277 49.088 174.898 1.00737.35 C ATOM 32358 C6 G 01562 165.199 48.118 174.425 1.00737.35 C ATOM 32359 O6 G 01562 165.851 47.292 175.077 1.00737.35 O ATOM 32360 N1 G 01562 165.323 48.163 173.040 1.00737.35 N ATOM 32361 C2 G 01562 164.653 49.031 172.215 1.00737.35 C ATOM 32362 N2 G 01562 164.912 48.920 170.903 1.00737.35 N ATOM 32363 N3 G 01562 163.794 49.941 172.641 1.00737.35 N ATOM 32364 C4 G 01562 163.655 49.913 173.984 1.00737.35 C ATOM 32365 P U 01563 157.498 50.755 175.434 1.00737.35 P ATOM 32366 O1P U 01563 157.937 49.906 176.576 1.00737.35 O ATOM 32367 O2P U 01563 157.374 50.151 174.083 1.00737.35 O ATOM 32368 O5* U 01563 156.103 51.428 175.798 1.00737.35 O ATOM 32369 C5* U 01563 155.680 51.563 177.156 1.00737.35 C ATOM 32370 C4* U 01563 154.702 52.706 177.294 1.00737.35 C ATOM 32371 O4* U 01563 155.379 53.958 177.006 1.00737.35 O ATOM 32372 C3* U 01563 153.520 52.692 176.337 1.00737.35 C ATOM 32373 O3* U 01563 152.476 51.855 176.823 1.00737.35 O ATOM 32374 C2* U 01563 153.111 54.161 176.308 1.00737.35 C ATOM 32375 O2* U 01563 152.316 54.539 177.416 1.00737.35 O ATOM 32376 C1* U 01563 154.472 54.857 176.384 1.00737.35 C ATOM 32377 N1 U 01563 155.013 55.240 175.067 1.00737.35 N ATOM 32378 C2 U 01563 154.652 56.480 174.555 1.00737.35 C ATOM 32379 O2 U 01563 153.916 57.257 175.144 1.00737.35 O ATOM 32380 N3 U 01563 155.185 56.777 173.326 1.00737.35 N ATOM 32381 C4 U 01563 156.024 55.984 172.568 1.00737.35 C ATOM 32382 O4 U 01563 156.418 56.392 171.476 1.00737.35 O ATOM 32383 C5 U 01563 156.351 54.723 173.161 1.00737.35 C ATOM 32384 C6 U 01563 155.848 54.402 174.358 1.00737.35 C ATOM 32385 P U 01564 151.439 51.193 175.788 1.00737.35 P ATOM 32386 O1P U 01564 150.538 50.311 176.575 1.00737.35 O ATOM 32387 O2P U 01564 152.205 50.628 174.649 1.00737.35 O ATOM 32388 O5* U 01564 150.587 52.430 175.255 1.00737.35 O ATOM 32389 C5* U 01564 149.684 53.123 176.115 1.00737.35 C ATOM 32390 C4* U 01564 149.062 54.296 175.395 1.00737.35 C ATOM 32391 O4* U 01564 150.086 55.277 175.083 1.00737.35 O ATOM 32392 C3* U 01564 148.419 53.993 174.051 1.00737.35 C ATOM 32393 O3* U 01564 147.097 53.487 174.215 1.00737.35 O ATOM 32394 C2* U 01564 148.432 55.358 173.374 1.00737.35 C ATOM 32395 O2* U 01564 147.372 56.198 173.793 1.00737.35 O ATOM 32396 C1* U 01564 149.766 55.926 173.861 1.00737.35 C ATOM 32397 N1 U 01564 150.872 55.719 172.909 1.00737.35 N ATOM 32398 C2 U 01564 151.053 56.667 171.909 1.00737.35 C ATOM 32399 O2 U 01564 150.344 57.655 171.791 1.00737.35 O ATOM 32400 N3 U 01564 152.094 56.417 171.052 1.00737.35 N ATOM 32401 C4 U 01564 152.958 55.343 171.087 1.00737.35 C ATOM 32402 O4 U 01564 153.851 55.258 170.239 1.00737.35 O ATOM 32403 C5 U 01564 152.713 54.410 172.144 1.00737.35 C ATOM 32404 C6 U 01564 151.706 54.624 172.995 1.00737.35 C ATOM 32405 P G 01565 146.436 52.591 173.054 1.00737.35 P ATOM 32406 O1P G 01565 145.137 52.090 173.572 1.00737.35 O ATOM 32407 O2P G 01565 147.452 51.623 172.567 1.00737.35 O ATOM 32408 O5* G 01565 146.141 53.636 171.888 1.00737.35 O ATOM 32409 C5* G 01565 145.151 54.649 172.049 1.00737.35 C ATOM 32410 C4* G 01565 145.115 55.551 170.836 1.00737.35 C ATOM 32411 O4* G 01565 146.370 56.276 170.731 1.00737.35 O ATOM 32412 C3* G 01565 144.975 54.860 169.491 1.00737.35 C ATOM 32413 O3* G 01565 143.615 54.546 169.210 1.00737.35 O ATOM 32414 C2* G 01565 145.527 55.911 168.534 1.00737.35 C ATOM 32415 O2* G 01565 144.594 56.925 168.219 1.00737.35 O ATOM 32416 C1* G 01565 146.671 56.502 169.361 1.00737.35 C ATOM 32417 N9 G 01565 147.971 55.904 169.062 1.00737.35 N ATOM 32418 C8 G 01565 148.641 54.948 169.790 1.00737.35 C ATOM 32419 N7 G 01565 149.785 54.610 169.261 1.00737.35 N ATOM 32420 C5 G 01565 149.879 55.385 168.114 1.00737.35 C ATOM 32421 C6 G 01565 150.902 55.454 167.130 1.00737.35 C ATOM 32422 O6 G 01565 151.962 54.821 167.074 1.00737.35 O ATOM 32423 N1 G 01565 150.592 56.375 166.135 1.00737.35 N ATOM 32424 C2 G 01565 149.449 57.134 166.088 1.00737.35 C ATOM 32425 N2 G 01565 149.331 57.967 165.045 1.00737.35 N ATOM 32426 N3 G 01565 148.489 57.081 166.999 1.00737.35 N ATOM 32427 C4 G 01565 148.769 56.191 167.976 1.00737.35 C ATOM 32428 P G 01566 143.269 53.375 168.160 1.00737.35 P ATOM 32429 O1P G 01566 141.794 53.185 168.187 1.00737.35 O ATOM 32430 O2P G 01566 144.161 52.218 168.429 1.00737.35 O ATOM 32431 O5* G 01566 143.667 53.996 166.748 1.00737.35 O ATOM 32432 C5* G 01566 142.978 55.135 166.233 1.00737.35 C ATOM 32433 C4* G 01566 143.606 55.591 164.935 1.00737.35 C ATOM 32434 O4* G 01566 144.970 56.027 165.176 1.00737.35 O ATOM 32435 C3* G 01566 143.744 54.534 163.849 1.00737.35 C ATOM 32436 O3* G 01566 142.528 54.379 163.126 1.00737.35 O ATOM 32437 C2* G 01566 144.854 55.115 162.980 1.00737.35 C ATOM 32438 O2* G 01566 144.397 56.103 162.077 1.00737.35 O ATOM 32439 C1* G 01566 145.763 55.760 164.031 1.00737.35 C ATOM 32440 N9 G 01566 146.889 54.916 164.425 1.00737.35 N ATOM 32441 C8 G 01566 146.953 54.052 165.493 1.00737.35 C ATOM 32442 N7 G 01566 148.099 53.431 165.582 1.00737.35 N ATOM 32443 C5 G 01566 148.837 53.915 164.509 1.00737.35 C ATOM 32444 C6 G 01566 150.160 53.607 164.087 1.00737.35 C ATOM 32445 O6 G 01566 150.969 52.823 164.597 1.00737.35 O ATOM 32446 N1 G 01566 150.511 54.327 162.950 1.00737.35 N ATOM 32447 C2 G 01566 149.701 55.225 162.299 1.00737.35 C ATOM 32448 N2 G 01566 150.222 55.817 161.216 1.00737.35 N ATOM 32449 N3 G 01566 148.469 55.519 162.681 1.00737.35 N ATOM 32450 C4 G 01566 148.105 54.831 163.785 1.00737.35 C ATOM 32451 P A 01567 142.248 53.020 162.313 1.00737.35 P ATOM 32452 O1P A 01567 140.842 53.072 161.839 1.00737.35 O ATOM 32453 O2P A 01567 142.700 51.871 163.141 1.00737.35 O ATOM 32454 O5* A 01567 143.208 53.127 161.045 1.00737.35 O ATOM 32455 C5* A 01567 142.983 54.115 160.042 1.00737.35 C ATOM 32456 C4* A 01567 144.112 54.113 159.037 1.00737.35 C ATOM 32457 O4* A 01567 145.348 54.489 159.695 1.00737.35 O ATOM 32458 C3* A 01567 144.427 52.771 158.392 1.00737.35 C ATOM 32459 O3* A 01567 143.565 52.518 157.287 1.00737.35 O ATOM 32460 C2* A 01567 145.872 52.959 157.948 1.00737.35 C ATOM 32461 O2* A 01567 145.994 53.664 156.727 1.00737.35 O ATOM 32462 C1* A 01567 146.438 53.807 159.093 1.00737.35 C ATOM 32463 N9 A 01567 147.128 53.023 160.120 1.00737.35 N ATOM 32464 C8 A 01567 146.634 52.575 161.324 1.00737.35 C ATOM 32465 N7 A 01567 147.504 51.894 162.031 1.00737.35 N ATOM 32466 C5 A 01567 148.646 51.893 161.242 1.00737.35 C ATOM 32467 C6 A 01567 149.925 51.335 161.432 1.00737.35 C ATOM 32468 N6 A 01567 150.279 50.645 162.516 1.00737.35 N ATOM 32469 N1 A 01567 150.838 51.513 160.451 1.00737.35 N ATOM 32470 C2 A 01567 150.482 52.206 159.363 1.00737.35 C ATOM 32471 N3 A 01567 149.315 52.779 159.071 1.00737.35 N ATOM 32472 C4 A 01567 148.431 52.584 160.063 1.00737.35 C ATOM 32473 P A 01568 143.115 51.010 156.950 1.00737.35 P ATOM 32474 O1P A 01568 142.250 51.065 155.744 1.00737.35 O ATOM 32475 O2P A 01568 142.598 50.386 158.195 1.00737.35 O ATOM 32476 O5* A 01568 144.475 50.278 156.555 1.00737.35 O ATOM 32477 C5* A 01568 145.226 50.689 155.413 1.00737.35 C ATOM 32478 C4* A 01568 146.633 50.145 155.487 1.00737.35 C ATOM 32479 O4* A 01568 147.281 50.664 156.679 1.00737.35 O ATOM 32480 C3* A 01568 146.755 48.635 155.616 1.00737.35 C ATOM 32481 O3* A 01568 146.727 48.007 154.339 1.00737.35 O ATOM 32482 C2* A 01568 148.119 48.478 156.279 1.00737.35 C ATOM 32483 O2* A 01568 149.189 48.593 155.363 1.00737.35 O ATOM 32484 C1* A 01568 148.125 49.670 157.238 1.00737.35 C ATOM 32485 N9 A 01568 147.633 49.341 158.576 1.00737.35 N ATOM 32486 C8 A 01568 146.363 49.508 159.078 1.00737.35 C ATOM 32487 N7 A 01568 146.231 49.113 160.322 1.00737.35 N ATOM 32488 C5 A 01568 147.496 48.658 160.664 1.00737.35 C ATOM 32489 C6 A 01568 148.013 48.110 161.850 1.00737.35 C ATOM 32490 N6 A 01568 147.292 47.921 162.957 1.00737.35 N ATOM 32491 N1 A 01568 149.318 47.759 161.862 1.00737.35 N ATOM 32492 C2 A 01568 150.042 47.948 160.752 1.00737.35 C ATOM 32493 N3 A 01568 149.670 48.452 159.578 1.00737.35 N ATOM 32494 C4 A 01568 148.371 48.792 159.600 1.00737.35 C ATOM 32495 P A 01569 146.291 46.463 154.216 1.00737.35 P ATOM 32496 O1P A 01569 144.963 46.434 153.548 1.00737.35 O ATOM 32497 O2P A 01569 146.462 45.797 155.535 1.00737.35 O ATOM 32498 O5* A 01569 147.362 45.843 153.211 1.00737.35 O ATOM 32499 C5* A 01569 147.538 46.380 151.903 1.00737.35 C ATOM 32500 C4* A 01569 148.523 45.543 151.117 1.00737.35 C ATOM 32501 O4* A 01569 149.829 45.618 151.741 1.00737.35 O ATOM 32502 C3* A 01569 148.222 44.054 151.057 1.00737.35 C ATOM 32503 O3* A 01569 147.284 43.773 150.023 1.00737.35 O ATOM 32504 C2* A 01569 149.594 43.459 150.762 1.00737.35 C ATOM 32505 O2* A 01569 149.949 43.525 149.395 1.00737.35 O ATOM 32506 C1* A 01569 150.507 44.382 151.576 1.00737.35 C ATOM 32507 N9 A 01569 150.848 43.857 152.900 1.00737.35 N ATOM 32508 C8 A 01569 150.089 43.888 154.047 1.00737.35 C ATOM 32509 N7 A 01569 150.669 43.331 155.080 1.00737.35 N ATOM 32510 C5 A 01569 151.895 42.904 154.584 1.00737.35 C ATOM 32511 C6 A 01569 152.977 42.237 155.183 1.00737.35 C ATOM 32512 N6 A 01569 153.001 41.867 156.465 1.00737.35 N ATOM 32513 N1 A 01569 154.049 41.957 154.411 1.00737.35 N ATOM 32514 C2 A 01569 154.025 42.329 153.124 1.00737.35 C ATOM 32515 N3 A 01569 153.067 42.960 152.447 1.00737.35 N ATOM 32516 C4 A 01569 152.016 43.223 153.243 1.00737.35 C ATOM 32517 P C 01570 146.049 42.785 150.309 1.00737.35 P ATOM 32518 O1P C 01570 145.049 43.019 149.236 1.00737.35 O ATOM 32519 O2P C 01570 145.640 42.924 151.732 1.00737.35 O ATOM 32520 O5* C 01570 146.658 41.327 150.105 1.00737.35 O ATOM 32521 C5* C 01570 145.829 40.171 150.197 1.00737.35 C ATOM 32522 C4* C 01570 145.935 39.348 148.933 1.00737.35 C ATOM 32523 O4* C 01570 145.551 40.171 147.801 1.00737.35 O ATOM 32524 C3* C 01570 147.325 38.842 148.581 1.00737.35 C ATOM 32525 O3* C 01570 147.594 37.614 149.256 1.00737.35 O ATOM 32526 C2* C 01570 147.225 38.651 147.072 1.00737.35 C ATOM 32527 O2* C 01570 146.599 37.438 146.706 1.00737.35 O ATOM 32528 C1* C 01570 146.338 39.832 146.671 1.00737.35 C ATOM 32529 N1 C 01570 147.098 41.027 146.244 1.00737.35 N ATOM 32530 C2 C 01570 147.465 41.152 144.894 1.00737.35 C ATOM 32531 O2 C 01570 147.140 40.259 144.091 1.00737.35 O ATOM 32532 N3 C 01570 148.163 42.241 144.497 1.00737.35 N ATOM 32533 C4 C 01570 148.494 43.181 145.384 1.00737.35 C ATOM 32534 N4 C 01570 149.184 44.237 144.950 1.00737.35 N ATOM 32535 C5 C 01570 148.136 43.080 146.762 1.00737.35 C ATOM 32536 C6 C 01570 147.445 41.999 147.144 1.00737.35 C ATOM 32537 P G 01571 149.093 37.028 149.292 1.00737.35 P ATOM 32538 O1P G 01571 149.656 37.127 147.920 1.00737.35 O ATOM 32539 O2P G 01571 149.048 35.708 149.970 1.00737.35 O ATOM 32540 O5* G 01571 149.897 38.035 150.230 1.00737.35 O ATOM 32541 C5* G 01571 151.318 37.961 150.322 1.00737.35 C ATOM 32542 C4* G 01571 151.765 38.058 151.764 1.00737.35 C ATOM 32543 O4* G 01571 151.497 39.385 152.279 1.00737.35 O ATOM 32544 C3* G 01571 151.073 37.130 152.751 1.00737.35 C ATOM 32545 O3* G 01571 151.650 35.828 152.727 1.00737.35 O ATOM 32546 C2* G 01571 151.324 37.835 154.082 1.00737.35 C ATOM 32547 O2* G 01571 152.601 37.561 154.624 1.00737.35 O ATOM 32548 C1* G 01571 151.242 39.309 153.673 1.00737.35 C ATOM 32549 N9 G 01571 149.952 39.936 153.954 1.00737.35 N ATOM 32550 C8 G 01571 148.986 40.308 153.048 1.00737.35 C ATOM 32551 N7 G 01571 147.941 40.854 153.607 1.00737.35 N ATOM 32552 C5 G 01571 148.230 40.843 154.966 1.00737.35 C ATOM 32553 C6 G 01571 147.471 41.304 156.073 1.00737.35 C ATOM 32554 O6 G 01571 146.354 41.840 156.075 1.00737.35 O ATOM 32555 N1 G 01571 148.142 41.092 157.275 1.00737.35 N ATOM 32556 C2 G 01571 149.379 40.513 157.400 1.00737.35 C ATOM 32557 N2 G 01571 149.854 40.390 158.648 1.00737.35 N ATOM 32558 N3 G 01571 150.099 40.083 156.376 1.00737.35 N ATOM 32559 C4 G 01571 149.468 40.277 155.197 1.00737.35 C ATOM 32560 P C 01572 150.776 34.556 153.181 1.00737.35 P ATOM 32561 O1P C 01572 151.555 33.340 152.829 1.00737.35 O ATOM 32562 O2P C 01572 149.394 34.717 152.659 1.00737.35 O ATOM 32563 O5* C 01572 150.724 34.671 154.769 1.00737.35 O ATOM 32564 C5* C 01572 151.905 34.518 155.555 1.00737.35 C ATOM 32565 C4* C 01572 151.639 34.910 156.990 1.00737.35 C ATOM 32566 O4* C 01572 151.235 36.306 157.037 1.00737.35 O ATOM 32567 C3* C 01572 150.507 34.175 157.690 1.00737.35 C ATOM 32568 O3* C 01572 150.937 32.919 158.221 1.00737.35 O ATOM 32569 C2* C 01572 150.129 35.154 158.793 1.00737.35 C ATOM 32570 O2* C 01572 151.004 35.104 159.904 1.00737.35 O ATOM 32571 C1* C 01572 150.280 36.493 158.072 1.00737.35 C ATOM 32572 N1 C 01572 149.016 36.985 157.478 1.00737.35 N ATOM 32573 C2 C 01572 148.058 37.583 158.317 1.00737.35 C ATOM 32574 O2 C 01572 148.291 37.682 159.533 1.00737.35 O ATOM 32575 N3 C 01572 146.902 38.037 157.776 1.00737.35 N ATOM 32576 C4 C 01572 146.680 37.910 156.467 1.00737.35 C ATOM 32577 N4 C 01572 145.524 38.373 155.984 1.00737.35 N ATOM 32578 C5 C 01572 147.632 37.306 155.595 1.00737.35 C ATOM 32579 C6 C 01572 148.774 36.861 156.138 1.00737.35 C ATOM 32580 P G 01573 150.014 31.609 158.043 1.00737.35 P ATOM 32581 O1P G 01573 150.839 30.441 158.442 1.00737.35 O ATOM 32582 O2P G 01573 149.399 31.643 156.690 1.00737.35 O ATOM 32583 O5* G 01573 148.851 31.775 159.122 1.00737.35 O ATOM 32584 C5* G 01573 148.045 32.949 159.154 1.00737.35 C ATOM 32585 C4* G 01573 147.161 32.962 160.380 1.00737.35 C ATOM 32586 O4* G 01573 146.666 34.313 160.579 1.00737.35 O ATOM 32587 C3* G 01573 145.918 32.084 160.305 1.00737.35 C ATOM 32588 O3* G 01573 146.187 30.750 160.736 1.00737.35 O ATOM 32589 C2* G 01573 144.949 32.817 161.224 1.00737.35 C ATOM 32590 O2* G 01573 145.175 32.553 162.595 1.00737.35 O ATOM 32591 C1* G 01573 145.287 34.275 160.910 1.00737.35 C ATOM 32592 N9 G 01573 144.541 34.814 159.775 1.00737.35 N ATOM 32593 C8 G 01573 144.960 34.867 158.465 1.00737.35 C ATOM 32594 N7 G 01573 144.080 35.399 157.666 1.00737.35 N ATOM 32595 C5 G 01573 143.013 35.718 158.493 1.00737.35 C ATOM 32596 C6 G 01573 141.767 36.321 158.187 1.00737.35 C ATOM 32597 O6 G 01573 141.345 36.701 157.088 1.00737.35 O ATOM 32598 N1 G 01573 140.976 36.463 159.323 1.00737.35 N ATOM 32599 C2 G 01573 141.338 36.078 160.591 1.00737.35 C ATOM 32600 N2 G 01573 140.433 36.302 161.557 1.00737.35 N ATOM 32601 N3 G 01573 142.496 35.513 160.889 1.00737.35 N ATOM 32602 C4 G 01573 143.280 35.365 159.799 1.00737.35 C ATOM 32603 P A 01574 144.992 29.667 160.786 1.00737.35 P ATOM 32604 O1P A 01574 143.796 30.248 160.124 1.00737.35 O ATOM 32605 O2P A 01574 144.889 29.182 162.184 1.00737.35 O ATOM 32606 O5* A 01574 145.509 28.456 159.890 1.00737.35 O ATOM 32607 C5* A 01574 145.964 28.657 158.552 1.00737.35 C ATOM 32608 C4* A 01574 144.855 28.346 157.573 1.00737.35 C ATOM 32609 O4* A 01574 143.833 29.371 157.681 1.00737.35 O ATOM 32610 C3* A 01574 145.254 28.367 156.104 1.00737.35 C ATOM 32611 O3* A 01574 145.786 27.105 155.713 1.00737.35 O ATOM 32612 C2* A 01574 143.931 28.678 155.415 1.00737.35 C ATOM 32613 O2* A 01574 143.095 27.545 155.276 1.00737.35 O ATOM 32614 C1* A 01574 143.306 29.669 156.399 1.00737.35 C ATOM 32615 N9 A 01574 143.614 31.068 156.088 1.00737.35 N ATOM 32616 C8 A 01574 144.825 31.712 156.210 1.00737.35 C ATOM 32617 N7 A 01574 144.793 32.969 155.845 1.00737.35 N ATOM 32618 C5 A 01574 143.477 33.171 155.455 1.00737.35 C ATOM 32619 C6 A 01574 142.798 34.300 154.963 1.00737.35 C ATOM 32620 N6 A 01574 143.378 35.486 154.768 1.00737.35 N ATOM 32621 N1 A 01574 141.485 34.168 154.677 1.00737.35 N ATOM 32622 C2 A 01574 140.904 32.980 154.872 1.00737.35 C ATOM 32623 N3 A 01574 141.434 31.845 155.325 1.00737.35 N ATOM 32624 C4 A 01574 142.738 32.008 155.603 1.00737.35 C ATOM 32625 P C 01575 146.455 26.929 154.259 1.00737.35 P ATOM 32626 O1P C 01575 147.653 26.070 154.429 1.00737.35 O ATOM 32627 O2P C 01575 146.599 28.267 153.621 1.00737.35 O ATOM 32628 O5* C 01575 145.365 26.100 153.444 1.00737.35 O ATOM 32629 C5* C 01575 145.303 26.166 152.022 1.00737.35 C ATOM 32630 C4* C 01575 143.968 25.657 151.526 1.00737.35 C ATOM 32631 O4* C 01575 143.869 24.229 151.760 1.00737.35 O ATOM 32632 C3* C 01575 142.730 26.252 152.184 1.00737.35 C ATOM 32633 O3* C 01575 142.503 27.575 151.663 1.00737.35 O ATOM 32634 C2* C 01575 141.690 25.152 151.971 1.00737.35 C ATOM 32635 O2* C 01575 141.113 25.129 150.681 1.00737.35 O ATOM 32636 C1* C 01575 142.546 23.895 152.146 1.00737.35 C ATOM 32637 N1 C 01575 142.583 23.351 153.521 1.00737.35 N ATOM 32638 C2 C 01575 141.562 22.485 153.943 1.00737.35 C ATOM 32639 O2 C 01575 140.636 22.211 153.161 1.00737.35 O ATOM 32640 N3 C 01575 141.607 21.972 155.194 1.00737.35 N ATOM 32641 C4 C 01575 142.615 22.290 156.011 1.00737.35 C ATOM 32642 N4 C 01575 142.624 21.752 157.233 1.00737.35 N ATOM 32643 C5 C 01575 143.660 23.172 155.613 1.00737.35 C ATOM 32644 C6 C 01575 143.604 23.675 154.373 1.00737.35 C ATOM 32645 P G 01576 141.064 28.022 151.073 1.00737.35 P ATOM 32646 O1P G 01576 140.898 27.352 149.758 1.00737.35 O ATOM 32647 O2P G 01576 141.033 29.501 151.136 1.00737.35 O ATOM 32648 O5* G 01576 139.950 27.467 152.071 1.00737.35 O ATOM 32649 C5* G 01576 140.078 27.578 153.489 1.00737.35 C ATOM 32650 C4* G 01576 139.015 28.500 154.060 1.00737.35 C ATOM 32651 O4* G 01576 139.508 29.860 154.121 1.00737.35 O ATOM 32652 C3* G 01576 137.688 28.621 153.323 1.00737.35 C ATOM 32653 O3* G 01576 136.805 27.537 153.612 1.00737.35 O ATOM 32654 C2* G 01576 137.134 29.938 153.864 1.00737.35 C ATOM 32655 O2* G 01576 136.471 29.792 155.104 1.00737.35 O ATOM 32656 C1* G 01576 138.411 30.761 154.063 1.00737.35 C ATOM 32657 N9 G 01576 138.663 31.751 153.018 1.00737.35 N ATOM 32658 C8 G 01576 139.581 31.674 151.999 1.00737.35 C ATOM 32659 N7 G 01576 139.583 32.727 151.228 1.00737.35 N ATOM 32660 C5 G 01576 138.606 33.550 151.767 1.00737.35 C ATOM 32661 C6 G 01576 138.159 34.829 151.360 1.00737.35 C ATOM 32662 O6 G 01576 138.553 35.516 150.409 1.00737.35 O ATOM 32663 N1 G 01576 137.146 35.305 152.186 1.00737.35 N ATOM 32664 C2 G 01576 136.628 34.636 153.268 1.00737.35 C ATOM 32665 N2 G 01576 135.649 35.260 153.936 1.00737.35 N ATOM 32666 N3 G 01576 137.041 33.443 153.662 1.00737.35 N ATOM 32667 C4 G 01576 138.023 32.963 152.872 1.00737.35 C ATOM 32668 P G 01577 135.598 27.197 152.602 1.00737.35 P ATOM 32669 O1P G 01577 134.852 26.051 153.181 1.00737.35 O ATOM 32670 O2P G 01577 136.154 27.090 151.229 1.00737.35 O ATOM 32671 O5* G 01577 134.660 28.487 152.657 1.00737.35 O ATOM 32672 C5* G 01577 133.836 28.747 153.794 1.00737.35 C ATOM 32673 C4* G 01577 133.100 30.060 153.628 1.00737.35 C ATOM 32674 O4* G 01577 134.063 31.145 153.526 1.00737.35 O ATOM 32675 C3* G 01577 132.246 30.206 152.378 1.00737.35 C ATOM 32676 O3* G 01577 130.958 29.624 152.557 1.00737.35 O ATOM 32677 C2* G 01577 132.155 31.722 152.226 1.00737.35 C ATOM 32678 O2* G 01577 131.185 32.309 153.067 1.00737.35 O ATOM 32679 C1* G 01577 133.556 32.154 152.668 1.00737.35 C ATOM 32680 N9 G 01577 134.481 32.331 151.551 1.00737.35 N ATOM 32681 C8 G 01577 135.377 31.412 151.057 1.00737.35 C ATOM 32682 N7 G 01577 136.067 31.862 150.045 1.00737.35 N ATOM 32683 C5 G 01577 135.600 33.156 149.859 1.00737.35 C ATOM 32684 C6 G 01577 135.975 34.141 148.906 1.00737.35 C ATOM 32685 O6 G 01577 136.822 34.062 148.009 1.00737.35 O ATOM 32686 N1 G 01577 135.250 35.316 149.074 1.00737.35 N ATOM 32687 C2 G 01577 134.289 35.522 150.032 1.00737.35 C ATOM 32688 N2 G 01577 133.701 36.727 150.030 1.00737.35 N ATOM 32689 N3 G 01577 133.930 34.615 150.925 1.00737.35 N ATOM 32690 C4 G 01577 134.622 33.463 150.782 1.00737.35 C ATOM 32691 P U 01578 130.127 29.114 151.278 1.00737.35 P ATOM 32692 O1P U 01578 128.830 28.591 151.778 1.00737.35 O ATOM 32693 O2P U 01578 131.006 28.239 150.466 1.00737.35 O ATOM 32694 O5* U 01578 129.842 30.444 150.444 1.00737.35 O ATOM 32695 C5* U 01578 128.893 31.409 150.900 1.00737.35 C ATOM 32696 C4* U 01578 128.792 32.554 149.917 1.00737.35 C ATOM 32697 O4* U 01578 130.059 33.258 149.859 1.00737.35 O ATOM 32698 C3* U 01578 128.509 32.172 148.472 1.00737.35 C ATOM 32699 O3* U 01578 127.113 31.986 148.251 1.00737.35 O ATOM 32700 C2* U 01578 129.048 33.377 147.708 1.00737.35 C ATOM 32701 O2* U 01578 128.151 34.470 147.684 1.00737.35 O ATOM 32702 C1* U 01578 130.281 33.738 148.542 1.00737.35 C ATOM 32703 N1 U 01578 131.532 33.152 148.028 1.00737.35 N ATOM 32704 C2 U 01578 132.237 33.868 147.069 1.00737.35 C ATOM 32705 O2 U 01578 131.869 34.951 146.639 1.00737.35 O ATOM 32706 N3 U 01578 133.394 33.266 146.631 1.00737.35 N ATOM 32707 C4 U 01578 133.908 32.052 147.042 1.00737.35 C ATOM 32708 O4 U 01578 134.967 31.649 146.560 1.00737.35 O ATOM 32709 C5 U 01578 133.125 31.376 148.030 1.00737.35 C ATOM 32710 C6 U 01578 131.995 31.932 148.478 1.00737.35 C ATOM 32711 P G 01579 126.614 30.967 147.111 1.00737.35 P ATOM 32712 O1P G 01579 125.137 30.863 147.232 1.00737.35 O ATOM 32713 O2P G 01579 127.442 29.736 147.182 1.00737.35 O ATOM 32714 O5* G 01579 126.955 31.717 145.746 1.00737.35 O ATOM 32715 C5* G 01579 126.182 32.833 145.309 1.00737.35 C ATOM 32716 C4* G 01579 126.788 33.440 144.062 1.00737.35 C ATOM 32717 O4* G 01579 128.104 33.964 144.376 1.00737.35 O ATOM 32718 C3* G 01579 127.026 32.483 142.904 1.00737.35 C ATOM 32719 O3* G 01579 125.846 32.318 142.121 1.00737.35 O ATOM 32720 C2* G 01579 128.131 33.190 142.126 1.00737.35 C ATOM 32721 O2* G 01579 127.651 34.226 141.292 1.00737.35 O ATOM 32722 C1* G 01579 128.966 33.785 143.262 1.00737.35 C ATOM 32723 N9 G 01579 130.082 32.934 143.671 1.00737.35 N ATOM 32724 C8 G 01579 130.111 32.049 144.723 1.00737.35 C ATOM 32725 N7 G 01579 131.253 31.430 144.843 1.00737.35 N ATOM 32726 C5 G 01579 132.028 31.935 143.807 1.00737.35 C ATOM 32727 C6 G 01579 133.362 31.638 143.430 1.00737.35 C ATOM 32728 O6 G 01579 134.155 30.847 143.955 1.00737.35 O ATOM 32729 N1 G 01579 133.755 32.376 142.319 1.00737.35 N ATOM 32730 C2 G 01579 132.969 33.283 141.653 1.00737.35 C ATOM 32731 N2 G 01579 133.531 33.895 140.600 1.00737.35 N ATOM 32732 N3 G 01579 131.723 33.571 141.995 1.00737.35 N ATOM 32733 C4 G 01579 131.320 32.865 143.072 1.00737.35 C ATOM 32734 P C 01580 125.663 31.000 141.217 1.00737.35 P ATOM 32735 O1P C 01580 124.291 31.039 140.654 1.00737.35 O ATOM 32736 O2P C 01580 126.094 29.819 142.009 1.00737.35 O ATOM 32737 O5* C 01580 126.699 31.202 140.023 1.00737.35 O ATOM 32738 C5* C 01580 126.556 32.284 139.103 1.00737.35 C ATOM 32739 C4* C 01580 127.798 32.417 138.252 1.00737.35 C ATOM 32740 O4* C 01580 128.938 32.692 139.108 1.00737.35 O ATOM 32741 C3* C 01580 128.206 31.180 137.464 1.00737.35 C ATOM 32742 O3* C 01580 127.494 31.101 136.230 1.00737.35 O ATOM 32743 C2* C 01580 129.698 31.415 137.252 1.00737.35 C ATOM 32744 O2* C 01580 129.973 32.305 136.190 1.00737.35 O ATOM 32745 C1* C 01580 130.096 32.060 138.581 1.00737.35 C ATOM 32746 N1 C 01580 130.605 31.096 139.580 1.00737.35 N ATOM 32747 C2 C 01580 131.968 30.737 139.549 1.00737.35 C ATOM 32748 O2 C 01580 132.709 31.236 138.683 1.00737.35 O ATOM 32749 N3 C 01580 132.436 29.856 140.462 1.00737.35 N ATOM 32750 C4 C 01580 131.614 29.338 141.375 1.00737.35 C ATOM 32751 N4 C 01580 132.125 28.475 142.258 1.00737.35 N ATOM 32752 C5 C 01580 130.233 29.682 141.430 1.00737.35 C ATOM 32753 C6 C 01580 129.776 30.555 140.523 1.00737.35 C ATOM 32754 P C 01581 127.371 29.689 135.464 1.00737.35 P ATOM 32755 O1P C 01581 126.148 29.756 134.622 1.00737.35 O ATOM 32756 O2P C 01581 127.520 28.589 136.452 1.00737.35 O ATOM 32757 O5* C 01581 128.638 29.661 134.498 1.00737.35 O ATOM 32758 C5* C 01581 128.740 30.564 133.396 1.00737.35 C ATOM 32759 C4* C 01581 130.162 30.614 132.884 1.00737.35 C ATOM 32760 O4* C 01581 131.036 31.070 133.952 1.00737.35 O ATOM 32761 C3* C 01581 130.771 29.291 132.439 1.00737.35 C ATOM 32762 O3* C 01581 130.417 28.989 131.093 1.00737.35 O ATOM 32763 C2* C 01581 132.260 29.564 132.585 1.00737.35 C ATOM 32764 O2* C 01581 132.785 30.318 131.510 1.00737.35 O ATOM 32765 C1* C 01581 132.288 30.403 133.865 1.00737.35 C ATOM 32766 N1 C 01581 132.481 29.597 135.087 1.00737.35 N ATOM 32767 C2 C 01581 133.786 29.389 135.568 1.00737.35 C ATOM 32768 O2 C 01581 134.747 29.882 134.953 1.00737.35 O ATOM 32769 N3 C 01581 133.965 28.651 136.687 1.00737.35 N ATOM 32770 C4 C 01581 132.910 28.133 137.322 1.00737.35 C ATOM 32771 N4 C 01581 133.134 27.415 138.425 1.00737.35 N ATOM 32772 C5 C 01581 131.578 28.328 136.857 1.00737.35 C ATOM 32773 C6 C 01581 131.412 29.059 135.749 1.00737.35 C ATOM 32774 P A 01582 130.451 27.466 130.578 1.00737.35 P ATOM 32775 O1P A 01582 129.457 27.368 129.479 1.00737.35 O ATOM 32776 O2P A 01582 130.335 26.554 131.748 1.00737.35 O ATOM 32777 O5* A 01582 131.911 27.292 129.959 1.00737.35 O ATOM 32778 C5* A 01582 132.100 26.643 128.701 1.00737.35 C ATOM 32779 C4* A 01582 133.568 26.588 128.338 1.00737.35 C ATOM 32780 O4* A 01582 134.108 27.934 128.288 1.00737.35 O ATOM 32781 C3* A 01582 134.490 25.861 129.304 1.00737.35 C ATOM 32782 O3* A 01582 134.453 24.455 129.070 1.00737.35 O ATOM 32783 C2* A 01582 135.851 26.456 128.952 1.00737.35 C ATOM 32784 O2* A 01582 136.441 25.864 127.814 1.00737.35 O ATOM 32785 C1* A 01582 135.479 27.911 128.644 1.00737.35 C ATOM 32786 N9 A 01582 135.684 28.825 129.769 1.00737.35 N ATOM 32787 C8 A 01582 135.214 28.710 131.054 1.00737.35 C ATOM 32788 N7 A 01582 135.573 29.699 131.839 1.00737.35 N ATOM 32789 C5 A 01582 136.328 30.521 131.014 1.00737.35 C ATOM 32790 C6 A 01582 136.995 31.738 131.247 1.00737.35 C ATOM 32791 N6 A 01582 137.008 32.363 132.426 1.00737.35 N ATOM 32792 N1 A 01582 137.655 32.299 130.210 1.00737.35 N ATOM 32793 C2 A 01582 137.643 31.673 129.027 1.00737.35 C ATOM 32794 N3 A 01582 137.053 30.530 128.687 1.00737.35 N ATOM 32795 C4 A 01582 136.406 29.996 129.736 1.00737.35 C ATOM 32796 P A 01583 135.137 23.443 130.118 1.00737.35 P ATOM 32797 O1P A 01583 136.609 23.627 130.011 1.00737.35 O ATOM 32798 O2P A 01583 134.552 22.097 129.898 1.00737.35 O ATOM 32799 O5* A 01583 134.657 23.961 131.547 1.00737.35 O ATOM 32800 C5* A 01583 135.517 24.739 132.379 1.00737.35 C ATOM 32801 C4* A 01583 135.221 24.469 133.838 1.00737.35 C ATOM 32802 O4* A 01583 133.867 24.896 134.138 1.00737.35 O ATOM 32803 C3* A 01583 135.260 23.006 134.259 1.00737.35 C ATOM 32804 O3* A 01583 136.590 22.597 134.568 1.00737.35 O ATOM 32805 C2* A 01583 134.357 23.000 135.487 1.00737.35 C ATOM 32806 O2* A 01583 135.009 23.443 136.661 1.00737.35 O ATOM 32807 C1* A 01583 133.281 24.010 135.079 1.00737.35 C ATOM 32808 N9 A 01583 132.106 23.392 134.462 1.00737.35 N ATOM 32809 C8 A 01583 131.936 23.018 133.150 1.00737.35 C ATOM 32810 N7 A 01583 130.765 22.487 132.898 1.00737.35 N ATOM 32811 C5 A 01583 130.117 22.511 134.124 1.00737.35 C ATOM 32812 C6 A 01583 128.837 22.091 134.525 1.00737.35 C ATOM 32813 N6 A 01583 127.946 21.540 133.698 1.00737.35 N ATOM 32814 N1 A 01583 128.499 22.259 135.822 1.00737.35 N ATOM 32815 C2 A 01583 129.394 22.813 136.651 1.00737.35 C ATOM 32816 N3 A 01583 130.623 23.249 136.393 1.00737.35 N ATOM 32817 C4 A 01583 130.929 23.068 135.096 1.00737.35 C ATOM 32818 P G 01584 137.008 21.053 134.409 1.00737.35 P ATOM 32819 O1P G 01584 136.825 20.691 132.978 1.00737.35 O ATOM 32820 O2P G 01584 136.303 20.272 135.458 1.00737.35 O ATOM 32821 O5* G 01584 138.565 21.038 134.745 1.00737.35 O ATOM 32822 C5* G 01584 139.546 21.194 133.717 1.00737.35 C ATOM 32823 C4* G 01584 140.483 22.329 134.055 1.00737.35 C ATOM 32824 O4* G 01584 139.717 23.562 134.123 1.00737.35 O ATOM 32825 C3* G 01584 141.175 22.237 135.407 1.00737.35 C ATOM 32826 O3* G 01584 142.357 21.445 135.343 1.00737.35 O ATOM 32827 C2* G 01584 141.472 23.700 135.716 1.00737.35 C ATOM 32828 O2* G 01584 142.612 24.190 135.040 1.00737.35 O ATOM 32829 C1* G 01584 140.210 24.376 135.175 1.00737.35 C ATOM 32830 N9 G 01584 139.146 24.526 136.167 1.00737.35 N ATOM 32831 C8 G 01584 138.747 23.598 137.103 1.00737.35 C ATOM 32832 N7 G 01584 137.769 24.019 137.857 1.00737.35 N ATOM 32833 C5 G 01584 137.504 25.300 137.393 1.00737.35 C ATOM 32834 C6 G 01584 136.543 26.249 137.823 1.00737.35 C ATOM 32835 O6 G 01584 135.713 26.146 138.735 1.00737.35 O ATOM 32836 N1 G 01584 136.608 27.418 137.073 1.00737.35 N ATOM 32837 C2 G 01584 137.487 27.649 136.044 1.00737.35 C ATOM 32838 N2 G 01584 137.390 28.845 135.442 1.00737.35 N ATOM 32839 N3 G 01584 138.391 26.776 135.634 1.00737.35 N ATOM 32840 C4 G 01584 138.343 25.627 136.350 1.00737.35 C ATOM 32841 P A 01585 142.811 20.592 136.626 1.00737.35 P ATOM 32842 O1P A 01585 141.675 19.712 137.002 1.00737.35 O ATOM 32843 O2P A 01585 143.374 21.532 137.630 1.00737.35 O ATOM 32844 O5* A 01585 143.993 19.670 136.089 1.00737.35 O ATOM 32845 C5* A 01585 144.569 18.664 136.921 1.00737.35 C ATOM 32846 C4* A 01585 145.496 17.783 136.116 1.00737.35 C ATOM 32847 O4* A 01585 146.554 18.594 135.540 1.00737.35 O ATOM 32848 C3* A 01585 146.231 16.721 136.917 1.00737.35 C ATOM 32849 O3* A 01585 145.429 15.554 137.071 1.00737.35 O ATOM 32850 C2* A 01585 147.460 16.460 136.055 1.00737.35 C ATOM 32851 O2* A 01585 147.205 15.592 134.969 1.00737.35 O ATOM 32852 C1* A 01585 147.771 17.867 135.535 1.00737.35 C ATOM 32853 N9 A 01585 148.748 18.588 136.354 1.00737.35 N ATOM 32854 C8 A 01585 148.511 19.568 137.288 1.00737.35 C ATOM 32855 N7 A 01585 149.598 20.028 137.858 1.00737.35 N ATOM 32856 C5 A 01585 150.622 19.303 137.264 1.00737.35 C ATOM 32857 C6 A 01585 152.015 19.319 137.437 1.00737.35 C ATOM 32858 N6 A 01585 152.647 20.125 138.293 1.00737.35 N ATOM 32859 N1 A 01585 152.751 18.467 136.689 1.00737.35 N ATOM 32860 C2 A 01585 152.118 17.661 135.829 1.00737.35 C ATOM 32861 N3 A 01585 150.816 17.551 135.579 1.00737.35 N ATOM 32862 C4 A 01585 150.112 18.411 136.337 1.00737.35 C ATOM 32863 P A 01586 145.628 14.612 138.358 1.00737.35 P ATOM 32864 O1P A 01586 144.613 13.530 138.276 1.00737.35 O ATOM 32865 O2P A 01586 145.687 15.470 139.569 1.00737.35 O ATOM 32866 O5* A 01586 147.067 13.961 138.139 1.00737.35 O ATOM 32867 C5* A 01586 147.317 13.092 137.037 1.00737.35 C ATOM 32868 C4* A 01586 148.786 12.744 136.963 1.00737.35 C ATOM 32869 O4* A 01586 149.554 13.953 136.721 1.00737.35 O ATOM 32870 C3* A 01586 149.394 12.161 138.230 1.00737.35 C ATOM 32871 O3* A 01586 149.167 10.756 138.306 1.00737.35 O ATOM 32872 C2* A 01586 150.869 12.499 138.067 1.00737.35 C ATOM 32873 O2* A 01586 151.555 11.601 137.216 1.00737.35 O ATOM 32874 C1* A 01586 150.793 13.880 137.409 1.00737.35 C ATOM 32875 N9 A 01586 150.855 14.984 138.369 1.00737.35 N ATOM 32876 C8 A 01586 149.812 15.604 139.016 1.00737.35 C ATOM 32877 N7 A 01586 150.186 16.566 139.821 1.00737.35 N ATOM 32878 C5 A 01586 151.570 16.584 139.702 1.00737.35 C ATOM 32879 C6 A 01586 152.562 17.377 140.303 1.00737.35 C ATOM 32880 N6 A 01586 152.304 18.349 141.178 1.00737.35 N ATOM 32881 N1 A 01586 153.848 17.137 139.966 1.00737.35 N ATOM 32882 C2 A 01586 154.107 16.161 139.086 1.00737.35 C ATOM 32883 N3 A 01586 153.264 15.349 138.456 1.00737.35 N ATOM 32884 C4 A 01586 151.995 15.614 138.810 1.00737.35 C ATOM 32885 P A 01587 149.150 10.027 139.740 1.00737.35 P ATOM 32886 O1P A 01587 148.677 8.636 139.520 1.00737.35 O ATOM 32887 O2P A 01587 148.436 10.898 140.709 1.00737.35 O ATOM 32888 O5* A 01587 150.686 9.972 140.161 1.00737.35 O ATOM 32889 C5* A 01587 151.605 9.130 139.465 1.00737.35 C ATOM 32890 C4* A 01587 153.015 9.379 139.949 1.00737.35 C ATOM 32891 O4* A 01587 153.403 10.744 139.635 1.00737.35 O ATOM 32892 C3* A 01587 153.238 9.260 141.450 1.00737.35 C ATOM 32893 O3* A 01587 153.452 7.902 141.827 1.00737.35 O ATOM 32894 C2* A 01587 154.483 10.115 141.659 1.00737.35 C ATOM 32895 O2* A 01587 155.678 9.435 141.333 1.00737.35 O ATOM 32896 C1* A 01587 154.246 11.249 140.658 1.00737.35 C ATOM 32897 N9 A 01587 153.608 12.431 141.245 1.00737.35 N ATOM 32898 C8 A 01587 152.291 12.817 141.156 1.00737.35 C ATOM 32899 N7 A 01587 152.022 13.930 141.792 1.00737.35 N ATOM 32900 C5 A 01587 153.242 14.306 142.337 1.00737.35 C ATOM 32901 C6 A 01587 153.627 15.402 143.128 1.00737.35 C ATOM 32902 N6 A 01587 152.786 16.363 143.523 1.00737.35 N ATOM 32903 N1 A 01587 154.921 15.482 143.505 1.00737.35 N ATOM 32904 C2 A 01587 155.765 14.519 143.109 1.00737.35 C ATOM 32905 N3 A 01587 155.523 13.441 142.366 1.00737.35 N ATOM 32906 C4 A 01587 154.229 13.393 142.008 1.00737.35 C ATOM 32907 P A 01588 153.263 7.460 143.362 1.00737.35 P ATOM 32908 O1P A 01588 153.310 5.976 143.398 1.00737.35 O ATOM 32909 O2P A 01588 152.084 8.169 143.923 1.00737.35 O ATOM 32910 O5* A 01588 154.570 8.014 144.087 1.00737.35 O ATOM 32911 C5* A 01588 155.867 7.547 143.719 1.00737.35 C ATOM 32912 C4* A 01588 156.934 8.313 144.467 1.00737.35 C ATOM 32913 O4* A 01588 156.848 9.722 144.121 1.00737.35 O ATOM 32914 C3* A 01588 156.828 8.292 145.984 1.00737.35 C ATOM 32915 O3* A 01588 157.441 7.124 146.521 1.00737.35 O ATOM 32916 C2* A 01588 157.578 9.560 146.379 1.00737.35 C ATOM 32917 O2* A 01588 158.982 9.393 146.389 1.00737.35 O ATOM 32918 C1* A 01588 157.176 10.514 145.252 1.00737.35 C ATOM 32919 N9 A 01588 156.021 11.353 145.583 1.00737.35 N ATOM 32920 C8 A 01588 154.691 11.086 145.373 1.00737.35 C ATOM 32921 N7 A 01588 153.888 12.037 145.781 1.00737.35 N ATOM 32922 C5 A 01588 154.747 12.998 146.296 1.00737.35 C ATOM 32923 C6 A 01588 154.516 14.254 146.885 1.00737.35 C ATOM 32924 N6 A 01588 153.301 14.777 147.063 1.00737.35 N ATOM 32925 N1 A 01588 155.592 14.963 147.293 1.00737.35 N ATOM 32926 C2 A 01588 156.808 14.436 147.117 1.00737.35 C ATOM 32927 N3 A 01588 157.155 13.271 146.577 1.00737.35 N ATOM 32928 C4 A 01588 156.064 12.590 146.180 1.00737.35 C ATOM 32929 P G 01589 156.924 6.520 147.919 1.00737.35 P ATOM 32930 O1P G 01589 157.729 5.304 148.199 1.00737.35 O ATOM 32931 O2P G 01589 155.442 6.422 147.871 1.00737.35 O ATOM 32932 O5* G 01589 157.313 7.634 148.987 1.00737.35 O ATOM 32933 C5* G 01589 158.679 7.936 149.269 1.00737.35 C ATOM 32934 C4* G 01589 158.775 9.113 150.214 1.00737.35 C ATOM 32935 O4* G 01589 158.216 10.289 149.575 1.00737.35 O ATOM 32936 C3* G 01589 157.995 8.979 151.513 1.00737.35 C ATOM 32937 O3* G 01589 158.749 8.272 152.491 1.00737.35 O ATOM 32938 C2* G 01589 157.774 10.436 151.909 1.00737.35 C ATOM 32939 O2* G 01589 158.895 11.012 152.552 1.00737.35 O ATOM 32940 C1* G 01589 157.566 11.095 150.543 1.00737.35 C ATOM 32941 N9 G 01589 156.160 11.233 150.166 1.00737.35 N ATOM 32942 C8 G 01589 155.385 10.317 149.493 1.00737.35 C ATOM 32943 N7 G 01589 154.161 10.728 149.297 1.00737.35 N ATOM 32944 C5 G 01589 154.123 11.989 149.876 1.00737.35 C ATOM 32945 C6 G 01589 153.059 12.924 149.977 1.00737.35 C ATOM 32946 O6 G 01589 151.900 12.820 149.560 1.00737.35 O ATOM 32947 N1 G 01589 153.455 14.078 150.644 1.00737.35 N ATOM 32948 C2 G 01589 154.711 14.307 151.152 1.00737.35 C ATOM 32949 N2 G 01589 154.893 15.485 151.765 1.00737.35 N ATOM 32950 N3 G 01589 155.711 13.446 151.063 1.00737.35 N ATOM 32951 C4 G 01589 155.349 12.317 150.417 1.00737.35 C ATOM 32952 P C 01590 158.012 7.237 153.477 1.00737.35 P ATOM 32953 O1P C 01590 159.033 6.735 154.431 1.00737.35 O ATOM 32954 O2P C 01590 157.239 6.274 152.652 1.00737.35 O ATOM 32955 O5* C 01590 156.976 8.142 154.284 1.00737.35 O ATOM 32956 C5* C 01590 157.428 9.155 155.182 1.00737.35 C ATOM 32957 C4* C 01590 156.258 9.972 155.680 1.00737.35 C ATOM 32958 O4* C 01590 155.639 10.655 154.558 1.00737.35 O ATOM 32959 C3* C 01590 155.126 9.181 156.317 1.00737.35 C ATOM 32960 O3* C 01590 155.395 8.928 157.692 1.00737.35 O ATOM 32961 C2* C 01590 153.934 10.110 156.125 1.00737.35 C ATOM 32962 O2* C 01590 153.869 11.142 157.093 1.00737.35 O ATOM 32963 C1* C 01590 154.232 10.708 154.749 1.00737.35 C ATOM 32964 N1 C 01590 153.575 9.996 153.635 1.00737.35 N ATOM 32965 C2 C 01590 152.277 10.379 153.254 1.00737.35 C ATOM 32966 O2 C 01590 151.713 11.304 153.865 1.00737.35 O ATOM 32967 N3 C 01590 151.671 9.728 152.234 1.00737.35 N ATOM 32968 C4 C 01590 152.300 8.736 151.604 1.00737.35 C ATOM 32969 N4 C 01590 151.660 8.122 150.606 1.00737.35 N ATOM 32970 C5 C 01590 153.615 8.327 151.967 1.00737.35 C ATOM 32971 C6 C 01590 154.210 8.978 152.977 1.00737.35 C ATOM 32972 P U 01591 154.890 7.557 158.367 1.00737.35 P ATOM 32973 O1P U 01591 155.484 7.495 159.728 1.00737.35 O ATOM 32974 O2P U 01591 155.130 6.444 157.411 1.00737.35 O ATOM 32975 O5* U 01591 153.315 7.754 158.515 1.00737.35 O ATOM 32976 C5* U 01591 152.775 8.640 159.492 1.00737.35 C ATOM 32977 C4* U 01591 151.264 8.577 159.479 1.00737.35 C ATOM 32978 O4* U 01591 150.772 9.055 158.198 1.00737.35 O ATOM 32979 C3* U 01591 150.658 7.189 159.622 1.00737.35 C ATOM 32980 O3* U 01591 150.549 6.812 160.991 1.00737.35 O ATOM 32981 C2* U 01591 149.289 7.365 158.975 1.00737.35 C ATOM 32982 O2* U 01591 148.341 7.964 159.835 1.00737.35 O ATOM 32983 C1* U 01591 149.620 8.318 157.823 1.00737.35 C ATOM 32984 N1 U 01591 149.891 7.631 156.547 1.00737.35 N ATOM 32985 C2 U 01591 148.804 7.237 155.779 1.00737.35 C ATOM 32986 O2 U 01591 147.646 7.435 156.111 1.00737.35 O ATOM 32987 N3 U 01591 149.126 6.603 154.603 1.00737.35 N ATOM 32988 C4 U 01591 150.392 6.327 154.126 1.00737.35 C ATOM 32989 O4 U 01591 150.518 5.749 153.044 1.00737.35 O ATOM 32990 C5 U 01591 151.458 6.761 154.973 1.00737.35 C ATOM 32991 C6 U 01591 151.180 7.381 156.127 1.00737.35 C ATOM 32992 P U 01592 150.776 5.278 161.418 1.00737.35 P ATOM 32993 O1P U 01592 150.437 5.164 162.859 1.00737.35 O ATOM 32994 O2P U 01592 152.120 4.855 160.945 1.00737.35 O ATOM 32995 O5* U 01592 149.681 4.474 160.582 1.00737.35 O ATOM 32996 C5* U 01592 148.288 4.696 160.794 1.00737.35 C ATOM 32997 C4* U 01592 147.480 4.062 159.685 1.00737.35 C ATOM 32998 O4* U 01592 147.845 4.670 158.418 1.00737.35 O ATOM 32999 C3* U 01592 147.705 2.574 159.467 1.00737.35 C ATOM 33000 O3* U 01592 146.898 1.801 160.352 1.00737.35 O ATOM 33001 C2* U 01592 147.288 2.396 158.011 1.00737.35 C ATOM 33002 O2* U 01592 145.887 2.303 157.841 1.00737.35 O ATOM 33003 C1* U 01592 147.800 3.697 157.387 1.00737.35 C ATOM 33004 N1 U 01592 149.141 3.576 156.791 1.00737.35 N ATOM 33005 C2 U 01592 149.229 3.157 155.469 1.00737.35 C ATOM 33006 O2 U 01592 148.251 2.891 154.788 1.00737.35 O ATOM 33007 N3 U 01592 150.506 3.063 154.976 1.00737.35 N ATOM 33008 C4 U 01592 151.680 3.337 155.646 1.00737.35 C ATOM 33009 O4 U 01592 152.757 3.203 155.059 1.00737.35 O ATOM 33010 C5 U 01592 151.510 3.763 156.999 1.00737.35 C ATOM 33011 C6 U 01592 150.281 3.866 157.514 1.00737.35 C ATOM 33012 P C 01593 147.361 0.314 160.760 1.00737.35 P ATOM 33013 O1P C 01593 146.423 -0.163 161.810 1.00737.35 O ATOM 33014 O2P C 01593 148.820 0.333 161.036 1.00737.35 O ATOM 33015 O5* C 01593 147.112 -0.547 159.443 1.00737.35 O ATOM 33016 C5* C 01593 145.811 -0.647 158.867 1.00737.35 C ATOM 33017 C4* C 01593 145.877 -1.364 157.538 1.00737.35 C ATOM 33018 O4* C 01593 146.741 -0.618 156.638 1.00737.35 O ATOM 33019 C3* C 01593 146.477 -2.762 157.562 1.00737.35 C ATOM 33020 O3* C 01593 145.496 -3.733 157.913 1.00737.35 O ATOM 33021 C2* C 01593 146.959 -2.929 156.126 1.00737.35 C ATOM 33022 O2* C 01593 145.925 -3.285 155.229 1.00737.35 O ATOM 33023 C1* C 01593 147.462 -1.520 155.809 1.00737.35 C ATOM 33024 N1 C 01593 148.909 -1.343 156.054 1.00737.35 N ATOM 33025 C2 C 01593 149.821 -1.794 155.085 1.00737.35 C ATOM 33026 O2 C 01593 149.390 -2.328 154.049 1.00737.35 O ATOM 33027 N3 C 01593 151.147 -1.638 155.303 1.00737.35 N ATOM 33028 C4 C 01593 151.576 -1.062 156.429 1.00737.35 C ATOM 33029 N4 C 01593 152.892 -0.930 156.602 1.00737.35 N ATOM 33030 C5 C 01593 150.674 -0.596 157.428 1.00737.35 C ATOM 33031 C6 C 01593 149.362 -0.755 157.204 1.00737.35 C ATOM 33032 P U 01594 145.955 -5.219 158.328 1.00737.35 P ATOM 33033 O1P U 01594 144.735 -5.956 158.745 1.00737.35 O ATOM 33034 O2P U 01594 147.105 -5.117 159.262 1.00737.35 O ATOM 33035 O5* U 01594 146.466 -5.852 156.958 1.00737.35 O ATOM 33036 C5* U 01594 147.321 -6.994 156.945 1.00737.35 C ATOM 33037 C4* U 01594 147.451 -7.531 155.540 1.00737.35 C ATOM 33038 O4* U 01594 147.876 -6.462 154.653 1.00737.35 O ATOM 33039 C3* U 01594 148.493 -8.621 155.345 1.00737.35 C ATOM 33040 O3* U 01594 147.962 -9.901 155.676 1.00737.35 O ATOM 33041 C2* U 01594 148.817 -8.498 153.862 1.00737.35 C ATOM 33042 O2* U 01594 147.870 -9.137 153.029 1.00737.35 O ATOM 33043 C1* U 01594 148.748 -6.981 153.660 1.00737.35 C ATOM 33044 N1 U 01594 150.053 -6.308 153.784 1.00737.35 N ATOM 33045 C2 U 01594 150.835 -6.197 152.642 1.00737.35 C ATOM 33046 O2 U 01594 150.491 -6.629 151.552 1.00737.35 O ATOM 33047 N3 U 01594 152.038 -5.562 152.824 1.00737.35 N ATOM 33048 C4 U 01594 152.532 -5.035 154.000 1.00737.35 C ATOM 33049 O4 U 01594 153.638 -4.493 154.003 1.00737.35 O ATOM 33050 C5 U 01594 151.669 -5.187 155.132 1.00737.35 C ATOM 33051 C6 U 01594 150.490 -5.803 154.990 1.00737.35 C ATOM 33052 P A 01595 148.961 -11.119 156.015 1.00737.35 P ATOM 33053 O1P A 01595 148.176 -12.130 156.768 1.00737.35 O ATOM 33054 O2P A 01595 150.205 -10.565 156.612 1.00737.35 O ATOM 33055 O5* A 01595 149.323 -11.727 154.588 1.00737.35 O ATOM 33056 C5* A 01595 148.392 -12.547 153.882 1.00737.35 C ATOM 33057 C4* A 01595 149.018 -13.087 152.614 1.00737.35 C ATOM 33058 O4* A 01595 149.290 -11.991 151.703 1.00737.35 O ATOM 33059 C3* A 01595 150.361 -13.781 152.777 1.00737.35 C ATOM 33060 O3* A 01595 150.196 -15.142 153.165 1.00737.35 O ATOM 33061 C2* A 01595 150.956 -13.658 151.381 1.00737.35 C ATOM 33062 O2* A 01595 150.468 -14.634 150.480 1.00737.35 O ATOM 33063 C1* A 01595 150.465 -12.272 150.959 1.00737.35 C ATOM 33064 N9 A 01595 151.442 -11.209 151.207 1.00737.35 N ATOM 33065 C8 A 01595 151.520 -10.363 152.287 1.00737.35 C ATOM 33066 N7 A 01595 152.516 -9.513 152.221 1.00737.35 N ATOM 33067 C5 A 01595 153.135 -9.818 151.016 1.00737.35 C ATOM 33068 C6 A 01595 154.258 -9.274 150.367 1.00737.35 C ATOM 33069 N6 A 01595 154.984 -8.268 150.859 1.00737.35 N ATOM 33070 N1 A 01595 154.612 -9.807 149.176 1.00737.35 N ATOM 33071 C2 A 01595 153.883 -10.816 148.683 1.00737.35 C ATOM 33072 N3 A 01595 152.811 -11.411 149.200 1.00737.35 N ATOM 33073 C4 A 01595 152.483 -10.859 150.382 1.00737.35 C ATOM 33074 P A 01596 151.215 -15.800 154.222 1.00737.35 P ATOM 33075 O1P A 01596 150.906 -17.250 154.291 1.00737.35 O ATOM 33076 O2P A 01596 151.191 -14.982 155.463 1.00737.35 O ATOM 33077 O5* A 01596 152.647 -15.624 153.541 1.00737.35 O ATOM 33078 C5* A 01596 152.982 -16.326 152.347 1.00737.35 C ATOM 33079 C4* A 01596 154.278 -15.797 151.770 1.00737.35 C ATOM 33080 O4* A 01596 154.102 -14.404 151.397 1.00737.35 O ATOM 33081 C3* A 01596 155.468 -15.782 152.719 1.00737.35 C ATOM 33082 O3* A 01596 156.121 -17.046 152.745 1.00737.35 O ATOM 33083 C2* A 01596 156.352 -14.702 152.108 1.00737.35 C ATOM 33084 O2* A 01596 157.117 -15.163 151.012 1.00737.35 O ATOM 33085 C1* A 01596 155.308 -13.692 151.626 1.00737.35 C ATOM 33086 N9 A 01596 155.043 -12.624 152.594 1.00737.35 N ATOM 33087 C8 A 01596 154.044 -12.560 153.534 1.00737.35 C ATOM 33088 N7 A 01596 154.071 -11.469 154.261 1.00737.35 N ATOM 33089 C5 A 01596 155.162 -10.766 153.766 1.00737.35 C ATOM 33090 C6 A 01596 155.725 -9.525 154.115 1.00737.35 C ATOM 33091 N6 A 01596 155.247 -8.742 155.084 1.00737.35 N ATOM 33092 N1 A 01596 156.810 -9.113 153.425 1.00737.35 N ATOM 33093 C2 A 01596 157.289 -9.900 152.453 1.00737.35 C ATOM 33094 N3 A 01596 156.849 -11.083 152.032 1.00737.35 N ATOM 33095 C4 A 01596 155.770 -11.466 152.737 1.00737.35 C ATOM 33096 P A 01597 156.790 -17.572 154.109 1.00737.35 P ATOM 33097 O1P A 01597 157.514 -18.831 153.791 1.00737.35 O ATOM 33098 O2P A 01597 155.753 -17.570 155.171 1.00737.35 O ATOM 33099 O5* A 01597 157.870 -16.453 154.465 1.00737.35 O ATOM 33100 C5* A 01597 159.009 -16.237 153.633 1.00737.35 C ATOM 33101 C4* A 01597 159.785 -15.029 154.108 1.00737.35 C ATOM 33102 O4* A 01597 158.955 -13.843 153.983 1.00737.35 O ATOM 33103 C3* A 01597 160.205 -15.047 155.570 1.00737.35 C ATOM 33104 O3* A 01597 161.422 -15.766 155.738 1.00737.35 O ATOM 33105 C2* A 01597 160.365 -13.562 155.878 1.00737.35 C ATOM 33106 O2* A 01597 161.603 -13.036 155.444 1.00737.35 O ATOM 33107 C1* A 01597 159.226 -12.954 155.054 1.00737.35 C ATOM 33108 N9 A 01597 157.990 -12.755 155.813 1.00737.35 N ATOM 33109 C8 A 01597 156.946 -13.638 155.972 1.00737.35 C ATOM 33110 N7 A 01597 155.969 -13.171 156.712 1.00737.35 N ATOM 33111 C5 A 01597 156.395 -11.896 157.064 1.00737.35 C ATOM 33112 C6 A 01597 155.806 -10.886 157.843 1.00737.35 C ATOM 33113 N6 A 01597 154.612 -11.003 158.428 1.00737.35 N ATOM 33114 N1 A 01597 156.495 -9.734 158.002 1.00737.35 N ATOM 33115 C2 A 01597 157.691 -9.617 157.413 1.00737.35 C ATOM 33116 N3 A 01597 158.349 -10.495 156.657 1.00737.35 N ATOM 33117 C4 A 01597 157.639 -11.628 156.519 1.00737.35 C ATOM 33118 P C 01598 161.706 -16.549 157.116 1.00737.35 P ATOM 33119 O1P C 01598 162.881 -17.428 156.886 1.00737.35 O ATOM 33120 O2P C 01598 160.432 -17.142 157.598 1.00737.35 O ATOM 33121 O5* C 01598 162.134 -15.398 158.132 1.00737.35 O ATOM 33122 C5* C 01598 163.377 -14.713 157.983 1.00737.35 C ATOM 33123 C4* C 01598 163.421 -13.498 158.882 1.00737.35 C ATOM 33124 O4* C 01598 162.369 -12.576 158.491 1.00737.35 O ATOM 33125 C3* C 01598 163.163 -13.758 160.360 1.00737.35 C ATOM 33126 O3* C 01598 164.356 -14.154 161.031 1.00737.35 O ATOM 33127 C2* C 01598 162.670 -12.399 160.841 1.00737.35 C ATOM 33128 O2* C 01598 163.719 -11.481 161.082 1.00737.35 O ATOM 33129 C1* C 01598 161.842 -11.935 159.641 1.00737.35 C ATOM 33130 N1 C 01598 160.406 -12.273 159.758 1.00737.35 N ATOM 33131 C2 C 01598 159.546 -11.369 160.404 1.00737.35 C ATOM 33132 O2 C 01598 160.009 -10.310 160.860 1.00737.35 O ATOM 33133 N3 C 01598 158.233 -11.676 160.516 1.00737.35 N ATOM 33134 C4 C 01598 157.769 -12.825 160.019 1.00737.35 C ATOM 33135 N4 C 01598 156.468 -13.085 160.155 1.00737.35 N ATOM 33136 C5 C 01598 158.621 -13.757 159.357 1.00737.35 C ATOM 33137 C6 C 01598 159.918 -13.445 159.251 1.00737.35 C ATOM 33138 P G 01599 164.297 -15.314 162.144 1.00737.35 P ATOM 33139 O1P G 01599 165.610 -15.322 162.841 1.00737.35 O ATOM 33140 O2P G 01599 163.804 -16.557 161.497 1.00737.35 O ATOM 33141 O5* G 01599 163.189 -14.816 163.177 1.00737.35 O ATOM 33142 C5* G 01599 163.321 -13.565 163.850 1.00737.35 C ATOM 33143 C4* G 01599 161.994 -13.141 164.438 1.00737.35 C ATOM 33144 O4* G 01599 161.014 -13.029 163.369 1.00737.35 O ATOM 33145 C3* G 01599 161.365 -14.111 165.426 1.00737.35 C ATOM 33146 O3* G 01599 161.883 -13.897 166.736 1.00737.35 O ATOM 33147 C2* G 01599 159.885 -13.758 165.330 1.00737.35 C ATOM 33148 O2* G 01599 159.536 -12.618 166.090 1.00737.35 O ATOM 33149 C1* G 01599 159.743 -13.449 163.838 1.00737.35 C ATOM 33150 N9 G 01599 159.312 -14.596 163.044 1.00737.35 N ATOM 33151 C8 G 01599 160.112 -15.491 162.372 1.00737.35 C ATOM 33152 N7 G 01599 159.438 -16.417 161.748 1.00737.35 N ATOM 33153 C5 G 01599 158.108 -16.118 162.022 1.00737.35 C ATOM 33154 C6 G 01599 156.918 -16.772 161.616 1.00737.35 C ATOM 33155 O6 G 01599 156.792 -17.779 160.908 1.00737.35 O ATOM 33156 N1 G 01599 155.787 -16.138 162.120 1.00737.35 N ATOM 33157 C2 G 01599 155.801 -15.017 162.914 1.00737.35 C ATOM 33158 N2 G 01599 154.602 -14.555 163.304 1.00737.35 N ATOM 33159 N3 G 01599 156.903 -14.398 163.301 1.00737.35 N ATOM 33160 C4 G 01599 158.013 -14.998 162.821 1.00737.35 C ATOM 33161 P U 01600 161.665 -15.012 167.876 1.00737.35 P ATOM 33162 O1P U 01600 162.451 -14.582 169.060 1.00737.35 O ATOM 33163 O2P U 01600 161.907 -16.354 167.284 1.00737.35 O ATOM 33164 O5* U 01600 160.118 -14.891 168.237 1.00737.35 O ATOM 33165 C5* U 01600 159.593 -15.496 169.415 1.00737.35 C ATOM 33166 C4* U 01600 158.173 -15.037 169.648 1.00737.35 C ATOM 33167 O4* U 01600 157.355 -15.406 168.506 1.00737.35 O ATOM 33168 C3* U 01600 157.472 -15.681 170.834 1.00737.35 C ATOM 33169 O3* U 01600 157.779 -14.987 172.040 1.00737.35 O ATOM 33170 C2* U 01600 156.002 -15.540 170.459 1.00737.35 C ATOM 33171 O2* U 01600 155.477 -14.255 170.738 1.00737.35 O ATOM 33172 C1* U 01600 156.052 -15.761 168.946 1.00737.35 C ATOM 33173 N1 U 01600 155.778 -17.151 168.544 1.00737.35 N ATOM 33174 C2 U 01600 154.456 -17.513 168.319 1.00737.35 C ATOM 33175 O2 U 01600 153.521 -16.734 168.436 1.00737.35 O ATOM 33176 N3 U 01600 154.270 -18.822 167.949 1.00737.35 N ATOM 33177 C4 U 01600 155.241 -19.788 167.786 1.00737.35 C ATOM 33178 O4 U 01600 154.911 -20.927 167.450 1.00737.35 O ATOM 33179 C5 U 01600 156.578 -19.340 168.034 1.00737.35 C ATOM 33180 C6 U 01600 156.794 -18.070 168.395 1.00737.35 C ATOM 33181 P U 01601 158.387 -15.792 173.291 1.00737.35 P ATOM 33182 O1P U 01601 159.773 -16.186 172.928 1.00737.35 O ATOM 33183 O2P U 01601 157.411 -16.835 173.698 1.00737.35 O ATOM 33184 O5* U 01601 158.479 -14.711 174.462 1.00737.35 O ATOM 33185 C5* U 01601 158.143 -13.343 174.239 1.00737.35 C ATOM 33186 C4* U 01601 158.664 -12.484 175.369 1.00737.35 C ATOM 33187 O4* U 01601 158.043 -12.909 176.612 1.00737.35 O ATOM 33188 C3* U 01601 160.157 -12.585 175.635 1.00737.35 C ATOM 33189 O3* U 01601 160.876 -11.688 174.793 1.00737.35 O ATOM 33190 C2* U 01601 160.256 -12.171 177.099 1.00737.35 C ATOM 33191 O2* U 01601 160.241 -10.770 177.285 1.00737.35 O ATOM 33192 C1* U 01601 158.973 -12.781 177.676 1.00737.35 C ATOM 33193 N1 U 01601 159.169 -14.104 178.292 1.00737.35 N ATOM 33194 C2 U 01601 159.520 -14.150 179.635 1.00737.35 C ATOM 33195 O2 U 01601 159.674 -13.149 180.321 1.00737.35 O ATOM 33196 N3 U 01601 159.684 -15.412 180.149 1.00737.35 N ATOM 33197 C4 U 01601 159.539 -16.610 179.478 1.00737.35 C ATOM 33198 O4 U 01601 159.722 -17.667 180.084 1.00737.35 O ATOM 33199 C5 U 01601 159.179 -16.482 178.099 1.00737.35 C ATOM 33200 C6 U 01601 159.011 -15.267 177.568 1.00737.35 C ATOM 33201 P G 01602 162.202 -12.189 174.032 1.00737.35 P ATOM 33202 O1P G 01602 161.781 -13.172 173.002 1.00737.35 O ATOM 33203 O2P G 01602 163.207 -12.582 175.052 1.00737.35 O ATOM 33204 O5* G 01602 162.731 -10.884 173.287 1.00737.35 O ATOM 33205 C5* G 01602 161.842 -10.072 172.523 1.00737.35 C ATOM 33206 C4* G 01602 161.717 -8.702 173.149 1.00737.35 C ATOM 33207 O4* G 01602 161.321 -8.861 174.537 1.00737.35 O ATOM 33208 C3* G 01602 162.997 -7.881 173.210 1.00737.35 C ATOM 33209 O3* G 01602 163.179 -7.150 171.999 1.00737.35 O ATOM 33210 C2* G 01602 162.736 -6.960 174.395 1.00737.35 C ATOM 33211 O2* G 01602 161.929 -5.844 174.067 1.00737.35 O ATOM 33212 C1* G 01602 161.972 -7.891 175.340 1.00737.35 C ATOM 33213 N9 G 01602 162.817 -8.590 176.305 1.00737.35 N ATOM 33214 C8 G 01602 163.958 -9.310 176.043 1.00737.35 C ATOM 33215 N7 G 01602 164.501 -9.823 177.115 1.00737.35 N ATOM 33216 C5 G 01602 163.667 -9.417 178.148 1.00737.35 C ATOM 33217 C6 G 01602 163.744 -9.669 179.543 1.00737.35 C ATOM 33218 O6 G 01602 164.595 -10.317 180.162 1.00737.35 O ATOM 33219 N1 G 01602 162.690 -9.076 180.228 1.00737.35 N ATOM 33220 C2 G 01602 161.690 -8.332 179.651 1.00737.35 C ATOM 33221 N2 G 01602 160.760 -7.845 180.483 1.00737.35 N ATOM 33222 N3 G 01602 161.609 -8.086 178.352 1.00737.35 N ATOM 33223 C4 G 01602 162.622 -8.655 177.666 1.00737.35 C ATOM 33224 P A 01603 164.637 -6.609 171.599 1.00737.35 P ATOM 33225 O1P A 01603 165.495 -7.795 171.332 1.00737.35 O ATOM 33226 O2P A 01603 165.059 -5.617 172.623 1.00737.35 O ATOM 33227 O5* A 01603 164.394 -5.834 170.228 1.00737.35 O ATOM 33228 C5* A 01603 164.486 -6.505 168.973 1.00737.35 C ATOM 33229 C4* A 01603 163.340 -6.102 168.072 1.00737.35 C ATOM 33230 O4* A 01603 162.090 -6.556 168.655 1.00737.35 O ATOM 33231 C3* A 01603 163.142 -4.607 167.871 1.00737.35 C ATOM 33232 O3* A 01603 163.986 -4.108 166.837 1.00737.35 O ATOM 33233 C2* A 01603 161.670 -4.526 167.487 1.00737.35 C ATOM 33234 O2* A 01603 161.430 -4.833 166.128 1.00737.35 O ATOM 33235 C1* A 01603 161.063 -5.616 168.376 1.00737.35 C ATOM 33236 N9 A 01603 160.542 -5.108 169.647 1.00737.35 N ATOM 33237 C8 A 01603 161.149 -5.122 170.880 1.00737.35 C ATOM 33238 N7 A 01603 160.424 -4.592 171.834 1.00737.35 N ATOM 33239 C5 A 01603 159.261 -4.200 171.187 1.00737.35 C ATOM 33240 C6 A 01603 158.090 -3.570 171.647 1.00737.35 C ATOM 33241 N6 A 01603 157.890 -3.212 172.918 1.00737.35 N ATOM 33242 N1 A 01603 157.118 -3.317 170.743 1.00737.35 N ATOM 33243 C2 A 01603 157.318 -3.678 169.469 1.00737.35 C ATOM 33244 N3 A 01603 158.371 -4.273 168.918 1.00737.35 N ATOM 33245 C4 A 01603 159.319 -4.509 169.840 1.00737.35 C ATOM 33246 P A 01604 164.360 -2.543 166.794 1.00737.35 P ATOM 33247 O1P A 01604 165.324 -2.351 165.681 1.00737.35 O ATOM 33248 O2P A 01604 164.729 -2.109 168.166 1.00737.35 O ATOM 33249 O5* A 01604 162.991 -1.831 166.398 1.00737.35 O ATOM 33250 C5* A 01604 162.412 -2.019 165.106 1.00737.35 C ATOM 33251 C4* A 01604 161.046 -1.378 165.042 1.00737.35 C ATOM 33252 O4* A 01604 160.165 -2.021 166.001 1.00737.35 O ATOM 33253 C3* A 01604 160.983 0.098 165.410 1.00737.35 C ATOM 33254 O3* A 01604 161.311 0.924 164.296 1.00737.35 O ATOM 33255 C2* A 01604 159.526 0.264 165.822 1.00737.35 C ATOM 33256 O2* A 01604 158.649 0.406 164.721 1.00737.35 O ATOM 33257 C1* A 01604 159.258 -1.066 166.531 1.00737.35 C ATOM 33258 N9 A 01604 159.453 -0.992 167.983 1.00737.35 N ATOM 33259 C8 A 01604 160.554 -1.364 168.714 1.00737.35 C ATOM 33260 N7 A 01604 160.422 -1.171 170.003 1.00737.35 N ATOM 33261 C5 A 01604 159.148 -0.636 170.132 1.00737.35 C ATOM 33262 C6 A 01604 158.408 -0.214 171.252 1.00737.35 C ATOM 33263 N6 A 01604 158.866 -0.267 172.504 1.00737.35 N ATOM 33264 N1 A 01604 157.165 0.272 171.036 1.00737.35 N ATOM 33265 C2 A 01604 156.708 0.323 169.779 1.00737.35 C ATOM 33266 N3 A 01604 157.305 -0.042 168.647 1.00737.35 N ATOM 33267 C4 A 01604 158.539 -0.520 168.897 1.00737.35 C ATOM 33268 P A 01605 162.112 2.300 164.530 1.00737.35 P ATOM 33269 O1P A 01605 162.100 3.041 163.245 1.00737.35 O ATOM 33270 O2P A 01605 163.405 1.981 165.183 1.00737.35 O ATOM 33271 O5* A 01605 161.211 3.099 165.575 1.00737.35 O ATOM 33272 C5* A 01605 159.900 3.542 165.231 1.00737.35 C ATOM 33273 C4* A 01605 159.170 4.036 166.458 1.00737.35 C ATOM 33274 O4* A 01605 159.011 2.940 167.397 1.00737.35 O ATOM 33275 C3* A 01605 159.880 5.119 167.259 1.00737.35 C ATOM 33276 O3* A 01605 159.621 6.408 166.713 1.00737.35 O ATOM 33277 C2* A 01605 159.267 4.950 168.645 1.00737.35 C ATOM 33278 O2* A 01605 157.999 5.561 168.771 1.00737.35 O ATOM 33279 C1* A 01605 159.116 3.429 168.726 1.00737.35 C ATOM 33280 N9 A 01605 160.247 2.761 169.376 1.00737.35 N ATOM 33281 C8 A 01605 161.339 2.173 168.780 1.00737.35 C ATOM 33282 N7 A 01605 162.188 1.651 169.632 1.00737.35 N ATOM 33283 C5 A 01605 161.622 1.912 170.871 1.00737.35 C ATOM 33284 C6 A 01605 162.035 1.615 172.182 1.00737.35 C ATOM 33285 N6 A 01605 163.163 0.962 172.471 1.00737.35 N ATOM 33286 N1 A 01605 161.242 2.015 173.199 1.00737.35 N ATOM 33287 C2 A 01605 160.111 2.670 172.907 1.00737.35 C ATOM 33288 N3 A 01605 159.614 3.007 171.719 1.00737.35 N ATOM 33289 C4 A 01605 160.426 2.596 170.730 1.00737.35 C ATOM 33290 P C 01606 160.652 7.612 166.985 1.00737.35 P ATOM 33291 O1P C 01606 160.187 8.778 166.189 1.00737.35 O ATOM 33292 O2P C 01606 162.035 7.103 166.797 1.00737.35 O ATOM 33293 O5* C 01606 160.450 7.949 168.529 1.00737.35 O ATOM 33294 C5* C 01606 159.218 8.487 169.007 1.00737.35 C ATOM 33295 C4* C 01606 159.222 8.548 170.517 1.00737.35 C ATOM 33296 O4* C 01606 159.313 7.202 171.053 1.00737.35 O ATOM 33297 C3* C 01606 160.393 9.282 171.145 1.00737.35 C ATOM 33298 O3* C 01606 160.161 10.689 171.186 1.00737.35 O ATOM 33299 C2* C 01606 160.445 8.673 172.540 1.00737.35 C ATOM 33300 O2* C 01606 159.500 9.233 173.430 1.00737.35 O ATOM 33301 C1* C 01606 160.086 7.215 172.247 1.00737.35 C ATOM 33302 N1 C 01606 161.262 6.342 172.062 1.00737.35 N ATOM 33303 C2 C 01606 161.853 5.750 173.191 1.00737.35 C ATOM 33304 O2 C 01606 161.370 5.974 174.316 1.00737.35 O ATOM 33305 N3 C 01606 162.933 4.953 173.028 1.00737.35 N ATOM 33306 C4 C 01606 163.426 4.737 171.808 1.00737.35 C ATOM 33307 N4 C 01606 164.494 3.942 171.697 1.00737.35 N ATOM 33308 C5 C 01606 162.849 5.323 170.644 1.00737.35 C ATOM 33309 C6 C 01606 161.779 6.113 170.815 1.00737.35 C ATOM 33310 P A 01607 161.405 11.704 171.142 1.00737.35 P ATOM 33311 O1P A 01607 160.851 13.082 171.120 1.00737.35 O ATOM 33312 O2P A 01607 162.331 11.271 170.065 1.00737.35 O ATOM 33313 O5* A 01607 162.132 11.476 172.543 1.00737.35 O ATOM 33314 C5* A 01607 161.564 11.976 173.753 1.00737.35 C ATOM 33315 C4* A 01607 162.467 11.666 174.926 1.00737.35 C ATOM 33316 O4* A 01607 162.511 10.232 175.143 1.00737.35 O ATOM 33317 C3* A 01607 163.924 12.065 174.767 1.00737.35 C ATOM 33318 O3* A 01607 164.120 13.440 175.081 1.00737.35 O ATOM 33319 C2* A 01607 164.622 11.144 175.761 1.00737.35 C ATOM 33320 O2* A 01607 164.553 11.610 177.094 1.00737.35 O ATOM 33321 C1* A 01607 163.797 9.862 175.619 1.00737.35 C ATOM 33322 N9 A 01607 164.379 8.893 174.687 1.00737.35 N ATOM 33323 C8 A 01607 164.099 8.725 173.350 1.00737.35 C ATOM 33324 N7 A 01607 164.789 7.768 172.781 1.00737.35 N ATOM 33325 C5 A 01607 165.579 7.272 173.809 1.00737.35 C ATOM 33326 C6 A 01607 166.536 6.242 173.853 1.00737.35 C ATOM 33327 N6 A 01607 166.874 5.499 172.796 1.00737.35 N ATOM 33328 N1 A 01607 167.144 6.000 175.033 1.00737.35 N ATOM 33329 C2 A 01607 166.807 6.745 176.092 1.00737.35 C ATOM 33330 N3 A 01607 165.924 7.738 176.178 1.00737.35 N ATOM 33331 C4 A 01607 165.338 7.954 174.985 1.00737.35 C ATOM 33332 P U 01608 165.322 14.255 174.388 1.00737.35 P ATOM 33333 O1P U 01608 165.166 15.679 174.773 1.00737.35 O ATOM 33334 O2P U 01608 165.375 13.887 172.948 1.00737.35 O ATOM 33335 O5* U 01608 166.629 13.681 175.095 1.00737.35 O ATOM 33336 C5* U 01608 166.915 13.986 176.461 1.00737.35 C ATOM 33337 C4* U 01608 168.195 13.310 176.895 1.00737.35 C ATOM 33338 O4* U 01608 168.019 11.871 176.873 1.00737.35 O ATOM 33339 C3* U 01608 169.410 13.548 176.013 1.00737.35 C ATOM 33340 O3* U 01608 170.044 14.785 176.326 1.00737.35 O ATOM 33341 C2* U 01608 170.290 12.350 176.349 1.00737.35 C ATOM 33342 O2* U 01608 171.020 12.516 177.548 1.00737.35 O ATOM 33343 C1* U 01608 169.246 11.246 176.526 1.00737.35 C ATOM 33344 N1 U 01608 169.040 10.431 175.316 1.00737.35 N ATOM 33345 C2 U 01608 169.854 9.321 175.136 1.00737.35 C ATOM 33346 O2 U 01608 170.718 8.993 175.931 1.00737.35 O ATOM 33347 N3 U 01608 169.614 8.609 173.986 1.00737.35 N ATOM 33348 C4 U 01608 168.668 8.879 173.019 1.00737.35 C ATOM 33349 O4 U 01608 168.580 8.141 172.037 1.00737.35 O ATOM 33350 C5 U 01608 167.869 10.037 173.273 1.00737.35 C ATOM 33351 C6 U 01608 168.074 10.755 174.382 1.00737.35 C ATOM 33352 P G 01609 170.957 15.516 175.224 1.00737.35 P ATOM 33353 O1P G 01609 171.312 16.854 175.764 1.00737.35 O ATOM 33354 O2P G 01609 170.283 15.416 173.903 1.00737.35 O ATOM 33355 O5* G 01609 172.282 14.631 175.175 1.00737.35 O ATOM 33356 C5* G 01609 173.172 14.586 176.288 1.00737.35 C ATOM 33357 C4* G 01609 174.249 13.549 176.062 1.00737.35 C ATOM 33358 O4* G 01609 173.647 12.229 175.993 1.00737.35 O ATOM 33359 C3* G 01609 175.033 13.668 174.765 1.00737.35 C ATOM 33360 O3* G 01609 176.085 14.622 174.883 1.00737.35 O ATOM 33361 C2* G 01609 175.564 12.251 174.581 1.00737.35 C ATOM 33362 O2* G 01609 176.715 11.984 175.357 1.00737.35 O ATOM 33363 C1* G 01609 174.389 11.415 175.096 1.00737.35 C ATOM 33364 N9 G 01609 173.497 10.953 174.035 1.00737.35 N ATOM 33365 C8 G 01609 172.353 11.566 173.579 1.00737.35 C ATOM 33366 N7 G 01609 171.771 10.912 172.613 1.00737.35 N ATOM 33367 C5 G 01609 172.576 9.797 172.417 1.00737.35 C ATOM 33368 C6 G 01609 172.452 8.721 171.498 1.00737.35 C ATOM 33369 O6 G 01609 171.573 8.532 170.646 1.00737.35 O ATOM 33370 N1 G 01609 173.488 7.806 171.642 1.00737.35 N ATOM 33371 C2 G 01609 174.513 7.909 172.546 1.00737.35 C ATOM 33372 N2 G 01609 175.421 6.922 172.530 1.00737.35 N ATOM 33373 N3 G 01609 174.642 8.905 173.406 1.00737.35 N ATOM 33374 C4 G 01609 173.645 9.809 173.287 1.00737.35 C ATOM 33375 P A 01610 176.679 15.325 173.563 1.00737.35 P ATOM 33376 O1P A 01610 177.656 16.350 174.014 1.00737.35 O ATOM 33377 O2P A 01610 175.548 15.724 172.688 1.00737.35 O ATOM 33378 O5* A 01610 177.484 14.156 172.836 1.00737.35 O ATOM 33379 C5* A 01610 178.621 13.556 173.456 1.00737.35 C ATOM 33380 C4* A 01610 179.059 12.332 172.684 1.00737.35 C ATOM 33381 O4* A 01610 177.996 11.343 172.703 1.00737.35 O ATOM 33382 C3* A 01610 179.345 12.538 171.205 1.00737.35 C ATOM 33383 O3* A 01610 180.668 13.033 171.006 1.00737.35 O ATOM 33384 C2* A 01610 179.169 11.133 170.645 1.00737.35 C ATOM 33385 O2* A 01610 180.303 10.311 170.843 1.00737.35 O ATOM 33386 C1* A 01610 178.002 10.610 171.487 1.00737.35 C ATOM 33387 N9 A 01610 176.700 10.769 170.837 1.00737.35 N ATOM 33388 C8 A 01610 175.764 11.760 171.026 1.00737.35 C ATOM 33389 N7 A 01610 174.689 11.621 170.288 1.00737.35 N ATOM 33390 C5 A 01610 174.930 10.462 169.563 1.00737.35 C ATOM 33391 C6 A 01610 174.170 9.772 168.599 1.00737.35 C ATOM 33392 N6 A 01610 172.965 10.166 168.184 1.00737.35 N ATOM 33393 N1 A 01610 174.699 8.647 168.071 1.00737.35 N ATOM 33394 C2 A 01610 175.907 8.251 168.489 1.00737.35 C ATOM 33395 N3 A 01610 176.715 8.811 169.384 1.00737.35 N ATOM 33396 C4 A 01610 176.163 9.925 169.892 1.00737.35 C ATOM 33397 P U 01611 181.028 13.825 169.653 1.00737.35 P ATOM 33398 O1P U 01611 182.422 14.320 169.795 1.00737.35 O ATOM 33399 O2P U 01611 179.935 14.789 169.363 1.00737.35 O ATOM 33400 O5* U 01611 181.010 12.698 168.529 1.00737.35 O ATOM 33401 C5* U 01611 181.948 11.621 168.555 1.00737.35 C ATOM 33402 C4* U 01611 181.606 10.597 167.499 1.00737.35 C ATOM 33403 O4* U 01611 180.304 10.022 167.784 1.00737.35 O ATOM 33404 C3* U 01611 181.476 11.125 166.078 1.00737.35 C ATOM 33405 O3* U 01611 182.750 11.213 165.446 1.00737.35 O ATOM 33406 C2* U 01611 180.592 10.071 165.424 1.00737.35 C ATOM 33407 O2* U 01611 181.308 8.921 165.018 1.00737.35 O ATOM 33408 C1* U 01611 179.640 9.716 166.567 1.00737.35 C ATOM 33409 N1 U 01611 178.361 10.447 166.524 1.00737.35 N ATOM 33410 C2 U 01611 177.348 9.931 165.724 1.00737.35 C ATOM 33411 O2 U 01611 177.474 8.908 165.065 1.00737.35 O ATOM 33412 N3 U 01611 176.183 10.658 165.723 1.00737.35 N ATOM 33413 C4 U 01611 175.929 11.821 166.423 1.00737.35 C ATOM 33414 O4 U 01611 174.824 12.357 166.322 1.00737.35 O ATOM 33415 C5 U 01611 177.019 12.289 167.220 1.00737.35 C ATOM 33416 C6 U 01611 178.168 11.606 167.244 1.00737.35 C ATOM 33417 P U 01612 183.058 12.421 164.431 1.00737.35 P ATOM 33418 O1P U 01612 184.389 12.163 163.825 1.00737.35 O ATOM 33419 O2P U 01612 182.811 13.702 165.139 1.00737.35 O ATOM 33420 O5* U 01612 181.954 12.261 163.292 1.00737.35 O ATOM 33421 C5* U 01612 181.903 11.093 162.478 1.00737.35 C ATOM 33422 C4* U 01612 180.587 11.027 161.733 1.00737.35 C ATOM 33423 O4* U 01612 179.497 10.949 162.690 1.00737.35 O ATOM 33424 C3* U 01612 180.250 12.239 160.878 1.00737.35 C ATOM 33425 O3* U 01612 180.867 12.146 159.598 1.00737.35 O ATOM 33426 C2* U 01612 178.730 12.160 160.795 1.00737.35 C ATOM 33427 O2* U 01612 178.270 11.233 159.833 1.00737.35 O ATOM 33428 C1* U 01612 178.374 11.670 162.201 1.00737.35 C ATOM 33429 N1 U 01612 178.066 12.758 163.143 1.00737.35 N ATOM 33430 C2 U 01612 176.753 13.208 163.206 1.00737.35 C ATOM 33431 O2 U 01612 175.854 12.742 162.523 1.00737.35 O ATOM 33432 N3 U 01612 176.533 14.228 164.099 1.00737.35 N ATOM 33433 C4 U 01612 177.463 14.831 164.919 1.00737.35 C ATOM 33434 O4 U 01612 177.109 15.739 165.674 1.00737.35 O ATOM 33435 C5 U 01612 178.791 14.313 164.800 1.00737.35 C ATOM 33436 C6 U 01612 179.041 13.322 163.939 1.00737.35 C ATOM 33437 P G 01613 180.922 13.440 158.641 1.00737.35 P ATOM 33438 O1P G 01613 181.983 13.193 157.631 1.00737.35 O ATOM 33439 O2P G 01613 180.987 14.659 159.487 1.00737.35 O ATOM 33440 O5* G 01613 179.512 13.424 157.900 1.00737.35 O ATOM 33441 C5* G 01613 179.214 12.438 156.912 1.00737.35 C ATOM 33442 C4* G 01613 177.891 12.736 156.249 1.00737.35 C ATOM 33443 O4* G 01613 176.814 12.567 157.206 1.00737.35 O ATOM 33444 C3* G 01613 177.713 14.153 155.731 1.00737.35 C ATOM 33445 O3* G 01613 178.297 14.295 154.438 1.00737.35 O ATOM 33446 C2* G 01613 176.195 14.294 155.684 1.00737.35 C ATOM 33447 O2* G 01613 175.621 13.730 154.520 1.00737.35 O ATOM 33448 C1* G 01613 175.769 13.483 156.912 1.00737.35 C ATOM 33449 N9 G 01613 175.509 14.293 158.100 1.00737.35 N ATOM 33450 C8 G 01613 176.424 14.723 159.032 1.00737.35 C ATOM 33451 N7 G 01613 175.887 15.430 159.989 1.00737.35 N ATOM 33452 C5 G 01613 174.536 15.469 159.671 1.00737.35 C ATOM 33453 C6 G 01613 173.452 16.092 160.346 1.00737.35 C ATOM 33454 O6 G 01613 173.467 16.751 161.392 1.00737.35 O ATOM 33455 N1 G 01613 172.249 15.882 159.676 1.00737.35 N ATOM 33456 C2 G 01613 172.105 15.170 158.512 1.00737.35 C ATOM 33457 N2 G 01613 170.859 15.084 158.021 1.00737.35 N ATOM 33458 N3 G 01613 173.108 14.586 157.876 1.00737.35 N ATOM 33459 C4 G 01613 174.287 14.774 158.507 1.00737.35 C ATOM 33460 P C 01614 179.155 15.609 154.093 1.00737.35 P ATOM 33461 O1P C 01614 180.371 15.588 154.945 1.00737.35 O ATOM 33462 O2P C 01614 178.247 16.784 154.143 1.00737.35 O ATOM 33463 O5* C 01614 179.596 15.392 152.578 1.00737.35 O ATOM 33464 C5* C 01614 180.545 14.386 152.223 1.00737.35 C ATOM 33465 C4* C 01614 180.390 14.009 150.768 1.00737.35 C ATOM 33466 O4* C 01614 179.084 13.404 150.567 1.00737.35 O ATOM 33467 C3* C 01614 180.429 15.166 149.781 1.00737.35 C ATOM 33468 O3* C 01614 181.772 15.490 149.431 1.00737.35 O ATOM 33469 C2* C 01614 179.644 14.612 148.598 1.00737.35 C ATOM 33470 O2* C 01614 180.414 13.768 147.765 1.00737.35 O ATOM 33471 C1* C 01614 178.562 13.795 149.307 1.00737.35 C ATOM 33472 N1 C 01614 177.303 14.537 149.529 1.00737.35 N ATOM 33473 C2 C 01614 176.329 14.543 148.514 1.00737.35 C ATOM 33474 O2 C 01614 176.550 13.930 147.457 1.00737.35 O ATOM 33475 N3 C 01614 175.174 15.219 148.714 1.00737.35 N ATOM 33476 C4 C 01614 174.970 15.870 149.864 1.00737.35 C ATOM 33477 N4 C 01614 173.816 16.523 150.015 1.00737.35 N ATOM 33478 C5 C 01614 175.939 15.880 150.907 1.00737.35 C ATOM 33479 C6 C 01614 177.077 15.209 150.700 1.00737.35 C ATOM 33480 P C 01615 182.151 17.001 149.032 1.00737.35 P ATOM 33481 O1P C 01615 183.635 17.083 148.986 1.00737.35 O ATOM 33482 O2P C 01615 181.394 17.930 149.910 1.00737.35 O ATOM 33483 O5* C 01615 181.594 17.159 147.548 1.00737.35 O ATOM 33484 C5* C 01615 182.285 16.588 146.436 1.00737.35 C ATOM 33485 C4* C 01615 181.557 16.897 145.148 1.00737.35 C ATOM 33486 O4* C 01615 180.256 16.253 145.163 1.00737.35 O ATOM 33487 C3* C 01615 181.250 18.366 144.896 1.00737.35 C ATOM 33488 O3* C 01615 182.365 19.028 144.306 1.00737.35 O ATOM 33489 C2* C 01615 180.059 18.288 143.950 1.00737.35 C ATOM 33490 O2* C 01615 180.429 18.042 142.607 1.00737.35 O ATOM 33491 C1* C 01615 179.304 17.080 144.508 1.00737.35 C ATOM 33492 N1 C 01615 178.242 17.436 145.474 1.00737.35 N ATOM 33493 C2 C 01615 176.953 17.721 144.994 1.00737.35 C ATOM 33494 O2 C 01615 176.733 17.664 143.773 1.00737.35 O ATOM 33495 N3 C 01615 175.981 18.051 145.875 1.00737.35 N ATOM 33496 C4 C 01615 176.251 18.101 147.181 1.00737.35 C ATOM 33497 N4 C 01615 175.260 18.432 148.012 1.00737.35 N ATOM 33498 C5 C 01615 177.549 17.817 147.696 1.00737.35 C ATOM 33499 C6 C 01615 178.507 17.493 146.817 1.00737.35 C ATOM 33500 P C 01616 182.581 20.604 144.549 1.00737.35 P ATOM 33501 O1P C 01616 183.971 20.924 144.133 1.00737.35 O ATOM 33502 O2P C 01616 182.134 20.940 145.926 1.00737.35 O ATOM 33503 O5* C 01616 181.579 21.296 143.520 1.00737.35 O ATOM 33504 C5* C 01616 181.820 21.240 142.116 1.00737.35 C ATOM 33505 C4* C 01616 180.588 21.671 141.350 1.00737.35 C ATOM 33506 O4* C 01616 179.494 20.769 141.664 1.00737.35 O ATOM 33507 C3* C 01616 180.042 23.052 141.681 1.00737.35 C ATOM 33508 O3* C 01616 180.721 24.066 140.946 1.00737.35 O ATOM 33509 C2* C 01616 178.583 22.925 141.258 1.00737.35 C ATOM 33510 O2* C 01616 178.392 23.064 139.865 1.00737.35 O ATOM 33511 C1* C 01616 178.271 21.488 141.681 1.00737.35 C ATOM 33512 N1 C 01616 177.684 21.398 143.035 1.00737.35 N ATOM 33513 C2 C 01616 176.287 21.445 143.174 1.00737.35 C ATOM 33514 O2 C 01616 175.580 21.552 142.158 1.00737.35 O ATOM 33515 N3 C 01616 175.747 21.373 144.413 1.00737.35 N ATOM 33516 C4 C 01616 176.536 21.257 145.482 1.00737.35 C ATOM 33517 N4 C 01616 175.959 21.191 146.684 1.00737.35 N ATOM 33518 C5 C 01616 177.955 21.202 145.370 1.00737.35 C ATOM 33519 C6 C 01616 178.482 21.275 144.140 1.00737.35 C ATOM 33520 P G 01617 180.767 25.569 141.515 1.00737.35 P ATOM 33521 O1P G 01617 181.597 26.370 140.580 1.00737.35 O ATOM 33522 O2P G 01617 181.131 25.517 142.955 1.00737.35 O ATOM 33523 O5* G 01617 179.259 26.075 141.401 1.00737.35 O ATOM 33524 C5* G 01617 178.605 26.150 140.136 1.00737.35 C ATOM 33525 C4* G 01617 177.177 26.619 140.306 1.00737.35 C ATOM 33526 O4* G 01617 176.451 25.668 141.130 1.00737.35 O ATOM 33527 C3* G 01617 176.990 27.950 141.018 1.00737.35 C ATOM 33528 O3* G 01617 177.141 29.039 140.108 1.00737.35 O ATOM 33529 C2* G 01617 175.565 27.836 141.547 1.00737.35 C ATOM 33530 O2* G 01617 174.583 28.116 140.568 1.00737.35 O ATOM 33531 C1* G 01617 175.505 26.354 141.935 1.00737.35 C ATOM 33532 N9 G 01617 175.810 26.095 143.341 1.00737.35 N ATOM 33533 C8 G 01617 176.819 25.304 143.841 1.00737.35 C ATOM 33534 N7 G 01617 176.838 25.259 145.146 1.00737.35 N ATOM 33535 C5 G 01617 175.781 26.068 145.535 1.00737.35 C ATOM 33536 C6 G 01617 175.308 26.404 146.832 1.00737.35 C ATOM 33537 O6 G 01617 175.740 26.032 147.932 1.00737.35 O ATOM 33538 N1 G 01617 174.213 27.258 146.770 1.00737.35 N ATOM 33539 C2 G 01617 173.642 27.730 145.615 1.00737.35 C ATOM 33540 N2 G 01617 172.589 28.550 145.767 1.00737.35 N ATOM 33541 N3 G 01617 174.069 27.425 144.400 1.00737.35 N ATOM 33542 C4 G 01617 175.136 26.595 144.435 1.00737.35 C ATOM 33543 P U 01618 177.288 30.543 140.666 1.00737.35 P ATOM 33544 O1P U 01618 175.914 31.065 140.882 1.00737.35 O ATOM 33545 O2P U 01618 178.212 31.273 139.763 1.00737.35 O ATOM 33546 O5* U 01618 178.004 30.385 142.084 1.00737.35 O ATOM 33547 C5* U 01618 177.246 30.201 143.279 1.00737.35 C ATOM 33548 C4* U 01618 178.142 30.301 144.491 1.00737.35 C ATOM 33549 O4* U 01618 179.137 29.244 144.440 1.00737.35 O ATOM 33550 C3* U 01618 178.955 31.579 144.603 1.00737.35 C ATOM 33551 O3* U 01618 178.192 32.613 145.220 1.00737.35 O ATOM 33552 C2* U 01618 180.127 31.142 145.472 1.00737.35 C ATOM 33553 O2* U 01618 179.808 31.104 146.850 1.00737.35 O ATOM 33554 C1* U 01618 180.369 29.720 144.961 1.00737.35 C ATOM 33555 N1 U 01618 181.391 29.637 143.904 1.00737.35 N ATOM 33556 C2 U 01618 182.717 29.507 144.293 1.00737.35 C ATOM 33557 O2 U 01618 183.069 29.461 145.461 1.00737.35 O ATOM 33558 N3 U 01618 183.620 29.435 143.261 1.00737.35 N ATOM 33559 C4 U 01618 183.343 29.478 141.908 1.00737.35 C ATOM 33560 O4 U 01618 184.270 29.401 141.099 1.00737.35 O ATOM 33561 C5 U 01618 181.957 29.612 141.588 1.00737.35 C ATOM 33562 C6 U 01618 181.053 29.685 142.568 1.00737.35 C ATOM 33563 P A 01619 178.239 34.103 144.621 1.00737.35 P ATOM 33564 O1P A 01619 177.345 34.942 145.460 1.00737.35 O ATOM 33565 O2P A 01619 178.007 34.028 143.158 1.00737.35 O ATOM 33566 O5* A 01619 179.742 34.575 144.867 1.00737.35 O ATOM 33567 C5* A 01619 180.206 34.897 146.176 1.00737.35 C ATOM 33568 C4* A 01619 181.239 36.000 146.110 1.00737.35 C ATOM 33569 O4* A 01619 182.435 35.516 145.446 1.00737.35 O ATOM 33570 C3* A 01619 180.839 37.232 145.314 1.00737.35 C ATOM 33571 O3* A 01619 180.065 38.127 146.108 1.00737.35 O ATOM 33572 C2* A 01619 182.191 37.835 144.941 1.00737.35 C ATOM 33573 O2* A 01619 182.747 38.629 145.971 1.00737.35 O ATOM 33574 C1* A 01619 183.045 36.582 144.738 1.00737.35 C ATOM 33575 N9 A 01619 183.232 36.175 143.343 1.00737.35 N ATOM 33576 C8 A 01619 184.422 36.107 142.662 1.00737.35 C ATOM 33577 N7 A 01619 184.301 35.715 141.417 1.00737.35 N ATOM 33578 C5 A 01619 182.936 35.508 141.266 1.00737.35 C ATOM 33579 C6 A 01619 182.162 35.080 140.173 1.00737.35 C ATOM 33580 N6 A 01619 182.671 34.776 138.978 1.00737.35 N ATOM 33581 N1 A 01619 180.828 34.974 140.354 1.00737.35 N ATOM 33582 C2 A 01619 180.319 35.280 141.553 1.00737.35 C ATOM 33583 N3 A 01619 180.940 35.694 142.653 1.00737.35 N ATOM 33584 C4 A 01619 182.266 35.789 142.443 1.00737.35 C ATOM 33585 P C 01620 178.833 38.916 145.443 1.00737.35 P ATOM 33586 O1P C 01620 178.361 39.917 146.436 1.00737.35 O ATOM 33587 O2P C 01620 177.878 37.920 144.899 1.00737.35 O ATOM 33588 O5* C 01620 179.487 39.700 144.218 1.00737.35 O ATOM 33589 C5* C 01620 180.475 40.707 144.432 1.00737.35 C ATOM 33590 C4* C 01620 180.673 41.520 143.174 1.00737.35 C ATOM 33591 O4* C 01620 181.209 40.669 142.125 1.00737.35 O ATOM 33592 C3* C 01620 179.407 42.111 142.575 1.00737.35 C ATOM 33593 O3* C 01620 179.083 43.347 143.203 1.00737.35 O ATOM 33594 C2* C 01620 179.785 42.282 141.109 1.00737.35 C ATOM 33595 O2* C 01620 180.544 43.450 140.864 1.00737.35 O ATOM 33596 C1* C 01620 180.656 41.042 140.873 1.00737.35 C ATOM 33597 N1 C 01620 179.915 39.884 140.323 1.00737.35 N ATOM 33598 C2 C 01620 179.847 39.714 138.927 1.00737.35 C ATOM 33599 O2 C 01620 180.390 40.550 138.184 1.00737.35 O ATOM 33600 N3 C 01620 179.187 38.644 138.429 1.00737.35 N ATOM 33601 C4 C 01620 178.610 37.769 139.256 1.00737.35 C ATOM 33602 N4 C 01620 177.983 36.723 138.716 1.00737.35 N ATOM 33603 C5 C 01620 178.653 37.925 140.670 1.00737.35 C ATOM 33604 C6 C 01620 179.309 38.984 141.157 1.00737.35 C ATOM 33605 P C 01621 177.544 43.776 143.377 1.00737.35 P ATOM 33606 O1P C 01621 177.522 45.020 144.186 1.00737.35 O ATOM 33607 O2P C 01621 176.770 42.592 143.831 1.00737.35 O ATOM 33608 O5* C 01621 177.082 44.137 141.896 1.00737.35 O ATOM 33609 C5* C 01621 177.658 45.240 141.198 1.00737.35 C ATOM 33610 C4* C 01621 177.234 45.224 139.748 1.00737.35 C ATOM 33611 O4* C 01621 177.774 44.045 139.097 1.00737.35 O ATOM 33612 C3* C 01621 175.739 45.141 139.498 1.00737.35 C ATOM 33613 O3* C 01621 175.148 46.436 139.561 1.00737.35 O ATOM 33614 C2* C 01621 175.677 44.560 138.090 1.00737.35 C ATOM 33615 O2* C 01621 175.873 45.534 137.085 1.00737.35 O ATOM 33616 C1* C 01621 176.868 43.593 138.101 1.00737.35 C ATOM 33617 N1 C 01621 176.503 42.192 138.388 1.00737.35 N ATOM 33618 C2 C 01621 176.191 41.333 137.316 1.00737.35 C ATOM 33619 O2 C 01621 176.226 41.774 136.155 1.00737.35 O ATOM 33620 N3 C 01621 175.860 40.050 137.576 1.00737.35 N ATOM 33621 C4 C 01621 175.833 39.606 138.836 1.00737.35 C ATOM 33622 N4 C 01621 175.505 38.329 139.040 1.00737.35 N ATOM 33623 C5 C 01621 176.141 40.454 139.939 1.00737.35 C ATOM 33624 C6 C 01621 176.469 41.724 139.673 1.00737.35 C ATOM 33625 P G 01622 173.761 46.646 140.347 1.00737.35 P ATOM 33626 O1P G 01622 173.363 48.067 140.173 1.00737.35 O ATOM 33627 O2P G 01622 173.912 46.091 141.719 1.00737.35 O ATOM 33628 O5* G 01622 172.724 45.734 139.554 1.00737.35 O ATOM 33629 C5* G 01622 172.411 45.998 138.188 1.00737.35 C ATOM 33630 C4* G 01622 171.623 44.851 137.601 1.00737.35 C ATOM 33631 O4* G 01622 172.435 43.652 137.620 1.00737.35 O ATOM 33632 C3* G 01622 170.359 44.469 138.356 1.00737.35 C ATOM 33633 O3* G 01622 169.266 45.277 137.932 1.00737.35 O ATOM 33634 C2* G 01622 170.166 43.010 137.953 1.00737.35 C ATOM 33635 O2* G 01622 169.529 42.861 136.696 1.00737.35 O ATOM 33636 C1* G 01622 171.612 42.521 137.856 1.00737.35 C ATOM 33637 N9 G 01622 172.098 41.838 139.053 1.00737.35 N ATOM 33638 C8 G 01622 172.464 42.409 140.249 1.00737.35 C ATOM 33639 N7 G 01622 172.868 41.539 141.132 1.00737.35 N ATOM 33640 C5 G 01622 172.760 40.315 140.483 1.00737.35 C ATOM 33641 C6 G 01622 173.059 39.003 140.937 1.00737.35 C ATOM 33642 O6 G 01622 173.497 38.646 142.035 1.00737.35 O ATOM 33643 N1 G 01622 172.802 38.053 139.954 1.00737.35 N ATOM 33644 C2 G 01622 172.323 38.327 138.697 1.00737.35 C ATOM 33645 N2 G 01622 172.142 37.271 137.893 1.00737.35 N ATOM 33646 N3 G 01622 172.043 39.543 138.262 1.00737.35 N ATOM 33647 C4 G 01622 172.282 40.483 139.201 1.00737.35 C ATOM 33648 P C 01623 168.225 45.849 139.013 1.00737.35 P ATOM 33649 O1P C 01623 168.967 46.780 139.903 1.00737.35 O ATOM 33650 O2P C 01623 167.485 44.705 139.602 1.00737.35 O ATOM 33651 O5* C 01623 167.207 46.703 138.134 1.00737.35 O ATOM 33652 C5* C 01623 167.644 47.864 137.430 1.00737.35 C ATOM 33653 C4* C 01623 167.646 47.604 135.941 1.00737.35 C ATOM 33654 O4* C 01623 166.320 47.189 135.522 1.00737.35 O ATOM 33655 C3* C 01623 167.962 48.811 135.072 1.00737.35 C ATOM 33656 O3* C 01623 169.372 48.973 134.931 1.00737.35 O ATOM 33657 C2* C 01623 167.301 48.436 133.749 1.00737.35 C ATOM 33658 O2* C 01623 168.086 47.556 132.966 1.00737.35 O ATOM 33659 C1* C 01623 166.043 47.711 134.233 1.00737.35 C ATOM 33660 N1 C 01623 164.851 48.582 134.321 1.00737.35 N ATOM 33661 C2 C 01623 164.088 48.813 133.164 1.00737.35 C ATOM 33662 O2 C 01623 164.425 48.273 132.097 1.00737.35 O ATOM 33663 N3 C 01623 163.000 49.614 133.240 1.00737.35 N ATOM 33664 C4 C 01623 162.665 50.173 134.405 1.00737.35 C ATOM 33665 N4 C 01623 161.586 50.960 134.431 1.00737.35 N ATOM 33666 C5 C 01623 163.417 49.955 135.594 1.00737.35 C ATOM 33667 C6 C 01623 164.492 49.161 135.509 1.00737.35 C ATOM 33668 P A 01624 170.043 50.408 135.209 1.00737.35 P ATOM 33669 O1P A 01624 169.669 50.822 136.585 1.00737.35 O ATOM 33670 O2P A 01624 169.727 51.298 134.064 1.00737.35 O ATOM 33671 O5* A 01624 171.610 50.112 135.189 1.00737.35 O ATOM 33672 C5* A 01624 172.125 48.871 135.665 1.00737.35 C ATOM 33673 C4* A 01624 173.558 48.684 135.222 1.00737.35 C ATOM 33674 O4* A 01624 174.006 47.377 135.674 1.00737.35 O ATOM 33675 C3* A 01624 173.778 48.673 133.715 1.00737.35 C ATOM 33676 O3* A 01624 174.004 49.994 133.226 1.00737.35 O ATOM 33677 C2* A 01624 175.017 47.798 133.571 1.00737.35 C ATOM 33678 O2* A 01624 176.220 48.485 133.844 1.00737.35 O ATOM 33679 C1* A 01624 174.766 46.748 134.653 1.00737.35 C ATOM 33680 N9 A 01624 174.011 45.587 134.179 1.00737.35 N ATOM 33681 C8 A 01624 172.645 45.445 134.093 1.00737.35 C ATOM 33682 N7 A 01624 172.262 44.283 133.624 1.00737.35 N ATOM 33683 C5 A 01624 173.451 43.611 133.385 1.00737.35 C ATOM 33684 C6 A 01624 173.726 42.328 132.882 1.00737.35 C ATOM 33685 N6 A 01624 172.782 41.460 132.517 1.00737.35 N ATOM 33686 N1 A 01624 175.021 41.964 132.767 1.00737.35 N ATOM 33687 C2 A 01624 175.968 42.836 133.132 1.00737.35 C ATOM 33688 N3 A 01624 175.836 44.069 133.617 1.00737.35 N ATOM 33689 C4 A 01624 174.537 44.402 133.721 1.00737.35 C ATOM 33690 P A 01625 173.551 50.387 131.730 1.00737.35 P ATOM 33691 O1P A 01625 172.893 51.716 131.815 1.00737.35 O ATOM 33692 O2P A 01625 172.818 49.246 131.121 1.00737.35 O ATOM 33693 O5* A 01625 174.924 50.576 130.939 1.00737.35 O ATOM 33694 C5* A 01625 175.916 49.553 130.933 1.00737.35 C ATOM 33695 C4* A 01625 176.957 49.839 129.872 1.00737.35 C ATOM 33696 O4* A 01625 177.505 51.167 130.075 1.00737.35 O ATOM 33697 C3* A 01625 178.168 48.919 129.896 1.00737.35 C ATOM 33698 O3* A 01625 177.913 47.736 129.146 1.00737.35 O ATOM 33699 C2* A 01625 179.238 49.770 129.222 1.00737.35 C ATOM 33700 O2* A 01625 179.159 49.731 127.810 1.00737.35 O ATOM 33701 C1* A 01625 178.878 51.176 129.719 1.00737.35 C ATOM 33702 N9 A 01625 179.653 51.668 130.863 1.00737.35 N ATOM 33703 C8 A 01625 179.230 52.566 131.814 1.00737.35 C ATOM 33704 N7 A 01625 180.137 52.857 132.713 1.00737.35 N ATOM 33705 C5 A 01625 181.234 52.096 132.336 1.00737.35 C ATOM 33706 C6 A 01625 182.522 51.961 132.884 1.00737.35 C ATOM 33707 N6 A 01625 182.941 52.621 133.966 1.00737.35 N ATOM 33708 N1 A 01625 183.380 51.115 132.272 1.00737.35 N ATOM 33709 C2 A 01625 182.962 50.458 131.183 1.00737.35 C ATOM 33710 N3 A 01625 181.782 50.507 130.569 1.00737.35 N ATOM 33711 C4 A 01625 180.950 51.354 131.203 1.00737.35 C ATOM 33712 P A 01626 178.072 46.298 129.846 1.00737.35 P ATOM 33713 O1P A 01626 177.863 45.276 128.787 1.00737.35 O ATOM 33714 O2P A 01626 177.215 46.278 131.059 1.00737.35 O ATOM 33715 O5* A 01626 179.592 46.252 130.323 1.00737.35 O ATOM 33716 C5* A 01626 180.637 45.801 129.458 1.00737.35 C ATOM 33717 C4* A 01626 181.580 44.897 130.216 1.00737.35 C ATOM 33718 O4* A 01626 182.054 45.613 131.389 1.00737.35 O ATOM 33719 C3* A 01626 180.943 43.623 130.758 1.00737.35 C ATOM 33720 O3* A 01626 181.073 42.565 129.811 1.00737.35 O ATOM 33721 C2* A 01626 181.779 43.333 132.000 1.00737.35 C ATOM 33722 O2* A 01626 182.994 42.669 131.710 1.00737.35 O ATOM 33723 C1* A 01626 182.074 44.745 132.507 1.00737.35 C ATOM 33724 N9 A 01626 181.108 45.243 133.492 1.00737.35 N ATOM 33725 C8 A 01626 180.008 46.035 133.263 1.00737.35 C ATOM 33726 N7 A 01626 179.337 46.334 134.346 1.00737.35 N ATOM 33727 C5 A 01626 180.039 45.699 135.359 1.00737.35 C ATOM 33728 C6 A 01626 179.838 45.632 136.748 1.00737.35 C ATOM 33729 N6 A 01626 178.834 46.243 137.379 1.00737.35 N ATOM 33730 N1 A 01626 180.718 44.910 137.474 1.00737.35 N ATOM 33731 C2 A 01626 181.727 44.305 136.840 1.00737.35 C ATOM 33732 N3 A 01626 182.025 44.295 135.542 1.00737.35 N ATOM 33733 C4 A 01626 181.130 45.020 134.848 1.00737.35 C ATOM 33734 P C 01627 179.839 42.181 128.852 1.00737.35 P ATOM 33735 O1P C 01627 180.245 40.953 128.119 1.00737.35 O ATOM 33736 O2P C 01627 179.441 43.388 128.086 1.00737.35 O ATOM 33737 O5* C 01627 178.652 41.802 129.848 1.00737.35 O ATOM 33738 C5* C 01627 178.400 40.444 130.207 1.00737.35 C ATOM 33739 C4* C 01627 177.056 39.994 129.679 1.00737.35 C ATOM 33740 O4* C 01627 175.990 40.662 130.400 1.00737.35 O ATOM 33741 C3* C 01627 176.772 40.312 128.218 1.00737.35 C ATOM 33742 O3* C 01627 177.359 39.338 127.360 1.00737.35 O ATOM 33743 C2* C 01627 175.247 40.275 128.168 1.00737.35 C ATOM 33744 O2* C 01627 174.729 38.966 128.039 1.00737.35 O ATOM 33745 C1* C 01627 174.876 40.844 129.538 1.00737.35 C ATOM 33746 N1 C 01627 174.506 42.276 129.527 1.00737.35 N ATOM 33747 C2 C 01627 173.185 42.634 129.206 1.00737.35 C ATOM 33748 O2 C 01627 172.364 41.746 128.920 1.00737.35 O ATOM 33749 N3 C 01627 172.839 43.943 129.210 1.00737.35 N ATOM 33750 C4 C 01627 173.746 44.873 129.511 1.00737.35 C ATOM 33751 N4 C 01627 173.356 46.150 129.507 1.00737.35 N ATOM 33752 C5 C 01627 175.093 44.539 129.831 1.00737.35 C ATOM 33753 C6 C 01627 175.428 43.242 129.827 1.00737.35 C ATOM 33754 P C 01628 177.894 39.775 125.906 1.00737.35 P ATOM 33755 O1P C 01628 178.650 38.619 125.354 1.00737.35 O ATOM 33756 O2P C 01628 178.561 41.097 126.019 1.00737.35 O ATOM 33757 O5* C 01628 176.564 39.967 125.049 1.00737.35 O ATOM 33758 C5* C 01628 175.914 38.856 124.438 1.00737.35 C ATOM 33759 C4* C 01628 174.776 39.330 123.562 1.00737.35 C ATOM 33760 O4* C 01628 173.756 39.946 124.391 1.00737.35 O ATOM 33761 C3* C 01628 175.137 40.403 122.545 1.00737.35 C ATOM 33762 O3* C 01628 175.668 39.828 121.355 1.00737.35 O ATOM 33763 C2* C 01628 173.797 41.085 122.303 1.00737.35 C ATOM 33764 O2* C 01628 172.966 40.381 121.400 1.00737.35 O ATOM 33765 C1* C 01628 173.184 41.051 123.706 1.00737.35 C ATOM 33766 N1 C 01628 173.441 42.276 124.489 1.00737.35 N ATOM 33767 C2 C 01628 172.561 43.365 124.357 1.00737.35 C ATOM 33768 O2 C 01628 171.587 43.269 123.591 1.00737.35 O ATOM 33769 N3 C 01628 172.795 44.492 125.070 1.00737.35 N ATOM 33770 C4 C 01628 173.853 44.561 125.883 1.00737.35 C ATOM 33771 N4 C 01628 174.044 45.692 126.563 1.00737.35 N ATOM 33772 C5 C 01628 174.758 43.474 126.037 1.00737.35 C ATOM 33773 C6 C 01628 174.520 42.364 125.328 1.00737.35 C ATOM 33774 P G 01629 176.773 40.630 120.503 1.00737.35 P ATOM 33775 O1P G 01629 177.200 39.743 119.391 1.00737.35 O ATOM 33776 O2P G 01629 177.790 41.171 121.441 1.00737.35 O ATOM 33777 O5* G 01629 175.963 41.857 119.885 1.00737.35 O ATOM 33778 C5* G 01629 174.992 41.651 118.862 1.00737.35 C ATOM 33779 C4* G 01629 174.247 42.934 118.575 1.00737.35 C ATOM 33780 O4* G 01629 173.500 43.335 119.752 1.00737.35 O ATOM 33781 C3* G 01629 175.104 44.147 118.245 1.00737.35 C ATOM 33782 O3* G 01629 175.470 44.147 116.867 1.00737.35 O ATOM 33783 C2* G 01629 174.175 45.303 118.597 1.00737.35 C ATOM 33784 O2* G 01629 173.232 45.589 117.583 1.00737.35 O ATOM 33785 C1* G 01629 173.457 44.752 119.832 1.00737.35 C ATOM 33786 N9 G 01629 174.060 45.169 121.097 1.00737.35 N ATOM 33787 C8 G 01629 174.954 44.460 121.867 1.00737.35 C ATOM 33788 N7 G 01629 175.311 45.093 122.950 1.00737.35 N ATOM 33789 C5 G 01629 174.614 46.293 122.892 1.00737.35 C ATOM 33790 C6 G 01629 174.599 47.392 123.791 1.00737.35 C ATOM 33791 O6 G 01629 175.218 47.530 124.853 1.00737.35 O ATOM 33792 N1 G 01629 173.756 48.404 123.345 1.00737.35 N ATOM 33793 C2 G 01629 173.024 48.371 122.186 1.00737.35 C ATOM 33794 N2 G 01629 172.272 49.450 121.928 1.00737.35 N ATOM 33795 N3 G 01629 173.026 47.354 121.339 1.00737.35 N ATOM 33796 C4 G 01629 173.838 46.356 121.753 1.00737.35 C ATOM 33797 P A 01630 176.574 45.190 116.330 1.00737.35 P ATOM 33798 O1P A 01630 175.951 46.537 116.340 1.00737.35 O ATOM 33799 O2P A 01630 177.139 44.654 115.065 1.00737.35 O ATOM 33800 O5* A 01630 177.721 45.174 117.436 1.00737.35 O ATOM 33801 C5* A 01630 178.421 43.974 117.762 1.00737.35 C ATOM 33802 C4* A 01630 179.913 44.225 117.761 1.00737.35 C ATOM 33803 O4* A 01630 180.341 44.534 116.410 1.00737.35 O ATOM 33804 C3* A 01630 180.380 45.411 118.594 1.00737.35 C ATOM 33805 O3* A 01630 180.582 45.032 119.953 1.00737.35 O ATOM 33806 C2* A 01630 181.689 45.791 117.912 1.00737.35 C ATOM 33807 O2* A 01630 182.782 44.988 118.317 1.00737.35 O ATOM 33808 C1* A 01630 181.364 45.517 116.444 1.00737.35 C ATOM 33809 N9 A 01630 180.894 46.693 115.708 1.00737.35 N ATOM 33810 C8 A 01630 179.616 47.191 115.634 1.00737.35 C ATOM 33811 N7 A 01630 179.507 48.262 114.884 1.00737.35 N ATOM 33812 C5 A 01630 180.801 48.484 114.435 1.00737.35 C ATOM 33813 C6 A 01630 181.353 49.470 113.596 1.00737.35 C ATOM 33814 N6 A 01630 180.642 50.451 113.038 1.00737.35 N ATOM 33815 N1 A 01630 182.679 49.410 113.349 1.00737.35 N ATOM 33816 C2 A 01630 183.393 48.425 113.906 1.00737.35 C ATOM 33817 N3 A 01630 182.989 47.441 114.708 1.00737.35 N ATOM 33818 C4 A 01630 181.666 47.529 114.938 1.00737.35 C ATOM 33819 P C 01631 180.232 46.069 121.131 1.00737.35 P ATOM 33820 O1P C 01631 180.586 45.409 122.416 1.00737.35 O ATOM 33821 O2P C 01631 178.849 46.569 120.923 1.00737.35 O ATOM 33822 O5* C 01631 181.242 47.282 120.904 1.00737.35 O ATOM 33823 C5* C 01631 182.654 47.077 120.926 1.00737.35 C ATOM 33824 C4* C 01631 183.378 48.405 120.971 1.00737.35 C ATOM 33825 O4* C 01631 183.027 49.182 119.793 1.00737.35 O ATOM 33826 C3* C 01631 183.025 49.310 122.142 1.00737.35 C ATOM 33827 O3* C 01631 183.812 48.991 123.287 1.00737.35 O ATOM 33828 C2* C 01631 183.375 50.691 121.599 1.00737.35 C ATOM 33829 O2* C 01631 184.756 50.988 121.680 1.00737.35 O ATOM 33830 C1* C 01631 182.957 50.558 120.134 1.00737.35 C ATOM 33831 N1 C 01631 181.591 51.046 119.858 1.00737.35 N ATOM 33832 C2 C 01631 181.395 52.417 119.621 1.00737.35 C ATOM 33833 O2 C 01631 182.371 53.185 119.644 1.00737.35 O ATOM 33834 N3 C 01631 180.141 52.868 119.369 1.00737.35 N ATOM 33835 C4 C 01631 179.115 52.017 119.351 1.00737.35 C ATOM 33836 N4 C 01631 177.900 52.507 119.099 1.00737.35 N ATOM 33837 C5 C 01631 179.286 50.623 119.591 1.00737.35 C ATOM 33838 C6 C 01631 180.527 50.184 119.837 1.00737.35 C ATOM 33839 P A 01632 183.131 48.956 124.742 1.00737.35 P ATOM 33840 O1P A 01632 184.229 48.832 125.731 1.00737.35 O ATOM 33841 O2P A 01632 182.045 47.939 124.719 1.00737.35 O ATOM 33842 O5* A 01632 182.485 50.406 124.908 1.00737.35 O ATOM 33843 C5* A 01632 181.076 50.568 125.072 1.00737.35 C ATOM 33844 C4* A 01632 180.783 51.639 126.100 1.00737.35 C ATOM 33845 O4* A 01632 181.405 51.268 127.359 1.00737.35 O ATOM 33846 C3* A 01632 181.330 53.027 125.807 1.00737.35 C ATOM 33847 O3* A 01632 180.423 53.750 124.979 1.00737.35 O ATOM 33848 C2* A 01632 181.419 53.642 127.199 1.00737.35 C ATOM 33849 O2* A 01632 180.184 54.151 127.660 1.00737.35 O ATOM 33850 C1* A 01632 181.826 52.434 128.045 1.00737.35 C ATOM 33851 N9 A 01632 183.267 52.339 128.290 1.00737.35 N ATOM 33852 C8 A 01632 184.205 51.620 127.590 1.00737.35 C ATOM 33853 N7 A 01632 185.421 51.730 128.066 1.00737.35 N ATOM 33854 C5 A 01632 185.277 52.584 129.152 1.00737.35 C ATOM 33855 C6 A 01632 186.198 53.095 130.082 1.00737.35 C ATOM 33856 N6 A 01632 187.502 52.809 130.069 1.00737.35 N ATOM 33857 N1 A 01632 185.729 53.922 131.040 1.00737.35 N ATOM 33858 C2 A 01632 184.422 54.208 131.056 1.00737.35 C ATOM 33859 N3 A 01632 183.457 53.788 130.240 1.00737.35 N ATOM 33860 C4 A 01632 183.957 52.969 129.298 1.00737.35 C ATOM 33861 P C 01633 180.885 55.130 124.291 1.00737.35 P ATOM 33862 O1P C 01633 181.652 54.778 123.070 1.00737.35 O ATOM 33863 O2P C 01633 181.509 56.000 125.322 1.00737.35 O ATOM 33864 O5* C 01633 179.517 55.807 123.835 1.00737.35 O ATOM 33865 C5* C 01633 178.341 55.692 124.635 1.00737.35 C ATOM 33866 C4* C 01633 177.118 56.018 123.811 1.00737.35 C ATOM 33867 O4* C 01633 177.157 55.263 122.574 1.00737.35 O ATOM 33868 C3* C 01633 175.782 55.680 124.457 1.00737.35 C ATOM 33869 O3* C 01633 175.444 56.718 125.398 1.00737.35 O ATOM 33870 C2* C 01633 174.880 55.414 123.250 1.00737.35 C ATOM 33871 O2* C 01633 174.350 56.570 122.636 1.00737.35 O ATOM 33872 C1* C 01633 175.866 54.769 122.270 1.00737.35 C ATOM 33873 N1 C 01633 175.927 53.291 122.279 1.00737.35 N ATOM 33874 C2 C 01633 175.080 52.567 121.427 1.00737.35 C ATOM 33875 O2 C 01633 174.260 53.178 120.722 1.00737.35 O ATOM 33876 N3 C 01633 175.174 51.217 121.391 1.00737.35 N ATOM 33877 C4 C 01633 176.063 50.591 122.166 1.00737.35 C ATOM 33878 N4 C 01633 176.143 49.263 122.076 1.00737.35 N ATOM 33879 C5 C 01633 176.914 51.298 123.061 1.00737.35 C ATOM 33880 C6 C 01633 176.814 52.632 123.089 1.00737.35 C ATOM 33881 P A 01634 174.012 57.466 125.360 1.00737.35 P ATOM 33882 O1P A 01634 174.018 58.355 124.172 1.00737.35 O ATOM 33883 O2P A 01634 173.808 58.060 126.705 1.00737.35 O ATOM 33884 O5* A 01634 172.922 56.318 125.154 1.00737.35 O ATOM 33885 C5* A 01634 172.022 55.972 126.209 1.00737.35 C ATOM 33886 C4* A 01634 170.601 56.349 125.848 1.00737.35 C ATOM 33887 O4* A 01634 170.527 57.777 125.581 1.00737.35 O ATOM 33888 C3* A 01634 170.024 55.700 124.602 1.00737.35 C ATOM 33889 O3* A 01634 169.590 54.351 124.834 1.00737.35 O ATOM 33890 C2* A 01634 168.960 56.692 124.133 1.00737.35 C ATOM 33891 O2* A 01634 167.670 56.533 124.683 1.00737.35 O ATOM 33892 C1* A 01634 169.558 58.031 124.572 1.00737.35 C ATOM 33893 N9 A 01634 170.197 58.777 123.487 1.00737.35 N ATOM 33894 C8 A 01634 171.468 58.628 122.989 1.00737.35 C ATOM 33895 N7 A 01634 171.752 59.454 122.012 1.00737.35 N ATOM 33896 C5 A 01634 170.592 60.196 121.855 1.00737.35 C ATOM 33897 C6 A 01634 170.248 61.239 120.974 1.00737.35 C ATOM 33898 N6 A 01634 171.078 61.736 120.054 1.00737.35 N ATOM 33899 N1 A 01634 169.007 61.760 121.073 1.00737.35 N ATOM 33900 C2 A 01634 168.175 61.262 121.997 1.00737.35 C ATOM 33901 N3 A 01634 168.381 60.287 122.879 1.00737.35 N ATOM 33902 C4 A 01634 169.624 59.789 122.753 1.00737.35 C ATOM 33903 P G 01635 168.576 54.002 126.047 1.00737.35 P ATOM 33904 O1P G 01635 167.890 55.219 126.541 1.00737.35 O ATOM 33905 O2P G 01635 169.347 53.168 127.005 1.00737.35 O ATOM 33906 O5* G 01635 167.485 53.055 125.378 1.00737.35 O ATOM 33907 C5* G 01635 166.770 53.451 124.210 1.00737.35 C ATOM 33908 C4* G 01635 166.699 52.300 123.230 1.00737.35 C ATOM 33909 O4* G 01635 168.042 51.994 122.768 1.00737.35 O ATOM 33910 C3* G 01635 166.177 50.993 123.809 1.00737.35 C ATOM 33911 O3* G 01635 164.755 50.926 123.743 1.00737.35 O ATOM 33912 C2* G 01635 166.845 49.954 122.922 1.00737.35 C ATOM 33913 O2* G 01635 166.191 49.778 121.680 1.00737.35 O ATOM 33914 C1* G 01635 168.219 50.589 122.704 1.00737.35 C ATOM 33915 N9 G 01635 169.203 50.206 123.715 1.00737.35 N ATOM 33916 C8 G 01635 169.734 51.009 124.698 1.00737.35 C ATOM 33917 N7 G 01635 170.591 50.390 125.460 1.00737.35 N ATOM 33918 C5 G 01635 170.634 49.099 124.951 1.00737.35 C ATOM 33919 C6 G 01635 171.385 47.973 125.372 1.00737.35 C ATOM 33920 O6 G 01635 172.191 47.890 126.306 1.00737.35 O ATOM 33921 N1 G 01635 171.125 46.861 124.578 1.00737.35 N ATOM 33922 C2 G 01635 170.253 46.832 123.517 1.00737.35 C ATOM 33923 N2 G 01635 170.140 45.660 122.877 1.00737.35 N ATOM 33924 N3 G 01635 169.545 47.875 123.116 1.00737.35 N ATOM 33925 C4 G 01635 169.783 48.967 123.874 1.00737.35 C ATOM 33926 P G 01636 163.942 50.131 124.878 1.00737.35 P ATOM 33927 O1P G 01636 162.503 50.184 124.510 1.00737.35 O ATOM 33928 O2P G 01636 164.376 50.635 126.207 1.00737.35 O ATOM 33929 O5* G 01636 164.442 48.623 124.731 1.00737.35 O ATOM 33930 C5* G 01636 164.050 47.824 123.616 1.00737.35 C ATOM 33931 C4* G 01636 164.578 46.416 123.764 1.00737.35 C ATOM 33932 O4* G 01636 166.028 46.434 123.723 1.00737.35 O ATOM 33933 C3* G 01636 164.249 45.717 125.074 1.00737.35 C ATOM 33934 O3* G 01636 162.957 45.119 125.025 1.00737.35 O ATOM 33935 C2* G 01636 165.353 44.670 125.171 1.00737.35 C ATOM 33936 O2* G 01636 165.092 43.512 124.402 1.00737.35 O ATOM 33937 C1* G 01636 166.546 45.425 124.576 1.00737.35 C ATOM 33938 N9 G 01636 167.402 46.058 125.577 1.00737.35 N ATOM 33939 C8 G 01636 167.368 47.369 125.994 1.00737.35 C ATOM 33940 N7 G 01636 168.263 47.640 126.905 1.00737.35 N ATOM 33941 C5 G 01636 168.929 46.437 127.104 1.00737.35 C ATOM 33942 C6 G 01636 170.002 46.114 127.974 1.00737.35 C ATOM 33943 O6 G 01636 170.600 46.850 128.769 1.00737.35 O ATOM 33944 N1 G 01636 170.369 44.778 127.858 1.00737.35 N ATOM 33945 C2 G 01636 169.783 43.867 127.013 1.00737.35 C ATOM 33946 N2 G 01636 170.283 42.621 127.047 1.00737.35 N ATOM 33947 N3 G 01636 168.783 44.155 126.196 1.00737.35 N ATOM 33948 C4 G 01636 168.408 45.449 126.294 1.00737.35 C ATOM 33949 P U 01637 162.027 45.118 126.336 1.00737.35 P ATOM 33950 O1P U 01637 160.773 44.399 125.986 1.00737.35 O ATOM 33951 O2P U 01637 161.953 46.503 126.863 1.00737.35 O ATOM 33952 O5* U 01637 162.837 44.230 127.385 1.00737.35 O ATOM 33953 C5* U 01637 162.925 42.814 127.240 1.00737.35 C ATOM 33954 C4* U 01637 163.854 42.233 128.281 1.00737.35 C ATOM 33955 O4* U 01637 165.197 42.747 128.062 1.00737.35 O ATOM 33956 C3* U 01637 163.547 42.605 129.725 1.00737.35 C ATOM 33957 O3* U 01637 162.558 41.749 130.289 1.00737.35 O ATOM 33958 C2* U 01637 164.901 42.417 130.398 1.00737.35 C ATOM 33959 O2* U 01637 165.189 41.067 130.704 1.00737.35 O ATOM 33960 C1* U 01637 165.853 42.920 129.307 1.00737.35 C ATOM 33961 N1 U 01637 166.209 44.340 129.463 1.00737.35 N ATOM 33962 C2 U 01637 167.324 44.649 130.233 1.00737.35 C ATOM 33963 O2 U 01637 168.017 43.800 130.775 1.00737.35 O ATOM 33964 N3 U 01637 167.595 45.990 130.345 1.00737.35 N ATOM 33965 C4 U 01637 166.890 47.033 129.784 1.00737.35 C ATOM 33966 O4 U 01637 167.260 48.191 129.980 1.00737.35 O ATOM 33967 C5 U 01637 165.759 46.635 129.002 1.00737.35 C ATOM 33968 C6 U 01637 165.465 45.339 128.869 1.00737.35 C ATOM 33969 P G 01638 161.445 42.361 131.275 1.00737.35 P ATOM 33970 O1P G 01638 160.230 42.627 130.460 1.00737.35 O ATOM 33971 O2P G 01638 162.057 43.467 132.055 1.00737.35 O ATOM 33972 O5* G 01638 161.124 41.170 132.284 1.00737.35 O ATOM 33973 C5* G 01638 160.307 40.067 131.892 1.00737.35 C ATOM 33974 C4* G 01638 160.340 38.990 132.951 1.00737.35 C ATOM 33975 O4* G 01638 161.689 38.457 133.047 1.00737.35 O ATOM 33976 C3* G 01638 160.013 39.448 134.365 1.00737.35 C ATOM 33977 O3* G 01638 158.607 39.465 134.594 1.00737.35 O ATOM 33978 C2* G 01638 160.720 38.400 135.215 1.00737.35 C ATOM 33979 O2* G 01638 159.994 37.190 135.328 1.00737.35 O ATOM 33980 C1* G 01638 161.995 38.166 134.402 1.00737.35 C ATOM 33981 N9 G 01638 163.106 39.024 134.816 1.00737.35 N ATOM 33982 C8 G 01638 163.478 40.229 134.264 1.00737.35 C ATOM 33983 N7 G 01638 164.508 40.765 134.856 1.00737.35 N ATOM 33984 C5 G 01638 164.841 39.864 135.858 1.00737.35 C ATOM 33985 C6 G 01638 165.875 39.909 136.828 1.00737.35 C ATOM 33986 O6 G 01638 166.733 40.783 137.001 1.00737.35 O ATOM 33987 N1 G 01638 165.853 38.788 137.650 1.00737.35 N ATOM 33988 C2 G 01638 164.952 37.756 137.555 1.00737.35 C ATOM 33989 N2 G 01638 165.096 36.761 138.444 1.00737.35 N ATOM 33990 N3 G 01638 163.982 37.702 136.658 1.00737.35 N ATOM 33991 C4 G 01638 163.986 38.781 135.846 1.00737.35 C ATOM 33992 P U 01639 157.994 40.427 135.728 1.00737.35 P ATOM 33993 O1P U 01639 156.516 40.344 135.627 1.00737.35 O ATOM 33994 O2P U 01639 158.660 41.754 135.634 1.00737.35 O ATOM 33995 O5* U 01639 158.443 39.743 137.097 1.00737.35 O ATOM 33996 C5* U 01639 157.892 38.491 137.502 1.00737.35 C ATOM 33997 C4* U 01639 158.523 38.030 138.796 1.00737.35 C ATOM 33998 O4* U 01639 159.942 37.792 138.588 1.00737.35 O ATOM 33999 C3* U 01639 158.480 39.016 139.954 1.00737.35 C ATOM 34000 O3* U 01639 157.233 38.958 140.637 1.00737.35 O ATOM 34001 C2* U 01639 159.633 38.537 140.826 1.00737.35 C ATOM 34002 O2* U 01639 159.296 37.425 141.632 1.00737.35 O ATOM 34003 C1* U 01639 160.660 38.117 139.769 1.00737.35 C ATOM 34004 N1 U 01639 161.637 39.174 139.458 1.00737.35 N ATOM 34005 C2 U 01639 162.773 39.260 140.248 1.00737.35 C ATOM 34006 O2 U 01639 162.999 38.501 141.181 1.00737.35 O ATOM 34007 N3 U 01639 163.639 40.271 139.909 1.00737.35 N ATOM 34008 C4 U 01639 163.494 41.184 138.884 1.00737.35 C ATOM 34009 O4 U 01639 164.366 42.033 138.702 1.00737.35 O ATOM 34010 C5 U 01639 162.300 41.029 138.112 1.00737.35 C ATOM 34011 C6 U 01639 161.434 40.056 138.416 1.00737.35 C ATOM 34012 P C 01640 156.734 40.226 141.494 1.00737.35 P ATOM 34013 O1P C 01640 155.382 39.900 142.017 1.00737.35 O ATOM 34014 O2P C 01640 156.929 41.453 140.680 1.00737.35 O ATOM 34015 O5* C 01640 157.740 40.278 142.728 1.00737.35 O ATOM 34016 C5* C 01640 157.743 39.246 143.712 1.00737.35 C ATOM 34017 C4* C 01640 158.712 39.582 144.824 1.00737.35 C ATOM 34018 O4* C 01640 160.062 39.623 144.290 1.00737.35 O ATOM 34019 C3* C 01640 158.529 40.939 145.481 1.00737.35 C ATOM 34020 O3* C 01640 157.521 40.896 146.487 1.00737.35 O ATOM 34021 C2* C 01640 159.911 41.201 146.064 1.00737.35 C ATOM 34022 O2* C 01640 160.134 40.529 147.288 1.00737.35 O ATOM 34023 C1* C 01640 160.814 40.615 144.977 1.00737.35 C ATOM 34024 N1 C 01640 161.286 41.619 144.002 1.00737.35 N ATOM 34025 C2 C 01640 162.436 42.367 144.300 1.00737.35 C ATOM 34026 O2 C 01640 163.033 42.161 145.372 1.00737.35 O ATOM 34027 N3 C 01640 162.870 43.292 143.415 1.00737.35 N ATOM 34028 C4 C 01640 162.207 43.487 142.273 1.00737.35 C ATOM 34029 N4 C 01640 162.672 44.414 141.431 1.00737.35 N ATOM 34030 C5 C 01640 161.038 42.743 141.942 1.00737.35 C ATOM 34031 C6 C 01640 160.617 41.829 142.827 1.00737.35 C ATOM 34032 P C 01641 156.773 42.249 146.925 1.00737.35 P ATOM 34033 O1P C 01641 155.714 41.872 147.897 1.00737.35 O ATOM 34034 O2P C 01641 156.407 43.006 145.701 1.00737.35 O ATOM 34035 O5* C 01641 157.896 43.071 147.704 1.00737.35 O ATOM 34036 C5* C 01641 158.409 42.606 148.950 1.00737.35 C ATOM 34037 C4* C 01641 159.530 43.500 149.429 1.00737.35 C ATOM 34038 O4* C 01641 160.651 43.417 148.508 1.00737.35 O ATOM 34039 C3* C 01641 159.220 44.988 149.491 1.00737.35 C ATOM 34040 O3* C 01641 158.533 45.328 150.692 1.00737.35 O ATOM 34041 C2* C 01641 160.612 45.604 149.448 1.00737.35 C ATOM 34042 O2* C 01641 161.264 45.599 150.704 1.00737.35 O ATOM 34043 C1* C 01641 161.337 44.659 148.483 1.00737.35 C ATOM 34044 N1 C 01641 161.380 45.164 147.094 1.00737.35 N ATOM 34045 C2 C 01641 162.376 46.091 146.744 1.00737.35 C ATOM 34046 O2 C 01641 163.194 46.460 147.605 1.00737.35 O ATOM 34047 N3 C 01641 162.422 46.564 145.477 1.00737.35 N ATOM 34048 C4 C 01641 161.530 46.145 144.576 1.00737.35 C ATOM 34049 N4 C 01641 161.616 46.638 143.337 1.00737.35 N ATOM 34050 C5 C 01641 160.510 45.205 144.903 1.00737.35 C ATOM 34051 C6 C 01641 160.471 44.743 146.161 1.00737.35 C ATOM 34052 P G 01642 157.351 46.416 150.652 1.00737.35 P ATOM 34053 O1P G 01642 157.070 46.815 152.054 1.00737.35 O ATOM 34054 O2P G 01642 156.252 45.880 149.808 1.00737.35 O ATOM 34055 O5* G 01642 157.993 47.663 149.898 1.00737.35 O ATOM 34056 C5* G 01642 159.136 48.336 150.429 1.00737.35 C ATOM 34057 C4* G 01642 159.707 49.291 149.406 1.00737.35 C ATOM 34058 O4* G 01642 160.155 48.550 148.243 1.00737.35 O ATOM 34059 C3* G 01642 158.736 50.314 148.843 1.00737.35 C ATOM 34060 O3* G 01642 158.633 51.439 149.712 1.00737.35 O ATOM 34061 C2* G 01642 159.386 50.682 147.514 1.00737.35 C ATOM 34062 O2* G 01642 160.430 51.628 147.650 1.00737.35 O ATOM 34063 C1* G 01642 159.963 49.334 147.075 1.00737.35 C ATOM 34064 N9 G 01642 159.094 48.601 146.157 1.00737.35 N ATOM 34065 C8 G 01642 158.071 47.743 146.486 1.00737.35 C ATOM 34066 N7 G 01642 157.469 47.237 145.443 1.00737.35 N ATOM 34067 C5 G 01642 158.133 47.796 144.359 1.00737.35 C ATOM 34068 C6 G 01642 157.924 47.624 142.967 1.00737.35 C ATOM 34069 O6 G 01642 157.085 46.920 142.393 1.00737.35 O ATOM 34070 N1 G 01642 158.823 48.378 142.218 1.00737.35 N ATOM 34071 C2 G 01642 159.796 49.194 142.738 1.00737.35 C ATOM 34072 N2 G 01642 160.562 49.841 141.849 1.00737.35 N ATOM 34073 N3 G 01642 160.000 49.365 144.035 1.00737.35 N ATOM 34074 C4 G 01642 159.138 48.639 144.782 1.00737.35 C ATOM 34075 P A 01643 157.199 52.108 149.983 1.00737.35 P ATOM 34076 O1P A 01643 156.289 51.045 150.485 1.00737.35 O ATOM 34077 O2P A 01643 156.817 52.891 148.780 1.00737.35 O ATOM 34078 O5* A 01643 157.476 53.131 151.174 1.00737.35 O ATOM 34079 C5* A 01643 157.859 52.666 152.467 1.00737.35 C ATOM 34080 C4* A 01643 158.525 53.775 153.246 1.00737.35 C ATOM 34081 O4* A 01643 159.771 54.140 152.591 1.00737.35 O ATOM 34082 C3* A 01643 157.741 55.075 153.324 1.00737.35 C ATOM 34083 O3* A 01643 156.801 55.046 154.394 1.00737.35 O ATOM 34084 C2* A 01643 158.841 56.104 153.546 1.00737.35 C ATOM 34085 O2* A 01643 159.286 56.166 154.886 1.00737.35 O ATOM 34086 C1* A 01643 159.950 55.548 152.651 1.00737.35 C ATOM 34087 N9 A 01643 159.909 56.072 151.285 1.00737.35 N ATOM 34088 C8 A 01643 159.476 55.429 150.150 1.00737.35 C ATOM 34089 N7 A 01643 159.552 56.163 149.065 1.00737.35 N ATOM 34090 C5 A 01643 160.067 57.369 149.515 1.00737.35 C ATOM 34091 C6 A 01643 160.381 58.566 148.849 1.00737.35 C ATOM 34092 N6 A 01643 160.212 58.748 147.539 1.00737.35 N ATOM 34093 N1 A 01643 160.877 59.583 149.586 1.00737.35 N ATOM 34094 C2 A 01643 161.045 59.398 150.900 1.00737.35 C ATOM 34095 N3 A 01643 160.788 58.323 151.642 1.00737.35 N ATOM 34096 C4 A 01643 160.294 57.329 150.878 1.00737.35 C ATOM 34097 P G 01644 155.472 55.949 154.310 1.00737.35 P ATOM 34098 O1P G 01644 154.660 55.650 155.517 1.00737.35 O ATOM 34099 O2P G 01644 154.869 55.780 152.962 1.00737.35 O ATOM 34100 O5* G 01644 156.019 57.442 154.429 1.00737.35 O ATOM 34101 C5* G 01644 156.592 57.914 155.646 1.00737.35 C ATOM 34102 C4* G 01644 156.861 59.399 155.557 1.00737.35 C ATOM 34103 O4* G 01644 157.914 59.649 154.592 1.00737.35 O ATOM 34104 C3* G 01644 155.700 60.255 155.075 1.00737.35 C ATOM 34105 O3* G 01644 154.806 60.559 156.142 1.00737.35 O ATOM 34106 C2* G 01644 156.412 61.498 154.552 1.00737.35 C ATOM 34107 O2* G 01644 156.767 62.407 155.573 1.00737.35 O ATOM 34108 C1* G 01644 157.678 60.887 153.939 1.00737.35 C ATOM 34109 N9 G 01644 157.576 60.646 152.502 1.00737.35 N ATOM 34110 C8 G 01644 157.416 59.436 151.865 1.00737.35 C ATOM 34111 N7 G 01644 157.359 59.543 150.566 1.00737.35 N ATOM 34112 C5 G 01644 157.490 60.904 150.326 1.00737.35 C ATOM 34113 C6 G 01644 157.503 61.627 149.105 1.00737.35 C ATOM 34114 O6 G 01644 157.399 61.193 147.950 1.00737.35 O ATOM 34115 N1 G 01644 157.652 62.994 149.320 1.00737.35 N ATOM 34116 C2 G 01644 157.777 63.592 150.550 1.00737.35 C ATOM 34117 N2 G 01644 157.913 64.925 150.549 1.00737.35 N ATOM 34118 N3 G 01644 157.768 62.929 151.695 1.00737.35 N ATOM 34119 C4 G 01644 157.623 61.600 151.510 1.00737.35 C ATOM 34120 P U 01645 153.258 60.860 155.821 1.00737.35 P ATOM 34121 O1P U 01645 152.561 61.012 157.123 1.00737.35 O ATOM 34122 O2P U 01645 152.771 59.854 154.844 1.00737.35 O ATOM 34123 O5* U 01645 153.287 62.281 155.102 1.00737.35 O ATOM 34124 C5* U 01645 153.658 63.458 155.819 1.00737.35 C ATOM 34125 C4* U 01645 153.653 64.660 154.904 1.00737.35 C ATOM 34126 O4* U 01645 154.673 64.499 153.884 1.00737.35 O ATOM 34127 C3* U 01645 152.375 64.894 154.114 1.00737.35 C ATOM 34128 O3* U 01645 151.402 65.580 154.895 1.00737.35 O ATOM 34129 C2* U 01645 152.870 65.741 152.948 1.00737.35 C ATOM 34130 O2* U 01645 153.025 67.105 153.283 1.00737.35 O ATOM 34131 C1* U 01645 154.241 65.115 152.678 1.00737.35 C ATOM 34132 N1 U 01645 154.222 64.108 151.607 1.00737.35 N ATOM 34133 C2 U 01645 154.405 64.548 150.301 1.00737.35 C ATOM 34134 O2 U 01645 154.583 65.722 150.011 1.00737.35 O ATOM 34135 N3 U 01645 154.368 63.561 149.347 1.00737.35 N ATOM 34136 C4 U 01645 154.173 62.211 149.551 1.00737.35 C ATOM 34137 O4 U 01645 154.167 61.447 148.584 1.00737.35 O ATOM 34138 C5 U 01645 153.998 61.834 150.920 1.00737.35 C ATOM 34139 C6 U 01645 154.027 62.769 151.875 1.00737.35 C ATOM 34140 P G 01646 149.841 65.437 154.530 1.00737.35 P ATOM 34141 O1P G 01646 149.078 66.178 155.566 1.00737.35 O ATOM 34142 O2P G 01646 149.542 64.004 154.284 1.00737.35 O ATOM 34143 O5* G 01646 149.701 66.220 153.146 1.00737.35 O ATOM 34144 C5* G 01646 149.804 67.642 153.095 1.00737.35 C ATOM 34145 C4* G 01646 149.687 68.131 151.671 1.00737.35 C ATOM 34146 O4* G 01646 150.822 67.660 150.897 1.00737.35 O ATOM 34147 C3* G 01646 148.477 67.637 150.893 1.00737.35 C ATOM 34148 O3* G 01646 147.329 68.431 151.173 1.00737.35 O ATOM 34149 C2* G 01646 148.935 67.796 149.446 1.00737.35 C ATOM 34150 O2* G 01646 148.800 69.118 148.962 1.00737.35 O ATOM 34151 C1* G 01646 150.421 67.436 149.555 1.00737.35 C ATOM 34152 N9 G 01646 150.712 66.048 149.201 1.00737.35 N ATOM 34153 C8 G 01646 150.747 64.963 150.046 1.00737.35 C ATOM 34154 N7 G 01646 151.039 63.847 149.433 1.00737.35 N ATOM 34155 C5 G 01646 151.209 64.217 148.105 1.00737.35 C ATOM 34156 C6 G 01646 151.536 63.434 146.966 1.00737.35 C ATOM 34157 O6 G 01646 151.750 62.217 146.899 1.00737.35 O ATOM 34158 N1 G 01646 151.607 64.212 145.815 1.00737.35 N ATOM 34159 C2 G 01646 151.392 65.567 145.762 1.00737.35 C ATOM 34160 N2 G 01646 151.505 66.139 144.553 1.00737.35 N ATOM 34161 N3 G 01646 151.086 66.307 146.814 1.00737.35 N ATOM 34162 C4 G 01646 151.012 65.573 147.945 1.00737.35 C ATOM 34163 P U 01647 145.876 67.742 151.226 1.00737.35 P ATOM 34164 O1P U 01647 144.892 68.817 151.515 1.00737.35 O ATOM 34165 O2P U 01647 145.951 66.558 152.120 1.00737.35 O ATOM 34166 O5* U 01647 145.638 67.228 149.737 1.00737.35 O ATOM 34167 C5* U 01647 145.387 68.147 148.673 1.00737.35 C ATOM 34168 C4* U 01647 145.041 67.399 147.405 1.00737.35 C ATOM 34169 O4* U 01647 146.196 66.635 146.967 1.00737.35 O ATOM 34170 C3* U 01647 143.930 66.367 147.528 1.00737.35 C ATOM 34171 O3* U 01647 142.651 66.981 147.399 1.00737.35 O ATOM 34172 C2* U 01647 144.233 65.428 146.366 1.00737.35 C ATOM 34173 O2* U 01647 143.760 65.911 145.124 1.00737.35 O ATOM 34174 C1* U 01647 145.764 65.421 146.368 1.00737.35 C ATOM 34175 N1 U 01647 146.351 64.293 147.110 1.00737.35 N ATOM 34176 C2 U 01647 146.617 63.125 146.407 1.00737.35 C ATOM 34177 O2 U 01647 146.388 62.996 145.213 1.00737.35 O ATOM 34178 N3 U 01647 147.161 62.112 147.155 1.00737.35 N ATOM 34179 C4 U 01647 147.462 62.138 148.501 1.00737.35 C ATOM 34180 O4 U 01647 147.953 61.141 149.033 1.00737.35 O ATOM 34181 C5 U 01647 147.163 63.373 149.157 1.00737.35 C ATOM 34182 C6 U 01647 146.632 64.383 148.457 1.00737.35 C ATOM 34183 P C 01648 141.536 66.748 148.533 1.00737.35 P ATOM 34184 O1P C 01648 140.329 67.512 148.126 1.00737.35 O ATOM 34185 O2P C 01648 142.156 67.009 149.859 1.00737.35 O ATOM 34186 O5* C 01648 141.205 65.191 148.441 1.00737.35 O ATOM 34187 C5* C 01648 140.320 64.684 147.443 1.00737.35 C ATOM 34188 C4* C 01648 139.854 63.295 147.815 1.00737.35 C ATOM 34189 O4* C 01648 138.836 62.861 146.876 1.00737.35 O ATOM 34190 C3* C 01648 140.914 62.206 147.751 1.00737.35 C ATOM 34191 O3* C 01648 141.672 62.160 148.956 1.00737.35 O ATOM 34192 C2* C 01648 140.077 60.948 147.559 1.00737.35 C ATOM 34193 O2* C 01648 139.533 60.452 148.768 1.00737.35 O ATOM 34194 C1* C 01648 138.949 61.463 146.658 1.00737.35 C ATOM 34195 N1 C 01648 139.179 61.222 145.218 1.00737.35 N ATOM 34196 C2 C 01648 138.759 60.004 144.658 1.00737.35 C ATOM 34197 O2 C 01648 138.210 59.158 145.386 1.00737.35 O ATOM 34198 N3 C 01648 138.962 59.777 143.340 1.00737.35 N ATOM 34199 C4 C 01648 139.555 60.708 142.588 1.00737.35 C ATOM 34200 N4 C 01648 139.730 60.442 141.290 1.00737.35 N ATOM 34201 C5 C 01648 139.994 61.950 143.129 1.00737.35 C ATOM 34202 C6 C 01648 139.789 62.163 144.436 1.00737.35 C ATOM 34203 P A 01649 143.233 61.768 148.904 1.00737.35 P ATOM 34204 O1P A 01649 143.737 61.772 150.302 1.00737.35 O ATOM 34205 O2P A 01649 143.893 62.622 147.884 1.00737.35 O ATOM 34206 O5* A 01649 143.236 60.266 148.372 1.00737.35 O ATOM 34207 C5* A 01649 142.670 59.210 149.149 1.00737.35 C ATOM 34208 C4* A 01649 142.660 57.924 148.357 1.00737.35 C ATOM 34209 O4* A 01649 141.814 58.090 147.187 1.00737.35 O ATOM 34210 C3* A 01649 144.001 57.482 147.794 1.00737.35 C ATOM 34211 O3* A 01649 144.743 56.746 148.764 1.00737.35 O ATOM 34212 C2* A 01649 143.587 56.613 146.612 1.00737.35 C ATOM 34213 O2* A 01649 143.222 55.298 146.990 1.00737.35 O ATOM 34214 C1* A 01649 142.357 57.362 146.096 1.00737.35 C ATOM 34215 N9 A 01649 142.651 58.305 145.013 1.00737.35 N ATOM 34216 C8 A 01649 143.211 59.556 145.106 1.00737.35 C ATOM 34217 N7 A 01649 143.348 60.161 143.952 1.00737.35 N ATOM 34218 C5 A 01649 142.845 59.250 143.035 1.00737.35 C ATOM 34219 C6 A 01649 142.707 59.293 141.638 1.00737.35 C ATOM 34220 N6 A 01649 143.078 60.333 140.888 1.00737.35 N ATOM 34221 N1 A 01649 142.166 58.215 141.025 1.00737.35 N ATOM 34222 C2 A 01649 141.794 57.173 141.778 1.00737.35 C ATOM 34223 N3 A 01649 141.873 57.015 143.097 1.00737.35 N ATOM 34224 C4 A 01649 142.413 58.100 143.675 1.00737.35 C ATOM 34225 P A 01650 146.346 56.849 148.792 1.00737.35 P ATOM 34226 O1P A 01650 146.821 56.031 149.937 1.00737.35 O ATOM 34227 O2P A 01650 146.727 58.282 148.707 1.00737.35 O ATOM 34228 O5* A 01650 146.802 56.133 147.443 1.00737.35 O ATOM 34229 C5* A 01650 146.646 54.727 147.267 1.00737.35 C ATOM 34230 C4* A 01650 146.968 54.338 145.842 1.00737.35 C ATOM 34231 O4* A 01650 146.018 54.973 144.950 1.00737.35 O ATOM 34232 C3* A 01650 148.329 54.779 145.330 1.00737.35 C ATOM 34233 O3* A 01650 149.343 53.842 145.686 1.00737.35 O ATOM 34234 C2* A 01650 148.109 54.827 143.820 1.00737.35 C ATOM 34235 O2* A 01650 148.211 53.561 143.201 1.00737.35 O ATOM 34236 C1* A 01650 146.664 55.328 143.738 1.00737.35 C ATOM 34237 N9 A 01650 146.552 56.776 143.560 1.00737.35 N ATOM 34238 C8 A 01650 146.596 57.755 144.523 1.00737.35 C ATOM 34239 N7 A 01650 146.464 58.971 144.049 1.00737.35 N ATOM 34240 C5 A 01650 146.324 58.780 142.680 1.00737.35 C ATOM 34241 C6 A 01650 146.148 59.679 141.615 1.00737.35 C ATOM 34242 N6 A 01650 146.076 61.005 141.766 1.00737.35 N ATOM 34243 N1 A 01650 146.041 59.166 140.370 1.00737.35 N ATOM 34244 C2 A 01650 146.110 57.837 140.219 1.00737.35 C ATOM 34245 N3 A 01650 146.274 56.891 141.141 1.00737.35 N ATOM 34246 C4 A 01650 146.377 57.435 142.366 1.00737.35 C ATOM 34247 P U 01651 150.844 54.350 145.962 1.00737.35 P ATOM 34248 O1P U 01651 151.216 53.887 147.323 1.00737.35 O ATOM 34249 O2P U 01651 150.940 55.795 145.627 1.00737.35 O ATOM 34250 O5* U 01651 151.723 53.531 144.915 1.00737.35 O ATOM 34251 C5* U 01651 152.974 54.033 144.455 1.00737.35 C ATOM 34252 C4* U 01651 153.406 53.306 143.198 1.00737.35 C ATOM 34253 O4* U 01651 153.718 51.926 143.513 1.00737.35 O ATOM 34254 C3* U 01651 152.352 53.216 142.107 1.00737.35 C ATOM 34255 O3* U 01651 152.338 54.399 141.316 1.00737.35 O ATOM 34256 C2* U 01651 152.813 51.999 141.311 1.00737.35 C ATOM 34257 O2* U 01651 153.847 52.294 140.393 1.00737.35 O ATOM 34258 C1* U 01651 153.354 51.094 142.422 1.00737.35 C ATOM 34259 N1 U 01651 152.387 50.085 142.896 1.00737.35 N ATOM 34260 C2 U 01651 152.276 48.905 142.173 1.00737.35 C ATOM 34261 O2 U 01651 152.935 48.670 141.170 1.00737.35 O ATOM 34262 N3 U 01651 151.362 48.008 142.666 1.00737.35 N ATOM 34263 C4 U 01651 150.564 48.162 143.782 1.00737.35 C ATOM 34264 O4 U 01651 149.788 47.260 144.099 1.00737.35 O ATOM 34265 C5 U 01651 150.737 49.401 144.475 1.00737.35 C ATOM 34266 C6 U 01651 151.617 50.299 144.020 1.00737.35 C ATOM 34267 P G 01652 151.096 55.413 141.422 1.00737.35 P ATOM 34268 O1P G 01652 151.181 56.073 142.750 1.00737.35 O ATOM 34269 O2P G 01652 149.860 54.681 141.049 1.00737.35 O ATOM 34270 O5* G 01652 151.393 56.515 140.312 1.00737.35 O ATOM 34271 C5* G 01652 151.181 56.244 138.927 1.00737.35 C ATOM 34272 C4* G 01652 150.818 57.516 138.197 1.00737.35 C ATOM 34273 O4* G 01652 149.587 58.048 138.759 1.00737.35 O ATOM 34274 C3* G 01652 151.821 58.652 138.334 1.00737.35 C ATOM 34275 O3* G 01652 152.854 58.547 137.359 1.00737.35 O ATOM 34276 C2* G 01652 150.949 59.881 138.111 1.00737.35 C ATOM 34277 O2* G 01652 150.689 60.141 136.745 1.00737.35 O ATOM 34278 C1* G 01652 149.658 59.464 138.814 1.00737.35 C ATOM 34279 N9 G 01652 149.607 59.873 140.217 1.00737.35 N ATOM 34280 C8 G 01652 149.966 59.124 141.314 1.00737.35 C ATOM 34281 N7 G 01652 149.815 59.764 142.443 1.00737.35 N ATOM 34282 C5 G 01652 149.325 61.008 142.072 1.00737.35 C ATOM 34283 C6 G 01652 148.969 62.129 142.865 1.00737.35 C ATOM 34284 O6 G 01652 149.016 62.248 144.094 1.00737.35 O ATOM 34285 N1 G 01652 148.520 63.186 142.082 1.00737.35 N ATOM 34286 C2 G 01652 148.422 63.172 140.714 1.00737.35 C ATOM 34287 N2 G 01652 147.965 64.294 140.141 1.00737.35 N ATOM 34288 N3 G 01652 148.752 62.133 139.961 1.00737.35 N ATOM 34289 C4 G 01652 149.191 61.092 140.702 1.00737.35 C ATOM 34290 P C 01653 154.335 59.067 137.707 1.00737.35 P ATOM 34291 O1P C 01653 155.148 58.950 136.469 1.00737.35 O ATOM 34292 O2P C 01653 154.789 58.387 138.948 1.00737.35 O ATOM 34293 O5* C 01653 154.136 60.614 138.030 1.00737.35 O ATOM 34294 C5* C 01653 153.704 61.526 137.022 1.00737.35 C ATOM 34295 C4* C 01653 153.406 62.879 137.628 1.00737.35 C ATOM 34296 O4* C 01653 152.303 62.756 138.564 1.00737.35 O ATOM 34297 C3* C 01653 154.528 63.496 138.449 1.00737.35 C ATOM 34298 O3* C 01653 155.456 64.178 137.613 1.00737.35 O ATOM 34299 C2* C 01653 153.769 64.453 139.363 1.00737.35 C ATOM 34300 O2* C 01653 153.441 65.678 138.737 1.00737.35 O ATOM 34301 C1* C 01653 152.491 63.657 139.645 1.00737.35 C ATOM 34302 N1 C 01653 152.538 62.886 140.906 1.00737.35 N ATOM 34303 C2 C 01653 152.150 63.516 142.100 1.00737.35 C ATOM 34304 O2 C 01653 151.776 64.700 142.068 1.00737.35 O ATOM 34305 N3 C 01653 152.191 62.816 143.257 1.00737.35 N ATOM 34306 C4 C 01653 152.597 61.545 143.255 1.00737.35 C ATOM 34307 N4 C 01653 152.621 60.896 144.420 1.00737.35 N ATOM 34308 C5 C 01653 152.997 60.881 142.059 1.00737.35 C ATOM 34309 C6 C 01653 152.953 61.581 140.918 1.00737.35 C ATOM 34310 P A 01654 156.984 64.341 138.083 1.00737.35 P ATOM 34311 O1P A 01654 157.735 64.940 136.950 1.00737.35 O ATOM 34312 O2P A 01654 157.441 63.050 138.661 1.00737.35 O ATOM 34313 O5* A 01654 156.911 65.412 139.260 1.00737.35 O ATOM 34314 C5* A 01654 156.673 66.791 138.984 1.00737.35 C ATOM 34315 C4* A 01654 156.625 67.587 140.268 1.00737.35 C ATOM 34316 O4* A 01654 155.474 67.178 141.051 1.00737.35 O ATOM 34317 C3* A 01654 157.806 67.395 141.208 1.00737.35 C ATOM 34318 O3* A 01654 158.896 68.232 140.835 1.00737.35 O ATOM 34319 C2* A 01654 157.213 67.786 142.556 1.00737.35 C ATOM 34320 O2* A 01654 157.169 69.184 142.759 1.00737.35 O ATOM 34321 C1* A 01654 155.790 67.233 142.433 1.00737.35 C ATOM 34322 N9 A 01654 155.627 65.892 143.000 1.00737.35 N ATOM 34323 C8 A 01654 155.754 64.681 142.361 1.00737.35 C ATOM 34324 N7 A 01654 155.544 63.649 143.140 1.00737.35 N ATOM 34325 C5 A 01654 155.259 64.215 144.375 1.00737.35 C ATOM 34326 C6 A 01654 154.947 63.649 145.624 1.00737.35 C ATOM 34327 N6 A 01654 154.863 62.333 145.841 1.00737.35 N ATOM 34328 N1 A 01654 154.719 64.491 146.655 1.00737.35 N ATOM 34329 C2 A 01654 154.801 65.809 146.435 1.00737.35 C ATOM 34330 N3 A 01654 155.087 66.460 145.308 1.00737.35 N ATOM 34331 C4 A 01654 155.309 65.596 144.302 1.00737.35 C ATOM 34332 P C 01655 160.400 67.797 141.205 1.00737.35 P ATOM 34333 O1P C 01655 161.315 68.687 140.441 1.00737.35 O ATOM 34334 O2P C 01655 160.522 66.324 141.054 1.00737.35 O ATOM 34335 O5* C 01655 160.534 68.153 142.750 1.00737.35 O ATOM 34336 C5* C 01655 160.442 69.503 143.205 1.00737.35 C ATOM 34337 C4* C 01655 160.250 69.543 144.702 1.00737.35 C ATOM 34338 O4* C 01655 159.005 68.878 145.043 1.00737.35 O ATOM 34339 C3* C 01655 161.304 68.818 145.528 1.00737.35 C ATOM 34340 O3* C 01655 162.431 69.660 145.761 1.00737.35 O ATOM 34341 C2* C 01655 160.550 68.505 146.816 1.00737.35 C ATOM 34342 O2* C 01655 160.495 69.598 147.710 1.00737.35 O ATOM 34343 C1* C 01655 159.148 68.201 146.282 1.00737.35 C ATOM 34344 N1 C 01655 158.890 66.762 146.068 1.00737.35 N ATOM 34345 C2 C 01655 158.336 66.008 147.117 1.00737.35 C ATOM 34346 O2 C 01655 158.078 66.568 148.197 1.00737.35 O ATOM 34347 N3 C 01655 158.101 64.689 146.928 1.00737.35 N ATOM 34348 C4 C 01655 158.390 64.119 145.757 1.00737.35 C ATOM 34349 N4 C 01655 158.136 62.817 145.617 1.00737.35 N ATOM 34350 C5 C 01655 158.953 64.859 144.677 1.00737.35 C ATOM 34351 C6 C 01655 159.184 66.164 144.874 1.00737.35 C ATOM 34352 P U 01656 163.852 69.008 146.139 1.00737.35 P ATOM 34353 O1P U 01656 164.835 70.116 146.230 1.00737.35 O ATOM 34354 O2P U 01656 164.110 67.872 145.215 1.00737.35 O ATOM 34355 O5* U 01656 163.625 68.427 147.606 1.00737.35 O ATOM 34356 C5* U 01656 164.444 67.378 148.116 1.00737.35 C ATOM 34357 C4* U 01656 163.884 66.869 149.425 1.00737.35 C ATOM 34358 O4* U 01656 162.478 66.544 149.251 1.00737.35 O ATOM 34359 C3* U 01656 164.518 65.588 149.943 1.00737.35 C ATOM 34360 O3* U 01656 165.691 65.867 150.704 1.00737.35 O ATOM 34361 C2* U 01656 163.404 65.000 150.802 1.00737.35 C ATOM 34362 O2* U 01656 163.324 65.586 152.087 1.00737.35 O ATOM 34363 C1* U 01656 162.166 65.368 149.983 1.00737.35 C ATOM 34364 N1 U 01656 161.750 64.322 149.029 1.00737.35 N ATOM 34365 C2 U 01656 161.087 63.209 149.530 1.00737.35 C ATOM 34366 O2 U 01656 160.838 63.055 150.718 1.00737.35 O ATOM 34367 N3 U 01656 160.725 62.278 148.586 1.00737.35 N ATOM 34368 C4 U 01656 160.951 62.343 147.225 1.00737.35 C ATOM 34369 O4 U 01656 160.551 61.431 146.501 1.00737.35 O ATOM 34370 C5 U 01656 161.640 63.516 146.790 1.00737.35 C ATOM 34371 C6 U 01656 162.007 64.441 147.681 1.00737.35 C ATOM 34372 P A 01657 166.990 64.926 150.553 1.00737.35 P ATOM 34373 O1P A 01657 168.142 65.693 151.091 1.00737.35 O ATOM 34374 O2P A 01657 167.046 64.399 149.166 1.00737.35 O ATOM 34375 O5* A 01657 166.714 63.708 151.545 1.00737.35 O ATOM 34376 C5* A 01657 165.644 62.794 151.315 1.00737.35 C ATOM 34377 C4* A 01657 165.470 61.885 152.510 1.00737.35 C ATOM 34378 O4* A 01657 164.287 61.064 152.325 1.00737.35 O ATOM 34379 C3* A 01657 166.591 60.885 152.737 1.00737.35 C ATOM 34380 O3* A 01657 167.662 61.475 153.468 1.00737.35 O ATOM 34381 C2* A 01657 165.892 59.790 153.534 1.00737.35 C ATOM 34382 O2* A 01657 165.776 60.094 154.911 1.00737.35 O ATOM 34383 C1* A 01657 164.506 59.780 152.887 1.00737.35 C ATOM 34384 N9 A 01657 164.360 58.778 151.827 1.00737.35 N ATOM 34385 C8 A 01657 164.533 58.942 150.474 1.00737.35 C ATOM 34386 N7 A 01657 164.331 57.850 149.777 1.00737.35 N ATOM 34387 C5 A 01657 164.000 56.901 150.736 1.00737.35 C ATOM 34388 C6 A 01657 163.672 55.538 150.640 1.00737.35 C ATOM 34389 N6 A 01657 163.617 54.866 149.487 1.00737.35 N ATOM 34390 N1 A 01657 163.399 54.877 151.787 1.00737.35 N ATOM 34391 C2 A 01657 163.452 55.551 152.943 1.00737.35 C ATOM 34392 N3 A 01657 163.749 56.830 153.161 1.00737.35 N ATOM 34393 C4 A 01657 164.016 57.458 152.002 1.00737.35 C ATOM 34394 P A 01658 169.179 61.213 153.008 1.00737.35 P ATOM 34395 O1P A 01658 170.064 61.797 154.051 1.00737.35 O ATOM 34396 O2P A 01658 169.323 61.653 151.597 1.00737.35 O ATOM 34397 O5* A 01658 169.326 59.627 153.053 1.00737.35 O ATOM 34398 C5* A 01658 169.358 58.925 154.295 1.00737.35 C ATOM 34399 C4* A 01658 169.388 57.433 154.053 1.00737.35 C ATOM 34400 O4* A 01658 168.142 57.020 153.435 1.00737.35 O ATOM 34401 C3* A 01658 170.461 56.946 153.092 1.00737.35 C ATOM 34402 O3* A 01658 171.705 56.764 153.761 1.00737.35 O ATOM 34403 C2* A 01658 169.879 55.625 152.604 1.00737.35 C ATOM 34404 O2* A 01658 170.083 54.558 153.510 1.00737.35 O ATOM 34405 C1* A 01658 168.388 55.960 152.523 1.00737.35 C ATOM 34406 N9 A 01658 167.958 56.385 151.190 1.00737.35 N ATOM 34407 C8 A 01658 167.972 57.651 150.657 1.00737.35 C ATOM 34408 N7 A 01658 167.520 57.715 149.427 1.00737.35 N ATOM 34409 C5 A 01658 167.189 56.401 149.129 1.00737.35 C ATOM 34410 C6 A 01658 166.655 55.800 147.973 1.00737.35 C ATOM 34411 N6 A 01658 166.354 56.473 146.862 1.00737.35 N ATOM 34412 N1 A 01658 166.441 54.467 148.000 1.00737.35 N ATOM 34413 C2 A 01658 166.748 53.793 149.117 1.00737.35 C ATOM 34414 N3 A 01658 167.252 54.242 150.261 1.00737.35 N ATOM 34415 C4 A 01658 167.452 55.570 150.204 1.00737.35 C ATOM 34416 P G 01659 173.053 57.348 153.106 1.00737.35 P ATOM 34417 O1P G 01659 174.197 56.782 153.868 1.00737.35 O ATOM 34418 O2P G 01659 172.914 58.823 152.984 1.00737.35 O ATOM 34419 O5* G 01659 173.075 56.726 151.638 1.00737.35 O ATOM 34420 C5* G 01659 173.130 55.316 151.442 1.00737.35 C ATOM 34421 C4* G 01659 172.800 54.972 150.007 1.00737.35 C ATOM 34422 O4* G 01659 171.445 55.399 149.709 1.00737.35 O ATOM 34423 C3* G 01659 173.647 55.657 148.945 1.00737.35 C ATOM 34424 O3* G 01659 174.873 54.962 148.739 1.00737.35 O ATOM 34425 C2* G 01659 172.739 55.592 147.723 1.00737.35 C ATOM 34426 O2* G 01659 172.765 54.334 147.076 1.00737.35 O ATOM 34427 C1* G 01659 171.364 55.819 148.356 1.00737.35 C ATOM 34428 N9 G 01659 170.939 57.218 148.325 1.00737.35 N ATOM 34429 C8 G 01659 171.190 58.187 149.269 1.00737.35 C ATOM 34430 N7 G 01659 170.683 59.348 148.957 1.00737.35 N ATOM 34431 C5 G 01659 170.057 59.136 147.737 1.00737.35 C ATOM 34432 C6 G 01659 169.334 60.032 146.907 1.00737.35 C ATOM 34433 O6 G 01659 169.095 61.233 147.088 1.00737.35 O ATOM 34434 N1 G 01659 168.868 59.401 145.756 1.00737.35 N ATOM 34435 C2 G 01659 169.069 58.079 145.445 1.00737.35 C ATOM 34436 N2 G 01659 168.540 57.656 144.289 1.00737.35 N ATOM 34437 N3 G 01659 169.741 57.234 146.209 1.00737.35 N ATOM 34438 C4 G 01659 170.204 57.826 147.333 1.00737.35 C ATOM 34439 P G 01660 176.130 55.735 148.095 1.00737.35 P ATOM 34440 O1P G 01660 177.303 54.831 148.203 1.00737.35 O ATOM 34441 O2P G 01660 176.202 57.098 148.681 1.00737.35 O ATOM 34442 O5* G 01660 175.749 55.874 146.553 1.00737.35 O ATOM 34443 C5* G 01660 175.584 54.719 145.736 1.00737.35 C ATOM 34444 C4* G 01660 174.928 55.087 144.423 1.00737.35 C ATOM 34445 O4* G 01660 173.613 55.644 144.683 1.00737.35 O ATOM 34446 C3* G 01660 175.629 56.157 143.601 1.00737.35 C ATOM 34447 O3* G 01660 176.677 55.596 142.816 1.00737.35 O ATOM 34448 C2* G 01660 174.491 56.685 142.734 1.00737.35 C ATOM 34449 O2* G 01660 174.211 55.860 141.621 1.00737.35 O ATOM 34450 C1* G 01660 173.316 56.638 143.714 1.00737.35 C ATOM 34451 N9 G 01660 173.085 57.908 144.402 1.00737.35 N ATOM 34452 C8 G 01660 173.510 58.267 145.659 1.00737.35 C ATOM 34453 N7 G 01660 173.151 59.477 145.998 1.00737.35 N ATOM 34454 C5 G 01660 172.448 59.945 144.898 1.00737.35 C ATOM 34455 C6 G 01660 171.817 61.199 144.675 1.00737.35 C ATOM 34456 O6 G 01660 171.751 62.174 145.434 1.00737.35 O ATOM 34457 N1 G 01660 171.219 61.254 143.421 1.00737.35 N ATOM 34458 C2 G 01660 171.227 60.239 142.497 1.00737.35 C ATOM 34459 N2 G 01660 170.593 60.489 141.341 1.00737.35 N ATOM 34460 N3 G 01660 171.809 59.070 142.690 1.00737.35 N ATOM 34461 C4 G 01660 172.397 58.991 143.904 1.00737.35 C ATOM 34462 P C 01661 177.881 56.535 142.301 1.00737.35 P ATOM 34463 O1P C 01661 178.874 55.651 141.638 1.00737.35 O ATOM 34464 O2P C 01661 178.311 57.412 143.420 1.00737.35 O ATOM 34465 O5* C 01661 177.206 57.449 141.184 1.00737.35 O ATOM 34466 C5* C 01661 176.585 56.866 140.038 1.00737.35 C ATOM 34467 C4* C 01661 175.763 57.898 139.300 1.00737.35 C ATOM 34468 O4* C 01661 174.738 58.422 140.185 1.00737.35 O ATOM 34469 C3* C 01661 176.513 59.132 138.824 1.00737.35 C ATOM 34470 O3* C 01661 177.147 58.883 137.572 1.00737.35 O ATOM 34471 C2* C 01661 175.392 60.158 138.695 1.00737.35 C ATOM 34472 O2* C 01661 174.655 60.025 137.496 1.00737.35 O ATOM 34473 C1* C 01661 174.501 59.788 139.884 1.00737.35 C ATOM 34474 N1 C 01661 174.749 60.597 141.094 1.00737.35 N ATOM 34475 C2 C 01661 174.154 61.869 141.196 1.00737.35 C ATOM 34476 O2 C 01661 173.442 62.283 140.266 1.00737.35 O ATOM 34477 N3 C 01661 174.374 62.611 142.306 1.00737.35 N ATOM 34478 C4 C 01661 175.148 62.142 143.284 1.00737.35 C ATOM 34479 N4 C 01661 175.335 62.912 144.358 1.00737.35 N ATOM 34480 C5 C 01661 175.767 60.858 143.208 1.00737.35 C ATOM 34481 C6 C 01661 175.544 60.130 142.107 1.00737.35 C ATOM 34482 P G 01662 178.447 59.733 137.149 1.00737.35 P ATOM 34483 O1P G 01662 178.942 59.170 135.865 1.00737.35 O ATOM 34484 O2P G 01662 179.363 59.811 138.317 1.00737.35 O ATOM 34485 O5* G 01662 177.880 61.194 136.862 1.00737.35 O ATOM 34486 C5* G 01662 176.832 61.404 135.916 1.00737.35 C ATOM 34487 C4* G 01662 176.462 62.867 135.857 1.00737.35 C ATOM 34488 O4* G 01662 176.032 63.304 137.170 1.00737.35 O ATOM 34489 C3* G 01662 177.594 63.816 135.493 1.00737.35 C ATOM 34490 O3* G 01662 177.727 63.910 134.077 1.00737.35 O ATOM 34491 C2* G 01662 177.122 65.131 136.102 1.00737.35 C ATOM 34492 O2* G 01662 176.184 65.814 135.294 1.00737.35 O ATOM 34493 C1* G 01662 176.440 64.645 137.386 1.00737.35 C ATOM 34494 N9 G 01662 177.307 64.679 138.562 1.00737.35 N ATOM 34495 C8 G 01662 178.277 63.767 138.906 1.00737.35 C ATOM 34496 N7 G 01662 178.892 64.068 140.017 1.00737.35 N ATOM 34497 C5 G 01662 178.293 65.249 140.435 1.00737.35 C ATOM 34498 C6 G 01662 178.541 66.052 141.579 1.00737.35 C ATOM 34499 O6 G 01662 179.367 65.875 142.481 1.00737.35 O ATOM 34500 N1 G 01662 177.706 67.163 141.614 1.00737.35 N ATOM 34501 C2 G 01662 176.753 67.465 140.672 1.00737.35 C ATOM 34502 N2 G 01662 176.044 68.583 140.886 1.00737.35 N ATOM 34503 N3 G 01662 176.512 66.726 139.600 1.00737.35 N ATOM 34504 C4 G 01662 177.312 65.641 139.547 1.00737.35 C ATOM 34505 P C 01663 179.181 63.802 133.396 1.00737.35 P ATOM 34506 O1P C 01663 180.167 63.407 134.437 1.00737.35 O ATOM 34507 O2P C 01663 179.406 65.042 132.609 1.00737.35 O ATOM 34508 O5* C 01663 179.029 62.591 132.370 1.00737.35 O ATOM 34509 C5* C 01663 179.092 61.237 132.812 1.00737.35 C ATOM 34510 C4* C 01663 177.982 60.424 132.181 1.00737.35 C ATOM 34511 O4* C 01663 176.702 60.922 132.647 1.00737.35 O ATOM 34512 C3* C 01663 177.887 60.495 130.664 1.00737.35 C ATOM 34513 O3* C 01663 178.771 59.559 130.053 1.00737.35 O ATOM 34514 C2* C 01663 176.423 60.137 130.416 1.00737.35 C ATOM 34515 O2* C 01663 176.176 58.745 130.456 1.00737.35 O ATOM 34516 C1* C 01663 175.741 60.816 131.606 1.00737.35 C ATOM 34517 N1 C 01663 175.224 62.165 131.300 1.00737.35 N ATOM 34518 C2 C 01663 173.912 62.297 130.813 1.00737.35 C ATOM 34519 O2 C 01663 173.220 61.278 130.654 1.00737.35 O ATOM 34520 N3 C 01663 173.433 63.530 130.530 1.00737.35 N ATOM 34521 C4 C 01663 174.205 64.605 130.714 1.00737.35 C ATOM 34522 N4 C 01663 173.689 65.800 130.422 1.00737.35 N ATOM 34523 C5 C 01663 175.539 64.500 131.204 1.00737.35 C ATOM 34524 C6 C 01663 176.002 63.276 131.482 1.00737.35 C ATOM 34525 P G 01664 179.380 59.867 128.595 1.00737.35 P ATOM 34526 O1P G 01664 178.236 60.104 127.675 1.00737.35 O ATOM 34527 O2P G 01664 180.368 58.807 128.274 1.00737.35 O ATOM 34528 O5* G 01664 180.165 61.243 128.772 1.00737.35 O ATOM 34529 C5* G 01664 180.986 61.481 129.912 1.00737.35 C ATOM 34530 C4* G 01664 182.293 62.127 129.508 1.00737.35 C ATOM 34531 O4* G 01664 183.074 62.307 130.718 1.00737.35 O ATOM 34532 C3* G 01664 183.169 61.281 128.585 1.00737.35 C ATOM 34533 O3* G 01664 183.002 61.521 127.175 1.00737.35 O ATOM 34534 C2* G 01664 184.583 61.686 128.990 1.00737.35 C ATOM 34535 O2* G 01664 185.043 62.858 128.342 1.00737.35 O ATOM 34536 C1* G 01664 184.422 61.950 130.487 1.00737.35 C ATOM 34537 N9 G 01664 184.743 60.804 131.333 1.00737.35 N ATOM 34538 C8 G 01664 184.064 59.612 131.420 1.00737.35 C ATOM 34539 N7 G 01664 184.597 58.779 132.272 1.00737.35 N ATOM 34540 C5 G 01664 185.694 59.460 132.778 1.00737.35 C ATOM 34541 C6 G 01664 186.657 59.065 133.742 1.00737.35 C ATOM 34542 O6 G 01664 186.736 57.997 134.361 1.00737.35 O ATOM 34543 N1 G 01664 187.599 60.066 133.964 1.00737.35 N ATOM 34544 C2 G 01664 187.615 61.287 133.339 1.00737.35 C ATOM 34545 N2 G 01664 188.608 62.118 133.685 1.00737.35 N ATOM 34546 N3 G 01664 186.727 61.667 132.437 1.00737.35 N ATOM 34547 C4 G 01664 185.801 60.711 132.209 1.00737.35 C ATOM 34548 P C 01665 182.196 62.818 126.638 1.00737.35 P ATOM 34549 O1P C 01665 180.795 62.806 127.118 1.00737.35 O ATOM 34550 O2P C 01665 182.465 62.883 125.181 1.00737.35 O ATOM 34551 O5* C 01665 182.954 64.051 127.311 1.00737.35 O ATOM 34552 C5* C 01665 182.419 65.372 127.245 1.00737.35 C ATOM 34553 C4* C 01665 183.348 66.341 127.938 1.00737.35 C ATOM 34554 O4* C 01665 184.624 66.360 127.240 1.00737.35 O ATOM 34555 C3* C 01665 182.915 67.798 127.939 1.00737.35 C ATOM 34556 O3* C 01665 181.992 68.061 128.992 1.00737.35 O ATOM 34557 C2* C 01665 184.240 68.521 128.148 1.00737.35 C ATOM 34558 O2* C 01665 184.672 68.517 129.495 1.00737.35 O ATOM 34559 C1* C 01665 185.185 67.663 127.304 1.00737.35 C ATOM 34560 N1 C 01665 185.356 68.182 125.929 1.00737.35 N ATOM 34561 C2 C 01665 186.390 69.100 125.673 1.00737.35 C ATOM 34562 O2 C 01665 187.149 69.436 126.599 1.00737.35 O ATOM 34563 N3 C 01665 186.536 69.595 124.424 1.00737.35 N ATOM 34564 C4 C 01665 185.707 69.210 123.450 1.00737.35 C ATOM 34565 N4 C 01665 185.886 69.738 122.236 1.00737.35 N ATOM 34566 C5 C 01665 184.656 68.275 123.678 1.00737.35 C ATOM 34567 C6 C 01665 184.518 67.790 124.919 1.00737.35 C ATOM 34568 P G 01666 181.034 69.351 128.915 1.00737.35 P ATOM 34569 O1P G 01666 180.056 69.267 130.029 1.00737.35 O ATOM 34570 O2P G 01666 180.544 69.473 127.516 1.00737.35 O ATOM 34571 O5* G 01666 182.014 70.575 129.203 1.00737.35 O ATOM 34572 C5* G 01666 182.711 70.676 130.442 1.00737.35 C ATOM 34573 C4* G 01666 183.775 71.747 130.369 1.00737.35 C ATOM 34574 O4* G 01666 184.724 71.415 129.318 1.00737.35 O ATOM 34575 C3* G 01666 183.305 73.145 130.004 1.00737.35 C ATOM 34576 O3* G 01666 182.802 73.832 131.146 1.00737.35 O ATOM 34577 C2* G 01666 184.583 73.785 129.474 1.00737.35 C ATOM 34578 O2* G 01666 185.444 74.237 130.502 1.00737.35 O ATOM 34579 C1* G 01666 185.232 72.608 128.742 1.00737.35 C ATOM 34580 N9 G 01666 184.950 72.599 127.308 1.00737.35 N ATOM 34581 C8 G 01666 183.937 71.936 126.657 1.00737.35 C ATOM 34582 N7 G 01666 183.943 72.129 125.366 1.00737.35 N ATOM 34583 C5 G 01666 185.026 72.969 125.149 1.00737.35 C ATOM 34584 C6 G 01666 185.535 73.526 123.943 1.00737.35 C ATOM 34585 O6 G 01666 185.112 73.384 122.790 1.00737.35 O ATOM 34586 N1 G 01666 186.651 74.322 124.181 1.00737.35 N ATOM 34587 C2 G 01666 187.210 74.553 125.413 1.00737.35 C ATOM 34588 N2 G 01666 188.286 75.352 125.435 1.00737.35 N ATOM 34589 N3 G 01666 186.746 74.044 126.541 1.00737.35 N ATOM 34590 C4 G 01666 185.662 73.266 126.336 1.00737.35 C ATOM 34591 P A 01667 181.822 75.094 130.958 1.00737.35 P ATOM 34592 O1P A 01667 181.350 75.517 132.300 1.00737.35 O ATOM 34593 O2P A 01667 180.828 74.741 129.910 1.00737.35 O ATOM 34594 O5* A 01667 182.771 76.234 130.374 1.00737.35 O ATOM 34595 C5* A 01667 183.826 76.784 131.162 1.00737.35 C ATOM 34596 C4* A 01667 184.678 77.714 130.328 1.00737.35 C ATOM 34597 O4* A 01667 185.300 76.964 129.251 1.00737.35 O ATOM 34598 C3* A 01667 183.941 78.838 129.619 1.00737.35 C ATOM 34599 O3* A 01667 183.740 79.949 130.489 1.00737.35 O ATOM 34600 C2* A 01667 184.892 79.175 128.476 1.00737.35 C ATOM 34601 O2* A 01667 185.967 80.008 128.871 1.00737.35 O ATOM 34602 C1* A 01667 185.420 77.788 128.102 1.00737.35 C ATOM 34603 N9 A 01667 184.687 77.164 126.999 1.00737.35 N ATOM 34604 C8 A 01667 183.645 76.268 127.070 1.00737.35 C ATOM 34605 N7 A 01667 183.193 75.890 125.899 1.00737.35 N ATOM 34606 C5 A 01667 183.988 76.581 124.996 1.00737.35 C ATOM 34607 C6 A 01667 184.011 76.617 123.589 1.00737.35 C ATOM 34608 N6 A 01667 183.184 75.912 122.815 1.00737.35 N ATOM 34609 N1 A 01667 184.930 77.414 122.998 1.00737.35 N ATOM 34610 C2 A 01667 185.760 78.120 123.773 1.00737.35 C ATOM 34611 N3 A 01667 185.837 78.171 125.101 1.00737.35 N ATOM 34612 C4 A 01667 184.912 77.370 125.660 1.00737.35 C ATOM 34613 P G 01668 182.542 80.983 130.202 1.00737.35 P ATOM 34614 O1P G 01668 182.436 81.902 131.364 1.00737.35 O ATOM 34615 O2P G 01668 181.356 80.194 129.782 1.00737.35 O ATOM 34616 O5* G 01668 183.047 81.818 128.940 1.00737.35 O ATOM 34617 C5* G 01668 184.112 82.758 129.062 1.00737.35 C ATOM 34618 C4* G 01668 184.415 83.391 127.723 1.00737.35 C ATOM 34619 O4* G 01668 184.894 82.371 126.806 1.00737.35 O ATOM 34620 C3* G 01668 183.232 84.023 127.004 1.00737.35 C ATOM 34621 O3* G 01668 183.006 85.354 127.459 1.00737.35 O ATOM 34622 C2* G 01668 183.684 83.987 125.548 1.00737.35 C ATOM 34623 O2* G 01668 184.559 85.048 125.213 1.00737.35 O ATOM 34624 C1* G 01668 184.437 82.656 125.493 1.00737.35 C ATOM 34625 N9 G 01668 183.612 81.540 125.036 1.00737.35 N ATOM 34626 C8 G 01668 183.071 80.534 125.804 1.00737.35 C ATOM 34627 N7 G 01668 182.378 79.673 125.110 1.00737.35 N ATOM 34628 C5 G 01668 182.466 80.135 123.804 1.00737.35 C ATOM 34629 C6 G 01668 181.913 79.612 122.605 1.00737.35 C ATOM 34630 O6 G 01668 181.216 78.602 122.455 1.00737.35 O ATOM 34631 N1 G 01668 182.247 80.394 121.506 1.00737.35 N ATOM 34632 C2 G 01668 183.013 81.533 121.546 1.00737.35 C ATOM 34633 N2 G 01668 183.221 82.150 120.375 1.00737.35 N ATOM 34634 N3 G 01668 183.536 82.032 122.656 1.00737.35 N ATOM 34635 C4 G 01668 183.222 81.286 123.739 1.00737.35 C ATOM 34636 P A 01669 181.540 86.002 127.329 1.00737.35 P ATOM 34637 O1P A 01669 181.575 87.351 127.949 1.00737.35 O ATOM 34638 O2P A 01669 180.558 84.999 127.813 1.00737.35 O ATOM 34639 O5* A 01669 181.333 86.175 125.757 1.00737.35 O ATOM 34640 C5* A 01669 182.036 87.180 125.028 1.00737.35 C ATOM 34641 C4* A 01669 181.639 87.146 123.569 1.00737.35 C ATOM 34642 O4* A 01669 182.059 85.884 122.985 1.00737.35 O ATOM 34643 C3* A 01669 180.145 87.210 123.291 1.00737.35 C ATOM 34644 O3* A 01669 179.670 88.553 123.275 1.00737.35 O ATOM 34645 C2* A 01669 180.044 86.562 121.915 1.00737.35 C ATOM 34646 O2* A 01669 180.369 87.444 120.860 1.00737.35 O ATOM 34647 C1* A 01669 181.108 85.465 122.019 1.00737.35 C ATOM 34648 N9 A 01669 180.562 84.170 122.431 1.00737.35 N ATOM 34649 C8 A 01669 180.567 83.606 123.686 1.00737.35 C ATOM 34650 N7 A 01669 179.997 82.427 123.737 1.00737.35 N ATOM 34651 C5 A 01669 179.588 82.197 122.432 1.00737.35 C ATOM 34652 C6 A 01669 178.919 81.117 121.826 1.00737.35 C ATOM 34653 N6 A 01669 178.531 80.024 122.483 1.00737.35 N ATOM 34654 N1 A 01669 178.661 81.202 120.503 1.00737.35 N ATOM 34655 C2 A 01669 179.054 82.298 119.844 1.00737.35 C ATOM 34656 N3 A 01669 179.688 83.376 120.297 1.00737.35 N ATOM 34657 C4 A 01669 179.930 83.260 121.616 1.00737.35 C ATOM 34658 P G 01670 178.446 88.978 124.227 1.00737.35 P ATOM 34659 O1P G 01670 177.658 90.027 123.531 1.00737.35 O ATOM 34660 O2P G 01670 179.015 89.259 125.571 1.00737.35 O ATOM 34661 O5* G 01670 177.561 87.653 124.340 1.00737.35 O ATOM 34662 C5* G 01670 176.460 87.418 123.465 1.00737.35 C ATOM 34663 C4* G 01670 176.639 86.103 122.744 1.00737.35 C ATOM 34664 O4* G 01670 176.998 85.069 123.696 1.00737.35 O ATOM 34665 C3* G 01670 175.401 85.562 122.047 1.00737.35 C ATOM 34666 O3* G 01670 175.255 86.126 120.746 1.00737.35 O ATOM 34667 C2* G 01670 175.695 84.067 121.968 1.00737.35 C ATOM 34668 O2* G 01670 176.515 83.720 120.872 1.00737.35 O ATOM 34669 C1* G 01670 176.456 83.829 123.276 1.00737.35 C ATOM 34670 N9 G 01670 175.641 83.286 124.359 1.00737.35 N ATOM 34671 C8 G 01670 174.779 83.972 125.182 1.00737.35 C ATOM 34672 N7 G 01670 174.197 83.210 126.066 1.00737.35 N ATOM 34673 C5 G 01670 174.702 81.941 125.812 1.00737.35 C ATOM 34674 C6 G 01670 174.440 80.701 126.452 1.00737.35 C ATOM 34675 O6 G 01670 173.686 80.469 127.403 1.00737.35 O ATOM 34676 N1 G 01670 175.164 79.664 125.875 1.00737.35 N ATOM 34677 C2 G 01670 176.032 79.799 124.819 1.00737.35 C ATOM 34678 N2 G 01670 176.639 78.676 124.404 1.00737.35 N ATOM 34679 N3 G 01670 176.288 80.947 124.216 1.00737.35 N ATOM 34680 C4 G 01670 175.592 81.969 124.760 1.00737.35 C ATOM 34681 P A 01671 173.911 86.924 120.365 1.00737.35 P ATOM 34682 O1P A 01671 174.106 88.351 120.729 1.00737.35 O ATOM 34683 O2P A 01671 172.759 86.173 120.926 1.00737.35 O ATOM 34684 O5* A 01671 173.828 86.823 118.775 1.00737.35 O ATOM 34685 C5* A 01671 175.005 86.732 117.976 1.00737.35 C ATOM 34686 C4* A 01671 174.711 87.153 116.554 1.00737.35 C ATOM 34687 O4* A 01671 175.930 87.069 115.773 1.00737.35 O ATOM 34688 C3* A 01671 173.719 86.277 115.802 1.00737.35 C ATOM 34689 O3* A 01671 172.378 86.678 116.073 1.00737.35 O ATOM 34690 C2* A 01671 174.106 86.524 114.350 1.00737.35 C ATOM 34691 O2* A 01671 173.583 87.729 113.832 1.00737.35 O ATOM 34692 C1* A 01671 175.629 86.627 114.458 1.00737.35 C ATOM 34693 N9 A 01671 176.313 85.351 114.228 1.00737.35 N ATOM 34694 C8 A 01671 176.709 84.423 115.161 1.00737.35 C ATOM 34695 N7 A 01671 177.303 83.374 114.645 1.00737.35 N ATOM 34696 C5 A 01671 177.300 83.628 113.281 1.00737.35 C ATOM 34697 C6 A 01671 177.785 82.896 112.182 1.00737.35 C ATOM 34698 N6 A 01671 178.391 81.711 112.291 1.00737.35 N ATOM 34699 N1 A 01671 177.624 83.429 110.953 1.00737.35 N ATOM 34700 C2 A 01671 177.014 84.615 110.844 1.00737.35 C ATOM 34701 N3 A 01671 176.518 85.398 111.799 1.00737.35 N ATOM 34702 C4 A 01671 176.694 84.841 113.009 1.00737.35 C ATOM 34703 P A 01672 171.176 85.623 115.904 1.00737.35 P ATOM 34704 O1P A 01672 169.916 86.284 116.330 1.00737.35 O ATOM 34705 O2P A 01672 171.595 84.355 116.555 1.00737.35 O ATOM 34706 O5* A 01672 171.101 85.369 114.332 1.00737.35 O ATOM 34707 C5* A 01672 170.777 86.427 113.431 1.00737.35 C ATOM 34708 C4* A 01672 170.968 85.978 112.001 1.00737.35 C ATOM 34709 O4* A 01672 172.361 85.624 111.793 1.00737.35 O ATOM 34710 C3* A 01672 170.198 84.732 111.593 1.00737.35 C ATOM 34711 O3* A 01672 168.875 85.059 111.183 1.00737.35 O ATOM 34712 C2* A 01672 171.027 84.204 110.430 1.00737.35 C ATOM 34713 O2* A 01672 170.758 84.864 109.208 1.00737.35 O ATOM 34714 C1* A 01672 172.449 84.532 110.893 1.00737.35 C ATOM 34715 N9 A 01672 173.123 83.421 111.571 1.00737.35 N ATOM 34716 C8 A 01672 173.534 83.348 112.881 1.00737.35 C ATOM 34717 N7 A 01672 174.115 82.216 113.192 1.00737.35 N ATOM 34718 C5 A 01672 174.086 81.489 112.010 1.00737.35 C ATOM 34719 C6 A 01672 174.545 80.204 111.676 1.00737.35 C ATOM 34720 N6 A 01672 175.152 79.388 112.541 1.00737.35 N ATOM 34721 N1 A 01672 174.356 79.777 110.410 1.00737.35 N ATOM 34722 C2 A 01672 173.747 80.594 109.543 1.00737.35 C ATOM 34723 N3 A 01672 173.273 81.824 109.734 1.00737.35 N ATOM 34724 C4 A 01672 173.475 82.218 111.004 1.00737.35 C ATOM 34725 P C 01673 167.642 84.133 111.642 1.00737.35 P ATOM 34726 O1P C 01673 166.450 84.518 110.842 1.00737.35 O ATOM 34727 O2P C 01673 167.575 84.185 113.127 1.00737.35 O ATOM 34728 O5* C 01673 168.078 82.661 111.218 1.00737.35 O ATOM 34729 C5* C 01673 168.283 82.318 109.849 1.00737.35 C ATOM 34730 C4* C 01673 169.020 81.002 109.744 1.00737.35 C ATOM 34731 O4* C 01673 170.329 81.136 110.355 1.00737.35 O ATOM 34732 C3* C 01673 168.380 79.832 110.476 1.00737.35 C ATOM 34733 O3* C 01673 167.384 79.207 109.671 1.00737.35 O ATOM 34734 C2* C 01673 169.571 78.916 110.729 1.00737.35 C ATOM 34735 O2* C 01673 169.927 78.141 109.601 1.00737.35 O ATOM 34736 C1* C 01673 170.674 79.935 111.028 1.00737.35 C ATOM 34737 N1 C 01673 170.832 80.228 112.467 1.00737.35 N ATOM 34738 C2 C 01673 171.608 79.359 113.258 1.00737.35 C ATOM 34739 O2 C 01673 172.137 78.368 112.732 1.00737.35 O ATOM 34740 N3 C 01673 171.754 79.625 114.577 1.00737.35 N ATOM 34741 C4 C 01673 171.169 80.697 115.113 1.00737.35 C ATOM 34742 N4 C 01673 171.341 80.919 116.418 1.00737.35 N ATOM 34743 C5 C 01673 170.376 81.592 114.337 1.00737.35 C ATOM 34744 C6 C 01673 170.235 81.322 113.034 1.00737.35 C ATOM 34745 P C 01674 166.196 78.381 110.370 1.00737.35 P ATOM 34746 O1P C 01674 165.263 77.923 109.309 1.00737.35 O ATOM 34747 O2P C 01674 165.677 79.202 111.497 1.00737.35 O ATOM 34748 O5* C 01674 166.927 77.106 110.988 1.00737.35 O ATOM 34749 C5* C 01674 167.345 76.027 110.156 1.00737.35 C ATOM 34750 C4* C 01674 167.787 74.851 110.999 1.00737.35 C ATOM 34751 O4* C 01674 169.011 75.184 111.705 1.00737.35 O ATOM 34752 C3* C 01674 166.825 74.427 112.097 1.00737.35 C ATOM 34753 O3* C 01674 165.802 73.580 111.587 1.00737.35 O ATOM 34754 C2* C 01674 167.746 73.695 113.069 1.00737.35 C ATOM 34755 O2* C 01674 168.017 72.362 112.681 1.00737.35 O ATOM 34756 C1* C 01674 169.023 74.535 112.968 1.00737.35 C ATOM 34757 N1 C 01674 169.150 75.556 114.029 1.00737.35 N ATOM 34758 C2 C 01674 169.657 75.173 115.284 1.00737.35 C ATOM 34759 O2 C 01674 169.981 73.988 115.471 1.00737.35 O ATOM 34760 N3 C 01674 169.778 76.106 116.258 1.00737.35 N ATOM 34761 C4 C 01674 169.421 77.368 116.022 1.00737.35 C ATOM 34762 N4 C 01674 169.562 78.253 117.013 1.00737.35 N ATOM 34763 C5 C 01674 168.900 77.784 114.762 1.00737.35 C ATOM 34764 C6 C 01674 168.784 76.856 113.804 1.00737.35 C ATOM 34765 P C 01675 164.364 73.544 112.308 1.00737.35 P ATOM 34766 O1P C 01675 163.476 72.654 111.518 1.00737.35 O ATOM 34767 O2P C 01675 163.954 74.950 112.566 1.00737.35 O ATOM 34768 O5* C 01675 164.660 72.852 113.711 1.00737.35 O ATOM 34769 C5* C 01675 164.938 71.456 113.794 1.00737.35 C ATOM 34770 C4* C 01675 165.167 71.045 115.231 1.00737.35 C ATOM 34771 O4* C 01675 166.387 71.656 115.725 1.00737.35 O ATOM 34772 C3* C 01675 164.108 71.482 116.227 1.00737.35 C ATOM 34773 O3* C 01675 162.988 70.604 116.221 1.00737.35 O ATOM 34774 C2* C 01675 164.870 71.430 117.546 1.00737.35 C ATOM 34775 O2* C 01675 164.970 70.126 118.081 1.00737.35 O ATOM 34776 C1* C 01675 166.256 71.921 117.114 1.00737.35 C ATOM 34777 N1 C 01675 166.462 73.365 117.349 1.00737.35 N ATOM 34778 C2 C 01675 166.951 73.785 118.598 1.00737.35 C ATOM 34779 O2 C 01675 167.205 72.935 119.467 1.00737.35 O ATOM 34780 N3 C 01675 167.130 75.107 118.826 1.00737.35 N ATOM 34781 C4 C 01675 166.847 75.993 117.870 1.00737.35 C ATOM 34782 N4 C 01675 167.035 77.287 118.145 1.00737.35 N ATOM 34783 C5 C 01675 166.355 75.597 116.593 1.00737.35 C ATOM 34784 C6 C 01675 166.179 74.288 116.377 1.00737.35 C ATOM 34785 P U 01676 161.532 71.167 116.601 1.00737.35 P ATOM 34786 O1P U 01676 160.551 70.063 116.441 1.00737.35 O ATOM 34787 O2P U 01676 161.329 72.438 115.859 1.00737.35 O ATOM 34788 O5* U 01676 161.653 71.517 118.151 1.00737.35 O ATOM 34789 C5* U 01676 161.720 70.483 119.130 1.00737.35 C ATOM 34790 C4* U 01676 161.774 71.069 120.521 1.00737.35 C ATOM 34791 O4* U 01676 163.021 71.784 120.708 1.00737.35 O ATOM 34792 C3* U 01676 160.710 72.102 120.856 1.00737.35 C ATOM 34793 O3* U 01676 159.480 71.482 121.220 1.00737.35 O ATOM 34794 C2* U 01676 161.346 72.845 122.025 1.00737.35 C ATOM 34795 O2* U 01676 161.203 72.169 123.261 1.00737.35 O ATOM 34796 C1* U 01676 162.822 72.860 121.611 1.00737.35 C ATOM 34797 N1 U 01676 163.236 74.116 120.963 1.00737.35 N ATOM 34798 C2 U 01676 163.719 75.132 121.777 1.00737.35 C ATOM 34799 O2 U 01676 163.821 75.025 122.990 1.00737.35 O ATOM 34800 N3 U 01676 164.080 76.280 121.118 1.00737.35 N ATOM 34801 C4 U 01676 164.012 76.521 119.762 1.00737.35 C ATOM 34802 O4 U 01676 164.370 77.613 119.322 1.00737.35 O ATOM 34803 C5 U 01676 163.507 75.427 118.989 1.00737.35 C ATOM 34804 C6 U 01676 163.146 74.291 119.599 1.00737.35 C ATOM 34805 P C 01677 158.103 72.298 121.080 1.00737.35 P ATOM 34806 O1P C 01677 156.995 71.339 121.323 1.00737.35 O ATOM 34807 O2P C 01677 158.136 73.074 119.814 1.00737.35 O ATOM 34808 O5* C 01677 158.144 73.329 122.295 1.00737.35 O ATOM 34809 C5* C 01677 158.142 72.864 123.644 1.00737.35 C ATOM 34810 C4* C 01677 158.440 73.998 124.597 1.00737.35 C ATOM 34811 O4* C 01677 159.772 74.513 124.345 1.00737.35 O ATOM 34812 C3* C 01677 157.550 75.226 124.484 1.00737.35 C ATOM 34813 O3* C 01677 156.327 75.034 125.190 1.00737.35 O ATOM 34814 C2* C 01677 158.413 76.307 125.124 1.00737.35 C ATOM 34815 O2* C 01677 158.357 76.298 126.536 1.00737.35 O ATOM 34816 C1* C 01677 159.815 75.895 124.665 1.00737.35 C ATOM 34817 N1 C 01677 160.303 76.652 123.494 1.00737.35 N ATOM 34818 C2 C 01677 160.950 77.881 123.706 1.00737.35 C ATOM 34819 O2 C 01677 161.099 78.294 124.870 1.00737.35 O ATOM 34820 N3 C 01677 161.398 78.587 122.644 1.00737.35 N ATOM 34821 C4 C 01677 161.224 78.113 121.408 1.00737.35 C ATOM 34822 N4 C 01677 161.680 78.847 120.390 1.00737.35 N ATOM 34823 C5 C 01677 160.573 76.869 121.160 1.00737.35 C ATOM 34824 C6 C 01677 160.132 76.178 122.220 1.00737.35 C ATOM 34825 P G 01678 155.058 75.968 124.862 1.00737.35 P ATOM 34826 O1P G 01678 153.891 75.389 125.572 1.00737.35 O ATOM 34827 O2P G 01678 154.990 76.183 123.393 1.00737.35 O ATOM 34828 O5* G 01678 155.418 77.359 125.554 1.00737.35 O ATOM 34829 C5* G 01678 155.639 77.440 126.961 1.00737.35 C ATOM 34830 C4* G 01678 156.220 78.787 127.325 1.00737.35 C ATOM 34831 O4* G 01678 157.500 78.958 126.664 1.00737.35 O ATOM 34832 C3* G 01678 155.408 79.997 126.892 1.00737.35 C ATOM 34833 O3* G 01678 154.385 80.280 127.842 1.00737.35 O ATOM 34834 C2* G 01678 156.463 81.094 126.840 1.00737.35 C ATOM 34835 O2* G 01678 156.757 81.647 128.109 1.00737.35 O ATOM 34836 C1* G 01678 157.680 80.324 126.320 1.00737.35 C ATOM 34837 N9 G 01678 157.866 80.420 124.873 1.00737.35 N ATOM 34838 C8 G 01678 157.468 79.514 123.919 1.00737.35 C ATOM 34839 N7 G 01678 157.781 79.878 122.705 1.00737.35 N ATOM 34840 C5 G 01678 158.423 81.100 122.864 1.00737.35 C ATOM 34841 C6 G 01678 158.987 81.975 121.899 1.00737.35 C ATOM 34842 O6 G 01678 159.036 81.841 120.670 1.00737.35 O ATOM 34843 N1 G 01678 159.534 83.106 122.494 1.00737.35 N ATOM 34844 C2 G 01678 159.541 83.364 123.843 1.00737.35 C ATOM 34845 N2 G 01678 160.117 84.515 124.224 1.00737.35 N ATOM 34846 N3 G 01678 159.022 82.556 124.752 1.00737.35 N ATOM 34847 C4 G 01678 158.480 81.449 124.197 1.00737.35 C ATOM 34848 P U 01679 153.087 81.118 127.396 1.00737.35 P ATOM 34849 O1P U 01679 152.136 81.101 128.536 1.00737.35 O ATOM 34850 O2P U 01679 152.643 80.632 126.063 1.00737.35 O ATOM 34851 O5* U 01679 153.636 82.604 127.226 1.00737.35 O ATOM 34852 C5* U 01679 154.115 83.343 128.349 1.00737.35 C ATOM 34853 C4* U 01679 154.737 84.643 127.894 1.00737.35 C ATOM 34854 O4* U 01679 155.907 84.359 127.082 1.00737.35 O ATOM 34855 C3* U 01679 153.865 85.507 126.997 1.00737.35 C ATOM 34856 O3* U 01679 152.962 86.310 127.750 1.00737.35 O ATOM 34857 C2* U 01679 154.900 86.345 126.257 1.00737.35 C ATOM 34858 O2* U 01679 155.380 87.437 127.016 1.00737.35 O ATOM 34859 C1* U 01679 156.020 85.322 126.046 1.00737.35 C ATOM 34860 N1 U 01679 155.947 84.635 124.745 1.00737.35 N ATOM 34861 C2 U 01679 156.590 85.220 123.663 1.00737.35 C ATOM 34862 O2 U 01679 157.214 86.268 123.743 1.00737.35 O ATOM 34863 N3 U 01679 156.476 84.532 122.480 1.00737.35 N ATOM 34864 C4 U 01679 155.804 83.343 122.267 1.00737.35 C ATOM 34865 O4 U 01679 155.795 82.848 121.140 1.00737.35 O ATOM 34866 C5 U 01679 155.169 82.802 123.429 1.00737.35 C ATOM 34867 C6 U 01679 155.260 83.446 124.596 1.00737.35 C ATOM 34868 P U 01680 151.385 86.266 127.422 1.00737.35 P ATOM 34869 O1P U 01680 150.719 87.194 128.370 1.00737.35 O ATOM 34870 O2P U 01680 150.956 84.846 127.365 1.00737.35 O ATOM 34871 O5* U 01680 151.256 86.891 125.959 1.00737.35 O ATOM 34872 C5* U 01680 151.908 86.289 124.841 1.00737.35 C ATOM 34873 C4* U 01680 152.158 87.319 123.766 1.00737.35 C ATOM 34874 O4* U 01680 153.123 86.799 122.817 1.00737.35 O ATOM 34875 C3* U 01680 150.956 87.699 122.919 1.00737.35 C ATOM 34876 O3* U 01680 150.176 88.707 123.558 1.00737.35 O ATOM 34877 C2* U 01680 151.608 88.212 121.639 1.00737.35 C ATOM 34878 O2* U 01680 152.036 89.556 121.731 1.00737.35 O ATOM 34879 C1* U 01680 152.825 87.288 121.519 1.00737.35 C ATOM 34880 N1 U 01680 152.631 86.142 120.615 1.00737.35 N ATOM 34881 C2 U 01680 152.903 86.334 119.269 1.00737.35 C ATOM 34882 O2 U 01680 153.284 87.399 118.811 1.00737.35 O ATOM 34883 N3 U 01680 152.712 85.227 118.479 1.00737.35 N ATOM 34884 C4 U 01680 152.289 83.978 118.880 1.00737.35 C ATOM 34885 O4 U 01680 152.183 83.076 118.043 1.00737.35 O ATOM 34886 C5 U 01680 152.025 83.860 120.280 1.00737.35 C ATOM 34887 C6 U 01680 152.198 84.917 121.080 1.00737.35 C ATOM 34888 P A 01681 148.606 88.830 123.232 1.00737.35 P ATOM 34889 O1P A 01681 147.893 88.867 124.536 1.00737.35 O ATOM 34890 O2P A 01681 148.231 87.804 122.224 1.00737.35 O ATOM 34891 O5* A 01681 148.470 90.262 122.542 1.00737.35 O ATOM 34892 C5* A 01681 148.367 91.449 123.327 1.00737.35 C ATOM 34893 C4* A 01681 148.083 92.641 122.440 1.00737.35 C ATOM 34894 O4* A 01681 149.234 92.905 121.595 1.00737.35 O ATOM 34895 C3* A 01681 146.931 92.474 121.461 1.00737.35 C ATOM 34896 O3* A 01681 145.680 92.747 122.081 1.00737.35 O ATOM 34897 C2* A 01681 147.273 93.496 120.385 1.00737.35 C ATOM 34898 O2* A 01681 146.907 94.816 120.734 1.00737.35 O ATOM 34899 C1* A 01681 148.799 93.379 120.329 1.00737.35 C ATOM 34900 N9 A 01681 149.287 92.460 119.295 1.00737.35 N ATOM 34901 C8 A 01681 150.113 91.372 119.450 1.00737.35 C ATOM 34902 N7 A 01681 150.382 90.747 118.328 1.00737.35 N ATOM 34903 C5 A 01681 149.683 91.469 117.370 1.00737.35 C ATOM 34904 C6 A 01681 149.556 91.317 115.978 1.00737.35 C ATOM 34905 N6 A 01681 150.155 90.348 115.280 1.00737.35 N ATOM 34906 N1 A 01681 148.784 92.206 115.317 1.00737.35 N ATOM 34907 C2 A 01681 148.182 93.176 116.014 1.00737.35 C ATOM 34908 N3 A 01681 148.227 93.424 117.321 1.00737.35 N ATOM 34909 C4 A 01681 149.004 92.523 117.950 1.00737.35 C ATOM 34910 P A 01682 144.380 91.905 121.651 1.00737.35 P ATOM 34911 O1P A 01682 143.255 92.363 122.508 1.00737.35 O ATOM 34912 O2P A 01682 144.740 90.464 121.630 1.00737.35 O ATOM 34913 O5* A 01682 144.096 92.368 120.153 1.00737.35 O ATOM 34914 C5* A 01682 143.419 93.595 119.879 1.00737.35 C ATOM 34915 C4* A 01682 142.929 93.621 118.449 1.00737.35 C ATOM 34916 O4* A 01682 144.061 93.686 117.544 1.00737.35 O ATOM 34917 C3* A 01682 142.156 92.395 117.988 1.00737.35 C ATOM 34918 O3* A 01682 140.791 92.465 118.387 1.00737.35 O ATOM 34919 C2* A 01682 142.318 92.464 116.474 1.00737.35 C ATOM 34920 O2* A 01682 141.419 93.366 115.857 1.00737.35 O ATOM 34921 C1* A 01682 143.752 92.989 116.345 1.00737.35 C ATOM 34922 N9 A 01682 144.746 91.930 116.151 1.00737.35 N ATOM 34923 C8 A 01682 145.372 91.170 117.109 1.00737.35 C ATOM 34924 N7 A 01682 146.215 90.294 116.620 1.00737.35 N ATOM 34925 C5 A 01682 146.139 90.489 115.247 1.00737.35 C ATOM 34926 C6 A 01682 146.791 89.869 114.166 1.00737.35 C ATOM 34927 N6 A 01682 147.685 88.887 114.304 1.00737.35 N ATOM 34928 N1 A 01682 146.489 90.299 112.919 1.00737.35 N ATOM 34929 C2 A 01682 145.593 91.283 112.782 1.00737.35 C ATOM 34930 N3 A 01682 144.915 91.944 113.717 1.00737.35 N ATOM 34931 C4 A 01682 145.236 91.494 114.943 1.00737.35 C ATOM 34932 P G 01683 139.969 91.111 118.662 1.00737.35 P ATOM 34933 O1P G 01683 138.655 91.500 119.236 1.00737.35 O ATOM 34934 O2P G 01683 140.842 90.167 119.407 1.00737.35 O ATOM 34935 O5* G 01683 139.721 90.513 117.206 1.00737.35 O ATOM 34936 C5* G 01683 138.840 91.160 116.291 1.00737.35 C ATOM 34937 C4* G 01683 138.937 90.527 114.921 1.00737.35 C ATOM 34938 O4* G 01683 140.272 90.727 114.386 1.00737.35 O ATOM 34939 C3* G 01683 138.739 89.020 114.859 1.00737.35 C ATOM 34940 O3* G 01683 137.354 88.684 114.824 1.00737.35 O ATOM 34941 C2* G 01683 139.434 88.664 113.549 1.00737.35 C ATOM 34942 O2* G 01683 138.628 88.898 112.411 1.00737.35 O ATOM 34943 C1* G 01683 140.619 89.633 113.552 1.00737.35 C ATOM 34944 N9 G 01683 141.860 89.037 114.042 1.00737.35 N ATOM 34945 C8 G 01683 142.420 89.179 115.291 1.00737.35 C ATOM 34946 N7 G 01683 143.540 88.520 115.428 1.00737.35 N ATOM 34947 C5 G 01683 143.733 87.905 114.199 1.00737.35 C ATOM 34948 C6 G 01683 144.778 87.055 113.747 1.00737.35 C ATOM 34949 O6 G 01683 145.776 86.668 114.365 1.00737.35 O ATOM 34950 N1 G 01683 144.575 86.655 112.432 1.00737.35 N ATOM 34951 C2 G 01683 143.510 87.020 111.646 1.00737.35 C ATOM 34952 N2 G 01683 143.497 86.524 110.399 1.00737.35 N ATOM 34953 N3 G 01683 142.531 87.811 112.052 1.00737.35 N ATOM 34954 C4 G 01683 142.705 88.213 113.332 1.00737.35 C ATOM 34955 P G 01684 136.801 87.455 115.709 1.00737.35 P ATOM 34956 O1P G 01684 135.362 87.286 115.389 1.00737.35 O ATOM 34957 O2P G 01684 137.217 87.670 117.119 1.00737.35 O ATOM 34958 O5* G 01684 137.577 86.180 115.151 1.00737.35 O ATOM 34959 C5* G 01684 137.761 85.986 113.749 1.00737.35 C ATOM 34960 C4* G 01684 138.992 85.149 113.497 1.00737.35 C ATOM 34961 O4* G 01684 140.110 85.735 114.214 1.00737.35 O ATOM 34962 C3* G 01684 138.929 83.715 113.997 1.00737.35 C ATOM 34963 O3* G 01684 138.351 82.892 112.989 1.00737.35 O ATOM 34964 C2* G 01684 140.403 83.374 114.196 1.00737.35 C ATOM 34965 O2* G 01684 141.056 83.012 112.996 1.00737.35 O ATOM 34966 C1* G 01684 140.962 84.709 114.696 1.00737.35 C ATOM 34967 N9 G 01684 141.036 84.815 116.151 1.00737.35 N ATOM 34968 C8 G 01684 140.009 85.094 117.022 1.00737.35 C ATOM 34969 N7 G 01684 140.390 85.122 118.269 1.00737.35 N ATOM 34970 C5 G 01684 141.750 84.845 118.222 1.00737.35 C ATOM 34971 C6 G 01684 142.706 84.746 119.266 1.00737.35 C ATOM 34972 O6 G 01684 142.534 84.884 120.483 1.00737.35 O ATOM 34973 N1 G 01684 143.971 84.450 118.771 1.00737.35 N ATOM 34974 C2 G 01684 144.282 84.274 117.446 1.00737.35 C ATOM 34975 N2 G 01684 145.562 83.994 117.168 1.00737.35 N ATOM 34976 N3 G 01684 143.402 84.365 116.464 1.00737.35 N ATOM 34977 C4 G 01684 142.163 84.653 116.920 1.00737.35 C ATOM 34978 P A 01685 137.394 81.663 113.395 1.00737.35 P ATOM 34979 O1P A 01685 136.102 82.238 113.854 1.00737.35 O ATOM 34980 O2P A 01685 138.148 80.750 114.290 1.00737.35 O ATOM 34981 O5* A 01685 137.146 80.924 112.006 1.00737.35 O ATOM 34982 C5* A 01685 136.911 81.678 110.819 1.00737.35 C ATOM 34983 C4* A 01685 138.155 81.708 109.958 1.00737.35 C ATOM 34984 O4* A 01685 139.312 81.904 110.818 1.00737.35 O ATOM 34985 C3* A 01685 138.481 80.439 109.185 1.00737.35 C ATOM 34986 O3* A 01685 137.761 80.426 107.948 1.00737.35 O ATOM 34987 C2* A 01685 139.987 80.564 108.972 1.00737.35 C ATOM 34988 O2* A 01685 140.327 81.405 107.893 1.00737.35 O ATOM 34989 C1* A 01685 140.432 81.225 110.277 1.00737.35 C ATOM 34990 N9 A 01685 140.956 80.286 111.271 1.00737.35 N ATOM 34991 C8 A 01685 140.490 80.029 112.538 1.00737.35 C ATOM 34992 N7 A 01685 141.193 79.133 113.189 1.00737.35 N ATOM 34993 C5 A 01685 142.187 78.771 112.289 1.00737.35 C ATOM 34994 C6 A 01685 143.255 77.861 112.373 1.00737.35 C ATOM 34995 N6 A 01685 143.518 77.125 113.454 1.00737.35 N ATOM 34996 N1 A 01685 144.056 77.731 111.294 1.00737.35 N ATOM 34997 C2 A 01685 143.797 78.474 110.212 1.00737.35 C ATOM 34998 N3 A 01685 142.830 79.366 110.013 1.00737.35 N ATOM 34999 C4 A 01685 142.049 79.468 111.103 1.00737.35 C ATOM 35000 P A 01686 138.174 79.391 106.783 1.00737.35 P ATOM 35001 O1P A 01686 137.017 79.302 105.855 1.00737.35 O ATOM 35002 O2P A 01686 138.707 78.153 107.406 1.00737.35 O ATOM 35003 O5* A 01686 139.374 80.123 106.028 1.00737.35 O ATOM 35004 C5* A 01686 139.130 81.017 104.940 1.00737.35 C ATOM 35005 C4* A 01686 140.319 81.932 104.715 1.00737.35 C ATOM 35006 O4* A 01686 140.404 82.936 105.757 1.00737.35 O ATOM 35007 C3* A 01686 141.697 81.289 104.714 1.00737.35 C ATOM 35008 O3* A 01686 141.984 80.696 103.452 1.00737.35 O ATOM 35009 C2* A 01686 142.613 82.482 104.975 1.00737.35 C ATOM 35010 O2* A 01686 142.928 83.208 103.805 1.00737.35 O ATOM 35011 C1* A 01686 141.752 83.352 105.899 1.00737.35 C ATOM 35012 N9 A 01686 142.109 83.350 107.323 1.00737.35 N ATOM 35013 C8 A 01686 141.483 84.073 108.311 1.00737.35 C ATOM 35014 N7 A 01686 142.005 83.909 109.500 1.00737.35 N ATOM 35015 C5 A 01686 143.046 83.016 109.288 1.00737.35 C ATOM 35016 C6 A 01686 143.988 82.439 110.161 1.00737.35 C ATOM 35017 N6 A 01686 144.034 82.691 111.471 1.00737.35 N ATOM 35018 N1 A 01686 144.892 81.585 109.635 1.00737.35 N ATOM 35019 C2 A 01686 144.844 81.335 108.319 1.00737.35 C ATOM 35020 N3 A 01686 144.010 81.815 107.400 1.00737.35 N ATOM 35021 C4 A 01686 143.124 82.660 107.954 1.00737.35 C ATOM 35022 P C 01687 142.774 79.297 103.386 1.00737.35 P ATOM 35023 O1P C 01687 143.036 79.000 101.954 1.00737.35 O ATOM 35024 O2P C 01687 142.035 78.311 104.214 1.00737.35 O ATOM 35025 O5* C 01687 144.171 79.595 104.094 1.00737.35 O ATOM 35026 C5* C 01687 145.008 80.665 103.659 1.00737.35 C ATOM 35027 C4* C 01687 146.456 80.349 103.948 1.00737.35 C ATOM 35028 O4* C 01687 146.613 80.111 105.373 1.00737.35 O ATOM 35029 C3* C 01687 146.986 79.083 103.292 1.00737.35 C ATOM 35030 O3* C 01687 147.455 79.360 101.975 1.00737.35 O ATOM 35031 C2* C 01687 148.129 78.686 104.221 1.00737.35 C ATOM 35032 O2* C 01687 149.321 79.406 103.976 1.00737.35 O ATOM 35033 C1* C 01687 147.561 79.078 105.588 1.00737.35 C ATOM 35034 N1 C 01687 146.901 77.966 106.303 1.00737.35 N ATOM 35035 C2 C 01687 147.696 77.044 107.007 1.00737.35 C ATOM 35036 O2 C 01687 148.931 77.183 107.006 1.00737.35 O ATOM 35037 N3 C 01687 147.099 76.027 107.669 1.00737.35 N ATOM 35038 C4 C 01687 145.769 75.907 107.649 1.00737.35 C ATOM 35039 N4 C 01687 145.223 74.887 108.318 1.00737.35 N ATOM 35040 C5 C 01687 144.939 76.825 106.941 1.00737.35 C ATOM 35041 C6 C 01687 145.540 77.827 106.290 1.00737.35 C ATOM 35042 P U 01688 147.000 78.425 100.749 1.00737.35 P ATOM 35043 O1P U 01688 147.869 78.761 99.591 1.00737.35 O ATOM 35044 O2P U 01688 145.525 78.527 100.609 1.00737.35 O ATOM 35045 O5* U 01688 147.356 76.948 101.227 1.00737.35 O ATOM 35046 C5* U 01688 148.701 76.568 101.508 1.00737.35 C ATOM 35047 C4* U 01688 148.725 75.285 102.308 1.00737.35 C ATOM 35048 O4* U 01688 148.061 75.505 103.580 1.00737.35 O ATOM 35049 C3* U 01688 147.976 74.116 101.687 1.00737.35 C ATOM 35050 O3* U 01688 148.796 73.410 100.762 1.00737.35 O ATOM 35051 C2* U 01688 147.632 73.270 102.908 1.00737.35 C ATOM 35052 O2* U 01688 148.711 72.470 103.350 1.00737.35 O ATOM 35053 C1* U 01688 147.323 74.350 103.946 1.00737.35 C ATOM 35054 N1 U 01688 145.895 74.706 104.013 1.00737.35 N ATOM 35055 C2 U 01688 145.089 73.999 104.893 1.00737.35 C ATOM 35056 O2 U 01688 145.509 73.110 105.617 1.00737.35 O ATOM 35057 N3 U 01688 143.767 74.374 104.898 1.00737.35 N ATOM 35058 C4 U 01688 143.181 75.361 104.133 1.00737.35 C ATOM 35059 O4 U 01688 141.972 75.575 104.245 1.00737.35 O ATOM 35060 C5 U 01688 144.075 76.047 103.252 1.00737.35 C ATOM 35061 C6 U 01688 145.366 75.705 103.222 1.00737.35 C ATOM 35062 P U 01689 148.182 72.936 99.353 1.00737.35 P ATOM 35063 O1P U 01689 149.234 72.150 98.657 1.00737.35 O ATOM 35064 O2P U 01689 147.586 74.119 98.682 1.00737.35 O ATOM 35065 O5* U 01689 147.008 71.936 99.756 1.00737.35 O ATOM 35066 C5* U 01689 146.002 71.570 98.813 1.00737.35 C ATOM 35067 C4* U 01689 145.244 70.353 99.297 1.00737.35 C ATOM 35068 O4* U 01689 146.149 69.219 99.362 1.00737.35 O ATOM 35069 C3* U 01689 144.655 70.450 100.694 1.00737.35 C ATOM 35070 O3* U 01689 143.387 71.095 100.666 1.00737.35 O ATOM 35071 C2* U 01689 144.536 68.985 101.098 1.00737.35 C ATOM 35072 O2* U 01689 143.384 68.353 100.573 1.00737.35 O ATOM 35073 C1* U 01689 145.790 68.388 100.455 1.00737.35 C ATOM 35074 N1 U 01689 146.941 68.290 101.371 1.00737.35 N ATOM 35075 C2 U 01689 147.047 67.149 102.156 1.00737.35 C ATOM 35076 O2 U 01689 146.236 66.236 102.124 1.00737.35 O ATOM 35077 N3 U 01689 148.143 67.120 102.986 1.00737.35 N ATOM 35078 C4 U 01689 149.119 68.085 103.112 1.00737.35 C ATOM 35079 O4 U 01689 150.043 67.911 103.908 1.00737.35 O ATOM 35080 C5 U 01689 148.941 69.228 102.271 1.00737.35 C ATOM 35081 C6 U 01689 147.886 69.289 101.452 1.00737.35 C ATOM 35082 P U 01690 142.999 72.152 101.816 1.00737.35 P ATOM 35083 O1P U 01690 141.669 72.716 101.469 1.00737.35 O ATOM 35084 O2P U 01690 144.152 73.068 102.013 1.00737.35 O ATOM 35085 O5* U 01690 142.843 71.261 103.129 1.00737.35 O ATOM 35086 C5* U 01690 141.701 70.426 103.318 1.00737.35 C ATOM 35087 C4* U 01690 141.803 69.685 104.632 1.00737.35 C ATOM 35088 O4* U 01690 142.950 68.800 104.594 1.00737.35 O ATOM 35089 C3* U 01690 142.030 70.554 105.863 1.00737.35 C ATOM 35090 O3* U 01690 140.790 71.034 106.375 1.00737.35 O ATOM 35091 C2* U 01690 142.691 69.575 106.830 1.00737.35 C ATOM 35092 O2* U 01690 141.765 68.747 107.504 1.00737.35 O ATOM 35093 C1* U 01690 143.544 68.730 105.881 1.00737.35 C ATOM 35094 N1 U 01690 144.947 69.168 105.780 1.00737.35 N ATOM 35095 C2 U 01690 145.844 68.692 106.727 1.00737.35 C ATOM 35096 O2 U 01690 145.524 67.935 107.629 1.00737.35 O ATOM 35097 N3 U 01690 147.135 69.135 106.576 1.00737.35 N ATOM 35098 C4 U 01690 147.614 69.987 105.601 1.00737.35 C ATOM 35099 O4 U 01690 148.808 70.292 105.599 1.00737.35 O ATOM 35100 C5 U 01690 146.632 70.434 104.664 1.00737.35 C ATOM 35101 C6 U 01690 145.366 70.022 104.782 1.00737.35 C ATOM 35102 P G 01691 140.613 72.596 106.712 1.00737.35 P ATOM 35103 O1P G 01691 139.253 72.772 107.282 1.00737.35 O ATOM 35104 O2P G 01691 141.012 73.379 105.515 1.00737.35 O ATOM 35105 O5* G 01691 141.675 72.875 107.868 1.00737.35 O ATOM 35106 C5* G 01691 141.594 72.197 109.122 1.00737.35 C ATOM 35107 C4* G 01691 142.429 72.914 110.157 1.00737.35 C ATOM 35108 O4* G 01691 141.939 74.270 110.320 1.00737.35 O ATOM 35109 C3* G 01691 142.367 72.324 111.557 1.00737.35 C ATOM 35110 O3* G 01691 143.322 71.274 111.685 1.00737.35 O ATOM 35111 C2* G 01691 142.746 73.512 112.434 1.00737.35 C ATOM 35112 O2* G 01691 144.146 73.707 112.527 1.00737.35 O ATOM 35113 C1* G 01691 142.126 74.683 111.664 1.00737.35 C ATOM 35114 N9 G 01691 140.851 75.172 112.192 1.00737.35 N ATOM 35115 C8 G 01691 139.678 75.354 111.494 1.00737.35 C ATOM 35116 N7 G 01691 138.715 75.842 112.228 1.00737.35 N ATOM 35117 C5 G 01691 139.278 75.984 113.488 1.00737.35 C ATOM 35118 C6 G 01691 138.717 76.474 114.698 1.00737.35 C ATOM 35119 O6 G 01691 137.573 76.904 114.899 1.00737.35 O ATOM 35120 N1 G 01691 139.636 76.436 115.741 1.00737.35 N ATOM 35121 C2 G 01691 140.931 75.992 115.637 1.00737.35 C ATOM 35122 N2 G 01691 141.661 76.032 116.764 1.00737.35 N ATOM 35123 N3 G 01691 141.470 75.540 114.517 1.00737.35 N ATOM 35124 C4 G 01691 140.592 75.564 113.488 1.00737.35 C ATOM 35125 P C 01692 142.864 69.835 112.231 1.00737.35 P ATOM 35126 O1P C 01692 141.972 69.234 111.208 1.00737.35 O ATOM 35127 O2P C 01692 142.376 69.996 113.627 1.00737.35 O ATOM 35128 O5* C 01692 144.227 69.008 112.271 1.00737.35 O ATOM 35129 C5* C 01692 144.239 67.592 112.099 1.00737.35 C ATOM 35130 C4* C 01692 145.611 67.134 111.662 1.00737.35 C ATOM 35131 O4* C 01692 145.930 67.749 110.384 1.00737.35 O ATOM 35132 C3* C 01692 146.758 67.546 112.573 1.00737.35 C ATOM 35133 O3* C 01692 146.926 66.614 113.635 1.00737.35 O ATOM 35134 C2* C 01692 147.948 67.536 111.621 1.00737.35 C ATOM 35135 O2* C 01692 148.475 66.242 111.400 1.00737.35 O ATOM 35136 C1* C 01692 147.313 68.062 110.333 1.00737.35 C ATOM 35137 N1 C 01692 147.464 69.520 110.148 1.00737.35 N ATOM 35138 C2 C 01692 148.621 70.010 109.515 1.00737.35 C ATOM 35139 O2 C 01692 149.484 69.206 109.126 1.00737.35 O ATOM 35140 N3 C 01692 148.766 71.344 109.343 1.00737.35 N ATOM 35141 C4 C 01692 147.818 72.181 109.773 1.00737.35 C ATOM 35142 N4 C 01692 148.005 73.488 109.583 1.00737.35 N ATOM 35143 C5 C 01692 146.637 71.714 110.418 1.00737.35 C ATOM 35144 C6 C 01692 146.501 70.390 110.584 1.00737.35 C ATOM 35145 P A 01693 147.131 67.145 115.138 1.00737.35 P ATOM 35146 O1P A 01693 147.502 65.975 115.977 1.00737.35 O ATOM 35147 O2P A 01693 145.950 67.965 115.509 1.00737.35 O ATOM 35148 O5* A 01693 148.397 68.110 115.041 1.00737.35 O ATOM 35149 C5* A 01693 149.694 67.598 114.736 1.00737.35 C ATOM 35150 C4* A 01693 150.725 68.700 114.819 1.00737.35 C ATOM 35151 O4* A 01693 150.433 69.704 113.811 1.00737.35 O ATOM 35152 C3* A 01693 150.753 69.473 116.129 1.00737.35 C ATOM 35153 O3* A 01693 151.562 68.811 117.095 1.00737.35 O ATOM 35154 C2* A 01693 151.353 70.810 115.705 1.00737.35 C ATOM 35155 O2* A 01693 152.763 70.777 115.602 1.00737.35 O ATOM 35156 C1* A 01693 150.739 70.994 114.314 1.00737.35 C ATOM 35157 N9 A 01693 149.513 71.795 114.312 1.00737.35 N ATOM 35158 C8 A 01693 148.212 71.352 114.379 1.00737.35 C ATOM 35159 N7 A 01693 147.324 72.316 114.354 1.00737.35 N ATOM 35160 C5 A 01693 148.087 73.471 114.264 1.00737.35 C ATOM 35161 C6 A 01693 147.738 74.832 114.199 1.00737.35 C ATOM 35162 N6 A 01693 146.480 75.275 114.210 1.00737.35 N ATOM 35163 N1 A 01693 148.742 75.734 114.118 1.00737.35 N ATOM 35164 C2 A 01693 150.005 75.289 114.105 1.00737.35 C ATOM 35165 N3 A 01693 150.457 74.037 114.162 1.00737.35 N ATOM 35166 C4 A 01693 149.438 73.167 114.241 1.00737.35 C ATOM 35167 P A 01694 151.050 68.682 118.613 1.00737.35 P ATOM 35168 O1P A 01694 152.160 68.091 119.405 1.00737.35 O ATOM 35169 O2P A 01694 149.722 68.014 118.603 1.00737.35 O ATOM 35170 O5* A 01694 150.846 70.188 119.087 1.00737.35 O ATOM 35171 C5* A 01694 151.951 71.086 119.179 1.00737.35 C ATOM 35172 C4* A 01694 151.460 72.513 119.277 1.00737.35 C ATOM 35173 O4* A 01694 150.720 72.846 118.073 1.00737.35 O ATOM 35174 C3* A 01694 150.488 72.800 120.413 1.00737.35 C ATOM 35175 O3* A 01694 151.187 73.085 121.625 1.00737.35 O ATOM 35176 C2* A 01694 149.731 74.013 119.890 1.00737.35 C ATOM 35177 O2* A 01694 150.437 75.226 120.057 1.00737.35 O ATOM 35178 C1* A 01694 149.622 73.681 118.400 1.00737.35 C ATOM 35179 N9 A 01694 148.385 72.976 118.051 1.00737.35 N ATOM 35180 C8 A 01694 148.175 71.620 117.975 1.00737.35 C ATOM 35181 N7 A 01694 146.953 71.292 117.635 1.00737.35 N ATOM 35182 C5 A 01694 146.313 72.513 117.475 1.00737.35 C ATOM 35183 C6 A 01694 144.995 72.850 117.117 1.00737.35 C ATOM 35184 N6 A 01694 144.048 71.948 116.844 1.00737.35 N ATOM 35185 N1 A 01694 144.679 74.162 117.049 1.00737.35 N ATOM 35186 C2 A 01694 145.630 75.062 117.322 1.00737.35 C ATOM 35187 N3 A 01694 146.899 74.871 117.669 1.00737.35 N ATOM 35188 C4 A 01694 147.181 73.559 117.728 1.00737.35 C ATOM 35189 P U 01695 150.457 72.855 123.039 1.00737.35 P ATOM 35190 O1P U 01695 151.464 73.112 124.100 1.00737.35 O ATOM 35191 O2P U 01695 149.750 71.549 123.000 1.00737.35 O ATOM 35192 O5* U 01695 149.363 74.012 123.102 1.00737.35 O ATOM 35193 C5* U 01695 149.747 75.387 123.116 1.00737.35 C ATOM 35194 C4* U 01695 148.541 76.272 122.903 1.00737.35 C ATOM 35195 O4* U 01695 147.960 75.985 121.604 1.00737.35 O ATOM 35196 C3* U 01695 147.393 76.079 123.881 1.00737.35 C ATOM 35197 O3* U 01695 147.603 76.840 125.066 1.00737.35 O ATOM 35198 C2* U 01695 146.199 76.592 123.083 1.00737.35 C ATOM 35199 O2* U 01695 146.085 78.001 123.097 1.00737.35 O ATOM 35200 C1* U 01695 146.547 76.115 121.671 1.00737.35 C ATOM 35201 N1 U 01695 145.936 74.824 121.317 1.00737.35 N ATOM 35202 C2 U 01695 144.666 74.840 120.754 1.00737.35 C ATOM 35203 O2 U 01695 144.042 75.868 120.543 1.00737.35 O ATOM 35204 N3 U 01695 144.153 73.604 120.447 1.00737.35 N ATOM 35205 C4 U 01695 144.760 72.380 120.638 1.00737.35 C ATOM 35206 O4 U 01695 144.164 71.350 120.310 1.00737.35 O ATOM 35207 C5 U 01695 146.063 72.443 121.221 1.00737.35 C ATOM 35208 C6 U 01695 146.594 73.630 121.532 1.00737.35 C ATOM 35209 P C 01696 147.004 76.323 126.466 1.00737.35 P ATOM 35210 O1P C 01696 147.393 77.313 127.505 1.00737.35 O ATOM 35211 O2P C 01696 147.377 74.897 126.640 1.00737.35 O ATOM 35212 O5* C 01696 145.424 76.406 126.266 1.00737.35 O ATOM 35213 C5* C 01696 144.772 77.659 126.072 1.00737.35 C ATOM 35214 C4* C 01696 143.322 77.445 125.703 1.00737.35 C ATOM 35215 O4* C 01696 143.252 76.726 124.446 1.00737.35 O ATOM 35216 C3* C 01696 142.514 76.595 126.673 1.00737.35 C ATOM 35217 O3* C 01696 141.996 77.392 127.734 1.00737.35 O ATOM 35218 C2* C 01696 141.401 76.053 125.783 1.00737.35 C ATOM 35219 O2* C 01696 140.344 76.972 125.590 1.00737.35 O ATOM 35220 C1* C 01696 142.145 75.838 124.462 1.00737.35 C ATOM 35221 N1 C 01696 142.638 74.458 124.267 1.00737.35 N ATOM 35222 C2 C 01696 141.741 73.468 123.829 1.00737.35 C ATOM 35223 O2 C 01696 140.555 73.776 123.624 1.00737.35 O ATOM 35224 N3 C 01696 142.189 72.205 123.644 1.00737.35 N ATOM 35225 C4 C 01696 143.470 71.910 123.878 1.00737.35 C ATOM 35226 N4 C 01696 143.867 70.651 123.678 1.00737.35 N ATOM 35227 C5 C 01696 144.402 72.891 124.323 1.00737.35 C ATOM 35228 C6 C 01696 143.950 74.137 124.506 1.00737.35 C ATOM 35229 P U 01697 141.825 76.757 129.201 1.00737.35 P ATOM 35230 O1P U 01697 141.182 77.788 130.055 1.00737.35 O ATOM 35231 O2P U 01697 143.128 76.172 129.613 1.00737.35 O ATOM 35232 O5* U 01697 140.791 75.564 128.990 1.00737.35 O ATOM 35233 C5* U 01697 139.436 75.821 128.618 1.00737.35 C ATOM 35234 C4* U 01697 138.744 74.531 128.241 1.00737.35 C ATOM 35235 O4* U 01697 139.397 73.959 127.080 1.00737.35 O ATOM 35236 C3* U 01697 138.796 73.430 129.288 1.00737.35 C ATOM 35237 O3* U 01697 137.741 73.570 130.236 1.00737.35 O ATOM 35238 C2* U 01697 138.627 72.172 128.445 1.00737.35 C ATOM 35239 O2* U 01697 137.278 71.903 128.114 1.00737.35 O ATOM 35240 C1* U 01697 139.406 72.544 127.182 1.00737.35 C ATOM 35241 N1 U 01697 140.804 72.078 127.191 1.00737.35 N ATOM 35242 C2 U 01697 141.051 70.762 126.817 1.00737.35 C ATOM 35243 O2 U 01697 140.169 69.984 126.490 1.00737.35 O ATOM 35244 N3 U 01697 142.374 70.392 126.844 1.00737.35 N ATOM 35245 C4 U 01697 143.451 71.179 127.196 1.00737.35 C ATOM 35246 O4 U 01697 144.585 70.700 127.168 1.00737.35 O ATOM 35247 C5 U 01697 143.117 72.519 127.566 1.00737.35 C ATOM 35248 C6 U 01697 141.839 72.912 127.553 1.00737.35 C ATOM 35249 P C 01698 138.052 73.420 131.807 1.00737.35 P ATOM 35250 O1P C 01698 136.750 73.256 132.502 1.00737.35 O ATOM 35251 O2P C 01698 138.961 74.524 132.208 1.00737.35 O ATOM 35252 O5* C 01698 138.854 72.047 131.922 1.00737.35 O ATOM 35253 C5* C 01698 138.258 70.809 131.537 1.00737.35 C ATOM 35254 C4* C 01698 139.319 69.744 131.379 1.00737.35 C ATOM 35255 O4* C 01698 140.233 70.139 130.322 1.00737.35 O ATOM 35256 C3* C 01698 140.215 69.528 132.589 1.00737.35 C ATOM 35257 O3* C 01698 139.623 68.624 133.515 1.00737.35 O ATOM 35258 C2* C 01698 141.473 68.943 131.961 1.00737.35 C ATOM 35259 O2* C 01698 141.365 67.562 131.682 1.00737.35 O ATOM 35260 C1* C 01698 141.554 69.733 130.652 1.00737.35 C ATOM 35261 N1 C 01698 142.413 70.932 130.738 1.00737.35 N ATOM 35262 C2 C 01698 143.791 70.799 130.502 1.00737.35 C ATOM 35263 O2 C 01698 144.253 69.680 130.223 1.00737.35 O ATOM 35264 N3 C 01698 144.583 71.893 130.582 1.00737.35 N ATOM 35265 C4 C 01698 144.055 73.081 130.883 1.00737.35 C ATOM 35266 N4 C 01698 144.875 74.131 130.952 1.00737.35 N ATOM 35267 C5 C 01698 142.660 73.245 131.130 1.00737.35 C ATOM 35268 C6 C 01698 141.884 72.157 131.049 1.00737.35 C ATOM 35269 P A 01699 139.662 68.954 135.089 1.00737.35 P ATOM 35270 O1P A 01699 138.515 69.854 135.376 1.00737.35 O ATOM 35271 O2P A 01699 141.038 69.383 135.449 1.00737.35 O ATOM 35272 O5* A 01699 139.374 67.553 135.790 1.00737.35 O ATOM 35273 C5* A 01699 140.212 66.425 135.546 1.00737.35 C ATOM 35274 C4* A 01699 140.570 65.749 136.849 1.00737.35 C ATOM 35275 O4* A 01699 141.327 66.676 137.670 1.00737.35 O ATOM 35276 C3* A 01699 139.392 65.341 137.721 1.00737.35 C ATOM 35277 O3* A 01699 138.888 64.062 137.351 1.00737.35 O ATOM 35278 C2* A 01699 140.013 65.321 139.114 1.00737.35 C ATOM 35279 O2* A 01699 140.743 64.140 139.382 1.00737.35 O ATOM 35280 C1* A 01699 140.966 66.513 139.034 1.00737.35 C ATOM 35281 N9 A 01699 140.367 67.764 139.506 1.00737.35 N ATOM 35282 C8 A 01699 139.775 68.755 138.757 1.00737.35 C ATOM 35283 N7 A 01699 139.326 69.759 139.471 1.00737.35 N ATOM 35284 C5 A 01699 139.642 69.408 140.775 1.00737.35 C ATOM 35285 C6 A 01699 139.433 70.056 142.006 1.00737.35 C ATOM 35286 N6 A 01699 138.831 71.241 142.125 1.00737.35 N ATOM 35287 N1 A 01699 139.867 69.437 143.124 1.00737.35 N ATOM 35288 C2 A 01699 140.473 68.249 143.003 1.00737.35 C ATOM 35289 N3 A 01699 140.729 67.540 141.907 1.00737.35 N ATOM 35290 C4 A 01699 140.283 68.183 140.813 1.00737.35 C ATOM 35291 P C 01700 137.303 63.800 137.347 1.00737.35 P ATOM 35292 O1P C 01700 137.095 62.335 137.228 1.00737.35 O ATOM 35293 O2P C 01700 136.684 64.710 136.350 1.00737.35 O ATOM 35294 O5* C 01700 136.827 64.257 138.798 1.00737.35 O ATOM 35295 C5* C 01700 137.277 63.579 139.969 1.00737.35 C ATOM 35296 C4* C 01700 136.789 64.292 141.208 1.00737.35 C ATOM 35297 O4* C 01700 137.383 65.616 141.273 1.00737.35 O ATOM 35298 C3* C 01700 135.291 64.548 141.275 1.00737.35 C ATOM 35299 O3* C 01700 134.599 63.409 141.770 1.00737.35 O ATOM 35300 C2* C 01700 135.208 65.735 142.228 1.00737.35 C ATOM 35301 O2* C 01700 135.291 65.361 143.589 1.00737.35 O ATOM 35302 C1* C 01700 136.453 66.533 141.832 1.00737.35 C ATOM 35303 N1 C 01700 136.188 67.602 140.846 1.00737.35 N ATOM 35304 C2 C 01700 135.720 68.849 141.302 1.00737.35 C ATOM 35305 O2 C 01700 135.536 69.023 142.520 1.00737.35 O ATOM 35306 N3 C 01700 135.480 69.830 140.401 1.00737.35 N ATOM 35307 C4 C 01700 135.683 69.612 139.100 1.00737.35 C ATOM 35308 N4 C 01700 135.434 70.612 138.254 1.00737.35 N ATOM 35309 C5 C 01700 136.154 68.358 138.612 1.00737.35 C ATOM 35310 C6 C 01700 136.391 67.392 139.508 1.00737.35 C ATOM 35311 P C 01701 133.057 63.178 141.375 1.00737.35 P ATOM 35312 O1P C 01701 132.648 61.868 141.944 1.00737.35 O ATOM 35313 O2P C 01701 132.902 63.423 139.918 1.00737.35 O ATOM 35314 O5* C 01701 132.284 64.329 142.161 1.00737.35 O ATOM 35315 C5* C 01701 132.201 64.315 143.584 1.00737.35 C ATOM 35316 C4* C 01701 131.485 65.549 144.083 1.00737.35 C ATOM 35317 O4* C 01701 132.278 66.727 143.780 1.00737.35 O ATOM 35318 C3* C 01701 130.135 65.836 143.447 1.00737.35 C ATOM 35319 O3* C 01701 129.101 65.079 144.070 1.00737.35 O ATOM 35320 C2* C 01701 129.977 67.333 143.690 1.00737.35 C ATOM 35321 O2* C 01701 129.531 67.640 144.995 1.00737.35 O ATOM 35322 C1* C 01701 131.418 67.823 143.506 1.00737.35 C ATOM 35323 N1 C 01701 131.699 68.326 142.146 1.00737.35 N ATOM 35324 C2 C 01701 131.398 69.663 141.842 1.00737.35 C ATOM 35325 O2 C 01701 130.904 70.390 142.719 1.00737.35 O ATOM 35326 N3 C 01701 131.651 70.131 140.598 1.00737.35 N ATOM 35327 C4 C 01701 132.184 69.324 139.676 1.00737.35 C ATOM 35328 N4 C 01701 132.415 69.831 138.462 1.00737.35 N ATOM 35329 C5 C 01701 132.500 67.963 139.957 1.00737.35 C ATOM 35330 C6 C 01701 132.245 67.510 141.192 1.00737.35 C ATOM 35331 P C 01702 127.757 64.744 143.253 1.00737.35 P ATOM 35332 O1P C 01702 126.939 63.845 144.105 1.00737.35 O ATOM 35333 O2P C 01702 128.131 64.316 141.881 1.00737.35 O ATOM 35334 O5* C 01702 127.014 66.150 143.151 1.00737.35 O ATOM 35335 C5* C 01702 126.518 66.801 144.319 1.00737.35 C ATOM 35336 C4* C 01702 125.995 68.177 143.979 1.00737.35 C ATOM 35337 O4* C 01702 127.086 69.013 143.514 1.00737.35 O ATOM 35338 C3* C 01702 124.974 68.249 142.855 1.00737.35 C ATOM 35339 O3* C 01702 123.667 67.944 143.330 1.00737.35 O ATOM 35340 C2* C 01702 125.095 69.701 142.405 1.00737.35 C ATOM 35341 O2* C 01702 124.375 70.599 143.229 1.00737.35 O ATOM 35342 C1* C 01702 126.598 69.946 142.560 1.00737.35 C ATOM 35343 N1 C 01702 127.355 69.791 141.302 1.00737.35 N ATOM 35344 C2 C 01702 127.505 70.907 140.461 1.00737.35 C ATOM 35345 O2 C 01702 127.008 71.993 140.799 1.00737.35 O ATOM 35346 N3 C 01702 128.191 70.773 139.301 1.00737.35 N ATOM 35347 C4 C 01702 128.715 69.591 138.968 1.00737.35 C ATOM 35348 N4 C 01702 129.381 69.507 137.812 1.00737.35 N ATOM 35349 C5 C 01702 128.580 68.441 139.802 1.00737.35 C ATOM 35350 C6 C 01702 127.899 68.585 140.947 1.00737.35 C ATOM 35351 P C 01703 122.566 67.357 142.315 1.00737.35 P ATOM 35352 O1P C 01703 121.373 66.997 143.121 1.00737.35 O ATOM 35353 O2P C 01703 123.211 66.327 141.460 1.00737.35 O ATOM 35354 O5* C 01703 122.192 68.604 141.394 1.00737.35 O ATOM 35355 C5* C 01703 121.488 69.724 141.930 1.00737.35 C ATOM 35356 C4* C 01703 121.305 70.788 140.873 1.00737.35 C ATOM 35357 O4* C 01703 122.598 71.312 140.481 1.00737.35 O ATOM 35358 C3* C 01703 120.678 70.327 139.566 1.00737.35 C ATOM 35359 O3* C 01703 119.256 70.300 139.663 1.00737.35 O ATOM 35360 C2* C 01703 121.156 71.392 138.586 1.00737.35 C ATOM 35361 O2* C 01703 120.375 72.571 138.623 1.00737.35 O ATOM 35362 C1* C 01703 122.563 71.688 139.114 1.00737.35 C ATOM 35363 N1 C 01703 123.637 70.980 138.389 1.00737.35 N ATOM 35364 C2 C 01703 124.159 71.556 137.217 1.00737.35 C ATOM 35365 O2 C 01703 123.702 72.641 136.819 1.00737.35 O ATOM 35366 N3 C 01703 125.144 70.914 136.548 1.00737.35 N ATOM 35367 C4 C 01703 125.612 69.749 136.999 1.00737.35 C ATOM 35368 N4 C 01703 126.585 69.155 136.303 1.00737.35 N ATOM 35369 C5 C 01703 125.102 69.143 138.185 1.00737.35 C ATOM 35370 C6 C 01703 124.128 69.785 138.842 1.00737.35 C ATOM 35371 P G 01704 118.430 69.120 138.949 1.00737.35 P ATOM 35372 O1P G 01704 116.987 69.405 139.155 1.00737.35 O ATOM 35373 O2P G 01704 118.989 67.818 139.391 1.00737.35 O ATOM 35374 O5* G 01704 118.756 69.301 137.398 1.00737.35 O ATOM 35375 C5* G 01704 118.367 70.482 136.698 1.00737.35 C ATOM 35376 C4* G 01704 119.090 70.569 135.374 1.00737.35 C ATOM 35377 O4* G 01704 120.520 70.649 135.620 1.00737.35 O ATOM 35378 C3* G 01704 118.929 69.370 134.452 1.00737.35 C ATOM 35379 O3* G 01704 117.741 69.484 133.672 1.00737.35 O ATOM 35380 C2* G 01704 120.187 69.448 133.596 1.00737.35 C ATOM 35381 O2* G 01704 120.085 70.386 132.543 1.00737.35 O ATOM 35382 C1* G 01704 121.219 69.927 134.618 1.00737.35 C ATOM 35383 N9 G 01704 121.953 68.839 135.263 1.00737.35 N ATOM 35384 C8 G 01704 121.608 68.175 136.416 1.00737.35 C ATOM 35385 N7 G 01704 122.464 67.247 136.748 1.00737.35 N ATOM 35386 C5 G 01704 123.433 67.300 135.755 1.00737.35 C ATOM 35387 C6 G 01704 124.613 66.531 135.581 1.00737.35 C ATOM 35388 O6 G 01704 125.052 65.619 136.293 1.00737.35 O ATOM 35389 N1 G 01704 125.307 66.915 134.438 1.00737.35 N ATOM 35390 C2 G 01704 124.921 67.909 133.575 1.00737.35 C ATOM 35391 N2 G 01704 125.727 68.129 132.526 1.00737.35 N ATOM 35392 N3 G 01704 123.825 68.634 133.726 1.00737.35 N ATOM 35393 C4 G 01704 123.132 68.279 134.831 1.00737.35 C ATOM 35394 P U 01705 117.033 68.162 133.092 1.00737.35 P ATOM 35395 O1P U 01705 115.749 68.585 132.477 1.00737.35 O ATOM 35396 O2P U 01705 117.026 67.122 134.153 1.00737.35 O ATOM 35397 O5* U 01705 118.008 67.680 131.927 1.00737.35 O ATOM 35398 C5* U 01705 118.240 68.495 130.780 1.00737.35 C ATOM 35399 C4* U 01705 119.449 68.002 130.021 1.00737.35 C ATOM 35400 O4* U 01705 120.611 68.064 130.884 1.00737.35 O ATOM 35401 C3* U 01705 119.400 66.553 129.562 1.00737.35 C ATOM 35402 O3* U 01705 118.723 66.437 128.314 1.00737.35 O ATOM 35403 C2* U 01705 120.879 66.204 129.429 1.00737.35 C ATOM 35404 O2* U 01705 121.448 66.649 128.213 1.00737.35 O ATOM 35405 C1* U 01705 121.484 66.984 130.599 1.00737.35 C ATOM 35406 N1 U 01705 121.654 66.178 131.821 1.00737.35 N ATOM 35407 C2 U 01705 122.899 65.609 132.050 1.00737.35 C ATOM 35408 O2 U 01705 123.852 65.756 131.299 1.00737.35 O ATOM 35409 N3 U 01705 122.990 64.861 133.198 1.00737.35 N ATOM 35410 C4 U 01705 121.991 64.629 134.122 1.00737.35 C ATOM 35411 O4 U 01705 122.228 63.930 135.108 1.00737.35 O ATOM 35412 C5 U 01705 120.740 65.251 133.818 1.00737.35 C ATOM 35413 C6 U 01705 120.616 65.987 132.707 1.00737.35 C ATOM 35414 P A 01706 117.828 65.135 128.009 1.00737.35 P ATOM 35415 O1P A 01706 116.582 65.253 128.810 1.00737.35 O ATOM 35416 O2P A 01706 118.686 63.931 128.160 1.00737.35 O ATOM 35417 O5* A 01706 117.448 65.282 126.468 1.00737.35 O ATOM 35418 C5* A 01706 116.661 66.378 126.006 1.00737.35 C ATOM 35419 C4* A 01706 116.876 66.593 124.526 1.00737.35 C ATOM 35420 O4* A 01706 118.268 66.934 124.292 1.00737.35 O ATOM 35421 C3* A 01706 116.627 65.382 123.637 1.00737.35 C ATOM 35422 O3* A 01706 115.246 65.266 123.304 1.00737.35 O ATOM 35423 C2* A 01706 117.487 65.695 122.419 1.00737.35 C ATOM 35424 O2* A 01706 116.874 66.598 121.520 1.00737.35 O ATOM 35425 C1* A 01706 118.704 66.356 123.071 1.00737.35 C ATOM 35426 N9 A 01706 119.786 65.414 123.368 1.00737.35 N ATOM 35427 C8 A 01706 119.972 64.670 124.507 1.00737.35 C ATOM 35428 N7 A 01706 121.039 63.910 124.476 1.00737.35 N ATOM 35429 C5 A 01706 121.595 64.169 123.231 1.00737.35 C ATOM 35430 C6 A 01706 122.744 63.674 122.588 1.00737.35 C ATOM 35431 N6 A 01706 123.572 62.779 123.132 1.00737.35 N ATOM 35432 N1 A 01706 123.016 64.137 121.348 1.00737.35 N ATOM 35433 C2 A 01706 122.185 65.033 120.802 1.00737.35 C ATOM 35434 N3 A 01706 121.077 65.572 121.303 1.00737.35 N ATOM 35435 C4 A 01706 120.834 65.093 122.537 1.00737.35 C ATOM 35436 P A 01707 114.644 63.835 122.886 1.00737.35 P ATOM 35437 O1P A 01707 113.170 63.991 122.789 1.00737.35 O ATOM 35438 O2P A 01707 115.211 62.800 123.788 1.00737.35 O ATOM 35439 O5* A 01707 115.217 63.586 121.421 1.00737.35 O ATOM 35440 C5* A 01707 114.795 64.392 120.323 1.00737.35 C ATOM 35441 C4* A 01707 115.381 63.872 119.029 1.00737.35 C ATOM 35442 O4* A 01707 116.827 63.986 119.075 1.00737.35 O ATOM 35443 C3* A 01707 115.127 62.402 118.729 1.00737.35 C ATOM 35444 O3* A 01707 113.858 62.218 118.112 1.00737.35 O ATOM 35445 C2* A 01707 116.271 62.066 117.778 1.00737.35 C ATOM 35446 O2* A 01707 116.021 62.461 116.444 1.00737.35 O ATOM 35447 C1* A 01707 117.412 62.907 118.361 1.00737.35 C ATOM 35448 N9 A 01707 118.282 62.162 119.273 1.00737.35 N ATOM 35449 C8 A 01707 118.091 61.909 120.611 1.00737.35 C ATOM 35450 N7 A 01707 119.053 61.207 121.159 1.00737.35 N ATOM 35451 C5 A 01707 119.938 60.983 120.114 1.00737.35 C ATOM 35452 C6 A 01707 121.164 60.297 120.041 1.00737.35 C ATOM 35453 N6 A 01707 121.734 59.689 121.085 1.00737.35 N ATOM 35454 N1 A 01707 121.794 60.260 118.848 1.00737.35 N ATOM 35455 C2 A 01707 121.224 60.871 117.803 1.00737.35 C ATOM 35456 N3 A 01707 120.077 61.544 117.744 1.00737.35 N ATOM 35457 C4 A 01707 119.475 61.564 118.945 1.00737.35 C ATOM 35458 P C 01708 112.953 60.948 118.509 1.00737.35 P ATOM 35459 O1P C 01708 111.772 60.948 117.608 1.00737.35 O ATOM 35460 O2P C 01708 112.751 60.957 119.981 1.00737.35 O ATOM 35461 O5* C 01708 113.862 59.691 118.139 1.00737.35 O ATOM 35462 C5* C 01708 114.305 59.472 116.802 1.00737.35 C ATOM 35463 C4* C 01708 115.390 58.421 116.772 1.00737.35 C ATOM 35464 O4* C 01708 116.513 58.875 117.574 1.00737.35 O ATOM 35465 C3* C 01708 115.024 57.072 117.371 1.00737.35 C ATOM 35466 O3* C 01708 114.357 56.251 116.414 1.00737.35 O ATOM 35467 C2* C 01708 116.388 56.506 117.746 1.00737.35 C ATOM 35468 O2* C 01708 117.077 55.937 116.650 1.00737.35 O ATOM 35469 C1* C 01708 117.117 57.766 118.222 1.00737.35 C ATOM 35470 N1 C 01708 117.046 57.971 119.685 1.00737.35 N ATOM 35471 C2 C 01708 117.997 57.337 120.504 1.00737.35 C ATOM 35472 O2 C 01708 118.873 56.628 119.980 1.00737.35 O ATOM 35473 N3 C 01708 117.934 57.515 121.845 1.00737.35 N ATOM 35474 C4 C 01708 116.980 58.281 122.374 1.00737.35 C ATOM 35475 N4 C 01708 116.957 58.424 123.701 1.00737.35 N ATOM 35476 C5 C 01708 116.006 58.937 121.566 1.00737.35 C ATOM 35477 C6 C 01708 116.075 58.757 120.241 1.00737.35 C ATOM 35478 P U 01709 113.302 55.142 116.909 1.00737.35 P ATOM 35479 O1P U 01709 112.788 54.452 115.700 1.00737.35 O ATOM 35480 O2P U 01709 112.345 55.787 117.845 1.00737.35 O ATOM 35481 O5* U 01709 114.184 54.105 117.736 1.00737.35 O ATOM 35482 C5* U 01709 115.229 53.364 117.107 1.00737.35 C ATOM 35483 C4* U 01709 116.105 52.703 118.147 1.00737.35 C ATOM 35484 O4* U 01709 116.701 53.727 118.988 1.00737.35 O ATOM 35485 C3* U 01709 115.394 51.780 119.123 1.00737.35 C ATOM 35486 O3* U 01709 115.264 50.468 118.579 1.00737.35 O ATOM 35487 C2* U 01709 116.335 51.795 120.323 1.00737.35 C ATOM 35488 O2* U 01709 117.440 50.924 120.176 1.00737.35 O ATOM 35489 C1* U 01709 116.816 53.247 120.319 1.00737.35 C ATOM 35490 N1 U 01709 116.043 54.127 121.211 1.00737.35 N ATOM 35491 C2 U 01709 116.457 54.238 122.531 1.00737.35 C ATOM 35492 O2 U 01709 117.426 53.646 122.978 1.00737.35 O ATOM 35493 N3 U 01709 115.690 55.071 123.309 1.00737.35 N ATOM 35494 C4 U 01709 114.581 55.790 122.918 1.00737.35 C ATOM 35495 O4 U 01709 113.998 56.498 123.740 1.00737.35 O ATOM 35496 C5 U 01709 114.216 55.624 121.543 1.00737.35 C ATOM 35497 C6 U 01709 114.940 54.822 120.757 1.00737.35 C ATOM 35498 P U 01710 114.080 49.503 119.086 1.00737.35 P ATOM 35499 O1P U 01710 113.083 49.420 117.989 1.00737.35 O ATOM 35500 O2P U 01710 113.644 49.932 120.441 1.00737.35 O ATOM 35501 O5* U 01710 114.789 48.081 119.211 1.00737.35 O ATOM 35502 C5* U 01710 114.204 47.027 119.976 1.00737.35 C ATOM 35503 C4* U 01710 115.285 46.220 120.659 1.00737.35 C ATOM 35504 O4* U 01710 116.152 45.641 119.648 1.00737.35 O ATOM 35505 C3* U 01710 116.223 47.024 121.547 1.00737.35 C ATOM 35506 O3* U 01710 115.687 47.163 122.862 1.00737.35 O ATOM 35507 C2* U 01710 117.487 46.173 121.543 1.00737.35 C ATOM 35508 O2* U 01710 117.431 45.087 122.447 1.00737.35 O ATOM 35509 C1* U 01710 117.496 45.649 120.104 1.00737.35 C ATOM 35510 N1 U 01710 118.303 46.464 119.181 1.00737.35 N ATOM 35511 C2 U 01710 119.654 46.167 119.062 1.00737.35 C ATOM 35512 O2 U 01710 120.196 45.266 119.683 1.00737.35 O ATOM 35513 N3 U 01710 120.347 46.966 118.188 1.00737.35 N ATOM 35514 C4 U 01710 119.847 48.009 117.436 1.00737.35 C ATOM 35515 O4 U 01710 120.601 48.636 116.690 1.00737.35 O ATOM 35516 C5 U 01710 118.449 48.256 117.613 1.00737.35 C ATOM 35517 C6 U 01710 117.744 47.496 118.457 1.00737.35 C ATOM 35518 P C 01711 115.018 48.556 123.310 1.00737.35 P ATOM 35519 O1P C 01711 113.561 48.306 123.460 1.00737.35 O ATOM 35520 O2P C 01711 115.485 49.636 122.402 1.00737.35 O ATOM 35521 O5* C 01711 115.616 48.828 124.764 1.00737.35 O ATOM 35522 C5* C 01711 116.835 49.551 124.929 1.00737.35 C ATOM 35523 C4* C 01711 116.652 50.665 125.933 1.00737.35 C ATOM 35524 O4* C 01711 115.572 51.529 125.488 1.00737.35 O ATOM 35525 C3* C 01711 116.247 50.241 127.335 1.00737.35 C ATOM 35526 O3* C 01711 117.401 49.911 128.106 1.00737.35 O ATOM 35527 C2* C 01711 115.552 51.491 127.866 1.00737.35 C ATOM 35528 O2* C 01711 116.456 52.471 128.339 1.00737.35 O ATOM 35529 C1* C 01711 114.844 52.003 126.610 1.00737.35 C ATOM 35530 N1 C 01711 113.442 51.549 126.493 1.00737.35 N ATOM 35531 C2 C 01711 112.428 52.319 127.090 1.00737.35 C ATOM 35532 O2 C 01711 112.732 53.359 127.698 1.00737.35 O ATOM 35533 N3 C 01711 111.143 51.906 126.989 1.00737.35 N ATOM 35534 C4 C 01711 110.851 50.784 126.329 1.00737.35 C ATOM 35535 N4 C 01711 109.570 50.417 126.256 1.00737.35 N ATOM 35536 C5 C 01711 111.860 49.986 125.715 1.00737.35 C ATOM 35537 C6 C 01711 113.127 50.401 125.821 1.00737.35 C ATOM 35538 P G 01712 117.244 49.058 129.461 1.00737.35 P ATOM 35539 O1P G 01712 116.728 47.715 129.086 1.00737.35 O ATOM 35540 O2P G 01712 116.501 49.880 130.450 1.00737.35 O ATOM 35541 O5* G 01712 118.741 48.884 129.979 1.00737.35 O ATOM 35542 C5* G 01712 119.662 49.972 129.942 1.00737.35 C ATOM 35543 C4* G 01712 121.058 49.465 129.658 1.00737.35 C ATOM 35544 O4* G 01712 121.026 48.609 128.488 1.00737.35 O ATOM 35545 C3* G 01712 122.084 50.538 129.327 1.00737.35 C ATOM 35546 O3* G 01712 122.671 51.080 130.508 1.00737.35 O ATOM 35547 C2* G 01712 123.109 49.765 128.502 1.00737.35 C ATOM 35548 O2* G 01712 124.033 49.048 129.297 1.00737.35 O ATOM 35549 C1* G 01712 122.217 48.784 127.739 1.00737.35 C ATOM 35550 N9 G 01712 121.855 49.204 126.386 1.00737.35 N ATOM 35551 C8 G 01712 122.279 48.629 125.210 1.00737.35 C ATOM 35552 N7 G 01712 121.801 49.221 124.149 1.00737.35 N ATOM 35553 C5 G 01712 121.010 50.246 124.653 1.00737.35 C ATOM 35554 C6 G 01712 120.232 51.222 123.977 1.00737.35 C ATOM 35555 O6 G 01712 120.084 51.383 122.760 1.00737.35 O ATOM 35556 N1 G 01712 119.585 52.068 124.872 1.00737.35 N ATOM 35557 C2 G 01712 119.672 51.987 126.239 1.00737.35 C ATOM 35558 N2 G 01712 118.967 52.893 126.933 1.00737.35 N ATOM 35559 N3 G 01712 120.396 51.085 126.880 1.00737.35 N ATOM 35560 C4 G 01712 121.034 50.250 126.032 1.00737.35 C ATOM 35561 P G 01713 122.823 52.676 130.675 1.00737.35 P ATOM 35562 O1P G 01713 123.691 52.914 131.855 1.00737.35 O ATOM 35563 O2P G 01713 121.466 53.279 130.629 1.00737.35 O ATOM 35564 O5* G 01713 123.621 53.146 129.375 1.00737.35 O ATOM 35565 C5* G 01713 124.769 52.436 128.916 1.00737.35 C ATOM 35566 C4* G 01713 124.954 52.642 127.430 1.00737.35 C ATOM 35567 O4* G 01713 123.691 52.366 126.763 1.00737.35 O ATOM 35568 C3* G 01713 125.301 54.059 126.994 1.00737.35 C ATOM 35569 O3* G 01713 126.707 54.279 127.064 1.00737.35 O ATOM 35570 C2* G 01713 124.802 54.080 125.556 1.00737.35 C ATOM 35571 O2* G 01713 125.691 53.458 124.648 1.00737.35 O ATOM 35572 C1* G 01713 123.519 53.259 125.670 1.00737.35 C ATOM 35573 N9 G 01713 122.336 54.081 125.919 1.00737.35 N ATOM 35574 C8 G 01713 121.837 54.472 127.141 1.00737.35 C ATOM 35575 N7 G 01713 120.767 55.212 127.044 1.00737.35 N ATOM 35576 C5 G 01713 120.543 55.316 125.678 1.00737.35 C ATOM 35577 C6 G 01713 119.523 55.998 124.963 1.00737.35 C ATOM 35578 O6 G 01713 118.583 56.666 125.409 1.00737.35 O ATOM 35579 N1 G 01713 119.672 55.841 123.589 1.00737.35 N ATOM 35580 C2 G 01713 120.671 55.127 122.978 1.00737.35 C ATOM 35581 N2 G 01713 120.643 55.097 121.638 1.00737.35 N ATOM 35582 N3 G 01713 121.628 54.487 123.631 1.00737.35 N ATOM 35583 C4 G 01713 121.503 54.622 124.970 1.00737.35 C ATOM 35584 P A 01714 127.275 55.767 127.287 1.00737.35 P ATOM 35585 O1P A 01714 128.756 55.690 127.216 1.00737.35 O ATOM 35586 O2P A 01714 126.631 56.337 128.498 1.00737.35 O ATOM 35587 O5* A 01714 126.758 56.581 126.018 1.00737.35 O ATOM 35588 C5* A 01714 127.138 56.199 124.695 1.00737.35 C ATOM 35589 C4* A 01714 126.284 56.922 123.676 1.00737.35 C ATOM 35590 O4* A 01714 124.890 56.573 123.886 1.00737.35 O ATOM 35591 C3* A 01714 126.316 58.439 123.754 1.00737.35 C ATOM 35592 O3* A 01714 127.413 58.942 122.996 1.00737.35 O ATOM 35593 C2* A 01714 124.979 58.828 123.130 1.00737.35 C ATOM 35594 O2* A 01714 125.007 58.836 121.717 1.00737.35 O ATOM 35595 C1* A 01714 124.069 57.700 123.624 1.00737.35 C ATOM 35596 N9 A 01714 123.325 58.022 124.842 1.00737.35 N ATOM 35597 C8 A 01714 123.736 57.881 126.146 1.00737.35 C ATOM 35598 N7 A 01714 122.835 58.244 127.026 1.00737.35 N ATOM 35599 C5 A 01714 121.757 58.651 126.252 1.00737.35 C ATOM 35600 C6 A 01714 120.484 59.147 126.587 1.00737.35 C ATOM 35601 N6 A 01714 120.066 59.320 127.845 1.00737.35 N ATOM 35602 N1 A 01714 119.647 59.463 125.576 1.00737.35 N ATOM 35603 C2 A 01714 120.068 59.287 124.319 1.00737.35 C ATOM 35604 N3 A 01714 121.235 58.827 123.875 1.00737.35 N ATOM 35605 C4 A 01714 122.047 58.523 124.905 1.00737.35 C ATOM 35606 P A 01715 128.191 60.259 123.492 1.00737.35 P ATOM 35607 O1P A 01715 127.212 61.374 123.516 1.00737.35 O ATOM 35608 O2P A 01715 129.428 60.388 122.678 1.00737.35 O ATOM 35609 O5* A 01715 128.604 59.926 124.994 1.00737.35 O ATOM 35610 C5* A 01715 129.752 60.529 125.586 1.00737.35 C ATOM 35611 C4* A 01715 129.379 61.233 126.868 1.00737.35 C ATOM 35612 O4* A 01715 128.357 62.224 126.582 1.00737.35 O ATOM 35613 C3* A 01715 128.767 60.372 127.964 1.00737.35 C ATOM 35614 O3* A 01715 129.792 59.719 128.715 1.00737.35 O ATOM 35615 C2* A 01715 127.995 61.402 128.785 1.00737.35 C ATOM 35616 O2* A 01715 128.813 62.125 129.680 1.00737.35 O ATOM 35617 C1* A 01715 127.484 62.342 127.693 1.00737.35 C ATOM 35618 N9 A 01715 126.117 62.062 127.248 1.00737.35 N ATOM 35619 C8 A 01715 125.702 61.288 126.193 1.00737.35 C ATOM 35620 N7 A 01715 124.401 61.243 126.046 1.00737.35 N ATOM 35621 C5 A 01715 123.923 62.040 127.078 1.00737.35 C ATOM 35622 C6 A 01715 122.621 62.403 127.468 1.00737.35 C ATOM 35623 N6 A 01715 121.518 61.997 126.834 1.00737.35 N ATOM 35624 N1 A 01715 122.489 63.209 128.543 1.00737.35 N ATOM 35625 C2 A 01715 123.595 63.620 129.173 1.00737.35 C ATOM 35626 N3 A 01715 124.869 63.351 128.901 1.00737.35 N ATOM 35627 C4 A 01715 124.967 62.547 127.828 1.00737.35 C ATOM 35628 P G 01716 129.426 58.959 130.087 1.00737.35 P ATOM 35629 O1P G 01716 130.482 57.939 130.317 1.00737.35 O ATOM 35630 O2P G 01716 127.998 58.542 130.050 1.00737.35 O ATOM 35631 O5* G 01716 129.595 60.095 131.192 1.00737.35 O ATOM 35632 C5* G 01716 129.039 59.950 132.496 1.00737.35 C ATOM 35633 C4* G 01716 129.693 60.919 133.455 1.00737.35 C ATOM 35634 O4* G 01716 131.103 60.590 133.576 1.00737.35 O ATOM 35635 C3* G 01716 129.679 62.383 133.033 1.00737.35 C ATOM 35636 O3* G 01716 128.455 63.017 133.410 1.00737.35 O ATOM 35637 C2* G 01716 130.880 62.945 133.784 1.00737.35 C ATOM 35638 O2* G 01716 130.604 63.228 135.143 1.00737.35 O ATOM 35639 C1* G 01716 131.869 61.780 133.684 1.00737.35 C ATOM 35640 N9 G 01716 132.751 61.870 132.522 1.00737.35 N ATOM 35641 C8 G 01716 132.661 61.153 131.352 1.00737.35 C ATOM 35642 N7 G 01716 133.593 61.454 130.491 1.00737.35 N ATOM 35643 C5 G 01716 134.347 62.430 131.127 1.00737.35 C ATOM 35644 C6 G 01716 135.493 63.140 130.685 1.00737.35 C ATOM 35645 O6 G 01716 136.089 63.044 129.606 1.00737.35 O ATOM 35646 N1 G 01716 135.939 64.041 131.646 1.00737.35 N ATOM 35647 C2 G 01716 135.361 64.237 132.876 1.00737.35 C ATOM 35648 N2 G 01716 135.940 65.154 133.660 1.00737.35 N ATOM 35649 N3 G 01716 134.293 63.581 133.301 1.00737.35 N ATOM 35650 C4 G 01716 133.841 62.699 132.382 1.00737.35 C ATOM 35651 P A 01717 128.164 64.535 132.955 1.00737.35 P ATOM 35652 O1P A 01717 129.073 65.412 133.738 1.00737.35 O ATOM 35653 O2P A 01717 126.697 64.757 133.020 1.00737.35 O ATOM 35654 O5* A 01717 128.606 64.589 131.425 1.00737.35 O ATOM 35655 C5* A 01717 128.870 65.836 130.785 1.00737.35 C ATOM 35656 C4* A 01717 129.059 65.637 129.299 1.00737.35 C ATOM 35657 O4* A 01717 127.848 65.067 128.739 1.00737.35 O ATOM 35658 C3* A 01717 129.273 66.908 128.493 1.00737.35 C ATOM 35659 O3* A 01717 130.642 67.300 128.496 1.00737.35 O ATOM 35660 C2* A 01717 128.823 66.489 127.099 1.00737.35 C ATOM 35661 O2* A 01717 129.813 65.772 126.386 1.00737.35 O ATOM 35662 C1* A 01717 127.648 65.563 127.424 1.00737.35 C ATOM 35663 N9 A 01717 126.346 66.227 127.366 1.00737.35 N ATOM 35664 C8 A 01717 125.624 66.781 128.395 1.00737.35 C ATOM 35665 N7 A 01717 124.484 67.308 128.020 1.00737.35 N ATOM 35666 C5 A 01717 124.450 67.086 126.649 1.00737.35 C ATOM 35667 C6 A 01717 123.503 67.412 125.662 1.00737.35 C ATOM 35668 N6 A 01717 122.359 68.053 125.914 1.00737.35 N ATOM 35669 N1 A 01717 123.771 67.047 124.391 1.00737.35 N ATOM 35670 C2 A 01717 124.919 66.405 124.137 1.00737.35 C ATOM 35671 N3 A 01717 125.888 66.046 124.977 1.00737.35 N ATOM 35672 C4 A 01717 125.587 66.422 126.235 1.00737.35 C ATOM 35673 P A 01718 131.028 68.847 128.704 1.00737.35 P ATOM 35674 O1P A 01718 132.420 69.028 128.222 1.00737.35 O ATOM 35675 O2P A 01718 130.678 69.226 130.093 1.00737.35 O ATOM 35676 O5* A 01718 130.046 69.629 127.723 1.00737.35 O ATOM 35677 C5* A 01718 130.250 69.623 126.310 1.00737.35 C ATOM 35678 C4* A 01718 129.153 70.403 125.622 1.00737.35 C ATOM 35679 O4* A 01718 127.889 69.713 125.796 1.00737.35 O ATOM 35680 C3* A 01718 128.903 71.794 126.180 1.00737.35 C ATOM 35681 O3* A 01718 129.799 72.750 125.621 1.00737.35 O ATOM 35682 C2* A 01718 127.458 72.052 125.765 1.00737.35 C ATOM 35683 O2* A 01718 127.328 72.465 124.421 1.00737.35 O ATOM 35684 C1* A 01718 126.842 70.660 125.944 1.00737.35 C ATOM 35685 N9 A 01718 126.225 70.463 127.258 1.00737.35 N ATOM 35686 C8 A 01718 126.837 70.102 128.435 1.00737.35 C ATOM 35687 N7 A 01718 126.013 70.008 129.452 1.00737.35 N ATOM 35688 C5 A 01718 124.777 70.326 128.908 1.00737.35 C ATOM 35689 C6 A 01718 123.490 70.404 129.470 1.00737.35 C ATOM 35690 N6 A 01718 123.227 70.160 130.757 1.00737.35 N ATOM 35691 N1 A 01718 122.468 70.746 128.657 1.00737.35 N ATOM 35692 C2 A 01718 122.733 70.992 127.368 1.00737.35 C ATOM 35693 N3 A 01718 123.896 70.951 126.722 1.00737.35 N ATOM 35694 C4 A 01718 124.891 70.608 127.559 1.00737.35 C ATOM 35695 P G 01719 130.631 73.722 126.594 1.00737.35 P ATOM 35696 O1P G 01719 131.236 74.782 125.747 1.00737.35 O ATOM 35697 O2P G 01719 131.504 72.885 127.454 1.00737.35 O ATOM 35698 O5* G 01719 129.516 74.392 127.517 1.00737.35 O ATOM 35699 C5* G 01719 128.575 75.314 126.974 1.00737.35 C ATOM 35700 C4* G 01719 127.589 75.751 128.034 1.00737.35 C ATOM 35701 O4* G 01719 126.785 74.613 128.452 1.00737.35 O ATOM 35702 C3* G 01719 128.185 76.268 129.333 1.00737.35 C ATOM 35703 O3* G 01719 128.573 77.634 129.220 1.00737.35 O ATOM 35704 C2* G 01719 127.030 76.082 130.308 1.00737.35 C ATOM 35705 O2* G 01719 126.063 77.112 130.235 1.00737.35 O ATOM 35706 C1* G 01719 126.425 74.764 129.817 1.00737.35 C ATOM 35707 N9 G 01719 126.899 73.600 130.561 1.00737.35 N ATOM 35708 C8 G 01719 128.038 72.864 130.326 1.00737.35 C ATOM 35709 N7 G 01719 128.199 71.885 131.175 1.00737.35 N ATOM 35710 C5 G 01719 127.103 71.979 132.024 1.00737.35 C ATOM 35711 C6 G 01719 126.734 71.188 133.144 1.00737.35 C ATOM 35712 O6 G 01719 127.325 70.216 133.632 1.00737.35 O ATOM 35713 N1 G 01719 125.544 71.631 133.711 1.00737.35 N ATOM 35714 C2 G 01719 124.803 72.697 133.264 1.00737.35 C ATOM 35715 N2 G 01719 123.683 72.966 133.949 1.00737.35 N ATOM 35716 N3 G 01719 125.136 73.444 132.225 1.00737.35 N ATOM 35717 C4 G 01719 126.289 73.031 131.655 1.00737.35 C ATOM 35718 P G 01720 129.719 78.218 130.185 1.00737.35 P ATOM 35719 O1P G 01720 129.979 79.619 129.767 1.00737.35 O ATOM 35720 O2P G 01720 130.842 77.246 130.225 1.00737.35 O ATOM 35721 O5* G 01720 129.034 78.241 131.623 1.00737.35 O ATOM 35722 C5* G 01720 127.984 79.161 131.915 1.00737.35 C ATOM 35723 C4* G 01720 127.492 78.978 133.333 1.00737.35 C ATOM 35724 O4* G 01720 126.861 77.675 133.469 1.00737.35 O ATOM 35725 C3* G 01720 128.550 78.984 134.423 1.00737.35 C ATOM 35726 O3* G 01720 128.915 80.314 134.781 1.00737.35 O ATOM 35727 C2* G 01720 127.839 78.259 135.562 1.00737.35 C ATOM 35728 O2* G 01720 126.962 79.096 136.290 1.00737.35 O ATOM 35729 C1* G 01720 127.032 77.206 134.800 1.00737.35 C ATOM 35730 N9 G 01720 127.677 75.896 134.757 1.00737.35 N ATOM 35731 C8 G 01720 128.534 75.412 133.799 1.00737.35 C ATOM 35732 N7 G 01720 128.953 74.200 134.046 1.00737.35 N ATOM 35733 C5 G 01720 128.336 73.862 135.243 1.00737.35 C ATOM 35734 C6 G 01720 128.408 72.667 136.012 1.00737.35 C ATOM 35735 O6 G 01720 129.055 71.639 135.781 1.00737.35 O ATOM 35736 N1 G 01720 127.622 72.750 137.156 1.00737.35 N ATOM 35737 C2 G 01720 126.865 73.836 137.518 1.00737.35 C ATOM 35738 N2 G 01720 126.172 73.721 138.661 1.00737.35 N ATOM 35739 N3 G 01720 126.787 74.952 136.813 1.00737.35 N ATOM 35740 C4 G 01720 127.543 74.895 135.697 1.00737.35 C ATOM 35741 P G 01721 130.322 80.587 135.511 1.00737.35 P ATOM 35742 O1P G 01721 130.508 82.059 135.573 1.00737.35 O ATOM 35743 O2P G 01721 131.363 79.742 134.870 1.00737.35 O ATOM 35744 O5* G 01721 130.091 80.053 136.994 1.00737.35 O ATOM 35745 C5* G 01721 129.136 80.672 137.854 1.00737.35 C ATOM 35746 C4* G 01721 128.964 79.869 139.122 1.00737.35 C ATOM 35747 O4* G 01721 128.435 78.556 138.800 1.00737.35 O ATOM 35748 C3* G 01721 130.232 79.574 139.909 1.00737.35 C ATOM 35749 O3* G 01721 130.588 80.675 140.737 1.00737.35 O ATOM 35750 C2* G 01721 129.825 78.352 140.724 1.00737.35 C ATOM 35751 O2* G 01721 129.074 78.679 141.880 1.00737.35 O ATOM 35752 C1* G 01721 128.935 77.603 139.729 1.00737.35 C ATOM 35753 N9 G 01721 129.635 76.552 138.995 1.00737.35 N ATOM 35754 C8 G 01721 130.169 76.627 137.728 1.00737.35 C ATOM 35755 N7 G 01721 130.739 75.520 137.344 1.00737.35 N ATOM 35756 C5 G 01721 130.577 74.657 138.422 1.00737.35 C ATOM 35757 C6 G 01721 130.990 73.310 138.592 1.00737.35 C ATOM 35758 O6 G 01721 131.605 72.584 137.800 1.00737.35 O ATOM 35759 N1 G 01721 130.618 72.815 139.838 1.00737.35 N ATOM 35760 C2 G 01721 129.936 73.522 140.797 1.00737.35 C ATOM 35761 N2 G 01721 129.672 72.868 141.937 1.00737.35 N ATOM 35762 N3 G 01721 129.546 74.777 140.652 1.00737.35 N ATOM 35763 C4 G 01721 129.897 75.279 139.446 1.00737.35 C ATOM 35764 P G 01722 132.106 80.835 141.247 1.00737.35 P ATOM 35765 O1P G 01722 132.210 82.157 141.915 1.00737.35 O ATOM 35766 O2P G 01722 133.022 80.508 140.123 1.00737.35 O ATOM 35767 O5* G 01722 132.257 79.703 142.358 1.00737.35 O ATOM 35768 C5* G 01722 131.451 79.722 143.534 1.00737.35 C ATOM 35769 C4* G 01722 131.599 78.424 144.296 1.00737.35 C ATOM 35770 O4* G 01722 131.138 77.324 143.469 1.00737.35 O ATOM 35771 C3* G 01722 133.017 78.035 144.680 1.00737.35 C ATOM 35772 O3* G 01722 133.413 78.683 145.888 1.00737.35 O ATOM 35773 C2* G 01722 132.896 76.525 144.855 1.00737.35 C ATOM 35774 O2* G 01722 132.354 76.152 146.108 1.00737.35 O ATOM 35775 C1* G 01722 131.910 76.166 143.740 1.00737.35 C ATOM 35776 N9 G 01722 132.556 75.733 142.503 1.00737.35 N ATOM 35777 C8 G 01722 132.767 76.482 141.367 1.00737.35 C ATOM 35778 N7 G 01722 133.371 75.818 140.421 1.00737.35 N ATOM 35779 C5 G 01722 133.575 74.555 140.958 1.00737.35 C ATOM 35780 C6 G 01722 134.186 73.403 140.396 1.00737.35 C ATOM 35781 O6 G 01722 134.685 73.266 139.273 1.00737.35 O ATOM 35782 N1 G 01722 134.184 72.336 141.288 1.00737.35 N ATOM 35783 C2 G 01722 133.663 72.369 142.558 1.00737.35 C ATOM 35784 N2 G 01722 133.764 71.233 143.265 1.00737.35 N ATOM 35785 N3 G 01722 133.088 73.434 143.093 1.00737.35 N ATOM 35786 C4 G 01722 133.081 74.484 142.244 1.00737.35 C ATOM 35787 P U 01723 134.974 78.924 146.193 1.00737.35 P ATOM 35788 O1P U 01723 135.057 79.787 147.399 1.00737.35 O ATOM 35789 O2P U 01723 135.644 79.350 144.940 1.00737.35 O ATOM 35790 O5* U 01723 135.518 77.479 146.583 1.00737.35 O ATOM 35791 C5* U 01723 134.965 76.759 147.684 1.00737.35 C ATOM 35792 C4* U 01723 135.328 75.296 147.592 1.00737.35 C ATOM 35793 O4* U 01723 134.818 74.755 146.345 1.00737.35 O ATOM 35794 C3* U 01723 136.816 74.976 147.566 1.00737.35 C ATOM 35795 O3* U 01723 137.332 74.898 148.893 1.00737.35 O ATOM 35796 C2* U 01723 136.842 73.622 146.864 1.00737.35 C ATOM 35797 O2* U 01723 136.542 72.544 147.728 1.00737.35 O ATOM 35798 C1* U 01723 135.721 73.789 145.836 1.00737.35 C ATOM 35799 N1 U 01723 136.191 74.228 144.509 1.00737.35 N ATOM 35800 C2 U 01723 136.689 73.263 143.646 1.00737.35 C ATOM 35801 O2 U 01723 136.758 72.078 143.935 1.00737.35 O ATOM 35802 N3 U 01723 137.107 73.737 142.426 1.00737.35 N ATOM 35803 C4 U 01723 137.079 75.045 141.988 1.00737.35 C ATOM 35804 O4 U 01723 137.487 75.314 140.856 1.00737.35 O ATOM 35805 C5 U 01723 136.552 75.980 142.932 1.00737.35 C ATOM 35806 C6 U 01723 136.139 75.553 144.129 1.00737.35 C ATOM 35807 P C 01724 138.918 74.784 149.134 1.00737.35 P ATOM 35808 O1P C 01724 139.446 73.736 148.224 1.00737.35 O ATOM 35809 O2P C 01724 139.139 74.659 150.597 1.00737.35 O ATOM 35810 O5* C 01724 139.501 76.193 148.667 1.00737.35 O ATOM 35811 C5* C 01724 140.860 76.314 148.254 1.00737.35 C ATOM 35812 C4* C 01724 141.567 77.392 149.047 1.00737.35 C ATOM 35813 O4* C 01724 141.041 78.697 148.695 1.00737.35 O ATOM 35814 C3* C 01724 141.418 77.333 150.559 1.00737.35 C ATOM 35815 O3* C 01724 142.327 76.394 151.130 1.00737.35 O ATOM 35816 C2* C 01724 141.753 78.763 150.971 1.00737.35 C ATOM 35817 O2* C 01724 143.143 79.007 151.058 1.00737.35 O ATOM 35818 C1* C 01724 141.162 79.570 149.810 1.00737.35 C ATOM 35819 N1 C 01724 139.844 80.174 150.101 1.00737.35 N ATOM 35820 C2 C 01724 139.797 81.358 150.855 1.00737.35 C ATOM 35821 O2 C 01724 140.859 81.858 151.264 1.00737.35 O ATOM 35822 N3 C 01724 138.598 81.924 151.121 1.00737.35 N ATOM 35823 C4 C 01724 137.476 81.359 150.670 1.00737.35 C ATOM 35824 N4 C 01724 136.319 81.960 150.955 1.00737.35 N ATOM 35825 C5 C 01724 137.493 80.155 149.908 1.00737.35 C ATOM 35826 C6 C 01724 138.685 79.600 149.650 1.00737.35 C ATOM 35827 P C 01725 142.040 75.793 152.595 1.00737.35 P ATOM 35828 O1P C 01725 143.067 74.756 152.876 1.00737.35 O ATOM 35829 O2P C 01725 140.601 75.436 152.672 1.00737.35 O ATOM 35830 O5* C 01725 142.287 77.027 153.572 1.00737.35 O ATOM 35831 C5* C 01725 143.603 77.504 153.833 1.00737.35 C ATOM 35832 C4* C 01725 143.560 78.694 154.767 1.00737.35 C ATOM 35833 O4* C 01725 142.885 79.800 154.112 1.00737.35 O ATOM 35834 C3* C 01725 142.781 78.499 156.059 1.00737.35 C ATOM 35835 O3* C 01725 143.576 77.850 157.047 1.00737.35 O ATOM 35836 C2* C 01725 142.440 79.934 156.445 1.00737.35 C ATOM 35837 O2* C 01725 143.507 80.607 157.080 1.00737.35 O ATOM 35838 C1* C 01725 142.169 80.559 155.076 1.00737.35 C ATOM 35839 N1 C 01725 140.739 80.572 154.707 1.00737.35 N ATOM 35840 C2 C 01725 139.944 81.662 155.108 1.00737.35 C ATOM 35841 O2 C 01725 140.465 82.586 155.757 1.00737.35 O ATOM 35842 N3 C 01725 138.633 81.679 154.780 1.00737.35 N ATOM 35843 C4 C 01725 138.107 80.670 154.082 1.00737.35 C ATOM 35844 N4 C 01725 136.806 80.732 153.782 1.00737.35 N ATOM 35845 C5 C 01725 138.886 79.554 153.661 1.00737.35 C ATOM 35846 C6 C 01725 140.183 79.545 153.991 1.00737.35 C ATOM 35847 P C 01726 142.859 77.047 158.242 1.00737.35 P ATOM 35848 O1P C 01726 143.916 76.397 159.061 1.00737.35 O ATOM 35849 O2P C 01726 141.779 76.218 157.648 1.00737.35 O ATOM 35850 O5* C 01726 142.178 78.189 159.119 1.00737.35 O ATOM 35851 C5* C 01726 142.971 79.142 159.823 1.00737.35 C ATOM 35852 C4* C 01726 142.098 80.204 160.450 1.00737.35 C ATOM 35853 O4* C 01726 141.423 80.958 159.410 1.00737.35 O ATOM 35854 C3* C 01726 140.965 79.705 161.333 1.00737.35 C ATOM 35855 O3* C 01726 141.430 79.405 162.646 1.00737.35 O ATOM 35856 C2* C 01726 140.006 80.890 161.323 1.00737.35 C ATOM 35857 O2* C 01726 140.377 81.914 162.224 1.00737.35 O ATOM 35858 C1* C 01726 140.154 81.390 159.883 1.00737.35 C ATOM 35859 N1 C 01726 139.103 80.883 158.974 1.00737.35 N ATOM 35860 C2 C 01726 137.892 81.590 158.879 1.00737.35 C ATOM 35861 O2 C 01726 137.738 82.623 159.553 1.00737.35 O ATOM 35862 N3 C 01726 136.923 81.131 158.055 1.00737.35 N ATOM 35863 C4 C 01726 137.121 80.020 157.345 1.00737.35 C ATOM 35864 N4 C 01726 136.132 79.605 156.547 1.00737.35 N ATOM 35865 C5 C 01726 138.339 79.282 157.420 1.00737.35 C ATOM 35866 C6 C 01726 139.293 79.746 158.238 1.00737.35 C ATOM 35867 P C 01727 140.599 78.392 163.574 1.00737.35 P ATOM 35868 O1P C 01727 141.388 78.181 164.815 1.00737.35 O ATOM 35869 O2P C 01727 140.197 77.218 162.755 1.00737.35 O ATOM 35870 O5* C 01727 139.284 79.207 163.952 1.00737.35 O ATOM 35871 C5* C 01727 139.359 80.384 164.756 1.00737.35 C ATOM 35872 C4* C 01727 137.998 81.029 164.879 1.00737.35 C ATOM 35873 O4* C 01727 137.556 81.492 163.578 1.00737.35 O ATOM 35874 C3* C 01727 136.871 80.126 165.353 1.00737.35 C ATOM 35875 O3* C 01727 136.869 80.016 166.774 1.00737.35 O ATOM 35876 C2* C 01727 135.636 80.853 164.835 1.00737.35 C ATOM 35877 O2* C 01727 135.234 81.927 165.662 1.00737.35 O ATOM 35878 C1* C 01727 136.141 81.395 163.493 1.00737.35 C ATOM 35879 N1 C 01727 135.788 80.545 162.339 1.00737.35 N ATOM 35880 C2 C 01727 134.553 80.751 161.700 1.00737.35 C ATOM 35881 O2 C 01727 133.795 81.641 162.119 1.00737.35 O ATOM 35882 N3 C 01727 134.219 79.974 160.642 1.00737.35 N ATOM 35883 C4 C 01727 135.058 79.026 160.218 1.00737.35 C ATOM 35884 N4 C 01727 134.684 78.286 159.172 1.00737.35 N ATOM 35885 C5 C 01727 136.316 78.796 160.846 1.00737.35 C ATOM 35886 C6 C 01727 136.637 79.569 161.892 1.00737.35 C ATOM 35887 P A 01728 136.321 78.675 167.469 1.00737.35 P ATOM 35888 O1P A 01728 136.611 78.757 168.924 1.00737.35 O ATOM 35889 O2P A 01728 136.826 77.517 166.686 1.00737.35 O ATOM 35890 O5* A 01728 134.744 78.754 167.266 1.00737.35 O ATOM 35891 C5* A 01728 133.948 79.657 168.033 1.00737.35 C ATOM 35892 C4* A 01728 132.488 79.514 167.669 1.00737.35 C ATOM 35893 O4* A 01728 132.282 79.950 166.297 1.00737.35 O ATOM 35894 C3* A 01728 131.930 78.100 167.700 1.00737.35 C ATOM 35895 O3* A 01728 131.551 77.729 169.022 1.00737.35 O ATOM 35896 C2* A 01728 130.731 78.205 166.763 1.00737.35 C ATOM 35897 O2* A 01728 129.587 78.755 167.386 1.00737.35 O ATOM 35898 C1* A 01728 131.260 79.171 165.699 1.00737.35 C ATOM 35899 N9 A 01728 131.813 78.502 164.522 1.00737.35 N ATOM 35900 C8 A 01728 133.110 78.103 164.301 1.00737.35 C ATOM 35901 N7 A 01728 133.295 77.527 163.138 1.00737.35 N ATOM 35902 C5 A 01728 132.039 77.549 162.549 1.00737.35 C ATOM 35903 C6 A 01728 131.567 77.090 161.308 1.00737.35 C ATOM 35904 N6 A 01728 132.341 76.496 160.395 1.00737.35 N ATOM 35905 N1 A 01728 130.258 77.265 161.028 1.00737.35 N ATOM 35906 C2 A 01728 129.483 77.860 161.942 1.00737.35 C ATOM 35907 N3 A 01728 129.807 78.335 163.143 1.00737.35 N ATOM 35908 C4 A 01728 131.115 78.145 163.390 1.00737.35 C ATOM 35909 P C 01729 131.561 76.179 169.450 1.00737.35 P ATOM 35910 O1P C 01729 131.372 76.106 170.921 1.00737.35 O ATOM 35911 O2P C 01729 132.756 75.544 168.834 1.00737.35 O ATOM 35912 O5* C 01729 130.267 75.577 168.742 1.00737.35 O ATOM 35913 C5* C 01729 128.960 75.915 169.199 1.00737.35 C ATOM 35914 C4* C 01729 127.909 75.300 168.303 1.00737.35 C ATOM 35915 O4* C 01729 128.018 75.871 166.973 1.00737.35 O ATOM 35916 C3* C 01729 128.025 73.801 168.076 1.00737.35 C ATOM 35917 O3* C 01729 127.416 73.070 169.136 1.00737.35 O ATOM 35918 C2* C 01729 127.285 73.618 166.756 1.00737.35 C ATOM 35919 O2* C 01729 125.879 73.577 166.906 1.00737.35 O ATOM 35920 C1* C 01729 127.689 74.889 166.003 1.00737.35 C ATOM 35921 N1 C 01729 128.847 74.698 165.105 1.00737.35 N ATOM 35922 C2 C 01729 128.618 74.278 163.784 1.00737.35 C ATOM 35923 O2 C 01729 127.453 74.081 163.402 1.00737.35 O ATOM 35924 N3 C 01729 129.675 74.098 162.958 1.00737.35 N ATOM 35925 C4 C 01729 130.916 74.319 163.399 1.00737.35 C ATOM 35926 N4 C 01729 131.925 74.127 162.548 1.00737.35 N ATOM 35927 C5 C 01729 131.175 74.746 164.734 1.00737.35 C ATOM 35928 C6 C 01729 130.123 74.921 165.545 1.00737.35 C ATOM 35929 P G 01730 127.942 71.591 169.493 1.00737.35 P ATOM 35930 O1P G 01730 127.270 71.154 170.744 1.00737.35 O ATOM 35931 O2P G 01730 129.426 71.608 169.424 1.00737.35 O ATOM 35932 O5* G 01730 127.404 70.694 168.290 1.00737.35 O ATOM 35933 C5* G 01730 126.022 70.355 168.190 1.00737.35 C ATOM 35934 C4* G 01730 125.755 69.591 166.912 1.00737.35 C ATOM 35935 O4* G 01730 126.027 70.448 165.773 1.00737.35 O ATOM 35936 C3* G 01730 126.624 68.365 166.675 1.00737.35 C ATOM 35937 O3* G 01730 126.101 67.226 167.355 1.00737.35 O ATOM 35938 C2* G 01730 126.551 68.210 165.160 1.00737.35 C ATOM 35939 O2* G 01730 125.369 67.568 164.724 1.00737.35 O ATOM 35940 C1* G 01730 126.544 69.671 164.703 1.00737.35 C ATOM 35941 N9 G 01730 127.869 70.180 164.356 1.00737.35 N ATOM 35942 C8 G 01730 128.746 70.850 165.177 1.00737.35 C ATOM 35943 N7 G 01730 129.857 71.182 164.582 1.00737.35 N ATOM 35944 C5 G 01730 129.709 70.703 163.285 1.00737.35 C ATOM 35945 C6 G 01730 130.593 70.766 162.177 1.00737.35 C ATOM 35946 O6 G 01730 131.721 71.270 162.116 1.00737.35 O ATOM 35947 N1 G 01730 130.047 70.152 161.055 1.00737.35 N ATOM 35948 C2 G 01730 128.811 69.558 161.001 1.00737.35 C ATOM 35949 N2 G 01730 128.464 69.019 159.823 1.00737.35 N ATOM 35950 N3 G 01730 127.976 69.493 162.027 1.00737.35 N ATOM 35951 C4 G 01730 128.488 70.082 163.131 1.00737.35 C ATOM 35952 P C 01731 127.083 66.023 167.774 1.00737.35 P ATOM 35953 O1P C 01731 126.339 65.115 168.683 1.00737.35 O ATOM 35954 O2P C 01731 128.367 66.618 168.224 1.00737.35 O ATOM 35955 O5* C 01731 127.352 65.252 166.405 1.00737.35 O ATOM 35956 C5* C 01731 126.298 64.565 165.731 1.00737.35 C ATOM 35957 C4* C 01731 126.707 64.229 164.315 1.00737.35 C ATOM 35958 O4* C 01731 126.998 65.461 163.599 1.00737.35 O ATOM 35959 C3* C 01731 127.976 63.403 164.162 1.00737.35 C ATOM 35960 O3* C 01731 127.713 62.008 164.299 1.00737.35 O ATOM 35961 C2* C 01731 128.420 63.757 162.747 1.00737.35 C ATOM 35962 O2* C 01731 127.713 63.050 161.747 1.00737.35 O ATOM 35963 C1* C 01731 128.063 65.243 162.685 1.00737.35 C ATOM 35964 N1 C 01731 129.191 66.123 163.048 1.00737.35 N ATOM 35965 C2 C 01731 130.088 66.530 162.044 1.00737.35 C ATOM 35966 O2 C 01731 129.905 66.147 160.875 1.00737.35 O ATOM 35967 N3 C 01731 131.129 67.330 162.374 1.00737.35 N ATOM 35968 C4 C 01731 131.296 67.723 163.639 1.00737.35 C ATOM 35969 N4 C 01731 132.339 68.509 163.916 1.00737.35 N ATOM 35970 C5 C 01731 130.403 67.329 164.676 1.00737.35 C ATOM 35971 C6 C 01731 129.376 66.538 164.340 1.00737.35 C ATOM 35972 P U 01732 128.930 60.995 164.597 1.00737.35 P ATOM 35973 O1P U 01732 128.408 59.607 164.502 1.00737.35 O ATOM 35974 O2P U 01732 129.586 61.447 165.852 1.00737.35 O ATOM 35975 O5* U 01732 129.926 61.237 163.378 1.00737.35 O ATOM 35976 C5* U 01732 131.341 61.177 163.554 1.00737.35 C ATOM 35977 C4* U 01732 131.950 62.538 163.306 1.00737.35 C ATOM 35978 O4* U 01732 131.391 63.482 164.257 1.00737.35 O ATOM 35979 C3* U 01732 133.453 62.638 163.509 1.00737.35 C ATOM 35980 O3* U 01732 134.146 62.261 162.322 1.00737.35 O ATOM 35981 C2* U 01732 133.639 64.118 163.823 1.00737.35 C ATOM 35982 O2* U 01732 133.657 64.932 162.666 1.00737.35 O ATOM 35983 C1* U 01732 132.385 64.417 164.647 1.00737.35 C ATOM 35984 N1 U 01732 132.593 64.307 166.101 1.00737.35 N ATOM 35985 C2 U 01732 133.028 65.435 166.780 1.00737.35 C ATOM 35986 O2 U 01732 133.246 66.505 166.231 1.00737.35 O ATOM 35987 N3 U 01732 133.204 65.267 168.131 1.00737.35 N ATOM 35988 C4 U 01732 132.994 64.114 168.862 1.00737.35 C ATOM 35989 O4 U 01732 133.196 64.121 170.077 1.00737.35 O ATOM 35990 C5 U 01732 132.545 62.994 168.093 1.00737.35 C ATOM 35991 C6 U 01732 132.365 63.124 166.774 1.00737.35 C ATOM 35992 P U 01733 135.695 61.832 162.397 1.00737.35 P ATOM 35993 O1P U 01733 136.149 61.599 161.003 1.00737.35 O ATOM 35994 O2P U 01733 135.836 60.749 163.405 1.00737.35 O ATOM 35995 O5* U 01733 136.429 63.133 162.956 1.00737.35 O ATOM 35996 C5* U 01733 137.829 63.324 162.772 1.00737.35 C ATOM 35997 C4* U 01733 138.521 63.430 164.111 1.00737.35 C ATOM 35998 O4* U 01733 138.242 62.229 164.880 1.00737.35 O ATOM 35999 C3* U 01733 140.040 63.511 164.055 1.00737.35 C ATOM 36000 O3* U 01733 140.471 64.860 163.886 1.00737.35 O ATOM 36001 C2* U 01733 140.443 62.947 165.413 1.00737.35 C ATOM 36002 O2* U 01733 140.338 63.892 166.460 1.00737.35 O ATOM 36003 C1* U 01733 139.401 61.845 165.605 1.00737.35 C ATOM 36004 N1 U 01733 139.838 60.526 165.115 1.00737.35 N ATOM 36005 C2 U 01733 140.549 59.711 165.985 1.00737.35 C ATOM 36006 O2 U 01733 140.829 60.038 167.130 1.00737.35 O ATOM 36007 N3 U 01733 140.925 58.496 165.466 1.00737.35 N ATOM 36008 C4 U 01733 140.670 58.020 164.196 1.00737.35 C ATOM 36009 O4 U 01733 141.068 56.900 163.879 1.00737.35 O ATOM 36010 C5 U 01733 139.935 58.916 163.358 1.00737.35 C ATOM 36011 C6 U 01733 139.555 60.105 163.831 1.00737.35 C ATOM 36012 P C 01734 141.982 65.165 163.421 1.00737.35 P ATOM 36013 O1P C 01734 142.892 64.433 164.339 1.00737.35 O ATOM 36014 O2P C 01734 142.126 66.635 163.268 1.00737.35 O ATOM 36015 O5* C 01734 142.095 64.489 161.980 1.00737.35 O ATOM 36016 C5* C 01734 141.691 65.185 160.805 1.00737.35 C ATOM 36017 C4* C 01734 142.238 64.498 159.575 1.00737.35 C ATOM 36018 O4* C 01734 141.745 63.133 159.533 1.00737.35 O ATOM 36019 C3* C 01734 141.802 65.096 158.247 1.00737.35 C ATOM 36020 O3* C 01734 142.643 66.183 157.870 1.00737.35 O ATOM 36021 C2* C 01734 141.953 63.915 157.294 1.00737.35 C ATOM 36022 O2* C 01734 143.286 63.711 156.869 1.00737.35 O ATOM 36023 C1* C 01734 141.512 62.750 158.186 1.00737.35 C ATOM 36024 N1 C 01734 140.085 62.398 158.030 1.00737.35 N ATOM 36025 C2 C 01734 139.720 61.444 157.066 1.00737.35 C ATOM 36026 O2 C 01734 140.605 60.917 156.370 1.00737.35 O ATOM 36027 N3 C 01734 138.416 61.123 156.915 1.00737.35 N ATOM 36028 C4 C 01734 137.491 61.709 157.679 1.00737.35 C ATOM 36029 N4 C 01734 136.216 61.360 157.496 1.00737.35 N ATOM 36030 C5 C 01734 137.832 62.682 158.665 1.00737.35 C ATOM 36031 C6 C 01734 139.127 62.993 158.806 1.00737.35 C ATOM 36032 P G 01735 141.988 67.545 157.319 1.00737.35 P ATOM 36033 O1P G 01735 143.050 68.327 156.638 1.00737.35 O ATOM 36034 O2P G 01735 141.232 68.155 158.442 1.00737.35 O ATOM 36035 O5* G 01735 140.945 67.054 156.219 1.00737.35 O ATOM 36036 C5* G 01735 139.902 67.912 155.761 1.00737.35 C ATOM 36037 C4* G 01735 138.635 67.119 155.546 1.00737.35 C ATOM 36038 O4* G 01735 138.305 66.407 156.767 1.00737.35 O ATOM 36039 C3* G 01735 137.395 67.944 155.238 1.00737.35 C ATOM 36040 O3* G 01735 137.303 68.238 153.846 1.00737.35 O ATOM 36041 C2* G 01735 136.271 67.024 155.704 1.00737.35 C ATOM 36042 O2* G 01735 135.952 66.013 154.765 1.00737.35 O ATOM 36043 C1* G 01735 136.899 66.394 156.950 1.00737.35 C ATOM 36044 N9 G 01735 136.587 67.115 158.182 1.00737.35 N ATOM 36045 C8 G 01735 137.358 68.070 158.805 1.00737.35 C ATOM 36046 N7 G 01735 136.813 68.538 159.893 1.00737.35 N ATOM 36047 C5 G 01735 135.608 67.856 159.998 1.00737.35 C ATOM 36048 C6 G 01735 134.586 67.942 160.978 1.00737.35 C ATOM 36049 O6 G 01735 134.539 68.664 161.982 1.00737.35 O ATOM 36050 N1 G 01735 133.538 67.074 160.698 1.00737.35 N ATOM 36051 C2 G 01735 133.477 66.228 159.619 1.00737.35 C ATOM 36052 N2 G 01735 132.376 65.465 159.523 1.00737.35 N ATOM 36053 N3 G 01735 134.423 66.139 158.699 1.00737.35 N ATOM 36054 C4 G 01735 135.453 66.974 158.950 1.00737.35 C ATOM 36055 P C 01736 136.434 69.497 153.349 1.00737.35 P ATOM 36056 O1P C 01736 136.602 69.624 151.878 1.00737.35 O ATOM 36057 O2P C 01736 136.768 70.649 154.227 1.00737.35 O ATOM 36058 O5* C 01736 134.930 69.067 153.650 1.00737.35 O ATOM 36059 C5* C 01736 134.322 67.985 152.949 1.00737.35 C ATOM 36060 C4* C 01736 132.925 67.734 153.471 1.00737.35 C ATOM 36061 O4* C 01736 132.992 67.313 154.859 1.00737.35 O ATOM 36062 C3* C 01736 131.999 68.938 153.492 1.00737.35 C ATOM 36063 O3* C 01736 131.392 69.145 152.221 1.00737.35 O ATOM 36064 C2* C 01736 130.978 68.541 154.555 1.00737.35 C ATOM 36065 O2* C 01736 129.977 67.670 154.066 1.00737.35 O ATOM 36066 C1* C 01736 131.862 67.804 155.563 1.00737.35 C ATOM 36067 N1 C 01736 132.327 68.659 156.676 1.00737.35 N ATOM 36068 C2 C 01736 131.509 68.799 157.812 1.00737.35 C ATOM 36069 O2 C 01736 130.420 68.203 157.855 1.00737.35 O ATOM 36070 N3 C 01736 131.929 69.582 158.833 1.00737.35 N ATOM 36071 C4 C 01736 133.106 70.210 158.754 1.00737.35 C ATOM 36072 N4 C 01736 133.478 70.970 159.787 1.00737.35 N ATOM 36073 C5 C 01736 133.954 70.085 157.616 1.00737.35 C ATOM 36074 C6 C 01736 133.530 69.307 156.611 1.00737.35 C ATOM 36075 P G 01737 130.892 70.614 151.802 1.00737.35 P ATOM 36076 O1P G 01737 130.408 70.558 150.399 1.00737.35 O ATOM 36077 O2P G 01737 131.962 71.576 152.169 1.00737.35 O ATOM 36078 O5* G 01737 129.644 70.879 152.758 1.00737.35 O ATOM 36079 C5* G 01737 128.403 70.208 152.544 1.00737.35 C ATOM 36080 C4* G 01737 127.391 70.625 153.587 1.00737.35 C ATOM 36081 O4* G 01737 127.816 70.157 154.895 1.00737.35 O ATOM 36082 C3* G 01737 127.205 72.122 153.772 1.00737.35 C ATOM 36083 O3* G 01737 126.307 72.652 152.800 1.00737.35 O ATOM 36084 C2* G 01737 126.635 72.204 155.181 1.00737.35 C ATOM 36085 O2* G 01737 125.247 71.940 155.239 1.00737.35 O ATOM 36086 C1* G 01737 127.406 71.083 155.887 1.00737.35 C ATOM 36087 N9 G 01737 128.590 71.555 156.605 1.00737.35 N ATOM 36088 C8 G 01737 129.886 71.590 156.146 1.00737.35 C ATOM 36089 N7 G 01737 130.728 72.066 157.021 1.00737.35 N ATOM 36090 C5 G 01737 129.943 72.365 158.127 1.00737.35 C ATOM 36091 C6 G 01737 130.300 72.913 159.387 1.00737.35 C ATOM 36092 O6 G 01737 131.418 73.251 159.792 1.00737.35 O ATOM 36093 N1 G 01737 129.192 73.053 160.215 1.00737.35 N ATOM 36094 C2 G 01737 127.905 72.711 159.877 1.00737.35 C ATOM 36095 N2 G 01737 126.971 72.922 160.818 1.00737.35 N ATOM 36096 N3 G 01737 127.558 72.200 158.708 1.00737.35 N ATOM 36097 C4 G 01737 128.620 72.055 157.887 1.00737.35 C ATOM 36098 P U 01738 126.432 74.193 152.358 1.00737.35 P ATOM 36099 O1P U 01738 125.454 74.441 151.266 1.00737.35 O ATOM 36100 O2P U 01738 127.871 74.486 152.133 1.00737.35 O ATOM 36101 O5* U 01738 125.959 74.999 153.650 1.00737.35 O ATOM 36102 C5* U 01738 124.593 74.992 154.058 1.00737.35 C ATOM 36103 C4* U 01738 124.411 75.821 155.309 1.00737.35 C ATOM 36104 O4* U 01738 125.117 75.197 156.414 1.00737.35 O ATOM 36105 C3* U 01738 124.972 77.233 155.262 1.00737.35 C ATOM 36106 O3* U 01738 124.065 78.129 154.624 1.00737.35 O ATOM 36107 C2* U 01738 125.152 77.556 156.741 1.00737.35 C ATOM 36108 O2* U 01738 123.953 77.956 157.374 1.00737.35 O ATOM 36109 C1* U 01738 125.604 76.201 157.294 1.00737.35 C ATOM 36110 N1 U 01738 127.068 76.072 157.400 1.00737.35 N ATOM 36111 C2 U 01738 127.670 76.491 158.579 1.00737.35 C ATOM 36112 O2 U 01738 127.043 76.953 159.522 1.00737.35 O ATOM 36113 N3 U 01738 129.036 76.352 158.613 1.00737.35 N ATOM 36114 C4 U 01738 129.847 75.847 157.617 1.00737.35 C ATOM 36115 O4 U 01738 131.064 75.787 157.802 1.00737.35 O ATOM 36116 C5 U 01738 129.154 75.433 156.436 1.00737.35 C ATOM 36117 C6 U 01738 127.824 75.556 156.369 1.00737.35 C ATOM 36118 P G 01739 124.626 79.463 153.925 1.00737.35 P ATOM 36119 O1P G 01739 123.494 80.130 153.229 1.00737.35 O ATOM 36120 O2P G 01739 125.842 79.097 153.154 1.00737.35 O ATOM 36121 O5* G 01739 125.074 80.378 155.148 1.00737.35 O ATOM 36122 C5* G 01739 124.107 80.961 156.019 1.00737.35 C ATOM 36123 C4* G 01739 124.784 81.666 157.171 1.00737.35 C ATOM 36124 O4* G 01739 125.479 80.696 157.998 1.00737.35 O ATOM 36125 C3* G 01739 125.862 82.673 156.801 1.00737.35 C ATOM 36126 O3* G 01739 125.297 83.932 156.454 1.00737.35 O ATOM 36127 C2* G 01739 126.682 82.749 158.085 1.00737.35 C ATOM 36128 O2* G 01739 126.107 83.592 159.063 1.00737.35 O ATOM 36129 C1* G 01739 126.636 81.295 158.562 1.00737.35 C ATOM 36130 N9 G 01739 127.810 80.518 158.166 1.00737.35 N ATOM 36131 C8 G 01739 127.949 79.722 157.053 1.00737.35 C ATOM 36132 N7 G 01739 129.122 79.156 156.972 1.00737.35 N ATOM 36133 C5 G 01739 129.800 79.601 158.099 1.00737.35 C ATOM 36134 C6 G 01739 131.117 79.325 158.551 1.00737.35 C ATOM 36135 O6 G 01739 131.978 78.607 158.029 1.00737.35 O ATOM 36136 N1 G 01739 131.397 79.987 159.741 1.00737.35 N ATOM 36137 C2 G 01739 130.528 80.809 160.413 1.00737.35 C ATOM 36138 N2 G 01739 130.985 81.356 161.549 1.00737.35 N ATOM 36139 N3 G 01739 129.297 81.074 160.004 1.00737.35 N ATOM 36140 C4 G 01739 129.002 80.441 158.846 1.00737.35 C ATOM 36141 P G 01740 126.135 84.958 155.540 1.00737.35 P ATOM 36142 O1P G 01740 125.241 86.105 155.233 1.00737.35 O ATOM 36143 O2P G 01740 126.759 84.200 154.424 1.00737.35 O ATOM 36144 O5* G 01740 127.293 85.472 156.503 1.00737.35 O ATOM 36145 C5* G 01740 126.987 86.245 157.663 1.00737.35 C ATOM 36146 C4* G 01740 128.239 86.494 158.478 1.00737.35 C ATOM 36147 O4* G 01740 128.759 85.233 158.974 1.00737.35 O ATOM 36148 C3* G 01740 129.410 87.106 157.730 1.00737.35 C ATOM 36149 O3* G 01740 129.276 88.521 157.639 1.00737.35 O ATOM 36150 C2* G 01740 130.594 86.702 158.600 1.00737.35 C ATOM 36151 O2* G 01740 130.767 87.536 159.728 1.00737.35 O ATOM 36152 C1* G 01740 130.174 85.300 159.054 1.00737.35 C ATOM 36153 N9 G 01740 130.744 84.226 158.246 1.00737.35 N ATOM 36154 C8 G 01740 130.151 83.568 157.192 1.00737.35 C ATOM 36155 N7 G 01740 130.916 82.652 156.664 1.00737.35 N ATOM 36156 C5 G 01740 132.084 82.706 157.411 1.00737.35 C ATOM 36157 C6 G 01740 133.280 81.946 157.308 1.00737.35 C ATOM 36158 O6 G 01740 133.556 81.044 156.504 1.00737.35 O ATOM 36159 N1 G 01740 134.213 82.328 158.266 1.00737.35 N ATOM 36160 C2 G 01740 134.024 83.312 159.205 1.00737.35 C ATOM 36161 N2 G 01740 135.047 83.532 160.043 1.00737.35 N ATOM 36162 N3 G 01740 132.917 84.025 159.313 1.00737.35 N ATOM 36163 C4 G 01740 131.995 83.671 158.392 1.00737.35 C ATOM 36164 P G 01741 130.052 89.326 156.481 1.00737.35 P ATOM 36165 O1P G 01741 129.581 90.732 156.531 1.00737.35 O ATOM 36166 O2P G 01741 129.936 88.562 155.212 1.00737.35 O ATOM 36167 O5* G 01741 131.574 89.292 156.947 1.00737.35 O ATOM 36168 C5* G 01741 131.993 89.974 158.126 1.00737.35 C ATOM 36169 C4* G 01741 133.450 89.690 158.413 1.00737.35 C ATOM 36170 O4* G 01741 133.622 88.278 158.699 1.00737.35 O ATOM 36171 C3* G 01741 134.419 89.959 157.271 1.00737.35 C ATOM 36172 O3* G 01741 134.786 91.335 157.228 1.00737.35 O ATOM 36173 C2* G 01741 135.597 89.062 157.629 1.00737.35 C ATOM 36174 O2* G 01741 136.452 89.630 158.602 1.00737.35 O ATOM 36175 C1* G 01741 134.885 87.843 158.221 1.00737.35 C ATOM 36176 N9 G 01741 134.671 86.767 157.254 1.00737.35 N ATOM 36177 C8 G 01741 133.539 86.525 156.510 1.00737.35 C ATOM 36178 N7 G 01741 133.649 85.483 155.732 1.00737.35 N ATOM 36179 C5 G 01741 134.933 85.006 155.972 1.00737.35 C ATOM 36180 C6 G 01741 135.620 83.895 155.417 1.00737.35 C ATOM 36181 O6 G 01741 135.218 83.082 154.575 1.00737.35 O ATOM 36182 N1 G 01741 136.902 83.774 155.940 1.00737.35 N ATOM 36183 C2 G 01741 137.456 84.613 156.878 1.00737.35 C ATOM 36184 N2 G 01741 138.711 84.329 157.256 1.00737.35 N ATOM 36185 N3 G 01741 136.825 85.650 157.404 1.00737.35 N ATOM 36186 C4 G 01741 135.576 85.787 156.910 1.00737.35 C ATOM 36187 P G 01742 135.308 91.979 155.850 1.00737.35 P ATOM 36188 O1P G 01742 135.467 93.438 156.078 1.00737.35 O ATOM 36189 O2P G 01742 134.437 91.503 154.744 1.00737.35 O ATOM 36190 O5* G 01742 136.756 91.343 155.652 1.00737.35 O ATOM 36191 C5* G 01742 137.807 91.619 156.576 1.00737.35 C ATOM 36192 C4* G 01742 139.013 90.761 156.275 1.00737.35 C ATOM 36193 O4* G 01742 138.666 89.361 156.453 1.00737.35 O ATOM 36194 C3* G 01742 139.543 90.836 154.851 1.00737.35 C ATOM 36195 O3* G 01742 140.415 91.952 154.694 1.00737.35 O ATOM 36196 C2* G 01742 140.279 89.508 154.709 1.00737.35 C ATOM 36197 O2* G 01742 141.572 89.524 155.278 1.00737.35 O ATOM 36198 C1* G 01742 139.374 88.570 155.512 1.00737.35 C ATOM 36199 N9 G 01742 138.404 87.844 154.693 1.00737.35 N ATOM 36200 C8 G 01742 137.097 88.192 154.443 1.00737.35 C ATOM 36201 N7 G 01742 136.476 87.338 153.675 1.00737.35 N ATOM 36202 C5 G 01742 137.431 86.368 153.398 1.00737.35 C ATOM 36203 C6 G 01742 137.341 85.189 152.610 1.00737.35 C ATOM 36204 O6 G 01742 136.368 84.750 151.982 1.00737.35 O ATOM 36205 N1 G 01742 138.545 84.493 152.596 1.00737.35 N ATOM 36206 C2 G 01742 139.688 84.876 153.252 1.00737.35 C ATOM 36207 N2 G 01742 140.751 84.070 153.114 1.00737.35 N ATOM 36208 N3 G 01742 139.784 85.971 153.989 1.00737.35 N ATOM 36209 C4 G 01742 138.626 86.666 154.018 1.00737.35 C ATOM 36210 P C 01743 140.706 92.540 153.226 1.00737.35 P ATOM 36211 O1P C 01743 141.325 93.878 153.405 1.00737.35 O ATOM 36212 O2P C 01743 139.475 92.408 152.403 1.00737.35 O ATOM 36213 O5* C 01743 141.809 91.554 152.631 1.00737.35 O ATOM 36214 C5* C 01743 143.136 91.538 153.153 1.00737.35 C ATOM 36215 C4* C 01743 143.970 90.498 152.443 1.00737.35 C ATOM 36216 O4* C 01743 143.434 89.178 152.722 1.00737.35 O ATOM 36217 C3* C 01743 143.984 90.587 150.925 1.00737.35 C ATOM 36218 O3* C 01743 144.951 91.529 150.475 1.00737.35 O ATOM 36219 C2* C 01743 144.341 89.161 150.523 1.00737.35 C ATOM 36220 O2* C 01743 145.726 88.889 150.602 1.00737.35 O ATOM 36221 C1* C 01743 143.590 88.349 151.580 1.00737.35 C ATOM 36222 N1 C 01743 142.255 87.890 151.142 1.00737.35 N ATOM 36223 C2 C 01743 142.147 86.666 150.458 1.00737.35 C ATOM 36224 O2 C 01743 143.174 85.998 150.241 1.00737.35 O ATOM 36225 N3 C 01743 140.929 86.242 150.053 1.00737.35 N ATOM 36226 C4 C 01743 139.846 86.983 150.303 1.00737.35 C ATOM 36227 N4 C 01743 138.665 86.522 149.885 1.00737.35 N ATOM 36228 C5 C 01743 139.925 88.226 150.992 1.00737.35 C ATOM 36229 C6 C 01743 141.136 88.639 151.390 1.00737.35 C ATOM 36230 P G 01744 144.703 92.338 149.108 1.00737.35 P ATOM 36231 O1P G 01744 145.782 93.354 148.998 1.00737.35 O ATOM 36232 O2P G 01744 143.284 92.770 149.063 1.00737.35 O ATOM 36233 O5* G 01744 144.926 91.244 147.969 1.00737.35 O ATOM 36234 C5* G 01744 146.238 90.804 147.621 1.00737.35 C ATOM 36235 C4* G 01744 146.168 89.725 146.565 1.00737.35 C ATOM 36236 O4* G 01744 145.515 88.549 147.115 1.00737.35 O ATOM 36237 C3* G 01744 145.356 90.059 145.327 1.00737.35 C ATOM 36238 O3* G 01744 146.122 90.803 144.386 1.00737.35 O ATOM 36239 C2* G 01744 144.993 88.676 144.796 1.00737.35 C ATOM 36240 O2* G 01744 146.036 88.072 144.058 1.00737.35 O ATOM 36241 C1* G 01744 144.765 87.904 146.098 1.00737.35 C ATOM 36242 N9 G 01744 143.361 87.866 146.507 1.00737.35 N ATOM 36243 C8 G 01744 142.724 88.716 147.380 1.00737.35 C ATOM 36244 N7 G 01744 141.461 88.431 147.542 1.00737.35 N ATOM 36245 C5 G 01744 141.248 87.327 146.728 1.00737.35 C ATOM 36246 C6 G 01744 140.071 86.575 146.491 1.00737.35 C ATOM 36247 O6 G 01744 138.942 86.738 146.966 1.00737.35 O ATOM 36248 N1 G 01744 140.300 85.537 145.592 1.00737.35 N ATOM 36249 C2 G 01744 141.507 85.256 144.999 1.00737.35 C ATOM 36250 N2 G 01744 141.526 84.210 144.162 1.00737.35 N ATOM 36251 N3 G 01744 142.613 85.950 145.215 1.00737.35 N ATOM 36252 C4 G 01744 142.412 86.963 146.082 1.00737.35 C ATOM 36253 P C 01745 145.389 91.832 143.392 1.00737.35 P ATOM 36254 O1P C 01745 146.438 92.438 142.531 1.00737.35 O ATOM 36255 O2P C 01745 144.501 92.712 144.194 1.00737.35 O ATOM 36256 O5* C 01745 144.478 90.898 142.476 1.00737.35 O ATOM 36257 C5* C 01745 143.525 91.456 141.573 1.00737.35 C ATOM 36258 C4* C 01745 143.402 90.592 140.338 1.00737.35 C ATOM 36259 O4* C 01745 144.683 90.561 139.655 1.00737.35 O ATOM 36260 C3* C 01745 143.064 89.130 140.582 1.00737.35 C ATOM 36261 O3* C 01745 141.655 88.946 140.690 1.00737.35 O ATOM 36262 C2* C 01745 143.624 88.456 139.336 1.00737.35 C ATOM 36263 O2* C 01745 142.763 88.546 138.218 1.00737.35 O ATOM 36264 C1* C 01745 144.888 89.281 139.082 1.00737.35 C ATOM 36265 N1 C 01745 146.113 88.687 139.661 1.00737.35 N ATOM 36266 C2 C 01745 146.826 87.736 138.913 1.00737.35 C ATOM 36267 O2 C 01745 146.412 87.415 137.785 1.00737.35 O ATOM 36268 N3 C 01745 147.947 87.190 139.437 1.00737.35 N ATOM 36269 C4 C 01745 148.364 87.558 140.650 1.00737.35 C ATOM 36270 N4 C 01745 149.477 86.993 141.128 1.00737.35 N ATOM 36271 C5 C 01745 147.660 88.520 141.431 1.00737.35 C ATOM 36272 C6 C 01745 146.552 89.054 140.905 1.00737.35 C ATOM 36273 P A 01746 141.064 87.817 141.674 1.00737.35 P ATOM 36274 O1P A 01746 139.585 87.865 141.563 1.00737.35 O ATOM 36275 O2P A 01746 141.704 87.974 143.004 1.00737.35 O ATOM 36276 O5* A 01746 141.564 86.441 141.042 1.00737.35 O ATOM 36277 C5* A 01746 141.234 86.083 139.699 1.00737.35 C ATOM 36278 C4* A 01746 142.116 84.948 139.227 1.00737.35 C ATOM 36279 O4* A 01746 143.505 85.364 139.332 1.00737.35 O ATOM 36280 C3* A 01746 142.035 83.667 140.046 1.00737.35 C ATOM 36281 O3* A 01746 140.986 82.831 139.565 1.00737.35 O ATOM 36282 C2* A 01746 143.398 83.032 139.790 1.00737.35 C ATOM 36283 O2* A 01746 143.465 82.332 138.565 1.00737.35 O ATOM 36284 C1* A 01746 144.306 84.265 139.730 1.00737.35 C ATOM 36285 N9 A 01746 144.938 84.596 141.008 1.00737.35 N ATOM 36286 C8 A 01746 144.355 85.152 142.121 1.00737.35 C ATOM 36287 N7 A 01746 145.185 85.332 143.119 1.00737.35 N ATOM 36288 C5 A 01746 146.397 84.863 142.634 1.00737.35 C ATOM 36289 C6 A 01746 147.677 84.779 143.209 1.00737.35 C ATOM 36290 N6 A 01746 147.959 85.180 144.450 1.00737.35 N ATOM 36291 N1 A 01746 148.671 84.261 142.456 1.00737.35 N ATOM 36292 C2 A 01746 148.388 83.860 141.211 1.00737.35 C ATOM 36293 N3 A 01746 147.228 83.889 140.559 1.00737.35 N ATOM 36294 C4 A 01746 146.260 84.407 141.335 1.00737.35 C ATOM 36295 P G 01747 139.826 82.332 140.569 1.00737.35 P ATOM 36296 O1P G 01747 138.986 81.366 139.817 1.00737.35 O ATOM 36297 O2P G 01747 139.196 83.528 141.182 1.00737.35 O ATOM 36298 O5* G 01747 140.591 81.526 141.717 1.00737.35 O ATOM 36299 C5* G 01747 141.733 80.724 141.426 1.00737.35 C ATOM 36300 C4* G 01747 142.248 80.073 142.689 1.00737.35 C ATOM 36301 O4* G 01747 142.401 81.094 143.710 1.00737.35 O ATOM 36302 C3* G 01747 141.334 79.036 143.321 1.00737.35 C ATOM 36303 O3* G 01747 141.581 77.754 142.744 1.00737.35 O ATOM 36304 C2* G 01747 141.754 79.071 144.786 1.00737.35 C ATOM 36305 O2* G 01747 142.897 78.283 145.054 1.00737.35 O ATOM 36306 C1* G 01747 142.083 80.554 144.980 1.00737.35 C ATOM 36307 N9 G 01747 140.999 81.343 145.560 1.00737.35 N ATOM 36308 C8 G 01747 139.723 81.497 145.070 1.00737.35 C ATOM 36309 N7 G 01747 138.978 82.266 145.815 1.00737.35 N ATOM 36310 C5 G 01747 139.809 82.643 146.861 1.00737.35 C ATOM 36311 C6 G 01747 139.556 83.475 147.981 1.00737.35 C ATOM 36312 O6 G 01747 138.511 84.066 148.286 1.00737.35 O ATOM 36313 N1 G 01747 140.680 83.594 148.794 1.00737.35 N ATOM 36314 C2 G 01747 141.890 82.992 148.561 1.00737.35 C ATOM 36315 N2 G 01747 142.854 83.230 149.463 1.00737.35 N ATOM 36316 N3 G 01747 142.139 82.211 147.522 1.00737.35 N ATOM 36317 C4 G 01747 141.061 82.082 146.718 1.00737.35 C ATOM 36318 P U 01748 140.477 76.588 142.862 1.00737.35 P ATOM 36319 O1P U 01748 140.193 76.119 141.482 1.00737.35 O ATOM 36320 O2P U 01748 139.360 77.055 143.722 1.00737.35 O ATOM 36321 O5* U 01748 141.232 75.412 143.631 1.00737.35 O ATOM 36322 C5* U 01748 142.575 75.055 143.304 1.00737.35 C ATOM 36323 C4* U 01748 142.752 73.557 143.380 1.00737.35 C ATOM 36324 O4* U 01748 141.839 72.925 142.440 1.00737.35 O ATOM 36325 C3* U 01748 144.126 73.034 142.981 1.00737.35 C ATOM 36326 O3* U 01748 145.021 73.050 144.091 1.00737.35 O ATOM 36327 C2* U 01748 143.816 71.609 142.538 1.00737.35 C ATOM 36328 O2* U 01748 143.690 70.705 143.620 1.00737.35 O ATOM 36329 C1* U 01748 142.459 71.791 141.855 1.00737.35 C ATOM 36330 N1 U 01748 142.552 72.001 140.399 1.00737.35 N ATOM 36331 C2 U 01748 142.723 70.882 139.592 1.00737.35 C ATOM 36332 O2 U 01748 142.801 69.746 140.032 1.00737.35 O ATOM 36333 N3 U 01748 142.798 71.147 138.247 1.00737.35 N ATOM 36334 C4 U 01748 142.726 72.381 137.634 1.00737.35 C ATOM 36335 O4 U 01748 142.809 72.454 136.407 1.00737.35 O ATOM 36336 C5 U 01748 142.554 73.483 138.530 1.00737.35 C ATOM 36337 C6 U 01748 142.475 73.263 139.846 1.00737.35 C ATOM 36338 P G 01749 146.612 73.026 143.836 1.00737.35 P ATOM 36339 O1P G 01749 146.895 71.972 142.826 1.00737.35 O ATOM 36340 O2P G 01749 147.288 72.976 145.158 1.00737.35 O ATOM 36341 O5* G 01749 146.921 74.439 143.171 1.00737.35 O ATOM 36342 C5* G 01749 146.638 75.650 143.867 1.00737.35 C ATOM 36343 C4* G 01749 145.868 76.595 142.976 1.00737.35 C ATOM 36344 O4* G 01749 145.382 77.708 143.768 1.00737.35 O ATOM 36345 C3* G 01749 146.651 77.254 141.852 1.00737.35 C ATOM 36346 O3* G 01749 146.735 76.394 140.717 1.00737.35 O ATOM 36347 C2* G 01749 145.809 78.493 141.560 1.00737.35 C ATOM 36348 O2* G 01749 144.705 78.227 140.719 1.00737.35 O ATOM 36349 C1* G 01749 145.310 78.869 142.960 1.00737.35 C ATOM 36350 N9 G 01749 146.045 79.944 143.627 1.00737.35 N ATOM 36351 C8 G 01749 147.046 80.728 143.104 1.00737.35 C ATOM 36352 N7 G 01749 147.484 81.630 143.942 1.00737.35 N ATOM 36353 C5 G 01749 146.728 81.425 145.089 1.00737.35 C ATOM 36354 C6 G 01749 146.750 82.105 146.336 1.00737.35 C ATOM 36355 O6 G 01749 147.452 83.060 146.681 1.00737.35 O ATOM 36356 N1 G 01749 145.827 81.568 147.226 1.00737.35 N ATOM 36357 C2 G 01749 144.986 80.517 146.956 1.00737.35 C ATOM 36358 N2 G 01749 144.169 80.139 147.948 1.00737.35 N ATOM 36359 N3 G 01749 144.953 79.880 145.797 1.00737.35 N ATOM 36360 C4 G 01749 145.844 80.384 144.916 1.00737.35 C ATOM 36361 P A 01750 147.828 76.685 139.572 1.00737.35 P ATOM 36362 O1P A 01750 147.682 78.105 139.161 1.00737.35 O ATOM 36363 O2P A 01750 147.711 75.613 138.551 1.00737.35 O ATOM 36364 O5* A 01750 149.230 76.514 140.308 1.00737.35 O ATOM 36365 C5* A 01750 150.395 77.188 139.831 1.00737.35 C ATOM 36366 C4* A 01750 151.580 76.250 139.815 1.00737.35 C ATOM 36367 O4* A 01750 151.873 75.810 141.167 1.00737.35 O ATOM 36368 C3* A 01750 151.402 74.959 139.031 1.00737.35 C ATOM 36369 O3* A 01750 151.665 75.167 137.646 1.00737.35 O ATOM 36370 C2* A 01750 152.441 74.048 139.674 1.00737.35 C ATOM 36371 O2* A 01750 153.748 74.258 139.176 1.00737.35 O ATOM 36372 C1* A 01750 152.371 74.482 141.140 1.00737.35 C ATOM 36373 N9 A 01750 151.500 73.640 141.962 1.00737.35 N ATOM 36374 C8 A 01750 150.174 73.833 142.266 1.00737.35 C ATOM 36375 N7 A 01750 149.665 72.899 143.032 1.00737.35 N ATOM 36376 C5 A 01750 150.727 72.032 143.249 1.00737.35 C ATOM 36377 C6 A 01750 150.837 70.838 143.984 1.00737.35 C ATOM 36378 N6 A 01750 149.827 70.290 144.665 1.00737.35 N ATOM 36379 N1 A 01750 152.036 70.217 143.997 1.00737.35 N ATOM 36380 C2 A 01750 153.049 70.766 143.314 1.00737.35 C ATOM 36381 N3 A 01750 153.068 71.881 142.587 1.00737.35 N ATOM 36382 C4 A 01750 151.861 72.474 142.595 1.00737.35 C ATOM 36383 P A 01751 150.911 74.268 136.546 1.00737.35 P ATOM 36384 O1P A 01751 151.390 74.713 135.212 1.00737.35 O ATOM 36385 O2P A 01751 149.455 74.277 136.841 1.00737.35 O ATOM 36386 O5* A 01751 151.462 72.795 136.803 1.00737.35 O ATOM 36387 C5* A 01751 152.854 72.500 136.685 1.00737.35 C ATOM 36388 C4* A 01751 153.127 71.075 137.112 1.00737.35 C ATOM 36389 O4* A 01751 152.735 70.912 138.502 1.00737.35 O ATOM 36390 C3* A 01751 152.347 70.001 136.370 1.00737.35 C ATOM 36391 O3* A 01751 153.009 69.639 135.161 1.00737.35 O ATOM 36392 C2* A 01751 152.341 68.855 137.375 1.00737.35 C ATOM 36393 O2* A 01751 153.541 68.111 137.372 1.00737.35 O ATOM 36394 C1* A 01751 152.203 69.611 138.698 1.00737.35 C ATOM 36395 N9 A 01751 150.817 69.742 139.155 1.00737.35 N ATOM 36396 C8 A 01751 149.897 70.701 138.801 1.00737.35 C ATOM 36397 N7 A 01751 148.731 70.553 139.380 1.00737.35 N ATOM 36398 C5 A 01751 148.891 69.421 140.167 1.00737.35 C ATOM 36399 C6 A 01751 148.015 68.740 141.030 1.00737.35 C ATOM 36400 N6 A 01751 146.753 69.114 141.253 1.00737.35 N ATOM 36401 N1 A 01751 148.487 67.644 141.665 1.00737.35 N ATOM 36402 C2 A 01751 149.753 67.269 141.440 1.00737.35 C ATOM 36403 N3 A 01751 150.670 67.826 140.656 1.00737.35 N ATOM 36404 C4 A 01751 150.171 68.912 140.039 1.00737.35 C ATOM 36405 P U 01752 152.141 69.204 133.877 1.00737.35 P ATOM 36406 O1P U 01752 153.100 68.839 132.803 1.00737.35 O ATOM 36407 O2P U 01752 151.118 70.250 133.621 1.00737.35 O ATOM 36408 O5* U 01752 151.390 67.877 134.348 1.00737.35 O ATOM 36409 C5* U 01752 152.115 66.681 134.627 1.00737.35 C ATOM 36410 C4* U 01752 151.183 65.612 135.148 1.00737.35 C ATOM 36411 O4* U 01752 150.607 66.056 136.404 1.00737.35 O ATOM 36412 C3* U 01752 149.980 65.303 134.268 1.00737.35 C ATOM 36413 O3* U 01752 150.315 64.345 133.268 1.00737.35 O ATOM 36414 C2* U 01752 148.981 64.738 135.272 1.00737.35 C ATOM 36415 O2* U 01752 149.207 63.376 135.575 1.00737.35 O ATOM 36416 C1* U 01752 149.268 65.597 136.507 1.00737.35 C ATOM 36417 N1 U 01752 148.379 66.763 136.640 1.00737.35 N ATOM 36418 C2 U 01752 147.168 66.583 137.298 1.00737.35 C ATOM 36419 O2 U 01752 146.812 65.511 137.763 1.00737.35 O ATOM 36420 N3 U 01752 146.385 67.707 137.389 1.00737.35 N ATOM 36421 C4 U 01752 146.678 68.966 136.905 1.00737.35 C ATOM 36422 O4 U 01752 145.867 69.880 137.069 1.00737.35 O ATOM 36423 C5 U 01752 147.939 69.073 136.241 1.00737.35 C ATOM 36424 C6 U 01752 148.725 67.997 136.132 1.00737.35 C ATOM 36425 P A 01753 149.904 64.611 131.736 1.00737.35 P ATOM 36426 O1P A 01753 150.139 63.350 130.989 1.00737.35 O ATOM 36427 O2P A 01753 150.568 65.863 131.286 1.00737.35 O ATOM 36428 O5* A 01753 148.333 64.874 131.791 1.00737.35 O ATOM 36429 C5* A 01753 147.435 63.877 132.277 1.00737.35 C ATOM 36430 C4* A 01753 146.032 64.433 132.360 1.00737.35 C ATOM 36431 O4* A 01753 146.022 65.552 133.286 1.00737.35 O ATOM 36432 C3* A 01753 145.473 65.002 131.064 1.00737.35 C ATOM 36433 O3* A 01753 144.875 63.966 130.287 1.00737.35 O ATOM 36434 C2* A 01753 144.442 66.006 131.567 1.00737.35 C ATOM 36435 O2* A 01753 143.213 65.408 131.927 1.00737.35 O ATOM 36436 C1* A 01753 145.134 66.553 132.818 1.00737.35 C ATOM 36437 N9 A 01753 145.910 67.776 132.585 1.00737.35 N ATOM 36438 C8 A 01753 147.084 67.910 131.886 1.00737.35 C ATOM 36439 N7 A 01753 147.547 69.136 131.858 1.00737.35 N ATOM 36440 C5 A 01753 146.613 69.860 132.587 1.00737.35 C ATOM 36441 C6 A 01753 146.530 71.222 132.929 1.00737.35 C ATOM 36442 N6 A 01753 147.434 72.133 132.561 1.00737.35 N ATOM 36443 N1 A 01753 145.471 71.620 133.666 1.00737.35 N ATOM 36444 C2 A 01753 144.565 70.704 134.033 1.00737.35 C ATOM 36445 N3 A 01753 144.534 69.400 133.775 1.00737.35 N ATOM 36446 C4 A 01753 145.598 69.034 133.040 1.00737.35 C ATOM 36447 P G 01754 145.013 63.982 128.683 1.00737.35 P ATOM 36448 O1P G 01754 144.758 62.596 128.212 1.00737.35 O ATOM 36449 O2P G 01754 146.284 64.659 128.314 1.00737.35 O ATOM 36450 O5* G 01754 143.802 64.896 128.192 1.00737.35 O ATOM 36451 C5* G 01754 142.487 64.712 128.711 1.00737.35 C ATOM 36452 C4* G 01754 141.532 64.323 127.606 1.00737.35 C ATOM 36453 O4* G 01754 140.227 64.055 128.183 1.00737.35 O ATOM 36454 C3* G 01754 141.269 65.387 126.549 1.00737.35 C ATOM 36455 O3* G 01754 142.258 65.341 125.524 1.00737.35 O ATOM 36456 C2* G 01754 139.894 64.987 126.022 1.00737.35 C ATOM 36457 O2* G 01754 139.945 63.943 125.069 1.00737.35 O ATOM 36458 C1* G 01754 139.211 64.491 127.296 1.00737.35 C ATOM 36459 N9 G 01754 138.415 65.514 127.973 1.00737.35 N ATOM 36460 C8 G 01754 138.866 66.477 128.846 1.00737.35 C ATOM 36461 N7 G 01754 137.914 67.251 129.291 1.00737.35 N ATOM 36462 C5 G 01754 136.765 66.772 128.675 1.00737.35 C ATOM 36463 C6 G 01754 135.420 67.215 128.773 1.00737.35 C ATOM 36464 O6 G 01754 134.960 68.145 129.443 1.00737.35 O ATOM 36465 N1 G 01754 134.572 66.446 127.979 1.00737.35 N ATOM 36466 C2 G 01754 134.965 65.391 127.194 1.00737.35 C ATOM 36467 N2 G 01754 133.996 64.777 126.502 1.00737.35 N ATOM 36468 N3 G 01754 136.216 64.971 127.096 1.00737.35 N ATOM 36469 C4 G 01754 137.055 65.701 127.858 1.00737.35 C ATOM 36470 P G 01755 142.604 66.671 124.687 1.00737.35 P ATOM 36471 O1P G 01755 143.575 66.288 123.631 1.00737.35 O ATOM 36472 O2P G 01755 142.952 67.751 125.646 1.00737.35 O ATOM 36473 O5* G 01755 141.229 67.051 123.976 1.00737.35 O ATOM 36474 C5* G 01755 141.063 68.309 123.324 1.00737.35 C ATOM 36475 C4* G 01755 139.703 68.885 123.648 1.00737.35 C ATOM 36476 O4* G 01755 139.617 70.243 123.141 1.00737.35 O ATOM 36477 C3* G 01755 138.510 68.185 123.017 1.00737.35 C ATOM 36478 O3* G 01755 138.126 67.029 123.757 1.00737.35 O ATOM 36479 C2* G 01755 137.446 69.274 123.066 1.00737.35 C ATOM 36480 O2* G 01755 136.835 69.398 124.335 1.00737.35 O ATOM 36481 C1* G 01755 138.277 70.524 122.766 1.00737.35 C ATOM 36482 N9 G 01755 138.248 70.904 121.355 1.00737.35 N ATOM 36483 C8 G 01755 139.173 70.596 120.387 1.00737.35 C ATOM 36484 N7 G 01755 138.861 71.072 119.212 1.00737.35 N ATOM 36485 C5 G 01755 137.659 71.736 119.417 1.00737.35 C ATOM 36486 C6 G 01755 136.834 72.449 118.507 1.00737.35 C ATOM 36487 O6 G 01755 137.007 72.643 117.297 1.00737.35 O ATOM 36488 N1 G 01755 135.707 72.966 119.139 1.00737.35 N ATOM 36489 C2 G 01755 135.408 72.816 120.470 1.00737.35 C ATOM 36490 N2 G 01755 134.271 73.388 120.890 1.00737.35 N ATOM 36491 N3 G 01755 136.165 72.154 121.326 1.00737.35 N ATOM 36492 C4 G 01755 137.268 71.643 120.736 1.00737.35 C ATOM 36493 P C 01756 137.271 65.871 123.036 1.00737.35 P ATOM 36494 O1P C 01756 137.120 64.763 124.014 1.00737.35 O ATOM 36495 O2P C 01756 137.873 65.597 121.706 1.00737.35 O ATOM 36496 O5* C 01756 135.841 66.535 122.809 1.00737.35 O ATOM 36497 C5* C 01756 135.038 66.933 123.918 1.00737.35 C ATOM 36498 C4* C 01756 133.835 67.720 123.454 1.00737.35 C ATOM 36499 O4* C 01756 134.271 68.934 122.785 1.00737.35 O ATOM 36500 C3* C 01756 132.935 67.051 122.427 1.00737.35 C ATOM 36501 O3* C 01756 132.034 66.137 123.044 1.00737.35 O ATOM 36502 C2* C 01756 132.207 68.244 121.822 1.00737.35 C ATOM 36503 O2* C 01756 131.135 68.707 122.619 1.00737.35 O ATOM 36504 C1* C 01756 133.318 69.297 121.794 1.00737.35 C ATOM 36505 N1 C 01756 133.991 69.392 120.482 1.00737.35 N ATOM 36506 C2 C 01756 133.428 70.216 119.491 1.00737.35 C ATOM 36507 O2 C 01756 132.390 70.850 119.749 1.00737.35 O ATOM 36508 N3 C 01756 134.027 70.301 118.281 1.00737.35 N ATOM 36509 C4 C 01756 135.143 69.609 118.039 1.00737.35 C ATOM 36510 N4 C 01756 135.696 69.724 116.829 1.00737.35 N ATOM 36511 C5 C 01756 135.739 68.769 119.026 1.00737.35 C ATOM 36512 C6 C 01756 135.139 68.692 120.220 1.00737.35 C ATOM 36513 P C 01757 131.329 64.992 122.160 1.00737.35 P ATOM 36514 O1P C 01757 130.540 64.126 123.071 1.00737.35 O ATOM 36515 O2P C 01757 132.369 64.384 121.293 1.00737.35 O ATOM 36516 O5* C 01757 130.318 65.798 121.228 1.00737.35 O ATOM 36517 C5* C 01757 129.214 66.504 121.791 1.00737.35 C ATOM 36518 C4* C 01757 128.475 67.275 120.721 1.00737.35 C ATOM 36519 O4* C 01757 129.339 68.300 120.165 1.00737.35 O ATOM 36520 C3* C 01757 128.026 66.483 119.506 1.00737.35 C ATOM 36521 O3* C 01757 126.812 65.783 119.767 1.00737.35 O ATOM 36522 C2* C 01757 127.839 67.580 118.462 1.00737.35 C ATOM 36523 O2* C 01757 126.608 68.263 118.587 1.00737.35 O ATOM 36524 C1* C 01757 128.992 68.526 118.805 1.00737.35 C ATOM 36525 N1 C 01757 130.187 68.330 117.957 1.00737.35 N ATOM 36526 C2 C 01757 130.237 68.966 116.703 1.00737.35 C ATOM 36527 O2 C 01757 129.281 69.675 116.343 1.00737.35 O ATOM 36528 N3 C 01757 131.324 68.788 115.917 1.00737.35 N ATOM 36529 C4 C 01757 132.333 68.022 116.334 1.00737.35 C ATOM 36530 N4 C 01757 133.383 67.876 115.522 1.00737.35 N ATOM 36531 C5 C 01757 132.311 67.369 117.601 1.00737.35 C ATOM 36532 C6 C 01757 131.230 67.548 118.374 1.00737.35 C ATOM 36533 P C 01758 126.405 64.523 118.855 1.00737.35 P ATOM 36534 O1P C 01758 125.208 63.882 119.455 1.00737.35 O ATOM 36535 O2P C 01758 127.630 63.713 118.624 1.00737.35 O ATOM 36536 O5* C 01758 125.982 65.180 117.468 1.00737.35 O ATOM 36537 C5* C 01758 124.846 66.039 117.384 1.00737.35 C ATOM 36538 C4* C 01758 124.717 66.608 115.990 1.00737.35 C ATOM 36539 O4* C 01758 125.857 67.458 115.699 1.00737.35 O ATOM 36540 C3* C 01758 124.714 65.597 114.855 1.00737.35 C ATOM 36541 O3* C 01758 123.421 65.032 114.674 1.00737.35 O ATOM 36542 C2* C 01758 125.142 66.451 113.667 1.00737.35 C ATOM 36543 O2* C 01758 124.084 67.208 113.113 1.00737.35 O ATOM 36544 C1* C 01758 126.165 67.387 114.315 1.00737.35 C ATOM 36545 N1 C 01758 127.563 66.933 114.159 1.00737.35 N ATOM 36546 C2 C 01758 128.271 67.307 113.003 1.00737.35 C ATOM 36547 O2 C 01758 127.709 68.011 112.149 1.00737.35 O ATOM 36548 N3 C 01758 129.550 66.892 112.846 1.00737.35 N ATOM 36549 C4 C 01758 130.126 66.136 113.785 1.00737.35 C ATOM 36550 N4 C 01758 131.389 65.749 113.587 1.00737.35 N ATOM 36551 C5 C 01758 129.432 65.742 114.969 1.00737.35 C ATOM 36552 C6 C 01758 128.167 66.159 115.114 1.00737.35 C ATOM 36553 P A 01759 123.274 63.575 114.006 1.00737.35 P ATOM 36554 O1P A 01759 121.839 63.192 114.043 1.00737.35 O ATOM 36555 O2P A 01759 124.287 62.687 114.631 1.00737.35 O ATOM 36556 O5* A 01759 123.695 63.811 112.486 1.00737.35 O ATOM 36557 C5* A 01759 122.902 64.628 111.628 1.00737.35 C ATOM 36558 C4* A 01759 123.516 64.699 110.249 1.00737.35 C ATOM 36559 O4* A 01759 124.791 65.389 110.313 1.00737.35 O ATOM 36560 C3* A 01759 123.854 63.366 109.601 1.00737.35 C ATOM 36561 O3* A 01759 122.706 62.781 108.994 1.00737.35 O ATOM 36562 C2* A 01759 124.905 63.769 108.573 1.00737.35 C ATOM 36563 O2* A 01759 124.348 64.302 107.388 1.00737.35 O ATOM 36564 C1* A 01759 125.666 64.863 109.326 1.00737.35 C ATOM 36565 N9 A 01759 126.883 64.380 109.985 1.00737.35 N ATOM 36566 C8 A 01759 127.045 63.974 111.288 1.00737.35 C ATOM 36567 N7 A 01759 128.266 63.589 111.572 1.00737.35 N ATOM 36568 C5 A 01759 128.955 63.753 110.379 1.00737.35 C ATOM 36569 C6 A 01759 130.295 63.520 110.018 1.00737.35 C ATOM 36570 N6 A 01759 131.220 63.052 110.858 1.00737.35 N ATOM 36571 N1 A 01759 130.656 63.786 108.744 1.00737.35 N ATOM 36572 C2 A 01759 129.730 64.254 107.899 1.00737.35 C ATOM 36573 N3 A 01759 128.444 64.516 108.118 1.00737.35 N ATOM 36574 C4 A 01759 128.115 64.240 109.392 1.00737.35 C ATOM 36575 P G 01760 122.658 61.192 108.749 1.00737.35 P ATOM 36576 O1P G 01760 121.309 60.845 108.232 1.00737.35 O ATOM 36577 O2P G 01760 123.165 60.527 109.976 1.00737.35 O ATOM 36578 O5* G 01760 123.721 60.954 107.587 1.00737.35 O ATOM 36579 C5* G 01760 123.481 61.443 106.268 1.00737.35 C ATOM 36580 C4* G 01760 124.635 61.095 105.357 1.00737.35 C ATOM 36581 O4* G 01760 125.824 61.814 105.772 1.00737.35 O ATOM 36582 C3* G 01760 125.066 59.638 105.355 1.00737.35 C ATOM 36583 O3* G 01760 124.237 58.859 104.499 1.00737.35 O ATOM 36584 C2* G 01760 126.501 59.726 104.839 1.00737.35 C ATOM 36585 O2* G 01760 126.576 59.825 103.430 1.00737.35 O ATOM 36586 C1* G 01760 126.976 61.036 105.479 1.00737.35 C ATOM 36587 N9 G 01760 127.742 60.845 106.708 1.00737.35 N ATOM 36588 C8 G 01760 127.255 60.789 107.993 1.00737.35 C ATOM 36589 N7 G 01760 128.191 60.609 108.886 1.00737.35 N ATOM 36590 C5 G 01760 129.364 60.540 108.150 1.00737.35 C ATOM 36591 C6 G 01760 130.709 60.353 108.571 1.00737.35 C ATOM 36592 O6 G 01760 131.143 60.209 109.721 1.00737.35 O ATOM 36593 N1 G 01760 131.586 60.347 107.493 1.00737.35 N ATOM 36594 C2 G 01760 131.223 60.499 106.178 1.00737.35 C ATOM 36595 N2 G 01760 132.221 60.462 105.279 1.00737.35 N ATOM 36596 N3 G 01760 129.978 60.674 105.770 1.00737.35 N ATOM 36597 C4 G 01760 129.106 60.683 106.802 1.00737.35 C ATOM 36598 P G 01761 124.161 57.265 104.699 1.00737.35 P ATOM 36599 O1P G 01761 123.091 56.739 103.813 1.00737.35 O ATOM 36600 O2P G 01761 124.103 56.991 106.158 1.00737.35 O ATOM 36601 O5* G 01761 125.565 56.746 104.155 1.00737.35 O ATOM 36602 C5* G 01761 125.871 56.786 102.763 1.00737.35 C ATOM 36603 C4* G 01761 127.276 56.280 102.515 1.00737.35 C ATOM 36604 O4* G 01761 128.235 57.199 103.097 1.00737.35 O ATOM 36605 C3* G 01761 127.614 54.938 103.145 1.00737.35 C ATOM 36606 O3* G 01761 127.159 53.860 102.333 1.00737.35 O ATOM 36607 C2* G 01761 129.134 55.000 103.229 1.00737.35 C ATOM 36608 O2* G 01761 129.772 54.687 102.006 1.00737.35 O ATOM 36609 C1* G 01761 129.361 56.475 103.571 1.00737.35 C ATOM 36610 N9 G 01761 129.507 56.722 105.002 1.00737.35 N ATOM 36611 C8 G 01761 128.513 57.035 105.900 1.00737.35 C ATOM 36612 N7 G 01761 128.954 57.197 107.118 1.00737.35 N ATOM 36613 C5 G 01761 130.321 56.980 107.022 1.00737.35 C ATOM 36614 C6 G 01761 131.331 57.015 108.019 1.00737.35 C ATOM 36615 O6 G 01761 131.214 57.256 109.226 1.00737.35 O ATOM 36616 N1 G 01761 132.585 56.732 107.486 1.00737.35 N ATOM 36617 C2 G 01761 132.837 56.449 106.167 1.00737.35 C ATOM 36618 N2 G 01761 134.116 56.202 105.850 1.00737.35 N ATOM 36619 N3 G 01761 131.906 56.412 105.229 1.00737.35 N ATOM 36620 C4 G 01761 130.680 56.685 105.722 1.00737.35 C ATOM 36621 P C 01762 126.762 52.462 103.019 1.00737.35 P ATOM 36622 O1P C 01762 126.235 51.562 101.961 1.00737.35 O ATOM 36623 O2P C 01762 125.924 52.762 104.208 1.00737.35 O ATOM 36624 O5* C 01762 128.153 51.879 103.531 1.00737.35 O ATOM 36625 C5* C 01762 129.145 51.438 102.605 1.00737.35 C ATOM 36626 C4* C 01762 130.375 50.953 103.335 1.00737.35 C ATOM 36627 O4* C 01762 131.013 52.065 104.014 1.00737.35 O ATOM 36628 C3* C 01762 130.141 49.932 104.437 1.00737.35 C ATOM 36629 O3* C 01762 130.021 48.620 103.899 1.00737.35 O ATOM 36630 C2* C 01762 131.396 50.090 105.289 1.00737.35 C ATOM 36631 O2* C 01762 132.510 49.395 104.763 1.00737.35 O ATOM 36632 C1* C 01762 131.644 51.600 105.198 1.00737.35 C ATOM 36633 N1 C 01762 131.125 52.360 106.353 1.00737.35 N ATOM 36634 C2 C 01762 131.951 52.534 107.478 1.00737.35 C ATOM 36635 O2 C 01762 133.095 52.046 107.471 1.00737.35 O ATOM 36636 N3 C 01762 131.485 53.231 108.539 1.00737.35 N ATOM 36637 C4 C 01762 130.254 53.744 108.513 1.00737.35 C ATOM 36638 N4 C 01762 129.840 54.424 109.585 1.00737.35 N ATOM 36639 C5 C 01762 129.393 53.581 107.387 1.00737.35 C ATOM 36640 C6 C 01762 129.863 52.893 106.341 1.00737.35 C ATOM 36641 P G 01763 129.166 47.508 104.688 1.00737.35 P ATOM 36642 O1P G 01763 129.068 46.304 103.827 1.00737.35 O ATOM 36643 O2P G 01763 127.923 48.156 105.181 1.00737.35 O ATOM 36644 O5* G 01763 130.071 47.153 105.950 1.00737.35 O ATOM 36645 C5* G 01763 131.347 46.535 105.783 1.00737.35 C ATOM 36646 C4* G 01763 132.132 46.590 107.071 1.00737.35 C ATOM 36647 O4* G 01763 132.360 47.977 107.436 1.00737.35 O ATOM 36648 C3* G 01763 131.454 45.993 108.296 1.00737.35 C ATOM 36649 O3* G 01763 131.656 44.582 108.350 1.00737.35 O ATOM 36650 C2* G 01763 132.174 46.700 109.438 1.00737.35 C ATOM 36651 O2* G 01763 133.422 46.116 109.756 1.00737.35 O ATOM 36652 C1* G 01763 132.393 48.098 108.849 1.00737.35 C ATOM 36653 N9 G 01763 131.393 49.077 109.267 1.00737.35 N ATOM 36654 C8 G 01763 130.321 49.542 108.542 1.00737.35 C ATOM 36655 N7 G 01763 129.606 50.422 109.191 1.00737.35 N ATOM 36656 C5 G 01763 130.244 50.547 110.419 1.00737.35 C ATOM 36657 C6 G 01763 129.928 51.358 111.542 1.00737.35 C ATOM 36658 O6 G 01763 128.994 52.158 111.681 1.00737.35 O ATOM 36659 N1 G 01763 130.840 51.169 112.578 1.00737.35 N ATOM 36660 C2 G 01763 131.913 50.313 112.539 1.00737.35 C ATOM 36661 N2 G 01763 132.677 50.271 113.641 1.00737.35 N ATOM 36662 N3 G 01763 132.217 49.557 111.500 1.00737.35 N ATOM 36663 C4 G 01763 131.347 49.722 110.482 1.00737.35 C ATOM 36664 P A 01764 130.441 43.617 108.768 1.00737.35 P ATOM 36665 O1P A 01764 130.995 42.259 109.014 1.00737.35 O ATOM 36666 O2P A 01764 129.362 43.795 107.764 1.00737.35 O ATOM 36667 O5* A 01764 129.925 44.206 110.156 1.00737.35 O ATOM 36668 C5* A 01764 130.809 44.361 111.264 1.00737.35 C ATOM 36669 C4* A 01764 130.358 45.508 112.133 1.00737.35 C ATOM 36670 O4* A 01764 129.030 45.226 112.649 1.00737.35 O ATOM 36671 C3* A 01764 131.195 45.756 113.378 1.00737.35 C ATOM 36672 O3* A 01764 132.328 46.567 113.077 1.00737.35 O ATOM 36673 C2* A 01764 130.208 46.476 114.289 1.00737.35 C ATOM 36674 O2* A 01764 130.074 47.850 113.986 1.00737.35 O ATOM 36675 C1* A 01764 128.907 45.742 113.965 1.00737.35 C ATOM 36676 N9 A 01764 128.633 44.630 114.877 1.00737.35 N ATOM 36677 C8 A 01764 128.953 43.303 114.717 1.00737.35 C ATOM 36678 N7 A 01764 128.577 42.545 115.717 1.00737.35 N ATOM 36679 C5 A 01764 127.970 43.428 116.597 1.00737.35 C ATOM 36680 C6 A 01764 127.361 43.248 117.852 1.00737.35 C ATOM 36681 N6 A 01764 127.261 42.064 118.463 1.00737.35 N ATOM 36682 N1 A 01764 126.852 44.337 118.466 1.00737.35 N ATOM 36683 C2 A 01764 126.951 45.523 117.854 1.00737.35 C ATOM 36684 N3 A 01764 127.496 45.821 116.676 1.00737.35 N ATOM 36685 C4 A 01764 127.995 44.717 116.092 1.00737.35 C ATOM 36686 P C 01765 133.689 46.378 113.914 1.00737.35 P ATOM 36687 O1P C 01765 134.665 47.395 113.444 1.00737.35 O ATOM 36688 O2P C 01765 134.049 44.939 113.866 1.00737.35 O ATOM 36689 O5* C 01765 133.277 46.733 115.411 1.00737.35 O ATOM 36690 C5* C 01765 132.788 48.030 115.751 1.00737.35 C ATOM 36691 C4* C 01765 132.220 48.028 117.153 1.00737.35 C ATOM 36692 O4* C 01765 131.097 47.110 117.213 1.00737.35 O ATOM 36693 C3* C 01765 133.167 47.546 118.239 1.00737.35 C ATOM 36694 O3* C 01765 133.995 48.611 118.696 1.00737.35 O ATOM 36695 C2* C 01765 132.203 47.067 119.318 1.00737.35 C ATOM 36696 O2* C 01765 131.689 48.119 120.111 1.00737.35 O ATOM 36697 C1* C 01765 131.079 46.457 118.475 1.00737.35 C ATOM 36698 N1 C 01765 131.222 45.003 118.255 1.00737.35 N ATOM 36699 C2 C 01765 130.604 44.119 119.155 1.00737.35 C ATOM 36700 O2 C 01765 129.955 44.578 120.111 1.00737.35 O ATOM 36701 N3 C 01765 130.731 42.785 118.960 1.00737.35 N ATOM 36702 C4 C 01765 131.436 42.327 117.924 1.00737.35 C ATOM 36703 N4 C 01765 131.535 41.003 117.772 1.00737.35 N ATOM 36704 C5 C 01765 132.073 43.201 116.996 1.00737.35 C ATOM 36705 C6 C 01765 131.941 44.518 117.196 1.00737.35 C ATOM 36706 P U 01766 135.593 48.446 118.673 1.00737.35 P ATOM 36707 O1P U 01766 136.173 49.713 119.192 1.00737.35 O ATOM 36708 O2P U 01766 135.995 47.952 117.330 1.00737.35 O ATOM 36709 O5* U 01766 135.874 47.289 119.730 1.00737.35 O ATOM 36710 C5* U 01766 135.927 47.566 121.129 1.00737.35 C ATOM 36711 C4* U 01766 136.540 46.402 121.873 1.00737.35 C ATOM 36712 O4* U 01766 135.662 45.250 121.778 1.00737.35 O ATOM 36713 C3* U 01766 137.869 45.907 121.328 1.00737.35 C ATOM 36714 O3* U 01766 138.955 46.677 121.835 1.00737.35 O ATOM 36715 C2* U 01766 137.907 44.466 121.829 1.00737.35 C ATOM 36716 O2* U 01766 138.322 44.355 123.176 1.00737.35 O ATOM 36717 C1* U 01766 136.435 44.065 121.703 1.00737.35 C ATOM 36718 N1 U 01766 136.116 43.372 120.441 1.00737.35 N ATOM 36719 C2 U 01766 136.257 41.991 120.406 1.00737.35 C ATOM 36720 O2 U 01766 136.630 41.333 121.365 1.00737.35 O ATOM 36721 N3 U 01766 135.947 41.409 119.202 1.00737.35 N ATOM 36722 C4 U 01766 135.519 42.045 118.054 1.00737.35 C ATOM 36723 O4 U 01766 135.276 41.376 117.048 1.00737.35 O ATOM 36724 C5 U 01766 135.399 43.465 118.169 1.00737.35 C ATOM 36725 C6 U 01766 135.693 44.066 119.326 1.00737.35 C ATOM 36726 P G 01767 140.196 47.028 120.876 1.00737.35 P ATOM 36727 O1P G 01767 141.199 47.762 121.685 1.00737.35 O ATOM 36728 O2P G 01767 139.667 47.644 119.631 1.00737.35 O ATOM 36729 O5* G 01767 140.812 45.607 120.502 1.00737.35 O ATOM 36730 C5* G 01767 141.226 44.691 121.514 1.00737.35 C ATOM 36731 C4* G 01767 141.637 43.379 120.890 1.00737.35 C ATOM 36732 O4* G 01767 140.498 42.813 120.187 1.00737.35 O ATOM 36733 C3* G 01767 142.734 43.487 119.839 1.00737.35 C ATOM 36734 O3* G 01767 144.017 43.417 120.450 1.00737.35 O ATOM 36735 C2* G 01767 142.451 42.286 118.948 1.00737.35 C ATOM 36736 O2* G 01767 142.949 41.075 119.479 1.00737.35 O ATOM 36737 C1* G 01767 140.919 42.262 118.950 1.00737.35 C ATOM 36738 N9 G 01767 140.313 43.043 117.873 1.00737.35 N ATOM 36739 C8 G 01767 139.710 44.273 117.984 1.00737.35 C ATOM 36740 N7 G 01767 139.250 44.724 116.847 1.00737.35 N ATOM 36741 C5 G 01767 139.567 43.734 115.930 1.00737.35 C ATOM 36742 C6 G 01767 139.319 43.663 114.536 1.00737.35 C ATOM 36743 O6 G 01767 138.746 44.489 113.812 1.00737.35 O ATOM 36744 N1 G 01767 139.810 42.483 113.989 1.00737.35 N ATOM 36745 C2 G 01767 140.459 41.495 114.690 1.00737.35 C ATOM 36746 N2 G 01767 140.864 40.432 113.977 1.00737.35 N ATOM 36747 N3 G 01767 140.695 41.548 115.991 1.00737.35 N ATOM 36748 C4 G 01767 140.225 42.688 116.543 1.00737.35 C ATOM 36749 P U 01768 145.278 44.135 119.754 1.00737.35 P ATOM 36750 O1P U 01768 146.435 43.985 120.671 1.00737.35 O ATOM 36751 O2P U 01768 144.862 45.492 119.312 1.00737.35 O ATOM 36752 O5* U 01768 145.553 43.252 118.455 1.00737.35 O ATOM 36753 C5* U 01768 145.934 41.882 118.568 1.00737.35 C ATOM 36754 C4* U 01768 145.916 41.221 117.209 1.00737.35 C ATOM 36755 O4* U 01768 144.563 41.242 116.685 1.00737.35 O ATOM 36756 C3* U 01768 146.749 41.906 116.137 1.00737.35 C ATOM 36757 O3* U 01768 148.106 41.478 116.194 1.00737.35 O ATOM 36758 C2* U 01768 146.060 41.461 114.853 1.00737.35 C ATOM 36759 O2* U 01768 146.437 40.162 114.442 1.00737.35 O ATOM 36760 C1* U 01768 144.591 41.461 115.284 1.00737.35 C ATOM 36761 N1 U 01768 143.888 42.722 114.991 1.00737.35 N ATOM 36762 C2 U 01768 143.363 42.893 113.718 1.00737.35 C ATOM 36763 O2 U 01768 143.460 42.053 112.834 1.00737.35 O ATOM 36764 N3 U 01768 142.719 44.088 113.512 1.00737.35 N ATOM 36765 C4 U 01768 142.547 45.109 114.424 1.00737.35 C ATOM 36766 O4 U 01768 141.938 46.125 114.087 1.00737.35 O ATOM 36767 C5 U 01768 143.115 44.861 115.711 1.00737.35 C ATOM 36768 C6 U 01768 143.750 43.707 115.945 1.00737.35 C ATOM 36769 P U 01769 149.281 42.479 115.743 1.00737.35 P ATOM 36770 O1P U 01769 150.570 41.824 116.085 1.00737.35 O ATOM 36771 O2P U 01769 148.984 43.830 116.282 1.00737.35 O ATOM 36772 O5* U 01769 149.150 42.536 114.155 1.00737.35 O ATOM 36773 C5* U 01769 149.619 41.462 113.341 1.00737.35 C ATOM 36774 C4* U 01769 149.439 41.798 111.878 1.00737.35 C ATOM 36775 O4* U 01769 148.023 41.899 111.577 1.00737.35 O ATOM 36776 C3* U 01769 150.017 43.133 111.430 1.00737.35 C ATOM 36777 O3* U 01769 151.401 43.016 111.121 1.00737.35 O ATOM 36778 C2* U 01769 149.188 43.444 110.187 1.00737.35 C ATOM 36779 O2* U 01769 149.645 42.770 109.032 1.00737.35 O ATOM 36780 C1* U 01769 147.816 42.897 110.590 1.00737.35 C ATOM 36781 N1 U 01769 146.904 43.921 111.135 1.00737.35 N ATOM 36782 C2 U 01769 146.131 44.642 110.237 1.00737.35 C ATOM 36783 O2 U 01769 146.172 44.469 109.028 1.00737.35 O ATOM 36784 N3 U 01769 145.303 45.579 110.806 1.00737.35 N ATOM 36785 C4 U 01769 145.171 45.864 112.149 1.00737.35 C ATOM 36786 O4 U 01769 144.372 46.731 112.506 1.00737.35 O ATOM 36787 C5 U 01769 146.003 45.083 113.011 1.00737.35 C ATOM 36788 C6 U 01769 146.820 44.162 112.490 1.00737.35 C ATOM 36789 P U 01770 152.436 44.136 111.638 1.00737.35 P ATOM 36790 O1P U 01770 153.323 43.488 112.637 1.00737.35 O ATOM 36791 O2P U 01770 151.681 45.360 112.013 1.00737.35 O ATOM 36792 O5* U 01770 153.308 44.477 110.350 1.00737.35 O ATOM 36793 C5* U 01770 154.076 43.470 109.693 1.00737.35 C ATOM 36794 C4* U 01770 154.041 43.678 108.197 1.00737.35 C ATOM 36795 O4* U 01770 152.669 43.571 107.739 1.00737.35 O ATOM 36796 C3* U 01770 154.494 45.046 107.710 1.00737.35 C ATOM 36797 O3* U 01770 155.910 45.092 107.557 1.00737.35 O ATOM 36798 C2* U 01770 153.787 45.158 106.364 1.00737.35 C ATOM 36799 O2* U 01770 154.460 44.474 105.326 1.00737.35 O ATOM 36800 C1* U 01770 152.454 44.466 106.659 1.00737.35 C ATOM 36801 N1 U 01770 151.370 45.393 107.025 1.00737.35 N ATOM 36802 C2 U 01770 150.486 45.782 106.027 1.00737.35 C ATOM 36803 O2 U 01770 150.563 45.389 104.875 1.00737.35 O ATOM 36804 N3 U 01770 149.506 46.653 106.433 1.00737.35 N ATOM 36805 C4 U 01770 149.314 47.163 107.699 1.00737.35 C ATOM 36806 O4 U 01770 148.381 47.940 107.905 1.00737.35 O ATOM 36807 C5 U 01770 150.262 46.713 108.672 1.00737.35 C ATOM 36808 C6 U 01770 151.231 45.866 108.314 1.00737.35 C ATOM 36809 P A 01771 156.757 46.250 108.282 1.00737.35 P ATOM 36810 O1P A 01771 155.906 47.467 108.345 1.00737.35 O ATOM 36811 O2P A 01771 158.091 46.322 107.632 1.00737.35 O ATOM 36812 O5* A 01771 156.955 45.710 109.768 1.00737.35 O ATOM 36813 C5* A 01771 157.527 44.430 110.013 1.00737.35 C ATOM 36814 C4* A 01771 157.481 44.103 111.487 1.00737.35 C ATOM 36815 O4* A 01771 157.919 42.733 111.685 1.00737.35 O ATOM 36816 C3* A 01771 158.398 44.928 112.378 1.00737.35 C ATOM 36817 O3* A 01771 157.778 46.155 112.755 1.00737.35 O ATOM 36818 C2* A 01771 158.602 44.005 113.575 1.00737.35 C ATOM 36819 O2* A 01771 157.532 44.050 114.499 1.00737.35 O ATOM 36820 C1* A 01771 158.641 42.632 112.900 1.00737.35 C ATOM 36821 N9 A 01771 159.995 42.167 112.595 1.00737.35 N ATOM 36822 C8 A 01771 160.770 42.473 111.501 1.00737.35 C ATOM 36823 N7 A 01771 161.948 41.899 111.511 1.00737.35 N ATOM 36824 C5 A 01771 161.953 41.167 112.689 1.00737.35 C ATOM 36825 C6 A 01771 162.919 40.334 113.281 1.00737.35 C ATOM 36826 N6 A 01771 164.115 40.088 112.744 1.00737.35 N ATOM 36827 N1 A 01771 162.608 39.753 114.461 1.00737.35 N ATOM 36828 C2 A 01771 161.408 40.000 115.001 1.00737.35 C ATOM 36829 N3 A 01771 160.417 40.761 114.541 1.00737.35 N ATOM 36830 C4 A 01771 160.756 41.323 113.367 1.00737.35 C ATOM 36831 P C 01772 158.670 47.362 113.345 1.00737.35 P ATOM 36832 O1P C 01772 159.971 46.804 113.796 1.00737.35 O ATOM 36833 O2P C 01772 157.823 48.112 114.309 1.00737.35 O ATOM 36834 O5* C 01772 158.954 48.296 112.085 1.00737.35 O ATOM 36835 C5* C 01772 158.954 49.719 112.216 1.00737.35 C ATOM 36836 C4* C 01772 159.986 50.341 111.302 1.00737.35 C ATOM 36837 O4* C 01772 161.307 49.863 111.671 1.00737.35 O ATOM 36838 C3* C 01772 159.867 50.013 109.822 1.00737.35 C ATOM 36839 O3* C 01772 158.928 50.875 109.185 1.00737.35 O ATOM 36840 C2* C 01772 161.289 50.259 109.324 1.00737.35 C ATOM 36841 O2* C 01772 161.566 51.627 109.091 1.00737.35 O ATOM 36842 C1* C 01772 162.118 49.757 110.508 1.00737.35 C ATOM 36843 N1 C 01772 162.565 48.356 110.363 1.00737.35 N ATOM 36844 C2 C 01772 163.683 48.080 109.559 1.00737.35 C ATOM 36845 O2 C 01772 164.265 49.019 108.986 1.00737.35 O ATOM 36846 N3 C 01772 164.102 46.801 109.424 1.00737.35 N ATOM 36847 C4 C 01772 163.452 45.817 110.048 1.00737.35 C ATOM 36848 N4 C 01772 163.900 44.570 109.887 1.00737.35 N ATOM 36849 C5 C 01772 162.312 46.065 110.867 1.00737.35 C ATOM 36850 C6 C 01772 161.908 47.335 110.995 1.00737.35 C ATOM 36851 P C 01773 158.468 50.578 107.672 1.00737.35 P ATOM 36852 O1P C 01773 157.847 49.230 107.654 1.00737.35 O ATOM 36853 O2P C 01773 159.611 50.869 106.770 1.00737.35 O ATOM 36854 O5* C 01773 157.326 51.652 107.391 1.00737.35 O ATOM 36855 C5* C 01773 157.407 52.974 107.923 1.00737.35 C ATOM 36856 C4* C 01773 156.856 53.973 106.932 1.00737.35 C ATOM 36857 O4* C 01773 157.720 54.022 105.769 1.00737.35 O ATOM 36858 C3* C 01773 155.478 53.654 106.371 1.00737.35 C ATOM 36859 O3* C 01773 154.458 54.128 107.247 1.00737.35 O ATOM 36860 C2* C 01773 155.483 54.404 105.044 1.00737.35 C ATOM 36861 O2* C 01773 155.168 55.777 105.179 1.00737.35 O ATOM 36862 C1* C 01773 156.943 54.250 104.606 1.00737.35 C ATOM 36863 N1 C 01773 157.172 53.143 103.656 1.00737.35 N ATOM 36864 C2 C 01773 157.046 53.393 102.279 1.00737.35 C ATOM 36865 O2 C 01773 156.749 54.538 101.896 1.00737.35 O ATOM 36866 N3 C 01773 157.253 52.383 101.404 1.00737.35 N ATOM 36867 C4 C 01773 157.573 51.166 101.850 1.00737.35 C ATOM 36868 N4 C 01773 157.764 50.201 100.949 1.00737.35 N ATOM 36869 C5 C 01773 157.709 50.886 103.240 1.00737.35 C ATOM 36870 C6 C 01773 157.502 51.891 104.099 1.00737.35 C ATOM 36871 P A 01774 153.370 53.103 107.840 1.00737.35 P ATOM 36872 O1P A 01774 152.619 53.826 108.897 1.00737.35 O ATOM 36873 O2P A 01774 154.053 51.827 108.172 1.00737.35 O ATOM 36874 O5* A 01774 152.378 52.830 106.622 1.00737.35 O ATOM 36875 C5* A 01774 151.592 53.879 106.061 1.00737.35 C ATOM 36876 C4* A 01774 150.457 53.304 105.245 1.00737.35 C ATOM 36877 O4* A 01774 151.012 52.467 104.198 1.00737.35 O ATOM 36878 C3* A 01774 149.498 52.393 105.997 1.00737.35 C ATOM 36879 O3* A 01774 148.461 53.165 106.601 1.00737.35 O ATOM 36880 C2* A 01774 148.939 51.511 104.883 1.00737.35 C ATOM 36881 O2* A 01774 147.875 52.118 104.175 1.00737.35 O ATOM 36882 C1* A 01774 150.151 51.369 103.960 1.00737.35 C ATOM 36883 N9 A 01774 150.916 50.135 104.142 1.00737.35 N ATOM 36884 C8 A 01774 151.587 49.696 105.259 1.00737.35 C ATOM 36885 N7 A 01774 152.190 48.543 105.095 1.00737.35 N ATOM 36886 C5 A 01774 151.899 48.198 103.782 1.00737.35 C ATOM 36887 C6 A 01774 152.247 47.087 102.994 1.00737.35 C ATOM 36888 N6 A 01774 153.001 46.074 103.432 1.00737.35 N ATOM 36889 N1 A 01774 151.793 47.050 101.724 1.00737.35 N ATOM 36890 C2 A 01774 151.040 48.063 101.283 1.00737.35 C ATOM 36891 N3 A 01774 150.645 49.161 101.924 1.00737.35 N ATOM 36892 C4 A 01774 151.113 49.168 103.184 1.00737.35 C ATOM 36893 P A 01775 148.411 53.335 108.199 1.00737.35 P ATOM 36894 O1P A 01775 147.350 54.333 108.487 1.00737.35 O ATOM 36895 O2P A 01775 149.791 53.572 108.693 1.00737.35 O ATOM 36896 O5* A 01775 147.927 51.916 108.740 1.00737.35 O ATOM 36897 C5* A 01775 146.588 51.459 108.537 1.00737.35 C ATOM 36898 C4* A 01775 146.166 50.562 109.682 1.00737.35 C ATOM 36899 O4* A 01775 147.104 49.460 109.783 1.00737.35 O ATOM 36900 C3* A 01775 146.179 51.211 111.059 1.00737.35 C ATOM 36901 O3* A 01775 144.927 51.833 111.334 1.00737.35 O ATOM 36902 C2* A 01775 146.389 50.017 111.983 1.00737.35 C ATOM 36903 O2* A 01775 145.193 49.320 112.271 1.00737.35 O ATOM 36904 C1* A 01775 147.313 49.133 111.144 1.00737.35 C ATOM 36905 N9 A 01775 148.733 49.309 111.453 1.00737.35 N ATOM 36906 C8 A 01775 149.620 50.206 110.905 1.00737.35 C ATOM 36907 N7 A 01775 150.834 50.114 111.395 1.00737.35 N ATOM 36908 C5 A 01775 150.740 49.090 112.326 1.00737.35 C ATOM 36909 C6 A 01775 151.684 48.506 113.186 1.00737.35 C ATOM 36910 N6 A 01775 152.962 48.888 113.251 1.00737.35 N ATOM 36911 N1 A 01775 151.267 47.505 113.991 1.00737.35 N ATOM 36912 C2 A 01775 149.986 47.124 113.925 1.00737.35 C ATOM 36913 N3 A 01775 149.006 47.592 113.159 1.00737.35 N ATOM 36914 C4 A 01775 149.452 48.585 112.372 1.00737.35 C ATOM 36915 P A 01776 144.718 53.399 111.032 1.00737.35 P ATOM 36916 O1P A 01776 146.045 54.005 110.752 1.00737.35 O ATOM 36917 O2P A 01776 143.868 53.967 112.111 1.00737.35 O ATOM 36918 O5* A 01776 143.876 53.408 109.679 1.00737.35 O ATOM 36919 C5* A 01776 142.686 52.631 109.562 1.00737.35 C ATOM 36920 C4* A 01776 142.311 52.459 108.108 1.00737.35 C ATOM 36921 O4* A 01776 143.429 51.889 107.381 1.00737.35 O ATOM 36922 C3* A 01776 141.166 51.491 107.856 1.00737.35 C ATOM 36923 O3* A 01776 139.912 52.147 108.004 1.00737.35 O ATOM 36924 C2* A 01776 141.419 51.056 106.419 1.00737.35 C ATOM 36925 O2* A 01776 140.947 51.985 105.464 1.00737.35 O ATOM 36926 C1* A 01776 142.949 51.004 106.379 1.00737.35 C ATOM 36927 N9 A 01776 143.501 49.673 106.638 1.00737.35 N ATOM 36928 C8 A 01776 143.732 49.072 107.851 1.00737.35 C ATOM 36929 N7 A 01776 144.240 47.868 107.759 1.00737.35 N ATOM 36930 C5 A 01776 144.351 47.659 106.392 1.00737.35 C ATOM 36931 C6 A 01776 144.822 46.570 105.639 1.00737.35 C ATOM 36932 N6 A 01776 145.294 45.443 106.178 1.00737.35 N ATOM 36933 N1 A 01776 144.796 46.679 104.292 1.00737.35 N ATOM 36934 C2 A 01776 144.327 47.810 103.751 1.00737.35 C ATOM 36935 N3 A 01776 143.858 48.901 104.352 1.00737.35 N ATOM 36936 C4 A 01776 143.898 48.760 105.688 1.00737.35 C ATOM 36937 P A 01777 138.819 51.565 109.030 1.00737.35 P ATOM 36938 O1P A 01777 137.694 52.532 109.064 1.00737.35 O ATOM 36939 O2P A 01777 139.506 51.193 110.292 1.00737.35 O ATOM 36940 O5* A 01777 138.295 50.229 108.332 1.00737.35 O ATOM 36941 C5* A 01777 137.227 49.479 108.909 1.00737.35 C ATOM 36942 C4* A 01777 136.216 49.107 107.849 1.00737.35 C ATOM 36943 O4* A 01777 135.738 50.318 107.207 1.00737.35 O ATOM 36944 C3* A 01777 136.731 48.245 106.707 1.00737.35 C ATOM 36945 O3* A 01777 136.669 46.867 107.072 1.00737.35 O ATOM 36946 C2* A 01777 135.762 48.585 105.580 1.00737.35 C ATOM 36947 O2* A 01777 134.545 47.870 105.659 1.00737.35 O ATOM 36948 C1* A 01777 135.511 50.073 105.830 1.00737.35 C ATOM 36949 N9 A 01777 136.388 50.953 105.053 1.00737.35 N ATOM 36950 C8 A 01777 137.652 51.385 105.377 1.00737.35 C ATOM 36951 N7 A 01777 138.190 52.168 104.476 1.00737.35 N ATOM 36952 C5 A 01777 137.216 52.260 103.490 1.00737.35 C ATOM 36953 C6 A 01777 137.175 52.946 102.264 1.00737.35 C ATOM 36954 N6 A 01777 138.176 53.700 101.802 1.00737.35 N ATOM 36955 N1 A 01777 136.057 52.828 101.516 1.00737.35 N ATOM 36956 C2 A 01777 135.054 52.071 101.979 1.00737.35 C ATOM 36957 N3 A 01777 134.974 51.379 103.112 1.00737.35 N ATOM 36958 C4 A 01777 136.102 51.517 103.832 1.00737.35 C ATOM 36959 P U 01778 137.204 45.736 106.056 1.00737.35 P ATOM 36960 O1P U 01778 136.351 45.782 104.840 1.00737.35 O ATOM 36961 O2P U 01778 137.317 44.469 106.821 1.00737.35 O ATOM 36962 O5* U 01778 138.675 46.209 105.667 1.00737.35 O ATOM 36963 C5* U 01778 139.193 45.996 104.353 1.00737.35 C ATOM 36964 C4* U 01778 140.363 45.042 104.394 1.00737.35 C ATOM 36965 O4* U 01778 141.414 45.609 105.220 1.00737.35 O ATOM 36966 C3* U 01778 140.079 43.681 105.013 1.00737.35 C ATOM 36967 O3* U 01778 139.554 42.787 104.035 1.00737.35 O ATOM 36968 C2* U 01778 141.459 43.246 105.491 1.00737.35 C ATOM 36969 O2* U 01778 142.255 42.692 104.461 1.00737.35 O ATOM 36970 C1* U 01778 142.059 44.579 105.946 1.00737.35 C ATOM 36971 N1 U 01778 141.905 44.846 107.387 1.00737.35 N ATOM 36972 C2 U 01778 142.821 44.274 108.257 1.00737.35 C ATOM 36973 O2 U 01778 143.739 43.558 107.886 1.00737.35 O ATOM 36974 N3 U 01778 142.622 44.573 109.583 1.00737.35 N ATOM 36975 C4 U 01778 141.628 45.364 110.120 1.00737.35 C ATOM 36976 O4 U 01778 141.585 45.539 111.338 1.00737.35 O ATOM 36977 C5 U 01778 140.721 45.913 109.161 1.00737.35 C ATOM 36978 C6 U 01778 140.885 45.644 107.863 1.00737.35 C ATOM 36979 P C 01779 138.466 41.680 104.459 1.00737.35 P ATOM 36980 O1P C 01779 138.181 40.859 103.254 1.00737.35 O ATOM 36981 O2P C 01779 137.349 42.360 105.161 1.00737.35 O ATOM 36982 O5* C 01779 139.233 40.765 105.514 1.00737.35 O ATOM 36983 C5* C 01779 140.315 39.925 105.111 1.00737.35 C ATOM 36984 C4* C 01779 141.033 39.380 106.324 1.00737.35 C ATOM 36985 O4* C 01779 141.594 40.485 107.083 1.00737.35 O ATOM 36986 C3* C 01779 140.167 38.634 107.325 1.00737.35 C ATOM 36987 O3* C 01779 140.007 37.266 106.957 1.00737.35 O ATOM 36988 C2* C 01779 140.967 38.781 108.614 1.00737.35 C ATOM 36989 O2* C 01779 142.042 37.868 108.705 1.00737.35 O ATOM 36990 C1* C 01779 141.504 40.206 108.471 1.00737.35 C ATOM 36991 N1 C 01779 140.638 41.225 109.105 1.00737.35 N ATOM 36992 C2 C 01779 140.755 41.452 110.489 1.00737.35 C ATOM 36993 O2 C 01779 141.580 40.793 111.146 1.00737.35 O ATOM 36994 N3 C 01779 139.964 42.384 111.071 1.00737.35 N ATOM 36995 C4 C 01779 139.088 43.070 110.336 1.00737.35 C ATOM 36996 N4 C 01779 138.327 43.976 110.957 1.00737.35 N ATOM 36997 C5 C 01779 138.948 42.859 108.934 1.00737.35 C ATOM 36998 C6 C 01779 139.735 41.938 108.365 1.00737.35 C ATOM 36999 P A 01780 138.664 36.481 107.364 1.00737.35 P ATOM 37000 O1P A 01780 138.846 35.060 106.968 1.00737.35 O ATOM 37001 O2P A 01780 137.500 37.243 106.843 1.00737.35 O ATOM 37002 O5* A 01780 138.633 36.555 108.956 1.00737.35 O ATOM 37003 C5* A 01780 139.662 35.948 109.740 1.00737.35 C ATOM 37004 C4* A 01780 139.565 36.404 111.178 1.00737.35 C ATOM 37005 O4* A 01780 139.734 37.844 111.237 1.00737.35 O ATOM 37006 C3* A 01780 138.229 36.156 111.863 1.00737.35 C ATOM 37007 O3* A 01780 138.167 34.837 112.396 1.00737.35 O ATOM 37008 C2* A 01780 138.229 37.209 112.963 1.00737.35 C ATOM 37009 O2* A 01780 138.978 36.830 114.101 1.00737.35 O ATOM 37010 C1* A 01780 138.913 38.384 112.262 1.00737.35 C ATOM 37011 N9 A 01780 137.973 39.330 111.654 1.00737.35 N ATOM 37012 C8 A 01780 137.572 39.404 110.342 1.00737.35 C ATOM 37013 N7 A 01780 136.714 40.366 110.105 1.00737.35 N ATOM 37014 C5 A 01780 136.536 40.967 111.341 1.00737.35 C ATOM 37015 C6 A 01780 135.747 42.054 111.761 1.00737.35 C ATOM 37016 N6 A 01780 134.956 42.754 110.944 1.00737.35 N ATOM 37017 N1 A 01780 135.795 42.399 113.065 1.00737.35 N ATOM 37018 C2 A 01780 136.588 41.696 113.883 1.00737.35 C ATOM 37019 N3 A 01780 137.377 40.660 113.610 1.00737.35 N ATOM 37020 C4 A 01780 137.305 40.341 112.305 1.00737.35 C ATOM 37021 P C 01781 136.743 34.103 112.538 1.00737.35 P ATOM 37022 O1P C 01781 136.984 32.803 113.216 1.00737.35 O ATOM 37023 O2P C 01781 136.071 34.123 111.213 1.00737.35 O ATOM 37024 O5* C 01781 135.923 35.043 113.529 1.00737.35 O ATOM 37025 C5* C 01781 136.207 35.065 114.926 1.00737.35 C ATOM 37026 C4* C 01781 135.170 35.883 115.662 1.00737.35 C ATOM 37027 O4* C 01781 135.298 37.280 115.291 1.00737.35 O ATOM 37028 C3* C 01781 133.723 35.542 115.342 1.00737.35 C ATOM 37029 O3* C 01781 133.275 34.439 116.123 1.00737.35 O ATOM 37030 C2* C 01781 132.997 36.831 115.713 1.00737.35 C ATOM 37031 O2* C 01781 132.733 36.943 117.096 1.00737.35 O ATOM 37032 C1* C 01781 134.016 37.894 115.293 1.00737.35 C ATOM 37033 N1 C 01781 133.762 38.474 113.959 1.00737.35 N ATOM 37034 C2 C 01781 132.866 39.553 113.850 1.00737.35 C ATOM 37035 O2 C 01781 132.315 39.989 114.874 1.00737.35 O ATOM 37036 N3 C 01781 132.627 40.090 112.631 1.00737.35 N ATOM 37037 C4 C 01781 133.239 39.597 111.551 1.00737.35 C ATOM 37038 N4 C 01781 132.971 40.160 110.371 1.00737.35 N ATOM 37039 C5 C 01781 134.150 38.506 111.634 1.00737.35 C ATOM 37040 C6 C 01781 134.379 37.980 112.845 1.00737.35 C ATOM 37041 P A 01782 132.786 33.089 115.396 1.00737.35 P ATOM 37042 O1P A 01782 133.818 32.054 115.650 1.00737.35 O ATOM 37043 O2P A 01782 132.394 33.405 113.998 1.00737.35 O ATOM 37044 O5* A 01782 131.469 32.682 116.194 1.00737.35 O ATOM 37045 C5* A 01782 131.498 32.455 117.602 1.00737.35 C ATOM 37046 C4* A 01782 130.399 33.240 118.278 1.00737.35 C ATOM 37047 O4* A 01782 130.657 34.658 118.108 1.00737.35 O ATOM 37048 C3* A 01782 129.006 33.035 117.702 1.00737.35 C ATOM 37049 O3* A 01782 128.373 31.896 118.277 1.00737.35 O ATOM 37050 C2* A 01782 128.304 34.334 118.080 1.00737.35 C ATOM 37051 O2* A 01782 127.846 34.351 119.417 1.00737.35 O ATOM 37052 C1* A 01782 129.435 35.349 117.905 1.00737.35 C ATOM 37053 N9 A 01782 129.474 35.965 116.577 1.00737.35 N ATOM 37054 C8 A 01782 129.821 35.376 115.383 1.00737.35 C ATOM 37055 N7 A 01782 129.757 36.187 114.356 1.00737.35 N ATOM 37056 C5 A 01782 129.339 37.390 114.907 1.00737.35 C ATOM 37057 C6 A 01782 129.081 38.650 114.338 1.00737.35 C ATOM 37058 N6 A 01782 129.210 38.918 113.036 1.00737.35 N ATOM 37059 N1 A 01782 128.681 39.641 115.164 1.00737.35 N ATOM 37060 C2 A 01782 128.551 39.372 116.470 1.00737.35 C ATOM 37061 N3 A 01782 128.764 38.232 117.122 1.00737.35 N ATOM 37062 C4 A 01782 129.160 37.268 116.272 1.00737.35 C ATOM 37063 P G 01783 127.670 30.809 117.324 1.00737.35 P ATOM 37064 O1P G 01783 126.915 29.874 118.199 1.00737.35 O ATOM 37065 O2P G 01783 128.694 30.273 116.392 1.00737.35 O ATOM 37066 O5* G 01783 126.619 31.658 116.476 1.00737.35 O ATOM 37067 C5* G 01783 125.521 32.309 117.111 1.00737.35 C ATOM 37068 C4* G 01783 124.612 32.934 116.079 1.00737.35 C ATOM 37069 O4* G 01783 125.333 33.978 115.368 1.00737.35 O ATOM 37070 C3* G 01783 124.123 32.010 114.975 1.00737.35 C ATOM 37071 O3* G 01783 122.994 31.251 115.390 1.00737.35 O ATOM 37072 C2* G 01783 123.773 32.995 113.867 1.00737.35 C ATOM 37073 O2* G 01783 122.515 33.615 114.050 1.00737.35 O ATOM 37074 C1* G 01783 124.891 34.029 114.020 1.00737.35 C ATOM 37075 N9 G 01783 126.031 33.768 113.144 1.00737.35 N ATOM 37076 C8 G 01783 127.185 33.085 113.456 1.00737.35 C ATOM 37077 N7 G 01783 128.018 33.001 112.454 1.00737.35 N ATOM 37078 C5 G 01783 127.379 33.671 111.419 1.00737.35 C ATOM 37079 C6 G 01783 127.794 33.905 110.081 1.00737.35 C ATOM 37080 O6 G 01783 128.842 33.555 109.526 1.00737.35 O ATOM 37081 N1 G 01783 126.842 34.625 109.369 1.00737.35 N ATOM 37082 C2 G 01783 125.642 35.064 109.874 1.00737.35 C ATOM 37083 N2 G 01783 124.858 35.746 109.027 1.00737.35 N ATOM 37084 N3 G 01783 125.242 34.850 111.116 1.00737.35 N ATOM 37085 C4 G 01783 126.153 34.154 111.828 1.00737.35 C ATOM 37086 P C 01784 122.737 29.794 114.757 1.00737.35 P ATOM 37087 O1P C 01784 121.485 29.267 115.355 1.00737.35 O ATOM 37088 O2P C 01784 123.992 29.007 114.869 1.00737.35 O ATOM 37089 O5* C 01784 122.468 30.088 113.213 1.00737.35 O ATOM 37090 C5* C 01784 121.318 30.821 112.798 1.00737.35 C ATOM 37091 C4* C 01784 121.350 31.059 111.307 1.00737.35 C ATOM 37092 O4* C 01784 122.486 31.898 110.970 1.00737.35 O ATOM 37093 C3* C 01784 121.529 29.832 110.428 1.00737.35 C ATOM 37094 O3* C 01784 120.291 29.156 110.232 1.00737.35 O ATOM 37095 C2* C 01784 122.060 30.439 109.136 1.00737.35 C ATOM 37096 O2* C 01784 121.045 30.982 108.316 1.00737.35 O ATOM 37097 C1* C 01784 122.953 31.565 109.670 1.00737.35 C ATOM 37098 N1 C 01784 124.381 31.200 109.747 1.00737.35 N ATOM 37099 C2 C 01784 125.196 31.412 108.621 1.00737.35 C ATOM 37100 O2 C 01784 124.698 31.907 107.597 1.00737.35 O ATOM 37101 N3 C 01784 126.503 31.069 108.677 1.00737.35 N ATOM 37102 C4 C 01784 127.007 30.540 109.794 1.00737.35 C ATOM 37103 N4 C 01784 128.304 30.216 109.799 1.00737.35 N ATOM 37104 C5 C 01784 126.206 30.317 110.952 1.00737.35 C ATOM 37105 C6 C 01784 124.912 30.658 110.886 1.00737.35 C ATOM 37106 P A 01785 120.287 27.593 109.850 1.00737.35 P ATOM 37107 O1P A 01785 118.874 27.140 109.865 1.00737.35 O ATOM 37108 O2P A 01785 121.289 26.895 110.698 1.00737.35 O ATOM 37109 O5* A 01785 120.804 27.564 108.343 1.00737.35 O ATOM 37110 C5* A 01785 120.045 28.170 107.298 1.00737.35 C ATOM 37111 C4* A 01785 120.820 28.149 106.001 1.00737.35 C ATOM 37112 O4* A 01785 122.025 28.939 106.144 1.00737.35 O ATOM 37113 C3* A 01785 121.320 26.790 105.538 1.00737.35 C ATOM 37114 O3* A 01785 120.297 26.080 104.848 1.00737.35 O ATOM 37115 C2* A 01785 122.472 27.171 104.614 1.00737.35 C ATOM 37116 O2* A 01785 122.045 27.545 103.318 1.00737.35 O ATOM 37117 C1* A 01785 123.055 28.388 105.336 1.00737.35 C ATOM 37118 N9 A 01785 124.204 28.074 106.188 1.00737.35 N ATOM 37119 C8 A 01785 124.217 27.799 107.536 1.00737.35 C ATOM 37120 N7 A 01785 125.414 27.555 108.015 1.00737.35 N ATOM 37121 C5 A 01785 126.246 27.676 106.910 1.00737.35 C ATOM 37122 C6 A 01785 127.636 27.534 106.752 1.00737.35 C ATOM 37123 N6 A 01785 128.469 27.229 107.751 1.00737.35 N ATOM 37124 N1 A 01785 128.150 27.719 105.516 1.00737.35 N ATOM 37125 C2 A 01785 127.316 28.023 104.516 1.00737.35 C ATOM 37126 N3 A 01785 125.995 28.184 104.538 1.00737.35 N ATOM 37127 C4 A 01785 125.515 27.994 105.779 1.00737.35 C ATOM 37128 P C 01786 120.374 24.475 104.736 1.00737.35 P ATOM 37129 O1P C 01786 119.088 24.013 104.155 1.00737.35 O ATOM 37130 O2P C 01786 120.832 23.928 106.039 1.00737.35 O ATOM 37131 O5* C 01786 121.525 24.224 103.660 1.00737.35 O ATOM 37132 C5* C 01786 121.357 24.622 102.300 1.00737.35 C ATOM 37133 C4* C 01786 122.650 24.452 101.537 1.00737.35 C ATOM 37134 O4* C 01786 123.661 25.326 102.104 1.00737.35 O ATOM 37135 C3* C 01786 123.278 23.068 101.593 1.00737.35 C ATOM 37136 O3* C 01786 122.704 22.210 100.610 1.00737.35 O ATOM 37137 C2* C 01786 124.744 23.364 101.301 1.00737.35 C ATOM 37138 O2* C 01786 125.016 23.518 99.922 1.00737.35 O ATOM 37139 C1* C 01786 124.934 24.702 102.018 1.00737.35 C ATOM 37140 N1 C 01786 125.495 24.574 103.379 1.00737.35 N ATOM 37141 C2 C 01786 126.891 24.550 103.538 1.00737.35 C ATOM 37142 O2 C 01786 127.619 24.639 102.533 1.00737.35 O ATOM 37143 N3 C 01786 127.411 24.430 104.780 1.00737.35 N ATOM 37144 C4 C 01786 126.603 24.336 105.838 1.00737.35 C ATOM 37145 N4 C 01786 127.165 24.217 107.043 1.00737.35 N ATOM 37146 C5 C 01786 125.185 24.357 105.707 1.00737.35 C ATOM 37147 C6 C 01786 124.678 24.476 104.472 1.00737.35 C ATOM 37148 P U 01787 122.591 20.630 100.893 1.00737.35 P ATOM 37149 O1P U 01787 121.955 20.012 99.703 1.00737.35 O ATOM 37150 O2P U 01787 121.982 20.437 102.234 1.00737.35 O ATOM 37151 O5* U 01787 124.108 20.143 100.960 1.00737.35 O ATOM 37152 C5* U 01787 124.949 20.201 99.809 1.00737.35 C ATOM 37153 C4* U 01787 126.383 19.906 100.191 1.00737.35 C ATOM 37154 O4* U 01787 126.857 20.932 101.102 1.00737.35 O ATOM 37155 C3* U 01787 126.614 18.602 100.938 1.00737.35 C ATOM 37156 O3* U 01787 126.734 17.508 100.033 1.00737.35 O ATOM 37157 C2* U 01787 127.916 18.882 101.679 1.00737.35 C ATOM 37158 O2* U 01787 129.063 18.730 100.866 1.00737.35 O ATOM 37159 C1* U 01787 127.737 20.355 102.054 1.00737.35 C ATOM 37160 N1 U 01787 127.172 20.554 103.402 1.00737.35 N ATOM 37161 C2 U 01787 128.057 20.639 104.469 1.00737.35 C ATOM 37162 O2 U 01787 129.270 20.559 104.341 1.00737.35 O ATOM 37163 N3 U 01787 127.467 20.818 105.697 1.00737.35 N ATOM 37164 C4 U 01787 126.117 20.922 105.962 1.00737.35 C ATOM 37165 O4 U 01787 125.741 21.084 107.126 1.00737.35 O ATOM 37166 C5 U 01787 125.270 20.827 104.814 1.00737.35 C ATOM 37167 C6 U 01787 125.812 20.652 103.603 1.00737.35 C ATOM 37168 P C 01788 126.286 16.034 100.496 1.00737.35 P ATOM 37169 O1P C 01788 126.062 15.238 99.261 1.00737.35 O ATOM 37170 O2P C 01788 125.192 16.157 101.493 1.00737.35 O ATOM 37171 O5* C 01788 127.569 15.456 101.244 1.00737.35 O ATOM 37172 C5* C 01788 128.681 14.947 100.503 1.00737.35 C ATOM 37173 C4* C 01788 129.770 14.478 101.443 1.00737.35 C ATOM 37174 O4* C 01788 130.292 15.614 102.180 1.00737.35 O ATOM 37175 C3* C 01788 129.342 13.493 102.520 1.00737.35 C ATOM 37176 O3* C 01788 129.338 12.160 102.014 1.00737.35 O ATOM 37177 C2* C 01788 130.414 13.697 103.585 1.00737.35 C ATOM 37178 O2* C 01788 131.616 13.002 103.308 1.00737.35 O ATOM 37179 C1* C 01788 130.658 15.207 103.489 1.00737.35 C ATOM 37180 N1 C 01788 129.880 15.996 104.465 1.00737.35 N ATOM 37181 C2 C 01788 130.448 16.278 105.720 1.00737.35 C ATOM 37182 O2 C 01788 131.589 15.858 105.976 1.00737.35 O ATOM 37183 N3 C 01788 129.738 16.998 106.619 1.00737.35 N ATOM 37184 C4 C 01788 128.513 17.433 106.310 1.00737.35 C ATOM 37185 N4 C 01788 127.852 18.140 107.229 1.00737.35 N ATOM 37186 C5 C 01788 127.912 17.163 105.047 1.00737.35 C ATOM 37187 C6 C 01788 128.622 16.449 104.163 1.00737.35 C ATOM 37188 P U 01789 128.278 11.091 102.587 1.00737.35 P ATOM 37189 O1P U 01789 128.204 9.980 101.602 1.00737.35 O ATOM 37190 O2P U 01789 127.038 11.805 102.978 1.00737.35 O ATOM 37191 O5* U 01789 128.967 10.534 103.911 1.00737.35 O ATOM 37192 C5* U 01789 130.192 9.803 103.851 1.00737.35 C ATOM 37193 C4* U 01789 130.869 9.795 105.202 1.00737.35 C ATOM 37194 O4* U 01789 131.122 11.165 105.610 1.00737.35 O ATOM 37195 C3* U 01789 130.069 9.195 106.351 1.00737.35 C ATOM 37196 O3* U 01789 130.259 7.782 106.403 1.00737.35 O ATOM 37197 C2* U 01789 130.679 9.885 107.566 1.00737.35 C ATOM 37198 O2* U 01789 131.888 9.289 107.995 1.00737.35 O ATOM 37199 C1* U 01789 130.966 11.283 107.013 1.00737.35 C ATOM 37200 N1 U 01789 129.901 12.264 107.289 1.00737.35 N ATOM 37201 C2 U 01789 130.000 13.020 108.449 1.00737.35 C ATOM 37202 O2 U 01789 130.922 12.910 109.242 1.00737.35 O ATOM 37203 N3 U 01789 128.976 13.913 108.646 1.00737.35 N ATOM 37204 C4 U 01789 127.887 14.126 107.825 1.00737.35 C ATOM 37205 O4 U 01789 127.046 14.969 108.140 1.00737.35 O ATOM 37206 C5 U 01789 127.855 13.310 106.653 1.00737.35 C ATOM 37207 C6 U 01789 128.835 12.429 106.429 1.00737.35 C ATOM 37208 P G 01790 129.020 6.809 106.750 1.00737.35 P ATOM 37209 O1P G 01790 129.467 5.421 106.463 1.00737.35 O ATOM 37210 O2P G 01790 127.800 7.338 106.090 1.00737.35 O ATOM 37211 O5* G 01790 128.830 6.943 108.328 1.00737.35 O ATOM 37212 C5* G 01790 129.946 7.156 109.192 1.00737.35 C ATOM 37213 C4* G 01790 129.534 7.005 110.639 1.00737.35 C ATOM 37214 O4* G 01790 128.374 7.844 110.890 1.00737.35 O ATOM 37215 C3* G 01790 129.087 5.620 111.077 1.00737.35 C ATOM 37216 O3* G 01790 130.210 4.812 111.417 1.00737.35 O ATOM 37217 C2* G 01790 128.227 5.931 112.297 1.00737.35 C ATOM 37218 O2* G 01790 128.985 6.166 113.467 1.00737.35 O ATOM 37219 C1* G 01790 127.540 7.227 111.858 1.00737.35 C ATOM 37220 N9 G 01790 126.222 7.005 111.268 1.00737.35 N ATOM 37221 C8 G 01790 125.942 6.499 110.018 1.00737.35 C ATOM 37222 N7 G 01790 124.662 6.407 109.779 1.00737.35 N ATOM 37223 C5 G 01790 124.060 6.884 110.937 1.00737.35 C ATOM 37224 C6 G 01790 122.687 7.028 111.267 1.00737.35 C ATOM 37225 O6 G 01790 121.695 6.748 110.583 1.00737.35 O ATOM 37226 N1 G 01790 122.523 7.553 112.545 1.00737.35 N ATOM 37227 C2 G 01790 123.541 7.898 113.396 1.00737.35 C ATOM 37228 N2 G 01790 123.178 8.398 114.585 1.00737.35 N ATOM 37229 N3 G 01790 124.824 7.768 113.102 1.00737.35 N ATOM 37230 C4 G 01790 125.009 7.257 111.865 1.00737.35 C ATOM 37231 P C 01791 130.011 3.244 111.712 1.00737.35 P ATOM 37232 O1P C 01791 129.444 2.628 110.483 1.00737.35 O ATOM 37233 O2P C 01791 129.286 3.104 113.000 1.00737.35 O ATOM 37234 O5* C 01791 131.496 2.702 111.923 1.00737.35 O ATOM 37235 C5* C 01791 132.204 2.065 110.861 1.00737.35 C ATOM 37236 C4* C 01791 133.628 2.571 110.801 1.00737.35 C ATOM 37237 O4* C 01791 133.615 3.998 110.530 1.00737.35 O ATOM 37238 C3* C 01791 134.447 2.439 112.078 1.00737.35 C ATOM 37239 O3* C 01791 135.028 1.141 112.182 1.00737.35 O ATOM 37240 C2* C 01791 135.508 3.515 111.890 1.00737.35 C ATOM 37241 O2* C 01791 136.577 3.091 111.068 1.00737.35 O ATOM 37242 C1* C 01791 134.712 4.615 111.185 1.00737.35 C ATOM 37243 N1 C 01791 134.205 5.670 112.093 1.00737.35 N ATOM 37244 C2 C 01791 135.120 6.589 112.642 1.00737.35 C ATOM 37245 O2 C 01791 136.327 6.483 112.368 1.00737.35 O ATOM 37246 N3 C 01791 134.663 7.566 113.458 1.00737.35 N ATOM 37247 C4 C 01791 133.360 7.648 113.736 1.00737.35 C ATOM 37248 N4 C 01791 132.956 8.636 114.541 1.00737.35 N ATOM 37249 C5 C 01791 132.414 6.726 113.203 1.00737.35 C ATOM 37250 C6 C 01791 132.876 5.763 112.396 1.00737.35 C ATOM 37251 P C 01792 135.923 0.766 113.466 1.00737.35 P ATOM 37252 O1P C 01792 136.226 -0.685 113.379 1.00737.35 O ATOM 37253 O2P C 01792 135.251 1.300 114.680 1.00737.35 O ATOM 37254 O5* C 01792 137.286 1.564 113.231 1.00737.35 O ATOM 37255 C5* C 01792 137.742 2.544 114.164 1.00737.35 C ATOM 37256 C4* C 01792 139.219 2.810 113.970 1.00737.35 C ATOM 37257 O4* C 01792 139.939 1.554 114.106 1.00737.35 O ATOM 37258 C3* C 01792 139.651 3.347 112.612 1.00737.35 C ATOM 37259 O3* C 01792 139.514 4.771 112.558 1.00737.35 O ATOM 37260 C2* C 01792 141.111 2.910 112.548 1.00737.35 C ATOM 37261 O2* C 01792 141.977 3.759 113.275 1.00737.35 O ATOM 37262 C1* C 01792 141.046 1.537 113.218 1.00737.35 C ATOM 37263 N1 C 01792 140.871 0.428 112.258 1.00737.35 N ATOM 37264 C2 C 01792 142.010 -0.146 111.667 1.00737.35 C ATOM 37265 O2 C 01792 143.134 0.282 111.974 1.00737.35 O ATOM 37266 N3 C 01792 141.855 -1.153 110.778 1.00737.35 N ATOM 37267 C4 C 01792 140.631 -1.592 110.471 1.00737.35 C ATOM 37268 N4 C 01792 140.526 -2.585 109.583 1.00737.35 N ATOM 37269 C5 C 01792 139.461 -1.033 111.057 1.00737.35 C ATOM 37270 C6 C 01792 139.624 -0.036 111.937 1.00737.35 C ATOM 37271 P A 01793 139.946 5.577 111.228 1.00737.35 P ATOM 37272 O1P A 01793 140.576 4.628 110.271 1.00737.35 O ATOM 37273 O2P A 01793 140.704 6.779 111.664 1.00737.35 O ATOM 37274 O5* A 01793 138.572 6.077 110.595 1.00737.35 O ATOM 37275 C5* A 01793 137.852 5.269 109.664 1.00737.35 C ATOM 37276 C4* A 01793 136.931 6.123 108.821 1.00737.35 C ATOM 37277 O4* A 01793 135.967 6.785 109.682 1.00737.35 O ATOM 37278 C3* A 01793 137.584 7.258 108.048 1.00737.35 C ATOM 37279 O3* A 01793 138.124 6.791 106.818 1.00737.35 O ATOM 37280 C2* A 01793 136.413 8.213 107.832 1.00737.35 C ATOM 37281 O2* A 01793 135.577 7.831 106.756 1.00737.35 O ATOM 37282 C1* A 01793 135.652 8.064 109.151 1.00737.35 C ATOM 37283 N9 A 01793 136.003 9.076 110.147 1.00737.35 N ATOM 37284 C8 A 01793 137.084 9.092 110.997 1.00737.35 C ATOM 37285 N7 A 01793 137.126 10.144 111.778 1.00737.35 N ATOM 37286 C5 A 01793 136.001 10.870 111.421 1.00737.35 C ATOM 37287 C6 A 01793 135.480 12.093 111.883 1.00737.35 C ATOM 37288 N6 A 01793 136.048 12.827 112.842 1.00737.35 N ATOM 37289 N1 A 01793 134.338 12.542 111.315 1.00737.35 N ATOM 37290 C2 A 01793 133.770 11.807 110.351 1.00737.35 C ATOM 37291 N3 A 01793 134.164 10.646 109.833 1.00737.35 N ATOM 37292 C4 A 01793 135.299 10.228 110.416 1.00737.35 C ATOM 37293 P A 01794 139.217 7.677 106.039 1.00737.35 P ATOM 37294 O1P A 01794 139.696 6.874 104.884 1.00737.35 O ATOM 37295 O2P A 01794 140.200 8.199 107.025 1.00737.35 O ATOM 37296 O5* A 01794 138.379 8.910 105.474 1.00737.35 O ATOM 37297 C5* A 01794 137.386 8.720 104.467 1.00737.35 C ATOM 37298 C4* A 01794 136.657 10.017 104.198 1.00737.35 C ATOM 37299 O4* A 01794 135.916 10.416 105.383 1.00737.35 O ATOM 37300 C3* A 01794 137.539 11.215 103.887 1.00737.35 C ATOM 37301 O3* A 01794 137.909 11.243 102.514 1.00737.35 O ATOM 37302 C2* A 01794 136.634 12.385 104.254 1.00737.35 C ATOM 37303 O2* A 01794 135.697 12.704 103.243 1.00737.35 O ATOM 37304 C1* A 01794 135.904 11.832 105.483 1.00737.35 C ATOM 37305 N9 A 01794 136.530 12.215 106.749 1.00737.35 N ATOM 37306 C8 A 01794 137.455 11.516 107.488 1.00737.35 C ATOM 37307 N7 A 01794 137.829 12.128 108.585 1.00737.35 N ATOM 37308 C5 A 01794 137.103 13.310 108.571 1.00737.35 C ATOM 37309 C6 A 01794 137.047 14.396 109.463 1.00737.35 C ATOM 37310 N6 A 01794 137.769 14.471 110.586 1.00737.35 N ATOM 37311 N1 A 01794 136.220 15.419 109.157 1.00737.35 N ATOM 37312 C2 A 01794 135.500 15.343 108.031 1.00737.35 C ATOM 37313 N3 A 01794 135.462 14.379 107.116 1.00737.35 N ATOM 37314 C4 A 01794 136.297 13.379 107.448 1.00737.35 C ATOM 37315 P C 01795 139.451 11.447 102.108 1.00737.35 P ATOM 37316 O1P C 01795 139.486 11.804 100.666 1.00737.35 O ATOM 37317 O2P C 01795 140.217 10.270 102.590 1.00737.35 O ATOM 37318 O5* C 01795 139.909 12.720 102.952 1.00737.35 O ATOM 37319 C5* C 01795 139.363 14.011 102.687 1.00737.35 C ATOM 37320 C4* C 01795 139.878 15.016 103.691 1.00737.35 C ATOM 37321 O4* C 01795 139.380 14.682 105.016 1.00737.35 O ATOM 37322 C3* C 01795 141.388 15.061 103.868 1.00737.35 C ATOM 37323 O3* C 01795 142.007 15.859 102.864 1.00737.35 O ATOM 37324 C2* C 01795 141.530 15.672 105.257 1.00737.35 C ATOM 37325 O2* C 01795 141.385 17.078 105.266 1.00737.35 O ATOM 37326 C1* C 01795 140.354 15.020 105.992 1.00737.35 C ATOM 37327 N1 C 01795 140.736 13.801 106.732 1.00737.35 N ATOM 37328 C2 C 01795 141.256 13.929 108.034 1.00737.35 C ATOM 37329 O2 C 01795 141.379 15.063 108.528 1.00737.35 O ATOM 37330 N3 C 01795 141.612 12.815 108.714 1.00737.35 N ATOM 37331 C4 C 01795 141.466 11.613 108.151 1.00737.35 C ATOM 37332 N4 C 01795 141.836 10.545 108.862 1.00737.35 N ATOM 37333 C5 C 01795 140.939 11.453 106.838 1.00737.35 C ATOM 37334 C6 C 01795 140.590 12.560 106.171 1.00737.35 C ATOM 37335 P A 01796 143.507 15.522 102.393 1.00737.35 P ATOM 37336 O1P A 01796 143.876 16.515 101.353 1.00737.35 O ATOM 37337 O2P A 01796 143.584 14.071 102.083 1.00737.35 O ATOM 37338 O5* A 01796 144.387 15.802 103.692 1.00737.35 O ATOM 37339 C5* A 01796 144.588 17.132 104.166 1.00737.35 C ATOM 37340 C4* A 01796 145.526 17.137 105.352 1.00737.35 C ATOM 37341 O4* A 01796 144.892 16.482 106.483 1.00737.35 O ATOM 37342 C3* A 01796 146.833 16.380 105.179 1.00737.35 C ATOM 37343 O3* A 01796 147.795 17.165 104.484 1.00737.35 O ATOM 37344 C2* A 01796 147.242 16.115 106.624 1.00737.35 C ATOM 37345 O2* A 01796 147.872 17.226 107.236 1.00737.35 O ATOM 37346 C1* A 01796 145.885 15.861 107.287 1.00737.35 C ATOM 37347 N9 A 01796 145.560 14.439 107.426 1.00737.35 N ATOM 37348 C8 A 01796 144.801 13.648 106.600 1.00737.35 C ATOM 37349 N7 A 01796 144.700 12.405 107.003 1.00737.35 N ATOM 37350 C5 A 01796 145.443 12.372 108.176 1.00737.35 C ATOM 37351 C6 A 01796 145.730 11.339 109.088 1.00737.35 C ATOM 37352 N6 A 01796 145.287 10.086 108.960 1.00737.35 N ATOM 37353 N1 A 01796 146.502 11.643 110.155 1.00737.35 N ATOM 37354 C2 A 01796 146.948 12.899 110.287 1.00737.35 C ATOM 37355 N3 A 01796 146.747 13.951 109.502 1.00737.35 N ATOM 37356 C4 A 01796 145.976 13.619 108.449 1.00737.35 C ATOM 37357 P C 01797 148.962 16.441 103.645 1.00737.35 P ATOM 37358 O1P C 01797 149.594 17.475 102.789 1.00737.35 O ATOM 37359 O2P C 01797 148.405 15.213 103.018 1.00737.35 O ATOM 37360 O5* C 01797 150.014 15.999 104.756 1.00737.35 O ATOM 37361 C5* C 01797 150.798 16.970 105.446 1.00737.35 C ATOM 37362 C4* C 01797 151.645 16.310 106.511 1.00737.35 C ATOM 37363 O4* C 01797 150.785 15.717 107.519 1.00737.35 O ATOM 37364 C3* C 01797 152.520 15.155 106.054 1.00737.35 C ATOM 37365 O3* C 01797 153.736 15.614 105.474 1.00737.35 O ATOM 37366 C2* C 01797 152.771 14.412 107.362 1.00737.35 C ATOM 37367 O2* C 01797 153.794 14.996 108.146 1.00737.35 O ATOM 37368 C1* C 01797 151.421 14.573 108.069 1.00737.35 C ATOM 37369 N1 C 01797 150.538 13.401 107.903 1.00737.35 N ATOM 37370 C2 C 01797 150.665 12.329 108.804 1.00737.35 C ATOM 37371 O2 C 01797 151.500 12.404 109.721 1.00737.35 O ATOM 37372 N3 C 01797 149.875 11.241 108.653 1.00737.35 N ATOM 37373 C4 C 01797 148.986 11.194 107.659 1.00737.35 C ATOM 37374 N4 C 01797 148.237 10.095 107.545 1.00737.35 N ATOM 37375 C5 C 01797 148.831 12.269 106.734 1.00737.35 C ATOM 37376 C6 C 01797 149.619 13.341 106.892 1.00737.35 C ATOM 37377 P G 01798 154.363 14.836 104.213 1.00737.35 P ATOM 37378 O1P G 01798 155.743 15.349 104.020 1.00737.35 O ATOM 37379 O2P G 01798 153.390 14.909 103.092 1.00737.35 O ATOM 37380 O5* G 01798 154.454 13.319 104.695 1.00737.35 O ATOM 37381 C5* G 01798 155.289 12.944 105.790 1.00737.35 C ATOM 37382 C4* G 01798 155.025 11.507 106.184 1.00737.35 C ATOM 37383 O4* G 01798 153.648 11.373 106.622 1.00737.35 O ATOM 37384 C3* G 01798 155.167 10.479 105.074 1.00737.35 C ATOM 37385 O3* G 01798 156.528 10.091 104.915 1.00737.35 O ATOM 37386 C2* G 01798 154.303 9.331 105.585 1.00737.35 C ATOM 37387 O2* G 01798 154.959 8.521 106.541 1.00737.35 O ATOM 37388 C1* G 01798 153.156 10.090 106.262 1.00737.35 C ATOM 37389 N9 G 01798 151.983 10.258 105.407 1.00737.35 N ATOM 37390 C8 G 01798 151.691 11.326 104.593 1.00737.35 C ATOM 37391 N7 G 01798 150.563 11.187 103.950 1.00737.35 N ATOM 37392 C5 G 01798 150.080 9.953 104.364 1.00737.35 C ATOM 37393 C6 G 01798 148.895 9.260 104.006 1.00737.35 C ATOM 37394 O6 G 01798 148.002 9.613 103.227 1.00737.35 O ATOM 37395 N1 G 01798 148.799 8.036 104.660 1.00737.35 N ATOM 37396 C2 G 01798 149.722 7.539 105.546 1.00737.35 C ATOM 37397 N2 G 01798 149.452 6.338 106.072 1.00737.35 N ATOM 37398 N3 G 01798 150.831 8.172 105.889 1.00737.35 N ATOM 37399 C4 G 01798 150.946 9.365 105.264 1.00737.35 C ATOM 37400 P A 01799 157.228 10.197 103.471 1.00737.35 P ATOM 37401 O1P A 01799 158.693 10.275 103.702 1.00737.35 O ATOM 37402 O2P A 01799 156.553 11.273 102.695 1.00737.35 O ATOM 37403 O5* A 01799 156.917 8.798 102.776 1.00737.35 O ATOM 37404 C5* A 01799 156.798 8.702 101.355 1.00737.35 C ATOM 37405 C4* A 01799 157.733 7.645 100.813 1.00737.35 C ATOM 37406 O4* A 01799 159.100 7.972 101.179 1.00737.35 O ATOM 37407 C3* A 01799 157.535 6.224 101.319 1.00737.35 C ATOM 37408 O3* A 01799 156.490 5.596 100.574 1.00737.35 O ATOM 37409 C2* A 01799 158.906 5.603 101.065 1.00737.35 C ATOM 37410 O2* A 01799 159.096 5.200 99.723 1.00737.35 O ATOM 37411 C1* A 01799 159.839 6.779 101.377 1.00737.35 C ATOM 37412 N9 A 01799 160.356 6.774 102.748 1.00737.35 N ATOM 37413 C8 A 01799 159.860 7.441 103.841 1.00737.35 C ATOM 37414 N7 A 01799 160.540 7.237 104.942 1.00737.35 N ATOM 37415 C5 A 01799 161.554 6.373 104.550 1.00737.35 C ATOM 37416 C6 A 01799 162.613 5.775 105.257 1.00737.35 C ATOM 37417 N6 A 01799 162.831 5.963 106.560 1.00737.35 N ATOM 37418 N1 A 01799 163.447 4.966 104.570 1.00737.35 N ATOM 37419 C2 A 01799 163.227 4.777 103.264 1.00737.35 C ATOM 37420 N3 A 01799 162.269 5.282 102.489 1.00737.35 N ATOM 37421 C4 A 01799 161.455 6.081 103.201 1.00737.35 C ATOM 37422 P A 01800 156.174 4.027 100.769 1.00737.35 P ATOM 37423 O1P A 01800 157.253 3.263 100.091 1.00737.35 O ATOM 37424 O2P A 01800 154.760 3.800 100.377 1.00737.35 O ATOM 37425 O5* A 01800 156.296 3.766 102.336 1.00737.35 O ATOM 37426 C5* A 01800 156.221 2.435 102.854 1.00737.35 C ATOM 37427 C4* A 01800 155.908 2.451 104.332 1.00737.35 C ATOM 37428 O4* A 01800 156.992 3.094 105.051 1.00737.35 O ATOM 37429 C3* A 01800 154.673 3.232 104.747 1.00737.35 C ATOM 37430 O3* A 01800 153.499 2.441 104.596 1.00737.35 O ATOM 37431 C2* A 01800 154.958 3.529 106.216 1.00737.35 C ATOM 37432 O2* A 01800 154.644 2.448 107.072 1.00737.35 O ATOM 37433 C1* A 01800 156.475 3.749 106.197 1.00737.35 C ATOM 37434 N9 A 01800 156.867 5.158 106.145 1.00737.35 N ATOM 37435 C8 A 01800 156.750 6.036 105.094 1.00737.35 C ATOM 37436 N7 A 01800 157.192 7.239 105.360 1.00737.35 N ATOM 37437 C5 A 01800 157.630 7.151 106.674 1.00737.35 C ATOM 37438 C6 A 01800 158.211 8.091 107.544 1.00737.35 C ATOM 37439 N6 A 01800 158.458 9.359 107.207 1.00737.35 N ATOM 37440 N1 A 01800 158.531 7.680 108.790 1.00737.35 N ATOM 37441 C2 A 01800 158.285 6.409 109.129 1.00737.35 C ATOM 37442 N3 A 01800 157.743 5.432 108.402 1.00737.35 N ATOM 37443 C4 A 01800 157.437 5.874 107.171 1.00737.35 C ATOM 37444 P C 01801 152.160 3.107 104.007 1.00737.35 P ATOM 37445 O1P C 01801 152.382 3.346 102.558 1.00737.35 O ATOM 37446 O2P C 01801 151.770 4.239 104.886 1.00737.35 O ATOM 37447 O5* C 01801 151.065 1.961 104.153 1.00737.35 O ATOM 37448 C5* C 01801 150.607 1.547 105.438 1.00737.35 C ATOM 37449 C4* C 01801 149.251 0.898 105.324 1.00737.35 C ATOM 37450 O4* C 01801 149.343 -0.243 104.431 1.00737.35 O ATOM 37451 C3* C 01801 148.700 0.321 106.616 1.00737.35 C ATOM 37452 O3* C 01801 148.043 1.325 107.383 1.00737.35 O ATOM 37453 C2* C 01801 147.738 -0.748 106.111 1.00737.35 C ATOM 37454 O2* C 01801 146.492 -0.222 105.696 1.00737.35 O ATOM 37455 C1* C 01801 148.502 -1.287 104.898 1.00737.35 C ATOM 37456 N1 C 01801 149.337 -2.468 105.197 1.00737.35 N ATOM 37457 C2 C 01801 148.791 -3.751 105.015 1.00737.35 C ATOM 37458 O2 C 01801 147.620 -3.858 104.613 1.00737.35 O ATOM 37459 N3 C 01801 149.554 -4.836 105.281 1.00737.35 N ATOM 37460 C4 C 01801 150.807 -4.683 105.713 1.00737.35 C ATOM 37461 N4 C 01801 151.522 -5.785 105.957 1.00737.35 N ATOM 37462 C5 C 01801 151.383 -3.397 105.913 1.00737.35 C ATOM 37463 C6 C 01801 150.623 -2.328 105.646 1.00737.35 C ATOM 37464 P A 01802 148.147 1.298 108.987 1.00737.35 P ATOM 37465 O1P A 01802 147.493 0.044 109.445 1.00737.35 O ATOM 37466 O2P A 01802 147.674 2.604 109.513 1.00737.35 O ATOM 37467 O5* A 01802 149.713 1.197 109.271 1.00737.35 O ATOM 37468 C5* A 01802 150.318 -0.040 109.641 1.00737.35 C ATOM 37469 C4* A 01802 151.482 0.204 110.572 1.00737.35 C ATOM 37470 O4* A 01802 152.515 0.942 109.868 1.00737.35 O ATOM 37471 C3* A 01802 151.172 1.067 111.787 1.00737.35 C ATOM 37472 O3* A 01802 150.615 0.287 112.841 1.00737.35 O ATOM 37473 C2* A 01802 152.545 1.618 112.152 1.00737.35 C ATOM 37474 O2* A 01802 153.330 0.713 112.902 1.00737.35 O ATOM 37475 C1* A 01802 153.171 1.820 110.770 1.00737.35 C ATOM 37476 N9 A 01802 153.050 3.190 110.265 1.00737.35 N ATOM 37477 C8 A 01802 152.097 3.709 109.417 1.00737.35 C ATOM 37478 N7 A 01802 152.262 4.982 109.156 1.00737.35 N ATOM 37479 C5 A 01802 153.396 5.327 109.878 1.00737.35 C ATOM 37480 C6 A 01802 154.094 6.540 110.023 1.00737.35 C ATOM 37481 N6 A 01802 153.736 7.678 109.425 1.00737.35 N ATOM 37482 N1 A 01802 155.188 6.543 110.817 1.00737.35 N ATOM 37483 C2 A 01802 155.547 5.402 111.418 1.00737.35 C ATOM 37484 N3 A 01802 154.975 4.203 111.359 1.00737.35 N ATOM 37485 C4 A 01802 153.891 4.233 110.564 1.00737.35 C ATOM 37486 P G 01803 149.305 0.813 113.615 1.00737.35 P ATOM 37487 O1P G 01803 149.057 -0.120 114.744 1.00737.35 O ATOM 37488 O2P G 01803 148.235 1.053 112.614 1.00737.35 O ATOM 37489 O5* G 01803 149.751 2.221 114.218 1.00737.35 O ATOM 37490 C5* G 01803 150.755 2.298 115.227 1.00737.35 C ATOM 37491 C4* G 01803 151.258 3.718 115.365 1.00737.35 C ATOM 37492 O4* G 01803 151.864 4.142 114.115 1.00737.35 O ATOM 37493 C3* G 01803 150.206 4.783 115.640 1.00737.35 C ATOM 37494 O3* G 01803 149.879 4.841 117.027 1.00737.35 O ATOM 37495 C2* G 01803 150.910 6.048 115.168 1.00737.35 C ATOM 37496 O2* G 01803 151.834 6.557 116.110 1.00737.35 O ATOM 37497 C1* G 01803 151.659 5.535 113.937 1.00737.35 C ATOM 37498 N9 G 01803 150.925 5.748 112.691 1.00737.35 N ATOM 37499 C8 G 01803 150.112 4.853 112.035 1.00737.35 C ATOM 37500 N7 G 01803 149.586 5.343 110.944 1.00737.35 N ATOM 37501 C5 G 01803 150.081 6.638 110.875 1.00737.35 C ATOM 37502 C6 G 01803 149.857 7.657 109.911 1.00737.35 C ATOM 37503 O6 G 01803 149.152 7.618 108.894 1.00737.35 O ATOM 37504 N1 G 01803 150.554 8.819 110.225 1.00737.35 N ATOM 37505 C2 G 01803 151.363 8.982 111.321 1.00737.35 C ATOM 37506 N2 G 01803 151.951 10.182 111.450 1.00737.35 N ATOM 37507 N3 G 01803 151.579 8.044 112.227 1.00737.35 N ATOM 37508 C4 G 01803 150.911 6.904 111.944 1.00737.35 C ATOM 37509 P U 01804 148.459 5.439 117.488 1.00737.35 P ATOM 37510 O1P U 01804 148.346 5.227 118.954 1.00737.35 O ATOM 37511 O2P U 01804 147.404 4.904 116.586 1.00737.35 O ATOM 37512 O5* U 01804 148.595 7.005 117.222 1.00737.35 O ATOM 37513 C5* U 01804 149.612 7.770 117.864 1.00737.35 C ATOM 37514 C4* U 01804 149.722 9.142 117.233 1.00737.35 C ATOM 37515 O4* U 01804 150.044 9.001 115.824 1.00737.35 O ATOM 37516 C3* U 01804 148.460 9.990 117.237 1.00737.35 C ATOM 37517 O3* U 01804 148.302 10.660 118.484 1.00737.35 O ATOM 37518 C2* U 01804 148.732 10.967 116.098 1.00737.35 C ATOM 37519 O2* U 01804 149.564 12.046 116.477 1.00737.35 O ATOM 37520 C1* U 01804 149.468 10.074 115.097 1.00737.35 C ATOM 37521 N1 U 01804 148.595 9.527 114.042 1.00737.35 N ATOM 37522 C2 U 01804 148.434 10.279 112.886 1.00737.35 C ATOM 37523 O2 U 01804 148.984 11.353 112.705 1.00737.35 O ATOM 37524 N3 U 01804 147.603 9.723 111.946 1.00737.35 N ATOM 37525 C4 U 01804 146.928 8.522 112.034 1.00737.35 C ATOM 37526 O4 U 01804 146.204 8.166 111.102 1.00737.35 O ATOM 37527 C5 U 01804 147.144 7.804 113.252 1.00737.35 C ATOM 37528 C6 U 01804 147.951 8.316 114.193 1.00737.35 C ATOM 37529 P G 01805 146.853 11.212 118.916 1.00737.35 P ATOM 37530 O1P G 01805 146.962 11.678 120.323 1.00737.35 O ATOM 37531 O2P G 01805 145.832 10.193 118.560 1.00737.35 O ATOM 37532 O5* G 01805 146.632 12.485 117.982 1.00737.35 O ATOM 37533 C5* G 01805 147.437 13.654 118.136 1.00737.35 C ATOM 37534 C4* G 01805 147.016 14.716 117.144 1.00737.35 C ATOM 37535 O4* G 01805 147.269 14.248 115.795 1.00737.35 O ATOM 37536 C3* G 01805 145.537 15.073 117.151 1.00737.35 C ATOM 37537 O3* G 01805 145.257 16.049 118.153 1.00737.35 O ATOM 37538 C2* G 01805 145.326 15.626 115.746 1.00737.35 C ATOM 37539 O2* G 01805 145.721 16.977 115.619 1.00737.35 O ATOM 37540 C1* G 01805 146.262 14.738 114.922 1.00737.35 C ATOM 37541 N9 G 01805 145.603 13.598 114.292 1.00737.35 N ATOM 37542 C8 G 01805 145.586 12.294 114.734 1.00737.35 C ATOM 37543 N7 G 01805 144.923 11.493 113.946 1.00737.35 N ATOM 37544 C5 G 01805 144.468 12.313 112.924 1.00737.35 C ATOM 37545 C6 G 01805 143.692 12.005 111.776 1.00737.35 C ATOM 37546 O6 G 01805 143.242 10.909 111.419 1.00737.35 O ATOM 37547 N1 G 01805 143.454 13.137 111.003 1.00737.35 N ATOM 37548 C2 G 01805 143.905 14.400 111.291 1.00737.35 C ATOM 37549 N2 G 01805 143.566 15.362 110.416 1.00737.35 N ATOM 37550 N3 G 01805 144.634 14.702 112.353 1.00737.35 N ATOM 37551 C4 G 01805 144.876 13.616 113.122 1.00737.35 C ATOM 37552 P G 01806 143.908 15.944 119.017 1.00737.35 P ATOM 37553 O1P G 01806 143.847 17.146 119.887 1.00737.35 O ATOM 37554 O2P G 01806 143.852 14.591 119.631 1.00737.35 O ATOM 37555 O5* G 01806 142.744 16.063 117.934 1.00737.35 O ATOM 37556 C5* G 01806 141.467 15.476 118.163 1.00737.35 C ATOM 37557 C4* G 01806 140.626 15.556 116.911 1.00737.35 C ATOM 37558 O4* G 01806 141.375 15.013 115.792 1.00737.35 O ATOM 37559 C3* G 01806 139.337 14.748 116.940 1.00737.35 C ATOM 37560 O3* G 01806 138.283 15.483 117.557 1.00737.35 O ATOM 37561 C2* G 01806 139.081 14.492 115.459 1.00737.35 C ATOM 37562 O2* G 01806 138.480 15.590 114.799 1.00737.35 O ATOM 37563 C1* G 01806 140.505 14.286 114.938 1.00737.35 C ATOM 37564 N9 G 01806 140.934 12.889 114.933 1.00737.35 N ATOM 37565 C8 G 01806 141.580 12.216 115.943 1.00737.35 C ATOM 37566 N7 G 01806 141.836 10.971 115.646 1.00737.35 N ATOM 37567 C5 G 01806 141.328 10.810 114.365 1.00737.35 C ATOM 37568 C6 G 01806 141.312 9.671 113.521 1.00737.35 C ATOM 37569 O6 G 01806 141.760 8.539 113.741 1.00737.35 O ATOM 37570 N1 G 01806 140.697 9.946 112.303 1.00737.35 N ATOM 37571 C2 G 01806 140.166 11.160 111.942 1.00737.35 C ATOM 37572 N2 G 01806 139.615 11.225 110.723 1.00737.35 N ATOM 37573 N3 G 01806 140.173 12.228 112.719 1.00737.35 N ATOM 37574 C4 G 01806 140.766 11.984 113.909 1.00737.35 C ATOM 37575 P A 01807 136.976 14.714 118.091 1.00737.35 P ATOM 37576 O1P A 01807 136.235 14.228 116.901 1.00737.35 O ATOM 37577 O2P A 01807 136.289 15.598 119.070 1.00737.35 O ATOM 37578 O5* A 01807 137.555 13.442 118.860 1.00737.35 O ATOM 37579 C5* A 01807 137.589 13.382 120.284 1.00737.35 C ATOM 37580 C4* A 01807 138.675 12.436 120.740 1.00737.35 C ATOM 37581 O4* A 01807 138.393 11.103 120.252 1.00737.35 O ATOM 37582 C3* A 01807 140.063 12.781 120.229 1.00737.35 C ATOM 37583 O3* A 01807 140.636 13.820 121.046 1.00737.35 O ATOM 37584 C2* A 01807 140.766 11.425 120.079 1.00737.35 C ATOM 37585 O2* A 01807 141.520 10.947 121.171 1.00737.35 O ATOM 37586 C1* A 01807 139.587 10.480 119.820 1.00737.35 C ATOM 37587 N9 A 01807 139.401 10.057 118.430 1.00737.35 N ATOM 37588 C8 A 01807 138.908 10.788 117.378 1.00737.35 C ATOM 37589 N7 A 01807 138.831 10.115 116.256 1.00737.35 N ATOM 37590 C5 A 01807 139.311 8.856 116.589 1.00737.35 C ATOM 37591 C6 A 01807 139.482 7.678 115.841 1.00737.35 C ATOM 37592 N6 A 01807 139.170 7.571 114.547 1.00737.35 N ATOM 37593 N1 A 01807 139.989 6.597 116.474 1.00737.35 N ATOM 37594 C2 A 01807 140.295 6.705 117.771 1.00737.35 C ATOM 37595 N3 A 01807 140.178 7.751 118.585 1.00737.35 N ATOM 37596 C4 A 01807 139.673 8.808 117.923 1.00737.35 C ATOM 37597 P C 01808 141.483 13.473 122.379 1.00737.35 P ATOM 37598 O1P C 01808 141.199 14.556 123.358 1.00737.35 O ATOM 37599 O2P C 01808 142.888 13.203 121.980 1.00737.35 O ATOM 37600 O5* C 01808 140.864 12.122 122.956 1.00737.35 O ATOM 37601 C5* C 01808 139.628 12.089 123.671 1.00737.35 C ATOM 37602 C4* C 01808 139.067 10.682 123.645 1.00737.35 C ATOM 37603 O4* C 01808 140.088 9.760 124.101 1.00737.35 O ATOM 37604 C3* C 01808 137.868 10.395 124.537 1.00737.35 C ATOM 37605 O3* C 01808 136.651 10.763 123.889 1.00737.35 O ATOM 37606 C2* C 01808 137.970 8.884 124.733 1.00737.35 C ATOM 37607 O2* C 01808 137.436 8.144 123.651 1.00737.35 O ATOM 37608 C1* C 01808 139.487 8.682 124.798 1.00737.35 C ATOM 37609 N1 C 01808 140.025 8.643 126.172 1.00737.35 N ATOM 37610 C2 C 01808 140.156 7.400 126.816 1.00737.35 C ATOM 37611 O2 C 01808 139.819 6.366 126.214 1.00737.35 O ATOM 37612 N3 C 01808 140.646 7.358 128.074 1.00737.35 N ATOM 37613 C4 C 01808 141.000 8.488 128.693 1.00737.35 C ATOM 37614 N4 C 01808 141.480 8.398 129.934 1.00737.35 N ATOM 37615 C5 C 01808 140.879 9.762 128.063 1.00737.35 C ATOM 37616 C6 C 01808 140.391 9.793 126.817 1.00737.35 C ATOM 37617 P G 01809 135.256 10.670 124.688 1.00737.35 P ATOM 37618 O1P G 01809 135.396 11.471 125.931 1.00737.35 O ATOM 37619 O2P G 01809 134.871 9.239 124.778 1.00737.35 O ATOM 37620 O5* G 01809 134.216 11.399 123.725 1.00737.35 O ATOM 37621 C5* G 01809 134.062 12.817 123.747 1.00737.35 C ATOM 37622 C4* G 01809 133.748 13.337 122.363 1.00737.35 C ATOM 37623 O4* G 01809 134.868 13.056 121.481 1.00737.35 O ATOM 37624 C3* G 01809 132.557 12.707 121.660 1.00737.35 C ATOM 37625 O3* G 01809 131.338 13.331 122.055 1.00737.35 O ATOM 37626 C2* G 01809 132.868 12.976 120.192 1.00737.35 C ATOM 37627 O2* G 01809 132.521 14.282 119.780 1.00737.35 O ATOM 37628 C1* G 01809 134.389 12.818 120.166 1.00737.35 C ATOM 37629 N9 G 01809 134.835 11.494 119.736 1.00737.35 N ATOM 37630 C8 G 01809 135.262 10.456 120.531 1.00737.35 C ATOM 37631 N7 G 01809 135.599 9.394 119.849 1.00737.35 N ATOM 37632 C5 G 01809 135.381 9.750 118.526 1.00737.35 C ATOM 37633 C6 G 01809 135.567 9.004 117.331 1.00737.35 C ATOM 37634 O6 G 01809 135.977 7.846 117.199 1.00737.35 O ATOM 37635 N1 G 01809 135.221 9.750 116.207 1.00737.35 N ATOM 37636 C2 G 01809 134.757 11.041 116.228 1.00737.35 C ATOM 37637 N2 G 01809 134.477 11.587 115.037 1.00737.35 N ATOM 37638 N3 G 01809 134.580 11.746 117.333 1.00737.35 N ATOM 37639 C4 G 01809 134.911 11.042 118.438 1.00737.35 C ATOM 37640 P U 01810 129.983 12.468 122.125 1.00737.35 P ATOM 37641 O1P U 01810 128.868 13.420 122.362 1.00737.35 O ATOM 37642 O2P U 01810 130.197 11.340 123.066 1.00737.35 O ATOM 37643 O5* U 01810 129.822 11.870 120.657 1.00737.35 O ATOM 37644 C5* U 01810 129.722 12.723 119.518 1.00737.35 C ATOM 37645 C4* U 01810 129.803 11.914 118.244 1.00737.35 C ATOM 37646 O4* U 01810 131.078 11.219 118.195 1.00737.35 O ATOM 37647 C3* U 01810 128.764 10.814 118.098 1.00737.35 C ATOM 37648 O3* U 01810 127.566 11.345 117.542 1.00737.35 O ATOM 37649 C2* U 01810 129.446 9.843 117.139 1.00737.35 C ATOM 37650 O2* U 01810 129.328 10.227 115.783 1.00737.35 O ATOM 37651 C1* U 01810 130.909 9.953 117.578 1.00737.35 C ATOM 37652 N1 U 01810 131.336 8.908 118.526 1.00737.35 N ATOM 37653 C2 U 01810 131.780 7.701 118.003 1.00737.35 C ATOM 37654 O2 U 01810 131.824 7.466 116.804 1.00737.35 O ATOM 37655 N3 U 01810 132.175 6.774 118.937 1.00737.35 N ATOM 37656 C4 U 01810 132.169 6.922 120.308 1.00737.35 C ATOM 37657 O4 U 01810 132.568 5.997 121.019 1.00737.35 O ATOM 37658 C5 U 01810 131.691 8.188 120.772 1.00737.35 C ATOM 37659 C6 U 01810 131.300 9.114 119.890 1.00737.35 C ATOM 37660 P A 01811 126.143 10.991 118.206 1.00737.35 P ATOM 37661 O1P A 01811 126.320 10.950 119.682 1.00737.35 O ATOM 37662 O2P A 01811 125.585 9.809 117.502 1.00737.35 O ATOM 37663 O5* A 01811 125.240 12.256 117.852 1.00737.35 O ATOM 37664 C5* A 01811 125.622 13.564 118.278 1.00737.35 C ATOM 37665 C4* A 01811 125.672 14.508 117.099 1.00737.35 C ATOM 37666 O4* A 01811 126.583 13.973 116.103 1.00737.35 O ATOM 37667 C3* A 01811 124.368 14.706 116.343 1.00737.35 C ATOM 37668 O3* A 01811 123.578 15.719 116.966 1.00737.35 O ATOM 37669 C2* A 01811 124.853 15.147 114.966 1.00737.35 C ATOM 37670 O2* A 01811 125.189 16.519 114.911 1.00737.35 O ATOM 37671 C1* A 01811 126.120 14.305 114.803 1.00737.35 C ATOM 37672 N9 A 01811 125.915 13.070 114.043 1.00737.35 N ATOM 37673 C8 A 01811 125.916 11.772 114.501 1.00737.35 C ATOM 37674 N7 A 01811 125.709 10.881 113.564 1.00737.35 N ATOM 37675 C5 A 01811 125.558 11.637 112.409 1.00737.35 C ATOM 37676 C6 A 01811 125.314 11.283 111.071 1.00737.35 C ATOM 37677 N6 A 01811 125.174 10.025 110.649 1.00737.35 N ATOM 37678 N1 A 01811 125.216 12.280 110.166 1.00737.35 N ATOM 37679 C2 A 01811 125.358 13.542 110.586 1.00737.35 C ATOM 37680 N3 A 01811 125.588 14.002 111.814 1.00737.35 N ATOM 37681 C4 A 01811 125.680 12.986 112.690 1.00737.35 C ATOM 37682 P U 01812 122.018 15.868 116.598 1.00737.35 P ATOM 37683 O1P U 01812 121.253 15.626 117.848 1.00737.35 O ATOM 37684 O2P U 01812 121.718 15.062 115.387 1.00737.35 O ATOM 37685 O5* U 01812 121.865 17.408 116.221 1.00737.35 O ATOM 37686 C5* U 01812 122.665 17.992 115.192 1.00737.35 C ATOM 37687 C4* U 01812 123.036 19.413 115.552 1.00737.35 C ATOM 37688 O4* U 01812 121.843 20.240 115.559 1.00737.35 O ATOM 37689 C3* U 01812 123.640 19.615 116.935 1.00737.35 C ATOM 37690 O3* U 01812 125.040 19.344 116.945 1.00737.35 O ATOM 37691 C2* U 01812 123.340 21.086 117.202 1.00737.35 C ATOM 37692 O2* U 01812 124.258 21.962 116.581 1.00737.35 O ATOM 37693 C1* U 01812 121.958 21.238 116.563 1.00737.35 C ATOM 37694 N1 U 01812 120.847 21.077 117.517 1.00737.35 N ATOM 37695 C2 U 01812 120.417 22.203 118.205 1.00737.35 C ATOM 37696 O2 U 01812 120.911 23.311 118.053 1.00737.35 O ATOM 37697 N3 U 01812 119.382 21.986 119.080 1.00737.35 N ATOM 37698 C4 U 01812 118.744 20.789 119.337 1.00737.35 C ATOM 37699 O4 U 01812 117.823 20.757 120.155 1.00737.35 O ATOM 37700 C5 U 01812 119.241 19.676 118.589 1.00737.35 C ATOM 37701 C6 U 01812 120.249 19.851 117.729 1.00737.35 C ATOM 37702 P A 01813 125.738 18.835 118.300 1.00737.35 P ATOM 37703 O1P A 01813 125.112 17.538 118.662 1.00737.35 O ATOM 37704 O2P A 01813 125.723 19.953 119.276 1.00737.35 O ATOM 37705 O5* A 01813 127.252 18.554 117.889 1.00737.35 O ATOM 37706 C5* A 01813 128.184 18.062 118.851 1.00737.35 C ATOM 37707 C4* A 01813 129.397 17.473 118.166 1.00737.35 C ATOM 37708 O4* A 01813 128.974 16.403 117.278 1.00737.35 O ATOM 37709 C3* A 01813 130.190 18.409 117.265 1.00737.35 C ATOM 37710 O3* A 01813 131.110 19.192 118.020 1.00737.35 O ATOM 37711 C2* A 01813 130.901 17.429 116.341 1.00737.35 C ATOM 37712 O2* A 01813 132.043 16.839 116.929 1.00737.35 O ATOM 37713 C1* A 01813 129.818 16.367 116.138 1.00737.35 C ATOM 37714 N9 A 01813 128.999 16.603 114.947 1.00737.35 N ATOM 37715 C8 A 01813 128.032 17.562 114.764 1.00737.35 C ATOM 37716 N7 A 01813 127.473 17.530 113.579 1.00737.35 N ATOM 37717 C5 A 01813 128.115 16.481 112.937 1.00737.35 C ATOM 37718 C6 A 01813 127.976 15.934 111.649 1.00737.35 C ATOM 37719 N6 A 01813 127.109 16.390 110.741 1.00737.35 N ATOM 37720 N1 A 01813 128.768 14.889 111.320 1.00737.35 N ATOM 37721 C2 A 01813 129.638 14.435 112.231 1.00737.35 C ATOM 37722 N3 A 01813 129.862 14.863 113.473 1.00737.35 N ATOM 37723 C4 A 01813 129.057 15.901 113.766 1.00737.35 C ATOM 37724 P G 01814 131.721 20.539 117.387 1.00737.35 P ATOM 37725 O1P G 01814 132.507 21.209 118.456 1.00737.35 O ATOM 37726 O2P G 01814 130.630 21.281 116.705 1.00737.35 O ATOM 37727 O5* G 01814 132.735 20.016 116.276 1.00737.35 O ATOM 37728 C5* G 01814 133.909 19.289 116.640 1.00737.35 C ATOM 37729 C4* G 01814 134.557 18.678 115.417 1.00737.35 C ATOM 37730 O4* G 01814 133.639 17.731 114.808 1.00737.35 O ATOM 37731 C3* G 01814 134.897 19.640 114.291 1.00737.35 C ATOM 37732 O3* G 01814 136.147 20.283 114.520 1.00737.35 O ATOM 37733 C2* G 01814 134.947 18.712 113.082 1.00737.35 C ATOM 37734 O2* G 01814 136.166 18.001 112.977 1.00737.35 O ATOM 37735 C1* G 01814 133.807 17.741 113.397 1.00737.35 C ATOM 37736 N9 G 01814 132.540 18.125 112.780 1.00737.35 N ATOM 37737 C8 G 01814 131.604 19.007 113.273 1.00737.35 C ATOM 37738 N7 G 01814 130.574 19.154 112.484 1.00737.35 N ATOM 37739 C5 G 01814 130.844 18.320 111.408 1.00737.35 C ATOM 37740 C6 G 01814 130.088 18.061 110.235 1.00737.35 C ATOM 37741 O6 G 01814 128.994 18.535 109.903 1.00737.35 O ATOM 37742 N1 G 01814 130.727 17.146 109.406 1.00737.35 N ATOM 37743 C2 G 01814 131.939 16.558 109.666 1.00737.35 C ATOM 37744 N2 G 01814 132.390 15.699 108.739 1.00737.35 N ATOM 37745 N3 G 01814 132.655 16.790 110.753 1.00737.35 N ATOM 37746 C4 G 01814 132.051 17.677 111.576 1.00737.35 C ATOM 37747 P G 01815 136.460 21.694 113.821 1.00737.35 P ATOM 37748 O1P G 01815 137.796 22.136 114.297 1.00737.35 O ATOM 37749 O2P G 01815 135.286 22.586 114.004 1.00737.35 O ATOM 37750 O5* G 01815 136.576 21.339 112.272 1.00737.35 O ATOM 37751 C5* G 01815 137.642 20.526 111.785 1.00737.35 C ATOM 37752 C4* G 01815 137.425 20.185 110.328 1.00737.35 C ATOM 37753 O4* G 01815 136.221 19.386 110.189 1.00737.35 O ATOM 37754 C3* G 01815 137.196 21.364 109.396 1.00737.35 C ATOM 37755 O3* G 01815 138.427 21.950 108.990 1.00737.35 O ATOM 37756 C2* G 01815 136.459 20.715 108.231 1.00737.35 C ATOM 37757 O2* G 01815 137.322 20.047 107.332 1.00737.35 O ATOM 37758 C1* G 01815 135.580 19.695 108.961 1.00737.35 C ATOM 37759 N9 G 01815 134.237 20.194 109.248 1.00737.35 N ATOM 37760 C8 G 01815 133.797 20.782 110.412 1.00737.35 C ATOM 37761 N7 G 01815 132.540 21.133 110.365 1.00737.35 N ATOM 37762 C5 G 01815 132.124 20.755 109.096 1.00737.35 C ATOM 37763 C6 G 01815 130.856 20.880 108.469 1.00737.35 C ATOM 37764 O6 G 01815 129.815 21.367 108.924 1.00737.35 O ATOM 37765 N1 G 01815 130.873 20.365 107.176 1.00737.35 N ATOM 37766 C2 G 01815 131.965 19.800 106.564 1.00737.35 C ATOM 37767 N2 G 01815 131.781 19.363 105.311 1.00737.35 N ATOM 37768 N3 G 01815 133.151 19.679 107.136 1.00737.35 N ATOM 37769 C4 G 01815 133.159 20.173 108.393 1.00737.35 C ATOM 37770 P G 01816 138.461 23.483 108.503 1.00737.35 P ATOM 37771 O1P G 01816 139.886 23.845 108.288 1.00737.35 O ATOM 37772 O2P G 01816 137.632 24.293 109.432 1.00737.35 O ATOM 37773 O5* G 01816 137.735 23.449 107.084 1.00737.35 O ATOM 37774 C5* G 01816 138.356 22.833 105.959 1.00737.35 C ATOM 37775 C4* G 01816 137.456 22.911 104.746 1.00737.35 C ATOM 37776 O4* G 01816 136.263 22.114 104.967 1.00737.35 O ATOM 37777 C3* G 01816 136.921 24.289 104.397 1.00737.35 C ATOM 37778 O3* G 01816 137.872 25.038 103.648 1.00737.35 O ATOM 37779 C2* G 01816 135.685 23.952 103.571 1.00737.35 C ATOM 37780 O2* G 01816 135.986 23.628 102.229 1.00737.35 O ATOM 37781 C1* G 01816 135.163 22.709 104.297 1.00737.35 C ATOM 37782 N9 G 01816 134.117 22.998 105.275 1.00737.35 N ATOM 37783 C8 G 01816 134.265 23.161 106.633 1.00737.35 C ATOM 37784 N7 G 01816 133.140 23.406 107.246 1.00737.35 N ATOM 37785 C5 G 01816 132.189 23.408 106.234 1.00737.35 C ATOM 37786 C6 G 01816 130.786 23.619 106.290 1.00737.35 C ATOM 37787 O6 G 01816 130.079 23.853 107.279 1.00737.35 O ATOM 37788 N1 G 01816 130.207 23.534 105.029 1.00737.35 N ATOM 37789 C2 G 01816 130.885 23.282 103.862 1.00737.35 C ATOM 37790 N2 G 01816 130.146 23.242 102.743 1.00737.35 N ATOM 37791 N3 G 01816 132.191 23.083 103.796 1.00737.35 N ATOM 37792 C4 G 01816 132.777 23.160 105.010 1.00737.35 C ATOM 37793 P U 01817 137.805 26.645 103.649 1.00737.35 P ATOM 37794 O1P U 01817 138.968 27.136 102.867 1.00737.35 O ATOM 37795 O2P U 01817 137.613 27.107 105.048 1.00737.35 O ATOM 37796 O5* U 01817 136.478 26.973 102.830 1.00737.35 O ATOM 37797 C5* U 01817 136.381 26.668 101.439 1.00737.35 C ATOM 37798 C4* U 01817 135.000 26.994 100.919 1.00737.35 C ATOM 37799 O4* U 01817 134.023 26.136 101.565 1.00737.35 O ATOM 37800 C3* U 01817 134.498 28.402 101.198 1.00737.35 C ATOM 37801 O3* U 01817 134.994 29.325 100.233 1.00737.35 O ATOM 37802 C2* U 01817 132.987 28.228 101.100 1.00737.35 C ATOM 37803 O2* U 01817 132.510 28.231 99.768 1.00737.35 O ATOM 37804 C1* U 01817 132.798 26.840 101.719 1.00737.35 C ATOM 37805 N1 U 01817 132.442 26.875 103.147 1.00737.35 N ATOM 37806 C2 U 01817 131.098 26.956 103.480 1.00737.35 C ATOM 37807 O2 U 01817 130.207 26.994 102.645 1.00737.35 O ATOM 37808 N3 U 01817 130.833 26.991 104.825 1.00737.35 N ATOM 37809 C4 U 01817 131.750 26.952 105.856 1.00737.35 C ATOM 37810 O4 U 01817 131.352 26.993 107.021 1.00737.35 O ATOM 37811 C5 U 01817 133.115 26.870 105.436 1.00737.35 C ATOM 37812 C6 U 01817 133.409 26.834 104.133 1.00737.35 C ATOM 37813 P G 01818 135.217 30.863 100.644 1.00737.35 P ATOM 37814 O1P G 01818 135.925 31.522 99.517 1.00737.35 O ATOM 37815 O2P G 01818 135.805 30.907 102.007 1.00737.35 O ATOM 37816 O5* G 01818 133.739 31.454 100.724 1.00737.35 O ATOM 37817 C5* G 01818 132.978 31.687 99.541 1.00737.35 C ATOM 37818 C4* G 01818 131.634 32.283 99.885 1.00737.35 C ATOM 37819 O4* G 01818 130.850 31.319 100.636 1.00737.35 O ATOM 37820 C3* G 01818 131.655 33.513 100.781 1.00737.35 C ATOM 37821 O3* G 01818 131.906 34.693 100.025 1.00737.35 O ATOM 37822 C2* G 01818 130.253 33.501 101.374 1.00737.35 C ATOM 37823 O2* G 01818 129.280 34.047 100.507 1.00737.35 O ATOM 37824 C1* G 01818 130.003 32.000 101.548 1.00737.35 C ATOM 37825 N9 G 01818 130.279 31.514 102.899 1.00737.35 N ATOM 37826 C8 G 01818 131.483 31.080 103.403 1.00737.35 C ATOM 37827 N7 G 01818 131.412 30.709 104.652 1.00737.35 N ATOM 37828 C5 G 01818 130.081 30.904 104.994 1.00737.35 C ATOM 37829 C6 G 01818 129.403 30.677 106.224 1.00737.35 C ATOM 37830 O6 G 01818 129.859 30.243 107.288 1.00737.35 O ATOM 37831 N1 G 01818 128.056 31.014 106.133 1.00737.35 N ATOM 37832 C2 G 01818 127.439 31.506 105.008 1.00737.35 C ATOM 37833 N2 G 01818 126.129 31.770 105.122 1.00737.35 N ATOM 37834 N3 G 01818 128.057 31.721 103.860 1.00737.35 N ATOM 37835 C4 G 01818 129.369 31.402 103.924 1.00737.35 C ATOM 37836 P U 01819 132.522 35.991 100.750 1.00737.35 P ATOM 37837 O1P U 01819 132.869 36.969 99.685 1.00737.35 O ATOM 37838 O2P U 01819 133.570 35.549 101.707 1.00737.35 O ATOM 37839 O5* U 01819 131.300 36.579 101.587 1.00737.35 O ATOM 37840 C5* U 01819 130.136 37.075 100.931 1.00737.35 C ATOM 37841 C4* U 01819 129.001 37.236 101.915 1.00737.35 C ATOM 37842 O4* U 01819 128.679 35.939 102.488 1.00737.35 O ATOM 37843 C3* U 01819 129.278 38.120 103.120 1.00737.35 C ATOM 37844 O3* U 01819 129.072 39.498 102.813 1.00737.35 O ATOM 37845 C2* U 01819 128.267 37.600 104.138 1.00737.35 C ATOM 37846 O2* U 01819 126.964 38.110 103.939 1.00737.35 O ATOM 37847 C1* U 01819 128.285 36.098 103.844 1.00737.35 C ATOM 37848 N1 U 01819 129.222 35.349 104.698 1.00737.35 N ATOM 37849 C2 U 01819 128.742 34.840 105.895 1.00737.35 C ATOM 37850 O2 U 01819 127.587 34.979 106.267 1.00737.35 O ATOM 37851 N3 U 01819 129.669 34.159 106.648 1.00737.35 N ATOM 37852 C4 U 01819 130.994 33.937 106.337 1.00737.35 C ATOM 37853 O4 U 01819 131.704 33.305 107.121 1.00737.35 O ATOM 37854 C5 U 01819 131.415 34.491 105.086 1.00737.35 C ATOM 37855 C6 U 01819 130.540 35.160 104.329 1.00737.35 C ATOM 37856 P G 01820 129.533 40.627 103.861 1.00737.35 P ATOM 37857 O1P G 01820 129.215 41.946 103.258 1.00737.35 O ATOM 37858 O2P G 01820 130.925 40.334 104.291 1.00737.35 O ATOM 37859 O5* G 01820 128.556 40.403 105.101 1.00737.35 O ATOM 37860 C5* G 01820 128.912 40.827 106.413 1.00737.35 C ATOM 37861 C4* G 01820 128.303 39.900 107.438 1.00737.35 C ATOM 37862 O4* G 01820 128.790 38.548 107.202 1.00737.35 O ATOM 37863 C3* G 01820 128.652 40.187 108.889 1.00737.35 C ATOM 37864 O3* G 01820 127.892 41.288 109.414 1.00737.35 O ATOM 37865 C2* G 01820 128.520 38.815 109.548 1.00737.35 C ATOM 37866 O2* G 01820 127.202 38.411 109.862 1.00737.35 O ATOM 37867 C1* G 01820 129.053 37.906 108.439 1.00737.35 C ATOM 37868 N9 G 01820 130.489 37.642 108.526 1.00737.35 N ATOM 37869 C8 G 01820 131.494 38.306 107.861 1.00737.35 C ATOM 37870 N7 G 01820 132.684 37.839 108.132 1.00737.35 N ATOM 37871 C5 G 01820 132.451 36.807 109.030 1.00737.35 C ATOM 37872 C6 G 01820 133.361 35.930 109.676 1.00737.35 C ATOM 37873 O6 G 01820 134.594 35.889 109.579 1.00737.35 O ATOM 37874 N1 G 01820 132.702 35.034 110.511 1.00737.35 N ATOM 37875 C2 G 01820 131.344 34.985 110.701 1.00737.35 C ATOM 37876 N2 G 01820 130.900 34.044 111.546 1.00737.35 N ATOM 37877 N3 G 01820 130.484 35.795 110.103 1.00737.35 N ATOM 37878 C4 G 01820 131.103 36.674 109.288 1.00737.35 C ATOM 37879 P A 01821 126.367 41.086 109.903 1.00737.35 P ATOM 37880 O1P A 01821 125.658 40.208 108.935 1.00737.35 O ATOM 37881 O2P A 01821 125.833 42.445 110.179 1.00737.35 O ATOM 37882 O5* A 01821 126.474 40.327 111.299 1.00737.35 O ATOM 37883 C5* A 01821 125.298 39.911 111.986 1.00737.35 C ATOM 37884 C4* A 01821 125.551 39.828 113.473 1.00737.35 C ATOM 37885 O4* A 01821 126.124 41.078 113.936 1.00737.35 O ATOM 37886 C3* A 01821 124.298 39.648 114.315 1.00737.35 C ATOM 37887 O3* A 01821 123.928 38.277 114.424 1.00737.35 O ATOM 37888 C2* A 01821 124.722 40.226 115.658 1.00737.35 C ATOM 37889 O2* A 01821 125.477 39.325 116.441 1.00737.35 O ATOM 37890 C1* A 01821 125.600 41.400 115.216 1.00737.35 C ATOM 37891 N9 A 01821 124.878 42.671 115.115 1.00737.35 N ATOM 37892 C8 A 01821 124.723 43.469 114.004 1.00737.35 C ATOM 37893 N7 A 01821 124.015 44.550 114.223 1.00737.35 N ATOM 37894 C5 A 01821 123.680 44.461 115.567 1.00737.35 C ATOM 37895 C6 A 01821 122.931 45.300 116.412 1.00737.35 C ATOM 37896 N6 A 01821 122.363 46.440 116.009 1.00737.35 N ATOM 37897 N1 A 01821 122.785 44.925 117.701 1.00737.35 N ATOM 37898 C2 A 01821 123.354 43.780 118.103 1.00737.35 C ATOM 37899 N3 A 01821 124.077 42.908 117.407 1.00737.35 N ATOM 37900 C4 A 01821 124.206 43.311 116.131 1.00737.35 C ATOM 37901 P C 01822 122.474 37.798 113.930 1.00737.35 P ATOM 37902 O1P C 01822 122.098 36.582 114.694 1.00737.35 O ATOM 37903 O2P C 01822 122.511 37.747 112.446 1.00737.35 O ATOM 37904 O5* C 01822 121.499 38.987 114.355 1.00737.35 O ATOM 37905 C5* C 01822 121.179 39.226 115.724 1.00737.35 C ATOM 37906 C4* C 01822 120.484 40.561 115.872 1.00737.35 C ATOM 37907 O4* C 01822 121.403 41.626 115.517 1.00737.35 O ATOM 37908 C3* C 01822 119.281 40.779 114.970 1.00737.35 C ATOM 37909 O3* C 01822 118.100 40.226 115.548 1.00737.35 O ATOM 37910 C2* C 01822 119.210 42.301 114.878 1.00737.35 C ATOM 37911 O2* C 01822 118.574 42.896 115.990 1.00737.35 O ATOM 37912 C1* C 01822 120.695 42.674 114.871 1.00737.35 C ATOM 37913 N1 C 01822 121.266 42.870 113.522 1.00737.35 N ATOM 37914 C2 C 01822 121.118 44.120 112.893 1.00737.35 C ATOM 37915 O2 C 01822 120.493 45.025 113.474 1.00737.35 O ATOM 37916 N3 C 01822 121.657 44.308 111.666 1.00737.35 N ATOM 37917 C4 C 01822 122.315 43.316 111.065 1.00737.35 C ATOM 37918 N4 C 01822 122.838 43.554 109.859 1.00737.35 N ATOM 37919 C5 C 01822 122.470 42.036 111.671 1.00737.35 C ATOM 37920 C6 C 01822 121.934 41.858 112.887 1.00737.35 C ATOM 37921 P G 01823 116.931 39.671 114.596 1.00737.35 P ATOM 37922 O1P G 01823 115.880 39.069 115.459 1.00737.35 O ATOM 37923 O2P G 01823 117.567 38.846 113.537 1.00737.35 O ATOM 37924 O5* G 01823 116.339 40.980 113.907 1.00737.35 O ATOM 37925 C5* G 01823 115.353 41.776 114.565 1.00737.35 C ATOM 37926 C4* G 01823 114.818 42.831 113.625 1.00737.35 C ATOM 37927 O4* G 01823 115.863 43.795 113.331 1.00737.35 O ATOM 37928 C3* G 01823 114.368 42.327 112.263 1.00737.35 C ATOM 37929 O3* G 01823 113.029 41.840 112.323 1.00737.35 O ATOM 37930 C2* G 01823 114.496 43.571 111.393 1.00737.35 C ATOM 37931 O2* G 01823 113.395 44.450 111.514 1.00737.35 O ATOM 37932 C1* G 01823 115.746 44.230 111.985 1.00737.35 C ATOM 37933 N9 G 01823 116.987 43.892 111.286 1.00737.35 N ATOM 37934 C8 G 01823 117.901 42.927 111.637 1.00737.35 C ATOM 37935 N7 G 01823 118.920 42.867 110.826 1.00737.35 N ATOM 37936 C5 G 01823 118.666 43.848 109.880 1.00737.35 C ATOM 37937 C6 G 01823 119.423 44.250 108.748 1.00737.35 C ATOM 37938 O6 G 01823 120.505 43.805 108.348 1.00737.35 O ATOM 37939 N1 G 01823 118.799 45.280 108.055 1.00737.35 N ATOM 37940 C2 G 01823 117.600 45.854 108.401 1.00737.35 C ATOM 37941 N2 G 01823 117.162 46.835 107.599 1.00737.35 N ATOM 37942 N3 G 01823 116.886 45.491 109.454 1.00737.35 N ATOM 37943 C4 G 01823 117.474 44.489 110.144 1.00737.35 C ATOM 37944 P C 01824 112.603 40.559 111.450 1.00737.35 P ATOM 37945 O1P C 01824 111.364 39.993 112.039 1.00737.35 O ATOM 37946 O2P C 01824 113.800 39.691 111.294 1.00737.35 O ATOM 37947 O5* C 01824 112.252 41.167 110.018 1.00737.35 O ATOM 37948 C5* C 01824 110.984 41.769 109.769 1.00737.35 C ATOM 37949 C4* C 01824 110.902 42.246 108.336 1.00737.35 C ATOM 37950 O4* C 01824 111.858 43.320 108.130 1.00737.35 O ATOM 37951 C3* C 01824 111.262 41.217 107.275 1.00737.35 C ATOM 37952 O3* C 01824 110.155 40.378 106.960 1.00737.35 O ATOM 37953 C2* C 01824 111.676 42.097 106.102 1.00737.35 C ATOM 37954 O2* C 01824 110.575 42.614 105.381 1.00737.35 O ATOM 37955 C1* C 01824 112.409 43.230 106.822 1.00737.35 C ATOM 37956 N1 C 01824 113.863 42.989 106.938 1.00737.35 N ATOM 37957 C2 C 01824 114.707 43.406 105.895 1.00737.35 C ATOM 37958 O2 C 01824 114.216 43.982 104.908 1.00737.35 O ATOM 37959 N3 C 01824 116.035 43.166 105.989 1.00737.35 N ATOM 37960 C4 C 01824 116.528 42.544 107.065 1.00737.35 C ATOM 37961 N4 C 01824 117.842 42.319 107.107 1.00737.35 N ATOM 37962 C5 C 01824 115.696 42.121 108.140 1.00737.35 C ATOM 37963 C6 C 01824 114.383 42.363 108.038 1.00737.35 C ATOM 37964 P C 01825 110.411 38.853 106.514 1.00737.35 P ATOM 37965 O1P C 01825 109.095 38.229 106.224 1.00737.35 O ATOM 37966 O2P C 01825 111.310 38.234 107.521 1.00737.35 O ATOM 37967 O5* C 01825 111.217 38.981 105.146 1.00737.35 O ATOM 37968 C5* C 01825 110.652 39.659 104.026 1.00737.35 C ATOM 37969 C4* C 01825 111.685 39.848 102.940 1.00737.35 C ATOM 37970 O4* C 01825 112.782 40.650 103.446 1.00737.35 O ATOM 37971 C3* C 01825 112.365 38.588 102.427 1.00737.35 C ATOM 37972 O3* C 01825 111.556 37.943 101.446 1.00737.35 O ATOM 37973 C2* C 01825 113.645 39.144 101.811 1.00737.35 C ATOM 37974 O2* C 01825 113.453 39.654 100.507 1.00737.35 O ATOM 37975 C1* C 01825 113.976 40.296 102.763 1.00737.35 C ATOM 37976 N1 C 01825 115.037 39.986 103.747 1.00737.35 N ATOM 37977 C2 C 01825 116.377 40.028 103.327 1.00737.35 C ATOM 37978 O2 C 01825 116.634 40.307 102.142 1.00737.35 O ATOM 37979 N3 C 01825 117.357 39.760 104.218 1.00737.35 N ATOM 37980 C4 C 01825 117.052 39.455 105.478 1.00737.35 C ATOM 37981 N4 C 01825 118.063 39.201 106.317 1.00737.35 N ATOM 37982 C5 C 01825 115.700 39.395 105.933 1.00737.35 C ATOM 37983 C6 C 01825 114.733 39.664 105.043 1.00737.35 C ATOM 37984 P U 01826 111.604 36.342 101.290 1.00737.35 P ATOM 37985 O1P U 01826 110.667 35.954 100.206 1.00737.35 O ATOM 37986 O2P U 01826 111.441 35.752 102.644 1.00737.35 O ATOM 37987 O5* U 01826 113.090 36.037 100.799 1.00737.35 O ATOM 37988 C5* U 01826 113.662 36.752 99.703 1.00737.35 C ATOM 37989 C4* U 01826 115.129 36.417 99.568 1.00737.35 C ATOM 37990 O4* U 01826 115.798 36.685 100.831 1.00737.35 O ATOM 37991 C3* U 01826 115.446 34.960 99.276 1.00737.35 C ATOM 37992 O3* U 01826 115.379 34.717 97.875 1.00737.35 O ATOM 37993 C2* U 01826 116.868 34.822 99.810 1.00737.35 C ATOM 37994 O2* U 01826 117.849 35.306 98.915 1.00737.35 O ATOM 37995 C1* U 01826 116.811 35.716 101.049 1.00737.35 C ATOM 37996 N1 U 01826 116.506 34.983 102.294 1.00737.35 N ATOM 37997 C2 U 01826 117.560 34.366 102.955 1.00737.35 C ATOM 37998 O2 U 01826 118.713 34.407 102.557 1.00737.35 O ATOM 37999 N3 U 01826 117.210 33.701 104.105 1.00737.35 N ATOM 38000 C4 U 01826 115.947 33.587 104.649 1.00737.35 C ATOM 38001 O4 U 01826 115.794 32.952 105.693 1.00737.35 O ATOM 38002 C5 U 01826 114.916 34.248 103.911 1.00737.35 C ATOM 38003 C6 U 01826 115.221 34.906 102.788 1.00737.35 C ATOM 38004 P G 01827 114.927 33.272 97.331 1.00737.35 P ATOM 38005 O1P G 01827 113.867 32.750 98.233 1.00737.35 O ATOM 38006 O2P G 01827 116.151 32.465 97.095 1.00737.35 O ATOM 38007 O5* G 01827 114.268 33.596 95.917 1.00737.35 O ATOM 38008 C5* G 01827 112.986 34.219 95.834 1.00737.35 C ATOM 38009 C4* G 01827 112.882 35.046 94.574 1.00737.35 C ATOM 38010 O4* G 01827 113.815 36.156 94.641 1.00737.35 O ATOM 38011 C3* G 01827 113.247 34.333 93.280 1.00737.35 C ATOM 38012 O3* G 01827 112.147 33.580 92.782 1.00737.35 O ATOM 38013 C2* G 01827 113.608 35.496 92.363 1.00737.35 C ATOM 38014 O2* G 01827 112.478 36.127 91.790 1.00737.35 O ATOM 38015 C1* G 01827 114.296 36.455 93.339 1.00737.35 C ATOM 38016 N9 G 01827 115.753 36.344 93.339 1.00737.35 N ATOM 38017 C8 G 01827 116.541 35.682 94.253 1.00737.35 C ATOM 38018 N7 G 01827 117.817 35.769 93.985 1.00737.35 N ATOM 38019 C5 G 01827 117.877 36.531 92.826 1.00737.35 C ATOM 38020 C6 G 01827 118.994 36.959 92.064 1.00737.35 C ATOM 38021 O6 G 01827 120.199 36.743 92.266 1.00737.35 O ATOM 38022 N1 G 01827 118.602 37.712 90.963 1.00737.35 N ATOM 38023 C2 G 01827 117.303 38.017 90.635 1.00737.35 C ATOM 38024 N2 G 01827 117.130 38.754 89.528 1.00737.35 N ATOM 38025 N3 G 01827 116.254 37.630 91.338 1.00737.35 N ATOM 38026 C4 G 01827 116.612 36.894 92.414 1.00737.35 C ATOM 38027 P C 01828 112.418 32.257 91.912 1.00737.35 P ATOM 38028 O1P C 01828 111.102 31.613 91.664 1.00737.35 O ATOM 38029 O2P C 01828 113.502 31.477 92.566 1.00737.35 O ATOM 38030 O5* C 01828 112.976 32.817 90.528 1.00737.35 O ATOM 38031 C5* C 01828 112.092 33.314 89.527 1.00737.35 C ATOM 38032 C4* C 01828 112.811 33.440 88.202 1.00737.35 C ATOM 38033 O4* C 01828 113.790 34.506 88.277 1.00737.35 O ATOM 38034 C3* C 01828 113.615 32.225 87.769 1.00737.35 C ATOM 38035 O3* C 01828 112.784 31.248 87.153 1.00737.35 O ATOM 38036 C2* C 01828 114.617 32.835 86.796 1.00737.35 C ATOM 38037 O2* C 01828 114.081 33.045 85.505 1.00737.35 O ATOM 38038 C1* C 01828 114.908 34.181 87.464 1.00737.35 C ATOM 38039 N1 C 01828 116.124 34.178 88.305 1.00737.35 N ATOM 38040 C2 C 01828 117.368 34.448 87.706 1.00737.35 C ATOM 38041 O2 C 01828 117.415 34.682 86.486 1.00737.35 O ATOM 38042 N3 C 01828 118.483 34.444 88.470 1.00737.35 N ATOM 38043 C4 C 01828 118.397 34.185 89.776 1.00737.35 C ATOM 38044 N4 C 01828 119.526 34.192 90.489 1.00737.35 N ATOM 38045 C5 C 01828 117.152 33.909 90.411 1.00737.35 C ATOM 38046 C6 C 01828 116.053 33.914 89.648 1.00737.35 C ATOM 38047 P C 01829 113.181 29.692 87.242 1.00737.35 P ATOM 38048 O1P C 01829 112.068 28.918 86.637 1.00737.35 O ATOM 38049 O2P C 01829 113.609 29.393 88.634 1.00737.35 O ATOM 38050 O5* C 01829 114.454 29.568 86.291 1.00737.35 O ATOM 38051 C5* C 01829 114.336 29.786 84.887 1.00737.35 C ATOM 38052 C4* C 01829 115.698 29.764 84.232 1.00737.35 C ATOM 38053 O4* C 01829 116.494 30.871 84.725 1.00737.35 O ATOM 38054 C3* C 01829 116.559 28.543 84.509 1.00737.35 C ATOM 38055 O3* C 01829 116.210 27.470 83.639 1.00737.35 O ATOM 38056 C2* C 01829 117.963 29.064 84.205 1.00737.35 C ATOM 38057 O2* C 01829 118.281 29.029 82.831 1.00737.35 O ATOM 38058 C1* C 01829 117.867 30.519 84.674 1.00737.35 C ATOM 38059 N1 C 01829 118.490 30.768 85.991 1.00737.35 N ATOM 38060 C2 C 01829 119.882 30.955 86.049 1.00737.35 C ATOM 38061 O2 C 01829 120.544 30.912 84.999 1.00737.35 O ATOM 38062 N3 C 01829 120.470 31.178 87.248 1.00737.35 N ATOM 38063 C4 C 01829 119.728 31.219 88.358 1.00737.35 C ATOM 38064 N4 C 01829 120.355 31.439 89.517 1.00737.35 N ATOM 38065 C5 C 01829 118.314 31.037 88.327 1.00737.35 C ATOM 38066 C6 C 01829 117.741 30.815 87.136 1.00737.35 C ATOM 38067 P C 01830 116.219 25.957 84.188 1.00737.35 P ATOM 38068 O1P C 01830 115.888 25.072 83.042 1.00737.35 O ATOM 38069 O2P C 01830 115.390 25.901 85.420 1.00737.35 O ATOM 38070 O5* C 01830 117.735 25.692 84.597 1.00737.35 O ATOM 38071 C5* C 01830 118.803 25.951 83.685 1.00737.35 C ATOM 38072 C4* C 01830 120.081 25.312 84.178 1.00737.35 C ATOM 38073 O4* C 01830 120.376 25.812 85.507 1.00737.35 O ATOM 38074 C3* C 01830 120.031 23.799 84.342 1.00737.35 C ATOM 38075 O3* C 01830 120.347 23.165 83.108 1.00737.35 O ATOM 38076 C2* C 01830 121.113 23.551 85.390 1.00737.35 C ATOM 38077 O2* C 01830 122.417 23.520 84.842 1.00737.35 O ATOM 38078 C1* C 01830 120.961 24.782 86.288 1.00737.35 C ATOM 38079 N1 C 01830 120.120 24.558 87.479 1.00737.35 N ATOM 38080 C2 C 01830 120.744 24.303 88.713 1.00737.35 C ATOM 38081 O2 C 01830 121.985 24.267 88.768 1.00737.35 O ATOM 38082 N3 C 01830 119.978 24.104 89.810 1.00737.35 N ATOM 38083 C4 C 01830 118.648 24.148 89.714 1.00737.35 C ATOM 38084 N4 C 01830 117.934 23.947 90.824 1.00737.35 N ATOM 38085 C5 C 01830 117.989 24.402 88.476 1.00737.35 C ATOM 38086 C6 C 01830 118.754 24.598 87.396 1.00737.35 C ATOM 38087 P G 01831 119.188 22.441 82.257 1.00737.35 P ATOM 38088 O1P G 01831 117.876 22.997 82.674 1.00737.35 O ATOM 38089 O2P G 01831 119.415 20.974 82.325 1.00737.35 O ATOM 38090 O5* G 01831 119.468 22.915 80.762 1.00737.35 O ATOM 38091 C5* G 01831 119.615 24.302 80.455 1.00737.35 C ATOM 38092 C4* G 01831 120.473 24.479 79.222 1.00737.35 C ATOM 38093 O4* G 01831 120.606 25.901 78.948 1.00737.35 O ATOM 38094 C3* G 01831 121.905 23.982 79.349 1.00737.35 C ATOM 38095 O3* G 01831 121.995 22.597 79.034 1.00737.35 O ATOM 38096 C2* G 01831 122.638 24.842 78.324 1.00737.35 C ATOM 38097 O2* G 01831 122.491 24.374 77.000 1.00737.35 O ATOM 38098 C1* G 01831 121.919 26.183 78.484 1.00737.35 C ATOM 38099 N9 G 01831 122.564 27.073 79.445 1.00737.35 N ATOM 38100 C8 G 01831 122.280 27.204 80.784 1.00737.35 C ATOM 38101 N7 G 01831 123.031 28.083 81.387 1.00737.35 N ATOM 38102 C5 G 01831 123.866 28.564 80.387 1.00737.35 C ATOM 38103 C6 G 01831 124.896 29.540 80.440 1.00737.35 C ATOM 38104 O6 G 01831 125.292 30.192 81.414 1.00737.35 O ATOM 38105 N1 G 01831 125.490 29.725 79.195 1.00737.35 N ATOM 38106 C2 G 01831 125.140 29.060 78.047 1.00737.35 C ATOM 38107 N2 G 01831 125.833 29.378 76.945 1.00737.35 N ATOM 38108 N3 G 01831 124.183 28.148 77.984 1.00737.35 N ATOM 38109 C4 G 01831 123.592 27.952 79.182 1.00737.35 C ATOM 38110 P G 01832 122.956 21.641 79.900 1.00737.35 P ATOM 38111 O1P G 01832 123.058 20.348 79.178 1.00737.35 O ATOM 38112 O2P G 01832 122.481 21.660 81.307 1.00737.35 O ATOM 38113 O5* G 01832 124.376 22.361 79.844 1.00737.35 O ATOM 38114 C5* G 01832 125.075 22.519 78.609 1.00737.35 C ATOM 38115 C4* G 01832 126.305 23.375 78.813 1.00737.35 C ATOM 38116 O4* G 01832 125.899 24.705 79.234 1.00737.35 O ATOM 38117 C3* G 01832 127.258 22.899 79.899 1.00737.35 C ATOM 38118 O3* G 01832 128.171 21.934 79.385 1.00737.35 O ATOM 38119 C2* G 01832 127.956 24.190 80.309 1.00737.35 C ATOM 38120 O2* G 01832 129.004 24.558 79.432 1.00737.35 O ATOM 38121 C1* G 01832 126.811 25.200 80.203 1.00737.35 C ATOM 38122 N9 G 01832 126.086 25.406 81.455 1.00737.35 N ATOM 38123 C8 G 01832 124.822 24.955 81.764 1.00737.35 C ATOM 38124 N7 G 01832 124.434 25.299 82.961 1.00737.35 N ATOM 38125 C5 G 01832 125.503 26.019 83.478 1.00737.35 C ATOM 38126 C6 G 01832 125.662 26.644 84.741 1.00737.35 C ATOM 38127 O6 G 01832 124.864 26.690 85.685 1.00737.35 O ATOM 38128 N1 G 01832 126.904 27.261 84.850 1.00737.35 N ATOM 38129 C2 G 01832 127.867 27.276 83.875 1.00737.35 C ATOM 38130 N2 G 01832 129.004 27.925 84.178 1.00737.35 N ATOM 38131 N3 G 01832 127.733 26.701 82.691 1.00737.35 N ATOM 38132 C4 G 01832 126.532 26.093 82.563 1.00737.35 C ATOM 38133 P U 01833 128.721 20.767 80.344 1.00737.35 P ATOM 38134 O1P U 01833 129.607 19.904 79.522 1.00737.35 O ATOM 38135 O2P U 01833 127.567 20.164 81.060 1.00737.35 O ATOM 38136 O5* U 01833 129.619 21.539 81.412 1.00737.35 O ATOM 38137 C5* U 01833 130.886 22.086 81.049 1.00737.35 C ATOM 38138 C4* U 01833 131.559 22.694 82.256 1.00737.35 C ATOM 38139 O4* U 01833 130.790 23.837 82.714 1.00737.35 O ATOM 38140 C3* U 01833 131.657 21.791 83.476 1.00737.35 C ATOM 38141 O3* U 01833 132.799 20.945 83.398 1.00737.35 O ATOM 38142 C2* U 01833 131.763 22.795 84.616 1.00737.35 C ATOM 38143 O2* U 01833 133.069 23.308 84.785 1.00737.35 O ATOM 38144 C1* U 01833 130.827 23.905 84.131 1.00737.35 C ATOM 38145 N1 U 01833 129.450 23.787 84.645 1.00737.35 N ATOM 38146 C2 U 01833 129.170 24.345 85.885 1.00737.35 C ATOM 38147 O2 U 01833 130.007 24.920 86.563 1.00737.35 O ATOM 38148 N3 U 01833 127.869 24.204 86.303 1.00737.35 N ATOM 38149 C4 U 01833 126.841 23.577 85.625 1.00737.35 C ATOM 38150 O4 U 01833 125.714 23.547 86.126 1.00737.35 O ATOM 38151 C5 U 01833 127.210 23.026 84.358 1.00737.35 C ATOM 38152 C6 U 01833 128.467 23.146 83.923 1.00737.35 C ATOM 38153 P G 01834 132.694 19.416 83.882 1.00737.35 P ATOM 38154 O1P G 01834 134.031 18.798 83.689 1.00737.35 O ATOM 38155 O2P G 01834 131.505 18.799 83.238 1.00737.35 O ATOM 38156 O5* G 01834 132.411 19.526 85.446 1.00737.35 O ATOM 38157 C5* G 01834 133.439 19.922 86.354 1.00737.35 C ATOM 38158 C4* G 01834 132.890 20.030 87.758 1.00737.35 C ATOM 38159 O4* G 01834 131.915 21.105 87.814 1.00737.35 O ATOM 38160 C3* G 01834 132.137 18.812 88.271 1.00737.35 C ATOM 38161 O3* G 01834 133.030 17.836 88.796 1.00737.35 O ATOM 38162 C2* G 01834 131.251 19.419 89.354 1.00737.35 C ATOM 38163 O2* G 01834 131.930 19.632 90.576 1.00737.35 O ATOM 38164 C1* G 01834 130.881 20.765 88.724 1.00737.35 C ATOM 38165 N9 G 01834 129.611 20.733 87.999 1.00737.35 N ATOM 38166 C8 G 01834 129.429 20.583 86.644 1.00737.35 C ATOM 38167 N7 G 01834 128.173 20.593 86.292 1.00737.35 N ATOM 38168 C5 G 01834 127.482 20.758 87.486 1.00737.35 C ATOM 38169 C6 G 01834 126.086 20.842 87.733 1.00737.35 C ATOM 38170 O6 G 01834 125.153 20.786 86.925 1.00737.35 O ATOM 38171 N1 G 01834 125.821 21.007 89.089 1.00737.35 N ATOM 38172 C2 G 01834 126.769 21.083 90.078 1.00737.35 C ATOM 38173 N2 G 01834 126.310 21.244 91.327 1.00737.35 N ATOM 38174 N3 G 01834 128.072 21.007 89.859 1.00737.35 N ATOM 38175 C4 G 01834 128.354 20.846 88.549 1.00737.35 C ATOM 38176 P C 01835 132.586 16.291 88.838 1.00737.35 P ATOM 38177 O1P C 01835 133.736 15.515 89.368 1.00737.35 O ATOM 38178 O2P C 01835 132.003 15.931 87.520 1.00737.35 O ATOM 38179 O5* C 01835 131.417 16.257 89.923 1.00737.35 O ATOM 38180 C5* C 01835 131.689 16.519 91.297 1.00737.35 C ATOM 38181 C4* C 01835 130.411 16.489 92.104 1.00737.35 C ATOM 38182 O4* C 01835 129.541 17.570 91.677 1.00737.35 O ATOM 38183 C3* C 01835 129.555 15.242 91.953 1.00737.35 C ATOM 38184 O3* C 01835 130.020 14.196 92.797 1.00737.35 O ATOM 38185 C2* C 01835 128.178 15.746 92.373 1.00737.35 C ATOM 38186 O2* C 01835 128.007 15.798 93.776 1.00737.35 O ATOM 38187 C1* C 01835 128.185 17.166 91.800 1.00737.35 C ATOM 38188 N1 C 01835 127.530 17.275 90.481 1.00737.35 N ATOM 38189 C2 C 01835 126.140 17.486 90.428 1.00737.35 C ATOM 38190 O2 C 01835 125.499 17.576 91.489 1.00737.35 O ATOM 38191 N3 C 01835 125.534 17.584 89.223 1.00737.35 N ATOM 38192 C4 C 01835 126.251 17.483 88.101 1.00737.35 C ATOM 38193 N4 C 01835 125.605 17.585 86.937 1.00737.35 N ATOM 38194 C5 C 01835 127.659 17.267 88.126 1.00737.35 C ATOM 38195 C6 C 01835 128.252 17.173 89.323 1.00737.35 C ATOM 38196 P C 01836 129.694 12.664 92.426 1.00737.35 P ATOM 38197 O1P C 01836 130.436 11.810 93.386 1.00737.35 O ATOM 38198 O2P C 01836 129.902 12.478 90.966 1.00737.35 O ATOM 38199 O5* C 01836 128.135 12.522 92.729 1.00737.35 O ATOM 38200 C5* C 01836 127.641 12.582 94.065 1.00737.35 C ATOM 38201 C4* C 01836 126.129 12.562 94.072 1.00737.35 C ATOM 38202 O4* C 01836 125.625 13.755 93.419 1.00737.35 O ATOM 38203 C3* C 01836 125.476 11.418 93.311 1.00737.35 C ATOM 38204 O3* C 01836 125.415 10.240 94.109 1.00737.35 O ATOM 38205 C2* C 01836 124.093 11.980 93.012 1.00737.35 C ATOM 38206 O2* C 01836 123.201 11.882 94.105 1.00737.35 O ATOM 38207 C1* C 01836 124.415 13.451 92.736 1.00737.35 C ATOM 38208 N1 C 01836 124.590 13.756 91.301 1.00737.35 N ATOM 38209 C2 C 01836 123.460 14.110 90.541 1.00737.35 C ATOM 38210 O2 C 01836 122.349 14.162 91.095 1.00737.35 O ATOM 38211 N3 C 01836 123.609 14.385 89.226 1.00737.35 N ATOM 38212 C4 C 01836 124.818 14.320 88.663 1.00737.35 C ATOM 38213 N4 C 01836 124.915 14.601 87.359 1.00737.35 N ATOM 38214 C5 C 01836 125.981 13.967 89.409 1.00737.35 C ATOM 38215 C6 C 01836 125.822 13.695 90.710 1.00737.35 C ATOM 38216 P G 01837 125.361 8.796 93.401 1.00737.35 P ATOM 38217 O1P G 01837 125.476 7.758 94.459 1.00737.35 O ATOM 38218 O2P G 01837 126.332 8.805 92.278 1.00737.35 O ATOM 38219 O5* G 01837 123.892 8.726 92.784 1.00737.35 O ATOM 38220 C5* G 01837 122.748 8.648 93.630 1.00737.35 C ATOM 38221 C4* G 01837 121.480 8.790 92.817 1.00737.35 C ATOM 38222 O4* G 01837 121.445 10.105 92.202 1.00737.35 O ATOM 38223 C3* G 01837 121.320 7.832 91.647 1.00737.35 C ATOM 38224 O3* G 01837 120.802 6.576 92.076 1.00737.35 O ATOM 38225 C2* G 01837 120.335 8.579 90.756 1.00737.35 C ATOM 38226 O2* G 01837 118.990 8.440 91.174 1.00737.35 O ATOM 38227 C1* G 01837 120.790 10.028 90.946 1.00737.35 C ATOM 38228 N9 G 01837 121.710 10.486 89.905 1.00737.35 N ATOM 38229 C8 G 01837 123.077 10.616 89.995 1.00737.35 C ATOM 38230 N7 G 01837 123.621 11.047 88.892 1.00737.35 N ATOM 38231 C5 G 01837 122.555 11.213 88.019 1.00737.35 C ATOM 38232 C6 G 01837 122.530 11.654 86.670 1.00737.35 C ATOM 38233 O6 G 01837 123.476 12.005 85.954 1.00737.35 O ATOM 38234 N1 G 01837 121.233 11.672 86.162 1.00737.35 N ATOM 38235 C2 G 01837 120.107 11.309 86.860 1.00737.35 C ATOM 38236 N2 G 01837 118.946 11.394 86.194 1.00737.35 N ATOM 38237 N3 G 01837 120.118 10.895 88.116 1.00737.35 N ATOM 38238 C4 G 01837 121.367 10.872 88.630 1.00737.35 C ATOM 38239 P G 01838 121.082 5.255 91.200 1.00737.35 P ATOM 38240 O1P G 01838 120.508 4.090 91.925 1.00737.35 O ATOM 38241 O2P G 01838 122.520 5.252 90.833 1.00737.35 O ATOM 38242 O5* G 01838 120.232 5.485 89.872 1.00737.35 O ATOM 38243 C5* G 01838 118.811 5.600 89.921 1.00737.35 C ATOM 38244 C4* G 01838 118.268 6.026 88.575 1.00737.35 C ATOM 38245 O4* G 01838 118.817 7.320 88.220 1.00737.35 O ATOM 38246 C3* G 01838 118.628 5.135 87.397 1.00737.35 C ATOM 38247 O3* G 01838 117.729 4.034 87.296 1.00737.35 O ATOM 38248 C2* G 01838 118.463 6.086 86.216 1.00737.35 C ATOM 38249 O2* G 01838 117.120 6.226 85.798 1.00737.35 O ATOM 38250 C1* G 01838 118.958 7.406 86.812 1.00737.35 C ATOM 38251 N9 G 01838 120.350 7.712 86.487 1.00737.35 N ATOM 38252 C8 G 01838 121.429 7.700 87.338 1.00737.35 C ATOM 38253 N7 G 01838 122.549 8.025 86.751 1.00737.35 N ATOM 38254 C5 G 01838 122.190 8.269 85.432 1.00737.35 C ATOM 38255 C6 G 01838 122.980 8.661 84.319 1.00737.35 C ATOM 38256 O6 G 01838 124.198 8.884 84.275 1.00737.35 O ATOM 38257 N1 G 01838 122.210 8.791 83.166 1.00737.35 N ATOM 38258 C2 G 01838 120.856 8.574 83.092 1.00737.35 C ATOM 38259 N2 G 01838 120.296 8.749 81.887 1.00737.35 N ATOM 38260 N3 G 01838 120.110 8.212 84.121 1.00737.35 N ATOM 38261 C4 G 01838 120.836 8.077 85.252 1.00737.35 C ATOM 38262 P A 01839 118.304 2.550 87.039 1.00737.35 P ATOM 38263 O1P A 01839 117.166 1.675 86.657 1.00737.35 O ATOM 38264 O2P A 01839 119.143 2.192 88.211 1.00737.35 O ATOM 38265 O5* A 01839 119.263 2.701 85.774 1.00737.35 O ATOM 38266 C5* A 01839 118.810 3.323 84.573 1.00737.35 C ATOM 38267 C4* A 01839 119.930 3.390 83.563 1.00737.35 C ATOM 38268 O4* A 01839 121.060 4.085 84.156 1.00737.35 O ATOM 38269 C3* A 01839 120.501 2.047 83.127 1.00737.35 C ATOM 38270 O3* A 01839 119.742 1.514 82.048 1.00737.35 O ATOM 38271 C2* A 01839 121.912 2.419 82.687 1.00737.35 C ATOM 38272 O2* A 01839 121.962 2.961 81.383 1.00737.35 O ATOM 38273 C1* A 01839 122.273 3.500 83.709 1.00737.35 C ATOM 38274 N9 A 01839 122.994 2.983 84.875 1.00737.35 N ATOM 38275 C8 A 01839 122.470 2.409 86.009 1.00737.35 C ATOM 38276 N7 A 01839 123.374 2.041 86.882 1.00737.35 N ATOM 38277 C5 A 01839 124.576 2.395 86.285 1.00737.35 C ATOM 38278 C6 A 01839 125.913 2.266 86.702 1.00737.35 C ATOM 38279 N6 A 01839 126.276 1.729 87.870 1.00737.35 N ATOM 38280 N1 A 01839 126.876 2.719 85.872 1.00737.35 N ATOM 38281 C2 A 01839 126.512 3.260 84.703 1.00737.35 C ATOM 38282 N3 A 01839 125.292 3.435 84.199 1.00737.35 N ATOM 38283 C4 A 01839 124.356 2.976 85.049 1.00737.35 C ATOM 38284 P A 01840 119.381 -0.052 82.020 1.00737.35 P ATOM 38285 O1P A 01840 118.445 -0.338 83.141 1.00737.35 O ATOM 38286 O2P A 01840 120.657 -0.804 81.920 1.00737.35 O ATOM 38287 O5* A 01840 118.591 -0.232 80.650 1.00737.35 O ATOM 38288 C5* A 01840 118.002 -1.481 80.294 1.00737.35 C ATOM 38289 C4* A 01840 117.534 -1.449 78.857 1.00737.35 C ATOM 38290 O4* A 01840 116.541 -0.400 78.707 1.00737.35 O ATOM 38291 C3* A 01840 118.603 -1.109 77.829 1.00737.35 C ATOM 38292 O3* A 01840 119.323 -2.271 77.436 1.00737.35 O ATOM 38293 C2* A 01840 117.774 -0.543 76.679 1.00737.35 C ATOM 38294 O2* A 01840 117.188 -1.545 75.873 1.00737.35 O ATOM 38295 C1* A 01840 116.686 0.218 77.437 1.00737.35 C ATOM 38296 N9 A 01840 117.004 1.633 77.645 1.00737.35 N ATOM 38297 C8 A 01840 117.584 2.219 78.746 1.00737.35 C ATOM 38298 N7 A 01840 117.746 3.515 78.630 1.00737.35 N ATOM 38299 C5 A 01840 117.241 3.804 77.370 1.00737.35 C ATOM 38300 C6 A 01840 117.123 5.008 76.652 1.00737.35 C ATOM 38301 N6 A 01840 117.521 6.192 77.121 1.00737.35 N ATOM 38302 N1 A 01840 116.571 4.950 75.420 1.00737.35 N ATOM 38303 C2 A 01840 116.171 3.764 74.951 1.00737.35 C ATOM 38304 N3 A 01840 116.228 2.565 75.530 1.00737.35 N ATOM 38305 C4 A 01840 116.779 2.656 76.751 1.00737.35 C ATOM 38306 P G 01841 120.920 -2.197 77.246 1.00737.35 P ATOM 38307 O1P G 01841 121.378 -3.486 76.665 1.00737.35 O ATOM 38308 O2P G 01841 121.500 -1.726 78.530 1.00737.35 O ATOM 38309 O5* G 01841 121.134 -1.054 76.159 1.00737.35 O ATOM 38310 C5* G 01841 120.518 -1.135 74.875 1.00737.35 C ATOM 38311 C4* G 01841 121.008 -0.016 73.985 1.00737.35 C ATOM 38312 O4* G 01841 120.675 1.261 74.596 1.00737.35 O ATOM 38313 C3* G 01841 122.514 0.051 73.773 1.00737.35 C ATOM 38314 O3* G 01841 122.917 -0.819 72.721 1.00737.35 O ATOM 38315 C2* G 01841 122.723 1.517 73.413 1.00737.35 C ATOM 38316 O2* G 01841 122.425 1.808 72.062 1.00737.35 O ATOM 38317 C1* G 01841 121.704 2.202 74.327 1.00737.35 C ATOM 38318 N9 G 01841 122.271 2.644 75.599 1.00737.35 N ATOM 38319 C8 G 01841 122.371 1.919 76.763 1.00737.35 C ATOM 38320 N7 G 01841 122.932 2.584 77.736 1.00737.35 N ATOM 38321 C5 G 01841 123.219 3.825 77.184 1.00737.35 C ATOM 38322 C6 G 01841 123.831 4.968 77.761 1.00737.35 C ATOM 38323 O6 G 01841 124.258 5.117 78.914 1.00737.35 O ATOM 38324 N1 G 01841 123.929 6.012 76.846 1.00737.35 N ATOM 38325 C2 G 01841 123.493 5.964 75.544 1.00737.35 C ATOM 38326 N2 G 01841 123.678 7.078 74.819 1.00737.35 N ATOM 38327 N3 G 01841 122.922 4.907 74.994 1.00737.35 N ATOM 38328 C4 G 01841 122.818 3.879 75.866 1.00737.35 C ATOM 38329 P G 01842 124.426 -1.377 72.682 1.00737.35 P ATOM 38330 O1P G 01842 124.516 -2.386 71.594 1.00737.35 O ATOM 38331 O2P G 01842 124.807 -1.758 74.066 1.00737.35 O ATOM 38332 O5* G 01842 125.294 -0.107 72.263 1.00737.35 O ATOM 38333 C5* G 01842 125.191 0.450 70.953 1.00737.35 C ATOM 38334 C4* G 01842 126.167 1.595 70.790 1.00737.35 C ATOM 38335 O4* G 01842 125.802 2.671 71.695 1.00737.35 O ATOM 38336 C3* G 01842 127.614 1.285 71.135 1.00737.35 C ATOM 38337 O3* G 01842 128.286 0.688 70.030 1.00737.35 O ATOM 38338 C2* G 01842 128.169 2.664 71.470 1.00737.35 C ATOM 38339 O2* G 01842 128.513 3.420 70.323 1.00737.35 O ATOM 38340 C1* G 01842 126.975 3.310 72.176 1.00737.35 C ATOM 38341 N9 G 01842 127.014 3.172 73.630 1.00737.35 N ATOM 38342 C8 G 01842 126.345 2.247 74.397 1.00737.35 C ATOM 38343 N7 G 01842 126.578 2.373 75.676 1.00737.35 N ATOM 38344 C5 G 01842 127.454 3.448 75.759 1.00737.35 C ATOM 38345 C6 G 01842 128.059 4.051 76.892 1.00737.35 C ATOM 38346 O6 G 01842 127.935 3.749 78.086 1.00737.35 O ATOM 38347 N1 G 01842 128.881 5.114 76.526 1.00737.35 N ATOM 38348 C2 G 01842 129.095 5.539 75.239 1.00737.35 C ATOM 38349 N2 G 01842 129.927 6.582 75.094 1.00737.35 N ATOM 38350 N3 G 01842 128.537 4.986 74.174 1.00737.35 N ATOM 38351 C4 G 01842 127.735 3.952 74.507 1.00737.35 C ATOM 38352 P U 01843 129.588 -0.220 70.282 1.00737.35 P ATOM 38353 O1P U 01843 129.916 -0.921 69.015 1.00737.35 O ATOM 38354 O2P U 01843 129.358 -1.016 71.518 1.00737.35 O ATOM 38355 O5* U 01843 130.742 0.836 70.586 1.00737.35 O ATOM 38356 C5* U 01843 131.261 1.670 69.554 1.00737.35 C ATOM 38357 C4* U 01843 132.362 2.557 70.093 1.00737.35 C ATOM 38358 O4* U 01843 131.810 3.473 71.074 1.00737.35 O ATOM 38359 C3* U 01843 133.484 1.846 70.832 1.00737.35 C ATOM 38360 O3* U 01843 134.459 1.343 69.925 1.00737.35 O ATOM 38361 C2* U 01843 134.041 2.956 71.717 1.00737.35 C ATOM 38362 O2* U 01843 134.926 3.822 71.030 1.00737.35 O ATOM 38363 C1* U 01843 132.765 3.713 72.095 1.00737.35 C ATOM 38364 N1 U 01843 132.194 3.294 73.387 1.00737.35 N ATOM 38365 C2 U 01843 132.646 3.936 74.532 1.00737.35 C ATOM 38366 O2 U 01843 133.483 4.824 74.516 1.00737.35 O ATOM 38367 N3 U 01843 132.076 3.498 75.704 1.00737.35 N ATOM 38368 C4 U 01843 131.124 2.509 75.848 1.00737.35 C ATOM 38369 O4 U 01843 130.709 2.228 76.972 1.00737.35 O ATOM 38370 C5 U 01843 130.709 1.896 74.622 1.00737.35 C ATOM 38371 C6 U 01843 131.243 2.298 73.466 1.00737.35 C ATOM 38372 P C 01844 135.315 0.039 70.315 1.00737.35 P ATOM 38373 O1P C 01844 136.128 -0.328 69.127 1.00737.35 O ATOM 38374 O2P C 01844 134.401 -0.966 70.914 1.00737.35 O ATOM 38375 O5* C 01844 136.302 0.555 71.457 1.00737.35 O ATOM 38376 C5* C 01844 137.378 1.439 71.152 1.00737.35 C ATOM 38377 C4* C 01844 138.129 1.811 72.411 1.00737.35 C ATOM 38378 O4* C 01844 137.255 2.562 73.292 1.00737.35 O ATOM 38379 C3* C 01844 138.618 0.648 73.261 1.00737.35 C ATOM 38380 O3* C 01844 139.861 0.149 72.774 1.00737.35 O ATOM 38381 C2* C 01844 138.753 1.291 74.637 1.00737.35 C ATOM 38382 O2* C 01844 139.958 2.016 74.796 1.00737.35 O ATOM 38383 C1* C 01844 137.563 2.256 74.644 1.00737.35 C ATOM 38384 N1 C 01844 136.356 1.707 75.295 1.00737.35 N ATOM 38385 C2 C 01844 136.199 1.869 76.681 1.00737.35 C ATOM 38386 O2 C 01844 137.078 2.465 77.326 1.00737.35 O ATOM 38387 N3 C 01844 135.094 1.371 77.283 1.00737.35 N ATOM 38388 C4 C 01844 134.169 0.735 76.561 1.00737.35 C ATOM 38389 N4 C 01844 133.094 0.264 77.198 1.00737.35 N ATOM 38390 C5 C 01844 134.304 0.554 75.153 1.00737.35 C ATOM 38391 C6 C 01844 135.399 1.050 74.567 1.00737.35 C ATOM 38392 P A 01845 140.306 -1.361 73.111 1.00737.35 P ATOM 38393 O1P A 01845 141.250 -1.782 72.044 1.00737.35 O ATOM 38394 O2P A 01845 139.093 -2.177 73.376 1.00737.35 O ATOM 38395 O5* A 01845 141.123 -1.226 74.472 1.00737.35 O ATOM 38396 C5* A 01845 142.351 -0.500 74.522 1.00737.35 C ATOM 38397 C4* A 01845 143.092 -0.804 75.804 1.00737.35 C ATOM 38398 O4* A 01845 142.311 -0.337 76.936 1.00737.35 O ATOM 38399 C3* A 01845 143.339 -2.274 76.097 1.00737.35 C ATOM 38400 O3* A 01845 144.504 -2.743 75.424 1.00737.35 O ATOM 38401 C2* A 01845 143.512 -2.278 77.612 1.00737.35 C ATOM 38402 O2* A 01845 144.808 -1.886 78.024 1.00737.35 O ATOM 38403 C1* A 01845 142.493 -1.217 78.035 1.00737.35 C ATOM 38404 N9 A 01845 141.189 -1.775 78.404 1.00737.35 N ATOM 38405 C8 A 01845 140.108 -2.013 77.590 1.00737.35 C ATOM 38406 N7 A 01845 139.077 -2.525 78.219 1.00737.35 N ATOM 38407 C5 A 01845 139.509 -2.631 79.534 1.00737.35 C ATOM 38408 C6 A 01845 138.879 -3.103 80.700 1.00737.35 C ATOM 38409 N6 A 01845 137.630 -3.573 80.730 1.00737.35 N ATOM 38410 N1 A 01845 139.585 -3.074 81.852 1.00737.35 N ATOM 38411 C2 A 01845 140.839 -2.603 81.821 1.00737.35 C ATOM 38412 N3 A 01845 141.539 -2.133 80.793 1.00737.35 N ATOM 38413 C4 A 01845 140.808 -2.174 79.664 1.00737.35 C ATOM 38414 P A 01846 144.656 -4.306 75.081 1.00737.35 P ATOM 38415 O1P A 01846 145.876 -4.458 74.245 1.00737.35 O ATOM 38416 O2P A 01846 143.354 -4.808 74.570 1.00737.35 O ATOM 38417 O5* A 01846 144.931 -4.987 76.496 1.00737.35 O ATOM 38418 C5* A 01846 146.157 -4.763 77.190 1.00737.35 C ATOM 38419 C4* A 01846 146.110 -5.401 78.560 1.00737.35 C ATOM 38420 O4* A 01846 145.076 -4.762 79.356 1.00737.35 O ATOM 38421 C3* A 01846 145.747 -6.879 78.594 1.00737.35 C ATOM 38422 O3* A 01846 146.893 -7.695 78.365 1.00737.35 O ATOM 38423 C2* A 01846 145.210 -7.044 80.011 1.00737.35 C ATOM 38424 O2* A 01846 146.230 -7.183 80.981 1.00737.35 O ATOM 38425 C1* A 01846 144.475 -5.716 80.216 1.00737.35 C ATOM 38426 N9 A 01846 143.047 -5.790 79.908 1.00737.35 N ATOM 38427 C8 A 01846 142.419 -5.518 78.714 1.00737.35 C ATOM 38428 N7 A 01846 141.118 -5.681 78.752 1.00737.35 N ATOM 38429 C5 A 01846 140.874 -6.087 80.056 1.00737.35 C ATOM 38430 C6 A 01846 139.685 -6.420 80.732 1.00737.35 C ATOM 38431 N6 A 01846 138.477 -6.401 80.165 1.00737.35 N ATOM 38432 N1 A 01846 139.784 -6.783 82.030 1.00737.35 N ATOM 38433 C2 A 01846 140.996 -6.805 82.598 1.00737.35 C ATOM 38434 N3 A 01846 142.181 -6.513 82.068 1.00737.35 N ATOM 38435 C4 A 01846 142.049 -6.156 80.780 1.00737.35 C ATOM 38436 P G 01847 146.739 -9.073 77.549 1.00737.35 P ATOM 38437 O1P G 01847 148.051 -9.768 77.607 1.00737.35 O ATOM 38438 O2P G 01847 146.127 -8.769 76.230 1.00737.35 O ATOM 38439 O5* G 01847 145.690 -9.915 78.403 1.00737.35 O ATOM 38440 C5* G 01847 146.008 -10.368 79.718 1.00737.35 C ATOM 38441 C4* G 01847 144.774 -10.916 80.398 1.00737.35 C ATOM 38442 O4* G 01847 143.793 -9.854 80.539 1.00737.35 O ATOM 38443 C3* G 01847 144.034 -12.011 79.647 1.00737.35 C ATOM 38444 O3* G 01847 144.612 -13.289 79.905 1.00737.35 O ATOM 38445 C2* G 01847 142.623 -11.899 80.211 1.00737.35 C ATOM 38446 O2* G 01847 142.474 -12.534 81.465 1.00737.35 O ATOM 38447 C1* G 01847 142.487 -10.384 80.379 1.00737.35 C ATOM 38448 N9 G 01847 141.858 -9.727 79.234 1.00737.35 N ATOM 38449 C8 G 01847 142.484 -9.201 78.130 1.00737.35 C ATOM 38450 N7 G 01847 141.653 -8.678 77.269 1.00737.35 N ATOM 38451 C5 G 01847 140.403 -8.868 77.839 1.00737.35 C ATOM 38452 C6 G 01847 139.113 -8.511 77.366 1.00737.35 C ATOM 38453 O6 G 01847 138.809 -7.933 76.314 1.00737.35 O ATOM 38454 N1 G 01847 138.117 -8.893 78.260 1.00737.35 N ATOM 38455 C2 G 01847 138.331 -9.536 79.452 1.00737.35 C ATOM 38456 N2 G 01847 137.237 -9.822 80.174 1.00737.35 N ATOM 38457 N3 G 01847 139.527 -9.876 79.904 1.00737.35 N ATOM 38458 C4 G 01847 140.509 -9.514 79.054 1.00737.35 C ATOM 38459 P U 01848 144.501 -14.453 78.802 1.00737.35 P ATOM 38460 O1P U 01848 145.312 -15.599 79.290 1.00737.35 O ATOM 38461 O2P U 01848 144.792 -13.868 77.466 1.00737.35 O ATOM 38462 O5* U 01848 142.964 -14.875 78.836 1.00737.35 O ATOM 38463 C5* U 01848 142.433 -15.631 79.924 1.00737.35 C ATOM 38464 C4* U 01848 141.061 -16.164 79.576 1.00737.35 C ATOM 38465 O4* U 01848 140.138 -15.055 79.422 1.00737.35 O ATOM 38466 C3* U 01848 140.964 -16.924 78.263 1.00737.35 C ATOM 38467 O3* U 01848 141.327 -18.292 78.443 1.00737.35 O ATOM 38468 C2* U 01848 139.488 -16.774 77.907 1.00737.35 C ATOM 38469 O2* U 01848 138.658 -17.700 78.581 1.00737.35 O ATOM 38470 C1* U 01848 139.194 -15.357 78.406 1.00737.35 C ATOM 38471 N1 U 01848 139.273 -14.319 77.362 1.00737.35 N ATOM 38472 C2 U 01848 138.165 -14.134 76.547 1.00737.35 C ATOM 38473 O2 U 01848 137.141 -14.795 76.648 1.00737.35 O ATOM 38474 N3 U 01848 138.300 -13.147 75.600 1.00737.35 N ATOM 38475 C4 U 01848 139.402 -12.342 75.389 1.00737.35 C ATOM 38476 O4 U 01848 139.368 -11.490 74.504 1.00737.35 O ATOM 38477 C5 U 01848 140.504 -12.596 76.267 1.00737.35 C ATOM 38478 C6 U 01848 140.405 -13.549 77.198 1.00737.35 C ATOM 38479 P G 01849 142.241 -19.027 77.344 1.00737.35 P ATOM 38480 O1P G 01849 142.359 -20.451 77.748 1.00737.35 O ATOM 38481 O2P G 01849 143.473 -18.219 77.143 1.00737.35 O ATOM 38482 O5* G 01849 141.376 -18.956 76.008 1.00737.35 O ATOM 38483 C5* G 01849 140.159 -19.688 75.878 1.00737.35 C ATOM 38484 C4* G 01849 139.398 -19.225 74.657 1.00737.35 C ATOM 38485 O4* G 01849 139.024 -17.833 74.828 1.00737.35 O ATOM 38486 C3* G 01849 140.177 -19.258 73.350 1.00737.35 C ATOM 38487 O3* G 01849 140.099 -20.547 72.744 1.00737.35 O ATOM 38488 C2* G 01849 139.472 -18.190 72.523 1.00737.35 C ATOM 38489 O2* G 01849 138.275 -18.648 71.924 1.00737.35 O ATOM 38490 C1* G 01849 139.150 -17.146 73.594 1.00737.35 C ATOM 38491 N9 G 01849 140.183 -16.123 73.741 1.00737.35 N ATOM 38492 C8 G 01849 141.183 -16.087 74.685 1.00737.35 C ATOM 38493 N7 G 01849 141.957 -15.042 74.573 1.00737.35 N ATOM 38494 C5 G 01849 141.439 -14.345 73.491 1.00737.35 C ATOM 38495 C6 G 01849 141.860 -13.128 72.899 1.00737.35 C ATOM 38496 O6 G 01849 142.803 -12.397 73.223 1.00737.35 O ATOM 38497 N1 G 01849 141.053 -12.780 71.817 1.00737.35 N ATOM 38498 C2 G 01849 139.980 -13.506 71.367 1.00737.35 C ATOM 38499 N2 G 01849 139.331 -13.005 70.307 1.00737.35 N ATOM 38500 N3 G 01849 139.576 -14.642 71.913 1.00737.35 N ATOM 38501 C4 G 01849 140.346 -15.001 72.964 1.00737.35 C ATOM 38502 P G 01850 141.143 -20.956 71.587 1.00737.35 P ATOM 38503 O1P G 01850 141.603 -22.342 71.853 1.00737.35 O ATOM 38504 O2P G 01850 142.145 -19.867 71.447 1.00737.35 O ATOM 38505 O5* G 01850 140.255 -20.968 70.265 1.00737.35 O ATOM 38506 C5* G 01850 139.194 -21.911 70.103 1.00737.35 C ATOM 38507 C4* G 01850 138.346 -21.550 68.906 1.00737.35 C ATOM 38508 O4* G 01850 137.711 -20.263 69.135 1.00737.35 O ATOM 38509 C3* G 01850 139.090 -21.375 67.592 1.00737.35 C ATOM 38510 O3* G 01850 139.291 -22.631 66.950 1.00737.35 O ATOM 38511 C2* G 01850 138.146 -20.474 66.805 1.00737.35 C ATOM 38512 O2* G 01850 137.073 -21.175 66.209 1.00737.35 O ATOM 38513 C1* G 01850 137.613 -19.555 67.908 1.00737.35 C ATOM 38514 N9 G 01850 138.353 -18.303 68.036 1.00737.35 N ATOM 38515 C8 G 01850 139.396 -18.033 68.894 1.00737.35 C ATOM 38516 N7 G 01850 139.855 -16.818 68.773 1.00737.35 N ATOM 38517 C5 G 01850 139.074 -16.249 67.777 1.00737.35 C ATOM 38518 C6 G 01850 139.108 -14.946 67.215 1.00737.35 C ATOM 38519 O6 G 01850 139.858 -14.004 67.495 1.00737.35 O ATOM 38520 N1 G 01850 138.137 -14.791 66.230 1.00737.35 N ATOM 38521 C2 G 01850 137.253 -15.761 65.831 1.00737.35 C ATOM 38522 N2 G 01850 136.392 -15.416 64.863 1.00737.35 N ATOM 38523 N3 G 01850 137.209 -16.979 66.349 1.00737.35 N ATOM 38524 C4 G 01850 138.142 -17.152 67.310 1.00737.35 C ATOM 38525 P A 01851 140.468 -22.794 65.866 1.00737.35 P ATOM 38526 O1P A 01851 140.574 -24.231 65.511 1.00737.35 O ATOM 38527 O2P A 01851 141.664 -22.078 66.378 1.00737.35 O ATOM 38528 O5* A 01851 139.928 -22.001 64.591 1.00737.35 O ATOM 38529 C5* A 01851 138.771 -22.449 63.890 1.00737.35 C ATOM 38530 C4* A 01851 138.356 -21.430 62.852 1.00737.35 C ATOM 38531 O4* A 01851 137.988 -20.191 63.517 1.00737.35 O ATOM 38532 C3* A 01851 139.427 -21.016 61.858 1.00737.35 C ATOM 38533 O3* A 01851 139.505 -21.939 60.778 1.00737.35 O ATOM 38534 C2* A 01851 138.930 -19.649 61.401 1.00737.35 C ATOM 38535 O2* A 01851 137.919 -19.726 60.414 1.00737.35 O ATOM 38536 C1* A 01851 138.344 -19.087 62.699 1.00737.35 C ATOM 38537 N9 A 01851 139.280 -18.240 63.440 1.00737.35 N ATOM 38538 C8 A 01851 140.166 -18.608 64.426 1.00737.35 C ATOM 38539 N7 A 01851 140.875 -17.612 64.896 1.00737.35 N ATOM 38540 C5 A 01851 140.430 -16.513 64.174 1.00737.35 C ATOM 38541 C6 A 01851 140.790 -15.154 64.202 1.00737.35 C ATOM 38542 N6 A 01851 141.721 -14.650 65.017 1.00737.35 N ATOM 38543 N1 A 01851 140.153 -14.320 63.353 1.00737.35 N ATOM 38544 C2 A 01851 139.221 -14.825 62.537 1.00737.35 C ATOM 38545 N3 A 01851 138.794 -16.079 62.418 1.00737.35 N ATOM 38546 C4 A 01851 139.447 -16.886 63.275 1.00737.35 C ATOM 38547 P G 01852 140.923 -22.228 60.073 1.00737.35 P ATOM 38548 O1P G 01852 140.694 -23.156 58.936 1.00737.35 O ATOM 38549 O2P G 01852 141.886 -22.601 61.142 1.00737.35 O ATOM 38550 O5* G 01852 141.360 -20.812 59.485 1.00737.35 O ATOM 38551 C5* G 01852 140.562 -20.147 58.509 1.00737.35 C ATOM 38552 C4* G 01852 141.129 -18.779 58.210 1.00737.35 C ATOM 38553 O4* G 01852 141.111 -17.975 59.418 1.00737.35 O ATOM 38554 C3* G 01852 142.583 -18.748 57.762 1.00737.35 C ATOM 38555 O3* G 01852 142.691 -18.993 56.362 1.00737.35 O ATOM 38556 C2* G 01852 143.002 -17.329 58.127 1.00737.35 C ATOM 38557 O2* G 01852 142.591 -16.365 57.178 1.00737.35 O ATOM 38558 C1* G 01852 142.245 -17.119 59.440 1.00737.35 C ATOM 38559 N9 G 01852 143.041 -17.428 60.627 1.00737.35 N ATOM 38560 C8 G 01852 142.970 -18.560 61.406 1.00737.35 C ATOM 38561 N7 G 01852 143.811 -18.551 62.404 1.00737.35 N ATOM 38562 C5 G 01852 144.482 -17.341 62.276 1.00737.35 C ATOM 38563 C6 G 01852 145.514 -16.773 63.069 1.00737.35 C ATOM 38564 O6 G 01852 146.059 -17.241 64.078 1.00737.35 O ATOM 38565 N1 G 01852 145.906 -15.529 62.584 1.00737.35 N ATOM 38566 C2 G 01852 145.376 -14.910 61.478 1.00737.35 C ATOM 38567 N2 G 01852 145.893 -13.711 61.166 1.00737.35 N ATOM 38568 N3 G 01852 144.415 -15.426 60.732 1.00737.35 N ATOM 38569 C4 G 01852 144.019 -16.635 61.185 1.00737.35 C ATOM 38570 P C 01853 144.065 -19.572 55.755 1.00737.35 P ATOM 38571 O1P C 01853 143.854 -19.838 54.309 1.00737.35 O ATOM 38572 O2P C 01853 144.524 -20.670 56.644 1.00737.35 O ATOM 38573 O5* C 01853 145.089 -18.360 55.898 1.00737.35 O ATOM 38574 C5* C 01853 144.899 -17.150 55.165 1.00737.35 C ATOM 38575 C4* C 01853 145.945 -16.129 55.553 1.00737.35 C ATOM 38576 O4* C 01853 145.783 -15.780 56.952 1.00737.35 O ATOM 38577 C3* C 01853 147.390 -16.589 55.445 1.00737.35 C ATOM 38578 O3* C 01853 147.875 -16.441 54.114 1.00737.35 O ATOM 38579 C2* C 01853 148.099 -15.657 56.421 1.00737.35 C ATOM 38580 O2* C 01853 148.375 -14.383 55.870 1.00737.35 O ATOM 38581 C1* C 01853 147.053 -15.526 57.531 1.00737.35 C ATOM 38582 N1 C 01853 147.260 -16.465 58.654 1.00737.35 N ATOM 38583 C2 C 01853 148.144 -16.102 59.686 1.00737.35 C ATOM 38584 O2 C 01853 148.727 -15.006 59.632 1.00737.35 O ATOM 38585 N3 C 01853 148.337 -16.956 60.719 1.00737.35 N ATOM 38586 C4 C 01853 147.696 -18.126 60.747 1.00737.35 C ATOM 38587 N4 C 01853 147.921 -18.935 61.785 1.00737.35 N ATOM 38588 C5 C 01853 146.798 -18.522 59.712 1.00737.35 C ATOM 38589 C6 C 01853 146.614 -17.669 58.696 1.00737.35 C ATOM 38590 P G 01854 149.047 -17.404 53.580 1.00737.35 P ATOM 38591 O1P G 01854 149.265 -17.111 52.141 1.00737.35 O ATOM 38592 O2P G 01854 148.725 -18.789 54.002 1.00737.35 O ATOM 38593 O5* G 01854 150.333 -16.929 54.392 1.00737.35 O ATOM 38594 C5* G 01854 150.933 -15.660 54.136 1.00737.35 C ATOM 38595 C4* G 01854 152.099 -15.431 55.070 1.00737.35 C ATOM 38596 O4* G 01854 151.616 -15.346 56.438 1.00737.35 O ATOM 38597 C3* G 01854 153.145 -16.535 55.110 1.00737.35 C ATOM 38598 O3* G 01854 154.082 -16.394 54.047 1.00737.35 O ATOM 38599 C2* G 01854 153.785 -16.321 56.477 1.00737.35 C ATOM 38600 O2* G 01854 154.745 -15.283 56.485 1.00737.35 O ATOM 38601 C1* G 01854 152.572 -15.918 57.319 1.00737.35 C ATOM 38602 N9 G 01854 151.949 -17.044 58.012 1.00737.35 N ATOM 38603 C8 G 01854 150.821 -17.734 57.638 1.00737.35 C ATOM 38604 N7 G 01854 150.510 -18.696 58.463 1.00737.35 N ATOM 38605 C5 G 01854 151.492 -18.638 59.443 1.00737.35 C ATOM 38606 C6 G 01854 151.680 -19.435 60.603 1.00737.35 C ATOM 38607 O6 G 01854 150.994 -20.383 61.010 1.00737.35 O ATOM 38608 N1 G 01854 152.804 -19.037 61.320 1.00737.35 N ATOM 38609 C2 G 01854 153.638 -18.004 60.971 1.00737.35 C ATOM 38610 N2 G 01854 154.671 -17.773 61.794 1.00737.35 N ATOM 38611 N3 G 01854 153.474 -17.253 59.894 1.00737.35 N ATOM 38612 C4 G 01854 152.389 -17.624 59.182 1.00737.35 C ATOM 38613 P G 01855 154.934 -17.670 53.561 1.00737.35 P ATOM 38614 O1P G 01855 155.581 -17.327 52.269 1.00737.35 O ATOM 38615 O2P G 01855 154.056 -18.866 53.643 1.00737.35 O ATOM 38616 O5* G 01855 156.070 -17.815 54.669 1.00737.35 O ATOM 38617 C5* G 01855 157.138 -16.876 54.748 1.00737.35 C ATOM 38618 C4* G 01855 158.157 -17.314 55.773 1.00737.35 C ATOM 38619 O4* G 01855 157.570 -17.267 57.101 1.00737.35 O ATOM 38620 C3* G 01855 158.667 -18.742 55.646 1.00737.35 C ATOM 38621 O3* G 01855 159.705 -18.834 54.675 1.00737.35 O ATOM 38622 C2* G 01855 159.171 -19.030 57.056 1.00737.35 C ATOM 38623 O2* G 01855 160.458 -18.502 57.305 1.00737.35 O ATOM 38624 C1* G 01855 158.136 -18.289 57.908 1.00737.35 C ATOM 38625 N9 G 01855 157.060 -19.148 58.399 1.00737.35 N ATOM 38626 C8 G 01855 155.830 -19.359 57.821 1.00737.35 C ATOM 38627 N7 G 01855 155.080 -20.186 58.496 1.00737.35 N ATOM 38628 C5 G 01855 155.861 -20.544 59.587 1.00737.35 C ATOM 38629 C6 G 01855 155.579 -21.418 60.671 1.00737.35 C ATOM 38630 O6 G 01855 154.551 -22.070 60.891 1.00737.35 O ATOM 38631 N1 G 01855 156.651 -21.495 61.555 1.00737.35 N ATOM 38632 C2 G 01855 157.839 -20.821 61.418 1.00737.35 C ATOM 38633 N2 G 01855 158.753 -21.030 62.379 1.00737.35 N ATOM 38634 N3 G 01855 158.112 -20.005 60.415 1.00737.35 N ATOM 38635 C4 G 01855 157.086 -19.914 59.541 1.00737.35 C ATOM 38636 P U 01856 159.962 -20.224 53.908 1.00737.35 P ATOM 38637 O1P U 01856 160.976 -19.990 52.848 1.00737.35 O ATOM 38638 O2P U 01856 158.638 -20.789 53.541 1.00737.35 O ATOM 38639 O5* U 01856 160.606 -21.165 55.021 1.00737.35 O ATOM 38640 C5* U 01856 161.821 -20.804 55.676 1.00737.35 C ATOM 38641 C4* U 01856 162.068 -21.705 56.864 1.00737.35 C ATOM 38642 O4* U 01856 160.981 -21.546 57.815 1.00737.35 O ATOM 38643 C3* U 01856 162.096 -23.194 56.567 1.00737.35 C ATOM 38644 O3* U 01856 163.390 -23.603 56.136 1.00737.35 O ATOM 38645 C2* U 01856 161.730 -23.803 57.916 1.00737.35 C ATOM 38646 O2* U 01856 162.826 -23.879 58.807 1.00737.35 O ATOM 38647 C1* U 01856 160.708 -22.791 58.441 1.00737.35 C ATOM 38648 N1 U 01856 159.311 -23.167 58.158 1.00737.35 N ATOM 38649 C2 U 01856 158.656 -23.973 59.081 1.00737.35 C ATOM 38650 O2 U 01856 159.185 -24.377 60.104 1.00737.35 O ATOM 38651 N3 U 01856 157.359 -24.286 58.759 1.00737.35 N ATOM 38652 C4 U 01856 156.660 -23.889 57.638 1.00737.35 C ATOM 38653 O4 U 01856 155.494 -24.257 57.490 1.00737.35 O ATOM 38654 C5 U 01856 157.399 -23.062 56.734 1.00737.35 C ATOM 38655 C6 U 01856 158.665 -22.736 57.017 1.00737.35 C ATOM 38656 P A 03865 165.235 -24.041 56.512 1.00643.77 P ATOM 38657 O1P A 03865 164.790 -23.178 55.389 1.00643.77 O ATOM 38658 O2P A 03865 166.587 -24.641 56.474 1.00643.77 O ATOM 38659 O5* A 03865 164.219 -25.247 56.682 1.00643.77 O ATOM 38660 C5* A 03865 164.608 -26.442 57.366 1.00643.77 C ATOM 38661 C4* A 03865 163.674 -27.559 56.985 1.00643.77 C ATOM 38662 O4* A 03865 162.351 -26.991 57.169 1.00643.77 O ATOM 38663 C3* A 03865 163.777 -27.919 55.503 1.00643.77 C ATOM 38664 O3* A 03865 163.786 -29.335 55.315 1.00643.77 O ATOM 38665 C2* A 03865 162.514 -27.322 54.896 1.00643.77 C ATOM 38666 O2* A 03865 162.020 -28.062 53.800 1.00643.77 O ATOM 38667 C1* A 03865 161.553 -27.330 56.083 1.00643.77 C ATOM 38668 N9 A 03865 160.572 -26.277 55.904 1.00643.77 N ATOM 38669 C8 A 03865 160.813 -25.007 55.478 1.00643.77 C ATOM 38670 N7 A 03865 159.731 -24.288 55.323 1.00643.77 N ATOM 38671 C5 A 03865 158.708 -25.148 55.694 1.00643.77 C ATOM 38672 C6 A 03865 157.323 -24.995 55.749 1.00643.77 C ATOM 38673 N6 A 03865 156.677 -23.877 55.445 1.00643.77 N ATOM 38674 N1 A 03865 156.603 -26.050 56.151 1.00643.77 N ATOM 38675 C2 A 03865 157.237 -27.171 56.491 1.00643.77 C ATOM 38676 N3 A 03865 158.524 -27.434 56.490 1.00643.77 N ATOM 38677 C4 A 03865 159.216 -26.370 56.071 1.00643.77 C ATOM 38678 P A 03866 164.505 -29.977 54.024 1.00643.77 P ATOM 38679 O1P A 03866 165.912 -29.508 53.993 1.00643.77 O ATOM 38680 O2P A 03866 163.625 -29.757 52.841 1.00643.77 O ATOM 38681 O5* A 03866 164.530 -31.532 54.358 1.00643.77 O ATOM 38682 C5* A 03866 165.075 -31.998 55.590 1.00643.77 C ATOM 38683 C4* A 03866 164.129 -32.973 56.261 1.00643.77 C ATOM 38684 O4* A 03866 162.972 -32.314 56.838 1.00643.77 O ATOM 38685 C3* A 03866 163.504 -34.011 55.361 1.00643.77 C ATOM 38686 O3* A 03866 164.433 -35.023 55.027 1.00643.77 O ATOM 38687 C2* A 03866 162.351 -34.515 56.221 1.00643.77 C ATOM 38688 O2* A 03866 162.734 -35.451 57.213 1.00643.77 O ATOM 38689 C1* A 03866 161.886 -33.219 56.876 1.00643.77 C ATOM 38690 N9 A 03866 160.764 -32.615 56.183 1.00643.77 N ATOM 38691 C8 A 03866 160.726 -31.417 55.527 1.00643.77 C ATOM 38692 N7 A 03866 159.562 -31.145 55.002 1.00643.77 N ATOM 38693 C5 A 03866 158.783 -32.244 55.339 1.00643.77 C ATOM 38694 C6 A 03866 157.455 -32.566 55.077 1.00643.77 C ATOM 38695 N6 A 03866 156.616 -31.771 54.412 1.00643.77 N ATOM 38696 N1 A 03866 156.996 -33.739 55.535 1.00643.77 N ATOM 38697 C2 A 03866 157.817 -34.518 56.230 1.00643.77 C ATOM 38698 N3 A 03866 159.082 -34.321 56.550 1.00643.77 N ATOM 38699 C4 A 03866 159.509 -33.151 56.062 1.00643.77 C ATOM 38700 P G 03867 164.870 -35.966 53.639 1.00643.77 P ATOM 38701 O1P G 03867 165.457 -37.321 53.484 1.00643.77 O ATOM 38702 O2P G 03867 165.398 -34.843 52.823 1.00643.77 O ATOM 38703 O5* G 03867 163.300 -36.067 53.382 1.00643.77 O ATOM 38704 C5* G 03867 162.536 -37.134 53.934 1.00643.77 C ATOM 38705 C4* G 03867 161.114 -37.089 53.424 1.00643.77 C ATOM 38706 O4* G 03867 160.448 -35.902 53.930 1.00643.77 O ATOM 38707 C3* G 03867 160.944 -36.992 51.916 1.00643.77 C ATOM 38708 O3* G 03867 161.052 -38.273 51.303 1.00643.77 O ATOM 38709 C2* G 03867 159.543 -36.407 51.787 1.00643.77 C ATOM 38710 O2* G 03867 158.522 -37.376 51.925 1.00643.77 O ATOM 38711 C1* G 03867 159.502 -35.443 52.976 1.00643.77 C ATOM 38712 N9 G 03867 159.824 -34.062 52.621 1.00643.77 N ATOM 38713 C8 G 03867 161.055 -33.449 52.688 1.00643.77 C ATOM 38714 N7 G 03867 161.028 -32.202 52.299 1.00643.77 N ATOM 38715 C5 G 03867 159.702 -31.980 51.951 1.00643.77 C ATOM 38716 C6 G 03867 159.067 -30.809 51.456 1.00643.77 C ATOM 38717 O6 G 03867 159.564 -29.701 51.220 1.00643.77 O ATOM 38718 N1 G 03867 157.710 -31.021 51.235 1.00643.77 N ATOM 38719 C2 G 03867 157.046 -32.202 51.460 1.00643.77 C ATOM 38720 N2 G 03867 155.734 -32.207 51.181 1.00643.77 N ATOM 38721 N3 G 03867 157.627 -33.299 51.920 1.00643.77 N ATOM 38722 C4 G 03867 158.947 -33.116 52.142 1.00643.77 C ATOM 38723 P U 03868 161.536 -38.389 49.774 1.00643.77 P ATOM 38724 O1P U 03868 161.718 -39.827 49.449 1.00643.77 O ATOM 38725 O2P U 03868 162.671 -37.451 49.588 1.00643.77 O ATOM 38726 O5* U 03868 160.300 -37.835 48.933 1.00643.77 O ATOM 38727 C5* U 03868 159.015 -38.450 49.025 1.00643.77 C ATOM 38728 C4* U 03868 157.969 -37.584 48.363 1.00643.77 C ATOM 38729 O4* U 03868 157.906 -36.304 49.050 1.00643.77 O ATOM 38730 C3* U 03868 158.236 -37.222 46.912 1.00643.77 C ATOM 38731 O3* U 03868 157.775 -38.248 46.037 1.00643.77 O ATOM 38732 C2* U 03868 157.437 -35.934 46.747 1.00643.77 C ATOM 38733 O2* U 03868 156.060 -36.159 46.519 1.00643.77 O ATOM 38734 C1* U 03868 157.634 -35.273 48.114 1.00643.77 C ATOM 38735 N1 U 03868 158.743 -34.303 48.142 1.00643.77 N ATOM 38736 C2 U 03868 158.465 -32.988 47.795 1.00643.77 C ATOM 38737 O2 U 03868 157.352 -32.606 47.470 1.00643.77 O ATOM 38738 N3 U 03868 159.540 -32.136 47.842 1.00643.77 N ATOM 38739 C4 U 03868 160.837 -32.450 48.193 1.00643.77 C ATOM 38740 O4 U 03868 161.696 -31.569 48.186 1.00643.77 O ATOM 38741 C5 U 03868 161.046 -33.822 48.538 1.00643.77 C ATOM 38742 C6 U 03868 160.021 -34.680 48.504 1.00643.77 C ATOM 38743 P G 03869 158.581 -38.567 44.684 1.00643.77 P ATOM 38744 O1P G 03869 157.856 -39.641 43.958 1.00643.77 O ATOM 38745 O2P G 03869 160.007 -38.764 45.047 1.00643.77 O ATOM 38746 O5* G 03869 158.468 -37.222 43.837 1.00643.77 O ATOM 38747 C5* G 03869 157.203 -36.745 43.382 1.00643.77 C ATOM 38748 C4* G 03869 157.338 -35.343 42.834 1.00643.77 C ATOM 38749 O4* G 03869 157.784 -34.457 43.895 1.00643.77 O ATOM 38750 C3* G 03869 158.372 -35.163 41.734 1.00643.77 C ATOM 38751 O3* G 03869 157.827 -35.484 40.457 1.00643.77 O ATOM 38752 C2* G 03869 158.717 -33.684 41.852 1.00643.77 C ATOM 38753 O2* G 03869 157.769 -32.838 41.231 1.00643.77 O ATOM 38754 C1* G 03869 158.676 -33.488 43.369 1.00643.77 C ATOM 38755 N9 G 03869 159.977 -33.664 44.014 1.00643.77 N ATOM 38756 C8 G 03869 160.565 -34.849 44.386 1.00643.77 C ATOM 38757 N7 G 03869 161.737 -34.690 44.938 1.00643.77 N ATOM 38758 C5 G 03869 161.937 -33.316 44.931 1.00643.77 C ATOM 38759 C6 G 03869 163.033 -32.545 45.400 1.00643.77 C ATOM 38760 O6 G 03869 164.077 -32.936 45.930 1.00643.77 O ATOM 38761 N1 G 03869 162.822 -31.184 45.197 1.00643.77 N ATOM 38762 C2 G 03869 161.706 -30.634 44.620 1.00643.77 C ATOM 38763 N2 G 03869 161.693 -29.299 44.514 1.00643.77 N ATOM 38764 N3 G 03869 160.677 -31.339 44.178 1.00643.77 N ATOM 38765 C4 G 03869 160.859 -32.666 44.364 1.00643.77 C ATOM 38766 P C 03870 158.761 -36.163 39.337 1.00643.77 P ATOM 38767 O1P C 03870 157.930 -36.407 38.132 1.00643.77 O ATOM 38768 O2P C 03870 159.477 -37.297 39.978 1.00643.77 O ATOM 38769 O5* C 03870 159.822 -35.026 38.983 1.00643.77 O ATOM 38770 C5* C 03870 161.151 -35.358 38.581 1.00643.77 C ATOM 38771 C4* C 03870 161.722 -34.266 37.707 1.00643.77 C ATOM 38772 O4* C 03870 160.980 -34.211 36.461 1.00643.77 O ATOM 38773 C3* C 03870 161.635 -32.854 38.264 1.00643.77 C ATOM 38774 O3* C 03870 162.733 -32.582 39.131 1.00643.77 O ATOM 38775 C2* C 03870 161.686 -32.000 37.003 1.00643.77 C ATOM 38776 O2* C 03870 163.000 -31.797 36.520 1.00643.77 O ATOM 38777 C1* C 03870 160.900 -32.866 36.012 1.00643.77 C ATOM 38778 N1 C 03870 159.478 -32.490 35.879 1.00643.77 N ATOM 38779 C2 C 03870 159.122 -31.486 34.962 1.00643.77 C ATOM 38780 O2 C 03870 160.013 -30.935 34.290 1.00643.77 O ATOM 38781 N3 C 03870 157.822 -31.142 34.830 1.00643.77 N ATOM 38782 C4 C 03870 156.892 -31.754 35.566 1.00643.77 C ATOM 38783 N4 C 03870 155.620 -31.382 35.400 1.00643.77 N ATOM 38784 C5 C 03870 157.221 -32.772 36.507 1.00643.77 C ATOM 38785 C6 C 03870 158.513 -33.105 36.629 1.00643.77 C ATOM 38786 P A 03871 162.496 -31.747 40.484 1.00643.77 P ATOM 38787 O1P A 03871 163.813 -31.537 41.137 1.00643.77 O ATOM 38788 O2P A 03871 161.406 -32.416 41.236 1.00643.77 O ATOM 38789 O5* A 03871 161.952 -30.334 39.981 1.00643.77 O ATOM 38790 C5* A 03871 162.800 -29.431 39.276 1.00643.77 C ATOM 38791 C4* A 03871 162.001 -28.262 38.747 1.00643.77 C ATOM 38792 O4* A 03871 161.016 -28.744 37.796 1.00643.77 O ATOM 38793 C3* A 03871 161.184 -27.497 39.779 1.00643.77 C ATOM 38794 O3* A 03871 161.982 -26.518 40.439 1.00643.77 O ATOM 38795 C2* A 03871 160.096 -26.864 38.920 1.00643.77 C ATOM 38796 O2* A 03871 160.521 -25.691 38.253 1.00643.77 O ATOM 38797 C1* A 03871 159.831 -27.973 37.899 1.00643.77 C ATOM 38798 N9 A 03871 158.732 -28.865 38.283 1.00643.77 N ATOM 38799 C8 A 03871 158.781 -29.961 39.110 1.00643.77 C ATOM 38800 N7 A 03871 157.625 -30.560 39.264 1.00643.77 N ATOM 38801 C5 A 03871 156.754 -29.810 38.484 1.00643.77 C ATOM 38802 C6 A 03871 155.379 -29.927 38.226 1.00643.77 C ATOM 38803 N6 A 03871 154.606 -30.883 38.746 1.00643.77 N ATOM 38804 N1 A 03871 154.814 -29.014 37.404 1.00643.77 N ATOM 38805 C2 A 03871 155.589 -28.053 36.886 1.00643.77 C ATOM 38806 N3 A 03871 156.893 -27.838 37.053 1.00643.77 N ATOM 38807 C4 A 03871 157.423 -28.763 37.876 1.00643.77 C ATOM 38808 P A 03872 161.576 -26.020 41.916 1.00643.77 P ATOM 38809 O1P A 03872 162.672 -25.154 42.427 1.00643.77 O ATOM 38810 O2P A 03872 161.161 -27.211 42.698 1.00643.77 O ATOM 38811 O5* A 03872 160.290 -25.112 41.678 1.00643.77 O ATOM 38812 C5* A 03872 160.380 -23.883 40.962 1.00643.77 C ATOM 38813 C4* A 03872 159.001 -23.380 40.597 1.00643.77 C ATOM 38814 O4* A 03872 158.351 -24.360 39.743 1.00643.77 O ATOM 38815 C3* A 03872 158.031 -23.191 41.754 1.00643.77 C ATOM 38816 O3* A 03872 158.199 -21.918 42.368 1.00643.77 O ATOM 38817 C2* A 03872 156.680 -23.292 41.054 1.00643.77 C ATOM 38818 O2* A 03872 156.300 -22.096 40.403 1.00643.77 O ATOM 38819 C1* A 03872 156.957 -24.380 40.014 1.00643.77 C ATOM 38820 N9 A 03872 156.593 -25.721 40.481 1.00643.77 N ATOM 38821 C8 A 03872 157.398 -26.661 41.080 1.00643.77 C ATOM 38822 N7 A 03872 156.772 -27.771 41.393 1.00643.77 N ATOM 38823 C5 A 03872 155.469 -27.550 40.970 1.00643.77 C ATOM 38824 C6 A 03872 154.309 -28.346 41.018 1.00643.77 C ATOM 38825 N6 A 03872 154.278 -29.576 41.533 1.00643.77 N ATOM 38826 N1 A 03872 153.170 -27.826 40.510 1.00643.77 N ATOM 38827 C2 A 03872 153.205 -26.591 39.993 1.00643.77 C ATOM 38828 N3 A 03872 154.228 -25.747 39.892 1.00643.77 N ATOM 38829 C4 A 03872 155.345 -26.293 40.405 1.00643.77 C ATOM 38830 P G 03873 158.212 -21.795 43.975 1.00643.77 P ATOM 38831 O1P G 03873 158.063 -20.363 44.331 1.00643.77 O ATOM 38832 O2P G 03873 159.391 -22.554 44.468 1.00643.77 O ATOM 38833 O5* G 03873 156.898 -22.568 44.447 1.00643.77 O ATOM 38834 C5* G 03873 155.618 -22.236 43.914 1.00643.77 C ATOM 38835 C4* G 03873 154.675 -23.410 44.048 1.00643.77 C ATOM 38836 O4* G 03873 155.278 -24.571 43.411 1.00643.77 O ATOM 38837 C3* G 03873 154.382 -23.870 45.467 1.00643.77 C ATOM 38838 O3* G 03873 153.313 -23.114 46.034 1.00643.77 O ATOM 38839 C2* G 03873 153.998 -25.331 45.260 1.00643.77 C ATOM 38840 O2* G 03873 152.668 -25.497 44.807 1.00643.77 O ATOM 38841 C1* G 03873 154.968 -25.741 44.154 1.00643.77 C ATOM 38842 N9 G 03873 156.216 -26.310 44.661 1.00643.77 N ATOM 38843 C8 G 03873 157.403 -25.651 44.881 1.00643.77 C ATOM 38844 N7 G 03873 158.343 -26.428 45.348 1.00643.77 N ATOM 38845 C5 G 03873 157.741 -27.676 45.441 1.00643.77 C ATOM 38846 C6 G 03873 158.268 -28.917 45.886 1.00643.77 C ATOM 38847 O6 G 03873 159.406 -29.169 46.299 1.00643.77 O ATOM 38848 N1 G 03873 157.317 -29.929 45.820 1.00643.77 N ATOM 38849 C2 G 03873 156.026 -29.773 45.380 1.00643.77 C ATOM 38850 N2 G 03873 155.259 -30.872 45.389 1.00643.77 N ATOM 38851 N3 G 03873 155.521 -28.621 44.964 1.00643.77 N ATOM 38852 C4 G 03873 156.430 -27.622 45.020 1.00643.77 C ATOM 38853 P C 03874 153.166 -23.007 47.631 1.00643.77 P ATOM 38854 O1P C 03874 152.082 -22.036 47.931 1.00643.77 O ATOM 38855 O2P C 03874 154.520 -22.787 48.200 1.00643.77 O ATOM 38856 O5* C 03874 152.675 -24.458 48.077 1.00643.77 O ATOM 38857 C5* C 03874 151.481 -25.024 47.539 1.00643.77 C ATOM 38858 C4* C 03874 151.319 -26.451 48.012 1.00643.77 C ATOM 38859 O4* C 03874 152.474 -27.227 47.592 1.00643.77 O ATOM 38860 C3* C 03874 151.260 -26.650 49.518 1.00643.77 C ATOM 38861 O3* C 03874 149.933 -26.454 50.002 1.00643.77 O ATOM 38862 C2* C 03874 151.719 -28.092 49.675 1.00643.77 C ATOM 38863 O2* C 03874 150.694 -29.035 49.424 1.00643.77 O ATOM 38864 C1* C 03874 152.789 -28.193 48.584 1.00643.77 C ATOM 38865 N1 C 03874 154.160 -27.942 49.074 1.00643.77 N ATOM 38866 C2 C 03874 154.905 -29.015 49.596 1.00643.77 C ATOM 38867 O2 C 03874 154.391 -30.148 49.634 1.00643.77 O ATOM 38868 N3 C 03874 156.159 -28.792 50.046 1.00643.77 N ATOM 38869 C4 C 03874 156.681 -27.564 49.991 1.00643.77 C ATOM 38870 N4 C 03874 157.922 -27.392 50.448 1.00643.77 N ATOM 38871 C5 C 03874 155.948 -26.456 49.470 1.00643.77 C ATOM 38872 C6 C 03874 154.707 -26.687 49.025 1.00643.77 C ATOM 38873 P A 03875 150.436 -26.284 51.733 1.00643.77 P ATOM 38874 O1P A 03875 149.036 -26.330 52.220 1.00643.77 O ATOM 38875 O2P A 03875 151.194 -25.024 51.778 1.00643.77 O ATOM 38876 O5* A 03875 151.328 -27.358 52.492 1.00643.77 O ATOM 38877 C5* A 03875 150.938 -28.714 52.560 1.00643.77 C ATOM 38878 C4* A 03875 152.093 -29.551 53.034 1.00643.77 C ATOM 38879 O4* A 03875 153.228 -29.315 52.177 1.00643.77 O ATOM 38880 C3* A 03875 152.617 -29.176 54.396 1.00643.77 C ATOM 38881 O3* A 03875 151.782 -29.811 55.342 1.00643.77 O ATOM 38882 C2* A 03875 154.026 -29.753 54.357 1.00643.77 C ATOM 38883 O2* A 03875 154.057 -31.128 54.605 1.00643.77 O ATOM 38884 C1* A 03875 154.408 -29.527 52.903 1.00643.77 C ATOM 38885 N9 A 03875 155.249 -28.365 52.685 1.00643.77 N ATOM 38886 C8 A 03875 154.893 -27.174 52.118 1.00643.77 C ATOM 38887 N7 A 03875 155.875 -26.312 52.054 1.00643.77 N ATOM 38888 C5 A 03875 156.943 -26.987 52.618 1.00643.77 C ATOM 38889 C6 A 03875 158.244 -26.622 52.844 1.00643.77 C ATOM 38890 N6 A 03875 158.726 -25.438 52.520 1.00643.77 N ATOM 38891 N1 A 03875 159.058 -27.519 53.427 1.00643.77 N ATOM 38892 C2 A 03875 158.564 -28.715 53.752 1.00643.77 C ATOM 38893 N3 A 03875 157.346 -29.180 53.589 1.00643.77 N ATOM 38894 C4 A 03875 156.572 -28.250 53.010 1.00643.77 C ATOM 38895 P A 03876 151.922 -29.470 56.900 1.00643.77 P ATOM 38896 O1P A 03876 150.543 -29.307 57.409 1.00643.77 O ATOM 38897 O2P A 03876 152.915 -28.383 57.045 1.00643.77 O ATOM 38898 O5* A 03876 152.556 -30.766 57.565 1.00643.77 O ATOM 38899 C5* A 03876 151.826 -31.973 57.691 1.00643.77 C ATOM 38900 C4* A 03876 152.709 -33.024 58.322 1.00643.77 C ATOM 38901 O4* A 03876 153.942 -33.055 57.571 1.00643.77 O ATOM 38902 C3* A 03876 153.194 -32.658 59.707 1.00643.77 C ATOM 38903 O3* A 03876 152.246 -33.002 60.690 1.00643.77 O ATOM 38904 C2* A 03876 154.454 -33.491 59.823 1.00643.77 C ATOM 38905 O2* A 03876 154.158 -34.856 60.021 1.00643.77 O ATOM 38906 C1* A 03876 155.027 -33.323 58.430 1.00643.77 C ATOM 38907 N9 A 03876 155.983 -32.244 58.224 1.00643.77 N ATOM 38908 C8 A 03876 155.754 -31.134 57.466 1.00643.77 C ATOM 38909 N7 A 03876 156.792 -30.341 57.360 1.00643.77 N ATOM 38910 C5 A 03876 157.764 -30.968 58.115 1.00643.77 C ATOM 38911 C6 A 03876 159.088 -30.631 58.404 1.00643.77 C ATOM 38912 N6 A 03876 159.697 -29.536 57.944 1.00643.77 N ATOM 38913 N1 A 03876 159.789 -31.465 59.206 1.00643.77 N ATOM 38914 C2 A 03876 159.181 -32.554 59.675 1.00643.77 C ATOM 38915 N3 A 03876 157.936 -32.982 59.468 1.00643.77 N ATOM 38916 C4 A 03876 157.274 -32.131 58.672 1.00643.77 C ATOM 38917 P A 03877 152.055 -32.054 61.963 1.00643.77 P ATOM 38918 O1P A 03877 150.996 -32.768 62.727 1.00643.77 O ATOM 38919 O2P A 03877 151.840 -30.659 61.534 1.00643.77 O ATOM 38920 O5* A 03877 153.453 -32.116 62.731 1.00643.77 O ATOM 38921 C5* A 03877 153.813 -33.295 63.435 1.00643.77 C ATOM 38922 C4* A 03877 155.073 -33.092 64.226 1.00643.77 C ATOM 38923 O4* A 03877 156.225 -33.128 63.365 1.00643.77 O ATOM 38924 C3* A 03877 155.171 -31.794 64.971 1.00643.77 C ATOM 38925 O3* A 03877 154.575 -31.973 66.230 1.00643.77 O ATOM 38926 C2* A 03877 156.670 -31.597 65.051 1.00643.77 C ATOM 38927 O2* A 03877 157.282 -32.426 66.012 1.00643.77 O ATOM 38928 C1* A 03877 157.062 -32.034 63.644 1.00643.77 C ATOM 38929 N9 A 03877 156.666 -31.009 62.699 1.00643.77 N ATOM 38930 C8 A 03877 155.401 -30.823 62.226 1.00643.77 C ATOM 38931 N7 A 03877 155.288 -29.818 61.397 1.00643.77 N ATOM 38932 C5 A 03877 156.574 -29.315 61.314 1.00643.77 C ATOM 38933 C6 A 03877 157.109 -28.240 60.604 1.00643.77 C ATOM 38934 N6 A 03877 156.368 -27.462 59.789 1.00643.77 N ATOM 38935 N1 A 03877 158.436 -27.994 60.750 1.00643.77 N ATOM 38936 C2 A 03877 159.155 -28.802 61.562 1.00643.77 C ATOM 38937 N3 A 03877 158.758 -29.847 62.275 1.00643.77 N ATOM 38938 C4 A 03877 157.441 -30.048 62.106 1.00643.77 C ATOM 38939 P G 01861 152.028 -31.697 65.104 1.00737.35 P ATOM 38940 O1P G 01861 150.988 -31.899 66.143 1.00737.35 O ATOM 38941 O2P G 01861 151.677 -30.998 63.841 1.00737.35 O ATOM 38942 O5* G 01861 153.257 -30.925 65.767 1.00737.35 O ATOM 38943 C5* G 01861 153.988 -31.496 66.849 1.00737.35 C ATOM 38944 C4* G 01861 155.376 -30.899 66.915 1.00737.35 C ATOM 38945 O4* G 01861 156.025 -31.075 65.626 1.00737.35 O ATOM 38946 C3* G 01861 155.443 -29.400 67.168 1.00737.35 C ATOM 38947 O3* G 01861 155.396 -29.121 68.566 1.00737.35 O ATOM 38948 C2* G 01861 156.791 -29.031 66.558 1.00737.35 C ATOM 38949 O2* G 01861 157.885 -29.341 67.400 1.00737.35 O ATOM 38950 C1* G 01861 156.820 -29.939 65.328 1.00737.35 C ATOM 38951 N9 G 01861 156.285 -29.299 64.127 1.00737.35 N ATOM 38952 C8 G 01861 155.001 -29.385 63.640 1.00737.35 C ATOM 38953 N7 G 01861 154.820 -28.694 62.546 1.00737.35 N ATOM 38954 C5 G 01861 156.058 -28.117 62.295 1.00737.35 C ATOM 38955 C6 G 01861 156.473 -27.259 61.245 1.00737.35 C ATOM 38956 O6 G 01861 155.809 -26.822 60.296 1.00737.35 O ATOM 38957 N1 G 01861 157.811 -26.909 61.372 1.00737.35 N ATOM 38958 C2 G 01861 158.649 -27.328 62.376 1.00737.35 C ATOM 38959 N2 G 01861 159.910 -26.881 62.324 1.00737.35 N ATOM 38960 N3 G 01861 158.274 -28.128 63.364 1.00737.35 N ATOM 38961 C4 G 01861 156.974 -28.481 63.259 1.00737.35 C ATOM 38962 P C 01862 154.914 -27.676 69.080 1.00737.35 P ATOM 38963 O1P C 01862 154.808 -27.725 70.560 1.00737.35 O ATOM 38964 O2P C 01862 153.728 -27.281 68.276 1.00737.35 O ATOM 38965 O5* C 01862 156.117 -26.703 68.697 1.00737.35 O ATOM 38966 C5* C 01862 157.438 -26.945 69.177 1.00737.35 C ATOM 38967 C4* C 01862 158.409 -25.968 68.557 1.00737.35 C ATOM 38968 O4* C 01862 158.369 -26.106 67.110 1.00737.35 O ATOM 38969 C3* C 01862 158.116 -24.496 68.802 1.00737.35 C ATOM 38970 O3* C 01862 158.659 -24.071 70.052 1.00737.35 O ATOM 38971 C2* C 01862 158.810 -23.827 67.624 1.00737.35 C ATOM 38972 O2* C 01862 160.202 -23.668 67.810 1.00737.35 O ATOM 38973 C1* C 01862 158.551 -24.837 66.503 1.00737.35 C ATOM 38974 N1 C 01862 157.358 -24.525 65.687 1.00737.35 N ATOM 38975 C2 C 01862 157.494 -23.667 64.581 1.00737.35 C ATOM 38976 O2 C 01862 158.611 -23.187 64.318 1.00737.35 O ATOM 38977 N3 C 01862 156.407 -23.377 63.832 1.00737.35 N ATOM 38978 C4 C 01862 155.220 -23.906 64.143 1.00737.35 C ATOM 38979 N4 C 01862 154.175 -23.594 63.374 1.00737.35 N ATOM 38980 C5 C 01862 155.053 -24.780 65.258 1.00737.35 C ATOM 38981 C6 C 01862 156.135 -25.061 65.993 1.00737.35 C ATOM 38982 P U 01863 158.045 -22.784 70.795 1.00737.35 P ATOM 38983 O1P U 01863 158.789 -22.586 72.063 1.00737.35 O ATOM 38984 O2P U 01863 156.568 -22.949 70.828 1.00737.35 O ATOM 38985 O5* U 01863 158.395 -21.577 69.815 1.00737.35 O ATOM 38986 C5* U 01863 157.768 -20.304 69.960 1.00737.35 C ATOM 38987 C4* U 01863 158.067 -19.438 68.762 1.00737.35 C ATOM 38988 O4* U 01863 157.688 -20.149 67.554 1.00737.35 O ATOM 38989 C3* U 01863 157.299 -18.128 68.689 1.00737.35 C ATOM 38990 O3* U 01863 157.945 -17.105 69.443 1.00737.35 O ATOM 38991 C2* U 01863 157.310 -17.830 67.194 1.00737.35 C ATOM 38992 O2* U 01863 158.520 -17.252 66.752 1.00737.35 O ATOM 38993 C1* U 01863 157.158 -19.235 66.605 1.00737.35 C ATOM 38994 N1 U 01863 155.762 -19.607 66.322 1.00737.35 N ATOM 38995 C2 U 01863 155.242 -19.277 65.077 1.00737.35 C ATOM 38996 O2 U 01863 155.888 -18.701 64.218 1.00737.35 O ATOM 38997 N3 U 01863 153.936 -19.648 64.880 1.00737.35 N ATOM 38998 C4 U 01863 153.110 -20.300 65.772 1.00737.35 C ATOM 38999 O4 U 01863 151.950 -20.563 65.446 1.00737.35 O ATOM 39000 C5 U 01863 153.715 -20.605 67.033 1.00737.35 C ATOM 39001 C6 U 01863 154.986 -20.259 67.258 1.00737.35 C ATOM 39002 P G 01864 157.101 -15.831 69.946 1.00737.35 P ATOM 39003 O1P G 01864 158.021 -14.925 70.678 1.00737.35 O ATOM 39004 O2P G 01864 155.880 -16.343 70.625 1.00737.35 O ATOM 39005 O5* G 01864 156.662 -15.107 68.594 1.00737.35 O ATOM 39006 C5* G 01864 155.527 -14.243 68.554 1.00737.35 C ATOM 39007 C4* G 01864 155.358 -13.673 67.164 1.00737.35 C ATOM 39008 O4* G 01864 155.320 -14.761 66.203 1.00737.35 O ATOM 39009 C3* G 01864 154.070 -12.904 66.919 1.00737.35 C ATOM 39010 O3* G 01864 154.194 -11.547 67.338 1.00737.35 O ATOM 39011 C2* G 01864 153.905 -13.021 65.409 1.00737.35 C ATOM 39012 O2* G 01864 154.695 -12.095 64.690 1.00737.35 O ATOM 39013 C1* G 01864 154.418 -14.442 65.155 1.00737.35 C ATOM 39014 N9 G 01864 153.362 -15.452 65.128 1.00737.35 N ATOM 39015 C8 G 01864 153.036 -16.343 66.125 1.00737.35 C ATOM 39016 N7 G 01864 152.044 -17.129 65.804 1.00737.35 N ATOM 39017 C5 G 01864 151.694 -16.735 64.520 1.00737.35 C ATOM 39018 C6 G 01864 150.682 -17.228 63.654 1.00737.35 C ATOM 39019 O6 G 01864 149.870 -18.141 63.851 1.00737.35 O ATOM 39020 N1 G 01864 150.672 -16.541 62.443 1.00737.35 N ATOM 39021 C2 G 01864 151.520 -15.515 62.109 1.00737.35 C ATOM 39022 N2 G 01864 151.349 -14.977 60.890 1.00737.35 N ATOM 39023 N3 G 01864 152.465 -15.049 62.905 1.00737.35 N ATOM 39024 C4 G 01864 152.496 -15.702 64.089 1.00737.35 C ATOM 39025 P C 01865 152.879 -10.707 67.730 1.00737.35 P ATOM 39026 O1P C 01865 153.315 -9.378 68.232 1.00737.35 O ATOM 39027 O2P C 01865 152.031 -11.572 68.591 1.00737.35 O ATOM 39028 O5* C 01865 152.122 -10.495 66.344 1.00737.35 O ATOM 39029 C5* C 01865 152.707 -9.717 65.299 1.00737.35 C ATOM 39030 C4* C 01865 151.875 -9.811 64.040 1.00737.35 C ATOM 39031 O4* C 01865 151.816 -11.193 63.609 1.00737.35 O ATOM 39032 C3* C 01865 150.418 -9.393 64.169 1.00737.35 C ATOM 39033 O3* C 01865 150.280 -7.982 64.013 1.00737.35 O ATOM 39034 C2* C 01865 149.762 -10.146 63.017 1.00737.35 C ATOM 39035 O2* C 01865 149.910 -9.495 61.772 1.00737.35 O ATOM 39036 C1* C 01865 150.557 -11.455 63.013 1.00737.35 C ATOM 39037 N1 C 01865 149.900 -12.562 63.739 1.00737.35 N ATOM 39038 C2 C 01865 148.932 -13.332 63.072 1.00737.35 C ATOM 39039 O2 C 01865 148.645 -13.058 61.893 1.00737.35 O ATOM 39040 N3 C 01865 148.334 -14.350 63.728 1.00737.35 N ATOM 39041 C4 C 01865 148.658 -14.616 64.994 1.00737.35 C ATOM 39042 N4 C 01865 148.040 -15.634 65.600 1.00737.35 N ATOM 39043 C5 C 01865 149.634 -13.849 65.698 1.00737.35 C ATOM 39044 C6 C 01865 150.223 -12.842 65.040 1.00737.35 C ATOM 39045 P G 01866 149.150 -7.187 64.840 1.00737.35 P ATOM 39046 O1P G 01866 149.204 -5.759 64.434 1.00737.35 O ATOM 39047 O2P G 01866 149.308 -7.548 66.272 1.00737.35 O ATOM 39048 O5* G 01866 147.774 -7.804 64.324 1.00737.35 O ATOM 39049 C5* G 01866 147.405 -7.738 62.947 1.00737.35 C ATOM 39050 C4* G 01866 146.271 -8.698 62.663 1.00737.35 C ATOM 39051 O4* G 01866 146.698 -10.042 63.015 1.00737.35 O ATOM 39052 C3* G 01866 145.000 -8.473 63.467 1.00737.35 C ATOM 39053 O3* G 01866 144.155 -7.521 62.820 1.00737.35 O ATOM 39054 C2* G 01866 144.380 -9.866 63.497 1.00737.35 C ATOM 39055 O2* G 01866 143.680 -10.186 62.313 1.00737.35 O ATOM 39056 C1* G 01866 145.625 -10.747 63.618 1.00737.35 C ATOM 39057 N9 G 01866 146.000 -11.051 64.997 1.00737.35 N ATOM 39058 C8 G 01866 146.659 -10.223 65.879 1.00737.35 C ATOM 39059 N7 G 01866 146.861 -10.773 67.046 1.00737.35 N ATOM 39060 C5 G 01866 146.300 -12.038 66.931 1.00737.35 C ATOM 39061 C6 G 01866 146.214 -13.094 67.874 1.00737.35 C ATOM 39062 O6 G 01866 146.631 -13.122 69.039 1.00737.35 O ATOM 39063 N1 G 01866 145.565 -14.201 67.345 1.00737.35 N ATOM 39064 C2 G 01866 145.061 -14.289 66.072 1.00737.35 C ATOM 39065 N2 G 01866 144.465 -15.446 65.749 1.00737.35 N ATOM 39066 N3 G 01866 145.135 -13.313 65.179 1.00737.35 N ATOM 39067 C4 G 01866 145.763 -12.225 65.674 1.00737.35 C ATOM 39068 P A 01867 142.962 -6.819 63.641 1.00737.35 P ATOM 39069 O1P A 01867 142.371 -5.764 62.778 1.00737.35 O ATOM 39070 O2P A 01867 143.483 -6.461 64.985 1.00737.35 O ATOM 39071 O5* A 01867 141.883 -7.980 63.812 1.00737.35 O ATOM 39072 C5* A 01867 140.800 -7.848 64.732 1.00737.35 C ATOM 39073 C4* A 01867 140.280 -9.213 65.118 1.00737.35 C ATOM 39074 O4* A 01867 141.388 -10.032 65.570 1.00737.35 O ATOM 39075 C3* A 01867 139.289 -9.234 66.272 1.00737.35 C ATOM 39076 O3* A 01867 137.956 -9.016 65.815 1.00737.35 O ATOM 39077 C2* A 01867 139.465 -10.642 66.829 1.00737.35 C ATOM 39078 O2* A 01867 138.747 -11.621 66.104 1.00737.35 O ATOM 39079 C1* A 01867 140.969 -10.858 66.641 1.00737.35 C ATOM 39080 N9 A 01867 141.772 -10.520 67.818 1.00737.35 N ATOM 39081 C8 A 01867 142.027 -9.274 68.341 1.00737.35 C ATOM 39082 N7 A 01867 142.794 -9.292 69.402 1.00737.35 N ATOM 39083 C5 A 01867 143.062 -10.640 69.596 1.00737.35 C ATOM 39084 C6 A 01867 143.826 -11.323 70.560 1.00737.35 C ATOM 39085 N6 A 01867 144.484 -10.716 71.548 1.00737.35 N ATOM 39086 N1 A 01867 143.889 -12.669 70.471 1.00737.35 N ATOM 39087 C2 A 01867 143.229 -13.278 69.477 1.00737.35 C ATOM 39088 N3 A 01867 142.481 -12.748 68.513 1.00737.35 N ATOM 39089 C4 A 01867 142.437 -11.407 68.630 1.00737.35 C ATOM 39090 P A 01868 136.895 -8.265 66.764 1.00737.35 P ATOM 39091 O1P A 01868 136.621 -6.925 66.176 1.00737.35 O ATOM 39092 O2P A 01868 137.372 -8.364 68.167 1.00737.35 O ATOM 39093 O5* A 01868 135.574 -9.148 66.639 1.00737.35 O ATOM 39094 C5* A 01868 134.760 -9.107 65.468 1.00737.35 C ATOM 39095 C4* A 01868 133.809 -10.281 65.444 1.00737.35 C ATOM 39096 O4* A 01868 134.574 -11.512 65.349 1.00737.35 O ATOM 39097 C3* A 01868 132.953 -10.463 66.689 1.00737.35 C ATOM 39098 O3* A 01868 131.775 -9.665 66.629 1.00737.35 O ATOM 39099 C2* A 01868 132.627 -11.950 66.642 1.00737.35 C ATOM 39100 O2* A 01868 131.567 -12.260 65.760 1.00737.35 O ATOM 39101 C1* A 01868 133.936 -12.530 66.103 1.00737.35 C ATOM 39102 N9 A 01868 134.852 -12.971 67.157 1.00737.35 N ATOM 39103 C8 A 01868 135.888 -12.269 67.727 1.00737.35 C ATOM 39104 N7 A 01868 136.530 -12.937 68.657 1.00737.35 N ATOM 39105 C5 A 01868 135.876 -14.160 68.701 1.00737.35 C ATOM 39106 C6 A 01868 136.078 -15.312 69.484 1.00737.35 C ATOM 39107 N6 A 01868 137.035 -15.421 70.408 1.00737.35 N ATOM 39108 N1 A 01868 135.249 -16.360 69.281 1.00737.35 N ATOM 39109 C2 A 01868 134.291 -16.249 68.356 1.00737.35 C ATOM 39110 N3 A 01868 134.001 -15.221 67.557 1.00737.35 N ATOM 39111 C4 A 01868 134.841 -14.196 67.783 1.00737.35 C ATOM 39112 P A 01869 131.248 -8.923 67.955 1.00737.35 P ATOM 39113 O1P A 01869 129.909 -8.347 67.661 1.00737.35 O ATOM 39114 O2P A 01869 132.338 -8.035 68.433 1.00737.35 O ATOM 39115 O5* A 01869 131.071 -10.099 69.017 1.00737.35 O ATOM 39116 C5* A 01869 129.961 -10.994 68.951 1.00737.35 C ATOM 39117 C4* A 01869 130.035 -12.003 70.074 1.00737.35 C ATOM 39118 O4* A 01869 131.207 -12.840 69.896 1.00737.35 O ATOM 39119 C3* A 01869 130.191 -11.420 71.473 1.00737.35 C ATOM 39120 O3* A 01869 128.925 -11.071 72.026 1.00737.35 O ATOM 39121 C2* A 01869 130.847 -12.567 72.230 1.00737.35 C ATOM 39122 O2* A 01869 129.928 -13.556 72.652 1.00737.35 O ATOM 39123 C1* A 01869 131.777 -13.143 71.161 1.00737.35 C ATOM 39124 N9 A 01869 133.132 -12.589 71.203 1.00737.35 N ATOM 39125 C8 A 01869 133.658 -11.588 70.422 1.00737.35 C ATOM 39126 N7 A 01869 134.906 -11.305 70.694 1.00737.35 N ATOM 39127 C5 A 01869 135.228 -12.174 71.725 1.00737.35 C ATOM 39128 C6 A 01869 136.410 -12.370 72.461 1.00737.35 C ATOM 39129 N6 A 01869 137.531 -11.675 72.255 1.00737.35 N ATOM 39130 N1 A 01869 136.402 -13.319 73.423 1.00737.35 N ATOM 39131 C2 A 01869 135.275 -14.015 73.624 1.00737.35 C ATOM 39132 N3 A 01869 134.104 -13.923 72.998 1.00737.35 N ATOM 39133 C4 A 01869 134.146 -12.972 72.049 1.00737.35 C ATOM 39134 P U 01870 128.798 -9.774 72.968 1.00737.35 P ATOM 39135 O1P U 01870 127.386 -9.698 73.428 1.00737.35 O ATOM 39136 O2P U 01870 129.400 -8.618 72.258 1.00737.35 O ATOM 39137 O5* U 01870 129.715 -10.117 74.226 1.00737.35 O ATOM 39138 C5* U 01870 129.316 -11.097 75.184 1.00737.35 C ATOM 39139 C4* U 01870 130.406 -11.305 76.210 1.00737.35 C ATOM 39140 O4* U 01870 131.584 -11.845 75.556 1.00737.35 O ATOM 39141 C3* U 01870 130.906 -10.047 76.907 1.00737.35 C ATOM 39142 O3* U 01870 130.075 -9.712 78.015 1.00737.35 O ATOM 39143 C2* U 01870 132.305 -10.460 77.351 1.00737.35 C ATOM 39144 O2* U 01870 132.310 -11.226 78.539 1.00737.35 O ATOM 39145 C1* U 01870 132.754 -11.327 76.171 1.00737.35 C ATOM 39146 N1 U 01870 133.532 -10.591 75.160 1.00737.35 N ATOM 39147 C2 U 01870 134.908 -10.520 75.325 1.00737.35 C ATOM 39148 O2 U 01870 135.496 -11.038 76.261 1.00737.35 O ATOM 39149 N3 U 01870 135.572 -9.816 74.350 1.00737.35 N ATOM 39150 C4 U 01870 135.018 -9.190 73.251 1.00737.35 C ATOM 39151 O4 U 01870 135.753 -8.594 72.461 1.00737.35 O ATOM 39152 C5 U 01870 133.597 -9.307 73.149 1.00737.35 C ATOM 39153 C6 U 01870 132.919 -9.986 74.081 1.00737.35 C ATOM 39154 P G 01871 129.801 -8.167 78.365 1.00737.35 P ATOM 39155 O1P G 01871 128.890 -8.136 79.540 1.00737.35 O ATOM 39156 O2P G 01871 129.407 -7.465 77.116 1.00737.35 O ATOM 39157 O5* G 01871 131.223 -7.613 78.820 1.00737.35 O ATOM 39158 C5* G 01871 131.795 -7.988 80.072 1.00737.35 C ATOM 39159 C4* G 01871 133.116 -7.285 80.282 1.00737.35 C ATOM 39160 O4* G 01871 134.062 -7.727 79.273 1.00737.35 O ATOM 39161 C3* G 01871 133.089 -5.771 80.134 1.00737.35 C ATOM 39162 O3* G 01871 132.696 -5.141 81.351 1.00737.35 O ATOM 39163 C2* G 01871 134.538 -5.453 79.789 1.00737.35 C ATOM 39164 O2* G 01871 135.382 -5.401 80.923 1.00737.35 O ATOM 39165 C1* G 01871 134.916 -6.652 78.917 1.00737.35 C ATOM 39166 N9 G 01871 134.828 -6.456 77.467 1.00737.35 N ATOM 39167 C8 G 01871 135.387 -7.265 76.509 1.00737.35 C ATOM 39168 N7 G 01871 135.162 -6.853 75.292 1.00737.35 N ATOM 39169 C5 G 01871 134.405 -5.701 75.450 1.00737.35 C ATOM 39170 C6 G 01871 133.861 -4.817 74.480 1.00737.35 C ATOM 39171 O6 G 01871 133.946 -4.878 73.249 1.00737.35 O ATOM 39172 N1 G 01871 133.160 -3.774 75.075 1.00737.35 N ATOM 39173 C2 G 01871 132.999 -3.601 76.428 1.00737.35 C ATOM 39174 N2 G 01871 132.286 -2.530 76.805 1.00737.35 N ATOM 39175 N3 G 01871 133.500 -4.415 77.341 1.00737.35 N ATOM 39176 C4 G 01871 134.187 -5.437 76.787 1.00737.35 C ATOM 39177 P A 01872 131.745 -3.843 81.306 1.00737.35 P ATOM 39178 O1P A 01872 130.339 -4.324 81.341 1.00737.35 O ATOM 39179 O2P A 01872 132.193 -2.962 80.197 1.00737.35 O ATOM 39180 O5* A 01872 132.050 -3.098 82.681 1.00737.35 O ATOM 39181 C5* A 01872 131.845 -3.749 83.933 1.00737.35 C ATOM 39182 C4* A 01872 132.773 -3.173 84.980 1.00737.35 C ATOM 39183 O4* A 01872 134.147 -3.416 84.582 1.00737.35 O ATOM 39184 C3* A 01872 132.699 -1.667 85.174 1.00737.35 C ATOM 39185 O3* A 01872 131.651 -1.317 86.076 1.00737.35 O ATOM 39186 C2* A 01872 134.072 -1.346 85.745 1.00737.35 C ATOM 39187 O2* A 01872 134.173 -1.612 87.131 1.00737.35 O ATOM 39188 C1* A 01872 134.960 -2.317 84.966 1.00737.35 C ATOM 39189 N9 A 01872 135.542 -1.728 83.756 1.00737.35 N ATOM 39190 C8 A 01872 134.991 -1.652 82.499 1.00737.35 C ATOM 39191 N7 A 01872 135.760 -1.060 81.618 1.00737.35 N ATOM 39192 C5 A 01872 136.894 -0.721 82.342 1.00737.35 C ATOM 39193 C6 A 01872 138.086 -0.066 81.982 1.00737.35 C ATOM 39194 N6 A 01872 138.343 0.378 80.749 1.00737.35 N ATOM 39195 N1 A 01872 139.019 0.115 82.941 1.00737.35 N ATOM 39196 C2 A 01872 138.761 -0.332 84.178 1.00737.35 C ATOM 39197 N3 A 01872 137.682 -0.960 84.638 1.00737.35 N ATOM 39198 C4 A 01872 136.773 -1.126 83.660 1.00737.35 C ATOM 39199 P A 01873 130.960 0.133 85.975 1.00737.35 P ATOM 39200 O1P A 01873 129.902 0.190 87.016 1.00737.35 O ATOM 39201 O2P A 01873 130.607 0.388 84.554 1.00737.35 O ATOM 39202 O5* A 01873 132.124 1.141 86.386 1.00737.35 O ATOM 39203 C5* A 01873 132.652 1.149 87.711 1.00737.35 C ATOM 39204 C4* A 01873 133.876 2.035 87.784 1.00737.35 C ATOM 39205 O4* A 01873 134.913 1.494 86.923 1.00737.35 O ATOM 39206 C3* A 01873 133.692 3.463 87.294 1.00737.35 C ATOM 39207 O3* A 01873 133.159 4.298 88.320 1.00737.35 O ATOM 39208 C2* A 01873 135.115 3.864 86.924 1.00737.35 C ATOM 39209 O2* A 01873 135.893 4.251 88.039 1.00737.35 O ATOM 39210 C1* A 01873 135.656 2.555 86.343 1.00737.35 C ATOM 39211 N9 A 01873 135.527 2.473 84.886 1.00737.35 N ATOM 39212 C8 A 01873 134.506 1.915 84.154 1.00737.35 C ATOM 39213 N7 A 01873 134.678 2.000 82.857 1.00737.35 N ATOM 39214 C5 A 01873 135.894 2.655 82.723 1.00737.35 C ATOM 39215 C6 A 01873 136.637 3.049 81.596 1.00737.35 C ATOM 39216 N6 A 01873 136.247 2.830 80.338 1.00737.35 N ATOM 39217 N1 A 01873 137.810 3.684 81.809 1.00737.35 N ATOM 39218 C2 A 01873 138.201 3.902 83.070 1.00737.35 C ATOM 39219 N3 A 01873 137.591 3.580 84.209 1.00737.35 N ATOM 39220 C4 A 01873 136.429 2.951 83.963 1.00737.35 C ATOM 39221 P G 01874 132.241 5.555 87.924 1.00737.35 P ATOM 39222 O1P G 01874 131.992 6.355 89.151 1.00737.35 O ATOM 39223 O2P G 01874 131.088 5.037 87.141 1.00737.35 O ATOM 39224 O5* G 01874 133.167 6.412 86.950 1.00737.35 O ATOM 39225 C5* G 01874 132.603 7.327 86.013 1.00737.35 C ATOM 39226 C4* G 01874 133.680 7.872 85.105 1.00737.35 C ATOM 39227 O4* G 01874 134.383 6.766 84.477 1.00737.35 O ATOM 39228 C3* G 01874 133.181 8.712 83.939 1.00737.35 C ATOM 39229 O3* G 01874 132.980 10.066 84.332 1.00737.35 O ATOM 39230 C2* G 01874 134.317 8.575 82.933 1.00737.35 C ATOM 39231 O2* G 01874 135.407 9.436 83.203 1.00737.35 O ATOM 39232 C1* G 01874 134.740 7.119 83.150 1.00737.35 C ATOM 39233 N9 G 01874 134.094 6.186 82.230 1.00737.35 N ATOM 39234 C8 G 01874 132.972 5.425 82.466 1.00737.35 C ATOM 39235 N7 G 01874 132.630 4.684 81.451 1.00737.35 N ATOM 39236 C5 G 01874 133.585 4.967 80.482 1.00737.35 C ATOM 39237 C6 G 01874 133.732 4.465 79.162 1.00737.35 C ATOM 39238 O6 G 01874 133.026 3.640 78.568 1.00737.35 O ATOM 39239 N1 G 01874 134.836 5.019 78.524 1.00737.35 N ATOM 39240 C2 G 01874 135.689 5.939 79.080 1.00737.35 C ATOM 39241 N2 G 01874 136.699 6.356 78.302 1.00737.35 N ATOM 39242 N3 G 01874 135.564 6.418 80.307 1.00737.35 N ATOM 39243 C4 G 01874 134.496 5.890 80.947 1.00737.35 C ATOM 39244 P C 01875 131.737 10.892 83.733 1.00737.35 P ATOM 39245 O1P C 01875 131.864 12.305 84.176 1.00737.35 O ATOM 39246 O2P C 01875 130.499 10.133 84.053 1.00737.35 O ATOM 39247 O5* C 01875 131.957 10.833 82.156 1.00737.35 O ATOM 39248 C5* C 01875 133.040 11.527 81.540 1.00737.35 C ATOM 39249 C4* C 01875 133.096 11.209 80.063 1.00737.35 C ATOM 39250 O4* C 01875 133.397 9.800 79.883 1.00737.35 O ATOM 39251 C3* C 01875 131.801 11.415 79.294 1.00737.35 C ATOM 39252 O3* C 01875 131.648 12.776 78.899 1.00737.35 O ATOM 39253 C2* C 01875 131.982 10.488 78.100 1.00737.35 C ATOM 39254 O2* C 01875 132.786 11.044 77.077 1.00737.35 O ATOM 39255 C1* C 01875 132.708 9.304 78.744 1.00737.35 C ATOM 39256 N1 C 01875 131.800 8.219 79.174 1.00737.35 N ATOM 39257 C2 C 01875 131.450 7.220 78.248 1.00737.35 C ATOM 39258 O2 C 01875 131.910 7.271 77.096 1.00737.35 O ATOM 39259 N3 C 01875 130.620 6.225 78.637 1.00737.35 N ATOM 39260 C4 C 01875 130.141 6.201 79.882 1.00737.35 C ATOM 39261 N4 C 01875 129.325 5.200 80.219 1.00737.35 N ATOM 39262 C5 C 01875 130.477 7.200 80.840 1.00737.35 C ATOM 39263 C6 C 01875 131.303 8.180 80.447 1.00737.35 C ATOM 39264 P C 01876 130.177 13.416 78.797 1.00737.35 P ATOM 39265 O1P C 01876 130.323 14.850 78.438 1.00737.35 O ATOM 39266 O2P C 01876 129.436 13.041 80.028 1.00737.35 O ATOM 39267 O5* C 01876 129.509 12.651 77.569 1.00737.35 O ATOM 39268 C5* C 01876 129.872 12.964 76.225 1.00737.35 C ATOM 39269 C4* C 01876 128.957 12.256 75.251 1.00737.35 C ATOM 39270 O4* C 01876 129.179 10.825 75.321 1.00737.35 O ATOM 39271 C3* C 01876 127.467 12.412 75.507 1.00737.35 C ATOM 39272 O3* C 01876 126.973 13.634 74.969 1.00737.35 O ATOM 39273 C2* C 01876 126.891 11.200 74.784 1.00737.35 C ATOM 39274 O2* C 01876 126.755 11.397 73.390 1.00737.35 O ATOM 39275 C1* C 01876 127.963 10.142 75.057 1.00737.35 C ATOM 39276 N1 C 01876 127.644 9.264 76.202 1.00737.35 N ATOM 39277 C2 C 01876 126.858 8.118 75.980 1.00737.35 C ATOM 39278 O2 C 01876 126.456 7.874 74.828 1.00737.35 O ATOM 39279 N3 C 01876 126.557 7.313 77.023 1.00737.35 N ATOM 39280 C4 C 01876 127.004 7.606 78.245 1.00737.35 C ATOM 39281 N4 C 01876 126.676 6.782 79.242 1.00737.35 N ATOM 39282 C5 C 01876 127.805 8.756 78.500 1.00737.35 C ATOM 39283 C6 C 01876 128.099 9.549 77.460 1.00737.35 C ATOM 39284 P C 01877 125.917 14.504 75.812 1.00737.35 P ATOM 39285 O1P C 01877 125.420 15.603 74.942 1.00737.35 O ATOM 39286 O2P C 01877 126.548 14.831 77.116 1.00737.35 O ATOM 39287 O5* C 01877 124.712 13.496 76.084 1.00737.35 O ATOM 39288 C5* C 01877 123.920 12.994 75.011 1.00737.35 C ATOM 39289 C4* C 01877 122.778 12.158 75.543 1.00737.35 C ATOM 39290 O4* C 01877 123.307 10.973 76.198 1.00737.35 O ATOM 39291 C3* C 01877 121.912 12.814 76.605 1.00737.35 C ATOM 39292 O3* C 01877 120.921 13.647 76.011 1.00737.35 O ATOM 39293 C2* C 01877 121.298 11.609 77.311 1.00737.35 C ATOM 39294 O2* C 01877 120.186 11.070 76.624 1.00737.35 O ATOM 39295 C1* C 01877 122.459 10.610 77.277 1.00737.35 C ATOM 39296 N1 C 01877 123.255 10.578 78.523 1.00737.35 N ATOM 39297 C2 C 01877 122.840 9.738 79.573 1.00737.35 C ATOM 39298 O2 C 01877 121.816 9.048 79.431 1.00737.35 O ATOM 39299 N3 C 01877 123.565 9.702 80.715 1.00737.35 N ATOM 39300 C4 C 01877 124.658 10.459 80.837 1.00737.35 C ATOM 39301 N4 C 01877 125.338 10.389 81.983 1.00737.35 N ATOM 39302 C5 C 01877 125.101 11.321 79.791 1.00737.35 C ATOM 39303 C6 C 01877 124.377 11.349 78.664 1.00737.35 C ATOM 39304 P C 01878 120.393 14.946 76.797 1.00737.35 P ATOM 39305 O1P C 01878 119.556 15.742 75.862 1.00737.35 O ATOM 39306 O2P C 01878 121.560 15.585 77.458 1.00737.35 O ATOM 39307 O5* C 01878 119.447 14.348 77.933 1.00737.35 O ATOM 39308 C5* C 01878 118.169 13.801 77.611 1.00737.35 C ATOM 39309 C4* C 01878 117.475 13.309 78.860 1.00737.35 C ATOM 39310 O4* C 01878 118.227 12.200 79.423 1.00737.35 O ATOM 39311 C3* C 01878 117.370 14.309 80.003 1.00737.35 C ATOM 39312 O3* C 01878 116.251 15.170 79.827 1.00737.35 O ATOM 39313 C2* C 01878 117.208 13.397 81.213 1.00737.35 C ATOM 39314 O2* C 01878 115.886 12.926 81.384 1.00737.35 O ATOM 39315 C1* C 01878 118.130 12.231 80.839 1.00737.35 C ATOM 39316 N1 C 01878 119.488 12.344 81.408 1.00737.35 N ATOM 39317 C2 C 01878 119.730 11.843 82.699 1.00737.35 C ATOM 39318 O2 C 01878 118.795 11.314 83.328 1.00737.35 O ATOM 39319 N3 C 01878 120.970 11.947 83.228 1.00737.35 N ATOM 39320 C4 C 01878 121.947 12.522 82.526 1.00737.35 C ATOM 39321 N4 C 01878 123.156 12.602 83.090 1.00737.35 N ATOM 39322 C5 C 01878 121.734 13.037 81.216 1.00737.35 C ATOM 39323 C6 C 01878 120.501 12.929 80.700 1.00737.35 C ATOM 39324 P G 01879 116.248 16.626 80.512 1.00737.35 P ATOM 39325 O1P G 01879 115.062 17.369 80.012 1.00737.35 O ATOM 39326 O2P G 01879 117.603 17.213 80.341 1.00737.35 O ATOM 39327 O5* G 01879 116.034 16.321 82.061 1.00737.35 O ATOM 39328 C5* G 01879 114.803 15.778 82.537 1.00737.35 C ATOM 39329 C4* G 01879 114.901 15.460 84.010 1.00737.35 C ATOM 39330 O4* G 01879 115.904 14.430 84.215 1.00737.35 O ATOM 39331 C3* G 01879 115.344 16.595 84.917 1.00737.35 C ATOM 39332 O3* G 01879 114.247 17.439 85.261 1.00737.35 O ATOM 39333 C2* G 01879 115.887 15.846 86.128 1.00737.35 C ATOM 39334 O2* G 01879 114.875 15.408 87.010 1.00737.35 O ATOM 39335 C1* G 01879 116.550 14.639 85.462 1.00737.35 C ATOM 39336 N9 G 01879 117.981 14.823 85.222 1.00737.35 N ATOM 39337 C8 G 01879 118.598 15.119 84.028 1.00737.35 C ATOM 39338 N7 G 01879 119.894 15.224 84.132 1.00737.35 N ATOM 39339 C5 G 01879 120.152 14.983 85.475 1.00737.35 C ATOM 39340 C6 G 01879 121.382 14.962 86.185 1.00737.35 C ATOM 39341 O6 G 01879 122.525 15.158 85.756 1.00737.35 O ATOM 39342 N1 G 01879 121.188 14.675 87.533 1.00737.35 N ATOM 39343 C2 G 01879 119.970 14.441 88.124 1.00737.35 C ATOM 39344 N2 G 01879 119.992 14.183 89.439 1.00737.35 N ATOM 39345 N3 G 01879 118.819 14.456 87.473 1.00737.35 N ATOM 39346 C4 G 01879 118.982 14.731 86.161 1.00737.35 C ATOM 39347 P G 01880 114.520 18.952 85.738 1.00737.35 P ATOM 39348 O1P G 01880 113.208 19.633 85.891 1.00737.35 O ATOM 39349 O2P G 01880 115.546 19.533 84.836 1.00737.35 O ATOM 39350 O5* G 01880 115.170 18.789 87.184 1.00737.35 O ATOM 39351 C5* G 01880 114.432 18.207 88.257 1.00737.35 C ATOM 39352 C4* G 01880 115.319 18.013 89.465 1.00737.35 C ATOM 39353 O4* G 01880 116.398 17.098 89.134 1.00737.35 O ATOM 39354 C3* G 01880 116.030 19.256 89.980 1.00737.35 C ATOM 39355 O3* G 01880 115.180 20.007 90.842 1.00737.35 O ATOM 39356 C2* G 01880 117.218 18.664 90.729 1.00737.35 C ATOM 39357 O2* G 01880 116.888 18.217 92.030 1.00737.35 O ATOM 39358 C1* G 01880 117.571 17.462 89.846 1.00737.35 C ATOM 39359 N9 G 01880 118.638 17.732 88.886 1.00737.35 N ATOM 39360 C8 G 01880 118.501 18.066 87.557 1.00737.35 C ATOM 39361 N7 G 01880 119.644 18.243 86.954 1.00737.35 N ATOM 39362 C5 G 01880 120.594 18.013 87.939 1.00737.35 C ATOM 39363 C6 G 01880 122.013 18.058 87.878 1.00737.35 C ATOM 39364 O6 G 01880 122.737 18.314 86.907 1.00737.35 O ATOM 39365 N1 G 01880 122.587 17.761 89.110 1.00737.35 N ATOM 39366 C2 G 01880 121.890 17.460 90.254 1.00737.35 C ATOM 39367 N2 G 01880 122.627 17.204 91.345 1.00737.35 N ATOM 39368 N3 G 01880 120.570 17.414 90.325 1.00737.35 N ATOM 39369 C4 G 01880 119.991 17.699 89.138 1.00737.35 C ATOM 39370 P U 01881 115.473 21.568 91.094 1.00737.35 P ATOM 39371 O1P U 01881 114.299 22.125 91.814 1.00737.35 O ATOM 39372 O2P U 01881 115.899 22.182 89.809 1.00737.35 O ATOM 39373 O5* U 01881 116.718 21.572 92.087 1.00737.35 O ATOM 39374 C5* U 01881 116.580 21.133 93.439 1.00737.35 C ATOM 39375 C4* U 01881 117.909 21.203 94.155 1.00737.35 C ATOM 39376 O4* U 01881 118.841 20.281 93.532 1.00737.35 O ATOM 39377 C3* U 01881 118.618 22.548 94.111 1.00737.35 C ATOM 39378 O3* U 01881 118.146 23.398 95.153 1.00737.35 O ATOM 39379 C2* U 01881 120.076 22.156 94.330 1.00737.35 C ATOM 39380 O2* U 01881 120.400 21.963 95.693 1.00737.35 O ATOM 39381 C1* U 01881 120.154 20.818 93.590 1.00737.35 C ATOM 39382 N1 U 01881 120.689 20.914 92.220 1.00737.35 N ATOM 39383 C2 U 01881 122.068 20.952 92.065 1.00737.35 C ATOM 39384 O2 U 01881 122.848 20.909 93.004 1.00737.35 O ATOM 39385 N3 U 01881 122.502 21.038 90.764 1.00737.35 N ATOM 39386 C4 U 01881 121.722 21.093 89.629 1.00737.35 C ATOM 39387 O4 U 01881 122.265 21.173 88.525 1.00737.35 O ATOM 39388 C5 U 01881 120.313 21.050 89.868 1.00737.35 C ATOM 39389 C6 U 01881 119.855 20.968 91.123 1.00737.35 C ATOM 39390 P G 01882 117.779 24.933 94.835 1.00737.35 P ATOM 39391 O1P G 01882 117.453 25.584 96.128 1.00737.35 O ATOM 39392 O2P G 01882 116.786 24.956 93.730 1.00737.35 O ATOM 39393 O5* G 01882 119.141 25.561 94.293 1.00737.35 O ATOM 39394 C5* G 01882 120.348 25.473 95.048 1.00737.35 C ATOM 39395 C4* G 01882 121.402 26.377 94.455 1.00737.35 C ATOM 39396 O4* G 01882 121.610 26.005 93.066 1.00737.35 O ATOM 39397 C3* G 01882 121.048 27.857 94.403 1.00737.35 C ATOM 39398 O3* G 01882 121.388 28.503 95.625 1.00737.35 O ATOM 39399 C2* G 01882 121.909 28.357 93.250 1.00737.35 C ATOM 39400 O2* G 01882 123.251 28.601 93.622 1.00737.35 O ATOM 39401 C1* G 01882 121.849 27.166 92.289 1.00737.35 C ATOM 39402 N9 G 01882 120.788 27.276 91.289 1.00737.35 N ATOM 39403 C8 G 01882 119.437 27.125 91.491 1.00737.35 C ATOM 39404 N7 G 01882 118.733 27.281 90.404 1.00737.35 N ATOM 39405 C5 G 01882 119.677 27.549 89.420 1.00737.35 C ATOM 39406 C6 G 01882 119.513 27.802 88.034 1.00737.35 C ATOM 39407 O6 G 01882 118.466 27.841 87.376 1.00737.35 O ATOM 39408 N1 G 01882 120.733 28.024 87.408 1.00737.35 N ATOM 39409 C2 G 01882 121.956 28.003 88.030 1.00737.35 C ATOM 39410 N2 G 01882 123.020 28.240 87.250 1.00737.35 N ATOM 39411 N3 G 01882 122.125 27.768 89.320 1.00737.35 N ATOM 39412 C4 G 01882 120.951 27.551 89.951 1.00737.35 C ATOM 39413 P A 01883 120.447 29.675 96.201 1.00737.35 P ATOM 39414 O1P A 01883 119.291 29.023 96.867 1.00737.35 O ATOM 39415 O2P A 01883 120.210 30.665 95.120 1.00737.35 O ATOM 39416 O5* A 01883 121.341 30.364 97.326 1.00737.35 O ATOM 39417 C5* A 01883 122.602 30.946 97.004 1.00737.35 C ATOM 39418 C4* A 01883 123.476 31.026 98.233 1.00737.35 C ATOM 39419 O4* A 01883 122.875 31.925 99.201 1.00737.35 O ATOM 39420 C3* A 01883 123.666 29.725 98.999 1.00737.35 C ATOM 39421 O3* A 01883 124.711 28.948 98.424 1.00737.35 O ATOM 39422 C2* A 01883 124.040 30.222 100.392 1.00737.35 C ATOM 39423 O2* A 01883 125.403 30.579 100.508 1.00737.35 O ATOM 39424 C1* A 01883 123.166 31.474 100.514 1.00737.35 C ATOM 39425 N9 A 01883 121.903 31.239 101.218 1.00737.35 N ATOM 39426 C8 A 01883 120.688 30.882 100.688 1.00737.35 C ATOM 39427 N7 A 01883 119.738 30.747 101.582 1.00737.35 N ATOM 39428 C5 A 01883 120.370 31.036 102.783 1.00737.35 C ATOM 39429 C6 A 01883 119.907 31.069 104.109 1.00737.35 C ATOM 39430 N6 A 01883 118.648 30.800 104.464 1.00737.35 N ATOM 39431 N1 A 01883 120.794 31.395 105.075 1.00737.35 N ATOM 39432 C2 A 01883 122.056 31.666 104.723 1.00737.35 C ATOM 39433 N3 A 01883 122.609 31.668 103.513 1.00737.35 N ATOM 39434 C4 A 01883 121.702 31.341 102.574 1.00737.35 C ATOM 39435 P A 01884 124.492 27.372 98.181 1.00737.35 P ATOM 39436 O1P A 01884 123.358 27.218 97.234 1.00737.35 O ATOM 39437 O2P A 01884 124.442 26.700 99.503 1.00737.35 O ATOM 39438 O5* A 01884 125.824 26.911 97.436 1.00737.35 O ATOM 39439 C5* A 01884 126.369 27.682 96.369 1.00737.35 C ATOM 39440 C4* A 01884 127.609 27.020 95.822 1.00737.35 C ATOM 39441 O4* A 01884 127.271 25.701 95.320 1.00737.35 O ATOM 39442 C3* A 01884 128.240 27.726 94.633 1.00737.35 C ATOM 39443 O3* A 01884 129.114 28.765 95.060 1.00737.35 O ATOM 39444 C2* A 01884 128.988 26.593 93.943 1.00737.35 C ATOM 39445 O2* A 01884 130.229 26.295 94.551 1.00737.35 O ATOM 39446 C1* A 01884 128.018 25.425 94.144 1.00737.35 C ATOM 39447 N9 A 01884 127.082 25.245 93.030 1.00737.35 N ATOM 39448 C8 A 01884 125.717 25.407 93.037 1.00737.35 C ATOM 39449 N7 A 01884 125.150 25.173 91.879 1.00737.35 N ATOM 39450 C5 A 01884 126.210 24.835 91.051 1.00737.35 C ATOM 39451 C6 A 01884 126.273 24.476 89.692 1.00737.35 C ATOM 39452 N6 A 01884 125.203 24.396 88.901 1.00737.35 N ATOM 39453 N1 A 01884 127.487 24.200 89.170 1.00737.35 N ATOM 39454 C2 A 01884 128.561 24.281 89.968 1.00737.35 C ATOM 39455 N3 A 01884 128.631 24.604 91.258 1.00737.35 N ATOM 39456 C4 A 01884 127.409 24.874 91.745 1.00737.35 C ATOM 39457 P C 01885 129.196 30.134 94.222 1.00737.35 P ATOM 39458 O1P C 01885 130.094 31.052 94.969 1.00737.35 O ATOM 39459 O2P C 01885 127.814 30.568 93.893 1.00737.35 O ATOM 39460 O5* C 01885 129.920 29.711 92.866 1.00737.35 O ATOM 39461 C5* C 01885 131.336 29.548 92.808 1.00737.35 C ATOM 39462 C4* C 01885 131.801 29.499 91.371 1.00737.35 C ATOM 39463 O4* C 01885 131.305 28.291 90.739 1.00737.35 O ATOM 39464 C3* C 01885 131.297 30.624 90.479 1.00737.35 C ATOM 39465 O3* C 01885 132.109 31.787 90.608 1.00737.35 O ATOM 39466 C2* C 01885 131.401 30.003 89.091 1.00737.35 C ATOM 39467 O2* C 01885 132.709 30.047 88.556 1.00737.35 O ATOM 39468 C1* C 01885 131.003 28.552 89.377 1.00737.35 C ATOM 39469 N1 C 01885 129.570 28.275 89.143 1.00737.35 N ATOM 39470 C2 C 01885 129.141 27.958 87.845 1.00737.35 C ATOM 39471 O2 C 01885 129.973 27.919 86.921 1.00737.35 O ATOM 39472 N3 C 01885 127.829 27.704 87.627 1.00737.35 N ATOM 39473 C4 C 01885 126.961 27.756 88.640 1.00737.35 C ATOM 39474 N4 C 01885 125.679 27.496 88.378 1.00737.35 N ATOM 39475 C5 C 01885 127.369 28.075 89.968 1.00737.35 C ATOM 39476 C6 C 01885 128.668 28.326 90.172 1.00737.35 C ATOM 39477 P G 01886 131.421 33.241 90.607 1.00737.35 P ATOM 39478 O1P G 01886 132.515 34.247 90.606 1.00737.35 O ATOM 39479 O2P G 01886 130.397 33.275 91.683 1.00737.35 O ATOM 39480 O5* G 01886 130.671 33.316 89.204 1.00737.35 O ATOM 39481 C5* G 01886 131.395 33.179 87.982 1.00737.35 C ATOM 39482 C4* G 01886 130.443 33.123 86.808 1.00737.35 C ATOM 39483 O4* G 01886 129.580 31.962 86.940 1.00737.35 O ATOM 39484 C3* G 01886 129.474 34.287 86.678 1.00737.35 C ATOM 39485 O3* G 01886 130.089 35.399 86.038 1.00737.35 O ATOM 39486 C2* G 01886 128.362 33.678 85.832 1.00737.35 C ATOM 39487 O2* G 01886 128.668 33.647 84.449 1.00737.35 O ATOM 39488 C1* G 01886 128.306 32.252 86.382 1.00737.35 C ATOM 39489 N9 G 01886 127.289 32.073 87.414 1.00737.35 N ATOM 39490 C8 G 01886 127.442 32.218 88.775 1.00737.35 C ATOM 39491 N7 G 01886 126.338 32.000 89.441 1.00737.35 N ATOM 39492 C5 G 01886 125.400 31.696 88.464 1.00737.35 C ATOM 39493 C6 G 01886 124.021 31.370 88.581 1.00737.35 C ATOM 39494 O6 G 01886 123.330 31.288 89.604 1.00737.35 O ATOM 39495 N1 G 01886 123.449 31.130 87.336 1.00737.35 N ATOM 39496 C2 G 01886 124.108 31.194 86.135 1.00737.35 C ATOM 39497 N2 G 01886 123.381 30.925 85.043 1.00737.35 N ATOM 39498 N3 G 01886 125.391 31.494 86.013 1.00737.35 N ATOM 39499 C4 G 01886 125.970 31.732 87.210 1.00737.35 C ATOM 39500 P G 01887 129.467 36.872 86.228 1.00737.35 P ATOM 39501 O1P G 01887 130.416 37.831 85.607 1.00737.35 O ATOM 39502 O2P G 01887 129.076 37.044 87.651 1.00737.35 O ATOM 39503 O5* G 01887 128.140 36.842 85.345 1.00737.35 O ATOM 39504 C5* G 01887 128.208 36.720 83.927 1.00737.35 C ATOM 39505 C4* G 01887 126.831 36.498 83.347 1.00737.35 C ATOM 39506 O4* G 01887 126.295 35.237 83.831 1.00737.35 O ATOM 39507 C3* G 01887 125.768 37.515 83.730 1.00737.35 C ATOM 39508 O3* G 01887 125.842 38.682 82.919 1.00737.35 O ATOM 39509 C2* G 01887 124.483 36.734 83.482 1.00737.35 C ATOM 39510 O2* G 01887 124.105 36.698 82.121 1.00737.35 O ATOM 39511 C1* G 01887 124.882 35.332 83.948 1.00737.35 C ATOM 39512 N9 G 01887 124.506 35.065 85.334 1.00737.35 N ATOM 39513 C8 G 01887 125.317 35.094 86.444 1.00737.35 C ATOM 39514 N7 G 01887 124.682 34.817 87.550 1.00737.35 N ATOM 39515 C5 G 01887 123.372 34.591 87.147 1.00737.35 C ATOM 39516 C6 G 01887 122.221 34.251 87.908 1.00737.35 C ATOM 39517 O6 G 01887 122.127 34.078 89.131 1.00737.35 O ATOM 39518 N1 G 01887 121.098 34.114 87.102 1.00737.35 N ATOM 39519 C2 G 01887 121.079 34.283 85.739 1.00737.35 C ATOM 39520 N2 G 01887 119.893 34.108 85.138 1.00737.35 N ATOM 39521 N3 G 01887 122.143 34.600 85.017 1.00737.35 N ATOM 39522 C4 G 01887 123.248 34.737 85.783 1.00737.35 C ATOM 39523 P C 01888 125.325 40.090 83.500 1.00737.35 P ATOM 39524 O1P C 01888 125.437 41.105 82.424 1.00737.35 O ATOM 39525 O2P C 01888 126.010 40.318 84.797 1.00737.35 O ATOM 39526 O5* C 01888 123.778 39.839 83.794 1.00737.35 O ATOM 39527 C5* C 01888 122.867 39.561 82.732 1.00737.35 C ATOM 39528 C4* C 01888 121.451 39.465 83.259 1.00737.35 C ATOM 39529 O4* C 01888 121.337 38.322 84.143 1.00737.35 O ATOM 39530 C3* C 01888 120.972 40.634 84.105 1.00737.35 C ATOM 39531 O3* C 01888 120.486 41.691 83.277 1.00737.35 O ATOM 39532 C2* C 01888 119.832 40.009 84.906 1.00737.35 C ATOM 39533 O2* C 01888 118.609 39.976 84.197 1.00737.35 O ATOM 39534 C1* C 01888 120.339 38.578 85.115 1.00737.35 C ATOM 39535 N1 C 01888 120.886 38.313 86.461 1.00737.35 N ATOM 39536 C2 C 01888 119.993 37.984 87.495 1.00737.35 C ATOM 39537 O2 C 01888 118.775 37.938 87.255 1.00737.35 O ATOM 39538 N3 C 01888 120.482 37.725 88.731 1.00737.35 N ATOM 39539 C4 C 01888 121.795 37.792 88.959 1.00737.35 C ATOM 39540 N4 C 01888 122.225 37.524 90.195 1.00737.35 N ATOM 39541 C5 C 01888 122.723 38.129 87.929 1.00737.35 C ATOM 39542 C6 C 01888 122.229 38.381 86.709 1.00737.35 C ATOM 39543 P G 01889 117.623 47.571 82.170 1.00517.43 P ATOM 39544 O1P G 01889 118.995 47.958 82.598 1.00517.43 O ATOM 39545 O2P G 01889 116.480 48.470 82.478 1.00517.43 O ATOM 39546 O5* G 01889 117.648 47.339 80.593 1.00517.43 O ATOM 39547 C5* G 01889 117.283 46.080 80.030 1.00517.43 C ATOM 39548 C4* G 01889 117.840 45.941 78.636 1.00517.43 C ATOM 39549 O4* G 01889 117.703 44.563 78.200 1.00517.43 O ATOM 39550 C3* G 01889 117.134 46.756 77.562 1.00517.43 C ATOM 39551 O3* G 01889 117.645 48.087 77.504 1.00517.43 O ATOM 39552 C2* G 01889 117.443 45.964 76.299 1.00517.43 C ATOM 39553 O2* G 01889 118.730 46.226 75.778 1.00517.43 O ATOM 39554 C1* G 01889 117.380 44.526 76.821 1.00517.43 C ATOM 39555 N9 G 01889 116.066 43.905 76.674 1.00517.43 N ATOM 39556 C8 G 01889 115.000 44.008 77.536 1.00517.43 C ATOM 39557 N7 G 01889 113.955 43.332 77.142 1.00517.43 N ATOM 39558 C5 G 01889 114.352 42.748 75.947 1.00517.43 C ATOM 39559 C6 G 01889 113.644 41.900 75.058 1.00517.43 C ATOM 39560 O6 G 01889 112.483 41.483 75.153 1.00517.43 O ATOM 39561 N1 G 01889 114.423 41.537 73.965 1.00517.43 N ATOM 39562 C2 G 01889 115.720 41.938 73.754 1.00517.43 C ATOM 39563 N2 G 01889 116.302 41.479 72.635 1.00517.43 N ATOM 39564 N3 G 01889 116.394 42.729 74.574 1.00517.43 N ATOM 39565 C4 G 01889 115.653 43.093 75.643 1.00517.43 C ATOM 39566 P G 01890 116.751 49.259 76.867 1.00517.43 P ATOM 39567 O1P G 01890 117.475 50.542 77.044 1.00517.43 O ATOM 39568 O2P G 01890 115.371 49.117 77.401 1.00517.43 O ATOM 39569 O5* G 01890 116.716 48.911 75.310 1.00517.43 O ATOM 39570 C5* G 01890 117.898 48.996 74.519 1.00517.43 C ATOM 39571 C4* G 01890 117.641 48.447 73.129 1.00517.43 C ATOM 39572 O4* G 01890 117.329 47.031 73.219 1.00517.43 O ATOM 39573 C3* G 01890 116.459 49.044 72.385 1.00517.43 C ATOM 39574 O3* G 01890 116.817 50.261 71.744 1.00517.43 O ATOM 39575 C2* G 01890 116.121 47.946 71.384 1.00517.43 C ATOM 39576 O2* G 01890 116.958 47.953 70.246 1.00517.43 O ATOM 39577 C1* G 01890 116.389 46.686 72.214 1.00517.43 C ATOM 39578 N9 G 01890 115.191 46.153 72.857 1.00517.43 N ATOM 39579 C8 G 01890 114.746 46.410 74.134 1.00517.43 C ATOM 39580 N7 G 01890 113.637 45.787 74.427 1.00517.43 N ATOM 39581 C5 G 01890 113.327 45.076 73.277 1.00517.43 C ATOM 39582 C6 G 01890 112.234 44.216 72.992 1.00517.43 C ATOM 39583 O6 G 01890 111.291 43.900 73.728 1.00517.43 O ATOM 39584 N1 G 01890 112.309 43.706 71.700 1.00517.43 N ATOM 39585 C2 G 01890 113.305 43.982 70.797 1.00517.43 C ATOM 39586 N2 G 01890 113.198 43.387 69.600 1.00517.43 N ATOM 39587 N3 G 01890 114.328 44.780 71.048 1.00517.43 N ATOM 39588 C4 G 01890 114.274 45.290 72.297 1.00517.43 C ATOM 39589 P C 01891 115.679 51.344 71.390 1.00517.43 P ATOM 39590 O1P C 01891 116.349 52.557 70.854 1.00517.43 O ATOM 39591 O2P C 01891 114.783 51.462 72.567 1.00517.43 O ATOM 39592 O5* C 01891 114.855 50.660 70.210 1.00517.43 O ATOM 39593 C5* C 01891 115.455 50.436 68.934 1.00517.43 C ATOM 39594 C4* C 01891 114.485 49.729 68.012 1.00517.43 C ATOM 39595 O4* C 01891 114.197 48.406 68.534 1.00517.43 O ATOM 39596 C3* C 01891 113.119 50.373 67.861 1.00517.43 C ATOM 39597 O3* C 01891 113.149 51.419 66.894 1.00517.43 O ATOM 39598 C2* C 01891 112.257 49.202 67.405 1.00517.43 C ATOM 39599 O2* C 01891 112.375 48.931 66.023 1.00517.43 O ATOM 39600 C1* C 01891 112.863 48.047 68.213 1.00517.43 C ATOM 39601 N1 C 01891 112.129 47.746 69.459 1.00517.43 N ATOM 39602 C2 C 01891 111.040 46.859 69.410 1.00517.43 C ATOM 39603 O2 C 01891 110.720 46.353 68.322 1.00517.43 O ATOM 39604 N3 C 01891 110.362 46.580 70.547 1.00517.43 N ATOM 39605 C4 C 01891 110.732 47.145 71.700 1.00517.43 C ATOM 39606 N4 C 01891 110.034 46.838 72.799 1.00517.43 N ATOM 39607 C5 C 01891 111.831 48.048 71.782 1.00517.43 C ATOM 39608 C6 C 01891 112.495 48.320 70.648 1.00517.43 C ATOM 39609 P C 01892 112.099 52.633 66.994 1.00517.43 P ATOM 39610 O1P C 01892 112.487 53.664 65.994 1.00517.43 O ATOM 39611 O2P C 01892 111.979 53.014 68.428 1.00517.43 O ATOM 39612 O5* C 01892 110.718 51.983 66.540 1.00517.43 O ATOM 39613 C5* C 01892 110.504 51.594 65.185 1.00517.43 C ATOM 39614 C4* C 01892 109.143 50.955 65.028 1.00517.43 C ATOM 39615 O4* C 01892 109.096 49.722 65.794 1.00517.43 O ATOM 39616 C3* C 01892 107.964 51.764 65.550 1.00517.43 C ATOM 39617 O3* C 01892 107.528 52.714 64.582 1.00517.43 O ATOM 39618 C2* C 01892 106.919 50.684 65.801 1.00517.43 C ATOM 39619 O2* C 01892 106.235 50.289 64.630 1.00517.43 O ATOM 39620 C1* C 01892 107.787 49.529 66.308 1.00517.43 C ATOM 39621 N1 C 01892 107.863 49.443 67.780 1.00517.43 N ATOM 39622 C2 C 01892 106.875 48.717 68.468 1.00517.43 C ATOM 39623 O2 C 01892 105.970 48.166 67.824 1.00517.43 O ATOM 39624 N3 C 01892 106.938 48.635 69.818 1.00517.43 N ATOM 39625 C4 C 01892 107.925 49.241 70.479 1.00517.43 C ATOM 39626 N4 C 01892 107.944 49.131 71.812 1.00517.43 N ATOM 39627 C5 C 01892 108.939 49.983 69.809 1.00517.43 C ATOM 39628 C6 C 01892 108.872 50.058 68.472 1.00517.43 C ATOM 39629 P G 01893 106.819 54.078 65.061 1.00517.43 P ATOM 39630 O1P G 01893 106.674 54.960 63.876 1.00517.43 O ATOM 39631 O2P G 01893 107.549 54.568 66.258 1.00517.43 O ATOM 39632 O5* G 01893 105.367 53.609 65.525 1.00517.43 O ATOM 39633 C5* G 01893 104.381 53.222 64.573 1.00517.43 C ATOM 39634 C4* G 01893 103.066 52.938 65.260 1.00517.43 C ATOM 39635 O4* G 01893 103.218 51.787 66.135 1.00517.43 O ATOM 39636 C3* G 01893 102.539 54.039 66.168 1.00517.43 C ATOM 39637 O3* G 01893 101.821 55.012 65.415 1.00517.43 O ATOM 39638 C2* G 01893 101.636 53.268 67.122 1.00517.43 C ATOM 39639 O2* G 01893 100.356 53.004 66.586 1.00517.43 O ATOM 39640 C1* G 01893 102.409 51.957 67.287 1.00517.43 C ATOM 39641 N9 G 01893 103.272 51.919 68.468 1.00517.43 N ATOM 39642 C8 G 01893 104.550 52.413 68.578 1.00517.43 C ATOM 39643 N7 G 01893 105.070 52.225 69.760 1.00517.43 N ATOM 39644 C5 G 01893 104.077 51.569 70.474 1.00517.43 C ATOM 39645 C6 G 01893 104.061 51.104 71.816 1.00517.43 C ATOM 39646 O6 G 01893 104.956 51.182 72.667 1.00517.43 O ATOM 39647 N1 G 01893 102.854 50.496 72.133 1.00517.43 N ATOM 39648 C2 G 01893 101.792 50.351 71.273 1.00517.43 C ATOM 39649 N2 G 01893 100.708 49.737 71.773 1.00517.43 N ATOM 39650 N3 G 01893 101.793 50.780 70.021 1.00517.43 N ATOM 39651 C4 G 01893 102.957 51.375 69.691 1.00517.43 C ATOM 39652 P U 01894 101.892 56.564 65.835 1.00517.43 P ATOM 39653 O1P U 01894 101.388 57.372 64.693 1.00517.43 O ATOM 39654 O2P U 01894 103.253 56.828 66.375 1.00517.43 O ATOM 39655 O5* U 01894 100.857 56.688 67.041 1.00517.43 O ATOM 39656 C5* U 01894 99.460 56.846 66.800 1.00517.43 C ATOM 39657 C4* U 01894 98.719 57.042 68.102 1.00517.43 C ATOM 39658 O4* U 01894 98.838 55.840 68.906 1.00517.43 O ATOM 39659 C3* U 01894 99.246 58.158 68.994 1.00517.43 C ATOM 39660 O3* U 01894 98.658 59.406 68.633 1.00517.43 O ATOM 39661 C2* U 01894 98.804 57.706 70.382 1.00517.43 C ATOM 39662 O2* U 01894 97.453 58.020 70.662 1.00517.43 O ATOM 39663 C1* U 01894 98.963 56.186 70.277 1.00517.43 C ATOM 39664 N1 U 01894 100.255 55.677 70.771 1.00517.43 N ATOM 39665 C2 U 01894 100.358 55.359 72.120 1.00517.43 C ATOM 39666 O2 U 01894 99.431 55.492 72.908 1.00517.43 O ATOM 39667 N3 U 01894 101.587 54.876 72.507 1.00517.43 N ATOM 39668 C4 U 01894 102.695 54.675 71.701 1.00517.43 C ATOM 39669 O4 U 01894 103.707 54.160 72.176 1.00517.43 O ATOM 39670 C5 U 01894 102.510 55.037 70.332 1.00517.43 C ATOM 39671 C6 U 01894 101.330 55.513 69.925 1.00517.43 C ATOM 39672 P A 01895 99.553 60.748 68.627 1.00517.43 P ATOM 39673 O1P A 01895 99.352 61.428 67.325 1.00517.43 O ATOM 39674 O2P A 01895 100.928 60.401 69.072 1.00517.43 O ATOM 39675 O5* A 01895 98.892 61.655 69.763 1.00517.43 O ATOM 39676 C5* A 01895 97.481 61.865 69.805 1.00517.43 C ATOM 39677 C4* A 01895 96.988 61.820 71.234 1.00517.43 C ATOM 39678 O4* A 01895 97.389 60.549 71.817 1.00517.43 O ATOM 39679 C3* A 01895 97.576 62.866 72.174 1.00517.43 C ATOM 39680 O3* A 01895 96.836 64.083 72.119 1.00517.43 O ATOM 39681 C2* A 01895 97.441 62.186 73.528 1.00517.43 C ATOM 39682 O2* A 01895 96.133 62.263 74.067 1.00517.43 O ATOM 39683 C1* A 01895 97.770 60.738 73.169 1.00517.43 C ATOM 39684 N9 A 01895 99.199 60.442 73.291 1.00517.43 N ATOM 39685 C8 A 01895 100.195 60.674 72.369 1.00517.43 C ATOM 39686 N7 A 01895 101.387 60.320 72.776 1.00517.43 N ATOM 39687 C5 A 01895 101.169 59.817 74.049 1.00517.43 C ATOM 39688 C6 A 01895 102.034 59.284 75.018 1.00517.43 C ATOM 39689 N6 A 01895 103.355 59.168 74.846 1.00517.43 N ATOM 39690 N1 A 01895 101.495 58.869 76.184 1.00517.43 N ATOM 39691 C2 A 01895 100.173 58.990 76.358 1.00517.43 C ATOM 39692 N3 A 01895 99.257 59.480 75.527 1.00517.43 N ATOM 39693 C4 A 01895 99.826 59.882 74.378 1.00517.43 C ATOM 39694 P A 01896 97.589 65.488 72.346 1.00517.43 P ATOM 39695 O1P A 01896 96.560 66.562 72.376 1.00517.43 O ATOM 39696 O2P A 01896 98.698 65.564 71.362 1.00517.43 O ATOM 39697 O5* A 01896 98.226 65.366 73.802 1.00517.43 O ATOM 39698 C5* A 01896 97.413 65.120 74.944 1.00517.43 C ATOM 39699 C4* A 01896 98.269 64.733 76.128 1.00517.43 C ATOM 39700 O4* A 01896 99.046 63.556 75.787 1.00517.43 O ATOM 39701 C3* A 01896 99.298 65.762 76.571 1.00517.43 C ATOM 39702 O3* A 01896 98.701 66.698 77.467 1.00517.43 O ATOM 39703 C2* A 01896 100.352 64.898 77.253 1.00517.43 C ATOM 39704 O2* A 01896 100.013 64.556 78.583 1.00517.43 O ATOM 39705 C1* A 01896 100.334 63.642 76.380 1.00517.43 C ATOM 39706 N9 A 01896 101.334 63.641 75.310 1.00517.43 N ATOM 39707 C8 A 01896 101.151 63.943 73.980 1.00517.43 C ATOM 39708 N7 A 01896 102.240 63.842 73.259 1.00517.43 N ATOM 39709 C5 A 01896 103.209 63.452 74.172 1.00517.43 C ATOM 39710 C6 A 01896 104.581 63.171 74.036 1.00517.43 C ATOM 39711 N6 A 01896 105.237 63.240 72.876 1.00517.43 N ATOM 39712 N1 A 01896 105.262 62.810 75.143 1.00517.43 N ATOM 39713 C2 A 01896 104.602 62.734 76.305 1.00517.43 C ATOM 39714 N3 A 01896 103.317 62.969 76.561 1.00517.43 N ATOM 39715 C4 A 01896 102.667 63.325 75.440 1.00517.43 C ATOM 39716 P C 01897 99.516 68.006 77.934 1.00517.43 P ATOM 39717 O1P C 01897 100.688 67.566 78.732 1.00517.43 O ATOM 39718 O2P C 01897 98.532 68.941 78.534 1.00517.43 O ATOM 39719 O5* C 01897 100.052 68.654 76.583 1.00517.43 O ATOM 39720 C5* C 01897 99.172 68.946 75.500 1.00517.43 C ATOM 39721 C4* C 01897 99.664 70.153 74.735 1.00517.43 C ATOM 39722 O4* C 01897 99.531 71.339 75.563 1.00517.43 O ATOM 39723 C3* C 01897 101.133 70.131 74.345 1.00517.43 C ATOM 39724 O3* C 01897 101.338 69.404 73.136 1.00517.43 O ATOM 39725 C2* C 01897 101.451 71.609 74.184 1.00517.43 C ATOM 39726 O2* C 01897 101.046 72.131 72.932 1.00517.43 O ATOM 39727 C1* C 01897 100.606 72.230 75.298 1.00517.43 C ATOM 39728 N1 C 01897 101.352 72.460 76.553 1.00517.43 N ATOM 39729 C2 C 01897 102.070 73.660 76.705 1.00517.43 C ATOM 39730 O2 C 01897 102.059 74.496 75.788 1.00517.43 O ATOM 39731 N3 C 01897 102.754 73.879 77.853 1.00517.43 N ATOM 39732 C4 C 01897 102.743 72.959 78.821 1.00517.43 C ATOM 39733 N4 C 01897 103.435 73.217 79.936 1.00517.43 N ATOM 39734 C5 C 01897 102.030 71.734 78.693 1.00517.43 C ATOM 39735 C6 C 01897 101.355 71.527 77.553 1.00517.43 C ATOM 39736 P U 01898 102.366 68.169 73.113 1.00517.43 P ATOM 39737 O1P U 01898 102.570 67.765 71.697 1.00517.43 O ATOM 39738 O2P U 01898 101.882 67.172 74.099 1.00517.43 O ATOM 39739 O5* U 01898 103.730 68.786 73.667 1.00517.43 O ATOM 39740 C5* U 01898 104.581 69.564 72.827 1.00517.43 C ATOM 39741 C4* U 01898 105.914 69.795 73.501 1.00517.43 C ATOM 39742 O4* U 01898 105.726 70.625 74.677 1.00517.43 O ATOM 39743 C3* U 01898 106.610 68.550 74.029 1.00517.43 C ATOM 39744 O3* U 01898 107.350 67.902 72.998 1.00517.43 O ATOM 39745 C2* U 01898 107.513 69.117 75.116 1.00517.43 C ATOM 39746 O2* U 01898 108.715 69.666 74.609 1.00517.43 O ATOM 39747 C1* U 01898 106.639 70.232 75.690 1.00517.43 C ATOM 39748 N1 U 01898 105.871 69.833 76.885 1.00517.43 N ATOM 39749 C2 U 01898 106.483 69.979 78.125 1.00517.43 C ATOM 39750 O2 U 01898 107.616 70.414 78.265 1.00517.43 O ATOM 39751 N3 U 01898 105.717 69.594 79.194 1.00517.43 N ATOM 39752 C4 U 01898 104.434 69.089 79.163 1.00517.43 C ATOM 39753 O4 U 01898 103.871 68.792 80.219 1.00517.43 O ATOM 39754 C5 U 01898 103.873 68.966 77.852 1.00517.43 C ATOM 39755 C6 U 01898 104.591 69.332 76.786 1.00517.43 C ATOM 39756 P A 01899 107.241 66.306 72.819 1.00517.43 P ATOM 39757 O1P A 01899 108.073 65.914 71.653 1.00517.43 O ATOM 39758 O2P A 01899 105.800 65.957 72.842 1.00517.43 O ATOM 39759 O5* A 01899 107.915 65.723 74.140 1.00517.43 O ATOM 39760 C5* A 01899 109.317 65.852 74.366 1.00517.43 C ATOM 39761 C4* A 01899 109.659 65.483 75.790 1.00517.43 C ATOM 39762 O4* A 01899 108.975 66.396 76.696 1.00517.43 O ATOM 39763 C3* A 01899 109.217 64.102 76.254 1.00517.43 C ATOM 39764 O3* A 01899 110.168 63.105 75.883 1.00517.43 O ATOM 39765 C2* A 01899 109.143 64.279 77.764 1.00517.43 C ATOM 39766 O2* A 01899 110.405 64.192 78.393 1.00517.43 O ATOM 39767 C1* A 01899 108.601 65.705 77.878 1.00517.43 C ATOM 39768 N9 A 01899 107.144 65.757 78.008 1.00517.43 N ATOM 39769 C8 A 01899 106.208 65.928 77.014 1.00517.43 C ATOM 39770 N7 A 01899 104.969 65.922 77.449 1.00517.43 N ATOM 39771 C5 A 01899 105.099 65.737 78.816 1.00517.43 C ATOM 39772 C6 A 01899 104.148 65.640 79.851 1.00517.43 C ATOM 39773 N6 A 01899 102.831 65.721 79.656 1.00517.43 N ATOM 39774 N1 A 01899 104.607 65.458 81.108 1.00517.43 N ATOM 39775 C2 A 01899 105.926 65.378 81.301 1.00517.43 C ATOM 39776 N3 A 01899 106.917 65.455 80.417 1.00517.43 N ATOM 39777 C4 A 01899 106.429 65.636 79.175 1.00517.43 C ATOM 39778 P U 01900 109.749 61.551 75.925 1.00517.43 P ATOM 39779 O1P U 01900 110.957 60.739 75.624 1.00517.43 O ATOM 39780 O2P U 01900 108.532 61.390 75.085 1.00517.43 O ATOM 39781 O5* U 01900 109.342 61.302 77.446 1.00517.43 O ATOM 39782 C5* U 01900 108.928 60.018 77.901 1.00517.43 C ATOM 39783 C4* U 01900 108.487 60.095 79.344 1.00517.43 C ATOM 39784 O4* U 01900 107.400 61.049 79.464 1.00517.43 O ATOM 39785 C3* U 01900 107.925 58.813 79.934 1.00517.43 C ATOM 39786 O3* U 01900 108.974 57.980 80.420 1.00517.43 O ATOM 39787 C2* U 01900 107.060 59.330 81.081 1.00517.43 C ATOM 39788 O2* U 01900 107.783 59.586 82.266 1.00517.43 O ATOM 39789 C1* U 01900 106.533 60.651 80.512 1.00517.43 C ATOM 39790 N1 U 01900 105.156 60.569 79.994 1.00517.43 N ATOM 39791 C2 U 01900 104.124 60.873 80.866 1.00517.43 C ATOM 39792 O2 U 01900 104.306 61.202 82.029 1.00517.43 O ATOM 39793 N3 U 01900 102.863 60.778 80.331 1.00517.43 N ATOM 39794 C4 U 01900 102.535 60.419 79.042 1.00517.43 C ATOM 39795 O4 U 01900 101.348 60.390 78.708 1.00517.43 O ATOM 39796 C5 U 01900 103.653 60.118 78.201 1.00517.43 C ATOM 39797 C6 U 01900 104.893 60.202 78.692 1.00517.43 C ATOM 39798 P A 01901 108.998 56.415 80.045 1.00517.43 P ATOM 39799 O1P A 01901 109.971 55.740 80.941 1.00517.43 O ATOM 39800 O2P A 01901 109.164 56.316 78.572 1.00517.43 O ATOM 39801 O5* A 01901 107.535 55.895 80.412 1.00517.43 O ATOM 39802 C5* A 01901 106.998 56.065 81.721 1.00517.43 C ATOM 39803 C4* A 01901 105.489 55.960 81.683 1.00517.43 C ATOM 39804 O4* A 01901 104.968 57.002 80.816 1.00517.43 O ATOM 39805 C3* A 01901 104.945 54.661 81.106 1.00517.43 C ATOM 39806 O3* A 01901 104.843 53.666 82.122 1.00517.43 O ATOM 39807 C2* A 01901 103.591 55.089 80.559 1.00517.43 C ATOM 39808 O2* A 01901 102.593 55.185 81.557 1.00517.43 O ATOM 39809 C1* A 01901 103.914 56.482 80.018 1.00517.43 C ATOM 39810 N9 A 01901 104.357 56.481 78.619 1.00517.43 N ATOM 39811 C8 A 01901 105.628 56.714 78.150 1.00517.43 C ATOM 39812 N7 A 01901 105.730 56.654 76.846 1.00517.43 N ATOM 39813 C5 A 01901 104.442 56.359 76.424 1.00517.43 C ATOM 39814 C6 A 01901 103.891 56.164 75.148 1.00517.43 C ATOM 39815 N6 A 01901 104.602 56.244 74.021 1.00517.43 N ATOM 39816 N1 A 01901 102.570 55.883 75.069 1.00517.43 N ATOM 39817 C2 A 01901 101.866 55.807 76.206 1.00517.43 C ATOM 39818 N3 A 01901 102.270 55.972 77.463 1.00517.43 N ATOM 39819 C4 A 01901 103.584 56.249 77.505 1.00517.43 C ATOM 39820 P A 01902 104.513 52.142 81.723 1.00517.43 P ATOM 39821 O1P A 01902 104.978 51.266 82.831 1.00517.43 O ATOM 39822 O2P A 01902 105.009 51.903 80.344 1.00517.43 O ATOM 39823 O5* A 01902 102.919 52.096 81.689 1.00517.43 O ATOM 39824 C5* A 01902 102.153 52.390 82.855 1.00517.43 C ATOM 39825 C4* A 01902 100.674 52.349 82.541 1.00517.43 C ATOM 39826 O4* A 01902 100.364 53.374 81.559 1.00517.43 O ATOM 39827 C3* A 01902 100.172 51.060 81.912 1.00517.43 C ATOM 39828 O3* A 01902 99.880 50.082 82.903 1.00517.43 O ATOM 39829 C2* A 01902 98.914 51.523 81.186 1.00517.43 C ATOM 39830 O2* A 01902 97.793 51.650 82.039 1.00517.43 O ATOM 39831 C1* A 01902 99.344 52.908 80.688 1.00517.43 C ATOM 39832 N9 A 01902 99.868 52.896 79.321 1.00517.43 N ATOM 39833 C8 A 01902 101.167 52.695 78.913 1.00517.43 C ATOM 39834 N7 A 01902 101.322 52.738 77.614 1.00517.43 N ATOM 39835 C5 A 01902 100.046 52.983 77.128 1.00517.43 C ATOM 39836 C6 A 01902 99.539 53.137 75.828 1.00517.43 C ATOM 39837 N6 A 01902 100.294 53.064 74.727 1.00517.43 N ATOM 39838 N1 A 01902 98.216 53.369 75.691 1.00517.43 N ATOM 39839 C2 A 01902 97.463 53.441 76.793 1.00517.43 C ATOM 39840 N3 A 01902 97.818 53.314 78.070 1.00517.43 N ATOM 39841 C4 A 01902 99.140 53.082 78.172 1.00517.43 C ATOM 39842 P C 01903 100.283 48.545 82.650 1.00517.43 P ATOM 39843 O1P C 01903 99.638 47.717 83.699 1.00517.43 O ATOM 39844 O2P C 01903 101.760 48.499 82.482 1.00517.43 O ATOM 39845 O5* C 01903 99.605 48.200 81.251 1.00517.43 O ATOM 39846 C5* C 01903 100.099 47.138 80.434 1.00517.43 C ATOM 39847 C4* C 01903 99.409 47.151 79.094 1.00517.43 C ATOM 39848 O4* C 01903 99.567 48.461 78.482 1.00517.43 O ATOM 39849 C3* C 01903 99.971 46.185 78.062 1.00517.43 C ATOM 39850 O3* C 01903 99.409 44.886 78.226 1.00517.43 O ATOM 39851 C2* C 01903 99.550 46.832 76.750 1.00517.43 C ATOM 39852 O2* C 01903 98.203 46.567 76.401 1.00517.43 O ATOM 39853 C1* C 01903 99.713 48.320 77.077 1.00517.43 C ATOM 39854 N1 C 01903 101.023 48.873 76.679 1.00517.43 N ATOM 39855 C2 C 01903 101.183 49.372 75.373 1.00517.43 C ATOM 39856 O2 C 01903 100.221 49.333 74.588 1.00517.43 O ATOM 39857 N3 C 01903 102.382 49.877 75.003 1.00517.43 N ATOM 39858 C4 C 01903 103.395 49.902 75.871 1.00517.43 C ATOM 39859 N4 C 01903 104.560 50.408 75.460 1.00517.43 N ATOM 39860 C5 C 01903 103.262 49.402 77.203 1.00517.43 C ATOM 39861 C6 C 01903 102.072 48.905 77.558 1.00517.43 C ATOM 39862 P G 01904 100.211 43.596 77.694 1.00517.43 P ATOM 39863 O1P G 01904 99.475 42.381 78.127 1.00517.43 O ATOM 39864 O2P G 01904 101.637 43.761 78.075 1.00517.43 O ATOM 39865 O5* G 01904 100.108 43.708 76.108 1.00517.43 O ATOM 39866 C5* G 01904 98.852 43.580 75.445 1.00517.43 C ATOM 39867 C4* G 01904 99.006 43.848 73.965 1.00517.43 C ATOM 39868 O4* G 01904 99.421 45.225 73.763 1.00517.43 O ATOM 39869 C3* G 01904 100.070 43.030 73.252 1.00517.43 C ATOM 39870 O3* G 01904 99.563 41.749 72.874 1.00517.43 O ATOM 39871 C2* G 01904 100.387 43.899 72.041 1.00517.43 C ATOM 39872 O2* G 01904 99.449 43.758 70.993 1.00517.43 O ATOM 39873 C1* G 01904 100.287 45.300 72.642 1.00517.43 C ATOM 39874 N9 G 01904 101.575 45.837 73.080 1.00517.43 N ATOM 39875 C8 G 01904 102.107 45.792 74.350 1.00517.43 C ATOM 39876 N7 G 01904 103.282 46.357 74.434 1.00517.43 N ATOM 39877 C5 G 01904 103.540 46.803 73.146 1.00517.43 C ATOM 39878 C6 G 01904 104.665 47.493 72.621 1.00517.43 C ATOM 39879 O6 G 01904 105.691 47.857 73.210 1.00517.43 O ATOM 39880 N1 G 01904 104.519 47.749 71.261 1.00517.43 N ATOM 39881 C2 G 01904 103.430 47.397 70.504 1.00517.43 C ATOM 39882 N2 G 01904 103.478 47.736 69.208 1.00517.43 N ATOM 39883 N3 G 01904 102.378 46.755 70.979 1.00517.43 N ATOM 39884 C4 G 01904 102.497 46.492 72.299 1.00517.43 C ATOM 39885 P G 01905 100.574 40.514 72.690 1.00517.43 P ATOM 39886 O1P G 01905 99.768 39.295 72.415 1.00517.43 O ATOM 39887 O2P G 01905 101.517 40.524 73.840 1.00517.43 O ATOM 39888 O5* G 01905 101.395 40.882 71.373 1.00517.43 O ATOM 39889 C5* G 01905 100.756 40.921 70.101 1.00517.43 C ATOM 39890 C4* G 01905 101.745 41.307 69.024 1.00517.43 C ATOM 39891 O4* G 01905 102.215 42.659 69.263 1.00517.43 O ATOM 39892 C3* G 01905 103.018 40.474 68.961 1.00517.43 C ATOM 39893 O3* G 01905 102.807 39.281 68.212 1.00517.43 O ATOM 39894 C2* G 01905 103.988 41.421 68.261 1.00517.43 C ATOM 39895 O2* G 01905 103.836 41.431 66.856 1.00517.43 O ATOM 39896 C1* G 01905 103.565 42.775 68.836 1.00517.43 C ATOM 39897 N9 G 01905 104.376 43.212 69.971 1.00517.43 N ATOM 39898 C8 G 01905 104.149 42.960 71.306 1.00517.43 C ATOM 39899 N7 G 01905 105.056 43.489 72.085 1.00517.43 N ATOM 39900 C5 G 01905 105.934 44.118 71.217 1.00517.43 C ATOM 39901 C6 G 01905 107.117 44.860 71.482 1.00517.43 C ATOM 39902 O6 G 01905 107.637 45.117 72.576 1.00517.43 O ATOM 39903 N1 G 01905 107.701 45.325 70.309 1.00517.43 N ATOM 39904 C2 G 01905 107.216 45.106 69.045 1.00517.43 C ATOM 39905 N2 G 01905 107.929 45.641 68.038 1.00517.43 N ATOM 39906 N3 G 01905 106.116 44.420 68.783 1.00517.43 N ATOM 39907 C4 G 01905 105.532 43.959 69.908 1.00517.43 C ATOM 39908 P U 01906 103.632 37.951 68.580 1.00517.43 P ATOM 39909 O1P U 01906 103.204 36.870 67.655 1.00517.43 O ATOM 39910 O2P U 01906 103.522 37.742 70.048 1.00517.43 O ATOM 39911 O5* U 01906 105.143 38.327 68.246 1.00517.43 O ATOM 39912 C5* U 01906 105.545 38.634 66.913 1.00517.43 C ATOM 39913 C4* U 01906 106.948 39.193 66.899 1.00517.43 C ATOM 39914 O4* U 01906 106.978 40.430 67.660 1.00517.43 O ATOM 39915 C3* U 01906 108.015 38.324 67.548 1.00517.43 C ATOM 39916 O3* U 01906 108.504 37.344 66.635 1.00517.43 O ATOM 39917 C2* U 01906 109.082 39.351 67.920 1.00517.43 C ATOM 39918 O2* U 01906 109.908 39.716 66.833 1.00517.43 O ATOM 39919 C1* U 01906 108.217 40.542 68.343 1.00517.43 C ATOM 39920 N1 U 01906 107.959 40.593 69.792 1.00517.43 N ATOM 39921 C2 U 01906 108.875 41.255 70.595 1.00517.43 C ATOM 39922 O2 U 01906 109.882 41.792 70.157 1.00517.43 O ATOM 39923 N3 U 01906 108.574 41.262 71.933 1.00517.43 N ATOM 39924 C4 U 01906 107.477 40.692 72.545 1.00517.43 C ATOM 39925 O4 U 01906 107.347 40.785 73.767 1.00517.43 O ATOM 39926 C5 U 01906 106.577 40.032 71.653 1.00517.43 C ATOM 39927 C6 U 01906 106.839 40.003 70.342 1.00517.43 C ATOM 39928 P C 01907 109.338 36.084 67.185 1.00517.43 P ATOM 39929 O1P C 01907 109.356 35.045 66.121 1.00517.43 O ATOM 39930 O2P C 01907 108.821 35.741 68.534 1.00517.43 O ATOM 39931 O5* C 01907 110.819 36.651 67.354 1.00517.43 O ATOM 39932 C5* C 01907 111.616 36.970 66.216 1.00517.43 C ATOM 39933 C4* C 01907 112.961 37.509 66.645 1.00517.43 C ATOM 39934 O4* C 01907 112.779 38.772 67.337 1.00517.43 O ATOM 39935 C3* C 01907 113.739 36.651 67.629 1.00517.43 C ATOM 39936 O3* C 01907 114.463 35.627 66.954 1.00517.43 O ATOM 39937 C2* C 01907 114.665 37.671 68.282 1.00517.43 C ATOM 39938 O2* C 01907 115.811 37.963 67.504 1.00517.43 O ATOM 39939 C1* C 01907 113.762 38.905 68.353 1.00517.43 C ATOM 39940 N1 C 01907 113.079 39.063 69.656 1.00517.43 N ATOM 39941 C2 C 01907 113.715 39.800 70.670 1.00517.43 C ATOM 39942 O2 C 01907 114.832 40.302 70.446 1.00517.43 O ATOM 39943 N3 C 01907 113.098 39.949 71.862 1.00517.43 N ATOM 39944 C4 C 01907 111.900 39.396 72.068 1.00517.43 C ATOM 39945 N4 C 01907 111.331 39.567 73.263 1.00517.43 N ATOM 39946 C5 C 01907 111.231 38.643 71.059 1.00517.43 C ATOM 39947 C6 C 01907 111.852 38.501 69.882 1.00517.43 C ATOM 39948 P C 01908 114.700 34.210 67.677 1.00517.43 P ATOM 39949 O1P C 01908 115.217 33.257 66.659 1.00517.43 O ATOM 39950 O2P C 01908 113.465 33.875 68.433 1.00517.43 O ATOM 39951 O5* C 01908 115.856 34.506 68.736 1.00517.43 O ATOM 39952 C5* C 01908 117.221 34.226 68.435 1.00517.43 C ATOM 39953 C4* C 01908 118.029 34.100 69.707 1.00517.43 C ATOM 39954 O4* C 01908 118.107 35.391 70.364 1.00517.43 O ATOM 39955 C3* C 01908 117.445 33.178 70.766 1.00517.43 C ATOM 39956 O3* C 01908 117.778 31.817 70.516 1.00517.43 O ATOM 39957 C2* C 01908 118.101 33.700 72.038 1.00517.43 C ATOM 39958 O2* C 01908 119.418 33.222 72.227 1.00517.43 O ATOM 39959 C1* C 01908 118.128 35.210 71.772 1.00517.43 C ATOM 39960 N1 C 01908 116.987 35.937 72.364 1.00517.43 N ATOM 39961 C2 C 01908 117.097 36.414 73.683 1.00517.43 C ATOM 39962 O2 C 01908 118.148 36.220 74.312 1.00517.43 O ATOM 39963 N3 C 01908 116.053 37.077 74.234 1.00517.43 N ATOM 39964 C4 C 01908 114.935 37.267 73.528 1.00517.43 C ATOM 39965 N4 C 01908 113.932 37.925 74.113 1.00517.43 N ATOM 39966 C5 C 01908 114.796 36.794 72.190 1.00517.43 C ATOM 39967 C6 C 01908 115.835 36.141 71.655 1.00517.43 C ATOM 39968 P U 01909 116.612 30.751 70.233 1.00517.43 P ATOM 39969 O1P U 01909 117.138 29.393 70.527 1.00517.43 O ATOM 39970 O2P U 01909 116.063 31.047 68.884 1.00517.43 O ATOM 39971 O5* U 01909 115.486 31.105 71.306 1.00517.43 O ATOM 39972 C5* U 01909 115.574 30.637 72.648 1.00517.43 C ATOM 39973 C4* U 01909 115.804 31.795 73.592 1.00517.43 C ATOM 39974 O4* U 01909 114.765 32.794 73.406 1.00517.43 O ATOM 39975 C3* U 01909 115.733 31.458 75.073 1.00517.43 C ATOM 39976 O3* U 01909 116.975 30.939 75.535 1.00517.43 O ATOM 39977 C2* U 01909 115.413 32.809 75.699 1.00517.43 C ATOM 39978 O2* U 01909 116.551 33.635 75.851 1.00517.43 O ATOM 39979 C1* U 01909 114.474 33.412 74.648 1.00517.43 C ATOM 39980 N1 U 01909 113.046 33.224 74.955 1.00517.43 N ATOM 39981 C2 U 01909 112.423 34.169 75.759 1.00517.43 C ATOM 39982 O2 U 01909 113.000 35.144 76.216 1.00517.43 O ATOM 39983 N3 U 01909 111.093 33.933 76.008 1.00517.43 N ATOM 39984 C4 U 01909 110.337 32.873 75.550 1.00517.43 C ATOM 39985 O4 U 01909 109.146 32.801 75.866 1.00517.43 O ATOM 39986 C5 U 01909 111.046 31.941 74.729 1.00517.43 C ATOM 39987 C6 U 01909 112.341 32.144 74.465 1.00517.43 C ATOM 39988 P A 01910 116.991 29.735 76.600 1.00517.43 P ATOM 39989 O1P A 01910 118.404 29.441 76.945 1.00517.43 O ATOM 39990 O2P A 01910 116.126 28.653 76.069 1.00517.43 O ATOM 39991 O5* A 01910 116.284 30.352 77.888 1.00517.43 O ATOM 39992 C5* A 01910 116.047 29.555 79.047 1.00517.43 C ATOM 39993 C4* A 01910 116.283 30.369 80.299 1.00517.43 C ATOM 39994 O4* A 01910 117.663 30.820 80.316 1.00517.43 O ATOM 39995 C3* A 01910 115.464 31.648 80.421 1.00517.43 C ATOM 39996 O3* A 01910 114.180 31.382 80.979 1.00517.43 O ATOM 39997 C2* A 01910 116.330 32.495 81.344 1.00517.43 C ATOM 39998 O2* A 01910 116.182 32.161 82.710 1.00517.43 O ATOM 39999 C1* A 01910 117.736 32.128 80.865 1.00517.43 C ATOM 40000 N9 A 01910 118.254 33.032 79.836 1.00517.43 N ATOM 40001 C8 A 01910 118.148 32.908 78.471 1.00517.43 C ATOM 40002 N7 A 01910 118.718 33.884 77.807 1.00517.43 N ATOM 40003 C5 A 01910 119.232 34.708 78.799 1.00517.43 C ATOM 40004 C6 A 01910 119.951 35.915 78.746 1.00517.43 C ATOM 40005 N6 A 01910 120.289 36.529 77.610 1.00517.43 N ATOM 40006 N1 A 01910 120.316 36.480 79.918 1.00517.43 N ATOM 40007 C2 A 01910 119.977 35.865 81.057 1.00517.43 C ATOM 40008 N3 A 01910 119.304 34.732 81.236 1.00517.43 N ATOM 40009 C4 A 01910 118.954 34.195 80.053 1.00517.43 C ATOM 40010 P A 01911 113.070 32.547 81.023 1.00517.43 P ATOM 40011 O1P A 01911 111.812 31.970 81.556 1.00517.43 O ATOM 40012 O2P A 01911 113.063 33.220 79.697 1.00517.43 O ATOM 40013 O5* A 01911 113.643 33.573 82.100 1.00517.43 O ATOM 40014 C5* A 01911 113.090 34.879 82.241 1.00517.43 C ATOM 40015 C4* A 01911 114.000 35.738 83.091 1.00517.43 C ATOM 40016 O4* A 01911 115.327 35.747 82.501 1.00517.43 O ATOM 40017 C3* A 01911 113.619 37.204 83.187 1.00517.43 C ATOM 40018 O3* A 01911 112.660 37.412 84.223 1.00517.43 O ATOM 40019 C2* A 01911 114.949 37.866 83.516 1.00517.43 C ATOM 40020 O2* A 01911 115.290 37.785 84.886 1.00517.43 O ATOM 40021 C1* A 01911 115.924 37.020 82.692 1.00517.43 C ATOM 40022 N9 A 01911 116.230 37.589 81.378 1.00517.43 N ATOM 40023 C8 A 01911 115.496 37.492 80.219 1.00517.43 C ATOM 40024 N7 A 01911 116.032 38.113 79.198 1.00517.43 N ATOM 40025 C5 A 01911 117.203 38.653 79.716 1.00517.43 C ATOM 40026 C6 A 01911 118.223 39.430 79.137 1.00517.43 C ATOM 40027 N6 A 01911 118.229 39.808 77.858 1.00517.43 N ATOM 40028 N1 A 01911 119.250 39.806 79.927 1.00517.43 N ATOM 40029 C2 A 01911 119.246 39.424 81.211 1.00517.43 C ATOM 40030 N3 A 01911 118.344 38.699 81.870 1.00517.43 N ATOM 40031 C4 A 01911 117.338 38.340 81.057 1.00517.43 C ATOM 40032 P G 01912 111.438 38.431 83.988 1.00517.43 P ATOM 40033 O1P G 01912 110.738 38.624 85.284 1.00517.43 O ATOM 40034 O2P G 01912 110.670 37.948 82.812 1.00517.43 O ATOM 40035 O5* G 01912 112.142 39.802 83.590 1.00517.43 O ATOM 40036 C5* G 01912 113.002 40.481 84.503 1.00517.43 C ATOM 40037 C4* G 01912 113.578 41.719 83.858 1.00517.43 C ATOM 40038 O4* G 01912 114.387 41.331 82.718 1.00517.43 O ATOM 40039 C3* G 01912 112.561 42.700 83.293 1.00517.43 C ATOM 40040 O3* G 01912 112.106 43.588 84.311 1.00517.43 O ATOM 40041 C2* G 01912 113.363 43.423 82.215 1.00517.43 C ATOM 40042 O2* G 01912 114.162 44.472 82.728 1.00517.43 O ATOM 40043 C1* G 01912 114.258 42.300 81.691 1.00517.43 C ATOM 40044 N9 G 01912 113.814 41.620 80.474 1.00517.43 N ATOM 40045 C8 G 01912 114.625 41.032 79.535 1.00517.43 C ATOM 40046 N7 G 01912 113.962 40.492 78.548 1.00517.43 N ATOM 40047 C5 G 01912 112.629 40.736 78.851 1.00517.43 C ATOM 40048 C6 G 01912 111.449 40.385 78.147 1.00517.43 C ATOM 40049 O6 G 01912 111.342 39.767 77.080 1.00517.43 O ATOM 40050 N1 G 01912 110.308 40.829 78.809 1.00517.43 N ATOM 40051 C2 G 01912 110.302 41.520 79.995 1.00517.43 C ATOM 40052 N2 G 01912 109.095 41.861 80.474 1.00517.43 N ATOM 40053 N3 G 01912 111.395 41.854 80.661 1.00517.43 N ATOM 40054 C4 G 01912 112.516 41.433 80.035 1.00517.43 C ATOM 40055 P G 01913 113.639 41.705 81.983 1.00737.35 P ATOM 40056 O1P G 01913 112.657 41.021 81.102 1.00737.35 O ATOM 40057 O2P G 01913 114.430 42.843 81.452 1.00737.35 O ATOM 40058 O5* G 01913 112.883 42.200 83.296 1.00737.35 O ATOM 40059 C5* G 01913 111.938 41.360 83.956 1.00737.35 C ATOM 40060 C4* G 01913 112.359 41.112 85.387 1.00737.35 C ATOM 40061 O4* G 01913 113.679 40.504 85.392 1.00737.35 O ATOM 40062 C3* G 01913 112.518 42.342 86.268 1.00737.35 C ATOM 40063 O3* G 01913 111.270 42.749 86.826 1.00737.35 O ATOM 40064 C2* G 01913 113.473 41.840 87.342 1.00737.35 C ATOM 40065 O2* G 01913 112.828 41.054 88.327 1.00737.35 O ATOM 40066 C1* G 01913 114.413 40.959 86.520 1.00737.35 C ATOM 40067 N9 G 01913 115.596 41.676 86.050 1.00737.35 N ATOM 40068 C8 G 01913 115.749 42.336 84.852 1.00737.35 C ATOM 40069 N7 G 01913 116.922 42.895 84.719 1.00737.35 N ATOM 40070 C5 G 01913 117.585 42.585 85.899 1.00737.35 C ATOM 40071 C6 G 01913 118.894 42.923 86.334 1.00737.35 C ATOM 40072 O6 G 01913 119.756 43.585 85.743 1.00737.35 O ATOM 40073 N1 G 01913 119.163 42.405 87.595 1.00737.35 N ATOM 40074 C2 G 01913 118.289 41.659 88.346 1.00737.35 C ATOM 40075 N2 G 01913 118.736 41.250 89.542 1.00737.35 N ATOM 40076 N3 G 01913 117.065 41.339 87.955 1.00737.35 N ATOM 40077 C4 G 01913 116.783 41.832 86.730 1.00737.35 C ATOM 40078 P U 01914 111.078 44.263 87.342 1.00737.35 P ATOM 40079 O1P U 01914 109.889 44.813 86.639 1.00737.35 O ATOM 40080 O2P U 01914 112.378 44.979 87.249 1.00737.35 O ATOM 40081 O5* U 01914 110.720 44.102 88.887 1.00737.35 O ATOM 40082 C5* U 01914 109.388 43.814 89.309 1.00737.35 C ATOM 40083 C4* U 01914 109.386 43.240 90.707 1.00737.35 C ATOM 40084 O4* U 01914 110.117 41.987 90.710 1.00737.35 O ATOM 40085 C3* U 01914 110.073 44.067 91.781 1.00737.35 C ATOM 40086 O3* U 01914 109.209 45.081 92.287 1.00737.35 O ATOM 40087 C2* U 01914 110.399 43.016 92.836 1.00737.35 C ATOM 40088 O2* U 01914 109.298 42.698 93.664 1.00737.35 O ATOM 40089 C1* U 01914 110.761 41.810 91.964 1.00737.35 C ATOM 40090 N1 U 01914 112.206 41.663 91.733 1.00737.35 N ATOM 40091 C2 U 01914 112.857 40.612 92.367 1.00737.35 C ATOM 40092 O2 U 01914 112.285 39.808 93.085 1.00737.35 O ATOM 40093 N3 U 01914 114.206 40.538 92.124 1.00737.35 N ATOM 40094 C4 U 01914 114.958 41.379 91.330 1.00737.35 C ATOM 40095 O4 U 01914 116.168 41.180 91.212 1.00737.35 O ATOM 40096 C5 U 01914 114.217 42.432 90.708 1.00737.35 C ATOM 40097 C6 U 01914 112.902 42.537 90.924 1.00737.35 C ATOM 40098 P A 01915 109.827 46.467 92.823 1.00737.35 P ATOM 40099 O1P A 01915 108.705 47.436 92.922 1.00737.35 O ATOM 40100 O2P A 01915 111.016 46.806 91.998 1.00737.35 O ATOM 40101 O5* A 01915 110.328 46.125 94.299 1.00737.35 O ATOM 40102 C5* A 01915 109.398 45.961 95.369 1.00737.35 C ATOM 40103 C4* A 01915 110.117 45.956 96.698 1.00737.35 C ATOM 40104 O4* A 01915 110.990 44.799 96.772 1.00737.35 O ATOM 40105 C3* A 01915 111.040 47.136 96.964 1.00737.35 C ATOM 40106 O3* A 01915 110.318 48.253 97.470 1.00737.35 O ATOM 40107 C2* A 01915 111.996 46.569 98.009 1.00737.35 C ATOM 40108 O2* A 01915 111.462 46.587 99.318 1.00737.35 O ATOM 40109 C1* A 01915 112.144 45.123 97.534 1.00737.35 C ATOM 40110 N9 A 01915 113.329 44.902 96.702 1.00737.35 N ATOM 40111 C8 A 01915 113.413 44.862 95.333 1.00737.35 C ATOM 40112 N7 A 01915 114.624 44.644 94.881 1.00737.35 N ATOM 40113 C5 A 01915 115.396 44.533 96.030 1.00737.35 C ATOM 40114 C6 A 01915 116.766 44.300 96.233 1.00737.35 C ATOM 40115 N6 A 01915 117.643 44.131 95.241 1.00737.35 N ATOM 40116 N1 A 01915 117.213 44.246 97.506 1.00737.35 N ATOM 40117 C2 A 01915 116.335 44.417 98.501 1.00737.35 C ATOM 40118 N3 A 01915 115.023 44.642 98.438 1.00737.35 N ATOM 40119 C4 A 01915 114.611 44.688 97.159 1.00737.35 C ATOM 40120 P G 01916 110.745 49.743 97.042 1.00737.35 P ATOM 40121 O1P G 01916 109.938 50.687 97.856 1.00737.35 O ATOM 40122 O2P G 01916 110.701 49.833 95.558 1.00737.35 O ATOM 40123 O5* G 01916 112.268 49.862 97.502 1.00737.35 O ATOM 40124 C5* G 01916 112.628 49.797 98.880 1.00737.35 C ATOM 40125 C4* G 01916 114.125 49.654 99.026 1.00737.35 C ATOM 40126 O4* G 01916 114.549 48.415 98.399 1.00737.35 O ATOM 40127 C3* G 01916 114.964 50.732 98.351 1.00737.35 C ATOM 40128 O3* G 01916 115.117 51.864 99.204 1.00737.35 O ATOM 40129 C2* G 01916 116.286 50.012 98.112 1.00737.35 C ATOM 40130 O2* G 01916 117.109 49.966 99.259 1.00737.35 O ATOM 40131 C1* G 01916 115.805 48.602 97.762 1.00737.35 C ATOM 40132 N9 G 01916 115.632 48.379 96.328 1.00737.35 N ATOM 40133 C8 G 01916 114.461 48.470 95.611 1.00737.35 C ATOM 40134 N7 G 01916 114.614 48.211 94.341 1.00737.35 N ATOM 40135 C5 G 01916 115.969 47.932 94.208 1.00737.35 C ATOM 40136 C6 G 01916 116.725 47.582 93.061 1.00737.35 C ATOM 40137 O6 G 01916 116.338 47.441 91.896 1.00737.35 O ATOM 40138 N1 G 01916 118.067 47.389 93.372 1.00737.35 N ATOM 40139 C2 G 01916 118.613 47.516 94.625 1.00737.35 C ATOM 40140 N2 G 01916 119.934 47.292 94.720 1.00737.35 N ATOM 40141 N3 G 01916 117.920 47.840 95.704 1.00737.35 N ATOM 40142 C4 G 01916 116.613 48.034 95.425 1.00737.35 C ATOM 40143 P C 01917 115.479 53.299 98.576 1.00737.35 P ATOM 40144 O1P C 01917 115.267 54.311 99.643 1.00737.35 O ATOM 40145 O2P C 01917 114.768 53.445 97.279 1.00737.35 O ATOM 40146 O5* C 01917 117.042 53.208 98.277 1.00737.35 O ATOM 40147 C5* C 01917 117.988 53.114 99.343 1.00737.35 C ATOM 40148 C4* C 01917 119.362 52.787 98.799 1.00737.35 C ATOM 40149 O4* C 01917 119.308 51.506 98.117 1.00737.35 O ATOM 40150 C3* C 01917 119.909 53.751 97.757 1.00737.35 C ATOM 40151 O3* C 01917 120.568 54.853 98.375 1.00737.35 O ATOM 40152 C2* C 01917 120.895 52.874 96.993 1.00737.35 C ATOM 40153 O2* C 01917 122.140 52.735 97.645 1.00737.35 O ATOM 40154 C1* C 01917 120.162 51.530 96.983 1.00737.35 C ATOM 40155 N1 C 01917 119.346 51.310 95.773 1.00737.35 N ATOM 40156 C2 C 01917 119.950 50.735 94.640 1.00737.35 C ATOM 40157 O2 C 01917 121.155 50.432 94.683 1.00737.35 O ATOM 40158 N3 C 01917 119.204 50.527 93.530 1.00737.35 N ATOM 40159 C4 C 01917 117.912 50.865 93.520 1.00737.35 C ATOM 40160 N4 C 01917 117.214 50.636 92.405 1.00737.35 N ATOM 40161 C5 C 01917 117.276 51.453 94.650 1.00737.35 C ATOM 40162 C6 C 01917 118.023 51.656 95.744 1.00737.35 C ATOM 40163 P G 01918 120.401 56.332 97.765 1.00737.35 P ATOM 40164 O1P G 01918 121.354 57.215 98.487 1.00737.35 O ATOM 40165 O2P G 01918 118.956 56.672 97.748 1.00737.35 O ATOM 40166 O5* G 01918 120.899 56.198 96.256 1.00737.35 O ATOM 40167 C5* G 01918 122.202 55.702 95.950 1.00737.35 C ATOM 40168 C4* G 01918 122.340 55.470 94.462 1.00737.35 C ATOM 40169 O4* G 01918 121.310 54.542 94.031 1.00737.35 O ATOM 40170 C3* G 01918 122.141 56.694 93.582 1.00737.35 C ATOM 40171 O3* G 01918 123.358 57.425 93.437 1.00737.35 O ATOM 40172 C2* G 01918 121.709 56.074 92.257 1.00737.35 C ATOM 40173 O2* G 01918 122.794 55.602 91.481 1.00737.35 O ATOM 40174 C1* G 01918 120.863 54.890 92.732 1.00737.35 C ATOM 40175 N9 G 01918 119.429 55.179 92.791 1.00737.35 N ATOM 40176 C8 G 01918 118.657 55.342 93.917 1.00737.35 C ATOM 40177 N7 G 01918 117.405 55.591 93.649 1.00737.35 N ATOM 40178 C5 G 01918 117.344 55.591 92.263 1.00737.35 C ATOM 40179 C6 G 01918 116.243 55.807 91.391 1.00737.35 C ATOM 40180 O6 G 01918 115.066 56.046 91.681 1.00737.35 O ATOM 40181 N1 G 01918 116.625 55.722 90.056 1.00737.35 N ATOM 40182 C2 G 01918 117.897 55.464 89.613 1.00737.35 C ATOM 40183 N2 G 01918 118.063 55.423 88.283 1.00737.35 N ATOM 40184 N3 G 01918 118.930 55.260 90.413 1.00737.35 N ATOM 40185 C4 G 01918 118.584 55.338 91.716 1.00737.35 C ATOM 40186 P A 01919 123.370 59.012 93.697 1.00737.35 P ATOM 40187 O1P A 01919 123.705 59.220 95.128 1.00737.35 O ATOM 40188 O2P A 01919 122.116 59.589 93.147 1.00737.35 O ATOM 40189 O5* A 01919 124.585 59.551 92.813 1.00737.35 O ATOM 40190 C5* A 01919 125.924 59.092 93.012 1.00737.35 C ATOM 40191 C4* A 01919 126.894 59.990 92.274 1.00737.35 C ATOM 40192 O4* A 01919 126.508 59.981 90.875 1.00737.35 O ATOM 40193 C3* A 01919 126.861 61.456 92.704 1.00737.35 C ATOM 40194 O3* A 01919 127.893 61.786 93.642 1.00737.35 O ATOM 40195 C2* A 01919 127.194 62.198 91.409 1.00737.35 C ATOM 40196 O2* A 01919 128.586 62.326 91.184 1.00737.35 O ATOM 40197 C1* A 01919 126.594 61.285 90.341 1.00737.35 C ATOM 40198 N9 A 01919 125.266 61.674 89.865 1.00737.35 N ATOM 40199 C8 A 01919 124.093 61.749 90.576 1.00737.35 C ATOM 40200 N7 A 01919 123.060 62.115 89.856 1.00737.35 N ATOM 40201 C5 A 01919 123.589 62.296 88.585 1.00737.35 C ATOM 40202 C6 A 01919 123.007 62.681 87.365 1.00737.35 C ATOM 40203 N6 A 01919 121.710 62.958 87.219 1.00737.35 N ATOM 40204 N1 A 01919 123.814 62.771 86.285 1.00737.35 N ATOM 40205 C2 A 01919 125.113 62.487 86.430 1.00737.35 C ATOM 40206 N3 A 01919 125.777 62.113 87.522 1.00737.35 N ATOM 40207 C4 A 01919 124.947 62.035 88.579 1.00737.35 C ATOM 40208 P A 01920 128.014 61.028 95.064 1.00737.35 P ATOM 40209 O1P A 01920 128.159 62.079 96.102 1.00737.35 O ATOM 40210 O2P A 01920 129.075 60.000 94.912 1.00737.35 O ATOM 40211 O5* A 01920 126.628 60.279 95.302 1.00737.35 O ATOM 40212 C5* A 01920 126.207 59.926 96.621 1.00737.35 C ATOM 40213 C4* A 01920 126.553 58.481 96.929 1.00737.35 C ATOM 40214 O4* A 01920 125.940 57.608 95.947 1.00737.35 O ATOM 40215 C3* A 01920 128.024 58.095 96.880 1.00737.35 C ATOM 40216 O3* A 01920 128.674 58.420 98.108 1.00737.35 O ATOM 40217 C2* A 01920 127.957 56.580 96.699 1.00737.35 C ATOM 40218 O2* A 01920 127.788 55.884 97.918 1.00737.35 O ATOM 40219 C1* A 01920 126.700 56.417 95.837 1.00737.35 C ATOM 40220 N9 A 01920 126.958 56.147 94.421 1.00737.35 N ATOM 40221 C8 A 01920 127.922 56.689 93.603 1.00737.35 C ATOM 40222 N7 A 01920 127.896 56.225 92.378 1.00737.35 N ATOM 40223 C5 A 01920 126.846 55.318 92.384 1.00737.35 C ATOM 40224 C6 A 01920 126.304 54.488 91.385 1.00737.35 C ATOM 40225 N6 A 01920 126.769 54.431 90.135 1.00737.35 N ATOM 40226 N1 A 01920 125.255 53.705 91.719 1.00737.35 N ATOM 40227 C2 A 01920 124.793 53.757 92.975 1.00737.35 C ATOM 40228 N3 A 01920 125.217 54.493 94.001 1.00737.35 N ATOM 40229 C4 A 01920 126.259 55.261 93.635 1.00737.35 C ATOM 40230 P A 01921 130.092 59.181 98.097 1.00737.35 P ATOM 40231 O1P A 01921 130.645 59.083 99.471 1.00737.35 O ATOM 40232 O2P A 01921 129.907 60.518 97.477 1.00737.35 O ATOM 40233 O5* A 01921 131.018 58.305 97.138 1.00737.35 O ATOM 40234 C5* A 01921 132.322 58.760 96.775 1.00737.35 C ATOM 40235 C4* A 01921 133.181 57.606 96.304 1.00737.35 C ATOM 40236 O4* A 01921 133.322 56.640 97.375 1.00737.35 O ATOM 40237 C3* A 01921 132.642 56.794 95.136 1.00737.35 C ATOM 40238 O3* A 01921 132.976 57.416 93.897 1.00737.35 O ATOM 40239 C2* A 01921 133.382 55.467 95.300 1.00737.35 C ATOM 40240 O2* A 01921 134.685 55.487 94.757 1.00737.35 O ATOM 40241 C1* A 01921 133.461 55.340 96.824 1.00737.35 C ATOM 40242 N9 A 01921 132.435 54.471 97.405 1.00737.35 N ATOM 40243 C8 A 01921 131.129 54.775 97.701 1.00737.35 C ATOM 40244 N7 A 01921 130.456 53.773 98.217 1.00737.35 N ATOM 40245 C5 A 01921 131.382 52.741 98.264 1.00737.35 C ATOM 40246 C6 A 01921 131.295 51.408 98.711 1.00737.35 C ATOM 40247 N6 A 01921 130.181 50.869 99.218 1.00737.35 N ATOM 40248 N1 A 01921 132.403 50.642 98.621 1.00737.35 N ATOM 40249 C2 A 01921 133.516 51.183 98.114 1.00737.35 C ATOM 40250 N3 A 01921 133.724 52.418 97.664 1.00737.35 N ATOM 40251 C4 A 01921 132.605 53.156 97.767 1.00737.35 C ATOM 40252 P U 01922 131.873 57.524 92.728 1.00737.35 P ATOM 40253 O1P U 01922 132.469 58.358 91.654 1.00737.35 O ATOM 40254 O2P U 01922 130.580 57.931 93.335 1.00737.35 O ATOM 40255 O5* U 01922 131.732 56.039 92.167 1.00737.35 O ATOM 40256 C5* U 01922 131.122 55.011 92.946 1.00737.35 C ATOM 40257 C4* U 01922 131.477 53.651 92.388 1.00737.35 C ATOM 40258 O4* U 01922 131.032 52.624 93.313 1.00737.35 O ATOM 40259 C3* U 01922 130.831 53.288 91.059 1.00737.35 C ATOM 40260 O3* U 01922 131.600 53.793 89.970 1.00737.35 O ATOM 40261 C2* U 01922 130.838 51.763 91.101 1.00737.35 C ATOM 40262 O2* U 01922 132.080 51.204 90.718 1.00737.35 O ATOM 40263 C1* U 01922 130.587 51.489 92.587 1.00737.35 C ATOM 40264 N1 U 01922 129.182 51.222 92.938 1.00737.35 N ATOM 40265 C2 U 01922 128.601 50.048 92.470 1.00737.35 C ATOM 40266 O2 U 01922 129.195 49.241 91.770 1.00737.35 O ATOM 40267 N3 U 01922 127.296 49.856 92.849 1.00737.35 N ATOM 40268 C4 U 01922 126.523 50.690 93.628 1.00737.35 C ATOM 40269 O4 U 01922 125.362 50.375 93.886 1.00737.35 O ATOM 40270 C5 U 01922 127.187 51.878 94.070 1.00737.35 C ATOM 40271 C6 U 01922 128.456 52.099 93.716 1.00737.35 C ATOM 40272 P U 01923 131.024 53.706 88.468 1.00737.35 P ATOM 40273 O1P U 01923 130.543 52.321 88.236 1.00737.35 O ATOM 40274 O2P U 01923 132.048 54.284 87.560 1.00737.35 O ATOM 40275 O5* U 01923 129.753 54.667 88.470 1.00737.35 O ATOM 40276 C5* U 01923 129.901 56.084 88.396 1.00737.35 C ATOM 40277 C4* U 01923 129.169 56.622 87.188 1.00737.35 C ATOM 40278 O4* U 01923 127.773 56.236 87.256 1.00737.35 O ATOM 40279 C3* U 01923 129.141 58.136 87.057 1.00737.35 C ATOM 40280 O3* U 01923 130.318 58.597 86.399 1.00737.35 O ATOM 40281 C2* U 01923 127.901 58.371 86.201 1.00737.35 C ATOM 40282 O2* U 01923 128.143 58.209 84.819 1.00737.35 O ATOM 40283 C1* U 01923 126.968 57.260 86.691 1.00737.35 C ATOM 40284 N1 U 01923 125.963 57.682 87.684 1.00737.35 N ATOM 40285 C2 U 01923 124.937 58.519 87.258 1.00737.35 C ATOM 40286 O2 U 01923 124.845 58.935 86.115 1.00737.35 O ATOM 40287 N3 U 01923 124.023 58.850 88.228 1.00737.35 N ATOM 40288 C4 U 01923 124.022 58.447 89.547 1.00737.35 C ATOM 40289 O4 U 01923 123.117 58.820 90.294 1.00737.35 O ATOM 40290 C5 U 01923 125.113 57.596 89.910 1.00737.35 C ATOM 40291 C6 U 01923 126.022 57.252 88.994 1.00737.35 C ATOM 40292 P C 01924 130.819 60.109 86.616 1.00737.35 P ATOM 40293 O1P C 01924 131.516 60.158 87.928 1.00737.35 O ATOM 40294 O2P C 01924 129.675 61.022 86.359 1.00737.35 O ATOM 40295 O5* C 01924 131.890 60.324 85.451 1.00737.35 O ATOM 40296 C5* C 01924 133.290 60.344 85.723 1.00737.35 C ATOM 40297 C4* C 01924 134.078 60.214 84.439 1.00737.35 C ATOM 40298 O4* C 01924 133.857 58.898 83.866 1.00737.35 O ATOM 40299 C3* C 01924 133.695 61.175 83.325 1.00737.35 C ATOM 40300 O3* C 01924 134.334 62.439 83.477 1.00737.35 O ATOM 40301 C2* C 01924 134.185 60.439 82.085 1.00737.35 C ATOM 40302 O2* C 01924 135.573 60.578 81.866 1.00737.35 O ATOM 40303 C1* C 01924 133.856 58.987 82.448 1.00737.35 C ATOM 40304 N1 C 01924 132.541 58.546 81.941 1.00737.35 N ATOM 40305 C2 C 01924 132.422 58.178 80.589 1.00737.35 C ATOM 40306 O2 C 01924 133.425 58.226 79.857 1.00737.35 O ATOM 40307 N3 C 01924 131.218 57.783 80.116 1.00737.35 N ATOM 40308 C4 C 01924 130.161 57.742 80.930 1.00737.35 C ATOM 40309 N4 C 01924 128.991 57.351 80.417 1.00737.35 N ATOM 40310 C5 C 01924 130.252 58.104 82.305 1.00737.35 C ATOM 40311 C6 C 01924 131.448 58.495 82.765 1.00737.35 C ATOM 40312 P C 01925 133.487 63.787 83.255 1.00737.35 P ATOM 40313 O1P C 01925 134.423 64.933 83.386 1.00737.35 O ATOM 40314 O2P C 01925 132.285 63.719 84.123 1.00737.35 O ATOM 40315 O5* C 01925 133.005 63.699 81.737 1.00737.35 O ATOM 40316 C5* C 01925 133.927 63.836 80.660 1.00737.35 C ATOM 40317 C4* C 01925 133.225 63.630 79.337 1.00737.35 C ATOM 40318 O4* C 01925 132.723 62.270 79.268 1.00737.35 O ATOM 40319 C3* C 01925 132.000 64.497 79.094 1.00737.35 C ATOM 40320 O3* C 01925 132.375 65.764 78.563 1.00737.35 O ATOM 40321 C2* C 01925 131.213 63.676 78.080 1.00737.35 C ATOM 40322 O2* C 01925 131.677 63.833 76.753 1.00737.35 O ATOM 40323 C1* C 01925 131.493 62.249 78.559 1.00737.35 C ATOM 40324 N1 C 01925 130.444 61.702 79.445 1.00737.35 N ATOM 40325 C2 C 01925 129.363 61.007 78.874 1.00737.35 C ATOM 40326 O2 C 01925 129.316 60.872 77.639 1.00737.35 O ATOM 40327 N3 C 01925 128.403 60.503 79.681 1.00737.35 N ATOM 40328 C4 C 01925 128.485 60.668 81.004 1.00737.35 C ATOM 40329 N4 C 01925 127.516 60.150 81.759 1.00737.35 N ATOM 40330 C5 C 01925 129.566 61.370 81.609 1.00737.35 C ATOM 40331 C6 C 01925 130.513 61.865 80.803 1.00737.35 C ATOM 40332 P U 01926 131.462 67.056 78.851 1.00737.35 P ATOM 40333 O1P U 01926 130.087 66.743 78.381 1.00737.35 O ATOM 40334 O2P U 01926 132.168 68.246 78.312 1.00737.35 O ATOM 40335 O5* U 01926 131.423 67.163 80.441 1.00737.35 O ATOM 40336 C5* U 01926 131.396 68.432 81.090 1.00737.35 C ATOM 40337 C4* U 01926 130.550 68.373 82.339 1.00737.35 C ATOM 40338 O4* U 01926 129.176 68.071 81.982 1.00737.35 O ATOM 40339 C3* U 01926 130.924 67.315 83.367 1.00737.35 C ATOM 40340 O3* U 01926 131.995 67.804 84.181 1.00737.35 O ATOM 40341 C2* U 01926 129.612 67.122 84.124 1.00737.35 C ATOM 40342 O2* U 01926 129.401 68.101 85.117 1.00737.35 O ATOM 40343 C1* U 01926 128.576 67.303 83.011 1.00737.35 C ATOM 40344 N1 U 01926 128.042 66.057 82.431 1.00737.35 N ATOM 40345 C2 U 01926 127.210 65.273 83.221 1.00737.35 C ATOM 40346 O2 U 01926 126.932 65.546 84.375 1.00737.35 O ATOM 40347 N3 U 01926 126.714 64.150 82.605 1.00737.35 N ATOM 40348 C4 U 01926 126.963 63.730 81.316 1.00737.35 C ATOM 40349 O4 U 01926 126.396 62.722 80.891 1.00737.35 O ATOM 40350 C5 U 01926 127.844 64.575 80.573 1.00737.35 C ATOM 40351 C6 U 01926 128.342 65.680 81.140 1.00737.35 C ATOM 40352 P U 01927 132.314 67.127 85.609 1.00737.35 P ATOM 40353 O1P U 01927 133.757 67.330 85.898 1.00737.35 O ATOM 40354 O2P U 01927 131.752 65.753 85.633 1.00737.35 O ATOM 40355 O5* U 01927 131.475 68.014 86.631 1.00737.35 O ATOM 40356 C5* U 01927 131.685 67.928 88.038 1.00737.35 C ATOM 40357 C4* U 01927 131.187 69.187 88.714 1.00737.35 C ATOM 40358 O4* U 01927 131.961 70.320 88.234 1.00737.35 O ATOM 40359 C3* U 01927 129.743 69.560 88.412 1.00737.35 C ATOM 40360 O3* U 01927 128.848 68.901 89.297 1.00737.35 O ATOM 40361 C2* U 01927 129.744 71.067 88.641 1.00737.35 C ATOM 40362 O2* U 01927 129.643 71.422 90.005 1.00737.35 O ATOM 40363 C1* U 01927 131.120 71.455 88.096 1.00737.35 C ATOM 40364 N1 U 01927 131.091 71.850 86.677 1.00737.35 N ATOM 40365 C2 U 01927 130.795 73.173 86.376 1.00737.35 C ATOM 40366 O2 U 01927 130.573 74.019 87.231 1.00737.35 O ATOM 40367 N3 U 01927 130.771 73.468 85.038 1.00737.35 N ATOM 40368 C4 U 01927 131.005 72.604 83.988 1.00737.35 C ATOM 40369 O4 U 01927 130.929 73.021 82.832 1.00737.35 O ATOM 40370 C5 U 01927 131.308 71.261 84.378 1.00737.35 C ATOM 40371 C6 U 01927 131.339 70.937 85.673 1.00737.35 C ATOM 40372 P G 01928 127.583 68.102 88.709 1.00737.35 P ATOM 40373 O1P G 01928 126.700 67.756 89.852 1.00737.35 O ATOM 40374 O2P G 01928 128.103 67.022 87.832 1.00737.35 O ATOM 40375 O5* G 01928 126.820 69.161 87.793 1.00737.35 O ATOM 40376 C5* G 01928 127.155 69.312 86.413 1.00737.35 C ATOM 40377 C4* G 01928 126.064 68.734 85.542 1.00737.35 C ATOM 40378 O4* G 01928 125.902 67.320 85.843 1.00737.35 O ATOM 40379 C3* G 01928 124.681 69.325 85.748 1.00737.35 C ATOM 40380 O3* G 01928 124.534 70.505 84.961 1.00737.35 O ATOM 40381 C2* G 01928 123.772 68.199 85.263 1.00737.35 C ATOM 40382 O2* G 01928 123.662 68.146 83.851 1.00737.35 O ATOM 40383 C1* G 01928 124.529 66.962 85.760 1.00737.35 C ATOM 40384 N9 G 01928 124.104 66.466 87.070 1.00737.35 N ATOM 40385 C8 G 01928 124.913 66.238 88.157 1.00737.35 C ATOM 40386 N7 G 01928 124.264 65.803 89.202 1.00737.35 N ATOM 40387 C5 G 01928 122.944 65.733 88.782 1.00737.35 C ATOM 40388 C6 G 01928 121.783 65.332 89.489 1.00737.35 C ATOM 40389 O6 G 01928 121.691 64.948 90.663 1.00737.35 O ATOM 40390 N1 G 01928 120.647 65.411 88.692 1.00737.35 N ATOM 40391 C2 G 01928 120.627 65.822 87.383 1.00737.35 C ATOM 40392 N2 G 01928 119.421 65.823 86.784 1.00737.35 N ATOM 40393 N3 G 01928 121.706 66.202 86.710 1.00737.35 N ATOM 40394 C4 G 01928 122.824 66.135 87.468 1.00737.35 C ATOM 40395 P U 01929 123.513 71.650 85.432 1.00737.35 P ATOM 40396 O1P U 01929 123.259 72.547 84.275 1.00737.35 O ATOM 40397 O2P U 01929 124.026 72.224 86.703 1.00737.35 O ATOM 40398 O5* U 01929 122.175 70.853 85.768 1.00737.35 O ATOM 40399 C5* U 01929 121.073 70.852 84.869 1.00737.35 C ATOM 40400 C4* U 01929 119.786 70.734 85.644 1.00737.35 C ATOM 40401 O4* U 01929 119.751 69.448 86.313 1.00737.35 O ATOM 40402 C3* U 01929 119.640 71.743 86.770 1.00737.35 C ATOM 40403 O3* U 01929 119.141 72.992 86.299 1.00737.35 O ATOM 40404 C2* U 01929 118.683 71.039 87.723 1.00737.35 C ATOM 40405 O2* U 01929 117.323 71.157 87.348 1.00737.35 O ATOM 40406 C1* U 01929 119.140 69.586 87.586 1.00737.35 C ATOM 40407 N1 U 01929 120.101 69.167 88.623 1.00737.35 N ATOM 40408 C2 U 01929 119.592 68.591 89.776 1.00737.35 C ATOM 40409 O2 U 01929 118.397 68.422 89.966 1.00737.35 O ATOM 40410 N3 U 01929 120.532 68.224 90.705 1.00737.35 N ATOM 40411 C4 U 01929 121.901 68.364 90.610 1.00737.35 C ATOM 40412 O4 U 01929 122.618 67.939 91.522 1.00737.35 O ATOM 40413 C5 U 01929 122.354 68.971 89.394 1.00737.35 C ATOM 40414 C6 U 01929 121.463 69.342 88.465 1.00737.35 C ATOM 40415 P C 01930 119.394 74.324 87.163 1.00737.35 P ATOM 40416 O1P C 01930 118.806 75.477 86.437 1.00737.35 O ATOM 40417 O2P C 01930 120.832 74.346 87.536 1.00737.35 O ATOM 40418 O5* C 01930 118.529 74.066 88.474 1.00737.35 O ATOM 40419 C5* C 01930 118.893 74.633 89.728 1.00737.35 C ATOM 40420 C4* C 01930 117.949 74.148 90.799 1.00737.35 C ATOM 40421 O4* C 01930 118.010 72.698 90.875 1.00737.35 O ATOM 40422 C3* C 01930 118.255 74.601 92.216 1.00737.35 C ATOM 40423 O3* C 01930 117.730 75.902 92.454 1.00737.35 O ATOM 40424 C2* C 01930 117.547 73.537 93.046 1.00737.35 C ATOM 40425 O2* C 01930 116.153 73.753 93.154 1.00737.35 O ATOM 40426 C1* C 01930 117.813 72.279 92.216 1.00737.35 C ATOM 40427 N1 C 01930 119.001 71.522 92.662 1.00737.35 N ATOM 40428 C2 C 01930 118.845 70.532 93.648 1.00737.35 C ATOM 40429 O2 C 01930 117.714 70.309 94.111 1.00737.35 O ATOM 40430 N3 C 01930 119.931 69.843 94.068 1.00737.35 N ATOM 40431 C4 C 01930 121.133 70.107 93.549 1.00737.35 C ATOM 40432 N4 C 01930 122.175 69.404 93.998 1.00737.35 N ATOM 40433 C5 C 01930 121.318 71.103 92.546 1.00737.35 C ATOM 40434 C6 C 01930 120.239 71.779 92.136 1.00737.35 C ATOM 40435 P G 01931 118.374 76.826 93.603 1.00737.35 P ATOM 40436 O1P G 01931 117.685 78.142 93.573 1.00737.35 O ATOM 40437 O2P G 01931 119.851 76.768 93.458 1.00737.35 O ATOM 40438 O5* G 01931 117.976 76.083 94.954 1.00737.35 O ATOM 40439 C5* G 01931 116.610 75.963 95.348 1.00737.35 C ATOM 40440 C4* G 01931 116.476 74.994 96.500 1.00737.35 C ATOM 40441 O4* G 01931 116.896 73.670 96.074 1.00737.35 O ATOM 40442 C3* G 01931 117.340 75.281 97.718 1.00737.35 C ATOM 40443 O3* G 01931 116.733 76.246 98.570 1.00737.35 O ATOM 40444 C2* G 01931 117.423 73.913 98.381 1.00737.35 C ATOM 40445 O2* G 01931 116.282 73.599 99.153 1.00737.35 O ATOM 40446 C1* G 01931 117.500 72.987 97.164 1.00737.35 C ATOM 40447 N9 G 01931 118.867 72.627 96.798 1.00737.35 N ATOM 40448 C8 G 01931 119.585 73.065 95.706 1.00737.35 C ATOM 40449 N7 G 01931 120.787 72.560 95.650 1.00737.35 N ATOM 40450 C5 G 01931 120.870 71.740 96.766 1.00737.35 C ATOM 40451 C6 G 01931 121.936 70.928 97.234 1.00737.35 C ATOM 40452 O6 G 01931 123.058 70.762 96.735 1.00737.35 O ATOM 40453 N1 G 01931 121.598 70.266 98.409 1.00737.35 N ATOM 40454 C2 G 01931 120.390 70.370 99.057 1.00737.35 C ATOM 40455 N2 G 01931 120.255 69.657 100.184 1.00737.35 N ATOM 40456 N3 G 01931 119.387 71.119 98.629 1.00737.35 N ATOM 40457 C4 G 01931 119.696 71.771 97.487 1.00737.35 C ATOM 40458 P G 01932 117.649 77.123 99.560 1.00737.35 P ATOM 40459 O1P G 01932 116.759 78.031 100.330 1.00737.35 O ATOM 40460 O2P G 01932 118.759 77.695 98.758 1.00737.35 O ATOM 40461 O5* G 01932 118.267 76.049 100.563 1.00737.35 O ATOM 40462 C5* G 01932 117.451 75.403 101.541 1.00737.35 C ATOM 40463 C4* G 01932 118.302 74.544 102.450 1.00737.35 C ATOM 40464 O4* G 01932 118.865 73.439 101.695 1.00737.35 O ATOM 40465 C3* G 01932 119.510 75.229 103.069 1.00737.35 C ATOM 40466 O3* G 01932 119.141 75.953 104.238 1.00737.35 O ATOM 40467 C2* G 01932 120.422 74.051 103.395 1.00737.35 C ATOM 40468 O2* G 01932 120.085 73.408 104.609 1.00737.35 O ATOM 40469 C1* G 01932 120.142 73.110 102.218 1.00737.35 C ATOM 40470 N9 G 01932 121.126 73.197 101.140 1.00737.35 N ATOM 40471 C8 G 01932 120.989 73.848 99.936 1.00737.35 C ATOM 40472 N7 G 01932 122.039 73.737 99.170 1.00737.35 N ATOM 40473 C5 G 01932 122.926 72.968 99.909 1.00737.35 C ATOM 40474 C6 G 01932 124.235 72.517 99.595 1.00737.35 C ATOM 40475 O6 G 01932 124.890 72.707 98.561 1.00737.35 O ATOM 40476 N1 G 01932 124.780 71.767 100.633 1.00737.35 N ATOM 40477 C2 G 01932 124.149 71.486 101.822 1.00737.35 C ATOM 40478 N2 G 01932 124.845 70.746 102.699 1.00737.35 N ATOM 40479 N3 G 01932 122.929 71.898 102.125 1.00737.35 N ATOM 40480 C4 G 01932 122.380 72.629 101.130 1.00737.35 C ATOM 40481 P G 01933 119.757 77.415 104.495 1.00737.35 P ATOM 40482 O1P G 01933 119.319 77.875 105.838 1.00737.35 O ATOM 40483 O2P G 01933 119.450 78.246 103.301 1.00737.35 O ATOM 40484 O5* G 01933 121.331 77.171 104.532 1.00737.35 O ATOM 40485 C5* G 01933 121.948 76.506 105.633 1.00737.35 C ATOM 40486 C4* G 01933 123.424 76.318 105.371 1.00737.35 C ATOM 40487 O4* G 01933 123.605 75.403 104.259 1.00737.35 O ATOM 40488 C3* G 01933 124.182 77.570 104.960 1.00737.35 C ATOM 40489 O3* G 01933 124.577 78.325 106.100 1.00737.35 O ATOM 40490 C2* G 01933 125.376 76.990 104.207 1.00737.35 C ATOM 40491 O2* G 01933 126.408 76.540 105.061 1.00737.35 O ATOM 40492 C1* G 01933 124.734 75.796 103.495 1.00737.35 C ATOM 40493 N9 G 01933 124.290 76.093 102.135 1.00737.35 N ATOM 40494 C8 G 01933 123.116 76.699 101.757 1.00737.35 C ATOM 40495 N7 G 01933 122.998 76.830 100.464 1.00737.35 N ATOM 40496 C5 G 01933 124.167 76.279 99.955 1.00737.35 C ATOM 40497 C6 G 01933 124.605 76.136 98.613 1.00737.35 C ATOM 40498 O6 G 01933 124.033 76.480 97.573 1.00737.35 O ATOM 40499 N1 G 01933 125.851 75.521 98.548 1.00737.35 N ATOM 40500 C2 G 01933 126.582 75.096 99.629 1.00737.35 C ATOM 40501 N2 G 01933 127.763 74.523 99.356 1.00737.35 N ATOM 40502 N3 G 01933 126.185 75.224 100.884 1.00737.35 N ATOM 40503 C4 G 01933 124.976 75.819 100.974 1.00737.35 C ATOM 40504 P U 01934 124.456 79.929 106.076 1.00737.35 P ATOM 40505 O1P U 01934 124.713 80.429 107.451 1.00737.35 O ATOM 40506 O2P U 01934 123.181 80.277 105.397 1.00737.35 O ATOM 40507 O5* U 01934 125.655 80.392 105.134 1.00737.35 O ATOM 40508 C5* U 01934 126.995 80.432 105.618 1.00737.35 C ATOM 40509 C4* U 01934 127.939 80.876 104.523 1.00737.35 C ATOM 40510 O4* U 01934 127.949 79.882 103.466 1.00737.35 O ATOM 40511 C3* U 01934 127.575 82.172 103.818 1.00737.35 C ATOM 40512 O3* U 01934 128.041 83.305 104.547 1.00737.35 O ATOM 40513 C2* U 01934 128.297 82.024 102.483 1.00737.35 C ATOM 40514 O2* U 01934 129.671 82.343 102.564 1.00737.35 O ATOM 40515 C1* U 01934 128.125 80.526 102.211 1.00737.35 C ATOM 40516 N1 U 01934 126.967 80.214 101.356 1.00737.35 N ATOM 40517 C2 U 01934 127.183 80.094 99.990 1.00737.35 C ATOM 40518 O2 U 01934 128.282 80.227 99.473 1.00737.35 O ATOM 40519 N3 U 01934 126.061 79.811 99.248 1.00737.35 N ATOM 40520 C4 U 01934 124.776 79.639 99.718 1.00737.35 C ATOM 40521 O4 U 01934 123.870 79.388 98.921 1.00737.35 O ATOM 40522 C5 U 01934 124.634 79.771 101.135 1.00737.35 C ATOM 40523 C6 U 01934 125.703 80.048 101.886 1.00737.35 C ATOM 40524 P A 01935 127.233 84.693 104.468 1.00737.35 P ATOM 40525 O1P A 01935 127.919 85.677 105.342 1.00737.35 O ATOM 40526 O2P A 01935 125.795 84.390 104.692 1.00737.35 O ATOM 40527 O5* A 01935 127.418 85.160 102.954 1.00737.35 O ATOM 40528 C5* A 01935 126.570 86.156 102.383 1.00737.35 C ATOM 40529 C4* A 01935 127.210 86.747 101.147 1.00737.35 C ATOM 40530 O4* A 01935 128.425 87.444 101.520 1.00737.35 O ATOM 40531 C3* A 01935 127.655 85.747 100.091 1.00737.35 C ATOM 40532 O3* A 01935 126.575 85.392 99.235 1.00737.35 O ATOM 40533 C2* A 01935 128.736 86.524 99.348 1.00737.35 C ATOM 40534 O2* A 01935 128.214 87.424 98.391 1.00737.35 O ATOM 40535 C1* A 01935 129.389 87.305 100.490 1.00737.35 C ATOM 40536 N9 A 01935 130.573 86.651 101.048 1.00737.35 N ATOM 40537 C8 A 01935 130.624 85.571 101.898 1.00737.35 C ATOM 40538 N7 A 01935 131.840 85.210 102.225 1.00737.35 N ATOM 40539 C5 A 01935 132.648 86.111 101.547 1.00737.35 C ATOM 40540 C6 A 01935 134.045 86.265 101.479 1.00737.35 C ATOM 40541 N6 A 01935 134.908 85.479 102.128 1.00737.35 N ATOM 40542 N1 A 01935 134.530 87.266 100.712 1.00737.35 N ATOM 40543 C2 A 01935 133.663 88.051 100.062 1.00737.35 C ATOM 40544 N3 A 01935 132.333 88.008 100.047 1.00737.35 N ATOM 40545 C4 A 01935 131.883 87.005 100.818 1.00737.35 C ATOM 40546 P A 01936 126.353 83.852 98.826 1.00737.35 P ATOM 40547 O1P A 01936 125.158 83.775 97.947 1.00737.35 O ATOM 40548 O2P A 01936 126.395 83.049 100.072 1.00737.35 O ATOM 40549 O5* A 01936 127.641 83.490 97.959 1.00737.35 O ATOM 40550 C5* A 01936 127.819 84.027 96.650 1.00737.35 C ATOM 40551 C4* A 01936 129.140 83.573 96.067 1.00737.35 C ATOM 40552 O4* A 01936 130.225 84.090 96.881 1.00737.35 O ATOM 40553 C3* A 01936 129.374 82.069 96.037 1.00737.35 C ATOM 40554 O3* A 01936 128.785 81.489 94.878 1.00737.35 O ATOM 40555 C2* A 01936 130.897 81.982 95.999 1.00737.35 C ATOM 40556 O2* A 01936 131.430 82.153 94.702 1.00737.35 O ATOM 40557 C1* A 01936 131.298 83.162 96.887 1.00737.35 C ATOM 40558 N9 A 01936 131.582 82.791 98.273 1.00737.35 N ATOM 40559 C8 A 01936 130.712 82.294 99.213 1.00737.35 C ATOM 40560 N7 A 01936 131.269 82.050 100.374 1.00737.35 N ATOM 40561 C5 A 01936 132.597 82.410 100.187 1.00737.35 C ATOM 40562 C6 A 01936 133.711 82.389 101.044 1.00737.35 C ATOM 40563 N6 A 01936 133.665 81.975 102.312 1.00737.35 N ATOM 40564 N1 A 01936 134.893 82.816 100.548 1.00737.35 N ATOM 40565 C2 A 01936 134.940 83.231 99.277 1.00737.35 C ATOM 40566 N3 A 01936 133.965 83.298 98.374 1.00737.35 N ATOM 40567 C4 A 01936 132.805 82.867 98.898 1.00737.35 C ATOM 40568 P G 01937 128.144 80.016 94.959 1.00737.35 P ATOM 40569 O1P G 01937 127.605 79.672 93.617 1.00737.35 O ATOM 40570 O2P G 01937 127.241 79.981 96.139 1.00737.35 O ATOM 40571 O5* G 01937 129.385 79.062 95.258 1.00737.35 O ATOM 40572 C5* G 01937 130.508 79.020 94.380 1.00737.35 C ATOM 40573 C4* G 01937 131.414 77.865 94.740 1.00737.35 C ATOM 40574 O4* G 01937 131.879 78.031 96.105 1.00737.35 O ATOM 40575 C3* G 01937 130.765 76.488 94.723 1.00737.35 C ATOM 40576 O3* G 01937 130.790 75.936 93.409 1.00737.35 O ATOM 40577 C2* G 01937 131.642 75.700 95.687 1.00737.35 C ATOM 40578 O2* G 01937 132.829 75.220 95.089 1.00737.35 O ATOM 40579 C1* G 01937 131.982 76.764 96.735 1.00737.35 C ATOM 40580 N9 G 01937 131.098 76.756 97.899 1.00737.35 N ATOM 40581 C8 G 01937 129.838 77.298 97.990 1.00737.35 C ATOM 40582 N7 G 01937 129.293 77.137 99.165 1.00737.35 N ATOM 40583 C5 G 01937 130.249 76.442 99.894 1.00737.35 C ATOM 40584 C6 G 01937 130.225 75.983 101.238 1.00737.35 C ATOM 40585 O6 G 01937 129.324 76.102 102.076 1.00737.35 O ATOM 40586 N1 G 01937 131.403 75.324 101.573 1.00737.35 N ATOM 40587 C2 G 01937 132.469 75.130 100.729 1.00737.35 C ATOM 40588 N2 G 01937 133.517 74.470 101.242 1.00737.35 N ATOM 40589 N3 G 01937 132.503 75.554 99.476 1.00737.35 N ATOM 40590 C4 G 01937 131.369 76.197 99.127 1.00737.35 C ATOM 40591 P U 01938 129.787 74.736 93.023 1.00737.35 P ATOM 40592 O1P U 01938 129.328 74.957 91.626 1.00737.35 O ATOM 40593 O2P U 01938 128.781 74.598 94.108 1.00737.35 O ATOM 40594 O5* U 01938 130.710 73.438 93.048 1.00737.35 O ATOM 40595 C5* U 01938 131.640 73.171 91.997 1.00737.35 C ATOM 40596 C4* U 01938 131.967 71.696 91.956 1.00737.35 C ATOM 40597 O4* U 01938 132.782 71.413 90.786 1.00737.35 O ATOM 40598 C3* U 01938 132.786 71.169 93.122 1.00737.35 C ATOM 40599 O3* U 01938 132.015 71.033 94.331 1.00737.35 O ATOM 40600 C2* U 01938 133.490 69.946 92.534 1.00737.35 C ATOM 40601 O2* U 01938 132.758 68.742 92.508 1.00737.35 O ATOM 40602 C1* U 01938 133.737 70.403 91.093 1.00737.35 C ATOM 40603 N1 U 01938 135.089 70.936 90.854 1.00737.35 N ATOM 40604 C2 U 01938 136.106 70.026 90.590 1.00737.35 C ATOM 40605 O2 U 01938 135.930 68.818 90.555 1.00737.35 O ATOM 40606 N3 U 01938 137.340 70.586 90.371 1.00737.35 N ATOM 40607 C4 U 01938 137.662 71.928 90.386 1.00737.35 C ATOM 40608 O4 U 01938 138.822 72.277 90.161 1.00737.35 O ATOM 40609 C5 U 01938 136.565 72.799 90.670 1.00737.35 C ATOM 40610 C6 U 01938 135.349 72.290 90.887 1.00737.35 C ATOM 40611 P U 01939 130.892 69.882 94.485 1.00737.35 P ATOM 40612 O1P U 01939 130.629 69.194 93.197 1.00737.35 O ATOM 40613 O2P U 01939 129.763 70.540 95.194 1.00737.35 O ATOM 40614 O5* U 01939 131.525 68.847 95.519 1.00737.35 O ATOM 40615 C5* U 01939 132.768 68.197 95.260 1.00737.35 C ATOM 40616 C4* U 01939 133.532 68.001 96.548 1.00737.35 C ATOM 40617 O4* U 01939 133.893 69.298 97.092 1.00737.35 O ATOM 40618 C3* U 01939 132.757 67.324 97.669 1.00737.35 C ATOM 40619 O3* U 01939 132.816 65.905 97.553 1.00737.35 O ATOM 40620 C2* U 01939 133.481 67.825 98.913 1.00737.35 C ATOM 40621 O2* U 01939 134.672 67.112 99.190 1.00737.35 O ATOM 40622 C1* U 01939 133.818 69.263 98.509 1.00737.35 C ATOM 40623 N1 U 01939 132.820 70.251 98.951 1.00737.35 N ATOM 40624 C2 U 01939 132.987 70.822 100.205 1.00737.35 C ATOM 40625 O2 U 01939 133.917 70.548 100.946 1.00737.35 O ATOM 40626 N3 U 01939 132.018 71.731 100.560 1.00737.35 N ATOM 40627 C4 U 01939 130.928 72.121 99.812 1.00737.35 C ATOM 40628 O4 U 01939 130.142 72.950 100.273 1.00737.35 O ATOM 40629 C5 U 01939 130.826 71.490 98.531 1.00737.35 C ATOM 40630 C6 U 01939 131.749 70.600 98.154 1.00737.35 C ATOM 40631 P C 01940 131.466 65.040 97.681 1.00737.35 P ATOM 40632 O1P C 01940 131.843 63.610 97.827 1.00737.35 O ATOM 40633 O2P C 01940 130.570 65.451 96.571 1.00737.35 O ATOM 40634 O5* C 01940 130.818 65.534 99.048 1.00737.35 O ATOM 40635 C5* C 01940 131.437 65.250 100.302 1.00737.35 C ATOM 40636 C4* C 01940 130.611 65.812 101.436 1.00737.35 C ATOM 40637 O4* C 01940 130.605 67.261 101.364 1.00737.35 O ATOM 40638 C3* C 01940 129.138 65.430 101.433 1.00737.35 C ATOM 40639 O3* C 01940 128.941 64.153 102.033 1.00737.35 O ATOM 40640 C2* C 01940 128.512 66.553 102.248 1.00737.35 C ATOM 40641 O2* C 01940 128.643 66.366 103.643 1.00737.35 O ATOM 40642 C1* C 01940 129.350 67.755 101.806 1.00737.35 C ATOM 40643 N1 C 01940 128.735 68.541 100.715 1.00737.35 N ATOM 40644 C2 C 01940 127.823 69.561 101.041 1.00737.35 C ATOM 40645 O2 C 01940 127.552 69.775 102.234 1.00737.35 O ATOM 40646 N3 C 01940 127.262 70.286 100.045 1.00737.35 N ATOM 40647 C4 C 01940 127.572 70.026 98.774 1.00737.35 C ATOM 40648 N4 C 01940 126.991 70.770 97.827 1.00737.35 N ATOM 40649 C5 C 01940 128.490 68.999 98.414 1.00737.35 C ATOM 40650 C6 C 01940 129.042 68.287 99.405 1.00737.35 C ATOM 40651 P C 01941 127.760 63.199 101.506 1.00737.35 P ATOM 40652 O1P C 01941 127.909 61.877 102.165 1.00737.35 O ATOM 40653 O2P C 01941 127.737 63.279 100.022 1.00737.35 O ATOM 40654 O5* C 01941 126.433 63.891 102.054 1.00737.35 O ATOM 40655 C5* C 01941 126.133 63.895 103.450 1.00737.35 C ATOM 40656 C4* C 01941 124.895 64.723 103.719 1.00737.35 C ATOM 40657 O4* C 01941 125.155 66.106 103.366 1.00737.35 O ATOM 40658 C3* C 01941 123.658 64.354 102.913 1.00737.35 C ATOM 40659 O3* C 01941 122.952 63.278 103.522 1.00737.35 O ATOM 40660 C2* C 01941 122.857 65.651 102.941 1.00737.35 C ATOM 40661 O2* C 01941 122.126 65.826 104.139 1.00737.35 O ATOM 40662 C1* C 01941 123.972 66.698 102.858 1.00737.35 C ATOM 40663 N1 C 01941 124.230 67.182 101.484 1.00737.35 N ATOM 40664 C2 C 01941 123.445 68.231 100.976 1.00737.35 C ATOM 40665 O2 C 01941 122.553 68.723 101.690 1.00737.35 O ATOM 40666 N3 C 01941 123.678 68.681 99.723 1.00737.35 N ATOM 40667 C4 C 01941 124.638 68.129 98.981 1.00737.35 C ATOM 40668 N4 C 01941 124.827 68.604 97.747 1.00737.35 N ATOM 40669 C5 C 01941 125.449 67.061 99.468 1.00737.35 C ATOM 40670 C6 C 01941 125.211 66.623 100.713 1.00737.35 C ATOM 40671 P G 01942 122.038 62.310 102.622 1.00737.35 P ATOM 40672 O1P G 01942 121.574 61.186 103.475 1.00737.35 O ATOM 40673 O2P G 01942 122.783 62.018 101.369 1.00737.35 O ATOM 40674 O5* G 01942 120.778 63.210 102.242 1.00737.35 O ATOM 40675 C5* G 01942 119.778 63.519 103.213 1.00737.35 C ATOM 40676 C4* G 01942 118.663 64.323 102.582 1.00737.35 C ATOM 40677 O4* G 01942 119.180 65.607 102.147 1.00737.35 O ATOM 40678 C3* G 01942 118.037 63.719 101.335 1.00737.35 C ATOM 40679 O3* G 01942 117.021 62.780 101.678 1.00737.35 O ATOM 40680 C2* G 01942 117.471 64.947 100.630 1.00737.35 C ATOM 40681 O2* G 01942 116.220 65.359 101.147 1.00737.35 O ATOM 40682 C1* G 01942 118.535 66.002 100.947 1.00737.35 C ATOM 40683 N9 G 01942 119.547 66.158 99.906 1.00737.35 N ATOM 40684 C8 G 01942 120.808 65.608 99.885 1.00737.35 C ATOM 40685 N7 G 01942 121.491 65.937 98.823 1.00737.35 N ATOM 40686 C5 G 01942 120.633 66.752 98.096 1.00737.35 C ATOM 40687 C6 G 01942 120.822 67.411 96.855 1.00737.35 C ATOM 40688 O6 G 01942 121.820 67.409 96.125 1.00737.35 O ATOM 40689 N1 G 01942 119.693 68.131 96.480 1.00737.35 N ATOM 40690 C2 G 01942 118.530 68.209 97.206 1.00737.35 C ATOM 40691 N2 G 01942 117.552 68.956 96.672 1.00737.35 N ATOM 40692 N3 G 01942 118.341 67.603 98.367 1.00737.35 N ATOM 40693 C4 G 01942 119.427 66.895 98.749 1.00737.35 C ATOM 40694 P A 01943 116.585 61.652 100.618 1.00737.35 P ATOM 40695 O1P A 01943 115.608 60.750 101.280 1.00737.35 O ATOM 40696 O2P A 01943 117.823 61.082 100.028 1.00737.35 O ATOM 40697 O5* A 01943 115.816 62.470 99.487 1.00737.35 O ATOM 40698 C5* A 01943 115.651 61.938 98.175 1.00737.35 C ATOM 40699 C4* A 01943 115.103 63.001 97.251 1.00737.35 C ATOM 40700 O4* A 01943 115.942 64.181 97.337 1.00737.35 O ATOM 40701 C3* A 01943 115.091 62.651 95.770 1.00737.35 C ATOM 40702 O3* A 01943 113.921 61.917 95.421 1.00737.35 O ATOM 40703 C2* A 01943 115.115 64.025 95.115 1.00737.35 C ATOM 40704 O2* A 01943 113.842 64.640 95.064 1.00737.35 O ATOM 40705 C1* A 01943 116.027 64.803 96.066 1.00737.35 C ATOM 40706 N9 A 01943 117.431 64.824 95.649 1.00737.35 N ATOM 40707 C8 A 01943 118.470 64.038 96.092 1.00737.35 C ATOM 40708 N7 A 01943 119.619 64.308 95.521 1.00737.35 N ATOM 40709 C5 A 01943 119.319 65.340 94.642 1.00737.35 C ATOM 40710 C6 A 01943 120.109 66.077 93.737 1.00737.35 C ATOM 40711 N6 A 01943 121.422 65.885 93.559 1.00737.35 N ATOM 40712 N1 A 01943 119.495 67.036 93.011 1.00737.35 N ATOM 40713 C2 A 01943 118.185 67.236 93.186 1.00737.35 C ATOM 40714 N3 A 01943 117.339 66.614 94.001 1.00737.35 N ATOM 40715 C4 A 01943 117.976 65.666 94.709 1.00737.35 C ATOM 40716 P C 01944 113.931 60.970 94.120 1.00737.35 P ATOM 40717 O1P C 01944 112.624 60.266 94.053 1.00737.35 O ATOM 40718 O2P C 01944 115.187 60.176 94.151 1.00737.35 O ATOM 40719 O5* C 01944 114.021 61.985 92.895 1.00737.35 O ATOM 40720 C5* C 01944 112.912 62.816 92.546 1.00737.35 C ATOM 40721 C4* C 01944 113.112 63.418 91.172 1.00737.35 C ATOM 40722 O4* C 01944 114.261 64.307 91.192 1.00737.35 O ATOM 40723 C3* C 01944 113.419 62.433 90.053 1.00737.35 C ATOM 40724 O3* C 01944 112.226 61.865 89.516 1.00737.35 O ATOM 40725 C2* C 01944 114.127 63.318 89.034 1.00737.35 C ATOM 40726 O2* C 01944 113.235 64.085 88.252 1.00737.35 O ATOM 40727 C1* C 01944 114.942 64.238 89.946 1.00737.35 C ATOM 40728 N1 C 01944 116.318 63.753 90.182 1.00737.35 N ATOM 40729 C2 C 01944 117.305 63.983 89.202 1.00737.35 C ATOM 40730 O2 C 01944 117.003 64.597 88.160 1.00737.35 O ATOM 40731 N3 C 01944 118.561 63.533 89.417 1.00737.35 N ATOM 40732 C4 C 01944 118.858 62.884 90.544 1.00737.35 C ATOM 40733 N4 C 01944 120.114 62.464 90.711 1.00737.35 N ATOM 40734 C5 C 01944 117.882 62.640 91.553 1.00737.35 C ATOM 40735 C6 C 01944 116.640 63.087 91.335 1.00737.35 C ATOM 40736 P C 01945 112.163 60.289 89.200 1.00737.35 P ATOM 40737 O1P C 01945 110.975 60.037 88.344 1.00737.35 O ATOM 40738 O2P C 01945 112.300 59.570 90.491 1.00737.35 O ATOM 40739 O5* C 01945 113.471 60.006 88.336 1.00737.35 O ATOM 40740 C5* C 01945 113.705 60.690 87.107 1.00737.35 C ATOM 40741 C4* C 01945 115.160 60.576 86.711 1.00737.35 C ATOM 40742 O4* C 01945 115.986 61.151 87.756 1.00737.35 O ATOM 40743 C3* C 01945 115.691 59.163 86.530 1.00737.35 C ATOM 40744 O3* C 01945 115.404 58.708 85.208 1.00737.35 O ATOM 40745 C2* C 01945 117.187 59.334 86.783 1.00737.35 C ATOM 40746 O2* C 01945 117.901 59.778 85.650 1.00737.35 O ATOM 40747 C1* C 01945 117.200 60.425 87.860 1.00737.35 C ATOM 40748 N1 C 01945 117.341 59.920 89.241 1.00737.35 N ATOM 40749 C2 C 01945 118.626 59.609 89.720 1.00737.35 C ATOM 40750 O2 C 01945 119.606 59.748 88.969 1.00737.35 O ATOM 40751 N3 C 01945 118.764 59.161 90.990 1.00737.35 N ATOM 40752 C4 C 01945 117.691 59.020 91.772 1.00737.35 C ATOM 40753 N4 C 01945 117.879 58.585 93.019 1.00737.35 N ATOM 40754 C5 C 01945 116.377 59.322 91.309 1.00737.35 C ATOM 40755 C6 C 01945 116.251 59.762 90.050 1.00737.35 C ATOM 40756 P U 01946 115.873 57.242 84.733 1.00737.35 P ATOM 40757 O1P U 01946 114.834 56.714 83.812 1.00737.35 O ATOM 40758 O2P U 01946 116.259 56.455 85.933 1.00737.35 O ATOM 40759 O5* U 01946 117.194 57.529 83.888 1.00737.35 O ATOM 40760 C5* U 01946 117.637 56.625 82.877 1.00737.35 C ATOM 40761 C4* U 01946 118.854 57.182 82.172 1.00737.35 C ATOM 40762 O4* U 01946 118.509 58.433 81.523 1.00737.35 O ATOM 40763 C3* U 01946 120.022 57.534 83.081 1.00737.35 C ATOM 40764 O3* U 01946 120.826 56.379 83.303 1.00737.35 O ATOM 40765 C2* U 01946 120.769 58.583 82.264 1.00737.35 C ATOM 40766 O2* U 01946 121.626 58.022 81.291 1.00737.35 O ATOM 40767 C1* U 01946 119.617 59.318 81.569 1.00737.35 C ATOM 40768 N1 U 01946 119.198 60.575 82.218 1.00737.35 N ATOM 40769 C2 U 01946 120.072 61.656 82.171 1.00737.35 C ATOM 40770 O2 U 01946 121.166 61.607 81.631 1.00737.35 O ATOM 40771 N3 U 01946 119.614 62.795 82.784 1.00737.35 N ATOM 40772 C4 U 01946 118.407 62.969 83.424 1.00737.35 C ATOM 40773 O4 U 01946 118.138 64.064 83.921 1.00737.35 O ATOM 40774 C5 U 01946 117.563 61.814 83.433 1.00737.35 C ATOM 40775 C6 U 01946 117.976 60.685 82.847 1.00737.35 C ATOM 40776 P G 01947 120.653 55.529 84.658 1.00737.35 P ATOM 40777 O1P G 01947 121.132 54.155 84.375 1.00737.35 O ATOM 40778 O2P G 01947 119.278 55.728 85.181 1.00737.35 O ATOM 40779 O5* G 01947 121.661 56.209 85.689 1.00737.35 O ATOM 40780 C5* G 01947 123.022 56.470 85.342 1.00737.35 C ATOM 40781 C4* G 01947 123.937 55.487 86.035 1.00737.35 C ATOM 40782 O4* G 01947 123.561 55.408 87.440 1.00737.35 O ATOM 40783 C3* G 01947 123.840 54.052 85.540 1.00737.35 C ATOM 40784 O3* G 01947 124.684 53.840 84.410 1.00737.35 O ATOM 40785 C2* G 01947 124.288 53.261 86.761 1.00737.35 C ATOM 40786 O2* G 01947 125.692 53.257 86.938 1.00737.35 O ATOM 40787 C1* G 01947 123.632 54.062 87.886 1.00737.35 C ATOM 40788 N9 G 01947 122.273 53.614 88.191 1.00737.35 N ATOM 40789 C8 G 01947 121.149 53.812 87.423 1.00737.35 C ATOM 40790 N7 G 01947 120.073 53.294 87.946 1.00737.35 N ATOM 40791 C5 G 01947 120.506 52.718 89.131 1.00737.35 C ATOM 40792 C6 G 01947 119.782 52.010 90.119 1.00737.35 C ATOM 40793 O6 G 01947 118.577 51.740 90.144 1.00737.35 O ATOM 40794 N1 G 01947 120.608 51.600 91.161 1.00737.35 N ATOM 40795 C2 G 01947 121.958 51.840 91.240 1.00737.35 C ATOM 40796 N2 G 01947 122.577 51.363 92.330 1.00737.35 N ATOM 40797 N3 G 01947 122.648 52.500 90.323 1.00737.35 N ATOM 40798 C4 G 01947 121.862 52.907 89.301 1.00737.35 C ATOM 40799 P C 01948 124.050 53.305 83.030 1.00737.35 P ATOM 40800 O1P C 01948 123.058 54.316 82.580 1.00737.35 O ATOM 40801 O2P C 01948 123.621 51.896 83.229 1.00737.35 O ATOM 40802 O5* C 01948 125.261 53.316 81.997 1.00737.35 O ATOM 40803 C5* C 01948 125.017 53.346 80.590 1.00737.35 C ATOM 40804 C4* C 01948 126.316 53.299 79.819 1.00737.35 C ATOM 40805 O4* C 01948 127.139 54.434 80.192 1.00737.35 O ATOM 40806 C3* C 01948 127.208 52.090 80.068 1.00737.35 C ATOM 40807 O3* C 01948 126.797 50.997 79.252 1.00737.35 O ATOM 40808 C2* C 01948 128.582 52.616 79.663 1.00737.35 C ATOM 40809 O2* C 01948 128.799 52.585 78.267 1.00737.35 O ATOM 40810 C1* C 01948 128.509 54.067 80.145 1.00737.35 C ATOM 40811 N1 C 01948 129.107 54.282 81.480 1.00737.35 N ATOM 40812 C2 C 01948 130.481 54.567 81.569 1.00737.35 C ATOM 40813 O2 C 01948 131.159 54.625 80.530 1.00737.35 O ATOM 40814 N3 C 01948 131.033 54.768 82.788 1.00737.35 N ATOM 40815 C4 C 01948 130.277 54.696 83.885 1.00737.35 C ATOM 40816 N4 C 01948 130.867 54.903 85.065 1.00737.35 N ATOM 40817 C5 C 01948 128.883 54.408 83.823 1.00737.35 C ATOM 40818 C6 C 01948 128.344 54.211 82.614 1.00737.35 C ATOM 40819 P A 01949 127.282 49.503 79.604 1.00737.35 P ATOM 40820 O1P A 01949 128.754 49.456 79.404 1.00737.35 O ATOM 40821 O2P A 01949 126.413 48.552 78.866 1.00737.35 O ATOM 40822 O5* A 01949 126.992 49.349 81.163 1.00737.35 O ATOM 40823 C5* A 01949 126.820 48.064 81.756 1.00737.35 C ATOM 40824 C4* A 01949 127.682 47.932 82.991 1.00737.35 C ATOM 40825 O4* A 01949 129.080 47.994 82.609 1.00737.35 O ATOM 40826 C3* A 01949 127.520 49.031 84.031 1.00737.35 C ATOM 40827 O3* A 01949 126.443 48.727 84.915 1.00737.35 O ATOM 40828 C2* A 01949 128.859 48.998 84.759 1.00737.35 C ATOM 40829 O2* A 01949 128.919 48.002 85.760 1.00737.35 O ATOM 40830 C1* A 01949 129.824 48.648 83.622 1.00737.35 C ATOM 40831 N9 A 01949 130.499 49.803 83.029 1.00737.35 N ATOM 40832 C8 A 01949 130.059 50.610 82.010 1.00737.35 C ATOM 40833 N7 A 01949 130.899 51.563 81.689 1.00737.35 N ATOM 40834 C5 A 01949 131.966 51.373 82.556 1.00737.35 C ATOM 40835 C6 A 01949 133.182 52.058 82.722 1.00737.35 C ATOM 40836 N6 A 01949 133.544 53.116 81.995 1.00737.35 N ATOM 40837 N1 A 01949 134.027 51.612 83.679 1.00737.35 N ATOM 40838 C2 A 01949 133.665 50.552 84.410 1.00737.35 C ATOM 40839 N3 A 01949 132.552 49.826 84.347 1.00737.35 N ATOM 40840 C4 A 01949 131.733 50.292 83.388 1.00737.35 C ATOM 40841 P C 01950 125.576 49.917 85.562 1.00737.35 P ATOM 40842 O1P C 01950 124.196 49.794 85.026 1.00737.35 O ATOM 40843 O2P C 01950 126.311 51.197 85.401 1.00737.35 O ATOM 40844 O5* C 01950 125.530 49.560 87.115 1.00737.35 O ATOM 40845 C5* C 01950 125.194 48.246 87.555 1.00737.35 C ATOM 40846 C4* C 01950 125.171 48.187 89.065 1.00737.35 C ATOM 40847 O4* C 01950 124.199 49.143 89.568 1.00737.35 O ATOM 40848 C3* C 01950 124.729 46.855 89.653 1.00737.35 C ATOM 40849 O3* C 01950 125.827 45.952 89.752 1.00737.35 O ATOM 40850 C2* C 01950 124.201 47.262 91.022 1.00737.35 C ATOM 40851 O2* C 01950 125.222 47.443 91.982 1.00737.35 O ATOM 40852 C1* C 01950 123.540 48.607 90.705 1.00737.35 C ATOM 40853 N1 C 01950 122.095 48.501 90.412 1.00737.35 N ATOM 40854 C2 C 01950 121.183 48.429 91.481 1.00737.35 C ATOM 40855 O2 C 01950 121.613 48.449 92.647 1.00737.35 O ATOM 40856 N3 C 01950 119.861 48.337 91.214 1.00737.35 N ATOM 40857 C4 C 01950 119.433 48.314 89.950 1.00737.35 C ATOM 40858 N4 C 01950 118.119 48.223 89.735 1.00737.35 N ATOM 40859 C5 C 01950 120.333 48.382 88.848 1.00737.35 C ATOM 40860 C6 C 01950 121.641 48.475 89.119 1.00737.35 C ATOM 40861 P G 01951 125.589 44.377 89.520 1.00737.35 P ATOM 40862 O1P G 01951 126.896 43.700 89.715 1.00737.35 O ATOM 40863 O2P G 01951 124.854 44.195 88.241 1.00737.35 O ATOM 40864 O5* G 01951 124.622 43.952 90.714 1.00737.35 O ATOM 40865 C5* G 01951 125.057 44.022 92.071 1.00737.35 C ATOM 40866 C4* G 01951 123.880 43.868 93.008 1.00737.35 C ATOM 40867 O4* G 01951 122.952 44.964 92.793 1.00737.35 O ATOM 40868 C3* G 01951 123.043 42.613 92.820 1.00737.35 C ATOM 40869 O3* G 01951 123.607 41.519 93.539 1.00737.35 O ATOM 40870 C2* G 01951 121.691 43.037 93.382 1.00737.35 C ATOM 40871 O2* G 01951 121.630 42.976 94.794 1.00737.35 O ATOM 40872 C1* G 01951 121.618 44.495 92.923 1.00737.35 C ATOM 40873 N9 G 01951 120.940 44.677 91.639 1.00737.35 N ATOM 40874 C8 G 01951 121.526 44.930 90.420 1.00737.35 C ATOM 40875 N7 G 01951 120.660 45.049 89.451 1.00737.35 N ATOM 40876 C5 G 01951 119.429 44.864 90.064 1.00737.35 C ATOM 40877 C6 G 01951 118.120 44.880 89.517 1.00737.35 C ATOM 40878 O6 G 01951 117.774 45.073 88.346 1.00737.35 O ATOM 40879 N1 G 01951 117.157 44.644 90.492 1.00737.35 N ATOM 40880 C2 G 01951 117.415 44.421 91.822 1.00737.35 C ATOM 40881 N2 G 01951 116.347 44.211 92.603 1.00737.35 N ATOM 40882 N3 G 01951 118.630 44.404 92.345 1.00737.35 N ATOM 40883 C4 G 01951 119.584 44.631 91.414 1.00737.35 C ATOM 40884 P A 01952 123.072 40.023 93.281 1.00737.35 P ATOM 40885 O1P A 01952 124.110 39.093 93.794 1.00737.35 O ATOM 40886 O2P A 01952 122.618 39.909 91.871 1.00737.35 O ATOM 40887 O5* A 01952 121.794 39.910 94.228 1.00737.35 O ATOM 40888 C5* A 01952 121.209 38.645 94.523 1.00737.35 C ATOM 40889 C4* A 01952 120.691 38.630 95.944 1.00737.35 C ATOM 40890 O4* A 01952 119.720 39.692 96.113 1.00737.35 O ATOM 40891 C3* A 01952 119.948 37.371 96.361 1.00737.35 C ATOM 40892 O3* A 01952 120.875 36.388 96.814 1.00737.35 O ATOM 40893 C2* A 01952 119.085 37.874 97.516 1.00737.35 C ATOM 40894 O2* A 01952 119.787 37.930 98.742 1.00737.35 O ATOM 40895 C1* A 01952 118.744 39.295 97.057 1.00737.35 C ATOM 40896 N9 A 01952 117.420 39.428 96.446 1.00737.35 N ATOM 40897 C8 A 01952 116.993 38.974 95.222 1.00737.35 C ATOM 40898 N7 A 01952 115.740 39.253 94.962 1.00737.35 N ATOM 40899 C5 A 01952 115.310 39.941 96.089 1.00737.35 C ATOM 40900 C6 A 01952 114.074 40.513 96.435 1.00737.35 C ATOM 40901 N6 A 01952 112.995 40.480 95.650 1.00737.35 N ATOM 40902 N1 A 01952 113.980 41.128 97.633 1.00737.35 N ATOM 40903 C2 A 01952 115.060 41.160 98.422 1.00737.35 C ATOM 40904 N3 A 01952 116.274 40.661 98.210 1.00737.35 N ATOM 40905 C4 A 01952 116.335 40.056 97.012 1.00737.35 C ATOM 40906 P A 01953 120.944 34.950 96.095 1.00737.35 P ATOM 40907 O1P A 01953 120.524 35.091 94.675 1.00737.35 O ATOM 40908 O2P A 01953 120.240 33.982 96.975 1.00737.35 O ATOM 40909 O5* A 01953 122.498 34.600 96.122 1.00737.35 O ATOM 40910 C5* A 01953 123.443 35.460 95.489 1.00737.35 C ATOM 40911 C4* A 01953 124.270 36.189 96.525 1.00737.35 C ATOM 40912 O4* A 01953 123.375 36.781 97.502 1.00737.35 O ATOM 40913 C3* A 01953 125.218 35.338 97.359 1.00737.35 C ATOM 40914 O3* A 01953 126.460 35.170 96.675 1.00737.35 O ATOM 40915 C2* A 01953 125.391 36.186 98.616 1.00737.35 C ATOM 40916 O2* A 01953 126.327 37.230 98.460 1.00737.35 O ATOM 40917 C1* A 01953 123.995 36.787 98.777 1.00737.35 C ATOM 40918 N9 A 01953 123.141 36.069 99.727 1.00737.35 N ATOM 40919 C8 A 01953 122.072 35.245 99.471 1.00737.35 C ATOM 40920 N7 A 01953 121.509 34.757 100.549 1.00737.35 N ATOM 40921 C5 A 01953 122.259 35.292 101.588 1.00737.35 C ATOM 40922 C6 A 01953 122.171 35.159 102.986 1.00737.35 C ATOM 40923 N6 A 01953 121.250 34.419 103.604 1.00737.35 N ATOM 40924 N1 A 01953 123.076 35.824 103.739 1.00737.35 N ATOM 40925 C2 A 01953 124.000 36.568 103.118 1.00737.35 C ATOM 40926 N3 A 01953 124.184 36.773 101.818 1.00737.35 N ATOM 40927 C4 A 01953 123.269 36.100 101.097 1.00737.35 C ATOM 40928 P A 01954 127.582 34.178 97.268 1.00737.35 P ATOM 40929 O1P A 01954 127.759 33.061 96.305 1.00737.35 O ATOM 40930 O2P A 01954 127.252 33.875 98.686 1.00737.35 O ATOM 40931 O5* A 01954 128.916 35.053 97.255 1.00737.35 O ATOM 40932 C5* A 01954 128.885 36.445 97.570 1.00737.35 C ATOM 40933 C4* A 01954 130.227 37.083 97.285 1.00737.35 C ATOM 40934 O4* A 01954 130.633 36.753 95.931 1.00737.35 O ATOM 40935 C3* A 01954 130.251 38.605 97.331 1.00737.35 C ATOM 40936 O3* A 01954 130.444 39.077 98.663 1.00737.35 O ATOM 40937 C2* A 01954 131.438 38.935 96.431 1.00737.35 C ATOM 40938 O2* A 01954 132.684 38.817 97.089 1.00737.35 O ATOM 40939 C1* A 01954 131.317 37.854 95.355 1.00737.35 C ATOM 40940 N9 A 01954 130.577 38.284 94.167 1.00737.35 N ATOM 40941 C8 A 01954 129.214 38.336 93.990 1.00737.35 C ATOM 40942 N7 A 01954 128.851 38.765 92.807 1.00737.35 N ATOM 40943 C5 A 01954 130.052 39.016 92.159 1.00737.35 C ATOM 40944 C6 A 01954 130.350 39.489 90.869 1.00737.35 C ATOM 40945 N6 A 01954 129.422 39.811 89.965 1.00737.35 N ATOM 40946 N1 A 01954 131.652 39.625 90.535 1.00737.35 N ATOM 40947 C2 A 01954 132.583 39.303 91.442 1.00737.35 C ATOM 40948 N3 A 01954 132.428 38.848 92.683 1.00737.35 N ATOM 40949 C4 A 01954 131.124 38.724 92.983 1.00737.35 C ATOM 40950 P G 01955 130.120 40.614 99.029 1.00737.35 P ATOM 40951 O1P G 01955 130.702 41.484 97.973 1.00737.35 O ATOM 40952 O2P G 01955 130.517 40.819 100.444 1.00737.35 O ATOM 40953 O5* G 01955 128.532 40.723 98.937 1.00737.35 O ATOM 40954 C5* G 01955 127.691 40.064 99.882 1.00737.35 C ATOM 40955 C4* G 01955 126.261 40.061 99.395 1.00737.35 C ATOM 40956 O4* G 01955 125.464 39.186 100.235 1.00737.35 O ATOM 40957 C3* G 01955 125.517 41.386 99.448 1.00737.35 C ATOM 40958 O3* G 01955 125.827 42.202 98.318 1.00737.35 O ATOM 40959 C2* G 01955 124.057 40.935 99.427 1.00737.35 C ATOM 40960 O2* G 01955 123.580 40.661 98.125 1.00737.35 O ATOM 40961 C1* G 01955 124.118 39.629 100.224 1.00737.35 C ATOM 40962 N9 G 01955 123.626 39.718 101.598 1.00737.35 N ATOM 40963 C8 G 01955 124.348 39.996 102.735 1.00737.35 C ATOM 40964 N7 G 01955 123.620 39.989 103.820 1.00737.35 N ATOM 40965 C5 G 01955 122.339 39.690 103.373 1.00737.35 C ATOM 40966 C6 G 01955 121.118 39.542 104.090 1.00737.35 C ATOM 40967 O6 G 01955 120.919 39.642 105.311 1.00737.35 O ATOM 40968 N1 G 01955 120.060 39.241 103.241 1.00737.35 N ATOM 40969 C2 G 01955 120.152 39.102 101.878 1.00737.35 C ATOM 40970 N2 G 01955 119.013 38.817 101.233 1.00737.35 N ATOM 40971 N3 G 01955 121.279 39.230 101.199 1.00737.35 N ATOM 40972 C4 G 01955 122.325 39.524 102.002 1.00737.35 C ATOM 40973 P G 01956 125.888 43.807 98.472 1.00737.35 P ATOM 40974 O1P G 01956 126.998 44.303 97.620 1.00737.35 O ATOM 40975 O2P G 01956 125.875 44.139 99.921 1.00737.35 O ATOM 40976 O5* G 01956 124.517 44.325 97.840 1.00737.35 O ATOM 40977 C5* G 01956 123.297 43.624 98.069 1.00737.35 C ATOM 40978 C4* G 01956 122.125 44.576 98.083 1.00737.35 C ATOM 40979 O4* G 01956 120.915 43.798 98.321 1.00737.35 O ATOM 40980 C3* G 01956 122.142 45.617 99.192 1.00737.35 C ATOM 40981 O3* G 01956 122.840 46.794 98.791 1.00737.35 O ATOM 40982 C2* G 01956 120.658 45.876 99.419 1.00737.35 C ATOM 40983 O2* G 01956 120.087 46.730 98.449 1.00737.35 O ATOM 40984 C1* G 01956 120.093 44.463 99.266 1.00737.35 C ATOM 40985 N9 G 01956 120.133 43.703 100.512 1.00737.35 N ATOM 40986 C8 G 01956 121.163 42.915 100.965 1.00737.35 C ATOM 40987 N7 G 01956 120.923 42.367 102.123 1.00737.35 N ATOM 40988 C5 G 01956 119.655 42.817 102.459 1.00737.35 C ATOM 40989 C6 G 01956 118.867 42.556 103.606 1.00737.35 C ATOM 40990 O6 G 01956 119.145 41.855 104.586 1.00737.35 O ATOM 40991 N1 G 01956 117.641 43.210 103.546 1.00737.35 N ATOM 40992 C2 G 01956 117.226 44.013 102.512 1.00737.35 C ATOM 40993 N2 G 01956 116.004 44.554 102.643 1.00737.35 N ATOM 40994 N3 G 01956 117.953 44.268 101.436 1.00737.35 N ATOM 40995 C4 G 01956 119.149 43.641 101.475 1.00737.35 C ATOM 40996 P C 01957 123.477 47.765 99.903 1.00737.35 P ATOM 40997 O1P C 01957 124.143 48.895 99.204 1.00737.35 O ATOM 40998 O2P C 01957 124.258 46.923 100.845 1.00737.35 O ATOM 40999 O5* C 01957 122.211 48.337 100.689 1.00737.35 O ATOM 41000 C5* C 01957 121.226 49.120 100.018 1.00737.35 C ATOM 41001 C4* C 01957 120.001 49.291 100.891 1.00737.35 C ATOM 41002 O4* C 01957 119.444 47.985 101.197 1.00737.35 O ATOM 41003 C3* C 01957 120.237 49.923 102.255 1.00737.35 C ATOM 41004 O3* C 01957 120.244 51.345 102.162 1.00737.35 O ATOM 41005 C2* C 01957 119.047 49.412 103.055 1.00737.35 C ATOM 41006 O2* C 01957 117.855 50.133 102.807 1.00737.35 O ATOM 41007 C1* C 01957 118.905 47.988 102.512 1.00737.35 C ATOM 41008 N1 C 01957 119.617 46.977 103.323 1.00737.35 N ATOM 41009 C2 C 01957 118.989 46.459 104.471 1.00737.35 C ATOM 41010 O2 C 01957 117.852 46.862 104.776 1.00737.35 O ATOM 41011 N3 C 01957 119.637 45.535 105.218 1.00737.35 N ATOM 41012 C4 C 01957 120.858 45.127 104.861 1.00737.35 C ATOM 41013 N4 C 01957 121.458 44.214 105.630 1.00737.35 N ATOM 41014 C5 C 01957 121.518 45.633 103.706 1.00737.35 C ATOM 41015 C6 C 01957 120.868 46.546 102.974 1.00737.35 C ATOM 41016 P G 01958 120.996 52.216 103.286 1.00737.35 P ATOM 41017 O1P G 01958 120.870 53.651 102.920 1.00737.35 O ATOM 41018 O2P G 01958 122.343 51.627 103.489 1.00737.35 O ATOM 41019 O5* G 01958 120.143 51.960 104.607 1.00737.35 O ATOM 41020 C5* G 01958 118.772 52.350 104.684 1.00737.35 C ATOM 41021 C4* G 01958 118.168 51.901 105.993 1.00737.35 C ATOM 41022 O4* G 01958 118.193 50.450 106.069 1.00737.35 O ATOM 41023 C3* G 01958 118.898 52.355 107.247 1.00737.35 C ATOM 41024 O3* G 01958 118.496 53.671 107.616 1.00737.35 O ATOM 41025 C2* G 01958 118.459 51.315 108.272 1.00737.35 C ATOM 41026 O2* G 01958 117.184 51.579 108.821 1.00737.35 O ATOM 41027 C1* G 01958 118.397 50.047 107.414 1.00737.35 C ATOM 41028 N9 G 01958 119.608 49.229 107.480 1.00737.35 N ATOM 41029 C8 G 01958 120.581 49.100 106.515 1.00737.35 C ATOM 41030 N7 G 01958 121.540 48.287 106.860 1.00737.35 N ATOM 41031 C5 G 01958 121.183 47.849 108.128 1.00737.35 C ATOM 41032 C6 G 01958 121.841 46.949 109.007 1.00737.35 C ATOM 41033 O6 G 01958 122.900 46.334 108.834 1.00737.35 O ATOM 41034 N1 G 01958 121.134 46.789 110.195 1.00737.35 N ATOM 41035 C2 G 01958 119.950 47.411 110.501 1.00737.35 C ATOM 41036 N2 G 01958 119.424 47.126 111.704 1.00737.35 N ATOM 41037 N3 G 01958 119.326 48.250 109.690 1.00737.35 N ATOM 41038 C4 G 01958 119.996 48.423 108.529 1.00737.35 C ATOM 41039 P U 01959 119.521 54.629 108.401 1.00737.35 P ATOM 41040 O1P U 01959 118.848 55.930 108.642 1.00737.35 O ATOM 41041 O2P U 01959 120.817 54.595 107.674 1.00737.35 O ATOM 41042 O5* U 01959 119.726 53.902 109.806 1.00737.35 O ATOM 41043 C5* U 01959 118.625 53.687 110.686 1.00737.35 C ATOM 41044 C4* U 01959 119.027 52.770 111.817 1.00737.35 C ATOM 41045 O4* U 01959 119.388 51.470 111.277 1.00737.35 O ATOM 41046 C3* U 01959 120.250 53.200 112.610 1.00737.35 C ATOM 41047 O3* U 01959 119.892 54.137 113.621 1.00737.35 O ATOM 41048 C2* U 01959 120.739 51.882 113.193 1.00737.35 C ATOM 41049 O2* U 01959 120.025 51.482 114.345 1.00737.35 O ATOM 41050 C1* U 01959 120.448 50.914 112.042 1.00737.35 C ATOM 41051 N1 U 01959 121.602 50.687 111.153 1.00737.35 N ATOM 41052 C2 U 01959 122.492 49.677 111.493 1.00737.35 C ATOM 41053 O2 U 01959 122.360 48.974 112.484 1.00737.35 O ATOM 41054 N3 U 01959 123.544 49.519 110.625 1.00737.35 N ATOM 41055 C4 U 01959 123.798 50.245 109.480 1.00737.35 C ATOM 41056 O4 U 01959 124.791 49.978 108.803 1.00737.35 O ATOM 41057 C5 U 01959 122.837 51.266 109.198 1.00737.35 C ATOM 41058 C6 U 01959 121.799 51.449 110.020 1.00737.35 C ATOM 41059 P A 01960 120.994 55.162 114.192 1.00737.35 P ATOM 41060 O1P A 01960 120.352 56.497 114.327 1.00737.35 O ATOM 41061 O2P A 01960 122.232 55.024 113.379 1.00737.35 O ATOM 41062 O5* A 01960 121.309 54.606 115.649 1.00737.35 O ATOM 41063 C5* A 01960 120.382 54.785 116.719 1.00737.35 C ATOM 41064 C4* A 01960 120.845 54.029 117.945 1.00737.35 C ATOM 41065 O4* A 01960 120.773 52.601 117.692 1.00737.35 O ATOM 41066 C3* A 01960 122.287 54.270 118.357 1.00737.35 C ATOM 41067 O3* A 01960 122.399 55.446 119.147 1.00737.35 O ATOM 41068 C2* A 01960 122.615 53.007 119.146 1.00737.35 C ATOM 41069 O2* A 01960 122.155 53.045 120.482 1.00737.35 O ATOM 41070 C1* A 01960 121.837 51.945 118.362 1.00737.35 C ATOM 41071 N9 A 01960 122.643 51.236 117.368 1.00737.35 N ATOM 41072 C8 A 01960 122.903 51.601 116.069 1.00737.35 C ATOM 41073 N7 A 01960 123.661 50.749 115.422 1.00737.35 N ATOM 41074 C5 A 01960 123.922 49.757 116.357 1.00737.35 C ATOM 41075 C6 A 01960 124.670 48.568 116.294 1.00737.35 C ATOM 41076 N6 A 01960 125.319 48.160 115.199 1.00737.35 N ATOM 41077 N1 A 01960 124.730 47.803 117.404 1.00737.35 N ATOM 41078 C2 A 01960 124.078 48.212 118.497 1.00737.35 C ATOM 41079 N3 A 01960 123.342 49.304 118.682 1.00737.35 N ATOM 41080 C4 A 01960 123.302 50.044 117.561 1.00737.35 C ATOM 41081 P A 01961 123.657 56.428 118.947 1.00737.35 P ATOM 41082 O1P A 01961 123.444 57.632 119.789 1.00737.35 O ATOM 41083 O2P A 01961 123.880 56.585 117.486 1.00737.35 O ATOM 41084 O5* A 01961 124.884 55.602 119.545 1.00737.35 O ATOM 41085 C5* A 01961 124.982 55.350 120.945 1.00737.35 C ATOM 41086 C4* A 01961 126.054 54.321 121.219 1.00737.35 C ATOM 41087 O4* A 01961 125.669 53.055 120.618 1.00737.35 O ATOM 41088 C3* A 01961 127.424 54.616 120.628 1.00737.35 C ATOM 41089 O3* A 01961 128.175 55.482 121.476 1.00737.35 O ATOM 41090 C2* A 01961 128.039 53.226 120.538 1.00737.35 C ATOM 41091 O2* A 01961 128.560 52.765 121.770 1.00737.35 O ATOM 41092 C1* A 01961 126.825 52.384 120.141 1.00737.35 C ATOM 41093 N9 A 01961 126.695 52.207 118.692 1.00737.35 N ATOM 41094 C8 A 01961 125.977 52.977 117.806 1.00737.35 C ATOM 41095 N7 A 01961 126.059 52.569 116.564 1.00737.35 N ATOM 41096 C5 A 01961 126.886 51.454 116.635 1.00737.35 C ATOM 41097 C6 A 01961 127.363 50.568 115.651 1.00737.35 C ATOM 41098 N6 A 01961 127.065 50.671 114.354 1.00737.35 N ATOM 41099 N1 A 01961 128.168 49.561 116.053 1.00737.35 N ATOM 41100 C2 A 01961 128.466 49.461 117.353 1.00737.35 C ATOM 41101 N3 A 01961 128.081 50.228 118.369 1.00737.35 N ATOM 41102 C4 A 01961 127.283 51.219 117.938 1.00737.35 C ATOM 41103 P C 01962 129.306 56.435 120.839 1.00737.35 P ATOM 41104 O1P C 01962 129.871 57.271 121.930 1.00737.35 O ATOM 41105 O2P C 01962 128.722 57.091 119.642 1.00737.35 O ATOM 41106 O5* C 01962 130.434 55.423 120.349 1.00737.35 O ATOM 41107 C5* C 01962 131.129 54.595 121.279 1.00737.35 C ATOM 41108 C4* C 01962 131.870 53.494 120.557 1.00737.35 C ATOM 41109 O4* C 01962 130.922 52.676 119.822 1.00737.35 O ATOM 41110 C3* C 01962 132.870 53.934 119.498 1.00737.35 C ATOM 41111 O3* C 01962 134.122 54.280 120.087 1.00737.35 O ATOM 41112 C2* C 01962 132.976 52.690 118.626 1.00737.35 C ATOM 41113 O2* C 01962 133.825 51.698 119.168 1.00737.35 O ATOM 41114 C1* C 01962 131.531 52.186 118.637 1.00737.35 C ATOM 41115 N1 C 01962 130.743 52.628 117.468 1.00737.35 N ATOM 41116 C2 C 01962 130.833 51.888 116.276 1.00737.35 C ATOM 41117 O2 C 01962 131.565 50.885 116.240 1.00737.35 O ATOM 41118 N3 C 01962 130.119 52.286 115.197 1.00737.35 N ATOM 41119 C4 C 01962 129.345 53.370 115.271 1.00737.35 C ATOM 41120 N4 C 01962 128.663 53.722 114.176 1.00737.35 N ATOM 41121 C5 C 01962 129.235 54.141 116.465 1.00737.35 C ATOM 41122 C6 C 01962 129.943 53.737 117.529 1.00737.35 C ATOM 41123 P G 01963 135.156 55.213 119.277 1.00737.35 P ATOM 41124 O1P G 01963 136.294 55.528 120.179 1.00737.35 O ATOM 41125 O2P G 01963 134.379 56.321 118.662 1.00737.35 O ATOM 41126 O5* G 01963 135.688 54.275 118.106 1.00737.35 O ATOM 41127 C5* G 01963 136.370 53.056 118.398 1.00737.35 C ATOM 41128 C4* G 01963 136.536 52.227 117.145 1.00737.35 C ATOM 41129 O4* G 01963 135.227 51.920 116.593 1.00737.35 O ATOM 41130 C3* G 01963 137.273 52.894 115.995 1.00737.35 C ATOM 41131 O3* G 01963 138.683 52.773 116.155 1.00737.35 O ATOM 41132 C2* G 01963 136.770 52.104 114.790 1.00737.35 C ATOM 41133 O2* G 01963 137.440 50.871 114.614 1.00737.35 O ATOM 41134 C1* G 01963 135.313 51.851 115.177 1.00737.35 C ATOM 41135 N9 G 01963 134.374 52.813 114.599 1.00737.35 N ATOM 41136 C8 G 01963 133.598 53.730 115.267 1.00737.35 C ATOM 41137 N7 G 01963 132.848 54.444 114.472 1.00737.35 N ATOM 41138 C5 G 01963 133.147 53.973 113.200 1.00737.35 C ATOM 41139 C6 G 01963 132.642 54.365 111.930 1.00737.35 C ATOM 41140 O6 G 01963 131.797 55.230 111.669 1.00737.35 O ATOM 41141 N1 G 01963 133.221 53.627 110.903 1.00737.35 N ATOM 41142 C2 G 01963 134.161 52.642 111.068 1.00737.35 C ATOM 41143 N2 G 01963 134.601 52.047 109.949 1.00737.35 N ATOM 41144 N3 G 01963 134.639 52.267 112.246 1.00737.35 N ATOM 41145 C4 G 01963 134.089 52.970 113.260 1.00737.35 C ATOM 41146 P A 01964 139.672 53.625 115.213 1.00737.35 P ATOM 41147 O1P A 01964 138.865 54.631 114.475 1.00737.35 O ATOM 41148 O2P A 01964 140.512 52.662 114.454 1.00737.35 O ATOM 41149 O5* A 01964 140.618 54.394 116.238 1.00737.35 O ATOM 41150 C5* A 01964 140.091 55.328 117.183 1.00737.35 C ATOM 41151 C4* A 01964 141.165 56.305 117.594 1.00737.35 C ATOM 41152 O4* A 01964 142.270 55.555 118.165 1.00737.35 O ATOM 41153 C3* A 01964 141.779 57.104 116.451 1.00737.35 C ATOM 41154 O3* A 01964 141.057 58.319 116.241 1.00737.35 O ATOM 41155 C2* A 01964 143.187 57.388 116.963 1.00737.35 C ATOM 41156 O2* A 01964 143.247 58.499 117.836 1.00737.35 O ATOM 41157 C1* A 01964 143.499 56.107 117.740 1.00737.35 C ATOM 41158 N9 A 01964 144.213 55.083 116.973 1.00737.35 N ATOM 41159 C8 A 01964 143.865 54.528 115.762 1.00737.35 C ATOM 41160 N7 A 01964 144.711 53.624 115.335 1.00737.35 N ATOM 41161 C5 A 01964 145.681 53.576 116.326 1.00737.35 C ATOM 41162 C6 A 01964 146.853 52.811 116.466 1.00737.35 C ATOM 41163 N6 A 01964 147.262 51.908 115.573 1.00737.35 N ATOM 41164 N1 A 01964 147.600 53.009 117.575 1.00737.35 N ATOM 41165 C2 A 01964 147.189 53.913 118.472 1.00737.35 C ATOM 41166 N3 A 01964 146.111 54.692 118.452 1.00737.35 N ATOM 41167 C4 A 01964 145.390 54.472 117.339 1.00737.35 C ATOM 41168 P U 01965 139.902 58.396 115.119 1.00737.35 P ATOM 41169 O1P U 01965 139.167 59.668 115.329 1.00737.35 O ATOM 41170 O2P U 01965 139.158 57.115 115.130 1.00737.35 O ATOM 41171 O5* U 01965 140.673 58.511 113.728 1.00737.35 O ATOM 41172 C5* U 01965 141.636 57.537 113.324 1.00737.35 C ATOM 41173 C4* U 01965 141.203 56.866 112.039 1.00737.35 C ATOM 41174 O4* U 01965 140.057 56.011 112.294 1.00737.35 O ATOM 41175 C3* U 01965 140.734 57.784 110.920 1.00737.35 C ATOM 41176 O3* U 01965 141.827 58.320 110.180 1.00737.35 O ATOM 41177 C2* U 01965 139.882 56.845 110.073 1.00737.35 C ATOM 41178 O2* U 01965 140.646 56.035 109.200 1.00737.35 O ATOM 41179 C1* U 01965 139.224 55.973 111.145 1.00737.35 C ATOM 41180 N1 U 01965 137.873 56.425 111.523 1.00737.35 N ATOM 41181 C2 U 01965 136.797 55.890 110.829 1.00737.35 C ATOM 41182 O2 U 01965 136.918 55.073 109.931 1.00737.35 O ATOM 41183 N3 U 01965 135.566 56.354 111.226 1.00737.35 N ATOM 41184 C4 U 01965 135.304 57.274 112.221 1.00737.35 C ATOM 41185 O4 U 01965 134.136 57.588 112.463 1.00737.35 O ATOM 41186 C5 U 01965 136.465 57.779 112.887 1.00737.35 C ATOM 41187 C6 U 01965 137.676 57.350 112.526 1.00737.35 C ATOM 41188 P C 01966 141.667 59.738 109.443 1.00737.35 P ATOM 41189 O1P C 01966 142.953 60.054 108.770 1.00737.35 O ATOM 41190 O2P C 01966 141.101 60.695 110.427 1.00737.35 O ATOM 41191 O5* C 01966 140.558 59.470 108.326 1.00737.35 O ATOM 41192 C5* C 01966 140.905 58.874 107.077 1.00737.35 C ATOM 41193 C4* C 01966 139.788 59.052 106.075 1.00737.35 C ATOM 41194 O4* C 01966 138.643 58.245 106.456 1.00737.35 O ATOM 41195 C3* C 01966 139.218 60.456 105.947 1.00737.35 C ATOM 41196 O3* C 01966 140.030 61.274 105.112 1.00737.35 O ATOM 41197 C2* C 01966 137.848 60.192 105.331 1.00737.35 C ATOM 41198 O2* C 01966 137.895 59.998 103.931 1.00737.35 O ATOM 41199 C1* C 01966 137.449 58.883 106.022 1.00737.35 C ATOM 41200 N1 C 01966 136.552 59.072 107.182 1.00737.35 N ATOM 41201 C2 C 01966 135.169 59.183 106.958 1.00737.35 C ATOM 41202 O2 C 01966 134.734 59.118 105.795 1.00737.35 O ATOM 41203 N3 C 01966 134.341 59.356 108.013 1.00737.35 N ATOM 41204 C4 C 01966 134.840 59.425 109.248 1.00737.35 C ATOM 41205 N4 C 01966 133.983 59.599 110.257 1.00737.35 N ATOM 41206 C5 C 01966 136.238 59.316 109.506 1.00737.35 C ATOM 41207 C6 C 01966 137.051 59.143 108.455 1.00737.35 C ATOM 41208 P U 01967 140.053 62.866 105.337 1.00737.35 P ATOM 41209 O1P U 01967 141.065 63.447 104.417 1.00737.35 O ATOM 41210 O2P U 01967 140.161 63.114 106.798 1.00737.35 O ATOM 41211 O5* U 01967 138.607 63.339 104.863 1.00737.35 O ATOM 41212 C5* U 01967 138.260 63.351 103.479 1.00737.35 C ATOM 41213 C4* U 01967 136.852 63.868 103.291 1.00737.35 C ATOM 41214 O4* U 01967 135.903 62.928 103.859 1.00737.35 O ATOM 41215 C3* U 01967 136.519 65.180 103.978 1.00737.35 C ATOM 41216 O3* U 01967 136.972 66.296 103.217 1.00737.35 O ATOM 41217 C2* U 01967 134.998 65.120 104.060 1.00737.35 C ATOM 41218 O2* U 01967 134.361 65.489 102.852 1.00737.35 O ATOM 41219 C1* U 01967 134.767 63.632 104.337 1.00737.35 C ATOM 41220 N1 U 01967 134.576 63.324 105.765 1.00737.35 N ATOM 41221 C2 U 01967 133.288 63.406 106.278 1.00737.35 C ATOM 41222 O2 U 01967 132.320 63.712 105.600 1.00737.35 O ATOM 41223 N3 U 01967 133.176 63.116 107.615 1.00737.35 N ATOM 41224 C4 U 01967 134.190 62.761 108.478 1.00737.35 C ATOM 41225 O4 U 01967 133.928 62.539 109.661 1.00737.35 O ATOM 41226 C5 U 01967 135.490 62.696 107.879 1.00737.35 C ATOM 41227 C6 U 01967 135.635 62.972 106.577 1.00737.35 C ATOM 41228 P G 01968 137.221 67.709 103.946 1.00737.35 P ATOM 41229 O1P G 01968 137.858 68.627 102.966 1.00737.35 O ATOM 41230 O2P G 01968 137.892 67.443 105.244 1.00737.35 O ATOM 41231 O5* G 01968 135.749 68.242 104.252 1.00737.35 O ATOM 41232 C5* G 01968 134.873 68.611 103.190 1.00737.35 C ATOM 41233 C4* G 01968 133.530 69.042 103.733 1.00737.35 C ATOM 41234 O4* G 01968 132.876 67.914 104.372 1.00737.35 O ATOM 41235 C3* G 01968 133.551 70.111 104.813 1.00737.35 C ATOM 41236 O3* G 01968 133.673 71.413 104.252 1.00737.35 O ATOM 41237 C2* G 01968 132.201 69.905 105.491 1.00737.35 C ATOM 41238 O2* G 01968 131.130 70.502 104.787 1.00737.35 O ATOM 41239 C1* G 01968 132.066 68.379 105.441 1.00737.35 C ATOM 41240 N9 G 01968 132.492 67.722 106.675 1.00737.35 N ATOM 41241 C8 G 01968 133.732 67.201 106.961 1.00737.35 C ATOM 41242 N7 G 01968 133.807 66.685 108.158 1.00737.35 N ATOM 41243 C5 G 01968 132.541 66.875 108.694 1.00737.35 C ATOM 41244 C6 G 01968 132.019 66.523 109.968 1.00737.35 C ATOM 41245 O6 G 01968 132.591 65.954 110.907 1.00737.35 O ATOM 41246 N1 G 01968 130.687 66.901 110.096 1.00737.35 N ATOM 41247 C2 G 01968 129.950 67.535 109.128 1.00737.35 C ATOM 41248 N2 G 01968 128.677 67.818 109.443 1.00737.35 N ATOM 41249 N3 G 01968 130.423 67.869 107.941 1.00737.35 N ATOM 41250 C4 G 01968 131.717 67.512 107.793 1.00737.35 C ATOM 41251 P G 01969 134.238 72.621 105.151 1.00737.35 P ATOM 41252 O1P G 01969 134.394 73.799 104.259 1.00737.35 O ATOM 41253 O2P G 01969 135.411 72.129 105.924 1.00737.35 O ATOM 41254 O5* G 01969 133.054 72.922 106.175 1.00737.35 O ATOM 41255 C5* G 01969 131.787 73.382 105.708 1.00737.35 C ATOM 41256 C4* G 01969 130.793 73.449 106.846 1.00737.35 C ATOM 41257 O4* G 01969 130.564 72.118 107.375 1.00737.35 O ATOM 41258 C3* G 01969 131.215 74.256 108.065 1.00737.35 C ATOM 41259 O3* G 01969 130.985 75.648 107.861 1.00737.35 O ATOM 41260 C2* G 01969 130.316 73.682 109.154 1.00737.35 C ATOM 41261 O2* G 01969 129.008 74.220 109.135 1.00737.35 O ATOM 41262 C1* G 01969 130.271 72.203 108.761 1.00737.35 C ATOM 41263 N9 G 01969 131.225 71.377 109.499 1.00737.35 N ATOM 41264 C8 G 01969 132.473 70.974 109.092 1.00737.35 C ATOM 41265 N7 G 01969 133.091 70.240 109.978 1.00737.35 N ATOM 41266 C5 G 01969 132.196 70.154 111.038 1.00737.35 C ATOM 41267 C6 G 01969 132.312 69.488 112.290 1.00737.35 C ATOM 41268 O6 G 01969 133.257 68.821 112.725 1.00737.35 O ATOM 41269 N1 G 01969 131.170 69.659 113.064 1.00737.35 N ATOM 41270 C2 G 01969 130.059 70.376 112.690 1.00737.35 C ATOM 41271 N2 G 01969 129.058 70.425 113.580 1.00737.35 N ATOM 41272 N3 G 01969 129.940 71.000 111.530 1.00737.35 N ATOM 41273 C4 G 01969 131.038 70.849 110.758 1.00737.35 C ATOM 41274 P G 01970 131.793 76.726 108.739 1.00737.35 P ATOM 41275 O1P G 01970 131.484 78.068 108.183 1.00737.35 O ATOM 41276 O2P G 01970 133.209 76.285 108.848 1.00737.35 O ATOM 41277 O5* G 01970 131.128 76.620 110.182 1.00737.35 O ATOM 41278 C5* G 01970 129.754 76.951 110.380 1.00737.35 C ATOM 41279 C4* G 01970 129.335 76.645 111.800 1.00737.35 C ATOM 41280 O4* G 01970 129.439 75.218 112.043 1.00737.35 O ATOM 41281 C3* G 01970 130.183 77.270 112.896 1.00737.35 C ATOM 41282 O3* G 01970 129.783 78.613 113.146 1.00737.35 O ATOM 41283 C2* G 01970 129.895 76.355 114.082 1.00737.35 C ATOM 41284 O2* G 01970 128.679 76.660 114.736 1.00737.35 O ATOM 41285 C1* G 01970 129.784 74.990 113.399 1.00737.35 C ATOM 41286 N9 G 01970 131.019 74.206 113.446 1.00737.35 N ATOM 41287 C8 G 01970 132.003 74.143 112.489 1.00737.35 C ATOM 41288 N7 G 01970 132.991 73.355 112.819 1.00737.35 N ATOM 41289 C5 G 01970 132.635 72.863 114.069 1.00737.35 C ATOM 41290 C6 G 01970 133.314 71.960 114.930 1.00737.35 C ATOM 41291 O6 G 01970 134.400 71.394 114.755 1.00737.35 O ATOM 41292 N1 G 01970 132.599 71.737 116.103 1.00737.35 N ATOM 41293 C2 G 01970 131.388 72.308 116.409 1.00737.35 C ATOM 41294 N2 G 01970 130.858 71.968 117.593 1.00737.35 N ATOM 41295 N3 G 01970 130.746 73.150 115.616 1.00737.35 N ATOM 41296 C4 G 01970 131.423 73.381 114.472 1.00737.35 C ATOM 41297 P C 01971 130.816 79.641 113.831 1.00737.35 P ATOM 41298 O1P C 01971 130.224 80.999 113.716 1.00737.35 O ATOM 41299 O2P C 01971 132.175 79.387 113.284 1.00737.35 O ATOM 41300 O5* C 01971 130.812 79.226 115.367 1.00737.35 O ATOM 41301 C5* C 01971 129.637 79.378 116.163 1.00737.35 C ATOM 41302 C4* C 01971 129.796 78.659 117.483 1.00737.35 C ATOM 41303 O4* C 01971 129.985 77.243 117.237 1.00737.35 O ATOM 41304 C3* C 01971 131.007 79.057 118.315 1.00737.35 C ATOM 41305 O3* C 01971 130.735 80.221 119.090 1.00737.35 O ATOM 41306 C2* C 01971 131.215 77.826 119.187 1.00737.35 C ATOM 41307 O2* C 01971 130.346 77.779 120.301 1.00737.35 O ATOM 41308 C1* C 01971 130.867 76.699 118.209 1.00737.35 C ATOM 41309 N1 C 01971 132.044 76.130 117.520 1.00737.35 N ATOM 41310 C2 C 01971 132.712 75.043 118.109 1.00737.35 C ATOM 41311 O2 C 01971 132.296 74.585 119.187 1.00737.35 O ATOM 41312 N3 C 01971 133.793 74.517 117.487 1.00737.35 N ATOM 41313 C4 C 01971 134.215 75.031 116.329 1.00737.35 C ATOM 41314 N4 C 01971 135.286 74.481 115.756 1.00737.35 N ATOM 41315 C5 C 01971 133.556 76.133 115.710 1.00737.35 C ATOM 41316 C6 C 01971 132.485 76.646 116.332 1.00737.35 C ATOM 41317 P G 01972 131.917 81.267 119.401 1.00737.35 P ATOM 41318 O1P G 01972 131.293 82.457 120.038 1.00737.35 O ATOM 41319 O2P G 01972 132.736 81.442 118.174 1.00737.35 O ATOM 41320 O5* G 01972 132.812 80.527 120.492 1.00737.35 O ATOM 41321 C5* G 01972 132.386 80.438 121.852 1.00737.35 C ATOM 41322 C4* G 01972 133.332 79.565 122.643 1.00737.35 C ATOM 41323 O4* G 01972 133.299 78.214 122.111 1.00737.35 O ATOM 41324 C3* G 01972 134.804 79.952 122.584 1.00737.35 C ATOM 41325 O3* G 01972 135.114 80.970 123.532 1.00737.35 O ATOM 41326 C2* G 01972 135.493 78.637 122.922 1.00737.35 C ATOM 41327 O2* G 01972 135.520 78.362 124.308 1.00737.35 O ATOM 41328 C1* G 01972 134.590 77.628 122.209 1.00737.35 C ATOM 41329 N9 G 01972 135.052 77.290 120.866 1.00737.35 N ATOM 41330 C8 G 01972 134.499 77.682 119.669 1.00737.35 C ATOM 41331 N7 G 01972 135.144 77.220 118.632 1.00737.35 N ATOM 41332 C5 G 01972 136.185 76.480 119.174 1.00737.35 C ATOM 41333 C6 G 01972 137.218 75.744 118.538 1.00737.35 C ATOM 41334 O6 G 01972 137.425 75.593 117.331 1.00737.35 O ATOM 41335 N1 G 01972 138.063 75.147 119.465 1.00737.35 N ATOM 41336 C2 G 01972 137.934 75.240 120.828 1.00737.35 C ATOM 41337 N2 G 01972 138.852 74.589 121.555 1.00737.35 N ATOM 41338 N3 G 01972 136.976 75.921 121.434 1.00737.35 N ATOM 41339 C4 G 01972 136.142 76.512 120.552 1.00737.35 C ATOM 41340 P C 01973 136.279 82.030 123.209 1.00737.35 P ATOM 41341 O1P C 01973 136.480 82.853 124.431 1.00737.35 O ATOM 41342 O2P C 01973 135.961 82.699 121.923 1.00737.35 O ATOM 41343 O5* C 01973 137.576 81.130 122.996 1.00737.35 O ATOM 41344 C5* C 01973 138.137 80.383 124.072 1.00737.35 C ATOM 41345 C4* C 01973 139.301 79.551 123.585 1.00737.35 C ATOM 41346 O4* C 01973 138.826 78.559 122.637 1.00737.35 O ATOM 41347 C3* C 01973 140.384 80.308 122.832 1.00737.35 C ATOM 41348 O3* C 01973 141.310 80.894 123.745 1.00737.35 O ATOM 41349 C2* C 01973 141.018 79.214 121.979 1.00737.35 C ATOM 41350 O2* C 01973 141.968 78.440 122.688 1.00737.35 O ATOM 41351 C1* C 01973 139.805 78.350 121.630 1.00737.35 C ATOM 41352 N1 C 01973 139.200 78.646 120.314 1.00737.35 N ATOM 41353 C2 C 01973 139.734 78.032 119.165 1.00737.35 C ATOM 41354 O2 C 01973 140.712 77.269 119.278 1.00737.35 O ATOM 41355 N3 C 01973 139.172 78.287 117.961 1.00737.35 N ATOM 41356 C4 C 01973 138.128 79.111 117.870 1.00737.35 C ATOM 41357 N4 C 01973 137.599 79.317 116.661 1.00737.35 N ATOM 41358 C5 C 01973 137.572 79.754 119.015 1.00737.35 C ATOM 41359 C6 C 01973 138.134 79.498 120.203 1.00737.35 C ATOM 41360 P U 01974 142.382 81.975 123.221 1.00737.35 P ATOM 41361 O1P U 01974 142.832 82.755 124.400 1.00737.35 O ATOM 41362 O2P U 01974 141.808 82.686 122.046 1.00737.35 O ATOM 41363 O5* U 01974 143.605 81.084 122.727 1.00737.35 O ATOM 41364 C5* U 01974 144.560 81.594 121.799 1.00737.35 C ATOM 41365 C4* U 01974 145.256 80.455 121.092 1.00737.35 C ATOM 41366 O4* U 01974 144.260 79.534 120.580 1.00737.35 O ATOM 41367 C3* U 01974 146.077 80.859 119.875 1.00737.35 C ATOM 41368 O3* U 01974 147.397 81.247 120.248 1.00737.35 O ATOM 41369 C2* U 01974 146.068 79.583 119.043 1.00737.35 C ATOM 41370 O2* U 01974 147.022 78.631 119.474 1.00737.35 O ATOM 41371 C1* U 01974 144.653 79.058 119.303 1.00737.35 C ATOM 41372 N1 U 01974 143.663 79.509 118.312 1.00737.35 N ATOM 41373 C2 U 01974 143.511 78.759 117.155 1.00737.35 C ATOM 41374 O2 U 01974 144.161 77.753 116.920 1.00737.35 O ATOM 41375 N3 U 01974 142.566 79.233 116.277 1.00737.35 N ATOM 41376 C4 U 01974 141.776 80.354 116.431 1.00737.35 C ATOM 41377 O4 U 01974 140.961 80.645 115.554 1.00737.35 O ATOM 41378 C5 U 01974 141.992 81.075 117.645 1.00737.35 C ATOM 41379 C6 U 01974 142.904 80.643 118.521 1.00737.35 C ATOM 41380 P G 01975 147.992 82.654 119.738 1.00737.35 P ATOM 41381 O1P G 01975 149.133 82.983 120.632 1.00737.35 O ATOM 41382 O2P G 01975 146.877 83.623 119.591 1.00737.35 O ATOM 41383 O5* G 01975 148.584 82.343 118.289 1.00737.35 O ATOM 41384 C5* G 01975 147.801 81.681 117.296 1.00737.35 C ATOM 41385 C4* G 01975 148.299 82.023 115.909 1.00737.35 C ATOM 41386 O4* G 01975 148.103 83.437 115.657 1.00737.35 O ATOM 41387 C3* G 01975 149.777 81.782 115.642 1.00737.35 C ATOM 41388 O3* G 01975 149.997 80.416 115.292 1.00737.35 O ATOM 41389 C2* G 01975 150.055 82.734 114.481 1.00737.35 C ATOM 41390 O2* G 01975 149.685 82.206 113.224 1.00737.35 O ATOM 41391 C1* G 01975 149.147 83.920 114.828 1.00737.35 C ATOM 41392 N9 G 01975 149.826 85.013 115.520 1.00737.35 N ATOM 41393 C8 G 01975 149.739 85.331 116.855 1.00737.35 C ATOM 41394 N7 G 01975 150.455 86.371 117.183 1.00737.35 N ATOM 41395 C5 G 01975 151.055 86.764 115.993 1.00737.35 C ATOM 41396 C6 G 01975 151.946 87.836 115.725 1.00737.35 C ATOM 41397 O6 G 01975 152.396 88.681 116.509 1.00737.35 O ATOM 41398 N1 G 01975 152.307 87.872 114.383 1.00737.35 N ATOM 41399 C2 G 01975 151.872 86.994 113.422 1.00737.35 C ATOM 41400 N2 G 01975 152.336 87.199 112.181 1.00737.35 N ATOM 41401 N3 G 01975 151.044 85.990 113.660 1.00737.35 N ATOM 41402 C4 G 01975 150.678 85.936 114.957 1.00737.35 C ATOM 41403 P U 01976 151.490 79.889 114.992 1.00737.35 P ATOM 41404 O1P U 01976 151.498 78.432 115.285 1.00737.35 O ATOM 41405 O2P U 01976 152.468 80.778 115.671 1.00737.35 O ATOM 41406 O5* U 01976 151.647 80.081 113.416 1.00737.35 O ATOM 41407 C5* U 01976 152.538 79.264 112.661 1.00737.35 C ATOM 41408 C4* U 01976 151.896 78.858 111.354 1.00737.35 C ATOM 41409 O4* U 01976 150.685 78.104 111.635 1.00737.35 O ATOM 41410 C3* U 01976 151.434 80.001 110.459 1.00737.35 C ATOM 41411 O3* U 01976 152.495 80.459 109.628 1.00737.35 O ATOM 41412 C2* U 01976 150.335 79.340 109.635 1.00737.35 C ATOM 41413 O2* U 01976 150.835 78.578 108.553 1.00737.35 O ATOM 41414 C1* U 01976 149.691 78.413 110.668 1.00737.35 C ATOM 41415 N1 U 01976 148.527 79.002 111.353 1.00737.35 N ATOM 41416 C2 U 01976 147.362 79.189 110.614 1.00737.35 C ATOM 41417 O2 U 01976 147.263 78.886 109.438 1.00737.35 O ATOM 41418 N3 U 01976 146.320 79.748 111.312 1.00737.35 N ATOM 41419 C4 U 01976 146.312 80.126 112.637 1.00737.35 C ATOM 41420 O4 U 01976 145.288 80.613 113.121 1.00737.35 O ATOM 41421 C5 U 01976 147.541 79.900 113.331 1.00737.35 C ATOM 41422 C6 U 01976 148.580 79.361 112.684 1.00737.35 C ATOM 41423 P C 01977 152.605 82.021 109.257 1.00737.35 P ATOM 41424 O1P C 01977 153.640 82.150 108.200 1.00737.35 O ATOM 41425 O2P C 01977 152.745 82.794 110.520 1.00737.35 O ATOM 41426 O5* C 01977 151.191 82.381 108.609 1.00737.35 O ATOM 41427 C5* C 01977 150.689 81.660 107.486 1.00737.35 C ATOM 41428 C4* C 01977 149.371 82.243 107.033 1.00737.35 C ATOM 41429 O4* C 01977 148.433 82.222 108.145 1.00737.35 O ATOM 41430 C3* C 01977 149.412 83.700 106.602 1.00737.35 C ATOM 41431 O3* C 01977 149.787 83.801 105.231 1.00737.35 O ATOM 41432 C2* C 01977 147.975 84.154 106.833 1.00737.35 C ATOM 41433 O2* C 01977 147.100 83.784 105.785 1.00737.35 O ATOM 41434 C1* C 01977 147.612 83.377 108.104 1.00737.35 C ATOM 41435 N1 C 01977 147.808 84.145 109.353 1.00737.35 N ATOM 41436 C2 C 01977 146.763 84.960 109.825 1.00737.35 C ATOM 41437 O2 C 01977 145.701 85.020 109.184 1.00737.35 O ATOM 41438 N3 C 01977 146.941 85.662 110.967 1.00737.35 N ATOM 41439 C4 C 01977 148.094 85.577 111.634 1.00737.35 C ATOM 41440 N4 C 01977 148.220 86.283 112.759 1.00737.35 N ATOM 41441 C5 C 01977 149.170 84.760 111.178 1.00737.35 C ATOM 41442 C6 C 01977 148.987 84.070 110.046 1.00737.35 C ATOM 41443 P U 01978 150.667 85.052 104.734 1.00737.35 P ATOM 41444 O1P U 01978 150.902 84.875 103.277 1.00737.35 O ATOM 41445 O2P U 01978 151.827 85.204 105.650 1.00737.35 O ATOM 41446 O5* U 01978 149.699 86.303 104.924 1.00737.35 O ATOM 41447 C5* U 01978 150.217 87.629 104.989 1.00737.35 C ATOM 41448 C4* U 01978 149.094 88.616 105.203 1.00737.35 C ATOM 41449 O4* U 01978 148.300 88.200 106.345 1.00737.35 O ATOM 41450 C3* U 01978 149.532 90.033 105.534 1.00737.35 C ATOM 41451 O3* U 01978 149.791 90.777 104.345 1.00737.35 O ATOM 41452 C2* U 01978 148.326 90.578 106.292 1.00737.35 C ATOM 41453 O2* U 01978 147.285 91.016 105.443 1.00737.35 O ATOM 41454 C1* U 01978 147.870 89.339 107.071 1.00737.35 C ATOM 41455 N1 U 01978 148.409 89.255 108.440 1.00737.35 N ATOM 41456 C2 U 01978 147.702 89.880 109.457 1.00737.35 C ATOM 41457 O2 U 01978 146.661 90.493 109.268 1.00737.35 O ATOM 41458 N3 U 01978 148.259 89.759 110.708 1.00737.35 N ATOM 41459 C4 U 01978 149.421 89.096 111.041 1.00737.35 C ATOM 41460 O4 U 01978 149.793 89.077 112.215 1.00737.35 O ATOM 41461 C5 U 01978 150.094 88.480 109.939 1.00737.35 C ATOM 41462 C6 U 01978 149.581 88.578 108.710 1.00737.35 C ATOM 41463 P C 01979 150.832 92.006 104.376 1.00737.35 P ATOM 41464 O1P C 01979 150.829 92.579 105.747 1.00737.35 O ATOM 41465 O2P C 01979 150.526 92.882 103.217 1.00737.35 O ATOM 41466 O5* C 01979 152.257 91.334 104.121 1.00737.35 O ATOM 41467 C5* C 01979 152.748 90.300 104.969 1.00737.35 C ATOM 41468 C4* C 01979 154.019 90.744 105.653 1.00737.35 C ATOM 41469 O4* C 01979 153.756 91.964 106.398 1.00737.35 O ATOM 41470 C3* C 01979 154.570 89.772 106.688 1.00737.35 C ATOM 41471 O3* C 01979 155.425 88.805 106.081 1.00737.35 O ATOM 41472 C2* C 01979 155.342 90.692 107.625 1.00737.35 C ATOM 41473 O2* C 01979 156.629 91.023 107.142 1.00737.35 O ATOM 41474 C1* C 01979 154.453 91.938 107.632 1.00737.35 C ATOM 41475 N1 C 01979 153.466 91.964 108.732 1.00737.35 N ATOM 41476 C2 C 01979 153.895 92.309 110.028 1.00737.35 C ATOM 41477 O2 C 01979 155.094 92.576 110.217 1.00737.35 O ATOM 41478 N3 C 01979 152.992 92.341 111.034 1.00737.35 N ATOM 41479 C4 C 01979 151.711 92.045 110.794 1.00737.35 C ATOM 41480 N4 C 01979 150.857 92.092 111.817 1.00737.35 N ATOM 41481 C5 C 01979 151.251 91.690 109.493 1.00737.35 C ATOM 41482 C6 C 01979 152.150 91.659 108.503 1.00737.35 C ATOM 41483 P A 01980 155.440 87.295 106.638 1.00737.35 P ATOM 41484 O1P A 01980 156.699 86.667 106.156 1.00737.35 O ATOM 41485 O2P A 01980 154.136 86.669 106.306 1.00737.35 O ATOM 41486 O5* A 01980 155.520 87.466 108.221 1.00737.35 O ATOM 41487 C5* A 01980 156.718 87.180 108.945 1.00737.35 C ATOM 41488 C4* A 01980 156.761 88.001 110.211 1.00737.35 C ATOM 41489 O4* A 01980 155.499 87.856 110.915 1.00737.35 O ATOM 41490 C3* A 01980 157.818 87.606 111.234 1.00737.35 C ATOM 41491 O3* A 01980 159.079 88.207 110.942 1.00737.35 O ATOM 41492 C2* A 01980 157.219 88.139 112.530 1.00737.35 C ATOM 41493 O2* A 01980 157.415 89.529 112.702 1.00737.35 O ATOM 41494 C1* A 01980 155.733 87.854 112.315 1.00737.35 C ATOM 41495 N9 A 01980 155.303 86.562 112.854 1.00737.35 N ATOM 41496 C8 A 01980 154.969 85.418 112.165 1.00737.35 C ATOM 41497 N7 A 01980 154.619 84.419 112.937 1.00737.35 N ATOM 41498 C5 A 01980 154.729 84.935 114.221 1.00737.35 C ATOM 41499 C6 A 01980 154.500 84.374 115.489 1.00737.35 C ATOM 41500 N6 A 01980 154.082 83.120 115.683 1.00737.35 N ATOM 41501 N1 A 01980 154.711 85.160 116.568 1.00737.35 N ATOM 41502 C2 A 01980 155.118 86.419 116.376 1.00737.35 C ATOM 41503 N3 A 01980 155.365 87.058 115.236 1.00737.35 N ATOM 41504 C4 A 01980 155.151 86.252 114.183 1.00737.35 C ATOM 41505 P A 01981 160.402 87.695 111.705 1.00737.35 P ATOM 41506 O1P A 01981 161.568 88.302 111.014 1.00737.35 O ATOM 41507 O2P A 01981 160.327 86.219 111.856 1.00737.35 O ATOM 41508 O5* A 01981 160.291 88.348 113.156 1.00737.35 O ATOM 41509 C5* A 01981 160.323 89.765 113.321 1.00737.35 C ATOM 41510 C4* A 01981 160.226 90.135 114.787 1.00737.35 C ATOM 41511 O4* A 01981 158.964 89.668 115.330 1.00737.35 O ATOM 41512 C3* A 01981 161.268 89.528 115.713 1.00737.35 C ATOM 41513 O3* A 01981 162.485 90.267 115.673 1.00737.35 O ATOM 41514 C2* A 01981 160.585 89.637 117.073 1.00737.35 C ATOM 41515 O2* A 01981 160.689 90.925 117.647 1.00737.35 O ATOM 41516 C1* A 01981 159.124 89.357 116.707 1.00737.35 C ATOM 41517 N9 A 01981 158.733 87.964 116.925 1.00737.35 N ATOM 41518 C8 A 01981 158.751 86.921 116.032 1.00737.35 C ATOM 41519 N7 A 01981 158.340 85.784 116.537 1.00737.35 N ATOM 41520 C5 A 01981 158.028 86.093 117.853 1.00737.35 C ATOM 41521 C6 A 01981 157.536 85.319 118.918 1.00737.35 C ATOM 41522 N6 A 01981 157.258 84.017 118.823 1.00737.35 N ATOM 41523 N1 A 01981 157.333 85.936 120.103 1.00737.35 N ATOM 41524 C2 A 01981 157.609 87.242 120.199 1.00737.35 C ATOM 41525 N3 A 01981 158.072 88.077 119.271 1.00737.35 N ATOM 41526 C4 A 01981 158.263 87.434 118.106 1.00737.35 C ATOM 41527 P C 01982 163.858 89.572 116.138 1.00737.35 P ATOM 41528 O1P C 01982 164.958 90.521 115.832 1.00737.35 O ATOM 41529 O2P C 01982 163.904 88.196 115.583 1.00737.35 O ATOM 41530 O5* C 01982 163.718 89.466 117.723 1.00737.35 O ATOM 41531 C5* C 01982 163.615 90.639 118.529 1.00737.35 C ATOM 41532 C4* C 01982 163.237 90.278 119.946 1.00737.35 C ATOM 41533 O4* C 01982 161.933 89.637 119.952 1.00737.35 O ATOM 41534 C3* C 01982 164.142 89.275 120.646 1.00737.35 C ATOM 41535 O3* C 01982 165.285 89.918 121.198 1.00737.35 O ATOM 41536 C2* C 01982 163.225 88.714 121.726 1.00737.35 C ATOM 41537 O2* C 01982 163.129 89.549 122.864 1.00737.35 O ATOM 41538 C1* C 01982 161.878 88.677 120.997 1.00737.35 C ATOM 41539 N1 C 01982 161.554 87.355 120.420 1.00737.35 N ATOM 41540 C2 C 01982 160.891 86.411 121.222 1.00737.35 C ATOM 41541 O2 C 01982 160.592 86.710 122.393 1.00737.35 O ATOM 41542 N3 C 01982 160.594 85.199 120.704 1.00737.35 N ATOM 41543 C4 C 01982 160.930 84.907 119.446 1.00737.35 C ATOM 41544 N4 C 01982 160.616 83.696 118.979 1.00737.35 N ATOM 41545 C5 C 01982 161.602 85.847 118.608 1.00737.35 C ATOM 41546 C6 C 01982 161.890 87.047 119.130 1.00737.35 C ATOM 41547 P G 01983 166.603 89.059 121.529 1.00737.35 P ATOM 41548 O1P G 01983 167.645 90.010 121.995 1.00737.35 O ATOM 41549 O2P G 01983 166.891 88.164 120.378 1.00737.35 O ATOM 41550 O5* G 01983 166.164 88.154 122.767 1.00737.35 O ATOM 41551 C5* G 01983 165.894 88.738 124.038 1.00737.35 C ATOM 41552 C4* G 01983 165.406 87.689 125.010 1.00737.35 C ATOM 41553 O4* G 01983 164.124 87.170 124.568 1.00737.35 O ATOM 41554 C3* G 01983 166.280 86.449 125.144 1.00737.35 C ATOM 41555 O3* G 01983 167.357 86.683 126.048 1.00737.35 O ATOM 41556 C2* G 01983 165.295 85.419 125.680 1.00737.35 C ATOM 41557 O2* G 01983 165.085 85.523 127.075 1.00737.35 O ATOM 41558 C1* G 01983 164.012 85.804 124.936 1.00737.35 C ATOM 41559 N9 G 01983 163.766 85.010 123.733 1.00737.35 N ATOM 41560 C8 G 01983 163.944 85.397 122.426 1.00737.35 C ATOM 41561 N7 G 01983 163.630 84.465 121.567 1.00737.35 N ATOM 41562 C5 G 01983 163.220 83.397 122.352 1.00737.35 C ATOM 41563 C6 G 01983 162.761 82.103 121.983 1.00737.35 C ATOM 41564 O6 G 01983 162.616 81.627 120.850 1.00737.35 O ATOM 41565 N1 G 01983 162.455 81.333 123.100 1.00737.35 N ATOM 41566 C2 G 01983 162.575 81.746 124.402 1.00737.35 C ATOM 41567 N2 G 01983 162.237 80.851 125.340 1.00737.35 N ATOM 41568 N3 G 01983 162.997 82.948 124.760 1.00737.35 N ATOM 41569 C4 G 01983 163.301 83.715 123.692 1.00737.35 C ATOM 41570 P A 01984 168.688 85.782 125.951 1.00737.35 P ATOM 41571 O1P A 01984 169.674 86.354 126.903 1.00737.35 O ATOM 41572 O2P A 01984 169.054 85.632 124.518 1.00737.35 O ATOM 41573 O5* A 01984 168.226 84.359 126.501 1.00737.35 O ATOM 41574 C5* A 01984 167.846 84.192 127.865 1.00737.35 C ATOM 41575 C4* A 01984 167.367 82.779 128.110 1.00737.35 C ATOM 41576 O4* A 01984 166.157 82.539 127.344 1.00737.35 O ATOM 41577 C3* A 01984 168.310 81.672 127.672 1.00737.35 C ATOM 41578 O3* A 01984 169.303 81.423 128.661 1.00737.35 O ATOM 41579 C2* A 01984 167.361 80.490 127.501 1.00737.35 C ATOM 41580 O2* A 01984 167.039 79.854 128.722 1.00737.35 O ATOM 41581 C1* A 01984 166.119 81.181 126.931 1.00737.35 C ATOM 41582 N9 A 01984 166.051 81.138 125.467 1.00737.35 N ATOM 41583 C8 A 01984 166.508 82.068 124.565 1.00737.35 C ATOM 41584 N7 A 01984 166.294 81.741 123.313 1.00737.35 N ATOM 41585 C5 A 01984 165.657 80.511 123.396 1.00737.35 C ATOM 41586 C6 A 01984 165.167 79.632 122.414 1.00737.35 C ATOM 41587 N6 A 01984 165.244 79.866 121.100 1.00737.35 N ATOM 41588 N1 A 01984 164.584 78.488 122.831 1.00737.35 N ATOM 41589 C2 A 01984 164.505 78.252 124.146 1.00737.35 C ATOM 41590 N3 A 01984 164.927 78.998 125.163 1.00737.35 N ATOM 41591 C4 A 01984 165.500 80.127 124.715 1.00737.35 C ATOM 41592 P G 01985 170.748 80.871 128.220 1.00737.35 P ATOM 41593 O1P G 01985 171.649 80.950 129.398 1.00737.35 O ATOM 41594 O2P G 01985 171.128 81.557 126.960 1.00737.35 O ATOM 41595 O5* G 01985 170.487 79.336 127.883 1.00737.35 O ATOM 41596 C5* G 01985 170.229 78.393 128.922 1.00737.35 C ATOM 41597 C4* G 01985 169.924 77.032 128.338 1.00737.35 C ATOM 41598 O4* G 01985 168.690 77.095 127.574 1.00737.35 O ATOM 41599 C3* G 01985 170.940 76.482 127.350 1.00737.35 C ATOM 41600 O3* G 01985 172.034 75.864 128.022 1.00737.35 O ATOM 41601 C2* G 01985 170.111 75.476 126.562 1.00737.35 C ATOM 41602 O2* G 01985 169.959 74.237 127.230 1.00737.35 O ATOM 41603 C1* G 01985 168.760 76.190 126.482 1.00737.35 C ATOM 41604 N9 G 01985 168.576 76.940 125.240 1.00737.35 N ATOM 41605 C8 G 01985 168.856 78.269 125.018 1.00737.35 C ATOM 41606 N7 G 01985 168.590 78.651 123.798 1.00737.35 N ATOM 41607 C5 G 01985 168.104 77.508 123.178 1.00737.35 C ATOM 41608 C6 G 01985 167.651 77.303 121.846 1.00737.35 C ATOM 41609 O6 G 01985 167.590 78.121 120.919 1.00737.35 O ATOM 41610 N1 G 01985 167.245 75.989 121.641 1.00737.35 N ATOM 41611 C2 G 01985 167.268 74.996 122.590 1.00737.35 C ATOM 41612 N2 G 01985 166.834 73.790 122.196 1.00737.35 N ATOM 41613 N3 G 01985 167.689 75.172 123.832 1.00737.35 N ATOM 41614 C4 G 01985 168.087 76.443 124.054 1.00737.35 C ATOM 41615 P G 01986 173.450 75.714 127.276 1.00737.35 P ATOM 41616 O1P G 01986 174.435 75.177 128.252 1.00737.35 O ATOM 41617 O2P G 01986 173.734 76.996 126.581 1.00737.35 O ATOM 41618 O5* G 01986 173.182 74.603 126.164 1.00737.35 O ATOM 41619 C5* G 01986 172.965 73.240 126.531 1.00737.35 C ATOM 41620 C4* G 01986 172.678 72.404 125.303 1.00737.35 C ATOM 41621 O4* G 01986 171.429 72.839 124.704 1.00737.35 O ATOM 41622 C3* G 01986 173.689 72.506 124.173 1.00737.35 C ATOM 41623 O3* G 01986 174.795 71.634 124.392 1.00737.35 O ATOM 41624 C2* G 01986 172.867 72.087 122.961 1.00737.35 C ATOM 41625 O2* G 01986 172.745 70.685 122.829 1.00737.35 O ATOM 41626 C1* G 01986 171.501 72.696 123.293 1.00737.35 C ATOM 41627 N9 G 01986 171.279 74.002 122.679 1.00737.35 N ATOM 41628 C8 G 01986 171.382 75.235 123.278 1.00737.35 C ATOM 41629 N7 G 01986 171.117 76.225 122.470 1.00737.35 N ATOM 41630 C5 G 01986 170.821 75.610 121.258 1.00737.35 C ATOM 41631 C6 G 01986 170.460 76.172 120.006 1.00737.35 C ATOM 41632 O6 G 01986 170.321 77.364 119.708 1.00737.35 O ATOM 41633 N1 G 01986 170.252 75.188 119.046 1.00737.35 N ATOM 41634 C2 G 01986 170.375 73.836 119.260 1.00737.35 C ATOM 41635 N2 G 01986 170.134 73.048 118.202 1.00737.35 N ATOM 41636 N3 G 01986 170.709 73.300 120.422 1.00737.35 N ATOM 41637 C4 G 01986 170.918 74.239 121.370 1.00737.35 C ATOM 41638 P G 01987 176.215 71.956 123.709 1.00737.35 P ATOM 41639 O1P G 01987 177.165 70.879 124.086 1.00737.35 O ATOM 41640 O2P G 01987 176.550 73.371 124.021 1.00737.35 O ATOM 41641 O5* G 01987 175.921 71.840 122.148 1.00737.35 O ATOM 41642 C5* G 01987 176.777 72.460 121.190 1.00737.35 C ATOM 41643 C4* G 01987 176.248 72.232 119.793 1.00737.35 C ATOM 41644 O4* G 01987 174.860 72.656 119.731 1.00737.35 O ATOM 41645 C3* G 01987 176.938 73.029 118.698 1.00737.35 C ATOM 41646 O3* G 01987 178.104 72.355 118.229 1.00737.35 O ATOM 41647 C2* G 01987 175.861 73.105 117.622 1.00737.35 C ATOM 41648 O2* G 01987 175.781 71.934 116.830 1.00737.35 O ATOM 41649 C1* G 01987 174.594 73.244 118.468 1.00737.35 C ATOM 41650 N9 G 01987 174.174 74.627 118.681 1.00737.35 N ATOM 41651 C8 G 01987 174.213 75.336 119.859 1.00737.35 C ATOM 41652 N7 G 01987 173.765 76.556 119.740 1.00737.35 N ATOM 41653 C5 G 01987 173.409 76.663 118.402 1.00737.35 C ATOM 41654 C6 G 01987 172.858 77.756 117.685 1.00737.35 C ATOM 41655 O6 G 01987 172.564 78.884 118.099 1.00737.35 O ATOM 41656 N1 G 01987 172.652 77.433 116.347 1.00737.35 N ATOM 41657 C2 G 01987 172.937 76.220 115.773 1.00737.35 C ATOM 41658 N2 G 01987 172.668 76.108 114.462 1.00737.35 N ATOM 41659 N3 G 01987 173.448 75.193 116.431 1.00737.35 N ATOM 41660 C4 G 01987 173.656 75.484 117.733 1.00737.35 C ATOM 41661 P A 01988 179.372 73.209 117.728 1.00737.35 P ATOM 41662 O1P A 01988 180.373 72.265 117.169 1.00737.35 O ATOM 41663 O2P A 01988 179.762 74.120 118.834 1.00737.35 O ATOM 41664 O5* A 01988 178.799 74.100 116.537 1.00737.35 O ATOM 41665 C5* A 01988 178.376 73.504 115.311 1.00737.35 C ATOM 41666 C4* A 01988 177.695 74.533 114.435 1.00737.35 C ATOM 41667 O4* A 01988 176.499 75.015 115.105 1.00737.35 O ATOM 41668 C3* A 01988 178.503 75.791 114.150 1.00737.35 C ATOM 41669 O3* A 01988 179.378 75.608 113.044 1.00737.35 O ATOM 41670 C2* A 01988 177.414 76.810 113.845 1.00737.35 C ATOM 41671 O2* A 01988 176.917 76.716 112.523 1.00737.35 O ATOM 41672 C1* A 01988 176.326 76.398 114.841 1.00737.35 C ATOM 41673 N9 A 01988 176.396 77.129 116.108 1.00737.35 N ATOM 41674 C8 A 01988 176.975 76.725 117.288 1.00737.35 C ATOM 41675 N7 A 01988 176.877 77.605 118.253 1.00737.35 N ATOM 41676 C5 A 01988 176.188 78.661 117.672 1.00737.35 C ATOM 41677 C6 A 01988 175.765 79.905 118.174 1.00737.35 C ATOM 41678 N6 A 01988 175.985 80.312 119.426 1.00737.35 N ATOM 41679 N1 A 01988 175.101 80.728 117.335 1.00737.35 N ATOM 41680 C2 A 01988 174.881 80.319 116.080 1.00737.35 C ATOM 41681 N3 A 01988 175.225 79.177 115.491 1.00737.35 N ATOM 41682 C4 A 01988 175.884 78.380 116.351 1.00737.35 C ATOM 41683 P C 01989 180.873 76.197 113.108 1.00737.35 P ATOM 41684 O1P C 01989 181.444 76.167 111.736 1.00737.35 O ATOM 41685 O2P C 01989 181.577 75.495 114.211 1.00737.35 O ATOM 41686 O5* C 01989 180.674 77.713 113.556 1.00737.35 O ATOM 41687 C5* C 01989 180.699 78.779 112.609 1.00737.35 C ATOM 41688 C4* C 01989 181.242 80.032 113.255 1.00737.35 C ATOM 41689 O4* C 01989 180.349 80.441 114.326 1.00737.35 O ATOM 41690 C3* C 01989 182.594 79.874 113.929 1.00737.35 C ATOM 41691 O3* C 01989 183.659 80.037 112.997 1.00737.35 O ATOM 41692 C2* C 01989 182.569 80.978 114.976 1.00737.35 C ATOM 41693 O2* C 01989 182.871 82.255 114.447 1.00737.35 O ATOM 41694 C1* C 01989 181.105 80.931 115.424 1.00737.35 C ATOM 41695 N1 C 01989 180.875 80.049 116.586 1.00737.35 N ATOM 41696 C2 C 01989 181.157 80.533 117.877 1.00737.35 C ATOM 41697 O2 C 01989 181.597 81.688 118.011 1.00737.35 O ATOM 41698 N3 C 01989 180.941 79.728 118.943 1.00737.35 N ATOM 41699 C4 C 01989 180.471 78.491 118.766 1.00737.35 C ATOM 41700 N4 C 01989 180.277 77.734 119.849 1.00737.35 N ATOM 41701 C5 C 01989 180.181 77.975 117.470 1.00737.35 C ATOM 41702 C6 C 01989 180.394 78.779 116.421 1.00737.35 C ATOM 41703 P U 01990 185.040 79.242 113.221 1.00737.35 P ATOM 41704 O1P U 01990 185.967 79.607 112.119 1.00737.35 O ATOM 41705 O2P U 01990 184.706 77.815 113.453 1.00737.35 O ATOM 41706 O5* U 01990 185.611 79.843 114.582 1.00737.35 O ATOM 41707 C5* U 01990 186.086 81.187 114.645 1.00737.35 C ATOM 41708 C4* U 01990 186.641 81.488 116.018 1.00737.35 C ATOM 41709 O4* U 01990 185.571 81.455 116.999 1.00737.35 O ATOM 41710 C3* U 01990 187.663 80.498 116.558 1.00737.35 C ATOM 41711 O3* U 01990 188.964 80.768 116.049 1.00737.35 O ATOM 41712 C2* U 01990 187.574 80.733 118.062 1.00737.35 C ATOM 41713 O2* U 01990 188.311 81.861 118.492 1.00737.35 O ATOM 41714 C1* U 01990 186.076 80.993 118.242 1.00737.35 C ATOM 41715 N1 U 01990 185.318 79.797 118.654 1.00737.35 N ATOM 41716 C2 U 01990 185.274 79.496 120.009 1.00737.35 C ATOM 41717 O2 U 01990 185.830 80.170 120.862 1.00737.35 O ATOM 41718 N3 U 01990 184.556 78.370 120.327 1.00737.35 N ATOM 41719 C4 U 01990 183.888 77.533 119.457 1.00737.35 C ATOM 41720 O4 U 01990 183.281 76.557 119.901 1.00737.35 O ATOM 41721 C5 U 01990 183.978 77.910 118.080 1.00737.35 C ATOM 41722 C6 U 01990 184.670 78.999 117.733 1.00737.35 C ATOM 41723 P C 01991 190.054 79.590 115.984 1.00737.35 P ATOM 41724 O1P C 01991 191.267 80.118 115.312 1.00737.35 O ATOM 41725 O2P C 01991 189.383 78.380 115.438 1.00737.35 O ATOM 41726 O5* C 01991 190.403 79.309 117.514 1.00737.35 O ATOM 41727 C5* C 01991 191.169 80.245 118.269 1.00737.35 C ATOM 41728 C4* C 01991 191.428 79.715 119.663 1.00737.35 C ATOM 41729 O4* C 01991 190.183 79.647 120.403 1.00737.35 O ATOM 41730 C3* C 01991 191.985 78.304 119.751 1.00737.35 C ATOM 41731 O3* C 01991 193.394 78.290 119.545 1.00737.35 O ATOM 41732 C2* C 01991 191.609 77.902 121.172 1.00737.35 C ATOM 41733 O2* C 01991 192.504 78.400 122.148 1.00737.35 O ATOM 41734 C1* C 01991 190.242 78.574 121.331 1.00737.35 C ATOM 41735 N1 C 01991 189.103 77.663 121.086 1.00737.35 N ATOM 41736 C2 C 01991 188.617 76.886 122.152 1.00737.35 C ATOM 41737 O2 C 01991 189.151 76.988 123.268 1.00737.35 O ATOM 41738 N3 C 01991 187.579 76.046 121.938 1.00737.35 N ATOM 41739 C4 C 01991 187.026 75.962 120.726 1.00737.35 C ATOM 41740 N4 C 01991 186.003 75.118 120.564 1.00737.35 N ATOM 41741 C5 C 01991 187.498 76.736 119.626 1.00737.35 C ATOM 41742 C6 C 01991 188.528 77.566 119.848 1.00737.35 C ATOM 41743 P G 01992 194.100 76.960 118.978 1.00737.35 P ATOM 41744 O1P G 01992 195.511 77.292 118.651 1.00737.35 O ATOM 41745 O2P G 01992 193.220 76.391 117.922 1.00737.35 O ATOM 41746 O5* G 01992 194.088 75.962 120.219 1.00737.35 O ATOM 41747 C5* G 01992 195.020 76.111 121.287 1.00737.35 C ATOM 41748 C4* G 01992 194.917 74.949 122.248 1.00737.35 C ATOM 41749 O4* G 01992 193.648 75.000 122.950 1.00737.35 O ATOM 41750 C3* G 01992 194.936 73.562 121.628 1.00737.35 C ATOM 41751 O3* G 01992 196.262 73.137 121.345 1.00737.35 O ATOM 41752 C2* G 01992 194.278 72.717 122.713 1.00737.35 C ATOM 41753 O2* G 01992 195.169 72.352 123.749 1.00737.35 O ATOM 41754 C1* G 01992 193.218 73.681 123.254 1.00737.35 C ATOM 41755 N9 G 01992 191.895 73.475 122.672 1.00737.35 N ATOM 41756 C8 G 01992 191.442 73.916 121.452 1.00737.35 C ATOM 41757 N7 G 01992 190.209 73.565 121.203 1.00737.35 N ATOM 41758 C5 G 01992 189.821 72.851 122.329 1.00737.35 C ATOM 41759 C6 G 01992 188.587 72.220 122.638 1.00737.35 C ATOM 41760 O6 G 01992 187.558 72.161 121.953 1.00737.35 O ATOM 41761 N1 G 01992 188.624 71.610 123.887 1.00737.35 N ATOM 41762 C2 G 01992 189.707 71.605 124.734 1.00737.35 C ATOM 41763 N2 G 01992 189.542 70.960 125.899 1.00737.35 N ATOM 41764 N3 G 01992 190.861 72.188 124.457 1.00737.35 N ATOM 41765 C4 G 01992 190.848 72.788 123.246 1.00737.35 C ATOM 41766 P G 01993 196.538 72.149 120.106 1.00737.35 P ATOM 41767 O1P G 01993 198.003 71.928 120.006 1.00737.35 O ATOM 41768 O2P G 01993 195.796 72.678 118.933 1.00737.35 O ATOM 41769 O5* G 01993 195.851 70.783 120.548 1.00737.35 O ATOM 41770 C5* G 01993 196.392 70.003 121.612 1.00737.35 C ATOM 41771 C4* G 01993 195.494 68.828 121.920 1.00737.35 C ATOM 41772 O4* G 01993 194.221 69.302 122.426 1.00737.35 O ATOM 41773 C3* G 01993 195.111 67.946 120.740 1.00737.35 C ATOM 41774 O3* G 01993 196.141 67.005 120.447 1.00737.35 O ATOM 41775 C2* G 01993 193.843 67.269 121.243 1.00737.35 C ATOM 41776 O2* G 01993 194.099 66.160 122.082 1.00737.35 O ATOM 41777 C1* G 01993 193.197 68.394 122.058 1.00737.35 C ATOM 41778 N9 G 01993 192.156 69.121 121.334 1.00737.35 N ATOM 41779 C8 G 01993 192.311 70.225 120.525 1.00737.35 C ATOM 41780 N7 G 01993 191.186 70.648 120.014 1.00737.35 N ATOM 41781 C5 G 01993 190.230 69.773 120.514 1.00737.35 C ATOM 41782 C6 G 01993 188.823 69.728 120.307 1.00737.35 C ATOM 41783 O6 G 01993 188.116 70.476 119.619 1.00737.35 O ATOM 41784 N1 G 01993 188.240 68.676 121.005 1.00737.35 N ATOM 41785 C2 G 01993 188.916 67.783 121.798 1.00737.35 C ATOM 41786 N2 G 01993 188.173 66.836 122.390 1.00737.35 N ATOM 41787 N3 G 01993 190.223 67.812 121.997 1.00737.35 N ATOM 41788 C4 G 01993 190.811 68.825 121.330 1.00737.35 C ATOM 41789 P U 01994 196.255 66.377 118.972 1.00737.35 P ATOM 41790 O1P U 01994 197.550 65.655 118.900 1.00737.35 O ATOM 41791 O2P U 01994 195.954 67.441 117.979 1.00737.35 O ATOM 41792 O5* U 01994 195.078 65.303 118.920 1.00737.35 O ATOM 41793 C5* U 01994 195.141 64.109 119.700 1.00737.35 C ATOM 41794 C4* U 01994 193.844 63.343 119.596 1.00737.35 C ATOM 41795 O4* U 01994 192.768 64.134 120.165 1.00737.35 O ATOM 41796 C3* U 01994 193.367 63.024 118.186 1.00737.35 C ATOM 41797 O3* U 01994 193.990 61.847 117.682 1.00737.35 O ATOM 41798 C2* U 01994 191.869 62.821 118.393 1.00737.35 C ATOM 41799 O2* U 01994 191.546 61.535 118.881 1.00737.35 O ATOM 41800 C1* U 01994 191.561 63.873 119.462 1.00737.35 C ATOM 41801 N1 U 01994 191.044 65.139 118.916 1.00737.35 N ATOM 41802 C2 U 01994 189.675 65.235 118.691 1.00737.35 C ATOM 41803 O2 U 01994 188.894 64.324 118.925 1.00737.35 O ATOM 41804 N3 U 01994 189.256 66.439 118.178 1.00737.35 N ATOM 41805 C4 U 01994 190.039 67.532 117.876 1.00737.35 C ATOM 41806 O4 U 01994 189.511 68.545 117.414 1.00737.35 O ATOM 41807 C5 U 01994 191.436 67.359 118.136 1.00737.35 C ATOM 41808 C6 U 01994 191.879 66.199 118.634 1.00737.35 C ATOM 41809 P G 01995 194.400 61.763 116.129 1.00737.35 P ATOM 41810 O1P G 01995 194.825 60.365 115.861 1.00737.35 O ATOM 41811 O2P G 01995 195.329 62.881 115.831 1.00737.35 O ATOM 41812 O5* G 01995 193.034 62.027 115.349 1.00737.35 O ATOM 41813 C5* G 01995 191.915 61.155 115.508 1.00737.35 C ATOM 41814 C4* G 01995 190.659 61.815 114.986 1.00737.35 C ATOM 41815 O4* G 01995 190.409 63.033 115.738 1.00737.35 O ATOM 41816 C3* G 01995 190.702 62.267 113.536 1.00737.35 C ATOM 41817 O3* G 01995 190.339 61.198 112.669 1.00737.35 O ATOM 41818 C2* G 01995 189.654 63.374 113.507 1.00737.35 C ATOM 41819 O2* G 01995 188.334 62.878 113.394 1.00737.35 O ATOM 41820 C1* G 01995 189.848 64.016 114.884 1.00737.35 C ATOM 41821 N9 G 01995 190.733 65.180 114.870 1.00737.35 N ATOM 41822 C8 G 01995 192.087 65.199 115.112 1.00737.35 C ATOM 41823 N7 G 01995 192.604 66.396 115.034 1.00737.35 N ATOM 41824 C5 G 01995 191.529 67.215 114.719 1.00737.35 C ATOM 41825 C6 G 01995 191.474 68.618 114.510 1.00737.35 C ATOM 41826 O6 G 01995 192.394 69.442 114.561 1.00737.35 O ATOM 41827 N1 G 01995 190.183 69.040 114.212 1.00737.35 N ATOM 41828 C2 G 01995 189.083 68.221 114.127 1.00737.35 C ATOM 41829 N2 G 01995 187.923 68.820 113.828 1.00737.35 N ATOM 41830 N3 G 01995 189.119 66.913 114.322 1.00737.35 N ATOM 41831 C4 G 01995 190.366 66.480 114.614 1.00737.35 C ATOM 41832 P A 01996 190.931 61.137 111.177 1.00737.35 P ATOM 41833 O1P A 01996 192.263 60.482 111.252 1.00737.35 O ATOM 41834 O2P A 01996 190.814 62.485 110.561 1.00737.35 O ATOM 41835 O5* A 01996 189.936 60.156 110.414 1.00737.35 O ATOM 41836 C5* A 01996 189.586 58.890 110.971 1.00737.35 C ATOM 41837 C4* A 01996 188.113 58.618 110.778 1.00737.35 C ATOM 41838 O4* A 01996 187.346 59.645 111.460 1.00737.35 O ATOM 41839 C3* A 01996 187.617 58.666 109.342 1.00737.35 C ATOM 41840 O3* A 01996 187.815 57.412 108.697 1.00737.35 O ATOM 41841 C2* A 01996 186.138 58.992 109.520 1.00737.35 C ATOM 41842 O2* A 01996 185.356 57.859 109.845 1.00737.35 O ATOM 41843 C1* A 01996 186.181 59.951 110.712 1.00737.35 C ATOM 41844 N9 A 01996 186.233 61.362 110.323 1.00737.35 N ATOM 41845 C8 A 01996 187.317 62.206 110.332 1.00737.35 C ATOM 41846 N7 A 01996 187.048 63.423 109.930 1.00737.35 N ATOM 41847 C5 A 01996 185.694 63.383 109.633 1.00737.35 C ATOM 41848 C6 A 01996 184.801 64.360 109.155 1.00737.35 C ATOM 41849 N6 A 01996 185.154 65.618 108.886 1.00737.35 N ATOM 41850 N1 A 01996 183.517 63.994 108.962 1.00737.35 N ATOM 41851 C2 A 01996 183.160 62.731 109.235 1.00737.35 C ATOM 41852 N3 A 01996 183.907 61.726 109.689 1.00737.35 N ATOM 41853 C4 A 01996 185.177 62.120 109.869 1.00737.35 C ATOM 41854 P A 01997 187.988 57.355 107.098 1.00737.35 P ATOM 41855 O1P A 01997 188.146 55.924 106.725 1.00737.35 O ATOM 41856 O2P A 01997 189.031 58.334 106.703 1.00737.35 O ATOM 41857 O5* A 01997 186.586 57.865 106.542 1.00737.35 O ATOM 41858 C5* A 01997 185.395 57.108 106.747 1.00737.35 C ATOM 41859 C4* A 01997 184.206 57.826 106.145 1.00737.35 C ATOM 41860 O4* A 01997 183.988 59.075 106.852 1.00737.35 O ATOM 41861 C3* A 01997 184.361 58.238 104.690 1.00737.35 C ATOM 41862 O3* A 01997 184.010 57.168 103.822 1.00737.35 O ATOM 41863 C2* A 01997 183.378 59.398 104.576 1.00737.35 C ATOM 41864 O2* A 01997 182.041 58.974 104.391 1.00737.35 O ATOM 41865 C1* A 01997 183.527 60.063 105.947 1.00737.35 C ATOM 41866 N9 A 01997 184.475 61.182 105.956 1.00737.35 N ATOM 41867 C8 A 01997 185.772 61.192 106.406 1.00737.35 C ATOM 41868 N7 A 01997 186.366 62.353 106.283 1.00737.35 N ATOM 41869 C5 A 01997 185.396 63.167 105.714 1.00737.35 C ATOM 41870 C6 A 01997 185.404 64.519 105.329 1.00737.35 C ATOM 41871 N6 A 01997 186.458 65.324 105.471 1.00737.35 N ATOM 41872 N1 A 01997 184.270 65.022 104.789 1.00737.35 N ATOM 41873 C2 A 01997 183.213 64.215 104.651 1.00737.35 C ATOM 41874 N3 A 01997 183.086 62.930 104.972 1.00737.35 N ATOM 41875 C4 A 01997 184.225 62.459 105.505 1.00737.35 C ATOM 41876 P A 01998 184.955 56.814 102.564 1.00737.35 P ATOM 41877 O1P A 01998 185.707 55.583 102.912 1.00737.35 O ATOM 41878 O2P A 01998 185.694 58.035 102.153 1.00737.35 O ATOM 41879 O5* A 01998 183.920 56.451 101.408 1.00737.35 O ATOM 41880 C5* A 01998 182.896 55.479 101.614 1.00737.35 C ATOM 41881 C4* A 01998 181.560 56.027 101.164 1.00737.35 C ATOM 41882 O4* A 01998 181.217 57.176 101.985 1.00737.35 O ATOM 41883 C3* A 01998 181.514 56.557 99.739 1.00737.35 C ATOM 41884 O3* A 01998 181.275 55.511 98.804 1.00737.35 O ATOM 41885 C2* A 01998 180.349 57.539 99.801 1.00737.35 C ATOM 41886 O2* A 01998 179.086 56.911 99.710 1.00737.35 O ATOM 41887 C1* A 01998 180.534 58.139 101.196 1.00737.35 C ATOM 41888 N9 A 01998 181.316 59.377 101.192 1.00737.35 N ATOM 41889 C8 A 01998 182.683 59.517 101.115 1.00737.35 C ATOM 41890 N7 A 01998 183.089 60.761 101.127 1.00737.35 N ATOM 41891 C5 A 01998 181.914 61.494 101.222 1.00737.35 C ATOM 41892 C6 A 01998 181.665 62.878 101.277 1.00737.35 C ATOM 41893 N6 A 01998 182.626 63.804 101.244 1.00737.35 N ATOM 41894 N1 A 01998 180.380 63.281 101.368 1.00737.35 N ATOM 41895 C2 A 01998 179.419 62.350 101.400 1.00737.35 C ATOM 41896 N3 A 01998 179.525 61.024 101.353 1.00737.35 N ATOM 41897 C4 A 01998 180.816 60.655 101.264 1.00737.35 C ATOM 41898 P U 01999 182.243 55.337 97.530 1.00737.35 P ATOM 41899 O1P U 01999 181.501 54.546 96.517 1.00737.35 O ATOM 41900 O2P U 01999 183.562 54.855 98.016 1.00737.35 O ATOM 41901 O5* U 01999 182.428 56.818 96.969 1.00737.35 O ATOM 41902 C5* U 01999 181.301 57.611 96.609 1.00737.35 C ATOM 41903 C4* U 01999 181.690 59.070 96.518 1.00737.35 C ATOM 41904 O4* U 01999 182.207 59.505 97.805 1.00737.35 O ATOM 41905 C3* U 01999 182.805 59.397 95.539 1.00737.35 C ATOM 41906 O3* U 01999 182.289 59.559 94.221 1.00737.35 O ATOM 41907 C2* U 01999 183.356 60.702 96.102 1.00737.35 C ATOM 41908 O2* U 01999 182.581 61.831 95.751 1.00737.35 O ATOM 41909 C1* U 01999 183.248 60.447 97.608 1.00737.35 C ATOM 41910 N1 U 01999 184.487 59.915 98.199 1.00737.35 N ATOM 41911 C2 U 01999 185.434 60.824 98.655 1.00737.35 C ATOM 41912 O2 U 01999 185.282 62.033 98.591 1.00737.35 O ATOM 41913 N3 U 01999 186.567 60.262 99.186 1.00737.35 N ATOM 41914 C4 U 01999 186.852 58.917 99.311 1.00737.35 C ATOM 41915 O4 U 01999 187.923 58.568 99.810 1.00737.35 O ATOM 41916 C5 U 01999 185.829 58.044 98.823 1.00737.35 C ATOM 41917 C6 U 01999 184.713 58.557 98.298 1.00737.35 C ATOM 41918 P U 02000 183.196 59.151 92.956 1.00737.35 P ATOM 41919 O1P U 02000 182.390 59.409 91.734 1.00737.35 O ATOM 41920 O2P U 02000 183.754 57.796 93.192 1.00737.35 O ATOM 41921 O5* U 02000 184.397 60.198 92.993 1.00737.35 O ATOM 41922 C5* U 02000 184.171 61.585 92.749 1.00737.35 C ATOM 41923 C4* U 02000 185.481 62.339 92.741 1.00737.35 C ATOM 41924 O4* U 02000 186.070 62.308 94.066 1.00737.35 O ATOM 41925 C3* U 02000 186.563 61.771 91.836 1.00737.35 C ATOM 41926 O3* U 02000 186.388 62.242 90.502 1.00737.35 O ATOM 41927 C2* U 02000 187.838 62.320 92.469 1.00737.35 C ATOM 41928 O2* U 02000 188.124 63.647 92.079 1.00737.35 O ATOM 41929 C1* U 02000 187.484 62.290 93.961 1.00737.35 C ATOM 41930 N1 U 02000 187.999 61.116 94.688 1.00737.35 N ATOM 41931 C2 U 02000 189.261 61.212 95.258 1.00737.35 C ATOM 41932 O2 U 02000 189.960 62.213 95.173 1.00737.35 O ATOM 41933 N3 U 02000 189.677 60.090 95.938 1.00737.35 N ATOM 41934 C4 U 02000 188.977 58.907 96.096 1.00737.35 C ATOM 41935 O4 U 02000 189.474 57.993 96.757 1.00737.35 O ATOM 41936 C5 U 02000 187.693 58.885 95.469 1.00737.35 C ATOM 41937 C6 U 02000 187.257 59.961 94.804 1.00737.35 C ATOM 41938 P G 02001 186.566 61.227 89.267 1.00737.35 P ATOM 41939 O1P G 02001 186.204 61.980 88.039 1.00737.35 O ATOM 41940 O2P G 02001 185.850 59.961 89.585 1.00737.35 O ATOM 41941 O5* G 02001 188.132 60.940 89.218 1.00737.35 O ATOM 41942 C5* G 02001 188.695 59.787 89.839 1.00737.35 C ATOM 41943 C4* G 02001 190.128 59.601 89.393 1.00737.35 C ATOM 41944 O4* G 02001 190.156 59.449 87.948 1.00737.35 O ATOM 41945 C3* G 02001 191.061 60.773 89.670 1.00737.35 C ATOM 41946 O3* G 02001 191.607 60.697 90.984 1.00737.35 O ATOM 41947 C2* G 02001 192.132 60.592 88.602 1.00737.35 C ATOM 41948 O2* G 02001 193.098 59.615 88.940 1.00737.35 O ATOM 41949 C1* G 02001 191.295 60.109 87.417 1.00737.35 C ATOM 41950 N9 G 02001 190.841 61.200 86.556 1.00737.35 N ATOM 41951 C8 G 02001 189.600 61.794 86.549 1.00737.35 C ATOM 41952 N7 G 02001 189.494 62.751 85.667 1.00737.35 N ATOM 41953 C5 G 02001 190.737 62.789 85.050 1.00737.35 C ATOM 41954 C6 G 02001 191.222 63.626 84.012 1.00737.35 C ATOM 41955 O6 G 02001 190.629 64.529 83.410 1.00737.35 O ATOM 41956 N1 G 02001 192.541 63.326 83.690 1.00737.35 N ATOM 41957 C2 G 02001 193.299 62.349 84.288 1.00737.35 C ATOM 41958 N2 G 02001 194.554 62.214 83.835 1.00737.35 N ATOM 41959 N3 G 02001 192.858 61.562 85.255 1.00737.35 N ATOM 41960 C4 G 02001 191.579 61.837 85.585 1.00737.35 C ATOM 41961 P A 02002 192.055 62.043 91.743 1.00737.35 P ATOM 41962 O1P A 02002 192.661 61.641 93.036 1.00737.35 O ATOM 41963 O2P A 02002 190.910 62.991 91.731 1.00737.35 O ATOM 41964 O5* A 02002 193.210 62.640 90.821 1.00737.35 O ATOM 41965 C5* A 02002 193.637 63.991 90.967 1.00737.35 C ATOM 41966 C4* A 02002 194.620 64.351 89.877 1.00737.35 C ATOM 41967 O4* A 02002 194.026 64.081 88.583 1.00737.35 O ATOM 41968 C3* A 02002 195.002 65.822 89.818 1.00737.35 C ATOM 41969 O3* A 02002 196.061 66.117 90.722 1.00737.35 O ATOM 41970 C2* A 02002 195.426 65.988 88.364 1.00737.35 C ATOM 41971 O2* A 02002 196.746 65.545 88.117 1.00737.35 O ATOM 41972 C1* A 02002 194.426 65.075 87.650 1.00737.35 C ATOM 41973 N9 A 02002 193.230 65.783 87.189 1.00737.35 N ATOM 41974 C8 A 02002 192.103 66.094 87.911 1.00737.35 C ATOM 41975 N7 A 02002 191.198 66.745 87.223 1.00737.35 N ATOM 41976 C5 A 02002 191.763 66.874 85.965 1.00737.35 C ATOM 41977 C6 A 02002 191.305 67.473 84.778 1.00737.35 C ATOM 41978 N6 A 02002 190.122 68.081 84.666 1.00737.35 N ATOM 41979 N1 A 02002 192.115 67.427 83.697 1.00737.35 N ATOM 41980 C2 A 02002 193.301 66.819 83.810 1.00737.35 C ATOM 41981 N3 A 02002 193.843 66.221 84.869 1.00737.35 N ATOM 41982 C4 A 02002 193.016 66.284 85.927 1.00737.35 C ATOM 41983 P A 02003 195.955 67.407 91.675 1.00737.35 P ATOM 41984 O1P A 02003 197.295 67.634 92.274 1.00737.35 O ATOM 41985 O2P A 02003 194.776 67.233 92.562 1.00737.35 O ATOM 41986 O5* A 02003 195.660 68.603 90.668 1.00737.35 O ATOM 41987 C5* A 02003 195.024 69.798 91.110 1.00737.35 C ATOM 41988 C4* A 02003 195.035 70.834 90.013 1.00737.35 C ATOM 41989 O4* A 02003 194.425 70.280 88.817 1.00737.35 O ATOM 41990 C3* A 02003 194.230 72.090 90.301 1.00737.35 C ATOM 41991 O3* A 02003 194.996 73.017 91.065 1.00737.35 O ATOM 41992 C2* A 02003 193.922 72.599 88.898 1.00737.35 C ATOM 41993 O2* A 02003 195.002 73.297 88.309 1.00737.35 O ATOM 41994 C1* A 02003 193.681 71.286 88.149 1.00737.35 C ATOM 41995 N9 A 02003 192.272 70.882 88.136 1.00737.35 N ATOM 41996 C8 A 02003 191.595 70.141 89.075 1.00737.35 C ATOM 41997 N7 A 02003 190.333 69.946 88.788 1.00737.35 N ATOM 41998 C5 A 02003 190.164 70.600 87.576 1.00737.35 C ATOM 41999 C6 A 02003 189.046 70.766 86.740 1.00737.35 C ATOM 42000 N6 A 02003 187.838 70.264 87.010 1.00737.35 N ATOM 42001 N1 A 02003 189.212 71.474 85.601 1.00737.35 N ATOM 42002 C2 A 02003 190.423 71.977 85.332 1.00737.35 C ATOM 42003 N3 A 02003 191.548 71.889 86.037 1.00737.35 N ATOM 42004 C4 A 02003 191.350 71.181 87.162 1.00737.35 C ATOM 42005 P U 02004 194.271 74.278 91.750 1.00737.35 P ATOM 42006 O1P U 02004 195.185 74.782 92.807 1.00737.35 O ATOM 42007 O2P U 02004 192.877 73.905 92.106 1.00737.35 O ATOM 42008 O5* U 02004 194.225 75.363 90.584 1.00737.35 O ATOM 42009 C5* U 02004 195.429 75.919 90.066 1.00737.35 C ATOM 42010 C4* U 02004 195.194 77.332 89.589 1.00737.35 C ATOM 42011 O4* U 02004 196.478 77.976 89.376 1.00737.35 O ATOM 42012 C3* U 02004 194.459 77.482 88.266 1.00737.35 C ATOM 42013 O3* U 02004 193.042 77.426 88.444 1.00737.35 O ATOM 42014 C2* U 02004 194.943 78.847 87.786 1.00737.35 C ATOM 42015 O2* U 02004 194.258 79.920 88.400 1.00737.35 O ATOM 42016 C1* U 02004 196.404 78.830 88.244 1.00737.35 C ATOM 42017 N1 U 02004 197.342 78.337 87.221 1.00737.35 N ATOM 42018 C2 U 02004 197.819 79.243 86.284 1.00737.35 C ATOM 42019 O2 U 02004 197.499 80.424 86.271 1.00737.35 O ATOM 42020 N3 U 02004 198.689 78.717 85.361 1.00737.35 N ATOM 42021 C4 U 02004 199.122 77.408 85.277 1.00737.35 C ATOM 42022 O4 U 02004 199.906 77.088 84.382 1.00737.35 O ATOM 42023 C5 U 02004 198.584 76.535 86.276 1.00737.35 C ATOM 42024 C6 U 02004 197.736 77.014 87.190 1.00737.35 C ATOM 42025 P U 02005 192.063 77.764 87.208 1.00737.35 P ATOM 42026 O1P U 02005 192.841 77.663 85.947 1.00737.35 O ATOM 42027 O2P U 02005 191.358 79.028 87.537 1.00737.35 O ATOM 42028 O5* U 02005 190.984 76.589 87.214 1.00737.35 O ATOM 42029 C5* U 02005 190.205 76.313 86.051 1.00737.35 C ATOM 42030 C4* U 02005 188.824 75.834 86.438 1.00737.35 C ATOM 42031 O4* U 02005 188.932 74.595 87.182 1.00737.35 O ATOM 42032 C3* U 02005 188.032 76.753 87.355 1.00737.35 C ATOM 42033 O3* U 02005 187.366 77.767 86.608 1.00737.35 O ATOM 42034 C2* U 02005 187.041 75.790 87.997 1.00737.35 C ATOM 42035 O2* U 02005 185.921 75.520 87.176 1.00737.35 O ATOM 42036 C1* U 02005 187.891 74.525 88.144 1.00737.35 C ATOM 42037 N1 U 02005 188.490 74.362 89.479 1.00737.35 N ATOM 42038 C2 U 02005 187.827 73.558 90.392 1.00737.35 C ATOM 42039 O2 U 02005 186.776 72.987 90.140 1.00737.35 O ATOM 42040 N3 U 02005 188.435 73.450 91.618 1.00737.35 N ATOM 42041 C4 U 02005 189.612 74.047 92.018 1.00737.35 C ATOM 42042 O4 U 02005 190.038 73.846 93.159 1.00737.35 O ATOM 42043 C5 U 02005 190.238 74.862 91.022 1.00737.35 C ATOM 42044 C6 U 02005 189.673 74.988 89.819 1.00737.35 C ATOM 42045 P G 02006 187.737 79.313 86.844 1.00737.35 P ATOM 42046 O1P G 02006 188.332 79.817 85.580 1.00737.35 O ATOM 42047 O2P G 02006 188.497 79.448 88.114 1.00737.35 O ATOM 42048 O5* G 02006 186.326 80.028 87.045 1.00737.35 O ATOM 42049 C5* G 02006 185.305 79.942 86.055 1.00737.35 C ATOM 42050 C4* G 02006 184.490 81.215 86.047 1.00737.35 C ATOM 42051 O4* G 02006 185.359 82.326 85.702 1.00737.35 O ATOM 42052 C3* G 02006 183.365 81.290 85.027 1.00737.35 C ATOM 42053 O3* G 02006 182.180 80.676 85.527 1.00737.35 O ATOM 42054 C2* G 02006 183.189 82.795 84.863 1.00737.35 C ATOM 42055 O2* G 02006 182.449 83.381 85.916 1.00737.35 O ATOM 42056 C1* G 02006 184.641 83.276 84.930 1.00737.35 C ATOM 42057 N9 G 02006 185.273 83.383 83.616 1.00737.35 N ATOM 42058 C8 G 02006 186.159 82.500 83.041 1.00737.35 C ATOM 42059 N7 G 02006 186.550 82.871 81.853 1.00737.35 N ATOM 42060 C5 G 02006 185.889 84.072 81.628 1.00737.35 C ATOM 42061 C6 G 02006 185.921 84.943 80.510 1.00737.35 C ATOM 42062 O6 G 02006 186.562 84.828 79.459 1.00737.35 O ATOM 42063 N1 G 02006 185.096 86.048 80.700 1.00737.35 N ATOM 42064 C2 G 02006 184.339 86.287 81.821 1.00737.35 C ATOM 42065 N2 G 02006 183.605 87.410 81.814 1.00737.35 N ATOM 42066 N3 G 02006 184.303 85.481 82.872 1.00737.35 N ATOM 42067 C4 G 02006 185.096 84.403 82.708 1.00737.35 C ATOM 42068 P G 02007 181.060 80.142 84.501 1.00737.35 P ATOM 42069 O1P G 02007 179.959 79.568 85.317 1.00737.35 O ATOM 42070 O2P G 02007 181.722 79.302 83.472 1.00737.35 O ATOM 42071 O5* G 02007 180.521 81.463 83.791 1.00737.35 O ATOM 42072 C5* G 02007 179.696 82.390 84.497 1.00737.35 C ATOM 42073 C4* G 02007 179.288 83.531 83.595 1.00737.35 C ATOM 42074 O4* G 02007 180.466 84.283 83.197 1.00737.35 O ATOM 42075 C3* G 02007 178.635 83.150 82.274 1.00737.35 C ATOM 42076 O3* G 02007 177.242 82.889 82.441 1.00737.35 O ATOM 42077 C2* G 02007 178.882 84.390 81.424 1.00737.35 C ATOM 42078 O2* G 02007 177.962 85.433 81.681 1.00737.35 O ATOM 42079 C1* G 02007 180.278 84.806 81.892 1.00737.35 C ATOM 42080 N9 G 02007 181.348 84.311 81.028 1.00737.35 N ATOM 42081 C8 G 02007 182.120 83.188 81.214 1.00737.35 C ATOM 42082 N7 G 02007 182.998 83.006 80.264 1.00737.35 N ATOM 42083 C5 G 02007 182.794 84.073 79.399 1.00737.35 C ATOM 42084 C6 G 02007 183.453 84.412 78.185 1.00737.35 C ATOM 42085 O6 G 02007 184.378 83.818 77.617 1.00737.35 O ATOM 42086 N1 G 02007 182.931 85.575 77.630 1.00737.35 N ATOM 42087 C2 G 02007 181.911 86.320 78.169 1.00737.35 C ATOM 42088 N2 G 02007 181.549 87.413 77.480 1.00737.35 N ATOM 42089 N3 G 02007 181.290 86.017 79.297 1.00737.35 N ATOM 42090 C4 G 02007 181.780 84.888 79.855 1.00737.35 C ATOM 42091 P C 02008 176.464 81.992 81.357 1.00737.35 P ATOM 42092 O1P C 02008 175.087 81.777 81.871 1.00737.35 O ATOM 42093 O2P C 02008 177.311 80.817 81.017 1.00737.35 O ATOM 42094 O5* C 02008 176.377 82.930 80.072 1.00737.35 O ATOM 42095 C5* C 02008 175.577 84.112 80.077 1.00737.35 C ATOM 42096 C4* C 02008 175.694 84.837 78.757 1.00737.35 C ATOM 42097 O4* C 02008 177.064 85.275 78.569 1.00737.35 O ATOM 42098 C3* C 02008 175.383 84.021 77.511 1.00737.35 C ATOM 42099 O3* C 02008 173.982 83.996 77.255 1.00737.35 O ATOM 42100 C2* C 02008 176.144 84.782 76.431 1.00737.35 C ATOM 42101 O2* C 02008 175.449 85.918 75.956 1.00737.35 O ATOM 42102 C1* C 02008 177.396 85.225 77.192 1.00737.35 C ATOM 42103 N1 C 02008 178.554 84.322 77.016 1.00737.35 N ATOM 42104 C2 C 02008 179.396 84.507 75.908 1.00737.35 C ATOM 42105 O2 C 02008 179.147 85.420 75.102 1.00737.35 O ATOM 42106 N3 C 02008 180.458 83.683 75.741 1.00737.35 N ATOM 42107 C4 C 02008 180.694 82.711 76.627 1.00737.35 C ATOM 42108 N4 C 02008 181.752 81.925 76.423 1.00737.35 N ATOM 42109 C5 C 02008 179.854 82.500 77.760 1.00737.35 C ATOM 42110 C6 C 02008 178.807 83.322 77.914 1.00737.35 C ATOM 42111 P U 02009 173.345 82.784 76.404 1.00737.35 P ATOM 42112 O1P U 02009 171.870 82.961 76.426 1.00737.35 O ATOM 42113 O2P U 02009 173.937 81.508 76.880 1.00737.35 O ATOM 42114 O5* U 02009 173.856 83.048 74.918 1.00737.35 O ATOM 42115 C5* U 02009 173.397 84.174 74.167 1.00737.35 C ATOM 42116 C4* U 02009 174.202 84.326 72.897 1.00737.35 C ATOM 42117 O4* U 02009 175.591 84.575 73.242 1.00737.35 O ATOM 42118 C3* U 02009 174.248 83.105 71.991 1.00737.35 C ATOM 42119 O3* U 02009 173.117 83.069 71.125 1.00737.35 O ATOM 42120 C2* U 02009 175.548 83.322 71.223 1.00737.35 C ATOM 42121 O2* U 02009 175.413 84.231 70.149 1.00737.35 O ATOM 42122 C1* U 02009 176.441 83.925 72.308 1.00737.35 C ATOM 42123 N1 U 02009 177.248 82.924 73.028 1.00737.35 N ATOM 42124 C2 U 02009 178.509 82.623 72.531 1.00737.35 C ATOM 42125 O2 U 02009 178.977 83.153 71.534 1.00737.35 O ATOM 42126 N3 U 02009 179.203 81.681 73.250 1.00737.35 N ATOM 42127 C4 U 02009 178.779 81.021 74.386 1.00737.35 C ATOM 42128 O4 U 02009 179.525 80.202 74.923 1.00737.35 O ATOM 42129 C5 U 02009 177.472 81.384 74.834 1.00737.35 C ATOM 42130 C6 U 02009 176.769 82.297 74.160 1.00737.35 C ATOM 42131 P G 02010 172.597 81.660 70.549 1.00737.35 P ATOM 42132 O1P G 02010 171.339 81.928 69.803 1.00737.35 O ATOM 42133 O2P G 02010 172.593 80.667 71.654 1.00737.35 O ATOM 42134 O5* G 02010 173.718 81.233 69.498 1.00737.35 O ATOM 42135 C5* G 02010 173.901 81.960 68.284 1.00737.35 C ATOM 42136 C4* G 02010 175.149 81.491 67.571 1.00737.35 C ATOM 42137 O4* G 02010 176.305 81.752 68.413 1.00737.35 O ATOM 42138 C3* G 02010 175.228 80.002 67.273 1.00737.35 C ATOM 42139 O3* G 02010 174.559 79.687 66.053 1.00737.35 O ATOM 42140 C2* G 02010 176.732 79.774 67.162 1.00737.35 C ATOM 42141 O2* G 02010 177.258 80.144 65.902 1.00737.35 O ATOM 42142 C1* G 02010 177.262 80.719 68.242 1.00737.35 C ATOM 42143 N9 G 02010 177.478 80.067 69.532 1.00737.35 N ATOM 42144 C8 G 02010 176.669 80.134 70.643 1.00737.35 C ATOM 42145 N7 G 02010 177.128 79.441 71.652 1.00737.35 N ATOM 42146 C5 G 02010 178.308 78.885 71.182 1.00737.35 C ATOM 42147 C6 G 02010 179.243 78.037 71.828 1.00737.35 C ATOM 42148 O6 G 02010 179.213 77.594 72.984 1.00737.35 O ATOM 42149 N1 G 02010 180.298 77.705 70.984 1.00737.35 N ATOM 42150 C2 G 02010 180.440 78.133 69.688 1.00737.35 C ATOM 42151 N2 G 02010 181.533 77.702 69.036 1.00737.35 N ATOM 42152 N3 G 02010 179.575 78.924 69.073 1.00737.35 N ATOM 42153 C4 G 02010 178.540 79.259 69.876 1.00737.35 C ATOM 42154 P U 02011 173.886 78.239 65.860 1.00737.35 P ATOM 42155 O1P U 02011 173.321 78.197 64.486 1.00737.35 O ATOM 42156 O2P U 02011 173.001 77.975 67.024 1.00737.35 O ATOM 42157 O5* U 02011 175.112 77.222 65.926 1.00737.35 O ATOM 42158 C5* U 02011 176.140 77.242 64.937 1.00737.35 C ATOM 42159 C4* U 02011 177.338 76.452 65.407 1.00737.35 C ATOM 42160 O4* U 02011 177.850 77.049 66.629 1.00737.35 O ATOM 42161 C3* U 02011 177.077 75.000 65.776 1.00737.35 C ATOM 42162 O3* U 02011 177.125 74.160 64.626 1.00737.35 O ATOM 42163 C2* U 02011 178.211 74.703 66.751 1.00737.35 C ATOM 42164 O2* U 02011 179.436 74.416 66.106 1.00737.35 O ATOM 42165 C1* U 02011 178.317 76.032 67.503 1.00737.35 C ATOM 42166 N1 U 02011 177.520 76.070 68.741 1.00737.35 N ATOM 42167 C2 U 02011 178.095 75.563 69.898 1.00737.35 C ATOM 42168 O2 U 02011 179.224 75.094 69.932 1.00737.35 O ATOM 42169 N3 U 02011 177.300 75.626 71.016 1.00737.35 N ATOM 42170 C4 U 02011 176.019 76.129 71.098 1.00737.35 C ATOM 42171 O4 U 02011 175.434 76.117 72.183 1.00737.35 O ATOM 42172 C5 U 02011 175.494 76.634 69.868 1.00737.35 C ATOM 42173 C6 U 02011 176.241 76.588 68.761 1.00737.35 C ATOM 42174 P A 02012 176.505 72.678 64.692 1.00737.35 P ATOM 42175 O1P A 02012 176.478 72.149 63.304 1.00737.35 O ATOM 42176 O2P A 02012 175.246 72.723 65.480 1.00737.35 O ATOM 42177 O5* A 02012 177.583 71.847 65.527 1.00737.35 O ATOM 42178 C5* A 02012 178.785 71.380 64.916 1.00737.35 C ATOM 42179 C4* A 02012 179.580 70.539 65.890 1.00737.35 C ATOM 42180 O4* A 02012 180.066 71.373 66.972 1.00737.35 O ATOM 42181 C3* A 02012 178.810 69.427 66.586 1.00737.35 C ATOM 42182 O3* A 02012 178.751 68.259 65.771 1.00737.35 O ATOM 42183 C2* A 02012 179.638 69.197 67.844 1.00737.35 C ATOM 42184 O2* A 02012 180.769 68.376 67.624 1.00737.35 O ATOM 42185 C1* A 02012 180.094 70.621 68.176 1.00737.35 C ATOM 42186 N9 A 02012 179.249 71.295 69.166 1.00737.35 N ATOM 42187 C8 A 02012 178.152 72.092 68.937 1.00737.35 C ATOM 42188 N7 A 02012 177.601 72.558 70.032 1.00737.35 N ATOM 42189 C5 A 02012 178.386 72.034 71.048 1.00737.35 C ATOM 42190 C6 A 02012 178.324 72.156 72.448 1.00737.35 C ATOM 42191 N6 A 02012 177.398 72.875 73.088 1.00737.35 N ATOM 42192 N1 A 02012 179.258 71.508 73.177 1.00737.35 N ATOM 42193 C2 A 02012 180.184 70.789 72.535 1.00737.35 C ATOM 42194 N3 A 02012 180.347 70.599 71.228 1.00737.35 N ATOM 42195 C4 A 02012 179.404 71.256 70.531 1.00737.35 C ATOM 42196 P A 02013 177.328 67.588 65.441 1.00737.35 P ATOM 42197 O1P A 02013 177.595 66.344 64.675 1.00737.35 O ATOM 42198 O2P A 02013 176.443 68.631 64.862 1.00737.35 O ATOM 42199 O5* A 02013 176.756 67.170 66.869 1.00737.35 O ATOM 42200 C5* A 02013 175.351 67.100 67.105 1.00737.35 C ATOM 42201 C4* A 02013 175.052 66.138 68.234 1.00737.35 C ATOM 42202 O4* A 02013 175.440 64.798 67.836 1.00737.35 O ATOM 42203 C3* A 02013 175.814 66.378 69.528 1.00737.35 C ATOM 42204 O3* A 02013 175.144 67.341 70.339 1.00737.35 O ATOM 42205 C2* A 02013 175.772 65.003 70.186 1.00737.35 C ATOM 42206 O2* A 02013 174.553 64.759 70.859 1.00737.35 O ATOM 42207 C1* A 02013 175.879 64.075 68.973 1.00737.35 C ATOM 42208 N9 A 02013 177.233 63.582 68.723 1.00737.35 N ATOM 42209 C8 A 02013 178.236 64.171 67.989 1.00737.35 C ATOM 42210 N7 A 02013 179.342 63.470 67.948 1.00737.35 N ATOM 42211 C5 A 02013 179.050 62.342 68.704 1.00737.35 C ATOM 42212 C6 A 02013 179.809 61.208 69.043 1.00737.35 C ATOM 42213 N6 A 02013 181.069 61.013 68.646 1.00737.35 N ATOM 42214 N1 A 02013 179.222 60.266 69.812 1.00737.35 N ATOM 42215 C2 A 02013 177.959 60.462 70.210 1.00737.35 C ATOM 42216 N3 A 02013 177.144 61.482 69.955 1.00737.35 N ATOM 42217 C4 A 02013 177.756 62.400 69.188 1.00737.35 C ATOM 42218 P A 02014 175.785 68.801 70.549 1.00737.35 P ATOM 42219 O1P A 02014 177.215 68.754 70.144 1.00737.35 O ATOM 42220 O2P A 02014 175.426 69.263 71.914 1.00737.35 O ATOM 42221 O5* A 02014 175.005 69.704 69.493 1.00737.35 O ATOM 42222 C5* A 02014 174.988 71.123 69.608 1.00737.35 C ATOM 42223 C4* A 02014 173.577 71.641 69.460 1.00737.35 C ATOM 42224 O4* A 02014 173.070 71.265 68.151 1.00737.35 O ATOM 42225 C3* A 02014 172.567 71.061 70.438 1.00737.35 C ATOM 42226 O3* A 02014 172.581 71.768 71.676 1.00737.35 O ATOM 42227 C2* A 02014 171.256 71.222 69.680 1.00737.35 C ATOM 42228 O2* A 02014 170.730 72.533 69.748 1.00737.35 O ATOM 42229 C1* A 02014 171.700 70.907 68.250 1.00737.35 C ATOM 42230 N9 A 02014 171.570 69.490 67.906 1.00737.35 N ATOM 42231 C8 A 02014 172.349 68.442 68.341 1.00737.35 C ATOM 42232 N7 A 02014 171.983 67.277 67.869 1.00737.35 N ATOM 42233 C5 A 02014 170.890 67.574 67.064 1.00737.35 C ATOM 42234 C6 A 02014 170.047 66.766 66.280 1.00737.35 C ATOM 42235 N6 A 02014 170.178 65.442 66.178 1.00737.35 N ATOM 42236 N1 A 02014 169.053 67.373 65.598 1.00737.35 N ATOM 42237 C2 A 02014 168.921 68.702 65.706 1.00737.35 C ATOM 42238 N3 A 02014 169.648 69.567 66.409 1.00737.35 N ATOM 42239 C4 A 02014 170.627 68.931 67.075 1.00737.35 C ATOM 42240 P G 02015 172.015 71.058 73.006 1.00737.35 P ATOM 42241 O1P G 02015 172.435 69.634 72.977 1.00737.35 O ATOM 42242 O2P G 02015 170.573 71.395 73.129 1.00737.35 O ATOM 42243 O5* G 02015 172.800 71.767 74.201 1.00737.35 O ATOM 42244 C5* G 02015 172.957 73.185 74.253 1.00737.35 C ATOM 42245 C4* G 02015 173.150 73.636 75.685 1.00737.35 C ATOM 42246 O4* G 02015 171.932 73.366 76.431 1.00737.35 O ATOM 42247 C3* G 02015 174.252 72.920 76.454 1.00737.35 C ATOM 42248 O3* G 02015 175.576 73.402 76.153 1.00737.35 O ATOM 42249 C2* G 02015 173.764 72.950 77.902 1.00737.35 C ATOM 42250 O2* G 02015 174.080 74.107 78.647 1.00737.35 O ATOM 42251 C1* G 02015 172.248 72.848 77.714 1.00737.35 C ATOM 42252 N9 G 02015 171.707 71.491 77.797 1.00737.35 N ATOM 42253 C8 G 02015 171.978 70.439 76.955 1.00737.35 C ATOM 42254 N7 G 02015 171.335 69.348 77.274 1.00737.35 N ATOM 42255 C5 G 02015 170.594 69.699 78.395 1.00737.35 C ATOM 42256 C6 G 02015 169.698 68.927 79.183 1.00737.35 C ATOM 42257 O6 G 02015 169.368 67.743 79.040 1.00737.35 O ATOM 42258 N1 G 02015 169.165 69.675 80.227 1.00737.35 N ATOM 42259 C2 G 02015 169.453 70.992 80.485 1.00737.35 C ATOM 42260 N2 G 02015 168.833 71.535 81.542 1.00737.35 N ATOM 42261 N3 G 02015 170.284 71.723 79.757 1.00737.35 N ATOM 42262 C4 G 02015 170.815 71.018 78.735 1.00737.35 C ATOM 42263 P A 02016 176.008 74.927 76.475 1.00737.35 P ATOM 42264 O1P A 02016 174.939 75.649 77.205 1.00737.35 O ATOM 42265 O2P A 02016 176.513 75.488 75.196 1.00737.35 O ATOM 42266 O5* A 02016 177.276 74.786 77.433 1.00737.35 O ATOM 42267 C5* A 02016 177.263 73.929 78.574 1.00737.35 C ATOM 42268 C4* A 02016 178.671 73.481 78.912 1.00737.35 C ATOM 42269 O4* A 02016 179.202 72.706 77.806 1.00737.35 O ATOM 42270 C3* A 02016 179.688 74.595 79.128 1.00737.35 C ATOM 42271 O3* A 02016 179.668 75.038 80.483 1.00737.35 O ATOM 42272 C2* A 02016 181.008 73.909 78.789 1.00737.35 C ATOM 42273 O2* A 02016 181.534 73.148 79.857 1.00737.35 O ATOM 42274 C1* A 02016 180.586 72.977 77.649 1.00737.35 C ATOM 42275 N9 A 02016 180.797 73.535 76.313 1.00737.35 N ATOM 42276 C8 A 02016 179.947 74.344 75.596 1.00737.35 C ATOM 42277 N7 A 02016 180.408 74.680 74.416 1.00737.35 N ATOM 42278 C5 A 02016 181.645 74.055 74.351 1.00737.35 C ATOM 42279 C6 A 02016 182.635 74.019 73.353 1.00737.35 C ATOM 42280 N6 A 02016 182.525 74.645 72.179 1.00737.35 N ATOM 42281 N1 A 02016 183.755 73.305 73.602 1.00737.35 N ATOM 42282 C2 A 02016 183.861 72.674 74.777 1.00737.35 C ATOM 42283 N3 A 02016 183.001 72.630 75.793 1.00737.35 N ATOM 42284 C4 A 02016 181.900 73.349 75.513 1.00737.35 C ATOM 42285 P U 02017 179.860 76.599 80.820 1.00737.35 P ATOM 42286 O1P U 02017 179.626 76.761 82.277 1.00737.35 O ATOM 42287 O2P U 02017 179.055 77.395 79.857 1.00737.35 O ATOM 42288 O5* U 02017 181.403 76.881 80.539 1.00737.35 O ATOM 42289 C5* U 02017 181.918 78.212 80.578 1.00737.35 C ATOM 42290 C4* U 02017 183.370 78.209 81.004 1.00737.35 C ATOM 42291 O4* U 02017 183.484 77.625 82.326 1.00737.35 O ATOM 42292 C3* U 02017 184.324 77.389 80.151 1.00737.35 C ATOM 42293 O3* U 02017 184.750 78.137 79.016 1.00737.35 O ATOM 42294 C2* U 02017 185.475 77.128 81.117 1.00737.35 C ATOM 42295 O2* U 02017 186.374 78.216 81.217 1.00737.35 O ATOM 42296 C1* U 02017 184.732 76.958 82.444 1.00737.35 C ATOM 42297 N1 U 02017 184.485 75.551 82.815 1.00737.35 N ATOM 42298 C2 U 02017 185.482 74.885 83.517 1.00737.35 C ATOM 42299 O2 U 02017 186.539 75.408 83.834 1.00737.35 O ATOM 42300 N3 U 02017 185.193 73.581 83.834 1.00737.35 N ATOM 42301 C4 U 02017 184.039 72.887 83.530 1.00737.35 C ATOM 42302 O4 U 02017 183.927 71.716 83.897 1.00737.35 O ATOM 42303 C5 U 02017 183.064 73.637 82.803 1.00737.35 C ATOM 42304 C6 U 02017 183.314 74.910 82.477 1.00737.35 C ATOM 42305 P G 02018 185.197 77.372 77.673 1.00737.35 P ATOM 42306 O1P G 02018 185.518 78.415 76.666 1.00737.35 O ATOM 42307 O2P G 02018 184.182 76.331 77.359 1.00737.35 O ATOM 42308 O5* G 02018 186.554 76.641 78.075 1.00737.35 O ATOM 42309 C5* G 02018 187.664 77.382 78.568 1.00737.35 C ATOM 42310 C4* G 02018 188.853 76.476 78.777 1.00737.35 C ATOM 42311 O4* G 02018 188.500 75.433 79.722 1.00737.35 O ATOM 42312 C3* G 02018 189.343 75.721 77.551 1.00737.35 C ATOM 42313 O3* G 02018 190.193 76.561 76.772 1.00737.35 O ATOM 42314 C2* G 02018 190.067 74.534 78.179 1.00737.35 C ATOM 42315 O2* G 02018 191.367 74.854 78.632 1.00737.35 O ATOM 42316 C1* G 02018 189.163 74.229 79.376 1.00737.35 C ATOM 42317 N9 G 02018 188.147 73.208 79.122 1.00737.35 N ATOM 42318 C8 G 02018 187.269 73.149 78.062 1.00737.35 C ATOM 42319 N7 G 02018 186.476 72.113 78.112 1.00737.35 N ATOM 42320 C5 G 02018 186.851 71.446 79.271 1.00737.35 C ATOM 42321 C6 G 02018 186.345 70.253 79.851 1.00737.35 C ATOM 42322 O6 G 02018 185.436 69.521 79.439 1.00737.35 O ATOM 42323 N1 G 02018 187.011 69.936 81.029 1.00737.35 N ATOM 42324 C2 G 02018 188.031 70.668 81.583 1.00737.35 C ATOM 42325 N2 G 02018 188.541 70.199 82.730 1.00737.35 N ATOM 42326 N3 G 02018 188.514 71.780 81.053 1.00737.35 N ATOM 42327 C4 G 02018 187.881 72.108 79.906 1.00737.35 C ATOM 42328 P C 02019 190.854 76.017 75.405 1.00737.35 P ATOM 42329 O1P C 02019 192.021 75.185 75.792 1.00737.35 O ATOM 42330 O2P C 02019 191.053 77.178 74.503 1.00737.35 O ATOM 42331 O5* C 02019 189.771 75.049 74.741 1.00737.35 O ATOM 42332 C5* C 02019 188.394 75.412 74.629 1.00737.35 C ATOM 42333 C4* C 02019 188.011 75.579 73.174 1.00737.35 C ATOM 42334 O4* C 02019 186.622 75.205 72.986 1.00737.35 O ATOM 42335 C3* C 02019 188.112 76.994 72.625 1.00737.35 C ATOM 42336 O3* C 02019 189.433 77.299 72.193 1.00737.35 O ATOM 42337 C2* C 02019 187.123 76.969 71.463 1.00737.35 C ATOM 42338 O2* C 02019 187.669 76.417 70.281 1.00737.35 O ATOM 42339 C1* C 02019 186.028 76.046 72.008 1.00737.35 C ATOM 42340 N1 C 02019 184.883 76.748 72.624 1.00737.35 N ATOM 42341 C2 C 02019 183.902 77.321 71.791 1.00737.35 C ATOM 42342 O2 C 02019 184.028 77.243 70.557 1.00737.35 O ATOM 42343 N3 C 02019 182.843 77.943 72.358 1.00737.35 N ATOM 42344 C4 C 02019 182.737 78.008 73.687 1.00737.35 C ATOM 42345 N4 C 02019 181.667 78.618 74.198 1.00737.35 N ATOM 42346 C5 C 02019 183.717 77.447 74.550 1.00737.35 C ATOM 42347 C6 C 02019 184.764 76.835 73.983 1.00737.35 C ATOM 42348 P G 02020 189.941 78.824 72.195 1.00737.35 P ATOM 42349 O1P G 02020 191.364 78.818 71.765 1.00737.35 O ATOM 42350 O2P G 02020 189.576 79.438 73.496 1.00737.35 O ATOM 42351 O5* G 02020 189.074 79.522 71.057 1.00737.35 O ATOM 42352 C5* G 02020 189.359 79.306 69.676 1.00737.35 C ATOM 42353 C4* G 02020 188.389 80.079 68.810 1.00737.35 C ATOM 42354 O4* G 02020 187.049 79.556 69.005 1.00737.35 O ATOM 42355 C3* G 02020 188.267 81.562 69.118 1.00737.35 C ATOM 42356 O3* G 02020 189.290 82.312 68.469 1.00737.35 O ATOM 42357 C2* G 02020 186.881 81.890 68.571 1.00737.35 C ATOM 42358 O2* G 02020 186.868 82.085 67.171 1.00737.35 O ATOM 42359 C1* G 02020 186.107 80.616 68.927 1.00737.35 C ATOM 42360 N9 G 02020 185.400 80.702 70.202 1.00737.35 N ATOM 42361 C8 G 02020 185.940 80.576 71.460 1.00737.35 C ATOM 42362 N7 G 02020 185.058 80.709 72.413 1.00737.35 N ATOM 42363 C5 G 02020 183.863 80.936 71.745 1.00737.35 C ATOM 42364 C6 G 02020 182.555 81.155 72.252 1.00737.35 C ATOM 42365 O6 G 02020 182.181 81.200 73.430 1.00737.35 O ATOM 42366 N1 G 02020 181.635 81.339 71.227 1.00737.35 N ATOM 42367 C2 G 02020 181.929 81.315 69.886 1.00737.35 C ATOM 42368 N2 G 02020 180.899 81.512 69.054 1.00737.35 N ATOM 42369 N3 G 02020 183.144 81.114 69.400 1.00737.35 N ATOM 42370 C4 G 02020 184.056 80.932 70.380 1.00737.35 C ATOM 42371 P G 02021 189.976 83.550 69.231 1.00737.35 P ATOM 42372 O1P G 02021 191.038 84.080 68.338 1.00737.35 O ATOM 42373 O2P G 02021 190.328 83.120 70.609 1.00737.35 O ATOM 42374 O5* G 02021 188.813 84.635 69.330 1.00737.35 O ATOM 42375 C5* G 02021 188.406 85.381 68.184 1.00737.35 C ATOM 42376 C4* G 02021 187.209 86.244 68.515 1.00737.35 C ATOM 42377 O4* G 02021 186.079 85.395 68.849 1.00737.35 O ATOM 42378 C3* G 02021 187.360 87.159 69.721 1.00737.35 C ATOM 42379 O3* G 02021 188.018 88.371 69.370 1.00737.35 O ATOM 42380 C2* G 02021 185.909 87.392 70.130 1.00737.35 C ATOM 42381 O2* G 02021 185.264 88.382 69.353 1.00737.35 O ATOM 42382 C1* G 02021 185.287 86.023 69.843 1.00737.35 C ATOM 42383 N9 G 02021 185.239 85.154 71.016 1.00737.35 N ATOM 42384 C8 G 02021 186.204 84.271 71.439 1.00737.35 C ATOM 42385 N7 G 02021 185.877 83.636 72.531 1.00737.35 N ATOM 42386 C5 G 02021 184.619 84.127 72.852 1.00737.35 C ATOM 42387 C6 G 02021 183.760 83.812 73.934 1.00737.35 C ATOM 42388 O6 G 02021 183.942 83.011 74.855 1.00737.35 O ATOM 42389 N1 G 02021 182.577 84.546 73.877 1.00737.35 N ATOM 42390 C2 G 02021 182.262 85.464 72.907 1.00737.35 C ATOM 42391 N2 G 02021 181.070 86.067 73.030 1.00737.35 N ATOM 42392 N3 G 02021 183.055 85.765 71.892 1.00737.35 N ATOM 42393 C4 G 02021 184.210 85.065 71.927 1.00737.35 C ATOM 42394 P C 02022 188.799 89.212 70.496 1.00737.35 P ATOM 42395 O1P C 02022 189.526 90.307 69.802 1.00737.35 O ATOM 42396 O2P C 02022 189.553 88.267 71.358 1.00737.35 O ATOM 42397 O5* C 02022 187.635 89.861 71.369 1.00737.35 O ATOM 42398 C5* C 02022 186.753 90.831 70.808 1.00737.35 C ATOM 42399 C4* C 02022 185.580 91.077 71.728 1.00737.35 C ATOM 42400 O4* C 02022 184.830 89.845 71.891 1.00737.35 O ATOM 42401 C3* C 02022 185.923 91.495 73.151 1.00737.35 C ATOM 42402 O3* C 02022 186.156 92.899 73.233 1.00737.35 O ATOM 42403 C2* C 02022 184.672 91.082 73.916 1.00737.35 C ATOM 42404 O2* C 02022 183.611 92.010 73.794 1.00737.35 O ATOM 42405 C1* C 02022 184.299 89.777 73.206 1.00737.35 C ATOM 42406 N1 C 02022 184.831 88.573 73.874 1.00737.35 N ATOM 42407 C2 C 02022 184.070 87.966 74.887 1.00737.35 C ATOM 42408 O2 C 02022 182.967 88.453 75.194 1.00737.35 O ATOM 42409 N3 C 02022 184.553 86.864 75.506 1.00737.35 N ATOM 42410 C4 C 02022 185.741 86.366 75.153 1.00737.35 C ATOM 42411 N4 C 02022 186.174 85.277 75.793 1.00737.35 N ATOM 42412 C5 C 02022 186.533 86.959 74.129 1.00737.35 C ATOM 42413 C6 C 02022 186.048 88.049 73.523 1.00737.35 C ATOM 42414 P C 02023 187.040 93.490 74.438 1.00737.35 P ATOM 42415 O1P C 02023 187.233 94.939 74.172 1.00737.35 O ATOM 42416 O2P C 02023 188.228 92.618 74.628 1.00737.35 O ATOM 42417 O5* C 02023 186.103 93.337 75.718 1.00737.35 O ATOM 42418 C5* C 02023 184.891 94.082 75.831 1.00737.35 C ATOM 42419 C4* C 02023 184.085 93.599 77.017 1.00737.35 C ATOM 42420 O4* C 02023 183.717 92.210 76.814 1.00737.35 O ATOM 42421 C3* C 02023 184.803 93.608 78.359 1.00737.35 C ATOM 42422 O3* C 02023 184.730 94.896 78.967 1.00737.35 O ATOM 42423 C2* C 02023 184.025 92.562 79.149 1.00737.35 C ATOM 42424 O2* C 02023 182.823 93.059 79.701 1.00737.35 O ATOM 42425 C1* C 02023 183.706 91.531 78.062 1.00737.35 C ATOM 42426 N1 C 02023 184.665 90.409 78.002 1.00737.35 N ATOM 42427 C2 C 02023 184.452 89.287 78.822 1.00737.35 C ATOM 42428 O2 C 02023 183.466 89.267 79.578 1.00737.35 O ATOM 42429 N3 C 02023 185.325 88.255 78.768 1.00737.35 N ATOM 42430 C4 C 02023 186.375 88.309 77.947 1.00737.35 C ATOM 42431 N4 C 02023 187.210 87.266 77.929 1.00737.35 N ATOM 42432 C5 C 02023 186.618 89.434 77.106 1.00737.35 C ATOM 42433 C6 C 02023 185.748 90.450 77.163 1.00737.35 C ATOM 42434 P U 02024 185.910 95.391 79.938 1.00737.35 P ATOM 42435 O1P U 02024 185.660 96.825 80.238 1.00737.35 O ATOM 42436 O2P U 02024 187.211 94.986 79.348 1.00737.35 O ATOM 42437 O5* U 02024 185.689 94.555 81.277 1.00737.35 O ATOM 42438 C5* U 02024 184.538 94.766 82.095 1.00737.35 C ATOM 42439 C4* U 02024 184.403 93.655 83.110 1.00737.35 C ATOM 42440 O4* U 02024 184.239 92.392 82.410 1.00737.35 O ATOM 42441 C3* U 02024 185.606 93.431 84.016 1.00737.35 C ATOM 42442 O3* U 02024 185.561 94.299 85.147 1.00737.35 O ATOM 42443 C2* U 02024 185.444 91.969 84.413 1.00737.35 C ATOM 42444 O2* U 02024 184.505 91.775 85.452 1.00737.35 O ATOM 42445 C1* U 02024 184.913 91.361 83.114 1.00737.35 C ATOM 42446 N1 U 02024 185.970 90.814 82.246 1.00737.35 N ATOM 42447 C2 U 02024 186.333 89.487 82.424 1.00737.35 C ATOM 42448 O2 U 02024 185.818 88.758 83.257 1.00737.35 O ATOM 42449 N3 U 02024 187.327 89.042 81.585 1.00737.35 N ATOM 42450 C4 U 02024 187.979 89.768 80.610 1.00737.35 C ATOM 42451 O4 U 02024 188.854 89.222 79.934 1.00737.35 O ATOM 42452 C5 U 02024 187.552 91.125 80.488 1.00737.35 C ATOM 42453 C6 U 02024 186.588 91.591 81.287 1.00737.35 C ATOM 42454 P A 02025 186.923 94.682 85.915 1.00737.35 P ATOM 42455 O1P A 02025 186.577 95.694 86.946 1.00737.35 O ATOM 42456 O2P A 02025 187.964 94.996 84.902 1.00737.35 O ATOM 42457 O5* A 02025 187.341 93.334 86.658 1.00737.35 O ATOM 42458 C5* A 02025 186.550 92.805 87.721 1.00737.35 C ATOM 42459 C4* A 02025 187.153 91.518 88.234 1.00737.35 C ATOM 42460 O4* A 02025 187.155 90.533 87.169 1.00737.35 O ATOM 42461 C3* A 02025 188.604 91.600 88.686 1.00737.35 C ATOM 42462 O3* A 02025 188.677 92.027 90.044 1.00737.35 O ATOM 42463 C2* A 02025 189.078 90.159 88.523 1.00737.35 C ATOM 42464 O2* A 02025 188.716 89.329 89.610 1.00737.35 O ATOM 42465 C1* A 02025 188.315 89.724 87.268 1.00737.35 C ATOM 42466 N9 A 02025 189.079 89.854 86.027 1.00737.35 N ATOM 42467 C8 A 02025 189.112 90.922 85.160 1.00737.35 C ATOM 42468 N7 A 02025 189.892 90.736 84.122 1.00737.35 N ATOM 42469 C5 A 02025 190.409 89.464 84.318 1.00737.35 C ATOM 42470 C6 A 02025 191.304 88.682 83.567 1.00737.35 C ATOM 42471 N6 A 02025 191.856 89.083 82.419 1.00737.35 N ATOM 42472 N1 A 02025 191.617 87.457 84.042 1.00737.35 N ATOM 42473 C2 A 02025 191.063 87.054 85.193 1.00737.35 C ATOM 42474 N3 A 02025 190.210 87.697 85.986 1.00737.35 N ATOM 42475 C4 A 02025 189.920 88.911 85.489 1.00737.35 C ATOM 42476 P C 02026 189.776 93.121 90.485 1.00737.35 P ATOM 42477 O1P C 02026 189.319 93.692 91.777 1.00737.35 O ATOM 42478 O2P C 02026 190.036 94.028 89.337 1.00737.35 O ATOM 42479 O5* C 02026 191.091 92.267 90.772 1.00737.35 O ATOM 42480 C5* C 02026 191.933 91.825 89.708 1.00737.35 C ATOM 42481 C4* C 02026 193.145 91.109 90.261 1.00737.35 C ATOM 42482 O4* C 02026 193.916 92.027 91.081 1.00737.35 O ATOM 42483 C3* C 02026 192.858 89.934 91.182 1.00737.35 C ATOM 42484 O3* C 02026 192.616 88.746 90.432 1.00737.35 O ATOM 42485 C2* C 02026 194.141 89.844 92.002 1.00737.35 C ATOM 42486 O2* C 02026 195.189 89.177 91.324 1.00737.35 O ATOM 42487 C1* C 02026 194.497 91.323 92.173 1.00737.35 C ATOM 42488 N1 C 02026 193.996 91.908 93.437 1.00737.35 N ATOM 42489 C2 C 02026 194.767 91.767 94.606 1.00737.35 C ATOM 42490 O2 C 02026 195.850 91.156 94.555 1.00737.35 O ATOM 42491 N3 C 02026 194.311 92.303 95.764 1.00737.35 N ATOM 42492 C4 C 02026 193.145 92.951 95.788 1.00737.35 C ATOM 42493 N4 C 02026 192.739 93.460 96.952 1.00737.35 N ATOM 42494 C5 C 02026 192.344 93.107 94.618 1.00737.35 C ATOM 42495 C6 C 02026 192.802 92.576 93.477 1.00737.35 C ATOM 42496 P C 02027 191.810 87.527 91.104 1.00737.35 P ATOM 42497 O1P C 02027 191.553 86.528 90.036 1.00737.35 O ATOM 42498 O2P C 02027 190.669 88.083 91.877 1.00737.35 O ATOM 42499 O5* C 02027 192.850 86.903 92.135 1.00737.35 O ATOM 42500 C5* C 02027 194.002 86.195 91.676 1.00737.35 C ATOM 42501 C4* C 02027 194.840 85.735 92.848 1.00737.35 C ATOM 42502 O4* C 02027 195.374 86.892 93.547 1.00737.35 O ATOM 42503 C3* C 02027 194.102 84.954 93.923 1.00737.35 C ATOM 42504 O3* C 02027 194.000 83.576 93.574 1.00737.35 O ATOM 42505 C2* C 02027 194.986 85.171 95.145 1.00737.35 C ATOM 42506 O2* C 02027 196.115 84.319 95.176 1.00737.35 O ATOM 42507 C1* C 02027 195.438 86.621 94.940 1.00737.35 C ATOM 42508 N1 C 02027 194.607 87.610 95.656 1.00737.35 N ATOM 42509 C2 C 02027 194.913 87.912 96.994 1.00737.35 C ATOM 42510 O2 C 02027 195.869 87.340 97.545 1.00737.35 O ATOM 42511 N3 C 02027 194.158 88.823 97.651 1.00737.35 N ATOM 42512 C4 C 02027 193.136 89.418 97.034 1.00737.35 C ATOM 42513 N4 C 02027 192.421 90.309 97.725 1.00737.35 N ATOM 42514 C5 C 02027 192.801 89.127 95.680 1.00737.35 C ATOM 42515 C6 C 02027 193.555 88.228 95.036 1.00737.35 C ATOM 42516 P C 02028 192.783 82.697 94.148 1.00737.35 P ATOM 42517 O1P C 02028 192.891 81.344 93.542 1.00737.35 O ATOM 42518 O2P C 02028 191.523 83.470 93.989 1.00737.35 O ATOM 42519 O5* C 02028 193.099 82.573 95.705 1.00737.35 O ATOM 42520 C5* C 02028 194.250 81.865 96.162 1.00737.35 C ATOM 42521 C4* C 02028 194.453 82.091 97.643 1.00737.35 C ATOM 42522 O4* C 02028 194.713 83.499 97.886 1.00737.35 O ATOM 42523 C3* C 02028 193.263 81.773 98.534 1.00737.35 C ATOM 42524 O3* C 02028 193.203 80.384 98.842 1.00737.35 O ATOM 42525 C2* C 02028 193.552 82.621 99.768 1.00737.35 C ATOM 42526 O2* C 02028 194.500 82.031 100.638 1.00737.35 O ATOM 42527 C1* C 02028 194.149 83.880 99.135 1.00737.35 C ATOM 42528 N1 C 02028 193.154 84.949 98.906 1.00737.35 N ATOM 42529 C2 C 02028 192.766 85.758 99.988 1.00737.35 C ATOM 42530 O2 C 02028 193.266 85.553 101.110 1.00737.35 O ATOM 42531 N3 C 02028 191.858 86.740 99.788 1.00737.35 N ATOM 42532 C4 C 02028 191.339 86.932 98.571 1.00737.35 C ATOM 42533 N4 C 02028 190.447 87.913 98.424 1.00737.35 N ATOM 42534 C5 C 02028 191.711 86.125 97.458 1.00737.35 C ATOM 42535 C6 C 02028 192.612 85.156 97.665 1.00737.35 C ATOM 42536 P G 02029 191.808 79.731 99.313 1.00737.35 P ATOM 42537 O1P G 02029 192.037 78.273 99.472 1.00737.35 O ATOM 42538 O2P G 02029 190.733 80.211 98.406 1.00737.35 O ATOM 42539 O5* G 02029 191.561 80.358 100.756 1.00737.35 O ATOM 42540 C5* G 02029 192.462 80.098 101.830 1.00737.35 C ATOM 42541 C4* G 02029 192.003 80.799 103.089 1.00737.35 C ATOM 42542 O4* G 02029 192.050 82.236 102.897 1.00737.35 O ATOM 42543 C3* G 02029 190.570 80.532 103.516 1.00737.35 C ATOM 42544 O3* G 02029 190.473 79.309 104.238 1.00737.35 O ATOM 42545 C2* G 02029 190.265 81.741 104.393 1.00737.35 C ATOM 42546 O2* G 02029 190.770 81.615 105.709 1.00737.35 O ATOM 42547 C1* G 02029 191.019 82.852 103.659 1.00737.35 C ATOM 42548 N9 G 02029 190.179 83.642 102.763 1.00737.35 N ATOM 42549 C8 G 02029 190.074 83.529 101.396 1.00737.35 C ATOM 42550 N7 G 02029 189.243 84.386 100.871 1.00737.35 N ATOM 42551 C5 G 02029 188.765 85.110 101.955 1.00737.35 C ATOM 42552 C6 G 02029 187.831 86.182 102.008 1.00737.35 C ATOM 42553 O6 G 02029 187.222 86.720 101.075 1.00737.35 O ATOM 42554 N1 G 02029 187.631 86.621 103.311 1.00737.35 N ATOM 42555 C2 G 02029 188.247 86.104 104.423 1.00737.35 C ATOM 42556 N2 G 02029 187.920 86.665 105.596 1.00737.35 N ATOM 42557 N3 G 02029 189.121 85.109 104.389 1.00737.35 N ATOM 42558 C4 G 02029 189.330 84.664 103.132 1.00737.35 C ATOM 42559 P U 02030 189.060 78.549 104.339 1.00737.35 P ATOM 42560 O1P U 02030 189.300 77.253 105.018 1.00737.35 O ATOM 42561 O2P U 02030 188.417 78.565 102.998 1.00737.35 O ATOM 42562 O5* U 02030 188.202 79.474 105.312 1.00737.35 O ATOM 42563 C5* U 02030 188.575 79.640 106.679 1.00737.35 C ATOM 42564 C4* U 02030 187.672 80.646 107.353 1.00737.35 C ATOM 42565 O4* U 02030 187.869 81.957 106.758 1.00737.35 O ATOM 42566 C3* U 02030 186.180 80.395 107.210 1.00737.35 C ATOM 42567 O3* U 02030 185.721 79.447 108.165 1.00737.35 O ATOM 42568 C2* U 02030 185.600 81.782 107.449 1.00737.35 C ATOM 42569 O2* U 02030 185.522 82.118 108.821 1.00737.35 O ATOM 42570 C1* U 02030 186.639 82.669 106.756 1.00737.35 C ATOM 42571 N1 U 02030 186.288 83.003 105.366 1.00737.35 N ATOM 42572 C2 U 02030 185.487 84.120 105.148 1.00737.35 C ATOM 42573 O2 U 02030 185.076 84.831 106.052 1.00737.35 O ATOM 42574 N3 U 02030 185.192 84.372 103.830 1.00737.35 N ATOM 42575 C4 U 02030 185.601 83.645 102.733 1.00737.35 C ATOM 42576 O4 U 02030 185.249 84.003 101.605 1.00737.35 O ATOM 42577 C5 U 02030 186.421 82.513 103.035 1.00737.35 C ATOM 42578 C6 U 02030 186.728 82.237 104.305 1.00737.35 C ATOM 42579 P A 02031 184.439 78.536 107.827 1.00737.35 P ATOM 42580 O1P A 02031 184.267 77.580 108.951 1.00737.35 O ATOM 42581 O2P A 02031 184.581 78.017 106.442 1.00737.35 O ATOM 42582 O5* A 02031 183.225 79.566 107.849 1.00737.35 O ATOM 42583 C5* A 02031 182.732 80.088 109.081 1.00737.35 C ATOM 42584 C4* A 02031 181.545 80.991 108.837 1.00737.35 C ATOM 42585 O4* A 02031 181.971 82.197 108.153 1.00737.35 O ATOM 42586 C3* A 02031 180.448 80.431 107.944 1.00737.35 C ATOM 42587 O3* A 02031 179.581 79.569 108.673 1.00737.35 O ATOM 42588 C2* A 02031 179.745 81.698 107.473 1.00737.35 C ATOM 42589 O2* A 02031 178.824 82.207 108.419 1.00737.35 O ATOM 42590 C1* A 02031 180.920 82.666 107.323 1.00737.35 C ATOM 42591 N9 A 02031 181.417 82.783 105.950 1.00737.35 N ATOM 42592 C8 A 02031 182.436 82.084 105.348 1.00737.35 C ATOM 42593 N7 A 02031 182.641 82.418 104.099 1.00737.35 N ATOM 42594 C5 A 02031 181.695 83.403 103.856 1.00737.35 C ATOM 42595 C6 A 02031 181.392 84.168 102.715 1.00737.35 C ATOM 42596 N6 A 02031 182.039 84.052 101.552 1.00737.35 N ATOM 42597 N1 A 02031 180.389 85.067 102.807 1.00737.35 N ATOM 42598 C2 A 02031 179.739 85.183 103.971 1.00737.35 C ATOM 42599 N3 A 02031 179.930 84.524 105.113 1.00737.35 N ATOM 42600 C4 A 02031 180.934 83.639 104.988 1.00737.35 C ATOM 42601 P G 02032 178.735 78.445 107.893 1.00737.35 P ATOM 42602 O1P G 02032 178.073 77.600 108.920 1.00737.35 O ATOM 42603 O2P G 02032 179.612 77.811 106.874 1.00737.35 O ATOM 42604 O5* G 02032 177.610 79.280 107.132 1.00737.35 O ATOM 42605 C5* G 02032 176.642 80.030 107.862 1.00737.35 C ATOM 42606 C4* G 02032 175.857 80.926 106.934 1.00737.35 C ATOM 42607 O4* G 02032 176.743 81.908 106.338 1.00737.35 O ATOM 42608 C3* G 02032 175.202 80.249 105.742 1.00737.35 C ATOM 42609 O3* G 02032 173.956 79.660 106.111 1.00737.35 O ATOM 42610 C2* G 02032 175.016 81.413 104.774 1.00737.35 C ATOM 42611 O2* G 02032 173.876 82.195 105.061 1.00737.35 O ATOM 42612 C1* G 02032 176.283 82.232 105.036 1.00737.35 C ATOM 42613 N9 G 02032 177.357 81.972 104.077 1.00737.35 N ATOM 42614 C8 G 02032 178.476 81.194 104.264 1.00737.35 C ATOM 42615 N7 G 02032 179.256 81.157 103.217 1.00737.35 N ATOM 42616 C5 G 02032 178.615 81.960 102.283 1.00737.35 C ATOM 42617 C6 G 02032 178.985 82.300 100.954 1.00737.35 C ATOM 42618 O6 G 02032 179.988 81.953 100.320 1.00737.35 O ATOM 42619 N1 G 02032 178.044 83.139 100.362 1.00737.35 N ATOM 42620 C2 G 02032 176.899 83.592 100.966 1.00737.35 C ATOM 42621 N2 G 02032 176.116 84.394 100.226 1.00737.35 N ATOM 42622 N3 G 02032 176.543 83.284 102.202 1.00737.35 N ATOM 42623 C4 G 02032 177.442 82.470 102.798 1.00737.35 C ATOM 42624 P C 02033 173.331 78.485 105.208 1.00737.35 P ATOM 42625 O1P C 02033 172.102 78.009 105.895 1.00737.35 O ATOM 42626 O2P C 02033 174.408 77.515 104.878 1.00737.35 O ATOM 42627 O5* C 02033 172.898 79.225 103.863 1.00737.35 O ATOM 42628 C5* C 02033 171.861 80.205 103.869 1.00737.35 C ATOM 42629 C4* C 02033 171.611 80.712 102.468 1.00737.35 C ATOM 42630 O4* C 02033 172.784 81.419 101.989 1.00737.35 O ATOM 42631 C3* C 02033 171.355 79.643 101.417 1.00737.35 C ATOM 42632 O3* C 02033 169.983 79.253 101.426 1.00737.35 O ATOM 42633 C2* C 02033 171.745 80.359 100.126 1.00737.35 C ATOM 42634 O2* C 02033 170.721 81.191 99.622 1.00737.35 O ATOM 42635 C1* C 02033 172.927 81.216 100.590 1.00737.35 C ATOM 42636 N1 C 02033 174.253 80.617 100.330 1.00737.35 N ATOM 42637 C2 C 02033 174.885 80.866 99.097 1.00737.35 C ATOM 42638 O2 C 02033 174.310 81.575 98.251 1.00737.35 O ATOM 42639 N3 C 02033 176.103 80.331 98.862 1.00737.35 N ATOM 42640 C4 C 02033 176.692 79.573 99.790 1.00737.35 C ATOM 42641 N4 C 02033 177.897 79.068 99.513 1.00737.35 N ATOM 42642 C5 C 02033 176.072 79.299 101.044 1.00737.35 C ATOM 42643 C6 C 02033 174.867 79.835 101.270 1.00737.35 C ATOM 42644 P A 02034 169.579 77.728 101.103 1.00737.35 P ATOM 42645 O1P A 02034 168.566 77.328 102.110 1.00737.35 O ATOM 42646 O2P A 02034 170.819 76.918 100.949 1.00737.35 O ATOM 42647 O5* A 02034 168.849 77.823 99.689 1.00737.35 O ATOM 42648 C5* A 02034 169.144 76.905 98.640 1.00737.35 C ATOM 42649 C4* A 02034 169.895 77.612 97.538 1.00737.35 C ATOM 42650 O4* A 02034 171.086 78.220 98.103 1.00737.35 O ATOM 42651 C3* A 02034 170.411 76.728 96.411 1.00737.35 C ATOM 42652 O3* A 02034 169.409 76.535 95.413 1.00737.35 O ATOM 42653 C2* A 02034 171.588 77.540 95.884 1.00737.35 C ATOM 42654 O2* A 02034 171.183 78.596 95.039 1.00737.35 O ATOM 42655 C1* A 02034 172.158 78.120 97.181 1.00737.35 C ATOM 42656 N9 A 02034 173.214 77.304 97.787 1.00737.35 N ATOM 42657 C8 A 02034 173.080 76.312 98.731 1.00737.35 C ATOM 42658 N7 A 02034 174.218 75.767 99.089 1.00737.35 N ATOM 42659 C5 A 02034 175.165 76.441 98.329 1.00737.35 C ATOM 42660 C6 A 02034 176.565 76.330 98.248 1.00737.35 C ATOM 42661 N6 A 02034 177.284 75.470 98.969 1.00737.35 N ATOM 42662 N1 A 02034 177.208 77.149 97.388 1.00737.35 N ATOM 42663 C2 A 02034 176.487 78.015 96.668 1.00737.35 C ATOM 42664 N3 A 02034 175.173 78.216 96.658 1.00737.35 N ATOM 42665 C4 A 02034 174.561 77.387 97.522 1.00737.35 C ATOM 42666 P G 02035 169.528 75.303 94.384 1.00737.35 P ATOM 42667 O1P G 02035 168.142 74.839 94.110 1.00737.35 O ATOM 42668 O2P G 02035 170.532 74.336 94.898 1.00737.35 O ATOM 42669 O5* G 02035 170.117 75.964 93.057 1.00737.35 O ATOM 42670 C5* G 02035 169.273 76.277 91.948 1.00737.35 C ATOM 42671 C4* G 02035 170.105 76.653 90.739 1.00737.35 C ATOM 42672 O4* G 02035 170.813 77.892 91.003 1.00737.35 O ATOM 42673 C3* G 02035 171.185 75.658 90.341 1.00737.35 C ATOM 42674 O3* G 02035 170.648 74.644 89.498 1.00737.35 O ATOM 42675 C2* G 02035 172.185 76.542 89.602 1.00737.35 C ATOM 42676 O2* G 02035 171.818 76.790 88.261 1.00737.35 O ATOM 42677 C1* G 02035 172.101 77.842 90.406 1.00737.35 C ATOM 42678 N9 G 02035 173.101 77.965 91.465 1.00737.35 N ATOM 42679 C8 G 02035 172.880 77.883 92.819 1.00737.35 C ATOM 42680 N7 G 02035 173.960 78.057 93.529 1.00737.35 N ATOM 42681 C5 G 02035 174.960 78.263 92.591 1.00737.35 C ATOM 42682 C6 G 02035 176.344 78.511 92.764 1.00737.35 C ATOM 42683 O6 G 02035 176.979 78.613 93.819 1.00737.35 O ATOM 42684 N1 G 02035 176.996 78.652 91.545 1.00737.35 N ATOM 42685 C2 G 02035 176.399 78.569 90.313 1.00737.35 C ATOM 42686 N2 G 02035 177.208 78.723 89.254 1.00737.35 N ATOM 42687 N3 G 02035 175.105 78.346 90.134 1.00737.35 N ATOM 42688 C4 G 02035 174.450 78.203 91.308 1.00737.35 C ATOM 42689 P G 02036 171.360 73.203 89.422 1.00737.35 P ATOM 42690 O1P G 02036 170.505 72.335 88.574 1.00737.35 O ATOM 42691 O2P G 02036 171.699 72.773 90.802 1.00737.35 O ATOM 42692 O5* G 02036 172.719 73.481 88.638 1.00737.35 O ATOM 42693 C5* G 02036 172.707 74.006 87.310 1.00737.35 C ATOM 42694 C4* G 02036 174.094 74.464 86.916 1.00737.35 C ATOM 42695 O4* G 02036 174.537 75.487 87.849 1.00737.35 O ATOM 42696 C3* G 02036 175.179 73.399 86.978 1.00737.35 C ATOM 42697 O3* G 02036 175.235 72.651 85.767 1.00737.35 O ATOM 42698 C2* G 02036 176.435 74.230 87.193 1.00737.35 C ATOM 42699 O2* G 02036 176.922 74.826 86.006 1.00737.35 O ATOM 42700 C1* G 02036 175.915 75.310 88.143 1.00737.35 C ATOM 42701 N9 G 02036 176.038 74.946 89.553 1.00737.35 N ATOM 42702 C8 G 02036 175.029 74.874 90.484 1.00737.35 C ATOM 42703 N7 G 02036 175.446 74.512 91.668 1.00737.35 N ATOM 42704 C5 G 02036 176.814 74.334 91.511 1.00737.35 C ATOM 42705 C6 G 02036 177.800 73.940 92.448 1.00737.35 C ATOM 42706 O6 G 02036 177.657 73.660 93.643 1.00737.35 O ATOM 42707 N1 G 02036 179.064 73.888 91.868 1.00737.35 N ATOM 42708 C2 G 02036 179.343 74.175 90.555 1.00737.35 C ATOM 42709 N2 G 02036 180.626 74.065 90.185 1.00737.35 N ATOM 42710 N3 G 02036 178.433 74.542 89.670 1.00737.35 N ATOM 42711 C4 G 02036 177.197 74.602 90.214 1.00737.35 C ATOM 42712 P A 02037 175.750 71.127 85.796 1.00737.35 P ATOM 42713 O1P A 02037 175.584 70.583 84.422 1.00737.35 O ATOM 42714 O2P A 02037 175.102 70.432 86.939 1.00737.35 O ATOM 42715 O5* A 02037 177.307 71.250 86.109 1.00737.35 O ATOM 42716 C5* A 02037 178.251 71.477 85.063 1.00737.35 C ATOM 42717 C4* A 02037 179.597 70.892 85.429 1.00737.35 C ATOM 42718 O4* A 02037 180.187 71.654 86.512 1.00737.35 O ATOM 42719 C3* A 02037 179.575 69.463 85.946 1.00737.35 C ATOM 42720 O3* A 02037 179.546 68.515 84.887 1.00737.35 O ATOM 42721 C2* A 02037 180.875 69.389 86.736 1.00737.35 C ATOM 42722 O2* A 02037 182.009 69.170 85.922 1.00737.35 O ATOM 42723 C1* A 02037 180.939 70.789 87.351 1.00737.35 C ATOM 42724 N9 A 02037 180.375 70.851 88.702 1.00737.35 N ATOM 42725 C8 A 02037 179.070 71.079 89.064 1.00737.35 C ATOM 42726 N7 A 02037 178.872 71.078 90.359 1.00737.35 N ATOM 42727 C5 A 02037 180.130 70.830 90.888 1.00737.35 C ATOM 42728 C6 A 02037 180.592 70.709 92.209 1.00737.35 C ATOM 42729 N6 A 02037 179.805 70.834 93.280 1.00737.35 N ATOM 42730 N1 A 02037 181.906 70.455 92.398 1.00737.35 N ATOM 42731 C2 A 02037 182.694 70.337 91.321 1.00737.35 C ATOM 42732 N3 A 02037 182.378 70.435 90.030 1.00737.35 N ATOM 42733 C4 A 02037 181.066 70.684 89.880 1.00737.35 C ATOM 42734 P C 02038 178.693 67.162 85.054 1.00737.35 P ATOM 42735 O1P C 02038 178.945 66.637 86.424 1.00737.35 O ATOM 42736 O2P C 02038 178.965 66.296 83.880 1.00737.35 O ATOM 42737 O5* C 02038 177.178 67.647 84.979 1.00737.35 O ATOM 42738 C5* C 02038 176.118 66.789 85.383 1.00737.35 C ATOM 42739 C4* C 02038 174.808 67.541 85.394 1.00737.35 C ATOM 42740 O4* C 02038 174.496 67.985 84.046 1.00737.35 O ATOM 42741 C3* C 02038 173.599 66.713 85.797 1.00737.35 C ATOM 42742 O3* C 02038 173.473 66.655 87.213 1.00737.35 O ATOM 42743 C2* C 02038 172.454 67.480 85.145 1.00737.35 C ATOM 42744 O2* C 02038 172.065 68.628 85.873 1.00737.35 O ATOM 42745 C1* C 02038 173.096 67.897 83.819 1.00737.35 C ATOM 42746 N1 C 02038 172.857 66.929 82.728 1.00737.35 N ATOM 42747 C2 C 02038 171.820 67.180 81.813 1.00737.35 C ATOM 42748 O2 C 02038 171.133 68.211 81.937 1.00737.35 O ATOM 42749 N3 C 02038 171.591 66.291 80.818 1.00737.35 N ATOM 42750 C4 C 02038 172.345 65.199 80.711 1.00737.35 C ATOM 42751 N4 C 02038 172.084 64.350 79.715 1.00737.35 N ATOM 42752 C5 C 02038 173.404 64.921 81.624 1.00737.35 C ATOM 42753 C6 C 02038 173.624 65.805 82.606 1.00737.35 C ATOM 42754 P G 02039 173.589 65.240 87.968 1.00737.35 P ATOM 42755 O1P G 02039 174.048 64.218 86.994 1.00737.35 O ATOM 42756 O2P G 02039 172.330 65.014 88.725 1.00737.35 O ATOM 42757 O5* G 02039 174.760 65.466 89.025 1.00737.35 O ATOM 42758 C5* G 02039 176.032 65.968 88.618 1.00737.35 C ATOM 42759 C4* G 02039 176.897 66.243 89.825 1.00737.35 C ATOM 42760 O4* G 02039 176.247 67.247 90.652 1.00737.35 O ATOM 42761 C3* G 02039 177.104 65.054 90.750 1.00737.35 C ATOM 42762 O3* G 02039 178.206 64.262 90.320 1.00737.35 O ATOM 42763 C2* G 02039 177.362 65.726 92.093 1.00737.35 C ATOM 42764 O2* G 02039 178.689 66.191 92.237 1.00737.35 O ATOM 42765 C1* G 02039 176.399 66.913 92.022 1.00737.35 C ATOM 42766 N9 G 02039 175.076 66.628 92.571 1.00737.35 N ATOM 42767 C8 G 02039 173.918 66.390 91.866 1.00737.35 C ATOM 42768 N7 G 02039 172.887 66.165 92.634 1.00737.35 N ATOM 42769 C5 G 02039 173.393 66.260 93.924 1.00737.35 C ATOM 42770 C6 G 02039 172.743 66.110 95.177 1.00737.35 C ATOM 42771 O6 G 02039 171.553 65.860 95.404 1.00737.35 O ATOM 42772 N1 G 02039 173.628 66.287 96.235 1.00737.35 N ATOM 42773 C2 G 02039 174.965 66.569 96.108 1.00737.35 C ATOM 42774 N2 G 02039 175.654 66.702 97.253 1.00737.35 N ATOM 42775 N3 G 02039 175.583 66.712 94.947 1.00737.35 N ATOM 42776 C4 G 02039 174.740 66.545 93.905 1.00737.35 C ATOM 42777 P A 02040 178.123 62.659 90.416 1.00737.35 P ATOM 42778 O1P A 02040 179.404 62.119 89.892 1.00737.35 O ATOM 42779 O2P A 02040 176.840 62.219 89.811 1.00737.35 O ATOM 42780 O5* A 02040 178.057 62.370 91.982 1.00737.35 O ATOM 42781 C5* A 02040 179.210 62.526 92.807 1.00737.35 C ATOM 42782 C4* A 02040 178.911 62.085 94.220 1.00737.35 C ATOM 42783 O4* A 02040 177.934 62.983 94.813 1.00737.35 O ATOM 42784 C3* A 02040 178.281 60.707 94.355 1.00737.35 C ATOM 42785 O3* A 02040 179.274 59.687 94.340 1.00737.35 O ATOM 42786 C2* A 02040 177.577 60.806 95.703 1.00737.35 C ATOM 42787 O2* A 02040 178.445 60.614 96.803 1.00737.35 O ATOM 42788 C1* A 02040 177.080 62.255 95.680 1.00737.35 C ATOM 42789 N9 A 02040 175.704 62.398 95.200 1.00737.35 N ATOM 42790 C8 A 02040 175.266 62.496 93.901 1.00737.35 C ATOM 42791 N7 A 02040 173.963 62.617 93.791 1.00737.35 N ATOM 42792 C5 A 02040 173.514 62.591 95.104 1.00737.35 C ATOM 42793 C6 A 02040 172.227 62.676 95.665 1.00737.35 C ATOM 42794 N6 A 02040 171.110 62.806 94.945 1.00737.35 N ATOM 42795 N1 A 02040 172.125 62.621 97.011 1.00737.35 N ATOM 42796 C2 A 02040 173.244 62.489 97.733 1.00737.35 C ATOM 42797 N3 A 02040 174.506 62.398 97.323 1.00737.35 N ATOM 42798 C4 A 02040 174.574 62.457 95.982 1.00737.35 C ATOM 42799 P A 02041 178.967 58.287 93.613 1.00737.35 P ATOM 42800 O1P A 02041 180.191 57.453 93.719 1.00737.35 O ATOM 42801 O2P A 02041 178.388 58.573 92.274 1.00737.35 O ATOM 42802 O5* A 02041 177.829 57.630 94.514 1.00737.35 O ATOM 42803 C5* A 02041 178.120 57.148 95.827 1.00737.35 C ATOM 42804 C4* A 02041 176.880 56.558 96.456 1.00737.35 C ATOM 42805 O4* A 02041 175.906 57.608 96.683 1.00737.35 O ATOM 42806 C3* A 02041 176.142 55.530 95.615 1.00737.35 C ATOM 42807 O3* A 02041 176.727 54.241 95.772 1.00737.35 O ATOM 42808 C2* A 02041 174.730 55.598 96.185 1.00737.35 C ATOM 42809 O2* A 02041 174.574 54.846 97.374 1.00737.35 O ATOM 42810 C1* A 02041 174.598 57.092 96.498 1.00737.35 C ATOM 42811 N9 A 02041 173.942 57.866 95.445 1.00737.35 N ATOM 42812 C8 A 02041 174.453 58.238 94.222 1.00737.35 C ATOM 42813 N7 A 02041 173.619 58.938 93.491 1.00737.35 N ATOM 42814 C5 A 02041 172.483 59.035 94.280 1.00737.35 C ATOM 42815 C6 A 02041 171.240 59.657 94.076 1.00737.35 C ATOM 42816 N6 A 02041 170.920 60.328 92.966 1.00737.35 N ATOM 42817 N1 A 02041 170.322 59.568 95.064 1.00737.35 N ATOM 42818 C2 A 02041 170.643 58.897 96.175 1.00737.35 C ATOM 42819 N3 A 02041 171.776 58.272 96.486 1.00737.35 N ATOM 42820 C4 A 02041 172.666 58.379 95.485 1.00737.35 C ATOM 42821 P A 02042 177.026 53.337 94.476 1.00737.35 P ATOM 42822 O1P A 02042 177.809 52.158 94.932 1.00737.35 O ATOM 42823 O2P A 02042 177.577 54.210 93.407 1.00737.35 O ATOM 42824 O5* A 02042 175.587 52.834 94.015 1.00737.35 O ATOM 42825 C5* A 02042 174.890 51.827 94.747 1.00737.35 C ATOM 42826 C4* A 02042 173.535 51.574 94.129 1.00737.35 C ATOM 42827 O4* A 02042 172.728 52.777 94.243 1.00737.35 O ATOM 42828 C3* A 02042 173.536 51.263 92.641 1.00737.35 C ATOM 42829 O3* A 02042 173.781 49.877 92.414 1.00737.35 O ATOM 42830 C2* A 02042 172.127 51.669 92.226 1.00737.35 C ATOM 42831 O2* A 02042 171.155 50.686 92.520 1.00737.35 O ATOM 42832 C1* A 02042 171.896 52.905 93.103 1.00737.35 C ATOM 42833 N9 A 02042 172.216 54.172 92.443 1.00737.35 N ATOM 42834 C8 A 02042 173.386 54.535 91.820 1.00737.35 C ATOM 42835 N7 A 02042 173.364 55.747 91.317 1.00737.35 N ATOM 42836 C5 A 02042 172.095 56.213 91.631 1.00737.35 C ATOM 42837 C6 A 02042 171.449 57.436 91.376 1.00737.35 C ATOM 42838 N6 A 02042 172.014 58.451 90.719 1.00737.35 N ATOM 42839 N1 A 02042 170.184 57.584 91.828 1.00737.35 N ATOM 42840 C2 A 02042 169.617 56.566 92.486 1.00737.35 C ATOM 42841 N3 A 02042 170.119 55.369 92.786 1.00737.35 N ATOM 42842 C4 A 02042 171.377 55.256 92.326 1.00737.35 C ATOM 42843 P A 02043 175.045 49.427 91.526 1.00737.35 P ATOM 42844 O1P A 02043 174.974 47.950 91.376 1.00737.35 O ATOM 42845 O2P A 02043 176.266 50.046 92.104 1.00737.35 O ATOM 42846 O5* A 02043 174.781 50.089 90.102 1.00737.35 O ATOM 42847 C5* A 02043 173.790 49.567 89.219 1.00737.35 C ATOM 42848 C4* A 02043 174.111 49.947 87.791 1.00737.35 C ATOM 42849 O4* A 02043 175.458 49.514 87.473 1.00737.35 O ATOM 42850 C3* A 02043 173.239 49.293 86.733 1.00737.35 C ATOM 42851 O3* A 02043 172.042 50.044 86.540 1.00737.35 O ATOM 42852 C2* A 02043 174.139 49.318 85.498 1.00737.35 C ATOM 42853 O2* A 02043 174.115 50.556 84.815 1.00737.35 O ATOM 42854 C1* A 02043 175.518 49.094 86.121 1.00737.35 C ATOM 42855 N9 A 02043 175.968 47.700 86.092 1.00737.35 N ATOM 42856 C8 A 02043 175.485 46.638 86.822 1.00737.35 C ATOM 42857 N7 A 02043 176.100 45.507 86.578 1.00737.35 N ATOM 42858 C5 A 02043 177.050 45.843 85.625 1.00737.35 C ATOM 42859 C6 A 02043 178.028 45.084 84.953 1.00737.35 C ATOM 42860 N6 A 02043 178.212 43.776 85.152 1.00737.35 N ATOM 42861 N1 A 02043 178.816 45.723 84.062 1.00737.35 N ATOM 42862 C2 A 02043 178.628 47.035 83.867 1.00737.35 C ATOM 42863 N3 A 02043 177.749 47.855 84.436 1.00737.35 N ATOM 42864 C4 A 02043 176.978 47.189 85.315 1.00737.35 C ATOM 42865 P G 02044 170.741 49.335 85.914 1.00737.35 P ATOM 42866 O1P G 02044 170.664 47.953 86.456 1.00737.35 O ATOM 42867 O2P G 02044 170.763 49.544 84.444 1.00737.35 O ATOM 42868 O5* G 02044 169.526 50.173 86.514 1.00737.35 O ATOM 42869 C5* G 02044 169.161 50.048 87.888 1.00737.35 C ATOM 42870 C4* G 02044 167.913 50.854 88.181 1.00737.35 C ATOM 42871 O4* G 02044 168.198 52.269 88.036 1.00737.35 O ATOM 42872 C3* G 02044 166.728 50.622 87.257 1.00737.35 C ATOM 42873 O3* G 02044 165.981 49.473 87.644 1.00737.35 O ATOM 42874 C2* G 02044 165.921 51.899 87.453 1.00737.35 C ATOM 42875 O2* G 02044 165.130 51.879 88.625 1.00737.35 O ATOM 42876 C1* G 02044 167.028 52.946 87.601 1.00737.35 C ATOM 42877 N9 G 02044 167.327 53.664 86.364 1.00737.35 N ATOM 42878 C8 G 02044 168.520 53.694 85.684 1.00737.35 C ATOM 42879 N7 G 02044 168.478 54.436 84.610 1.00737.35 N ATOM 42880 C5 G 02044 167.177 54.919 84.574 1.00737.35 C ATOM 42881 C6 G 02044 166.542 55.775 83.637 1.00737.35 C ATOM 42882 O6 G 02044 167.017 56.295 82.619 1.00737.35 O ATOM 42883 N1 G 02044 165.216 56.015 83.983 1.00737.35 N ATOM 42884 C2 G 02044 164.582 55.499 85.085 1.00737.35 C ATOM 42885 N2 G 02044 163.298 55.850 85.248 1.00737.35 N ATOM 42886 N3 G 02044 165.162 54.701 85.965 1.00737.35 N ATOM 42887 C4 G 02044 166.453 54.453 85.648 1.00737.35 C ATOM 42888 P A 02045 165.131 48.667 86.540 1.00737.35 P ATOM 42889 O1P A 02045 165.816 47.362 86.335 1.00737.35 O ATOM 42890 O2P A 02045 164.886 49.556 85.375 1.00737.35 O ATOM 42891 O5* A 02045 163.734 48.406 87.258 1.00737.35 O ATOM 42892 C5* A 02045 163.369 47.107 87.723 1.00737.35 C ATOM 42893 C4* A 02045 162.248 47.203 88.732 1.00737.35 C ATOM 42894 O4* A 02045 162.718 47.916 89.905 1.00737.35 O ATOM 42895 C3* A 02045 161.018 47.979 88.290 1.00737.35 C ATOM 42896 O3* A 02045 160.137 47.152 87.540 1.00737.35 O ATOM 42897 C2* A 02045 160.400 48.387 89.624 1.00737.35 C ATOM 42898 O2* A 02045 159.630 47.361 90.216 1.00737.35 O ATOM 42899 C1* A 02045 161.648 48.654 90.474 1.00737.35 C ATOM 42900 N9 A 02045 162.039 50.063 90.532 1.00737.35 N ATOM 42901 C8 A 02045 162.342 50.906 89.489 1.00737.35 C ATOM 42902 N7 A 02045 162.655 52.122 89.868 1.00737.35 N ATOM 42903 C5 A 02045 162.556 52.078 91.252 1.00737.35 C ATOM 42904 C6 A 02045 162.767 53.050 92.247 1.00737.35 C ATOM 42905 N6 A 02045 163.137 54.306 91.988 1.00737.35 N ATOM 42906 N1 A 02045 162.582 52.681 93.532 1.00737.35 N ATOM 42907 C2 A 02045 162.213 51.420 93.790 1.00737.35 C ATOM 42908 N3 A 02045 161.985 50.419 92.943 1.00737.35 N ATOM 42909 C4 A 02045 162.176 50.816 91.673 1.00737.35 C ATOM 42910 P C 02046 159.753 47.553 86.030 1.00737.35 P ATOM 42911 O1P C 02046 158.556 46.762 85.652 1.00737.35 O ATOM 42912 O2P C 02046 160.983 47.467 85.200 1.00737.35 O ATOM 42913 O5* C 02046 159.327 49.088 86.126 1.00737.35 O ATOM 42914 C5* C 02046 158.210 49.496 86.911 1.00737.35 C ATOM 42915 C4* C 02046 157.730 50.860 86.468 1.00737.35 C ATOM 42916 O4* C 02046 158.790 51.830 86.674 1.00737.35 O ATOM 42917 C3* C 02046 157.387 50.980 84.991 1.00737.35 C ATOM 42918 O3* C 02046 156.051 50.560 84.742 1.00737.35 O ATOM 42919 C2* C 02046 157.568 52.472 84.738 1.00737.35 C ATOM 42920 O2* C 02046 156.455 53.243 85.144 1.00737.35 O ATOM 42921 C1* C 02046 158.771 52.790 85.629 1.00737.35 C ATOM 42922 N1 C 02046 160.066 52.747 84.919 1.00737.35 N ATOM 42923 C2 C 02046 160.510 53.898 84.245 1.00737.35 C ATOM 42924 O2 C 02046 159.808 54.921 84.267 1.00737.35 O ATOM 42925 N3 C 02046 161.693 53.863 83.591 1.00737.35 N ATOM 42926 C4 C 02046 162.426 52.746 83.590 1.00737.35 C ATOM 42927 N4 C 02046 163.587 52.759 82.932 1.00737.35 N ATOM 42928 C5 C 02046 161.998 51.565 84.264 1.00737.35 C ATOM 42929 C6 C 02046 160.826 51.608 84.909 1.00737.35 C ATOM 42930 P C 02047 155.774 49.313 83.766 1.00737.35 P ATOM 42931 O1P C 02047 154.316 49.283 83.493 1.00737.35 O ATOM 42932 O2P C 02047 156.435 48.114 84.345 1.00737.35 O ATOM 42933 O5* C 02047 156.520 49.703 82.413 1.00737.35 O ATOM 42934 C5* C 02047 156.953 48.697 81.497 1.00737.35 C ATOM 42935 C4* C 02047 157.447 49.330 80.219 1.00737.35 C ATOM 42936 O4* C 02047 158.468 50.315 80.530 1.00737.35 O ATOM 42937 C3* C 02047 158.124 48.376 79.246 1.00737.35 C ATOM 42938 O3* C 02047 157.165 47.719 78.423 1.00737.35 O ATOM 42939 C2* C 02047 159.020 49.313 78.445 1.00737.35 C ATOM 42940 O2* C 02047 158.331 50.002 77.420 1.00737.35 O ATOM 42941 C1* C 02047 159.469 50.300 79.523 1.00737.35 C ATOM 42942 N1 C 02047 160.764 49.955 80.147 1.00737.35 N ATOM 42943 C2 C 02047 161.952 50.360 79.515 1.00737.35 C ATOM 42944 O2 C 02047 161.888 50.991 78.448 1.00737.35 O ATOM 42945 N3 C 02047 163.140 50.047 80.084 1.00737.35 N ATOM 42946 C4 C 02047 163.174 49.362 81.231 1.00737.35 C ATOM 42947 N4 C 02047 164.369 49.080 81.756 1.00737.35 N ATOM 42948 C5 C 02047 161.985 48.940 81.892 1.00737.35 C ATOM 42949 C6 C 02047 160.815 49.254 81.323 1.00737.35 C ATOM 42950 P C 02048 157.449 46.222 77.906 1.00737.35 P ATOM 42951 O1P C 02048 156.255 45.789 77.136 1.00737.35 O ATOM 42952 O2P C 02048 157.914 45.405 79.056 1.00737.35 O ATOM 42953 O5* C 02048 158.664 46.390 76.891 1.00737.35 O ATOM 42954 C5* C 02048 158.493 47.070 75.647 1.00737.35 C ATOM 42955 C4* C 02048 159.821 47.210 74.936 1.00737.35 C ATOM 42956 O4* C 02048 160.708 48.039 75.734 1.00737.35 O ATOM 42957 C3* C 02048 160.598 45.919 74.726 1.00737.35 C ATOM 42958 O3* C 02048 160.160 45.239 73.554 1.00737.35 O ATOM 42959 C2* C 02048 162.031 46.424 74.590 1.00737.35 C ATOM 42960 O2* C 02048 162.326 46.922 73.301 1.00737.35 O ATOM 42961 C1* C 02048 162.044 47.571 75.604 1.00737.35 C ATOM 42962 N1 C 02048 162.546 47.180 76.938 1.00737.35 N ATOM 42963 C2 C 02048 163.933 47.077 77.137 1.00737.35 C ATOM 42964 O2 C 02048 164.702 47.309 76.189 1.00737.35 O ATOM 42965 N3 C 02048 164.397 46.725 78.357 1.00737.35 N ATOM 42966 C4 C 02048 163.545 46.479 79.353 1.00737.35 C ATOM 42967 N4 C 02048 164.056 46.136 80.541 1.00737.35 N ATOM 42968 C5 C 02048 162.135 46.572 79.180 1.00737.35 C ATOM 42969 C6 C 02048 161.682 46.922 77.969 1.00737.35 C ATOM 42970 P C 02049 160.410 43.657 73.409 1.00737.35 P ATOM 42971 O1P C 02049 159.775 43.226 72.138 1.00737.35 O ATOM 42972 O2P C 02049 160.020 42.999 74.684 1.00737.35 O ATOM 42973 O5* C 02049 161.991 43.530 73.247 1.00737.35 O ATOM 42974 C5* C 02049 162.650 44.023 72.082 1.00737.35 C ATOM 42975 C4* C 02049 164.148 43.854 72.211 1.00737.35 C ATOM 42976 O4* C 02049 164.632 44.666 73.313 1.00737.35 O ATOM 42977 C3* C 02049 164.628 42.451 72.544 1.00737.35 C ATOM 42978 O3* C 02049 164.740 41.647 71.374 1.00737.35 O ATOM 42979 C2* C 02049 165.991 42.716 73.174 1.00737.35 C ATOM 42980 O2* C 02049 167.012 42.932 72.220 1.00737.35 O ATOM 42981 C1* C 02049 165.720 44.009 73.946 1.00737.35 C ATOM 42982 N1 C 02049 165.387 43.792 75.371 1.00737.35 N ATOM 42983 C2 C 02049 166.424 43.489 76.271 1.00737.35 C ATOM 42984 O2 C 02049 167.590 43.390 75.844 1.00737.35 O ATOM 42985 N3 C 02049 166.130 43.307 77.577 1.00737.35 N ATOM 42986 C4 C 02049 164.869 43.408 78.001 1.00737.35 C ATOM 42987 N4 C 02049 164.635 43.229 79.303 1.00737.35 N ATOM 42988 C5 C 02049 163.796 43.701 77.111 1.00737.35 C ATOM 42989 C6 C 02049 164.097 43.883 75.817 1.00737.35 C ATOM 42990 P G 02050 164.576 40.053 71.487 1.00737.35 P ATOM 42991 O1P G 02050 164.949 39.480 70.167 1.00737.35 O ATOM 42992 O2P G 02050 163.239 39.760 72.061 1.00737.35 O ATOM 42993 O5* G 02050 165.680 39.627 72.557 1.00737.35 O ATOM 42994 C5* G 02050 167.061 39.557 72.203 1.00737.35 C ATOM 42995 C4* G 02050 167.837 38.805 73.261 1.00737.35 C ATOM 42996 O4* G 02050 167.920 39.596 74.470 1.00737.35 O ATOM 42997 C3* G 02050 167.227 37.485 73.712 1.00737.35 C ATOM 42998 O3* G 02050 167.596 36.442 72.816 1.00737.35 O ATOM 42999 C2* G 02050 167.852 37.291 75.092 1.00737.35 C ATOM 43000 O2* G 02050 169.139 36.706 75.039 1.00737.35 O ATOM 43001 C1* G 02050 167.971 38.735 75.595 1.00737.35 C ATOM 43002 N9 G 02050 166.944 39.146 76.549 1.00737.35 N ATOM 43003 C8 G 02050 165.670 39.581 76.269 1.00737.35 C ATOM 43004 N7 G 02050 164.990 39.900 77.338 1.00737.35 N ATOM 43005 C5 G 02050 165.864 39.658 78.389 1.00737.35 C ATOM 43006 C6 G 02050 165.689 39.825 79.789 1.00737.35 C ATOM 43007 O6 G 02050 164.695 40.239 80.401 1.00737.35 O ATOM 43008 N1 G 02050 166.830 39.457 80.493 1.00737.35 N ATOM 43009 C2 G 02050 167.992 38.992 79.930 1.00737.35 C ATOM 43010 N2 G 02050 168.982 38.688 80.784 1.00737.35 N ATOM 43011 N3 G 02050 168.170 38.837 78.627 1.00737.35 N ATOM 43012 C4 G 02050 167.073 39.187 77.921 1.00737.35 C ATOM 43013 P U 02051 166.520 35.873 71.760 1.00737.35 P ATOM 43014 O1P U 02051 167.204 34.828 70.957 1.00737.35 O ATOM 43015 O2P U 02051 165.880 37.022 71.071 1.00737.35 O ATOM 43016 O5* U 02051 165.417 35.162 72.662 1.00737.35 O ATOM 43017 C5* U 02051 165.705 33.956 73.361 1.00737.35 C ATOM 43018 C4* U 02051 164.523 33.021 73.296 1.00737.35 C ATOM 43019 O4* U 02051 164.207 32.741 71.905 1.00737.35 O ATOM 43020 C3* U 02051 164.750 31.648 73.909 1.00737.35 C ATOM 43021 O3* U 02051 164.525 31.684 75.314 1.00737.35 O ATOM 43022 C2* U 02051 163.718 30.795 73.180 1.00737.35 C ATOM 43023 O2* U 02051 162.413 30.927 73.708 1.00737.35 O ATOM 43024 C1* U 02051 163.773 31.396 71.773 1.00737.35 C ATOM 43025 N1 U 02051 164.696 30.689 70.870 1.00737.35 N ATOM 43026 C2 U 02051 164.187 29.647 70.105 1.00737.35 C ATOM 43027 O2 U 02051 163.016 29.301 70.144 1.00737.35 O ATOM 43028 N3 U 02051 165.101 29.028 69.291 1.00737.35 N ATOM 43029 C4 U 02051 166.442 29.329 69.161 1.00737.35 C ATOM 43030 O4 U 02051 167.137 28.675 68.384 1.00737.35 O ATOM 43031 C5 U 02051 166.891 30.412 69.981 1.00737.35 C ATOM 43032 C6 U 02051 166.029 31.039 70.785 1.00737.35 C ATOM 43033 P G 02052 165.562 30.956 76.305 1.00737.35 P ATOM 43034 O1P G 02052 166.936 31.300 75.855 1.00737.35 O ATOM 43035 O2P G 02052 165.168 29.531 76.427 1.00737.35 O ATOM 43036 O5* G 02052 165.312 31.664 77.708 1.00737.35 O ATOM 43037 C5* G 02052 165.439 33.078 77.850 1.00737.35 C ATOM 43038 C4* G 02052 166.336 33.404 79.020 1.00737.35 C ATOM 43039 O4* G 02052 166.492 34.843 79.127 1.00737.35 O ATOM 43040 C3* G 02052 165.804 32.986 80.382 1.00737.35 C ATOM 43041 O3* G 02052 166.092 31.618 80.649 1.00737.35 O ATOM 43042 C2* G 02052 166.557 33.922 81.318 1.00737.35 C ATOM 43043 O2* G 02052 167.878 33.500 81.589 1.00737.35 O ATOM 43044 C1* G 02052 166.582 35.214 80.495 1.00737.35 C ATOM 43045 N9 G 02052 165.475 36.119 80.809 1.00737.35 N ATOM 43046 C8 G 02052 164.462 36.522 79.971 1.00737.35 C ATOM 43047 N7 G 02052 163.618 37.337 80.543 1.00737.35 N ATOM 43048 C5 G 02052 164.100 37.482 81.837 1.00737.35 C ATOM 43049 C6 G 02052 163.601 38.246 82.925 1.00737.35 C ATOM 43050 O6 G 02052 162.598 38.971 82.964 1.00737.35 O ATOM 43051 N1 G 02052 164.401 38.105 84.055 1.00737.35 N ATOM 43052 C2 G 02052 165.532 37.332 84.132 1.00737.35 C ATOM 43053 N2 G 02052 166.167 37.325 85.313 1.00737.35 N ATOM 43054 N3 G 02052 166.006 36.620 83.126 1.00737.35 N ATOM 43055 C4 G 02052 165.247 36.738 82.017 1.00737.35 C ATOM 43056 P G 02053 165.090 30.760 81.564 1.00737.35 P ATOM 43057 O1P G 02053 165.651 29.387 81.666 1.00737.35 O ATOM 43058 O2P G 02053 163.707 30.949 81.057 1.00737.35 O ATOM 43059 O5* G 02053 165.194 31.451 82.996 1.00737.35 O ATOM 43060 C5* G 02053 166.381 31.338 83.779 1.00737.35 C ATOM 43061 C4* G 02053 166.146 31.881 85.170 1.00737.35 C ATOM 43062 O4* G 02053 165.957 33.319 85.113 1.00737.35 O ATOM 43063 C3* G 02053 164.903 31.371 85.878 1.00737.35 C ATOM 43064 O3* G 02053 165.149 30.108 86.490 1.00737.35 O ATOM 43065 C2* G 02053 164.639 32.466 86.905 1.00737.35 C ATOM 43066 O2* G 02053 165.432 32.338 88.068 1.00737.35 O ATOM 43067 C1* G 02053 165.056 33.721 86.132 1.00737.35 C ATOM 43068 N9 G 02053 163.943 34.441 85.517 1.00737.35 N ATOM 43069 C8 G 02053 163.569 34.431 84.193 1.00737.35 C ATOM 43070 N7 G 02053 162.535 35.187 83.946 1.00737.35 N ATOM 43071 C5 G 02053 162.200 35.729 85.180 1.00737.35 C ATOM 43072 C6 G 02053 161.160 36.629 85.539 1.00737.35 C ATOM 43073 O6 G 02053 160.301 37.145 84.812 1.00737.35 O ATOM 43074 N1 G 02053 161.180 36.913 86.899 1.00737.35 N ATOM 43075 C2 G 02053 162.081 36.406 87.801 1.00737.35 C ATOM 43076 N2 G 02053 161.933 36.804 89.073 1.00737.35 N ATOM 43077 N3 G 02053 163.057 35.572 87.480 1.00737.35 N ATOM 43078 C4 G 02053 163.056 35.277 86.162 1.00737.35 C ATOM 43079 P A 02054 163.947 29.055 86.663 1.00737.35 P ATOM 43080 O1P A 02054 164.523 27.816 87.246 1.00737.35 O ATOM 43081 O2P A 02054 163.195 28.980 85.383 1.00737.35 O ATOM 43082 O5* A 02054 163.002 29.728 87.754 1.00737.35 O ATOM 43083 C5* A 02054 163.476 29.967 89.079 1.00737.35 C ATOM 43084 C4* A 02054 162.533 30.893 89.815 1.00737.35 C ATOM 43085 O4* A 02054 162.496 32.178 89.140 1.00737.35 O ATOM 43086 C3* A 02054 161.078 30.458 89.863 1.00737.35 C ATOM 43087 O3* A 02054 160.854 29.528 90.920 1.00737.35 O ATOM 43088 C2* A 02054 160.358 31.778 90.101 1.00737.35 C ATOM 43089 O2* A 02054 160.381 32.193 91.453 1.00737.35 O ATOM 43090 C1* A 02054 161.195 32.735 89.250 1.00737.35 C ATOM 43091 N9 A 02054 160.654 32.931 87.903 1.00737.35 N ATOM 43092 C8 A 02054 160.959 32.246 86.751 1.00737.35 C ATOM 43093 N7 A 02054 160.294 32.658 85.699 1.00737.35 N ATOM 43094 C5 A 02054 159.498 33.682 86.190 1.00737.35 C ATOM 43095 C6 A 02054 158.555 34.529 85.575 1.00737.35 C ATOM 43096 N6 A 02054 158.243 34.478 84.276 1.00737.35 N ATOM 43097 N1 A 02054 157.939 35.445 86.350 1.00737.35 N ATOM 43098 C2 A 02054 158.249 35.500 87.648 1.00737.35 C ATOM 43099 N3 A 02054 159.112 34.765 88.342 1.00737.35 N ATOM 43100 C4 A 02054 159.711 33.864 87.544 1.00737.35 C ATOM 43101 P G 02055 159.575 28.554 90.866 1.00737.35 P ATOM 43102 O1P G 02055 159.724 27.574 91.971 1.00737.35 O ATOM 43103 O2P G 02055 159.407 28.065 89.472 1.00737.35 O ATOM 43104 O5* G 02055 158.351 29.513 91.209 1.00737.35 O ATOM 43105 C5* G 02055 158.213 30.089 92.507 1.00737.35 C ATOM 43106 C4* G 02055 157.023 31.020 92.548 1.00737.35 C ATOM 43107 O4* G 02055 157.257 32.146 91.662 1.00737.35 O ATOM 43108 C3* G 02055 155.704 30.435 92.070 1.00737.35 C ATOM 43109 O3* G 02055 155.063 29.702 93.111 1.00737.35 O ATOM 43110 C2* G 02055 154.923 31.681 91.678 1.00737.35 C ATOM 43111 O2* G 02055 154.328 32.338 92.780 1.00737.35 O ATOM 43112 C1* G 02055 156.028 32.560 91.085 1.00737.35 C ATOM 43113 N9 G 02055 156.136 32.456 89.632 1.00737.35 N ATOM 43114 C8 G 02055 156.883 31.553 88.915 1.00737.35 C ATOM 43115 N7 G 02055 156.774 31.707 87.622 1.00737.35 N ATOM 43116 C5 G 02055 155.903 32.778 87.477 1.00737.35 C ATOM 43117 C6 G 02055 155.405 33.404 86.304 1.00737.35 C ATOM 43118 O6 G 02055 155.644 33.129 85.122 1.00737.35 O ATOM 43119 N1 G 02055 154.545 34.454 86.611 1.00737.35 N ATOM 43120 C2 G 02055 154.207 34.852 87.881 1.00737.35 C ATOM 43121 N2 G 02055 153.361 35.887 87.970 1.00737.35 N ATOM 43122 N3 G 02055 154.661 34.277 88.981 1.00737.35 N ATOM 43123 C4 G 02055 155.499 33.253 88.706 1.00737.35 C ATOM 43124 P C 02056 154.037 28.521 92.738 1.00737.35 P ATOM 43125 O1P C 02056 153.711 27.806 93.999 1.00737.35 O ATOM 43126 O2P C 02056 154.582 27.760 91.584 1.00737.35 O ATOM 43127 O5* C 02056 152.730 29.294 92.253 1.00737.35 O ATOM 43128 C5* C 02056 151.972 30.091 93.159 1.00737.35 C ATOM 43129 C4* C 02056 150.931 30.895 92.415 1.00737.35 C ATOM 43130 O4* C 02056 151.590 31.820 91.511 1.00737.35 O ATOM 43131 C3* C 02056 149.990 30.103 91.518 1.00737.35 C ATOM 43132 O3* C 02056 148.910 29.555 92.270 1.00737.35 O ATOM 43133 C2* C 02056 149.524 31.165 90.528 1.00737.35 C ATOM 43134 O2* C 02056 148.496 31.988 91.040 1.00737.35 O ATOM 43135 C1* C 02056 150.801 31.988 90.343 1.00737.35 C ATOM 43136 N1 C 02056 151.599 31.588 89.165 1.00737.35 N ATOM 43137 C2 C 02056 151.306 32.169 87.917 1.00737.35 C ATOM 43138 O2 C 02056 150.389 33.004 87.837 1.00737.35 O ATOM 43139 N3 C 02056 152.031 31.805 86.836 1.00737.35 N ATOM 43140 C4 C 02056 153.009 30.905 86.957 1.00737.35 C ATOM 43141 N4 C 02056 153.696 30.578 85.861 1.00737.35 N ATOM 43142 C5 C 02056 153.326 30.299 88.208 1.00737.35 C ATOM 43143 C6 C 02056 152.603 30.666 89.275 1.00737.35 C ATOM 43144 P U 02057 148.110 28.281 91.703 1.00737.35 P ATOM 43145 O1P U 02057 147.180 27.835 92.774 1.00737.35 O ATOM 43146 O2P U 02057 149.085 27.319 91.134 1.00737.35 O ATOM 43147 O5* U 02057 147.239 28.876 90.507 1.00737.35 O ATOM 43148 C5* U 02057 146.280 29.907 90.744 1.00737.35 C ATOM 43149 C4* U 02057 145.743 30.438 89.435 1.00737.35 C ATOM 43150 O4* U 02057 146.830 31.011 88.662 1.00737.35 O ATOM 43151 C3* U 02057 145.125 29.408 88.501 1.00737.35 C ATOM 43152 O3* U 02057 143.769 29.162 88.861 1.00737.35 O ATOM 43153 C2* U 02057 145.238 30.094 87.143 1.00737.35 C ATOM 43154 O2* U 02057 144.199 31.023 86.901 1.00737.35 O ATOM 43155 C1* U 02057 146.571 30.838 87.277 1.00737.35 C ATOM 43156 N1 U 02057 147.714 30.149 86.657 1.00737.35 N ATOM 43157 C2 U 02057 147.953 30.384 85.310 1.00737.35 C ATOM 43158 O2 U 02057 147.259 31.126 84.629 1.00737.35 O ATOM 43159 N3 U 02057 149.036 29.720 84.786 1.00737.35 N ATOM 43160 C4 U 02057 149.888 28.864 85.454 1.00737.35 C ATOM 43161 O4 U 02057 150.831 28.352 84.847 1.00737.35 O ATOM 43162 C5 U 02057 149.574 28.669 86.838 1.00737.35 C ATOM 43163 C6 U 02057 148.527 29.302 87.378 1.00737.35 C ATOM 43164 P U 02058 143.104 27.733 88.542 1.00737.35 P ATOM 43165 O1P U 02058 141.731 27.751 89.107 1.00737.35 O ATOM 43166 O2P U 02058 144.053 26.668 88.955 1.00737.35 O ATOM 43167 O5* U 02058 142.990 27.708 86.952 1.00737.35 O ATOM 43168 C5* U 02058 142.134 28.623 86.265 1.00737.35 C ATOM 43169 C4* U 02058 142.392 28.560 84.777 1.00737.35 C ATOM 43170 O4* U 02058 143.747 28.998 84.505 1.00737.35 O ATOM 43171 C3* U 02058 142.300 27.175 84.152 1.00737.35 C ATOM 43172 O3* U 02058 140.952 26.879 83.801 1.00737.35 O ATOM 43173 C2* U 02058 143.187 27.310 82.920 1.00737.35 C ATOM 43174 O2* U 02058 142.528 27.918 81.825 1.00737.35 O ATOM 43175 C1* U 02058 144.289 28.239 83.435 1.00737.35 C ATOM 43176 N1 U 02058 145.494 27.542 83.917 1.00737.35 N ATOM 43177 C2 U 02058 146.437 27.148 82.978 1.00737.35 C ATOM 43178 O2 U 02058 146.307 27.345 81.779 1.00737.35 O ATOM 43179 N3 U 02058 147.541 26.517 83.495 1.00737.35 N ATOM 43180 C4 U 02058 147.795 26.237 84.820 1.00737.35 C ATOM 43181 O4 U 02058 148.842 25.665 85.128 1.00737.35 O ATOM 43182 C5 U 02058 146.776 26.665 85.726 1.00737.35 C ATOM 43183 C6 U 02058 145.690 27.284 85.259 1.00737.35 C ATOM 43184 P U 02059 140.333 25.435 84.148 1.00737.35 P ATOM 43185 O1P U 02059 138.895 25.478 83.781 1.00737.35 O ATOM 43186 O2P U 02059 140.725 25.070 85.534 1.00737.35 O ATOM 43187 O5* U 02059 141.067 24.445 83.139 1.00737.35 O ATOM 43188 C5* U 02059 140.862 23.037 83.222 1.00737.35 C ATOM 43189 C4* U 02059 140.686 22.447 81.840 1.00737.35 C ATOM 43190 O4* U 02059 139.525 23.051 81.211 1.00737.35 O ATOM 43191 C3* U 02059 141.821 22.682 80.855 1.00737.35 C ATOM 43192 O3* U 02059 142.842 21.705 81.044 1.00737.35 O ATOM 43193 C2* U 02059 141.110 22.550 79.511 1.00737.35 C ATOM 43194 O2* U 02059 140.921 21.206 79.114 1.00737.35 O ATOM 43195 C1* U 02059 139.755 23.194 79.819 1.00737.35 C ATOM 43196 N1 U 02059 139.682 24.626 79.475 1.00737.35 N ATOM 43197 C2 U 02059 139.273 24.964 78.193 1.00737.35 C ATOM 43198 O2 U 02059 138.974 24.137 77.345 1.00737.35 O ATOM 43199 N3 U 02059 139.225 26.313 77.941 1.00737.35 N ATOM 43200 C4 U 02059 139.536 27.336 78.812 1.00737.35 C ATOM 43201 O4 U 02059 139.436 28.504 78.435 1.00737.35 O ATOM 43202 C5 U 02059 139.952 26.907 80.110 1.00737.35 C ATOM 43203 C6 U 02059 140.009 25.602 80.392 1.00737.35 C ATOM 43204 P A 02060 144.151 21.704 80.104 1.00737.35 P ATOM 43205 O1P A 02060 143.732 21.164 78.784 1.00737.35 O ATOM 43206 O2P A 02060 145.246 21.037 80.852 1.00737.35 O ATOM 43207 O5* A 02060 144.542 23.242 79.929 1.00737.35 O ATOM 43208 C5* A 02060 144.161 23.966 78.759 1.00737.35 C ATOM 43209 C4* A 02060 145.382 24.347 77.950 1.00737.35 C ATOM 43210 O4* A 02060 146.166 25.336 78.667 1.00737.35 O ATOM 43211 C3* A 02060 146.373 23.227 77.663 1.00737.35 C ATOM 43212 O3* A 02060 145.962 22.448 76.546 1.00737.35 O ATOM 43213 C2* A 02060 147.657 23.999 77.371 1.00737.35 C ATOM 43214 O2* A 02060 147.723 24.487 76.045 1.00737.35 O ATOM 43215 C1* A 02060 147.539 25.176 78.347 1.00737.35 C ATOM 43216 N9 A 02060 148.297 24.998 79.589 1.00737.35 N ATOM 43217 C8 A 02060 147.823 24.654 80.831 1.00737.35 C ATOM 43218 N7 A 02060 148.754 24.585 81.752 1.00737.35 N ATOM 43219 C5 A 02060 149.920 24.904 81.071 1.00737.35 C ATOM 43220 C6 A 02060 151.261 25.007 81.487 1.00737.35 C ATOM 43221 N6 A 02060 151.662 24.800 82.744 1.00737.35 N ATOM 43222 N1 A 02060 152.184 25.335 80.556 1.00737.35 N ATOM 43223 C2 A 02060 151.776 25.551 79.300 1.00737.35 C ATOM 43224 N3 A 02060 150.548 25.490 78.789 1.00737.35 N ATOM 43225 C4 A 02060 149.655 25.155 79.737 1.00737.35 C ATOM 43226 P C 02061 146.311 20.878 76.493 1.00737.35 P ATOM 43227 O1P C 02061 145.639 20.322 75.291 1.00737.35 O ATOM 43228 O2P C 02061 146.033 20.283 77.826 1.00737.35 O ATOM 43229 O5* C 02061 147.888 20.838 76.262 1.00737.35 O ATOM 43230 C5* C 02061 148.438 20.745 74.950 1.00737.35 C ATOM 43231 C4* C 02061 149.870 20.261 75.015 1.00737.35 C ATOM 43232 O4* C 02061 150.682 21.255 75.695 1.00737.35 O ATOM 43233 C3* C 02061 150.103 18.985 75.807 1.00737.35 C ATOM 43234 O3* C 02061 149.845 17.828 75.014 1.00737.35 O ATOM 43235 C2* C 02061 151.577 19.104 76.180 1.00737.35 C ATOM 43236 O2* C 02061 152.449 18.727 75.131 1.00737.35 O ATOM 43237 C1* C 02061 151.700 20.607 76.442 1.00737.35 C ATOM 43238 N1 C 02061 151.550 20.969 77.866 1.00737.35 N ATOM 43239 C2 C 02061 152.679 20.922 78.702 1.00737.35 C ATOM 43240 O2 C 02061 153.775 20.581 78.223 1.00737.35 O ATOM 43241 N3 C 02061 152.547 21.246 80.007 1.00737.35 N ATOM 43242 C4 C 02061 151.355 21.605 80.491 1.00737.35 C ATOM 43243 N4 C 02061 151.275 21.912 81.789 1.00737.35 N ATOM 43244 C5 C 02061 150.194 21.665 79.668 1.00737.35 C ATOM 43245 C6 C 02061 150.336 21.343 78.375 1.00737.35 C ATOM 43246 P U 02062 149.409 16.455 75.727 1.00737.35 P ATOM 43247 O1P U 02062 149.146 15.464 74.650 1.00737.35 O ATOM 43248 O2P U 02062 148.345 16.755 76.721 1.00737.35 O ATOM 43249 O5* U 02062 150.716 16.001 76.518 1.00737.35 O ATOM 43250 C5* U 02062 151.902 15.631 75.813 1.00737.35 C ATOM 43251 C4* U 02062 153.052 15.441 76.776 1.00737.35 C ATOM 43252 O4* U 02062 153.343 16.699 77.440 1.00737.35 O ATOM 43253 C3* U 02062 152.821 14.469 77.921 1.00737.35 C ATOM 43254 O3* U 02062 153.038 13.123 77.510 1.00737.35 O ATOM 43255 C2* U 02062 153.860 14.923 78.942 1.00737.35 C ATOM 43256 O2* U 02062 155.158 14.432 78.674 1.00737.35 O ATOM 43257 C1* U 02062 153.832 16.443 78.750 1.00737.35 C ATOM 43258 N1 U 02062 152.977 17.139 79.726 1.00737.35 N ATOM 43259 C2 U 02062 153.548 17.504 80.939 1.00737.35 C ATOM 43260 O2 U 02062 154.715 17.279 81.219 1.00737.35 O ATOM 43261 N3 U 02062 152.699 18.140 81.811 1.00737.35 N ATOM 43262 C4 U 02062 151.372 18.446 81.604 1.00737.35 C ATOM 43263 O4 U 02062 150.741 19.026 82.491 1.00737.35 O ATOM 43264 C5 U 02062 150.854 18.043 80.333 1.00737.35 C ATOM 43265 C6 U 02062 151.654 17.420 79.461 1.00737.35 C ATOM 43266 P A 02063 152.400 11.916 78.359 1.00737.35 P ATOM 43267 O1P A 02063 152.811 10.649 77.703 1.00737.35 O ATOM 43268 O2P A 02063 150.955 12.198 78.567 1.00737.35 O ATOM 43269 O5* A 02063 153.144 12.007 79.765 1.00737.35 O ATOM 43270 C5* A 02063 152.577 11.433 80.942 1.00737.35 C ATOM 43271 C4* A 02063 153.495 11.652 82.121 1.00737.35 C ATOM 43272 O4* A 02063 153.792 13.067 82.242 1.00737.35 O ATOM 43273 C3* A 02063 152.925 11.266 83.475 1.00737.35 C ATOM 43274 O3* A 02063 153.111 9.877 83.730 1.00737.35 O ATOM 43275 C2* A 02063 153.735 12.137 84.429 1.00737.35 C ATOM 43276 O2* A 02063 155.014 11.605 84.717 1.00737.35 O ATOM 43277 C1* A 02063 153.882 13.423 83.613 1.00737.35 C ATOM 43278 N9 A 02063 152.854 14.426 83.901 1.00737.35 N ATOM 43279 C8 A 02063 151.780 14.781 83.121 1.00737.35 C ATOM 43280 N7 A 02063 151.030 15.719 83.647 1.00737.35 N ATOM 43281 C5 A 02063 151.651 16.002 84.857 1.00737.35 C ATOM 43282 C6 A 02063 151.346 16.910 85.885 1.00737.35 C ATOM 43283 N6 A 02063 150.297 17.735 85.851 1.00737.35 N ATOM 43284 N1 A 02063 152.164 16.943 86.960 1.00737.35 N ATOM 43285 C2 A 02063 153.218 16.118 86.986 1.00737.35 C ATOM 43286 N3 A 02063 153.611 15.222 86.081 1.00737.35 N ATOM 43287 C4 A 02063 152.774 15.212 85.027 1.00737.35 C ATOM 43288 P U 02064 152.102 9.101 84.713 1.00737.35 P ATOM 43289 O1P U 02064 152.519 7.677 84.739 1.00737.35 O ATOM 43290 O2P U 02064 150.709 9.451 84.329 1.00737.35 O ATOM 43291 O5* U 02064 152.396 9.734 86.147 1.00737.35 O ATOM 43292 C5* U 02064 153.682 9.612 86.750 1.00737.35 C ATOM 43293 C4* U 02064 153.778 10.498 87.971 1.00737.35 C ATOM 43294 O4* U 02064 153.616 11.887 87.572 1.00737.35 O ATOM 43295 C3* U 02064 152.713 10.285 89.033 1.00737.35 C ATOM 43296 O3* U 02064 153.070 9.213 89.899 1.00737.35 O ATOM 43297 C2* U 02064 152.695 11.628 89.751 1.00737.35 C ATOM 43298 O2* U 02064 153.742 11.772 90.691 1.00737.35 O ATOM 43299 C1* U 02064 152.918 12.597 88.585 1.00737.35 C ATOM 43300 N1 U 02064 151.671 13.136 88.011 1.00737.35 N ATOM 43301 C2 U 02064 151.064 14.201 88.664 1.00737.35 C ATOM 43302 O2 U 02064 151.510 14.702 89.684 1.00737.35 O ATOM 43303 N3 U 02064 149.912 14.658 88.075 1.00737.35 N ATOM 43304 C4 U 02064 149.312 14.176 86.930 1.00737.35 C ATOM 43305 O4 U 02064 148.275 14.703 86.521 1.00737.35 O ATOM 43306 C5 U 02064 149.994 13.078 86.318 1.00737.35 C ATOM 43307 C6 U 02064 151.119 12.606 86.865 1.00737.35 C ATOM 43308 P A 02065 151.949 8.511 90.815 1.00737.35 P ATOM 43309 O1P A 02065 152.529 7.243 91.324 1.00737.35 O ATOM 43310 O2P A 02065 150.667 8.482 90.064 1.00737.35 O ATOM 43311 O5* A 02065 151.782 9.511 92.047 1.00737.35 O ATOM 43312 C5* A 02065 152.886 9.805 92.902 1.00737.35 C ATOM 43313 C4* A 02065 152.436 10.647 94.073 1.00737.35 C ATOM 43314 O4* A 02065 151.952 11.929 93.594 1.00737.35 O ATOM 43315 C3* A 02065 151.274 10.091 94.880 1.00737.35 C ATOM 43316 O3* A 02065 151.718 9.145 95.847 1.00737.35 O ATOM 43317 C2* A 02065 150.715 11.347 95.538 1.00737.35 C ATOM 43318 O2* A 02065 151.442 11.747 96.682 1.00737.35 O ATOM 43319 C1* A 02065 150.889 12.379 94.421 1.00737.35 C ATOM 43320 N9 A 02065 149.692 12.552 93.597 1.00737.35 N ATOM 43321 C8 A 02065 149.448 12.058 92.337 1.00737.35 C ATOM 43322 N7 A 02065 148.273 12.386 91.860 1.00737.35 N ATOM 43323 C5 A 02065 147.703 13.148 92.869 1.00737.35 C ATOM 43324 C6 A 02065 146.459 13.794 92.980 1.00737.35 C ATOM 43325 N6 A 02065 145.528 13.776 92.023 1.00737.35 N ATOM 43326 N1 A 02065 146.201 14.471 94.120 1.00737.35 N ATOM 43327 C2 A 02065 147.137 14.489 95.078 1.00737.35 C ATOM 43328 N3 A 02065 148.340 13.923 95.092 1.00737.35 N ATOM 43329 C4 A 02065 148.566 13.260 93.945 1.00737.35 C ATOM 43330 P G 02066 150.888 7.788 96.075 1.00737.35 P ATOM 43331 O1P G 02066 151.377 7.178 97.338 1.00737.35 O ATOM 43332 O2P G 02066 150.928 6.999 94.818 1.00737.35 O ATOM 43333 O5* G 02066 149.389 8.280 96.307 1.00737.35 O ATOM 43334 C5* G 02066 149.056 9.130 97.402 1.00737.35 C ATOM 43335 C4* G 02066 147.696 9.753 97.189 1.00737.35 C ATOM 43336 O4* G 02066 147.728 10.577 95.993 1.00737.35 O ATOM 43337 C3* G 02066 146.552 8.780 96.944 1.00737.35 C ATOM 43338 O3* G 02066 146.020 8.300 98.175 1.00737.35 O ATOM 43339 C2* G 02066 145.550 9.642 96.189 1.00737.35 C ATOM 43340 O2* G 02066 144.781 10.475 97.036 1.00737.35 O ATOM 43341 C1* G 02066 146.478 10.503 95.325 1.00737.35 C ATOM 43342 N9 G 02066 146.697 9.960 93.986 1.00737.35 N ATOM 43343 C8 G 02066 147.734 9.159 93.574 1.00737.35 C ATOM 43344 N7 G 02066 147.660 8.832 92.311 1.00737.35 N ATOM 43345 C5 G 02066 146.503 9.454 91.862 1.00737.35 C ATOM 43346 C6 G 02066 145.904 9.462 90.575 1.00737.35 C ATOM 43347 O6 G 02066 146.289 8.902 89.539 1.00737.35 O ATOM 43348 N1 G 02066 144.736 10.216 90.558 1.00737.35 N ATOM 43349 C2 G 02066 144.210 10.880 91.638 1.00737.35 C ATOM 43350 N2 G 02066 143.071 11.555 91.419 1.00737.35 N ATOM 43351 N3 G 02066 144.759 10.884 92.844 1.00737.35 N ATOM 43352 C4 G 02066 145.895 10.155 92.882 1.00737.35 C ATOM 43353 P U 02067 145.329 6.849 98.235 1.00737.35 P ATOM 43354 O1P U 02067 144.847 6.648 99.625 1.00737.35 O ATOM 43355 O2P U 02067 146.261 5.859 97.632 1.00737.35 O ATOM 43356 O5* U 02067 144.060 6.985 97.281 1.00737.35 O ATOM 43357 C5* U 02067 142.984 7.862 97.611 1.00737.35 C ATOM 43358 C4* U 02067 142.050 8.020 96.433 1.00737.35 C ATOM 43359 O4* U 02067 142.768 8.622 95.324 1.00737.35 O ATOM 43360 C3* U 02067 141.487 6.729 95.857 1.00737.35 C ATOM 43361 O3* U 02067 140.341 6.300 96.588 1.00737.35 O ATOM 43362 C2* U 02067 141.144 7.135 94.430 1.00737.35 C ATOM 43363 O2* U 02067 139.916 7.829 94.327 1.00737.35 O ATOM 43364 C1* U 02067 142.301 8.081 94.099 1.00737.35 C ATOM 43365 N1 U 02067 143.426 7.415 93.416 1.00737.35 N ATOM 43366 C2 U 02067 143.388 7.335 92.031 1.00737.35 C ATOM 43367 O2 U 02067 142.476 7.794 91.359 1.00737.35 O ATOM 43368 N3 U 02067 144.462 6.696 91.460 1.00737.35 N ATOM 43369 C4 U 02067 145.544 6.144 92.110 1.00737.35 C ATOM 43370 O4 U 02067 146.435 5.601 91.452 1.00737.35 O ATOM 43371 C5 U 02067 145.514 6.268 93.535 1.00737.35 C ATOM 43372 C6 U 02067 144.484 6.882 94.125 1.00737.35 C ATOM 43373 P C 02068 139.880 4.761 96.519 1.00737.35 P ATOM 43374 O1P C 02068 138.888 4.550 97.606 1.00737.35 O ATOM 43375 O2P C 02068 141.091 3.902 96.458 1.00737.35 O ATOM 43376 O5* C 02068 139.122 4.653 95.121 1.00737.35 O ATOM 43377 C5* C 02068 137.865 5.295 94.920 1.00737.35 C ATOM 43378 C4* C 02068 137.371 5.059 93.509 1.00737.35 C ATOM 43379 O4* C 02068 138.258 5.717 92.568 1.00737.35 O ATOM 43380 C3* C 02068 137.347 3.611 93.048 1.00737.35 C ATOM 43381 O3* C 02068 136.162 2.954 93.486 1.00737.35 O ATOM 43382 C2* C 02068 137.388 3.756 91.531 1.00737.35 C ATOM 43383 O2* C 02068 136.124 4.040 90.963 1.00737.35 O ATOM 43384 C1* C 02068 138.315 4.965 91.364 1.00737.35 C ATOM 43385 N1 C 02068 139.723 4.603 91.092 1.00737.35 N ATOM 43386 C2 C 02068 140.114 4.365 89.764 1.00737.35 C ATOM 43387 O2 C 02068 139.272 4.460 88.854 1.00737.35 O ATOM 43388 N3 C 02068 141.401 4.035 89.505 1.00737.35 N ATOM 43389 C4 C 02068 142.281 3.936 90.505 1.00737.35 C ATOM 43390 N4 C 02068 143.538 3.610 90.199 1.00737.35 N ATOM 43391 C5 C 02068 141.908 4.172 91.861 1.00737.35 C ATOM 43392 C6 C 02068 140.633 4.499 92.107 1.00737.35 C ATOM 43393 P U 02069 136.183 1.369 93.755 1.00737.35 P ATOM 43394 O1P U 02069 134.821 0.980 94.207 1.00737.35 O ATOM 43395 O2P U 02069 137.356 1.050 94.607 1.00737.35 O ATOM 43396 O5* U 02069 136.431 0.739 92.313 1.00737.35 O ATOM 43397 C5* U 02069 135.471 0.898 91.268 1.00737.35 C ATOM 43398 C4* U 02069 136.033 0.398 89.954 1.00737.35 C ATOM 43399 O4* U 02069 137.170 1.217 89.575 1.00737.35 O ATOM 43400 C3* U 02069 136.577 -1.021 89.964 1.00737.35 C ATOM 43401 O3* U 02069 135.535 -1.972 89.775 1.00737.35 O ATOM 43402 C2* U 02069 137.558 -0.997 88.795 1.00737.35 C ATOM 43403 O2* U 02069 136.931 -1.153 87.538 1.00737.35 O ATOM 43404 C1* U 02069 138.140 0.413 88.918 1.00737.35 C ATOM 43405 N1 U 02069 139.395 0.465 89.686 1.00737.35 N ATOM 43406 C2 U 02069 140.586 0.257 88.999 1.00737.35 C ATOM 43407 O2 U 02069 140.633 0.040 87.798 1.00737.35 O ATOM 43408 N3 U 02069 141.717 0.314 89.774 1.00737.35 N ATOM 43409 C4 U 02069 141.787 0.552 91.131 1.00737.35 C ATOM 43410 O4 U 02069 142.888 0.572 91.687 1.00737.35 O ATOM 43411 C5 U 02069 140.523 0.754 91.767 1.00737.35 C ATOM 43412 C6 U 02069 139.401 0.706 91.044 1.00737.35 C ATOM 43413 P G 02070 135.773 -3.512 90.177 1.00737.35 P ATOM 43414 O1P G 02070 134.436 -4.141 90.320 1.00737.35 O ATOM 43415 O2P G 02070 136.735 -3.570 91.311 1.00737.35 O ATOM 43416 O5* G 02070 136.487 -4.132 88.894 1.00737.35 O ATOM 43417 C5* G 02070 135.748 -4.394 87.702 1.00737.35 C ATOM 43418 C4* G 02070 136.661 -4.934 86.624 1.00737.35 C ATOM 43419 O4* G 02070 137.624 -3.915 86.250 1.00737.35 O ATOM 43420 C3* G 02070 137.513 -6.130 87.013 1.00737.35 C ATOM 43421 O3* G 02070 136.782 -7.346 86.881 1.00737.35 O ATOM 43422 C2* G 02070 138.663 -6.043 86.013 1.00737.35 C ATOM 43423 O2* G 02070 138.339 -6.572 84.743 1.00737.35 O ATOM 43424 C1* G 02070 138.858 -4.527 85.908 1.00737.35 C ATOM 43425 N9 G 02070 139.896 -4.011 86.798 1.00737.35 N ATOM 43426 C8 G 02070 139.744 -3.591 88.099 1.00737.35 C ATOM 43427 N7 G 02070 140.862 -3.183 88.638 1.00737.35 N ATOM 43428 C5 G 02070 141.808 -3.342 87.634 1.00737.35 C ATOM 43429 C6 G 02070 143.201 -3.070 87.634 1.00737.35 C ATOM 43430 O6 G 02070 143.899 -2.617 88.550 1.00737.35 O ATOM 43431 N1 G 02070 143.780 -3.376 86.408 1.00737.35 N ATOM 43432 C2 G 02070 143.110 -3.882 85.323 1.00737.35 C ATOM 43433 N2 G 02070 143.848 -4.114 84.228 1.00737.35 N ATOM 43434 N3 G 02070 141.813 -4.142 85.311 1.00737.35 N ATOM 43435 C4 G 02070 141.227 -3.852 86.493 1.00737.35 C ATOM 43436 P G 02071 137.187 -8.619 87.779 1.00737.35 P ATOM 43437 O1P G 02071 136.215 -9.700 87.471 1.00737.35 O ATOM 43438 O2P G 02071 137.365 -8.172 89.185 1.00737.35 O ATOM 43439 O5* G 02071 138.611 -9.053 87.209 1.00737.35 O ATOM 43440 C5* G 02071 138.733 -9.630 85.910 1.00737.35 C ATOM 43441 C4* G 02071 140.185 -9.902 85.586 1.00737.35 C ATOM 43442 O4* G 02071 140.907 -8.646 85.502 1.00737.35 O ATOM 43443 C3* G 02071 140.958 -10.711 86.616 1.00737.35 C ATOM 43444 O3* G 02071 140.746 -12.108 86.434 1.00737.35 O ATOM 43445 C2* G 02071 142.400 -10.307 86.323 1.00737.35 C ATOM 43446 O2* G 02071 142.960 -11.008 85.229 1.00737.35 O ATOM 43447 C1* G 02071 142.236 -8.828 85.962 1.00737.35 C ATOM 43448 N9 G 02071 142.469 -7.924 87.084 1.00737.35 N ATOM 43449 C8 G 02071 141.535 -7.423 87.961 1.00737.35 C ATOM 43450 N7 G 02071 142.049 -6.636 88.866 1.00737.35 N ATOM 43451 C5 G 02071 143.408 -6.617 88.575 1.00737.35 C ATOM 43452 C6 G 02071 144.476 -5.937 89.215 1.00737.35 C ATOM 43453 O6 G 02071 144.435 -5.190 90.201 1.00737.35 O ATOM 43454 N1 G 02071 145.692 -6.197 88.591 1.00737.35 N ATOM 43455 C2 G 02071 145.862 -7.006 87.495 1.00737.35 C ATOM 43456 N2 G 02071 147.118 -7.132 87.040 1.00737.35 N ATOM 43457 N3 G 02071 144.875 -7.644 86.889 1.00737.35 N ATOM 43458 C4 G 02071 143.683 -7.408 87.479 1.00737.35 C ATOM 43459 P C 02072 140.938 -13.111 87.675 1.00737.35 P ATOM 43460 O1P C 02072 140.540 -14.468 87.214 1.00737.35 O ATOM 43461 O2P C 02072 140.280 -12.522 88.868 1.00737.35 O ATOM 43462 O5* C 02072 142.511 -13.110 87.928 1.00737.35 O ATOM 43463 C5* C 02072 143.411 -13.659 86.970 1.00737.35 C ATOM 43464 C4* C 02072 144.839 -13.467 87.423 1.00737.35 C ATOM 43465 O4* C 02072 145.138 -12.048 87.475 1.00737.35 O ATOM 43466 C3* C 02072 145.152 -13.968 88.826 1.00737.35 C ATOM 43467 O3* C 02072 145.456 -15.359 88.823 1.00737.35 O ATOM 43468 C2* C 02072 146.368 -13.130 89.205 1.00737.35 C ATOM 43469 O2* C 02072 147.578 -13.639 88.677 1.00737.35 O ATOM 43470 C1* C 02072 146.038 -11.789 88.541 1.00737.35 C ATOM 43471 N1 C 02072 145.431 -10.795 89.452 1.00737.35 N ATOM 43472 C2 C 02072 146.276 -9.981 90.226 1.00737.35 C ATOM 43473 O2 C 02072 147.508 -10.129 90.140 1.00737.35 O ATOM 43474 N3 C 02072 145.731 -9.059 91.051 1.00737.35 N ATOM 43475 C4 C 02072 144.406 -8.932 91.129 1.00737.35 C ATOM 43476 N4 C 02072 143.916 -8.003 91.954 1.00737.35 N ATOM 43477 C5 C 02072 143.523 -9.747 90.362 1.00737.35 C ATOM 43478 C6 C 02072 144.072 -10.658 89.545 1.00737.35 C ATOM 43479 P A 02073 145.087 -16.259 90.104 1.00737.35 P ATOM 43480 O1P A 02073 145.623 -17.621 89.851 1.00737.35 O ATOM 43481 O2P A 02073 143.640 -16.084 90.397 1.00737.35 O ATOM 43482 O5* A 02073 145.927 -15.609 91.295 1.00737.35 O ATOM 43483 C5* A 02073 145.565 -15.838 92.654 1.00737.35 C ATOM 43484 C4* A 02073 146.641 -15.316 93.582 1.00737.35 C ATOM 43485 O4* A 02073 146.873 -13.908 93.309 1.00737.35 O ATOM 43486 C3* A 02073 146.297 -15.357 95.064 1.00737.35 C ATOM 43487 O3* A 02073 146.570 -16.637 95.625 1.00737.35 O ATOM 43488 C2* A 02073 147.199 -14.272 95.636 1.00737.35 C ATOM 43489 O2* A 02073 148.532 -14.703 95.838 1.00737.35 O ATOM 43490 C1* A 02073 147.150 -13.223 94.523 1.00737.35 C ATOM 43491 N9 A 02073 146.111 -12.212 94.733 1.00737.35 N ATOM 43492 C8 A 02073 144.793 -12.267 94.350 1.00737.35 C ATOM 43493 N7 A 02073 144.101 -11.205 94.678 1.00737.35 N ATOM 43494 C5 A 02073 145.023 -10.395 95.325 1.00737.35 C ATOM 43495 C6 A 02073 144.913 -9.124 95.914 1.00737.35 C ATOM 43496 N6 A 02073 143.780 -8.419 95.944 1.00737.35 N ATOM 43497 N1 A 02073 146.023 -8.594 96.473 1.00737.35 N ATOM 43498 C2 A 02073 147.159 -9.302 96.438 1.00737.35 C ATOM 43499 N3 A 02073 147.388 -10.503 95.914 1.00737.35 N ATOM 43500 C4 A 02073 146.265 -11.000 95.366 1.00737.35 C ATOM 43501 P U 02074 145.793 -17.111 96.953 1.00737.35 P ATOM 43502 O1P U 02074 145.798 -18.597 96.980 1.00737.35 O ATOM 43503 O2P U 02074 144.498 -16.384 97.016 1.00737.35 O ATOM 43504 O5* U 02074 146.708 -16.580 98.146 1.00737.35 O ATOM 43505 C5* U 02074 147.865 -17.303 98.561 1.00737.35 C ATOM 43506 C4* U 02074 148.468 -16.681 99.799 1.00737.35 C ATOM 43507 O4* U 02074 149.001 -15.368 99.478 1.00737.35 O ATOM 43508 C3* U 02074 147.519 -16.426 100.959 1.00737.35 C ATOM 43509 O3* U 02074 147.328 -17.608 101.732 1.00737.35 O ATOM 43510 C2* U 02074 148.248 -15.335 101.737 1.00737.35 C ATOM 43511 O2* U 02074 149.272 -15.840 102.572 1.00737.35 O ATOM 43512 C1* U 02074 148.866 -14.511 100.602 1.00737.35 C ATOM 43513 N1 U 02074 148.056 -13.343 100.216 1.00737.35 N ATOM 43514 C2 U 02074 148.214 -12.174 100.946 1.00737.35 C ATOM 43515 O2 U 02074 148.987 -12.072 101.885 1.00737.35 O ATOM 43516 N3 U 02074 147.430 -11.124 100.535 1.00737.35 N ATOM 43517 C4 U 02074 146.524 -11.119 99.495 1.00737.35 C ATOM 43518 O4 U 02074 145.887 -10.093 99.253 1.00737.35 O ATOM 43519 C5 U 02074 146.417 -12.359 98.790 1.00737.35 C ATOM 43520 C6 U 02074 147.165 -13.401 99.164 1.00737.35 C ATOM 43521 P U 02075 146.168 -17.662 102.847 1.00737.35 P ATOM 43522 O1P U 02075 146.614 -16.863 104.018 1.00737.35 O ATOM 43523 O2P U 02075 145.797 -19.088 103.033 1.00737.35 O ATOM 43524 O5* U 02075 144.928 -16.915 102.179 1.00737.35 O ATOM 43525 C5* U 02075 144.344 -17.394 100.970 1.00737.35 C ATOM 43526 C4* U 02075 142.845 -17.209 101.006 1.00737.35 C ATOM 43527 O4* U 02075 142.534 -15.811 101.241 1.00737.35 O ATOM 43528 C3* U 02075 142.118 -17.544 99.715 1.00737.35 C ATOM 43529 O3* U 02075 141.840 -18.940 99.648 1.00737.35 O ATOM 43530 C2* U 02075 140.840 -16.722 99.837 1.00737.35 C ATOM 43531 O2* U 02075 139.852 -17.346 100.635 1.00737.35 O ATOM 43532 C1* U 02075 141.352 -15.461 100.538 1.00737.35 C ATOM 43533 N1 U 02075 141.659 -14.352 99.618 1.00737.35 N ATOM 43534 C2 U 02075 140.637 -13.461 99.318 1.00737.35 C ATOM 43535 O2 U 02075 139.510 -13.557 99.777 1.00737.35 O ATOM 43536 N3 U 02075 140.987 -12.448 98.455 1.00737.35 N ATOM 43537 C4 U 02075 142.224 -12.238 97.876 1.00737.35 C ATOM 43538 O4 U 02075 142.389 -11.267 97.132 1.00737.35 O ATOM 43539 C5 U 02075 143.219 -13.199 98.230 1.00737.35 C ATOM 43540 C6 U 02075 142.913 -14.196 99.067 1.00737.35 C ATOM 43541 P C 03093 140.023 -18.772 96.658 1.00682.03 P ATOM 43542 O1P C 03093 141.018 -19.555 95.877 1.00682.03 O ATOM 43543 O2P C 03093 138.763 -18.330 96.007 1.00682.03 O ATOM 43544 O5* C 03093 139.585 -19.593 97.947 1.00682.03 O ATOM 43545 C5* C 03093 140.551 -20.332 98.706 1.00682.03 C ATOM 43546 C4* C 03093 139.900 -20.980 99.901 1.00682.03 C ATOM 43547 O4* C 03093 139.289 -19.957 100.739 1.00682.03 O ATOM 43548 C3* C 03093 138.743 -21.932 99.648 1.00682.03 C ATOM 43549 O3* C 03093 139.159 -23.216 99.173 1.00682.03 O ATOM 43550 C2* C 03093 138.122 -21.996 101.041 1.00682.03 C ATOM 43551 O2* C 03093 138.872 -22.753 101.967 1.00682.03 O ATOM 43552 C1* C 03093 138.225 -20.539 101.474 1.00682.03 C ATOM 43553 N1 C 03093 136.974 -19.819 101.196 1.00682.03 N ATOM 43554 C2 C 03093 135.914 -19.961 102.100 1.00682.03 C ATOM 43555 O2 C 03093 136.056 -20.707 103.074 1.00682.03 O ATOM 43556 N3 C 03093 134.757 -19.292 101.878 1.00682.03 N ATOM 43557 C4 C 03093 134.632 -18.524 100.792 1.00682.03 C ATOM 43558 N4 C 03093 133.477 -17.883 100.613 1.00682.03 N ATOM 43559 C5 C 03093 135.685 -18.380 99.843 1.00682.03 C ATOM 43560 C6 C 03093 136.831 -19.033 100.084 1.00682.03 C ATOM 43561 P A 03094 138.060 -24.240 98.575 1.00682.03 P ATOM 43562 O1P A 03094 138.751 -25.424 98.002 1.00682.03 O ATOM 43563 O2P A 03094 137.111 -23.478 97.734 1.00682.03 O ATOM 43564 O5* A 03094 137.237 -24.697 99.854 1.00682.03 O ATOM 43565 C5* A 03094 137.860 -25.377 100.948 1.00682.03 C ATOM 43566 C4* A 03094 136.802 -25.832 101.914 1.00682.03 C ATOM 43567 O4* A 03094 136.133 -24.673 102.475 1.00682.03 O ATOM 43568 C3* A 03094 135.707 -26.626 101.238 1.00682.03 C ATOM 43569 O3* A 03094 136.095 -27.980 101.197 1.00682.03 O ATOM 43570 C2* A 03094 134.489 -26.347 102.105 1.00682.03 C ATOM 43571 O2* A 03094 134.441 -27.133 103.271 1.00682.03 O ATOM 43572 C1* A 03094 134.735 -24.891 102.504 1.00682.03 C ATOM 43573 N9 A 03094 134.119 -23.878 101.645 1.00682.03 N ATOM 43574 C8 A 03094 134.704 -23.187 100.609 1.00682.03 C ATOM 43575 N7 A 03094 133.929 -22.280 100.072 1.00682.03 N ATOM 43576 C5 A 03094 132.745 -22.391 100.788 1.00682.03 C ATOM 43577 C6 A 03094 131.524 -21.700 100.711 1.00682.03 C ATOM 43578 N6 A 03094 131.280 -20.701 99.854 1.00682.03 N ATOM 43579 N1 A 03094 130.545 -22.068 101.558 1.00682.03 N ATOM 43580 C2 A 03094 130.782 -23.059 102.420 1.00682.03 C ATOM 43581 N3 A 03094 131.882 -23.777 102.595 1.00682.03 N ATOM 43582 C4 A 03094 132.839 -23.388 101.740 1.00682.03 C ATOM 43583 P A 03095 135.490 -28.944 100.080 1.00682.03 P ATOM 43584 O1P A 03095 136.077 -30.286 100.266 1.00682.03 O ATOM 43585 O2P A 03095 135.605 -28.282 98.775 1.00682.03 O ATOM 43586 O5* A 03095 133.979 -29.024 100.559 1.00682.03 O ATOM 43587 C5* A 03095 132.981 -29.575 99.732 1.00682.03 C ATOM 43588 C4* A 03095 131.630 -29.400 100.368 1.00682.03 C ATOM 43589 O4* A 03095 131.540 -28.121 101.048 1.00682.03 O ATOM 43590 C3* A 03095 130.573 -29.340 99.293 1.00682.03 C ATOM 43591 O3* A 03095 130.210 -30.637 98.883 1.00682.03 O ATOM 43592 C2* A 03095 129.476 -28.505 99.935 1.00682.03 C ATOM 43593 O2* A 03095 128.654 -29.251 100.805 1.00682.03 O ATOM 43594 C1* A 03095 130.313 -27.486 100.719 1.00682.03 C ATOM 43595 N9 A 03095 130.615 -26.286 99.931 1.00682.03 N ATOM 43596 C8 A 03095 131.790 -25.959 99.294 1.00682.03 C ATOM 43597 N7 A 03095 131.739 -24.828 98.632 1.00682.03 N ATOM 43598 C5 A 03095 130.445 -24.376 98.850 1.00682.03 C ATOM 43599 C6 A 03095 129.750 -23.232 98.405 1.00682.03 C ATOM 43600 N6 A 03095 130.267 -22.304 97.597 1.00682.03 N ATOM 43601 N1 A 03095 128.481 -23.077 98.822 1.00682.03 N ATOM 43602 C2 A 03095 127.942 -24.007 99.614 1.00682.03 C ATOM 43603 N3 A 03095 128.481 -25.123 100.084 1.00682.03 N ATOM 43604 C4 A 03095 129.749 -25.253 99.661 1.00682.03 C ATOM 43605 P C 03096 130.319 -31.023 97.342 1.00682.03 P ATOM 43606 O1P C 03096 129.972 -32.462 97.258 1.00682.03 O ATOM 43607 O2P C 03096 131.626 -30.554 96.822 1.00682.03 O ATOM 43608 O5* C 03096 129.195 -30.116 96.659 1.00682.03 O ATOM 43609 C5* C 03096 127.875 -30.095 97.199 1.00682.03 C ATOM 43610 C4* C 03096 127.098 -28.864 96.760 1.00682.03 C ATOM 43611 O4* C 03096 127.714 -27.628 97.197 1.00682.03 O ATOM 43612 C3* C 03096 126.842 -28.525 95.298 1.00682.03 C ATOM 43613 O3* C 03096 125.920 -29.398 94.662 1.00682.03 O ATOM 43614 C2* C 03096 126.155 -27.180 95.480 1.00682.03 C ATOM 43615 O2* C 03096 124.843 -27.346 95.975 1.00682.03 O ATOM 43616 C1* C 03096 126.993 -26.560 96.602 1.00682.03 C ATOM 43617 N1 C 03096 127.913 -25.562 96.042 1.00682.03 N ATOM 43618 C2 C 03096 127.440 -24.252 95.867 1.00682.03 C ATOM 43619 O2 C 03096 126.294 -23.967 96.256 1.00682.03 O ATOM 43620 N3 C 03096 128.236 -23.335 95.279 1.00682.03 N ATOM 43621 C4 C 03096 129.460 -23.675 94.880 1.00682.03 C ATOM 43622 N4 C 03096 130.190 -22.741 94.274 1.00682.03 N ATOM 43623 C5 C 03096 129.983 -24.988 95.076 1.00682.03 C ATOM 43624 C6 C 03096 129.185 -25.891 95.661 1.00682.03 C ATOM 43625 P G 03097 125.746 -29.347 93.055 1.00682.03 P ATOM 43626 O1P G 03097 125.031 -30.600 92.698 1.00682.03 O ATOM 43627 O2P G 03097 127.036 -29.021 92.387 1.00682.03 O ATOM 43628 O5* G 03097 124.763 -28.118 92.804 1.00682.03 O ATOM 43629 C5* G 03097 123.386 -28.176 93.235 1.00682.03 C ATOM 43630 C4* G 03097 122.619 -26.969 92.738 1.00682.03 C ATOM 43631 O4* G 03097 123.088 -25.763 93.395 1.00682.03 O ATOM 43632 C3* G 03097 122.752 -26.659 91.256 1.00682.03 C ATOM 43633 O3* G 03097 121.899 -27.484 90.481 1.00682.03 O ATOM 43634 C2* G 03097 122.367 -25.189 91.202 1.00682.03 C ATOM 43635 O2* G 03097 120.970 -24.991 91.284 1.00682.03 O ATOM 43636 C1* G 03097 123.021 -24.673 92.484 1.00682.03 C ATOM 43637 N9 G 03097 124.377 -24.188 92.270 1.00682.03 N ATOM 43638 C8 G 03097 125.553 -24.860 92.521 1.00682.03 C ATOM 43639 N7 G 03097 126.616 -24.150 92.255 1.00682.03 N ATOM 43640 C5 G 03097 126.113 -22.942 91.799 1.00682.03 C ATOM 43641 C6 G 03097 126.780 -21.773 91.380 1.00682.03 C ATOM 43642 O6 G 03097 127.999 -21.552 91.349 1.00682.03 O ATOM 43643 N1 G 03097 125.882 -20.788 90.979 1.00682.03 N ATOM 43644 C2 G 03097 124.517 -20.914 90.989 1.00682.03 C ATOM 43645 N2 G 03097 123.824 -19.860 90.544 1.00682.03 N ATOM 43646 N3 G 03097 123.878 -21.990 91.400 1.00682.03 N ATOM 43647 C4 G 03097 124.730 -22.959 91.786 1.00682.03 C ATOM 43648 P U 03098 122.307 -27.851 88.977 1.00682.03 P ATOM 43649 O1P U 03098 121.313 -28.817 88.463 1.00682.03 O ATOM 43650 O2P U 03098 123.750 -28.177 88.919 1.00682.03 O ATOM 43651 O5* U 03098 122.132 -26.477 88.209 1.00682.03 O ATOM 43652 C5* U 03098 120.891 -25.775 88.246 1.00682.03 C ATOM 43653 C4* U 03098 121.036 -24.451 87.559 1.00682.03 C ATOM 43654 O4* U 03098 121.811 -23.540 88.378 1.00682.03 O ATOM 43655 C3* U 03098 121.822 -24.494 86.266 1.00682.03 C ATOM 43656 O3* U 03098 121.082 -25.071 85.193 1.00682.03 O ATOM 43657 C2* U 03098 122.200 -23.032 86.097 1.00682.03 C ATOM 43658 O2* U 03098 121.120 -22.223 85.689 1.00682.03 O ATOM 43659 C1* U 03098 122.545 -22.658 87.539 1.00682.03 C ATOM 43660 N1 U 03098 123.981 -22.812 87.819 1.00682.03 N ATOM 43661 C2 U 03098 124.804 -21.733 87.544 1.00682.03 C ATOM 43662 O2 U 03098 124.384 -20.671 87.118 1.00682.03 O ATOM 43663 N3 U 03098 126.139 -21.942 87.791 1.00682.03 N ATOM 43664 C4 U 03098 126.723 -23.095 88.280 1.00682.03 C ATOM 43665 O4 U 03098 127.948 -23.144 88.427 1.00682.03 O ATOM 43666 C5 U 03098 125.806 -24.155 88.550 1.00682.03 C ATOM 43667 C6 U 03098 124.501 -23.981 88.318 1.00682.03 C ATOM 43668 P U 03099 120.278 -25.966 83.450 1.00682.03 P ATOM 43669 O1P U 03099 119.307 -26.368 82.395 1.00682.03 O ATOM 43670 O2P U 03099 120.977 -27.005 84.253 1.00682.03 O ATOM 43671 O5* U 03099 121.399 -25.050 82.795 1.00682.03 O ATOM 43672 C5* U 03099 121.039 -23.903 82.011 1.00682.03 C ATOM 43673 C4* U 03099 122.273 -23.143 81.603 1.00682.03 C ATOM 43674 O4* U 03099 122.901 -22.549 82.769 1.00682.03 O ATOM 43675 C3* U 03099 123.380 -23.990 81.011 1.00682.03 C ATOM 43676 O3* U 03099 123.139 -24.335 79.661 1.00682.03 O ATOM 43677 C2* U 03099 124.592 -23.093 81.190 1.00682.03 C ATOM 43678 O2* U 03099 124.651 -22.041 80.255 1.00682.03 O ATOM 43679 C1* U 03099 124.308 -22.495 82.565 1.00682.03 C ATOM 43680 N1 U 03099 124.993 -23.222 83.645 1.00682.03 N ATOM 43681 C2 U 03099 126.344 -22.974 83.808 1.00682.03 C ATOM 43682 O2 U 03099 126.974 -22.227 83.084 1.00682.03 O ATOM 43683 N3 U 03099 126.934 -23.639 84.849 1.00682.03 N ATOM 43684 C4 U 03099 126.336 -24.518 85.718 1.00682.03 C ATOM 43685 O4 U 03099 127.012 -25.023 86.613 1.00682.03 O ATOM 43686 C5 U 03099 124.942 -24.746 85.477 1.00682.03 C ATOM 43687 C6 U 03099 124.332 -24.106 84.473 1.00682.03 C ATOM 43688 P G 03100 124.185 -25.272 78.899 1.00682.03 P ATOM 43689 O1P G 03100 123.606 -25.653 77.590 1.00682.03 O ATOM 43690 O2P G 03100 124.656 -26.327 79.833 1.00682.03 O ATOM 43691 O5* G 03100 125.399 -24.281 78.644 1.00682.03 O ATOM 43692 C5* G 03100 126.693 -24.781 78.329 1.00682.03 C ATOM 43693 C4* G 03100 127.711 -23.676 78.389 1.00682.03 C ATOM 43694 O4* G 03100 127.791 -23.129 79.727 1.00682.03 O ATOM 43695 C3* G 03100 129.106 -24.174 78.112 1.00682.03 C ATOM 43696 O3* G 03100 129.314 -24.262 76.725 1.00682.03 O ATOM 43697 C2* G 03100 129.968 -23.128 78.788 1.00682.03 C ATOM 43698 O2* G 03100 130.080 -21.945 78.028 1.00682.03 O ATOM 43699 C1* G 03100 129.147 -22.864 80.053 1.00682.03 C ATOM 43700 N9 G 03100 129.534 -23.753 81.145 1.00682.03 N ATOM 43701 C8 G 03100 128.754 -24.708 81.757 1.00682.03 C ATOM 43702 N7 G 03100 129.376 -25.337 82.715 1.00682.03 N ATOM 43703 C5 G 03100 130.644 -24.772 82.732 1.00682.03 C ATOM 43704 C6 G 03100 131.761 -25.044 83.565 1.00682.03 C ATOM 43705 O6 G 03100 131.853 -25.864 84.482 1.00682.03 O ATOM 43706 N1 G 03100 132.846 -24.235 83.246 1.00682.03 N ATOM 43707 C2 G 03100 132.858 -23.282 82.259 1.00682.03 C ATOM 43708 N2 G 03100 133.992 -22.591 82.110 1.00682.03 N ATOM 43709 N3 G 03100 131.828 -23.022 81.475 1.00682.03 N ATOM 43710 C4 G 03100 130.759 -23.798 81.768 1.00682.03 C ATOM 43711 P G 03101 130.153 -25.477 76.140 1.00682.03 P ATOM 43712 O1P G 03101 130.037 -25.413 74.666 1.00682.03 O ATOM 43713 O2P G 03101 129.716 -26.700 76.862 1.00682.03 O ATOM 43714 O5* G 03101 131.642 -25.118 76.572 1.00682.03 O ATOM 43715 C5* G 03101 132.322 -23.989 75.989 1.00682.03 C ATOM 43716 C4* G 03101 133.709 -23.846 76.570 1.00682.03 C ATOM 43717 O4* G 03101 133.624 -23.462 77.970 1.00682.03 O ATOM 43718 C3* G 03101 134.563 -25.101 76.616 1.00682.03 C ATOM 43719 O3* G 03101 135.143 -25.446 75.380 1.00682.03 O ATOM 43720 C2* G 03101 135.609 -24.716 77.641 1.00682.03 C ATOM 43721 O2* G 03101 136.563 -23.826 77.100 1.00682.03 O ATOM 43722 C1* G 03101 134.732 -24.015 78.680 1.00682.03 C ATOM 43723 N9 G 03101 134.230 -25.011 79.625 1.00682.03 N ATOM 43724 C8 G 03101 132.991 -25.612 79.630 1.00682.03 C ATOM 43725 N7 G 03101 132.869 -26.525 80.558 1.00682.03 N ATOM 43726 C5 G 03101 134.093 -26.513 81.212 1.00682.03 C ATOM 43727 C6 G 03101 134.564 -27.299 82.298 1.00682.03 C ATOM 43728 O6 G 03101 133.977 -28.203 82.909 1.00682.03 O ATOM 43729 N1 G 03101 135.864 -26.952 82.652 1.00682.03 N ATOM 43730 C2 G 03101 136.621 -25.986 82.037 1.00682.03 C ATOM 43731 N2 G 03101 137.853 -25.790 82.528 1.00682.03 N ATOM 43732 N3 G 03101 136.200 -25.258 81.018 1.00682.03 N ATOM 43733 C4 G 03101 134.936 -25.571 80.662 1.00682.03 C ATOM 43734 P G 03102 134.145 -26.856 74.694 1.00682.03 P ATOM 43735 O1P G 03102 134.612 -26.645 73.299 1.00682.03 O ATOM 43736 O2P G 03102 132.962 -27.712 74.944 1.00682.03 O ATOM 43737 O5* G 03102 135.355 -27.420 75.577 1.00682.03 O ATOM 43738 C5* G 03102 136.670 -26.843 75.473 1.00682.03 C ATOM 43739 C4* G 03102 137.573 -27.312 76.601 1.00682.03 C ATOM 43740 O4* G 03102 136.876 -27.201 77.868 1.00682.03 O ATOM 43741 C3* G 03102 138.035 -28.762 76.620 1.00682.03 C ATOM 43742 O3* G 03102 139.104 -28.998 75.701 1.00682.03 O ATOM 43743 C2* G 03102 138.546 -28.880 78.052 1.00682.03 C ATOM 43744 O2* G 03102 139.812 -28.266 78.211 1.00682.03 O ATOM 43745 C1* G 03102 137.508 -28.052 78.815 1.00682.03 C ATOM 43746 N9 G 03102 136.500 -28.861 79.503 1.00682.03 N ATOM 43747 C8 G 03102 135.169 -29.001 79.184 1.00682.03 C ATOM 43748 N7 G 03102 134.529 -29.805 79.990 1.00682.03 N ATOM 43749 C5 G 03102 135.492 -30.220 80.895 1.00682.03 C ATOM 43750 C6 G 03102 135.391 -31.098 82.002 1.00682.03 C ATOM 43751 O6 G 03102 134.395 -31.705 82.416 1.00682.03 O ATOM 43752 N1 G 03102 136.613 -31.248 82.649 1.00682.03 N ATOM 43753 C2 G 03102 137.782 -30.636 82.281 1.00682.03 C ATOM 43754 N2 G 03102 138.863 -30.920 83.024 1.00682.03 N ATOM 43755 N3 G 03102 137.886 -29.807 81.258 1.00682.03 N ATOM 43756 C4 G 03102 136.713 -29.649 80.612 1.00682.03 C ATOM 43757 P A 03103 139.100 -30.229 75.430 1.00682.03 P ATOM 43758 O1P A 03103 140.042 -30.164 74.286 1.00682.03 O ATOM 43759 O2P A 03103 137.759 -30.825 75.230 1.00682.03 O ATOM 43760 O5* A 03103 139.785 -31.024 76.628 1.00682.03 O ATOM 43761 C5* A 03103 141.141 -30.747 77.036 1.00682.03 C ATOM 43762 C4* A 03103 141.545 -31.692 78.143 1.00682.03 C ATOM 43763 O4* A 03103 140.770 -31.397 79.336 1.00682.03 O ATOM 43764 C3* A 03103 141.252 -33.156 77.857 1.00682.03 C ATOM 43765 O3* A 03103 142.269 -33.764 77.075 1.00682.03 O ATOM 43766 C2* A 03103 141.126 -33.741 79.256 1.00682.03 C ATOM 43767 O2* A 03103 142.384 -33.963 79.862 1.00682.03 O ATOM 43768 C1* A 03103 140.405 -32.606 79.981 1.00682.03 C ATOM 43769 N9 A 03103 138.947 -32.733 79.917 1.00682.03 N ATOM 43770 C8 A 03103 138.080 -32.111 79.048 1.00682.03 C ATOM 43771 N7 A 03103 136.825 -32.433 79.235 1.00682.03 N ATOM 43772 C5 A 03103 136.867 -33.323 80.301 1.00682.03 C ATOM 43773 C6 A 03103 135.862 -34.023 80.986 1.00682.03 C ATOM 43774 N6 A 03103 134.564 -33.933 80.699 1.00682.03 N ATOM 43775 N1 A 03103 136.239 -34.829 81.999 1.00682.03 N ATOM 43776 C2 A 03103 137.540 -34.915 82.297 1.00682.03 C ATOM 43777 N3 A 03103 138.576 -34.303 81.732 1.00682.03 N ATOM 43778 C4 A 03103 138.166 -33.515 80.730 1.00682.03 C ATOM 43779 P C 03104 141.931 -35.085 76.226 1.00682.03 P ATOM 43780 O1P C 03104 143.123 -35.373 75.387 1.00682.03 O ATOM 43781 O2P C 03104 140.604 -34.921 75.582 1.00682.03 O ATOM 43782 O5* C 03104 141.788 -36.219 77.337 1.00682.03 O ATOM 43783 C5* C 03104 142.927 -36.633 78.123 1.00682.03 C ATOM 43784 C4* C 03104 142.557 -37.790 79.023 1.00682.03 C ATOM 43785 O4* C 03104 141.642 -37.348 80.061 1.00682.03 O ATOM 43786 C3* C 03104 141.822 -38.939 78.354 1.00682.03 C ATOM 43787 O3* C 03104 142.697 -39.810 77.651 1.00682.03 O ATOM 43788 C2* C 03104 141.138 -39.617 79.533 1.00682.03 C ATOM 43789 O2* C 03104 141.997 -40.476 80.258 1.00682.03 O ATOM 43790 C1* C 03104 140.753 -38.406 80.391 1.00682.03 C ATOM 43791 N1 C 03104 139.370 -37.957 80.148 1.00682.03 N ATOM 43792 C2 C 03104 138.342 -38.464 80.960 1.00682.03 C ATOM 43793 O2 C 03104 138.629 -39.259 81.872 1.00682.03 O ATOM 43794 N3 C 03104 137.068 -38.080 80.729 1.00682.03 N ATOM 43795 C4 C 03104 136.797 -37.221 79.743 1.00682.03 C ATOM 43796 N4 C 03104 135.523 -36.878 79.548 1.00682.03 N ATOM 43797 C5 C 03104 137.822 -36.682 78.910 1.00682.03 C ATOM 43798 C6 C 03104 139.080 -37.070 79.147 1.00682.03 C ATOM 43799 P G 03105 142.153 -40.620 76.376 1.00682.03 P ATOM 43800 O1P G 03105 143.268 -41.464 75.875 1.00682.03 O ATOM 43801 O2P G 03105 141.512 -39.643 75.459 1.00682.03 O ATOM 43802 O5* G 03105 141.029 -41.572 76.984 1.00682.03 O ATOM 43803 C5* G 03105 141.378 -42.628 77.897 1.00682.03 C ATOM 43804 C4* G 03105 140.136 -43.313 78.421 1.00682.03 C ATOM 43805 O4* G 03105 139.378 -42.391 79.249 1.00682.03 O ATOM 43806 C3* G 03105 139.122 -43.782 77.390 1.00682.03 C ATOM 43807 O3* G 03105 139.475 -45.015 76.780 1.00682.03 O ATOM 43808 C2* G 03105 137.862 -43.920 78.235 1.00682.03 C ATOM 43809 O2* G 03105 137.827 -45.118 78.987 1.00682.03 O ATOM 43810 C1* G 03105 137.993 -42.713 79.167 1.00682.03 C ATOM 43811 N9 G 03105 137.263 -41.549 78.664 1.00682.03 N ATOM 43812 C8 G 03105 137.788 -40.411 78.098 1.00682.03 C ATOM 43813 N7 G 03105 136.876 -39.563 77.707 1.00682.03 N ATOM 43814 C5 G 03105 135.675 -40.175 78.037 1.00682.03 C ATOM 43815 C6 G 03105 134.339 -39.740 77.840 1.00682.03 C ATOM 43816 O6 G 03105 133.939 -38.699 77.304 1.00682.03 O ATOM 43817 N1 G 03105 133.423 -40.664 78.333 1.00682.03 N ATOM 43818 C2 G 03105 133.746 -41.852 78.929 1.00682.03 C ATOM 43819 N2 G 03105 132.716 -42.601 79.342 1.00682.03 N ATOM 43820 N3 G 03105 134.987 -42.276 79.110 1.00682.03 N ATOM 43821 C4 G 03105 135.894 -41.393 78.642 1.00682.03 C ATOM 43822 P U 03106 138.906 -45.370 75.317 1.00682.03 P ATOM 43823 O1P U 03106 139.471 -46.687 74.928 1.00682.03 O ATOM 43824 O2P U 03106 139.133 -44.191 74.444 1.00682.03 O ATOM 43825 O5* U 03106 137.334 -45.541 75.533 1.00682.03 O ATOM 43826 C5* U 03106 136.804 -46.651 76.271 1.00682.03 C ATOM 43827 C4* U 03106 135.307 -46.505 76.445 1.00682.03 C ATOM 43828 O4* U 03106 135.017 -45.257 77.130 1.00682.03 O ATOM 43829 C3* U 03106 134.460 -46.404 75.190 1.00682.03 C ATOM 43830 O3* U 03106 134.232 -47.659 74.573 1.00682.03 O ATOM 43831 C2* U 03106 133.177 -45.799 75.742 1.00682.03 C ATOM 43832 O2* U 03106 132.379 -46.718 76.466 1.00682.03 O ATOM 43833 C1* U 03106 133.751 -44.765 76.707 1.00682.03 C ATOM 43834 N1 U 03106 133.928 -43.500 76.002 1.00682.03 N ATOM 43835 C2 U 03106 132.762 -42.839 75.709 1.00682.03 C ATOM 43836 O2 U 03106 131.665 -43.263 76.049 1.00682.03 O ATOM 43837 N3 U 03106 132.919 -41.667 75.007 1.00682.03 N ATOM 43838 C4 U 03106 134.108 -41.108 74.584 1.00682.03 C ATOM 43839 O4 U 03106 134.087 -40.062 73.930 1.00682.03 O ATOM 43840 C5 U 03106 135.280 -41.852 74.945 1.00682.03 C ATOM 43841 C6 U 03106 135.152 -42.992 75.621 1.00682.03 C ATOM 43842 P G 03107 134.624 -48.371 73.802 1.00682.03 P ATOM 43843 O1P G 03107 134.592 -49.846 73.772 1.00682.03 O ATOM 43844 O2P G 03107 135.547 -47.637 72.903 1.00682.03 O ATOM 43845 O5* G 03107 133.160 -47.832 73.529 1.00682.03 O ATOM 43846 C5* G 03107 132.787 -47.349 72.243 1.00682.03 C ATOM 43847 C4* G 03107 131.338 -46.952 72.260 1.00682.03 C ATOM 43848 O4* G 03107 131.162 -45.818 73.146 1.00682.03 O ATOM 43849 C3* G 03107 130.808 -46.463 70.931 1.00682.03 C ATOM 43850 O3* G 03107 130.481 -47.544 70.066 1.00682.03 O ATOM 43851 C2* G 03107 129.622 -45.619 71.365 1.00682.03 C ATOM 43852 O2* G 03107 128.506 -46.393 71.751 1.00682.03 O ATOM 43853 C1* G 03107 130.214 -44.917 72.589 1.00682.03 C ATOM 43854 N9 G 03107 130.912 -43.692 72.190 1.00682.03 N ATOM 43855 C8 G 03107 132.269 -43.474 72.129 1.00682.03 C ATOM 43856 N7 G 03107 132.577 -42.297 71.653 1.00682.03 N ATOM 43857 C5 G 03107 131.349 -41.700 71.410 1.00682.03 C ATOM 43858 C6 G 03107 131.041 -40.423 70.888 1.00682.03 C ATOM 43859 O6 G 03107 131.813 -39.540 70.515 1.00682.03 O ATOM 43860 N1 G 03107 129.667 -40.220 70.814 1.00682.03 N ATOM 43861 C2 G 03107 128.715 -41.131 71.199 1.00682.03 C ATOM 43862 N2 G 03107 127.441 -40.764 71.065 1.00682.03 N ATOM 43863 N3 G 03107 128.995 -42.322 71.686 1.00682.03 N ATOM 43864 C4 G 03107 130.318 -42.540 71.757 1.00682.03 C ATOM 43865 P G 03108 130.762 -48.692 68.283 1.00682.03 P ATOM 43866 O1P G 03108 130.326 -49.945 67.603 1.00682.03 O ATOM 43867 O2P G 03108 132.108 -48.139 68.005 1.00682.03 O ATOM 43868 O5* G 03108 129.688 -47.559 67.971 1.00682.03 O ATOM 43869 C5* G 03108 128.299 -47.767 68.268 1.00682.03 C ATOM 43870 C4* G 03108 127.489 -46.541 67.918 1.00682.03 C ATOM 43871 O4* G 03108 127.860 -45.429 68.773 1.00682.03 O ATOM 43872 C3* G 03108 127.667 -46.012 66.510 1.00682.03 C ATOM 43873 O3* G 03108 126.845 -46.699 65.596 1.00682.03 O ATOM 43874 C2* G 03108 127.255 -44.558 66.647 1.00682.03 C ATOM 43875 O2* G 03108 125.855 -44.424 66.657 1.00682.03 O ATOM 43876 C1* G 03108 127.797 -44.218 68.034 1.00682.03 C ATOM 43877 N9 G 03108 129.138 -43.636 67.986 1.00682.03 N ATOM 43878 C8 G 03108 130.315 -44.252 68.336 1.00682.03 C ATOM 43879 N7 G 03108 131.358 -43.482 68.196 1.00682.03 N ATOM 43880 C5 G 03108 130.841 -42.283 67.730 1.00682.03 C ATOM 43881 C6 G 03108 131.490 -41.066 67.415 1.00682.03 C ATOM 43882 O6 G 03108 132.689 -40.792 67.498 1.00682.03 O ATOM 43883 N1 G 03108 130.592 -40.112 66.968 1.00682.03 N ATOM 43884 C2 G 03108 129.243 -40.297 66.847 1.00682.03 C ATOM 43885 N2 G 03108 128.545 -39.251 66.393 1.00682.03 N ATOM 43886 N3 G 03108 128.622 -41.419 67.149 1.00682.03 N ATOM 43887 C4 G 03108 129.475 -42.364 67.582 1.00682.03 C ATOM 43888 P U 03109 124.664 -43.315 64.313 1.00936.33 P ATOM 43889 O1P U 03109 123.437 -43.984 63.799 1.00936.33 O ATOM 43890 O2P U 03109 125.885 -44.117 64.588 1.00936.33 O ATOM 43891 O5* U 03109 125.063 -42.133 63.321 1.00936.33 O ATOM 43892 C5* U 03109 124.146 -41.083 63.013 1.00936.33 C ATOM 43893 C4* U 03109 124.873 -39.925 62.363 1.00936.33 C ATOM 43894 O4* U 03109 125.856 -39.378 63.280 1.00936.33 O ATOM 43895 C3* U 03109 125.666 -40.267 61.114 1.00936.33 C ATOM 43896 O3* U 03109 124.791 -40.214 59.988 1.00936.33 O ATOM 43897 C2* U 03109 126.704 -39.146 61.069 1.00936.33 C ATOM 43898 O2* U 03109 126.195 -37.964 60.486 1.00936.33 O ATOM 43899 C1* U 03109 126.973 -38.892 62.557 1.00936.33 C ATOM 43900 N1 U 03109 128.175 -39.545 63.088 1.00936.33 N ATOM 43901 C2 U 03109 129.417 -38.994 62.796 1.00936.33 C ATOM 43902 O2 U 03109 129.558 -37.988 62.137 1.00936.33 O ATOM 43903 N3 U 03109 130.488 -39.670 63.318 1.00936.33 N ATOM 43904 C4 U 03109 130.451 -40.811 64.096 1.00936.33 C ATOM 43905 O4 U 03109 131.506 -41.308 64.501 1.00936.33 O ATOM 43906 C5 U 03109 129.136 -41.309 64.361 1.00936.33 C ATOM 43907 C6 U 03109 128.072 -40.677 63.859 1.00936.33 C ATOM 43908 P G 03110 125.085 -41.120 58.691 1.00936.33 P ATOM 43909 O1P G 03110 123.847 -41.165 57.870 1.00936.33 O ATOM 43910 O2P G 03110 125.714 -42.382 59.159 1.00936.33 O ATOM 43911 O5* G 03110 126.214 -40.324 57.890 1.00936.33 O ATOM 43912 C5* G 03110 125.926 -39.284 56.940 1.00936.33 C ATOM 43913 C4* G 03110 127.211 -38.950 56.235 1.00936.33 C ATOM 43914 O4* G 03110 128.177 -38.852 57.289 1.00936.33 O ATOM 43915 C3* G 03110 127.649 -40.095 55.319 1.00936.33 C ATOM 43916 O3* G 03110 127.836 -39.680 53.955 1.00936.33 O ATOM 43917 C2* G 03110 129.061 -40.478 55.752 1.00936.33 C ATOM 43918 O2* G 03110 130.016 -40.282 54.728 1.00936.33 O ATOM 43919 C1* G 03110 129.333 -39.541 56.927 1.00936.33 C ATOM 43920 N9 G 03110 129.955 -40.090 58.117 1.00936.33 N ATOM 43921 C8 G 03110 129.484 -41.043 58.989 1.00936.33 C ATOM 43922 N7 G 03110 130.318 -41.295 59.965 1.00936.33 N ATOM 43923 C5 G 03110 131.396 -40.450 59.715 1.00936.33 C ATOM 43924 C6 G 03110 132.606 -40.261 60.423 1.00936.33 C ATOM 43925 O6 G 03110 132.977 -40.796 61.470 1.00936.33 O ATOM 43926 N1 G 03110 133.420 -39.325 59.797 1.00936.33 N ATOM 43927 C2 G 03110 133.106 -38.639 58.652 1.00936.33 C ATOM 43928 N2 G 03110 134.024 -37.771 58.200 1.00936.33 N ATOM 43929 N3 G 03110 131.978 -38.795 57.996 1.00936.33 N ATOM 43930 C4 G 03110 131.181 -39.711 58.575 1.00936.33 C ATOM 43931 P C 03111 126.803 -38.695 53.212 1.00936.33 P ATOM 43932 O1P C 03111 127.602 -37.736 52.424 1.00936.33 O ATOM 43933 O2P C 03111 125.759 -38.184 54.134 1.00936.33 O ATOM 43934 O5* C 03111 126.112 -39.677 52.166 1.00936.33 O ATOM 43935 C5* C 03111 126.887 -40.627 51.420 1.00936.33 C ATOM 43936 C4* C 03111 125.966 -41.479 50.578 1.00936.33 C ATOM 43937 O4* C 03111 125.124 -42.227 51.482 1.00936.33 O ATOM 43938 C3* C 03111 125.010 -40.656 49.721 1.00936.33 C ATOM 43939 O3* C 03111 125.388 -40.497 48.346 1.00936.33 O ATOM 43940 C2* C 03111 123.725 -41.484 49.683 1.00936.33 C ATOM 43941 O2* C 03111 123.560 -42.250 48.505 1.00936.33 O ATOM 43942 C1* C 03111 123.864 -42.412 50.891 1.00936.33 C ATOM 43943 N1 C 03111 122.816 -42.247 51.892 1.00936.33 N ATOM 43944 C2 C 03111 121.637 -42.946 51.703 1.00936.33 C ATOM 43945 O2 C 03111 121.541 -43.669 50.704 1.00936.33 O ATOM 43946 N3 C 03111 120.637 -42.826 52.603 1.00936.33 N ATOM 43947 C4 C 03111 120.797 -42.038 53.667 1.00936.33 C ATOM 43948 N4 C 03111 119.784 -41.948 54.540 1.00936.33 N ATOM 43949 C5 C 03111 122.001 -41.307 53.888 1.00936.33 C ATOM 43950 C6 C 03111 122.976 -41.439 52.981 1.00936.33 C ATOM 43951 P G 03112 126.874 -40.854 47.821 1.00936.33 P ATOM 43952 O1P G 03112 127.504 -41.957 48.579 1.00936.33 O ATOM 43953 O2P G 03112 127.578 -39.557 47.683 1.00936.33 O ATOM 43954 O5* G 03112 126.617 -41.407 46.345 1.00936.33 O ATOM 43955 C5* G 03112 125.512 -40.930 45.585 1.00936.33 C ATOM 43956 C4* G 03112 125.796 -40.991 44.096 1.00936.33 C ATOM 43957 O4* G 03112 127.067 -40.351 43.801 1.00936.33 O ATOM 43958 C3* G 03112 125.952 -42.363 43.471 1.00936.33 C ATOM 43959 O3* G 03112 124.685 -42.963 43.239 1.00936.33 O ATOM 43960 C2* G 03112 126.657 -42.017 42.165 1.00936.33 C ATOM 43961 O2* G 03112 125.782 -41.454 41.214 1.00936.33 O ATOM 43962 C1* G 03112 127.621 -40.927 42.625 1.00936.33 C ATOM 43963 N9 G 03112 128.942 -41.468 42.930 1.00936.33 N ATOM 43964 C8 G 03112 129.551 -41.556 44.159 1.00936.33 C ATOM 43965 N7 G 03112 130.722 -42.130 44.107 1.00936.33 N ATOM 43966 C5 G 03112 130.901 -42.429 42.765 1.00936.33 C ATOM 43967 C6 G 03112 131.979 -43.072 42.097 1.00936.33 C ATOM 43968 O6 G 03112 133.017 -43.538 42.575 1.00936.33 O ATOM 43969 N1 G 03112 131.751 -43.163 40.731 1.00936.33 N ATOM 43970 C2 G 03112 130.631 -42.701 40.087 1.00936.33 C ATOM 43971 N2 G 03112 130.602 -42.868 38.760 1.00936.33 N ATOM 43972 N3 G 03112 129.615 -42.115 40.699 1.00936.33 N ATOM 43973 C4 G 03112 129.817 -42.012 42.024 1.00936.33 C ATOM 43974 P U 03113 124.476 -44.527 43.557 1.00936.33 P ATOM 43975 O1P U 03113 123.024 -44.823 43.598 1.00936.33 O ATOM 43976 O2P U 03113 125.322 -44.871 44.731 1.00936.33 O ATOM 43977 O5* U 03113 125.113 -45.253 42.291 1.00936.33 O ATOM 43978 C5* U 03113 124.900 -44.757 40.977 1.00936.33 C ATOM 43979 C4* U 03113 125.967 -45.288 40.054 1.00936.33 C ATOM 43980 O4* U 03113 127.219 -44.588 40.279 1.00936.33 O ATOM 43981 C3* U 03113 126.308 -46.746 40.289 1.00936.33 C ATOM 43982 O3* U 03113 125.389 -47.589 39.616 1.00936.33 O ATOM 43983 C2* U 03113 127.714 -46.852 39.716 1.00936.33 C ATOM 43984 O2* U 03113 127.723 -47.020 38.317 1.00936.33 O ATOM 43985 C1* U 03113 128.304 -45.486 40.085 1.00936.33 C ATOM 43986 N1 U 03113 129.101 -45.545 41.319 1.00936.33 N ATOM 43987 C2 U 03113 130.358 -46.101 41.226 1.00936.33 C ATOM 43988 O2 U 03113 130.829 -46.479 40.166 1.00936.33 O ATOM 43989 N3 U 03113 131.041 -46.198 42.416 1.00936.33 N ATOM 43990 C4 U 03113 130.601 -45.796 43.662 1.00936.33 C ATOM 43991 O4 U 03113 131.298 -46.019 44.657 1.00936.33 O ATOM 43992 C5 U 03113 129.301 -45.198 43.669 1.00936.33 C ATOM 43993 C6 U 03113 128.615 -45.091 42.523 1.00936.33 C ATOM 43994 P A 03114 124.890 -48.941 40.323 1.00936.33 P ATOM 43995 O1P A 03114 123.907 -49.605 39.433 1.00936.33 O ATOM 43996 O2P A 03114 124.514 -48.619 41.731 1.00936.33 O ATOM 43997 O5* A 03114 126.187 -49.857 40.347 1.00936.33 O ATOM 43998 C5* A 03114 126.727 -50.370 39.145 1.00936.33 C ATOM 43999 C4* A 03114 127.960 -51.173 39.442 1.00936.33 C ATOM 44000 O4* A 03114 129.014 -50.296 39.922 1.00936.33 O ATOM 44001 C3* A 03114 127.811 -52.186 40.556 1.00936.33 C ATOM 44002 O3* A 03114 127.199 -53.365 40.078 1.00936.33 O ATOM 44003 C2* A 03114 129.266 -52.418 40.941 1.00936.33 C ATOM 44004 O2* A 03114 129.946 -53.225 39.999 1.00936.33 O ATOM 44005 C1* A 03114 129.819 -50.996 40.862 1.00936.33 C ATOM 44006 N9 A 03114 129.774 -50.275 42.135 1.00936.33 N ATOM 44007 C8 A 03114 128.857 -49.333 42.535 1.00936.33 C ATOM 44008 N7 A 03114 129.087 -48.845 43.731 1.00936.33 N ATOM 44009 C5 A 03114 130.226 -49.516 44.150 1.00936.33 C ATOM 44010 C6 A 03114 130.986 -49.444 45.332 1.00936.33 C ATOM 44011 N6 A 03114 130.686 -48.640 46.352 1.00936.33 N ATOM 44012 N1 A 03114 132.077 -50.235 45.428 1.00936.33 N ATOM 44013 C2 A 03114 132.376 -51.042 44.402 1.00936.33 C ATOM 44014 N3 A 03114 131.738 -51.202 43.241 1.00936.33 N ATOM 44015 C4 A 03114 130.658 -50.401 43.177 1.00936.33 C ATOM 44016 P G 03115 126.471 -54.354 41.110 1.00936.33 P ATOM 44017 O1P G 03115 126.335 -55.669 40.431 1.00936.33 O ATOM 44018 O2P G 03115 125.264 -53.685 41.668 1.00936.33 O ATOM 44019 O5* G 03115 127.506 -54.497 42.310 1.00936.33 O ATOM 44020 C5* G 03115 128.671 -55.310 42.201 1.00936.33 C ATOM 44021 C4* G 03115 129.401 -55.311 43.517 1.00936.33 C ATOM 44022 O4* G 03115 129.840 -53.960 43.810 1.00936.33 O ATOM 44023 C3* G 03115 128.550 -55.704 44.714 1.00936.33 C ATOM 44024 O3* G 03115 128.620 -57.117 44.872 1.00936.33 O ATOM 44025 C2* G 03115 129.271 -55.013 45.864 1.00936.33 C ATOM 44026 O2* G 03115 130.378 -55.755 46.326 1.00936.33 O ATOM 44027 C1* G 03115 129.767 -53.725 45.206 1.00936.33 C ATOM 44028 N9 G 03115 128.862 -52.607 45.435 1.00936.33 N ATOM 44029 C8 G 03115 127.845 -52.191 44.612 1.00936.33 C ATOM 44030 N7 G 03115 127.136 -51.223 45.124 1.00936.33 N ATOM 44031 C5 G 03115 127.730 -50.974 46.353 1.00936.33 C ATOM 44032 C6 G 03115 127.374 -50.060 47.372 1.00936.33 C ATOM 44033 O6 G 03115 126.422 -49.275 47.400 1.00936.33 O ATOM 44034 N1 G 03115 128.250 -50.124 48.450 1.00936.33 N ATOM 44035 C2 G 03115 129.330 -50.965 48.541 1.00936.33 C ATOM 44036 N2 G 03115 130.054 -50.864 49.665 1.00936.33 N ATOM 44037 N3 G 03115 129.671 -51.837 47.601 1.00936.33 N ATOM 44038 C4 G 03115 128.823 -51.793 46.543 1.00936.33 C ATOM 44039 P G 03116 127.327 -57.965 45.322 1.00936.33 P ATOM 44040 O1P G 03116 127.622 -58.522 46.672 1.00936.33 O ATOM 44041 O2P G 03116 126.992 -58.878 44.191 1.00936.33 O ATOM 44042 O5* G 03116 126.134 -56.925 45.493 1.00936.33 O ATOM 44043 C5* G 03116 125.894 -56.324 46.764 1.00936.33 C ATOM 44044 C4* G 03116 124.585 -56.803 47.361 1.00936.33 C ATOM 44045 O4* G 03116 124.584 -58.243 47.523 1.00936.33 O ATOM 44046 C3* G 03116 124.366 -56.296 48.782 1.00936.33 C ATOM 44047 O3* G 03116 123.707 -55.034 48.815 1.00936.33 O ATOM 44048 C2* G 03116 123.424 -57.329 49.404 1.00936.33 C ATOM 44049 O2* G 03116 122.062 -56.947 49.375 1.00936.33 O ATOM 44050 C1* G 03116 123.644 -58.558 48.522 1.00936.33 C ATOM 44051 N9 G 03116 124.014 -59.773 49.235 1.00936.33 N ATOM 44052 C8 G 03116 125.238 -60.152 49.722 1.00936.33 C ATOM 44053 N7 G 03116 125.201 -61.304 50.346 1.00936.33 N ATOM 44054 C5 G 03116 123.874 -61.706 50.250 1.00936.33 C ATOM 44055 C6 G 03116 123.214 -62.873 50.734 1.00936.33 C ATOM 44056 O6 G 03116 123.690 -63.834 51.356 1.00936.33 O ATOM 44057 N1 G 03116 121.859 -62.859 50.418 1.00936.33 N ATOM 44058 C2 G 03116 121.219 -61.868 49.715 1.00936.33 C ATOM 44059 N2 G 03116 119.904 -62.032 49.499 1.00936.33 N ATOM 44060 N3 G 03116 121.821 -60.790 49.256 1.00936.33 N ATOM 44061 C4 G 03116 123.135 -60.772 49.561 1.00936.33 C ATOM 44062 P A 03117 122.907 -54.499 47.527 1.00936.33 P ATOM 44063 O1P A 03117 122.078 -55.602 47.006 1.00936.33 O ATOM 44064 O2P A 03117 123.809 -53.769 46.609 1.00936.33 O ATOM 44065 O5* A 03117 121.930 -53.427 48.157 1.00936.33 O ATOM 44066 C5* A 03117 122.426 -52.162 48.550 1.00936.33 C ATOM 44067 C4* A 03117 122.823 -52.170 50.011 1.00936.33 C ATOM 44068 O4* A 03117 123.817 -53.180 50.276 1.00936.33 O ATOM 44069 C3* A 03117 123.416 -50.840 50.447 1.00936.33 C ATOM 44070 O3* A 03117 122.296 -50.132 50.983 1.00936.33 O ATOM 44071 C2* A 03117 124.469 -51.221 51.483 1.00936.33 C ATOM 44072 O2* A 03117 123.881 -51.320 52.764 1.00936.33 O ATOM 44073 C1* A 03117 124.868 -52.631 51.046 1.00936.33 C ATOM 44074 N9 A 03117 126.133 -52.927 50.363 1.00936.33 N ATOM 44075 C8 A 03117 126.271 -53.269 49.040 1.00936.33 C ATOM 44076 N7 A 03117 127.449 -53.755 48.737 1.00936.33 N ATOM 44077 C5 A 03117 128.158 -53.667 49.924 1.00936.33 C ATOM 44078 C6 A 03117 129.468 -54.059 50.279 1.00936.33 C ATOM 44079 N6 A 03117 130.299 -54.716 49.464 1.00936.33 N ATOM 44080 N1 A 03117 129.887 -53.777 51.529 1.00936.33 N ATOM 44081 C2 A 03117 129.037 -53.180 52.367 1.00936.33 C ATOM 44082 N3 A 03117 127.773 -52.806 52.168 1.00936.33 N ATOM 44083 C4 A 03117 127.385 -53.084 50.912 1.00936.33 C ATOM 44084 P U 03118 122.508 -48.883 51.958 1.00936.33 P ATOM 44085 O1P U 03118 122.480 -49.369 53.359 1.00936.33 O ATOM 44086 O2P U 03118 121.537 -47.861 51.519 1.00936.33 O ATOM 44087 O5* U 03118 123.977 -48.377 51.601 1.00936.33 O ATOM 44088 C5* U 03118 124.199 -47.263 50.736 1.00936.33 C ATOM 44089 C4* U 03118 124.926 -46.193 51.499 1.00936.33 C ATOM 44090 O4* U 03118 124.010 -45.484 52.340 1.00936.33 O ATOM 44091 C3* U 03118 126.014 -46.748 52.410 1.00936.33 C ATOM 44092 O3* U 03118 127.247 -46.333 51.828 1.00936.33 O ATOM 44093 C2* U 03118 125.886 -45.950 53.718 1.00936.33 C ATOM 44094 O2* U 03118 127.034 -45.192 54.023 1.00936.33 O ATOM 44095 C1* U 03118 124.727 -44.990 53.428 1.00936.33 C ATOM 44096 N1 U 03118 123.803 -44.604 54.499 1.00936.33 N ATOM 44097 C2 U 03118 124.245 -43.643 55.393 1.00936.33 C ATOM 44098 O2 U 03118 125.360 -43.153 55.338 1.00936.33 O ATOM 44099 N3 U 03118 123.328 -43.272 56.345 1.00936.33 N ATOM 44100 C4 U 03118 122.040 -43.741 56.487 1.00936.33 C ATOM 44101 O4 U 03118 121.290 -43.200 57.307 1.00936.33 O ATOM 44102 C5 U 03118 121.667 -44.750 55.538 1.00936.33 C ATOM 44103 C6 U 03118 122.541 -45.141 54.602 1.00936.33 C ATOM 44104 P A 03119 128.209 -47.358 51.056 1.00936.33 P ATOM 44105 O1P A 03119 128.279 -46.886 49.654 1.00936.33 O ATOM 44106 O2P A 03119 127.833 -48.772 51.334 1.00936.33 O ATOM 44107 O5* A 03119 129.641 -47.052 51.694 1.00936.33 O ATOM 44108 C5* A 03119 129.923 -47.166 53.107 1.00936.33 C ATOM 44109 C4* A 03119 131.411 -47.019 53.296 1.00936.33 C ATOM 44110 O4* A 03119 132.014 -47.976 52.411 1.00936.33 O ATOM 44111 C3* A 03119 131.864 -45.626 52.873 1.00936.33 C ATOM 44112 O3* A 03119 132.743 -45.063 53.865 1.00936.33 O ATOM 44113 C2* A 03119 132.738 -45.829 51.633 1.00936.33 C ATOM 44114 O2* A 03119 133.982 -45.175 51.660 1.00936.33 O ATOM 44115 C1* A 03119 132.958 -47.338 51.614 1.00936.33 C ATOM 44116 N9 A 03119 133.023 -47.999 50.324 1.00936.33 N ATOM 44117 C8 A 03119 132.093 -48.120 49.327 1.00936.33 C ATOM 44118 N7 A 03119 132.522 -48.808 48.294 1.00936.33 N ATOM 44119 C5 A 03119 133.819 -49.159 48.643 1.00936.33 C ATOM 44120 C6 A 03119 134.812 -49.885 47.984 1.00936.33 C ATOM 44121 N6 A 03119 134.651 -50.422 46.775 1.00936.33 N ATOM 44122 N1 A 03119 135.997 -50.048 48.611 1.00936.33 N ATOM 44123 C2 A 03119 136.162 -49.513 49.820 1.00936.33 C ATOM 44124 N3 A 03119 135.304 -48.810 50.545 1.00936.33 N ATOM 44125 C4 A 03119 134.136 -48.667 49.889 1.00936.33 C ATOM 44126 P G 03120 132.198 -44.537 55.289 1.00936.33 P ATOM 44127 O1P G 03120 132.966 -45.269 56.319 1.00936.33 O ATOM 44128 O2P G 03120 130.703 -44.533 55.340 1.00936.33 O ATOM 44129 O5* G 03120 132.681 -43.023 55.317 1.00936.33 O ATOM 44130 C5* G 03120 132.329 -42.129 54.262 1.00936.33 C ATOM 44131 C4* G 03120 133.389 -41.074 54.120 1.00936.33 C ATOM 44132 O4* G 03120 133.445 -40.285 55.337 1.00936.33 O ATOM 44133 C3* G 03120 134.779 -41.656 53.970 1.00936.33 C ATOM 44134 O3* G 03120 135.049 -41.922 52.603 1.00936.33 O ATOM 44135 C2* G 03120 135.662 -40.570 54.569 1.00936.33 C ATOM 44136 O2* G 03120 135.876 -39.474 53.703 1.00936.33 O ATOM 44137 C1* G 03120 134.791 -40.105 55.734 1.00936.33 C ATOM 44138 N9 G 03120 134.990 -40.855 56.969 1.00936.33 N ATOM 44139 C8 G 03120 134.088 -41.692 57.575 1.00936.33 C ATOM 44140 N7 G 03120 134.519 -42.173 58.706 1.00936.33 N ATOM 44141 C5 G 03120 135.790 -41.634 58.847 1.00936.33 C ATOM 44142 C6 G 03120 136.745 -41.788 59.888 1.00936.33 C ATOM 44143 O6 G 03120 136.649 -42.437 60.933 1.00936.33 O ATOM 44144 N1 G 03120 137.904 -41.076 59.624 1.00936.33 N ATOM 44145 C2 G 03120 138.119 -40.306 58.510 1.00936.33 C ATOM 44146 N2 G 03120 139.308 -39.694 58.434 1.00936.33 N ATOM 44147 N3 G 03120 137.235 -40.146 57.542 1.00936.33 N ATOM 44148 C4 G 03120 136.102 -40.833 57.774 1.00936.33 C ATOM 44149 P G 03121 136.150 -43.010 52.223 1.00936.33 P ATOM 44150 O1P G 03121 136.418 -42.953 50.754 1.00936.33 O ATOM 44151 O2P G 03121 135.809 -44.305 52.863 1.00936.33 O ATOM 44152 O5* G 03121 137.442 -42.493 52.982 1.00936.33 O ATOM 44153 C5* G 03121 138.543 -43.359 53.185 1.00936.33 C ATOM 44154 C4* G 03121 139.624 -42.633 53.922 1.00936.33 C ATOM 44155 O4* G 03121 139.072 -42.050 55.128 1.00936.33 O ATOM 44156 C3* G 03121 140.739 -43.525 54.417 1.00936.33 C ATOM 44157 O3* G 03121 141.678 -43.705 53.379 1.00936.33 O ATOM 44158 C2* G 03121 141.307 -42.707 55.561 1.00936.33 C ATOM 44159 O2* G 03121 142.126 -41.657 55.087 1.00936.33 O ATOM 44160 C1* G 03121 140.026 -42.128 56.163 1.00936.33 C ATOM 44161 N9 G 03121 139.459 -42.948 57.224 1.00936.33 N ATOM 44162 C8 G 03121 138.231 -43.551 57.230 1.00936.33 C ATOM 44163 N7 G 03121 137.994 -44.221 58.325 1.00936.33 N ATOM 44164 C5 G 03121 139.141 -44.053 59.087 1.00936.33 C ATOM 44165 C6 G 03121 139.470 -44.550 60.370 1.00936.33 C ATOM 44166 O6 G 03121 138.791 -45.261 61.113 1.00936.33 O ATOM 44167 N1 G 03121 140.737 -44.139 60.770 1.00936.33 N ATOM 44168 C2 G 03121 141.576 -43.342 60.029 1.00936.33 C ATOM 44169 N2 G 03121 142.751 -43.039 60.590 1.00936.33 N ATOM 44170 N3 G 03121 141.282 -42.869 58.828 1.00936.33 N ATOM 44171 C4 G 03121 140.056 -43.265 58.420 1.00936.33 C ATOM 44172 P U 03122 142.144 -45.178 52.997 1.00936.33 P ATOM 44173 O1P U 03122 142.433 -45.200 51.537 1.00936.33 O ATOM 44174 O2P U 03122 141.158 -46.120 53.571 1.00936.33 O ATOM 44175 O5* U 03122 143.474 -45.390 53.839 1.00936.33 O ATOM 44176 C5* U 03122 144.454 -44.371 53.915 1.00936.33 C ATOM 44177 C4* U 03122 145.084 -44.366 55.280 1.00936.33 C ATOM 44178 O4* U 03122 144.107 -43.976 56.282 1.00936.33 O ATOM 44179 C3* U 03122 145.542 -45.716 55.780 1.00936.33 C ATOM 44180 O3* U 03122 146.785 -46.082 55.233 1.00936.33 O ATOM 44181 C2* U 03122 145.667 -45.468 57.267 1.00936.33 C ATOM 44182 O2* U 03122 146.851 -44.759 57.550 1.00936.33 O ATOM 44183 C1* U 03122 144.437 -44.594 57.518 1.00936.33 C ATOM 44184 N1 U 03122 143.293 -45.406 57.950 1.00936.33 N ATOM 44185 C2 U 03122 143.339 -45.925 59.223 1.00936.33 C ATOM 44186 O2 U 03122 144.262 -45.725 59.982 1.00936.33 O ATOM 44187 N3 U 03122 142.263 -46.690 59.575 1.00936.33 N ATOM 44188 C4 U 03122 141.173 -46.974 58.803 1.00936.33 C ATOM 44189 O4 U 03122 140.271 -47.656 59.278 1.00936.33 O ATOM 44190 C5 U 03122 141.193 -46.397 57.497 1.00936.33 C ATOM 44191 C6 U 03122 142.224 -45.647 57.125 1.00936.33 C ATOM 44192 P G 03123 147.087 -47.626 54.972 1.00936.33 P ATOM 44193 O1P G 03123 148.167 -47.684 53.960 1.00936.33 O ATOM 44194 O2P G 03123 145.794 -48.302 54.718 1.00936.33 O ATOM 44195 O5* G 03123 147.621 -48.161 56.372 1.00936.33 O ATOM 44196 C5* G 03123 148.897 -47.766 56.851 1.00936.33 C ATOM 44197 C4* G 03123 149.082 -48.211 58.273 1.00936.33 C ATOM 44198 O4* G 03123 148.038 -47.633 59.101 1.00936.33 O ATOM 44199 C3* G 03123 148.934 -49.699 58.515 1.00936.33 C ATOM 44200 O3* G 03123 150.121 -50.401 58.161 1.00936.33 O ATOM 44201 C2* G 03123 148.653 -49.729 60.013 1.00936.33 C ATOM 44202 O2* G 03123 149.814 -49.507 60.788 1.00936.33 O ATOM 44203 C1* G 03123 147.719 -48.525 60.159 1.00936.33 C ATOM 44204 N9 G 03123 146.310 -48.889 60.041 1.00936.33 N ATOM 44205 C8 G 03123 145.483 -48.675 58.960 1.00936.33 C ATOM 44206 N7 G 03123 144.262 -49.094 59.157 1.00936.33 N ATOM 44207 C5 G 03123 144.283 -49.622 60.443 1.00936.33 C ATOM 44208 C6 G 03123 143.251 -50.229 61.207 1.00936.33 C ATOM 44209 O6 G 03123 142.075 -50.407 60.905 1.00936.33 O ATOM 44210 N1 G 03123 143.709 -50.636 62.449 1.00936.33 N ATOM 44211 C2 G 03123 144.989 -50.479 62.910 1.00936.33 C ATOM 44212 N2 G 03123 145.232 -50.939 64.146 1.00936.33 N ATOM 44213 N3 G 03123 145.961 -49.912 62.213 1.00936.33 N ATOM 44214 C4 G 03123 145.540 -49.511 60.998 1.00936.33 C ATOM 44215 P G 03124 150.036 -51.967 57.801 1.00936.33 P ATOM 44216 O1P G 03124 151.410 -52.465 57.507 1.00936.33 O ATOM 44217 O2P G 03124 148.957 -52.166 56.802 1.00936.33 O ATOM 44218 O5* G 03124 149.539 -52.638 59.159 1.00936.33 O ATOM 44219 C5* G 03124 150.421 -52.775 60.268 1.00936.33 C ATOM 44220 C4* G 03124 149.718 -53.451 61.418 1.00936.33 C ATOM 44221 O4* G 03124 148.581 -52.640 61.811 1.00936.33 O ATOM 44222 C3* G 03124 149.105 -54.813 61.137 1.00936.33 C ATOM 44223 O3* G 03124 150.051 -55.871 61.236 1.00936.33 O ATOM 44224 C2* G 03124 148.078 -54.918 62.252 1.00936.33 C ATOM 44225 O2* G 03124 148.633 -55.277 63.497 1.00936.33 O ATOM 44226 C1* G 03124 147.553 -53.485 62.301 1.00936.33 C ATOM 44227 N9 G 03124 146.371 -53.357 61.455 1.00936.33 N ATOM 44228 C8 G 03124 146.275 -52.846 60.177 1.00936.33 C ATOM 44229 N7 G 03124 145.070 -52.925 59.686 1.00936.33 N ATOM 44230 C5 G 03124 144.331 -53.518 60.701 1.00936.33 C ATOM 44231 C6 G 03124 142.959 -53.879 60.756 1.00936.33 C ATOM 44232 O6 G 03124 142.096 -53.752 59.884 1.00936.33 O ATOM 44233 N1 G 03124 142.630 -54.445 61.989 1.00936.33 N ATOM 44234 C2 G 03124 143.514 -54.640 63.031 1.00936.33 C ATOM 44235 N2 G 03124 143.022 -55.178 64.154 1.00936.33 N ATOM 44236 N3 G 03124 144.790 -54.325 62.978 1.00936.33 N ATOM 44237 C4 G 03124 145.125 -53.772 61.799 1.00936.33 C ATOM 44238 P G 03125 150.108 -56.992 60.087 1.00936.33 P ATOM 44239 O1P G 03125 151.197 -57.937 60.401 1.00936.33 O ATOM 44240 O2P G 03125 150.122 -56.267 58.800 1.00936.33 O ATOM 44241 O5* G 03125 148.715 -57.763 60.216 1.00936.33 O ATOM 44242 C5* G 03125 148.345 -58.431 61.419 1.00936.33 C ATOM 44243 C4* G 03125 146.875 -58.777 61.395 1.00936.33 C ATOM 44244 O4* G 03125 146.096 -57.551 61.347 1.00936.33 O ATOM 44245 C3* G 03125 146.395 -59.584 60.193 1.00936.33 C ATOM 44246 O3* G 03125 146.543 -60.980 60.421 1.00936.33 O ATOM 44247 C2* G 03125 144.913 -59.236 60.141 1.00936.33 C ATOM 44248 O2* G 03125 144.138 -59.991 61.042 1.00936.33 O ATOM 44249 C1* G 03125 144.919 -57.767 60.575 1.00936.33 C ATOM 44250 N9 G 03125 144.952 -56.882 59.419 1.00936.33 N ATOM 44251 C8 G 03125 146.065 -56.354 58.815 1.00936.33 C ATOM 44252 N7 G 03125 145.785 -55.632 57.767 1.00936.33 N ATOM 44253 C5 G 03125 144.407 -55.671 57.681 1.00936.33 C ATOM 44254 C6 G 03125 143.541 -55.090 56.737 1.00936.33 C ATOM 44255 O6 G 03125 143.833 -54.400 55.753 1.00936.33 O ATOM 44256 N1 G 03125 142.207 -55.383 57.015 1.00936.33 N ATOM 44257 C2 G 03125 141.766 -56.145 58.071 1.00936.33 C ATOM 44258 N2 G 03125 140.432 -56.279 58.188 1.00936.33 N ATOM 44259 N3 G 03125 142.575 -56.716 58.954 1.00936.33 N ATOM 44260 C4 G 03125 143.875 -56.432 58.700 1.00936.33 C ATOM 44261 P A 03126 147.537 -61.844 59.502 1.00936.33 P ATOM 44262 O1P A 03126 148.933 -61.647 59.968 1.00936.33 O ATOM 44263 O2P A 03126 147.194 -61.594 58.078 1.00936.33 O ATOM 44264 O5* A 03126 147.132 -63.348 59.825 1.00936.33 O ATOM 44265 C5* A 03126 146.679 -63.740 61.118 1.00936.33 C ATOM 44266 C4* A 03126 145.342 -64.404 60.986 1.00936.33 C ATOM 44267 O4* A 03126 144.362 -63.394 60.701 1.00936.33 O ATOM 44268 C3* A 03126 145.284 -65.411 59.847 1.00936.33 C ATOM 44269 O3* A 03126 145.587 -66.745 60.312 1.00936.33 O ATOM 44270 C2* A 03126 143.928 -65.214 59.170 1.00936.33 C ATOM 44271 O2* A 03126 143.006 -66.239 59.450 1.00936.33 O ATOM 44272 C1* A 03126 143.449 -63.873 59.743 1.00936.33 C ATOM 44273 N9 A 03126 143.125 -62.762 58.854 1.00936.33 N ATOM 44274 C8 A 03126 143.940 -62.030 58.023 1.00936.33 C ATOM 44275 N7 A 03126 143.337 -61.005 57.464 1.00936.33 N ATOM 44276 C5 A 03126 142.030 -61.083 57.938 1.00936.33 C ATOM 44277 C6 A 03126 140.894 -60.272 57.747 1.00936.33 C ATOM 44278 N6 A 03126 140.879 -59.168 56.990 1.00936.33 N ATOM 44279 N1 A 03126 139.755 -60.634 58.373 1.00936.33 N ATOM 44280 C2 A 03126 139.759 -61.733 59.133 1.00936.33 C ATOM 44281 N3 A 03126 140.757 -62.569 59.395 1.00936.33 N ATOM 44282 C4 A 03126 141.880 -62.181 58.765 1.00936.33 C ATOM 44283 P G 03127 142.944 -65.547 63.105 1.00898.52 P ATOM 44284 O1P G 03127 144.174 -65.298 63.897 1.00898.52 O ATOM 44285 O2P G 03127 142.231 -66.849 63.239 1.00898.52 O ATOM 44286 O5* G 03127 141.912 -64.363 63.396 1.00898.52 O ATOM 44287 C5* G 03127 142.367 -63.002 63.539 1.00898.52 C ATOM 44288 C4* G 03127 141.205 -62.032 63.483 1.00898.52 C ATOM 44289 O4* G 03127 140.392 -62.346 62.317 1.00898.52 O ATOM 44290 C3* G 03127 140.188 -62.057 64.619 1.00898.52 C ATOM 44291 O3* G 03127 140.600 -61.359 65.797 1.00898.52 O ATOM 44292 C2* G 03127 138.997 -61.376 63.964 1.00898.52 C ATOM 44293 O2* G 03127 139.162 -59.972 63.852 1.00898.52 O ATOM 44294 C1* G 03127 139.036 -62.008 62.574 1.00898.52 C ATOM 44295 N9 G 03127 138.230 -63.226 62.556 1.00898.52 N ATOM 44296 C8 G 03127 138.672 -64.531 62.572 1.00898.52 C ATOM 44297 N7 G 03127 137.695 -65.400 62.612 1.00898.52 N ATOM 44298 C5 G 03127 136.542 -64.625 62.611 1.00898.52 C ATOM 44299 C6 G 03127 135.173 -65.004 62.658 1.00898.52 C ATOM 44300 O6 G 03127 134.684 -66.140 62.723 1.00898.52 O ATOM 44301 N1 G 03127 134.338 -63.895 62.625 1.00898.52 N ATOM 44302 C2 G 03127 134.756 -62.596 62.561 1.00898.52 C ATOM 44303 N2 G 03127 133.794 -61.675 62.527 1.00898.52 N ATOM 44304 N3 G 03127 136.019 -62.226 62.529 1.00898.52 N ATOM 44305 C4 G 03127 136.853 -63.285 62.557 1.00898.52 C ATOM 44306 P G 03128 139.964 -61.766 67.230 1.00898.52 P ATOM 44307 O1P G 03128 140.717 -61.005 68.258 1.00898.52 O ATOM 44308 O2P G 03128 139.901 -63.247 67.309 1.00898.52 O ATOM 44309 O5* G 03128 138.469 -61.199 67.199 1.00898.52 O ATOM 44310 C5* G 03128 138.222 -59.798 66.989 1.00898.52 C ATOM 44311 C4* G 03128 136.789 -59.554 66.555 1.00898.52 C ATOM 44312 O4* G 03128 136.428 -60.472 65.486 1.00898.52 O ATOM 44313 C3* G 03128 135.678 -59.772 67.569 1.00898.52 C ATOM 44314 O3* G 03128 135.573 -58.705 68.513 1.00898.52 O ATOM 44315 C2* G 03128 134.461 -59.859 66.653 1.00898.52 C ATOM 44316 O2* G 03128 134.068 -58.606 66.118 1.00898.52 O ATOM 44317 C1* G 03128 135.022 -60.702 65.511 1.00898.52 C ATOM 44318 N9 G 03128 134.766 -62.129 65.705 1.00898.52 N ATOM 44319 C8 G 03128 135.691 -63.107 65.985 1.00898.52 C ATOM 44320 N7 G 03128 135.157 -64.288 66.135 1.00898.52 N ATOM 44321 C5 G 03128 133.800 -64.082 65.938 1.00898.52 C ATOM 44322 C6 G 03128 132.720 -64.997 65.983 1.00898.52 C ATOM 44323 O6 G 03128 132.751 -66.215 66.206 1.00898.52 O ATOM 44324 N1 G 03128 131.505 -64.368 65.726 1.00898.52 N ATOM 44325 C2 G 03128 131.353 -63.034 65.451 1.00898.52 C ATOM 44326 N2 G 03128 130.104 -62.622 65.211 1.00898.52 N ATOM 44327 N3 G 03128 132.353 -62.167 65.407 1.00898.52 N ATOM 44328 C4 G 03128 133.540 -62.757 65.664 1.00898.52 C ATOM 44329 P C 03129 134.955 -58.991 69.977 1.00898.52 P ATOM 44330 O1P C 03129 135.205 -57.771 70.799 1.00898.52 O ATOM 44331 O2P C 03129 135.424 -60.314 70.472 1.00898.52 O ATOM 44332 O5* C 03129 133.388 -59.112 69.728 1.00898.52 O ATOM 44333 C5* C 03129 132.644 -58.026 69.157 1.00898.52 C ATOM 44334 C4* C 03129 131.206 -58.430 68.951 1.00898.52 C ATOM 44335 O4* C 03129 131.124 -59.515 67.985 1.00898.52 O ATOM 44336 C3* C 03129 130.503 -59.003 70.170 1.00898.52 C ATOM 44337 O3* C 03129 130.072 -57.999 71.077 1.00898.52 O ATOM 44338 C2* C 03129 129.347 -59.759 69.536 1.00898.52 C ATOM 44339 O2* C 03129 128.305 -58.901 69.114 1.00898.52 O ATOM 44340 C1* C 03129 130.037 -60.366 68.315 1.00898.52 C ATOM 44341 N1 C 03129 130.553 -61.720 68.585 1.00898.52 N ATOM 44342 C2 C 03129 129.652 -62.793 68.605 1.00898.52 C ATOM 44343 O2 C 03129 128.450 -62.572 68.408 1.00898.52 O ATOM 44344 N3 C 03129 130.110 -64.042 68.842 1.00898.52 N ATOM 44345 C4 C 03129 131.412 -64.245 69.055 1.00898.52 C ATOM 44346 N4 C 03129 131.820 -65.499 69.274 1.00898.52 N ATOM 44347 C5 C 03129 132.353 -63.173 69.050 1.00898.52 C ATOM 44348 C6 C 03129 131.884 -61.941 68.813 1.00898.52 C ATOM 44349 P G 03130 129.969 -58.344 72.645 1.00898.52 P ATOM 44350 O1P G 03130 129.434 -57.132 73.320 1.00898.52 O ATOM 44351 O2P G 03130 131.259 -58.938 73.088 1.00898.52 O ATOM 44352 O5* G 03130 128.863 -59.490 72.713 1.00898.52 O ATOM 44353 C5* G 03130 127.500 -59.221 72.350 1.00898.52 C ATOM 44354 C4* G 03130 126.667 -60.466 72.513 1.00898.52 C ATOM 44355 O4* G 03130 127.046 -61.463 71.524 1.00898.52 O ATOM 44356 C3* G 03130 126.847 -61.221 73.817 1.00898.52 C ATOM 44357 O3* G 03130 126.189 -60.607 74.907 1.00898.52 O ATOM 44358 C2* G 03130 126.257 -62.578 73.462 1.00898.52 C ATOM 44359 O2* G 03130 124.845 -62.535 73.392 1.00898.52 O ATOM 44360 C1* G 03130 126.815 -62.767 72.053 1.00898.52 C ATOM 44361 N9 G 03130 128.080 -63.495 72.079 1.00898.52 N ATOM 44362 C8 G 03130 129.346 -62.978 71.951 1.00898.52 C ATOM 44363 N7 G 03130 130.282 -63.883 72.044 1.00898.52 N ATOM 44364 C5 G 03130 129.591 -65.074 72.241 1.00898.52 C ATOM 44365 C6 G 03130 130.073 -66.400 72.419 1.00898.52 C ATOM 44366 O6 G 03130 131.242 -66.801 72.446 1.00898.52 O ATOM 44367 N1 G 03130 129.026 -67.306 72.578 1.00898.52 N ATOM 44368 C2 G 03130 127.693 -66.977 72.576 1.00898.52 C ATOM 44369 N2 G 03130 126.836 -67.990 72.744 1.00898.52 N ATOM 44370 N3 G 03130 127.235 -65.748 72.420 1.00898.52 N ATOM 44371 C4 G 03130 128.231 -64.853 72.258 1.00898.52 C ATOM 44372 P A 03131 127.010 -60.302 76.255 1.00898.52 P ATOM 44373 O1P A 03131 127.385 -58.870 76.220 1.00898.52 O ATOM 44374 O2P A 03131 128.068 -61.334 76.425 1.00898.52 O ATOM 44375 O5* A 03131 125.931 -60.534 77.402 1.00898.52 O ATOM 44376 C5* A 03131 125.226 -61.787 77.510 1.00898.52 C ATOM 44377 C4* A 03131 124.973 -62.113 78.961 1.00898.52 C ATOM 44378 O4* A 03131 124.133 -63.294 79.057 1.00898.52 O ATOM 44379 C3* A 03131 126.220 -62.415 79.783 1.00898.52 C ATOM 44380 O3* A 03131 126.011 -61.987 81.122 1.00898.52 O ATOM 44381 C2* A 03131 126.279 -63.934 79.751 1.00898.52 C ATOM 44382 O2* A 03131 126.976 -64.471 80.861 1.00898.52 O ATOM 44383 C1* A 03131 124.794 -64.286 79.814 1.00898.52 C ATOM 44384 N9 A 03131 124.459 -65.593 79.247 1.00898.52 N ATOM 44385 C8 A 03131 123.809 -66.624 79.876 1.00898.52 C ATOM 44386 N7 A 03131 123.642 -67.680 79.123 1.00898.52 N ATOM 44387 C5 A 03131 124.220 -67.327 77.918 1.00898.52 C ATOM 44388 C6 A 03131 124.375 -68.022 76.709 1.00898.52 C ATOM 44389 N6 A 03131 123.934 -69.265 76.512 1.00898.52 N ATOM 44390 N1 A 03131 125.010 -67.387 75.697 1.00898.52 N ATOM 44391 C2 A 03131 125.448 -66.134 75.900 1.00898.52 C ATOM 44392 N3 A 03131 125.360 -65.377 76.989 1.00898.52 N ATOM 44393 C4 A 03131 124.730 -66.042 77.976 1.00898.52 C ATOM 44394 P A 03132 127.025 -60.937 81.788 1.00898.52 P ATOM 44395 O1P A 03132 128.400 -61.194 81.269 1.00898.52 O ATOM 44396 O2P A 03132 126.762 -61.007 83.248 1.00898.52 O ATOM 44397 O5* A 03132 126.521 -59.524 81.253 1.00898.52 O ATOM 44398 C5* A 03132 125.249 -59.001 81.671 1.00898.52 C ATOM 44399 C4* A 03132 124.900 -57.766 80.883 1.00898.52 C ATOM 44400 O4* A 03132 125.921 -56.754 81.114 1.00898.52 O ATOM 44401 C3* A 03132 124.805 -57.929 79.363 1.00898.52 C ATOM 44402 O3* A 03132 123.808 -57.036 78.862 1.00898.52 O ATOM 44403 C2* A 03132 126.166 -57.422 78.897 1.00898.52 C ATOM 44404 O2* A 03132 126.155 -56.929 77.571 1.00898.52 O ATOM 44405 C1* A 03132 126.376 -56.271 79.872 1.00898.52 C ATOM 44406 N9 A 03132 127.737 -55.756 80.016 1.00898.52 N ATOM 44407 C8 A 03132 128.940 -56.421 80.067 1.00898.52 C ATOM 44408 N7 A 03132 129.979 -55.626 80.175 1.00898.52 N ATOM 44409 C5 A 03132 129.423 -54.353 80.200 1.00898.52 C ATOM 44410 C6 A 03132 129.990 -53.065 80.298 1.00898.52 C ATOM 44411 N6 A 03132 131.303 -52.834 80.378 1.00898.52 N ATOM 44412 N1 A 03132 129.147 -52.006 80.306 1.00898.52 N ATOM 44413 C2 A 03132 127.828 -52.233 80.216 1.00898.52 C ATOM 44414 N3 A 03132 127.178 -53.386 80.113 1.00898.52 N ATOM 44415 C4 A 03132 128.042 -54.421 80.112 1.00898.52 C ATOM 44416 P G 03133 122.296 -57.538 78.696 1.00898.52 P ATOM 44417 O1P G 03133 121.549 -56.544 77.877 1.00898.52 O ATOM 44418 O2P G 03133 121.793 -57.891 80.044 1.00898.52 O ATOM 44419 O5* G 03133 122.431 -58.896 77.884 1.00898.52 O ATOM 44420 C5* G 03133 123.007 -58.924 76.566 1.00898.52 C ATOM 44421 C4* G 03133 122.285 -59.943 75.718 1.00898.52 C ATOM 44422 O4* G 03133 122.394 -61.242 76.365 1.00898.52 O ATOM 44423 C3* G 03133 120.791 -59.688 75.548 1.00898.52 C ATOM 44424 O3* G 03133 120.356 -60.197 74.294 1.00898.52 O ATOM 44425 C2* G 03133 120.185 -60.490 76.692 1.00898.52 C ATOM 44426 O2* G 03133 118.837 -60.859 76.477 1.00898.52 O ATOM 44427 C1* G 03133 121.111 -61.705 76.736 1.00898.52 C ATOM 44428 N9 G 03133 121.215 -62.291 78.072 1.00898.52 N ATOM 44429 C8 G 03133 121.516 -61.629 79.241 1.00898.52 C ATOM 44430 N7 G 03133 121.511 -62.410 80.287 1.00898.52 N ATOM 44431 C5 G 03133 121.193 -63.665 79.779 1.00898.52 C ATOM 44432 C6 G 03133 121.031 -64.909 80.443 1.00898.52 C ATOM 44433 O6 G 03133 121.128 -65.159 81.656 1.00898.52 O ATOM 44434 N1 G 03133 120.717 -65.928 79.545 1.00898.52 N ATOM 44435 C2 G 03133 120.567 -65.769 78.189 1.00898.52 C ATOM 44436 N2 G 03133 120.259 -66.871 77.492 1.00898.52 N ATOM 44437 N3 G 03133 120.710 -64.614 77.562 1.00898.52 N ATOM 44438 C4 G 03133 121.018 -63.609 78.412 1.00898.52 C ATOM 44439 P A 03134 119.634 -59.230 73.244 1.00898.52 P ATOM 44440 O1P A 03134 119.639 -57.849 73.788 1.00898.52 O ATOM 44441 O2P A 03134 118.353 -59.850 72.853 1.00898.52 O ATOM 44442 O5* A 03134 120.607 -59.271 71.986 1.00898.52 O ATOM 44443 C5* A 03134 121.788 -58.441 71.928 1.00898.52 C ATOM 44444 C4* A 03134 122.795 -59.029 70.971 1.00898.52 C ATOM 44445 O4* A 03134 123.364 -60.242 71.539 1.00898.52 O ATOM 44446 C3* A 03134 122.249 -59.468 69.624 1.00898.52 C ATOM 44447 O3* A 03134 122.113 -58.382 68.713 1.00898.52 O ATOM 44448 C2* A 03134 123.293 -60.485 69.187 1.00898.52 C ATOM 44449 O2* A 03134 124.478 -59.861 68.739 1.00898.52 O ATOM 44450 C1* A 03134 123.576 -61.200 70.509 1.00898.52 C ATOM 44451 N9 A 03134 122.651 -62.314 70.730 1.00898.52 N ATOM 44452 C8 A 03134 121.610 -62.375 71.629 1.00898.52 C ATOM 44453 N7 A 03134 120.916 -63.485 71.561 1.00898.52 N ATOM 44454 C5 A 03134 121.543 -64.211 70.558 1.00898.52 C ATOM 44455 C6 A 03134 121.278 -65.475 70.001 1.00898.52 C ATOM 44456 N6 A 03134 120.275 -66.258 70.389 1.00898.52 N ATOM 44457 N1 A 03134 122.093 -65.909 69.015 1.00898.52 N ATOM 44458 C2 A 03134 123.104 -65.124 68.627 1.00898.52 C ATOM 44459 N3 A 03134 123.457 -63.917 69.073 1.00898.52 N ATOM 44460 C4 A 03134 122.624 -63.510 70.049 1.00898.52 C ATOM 44461 P A 03135 120.830 -58.309 67.744 1.00898.52 P ATOM 44462 O1P A 03135 121.025 -57.161 66.826 1.00898.52 O ATOM 44463 O2P A 03135 119.596 -58.387 68.552 1.00898.52 O ATOM 44464 O5* A 03135 120.925 -59.650 66.892 1.00898.52 O ATOM 44465 C5* A 03135 122.069 -59.922 66.062 1.00898.52 C ATOM 44466 C4* A 03135 121.974 -61.307 65.459 1.00898.52 C ATOM 44467 O4* A 03135 121.910 -62.301 66.517 1.00898.52 O ATOM 44468 C3* A 03135 120.748 -61.603 64.604 1.00898.52 C ATOM 44469 O3* A 03135 120.920 -61.114 63.280 1.00898.52 O ATOM 44470 C2* A 03135 120.709 -63.127 64.631 1.00898.52 C ATOM 44471 O2* A 03135 121.642 -63.724 63.755 1.00898.52 O ATOM 44472 C1* A 03135 121.147 -63.415 66.069 1.00898.52 C ATOM 44473 N9 A 03135 120.008 -63.598 66.963 1.00898.52 N ATOM 44474 C8 A 03135 119.369 -62.662 67.744 1.00898.52 C ATOM 44475 N7 A 03135 118.350 -63.140 68.411 1.00898.52 N ATOM 44476 C5 A 03135 118.319 -64.482 68.059 1.00898.52 C ATOM 44477 C6 A 03135 117.468 -65.540 68.424 1.00898.52 C ATOM 44478 N6 A 03135 116.442 -65.405 69.267 1.00898.52 N ATOM 44479 N1 A 03135 117.711 -66.756 67.885 1.00898.52 N ATOM 44480 C2 A 03135 118.737 -66.890 67.042 1.00898.52 C ATOM 44481 N3 A 03135 119.601 -65.977 66.618 1.00898.52 N ATOM 44482 C4 A 03135 119.336 -64.779 67.172 1.00898.52 C ATOM 44483 P C 03136 119.923 -59.907 62.835 1.00898.52 P ATOM 44484 O1P C 03136 120.171 -59.672 61.390 1.00898.52 O ATOM 44485 O2P C 03136 119.696 -58.750 63.742 1.00898.52 O ATOM 44486 O5* C 03136 118.690 -60.897 62.996 1.00898.52 O ATOM 44487 C5* C 03136 118.531 -62.027 62.133 1.00898.52 C ATOM 44488 C4* C 03136 117.271 -62.762 62.484 1.00898.52 C ATOM 44489 O4* C 03136 117.384 -63.289 63.831 1.00898.52 O ATOM 44490 C3* C 03136 116.025 -61.900 62.540 1.00898.52 C ATOM 44491 O3* C 03136 115.474 -61.698 61.262 1.00898.52 O ATOM 44492 C2* C 03136 115.116 -62.718 63.441 1.00898.52 C ATOM 44493 O2* C 03136 114.550 -63.825 62.773 1.00898.52 O ATOM 44494 C1* C 03136 116.121 -63.214 64.479 1.00898.52 C ATOM 44495 N1 C 03136 116.246 -62.308 65.638 1.00898.52 N ATOM 44496 C2 C 03136 115.400 -62.502 66.738 1.00898.52 C ATOM 44497 O2 C 03136 114.539 -63.392 66.685 1.00898.52 O ATOM 44498 N3 C 03136 115.539 -61.710 67.827 1.00898.52 N ATOM 44499 C4 C 03136 116.468 -60.744 67.839 1.00898.52 C ATOM 44500 N4 C 03136 116.590 -60.001 68.946 1.00898.52 N ATOM 44501 C5 C 03136 117.318 -60.505 66.718 1.00898.52 C ATOM 44502 C6 C 03136 117.177 -61.302 65.653 1.00898.52 C ATOM 44503 P C 03137 114.642 -60.367 60.972 1.00898.52 P ATOM 44504 O1P C 03137 114.298 -60.374 59.527 1.00898.52 O ATOM 44505 O2P C 03137 115.388 -59.219 61.539 1.00898.52 O ATOM 44506 O5* C 03137 113.319 -60.570 61.829 1.00898.52 O ATOM 44507 C5* C 03137 112.318 -61.502 61.404 1.00898.52 C ATOM 44508 C4* C 03137 111.153 -61.492 62.357 1.00898.52 C ATOM 44509 O4* C 03137 111.602 -61.913 63.670 1.00898.52 O ATOM 44510 C3* C 03137 110.494 -60.149 62.618 1.00898.52 C ATOM 44511 O3* C 03137 109.589 -59.799 61.584 1.00898.52 O ATOM 44512 C2* C 03137 109.772 -60.439 63.922 1.00898.52 C ATOM 44513 O2* C 03137 108.654 -61.280 63.717 1.00898.52 O ATOM 44514 C1* C 03137 110.829 -61.255 64.663 1.00898.52 C ATOM 44515 N1 C 03137 111.726 -60.414 65.484 1.00898.52 N ATOM 44516 C2 C 03137 111.307 -60.031 66.774 1.00898.52 C ATOM 44517 O2 C 03137 110.181 -60.376 67.177 1.00898.52 O ATOM 44518 N3 C 03137 112.139 -59.288 67.543 1.00898.52 N ATOM 44519 C4 C 03137 113.330 -58.912 67.068 1.00898.52 C ATOM 44520 N4 C 03137 114.119 -58.183 67.862 1.00898.52 N ATOM 44521 C5 C 03137 113.770 -59.269 65.759 1.00898.52 C ATOM 44522 C6 C 03137 112.948 -60.013 65.010 1.00898.52 C ATOM 44523 P C 03138 109.316 -58.248 61.249 1.00898.52 P ATOM 44524 O1P C 03138 108.485 -58.225 60.020 1.00898.52 O ATOM 44525 O2P C 03138 110.586 -57.483 61.293 1.00898.52 O ATOM 44526 O5* C 03138 108.417 -57.749 62.454 1.00898.52 O ATOM 44527 C5* C 03138 107.077 -58.218 62.607 1.00898.52 C ATOM 44528 C4* C 03138 106.486 -57.640 63.852 1.00898.52 C ATOM 44529 O4* C 03138 107.283 -58.064 64.987 1.00898.52 O ATOM 44530 C3* C 03138 106.531 -56.127 63.969 1.00898.52 C ATOM 44531 O3* C 03138 105.519 -55.472 63.220 1.00898.52 O ATOM 44532 C2* C 03138 106.337 -55.945 65.462 1.00898.52 C ATOM 44533 O2* C 03138 104.998 -56.208 65.830 1.00898.52 O ATOM 44534 C1* C 03138 107.214 -57.075 66.000 1.00898.52 C ATOM 44535 N1 C 03138 108.575 -56.623 66.332 1.00898.52 N ATOM 44536 C2 C 03138 108.760 -55.919 67.520 1.00898.52 C ATOM 44537 O2 C 03138 107.777 -55.675 68.225 1.00898.52 O ATOM 44538 N3 C 03138 110.002 -55.518 67.873 1.00898.52 N ATOM 44539 C4 C 03138 111.041 -55.794 67.084 1.00898.52 C ATOM 44540 N4 C 03138 112.252 -55.398 67.490 1.00898.52 N ATOM 44541 C5 C 03138 110.880 -56.490 65.850 1.00898.52 C ATOM 44542 C6 C 03138 109.642 -56.885 65.515 1.00898.52 C ATOM 44543 P U 03139 105.804 -54.000 62.637 1.00898.52 P ATOM 44544 O1P U 03139 104.650 -53.641 61.780 1.00898.52 O ATOM 44545 O2P U 03139 107.176 -53.966 62.064 1.00898.52 O ATOM 44546 O5* U 03139 105.830 -53.066 63.933 1.00898.52 O ATOM 44547 C5* U 03139 104.688 -52.953 64.806 1.00898.52 C ATOM 44548 C4* U 03139 105.045 -52.158 66.047 1.00898.52 C ATOM 44549 O4* U 03139 106.075 -52.856 66.797 1.00898.52 O ATOM 44550 C3* U 03139 105.631 -50.774 65.822 1.00898.52 C ATOM 44551 O3* U 03139 104.621 -49.805 65.548 1.00898.52 O ATOM 44552 C2* U 03139 106.358 -50.522 67.137 1.00898.52 C ATOM 44553 O2* U 03139 105.510 -50.113 68.195 1.00898.52 O ATOM 44554 C1* U 03139 106.915 -51.916 67.443 1.00898.52 C ATOM 44555 N1 U 03139 108.295 -52.089 66.963 1.00898.52 N ATOM 44556 C2 U 03139 109.315 -51.636 67.785 1.00898.52 C ATOM 44557 O2 U 03139 109.120 -51.148 68.882 1.00898.52 O ATOM 44558 N3 U 03139 110.580 -51.780 67.275 1.00898.52 N ATOM 44559 C4 U 03139 110.933 -52.320 66.063 1.00898.52 C ATOM 44560 O4 U 03139 112.117 -52.343 65.736 1.00898.52 O ATOM 44561 C5 U 03139 109.830 -52.786 65.272 1.00898.52 C ATOM 44562 C6 U 03139 108.579 -52.659 65.738 1.00898.52 C ATOM 44563 P G 03140 105.030 -48.347 64.985 1.00898.52 P ATOM 44564 O1P G 03140 103.815 -47.774 64.354 1.00898.52 O ATOM 44565 O2P G 03140 106.287 -48.420 64.203 1.00898.52 O ATOM 44566 O5* G 03140 105.336 -47.513 66.308 1.00898.52 O ATOM 44567 C5* G 03140 104.321 -47.337 67.315 1.00898.52 C ATOM 44568 C4* G 03140 104.862 -46.551 68.480 1.00898.52 C ATOM 44569 O4* G 03140 105.923 -47.303 69.123 1.00898.52 O ATOM 44570 C3* G 03140 105.519 -45.219 68.164 1.00898.52 C ATOM 44571 O3* G 03140 104.576 -44.179 67.941 1.00898.52 O ATOM 44572 C2* G 03140 106.351 -44.991 69.418 1.00898.52 C ATOM 44573 O2* G 03140 105.586 -44.588 70.537 1.00898.52 O ATOM 44574 C1* G 03140 106.873 -46.406 69.681 1.00898.52 C ATOM 44575 N9 G 03140 108.173 -46.619 69.047 1.00898.52 N ATOM 44576 C8 G 03140 108.440 -47.283 67.872 1.00898.52 C ATOM 44577 N7 G 03140 109.707 -47.268 67.550 1.00898.52 N ATOM 44578 C5 G 03140 110.318 -46.558 68.576 1.00898.52 C ATOM 44579 C6 G 03140 111.680 -46.202 68.773 1.00898.52 C ATOM 44580 O6 G 03140 112.649 -46.441 68.057 1.00898.52 O ATOM 44581 N1 G 03140 111.856 -45.483 69.948 1.00898.52 N ATOM 44582 C2 G 03140 110.856 -45.137 70.822 1.00898.52 C ATOM 44583 N2 G 03140 111.230 -44.443 71.910 1.00898.52 N ATOM 44584 N3 G 03140 109.585 -45.445 70.647 1.00898.52 N ATOM 44585 C4 G 03140 109.387 -46.155 69.511 1.00898.52 C ATOM 44586 P G 03141 104.959 -42.948 66.977 1.00898.52 P ATOM 44587 O1P G 03141 103.737 -42.108 66.874 1.00898.52 O ATOM 44588 O2P G 03141 105.597 -43.453 65.730 1.00898.52 O ATOM 44589 O5* G 03141 106.070 -42.156 67.796 1.00898.52 O ATOM 44590 C5* G 03141 105.776 -41.600 69.089 1.00898.52 C ATOM 44591 C4* G 03141 107.037 -41.111 69.755 1.00898.52 C ATOM 44592 O4* G 03141 107.919 -42.232 70.017 1.00898.52 O ATOM 44593 C3* G 03141 107.893 -40.172 68.929 1.00898.52 C ATOM 44594 O3* G 03141 107.416 -38.841 68.952 1.00898.52 O ATOM 44595 C2* G 03141 109.243 -40.311 69.607 1.00898.52 C ATOM 44596 O2* G 03141 109.332 -39.607 70.829 1.00898.52 O ATOM 44597 C1* G 03141 109.274 -41.814 69.885 1.00898.52 C ATOM 44598 N9 G 03141 109.879 -42.512 68.754 1.00898.52 N ATOM 44599 C8 G 03141 109.249 -43.289 67.808 1.00898.52 C ATOM 44600 N7 G 03141 110.058 -43.728 66.881 1.00898.52 N ATOM 44601 C5 G 03141 111.301 -43.222 67.244 1.00898.52 C ATOM 44602 C6 G 03141 112.562 -43.351 66.611 1.00898.52 C ATOM 44603 O6 G 03141 112.845 -43.958 65.576 1.00898.52 O ATOM 44604 N1 G 03141 113.555 -42.677 67.309 1.00898.52 N ATOM 44605 C2 G 03141 113.361 -41.965 68.468 1.00898.52 C ATOM 44606 N2 G 03141 114.442 -41.378 68.995 1.00898.52 N ATOM 44607 N3 G 03141 112.188 -41.831 69.064 1.00898.52 N ATOM 44608 C4 G 03141 111.212 -42.481 68.403 1.00898.52 C ATOM 44609 P C 03142 107.858 -37.835 67.445 1.00898.52 P ATOM 44610 O1P C 03142 107.126 -36.596 67.823 1.00898.52 O ATOM 44611 O2P C 03142 107.512 -38.546 66.184 1.00898.52 O ATOM 44612 O5* C 03142 109.422 -37.534 67.425 1.00898.52 O ATOM 44613 C5* C 03142 110.015 -36.652 68.393 1.00898.52 C ATOM 44614 C4* C 03142 111.469 -36.412 68.071 1.00898.52 C ATOM 44615 O4* C 03142 112.224 -37.646 68.228 1.00898.52 O ATOM 44616 C3* C 03142 111.772 -35.989 66.645 1.00898.52 C ATOM 44617 O3* C 03142 111.528 -34.617 66.389 1.00898.52 O ATOM 44618 C2* C 03142 113.233 -36.390 66.489 1.00898.52 C ATOM 44619 O2* C 03142 114.126 -35.474 67.088 1.00898.52 O ATOM 44620 C1* C 03142 113.265 -37.702 67.262 1.00898.52 C ATOM 44621 N1 C 03142 113.012 -38.845 66.363 1.00898.52 N ATOM 44622 C2 C 03142 114.100 -39.449 65.712 1.00898.52 C ATOM 44623 O2 C 03142 115.242 -39.018 65.916 1.00898.52 O ATOM 44624 N3 C 03142 113.875 -40.486 64.873 1.00898.52 N ATOM 44625 C4 C 03142 112.628 -40.917 64.666 1.00898.52 C ATOM 44626 N4 C 03142 112.449 -41.930 63.816 1.00898.52 N ATOM 44627 C5 C 03142 111.505 -40.326 65.317 1.00898.52 C ATOM 44628 C6 C 03142 111.741 -39.304 66.150 1.00898.52 C ATOM 44629 P U 03143 111.049 -34.171 64.918 1.00898.52 P ATOM 44630 O1P U 03143 110.894 -32.702 64.939 1.00898.52 O ATOM 44631 O2P U 03143 109.896 -35.023 64.523 1.00898.52 O ATOM 44632 O5* U 03143 112.290 -34.538 63.982 1.00898.52 O ATOM 44633 C5* U 03143 113.589 -33.952 64.220 1.00898.52 C ATOM 44634 C4* U 03143 114.625 -34.542 63.290 1.00898.52 C ATOM 44635 O4* U 03143 114.812 -35.952 63.573 1.00898.52 O ATOM 44636 C3* U 03143 114.313 -34.497 61.802 1.00898.52 C ATOM 44637 O3* U 03143 114.619 -33.236 61.217 1.00898.52 O ATOM 44638 C2* U 03143 115.201 -35.609 61.248 1.00898.52 C ATOM 44639 O2* U 03143 116.538 -35.211 61.019 1.00898.52 O ATOM 44640 C1* U 03143 115.149 -36.640 62.376 1.00898.52 C ATOM 44641 N1 U 03143 114.140 -37.678 62.108 1.00898.52 N ATOM 44642 C2 U 03143 114.485 -38.698 61.231 1.00898.52 C ATOM 44643 O2 U 03143 115.591 -38.794 60.729 1.00898.52 O ATOM 44644 N3 U 03143 113.487 -39.603 60.972 1.00898.52 N ATOM 44645 C4 U 03143 112.211 -39.605 61.491 1.00898.52 C ATOM 44646 O4 U 03143 111.405 -40.462 61.116 1.00898.52 O ATOM 44647 C5 U 03143 111.936 -38.536 62.406 1.00898.52 C ATOM 44648 C6 U 03143 112.884 -37.634 62.676 1.00898.52 C ATOM 44649 P A 03146 113.687 -32.643 60.041 1.00898.52 P ATOM 44650 O1P A 03146 112.907 -31.528 60.655 1.00898.52 O ATOM 44651 O2P A 03146 112.962 -33.754 59.372 1.00898.52 O ATOM 44652 O5* A 03146 114.752 -32.029 59.021 1.00898.52 O ATOM 44653 C5* A 03146 114.836 -32.462 57.640 1.00898.52 C ATOM 44654 C4* A 03146 116.261 -32.319 57.151 1.00898.52 C ATOM 44655 O4* A 03146 116.768 -31.061 57.657 1.00898.52 O ATOM 44656 C3* A 03146 117.214 -33.388 57.665 1.00898.52 C ATOM 44657 O3* A 03146 117.238 -34.539 56.792 1.00898.52 O ATOM 44658 C2* A 03146 118.537 -32.653 57.897 1.00898.52 C ATOM 44659 O2* A 03146 119.446 -32.636 56.819 1.00898.52 O ATOM 44660 C1* A 03146 118.063 -31.229 58.195 1.00898.52 C ATOM 44661 N9 A 03146 117.975 -30.857 59.602 1.00898.52 N ATOM 44662 C8 A 03146 117.385 -31.552 60.626 1.00898.52 C ATOM 44663 N7 A 03146 117.393 -30.917 61.772 1.00898.52 N ATOM 44664 C5 A 03146 118.048 -29.728 61.489 1.00898.52 C ATOM 44665 C6 A 03146 118.379 -28.612 62.288 1.00898.52 C ATOM 44666 N6 A 03146 118.083 -28.512 63.588 1.00898.52 N ATOM 44667 N1 A 03146 119.034 -27.591 61.694 1.00898.52 N ATOM 44668 C2 A 03146 119.339 -27.696 60.392 1.00898.52 C ATOM 44669 N3 A 03146 119.085 -28.689 59.543 1.00898.52 N ATOM 44670 C4 A 03146 118.429 -29.686 60.160 1.00898.52 C ATOM 44671 P C 03147 117.476 -34.366 55.193 1.00898.52 P ATOM 44672 O1P C 03147 118.888 -34.011 54.897 1.00898.52 O ATOM 44673 O2P C 03147 116.378 -33.528 54.650 1.00898.52 O ATOM 44674 O5* C 03147 117.251 -35.832 54.613 1.00898.52 O ATOM 44675 C5* C 03147 118.256 -36.850 54.783 1.00898.52 C ATOM 44676 C4* C 03147 117.610 -38.207 54.925 1.00898.52 C ATOM 44677 O4* C 03147 116.803 -38.237 56.136 1.00898.52 O ATOM 44678 C3* C 03147 116.704 -38.642 53.780 1.00898.52 C ATOM 44679 O3* C 03147 116.890 -40.036 53.557 1.00898.52 O ATOM 44680 C2* C 03147 115.299 -38.378 54.328 1.00898.52 C ATOM 44681 O2* C 03147 114.307 -39.230 53.789 1.00898.52 O ATOM 44682 C1* C 03147 115.492 -38.662 55.818 1.00898.52 C ATOM 44683 N1 C 03147 114.538 -37.993 56.731 1.00898.52 N ATOM 44684 C2 C 03147 113.618 -38.782 57.457 1.00898.52 C ATOM 44685 O2 C 03147 113.621 -40.016 57.309 1.00898.52 O ATOM 44686 N3 C 03147 112.749 -38.178 58.300 1.00898.52 N ATOM 44687 C4 C 03147 112.765 -36.851 58.437 1.00898.52 C ATOM 44688 N4 C 03147 111.887 -36.302 59.282 1.00898.52 N ATOM 44689 C5 C 03147 113.686 -36.028 57.715 1.00898.52 C ATOM 44690 C6 C 03147 114.542 -36.633 56.880 1.00898.52 C ATOM 44691 P G 03148 117.927 -40.540 52.432 1.00898.52 P ATOM 44692 O1P G 03148 117.963 -39.551 51.319 1.00898.52 O ATOM 44693 O2P G 03148 117.603 -41.965 52.139 1.00898.52 O ATOM 44694 O5* G 03148 119.345 -40.523 53.159 1.00898.52 O ATOM 44695 C5* G 03148 119.629 -41.421 54.249 1.00898.52 C ATOM 44696 C4* G 03148 121.016 -41.164 54.779 1.00898.52 C ATOM 44697 O4* G 03148 121.184 -39.742 54.968 1.00898.52 O ATOM 44698 C3* G 03148 121.330 -41.782 56.131 1.00898.52 C ATOM 44699 O3* G 03148 121.853 -43.098 55.967 1.00898.52 O ATOM 44700 C2* G 03148 122.399 -40.856 56.704 1.00898.52 C ATOM 44701 O2* G 03148 123.700 -41.231 56.296 1.00898.52 O ATOM 44702 C1* G 03148 122.038 -39.512 56.066 1.00898.52 C ATOM 44703 N9 G 03148 121.433 -38.489 56.918 1.00898.52 N ATOM 44704 C8 G 03148 121.947 -37.238 57.160 1.00898.52 C ATOM 44705 N7 G 03148 121.182 -36.506 57.919 1.00898.52 N ATOM 44706 C5 G 03148 120.100 -37.322 58.209 1.00898.52 C ATOM 44707 C6 G 03148 118.942 -37.067 58.986 1.00898.52 C ATOM 44708 O6 G 03148 118.630 -36.031 59.590 1.00898.52 O ATOM 44709 N1 G 03148 118.100 -38.168 59.023 1.00898.52 N ATOM 44710 C2 G 03148 118.335 -39.362 58.389 1.00898.52 C ATOM 44711 N2 G 03148 117.393 -40.304 58.550 1.00898.52 N ATOM 44712 N3 G 03148 119.409 -39.613 57.655 1.00898.52 N ATOM 44713 C4 G 03148 120.243 -38.556 57.607 1.00898.52 C ATOM 44714 P G 03149 121.333 -44.291 56.912 1.00898.52 P ATOM 44715 O1P G 03149 122.226 -45.463 56.715 1.00898.52 O ATOM 44716 O2P G 03149 119.868 -44.428 56.688 1.00898.52 O ATOM 44717 O5* G 03149 121.549 -43.761 58.400 1.00898.52 O ATOM 44718 C5* G 03149 122.788 -43.166 58.790 1.00898.52 C ATOM 44719 C4* G 03149 122.612 -42.373 60.057 1.00898.52 C ATOM 44720 O4* G 03149 121.502 -41.441 59.911 1.00898.52 O ATOM 44721 C3* G 03149 122.244 -43.164 61.298 1.00898.52 C ATOM 44722 O3* G 03149 123.359 -43.786 61.910 1.00898.52 O ATOM 44723 C2* G 03149 121.627 -42.092 62.189 1.00898.52 C ATOM 44724 O2* G 03149 122.615 -41.307 62.827 1.00898.52 O ATOM 44725 C1* G 03149 120.872 -41.248 61.169 1.00898.52 C ATOM 44726 N9 G 03149 119.481 -41.693 61.096 1.00898.52 N ATOM 44727 C8 G 03149 118.953 -42.693 60.308 1.00898.52 C ATOM 44728 N7 G 03149 117.682 -42.910 60.533 1.00898.52 N ATOM 44729 C5 G 03149 117.345 -41.985 61.514 1.00898.52 C ATOM 44730 C6 G 03149 116.100 -41.747 62.182 1.00898.52 C ATOM 44731 O6 G 03149 115.018 -42.328 62.037 1.00898.52 O ATOM 44732 N1 G 03149 116.203 -40.710 63.101 1.00898.52 N ATOM 44733 C2 G 03149 117.346 -39.994 63.356 1.00898.52 C ATOM 44734 N2 G 03149 117.238 -39.022 64.276 1.00898.52 N ATOM 44735 N3 G 03149 118.507 -40.209 62.759 1.00898.52 N ATOM 44736 C4 G 03149 118.437 -41.212 61.857 1.00898.52 C ATOM 44737 P C 03150 122.983 -43.999 63.847 1.00898.52 P ATOM 44738 O1P C 03150 124.298 -44.317 64.452 1.00898.52 O ATOM 44739 O2P C 03150 122.105 -45.102 63.362 1.00898.52 O ATOM 44740 O5* C 03150 122.176 -43.156 64.919 1.00898.52 O ATOM 44741 C5* C 03150 122.735 -41.957 65.469 1.00898.52 C ATOM 44742 C4* C 03150 121.787 -41.356 66.471 1.00898.52 C ATOM 44743 O4* C 03150 120.580 -40.900 65.812 1.00898.52 O ATOM 44744 C3* C 03150 121.279 -42.309 67.531 1.00898.52 C ATOM 44745 O3* C 03150 122.229 -42.462 68.560 1.00898.52 O ATOM 44746 C2* C 03150 120.027 -41.600 68.017 1.00898.52 C ATOM 44747 O2* C 03150 120.329 -40.519 68.876 1.00898.52 O ATOM 44748 C1* C 03150 119.482 -41.035 66.705 1.00898.52 C ATOM 44749 N1 C 03150 118.457 -41.884 66.074 1.00898.52 N ATOM 44750 C2 C 03150 117.166 -41.875 66.607 1.00898.52 C ATOM 44751 O2 C 03150 116.933 -41.190 67.612 1.00898.52 O ATOM 44752 N3 C 03150 116.205 -42.620 66.016 1.00898.52 N ATOM 44753 C4 C 03150 116.496 -43.352 64.942 1.00898.52 C ATOM 44754 N4 C 03150 115.514 -44.057 64.383 1.00898.52 N ATOM 44755 C5 C 03150 117.806 -43.391 64.390 1.00898.52 C ATOM 44756 C6 C 03150 118.749 -42.652 64.983 1.00898.52 C ATOM 44757 P U 03151 122.246 -43.807 69.417 1.00898.52 P ATOM 44758 O1P U 03151 123.360 -43.695 70.396 1.00898.52 O ATOM 44759 O2P U 03151 122.193 -44.961 68.478 1.00898.52 O ATOM 44760 O5* U 03151 120.866 -43.781 70.201 1.00898.52 O ATOM 44761 C5* U 03151 120.577 -42.733 71.139 1.00898.52 C ATOM 44762 C4* U 03151 119.173 -42.870 71.657 1.00898.52 C ATOM 44763 O4* U 03151 118.219 -42.615 70.592 1.00898.52 O ATOM 44764 C3* U 03151 118.797 -44.260 72.131 1.00898.52 C ATOM 44765 O3* U 03151 119.308 -44.553 73.415 1.00898.52 O ATOM 44766 C2* U 03151 117.278 -44.206 72.089 1.00898.52 C ATOM 44767 O2* U 03151 116.717 -43.491 73.162 1.00898.52 O ATOM 44768 C1* U 03151 117.054 -43.403 70.811 1.00898.52 C ATOM 44769 N1 U 03151 116.812 -44.262 69.645 1.00898.52 N ATOM 44770 C2 U 03151 115.549 -44.818 69.525 1.00898.52 C ATOM 44771 O2 U 03151 114.673 -44.659 70.353 1.00898.52 O ATOM 44772 N3 U 03151 115.353 -45.579 68.403 1.00898.52 N ATOM 44773 C4 U 03151 116.265 -45.851 67.414 1.00898.52 C ATOM 44774 O4 U 03151 115.923 -46.548 66.459 1.00898.52 O ATOM 44775 C5 U 03151 117.559 -45.263 67.613 1.00898.52 C ATOM 44776 C6 U 03151 117.782 -44.507 68.694 1.00898.52 C ATOM 44777 P G 03152 119.047 -45.998 74.047 1.00898.52 P ATOM 44778 O1P G 03152 119.852 -46.126 75.281 1.00898.52 O ATOM 44779 O2P G 03152 119.178 -47.021 72.972 1.00898.52 O ATOM 44780 O5* G 03152 117.512 -45.921 74.444 1.00898.52 O ATOM 44781 C5* G 03152 116.765 -47.105 74.692 1.00898.52 C ATOM 44782 C4* G 03152 115.300 -46.785 74.797 1.00898.52 C ATOM 44783 O4* G 03152 114.805 -46.236 73.550 1.00898.52 O ATOM 44784 C3* G 03152 114.461 -48.020 75.009 1.00898.52 C ATOM 44785 O3* G 03152 114.462 -48.367 76.371 1.00898.52 O ATOM 44786 C2* G 03152 113.103 -47.590 74.494 1.00898.52 C ATOM 44787 O2* G 03152 112.409 -46.781 75.418 1.00898.52 O ATOM 44788 C1* G 03152 113.517 -46.764 73.276 1.00898.52 C ATOM 44789 N9 G 03152 113.610 -47.582 72.070 1.00898.52 N ATOM 44790 C8 G 03152 114.736 -47.839 71.323 1.00898.52 C ATOM 44791 N7 G 03152 114.502 -48.600 70.290 1.00898.52 N ATOM 44792 C5 G 03152 113.141 -48.866 70.360 1.00898.52 C ATOM 44793 C6 G 03152 112.310 -49.633 69.505 1.00898.52 C ATOM 44794 O6 G 03152 112.619 -50.248 68.481 1.00898.52 O ATOM 44795 N1 G 03152 110.987 -49.637 69.943 1.00898.52 N ATOM 44796 C2 G 03152 110.524 -48.980 71.056 1.00898.52 C ATOM 44797 N2 G 03152 109.216 -49.087 71.308 1.00898.52 N ATOM 44798 N3 G 03152 111.288 -48.267 71.862 1.00898.52 N ATOM 44799 C4 G 03152 112.577 -48.250 71.456 1.00898.52 C ATOM 44800 P G 03153 114.515 -49.902 76.782 1.00898.52 P ATOM 44801 O1P G 03153 114.702 -49.950 78.250 1.00898.52 O ATOM 44802 O2P G 03153 115.505 -50.561 75.890 1.00898.52 O ATOM 44803 O5* G 03153 113.055 -50.417 76.416 1.00898.52 O ATOM 44804 C5* G 03153 111.907 -49.955 77.158 1.00898.52 C ATOM 44805 C4* G 03153 110.640 -50.569 76.613 1.00898.52 C ATOM 44806 O4* G 03153 110.368 -50.052 75.279 1.00898.52 O ATOM 44807 C3* G 03153 110.650 -52.072 76.393 1.00898.52 C ATOM 44808 O3* G 03153 110.476 -52.824 77.571 1.00898.52 O ATOM 44809 C2* G 03153 109.484 -52.244 75.440 1.00898.52 C ATOM 44810 O2* G 03153 108.244 -52.131 76.107 1.00898.52 O ATOM 44811 C1* G 03153 109.715 -51.055 74.506 1.00898.52 C ATOM 44812 N9 G 03153 110.610 -51.469 73.425 1.00898.52 N ATOM 44813 C8 G 03153 111.965 -51.245 73.327 1.00898.52 C ATOM 44814 N7 G 03153 112.502 -51.811 72.277 1.00898.52 N ATOM 44815 C5 G 03153 111.433 -52.428 71.639 1.00898.52 C ATOM 44816 C6 G 03153 111.401 -53.214 70.455 1.00898.52 C ATOM 44817 O6 G 03153 112.343 -53.541 69.718 1.00898.52 O ATOM 44818 N1 G 03153 110.110 -53.637 70.162 1.00898.52 N ATOM 44819 C2 G 03153 108.993 -53.357 70.913 1.00898.52 C ATOM 44820 N2 G 03153 107.832 -53.851 70.463 1.00898.52 N ATOM 44821 N3 G 03153 109.015 -52.642 72.022 1.00898.52 N ATOM 44822 C4 G 03153 110.257 -52.211 72.324 1.00898.52 C ATOM 44823 P G 03154 111.095 -54.299 77.660 1.00898.52 P ATOM 44824 O1P G 03154 110.964 -54.751 79.068 1.00898.52 O ATOM 44825 O2P G 03154 112.433 -54.274 77.017 1.00898.52 O ATOM 44826 O5* G 03154 110.123 -55.188 76.762 1.00898.52 O ATOM 44827 C5* G 03154 108.727 -55.278 77.077 1.00898.52 C ATOM 44828 C4* G 03154 107.962 -55.881 75.926 1.00898.52 C ATOM 44829 O4* G 03154 108.215 -55.112 74.719 1.00898.52 O ATOM 44830 C3* G 03154 108.353 -57.290 75.527 1.00898.52 C ATOM 44831 O3* G 03154 107.796 -58.272 76.388 1.00898.52 O ATOM 44832 C2* G 03154 107.809 -57.359 74.112 1.00898.52 C ATOM 44833 O2* G 03154 106.404 -57.471 74.076 1.00898.52 O ATOM 44834 C1* G 03154 108.207 -55.978 73.593 1.00898.52 C ATOM 44835 N9 G 03154 109.558 -56.033 73.046 1.00898.52 N ATOM 44836 C8 G 03154 110.699 -55.504 73.597 1.00898.52 C ATOM 44837 N7 G 03154 111.773 -55.765 72.898 1.00898.52 N ATOM 44838 C5 G 03154 111.306 -56.499 71.816 1.00898.52 C ATOM 44839 C6 G 03154 112.007 -57.066 70.726 1.00898.52 C ATOM 44840 O6 G 03154 113.215 -57.022 70.483 1.00898.52 O ATOM 44841 N1 G 03154 111.149 -57.740 69.866 1.00898.52 N ATOM 44842 C2 G 03154 109.793 -57.850 70.030 1.00898.52 C ATOM 44843 N2 G 03154 109.140 -58.546 69.107 1.00898.52 N ATOM 44844 N3 G 03154 109.128 -57.317 71.033 1.00898.52 N ATOM 44845 C4 G 03154 109.942 -56.663 71.886 1.00898.52 C ATOM 44846 P G 03155 108.691 -59.528 76.833 1.00898.52 P ATOM 44847 O1P G 03155 108.039 -60.198 77.986 1.00898.52 O ATOM 44848 O2P G 03155 110.099 -59.075 76.956 1.00898.52 O ATOM 44849 O5* G 03155 108.586 -60.505 75.584 1.00898.52 O ATOM 44850 C5* G 03155 107.307 -60.910 75.086 1.00898.52 C ATOM 44851 C4* G 03155 107.444 -61.534 73.716 1.00898.52 C ATOM 44852 O4* G 03155 107.936 -60.562 72.751 1.00898.52 O ATOM 44853 C3* G 03155 108.425 -62.688 73.589 1.00898.52 C ATOM 44854 O3* G 03155 107.866 -63.896 74.052 1.00898.52 O ATOM 44855 C2* G 03155 108.636 -62.729 72.092 1.00898.52 C ATOM 44856 O2* G 03155 107.529 -63.319 71.441 1.00898.52 O ATOM 44857 C1* G 03155 108.714 -61.235 71.767 1.00898.52 C ATOM 44858 N9 G 03155 110.093 -60.762 71.849 1.00898.52 N ATOM 44859 C8 G 03155 110.659 -59.954 72.812 1.00898.52 C ATOM 44860 N7 G 03155 111.936 -59.756 72.633 1.00898.52 N ATOM 44861 C5 G 03155 112.235 -60.464 71.475 1.00898.52 C ATOM 44862 C6 G 03155 113.468 -60.627 70.780 1.00898.52 C ATOM 44863 O6 G 03155 114.584 -60.146 71.050 1.00898.52 O ATOM 44864 N1 G 03155 113.316 -61.438 69.663 1.00898.52 N ATOM 44865 C2 G 03155 112.137 -62.011 69.252 1.00898.52 C ATOM 44866 N2 G 03155 112.196 -62.770 68.149 1.00898.52 N ATOM 44867 N3 G 03155 110.986 -61.856 69.875 1.00898.52 N ATOM 44868 C4 G 03155 111.107 -61.081 70.974 1.00898.52 C ATOM 44869 P G 03156 108.751 -65.159 74.323 1.00898.52 P ATOM 44870 O1P G 03156 107.905 -66.384 74.316 1.00898.52 O ATOM 44871 O2P G 03156 109.412 -64.722 75.580 1.00898.52 O ATOM 44872 O5* G 03156 109.903 -65.315 73.226 1.00898.52 O ATOM 44873 C5* G 03156 109.660 -65.917 71.938 1.00898.52 C ATOM 44874 C4* G 03156 110.968 -66.083 71.197 1.00898.52 C ATOM 44875 O4* G 03156 111.558 -64.776 70.965 1.00898.52 O ATOM 44876 C3* G 03156 112.035 -66.844 71.966 1.00898.52 C ATOM 44877 O3* G 03156 111.870 -68.243 71.783 1.00898.52 O ATOM 44878 C2* G 03156 113.331 -66.307 71.368 1.00898.52 C ATOM 44879 O2* G 03156 113.655 -66.910 70.132 1.00898.52 O ATOM 44880 C1* G 03156 112.967 -64.842 71.124 1.00898.52 C ATOM 44881 N9 G 03156 113.346 -63.921 72.198 1.00898.52 N ATOM 44882 C8 G 03156 112.585 -63.572 73.286 1.00898.52 C ATOM 44883 N7 G 03156 113.170 -62.711 74.068 1.00898.52 N ATOM 44884 C5 G 03156 114.399 -62.480 73.468 1.00898.52 C ATOM 44885 C6 G 03156 115.469 -61.624 73.860 1.00898.52 C ATOM 44886 O6 G 03156 115.547 -60.885 74.852 1.00898.52 O ATOM 44887 N1 G 03156 116.528 -61.685 72.959 1.00898.52 N ATOM 44888 C2 G 03156 116.557 -62.465 71.830 1.00898.52 C ATOM 44889 N2 G 03156 117.667 -62.375 71.087 1.00898.52 N ATOM 44890 N3 G 03156 115.570 -63.265 71.456 1.00898.52 N ATOM 44891 C4 G 03156 114.529 -63.223 72.315 1.00898.52 C ATOM 44892 P G 03157 112.214 -69.252 72.982 1.00898.52 P ATOM 44893 O1P G 03157 111.647 -70.581 72.618 1.00898.52 O ATOM 44894 O2P G 03157 111.811 -68.603 74.259 1.00898.52 O ATOM 44895 O5* G 03157 113.800 -69.370 72.945 1.00898.52 O ATOM 44896 C5* G 03157 114.473 -69.831 71.765 1.00898.52 C ATOM 44897 C4* G 03157 115.905 -69.374 71.778 1.00898.52 C ATOM 44898 O4* G 03157 115.936 -67.928 71.847 1.00898.52 O ATOM 44899 C3* G 03157 116.712 -69.829 72.980 1.00898.52 C ATOM 44900 O3* G 03157 117.182 -71.156 72.757 1.00898.52 O ATOM 44901 C2* G 03157 117.802 -68.763 73.072 1.00898.52 C ATOM 44902 O2* G 03157 118.867 -68.928 72.163 1.00898.52 O ATOM 44903 C1* G 03157 117.025 -67.512 72.657 1.00898.52 C ATOM 44904 N9 G 03157 116.506 -66.702 73.757 1.00898.52 N ATOM 44905 C8 G 03157 115.362 -66.923 74.490 1.00898.52 C ATOM 44906 N7 G 03157 115.130 -65.986 75.370 1.00898.52 N ATOM 44907 C5 G 03157 116.189 -65.100 75.216 1.00898.52 C ATOM 44908 C6 G 03157 116.475 -63.882 75.889 1.00898.52 C ATOM 44909 O6 G 03157 115.821 -63.316 76.778 1.00898.52 O ATOM 44910 N1 G 03157 117.650 -63.305 75.423 1.00898.52 N ATOM 44911 C2 G 03157 118.450 -63.828 74.437 1.00898.52 C ATOM 44912 N2 G 03157 119.541 -63.114 74.112 1.00898.52 N ATOM 44913 N3 G 03157 118.198 -64.964 73.808 1.00898.52 N ATOM 44914 C4 G 03157 117.058 -65.539 74.240 1.00898.52 C ATOM 44915 P A 03158 118.099 -71.895 73.848 1.00898.52 P ATOM 44916 O1P A 03158 117.796 -73.347 73.792 1.00898.52 O ATOM 44917 O2P A 03158 117.970 -71.173 75.144 1.00898.52 O ATOM 44918 O5* A 03158 119.576 -71.673 73.296 1.00898.52 O ATOM 44919 C5* A 03158 119.907 -72.001 71.931 1.00898.52 C ATOM 44920 C4* A 03158 121.332 -71.601 71.620 1.00898.52 C ATOM 44921 O4* A 03158 121.475 -70.157 71.742 1.00898.52 O ATOM 44922 C3* A 03158 122.403 -72.203 72.523 1.00898.52 C ATOM 44923 O3* A 03158 123.604 -72.327 71.776 1.00898.52 O ATOM 44924 C2* A 03158 122.610 -71.102 73.550 1.00898.52 C ATOM 44925 O2* A 03158 123.872 -71.155 74.190 1.00898.52 O ATOM 44926 C1* A 03158 122.510 -69.870 72.659 1.00898.52 C ATOM 44927 N9 A 03158 122.196 -68.621 73.347 1.00898.52 N ATOM 44928 C8 A 03158 121.280 -68.388 74.342 1.00898.52 C ATOM 44929 N7 A 03158 121.249 -67.142 74.744 1.00898.52 N ATOM 44930 C5 A 03158 122.211 -66.512 73.966 1.00898.52 C ATOM 44931 C6 A 03158 122.676 -65.186 73.921 1.00898.52 C ATOM 44932 N6 A 03158 122.240 -64.220 74.731 1.00898.52 N ATOM 44933 N1 A 03158 123.630 -64.887 73.016 1.00898.52 N ATOM 44934 C2 A 03158 124.105 -65.865 72.233 1.00898.52 C ATOM 44935 N3 A 03158 123.766 -67.151 72.198 1.00898.52 N ATOM 44936 C4 A 03158 122.798 -67.412 73.098 1.00898.52 C ATOM 44937 P G 03159 123.794 -73.562 70.780 1.00898.52 P ATOM 44938 O1P G 03159 123.033 -74.720 71.323 1.00898.52 O ATOM 44939 O2P G 03159 125.249 -73.700 70.511 1.00898.52 O ATOM 44940 O5* G 03159 123.045 -73.081 69.460 1.00898.52 O ATOM 44941 C5* G 03159 123.729 -72.323 68.445 1.00898.52 C ATOM 44942 C4* G 03159 123.152 -70.929 68.361 1.00898.52 C ATOM 44943 O4* G 03159 123.451 -70.204 69.592 1.00898.52 O ATOM 44944 C3* G 03159 123.710 -70.052 67.246 1.00898.52 C ATOM 44945 O3* G 03159 123.035 -70.269 66.006 1.00898.52 O ATOM 44946 C2* G 03159 123.505 -68.658 67.815 1.00898.52 C ATOM 44947 O2* G 03159 122.155 -68.241 67.723 1.00898.52 O ATOM 44948 C1* G 03159 123.897 -68.895 69.277 1.00898.52 C ATOM 44949 N9 G 03159 125.352 -68.866 69.429 1.00898.52 N ATOM 44950 C8 G 03159 126.186 -69.932 69.680 1.00898.52 C ATOM 44951 N7 G 03159 127.451 -69.601 69.680 1.00898.52 N ATOM 44952 C5 G 03159 127.453 -68.235 69.436 1.00898.52 C ATOM 44953 C6 G 03159 128.537 -67.326 69.306 1.00898.52 C ATOM 44954 O6 G 03159 129.753 -67.558 69.369 1.00898.52 O ATOM 44955 N1 G 03159 128.087 -66.025 69.075 1.00898.52 N ATOM 44956 C2 G 03159 126.771 -65.651 68.976 1.00898.52 C ATOM 44957 N2 G 03159 126.536 -64.345 68.779 1.00898.52 N ATOM 44958 N3 G 03159 125.753 -66.494 69.072 1.00898.52 N ATOM 44959 C4 G 03159 126.164 -67.761 69.303 1.00898.52 C ATOM 44960 P C 03160 123.872 -70.277 64.628 1.00898.52 P ATOM 44961 O1P C 03160 123.023 -70.950 63.608 1.00898.52 O ATOM 44962 O2P C 03160 125.247 -70.798 64.902 1.00898.52 O ATOM 44963 O5* C 03160 124.005 -68.734 64.240 1.00898.52 O ATOM 44964 C5* C 03160 122.908 -67.815 64.412 1.00898.52 C ATOM 44965 C4* C 03160 123.426 -66.390 64.493 1.00898.52 C ATOM 44966 O4* C 03160 124.277 -66.237 65.665 1.00898.52 O ATOM 44967 C3* C 03160 124.307 -65.941 63.334 1.00898.52 C ATOM 44968 O3* C 03160 123.530 -65.515 62.213 1.00898.52 O ATOM 44969 C2* C 03160 125.100 -64.795 63.954 1.00898.52 C ATOM 44970 O2* C 03160 124.373 -63.582 64.005 1.00898.52 O ATOM 44971 C1* C 03160 125.321 -65.318 65.377 1.00898.52 C ATOM 44972 N1 C 03160 126.626 -65.994 65.564 1.00898.52 N ATOM 44973 C2 C 03160 127.795 -65.210 65.600 1.00898.52 C ATOM 44974 O2 C 03160 127.702 -63.980 65.461 1.00898.52 O ATOM 44975 N3 C 03160 128.993 -65.816 65.783 1.00898.52 N ATOM 44976 C4 C 03160 129.054 -67.143 65.932 1.00898.52 C ATOM 44977 N4 C 03160 130.254 -67.696 66.119 1.00898.52 N ATOM 44978 C5 C 03160 127.887 -67.962 65.897 1.00898.52 C ATOM 44979 C6 C 03160 126.706 -67.355 65.710 1.00898.52 C ATOM 44980 P C 03161 124.166 -65.540 60.733 1.00898.52 P ATOM 44981 O1P C 03161 123.094 -65.066 59.831 1.00898.52 O ATOM 44982 O2P C 03161 124.822 -66.855 60.482 1.00898.52 O ATOM 44983 O5* C 03161 125.313 -64.433 60.772 1.00898.52 O ATOM 44984 C5* C 03161 124.982 -63.036 60.854 1.00898.52 C ATOM 44985 C4* C 03161 126.234 -62.205 60.749 1.00898.52 C ATOM 44986 O4* C 03161 127.094 -62.476 61.887 1.00898.52 O ATOM 44987 C3* C 03161 127.132 -62.501 59.557 1.00898.52 C ATOM 44988 O3* C 03161 126.651 -61.870 58.377 1.00898.52 O ATOM 44989 C2* C 03161 128.463 -61.917 60.024 1.00898.52 C ATOM 44990 O2* C 03161 128.509 -60.509 59.905 1.00898.52 O ATOM 44991 C1* C 03161 128.449 -62.266 61.514 1.00898.52 C ATOM 44992 N1 C 03161 129.254 -63.457 61.869 1.00898.52 N ATOM 44993 C2 C 03161 130.626 -63.290 62.104 1.00898.52 C ATOM 44994 O2 C 03161 131.126 -62.159 61.981 1.00898.52 O ATOM 44995 N3 C 03161 131.374 -64.358 62.453 1.00898.52 N ATOM 44996 C4 C 03161 130.807 -65.564 62.562 1.00898.52 C ATOM 44997 N4 C 03161 131.592 -66.593 62.920 1.00898.52 N ATOM 44998 C5 C 03161 129.418 -65.769 62.315 1.00898.52 C ATOM 44999 C6 C 03161 128.686 -64.699 61.973 1.00898.52 C ATOM 45000 P G 03162 130.636 -60.358 56.767 1.00936.33 P ATOM 45001 O1P G 03162 130.266 -59.212 55.901 1.00936.33 O ATOM 45002 O2P G 03162 130.177 -61.728 56.412 1.00936.33 O ATOM 45003 O5* G 03162 132.218 -60.432 56.858 1.00936.33 O ATOM 45004 C5* G 03162 132.948 -59.359 57.395 1.00936.33 C ATOM 45005 C4* G 03162 134.369 -59.774 57.639 1.00936.33 C ATOM 45006 O4* G 03162 134.410 -60.779 58.685 1.00936.33 O ATOM 45007 C3* G 03162 135.108 -60.450 56.499 1.00936.33 C ATOM 45008 O3* G 03162 135.567 -59.505 55.549 1.00936.33 O ATOM 45009 C2* G 03162 136.272 -61.062 57.258 1.00936.33 C ATOM 45010 O2* G 03162 137.195 -60.079 57.671 1.00936.33 O ATOM 45011 C1* G 03162 135.558 -61.593 58.499 1.00936.33 C ATOM 45012 N9 G 03162 135.134 -62.971 58.276 1.00936.33 N ATOM 45013 C8 G 03162 133.869 -63.444 58.012 1.00936.33 C ATOM 45014 N7 G 03162 133.848 -64.727 57.775 1.00936.33 N ATOM 45015 C5 G 03162 135.175 -65.120 57.905 1.00936.33 C ATOM 45016 C6 G 03162 135.781 -66.391 57.746 1.00936.33 C ATOM 45017 O6 G 03162 135.257 -67.455 57.425 1.00936.33 O ATOM 45018 N1 G 03162 137.150 -66.341 57.986 1.00936.33 N ATOM 45019 C2 G 03162 137.852 -65.207 58.327 1.00936.33 C ATOM 45020 N2 G 03162 139.173 -65.357 58.518 1.00936.33 N ATOM 45021 N3 G 03162 137.298 -64.020 58.470 1.00936.33 N ATOM 45022 C4 G 03162 135.971 -64.050 58.242 1.00936.33 C ATOM 45023 P C 03163 135.872 -59.973 54.042 1.00936.33 P ATOM 45024 O1P C 03163 136.140 -58.757 53.244 1.00936.33 O ATOM 45025 O2P C 03163 134.798 -60.903 53.619 1.00936.33 O ATOM 45026 O5* C 03163 137.219 -60.818 54.138 1.00936.33 O ATOM 45027 C5* C 03163 138.385 -60.276 54.733 1.00936.33 C ATOM 45028 C4* C 03163 139.417 -61.357 54.909 1.00936.33 C ATOM 45029 O4* C 03163 138.900 -62.372 55.808 1.00936.33 O ATOM 45030 C3* C 03163 139.774 -62.116 53.646 1.00936.33 C ATOM 45031 O3* C 03163 140.798 -61.429 52.939 1.00936.33 O ATOM 45032 C2* C 03163 140.293 -63.431 54.209 1.00936.33 C ATOM 45033 O2* C 03163 141.607 -63.306 54.702 1.00936.33 O ATOM 45034 C1* C 03163 139.347 -63.649 55.391 1.00936.33 C ATOM 45035 N1 C 03163 138.172 -64.472 55.054 1.00936.33 N ATOM 45036 C2 C 03163 138.359 -65.835 54.783 1.00936.33 C ATOM 45037 O2 C 03163 139.506 -66.309 54.855 1.00936.33 O ATOM 45038 N3 C 03163 137.287 -66.597 54.451 1.00936.33 N ATOM 45039 C4 C 03163 136.071 -66.042 54.392 1.00936.33 C ATOM 45040 N4 C 03163 135.040 -66.820 54.046 1.00936.33 N ATOM 45041 C5 C 03163 135.856 -64.661 54.681 1.00936.33 C ATOM 45042 C6 C 03163 136.923 -63.924 55.001 1.00936.33 C ATOM 45043 P C 03164 140.712 -61.298 51.341 1.00936.33 P ATOM 45044 O1P C 03164 142.062 -60.921 50.833 1.00936.33 O ATOM 45045 O2P C 03164 139.543 -60.436 51.023 1.00936.33 O ATOM 45046 O5* C 03164 140.389 -62.778 50.847 1.00936.33 O ATOM 45047 C5* C 03164 141.399 -63.784 50.857 1.00936.33 C ATOM 45048 C4* C 03164 140.813 -65.114 50.450 1.00936.33 C ATOM 45049 O4* C 03164 139.838 -65.542 51.442 1.00936.33 O ATOM 45050 C3* C 03164 140.047 -65.111 49.137 1.00936.33 C ATOM 45051 O3* C 03164 140.939 -65.314 48.048 1.00936.33 O ATOM 45052 C2* C 03164 139.129 -66.312 49.318 1.00936.33 C ATOM 45053 O2* C 03164 139.834 -67.514 49.119 1.00936.33 O ATOM 45054 C1* C 03164 138.760 -66.195 50.798 1.00936.33 C ATOM 45055 N1 C 03164 137.542 -65.396 51.013 1.00936.33 N ATOM 45056 C2 C 03164 136.324 -65.927 50.611 1.00936.33 C ATOM 45057 O2 C 03164 136.304 -67.064 50.120 1.00936.33 O ATOM 45058 N3 C 03164 135.196 -65.200 50.765 1.00936.33 N ATOM 45059 C4 C 03164 135.259 -63.981 51.300 1.00936.33 C ATOM 45060 N4 C 03164 134.119 -63.285 51.409 1.00936.33 N ATOM 45061 C5 C 03164 136.494 -63.414 51.739 1.00936.33 C ATOM 45062 C6 C 03164 137.599 -64.152 51.580 1.00936.33 C ATOM 45063 P G 03165 140.965 -64.266 46.825 1.00936.33 P ATOM 45064 O1P G 03165 142.087 -64.645 45.928 1.00936.33 O ATOM 45065 O2P G 03165 140.922 -62.899 47.405 1.00936.33 O ATOM 45066 O5* G 03165 139.596 -64.515 46.046 1.00936.33 O ATOM 45067 C5* G 03165 139.323 -65.769 45.425 1.00936.33 C ATOM 45068 C4* G 03165 137.834 -65.948 45.220 1.00936.33 C ATOM 45069 O4* G 03165 137.152 -65.960 46.507 1.00936.33 O ATOM 45070 C3* G 03165 137.132 -64.834 44.471 1.00936.33 C ATOM 45071 O3* G 03165 137.310 -64.947 43.070 1.00936.33 O ATOM 45072 C2* G 03165 135.689 -65.039 44.887 1.00936.33 C ATOM 45073 O2* G 03165 135.081 -66.119 44.210 1.00936.33 O ATOM 45074 C1* G 03165 135.869 -65.368 46.367 1.00936.33 C ATOM 45075 N9 G 03165 135.840 -64.145 47.158 1.00936.33 N ATOM 45076 C8 G 03165 136.904 -63.483 47.724 1.00936.33 C ATOM 45077 N7 G 03165 136.552 -62.386 48.344 1.00936.33 N ATOM 45078 C5 G 03165 135.175 -62.332 48.182 1.00936.33 C ATOM 45079 C6 G 03165 134.234 -61.376 48.639 1.00936.33 C ATOM 45080 O6 G 03165 134.439 -60.347 49.309 1.00936.33 O ATOM 45081 N1 G 03165 132.939 -61.709 48.248 1.00936.33 N ATOM 45082 C2 G 03165 132.596 -62.823 47.517 1.00936.33 C ATOM 45083 N2 G 03165 131.292 -62.981 47.233 1.00936.33 N ATOM 45084 N3 G 03165 133.465 -63.719 47.092 1.00936.33 N ATOM 45085 C4 G 03165 134.723 -63.413 47.457 1.00936.33 C ATOM 45086 P G 03166 137.955 -63.719 42.269 1.00936.33 P ATOM 45087 O1P G 03166 138.205 -64.163 40.870 1.00936.33 O ATOM 45088 O2P G 03166 139.085 -63.229 43.091 1.00936.33 O ATOM 45089 O5* G 03166 136.803 -62.617 42.297 1.00936.33 O ATOM 45090 C5* G 03166 135.502 -62.945 41.838 1.00936.33 C ATOM 45091 C4* G 03166 134.494 -61.917 42.284 1.00936.33 C ATOM 45092 O4* G 03166 134.408 -61.898 43.730 1.00936.33 O ATOM 45093 C3* G 03166 134.762 -60.468 41.924 1.00936.33 C ATOM 45094 O3* G 03166 134.365 -60.231 40.583 1.00936.33 O ATOM 45095 C2* G 03166 133.834 -59.754 42.898 1.00936.33 C ATOM 45096 O2* G 03166 132.491 -59.822 42.465 1.00936.33 O ATOM 45097 C1* G 03166 134.002 -60.609 44.158 1.00936.33 C ATOM 45098 N9 G 03166 135.019 -60.100 45.075 1.00936.33 N ATOM 45099 C8 G 03166 136.346 -60.450 45.108 1.00936.33 C ATOM 45100 N7 G 03166 137.014 -59.842 46.048 1.00936.33 N ATOM 45101 C5 G 03166 136.071 -59.042 46.674 1.00936.33 C ATOM 45102 C6 G 03166 136.208 -58.159 47.768 1.00936.33 C ATOM 45103 O6 G 03166 137.220 -57.909 48.437 1.00936.33 O ATOM 45104 N1 G 03166 135.003 -57.537 48.076 1.00936.33 N ATOM 45105 C2 G 03166 133.816 -57.755 47.420 1.00936.33 C ATOM 45106 N2 G 03166 132.758 -57.069 47.875 1.00936.33 N ATOM 45107 N3 G 03166 133.674 -58.584 46.402 1.00936.33 N ATOM 45108 C4 G 03166 134.836 -59.188 46.083 1.00936.33 C ATOM 45109 P U 03167 134.991 -58.996 39.763 1.00936.33 P ATOM 45110 O1P U 03167 134.487 -59.143 38.368 1.00936.33 O ATOM 45111 O2P U 03167 136.448 -58.891 40.008 1.00936.33 O ATOM 45112 O5* U 03167 134.298 -57.720 40.408 1.00936.33 O ATOM 45113 C5* U 03167 132.959 -57.386 40.083 1.00936.33 C ATOM 45114 C4* U 03167 132.551 -56.140 40.812 1.00936.33 C ATOM 45115 O4* U 03167 132.616 -56.394 42.237 1.00936.33 O ATOM 45116 C3* U 03167 133.476 -54.956 40.619 1.00936.33 C ATOM 45117 O3* U 03167 133.192 -54.275 39.404 1.00936.33 O ATOM 45118 C2* U 03167 133.180 -54.119 41.860 1.00936.33 C ATOM 45119 O2* U 03167 132.001 -53.348 41.740 1.00936.33 O ATOM 45120 C1* U 03167 132.993 -55.209 42.917 1.00936.33 C ATOM 45121 N1 U 03167 134.205 -55.498 43.701 1.00936.33 N ATOM 45122 C2 U 03167 134.409 -54.768 44.847 1.00936.33 C ATOM 45123 O2 U 03167 133.626 -53.928 45.231 1.00936.33 O ATOM 45124 N3 U 03167 135.566 -55.063 45.532 1.00936.33 N ATOM 45125 C4 U 03167 136.519 -56.001 45.182 1.00936.33 C ATOM 45126 O4 U 03167 137.550 -56.107 45.852 1.00936.33 O ATOM 45127 C5 U 03167 136.224 -56.724 43.988 1.00936.33 C ATOM 45128 C6 U 03167 135.103 -56.454 43.305 1.00936.33 C ATOM 45129 P G 03168 134.387 -53.560 38.607 1.00936.33 P ATOM 45130 O1P G 03168 133.875 -52.954 37.350 1.00936.33 O ATOM 45131 O2P G 03168 135.508 -54.527 38.551 1.00936.33 O ATOM 45132 O5* G 03168 134.801 -52.369 39.572 1.00936.33 O ATOM 45133 C5* G 03168 133.878 -51.341 39.861 1.00936.33 C ATOM 45134 C4* G 03168 134.391 -50.501 40.997 1.00936.33 C ATOM 45135 O4* G 03168 134.430 -51.300 42.209 1.00936.33 O ATOM 45136 C3* G 03168 135.817 -50.008 40.843 1.00936.33 C ATOM 45137 O3* G 03168 135.873 -48.846 40.027 1.00936.33 O ATOM 45138 C2* G 03168 136.180 -49.702 42.287 1.00936.33 C ATOM 45139 O2* G 03168 135.634 -48.479 42.727 1.00936.33 O ATOM 45140 C1* G 03168 135.512 -50.873 43.015 1.00936.33 C ATOM 45141 N9 G 03168 136.454 -51.977 43.153 1.00936.33 N ATOM 45142 C8 G 03168 136.800 -52.904 42.203 1.00936.33 C ATOM 45143 N7 G 03168 137.777 -53.685 42.581 1.00936.33 N ATOM 45144 C5 G 03168 138.072 -53.262 43.869 1.00936.33 C ATOM 45145 C6 G 03168 139.063 -53.704 44.767 1.00936.33 C ATOM 45146 O6 G 03168 139.922 -54.566 44.589 1.00936.33 O ATOM 45147 N1 G 03168 139.008 -53.016 45.974 1.00936.33 N ATOM 45148 C2 G 03168 138.115 -52.015 46.272 1.00936.33 C ATOM 45149 N2 G 03168 138.218 -51.466 47.486 1.00936.33 N ATOM 45150 N3 G 03168 137.190 -51.583 45.433 1.00936.33 N ATOM 45151 C4 G 03168 137.232 -52.243 44.254 1.00936.33 C ATOM 45152 P A 03169 137.208 -48.525 39.184 1.00936.33 P ATOM 45153 O1P A 03169 136.870 -47.465 38.189 1.00936.33 O ATOM 45154 O2P A 03169 137.767 -49.825 38.718 1.00936.33 O ATOM 45155 O5* A 03169 138.207 -47.900 40.256 1.00936.33 O ATOM 45156 C5* A 03169 139.547 -47.567 39.908 1.00936.33 C ATOM 45157 C4* A 03169 140.228 -46.880 41.067 1.00936.33 C ATOM 45158 O4* A 03169 139.583 -45.604 41.317 1.00936.33 O ATOM 45159 C3* A 03169 140.118 -47.632 42.380 1.00936.33 C ATOM 45160 O3* A 03169 141.174 -48.572 42.505 1.00936.33 O ATOM 45161 C2* A 03169 140.226 -46.531 43.423 1.00936.33 C ATOM 45162 O2* A 03169 141.564 -46.198 43.707 1.00936.33 O ATOM 45163 C1* A 03169 139.535 -45.363 42.715 1.00936.33 C ATOM 45164 N9 A 03169 138.134 -45.166 43.090 1.00936.33 N ATOM 45165 C8 A 03169 137.028 -45.400 42.314 1.00936.33 C ATOM 45166 N7 A 03169 135.899 -45.057 42.883 1.00936.33 N ATOM 45167 C5 A 03169 136.287 -44.574 44.123 1.00936.33 C ATOM 45168 C6 A 03169 135.557 -44.031 45.199 1.00936.33 C ATOM 45169 N6 A 03169 134.234 -43.840 45.175 1.00936.33 N ATOM 45170 N1 A 03169 136.240 -43.670 46.303 1.00936.33 N ATOM 45171 C2 A 03169 137.570 -43.836 46.313 1.00936.33 C ATOM 45172 N3 A 03169 138.370 -44.314 45.361 1.00936.33 N ATOM 45173 C4 A 03169 137.658 -44.668 44.278 1.00936.33 C ATOM 45174 P A 03170 140.904 -49.958 43.259 1.00936.33 P ATOM 45175 O1P A 03170 142.069 -50.840 43.031 1.00936.33 O ATOM 45176 O2P A 03170 139.543 -50.402 42.845 1.00936.33 O ATOM 45177 O5* A 03170 140.823 -49.542 44.795 1.00936.33 O ATOM 45178 C5* A 03170 141.902 -48.878 45.445 1.00936.33 C ATOM 45179 C4* A 03170 141.467 -48.403 46.814 1.00936.33 C ATOM 45180 O4* A 03170 140.484 -47.343 46.682 1.00936.33 O ATOM 45181 C3* A 03170 140.810 -49.471 47.677 1.00936.33 C ATOM 45182 O3* A 03170 141.820 -50.124 48.443 1.00936.33 O ATOM 45183 C2* A 03170 139.885 -48.652 48.574 1.00936.33 C ATOM 45184 O2* A 03170 140.576 -48.118 49.678 1.00936.33 O ATOM 45185 C1* A 03170 139.467 -47.503 47.649 1.00936.33 C ATOM 45186 N9 A 03170 138.201 -47.678 46.932 1.00936.33 N ATOM 45187 C8 A 03170 138.010 -48.366 45.764 1.00936.33 C ATOM 45188 N7 A 03170 136.789 -48.290 45.299 1.00936.33 N ATOM 45189 C5 A 03170 136.123 -47.510 46.230 1.00936.33 C ATOM 45190 C6 A 03170 134.793 -47.045 46.301 1.00936.33 C ATOM 45191 N6 A 03170 133.866 -47.305 45.371 1.00936.33 N ATOM 45192 N1 A 03170 134.444 -46.291 47.373 1.00936.33 N ATOM 45193 C2 A 03170 135.376 -46.034 48.300 1.00936.33 C ATOM 45194 N3 A 03170 136.655 -46.412 48.341 1.00936.33 N ATOM 45195 C4 A 03170 136.972 -47.151 47.262 1.00936.33 C ATOM 45196 P A 03171 141.699 -51.690 48.777 1.00936.33 P ATOM 45197 O1P A 03171 142.881 -52.071 49.585 1.00936.33 O ATOM 45198 O2P A 03171 141.465 -52.354 47.478 1.00936.33 O ATOM 45199 O5* A 03171 140.402 -51.804 49.708 1.00936.33 O ATOM 45200 C5* A 03171 140.409 -51.409 51.090 1.00936.33 C ATOM 45201 C4* A 03171 139.335 -52.174 51.847 1.00936.33 C ATOM 45202 O4* A 03171 138.092 -51.975 51.145 1.00936.33 O ATOM 45203 C3* A 03171 139.539 -53.687 51.841 1.00936.33 C ATOM 45204 O3* A 03171 140.110 -54.256 53.045 1.00936.33 O ATOM 45205 C2* A 03171 138.144 -54.293 51.720 1.00936.33 C ATOM 45206 O2* A 03171 137.712 -54.885 52.923 1.00936.33 O ATOM 45207 C1* A 03171 137.269 -53.093 51.363 1.00936.33 C ATOM 45208 N9 A 03171 136.365 -53.267 50.234 1.00936.33 N ATOM 45209 C8 A 03171 136.569 -53.901 49.036 1.00936.33 C ATOM 45210 N7 A 03171 135.528 -53.871 48.241 1.00936.33 N ATOM 45211 C5 A 03171 134.577 -53.163 48.965 1.00936.33 C ATOM 45212 C6 A 03171 133.260 -52.772 48.674 1.00936.33 C ATOM 45213 N6 A 03171 132.649 -53.038 47.516 1.00936.33 N ATOM 45214 N1 A 03171 132.583 -52.080 49.624 1.00936.33 N ATOM 45215 C2 A 03171 133.203 -51.805 50.776 1.00936.33 C ATOM 45216 N3 A 03171 134.439 -52.113 51.160 1.00936.33 N ATOM 45217 C4 A 03171 135.079 -52.796 50.197 1.00936.33 C ATOM 45218 P U 03172 139.965 -53.532 54.498 1.00936.33 P ATOM 45219 O1P U 03172 140.531 -52.159 54.509 1.00936.33 O ATOM 45220 O2P U 03172 140.510 -54.552 55.420 1.00936.33 O ATOM 45221 O5* U 03172 138.408 -53.485 54.838 1.00936.33 O ATOM 45222 C5* U 03172 137.950 -53.068 56.134 1.00936.33 C ATOM 45223 C4* U 03172 136.458 -53.334 56.306 1.00936.33 C ATOM 45224 O4* U 03172 135.778 -53.266 55.029 1.00936.33 O ATOM 45225 C3* U 03172 136.075 -54.706 56.837 1.00936.33 C ATOM 45226 O3* U 03172 136.195 -54.773 58.271 1.00936.33 O ATOM 45227 C2* U 03172 134.688 -55.007 56.256 1.00936.33 C ATOM 45228 O2* U 03172 133.594 -54.898 57.127 1.00936.33 O ATOM 45229 C1* U 03172 134.569 -53.993 55.117 1.00936.33 C ATOM 45230 N1 U 03172 134.197 -54.521 53.797 1.00936.33 N ATOM 45231 C2 U 03172 132.931 -54.208 53.344 1.00936.33 C ATOM 45232 O2 U 03172 132.144 -53.562 54.001 1.00936.33 O ATOM 45233 N3 U 03172 132.624 -54.677 52.094 1.00936.33 N ATOM 45234 C4 U 03172 133.434 -55.417 51.269 1.00936.33 C ATOM 45235 O4 U 03172 133.073 -55.633 50.115 1.00936.33 O ATOM 45236 C5 U 03172 134.715 -55.731 51.820 1.00936.33 C ATOM 45237 C6 U 03172 135.044 -55.278 53.040 1.00936.33 C ATOM 45238 P A 03173 135.338 -53.791 59.238 1.00936.33 P ATOM 45239 O1P A 03173 134.188 -53.190 58.539 1.00936.33 O ATOM 45240 O2P A 03173 136.325 -52.898 59.901 1.00936.33 O ATOM 45241 O5* A 03173 134.804 -54.781 60.367 1.00936.33 O ATOM 45242 C5* A 03173 133.676 -55.620 60.138 1.00936.33 C ATOM 45243 C4* A 03173 133.887 -56.983 60.756 1.00936.33 C ATOM 45244 O4* A 03173 134.876 -57.729 60.008 1.00936.33 O ATOM 45245 C3* A 03173 134.406 -57.035 62.181 1.00936.33 C ATOM 45246 O3* A 03173 133.356 -56.839 63.110 1.00936.33 O ATOM 45247 C2* A 03173 134.933 -58.461 62.266 1.00936.33 C ATOM 45248 O2* A 03173 133.907 -59.409 62.475 1.00936.33 O ATOM 45249 C1* A 03173 135.509 -58.661 60.866 1.00936.33 C ATOM 45250 N9 A 03173 136.952 -58.452 60.787 1.00936.33 N ATOM 45251 C8 A 03173 137.618 -57.527 60.020 1.00936.33 C ATOM 45252 N7 A 03173 138.922 -57.620 60.094 1.00936.33 N ATOM 45253 C5 A 03173 139.130 -58.670 60.975 1.00936.33 C ATOM 45254 C6 A 03173 140.298 -59.288 61.442 1.00936.33 C ATOM 45255 N6 A 03173 141.530 -58.936 61.057 1.00936.33 N ATOM 45256 N1 A 03173 140.159 -60.302 62.321 1.00936.33 N ATOM 45257 C2 A 03173 138.927 -60.668 62.688 1.00936.33 C ATOM 45258 N3 A 03173 137.755 -60.178 62.306 1.00936.33 N ATOM 45259 C4 A 03173 137.928 -59.170 61.434 1.00936.33 C ATOM 45260 P C 03174 133.507 -55.725 64.252 1.00936.33 P ATOM 45261 O1P C 03174 132.436 -55.941 65.262 1.00936.33 O ATOM 45262 O2P C 03174 133.626 -54.400 63.576 1.00936.33 O ATOM 45263 O5* C 03174 134.894 -56.087 64.945 1.00936.33 O ATOM 45264 C5* C 03174 134.968 -57.116 65.920 1.00936.33 C ATOM 45265 C4* C 03174 136.408 -57.455 66.214 1.00936.33 C ATOM 45266 O4* C 03174 137.058 -57.903 64.995 1.00936.33 O ATOM 45267 C3* C 03174 137.293 -56.305 66.674 1.00936.33 C ATOM 45268 O3* C 03174 137.161 -56.072 68.054 1.00936.33 O ATOM 45269 C2* C 03174 138.672 -56.850 66.368 1.00936.33 C ATOM 45270 O2* C 03174 139.051 -57.840 67.300 1.00936.33 O ATOM 45271 C1* C 03174 138.419 -57.494 65.008 1.00936.33 C ATOM 45272 N1 C 03174 138.624 -56.545 63.908 1.00936.33 N ATOM 45273 C2 C 03174 139.925 -56.231 63.540 1.00936.33 C ATOM 45274 O2 C 03174 140.856 -56.718 64.191 1.00936.33 O ATOM 45275 N3 C 03174 140.140 -55.406 62.488 1.00936.33 N ATOM 45276 C4 C 03174 139.101 -54.899 61.824 1.00936.33 C ATOM 45277 N4 C 03174 139.351 -54.136 60.764 1.00936.33 N ATOM 45278 C5 C 03174 137.758 -55.166 62.208 1.00936.33 C ATOM 45279 C6 C 03174 137.567 -55.991 63.246 1.00936.33 C ATOM 45280 P C 03175 137.086 -54.566 68.589 1.00936.33 P ATOM 45281 O1P C 03175 136.452 -54.596 69.934 1.00936.33 O ATOM 45282 O2P C 03175 136.508 -53.722 67.520 1.00936.33 O ATOM 45283 O5* C 03175 138.611 -54.145 68.753 1.00936.33 O ATOM 45284 C5* C 03175 139.528 -54.985 69.438 1.00936.33 C ATOM 45285 C4* C 03175 140.929 -54.514 69.185 1.00936.33 C ATOM 45286 O4* C 03175 141.255 -54.726 67.788 1.00936.33 O ATOM 45287 C3* C 03175 141.154 -53.027 69.391 1.00936.33 C ATOM 45288 O3* C 03175 141.363 -52.736 70.768 1.00936.33 O ATOM 45289 C2* C 03175 142.390 -52.772 68.533 1.00936.33 C ATOM 45290 O2* C 03175 143.598 -53.177 69.141 1.00936.33 O ATOM 45291 C1* C 03175 142.121 -53.699 67.344 1.00936.33 C ATOM 45292 N1 C 03175 141.501 -53.045 66.187 1.00936.33 N ATOM 45293 C2 C 03175 142.324 -52.394 65.273 1.00936.33 C ATOM 45294 O2 C 03175 143.527 -52.327 65.511 1.00936.33 O ATOM 45295 N3 C 03175 141.785 -51.854 64.155 1.00936.33 N ATOM 45296 C4 C 03175 140.467 -51.940 63.949 1.00936.33 C ATOM 45297 N4 C 03175 139.977 -51.428 62.818 1.00936.33 N ATOM 45298 C5 C 03175 139.593 -52.566 64.890 1.00936.33 C ATOM 45299 C6 C 03175 140.148 -53.097 65.985 1.00936.33 C ATOM 45300 P A 03176 141.036 -51.263 71.328 1.00936.33 P ATOM 45301 O1P A 03176 141.183 -51.308 72.807 1.00936.33 O ATOM 45302 O2P A 03176 139.770 -50.766 70.739 1.00936.33 O ATOM 45303 O5* A 03176 142.207 -50.388 70.712 1.00936.33 O ATOM 45304 C5* A 03176 141.942 -49.124 70.145 1.00936.33 C ATOM 45305 C4* A 03176 143.104 -48.695 69.297 1.00936.33 C ATOM 45306 O4* A 03176 143.164 -49.506 68.094 1.00936.33 O ATOM 45307 C3* A 03176 142.987 -47.276 68.790 1.00936.33 C ATOM 45308 O3* A 03176 143.474 -46.418 69.806 1.00936.33 O ATOM 45309 C2* A 03176 143.874 -47.306 67.552 1.00936.33 C ATOM 45310 O2* A 03176 145.244 -47.263 67.883 1.00936.33 O ATOM 45311 C1* A 03176 143.551 -48.695 66.993 1.00936.33 C ATOM 45312 N9 A 03176 142.452 -48.688 66.028 1.00936.33 N ATOM 45313 C8 A 03176 141.169 -49.141 66.219 1.00936.33 C ATOM 45314 N7 A 03176 140.404 -49.031 65.164 1.00936.33 N ATOM 45315 C5 A 03176 141.235 -48.462 64.210 1.00936.33 C ATOM 45316 C6 A 03176 141.025 -48.101 62.870 1.00936.33 C ATOM 45317 N6 A 03176 139.867 -48.280 62.228 1.00936.33 N ATOM 45318 N1 A 03176 142.060 -47.549 62.198 1.00936.33 N ATOM 45319 C2 A 03176 143.223 -47.382 62.841 1.00936.33 C ATOM 45320 N3 A 03176 143.545 -47.690 64.096 1.00936.33 N ATOM 45321 C4 A 03176 142.497 -48.234 64.734 1.00936.33 C ATOM 45322 P C 03177 142.759 -45.009 70.072 1.00936.33 P ATOM 45323 O1P C 03177 143.228 -44.552 71.400 1.00936.33 O ATOM 45324 O2P C 03177 141.303 -45.108 69.812 1.00936.33 O ATOM 45325 O5* C 03177 143.403 -44.091 68.950 1.00936.33 O ATOM 45326 C5* C 03177 144.796 -43.863 68.952 1.00936.33 C ATOM 45327 C4* C 03177 145.225 -43.347 67.616 1.00936.33 C ATOM 45328 O4* C 03177 144.992 -44.377 66.619 1.00936.33 O ATOM 45329 C3* C 03177 144.421 -42.174 67.101 1.00936.33 C ATOM 45330 O3* C 03177 144.847 -40.950 67.681 1.00936.33 O ATOM 45331 C2* C 03177 144.702 -42.256 65.609 1.00936.33 C ATOM 45332 O2* C 03177 145.990 -41.773 65.279 1.00936.33 O ATOM 45333 C1* C 03177 144.638 -43.770 65.388 1.00936.33 C ATOM 45334 N1 C 03177 143.284 -44.222 65.020 1.00936.33 N ATOM 45335 C2 C 03177 142.897 -44.145 63.678 1.00936.33 C ATOM 45336 O2 C 03177 143.724 -43.746 62.844 1.00936.33 O ATOM 45337 N3 C 03177 141.641 -44.515 63.325 1.00936.33 N ATOM 45338 C4 C 03177 140.791 -44.965 64.259 1.00936.33 C ATOM 45339 N4 C 03177 139.559 -45.321 63.871 1.00936.33 N ATOM 45340 C5 C 03177 141.168 -45.072 65.633 1.00936.33 C ATOM 45341 C6 C 03177 142.412 -44.692 65.967 1.00936.33 C ATOM 45342 P C 03178 143.854 -39.682 67.670 1.00936.33 P ATOM 45343 O1P C 03178 144.533 -38.562 68.379 1.00936.33 O ATOM 45344 O2P C 03178 142.526 -40.144 68.136 1.00936.33 O ATOM 45345 O5* C 03178 143.750 -39.294 66.130 1.00936.33 O ATOM 45346 C5* C 03178 144.905 -38.898 65.402 1.00936.33 C ATOM 45347 C4* C 03178 144.530 -38.492 63.996 1.00936.33 C ATOM 45348 O4* C 03178 144.186 -39.657 63.190 1.00936.33 O ATOM 45349 C3* C 03178 143.306 -37.606 63.883 1.00936.33 C ATOM 45350 O3* C 03178 143.585 -36.249 64.184 1.00936.33 O ATOM 45351 C2* C 03178 142.909 -37.808 62.429 1.00936.33 C ATOM 45352 O2* C 03178 143.716 -37.068 61.531 1.00936.33 O ATOM 45353 C1* C 03178 143.165 -39.306 62.263 1.00936.33 C ATOM 45354 N1 C 03178 141.961 -40.095 62.569 1.00936.33 N ATOM 45355 C2 C 03178 140.979 -40.221 61.585 1.00936.33 C ATOM 45356 O2 C 03178 141.161 -39.675 60.491 1.00936.33 O ATOM 45357 N3 C 03178 139.864 -40.935 61.850 1.00936.33 N ATOM 45358 C4 C 03178 139.714 -41.520 63.043 1.00936.33 C ATOM 45359 N4 C 03178 138.598 -42.226 63.264 1.00936.33 N ATOM 45360 C5 C 03178 140.702 -41.407 64.066 1.00936.33 C ATOM 45361 C6 C 03178 141.798 -40.692 63.786 1.00936.33 C ATOM 45362 P C 03179 142.368 -35.246 64.496 1.00936.33 P ATOM 45363 O1P C 03179 142.918 -33.885 64.709 1.00936.33 O ATOM 45364 O2P C 03179 141.499 -35.861 65.536 1.00936.33 O ATOM 45365 O5* C 03179 141.573 -35.224 63.120 1.00936.33 O ATOM 45366 C5* C 03179 140.230 -34.780 63.060 1.00936.33 C ATOM 45367 C4* C 03179 139.708 -34.935 61.658 1.00936.33 C ATOM 45368 O4* C 03179 139.716 -36.335 61.272 1.00936.33 O ATOM 45369 C3* C 03179 138.270 -34.504 61.474 1.00936.33 C ATOM 45370 O3* C 03179 138.258 -33.105 61.252 1.00936.33 O ATOM 45371 C2* C 03179 137.879 -35.273 60.219 1.00936.33 C ATOM 45372 O2* C 03179 138.372 -34.662 59.044 1.00936.33 O ATOM 45373 C1* C 03179 138.596 -36.607 60.450 1.00936.33 C ATOM 45374 N1 C 03179 137.761 -37.603 61.135 1.00936.33 N ATOM 45375 C2 C 03179 136.587 -38.045 60.513 1.00936.33 C ATOM 45376 O2 C 03179 136.311 -37.615 59.383 1.00936.33 O ATOM 45377 N3 C 03179 135.791 -38.928 61.152 1.00936.33 N ATOM 45378 C4 C 03179 136.135 -39.383 62.358 1.00936.33 C ATOM 45379 N4 C 03179 135.312 -40.245 62.961 1.00936.33 N ATOM 45380 C5 C 03179 137.339 -38.972 63.005 1.00936.33 C ATOM 45381 C6 C 03179 138.113 -38.088 62.365 1.00936.33 C ATOM 45382 P U 03180 137.178 -32.181 61.997 1.00936.33 P ATOM 45383 O1P U 03180 137.669 -30.789 61.796 1.00936.33 O ATOM 45384 O2P U 03180 136.942 -32.695 63.373 1.00936.33 O ATOM 45385 O5* U 03180 135.871 -32.360 61.116 1.00936.33 O ATOM 45386 C5* U 03180 135.905 -32.066 59.728 1.00936.33 C ATOM 45387 C4* U 03180 134.580 -32.387 59.107 1.00936.33 C ATOM 45388 O4* U 03180 134.431 -33.825 58.970 1.00936.33 O ATOM 45389 C3* U 03180 133.383 -31.955 59.934 1.00936.33 C ATOM 45390 O3* U 03180 133.104 -30.577 59.695 1.00936.33 O ATOM 45391 C2* U 03180 132.294 -32.886 59.417 1.00936.33 C ATOM 45392 O2* U 03180 131.774 -32.462 58.176 1.00936.33 O ATOM 45393 C1* U 03180 133.080 -34.177 59.190 1.00936.33 C ATOM 45394 N1 U 03180 133.031 -35.146 60.296 1.00936.33 N ATOM 45395 C2 U 03180 131.842 -35.805 60.512 1.00936.33 C ATOM 45396 O2 U 03180 130.840 -35.578 59.860 1.00936.33 O ATOM 45397 N3 U 03180 131.865 -36.733 61.520 1.00936.33 N ATOM 45398 C4 U 03180 132.928 -37.059 62.324 1.00936.33 C ATOM 45399 O4 U 03180 132.780 -37.905 63.206 1.00936.33 O ATOM 45400 C5 U 03180 134.124 -36.322 62.054 1.00936.33 C ATOM 45401 C6 U 03180 134.134 -35.406 61.076 1.00936.33 C ATOM 45402 P C 03181 134.038 -31.174 64.968 1.00682.03 P ATOM 45403 O1P C 03181 133.932 -29.691 64.960 1.00682.03 O ATOM 45404 O2P C 03181 134.814 -31.853 66.041 1.00682.03 O ATOM 45405 O5* C 03181 132.566 -31.759 64.979 1.00682.03 O ATOM 45406 C5* C 03181 131.610 -31.328 64.011 1.00682.03 C ATOM 45407 C4* C 03181 130.295 -31.963 64.315 1.00682.03 C ATOM 45408 O4* C 03181 130.434 -33.380 64.095 1.00682.03 O ATOM 45409 C3* C 03181 129.903 -31.769 65.770 1.00682.03 C ATOM 45410 O3* C 03181 129.137 -30.548 65.796 1.00682.03 O ATOM 45411 C2* C 03181 129.164 -33.069 66.103 1.00682.03 C ATOM 45412 O2* C 03181 127.783 -33.032 65.798 1.00682.03 O ATOM 45413 C1* C 03181 129.836 -34.085 65.158 1.00682.03 C ATOM 45414 N1 C 03181 130.842 -35.032 65.700 1.00682.03 N ATOM 45415 C2 C 03181 130.408 -36.252 66.243 1.00682.03 C ATOM 45416 O2 C 03181 129.194 -36.478 66.334 1.00682.03 O ATOM 45417 N3 C 03181 131.328 -37.155 66.666 1.00682.03 N ATOM 45418 C4 C 03181 132.626 -36.877 66.570 1.00682.03 C ATOM 45419 N4 C 03181 133.488 -37.804 66.972 1.00682.03 N ATOM 45420 C5 C 03181 133.095 -35.634 66.059 1.00682.03 C ATOM 45421 C6 C 03181 132.179 -34.747 65.641 1.00682.03 C ATOM 45422 P U 03182 128.719 -30.470 68.490 1.00682.03 P ATOM 45423 O1P U 03182 127.752 -29.414 68.872 1.00682.03 O ATOM 45424 O2P U 03182 130.099 -30.441 69.031 1.00682.03 O ATOM 45425 O5* U 03182 128.085 -31.873 68.869 1.00682.03 O ATOM 45426 C5* U 03182 126.700 -32.131 68.639 1.00682.03 C ATOM 45427 C4* U 03182 126.387 -33.539 69.036 1.00682.03 C ATOM 45428 O4* U 03182 127.272 -34.414 68.289 1.00682.03 O ATOM 45429 C3* U 03182 126.692 -33.897 70.483 1.00682.03 C ATOM 45430 O3* U 03182 125.622 -33.513 71.344 1.00682.03 O ATOM 45431 C2* U 03182 126.835 -35.407 70.400 1.00682.03 C ATOM 45432 O2* U 03182 125.571 -36.026 70.291 1.00682.03 O ATOM 45433 C1* U 03182 127.566 -35.562 69.064 1.00682.03 C ATOM 45434 N1 U 03182 129.027 -35.692 69.188 1.00682.03 N ATOM 45435 C2 U 03182 129.537 -36.949 69.452 1.00682.03 C ATOM 45436 O2 U 03182 128.838 -37.936 69.564 1.00682.03 O ATOM 45437 N3 U 03182 130.899 -37.011 69.580 1.00682.03 N ATOM 45438 C4 U 03182 131.789 -35.979 69.467 1.00682.03 C ATOM 45439 O4 U 03182 132.992 -36.206 69.609 1.00682.03 O ATOM 45440 C5 U 03182 131.196 -34.706 69.180 1.00682.03 C ATOM 45441 C6 U 03182 129.869 -34.608 69.054 1.00682.03 C ATOM 45442 P A 03183 125.871 -33.375 72.933 1.00682.03 P ATOM 45443 O1P A 03183 124.870 -32.384 73.402 1.00682.03 O ATOM 45444 O2P A 03183 127.303 -33.169 73.240 1.00682.03 O ATOM 45445 O5* A 03183 125.466 -34.804 73.506 1.00682.03 O ATOM 45446 C5* A 03183 124.144 -35.343 73.304 1.00682.03 C ATOM 45447 C4* A 03183 124.084 -36.754 73.827 1.00682.03 C ATOM 45448 O4* A 03183 124.964 -37.606 73.047 1.00682.03 O ATOM 45449 C3* A 03183 124.586 -36.912 75.253 1.00682.03 C ATOM 45450 O3* A 03183 123.551 -36.607 76.170 1.00682.03 O ATOM 45451 C2* A 03183 124.974 -38.380 75.287 1.00682.03 C ATOM 45452 O2* A 03183 123.821 -39.196 75.362 1.00682.03 O ATOM 45453 C1* A 03183 125.598 -38.546 73.901 1.00682.03 C ATOM 45454 N9 A 03183 127.036 -38.282 73.859 1.00682.03 N ATOM 45455 C8 A 03183 127.651 -37.099 73.512 1.00682.03 C ATOM 45456 N7 A 03183 128.959 -37.162 73.524 1.00682.03 N ATOM 45457 C5 A 03183 129.226 -38.465 73.909 1.00682.03 C ATOM 45458 C6 A 03183 130.427 -39.161 74.096 1.00682.03 C ATOM 45459 N6 A 03183 131.638 -38.617 73.906 1.00682.03 N ATOM 45460 N1 A 03183 130.347 -40.455 74.488 1.00682.03 N ATOM 45461 C2 A 03183 129.139 -40.993 74.674 1.00682.03 C ATOM 45462 N3 A 03183 127.938 -40.439 74.523 1.00682.03 N ATOM 45463 C4 A 03183 128.051 -39.162 74.133 1.00682.03 C ATOM 45464 P C 03184 124.245 -36.393 78.055 1.00682.03 P ATOM 45465 O1P C 03184 123.014 -35.942 78.753 1.00682.03 O ATOM 45466 O2P C 03184 125.343 -35.420 77.806 1.00682.03 O ATOM 45467 O5* C 03184 124.855 -37.625 78.857 1.00682.03 O ATOM 45468 C5* C 03184 124.063 -38.788 79.125 1.00682.03 C ATOM 45469 C4* C 03184 124.948 -39.945 79.520 1.00682.03 C ATOM 45470 O4* C 03184 125.807 -40.306 78.406 1.00682.03 O ATOM 45471 C3* C 03184 125.923 -39.690 80.660 1.00682.03 C ATOM 45472 O3* C 03184 125.289 -39.775 81.938 1.00682.03 O ATOM 45473 C2* C 03184 126.956 -40.786 80.434 1.00682.03 C ATOM 45474 O2* C 03184 126.537 -42.052 80.902 1.00682.03 O ATOM 45475 C1* C 03184 127.036 -40.814 78.907 1.00682.03 C ATOM 45476 N1 C 03184 128.143 -39.990 78.397 1.00682.03 N ATOM 45477 C2 C 03184 129.367 -40.609 78.122 1.00682.03 C ATOM 45478 O2 C 03184 129.479 -41.831 78.306 1.00682.03 O ATOM 45479 N3 C 03184 130.396 -39.864 77.661 1.00682.03 N ATOM 45480 C4 C 03184 130.239 -38.551 77.473 1.00682.03 C ATOM 45481 N4 C 03184 131.280 -37.856 77.016 1.00682.03 N ATOM 45482 C5 C 03184 129.004 -37.897 77.746 1.00682.03 C ATOM 45483 C6 C 03184 127.993 -38.645 78.200 1.00682.03 C ATOM 45484 P U 03185 125.892 -38.961 83.193 1.00682.03 P ATOM 45485 O1P U 03185 124.751 -38.585 84.066 1.00682.03 O ATOM 45486 O2P U 03185 126.808 -37.904 82.689 1.00682.03 O ATOM 45487 O5* U 03185 126.781 -40.040 83.959 1.00682.03 O ATOM 45488 C5* U 03185 127.732 -40.828 83.236 1.00682.03 C ATOM 45489 C4* U 03185 128.605 -41.628 84.168 1.00682.03 C ATOM 45490 O4* U 03185 129.556 -42.364 83.345 1.00682.03 O ATOM 45491 C3* U 03185 129.449 -40.811 85.142 1.00682.03 C ATOM 45492 O3* U 03185 128.810 -40.647 86.409 1.00682.03 O ATOM 45493 C2* U 03185 130.751 -41.602 85.209 1.00682.03 C ATOM 45494 O2* U 03185 130.655 -42.728 86.056 1.00682.03 O ATOM 45495 C1* U 03185 130.878 -42.064 83.757 1.00682.03 C ATOM 45496 N1 U 03185 131.427 -41.042 82.847 1.00682.03 N ATOM 45497 C2 U 03185 132.766 -41.141 82.490 1.00682.03 C ATOM 45498 O2 U 03185 133.495 -42.044 82.871 1.00682.03 O ATOM 45499 N3 U 03185 133.219 -40.139 81.665 1.00682.03 N ATOM 45500 C4 U 03185 132.491 -39.074 81.164 1.00682.03 C ATOM 45501 O4 U 03185 133.061 -38.207 80.496 1.00682.03 O ATOM 45502 C5 U 03185 131.119 -39.055 81.562 1.00682.03 C ATOM 45503 C6 U 03185 130.647 -40.010 82.365 1.00682.03 C ATOM 45504 P C 03186 129.123 -39.341 87.299 1.00682.03 P ATOM 45505 O1P C 03186 128.642 -39.616 88.677 1.00682.03 O ATOM 45506 O2P C 03186 128.610 -38.153 86.571 1.00682.03 O ATOM 45507 O5* C 03186 130.715 -39.267 87.342 1.00682.03 O ATOM 45508 C5* C 03186 131.472 -40.248 88.070 1.00682.03 C ATOM 45509 C4* C 03186 132.953 -40.038 87.863 1.00682.03 C ATOM 45510 O4* C 03186 133.285 -40.214 86.461 1.00682.03 O ATOM 45511 C3* C 03186 133.499 -38.659 88.182 1.00682.03 C ATOM 45512 O3* C 03186 133.703 -38.443 89.570 1.00682.03 O ATOM 45513 C2* C 03186 134.804 -38.659 87.407 1.00682.03 C ATOM 45514 O2* C 03186 135.814 -39.408 88.048 1.00682.03 O ATOM 45515 C1* C 03186 134.378 -39.367 86.120 1.00682.03 C ATOM 45516 N1 C 03186 133.933 -38.395 85.097 1.00682.03 N ATOM 45517 C2 C 03186 134.892 -37.812 84.247 1.00682.03 C ATOM 45518 O2 C 03186 136.085 -38.162 84.348 1.00682.03 O ATOM 45519 N3 C 03186 134.496 -36.886 83.341 1.00682.03 N ATOM 45520 C4 C 03186 133.205 -36.542 83.257 1.00682.03 C ATOM 45521 N4 C 03186 132.861 -35.618 82.359 1.00682.03 N ATOM 45522 C5 C 03186 132.210 -37.130 84.091 1.00682.03 C ATOM 45523 C6 C 03186 132.612 -38.044 84.986 1.00682.03 C ATOM 45524 P U 03187 134.095 -37.305 90.327 1.00682.03 P ATOM 45525 O1P U 03187 134.434 -37.610 91.743 1.00682.03 O ATOM 45526 O2P U 03187 132.795 -36.660 90.013 1.00682.03 O ATOM 45527 O5* U 03187 135.218 -36.382 89.664 1.00682.03 O ATOM 45528 C5* U 03187 136.607 -36.765 89.650 1.00682.03 C ATOM 45529 C4* U 03187 137.387 -35.886 88.684 1.00682.03 C ATOM 45530 O4* U 03187 136.877 -36.087 87.338 1.00682.03 O ATOM 45531 C3* U 03187 137.322 -34.372 88.885 1.00682.03 C ATOM 45532 O3* U 03187 138.261 -33.917 89.865 1.00682.03 O ATOM 45533 C2* U 03187 137.688 -33.852 87.501 1.00682.03 C ATOM 45534 O2* U 03187 139.077 -33.869 87.251 1.00682.03 O ATOM 45535 C1* U 03187 137.007 -34.885 86.598 1.00682.03 C ATOM 45536 N1 U 03187 135.680 -34.449 86.138 1.00682.03 N ATOM 45537 C2 U 03187 135.637 -33.571 85.073 1.00682.03 C ATOM 45538 O2 U 03187 136.639 -33.156 84.517 1.00682.03 O ATOM 45539 N3 U 03187 134.380 -33.194 84.681 1.00682.03 N ATOM 45540 C4 U 03187 133.183 -33.598 85.225 1.00682.03 C ATOM 45541 O4 U 03187 132.128 -33.210 84.718 1.00682.03 O ATOM 45542 C5 U 03187 133.306 -34.504 86.326 1.00682.03 C ATOM 45543 C6 U 03187 134.518 -34.889 86.733 1.00682.03 C ATOM 45544 P U 03188 138.440 -31.757 90.763 1.00682.03 P ATOM 45545 O1P U 03188 139.260 -31.528 91.985 1.00682.03 O ATOM 45546 O2P U 03188 136.963 -31.614 90.834 1.00682.03 O ATOM 45547 O5* U 03188 138.985 -30.781 89.624 1.00682.03 O ATOM 45548 C5* U 03188 140.384 -30.443 89.553 1.00682.03 C ATOM 45549 C4* U 03188 140.631 -29.440 88.445 1.00682.03 C ATOM 45550 O4* U 03188 140.189 -30.012 87.187 1.00682.03 O ATOM 45551 C3* U 03188 139.878 -28.115 88.528 1.00682.03 C ATOM 45552 O3* U 03188 140.494 -27.177 89.416 1.00682.03 O ATOM 45553 C2* U 03188 139.890 -27.654 87.076 1.00682.03 C ATOM 45554 O2* U 03188 141.127 -27.096 86.668 1.00682.03 O ATOM 45555 C1* U 03188 139.686 -28.982 86.345 1.00682.03 C ATOM 45556 N1 U 03188 138.273 -29.265 86.031 1.00682.03 N ATOM 45557 C2 U 03188 137.731 -28.659 84.909 1.00682.03 C ATOM 45558 O2 U 03188 138.356 -27.888 84.204 1.00682.03 O ATOM 45559 N3 U 03188 136.425 -28.981 84.649 1.00682.03 N ATOM 45560 C4 U 03188 135.613 -29.817 85.379 1.00682.03 C ATOM 45561 O4 U 03188 134.461 -30.031 84.991 1.00682.03 O ATOM 45562 C5 U 03188 136.234 -30.389 86.537 1.00682.03 C ATOM 45563 C6 U 03188 137.510 -30.101 86.815 1.00682.03 C ATOM 45564 P U 03189 139.550 -25.876 90.433 1.00682.03 P ATOM 45565 O1P U 03189 140.283 -25.052 91.423 1.00682.03 O ATOM 45566 O2P U 03189 138.404 -26.708 90.886 1.00682.03 O ATOM 45567 O5* U 03189 139.001 -24.951 89.255 1.00682.03 O ATOM 45568 C5* U 03189 139.878 -24.084 88.503 1.00682.03 C ATOM 45569 C4* U 03189 139.137 -23.466 87.333 1.00682.03 C ATOM 45570 O4* U 03189 138.698 -24.510 86.421 1.00682.03 O ATOM 45571 C3* U 03189 137.861 -22.708 87.662 1.00682.03 C ATOM 45572 O3* U 03189 138.130 -21.388 88.130 1.00682.03 O ATOM 45573 C2* U 03189 137.129 -22.727 86.325 1.00682.03 C ATOM 45574 O2* U 03189 137.596 -21.765 85.397 1.00682.03 O ATOM 45575 C1* U 03189 137.476 -24.130 85.814 1.00682.03 C ATOM 45576 N1 U 03189 136.441 -25.122 86.150 1.00682.03 N ATOM 45577 C2 U 03189 135.349 -25.216 85.300 1.00682.03 C ATOM 45578 O2 U 03189 135.239 -24.554 84.288 1.00682.03 O ATOM 45579 N3 U 03189 134.393 -26.121 85.679 1.00682.03 N ATOM 45580 C4 U 03189 134.407 -26.933 86.787 1.00682.03 C ATOM 45581 O4 U 03189 133.448 -27.671 87.004 1.00682.03 O ATOM 45582 C5 U 03189 135.574 -26.798 87.614 1.00682.03 C ATOM 45583 C6 U 03189 136.527 -25.920 87.273 1.00682.03 C ATOM 45584 P G 03190 136.955 -20.517 88.815 1.00682.03 P ATOM 45585 O1P G 03190 137.618 -19.453 89.608 1.00682.03 O ATOM 45586 O2P G 03190 135.962 -21.400 89.472 1.00682.03 O ATOM 45587 O5* G 03190 136.235 -19.825 87.574 1.00682.03 O ATOM 45588 C5* G 03190 136.971 -18.964 86.687 1.00682.03 C ATOM 45589 C4* G 03190 136.084 -18.468 85.573 1.00682.03 C ATOM 45590 O4* G 03190 135.652 -19.587 84.761 1.00682.03 O ATOM 45591 C3* G 03190 134.780 -17.804 85.979 1.00682.03 C ATOM 45592 O3* G 03190 134.956 -16.458 86.400 1.00682.03 O ATOM 45593 C2* G 03190 133.978 -17.911 84.690 1.00682.03 C ATOM 45594 O2* G 03190 134.377 -16.991 83.696 1.00682.03 O ATOM 45595 C1* G 03190 134.361 -19.317 84.228 1.00682.03 C ATOM 45596 N9 G 03190 133.413 -20.318 84.720 1.00682.03 N ATOM 45597 C8 G 03190 133.570 -21.176 85.784 1.00682.03 C ATOM 45598 N7 G 03190 132.523 -21.929 85.991 1.00682.03 N ATOM 45599 C5 G 03190 131.620 -21.550 85.004 1.00682.03 C ATOM 45600 C6 G 03190 130.302 -22.009 84.732 1.00682.03 C ATOM 45601 O6 G 03190 129.642 -22.852 85.330 1.00682.03 O ATOM 45602 N1 G 03190 129.753 -21.358 83.635 1.00682.03 N ATOM 45603 C2 G 03190 130.378 -20.385 82.895 1.00682.03 C ATOM 45604 N2 G 03190 129.680 -19.880 81.864 1.00682.03 N ATOM 45605 N3 G 03190 131.597 -19.941 83.145 1.00682.03 N ATOM 45606 C4 G 03190 132.157 -20.566 84.204 1.00682.03 C ATOM 45607 P A 03191 134.789 -14.804 87.159 1.00682.03 P ATOM 45608 O1P A 03191 135.376 -13.627 87.834 1.00682.03 O ATOM 45609 O2P A 03191 134.880 -16.143 87.798 1.00682.03 O ATOM 45610 O5* A 03191 133.248 -14.524 86.876 1.00682.03 O ATOM 45611 C5* A 03191 132.823 -13.477 85.974 1.00682.03 C ATOM 45612 C4* A 03191 131.320 -13.522 85.800 1.00682.03 C ATOM 45613 O4* A 03191 130.919 -14.752 85.127 1.00682.03 O ATOM 45614 C3* A 03191 130.541 -13.535 87.101 1.00682.03 C ATOM 45615 O3* A 03191 130.403 -12.213 87.594 1.00682.03 O ATOM 45616 C2* A 03191 129.225 -14.185 86.688 1.00682.03 C ATOM 45617 O2* A 03191 128.341 -13.303 86.015 1.00682.03 O ATOM 45618 C1* A 03191 129.708 -15.233 85.686 1.00682.03 C ATOM 45619 N9 A 03191 129.973 -16.542 86.284 1.00682.03 N ATOM 45620 C8 A 03191 131.184 -17.042 86.705 1.00682.03 C ATOM 45621 N7 A 03191 131.117 -18.259 87.184 1.00682.03 N ATOM 45622 C5 A 03191 129.770 -18.586 87.079 1.00682.03 C ATOM 45623 C6 A 03191 129.048 -19.746 87.410 1.00682.03 C ATOM 45624 N6 A 03191 129.603 -20.839 87.943 1.00682.03 N ATOM 45625 N1 A 03191 127.720 -19.749 87.172 1.00682.03 N ATOM 45626 C2 A 03191 127.163 -18.655 86.641 1.00682.03 C ATOM 45627 N3 A 03191 127.733 -17.504 86.289 1.00682.03 N ATOM 45628 C4 A 03191 129.054 -17.536 86.533 1.00682.03 C ATOM 45629 P C 03192 130.311 -11.961 89.175 1.00682.03 P ATOM 45630 O1P C 03192 130.307 -10.494 89.409 1.00682.03 O ATOM 45631 O2P C 03192 131.326 -12.801 89.854 1.00682.03 O ATOM 45632 O5* C 03192 128.867 -12.525 89.529 1.00682.03 O ATOM 45633 C5* C 03192 127.702 -11.838 89.064 1.00682.03 C ATOM 45634 C4* C 03192 126.476 -12.681 89.251 1.00682.03 C ATOM 45635 O4* C 03192 126.596 -13.905 88.476 1.00682.03 O ATOM 45636 C3* C 03192 126.212 -13.199 90.649 1.00682.03 C ATOM 45637 O3* C 03192 125.720 -12.210 91.540 1.00682.03 O ATOM 45638 C2* C 03192 125.222 -14.321 90.357 1.00682.03 C ATOM 45639 O2* C 03192 123.925 -13.871 90.029 1.00682.03 O ATOM 45640 C1* C 03192 125.848 -14.937 89.108 1.00682.03 C ATOM 45641 N1 C 03192 126.757 -16.032 89.479 1.00682.03 N ATOM 45642 C2 C 03192 126.239 -17.330 89.560 1.00682.03 C ATOM 45643 O2 C 03192 125.050 -17.519 89.271 1.00682.03 O ATOM 45644 N3 C 03192 127.044 -18.340 89.953 1.00682.03 N ATOM 45645 C4 C 03192 128.321 -18.102 90.247 1.00682.03 C ATOM 45646 N4 C 03192 129.067 -19.130 90.658 1.00682.03 N ATOM 45647 C5 C 03192 128.887 -16.795 90.142 1.00682.03 C ATOM 45648 C6 C 03192 128.079 -15.801 89.759 1.00682.03 C ATOM 45649 P G 03193 126.013 -12.354 93.123 1.00682.03 P ATOM 45650 O1P G 03193 125.548 -11.124 93.800 1.00682.03 O ATOM 45651 O2P G 03193 127.422 -12.799 93.293 1.00682.03 O ATOM 45652 O5* G 03193 125.078 -13.554 93.585 1.00682.03 O ATOM 45653 C5* G 03193 123.668 -13.503 93.369 1.00682.03 C ATOM 45654 C4* G 03193 123.059 -14.866 93.576 1.00682.03 C ATOM 45655 O4* G 03193 123.672 -15.812 92.662 1.00682.03 O ATOM 45656 C3* G 03193 123.260 -15.501 94.940 1.00682.03 C ATOM 45657 O3* G 03193 122.326 -14.995 95.885 1.00682.03 O ATOM 45658 C2* G 03193 123.025 -16.970 94.625 1.00682.03 C ATOM 45659 O2* G 03193 121.658 -17.266 94.457 1.00682.03 O ATOM 45660 C1* G 03193 123.712 -17.094 93.263 1.00682.03 C ATOM 45661 N9 G 03193 125.107 -17.518 93.372 1.00682.03 N ATOM 45662 C8 G 03193 126.235 -16.764 93.146 1.00682.03 C ATOM 45663 N7 G 03193 127.342 -17.430 93.336 1.00682.03 N ATOM 45664 C5 G 03193 126.919 -18.695 93.707 1.00682.03 C ATOM 45665 C6 G 03193 127.664 -19.845 94.043 1.00682.03 C ATOM 45666 O6 G 03193 128.889 -19.978 94.070 1.00682.03 O ATOM 45667 N1 G 03193 126.841 -20.915 94.375 1.00682.03 N ATOM 45668 C2 G 03193 125.464 -20.878 94.385 1.00682.03 C ATOM 45669 N2 G 03193 124.837 -21.996 94.779 1.00682.03 N ATOM 45670 N3 G 03193 124.756 -19.816 94.051 1.00682.03 N ATOM 45671 C4 G 03193 125.542 -18.768 93.732 1.00682.03 C ATOM 45672 P U 03194 122.622 -15.123 97.460 1.00682.03 P ATOM 45673 O1P U 03194 121.478 -14.476 98.178 1.00682.03 O ATOM 45674 O2P U 03194 124.014 -14.673 97.736 1.00682.03 O ATOM 45675 O5* U 03194 122.560 -16.686 97.746 1.00682.03 O ATOM 45676 C5* U 03194 121.314 -17.397 97.686 1.00682.03 C ATOM 45677 C4* U 03194 121.481 -18.781 98.249 1.00682.03 C ATOM 45678 O4* U 03194 122.328 -19.577 97.375 1.00682.03 O ATOM 45679 C3* U 03194 122.184 -18.862 99.595 1.00682.03 C ATOM 45680 O3* U 03194 121.314 -18.552 100.674 1.00682.03 O ATOM 45681 C2* U 03194 122.647 -20.306 99.611 1.00682.03 C ATOM 45682 O2* U 03194 121.587 -21.210 99.858 1.00682.03 O ATOM 45683 C1* U 03194 123.090 -20.483 98.158 1.00682.03 C ATOM 45684 N1 U 03194 124.524 -20.223 97.944 1.00682.03 N ATOM 45685 C2 U 03194 125.405 -21.252 98.238 1.00682.03 C ATOM 45686 O2 U 03194 125.046 -22.319 98.708 1.00682.03 O ATOM 45687 N3 U 03194 126.721 -20.990 97.967 1.00682.03 N ATOM 45688 C4 U 03194 127.247 -19.825 97.451 1.00682.03 C ATOM 45689 O4 U 03194 128.459 -19.761 97.224 1.00682.03 O ATOM 45690 C5 U 03194 126.278 -18.790 97.204 1.00682.03 C ATOM 45691 C6 U 03194 124.986 -19.019 97.457 1.00682.03 C ATOM 45692 P U 03195 121.889 -17.782 101.961 1.00682.03 P ATOM 45693 O1P U 03195 120.741 -17.288 102.774 1.00682.03 O ATOM 45694 O2P U 03195 122.928 -16.825 101.512 1.00682.03 O ATOM 45695 O5* U 03195 122.623 -18.935 102.769 1.00682.03 O ATOM 45696 C5* U 03195 121.887 -20.009 103.366 1.00682.03 C ATOM 45697 C4* U 03195 122.834 -21.075 103.858 1.00682.03 C ATOM 45698 O4* U 03195 123.521 -21.666 102.724 1.00682.03 O ATOM 45699 C3* U 03195 123.980 -20.607 104.745 1.00682.03 C ATOM 45700 O3* U 03195 123.590 -20.375 106.087 1.00682.03 O ATOM 45701 C2* U 03195 124.961 -21.763 104.602 1.00682.03 C ATOM 45702 O2* U 03195 124.567 -22.916 105.313 1.00682.03 O ATOM 45703 C1* U 03195 124.831 -22.057 103.109 1.00682.03 C ATOM 45704 N1 U 03195 125.808 -21.285 102.325 1.00682.03 N ATOM 45705 C2 U 03195 127.057 -21.853 102.126 1.00682.03 C ATOM 45706 O2 U 03195 127.358 -22.954 102.551 1.00682.03 O ATOM 45707 N3 U 03195 127.939 -21.082 101.414 1.00682.03 N ATOM 45708 C4 U 03195 127.713 -19.830 100.889 1.00682.03 C ATOM 45709 O4 U 03195 128.610 -19.272 100.265 1.00682.03 O ATOM 45710 C5 U 03195 126.403 -19.306 101.126 1.00682.03 C ATOM 45711 C6 U 03195 125.513 -20.035 101.818 1.00682.03 C ATOM 45712 P G 03196 124.455 -19.380 107.001 1.00682.03 P ATOM 45713 O1P G 03196 123.733 -19.216 108.289 1.00682.03 O ATOM 45714 O2P G 03196 124.832 -18.180 106.209 1.00682.03 O ATOM 45715 O5* G 03196 125.795 -20.196 107.275 1.00682.03 O ATOM 45716 C5* G 03196 125.767 -21.445 107.982 1.00682.03 C ATOM 45717 C4* G 03196 127.166 -21.987 108.125 1.00682.03 C ATOM 45718 O4* G 03196 127.691 -22.347 106.817 1.00682.03 O ATOM 45719 C3* G 03196 128.188 -21.000 108.659 1.00682.03 C ATOM 45720 O3* G 03196 128.125 -20.885 110.065 1.00682.03 O ATOM 45721 C2* G 03196 129.496 -21.595 108.166 1.00682.03 C ATOM 45722 O2* G 03196 129.921 -22.701 108.939 1.00682.03 O ATOM 45723 C1* G 03196 129.084 -22.084 106.775 1.00682.03 C ATOM 45724 N9 G 03196 129.326 -21.089 105.739 1.00682.03 N ATOM 45725 C8 G 03196 128.428 -20.176 105.251 1.00682.03 C ATOM 45726 N7 G 03196 128.933 -19.401 104.334 1.00682.03 N ATOM 45727 C5 G 03196 130.245 -19.828 104.206 1.00682.03 C ATOM 45728 C6 G 03196 131.294 -19.344 103.374 1.00682.03 C ATOM 45729 O6 G 03196 131.267 -18.417 102.562 1.00682.03 O ATOM 45730 N1 G 03196 132.470 -20.058 103.567 1.00682.03 N ATOM 45731 C2 G 03196 132.622 -21.100 104.445 1.00682.03 C ATOM 45732 N2 G 03196 133.832 -21.661 104.480 1.00682.03 N ATOM 45733 N3 G 03196 131.657 -21.559 105.231 1.00682.03 N ATOM 45734 C4 G 03196 130.505 -20.875 105.061 1.00682.03 C ATOM 45735 P U 03197 130.305 -21.940 111.464 1.00682.03 P ATOM 45736 O1P U 03197 130.115 -22.628 112.766 1.00682.03 O ATOM 45737 O2P U 03197 130.132 -20.465 111.385 1.00682.03 O ATOM 45738 O5* U 03197 131.767 -22.310 110.950 1.00682.03 O ATOM 45739 C5* U 03197 132.179 -23.683 110.821 1.00682.03 C ATOM 45740 C4* U 03197 133.631 -23.755 110.415 1.00682.03 C ATOM 45741 O4* U 03197 133.803 -23.111 109.119 1.00682.03 O ATOM 45742 C3* U 03197 134.617 -23.069 111.354 1.00682.03 C ATOM 45743 O3* U 03197 135.849 -23.779 111.294 1.00682.03 O ATOM 45744 C2* U 03197 134.758 -21.687 110.727 1.00682.03 C ATOM 45745 O2* U 03197 135.959 -21.031 111.069 1.00682.03 O ATOM 45746 C1* U 03197 134.719 -22.039 109.239 1.00682.03 C ATOM 45747 N1 U 03197 134.278 -20.942 108.359 1.00682.03 N ATOM 45748 C2 U 03197 135.199 -20.417 107.460 1.00682.03 C ATOM 45749 O2 U 03197 136.340 -20.834 107.354 1.00682.03 O ATOM 45750 N3 U 03197 134.728 -19.383 106.689 1.00682.03 N ATOM 45751 C4 U 03197 133.462 -18.833 106.714 1.00682.03 C ATOM 45752 O4 U 03197 133.207 -17.867 105.990 1.00682.03 O ATOM 45753 C5 U 03197 132.567 -19.438 107.652 1.00682.03 C ATOM 45754 C6 U 03197 132.991 -20.443 108.421 1.00682.03 C ATOM 45755 P A 02181 136.432 -18.993 112.494 1.00737.35 P ATOM 45756 O1P A 02181 135.924 -19.118 113.884 1.00737.35 O ATOM 45757 O2P A 02181 136.464 -17.659 111.843 1.00737.35 O ATOM 45758 O5* A 02181 137.906 -19.597 112.423 1.00737.35 O ATOM 45759 C5* A 02181 138.616 -19.970 113.604 1.00737.35 C ATOM 45760 C4* A 02181 139.933 -20.614 113.241 1.00737.35 C ATOM 45761 O4* A 02181 139.678 -21.813 112.465 1.00737.35 O ATOM 45762 C3* A 02181 140.849 -19.778 112.358 1.00737.35 C ATOM 45763 O3* A 02181 141.651 -18.897 113.141 1.00737.35 O ATOM 45764 C2* A 02181 141.694 -20.843 111.671 1.00737.35 C ATOM 45765 O2* A 02181 142.751 -21.322 112.479 1.00737.35 O ATOM 45766 C1* A 02181 140.662 -21.951 111.451 1.00737.35 C ATOM 45767 N9 A 02181 139.996 -21.897 110.146 1.00737.35 N ATOM 45768 C8 A 02181 138.647 -21.911 109.890 1.00737.35 C ATOM 45769 N7 A 02181 138.347 -21.855 108.615 1.00737.35 N ATOM 45770 C5 A 02181 139.584 -21.796 107.985 1.00737.35 C ATOM 45771 C6 A 02181 139.952 -21.721 106.631 1.00737.35 C ATOM 45772 N6 A 02181 139.073 -21.690 105.625 1.00737.35 N ATOM 45773 N1 A 02181 141.269 -21.677 106.339 1.00737.35 N ATOM 45774 C2 A 02181 142.149 -21.709 107.348 1.00737.35 C ATOM 45775 N3 A 02181 141.927 -21.781 108.658 1.00737.35 N ATOM 45776 C4 A 02181 140.608 -21.823 108.915 1.00737.35 C ATOM 45777 P A 02182 141.936 -17.401 112.620 1.00737.35 P ATOM 45778 O1P A 02182 142.908 -16.767 113.546 1.00737.35 O ATOM 45779 O2P A 02182 140.622 -16.754 112.385 1.00737.35 O ATOM 45780 O5* A 02182 142.649 -17.601 111.207 1.00737.35 O ATOM 45781 C5* A 02182 143.814 -18.415 111.078 1.00737.35 C ATOM 45782 C4* A 02182 144.589 -18.033 109.837 1.00737.35 C ATOM 45783 O4* A 02182 143.740 -18.205 108.670 1.00737.35 O ATOM 45784 C3* A 02182 145.034 -16.582 109.765 1.00737.35 C ATOM 45785 O3* A 02182 146.259 -16.380 110.460 1.00737.35 O ATOM 45786 C2* A 02182 145.200 -16.375 108.264 1.00737.35 C ATOM 45787 O2* A 02182 146.423 -16.882 107.764 1.00737.35 O ATOM 45788 C1* A 02182 144.032 -17.195 107.714 1.00737.35 C ATOM 45789 N9 A 02182 142.824 -16.397 107.493 1.00737.35 N ATOM 45790 C8 A 02182 141.646 -16.421 108.204 1.00737.35 C ATOM 45791 N7 A 02182 140.747 -15.576 107.766 1.00737.35 N ATOM 45792 C5 A 02182 141.370 -14.952 106.693 1.00737.35 C ATOM 45793 C6 A 02182 140.943 -13.950 105.805 1.00737.35 C ATOM 45794 N6 A 02182 139.738 -13.375 105.857 1.00737.35 N ATOM 45795 N1 A 02182 141.807 -13.548 104.846 1.00737.35 N ATOM 45796 C2 A 02182 143.014 -14.123 104.795 1.00737.35 C ATOM 45797 N3 A 02182 143.531 -15.073 105.573 1.00737.35 N ATOM 45798 C4 A 02182 142.647 -15.449 106.513 1.00737.35 C ATOM 45799 P C 02183 146.419 -15.115 111.442 1.00737.35 P ATOM 45800 O1P C 02183 147.868 -14.896 111.687 1.00737.35 O ATOM 45801 O2P C 02183 145.506 -15.330 112.592 1.00737.35 O ATOM 45802 O5* C 02183 145.860 -13.889 110.592 1.00737.35 O ATOM 45803 C5* C 02183 146.514 -13.459 109.398 1.00737.35 C ATOM 45804 C4* C 02183 145.643 -12.479 108.646 1.00737.35 C ATOM 45805 O4* C 02183 144.431 -13.146 108.205 1.00737.35 O ATOM 45806 C3* C 02183 145.145 -11.291 109.453 1.00737.35 C ATOM 45807 O3* C 02183 146.117 -10.253 109.494 1.00737.35 O ATOM 45808 C2* C 02183 143.893 -10.878 108.683 1.00737.35 C ATOM 45809 O2* C 02183 144.179 -10.092 107.542 1.00737.35 O ATOM 45810 C1* C 02183 143.341 -12.238 108.254 1.00737.35 C ATOM 45811 N1 C 02183 142.310 -12.775 109.168 1.00737.35 N ATOM 45812 C2 C 02183 140.979 -12.346 109.025 1.00737.35 C ATOM 45813 O2 C 02183 140.696 -11.522 108.137 1.00737.35 O ATOM 45814 N3 C 02183 140.033 -12.838 109.859 1.00737.35 N ATOM 45815 C4 C 02183 140.368 -13.719 110.804 1.00737.35 C ATOM 45816 N4 C 02183 139.400 -14.179 111.600 1.00737.35 N ATOM 45817 C5 C 02183 141.709 -14.169 110.975 1.00737.35 C ATOM 45818 C6 C 02183 142.638 -13.679 110.146 1.00737.35 C ATOM 45819 P C 02184 146.196 -9.284 110.775 1.00737.35 P ATOM 45820 O1P C 02184 147.319 -8.334 110.571 1.00737.35 O ATOM 45821 O2P C 02184 146.174 -10.140 111.989 1.00737.35 O ATOM 45822 O5* C 02184 144.827 -8.471 110.724 1.00737.35 O ATOM 45823 C5* C 02184 144.598 -7.481 109.725 1.00737.35 C ATOM 45824 C4* C 02184 143.259 -6.814 109.941 1.00737.35 C ATOM 45825 O4* C 02184 142.198 -7.774 109.720 1.00737.35 O ATOM 45826 C3* C 02184 143.002 -6.291 111.346 1.00737.35 C ATOM 45827 O3* C 02184 143.586 -5.002 111.524 1.00737.35 O ATOM 45828 C2* C 02184 141.479 -6.240 111.398 1.00737.35 C ATOM 45829 O2* C 02184 140.937 -5.079 110.802 1.00737.35 O ATOM 45830 C1* C 02184 141.100 -7.470 110.567 1.00737.35 C ATOM 45831 N1 C 02184 140.766 -8.663 111.374 1.00737.35 N ATOM 45832 C2 C 02184 139.453 -8.810 111.855 1.00737.35 C ATOM 45833 O2 C 02184 138.612 -7.929 111.599 1.00737.35 O ATOM 45834 N3 C 02184 139.134 -9.902 112.586 1.00737.35 N ATOM 45835 C4 C 02184 140.061 -10.824 112.846 1.00737.35 C ATOM 45836 N4 C 02184 139.697 -11.885 113.572 1.00737.35 N ATOM 45837 C5 C 02184 141.400 -10.702 112.376 1.00737.35 C ATOM 45838 C6 C 02184 141.706 -9.618 111.650 1.00737.35 C ATOM 45839 P U 02185 144.208 -4.599 112.953 1.00737.35 P ATOM 45840 O1P U 02185 144.817 -3.252 112.826 1.00737.35 O ATOM 45841 O2P U 02185 145.036 -5.739 113.419 1.00737.35 O ATOM 45842 O5* U 02185 142.936 -4.488 113.908 1.00737.35 O ATOM 45843 C5* U 02185 141.978 -3.448 113.733 1.00737.35 C ATOM 45844 C4* U 02185 140.765 -3.698 114.601 1.00737.35 C ATOM 45845 O4* U 02185 140.117 -4.926 114.176 1.00737.35 O ATOM 45846 C3* U 02185 141.040 -3.910 116.082 1.00737.35 C ATOM 45847 O3* U 02185 141.161 -2.668 116.769 1.00737.35 O ATOM 45848 C2* U 02185 139.811 -4.697 116.522 1.00737.35 C ATOM 45849 O2* U 02185 138.677 -3.882 116.745 1.00737.35 O ATOM 45850 C1* U 02185 139.577 -5.597 115.306 1.00737.35 C ATOM 45851 N1 U 02185 140.221 -6.917 115.426 1.00737.35 N ATOM 45852 C2 U 02185 139.503 -7.936 116.038 1.00737.35 C ATOM 45853 O2 U 02185 138.370 -7.788 116.471 1.00737.35 O ATOM 45854 N3 U 02185 140.163 -9.137 116.126 1.00737.35 N ATOM 45855 C4 U 02185 141.437 -9.422 115.677 1.00737.35 C ATOM 45856 O4 U 02185 141.893 -10.556 115.833 1.00737.35 O ATOM 45857 C5 U 02185 142.109 -8.325 115.054 1.00737.35 C ATOM 45858 C6 U 02185 141.498 -7.140 114.951 1.00737.35 C ATOM 45859 P G 02186 141.985 -2.598 118.151 1.00737.35 P ATOM 45860 O1P G 02186 142.438 -1.196 118.342 1.00737.35 O ATOM 45861 O2P G 02186 142.984 -3.697 118.153 1.00737.35 O ATOM 45862 O5* G 02186 140.893 -2.928 119.265 1.00737.35 O ATOM 45863 C5* G 02186 139.892 -1.972 119.616 1.00737.35 C ATOM 45864 C4* G 02186 138.826 -2.610 120.476 1.00737.35 C ATOM 45865 O4* G 02186 138.167 -3.662 119.722 1.00737.35 O ATOM 45866 C3* G 02186 139.306 -3.306 121.742 1.00737.35 C ATOM 45867 O3* G 02186 139.487 -2.379 122.808 1.00737.35 O ATOM 45868 C2* G 02186 138.168 -4.281 122.017 1.00737.35 C ATOM 45869 O2* G 02186 137.056 -3.676 122.647 1.00737.35 O ATOM 45870 C1* G 02186 137.791 -4.713 120.599 1.00737.35 C ATOM 45871 N9 G 02186 138.467 -5.938 120.179 1.00737.35 N ATOM 45872 C8 G 02186 139.683 -6.045 119.543 1.00737.35 C ATOM 45873 N7 G 02186 140.027 -7.279 119.300 1.00737.35 N ATOM 45874 C5 G 02186 138.978 -8.034 119.806 1.00737.35 C ATOM 45875 C6 G 02186 138.789 -9.440 119.832 1.00737.35 C ATOM 45876 O6 G 02186 139.533 -10.330 119.398 1.00737.35 O ATOM 45877 N1 G 02186 137.583 -9.780 120.438 1.00737.35 N ATOM 45878 C2 G 02186 136.675 -8.886 120.954 1.00737.35 C ATOM 45879 N2 G 02186 135.570 -9.412 121.499 1.00737.35 N ATOM 45880 N3 G 02186 136.842 -7.575 120.936 1.00737.35 N ATOM 45881 C4 G 02186 138.008 -7.222 120.350 1.00737.35 C ATOM 45882 P A 02187 140.328 -2.813 124.107 1.00737.35 P ATOM 45883 O1P A 02187 140.590 -1.595 124.917 1.00737.35 O ATOM 45884 O2P A 02187 141.469 -3.651 123.656 1.00737.35 O ATOM 45885 O5* A 02187 139.323 -3.750 124.921 1.00737.35 O ATOM 45886 C5* A 02187 138.161 -3.206 125.541 1.00737.35 C ATOM 45887 C4* A 02187 137.490 -4.242 126.416 1.00737.35 C ATOM 45888 O4* A 02187 136.960 -5.315 125.594 1.00737.35 O ATOM 45889 C3* A 02187 138.380 -4.956 127.422 1.00737.35 C ATOM 45890 O3* A 02187 138.565 -4.168 128.595 1.00737.35 O ATOM 45891 C2* A 02187 137.584 -6.225 127.708 1.00737.35 C ATOM 45892 O2* A 02187 136.549 -6.033 128.652 1.00737.35 O ATOM 45893 C1* A 02187 136.978 -6.528 126.333 1.00737.35 C ATOM 45894 N9 A 02187 137.724 -7.534 125.572 1.00737.35 N ATOM 45895 C8 A 02187 138.707 -7.339 124.630 1.00737.35 C ATOM 45896 N7 A 02187 139.184 -8.451 124.125 1.00737.35 N ATOM 45897 C5 A 02187 138.469 -9.447 124.775 1.00737.35 C ATOM 45898 C6 A 02187 138.503 -10.850 124.685 1.00737.35 C ATOM 45899 N6 A 02187 139.318 -11.521 123.869 1.00737.35 N ATOM 45900 N1 A 02187 137.659 -11.552 125.472 1.00737.35 N ATOM 45901 C2 A 02187 136.838 -10.880 126.291 1.00737.35 C ATOM 45902 N3 A 02187 136.713 -9.565 126.465 1.00737.35 N ATOM 45903 C4 A 02187 137.566 -8.897 125.668 1.00737.35 C ATOM 45904 P A 02188 139.869 -4.394 129.507 1.00737.35 P ATOM 45905 O1P A 02188 139.855 -3.376 130.589 1.00737.35 O ATOM 45906 O2P A 02188 141.044 -4.488 128.604 1.00737.35 O ATOM 45907 O5* A 02188 139.635 -5.829 130.160 1.00737.35 O ATOM 45908 C5* A 02188 138.626 -6.029 131.151 1.00737.35 C ATOM 45909 C4* A 02188 138.606 -7.472 131.599 1.00737.35 C ATOM 45910 O4* A 02188 138.200 -8.320 130.496 1.00737.35 O ATOM 45911 C3* A 02188 139.940 -8.050 132.042 1.00737.35 C ATOM 45912 O3* A 02188 140.220 -7.719 133.397 1.00737.35 O ATOM 45913 C2* A 02188 139.720 -9.546 131.853 1.00737.35 C ATOM 45914 O2* A 02188 139.014 -10.144 132.920 1.00737.35 O ATOM 45915 C1* A 02188 138.863 -9.571 130.585 1.00737.35 C ATOM 45916 N9 A 02188 139.640 -9.774 129.359 1.00737.35 N ATOM 45917 C8 A 02188 140.232 -8.827 128.558 1.00737.35 C ATOM 45918 N7 A 02188 140.864 -9.329 127.525 1.00737.35 N ATOM 45919 C5 A 02188 140.676 -10.699 127.652 1.00737.35 C ATOM 45920 C6 A 02188 141.103 -11.789 126.872 1.00737.35 C ATOM 45921 N6 A 02188 141.832 -11.665 125.761 1.00737.35 N ATOM 45922 N1 A 02188 140.744 -13.027 127.278 1.00737.35 N ATOM 45923 C2 A 02188 140.011 -13.150 128.390 1.00737.35 C ATOM 45924 N3 A 02188 139.553 -12.207 129.205 1.00737.35 N ATOM 45925 C4 A 02188 139.923 -10.986 128.776 1.00737.35 C ATOM 45926 P A 02189 141.713 -7.303 133.827 1.00737.35 P ATOM 45927 O1P A 02189 141.679 -6.870 135.247 1.00737.35 O ATOM 45928 O2P A 02189 142.235 -6.376 132.790 1.00737.35 O ATOM 45929 O5* A 02189 142.537 -8.665 133.726 1.00737.35 O ATOM 45930 C5* A 02189 142.668 -9.529 134.853 1.00737.35 C ATOM 45931 C4* A 02189 143.896 -10.401 134.710 1.00737.35 C ATOM 45932 O4* A 02189 143.701 -11.350 133.631 1.00737.35 O ATOM 45933 C3* A 02189 145.183 -9.677 134.346 1.00737.35 C ATOM 45934 O3* A 02189 145.800 -9.133 135.506 1.00737.35 O ATOM 45935 C2* A 02189 146.020 -10.796 133.732 1.00737.35 C ATOM 45936 O2* A 02189 146.676 -11.593 134.698 1.00737.35 O ATOM 45937 C1* A 02189 144.949 -11.631 133.019 1.00737.35 C ATOM 45938 N9 A 02189 144.835 -11.362 131.584 1.00737.35 N ATOM 45939 C8 A 02189 144.291 -10.262 130.963 1.00737.35 C ATOM 45940 N7 A 02189 144.334 -10.320 129.655 1.00737.35 N ATOM 45941 C5 A 02189 144.947 -11.538 129.393 1.00737.35 C ATOM 45942 C6 A 02189 145.286 -12.192 128.193 1.00737.35 C ATOM 45943 N6 A 02189 145.044 -11.685 126.982 1.00737.35 N ATOM 45944 N1 A 02189 145.886 -13.396 128.282 1.00737.35 N ATOM 45945 C2 A 02189 146.127 -13.904 129.496 1.00737.35 C ATOM 45946 N3 A 02189 145.858 -13.389 130.693 1.00737.35 N ATOM 45947 C4 A 02189 145.261 -12.190 130.572 1.00737.35 C ATOM 45948 P A 02190 145.974 -7.539 135.645 1.00737.35 P ATOM 45949 O1P A 02190 146.601 -7.259 136.964 1.00737.35 O ATOM 45950 O2P A 02190 144.670 -6.914 135.309 1.00737.35 O ATOM 45951 O5* A 02190 147.021 -7.155 134.508 1.00737.35 O ATOM 45952 C5* A 02190 147.258 -5.789 134.166 1.00737.35 C ATOM 45953 C4* A 02190 148.722 -5.570 133.854 1.00737.35 C ATOM 45954 O4* A 02190 149.513 -5.878 135.033 1.00737.35 O ATOM 45955 C3* A 02190 149.308 -6.456 132.764 1.00737.35 C ATOM 45956 O3* A 02190 149.068 -5.894 131.477 1.00737.35 O ATOM 45957 C2* A 02190 150.793 -6.459 133.113 1.00737.35 C ATOM 45958 O2* A 02190 151.474 -5.305 132.663 1.00737.35 O ATOM 45959 C1* A 02190 150.743 -6.465 134.644 1.00737.35 C ATOM 45960 N9 A 02190 150.820 -7.806 135.228 1.00737.35 N ATOM 45961 C8 A 02190 149.813 -8.733 135.357 1.00737.35 C ATOM 45962 N7 A 02190 150.191 -9.850 135.925 1.00737.35 N ATOM 45963 C5 A 02190 151.539 -9.648 136.192 1.00737.35 C ATOM 45964 C6 A 02190 152.518 -10.463 136.790 1.00737.35 C ATOM 45965 N6 A 02190 152.276 -11.693 137.250 1.00737.35 N ATOM 45966 N1 A 02190 153.767 -9.962 136.905 1.00737.35 N ATOM 45967 C2 A 02190 154.006 -8.728 136.447 1.00737.35 C ATOM 45968 N3 A 02190 153.173 -7.867 135.867 1.00737.35 N ATOM 45969 C4 A 02190 151.940 -8.395 135.769 1.00737.35 C ATOM 45970 P A 02191 148.944 -6.855 130.194 1.00737.35 P ATOM 45971 O1P A 02191 148.028 -7.976 130.531 1.00737.35 O ATOM 45972 O2P A 02191 150.323 -7.151 129.727 1.00737.35 O ATOM 45973 O5* A 02191 148.230 -5.944 129.099 1.00737.35 O ATOM 45974 C5* A 02191 148.847 -4.754 128.611 1.00737.35 C ATOM 45975 C4* A 02191 147.914 -3.579 128.786 1.00737.35 C ATOM 45976 O4* A 02191 147.609 -3.426 130.198 1.00737.35 O ATOM 45977 C3* A 02191 148.474 -2.225 128.370 1.00737.35 C ATOM 45978 O3* A 02191 148.294 -2.004 126.972 1.00737.35 O ATOM 45979 C2* A 02191 147.652 -1.263 129.215 1.00737.35 C ATOM 45980 O2* A 02191 146.366 -1.010 128.683 1.00737.35 O ATOM 45981 C1* A 02191 147.526 -2.047 130.524 1.00737.35 C ATOM 45982 N9 A 02191 148.588 -1.734 131.485 1.00737.35 N ATOM 45983 C8 A 02191 149.762 -2.416 131.700 1.00737.35 C ATOM 45984 N7 A 02191 150.518 -1.886 132.632 1.00737.35 N ATOM 45985 C5 A 02191 149.795 -0.783 133.061 1.00737.35 C ATOM 45986 C6 A 02191 150.055 0.197 134.036 1.00737.35 C ATOM 45987 N6 A 02191 151.161 0.223 134.785 1.00737.35 N ATOM 45988 N1 A 02191 149.128 1.162 134.219 1.00737.35 N ATOM 45989 C2 A 02191 148.019 1.135 133.467 1.00737.35 C ATOM 45990 N3 A 02191 147.663 0.269 132.523 1.00737.35 N ATOM 45991 C4 A 02191 148.604 -0.678 132.365 1.00737.35 C ATOM 45992 P U 02192 148.971 -0.723 126.274 1.00737.35 P ATOM 45993 O1P U 02192 150.410 -0.692 126.640 1.00737.35 O ATOM 45994 O2P U 02192 148.110 0.448 126.584 1.00737.35 O ATOM 45995 O5* U 02192 148.864 -1.032 124.713 1.00737.35 O ATOM 45996 C5* U 02192 148.659 0.017 123.766 1.00737.35 C ATOM 45997 C4* U 02192 149.589 -0.144 122.586 1.00737.35 C ATOM 45998 O4* U 02192 150.962 -0.008 123.040 1.00737.35 O ATOM 45999 C3* U 02192 149.554 -1.496 121.891 1.00737.35 C ATOM 46000 O3* U 02192 148.504 -1.553 120.929 1.00737.35 O ATOM 46001 C2* U 02192 150.929 -1.558 121.236 1.00737.35 C ATOM 46002 O2* U 02192 151.001 -0.839 120.021 1.00737.35 O ATOM 46003 C1* U 02192 151.801 -0.878 122.295 1.00737.35 C ATOM 46004 N1 U 02192 152.446 -1.822 123.224 1.00737.35 N ATOM 46005 C2 U 02192 153.705 -2.304 122.889 1.00737.35 C ATOM 46006 O2 U 02192 154.295 -1.982 121.869 1.00737.35 O ATOM 46007 N3 U 02192 154.247 -3.180 123.797 1.00737.35 N ATOM 46008 C4 U 02192 153.680 -3.617 124.975 1.00737.35 C ATOM 46009 O4 U 02192 154.299 -4.406 125.690 1.00737.35 O ATOM 46010 C5 U 02192 152.386 -3.077 125.251 1.00737.35 C ATOM 46011 C6 U 02192 151.827 -2.221 124.389 1.00737.35 C ATOM 46012 P C 02193 147.894 -2.979 120.498 1.00737.35 P ATOM 46013 O1P C 02193 146.884 -2.745 119.434 1.00737.35 O ATOM 46014 O2P C 02193 147.500 -3.689 121.740 1.00737.35 O ATOM 46015 O5* C 02193 149.133 -3.743 119.850 1.00737.35 O ATOM 46016 C5* C 02193 149.110 -5.155 119.664 1.00737.35 C ATOM 46017 C4* C 02193 150.454 -5.636 119.174 1.00737.35 C ATOM 46018 O4* C 02193 151.487 -5.191 120.091 1.00737.35 O ATOM 46019 C3* C 02193 150.627 -7.148 119.117 1.00737.35 C ATOM 46020 O3* C 02193 150.121 -7.673 117.895 1.00737.35 O ATOM 46021 C2* C 02193 152.139 -7.305 119.217 1.00737.35 C ATOM 46022 O2* C 02193 152.804 -7.102 117.986 1.00737.35 O ATOM 46023 C1* C 02193 152.500 -6.180 120.191 1.00737.35 C ATOM 46024 N1 C 02193 152.598 -6.620 121.600 1.00737.35 N ATOM 46025 C2 C 02193 153.815 -7.146 122.064 1.00737.35 C ATOM 46026 O2 C 02193 154.779 -7.229 121.282 1.00737.35 O ATOM 46027 N3 C 02193 153.911 -7.549 123.354 1.00737.35 N ATOM 46028 C4 C 02193 152.857 -7.445 124.165 1.00737.35 C ATOM 46029 N4 C 02193 152.999 -7.855 125.427 1.00737.35 N ATOM 46030 C5 C 02193 151.610 -6.916 123.722 1.00737.35 C ATOM 46031 C6 C 02193 151.526 -6.520 122.445 1.00737.35 C ATOM 46032 P A 02194 149.336 -9.077 117.891 1.00737.35 P ATOM 46033 O1P A 02194 149.083 -9.463 116.478 1.00737.35 O ATOM 46034 O2P A 02194 148.193 -8.949 118.832 1.00737.35 O ATOM 46035 O5* A 02194 150.377 -10.109 118.516 1.00737.35 O ATOM 46036 C5* A 02194 151.614 -10.393 117.863 1.00737.35 C ATOM 46037 C4* A 02194 152.543 -11.129 118.801 1.00737.35 C ATOM 46038 O4* A 02194 152.831 -10.283 119.946 1.00737.35 O ATOM 46039 C3* A 02194 151.991 -12.411 119.406 1.00737.35 C ATOM 46040 O3* A 02194 152.181 -13.518 118.527 1.00737.35 O ATOM 46041 C2* A 02194 152.814 -12.544 120.683 1.00737.35 C ATOM 46042 O2* A 02194 154.101 -13.086 120.460 1.00737.35 O ATOM 46043 C1* A 02194 152.933 -11.082 121.116 1.00737.35 C ATOM 46044 N9 A 02194 151.882 -10.669 122.051 1.00737.35 N ATOM 46045 C8 A 02194 150.666 -10.100 121.760 1.00737.35 C ATOM 46046 N7 A 02194 149.936 -9.845 122.817 1.00737.35 N ATOM 46047 C5 A 02194 150.722 -10.274 123.878 1.00737.35 C ATOM 46048 C6 A 02194 150.513 -10.279 125.269 1.00737.35 C ATOM 46049 N6 A 02194 149.404 -9.819 125.853 1.00737.35 N ATOM 46050 N1 A 02194 151.496 -10.776 126.051 1.00737.35 N ATOM 46051 C2 A 02194 152.608 -11.236 125.463 1.00737.35 C ATOM 46052 N3 A 02194 152.921 -11.286 124.171 1.00737.35 N ATOM 46053 C4 A 02194 151.923 -10.785 123.422 1.00737.35 C ATOM 46054 P C 02195 151.010 -14.610 118.347 1.00737.35 P ATOM 46055 O1P C 02195 151.045 -15.081 116.938 1.00737.35 O ATOM 46056 O2P C 02195 149.751 -14.047 118.899 1.00737.35 O ATOM 46057 O5* C 02195 151.453 -15.826 119.281 1.00737.35 O ATOM 46058 C5* C 02195 151.890 -15.606 120.620 1.00737.35 C ATOM 46059 C4* C 02195 151.870 -16.899 121.398 1.00737.35 C ATOM 46060 O4* C 02195 152.466 -16.681 122.705 1.00737.35 O ATOM 46061 C3* C 02195 150.488 -17.459 121.701 1.00737.35 C ATOM 46062 O3* C 02195 149.997 -18.239 120.615 1.00737.35 O ATOM 46063 C2* C 02195 150.748 -18.307 122.939 1.00737.35 C ATOM 46064 O2* C 02195 151.292 -19.578 122.641 1.00737.35 O ATOM 46065 C1* C 02195 151.786 -17.458 123.677 1.00737.35 C ATOM 46066 N1 C 02195 151.197 -16.549 124.684 1.00737.35 N ATOM 46067 C2 C 02195 150.972 -17.032 125.985 1.00737.35 C ATOM 46068 O2 C 02195 151.274 -18.206 126.259 1.00737.35 O ATOM 46069 N3 C 02195 150.431 -16.204 126.909 1.00737.35 N ATOM 46070 C4 C 02195 150.116 -14.949 126.582 1.00737.35 C ATOM 46071 N4 C 02195 149.585 -14.170 127.525 1.00737.35 N ATOM 46072 C5 C 02195 150.335 -14.436 125.270 1.00737.35 C ATOM 46073 C6 C 02195 150.871 -15.260 124.364 1.00737.35 C ATOM 46074 P U 02196 148.428 -18.218 120.261 1.00737.35 P ATOM 46075 O1P U 02196 148.181 -19.220 119.191 1.00737.35 O ATOM 46076 O2P U 02196 148.037 -16.802 120.040 1.00737.35 O ATOM 46077 O5* U 02196 147.718 -18.725 121.595 1.00737.35 O ATOM 46078 C5* U 02196 148.030 -20.000 122.153 1.00737.35 C ATOM 46079 C4* U 02196 147.467 -20.114 123.551 1.00737.35 C ATOM 46080 O4* U 02196 148.042 -19.076 124.386 1.00737.35 O ATOM 46081 C3* U 02196 145.966 -19.908 123.680 1.00737.35 C ATOM 46082 O3* U 02196 145.263 -21.118 123.402 1.00737.35 O ATOM 46083 C2* U 02196 145.823 -19.485 125.139 1.00737.35 C ATOM 46084 O2* U 02196 145.846 -20.575 126.039 1.00737.35 O ATOM 46085 C1* U 02196 147.080 -18.631 125.329 1.00737.35 C ATOM 46086 N1 U 02196 146.849 -17.189 125.134 1.00737.35 N ATOM 46087 C2 U 02196 146.462 -16.436 126.233 1.00737.35 C ATOM 46088 O2 U 02196 146.308 -16.914 127.349 1.00737.35 O ATOM 46089 N3 U 02196 146.258 -15.102 125.983 1.00737.35 N ATOM 46090 C4 U 02196 146.398 -14.452 124.773 1.00737.35 C ATOM 46091 O4 U 02196 146.174 -13.243 124.703 1.00737.35 O ATOM 46092 C5 U 02196 146.801 -15.293 123.687 1.00737.35 C ATOM 46093 C6 U 02196 147.008 -16.598 123.898 1.00737.35 C ATOM 46094 P U 02197 143.714 -21.060 122.975 1.00737.35 P ATOM 46095 O1P U 02197 143.304 -22.423 122.547 1.00737.35 O ATOM 46096 O2P U 02197 143.538 -19.918 122.043 1.00737.35 O ATOM 46097 O5* U 02197 142.955 -20.712 124.331 1.00737.35 O ATOM 46098 C5* U 02197 142.959 -21.622 125.429 1.00737.35 C ATOM 46099 C4* U 02197 142.308 -20.994 126.639 1.00737.35 C ATOM 46100 O4* U 02197 143.085 -19.841 127.060 1.00737.35 O ATOM 46101 C3* U 02197 140.907 -20.443 126.422 1.00737.35 C ATOM 46102 O3* U 02197 139.931 -21.471 126.554 1.00737.35 O ATOM 46103 C2* U 02197 140.795 -19.399 127.527 1.00737.35 C ATOM 46104 O2* U 02197 140.472 -19.957 128.787 1.00737.35 O ATOM 46105 C1* U 02197 142.218 -18.836 127.560 1.00737.35 C ATOM 46106 N1 U 02197 142.392 -17.619 126.747 1.00737.35 N ATOM 46107 C2 U 02197 142.146 -16.394 127.352 1.00737.35 C ATOM 46108 O2 U 02197 141.797 -16.283 128.517 1.00737.35 O ATOM 46109 N3 U 02197 142.324 -15.301 126.541 1.00737.35 N ATOM 46110 C4 U 02197 142.715 -15.299 125.218 1.00737.35 C ATOM 46111 O4 U 02197 142.837 -14.228 124.622 1.00737.35 O ATOM 46112 C5 U 02197 142.949 -16.597 124.664 1.00737.35 C ATOM 46113 C6 U 02197 142.782 -17.684 125.426 1.00737.35 C ATOM 46114 P U 02198 138.598 -21.427 125.657 1.00737.35 P ATOM 46115 O1P U 02198 137.893 -22.726 125.815 1.00737.35 O ATOM 46116 O2P U 02198 138.980 -20.965 124.297 1.00737.35 O ATOM 46117 O5* U 02198 137.716 -20.284 126.333 1.00737.35 O ATOM 46118 C5* U 02198 136.872 -20.568 127.448 1.00737.35 C ATOM 46119 C4* U 02198 135.947 -19.404 127.716 1.00737.35 C ATOM 46120 O4* U 02198 136.721 -18.261 128.166 1.00737.35 O ATOM 46121 C3* U 02198 135.181 -18.883 126.510 1.00737.35 C ATOM 46122 O3* U 02198 134.005 -19.647 126.254 1.00737.35 O ATOM 46123 C2* U 02198 134.858 -17.454 126.931 1.00737.35 C ATOM 46124 O2* U 02198 133.746 -17.368 127.799 1.00737.35 O ATOM 46125 C1* U 02198 136.136 -17.062 127.678 1.00737.35 C ATOM 46126 N1 U 02198 137.121 -16.364 126.832 1.00737.35 N ATOM 46127 C2 U 02198 137.005 -14.984 126.706 1.00737.35 C ATOM 46128 O2 U 02198 136.136 -14.331 127.262 1.00737.35 O ATOM 46129 N3 U 02198 137.950 -14.397 125.901 1.00737.35 N ATOM 46130 C4 U 02198 138.975 -15.027 125.223 1.00737.35 C ATOM 46131 O4 U 02198 139.745 -14.359 124.532 1.00737.35 O ATOM 46132 C5 U 02198 139.027 -16.445 125.402 1.00737.35 C ATOM 46133 C6 U 02198 138.124 -17.050 126.181 1.00737.35 C ATOM 46134 P C 02199 133.747 -20.254 124.783 1.00737.35 P ATOM 46135 O1P C 02199 132.461 -20.995 124.817 1.00737.35 O ATOM 46136 O2P C 02199 134.986 -20.958 124.364 1.00737.35 O ATOM 46137 O5* C 02199 133.555 -18.979 123.844 1.00737.35 O ATOM 46138 C5* C 02199 134.604 -18.029 123.671 1.00737.35 C ATOM 46139 C4* C 02199 134.052 -16.625 123.732 1.00737.35 C ATOM 46140 O4* C 02199 135.127 -15.692 124.004 1.00737.35 O ATOM 46141 C3* C 02199 133.409 -16.103 122.458 1.00737.35 C ATOM 46142 O3* C 02199 132.058 -16.539 122.342 1.00737.35 O ATOM 46143 C2* C 02199 133.513 -14.594 122.642 1.00737.35 C ATOM 46144 O2* C 02199 132.489 -14.061 123.459 1.00737.35 O ATOM 46145 C1* C 02199 134.864 -14.461 123.352 1.00737.35 C ATOM 46146 N1 C 02199 135.993 -14.154 122.450 1.00737.35 N ATOM 46147 C2 C 02199 136.369 -12.814 122.271 1.00737.35 C ATOM 46148 O2 C 02199 135.744 -11.924 122.874 1.00737.35 O ATOM 46149 N3 C 02199 137.401 -12.523 121.448 1.00737.35 N ATOM 46150 C4 C 02199 138.049 -13.505 120.817 1.00737.35 C ATOM 46151 N4 C 02199 139.064 -13.170 120.016 1.00737.35 N ATOM 46152 C5 C 02199 137.687 -14.874 120.978 1.00737.35 C ATOM 46153 C6 C 02199 136.663 -15.149 121.795 1.00737.35 C ATOM 46154 P G 02200 131.402 -16.728 120.886 1.00737.35 P ATOM 46155 O1P G 02200 130.065 -17.353 121.058 1.00737.35 O ATOM 46156 O2P G 02200 132.411 -17.390 120.017 1.00737.35 O ATOM 46157 O5* G 02200 131.200 -15.240 120.357 1.00737.35 O ATOM 46158 C5* G 02200 130.174 -14.405 120.891 1.00737.35 C ATOM 46159 C4* G 02200 130.290 -13.002 120.340 1.00737.35 C ATOM 46160 O4* G 02200 131.539 -12.409 120.785 1.00737.35 O ATOM 46161 C3* G 02200 130.341 -12.880 118.825 1.00737.35 C ATOM 46162 O3* G 02200 129.032 -12.902 118.261 1.00737.35 O ATOM 46163 C2* G 02200 131.022 -11.528 118.639 1.00737.35 C ATOM 46164 O2* G 02200 130.139 -10.434 118.798 1.00737.35 O ATOM 46165 C1* G 02200 132.039 -11.541 119.780 1.00737.35 C ATOM 46166 N9 G 02200 133.359 -12.019 119.368 1.00737.35 N ATOM 46167 C8 G 02200 133.857 -13.294 119.480 1.00737.35 C ATOM 46168 N7 G 02200 135.071 -13.414 119.017 1.00737.35 N ATOM 46169 C5 G 02200 135.395 -12.140 118.568 1.00737.35 C ATOM 46170 C6 G 02200 136.583 -11.655 117.962 1.00737.35 C ATOM 46171 O6 G 02200 137.619 -12.273 117.691 1.00737.35 O ATOM 46172 N1 G 02200 136.489 -10.298 117.665 1.00737.35 N ATOM 46173 C2 G 02200 135.392 -9.509 117.918 1.00737.35 C ATOM 46174 N2 G 02200 135.497 -8.222 117.558 1.00737.35 N ATOM 46175 N3 G 02200 134.281 -9.950 118.482 1.00737.35 N ATOM 46176 C4 G 02200 134.350 -11.266 118.779 1.00737.35 C ATOM 46177 P G 02201 128.840 -13.272 116.705 1.00737.35 P ATOM 46178 O1P G 02201 127.386 -13.423 116.443 1.00737.35 O ATOM 46179 O2P G 02201 129.763 -14.392 116.386 1.00737.35 O ATOM 46180 O5* G 02201 129.356 -11.973 115.938 1.00737.35 O ATOM 46181 C5* G 02201 128.684 -10.723 116.081 1.00737.35 C ATOM 46182 C4* G 02201 129.478 -9.615 115.428 1.00737.35 C ATOM 46183 O4* G 02201 130.766 -9.488 116.087 1.00737.35 O ATOM 46184 C3* G 02201 129.835 -9.816 113.963 1.00737.35 C ATOM 46185 O3* G 02201 128.759 -9.435 113.113 1.00737.35 O ATOM 46186 C2* G 02201 131.039 -8.894 113.797 1.00737.35 C ATOM 46187 O2* G 02201 130.681 -7.538 113.613 1.00737.35 O ATOM 46188 C1* G 02201 131.741 -9.063 115.146 1.00737.35 C ATOM 46189 N9 G 02201 132.825 -10.044 115.114 1.00737.35 N ATOM 46190 C8 G 02201 132.757 -11.380 115.435 1.00737.35 C ATOM 46191 N7 G 02201 133.899 -11.998 115.301 1.00737.35 N ATOM 46192 C5 G 02201 134.775 -11.013 114.866 1.00737.35 C ATOM 46193 C6 G 02201 136.160 -11.085 114.549 1.00737.35 C ATOM 46194 O6 G 02201 136.910 -12.070 114.592 1.00737.35 O ATOM 46195 N1 G 02201 136.656 -9.850 114.149 1.00737.35 N ATOM 46196 C2 G 02201 135.921 -8.692 114.064 1.00737.35 C ATOM 46197 N2 G 02201 136.583 -7.599 113.655 1.00737.35 N ATOM 46198 N3 G 02201 134.634 -8.611 114.355 1.00737.35 N ATOM 46199 C4 G 02201 134.128 -9.802 114.746 1.00737.35 C ATOM 46200 P G 02202 128.663 -10.041 111.629 1.00737.35 P ATOM 46201 O1P G 02202 127.429 -9.515 110.992 1.00737.35 O ATOM 46202 O2P G 02202 128.868 -11.510 111.726 1.00737.35 O ATOM 46203 O5* G 02202 129.926 -9.419 110.877 1.00737.35 O ATOM 46204 C5* G 02202 129.925 -8.060 110.444 1.00737.35 C ATOM 46205 C4* G 02202 131.155 -7.767 109.615 1.00737.35 C ATOM 46206 O4* G 02202 132.339 -7.822 110.452 1.00737.35 O ATOM 46207 C3* G 02202 131.447 -8.749 108.493 1.00737.35 C ATOM 46208 O3* G 02202 130.687 -8.441 107.330 1.00737.35 O ATOM 46209 C2* G 02202 132.942 -8.542 108.263 1.00737.35 C ATOM 46210 O2* G 02202 133.229 -7.424 107.450 1.00737.35 O ATOM 46211 C1* G 02202 133.441 -8.289 109.688 1.00737.35 C ATOM 46212 N9 G 02202 133.998 -9.471 110.340 1.00737.35 N ATOM 46213 C8 G 02202 133.373 -10.297 111.244 1.00737.35 C ATOM 46214 N7 G 02202 134.134 -11.278 111.655 1.00737.35 N ATOM 46215 C5 G 02202 135.333 -11.090 110.978 1.00737.35 C ATOM 46216 C6 G 02202 136.536 -11.843 111.018 1.00737.35 C ATOM 46217 O6 G 02202 136.790 -12.857 111.678 1.00737.35 O ATOM 46218 N1 G 02202 137.502 -11.305 110.174 1.00737.35 N ATOM 46219 C2 G 02202 137.335 -10.186 109.395 1.00737.35 C ATOM 46220 N2 G 02202 138.391 -9.826 108.648 1.00737.35 N ATOM 46221 N3 G 02202 136.220 -9.476 109.349 1.00737.35 N ATOM 46222 C4 G 02202 135.266 -9.982 110.161 1.00737.35 C ATOM 46223 P G 02203 130.050 -9.632 106.454 1.00737.35 P ATOM 46224 O1P G 02203 129.462 -9.019 105.234 1.00737.35 O ATOM 46225 O2P G 02203 129.197 -10.461 107.341 1.00737.35 O ATOM 46226 O5* G 02203 131.310 -10.503 106.018 1.00737.35 O ATOM 46227 C5* G 02203 132.316 -9.961 105.163 1.00737.35 C ATOM 46228 C4* G 02203 133.536 -10.857 105.150 1.00737.35 C ATOM 46229 O4* G 02203 134.124 -10.890 106.477 1.00737.35 O ATOM 46230 C3* G 02203 133.282 -12.318 104.812 1.00737.35 C ATOM 46231 O3* G 02203 133.276 -12.496 103.401 1.00737.35 O ATOM 46232 C2* G 02203 134.482 -13.009 105.451 1.00737.35 C ATOM 46233 O2* G 02203 135.645 -12.960 104.647 1.00737.35 O ATOM 46234 C1* G 02203 134.693 -12.167 106.712 1.00737.35 C ATOM 46235 N9 G 02203 134.089 -12.737 107.914 1.00737.35 N ATOM 46236 C8 G 02203 132.872 -12.416 108.468 1.00737.35 C ATOM 46237 N7 G 02203 132.605 -13.098 109.550 1.00737.35 N ATOM 46238 C5 G 02203 133.712 -13.919 109.722 1.00737.35 C ATOM 46239 C6 G 02203 133.998 -14.879 110.724 1.00737.35 C ATOM 46240 O6 G 02203 133.306 -15.208 111.694 1.00737.35 O ATOM 46241 N1 G 02203 135.232 -15.484 110.516 1.00737.35 N ATOM 46242 C2 G 02203 136.086 -15.203 109.480 1.00737.35 C ATOM 46243 N2 G 02203 137.234 -15.895 109.454 1.00737.35 N ATOM 46244 N3 G 02203 135.833 -14.309 108.538 1.00737.35 N ATOM 46245 C4 G 02203 134.636 -13.708 108.720 1.00737.35 C ATOM 46246 P A 02204 132.077 -13.306 102.697 1.00737.35 P ATOM 46247 O1P A 02204 130.815 -12.570 102.973 1.00737.35 O ATOM 46248 O2P A 02204 132.188 -14.738 103.076 1.00737.35 O ATOM 46249 O5* A 02204 132.401 -13.171 101.141 1.00737.35 O ATOM 46250 C5* A 02204 132.649 -11.891 100.563 1.00737.35 C ATOM 46251 C4* A 02204 134.110 -11.748 100.209 1.00737.35 C ATOM 46252 O4* A 02204 134.906 -12.080 101.381 1.00737.35 O ATOM 46253 C3* A 02204 134.635 -12.670 99.119 1.00737.35 C ATOM 46254 O3* A 02204 134.255 -12.193 97.814 1.00737.35 O ATOM 46255 C2* A 02204 136.118 -12.799 99.467 1.00737.35 C ATOM 46256 O2* A 02204 136.938 -11.723 99.068 1.00737.35 O ATOM 46257 C1* A 02204 136.062 -12.804 100.996 1.00737.35 C ATOM 46258 N9 A 02204 135.994 -14.141 101.590 1.00737.35 N ATOM 46259 C8 A 02204 134.938 -15.021 101.583 1.00737.35 C ATOM 46260 N7 A 02204 135.182 -16.146 102.208 1.00737.35 N ATOM 46261 C5 A 02204 136.487 -16.002 102.657 1.00737.35 C ATOM 46262 C6 A 02204 137.335 -16.849 103.393 1.00737.35 C ATOM 46263 N6 A 02204 136.979 -18.061 103.825 1.00737.35 N ATOM 46264 N1 A 02204 138.579 -16.403 103.673 1.00737.35 N ATOM 46265 C2 A 02204 138.936 -15.186 103.242 1.00737.35 C ATOM 46266 N3 A 02204 138.231 -14.298 102.546 1.00737.35 N ATOM 46267 C4 A 02204 137.001 -14.771 102.282 1.00737.35 C ATOM 46268 P C 02205 135.251 -11.270 96.937 1.00737.35 P ATOM 46269 O1P C 02205 134.473 -10.869 95.736 1.00737.35 O ATOM 46270 O2P C 02205 136.558 -11.951 96.760 1.00737.35 O ATOM 46271 O5* C 02205 135.440 -9.962 97.833 1.00737.35 O ATOM 46272 C5* C 02205 134.358 -9.043 98.004 1.00737.35 C ATOM 46273 C4* C 02205 134.632 -8.075 99.138 1.00737.35 C ATOM 46274 O4* C 02205 134.789 -8.793 100.387 1.00737.35 O ATOM 46275 C3* C 02205 135.887 -7.223 99.063 1.00737.35 C ATOM 46276 O3* C 02205 135.701 -6.112 98.194 1.00737.35 O ATOM 46277 C2* C 02205 136.044 -6.775 100.514 1.00737.35 C ATOM 46278 O2* C 02205 135.217 -5.677 100.847 1.00737.35 O ATOM 46279 C1* C 02205 135.574 -8.016 101.279 1.00737.35 C ATOM 46280 N1 C 02205 136.683 -8.842 101.799 1.00737.35 N ATOM 46281 C2 C 02205 136.988 -8.779 103.171 1.00737.35 C ATOM 46282 O2 C 02205 136.318 -8.037 103.909 1.00737.35 O ATOM 46283 N3 C 02205 138.009 -9.526 103.654 1.00737.35 N ATOM 46284 C4 C 02205 138.709 -10.312 102.832 1.00737.35 C ATOM 46285 N4 C 02205 139.705 -11.030 103.356 1.00737.35 N ATOM 46286 C5 C 02205 138.419 -10.395 101.441 1.00737.35 C ATOM 46287 C6 C 02205 137.408 -9.654 100.970 1.00737.35 C ATOM 46288 P C 02206 136.981 -5.322 97.618 1.00737.35 P ATOM 46289 O1P C 02206 136.480 -4.345 96.618 1.00737.35 O ATOM 46290 O2P C 02206 138.011 -6.316 97.219 1.00737.35 O ATOM 46291 O5* C 02206 137.532 -4.513 98.876 1.00737.35 O ATOM 46292 C5* C 02206 136.775 -3.447 99.452 1.00737.35 C ATOM 46293 C4* C 02206 137.414 -2.983 100.742 1.00737.35 C ATOM 46294 O4* C 02206 137.399 -4.067 101.705 1.00737.35 O ATOM 46295 C3* C 02206 138.877 -2.580 100.655 1.00737.35 C ATOM 46296 O3* C 02206 139.011 -1.232 100.214 1.00737.35 O ATOM 46297 C2* C 02206 139.346 -2.752 102.095 1.00737.35 C ATOM 46298 O2* C 02206 139.013 -1.655 102.924 1.00737.35 O ATOM 46299 C1* C 02206 138.551 -3.988 102.531 1.00737.35 C ATOM 46300 N1 C 02206 139.311 -5.251 102.415 1.00737.35 N ATOM 46301 C2 C 02206 140.067 -5.692 103.514 1.00737.35 C ATOM 46302 O2 C 02206 140.075 -5.013 104.556 1.00737.35 O ATOM 46303 N3 C 02206 140.766 -6.845 103.415 1.00737.35 N ATOM 46304 C4 C 02206 140.735 -7.550 102.281 1.00737.35 C ATOM 46305 N4 C 02206 141.441 -8.683 102.230 1.00737.35 N ATOM 46306 C5 C 02206 139.981 -7.125 101.150 1.00737.35 C ATOM 46307 C6 C 02206 139.290 -5.983 101.259 1.00737.35 C ATOM 46308 P G 02207 140.286 -0.805 99.334 1.00737.35 P ATOM 46309 O1P G 02207 140.210 0.664 99.129 1.00737.35 O ATOM 46310 O2P G 02207 140.366 -1.706 98.155 1.00737.35 O ATOM 46311 O5* G 02207 141.530 -1.115 100.282 1.00737.35 O ATOM 46312 C5* G 02207 141.756 -0.356 101.469 1.00737.35 C ATOM 46313 C4* G 02207 142.916 -0.933 102.248 1.00737.35 C ATOM 46314 O4* G 02207 142.576 -2.268 102.704 1.00737.35 O ATOM 46315 C3* G 02207 144.208 -1.122 101.465 1.00737.35 C ATOM 46316 O3* G 02207 144.965 0.084 101.425 1.00737.35 O ATOM 46317 C2* G 02207 144.913 -2.212 102.262 1.00737.35 C ATOM 46318 O2* G 02207 145.577 -1.722 103.410 1.00737.35 O ATOM 46319 C1* G 02207 143.732 -3.091 102.681 1.00737.35 C ATOM 46320 N9 G 02207 143.487 -4.209 101.771 1.00737.35 N ATOM 46321 C8 G 02207 142.638 -4.230 100.691 1.00737.35 C ATOM 46322 N7 G 02207 142.633 -5.376 100.064 1.00737.35 N ATOM 46323 C5 G 02207 143.537 -6.159 100.772 1.00737.35 C ATOM 46324 C6 G 02207 143.950 -7.499 100.562 1.00737.35 C ATOM 46325 O6 G 02207 143.590 -8.288 99.680 1.00737.35 O ATOM 46326 N1 G 02207 144.880 -7.903 101.516 1.00737.35 N ATOM 46327 C2 G 02207 145.353 -7.118 102.538 1.00737.35 C ATOM 46328 N2 G 02207 146.249 -7.689 103.356 1.00737.35 N ATOM 46329 N3 G 02207 144.975 -5.868 102.745 1.00737.35 N ATOM 46330 C4 G 02207 144.072 -5.455 101.830 1.00737.35 C ATOM 46331 P U 02208 145.818 0.447 100.111 1.00737.35 P ATOM 46332 O1P U 02208 146.531 1.720 100.386 1.00737.35 O ATOM 46333 O2P U 02208 144.921 0.350 98.930 1.00737.35 O ATOM 46334 O5* U 02208 146.895 -0.723 100.016 1.00737.35 O ATOM 46335 C5* U 02208 147.961 -0.818 100.961 1.00737.35 C ATOM 46336 C4* U 02208 148.774 -2.068 100.716 1.00737.35 C ATOM 46337 O4* U 02208 147.946 -3.239 100.952 1.00737.35 O ATOM 46338 C3* U 02208 149.295 -2.259 99.301 1.00737.35 C ATOM 46339 O3* U 02208 150.506 -1.537 99.097 1.00737.35 O ATOM 46340 C2* U 02208 149.505 -3.766 99.235 1.00737.35 C ATOM 46341 O2* U 02208 150.711 -4.185 99.842 1.00737.35 O ATOM 46342 C1* U 02208 148.312 -4.272 100.049 1.00737.35 C ATOM 46343 N1 U 02208 147.141 -4.615 99.224 1.00737.35 N ATOM 46344 C2 U 02208 147.059 -5.904 98.718 1.00737.35 C ATOM 46345 O2 U 02208 147.908 -6.759 98.929 1.00737.35 O ATOM 46346 N3 U 02208 145.947 -6.158 97.954 1.00737.35 N ATOM 46347 C4 U 02208 144.928 -5.276 97.650 1.00737.35 C ATOM 46348 O4 U 02208 143.986 -5.656 96.951 1.00737.35 O ATOM 46349 C5 U 02208 145.084 -3.969 98.205 1.00737.35 C ATOM 46350 C6 U 02208 146.156 -3.689 98.953 1.00737.35 C ATOM 46351 P G 02209 150.895 -1.031 97.622 1.00737.35 P ATOM 46352 O1P G 02209 152.075 -0.138 97.759 1.00737.35 O ATOM 46353 O2P G 02209 149.667 -0.521 96.955 1.00737.35 O ATOM 46354 O5* G 02209 151.354 -2.357 96.867 1.00737.35 O ATOM 46355 C5* G 02209 152.592 -2.989 97.188 1.00737.35 C ATOM 46356 C4* G 02209 152.803 -4.210 96.321 1.00737.35 C ATOM 46357 O4* G 02209 151.793 -5.205 96.627 1.00737.35 O ATOM 46358 C3* G 02209 152.671 -3.994 94.822 1.00737.35 C ATOM 46359 O3* G 02209 153.886 -3.493 94.268 1.00737.35 O ATOM 46360 C2* G 02209 152.351 -5.399 94.321 1.00737.35 C ATOM 46361 O2* G 02209 153.500 -6.211 94.177 1.00737.35 O ATOM 46362 C1* G 02209 151.472 -5.935 95.454 1.00737.35 C ATOM 46363 N9 G 02209 150.040 -5.806 95.197 1.00737.35 N ATOM 46364 C8 G 02209 149.203 -4.797 95.615 1.00737.35 C ATOM 46365 N7 G 02209 147.968 -4.960 95.225 1.00737.35 N ATOM 46366 C5 G 02209 147.986 -6.147 94.506 1.00737.35 C ATOM 46367 C6 G 02209 146.940 -6.837 93.839 1.00737.35 C ATOM 46368 O6 G 02209 145.745 -6.525 93.749 1.00737.35 O ATOM 46369 N1 G 02209 147.399 -8.001 93.235 1.00737.35 N ATOM 46370 C2 G 02209 148.696 -8.450 93.265 1.00737.35 C ATOM 46371 N2 G 02209 148.941 -9.600 92.616 1.00737.35 N ATOM 46372 N3 G 02209 149.681 -7.821 93.882 1.00737.35 N ATOM 46373 C4 G 02209 149.257 -6.684 94.478 1.00737.35 C ATOM 46374 P C 02210 153.850 -2.627 92.914 1.00737.35 P ATOM 46375 O1P C 02210 155.232 -2.143 92.664 1.00737.35 O ATOM 46376 O2P C 02210 152.738 -1.645 93.011 1.00737.35 O ATOM 46377 O5* C 02210 153.479 -3.690 91.787 1.00737.35 O ATOM 46378 C5* C 02210 154.417 -4.685 91.381 1.00737.35 C ATOM 46379 C4* C 02210 153.814 -5.574 90.314 1.00737.35 C ATOM 46380 O4* C 02210 152.704 -6.320 90.879 1.00737.35 O ATOM 46381 C3* C 02210 153.213 -4.855 89.117 1.00737.35 C ATOM 46382 O3* C 02210 154.214 -4.541 88.153 1.00737.35 O ATOM 46383 C2* C 02210 152.222 -5.883 88.588 1.00737.35 C ATOM 46384 O2* C 02210 152.827 -6.880 87.787 1.00737.35 O ATOM 46385 C1* C 02210 151.704 -6.508 89.888 1.00737.35 C ATOM 46386 N1 C 02210 150.438 -5.916 90.369 1.00737.35 N ATOM 46387 C2 C 02210 149.223 -6.402 89.850 1.00737.35 C ATOM 46388 O2 C 02210 149.245 -7.311 89.004 1.00737.35 O ATOM 46389 N3 C 02210 148.061 -5.864 90.287 1.00737.35 N ATOM 46390 C4 C 02210 148.076 -4.888 91.194 1.00737.35 C ATOM 46391 N4 C 02210 146.901 -4.390 91.592 1.00737.35 N ATOM 46392 C5 C 02210 149.290 -4.376 91.735 1.00737.35 C ATOM 46393 C6 C 02210 150.437 -4.912 91.299 1.00737.35 C ATOM 46394 P U 02211 154.102 -3.178 87.303 1.00737.35 P ATOM 46395 O1P U 02211 155.214 -3.180 86.318 1.00737.35 O ATOM 46396 O2P U 02211 153.963 -2.043 88.249 1.00737.35 O ATOM 46397 O5* U 02211 152.729 -3.333 86.505 1.00737.35 O ATOM 46398 C5* U 02211 152.562 -4.354 85.522 1.00737.35 C ATOM 46399 C4* U 02211 151.110 -4.461 85.115 1.00737.35 C ATOM 46400 O4* U 02211 150.316 -4.841 86.270 1.00737.35 O ATOM 46401 C3* U 02211 150.462 -3.177 84.622 1.00737.35 C ATOM 46402 O3* U 02211 150.736 -2.963 83.240 1.00737.35 O ATOM 46403 C2* U 02211 148.985 -3.442 84.881 1.00737.35 C ATOM 46404 O2* U 02211 148.380 -4.241 83.886 1.00737.35 O ATOM 46405 C1* U 02211 149.044 -4.212 86.203 1.00737.35 C ATOM 46406 N1 U 02211 148.877 -3.356 87.391 1.00737.35 N ATOM 46407 C2 U 02211 147.588 -3.135 87.857 1.00737.35 C ATOM 46408 O2 U 02211 146.596 -3.622 87.334 1.00737.35 O ATOM 46409 N3 U 02211 147.502 -2.325 88.960 1.00737.35 N ATOM 46410 C4 U 02211 148.544 -1.721 89.634 1.00737.35 C ATOM 46411 O4 U 02211 148.302 -1.016 90.615 1.00737.35 O ATOM 46412 C5 U 02211 149.840 -1.995 89.096 1.00737.35 C ATOM 46413 C6 U 02211 149.962 -2.781 88.023 1.00737.35 C ATOM 46414 P U 02212 150.606 -1.485 82.619 1.00737.35 P ATOM 46415 O1P U 02212 151.344 -1.485 81.329 1.00737.35 O ATOM 46416 O2P U 02212 150.964 -0.491 83.664 1.00737.35 O ATOM 46417 O5* U 02212 149.050 -1.334 82.308 1.00737.35 O ATOM 46418 C5* U 02212 148.455 -2.025 81.209 1.00737.35 C ATOM 46419 C4* U 02212 146.971 -1.731 81.144 1.00737.35 C ATOM 46420 O4* U 02212 146.321 -2.269 82.322 1.00737.35 O ATOM 46421 C3* U 02212 146.584 -0.261 81.138 1.00737.35 C ATOM 46422 O3* U 02212 146.661 0.285 79.825 1.00737.35 O ATOM 46423 C2* U 02212 145.154 -0.304 81.660 1.00737.35 C ATOM 46424 O2* U 02212 144.208 -0.648 80.667 1.00737.35 O ATOM 46425 C1* U 02212 145.243 -1.424 82.701 1.00737.35 C ATOM 46426 N1 U 02212 145.481 -0.940 84.071 1.00737.35 N ATOM 46427 C2 U 02212 144.376 -0.627 84.849 1.00737.35 C ATOM 46428 O2 U 02212 143.226 -0.737 84.452 1.00737.35 O ATOM 46429 N3 U 02212 144.667 -0.180 86.114 1.00737.35 N ATOM 46430 C4 U 02212 145.917 -0.013 86.673 1.00737.35 C ATOM 46431 O4 U 02212 146.014 0.399 87.828 1.00737.35 O ATOM 46432 C5 U 02212 147.007 -0.355 85.809 1.00737.35 C ATOM 46433 C6 U 02212 146.759 -0.794 84.571 1.00737.35 C ATOM 46434 P G 02213 146.823 1.875 79.629 1.00737.35 P ATOM 46435 O1P G 02213 147.112 2.112 78.191 1.00737.35 O ATOM 46436 O2P G 02213 147.763 2.386 80.658 1.00737.35 O ATOM 46437 O5* G 02213 145.372 2.450 79.950 1.00737.35 O ATOM 46438 C5* G 02213 144.278 2.213 79.065 1.00737.35 C ATOM 46439 C4* G 02213 142.981 2.676 79.692 1.00737.35 C ATOM 46440 O4* G 02213 142.707 1.886 80.877 1.00737.35 O ATOM 46441 C3* G 02213 142.953 4.114 80.187 1.00737.35 C ATOM 46442 O3* G 02213 142.669 5.018 79.125 1.00737.35 O ATOM 46443 C2* G 02213 141.833 4.072 81.220 1.00737.35 C ATOM 46444 O2* G 02213 140.542 4.148 80.646 1.00737.35 O ATOM 46445 C1* G 02213 142.043 2.689 81.842 1.00737.35 C ATOM 46446 N9 G 02213 142.849 2.715 83.059 1.00737.35 N ATOM 46447 C8 G 02213 144.221 2.739 83.151 1.00737.35 C ATOM 46448 N7 G 02213 144.652 2.764 84.382 1.00737.35 N ATOM 46449 C5 G 02213 143.498 2.756 85.153 1.00737.35 C ATOM 46450 C6 G 02213 143.332 2.775 86.563 1.00737.35 C ATOM 46451 O6 G 02213 144.205 2.801 87.442 1.00737.35 O ATOM 46452 N1 G 02213 141.989 2.759 86.920 1.00737.35 N ATOM 46453 C2 G 02213 140.936 2.729 86.037 1.00737.35 C ATOM 46454 N2 G 02213 139.710 2.720 86.579 1.00737.35 N ATOM 46455 N3 G 02213 141.076 2.713 84.723 1.00737.35 N ATOM 46456 C4 G 02213 142.375 2.727 84.352 1.00737.35 C ATOM 46457 P G 02214 143.087 6.564 79.260 1.00737.35 P ATOM 46458 O1P G 02214 142.848 7.204 77.943 1.00737.35 O ATOM 46459 O2P G 02214 144.438 6.639 79.875 1.00737.35 O ATOM 46460 O5* G 02214 142.037 7.156 80.303 1.00737.35 O ATOM 46461 C5* G 02214 140.658 7.293 79.954 1.00737.35 C ATOM 46462 C4* G 02214 139.849 7.725 81.156 1.00737.35 C ATOM 46463 O4* G 02214 139.892 6.685 82.169 1.00737.35 O ATOM 46464 C3* G 02214 140.341 8.970 81.879 1.00737.35 C ATOM 46465 O3* G 02214 139.865 10.154 81.243 1.00737.35 O ATOM 46466 C2* G 02214 139.746 8.790 83.270 1.00737.35 C ATOM 46467 O2* G 02214 138.386 9.174 83.348 1.00737.35 O ATOM 46468 C1* G 02214 139.867 7.276 83.460 1.00737.35 C ATOM 46469 N9 G 02214 141.074 6.877 84.181 1.00737.35 N ATOM 46470 C8 G 02214 142.261 6.441 83.641 1.00737.35 C ATOM 46471 N7 G 02214 143.160 6.156 84.544 1.00737.35 N ATOM 46472 C5 G 02214 142.530 6.419 85.753 1.00737.35 C ATOM 46473 C6 G 02214 143.008 6.296 87.085 1.00737.35 C ATOM 46474 O6 G 02214 144.119 5.917 87.473 1.00737.35 O ATOM 46475 N1 G 02214 142.041 6.669 88.010 1.00737.35 N ATOM 46476 C2 G 02214 140.776 7.105 87.700 1.00737.35 C ATOM 46477 N2 G 02214 139.986 7.422 88.737 1.00737.35 N ATOM 46478 N3 G 02214 140.317 7.222 86.465 1.00737.35 N ATOM 46479 C4 G 02214 141.242 6.864 85.546 1.00737.35 C ATOM 46480 P C 02215 140.640 11.544 81.469 1.00737.35 P ATOM 46481 O1P C 02215 139.987 12.557 80.601 1.00737.35 O ATOM 46482 O2P C 02215 142.100 11.300 81.336 1.00737.35 O ATOM 46483 O5* C 02215 140.332 11.914 82.987 1.00737.35 O ATOM 46484 C5* C 02215 139.017 12.287 83.399 1.00737.35 C ATOM 46485 C4* C 02215 138.998 12.606 84.877 1.00737.35 C ATOM 46486 O4* C 02215 139.282 11.405 85.639 1.00737.35 O ATOM 46487 C3* C 02215 140.040 13.603 85.354 1.00737.35 C ATOM 46488 O3* C 02215 139.606 14.944 85.145 1.00737.35 O ATOM 46489 C2* C 02215 140.156 13.269 86.836 1.00737.35 C ATOM 46490 O2* C 02215 139.133 13.849 87.618 1.00737.35 O ATOM 46491 C1* C 02215 139.996 11.745 86.820 1.00737.35 C ATOM 46492 N1 C 02215 141.279 11.015 86.832 1.00737.35 N ATOM 46493 C2 C 02215 141.908 10.762 88.065 1.00737.35 C ATOM 46494 O2 C 02215 141.367 11.159 89.113 1.00737.35 O ATOM 46495 N3 C 02215 143.085 10.096 88.084 1.00737.35 N ATOM 46496 C4 C 02215 143.637 9.685 86.940 1.00737.35 C ATOM 46497 N4 C 02215 144.801 9.032 87.009 1.00737.35 N ATOM 46498 C5 C 02215 143.025 9.927 85.677 1.00737.35 C ATOM 46499 C6 C 02215 141.860 10.587 85.668 1.00737.35 C ATOM 46500 P G 02216 140.661 16.061 84.668 1.00737.35 P ATOM 46501 O1P G 02216 139.975 17.376 84.738 1.00737.35 O ATOM 46502 O2P G 02216 141.267 15.617 83.388 1.00737.35 O ATOM 46503 O5* G 02216 141.792 16.025 85.792 1.00737.35 O ATOM 46504 C5* G 02216 141.500 16.393 87.139 1.00737.35 C ATOM 46505 C4* G 02216 142.655 16.033 88.044 1.00737.35 C ATOM 46506 O4* G 02216 142.828 14.590 88.059 1.00737.35 O ATOM 46507 C3* G 02216 144.015 16.566 87.619 1.00737.35 C ATOM 46508 O3* G 02216 144.209 17.906 88.055 1.00737.35 O ATOM 46509 C2* G 02216 144.964 15.601 88.319 1.00737.35 C ATOM 46510 O2* G 02216 145.153 15.904 89.688 1.00737.35 O ATOM 46511 C1* G 02216 144.208 14.279 88.180 1.00737.35 C ATOM 46512 N9 G 02216 144.618 13.508 87.009 1.00737.35 N ATOM 46513 C8 G 02216 144.071 13.551 85.748 1.00737.35 C ATOM 46514 N7 G 02216 144.659 12.748 84.905 1.00737.35 N ATOM 46515 C5 G 02216 145.655 12.134 85.649 1.00737.35 C ATOM 46516 C6 G 02216 146.620 11.164 85.274 1.00737.35 C ATOM 46517 O6 G 02216 146.791 10.636 84.168 1.00737.35 O ATOM 46518 N1 G 02216 147.437 10.813 86.344 1.00737.35 N ATOM 46519 C2 G 02216 147.343 11.330 87.612 1.00737.35 C ATOM 46520 N2 G 02216 148.226 10.866 88.506 1.00737.35 N ATOM 46521 N3 G 02216 146.448 12.235 87.977 1.00737.35 N ATOM 46522 C4 G 02216 145.644 12.590 86.952 1.00737.35 C ATOM 46523 P G 02217 144.677 19.025 87.001 1.00737.35 P ATOM 46524 O1P G 02217 143.454 19.542 86.337 1.00737.35 O ATOM 46525 O2P G 02217 145.778 18.464 86.171 1.00737.35 O ATOM 46526 O5* G 02217 145.276 20.189 87.904 1.00737.35 O ATOM 46527 C5* G 02217 146.418 19.964 88.730 1.00737.35 C ATOM 46528 C4* G 02217 147.339 21.163 88.682 1.00737.35 C ATOM 46529 O4* G 02217 147.832 21.329 87.327 1.00737.35 O ATOM 46530 C3* G 02217 146.693 22.495 89.029 1.00737.35 C ATOM 46531 O3* G 02217 146.708 22.699 90.438 1.00737.35 O ATOM 46532 C2* G 02217 147.583 23.493 88.296 1.00737.35 C ATOM 46533 O2* G 02217 148.760 23.813 89.012 1.00737.35 O ATOM 46534 C1* G 02217 147.949 22.708 87.032 1.00737.35 C ATOM 46535 N9 G 02217 147.157 22.986 85.832 1.00737.35 N ATOM 46536 C8 G 02217 147.579 22.837 84.534 1.00737.35 C ATOM 46537 N7 G 02217 146.671 23.160 83.656 1.00737.35 N ATOM 46538 C5 G 02217 145.577 23.548 84.418 1.00737.35 C ATOM 46539 C6 G 02217 144.294 24.002 84.017 1.00737.35 C ATOM 46540 O6 G 02217 143.856 24.159 82.869 1.00737.35 O ATOM 46541 N1 G 02217 143.486 24.287 85.111 1.00737.35 N ATOM 46542 C2 G 02217 143.860 24.152 86.424 1.00737.35 C ATOM 46543 N2 G 02217 142.935 24.475 87.340 1.00737.35 N ATOM 46544 N3 G 02217 145.053 23.732 86.815 1.00737.35 N ATOM 46545 C4 G 02217 145.856 23.449 85.766 1.00737.35 C ATOM 46546 P G 02218 145.355 23.107 91.206 1.00737.35 P ATOM 46547 O1P G 02218 144.199 22.692 90.368 1.00737.35 O ATOM 46548 O2P G 02218 145.481 24.526 91.629 1.00737.35 O ATOM 46549 O5* G 02218 145.369 22.175 92.500 1.00737.35 O ATOM 46550 C5* G 02218 145.416 22.729 93.815 1.00737.35 C ATOM 46551 C4* G 02218 146.337 21.913 94.693 1.00737.35 C ATOM 46552 O4* G 02218 145.846 20.546 94.758 1.00737.35 O ATOM 46553 C3* G 02218 147.766 21.773 94.192 1.00737.35 C ATOM 46554 O3* G 02218 148.567 22.883 94.582 1.00737.35 O ATOM 46555 C2* G 02218 148.217 20.484 94.867 1.00737.35 C ATOM 46556 O2* G 02218 148.589 20.664 96.219 1.00737.35 O ATOM 46557 C1* G 02218 146.943 19.643 94.782 1.00737.35 C ATOM 46558 N9 G 02218 146.884 18.806 93.584 1.00737.35 N ATOM 46559 C8 G 02218 145.923 18.826 92.600 1.00737.35 C ATOM 46560 N7 G 02218 146.148 17.962 91.647 1.00737.35 N ATOM 46561 C5 G 02218 147.326 17.330 92.022 1.00737.35 C ATOM 46562 C6 G 02218 148.063 16.300 91.380 1.00737.35 C ATOM 46563 O6 G 02218 147.815 15.723 90.314 1.00737.35 O ATOM 46564 N1 G 02218 149.196 15.956 92.106 1.00737.35 N ATOM 46565 C2 G 02218 149.578 16.524 93.296 1.00737.35 C ATOM 46566 N2 G 02218 150.708 16.054 93.843 1.00737.35 N ATOM 46567 N3 G 02218 148.900 17.483 93.906 1.00737.35 N ATOM 46568 C4 G 02218 147.792 17.836 93.218 1.00737.35 C ATOM 46569 P U 02219 149.760 23.378 93.621 1.00737.35 P ATOM 46570 O1P U 02219 150.482 24.462 94.339 1.00737.35 O ATOM 46571 O2P U 02219 149.198 23.641 92.272 1.00737.35 O ATOM 46572 O5* U 02219 150.726 22.113 93.519 1.00737.35 O ATOM 46573 C5* U 02219 151.527 21.705 94.628 1.00737.35 C ATOM 46574 C4* U 02219 152.522 20.651 94.199 1.00737.35 C ATOM 46575 O4* U 02219 151.818 19.444 93.806 1.00737.35 O ATOM 46576 C3* U 02219 153.376 21.001 92.988 1.00737.35 C ATOM 46577 O3* U 02219 154.505 21.783 93.362 1.00737.35 O ATOM 46578 C2* U 02219 153.777 19.626 92.468 1.00737.35 C ATOM 46579 O2* U 02219 154.858 19.056 93.179 1.00737.35 O ATOM 46580 C1* U 02219 152.503 18.817 92.732 1.00737.35 C ATOM 46581 N1 U 02219 151.598 18.737 91.572 1.00737.35 N ATOM 46582 C2 U 02219 151.908 17.834 90.561 1.00737.35 C ATOM 46583 O2 U 02219 152.893 17.115 90.587 1.00737.35 O ATOM 46584 N3 U 02219 151.018 17.810 89.517 1.00737.35 N ATOM 46585 C4 U 02219 149.875 18.574 89.378 1.00737.35 C ATOM 46586 O4 U 02219 149.156 18.415 88.392 1.00737.35 O ATOM 46587 C5 U 02219 149.630 19.481 90.455 1.00737.35 C ATOM 46588 C6 U 02219 150.474 19.531 91.486 1.00737.35 C ATOM 46589 P A 02220 155.217 22.729 92.273 1.00737.35 P ATOM 46590 O1P A 02220 156.277 23.494 92.979 1.00737.35 O ATOM 46591 O2P A 02220 154.166 23.457 91.518 1.00737.35 O ATOM 46592 O5* A 02220 155.925 21.703 91.279 1.00737.35 O ATOM 46593 C5* A 02220 156.953 20.828 91.738 1.00737.35 C ATOM 46594 C4* A 02220 157.514 20.024 90.590 1.00737.35 C ATOM 46595 O4* A 02220 156.473 19.171 90.039 1.00737.35 O ATOM 46596 C3* A 02220 158.009 20.826 89.396 1.00737.35 C ATOM 46597 O3* A 02220 159.336 21.293 89.610 1.00737.35 O ATOM 46598 C2* A 02220 157.934 19.802 88.268 1.00737.35 C ATOM 46599 O2* A 02220 159.038 18.920 88.242 1.00737.35 O ATOM 46600 C1* A 02220 156.663 19.031 88.640 1.00737.35 C ATOM 46601 N9 A 02220 155.464 19.518 87.952 1.00737.35 N ATOM 46602 C8 A 02220 154.534 20.423 88.404 1.00737.35 C ATOM 46603 N7 A 02220 153.564 20.654 87.550 1.00737.35 N ATOM 46604 C5 A 02220 153.877 19.848 86.465 1.00737.35 C ATOM 46605 C6 A 02220 153.237 19.634 85.228 1.00737.35 C ATOM 46606 N6 A 02220 152.105 20.240 84.865 1.00737.35 N ATOM 46607 N1 A 02220 153.812 18.764 84.369 1.00737.35 N ATOM 46608 C2 A 02220 154.944 18.154 84.733 1.00737.35 C ATOM 46609 N3 A 02220 155.636 18.270 85.865 1.00737.35 N ATOM 46610 C4 A 02220 155.043 19.142 86.698 1.00737.35 C ATOM 46611 P G 02221 159.869 22.576 88.800 1.00737.35 P ATOM 46612 O1P G 02221 161.189 22.944 89.375 1.00737.35 O ATOM 46613 O2P G 02221 158.786 23.589 88.743 1.00737.35 O ATOM 46614 O5* G 02221 160.109 22.022 87.322 1.00737.35 O ATOM 46615 C5* G 02221 161.120 21.049 87.061 1.00737.35 C ATOM 46616 C4* G 02221 161.006 20.539 85.643 1.00737.35 C ATOM 46617 O4* G 02221 159.733 19.858 85.478 1.00737.35 O ATOM 46618 C3* G 02221 161.004 21.601 84.555 1.00737.35 C ATOM 46619 O3* G 02221 162.329 21.987 84.206 1.00737.35 O ATOM 46620 C2* G 02221 160.303 20.883 83.407 1.00737.35 C ATOM 46621 O2* G 02221 161.158 20.009 82.698 1.00737.35 O ATOM 46622 C1* G 02221 159.247 20.071 84.161 1.00737.35 C ATOM 46623 N9 G 02221 157.951 20.742 84.242 1.00737.35 N ATOM 46624 C8 G 02221 157.451 21.466 85.300 1.00737.35 C ATOM 46625 N7 G 02221 156.259 21.948 85.075 1.00737.35 N ATOM 46626 C5 G 02221 155.953 21.519 83.792 1.00737.35 C ATOM 46627 C6 G 02221 154.792 21.734 83.005 1.00737.35 C ATOM 46628 O6 G 02221 153.767 22.365 83.297 1.00737.35 O ATOM 46629 N1 G 02221 154.897 21.123 81.759 1.00737.35 N ATOM 46630 C2 G 02221 155.977 20.398 81.324 1.00737.35 C ATOM 46631 N2 G 02221 155.889 19.887 80.087 1.00737.35 N ATOM 46632 N3 G 02221 157.066 20.189 82.048 1.00737.35 N ATOM 46633 C4 G 02221 156.985 20.775 83.261 1.00737.35 C ATOM 46634 P U 02222 162.609 23.476 83.669 1.00737.35 P ATOM 46635 O1P U 02222 164.028 23.533 83.234 1.00737.35 O ATOM 46636 O2P U 02222 162.112 24.443 84.684 1.00737.35 O ATOM 46637 O5* U 02222 161.691 23.591 82.371 1.00737.35 O ATOM 46638 C5* U 02222 161.418 24.856 81.771 1.00737.35 C ATOM 46639 C4* U 02222 160.616 24.669 80.507 1.00737.35 C ATOM 46640 O4* U 02222 159.416 23.905 80.805 1.00737.35 O ATOM 46641 C3* U 02222 160.103 25.945 79.857 1.00737.35 C ATOM 46642 O3* U 02222 161.098 26.522 79.016 1.00737.35 O ATOM 46643 C2* U 02222 158.899 25.445 79.070 1.00737.35 C ATOM 46644 O2* U 02222 159.256 24.851 77.836 1.00737.35 O ATOM 46645 C1* U 02222 158.338 24.375 80.012 1.00737.35 C ATOM 46646 N1 U 02222 157.272 24.862 80.906 1.00737.35 N ATOM 46647 C2 U 02222 155.979 24.926 80.401 1.00737.35 C ATOM 46648 O2 U 02222 155.694 24.610 79.256 1.00737.35 O ATOM 46649 N3 U 02222 155.032 25.378 81.290 1.00737.35 N ATOM 46650 C4 U 02222 155.239 25.764 82.601 1.00737.35 C ATOM 46651 O4 U 02222 154.283 26.139 83.283 1.00737.35 O ATOM 46652 C5 U 02222 156.597 25.677 83.043 1.00737.35 C ATOM 46653 C6 U 02222 157.541 25.241 82.205 1.00737.35 C ATOM 46654 P U 02223 160.983 28.068 78.583 1.00737.35 P ATOM 46655 O1P U 02223 162.311 28.471 78.050 1.00737.35 O ATOM 46656 O2P U 02223 160.380 28.836 79.702 1.00737.35 O ATOM 46657 O5* U 02223 159.947 28.053 77.372 1.00737.35 O ATOM 46658 C5* U 02223 160.253 27.373 76.154 1.00737.35 C ATOM 46659 C4* U 02223 159.015 27.240 75.297 1.00737.35 C ATOM 46660 O4* U 02223 158.018 26.466 76.013 1.00737.35 O ATOM 46661 C3* U 02223 158.302 28.539 74.948 1.00737.35 C ATOM 46662 O3* U 02223 158.892 29.153 73.805 1.00737.35 O ATOM 46663 C2* U 02223 156.884 28.057 74.659 1.00737.35 C ATOM 46664 O2* U 02223 156.735 27.518 73.361 1.00737.35 O ATOM 46665 C1* U 02223 156.721 26.949 75.702 1.00737.35 C ATOM 46666 N1 U 02223 156.072 27.402 76.943 1.00737.35 N ATOM 46667 C2 U 02223 154.687 27.337 77.013 1.00737.35 C ATOM 46668 O2 U 02223 153.990 26.924 76.101 1.00737.35 O ATOM 46669 N3 U 02223 154.147 27.778 78.197 1.00737.35 N ATOM 46670 C4 U 02223 154.826 28.266 79.294 1.00737.35 C ATOM 46671 O4 U 02223 154.195 28.625 80.289 1.00737.35 O ATOM 46672 C5 U 02223 156.249 28.300 79.147 1.00737.35 C ATOM 46673 C6 U 02223 156.809 27.881 78.009 1.00737.35 C ATOM 46674 P U 02224 158.890 30.757 73.670 1.00737.35 P ATOM 46675 O1P U 02224 159.503 31.088 72.358 1.00737.35 O ATOM 46676 O2P U 02224 159.465 31.333 74.913 1.00737.35 O ATOM 46677 O5* U 02224 157.345 31.144 73.609 1.00737.35 O ATOM 46678 C5* U 02224 156.509 30.668 72.557 1.00737.35 C ATOM 46679 C4* U 02224 155.053 30.821 72.932 1.00737.35 C ATOM 46680 O4* U 02224 154.791 30.056 74.137 1.00737.35 O ATOM 46681 C3* U 02224 154.599 32.231 73.279 1.00737.35 C ATOM 46682 O3* U 02224 154.240 32.960 72.108 1.00737.35 O ATOM 46683 C2* U 02224 153.387 31.972 74.165 1.00737.35 C ATOM 46684 O2* U 02224 152.225 31.656 73.427 1.00737.35 O ATOM 46685 C1* U 02224 153.848 30.739 74.948 1.00737.35 C ATOM 46686 N1 U 02224 154.483 31.069 76.238 1.00737.35 N ATOM 46687 C2 U 02224 153.657 31.245 77.341 1.00737.35 C ATOM 46688 O2 U 02224 152.442 31.135 77.290 1.00737.35 O ATOM 46689 N3 U 02224 154.309 31.555 78.507 1.00737.35 N ATOM 46690 C4 U 02224 155.668 31.704 78.687 1.00737.35 C ATOM 46691 O4 U 02224 156.104 31.987 79.805 1.00737.35 O ATOM 46692 C5 U 02224 156.453 31.507 77.507 1.00737.35 C ATOM 46693 C6 U 02224 155.851 31.203 76.352 1.00737.35 C ATOM 46694 P G 02225 154.358 34.564 72.095 1.00737.35 P ATOM 46695 O1P G 02225 154.669 35.031 73.472 1.00737.35 O ATOM 46696 O2P G 02225 153.164 35.101 71.394 1.00737.35 O ATOM 46697 O5* G 02225 155.632 34.847 71.180 1.00737.35 O ATOM 46698 C5* G 02225 156.932 34.415 71.570 1.00737.35 C ATOM 46699 C4* G 02225 157.835 34.326 70.362 1.00737.35 C ATOM 46700 O4* G 02225 157.329 33.304 69.463 1.00737.35 O ATOM 46701 C3* G 02225 157.911 35.586 69.512 1.00737.35 C ATOM 46702 O3* G 02225 158.894 36.484 70.020 1.00737.35 O ATOM 46703 C2* G 02225 158.279 35.033 68.143 1.00737.35 C ATOM 46704 O2* G 02225 159.659 34.743 68.015 1.00737.35 O ATOM 46705 C1* G 02225 157.475 33.731 68.118 1.00737.35 C ATOM 46706 N9 G 02225 156.141 33.872 67.534 1.00737.35 N ATOM 46707 C8 G 02225 154.936 33.759 68.186 1.00737.35 C ATOM 46708 N7 G 02225 153.909 33.932 67.402 1.00737.35 N ATOM 46709 C5 G 02225 154.466 34.171 66.151 1.00737.35 C ATOM 46710 C6 G 02225 153.845 34.429 64.905 1.00737.35 C ATOM 46711 O6 G 02225 152.638 34.497 64.645 1.00737.35 O ATOM 46712 N1 G 02225 154.784 34.618 63.895 1.00737.35 N ATOM 46713 C2 G 02225 156.146 34.567 64.062 1.00737.35 C ATOM 46714 N2 G 02225 156.885 34.779 62.965 1.00737.35 N ATOM 46715 N3 G 02225 156.738 34.325 65.221 1.00737.35 N ATOM 46716 C4 G 02225 155.844 34.139 66.216 1.00737.35 C ATOM 46717 P A 02226 158.776 38.058 69.714 1.00737.35 P ATOM 46718 O1P A 02226 159.830 38.740 70.509 1.00737.35 O ATOM 46719 O2P A 02226 157.357 38.470 69.873 1.00737.35 O ATOM 46720 O5* A 02226 159.162 38.181 68.173 1.00737.35 O ATOM 46721 C5* A 02226 160.417 37.703 67.693 1.00737.35 C ATOM 46722 C4* A 02226 160.485 37.818 66.189 1.00737.35 C ATOM 46723 O4* A 02226 159.423 37.024 65.594 1.00737.35 O ATOM 46724 C3* A 02226 160.277 39.210 65.616 1.00737.35 C ATOM 46725 O3* A 02226 161.494 39.950 65.629 1.00737.35 O ATOM 46726 C2* A 02226 159.816 38.906 64.196 1.00737.35 C ATOM 46727 O2* A 02226 160.882 38.601 63.316 1.00737.35 O ATOM 46728 C1* A 02226 158.955 37.659 64.416 1.00737.35 C ATOM 46729 N9 A 02226 157.529 37.949 64.576 1.00737.35 N ATOM 46730 C8 A 02226 156.765 37.859 65.716 1.00737.35 C ATOM 46731 N7 A 02226 155.510 38.191 65.540 1.00737.35 N ATOM 46732 C5 A 02226 155.439 38.523 64.193 1.00737.35 C ATOM 46733 C6 A 02226 154.375 38.959 63.383 1.00737.35 C ATOM 46734 N6 A 02226 153.131 39.140 63.830 1.00737.35 N ATOM 46735 N1 A 02226 154.640 39.206 62.080 1.00737.35 N ATOM 46736 C2 A 02226 155.889 39.022 61.634 1.00737.35 C ATOM 46737 N3 A 02226 156.969 38.614 62.297 1.00737.35 N ATOM 46738 C4 A 02226 156.674 38.378 63.588 1.00737.35 C ATOM 46739 P C 02227 161.452 41.556 65.691 1.00737.35 P ATOM 46740 O1P C 02227 162.855 42.034 65.789 1.00737.35 O ATOM 46741 O2P C 02227 160.467 41.957 66.729 1.00737.35 O ATOM 46742 O5* C 02227 160.878 41.980 64.267 1.00737.35 O ATOM 46743 C5* C 02227 161.575 41.646 63.067 1.00737.35 C ATOM 46744 C4* C 02227 160.700 41.906 61.862 1.00737.35 C ATOM 46745 O4* C 02227 159.513 41.072 61.943 1.00737.35 O ATOM 46746 C3* C 02227 160.152 43.320 61.735 1.00737.35 C ATOM 46747 O3* C 02227 161.083 44.187 61.094 1.00737.35 O ATOM 46748 C2* C 02227 158.914 43.110 60.874 1.00737.35 C ATOM 46749 O2* C 02227 159.208 42.994 59.495 1.00737.35 O ATOM 46750 C1* C 02227 158.399 41.773 61.408 1.00737.35 C ATOM 46751 N1 C 02227 157.369 41.916 62.461 1.00737.35 N ATOM 46752 C2 C 02227 156.074 42.325 62.094 1.00737.35 C ATOM 46753 O2 C 02227 155.830 42.572 60.898 1.00737.35 O ATOM 46754 N3 C 02227 155.124 42.444 63.050 1.00737.35 N ATOM 46755 C4 C 02227 155.421 42.181 64.323 1.00737.35 C ATOM 46756 N4 C 02227 154.446 42.310 65.229 1.00737.35 N ATOM 46757 C5 C 02227 156.727 41.772 64.726 1.00737.35 C ATOM 46758 C6 C 02227 157.661 41.654 63.774 1.00737.35 C ATOM 46759 P U 02228 161.387 45.640 61.715 1.00737.35 P ATOM 46760 O1P U 02228 161.658 46.558 60.580 1.00737.35 O ATOM 46761 O2P U 02228 162.403 45.479 62.787 1.00737.35 O ATOM 46762 O5* U 02228 160.014 46.083 62.398 1.00737.35 O ATOM 46763 C5* U 02228 158.820 46.238 61.628 1.00737.35 C ATOM 46764 C4* U 02228 157.651 46.539 62.539 1.00737.35 C ATOM 46765 O4* U 02228 157.468 45.435 63.463 1.00737.35 O ATOM 46766 C3* U 02228 157.834 47.754 63.436 1.00737.35 C ATOM 46767 O3* U 02228 157.462 48.942 62.746 1.00737.35 O ATOM 46768 C2* U 02228 156.896 47.447 64.596 1.00737.35 C ATOM 46769 O2* U 02228 155.547 47.770 64.327 1.00737.35 O ATOM 46770 C1* U 02228 157.054 45.930 64.725 1.00737.35 C ATOM 46771 N1 U 02228 158.042 45.527 65.739 1.00737.35 N ATOM 46772 C2 U 02228 157.583 45.256 67.019 1.00737.35 C ATOM 46773 O2 U 02228 156.404 45.330 67.336 1.00737.35 O ATOM 46774 N3 U 02228 158.553 44.893 67.918 1.00737.35 N ATOM 46775 C4 U 02228 159.908 44.776 67.680 1.00737.35 C ATOM 46776 O4 U 02228 160.657 44.440 68.599 1.00737.35 O ATOM 46777 C5 U 02228 160.304 45.069 66.339 1.00737.35 C ATOM 46778 C6 U 02228 159.383 45.426 65.437 1.00737.35 C ATOM 46779 P G 02229 158.581 49.803 61.980 1.00737.35 P ATOM 46780 O1P G 02229 158.799 49.166 60.659 1.00737.35 O ATOM 46781 O2P G 02229 159.735 50.000 62.897 1.00737.35 O ATOM 46782 O5* G 02229 157.889 51.216 61.733 1.00737.35 O ATOM 46783 C5* G 02229 157.629 52.107 62.814 1.00737.35 C ATOM 46784 C4* G 02229 158.836 52.980 63.059 1.00737.35 C ATOM 46785 O4* G 02229 159.232 53.608 61.817 1.00737.35 O ATOM 46786 C3* G 02229 158.642 54.136 64.026 1.00737.35 C ATOM 46787 O3* G 02229 158.808 53.694 65.372 1.00737.35 O ATOM 46788 C2* G 02229 159.748 55.095 63.601 1.00737.35 C ATOM 46789 O2* G 02229 161.010 54.754 64.136 1.00737.35 O ATOM 46790 C1* G 02229 159.763 54.895 62.082 1.00737.35 C ATOM 46791 N9 G 02229 158.991 55.871 61.313 1.00737.35 N ATOM 46792 C8 G 02229 157.885 56.579 61.723 1.00737.35 C ATOM 46793 N7 G 02229 157.416 57.378 60.804 1.00737.35 N ATOM 46794 C5 G 02229 158.263 57.188 59.720 1.00737.35 C ATOM 46795 C6 G 02229 158.252 57.782 58.432 1.00737.35 C ATOM 46796 O6 G 02229 157.470 58.626 57.977 1.00737.35 O ATOM 46797 N1 G 02229 159.289 57.301 57.637 1.00737.35 N ATOM 46798 C2 G 02229 160.216 56.369 58.030 1.00737.35 C ATOM 46799 N2 G 02229 161.137 56.029 57.118 1.00737.35 N ATOM 46800 N3 G 02229 160.239 55.809 59.228 1.00737.35 N ATOM 46801 C4 G 02229 159.240 56.263 60.017 1.00737.35 C ATOM 46802 P G 02230 158.074 54.480 66.566 1.00737.35 P ATOM 46803 O1P G 02230 156.615 54.450 66.294 1.00737.35 O ATOM 46804 O2P G 02230 158.759 55.784 66.758 1.00737.35 O ATOM 46805 O5* G 02230 158.352 53.575 67.851 1.00737.35 O ATOM 46806 C5* G 02230 159.662 53.094 68.142 1.00737.35 C ATOM 46807 C4* G 02230 159.680 52.395 69.484 1.00737.35 C ATOM 46808 O4* G 02230 159.355 53.353 70.527 1.00737.35 O ATOM 46809 C3* G 02230 158.666 51.277 69.666 1.00737.35 C ATOM 46810 O3* G 02230 159.168 50.048 69.150 1.00737.35 O ATOM 46811 C2* G 02230 158.503 51.230 71.181 1.00737.35 C ATOM 46812 O2* G 02230 159.535 50.508 71.829 1.00737.35 O ATOM 46813 C1* G 02230 158.606 52.712 71.546 1.00737.35 C ATOM 46814 N9 G 02230 157.312 53.382 71.658 1.00737.35 N ATOM 46815 C8 G 02230 156.622 54.034 70.664 1.00737.35 C ATOM 46816 N7 G 02230 155.491 54.543 71.072 1.00737.35 N ATOM 46817 C5 G 02230 155.426 54.203 72.416 1.00737.35 C ATOM 46818 C6 G 02230 154.428 54.479 73.386 1.00737.35 C ATOM 46819 O6 G 02230 153.369 55.102 73.249 1.00737.35 O ATOM 46820 N1 G 02230 154.761 53.947 74.628 1.00737.35 N ATOM 46821 C2 G 02230 155.904 53.240 74.903 1.00737.35 C ATOM 46822 N2 G 02230 156.044 52.807 76.163 1.00737.35 N ATOM 46823 N3 G 02230 156.842 52.975 74.008 1.00737.35 N ATOM 46824 C4 G 02230 156.539 53.483 72.794 1.00737.35 C ATOM 46825 P G 02231 158.143 48.915 68.644 1.00737.35 P ATOM 46826 O1P G 02231 158.959 47.786 68.131 1.00737.35 O ATOM 46827 O2P G 02231 157.136 49.553 67.757 1.00737.35 O ATOM 46828 O5* G 02231 157.404 48.440 69.975 1.00737.35 O ATOM 46829 C5* G 02231 158.111 47.738 70.995 1.00737.35 C ATOM 46830 C4* G 02231 157.239 47.569 72.220 1.00737.35 C ATOM 46831 O4* G 02231 156.913 48.877 72.762 1.00737.35 O ATOM 46832 C3* G 02231 155.887 46.911 71.987 1.00737.35 C ATOM 46833 O3* G 02231 155.995 45.491 71.997 1.00737.35 O ATOM 46834 C2* G 02231 155.072 47.427 73.165 1.00737.35 C ATOM 46835 O2* G 02231 155.311 46.718 74.363 1.00737.35 O ATOM 46836 C1* G 02231 155.598 48.859 73.295 1.00737.35 C ATOM 46837 N9 G 02231 154.791 49.839 72.574 1.00737.35 N ATOM 46838 C8 G 02231 154.938 50.239 71.266 1.00737.35 C ATOM 46839 N7 G 02231 154.058 51.131 70.900 1.00737.35 N ATOM 46840 C5 G 02231 153.283 51.335 72.034 1.00737.35 C ATOM 46841 C6 G 02231 152.170 52.192 72.245 1.00737.35 C ATOM 46842 O6 G 02231 151.632 52.967 71.446 1.00737.35 O ATOM 46843 N1 G 02231 151.684 52.087 73.544 1.00737.35 N ATOM 46844 C2 G 02231 152.200 51.266 74.516 1.00737.35 C ATOM 46845 N2 G 02231 151.589 51.309 75.709 1.00737.35 N ATOM 46846 N3 G 02231 153.233 50.461 74.334 1.00737.35 N ATOM 46847 C4 G 02231 153.723 50.548 73.078 1.00737.35 C ATOM 46848 P G 02232 155.002 44.607 71.093 1.00737.35 P ATOM 46849 O1P G 02232 155.376 43.183 71.287 1.00737.35 O ATOM 46850 O2P G 02232 154.982 45.180 69.722 1.00737.35 O ATOM 46851 O5* G 02232 153.567 44.846 71.748 1.00737.35 O ATOM 46852 C5* G 02232 153.218 44.243 72.993 1.00737.35 C ATOM 46853 C4* G 02232 151.802 44.607 73.376 1.00737.35 C ATOM 46854 O4* G 02232 151.717 46.040 73.608 1.00737.35 O ATOM 46855 C3* G 02232 150.741 44.334 72.321 1.00737.35 C ATOM 46856 O3* G 02232 150.298 42.981 72.376 1.00737.35 O ATOM 46857 C2* G 02232 149.637 45.311 72.713 1.00737.35 C ATOM 46858 O2* G 02232 148.827 44.839 73.771 1.00737.35 O ATOM 46859 C1* G 02232 150.453 46.517 73.182 1.00737.35 C ATOM 46860 N9 G 02232 150.663 47.520 72.139 1.00737.35 N ATOM 46861 C8 G 02232 151.703 47.584 71.243 1.00737.35 C ATOM 46862 N7 G 02232 151.616 48.597 70.427 1.00737.35 N ATOM 46863 C5 G 02232 150.448 49.245 70.804 1.00737.35 C ATOM 46864 C6 G 02232 149.833 50.411 70.281 1.00737.35 C ATOM 46865 O6 G 02232 150.211 51.129 69.346 1.00737.35 O ATOM 46866 N1 G 02232 148.659 50.719 70.960 1.00737.35 N ATOM 46867 C2 G 02232 148.142 50.000 72.009 1.00737.35 C ATOM 46868 N2 G 02232 146.996 50.459 72.533 1.00737.35 N ATOM 46869 N3 G 02232 148.705 48.912 72.507 1.00737.35 N ATOM 46870 C4 G 02232 149.847 48.594 71.860 1.00737.35 C ATOM 46871 P C 02233 149.934 42.205 71.015 1.00737.35 P ATOM 46872 O1P C 02233 149.516 40.830 71.392 1.00737.35 O ATOM 46873 O2P C 02233 151.049 42.395 70.053 1.00737.35 O ATOM 46874 O5* C 02233 148.658 42.981 70.458 1.00737.35 O ATOM 46875 C5* C 02233 147.393 42.877 71.106 1.00737.35 C ATOM 46876 C4* C 02233 146.384 43.791 70.447 1.00737.35 C ATOM 46877 O4* C 02233 146.808 45.170 70.608 1.00737.35 O ATOM 46878 C3* C 02233 146.220 43.621 68.945 1.00737.35 C ATOM 46879 O3* C 02233 145.310 42.569 68.642 1.00737.35 O ATOM 46880 C2* C 02233 145.679 44.983 68.524 1.00737.35 C ATOM 46881 O2* C 02233 144.290 45.121 68.748 1.00737.35 O ATOM 46882 C1* C 02233 146.452 45.918 69.456 1.00737.35 C ATOM 46883 N1 C 02233 147.682 46.472 68.851 1.00737.35 N ATOM 46884 C2 C 02233 147.603 47.676 68.133 1.00737.35 C ATOM 46885 O2 C 02233 146.506 48.251 68.027 1.00737.35 O ATOM 46886 N3 C 02233 148.725 48.184 67.571 1.00737.35 N ATOM 46887 C4 C 02233 149.889 47.542 67.703 1.00737.35 C ATOM 46888 N4 C 02233 150.968 48.080 67.133 1.00737.35 N ATOM 46889 C5 C 02233 149.997 46.318 68.428 1.00737.35 C ATOM 46890 C6 C 02233 148.882 45.823 68.979 1.00737.35 C ATOM 46891 P G 02234 145.519 41.693 67.310 1.00737.35 P ATOM 46892 O1P G 02234 144.444 40.667 67.260 1.00737.35 O ATOM 46893 O2P G 02234 146.941 41.265 67.270 1.00737.35 O ATOM 46894 O5* G 02234 145.281 42.729 66.123 1.00737.35 O ATOM 46895 C5* G 02234 143.987 43.272 65.870 1.00737.35 C ATOM 46896 C4* G 02234 144.042 44.261 64.728 1.00737.35 C ATOM 46897 O4* G 02234 144.882 45.385 65.104 1.00737.35 O ATOM 46898 C3* G 02234 144.658 43.749 63.433 1.00737.35 C ATOM 46899 O3* G 02234 143.698 43.050 62.649 1.00737.35 O ATOM 46900 C2* G 02234 145.107 45.041 62.760 1.00737.35 C ATOM 46901 O2* G 02234 144.058 45.708 62.085 1.00737.35 O ATOM 46902 C1* G 02234 145.564 45.873 63.960 1.00737.35 C ATOM 46903 N9 G 02234 147.003 45.801 64.209 1.00737.35 N ATOM 46904 C8 G 02234 147.654 45.002 65.118 1.00737.35 C ATOM 46905 N7 G 02234 148.950 45.161 65.107 1.00737.35 N ATOM 46906 C5 G 02234 149.170 46.124 64.130 1.00737.35 C ATOM 46907 C6 G 02234 150.379 46.705 63.666 1.00737.35 C ATOM 46908 O6 G 02234 151.538 46.478 64.038 1.00737.35 O ATOM 46909 N1 G 02234 150.146 47.640 62.662 1.00737.35 N ATOM 46910 C2 G 02234 148.910 47.976 62.167 1.00737.35 C ATOM 46911 N2 G 02234 148.891 48.900 61.198 1.00737.35 N ATOM 46912 N3 G 02234 147.776 47.443 62.592 1.00737.35 N ATOM 46913 C4 G 02234 147.978 46.532 63.568 1.00737.35 C ATOM 46914 P G 02235 144.151 41.774 61.781 1.00737.35 P ATOM 46915 O1P G 02235 142.970 41.293 61.019 1.00737.35 O ATOM 46916 O2P G 02235 144.864 40.842 62.692 1.00737.35 O ATOM 46917 O5* G 02235 145.212 42.363 60.750 1.00737.35 O ATOM 46918 C5* G 02235 144.818 43.273 59.722 1.00737.35 C ATOM 46919 C4* G 02235 146.036 43.893 59.076 1.00737.35 C ATOM 46920 O4* G 02235 146.764 44.659 60.071 1.00737.35 O ATOM 46921 C3* G 02235 147.056 42.910 58.518 1.00737.35 C ATOM 46922 O3* G 02235 146.714 42.530 57.187 1.00737.35 O ATOM 46923 C2* G 02235 148.347 43.720 58.566 1.00737.35 C ATOM 46924 O2* G 02235 148.488 44.609 57.478 1.00737.35 O ATOM 46925 C1* G 02235 148.160 44.515 59.862 1.00737.35 C ATOM 46926 N9 G 02235 148.739 43.881 61.045 1.00737.35 N ATOM 46927 C8 G 02235 148.061 43.316 62.100 1.00737.35 C ATOM 46928 N7 G 02235 148.849 42.840 63.023 1.00737.35 N ATOM 46929 C5 G 02235 150.128 43.103 62.551 1.00737.35 C ATOM 46930 C6 G 02235 151.394 42.818 63.126 1.00737.35 C ATOM 46931 O6 G 02235 151.647 42.266 64.207 1.00737.35 O ATOM 46932 N1 G 02235 152.433 43.251 62.310 1.00737.35 N ATOM 46933 C2 G 02235 152.279 43.878 61.097 1.00737.35 C ATOM 46934 N2 G 02235 153.410 44.214 60.456 1.00737.35 N ATOM 46935 N3 G 02235 151.104 44.156 60.553 1.00737.35 N ATOM 46936 C4 G 02235 150.079 43.741 61.330 1.00737.35 C ATOM 46937 P U 02236 147.217 41.119 56.601 1.00737.35 P ATOM 46938 O1P U 02236 146.549 40.898 55.294 1.00737.35 O ATOM 46939 O2P U 02236 147.075 40.104 57.677 1.00737.35 O ATOM 46940 O5* U 02236 148.774 41.339 56.336 1.00737.35 O ATOM 46941 C5* U 02236 149.231 42.293 55.378 1.00737.35 C ATOM 46942 C4* U 02236 150.724 42.496 55.510 1.00737.35 C ATOM 46943 O4* U 02236 151.017 42.988 56.847 1.00737.35 O ATOM 46944 C3* U 02236 151.575 41.241 55.377 1.00737.35 C ATOM 46945 O3* U 02236 151.875 40.937 54.016 1.00737.35 O ATOM 46946 C2* U 02236 152.823 41.619 56.160 1.00737.35 C ATOM 46947 O2* U 02236 153.711 42.446 55.433 1.00737.35 O ATOM 46948 C1* U 02236 152.216 42.398 57.327 1.00737.35 C ATOM 46949 N1 U 02236 151.892 41.548 58.486 1.00737.35 N ATOM 46950 C2 U 02236 152.942 41.112 59.290 1.00737.35 C ATOM 46951 O2 U 02236 154.111 41.400 59.075 1.00737.35 O ATOM 46952 N3 U 02236 152.569 40.322 60.350 1.00737.35 N ATOM 46953 C4 U 02236 151.287 39.929 60.688 1.00737.35 C ATOM 46954 O4 U 02236 151.109 39.213 61.674 1.00737.35 O ATOM 46955 C5 U 02236 150.267 40.418 59.815 1.00737.35 C ATOM 46956 C6 U 02236 150.593 41.189 58.773 1.00737.35 C ATOM 46957 P C 02237 151.811 39.411 53.500 1.00737.35 P ATOM 46958 O1P C 02237 152.179 39.403 52.060 1.00737.35 O ATOM 46959 O2P C 02237 150.502 38.849 53.920 1.00737.35 O ATOM 46960 O5* C 02237 152.961 38.655 54.307 1.00737.35 O ATOM 46961 C5* C 02237 152.895 38.522 55.725 1.00737.35 C ATOM 46962 C4* C 02237 154.255 38.184 56.289 1.00737.35 C ATOM 46963 O4* C 02237 154.266 38.493 57.708 1.00737.35 O ATOM 46964 C3* C 02237 154.660 36.721 56.200 1.00737.35 C ATOM 46965 O3* C 02237 155.277 36.418 54.952 1.00737.35 O ATOM 46966 C2* C 02237 155.631 36.578 57.366 1.00737.35 C ATOM 46967 O2* C 02237 156.935 37.033 57.063 1.00737.35 O ATOM 46968 C1* C 02237 154.991 37.496 58.410 1.00737.35 C ATOM 46969 N1 C 02237 154.067 36.807 59.333 1.00737.35 N ATOM 46970 C2 C 02237 154.592 36.129 60.444 1.00737.35 C ATOM 46971 O2 C 02237 155.825 36.110 60.618 1.00737.35 O ATOM 46972 N3 C 02237 153.746 35.510 61.301 1.00737.35 N ATOM 46973 C4 C 02237 152.429 35.542 61.080 1.00737.35 C ATOM 46974 N4 C 02237 151.634 34.917 61.949 1.00737.35 N ATOM 46975 C5 C 02237 151.869 36.217 59.957 1.00737.35 C ATOM 46976 C6 C 02237 152.713 36.829 59.118 1.00737.35 C ATOM 46977 P G 02238 155.371 34.887 54.464 1.00737.35 P ATOM 46978 O1P G 02238 154.000 34.431 54.122 1.00737.35 O ATOM 46979 O2P G 02238 156.155 34.149 55.490 1.00737.35 O ATOM 46980 O5* G 02238 156.229 34.953 53.121 1.00737.35 O ATOM 46981 C5* G 02238 157.238 33.979 52.851 1.00737.35 C ATOM 46982 C4* G 02238 156.998 33.327 51.508 1.00737.35 C ATOM 46983 O4* G 02238 155.670 32.738 51.498 1.00737.35 O ATOM 46984 C3* G 02238 157.005 34.248 50.298 1.00737.35 C ATOM 46985 O3* G 02238 158.332 34.474 49.828 1.00737.35 O ATOM 46986 C2* G 02238 156.178 33.455 49.295 1.00737.35 C ATOM 46987 O2* G 02238 156.908 32.416 48.674 1.00737.35 O ATOM 46988 C1* G 02238 155.104 32.854 50.201 1.00737.35 C ATOM 46989 N9 G 02238 153.903 33.682 50.294 1.00737.35 N ATOM 46990 C8 G 02238 153.686 34.739 51.144 1.00737.35 C ATOM 46991 N7 G 02238 152.515 35.291 50.989 1.00737.35 N ATOM 46992 C5 G 02238 151.918 34.554 49.976 1.00737.35 C ATOM 46993 C6 G 02238 150.639 34.685 49.373 1.00737.35 C ATOM 46994 O6 G 02238 149.750 35.505 49.629 1.00737.35 O ATOM 46995 N1 G 02238 150.441 33.730 48.383 1.00737.35 N ATOM 46996 C2 G 02238 151.352 32.771 48.014 1.00737.35 C ATOM 46997 N2 G 02238 150.973 31.940 47.033 1.00737.35 N ATOM 46998 N3 G 02238 152.547 32.638 48.566 1.00737.35 N ATOM 46999 C4 G 02238 152.762 33.557 49.532 1.00737.35 C ATOM 47000 P C 02239 158.643 35.740 48.885 1.00737.35 P ATOM 47001 O1P C 02239 160.114 35.778 48.671 1.00737.35 O ATOM 47002 O2P C 02239 157.956 36.931 49.448 1.00737.35 O ATOM 47003 O5* C 02239 157.950 35.374 47.498 1.00737.35 O ATOM 47004 C5* C 02239 158.377 34.242 46.742 1.00737.35 C ATOM 47005 C4* C 02239 157.353 33.889 45.688 1.00737.35 C ATOM 47006 O4* C 02239 156.084 33.593 46.333 1.00737.35 O ATOM 47007 C3* C 02239 157.015 34.979 44.686 1.00737.35 C ATOM 47008 O3* C 02239 157.960 34.998 43.619 1.00737.35 O ATOM 47009 C2* C 02239 155.626 34.561 44.213 1.00737.35 C ATOM 47010 O2* C 02239 155.656 33.521 43.255 1.00737.35 O ATOM 47011 C1* C 02239 155.014 34.034 45.513 1.00737.35 C ATOM 47012 N1 C 02239 154.234 35.051 46.250 1.00737.35 N ATOM 47013 C2 C 02239 152.872 35.218 45.939 1.00737.35 C ATOM 47014 O2 C 02239 152.359 34.510 45.055 1.00737.35 O ATOM 47015 N3 C 02239 152.153 36.149 46.609 1.00737.35 N ATOM 47016 C4 C 02239 152.735 36.892 47.551 1.00737.35 C ATOM 47017 N4 C 02239 151.985 37.797 48.185 1.00737.35 N ATOM 47018 C5 C 02239 154.113 36.744 47.887 1.00737.35 C ATOM 47019 C6 C 02239 154.815 35.820 47.219 1.00737.35 C ATOM 47020 P C 02240 158.095 36.307 42.690 1.00737.35 P ATOM 47021 O1P C 02240 159.278 36.103 41.815 1.00737.35 O ATOM 47022 O2P C 02240 158.021 37.514 43.552 1.00737.35 O ATOM 47023 O5* C 02240 156.790 36.265 41.775 1.00737.35 O ATOM 47024 C5* C 02240 156.517 35.143 40.940 1.00737.35 C ATOM 47025 C4* C 02240 155.106 35.215 40.401 1.00737.35 C ATOM 47026 O4* C 02240 154.165 35.229 41.508 1.00737.35 O ATOM 47027 C3* C 02240 154.765 36.462 39.603 1.00737.35 C ATOM 47028 O3* C 02240 155.184 36.327 38.247 1.00737.35 O ATOM 47029 C2* C 02240 153.245 36.516 39.733 1.00737.35 C ATOM 47030 O2* C 02240 152.579 35.651 38.834 1.00737.35 O ATOM 47031 C1* C 02240 153.042 36.027 41.169 1.00737.35 C ATOM 47032 N1 C 02240 152.913 37.120 42.157 1.00737.35 N ATOM 47033 C2 C 02240 151.678 37.788 42.278 1.00737.35 C ATOM 47034 O2 C 02240 150.728 37.447 41.552 1.00737.35 O ATOM 47035 N3 C 02240 151.553 38.784 43.182 1.00737.35 N ATOM 47036 C4 C 02240 152.593 39.131 43.946 1.00737.35 C ATOM 47037 N4 C 02240 152.419 40.123 44.824 1.00737.35 N ATOM 47038 C5 C 02240 153.856 38.476 43.844 1.00737.35 C ATOM 47039 C6 C 02240 153.971 37.486 42.946 1.00737.35 C ATOM 47040 P U 02241 155.660 37.623 37.419 1.00737.35 P ATOM 47041 O1P U 02241 156.689 37.179 36.445 1.00737.35 O ATOM 47042 O2P U 02241 155.984 38.716 38.374 1.00737.35 O ATOM 47043 O5* U 02241 154.364 38.052 36.594 1.00737.35 O ATOM 47044 C5* U 02241 153.158 38.411 37.261 1.00737.35 C ATOM 47045 C4* U 02241 152.494 39.570 36.563 1.00737.35 C ATOM 47046 O4* U 02241 151.309 39.950 37.314 1.00737.35 O ATOM 47047 C3* U 02241 153.336 40.834 36.495 1.00737.35 C ATOM 47048 O3* U 02241 154.166 40.812 35.337 1.00737.35 O ATOM 47049 C2* U 02241 152.279 41.929 36.441 1.00737.35 C ATOM 47050 O2* U 02241 151.728 42.101 35.151 1.00737.35 O ATOM 47051 C1* U 02241 151.218 41.364 37.389 1.00737.35 C ATOM 47052 N1 U 02241 151.408 41.763 38.794 1.00737.35 N ATOM 47053 C2 U 02241 150.819 42.944 39.224 1.00737.35 C ATOM 47054 O2 U 02241 150.157 43.666 38.494 1.00737.35 O ATOM 47055 N3 U 02241 151.036 43.249 40.548 1.00737.35 N ATOM 47056 C4 U 02241 151.765 42.514 41.462 1.00737.35 C ATOM 47057 O4 U 02241 151.863 42.915 42.623 1.00737.35 O ATOM 47058 C5 U 02241 152.340 41.314 40.944 1.00737.35 C ATOM 47059 C6 U 02241 152.150 40.988 39.664 1.00737.35 C ATOM 47060 P C 02242 155.500 41.707 35.290 1.00737.35 P ATOM 47061 O1P C 02242 156.222 41.360 34.038 1.00737.35 O ATOM 47062 O2P C 02242 156.196 41.586 36.597 1.00737.35 O ATOM 47063 O5* C 02242 154.947 43.193 35.141 1.00737.35 O ATOM 47064 C5* C 02242 155.727 44.313 35.549 1.00737.35 C ATOM 47065 C4* C 02242 154.866 45.551 35.596 1.00737.35 C ATOM 47066 O4* C 02242 153.704 45.292 36.430 1.00737.35 O ATOM 47067 C3* C 02242 155.520 46.772 36.220 1.00737.35 C ATOM 47068 O3* C 02242 156.295 47.480 35.258 1.00737.35 O ATOM 47069 C2* C 02242 154.317 47.576 36.697 1.00737.35 C ATOM 47070 O2* C 02242 153.698 48.319 35.667 1.00737.35 O ATOM 47071 C1* C 02242 153.376 46.461 37.168 1.00737.35 C ATOM 47072 N1 C 02242 153.495 46.155 38.608 1.00737.35 N ATOM 47073 C2 C 02242 152.695 46.865 39.523 1.00737.35 C ATOM 47074 O2 C 02242 151.906 47.722 39.098 1.00737.35 O ATOM 47075 N3 C 02242 152.806 46.592 40.844 1.00737.35 N ATOM 47076 C4 C 02242 153.664 45.660 41.267 1.00737.35 C ATOM 47077 N4 C 02242 153.744 45.431 42.580 1.00737.35 N ATOM 47078 C5 C 02242 154.484 44.924 40.362 1.00737.35 C ATOM 47079 C6 C 02242 154.368 45.201 39.057 1.00737.35 C ATOM 47080 P C 02243 157.582 48.317 35.731 1.00737.35 P ATOM 47081 O1P C 02243 158.229 48.861 34.509 1.00737.35 O ATOM 47082 O2P C 02243 158.375 47.481 36.668 1.00737.35 O ATOM 47083 O5* C 02243 156.962 49.534 36.553 1.00737.35 O ATOM 47084 C5* C 02243 156.190 50.539 35.900 1.00737.35 C ATOM 47085 C4* C 02243 155.600 51.491 36.916 1.00737.35 C ATOM 47086 O4* C 02243 154.647 50.780 37.751 1.00737.35 O ATOM 47087 C3* C 02243 156.583 52.092 37.906 1.00737.35 C ATOM 47088 O3* C 02243 157.241 53.228 37.353 1.00737.35 O ATOM 47089 C2* C 02243 155.674 52.478 39.067 1.00737.35 C ATOM 47090 O2* C 02243 155.005 53.707 38.869 1.00737.35 O ATOM 47091 C1* C 02243 154.658 51.332 39.057 1.00737.35 C ATOM 47092 N1 C 02243 154.967 50.268 40.031 1.00737.35 N ATOM 47093 C2 C 02243 154.616 50.461 41.379 1.00737.35 C ATOM 47094 O2 C 02243 154.044 51.515 41.711 1.00737.35 O ATOM 47095 N3 C 02243 154.908 49.500 42.284 1.00737.35 N ATOM 47096 C4 C 02243 155.524 48.381 41.893 1.00737.35 C ATOM 47097 N4 C 02243 155.802 47.465 42.822 1.00737.35 N ATOM 47098 C5 C 02243 155.884 48.154 40.532 1.00737.35 C ATOM 47099 C6 C 02243 155.590 49.113 39.644 1.00737.35 C ATOM 47100 P C 02244 158.814 53.442 37.612 1.00737.35 P ATOM 47101 O1P C 02244 159.169 54.787 37.093 1.00737.35 O ATOM 47102 O2P C 02244 159.537 52.248 37.105 1.00737.35 O ATOM 47103 O5* C 02244 158.945 53.465 39.201 1.00737.35 O ATOM 47104 C5* C 02244 158.370 54.518 39.972 1.00737.35 C ATOM 47105 C4* C 02244 158.415 54.175 41.443 1.00737.35 C ATOM 47106 O4* C 02244 157.596 53.002 41.687 1.00737.35 O ATOM 47107 C3* C 02244 159.786 53.801 41.987 1.00737.35 C ATOM 47108 O3* C 02244 160.527 54.958 42.351 1.00737.35 O ATOM 47109 C2* C 02244 159.433 52.942 43.196 1.00737.35 C ATOM 47110 O2* C 02244 159.085 53.704 44.335 1.00737.35 O ATOM 47111 C1* C 02244 158.205 52.190 42.681 1.00737.35 C ATOM 47112 N1 C 02244 158.525 50.875 42.085 1.00737.35 N ATOM 47113 C2 C 02244 158.642 49.755 42.926 1.00737.35 C ATOM 47114 O2 C 02244 158.478 49.897 44.150 1.00737.35 O ATOM 47115 N3 C 02244 158.932 48.551 42.386 1.00737.35 N ATOM 47116 C4 C 02244 159.105 48.435 41.065 1.00737.35 C ATOM 47117 N4 C 02244 159.383 47.225 40.575 1.00737.35 N ATOM 47118 C5 C 02244 158.997 49.552 40.189 1.00737.35 C ATOM 47119 C6 C 02244 158.710 50.741 40.735 1.00737.35 C ATOM 47120 P A 02245 162.133 54.933 42.289 1.00737.35 P ATOM 47121 O1P A 02245 162.601 53.974 43.322 1.00737.35 O ATOM 47122 O2P A 02245 162.614 56.338 42.324 1.00737.35 O ATOM 47123 O5* A 02245 162.459 54.315 40.858 1.00737.35 O ATOM 47124 C5* A 02245 163.568 54.782 40.093 1.00737.35 C ATOM 47125 C4* A 02245 164.053 53.707 39.148 1.00737.35 C ATOM 47126 O4* A 02245 164.545 52.571 39.911 1.00737.35 O ATOM 47127 C3* A 02245 163.005 53.117 38.220 1.00737.35 C ATOM 47128 O3* A 02245 162.656 53.982 37.125 1.00737.35 O ATOM 47129 C2* A 02245 163.546 51.721 37.914 1.00737.35 C ATOM 47130 O2* A 02245 164.491 51.631 36.872 1.00737.35 O ATOM 47131 C1* A 02245 164.224 51.362 39.237 1.00737.35 C ATOM 47132 N9 A 02245 163.410 50.536 40.130 1.00737.35 N ATOM 47133 C8 A 02245 162.442 50.945 41.015 1.00737.35 C ATOM 47134 N7 A 02245 161.897 49.961 41.694 1.00737.35 N ATOM 47135 C5 A 02245 162.546 48.831 41.219 1.00737.35 C ATOM 47136 C6 A 02245 162.424 47.466 41.542 1.00737.35 C ATOM 47137 N6 A 02245 161.578 46.992 42.459 1.00737.35 N ATOM 47138 N1 A 02245 163.217 46.593 40.883 1.00737.35 N ATOM 47139 C2 A 02245 164.071 47.067 39.968 1.00737.35 C ATOM 47140 N3 A 02245 164.278 48.324 39.578 1.00737.35 N ATOM 47141 C4 A 02245 163.474 49.167 40.251 1.00737.35 C ATOM 47142 P A 02246 163.777 54.537 36.102 1.00737.35 P ATOM 47143 O1P A 02246 163.034 55.398 35.148 1.00737.35 O ATOM 47144 O2P A 02246 164.631 53.450 35.575 1.00737.35 O ATOM 47145 O5* A 02246 164.692 55.497 36.992 1.00737.35 O ATOM 47146 C5* A 02246 165.292 56.668 36.429 1.00737.35 C ATOM 47147 C4* A 02246 166.683 56.879 36.986 1.00737.35 C ATOM 47148 O4* A 02246 166.614 57.234 38.389 1.00737.35 O ATOM 47149 C3* A 02246 167.609 55.674 36.938 1.00737.35 C ATOM 47150 O3* A 02246 168.231 55.589 35.659 1.00737.35 O ATOM 47151 C2* A 02246 168.616 55.988 38.040 1.00737.35 C ATOM 47152 O2* A 02246 169.652 56.852 37.613 1.00737.35 O ATOM 47153 C1* A 02246 167.741 56.709 39.071 1.00737.35 C ATOM 47154 N9 A 02246 167.258 55.904 40.200 1.00737.35 N ATOM 47155 C8 A 02246 166.201 56.230 41.013 1.00737.35 C ATOM 47156 N7 A 02246 165.960 55.347 41.949 1.00737.35 N ATOM 47157 C5 A 02246 166.924 54.373 41.745 1.00737.35 C ATOM 47158 C6 A 02246 167.194 53.166 42.411 1.00737.35 C ATOM 47159 N6 A 02246 166.476 52.724 43.444 1.00737.35 N ATOM 47160 N1 A 02246 168.236 52.422 41.970 1.00737.35 N ATOM 47161 C2 A 02246 168.937 52.869 40.922 1.00737.35 C ATOM 47162 N3 A 02246 168.773 53.983 40.206 1.00737.35 N ATOM 47163 C4 A 02246 167.736 54.702 40.675 1.00737.35 C ATOM 47164 P A 02247 168.629 54.154 35.056 1.00737.35 P ATOM 47165 O1P A 02247 167.535 53.203 35.377 1.00737.35 O ATOM 47166 O2P A 02247 170.019 53.845 35.479 1.00737.35 O ATOM 47167 O5* A 02247 168.627 54.391 33.481 1.00737.35 O ATOM 47168 C5* A 02247 168.909 53.326 32.581 1.00737.35 C ATOM 47169 C4* A 02247 167.650 52.898 31.867 1.00737.35 C ATOM 47170 O4* A 02247 167.144 54.007 31.074 1.00737.35 O ATOM 47171 C3* A 02247 167.820 51.782 30.853 1.00737.35 C ATOM 47172 O3* A 02247 167.830 50.507 31.488 1.00737.35 O ATOM 47173 C2* A 02247 166.594 51.977 29.970 1.00737.35 C ATOM 47174 O2* A 02247 165.409 51.448 30.532 1.00737.35 O ATOM 47175 C1* A 02247 166.510 53.505 29.906 1.00737.35 C ATOM 47176 N9 A 02247 167.173 54.084 28.734 1.00737.35 N ATOM 47177 C8 A 02247 168.242 53.581 28.029 1.00737.35 C ATOM 47178 N7 A 02247 168.594 54.317 27.006 1.00737.35 N ATOM 47179 C5 A 02247 167.703 55.382 27.038 1.00737.35 C ATOM 47180 C6 A 02247 167.552 56.511 26.216 1.00737.35 C ATOM 47181 N6 A 02247 168.323 56.766 25.156 1.00737.35 N ATOM 47182 N1 A 02247 166.567 57.382 26.522 1.00737.35 N ATOM 47183 C2 A 02247 165.797 57.129 27.587 1.00737.35 C ATOM 47184 N3 A 02247 165.842 56.108 28.436 1.00737.35 N ATOM 47185 C4 A 02247 166.827 55.255 28.101 1.00737.35 C ATOM 47186 P A 02248 169.232 49.770 31.766 1.00737.35 P ATOM 47187 O1P A 02248 169.548 49.968 33.204 1.00737.35 O ATOM 47188 O2P A 02248 170.217 50.190 30.735 1.00737.35 O ATOM 47189 O5* A 02248 168.911 48.225 31.549 1.00737.35 O ATOM 47190 C5* A 02248 168.554 47.723 30.263 1.00737.35 C ATOM 47191 C4* A 02248 169.197 46.374 30.033 1.00737.35 C ATOM 47192 O4* A 02248 170.640 46.531 29.996 1.00737.35 O ATOM 47193 C3* A 02248 168.951 45.346 31.126 1.00737.35 C ATOM 47194 O3* A 02248 167.718 44.667 30.914 1.00737.35 O ATOM 47195 C2* A 02248 170.153 44.422 30.977 1.00737.35 C ATOM 47196 O2* A 02248 170.003 43.476 29.934 1.00737.35 O ATOM 47197 C1* A 02248 171.258 45.416 30.618 1.00737.35 C ATOM 47198 N9 A 02248 172.019 45.896 31.776 1.00737.35 N ATOM 47199 C8 A 02248 171.858 47.079 32.459 1.00737.35 C ATOM 47200 N7 A 02248 172.694 47.229 33.457 1.00737.35 N ATOM 47201 C5 A 02248 173.456 46.070 33.430 1.00737.35 C ATOM 47202 C6 A 02248 174.521 45.620 34.233 1.00737.35 C ATOM 47203 N6 A 02248 175.017 46.313 35.261 1.00737.35 N ATOM 47204 N1 A 02248 175.061 44.417 33.943 1.00737.35 N ATOM 47205 C2 A 02248 174.564 43.724 32.912 1.00737.35 C ATOM 47206 N3 A 02248 173.570 44.041 32.084 1.00737.35 N ATOM 47207 C4 A 02248 173.052 45.240 32.402 1.00737.35 C ATOM 47208 P U 02249 166.678 44.507 32.129 1.00737.35 P ATOM 47209 O1P U 02249 165.497 43.776 31.606 1.00737.35 O ATOM 47210 O2P U 02249 166.493 45.837 32.767 1.00737.35 O ATOM 47211 O5* U 02249 167.437 43.563 33.165 1.00737.35 O ATOM 47212 C5* U 02249 167.517 42.154 32.952 1.00737.35 C ATOM 47213 C4* U 02249 168.248 41.492 34.099 1.00737.35 C ATOM 47214 O4* U 02249 169.633 41.929 34.108 1.00737.35 O ATOM 47215 C3* U 02249 167.737 41.831 35.491 1.00737.35 C ATOM 47216 O3* U 02249 166.626 41.015 35.844 1.00737.35 O ATOM 47217 C2* U 02249 168.958 41.546 36.358 1.00737.35 C ATOM 47218 O2* U 02249 169.120 40.174 36.655 1.00737.35 O ATOM 47219 C1* U 02249 170.095 42.016 35.447 1.00737.35 C ATOM 47220 N1 U 02249 170.526 43.402 35.710 1.00737.35 N ATOM 47221 C2 U 02249 171.525 43.601 36.652 1.00737.35 C ATOM 47222 O2 U 02249 172.059 42.691 37.264 1.00737.35 O ATOM 47223 N3 U 02249 171.877 44.913 36.853 1.00737.35 N ATOM 47224 C4 U 02249 171.346 46.023 36.225 1.00737.35 C ATOM 47225 O4 U 02249 171.772 47.142 36.515 1.00737.35 O ATOM 47226 C5 U 02249 170.322 45.735 35.269 1.00737.35 C ATOM 47227 C6 U 02249 169.955 44.468 35.049 1.00737.35 C ATOM 47228 P G 02250 165.397 41.652 36.665 1.00737.35 P ATOM 47229 O1P G 02250 164.432 40.554 36.935 1.00737.35 O ATOM 47230 O2P G 02250 164.938 42.871 35.955 1.00737.35 O ATOM 47231 O5* G 02250 166.046 42.096 38.053 1.00737.35 O ATOM 47232 C5* G 02250 166.656 41.138 38.916 1.00737.35 C ATOM 47233 C4* G 02250 167.534 41.828 39.933 1.00737.35 C ATOM 47234 O4* G 02250 168.571 42.573 39.239 1.00737.35 O ATOM 47235 C3* G 02250 166.855 42.868 40.813 1.00737.35 C ATOM 47236 O3* G 02250 166.214 42.248 41.927 1.00737.35 O ATOM 47237 C2* G 02250 168.029 43.743 41.235 1.00737.35 C ATOM 47238 O2* G 02250 168.796 43.179 42.281 1.00737.35 O ATOM 47239 C1* G 02250 168.864 43.764 39.952 1.00737.35 C ATOM 47240 N9 G 02250 168.568 44.907 39.090 1.00737.35 N ATOM 47241 C8 G 02250 167.627 44.975 38.091 1.00737.35 C ATOM 47242 N7 G 02250 167.591 46.135 37.495 1.00737.35 N ATOM 47243 C5 G 02250 168.568 46.881 38.138 1.00737.35 C ATOM 47244 C6 G 02250 168.991 48.221 37.926 1.00737.35 C ATOM 47245 O6 G 02250 168.569 49.040 37.102 1.00737.35 O ATOM 47246 N1 G 02250 170.013 48.578 38.800 1.00737.35 N ATOM 47247 C2 G 02250 170.558 47.757 39.755 1.00737.35 C ATOM 47248 N2 G 02250 171.538 48.288 40.503 1.00737.35 N ATOM 47249 N3 G 02250 170.173 46.509 39.964 1.00737.35 N ATOM 47250 C4 G 02250 169.182 46.139 39.125 1.00737.35 C ATOM 47251 P U 02251 165.096 43.054 42.760 1.00737.35 P ATOM 47252 O1P U 02251 164.309 42.048 43.519 1.00737.35 O ATOM 47253 O2P U 02251 164.398 43.995 41.846 1.00737.35 O ATOM 47254 O5* U 02251 165.939 43.908 43.807 1.00737.35 O ATOM 47255 C5* U 02251 166.953 43.296 44.600 1.00737.35 C ATOM 47256 C4* U 02251 167.852 44.342 45.215 1.00737.35 C ATOM 47257 O4* U 02251 168.370 45.199 44.164 1.00737.35 O ATOM 47258 C3* U 02251 167.195 45.316 46.178 1.00737.35 C ATOM 47259 O3* U 02251 167.079 44.741 47.477 1.00737.35 O ATOM 47260 C2* U 02251 168.169 46.489 46.151 1.00737.35 C ATOM 47261 O2* U 02251 169.308 46.286 46.963 1.00737.35 O ATOM 47262 C1* U 02251 168.580 46.507 44.675 1.00737.35 C ATOM 47263 N1 U 02251 167.798 47.462 43.869 1.00737.35 N ATOM 47264 C2 U 02251 168.474 48.529 43.288 1.00737.35 C ATOM 47265 O2 U 02251 169.689 48.663 43.361 1.00737.35 O ATOM 47266 N3 U 02251 167.674 49.421 42.608 1.00737.35 N ATOM 47267 C4 U 02251 166.301 49.343 42.439 1.00737.35 C ATOM 47268 O4 U 02251 165.706 50.238 41.838 1.00737.35 O ATOM 47269 C5 U 02251 165.690 48.197 43.037 1.00737.35 C ATOM 47270 C6 U 02251 166.436 47.320 43.713 1.00737.35 C ATOM 47271 P A 02252 165.627 44.577 48.152 1.00737.35 P ATOM 47272 O1P A 02252 165.727 43.461 49.128 1.00737.35 O ATOM 47273 O2P A 02252 164.600 44.518 47.078 1.00737.35 O ATOM 47274 O5* A 02252 165.413 45.933 48.961 1.00737.35 O ATOM 47275 C5* A 02252 166.062 46.151 50.213 1.00737.35 C ATOM 47276 C4* A 02252 165.383 47.268 50.973 1.00737.35 C ATOM 47277 O4* A 02252 165.510 48.503 50.225 1.00737.35 O ATOM 47278 C3* A 02252 163.885 47.116 51.194 1.00737.35 C ATOM 47279 O3* A 02252 163.617 46.300 52.332 1.00737.35 O ATOM 47280 C2* A 02252 163.444 48.561 51.406 1.00737.35 C ATOM 47281 O2* A 02252 163.676 49.024 52.720 1.00737.35 O ATOM 47282 C1* A 02252 164.358 49.305 50.427 1.00737.35 C ATOM 47283 N9 A 02252 163.739 49.564 49.126 1.00737.35 N ATOM 47284 C8 A 02252 163.632 48.711 48.053 1.00737.35 C ATOM 47285 N7 A 02252 163.020 49.238 47.020 1.00737.35 N ATOM 47286 C5 A 02252 162.700 50.521 47.439 1.00737.35 C ATOM 47287 C6 A 02252 162.044 51.589 46.801 1.00737.35 C ATOM 47288 N6 A 02252 161.570 51.526 45.555 1.00737.35 N ATOM 47289 N1 A 02252 161.890 52.737 47.495 1.00737.35 N ATOM 47290 C2 A 02252 162.366 52.797 48.744 1.00737.35 C ATOM 47291 N3 A 02252 162.999 51.865 49.452 1.00737.35 N ATOM 47292 C4 A 02252 163.139 50.738 48.734 1.00737.35 C ATOM 47293 P A 02253 162.174 45.600 52.495 1.00737.35 P ATOM 47294 O1P A 02253 162.348 44.449 53.416 1.00737.35 O ATOM 47295 O2P A 02253 161.595 45.376 51.144 1.00737.35 O ATOM 47296 O5* A 02253 161.294 46.702 53.236 1.00737.35 O ATOM 47297 C5* A 02253 161.616 47.130 54.558 1.00737.35 C ATOM 47298 C4* A 02253 160.834 48.374 54.914 1.00737.35 C ATOM 47299 O4* A 02253 161.178 49.434 53.986 1.00737.35 O ATOM 47300 C3* A 02253 159.319 48.261 54.817 1.00737.35 C ATOM 47301 O3* A 02253 158.780 47.720 56.023 1.00737.35 O ATOM 47302 C2* A 02253 158.902 49.714 54.612 1.00737.35 C ATOM 47303 O2* A 02253 158.857 50.452 55.818 1.00737.35 O ATOM 47304 C1* A 02253 160.040 50.239 53.732 1.00737.35 C ATOM 47305 N9 A 02253 159.756 50.191 52.296 1.00737.35 N ATOM 47306 C8 A 02253 159.685 49.087 51.483 1.00737.35 C ATOM 47307 N7 A 02253 159.412 49.368 50.230 1.00737.35 N ATOM 47308 C5 A 02253 159.292 50.750 50.218 1.00737.35 C ATOM 47309 C6 A 02253 159.011 51.665 49.190 1.00737.35 C ATOM 47310 N6 A 02253 158.788 51.310 47.922 1.00737.35 N ATOM 47311 N1 A 02253 158.965 52.978 49.510 1.00737.35 N ATOM 47312 C2 A 02253 159.188 53.334 50.782 1.00737.35 C ATOM 47313 N3 A 02253 159.461 52.568 51.837 1.00737.35 N ATOM 47314 C4 A 02253 159.500 51.271 51.484 1.00737.35 C ATOM 47315 P C 02254 157.573 46.659 55.955 1.00737.35 P ATOM 47316 O1P C 02254 157.554 45.947 57.258 1.00737.35 O ATOM 47317 O2P C 02254 157.692 45.875 54.696 1.00737.35 O ATOM 47318 O5* C 02254 156.261 47.562 55.883 1.00737.35 O ATOM 47319 C5* C 02254 155.364 47.476 54.775 1.00737.35 C ATOM 47320 C4* C 02254 154.017 48.062 55.137 1.00737.35 C ATOM 47321 O4* C 02254 153.379 47.245 56.150 1.00737.35 O ATOM 47322 C3* C 02254 154.034 49.458 55.739 1.00737.35 C ATOM 47323 O3* C 02254 154.095 50.434 54.703 1.00737.35 O ATOM 47324 C2* C 02254 152.704 49.509 56.485 1.00737.35 C ATOM 47325 O2* C 02254 151.610 49.834 55.651 1.00737.35 O ATOM 47326 C1* C 02254 152.562 48.063 56.973 1.00737.35 C ATOM 47327 N1 C 02254 152.937 47.852 58.386 1.00737.35 N ATOM 47328 C2 C 02254 151.973 48.078 59.386 1.00737.35 C ATOM 47329 O2 C 02254 150.840 48.469 59.060 1.00737.35 O ATOM 47330 N3 C 02254 152.304 47.866 60.681 1.00737.35 N ATOM 47331 C4 C 02254 153.531 47.450 60.997 1.00737.35 C ATOM 47332 N4 C 02254 153.804 47.244 62.287 1.00737.35 N ATOM 47333 C5 C 02254 154.531 47.224 60.007 1.00737.35 C ATOM 47334 C6 C 02254 154.195 47.433 58.727 1.00737.35 C ATOM 47335 P G 02255 154.964 51.772 54.910 1.00737.35 P ATOM 47336 O1P G 02255 156.340 51.358 55.294 1.00737.35 O ATOM 47337 O2P G 02255 154.206 52.696 55.788 1.00737.35 O ATOM 47338 O5* G 02255 155.036 52.413 53.452 1.00737.35 O ATOM 47339 C5* G 02255 153.943 52.282 52.546 1.00737.35 C ATOM 47340 C4* G 02255 154.119 53.214 51.370 1.00737.35 C ATOM 47341 O4* G 02255 155.370 52.916 50.698 1.00737.35 O ATOM 47342 C3* G 02255 153.065 53.065 50.286 1.00737.35 C ATOM 47343 O3* G 02255 151.900 53.824 50.600 1.00737.35 O ATOM 47344 C2* G 02255 153.792 53.594 49.055 1.00737.35 C ATOM 47345 O2* G 02255 153.812 55.005 48.985 1.00737.35 O ATOM 47346 C1* G 02255 155.207 53.064 49.294 1.00737.35 C ATOM 47347 N9 G 02255 155.455 51.769 48.659 1.00737.35 N ATOM 47348 C8 G 02255 155.666 50.564 49.283 1.00737.35 C ATOM 47349 N7 G 02255 155.859 49.579 48.448 1.00737.35 N ATOM 47350 C5 G 02255 155.770 50.169 47.194 1.00737.35 C ATOM 47351 C6 G 02255 155.891 49.599 45.901 1.00737.35 C ATOM 47352 O6 G 02255 156.109 48.420 45.594 1.00737.35 O ATOM 47353 N1 G 02255 155.728 50.556 44.904 1.00737.35 N ATOM 47354 C2 G 02255 155.484 51.889 45.122 1.00737.35 C ATOM 47355 N2 G 02255 155.355 52.653 44.027 1.00737.35 N ATOM 47356 N3 G 02255 155.369 52.434 46.322 1.00737.35 N ATOM 47357 C4 G 02255 155.523 51.521 47.306 1.00737.35 C ATOM 47358 P G 02256 150.448 53.153 50.446 1.00737.35 P ATOM 47359 O1P G 02256 149.480 54.043 51.137 1.00737.35 O ATOM 47360 O2P G 02256 150.539 51.724 50.844 1.00737.35 O ATOM 47361 O5* G 02256 150.159 53.211 48.880 1.00737.35 O ATOM 47362 C5* G 02256 149.746 54.425 48.256 1.00737.35 C ATOM 47363 C4* G 02256 149.288 54.159 46.840 1.00737.35 C ATOM 47364 O4* G 02256 150.417 53.726 46.038 1.00737.35 O ATOM 47365 C3* G 02256 148.262 53.051 46.670 1.00737.35 C ATOM 47366 O3* G 02256 146.942 53.531 46.918 1.00737.35 O ATOM 47367 C2* G 02256 148.461 52.648 45.212 1.00737.35 C ATOM 47368 O2* G 02256 147.792 53.499 44.302 1.00737.35 O ATOM 47369 C1* G 02256 149.974 52.806 45.053 1.00737.35 C ATOM 47370 N9 G 02256 150.720 51.558 45.213 1.00737.35 N ATOM 47371 C8 G 02256 151.207 51.020 46.382 1.00737.35 C ATOM 47372 N7 G 02256 151.838 49.891 46.200 1.00737.35 N ATOM 47373 C5 G 02256 151.764 49.670 44.832 1.00737.35 C ATOM 47374 C6 G 02256 152.271 48.601 44.044 1.00737.35 C ATOM 47375 O6 G 02256 152.908 47.605 44.411 1.00737.35 O ATOM 47376 N1 G 02256 151.968 48.772 42.697 1.00737.35 N ATOM 47377 C2 G 02256 151.271 49.833 42.173 1.00737.35 C ATOM 47378 N2 G 02256 151.079 49.817 40.846 1.00737.35 N ATOM 47379 N3 G 02256 150.793 50.834 42.896 1.00737.35 N ATOM 47380 C4 G 02256 151.076 50.688 44.207 1.00737.35 C ATOM 47381 P A 02257 145.797 52.504 47.391 1.00737.35 P ATOM 47382 O1P A 02257 144.602 53.313 47.747 1.00737.35 O ATOM 47383 O2P A 02257 146.379 51.576 48.398 1.00737.35 O ATOM 47384 O5* A 02257 145.458 51.680 46.070 1.00737.35 O ATOM 47385 C5* A 02257 144.996 50.332 46.138 1.00737.35 C ATOM 47386 C4* A 02257 144.734 49.804 44.747 1.00737.35 C ATOM 47387 O4* A 02257 145.911 50.021 43.923 1.00737.35 O ATOM 47388 C3* A 02257 144.477 48.309 44.650 1.00737.35 C ATOM 47389 O3* A 02257 143.112 47.989 44.904 1.00737.35 O ATOM 47390 C2* A 02257 144.878 48.007 43.212 1.00737.35 C ATOM 47391 O2* A 02257 143.885 48.361 42.271 1.00737.35 O ATOM 47392 C1* A 02257 146.097 48.919 43.050 1.00737.35 C ATOM 47393 N9 A 02257 147.348 48.250 43.412 1.00737.35 N ATOM 47394 C8 A 02257 148.053 48.354 44.587 1.00737.35 C ATOM 47395 N7 A 02257 149.134 47.617 44.622 1.00737.35 N ATOM 47396 C5 A 02257 149.148 46.987 43.386 1.00737.35 C ATOM 47397 C6 A 02257 150.038 46.069 42.807 1.00737.35 C ATOM 47398 N6 A 02257 151.128 45.608 43.423 1.00737.35 N ATOM 47399 N1 A 02257 149.767 45.633 41.556 1.00737.35 N ATOM 47400 C2 A 02257 148.668 46.094 40.944 1.00737.35 C ATOM 47401 N3 A 02257 147.755 46.955 41.385 1.00737.35 N ATOM 47402 C4 A 02257 148.057 47.369 42.628 1.00737.35 C ATOM 47403 P G 02258 142.723 46.539 45.481 1.00737.35 P ATOM 47404 O1P G 02258 141.244 46.488 45.593 1.00737.35 O ATOM 47405 O2P G 02258 143.561 46.275 46.681 1.00737.35 O ATOM 47406 O5* G 02258 143.172 45.529 44.331 1.00737.35 O ATOM 47407 C5* G 02258 142.582 45.589 43.034 1.00737.35 C ATOM 47408 C4* G 02258 143.043 44.427 42.184 1.00737.35 C ATOM 47409 O4* G 02258 144.477 44.513 41.968 1.00737.35 O ATOM 47410 C3* G 02258 142.846 43.039 42.774 1.00737.35 C ATOM 47411 O3* G 02258 141.514 42.579 42.565 1.00737.35 O ATOM 47412 C2* G 02258 143.860 42.210 41.992 1.00737.35 C ATOM 47413 O2* G 02258 143.388 41.816 40.719 1.00737.35 O ATOM 47414 C1* G 02258 145.012 43.206 41.828 1.00737.35 C ATOM 47415 N9 G 02258 146.087 43.028 42.803 1.00737.35 N ATOM 47416 C8 G 02258 146.278 43.724 43.974 1.00737.35 C ATOM 47417 N7 G 02258 147.333 43.335 44.635 1.00737.35 N ATOM 47418 C5 G 02258 147.875 42.319 43.859 1.00737.35 C ATOM 47419 C6 G 02258 149.029 41.517 44.066 1.00737.35 C ATOM 47420 O6 G 02258 149.831 41.546 45.007 1.00737.35 O ATOM 47421 N1 G 02258 149.209 40.607 43.031 1.00737.35 N ATOM 47422 C2 G 02258 148.392 40.481 41.937 1.00737.35 C ATOM 47423 N2 G 02258 148.736 39.536 41.045 1.00737.35 N ATOM 47424 N3 G 02258 147.314 41.223 41.730 1.00737.35 N ATOM 47425 C4 G 02258 147.117 42.116 42.724 1.00737.35 C ATOM 47426 P G 02259 140.954 41.339 43.421 1.00737.35 P ATOM 47427 O1P G 02259 139.560 41.084 42.972 1.00737.35 O ATOM 47428 O2P G 02259 141.224 41.599 44.860 1.00737.35 O ATOM 47429 O5* G 02259 141.857 40.114 42.950 1.00737.35 O ATOM 47430 C5* G 02259 141.824 38.869 43.638 1.00737.35 C ATOM 47431 C4* G 02259 142.771 37.889 42.983 1.00737.35 C ATOM 47432 O4* G 02259 144.105 38.462 42.938 1.00737.35 O ATOM 47433 C3* G 02259 142.950 36.569 43.715 1.00737.35 C ATOM 47434 O3* G 02259 141.917 35.652 43.361 1.00737.35 O ATOM 47435 C2* G 02259 144.320 36.111 43.230 1.00737.35 C ATOM 47436 O2* G 02259 144.283 35.498 41.955 1.00737.35 O ATOM 47437 C1* G 02259 145.071 37.443 43.143 1.00737.35 C ATOM 47438 N9 G 02259 145.836 37.768 44.345 1.00737.35 N ATOM 47439 C8 G 02259 145.432 38.546 45.402 1.00737.35 C ATOM 47440 N7 G 02259 146.339 38.658 46.333 1.00737.35 N ATOM 47441 C5 G 02259 147.408 37.908 45.865 1.00737.35 C ATOM 47442 C6 G 02259 148.679 37.657 46.445 1.00737.35 C ATOM 47443 O6 G 02259 149.130 38.062 47.525 1.00737.35 O ATOM 47444 N1 G 02259 149.460 36.840 45.634 1.00737.35 N ATOM 47445 C2 G 02259 149.070 36.331 44.420 1.00737.35 C ATOM 47446 N2 G 02259 149.968 35.560 43.788 1.00737.35 N ATOM 47447 N3 G 02259 147.890 36.556 43.867 1.00737.35 N ATOM 47448 C4 G 02259 147.114 37.348 44.640 1.00737.35 C ATOM 47449 P C 02260 141.512 34.476 44.380 1.00737.35 P ATOM 47450 O1P C 02260 140.266 33.854 43.858 1.00737.35 O ATOM 47451 O2P C 02260 141.534 35.015 45.763 1.00737.35 O ATOM 47452 O5* C 02260 142.694 33.418 44.236 1.00737.35 O ATOM 47453 C5* C 02260 142.865 32.665 43.038 1.00737.35 C ATOM 47454 C4* C 02260 144.122 31.829 43.115 1.00737.35 C ATOM 47455 O4* C 02260 145.277 32.705 43.189 1.00737.35 O ATOM 47456 C3* C 02260 144.243 30.939 44.343 1.00737.35 C ATOM 47457 O3* C 02260 143.555 29.706 44.155 1.00737.35 O ATOM 47458 C2* C 02260 145.751 30.753 44.458 1.00737.35 C ATOM 47459 O2* C 02260 146.260 29.772 43.577 1.00737.35 O ATOM 47460 C1* C 02260 146.257 32.138 44.046 1.00737.35 C ATOM 47461 N1 C 02260 146.468 33.051 45.190 1.00737.35 N ATOM 47462 C2 C 02260 147.724 33.081 45.814 1.00737.35 C ATOM 47463 O2 C 02260 148.631 32.344 45.391 1.00737.35 O ATOM 47464 N3 C 02260 147.918 33.910 46.865 1.00737.35 N ATOM 47465 C4 C 02260 146.923 34.690 47.294 1.00737.35 C ATOM 47466 N4 C 02260 147.160 35.491 48.335 1.00737.35 N ATOM 47467 C5 C 02260 145.640 34.681 46.677 1.00737.35 C ATOM 47468 C6 C 02260 145.457 33.857 45.639 1.00737.35 C ATOM 47469 P G 02261 142.996 28.901 45.432 1.00737.35 P ATOM 47470 O1P G 02261 141.997 27.923 44.938 1.00737.35 O ATOM 47471 O2P G 02261 142.602 29.883 46.476 1.00737.35 O ATOM 47472 O5* G 02261 144.265 28.098 45.966 1.00737.35 O ATOM 47473 C5* G 02261 144.922 27.128 45.150 1.00737.35 C ATOM 47474 C4* G 02261 146.023 26.449 45.932 1.00737.35 C ATOM 47475 O4* G 02261 146.993 27.455 46.322 1.00737.35 O ATOM 47476 C3* G 02261 145.580 25.811 47.244 1.00737.35 C ATOM 47477 O3* G 02261 145.163 24.437 47.154 1.00737.35 O ATOM 47478 C2* G 02261 146.859 25.846 48.080 1.00737.35 C ATOM 47479 O2* G 02261 147.698 24.727 47.859 1.00737.35 O ATOM 47480 C1* G 02261 147.555 27.111 47.572 1.00737.35 C ATOM 47481 N9 G 02261 147.474 28.262 48.469 1.00737.35 N ATOM 47482 C8 G 02261 146.533 29.266 48.468 1.00737.35 C ATOM 47483 N7 G 02261 146.744 30.164 49.391 1.00737.35 N ATOM 47484 C5 G 02261 147.890 29.730 50.042 1.00737.35 C ATOM 47485 C6 G 02261 148.607 30.296 51.132 1.00737.35 C ATOM 47486 O6 G 02261 148.368 31.339 51.757 1.00737.35 O ATOM 47487 N1 G 02261 149.710 29.521 51.476 1.00737.35 N ATOM 47488 C2 G 02261 150.082 28.354 50.855 1.00737.35 C ATOM 47489 N2 G 02261 151.178 27.747 51.333 1.00737.35 N ATOM 47490 N3 G 02261 149.428 27.819 49.838 1.00737.35 N ATOM 47491 C4 G 02261 148.352 28.554 49.487 1.00737.35 C ATOM 47492 P C 02262 144.834 23.747 45.729 1.00737.35 P ATOM 47493 O1P C 02262 144.361 22.374 46.040 1.00737.35 O ATOM 47494 O2P C 02262 145.993 23.925 44.816 1.00737.35 O ATOM 47495 O5* C 02262 143.591 24.549 45.133 1.00737.35 O ATOM 47496 C5* C 02262 142.884 24.032 44.007 1.00737.35 C ATOM 47497 C4* C 02262 141.915 25.058 43.464 1.00737.35 C ATOM 47498 O4* C 02262 142.645 26.245 43.056 1.00737.35 O ATOM 47499 C3* C 02262 141.183 24.625 42.204 1.00737.35 C ATOM 47500 O3* C 02262 140.044 23.831 42.510 1.00737.35 O ATOM 47501 C2* C 02262 140.801 25.961 41.580 1.00737.35 C ATOM 47502 O2* C 02262 139.656 26.545 42.167 1.00737.35 O ATOM 47503 C1* C 02262 142.040 26.805 41.898 1.00737.35 C ATOM 47504 N1 C 02262 143.032 26.827 40.803 1.00737.35 N ATOM 47505 C2 C 02262 142.791 27.642 39.682 1.00737.35 C ATOM 47506 O2 C 02262 141.755 28.328 39.640 1.00737.35 O ATOM 47507 N3 C 02262 143.694 27.658 38.674 1.00737.35 N ATOM 47508 C4 C 02262 144.795 26.909 38.749 1.00737.35 C ATOM 47509 N4 C 02262 145.653 26.953 37.727 1.00737.35 N ATOM 47510 C5 C 02262 145.068 26.077 39.874 1.00737.35 C ATOM 47511 C6 C 02262 144.169 26.066 40.867 1.00737.35 C ATOM 47512 P C 02263 139.807 22.444 41.731 1.00737.35 P ATOM 47513 O1P C 02263 138.505 21.894 42.191 1.00737.35 O ATOM 47514 O2P C 02263 141.036 21.620 41.862 1.00737.35 O ATOM 47515 O5* C 02263 139.660 22.874 40.202 1.00737.35 O ATOM 47516 C5* C 02263 138.478 23.521 39.734 1.00737.35 C ATOM 47517 C4* C 02263 138.594 23.833 38.259 1.00737.35 C ATOM 47518 O4* C 02263 139.668 24.790 38.048 1.00737.35 O ATOM 47519 C3* C 02263 138.958 22.670 37.349 1.00737.35 C ATOM 47520 O3* C 02263 137.808 21.898 37.012 1.00737.35 O ATOM 47521 C2* C 02263 139.535 23.383 36.131 1.00737.35 C ATOM 47522 O2* C 02263 138.544 23.875 35.252 1.00737.35 O ATOM 47523 C1* C 02263 140.273 24.554 36.787 1.00737.35 C ATOM 47524 N1 C 02263 141.715 24.300 36.985 1.00737.35 N ATOM 47525 C2 C 02263 142.605 24.609 35.943 1.00737.35 C ATOM 47526 O2 C 02263 142.160 25.084 34.881 1.00737.35 O ATOM 47527 N3 C 02263 143.928 24.384 36.116 1.00737.35 N ATOM 47528 C4 C 02263 144.373 23.868 37.264 1.00737.35 C ATOM 47529 N4 C 02263 145.688 23.661 37.383 1.00737.35 N ATOM 47530 C5 C 02263 143.494 23.540 38.336 1.00737.35 C ATOM 47531 C6 C 02263 142.186 23.772 38.156 1.00737.35 C ATOM 47532 P C 02264 137.980 20.359 36.578 1.00737.35 P ATOM 47533 O1P C 02264 136.615 19.799 36.394 1.00737.35 O ATOM 47534 O2P C 02264 138.920 19.703 37.524 1.00737.35 O ATOM 47535 O5* C 02264 138.684 20.437 35.150 1.00737.35 O ATOM 47536 C5* C 02264 138.004 20.997 34.027 1.00737.35 C ATOM 47537 C4* C 02264 138.853 20.878 32.783 1.00737.35 C ATOM 47538 O4* C 02264 140.064 21.658 32.946 1.00737.35 O ATOM 47539 C3* C 02264 139.350 19.481 32.445 1.00737.35 C ATOM 47540 O3* C 02264 138.362 18.754 31.721 1.00737.35 O ATOM 47541 C2* C 02264 140.569 19.777 31.579 1.00737.35 C ATOM 47542 O2* C 02264 140.240 20.060 30.233 1.00737.35 O ATOM 47543 C1* C 02264 141.130 21.035 32.247 1.00737.35 C ATOM 47544 N1 C 02264 142.235 20.769 33.190 1.00737.35 N ATOM 47545 C2 C 02264 143.542 20.654 32.686 1.00737.35 C ATOM 47546 O2 C 02264 143.734 20.772 31.462 1.00737.35 O ATOM 47547 N3 C 02264 144.561 20.416 33.545 1.00737.35 N ATOM 47548 C4 C 02264 144.320 20.290 34.850 1.00737.35 C ATOM 47549 N4 C 02264 145.361 20.056 35.656 1.00737.35 N ATOM 47550 C5 C 02264 143.005 20.397 35.390 1.00737.35 C ATOM 47551 C6 C 02264 142.002 20.635 34.532 1.00737.35 C ATOM 47552 P A 02265 137.930 17.283 32.209 1.00737.35 P ATOM 47553 O1P A 02265 136.903 16.791 31.258 1.00737.35 O ATOM 47554 O2P A 02265 137.616 17.344 33.659 1.00737.35 O ATOM 47555 O5* A 02265 139.241 16.392 32.021 1.00737.35 O ATOM 47556 C5* A 02265 140.100 16.566 30.897 1.00737.35 C ATOM 47557 C4* A 02265 140.239 15.268 30.135 1.00737.35 C ATOM 47558 O4* A 02265 140.742 14.242 31.029 1.00737.35 O ATOM 47559 C3* A 02265 138.948 14.691 29.576 1.00737.35 C ATOM 47560 O3* A 02265 138.660 15.268 28.306 1.00737.35 O ATOM 47561 C2* A 02265 139.283 13.208 29.462 1.00737.35 C ATOM 47562 O2* A 02265 140.027 12.893 28.300 1.00737.35 O ATOM 47563 C1* A 02265 140.148 12.994 30.705 1.00737.35 C ATOM 47564 N9 A 02265 139.396 12.522 31.867 1.00737.35 N ATOM 47565 C8 A 02265 138.709 13.271 32.794 1.00737.35 C ATOM 47566 N7 A 02265 138.130 12.558 33.727 1.00737.35 N ATOM 47567 C5 A 02265 138.453 11.249 33.395 1.00737.35 C ATOM 47568 C6 A 02265 138.141 10.016 33.993 1.00737.35 C ATOM 47569 N6 A 02265 137.401 9.896 35.098 1.00737.35 N ATOM 47570 N1 A 02265 138.621 8.896 33.411 1.00737.35 N ATOM 47571 C2 A 02265 139.363 9.018 32.304 1.00737.35 C ATOM 47572 N3 A 02265 139.727 10.120 31.649 1.00737.35 N ATOM 47573 C4 A 02265 139.233 11.213 32.252 1.00737.35 C ATOM 47574 P A 02266 137.133 15.430 27.819 1.00737.35 P ATOM 47575 O1P A 02266 136.250 15.401 29.014 1.00737.35 O ATOM 47576 O2P A 02266 136.904 14.463 26.716 1.00737.35 O ATOM 47577 O5* A 02266 137.094 16.898 27.202 1.00737.35 O ATOM 47578 C5* A 02266 137.145 18.049 28.045 1.00737.35 C ATOM 47579 C4* A 02266 138.456 18.777 27.859 1.00737.35 C ATOM 47580 O4* A 02266 139.545 17.897 28.244 1.00737.35 O ATOM 47581 C3* A 02266 138.793 19.195 26.436 1.00737.35 C ATOM 47582 O3* A 02266 138.187 20.448 26.127 1.00737.35 O ATOM 47583 C2* A 02266 140.315 19.285 26.474 1.00737.35 C ATOM 47584 O2* A 02266 140.787 20.496 27.030 1.00737.35 O ATOM 47585 C1* A 02266 140.665 18.122 27.404 1.00737.35 C ATOM 47586 N9 A 02266 140.971 16.869 26.708 1.00737.35 N ATOM 47587 C8 A 02266 140.175 16.168 25.834 1.00737.35 C ATOM 47588 N7 A 02266 140.730 15.071 25.378 1.00737.35 N ATOM 47589 C5 A 02266 141.975 15.048 25.992 1.00737.35 C ATOM 47590 C6 A 02266 143.044 14.137 25.922 1.00737.35 C ATOM 47591 N6 A 02266 143.031 13.031 25.174 1.00737.35 N ATOM 47592 N1 A 02266 144.145 14.407 26.658 1.00737.35 N ATOM 47593 C2 A 02266 144.159 15.517 27.408 1.00737.35 C ATOM 47594 N3 A 02266 143.217 16.446 27.556 1.00737.35 N ATOM 47595 C4 A 02266 142.138 16.150 26.811 1.00737.35 C ATOM 47596 P A 02267 137.945 20.866 24.593 1.00737.35 P ATOM 47597 O1P A 02267 136.887 21.907 24.587 1.00737.35 O ATOM 47598 O2P A 02267 137.767 19.636 23.778 1.00737.35 O ATOM 47599 O5* A 02267 139.315 21.555 24.161 1.00737.35 O ATOM 47600 C5* A 02267 139.445 22.186 22.891 1.00737.35 C ATOM 47601 C4* A 02267 140.315 23.417 23.001 1.00737.35 C ATOM 47602 O4* A 02267 139.720 24.335 23.956 1.00737.35 O ATOM 47603 C3* A 02267 141.730 23.197 23.518 1.00737.35 C ATOM 47604 O3* A 02267 142.591 22.805 22.449 1.00737.35 O ATOM 47605 C2* A 02267 142.084 24.575 24.076 1.00737.35 C ATOM 47606 O2* A 02267 142.498 25.486 23.078 1.00737.35 O ATOM 47607 C1* A 02267 140.742 25.022 24.660 1.00737.35 C ATOM 47608 N9 A 02267 140.590 24.735 26.088 1.00737.35 N ATOM 47609 C8 A 02267 140.564 23.506 26.706 1.00737.35 C ATOM 47610 N7 A 02267 140.417 23.573 28.006 1.00737.35 N ATOM 47611 C5 A 02267 140.341 24.933 28.265 1.00737.35 C ATOM 47612 C6 A 02267 140.182 25.662 29.457 1.00737.35 C ATOM 47613 N6 A 02267 140.070 25.097 30.661 1.00737.35 N ATOM 47614 N1 A 02267 140.143 27.010 29.369 1.00737.35 N ATOM 47615 C2 A 02267 140.258 27.575 28.162 1.00737.35 C ATOM 47616 N3 A 02267 140.410 27.000 26.970 1.00737.35 N ATOM 47617 C4 A 02267 140.447 25.661 27.092 1.00737.35 C ATOM 47618 P G 02268 144.087 22.303 22.763 1.00737.35 P ATOM 47619 O1P G 02268 144.851 23.480 23.254 1.00737.35 O ATOM 47620 O2P G 02268 144.574 21.564 21.570 1.00737.35 O ATOM 47621 O5* G 02268 143.924 21.258 23.957 1.00737.35 O ATOM 47622 C5* G 02268 144.417 21.552 25.263 1.00737.35 C ATOM 47623 C4* G 02268 145.383 20.481 25.720 1.00737.35 C ATOM 47624 O4* G 02268 144.674 19.232 25.916 1.00737.35 O ATOM 47625 C3* G 02268 146.496 20.128 24.746 1.00737.35 C ATOM 47626 O3* G 02268 147.588 21.036 24.842 1.00737.35 O ATOM 47627 C2* G 02268 146.891 18.728 25.205 1.00737.35 C ATOM 47628 O2* G 02268 147.761 18.734 26.322 1.00737.35 O ATOM 47629 C1* G 02268 145.533 18.143 25.606 1.00737.35 C ATOM 47630 N9 G 02268 144.914 17.336 24.556 1.00737.35 N ATOM 47631 C8 G 02268 143.789 17.638 23.824 1.00737.35 C ATOM 47632 N7 G 02268 143.480 16.714 22.955 1.00737.35 N ATOM 47633 C5 G 02268 144.461 15.743 23.119 1.00737.35 C ATOM 47634 C6 G 02268 144.651 14.509 22.451 1.00737.35 C ATOM 47635 O6 G 02268 143.971 14.008 21.550 1.00737.35 O ATOM 47636 N1 G 02268 145.770 13.836 22.930 1.00737.35 N ATOM 47637 C2 G 02268 146.601 14.290 23.922 1.00737.35 C ATOM 47638 N2 G 02268 147.632 13.494 24.242 1.00737.35 N ATOM 47639 N3 G 02268 146.436 15.441 24.554 1.00737.35 N ATOM 47640 C4 G 02268 145.353 16.111 24.104 1.00737.35 C ATOM 47641 P G 02269 148.310 21.557 23.502 1.00737.35 P ATOM 47642 O1P G 02269 149.573 22.226 23.915 1.00737.35 O ATOM 47643 O2P G 02269 147.314 22.307 22.697 1.00737.35 O ATOM 47644 O5* G 02269 148.680 20.221 22.713 1.00737.35 O ATOM 47645 C5* G 02269 149.866 19.486 23.018 1.00737.35 C ATOM 47646 C4* G 02269 150.045 18.346 22.038 1.00737.35 C ATOM 47647 O4* G 02269 148.979 17.377 22.221 1.00737.35 O ATOM 47648 C3* G 02269 149.967 18.723 20.566 1.00737.35 C ATOM 47649 O3* G 02269 151.225 19.199 20.093 1.00737.35 O ATOM 47650 C2* G 02269 149.574 17.403 19.915 1.00737.35 C ATOM 47651 O2* G 02269 150.671 16.534 19.712 1.00737.35 O ATOM 47652 C1* G 02269 148.632 16.810 20.966 1.00737.35 C ATOM 47653 N9 G 02269 147.217 17.077 20.711 1.00737.35 N ATOM 47654 C8 G 02269 146.447 18.072 21.266 1.00737.35 C ATOM 47655 N7 G 02269 145.211 18.055 20.850 1.00737.35 N ATOM 47656 C5 G 02269 145.159 16.987 19.965 1.00737.35 C ATOM 47657 C6 G 02269 144.074 16.479 19.201 1.00737.35 C ATOM 47658 O6 G 02269 142.905 16.883 19.157 1.00737.35 O ATOM 47659 N1 G 02269 144.461 15.386 18.431 1.00737.35 N ATOM 47660 C2 G 02269 145.724 14.846 18.400 1.00737.35 C ATOM 47661 N2 G 02269 145.895 13.790 17.587 1.00737.35 N ATOM 47662 N3 G 02269 146.741 15.308 19.109 1.00737.35 N ATOM 47663 C4 G 02269 146.390 16.372 19.865 1.00737.35 C ATOM 47664 P U 02270 151.274 20.272 18.897 1.00737.35 P ATOM 47665 O1P U 02270 152.693 20.654 18.676 1.00737.35 O ATOM 47666 O2P U 02270 150.271 21.327 19.193 1.00737.35 O ATOM 47667 O5* U 02270 150.771 19.456 17.623 1.00737.35 O ATOM 47668 C5* U 02270 151.522 18.356 17.112 1.00737.35 C ATOM 47669 C4* U 02270 150.689 17.556 16.136 1.00737.35 C ATOM 47670 O4* U 02270 149.529 17.021 16.827 1.00737.35 O ATOM 47671 C3* U 02270 150.107 18.337 14.967 1.00737.35 C ATOM 47672 O3* U 02270 151.050 18.444 13.903 1.00737.35 O ATOM 47673 C2* U 02270 148.904 17.486 14.580 1.00737.35 C ATOM 47674 O2* U 02270 149.241 16.369 13.780 1.00737.35 O ATOM 47675 C1* U 02270 148.412 17.012 15.950 1.00737.35 C ATOM 47676 N1 U 02270 147.354 17.862 16.522 1.00737.35 N ATOM 47677 C2 U 02270 146.039 17.564 16.202 1.00737.35 C ATOM 47678 O2 U 02270 145.720 16.634 15.478 1.00737.35 O ATOM 47679 N3 U 02270 145.103 18.398 16.765 1.00737.35 N ATOM 47680 C4 U 02270 145.338 19.474 17.593 1.00737.35 C ATOM 47681 O4 U 02270 144.384 20.131 18.018 1.00737.35 O ATOM 47682 C5 U 02270 146.717 19.719 17.877 1.00737.35 C ATOM 47683 C6 U 02270 147.655 18.928 17.346 1.00737.35 C ATOM 47684 P C 02271 150.879 19.595 12.793 1.00737.35 P ATOM 47685 O1P C 02271 152.130 19.653 11.993 1.00737.35 O ATOM 47686 O2P C 02271 150.391 20.820 13.478 1.00737.35 O ATOM 47687 O5* C 02271 149.707 19.055 11.855 1.00737.35 O ATOM 47688 C5* C 02271 149.900 17.910 11.027 1.00737.35 C ATOM 47689 C4* C 02271 148.589 17.479 10.410 1.00737.35 C ATOM 47690 O4* C 02271 147.668 17.094 11.462 1.00737.35 O ATOM 47691 C3* C 02271 147.840 18.546 9.623 1.00737.35 C ATOM 47692 O3* C 02271 148.319 18.621 8.282 1.00737.35 O ATOM 47693 C2* C 02271 146.401 18.045 9.686 1.00737.35 C ATOM 47694 O2* C 02271 146.124 17.035 8.736 1.00737.35 O ATOM 47695 C1* C 02271 146.345 17.457 11.098 1.00737.35 C ATOM 47696 N1 C 02271 145.813 18.392 12.111 1.00737.35 N ATOM 47697 C2 C 02271 144.432 18.401 12.372 1.00737.35 C ATOM 47698 O2 C 02271 143.690 17.628 11.742 1.00737.35 O ATOM 47699 N3 C 02271 143.942 19.252 13.303 1.00737.35 N ATOM 47700 C4 C 02271 144.768 20.071 13.962 1.00737.35 C ATOM 47701 N4 C 02271 144.237 20.889 14.874 1.00737.35 N ATOM 47702 C5 C 02271 146.170 20.086 13.713 1.00737.35 C ATOM 47703 C6 C 02271 146.646 19.239 12.791 1.00737.35 C ATOM 47704 P A 02272 148.168 19.993 7.456 1.00737.35 P ATOM 47705 O1P A 02272 148.786 19.796 6.119 1.00737.35 O ATOM 47706 O2P A 02272 148.645 21.097 8.330 1.00737.35 O ATOM 47707 O5* A 02272 146.594 20.148 7.256 1.00737.35 O ATOM 47708 C5* A 02272 146.002 21.429 7.037 1.00737.35 C ATOM 47709 C4* A 02272 144.497 21.307 6.986 1.00737.35 C ATOM 47710 O4* A 02272 144.035 20.586 8.158 1.00737.35 O ATOM 47711 C3* A 02272 143.737 22.625 7.016 1.00737.35 C ATOM 47712 O3* A 02272 143.609 23.168 5.704 1.00737.35 O ATOM 47713 C2* A 02272 142.393 22.213 7.602 1.00737.35 C ATOM 47714 O2* A 02272 141.523 21.638 6.648 1.00737.35 O ATOM 47715 C1* A 02272 142.820 21.152 8.621 1.00737.35 C ATOM 47716 N9 A 02272 143.045 21.681 9.968 1.00737.35 N ATOM 47717 C8 A 02272 144.240 22.069 10.528 1.00737.35 C ATOM 47718 N7 A 02272 144.131 22.499 11.761 1.00737.35 N ATOM 47719 C5 A 02272 142.775 22.387 12.035 1.00737.35 C ATOM 47720 C6 A 02272 142.017 22.684 13.179 1.00737.35 C ATOM 47721 N6 A 02272 142.542 23.172 14.306 1.00737.35 N ATOM 47722 N1 A 02272 140.686 22.464 13.126 1.00737.35 N ATOM 47723 C2 A 02272 140.162 21.973 11.994 1.00737.35 C ATOM 47724 N3 A 02272 140.773 21.654 10.853 1.00737.35 N ATOM 47725 C4 A 02272 142.093 21.887 10.939 1.00737.35 C ATOM 47726 P C 02273 143.508 24.763 5.504 1.00737.35 P ATOM 47727 O1P C 02273 143.648 25.054 4.054 1.00737.35 O ATOM 47728 O2P C 02273 144.439 25.401 6.470 1.00737.35 O ATOM 47729 O5* C 02273 142.020 25.119 5.949 1.00737.35 O ATOM 47730 C5* C 02273 140.900 24.715 5.162 1.00737.35 C ATOM 47731 C4* C 02273 139.614 24.933 5.926 1.00737.35 C ATOM 47732 O4* C 02273 139.636 24.122 7.130 1.00737.35 O ATOM 47733 C3* C 02273 139.368 26.349 6.423 1.00737.35 C ATOM 47734 O3* C 02273 138.756 27.152 5.419 1.00737.35 O ATOM 47735 C2* C 02273 138.434 26.117 7.605 1.00737.35 C ATOM 47736 O2* C 02273 137.089 25.915 7.224 1.00737.35 O ATOM 47737 C1* C 02273 139.007 24.825 8.193 1.00737.35 C ATOM 47738 N1 C 02273 140.003 25.058 9.258 1.00737.35 N ATOM 47739 C2 C 02273 139.563 25.198 10.584 1.00737.35 C ATOM 47740 O2 C 02273 138.348 25.118 10.831 1.00737.35 O ATOM 47741 N3 C 02273 140.473 25.416 11.561 1.00737.35 N ATOM 47742 C4 C 02273 141.771 25.498 11.259 1.00737.35 C ATOM 47743 N4 C 02273 142.632 25.715 12.254 1.00737.35 N ATOM 47744 C5 C 02273 142.246 25.361 9.924 1.00737.35 C ATOM 47745 C6 C 02273 141.339 25.143 8.965 1.00737.35 C ATOM 47746 P C 02274 138.972 28.746 5.428 1.00737.35 P ATOM 47747 O1P C 02274 138.205 29.324 4.295 1.00737.35 O ATOM 47748 O2P C 02274 140.432 29.001 5.531 1.00737.35 O ATOM 47749 O5* C 02274 138.295 29.224 6.791 1.00737.35 O ATOM 47750 C5* C 02274 136.879 29.167 6.970 1.00737.35 C ATOM 47751 C4* C 02274 136.508 29.594 8.372 1.00737.35 C ATOM 47752 O4* C 02274 137.100 28.669 9.323 1.00737.35 O ATOM 47753 C3* C 02274 137.013 30.961 8.805 1.00737.35 C ATOM 47754 O3* C 02274 136.130 31.998 8.385 1.00737.35 O ATOM 47755 C2* C 02274 137.044 30.825 10.322 1.00737.35 C ATOM 47756 O2* C 02274 135.774 30.996 10.922 1.00737.35 O ATOM 47757 C1* C 02274 137.504 29.376 10.488 1.00737.35 C ATOM 47758 N1 C 02274 138.966 29.236 10.648 1.00737.35 N ATOM 47759 C2 C 02274 139.554 29.595 11.875 1.00737.35 C ATOM 47760 O2 C 02274 138.834 30.029 12.790 1.00737.35 O ATOM 47761 N3 C 02274 140.890 29.459 12.028 1.00737.35 N ATOM 47762 C4 C 02274 141.638 28.997 11.025 1.00737.35 C ATOM 47763 N4 C 02274 142.953 28.881 11.227 1.00737.35 N ATOM 47764 C5 C 02274 141.072 28.631 9.770 1.00737.35 C ATOM 47765 C6 C 02274 139.746 28.765 9.625 1.00737.35 C ATOM 47766 P U 02275 136.727 33.400 7.863 1.00737.35 P ATOM 47767 O1P U 02275 135.815 33.888 6.799 1.00737.35 O ATOM 47768 O2P U 02275 138.175 33.232 7.565 1.00737.35 O ATOM 47769 O5* U 02275 136.590 34.387 9.109 1.00737.35 O ATOM 47770 C5* U 02275 137.058 34.013 10.405 1.00737.35 C ATOM 47771 C4* U 02275 137.952 35.092 10.973 1.00737.35 C ATOM 47772 O4* U 02275 139.135 35.215 10.139 1.00737.35 O ATOM 47773 C3* U 02275 137.362 36.494 11.008 1.00737.35 C ATOM 47774 O3* U 02275 136.591 36.697 12.190 1.00737.35 O ATOM 47775 C2* U 02275 138.611 37.371 11.004 1.00737.35 C ATOM 47776 O2* U 02275 139.203 37.504 12.281 1.00737.35 O ATOM 47777 C1* U 02275 139.542 36.572 10.085 1.00737.35 C ATOM 47778 N1 U 02275 139.515 37.016 8.681 1.00737.35 N ATOM 47779 C2 U 02275 140.407 38.009 8.298 1.00737.35 C ATOM 47780 O2 U 02275 141.204 38.527 9.067 1.00737.35 O ATOM 47781 N3 U 02275 140.329 38.377 6.978 1.00737.35 N ATOM 47782 C4 U 02275 139.476 37.871 6.020 1.00737.35 C ATOM 47783 O4 U 02275 139.529 38.308 4.868 1.00737.35 O ATOM 47784 C5 U 02275 138.587 36.852 6.490 1.00737.35 C ATOM 47785 C6 U 02275 138.635 36.470 7.769 1.00737.35 C ATOM 47786 P C 02276 135.217 37.527 12.113 1.00737.35 P ATOM 47787 O1P C 02276 134.143 36.573 11.739 1.00737.35 O ATOM 47788 O2P C 02276 135.443 38.739 11.282 1.00737.35 O ATOM 47789 O5* C 02276 134.965 38.001 13.615 1.00737.35 O ATOM 47790 C5* C 02276 134.757 37.057 14.662 1.00737.35 C ATOM 47791 C4* C 02276 135.163 37.651 15.994 1.00737.35 C ATOM 47792 O4* C 02276 136.583 37.951 15.963 1.00737.35 O ATOM 47793 C3* C 02276 134.502 38.973 16.356 1.00737.35 C ATOM 47794 O3* C 02276 133.237 38.761 16.981 1.00737.35 O ATOM 47795 C2* C 02276 135.517 39.591 17.309 1.00737.35 C ATOM 47796 O2* C 02276 135.431 39.076 18.623 1.00737.35 O ATOM 47797 C1* C 02276 136.835 39.161 16.666 1.00737.35 C ATOM 47798 N1 C 02276 137.381 40.152 15.716 1.00737.35 N ATOM 47799 C2 C 02276 138.153 41.218 16.211 1.00737.35 C ATOM 47800 O2 C 02276 138.359 41.302 17.434 1.00737.35 O ATOM 47801 N3 C 02276 138.655 42.128 15.344 1.00737.35 N ATOM 47802 C4 C 02276 138.412 42.007 14.036 1.00737.35 C ATOM 47803 N4 C 02276 138.926 42.929 13.218 1.00737.35 N ATOM 47804 C5 C 02276 137.633 40.939 13.506 1.00737.35 C ATOM 47805 C6 C 02276 137.143 40.044 14.374 1.00737.35 C ATOM 47806 P A 02277 132.118 39.915 16.933 1.00737.35 P ATOM 47807 O1P A 02277 130.870 39.342 17.499 1.00737.35 O ATOM 47808 O2P A 02277 132.103 40.505 15.570 1.00737.35 O ATOM 47809 O5* A 02277 132.658 41.023 17.948 1.00737.35 O ATOM 47810 C5* A 02277 132.844 40.723 19.330 1.00737.35 C ATOM 47811 C4* A 02277 133.209 41.973 20.097 1.00737.35 C ATOM 47812 O4* A 02277 134.461 42.503 19.581 1.00737.35 O ATOM 47813 C3* A 02277 132.239 43.137 19.981 1.00737.35 C ATOM 47814 O3* A 02277 131.169 43.011 20.914 1.00737.35 O ATOM 47815 C2* A 02277 133.127 44.331 20.309 1.00737.35 C ATOM 47816 O2* A 02277 133.324 44.514 21.698 1.00737.35 O ATOM 47817 C1* A 02277 134.445 43.920 19.648 1.00737.35 C ATOM 47818 N9 A 02277 134.603 44.454 18.292 1.00737.35 N ATOM 47819 C8 A 02277 134.471 43.791 17.095 1.00737.35 C ATOM 47820 N7 A 02277 134.671 44.551 16.045 1.00737.35 N ATOM 47821 C5 A 02277 134.952 45.798 16.586 1.00737.35 C ATOM 47822 C6 A 02277 135.254 47.039 15.996 1.00737.35 C ATOM 47823 N6 A 02277 135.327 47.235 14.677 1.00737.35 N ATOM 47824 N1 A 02277 135.483 48.086 16.818 1.00737.35 N ATOM 47825 C2 A 02277 135.413 47.889 18.140 1.00737.35 C ATOM 47826 N3 A 02277 135.138 46.776 18.813 1.00737.35 N ATOM 47827 C4 A 02277 134.915 45.752 17.967 1.00737.35 C ATOM 47828 P A 02278 129.686 43.469 20.495 1.00737.35 P ATOM 47829 O1P A 02278 128.852 43.448 21.723 1.00737.35 O ATOM 47830 O2P A 02278 129.267 42.670 19.313 1.00737.35 O ATOM 47831 O5* A 02278 129.857 44.984 20.034 1.00737.35 O ATOM 47832 C5* A 02278 130.224 46.003 20.967 1.00737.35 C ATOM 47833 C4* A 02278 130.616 47.267 20.235 1.00737.35 C ATOM 47834 O4* A 02278 131.775 46.997 19.403 1.00737.35 O ATOM 47835 C3* A 02278 129.578 47.821 19.271 1.00737.35 C ATOM 47836 O3* A 02278 128.639 48.650 19.952 1.00737.35 O ATOM 47837 C2* A 02278 130.437 48.613 18.293 1.00737.35 C ATOM 47838 O2* A 02278 130.810 49.887 18.781 1.00737.35 O ATOM 47839 C1* A 02278 131.672 47.716 18.185 1.00737.35 C ATOM 47840 N9 A 02278 131.596 46.754 17.084 1.00737.35 N ATOM 47841 C8 A 02278 131.248 45.424 17.146 1.00737.35 C ATOM 47842 N7 A 02278 131.274 44.815 15.988 1.00737.35 N ATOM 47843 C5 A 02278 131.663 45.806 15.099 1.00737.35 C ATOM 47844 C6 A 02278 131.877 45.799 13.711 1.00737.35 C ATOM 47845 N6 A 02278 131.721 44.716 12.944 1.00737.35 N ATOM 47846 N1 A 02278 132.261 46.956 13.125 1.00737.35 N ATOM 47847 C2 A 02278 132.415 48.039 13.895 1.00737.35 C ATOM 47848 N3 A 02278 132.245 48.170 15.209 1.00737.35 N ATOM 47849 C4 A 02278 131.866 47.005 15.759 1.00737.35 C ATOM 47850 P G 02279 127.182 48.898 19.317 1.00737.35 P ATOM 47851 O1P G 02279 126.403 49.694 20.299 1.00737.35 O ATOM 47852 O2P G 02279 126.646 47.596 18.841 1.00737.35 O ATOM 47853 O5* G 02279 127.465 49.813 18.046 1.00737.35 O ATOM 47854 C5* G 02279 127.988 51.134 18.195 1.00737.35 C ATOM 47855 C4* G 02279 128.378 51.702 16.850 1.00737.35 C ATOM 47856 O4* G 02279 129.431 50.889 16.271 1.00737.35 O ATOM 47857 C3* G 02279 127.288 51.712 15.790 1.00737.35 C ATOM 47858 O3* G 02279 126.446 52.854 15.921 1.00737.35 O ATOM 47859 C2* G 02279 128.094 51.745 14.501 1.00737.35 C ATOM 47860 O2* G 02279 128.569 53.037 14.170 1.00737.35 O ATOM 47861 C1* G 02279 129.275 50.837 14.861 1.00737.35 C ATOM 47862 N9 G 02279 129.066 49.444 14.466 1.00737.35 N ATOM 47863 C8 G 02279 128.704 48.393 15.275 1.00737.35 C ATOM 47864 N7 G 02279 128.594 47.264 14.628 1.00737.35 N ATOM 47865 C5 G 02279 128.900 47.586 13.314 1.00737.35 C ATOM 47866 C6 G 02279 128.947 46.770 12.156 1.00737.35 C ATOM 47867 O6 G 02279 128.720 45.556 12.055 1.00737.35 O ATOM 47868 N1 G 02279 129.302 47.504 11.028 1.00737.35 N ATOM 47869 C2 G 02279 129.579 48.850 11.015 1.00737.35 C ATOM 47870 N2 G 02279 129.900 49.378 9.826 1.00737.35 N ATOM 47871 N3 G 02279 129.539 49.622 12.089 1.00737.35 N ATOM 47872 C4 G 02279 129.195 48.929 13.195 1.00737.35 C ATOM 47873 P A 02280 124.963 52.827 15.298 1.00737.35 P ATOM 47874 O1P A 02280 124.299 54.113 15.632 1.00737.35 O ATOM 47875 O2P A 02280 124.326 51.547 15.705 1.00737.35 O ATOM 47876 O5* A 02280 125.208 52.779 13.725 1.00737.35 O ATOM 47877 C5* A 02280 125.748 53.904 13.032 1.00737.35 C ATOM 47878 C4* A 02280 125.738 53.661 11.538 1.00737.35 C ATOM 47879 O4* A 02280 126.658 52.589 11.210 1.00737.35 O ATOM 47880 C3* A 02280 124.412 53.210 10.949 1.00737.35 C ATOM 47881 O3* A 02280 123.562 54.326 10.701 1.00737.35 O ATOM 47882 C2* A 02280 124.850 52.523 9.660 1.00737.35 C ATOM 47883 O2* A 02280 125.095 53.429 8.603 1.00737.35 O ATOM 47884 C1* A 02280 126.162 51.864 10.094 1.00737.35 C ATOM 47885 N9 A 02280 126.022 50.456 10.475 1.00737.35 N ATOM 47886 C8 A 02280 125.808 49.933 11.727 1.00737.35 C ATOM 47887 N7 A 02280 125.730 48.623 11.746 1.00737.35 N ATOM 47888 C5 A 02280 125.903 48.259 10.418 1.00737.35 C ATOM 47889 C6 A 02280 125.927 47.008 9.775 1.00737.35 C ATOM 47890 N6 A 02280 125.767 45.846 10.413 1.00737.35 N ATOM 47891 N1 A 02280 126.117 46.994 8.438 1.00737.35 N ATOM 47892 C2 A 02280 126.277 48.160 7.800 1.00737.35 C ATOM 47893 N3 A 02280 126.278 49.397 8.294 1.00737.35 N ATOM 47894 C4 A 02280 126.083 49.380 9.623 1.00737.35 C ATOM 47895 P C 02281 121.969 54.167 10.866 1.00737.35 P ATOM 47896 O1P C 02281 121.364 55.523 10.804 1.00737.35 O ATOM 47897 O2P C 02281 121.719 53.307 12.051 1.00737.35 O ATOM 47898 O5* C 02281 121.529 53.355 9.568 1.00737.35 O ATOM 47899 C5* C 02281 121.434 53.999 8.296 1.00737.35 C ATOM 47900 C4* C 02281 120.954 53.023 7.248 1.00737.35 C ATOM 47901 O4* C 02281 121.957 51.993 7.047 1.00737.35 O ATOM 47902 C3* C 02281 119.689 52.253 7.590 1.00737.35 C ATOM 47903 O3* C 02281 118.525 53.017 7.291 1.00737.35 O ATOM 47904 C2* C 02281 119.814 51.019 6.703 1.00737.35 C ATOM 47905 O2* C 02281 119.413 51.249 5.367 1.00737.35 O ATOM 47906 C1* C 02281 121.320 50.758 6.756 1.00737.35 C ATOM 47907 N1 C 02281 121.715 49.770 7.780 1.00737.35 N ATOM 47908 C2 C 02281 121.724 48.404 7.440 1.00737.35 C ATOM 47909 O2 C 02281 121.408 48.066 6.288 1.00737.35 O ATOM 47910 N3 C 02281 122.080 47.495 8.375 1.00737.35 N ATOM 47911 C4 C 02281 122.417 47.894 9.604 1.00737.35 C ATOM 47912 N4 C 02281 122.759 46.959 10.493 1.00737.35 N ATOM 47913 C5 C 02281 122.416 49.269 9.976 1.00737.35 C ATOM 47914 C6 C 02281 122.063 50.164 9.044 1.00737.35 C ATOM 47915 P G 02282 117.172 52.768 8.125 1.00737.35 P ATOM 47916 O1P G 02282 116.194 53.817 7.736 1.00737.35 O ATOM 47917 O2P G 02282 117.543 52.609 9.555 1.00737.35 O ATOM 47918 O5* G 02282 116.645 51.364 7.590 1.00737.35 O ATOM 47919 C5* G 02282 116.123 51.233 6.270 1.00737.35 C ATOM 47920 C4* G 02282 115.838 49.783 5.955 1.00737.35 C ATOM 47921 O4* G 02282 117.081 49.032 5.951 1.00737.35 O ATOM 47922 C3* G 02282 114.960 49.041 6.949 1.00737.35 C ATOM 47923 O3* G 02282 113.577 49.285 6.702 1.00737.35 O ATOM 47924 C2* G 02282 115.340 47.587 6.689 1.00737.35 C ATOM 47925 O2* G 02282 114.686 47.033 5.563 1.00737.35 O ATOM 47926 C1* G 02282 116.839 47.710 6.412 1.00737.35 C ATOM 47927 N9 G 02282 117.665 47.468 7.593 1.00737.35 N ATOM 47928 C8 G 02282 118.085 48.395 8.521 1.00737.35 C ATOM 47929 N7 G 02282 118.807 47.872 9.474 1.00737.35 N ATOM 47930 C5 G 02282 118.871 46.523 9.159 1.00737.35 C ATOM 47931 C6 G 02282 119.518 45.451 9.830 1.00737.35 C ATOM 47932 O6 G 02282 120.183 45.481 10.871 1.00737.35 O ATOM 47933 N1 G 02282 119.326 44.243 9.165 1.00737.35 N ATOM 47934 C2 G 02282 118.609 44.083 8.007 1.00737.35 C ATOM 47935 N2 G 02282 118.542 42.835 7.520 1.00737.35 N ATOM 47936 N3 G 02282 118.001 45.072 7.373 1.00737.35 N ATOM 47937 C4 G 02282 118.174 46.256 7.999 1.00737.35 C ATOM 47938 P G 02283 112.495 48.976 7.851 1.00737.35 P ATOM 47939 O1P G 02283 111.158 49.382 7.347 1.00737.35 O ATOM 47940 O2P G 02283 113.004 49.552 9.123 1.00737.35 O ATOM 47941 O5* G 02283 112.520 47.388 7.975 1.00737.35 O ATOM 47942 C5* G 02283 111.853 46.720 9.043 1.00737.35 C ATOM 47943 C4* G 02283 111.803 45.235 8.777 1.00737.35 C ATOM 47944 O4* G 02283 113.148 44.742 8.544 1.00737.35 O ATOM 47945 C3* G 02283 111.279 44.378 9.919 1.00737.35 C ATOM 47946 O3* G 02283 109.856 44.317 9.897 1.00737.35 O ATOM 47947 C2* G 02283 111.908 43.021 9.618 1.00737.35 C ATOM 47948 O2* G 02283 111.204 42.289 8.636 1.00737.35 O ATOM 47949 C1* G 02283 113.276 43.433 9.073 1.00737.35 C ATOM 47950 N9 G 02283 114.332 43.444 10.084 1.00737.35 N ATOM 47951 C8 G 02283 114.724 44.505 10.868 1.00737.35 C ATOM 47952 N7 G 02283 115.699 44.207 11.683 1.00737.35 N ATOM 47953 C5 G 02283 115.968 42.869 11.425 1.00737.35 C ATOM 47954 C6 G 02283 116.926 41.996 12.003 1.00737.35 C ATOM 47955 O6 G 02283 117.756 42.239 12.887 1.00737.35 O ATOM 47956 N1 G 02283 116.857 40.723 11.449 1.00737.35 N ATOM 47957 C2 G 02283 115.981 40.336 10.466 1.00737.35 C ATOM 47958 N2 G 02283 116.071 39.058 10.062 1.00737.35 N ATOM 47959 N3 G 02283 115.083 41.138 9.916 1.00737.35 N ATOM 47960 C4 G 02283 115.133 42.382 10.441 1.00737.35 C ATOM 47961 P U 02284 109.047 44.047 11.260 1.00737.35 P ATOM 47962 O1P U 02284 107.598 44.015 10.938 1.00737.35 O ATOM 47963 O2P U 02284 109.551 45.002 12.283 1.00737.35 O ATOM 47964 O5* U 02284 109.494 42.579 11.691 1.00737.35 O ATOM 47965 C5* U 02284 109.043 42.007 12.917 1.00737.35 C ATOM 47966 C4* U 02284 109.436 40.550 12.993 1.00737.35 C ATOM 47967 O4* U 02284 110.876 40.431 12.854 1.00737.35 O ATOM 47968 C3* U 02284 109.129 39.870 14.318 1.00737.35 C ATOM 47969 O3* U 02284 107.788 39.391 14.340 1.00737.35 O ATOM 47970 C2* U 02284 110.132 38.724 14.335 1.00737.35 C ATOM 47971 O2* U 02284 109.712 37.605 13.576 1.00737.35 O ATOM 47972 C1* U 02284 111.350 39.370 13.669 1.00737.35 C ATOM 47973 N1 U 02284 112.331 39.910 14.626 1.00737.35 N ATOM 47974 C2 U 02284 113.328 39.059 15.081 1.00737.35 C ATOM 47975 O2 U 02284 113.429 37.896 14.721 1.00737.35 O ATOM 47976 N3 U 02284 114.208 39.621 15.973 1.00737.35 N ATOM 47977 C4 U 02284 114.197 40.916 16.449 1.00737.35 C ATOM 47978 O4 U 02284 115.058 41.274 17.249 1.00737.35 O ATOM 47979 C5 U 02284 113.138 41.733 15.934 1.00737.35 C ATOM 47980 C6 U 02284 112.265 41.215 15.066 1.00737.35 C ATOM 47981 P U 02285 106.702 40.095 15.296 1.00737.35 P ATOM 47982 O1P U 02285 105.499 39.225 15.347 1.00737.35 O ATOM 47983 O2P U 02285 106.568 41.507 14.851 1.00737.35 O ATOM 47984 O5* U 02285 107.383 40.099 16.737 1.00737.35 O ATOM 47985 C5* U 02285 107.605 38.884 17.451 1.00737.35 C ATOM 47986 C4* U 02285 106.797 38.876 18.729 1.00737.35 C ATOM 47987 O4* U 02285 106.979 37.605 19.407 1.00737.35 O ATOM 47988 C3* U 02285 107.190 39.915 19.768 1.00737.35 C ATOM 47989 O3* U 02285 106.572 41.168 19.487 1.00737.35 O ATOM 47990 C2* U 02285 106.667 39.293 21.058 1.00737.35 C ATOM 47991 O2* U 02285 105.281 39.498 21.253 1.00737.35 O ATOM 47992 C1* U 02285 106.941 37.806 20.813 1.00737.35 C ATOM 47993 N1 U 02285 108.209 37.333 21.394 1.00737.35 N ATOM 47994 C2 U 02285 108.202 36.926 22.722 1.00737.35 C ATOM 47995 O2 U 02285 107.200 36.942 23.420 1.00737.35 O ATOM 47996 N3 U 02285 109.415 36.499 23.203 1.00737.35 N ATOM 47997 C4 U 02285 110.609 36.435 22.514 1.00737.35 C ATOM 47998 O4 U 02285 111.617 36.025 23.089 1.00737.35 O ATOM 47999 C5 U 02285 110.537 36.872 21.154 1.00737.35 C ATOM 48000 C6 U 02285 109.373 37.295 20.652 1.00737.35 C ATOM 48001 P G 02286 107.092 42.503 20.220 1.00737.35 P ATOM 48002 O1P G 02286 106.754 42.403 21.663 1.00737.35 O ATOM 48003 O2P G 02286 106.600 43.660 19.430 1.00737.35 O ATOM 48004 O5* G 02286 108.678 42.446 20.069 1.00737.35 O ATOM 48005 C5* G 02286 109.508 43.411 20.715 1.00737.35 C ATOM 48006 C4* G 02286 110.903 42.862 20.903 1.00737.35 C ATOM 48007 O4* G 02286 111.478 42.550 19.607 1.00737.35 O ATOM 48008 C3* G 02286 111.900 43.821 21.535 1.00737.35 C ATOM 48009 O3* G 02286 111.799 43.795 22.957 1.00737.35 O ATOM 48010 C2* G 02286 113.232 43.271 21.043 1.00737.35 C ATOM 48011 O2* G 02286 113.680 42.154 21.787 1.00737.35 O ATOM 48012 C1* G 02286 112.870 42.835 19.621 1.00737.35 C ATOM 48013 N9 G 02286 113.147 43.852 18.610 1.00737.35 N ATOM 48014 C8 G 02286 112.231 44.593 17.899 1.00737.35 C ATOM 48015 N7 G 02286 112.783 45.427 17.060 1.00737.35 N ATOM 48016 C5 G 02286 114.147 45.227 17.224 1.00737.35 C ATOM 48017 C6 G 02286 115.250 45.848 16.583 1.00737.35 C ATOM 48018 O6 G 02286 115.241 46.727 15.709 1.00737.35 O ATOM 48019 N1 G 02286 116.461 45.351 17.049 1.00737.35 N ATOM 48020 C2 G 02286 116.597 44.379 18.012 1.00737.35 C ATOM 48021 N2 G 02286 117.854 44.033 18.330 1.00737.35 N ATOM 48022 N3 G 02286 115.577 43.791 18.617 1.00737.35 N ATOM 48023 C4 G 02286 114.391 44.261 18.177 1.00737.35 C ATOM 48024 P G 02287 112.368 45.027 23.822 1.00737.35 P ATOM 48025 O1P G 02287 113.848 45.039 23.697 1.00737.35 O ATOM 48026 O2P G 02287 111.746 44.945 25.168 1.00737.35 O ATOM 48027 O5* G 02287 111.793 46.321 23.089 1.00737.35 O ATOM 48028 C5* G 02287 112.115 47.629 23.557 1.00737.35 C ATOM 48029 C4* G 02287 112.374 48.552 22.391 1.00737.35 C ATOM 48030 O4* G 02287 111.192 48.607 21.547 1.00737.35 O ATOM 48031 C3* G 02287 112.644 50.003 22.752 1.00737.35 C ATOM 48032 O3* G 02287 114.017 50.193 23.086 1.00737.35 O ATOM 48033 C2* G 02287 112.259 50.731 21.471 1.00737.35 C ATOM 48034 O2* G 02287 113.268 50.689 20.481 1.00737.35 O ATOM 48035 C1* G 02287 111.046 49.914 21.014 1.00737.35 C ATOM 48036 N9 G 02287 109.772 50.464 21.468 1.00737.35 N ATOM 48037 C8 G 02287 109.025 50.054 22.549 1.00737.35 C ATOM 48038 N7 G 02287 107.927 50.743 22.704 1.00737.35 N ATOM 48039 C5 G 02287 107.946 51.662 21.664 1.00737.35 C ATOM 48040 C6 G 02287 107.015 52.674 21.317 1.00737.35 C ATOM 48041 O6 G 02287 105.952 52.971 21.878 1.00737.35 O ATOM 48042 N1 G 02287 107.424 53.380 20.190 1.00737.35 N ATOM 48043 C2 G 02287 108.580 53.144 19.487 1.00737.35 C ATOM 48044 N2 G 02287 108.799 53.934 18.427 1.00737.35 N ATOM 48045 N3 G 02287 109.456 52.203 19.800 1.00737.35 N ATOM 48046 C4 G 02287 109.078 51.505 20.891 1.00737.35 C ATOM 48047 P A 02288 114.468 51.490 23.920 1.00737.35 P ATOM 48048 O1P A 02288 113.512 51.689 25.039 1.00737.35 O ATOM 48049 O2P A 02288 114.693 52.587 22.945 1.00737.35 O ATOM 48050 O5* A 02288 115.878 51.083 24.542 1.00737.35 O ATOM 48051 C5* A 02288 116.817 50.314 23.797 1.00737.35 C ATOM 48052 C4* A 02288 117.997 49.946 24.664 1.00737.35 C ATOM 48053 O4* A 02288 117.525 49.291 25.871 1.00737.35 O ATOM 48054 C3* A 02288 118.972 48.953 24.052 1.00737.35 C ATOM 48055 O3* A 02288 119.923 49.611 23.219 1.00737.35 O ATOM 48056 C2* A 02288 119.623 48.334 25.283 1.00737.35 C ATOM 48057 O2* A 02288 120.654 49.132 25.828 1.00737.35 O ATOM 48058 C1* A 02288 118.441 48.279 26.257 1.00737.35 C ATOM 48059 N9 A 02288 117.736 46.995 26.251 1.00737.35 N ATOM 48060 C8 A 02288 116.783 46.553 25.365 1.00737.35 C ATOM 48061 N7 A 02288 116.334 45.350 25.627 1.00737.35 N ATOM 48062 C5 A 02288 117.037 44.971 26.762 1.00737.35 C ATOM 48063 C6 A 02288 117.018 43.800 27.540 1.00737.35 C ATOM 48064 N6 A 02288 116.233 42.752 27.281 1.00737.35 N ATOM 48065 N1 A 02288 117.844 43.741 28.607 1.00737.35 N ATOM 48066 C2 A 02288 118.632 44.791 28.866 1.00737.35 C ATOM 48067 N3 A 02288 118.740 45.945 28.212 1.00737.35 N ATOM 48068 C4 A 02288 117.907 45.974 27.157 1.00737.35 C ATOM 48069 P A 02289 120.467 48.879 21.895 1.00737.35 P ATOM 48070 O1P A 02289 121.417 49.795 21.216 1.00737.35 O ATOM 48071 O2P A 02289 119.290 48.363 21.151 1.00737.35 O ATOM 48072 O5* A 02289 121.282 47.630 22.453 1.00737.35 O ATOM 48073 C5* A 02289 122.532 47.805 23.120 1.00737.35 C ATOM 48074 C4* A 02289 123.035 46.484 23.655 1.00737.35 C ATOM 48075 O4* A 02289 122.118 45.995 24.667 1.00737.35 O ATOM 48076 C3* A 02289 123.119 45.349 22.644 1.00737.35 C ATOM 48077 O3* A 02289 124.340 45.402 21.915 1.00737.35 O ATOM 48078 C2* A 02289 123.037 44.116 23.536 1.00737.35 C ATOM 48079 O2* A 02289 124.271 43.785 24.140 1.00737.35 O ATOM 48080 C1* A 02289 122.043 44.579 24.604 1.00737.35 C ATOM 48081 N9 A 02289 120.659 44.201 24.317 1.00737.35 N ATOM 48082 C8 A 02289 119.729 44.886 23.572 1.00737.35 C ATOM 48083 N7 A 02289 118.566 44.287 23.495 1.00737.35 N ATOM 48084 C5 A 02289 118.740 43.127 24.238 1.00737.35 C ATOM 48085 C6 A 02289 117.874 42.060 24.544 1.00737.35 C ATOM 48086 N6 A 02289 116.611 41.990 24.122 1.00737.35 N ATOM 48087 N1 A 02289 118.358 41.059 25.310 1.00737.35 N ATOM 48088 C2 A 02289 119.626 41.131 25.733 1.00737.35 C ATOM 48089 N3 A 02289 120.535 42.079 25.515 1.00737.35 N ATOM 48090 C4 A 02289 120.022 43.061 24.751 1.00737.35 C ATOM 48091 P A 02290 124.387 44.866 20.399 1.00737.35 P ATOM 48092 O1P A 02290 125.772 45.039 19.889 1.00737.35 O ATOM 48093 O2P A 02290 123.255 45.490 19.667 1.00737.35 O ATOM 48094 O5* A 02290 124.090 43.307 20.532 1.00737.35 O ATOM 48095 C5* A 02290 125.023 42.432 21.163 1.00737.35 C ATOM 48096 C4* A 02290 124.438 41.046 21.298 1.00737.35 C ATOM 48097 O4* A 02290 123.278 41.095 22.169 1.00737.35 O ATOM 48098 C3* A 02290 123.916 40.418 20.014 1.00737.35 C ATOM 48099 O3* A 02290 124.967 39.795 19.282 1.00737.35 O ATOM 48100 C2* A 02290 122.909 39.402 20.540 1.00737.35 C ATOM 48101 O2* A 02290 123.510 38.200 20.986 1.00737.35 O ATOM 48102 C1* A 02290 122.310 40.153 21.731 1.00737.35 C ATOM 48103 N9 A 02290 121.077 40.871 21.406 1.00737.35 N ATOM 48104 C8 A 02290 120.941 42.147 20.914 1.00737.35 C ATOM 48105 N7 A 02290 119.695 42.509 20.721 1.00737.35 N ATOM 48106 C5 A 02290 118.960 41.399 21.110 1.00737.35 C ATOM 48107 C6 A 02290 117.579 41.144 21.146 1.00737.35 C ATOM 48108 N6 A 02290 116.651 42.030 20.770 1.00737.35 N ATOM 48109 N1 A 02290 117.173 39.933 21.589 1.00737.35 N ATOM 48110 C2 A 02290 118.102 39.049 21.966 1.00737.35 C ATOM 48111 N3 A 02290 119.427 39.168 21.980 1.00737.35 N ATOM 48112 C4 A 02290 119.798 40.382 21.535 1.00737.35 C ATOM 48113 P U 02291 124.892 39.733 17.677 1.00737.35 P ATOM 48114 O1P U 02291 126.088 39.005 17.184 1.00737.35 O ATOM 48115 O2P U 02291 124.617 41.107 17.186 1.00737.35 O ATOM 48116 O5* U 02291 123.604 38.840 17.383 1.00737.35 O ATOM 48117 C5* U 02291 123.550 37.474 17.793 1.00737.35 C ATOM 48118 C4* U 02291 122.306 36.810 17.246 1.00737.35 C ATOM 48119 O4* U 02291 121.130 37.448 17.812 1.00737.35 O ATOM 48120 C3* U 02291 122.106 36.922 15.744 1.00737.35 C ATOM 48121 O3* U 02291 122.837 35.915 15.051 1.00737.35 O ATOM 48122 C2* U 02291 120.600 36.734 15.604 1.00737.35 C ATOM 48123 O2* U 02291 120.201 35.378 15.647 1.00737.35 O ATOM 48124 C1* U 02291 120.085 37.465 16.849 1.00737.35 C ATOM 48125 N1 U 02291 119.702 38.864 16.592 1.00737.35 N ATOM 48126 C2 U 02291 118.398 39.113 16.183 1.00737.35 C ATOM 48127 O2 U 02291 117.565 38.233 16.032 1.00737.35 O ATOM 48128 N3 U 02291 118.107 40.435 15.955 1.00737.35 N ATOM 48129 C4 U 02291 118.958 41.512 16.091 1.00737.35 C ATOM 48130 O4 U 02291 118.545 42.645 15.844 1.00737.35 O ATOM 48131 C5 U 02291 120.281 41.176 16.517 1.00737.35 C ATOM 48132 C6 U 02291 120.601 39.898 16.746 1.00737.35 C ATOM 48133 P C 02292 123.619 36.287 13.696 1.00737.35 P ATOM 48134 O1P C 02292 124.328 35.070 13.225 1.00737.35 O ATOM 48135 O2P C 02292 124.389 37.533 13.949 1.00737.35 O ATOM 48136 O5* C 02292 122.459 36.632 12.660 1.00737.35 O ATOM 48137 C5* C 02292 121.630 35.604 12.119 1.00737.35 C ATOM 48138 C4* C 02292 120.935 36.091 10.867 1.00737.35 C ATOM 48139 O4* C 02292 120.011 37.159 11.209 1.00737.35 O ATOM 48140 C3* C 02292 121.838 36.699 9.805 1.00737.35 C ATOM 48141 O3* C 02292 122.419 35.691 8.984 1.00737.35 O ATOM 48142 C2* C 02292 120.872 37.589 9.031 1.00737.35 C ATOM 48143 O2* C 02292 120.097 36.875 8.086 1.00737.35 O ATOM 48144 C1* C 02292 119.969 38.109 10.154 1.00737.35 C ATOM 48145 N1 C 02292 120.380 39.427 10.684 1.00737.35 N ATOM 48146 C2 C 02292 119.900 40.590 10.059 1.00737.35 C ATOM 48147 O2 C 02292 119.143 40.485 9.076 1.00737.35 O ATOM 48148 N3 C 02292 120.270 41.799 10.539 1.00737.35 N ATOM 48149 C4 C 02292 121.084 41.877 11.595 1.00737.35 C ATOM 48150 N4 C 02292 121.421 43.092 12.035 1.00737.35 N ATOM 48151 C5 C 02292 121.588 40.713 12.247 1.00737.35 C ATOM 48152 C6 C 02292 121.215 39.522 11.763 1.00737.35 C ATOM 48153 P G 02293 123.860 35.938 8.318 1.00737.35 P ATOM 48154 O1P G 02293 124.303 34.666 7.689 1.00737.35 O ATOM 48155 O2P G 02293 124.726 36.589 9.335 1.00737.35 O ATOM 48156 O5* G 02293 123.575 37.000 7.164 1.00737.35 O ATOM 48157 C5* G 02293 122.904 36.613 5.964 1.00737.35 C ATOM 48158 C4* G 02293 122.681 37.815 5.074 1.00737.35 C ATOM 48159 O4* G 02293 121.772 38.740 5.729 1.00737.35 O ATOM 48160 C3* G 02293 123.912 38.657 4.767 1.00737.35 C ATOM 48161 O3* G 02293 124.658 38.104 3.687 1.00737.35 O ATOM 48162 C2* G 02293 123.295 40.003 4.405 1.00737.35 C ATOM 48163 O2* G 02293 122.819 40.057 3.075 1.00737.35 O ATOM 48164 C1* G 02293 122.115 40.073 5.379 1.00737.35 C ATOM 48165 N9 G 02293 122.416 40.813 6.603 1.00737.35 N ATOM 48166 C8 G 02293 122.928 40.311 7.778 1.00737.35 C ATOM 48167 N7 G 02293 123.090 41.224 8.697 1.00737.35 N ATOM 48168 C5 G 02293 122.659 42.399 8.096 1.00737.35 C ATOM 48169 C6 G 02293 122.600 43.724 8.602 1.00737.35 C ATOM 48170 O6 G 02293 122.925 44.138 9.721 1.00737.35 O ATOM 48171 N1 G 02293 122.098 44.610 7.655 1.00737.35 N ATOM 48172 C2 G 02293 121.704 44.272 6.384 1.00737.35 C ATOM 48173 N2 G 02293 121.247 45.273 5.618 1.00737.35 N ATOM 48174 N3 G 02293 121.755 43.041 5.901 1.00737.35 N ATOM 48175 C4 G 02293 122.241 42.163 6.803 1.00737.35 C ATOM 48176 P U 02294 126.229 38.420 3.557 1.00737.35 P ATOM 48177 O1P U 02294 126.768 37.627 2.425 1.00737.35 O ATOM 48178 O2P U 02294 126.832 38.273 4.907 1.00737.35 O ATOM 48179 O5* U 02294 126.278 39.965 3.162 1.00737.35 O ATOM 48180 C5* U 02294 125.767 40.413 1.907 1.00737.35 C ATOM 48181 C4* U 02294 125.791 41.925 1.839 1.00737.35 C ATOM 48182 O4* U 02294 124.915 42.469 2.860 1.00737.35 O ATOM 48183 C3* U 02294 127.133 42.585 2.109 1.00737.35 C ATOM 48184 O3* U 02294 127.940 42.608 0.933 1.00737.35 O ATOM 48185 C2* U 02294 126.721 43.986 2.544 1.00737.35 C ATOM 48186 O2* U 02294 126.427 44.843 1.459 1.00737.35 O ATOM 48187 C1* U 02294 125.444 43.696 3.337 1.00737.35 C ATOM 48188 N1 U 02294 125.664 43.589 4.790 1.00737.35 N ATOM 48189 C2 U 02294 125.635 44.760 5.539 1.00737.35 C ATOM 48190 O2 U 02294 125.439 45.859 5.047 1.00737.35 O ATOM 48191 N3 U 02294 125.848 44.590 6.886 1.00737.35 N ATOM 48192 C4 U 02294 126.079 43.403 7.549 1.00737.35 C ATOM 48193 O4 U 02294 126.248 43.414 8.771 1.00737.35 O ATOM 48194 C5 U 02294 126.095 42.244 6.713 1.00737.35 C ATOM 48195 C6 U 02294 125.892 42.372 5.399 1.00737.35 C ATOM 48196 P C 02295 129.537 42.747 1.065 1.00737.35 P ATOM 48197 O1P C 02295 130.114 42.771 -0.303 1.00737.35 O ATOM 48198 O2P C 02295 130.000 41.725 2.039 1.00737.35 O ATOM 48199 O5* C 02295 129.740 44.187 1.717 1.00737.35 O ATOM 48200 C5* C 02295 130.969 44.547 2.345 1.00737.35 C ATOM 48201 C4* C 02295 130.872 45.943 2.915 1.00737.35 C ATOM 48202 O4* C 02295 129.717 46.025 3.792 1.00737.35 O ATOM 48203 C3* C 02295 132.042 46.376 3.784 1.00737.35 C ATOM 48204 O3* C 02295 133.105 46.895 2.991 1.00737.35 O ATOM 48205 C2* C 02295 131.411 47.450 4.664 1.00737.35 C ATOM 48206 O2* C 02295 131.315 48.707 4.026 1.00737.35 O ATOM 48207 C1* C 02295 130.009 46.874 4.889 1.00737.35 C ATOM 48208 N1 C 02295 129.877 46.094 6.139 1.00737.35 N ATOM 48209 C2 C 02295 129.572 46.773 7.332 1.00737.35 C ATOM 48210 O2 C 02295 129.430 48.008 7.310 1.00737.35 O ATOM 48211 N3 C 02295 129.444 46.064 8.477 1.00737.35 N ATOM 48212 C4 C 02295 129.608 44.740 8.468 1.00737.35 C ATOM 48213 N4 C 02295 129.471 44.084 9.622 1.00737.35 N ATOM 48214 C5 C 02295 129.922 44.028 7.272 1.00737.35 C ATOM 48215 C6 C 02295 130.045 44.736 6.143 1.00737.35 C ATOM 48216 P U 02296 134.614 46.833 3.541 1.00737.35 P ATOM 48217 O1P U 02296 135.497 47.350 2.463 1.00737.35 O ATOM 48218 O2P U 02296 134.860 45.477 4.101 1.00737.35 O ATOM 48219 O5* U 02296 134.628 47.877 4.745 1.00737.35 O ATOM 48220 C5* U 02296 134.621 49.282 4.502 1.00737.35 C ATOM 48221 C4* U 02296 134.733 50.043 5.804 1.00737.35 C ATOM 48222 O4* U 02296 133.546 49.811 6.605 1.00737.35 O ATOM 48223 C3* U 02296 135.886 49.631 6.707 1.00737.35 C ATOM 48224 O3* U 02296 137.088 50.296 6.336 1.00737.35 O ATOM 48225 C2* U 02296 135.394 50.069 8.080 1.00737.35 C ATOM 48226 O2* U 02296 135.588 51.449 8.326 1.00737.35 O ATOM 48227 C1* U 02296 133.897 49.771 7.981 1.00737.35 C ATOM 48228 N1 U 02296 133.516 48.455 8.526 1.00737.35 N ATOM 48229 C2 U 02296 133.249 48.368 9.884 1.00737.35 C ATOM 48230 O2 U 02296 133.313 49.326 10.642 1.00737.35 O ATOM 48231 N3 U 02296 132.902 47.116 10.329 1.00737.35 N ATOM 48232 C4 U 02296 132.796 45.966 9.575 1.00737.35 C ATOM 48233 O4 U 02296 132.474 44.910 10.122 1.00737.35 O ATOM 48234 C5 U 02296 133.088 46.133 8.184 1.00737.35 C ATOM 48235 C6 U 02296 133.428 47.339 7.719 1.00737.35 C ATOM 48236 P G 02297 138.449 49.455 6.174 1.00737.35 P ATOM 48237 O1P G 02297 139.552 50.430 5.978 1.00737.35 O ATOM 48238 O2P G 02297 138.221 48.394 5.160 1.00737.35 O ATOM 48239 O5* G 02297 138.645 48.754 7.593 1.00737.35 O ATOM 48240 C5* G 02297 138.956 49.520 8.753 1.00737.35 C ATOM 48241 C4* G 02297 138.940 48.641 9.983 1.00737.35 C ATOM 48242 O4* G 02297 137.595 48.125 10.185 1.00737.35 O ATOM 48243 C3* G 02297 139.811 47.395 9.914 1.00737.35 C ATOM 48244 O3* G 02297 141.156 47.685 10.281 1.00737.35 O ATOM 48245 C2* G 02297 139.142 46.478 10.931 1.00737.35 C ATOM 48246 O2* G 02297 139.504 46.773 12.265 1.00737.35 O ATOM 48247 C1* G 02297 137.664 46.809 10.710 1.00737.35 C ATOM 48248 N9 G 02297 137.003 45.902 9.775 1.00737.35 N ATOM 48249 C8 G 02297 136.995 45.982 8.402 1.00737.35 C ATOM 48250 N7 G 02297 136.320 45.020 7.836 1.00737.35 N ATOM 48251 C5 G 02297 135.850 44.257 8.897 1.00737.35 C ATOM 48252 C6 G 02297 135.056 43.081 8.903 1.00737.35 C ATOM 48253 O6 G 02297 134.593 42.458 7.940 1.00737.35 O ATOM 48254 N1 G 02297 134.811 42.638 10.199 1.00737.35 N ATOM 48255 C2 G 02297 135.271 43.244 11.341 1.00737.35 C ATOM 48256 N2 G 02297 134.925 42.662 12.500 1.00737.35 N ATOM 48257 N3 G 02297 136.011 44.339 11.350 1.00737.35 N ATOM 48258 C4 G 02297 136.262 44.790 10.101 1.00737.35 C ATOM 48259 P U 02298 142.370 47.014 9.463 1.00737.35 P ATOM 48260 O1P U 02298 143.102 48.113 8.785 1.00737.35 O ATOM 48261 O2P U 02298 141.847 45.875 8.661 1.00737.35 O ATOM 48262 O5* U 02298 143.316 46.417 10.598 1.00737.35 O ATOM 48263 C5* U 02298 143.798 47.236 11.660 1.00737.35 C ATOM 48264 C4* U 02298 145.174 46.784 12.088 1.00737.35 C ATOM 48265 O4* U 02298 146.037 46.734 10.924 1.00737.35 O ATOM 48266 C3* U 02298 145.877 47.720 13.060 1.00737.35 C ATOM 48267 O3* U 02298 145.545 47.396 14.409 1.00737.35 O ATOM 48268 C2* U 02298 147.352 47.430 12.785 1.00737.35 C ATOM 48269 O2* U 02298 147.831 46.290 13.471 1.00737.35 O ATOM 48270 C1* U 02298 147.343 47.156 11.279 1.00737.35 C ATOM 48271 N1 U 02298 147.704 48.316 10.445 1.00737.35 N ATOM 48272 C2 U 02298 149.048 48.513 10.152 1.00737.35 C ATOM 48273 O2 U 02298 149.932 47.780 10.565 1.00737.35 O ATOM 48274 N3 U 02298 149.313 49.599 9.358 1.00737.35 N ATOM 48275 C4 U 02298 148.399 50.493 8.838 1.00737.35 C ATOM 48276 O4 U 02298 148.794 51.405 8.113 1.00737.35 O ATOM 48277 C5 U 02298 147.040 50.232 9.190 1.00737.35 C ATOM 48278 C6 U 02298 146.744 49.182 9.962 1.00737.35 C ATOM 48279 P A 02299 144.192 47.970 15.067 1.00737.35 P ATOM 48280 O1P A 02299 143.735 49.138 14.266 1.00737.35 O ATOM 48281 O2P A 02299 144.427 48.130 16.524 1.00737.35 O ATOM 48282 O5* A 02299 143.148 46.786 14.851 1.00737.35 O ATOM 48283 C5* A 02299 141.973 46.672 15.655 1.00737.35 C ATOM 48284 C4* A 02299 141.579 45.219 15.796 1.00737.35 C ATOM 48285 O4* A 02299 141.341 44.667 14.472 1.00737.35 O ATOM 48286 C3* A 02299 142.649 44.323 16.408 1.00737.35 C ATOM 48287 O3* A 02299 142.521 44.285 17.827 1.00737.35 O ATOM 48288 C2* A 02299 142.327 42.960 15.808 1.00737.35 C ATOM 48289 O2* A 02299 141.296 42.279 16.499 1.00737.35 O ATOM 48290 C1* A 02299 141.839 43.341 14.407 1.00737.35 C ATOM 48291 N9 A 02299 142.836 43.278 13.332 1.00737.35 N ATOM 48292 C8 A 02299 142.763 43.925 12.122 1.00737.35 C ATOM 48293 N7 A 02299 143.784 43.692 11.333 1.00737.35 N ATOM 48294 C5 A 02299 144.585 42.833 12.070 1.00737.35 C ATOM 48295 C6 A 02299 145.817 42.218 11.789 1.00737.35 C ATOM 48296 N6 A 02299 146.481 42.381 10.641 1.00737.35 N ATOM 48297 N1 A 02299 146.350 41.418 12.737 1.00737.35 N ATOM 48298 C2 A 02299 145.684 41.255 13.883 1.00737.35 C ATOM 48299 N3 A 02299 144.522 41.777 14.267 1.00737.35 N ATOM 48300 C4 A 02299 144.016 42.568 13.305 1.00737.35 C ATOM 48301 P G 02300 143.341 45.324 18.740 1.00737.35 P ATOM 48302 O1P G 02300 144.550 45.756 17.991 1.00737.35 O ATOM 48303 O2P G 02300 143.494 44.723 20.090 1.00737.35 O ATOM 48304 O5* G 02300 142.358 46.574 18.860 1.00737.35 O ATOM 48305 C5* G 02300 142.600 47.615 19.804 1.00737.35 C ATOM 48306 C4* G 02300 141.375 48.487 19.947 1.00737.35 C ATOM 48307 O4* G 02300 141.062 49.080 18.658 1.00737.35 O ATOM 48308 C3* G 02300 140.096 47.771 20.363 1.00737.35 C ATOM 48309 O3* G 02300 140.026 47.673 21.784 1.00737.35 O ATOM 48310 C2* G 02300 139.009 48.685 19.804 1.00737.35 C ATOM 48311 O2* G 02300 138.715 49.781 20.648 1.00737.35 O ATOM 48312 C1* G 02300 139.659 49.191 18.514 1.00737.35 C ATOM 48313 N9 G 02300 139.268 48.524 17.272 1.00737.35 N ATOM 48314 C8 G 02300 139.210 49.106 16.029 1.00737.35 C ATOM 48315 N7 G 02300 138.829 48.281 15.092 1.00737.35 N ATOM 48316 C5 G 02300 138.623 47.078 15.751 1.00737.35 C ATOM 48317 C6 G 02300 138.204 45.819 15.252 1.00737.35 C ATOM 48318 O6 G 02300 137.919 45.504 14.089 1.00737.35 O ATOM 48319 N1 G 02300 138.124 44.869 16.264 1.00737.35 N ATOM 48320 C2 G 02300 138.411 45.097 17.585 1.00737.35 C ATOM 48321 N2 G 02300 138.275 44.044 18.409 1.00737.35 N ATOM 48322 N3 G 02300 138.803 46.265 18.066 1.00737.35 N ATOM 48323 C4 G 02300 138.886 47.207 17.100 1.00737.35 C ATOM 48324 P A 02301 138.976 46.665 22.475 1.00737.35 P ATOM 48325 O1P A 02301 137.631 46.964 21.920 1.00737.35 O ATOM 48326 O2P A 02301 139.192 46.729 23.943 1.00737.35 O ATOM 48327 O5* A 02301 139.412 45.221 21.955 1.00737.35 O ATOM 48328 C5* A 02301 139.334 44.080 22.809 1.00737.35 C ATOM 48329 C4* A 02301 138.514 42.990 22.155 1.00737.35 C ATOM 48330 O4* A 02301 139.058 42.703 20.841 1.00737.35 O ATOM 48331 C3* A 02301 138.522 41.648 22.870 1.00737.35 C ATOM 48332 O3* A 02301 137.540 41.609 23.902 1.00737.35 O ATOM 48333 C2* A 02301 138.189 40.679 21.741 1.00737.35 C ATOM 48334 O2* A 02301 136.806 40.605 21.460 1.00737.35 O ATOM 48335 C1* A 02301 138.923 41.320 20.561 1.00737.35 C ATOM 48336 N9 A 02301 140.256 40.762 20.319 1.00737.35 N ATOM 48337 C8 A 02301 141.461 41.205 20.807 1.00737.35 C ATOM 48338 N7 A 02301 142.487 40.494 20.409 1.00737.35 N ATOM 48339 C5 A 02301 141.922 39.515 19.604 1.00737.35 C ATOM 48340 C6 A 02301 142.478 38.447 18.881 1.00737.35 C ATOM 48341 N6 A 02301 143.784 38.175 18.848 1.00737.35 N ATOM 48342 N1 A 02301 141.638 37.655 18.182 1.00737.35 N ATOM 48343 C2 A 02301 140.326 37.926 18.213 1.00737.35 C ATOM 48344 N3 A 02301 139.682 38.899 18.854 1.00737.35 N ATOM 48345 C4 A 02301 140.547 39.667 19.540 1.00737.35 C ATOM 48346 P G 02302 137.902 40.964 25.330 1.00737.35 P ATOM 48347 O1P G 02302 136.658 40.963 26.141 1.00737.35 O ATOM 48348 O2P G 02302 139.117 41.642 25.854 1.00737.35 O ATOM 48349 O5* G 02302 138.284 39.452 24.998 1.00737.35 O ATOM 48350 C5* G 02302 137.307 38.535 24.509 1.00737.35 C ATOM 48351 C4* G 02302 137.983 37.354 23.846 1.00737.35 C ATOM 48352 O4* G 02302 138.789 37.837 22.737 1.00737.35 O ATOM 48353 C3* G 02302 138.960 36.576 24.715 1.00737.35 C ATOM 48354 O3* G 02302 138.292 35.576 25.484 1.00737.35 O ATOM 48355 C2* G 02302 139.891 35.964 23.679 1.00737.35 C ATOM 48356 O2* G 02302 139.350 34.820 23.049 1.00737.35 O ATOM 48357 C1* G 02302 140.004 37.108 22.671 1.00737.35 C ATOM 48358 N9 G 02302 141.106 38.020 22.975 1.00737.35 N ATOM 48359 C8 G 02302 141.023 39.243 23.600 1.00737.35 C ATOM 48360 N7 G 02302 142.182 39.825 23.743 1.00737.35 N ATOM 48361 C5 G 02302 143.086 38.934 23.181 1.00737.35 C ATOM 48362 C6 G 02302 144.494 39.020 23.047 1.00737.35 C ATOM 48363 O6 G 02302 145.249 39.928 23.414 1.00737.35 O ATOM 48364 N1 G 02302 145.017 37.897 22.415 1.00737.35 N ATOM 48365 C2 G 02302 144.282 36.827 21.968 1.00737.35 C ATOM 48366 N2 G 02302 144.970 35.838 21.383 1.00737.35 N ATOM 48367 N3 G 02302 142.967 36.734 22.086 1.00737.35 N ATOM 48368 C4 G 02302 142.438 37.815 22.699 1.00737.35 C ATOM 48369 P C 02303 138.948 35.053 26.858 1.00737.35 P ATOM 48370 O1P C 02303 138.040 34.017 27.413 1.00737.35 O ATOM 48371 O2P C 02303 139.304 36.234 27.686 1.00737.35 O ATOM 48372 O5* C 02303 140.299 34.339 26.402 1.00737.35 O ATOM 48373 C5* C 02303 140.272 33.206 25.535 1.00737.35 C ATOM 48374 C4* C 02303 141.675 32.838 25.102 1.00737.35 C ATOM 48375 O4* C 02303 142.277 33.965 24.415 1.00737.35 O ATOM 48376 C3* C 02303 142.658 32.512 26.216 1.00737.35 C ATOM 48377 O3* C 02303 142.541 31.148 26.608 1.00737.35 O ATOM 48378 C2* C 02303 144.004 32.777 25.548 1.00737.35 C ATOM 48379 O2* C 02303 144.454 31.693 24.759 1.00737.35 O ATOM 48380 C1* C 02303 143.677 33.970 24.648 1.00737.35 C ATOM 48381 N1 C 02303 144.070 35.276 25.218 1.00737.35 N ATOM 48382 C2 C 02303 145.394 35.716 25.051 1.00737.35 C ATOM 48383 O2 C 02303 146.200 34.996 24.435 1.00737.35 O ATOM 48384 N3 C 02303 145.764 36.911 25.566 1.00737.35 N ATOM 48385 C4 C 02303 144.875 37.659 26.222 1.00737.35 C ATOM 48386 N4 C 02303 145.285 38.833 26.708 1.00737.35 N ATOM 48387 C5 C 02303 143.525 37.238 26.409 1.00737.35 C ATOM 48388 C6 C 02303 143.168 36.052 25.897 1.00737.35 C ATOM 48389 P G 02304 143.000 30.693 28.080 1.00737.35 P ATOM 48390 O1P G 02304 144.333 31.296 28.344 1.00737.35 O ATOM 48391 O2P G 02304 142.829 29.220 28.183 1.00737.35 O ATOM 48392 O5* G 02304 141.946 31.385 29.053 1.00737.35 O ATOM 48393 C5* G 02304 140.551 31.366 28.762 1.00737.35 C ATOM 48394 C4* G 02304 139.749 31.208 30.034 1.00737.35 C ATOM 48395 O4* G 02304 140.005 29.898 30.605 1.00737.35 O ATOM 48396 C3* G 02304 140.088 32.183 31.153 1.00737.35 C ATOM 48397 O3* G 02304 139.392 33.415 30.990 1.00737.35 O ATOM 48398 C2* G 02304 139.628 31.423 32.391 1.00737.35 C ATOM 48399 O2* G 02304 138.234 31.516 32.614 1.00737.35 O ATOM 48400 C1* G 02304 139.998 29.986 32.022 1.00737.35 C ATOM 48401 N9 G 02304 141.309 29.575 32.521 1.00737.35 N ATOM 48402 C8 G 02304 142.499 29.575 31.830 1.00737.35 C ATOM 48403 N7 G 02304 143.506 29.149 32.544 1.00737.35 N ATOM 48404 C5 G 02304 142.951 28.851 33.780 1.00737.35 C ATOM 48405 C6 G 02304 143.554 28.348 34.963 1.00737.35 C ATOM 48406 O6 G 02304 144.741 28.058 35.159 1.00737.35 O ATOM 48407 N1 G 02304 142.625 28.193 35.985 1.00737.35 N ATOM 48408 C2 G 02304 141.286 28.481 35.886 1.00737.35 C ATOM 48409 N2 G 02304 140.550 28.265 36.987 1.00737.35 N ATOM 48410 N3 G 02304 140.711 28.947 34.789 1.00737.35 N ATOM 48411 C4 G 02304 141.595 29.106 33.783 1.00737.35 C ATOM 48412 P C 02305 140.037 34.772 31.565 1.00737.35 P ATOM 48413 O1P C 02305 139.071 35.869 31.292 1.00737.35 O ATOM 48414 O2P C 02305 141.429 34.883 31.059 1.00737.35 O ATOM 48415 O5* C 02305 140.092 34.535 33.140 1.00737.35 O ATOM 48416 C5* C 02305 138.896 34.408 33.905 1.00737.35 C ATOM 48417 C4* C 02305 139.225 34.134 35.355 1.00737.35 C ATOM 48418 O4* C 02305 139.888 32.848 35.470 1.00737.35 O ATOM 48419 C3* C 02305 140.189 35.110 36.011 1.00737.35 C ATOM 48420 O3* C 02305 139.499 36.267 36.468 1.00737.35 O ATOM 48421 C2* C 02305 140.748 34.284 37.166 1.00737.35 C ATOM 48422 O2* C 02305 139.894 34.259 38.295 1.00737.35 O ATOM 48423 C1* C 02305 140.818 32.888 36.541 1.00737.35 C ATOM 48424 N1 C 02305 142.156 32.528 36.025 1.00737.35 N ATOM 48425 C2 C 02305 143.078 31.923 36.897 1.00737.35 C ATOM 48426 O2 C 02305 142.745 31.707 38.075 1.00737.35 O ATOM 48427 N3 C 02305 144.303 31.589 36.435 1.00737.35 N ATOM 48428 C4 C 02305 144.629 31.837 35.164 1.00737.35 C ATOM 48429 N4 C 02305 145.849 31.487 34.753 1.00737.35 N ATOM 48430 C5 C 02305 143.716 32.450 34.259 1.00737.35 C ATOM 48431 C6 C 02305 142.503 32.776 34.725 1.00737.35 C ATOM 48432 P A 02306 140.120 37.727 36.200 1.00737.35 P ATOM 48433 O1P A 02306 139.055 38.712 36.517 1.00737.35 O ATOM 48434 O2P A 02306 140.745 37.732 34.853 1.00737.35 O ATOM 48435 O5* A 02306 141.283 37.858 37.284 1.00737.35 O ATOM 48436 C5* A 02306 141.187 38.794 38.356 1.00737.35 C ATOM 48437 C4* A 02306 142.520 39.470 38.589 1.00737.35 C ATOM 48438 O4* A 02306 143.474 38.506 39.103 1.00737.35 O ATOM 48439 C3* A 02306 143.192 40.045 37.354 1.00737.35 C ATOM 48440 O3* A 02306 142.676 41.335 37.041 1.00737.35 O ATOM 48441 C2* A 02306 144.657 40.096 37.778 1.00737.35 C ATOM 48442 O2* A 02306 144.972 41.229 38.562 1.00737.35 O ATOM 48443 C1* A 02306 144.774 38.826 38.627 1.00737.35 C ATOM 48444 N9 A 02306 145.297 37.673 37.893 1.00737.35 N ATOM 48445 C8 A 02306 144.611 36.794 37.091 1.00737.35 C ATOM 48446 N7 A 02306 145.365 35.858 36.565 1.00737.35 N ATOM 48447 C5 A 02306 146.632 36.140 37.052 1.00737.35 C ATOM 48448 C6 A 02306 147.878 35.516 36.864 1.00737.35 C ATOM 48449 N6 A 02306 148.056 34.434 36.104 1.00737.35 N ATOM 48450 N1 A 02306 148.949 36.047 37.491 1.00737.35 N ATOM 48451 C2 A 02306 148.772 37.133 38.255 1.00737.35 C ATOM 48452 N3 A 02306 147.653 37.809 38.508 1.00737.35 N ATOM 48453 C4 A 02306 146.607 37.257 37.870 1.00737.35 C ATOM 48454 P A 02307 142.731 41.871 35.526 1.00737.35 P ATOM 48455 O1P A 02307 141.979 43.152 35.461 1.00737.35 O ATOM 48456 O2P A 02307 142.345 40.749 34.631 1.00737.35 O ATOM 48457 O5* A 02307 144.275 42.186 35.288 1.00737.35 O ATOM 48458 C5* A 02307 144.937 43.207 36.028 1.00737.35 C ATOM 48459 C4* A 02307 146.431 43.132 35.817 1.00737.35 C ATOM 48460 O4* A 02307 146.926 41.865 36.324 1.00737.35 O ATOM 48461 C3* A 02307 146.907 43.170 34.373 1.00737.35 C ATOM 48462 O3* A 02307 146.997 44.514 33.909 1.00737.35 O ATOM 48463 C2* A 02307 148.274 42.502 34.468 1.00737.35 C ATOM 48464 O2* A 02307 149.284 43.384 34.919 1.00737.35 O ATOM 48465 C1* A 02307 148.019 41.431 35.531 1.00737.35 C ATOM 48466 N9 A 02307 147.706 40.107 34.984 1.00737.35 N ATOM 48467 C8 A 02307 146.469 39.575 34.701 1.00737.35 C ATOM 48468 N7 A 02307 146.516 38.355 34.223 1.00737.35 N ATOM 48469 C5 A 02307 147.872 38.062 34.189 1.00737.35 C ATOM 48470 C6 A 02307 148.584 36.916 33.785 1.00737.35 C ATOM 48471 N6 A 02307 148.006 35.803 33.325 1.00737.35 N ATOM 48472 N1 A 02307 149.931 36.953 33.874 1.00737.35 N ATOM 48473 C2 A 02307 150.513 38.063 34.337 1.00737.35 C ATOM 48474 N3 A 02307 149.956 39.199 34.749 1.00737.35 N ATOM 48475 C4 A 02307 148.616 39.134 34.649 1.00737.35 C ATOM 48476 P A 02308 147.056 44.815 32.328 1.00737.35 P ATOM 48477 O1P A 02308 146.738 46.252 32.121 1.00737.35 O ATOM 48478 O2P A 02308 146.249 43.779 31.633 1.00737.35 O ATOM 48479 O5* A 02308 148.585 44.581 31.947 1.00737.35 O ATOM 48480 C5* A 02308 149.611 45.418 32.479 1.00737.35 C ATOM 48481 C4* A 02308 150.973 44.823 32.205 1.00737.35 C ATOM 48482 O4* A 02308 151.061 43.525 32.852 1.00737.35 O ATOM 48483 C3* A 02308 151.294 44.542 30.744 1.00737.35 C ATOM 48484 O3* A 02308 151.819 45.704 30.108 1.00737.35 O ATOM 48485 C2* A 02308 152.331 43.430 30.847 1.00737.35 C ATOM 48486 O2* A 02308 153.631 43.905 31.137 1.00737.35 O ATOM 48487 C1* A 02308 151.797 42.628 32.034 1.00737.35 C ATOM 48488 N9 A 02308 150.909 41.530 31.648 1.00737.35 N ATOM 48489 C8 A 02308 149.559 41.586 31.397 1.00737.35 C ATOM 48490 N7 A 02308 149.032 40.433 31.070 1.00737.35 N ATOM 48491 C5 A 02308 150.107 39.552 31.109 1.00737.35 C ATOM 48492 C6 A 02308 150.206 38.173 30.860 1.00737.35 C ATOM 48493 N6 A 02308 149.168 37.409 30.513 1.00737.35 N ATOM 48494 N1 A 02308 151.422 37.600 30.984 1.00737.35 N ATOM 48495 C2 A 02308 152.462 38.370 31.334 1.00737.35 C ATOM 48496 N3 A 02308 152.494 39.675 31.593 1.00737.35 N ATOM 48497 C4 A 02308 151.269 40.216 31.462 1.00737.35 C ATOM 48498 P G 02309 151.707 45.862 28.511 1.00737.35 P ATOM 48499 O1P G 02309 152.255 47.191 28.139 1.00737.35 O ATOM 48500 O2P G 02309 150.318 45.506 28.118 1.00737.35 O ATOM 48501 O5* G 02309 152.683 44.737 27.945 1.00737.35 O ATOM 48502 C5* G 02309 154.097 44.842 28.107 1.00737.35 C ATOM 48503 C4* G 02309 154.774 43.574 27.641 1.00737.35 C ATOM 48504 O4* G 02309 154.356 42.467 28.483 1.00737.35 O ATOM 48505 C3* G 02309 154.436 43.125 26.229 1.00737.35 C ATOM 48506 O3* G 02309 155.256 43.787 25.270 1.00737.35 O ATOM 48507 C2* G 02309 154.724 41.630 26.286 1.00737.35 C ATOM 48508 O2* G 02309 156.096 41.320 26.149 1.00737.35 O ATOM 48509 C1* G 02309 154.255 41.285 27.701 1.00737.35 C ATOM 48510 N9 G 02309 152.873 40.811 27.760 1.00737.35 N ATOM 48511 C8 G 02309 151.754 41.543 28.078 1.00737.35 C ATOM 48512 N7 G 02309 150.654 40.840 28.046 1.00737.35 N ATOM 48513 C5 G 02309 151.069 39.567 27.682 1.00737.35 C ATOM 48514 C6 G 02309 150.322 38.378 27.484 1.00737.35 C ATOM 48515 O6 G 02309 149.102 38.207 27.598 1.00737.35 O ATOM 48516 N1 G 02309 151.140 37.314 27.119 1.00737.35 N ATOM 48517 C2 G 02309 152.503 37.383 26.965 1.00737.35 C ATOM 48518 N2 G 02309 153.116 36.243 26.607 1.00737.35 N ATOM 48519 N3 G 02309 153.212 38.483 27.146 1.00737.35 N ATOM 48520 C4 G 02309 152.438 39.531 27.501 1.00737.35 C ATOM 48521 P G 02310 154.663 44.130 23.814 1.00737.35 P ATOM 48522 O1P G 02310 155.740 44.775 23.018 1.00737.35 O ATOM 48523 O2P G 02310 153.373 44.840 24.010 1.00737.35 O ATOM 48524 O5* G 02310 154.352 42.704 23.178 1.00737.35 O ATOM 48525 C5* G 02310 155.405 41.791 22.875 1.00737.35 C ATOM 48526 C4* G 02310 154.840 40.447 22.475 1.00737.35 C ATOM 48527 O4* G 02310 154.106 39.882 23.590 1.00737.35 O ATOM 48528 C3* G 02310 153.833 40.466 21.335 1.00737.35 C ATOM 48529 O3* G 02310 154.496 40.448 20.074 1.00737.35 O ATOM 48530 C2* G 02310 153.044 39.183 21.577 1.00737.35 C ATOM 48531 O2* G 02310 153.696 38.029 21.079 1.00737.35 O ATOM 48532 C1* G 02310 153.003 39.131 23.108 1.00737.35 C ATOM 48533 N9 G 02310 151.776 39.675 23.686 1.00737.35 N ATOM 48534 C8 G 02310 151.574 40.947 24.169 1.00737.35 C ATOM 48535 N7 G 02310 150.367 41.134 24.630 1.00737.35 N ATOM 48536 C5 G 02310 149.732 39.915 24.440 1.00737.35 C ATOM 48537 C6 G 02310 148.406 39.509 24.749 1.00737.35 C ATOM 48538 O6 G 02310 147.500 40.168 25.271 1.00737.35 O ATOM 48539 N1 G 02310 148.181 38.185 24.387 1.00737.35 N ATOM 48540 C2 G 02310 149.107 37.355 23.806 1.00737.35 C ATOM 48541 N2 G 02310 148.693 36.109 23.531 1.00737.35 N ATOM 48542 N3 G 02310 150.344 37.718 23.514 1.00737.35 N ATOM 48543 C4 G 02310 150.587 39.003 23.856 1.00737.35 C ATOM 48544 P U 02311 153.898 41.290 18.841 1.00737.35 P ATOM 48545 O1P U 02311 154.755 41.042 17.652 1.00737.35 O ATOM 48546 O2P U 02311 153.684 42.682 19.312 1.00737.35 O ATOM 48547 O5* U 02311 152.471 40.633 18.577 1.00737.35 O ATOM 48548 C5* U 02311 152.353 39.277 18.149 1.00737.35 C ATOM 48549 C4* U 02311 150.936 38.788 18.344 1.00737.35 C ATOM 48550 O4* U 02311 150.605 38.836 19.757 1.00737.35 O ATOM 48551 C3* U 02311 149.854 39.620 17.673 1.00737.35 C ATOM 48552 O3* U 02311 149.668 39.218 16.319 1.00737.35 O ATOM 48553 C2* U 02311 148.629 39.301 18.522 1.00737.35 C ATOM 48554 O2* U 02311 148.019 38.072 18.180 1.00737.35 O ATOM 48555 C1* U 02311 149.244 39.201 19.920 1.00737.35 C ATOM 48556 N1 U 02311 149.180 40.457 20.686 1.00737.35 N ATOM 48557 C2 U 02311 148.026 40.711 21.415 1.00737.35 C ATOM 48558 O2 U 02311 147.075 39.945 21.447 1.00737.35 O ATOM 48559 N3 U 02311 148.028 41.898 22.107 1.00737.35 N ATOM 48560 C4 U 02311 149.036 42.837 22.146 1.00737.35 C ATOM 48561 O4 U 02311 148.886 43.859 22.818 1.00737.35 O ATOM 48562 C5 U 02311 150.192 42.505 21.369 1.00737.35 C ATOM 48563 C6 U 02311 150.223 41.358 20.685 1.00737.35 C ATOM 48564 P A 02312 149.406 40.327 15.184 1.00737.35 P ATOM 48565 O1P A 02312 150.706 40.983 14.896 1.00737.35 O ATOM 48566 O2P A 02312 148.243 41.155 15.597 1.00737.35 O ATOM 48567 O5* A 02312 148.984 39.473 13.907 1.00737.35 O ATOM 48568 C5* A 02312 149.777 38.372 13.471 1.00737.35 C ATOM 48569 C4* A 02312 148.916 37.144 13.283 1.00737.35 C ATOM 48570 O4* A 02312 148.194 36.881 14.516 1.00737.35 O ATOM 48571 C3* A 02312 147.828 37.234 12.223 1.00737.35 C ATOM 48572 O3* A 02312 148.364 36.944 10.929 1.00737.35 O ATOM 48573 C2* A 02312 146.833 36.182 12.699 1.00737.35 C ATOM 48574 O2* A 02312 147.213 34.861 12.364 1.00737.35 O ATOM 48575 C1* A 02312 146.904 36.368 14.217 1.00737.35 C ATOM 48576 N9 A 02312 145.896 37.288 14.755 1.00737.35 N ATOM 48577 C8 A 02312 146.086 38.334 15.625 1.00737.35 C ATOM 48578 N7 A 02312 144.986 38.976 15.930 1.00737.35 N ATOM 48579 C5 A 02312 144.002 38.312 15.211 1.00737.35 C ATOM 48580 C6 A 02312 142.614 38.509 15.102 1.00737.35 C ATOM 48581 N6 A 02312 141.950 39.474 15.742 1.00737.35 N ATOM 48582 N1 A 02312 141.921 37.670 14.300 1.00737.35 N ATOM 48583 C2 A 02312 142.588 36.706 13.657 1.00737.35 C ATOM 48584 N3 A 02312 143.887 36.419 13.679 1.00737.35 N ATOM 48585 C4 A 02312 144.547 37.269 14.484 1.00737.35 C ATOM 48586 P G 02313 147.376 36.750 9.670 1.00737.35 P ATOM 48587 O1P G 02313 148.201 36.911 8.444 1.00737.35 O ATOM 48588 O2P G 02313 146.176 37.605 9.864 1.00737.35 O ATOM 48589 O5* G 02313 146.926 35.223 9.783 1.00737.35 O ATOM 48590 C5* G 02313 146.790 34.401 8.626 1.00737.35 C ATOM 48591 C4* G 02313 147.978 33.471 8.505 1.00737.35 C ATOM 48592 O4* G 02313 149.170 34.266 8.288 1.00737.35 O ATOM 48593 C3* G 02313 148.294 32.637 9.740 1.00737.35 C ATOM 48594 O3* G 02313 147.550 31.420 9.739 1.00737.35 O ATOM 48595 C2* G 02313 149.785 32.353 9.567 1.00737.35 C ATOM 48596 O2* G 02313 150.050 31.262 8.708 1.00737.35 O ATOM 48597 C1* G 02313 150.279 33.650 8.916 1.00737.35 C ATOM 48598 N9 G 02313 150.882 34.613 9.834 1.00737.35 N ATOM 48599 C8 G 02313 150.539 34.852 11.147 1.00737.35 C ATOM 48600 N7 G 02313 151.270 35.775 11.708 1.00737.35 N ATOM 48601 C5 G 02313 152.149 36.175 10.708 1.00737.35 C ATOM 48602 C6 G 02313 153.177 37.153 10.727 1.00737.35 C ATOM 48603 O6 G 02313 153.532 37.883 11.661 1.00737.35 O ATOM 48604 N1 G 02313 153.822 37.239 9.497 1.00737.35 N ATOM 48605 C2 G 02313 153.518 36.484 8.391 1.00737.35 C ATOM 48606 N2 G 02313 154.254 36.717 7.296 1.00737.35 N ATOM 48607 N3 G 02313 152.563 35.568 8.362 1.00737.35 N ATOM 48608 C4 G 02313 151.923 35.467 9.547 1.00737.35 C ATOM 48609 P A 02314 146.465 31.135 10.896 1.00737.35 P ATOM 48610 O1P A 02314 146.205 29.674 10.898 1.00737.35 O ATOM 48611 O2P A 02314 145.335 32.081 10.711 1.00737.35 O ATOM 48612 O5* A 02314 147.201 31.504 12.263 1.00737.35 O ATOM 48613 C5* A 02314 148.539 31.082 12.528 1.00737.35 C ATOM 48614 C4* A 02314 148.909 31.390 13.962 1.00737.35 C ATOM 48615 O4* A 02314 148.568 32.775 14.244 1.00737.35 O ATOM 48616 C3* A 02314 148.163 30.601 15.029 1.00737.35 C ATOM 48617 O3* A 02314 148.794 29.349 15.277 1.00737.35 O ATOM 48618 C2* A 02314 148.272 31.525 16.235 1.00737.35 C ATOM 48619 O2* A 02314 149.540 31.463 16.857 1.00737.35 O ATOM 48620 C1* A 02314 148.087 32.891 15.575 1.00737.35 C ATOM 48621 N9 A 02314 146.684 33.308 15.530 1.00737.35 N ATOM 48622 C8 A 02314 145.767 33.095 14.527 1.00737.35 C ATOM 48623 N7 A 02314 144.575 33.582 14.788 1.00737.35 N ATOM 48624 C5 A 02314 144.720 34.156 16.042 1.00737.35 C ATOM 48625 C6 A 02314 143.816 34.840 16.878 1.00737.35 C ATOM 48626 N6 A 02314 142.540 35.067 16.560 1.00737.35 N ATOM 48627 N1 A 02314 144.278 35.287 18.066 1.00737.35 N ATOM 48628 C2 A 02314 145.557 35.057 18.384 1.00737.35 C ATOM 48629 N3 A 02314 146.500 34.430 17.686 1.00737.35 N ATOM 48630 C4 A 02314 146.010 33.998 16.511 1.00737.35 C ATOM 48631 P A 02315 147.937 28.120 15.870 1.00737.35 P ATOM 48632 O1P A 02315 148.666 26.880 15.498 1.00737.35 O ATOM 48633 O2P A 02315 146.518 28.284 15.461 1.00737.35 O ATOM 48634 O5* A 02315 148.022 28.302 17.452 1.00737.35 O ATOM 48635 C5* A 02315 148.203 27.168 18.304 1.00737.35 C ATOM 48636 C4* A 02315 148.292 27.584 19.757 1.00737.35 C ATOM 48637 O4* A 02315 149.368 28.545 19.930 1.00737.35 O ATOM 48638 C3* A 02315 147.088 28.281 20.369 1.00737.35 C ATOM 48639 O3* A 02315 146.089 27.333 20.743 1.00737.35 O ATOM 48640 C2* A 02315 147.709 28.967 21.583 1.00737.35 C ATOM 48641 O2* A 02315 147.885 28.096 22.684 1.00737.35 O ATOM 48642 C1* A 02315 149.076 29.387 21.035 1.00737.35 C ATOM 48643 N9 A 02315 149.112 30.780 20.588 1.00737.35 N ATOM 48644 C8 A 02315 148.407 31.360 19.563 1.00737.35 C ATOM 48645 N7 A 02315 148.649 32.639 19.412 1.00737.35 N ATOM 48646 C5 A 02315 149.576 32.923 20.405 1.00737.35 C ATOM 48647 C6 A 02315 150.235 34.110 20.774 1.00737.35 C ATOM 48648 N6 A 02315 150.046 35.281 20.163 1.00737.35 N ATOM 48649 N1 A 02315 151.100 34.051 21.810 1.00737.35 N ATOM 48650 C2 A 02315 151.286 32.875 22.423 1.00737.35 C ATOM 48651 N3 A 02315 150.728 31.695 22.170 1.00737.35 N ATOM 48652 C4 A 02315 149.873 31.786 21.136 1.00737.35 C ATOM 48653 P G 02316 144.770 27.816 21.538 1.00737.35 P ATOM 48654 O1P G 02316 145.091 27.755 22.987 1.00737.35 O ATOM 48655 O2P G 02316 143.616 27.046 21.012 1.00737.35 O ATOM 48656 O5* G 02316 144.579 29.342 21.121 1.00737.35 O ATOM 48657 C5* G 02316 144.078 30.301 22.054 1.00737.35 C ATOM 48658 C4* G 02316 143.008 31.153 21.410 1.00737.35 C ATOM 48659 O4* G 02316 143.586 31.878 20.294 1.00737.35 O ATOM 48660 C3* G 02316 141.835 30.387 20.818 1.00737.35 C ATOM 48661 O3* G 02316 140.842 30.152 21.815 1.00737.35 O ATOM 48662 C2* G 02316 141.340 31.333 19.729 1.00737.35 C ATOM 48663 O2* G 02316 140.508 32.364 20.225 1.00737.35 O ATOM 48664 C1* G 02316 142.657 31.930 19.224 1.00737.35 C ATOM 48665 N9 G 02316 143.238 31.226 18.080 1.00737.35 N ATOM 48666 C8 G 02316 144.412 30.511 18.057 1.00737.35 C ATOM 48667 N7 G 02316 144.682 30.004 16.885 1.00737.35 N ATOM 48668 C5 G 02316 143.620 30.403 16.084 1.00737.35 C ATOM 48669 C6 G 02316 143.364 30.155 14.711 1.00737.35 C ATOM 48670 O6 G 02316 144.047 29.514 13.901 1.00737.35 O ATOM 48671 N1 G 02316 142.172 30.744 14.301 1.00737.35 N ATOM 48672 C2 G 02316 141.334 31.477 15.105 1.00737.35 C ATOM 48673 N2 G 02316 140.225 31.959 14.522 1.00737.35 N ATOM 48674 N3 G 02316 141.565 31.721 16.385 1.00737.35 N ATOM 48675 C4 G 02316 142.718 31.157 16.807 1.00737.35 C ATOM 48676 P G 02317 140.002 28.780 21.803 1.00737.35 P ATOM 48677 O1P G 02317 139.333 28.667 23.125 1.00737.35 O ATOM 48678 O2P G 02317 140.887 27.683 21.334 1.00737.35 O ATOM 48679 O5* G 02317 138.885 29.022 20.690 1.00737.35 O ATOM 48680 C5* G 02317 137.663 29.692 21.003 1.00737.35 C ATOM 48681 C4* G 02317 136.696 29.577 19.846 1.00737.35 C ATOM 48682 O4* G 02317 137.248 30.271 18.696 1.00737.35 O ATOM 48683 C3* G 02317 136.436 28.157 19.362 1.00737.35 C ATOM 48684 O3* G 02317 135.376 27.556 20.100 1.00737.35 O ATOM 48685 C2* G 02317 136.075 28.370 17.897 1.00737.35 C ATOM 48686 O2* G 02317 134.736 28.776 17.708 1.00737.35 O ATOM 48687 C1* G 02317 137.022 29.511 17.518 1.00737.35 C ATOM 48688 N9 G 02317 138.320 29.066 17.013 1.00737.35 N ATOM 48689 C8 G 02317 139.550 29.284 17.591 1.00737.35 C ATOM 48690 N7 G 02317 140.536 28.772 16.910 1.00737.35 N ATOM 48691 C5 G 02317 139.926 28.176 15.814 1.00737.35 C ATOM 48692 C6 G 02317 140.490 27.464 14.727 1.00737.35 C ATOM 48693 O6 G 02317 141.679 27.211 14.508 1.00737.35 O ATOM 48694 N1 G 02317 139.512 27.029 13.838 1.00737.35 N ATOM 48695 C2 G 02317 138.163 27.250 13.977 1.00737.35 C ATOM 48696 N2 G 02317 137.380 26.748 13.012 1.00737.35 N ATOM 48697 N3 G 02317 137.624 27.915 14.987 1.00737.35 N ATOM 48698 C4 G 02317 138.557 28.348 15.862 1.00737.35 C ATOM 48699 P U 02318 135.409 25.977 20.407 1.00737.35 P ATOM 48700 O1P U 02318 134.281 25.662 21.321 1.00737.35 O ATOM 48701 O2P U 02318 136.796 25.622 20.804 1.00737.35 O ATOM 48702 O5* U 02318 135.116 25.302 18.992 1.00737.35 O ATOM 48703 C5* U 02318 133.812 25.344 18.411 1.00737.35 C ATOM 48704 C4* U 02318 133.785 24.560 17.119 1.00737.35 C ATOM 48705 O4* U 02318 134.673 25.191 16.158 1.00737.35 O ATOM 48706 C3* U 02318 134.277 23.123 17.208 1.00737.35 C ATOM 48707 O3* U 02318 133.240 22.248 17.633 1.00737.35 O ATOM 48708 C2* U 02318 134.718 22.845 15.776 1.00737.35 C ATOM 48709 O2* U 02318 133.642 22.522 14.915 1.00737.35 O ATOM 48710 C1* U 02318 135.319 24.197 15.378 1.00737.35 C ATOM 48711 N1 U 02318 136.770 24.286 15.611 1.00737.35 N ATOM 48712 C2 U 02318 137.619 23.838 14.608 1.00737.35 C ATOM 48713 O2 U 02318 137.220 23.379 13.548 1.00737.35 O ATOM 48714 N3 U 02318 138.959 23.948 14.895 1.00737.35 N ATOM 48715 C4 U 02318 139.525 24.448 16.050 1.00737.35 C ATOM 48716 O4 U 02318 140.751 24.490 16.158 1.00737.35 O ATOM 48717 C5 U 02318 138.585 24.887 17.034 1.00737.35 C ATOM 48718 C6 U 02318 137.276 24.794 16.788 1.00737.35 C ATOM 48719 P G 02319 133.610 20.840 18.319 1.00737.35 P ATOM 48720 O1P G 02319 132.362 20.254 18.874 1.00737.35 O ATOM 48721 O2P G 02319 134.777 21.063 19.213 1.00737.35 O ATOM 48722 O5* G 02319 134.091 19.934 17.099 1.00737.35 O ATOM 48723 C5* G 02319 133.176 19.530 16.081 1.00737.35 C ATOM 48724 C4* G 02319 133.884 18.700 15.034 1.00737.35 C ATOM 48725 O4* G 02319 134.886 19.513 14.370 1.00737.35 O ATOM 48726 C3* G 02319 134.658 17.497 15.551 1.00737.35 C ATOM 48727 O3* G 02319 133.798 16.374 15.729 1.00737.35 O ATOM 48728 C2* G 02319 135.679 17.271 14.442 1.00737.35 C ATOM 48729 O2* G 02319 135.150 16.567 13.335 1.00737.35 O ATOM 48730 C1* G 02319 136.006 18.709 14.033 1.00737.35 C ATOM 48731 N9 G 02319 137.186 19.252 14.707 1.00737.35 N ATOM 48732 C8 G 02319 137.219 19.959 15.887 1.00737.35 C ATOM 48733 N7 G 02319 138.425 20.312 16.239 1.00737.35 N ATOM 48734 C5 G 02319 139.238 19.809 15.233 1.00737.35 C ATOM 48735 C6 G 02319 140.646 19.879 15.067 1.00737.35 C ATOM 48736 O6 G 02319 141.484 20.420 15.802 1.00737.35 O ATOM 48737 N1 G 02319 141.058 19.234 13.906 1.00737.35 N ATOM 48738 C2 G 02319 140.225 18.602 13.016 1.00737.35 C ATOM 48739 N2 G 02319 140.817 18.039 11.953 1.00737.35 N ATOM 48740 N3 G 02319 138.912 18.530 13.156 1.00737.35 N ATOM 48741 C4 G 02319 138.490 19.151 14.279 1.00737.35 C ATOM 48742 P G 02320 134.249 15.164 16.691 1.00737.35 P ATOM 48743 O1P G 02320 133.049 14.344 16.990 1.00737.35 O ATOM 48744 O2P G 02320 135.041 15.737 17.809 1.00737.35 O ATOM 48745 O5* G 02320 135.234 14.299 15.783 1.00737.35 O ATOM 48746 C5* G 02320 134.745 13.588 14.647 1.00737.35 C ATOM 48747 C4* G 02320 135.896 13.023 13.843 1.00737.35 C ATOM 48748 O4* G 02320 136.714 14.115 13.347 1.00737.35 O ATOM 48749 C3* G 02320 136.871 12.139 14.603 1.00737.35 C ATOM 48750 O3* G 02320 136.403 10.797 14.680 1.00737.35 O ATOM 48751 C2* G 02320 138.133 12.253 13.757 1.00737.35 C ATOM 48752 O2* G 02320 138.111 11.418 12.616 1.00737.35 O ATOM 48753 C1* G 02320 138.077 13.722 13.326 1.00737.35 C ATOM 48754 N9 G 02320 138.832 14.610 14.208 1.00737.35 N ATOM 48755 C8 G 02320 138.362 15.276 15.318 1.00737.35 C ATOM 48756 N7 G 02320 139.277 15.995 15.908 1.00737.35 N ATOM 48757 C5 G 02320 140.420 15.794 15.146 1.00737.35 C ATOM 48758 C6 G 02320 141.731 16.315 15.298 1.00737.35 C ATOM 48759 O6 G 02320 142.158 17.085 16.168 1.00737.35 O ATOM 48760 N1 G 02320 142.584 15.855 14.301 1.00737.35 N ATOM 48761 C2 G 02320 142.227 14.999 13.289 1.00737.35 C ATOM 48762 N2 G 02320 143.196 14.670 12.424 1.00737.35 N ATOM 48763 N3 G 02320 141.010 14.506 13.134 1.00737.35 N ATOM 48764 C4 G 02320 140.163 14.942 14.093 1.00737.35 C ATOM 48765 P C 02321 136.855 9.857 15.906 1.00737.35 P ATOM 48766 O1P C 02321 136.177 8.543 15.755 1.00737.35 O ATOM 48767 O2P C 02321 136.676 10.632 17.159 1.00737.35 O ATOM 48768 O5* C 02321 138.418 9.645 15.676 1.00737.35 O ATOM 48769 C5* C 02321 138.905 8.978 14.513 1.00737.35 C ATOM 48770 C4* C 02321 140.378 9.259 14.322 1.00737.35 C ATOM 48771 O4* C 02321 140.575 10.692 14.185 1.00737.35 O ATOM 48772 C3* C 02321 141.292 8.865 15.472 1.00737.35 C ATOM 48773 O3* C 02321 141.676 7.496 15.380 1.00737.35 O ATOM 48774 C2* C 02321 142.488 9.786 15.256 1.00737.35 C ATOM 48775 O2* C 02321 143.360 9.322 14.245 1.00737.35 O ATOM 48776 C1* C 02321 141.804 11.070 14.786 1.00737.35 C ATOM 48777 N1 C 02321 141.527 12.029 15.881 1.00737.35 N ATOM 48778 C2 C 02321 142.577 12.834 16.359 1.00737.35 C ATOM 48779 O2 C 02321 143.713 12.714 15.866 1.00737.35 O ATOM 48780 N3 C 02321 142.327 13.719 17.351 1.00737.35 N ATOM 48781 C4 C 02321 141.100 13.817 17.868 1.00737.35 C ATOM 48782 N4 C 02321 140.906 14.710 18.843 1.00737.35 N ATOM 48783 C5 C 02321 140.019 13.010 17.407 1.00737.35 C ATOM 48784 C6 C 02321 140.274 12.137 16.421 1.00737.35 C ATOM 48785 P U 02322 141.726 6.581 16.704 1.00737.35 P ATOM 48786 O1P U 02322 142.383 5.295 16.353 1.00737.35 O ATOM 48787 O2P U 02322 140.360 6.570 17.284 1.00737.35 O ATOM 48788 O5* U 02322 142.681 7.369 17.710 1.00737.35 O ATOM 48789 C5* U 02322 143.951 7.867 17.288 1.00737.35 C ATOM 48790 C4* U 02322 144.360 9.048 18.138 1.00737.35 C ATOM 48791 O4* U 02322 143.276 10.014 18.152 1.00737.35 O ATOM 48792 C3* U 02322 144.615 8.749 19.609 1.00737.35 C ATOM 48793 O3* U 02322 145.961 8.312 19.798 1.00737.35 O ATOM 48794 C2* U 02322 144.359 10.103 20.262 1.00737.35 C ATOM 48795 O2* U 02322 145.452 10.993 20.148 1.00737.35 O ATOM 48796 C1* U 02322 143.189 10.625 19.429 1.00737.35 C ATOM 48797 N1 U 02322 141.867 10.327 20.008 1.00737.35 N ATOM 48798 C2 U 02322 141.337 11.231 20.919 1.00737.35 C ATOM 48799 O2 U 02322 141.915 12.253 21.257 1.00737.35 O ATOM 48800 N3 U 02322 140.105 10.893 21.422 1.00737.35 N ATOM 48801 C4 U 02322 139.361 9.771 21.120 1.00737.35 C ATOM 48802 O4 U 02322 138.264 9.610 21.657 1.00737.35 O ATOM 48803 C5 U 02322 139.971 8.887 20.176 1.00737.35 C ATOM 48804 C6 U 02322 141.169 9.186 19.665 1.00737.35 C ATOM 48805 P U 02323 146.335 7.398 21.068 1.00737.35 P ATOM 48806 O1P U 02323 147.710 6.882 20.850 1.00737.35 O ATOM 48807 O2P U 02323 145.224 6.443 21.311 1.00737.35 O ATOM 48808 O5* U 02323 146.380 8.421 22.287 1.00737.35 O ATOM 48809 C5* U 02323 147.156 9.619 22.220 1.00737.35 C ATOM 48810 C4* U 02323 147.153 10.314 23.562 1.00737.35 C ATOM 48811 O4* U 02323 145.776 10.549 23.958 1.00737.35 O ATOM 48812 C3* U 02323 147.749 9.512 24.710 1.00737.35 C ATOM 48813 O3* U 02323 149.157 9.704 24.782 1.00737.35 O ATOM 48814 C2* U 02323 147.045 10.111 25.924 1.00737.35 C ATOM 48815 O2* U 02323 147.631 11.322 26.362 1.00737.35 O ATOM 48816 C1* U 02323 145.648 10.392 25.362 1.00737.35 C ATOM 48817 N1 U 02323 144.673 9.324 25.636 1.00737.35 N ATOM 48818 C2 U 02323 143.940 9.404 26.813 1.00737.35 C ATOM 48819 O2 U 02323 144.066 10.313 27.617 1.00737.35 O ATOM 48820 N3 U 02323 143.049 8.378 27.010 1.00737.35 N ATOM 48821 C4 U 02323 142.818 7.303 26.176 1.00737.35 C ATOM 48822 O4 U 02323 141.980 6.457 26.497 1.00737.35 O ATOM 48823 C5 U 02323 143.609 7.289 24.986 1.00737.35 C ATOM 48824 C6 U 02323 144.487 8.271 24.760 1.00737.35 C ATOM 48825 P G 02324 150.148 8.450 24.594 1.00737.35 P ATOM 48826 O1P G 02324 150.343 8.262 23.135 1.00737.35 O ATOM 48827 O2P G 02324 149.650 7.319 25.419 1.00737.35 O ATOM 48828 O5* G 02324 151.527 8.955 25.210 1.00737.35 O ATOM 48829 C5* G 02324 151.697 9.074 26.621 1.00737.35 C ATOM 48830 C4* G 02324 152.841 10.010 26.940 1.00737.35 C ATOM 48831 O4* G 02324 154.072 9.470 26.396 1.00737.35 O ATOM 48832 C3* G 02324 152.748 11.407 26.345 1.00737.35 C ATOM 48833 O3* G 02324 151.969 12.253 27.184 1.00737.35 O ATOM 48834 C2* G 02324 154.207 11.852 26.320 1.00737.35 C ATOM 48835 O2* G 02324 154.652 12.401 27.544 1.00737.35 O ATOM 48836 C1* G 02324 154.936 10.535 26.044 1.00737.35 C ATOM 48837 N9 G 02324 155.353 10.373 24.652 1.00737.35 N ATOM 48838 C8 G 02324 154.800 9.547 23.702 1.00737.35 C ATOM 48839 N7 G 02324 155.402 9.625 22.546 1.00737.35 N ATOM 48840 C5 G 02324 156.411 10.557 22.744 1.00737.35 C ATOM 48841 C6 G 02324 157.392 11.057 21.851 1.00737.35 C ATOM 48842 O6 G 02324 157.576 10.763 20.665 1.00737.35 O ATOM 48843 N1 G 02324 158.217 11.994 22.467 1.00737.35 N ATOM 48844 C2 G 02324 158.113 12.398 23.775 1.00737.35 C ATOM 48845 N2 G 02324 159.004 13.309 24.185 1.00737.35 N ATOM 48846 N3 G 02324 157.204 11.939 24.617 1.00737.35 N ATOM 48847 C4 G 02324 156.392 11.029 24.042 1.00737.35 C ATOM 48848 P A 02325 151.328 13.603 26.589 1.00737.35 P ATOM 48849 O1P A 02325 149.918 13.304 26.235 1.00737.35 O ATOM 48850 O2P A 02325 152.239 14.169 25.563 1.00737.35 O ATOM 48851 O5* A 02325 151.312 14.587 27.843 1.00737.35 O ATOM 48852 C5* A 02325 152.528 15.021 28.448 1.00737.35 C ATOM 48853 C4* A 02325 152.442 14.898 29.951 1.00737.35 C ATOM 48854 O4* A 02325 151.325 15.694 30.428 1.00737.35 O ATOM 48855 C3* A 02325 152.159 13.500 30.486 1.00737.35 C ATOM 48856 O3* A 02325 153.357 12.736 30.611 1.00737.35 O ATOM 48857 C2* A 02325 151.520 13.793 31.837 1.00737.35 C ATOM 48858 O2* A 02325 152.464 14.081 32.850 1.00737.35 O ATOM 48859 C1* A 02325 150.698 15.043 31.519 1.00737.35 C ATOM 48860 N9 A 02325 149.312 14.745 31.149 1.00737.35 N ATOM 48861 C8 A 02325 148.793 14.522 29.894 1.00737.35 C ATOM 48862 N7 A 02325 147.506 14.273 29.892 1.00737.35 N ATOM 48863 C5 A 02325 147.151 14.335 31.231 1.00737.35 C ATOM 48864 C6 A 02325 145.923 14.164 31.895 1.00737.35 C ATOM 48865 N6 A 02325 144.777 13.884 31.271 1.00737.35 N ATOM 48866 N1 A 02325 145.912 14.292 33.239 1.00737.35 N ATOM 48867 C2 A 02325 147.061 14.574 33.864 1.00737.35 C ATOM 48868 N3 A 02325 148.276 14.758 33.355 1.00737.35 N ATOM 48869 C4 A 02325 148.253 14.624 32.017 1.00737.35 C ATOM 48870 P C 02326 153.269 11.175 31.004 1.00737.35 P ATOM 48871 O1P C 02326 152.318 10.532 30.062 1.00737.35 O ATOM 48872 O2P C 02326 153.029 11.081 32.465 1.00737.35 O ATOM 48873 O5* C 02326 154.735 10.613 30.709 1.00737.35 O ATOM 48874 C5* C 02326 155.063 10.050 29.440 1.00737.35 C ATOM 48875 C4* C 02326 155.670 8.677 29.620 1.00737.35 C ATOM 48876 O4* C 02326 155.756 8.013 28.333 1.00737.35 O ATOM 48877 C3* C 02326 157.093 8.640 30.153 1.00737.35 C ATOM 48878 O3* C 02326 157.118 8.752 31.572 1.00737.35 O ATOM 48879 C2* C 02326 157.574 7.273 29.680 1.00737.35 C ATOM 48880 O2* C 02326 157.149 6.212 30.513 1.00737.35 O ATOM 48881 C1* C 02326 156.892 7.162 28.313 1.00737.35 C ATOM 48882 N1 C 02326 157.764 7.553 27.186 1.00737.35 N ATOM 48883 C2 C 02326 158.522 6.560 26.542 1.00737.35 C ATOM 48884 O2 C 02326 158.438 5.383 26.928 1.00737.35 O ATOM 48885 N3 C 02326 159.327 6.912 25.512 1.00737.35 N ATOM 48886 C4 C 02326 159.394 8.187 25.120 1.00737.35 C ATOM 48887 N4 C 02326 160.204 8.485 24.102 1.00737.35 N ATOM 48888 C5 C 02326 158.636 9.210 25.755 1.00737.35 C ATOM 48889 C6 C 02326 157.842 8.854 26.773 1.00737.35 C ATOM 48890 P U 02327 158.450 9.281 32.307 1.00737.35 P ATOM 48891 O1P U 02327 158.146 9.374 33.757 1.00737.35 O ATOM 48892 O2P U 02327 158.943 10.482 31.584 1.00737.35 O ATOM 48893 O5* U 02327 159.499 8.103 32.089 1.00737.35 O ATOM 48894 C5* U 02327 159.296 6.821 32.685 1.00737.35 C ATOM 48895 C4* U 02327 160.322 5.833 32.185 1.00737.35 C ATOM 48896 O4* U 02327 160.149 5.628 30.759 1.00737.35 O ATOM 48897 C3* U 02327 161.777 6.254 32.319 1.00737.35 C ATOM 48898 O3* U 02327 162.271 5.993 33.627 1.00737.35 O ATOM 48899 C2* U 02327 162.460 5.384 31.270 1.00737.35 C ATOM 48900 O2* U 02327 162.709 4.065 31.716 1.00737.35 O ATOM 48901 C1* U 02327 161.409 5.367 30.157 1.00737.35 C ATOM 48902 N1 U 02327 161.655 6.368 29.104 1.00737.35 N ATOM 48903 C2 U 02327 162.454 5.996 28.031 1.00737.35 C ATOM 48904 O2 U 02327 162.952 4.885 27.924 1.00737.35 O ATOM 48905 N3 U 02327 162.650 6.975 27.089 1.00737.35 N ATOM 48906 C4 U 02327 162.142 8.257 27.104 1.00737.35 C ATOM 48907 O4 U 02327 162.406 9.023 26.172 1.00737.35 O ATOM 48908 C5 U 02327 161.329 8.565 28.237 1.00737.35 C ATOM 48909 C6 U 02327 161.115 7.636 29.174 1.00737.35 C ATOM 48910 P G 02328 163.482 6.877 34.210 1.00737.35 P ATOM 48911 O1P G 02328 163.713 6.439 35.611 1.00737.35 O ATOM 48912 O2P G 02328 163.201 8.306 33.928 1.00737.35 O ATOM 48913 O5* G 02328 164.734 6.433 33.330 1.00737.35 O ATOM 48914 C5* G 02328 165.415 5.207 33.587 1.00737.35 C ATOM 48915 C4* G 02328 166.617 5.067 32.680 1.00737.35 C ATOM 48916 O4* G 02328 166.177 4.891 31.305 1.00737.35 O ATOM 48917 C3* G 02328 167.547 6.267 32.614 1.00737.35 C ATOM 48918 O3* G 02328 168.452 6.297 33.710 1.00737.35 O ATOM 48919 C2* G 02328 168.257 6.049 31.285 1.00737.35 C ATOM 48920 O2* G 02328 169.318 5.118 31.367 1.00737.35 O ATOM 48921 C1* G 02328 167.128 5.475 30.425 1.00737.35 C ATOM 48922 N9 G 02328 166.458 6.481 29.606 1.00737.35 N ATOM 48923 C8 G 02328 165.275 7.130 29.878 1.00737.35 C ATOM 48924 N7 G 02328 164.935 7.986 28.954 1.00737.35 N ATOM 48925 C5 G 02328 165.951 7.899 28.011 1.00737.35 C ATOM 48926 C6 G 02328 166.131 8.592 26.786 1.00737.35 C ATOM 48927 O6 G 02328 165.401 9.447 26.270 1.00737.35 O ATOM 48928 N1 G 02328 167.299 8.198 26.143 1.00737.35 N ATOM 48929 C2 G 02328 168.184 7.261 26.615 1.00737.35 C ATOM 48930 N2 G 02328 169.257 7.019 25.848 1.00737.35 N ATOM 48931 N3 G 02328 168.029 6.609 27.756 1.00737.35 N ATOM 48932 C4 G 02328 166.899 6.974 28.399 1.00737.35 C ATOM 48933 P C 02329 169.024 7.706 34.228 1.00737.35 P ATOM 48934 O1P C 02329 170.060 7.421 35.253 1.00737.35 O ATOM 48935 O2P C 02329 167.872 8.579 34.574 1.00737.35 O ATOM 48936 O5* C 02329 169.749 8.312 32.945 1.00737.35 O ATOM 48937 C5* C 02329 170.097 9.692 32.872 1.00737.35 C ATOM 48938 C4* C 02329 170.978 9.943 31.673 1.00737.35 C ATOM 48939 O4* C 02329 170.289 9.510 30.469 1.00737.35 O ATOM 48940 C3* C 02329 171.318 11.398 31.395 1.00737.35 C ATOM 48941 O3* C 02329 172.426 11.826 32.182 1.00737.35 O ATOM 48942 C2* C 02329 171.667 11.365 29.912 1.00737.35 C ATOM 48943 O2* C 02329 172.983 10.913 29.662 1.00737.35 O ATOM 48944 C1* C 02329 170.659 10.344 29.382 1.00737.35 C ATOM 48945 N1 C 02329 169.442 10.962 28.813 1.00737.35 N ATOM 48946 C2 C 02329 169.465 11.394 27.474 1.00737.35 C ATOM 48947 O2 C 02329 170.498 11.240 26.803 1.00737.35 O ATOM 48948 N3 C 02329 168.359 11.969 26.950 1.00737.35 N ATOM 48949 C4 C 02329 167.265 12.123 27.698 1.00737.35 C ATOM 48950 N4 C 02329 166.200 12.700 27.136 1.00737.35 N ATOM 48951 C5 C 02329 167.213 11.692 29.056 1.00737.35 C ATOM 48952 C6 C 02329 168.312 11.124 29.568 1.00737.35 C ATOM 48953 P G 02330 172.379 13.253 32.920 1.00737.35 P ATOM 48954 O1P G 02330 173.764 13.571 33.355 1.00737.35 O ATOM 48955 O2P G 02330 171.285 13.224 33.924 1.00737.35 O ATOM 48956 O5* G 02330 171.973 14.281 31.772 1.00737.35 O ATOM 48957 C5* G 02330 172.686 14.325 30.536 1.00737.35 C ATOM 48958 C4* G 02330 171.900 15.106 29.506 1.00737.35 C ATOM 48959 O4* G 02330 170.598 14.487 29.327 1.00737.35 O ATOM 48960 C3* G 02330 171.585 16.545 29.881 1.00737.35 C ATOM 48961 O3* G 02330 172.675 17.389 29.525 1.00737.35 O ATOM 48962 C2* G 02330 170.349 16.835 29.037 1.00737.35 C ATOM 48963 O2* G 02330 170.655 17.167 27.698 1.00737.35 O ATOM 48964 C1* G 02330 169.625 15.488 29.081 1.00737.35 C ATOM 48965 N9 G 02330 168.600 15.403 30.121 1.00737.35 N ATOM 48966 C8 G 02330 168.785 15.102 31.448 1.00737.35 C ATOM 48967 N7 G 02330 167.673 15.102 32.133 1.00737.35 N ATOM 48968 C5 G 02330 166.694 15.422 31.201 1.00737.35 C ATOM 48969 C6 G 02330 165.291 15.570 31.358 1.00737.35 C ATOM 48970 O6 G 02330 164.611 15.443 32.382 1.00737.35 O ATOM 48971 N1 G 02330 164.676 15.900 30.154 1.00737.35 N ATOM 48972 C2 G 02330 165.325 16.069 28.956 1.00737.35 C ATOM 48973 N2 G 02330 164.554 16.386 27.906 1.00737.35 N ATOM 48974 N3 G 02330 166.632 15.933 28.796 1.00737.35 N ATOM 48975 C4 G 02330 167.250 15.613 29.952 1.00737.35 C ATOM 48976 P A 02331 173.435 18.236 30.658 1.00737.35 P ATOM 48977 O1P A 02331 173.716 17.323 31.797 1.00737.35 O ATOM 48978 O2P A 02331 172.679 19.491 30.896 1.00737.35 O ATOM 48979 O5* A 02331 174.824 18.615 29.973 1.00737.35 O ATOM 48980 C5* A 02331 175.782 17.605 29.655 1.00737.35 C ATOM 48981 C4* A 02331 176.422 17.888 28.316 1.00737.35 C ATOM 48982 O4* A 02331 175.413 17.813 27.274 1.00737.35 O ATOM 48983 C3* A 02331 177.027 19.275 28.157 1.00737.35 C ATOM 48984 O3* A 02331 178.354 19.311 28.675 1.00737.35 O ATOM 48985 C2* A 02331 177.008 19.465 26.643 1.00737.35 C ATOM 48986 O2* A 02331 178.092 18.835 25.992 1.00737.35 O ATOM 48987 C1* A 02331 175.700 18.765 26.263 1.00737.35 C ATOM 48988 N9 A 02331 174.558 19.675 26.140 1.00737.35 N ATOM 48989 C8 A 02331 173.598 19.963 27.081 1.00737.35 C ATOM 48990 N7 A 02331 172.698 20.822 26.669 1.00737.35 N ATOM 48991 C5 A 02331 173.087 21.120 25.374 1.00737.35 C ATOM 48992 C6 A 02331 172.546 21.972 24.395 1.00737.35 C ATOM 48993 N6 A 02331 171.445 22.708 24.578 1.00737.35 N ATOM 48994 N1 A 02331 173.178 22.044 23.203 1.00737.35 N ATOM 48995 C2 A 02331 174.279 21.307 23.019 1.00737.35 C ATOM 48996 N3 A 02331 174.886 20.470 23.859 1.00737.35 N ATOM 48997 C4 A 02331 174.233 20.423 25.033 1.00737.35 C ATOM 48998 P G 02332 178.770 20.456 29.725 1.00737.35 P ATOM 48999 O1P G 02332 180.253 20.460 29.809 1.00737.35 O ATOM 49000 O2P G 02332 177.966 20.270 30.960 1.00737.35 O ATOM 49001 O5* G 02332 178.305 21.812 29.028 1.00737.35 O ATOM 49002 C5* G 02332 178.833 22.206 27.764 1.00737.35 C ATOM 49003 C4* G 02332 177.925 23.224 27.113 1.00737.35 C ATOM 49004 O4* G 02332 176.626 22.619 26.872 1.00737.35 O ATOM 49005 C3* G 02332 177.616 24.458 27.947 1.00737.35 C ATOM 49006 O3* G 02332 178.633 25.443 27.813 1.00737.35 O ATOM 49007 C2* G 02332 176.289 24.922 27.355 1.00737.35 C ATOM 49008 O2* G 02332 176.441 25.652 26.154 1.00737.35 O ATOM 49009 C1* G 02332 175.603 23.584 27.067 1.00737.35 C ATOM 49010 N9 G 02332 174.738 23.134 28.155 1.00737.35 N ATOM 49011 C8 G 02332 175.064 22.271 29.176 1.00737.35 C ATOM 49012 N7 G 02332 174.077 22.060 30.004 1.00737.35 N ATOM 49013 C5 G 02332 173.037 22.828 29.502 1.00737.35 C ATOM 49014 C6 G 02332 171.710 23.004 29.979 1.00737.35 C ATOM 49015 O6 G 02332 171.172 22.497 30.972 1.00737.35 O ATOM 49016 N1 G 02332 170.988 23.873 29.167 1.00737.35 N ATOM 49017 C2 G 02332 171.473 24.492 28.042 1.00737.35 C ATOM 49018 N2 G 02332 170.618 25.296 27.394 1.00737.35 N ATOM 49019 N3 G 02332 172.706 24.339 27.588 1.00737.35 N ATOM 49020 C4 G 02332 173.427 23.499 28.360 1.00737.35 C ATOM 49021 P A 02333 178.848 26.532 28.977 1.00737.35 P ATOM 49022 O1P A 02333 179.860 27.504 28.496 1.00737.35 O ATOM 49023 O2P A 02333 179.070 25.812 30.257 1.00737.35 O ATOM 49024 O5* A 02333 177.443 27.280 29.056 1.00737.35 O ATOM 49025 C5* A 02333 177.126 28.139 30.148 1.00737.35 C ATOM 49026 C4* A 02333 175.760 28.752 29.945 1.00737.35 C ATOM 49027 O4* A 02333 174.778 27.695 29.771 1.00737.35 O ATOM 49028 C3* A 02333 175.230 29.570 31.112 1.00737.35 C ATOM 49029 O3* A 02333 175.726 30.903 31.065 1.00737.35 O ATOM 49030 C2* A 02333 173.722 29.510 30.890 1.00737.35 C ATOM 49031 O2* A 02333 173.265 30.429 29.919 1.00737.35 O ATOM 49032 C1* A 02333 173.550 28.079 30.369 1.00737.35 C ATOM 49033 N9 A 02333 173.224 27.113 31.420 1.00737.35 N ATOM 49034 C8 A 02333 174.089 26.410 32.225 1.00737.35 C ATOM 49035 N7 A 02333 173.491 25.614 33.077 1.00737.35 N ATOM 49036 C5 A 02333 172.140 25.803 32.819 1.00737.35 C ATOM 49037 C6 A 02333 170.982 25.244 33.388 1.00737.35 C ATOM 49038 N6 A 02333 171.001 24.347 34.376 1.00737.35 N ATOM 49039 N1 A 02333 169.788 25.647 32.901 1.00737.35 N ATOM 49040 C2 A 02333 169.771 26.547 31.909 1.00737.35 C ATOM 49041 N3 A 02333 170.788 27.143 31.294 1.00737.35 N ATOM 49042 C4 A 02333 171.961 26.722 31.800 1.00737.35 C ATOM 49043 P C 02334 175.785 31.782 32.411 1.00737.35 P ATOM 49044 O1P C 02334 176.499 33.043 32.083 1.00737.35 O ATOM 49045 O2P C 02334 176.283 30.923 33.515 1.00737.35 O ATOM 49046 O5* C 02334 174.258 32.133 32.704 1.00737.35 O ATOM 49047 C5* C 02334 173.537 33.032 31.862 1.00737.35 C ATOM 49048 C4* C 02334 172.105 33.155 32.328 1.00737.35 C ATOM 49049 O4* C 02334 171.434 31.879 32.167 1.00737.35 O ATOM 49050 C3* C 02334 171.914 33.500 33.795 1.00737.35 C ATOM 49051 O3* C 02334 172.003 34.906 34.003 1.00737.35 O ATOM 49052 C2* C 02334 170.515 32.966 34.075 1.00737.35 C ATOM 49053 O2* C 02334 169.490 33.846 33.656 1.00737.35 O ATOM 49054 C1* C 02334 170.492 31.699 33.214 1.00737.35 C ATOM 49055 N1 C 02334 170.833 30.469 33.956 1.00737.35 N ATOM 49056 C2 C 02334 169.808 29.763 34.612 1.00737.35 C ATOM 49057 O2 C 02334 168.644 30.194 34.556 1.00737.35 O ATOM 49058 N3 C 02334 170.116 28.636 35.291 1.00737.35 N ATOM 49059 C4 C 02334 171.378 28.202 35.332 1.00737.35 C ATOM 49060 N4 C 02334 171.632 27.083 36.014 1.00737.35 N ATOM 49061 C5 C 02334 172.436 28.896 34.676 1.00737.35 C ATOM 49062 C6 C 02334 172.123 30.012 34.007 1.00737.35 C ATOM 49063 P U 02335 172.657 35.472 35.361 1.00737.35 P ATOM 49064 O1P U 02335 172.732 36.951 35.226 1.00737.35 O ATOM 49065 O2P U 02335 173.892 34.700 35.648 1.00737.35 O ATOM 49066 O5* U 02335 171.579 35.123 36.481 1.00737.35 O ATOM 49067 C5* U 02335 170.351 35.845 36.569 1.00737.35 C ATOM 49068 C4* U 02335 169.499 35.303 37.693 1.00737.35 C ATOM 49069 O4* U 02335 169.111 33.939 37.388 1.00737.35 O ATOM 49070 C3* U 02335 170.181 35.206 39.051 1.00737.35 C ATOM 49071 O3* U 02335 170.123 36.452 39.740 1.00737.35 O ATOM 49072 C2* U 02335 169.361 34.129 39.749 1.00737.35 C ATOM 49073 O2* U 02335 168.152 34.620 40.298 1.00737.35 O ATOM 49074 C1* U 02335 169.051 33.180 38.588 1.00737.35 C ATOM 49075 N1 U 02335 169.990 32.049 38.481 1.00737.35 N ATOM 49076 C2 U 02335 169.707 30.900 39.206 1.00737.35 C ATOM 49077 O2 U 02335 168.724 30.786 39.922 1.00737.35 O ATOM 49078 N3 U 02335 170.622 29.886 39.061 1.00737.35 N ATOM 49079 C4 U 02335 171.762 29.897 38.285 1.00737.35 C ATOM 49080 O4 U 02335 172.482 28.897 38.255 1.00737.35 O ATOM 49081 C5 U 02335 171.985 31.114 37.569 1.00737.35 C ATOM 49082 C6 U 02335 171.117 32.123 37.687 1.00737.35 C ATOM 49083 P G 02336 171.341 36.892 40.693 1.00737.35 P ATOM 49084 O1P G 02336 170.990 38.213 41.274 1.00737.35 O ATOM 49085 O2P G 02336 172.611 36.737 39.939 1.00737.35 O ATOM 49086 O5* G 02336 171.323 35.813 41.867 1.00737.35 O ATOM 49087 C5* G 02336 170.223 35.730 42.772 1.00737.35 C ATOM 49088 C4* G 02336 170.345 34.494 43.634 1.00737.35 C ATOM 49089 O4* G 02336 170.292 33.315 42.788 1.00737.35 O ATOM 49090 C3* G 02336 171.649 34.348 44.403 1.00737.35 C ATOM 49091 O3* G 02336 171.612 35.072 45.628 1.00737.35 O ATOM 49092 C2* G 02336 171.718 32.842 44.632 1.00737.35 C ATOM 49093 O2* G 02336 170.914 32.411 45.712 1.00737.35 O ATOM 49094 C1* G 02336 171.146 32.311 43.317 1.00737.35 C ATOM 49095 N9 G 02336 172.172 32.005 42.322 1.00737.35 N ATOM 49096 C8 G 02336 172.802 32.894 41.477 1.00737.35 C ATOM 49097 N7 G 02336 173.683 32.324 40.703 1.00737.35 N ATOM 49098 C5 G 02336 173.635 30.982 41.056 1.00737.35 C ATOM 49099 C6 G 02336 174.372 29.875 40.556 1.00737.35 C ATOM 49100 O6 G 02336 175.240 29.860 39.675 1.00737.35 O ATOM 49101 N1 G 02336 174.009 28.692 41.191 1.00737.35 N ATOM 49102 C2 G 02336 173.062 28.584 42.180 1.00737.35 C ATOM 49103 N2 G 02336 172.853 27.353 42.668 1.00737.35 N ATOM 49104 N3 G 02336 172.371 29.608 42.657 1.00737.35 N ATOM 49105 C4 G 02336 172.707 30.768 42.051 1.00737.35 C ATOM 49106 P A 02337 172.954 35.750 46.196 1.00737.35 P ATOM 49107 O1P A 02337 172.606 36.410 47.481 1.00737.35 O ATOM 49108 O2P A 02337 173.572 36.550 45.105 1.00737.35 O ATOM 49109 O5* A 02337 173.904 34.511 46.521 1.00737.35 O ATOM 49110 C5* A 02337 175.325 34.640 46.484 1.00737.35 C ATOM 49111 C4* A 02337 175.972 33.618 47.389 1.00737.35 C ATOM 49112 O4* A 02337 175.610 33.898 48.766 1.00737.35 O ATOM 49113 C3* A 02337 175.546 32.173 47.170 1.00737.35 C ATOM 49114 O3* A 02337 176.306 31.566 46.130 1.00737.35 O ATOM 49115 C2* A 02337 175.842 31.541 48.526 1.00737.35 C ATOM 49116 O2* A 02337 177.204 31.194 48.691 1.00737.35 O ATOM 49117 C1* A 02337 175.478 32.680 49.481 1.00737.35 C ATOM 49118 N9 A 02337 174.114 32.594 50.008 1.00737.35 N ATOM 49119 C8 A 02337 172.994 33.267 49.578 1.00737.35 C ATOM 49120 N7 A 02337 171.911 32.979 50.255 1.00737.35 N ATOM 49121 C5 A 02337 172.342 32.053 51.195 1.00737.35 C ATOM 49122 C6 A 02337 171.670 31.359 52.217 1.00737.35 C ATOM 49123 N6 A 02337 170.367 31.494 52.470 1.00737.35 N ATOM 49124 N1 A 02337 172.391 30.506 52.976 1.00737.35 N ATOM 49125 C2 A 02337 173.697 30.367 52.722 1.00737.35 C ATOM 49126 N3 A 02337 174.443 30.965 51.792 1.00737.35 N ATOM 49127 C4 A 02337 173.696 31.805 51.054 1.00737.35 C ATOM 49128 P C 02338 175.637 30.424 45.217 1.00737.35 P ATOM 49129 O1P C 02338 176.687 29.928 44.288 1.00737.35 O ATOM 49130 O2P C 02338 174.365 30.957 44.663 1.00737.35 O ATOM 49131 O5* C 02338 175.282 29.258 46.243 1.00737.35 O ATOM 49132 C5* C 02338 176.310 28.512 46.893 1.00737.35 C ATOM 49133 C4* C 02338 175.719 27.639 47.975 1.00737.35 C ATOM 49134 O4* C 02338 175.113 28.480 48.992 1.00737.35 O ATOM 49135 C3* C 02338 174.600 26.706 47.532 1.00737.35 C ATOM 49136 O3* C 02338 175.125 25.492 47.006 1.00737.35 O ATOM 49137 C2* C 02338 173.833 26.481 48.832 1.00737.35 C ATOM 49138 O2* C 02338 174.428 25.508 49.666 1.00737.35 O ATOM 49139 C1* C 02338 173.935 27.860 49.487 1.00737.35 C ATOM 49140 N1 C 02338 172.783 28.739 49.202 1.00737.35 N ATOM 49141 C2 C 02338 171.641 28.656 50.021 1.00737.35 C ATOM 49142 O2 C 02338 171.626 27.844 50.961 1.00737.35 O ATOM 49143 N3 C 02338 170.586 29.463 49.764 1.00737.35 N ATOM 49144 C4 C 02338 170.635 30.324 48.745 1.00737.35 C ATOM 49145 N4 C 02338 169.571 31.101 48.531 1.00737.35 N ATOM 49146 C5 C 02338 171.777 30.428 47.900 1.00737.35 C ATOM 49147 C6 C 02338 172.816 29.628 48.162 1.00737.35 C ATOM 49148 P A 02339 174.293 24.677 45.895 1.00737.35 P ATOM 49149 O1P A 02339 175.097 23.482 45.530 1.00737.35 O ATOM 49150 O2P A 02339 173.867 25.625 44.835 1.00737.35 O ATOM 49151 O5* A 02339 172.993 24.184 46.673 1.00737.35 O ATOM 49152 C5* A 02339 173.086 23.241 47.740 1.00737.35 C ATOM 49153 C4* A 02339 171.777 23.163 48.490 1.00737.35 C ATOM 49154 O4* A 02339 171.488 24.457 49.084 1.00737.35 O ATOM 49155 C3* A 02339 170.550 22.853 47.644 1.00737.35 C ATOM 49156 O3* A 02339 170.388 21.452 47.447 1.00737.35 O ATOM 49157 C2* A 02339 169.424 23.441 48.487 1.00737.35 C ATOM 49158 O2* A 02339 169.025 22.598 49.552 1.00737.35 O ATOM 49159 C1* A 02339 170.091 24.701 49.042 1.00737.35 C ATOM 49160 N9 A 02339 169.850 25.888 48.217 1.00737.35 N ATOM 49161 C8 A 02339 170.650 26.408 47.228 1.00737.35 C ATOM 49162 N7 A 02339 170.159 27.480 46.660 1.00737.35 N ATOM 49163 C5 A 02339 168.952 27.684 47.316 1.00737.35 C ATOM 49164 C6 A 02339 167.952 28.662 47.176 1.00737.35 C ATOM 49165 N6 A 02339 168.009 29.658 46.291 1.00737.35 N ATOM 49166 N1 A 02339 166.874 28.577 47.987 1.00737.35 N ATOM 49167 C2 A 02339 166.817 27.578 48.873 1.00737.35 C ATOM 49168 N3 A 02339 167.692 26.599 49.101 1.00737.35 N ATOM 49169 C4 A 02339 168.751 26.710 48.280 1.00737.35 C ATOM 49170 P C 02340 169.654 20.917 46.123 1.00737.35 P ATOM 49171 O1P C 02340 169.391 19.468 46.316 1.00737.35 O ATOM 49172 O2P C 02340 170.435 21.370 44.942 1.00737.35 O ATOM 49173 O5* C 02340 168.254 21.677 46.128 1.00737.35 O ATOM 49174 C5* C 02340 167.495 21.836 44.933 1.00737.35 C ATOM 49175 C4* C 02340 166.403 22.858 45.142 1.00737.35 C ATOM 49176 O4* C 02340 166.990 24.105 45.596 1.00737.35 O ATOM 49177 C3* C 02340 165.623 23.244 43.895 1.00737.35 C ATOM 49178 O3* C 02340 164.565 22.323 43.643 1.00737.35 O ATOM 49179 C2* C 02340 165.094 24.626 44.258 1.00737.35 C ATOM 49180 O2* C 02340 163.938 24.583 45.073 1.00737.35 O ATOM 49181 C1* C 02340 166.269 25.201 45.053 1.00737.35 C ATOM 49182 N1 C 02340 167.190 26.020 44.236 1.00737.35 N ATOM 49183 C2 C 02340 166.906 27.387 44.058 1.00737.35 C ATOM 49184 O2 C 02340 165.895 27.870 44.591 1.00737.35 O ATOM 49185 N3 C 02340 167.742 28.139 43.306 1.00737.35 N ATOM 49186 C4 C 02340 168.821 27.584 42.747 1.00737.35 C ATOM 49187 N4 C 02340 169.618 28.366 42.013 1.00737.35 N ATOM 49188 C5 C 02340 169.134 26.204 42.913 1.00737.35 C ATOM 49189 C6 C 02340 168.300 25.467 43.658 1.00737.35 C ATOM 49190 P G 02341 164.215 21.906 42.130 1.00737.35 P ATOM 49191 O1P G 02341 162.974 21.090 42.173 1.00737.35 O ATOM 49192 O2P G 02341 165.440 21.343 41.506 1.00737.35 O ATOM 49193 O5* G 02341 163.883 23.289 41.413 1.00737.35 O ATOM 49194 C5* G 02341 162.721 24.039 41.763 1.00737.35 C ATOM 49195 C4* G 02341 162.644 25.304 40.939 1.00737.35 C ATOM 49196 O4* G 02341 163.766 26.164 41.267 1.00737.35 O ATOM 49197 C3* G 02341 162.739 25.116 39.435 1.00737.35 C ATOM 49198 O3* G 02341 161.472 24.788 38.874 1.00737.35 O ATOM 49199 C2* G 02341 163.235 26.481 38.969 1.00737.35 C ATOM 49200 O2* G 02341 162.204 27.444 38.876 1.00737.35 O ATOM 49201 C1* G 02341 164.195 26.855 40.103 1.00737.35 C ATOM 49202 N9 G 02341 165.583 26.492 39.831 1.00737.35 N ATOM 49203 C8 G 02341 166.260 25.385 40.286 1.00737.35 C ATOM 49204 N7 G 02341 167.497 25.332 39.871 1.00737.35 N ATOM 49205 C5 G 02341 167.649 26.473 39.095 1.00737.35 C ATOM 49206 C6 G 02341 168.775 26.955 38.378 1.00737.35 C ATOM 49207 O6 G 02341 169.904 26.453 38.287 1.00737.35 O ATOM 49208 N1 G 02341 168.492 28.149 37.723 1.00737.35 N ATOM 49209 C2 G 02341 167.283 28.798 37.749 1.00737.35 C ATOM 49210 N2 G 02341 167.209 29.940 37.053 1.00737.35 N ATOM 49211 N3 G 02341 166.226 28.360 38.415 1.00737.35 N ATOM 49212 C4 G 02341 166.477 27.200 39.058 1.00737.35 C ATOM 49213 P U 02342 161.398 23.919 37.524 1.00737.35 P ATOM 49214 O1P U 02342 159.962 23.666 37.242 1.00737.35 O ATOM 49215 O2P U 02342 162.332 22.770 37.650 1.00737.35 O ATOM 49216 O5* U 02342 161.962 24.899 36.402 1.00737.35 O ATOM 49217 C5* U 02342 161.236 26.062 36.013 1.00737.35 C ATOM 49218 C4* U 02342 161.965 26.797 34.912 1.00737.35 C ATOM 49219 O4* U 02342 163.229 27.301 35.417 1.00737.35 O ATOM 49220 C3* U 02342 162.350 25.967 33.698 1.00737.35 C ATOM 49221 O3* U 02342 161.258 25.856 32.789 1.00737.35 O ATOM 49222 C2* U 02342 163.508 26.766 33.113 1.00737.35 C ATOM 49223 O2* U 02342 163.085 27.867 32.332 1.00737.35 O ATOM 49224 C1* U 02342 164.202 27.270 34.385 1.00737.35 C ATOM 49225 N1 U 02342 165.328 26.425 34.818 1.00737.35 N ATOM 49226 C2 U 02342 166.581 26.689 34.282 1.00737.35 C ATOM 49227 O2 U 02342 166.788 27.581 33.473 1.00737.35 O ATOM 49228 N3 U 02342 167.587 25.867 34.728 1.00737.35 N ATOM 49229 C4 U 02342 167.476 24.831 35.633 1.00737.35 C ATOM 49230 O4 U 02342 168.478 24.183 35.936 1.00737.35 O ATOM 49231 C5 U 02342 166.157 24.621 36.141 1.00737.35 C ATOM 49232 C6 U 02342 165.153 25.403 35.728 1.00737.35 C ATOM 49233 P C 02343 161.218 24.643 31.733 1.00737.35 P ATOM 49234 O1P C 02343 159.836 24.578 31.193 1.00737.35 O ATOM 49235 O2P C 02343 161.816 23.437 32.363 1.00737.35 O ATOM 49236 O5* C 02343 162.187 25.123 30.562 1.00737.35 O ATOM 49237 C5* C 02343 161.860 26.256 29.760 1.00737.35 C ATOM 49238 C4* C 02343 162.935 26.499 28.727 1.00737.35 C ATOM 49239 O4* C 02343 164.183 26.823 29.396 1.00737.35 O ATOM 49240 C3* C 02343 163.285 25.316 27.837 1.00737.35 C ATOM 49241 O3* C 02343 162.383 25.222 26.739 1.00737.35 O ATOM 49242 C2* C 02343 164.699 25.661 27.383 1.00737.35 C ATOM 49243 O2* C 02343 164.731 26.573 26.303 1.00737.35 O ATOM 49244 C1* C 02343 165.274 26.325 28.637 1.00737.35 C ATOM 49245 N1 C 02343 166.068 25.411 29.483 1.00737.35 N ATOM 49246 C2 C 02343 167.435 25.243 29.199 1.00737.35 C ATOM 49247 O2 C 02343 167.938 25.867 28.250 1.00737.35 O ATOM 49248 N3 C 02343 168.171 24.408 29.968 1.00737.35 N ATOM 49249 C4 C 02343 167.599 23.753 30.981 1.00737.35 C ATOM 49250 N4 C 02343 168.366 22.941 31.713 1.00737.35 N ATOM 49251 C5 C 02343 166.216 23.903 31.291 1.00737.35 C ATOM 49252 C6 C 02343 165.496 24.733 30.525 1.00737.35 C ATOM 49253 P G 02344 161.963 23.774 26.174 1.00737.35 P ATOM 49254 O1P G 02344 161.071 23.998 25.008 1.00737.35 O ATOM 49255 O2P G 02344 161.489 22.946 27.311 1.00737.35 O ATOM 49256 O5* G 02344 163.329 23.153 25.641 1.00737.35 O ATOM 49257 C5* G 02344 164.079 23.796 24.610 1.00737.35 C ATOM 49258 C4* G 02344 165.466 23.202 24.523 1.00737.35 C ATOM 49259 O4* G 02344 166.144 23.398 25.791 1.00737.35 O ATOM 49260 C3* G 02344 165.524 21.700 24.291 1.00737.35 C ATOM 49261 O3* G 02344 165.447 21.392 22.904 1.00737.35 O ATOM 49262 C2* G 02344 166.888 21.338 24.866 1.00737.35 C ATOM 49263 O2* G 02344 167.955 21.608 23.978 1.00737.35 O ATOM 49264 C1* G 02344 166.969 22.278 26.070 1.00737.35 C ATOM 49265 N9 G 02344 166.511 21.665 27.315 1.00737.35 N ATOM 49266 C8 G 02344 165.218 21.590 27.782 1.00737.35 C ATOM 49267 N7 G 02344 165.123 20.973 28.928 1.00737.35 N ATOM 49268 C5 G 02344 166.431 20.620 29.239 1.00737.35 C ATOM 49269 C6 G 02344 166.953 19.929 30.362 1.00737.35 C ATOM 49270 O6 G 02344 166.347 19.474 31.341 1.00737.35 O ATOM 49271 N1 G 02344 168.334 19.784 30.277 1.00737.35 N ATOM 49272 C2 G 02344 169.114 20.244 29.244 1.00737.35 C ATOM 49273 N2 G 02344 170.428 20.007 29.344 1.00737.35 N ATOM 49274 N3 G 02344 168.639 20.888 28.191 1.00737.35 N ATOM 49275 C4 G 02344 167.298 21.040 28.253 1.00737.35 C ATOM 49276 P A 02345 164.589 20.124 22.413 1.00737.35 P ATOM 49277 O1P A 02345 163.203 20.596 22.163 1.00737.35 O ATOM 49278 O2P A 02345 164.820 18.998 23.356 1.00737.35 O ATOM 49279 O5* A 02345 165.246 19.737 21.013 1.00737.35 O ATOM 49280 C5* A 02345 165.253 20.657 19.924 1.00737.35 C ATOM 49281 C4* A 02345 166.560 20.563 19.170 1.00737.35 C ATOM 49282 O4* A 02345 167.645 20.988 20.039 1.00737.35 O ATOM 49283 C3* A 02345 166.960 19.164 18.723 1.00737.35 C ATOM 49284 O3* A 02345 166.351 18.827 17.483 1.00737.35 O ATOM 49285 C2* A 02345 168.473 19.289 18.599 1.00737.35 C ATOM 49286 O2* A 02345 168.885 19.892 17.388 1.00737.35 O ATOM 49287 C1* A 02345 168.800 20.206 19.777 1.00737.35 C ATOM 49288 N9 A 02345 169.155 19.478 20.998 1.00737.35 N ATOM 49289 C8 A 02345 168.323 19.076 22.016 1.00737.35 C ATOM 49290 N7 A 02345 168.937 18.437 22.980 1.00737.35 N ATOM 49291 C5 A 02345 170.263 18.414 22.573 1.00737.35 C ATOM 49292 C6 A 02345 171.423 17.878 23.160 1.00737.35 C ATOM 49293 N6 A 02345 171.433 17.238 24.331 1.00737.35 N ATOM 49294 N1 A 02345 172.591 18.028 22.494 1.00737.35 N ATOM 49295 C2 A 02345 172.580 18.671 21.321 1.00737.35 C ATOM 49296 N3 A 02345 171.556 19.218 20.667 1.00737.35 N ATOM 49297 C4 A 02345 170.413 19.053 21.355 1.00737.35 C ATOM 49298 P G 02346 165.730 17.359 17.273 1.00737.35 P ATOM 49299 O1P G 02346 165.444 17.199 15.825 1.00737.35 O ATOM 49300 O2P G 02346 164.635 17.169 18.261 1.00737.35 O ATOM 49301 O5* G 02346 166.922 16.372 17.657 1.00737.35 O ATOM 49302 C5* G 02346 168.145 16.380 16.924 1.00737.35 C ATOM 49303 C4* G 02346 169.184 15.533 17.623 1.00737.35 C ATOM 49304 O4* G 02346 169.468 16.098 18.931 1.00737.35 O ATOM 49305 C3* G 02346 168.785 14.097 17.918 1.00737.35 C ATOM 49306 O3* G 02346 168.991 13.262 16.784 1.00737.35 O ATOM 49307 C2* G 02346 169.716 13.737 19.071 1.00737.35 C ATOM 49308 O2* G 02346 171.020 13.393 18.646 1.00737.35 O ATOM 49309 C1* G 02346 169.757 15.054 19.850 1.00737.35 C ATOM 49310 N9 G 02346 168.782 15.107 20.938 1.00737.35 N ATOM 49311 C8 G 02346 167.515 15.642 20.900 1.00737.35 C ATOM 49312 N7 G 02346 166.878 15.534 22.034 1.00737.35 N ATOM 49313 C5 G 02346 167.777 14.894 22.875 1.00737.35 C ATOM 49314 C6 G 02346 167.646 14.503 24.233 1.00737.35 C ATOM 49315 O6 G 02346 166.678 14.650 24.990 1.00737.35 O ATOM 49316 N1 G 02346 168.798 13.878 24.699 1.00737.35 N ATOM 49317 C2 G 02346 169.930 13.656 23.955 1.00737.35 C ATOM 49318 N2 G 02346 170.941 13.038 24.589 1.00737.35 N ATOM 49319 N3 G 02346 170.066 14.014 22.690 1.00737.35 N ATOM 49320 C4 G 02346 168.958 14.623 22.216 1.00737.35 C ATOM 49321 P C 02347 168.216 11.857 16.675 1.00737.35 P ATOM 49322 O1P C 02347 168.455 11.329 15.305 1.00737.35 O ATOM 49323 O2P C 02347 166.821 12.042 17.152 1.00737.35 O ATOM 49324 O5* C 02347 168.979 10.917 17.710 1.00737.35 O ATOM 49325 C5* C 02347 170.343 10.556 17.500 1.00737.35 C ATOM 49326 C4* C 02347 170.794 9.555 18.540 1.00737.35 C ATOM 49327 O4* C 02347 170.769 10.170 19.855 1.00737.35 O ATOM 49328 C3* C 02347 169.926 8.316 18.695 1.00737.35 C ATOM 49329 O3* C 02347 170.246 7.335 17.716 1.00737.35 O ATOM 49330 C2* C 02347 170.282 7.851 20.104 1.00737.35 C ATOM 49331 O2* C 02347 171.493 7.122 20.160 1.00737.35 O ATOM 49332 C1* C 02347 170.450 9.188 20.832 1.00737.35 C ATOM 49333 N1 C 02347 169.237 9.616 21.562 1.00737.35 N ATOM 49334 C2 C 02347 169.032 9.144 22.872 1.00737.35 C ATOM 49335 O2 C 02347 169.874 8.385 23.381 1.00737.35 O ATOM 49336 N3 C 02347 167.923 9.528 23.544 1.00737.35 N ATOM 49337 C4 C 02347 167.040 10.343 22.966 1.00737.35 C ATOM 49338 N4 C 02347 165.960 10.693 23.669 1.00737.35 N ATOM 49339 C5 C 02347 167.223 10.839 21.642 1.00737.35 C ATOM 49340 C6 C 02347 168.324 10.454 20.983 1.00737.35 C ATOM 49341 P A 02348 169.133 6.270 17.260 1.00737.35 P ATOM 49342 O1P A 02348 169.735 5.427 16.194 1.00737.35 O ATOM 49343 O2P A 02348 167.865 6.995 16.989 1.00737.35 O ATOM 49344 O5* A 02348 168.919 5.361 18.553 1.00737.35 O ATOM 49345 C5* A 02348 169.948 4.479 19.003 1.00737.35 C ATOM 49346 C4* A 02348 169.526 3.780 20.276 1.00737.35 C ATOM 49347 O4* A 02348 169.393 4.750 21.346 1.00737.35 O ATOM 49348 C3* A 02348 168.173 3.085 20.240 1.00737.35 C ATOM 49349 O3* A 02348 168.277 1.795 19.645 1.00737.35 O ATOM 49350 C2* A 02348 167.811 3.009 21.720 1.00737.35 C ATOM 49351 O2* A 02348 168.436 1.933 22.391 1.00737.35 O ATOM 49352 C1* A 02348 168.369 4.336 22.241 1.00737.35 C ATOM 49353 N9 A 02348 167.367 5.400 22.331 1.00737.35 N ATOM 49354 C8 A 02348 167.099 6.402 21.428 1.00737.35 C ATOM 49355 N7 A 02348 166.131 7.205 21.801 1.00737.35 N ATOM 49356 C5 A 02348 165.733 6.700 23.032 1.00737.35 C ATOM 49357 C6 A 02348 164.745 7.106 23.947 1.00737.35 C ATOM 49358 N6 A 02348 163.947 8.158 23.759 1.00737.35 N ATOM 49359 N1 A 02348 164.603 6.383 25.079 1.00737.35 N ATOM 49360 C2 A 02348 165.405 5.327 25.270 1.00737.35 C ATOM 49361 N3 A 02348 166.369 4.848 24.487 1.00737.35 N ATOM 49362 C4 A 02348 166.485 5.589 23.370 1.00737.35 C ATOM 49363 P G 02349 167.008 1.161 18.889 1.00737.35 P ATOM 49364 O1P G 02349 167.480 -0.061 18.186 1.00737.35 O ATOM 49365 O2P G 02349 166.330 2.233 18.114 1.00737.35 O ATOM 49366 O5* G 02349 166.041 0.718 20.073 1.00737.35 O ATOM 49367 C5* G 02349 166.352 -0.409 20.889 1.00737.35 C ATOM 49368 C4* G 02349 165.325 -0.566 21.989 1.00737.35 C ATOM 49369 O4* G 02349 165.416 0.558 22.905 1.00737.35 O ATOM 49370 C3* G 02349 163.871 -0.561 21.545 1.00737.35 C ATOM 49371 O3* G 02349 163.455 -1.836 21.072 1.00737.35 O ATOM 49372 C2* G 02349 163.152 -0.163 22.828 1.00737.35 C ATOM 49373 O2* G 02349 162.987 -1.239 23.731 1.00737.35 O ATOM 49374 C1* G 02349 164.125 0.862 23.411 1.00737.35 C ATOM 49375 N9 G 02349 163.789 2.237 23.043 1.00737.35 N ATOM 49376 C8 G 02349 164.357 2.998 22.046 1.00737.35 C ATOM 49377 N7 G 02349 163.831 4.189 21.948 1.00737.35 N ATOM 49378 C5 G 02349 162.860 4.221 22.941 1.00737.35 C ATOM 49379 C6 G 02349 161.959 5.253 23.316 1.00737.35 C ATOM 49380 O6 G 02349 161.834 6.384 22.826 1.00737.35 O ATOM 49381 N1 G 02349 161.147 4.863 24.374 1.00737.35 N ATOM 49382 C2 G 02349 161.191 3.639 24.994 1.00737.35 C ATOM 49383 N2 G 02349 160.324 3.453 25.999 1.00737.35 N ATOM 49384 N3 G 02349 162.023 2.668 24.656 1.00737.35 N ATOM 49385 C4 G 02349 162.823 3.025 23.628 1.00737.35 C ATOM 49386 P G 02350 162.372 -1.930 19.887 1.00737.35 P ATOM 49387 O1P G 02350 161.943 -3.344 19.759 1.00737.35 O ATOM 49388 O2P G 02350 162.938 -1.225 18.709 1.00737.35 O ATOM 49389 O5* G 02350 161.140 -1.081 20.437 1.00737.35 O ATOM 49390 C5* G 02350 160.063 -0.701 19.582 1.00737.35 C ATOM 49391 C4* G 02350 159.042 0.094 20.361 1.00737.35 C ATOM 49392 O4* G 02350 159.692 1.248 20.958 1.00737.35 O ATOM 49393 C3* G 02350 157.902 0.687 19.548 1.00737.35 C ATOM 49394 O3* G 02350 156.863 -0.266 19.347 1.00737.35 O ATOM 49395 C2* G 02350 157.452 1.845 20.431 1.00737.35 C ATOM 49396 O2* G 02350 156.618 1.440 21.499 1.00737.35 O ATOM 49397 C1* G 02350 158.791 2.344 20.979 1.00737.35 C ATOM 49398 N9 G 02350 159.365 3.433 20.194 1.00737.35 N ATOM 49399 C8 G 02350 160.191 3.329 19.099 1.00737.35 C ATOM 49400 N7 G 02350 160.537 4.486 18.605 1.00737.35 N ATOM 49401 C5 G 02350 159.903 5.414 19.423 1.00737.35 C ATOM 49402 C6 G 02350 159.905 6.833 19.375 1.00737.35 C ATOM 49403 O6 G 02350 160.486 7.578 18.577 1.00737.35 O ATOM 49404 N1 G 02350 159.129 7.377 20.394 1.00737.35 N ATOM 49405 C2 G 02350 158.440 6.654 21.336 1.00737.35 C ATOM 49406 N2 G 02350 157.748 7.364 22.238 1.00737.35 N ATOM 49407 N3 G 02350 158.431 5.333 21.389 1.00737.35 N ATOM 49408 C4 G 02350 159.180 4.781 20.409 1.00737.35 C ATOM 49409 P G 02351 155.752 -0.007 18.215 1.00737.35 P ATOM 49410 O1P G 02351 154.861 -1.194 18.161 1.00737.35 O ATOM 49411 O2P G 02351 156.454 0.439 16.982 1.00737.35 O ATOM 49412 O5* G 02351 154.911 1.221 18.785 1.00737.35 O ATOM 49413 C5* G 02351 154.088 2.012 17.932 1.00737.35 C ATOM 49414 C4* G 02351 153.336 3.041 18.741 1.00737.35 C ATOM 49415 O4* G 02351 154.279 3.837 19.506 1.00737.35 O ATOM 49416 C3* G 02351 152.552 4.060 17.932 1.00737.35 C ATOM 49417 O3* G 02351 151.273 3.550 17.570 1.00737.35 O ATOM 49418 C2* G 02351 152.446 5.230 18.904 1.00737.35 C ATOM 49419 O2* G 02351 151.416 5.072 19.860 1.00737.35 O ATOM 49420 C1* G 02351 153.810 5.173 19.598 1.00737.35 C ATOM 49421 N9 G 02351 154.808 6.061 19.003 1.00737.35 N ATOM 49422 C8 G 02351 155.884 5.702 18.224 1.00737.35 C ATOM 49423 N7 G 02351 156.602 6.722 17.841 1.00737.35 N ATOM 49424 C5 G 02351 155.962 7.823 18.396 1.00737.35 C ATOM 49425 C6 G 02351 156.278 9.204 18.324 1.00737.35 C ATOM 49426 O6 G 02351 157.221 9.753 17.736 1.00737.35 O ATOM 49427 N1 G 02351 155.363 9.976 19.033 1.00737.35 N ATOM 49428 C2 G 02351 154.280 9.485 19.723 1.00737.35 C ATOM 49429 N2 G 02351 153.513 10.391 20.343 1.00737.35 N ATOM 49430 N3 G 02351 153.978 8.200 19.798 1.00737.35 N ATOM 49431 C4 G 02351 154.852 7.431 19.117 1.00737.35 C ATOM 49432 P A 02352 150.508 4.148 16.288 1.00737.35 P ATOM 49433 O1P A 02352 149.248 3.385 16.100 1.00737.35 O ATOM 49434 O2P A 02352 151.487 4.231 15.175 1.00737.35 O ATOM 49435 O5* A 02352 150.136 5.634 16.730 1.00737.35 O ATOM 49436 C5* A 02352 149.158 5.878 17.738 1.00737.35 C ATOM 49437 C4* A 02352 148.931 7.362 17.903 1.00737.35 C ATOM 49438 O4* A 02352 150.122 7.982 18.456 1.00737.35 O ATOM 49439 C3* A 02352 148.668 8.129 16.618 1.00737.35 C ATOM 49440 O3* A 02352 147.300 8.043 16.242 1.00737.35 O ATOM 49441 C2* A 02352 149.084 9.546 16.992 1.00737.35 C ATOM 49442 O2* A 02352 148.090 10.245 17.712 1.00737.35 O ATOM 49443 C1* A 02352 150.288 9.278 17.901 1.00737.35 C ATOM 49444 N9 A 02352 151.575 9.316 17.200 1.00737.35 N ATOM 49445 C8 A 02352 152.236 8.276 16.591 1.00737.35 C ATOM 49446 N7 A 02352 153.378 8.621 16.047 1.00737.35 N ATOM 49447 C5 A 02352 153.478 9.979 16.315 1.00737.35 C ATOM 49448 C6 A 02352 154.461 10.934 16.004 1.00737.35 C ATOM 49449 N6 A 02352 155.580 10.651 15.331 1.00737.35 N ATOM 49450 N1 A 02352 154.254 12.203 16.414 1.00737.35 N ATOM 49451 C2 A 02352 153.134 12.485 17.090 1.00737.35 C ATOM 49452 N3 A 02352 152.139 11.676 17.443 1.00737.35 N ATOM 49453 C4 A 02352 152.371 10.422 17.021 1.00737.35 C ATOM 49454 P G 02353 146.897 8.056 14.685 1.00737.35 P ATOM 49455 O1P G 02353 145.467 7.677 14.573 1.00737.35 O ATOM 49456 O2P G 02353 147.921 7.273 13.945 1.00737.35 O ATOM 49457 O5* G 02353 147.054 9.586 14.266 1.00737.35 O ATOM 49458 C5* G 02353 146.101 10.564 14.683 1.00737.35 C ATOM 49459 C4* G 02353 146.462 11.921 14.125 1.00737.35 C ATOM 49460 O4* G 02353 147.692 12.385 14.742 1.00737.35 O ATOM 49461 C3* G 02353 146.745 11.961 12.632 1.00737.35 C ATOM 49462 O3* G 02353 145.539 12.083 11.886 1.00737.35 O ATOM 49463 C2* G 02353 147.629 13.198 12.504 1.00737.35 C ATOM 49464 O2* G 02353 146.895 14.405 12.478 1.00737.35 O ATOM 49465 C1* G 02353 148.451 13.118 13.795 1.00737.35 C ATOM 49466 N9 G 02353 149.741 12.452 13.628 1.00737.35 N ATOM 49467 C8 G 02353 149.991 11.101 13.657 1.00737.35 C ATOM 49468 N7 G 02353 151.247 10.806 13.477 1.00737.35 N ATOM 49469 C5 G 02353 151.871 12.037 13.321 1.00737.35 C ATOM 49470 C6 G 02353 153.236 12.353 13.093 1.00737.35 C ATOM 49471 O6 G 02353 154.196 11.584 12.984 1.00737.35 O ATOM 49472 N1 G 02353 153.434 13.726 12.997 1.00737.35 N ATOM 49473 C2 G 02353 152.447 14.675 13.103 1.00737.35 C ATOM 49474 N2 G 02353 152.841 15.952 12.980 1.00737.35 N ATOM 49475 N3 G 02353 151.172 14.395 13.313 1.00737.35 N ATOM 49476 C4 G 02353 150.956 13.064 13.412 1.00737.35 C ATOM 49477 P G 02354 145.338 11.216 10.547 1.00737.35 P ATOM 49478 O1P G 02354 143.979 11.515 10.028 1.00737.35 O ATOM 49479 O2P G 02354 145.719 9.809 10.833 1.00737.35 O ATOM 49480 O5* G 02354 146.406 11.823 9.532 1.00737.35 O ATOM 49481 C5* G 02354 146.223 13.115 8.954 1.00737.35 C ATOM 49482 C4* G 02354 147.473 13.547 8.227 1.00737.35 C ATOM 49483 O4* G 02354 148.562 13.670 9.178 1.00737.35 O ATOM 49484 C3* G 02354 147.999 12.578 7.179 1.00737.35 C ATOM 49485 O3* G 02354 147.340 12.750 5.929 1.00737.35 O ATOM 49486 C2* G 02354 149.473 12.961 7.099 1.00737.35 C ATOM 49487 O2* G 02354 149.706 14.110 6.306 1.00737.35 O ATOM 49488 C1* G 02354 149.780 13.271 8.566 1.00737.35 C ATOM 49489 N9 G 02354 150.308 12.118 9.292 1.00737.35 N ATOM 49490 C8 G 02354 149.588 11.119 9.905 1.00737.35 C ATOM 49491 N7 G 02354 150.344 10.211 10.463 1.00737.35 N ATOM 49492 C5 G 02354 151.639 10.639 10.208 1.00737.35 C ATOM 49493 C6 G 02354 152.885 10.060 10.565 1.00737.35 C ATOM 49494 O6 G 02354 153.099 9.021 11.200 1.00737.35 O ATOM 49495 N1 G 02354 153.954 10.824 10.106 1.00737.35 N ATOM 49496 C2 G 02354 153.840 11.992 9.393 1.00737.35 C ATOM 49497 N2 G 02354 154.991 12.585 9.040 1.00737.35 N ATOM 49498 N3 G 02354 152.686 12.540 9.053 1.00737.35 N ATOM 49499 C4 G 02354 151.635 11.815 9.489 1.00737.35 C ATOM 49500 P A 02355 147.125 11.482 4.962 1.00737.35 P ATOM 49501 O1P A 02355 146.505 11.984 3.708 1.00737.35 O ATOM 49502 O2P A 02355 146.450 10.410 5.736 1.00737.35 O ATOM 49503 O5* A 02355 148.606 11.004 4.618 1.00737.35 O ATOM 49504 C5* A 02355 148.848 9.720 4.048 1.00737.35 C ATOM 49505 C4* A 02355 150.119 9.738 3.228 1.00737.35 C ATOM 49506 O4* A 02355 149.959 10.671 2.127 1.00737.35 O ATOM 49507 C3* A 02355 151.372 10.215 3.949 1.00737.35 C ATOM 49508 O3* A 02355 151.993 9.142 4.654 1.00737.35 O ATOM 49509 C2* A 02355 152.241 10.708 2.798 1.00737.35 C ATOM 49510 O2* A 02355 152.925 9.666 2.132 1.00737.35 O ATOM 49511 C1* A 02355 151.194 11.319 1.864 1.00737.35 C ATOM 49512 N9 A 02355 151.008 12.760 2.050 1.00737.35 N ATOM 49513 C8 A 02355 150.230 13.401 2.985 1.00737.35 C ATOM 49514 N7 A 02355 150.270 14.708 2.898 1.00737.35 N ATOM 49515 C5 A 02355 151.135 14.946 1.838 1.00737.35 C ATOM 49516 C6 A 02355 151.597 16.133 1.244 1.00737.35 C ATOM 49517 N6 A 02355 151.237 17.352 1.648 1.00737.35 N ATOM 49518 N1 A 02355 152.452 16.023 0.205 1.00737.35 N ATOM 49519 C2 A 02355 152.813 14.800 -0.201 1.00737.35 C ATOM 49520 N3 A 02355 152.449 13.612 0.276 1.00737.35 N ATOM 49521 C4 A 02355 151.597 13.755 1.307 1.00737.35 C ATOM 49522 P A 02356 152.744 9.431 6.046 1.00737.35 P ATOM 49523 O1P A 02356 153.318 8.142 6.513 1.00737.35 O ATOM 49524 O2P A 02356 151.817 10.182 6.930 1.00737.35 O ATOM 49525 O5* A 02356 153.949 10.395 5.650 1.00737.35 O ATOM 49526 C5* A 02356 154.956 9.977 4.730 1.00737.35 C ATOM 49527 C4* A 02356 155.802 11.155 4.304 1.00737.35 C ATOM 49528 O4* A 02356 154.949 12.152 3.682 1.00737.35 O ATOM 49529 C3* A 02356 156.513 11.905 5.421 1.00737.35 C ATOM 49530 O3* A 02356 157.756 11.284 5.738 1.00737.35 O ATOM 49531 C2* A 02356 156.709 13.286 4.806 1.00737.35 C ATOM 49532 O2* A 02356 157.816 13.355 3.930 1.00737.35 O ATOM 49533 C1* A 02356 155.411 13.451 4.010 1.00737.35 C ATOM 49534 N9 A 02356 154.358 14.145 4.754 1.00737.35 N ATOM 49535 C8 A 02356 153.403 13.598 5.581 1.00737.35 C ATOM 49536 N7 A 02356 152.593 14.482 6.110 1.00737.35 N ATOM 49537 C5 A 02356 153.041 15.693 5.599 1.00737.35 C ATOM 49538 C6 A 02356 152.599 17.015 5.781 1.00737.35 C ATOM 49539 N6 A 02356 151.565 17.352 6.556 1.00737.35 N ATOM 49540 N1 A 02356 153.262 17.994 5.125 1.00737.35 N ATOM 49541 C2 A 02356 154.298 17.655 4.348 1.00737.35 C ATOM 49542 N3 A 02356 154.808 16.450 4.099 1.00737.35 N ATOM 49543 C4 A 02356 154.125 15.501 4.763 1.00737.35 C ATOM 49544 P A 02357 158.434 11.539 7.174 1.00737.35 P ATOM 49545 O1P A 02357 159.646 10.680 7.244 1.00737.35 O ATOM 49546 O2P A 02357 157.389 11.413 8.223 1.00737.35 O ATOM 49547 O5* A 02357 158.907 13.060 7.118 1.00737.35 O ATOM 49548 C5* A 02357 159.930 13.480 6.216 1.00737.35 C ATOM 49549 C4* A 02357 160.001 14.990 6.161 1.00737.35 C ATOM 49550 O4* A 02357 158.728 15.511 5.696 1.00737.35 O ATOM 49551 C3* A 02357 160.234 15.696 7.488 1.00737.35 C ATOM 49552 O3* A 02357 161.623 15.760 7.801 1.00737.35 O ATOM 49553 C2* A 02357 159.665 17.083 7.212 1.00737.35 C ATOM 49554 O2* A 02357 160.556 17.921 6.500 1.00737.35 O ATOM 49555 C1* A 02357 158.456 16.747 6.335 1.00737.35 C ATOM 49556 N9 A 02357 157.214 16.616 7.098 1.00737.35 N ATOM 49557 C8 A 02357 156.655 15.476 7.624 1.00737.35 C ATOM 49558 N7 A 02357 155.533 15.684 8.267 1.00737.35 N ATOM 49559 C5 A 02357 155.336 17.054 8.158 1.00737.35 C ATOM 49560 C6 A 02357 154.320 17.904 8.633 1.00737.35 C ATOM 49561 N6 A 02357 153.270 17.481 9.341 1.00737.35 N ATOM 49562 N1 A 02357 154.422 19.221 8.352 1.00737.35 N ATOM 49563 C2 A 02357 155.475 19.645 7.644 1.00737.35 C ATOM 49564 N3 A 02357 156.492 18.946 7.143 1.00737.35 N ATOM 49565 C4 A 02357 156.360 17.640 7.439 1.00737.35 C ATOM 49566 P C 02358 162.118 15.468 9.303 1.00737.35 P ATOM 49567 O1P C 02358 163.536 15.900 9.415 1.00737.35 O ATOM 49568 O2P C 02358 161.754 14.068 9.629 1.00737.35 O ATOM 49569 O5* C 02358 161.231 16.434 10.211 1.00737.35 O ATOM 49570 C5* C 02358 161.240 17.847 10.014 1.00737.35 C ATOM 49571 C4* C 02358 160.007 18.470 10.636 1.00737.35 C ATOM 49572 O4* C 02358 158.825 17.884 10.026 1.00737.35 O ATOM 49573 C3* C 02358 159.826 18.230 12.127 1.00737.35 C ATOM 49574 O3* C 02358 160.545 19.198 12.888 1.00737.35 O ATOM 49575 C2* C 02358 158.317 18.372 12.294 1.00737.35 C ATOM 49576 O2* C 02358 157.889 19.718 12.350 1.00737.35 O ATOM 49577 C1* C 02358 157.810 17.721 11.005 1.00737.35 C ATOM 49578 N1 C 02358 157.516 16.281 11.149 1.00737.35 N ATOM 49579 C2 C 02358 156.250 15.884 11.613 1.00737.35 C ATOM 49580 O2 C 02358 155.404 16.752 11.891 1.00737.35 O ATOM 49581 N3 C 02358 155.981 14.565 11.751 1.00737.35 N ATOM 49582 C4 C 02358 156.912 13.657 11.443 1.00737.35 C ATOM 49583 N4 C 02358 156.602 12.368 11.595 1.00737.35 N ATOM 49584 C5 C 02358 158.202 14.032 10.970 1.00737.35 C ATOM 49585 C6 C 02358 158.460 15.339 10.840 1.00737.35 C ATOM 49586 P U 02359 160.943 18.879 14.415 1.00737.35 P ATOM 49587 O1P U 02359 161.795 19.992 14.910 1.00737.35 O ATOM 49588 O2P U 02359 161.455 17.485 14.472 1.00737.35 O ATOM 49589 O5* U 02359 159.553 18.927 15.195 1.00737.35 O ATOM 49590 C5* U 02359 158.782 20.126 15.245 1.00737.35 C ATOM 49591 C4* U 02359 157.405 19.845 15.801 1.00737.35 C ATOM 49592 O4* U 02359 156.723 18.896 14.936 1.00737.35 O ATOM 49593 C3* U 02359 157.363 19.196 17.176 1.00737.35 C ATOM 49594 O3* U 02359 157.461 20.177 18.203 1.00737.35 O ATOM 49595 C2* U 02359 156.003 18.512 17.168 1.00737.35 C ATOM 49596 O2* U 02359 154.932 19.395 17.446 1.00737.35 O ATOM 49597 C1* U 02359 155.911 18.033 15.716 1.00737.35 C ATOM 49598 N1 U 02359 156.375 16.647 15.527 1.00737.35 N ATOM 49599 C2 U 02359 155.452 15.624 15.705 1.00737.35 C ATOM 49600 O2 U 02359 154.285 15.822 16.005 1.00737.35 O ATOM 49601 N3 U 02359 155.950 14.357 15.517 1.00737.35 N ATOM 49602 C4 U 02359 157.242 14.013 15.176 1.00737.35 C ATOM 49603 O4 U 02359 157.536 12.823 15.043 1.00737.35 O ATOM 49604 C5 U 02359 158.133 15.119 15.011 1.00737.35 C ATOM 49605 C6 U 02359 157.682 16.365 15.187 1.00737.35 C ATOM 49606 P C 02360 157.999 19.757 19.659 1.00737.35 P ATOM 49607 O1P C 02360 158.047 20.976 20.505 1.00737.35 O ATOM 49608 O2P C 02360 159.235 18.952 19.469 1.00737.35 O ATOM 49609 O5* C 02360 156.865 18.794 20.224 1.00737.35 O ATOM 49610 C5* C 02360 155.568 19.298 20.546 1.00737.35 C ATOM 49611 C4* C 02360 154.700 18.196 21.110 1.00737.35 C ATOM 49612 O4* C 02360 154.452 17.201 20.085 1.00737.35 O ATOM 49613 C3* C 02360 155.299 17.412 22.263 1.00737.35 C ATOM 49614 O3* C 02360 155.083 18.094 23.496 1.00737.35 O ATOM 49615 C2* C 02360 154.530 16.097 22.196 1.00737.35 C ATOM 49616 O2* C 02360 153.260 16.161 22.814 1.00737.35 O ATOM 49617 C1* C 02360 154.361 15.917 20.684 1.00737.35 C ATOM 49618 N1 C 02360 155.371 15.032 20.067 1.00737.35 N ATOM 49619 C2 C 02360 155.092 13.660 19.945 1.00737.35 C ATOM 49620 O2 C 02360 154.004 13.226 20.361 1.00737.35 O ATOM 49621 N3 C 02360 156.013 12.847 19.381 1.00737.35 N ATOM 49622 C4 C 02360 157.171 13.348 18.948 1.00737.35 C ATOM 49623 N4 C 02360 158.049 12.506 18.397 1.00737.35 N ATOM 49624 C5 C 02360 157.483 14.734 19.060 1.00737.35 C ATOM 49625 C6 C 02360 156.566 15.532 19.619 1.00737.35 C ATOM 49626 P G 02361 156.340 18.549 24.389 1.00737.35 P ATOM 49627 O1P G 02361 155.836 19.411 25.489 1.00737.35 O ATOM 49628 O2P G 02361 157.384 19.074 23.469 1.00737.35 O ATOM 49629 O5* G 02361 156.883 17.192 25.022 1.00737.35 O ATOM 49630 C5* G 02361 156.128 16.485 26.003 1.00737.35 C ATOM 49631 C4* G 02361 157.042 15.940 27.077 1.00737.35 C ATOM 49632 O4* G 02361 157.962 14.987 26.482 1.00737.35 O ATOM 49633 C3* G 02361 157.940 16.963 27.754 1.00737.35 C ATOM 49634 O3* G 02361 157.253 17.610 28.821 1.00737.35 O ATOM 49635 C2* G 02361 159.089 16.098 28.260 1.00737.35 C ATOM 49636 O2* G 02361 158.793 15.435 29.476 1.00737.35 O ATOM 49637 C1* G 02361 159.221 15.072 27.132 1.00737.35 C ATOM 49638 N9 G 02361 160.231 15.413 26.132 1.00737.35 N ATOM 49639 C8 G 02361 160.231 16.493 25.281 1.00737.35 C ATOM 49640 N7 G 02361 161.274 16.528 24.496 1.00737.35 N ATOM 49641 C5 G 02361 162.008 15.405 24.848 1.00737.35 C ATOM 49642 C6 G 02361 163.239 14.913 24.343 1.00737.35 C ATOM 49643 O6 G 02361 163.950 15.390 23.449 1.00737.35 O ATOM 49644 N1 G 02361 163.625 13.741 24.985 1.00737.35 N ATOM 49645 C2 G 02361 162.922 13.120 25.985 1.00737.35 C ATOM 49646 N2 G 02361 163.458 11.995 26.477 1.00737.35 N ATOM 49647 N3 G 02361 161.774 13.567 26.468 1.00737.35 N ATOM 49648 C4 G 02361 161.377 14.705 25.860 1.00737.35 C ATOM 49649 P G 02362 157.368 19.207 29.003 1.00737.35 P ATOM 49650 O1P G 02362 158.042 19.771 27.803 1.00737.35 O ATOM 49651 O2P G 02362 157.930 19.476 30.351 1.00737.35 O ATOM 49652 O5* G 02362 155.854 19.702 28.986 1.00737.35 O ATOM 49653 C5* G 02362 154.865 19.060 29.788 1.00737.35 C ATOM 49654 C4* G 02362 153.548 19.007 29.051 1.00737.35 C ATOM 49655 O4* G 02362 152.623 18.164 29.786 1.00737.35 O ATOM 49656 C3* G 02362 152.815 20.331 28.896 1.00737.35 C ATOM 49657 O3* G 02362 153.292 21.061 27.768 1.00737.35 O ATOM 49658 C2* G 02362 151.370 19.880 28.718 1.00737.35 C ATOM 49659 O2* G 02362 151.074 19.472 27.398 1.00737.35 O ATOM 49660 C1* G 02362 151.305 18.676 29.661 1.00737.35 C ATOM 49661 N9 G 02362 150.801 19.000 30.994 1.00737.35 N ATOM 49662 C8 G 02362 151.530 19.118 32.155 1.00737.35 C ATOM 49663 N7 G 02362 150.797 19.412 33.193 1.00737.35 N ATOM 49664 C5 G 02362 149.505 19.497 32.690 1.00737.35 C ATOM 49665 C6 G 02362 148.282 19.790 33.346 1.00737.35 C ATOM 49666 O6 G 02362 148.086 20.036 34.544 1.00737.35 O ATOM 49667 N1 G 02362 147.211 19.777 32.458 1.00737.35 N ATOM 49668 C2 G 02362 147.303 19.515 31.113 1.00737.35 C ATOM 49669 N2 G 02362 146.153 19.553 30.420 1.00737.35 N ATOM 49670 N3 G 02362 148.437 19.242 30.488 1.00737.35 N ATOM 49671 C4 G 02362 149.491 19.249 31.333 1.00737.35 C ATOM 49672 P G 02363 152.837 22.591 27.556 1.00737.35 P ATOM 49673 O1P G 02363 153.483 23.076 26.311 1.00737.35 O ATOM 49674 O2P G 02363 153.052 23.327 28.829 1.00737.35 O ATOM 49675 O5* G 02363 151.268 22.485 27.291 1.00737.35 O ATOM 49676 C5* G 02363 150.425 23.630 27.369 1.00737.35 C ATOM 49677 C4* G 02363 148.989 23.200 27.575 1.00737.35 C ATOM 49678 O4* G 02363 148.904 22.376 28.766 1.00737.35 O ATOM 49679 C3* G 02363 147.995 24.324 27.817 1.00737.35 C ATOM 49680 O3* G 02363 147.516 24.843 26.578 1.00737.35 O ATOM 49681 C2* G 02363 146.878 23.614 28.579 1.00737.35 C ATOM 49682 O2* G 02363 145.980 22.923 27.732 1.00737.35 O ATOM 49683 C1* G 02363 147.667 22.606 29.419 1.00737.35 C ATOM 49684 N9 G 02363 147.931 23.030 30.794 1.00737.35 N ATOM 49685 C8 G 02363 149.152 23.071 31.431 1.00737.35 C ATOM 49686 N7 G 02363 149.070 23.476 32.667 1.00737.35 N ATOM 49687 C5 G 02363 147.718 23.721 32.863 1.00737.35 C ATOM 49688 C6 G 02363 147.022 24.179 34.014 1.00737.35 C ATOM 49689 O6 G 02363 147.480 24.461 35.130 1.00737.35 O ATOM 49690 N1 G 02363 145.658 24.295 33.772 1.00737.35 N ATOM 49691 C2 G 02363 145.037 24.005 32.584 1.00737.35 C ATOM 49692 N2 G 02363 143.706 24.185 32.551 1.00737.35 N ATOM 49693 N3 G 02363 145.671 23.571 31.507 1.00737.35 N ATOM 49694 C4 G 02363 147.000 23.456 31.716 1.00737.35 C ATOM 49695 P C 02364 146.968 26.353 26.499 1.00737.35 P ATOM 49696 O1P C 02364 146.306 26.695 27.785 1.00737.35 O ATOM 49697 O2P C 02364 146.206 26.469 25.230 1.00737.35 O ATOM 49698 O5* C 02364 148.288 27.240 26.369 1.00737.35 O ATOM 49699 C5* C 02364 148.218 28.589 25.913 1.00737.35 C ATOM 49700 C4* C 02364 149.607 29.150 25.722 1.00737.35 C ATOM 49701 O4* C 02364 149.512 30.475 25.136 1.00737.35 O ATOM 49702 C3* C 02364 150.410 29.354 27.000 1.00737.35 C ATOM 49703 O3* C 02364 151.075 28.157 27.388 1.00737.35 O ATOM 49704 C2* C 02364 151.390 30.449 26.591 1.00737.35 C ATOM 49705 O2* C 02364 152.496 29.960 25.857 1.00737.35 O ATOM 49706 C1* C 02364 150.511 31.318 25.689 1.00737.35 C ATOM 49707 N1 C 02364 149.848 32.427 26.406 1.00737.35 N ATOM 49708 C2 C 02364 150.553 33.627 26.603 1.00737.35 C ATOM 49709 O2 C 02364 151.717 33.728 26.174 1.00737.35 O ATOM 49710 N3 C 02364 149.950 34.646 27.258 1.00737.35 N ATOM 49711 C4 C 02364 148.699 34.504 27.707 1.00737.35 C ATOM 49712 N4 C 02364 148.147 35.538 28.345 1.00737.35 N ATOM 49713 C5 C 02364 147.963 33.301 27.521 1.00737.35 C ATOM 49714 C6 C 02364 148.568 32.298 26.873 1.00737.35 C ATOM 49715 P U 02365 151.475 27.930 28.927 1.00737.35 P ATOM 49716 O1P U 02365 152.104 26.589 29.052 1.00737.35 O ATOM 49717 O2P U 02365 150.287 28.261 29.757 1.00737.35 O ATOM 49718 O5* U 02365 152.588 29.037 29.200 1.00737.35 O ATOM 49719 C5* U 02365 153.861 28.968 28.561 1.00737.35 C ATOM 49720 C4* U 02365 154.707 30.164 28.937 1.00737.35 C ATOM 49721 O4* U 02365 154.096 31.375 28.420 1.00737.35 O ATOM 49722 C3* U 02365 154.857 30.426 30.427 1.00737.35 C ATOM 49723 O3* U 02365 155.891 29.627 30.989 1.00737.35 O ATOM 49724 C2* U 02365 155.200 31.910 30.458 1.00737.35 C ATOM 49725 O2* U 02365 156.563 32.175 30.188 1.00737.35 O ATOM 49726 C1* U 02365 154.330 32.449 29.318 1.00737.35 C ATOM 49727 N1 U 02365 153.034 32.984 29.768 1.00737.35 N ATOM 49728 C2 U 02365 152.983 34.311 30.171 1.00737.35 C ATOM 49729 O2 U 02365 153.960 35.047 30.168 1.00737.35 O ATOM 49730 N3 U 02365 151.747 34.747 30.580 1.00737.35 N ATOM 49731 C4 U 02365 150.579 34.009 30.627 1.00737.35 C ATOM 49732 O4 U 02365 149.543 34.542 31.028 1.00737.35 O ATOM 49733 C5 U 02365 150.712 32.653 30.198 1.00737.35 C ATOM 49734 C6 U 02365 151.902 32.196 29.794 1.00737.35 C ATOM 49735 P U 02366 155.792 29.163 32.526 1.00737.35 P ATOM 49736 O1P U 02366 157.018 28.392 32.860 1.00737.35 O ATOM 49737 O2P U 02366 154.459 28.539 32.722 1.00737.35 O ATOM 49738 O5* U 02366 155.820 30.534 33.338 1.00737.35 O ATOM 49739 C5* U 02366 157.001 31.332 33.390 1.00737.35 C ATOM 49740 C4* U 02366 156.775 32.553 34.249 1.00737.35 C ATOM 49741 O4* U 02366 155.803 33.424 33.617 1.00737.35 O ATOM 49742 C3* U 02366 156.193 32.290 35.629 1.00737.35 C ATOM 49743 O3* U 02366 157.216 31.931 36.550 1.00737.35 O ATOM 49744 C2* U 02366 155.568 33.637 35.980 1.00737.35 C ATOM 49745 O2* U 02366 156.509 34.562 36.486 1.00737.35 O ATOM 49746 C1* U 02366 155.059 34.108 34.614 1.00737.35 C ATOM 49747 N1 U 02366 153.623 33.868 34.389 1.00737.35 N ATOM 49748 C2 U 02366 152.737 34.879 34.732 1.00737.35 C ATOM 49749 O2 U 02366 153.093 35.945 35.210 1.00737.35 O ATOM 49750 N3 U 02366 151.415 34.596 34.499 1.00737.35 N ATOM 49751 C4 U 02366 150.892 33.435 33.969 1.00737.35 C ATOM 49752 O4 U 02366 149.674 33.342 33.799 1.00737.35 O ATOM 49753 C5 U 02366 151.866 32.438 33.642 1.00737.35 C ATOM 49754 C6 U 02366 153.164 32.681 33.856 1.00737.35 C ATOM 49755 P A 02367 156.975 30.713 37.574 1.00737.35 P ATOM 49756 O1P A 02367 158.149 30.632 38.478 1.00737.35 O ATOM 49757 O2P A 02367 156.587 29.527 36.768 1.00737.35 O ATOM 49758 O5* A 02367 155.716 31.177 38.430 1.00737.35 O ATOM 49759 C5* A 02367 154.884 30.223 39.083 1.00737.35 C ATOM 49760 C4* A 02367 154.316 30.804 40.357 1.00737.35 C ATOM 49761 O4* A 02367 153.569 32.011 40.050 1.00737.35 O ATOM 49762 C3* A 02367 153.312 29.915 41.069 1.00737.35 C ATOM 49763 O3* A 02367 153.981 28.972 41.899 1.00737.35 O ATOM 49764 C2* A 02367 152.506 30.923 41.881 1.00737.35 C ATOM 49765 O2* A 02367 153.147 31.310 43.080 1.00737.35 O ATOM 49766 C1* A 02367 152.450 32.112 40.916 1.00737.35 C ATOM 49767 N9 A 02367 151.233 32.144 40.102 1.00737.35 N ATOM 49768 C8 A 02367 151.018 31.565 38.874 1.00737.35 C ATOM 49769 N7 A 02367 149.816 31.773 38.395 1.00737.35 N ATOM 49770 C5 A 02367 149.196 32.539 39.372 1.00737.35 C ATOM 49771 C6 A 02367 147.904 33.089 39.464 1.00737.35 C ATOM 49772 N6 A 02367 146.968 32.945 38.524 1.00737.35 N ATOM 49773 N1 A 02367 147.603 33.802 40.571 1.00737.35 N ATOM 49774 C2 A 02367 148.542 33.946 41.514 1.00737.35 C ATOM 49775 N3 A 02367 149.790 33.480 41.541 1.00737.35 N ATOM 49776 C4 A 02367 150.057 32.775 40.428 1.00737.35 C ATOM 49777 P G 02368 153.802 27.399 41.624 1.00737.35 P ATOM 49778 O1P G 02368 154.632 26.684 42.627 1.00737.35 O ATOM 49779 O2P G 02368 154.023 27.147 40.177 1.00737.35 O ATOM 49780 O5* G 02368 152.267 27.122 41.947 1.00737.35 O ATOM 49781 C5* G 02368 151.776 27.156 43.287 1.00737.35 C ATOM 49782 C4* G 02368 150.280 26.951 43.304 1.00737.35 C ATOM 49783 O4* G 02368 149.635 28.065 42.635 1.00737.35 O ATOM 49784 C3* G 02368 149.768 25.720 42.571 1.00737.35 C ATOM 49785 O3* G 02368 149.816 24.576 43.421 1.00737.35 O ATOM 49786 C2* G 02368 148.329 26.107 42.243 1.00737.35 C ATOM 49787 O2* G 02368 147.434 25.878 43.313 1.00737.35 O ATOM 49788 C1* G 02368 148.457 27.612 41.993 1.00737.35 C ATOM 49789 N9 G 02368 148.518 27.997 40.585 1.00737.35 N ATOM 49790 C8 G 02368 149.486 27.662 39.669 1.00737.35 C ATOM 49791 N7 G 02368 149.263 28.161 38.481 1.00737.35 N ATOM 49792 C5 G 02368 148.075 28.866 38.622 1.00737.35 C ATOM 49793 C6 G 02368 147.332 29.620 37.674 1.00737.35 C ATOM 49794 O6 G 02368 147.584 29.822 36.480 1.00737.35 O ATOM 49795 N1 G 02368 146.189 30.171 38.244 1.00737.35 N ATOM 49796 C2 G 02368 145.807 30.020 39.554 1.00737.35 C ATOM 49797 N2 G 02368 144.669 30.632 39.914 1.00737.35 N ATOM 49798 N3 G 02368 146.487 29.320 40.444 1.00737.35 N ATOM 49799 C4 G 02368 147.602 28.775 39.915 1.00737.35 C ATOM 49800 P U 02369 150.180 23.130 42.809 1.00737.35 P ATOM 49801 O1P U 02369 150.215 23.238 41.326 1.00737.35 O ATOM 49802 O2P U 02369 149.280 22.136 43.446 1.00737.35 O ATOM 49803 O5* U 02369 151.662 22.851 43.334 1.00737.35 O ATOM 49804 C5* U 02369 152.801 23.236 42.566 1.00737.35 C ATOM 49805 C4* U 02369 153.904 23.733 43.474 1.00737.35 C ATOM 49806 O4* U 02369 153.433 24.903 44.193 1.00737.35 O ATOM 49807 C3* U 02369 154.359 22.782 44.570 1.00737.35 C ATOM 49808 O3* U 02369 155.322 21.855 44.076 1.00737.35 O ATOM 49809 C2* U 02369 154.967 23.740 45.590 1.00737.35 C ATOM 49810 O2* U 02369 156.281 24.142 45.258 1.00737.35 O ATOM 49811 C1* U 02369 154.020 24.937 45.484 1.00737.35 C ATOM 49812 N1 U 02369 152.945 24.933 46.492 1.00737.35 N ATOM 49813 C2 U 02369 153.179 25.591 47.692 1.00737.35 C ATOM 49814 O2 U 02369 154.225 26.171 47.944 1.00737.35 O ATOM 49815 N3 U 02369 152.141 25.544 48.589 1.00737.35 N ATOM 49816 C4 U 02369 150.920 24.925 48.419 1.00737.35 C ATOM 49817 O4 U 02369 150.089 24.968 49.327 1.00737.35 O ATOM 49818 C5 U 02369 150.753 24.272 47.157 1.00737.35 C ATOM 49819 C6 U 02369 151.744 24.298 46.260 1.00737.35 C ATOM 49820 P G 02370 155.574 20.469 44.857 1.00737.35 P ATOM 49821 O1P G 02370 156.471 19.643 44.008 1.00737.35 O ATOM 49822 O2P G 02370 154.260 19.919 45.281 1.00737.35 O ATOM 49823 O5* G 02370 156.378 20.899 46.163 1.00737.35 O ATOM 49824 C5* G 02370 157.679 21.480 46.065 1.00737.35 C ATOM 49825 C4* G 02370 158.066 22.133 47.373 1.00737.35 C ATOM 49826 O4* G 02370 157.091 23.158 47.702 1.00737.35 O ATOM 49827 C3* G 02370 158.078 21.225 48.594 1.00737.35 C ATOM 49828 O3* G 02370 159.319 20.535 48.715 1.00737.35 O ATOM 49829 C2* G 02370 157.892 22.223 49.734 1.00737.35 C ATOM 49830 O2* G 02370 159.090 22.888 50.082 1.00737.35 O ATOM 49831 C1* G 02370 156.917 23.222 49.107 1.00737.35 C ATOM 49832 N9 G 02370 155.519 22.938 49.418 1.00737.35 N ATOM 49833 C8 G 02370 154.653 22.136 48.710 1.00737.35 C ATOM 49834 N7 G 02370 153.463 22.070 49.242 1.00737.35 N ATOM 49835 C5 G 02370 153.545 22.876 50.368 1.00737.35 C ATOM 49836 C6 G 02370 152.565 23.193 51.345 1.00737.35 C ATOM 49837 O6 G 02370 151.390 22.810 51.411 1.00737.35 O ATOM 49838 N1 G 02370 153.071 24.048 52.318 1.00737.35 N ATOM 49839 C2 G 02370 154.354 24.537 52.352 1.00737.35 C ATOM 49840 N2 G 02370 154.652 25.352 53.376 1.00737.35 N ATOM 49841 N3 G 02370 155.276 24.250 51.449 1.00737.35 N ATOM 49842 C4 G 02370 154.806 23.420 50.492 1.00737.35 C ATOM 49843 P A 02371 159.345 19.025 49.271 1.00737.35 P ATOM 49844 O1P A 02371 159.175 18.122 48.103 1.00737.35 O ATOM 49845 O2P A 02371 158.406 18.924 50.418 1.00737.35 O ATOM 49846 O5* A 02371 160.828 18.845 49.826 1.00737.35 O ATOM 49847 C5* A 02371 161.957 19.091 48.992 1.00737.35 C ATOM 49848 C4* A 02371 163.212 19.228 49.825 1.00737.35 C ATOM 49849 O4* A 02371 163.046 20.322 50.764 1.00737.35 O ATOM 49850 C3* A 02371 163.567 18.045 50.711 1.00737.35 C ATOM 49851 O3* A 02371 164.262 17.041 49.977 1.00737.35 O ATOM 49852 C2* A 02371 164.458 18.693 51.762 1.00737.35 C ATOM 49853 O2* A 02371 165.788 18.888 51.322 1.00737.35 O ATOM 49854 C1* A 02371 163.771 20.047 51.954 1.00737.35 C ATOM 49855 N9 A 02371 162.846 20.070 53.093 1.00737.35 N ATOM 49856 C8 A 02371 163.145 19.745 54.397 1.00737.35 C ATOM 49857 N7 A 02371 162.135 19.869 55.221 1.00737.35 N ATOM 49858 C5 A 02371 161.096 20.301 54.411 1.00737.35 C ATOM 49859 C6 A 02371 159.753 20.614 54.686 1.00737.35 C ATOM 49860 N6 A 02371 159.209 20.540 55.901 1.00737.35 N ATOM 49861 N1 A 02371 158.979 21.013 53.653 1.00737.35 N ATOM 49862 C2 A 02371 159.526 21.090 52.436 1.00737.35 C ATOM 49863 N3 A 02371 160.771 20.827 52.051 1.00737.35 N ATOM 49864 C4 A 02371 161.518 20.430 53.097 1.00737.35 C ATOM 49865 P A 02372 164.043 15.491 50.340 1.00737.35 P ATOM 49866 O1P A 02372 164.971 14.702 49.489 1.00737.35 O ATOM 49867 O2P A 02372 162.587 15.200 50.299 1.00737.35 O ATOM 49868 O5* A 02372 164.529 15.375 51.853 1.00737.35 O ATOM 49869 C5* A 02372 165.911 15.500 52.192 1.00737.35 C ATOM 49870 C4* A 02372 166.090 15.462 53.694 1.00737.35 C ATOM 49871 O4* A 02372 165.435 16.615 54.286 1.00737.35 O ATOM 49872 C3* A 02372 165.472 14.270 54.408 1.00737.35 C ATOM 49873 O3* A 02372 166.334 13.140 54.371 1.00737.35 O ATOM 49874 C2* A 02372 165.289 14.807 55.822 1.00737.35 C ATOM 49875 O2* A 02372 166.474 14.763 56.592 1.00737.35 O ATOM 49876 C1* A 02372 164.898 16.260 55.550 1.00737.35 C ATOM 49877 N9 A 02372 163.450 16.476 55.516 1.00737.35 N ATOM 49878 C8 A 02372 162.592 16.312 54.453 1.00737.35 C ATOM 49879 N7 A 02372 161.342 16.583 54.736 1.00737.35 N ATOM 49880 C5 A 02372 161.376 16.953 56.072 1.00737.35 C ATOM 49881 C6 A 02372 160.368 17.357 56.966 1.00737.35 C ATOM 49882 N6 A 02372 159.080 17.461 56.634 1.00737.35 N ATOM 49883 N1 A 02372 160.734 17.657 58.233 1.00737.35 N ATOM 49884 C2 A 02372 162.028 17.551 58.566 1.00737.35 C ATOM 49885 N3 A 02372 163.064 17.183 57.817 1.00737.35 N ATOM 49886 C4 A 02372 162.667 16.892 56.567 1.00737.35 C ATOM 49887 P C 02373 165.718 11.660 54.514 1.00737.35 P ATOM 49888 O1P C 02373 166.828 10.697 54.296 1.00737.35 O ATOM 49889 O2P C 02373 164.497 11.573 53.672 1.00737.35 O ATOM 49890 O5* C 02373 165.276 11.579 56.041 1.00737.35 O ATOM 49891 C5* C 02373 166.246 11.505 57.086 1.00737.35 C ATOM 49892 C4* C 02373 165.569 11.507 58.438 1.00737.35 C ATOM 49893 O4* C 02373 164.891 12.776 58.637 1.00737.35 O ATOM 49894 C3* C 02373 164.475 10.467 58.628 1.00737.35 C ATOM 49895 O3* C 02373 165.019 9.207 59.010 1.00737.35 O ATOM 49896 C2* C 02373 163.637 11.084 59.740 1.00737.35 C ATOM 49897 O2* C 02373 164.183 10.879 61.028 1.00737.35 O ATOM 49898 C1* C 02373 163.698 12.570 59.379 1.00737.35 C ATOM 49899 N1 C 02373 162.549 13.023 58.568 1.00737.35 N ATOM 49900 C2 C 02373 161.385 13.462 59.225 1.00737.35 C ATOM 49901 O2 C 02373 161.352 13.460 60.468 1.00737.35 O ATOM 49902 N3 C 02373 160.329 13.875 58.488 1.00737.35 N ATOM 49903 C4 C 02373 160.397 13.863 57.155 1.00737.35 C ATOM 49904 N4 C 02373 159.328 14.278 56.471 1.00737.35 N ATOM 49905 C5 C 02373 161.563 13.425 56.464 1.00737.35 C ATOM 49906 C6 C 02373 162.605 13.019 57.201 1.00737.35 C ATOM 49907 P C 02374 164.330 7.853 58.489 1.00737.35 P ATOM 49908 O1P C 02374 165.005 6.721 59.177 1.00737.35 O ATOM 49909 O2P C 02374 164.290 7.886 57.005 1.00737.35 O ATOM 49910 O5* C 02374 162.834 7.948 59.030 1.00737.35 O ATOM 49911 C5* C 02374 162.556 7.883 60.428 1.00737.35 C ATOM 49912 C4* C 02374 161.066 7.949 60.674 1.00737.35 C ATOM 49913 O4* C 02374 160.559 9.250 60.275 1.00737.35 O ATOM 49914 C3* C 02374 160.213 6.965 59.890 1.00737.35 C ATOM 49915 O3* C 02374 160.189 5.690 60.523 1.00737.35 O ATOM 49916 C2* C 02374 158.845 7.640 59.909 1.00737.35 C ATOM 49917 O2* C 02374 158.136 7.421 61.111 1.00737.35 O ATOM 49918 C1* C 02374 159.228 9.117 59.797 1.00737.35 C ATOM 49919 N1 C 02374 159.158 9.649 58.420 1.00737.35 N ATOM 49920 C2 C 02374 157.937 10.167 57.954 1.00737.35 C ATOM 49921 O2 C 02374 156.950 10.169 58.710 1.00737.35 O ATOM 49922 N3 C 02374 157.863 10.654 56.694 1.00737.35 N ATOM 49923 C4 C 02374 158.943 10.638 55.908 1.00737.35 C ATOM 49924 N4 C 02374 158.822 11.129 54.673 1.00737.35 N ATOM 49925 C5 C 02374 160.192 10.115 56.352 1.00737.35 C ATOM 49926 C6 C 02374 160.256 9.638 57.602 1.00737.35 C ATOM 49927 P G 02375 159.986 4.364 59.636 1.00737.35 P ATOM 49928 O1P G 02375 160.140 3.199 60.543 1.00737.35 O ATOM 49929 O2P G 02375 160.840 4.467 58.424 1.00737.35 O ATOM 49930 O5* G 02375 158.462 4.439 59.176 1.00737.35 O ATOM 49931 C5* G 02375 157.404 4.312 60.124 1.00737.35 C ATOM 49932 C4* G 02375 156.064 4.452 59.441 1.00737.35 C ATOM 49933 O4* G 02375 155.933 5.793 58.899 1.00737.35 O ATOM 49934 C3* G 02375 155.828 3.541 58.246 1.00737.35 C ATOM 49935 O3* G 02375 155.383 2.254 58.666 1.00737.35 O ATOM 49936 C2* G 02375 154.753 4.296 57.473 1.00737.35 C ATOM 49937 O2* G 02375 153.452 4.091 57.986 1.00737.35 O ATOM 49938 C1* G 02375 155.176 5.750 57.700 1.00737.35 C ATOM 49939 N9 G 02375 155.986 6.306 56.620 1.00737.35 N ATOM 49940 C8 G 02375 157.340 6.159 56.431 1.00737.35 C ATOM 49941 N7 G 02375 157.780 6.777 55.369 1.00737.35 N ATOM 49942 C5 G 02375 156.650 7.369 54.822 1.00737.35 C ATOM 49943 C6 G 02375 156.504 8.175 53.661 1.00737.35 C ATOM 49944 O6 G 02375 157.371 8.537 52.856 1.00737.35 O ATOM 49945 N1 G 02375 155.181 8.566 53.476 1.00737.35 N ATOM 49946 C2 G 02375 154.133 8.226 54.294 1.00737.35 C ATOM 49947 N2 G 02375 152.929 8.700 53.943 1.00737.35 N ATOM 49948 N3 G 02375 154.258 7.477 55.379 1.00737.35 N ATOM 49949 C4 G 02375 155.534 7.089 55.582 1.00737.35 C ATOM 49950 P G 02376 155.698 0.964 57.759 1.00737.35 P ATOM 49951 O1P G 02376 155.500 -0.246 58.598 1.00737.35 O ATOM 49952 O2P G 02376 157.003 1.184 57.084 1.00737.35 O ATOM 49953 O5* G 02376 154.558 0.994 56.641 1.00737.35 O ATOM 49954 C5* G 02376 153.210 0.664 56.962 1.00737.35 C ATOM 49955 C4* G 02376 152.336 0.746 55.730 1.00737.35 C ATOM 49956 O4* G 02376 152.298 2.117 55.259 1.00737.35 O ATOM 49957 C3* G 02376 152.808 -0.055 54.525 1.00737.35 C ATOM 49958 O3* G 02376 152.388 -1.414 54.617 1.00737.35 O ATOM 49959 C2* G 02376 152.136 0.678 53.371 1.00737.35 C ATOM 49960 O2* G 02376 150.781 0.315 53.193 1.00737.35 O ATOM 49961 C1* G 02376 152.226 2.134 53.841 1.00737.35 C ATOM 49962 N9 G 02376 153.399 2.840 53.325 1.00737.35 N ATOM 49963 C8 G 02376 154.653 2.891 53.884 1.00737.35 C ATOM 49964 N7 G 02376 155.496 3.603 53.188 1.00737.35 N ATOM 49965 C5 G 02376 154.756 4.050 52.103 1.00737.35 C ATOM 49966 C6 G 02376 155.135 4.866 51.006 1.00737.35 C ATOM 49967 O6 G 02376 156.239 5.374 50.767 1.00737.35 O ATOM 49968 N1 G 02376 154.072 5.073 50.133 1.00737.35 N ATOM 49969 C2 G 02376 152.808 4.566 50.293 1.00737.35 C ATOM 49970 N2 G 02376 151.919 4.880 49.339 1.00737.35 N ATOM 49971 N3 G 02376 152.440 3.803 51.310 1.00737.35 N ATOM 49972 C4 G 02376 153.460 3.588 52.171 1.00737.35 C ATOM 49973 P U 02377 153.181 -2.551 53.801 1.00737.35 P ATOM 49974 O1P U 02377 152.750 -3.874 54.322 1.00737.35 O ATOM 49975 O2P U 02377 154.624 -2.198 53.807 1.00737.35 O ATOM 49976 O5* U 02377 152.644 -2.400 52.309 1.00737.35 O ATOM 49977 C5* U 02377 151.307 -2.764 51.971 1.00737.35 C ATOM 49978 C4* U 02377 151.028 -2.470 50.512 1.00737.35 C ATOM 49979 O4* U 02377 151.098 -1.037 50.285 1.00737.35 O ATOM 49980 C3* U 02377 152.004 -3.066 49.510 1.00737.35 C ATOM 49981 O3* U 02377 151.797 -4.479 49.337 1.00737.35 O ATOM 49982 C2* U 02377 151.878 -2.118 48.319 1.00737.35 C ATOM 49983 O2* U 02377 150.755 -2.326 47.487 1.00737.35 O ATOM 49984 C1* U 02377 151.712 -0.774 49.030 1.00737.35 C ATOM 49985 N1 U 02377 152.978 -0.061 49.275 1.00737.35 N ATOM 49986 C2 U 02377 153.429 0.829 48.306 1.00737.35 C ATOM 49987 O2 U 02377 152.830 1.044 47.264 1.00737.35 O ATOM 49988 N3 U 02377 154.615 1.461 48.608 1.00737.35 N ATOM 49989 C4 U 02377 155.376 1.298 49.749 1.00737.35 C ATOM 49990 O4 U 02377 156.412 1.946 49.883 1.00737.35 O ATOM 49991 C5 U 02377 154.848 0.362 50.691 1.00737.35 C ATOM 49992 C6 U 02377 153.702 -0.269 50.431 1.00737.35 C ATOM 49993 P G 02378 150.884 -5.054 48.137 1.00737.35 P ATOM 49994 O1P G 02378 149.570 -4.360 48.161 1.00737.35 O ATOM 49995 O2P G 02378 150.924 -6.534 48.260 1.00737.35 O ATOM 49996 O5* G 02378 151.652 -4.671 46.794 1.00737.35 O ATOM 49997 C5* G 02378 151.090 -5.004 45.525 1.00737.35 C ATOM 49998 C4* G 02378 152.033 -4.636 44.402 1.00737.35 C ATOM 49999 O4* G 02378 152.290 -3.208 44.437 1.00737.35 O ATOM 50000 C3* G 02378 153.421 -5.258 44.431 1.00737.35 C ATOM 50001 O3* G 02378 153.407 -6.576 43.882 1.00737.35 O ATOM 50002 C2* G 02378 154.215 -4.295 43.558 1.00737.35 C ATOM 50003 O2* G 02378 154.023 -4.511 42.174 1.00737.35 O ATOM 50004 C1* G 02378 153.598 -2.950 43.953 1.00737.35 C ATOM 50005 N9 G 02378 154.352 -2.258 44.994 1.00737.35 N ATOM 50006 C8 G 02378 154.409 -2.574 46.332 1.00737.35 C ATOM 50007 N7 G 02378 155.177 -1.771 47.014 1.00737.35 N ATOM 50008 C5 G 02378 155.657 -0.871 46.074 1.00737.35 C ATOM 50009 C6 G 02378 156.535 0.232 46.223 1.00737.35 C ATOM 50010 O6 G 02378 157.083 0.647 47.252 1.00737.35 O ATOM 50011 N1 G 02378 156.758 0.876 45.011 1.00737.35 N ATOM 50012 C2 G 02378 156.206 0.509 43.809 1.00737.35 C ATOM 50013 N2 G 02378 156.543 1.260 42.749 1.00737.35 N ATOM 50014 N3 G 02378 155.386 -0.517 43.656 1.00737.35 N ATOM 50015 C4 G 02378 155.157 -1.156 44.821 1.00737.35 C ATOM 50016 P G 02379 154.617 -7.589 44.199 1.00737.35 P ATOM 50017 O1P G 02379 154.245 -8.929 43.679 1.00737.35 O ATOM 50018 O2P G 02379 154.975 -7.433 45.634 1.00737.35 O ATOM 50019 O5* G 02379 155.829 -7.033 43.326 1.00737.35 O ATOM 50020 C5* G 02379 155.733 -6.958 41.905 1.00737.35 C ATOM 50021 C4* G 02379 156.873 -6.141 41.337 1.00737.35 C ATOM 50022 O4* G 02379 156.844 -4.811 41.919 1.00737.35 O ATOM 50023 C3* G 02379 158.277 -6.647 41.638 1.00737.35 C ATOM 50024 O3* G 02379 158.668 -7.645 40.698 1.00737.35 O ATOM 50025 C2* G 02379 159.113 -5.382 41.485 1.00737.35 C ATOM 50026 O2* G 02379 159.417 -5.075 40.139 1.00737.35 O ATOM 50027 C1* G 02379 158.168 -4.318 42.054 1.00737.35 C ATOM 50028 N9 G 02379 158.418 -4.008 43.460 1.00737.35 N ATOM 50029 C8 G 02379 157.608 -4.296 44.535 1.00737.35 C ATOM 50030 N7 G 02379 158.102 -3.889 45.673 1.00737.35 N ATOM 50031 C5 G 02379 159.310 -3.297 45.333 1.00737.35 C ATOM 50032 C6 G 02379 160.292 -2.676 46.149 1.00737.35 C ATOM 50033 O6 G 02379 160.289 -2.517 47.378 1.00737.35 O ATOM 50034 N1 G 02379 161.366 -2.212 45.396 1.00737.35 N ATOM 50035 C2 G 02379 161.482 -2.328 44.032 1.00737.35 C ATOM 50036 N2 G 02379 162.598 -1.817 43.489 1.00737.35 N ATOM 50037 N3 G 02379 160.574 -2.901 43.259 1.00737.35 N ATOM 50038 C4 G 02379 159.521 -3.361 43.973 1.00737.35 C ATOM 50039 P U 02380 159.682 -8.813 41.144 1.00737.35 P ATOM 50040 O1P U 02380 159.955 -9.643 39.942 1.00737.35 O ATOM 50041 O2P U 02380 159.146 -9.458 42.369 1.00737.35 O ATOM 50042 O5* U 02380 161.024 -8.047 41.531 1.00737.35 O ATOM 50043 C5* U 02380 161.697 -7.212 40.587 1.00737.35 C ATOM 50044 C4* U 02380 162.705 -6.332 41.291 1.00737.35 C ATOM 50045 O4* U 02380 162.015 -5.537 42.292 1.00737.35 O ATOM 50046 C3* U 02380 163.785 -7.069 42.070 1.00737.35 C ATOM 50047 O3* U 02380 164.886 -7.400 41.229 1.00737.35 O ATOM 50048 C2* U 02380 164.188 -6.037 43.119 1.00737.35 C ATOM 50049 O2* U 02380 165.087 -5.063 42.626 1.00737.35 O ATOM 50050 C1* U 02380 162.842 -5.381 43.435 1.00737.35 C ATOM 50051 N1 U 02380 162.155 -5.968 44.600 1.00737.35 N ATOM 50052 C2 U 02380 162.469 -5.468 45.855 1.00737.35 C ATOM 50053 O2 U 02380 163.277 -4.570 46.037 1.00737.35 O ATOM 50054 N3 U 02380 161.797 -6.058 46.898 1.00737.35 N ATOM 50055 C4 U 02380 160.866 -7.075 46.820 1.00737.35 C ATOM 50056 O4 U 02380 160.348 -7.501 47.852 1.00737.35 O ATOM 50057 C5 U 02380 160.596 -7.536 45.493 1.00737.35 C ATOM 50058 C6 U 02380 161.232 -6.984 44.456 1.00737.35 C ATOM 50059 P A 02381 165.434 -8.911 41.178 1.00737.35 P ATOM 50060 O1P A 02381 166.841 -8.855 40.707 1.00737.35 O ATOM 50061 O2P A 02381 164.448 -9.738 40.437 1.00737.35 O ATOM 50062 O5* A 02381 165.440 -9.389 42.700 1.00737.35 O ATOM 50063 C5* A 02381 166.126 -8.650 43.706 1.00737.35 C ATOM 50064 C4* A 02381 165.903 -9.286 45.059 1.00737.35 C ATOM 50065 O4* A 02381 164.477 -9.335 45.324 1.00737.35 O ATOM 50066 C3* A 02381 166.368 -10.727 45.181 1.00737.35 C ATOM 50067 O3* A 02381 167.741 -10.781 45.561 1.00737.35 O ATOM 50068 C2* A 02381 165.474 -11.263 46.296 1.00737.35 C ATOM 50069 O2* A 02381 165.943 -10.934 47.589 1.00737.35 O ATOM 50070 C1* A 02381 164.162 -10.525 46.022 1.00737.35 C ATOM 50071 N9 A 02381 163.204 -11.290 45.222 1.00737.35 N ATOM 50072 C8 A 02381 163.263 -11.583 43.880 1.00737.35 C ATOM 50073 N7 A 02381 162.246 -12.290 43.447 1.00737.35 N ATOM 50074 C5 A 02381 161.466 -12.476 44.578 1.00737.35 C ATOM 50075 C6 A 02381 160.247 -13.143 44.789 1.00737.35 C ATOM 50076 N6 A 02381 159.574 -13.776 43.822 1.00737.35 N ATOM 50077 N1 A 02381 159.734 -13.142 46.037 1.00737.35 N ATOM 50078 C2 A 02381 160.407 -12.508 47.004 1.00737.35 C ATOM 50079 N3 A 02381 161.560 -11.843 46.933 1.00737.35 N ATOM 50080 C4 A 02381 162.043 -11.865 45.679 1.00737.35 C ATOM 50081 P C 02382 168.892 -10.674 44.440 1.00737.35 P ATOM 50082 O1P C 02382 168.292 -10.982 43.115 1.00737.35 O ATOM 50083 O2P C 02382 170.061 -11.459 44.913 1.00737.35 O ATOM 50084 O5* C 02382 169.287 -9.129 44.453 1.00737.35 O ATOM 50085 C5* C 02382 170.498 -8.670 43.856 1.00737.35 C ATOM 50086 C4* C 02382 171.226 -7.738 44.799 1.00737.35 C ATOM 50087 O4* C 02382 170.417 -6.555 45.039 1.00737.35 O ATOM 50088 C3* C 02382 171.501 -8.303 46.185 1.00737.35 C ATOM 50089 O3* C 02382 172.707 -9.061 46.189 1.00737.35 O ATOM 50090 C2* C 02382 171.609 -7.044 47.037 1.00737.35 C ATOM 50091 O2* C 02382 172.875 -6.420 46.953 1.00737.35 O ATOM 50092 C1* C 02382 170.549 -6.149 46.393 1.00737.35 C ATOM 50093 N1 C 02382 169.220 -6.220 47.037 1.00737.35 N ATOM 50094 C2 C 02382 169.009 -5.546 48.257 1.00737.35 C ATOM 50095 O2 C 02382 169.945 -4.915 48.778 1.00737.35 O ATOM 50096 N3 C 02382 167.785 -5.601 48.834 1.00737.35 N ATOM 50097 C4 C 02382 166.801 -6.289 48.251 1.00737.35 C ATOM 50098 N4 C 02382 165.610 -6.309 48.853 1.00737.35 N ATOM 50099 C5 C 02382 166.990 -6.985 47.024 1.00737.35 C ATOM 50100 C6 C 02382 168.201 -6.926 46.459 1.00737.35 C ATOM 50101 P C 02383 172.904 -10.244 47.262 1.00737.35 P ATOM 50102 O1P C 02383 174.195 -10.911 46.952 1.00737.35 O ATOM 50103 O2P C 02383 171.658 -11.049 47.316 1.00737.35 O ATOM 50104 O5* C 02383 173.061 -9.475 48.649 1.00737.35 O ATOM 50105 C5* C 02383 174.137 -8.564 48.866 1.00737.35 C ATOM 50106 C4* C 02383 173.958 -7.845 50.182 1.00737.35 C ATOM 50107 O4* C 02383 172.741 -7.053 50.134 1.00737.35 O ATOM 50108 C3* C 02383 173.780 -8.743 51.397 1.00737.35 C ATOM 50109 O3* C 02383 175.042 -9.147 51.921 1.00737.35 O ATOM 50110 C2* C 02383 173.029 -7.832 52.361 1.00737.35 C ATOM 50111 O2* C 02383 173.871 -6.922 53.039 1.00737.35 O ATOM 50112 C1* C 02383 172.107 -7.069 51.405 1.00737.35 C ATOM 50113 N1 C 02383 170.768 -7.680 51.256 1.00737.35 N ATOM 50114 C2 C 02383 169.790 -7.424 52.235 1.00737.35 C ATOM 50115 O2 C 02383 170.072 -6.700 53.204 1.00737.35 O ATOM 50116 N3 C 02383 168.562 -7.976 52.098 1.00737.35 N ATOM 50117 C4 C 02383 168.292 -8.755 51.048 1.00737.35 C ATOM 50118 N4 C 02383 167.066 -9.275 50.954 1.00737.35 N ATOM 50119 C5 C 02383 169.264 -9.033 50.044 1.00737.35 C ATOM 50120 C6 C 02383 170.476 -8.481 50.185 1.00737.35 C ATOM 50121 P G 02384 175.262 -10.671 52.391 1.00737.35 P ATOM 50122 O1P G 02384 176.578 -10.736 53.077 1.00737.35 O ATOM 50123 O2P G 02384 174.998 -11.562 51.232 1.00737.35 O ATOM 50124 O5* G 02384 174.122 -10.915 53.477 1.00737.35 O ATOM 50125 C5* G 02384 173.948 -10.017 54.569 1.00737.35 C ATOM 50126 C4* G 02384 172.554 -10.143 55.137 1.00737.35 C ATOM 50127 O4* G 02384 171.582 -9.876 54.093 1.00737.35 O ATOM 50128 C3* G 02384 172.175 -11.519 55.660 1.00737.35 C ATOM 50129 O3* G 02384 172.621 -11.659 57.003 1.00737.35 O ATOM 50130 C2* G 02384 170.654 -11.486 55.578 1.00737.35 C ATOM 50131 O2* G 02384 170.059 -10.809 56.667 1.00737.35 O ATOM 50132 C1* G 02384 170.434 -10.683 54.295 1.00737.35 C ATOM 50133 N9 G 02384 170.236 -11.515 53.107 1.00737.35 N ATOM 50134 C8 G 02384 171.207 -12.041 52.288 1.00737.35 C ATOM 50135 N7 G 02384 170.720 -12.746 51.304 1.00737.35 N ATOM 50136 C5 G 02384 169.344 -12.682 51.484 1.00737.35 C ATOM 50137 C6 G 02384 168.291 -13.258 50.724 1.00737.35 C ATOM 50138 O6 G 02384 168.366 -13.958 49.709 1.00737.35 O ATOM 50139 N1 G 02384 167.046 -12.942 51.259 1.00737.35 N ATOM 50140 C2 G 02384 166.838 -12.175 52.379 1.00737.35 C ATOM 50141 N2 G 02384 165.559 -11.985 52.737 1.00737.35 N ATOM 50142 N3 G 02384 167.809 -11.634 53.094 1.00737.35 N ATOM 50143 C4 G 02384 169.029 -11.928 52.593 1.00737.35 C ATOM 50144 P U 02385 172.873 -13.123 57.619 1.00737.35 P ATOM 50145 O1P U 02385 173.947 -13.765 56.818 1.00737.35 O ATOM 50146 O2P U 02385 171.562 -13.804 57.767 1.00737.35 O ATOM 50147 O5* U 02385 173.450 -12.818 59.073 1.00737.35 O ATOM 50148 C5* U 02385 173.130 -11.598 59.738 1.00737.35 C ATOM 50149 C4* U 02385 174.339 -11.065 60.469 1.00737.35 C ATOM 50150 O4* U 02385 174.090 -9.688 60.851 1.00737.35 O ATOM 50151 C3* U 02385 174.685 -11.775 61.768 1.00737.35 C ATOM 50152 O3* U 02385 175.501 -12.917 61.524 1.00737.35 O ATOM 50153 C2* U 02385 175.423 -10.691 62.545 1.00737.35 C ATOM 50154 O2* U 02385 176.782 -10.564 62.169 1.00737.35 O ATOM 50155 C1* U 02385 174.650 -9.436 62.128 1.00737.35 C ATOM 50156 N1 U 02385 173.562 -9.064 63.045 1.00737.35 N ATOM 50157 C2 U 02385 173.820 -8.092 64.002 1.00737.35 C ATOM 50158 O2 U 02385 174.905 -7.544 64.121 1.00737.35 O ATOM 50159 N3 U 02385 172.757 -7.786 64.816 1.00737.35 N ATOM 50160 C4 U 02385 171.493 -8.338 64.780 1.00737.35 C ATOM 50161 O4 U 02385 170.642 -7.951 65.582 1.00737.35 O ATOM 50162 C5 U 02385 171.306 -9.334 63.772 1.00737.35 C ATOM 50163 C6 U 02385 172.318 -9.655 62.960 1.00737.35 C ATOM 50164 P G 02386 175.333 -14.226 62.442 1.00737.35 P ATOM 50165 O1P G 02386 173.886 -14.565 62.469 1.00737.35 O ATOM 50166 O2P G 02386 176.057 -13.999 63.718 1.00737.35 O ATOM 50167 O5* G 02386 176.085 -15.375 61.633 1.00737.35 O ATOM 50168 C5* G 02386 177.483 -15.297 61.360 1.00737.35 C ATOM 50169 C4* G 02386 177.991 -16.631 60.856 1.00737.35 C ATOM 50170 O4* G 02386 177.829 -17.626 61.902 1.00737.35 O ATOM 50171 C3* G 02386 177.244 -17.200 59.660 1.00737.35 C ATOM 50172 O3* G 02386 177.786 -16.697 58.441 1.00737.35 O ATOM 50173 C2* G 02386 177.465 -18.699 59.813 1.00737.35 C ATOM 50174 O2* G 02386 178.722 -19.127 59.327 1.00737.35 O ATOM 50175 C1* G 02386 177.418 -18.859 61.334 1.00737.35 C ATOM 50176 N9 G 02386 176.093 -19.187 61.863 1.00737.35 N ATOM 50177 C8 G 02386 175.263 -18.361 62.585 1.00737.35 C ATOM 50178 N7 G 02386 174.146 -18.937 62.937 1.00737.35 N ATOM 50179 C5 G 02386 174.240 -20.220 62.414 1.00737.35 C ATOM 50180 C6 G 02386 173.327 -21.304 62.479 1.00737.35 C ATOM 50181 O6 G 02386 172.220 -21.348 63.031 1.00737.35 O ATOM 50182 N1 G 02386 173.815 -22.420 61.810 1.00737.35 N ATOM 50183 C2 G 02386 175.024 -22.492 61.164 1.00737.35 C ATOM 50184 N2 G 02386 175.309 -23.663 60.572 1.00737.35 N ATOM 50185 N3 G 02386 175.888 -21.488 61.103 1.00737.35 N ATOM 50186 C4 G 02386 175.434 -20.390 61.745 1.00737.35 C ATOM 50187 P U 02387 176.814 -16.401 57.195 1.00737.35 P ATOM 50188 O1P U 02387 177.628 -15.722 56.154 1.00737.35 O ATOM 50189 O2P U 02387 175.583 -15.745 57.706 1.00737.35 O ATOM 50190 O5* U 02387 176.416 -17.847 56.659 1.00737.35 O ATOM 50191 C5* U 02387 177.340 -18.635 55.906 1.00737.35 C ATOM 50192 C4* U 02387 176.706 -19.952 55.515 1.00737.35 C ATOM 50193 O4* U 02387 176.419 -20.718 56.713 1.00737.35 O ATOM 50194 C3* U 02387 175.371 -19.848 54.796 1.00737.35 C ATOM 50195 O3* U 02387 175.551 -19.655 53.396 1.00737.35 O ATOM 50196 C2* U 02387 174.727 -21.191 55.116 1.00737.35 C ATOM 50197 O2* U 02387 175.198 -22.242 54.292 1.00737.35 O ATOM 50198 C1* U 02387 175.192 -21.414 56.556 1.00737.35 C ATOM 50199 N1 U 02387 174.239 -20.917 57.562 1.00737.35 N ATOM 50200 C2 U 02387 173.224 -21.770 57.975 1.00737.35 C ATOM 50201 O2 U 02387 173.090 -22.904 57.544 1.00737.35 O ATOM 50202 N3 U 02387 172.372 -21.241 58.916 1.00737.35 N ATOM 50203 C4 U 02387 172.426 -19.979 59.471 1.00737.35 C ATOM 50204 O4 U 02387 171.595 -19.653 60.319 1.00737.35 O ATOM 50205 C5 U 02387 173.496 -19.159 58.993 1.00737.35 C ATOM 50206 C6 U 02387 174.342 -19.643 58.080 1.00737.35 C ATOM 50207 P G 02388 174.486 -18.779 52.568 1.00737.35 P ATOM 50208 O1P G 02388 174.984 -18.691 51.171 1.00737.35 O ATOM 50209 O2P G 02388 174.210 -17.531 53.328 1.00737.35 O ATOM 50210 O5* G 02388 173.163 -19.667 52.579 1.00737.35 O ATOM 50211 C5* G 02388 173.041 -20.814 51.737 1.00737.35 C ATOM 50212 C4* G 02388 171.709 -21.492 51.960 1.00737.35 C ATOM 50213 O4* G 02388 171.654 -22.016 53.313 1.00737.35 O ATOM 50214 C3* G 02388 170.481 -20.603 51.852 1.00737.35 C ATOM 50215 O3* G 02388 170.067 -20.450 50.499 1.00737.35 O ATOM 50216 C2* G 02388 169.453 -21.370 52.679 1.00737.35 C ATOM 50217 O2* G 02388 168.852 -22.433 51.970 1.00737.35 O ATOM 50218 C1* G 02388 170.328 -21.928 53.806 1.00737.35 C ATOM 50219 N9 G 02388 170.331 -21.092 55.006 1.00737.35 N ATOM 50220 C8 G 02388 171.261 -20.142 55.356 1.00737.35 C ATOM 50221 N7 G 02388 170.993 -19.556 56.490 1.00737.35 N ATOM 50222 C5 G 02388 169.816 -20.152 56.917 1.00737.35 C ATOM 50223 C6 G 02388 169.041 -19.924 58.086 1.00737.35 C ATOM 50224 O6 G 02388 169.251 -19.126 59.005 1.00737.35 O ATOM 50225 N1 G 02388 167.921 -20.747 58.124 1.00737.35 N ATOM 50226 C2 G 02388 167.585 -21.670 57.165 1.00737.35 C ATOM 50227 N2 G 02388 166.462 -22.369 57.386 1.00737.35 N ATOM 50228 N3 G 02388 168.298 -21.893 56.072 1.00737.35 N ATOM 50229 C4 G 02388 169.391 -21.102 56.014 1.00737.35 C ATOM 50230 P G 02389 169.224 -19.153 50.063 1.00737.35 P ATOM 50231 O1P G 02389 168.863 -19.319 48.633 1.00737.35 O ATOM 50232 O2P G 02389 169.971 -17.941 50.493 1.00737.35 O ATOM 50233 O5* G 02389 167.889 -19.259 50.925 1.00737.35 O ATOM 50234 C5* G 02389 167.056 -18.123 51.143 1.00737.35 C ATOM 50235 C4* G 02389 165.886 -18.495 52.020 1.00737.35 C ATOM 50236 O4* G 02389 166.379 -19.097 53.246 1.00737.35 O ATOM 50237 C3* G 02389 165.022 -17.335 52.491 1.00737.35 C ATOM 50238 O3* G 02389 164.039 -17.001 51.516 1.00737.35 O ATOM 50239 C2* G 02389 164.388 -17.896 53.758 1.00737.35 C ATOM 50240 O2* G 02389 163.274 -18.725 53.503 1.00737.35 O ATOM 50241 C1* G 02389 165.535 -18.738 54.327 1.00737.35 C ATOM 50242 N9 G 02389 166.335 -18.036 55.328 1.00737.35 N ATOM 50243 C8 G 02389 167.498 -17.332 55.122 1.00737.35 C ATOM 50244 N7 G 02389 167.984 -16.813 56.219 1.00737.35 N ATOM 50245 C5 G 02389 167.089 -17.197 57.207 1.00737.35 C ATOM 50246 C6 G 02389 167.091 -16.934 58.602 1.00737.35 C ATOM 50247 O6 G 02389 167.912 -16.286 59.263 1.00737.35 O ATOM 50248 N1 G 02389 165.997 -17.513 59.233 1.00737.35 N ATOM 50249 C2 G 02389 165.024 -18.252 58.609 1.00737.35 C ATOM 50250 N2 G 02389 164.043 -18.726 59.395 1.00737.35 N ATOM 50251 N3 G 02389 165.009 -18.507 57.311 1.00737.35 N ATOM 50252 C4 G 02389 166.065 -17.952 56.676 1.00737.35 C ATOM 50253 P A 02390 163.535 -15.478 51.379 1.00737.35 P ATOM 50254 O1P A 02390 162.452 -15.462 50.362 1.00737.35 O ATOM 50255 O2P A 02390 164.723 -14.607 51.198 1.00737.35 O ATOM 50256 O5* A 02390 162.892 -15.152 52.800 1.00737.35 O ATOM 50257 C5* A 02390 161.695 -15.797 53.231 1.00737.35 C ATOM 50258 C4* A 02390 161.421 -15.483 54.684 1.00737.35 C ATOM 50259 O4* A 02390 162.506 -16.001 55.497 1.00737.35 O ATOM 50260 C3* A 02390 161.352 -14.004 55.039 1.00737.35 C ATOM 50261 O3* A 02390 160.049 -13.482 54.800 1.00737.35 O ATOM 50262 C2* A 02390 161.701 -14.012 56.524 1.00737.35 C ATOM 50263 O2* A 02390 160.605 -14.352 57.350 1.00737.35 O ATOM 50264 C1* A 02390 162.757 -15.119 56.580 1.00737.35 C ATOM 50265 N9 A 02390 164.130 -14.625 56.464 1.00737.35 N ATOM 50266 C8 A 02390 164.862 -14.415 55.319 1.00737.35 C ATOM 50267 N7 A 02390 166.072 -13.961 55.538 1.00737.35 N ATOM 50268 C5 A 02390 166.144 -13.864 56.920 1.00737.35 C ATOM 50269 C6 A 02390 167.169 -13.445 57.785 1.00737.35 C ATOM 50270 N6 A 02390 168.368 -13.030 57.368 1.00737.35 N ATOM 50271 N1 A 02390 166.922 -13.466 59.113 1.00737.35 N ATOM 50272 C2 A 02390 165.720 -13.884 59.532 1.00737.35 C ATOM 50273 N3 A 02390 164.676 -14.303 58.819 1.00737.35 N ATOM 50274 C4 A 02390 164.957 -14.268 57.505 1.00737.35 C ATOM 50275 P A 02391 159.856 -11.907 54.532 1.00737.35 P ATOM 50276 O1P A 02391 158.439 -11.696 54.144 1.00737.35 O ATOM 50277 O2P A 02391 160.939 -11.443 53.625 1.00737.35 O ATOM 50278 O5* A 02391 160.089 -11.241 55.962 1.00737.35 O ATOM 50279 C5* A 02391 159.153 -11.436 57.023 1.00737.35 C ATOM 50280 C4* A 02391 159.682 -10.840 58.310 1.00737.35 C ATOM 50281 O4* A 02391 160.900 -11.533 58.691 1.00737.35 O ATOM 50282 C3* A 02391 160.087 -9.374 58.242 1.00737.35 C ATOM 50283 O3* A 02391 158.966 -8.520 58.448 1.00737.35 O ATOM 50284 C2* A 02391 161.089 -9.266 59.385 1.00737.35 C ATOM 50285 O2* A 02391 160.480 -9.135 60.652 1.00737.35 O ATOM 50286 C1* A 02391 161.803 -10.618 59.292 1.00737.35 C ATOM 50287 N9 A 02391 163.026 -10.573 58.486 1.00737.35 N ATOM 50288 C8 A 02391 163.166 -10.842 57.145 1.00737.35 C ATOM 50289 N7 A 02391 164.395 -10.710 56.706 1.00737.35 N ATOM 50290 C5 A 02391 165.112 -10.330 57.832 1.00737.35 C ATOM 50291 C6 A 02391 166.470 -10.033 58.030 1.00737.35 C ATOM 50292 N6 A 02391 167.386 -10.072 57.059 1.00737.35 N ATOM 50293 N1 A 02391 166.863 -9.687 59.276 1.00737.35 N ATOM 50294 C2 A 02391 165.943 -9.646 60.249 1.00737.35 C ATOM 50295 N3 A 02391 164.639 -9.904 60.186 1.00737.35 N ATOM 50296 C4 A 02391 164.281 -10.243 58.936 1.00737.35 C ATOM 50297 P G 02392 158.820 -7.172 57.580 1.00737.35 P ATOM 50298 O1P G 02392 157.698 -6.395 58.162 1.00737.35 O ATOM 50299 O2P G 02392 158.787 -7.546 56.143 1.00737.35 O ATOM 50300 O5* G 02392 160.177 -6.381 57.858 1.00737.35 O ATOM 50301 C5* G 02392 160.469 -5.848 59.150 1.00737.35 C ATOM 50302 C4* G 02392 161.903 -5.373 59.210 1.00737.35 C ATOM 50303 O4* G 02392 162.793 -6.505 59.016 1.00737.35 O ATOM 50304 C3* G 02392 162.313 -4.377 58.135 1.00737.35 C ATOM 50305 O3* G 02392 161.982 -3.045 58.515 1.00737.35 O ATOM 50306 C2* G 02392 163.821 -4.591 58.053 1.00737.35 C ATOM 50307 O2* G 02392 164.536 -3.924 59.072 1.00737.35 O ATOM 50308 C1* G 02392 163.919 -6.106 58.253 1.00737.35 C ATOM 50309 N9 G 02392 163.918 -6.860 57.000 1.00737.35 N ATOM 50310 C8 G 02392 162.832 -7.437 56.381 1.00737.35 C ATOM 50311 N7 G 02392 163.141 -8.048 55.269 1.00737.35 N ATOM 50312 C5 G 02392 164.510 -7.864 55.144 1.00737.35 C ATOM 50313 C6 G 02392 165.406 -8.304 54.136 1.00737.35 C ATOM 50314 O6 G 02392 165.158 -8.964 53.118 1.00737.35 O ATOM 50315 N1 G 02392 166.710 -7.896 54.397 1.00737.35 N ATOM 50316 C2 G 02392 167.104 -7.162 55.488 1.00737.35 C ATOM 50317 N2 G 02392 168.412 -6.866 55.559 1.00737.35 N ATOM 50318 N3 G 02392 166.281 -6.748 56.437 1.00737.35 N ATOM 50319 C4 G 02392 165.007 -7.130 56.202 1.00737.35 C ATOM 50320 P G 02393 161.785 -1.915 57.388 1.00737.35 P ATOM 50321 O1P G 02393 161.226 -0.714 58.063 1.00737.35 O ATOM 50322 O2P G 02393 161.056 -2.514 56.239 1.00737.35 O ATOM 50323 O5* G 02393 163.269 -1.581 56.914 1.00737.35 O ATOM 50324 C5* G 02393 164.155 -0.828 57.741 1.00737.35 C ATOM 50325 C4* G 02393 165.494 -0.655 57.060 1.00737.35 C ATOM 50326 O4* G 02393 166.129 -1.951 56.906 1.00737.35 O ATOM 50327 C3* G 02393 165.448 -0.080 55.652 1.00737.35 C ATOM 50328 O3* G 02393 165.409 1.345 55.682 1.00737.35 O ATOM 50329 C2* G 02393 166.743 -0.606 55.044 1.00737.35 C ATOM 50330 O2* G 02393 167.878 0.157 55.403 1.00737.35 O ATOM 50331 C1* G 02393 166.834 -1.996 55.676 1.00737.35 C ATOM 50332 N9 G 02393 166.260 -3.060 54.854 1.00737.35 N ATOM 50333 C8 G 02393 165.030 -3.657 55.014 1.00737.35 C ATOM 50334 N7 G 02393 164.796 -4.591 54.134 1.00737.35 N ATOM 50335 C5 G 02393 165.934 -4.614 53.342 1.00737.35 C ATOM 50336 C6 G 02393 166.258 -5.425 52.226 1.00737.35 C ATOM 50337 O6 G 02393 165.584 -6.317 51.704 1.00737.35 O ATOM 50338 N1 G 02393 167.514 -5.114 51.714 1.00737.35 N ATOM 50339 C2 G 02393 168.354 -4.148 52.211 1.00737.35 C ATOM 50340 N2 G 02393 169.525 -3.999 51.570 1.00737.35 N ATOM 50341 N3 G 02393 168.067 -3.387 53.257 1.00737.35 N ATOM 50342 C4 G 02393 166.849 -3.672 53.769 1.00737.35 C ATOM 50343 P G 02394 164.794 2.155 54.438 1.00737.35 P ATOM 50344 O1P G 02394 164.765 3.590 54.818 1.00737.35 O ATOM 50345 O2P G 02394 163.539 1.485 54.009 1.00737.35 O ATOM 50346 O5* G 02394 165.879 1.969 53.282 1.00737.35 O ATOM 50347 C5* G 02394 167.206 2.473 53.434 1.00737.35 C ATOM 50348 C4* G 02394 168.084 1.986 52.303 1.00737.35 C ATOM 50349 O4* G 02394 168.151 0.536 52.340 1.00737.35 O ATOM 50350 C3* G 02394 167.593 2.308 50.901 1.00737.35 C ATOM 50351 O3* G 02394 168.008 3.610 50.501 1.00737.35 O ATOM 50352 C2* G 02394 168.256 1.219 50.067 1.00737.35 C ATOM 50353 O2* G 02394 169.606 1.500 49.751 1.00737.35 O ATOM 50354 C1* G 02394 168.184 0.022 51.019 1.00737.35 C ATOM 50355 N9 G 02394 167.002 -0.812 50.815 1.00737.35 N ATOM 50356 C8 G 02394 165.916 -0.936 51.651 1.00737.35 C ATOM 50357 N7 G 02394 165.010 -1.758 51.198 1.00737.35 N ATOM 50358 C5 G 02394 165.525 -2.205 49.989 1.00737.35 C ATOM 50359 C6 G 02394 164.986 -3.114 49.040 1.00737.35 C ATOM 50360 O6 G 02394 163.910 -3.724 49.082 1.00737.35 O ATOM 50361 N1 G 02394 165.836 -3.282 47.955 1.00737.35 N ATOM 50362 C2 G 02394 167.050 -2.661 47.798 1.00737.35 C ATOM 50363 N2 G 02394 167.726 -2.956 46.677 1.00737.35 N ATOM 50364 N3 G 02394 167.566 -1.812 48.672 1.00737.35 N ATOM 50365 C4 G 02394 166.754 -1.632 49.737 1.00737.35 C ATOM 50366 P C 02395 167.105 4.460 49.478 1.00737.35 P ATOM 50367 O1P C 02395 167.798 5.753 49.246 1.00737.35 O ATOM 50368 O2P C 02395 165.704 4.458 49.973 1.00737.35 O ATOM 50369 O5* C 02395 167.155 3.617 48.124 1.00737.35 O ATOM 50370 C5* C 02395 168.381 3.436 47.417 1.00737.35 C ATOM 50371 C4* C 02395 168.191 2.460 46.277 1.00737.35 C ATOM 50372 O4* C 02395 167.812 1.164 46.815 1.00737.35 O ATOM 50373 C3* C 02395 167.080 2.804 45.295 1.00737.35 C ATOM 50374 O3* C 02395 167.552 3.707 44.293 1.00737.35 O ATOM 50375 C2* C 02395 166.734 1.438 44.711 1.00737.35 C ATOM 50376 O2* C 02395 167.622 1.028 43.692 1.00737.35 O ATOM 50377 C1* C 02395 166.895 0.532 45.935 1.00737.35 C ATOM 50378 N1 C 02395 165.636 0.271 46.665 1.00737.35 N ATOM 50379 C2 C 02395 164.734 -0.682 46.153 1.00737.35 C ATOM 50380 O2 C 02395 165.010 -1.271 45.092 1.00737.35 O ATOM 50381 N3 C 02395 163.590 -0.936 46.826 1.00737.35 N ATOM 50382 C4 C 02395 163.319 -0.282 47.958 1.00737.35 C ATOM 50383 N4 C 02395 162.176 -0.569 48.587 1.00737.35 N ATOM 50384 C5 C 02395 164.208 0.696 48.494 1.00737.35 C ATOM 50385 C6 C 02395 165.342 0.939 47.823 1.00737.35 C ATOM 50386 P C 02396 166.664 4.989 43.883 1.00737.35 P ATOM 50387 O1P C 02396 167.585 6.028 43.358 1.00737.35 O ATOM 50388 O2P C 02396 165.767 5.316 45.023 1.00737.35 O ATOM 50389 O5* C 02396 165.756 4.483 42.676 1.00737.35 O ATOM 50390 C5* C 02396 165.059 3.242 42.754 1.00737.35 C ATOM 50391 C4* C 02396 163.870 3.240 41.820 1.00737.35 C ATOM 50392 O4* C 02396 163.241 1.930 41.885 1.00737.35 O ATOM 50393 C3* C 02396 162.763 4.222 42.176 1.00737.35 C ATOM 50394 O3* C 02396 163.000 5.499 41.588 1.00737.35 O ATOM 50395 C2* C 02396 161.528 3.540 41.601 1.00737.35 C ATOM 50396 O2* C 02396 161.392 3.717 40.205 1.00737.35 O ATOM 50397 C1* C 02396 161.830 2.073 41.911 1.00737.35 C ATOM 50398 N1 C 02396 161.348 1.643 43.241 1.00737.35 N ATOM 50399 C2 C 02396 160.072 1.065 43.350 1.00737.35 C ATOM 50400 O2 C 02396 159.379 0.926 42.330 1.00737.35 O ATOM 50401 N3 C 02396 159.630 0.672 44.568 1.00737.35 N ATOM 50402 C4 C 02396 160.401 0.839 45.645 1.00737.35 C ATOM 50403 N4 C 02396 159.923 0.436 46.824 1.00737.35 N ATOM 50404 C5 C 02396 161.697 1.424 45.562 1.00737.35 C ATOM 50405 C6 C 02396 162.126 1.806 44.355 1.00737.35 C ATOM 50406 P A 02397 162.328 6.812 42.230 1.00737.35 P ATOM 50407 O1P A 02397 162.808 7.997 41.473 1.00737.35 O ATOM 50408 O2P A 02397 162.534 6.751 43.700 1.00737.35 O ATOM 50409 O5* A 02397 160.770 6.630 41.943 1.00737.35 O ATOM 50410 C5* A 02397 160.273 6.558 40.606 1.00737.35 C ATOM 50411 C4* A 02397 158.804 6.205 40.612 1.00737.35 C ATOM 50412 O4* A 02397 158.626 4.905 41.237 1.00737.35 O ATOM 50413 C3* A 02397 157.902 7.135 41.407 1.00737.35 C ATOM 50414 O3* A 02397 157.513 8.261 40.630 1.00737.35 O ATOM 50415 C2* A 02397 156.718 6.231 41.733 1.00737.35 C ATOM 50416 O2* A 02397 155.804 6.102 40.660 1.00737.35 O ATOM 50417 C1* A 02397 157.418 4.894 41.983 1.00737.35 C ATOM 50418 N9 A 02397 157.748 4.667 43.392 1.00737.35 N ATOM 50419 C8 A 02397 158.950 4.880 44.020 1.00737.35 C ATOM 50420 N7 A 02397 158.942 4.586 45.298 1.00737.35 N ATOM 50421 C5 A 02397 157.643 4.149 45.529 1.00737.35 C ATOM 50422 C6 A 02397 156.993 3.694 46.690 1.00737.35 C ATOM 50423 N6 A 02397 157.590 3.604 47.879 1.00737.35 N ATOM 50424 N1 A 02397 155.695 3.335 46.585 1.00737.35 N ATOM 50425 C2 A 02397 155.100 3.433 45.389 1.00737.35 C ATOM 50426 N3 A 02397 155.605 3.847 44.226 1.00737.35 N ATOM 50427 C4 A 02397 156.897 4.194 44.366 1.00737.35 C ATOM 50428 P U 02398 157.184 9.659 41.356 1.00737.35 P ATOM 50429 O1P U 02398 156.777 10.637 40.314 1.00737.35 O ATOM 50430 O2P U 02398 158.324 9.979 42.253 1.00737.35 O ATOM 50431 O5* U 02398 155.915 9.335 42.263 1.00737.35 O ATOM 50432 C5* U 02398 154.676 8.939 41.679 1.00737.35 C ATOM 50433 C4* U 02398 153.750 8.380 42.737 1.00737.35 C ATOM 50434 O4* U 02398 154.356 7.202 43.333 1.00737.35 O ATOM 50435 C3* U 02398 153.468 9.294 43.919 1.00737.35 C ATOM 50436 O3* U 02398 152.410 10.205 43.618 1.00737.35 O ATOM 50437 C2* U 02398 153.078 8.301 45.006 1.00737.35 C ATOM 50438 O2* U 02398 151.742 7.852 44.901 1.00737.35 O ATOM 50439 C1* U 02398 154.039 7.145 44.715 1.00737.35 C ATOM 50440 N1 U 02398 155.288 7.209 45.492 1.00737.35 N ATOM 50441 C2 U 02398 155.286 6.663 46.769 1.00737.35 C ATOM 50442 O2 U 02398 154.307 6.133 47.268 1.00737.35 O ATOM 50443 N3 U 02398 156.481 6.760 47.440 1.00737.35 N ATOM 50444 C4 U 02398 157.650 7.332 46.982 1.00737.35 C ATOM 50445 O4 U 02398 158.645 7.337 47.709 1.00737.35 O ATOM 50446 C5 U 02398 157.573 7.870 45.660 1.00737.35 C ATOM 50447 C6 U 02398 156.426 7.793 44.977 1.00737.35 C ATOM 50448 P C 02399 152.214 11.523 44.519 1.00737.35 P ATOM 50449 O1P C 02399 151.198 12.381 43.857 1.00737.35 O ATOM 50450 O2P C 02399 153.560 12.078 44.817 1.00737.35 O ATOM 50451 O5* C 02399 151.595 10.969 45.878 1.00737.35 O ATOM 50452 C5* C 02399 150.284 10.409 45.908 1.00737.35 C ATOM 50453 C4* C 02399 149.961 9.892 47.291 1.00737.35 C ATOM 50454 O4* C 02399 150.847 8.789 47.620 1.00737.35 O ATOM 50455 C3* C 02399 150.152 10.871 48.436 1.00737.35 C ATOM 50456 O3* C 02399 149.027 11.734 48.569 1.00737.35 O ATOM 50457 C2* C 02399 150.303 9.939 49.634 1.00737.35 C ATOM 50458 O2* C 02399 149.064 9.471 50.131 1.00737.35 O ATOM 50459 C1* C 02399 151.088 8.776 49.020 1.00737.35 C ATOM 50460 N1 C 02399 152.546 8.856 49.258 1.00737.35 N ATOM 50461 C2 C 02399 153.068 8.302 50.440 1.00737.35 C ATOM 50462 O2 C 02399 152.294 7.766 51.255 1.00737.35 O ATOM 50463 N3 C 02399 154.399 8.370 50.667 1.00737.35 N ATOM 50464 C4 C 02399 155.200 8.960 49.778 1.00737.35 C ATOM 50465 N4 C 02399 156.508 9.003 50.049 1.00737.35 N ATOM 50466 C5 C 02399 154.698 9.530 48.571 1.00737.35 C ATOM 50467 C6 C 02399 153.378 9.456 48.354 1.00737.35 C ATOM 50468 P G 02400 149.204 13.174 49.260 1.00737.35 P ATOM 50469 O1P G 02400 147.923 13.911 49.126 1.00737.35 O ATOM 50470 O2P G 02400 150.455 13.780 48.735 1.00737.35 O ATOM 50471 O5* G 02400 149.430 12.835 50.801 1.00737.35 O ATOM 50472 C5* G 02400 148.381 12.266 51.585 1.00737.35 C ATOM 50473 C4* G 02400 148.657 12.467 53.058 1.00737.35 C ATOM 50474 O4* G 02400 149.815 11.689 53.452 1.00737.35 O ATOM 50475 C3* G 02400 149.001 13.887 53.480 1.00737.35 C ATOM 50476 O3* G 02400 147.818 14.659 53.667 1.00737.35 O ATOM 50477 C2* G 02400 149.756 13.662 54.787 1.00737.35 C ATOM 50478 O2* G 02400 148.900 13.471 55.898 1.00737.35 O ATOM 50479 C1* G 02400 150.511 12.363 54.489 1.00737.35 C ATOM 50480 N9 G 02400 151.895 12.560 54.065 1.00737.35 N ATOM 50481 C8 G 02400 152.340 12.992 52.836 1.00737.35 C ATOM 50482 N7 G 02400 153.640 13.067 52.758 1.00737.35 N ATOM 50483 C5 G 02400 154.084 12.660 54.009 1.00737.35 C ATOM 50484 C6 G 02400 155.404 12.532 54.519 1.00737.35 C ATOM 50485 O6 G 02400 156.478 12.760 53.950 1.00737.35 O ATOM 50486 N1 G 02400 155.400 12.088 55.838 1.00737.35 N ATOM 50487 C2 G 02400 154.277 11.800 56.573 1.00737.35 C ATOM 50488 N2 G 02400 154.483 11.381 57.829 1.00737.35 N ATOM 50489 N3 G 02400 153.041 11.913 56.108 1.00737.35 N ATOM 50490 C4 G 02400 153.020 12.344 54.829 1.00737.35 C ATOM 50491 P A 02401 147.755 16.169 53.120 1.00737.35 P ATOM 50492 O1P A 02401 146.342 16.616 53.220 1.00737.35 O ATOM 50493 O2P A 02401 148.449 16.227 51.807 1.00737.35 O ATOM 50494 O5* A 02401 148.620 16.997 54.172 1.00737.35 O ATOM 50495 C5* A 02401 148.115 17.284 55.475 1.00737.35 C ATOM 50496 C4* A 02401 149.175 17.968 56.307 1.00737.35 C ATOM 50497 O4* A 02401 150.289 17.059 56.505 1.00737.35 O ATOM 50498 C3* A 02401 149.803 19.203 55.680 1.00737.35 C ATOM 50499 O3* A 02401 149.020 20.362 55.933 1.00737.35 O ATOM 50500 C2* A 02401 151.152 19.272 56.388 1.00737.35 C ATOM 50501 O2* A 02401 151.076 19.861 57.672 1.00737.35 O ATOM 50502 C1* A 02401 151.505 17.788 56.521 1.00737.35 C ATOM 50503 N9 A 02401 152.355 17.288 55.439 1.00737.35 N ATOM 50504 C8 A 02401 151.990 16.946 54.158 1.00737.35 C ATOM 50505 N7 A 02401 152.986 16.532 53.415 1.00737.35 N ATOM 50506 C5 A 02401 154.083 16.603 54.262 1.00737.35 C ATOM 50507 C6 A 02401 155.444 16.298 54.074 1.00737.35 C ATOM 50508 N6 A 02401 155.949 15.842 52.925 1.00737.35 N ATOM 50509 N1 A 02401 156.278 16.481 55.120 1.00737.35 N ATOM 50510 C2 A 02401 155.770 16.937 56.270 1.00737.35 C ATOM 50511 N3 A 02401 154.516 17.259 56.570 1.00737.35 N ATOM 50512 C4 A 02401 153.710 17.066 55.510 1.00737.35 C ATOM 50513 P U 02402 148.535 21.283 54.707 1.00737.35 P ATOM 50514 O1P U 02402 147.342 20.629 54.113 1.00737.35 O ATOM 50515 O2P U 02402 149.711 21.586 53.847 1.00737.35 O ATOM 50516 O5* U 02402 148.057 22.635 55.405 1.00737.35 O ATOM 50517 C5* U 02402 149.004 23.580 55.896 1.00737.35 C ATOM 50518 C4* U 02402 148.317 24.622 56.753 1.00737.35 C ATOM 50519 O4* U 02402 147.322 25.319 55.962 1.00737.35 O ATOM 50520 C3* U 02402 147.544 24.078 57.944 1.00737.35 C ATOM 50521 O3* U 02402 148.422 23.901 59.053 1.00737.35 O ATOM 50522 C2* U 02402 146.528 25.186 58.201 1.00737.35 C ATOM 50523 O2* U 02402 147.060 26.266 58.944 1.00737.35 O ATOM 50524 C1* U 02402 146.208 25.645 56.777 1.00737.35 C ATOM 50525 N1 U 02402 145.004 25.017 56.205 1.00737.35 N ATOM 50526 C2 U 02402 143.783 25.643 56.421 1.00737.35 C ATOM 50527 O2 U 02402 143.665 26.679 57.058 1.00737.35 O ATOM 50528 N3 U 02402 142.701 25.006 55.860 1.00737.35 N ATOM 50529 C4 U 02402 142.711 23.840 55.124 1.00737.35 C ATOM 50530 O4 U 02402 141.649 23.395 54.684 1.00737.35 O ATOM 50531 C5 U 02402 144.003 23.256 54.947 1.00737.35 C ATOM 50532 C6 U 02402 145.079 23.848 55.480 1.00737.35 C ATOM 50533 P C 02403 148.836 22.417 59.517 1.00737.35 P ATOM 50534 O1P C 02403 148.679 21.501 58.358 1.00737.35 O ATOM 50535 O2P C 02403 148.129 22.117 60.786 1.00737.35 O ATOM 50536 O5* C 02403 150.395 22.532 59.836 1.00737.35 O ATOM 50537 C5* C 02403 151.243 23.382 59.064 1.00737.35 C ATOM 50538 C4* C 02403 152.677 23.240 59.519 1.00737.35 C ATOM 50539 O4* C 02403 153.127 21.883 59.259 1.00737.35 O ATOM 50540 C3* C 02403 153.692 24.107 58.794 1.00737.35 C ATOM 50541 O3* C 02403 153.746 25.415 59.357 1.00737.35 O ATOM 50542 C2* C 02403 154.990 23.343 59.033 1.00737.35 C ATOM 50543 O2* C 02403 155.543 23.576 60.313 1.00737.35 O ATOM 50544 C1* C 02403 154.511 21.894 58.930 1.00737.35 C ATOM 50545 N1 C 02403 154.687 21.328 57.579 1.00737.35 N ATOM 50546 C2 C 02403 155.876 20.637 57.283 1.00737.35 C ATOM 50547 O2 C 02403 156.738 20.508 58.167 1.00737.35 O ATOM 50548 N3 C 02403 156.053 20.131 56.040 1.00737.35 N ATOM 50549 C4 C 02403 155.105 20.286 55.113 1.00737.35 C ATOM 50550 N4 C 02403 155.325 19.771 53.902 1.00737.35 N ATOM 50551 C5 C 02403 153.888 20.974 55.387 1.00737.35 C ATOM 50552 C6 C 02403 153.721 21.472 56.619 1.00737.35 C ATOM 50553 P A 02404 154.426 26.618 58.531 1.00737.35 P ATOM 50554 O1P A 02404 155.209 26.036 57.410 1.00737.35 O ATOM 50555 O2P A 02404 155.103 27.502 59.513 1.00737.35 O ATOM 50556 O5* A 02404 153.192 27.410 57.900 1.00737.35 O ATOM 50557 C5* A 02404 153.215 28.832 57.801 1.00737.35 C ATOM 50558 C4* A 02404 151.924 29.346 57.206 1.00737.35 C ATOM 50559 O4* A 02404 151.848 29.003 55.799 1.00737.35 O ATOM 50560 C3* A 02404 150.636 28.796 57.800 1.00737.35 C ATOM 50561 O3* A 02404 150.303 29.372 59.073 1.00737.35 O ATOM 50562 C2* A 02404 149.619 28.974 56.676 1.00737.35 C ATOM 50563 O2* A 02404 148.955 30.219 56.630 1.00737.35 O ATOM 50564 C1* A 02404 150.492 28.803 55.429 1.00737.35 C ATOM 50565 N9 A 02404 150.370 27.498 54.778 1.00737.35 N ATOM 50566 C8 A 02404 151.233 26.430 54.838 1.00737.35 C ATOM 50567 N7 A 02404 150.846 25.396 54.130 1.00737.35 N ATOM 50568 C5 A 02404 149.645 25.809 53.567 1.00737.35 C ATOM 50569 C6 A 02404 148.733 25.168 52.710 1.00737.35 C ATOM 50570 N6 A 02404 148.894 23.926 52.251 1.00737.35 N ATOM 50571 N1 A 02404 147.632 25.859 52.335 1.00737.35 N ATOM 50572 C2 A 02404 147.469 27.104 52.797 1.00737.35 C ATOM 50573 N3 A 02404 148.256 27.812 53.606 1.00737.35 N ATOM 50574 C4 A 02404 149.339 27.100 53.959 1.00737.35 C ATOM 50575 P A 02405 150.368 30.970 59.300 1.00737.35 P ATOM 50576 O1P A 02405 149.762 31.227 60.631 1.00737.35 O ATOM 50577 O2P A 02405 149.859 31.704 58.118 1.00737.35 O ATOM 50578 O5* A 02405 151.929 31.267 59.428 1.00737.35 O ATOM 50579 C5* A 02405 152.499 32.466 58.906 1.00737.35 C ATOM 50580 C4* A 02405 153.885 32.678 59.468 1.00737.35 C ATOM 50581 O4* A 02405 153.795 32.803 60.911 1.00737.35 O ATOM 50582 C3* A 02405 154.884 31.551 59.248 1.00737.35 C ATOM 50583 O3* A 02405 155.502 31.652 57.965 1.00737.35 O ATOM 50584 C2* A 02405 155.874 31.778 60.385 1.00737.35 C ATOM 50585 O2* A 02405 156.822 32.790 60.104 1.00737.35 O ATOM 50586 C1* A 02405 154.946 32.234 61.513 1.00737.35 C ATOM 50587 N9 A 02405 154.519 31.145 62.397 1.00737.35 N ATOM 50588 C8 A 02405 153.466 30.280 62.224 1.00737.35 C ATOM 50589 N7 A 02405 153.336 29.406 63.192 1.00737.35 N ATOM 50590 C5 A 02405 154.371 29.716 64.063 1.00737.35 C ATOM 50591 C6 A 02405 154.777 29.157 65.287 1.00737.35 C ATOM 50592 N6 A 02405 154.163 28.125 65.870 1.00737.35 N ATOM 50593 N1 A 02405 155.850 29.700 65.901 1.00737.35 N ATOM 50594 C2 A 02405 156.466 30.735 65.317 1.00737.35 C ATOM 50595 N3 A 02405 156.180 31.348 64.169 1.00737.35 N ATOM 50596 C4 A 02405 155.109 30.784 63.584 1.00737.35 C ATOM 50597 P C 02406 156.588 30.556 57.503 1.00737.35 P ATOM 50598 O1P C 02406 156.752 29.559 58.595 1.00737.35 O ATOM 50599 O2P C 02406 157.777 31.295 57.007 1.00737.35 O ATOM 50600 O5* C 02406 155.916 29.819 56.262 1.00737.35 O ATOM 50601 C5* C 02406 156.340 28.511 55.874 1.00737.35 C ATOM 50602 C4* C 02406 156.181 28.315 54.382 1.00737.35 C ATOM 50603 O4* C 02406 154.781 28.382 54.023 1.00737.35 O ATOM 50604 C3* C 02406 156.853 29.346 53.488 1.00737.35 C ATOM 50605 O3* C 02406 158.219 28.996 53.290 1.00737.35 O ATOM 50606 C2* C 02406 156.062 29.217 52.188 1.00737.35 C ATOM 50607 O2* C 02406 156.533 28.176 51.354 1.00737.35 O ATOM 50608 C1* C 02406 154.659 28.863 52.696 1.00737.35 C ATOM 50609 N1 C 02406 153.676 29.967 52.668 1.00737.35 N ATOM 50610 C2 C 02406 153.004 30.241 51.466 1.00737.35 C ATOM 50611 O2 C 02406 153.273 29.570 50.456 1.00737.35 O ATOM 50612 N3 C 02406 152.078 31.226 51.437 1.00737.35 N ATOM 50613 C4 C 02406 151.812 31.925 52.542 1.00737.35 C ATOM 50614 N4 C 02406 150.871 32.870 52.469 1.00737.35 N ATOM 50615 C5 C 02406 152.496 31.685 53.770 1.00737.35 C ATOM 50616 C6 C 02406 153.410 30.707 53.789 1.00737.35 C ATOM 50617 P G 02407 159.368 30.110 53.456 1.00737.35 P ATOM 50618 O1P G 02407 159.063 30.910 54.670 1.00737.35 O ATOM 50619 O2P G 02407 159.535 30.798 52.150 1.00737.35 O ATOM 50620 O5* G 02407 160.687 29.261 53.742 1.00737.35 O ATOM 50621 C5* G 02407 160.618 28.025 54.456 1.00737.35 C ATOM 50622 C4* G 02407 161.983 27.637 54.985 1.00737.35 C ATOM 50623 O4* G 02407 162.894 27.426 53.878 1.00737.35 O ATOM 50624 C3* G 02407 162.679 28.671 55.854 1.00737.35 C ATOM 50625 O3* G 02407 162.227 28.570 57.203 1.00737.35 O ATOM 50626 C2* G 02407 164.145 28.269 55.722 1.00737.35 C ATOM 50627 O2* G 02407 164.513 27.211 56.585 1.00737.35 O ATOM 50628 C1* G 02407 164.206 27.790 54.268 1.00737.35 C ATOM 50629 N9 G 02407 164.712 28.785 53.326 1.00737.35 N ATOM 50630 C8 G 02407 164.038 29.872 52.820 1.00737.35 C ATOM 50631 N7 G 02407 164.753 30.578 51.988 1.00737.35 N ATOM 50632 C5 G 02407 165.974 29.917 51.938 1.00737.35 C ATOM 50633 C6 G 02407 167.149 30.214 51.202 1.00737.35 C ATOM 50634 O6 G 02407 167.354 31.149 50.418 1.00737.35 O ATOM 50635 N1 G 02407 168.155 29.285 51.448 1.00737.35 N ATOM 50636 C2 G 02407 168.048 28.208 52.292 1.00737.35 C ATOM 50637 N2 G 02407 169.132 27.427 52.395 1.00737.35 N ATOM 50638 N3 G 02407 166.958 27.920 52.985 1.00737.35 N ATOM 50639 C4 G 02407 165.966 28.811 52.761 1.00737.35 C ATOM 50640 P G 02408 161.255 29.701 57.806 1.00737.35 P ATOM 50641 O1P G 02408 160.028 29.717 56.969 1.00737.35 O ATOM 50642 O2P G 02408 162.036 30.950 57.975 1.00737.35 O ATOM 50643 O5* G 02408 160.847 29.169 59.253 1.00737.35 O ATOM 50644 C5* G 02408 160.982 27.791 59.609 1.00737.35 C ATOM 50645 C4* G 02408 159.760 27.016 59.171 1.00737.35 C ATOM 50646 O4* G 02408 159.716 27.002 57.719 1.00737.35 O ATOM 50647 C3* G 02408 159.744 25.547 59.565 1.00737.35 C ATOM 50648 O3* G 02408 159.188 25.390 60.869 1.00737.35 O ATOM 50649 C2* G 02408 158.846 24.932 58.498 1.00737.35 C ATOM 50650 O2* G 02408 157.468 25.109 58.766 1.00737.35 O ATOM 50651 C1* G 02408 159.238 25.748 57.263 1.00737.35 C ATOM 50652 N9 G 02408 160.280 25.131 56.447 1.00737.35 N ATOM 50653 C8 G 02408 161.544 24.762 56.845 1.00737.35 C ATOM 50654 N7 G 02408 162.254 24.243 55.881 1.00737.35 N ATOM 50655 C5 G 02408 161.410 24.267 54.778 1.00737.35 C ATOM 50656 C6 G 02408 161.631 23.842 53.443 1.00737.35 C ATOM 50657 O6 G 02408 162.647 23.339 52.952 1.00737.35 O ATOM 50658 N1 G 02408 160.509 24.056 52.649 1.00737.35 N ATOM 50659 C2 G 02408 159.327 24.606 53.079 1.00737.35 C ATOM 50660 N2 G 02408 158.361 24.729 52.159 1.00737.35 N ATOM 50661 N3 G 02408 159.110 25.006 54.320 1.00737.35 N ATOM 50662 C4 G 02408 160.187 24.809 55.112 1.00737.35 C ATOM 50663 P A 02409 159.524 24.076 61.734 1.00737.35 P ATOM 50664 O1P A 02409 159.472 22.905 60.820 1.00737.35 O ATOM 50665 O2P A 02409 158.661 24.100 62.942 1.00737.35 O ATOM 50666 O5* A 02409 161.031 24.290 62.206 1.00737.35 O ATOM 50667 C5* A 02409 162.128 23.936 61.364 1.00737.35 C ATOM 50668 C4* A 02409 163.285 23.435 62.201 1.00737.35 C ATOM 50669 O4* A 02409 163.731 24.500 63.081 1.00737.35 O ATOM 50670 C3* A 02409 162.958 22.281 63.134 1.00737.35 C ATOM 50671 O3* A 02409 163.063 21.033 62.457 1.00737.35 O ATOM 50672 C2* A 02409 164.016 22.434 64.220 1.00737.35 C ATOM 50673 O2* A 02409 165.273 21.899 63.853 1.00737.35 O ATOM 50674 C1* A 02409 164.114 23.957 64.334 1.00737.35 C ATOM 50675 N9 A 02409 163.239 24.527 65.363 1.00737.35 N ATOM 50676 C8 A 02409 161.865 24.585 65.365 1.00737.35 C ATOM 50677 N7 A 02409 161.362 25.160 66.428 1.00737.35 N ATOM 50678 C5 A 02409 162.477 25.505 67.178 1.00737.35 C ATOM 50679 C6 A 02409 162.616 26.151 68.420 1.00737.35 C ATOM 50680 N6 A 02409 161.586 26.581 69.151 1.00737.35 N ATOM 50681 N1 A 02409 163.868 26.342 68.890 1.00737.35 N ATOM 50682 C2 A 02409 164.901 25.913 68.155 1.00737.35 C ATOM 50683 N3 A 02409 164.898 25.296 66.976 1.00737.35 N ATOM 50684 C4 A 02409 163.640 25.118 66.536 1.00737.35 C ATOM 50685 P U 02410 161.837 19.993 62.504 1.00737.35 P ATOM 50686 O1P U 02410 162.250 18.791 61.735 1.00737.35 O ATOM 50687 O2P U 02410 160.595 20.716 62.121 1.00737.35 O ATOM 50688 O5* U 02410 161.722 19.594 64.043 1.00737.35 O ATOM 50689 C5* U 02410 162.649 18.689 64.638 1.00737.35 C ATOM 50690 C4* U 02410 162.040 18.039 65.859 1.00737.35 C ATOM 50691 O4* U 02410 161.805 19.046 66.878 1.00737.35 O ATOM 50692 C3* U 02410 160.679 17.391 65.653 1.00737.35 C ATOM 50693 O3* U 02410 160.813 16.074 65.124 1.00737.35 O ATOM 50694 C2* U 02410 160.108 17.388 67.066 1.00737.35 C ATOM 50695 O2* U 02410 160.598 16.326 67.860 1.00737.35 O ATOM 50696 C1* U 02410 160.629 18.723 67.607 1.00737.35 C ATOM 50697 N1 U 02410 159.670 19.831 67.476 1.00737.35 N ATOM 50698 C2 U 02410 158.777 20.041 68.519 1.00737.35 C ATOM 50699 O2 U 02410 158.757 19.358 69.530 1.00737.35 O ATOM 50700 N3 U 02410 157.906 21.088 68.331 1.00737.35 N ATOM 50701 C4 U 02410 157.834 21.926 67.239 1.00737.35 C ATOM 50702 O4 U 02410 156.992 22.824 67.220 1.00737.35 O ATOM 50703 C5 U 02410 158.785 21.647 66.208 1.00737.35 C ATOM 50704 C6 U 02410 159.648 20.635 66.356 1.00737.35 C ATOM 50705 P A 02411 159.738 15.530 64.057 1.00737.35 P ATOM 50706 O1P A 02411 160.344 14.362 63.373 1.00737.35 O ATOM 50707 O2P A 02411 159.245 16.677 63.249 1.00737.35 O ATOM 50708 O5* A 02411 158.532 15.000 64.955 1.00737.35 O ATOM 50709 C5* A 02411 157.360 14.453 64.353 1.00737.35 C ATOM 50710 C4* A 02411 156.279 14.248 65.389 1.00737.35 C ATOM 50711 O4* A 02411 156.696 13.230 66.336 1.00737.35 O ATOM 50712 C3* A 02411 155.949 15.454 66.254 1.00737.35 C ATOM 50713 O3* A 02411 155.035 16.320 65.588 1.00737.35 O ATOM 50714 C2* A 02411 155.332 14.807 67.489 1.00737.35 C ATOM 50715 O2* A 02411 153.972 14.462 67.316 1.00737.35 O ATOM 50716 C1* A 02411 156.175 13.534 67.620 1.00737.35 C ATOM 50717 N9 A 02411 157.293 13.660 68.558 1.00737.35 N ATOM 50718 C8 A 02411 158.577 14.068 68.294 1.00737.35 C ATOM 50719 N7 A 02411 159.359 14.074 69.347 1.00737.35 N ATOM 50720 C5 A 02411 158.534 13.641 70.377 1.00737.35 C ATOM 50721 C6 A 02411 158.764 13.431 71.747 1.00737.35 C ATOM 50722 N6 A 02411 159.942 13.639 72.340 1.00737.35 N ATOM 50723 N1 A 02411 157.729 12.997 72.497 1.00737.35 N ATOM 50724 C2 A 02411 156.548 12.790 71.901 1.00737.35 C ATOM 50725 N3 A 02411 156.209 12.949 70.624 1.00737.35 N ATOM 50726 C4 A 02411 157.260 13.384 69.904 1.00737.35 C ATOM 50727 P A 02412 155.107 17.906 65.838 1.00737.35 P ATOM 50728 O1P A 02412 154.338 18.557 64.745 1.00737.35 O ATOM 50729 O2P A 02412 156.523 18.291 66.069 1.00737.35 O ATOM 50730 O5* A 02412 154.310 18.117 67.202 1.00737.35 O ATOM 50731 C5* A 02412 152.890 17.977 67.250 1.00737.35 C ATOM 50732 C4* A 02412 152.393 18.148 68.667 1.00737.35 C ATOM 50733 O4* A 02412 152.932 17.083 69.496 1.00737.35 O ATOM 50734 C3* A 02412 152.816 19.428 69.372 1.00737.35 C ATOM 50735 O3* A 02412 151.929 20.495 69.043 1.00737.35 O ATOM 50736 C2* A 02412 152.726 19.037 70.841 1.00737.35 C ATOM 50737 O2* A 02412 151.411 19.102 71.354 1.00737.35 O ATOM 50738 C1* A 02412 153.192 17.577 70.799 1.00737.35 C ATOM 50739 N9 A 02412 154.617 17.396 71.081 1.00737.35 N ATOM 50740 C8 A 02412 155.687 17.701 70.275 1.00737.35 C ATOM 50741 N7 A 02412 156.850 17.416 70.808 1.00737.35 N ATOM 50742 C5 A 02412 156.528 16.890 72.049 1.00737.35 C ATOM 50743 C6 A 02412 157.318 16.394 73.103 1.00737.35 C ATOM 50744 N6 A 02412 158.653 16.350 73.069 1.00737.35 N ATOM 50745 N1 A 02412 156.683 15.941 74.206 1.00737.35 N ATOM 50746 C2 A 02412 155.345 15.988 74.239 1.00737.35 C ATOM 50747 N3 A 02412 154.493 16.428 73.316 1.00737.35 N ATOM 50748 C4 A 02412 155.156 16.872 72.234 1.00737.35 C ATOM 50749 P A 02413 152.464 22.014 69.034 1.00737.35 P ATOM 50750 O1P A 02413 151.525 22.800 68.194 1.00737.35 O ATOM 50751 O2P A 02413 153.913 22.010 68.702 1.00737.35 O ATOM 50752 O5* A 02413 152.300 22.495 70.542 1.00737.35 O ATOM 50753 C5* A 02413 151.043 22.398 71.211 1.00737.35 C ATOM 50754 C4* A 02413 151.170 22.869 72.641 1.00737.35 C ATOM 50755 O4* A 02413 152.194 22.085 73.310 1.00737.35 O ATOM 50756 C3* A 02413 151.618 24.310 72.835 1.00737.35 C ATOM 50757 O3* A 02413 150.508 25.203 72.780 1.00737.35 O ATOM 50758 C2* A 02413 152.225 24.275 74.232 1.00737.35 C ATOM 50759 O2* A 02413 151.258 24.353 75.261 1.00737.35 O ATOM 50760 C1* A 02413 152.881 22.894 74.246 1.00737.35 C ATOM 50761 N9 A 02413 154.302 22.919 73.890 1.00737.35 N ATOM 50762 C8 A 02413 154.867 22.898 72.636 1.00737.35 C ATOM 50763 N7 A 02413 156.177 22.932 72.647 1.00737.35 N ATOM 50764 C5 A 02413 156.498 22.979 73.996 1.00737.35 C ATOM 50765 C6 A 02413 157.729 23.030 74.673 1.00737.35 C ATOM 50766 N6 A 02413 158.914 23.039 74.059 1.00737.35 N ATOM 50767 N1 A 02413 157.702 23.067 76.023 1.00737.35 N ATOM 50768 C2 A 02413 156.515 23.053 76.639 1.00737.35 C ATOM 50769 N3 A 02413 155.292 23.008 76.115 1.00737.35 N ATOM 50770 C4 A 02413 155.355 22.972 74.773 1.00737.35 C ATOM 50771 P A 02414 150.750 26.765 72.468 1.00737.35 P ATOM 50772 O1P A 02414 150.420 26.979 71.036 1.00737.35 O ATOM 50773 O2P A 02414 152.088 27.157 72.980 1.00737.35 O ATOM 50774 O5* A 02414 149.641 27.505 73.341 1.00737.35 O ATOM 50775 C5* A 02414 149.790 28.873 73.713 1.00737.35 C ATOM 50776 C4* A 02414 148.648 29.301 74.607 1.00737.35 C ATOM 50777 O4* A 02414 148.580 28.419 75.758 1.00737.35 O ATOM 50778 C3* A 02414 148.772 30.692 75.209 1.00737.35 C ATOM 50779 O3* A 02414 148.299 31.688 74.306 1.00737.35 O ATOM 50780 C2* A 02414 147.890 30.591 76.447 1.00737.35 C ATOM 50781 O2* A 02414 146.515 30.759 76.166 1.00737.35 O ATOM 50782 C1* A 02414 148.155 29.151 76.897 1.00737.35 C ATOM 50783 N9 A 02414 149.179 29.034 77.940 1.00737.35 N ATOM 50784 C8 A 02414 150.495 28.662 77.801 1.00737.35 C ATOM 50785 N7 A 02414 151.159 28.644 78.932 1.00737.35 N ATOM 50786 C5 A 02414 150.221 29.031 79.878 1.00737.35 C ATOM 50787 C6 A 02414 150.300 29.207 81.272 1.00737.35 C ATOM 50788 N6 A 02414 151.411 28.997 81.986 1.00737.35 N ATOM 50789 N1 A 02414 149.183 29.605 81.918 1.00737.35 N ATOM 50790 C2 A 02414 148.069 29.807 81.206 1.00737.35 C ATOM 50791 N3 A 02414 147.868 29.672 79.896 1.00737.35 N ATOM 50792 C4 A 02414 148.998 29.279 79.282 1.00737.35 C ATOM 50793 P G 02415 148.815 33.204 74.446 1.00737.35 P ATOM 50794 O1P G 02415 148.059 34.020 73.461 1.00737.35 O ATOM 50795 O2P G 02415 150.299 33.204 74.412 1.00737.35 O ATOM 50796 O5* G 02415 148.344 33.634 75.906 1.00737.35 O ATOM 50797 C5* G 02415 148.952 34.734 76.579 1.00737.35 C ATOM 50798 C4* G 02415 148.260 34.984 77.900 1.00737.35 C ATOM 50799 O4* G 02415 148.272 33.764 78.689 1.00737.35 O ATOM 50800 C3* G 02415 148.928 36.016 78.795 1.00737.35 C ATOM 50801 O3* G 02415 148.517 37.335 78.444 1.00737.35 O ATOM 50802 C2* G 02415 148.434 35.611 80.179 1.00737.35 C ATOM 50803 O2* G 02415 147.132 36.079 80.463 1.00737.35 O ATOM 50804 C1* G 02415 148.425 34.085 80.063 1.00737.35 C ATOM 50805 N9 G 02415 149.649 33.454 80.553 1.00737.35 N ATOM 50806 C8 G 02415 150.705 32.988 79.805 1.00737.35 C ATOM 50807 N7 G 02415 151.659 32.470 80.531 1.00737.35 N ATOM 50808 C5 G 02415 151.208 32.599 81.838 1.00737.35 C ATOM 50809 C6 G 02415 151.814 32.215 83.062 1.00737.35 C ATOM 50810 O6 G 02415 152.909 31.665 83.243 1.00737.35 O ATOM 50811 N1 G 02415 151.012 32.535 84.153 1.00737.35 N ATOM 50812 C2 G 02415 149.785 33.144 84.078 1.00737.35 C ATOM 50813 N2 G 02415 149.166 33.369 85.246 1.00737.35 N ATOM 50814 N3 G 02415 149.207 33.506 82.944 1.00737.35 N ATOM 50815 C4 G 02415 149.969 33.205 81.871 1.00737.35 C ATOM 50816 P U 02416 149.503 38.575 78.716 1.00737.35 P ATOM 50817 O1P U 02416 148.813 39.801 78.242 1.00737.35 O ATOM 50818 O2P U 02416 150.845 38.237 78.180 1.00737.35 O ATOM 50819 O5* U 02416 149.604 38.640 80.305 1.00737.35 O ATOM 50820 C5* U 02416 148.464 38.959 81.099 1.00737.35 C ATOM 50821 C4* U 02416 148.781 38.787 82.568 1.00737.35 C ATOM 50822 O4* U 02416 149.070 37.390 82.841 1.00737.35 O ATOM 50823 C3* U 02416 150.010 39.526 83.070 1.00737.35 C ATOM 50824 O3* U 02416 149.707 40.881 83.382 1.00737.35 O ATOM 50825 C2* U 02416 150.389 38.719 84.306 1.00737.35 C ATOM 50826 O2* U 02416 149.613 39.043 85.442 1.00737.35 O ATOM 50827 C1* U 02416 150.067 37.294 83.846 1.00737.35 C ATOM 50828 N1 U 02416 151.231 36.581 83.294 1.00737.35 N ATOM 50829 C2 U 02416 152.042 35.880 84.179 1.00737.35 C ATOM 50830 O2 U 02416 151.828 35.826 85.380 1.00737.35 O ATOM 50831 N3 U 02416 153.112 35.243 83.601 1.00737.35 N ATOM 50832 C4 U 02416 153.453 35.231 82.262 1.00737.35 C ATOM 50833 O4 U 02416 154.451 34.609 81.899 1.00737.35 O ATOM 50834 C5 U 02416 152.570 35.972 81.417 1.00737.35 C ATOM 50835 C6 U 02416 151.517 36.605 81.945 1.00737.35 C ATOM 50836 P U 02417 150.870 41.989 83.330 1.00737.35 P ATOM 50837 O1P U 02417 150.231 43.311 83.561 1.00737.35 O ATOM 50838 O2P U 02417 151.681 41.771 82.105 1.00737.35 O ATOM 50839 O5* U 02417 151.779 41.645 84.595 1.00737.35 O ATOM 50840 C5* U 02417 151.294 41.853 85.921 1.00737.35 C ATOM 50841 C4* U 02417 152.336 41.444 86.936 1.00737.35 C ATOM 50842 O4* U 02417 152.543 40.011 86.877 1.00737.35 O ATOM 50843 C3* U 02417 153.727 42.027 86.733 1.00737.35 C ATOM 50844 O3* U 02417 153.809 43.335 87.286 1.00737.35 O ATOM 50845 C2* U 02417 154.604 41.039 87.498 1.00737.35 C ATOM 50846 O2* U 02417 154.643 41.289 88.889 1.00737.35 O ATOM 50847 C1* U 02417 153.883 39.713 87.235 1.00737.35 C ATOM 50848 N1 U 02417 154.497 38.900 86.172 1.00737.35 N ATOM 50849 C2 U 02417 155.509 38.023 86.536 1.00737.35 C ATOM 50850 O2 U 02417 155.904 37.903 87.685 1.00737.35 O ATOM 50851 N3 U 02417 156.043 37.292 85.506 1.00737.35 N ATOM 50852 C4 U 02417 155.685 37.340 84.175 1.00737.35 C ATOM 50853 O4 U 02417 156.263 36.610 83.368 1.00737.35 O ATOM 50854 C5 U 02417 154.635 38.267 83.875 1.00737.35 C ATOM 50855 C6 U 02417 154.091 38.996 84.855 1.00737.35 C ATOM 50856 P A 02418 154.393 44.539 86.396 1.00737.35 P ATOM 50857 O1P A 02418 153.469 44.736 85.251 1.00737.35 O ATOM 50858 O2P A 02418 155.834 44.281 86.141 1.00737.35 O ATOM 50859 O5* A 02418 154.271 45.811 87.347 1.00737.35 O ATOM 50860 C5* A 02418 155.039 45.910 88.545 1.00737.35 C ATOM 50861 C4* A 02418 154.243 46.603 89.624 1.00737.35 C ATOM 50862 O4* A 02418 153.896 47.940 89.178 1.00737.35 O ATOM 50863 C3* A 02418 152.907 45.965 89.977 1.00737.35 C ATOM 50864 O3* A 02418 153.075 44.925 90.935 1.00737.35 O ATOM 50865 C2* A 02418 152.130 47.142 90.560 1.00737.35 C ATOM 50866 O2* A 02418 152.449 47.402 91.911 1.00737.35 O ATOM 50867 C1* A 02418 152.617 48.295 89.680 1.00737.35 C ATOM 50868 N9 A 02418 151.735 48.578 88.547 1.00737.35 N ATOM 50869 C8 A 02418 151.749 48.011 87.296 1.00737.35 C ATOM 50870 N7 A 02418 150.819 48.471 86.494 1.00737.35 N ATOM 50871 C5 A 02418 150.148 49.407 87.269 1.00737.35 C ATOM 50872 C6 A 02418 149.054 50.249 87.000 1.00737.35 C ATOM 50873 N6 A 02418 148.417 50.284 85.826 1.00737.35 N ATOM 50874 N1 A 02418 148.627 51.065 87.989 1.00737.35 N ATOM 50875 C2 A 02418 149.264 51.027 89.166 1.00737.35 C ATOM 50876 N3 A 02418 150.303 50.284 89.540 1.00737.35 N ATOM 50877 C4 A 02418 150.701 49.485 88.535 1.00737.35 C ATOM 50878 P C 02419 152.104 43.645 90.904 1.00737.35 P ATOM 50879 O1P C 02419 152.455 42.851 89.698 1.00737.35 O ATOM 50880 O2P C 02419 150.706 44.108 91.097 1.00737.35 O ATOM 50881 O5* C 02419 152.536 42.804 92.188 1.00737.35 O ATOM 50882 C5* C 02419 152.379 43.337 93.500 1.00737.35 C ATOM 50883 C4* C 02419 153.556 42.958 94.370 1.00737.35 C ATOM 50884 O4* C 02419 153.588 41.516 94.541 1.00737.35 O ATOM 50885 C3* C 02419 154.925 43.293 93.801 1.00737.35 C ATOM 50886 O3* C 02419 155.283 44.648 94.056 1.00737.35 O ATOM 50887 C2* C 02419 155.829 42.317 94.544 1.00737.35 C ATOM 50888 O2* C 02419 156.164 42.749 95.850 1.00737.35 O ATOM 50889 C1* C 02419 154.937 41.076 94.619 1.00737.35 C ATOM 50890 N1 C 02419 155.186 40.103 93.534 1.00737.35 N ATOM 50891 C2 C 02419 156.220 39.162 93.690 1.00737.35 C ATOM 50892 O2 C 02419 156.899 39.175 94.731 1.00737.35 O ATOM 50893 N3 C 02419 156.453 38.268 92.703 1.00737.35 N ATOM 50894 C4 C 02419 155.706 38.284 91.597 1.00737.35 C ATOM 50895 N4 C 02419 155.971 37.381 90.649 1.00737.35 N ATOM 50896 C5 C 02419 154.652 39.226 91.410 1.00737.35 C ATOM 50897 C6 C 02419 154.429 40.107 92.394 1.00737.35 C ATOM 50898 P C 02420 156.315 45.398 93.074 1.00737.35 P ATOM 50899 O1P C 02420 157.508 45.748 93.891 1.00737.35 O ATOM 50900 O2P C 02420 155.580 46.468 92.356 1.00737.35 O ATOM 50901 O5* C 02420 156.733 44.278 92.016 1.00737.35 O ATOM 50902 C5* C 02420 158.053 44.224 91.487 1.00737.35 C ATOM 50903 C4* C 02420 158.736 42.947 91.919 1.00737.35 C ATOM 50904 O4* C 02420 158.014 41.803 91.391 1.00737.35 O ATOM 50905 C3* C 02420 160.150 42.760 91.397 1.00737.35 C ATOM 50906 O3* C 02420 161.082 43.458 92.217 1.00737.35 O ATOM 50907 C2* C 02420 160.326 41.249 91.484 1.00737.35 C ATOM 50908 O2* C 02420 160.644 40.797 92.788 1.00737.35 O ATOM 50909 C1* C 02420 158.931 40.758 91.090 1.00737.35 C ATOM 50910 N1 C 02420 158.812 40.411 89.658 1.00737.35 N ATOM 50911 C2 C 02420 159.232 39.136 89.234 1.00737.35 C ATOM 50912 O2 C 02420 159.684 38.334 90.071 1.00737.35 O ATOM 50913 N3 C 02420 159.129 38.811 87.925 1.00737.35 N ATOM 50914 C4 C 02420 158.638 39.694 87.052 1.00737.35 C ATOM 50915 N4 C 02420 158.560 39.329 85.771 1.00737.35 N ATOM 50916 C5 C 02420 158.208 40.992 87.453 1.00737.35 C ATOM 50917 C6 C 02420 158.310 41.305 88.753 1.00737.35 C ATOM 50918 P C 02421 162.336 44.199 91.540 1.00737.35 P ATOM 50919 O1P C 02421 162.941 45.084 92.569 1.00737.35 O ATOM 50920 O2P C 02421 161.895 44.775 90.245 1.00737.35 O ATOM 50921 O5* C 02421 163.358 43.015 91.231 1.00737.35 O ATOM 50922 C5* C 02421 164.039 42.344 92.284 1.00737.35 C ATOM 50923 C4* C 02421 164.915 41.246 91.727 1.00737.35 C ATOM 50924 O4* C 02421 164.083 40.223 91.120 1.00737.35 O ATOM 50925 C3* C 02421 165.862 41.660 90.612 1.00737.35 C ATOM 50926 O3* C 02421 167.051 42.253 91.129 1.00737.35 O ATOM 50927 C2* C 02421 166.131 40.332 89.913 1.00737.35 C ATOM 50928 O2* C 02421 167.085 39.534 90.585 1.00737.35 O ATOM 50929 C1* C 02421 164.755 39.669 89.995 1.00737.35 C ATOM 50930 N1 C 02421 163.928 39.888 88.789 1.00737.35 N ATOM 50931 C2 C 02421 164.096 39.031 87.689 1.00737.35 C ATOM 50932 O2 C 02421 164.924 38.107 87.761 1.00737.35 O ATOM 50933 N3 C 02421 163.350 39.229 86.578 1.00737.35 N ATOM 50934 C4 C 02421 162.468 40.229 86.536 1.00737.35 C ATOM 50935 N4 C 02421 161.756 40.387 85.416 1.00737.35 N ATOM 50936 C5 C 02421 162.276 41.114 87.637 1.00737.35 C ATOM 50937 C6 C 02421 163.018 40.910 88.733 1.00737.35 C ATOM 50938 P C 02422 167.918 43.239 90.200 1.00737.35 P ATOM 50939 O1P C 02422 168.995 43.810 91.050 1.00737.35 O ATOM 50940 O2P C 02422 166.995 44.151 89.478 1.00737.35 O ATOM 50941 O5* C 02422 168.590 42.264 89.134 1.00737.35 O ATOM 50942 C5* C 02422 169.414 41.182 89.562 1.00737.35 C ATOM 50943 C4* C 02422 169.920 40.396 88.372 1.00737.35 C ATOM 50944 O4* C 02422 168.808 39.776 87.676 1.00737.35 O ATOM 50945 C3* C 02422 170.627 41.190 87.289 1.00737.35 C ATOM 50946 O3* C 02422 171.985 41.435 87.645 1.00737.35 O ATOM 50947 C2* C 02422 170.521 40.253 86.089 1.00737.35 C ATOM 50948 O2* C 02422 171.513 39.249 86.094 1.00737.35 O ATOM 50949 C1* C 02422 169.147 39.613 86.307 1.00737.35 C ATOM 50950 N1 C 02422 168.070 40.178 85.464 1.00737.35 N ATOM 50951 C2 C 02422 167.948 39.731 84.133 1.00737.35 C ATOM 50952 O2 C 02422 168.751 38.885 83.700 1.00737.35 O ATOM 50953 N3 C 02422 166.962 40.231 83.356 1.00737.35 N ATOM 50954 C4 C 02422 166.119 41.138 83.849 1.00737.35 C ATOM 50955 N4 C 02422 165.158 41.597 83.040 1.00737.35 N ATOM 50956 C5 C 02422 166.221 41.616 85.189 1.00737.35 C ATOM 50957 C6 C 02422 167.200 41.114 85.952 1.00737.35 C ATOM 50958 P G 02423 172.789 42.638 86.945 1.00737.35 P ATOM 50959 O1P G 02423 174.125 42.712 87.592 1.00737.35 O ATOM 50960 O2P G 02423 171.919 43.843 86.927 1.00737.35 O ATOM 50961 O5* G 02423 172.985 42.144 85.442 1.00737.35 O ATOM 50962 C5* G 02423 173.871 41.069 85.132 1.00737.35 C ATOM 50963 C4* G 02423 173.832 40.768 83.651 1.00737.35 C ATOM 50964 O4* G 02423 172.520 40.261 83.295 1.00737.35 O ATOM 50965 C3* G 02423 174.041 41.965 82.737 1.00737.35 C ATOM 50966 O3* G 02423 175.429 42.215 82.542 1.00737.35 O ATOM 50967 C2* G 02423 173.352 41.521 81.451 1.00737.35 C ATOM 50968 O2* G 02423 174.158 40.684 80.647 1.00737.35 O ATOM 50969 C1* G 02423 172.167 40.717 81.999 1.00737.35 C ATOM 50970 N9 G 02423 170.921 41.475 82.097 1.00737.35 N ATOM 50971 C8 G 02423 170.325 41.952 83.240 1.00737.35 C ATOM 50972 N7 G 02423 169.198 42.570 83.013 1.00737.35 N ATOM 50973 C5 G 02423 169.040 42.506 81.636 1.00737.35 C ATOM 50974 C6 G 02423 168.003 43.002 80.807 1.00737.35 C ATOM 50975 O6 G 02423 166.975 43.608 81.137 1.00737.35 O ATOM 50976 N1 G 02423 168.247 42.725 79.465 1.00737.35 N ATOM 50977 C2 G 02423 169.341 42.054 78.981 1.00737.35 C ATOM 50978 N2 G 02423 169.398 41.893 77.650 1.00737.35 N ATOM 50979 N3 G 02423 170.313 41.579 79.745 1.00737.35 N ATOM 50980 C4 G 02423 170.099 41.839 81.052 1.00737.35 C ATOM 50981 P G 02424 175.946 43.722 82.335 1.00737.35 P ATOM 50982 O1P G 02424 177.425 43.670 82.221 1.00737.35 O ATOM 50983 O2P G 02424 175.321 44.579 83.377 1.00737.35 O ATOM 50984 O5* G 02424 175.355 44.136 80.916 1.00737.35 O ATOM 50985 C5* G 02424 175.174 45.506 80.563 1.00737.35 C ATOM 50986 C4* G 02424 174.477 45.610 79.229 1.00737.35 C ATOM 50987 O4* G 02424 173.258 44.827 79.259 1.00737.35 O ATOM 50988 C3* G 02424 174.029 47.008 78.836 1.00737.35 C ATOM 50989 O3* G 02424 175.092 47.717 78.204 1.00737.35 O ATOM 50990 C2* G 02424 172.881 46.723 77.874 1.00737.35 C ATOM 50991 O2* G 02424 173.318 46.422 76.564 1.00737.35 O ATOM 50992 C1* G 02424 172.252 45.478 78.507 1.00737.35 C ATOM 50993 N9 G 02424 171.119 45.762 79.387 1.00737.35 N ATOM 50994 C8 G 02424 171.132 45.826 80.761 1.00737.35 C ATOM 50995 N7 G 02424 169.959 46.084 81.272 1.00737.35 N ATOM 50996 C5 G 02424 169.121 46.201 80.171 1.00737.35 C ATOM 50997 C6 G 02424 167.732 46.472 80.100 1.00737.35 C ATOM 50998 O6 G 02424 166.933 46.667 81.027 1.00737.35 O ATOM 50999 N1 G 02424 167.285 46.505 78.783 1.00737.35 N ATOM 51000 C2 G 02424 168.072 46.304 77.675 1.00737.35 C ATOM 51001 N2 G 02424 167.454 46.385 76.487 1.00737.35 N ATOM 51002 N3 G 02424 169.368 46.044 77.729 1.00737.35 N ATOM 51003 C4 G 02424 169.823 46.010 78.999 1.00737.35 C ATOM 51004 P G 02425 175.137 49.324 78.279 1.00737.35 P ATOM 51005 O1P G 02425 176.406 49.758 77.639 1.00737.35 O ATOM 51006 O2P G 02425 174.839 49.742 79.671 1.00737.35 O ATOM 51007 O5* G 02425 173.928 49.790 77.349 1.00737.35 O ATOM 51008 C5* G 02425 173.884 49.439 75.967 1.00737.35 C ATOM 51009 C4* G 02425 172.489 49.633 75.422 1.00737.35 C ATOM 51010 O4* G 02425 171.573 48.773 76.150 1.00737.35 O ATOM 51011 C3* G 02425 171.915 51.033 75.579 1.00737.35 C ATOM 51012 O3* G 02425 172.303 51.857 74.484 1.00737.35 O ATOM 51013 C2* G 02425 170.412 50.769 75.593 1.00737.35 C ATOM 51014 O2* G 02425 169.869 50.594 74.298 1.00737.35 O ATOM 51015 C1* G 02425 170.343 49.447 76.361 1.00737.35 C ATOM 51016 N9 G 02425 170.151 49.611 77.800 1.00737.35 N ATOM 51017 C8 G 02425 171.125 49.773 78.756 1.00737.35 C ATOM 51018 N7 G 02425 170.647 49.881 79.965 1.00737.35 N ATOM 51019 C5 G 02425 169.271 49.788 79.800 1.00737.35 C ATOM 51020 C6 G 02425 168.226 49.836 80.759 1.00737.35 C ATOM 51021 O6 G 02425 168.309 49.975 81.985 1.00737.35 O ATOM 51022 N1 G 02425 166.978 49.701 80.159 1.00737.35 N ATOM 51023 C2 G 02425 166.760 49.543 78.812 1.00737.35 C ATOM 51024 N2 G 02425 165.481 49.437 78.430 1.00737.35 N ATOM 51025 N3 G 02425 167.726 49.493 77.909 1.00737.35 N ATOM 51026 C4 G 02425 168.948 49.622 78.470 1.00737.35 C ATOM 51027 P G 02426 172.375 53.455 74.669 1.00737.35 P ATOM 51028 O1P G 02426 173.041 54.006 73.461 1.00737.35 O ATOM 51029 O2P G 02426 172.932 53.756 76.013 1.00737.35 O ATOM 51030 O5* G 02426 170.850 53.917 74.648 1.00737.35 O ATOM 51031 C5* G 02426 169.992 53.572 73.560 1.00737.35 C ATOM 51032 C4* G 02426 169.154 54.760 73.155 1.00737.35 C ATOM 51033 O4* G 02426 168.291 55.146 74.254 1.00737.35 O ATOM 51034 C3* G 02426 169.938 56.015 72.812 1.00737.35 C ATOM 51035 O3* G 02426 170.491 55.927 71.488 1.00737.35 O ATOM 51036 C2* G 02426 168.969 57.154 73.141 1.00737.35 C ATOM 51037 O2* G 02426 168.081 57.554 72.121 1.00737.35 O ATOM 51038 C1* G 02426 168.175 56.557 74.309 1.00737.35 C ATOM 51039 N9 G 02426 168.592 56.997 75.639 1.00737.35 N ATOM 51040 C8 G 02426 169.857 56.951 76.175 1.00737.35 C ATOM 51041 N7 G 02426 169.909 57.405 77.400 1.00737.35 N ATOM 51042 C5 G 02426 168.602 57.777 77.685 1.00737.35 C ATOM 51043 C6 G 02426 168.041 58.332 78.866 1.00737.35 C ATOM 51044 O6 G 02426 168.604 58.618 79.930 1.00737.35 O ATOM 51045 N1 G 02426 166.675 58.556 78.725 1.00737.35 N ATOM 51046 C2 G 02426 165.941 58.278 77.599 1.00737.35 C ATOM 51047 N2 G 02426 164.633 58.564 77.659 1.00737.35 N ATOM 51048 N3 G 02426 166.451 57.760 76.495 1.00737.35 N ATOM 51049 C4 G 02426 167.778 57.536 76.608 1.00737.35 C ATOM 51050 P A 02427 169.570 56.172 70.186 1.00737.35 P ATOM 51051 O1P A 02427 169.954 57.486 69.610 1.00737.35 O ATOM 51052 O2P A 02427 168.143 55.897 70.500 1.00737.35 O ATOM 51053 O5* A 02427 170.043 55.035 69.173 1.00737.35 O ATOM 51054 C5* A 02427 169.409 53.756 69.171 1.00737.35 C ATOM 51055 C4* A 02427 170.082 52.830 68.188 1.00737.35 C ATOM 51056 O4* A 02427 171.466 52.632 68.578 1.00737.35 O ATOM 51057 C3* A 02427 169.500 51.426 68.147 1.00737.35 C ATOM 51058 O3* A 02427 168.374 51.365 67.277 1.00737.35 O ATOM 51059 C2* A 02427 170.669 50.602 67.627 1.00737.35 C ATOM 51060 O2* A 02427 170.815 50.674 66.224 1.00737.35 O ATOM 51061 C1* A 02427 171.852 51.292 68.311 1.00737.35 C ATOM 51062 N9 A 02427 172.237 50.658 69.574 1.00737.35 N ATOM 51063 C8 A 02427 171.845 50.997 70.847 1.00737.35 C ATOM 51064 N7 A 02427 172.361 50.235 71.781 1.00737.35 N ATOM 51065 C5 A 02427 173.144 49.331 71.078 1.00737.35 C ATOM 51066 C6 A 02427 173.953 48.258 71.493 1.00737.35 C ATOM 51067 N6 A 02427 174.112 47.902 72.769 1.00737.35 N ATOM 51068 N1 A 02427 174.604 47.555 70.538 1.00737.35 N ATOM 51069 C2 A 02427 174.442 47.916 69.260 1.00737.35 C ATOM 51070 N3 A 02427 173.713 48.902 68.745 1.00737.35 N ATOM 51071 C4 A 02427 173.080 49.580 69.719 1.00737.35 C ATOM 51072 P U 02428 167.138 50.397 67.626 1.00737.35 P ATOM 51073 O1P U 02428 167.399 49.749 68.941 1.00737.35 O ATOM 51074 O2P U 02428 166.873 49.549 66.435 1.00737.35 O ATOM 51075 O5* U 02428 165.903 51.390 67.807 1.00737.35 O ATOM 51076 C5* U 02428 165.892 52.372 68.843 1.00737.35 C ATOM 51077 C4* U 02428 164.605 52.281 69.628 1.00737.35 C ATOM 51078 O4* U 02428 164.472 50.937 70.166 1.00737.35 O ATOM 51079 C3* U 02428 164.508 53.193 70.843 1.00737.35 C ATOM 51080 O3* U 02428 164.044 54.488 70.468 1.00737.35 O ATOM 51081 C2* U 02428 163.507 52.451 71.723 1.00737.35 C ATOM 51082 O2* U 02428 162.165 52.652 71.336 1.00737.35 O ATOM 51083 C1* U 02428 163.899 50.996 71.462 1.00737.35 C ATOM 51084 N1 U 02428 164.871 50.460 72.430 1.00737.35 N ATOM 51085 C2 U 02428 164.387 49.978 73.638 1.00737.35 C ATOM 51086 O2 U 02428 163.202 49.981 73.932 1.00737.35 O ATOM 51087 N3 U 02428 165.346 49.492 74.494 1.00737.35 N ATOM 51088 C4 U 02428 166.708 49.437 74.273 1.00737.35 C ATOM 51089 O4 U 02428 167.441 48.961 75.140 1.00737.35 O ATOM 51090 C5 U 02428 167.129 49.953 73.009 1.00737.35 C ATOM 51091 C6 U 02428 166.223 50.434 72.153 1.00737.35 C ATOM 51092 P A 02429 164.177 55.723 71.496 1.00737.35 P ATOM 51093 O1P A 02429 164.120 56.968 70.691 1.00737.35 O ATOM 51094 O2P A 02429 165.339 55.483 72.391 1.00737.35 O ATOM 51095 O5* A 02429 162.849 55.642 72.372 1.00737.35 O ATOM 51096 C5* A 02429 161.573 55.481 71.752 1.00737.35 C ATOM 51097 C4* A 02429 160.504 55.234 72.791 1.00737.35 C ATOM 51098 O4* A 02429 160.888 54.100 73.614 1.00737.35 O ATOM 51099 C3* A 02429 160.267 56.353 73.793 1.00737.35 C ATOM 51100 O3* A 02429 159.387 57.337 73.256 1.00737.35 O ATOM 51101 C2* A 02429 159.631 55.605 74.958 1.00737.35 C ATOM 51102 O2* A 02429 158.256 55.338 74.765 1.00737.35 O ATOM 51103 C1* A 02429 160.419 54.293 74.940 1.00737.35 C ATOM 51104 N9 A 02429 161.567 54.309 75.850 1.00737.35 N ATOM 51105 C8 A 02429 162.896 54.486 75.545 1.00737.35 C ATOM 51106 N7 A 02429 163.685 54.463 76.592 1.00737.35 N ATOM 51107 C5 A 02429 162.820 54.253 77.658 1.00737.35 C ATOM 51108 C6 A 02429 163.035 54.134 79.041 1.00737.35 C ATOM 51109 N6 A 02429 164.238 54.216 79.615 1.00737.35 N ATOM 51110 N1 A 02429 161.957 53.928 79.829 1.00737.35 N ATOM 51111 C2 A 02429 160.749 53.850 79.256 1.00737.35 C ATOM 51112 N3 A 02429 160.420 53.950 77.972 1.00737.35 N ATOM 51113 C4 A 02429 161.513 54.152 77.215 1.00737.35 C ATOM 51114 P A 02430 159.348 58.813 73.897 1.00737.35 P ATOM 51115 O1P A 02430 158.408 59.622 73.081 1.00737.35 O ATOM 51116 O2P A 02430 160.744 59.280 74.088 1.00737.35 O ATOM 51117 O5* A 02430 158.697 58.591 75.336 1.00737.35 O ATOM 51118 C5* A 02430 157.358 58.113 75.468 1.00737.35 C ATOM 51119 C4* A 02430 156.969 58.039 76.928 1.00737.35 C ATOM 51120 O4* A 02430 157.817 57.079 77.609 1.00737.35 O ATOM 51121 C3* A 02430 157.146 59.326 77.715 1.00737.35 C ATOM 51122 O3* A 02430 156.015 60.175 77.554 1.00737.35 O ATOM 51123 C2* A 02430 157.279 58.813 79.147 1.00737.35 C ATOM 51124 O2* A 02430 156.036 58.517 79.749 1.00737.35 O ATOM 51125 C1* A 02430 158.072 57.521 78.932 1.00737.35 C ATOM 51126 N9 A 02430 159.519 57.688 79.095 1.00737.35 N ATOM 51127 C8 A 02430 160.457 57.947 78.126 1.00737.35 C ATOM 51128 N7 A 02430 161.680 58.041 78.585 1.00737.35 N ATOM 51129 C5 A 02430 161.542 57.832 79.950 1.00737.35 C ATOM 51130 C6 A 02430 162.475 57.803 81.002 1.00737.35 C ATOM 51131 N6 A 02430 163.785 57.997 80.835 1.00737.35 N ATOM 51132 N1 A 02430 162.008 57.567 82.247 1.00737.35 N ATOM 51133 C2 A 02430 160.695 57.374 82.414 1.00737.35 C ATOM 51134 N3 A 02430 159.720 57.375 81.506 1.00737.35 N ATOM 51135 C4 A 02430 160.215 57.611 80.279 1.00737.35 C ATOM 51136 P C 02431 156.226 61.710 77.128 1.00737.35 P ATOM 51137 O1P C 02431 154.876 62.298 76.930 1.00737.35 O ATOM 51138 O2P C 02431 157.213 61.758 76.019 1.00737.35 O ATOM 51139 O5* C 02431 156.893 62.379 78.412 1.00737.35 O ATOM 51140 C5* C 02431 156.106 63.084 79.369 1.00737.35 C ATOM 51141 C4* C 02431 156.982 63.970 80.223 1.00737.35 C ATOM 51142 O4* C 02431 157.847 63.148 81.050 1.00737.35 O ATOM 51143 C3* C 02431 157.943 64.876 79.465 1.00737.35 C ATOM 51144 O3* C 02431 157.297 66.066 79.030 1.00737.35 O ATOM 51145 C2* C 02431 159.017 65.149 80.511 1.00737.35 C ATOM 51146 O2* C 02431 158.650 66.155 81.436 1.00737.35 O ATOM 51147 C1* C 02431 159.101 63.794 81.223 1.00737.35 C ATOM 51148 N1 C 02431 160.166 62.919 80.690 1.00737.35 N ATOM 51149 C2 C 02431 161.451 62.998 81.252 1.00737.35 C ATOM 51150 O2 C 02431 161.661 63.792 82.185 1.00737.35 O ATOM 51151 N3 C 02431 162.433 62.205 80.763 1.00737.35 N ATOM 51152 C4 C 02431 162.173 61.363 79.761 1.00737.35 C ATOM 51153 N4 C 02431 163.175 60.602 79.311 1.00737.35 N ATOM 51154 C5 C 02431 160.880 61.259 79.175 1.00737.35 C ATOM 51155 C6 C 02431 159.915 62.048 79.666 1.00737.35 C ATOM 51156 P A 02432 157.733 66.746 77.639 1.00737.35 P ATOM 51157 O1P A 02432 156.900 67.963 77.462 1.00737.35 O ATOM 51158 O2P A 02432 157.733 65.700 76.581 1.00737.35 O ATOM 51159 O5* A 02432 159.239 67.206 77.886 1.00737.35 O ATOM 51160 C5* A 02432 159.564 68.086 78.958 1.00737.35 C ATOM 51161 C4* A 02432 161.056 68.311 79.027 1.00737.35 C ATOM 51162 O4* A 02432 161.731 67.053 79.280 1.00737.35 O ATOM 51163 C3* A 02432 161.724 68.834 77.767 1.00737.35 C ATOM 51164 O3* A 02432 161.577 70.248 77.665 1.00737.35 O ATOM 51165 C2* A 02432 163.180 68.430 77.982 1.00737.35 C ATOM 51166 O2* A 02432 163.892 69.329 78.806 1.00737.35 O ATOM 51167 C1* A 02432 163.024 67.087 78.699 1.00737.35 C ATOM 51168 N9 A 02432 163.183 65.928 77.819 1.00737.35 N ATOM 51169 C8 A 02432 162.251 65.338 76.996 1.00737.35 C ATOM 51170 N7 A 02432 162.713 64.312 76.322 1.00737.35 N ATOM 51171 C5 A 02432 164.039 64.217 76.728 1.00737.35 C ATOM 51172 C6 A 02432 165.077 63.334 76.378 1.00737.35 C ATOM 51173 N6 A 02432 164.941 62.337 75.499 1.00737.35 N ATOM 51174 N1 A 02432 166.279 63.513 76.969 1.00737.35 N ATOM 51175 C2 A 02432 166.419 64.515 77.846 1.00737.35 C ATOM 51176 N3 A 02432 165.524 65.409 78.254 1.00737.35 N ATOM 51177 C4 A 02432 164.340 65.205 77.650 1.00737.35 C ATOM 51178 P G 02433 161.734 70.966 76.236 1.00737.35 P ATOM 51179 O1P G 02433 161.378 72.398 76.422 1.00737.35 O ATOM 51180 O2P G 02433 161.015 70.160 75.216 1.00737.35 O ATOM 51181 O5* G 02433 163.297 70.876 75.932 1.00737.35 O ATOM 51182 C5* G 02433 164.242 71.578 76.740 1.00737.35 C ATOM 51183 C4* G 02433 165.642 71.369 76.213 1.00737.35 C ATOM 51184 O4* G 02433 166.004 69.967 76.334 1.00737.35 O ATOM 51185 C3* G 02433 165.844 71.681 74.738 1.00737.35 C ATOM 51186 O3* G 02433 166.076 73.071 74.535 1.00737.35 O ATOM 51187 C2* G 02433 167.067 70.842 74.395 1.00737.35 C ATOM 51188 O2* G 02433 168.285 71.451 74.781 1.00737.35 O ATOM 51189 C1* G 02433 166.826 69.588 75.242 1.00737.35 C ATOM 51190 N9 G 02433 166.163 68.512 74.511 1.00737.35 N ATOM 51191 C8 G 02433 164.818 68.226 74.490 1.00737.35 C ATOM 51192 N7 G 02433 164.522 67.196 73.742 1.00737.35 N ATOM 51193 C5 G 02433 165.747 66.776 73.238 1.00737.35 C ATOM 51194 C6 G 02433 166.059 65.701 72.365 1.00737.35 C ATOM 51195 O6 G 02433 165.291 64.880 71.848 1.00737.35 O ATOM 51196 N1 G 02433 167.424 65.633 72.110 1.00737.35 N ATOM 51197 C2 G 02433 168.368 66.484 72.623 1.00737.35 C ATOM 51198 N2 G 02433 169.639 66.252 72.252 1.00737.35 N ATOM 51199 N3 G 02433 168.092 67.490 73.437 1.00737.35 N ATOM 51200 C4 G 02433 166.769 67.577 73.702 1.00737.35 C ATOM 51201 P G 02434 165.374 73.822 73.300 1.00737.35 P ATOM 51202 O1P G 02434 165.871 75.222 73.296 1.00737.35 O ATOM 51203 O2P G 02434 163.912 73.565 73.365 1.00737.35 O ATOM 51204 O5* G 02434 165.954 73.076 72.018 1.00737.35 O ATOM 51205 C5* G 02434 167.305 73.269 71.602 1.00737.35 C ATOM 51206 C4* G 02434 167.595 72.460 70.358 1.00737.35 C ATOM 51207 O4* G 02434 167.540 71.044 70.674 1.00737.35 O ATOM 51208 C3* G 02434 166.610 72.635 69.214 1.00737.35 C ATOM 51209 O3* G 02434 166.947 73.777 68.433 1.00737.35 O ATOM 51210 C2* G 02434 166.780 71.335 68.433 1.00737.35 C ATOM 51211 O2* G 02434 167.888 71.361 67.557 1.00737.35 O ATOM 51212 C1* G 02434 167.035 70.328 69.560 1.00737.35 C ATOM 51213 N9 G 02434 165.853 69.577 69.983 1.00737.35 N ATOM 51214 C8 G 02434 165.155 69.723 71.160 1.00737.35 C ATOM 51215 N7 G 02434 164.154 68.895 71.268 1.00737.35 N ATOM 51216 C5 G 02434 164.186 68.156 70.093 1.00737.35 C ATOM 51217 C6 G 02434 163.344 67.103 69.647 1.00737.35 C ATOM 51218 O6 G 02434 162.375 66.591 70.223 1.00737.35 O ATOM 51219 N1 G 02434 163.726 66.644 68.392 1.00737.35 N ATOM 51220 C2 G 02434 164.785 67.124 67.660 1.00737.35 C ATOM 51221 N2 G 02434 164.989 66.543 66.468 1.00737.35 N ATOM 51222 N3 G 02434 165.582 68.100 68.066 1.00737.35 N ATOM 51223 C4 G 02434 165.226 68.568 69.285 1.00737.35 C ATOM 51224 P C 02435 165.820 74.501 67.543 1.00737.35 P ATOM 51225 O1P C 02435 166.414 75.757 67.019 1.00737.35 O ATOM 51226 O2P C 02435 164.560 74.560 68.329 1.00737.35 O ATOM 51227 O5* C 02435 165.596 73.504 66.321 1.00737.35 O ATOM 51228 C5* C 02435 166.620 73.287 65.351 1.00737.35 C ATOM 51229 C4* C 02435 166.192 72.223 64.366 1.00737.35 C ATOM 51230 O4* C 02435 166.047 70.955 65.059 1.00737.35 O ATOM 51231 C3* C 02435 164.846 72.458 63.699 1.00737.35 C ATOM 51232 O3* C 02435 164.997 73.287 62.547 1.00737.35 O ATOM 51233 C2* C 02435 164.404 71.045 63.342 1.00737.35 C ATOM 51234 O2* C 02435 164.994 70.564 62.150 1.00737.35 O ATOM 51235 C1* C 02435 164.934 70.248 64.537 1.00737.35 C ATOM 51236 N1 C 02435 163.950 70.054 65.625 1.00737.35 N ATOM 51237 C2 C 02435 163.027 68.995 65.535 1.00737.35 C ATOM 51238 O2 C 02435 163.038 68.256 64.536 1.00737.35 O ATOM 51239 N3 C 02435 162.145 68.807 66.544 1.00737.35 N ATOM 51240 C4 C 02435 162.152 69.619 67.602 1.00737.35 C ATOM 51241 N4 C 02435 161.266 69.389 68.574 1.00737.35 N ATOM 51242 C5 C 02435 163.067 70.707 67.712 1.00737.35 C ATOM 51243 C6 C 02435 163.938 70.887 66.712 1.00737.35 C ATOM 51244 P U 02436 163.847 74.342 62.163 1.00737.35 P ATOM 51245 O1P U 02436 164.373 75.187 61.063 1.00737.35 O ATOM 51246 O2P U 02436 163.356 74.986 63.410 1.00737.35 O ATOM 51247 O5* U 02436 162.673 73.437 61.574 1.00737.35 O ATOM 51248 C5* U 02436 162.852 72.692 60.373 1.00737.35 C ATOM 51249 C4* U 02436 161.827 71.587 60.283 1.00737.35 C ATOM 51250 O4* U 02436 162.009 70.679 61.404 1.00737.35 O ATOM 51251 C3* U 02436 160.372 72.025 60.384 1.00737.35 C ATOM 51252 O3* U 02436 159.866 72.417 59.112 1.00737.35 O ATOM 51253 C2* U 02436 159.691 70.761 60.890 1.00737.35 C ATOM 51254 O2* U 02436 159.436 69.824 59.864 1.00737.35 O ATOM 51255 C1* U 02436 160.747 70.208 61.848 1.00737.35 C ATOM 51256 N1 U 02436 160.549 70.636 63.244 1.00737.35 N ATOM 51257 C2 U 02436 159.707 69.873 64.042 1.00737.35 C ATOM 51258 O2 U 02436 159.136 68.870 63.644 1.00737.35 O ATOM 51259 N3 U 02436 159.560 70.329 65.329 1.00737.35 N ATOM 51260 C4 U 02436 160.152 71.443 65.891 1.00737.35 C ATOM 51261 O4 U 02436 159.919 71.722 67.067 1.00737.35 O ATOM 51262 C5 U 02436 161.004 72.174 65.008 1.00737.35 C ATOM 51263 C6 U 02436 161.170 71.758 63.749 1.00737.35 C ATOM 51264 P G 02437 158.887 73.686 58.992 1.00737.35 P ATOM 51265 O1P G 02437 158.243 73.654 57.654 1.00737.35 O ATOM 51266 O2P G 02437 159.663 74.883 59.405 1.00737.35 O ATOM 51267 O5* G 02437 157.765 73.423 60.094 1.00737.35 O ATOM 51268 C5* G 02437 156.932 72.264 60.042 1.00737.35 C ATOM 51269 C4* G 02437 156.222 72.075 61.361 1.00737.35 C ATOM 51270 O4* G 02437 157.211 71.893 62.407 1.00737.35 O ATOM 51271 C3* G 02437 155.388 73.260 61.826 1.00737.35 C ATOM 51272 O3* G 02437 154.068 73.185 61.292 1.00737.35 O ATOM 51273 C2* G 02437 155.364 73.066 63.340 1.00737.35 C ATOM 51274 O2* G 02437 154.384 72.141 63.768 1.00737.35 O ATOM 51275 C1* G 02437 156.757 72.498 63.607 1.00737.35 C ATOM 51276 N9 G 02437 157.741 73.496 64.023 1.00737.35 N ATOM 51277 C8 G 02437 158.583 74.227 63.220 1.00737.35 C ATOM 51278 N7 G 02437 159.356 75.040 63.890 1.00737.35 N ATOM 51279 C5 G 02437 159.001 74.832 65.217 1.00737.35 C ATOM 51280 C6 G 02437 159.500 75.428 66.406 1.00737.35 C ATOM 51281 O6 G 02437 160.382 76.287 66.525 1.00737.35 O ATOM 51282 N1 G 02437 158.860 74.927 67.536 1.00737.35 N ATOM 51283 C2 G 02437 157.872 73.976 67.528 1.00737.35 C ATOM 51284 N2 G 02437 157.380 73.621 68.723 1.00737.35 N ATOM 51285 N3 G 02437 157.396 73.413 66.429 1.00737.35 N ATOM 51286 C4 G 02437 158.004 73.885 65.316 1.00737.35 C ATOM 51287 P A 02438 153.731 73.860 59.871 1.00737.35 P ATOM 51288 O1P A 02438 154.962 74.476 59.307 1.00737.35 O ATOM 51289 O2P A 02438 152.519 74.697 60.064 1.00737.35 O ATOM 51290 O5* A 02438 153.341 72.609 58.963 1.00737.35 O ATOM 51291 C5* A 02438 152.350 72.703 57.942 1.00737.35 C ATOM 51292 C4* A 02438 151.178 71.810 58.277 1.00737.35 C ATOM 51293 O4* A 02438 151.678 70.476 58.580 1.00737.35 O ATOM 51294 C3* A 02438 150.389 72.219 59.511 1.00737.35 C ATOM 51295 O3* A 02438 149.357 73.138 59.165 1.00737.35 O ATOM 51296 C2* A 02438 149.828 70.891 59.999 1.00737.35 C ATOM 51297 O2* A 02438 148.684 70.473 59.281 1.00737.35 O ATOM 51298 C1* A 02438 150.994 69.948 59.708 1.00737.35 C ATOM 51299 N9 A 02438 151.958 69.830 60.810 1.00737.35 N ATOM 51300 C8 A 02438 153.318 70.017 60.746 1.00737.35 C ATOM 51301 N7 A 02438 153.929 69.853 61.891 1.00737.35 N ATOM 51302 C5 A 02438 152.906 69.535 62.773 1.00737.35 C ATOM 51303 C6 A 02438 152.902 69.247 64.148 1.00737.35 C ATOM 51304 N6 A 02438 154.006 69.232 64.898 1.00737.35 N ATOM 51305 N1 A 02438 151.716 68.972 64.733 1.00737.35 N ATOM 51306 C2 A 02438 150.612 68.986 63.972 1.00737.35 C ATOM 51307 N3 A 02438 150.487 69.242 62.670 1.00737.35 N ATOM 51308 C4 A 02438 151.685 69.514 62.123 1.00737.35 C ATOM 51309 P U 02439 148.799 74.174 60.261 1.00737.35 P ATOM 51310 O1P U 02439 147.699 74.957 59.640 1.00737.35 O ATOM 51311 O2P U 02439 149.961 74.886 60.847 1.00737.35 O ATOM 51312 O5* U 02439 148.175 73.244 61.394 1.00737.35 O ATOM 51313 C5* U 02439 147.018 72.447 61.140 1.00737.35 C ATOM 51314 C4* U 02439 146.506 71.844 62.428 1.00737.35 C ATOM 51315 O4* U 02439 147.530 70.975 62.984 1.00737.35 O ATOM 51316 C3* U 02439 146.209 72.839 63.538 1.00737.35 C ATOM 51317 O3* U 02439 144.896 73.373 63.418 1.00737.35 O ATOM 51318 C2* U 02439 146.355 71.981 64.789 1.00737.35 C ATOM 51319 O2* U 02439 145.213 71.194 65.062 1.00737.35 O ATOM 51320 C1* U 02439 147.527 71.077 64.399 1.00737.35 C ATOM 51321 N1 U 02439 148.837 71.589 64.841 1.00737.35 N ATOM 51322 C2 U 02439 149.208 71.364 66.160 1.00737.35 C ATOM 51323 O2 U 02439 148.500 70.776 66.961 1.00737.35 O ATOM 51324 N3 U 02439 150.442 71.859 66.505 1.00737.35 N ATOM 51325 C4 U 02439 151.324 72.540 65.692 1.00737.35 C ATOM 51326 O4 U 02439 152.404 72.913 66.150 1.00737.35 O ATOM 51327 C5 U 02439 150.868 72.737 64.351 1.00737.35 C ATOM 51328 C6 U 02439 149.674 72.268 63.980 1.00737.35 C ATOM 51329 P C 02440 144.660 74.956 63.587 1.00737.35 P ATOM 51330 O1P C 02440 143.212 75.185 63.831 1.00737.35 O ATOM 51331 O2P C 02440 145.327 75.627 62.444 1.00737.35 O ATOM 51332 O5* C 02440 145.461 75.330 64.915 1.00737.35 O ATOM 51333 C5* C 02440 145.063 74.814 66.185 1.00737.35 C ATOM 51334 C4* C 02440 145.930 75.396 67.279 1.00737.35 C ATOM 51335 O4* C 02440 147.301 74.958 67.098 1.00737.35 O ATOM 51336 C3* C 02440 146.014 76.915 67.303 1.00737.35 C ATOM 51337 O3* C 02440 144.918 77.476 68.017 1.00737.35 O ATOM 51338 C2* C 02440 147.344 77.155 68.007 1.00737.35 C ATOM 51339 O2* C 02440 147.253 77.058 69.416 1.00737.35 O ATOM 51340 C1* C 02440 148.191 76.003 67.459 1.00737.35 C ATOM 51341 N1 C 02440 149.006 76.363 66.282 1.00737.35 N ATOM 51342 C2 C 02440 150.201 77.084 66.472 1.00737.35 C ATOM 51343 O2 C 02440 150.536 77.411 67.625 1.00737.35 O ATOM 51344 N3 C 02440 150.957 77.406 65.397 1.00737.35 N ATOM 51345 C4 C 02440 150.564 77.044 64.173 1.00737.35 C ATOM 51346 N4 C 02440 151.343 77.382 63.143 1.00737.35 N ATOM 51347 C5 C 02440 149.356 76.322 63.949 1.00737.35 C ATOM 51348 C6 C 02440 148.617 76.005 65.019 1.00737.35 C ATOM 51349 P U 02441 144.378 78.940 67.630 1.00737.35 P ATOM 51350 O1P U 02441 143.195 79.235 68.477 1.00737.35 O ATOM 51351 O2P U 02441 144.253 78.998 66.150 1.00737.35 O ATOM 51352 O5* U 02441 145.568 79.911 68.060 1.00737.35 O ATOM 51353 C5* U 02441 145.799 80.223 69.433 1.00737.35 C ATOM 51354 C4* U 02441 146.905 81.246 69.558 1.00737.35 C ATOM 51355 O4* U 02441 148.163 80.657 69.135 1.00737.35 O ATOM 51356 C3* U 02441 146.758 82.483 68.685 1.00737.35 C ATOM 51357 O3* U 02441 145.911 83.449 69.299 1.00737.35 O ATOM 51358 C2* U 02441 148.199 82.966 68.568 1.00737.35 C ATOM 51359 O2* U 02441 148.637 83.696 69.695 1.00737.35 O ATOM 51360 C1* U 02441 148.955 81.637 68.480 1.00737.35 C ATOM 51361 N1 U 02441 149.206 81.193 67.098 1.00737.35 N ATOM 51362 C2 U 02441 150.329 81.691 66.449 1.00737.35 C ATOM 51363 O2 U 02441 151.110 82.473 66.971 1.00737.35 O ATOM 51364 N3 U 02441 150.502 81.240 65.165 1.00737.35 N ATOM 51365 C4 U 02441 149.690 80.360 64.473 1.00737.35 C ATOM 51366 O4 U 02441 149.978 80.048 63.317 1.00737.35 O ATOM 51367 C5 U 02441 148.555 79.892 65.210 1.00737.35 C ATOM 51368 C6 U 02441 148.357 80.312 66.459 1.00737.35 C ATOM 51369 P C 02442 145.085 84.482 68.381 1.00737.35 P ATOM 51370 O1P C 02442 144.216 85.296 69.269 1.00737.35 O ATOM 51371 O2P C 02442 144.475 83.709 67.269 1.00737.35 O ATOM 51372 O5* C 02442 146.209 85.430 67.767 1.00737.35 O ATOM 51373 C5* C 02442 146.958 86.307 68.602 1.00737.35 C ATOM 51374 C4* C 02442 148.091 86.943 67.827 1.00737.35 C ATOM 51375 O4* C 02442 149.022 85.917 67.391 1.00737.35 O ATOM 51376 C3* C 02442 147.709 87.653 66.539 1.00737.35 C ATOM 51377 O3* C 02442 147.221 88.967 66.790 1.00737.35 O ATOM 51378 C2* C 02442 149.032 87.667 65.783 1.00737.35 C ATOM 51379 O2* C 02442 149.912 88.688 66.217 1.00737.35 O ATOM 51380 C1* C 02442 149.607 86.299 66.155 1.00737.35 C ATOM 51381 N1 C 02442 149.329 85.259 65.144 1.00737.35 N ATOM 51382 C2 C 02442 150.185 85.151 64.033 1.00737.35 C ATOM 51383 O2 C 02442 151.155 85.921 63.938 1.00737.35 O ATOM 51384 N3 C 02442 149.930 84.210 63.095 1.00737.35 N ATOM 51385 C4 C 02442 148.880 83.399 63.230 1.00737.35 C ATOM 51386 N4 C 02442 148.668 82.489 62.274 1.00737.35 N ATOM 51387 C5 C 02442 147.998 83.483 64.346 1.00737.35 C ATOM 51388 C6 C 02442 148.257 84.416 65.272 1.00737.35 C ATOM 51389 P C 02443 146.329 89.714 65.679 1.00737.35 P ATOM 51390 O1P C 02443 145.815 90.977 66.269 1.00737.35 O ATOM 51391 O2P C 02443 145.371 88.722 65.124 1.00737.35 O ATOM 51392 O5* C 02443 147.377 90.083 64.534 1.00737.35 O ATOM 51393 C5* C 02443 148.466 90.962 64.801 1.00737.35 C ATOM 51394 C4* C 02443 149.408 91.016 63.621 1.00737.35 C ATOM 51395 O4* C 02443 149.995 89.708 63.397 1.00737.35 O ATOM 51396 C3* C 02443 148.789 91.368 62.278 1.00737.35 C ATOM 51397 O3* C 02443 148.621 92.776 62.145 1.00737.35 O ATOM 51398 C2* C 02443 149.824 90.825 61.299 1.00737.35 C ATOM 51399 O2* C 02443 150.928 91.692 61.118 1.00737.35 O ATOM 51400 C1* C 02443 150.287 89.553 62.014 1.00737.35 C ATOM 51401 N1 C 02443 149.645 88.319 61.514 1.00737.35 N ATOM 51402 C2 C 02443 150.184 87.690 60.377 1.00737.35 C ATOM 51403 O2 C 02443 151.182 88.185 59.827 1.00737.35 O ATOM 51404 N3 C 02443 149.604 86.561 59.907 1.00737.35 N ATOM 51405 C4 C 02443 148.533 86.056 60.522 1.00737.35 C ATOM 51406 N4 C 02443 147.997 84.940 60.022 1.00737.35 N ATOM 51407 C5 C 02443 147.963 86.671 61.675 1.00737.35 C ATOM 51408 C6 C 02443 148.545 87.790 62.134 1.00737.35 C ATOM 51409 P C 02444 147.558 93.356 61.085 1.00737.35 P ATOM 51410 O1P C 02444 147.508 94.832 61.241 1.00737.35 O ATOM 51411 O2P C 02444 146.309 92.561 61.212 1.00737.35 O ATOM 51412 O5* C 02444 148.211 93.023 59.670 1.00737.35 O ATOM 51413 C5* C 02444 149.463 93.593 59.291 1.00737.35 C ATOM 51414 C4* C 02444 149.953 92.983 58.000 1.00737.35 C ATOM 51415 O4* C 02444 150.197 91.564 58.192 1.00737.35 O ATOM 51416 C3* C 02444 148.986 93.036 56.829 1.00737.35 C ATOM 51417 O3* C 02444 149.054 94.297 56.172 1.00737.35 O ATOM 51418 C2* C 02444 149.492 91.901 55.943 1.00737.35 C ATOM 51419 O2* C 02444 150.602 92.266 55.148 1.00737.35 O ATOM 51420 C1* C 02444 149.922 90.867 56.986 1.00737.35 C ATOM 51421 N1 C 02444 148.905 89.827 57.249 1.00737.35 N ATOM 51422 C2 C 02444 148.811 88.732 56.373 1.00737.35 C ATOM 51423 O2 C 02444 149.583 88.664 55.402 1.00737.35 O ATOM 51424 N3 C 02444 147.883 87.778 56.607 1.00737.35 N ATOM 51425 C4 C 02444 147.064 87.881 57.655 1.00737.35 C ATOM 51426 N4 C 02444 146.163 86.914 57.840 1.00737.35 N ATOM 51427 C5 C 02444 147.136 88.980 58.561 1.00737.35 C ATOM 51428 C6 C 02444 148.059 89.920 58.323 1.00737.35 C ATOM 51429 P C 02445 147.799 94.819 55.310 1.00737.35 P ATOM 51430 O1P C 02445 148.071 96.218 54.894 1.00737.35 O ATOM 51431 O2P C 02445 146.563 94.510 56.075 1.00737.35 O ATOM 51432 O5* C 02445 147.819 93.895 54.013 1.00737.35 O ATOM 51433 C5* C 02445 148.932 93.914 53.119 1.00737.35 C ATOM 51434 C4* C 02445 148.630 93.091 51.887 1.00737.35 C ATOM 51435 O4* C 02445 148.452 91.699 52.261 1.00737.35 O ATOM 51436 C3* C 02445 147.347 93.450 51.155 1.00737.35 C ATOM 51437 O3* C 02445 147.564 94.541 50.265 1.00737.35 O ATOM 51438 C2* C 02445 147.028 92.157 50.409 1.00737.35 C ATOM 51439 O2* C 02445 147.756 92.018 49.204 1.00737.35 O ATOM 51440 C1* C 02445 147.488 91.098 51.413 1.00737.35 C ATOM 51441 N1 C 02445 146.401 90.542 52.247 1.00737.35 N ATOM 51442 C2 C 02445 145.646 89.463 51.749 1.00737.35 C ATOM 51443 O2 C 02445 145.908 89.008 50.623 1.00737.35 O ATOM 51444 N3 C 02445 144.654 88.946 52.509 1.00737.35 N ATOM 51445 C4 C 02445 144.398 89.458 53.715 1.00737.35 C ATOM 51446 N4 C 02445 143.411 88.910 54.429 1.00737.35 N ATOM 51447 C5 C 02445 145.144 90.552 54.244 1.00737.35 C ATOM 51448 C6 C 02445 146.124 91.059 53.484 1.00737.35 C ATOM 51449 P C 02446 146.445 95.687 50.114 1.00737.35 P ATOM 51450 O1P C 02446 146.963 96.721 49.180 1.00737.35 O ATOM 51451 O2P C 02446 146.022 96.084 51.482 1.00737.35 O ATOM 51452 O5* C 02446 145.221 94.947 49.416 1.00737.35 O ATOM 51453 C5* C 02446 145.362 94.360 48.122 1.00737.35 C ATOM 51454 C4* C 02446 144.296 93.314 47.900 1.00737.35 C ATOM 51455 O4* C 02446 144.422 92.283 48.916 1.00737.35 O ATOM 51456 C3* C 02446 142.855 93.790 48.028 1.00737.35 C ATOM 51457 O3* C 02446 142.401 94.364 46.803 1.00737.35 O ATOM 51458 C2* C 02446 142.124 92.497 48.361 1.00737.35 C ATOM 51459 O2* C 02446 141.886 91.687 47.228 1.00737.35 O ATOM 51460 C1* C 02446 143.137 91.804 49.278 1.00737.35 C ATOM 51461 N1 C 02446 142.916 92.065 50.716 1.00737.35 N ATOM 51462 C2 C 02446 142.089 91.196 51.446 1.00737.35 C ATOM 51463 O2 C 02446 141.565 90.231 50.867 1.00737.35 O ATOM 51464 N3 C 02446 141.884 91.433 52.762 1.00737.35 N ATOM 51465 C4 C 02446 142.461 92.481 53.352 1.00737.35 C ATOM 51466 N4 C 02446 142.228 92.673 54.652 1.00737.35 N ATOM 51467 C5 C 02446 143.306 93.379 52.637 1.00737.35 C ATOM 51468 C6 C 02446 143.505 93.135 51.335 1.00737.35 C ATOM 51469 P G 02447 141.361 95.593 46.829 1.00737.35 P ATOM 51470 O1P G 02447 141.581 96.375 45.582 1.00737.35 O ATOM 51471 O2P G 02447 141.451 96.276 48.145 1.00737.35 O ATOM 51472 O5* G 02447 139.932 94.896 46.730 1.00737.35 O ATOM 51473 C5* G 02447 139.575 94.108 45.594 1.00737.35 C ATOM 51474 C4* G 02447 138.665 92.974 46.004 1.00737.35 C ATOM 51475 O4* G 02447 139.328 92.204 47.043 1.00737.35 O ATOM 51476 C3* G 02447 137.333 93.371 46.624 1.00737.35 C ATOM 51477 O3* G 02447 136.347 93.614 45.617 1.00737.35 O ATOM 51478 C2* G 02447 136.997 92.144 47.467 1.00737.35 C ATOM 51479 O2* G 02447 136.483 91.070 46.705 1.00737.35 O ATOM 51480 C1* G 02447 138.377 91.766 48.002 1.00737.35 C ATOM 51481 N9 G 02447 138.690 92.395 49.283 1.00737.35 N ATOM 51482 C8 G 02447 139.165 93.669 49.488 1.00737.35 C ATOM 51483 N7 G 02447 139.340 93.954 50.750 1.00737.35 N ATOM 51484 C5 G 02447 138.960 92.800 51.419 1.00737.35 C ATOM 51485 C6 G 02447 138.932 92.514 52.809 1.00737.35 C ATOM 51486 O6 G 02447 139.248 93.244 53.755 1.00737.35 O ATOM 51487 N1 G 02447 138.481 91.221 53.054 1.00737.35 N ATOM 51488 C2 G 02447 138.102 90.319 52.089 1.00737.35 C ATOM 51489 N2 G 02447 137.695 89.120 52.529 1.00737.35 N ATOM 51490 N3 G 02447 138.121 90.575 50.791 1.00737.35 N ATOM 51491 C4 G 02447 138.557 91.826 50.530 1.00737.35 C ATOM 51492 P A 02448 135.138 94.644 45.903 1.00737.35 P ATOM 51493 O1P A 02448 134.961 95.478 44.687 1.00737.35 O ATOM 51494 O2P A 02448 135.378 95.306 47.213 1.00737.35 O ATOM 51495 O5* A 02448 133.851 93.716 46.056 1.00737.35 O ATOM 51496 C5* A 02448 133.943 92.442 46.686 1.00737.35 C ATOM 51497 C4* A 02448 132.574 91.841 46.891 1.00737.35 C ATOM 51498 O4* A 02448 132.743 90.480 47.376 1.00737.35 O ATOM 51499 C3* A 02448 131.702 92.523 47.936 1.00737.35 C ATOM 51500 O3* A 02448 130.946 93.587 47.364 1.00737.35 O ATOM 51501 C2* A 02448 130.806 91.384 48.403 1.00737.35 C ATOM 51502 O2* A 02448 129.725 91.130 47.527 1.00737.35 O ATOM 51503 C1* A 02448 131.781 90.205 48.379 1.00737.35 C ATOM 51504 N9 A 02448 132.483 90.008 49.650 1.00737.35 N ATOM 51505 C8 A 02448 133.756 90.410 49.983 1.00737.35 C ATOM 51506 N7 A 02448 134.108 90.090 51.203 1.00737.35 N ATOM 51507 C5 A 02448 132.996 89.435 51.711 1.00737.35 C ATOM 51508 C6 A 02448 132.732 88.849 52.962 1.00737.35 C ATOM 51509 N6 A 02448 133.607 88.832 53.969 1.00737.35 N ATOM 51510 N1 A 02448 131.522 88.278 53.145 1.00737.35 N ATOM 51511 C2 A 02448 130.644 88.298 52.134 1.00737.35 C ATOM 51512 N3 A 02448 130.774 88.815 50.917 1.00737.35 N ATOM 51513 C4 A 02448 131.987 89.376 50.765 1.00737.35 C ATOM 51514 P G 02449 130.569 94.876 48.254 1.00737.35 P ATOM 51515 O1P G 02449 129.643 95.728 47.467 1.00737.35 O ATOM 51516 O2P G 02449 131.841 95.450 48.765 1.00737.35 O ATOM 51517 O5* G 02449 129.767 94.280 49.498 1.00737.35 O ATOM 51518 C5* G 02449 128.598 93.483 49.307 1.00737.35 C ATOM 51519 C4* G 02449 128.207 92.806 50.604 1.00737.35 C ATOM 51520 O4* G 02449 129.327 92.019 51.083 1.00737.35 O ATOM 51521 C3* G 02449 127.870 93.742 51.755 1.00737.35 C ATOM 51522 O3* G 02449 126.496 94.115 51.699 1.00737.35 O ATOM 51523 C2* G 02449 128.175 92.880 52.978 1.00737.35 C ATOM 51524 O2* G 02449 127.127 91.986 53.299 1.00737.35 O ATOM 51525 C1* G 02449 129.396 92.092 52.500 1.00737.35 C ATOM 51526 N9 G 02449 130.681 92.687 52.869 1.00737.35 N ATOM 51527 C8 G 02449 131.582 93.299 52.028 1.00737.35 C ATOM 51528 N7 G 02449 132.651 93.723 52.643 1.00737.35 N ATOM 51529 C5 G 02449 132.445 93.378 53.974 1.00737.35 C ATOM 51530 C6 G 02449 133.265 93.582 55.111 1.00737.35 C ATOM 51531 O6 G 02449 134.376 94.121 55.175 1.00737.35 O ATOM 51532 N1 G 02449 132.672 93.078 56.266 1.00737.35 N ATOM 51533 C2 G 02449 131.447 92.458 56.319 1.00737.35 C ATOM 51534 N2 G 02449 131.051 92.048 57.531 1.00737.35 N ATOM 51535 N3 G 02449 130.675 92.258 55.264 1.00737.35 N ATOM 51536 C4 G 02449 131.231 92.739 54.130 1.00737.35 C ATOM 51537 P A 02450 125.999 95.458 52.434 1.00737.35 P ATOM 51538 O1P A 02450 124.567 95.668 52.089 1.00737.35 O ATOM 51539 O2P A 02450 126.984 96.529 52.142 1.00737.35 O ATOM 51540 O5* A 02450 126.096 95.106 53.984 1.00737.35 O ATOM 51541 C5* A 02450 125.202 94.172 54.588 1.00737.35 C ATOM 51542 C4* A 02450 125.405 94.148 56.087 1.00737.35 C ATOM 51543 O4* A 02450 126.746 93.668 56.377 1.00737.35 O ATOM 51544 C3* A 02450 125.317 95.504 56.768 1.00737.35 C ATOM 51545 O3* A 02450 123.968 95.815 57.105 1.00737.35 O ATOM 51546 C2* A 02450 126.186 95.305 58.005 1.00737.35 C ATOM 51547 O2* A 02450 125.514 94.638 59.056 1.00737.35 O ATOM 51548 C1* A 02450 127.298 94.412 57.453 1.00737.35 C ATOM 51549 N9 A 02450 128.457 95.154 56.945 1.00737.35 N ATOM 51550 C8 A 02450 128.785 95.396 55.632 1.00737.35 C ATOM 51551 N7 A 02450 129.887 96.088 55.482 1.00737.35 N ATOM 51552 C5 A 02450 130.316 96.318 56.782 1.00737.35 C ATOM 51553 C6 A 02450 131.429 96.998 57.299 1.00737.35 C ATOM 51554 N6 A 02450 132.351 97.588 56.537 1.00737.35 N ATOM 51555 N1 A 02450 131.567 97.051 58.643 1.00737.35 N ATOM 51556 C2 A 02450 130.641 96.453 59.403 1.00737.35 C ATOM 51557 N3 A 02450 129.550 95.783 59.034 1.00737.35 N ATOM 51558 C4 A 02450 129.445 95.751 57.694 1.00737.35 C ATOM 51559 P G 02451 123.380 97.276 56.779 1.00737.35 P ATOM 51560 O1P G 02451 121.997 97.349 57.315 1.00737.35 O ATOM 51561 O2P G 02451 123.624 97.546 55.339 1.00737.35 O ATOM 51562 O5* G 02451 124.301 98.262 57.629 1.00737.35 O ATOM 51563 C5* G 02451 124.282 98.237 59.055 1.00737.35 C ATOM 51564 C4* G 02451 125.459 99.010 59.605 1.00737.35 C ATOM 51565 O4* G 02451 126.691 98.355 59.199 1.00737.35 O ATOM 51566 C3* G 02451 125.601 100.438 59.104 1.00737.35 C ATOM 51567 O3* G 02451 124.800 101.329 59.877 1.00737.35 O ATOM 51568 C2* G 02451 127.093 100.696 59.283 1.00737.35 C ATOM 51569 O2* G 02451 127.446 101.025 60.612 1.00737.35 O ATOM 51570 C1* G 02451 127.681 99.332 58.913 1.00737.35 C ATOM 51571 N9 G 02451 128.043 99.220 57.503 1.00737.35 N ATOM 51572 C8 G 02451 127.301 98.643 56.497 1.00737.35 C ATOM 51573 N7 G 02451 127.890 98.694 55.332 1.00737.35 N ATOM 51574 C5 G 02451 129.091 99.344 55.581 1.00737.35 C ATOM 51575 C6 G 02451 130.147 99.689 54.700 1.00737.35 C ATOM 51576 O6 G 02451 130.237 99.480 53.484 1.00737.35 O ATOM 51577 N1 G 02451 131.177 100.339 55.369 1.00737.35 N ATOM 51578 C2 G 02451 131.192 100.626 56.712 1.00737.35 C ATOM 51579 N2 G 02451 132.276 101.266 57.169 1.00737.35 N ATOM 51580 N3 G 02451 130.214 100.308 57.543 1.00737.35 N ATOM 51581 C4 G 02451 129.201 99.676 56.915 1.00737.35 C ATOM 51582 P U 02452 124.429 102.785 59.298 1.00737.35 P ATOM 51583 O1P U 02452 125.697 103.540 59.147 1.00737.35 O ATOM 51584 O2P U 02452 123.334 103.347 60.131 1.00737.35 O ATOM 51585 O5* U 02452 123.850 102.505 57.839 1.00737.35 O ATOM 51586 C5* U 02452 122.790 101.571 57.629 1.00737.35 C ATOM 51587 C4* U 02452 121.875 102.057 56.526 1.00737.35 C ATOM 51588 O4* U 02452 121.190 103.259 56.965 1.00737.35 O ATOM 51589 C3* U 02452 122.557 102.462 55.228 1.00737.35 C ATOM 51590 O3* U 02452 122.788 101.336 54.390 1.00737.35 O ATOM 51591 C2* U 02452 121.543 103.422 54.617 1.00737.35 C ATOM 51592 O2* U 02452 120.488 102.763 53.947 1.00737.35 O ATOM 51593 C1* U 02452 121.004 104.133 55.861 1.00737.35 C ATOM 51594 N1 U 02452 121.678 105.411 56.152 1.00737.35 N ATOM 51595 C2 U 02452 121.186 106.556 55.539 1.00737.35 C ATOM 51596 O2 U 02452 120.226 106.549 54.782 1.00737.35 O ATOM 51597 N3 U 02452 121.857 107.713 55.851 1.00737.35 N ATOM 51598 C4 U 02452 122.947 107.843 56.687 1.00737.35 C ATOM 51599 O4 U 02452 123.443 108.957 56.865 1.00737.35 O ATOM 51600 C5 U 02452 123.398 106.620 57.278 1.00737.35 C ATOM 51601 C6 U 02452 122.764 105.476 56.999 1.00737.35 C ATOM 51602 P C 02453 124.181 101.208 53.591 1.00737.35 P ATOM 51603 O1P C 02453 124.024 100.103 52.611 1.00737.35 O ATOM 51604 O2P C 02453 125.282 101.156 54.584 1.00737.35 O ATOM 51605 O5* C 02453 124.296 102.579 52.789 1.00737.35 O ATOM 51606 C5* C 02453 123.384 102.902 51.740 1.00737.35 C ATOM 51607 C4* C 02453 123.653 104.297 51.224 1.00737.35 C ATOM 51608 O4* C 02453 123.412 105.256 52.286 1.00737.35 O ATOM 51609 C3* C 02453 125.083 104.572 50.785 1.00737.35 C ATOM 51610 O3* C 02453 125.295 104.161 49.437 1.00737.35 O ATOM 51611 C2* C 02453 125.181 106.088 50.932 1.00737.35 C ATOM 51612 O2* C 02453 124.619 106.790 49.842 1.00737.35 O ATOM 51613 C1* C 02453 124.343 106.324 52.192 1.00737.35 C ATOM 51614 N1 C 02453 125.144 106.368 53.433 1.00737.35 N ATOM 51615 C2 C 02453 125.694 107.594 53.845 1.00737.35 C ATOM 51616 O2 C 02453 125.496 108.611 53.158 1.00737.35 O ATOM 51617 N3 C 02453 126.429 107.639 54.981 1.00737.35 N ATOM 51618 C4 C 02453 126.624 106.527 55.695 1.00737.35 C ATOM 51619 N4 C 02453 127.356 106.618 56.808 1.00737.35 N ATOM 51620 C5 C 02453 126.079 105.272 55.300 1.00737.35 C ATOM 51621 C6 C 02453 125.353 105.238 54.176 1.00737.35 C ATOM 51622 P C 02454 126.627 103.350 49.053 1.00737.35 P ATOM 51623 O1P C 02454 126.696 103.283 47.570 1.00737.35 O ATOM 51624 O2P C 02454 126.647 102.091 49.844 1.00737.35 O ATOM 51625 O5* C 02454 127.817 104.281 49.566 1.00737.35 O ATOM 51626 C5* C 02454 128.116 105.518 48.922 1.00737.35 C ATOM 51627 C4* C 02454 129.304 106.180 49.584 1.00737.35 C ATOM 51628 O4* C 02454 128.959 106.535 50.948 1.00737.35 O ATOM 51629 C3* C 02454 130.546 105.312 49.714 1.00737.35 C ATOM 51630 O3* C 02454 131.337 105.372 48.529 1.00737.35 O ATOM 51631 C2* C 02454 131.263 105.947 50.900 1.00737.35 C ATOM 51632 O2* C 02454 132.015 107.092 50.553 1.00737.35 O ATOM 51633 C1* C 02454 130.086 106.348 51.791 1.00737.35 C ATOM 51634 N1 C 02454 129.748 105.338 52.815 1.00737.35 N ATOM 51635 C2 C 02454 130.417 105.373 54.051 1.00737.35 C ATOM 51636 O2 C 02454 131.272 106.253 54.258 1.00737.35 O ATOM 51637 N3 C 02454 130.113 104.447 54.989 1.00737.35 N ATOM 51638 C4 C 02454 129.189 103.518 54.738 1.00737.35 C ATOM 51639 N4 C 02454 128.922 102.625 55.692 1.00737.35 N ATOM 51640 C5 C 02454 128.496 103.460 53.493 1.00737.35 C ATOM 51641 C6 C 02454 128.804 104.379 52.571 1.00737.35 C ATOM 51642 P A 02455 131.631 104.026 47.698 1.00737.35 P ATOM 51643 O1P A 02455 132.810 104.291 46.832 1.00737.35 O ATOM 51644 O2P A 02455 130.356 103.575 47.083 1.00737.35 O ATOM 51645 O5* A 02455 132.051 102.964 48.809 1.00737.35 O ATOM 51646 C5* A 02455 133.203 103.169 49.627 1.00737.35 C ATOM 51647 C4* A 02455 133.024 102.477 50.957 1.00737.35 C ATOM 51648 O4* A 02455 132.720 101.076 50.728 1.00737.35 O ATOM 51649 C3* A 02455 134.245 102.449 51.865 1.00737.35 C ATOM 51650 O3* A 02455 134.343 103.647 52.632 1.00737.35 O ATOM 51651 C2* A 02455 133.959 101.243 52.752 1.00737.35 C ATOM 51652 O2* A 02455 133.078 101.537 53.818 1.00737.35 O ATOM 51653 C1* A 02455 133.277 100.291 51.767 1.00737.35 C ATOM 51654 N9 A 02455 134.187 99.309 51.178 1.00737.35 N ATOM 51655 C8 A 02455 134.893 99.388 49.999 1.00737.35 C ATOM 51656 N7 A 02455 135.625 98.331 49.746 1.00737.35 N ATOM 51657 C5 A 02455 135.388 97.496 50.830 1.00737.35 C ATOM 51658 C6 A 02455 135.865 96.216 51.162 1.00737.35 C ATOM 51659 N6 A 02455 136.715 95.524 50.399 1.00737.35 N ATOM 51660 N1 A 02455 135.434 95.663 52.316 1.00737.35 N ATOM 51661 C2 A 02455 134.579 96.358 53.078 1.00737.35 C ATOM 51662 N3 A 02455 134.058 97.564 52.874 1.00737.35 N ATOM 51663 C4 A 02455 134.507 98.086 51.719 1.00737.35 C ATOM 51664 P U 02456 135.791 104.206 53.062 1.00737.35 P ATOM 51665 O1P U 02456 135.562 105.404 53.910 1.00737.35 O ATOM 51666 O2P U 02456 136.624 104.323 51.838 1.00737.35 O ATOM 51667 O5* U 02456 136.405 103.056 53.981 1.00737.35 O ATOM 51668 C5* U 02456 135.695 102.562 55.117 1.00737.35 C ATOM 51669 C4* U 02456 136.423 101.388 55.733 1.00737.35 C ATOM 51670 O4* U 02456 136.627 100.367 54.720 1.00737.35 O ATOM 51671 C3* U 02456 137.817 101.672 56.273 1.00737.35 C ATOM 51672 O3* U 02456 137.730 102.147 57.611 1.00737.35 O ATOM 51673 C2* U 02456 138.472 100.296 56.221 1.00737.35 C ATOM 51674 O2* U 02456 138.135 99.475 57.321 1.00737.35 O ATOM 51675 C1* U 02456 137.867 99.714 54.940 1.00737.35 C ATOM 51676 N1 U 02456 138.716 99.898 53.750 1.00737.35 N ATOM 51677 C2 U 02456 139.705 98.952 53.503 1.00737.35 C ATOM 51678 O2 U 02456 139.897 97.982 54.221 1.00737.35 O ATOM 51679 N3 U 02456 140.460 99.189 52.381 1.00737.35 N ATOM 51680 C4 U 02456 140.336 100.242 51.500 1.00737.35 C ATOM 51681 O4 U 02456 141.094 100.314 50.533 1.00737.35 O ATOM 51682 C5 U 02456 139.298 101.170 51.821 1.00737.35 C ATOM 51683 C6 U 02456 138.544 100.973 52.906 1.00737.35 C ATOM 51684 P A 02457 138.718 103.311 58.117 1.00737.35 P ATOM 51685 O1P A 02457 138.470 104.527 57.298 1.00737.35 O ATOM 51686 O2P A 02457 140.086 102.740 58.187 1.00737.35 O ATOM 51687 O5* A 02457 138.220 103.597 59.602 1.00737.35 O ATOM 51688 C5* A 02457 138.813 104.621 60.398 1.00737.35 C ATOM 51689 C4* A 02457 138.092 104.734 61.723 1.00737.35 C ATOM 51690 O4* A 02457 136.711 105.115 61.483 1.00737.35 O ATOM 51691 C3* A 02457 137.997 103.448 62.527 1.00737.35 C ATOM 51692 O3* A 02457 139.166 103.251 63.318 1.00737.35 O ATOM 51693 C2* A 02457 136.762 103.688 63.386 1.00737.35 C ATOM 51694 O2* A 02457 137.025 104.478 64.529 1.00737.35 O ATOM 51695 C1* A 02457 135.865 104.464 62.420 1.00737.35 C ATOM 51696 N9 A 02457 134.926 103.615 61.685 1.00737.35 N ATOM 51697 C8 A 02457 135.114 103.001 60.470 1.00737.35 C ATOM 51698 N7 A 02457 134.086 102.298 60.066 1.00737.35 N ATOM 51699 C5 A 02457 133.156 102.456 61.083 1.00737.35 C ATOM 51700 C6 A 02457 131.850 101.961 61.256 1.00737.35 C ATOM 51701 N6 A 02457 131.235 101.169 60.374 1.00737.35 N ATOM 51702 N1 A 02457 131.191 102.308 62.383 1.00737.35 N ATOM 51703 C2 A 02457 131.808 103.102 63.267 1.00737.35 C ATOM 51704 N3 A 02457 133.030 103.631 63.216 1.00737.35 N ATOM 51705 C4 A 02457 133.658 103.265 62.085 1.00737.35 C ATOM 51706 P U 02458 139.908 101.824 63.306 1.00737.35 P ATOM 51707 O1P U 02458 141.001 101.868 64.312 1.00737.35 O ATOM 51708 O2P U 02458 140.227 101.500 61.893 1.00737.35 O ATOM 51709 O5* U 02458 138.797 100.808 63.824 1.00737.35 O ATOM 51710 C5* U 02458 138.816 99.436 63.433 1.00737.35 C ATOM 51711 C4* U 02458 137.565 98.736 63.909 1.00737.35 C ATOM 51712 O4* U 02458 136.400 99.488 63.477 1.00737.35 O ATOM 51713 C3* U 02458 137.351 97.338 63.349 1.00737.35 C ATOM 51714 O3* U 02458 138.042 96.365 64.131 1.00737.35 O ATOM 51715 C2* U 02458 135.839 97.181 63.437 1.00737.35 C ATOM 51716 O2* U 02458 135.388 96.832 64.732 1.00737.35 O ATOM 51717 C1* U 02458 135.367 98.595 63.088 1.00737.35 C ATOM 51718 N1 U 02458 135.099 98.796 61.653 1.00737.35 N ATOM 51719 C2 U 02458 133.837 98.467 61.171 1.00737.35 C ATOM 51720 O2 U 02458 132.947 98.023 61.879 1.00737.35 O ATOM 51721 N3 U 02458 133.659 98.683 59.827 1.00737.35 N ATOM 51722 C4 U 02458 134.588 99.181 58.933 1.00737.35 C ATOM 51723 O4 U 02458 134.272 99.338 57.754 1.00737.35 O ATOM 51724 C5 U 02458 135.861 99.489 59.504 1.00737.35 C ATOM 51725 C6 U 02458 136.068 99.293 60.808 1.00737.35 C ATOM 51726 P C 02459 138.540 94.998 63.445 1.00737.35 P ATOM 51727 O1P C 02459 139.383 94.272 64.428 1.00737.35 O ATOM 51728 O2P C 02459 139.098 95.335 62.109 1.00737.35 O ATOM 51729 O5* C 02459 137.199 94.165 63.221 1.00737.35 O ATOM 51730 C5* C 02459 136.469 93.641 64.330 1.00737.35 C ATOM 51731 C4* C 02459 135.189 92.990 63.860 1.00737.35 C ATOM 51732 O4* C 02459 134.341 93.992 63.238 1.00737.35 O ATOM 51733 C3* C 02459 135.339 91.914 62.796 1.00737.35 C ATOM 51734 O3* C 02459 135.638 90.647 63.375 1.00737.35 O ATOM 51735 C2* C 02459 133.960 91.912 62.148 1.00737.35 C ATOM 51736 O2* C 02459 132.998 91.183 62.885 1.00737.35 O ATOM 51737 C1* C 02459 133.608 93.402 62.172 1.00737.35 C ATOM 51738 N1 C 02459 133.942 94.105 60.916 1.00737.35 N ATOM 51739 C2 C 02459 133.049 94.018 59.832 1.00737.35 C ATOM 51740 O2 C 02459 132.002 93.357 59.958 1.00737.35 O ATOM 51741 N3 C 02459 133.352 94.654 58.677 1.00737.35 N ATOM 51742 C4 C 02459 134.485 95.354 58.575 1.00737.35 C ATOM 51743 N4 C 02459 134.741 95.964 57.417 1.00737.35 N ATOM 51744 C5 C 02459 135.407 95.458 59.657 1.00737.35 C ATOM 51745 C6 C 02459 135.099 94.824 60.796 1.00737.35 C ATOM 51746 P G 02460 136.799 89.729 62.742 1.00737.35 P ATOM 51747 O1P G 02460 136.620 88.342 63.248 1.00737.35 O ATOM 51748 O2P G 02460 138.088 90.430 62.963 1.00737.35 O ATOM 51749 O5* G 02460 136.500 89.731 61.175 1.00737.35 O ATOM 51750 C5* G 02460 135.230 89.325 60.665 1.00737.35 C ATOM 51751 C4* G 02460 135.027 89.875 59.270 1.00737.35 C ATOM 51752 O4* G 02460 135.155 91.322 59.310 1.00737.35 O ATOM 51753 C3* G 02460 136.050 89.435 58.235 1.00737.35 C ATOM 51754 O3* G 02460 135.674 88.191 57.653 1.00737.35 O ATOM 51755 C2* G 02460 135.988 90.567 57.215 1.00737.35 C ATOM 51756 O2* G 02460 134.901 90.449 56.319 1.00737.35 O ATOM 51757 C1* G 02460 135.779 91.781 58.123 1.00737.35 C ATOM 51758 N9 G 02460 137.028 92.453 58.487 1.00737.35 N ATOM 51759 C8 G 02460 137.839 92.178 59.561 1.00737.35 C ATOM 51760 N7 G 02460 138.889 92.949 59.620 1.00737.35 N ATOM 51761 C5 G 02460 138.766 93.787 58.518 1.00737.35 C ATOM 51762 C6 G 02460 139.606 94.834 58.061 1.00737.35 C ATOM 51763 O6 G 02460 140.667 95.243 58.552 1.00737.35 O ATOM 51764 N1 G 02460 139.106 95.423 56.905 1.00737.35 N ATOM 51765 C2 G 02460 137.946 95.054 56.268 1.00737.35 C ATOM 51766 N2 G 02460 137.631 95.746 55.163 1.00737.35 N ATOM 51767 N3 G 02460 137.153 94.080 56.685 1.00737.35 N ATOM 51768 C4 G 02460 137.620 93.492 57.809 1.00737.35 C ATOM 51769 P G 02461 136.806 87.129 57.234 1.00737.35 P ATOM 51770 O1P G 02461 137.392 86.556 58.472 1.00737.35 O ATOM 51771 O2P G 02461 137.691 87.790 56.240 1.00737.35 O ATOM 51772 O5* G 02461 135.992 85.984 56.482 1.00737.35 O ATOM 51773 C5* G 02461 134.949 85.269 57.142 1.00737.35 C ATOM 51774 C4* G 02461 134.204 84.401 56.156 1.00737.35 C ATOM 51775 O4* G 02461 133.552 85.241 55.167 1.00737.35 O ATOM 51776 C3* G 02461 135.064 83.452 55.337 1.00737.35 C ATOM 51777 O3* G 02461 135.317 82.245 56.051 1.00737.35 O ATOM 51778 C2* G 02461 134.205 83.218 54.102 1.00737.35 C ATOM 51779 O2* G 02461 133.188 82.256 54.306 1.00737.35 O ATOM 51780 C1* G 02461 133.576 84.601 53.902 1.00737.35 C ATOM 51781 N9 G 02461 134.318 85.447 52.970 1.00737.35 N ATOM 51782 C8 G 02461 135.426 86.217 53.245 1.00737.35 C ATOM 51783 N7 G 02461 135.872 86.865 52.204 1.00737.35 N ATOM 51784 C5 G 02461 135.007 86.505 51.180 1.00737.35 C ATOM 51785 C6 G 02461 134.989 86.898 49.814 1.00737.35 C ATOM 51786 O6 G 02461 135.756 87.663 49.223 1.00737.35 O ATOM 51787 N1 G 02461 133.939 86.297 49.125 1.00737.35 N ATOM 51788 C2 G 02461 133.025 85.433 49.676 1.00737.35 C ATOM 51789 N2 G 02461 132.086 84.959 48.844 1.00737.35 N ATOM 51790 N3 G 02461 133.029 85.060 50.945 1.00737.35 N ATOM 51791 C4 G 02461 134.043 85.630 51.633 1.00737.35 C ATOM 51792 P C 02462 136.767 81.560 55.964 1.00737.35 P ATOM 51793 O1P C 02462 136.724 80.284 56.727 1.00737.35 O ATOM 51794 O2P C 02462 137.775 82.591 56.320 1.00737.35 O ATOM 51795 O5* C 02462 136.938 81.216 54.417 1.00737.35 O ATOM 51796 C5* C 02462 136.136 80.215 53.795 1.00737.35 C ATOM 51797 C4* C 02462 136.438 80.142 52.317 1.00737.35 C ATOM 51798 O4* C 02462 136.044 81.385 51.679 1.00737.35 O ATOM 51799 C3* C 02462 137.904 79.987 51.949 1.00737.35 C ATOM 51800 O3* C 02462 138.315 78.623 52.017 1.00737.35 O ATOM 51801 C2* C 02462 137.938 80.526 50.525 1.00737.35 C ATOM 51802 O2* C 02462 137.504 79.586 49.563 1.00737.35 O ATOM 51803 C1* C 02462 136.937 81.680 50.614 1.00737.35 C ATOM 51804 N1 C 02462 137.574 82.988 50.874 1.00737.35 N ATOM 51805 C2 C 02462 137.980 83.774 49.782 1.00737.35 C ATOM 51806 O2 C 02462 137.790 83.355 48.628 1.00737.35 O ATOM 51807 N3 C 02462 138.570 84.970 50.013 1.00737.35 N ATOM 51808 C4 C 02462 138.759 85.390 51.266 1.00737.35 C ATOM 51809 N4 C 02462 139.345 86.578 51.447 1.00737.35 N ATOM 51810 C5 C 02462 138.356 84.615 52.393 1.00737.35 C ATOM 51811 C6 C 02462 137.774 83.431 52.153 1.00737.35 C ATOM 51812 P G 02463 139.789 78.260 52.542 1.00737.35 P ATOM 51813 O1P G 02463 140.003 76.802 52.358 1.00737.35 O ATOM 51814 O2P G 02463 139.940 78.858 53.896 1.00737.35 O ATOM 51815 O5* G 02463 140.757 79.042 51.548 1.00737.35 O ATOM 51816 C5* G 02463 140.793 78.719 50.160 1.00737.35 C ATOM 51817 C4* G 02463 141.685 79.685 49.414 1.00737.35 C ATOM 51818 O4* G 02463 141.124 81.023 49.482 1.00737.35 O ATOM 51819 C3* G 02463 143.095 79.851 49.960 1.00737.35 C ATOM 51820 O3* G 02463 143.949 78.808 49.501 1.00737.35 O ATOM 51821 C2* G 02463 143.495 81.210 49.395 1.00737.35 C ATOM 51822 O2* G 02463 143.923 81.150 48.049 1.00737.35 O ATOM 51823 C1* G 02463 142.174 81.978 49.479 1.00737.35 C ATOM 51824 N9 G 02463 142.060 82.805 50.681 1.00737.35 N ATOM 51825 C8 G 02463 141.429 82.485 51.860 1.00737.35 C ATOM 51826 N7 G 02463 141.500 83.433 52.755 1.00737.35 N ATOM 51827 C5 G 02463 142.220 84.443 52.131 1.00737.35 C ATOM 51828 C6 G 02463 142.618 85.722 52.609 1.00737.35 C ATOM 51829 O6 G 02463 142.402 86.235 53.715 1.00737.35 O ATOM 51830 N1 G 02463 143.335 86.425 51.646 1.00737.35 N ATOM 51831 C2 G 02463 143.637 85.962 50.390 1.00737.35 C ATOM 51832 N2 G 02463 144.342 86.793 49.607 1.00737.35 N ATOM 51833 N3 G 02463 143.273 84.774 49.933 1.00737.35 N ATOM 51834 C4 G 02463 142.574 84.072 50.851 1.00737.35 C ATOM 51835 P G 02464 145.255 78.416 50.354 1.00737.35 P ATOM 51836 O1P G 02464 145.885 77.229 49.717 1.00737.35 O ATOM 51837 O2P G 02464 144.865 78.359 51.785 1.00737.35 O ATOM 51838 O5* G 02464 146.229 79.663 50.157 1.00737.35 O ATOM 51839 C5* G 02464 146.678 80.039 48.857 1.00737.35 C ATOM 51840 C4* G 02464 147.480 81.318 48.923 1.00737.35 C ATOM 51841 O4* G 02464 146.638 82.398 49.404 1.00737.35 O ATOM 51842 C3* G 02464 148.661 81.317 49.882 1.00737.35 C ATOM 51843 O3* G 02464 149.802 80.713 49.281 1.00737.35 O ATOM 51844 C2* G 02464 148.866 82.806 50.138 1.00737.35 C ATOM 51845 O2* G 02464 149.585 83.455 49.107 1.00737.35 O ATOM 51846 C1* G 02464 147.422 83.314 50.155 1.00737.35 C ATOM 51847 N9 G 02464 146.859 83.425 51.500 1.00737.35 N ATOM 51848 C8 G 02464 146.103 82.490 52.169 1.00737.35 C ATOM 51849 N7 G 02464 145.747 82.878 53.362 1.00737.35 N ATOM 51850 C5 G 02464 146.300 84.145 53.494 1.00737.35 C ATOM 51851 C6 G 02464 146.251 85.063 54.577 1.00737.35 C ATOM 51852 O6 G 02464 145.693 84.937 55.673 1.00737.35 O ATOM 51853 N1 G 02464 146.949 86.230 54.283 1.00737.35 N ATOM 51854 C2 G 02464 147.610 86.485 53.107 1.00737.35 C ATOM 51855 N2 G 02464 148.226 87.673 53.021 1.00737.35 N ATOM 51856 N3 G 02464 147.662 85.639 52.092 1.00737.35 N ATOM 51857 C4 G 02464 146.989 84.497 52.352 1.00737.35 C ATOM 51858 P G 02465 150.968 80.108 50.210 1.00737.35 P ATOM 51859 O1P G 02465 151.919 79.372 49.339 1.00737.35 O ATOM 51860 O2P G 02465 150.324 79.401 51.349 1.00737.35 O ATOM 51861 O5* G 02465 151.708 81.397 50.783 1.00737.35 O ATOM 51862 C5* G 02465 152.330 82.332 49.906 1.00737.35 C ATOM 51863 C4* G 02465 152.885 83.501 50.685 1.00737.35 C ATOM 51864 O4* G 02465 151.800 84.206 51.343 1.00737.35 O ATOM 51865 C3* G 02465 153.841 83.154 51.814 1.00737.35 C ATOM 51866 O3* G 02465 155.163 82.958 51.320 1.00737.35 O ATOM 51867 C2* G 02465 153.739 84.383 52.711 1.00737.35 C ATOM 51868 O2* G 02465 154.533 85.463 52.260 1.00737.35 O ATOM 51869 C1* G 02465 152.257 84.741 52.574 1.00737.35 C ATOM 51870 N9 G 02465 151.425 84.213 53.655 1.00737.35 N ATOM 51871 C8 G 02465 150.698 83.046 53.654 1.00737.35 C ATOM 51872 N7 G 02465 150.049 82.844 54.768 1.00737.35 N ATOM 51873 C5 G 02465 150.367 83.943 55.557 1.00737.35 C ATOM 51874 C6 G 02465 149.960 84.279 56.876 1.00737.35 C ATOM 51875 O6 G 02465 149.209 83.655 57.636 1.00737.35 O ATOM 51876 N1 G 02465 150.518 85.482 57.291 1.00737.35 N ATOM 51877 C2 G 02465 151.361 86.263 56.541 1.00737.35 C ATOM 51878 N2 G 02465 151.799 87.391 57.122 1.00737.35 N ATOM 51879 N3 G 02465 151.749 85.963 55.311 1.00737.35 N ATOM 51880 C4 G 02465 151.216 84.797 54.884 1.00737.35 C ATOM 51881 P G 02466 156.228 82.132 52.198 1.00737.35 P ATOM 51882 O1P G 02466 157.514 82.102 51.455 1.00737.35 O ATOM 51883 O2P G 02466 155.585 80.856 52.605 1.00737.35 O ATOM 51884 O5* G 02466 156.425 83.037 53.494 1.00737.35 O ATOM 51885 C5* G 02466 156.971 82.497 54.695 1.00737.35 C ATOM 51886 C4* G 02466 156.999 83.556 55.772 1.00737.35 C ATOM 51887 O4* G 02466 155.666 84.106 55.939 1.00737.35 O ATOM 51888 C3* G 02466 157.391 83.074 57.158 1.00737.35 C ATOM 51889 O3* G 02466 158.808 83.047 57.301 1.00737.35 O ATOM 51890 C2* G 02466 156.743 84.120 58.059 1.00737.35 C ATOM 51891 O2* G 02466 157.502 85.307 58.170 1.00737.35 O ATOM 51892 C1* G 02466 155.442 84.410 57.306 1.00737.35 C ATOM 51893 N9 G 02466 154.297 83.630 57.773 1.00737.35 N ATOM 51894 C8 G 02466 153.817 82.455 57.243 1.00737.35 C ATOM 51895 N7 G 02466 152.768 82.000 57.871 1.00737.35 N ATOM 51896 C5 G 02466 152.542 82.926 58.881 1.00737.35 C ATOM 51897 C6 G 02466 151.539 82.964 59.885 1.00737.35 C ATOM 51898 O6 G 02466 150.620 82.161 60.089 1.00737.35 O ATOM 51899 N1 G 02466 151.682 84.079 60.704 1.00737.35 N ATOM 51900 C2 G 02466 152.658 85.035 60.577 1.00737.35 C ATOM 51901 N2 G 02466 152.628 86.032 61.470 1.00737.35 N ATOM 51902 N3 G 02466 153.595 85.013 59.644 1.00737.35 N ATOM 51903 C4 G 02466 153.479 83.937 58.835 1.00737.35 C ATOM 51904 P A 02467 159.483 82.130 58.438 1.00737.35 P ATOM 51905 O1P A 02467 160.952 82.132 58.217 1.00737.35 O ATOM 51906 O2P A 02467 158.750 80.835 58.473 1.00737.35 O ATOM 51907 O5* A 02467 159.175 82.907 59.791 1.00737.35 O ATOM 51908 C5* A 02467 159.776 84.173 60.067 1.00737.35 C ATOM 51909 C4* A 02467 159.180 84.778 61.318 1.00737.35 C ATOM 51910 O4* A 02467 157.768 85.036 61.099 1.00737.35 O ATOM 51911 C3* A 02467 159.223 83.896 62.556 1.00737.35 C ATOM 51912 O3* A 02467 160.470 84.027 63.232 1.00737.35 O ATOM 51913 C2* A 02467 158.062 84.438 63.381 1.00737.35 C ATOM 51914 O2* A 02467 158.391 85.613 64.098 1.00737.35 O ATOM 51915 C1* A 02467 157.041 84.766 62.289 1.00737.35 C ATOM 51916 N9 A 02467 156.105 83.672 62.015 1.00737.35 N ATOM 51917 C8 A 02467 156.208 82.694 61.056 1.00737.35 C ATOM 51918 N7 A 02467 155.207 81.852 61.047 1.00737.35 N ATOM 51919 C5 A 02467 154.386 82.300 62.072 1.00737.35 C ATOM 51920 C6 A 02467 153.159 81.831 62.572 1.00737.35 C ATOM 51921 N6 A 02467 152.520 80.765 62.081 1.00737.35 N ATOM 51922 N1 A 02467 152.604 82.502 63.606 1.00737.35 N ATOM 51923 C2 A 02467 153.247 83.570 64.092 1.00737.35 C ATOM 51924 N3 A 02467 154.401 84.110 63.706 1.00737.35 N ATOM 51925 C4 A 02467 154.926 83.418 62.679 1.00737.35 C ATOM 51926 P G 02468 161.026 82.808 64.123 1.00737.35 P ATOM 51927 O1P G 02468 162.365 83.191 64.644 1.00737.35 O ATOM 51928 O2P G 02468 160.877 81.562 63.328 1.00737.35 O ATOM 51929 O5* G 02468 160.010 82.733 65.351 1.00737.35 O ATOM 51930 C5* G 02468 159.993 83.748 66.353 1.00737.35 C ATOM 51931 C4* G 02468 158.878 83.492 67.341 1.00737.35 C ATOM 51932 O4* G 02468 157.599 83.611 66.664 1.00737.35 O ATOM 51933 C3* G 02468 158.855 82.102 67.959 1.00737.35 C ATOM 51934 O3* G 02468 159.719 82.033 69.088 1.00737.35 O ATOM 51935 C2* G 02468 157.391 81.948 68.355 1.00737.35 C ATOM 51936 O2* G 02468 157.080 82.575 69.585 1.00737.35 O ATOM 51937 C1* G 02468 156.682 82.673 67.209 1.00737.35 C ATOM 51938 N9 G 02468 156.236 81.784 66.139 1.00737.35 N ATOM 51939 C8 G 02468 156.823 81.605 64.908 1.00737.35 C ATOM 51940 N7 G 02468 156.187 80.746 64.157 1.00737.35 N ATOM 51941 C5 G 02468 155.118 80.331 64.937 1.00737.35 C ATOM 51942 C6 G 02468 154.081 79.405 64.654 1.00737.35 C ATOM 51943 O6 G 02468 153.893 78.751 63.623 1.00737.35 O ATOM 51944 N1 G 02468 153.206 79.275 65.727 1.00737.35 N ATOM 51945 C2 G 02468 153.311 79.949 66.919 1.00737.35 C ATOM 51946 N2 G 02468 152.368 79.680 67.835 1.00737.35 N ATOM 51947 N3 G 02468 154.271 80.816 67.195 1.00737.35 N ATOM 51948 C4 G 02468 155.134 80.958 66.166 1.00737.35 C ATOM 51949 P G 02469 160.519 80.671 69.397 1.00737.35 P ATOM 51950 O1P G 02469 161.193 80.818 70.712 1.00737.35 O ATOM 51951 O2P G 02469 161.324 80.344 68.192 1.00737.35 O ATOM 51952 O5* G 02469 159.374 79.573 69.537 1.00737.35 O ATOM 51953 C5* G 02469 158.410 79.645 70.585 1.00737.35 C ATOM 51954 C4* G 02469 157.297 78.649 70.347 1.00737.35 C ATOM 51955 O4* G 02469 156.599 78.999 69.126 1.00737.35 O ATOM 51956 C3* G 02469 157.742 77.210 70.134 1.00737.35 C ATOM 51957 O3* G 02469 157.877 76.532 71.380 1.00737.35 O ATOM 51958 C2* G 02469 156.581 76.624 69.335 1.00737.35 C ATOM 51959 O2* G 02469 155.502 76.218 70.150 1.00737.35 O ATOM 51960 C1* G 02469 156.154 77.820 68.479 1.00737.35 C ATOM 51961 N9 G 02469 156.687 77.802 67.119 1.00737.35 N ATOM 51962 C8 G 02469 157.845 78.390 66.665 1.00737.35 C ATOM 51963 N7 G 02469 158.047 78.208 65.388 1.00737.35 N ATOM 51964 C5 G 02469 156.958 77.452 64.973 1.00737.35 C ATOM 51965 C6 G 02469 156.625 76.950 63.688 1.00737.35 C ATOM 51966 O6 G 02469 157.247 77.078 62.626 1.00737.35 O ATOM 51967 N1 G 02469 155.432 76.236 63.713 1.00737.35 N ATOM 51968 C2 G 02469 154.657 76.030 64.826 1.00737.35 C ATOM 51969 N2 G 02469 153.538 75.313 64.646 1.00737.35 N ATOM 51970 N3 G 02469 154.956 76.492 66.029 1.00737.35 N ATOM 51971 C4 G 02469 156.111 77.190 66.028 1.00737.35 C ATOM 51972 P U 02470 159.199 76.743 72.277 1.00737.35 P ATOM 51973 O1P U 02470 160.257 77.340 71.420 1.00737.35 O ATOM 51974 O2P U 02470 159.466 75.469 72.992 1.00737.35 O ATOM 51975 O5* U 02470 158.746 77.847 73.336 1.00737.35 O ATOM 51976 C5* U 02470 158.710 77.555 74.734 1.00737.35 C ATOM 51977 C4* U 02470 157.291 77.633 75.256 1.00737.35 C ATOM 51978 O4* U 02470 156.809 78.998 75.184 1.00737.35 O ATOM 51979 C3* U 02470 156.252 76.831 74.489 1.00737.35 C ATOM 51980 O3* U 02470 156.258 75.472 74.917 1.00737.35 O ATOM 51981 C2* U 02470 154.947 77.534 74.866 1.00737.35 C ATOM 51982 O2* U 02470 154.407 77.083 76.091 1.00737.35 O ATOM 51983 C1* U 02470 155.401 78.992 75.012 1.00737.35 C ATOM 51984 N1 U 02470 155.043 79.865 73.882 1.00737.35 N ATOM 51985 C2 U 02470 153.715 80.260 73.764 1.00737.35 C ATOM 51986 O2 U 02470 152.844 79.913 74.547 1.00737.35 O ATOM 51987 N3 U 02470 153.446 81.079 72.694 1.00737.35 N ATOM 51988 C4 U 02470 154.341 81.534 71.751 1.00737.35 C ATOM 51989 O4 U 02470 153.943 82.267 70.843 1.00737.35 O ATOM 51990 C5 U 02470 155.685 81.085 71.938 1.00737.35 C ATOM 51991 C6 U 02470 155.983 80.286 72.968 1.00737.35 C ATOM 51992 P U 02471 155.759 74.312 73.917 1.00737.35 P ATOM 51993 O1P U 02471 156.112 73.012 74.546 1.00737.35 O ATOM 51994 O2P U 02471 156.248 74.616 72.546 1.00737.35 O ATOM 51995 O5* U 02471 154.171 74.444 73.920 1.00737.35 O ATOM 51996 C5* U 02471 153.436 74.421 75.141 1.00737.35 C ATOM 51997 C4* U 02471 151.983 74.101 74.877 1.00737.35 C ATOM 51998 O4* U 02471 151.428 75.101 73.980 1.00737.35 O ATOM 51999 C3* U 02471 151.717 72.779 74.172 1.00737.35 C ATOM 52000 O3* U 02471 151.668 71.705 75.106 1.00737.35 O ATOM 52001 C2* U 02471 150.361 73.027 73.523 1.00737.35 C ATOM 52002 O2* U 02471 149.279 72.882 74.421 1.00737.35 O ATOM 52003 C1* U 02471 150.493 74.493 73.104 1.00737.35 C ATOM 52004 N1 U 02471 150.968 74.661 71.719 1.00737.35 N ATOM 52005 C2 U 02471 150.017 74.714 70.708 1.00737.35 C ATOM 52006 O2 U 02471 148.816 74.637 70.915 1.00737.35 O ATOM 52007 N3 U 02471 150.528 74.860 69.441 1.00737.35 N ATOM 52008 C4 U 02471 151.857 74.958 69.084 1.00737.35 C ATOM 52009 O4 U 02471 152.160 75.084 67.896 1.00737.35 O ATOM 52010 C5 U 02471 152.774 74.897 70.180 1.00737.35 C ATOM 52011 C6 U 02471 152.312 74.755 71.425 1.00737.35 C ATOM 52012 P U 02472 152.137 70.233 74.655 1.00737.35 P ATOM 52013 O1P U 02472 151.955 69.336 75.825 1.00737.35 O ATOM 52014 O2P U 02472 153.473 70.341 74.015 1.00737.35 O ATOM 52015 O5* U 02472 151.083 69.817 73.536 1.00737.35 O ATOM 52016 C5* U 02472 149.709 69.608 73.863 1.00737.35 C ATOM 52017 C4* U 02472 149.019 68.836 72.760 1.00737.35 C ATOM 52018 O4* U 02472 149.002 69.632 71.548 1.00737.35 O ATOM 52019 C3* U 02472 149.689 67.535 72.350 1.00737.35 C ATOM 52020 O3* U 02472 149.301 66.466 73.208 1.00737.35 O ATOM 52021 C2* U 02472 149.183 67.342 70.926 1.00737.35 C ATOM 52022 O2* U 02472 147.887 66.780 70.867 1.00737.35 O ATOM 52023 C1* U 02472 149.146 68.785 70.417 1.00737.35 C ATOM 52024 N1 U 02472 150.351 69.188 69.673 1.00737.35 N ATOM 52025 C2 U 02472 150.425 68.865 68.322 1.00737.35 C ATOM 52026 O2 U 02472 149.542 68.258 67.734 1.00737.35 O ATOM 52027 N3 U 02472 151.570 69.279 67.687 1.00737.35 N ATOM 52028 C4 U 02472 152.628 69.967 68.248 1.00737.35 C ATOM 52029 O4 U 02472 153.587 70.284 67.544 1.00737.35 O ATOM 52030 C5 U 02472 152.483 70.257 69.640 1.00737.35 C ATOM 52031 C6 U 02472 151.381 69.868 70.290 1.00737.35 C ATOM 52032 P G 02473 150.284 65.207 73.406 1.00737.35 P ATOM 52033 O1P G 02473 149.572 64.221 74.262 1.00737.35 O ATOM 52034 O2P G 02473 151.615 65.715 73.825 1.00737.35 O ATOM 52035 O5* G 02473 150.405 64.592 71.942 1.00737.35 O ATOM 52036 C5* G 02473 151.564 63.863 71.544 1.00737.35 C ATOM 52037 C4* G 02473 151.651 63.815 70.038 1.00737.35 C ATOM 52038 O4* G 02473 151.618 65.168 69.512 1.00737.35 O ATOM 52039 C3* G 02473 152.934 63.221 69.475 1.00737.35 C ATOM 52040 O3* G 02473 152.858 61.801 69.407 1.00737.35 O ATOM 52041 C2* G 02473 153.003 63.860 68.093 1.00737.35 C ATOM 52042 O2* G 02473 152.170 63.222 67.143 1.00737.35 O ATOM 52043 C1* G 02473 152.470 65.265 68.382 1.00737.35 C ATOM 52044 N9 G 02473 153.524 66.237 68.677 1.00737.35 N ATOM 52045 C8 G 02473 153.755 66.874 69.875 1.00737.35 C ATOM 52046 N7 G 02473 154.772 67.693 69.832 1.00737.35 N ATOM 52047 C5 G 02473 155.242 67.590 68.529 1.00737.35 C ATOM 52048 C6 G 02473 156.331 68.241 67.892 1.00737.35 C ATOM 52049 O6 G 02473 157.120 69.067 68.365 1.00737.35 O ATOM 52050 N1 G 02473 156.456 67.842 66.564 1.00737.35 N ATOM 52051 C2 G 02473 155.642 66.938 65.931 1.00737.35 C ATOM 52052 N2 G 02473 155.925 66.685 64.645 1.00737.35 N ATOM 52053 N3 G 02473 154.624 66.325 66.513 1.00737.35 N ATOM 52054 C4 G 02473 154.484 66.696 67.804 1.00737.35 C ATOM 52055 P G 02474 154.208 60.927 69.428 1.00737.35 P ATOM 52056 O1P G 02474 153.808 59.497 69.378 1.00737.35 O ATOM 52057 O2P G 02474 155.066 61.409 70.539 1.00737.35 O ATOM 52058 O5* G 02474 154.922 61.293 68.051 1.00737.35 O ATOM 52059 C5* G 02474 154.292 61.013 66.801 1.00737.35 C ATOM 52060 C4* G 02474 155.119 61.551 65.658 1.00737.35 C ATOM 52061 O4* G 02474 155.207 62.997 65.757 1.00737.35 O ATOM 52062 C3* G 02474 156.569 61.096 65.617 1.00737.35 C ATOM 52063 O3* G 02474 156.690 59.816 65.003 1.00737.35 O ATOM 52064 C2* G 02474 157.223 62.194 64.786 1.00737.35 C ATOM 52065 O2* G 02474 157.016 62.041 63.397 1.00737.35 O ATOM 52066 C1* G 02474 156.473 63.432 65.282 1.00737.35 C ATOM 52067 N9 G 02474 157.164 64.132 66.366 1.00737.35 N ATOM 52068 C8 G 02474 156.847 64.113 67.702 1.00737.35 C ATOM 52069 N7 G 02474 157.650 64.839 68.431 1.00737.35 N ATOM 52070 C5 G 02474 158.552 65.370 67.523 1.00737.35 C ATOM 52071 C6 G 02474 159.657 66.239 67.726 1.00737.35 C ATOM 52072 O6 G 02474 160.065 66.730 68.785 1.00737.35 O ATOM 52073 N1 G 02474 160.306 66.525 66.532 1.00737.35 N ATOM 52074 C2 G 02474 159.947 66.046 65.298 1.00737.35 C ATOM 52075 N2 G 02474 160.707 66.441 64.264 1.00737.35 N ATOM 52076 N3 G 02474 158.918 65.238 65.093 1.00737.35 N ATOM 52077 C4 G 02474 158.269 64.942 66.243 1.00737.35 C ATOM 52078 P C 02475 157.943 58.875 65.364 1.00737.35 P ATOM 52079 O1P C 02475 157.774 57.605 64.612 1.00737.35 O ATOM 52080 O2P C 02475 158.093 58.836 66.841 1.00737.35 O ATOM 52081 O5* C 02475 159.193 59.653 64.756 1.00737.35 O ATOM 52082 C5* C 02475 159.245 59.986 63.370 1.00737.35 C ATOM 52083 C4* C 02475 160.404 60.912 63.092 1.00737.35 C ATOM 52084 O4* C 02475 160.225 62.155 63.821 1.00737.35 O ATOM 52085 C3* C 02475 161.769 60.414 63.543 1.00737.35 C ATOM 52086 O3* C 02475 162.333 59.548 62.563 1.00737.35 O ATOM 52087 C2* C 02475 162.561 61.713 63.663 1.00737.35 C ATOM 52088 O2* C 02475 163.062 62.164 62.420 1.00737.35 O ATOM 52089 C1* C 02475 161.494 62.687 64.168 1.00737.35 C ATOM 52090 N1 C 02475 161.538 62.934 65.625 1.00737.35 N ATOM 52091 C2 C 02475 162.463 63.870 66.128 1.00737.35 C ATOM 52092 O2 C 02475 163.227 64.457 65.340 1.00737.35 O ATOM 52093 N3 C 02475 162.502 64.109 67.458 1.00737.35 N ATOM 52094 C4 C 02475 161.673 63.463 68.279 1.00737.35 C ATOM 52095 N4 C 02475 161.743 63.743 69.583 1.00737.35 N ATOM 52096 C5 C 02475 160.729 62.505 67.800 1.00737.35 C ATOM 52097 C6 C 02475 160.698 62.274 66.480 1.00737.35 C ATOM 52098 P A 02476 162.849 58.085 62.985 1.00737.35 P ATOM 52099 O1P A 02476 163.486 57.475 61.793 1.00737.35 O ATOM 52100 O2P A 02476 161.731 57.379 63.661 1.00737.35 O ATOM 52101 O5* A 02476 163.984 58.359 64.069 1.00737.35 O ATOM 52102 C5* A 02476 164.889 59.453 63.931 1.00737.35 C ATOM 52103 C4* A 02476 165.265 59.991 65.290 1.00737.35 C ATOM 52104 O4* A 02476 164.057 60.371 65.999 1.00737.35 O ATOM 52105 C3* A 02476 165.957 58.995 66.208 1.00737.35 C ATOM 52106 O3* A 02476 167.358 59.031 65.952 1.00737.35 O ATOM 52107 C2* A 02476 165.602 59.514 67.601 1.00737.35 C ATOM 52108 O2* A 02476 166.468 60.529 68.061 1.00737.35 O ATOM 52109 C1* A 02476 164.199 60.085 67.378 1.00737.35 C ATOM 52110 N9 A 02476 163.112 59.189 67.775 1.00737.35 N ATOM 52111 C8 A 02476 162.684 58.043 67.146 1.00737.35 C ATOM 52112 N7 A 02476 161.678 57.456 67.747 1.00737.35 N ATOM 52113 C5 A 02476 161.426 58.266 68.845 1.00737.35 C ATOM 52114 C6 A 02476 160.477 58.189 69.879 1.00737.35 C ATOM 52115 N6 A 02476 159.565 57.219 69.978 1.00737.35 N ATOM 52116 N1 A 02476 160.494 59.157 70.820 1.00737.35 N ATOM 52117 C2 A 02476 161.408 60.132 70.721 1.00737.35 C ATOM 52118 N3 A 02476 162.348 60.313 69.797 1.00737.35 N ATOM 52119 C4 A 02476 162.303 59.334 68.877 1.00737.35 C ATOM 52120 P C 02477 168.360 58.080 66.775 1.00737.35 P ATOM 52121 O1P C 02477 169.065 57.234 65.777 1.00737.35 O ATOM 52122 O2P C 02477 167.631 57.431 67.896 1.00737.35 O ATOM 52123 O5* C 02477 169.405 59.109 67.401 1.00737.35 O ATOM 52124 C5* C 02477 170.706 59.280 66.837 1.00737.35 C ATOM 52125 C4* C 02477 171.410 60.458 67.480 1.00737.35 C ATOM 52126 O4* C 02477 170.865 61.708 66.983 1.00737.35 O ATOM 52127 C3* C 02477 171.279 60.564 68.989 1.00737.35 C ATOM 52128 O3* C 02477 172.205 59.705 69.645 1.00737.35 O ATOM 52129 C2* C 02477 171.569 62.041 69.233 1.00737.35 C ATOM 52130 O2* C 02477 172.951 62.340 69.251 1.00737.35 O ATOM 52131 C1* C 02477 170.916 62.692 68.009 1.00737.35 C ATOM 52132 N1 C 02477 169.550 63.214 68.242 1.00737.35 N ATOM 52133 C2 C 02477 169.350 64.220 69.212 1.00737.35 C ATOM 52134 O2 C 02477 170.325 64.659 69.850 1.00737.35 O ATOM 52135 N3 C 02477 168.100 64.688 69.425 1.00737.35 N ATOM 52136 C4 C 02477 167.074 64.201 68.723 1.00737.35 C ATOM 52137 N4 C 02477 165.857 64.682 68.981 1.00737.35 N ATOM 52138 C5 C 02477 167.249 63.195 67.732 1.00737.35 C ATOM 52139 C6 C 02477 168.488 62.732 67.527 1.00737.35 C ATOM 52140 P C 02478 172.021 59.383 71.209 1.00737.35 P ATOM 52141 O1P C 02478 172.823 58.165 71.502 1.00737.35 O ATOM 52142 O2P C 02478 170.574 59.406 71.545 1.00737.35 O ATOM 52143 O5* C 02478 172.718 60.619 71.930 1.00737.35 O ATOM 52144 C5* C 02478 174.087 60.928 71.685 1.00737.35 C ATOM 52145 C4* C 02478 174.637 61.799 72.787 1.00737.35 C ATOM 52146 O4* C 02478 173.985 63.096 72.760 1.00737.35 O ATOM 52147 C3* C 02478 174.394 61.300 74.200 1.00737.35 C ATOM 52148 O3* C 02478 175.355 60.318 74.568 1.00737.35 O ATOM 52149 C2* C 02478 174.537 62.581 75.016 1.00737.35 C ATOM 52150 O2* C 02478 175.884 62.935 75.239 1.00737.35 O ATOM 52151 C1* C 02478 173.891 63.608 74.082 1.00737.35 C ATOM 52152 N1 C 02478 172.473 63.884 74.388 1.00737.35 N ATOM 52153 C2 C 02478 172.165 64.846 75.368 1.00737.35 C ATOM 52154 O2 C 02478 173.091 65.440 75.946 1.00737.35 O ATOM 52155 N3 C 02478 170.867 65.101 75.655 1.00737.35 N ATOM 52156 C4 C 02478 169.898 64.446 75.013 1.00737.35 C ATOM 52157 N4 C 02478 168.634 64.731 75.332 1.00737.35 N ATOM 52158 C5 C 02478 170.181 63.466 74.017 1.00737.35 C ATOM 52159 C6 C 02478 171.467 63.219 73.739 1.00737.35 C ATOM 52160 P U 02479 174.860 58.902 75.146 1.00737.35 P ATOM 52161 O1P U 02479 176.065 58.167 75.609 1.00737.35 O ATOM 52162 O2P U 02479 173.961 58.276 74.142 1.00737.35 O ATOM 52163 O5* U 02479 173.988 59.291 76.420 1.00737.35 O ATOM 52164 C5* U 02479 174.603 59.813 77.594 1.00737.35 C ATOM 52165 C4* U 02479 173.569 60.054 78.671 1.00737.35 C ATOM 52166 O4* U 02479 172.690 61.138 78.277 1.00737.35 O ATOM 52167 C3* U 02479 172.622 58.903 78.957 1.00737.35 C ATOM 52168 O3* U 02479 173.225 57.939 79.814 1.00737.35 O ATOM 52169 C2* U 02479 171.450 59.614 79.624 1.00737.35 C ATOM 52170 O2* U 02479 171.671 59.885 80.994 1.00737.35 O ATOM 52171 C1* U 02479 171.402 60.929 78.838 1.00737.35 C ATOM 52172 N1 U 02479 170.402 60.931 77.755 1.00737.35 N ATOM 52173 C2 U 02479 169.144 61.441 78.041 1.00737.35 C ATOM 52174 O2 U 02479 168.841 61.892 79.137 1.00737.35 O ATOM 52175 N3 U 02479 168.252 61.406 76.996 1.00737.35 N ATOM 52176 C4 U 02479 168.481 60.922 75.725 1.00737.35 C ATOM 52177 O4 U 02479 167.567 60.939 74.897 1.00737.35 O ATOM 52178 C5 U 02479 169.802 60.417 75.505 1.00737.35 C ATOM 52179 C6 U 02479 170.696 60.438 76.501 1.00737.35 C ATOM 52180 P C 02480 172.998 56.372 79.533 1.00737.35 P ATOM 52181 O1P C 02480 173.806 55.623 80.528 1.00737.35 O ATOM 52182 O2P C 02480 173.204 56.117 78.083 1.00737.35 O ATOM 52183 O5* C 02480 171.459 56.139 79.864 1.00737.35 O ATOM 52184 C5* C 02480 170.943 56.400 81.168 1.00737.35 C ATOM 52185 C4* C 02480 170.015 55.290 81.602 1.00737.35 C ATOM 52186 O4* C 02480 168.835 55.283 80.760 1.00737.35 O ATOM 52187 C3* C 02480 170.571 53.882 81.472 1.00737.35 C ATOM 52188 O3* C 02480 171.371 53.558 82.604 1.00737.35 O ATOM 52189 C2* C 02480 169.304 53.031 81.401 1.00737.35 C ATOM 52190 O2* C 02480 168.767 52.708 82.666 1.00737.35 O ATOM 52191 C1* C 02480 168.344 53.958 80.647 1.00737.35 C ATOM 52192 N1 C 02480 168.186 53.622 79.218 1.00737.35 N ATOM 52193 C2 C 02480 167.103 52.816 78.831 1.00737.35 C ATOM 52194 O2 C 02480 166.308 52.416 79.696 1.00737.35 O ATOM 52195 N3 C 02480 166.950 52.497 77.528 1.00737.35 N ATOM 52196 C4 C 02480 167.825 52.946 76.625 1.00737.35 C ATOM 52197 N4 C 02480 167.632 52.601 75.349 1.00737.35 N ATOM 52198 C5 C 02480 168.931 53.766 76.987 1.00737.35 C ATOM 52199 C6 C 02480 169.074 54.078 78.283 1.00737.35 C ATOM 52200 P G 02481 172.651 52.597 82.432 1.00737.35 P ATOM 52201 O1P G 02481 173.235 52.843 81.087 1.00737.35 O ATOM 52202 O2P G 02481 172.249 51.220 82.813 1.00737.35 O ATOM 52203 O5* G 02481 173.689 53.133 83.515 1.00737.35 O ATOM 52204 C5* G 02481 173.261 53.532 84.819 1.00737.35 C ATOM 52205 C4* G 02481 174.451 53.902 85.669 1.00737.35 C ATOM 52206 O4* G 02481 175.292 52.732 85.844 1.00737.35 O ATOM 52207 C3* G 02481 175.378 54.955 85.076 1.00737.35 C ATOM 52208 O3* G 02481 174.921 56.268 85.385 1.00737.35 O ATOM 52209 C2* G 02481 176.703 54.641 85.759 1.00737.35 C ATOM 52210 O2* G 02481 176.796 55.173 87.066 1.00737.35 O ATOM 52211 C1* G 02481 176.658 53.112 85.827 1.00737.35 C ATOM 52212 N9 G 02481 177.300 52.448 84.694 1.00737.35 N ATOM 52213 C8 G 02481 176.888 52.460 83.382 1.00737.35 C ATOM 52214 N7 G 02481 177.669 51.771 82.594 1.00737.35 N ATOM 52215 C5 G 02481 178.655 51.275 83.434 1.00737.35 C ATOM 52216 C6 G 02481 179.779 50.456 83.150 1.00737.35 C ATOM 52217 O6 G 02481 180.137 49.991 82.061 1.00737.35 O ATOM 52218 N1 G 02481 180.518 50.189 84.296 1.00737.35 N ATOM 52219 C2 G 02481 180.221 50.648 85.554 1.00737.35 C ATOM 52220 N2 G 02481 181.061 50.278 86.532 1.00737.35 N ATOM 52221 N3 G 02481 179.177 51.411 85.834 1.00737.35 N ATOM 52222 C4 G 02481 178.444 51.685 84.734 1.00737.35 C ATOM 52223 P A 02482 174.731 57.351 84.210 1.00737.35 P ATOM 52224 O1P A 02482 174.799 56.646 82.903 1.00737.35 O ATOM 52225 O2P A 02482 175.654 58.482 84.480 1.00737.35 O ATOM 52226 O5* A 02482 173.238 57.873 84.405 1.00737.35 O ATOM 52227 C5* A 02482 172.200 56.984 84.811 1.00737.35 C ATOM 52228 C4* A 02482 170.863 57.686 84.790 1.00737.35 C ATOM 52229 O4* A 02482 169.836 56.746 85.195 1.00737.35 O ATOM 52230 C3* A 02482 170.720 58.853 85.757 1.00737.35 C ATOM 52231 O3* A 02482 171.184 60.054 85.147 1.00737.35 O ATOM 52232 C2* A 02482 169.215 58.896 86.003 1.00737.35 C ATOM 52233 O2* A 02482 168.504 59.578 84.990 1.00737.35 O ATOM 52234 C1* A 02482 168.853 57.410 85.967 1.00737.35 C ATOM 52235 N9 A 02482 168.790 56.770 87.283 1.00737.35 N ATOM 52236 C8 A 02482 169.823 56.249 88.025 1.00737.35 C ATOM 52237 N7 A 02482 169.442 55.725 89.166 1.00737.35 N ATOM 52238 C5 A 02482 168.068 55.915 89.180 1.00737.35 C ATOM 52239 C6 A 02482 167.074 55.578 90.117 1.00737.35 C ATOM 52240 N6 A 02482 167.322 54.946 91.265 1.00737.35 N ATOM 52241 N1 A 02482 165.799 55.913 89.825 1.00737.35 N ATOM 52242 C2 A 02482 165.548 56.542 88.672 1.00737.35 C ATOM 52243 N3 A 02482 166.393 56.909 87.712 1.00737.35 N ATOM 52244 C4 A 02482 167.653 56.564 88.030 1.00737.35 C ATOM 52245 P U 02483 171.642 61.297 86.060 1.00737.35 P ATOM 52246 O1P U 02483 173.068 61.565 85.744 1.00737.35 O ATOM 52247 O2P U 02483 171.237 61.052 87.468 1.00737.35 O ATOM 52248 O5* U 02483 170.775 62.511 85.501 1.00737.35 O ATOM 52249 C5* U 02483 171.031 63.852 85.918 1.00737.35 C ATOM 52250 C4* U 02483 169.770 64.680 85.819 1.00737.35 C ATOM 52251 O4* U 02483 169.322 64.714 84.440 1.00737.35 O ATOM 52252 C3* U 02483 168.570 64.150 86.590 1.00737.35 C ATOM 52253 O3* U 02483 168.617 64.582 87.949 1.00737.35 O ATOM 52254 C2* U 02483 167.401 64.782 85.846 1.00737.35 C ATOM 52255 O2* U 02483 167.147 66.118 86.240 1.00737.35 O ATOM 52256 C1* U 02483 167.904 64.757 84.399 1.00737.35 C ATOM 52257 N1 U 02483 167.411 63.614 83.614 1.00737.35 N ATOM 52258 C2 U 02483 166.159 63.726 83.023 1.00737.35 C ATOM 52259 O2 U 02483 165.457 64.719 83.127 1.00737.35 O ATOM 52260 N3 U 02483 165.757 62.626 82.303 1.00737.35 N ATOM 52261 C4 U 02483 166.458 61.453 82.116 1.00737.35 C ATOM 52262 O4 U 02483 165.958 60.552 81.441 1.00737.35 O ATOM 52263 C5 U 02483 167.737 61.414 82.752 1.00737.35 C ATOM 52264 C6 U 02483 168.161 62.466 83.461 1.00737.35 C ATOM 52265 P G 02484 168.320 63.536 89.134 1.00737.35 P ATOM 52266 O1P G 02484 168.237 64.316 90.395 1.00737.35 O ATOM 52267 O2P G 02484 169.288 62.418 89.025 1.00737.35 O ATOM 52268 O5* G 02484 166.865 62.971 88.807 1.00737.35 O ATOM 52269 C5* G 02484 165.757 63.850 88.627 1.00737.35 C ATOM 52270 C4* G 02484 164.459 63.084 88.729 1.00737.35 C ATOM 52271 O4* G 02484 164.372 62.465 90.041 1.00737.35 O ATOM 52272 C3* G 02484 163.200 63.928 88.623 1.00737.35 C ATOM 52273 O3* G 02484 162.842 64.130 87.259 1.00737.35 O ATOM 52274 C2* G 02484 162.175 63.077 89.364 1.00737.35 C ATOM 52275 O2* G 02484 161.648 62.030 88.577 1.00737.35 O ATOM 52276 C1* G 02484 163.026 62.494 90.495 1.00737.35 C ATOM 52277 N9 G 02484 162.971 63.270 91.733 1.00737.35 N ATOM 52278 C8 G 02484 163.926 64.132 92.218 1.00737.35 C ATOM 52279 N7 G 02484 163.592 64.683 93.355 1.00737.35 N ATOM 52280 C5 G 02484 162.339 64.153 93.636 1.00737.35 C ATOM 52281 C6 G 02484 161.473 64.380 94.740 1.00737.35 C ATOM 52282 O6 G 02484 161.647 65.118 95.717 1.00737.35 O ATOM 52283 N1 G 02484 160.300 63.640 94.627 1.00737.35 N ATOM 52284 C2 G 02484 159.997 62.790 93.594 1.00737.35 C ATOM 52285 N2 G 02484 158.812 62.165 93.670 1.00737.35 N ATOM 52286 N3 G 02484 160.794 62.571 92.561 1.00737.35 N ATOM 52287 C4 G 02484 161.940 63.280 92.648 1.00737.35 C ATOM 52288 P U 02485 162.299 65.565 86.771 1.00737.35 P ATOM 52289 O1P U 02485 162.942 65.843 85.463 1.00737.35 O ATOM 52290 O2P U 02485 162.443 66.548 87.879 1.00737.35 O ATOM 52291 O5* U 02485 160.742 65.342 86.507 1.00737.35 O ATOM 52292 C5* U 02485 160.087 64.141 86.904 1.00737.35 C ATOM 52293 C4* U 02485 158.666 64.126 86.390 1.00737.35 C ATOM 52294 O4* U 02485 158.062 62.840 86.688 1.00737.35 O ATOM 52295 C3* U 02485 157.728 65.142 87.025 1.00737.35 C ATOM 52296 O3* U 02485 157.833 66.406 86.380 1.00737.35 O ATOM 52297 C2* U 02485 156.364 64.500 86.808 1.00737.35 C ATOM 52298 O2* U 02485 155.853 64.703 85.507 1.00737.35 O ATOM 52299 C1* U 02485 156.690 63.018 87.011 1.00737.35 C ATOM 52300 N1 U 02485 156.467 62.546 88.387 1.00737.35 N ATOM 52301 C2 U 02485 155.198 62.091 88.722 1.00737.35 C ATOM 52302 O2 U 02485 154.270 62.061 87.928 1.00737.35 O ATOM 52303 N3 U 02485 155.059 61.668 90.021 1.00737.35 N ATOM 52304 C4 U 02485 156.029 61.654 91.002 1.00737.35 C ATOM 52305 O4 U 02485 155.745 61.245 92.127 1.00737.35 O ATOM 52306 C5 U 02485 157.308 62.138 90.582 1.00737.35 C ATOM 52307 C6 U 02485 157.481 62.557 89.324 1.00737.35 C ATOM 52308 P C 02486 157.502 67.753 87.198 1.00737.35 P ATOM 52309 O1P C 02486 157.871 68.898 86.327 1.00737.35 O ATOM 52310 O2P C 02486 158.094 67.643 88.556 1.00737.35 O ATOM 52311 O5* C 02486 155.915 67.737 87.346 1.00737.35 O ATOM 52312 C5* C 02486 155.074 67.679 86.194 1.00737.35 C ATOM 52313 C4* C 02486 153.638 67.966 86.574 1.00737.35 C ATOM 52314 O4* C 02486 153.180 66.958 87.516 1.00737.35 O ATOM 52315 C3* C 02486 153.391 69.284 87.290 1.00737.35 C ATOM 52316 O3* C 02486 153.258 70.354 86.355 1.00737.35 O ATOM 52317 C2* C 02486 152.087 69.007 88.031 1.00737.35 C ATOM 52318 O2* C 02486 150.943 69.134 87.210 1.00737.35 O ATOM 52319 C1* C 02486 152.276 67.544 88.440 1.00737.35 C ATOM 52320 N1 C 02486 152.820 67.381 89.804 1.00737.35 N ATOM 52321 C2 C 02486 151.931 67.160 90.868 1.00737.35 C ATOM 52322 O2 C 02486 150.707 67.088 90.638 1.00737.35 O ATOM 52323 N3 C 02486 152.424 67.027 92.121 1.00737.35 N ATOM 52324 C4 C 02486 153.738 67.104 92.334 1.00737.35 C ATOM 52325 N4 C 02486 154.175 66.973 93.591 1.00737.35 N ATOM 52326 C5 C 02486 154.664 67.321 91.273 1.00737.35 C ATOM 52327 C6 C 02486 154.167 67.452 90.038 1.00737.35 C ATOM 52328 P G 02487 153.813 71.815 86.734 1.00737.35 P ATOM 52329 O1P G 02487 153.602 72.685 85.548 1.00737.35 O ATOM 52330 O2P G 02487 155.176 71.672 87.305 1.00737.35 O ATOM 52331 O5* G 02487 152.838 72.309 87.893 1.00737.35 O ATOM 52332 C5* G 02487 151.460 72.574 87.629 1.00737.35 C ATOM 52333 C4* G 02487 150.708 72.794 88.923 1.00737.35 C ATOM 52334 O4* G 02487 150.768 71.581 89.720 1.00737.35 O ATOM 52335 C3* G 02487 151.265 73.874 89.839 1.00737.35 C ATOM 52336 O3* G 02487 150.782 75.163 89.464 1.00737.35 O ATOM 52337 C2* G 02487 150.736 73.441 91.201 1.00737.35 C ATOM 52338 O2* G 02487 149.389 73.809 91.419 1.00737.35 O ATOM 52339 C1* G 02487 150.847 71.918 91.099 1.00737.35 C ATOM 52340 N9 G 02487 152.100 71.393 91.635 1.00737.35 N ATOM 52341 C8 G 02487 153.210 70.994 90.925 1.00737.35 C ATOM 52342 N7 G 02487 154.180 70.569 91.686 1.00737.35 N ATOM 52343 C5 G 02487 153.686 70.695 92.977 1.00737.35 C ATOM 52344 C6 G 02487 154.288 70.393 94.225 1.00737.35 C ATOM 52345 O6 G 02487 155.418 69.936 94.446 1.00737.35 O ATOM 52346 N1 G 02487 153.434 70.672 95.288 1.00737.35 N ATOM 52347 C2 G 02487 152.165 71.178 95.165 1.00737.35 C ATOM 52348 N2 G 02487 151.496 71.380 96.311 1.00737.35 N ATOM 52349 N3 G 02487 151.590 71.464 94.009 1.00737.35 N ATOM 52350 C4 G 02487 152.402 71.200 92.964 1.00737.35 C ATOM 52351 P G 02488 151.649 76.473 89.817 1.00737.35 P ATOM 52352 O1P G 02488 150.919 77.643 89.265 1.00737.35 O ATOM 52353 O2P G 02488 153.056 76.228 89.413 1.00737.35 O ATOM 52354 O5* G 02488 151.593 76.558 91.408 1.00737.35 O ATOM 52355 C5* G 02488 150.352 76.719 92.091 1.00737.35 C ATOM 52356 C4* G 02488 150.529 76.472 93.573 1.00737.35 C ATOM 52357 O4* G 02488 150.994 75.111 93.775 1.00737.35 O ATOM 52358 C3* G 02488 151.567 77.332 94.272 1.00737.35 C ATOM 52359 O3* G 02488 151.012 78.584 94.663 1.00737.35 O ATOM 52360 C2* G 02488 151.940 76.476 95.477 1.00737.35 C ATOM 52361 O2* G 02488 151.011 76.577 96.539 1.00737.35 O ATOM 52362 C1* G 02488 151.887 75.068 94.877 1.00737.35 C ATOM 52363 N9 G 02488 153.186 74.585 94.409 1.00737.35 N ATOM 52364 C8 G 02488 153.623 74.501 93.107 1.00737.35 C ATOM 52365 N7 G 02488 154.834 74.025 93.004 1.00737.35 N ATOM 52366 C5 G 02488 155.221 73.780 94.314 1.00737.35 C ATOM 52367 C6 G 02488 156.437 73.259 94.833 1.00737.35 C ATOM 52368 O6 G 02488 157.448 72.898 94.216 1.00737.35 O ATOM 52369 N1 G 02488 156.408 73.177 96.221 1.00737.35 N ATOM 52370 C2 G 02488 155.348 73.549 97.012 1.00737.35 C ATOM 52371 N2 G 02488 155.514 73.397 98.336 1.00737.35 N ATOM 52372 N3 G 02488 154.210 74.033 96.544 1.00737.35 N ATOM 52373 C4 G 02488 154.216 74.121 95.196 1.00737.35 C ATOM 52374 P C 02489 151.980 79.839 94.935 1.00737.35 P ATOM 52375 O1P C 02489 151.114 81.012 95.216 1.00737.35 O ATOM 52376 O2P C 02489 152.980 79.914 93.837 1.00737.35 O ATOM 52377 O5* C 02489 152.744 79.450 96.278 1.00737.35 O ATOM 52378 C5* C 02489 152.065 79.426 97.533 1.00737.35 C ATOM 52379 C4* C 02489 153.040 79.153 98.657 1.00737.35 C ATOM 52380 O4* C 02489 153.583 77.815 98.512 1.00737.35 O ATOM 52381 C3* C 02489 154.261 80.061 98.694 1.00737.35 C ATOM 52382 O3* C 02489 153.971 81.267 99.395 1.00737.35 O ATOM 52383 C2* C 02489 155.283 79.204 99.432 1.00737.35 C ATOM 52384 O2* C 02489 155.124 79.237 100.837 1.00737.35 O ATOM 52385 C1* C 02489 154.946 77.804 98.908 1.00737.35 C ATOM 52386 N1 C 02489 155.770 77.376 97.756 1.00737.35 N ATOM 52387 C2 C 02489 157.062 76.870 97.993 1.00737.35 C ATOM 52388 O2 C 02489 157.489 76.812 99.158 1.00737.35 O ATOM 52389 N3 C 02489 157.812 76.464 96.942 1.00737.35 N ATOM 52390 C4 C 02489 157.326 76.548 95.702 1.00737.35 C ATOM 52391 N4 C 02489 158.099 76.130 94.699 1.00737.35 N ATOM 52392 C5 C 02489 156.026 77.064 95.435 1.00737.35 C ATOM 52393 C6 C 02489 155.289 77.461 96.479 1.00737.35 C ATOM 52394 P U 02490 154.587 82.659 98.877 1.00737.35 P ATOM 52395 O1P U 02490 154.147 83.716 99.824 1.00737.35 O ATOM 52396 O2P U 02490 154.280 82.799 97.431 1.00737.35 O ATOM 52397 O5* U 02490 156.160 82.466 99.037 1.00737.35 O ATOM 52398 C5* U 02490 156.765 82.388 100.325 1.00737.35 C ATOM 52399 C4* U 02490 158.240 82.083 100.193 1.00737.35 C ATOM 52400 O4* U 02490 158.407 80.763 99.610 1.00737.35 O ATOM 52401 C3* U 02490 159.022 83.006 99.274 1.00737.35 C ATOM 52402 O3* U 02490 159.436 84.180 99.968 1.00737.35 O ATOM 52403 C2* U 02490 160.202 82.134 98.863 1.00737.35 C ATOM 52404 O2* U 02490 161.233 82.099 99.831 1.00737.35 O ATOM 52405 C1* U 02490 159.544 80.755 98.761 1.00737.35 C ATOM 52406 N1 U 02490 159.108 80.402 97.399 1.00737.35 N ATOM 52407 C2 U 02490 160.021 79.757 96.574 1.00737.35 C ATOM 52408 O2 U 02490 161.159 79.478 96.923 1.00737.35 O ATOM 52409 N3 U 02490 159.550 79.449 95.320 1.00737.35 N ATOM 52410 C4 U 02490 158.295 79.713 94.814 1.00737.35 C ATOM 52411 O4 U 02490 158.019 79.363 93.666 1.00737.35 O ATOM 52412 C5 U 02490 157.414 80.379 95.723 1.00737.35 C ATOM 52413 C6 U 02490 157.838 80.693 96.950 1.00737.35 C ATOM 52414 P C 02491 159.390 85.606 99.226 1.00737.35 P ATOM 52415 O1P C 02491 159.702 86.642 100.243 1.00737.35 O ATOM 52416 O2P C 02491 158.124 85.697 98.454 1.00737.35 O ATOM 52417 O5* C 02491 160.600 85.542 98.191 1.00737.35 O ATOM 52418 C5* C 02491 161.953 85.574 98.640 1.00737.35 C ATOM 52419 C4* C 02491 162.893 85.293 97.491 1.00737.35 C ATOM 52420 O4* C 02491 162.657 83.944 97.001 1.00737.35 O ATOM 52421 C3* C 02491 162.711 86.174 96.265 1.00737.35 C ATOM 52422 O3* C 02491 163.411 87.411 96.396 1.00737.35 O ATOM 52423 C2* C 02491 163.284 85.296 95.157 1.00737.35 C ATOM 52424 O2* C 02491 164.697 85.312 95.109 1.00737.35 O ATOM 52425 C1* C 02491 162.790 83.914 95.588 1.00737.35 C ATOM 52426 N1 C 02491 161.482 83.558 94.995 1.00737.35 N ATOM 52427 C2 C 02491 161.449 82.956 93.723 1.00737.35 C ATOM 52428 O2 C 02491 162.517 82.729 93.128 1.00737.35 O ATOM 52429 N3 C 02491 160.252 82.640 93.176 1.00737.35 N ATOM 52430 C4 C 02491 159.123 82.899 93.842 1.00737.35 C ATOM 52431 N4 C 02491 157.967 82.574 93.260 1.00737.35 N ATOM 52432 C5 C 02491 159.129 83.504 95.131 1.00737.35 C ATOM 52433 C6 C 02491 160.316 83.812 95.664 1.00737.35 C ATOM 52434 P G 02492 162.657 88.797 96.063 1.00737.35 P ATOM 52435 O1P G 02492 163.454 89.901 96.662 1.00737.35 O ATOM 52436 O2P G 02492 161.226 88.645 96.433 1.00737.35 O ATOM 52437 O5* G 02492 162.744 88.936 94.477 1.00737.35 O ATOM 52438 C5* G 02492 162.365 87.859 93.624 1.00737.35 C ATOM 52439 C4* G 02492 163.432 87.616 92.586 1.00737.35 C ATOM 52440 O4* G 02492 163.311 86.268 92.068 1.00737.35 O ATOM 52441 C3* G 02492 163.383 88.504 91.354 1.00737.35 C ATOM 52442 O3* G 02492 164.018 89.758 91.587 1.00737.35 O ATOM 52443 C2* G 02492 164.137 87.665 90.328 1.00737.35 C ATOM 52444 O2* G 02492 165.543 87.776 90.446 1.00737.35 O ATOM 52445 C1* G 02492 163.701 86.247 90.704 1.00737.35 C ATOM 52446 N9 G 02492 162.581 85.740 89.913 1.00737.35 N ATOM 52447 C8 G 02492 161.240 85.878 90.185 1.00737.35 C ATOM 52448 N7 G 02492 160.475 85.312 89.291 1.00737.35 N ATOM 52449 C5 G 02492 161.363 84.768 88.373 1.00737.35 C ATOM 52450 C6 G 02492 161.120 84.033 87.185 1.00737.35 C ATOM 52451 O6 G 02492 160.035 83.704 86.690 1.00737.35 O ATOM 52452 N1 G 02492 162.307 83.675 86.554 1.00737.35 N ATOM 52453 C2 G 02492 163.567 83.983 87.006 1.00737.35 C ATOM 52454 N2 G 02492 164.587 83.544 86.254 1.00737.35 N ATOM 52455 N3 G 02492 163.806 84.667 88.112 1.00737.35 N ATOM 52456 C4 G 02492 162.667 85.025 88.741 1.00737.35 C ATOM 52457 P U 02493 163.530 91.062 90.783 1.00737.35 P ATOM 52458 O1P U 02493 164.310 92.228 91.277 1.00737.35 O ATOM 52459 O2P U 02493 162.045 91.100 90.840 1.00737.35 O ATOM 52460 O5* U 02493 163.959 90.775 89.277 1.00737.35 O ATOM 52461 C5* U 02493 165.336 90.695 88.909 1.00737.35 C ATOM 52462 C4* U 02493 165.489 89.988 87.582 1.00737.35 C ATOM 52463 O4* U 02493 164.930 88.652 87.686 1.00737.35 O ATOM 52464 C3* U 02493 164.753 90.603 86.400 1.00737.35 C ATOM 52465 O3* U 02493 165.505 91.659 85.808 1.00737.35 O ATOM 52466 C2* U 02493 164.615 89.411 85.461 1.00737.35 C ATOM 52467 O2* U 02493 165.802 89.123 84.745 1.00737.35 O ATOM 52468 C1* U 02493 164.330 88.284 86.454 1.00737.35 C ATOM 52469 N1 U 02493 162.888 88.065 86.670 1.00737.35 N ATOM 52470 C2 U 02493 162.226 87.223 85.789 1.00737.35 C ATOM 52471 O2 U 02493 162.783 86.661 84.859 1.00737.35 O ATOM 52472 N3 U 02493 160.884 87.068 86.033 1.00737.35 N ATOM 52473 C4 U 02493 160.150 87.650 87.047 1.00737.35 C ATOM 52474 O4 U 02493 158.945 87.410 87.133 1.00737.35 O ATOM 52475 C5 U 02493 160.903 88.500 87.916 1.00737.35 C ATOM 52476 C6 U 02493 162.211 88.673 87.705 1.00737.35 C ATOM 52477 P C 02494 164.789 92.669 84.777 1.00737.35 P ATOM 52478 O1P C 02494 165.750 93.754 84.452 1.00737.35 O ATOM 52479 O2P C 02494 163.454 93.013 85.330 1.00737.35 O ATOM 52480 O5* C 02494 164.566 91.785 83.468 1.00737.35 O ATOM 52481 C5* C 02494 165.677 91.297 82.718 1.00737.35 C ATOM 52482 C4* C 02494 165.208 90.442 81.564 1.00737.35 C ATOM 52483 O4* C 02494 164.535 89.259 82.066 1.00737.35 O ATOM 52484 C3* C 02494 164.191 91.073 80.628 1.00737.35 C ATOM 52485 O3* C 02494 164.832 91.913 79.673 1.00737.35 O ATOM 52486 C2* C 02494 163.553 89.849 79.977 1.00737.35 C ATOM 52487 O2* C 02494 164.323 89.320 78.916 1.00737.35 O ATOM 52488 C1* C 02494 163.532 88.856 81.144 1.00737.35 C ATOM 52489 N1 C 02494 162.231 88.786 81.843 1.00737.35 N ATOM 52490 C2 C 02494 161.244 87.906 81.359 1.00737.35 C ATOM 52491 O2 C 02494 161.488 87.209 80.359 1.00737.35 O ATOM 52492 N3 C 02494 160.053 87.838 81.995 1.00737.35 N ATOM 52493 C4 C 02494 159.821 88.601 83.066 1.00737.35 C ATOM 52494 N4 C 02494 158.630 88.500 83.660 1.00737.35 N ATOM 52495 C5 C 02494 160.801 89.502 83.578 1.00737.35 C ATOM 52496 C6 C 02494 161.979 89.563 82.942 1.00737.35 C ATOM 52497 P G 02495 164.000 93.091 78.962 1.00737.35 P ATOM 52498 O1P G 02495 164.953 93.923 78.181 1.00737.35 O ATOM 52499 O2P G 02495 163.144 93.732 79.993 1.00737.35 O ATOM 52500 O5* G 02495 163.051 92.324 77.939 1.00737.35 O ATOM 52501 C5* G 02495 163.593 91.632 76.815 1.00737.35 C ATOM 52502 C4* G 02495 162.521 90.815 76.129 1.00737.35 C ATOM 52503 O4* G 02495 162.052 89.776 77.027 1.00737.35 O ATOM 52504 C3* G 02495 161.261 91.569 75.732 1.00737.35 C ATOM 52505 O3* G 02495 161.439 92.222 74.478 1.00737.35 O ATOM 52506 C2* G 02495 160.232 90.448 75.648 1.00737.35 C ATOM 52507 O2* G 02495 160.293 89.742 74.425 1.00737.35 O ATOM 52508 C1* G 02495 160.673 89.534 76.794 1.00737.35 C ATOM 52509 N9 G 02495 159.943 89.742 78.045 1.00737.35 N ATOM 52510 C8 G 02495 160.341 90.496 79.122 1.00737.35 C ATOM 52511 N7 G 02495 159.484 90.483 80.104 1.00737.35 N ATOM 52512 C5 G 02495 158.450 89.673 79.649 1.00737.35 C ATOM 52513 C6 G 02495 157.238 89.290 80.281 1.00737.35 C ATOM 52514 O6 G 02495 156.822 89.597 81.404 1.00737.35 O ATOM 52515 N1 G 02495 156.475 88.465 79.461 1.00737.35 N ATOM 52516 C2 G 02495 156.829 88.058 78.200 1.00737.35 C ATOM 52517 N2 G 02495 155.950 87.262 77.570 1.00737.35 N ATOM 52518 N3 G 02495 157.958 88.404 77.600 1.00737.35 N ATOM 52519 C4 G 02495 158.716 89.210 78.377 1.00737.35 C ATOM 52520 P C 02496 160.511 93.475 74.088 1.00737.35 P ATOM 52521 O1P C 02496 161.091 94.123 72.881 1.00737.35 O ATOM 52522 O2P C 02496 160.291 94.283 75.315 1.00737.35 O ATOM 52523 O5* C 02496 159.119 92.815 73.679 1.00737.35 O ATOM 52524 C5* C 02496 159.019 91.952 72.545 1.00737.35 C ATOM 52525 C4* C 02496 157.700 91.214 72.559 1.00737.35 C ATOM 52526 O4* C 02496 157.627 90.399 73.757 1.00737.35 O ATOM 52527 C3* C 02496 156.454 92.090 72.603 1.00737.35 C ATOM 52528 O3* C 02496 156.077 92.456 71.275 1.00737.35 O ATOM 52529 C2* C 02496 155.428 91.174 73.267 1.00737.35 C ATOM 52530 O2* C 02496 154.814 90.275 72.368 1.00737.35 O ATOM 52531 C1* C 02496 156.300 90.388 74.252 1.00737.35 C ATOM 52532 N1 C 02496 156.307 90.911 75.634 1.00737.35 N ATOM 52533 C2 C 02496 155.279 90.527 76.512 1.00737.35 C ATOM 52534 O2 C 02496 154.374 89.780 76.100 1.00737.35 O ATOM 52535 N3 C 02496 155.298 90.982 77.788 1.00737.35 N ATOM 52536 C4 C 02496 156.282 91.785 78.195 1.00737.35 C ATOM 52537 N4 C 02496 156.262 92.203 79.463 1.00737.35 N ATOM 52538 C5 C 02496 157.330 92.198 77.325 1.00737.35 C ATOM 52539 C6 C 02496 157.301 91.746 76.065 1.00737.35 C ATOM 52540 P A 02497 155.023 93.649 71.034 1.00737.35 P ATOM 52541 O1P A 02497 155.242 94.147 69.652 1.00737.35 O ATOM 52542 O2P A 02497 155.093 94.599 72.175 1.00737.35 O ATOM 52543 O5* A 02497 153.606 92.918 71.068 1.00737.35 O ATOM 52544 C5* A 02497 152.389 93.655 70.956 1.00737.35 C ATOM 52545 C4* A 02497 151.219 92.806 71.407 1.00737.35 C ATOM 52546 O4* A 02497 150.966 91.754 70.441 1.00737.35 O ATOM 52547 C3* A 02497 151.423 92.076 72.725 1.00737.35 C ATOM 52548 O3* A 02497 151.113 92.924 73.831 1.00737.35 O ATOM 52549 C2* A 02497 150.445 90.910 72.614 1.00737.35 C ATOM 52550 O2* A 02497 149.127 91.257 72.990 1.00737.35 O ATOM 52551 C1* A 02497 150.487 90.605 71.115 1.00737.35 C ATOM 52552 N9 A 02497 151.300 89.448 70.727 1.00737.35 N ATOM 52553 C8 A 02497 150.934 88.126 70.817 1.00737.35 C ATOM 52554 N7 A 02497 151.855 87.291 70.404 1.00737.35 N ATOM 52555 C5 A 02497 152.904 88.114 70.017 1.00737.35 C ATOM 52556 C6 A 02497 154.175 87.839 69.484 1.00737.35 C ATOM 52557 N6 A 02497 154.626 86.606 69.243 1.00737.35 N ATOM 52558 N1 A 02497 154.979 88.886 69.201 1.00737.35 N ATOM 52559 C2 A 02497 154.526 90.123 69.444 1.00737.35 C ATOM 52560 N3 A 02497 153.353 90.509 69.942 1.00737.35 N ATOM 52561 C4 A 02497 152.577 89.446 70.212 1.00737.35 C ATOM 52562 P U 02498 152.161 94.059 74.283 1.00737.35 P ATOM 52563 O1P U 02498 151.740 95.323 73.624 1.00737.35 O ATOM 52564 O2P U 02498 153.536 93.543 74.061 1.00737.35 O ATOM 52565 O5* U 02498 151.950 94.218 75.853 1.00737.35 O ATOM 52566 C5* U 02498 150.654 94.416 76.422 1.00737.35 C ATOM 52567 C4* U 02498 150.510 95.839 76.915 1.00737.35 C ATOM 52568 O4* U 02498 151.757 96.233 77.541 1.00737.35 O ATOM 52569 C3* U 02498 150.274 96.883 75.832 1.00737.35 C ATOM 52570 O3* U 02498 148.876 97.060 75.594 1.00737.35 O ATOM 52571 C2* U 02498 150.846 98.149 76.465 1.00737.35 C ATOM 52572 O2* U 02498 149.942 98.790 77.343 1.00737.35 O ATOM 52573 C1* U 02498 152.028 97.596 77.267 1.00737.35 C ATOM 52574 N1 U 02498 153.325 97.689 76.576 1.00737.35 N ATOM 52575 C2 U 02498 154.236 98.631 77.032 1.00737.35 C ATOM 52576 O2 U 02498 154.009 99.378 77.973 1.00737.35 O ATOM 52577 N3 U 02498 155.426 98.664 76.347 1.00737.35 N ATOM 52578 C4 U 02498 155.792 97.876 75.275 1.00737.35 C ATOM 52579 O4 U 02498 156.904 98.027 74.765 1.00737.35 O ATOM 52580 C5 U 02498 154.800 96.935 74.861 1.00737.35 C ATOM 52581 C6 U 02498 153.632 96.872 75.508 1.00737.35 C ATOM 52582 P C 02499 147.990 95.847 75.011 1.00737.35 P ATOM 52583 O1P C 02499 148.849 95.035 74.109 1.00737.35 O ATOM 52584 O2P C 02499 146.725 96.426 74.491 1.00737.35 O ATOM 52585 O5* C 02499 147.657 94.973 76.304 1.00737.35 O ATOM 52586 C5* C 02499 146.364 94.393 76.491 1.00737.35 C ATOM 52587 C4* C 02499 145.924 94.527 77.937 1.00737.35 C ATOM 52588 O4* C 02499 146.719 93.664 78.789 1.00737.35 O ATOM 52589 C3* C 02499 146.072 95.909 78.555 1.00737.35 C ATOM 52590 O3* C 02499 144.964 96.738 78.212 1.00737.35 O ATOM 52591 C2* C 02499 146.107 95.596 80.048 1.00737.35 C ATOM 52592 O2* C 02499 144.822 95.419 80.608 1.00737.35 O ATOM 52593 C1* C 02499 146.862 94.263 80.072 1.00737.35 C ATOM 52594 N1 C 02499 148.303 94.374 80.392 1.00737.35 N ATOM 52595 C2 C 02499 148.697 94.739 81.696 1.00737.35 C ATOM 52596 O2 C 02499 147.828 94.963 82.560 1.00737.35 O ATOM 52597 N3 C 02499 150.013 94.832 81.984 1.00737.35 N ATOM 52598 C4 C 02499 150.925 94.581 81.041 1.00737.35 C ATOM 52599 N4 C 02499 152.211 94.685 81.377 1.00737.35 N ATOM 52600 C5 C 02499 150.557 94.214 79.718 1.00737.35 C ATOM 52601 C6 C 02499 149.251 94.124 79.438 1.00737.35 C ATOM 52602 P C 02500 145.149 98.334 78.151 1.00737.35 P ATOM 52603 O1P C 02500 143.861 98.908 77.682 1.00737.35 O ATOM 52604 O2P C 02500 146.400 98.638 77.410 1.00737.35 O ATOM 52605 O5* C 02500 145.355 98.758 79.673 1.00737.35 O ATOM 52606 C5* C 02500 144.331 98.536 80.641 1.00737.35 C ATOM 52607 C4* C 02500 144.770 99.049 81.995 1.00737.35 C ATOM 52608 O4* C 02500 145.933 98.302 82.439 1.00737.35 O ATOM 52609 C3* C 02500 145.213 100.502 82.040 1.00737.35 C ATOM 52610 O3* C 02500 144.094 101.371 82.196 1.00737.35 O ATOM 52611 C2* C 02500 146.125 100.525 83.260 1.00737.35 C ATOM 52612 O2* C 02500 145.418 100.617 84.480 1.00737.35 O ATOM 52613 C1* C 02500 146.807 99.158 83.157 1.00737.35 C ATOM 52614 N1 C 02500 148.113 99.198 82.466 1.00737.35 N ATOM 52615 C2 C 02500 149.257 99.570 83.191 1.00737.35 C ATOM 52616 O2 C 02500 149.146 99.860 84.396 1.00737.35 O ATOM 52617 N3 C 02500 150.453 99.604 82.561 1.00737.35 N ATOM 52618 C4 C 02500 150.540 99.287 81.267 1.00737.35 C ATOM 52619 N4 C 02500 151.742 99.330 80.693 1.00737.35 N ATOM 52620 C5 C 02500 149.396 98.909 80.508 1.00737.35 C ATOM 52621 C6 C 02500 148.215 98.879 81.139 1.00737.35 C ATOM 52622 P U 02501 144.180 102.883 81.659 1.00737.35 P ATOM 52623 O1P U 02501 142.929 103.583 82.046 1.00737.35 O ATOM 52624 O2P U 02501 144.577 102.830 80.229 1.00737.35 O ATOM 52625 O5* U 02501 145.383 103.515 82.495 1.00737.35 O ATOM 52626 C5* U 02501 146.066 104.678 82.033 1.00737.35 C ATOM 52627 C4* U 02501 147.183 105.037 82.984 1.00737.35 C ATOM 52628 O4* U 02501 148.053 103.888 83.162 1.00737.35 O ATOM 52629 C3* U 02501 148.109 106.141 82.502 1.00737.35 C ATOM 52630 O3* U 02501 147.575 107.423 82.809 1.00737.35 O ATOM 52631 C2* U 02501 149.387 105.854 83.282 1.00737.35 C ATOM 52632 O2* U 02501 149.352 106.345 84.608 1.00737.35 O ATOM 52633 C1* U 02501 149.399 104.323 83.297 1.00737.35 C ATOM 52634 N1 U 02501 150.197 103.724 82.214 1.00737.35 N ATOM 52635 C2 U 02501 151.539 103.464 82.465 1.00737.35 C ATOM 52636 O2 U 02501 152.077 103.706 83.535 1.00737.35 O ATOM 52637 N3 U 02501 152.227 102.908 81.417 1.00737.35 N ATOM 52638 C4 U 02501 151.729 102.592 80.170 1.00737.35 C ATOM 52639 O4 U 02501 152.479 102.093 79.330 1.00737.35 O ATOM 52640 C5 U 02501 150.343 102.887 79.987 1.00737.35 C ATOM 52641 C6 U 02501 149.643 103.428 80.988 1.00737.35 C ATOM 52642 P G 02502 147.377 108.506 81.636 1.00737.35 P ATOM 52643 O1P G 02502 146.942 109.785 82.254 1.00737.35 O ATOM 52644 O2P G 02502 146.537 107.878 80.585 1.00737.35 O ATOM 52645 O5* G 02502 148.843 108.704 81.040 1.00737.35 O ATOM 52646 C5* G 02502 149.829 109.455 81.748 1.00737.35 C ATOM 52647 C4* G 02502 151.044 109.676 80.876 1.00737.35 C ATOM 52648 O4* G 02502 151.686 108.403 80.606 1.00737.35 O ATOM 52649 C3* G 02502 150.769 110.259 79.499 1.00737.35 C ATOM 52650 O3* G 02502 150.663 111.678 79.552 1.00737.35 O ATOM 52651 C2* G 02502 151.989 109.803 78.706 1.00737.35 C ATOM 52652 O2* G 02502 153.125 110.618 78.919 1.00737.35 O ATOM 52653 C1* G 02502 152.231 108.412 79.296 1.00737.35 C ATOM 52654 N9 G 02502 151.608 107.334 78.529 1.00737.35 N ATOM 52655 C8 G 02502 150.400 106.728 78.775 1.00737.35 C ATOM 52656 N7 G 02502 150.111 105.788 77.916 1.00737.35 N ATOM 52657 C5 G 02502 151.193 105.772 77.048 1.00737.35 C ATOM 52658 C6 G 02502 151.446 104.961 75.910 1.00737.35 C ATOM 52659 O6 G 02502 150.741 104.066 75.428 1.00737.35 O ATOM 52660 N1 G 02502 152.664 105.277 75.317 1.00737.35 N ATOM 52661 C2 G 02502 153.529 106.248 75.758 1.00737.35 C ATOM 52662 N2 G 02502 154.656 106.403 75.048 1.00737.35 N ATOM 52663 N3 G 02502 153.305 107.010 76.817 1.00737.35 N ATOM 52664 C4 G 02502 152.129 106.721 77.410 1.00737.35 C ATOM 52665 P G 02503 149.844 112.461 78.412 1.00737.35 P ATOM 52666 O1P G 02503 149.810 113.901 78.771 1.00737.35 O ATOM 52667 O2P G 02503 148.568 111.732 78.189 1.00737.35 O ATOM 52668 O5* G 02503 150.744 112.289 77.107 1.00737.35 O ATOM 52669 C5* G 02503 152.003 112.949 76.993 1.00737.35 C ATOM 52670 C4* G 02503 152.700 112.542 75.716 1.00737.35 C ATOM 52671 O4* G 02503 153.025 111.127 75.770 1.00737.35 O ATOM 52672 C3* G 02503 151.885 112.681 74.442 1.00737.35 C ATOM 52673 O3* G 02503 151.899 114.012 73.933 1.00737.35 O ATOM 52674 C2* G 02503 152.593 111.708 73.507 1.00737.35 C ATOM 52675 O2* G 02503 153.778 112.239 72.944 1.00737.35 O ATOM 52676 C1* G 02503 152.937 110.566 74.466 1.00737.35 C ATOM 52677 N9 G 02503 151.930 109.507 74.477 1.00737.35 N ATOM 52678 C8 G 02503 150.924 109.321 75.398 1.00737.35 C ATOM 52679 N7 G 02503 150.172 108.288 75.134 1.00737.35 N ATOM 52680 C5 G 02503 150.710 107.755 73.970 1.00737.35 C ATOM 52681 C6 G 02503 150.315 106.626 73.204 1.00737.35 C ATOM 52682 O6 G 02503 149.379 105.844 73.410 1.00737.35 O ATOM 52683 N1 G 02503 151.137 106.447 72.097 1.00737.35 N ATOM 52684 C2 G 02503 152.203 107.247 71.766 1.00737.35 C ATOM 52685 N2 G 02503 152.873 106.906 70.654 1.00737.35 N ATOM 52686 N3 G 02503 152.583 108.301 72.468 1.00737.35 N ATOM 52687 C4 G 02503 151.796 108.496 73.549 1.00737.35 C ATOM 52688 P G 02504 150.514 114.730 73.523 1.00737.35 P ATOM 52689 O1P G 02504 150.833 116.106 73.065 1.00737.35 O ATOM 52690 O2P G 02504 149.559 114.538 74.645 1.00737.35 O ATOM 52691 O5* G 02504 149.981 113.902 72.267 1.00737.35 O ATOM 52692 C5* G 02504 149.708 112.506 72.369 1.00737.35 C ATOM 52693 C4* G 02504 149.883 111.839 71.027 1.00737.35 C ATOM 52694 O4* G 02504 150.062 110.412 71.220 1.00737.35 O ATOM 52695 C3* G 02504 148.705 111.955 70.071 1.00737.35 C ATOM 52696 O3* G 02504 148.745 113.179 69.342 1.00737.35 O ATOM 52697 C2* G 02504 148.899 110.741 69.170 1.00737.35 C ATOM 52698 O2* G 02504 149.850 110.956 68.144 1.00737.35 O ATOM 52699 C1* G 02504 149.435 109.706 70.162 1.00737.35 C ATOM 52700 N9 G 02504 148.404 108.845 70.734 1.00737.35 N ATOM 52701 C8 G 02504 147.658 109.078 71.865 1.00737.35 C ATOM 52702 N7 G 02504 146.816 108.116 72.133 1.00737.35 N ATOM 52703 C5 G 02504 147.015 107.193 71.115 1.00737.35 C ATOM 52704 C6 G 02504 146.389 105.943 70.875 1.00737.35 C ATOM 52705 O6 G 02504 145.506 105.383 71.536 1.00737.35 O ATOM 52706 N1 G 02504 146.893 105.334 69.729 1.00737.35 N ATOM 52707 C2 G 02504 147.870 105.857 68.919 1.00737.35 C ATOM 52708 N2 G 02504 148.220 105.116 67.857 1.00737.35 N ATOM 52709 N3 G 02504 148.463 107.018 69.136 1.00737.35 N ATOM 52710 C4 G 02504 147.990 107.629 70.243 1.00737.35 C ATOM 52711 P G 02505 147.406 113.738 68.649 1.00737.35 P ATOM 52712 O1P G 02505 147.694 115.096 68.121 1.00737.35 O ATOM 52713 O2P G 02505 146.286 113.546 69.607 1.00737.35 O ATOM 52714 O5* G 02505 147.172 112.754 67.417 1.00737.35 O ATOM 52715 C5* G 02505 147.990 112.834 66.252 1.00737.35 C ATOM 52716 C4* G 02505 147.577 111.788 65.242 1.00737.35 C ATOM 52717 O4* G 02505 147.851 110.462 65.769 1.00737.35 O ATOM 52718 C3* G 02505 146.101 111.744 64.889 1.00737.35 C ATOM 52719 O3* G 02505 145.769 112.720 63.906 1.00737.35 O ATOM 52720 C2* G 02505 145.939 110.325 64.359 1.00737.35 C ATOM 52721 O2* G 02505 146.358 110.183 63.016 1.00737.35 O ATOM 52722 C1* G 02505 146.881 109.548 65.281 1.00737.35 C ATOM 52723 N9 G 02505 146.199 108.936 66.421 1.00737.35 N ATOM 52724 C8 G 02505 146.073 109.444 67.691 1.00737.35 C ATOM 52725 N7 G 02505 145.401 108.664 68.492 1.00737.35 N ATOM 52726 C5 G 02505 145.060 107.573 67.704 1.00737.35 C ATOM 52727 C6 G 02505 144.326 106.400 68.024 1.00737.35 C ATOM 52728 O6 G 02505 143.813 106.081 69.104 1.00737.35 O ATOM 52729 N1 G 02505 144.213 105.553 66.926 1.00737.35 N ATOM 52730 C2 G 02505 144.736 105.799 65.682 1.00737.35 C ATOM 52731 N2 G 02505 144.518 104.857 64.753 1.00737.35 N ATOM 52732 N3 G 02505 145.423 106.885 65.370 1.00737.35 N ATOM 52733 C4 G 02505 145.546 107.724 66.422 1.00737.35 C ATOM 52734 P C 02506 144.274 113.306 63.836 1.00737.35 P ATOM 52735 O1P C 02506 144.230 114.274 62.711 1.00737.35 O ATOM 52736 O2P C 02506 143.878 113.750 65.199 1.00737.35 O ATOM 52737 O5* C 02506 143.385 112.043 63.443 1.00737.35 O ATOM 52738 C5* C 02506 143.525 111.419 62.169 1.00737.35 C ATOM 52739 C4* C 02506 142.619 110.212 62.069 1.00737.35 C ATOM 52740 O4* C 02506 143.044 109.200 63.017 1.00737.35 O ATOM 52741 C3* C 02506 141.156 110.445 62.408 1.00737.35 C ATOM 52742 O3* C 02506 140.454 110.979 61.289 1.00737.35 O ATOM 52743 C2* C 02506 140.680 109.041 62.768 1.00737.35 C ATOM 52744 O2* C 02506 140.368 108.252 61.637 1.00737.35 O ATOM 52745 C1* C 02506 141.913 108.469 63.471 1.00737.35 C ATOM 52746 N1 C 02506 141.849 108.548 64.946 1.00737.35 N ATOM 52747 C2 C 02506 141.228 107.504 65.654 1.00737.35 C ATOM 52748 O2 C 02506 140.749 106.544 65.026 1.00737.35 O ATOM 52749 N3 C 02506 141.163 107.570 67.005 1.00737.35 N ATOM 52750 C4 C 02506 141.686 108.616 67.648 1.00737.35 C ATOM 52751 N4 C 02506 141.597 108.638 68.980 1.00737.35 N ATOM 52752 C5 C 02506 142.323 109.688 66.956 1.00737.35 C ATOM 52753 C6 C 02506 142.383 109.614 65.620 1.00737.35 C ATOM 52754 P U 02507 139.164 111.913 61.525 1.00737.35 P ATOM 52755 O1P U 02507 138.753 112.436 60.197 1.00737.35 O ATOM 52756 O2P U 02507 139.464 112.862 62.625 1.00737.35 O ATOM 52757 O5* U 02507 138.046 110.898 62.032 1.00737.35 O ATOM 52758 C5* U 02507 137.569 109.853 61.182 1.00737.35 C ATOM 52759 C4* U 02507 136.769 108.849 61.981 1.00737.35 C ATOM 52760 O4* U 02507 137.628 108.224 62.969 1.00737.35 O ATOM 52761 C3* U 02507 135.610 109.408 62.789 1.00737.35 C ATOM 52762 O3* U 02507 134.451 109.553 61.974 1.00737.35 O ATOM 52763 C2* U 02507 135.430 108.347 63.869 1.00737.35 C ATOM 52764 O2* U 02507 134.694 107.224 63.430 1.00737.35 O ATOM 52765 C1* U 02507 136.881 107.941 64.143 1.00737.35 C ATOM 52766 N1 U 02507 137.489 108.655 65.277 1.00737.35 N ATOM 52767 C2 U 02507 137.327 108.116 66.546 1.00737.35 C ATOM 52768 O2 U 02507 136.711 107.084 66.759 1.00737.35 O ATOM 52769 N3 U 02507 137.916 108.834 67.560 1.00737.35 N ATOM 52770 C4 U 02507 138.633 110.007 67.441 1.00737.35 C ATOM 52771 O4 U 02507 139.101 110.533 68.452 1.00737.35 O ATOM 52772 C5 U 02507 138.757 110.499 66.104 1.00737.35 C ATOM 52773 C6 U 02507 138.197 109.826 65.094 1.00737.35 C ATOM 52774 P G 02508 133.181 110.377 62.524 1.00737.35 P ATOM 52775 O1P G 02508 132.263 110.584 61.376 1.00737.35 O ATOM 52776 O2P G 02508 133.666 111.551 63.296 1.00737.35 O ATOM 52777 O5* G 02508 132.483 109.363 63.537 1.00737.35 O ATOM 52778 C5* G 02508 131.243 109.684 64.163 1.00737.35 C ATOM 52779 C4* G 02508 130.283 108.522 64.044 1.00737.35 C ATOM 52780 O4* G 02508 129.980 108.306 62.640 1.00737.35 O ATOM 52781 C3* G 02508 130.815 107.181 64.531 1.00737.35 C ATOM 52782 O3* G 02508 130.601 107.023 65.931 1.00737.35 O ATOM 52783 C2* G 02508 129.981 106.191 63.727 1.00737.35 C ATOM 52784 O2* G 02508 128.697 105.968 64.273 1.00737.35 O ATOM 52785 C1* G 02508 129.855 106.917 62.386 1.00737.35 C ATOM 52786 N9 G 02508 130.878 106.534 61.414 1.00737.35 N ATOM 52787 C8 G 02508 132.162 107.019 61.325 1.00737.35 C ATOM 52788 N7 G 02508 132.844 106.483 60.351 1.00737.35 N ATOM 52789 C5 G 02508 131.961 105.588 59.761 1.00737.35 C ATOM 52790 C6 G 02508 132.138 104.718 58.655 1.00737.35 C ATOM 52791 O6 G 02508 133.142 104.555 57.952 1.00737.35 O ATOM 52792 N1 G 02508 130.984 103.987 58.392 1.00737.35 N ATOM 52793 C2 G 02508 129.811 104.079 59.101 1.00737.35 C ATOM 52794 N2 G 02508 128.810 103.288 58.693 1.00737.35 N ATOM 52795 N3 G 02508 129.633 104.887 60.133 1.00737.35 N ATOM 52796 C4 G 02508 130.742 105.608 60.407 1.00737.35 C ATOM 52797 P A 02509 131.789 106.470 66.864 1.00737.35 P ATOM 52798 O1P A 02509 132.504 105.406 66.112 1.00737.35 O ATOM 52799 O2P A 02509 131.221 106.164 68.200 1.00737.35 O ATOM 52800 O5* A 02509 132.777 107.712 67.018 1.00737.35 O ATOM 52801 C5* A 02509 132.279 109.003 67.356 1.00737.35 C ATOM 52802 C4* A 02509 133.114 109.616 68.454 1.00737.35 C ATOM 52803 O4* A 02509 134.493 109.727 68.011 1.00737.35 O ATOM 52804 C3* A 02509 132.733 111.037 68.838 1.00737.35 C ATOM 52805 O3* A 02509 131.662 111.039 69.777 1.00737.35 O ATOM 52806 C2* A 02509 134.026 111.563 69.450 1.00737.35 C ATOM 52807 O2* A 02509 134.215 111.147 70.788 1.00737.35 O ATOM 52808 C1* A 02509 135.074 110.905 68.549 1.00737.35 C ATOM 52809 N9 A 02509 135.504 111.761 67.442 1.00737.35 N ATOM 52810 C8 A 02509 135.023 111.789 66.154 1.00737.35 C ATOM 52811 N7 A 02509 135.613 112.672 65.386 1.00737.35 N ATOM 52812 C5 A 02509 136.546 113.269 66.223 1.00737.35 C ATOM 52813 C6 A 02509 137.494 114.287 66.012 1.00737.35 C ATOM 52814 N6 A 02509 137.663 114.909 64.842 1.00737.35 N ATOM 52815 N1 A 02509 138.271 114.649 67.055 1.00737.35 N ATOM 52816 C2 A 02509 138.100 114.024 68.226 1.00737.35 C ATOM 52817 N3 A 02509 137.249 113.055 68.550 1.00737.35 N ATOM 52818 C4 A 02509 136.490 112.718 67.492 1.00737.35 C ATOM 52819 P A 02510 130.379 111.975 69.523 1.00737.35 P ATOM 52820 O1P A 02510 129.395 111.656 70.588 1.00737.35 O ATOM 52821 O2P A 02510 129.977 111.859 68.099 1.00737.35 O ATOM 52822 O5* A 02510 130.910 113.455 69.785 1.00737.35 O ATOM 52823 C5* A 02510 131.686 114.149 68.806 1.00737.35 C ATOM 52824 C4* A 02510 131.737 115.623 69.135 1.00737.35 C ATOM 52825 O4* A 02510 130.390 116.165 69.091 1.00737.35 O ATOM 52826 C3* A 02510 132.242 115.958 70.531 1.00737.35 C ATOM 52827 O3* A 02510 133.663 116.063 70.551 1.00737.35 O ATOM 52828 C2* A 02510 131.570 117.295 70.812 1.00737.35 C ATOM 52829 O2* A 02510 132.234 118.389 70.208 1.00737.35 O ATOM 52830 C1* A 02510 130.204 117.090 70.151 1.00737.35 C ATOM 52831 N9 A 02510 129.182 116.552 71.054 1.00737.35 N ATOM 52832 C8 A 02510 128.429 115.413 70.889 1.00737.35 C ATOM 52833 N7 A 02510 127.587 115.189 71.868 1.00737.35 N ATOM 52834 C5 A 02510 127.797 116.249 72.738 1.00737.35 C ATOM 52835 C6 A 02510 127.214 116.589 73.970 1.00737.35 C ATOM 52836 N6 A 02510 126.257 115.866 74.559 1.00737.35 N ATOM 52837 N1 A 02510 127.648 117.710 74.584 1.00737.35 N ATOM 52838 C2 A 02510 128.603 118.434 73.990 1.00737.35 C ATOM 52839 N3 A 02510 129.230 118.218 72.834 1.00737.35 N ATOM 52840 C4 A 02510 128.775 117.097 72.252 1.00737.35 C ATOM 52841 P G 02511 134.503 115.314 71.697 1.00737.35 P ATOM 52842 O1P G 02511 135.900 115.815 71.622 1.00737.35 O ATOM 52843 O2P G 02511 134.241 113.856 71.586 1.00737.35 O ATOM 52844 O5* G 02511 133.853 115.831 73.058 1.00737.35 O ATOM 52845 C5* G 02511 134.180 117.112 73.594 1.00737.35 C ATOM 52846 C4* G 02511 133.562 117.279 74.962 1.00737.35 C ATOM 52847 O4* G 02511 132.115 117.293 74.840 1.00737.35 O ATOM 52848 C3* G 02511 133.849 116.157 75.950 1.00737.35 C ATOM 52849 O3* G 02511 135.095 116.367 76.612 1.00737.35 O ATOM 52850 C2* G 02511 132.668 116.254 76.908 1.00737.35 C ATOM 52851 O2* G 02511 132.827 117.264 77.884 1.00737.35 O ATOM 52852 C1* G 02511 131.533 116.634 75.954 1.00737.35 C ATOM 52853 N9 G 02511 130.767 115.488 75.464 1.00737.35 N ATOM 52854 C8 G 02511 130.936 114.820 74.274 1.00737.35 C ATOM 52855 N7 G 02511 130.096 113.837 74.111 1.00737.35 N ATOM 52856 C5 G 02511 129.321 113.853 75.263 1.00737.35 C ATOM 52857 C6 G 02511 128.242 113.018 75.656 1.00737.35 C ATOM 52858 O6 G 02511 127.738 112.069 75.043 1.00737.35 O ATOM 52859 N1 G 02511 127.745 113.380 76.903 1.00737.35 N ATOM 52860 C2 G 02511 128.219 114.411 77.673 1.00737.35 C ATOM 52861 N2 G 02511 127.606 114.601 78.851 1.00737.35 N ATOM 52862 N3 G 02511 129.222 115.199 77.319 1.00737.35 N ATOM 52863 C4 G 02511 129.724 114.865 76.110 1.00737.35 C ATOM 52864 P A 02512 136.081 115.123 76.868 1.00737.35 P ATOM 52865 O1P A 02512 137.266 115.645 77.596 1.00737.35 O ATOM 52866 O2P A 02512 136.271 114.404 75.582 1.00737.35 O ATOM 52867 O5* A 02512 135.264 114.176 77.853 1.00737.35 O ATOM 52868 C5* A 02512 135.006 114.566 79.202 1.00737.35 C ATOM 52869 C4* A 02512 134.022 113.615 79.842 1.00737.35 C ATOM 52870 O4* A 02512 132.753 113.696 79.142 1.00737.35 O ATOM 52871 C3* A 02512 134.391 112.141 79.785 1.00737.35 C ATOM 52872 O3* A 02512 135.260 111.787 80.858 1.00737.35 O ATOM 52873 C2* A 02512 133.032 111.462 79.910 1.00737.35 C ATOM 52874 O2* A 02512 132.570 111.384 81.243 1.00737.35 O ATOM 52875 C1* A 02512 132.143 112.413 79.106 1.00737.35 C ATOM 52876 N9 A 02512 131.981 112.018 77.707 1.00737.35 N ATOM 52877 C8 A 02512 132.745 112.389 76.626 1.00737.35 C ATOM 52878 N7 A 02512 132.348 111.864 75.492 1.00737.35 N ATOM 52879 C5 A 02512 131.250 111.094 75.846 1.00737.35 C ATOM 52880 C6 A 02512 130.380 110.282 75.096 1.00737.35 C ATOM 52881 N6 A 02512 130.487 110.107 73.778 1.00737.35 N ATOM 52882 N1 A 02512 129.386 109.649 75.754 1.00737.35 N ATOM 52883 C2 A 02512 129.280 109.828 77.077 1.00737.35 C ATOM 52884 N3 A 02512 130.032 110.565 77.892 1.00737.35 N ATOM 52885 C4 A 02512 131.011 111.178 77.207 1.00737.35 C ATOM 52886 P A 02513 136.358 110.629 80.648 1.00737.35 P ATOM 52887 O1P A 02513 137.066 110.451 81.942 1.00737.35 O ATOM 52888 O2P A 02513 137.138 110.937 79.422 1.00737.35 O ATOM 52889 O5* A 02513 135.491 109.319 80.370 1.00737.35 O ATOM 52890 C5* A 02513 134.644 108.769 81.379 1.00737.35 C ATOM 52891 C4* A 02513 133.704 107.750 80.778 1.00737.35 C ATOM 52892 O4* A 02513 132.857 108.404 79.795 1.00737.35 O ATOM 52893 C3* A 02513 134.364 106.613 80.012 1.00737.35 C ATOM 52894 O3* A 02513 134.764 105.561 80.885 1.00737.35 O ATOM 52895 C2* A 02513 133.250 106.178 79.065 1.00737.35 C ATOM 52896 O2* A 02513 132.291 105.339 79.681 1.00737.35 O ATOM 52897 C1* A 02513 132.614 107.522 78.709 1.00737.35 C ATOM 52898 N9 A 02513 133.174 108.117 77.494 1.00737.35 N ATOM 52899 C8 A 02513 134.191 109.037 77.391 1.00737.35 C ATOM 52900 N7 A 02513 134.473 109.378 76.157 1.00737.35 N ATOM 52901 C5 A 02513 133.580 108.638 75.394 1.00737.35 C ATOM 52902 C6 A 02513 133.371 108.551 74.006 1.00737.35 C ATOM 52903 N6 A 02513 134.072 109.243 73.106 1.00737.35 N ATOM 52904 N1 A 02513 132.402 107.716 73.571 1.00737.35 N ATOM 52905 C2 A 02513 131.698 107.022 74.474 1.00737.35 C ATOM 52906 N3 A 02513 131.801 107.021 75.802 1.00737.35 N ATOM 52907 C4 A 02513 132.773 107.857 76.203 1.00737.35 C ATOM 52908 P G 02514 135.865 104.498 80.396 1.00737.35 P ATOM 52909 O1P G 02514 135.981 103.461 81.453 1.00737.35 O ATOM 52910 O2P G 02514 137.078 105.241 79.964 1.00737.35 O ATOM 52911 O5* G 02514 135.199 103.824 79.113 1.00737.35 O ATOM 52912 C5* G 02514 135.986 103.117 78.157 1.00737.35 C ATOM 52913 C4* G 02514 135.169 102.840 76.918 1.00737.35 C ATOM 52914 O4* G 02514 134.652 104.093 76.394 1.00737.35 O ATOM 52915 C3* G 02514 135.929 102.228 75.753 1.00737.35 C ATOM 52916 O3* G 02514 136.017 100.813 75.878 1.00737.35 O ATOM 52917 C2* G 02514 135.075 102.641 74.559 1.00737.35 C ATOM 52918 O2* G 02514 133.940 101.815 74.377 1.00737.35 O ATOM 52919 C1* G 02514 134.634 104.045 74.975 1.00737.35 C ATOM 52920 N9 G 02514 135.506 105.098 74.463 1.00737.35 N ATOM 52921 C8 G 02514 136.591 105.661 75.094 1.00737.35 C ATOM 52922 N7 G 02514 137.180 106.581 74.380 1.00737.35 N ATOM 52923 C5 G 02514 136.441 106.632 73.205 1.00737.35 C ATOM 52924 C6 G 02514 136.603 107.442 72.052 1.00737.35 C ATOM 52925 O6 G 02514 137.462 108.305 71.831 1.00737.35 O ATOM 52926 N1 G 02514 135.631 107.169 71.095 1.00737.35 N ATOM 52927 C2 G 02514 134.633 106.236 71.227 1.00737.35 C ATOM 52928 N2 G 02514 133.790 106.121 70.190 1.00737.35 N ATOM 52929 N3 G 02514 134.469 105.475 72.297 1.00737.35 N ATOM 52930 C4 G 02514 135.403 105.724 73.241 1.00737.35 C ATOM 52931 P G 02515 137.233 100.026 75.179 1.00737.35 P ATOM 52932 O1P G 02515 137.042 98.581 75.459 1.00737.35 O ATOM 52933 O2P G 02515 138.507 100.684 75.570 1.00737.35 O ATOM 52934 O5* G 02515 137.003 100.272 73.620 1.00737.35 O ATOM 52935 C5* G 02515 135.918 99.650 72.932 1.00737.35 C ATOM 52936 C4* G 02515 136.032 99.894 71.444 1.00737.35 C ATOM 52937 O4* G 02515 135.840 101.304 71.162 1.00737.35 O ATOM 52938 C3* G 02515 137.380 99.562 70.824 1.00737.35 C ATOM 52939 O3* G 02515 137.462 98.173 70.516 1.00737.35 O ATOM 52940 C2* G 02515 137.386 100.433 69.570 1.00737.35 C ATOM 52941 O2* G 02515 136.686 99.851 68.488 1.00737.35 O ATOM 52942 C1* G 02515 136.640 101.681 70.053 1.00737.35 C ATOM 52943 N9 G 02515 137.506 102.787 70.456 1.00737.35 N ATOM 52944 C8 G 02515 137.801 103.188 71.740 1.00737.35 C ATOM 52945 N7 G 02515 138.595 104.224 71.785 1.00737.35 N ATOM 52946 C5 G 02515 138.844 104.526 70.452 1.00737.35 C ATOM 52947 C6 G 02515 139.642 105.553 69.874 1.00737.35 C ATOM 52948 O6 G 02515 140.302 106.428 70.443 1.00737.35 O ATOM 52949 N1 G 02515 139.618 105.491 68.485 1.00737.35 N ATOM 52950 C2 G 02515 138.925 104.569 67.745 1.00737.35 C ATOM 52951 N2 G 02515 139.037 104.677 66.413 1.00737.35 N ATOM 52952 N3 G 02515 138.176 103.611 68.267 1.00737.35 N ATOM 52953 C4 G 02515 138.183 103.649 69.619 1.00737.35 C ATOM 52954 P U 02516 138.819 97.365 70.815 1.00737.35 P ATOM 52955 O1P U 02516 138.509 95.911 70.754 1.00737.35 O ATOM 52956 O2P U 02516 139.428 97.929 72.047 1.00737.35 O ATOM 52957 O5* U 02516 139.766 97.732 69.588 1.00737.35 O ATOM 52958 C5* U 02516 139.534 97.181 68.292 1.00737.35 C ATOM 52959 C4* U 02516 140.377 97.894 67.261 1.00737.35 C ATOM 52960 O4* U 02516 139.975 99.288 67.195 1.00737.35 O ATOM 52961 C3* U 02516 141.870 97.944 67.546 1.00737.35 C ATOM 52962 O3* U 02516 142.520 96.756 67.101 1.00737.35 O ATOM 52963 C2* U 02516 142.305 99.172 66.756 1.00737.35 C ATOM 52964 O2* U 02516 142.472 98.914 65.375 1.00737.35 O ATOM 52965 C1* U 02516 141.111 100.105 66.971 1.00737.35 C ATOM 52966 N1 U 02516 141.275 101.010 68.121 1.00737.35 N ATOM 52967 C2 U 02516 141.852 102.252 67.896 1.00737.35 C ATOM 52968 O2 U 02516 142.224 102.627 66.796 1.00737.35 O ATOM 52969 N3 U 02516 141.981 103.039 69.013 1.00737.35 N ATOM 52970 C4 U 02516 141.600 102.727 70.303 1.00737.35 C ATOM 52971 O4 U 02516 141.788 103.545 71.205 1.00737.35 O ATOM 52972 C5 U 02516 141.011 101.433 70.454 1.00737.35 C ATOM 52973 C6 U 02516 140.872 100.640 69.388 1.00737.35 C ATOM 52974 P C 02517 143.891 96.285 67.799 1.00737.35 P ATOM 52975 O1P C 02517 144.179 94.898 67.355 1.00737.35 O ATOM 52976 O2P C 02517 143.788 96.581 69.252 1.00737.35 O ATOM 52977 O5* C 02517 144.994 97.254 67.176 1.00737.35 O ATOM 52978 C5* C 02517 145.354 97.158 65.800 1.00737.35 C ATOM 52979 C4* C 02517 146.124 98.386 65.368 1.00737.35 C ATOM 52980 O4* C 02517 145.289 99.562 65.549 1.00737.35 O ATOM 52981 C3* C 02517 147.383 98.707 66.159 1.00737.35 C ATOM 52982 O3* C 02517 148.498 97.952 65.693 1.00737.35 O ATOM 52983 C2* C 02517 147.554 100.197 65.889 1.00737.35 C ATOM 52984 O2* C 02517 148.135 100.474 64.630 1.00737.35 O ATOM 52985 C1* C 02517 146.100 100.671 65.906 1.00737.35 C ATOM 52986 N1 C 02517 145.676 101.166 67.233 1.00737.35 N ATOM 52987 C2 C 02517 145.834 102.531 67.527 1.00737.35 C ATOM 52988 O2 C 02517 146.309 103.286 66.661 1.00737.35 O ATOM 52989 N3 C 02517 145.467 102.989 68.745 1.00737.35 N ATOM 52990 C4 C 02517 144.964 102.149 69.652 1.00737.35 C ATOM 52991 N4 C 02517 144.630 102.646 70.846 1.00737.35 N ATOM 52992 C5 C 02517 144.786 100.761 69.378 1.00737.35 C ATOM 52993 C6 C 02517 145.150 100.318 68.168 1.00737.35 C ATOM 52994 P C 02518 149.795 97.784 66.633 1.00737.35 P ATOM 52995 O1P C 02518 150.708 96.808 65.987 1.00737.35 O ATOM 52996 O2P C 02518 149.323 97.538 68.020 1.00737.35 O ATOM 52997 O5* C 02518 150.487 99.220 66.595 1.00737.35 O ATOM 52998 C5* C 02518 151.064 99.724 65.392 1.00737.35 C ATOM 52999 C4* C 02518 151.860 100.980 65.665 1.00737.35 C ATOM 53000 O4* C 02518 150.971 102.043 66.097 1.00737.35 O ATOM 53001 C3* C 02518 152.896 100.895 66.775 1.00737.35 C ATOM 53002 O3* C 02518 154.104 100.305 66.302 1.00737.35 O ATOM 53003 C2* C 02518 153.086 102.360 67.150 1.00737.35 C ATOM 53004 O2* C 02518 153.969 103.046 66.282 1.00737.35 O ATOM 53005 C1* C 02518 151.667 102.909 66.982 1.00737.35 C ATOM 53006 N1 C 02518 150.911 103.017 68.249 1.00737.35 N ATOM 53007 C2 C 02518 151.088 104.162 69.047 1.00737.35 C ATOM 53008 O2 C 02518 151.874 105.050 68.670 1.00737.35 O ATOM 53009 N3 C 02518 150.401 104.270 70.206 1.00737.35 N ATOM 53010 C4 C 02518 149.567 103.296 70.583 1.00737.35 C ATOM 53011 N4 C 02518 148.910 103.448 71.736 1.00737.35 N ATOM 53012 C5 C 02518 149.370 102.126 69.794 1.00737.35 C ATOM 53013 C6 C 02518 150.054 102.027 68.646 1.00737.35 C ATOM 53014 P C 02519 155.110 99.603 67.343 1.00737.35 P ATOM 53015 O1P C 02519 156.191 98.944 66.565 1.00737.35 O ATOM 53016 O2P C 02519 154.295 98.799 68.289 1.00737.35 O ATOM 53017 O5* C 02519 155.740 100.824 68.150 1.00737.35 O ATOM 53018 C5* C 02519 156.640 101.735 67.519 1.00737.35 C ATOM 53019 C4* C 02519 157.036 102.834 68.476 1.00737.35 C ATOM 53020 O4* C 02519 155.870 103.631 68.808 1.00737.35 O ATOM 53021 C3* C 02519 157.578 102.379 69.821 1.00737.35 C ATOM 53022 O3* C 02519 158.972 102.095 69.731 1.00737.35 O ATOM 53023 C2* C 02519 157.303 103.585 70.713 1.00737.35 C ATOM 53024 O2* C 02519 158.288 104.595 70.597 1.00737.35 O ATOM 53025 C1* C 02519 155.975 104.094 70.145 1.00737.35 C ATOM 53026 N1 C 02519 154.782 103.651 70.898 1.00737.35 N ATOM 53027 C2 C 02519 154.362 104.404 72.010 1.00737.35 C ATOM 53028 O2 C 02519 155.010 105.413 72.341 1.00737.35 O ATOM 53029 N3 C 02519 153.265 104.011 72.696 1.00737.35 N ATOM 53030 C4 C 02519 152.596 102.921 72.319 1.00737.35 C ATOM 53031 N4 C 02519 151.515 102.576 73.023 1.00737.35 N ATOM 53032 C5 C 02519 153.004 102.134 71.201 1.00737.35 C ATOM 53033 C6 C 02519 154.089 102.533 70.527 1.00737.35 C ATOM 53034 P A 02520 159.616 100.939 70.646 1.00737.35 P ATOM 53035 O1P A 02520 161.071 100.875 70.353 1.00737.35 O ATOM 53036 O2P A 02520 158.781 99.722 70.487 1.00737.35 O ATOM 53037 O5* A 02520 159.428 101.475 72.134 1.00737.35 O ATOM 53038 C5* A 02520 160.074 102.668 72.577 1.00737.35 C ATOM 53039 C4* A 02520 159.492 103.118 73.896 1.00737.35 C ATOM 53040 O4* A 02520 158.090 103.439 73.714 1.00737.35 O ATOM 53041 C3* A 02520 159.513 102.076 75.005 1.00737.35 C ATOM 53042 O3* A 02520 160.759 102.118 75.699 1.00737.35 O ATOM 53043 C2* A 02520 158.349 102.511 75.887 1.00737.35 C ATOM 53044 O2* A 02520 158.684 103.560 76.775 1.00737.35 O ATOM 53045 C1* A 02520 157.347 103.019 74.846 1.00737.35 C ATOM 53046 N9 A 02520 156.374 102.018 74.406 1.00737.35 N ATOM 53047 C8 A 02520 156.521 101.076 73.416 1.00737.35 C ATOM 53048 N7 A 02520 155.461 100.325 73.239 1.00737.35 N ATOM 53049 C5 A 02520 154.556 100.801 74.176 1.00737.35 C ATOM 53050 C6 A 02520 153.239 100.420 74.498 1.00737.35 C ATOM 53051 N6 A 02520 152.581 99.439 73.878 1.00737.35 N ATOM 53052 N1 A 02520 152.615 101.095 75.487 1.00737.35 N ATOM 53053 C2 A 02520 153.277 102.081 76.105 1.00737.35 C ATOM 53054 N3 A 02520 154.512 102.532 75.896 1.00737.35 N ATOM 53055 C4 A 02520 155.105 101.841 74.907 1.00737.35 C ATOM 53056 P A 02521 161.421 100.755 76.241 1.00737.35 P ATOM 53057 O1P A 02521 162.838 101.043 76.586 1.00737.35 O ATOM 53058 O2P A 02521 161.111 99.675 75.269 1.00737.35 O ATOM 53059 O5* A 02521 160.632 100.450 77.590 1.00737.35 O ATOM 53060 C5* A 02521 160.994 99.346 78.416 1.00737.35 C ATOM 53061 C4* A 02521 159.936 99.109 79.466 1.00737.35 C ATOM 53062 O4* A 02521 158.649 98.953 78.819 1.00737.35 O ATOM 53063 C3* A 02521 160.108 97.845 80.296 1.00737.35 C ATOM 53064 O3* A 02521 160.934 98.114 81.425 1.00737.35 O ATOM 53065 C2* A 02521 158.680 97.555 80.753 1.00737.35 C ATOM 53066 O2* A 02521 158.312 98.288 81.902 1.00737.35 O ATOM 53067 C1* A 02521 157.858 98.043 79.556 1.00737.35 C ATOM 53068 N9 A 02521 157.395 96.986 78.657 1.00737.35 N ATOM 53069 C8 A 02521 158.044 96.431 77.579 1.00737.35 C ATOM 53070 N7 A 02521 157.343 95.516 76.955 1.00737.35 N ATOM 53071 C5 A 02521 156.155 95.460 77.673 1.00737.35 C ATOM 53072 C6 A 02521 154.989 94.691 77.516 1.00737.35 C ATOM 53073 N6 A 02521 154.813 93.802 76.537 1.00737.35 N ATOM 53074 N1 A 02521 153.991 94.876 78.406 1.00737.35 N ATOM 53075 C2 A 02521 154.161 95.781 79.379 1.00737.35 C ATOM 53076 N3 A 02521 155.201 96.567 79.626 1.00737.35 N ATOM 53077 C4 A 02521 156.178 96.355 78.727 1.00737.35 C ATOM 53078 P G 02522 162.469 97.632 81.439 1.00737.35 P ATOM 53079 O1P G 02522 163.001 97.712 80.054 1.00737.35 O ATOM 53080 O2P G 02522 162.548 96.349 82.182 1.00737.35 O ATOM 53081 O5* G 02522 163.191 98.758 82.310 1.00737.35 O ATOM 53082 C5* G 02522 162.825 100.126 82.153 1.00737.35 C ATOM 53083 C4* G 02522 162.371 100.709 83.472 1.00737.35 C ATOM 53084 O4* G 02522 161.746 101.997 83.206 1.00737.35 O ATOM 53085 C3* G 02522 161.297 99.910 84.202 1.00737.35 C ATOM 53086 O3* G 02522 161.884 98.927 85.049 1.00737.35 O ATOM 53087 C2* G 02522 160.575 100.989 84.998 1.00737.35 C ATOM 53088 O2* G 02522 161.267 101.376 86.169 1.00737.35 O ATOM 53089 C1* G 02522 160.574 102.142 83.992 1.00737.35 C ATOM 53090 N9 G 02522 159.415 102.112 83.102 1.00737.35 N ATOM 53091 C8 G 02522 159.380 101.676 81.797 1.00737.35 C ATOM 53092 N7 G 02522 158.196 101.756 81.260 1.00737.35 N ATOM 53093 C5 G 02522 157.395 102.276 82.267 1.00737.35 C ATOM 53094 C6 G 02522 156.008 102.582 82.273 1.00737.35 C ATOM 53095 O6 G 02522 155.186 102.447 81.359 1.00737.35 O ATOM 53096 N1 G 02522 155.603 103.090 83.501 1.00737.35 N ATOM 53097 C2 G 02522 156.421 103.282 84.587 1.00737.35 C ATOM 53098 N2 G 02522 155.840 103.787 85.682 1.00737.35 N ATOM 53099 N3 G 02522 157.714 103.000 84.596 1.00737.35 N ATOM 53100 C4 G 02522 158.130 102.504 83.412 1.00737.35 C ATOM 53101 P G 02523 161.062 97.597 85.425 1.00737.35 P ATOM 53102 O1P G 02523 161.950 96.752 86.264 1.00737.35 O ATOM 53103 O2P G 02523 160.481 97.033 84.178 1.00737.35 O ATOM 53104 O5* G 02523 159.865 98.118 86.339 1.00737.35 O ATOM 53105 C5* G 02523 160.120 98.857 87.535 1.00737.35 C ATOM 53106 C4* G 02523 158.830 99.413 88.094 1.00737.35 C ATOM 53107 O4* G 02523 158.195 100.242 87.085 1.00737.35 O ATOM 53108 C3* G 02523 157.769 98.386 88.465 1.00737.35 C ATOM 53109 O3* G 02523 157.977 97.895 89.788 1.00737.35 O ATOM 53110 C2* G 02523 156.486 99.198 88.359 1.00737.35 C ATOM 53111 O2* G 02523 156.250 100.014 89.489 1.00737.35 O ATOM 53112 C1* G 02523 156.787 100.078 87.143 1.00737.35 C ATOM 53113 N9 G 02523 156.333 99.498 85.881 1.00737.35 N ATOM 53114 C8 G 02523 157.113 98.940 84.896 1.00737.35 C ATOM 53115 N7 G 02523 156.421 98.502 83.881 1.00737.35 N ATOM 53116 C5 G 02523 155.105 98.785 84.212 1.00737.35 C ATOM 53117 C6 G 02523 153.904 98.540 83.496 1.00737.35 C ATOM 53118 O6 G 02523 153.764 98.007 82.386 1.00737.35 O ATOM 53119 N1 G 02523 152.790 98.983 84.200 1.00737.35 N ATOM 53120 C2 G 02523 152.821 99.588 85.431 1.00737.35 C ATOM 53121 N2 G 02523 151.635 99.946 85.945 1.00737.35 N ATOM 53122 N3 G 02523 153.934 99.827 86.110 1.00737.35 N ATOM 53123 C4 G 02523 155.030 99.400 85.446 1.00737.35 C ATOM 53124 P G 02524 157.382 96.462 90.213 1.00737.35 P ATOM 53125 O1P G 02524 157.820 96.199 91.608 1.00737.35 O ATOM 53126 O2P G 02524 157.710 95.481 89.147 1.00737.35 O ATOM 53127 O5* G 02524 155.804 96.678 90.221 1.00737.35 O ATOM 53128 C5* G 02524 155.201 97.654 91.071 1.00737.35 C ATOM 53129 C4* G 02524 153.734 97.810 90.739 1.00737.35 C ATOM 53130 O4* G 02524 153.601 98.209 89.347 1.00737.35 O ATOM 53131 C3* G 02524 152.891 96.549 90.847 1.00737.35 C ATOM 53132 O3* G 02524 152.442 96.344 92.184 1.00737.35 O ATOM 53133 C2* G 02524 151.733 96.856 89.907 1.00737.35 C ATOM 53134 O2* G 02524 150.753 97.694 90.486 1.00737.35 O ATOM 53135 C1* G 02524 152.451 97.600 88.779 1.00737.35 C ATOM 53136 N9 G 02524 152.880 96.711 87.700 1.00737.35 N ATOM 53137 C8 G 02524 154.152 96.247 87.463 1.00737.35 C ATOM 53138 N7 G 02524 154.226 95.456 86.429 1.00737.35 N ATOM 53139 C5 G 02524 152.924 95.396 85.948 1.00737.35 C ATOM 53140 C6 G 02524 152.387 94.687 84.843 1.00737.35 C ATOM 53141 O6 G 02524 152.971 93.946 84.044 1.00737.35 O ATOM 53142 N1 G 02524 151.020 94.905 84.712 1.00737.35 N ATOM 53143 C2 G 02524 150.264 95.701 85.536 1.00737.35 C ATOM 53144 N2 G 02524 148.955 95.783 85.239 1.00737.35 N ATOM 53145 N3 G 02524 150.751 96.365 86.573 1.00737.35 N ATOM 53146 C4 G 02524 152.081 96.168 86.718 1.00737.35 C ATOM 53147 P U 02525 152.276 94.849 92.751 1.00737.35 P ATOM 53148 O1P U 02525 151.637 94.927 94.091 1.00737.35 O ATOM 53149 O2P U 02525 153.588 94.166 92.605 1.00737.35 O ATOM 53150 O5* U 02525 151.247 94.157 91.746 1.00737.35 O ATOM 53151 C5* U 02525 149.934 94.684 91.565 1.00737.35 C ATOM 53152 C4* U 02525 149.259 94.020 90.386 1.00737.35 C ATOM 53153 O4* U 02525 150.041 94.263 89.188 1.00737.35 O ATOM 53154 C3* U 02525 149.143 92.504 90.458 1.00737.35 C ATOM 53155 O3* U 02525 147.981 92.127 91.193 1.00737.35 O ATOM 53156 C2* U 02525 149.036 92.116 88.987 1.00737.35 C ATOM 53157 O2* U 02525 147.729 92.267 88.467 1.00737.35 O ATOM 53158 C1* U 02525 149.973 93.134 88.332 1.00737.35 C ATOM 53159 N1 U 02525 151.339 92.624 88.114 1.00737.35 N ATOM 53160 C2 U 02525 151.595 91.949 86.926 1.00737.35 C ATOM 53161 O2 U 02525 150.748 91.761 86.067 1.00737.35 O ATOM 53162 N3 U 02525 152.884 91.501 86.783 1.00737.35 N ATOM 53163 C4 U 02525 153.923 91.653 87.679 1.00737.35 C ATOM 53164 O4 U 02525 155.032 91.189 87.403 1.00737.35 O ATOM 53165 C5 U 02525 153.583 92.357 88.875 1.00737.35 C ATOM 53166 C6 U 02525 152.337 92.807 89.048 1.00737.35 C ATOM 53167 P U 02526 147.943 90.717 91.964 1.00737.35 P ATOM 53168 O1P U 02526 149.321 90.361 92.397 1.00737.35 O ATOM 53169 O2P U 02526 147.177 89.771 91.114 1.00737.35 O ATOM 53170 O5* U 02526 147.074 91.023 93.264 1.00737.35 O ATOM 53171 C5* U 02526 147.534 91.948 94.246 1.00737.35 C ATOM 53172 C4* U 02526 146.537 92.066 95.375 1.00737.35 C ATOM 53173 O4* U 02526 145.297 92.637 94.877 1.00737.35 O ATOM 53174 C3* U 02526 146.102 90.764 96.027 1.00737.35 C ATOM 53175 O3* U 02526 147.052 90.329 96.996 1.00737.35 O ATOM 53176 C2* U 02526 144.774 91.154 96.663 1.00737.35 C ATOM 53177 O2* U 02526 144.927 91.834 97.895 1.00737.35 O ATOM 53178 C1* U 02526 144.204 92.114 95.616 1.00737.35 C ATOM 53179 N1 U 02526 143.255 91.475 94.685 1.00737.35 N ATOM 53180 C2 U 02526 141.945 91.314 95.115 1.00737.35 C ATOM 53181 O2 U 02526 141.552 91.669 96.215 1.00737.35 O ATOM 53182 N3 U 02526 141.106 90.717 94.203 1.00737.35 N ATOM 53183 C4 U 02526 141.430 90.276 92.939 1.00737.35 C ATOM 53184 O4 U 02526 140.555 89.771 92.234 1.00737.35 O ATOM 53185 C5 U 02526 142.798 90.473 92.568 1.00737.35 C ATOM 53186 C6 U 02526 143.643 91.052 93.430 1.00737.35 C ATOM 53187 P G 02527 147.065 88.791 97.467 1.00737.35 P ATOM 53188 O1P G 02527 148.239 88.589 98.354 1.00737.35 O ATOM 53189 O2P G 02527 146.906 87.942 96.258 1.00737.35 O ATOM 53190 O5* G 02527 145.741 88.653 98.345 1.00737.35 O ATOM 53191 C5* G 02527 145.609 89.351 99.579 1.00737.35 C ATOM 53192 C4* G 02527 144.203 89.218 100.117 1.00737.35 C ATOM 53193 O4* G 02527 143.266 89.861 99.210 1.00737.35 O ATOM 53194 C3* G 02527 143.668 87.802 100.248 1.00737.35 C ATOM 53195 O3* G 02527 144.115 87.183 101.450 1.00737.35 O ATOM 53196 C2* G 02527 142.160 88.028 100.252 1.00737.35 C ATOM 53197 O2* G 02527 141.661 88.430 101.512 1.00737.35 O ATOM 53198 C1* G 02527 142.022 89.177 99.249 1.00737.35 C ATOM 53199 N9 G 02527 141.688 88.726 97.900 1.00737.35 N ATOM 53200 C8 G 02527 142.558 88.446 96.872 1.00737.35 C ATOM 53201 N7 G 02527 141.956 88.059 95.782 1.00737.35 N ATOM 53202 C5 G 02527 140.605 88.081 96.107 1.00737.35 C ATOM 53203 C6 G 02527 139.465 87.759 95.324 1.00737.35 C ATOM 53204 O6 G 02527 139.416 87.379 94.147 1.00737.35 O ATOM 53205 N1 G 02527 138.287 87.923 96.048 1.00737.35 N ATOM 53206 C2 G 02527 138.213 88.339 97.353 1.00737.35 C ATOM 53207 N2 G 02527 136.980 88.433 97.875 1.00737.35 N ATOM 53208 N3 G 02527 139.268 88.642 98.092 1.00737.35 N ATOM 53209 C4 G 02527 140.423 88.493 97.411 1.00737.35 C ATOM 53210 P G 02528 144.103 85.580 101.572 1.00737.35 P ATOM 53211 O1P G 02528 144.509 85.223 102.954 1.00737.35 O ATOM 53212 O2P G 02528 144.863 85.037 100.417 1.00737.35 O ATOM 53213 O5* G 02528 142.565 85.204 101.386 1.00737.35 O ATOM 53214 C5* G 02528 142.165 83.894 100.993 1.00737.35 C ATOM 53215 C4* G 02528 140.659 83.812 100.912 1.00737.35 C ATOM 53216 O4* G 02528 140.177 84.804 99.966 1.00737.35 O ATOM 53217 C3* G 02528 140.099 82.498 100.393 1.00737.35 C ATOM 53218 O3* G 02528 139.994 81.539 101.442 1.00737.35 O ATOM 53219 C2* G 02528 138.735 82.916 99.861 1.00737.35 C ATOM 53220 O2* G 02528 137.759 83.043 100.878 1.00737.35 O ATOM 53221 C1* G 02528 139.049 84.294 99.272 1.00737.35 C ATOM 53222 N9 G 02528 139.360 84.255 97.843 1.00737.35 N ATOM 53223 C8 G 02528 140.606 84.291 97.259 1.00737.35 C ATOM 53224 N7 G 02528 140.561 84.238 95.956 1.00737.35 N ATOM 53225 C5 G 02528 139.208 84.164 95.658 1.00737.35 C ATOM 53226 C6 G 02528 138.546 84.085 94.405 1.00737.35 C ATOM 53227 O6 G 02528 139.038 84.063 93.270 1.00737.35 O ATOM 53228 N1 G 02528 137.164 84.028 94.562 1.00737.35 N ATOM 53229 C2 G 02528 136.504 84.042 95.764 1.00737.35 C ATOM 53230 N2 G 02528 135.166 83.976 95.706 1.00737.35 N ATOM 53231 N3 G 02528 137.109 84.117 96.939 1.00737.35 N ATOM 53232 C4 G 02528 138.451 84.175 96.811 1.00737.35 C ATOM 53233 P G 02529 139.928 79.972 101.084 1.00737.35 P ATOM 53234 O1P G 02529 139.873 79.206 102.356 1.00737.35 O ATOM 53235 O2P G 02529 141.005 79.686 100.103 1.00737.35 O ATOM 53236 O5* G 02529 138.530 79.808 100.342 1.00737.35 O ATOM 53237 C5* G 02529 137.304 79.805 101.074 1.00737.35 C ATOM 53238 C4* G 02529 136.174 79.313 100.203 1.00737.35 C ATOM 53239 O4* G 02529 135.922 80.275 99.144 1.00737.35 O ATOM 53240 C3* G 02529 136.439 78.007 99.473 1.00737.35 C ATOM 53241 O3* G 02529 136.164 76.886 100.305 1.00737.35 O ATOM 53242 C2* G 02529 135.481 78.101 98.289 1.00737.35 C ATOM 53243 O2* G 02529 134.153 77.760 98.628 1.00737.35 O ATOM 53244 C1* G 02529 135.564 79.592 97.954 1.00737.35 C ATOM 53245 N9 G 02529 136.558 79.903 96.928 1.00737.35 N ATOM 53246 C8 G 02529 137.878 80.233 97.123 1.00737.35 C ATOM 53247 N7 G 02529 138.520 80.459 96.011 1.00737.35 N ATOM 53248 C5 G 02529 137.569 80.266 95.019 1.00737.35 C ATOM 53249 C6 G 02529 137.678 80.370 93.608 1.00737.35 C ATOM 53250 O6 G 02529 138.672 80.665 92.931 1.00737.35 O ATOM 53251 N1 G 02529 136.470 80.090 92.979 1.00737.35 N ATOM 53252 C2 G 02529 135.304 79.752 93.622 1.00737.35 C ATOM 53253 N2 G 02529 134.242 79.518 92.838 1.00737.35 N ATOM 53254 N3 G 02529 135.188 79.653 94.936 1.00737.35 N ATOM 53255 C4 G 02529 136.351 79.921 95.568 1.00737.35 C ATOM 53256 P C 02530 137.062 75.558 100.173 1.00737.35 P ATOM 53257 O1P C 02530 136.596 74.607 101.216 1.00737.35 O ATOM 53258 O2P C 02530 138.491 75.958 100.133 1.00737.35 O ATOM 53259 O5* C 02530 136.668 74.970 98.746 1.00737.35 O ATOM 53260 C5* C 02530 135.381 74.400 98.520 1.00737.35 C ATOM 53261 C4* C 02530 135.272 73.882 97.105 1.00737.35 C ATOM 53262 O4* C 02530 135.328 74.990 96.171 1.00737.35 O ATOM 53263 C3* C 02530 136.386 72.959 96.643 1.00737.35 C ATOM 53264 O3* C 02530 136.159 71.625 97.089 1.00737.35 O ATOM 53265 C2* C 02530 136.296 73.079 95.126 1.00737.35 C ATOM 53266 O2* C 02530 135.297 72.251 94.563 1.00737.35 O ATOM 53267 C1* C 02530 135.899 74.550 94.951 1.00737.35 C ATOM 53268 N1 C 02530 137.025 75.441 94.596 1.00737.35 N ATOM 53269 C2 C 02530 137.241 75.750 93.242 1.00737.35 C ATOM 53270 O2 C 02530 136.482 75.273 92.381 1.00737.35 O ATOM 53271 N3 C 02530 138.273 76.559 92.906 1.00737.35 N ATOM 53272 C4 C 02530 139.068 77.056 93.856 1.00737.35 C ATOM 53273 N4 C 02530 140.070 77.852 93.475 1.00737.35 N ATOM 53274 C5 C 02530 138.870 76.762 95.238 1.00737.35 C ATOM 53275 C6 C 02530 137.849 75.958 95.560 1.00737.35 C ATOM 53276 P U 02531 137.399 70.719 97.560 1.00737.35 P ATOM 53277 O1P U 02531 136.847 69.444 98.082 1.00737.35 O ATOM 53278 O2P U 02531 138.282 71.541 98.427 1.00737.35 O ATOM 53279 O5* U 02531 138.181 70.408 96.208 1.00737.35 O ATOM 53280 C5* U 02531 137.623 69.550 95.215 1.00737.35 C ATOM 53281 C4* U 02531 138.525 69.490 94.005 1.00737.35 C ATOM 53282 O4* U 02531 138.587 70.805 93.394 1.00737.35 O ATOM 53283 C3* U 02531 139.974 69.136 94.291 1.00737.35 C ATOM 53284 O3* U 02531 140.146 67.724 94.352 1.00737.35 O ATOM 53285 C2* U 02531 140.703 69.754 93.105 1.00737.35 C ATOM 53286 O2* U 02531 140.654 68.950 91.942 1.00737.35 O ATOM 53287 C1* U 02531 139.891 71.035 92.884 1.00737.35 C ATOM 53288 N1 U 02531 140.454 72.223 93.548 1.00737.35 N ATOM 53289 C2 U 02531 141.321 73.025 92.818 1.00737.35 C ATOM 53290 O2 U 02531 141.633 72.793 91.660 1.00737.35 O ATOM 53291 N3 U 02531 141.808 74.116 93.494 1.00737.35 N ATOM 53292 C4 U 02531 141.529 74.482 94.795 1.00737.35 C ATOM 53293 O4 U 02531 142.047 75.499 95.262 1.00737.35 O ATOM 53294 C5 U 02531 140.634 73.606 95.481 1.00737.35 C ATOM 53295 C6 U 02531 140.138 72.535 94.855 1.00737.35 C ATOM 53296 P G 02532 140.975 67.069 95.565 1.00737.35 P ATOM 53297 O1P G 02532 141.014 65.603 95.337 1.00737.35 O ATOM 53298 O2P G 02532 140.432 67.601 96.844 1.00737.35 O ATOM 53299 O5* G 02532 142.453 67.638 95.368 1.00737.35 O ATOM 53300 C5* G 02532 143.405 67.587 96.429 1.00737.35 C ATOM 53301 C4* G 02532 144.796 67.836 95.895 1.00737.35 C ATOM 53302 O4* G 02532 145.161 66.759 94.990 1.00737.35 O ATOM 53303 C3* G 02532 144.963 69.096 95.060 1.00737.35 C ATOM 53304 O3* G 02532 145.188 70.250 95.865 1.00737.35 O ATOM 53305 C2* G 02532 146.181 68.758 94.209 1.00737.35 C ATOM 53306 O2* G 02532 147.405 68.928 94.898 1.00737.35 O ATOM 53307 C1* G 02532 145.941 67.274 93.922 1.00737.35 C ATOM 53308 N9 G 02532 145.229 67.043 92.666 1.00737.35 N ATOM 53309 C8 G 02532 143.931 66.609 92.513 1.00737.35 C ATOM 53310 N7 G 02532 143.571 66.504 91.262 1.00737.35 N ATOM 53311 C5 G 02532 144.694 66.891 90.547 1.00737.35 C ATOM 53312 C6 G 02532 144.906 66.981 89.145 1.00737.35 C ATOM 53313 O6 G 02532 144.115 66.729 88.229 1.00737.35 O ATOM 53314 N1 G 02532 146.193 67.417 88.849 1.00737.35 N ATOM 53315 C2 G 02532 147.155 67.727 89.778 1.00737.35 C ATOM 53316 N2 G 02532 148.339 68.130 89.292 1.00737.35 N ATOM 53317 N3 G 02532 146.972 67.647 91.085 1.00737.35 N ATOM 53318 C4 G 02532 145.728 67.225 91.397 1.00737.35 C ATOM 53319 P U 02533 144.813 71.704 95.286 1.00737.35 P ATOM 53320 O1P U 02533 145.642 72.699 96.014 1.00737.35 O ATOM 53321 O2P U 02533 143.334 71.841 95.287 1.00737.35 O ATOM 53322 O5* U 02533 145.319 71.654 93.776 1.00737.35 O ATOM 53323 C5* U 02533 145.060 72.726 92.875 1.00737.35 C ATOM 53324 C4* U 02533 145.917 72.581 91.639 1.00737.35 C ATOM 53325 O4* U 02533 145.628 71.308 90.999 1.00737.35 O ATOM 53326 C3* U 02533 145.677 73.607 90.547 1.00737.35 C ATOM 53327 O3* U 02533 146.404 74.801 90.815 1.00737.35 O ATOM 53328 C2* U 02533 146.192 72.883 89.305 1.00737.35 C ATOM 53329 O2* U 02533 147.599 72.949 89.172 1.00737.35 O ATOM 53330 C1* U 02533 145.765 71.440 89.592 1.00737.35 C ATOM 53331 N1 U 02533 144.492 71.064 88.953 1.00737.35 N ATOM 53332 C2 U 02533 144.548 70.452 87.710 1.00737.35 C ATOM 53333 O2 U 02533 145.596 70.207 87.132 1.00737.35 O ATOM 53334 N3 U 02533 143.328 70.132 87.165 1.00737.35 N ATOM 53335 C4 U 02533 142.084 70.355 87.719 1.00737.35 C ATOM 53336 O4 U 02533 141.077 70.013 87.099 1.00737.35 O ATOM 53337 C5 U 02533 142.109 70.987 89.001 1.00737.35 C ATOM 53338 C6 U 02533 143.280 71.313 89.561 1.00737.35 C ATOM 53339 P U 02534 145.942 76.188 90.143 1.00737.35 P ATOM 53340 O1P U 02534 146.545 77.283 90.946 1.00737.35 O ATOM 53341 O2P U 02534 144.470 76.156 89.944 1.00737.35 O ATOM 53342 O5* U 02534 146.641 76.170 88.710 1.00737.35 O ATOM 53343 C5* U 02534 148.022 76.494 88.568 1.00737.35 C ATOM 53344 C4* U 02534 148.444 76.390 87.119 1.00737.35 C ATOM 53345 O4* U 02534 148.388 75.003 86.692 1.00737.35 O ATOM 53346 C3* U 02534 147.569 77.125 86.118 1.00737.35 C ATOM 53347 O3* U 02534 147.922 78.502 86.038 1.00737.35 O ATOM 53348 C2* U 02534 147.877 76.384 84.820 1.00737.35 C ATOM 53349 O2* U 02534 149.077 76.815 84.208 1.00737.35 O ATOM 53350 C1* U 02534 148.035 74.945 85.317 1.00737.35 C ATOM 53351 N1 U 02534 146.813 74.136 85.175 1.00737.35 N ATOM 53352 C2 U 02534 146.642 73.423 83.994 1.00737.35 C ATOM 53353 O2 U 02534 147.453 73.437 83.082 1.00737.35 O ATOM 53354 N3 U 02534 145.481 72.695 83.923 1.00737.35 N ATOM 53355 C4 U 02534 144.495 72.601 84.882 1.00737.35 C ATOM 53356 O4 U 02534 143.504 71.900 84.669 1.00737.35 O ATOM 53357 C5 U 02534 144.743 73.362 86.068 1.00737.35 C ATOM 53358 C6 U 02534 145.863 74.084 86.172 1.00737.35 C ATOM 53359 P C 02535 146.775 79.625 86.142 1.00737.35 P ATOM 53360 O1P C 02535 147.362 80.902 85.656 1.00737.35 O ATOM 53361 O2P C 02535 146.183 79.560 87.501 1.00737.35 O ATOM 53362 O5* C 02535 145.671 79.154 85.094 1.00737.35 O ATOM 53363 C5* C 02535 145.971 79.062 83.701 1.00737.35 C ATOM 53364 C4* C 02535 144.885 78.300 82.977 1.00737.35 C ATOM 53365 O4* C 02535 144.828 76.940 83.483 1.00737.35 O ATOM 53366 C3* C 02535 143.470 78.822 83.168 1.00737.35 C ATOM 53367 O3* C 02535 143.184 79.898 82.280 1.00737.35 O ATOM 53368 C2* C 02535 142.630 77.591 82.852 1.00737.35 C ATOM 53369 O2* C 02535 142.471 77.364 81.466 1.00737.35 O ATOM 53370 C1* C 02535 143.483 76.478 83.469 1.00737.35 C ATOM 53371 N1 C 02535 143.077 76.139 84.848 1.00737.35 N ATOM 53372 C2 C 02535 142.072 75.177 85.042 1.00737.35 C ATOM 53373 O2 C 02535 141.553 74.633 84.051 1.00737.35 O ATOM 53374 N3 C 02535 141.688 74.869 86.301 1.00737.35 N ATOM 53375 C4 C 02535 142.266 75.472 87.342 1.00737.35 C ATOM 53376 N4 C 02535 141.854 75.137 88.567 1.00737.35 N ATOM 53377 C5 C 02535 143.290 76.449 87.176 1.00737.35 C ATOM 53378 C6 C 02535 143.661 76.749 85.923 1.00737.35 C ATOM 53379 P G 02536 142.220 81.094 82.762 1.00737.35 P ATOM 53380 O1P G 02536 141.932 81.934 81.571 1.00737.35 O ATOM 53381 O2P G 02536 142.818 81.716 83.970 1.00737.35 O ATOM 53382 O5* G 02536 140.875 80.358 83.192 1.00737.35 O ATOM 53383 C5* G 02536 140.115 79.608 82.247 1.00737.35 C ATOM 53384 C4* G 02536 138.941 78.936 82.923 1.00737.35 C ATOM 53385 O4* G 02536 139.424 77.975 83.899 1.00737.35 O ATOM 53386 C3* G 02536 138.026 79.846 83.724 1.00737.35 C ATOM 53387 O3* G 02536 137.082 80.486 82.870 1.00737.35 O ATOM 53388 C2* G 02536 137.362 78.869 84.689 1.00737.35 C ATOM 53389 O2* G 02536 136.281 78.165 84.111 1.00737.35 O ATOM 53390 C1* G 02536 138.511 77.902 84.985 1.00737.35 C ATOM 53391 N9 G 02536 139.231 78.203 86.222 1.00737.35 N ATOM 53392 C8 G 02536 140.351 78.988 86.365 1.00737.35 C ATOM 53393 N7 G 02536 140.767 79.068 87.601 1.00737.35 N ATOM 53394 C5 G 02536 139.870 78.289 88.319 1.00737.35 C ATOM 53395 C6 G 02536 139.810 77.994 89.707 1.00737.35 C ATOM 53396 O6 G 02536 140.566 78.377 90.610 1.00737.35 O ATOM 53397 N1 G 02536 138.738 77.163 90.010 1.00737.35 N ATOM 53398 C2 G 02536 137.836 76.674 89.097 1.00737.35 C ATOM 53399 N2 G 02536 136.869 75.885 89.587 1.00737.35 N ATOM 53400 N3 G 02536 137.878 76.939 87.801 1.00737.35 N ATOM 53401 C4 G 02536 138.915 77.746 87.484 1.00737.35 C ATOM 53402 P C 02537 136.418 81.882 83.315 1.00737.35 P ATOM 53403 O1P C 02537 135.715 82.433 82.129 1.00737.35 O ATOM 53404 O2P C 02537 137.451 82.702 84.003 1.00737.35 O ATOM 53405 O5* C 02537 135.324 81.456 84.391 1.00737.35 O ATOM 53406 C5* C 02537 134.167 80.717 84.005 1.00737.35 C ATOM 53407 C4* C 02537 133.382 80.291 85.224 1.00737.35 C ATOM 53408 O4* C 02537 134.178 79.363 86.009 1.00737.35 O ATOM 53409 C3* C 02537 133.025 81.399 86.200 1.00737.35 C ATOM 53410 O3* C 02537 131.848 82.086 85.792 1.00737.35 O ATOM 53411 C2* C 02537 132.822 80.628 87.499 1.00737.35 C ATOM 53412 O2* C 02537 131.554 80.010 87.589 1.00737.35 O ATOM 53413 C1* C 02537 133.916 79.561 87.390 1.00737.35 C ATOM 53414 N1 C 02537 135.174 79.941 88.064 1.00737.35 N ATOM 53415 C2 C 02537 135.355 79.599 89.415 1.00737.35 C ATOM 53416 O2 C 02537 134.456 78.982 90.010 1.00737.35 O ATOM 53417 N3 C 02537 136.505 79.948 90.035 1.00737.35 N ATOM 53418 C4 C 02537 137.451 80.613 89.367 1.00737.35 C ATOM 53419 N4 C 02537 138.568 80.939 90.021 1.00737.35 N ATOM 53420 C5 C 02537 137.297 80.971 87.996 1.00737.35 C ATOM 53421 C6 C 02537 136.154 80.620 87.390 1.00737.35 C ATOM 53422 P C 02538 131.644 83.628 86.196 1.00737.35 P ATOM 53423 O1P C 02538 130.386 84.108 85.566 1.00737.35 O ATOM 53424 O2P C 02538 132.918 84.341 85.918 1.00737.35 O ATOM 53425 O5* C 02538 131.435 83.588 87.774 1.00737.35 O ATOM 53426 C5* C 02538 130.265 82.999 88.340 1.00737.35 C ATOM 53427 C4* C 02538 130.343 83.017 89.849 1.00737.35 C ATOM 53428 O4* C 02538 131.431 82.166 90.292 1.00737.35 O ATOM 53429 C3* C 02538 130.641 84.362 90.489 1.00737.35 C ATOM 53430 O3* C 02538 129.462 85.151 90.607 1.00737.35 O ATOM 53431 C2* C 02538 131.196 83.953 91.848 1.00737.35 C ATOM 53432 O2* C 02538 130.186 83.632 92.784 1.00737.35 O ATOM 53433 C1* C 02538 131.991 82.694 91.487 1.00737.35 C ATOM 53434 N1 C 02538 133.431 82.944 91.277 1.00737.35 N ATOM 53435 C2 C 02538 134.296 82.912 92.384 1.00737.35 C ATOM 53436 O2 C 02538 133.829 82.664 93.509 1.00737.35 O ATOM 53437 N3 C 02538 135.614 83.147 92.200 1.00737.35 N ATOM 53438 C4 C 02538 136.082 83.410 90.979 1.00737.35 C ATOM 53439 N4 C 02538 137.391 83.640 90.848 1.00737.35 N ATOM 53440 C5 C 02538 135.230 83.449 89.836 1.00737.35 C ATOM 53441 C6 C 02538 133.926 83.212 90.028 1.00737.35 C ATOM 53442 P C 02539 129.584 86.745 90.783 1.00737.35 P ATOM 53443 O1P C 02539 128.218 87.324 90.699 1.00737.35 O ATOM 53444 O2P C 02539 130.640 87.227 89.856 1.00737.35 O ATOM 53445 O5* C 02539 130.115 86.925 92.275 1.00737.35 O ATOM 53446 C5* C 02539 129.296 86.582 93.390 1.00737.35 C ATOM 53447 C4* C 02539 129.973 86.968 94.684 1.00737.35 C ATOM 53448 O4* C 02539 131.164 86.161 94.875 1.00737.35 O ATOM 53449 C3* C 02539 130.477 88.399 94.775 1.00737.35 C ATOM 53450 O3* C 02539 129.426 89.290 95.135 1.00737.35 O ATOM 53451 C2* C 02539 131.543 88.297 95.862 1.00737.35 C ATOM 53452 O2* C 02539 131.007 88.323 97.170 1.00737.35 O ATOM 53453 C1* C 02539 132.142 86.916 95.575 1.00737.35 C ATOM 53454 N1 C 02539 133.383 86.959 94.771 1.00737.35 N ATOM 53455 C2 C 02539 134.611 87.145 95.429 1.00737.35 C ATOM 53456 O2 C 02539 134.625 87.268 96.667 1.00737.35 O ATOM 53457 N3 C 02539 135.750 87.185 94.702 1.00737.35 N ATOM 53458 C4 C 02539 135.699 87.049 93.374 1.00737.35 C ATOM 53459 N4 C 02539 136.851 87.096 92.699 1.00737.35 N ATOM 53460 C5 C 02539 134.469 86.861 92.680 1.00737.35 C ATOM 53461 C6 C 02539 133.345 86.822 93.409 1.00737.35 C ATOM 53462 P A 02540 129.496 90.831 94.681 1.00737.35 P ATOM 53463 O1P A 02540 128.203 91.474 95.028 1.00737.35 O ATOM 53464 O2P A 02540 129.980 90.870 93.275 1.00737.35 O ATOM 53465 O5* A 02540 130.633 91.452 95.609 1.00737.35 O ATOM 53466 C5* A 02540 130.425 91.613 97.011 1.00737.35 C ATOM 53467 C4* A 02540 131.705 92.048 97.689 1.00737.35 C ATOM 53468 O4* A 02540 132.700 90.997 97.564 1.00737.35 O ATOM 53469 C3* A 02540 132.385 93.274 97.102 1.00737.35 C ATOM 53470 O3* A 02540 131.811 94.478 97.603 1.00737.35 O ATOM 53471 C2* A 02540 133.824 93.096 97.566 1.00737.35 C ATOM 53472 O2* A 02540 134.036 93.509 98.900 1.00737.35 O ATOM 53473 C1* A 02540 133.992 91.577 97.460 1.00737.35 C ATOM 53474 N9 A 02540 134.605 91.143 96.202 1.00737.35 N ATOM 53475 C8 A 02540 133.994 90.611 95.092 1.00737.35 C ATOM 53476 N7 A 02540 134.822 90.322 94.118 1.00737.35 N ATOM 53477 C5 A 02540 136.064 90.685 94.619 1.00737.35 C ATOM 53478 C6 A 02540 137.360 90.629 94.072 1.00737.35 C ATOM 53479 N6 A 02540 137.630 90.163 92.850 1.00737.35 N ATOM 53480 N1 A 02540 138.382 91.072 94.834 1.00737.35 N ATOM 53481 C2 A 02540 138.113 91.539 96.061 1.00737.35 C ATOM 53482 N3 A 02540 136.942 91.639 96.685 1.00737.35 N ATOM 53483 C4 A 02540 135.946 91.192 95.900 1.00737.35 C ATOM 53484 P U 02541 131.977 95.845 96.774 1.00737.35 P ATOM 53485 O1P U 02541 131.408 96.952 97.583 1.00737.35 O ATOM 53486 O2P U 02541 131.462 95.602 95.401 1.00737.35 O ATOM 53487 O5* U 02541 133.555 96.047 96.690 1.00737.35 O ATOM 53488 C5* U 02541 134.136 96.948 95.752 1.00737.35 C ATOM 53489 C4* U 02541 135.640 96.805 95.763 1.00737.35 C ATOM 53490 O4* U 02541 135.994 95.424 95.490 1.00737.35 O ATOM 53491 C3* U 02541 136.385 97.600 94.700 1.00737.35 C ATOM 53492 O3* U 02541 136.612 98.939 95.130 1.00737.35 O ATOM 53493 C2* U 02541 137.686 96.817 94.569 1.00737.35 C ATOM 53494 O2* U 02541 138.624 97.117 95.582 1.00737.35 O ATOM 53495 C1* U 02541 137.193 95.376 94.731 1.00737.35 C ATOM 53496 N1 U 02541 136.917 94.699 93.452 1.00737.35 N ATOM 53497 C2 U 02541 137.964 94.029 92.836 1.00737.35 C ATOM 53498 O2 U 02541 139.091 93.973 93.303 1.00737.35 O ATOM 53499 N3 U 02541 137.641 93.423 91.646 1.00737.35 N ATOM 53500 C4 U 02541 136.411 93.414 91.021 1.00737.35 C ATOM 53501 O4 U 02541 136.280 92.821 89.949 1.00737.35 O ATOM 53502 C5 U 02541 135.384 94.126 91.717 1.00737.35 C ATOM 53503 C6 U 02541 135.663 94.727 92.879 1.00737.35 C ATOM 53504 P U 02542 136.806 100.106 94.039 1.00737.35 P ATOM 53505 O1P U 02542 136.973 101.381 94.782 1.00737.35 O ATOM 53506 O2P U 02542 135.728 99.987 93.024 1.00737.35 O ATOM 53507 O5* U 02542 138.190 99.750 93.338 1.00737.35 O ATOM 53508 C5* U 02542 139.410 99.750 94.080 1.00737.35 C ATOM 53509 C4* U 02542 140.565 99.349 93.193 1.00737.35 C ATOM 53510 O4* U 02542 140.365 97.989 92.725 1.00737.35 O ATOM 53511 C3* U 02542 140.732 100.162 91.920 1.00737.35 C ATOM 53512 O3* U 02542 141.469 101.355 92.169 1.00737.35 O ATOM 53513 C2* U 02542 141.497 99.200 91.020 1.00737.35 C ATOM 53514 O2* U 02542 142.885 99.173 91.289 1.00737.35 O ATOM 53515 C1* U 02542 140.870 97.857 91.406 1.00737.35 C ATOM 53516 N1 U 02542 139.770 97.442 90.518 1.00737.35 N ATOM 53517 C2 U 02542 140.091 96.699 89.389 1.00737.35 C ATOM 53518 O2 U 02542 141.234 96.376 89.106 1.00737.35 O ATOM 53519 N3 U 02542 139.020 96.347 88.604 1.00737.35 N ATOM 53520 C4 U 02542 137.693 96.653 88.820 1.00737.35 C ATOM 53521 O4 U 02542 136.845 96.263 88.017 1.00737.35 O ATOM 53522 C5 U 02542 137.442 97.419 90.000 1.00737.35 C ATOM 53523 C6 U 02542 138.459 97.778 90.789 1.00737.35 C ATOM 53524 P A 02543 141.013 102.732 91.478 1.00737.35 P ATOM 53525 O1P A 02543 141.982 103.774 91.903 1.00737.35 O ATOM 53526 O2P A 02543 139.562 102.930 91.737 1.00737.35 O ATOM 53527 O5* A 02543 141.218 102.471 89.921 1.00737.35 O ATOM 53528 C5* A 02543 140.634 103.335 88.947 1.00737.35 C ATOM 53529 C4* A 02543 141.329 103.172 87.615 1.00737.35 C ATOM 53530 O4* A 02543 142.710 103.599 87.743 1.00737.35 O ATOM 53531 C3* A 02543 141.419 101.748 87.086 1.00737.35 C ATOM 53532 O3* A 02543 140.234 101.394 86.378 1.00737.35 O ATOM 53533 C2* A 02543 142.632 101.818 86.165 1.00737.35 C ATOM 53534 O2* A 02543 142.330 102.349 84.890 1.00737.35 O ATOM 53535 C1* A 02543 143.540 102.787 86.929 1.00737.35 C ATOM 53536 N9 A 02543 144.525 102.127 87.787 1.00737.35 N ATOM 53537 C8 A 02543 144.322 101.551 89.019 1.00737.35 C ATOM 53538 N7 A 02543 145.407 101.038 89.547 1.00737.35 N ATOM 53539 C5 A 02543 146.391 101.292 88.603 1.00737.35 C ATOM 53540 C6 A 02543 147.765 101.001 88.568 1.00737.35 C ATOM 53541 N6 A 02543 148.414 100.363 89.546 1.00737.35 N ATOM 53542 N1 A 02543 148.462 101.393 87.479 1.00737.35 N ATOM 53543 C2 A 02543 147.812 102.031 86.500 1.00737.35 C ATOM 53544 N3 A 02543 146.527 102.366 86.416 1.00737.35 N ATOM 53545 C4 A 02543 145.861 101.962 87.514 1.00737.35 C ATOM 53546 P A 02544 139.611 99.921 86.547 1.00737.35 P ATOM 53547 O1P A 02544 138.369 99.876 85.735 1.00737.35 O ATOM 53548 O2P A 02544 139.550 99.598 87.996 1.00737.35 O ATOM 53549 O5* A 02544 140.689 98.962 85.868 1.00737.35 O ATOM 53550 C5* A 02544 140.899 98.974 84.458 1.00737.35 C ATOM 53551 C4* A 02544 142.126 98.165 84.105 1.00737.35 C ATOM 53552 O4* A 02544 143.288 98.775 84.727 1.00737.35 O ATOM 53553 C3* A 02544 142.136 96.730 84.609 1.00737.35 C ATOM 53554 O3* A 02544 141.465 95.859 83.701 1.00737.35 O ATOM 53555 C2* A 02544 143.626 96.419 84.679 1.00737.35 C ATOM 53556 O2* A 02544 144.181 96.063 83.428 1.00737.35 O ATOM 53557 C1* A 02544 144.197 97.765 85.132 1.00737.35 C ATOM 53558 N9 A 02544 144.389 97.868 86.580 1.00737.35 N ATOM 53559 C8 A 02544 143.445 98.125 87.545 1.00737.35 C ATOM 53560 N7 A 02544 143.929 98.160 88.763 1.00737.35 N ATOM 53561 C5 A 02544 145.283 97.908 88.592 1.00737.35 C ATOM 53562 C6 A 02544 146.350 97.814 89.503 1.00737.35 C ATOM 53563 N6 A 02544 146.214 97.969 90.821 1.00737.35 N ATOM 53564 N1 A 02544 147.578 97.551 89.005 1.00737.35 N ATOM 53565 C2 A 02544 147.715 97.398 87.682 1.00737.35 C ATOM 53566 N3 A 02544 146.791 97.465 86.726 1.00737.35 N ATOM 53567 C4 A 02544 145.582 97.726 87.253 1.00737.35 C ATOM 53568 P A 02545 140.233 94.964 84.215 1.00737.35 P ATOM 53569 O1P A 02545 140.138 93.784 83.313 1.00737.35 O ATOM 53570 O2P A 02545 139.055 95.849 84.381 1.00737.35 O ATOM 53571 O5* A 02545 140.686 94.466 85.660 1.00737.35 O ATOM 53572 C5* A 02545 141.429 93.261 85.835 1.00737.35 C ATOM 53573 C4* A 02545 142.823 93.574 86.327 1.00737.35 C ATOM 53574 O4* A 02545 142.746 94.541 87.405 1.00737.35 O ATOM 53575 C3* A 02545 143.601 92.405 86.911 1.00737.35 C ATOM 53576 O3* A 02545 144.253 91.664 85.881 1.00737.35 O ATOM 53577 C2* A 02545 144.599 93.106 87.827 1.00737.35 C ATOM 53578 O2* A 02545 145.731 93.600 87.135 1.00737.35 O ATOM 53579 C1* A 02545 143.769 94.283 88.350 1.00737.35 C ATOM 53580 N9 A 02545 143.143 94.057 89.654 1.00737.35 N ATOM 53581 C8 A 02545 142.029 93.302 89.942 1.00737.35 C ATOM 53582 N7 A 02545 141.696 93.313 91.209 1.00737.35 N ATOM 53583 C5 A 02545 142.657 94.124 91.799 1.00737.35 C ATOM 53584 C6 A 02545 142.857 94.540 93.128 1.00737.35 C ATOM 53585 N6 A 02545 142.067 94.186 94.142 1.00737.35 N ATOM 53586 N1 A 02545 143.912 95.345 93.381 1.00737.35 N ATOM 53587 C2 A 02545 144.700 95.706 92.361 1.00737.35 C ATOM 53588 N3 A 02545 144.612 95.386 91.073 1.00737.35 N ATOM 53589 C4 A 02545 143.558 94.583 90.854 1.00737.35 C ATOM 53590 P G 02546 144.693 90.139 86.151 1.00737.35 P ATOM 53591 O1P G 02546 143.470 89.340 86.418 1.00737.35 O ATOM 53592 O2P G 02546 145.786 90.161 87.156 1.00737.35 O ATOM 53593 O5* G 02546 145.309 89.655 84.763 1.00737.35 O ATOM 53594 C5* G 02546 146.182 90.498 84.012 1.00737.35 C ATOM 53595 C4* G 02546 146.447 89.900 82.649 1.00737.35 C ATOM 53596 O4* G 02546 147.137 90.878 81.824 1.00737.35 O ATOM 53597 C3* G 02546 147.355 88.678 82.620 1.00737.35 C ATOM 53598 O3* G 02546 146.638 87.478 82.888 1.00737.35 O ATOM 53599 C2* G 02546 147.892 88.712 81.194 1.00737.35 C ATOM 53600 O2* G 02546 146.985 88.190 80.245 1.00737.35 O ATOM 53601 C1* G 02546 148.060 90.218 80.973 1.00737.35 C ATOM 53602 N9 G 02546 149.405 90.696 81.289 1.00737.35 N ATOM 53603 C8 G 02546 149.868 91.135 82.509 1.00737.35 C ATOM 53604 N7 G 02546 151.121 91.497 82.481 1.00737.35 N ATOM 53605 C5 G 02546 151.512 91.286 81.163 1.00737.35 C ATOM 53606 C6 G 02546 152.763 91.501 80.530 1.00737.35 C ATOM 53607 O6 G 02546 153.812 91.936 81.024 1.00737.35 O ATOM 53608 N1 G 02546 152.718 91.156 79.184 1.00737.35 N ATOM 53609 C2 G 02546 151.618 90.668 78.528 1.00737.35 C ATOM 53610 N2 G 02546 151.776 90.391 77.225 1.00737.35 N ATOM 53611 N3 G 02546 150.444 90.462 79.106 1.00737.35 N ATOM 53612 C4 G 02546 150.463 90.792 80.415 1.00737.35 C ATOM 53613 P C 02547 147.432 86.168 83.387 1.00737.35 P ATOM 53614 O1P C 02547 146.436 85.098 83.656 1.00737.35 O ATOM 53615 O2P C 02547 148.362 86.589 84.465 1.00737.35 O ATOM 53616 O5* C 02547 148.304 85.738 82.123 1.00737.35 O ATOM 53617 C5* C 02547 147.682 85.253 80.935 1.00737.35 C ATOM 53618 C4* C 02547 148.703 85.068 79.833 1.00737.35 C ATOM 53619 O4* C 02547 149.308 86.348 79.510 1.00737.35 O ATOM 53620 C3* C 02547 149.893 84.175 80.148 1.00737.35 C ATOM 53621 O3* C 02547 149.568 82.796 79.980 1.00737.35 O ATOM 53622 C2* C 02547 150.918 84.644 79.123 1.00737.35 C ATOM 53623 O2* C 02547 150.705 84.098 77.835 1.00737.35 O ATOM 53624 C1* C 02547 150.653 86.152 79.096 1.00737.35 C ATOM 53625 N1 C 02547 151.551 86.914 79.987 1.00737.35 N ATOM 53626 C2 C 02547 152.813 87.313 79.505 1.00737.35 C ATOM 53627 O2 C 02547 153.139 87.023 78.343 1.00737.35 O ATOM 53628 N3 C 02547 153.643 88.004 80.321 1.00737.35 N ATOM 53629 C4 C 02547 153.262 88.298 81.567 1.00737.35 C ATOM 53630 N4 C 02547 154.116 88.979 82.335 1.00737.35 N ATOM 53631 C5 C 02547 151.989 87.912 82.080 1.00737.35 C ATOM 53632 C6 C 02547 151.174 87.228 81.266 1.00737.35 C ATOM 53633 P G 02548 150.458 81.671 80.714 1.00737.35 P ATOM 53634 O1P G 02548 149.778 80.363 80.536 1.00737.35 O ATOM 53635 O2P G 02548 150.768 82.156 82.084 1.00737.35 O ATOM 53636 O5* G 02548 151.816 81.646 79.881 1.00737.35 O ATOM 53637 C5* G 02548 151.828 81.245 78.511 1.00737.35 C ATOM 53638 C4* G 02548 153.124 81.649 77.850 1.00737.35 C ATOM 53639 O4* G 02548 153.283 83.091 77.951 1.00737.35 O ATOM 53640 C3* G 02548 154.404 81.098 78.461 1.00737.35 C ATOM 53641 O3* G 02548 154.686 79.774 78.001 1.00737.35 O ATOM 53642 C2* G 02548 155.438 82.104 77.967 1.00737.35 C ATOM 53643 O2* G 02548 155.832 81.883 76.628 1.00737.35 O ATOM 53644 C1* G 02548 154.661 83.415 78.076 1.00737.35 C ATOM 53645 N9 G 02548 154.872 84.097 79.352 1.00737.35 N ATOM 53646 C8 G 02548 153.965 84.257 80.373 1.00737.35 C ATOM 53647 N7 G 02548 154.451 84.910 81.395 1.00737.35 N ATOM 53648 C5 G 02548 155.759 85.199 81.030 1.00737.35 C ATOM 53649 C6 G 02548 156.779 85.893 81.736 1.00737.35 C ATOM 53650 O6 G 02548 156.725 86.404 82.861 1.00737.35 O ATOM 53651 N1 G 02548 157.955 85.957 80.999 1.00737.35 N ATOM 53652 C2 G 02548 158.134 85.430 79.745 1.00737.35 C ATOM 53653 N2 G 02548 159.348 85.599 79.201 1.00737.35 N ATOM 53654 N3 G 02548 157.192 84.783 79.073 1.00737.35 N ATOM 53655 C4 G 02548 156.036 84.707 79.772 1.00737.35 C ATOM 53656 P G 02549 155.505 78.753 78.944 1.00737.35 P ATOM 53657 O1P G 02549 155.142 77.367 78.554 1.00737.35 O ATOM 53658 O2P G 02549 155.324 79.183 80.354 1.00737.35 O ATOM 53659 O5* G 02549 157.033 78.988 78.552 1.00737.35 O ATOM 53660 C5* G 02549 157.633 80.270 78.714 1.00737.35 C ATOM 53661 C4* G 02549 159.070 80.260 78.252 1.00737.35 C ATOM 53662 O4* G 02549 159.550 81.630 78.248 1.00737.35 O ATOM 53663 C3* G 02549 160.027 79.494 79.152 1.00737.35 C ATOM 53664 O3* G 02549 160.137 78.134 78.742 1.00737.35 O ATOM 53665 C2* G 02549 161.333 80.258 78.967 1.00737.35 C ATOM 53666 O2* G 02549 162.016 79.911 77.778 1.00737.35 O ATOM 53667 C1* G 02549 160.823 81.696 78.869 1.00737.35 C ATOM 53668 N9 G 02549 160.649 82.346 80.165 1.00737.35 N ATOM 53669 C8 G 02549 159.507 82.362 80.933 1.00737.35 C ATOM 53670 N7 G 02549 159.648 83.028 82.047 1.00737.35 N ATOM 53671 C5 G 02549 160.960 83.478 82.015 1.00737.35 C ATOM 53672 C6 G 02549 161.683 84.253 82.954 1.00737.35 C ATOM 53673 O6 G 02549 161.295 84.708 84.035 1.00737.35 O ATOM 53674 N1 G 02549 162.987 84.484 82.531 1.00737.35 N ATOM 53675 C2 G 02549 163.528 84.029 81.354 1.00737.35 C ATOM 53676 N2 G 02549 164.805 84.357 81.125 1.00737.35 N ATOM 53677 N3 G 02549 162.865 83.302 80.468 1.00737.35 N ATOM 53678 C4 G 02549 161.594 83.067 80.860 1.00737.35 C ATOM 53679 P C 02550 160.472 76.995 79.829 1.00737.35 P ATOM 53680 O1P C 02550 160.676 75.723 79.088 1.00737.35 O ATOM 53681 O2P C 02550 159.451 77.059 80.905 1.00737.35 O ATOM 53682 O5* C 02550 161.872 77.440 80.447 1.00737.35 O ATOM 53683 C5* C 02550 163.056 77.475 79.649 1.00737.35 C ATOM 53684 C4* C 02550 164.157 78.207 80.379 1.00737.35 C ATOM 53685 O4* C 02550 163.742 79.580 80.612 1.00737.35 O ATOM 53686 C3* C 02550 164.495 77.669 81.763 1.00737.35 C ATOM 53687 O3* C 02550 165.448 76.613 81.673 1.00737.35 O ATOM 53688 C2* C 02550 165.073 78.895 82.459 1.00737.35 C ATOM 53689 O2* C 02550 166.427 79.135 82.132 1.00737.35 O ATOM 53690 C1* C 02550 164.198 80.012 81.886 1.00737.35 C ATOM 53691 N1 C 02550 163.023 80.337 82.721 1.00737.35 N ATOM 53692 C2 C 02550 163.187 81.201 83.820 1.00737.35 C ATOM 53693 O2 C 02550 164.312 81.670 84.061 1.00737.35 O ATOM 53694 N3 C 02550 162.114 81.499 84.588 1.00737.35 N ATOM 53695 C4 C 02550 160.920 80.978 84.301 1.00737.35 C ATOM 53696 N4 C 02550 159.890 81.300 85.087 1.00737.35 N ATOM 53697 C5 C 02550 160.725 80.102 83.192 1.00737.35 C ATOM 53698 C6 C 02550 161.791 79.812 82.439 1.00737.35 C ATOM 53699 P A 02551 165.415 75.410 82.743 1.00737.35 P ATOM 53700 O1P A 02551 165.407 76.014 84.100 1.00737.35 O ATOM 53701 O2P A 02551 166.480 74.441 82.377 1.00737.35 O ATOM 53702 O5* A 02551 164.003 74.707 82.506 1.00737.35 O ATOM 53703 C5* A 02551 163.559 74.374 81.191 1.00737.35 C ATOM 53704 C4* A 02551 163.393 72.877 81.057 1.00737.35 C ATOM 53705 O4* A 02551 164.687 72.241 81.223 1.00737.35 O ATOM 53706 C3* A 02551 162.505 72.208 82.097 1.00737.35 C ATOM 53707 O3* A 02551 161.136 72.271 81.708 1.00737.35 O ATOM 53708 C2* A 02551 163.026 70.776 82.099 1.00737.35 C ATOM 53709 O2* A 02551 162.489 69.987 81.057 1.00737.35 O ATOM 53710 C1* A 02551 164.525 70.991 81.869 1.00737.35 C ATOM 53711 N9 A 02551 165.321 70.994 83.097 1.00737.35 N ATOM 53712 C8 A 02551 165.367 71.957 84.077 1.00737.35 C ATOM 53713 N7 A 02551 166.186 71.669 85.061 1.00737.35 N ATOM 53714 C5 A 02551 166.714 70.435 84.705 1.00737.35 C ATOM 53715 C6 A 02551 167.644 69.588 85.331 1.00737.35 C ATOM 53716 N6 A 02551 168.236 69.868 86.496 1.00737.35 N ATOM 53717 N1 A 02551 167.956 68.429 84.711 1.00737.35 N ATOM 53718 C2 A 02551 167.364 68.150 83.542 1.00737.35 C ATOM 53719 N3 A 02551 166.475 68.863 82.856 1.00737.35 N ATOM 53720 C4 A 02551 166.188 70.007 83.498 1.00737.35 C ATOM 53721 P C 02552 159.981 72.151 82.819 1.00737.35 P ATOM 53722 O1P C 02552 160.178 73.253 83.794 1.00737.35 O ATOM 53723 O2P C 02552 159.946 70.745 83.301 1.00737.35 O ATOM 53724 O5* C 02552 158.636 72.431 82.013 1.00737.35 O ATOM 53725 C5* C 02552 158.412 73.687 81.375 1.00737.35 C ATOM 53726 C4* C 02552 156.941 74.032 81.395 1.00737.35 C ATOM 53727 O4* C 02552 156.206 73.064 80.600 1.00737.35 O ATOM 53728 C3* C 02552 156.274 73.984 82.759 1.00737.35 C ATOM 53729 O3* C 02552 156.477 75.203 83.467 1.00737.35 O ATOM 53730 C2* C 02552 154.810 73.762 82.399 1.00737.35 C ATOM 53731 O2* C 02552 154.145 74.952 82.022 1.00737.35 O ATOM 53732 C1* C 02552 154.934 72.832 81.189 1.00737.35 C ATOM 53733 N1 C 02552 154.822 71.398 81.526 1.00737.35 N ATOM 53734 C2 C 02552 153.549 70.804 81.562 1.00737.35 C ATOM 53735 O2 C 02552 152.550 71.497 81.308 1.00737.35 O ATOM 53736 N3 C 02552 153.442 69.491 81.873 1.00737.35 N ATOM 53737 C4 C 02552 154.535 68.775 82.140 1.00737.35 C ATOM 53738 N4 C 02552 154.379 67.484 82.440 1.00737.35 N ATOM 53739 C5 C 02552 155.839 69.352 82.111 1.00737.35 C ATOM 53740 C6 C 02552 155.935 70.651 81.804 1.00737.35 C ATOM 53741 P G 02553 156.903 75.168 85.019 1.00737.35 P ATOM 53742 O1P G 02553 157.468 73.829 85.322 1.00737.35 O ATOM 53743 O2P G 02553 155.762 75.682 85.817 1.00737.35 O ATOM 53744 O5* G 02553 158.089 76.228 85.114 1.00737.35 O ATOM 53745 C5* G 02553 159.174 76.204 84.187 1.00737.35 C ATOM 53746 C4* G 02553 160.438 76.710 84.843 1.00737.35 C ATOM 53747 O4* G 02553 160.233 78.078 85.282 1.00737.35 O ATOM 53748 C3* G 02553 160.875 75.970 86.097 1.00737.35 C ATOM 53749 O3* G 02553 161.651 74.823 85.756 1.00737.35 O ATOM 53750 C2* G 02553 161.706 77.021 86.824 1.00737.35 C ATOM 53751 O2* G 02553 163.027 77.123 86.330 1.00737.35 O ATOM 53752 C1* G 02553 160.933 78.301 86.496 1.00737.35 C ATOM 53753 N9 G 02553 159.967 78.689 87.519 1.00737.35 N ATOM 53754 C8 G 02553 158.642 78.325 87.590 1.00737.35 C ATOM 53755 N7 G 02553 158.025 78.839 88.620 1.00737.35 N ATOM 53756 C5 G 02553 158.999 79.582 89.271 1.00737.35 C ATOM 53757 C6 G 02553 158.918 80.366 90.450 1.00737.35 C ATOM 53758 O6 G 02553 157.939 80.565 91.177 1.00737.35 O ATOM 53759 N1 G 02553 160.142 80.951 90.761 1.00737.35 N ATOM 53760 C2 G 02553 161.294 80.805 90.032 1.00737.35 C ATOM 53761 N2 G 02553 162.375 81.449 90.498 1.00737.35 N ATOM 53762 N3 G 02553 161.382 80.079 88.926 1.00737.35 N ATOM 53763 C4 G 02553 160.205 79.501 88.607 1.00737.35 C ATOM 53764 P C 02554 161.642 73.535 86.720 1.00737.35 P ATOM 53765 O1P C 02554 162.548 72.527 86.118 1.00737.35 O ATOM 53766 O2P C 02554 160.230 73.173 87.007 1.00737.35 O ATOM 53767 O5* C 02554 162.306 74.059 88.071 1.00737.35 O ATOM 53768 C5* C 02554 163.646 74.547 88.090 1.00737.35 C ATOM 53769 C4* C 02554 163.942 75.210 89.415 1.00737.35 C ATOM 53770 O4* C 02554 163.065 76.354 89.582 1.00737.35 O ATOM 53771 C3* C 02554 163.688 74.351 90.644 1.00737.35 C ATOM 53772 O3* C 02554 164.827 73.547 90.931 1.00737.35 O ATOM 53773 C2* C 02554 163.447 75.396 91.727 1.00737.35 C ATOM 53774 O2* C 02554 164.643 75.932 92.257 1.00737.35 O ATOM 53775 C1* C 02554 162.697 76.479 90.947 1.00737.35 C ATOM 53776 N1 C 02554 161.226 76.384 91.050 1.00737.35 N ATOM 53777 C2 C 02554 160.570 77.086 92.076 1.00737.35 C ATOM 53778 O2 C 02554 161.241 77.766 92.871 1.00737.35 O ATOM 53779 N3 C 02554 159.224 77.004 92.176 1.00737.35 N ATOM 53780 C4 C 02554 158.534 76.262 91.304 1.00737.35 C ATOM 53781 N4 C 02554 157.206 76.212 91.442 1.00737.35 N ATOM 53782 C5 C 02554 159.172 75.540 90.257 1.00737.35 C ATOM 53783 C6 C 02554 160.505 75.628 90.167 1.00737.35 C ATOM 53784 P G 02555 164.668 71.952 91.059 1.00737.35 P ATOM 53785 O1P G 02555 166.018 71.399 91.337 1.00737.35 O ATOM 53786 O2P G 02555 163.905 71.460 89.884 1.00737.35 O ATOM 53787 O5* G 02555 163.769 71.746 92.358 1.00737.35 O ATOM 53788 C5* G 02555 164.119 72.351 93.602 1.00737.35 C ATOM 53789 C4* G 02555 163.977 71.352 94.728 1.00737.35 C ATOM 53790 O4* G 02555 162.613 70.853 94.747 1.00737.35 O ATOM 53791 C3* G 02555 164.835 70.102 94.597 1.00737.35 C ATOM 53792 O3* G 02555 166.136 70.317 95.144 1.00737.35 O ATOM 53793 C2* G 02555 164.053 69.074 95.408 1.00737.35 C ATOM 53794 O2* G 02555 164.290 69.165 96.800 1.00737.35 O ATOM 53795 C1* G 02555 162.609 69.482 95.104 1.00737.35 C ATOM 53796 N9 G 02555 161.934 68.733 94.042 1.00737.35 N ATOM 53797 C8 G 02555 160.585 68.478 93.966 1.00737.35 C ATOM 53798 N7 G 02555 160.253 67.781 92.915 1.00737.35 N ATOM 53799 C5 G 02555 161.452 67.559 92.253 1.00737.35 C ATOM 53800 C6 G 02555 161.718 66.859 91.047 1.00737.35 C ATOM 53801 O6 G 02555 160.922 66.278 90.300 1.00737.35 O ATOM 53802 N1 G 02555 163.074 66.877 90.735 1.00737.35 N ATOM 53803 C2 G 02555 164.048 67.488 91.483 1.00737.35 C ATOM 53804 N2 G 02555 165.300 67.395 91.012 1.00737.35 N ATOM 53805 N3 G 02555 163.812 68.142 92.608 1.00737.35 N ATOM 53806 C4 G 02555 162.503 68.138 92.934 1.00737.35 C ATOM 53807 P A 02556 167.417 69.646 94.442 1.00737.35 P ATOM 53808 O1P A 02556 167.657 70.370 93.168 1.00737.35 O ATOM 53809 O2P A 02556 167.226 68.173 94.422 1.00737.35 O ATOM 53810 O5* A 02556 168.625 69.989 95.426 1.00737.35 O ATOM 53811 C5* A 02556 168.741 69.352 96.697 1.00737.35 C ATOM 53812 C4* A 02556 170.171 69.403 97.178 1.00737.35 C ATOM 53813 O4* A 02556 171.016 68.717 96.216 1.00737.35 O ATOM 53814 C3* A 02556 170.775 70.795 97.293 1.00737.35 C ATOM 53815 O3* A 02556 170.482 71.367 98.564 1.00737.35 O ATOM 53816 C2* A 02556 172.267 70.517 97.141 1.00737.35 C ATOM 53817 O2* A 02556 172.875 70.071 98.337 1.00737.35 O ATOM 53818 C1* A 02556 172.263 69.384 96.111 1.00737.35 C ATOM 53819 N9 A 02556 172.426 69.844 94.729 1.00737.35 N ATOM 53820 C8 A 02556 171.447 70.216 93.838 1.00737.35 C ATOM 53821 N7 A 02556 171.907 70.581 92.668 1.00737.35 N ATOM 53822 C5 A 02556 173.282 70.443 92.793 1.00737.35 C ATOM 53823 C6 A 02556 174.341 70.671 91.896 1.00737.35 C ATOM 53824 N6 A 02556 174.173 71.106 90.645 1.00737.35 N ATOM 53825 N1 A 02556 175.597 70.434 92.334 1.00737.35 N ATOM 53826 C2 A 02556 175.766 69.997 93.587 1.00737.35 C ATOM 53827 N3 A 02556 174.855 69.744 94.523 1.00737.35 N ATOM 53828 C4 A 02556 173.617 69.989 94.058 1.00737.35 C ATOM 53829 P G 02557 170.318 72.961 98.710 1.00737.35 P ATOM 53830 O1P G 02557 171.317 73.606 97.818 1.00737.35 O ATOM 53831 O2P G 02557 170.308 73.289 100.159 1.00737.35 O ATOM 53832 O5* G 02557 168.868 73.266 98.123 1.00737.35 O ATOM 53833 C5* G 02557 167.741 72.470 98.496 1.00737.35 C ATOM 53834 C4* G 02557 166.847 73.239 99.441 1.00737.35 C ATOM 53835 O4* G 02557 166.479 74.509 98.839 1.00737.35 O ATOM 53836 C3* G 02557 165.517 72.578 99.768 1.00737.35 C ATOM 53837 O3* G 02557 165.661 71.631 100.822 1.00737.35 O ATOM 53838 C2* G 02557 164.661 73.769 100.185 1.00737.35 C ATOM 53839 O2* G 02557 164.888 74.176 101.521 1.00737.35 O ATOM 53840 C1* G 02557 165.155 74.851 99.222 1.00737.35 C ATOM 53841 N9 G 02557 164.338 74.974 98.016 1.00737.35 N ATOM 53842 C8 G 02557 164.661 74.556 96.745 1.00737.35 C ATOM 53843 N7 G 02557 163.726 74.806 95.869 1.00737.35 N ATOM 53844 C5 G 02557 162.724 75.425 96.604 1.00737.35 C ATOM 53845 C6 G 02557 161.461 75.922 96.193 1.00737.35 C ATOM 53846 O6 G 02557 160.960 75.917 95.063 1.00737.35 O ATOM 53847 N1 G 02557 160.755 76.471 97.260 1.00737.35 N ATOM 53848 C2 G 02557 161.205 76.533 98.555 1.00737.35 C ATOM 53849 N2 G 02557 160.374 77.099 99.443 1.00737.35 N ATOM 53850 N3 G 02557 162.382 76.075 98.952 1.00737.35 N ATOM 53851 C4 G 02557 163.085 75.536 97.929 1.00737.35 C ATOM 53852 P C 02558 164.653 70.380 100.913 1.00737.35 P ATOM 53853 O1P C 02558 165.085 69.548 102.064 1.00737.35 O ATOM 53854 O2P C 02558 164.541 69.764 99.566 1.00737.35 O ATOM 53855 O5* C 02558 163.249 71.042 101.273 1.00737.35 O ATOM 53856 C5* C 02558 163.055 71.715 102.517 1.00737.35 C ATOM 53857 C4* C 02558 161.663 72.301 102.588 1.00737.35 C ATOM 53858 O4* C 02558 161.504 73.294 101.541 1.00737.35 O ATOM 53859 C3* C 02558 160.517 71.329 102.356 1.00737.35 C ATOM 53860 O3* C 02558 160.187 70.637 103.558 1.00737.35 O ATOM 53861 C2* C 02558 159.391 72.257 101.907 1.00737.35 C ATOM 53862 O2* C 02558 158.735 72.898 102.982 1.00737.35 O ATOM 53863 C1* C 02558 160.161 73.293 101.082 1.00737.35 C ATOM 53864 N1 C 02558 160.148 73.027 99.627 1.00737.35 N ATOM 53865 C2 C 02558 159.052 73.470 98.867 1.00737.35 C ATOM 53866 O2 C 02558 158.120 74.066 99.435 1.00737.35 O ATOM 53867 N3 C 02558 159.035 73.237 97.534 1.00737.35 N ATOM 53868 C4 C 02558 160.049 72.591 96.958 1.00737.35 C ATOM 53869 N4 C 02558 159.986 72.383 95.639 1.00737.35 N ATOM 53870 C5 C 02558 161.173 72.129 97.703 1.00737.35 C ATOM 53871 C6 C 02558 161.182 72.367 99.021 1.00737.35 C ATOM 53872 P U 02559 159.482 69.193 103.482 1.00737.35 P ATOM 53873 O1P U 02559 159.398 68.670 104.872 1.00737.35 O ATOM 53874 O2P U 02559 160.166 68.387 102.438 1.00737.35 O ATOM 53875 O5* U 02559 158.004 69.507 102.980 1.00737.35 O ATOM 53876 C5* U 02559 157.138 70.354 103.733 1.00737.35 C ATOM 53877 C4* U 02559 155.857 70.609 102.970 1.00737.35 C ATOM 53878 O4* U 02559 156.175 71.260 101.712 1.00737.35 O ATOM 53879 C3* U 02559 155.071 69.369 102.566 1.00737.35 C ATOM 53880 O3* U 02559 154.212 68.950 103.626 1.00737.35 O ATOM 53881 C2* U 02559 154.276 69.867 101.366 1.00737.35 C ATOM 53882 O2* U 02559 153.113 70.586 101.728 1.00737.35 O ATOM 53883 C1* U 02559 155.281 70.812 100.702 1.00737.35 C ATOM 53884 N1 U 02559 156.062 70.184 99.621 1.00737.35 N ATOM 53885 C2 U 02559 155.501 70.157 98.351 1.00737.35 C ATOM 53886 O2 U 02559 154.401 70.626 98.095 1.00737.35 O ATOM 53887 N3 U 02559 156.277 69.561 97.389 1.00737.35 N ATOM 53888 C4 U 02559 157.528 69.001 97.555 1.00737.35 C ATOM 53889 O4 U 02559 158.102 68.506 96.585 1.00737.35 O ATOM 53890 C5 U 02559 158.036 69.066 98.890 1.00737.35 C ATOM 53891 C6 U 02559 157.306 69.640 99.853 1.00737.35 C ATOM 53892 P G 02560 154.081 67.386 103.980 1.00737.35 P ATOM 53893 O1P G 02560 152.995 67.251 104.983 1.00737.35 O ATOM 53894 O2P G 02560 155.436 66.861 104.291 1.00737.35 O ATOM 53895 O5* G 02560 153.588 66.711 102.621 1.00737.35 O ATOM 53896 C5* G 02560 152.452 67.213 101.920 1.00737.35 C ATOM 53897 C4* G 02560 152.368 66.587 100.546 1.00737.35 C ATOM 53898 O4* G 02560 153.596 66.866 99.827 1.00737.35 O ATOM 53899 C3* G 02560 152.235 65.070 100.526 1.00737.35 C ATOM 53900 O3* G 02560 150.859 64.702 100.612 1.00737.35 O ATOM 53901 C2* G 02560 152.838 64.697 99.173 1.00737.35 C ATOM 53902 O2* G 02560 151.918 64.787 98.102 1.00737.35 O ATOM 53903 C1* G 02560 153.929 65.760 99.008 1.00737.35 C ATOM 53904 N9 G 02560 155.290 65.338 99.329 1.00737.35 N ATOM 53905 C8 G 02560 156.412 65.572 98.571 1.00737.35 C ATOM 53906 N7 G 02560 157.500 65.081 99.097 1.00737.35 N ATOM 53907 C5 G 02560 157.073 64.482 100.274 1.00737.35 C ATOM 53908 C6 G 02560 157.809 63.787 101.270 1.00737.35 C ATOM 53909 O6 G 02560 159.024 63.551 101.307 1.00737.35 O ATOM 53910 N1 G 02560 156.987 63.345 102.299 1.00737.35 N ATOM 53911 C2 G 02560 155.630 63.546 102.367 1.00737.35 C ATOM 53912 N2 G 02560 155.010 63.047 103.446 1.00737.35 N ATOM 53913 N3 G 02560 154.932 64.191 101.447 1.00737.35 N ATOM 53914 C4 G 02560 155.711 64.629 100.435 1.00737.35 C ATOM 53915 P G 02561 150.447 63.178 100.917 1.00737.35 P ATOM 53916 O1P G 02561 149.881 63.146 102.290 1.00737.35 O ATOM 53917 O2P G 02561 151.586 62.285 100.576 1.00737.35 O ATOM 53918 O5* G 02561 149.278 62.896 99.869 1.00737.35 O ATOM 53919 C5* G 02561 147.903 62.917 100.260 1.00737.35 C ATOM 53920 C4* G 02561 147.071 63.631 99.217 1.00737.35 C ATOM 53921 O4* G 02561 147.347 65.054 99.257 1.00737.35 O ATOM 53922 C3* G 02561 147.329 63.222 97.773 1.00737.35 C ATOM 53923 O3* G 02561 146.556 62.073 97.432 1.00737.35 O ATOM 53924 C2* G 02561 146.887 64.457 96.997 1.00737.35 C ATOM 53925 O2* G 02561 145.489 64.510 96.789 1.00737.35 O ATOM 53926 C1* G 02561 147.308 65.589 97.943 1.00737.35 C ATOM 53927 N9 G 02561 148.603 66.210 97.661 1.00737.35 N ATOM 53928 C8 G 02561 149.509 66.657 98.595 1.00737.35 C ATOM 53929 N7 G 02561 150.579 67.180 98.064 1.00737.35 N ATOM 53930 C5 G 02561 150.374 67.075 96.697 1.00737.35 C ATOM 53931 C6 G 02561 151.201 67.471 95.615 1.00737.35 C ATOM 53932 O6 G 02561 152.316 68.007 95.653 1.00737.35 O ATOM 53933 N1 G 02561 150.611 67.180 94.389 1.00737.35 N ATOM 53934 C2 G 02561 149.385 66.583 94.223 1.00737.35 C ATOM 53935 N2 G 02561 148.991 66.389 92.954 1.00737.35 N ATOM 53936 N3 G 02561 148.608 66.204 95.224 1.00737.35 N ATOM 53937 C4 G 02561 149.160 66.479 96.427 1.00737.35 C ATOM 53938 P G 02562 147.132 61.005 96.377 1.00737.35 P ATOM 53939 O1P G 02562 146.192 59.855 96.360 1.00737.35 O ATOM 53940 O2P G 02562 148.569 60.773 96.676 1.00737.35 O ATOM 53941 O5* G 02562 147.031 61.751 94.973 1.00737.35 O ATOM 53942 C5* G 02562 145.764 62.108 94.420 1.00737.35 C ATOM 53943 C4* G 02562 145.901 62.396 92.941 1.00737.35 C ATOM 53944 O4* G 02562 146.805 63.516 92.756 1.00737.35 O ATOM 53945 C3* G 02562 146.509 61.273 92.113 1.00737.35 C ATOM 53946 O3* G 02562 145.508 60.343 91.703 1.00737.35 O ATOM 53947 C2* G 02562 147.093 62.029 90.925 1.00737.35 C ATOM 53948 O2* G 02562 146.129 62.355 89.942 1.00737.35 O ATOM 53949 C1* G 02562 147.597 63.306 91.598 1.00737.35 C ATOM 53950 N9 G 02562 148.998 63.237 92.005 1.00737.35 N ATOM 53951 C8 G 02562 149.489 62.902 93.246 1.00737.35 C ATOM 53952 N7 G 02562 150.794 62.928 93.306 1.00737.35 N ATOM 53953 C5 G 02562 151.189 63.302 92.029 1.00737.35 C ATOM 53954 C6 G 02562 152.488 63.495 91.492 1.00737.35 C ATOM 53955 O6 G 02562 153.582 63.373 92.054 1.00737.35 O ATOM 53956 N1 G 02562 152.435 63.870 90.153 1.00737.35 N ATOM 53957 C2 G 02562 151.284 64.038 89.424 1.00737.35 C ATOM 53958 N2 G 02562 151.443 64.403 88.144 1.00737.35 N ATOM 53959 N3 G 02562 150.068 63.862 89.914 1.00737.35 N ATOM 53960 C4 G 02562 150.095 63.497 91.213 1.00737.35 C ATOM 53961 P U 02563 145.813 58.764 91.761 1.00737.35 P ATOM 53962 O1P U 02563 144.675 58.071 91.106 1.00737.35 O ATOM 53963 O2P U 02563 146.180 58.411 93.157 1.00737.35 O ATOM 53964 O5* U 02563 147.103 58.578 90.844 1.00737.35 O ATOM 53965 C5* U 02563 147.082 58.939 89.465 1.00737.35 C ATOM 53966 C4* U 02563 148.491 59.034 88.928 1.00737.35 C ATOM 53967 O4* U 02563 149.215 60.046 89.676 1.00737.35 O ATOM 53968 C3* U 02563 149.343 57.777 89.065 1.00737.35 C ATOM 53969 O3* U 02563 149.119 56.893 87.970 1.00737.35 O ATOM 53970 C2* U 02563 150.756 58.344 89.061 1.00737.35 C ATOM 53971 O2* U 02563 151.226 58.638 87.760 1.00737.35 O ATOM 53972 C1* U 02563 150.566 59.646 89.841 1.00737.35 C ATOM 53973 N1 U 02563 150.852 59.523 91.281 1.00737.35 N ATOM 53974 C2 U 02563 152.172 59.643 91.695 1.00737.35 C ATOM 53975 O2 U 02563 153.098 59.841 90.923 1.00737.35 O ATOM 53976 N3 U 02563 152.368 59.521 93.048 1.00737.35 N ATOM 53977 C4 U 02563 151.407 59.294 94.012 1.00737.35 C ATOM 53978 O4 U 02563 151.745 59.210 95.194 1.00737.35 O ATOM 53979 C5 U 02563 150.072 59.181 93.510 1.00737.35 C ATOM 53980 C6 U 02563 149.846 59.294 92.198 1.00737.35 C ATOM 53981 P U 02564 149.400 55.318 88.143 1.00737.35 P ATOM 53982 O1P U 02564 148.905 54.650 86.913 1.00737.35 O ATOM 53983 O2P U 02564 148.888 54.886 89.467 1.00737.35 O ATOM 53984 O5* U 02564 150.990 55.206 88.154 1.00737.35 O ATOM 53985 C5* U 02564 151.635 53.972 88.462 1.00737.35 C ATOM 53986 C4* U 02564 153.131 54.173 88.592 1.00737.35 C ATOM 53987 O4* U 02564 153.687 54.521 87.299 1.00737.35 O ATOM 53988 C3* U 02564 153.563 55.305 89.511 1.00737.35 C ATOM 53989 O3* U 02564 153.629 54.852 90.860 1.00737.35 O ATOM 53990 C2* U 02564 154.956 55.640 88.981 1.00737.35 C ATOM 53991 O2* U 02564 155.960 54.787 89.490 1.00737.35 O ATOM 53992 C1* U 02564 154.791 55.393 87.477 1.00737.35 C ATOM 53993 N1 U 02564 154.574 56.610 86.675 1.00737.35 N ATOM 53994 C2 U 02564 155.682 57.391 86.372 1.00737.35 C ATOM 53995 O2 U 02564 156.813 57.120 86.745 1.00737.35 O ATOM 53996 N3 U 02564 155.414 58.505 85.615 1.00737.35 N ATOM 53997 C4 U 02564 154.186 58.913 85.139 1.00737.35 C ATOM 53998 O4 U 02564 154.109 59.941 84.466 1.00737.35 O ATOM 53999 C5 U 02564 153.095 58.059 85.493 1.00737.35 C ATOM 54000 C6 U 02564 153.319 56.967 86.231 1.00737.35 C ATOM 54001 P C 02565 152.382 55.084 91.853 1.00737.35 P ATOM 54002 O1P C 02565 151.203 55.506 91.050 1.00737.35 O ATOM 54003 O2P C 02565 152.844 55.936 92.976 1.00737.35 O ATOM 54004 O5* C 02565 152.088 53.626 92.426 1.00737.35 O ATOM 54005 C5* C 02565 152.130 52.487 91.569 1.00737.35 C ATOM 54006 C4* C 02565 153.049 51.430 92.141 1.00737.35 C ATOM 54007 O4* C 02565 154.343 52.030 92.418 1.00737.35 O ATOM 54008 C3* C 02565 152.624 50.826 93.472 1.00737.35 C ATOM 54009 O3* C 02565 151.710 49.752 93.262 1.00737.35 O ATOM 54010 C2* C 02565 153.952 50.342 94.041 1.00737.35 C ATOM 54011 O2* C 02565 154.376 49.111 93.490 1.00737.35 O ATOM 54012 C1* C 02565 154.899 51.456 93.591 1.00737.35 C ATOM 54013 N1 C 02565 155.077 52.519 94.604 1.00737.35 N ATOM 54014 C2 C 02565 156.064 52.356 95.592 1.00737.35 C ATOM 54015 O2 C 02565 156.763 51.330 95.590 1.00737.35 O ATOM 54016 N3 C 02565 156.228 53.324 96.523 1.00737.35 N ATOM 54017 C4 C 02565 155.460 54.415 96.496 1.00737.35 C ATOM 54018 N4 C 02565 155.658 55.343 97.436 1.00737.35 N ATOM 54019 C5 C 02565 154.453 54.606 95.506 1.00737.35 C ATOM 54020 C6 C 02565 154.297 53.644 94.589 1.00737.35 C ATOM 54021 P A 02566 150.748 49.270 94.458 1.00737.35 P ATOM 54022 O1P A 02566 149.798 48.282 93.885 1.00737.35 O ATOM 54023 O2P A 02566 150.223 50.470 95.160 1.00737.35 O ATOM 54024 O5* A 02566 151.726 48.498 95.451 1.00737.35 O ATOM 54025 C5* A 02566 152.476 47.366 95.013 1.00737.35 C ATOM 54026 C4* A 02566 153.159 46.700 96.188 1.00737.35 C ATOM 54027 O4* A 02566 154.074 47.642 96.807 1.00737.35 O ATOM 54028 C3* A 02566 152.237 46.266 97.313 1.00737.35 C ATOM 54029 O3* A 02566 151.697 44.976 97.047 1.00737.35 O ATOM 54030 C2* A 02566 153.177 46.246 98.513 1.00737.35 C ATOM 54031 O2* A 02566 153.954 45.067 98.593 1.00737.35 O ATOM 54032 C1* A 02566 154.089 47.439 98.209 1.00737.35 C ATOM 54033 N9 A 02566 153.674 48.683 98.863 1.00737.35 N ATOM 54034 C8 A 02566 152.870 49.680 98.360 1.00737.35 C ATOM 54035 N7 A 02566 152.682 50.677 99.191 1.00737.35 N ATOM 54036 C5 A 02566 153.408 50.315 100.317 1.00737.35 C ATOM 54037 C6 A 02566 153.614 50.949 101.554 1.00737.35 C ATOM 54038 N6 A 02566 153.087 52.133 101.875 1.00737.35 N ATOM 54039 N1 A 02566 154.389 50.318 102.463 1.00737.35 N ATOM 54040 C2 A 02566 154.920 49.132 102.138 1.00737.35 C ATOM 54041 N3 A 02566 154.801 48.436 101.010 1.00737.35 N ATOM 54042 C4 A 02566 154.023 49.090 100.129 1.00737.35 C ATOM 54043 P G 02567 150.111 44.792 96.877 1.00737.35 P ATOM 54044 O1P G 02567 149.853 43.344 96.674 1.00737.35 O ATOM 54045 O2P G 02567 149.631 45.768 95.862 1.00737.35 O ATOM 54046 O5* G 02567 149.512 45.212 98.292 1.00737.35 O ATOM 54047 C5* G 02567 149.722 44.406 99.449 1.00737.35 C ATOM 54048 C4* G 02567 148.708 44.748 100.515 1.00737.35 C ATOM 54049 O4* G 02567 148.889 46.132 100.919 1.00737.35 O ATOM 54050 C3* G 02567 147.253 44.670 100.083 1.00737.35 C ATOM 54051 O3* G 02567 146.750 43.343 100.190 1.00737.35 O ATOM 54052 C2* G 02567 146.575 45.624 101.059 1.00737.35 C ATOM 54053 O2* G 02567 146.339 45.047 102.330 1.00737.35 O ATOM 54054 C1* G 02567 147.627 46.727 101.178 1.00737.35 C ATOM 54055 N9 G 02567 147.429 47.817 100.223 1.00737.35 N ATOM 54056 C8 G 02567 147.881 47.878 98.926 1.00737.35 C ATOM 54057 N7 G 02567 147.541 48.980 98.316 1.00737.35 N ATOM 54058 C5 G 02567 146.820 49.691 99.265 1.00737.35 C ATOM 54059 C6 G 02567 146.192 50.962 99.181 1.00737.35 C ATOM 54060 O6 G 02567 146.148 51.735 98.217 1.00737.35 O ATOM 54061 N1 G 02567 145.572 51.306 100.377 1.00737.35 N ATOM 54062 C2 G 02567 145.554 50.530 101.509 1.00737.35 C ATOM 54063 N2 G 02567 144.900 51.039 102.563 1.00737.35 N ATOM 54064 N3 G 02567 146.133 49.344 101.602 1.00737.35 N ATOM 54065 C4 G 02567 146.744 48.989 100.450 1.00737.35 C ATOM 54066 P A 02568 145.538 42.866 99.247 1.00737.35 P ATOM 54067 O1P A 02568 145.236 41.456 99.595 1.00737.35 O ATOM 54068 O2P A 02568 145.867 43.222 97.843 1.00737.35 O ATOM 54069 O5* A 02568 144.313 43.771 99.717 1.00737.35 O ATOM 54070 C5* A 02568 143.812 43.685 101.049 1.00737.35 C ATOM 54071 C4* A 02568 142.772 44.754 101.295 1.00737.35 C ATOM 54072 O4* A 02568 143.379 46.066 101.179 1.00737.35 O ATOM 54073 C3* A 02568 141.615 44.802 100.310 1.00737.35 C ATOM 54074 O3* A 02568 140.621 43.838 100.647 1.00737.35 O ATOM 54075 C2* A 02568 141.108 46.230 100.475 1.00737.35 C ATOM 54076 O2* A 02568 140.249 46.394 101.584 1.00737.35 O ATOM 54077 C1* A 02568 142.412 46.996 100.717 1.00737.35 C ATOM 54078 N9 A 02568 142.928 47.667 99.521 1.00737.35 N ATOM 54079 C8 A 02568 143.792 47.181 98.568 1.00737.35 C ATOM 54080 N7 A 02568 144.055 48.035 97.609 1.00737.35 N ATOM 54081 C5 A 02568 143.314 49.158 97.950 1.00737.35 C ATOM 54082 C6 A 02568 143.158 50.416 97.335 1.00737.35 C ATOM 54083 N6 A 02568 143.763 50.766 96.196 1.00737.35 N ATOM 54084 N1 A 02568 142.348 51.313 97.937 1.00737.35 N ATOM 54085 C2 A 02568 141.739 50.963 99.077 1.00737.35 C ATOM 54086 N3 A 02568 141.804 49.816 99.748 1.00737.35 N ATOM 54087 C4 A 02568 142.618 48.947 99.127 1.00737.35 C ATOM 54088 P A 02569 139.547 43.379 99.543 1.00737.35 P ATOM 54089 O1P A 02569 138.772 42.240 100.096 1.00737.35 O ATOM 54090 O2P A 02569 140.261 43.220 98.249 1.00737.35 O ATOM 54091 O5* A 02569 138.573 44.635 99.415 1.00737.35 O ATOM 54092 C5* A 02569 137.706 44.999 100.487 1.00737.35 C ATOM 54093 C4* A 02569 136.895 46.220 100.117 1.00737.35 C ATOM 54094 O4* A 02569 137.776 47.365 99.974 1.00737.35 O ATOM 54095 C3* A 02569 136.161 46.143 98.789 1.00737.35 C ATOM 54096 O3* A 02569 134.919 45.461 98.934 1.00737.35 O ATOM 54097 C2* A 02569 135.976 47.617 98.437 1.00737.35 C ATOM 54098 O2* A 02569 134.882 48.212 99.105 1.00737.35 O ATOM 54099 C1* A 02569 137.286 48.217 98.951 1.00737.35 C ATOM 54100 N9 A 02569 138.318 48.343 97.920 1.00737.35 N ATOM 54101 C8 A 02569 139.295 47.437 97.579 1.00737.35 C ATOM 54102 N7 A 02569 140.078 47.841 96.609 1.00737.35 N ATOM 54103 C5 A 02569 139.585 49.098 96.287 1.00737.35 C ATOM 54104 C6 A 02569 139.984 50.052 95.331 1.00737.35 C ATOM 54105 N6 A 02569 141.009 49.881 94.495 1.00737.35 N ATOM 54106 N1 A 02569 139.282 51.205 95.266 1.00737.35 N ATOM 54107 C2 A 02569 138.253 51.378 96.106 1.00737.35 C ATOM 54108 N3 A 02569 137.784 50.556 97.044 1.00737.35 N ATOM 54109 C4 A 02569 138.503 49.421 97.085 1.00737.35 C ATOM 54110 P C 02570 134.356 44.570 97.720 1.00737.35 P ATOM 54111 O1P C 02570 133.205 43.778 98.225 1.00737.35 O ATOM 54112 O2P C 02570 135.506 43.870 97.091 1.00737.35 O ATOM 54113 O5* C 02570 133.805 45.646 96.678 1.00737.35 O ATOM 54114 C5* C 02570 132.585 46.340 96.921 1.00737.35 C ATOM 54115 C4* C 02570 132.273 47.271 95.770 1.00737.35 C ATOM 54116 O4* C 02570 133.266 48.329 95.719 1.00737.35 O ATOM 54117 C3* C 02570 132.318 46.654 94.382 1.00737.35 C ATOM 54118 O3* C 02570 131.096 45.987 94.078 1.00737.35 O ATOM 54119 C2* C 02570 132.548 47.871 93.497 1.00737.35 C ATOM 54120 O2* C 02570 131.361 48.594 93.236 1.00737.35 O ATOM 54121 C1* C 02570 133.483 48.711 94.370 1.00737.35 C ATOM 54122 N1 C 02570 134.912 48.526 94.044 1.00737.35 N ATOM 54123 C2 C 02570 135.494 49.339 93.056 1.00737.35 C ATOM 54124 O2 C 02570 134.796 50.196 92.488 1.00737.35 O ATOM 54125 N3 C 02570 136.800 49.170 92.748 1.00737.35 N ATOM 54126 C4 C 02570 137.520 48.240 93.379 1.00737.35 C ATOM 54127 N4 C 02570 138.805 48.107 93.037 1.00737.35 N ATOM 54128 C5 C 02570 136.958 47.404 94.385 1.00737.35 C ATOM 54129 C6 C 02570 135.664 47.579 94.685 1.00737.35 C ATOM 54130 P G 02571 131.078 44.822 92.971 1.00737.35 P ATOM 54131 O1P G 02571 129.732 44.193 92.981 1.00737.35 O ATOM 54132 O2P G 02571 132.284 43.975 93.182 1.00737.35 O ATOM 54133 O5* G 02571 131.262 45.601 91.594 1.00737.35 O ATOM 54134 C5* G 02571 130.256 46.493 91.120 1.00737.35 C ATOM 54135 C4* G 02571 130.718 47.195 89.863 1.00737.35 C ATOM 54136 O4* G 02571 131.855 48.041 90.165 1.00737.35 O ATOM 54137 C3* G 02571 131.204 46.292 88.741 1.00737.35 C ATOM 54138 O3* G 02571 130.102 45.812 87.975 1.00737.35 O ATOM 54139 C2* G 02571 132.100 47.230 87.937 1.00737.35 C ATOM 54140 O2* G 02571 131.379 48.061 87.047 1.00737.35 O ATOM 54141 C1* G 02571 132.726 48.085 89.045 1.00737.35 C ATOM 54142 N9 G 02571 134.055 47.648 89.466 1.00737.35 N ATOM 54143 C8 G 02571 134.366 46.846 90.540 1.00737.35 C ATOM 54144 N7 G 02571 135.649 46.640 90.672 1.00737.35 N ATOM 54145 C5 G 02571 136.220 47.344 89.621 1.00737.35 C ATOM 54146 C6 G 02571 137.585 47.496 89.249 1.00737.35 C ATOM 54147 O6 G 02571 138.592 47.025 89.796 1.00737.35 O ATOM 54148 N1 G 02571 137.720 48.291 88.118 1.00737.35 N ATOM 54149 C2 G 02571 136.683 48.869 87.429 1.00737.35 C ATOM 54150 N2 G 02571 137.023 49.599 86.356 1.00737.35 N ATOM 54151 N3 G 02571 135.410 48.740 87.766 1.00737.35 N ATOM 54152 C4 G 02571 135.252 47.969 88.864 1.00737.35 C ATOM 54153 P U 02572 130.178 44.362 87.281 1.00737.35 P ATOM 54154 O1P U 02572 128.797 43.941 86.937 1.00737.35 O ATOM 54155 O2P U 02572 131.017 43.484 88.137 1.00737.35 O ATOM 54156 O5* U 02572 130.972 44.628 85.924 1.00737.35 O ATOM 54157 C5* U 02572 130.428 45.465 84.907 1.00737.35 C ATOM 54158 C4* U 02572 131.511 45.887 83.942 1.00737.35 C ATOM 54159 O4* U 02572 132.506 46.666 84.655 1.00737.35 O ATOM 54160 C3* U 02572 132.288 44.751 83.298 1.00737.35 C ATOM 54161 O3* U 02572 131.612 44.297 82.127 1.00737.35 O ATOM 54162 C2* U 02572 133.624 45.411 82.972 1.00737.35 C ATOM 54163 O2* U 02572 133.594 46.167 81.778 1.00737.35 O ATOM 54164 C1* U 02572 133.801 46.348 84.171 1.00737.35 C ATOM 54165 N1 U 02572 134.586 45.780 85.281 1.00737.35 N ATOM 54166 C2 U 02572 135.960 45.970 85.271 1.00737.35 C ATOM 54167 O2 U 02572 136.547 46.567 84.382 1.00737.35 O ATOM 54168 N3 U 02572 136.624 45.432 86.349 1.00737.35 N ATOM 54169 C4 U 02572 136.070 44.737 87.408 1.00737.35 C ATOM 54170 O4 U 02572 136.798 44.329 88.314 1.00737.35 O ATOM 54171 C5 U 02572 134.653 44.573 87.336 1.00737.35 C ATOM 54172 C6 U 02572 133.977 45.084 86.304 1.00737.35 C ATOM 54173 P C 02573 131.486 42.720 81.835 1.00737.35 P ATOM 54174 O1P C 02573 130.422 42.522 80.816 1.00737.35 O ATOM 54175 O2P C 02573 131.388 42.018 83.141 1.00737.35 O ATOM 54176 O5* C 02573 132.886 42.338 81.178 1.00737.35 O ATOM 54177 C5* C 02573 133.211 42.740 79.847 1.00737.35 C ATOM 54178 C4* C 02573 134.672 42.477 79.565 1.00737.35 C ATOM 54179 O4* C 02573 135.484 43.319 80.427 1.00737.35 O ATOM 54180 C3* C 02573 135.144 41.060 79.857 1.00737.35 C ATOM 54181 O3* C 02573 134.900 40.195 78.755 1.00737.35 O ATOM 54182 C2* C 02573 136.630 41.263 80.122 1.00737.35 C ATOM 54183 O2* C 02573 137.394 41.388 78.938 1.00737.35 O ATOM 54184 C1* C 02573 136.616 42.593 80.879 1.00737.35 C ATOM 54185 N1 C 02573 136.512 42.431 82.343 1.00737.35 N ATOM 54186 C2 C 02573 137.688 42.292 83.100 1.00737.35 C ATOM 54187 O2 C 02573 138.787 42.310 82.524 1.00737.35 O ATOM 54188 N3 C 02573 137.591 42.138 84.440 1.00737.35 N ATOM 54189 C4 C 02573 136.393 42.118 85.028 1.00737.35 C ATOM 54190 N4 C 02573 136.348 41.956 86.351 1.00737.35 N ATOM 54191 C5 C 02573 135.187 42.258 84.284 1.00737.35 C ATOM 54192 C6 C 02573 135.291 42.411 82.960 1.00737.35 C ATOM 54193 P G 02574 134.415 38.685 79.020 1.00737.35 P ATOM 54194 O1P G 02574 134.189 38.054 77.692 1.00737.35 O ATOM 54195 O2P G 02574 133.310 38.714 80.013 1.00737.35 O ATOM 54196 O5* G 02574 135.678 37.990 79.702 1.00737.35 O ATOM 54197 C5* G 02574 136.772 37.523 78.916 1.00737.35 C ATOM 54198 C4* G 02574 137.779 36.804 79.787 1.00737.35 C ATOM 54199 O4* G 02574 138.408 37.749 80.691 1.00737.35 O ATOM 54200 C3* G 02574 137.218 35.733 80.708 1.00737.35 C ATOM 54201 O3* G 02574 137.022 34.496 80.034 1.00737.35 O ATOM 54202 C2* G 02574 138.304 35.635 81.772 1.00737.35 C ATOM 54203 O2* G 02574 139.412 34.856 81.367 1.00737.35 O ATOM 54204 C1* G 02574 138.720 37.101 81.915 1.00737.35 C ATOM 54205 N9 G 02574 138.016 37.781 83.001 1.00737.35 N ATOM 54206 C8 G 02574 136.844 38.494 82.919 1.00737.35 C ATOM 54207 N7 G 02574 136.449 38.966 84.071 1.00737.35 N ATOM 54208 C5 G 02574 137.423 38.542 84.966 1.00737.35 C ATOM 54209 C6 G 02574 137.534 38.745 86.367 1.00737.35 C ATOM 54210 O6 G 02574 136.767 39.356 87.121 1.00737.35 O ATOM 54211 N1 G 02574 138.677 38.147 86.882 1.00737.35 N ATOM 54212 C2 G 02574 139.598 37.440 86.149 1.00737.35 C ATOM 54213 N2 G 02574 140.637 36.938 86.829 1.00737.35 N ATOM 54214 N3 G 02574 139.505 37.240 84.844 1.00737.35 N ATOM 54215 C4 G 02574 138.401 37.815 84.322 1.00737.35 C ATOM 54216 P U 02575 135.758 33.578 80.408 1.00737.35 P ATOM 54217 O1P U 02575 135.953 32.266 79.741 1.00737.35 O ATOM 54218 O2P U 02575 134.521 34.358 80.145 1.00737.35 O ATOM 54219 O5* U 02575 135.893 33.359 81.981 1.00737.35 O ATOM 54220 C5* U 02575 134.789 32.888 82.756 1.00737.35 C ATOM 54221 C4* U 02575 135.272 31.952 83.843 1.00737.35 C ATOM 54222 O4* U 02575 135.920 30.810 83.222 1.00737.35 O ATOM 54223 C3* U 02575 136.321 32.515 84.792 1.00737.35 C ATOM 54224 O3* U 02575 135.711 33.218 85.872 1.00737.35 O ATOM 54225 C2* U 02575 137.026 31.254 85.278 1.00737.35 C ATOM 54226 O2* U 02575 136.325 30.587 86.309 1.00737.35 O ATOM 54227 C1* U 02575 137.023 30.397 84.010 1.00737.35 C ATOM 54228 N1 U 02575 138.252 30.528 83.210 1.00737.35 N ATOM 54229 C2 U 02575 139.330 29.720 83.544 1.00737.35 C ATOM 54230 O2 U 02575 139.299 28.916 84.462 1.00737.35 O ATOM 54231 N3 U 02575 140.444 29.890 82.763 1.00737.35 N ATOM 54232 C4 U 02575 140.597 30.764 81.705 1.00737.35 C ATOM 54233 O4 U 02575 141.669 30.801 81.099 1.00737.35 O ATOM 54234 C5 U 02575 139.445 31.562 81.420 1.00737.35 C ATOM 54235 C6 U 02575 138.341 31.423 82.161 1.00737.35 C ATOM 54236 P G 02576 136.444 34.501 86.510 1.00737.35 P ATOM 54237 O1P G 02576 135.662 34.911 87.702 1.00737.35 O ATOM 54238 O2P G 02576 136.690 35.482 85.422 1.00737.35 O ATOM 54239 O5* G 02576 137.856 33.948 87.008 1.00737.35 O ATOM 54240 C5* G 02576 137.940 32.965 88.039 1.00737.35 C ATOM 54241 C4* G 02576 139.351 32.433 88.145 1.00737.35 C ATOM 54242 O4* G 02576 139.739 31.864 86.864 1.00737.35 O ATOM 54243 C3* G 02576 140.432 33.464 88.445 1.00737.35 C ATOM 54244 O3* G 02576 140.554 33.682 89.849 1.00737.35 O ATOM 54245 C2* G 02576 141.677 32.805 87.864 1.00737.35 C ATOM 54246 O2* G 02576 142.236 31.825 88.717 1.00737.35 O ATOM 54247 C1* G 02576 141.108 32.136 86.610 1.00737.35 C ATOM 54248 N9 G 02576 141.194 32.975 85.416 1.00737.35 N ATOM 54249 C8 G 02576 140.370 34.022 85.076 1.00737.35 C ATOM 54250 N7 G 02576 140.699 34.587 83.946 1.00737.35 N ATOM 54251 C5 G 02576 141.807 33.871 83.513 1.00737.35 C ATOM 54252 C6 G 02576 142.598 34.025 82.345 1.00737.35 C ATOM 54253 O6 G 02576 142.475 34.849 81.431 1.00737.35 O ATOM 54254 N1 G 02576 143.624 33.085 82.299 1.00737.35 N ATOM 54255 C2 G 02576 143.861 32.125 83.249 1.00737.35 C ATOM 54256 N2 G 02576 144.903 31.313 83.021 1.00737.35 N ATOM 54257 N3 G 02576 143.129 31.972 84.341 1.00737.35 N ATOM 54258 C4 G 02576 142.127 32.871 84.408 1.00737.35 C ATOM 54259 P A 02577 141.221 35.042 90.393 1.00737.35 P ATOM 54260 O1P A 02577 141.076 35.040 91.871 1.00737.35 O ATOM 54261 O2P A 02577 140.683 36.182 89.608 1.00737.35 O ATOM 54262 O5* A 02577 142.770 34.885 90.044 1.00737.35 O ATOM 54263 C5* A 02577 143.575 33.907 90.702 1.00737.35 C ATOM 54264 C4* A 02577 144.941 33.827 90.057 1.00737.35 C ATOM 54265 O4* A 02577 144.787 33.435 88.667 1.00737.35 O ATOM 54266 C3* A 02577 145.730 35.126 89.997 1.00737.35 C ATOM 54267 O3* A 02577 146.444 35.361 91.209 1.00737.35 O ATOM 54268 C2* A 02577 146.668 34.881 88.819 1.00737.35 C ATOM 54269 O2* A 02577 147.797 34.104 89.158 1.00737.35 O ATOM 54270 C1* A 02577 145.758 34.098 87.870 1.00737.35 C ATOM 54271 N9 A 02577 145.062 34.949 86.904 1.00737.35 N ATOM 54272 C8 A 02577 143.857 35.592 87.057 1.00737.35 C ATOM 54273 N7 A 02577 143.490 36.289 86.009 1.00737.35 N ATOM 54274 C5 A 02577 144.522 36.093 85.102 1.00737.35 C ATOM 54275 C6 A 02577 144.734 36.565 83.795 1.00737.35 C ATOM 54276 N6 A 02577 143.884 37.366 83.150 1.00737.35 N ATOM 54277 N1 A 02577 145.866 36.180 83.165 1.00737.35 N ATOM 54278 C2 A 02577 146.718 35.377 83.814 1.00737.35 C ATOM 54279 N3 A 02577 146.633 34.869 85.039 1.00737.35 N ATOM 54280 C4 A 02577 145.496 35.267 85.638 1.00737.35 C ATOM 54281 P G 02578 147.049 36.821 91.511 1.00737.35 P ATOM 54282 O1P G 02578 148.248 37.009 90.652 1.00737.35 O ATOM 54283 O2P G 02578 147.173 36.955 92.985 1.00737.35 O ATOM 54284 O5* G 02578 145.907 37.816 91.016 1.00737.35 O ATOM 54285 C5* G 02578 146.210 39.146 90.601 1.00737.35 C ATOM 54286 C4* G 02578 146.110 39.251 89.096 1.00737.35 C ATOM 54287 O4* G 02578 144.873 38.632 88.653 1.00737.35 O ATOM 54288 C3* G 02578 146.058 40.663 88.528 1.00737.35 C ATOM 54289 O3* G 02578 147.364 41.207 88.358 1.00737.35 O ATOM 54290 C2* G 02578 145.357 40.443 87.191 1.00737.35 C ATOM 54291 O2* G 02578 146.224 39.969 86.181 1.00737.35 O ATOM 54292 C1* G 02578 144.343 39.356 87.556 1.00737.35 C ATOM 54293 N9 G 02578 143.037 39.883 87.940 1.00737.35 N ATOM 54294 C8 G 02578 142.567 40.096 89.216 1.00737.35 C ATOM 54295 N7 G 02578 141.357 40.582 89.240 1.00737.35 N ATOM 54296 C5 G 02578 141.004 40.698 87.903 1.00737.35 C ATOM 54297 C6 G 02578 139.809 41.169 87.308 1.00737.35 C ATOM 54298 O6 G 02578 138.784 41.589 87.861 1.00737.35 O ATOM 54299 N1 G 02578 139.874 41.117 85.918 1.00737.35 N ATOM 54300 C2 G 02578 140.952 40.674 85.194 1.00737.35 C ATOM 54301 N2 G 02578 140.826 40.705 83.859 1.00737.35 N ATOM 54302 N3 G 02578 142.075 40.233 85.738 1.00737.35 N ATOM 54303 C4 G 02578 142.031 40.272 87.086 1.00737.35 C ATOM 54304 P A 02579 147.563 42.802 88.291 1.00737.35 P ATOM 54305 O1P A 02579 149.015 43.081 88.145 1.00737.35 O ATOM 54306 O2P A 02579 146.815 43.398 89.427 1.00737.35 O ATOM 54307 O5* A 02579 146.831 43.230 86.940 1.00737.35 O ATOM 54308 C5* A 02579 147.330 42.811 85.670 1.00737.35 C ATOM 54309 C4* A 02579 146.329 43.120 84.579 1.00737.35 C ATOM 54310 O4* A 02579 145.090 42.415 84.853 1.00737.35 O ATOM 54311 C3* A 02579 145.909 44.576 84.450 1.00737.35 C ATOM 54312 O3* A 02579 146.833 45.317 83.658 1.00737.35 O ATOM 54313 C2* A 02579 144.555 44.458 83.763 1.00737.35 C ATOM 54314 O2* A 02579 144.655 44.253 82.366 1.00737.35 O ATOM 54315 C1* A 02579 143.986 43.206 84.433 1.00737.35 C ATOM 54316 N9 A 02579 143.157 43.511 85.601 1.00737.35 N ATOM 54317 C8 A 02579 143.464 43.349 86.931 1.00737.35 C ATOM 54318 N7 A 02579 142.508 43.721 87.744 1.00737.35 N ATOM 54319 C5 A 02579 141.501 44.160 86.896 1.00737.35 C ATOM 54320 C6 A 02579 140.219 44.682 87.140 1.00737.35 C ATOM 54321 N6 A 02579 139.713 44.856 88.362 1.00737.35 N ATOM 54322 N1 A 02579 139.466 45.024 86.072 1.00737.35 N ATOM 54323 C2 A 02579 139.975 44.848 84.846 1.00737.35 C ATOM 54324 N3 A 02579 141.161 44.365 84.488 1.00737.35 N ATOM 54325 C4 A 02579 141.885 44.035 85.573 1.00737.35 C ATOM 54326 P C 02580 146.961 46.909 83.862 1.00737.35 P ATOM 54327 O1P C 02580 147.881 47.434 82.819 1.00737.35 O ATOM 54328 O2P C 02580 147.263 47.151 85.297 1.00737.35 O ATOM 54329 O5* C 02580 145.494 47.460 83.568 1.00737.35 O ATOM 54330 C5* C 02580 144.947 47.433 82.250 1.00737.35 C ATOM 54331 C4* C 02580 143.671 48.243 82.190 1.00737.35 C ATOM 54332 O4* C 02580 142.657 47.613 83.010 1.00737.35 O ATOM 54333 C3* C 02580 143.765 49.663 82.726 1.00737.35 C ATOM 54334 O3* C 02580 144.228 50.539 81.704 1.00737.35 O ATOM 54335 C2* C 02580 142.315 49.974 83.094 1.00737.35 C ATOM 54336 O2* C 02580 141.547 50.419 81.995 1.00737.35 O ATOM 54337 C1* C 02580 141.801 48.604 83.552 1.00737.35 C ATOM 54338 N1 C 02580 141.719 48.421 85.015 1.00737.35 N ATOM 54339 C2 C 02580 140.547 48.822 85.687 1.00737.35 C ATOM 54340 O2 C 02580 139.621 49.337 85.035 1.00737.35 O ATOM 54341 N3 C 02580 140.457 48.638 87.023 1.00737.35 N ATOM 54342 C4 C 02580 141.470 48.084 87.691 1.00737.35 C ATOM 54343 N4 C 02580 141.328 47.910 89.007 1.00737.35 N ATOM 54344 C5 C 02580 142.674 47.680 87.041 1.00737.35 C ATOM 54345 C6 C 02580 142.755 47.866 85.716 1.00737.35 C ATOM 54346 P A 02581 145.774 50.986 81.660 1.00737.35 P ATOM 54347 O1P A 02581 146.072 51.439 80.277 1.00737.35 O ATOM 54348 O2P A 02581 146.593 49.902 82.265 1.00737.35 O ATOM 54349 O5* A 02581 145.857 52.248 82.624 1.00737.35 O ATOM 54350 C5* A 02581 147.025 53.067 82.646 1.00737.35 C ATOM 54351 C4* A 02581 146.823 54.257 83.556 1.00737.35 C ATOM 54352 O4* A 02581 148.038 55.052 83.552 1.00737.35 O ATOM 54353 C3* A 02581 145.731 55.225 83.128 1.00737.35 C ATOM 54354 O3* A 02581 144.466 54.818 83.642 1.00737.35 O ATOM 54355 C2* A 02581 146.197 56.535 83.754 1.00737.35 C ATOM 54356 O2* A 02581 145.881 56.638 85.128 1.00737.35 O ATOM 54357 C1* A 02581 147.713 56.431 83.576 1.00737.35 C ATOM 54358 N9 A 02581 148.199 57.039 82.335 1.00737.35 N ATOM 54359 C8 A 02581 148.152 56.517 81.064 1.00737.35 C ATOM 54360 N7 A 02581 148.672 57.301 80.152 1.00737.35 N ATOM 54361 C5 A 02581 149.092 58.414 80.869 1.00737.35 C ATOM 54362 C6 A 02581 149.726 59.608 80.476 1.00737.35 C ATOM 54363 N6 A 02581 150.062 59.885 79.216 1.00737.35 N ATOM 54364 N1 A 02581 150.005 60.515 81.439 1.00737.35 N ATOM 54365 C2 A 02581 149.670 60.230 82.702 1.00737.35 C ATOM 54366 N3 A 02581 149.070 59.147 83.194 1.00737.35 N ATOM 54367 C4 A 02581 148.805 58.267 82.214 1.00737.35 C ATOM 54368 P G 02582 143.122 55.181 82.839 1.00737.35 P ATOM 54369 O1P G 02582 142.985 54.233 81.704 1.00737.35 O ATOM 54370 O2P G 02582 143.137 56.644 82.573 1.00737.35 O ATOM 54371 O5* G 02582 141.957 54.883 83.884 1.00737.35 O ATOM 54372 C5* G 02582 142.003 55.421 85.203 1.00737.35 C ATOM 54373 C4* G 02582 140.607 55.556 85.763 1.00737.35 C ATOM 54374 O4* G 02582 139.961 54.254 85.774 1.00737.35 O ATOM 54375 C3* G 02582 140.531 56.022 87.207 1.00737.35 C ATOM 54376 O3* G 02582 140.604 57.443 87.293 1.00737.35 O ATOM 54377 C2* G 02582 139.172 55.490 87.646 1.00737.35 C ATOM 54378 O2* G 02582 138.095 56.303 87.225 1.00737.35 O ATOM 54379 C1* G 02582 139.126 54.144 86.918 1.00737.35 C ATOM 54380 N9 G 02582 139.601 53.031 87.735 1.00737.35 N ATOM 54381 C8 G 02582 140.862 52.483 87.746 1.00737.35 C ATOM 54382 N7 G 02582 140.986 51.496 88.591 1.00737.35 N ATOM 54383 C5 G 02582 139.731 51.381 89.174 1.00737.35 C ATOM 54384 C6 G 02582 139.257 50.486 90.166 1.00737.35 C ATOM 54385 O6 G 02582 139.872 49.585 90.748 1.00737.35 O ATOM 54386 N1 G 02582 137.918 50.717 90.467 1.00737.35 N ATOM 54387 C2 G 02582 137.135 51.685 89.890 1.00737.35 C ATOM 54388 N2 G 02582 135.865 51.751 90.316 1.00737.35 N ATOM 54389 N3 G 02582 137.564 52.527 88.964 1.00737.35 N ATOM 54390 C4 G 02582 138.863 52.319 88.655 1.00737.35 C ATOM 54391 P U 02583 141.229 58.135 88.602 1.00737.35 P ATOM 54392 O1P U 02583 141.293 59.599 88.364 1.00737.35 O ATOM 54393 O2P U 02583 142.471 57.396 88.954 1.00737.35 O ATOM 54394 O5* U 02583 140.150 57.854 89.741 1.00737.35 O ATOM 54395 C5* U 02583 138.880 58.505 89.723 1.00737.35 C ATOM 54396 C4* U 02583 138.030 58.035 90.881 1.00737.35 C ATOM 54397 O4* U 02583 137.744 56.619 90.729 1.00737.35 O ATOM 54398 C3* U 02583 138.662 58.139 92.258 1.00737.35 C ATOM 54399 O3* U 02583 138.524 59.451 92.792 1.00737.35 O ATOM 54400 C2* U 02583 137.868 57.109 93.054 1.00737.35 C ATOM 54401 O2* U 02583 136.613 57.592 93.490 1.00737.35 O ATOM 54402 C1* U 02583 137.666 56.010 92.008 1.00737.35 C ATOM 54403 N1 U 02583 138.675 54.937 92.086 1.00737.35 N ATOM 54404 C2 U 02583 138.423 53.875 92.945 1.00737.35 C ATOM 54405 O2 U 02583 137.411 53.789 93.624 1.00737.35 O ATOM 54406 N3 U 02583 139.402 52.912 92.977 1.00737.35 N ATOM 54407 C4 U 02583 140.581 52.901 92.260 1.00737.35 C ATOM 54408 O4 U 02583 141.364 51.960 92.402 1.00737.35 O ATOM 54409 C5 U 02583 140.768 54.025 91.396 1.00737.35 C ATOM 54410 C6 U 02583 139.833 54.981 91.340 1.00737.35 C ATOM 54411 P U 02584 139.582 59.986 93.879 1.00737.35 P ATOM 54412 O1P U 02584 139.249 61.401 94.195 1.00737.35 O ATOM 54413 O2P U 02584 140.943 59.648 93.388 1.00737.35 O ATOM 54414 O5* U 02584 139.290 59.100 95.170 1.00737.35 O ATOM 54415 C5* U 02584 138.064 59.235 95.886 1.00737.35 C ATOM 54416 C4* U 02584 138.013 58.256 97.038 1.00737.35 C ATOM 54417 O4* U 02584 137.995 56.900 96.525 1.00737.35 O ATOM 54418 C3* U 02584 139.200 58.274 97.986 1.00737.35 C ATOM 54419 O3* U 02584 139.072 59.317 98.949 1.00737.35 O ATOM 54420 C2* U 02584 139.122 56.891 98.623 1.00737.35 C ATOM 54421 O2* U 02584 138.182 56.817 99.677 1.00737.35 O ATOM 54422 C1* U 02584 138.650 56.036 97.443 1.00737.35 C ATOM 54423 N1 U 02584 139.741 55.331 96.749 1.00737.35 N ATOM 54424 C2 U 02584 140.107 54.079 97.226 1.00737.35 C ATOM 54425 O2 U 02584 139.566 53.545 98.184 1.00737.35 O ATOM 54426 N3 U 02584 141.129 53.474 96.542 1.00737.35 N ATOM 54427 C4 U 02584 141.813 53.972 95.452 1.00737.35 C ATOM 54428 O4 U 02584 142.716 53.302 94.947 1.00737.35 O ATOM 54429 C5 U 02584 141.380 55.263 95.016 1.00737.35 C ATOM 54430 C6 U 02584 140.383 55.885 95.660 1.00737.35 C ATOM 54431 P C 02585 140.392 59.958 99.610 1.00737.35 P ATOM 54432 O1P C 02585 139.998 61.220 100.291 1.00737.35 O ATOM 54433 O2P C 02585 141.455 59.989 98.572 1.00737.35 O ATOM 54434 O5* C 02585 140.820 58.897 100.719 1.00737.35 O ATOM 54435 C5* C 02585 140.141 58.830 101.972 1.00737.35 C ATOM 54436 C4* C 02585 140.818 57.838 102.888 1.00737.35 C ATOM 54437 O4* C 02585 140.663 56.498 102.355 1.00737.35 O ATOM 54438 C3* C 02585 142.320 58.006 103.051 1.00737.35 C ATOM 54439 O3* C 02585 142.619 58.995 104.033 1.00737.35 O ATOM 54440 C2* C 02585 142.757 56.611 103.484 1.00737.35 C ATOM 54441 O2* C 02585 142.552 56.370 104.863 1.00737.35 O ATOM 54442 C1* C 02585 141.817 55.727 102.657 1.00737.35 C ATOM 54443 N1 C 02585 142.411 55.246 101.394 1.00737.35 N ATOM 54444 C2 C 02585 143.146 54.046 101.402 1.00737.35 C ATOM 54445 O2 C 02585 143.273 53.420 102.468 1.00737.35 O ATOM 54446 N3 C 02585 143.694 53.603 100.248 1.00737.35 N ATOM 54447 C4 C 02585 143.537 54.300 99.120 1.00737.35 C ATOM 54448 N4 C 02585 144.098 53.822 98.008 1.00737.35 N ATOM 54449 C5 C 02585 142.798 55.518 99.082 1.00737.35 C ATOM 54450 C6 C 02585 142.259 55.949 100.230 1.00737.35 C ATOM 54451 P G 02586 143.878 59.975 103.823 1.00737.35 P ATOM 54452 O1P G 02586 143.820 61.027 104.868 1.00737.35 O ATOM 54453 O2P G 02586 143.917 60.365 102.390 1.00737.35 O ATOM 54454 O5* G 02586 145.141 59.045 104.111 1.00737.35 O ATOM 54455 C5* G 02586 145.454 58.628 105.438 1.00737.35 C ATOM 54456 C4* G 02586 146.572 57.610 105.420 1.00737.35 C ATOM 54457 O4* G 02586 146.134 56.428 104.700 1.00737.35 O ATOM 54458 C3* G 02586 147.848 58.026 104.706 1.00737.35 C ATOM 54459 O3* G 02586 148.695 58.795 105.554 1.00737.35 O ATOM 54460 C2* G 02586 148.472 56.679 104.360 1.00737.35 C ATOM 54461 O2* G 02586 149.150 56.091 105.452 1.00737.35 O ATOM 54462 C1* G 02586 147.233 55.852 104.012 1.00737.35 C ATOM 54463 N9 G 02586 146.934 55.835 102.582 1.00737.35 N ATOM 54464 C8 G 02586 146.100 56.683 101.893 1.00737.35 C ATOM 54465 N7 G 02586 146.039 56.419 100.618 1.00737.35 N ATOM 54466 C5 G 02586 146.885 55.330 100.451 1.00737.35 C ATOM 54467 C6 G 02586 147.226 54.599 99.281 1.00737.35 C ATOM 54468 O6 G 02586 146.836 54.774 98.121 1.00737.35 O ATOM 54469 N1 G 02586 148.119 53.570 99.565 1.00737.35 N ATOM 54470 C2 G 02586 148.623 53.281 100.808 1.00737.35 C ATOM 54471 N2 G 02586 149.474 52.247 100.874 1.00737.35 N ATOM 54472 N3 G 02586 148.311 53.953 101.905 1.00737.35 N ATOM 54473 C4 G 02586 147.445 54.956 101.654 1.00737.35 C ATOM 54474 P G 02587 149.731 59.848 104.913 1.00737.35 P ATOM 54475 O1P G 02587 150.460 60.492 106.036 1.00737.35 O ATOM 54476 O2P G 02587 148.999 60.691 103.935 1.00737.35 O ATOM 54477 O5* G 02587 150.762 58.936 104.109 1.00737.35 O ATOM 54478 C5* G 02587 151.589 57.990 104.784 1.00737.35 C ATOM 54479 C4* G 02587 152.240 57.053 103.791 1.00737.35 C ATOM 54480 O4* G 02587 151.204 56.349 103.054 1.00737.35 O ATOM 54481 C3* G 02587 153.090 57.706 102.713 1.00737.35 C ATOM 54482 O3* G 02587 154.417 57.934 103.182 1.00737.35 O ATOM 54483 C2* G 02587 153.060 56.663 101.601 1.00737.35 C ATOM 54484 O2* G 02587 153.974 55.603 101.805 1.00737.35 O ATOM 54485 C1* G 02587 151.627 56.139 101.717 1.00737.35 C ATOM 54486 N9 G 02587 150.687 56.808 100.819 1.00737.35 N ATOM 54487 C8 G 02587 149.897 57.896 101.102 1.00737.35 C ATOM 54488 N7 G 02587 149.158 58.269 100.092 1.00737.35 N ATOM 54489 C5 G 02587 149.479 57.372 99.081 1.00737.35 C ATOM 54490 C6 G 02587 148.995 57.275 97.750 1.00737.35 C ATOM 54491 O6 G 02587 148.159 57.984 97.181 1.00737.35 O ATOM 54492 N1 G 02587 149.591 56.222 97.066 1.00737.35 N ATOM 54493 C2 G 02587 150.529 55.367 97.592 1.00737.35 C ATOM 54494 N2 G 02587 150.985 54.412 96.770 1.00737.35 N ATOM 54495 N3 G 02587 150.988 55.446 98.830 1.00737.35 N ATOM 54496 C4 G 02587 150.422 56.464 99.514 1.00737.35 C ATOM 54497 P U 02588 155.311 59.092 102.516 1.00737.35 P ATOM 54498 O1P U 02588 154.654 60.387 102.821 1.00737.35 O ATOM 54499 O2P U 02588 155.580 58.722 101.103 1.00737.35 O ATOM 54500 O5* U 02588 156.689 59.027 103.317 1.00737.35 O ATOM 54501 C5* U 02588 157.397 57.797 103.457 1.00737.35 C ATOM 54502 C4* U 02588 158.424 57.904 104.564 1.00737.35 C ATOM 54503 O4* U 02588 158.961 56.582 104.842 1.00737.35 O ATOM 54504 C3* U 02588 159.649 58.753 104.263 1.00737.35 C ATOM 54505 O3* U 02588 159.402 60.138 104.497 1.00737.35 O ATOM 54506 C2* U 02588 160.678 58.179 105.232 1.00737.35 C ATOM 54507 O2* U 02588 160.536 58.665 106.551 1.00737.35 O ATOM 54508 C1* U 02588 160.335 56.688 105.185 1.00737.35 C ATOM 54509 N1 U 02588 161.129 55.938 104.198 1.00737.35 N ATOM 54510 C2 U 02588 162.382 55.482 104.587 1.00737.35 C ATOM 54511 O2 U 02588 162.845 55.671 105.701 1.00737.35 O ATOM 54512 N3 U 02588 163.074 54.795 103.619 1.00737.35 N ATOM 54513 C4 U 02588 162.659 54.521 102.333 1.00737.35 C ATOM 54514 O4 U 02588 163.404 53.898 101.576 1.00737.35 O ATOM 54515 C5 U 02588 161.357 55.019 102.007 1.00737.35 C ATOM 54516 C6 U 02588 160.656 55.693 102.926 1.00737.35 C ATOM 54517 P C 02589 160.499 61.234 104.062 1.00737.35 P ATOM 54518 O1P C 02589 161.557 61.232 105.105 1.00737.35 O ATOM 54519 O2P C 02589 159.786 62.498 103.750 1.00737.35 O ATOM 54520 O5* C 02589 161.122 60.670 102.704 1.00737.35 O ATOM 54521 C5* C 02589 162.284 59.841 102.721 1.00737.35 C ATOM 54522 C4* C 02589 163.014 59.920 101.400 1.00737.35 C ATOM 54523 O4* C 02589 162.202 59.332 100.352 1.00737.35 O ATOM 54524 C3* C 02589 163.327 61.319 100.890 1.00737.35 C ATOM 54525 O3* C 02589 164.517 61.823 101.486 1.00737.35 O ATOM 54526 C2* C 02589 163.502 61.085 99.393 1.00737.35 C ATOM 54527 O2* C 02589 164.785 60.602 99.052 1.00737.35 O ATOM 54528 C1* C 02589 162.451 60.002 99.124 1.00737.35 C ATOM 54529 N1 C 02589 161.174 60.525 98.599 1.00737.35 N ATOM 54530 C2 C 02589 161.002 60.631 97.206 1.00737.35 C ATOM 54531 O2 C 02589 161.929 60.283 96.452 1.00737.35 O ATOM 54532 N3 C 02589 159.834 61.112 96.721 1.00737.35 N ATOM 54533 C4 C 02589 158.862 61.478 97.561 1.00737.35 C ATOM 54534 N4 C 02589 157.727 61.941 97.036 1.00737.35 N ATOM 54535 C5 C 02589 159.010 61.379 98.974 1.00737.35 C ATOM 54536 C6 C 02589 160.170 60.904 99.446 1.00737.35 C ATOM 54537 P U 02590 164.685 63.405 101.717 1.00737.35 P ATOM 54538 O1P U 02590 163.762 63.796 102.815 1.00737.35 O ATOM 54539 O2P U 02590 164.584 64.080 100.399 1.00737.35 O ATOM 54540 O5* U 02590 166.182 63.559 102.243 1.00737.35 O ATOM 54541 C5* U 02590 166.572 63.033 103.510 1.00737.35 C ATOM 54542 C4* U 02590 168.013 62.575 103.470 1.00737.35 C ATOM 54543 O4* U 02590 168.136 61.489 102.514 1.00737.35 O ATOM 54544 C3* U 02590 169.022 63.612 103.001 1.00737.35 C ATOM 54545 O3* U 02590 169.456 64.436 104.082 1.00737.35 O ATOM 54546 C2* U 02590 170.159 62.742 102.475 1.00737.35 C ATOM 54547 O2* U 02590 171.003 62.259 103.505 1.00737.35 O ATOM 54548 C1* U 02590 169.389 61.576 101.850 1.00737.35 C ATOM 54549 N1 U 02590 169.147 61.732 100.404 1.00737.35 N ATOM 54550 C2 U 02590 170.113 61.253 99.530 1.00737.35 C ATOM 54551 O2 U 02590 171.143 60.714 99.904 1.00737.35 O ATOM 54552 N3 U 02590 169.827 61.431 98.199 1.00737.35 N ATOM 54553 C4 U 02590 168.704 62.023 97.659 1.00737.35 C ATOM 54554 O4 U 02590 168.598 62.117 96.434 1.00737.35 O ATOM 54555 C5 U 02590 167.755 62.488 98.623 1.00737.35 C ATOM 54556 C6 U 02590 168.001 62.332 99.926 1.00737.35 C ATOM 54557 P C 02591 169.397 66.039 103.939 1.00737.35 P ATOM 54558 O1P C 02591 168.086 66.481 104.480 1.00737.35 O ATOM 54559 O2P C 02591 169.776 66.403 102.548 1.00737.35 O ATOM 54560 O5* C 02591 170.539 66.570 104.916 1.00737.35 O ATOM 54561 C5* C 02591 170.780 65.953 106.180 1.00737.35 C ATOM 54562 C4* C 02591 171.154 66.997 107.212 1.00737.35 C ATOM 54563 O4* C 02591 171.376 66.341 108.489 1.00737.35 O ATOM 54564 C3* C 02591 172.447 67.756 106.952 1.00737.35 C ATOM 54565 O3* C 02591 172.220 68.863 106.082 1.00737.35 O ATOM 54566 C2* C 02591 172.841 68.212 108.353 1.00737.35 C ATOM 54567 O2* C 02591 172.144 69.365 108.780 1.00737.35 O ATOM 54568 C1* C 02591 172.412 67.010 109.198 1.00737.35 C ATOM 54569 N1 C 02591 173.503 66.052 109.466 1.00737.35 N ATOM 54570 C2 C 02591 174.330 66.263 110.583 1.00737.35 C ATOM 54571 O2 C 02591 174.127 67.249 111.313 1.00737.35 O ATOM 54572 N3 C 02591 175.331 65.386 110.840 1.00737.35 N ATOM 54573 C4 C 02591 175.523 64.339 110.036 1.00737.35 C ATOM 54574 N4 C 02591 176.517 63.499 110.332 1.00737.35 N ATOM 54575 C5 C 02591 174.704 64.103 108.894 1.00737.35 C ATOM 54576 C6 C 02591 173.716 64.975 108.648 1.00737.35 C ATOM 54577 P U 02592 173.377 69.333 105.066 1.00737.35 P ATOM 54578 O1P U 02592 172.817 70.446 104.256 1.00737.35 O ATOM 54579 O2P U 02592 173.919 68.131 104.383 1.00737.35 O ATOM 54580 O5* U 02592 174.515 69.932 106.013 1.00737.35 O ATOM 54581 C5* U 02592 174.203 70.908 107.006 1.00737.35 C ATOM 54582 C4* U 02592 175.450 71.328 107.754 1.00737.35 C ATOM 54583 O4* U 02592 176.052 70.170 108.390 1.00737.35 O ATOM 54584 C3* U 02592 176.571 71.925 106.920 1.00737.35 C ATOM 54585 O3* U 02592 176.352 73.316 106.692 1.00737.35 O ATOM 54586 C2* U 02592 177.790 71.678 107.801 1.00737.35 C ATOM 54587 O2* U 02592 177.916 72.615 108.853 1.00737.35 O ATOM 54588 C1* U 02592 177.468 70.296 108.375 1.00737.35 C ATOM 54589 N1 U 02592 178.034 69.191 107.579 1.00737.35 N ATOM 54590 C2 U 02592 179.386 68.905 107.729 1.00737.35 C ATOM 54591 O2 U 02592 180.119 69.522 108.486 1.00737.35 O ATOM 54592 N3 U 02592 179.846 67.868 106.955 1.00737.35 N ATOM 54593 C4 U 02592 179.117 67.104 106.065 1.00737.35 C ATOM 54594 O4 U 02592 179.679 66.214 105.428 1.00737.35 O ATOM 54595 C5 U 02592 177.735 67.458 105.970 1.00737.35 C ATOM 54596 C6 U 02592 177.253 68.461 106.710 1.00737.35 C ATOM 54597 P A 02593 177.217 74.095 105.577 1.00737.35 P ATOM 54598 O1P A 02593 178.255 74.876 106.296 1.00737.35 O ATOM 54599 O2P A 02593 176.273 74.792 104.667 1.00737.35 O ATOM 54600 O5* A 02593 177.945 72.941 104.754 1.00737.35 O ATOM 54601 C5* A 02593 178.985 73.246 103.827 1.00737.35 C ATOM 54602 C4* A 02593 179.486 71.981 103.171 1.00737.35 C ATOM 54603 O4* A 02593 178.372 71.296 102.544 1.00737.35 O ATOM 54604 C3* A 02593 180.494 72.190 102.053 1.00737.35 C ATOM 54605 O3* A 02593 181.820 72.272 102.574 1.00737.35 O ATOM 54606 C2* A 02593 180.302 70.939 101.201 1.00737.35 C ATOM 54607 O2* A 02593 180.987 69.811 101.708 1.00737.35 O ATOM 54608 C1* A 02593 178.791 70.721 101.317 1.00737.35 C ATOM 54609 N9 A 02593 178.013 71.326 100.233 1.00737.35 N ATOM 54610 C8 A 02593 177.241 72.464 100.283 1.00737.35 C ATOM 54611 N7 A 02593 176.658 72.757 99.148 1.00737.35 N ATOM 54612 C5 A 02593 177.073 71.751 98.287 1.00737.35 C ATOM 54613 C6 A 02593 176.804 71.496 96.933 1.00737.35 C ATOM 54614 N6 A 02593 176.020 72.268 96.177 1.00737.35 N ATOM 54615 N1 A 02593 177.375 70.408 96.373 1.00737.35 N ATOM 54616 C2 A 02593 178.163 69.638 97.133 1.00737.35 C ATOM 54617 N3 A 02593 178.493 69.772 98.414 1.00737.35 N ATOM 54618 C4 A 02593 177.909 70.862 98.941 1.00737.35 C ATOM 54619 P U 02594 182.837 73.382 102.008 1.00737.35 P ATOM 54620 O1P U 02594 183.196 74.263 103.148 1.00737.35 O ATOM 54621 O2P U 02594 182.269 73.980 100.773 1.00737.35 O ATOM 54622 O5* U 02594 184.136 72.550 101.605 1.00737.35 O ATOM 54623 C5* U 02594 184.025 71.333 100.872 1.00737.35 C ATOM 54624 C4* U 02594 185.101 71.255 99.810 1.00737.35 C ATOM 54625 O4* U 02594 184.964 69.997 99.097 1.00737.35 O ATOM 54626 C3* U 02594 185.021 72.334 98.738 1.00737.35 C ATOM 54627 O3* U 02594 185.791 73.468 99.138 1.00737.35 O ATOM 54628 C2* U 02594 185.624 71.644 97.519 1.00737.35 C ATOM 54629 O2* U 02594 187.038 71.661 97.514 1.00737.35 O ATOM 54630 C1* U 02594 185.135 70.206 97.705 1.00737.35 C ATOM 54631 N1 U 02594 183.865 69.880 97.030 1.00737.35 N ATOM 54632 C2 U 02594 183.873 69.726 95.646 1.00737.35 C ATOM 54633 O2 U 02594 184.873 69.884 94.962 1.00737.35 O ATOM 54634 N3 U 02594 182.659 69.384 95.095 1.00737.35 N ATOM 54635 C4 U 02594 181.469 69.182 95.769 1.00737.35 C ATOM 54636 O4 U 02594 180.483 68.773 95.151 1.00737.35 O ATOM 54637 C5 U 02594 181.539 69.382 97.181 1.00737.35 C ATOM 54638 C6 U 02594 182.701 69.717 97.748 1.00737.35 C ATOM 54639 P C 02595 185.337 74.945 98.690 1.00737.35 P ATOM 54640 O1P C 02595 186.320 75.900 99.262 1.00737.35 O ATOM 54641 O2P C 02595 183.893 75.112 98.992 1.00737.35 O ATOM 54642 O5* C 02595 185.509 74.940 97.106 1.00737.35 O ATOM 54643 C5* C 02595 186.795 74.836 96.497 1.00737.35 C ATOM 54644 C4* C 02595 186.651 74.794 94.993 1.00737.35 C ATOM 54645 O4* C 02595 185.922 73.594 94.623 1.00737.35 O ATOM 54646 C3* C 02595 185.852 75.941 94.397 1.00737.35 C ATOM 54647 O3* C 02595 186.692 77.060 94.121 1.00737.35 O ATOM 54648 C2* C 02595 185.276 75.326 93.129 1.00737.35 C ATOM 54649 O2* C 02595 186.185 75.324 92.047 1.00737.35 O ATOM 54650 C1* C 02595 184.998 73.893 93.587 1.00737.35 C ATOM 54651 N1 C 02595 183.630 73.690 94.106 1.00737.35 N ATOM 54652 C2 C 02595 182.572 73.517 93.198 1.00737.35 C ATOM 54653 O2 C 02595 182.811 73.537 91.977 1.00737.35 O ATOM 54654 N3 C 02595 181.320 73.330 93.672 1.00737.35 N ATOM 54655 C4 C 02595 181.100 73.310 94.989 1.00737.35 C ATOM 54656 N4 C 02595 179.850 73.120 95.413 1.00737.35 N ATOM 54657 C5 C 02595 182.153 73.486 95.931 1.00737.35 C ATOM 54658 C6 C 02595 183.387 73.672 95.453 1.00737.35 C ATOM 54659 P C 02596 186.056 78.533 94.027 1.00737.35 P ATOM 54660 O1P C 02596 187.182 79.486 93.846 1.00737.35 O ATOM 54661 O2P C 02596 185.121 78.715 95.168 1.00737.35 O ATOM 54662 O5* C 02596 185.201 78.501 92.682 1.00737.35 O ATOM 54663 C5* C 02596 185.841 78.500 91.407 1.00737.35 C ATOM 54664 C4* C 02596 184.820 78.697 90.307 1.00737.35 C ATOM 54665 O4* C 02596 183.934 77.549 90.253 1.00737.35 O ATOM 54666 C3* C 02596 183.885 79.883 90.480 1.00737.35 C ATOM 54667 O3* C 02596 184.482 81.085 90.011 1.00737.35 O ATOM 54668 C2* C 02596 182.686 79.475 89.631 1.00737.35 C ATOM 54669 O2* C 02596 182.871 79.717 88.250 1.00737.35 O ATOM 54670 C1* C 02596 182.628 77.969 89.891 1.00737.35 C ATOM 54671 N1 C 02596 181.691 77.594 90.969 1.00737.35 N ATOM 54672 C2 C 02596 180.326 77.445 90.663 1.00737.35 C ATOM 54673 O2 C 02596 179.940 77.633 89.494 1.00737.35 O ATOM 54674 N3 C 02596 179.465 77.100 91.649 1.00737.35 N ATOM 54675 C4 C 02596 179.913 76.905 92.892 1.00737.35 C ATOM 54676 N4 C 02596 179.026 76.567 93.830 1.00737.35 N ATOM 54677 C5 C 02596 181.288 77.052 93.230 1.00737.35 C ATOM 54678 C6 C 02596 182.133 77.392 92.249 1.00737.35 C ATOM 54679 P G 02597 184.260 82.456 90.821 1.00737.35 P ATOM 54680 O1P G 02597 184.812 83.557 89.992 1.00737.35 O ATOM 54681 O2P G 02597 184.756 82.264 92.209 1.00737.35 O ATOM 54682 O5* G 02597 182.675 82.618 90.878 1.00737.35 O ATOM 54683 C5* G 02597 181.915 82.816 89.688 1.00737.35 C ATOM 54684 C4* G 02597 180.454 83.013 90.022 1.00737.35 C ATOM 54685 O4* G 02597 179.915 81.795 90.600 1.00737.35 O ATOM 54686 C3* G 02597 180.152 84.083 91.060 1.00737.35 C ATOM 54687 O3* G 02597 180.109 85.376 90.465 1.00737.35 O ATOM 54688 C2* G 02597 178.794 83.647 91.589 1.00737.35 C ATOM 54689 O2* G 02597 177.720 84.031 90.752 1.00737.35 O ATOM 54690 C1* G 02597 178.936 82.122 91.577 1.00737.35 C ATOM 54691 N9 G 02597 179.350 81.560 92.861 1.00737.35 N ATOM 54692 C8 G 02597 180.595 81.085 93.199 1.00737.35 C ATOM 54693 N7 G 02597 180.662 80.642 94.426 1.00737.35 N ATOM 54694 C5 G 02597 179.385 80.837 94.931 1.00737.35 C ATOM 54695 C6 G 02597 178.850 80.549 96.215 1.00737.35 C ATOM 54696 O6 G 02597 179.418 80.047 97.192 1.00737.35 O ATOM 54697 N1 G 02597 177.510 80.910 96.304 1.00737.35 N ATOM 54698 C2 G 02597 176.773 81.471 95.289 1.00737.35 C ATOM 54699 N2 G 02597 175.490 81.748 95.575 1.00737.35 N ATOM 54700 N3 G 02597 177.259 81.743 94.088 1.00737.35 N ATOM 54701 C4 G 02597 178.561 81.402 93.980 1.00737.35 C ATOM 54702 P C 02598 180.440 86.676 91.352 1.00737.35 P ATOM 54703 O1P C 02598 180.416 87.848 90.440 1.00737.35 O ATOM 54704 O2P C 02598 181.654 86.402 92.161 1.00737.35 O ATOM 54705 O5* C 02598 179.194 86.788 92.339 1.00737.35 O ATOM 54706 C5* C 02598 177.884 87.031 91.838 1.00737.35 C ATOM 54707 C4* C 02598 176.865 86.926 92.950 1.00737.35 C ATOM 54708 O4* C 02598 176.844 85.567 93.463 1.00737.35 O ATOM 54709 C3* C 02598 177.130 87.781 94.177 1.00737.35 C ATOM 54710 O3* C 02598 176.672 89.115 93.987 1.00737.35 O ATOM 54711 C2* C 02598 176.336 87.050 95.253 1.00737.35 C ATOM 54712 O2* C 02598 174.953 87.349 95.222 1.00737.35 O ATOM 54713 C1* C 02598 176.559 85.590 94.854 1.00737.35 C ATOM 54714 N1 C 02598 177.672 84.946 95.582 1.00737.35 N ATOM 54715 C2 C 02598 177.426 84.410 96.858 1.00737.35 C ATOM 54716 O2 C 02598 176.284 84.485 97.339 1.00737.35 O ATOM 54717 N3 C 02598 178.441 83.820 97.532 1.00737.35 N ATOM 54718 C4 C 02598 179.658 83.753 96.986 1.00737.35 C ATOM 54719 N4 C 02598 180.625 83.162 97.692 1.00737.35 N ATOM 54720 C5 C 02598 179.936 84.289 95.696 1.00737.35 C ATOM 54721 C6 C 02598 178.924 84.871 95.034 1.00737.35 C ATOM 54722 P U 02599 177.324 90.310 94.841 1.00737.35 P ATOM 54723 O1P U 02599 176.687 91.576 94.391 1.00737.35 O ATOM 54724 O2P U 02599 178.801 90.176 94.789 1.00737.35 O ATOM 54725 O5* U 02599 176.848 90.016 96.334 1.00737.35 O ATOM 54726 C5* U 02599 175.468 90.082 96.690 1.00737.35 C ATOM 54727 C4* U 02599 175.279 89.739 98.150 1.00737.35 C ATOM 54728 O4* U 02599 175.642 88.352 98.378 1.00737.35 O ATOM 54729 C3* U 02599 176.145 90.515 99.129 1.00737.35 C ATOM 54730 O3* U 02599 175.574 91.785 99.430 1.00737.35 O ATOM 54731 C2* U 02599 176.159 89.595 100.344 1.00737.35 C ATOM 54732 O2* U 02599 175.000 89.720 101.145 1.00737.35 O ATOM 54733 C1* U 02599 176.185 88.212 99.684 1.00737.35 C ATOM 54734 N1 U 02599 177.534 87.628 99.579 1.00737.35 N ATOM 54735 C2 U 02599 178.027 86.939 100.683 1.00737.35 C ATOM 54736 O2 U 02599 177.397 86.799 101.718 1.00737.35 O ATOM 54737 N3 U 02599 179.287 86.418 100.522 1.00737.35 N ATOM 54738 C4 U 02599 180.093 86.513 99.405 1.00737.35 C ATOM 54739 O4 U 02599 181.208 85.988 99.417 1.00737.35 O ATOM 54740 C5 U 02599 179.518 87.240 98.313 1.00737.35 C ATOM 54741 C6 U 02599 178.293 87.758 98.434 1.00737.35 C ATOM 54742 P A 02600 176.531 93.013 99.822 1.00737.35 P ATOM 54743 O1P A 02600 175.655 94.143 100.224 1.00737.35 O ATOM 54744 O2P A 02600 177.521 93.204 98.729 1.00737.35 O ATOM 54745 O5* A 02600 177.297 92.494 101.120 1.00737.35 O ATOM 54746 C5* A 02600 178.583 93.002 101.472 1.00737.35 C ATOM 54747 C4* A 02600 179.012 92.440 102.805 1.00737.35 C ATOM 54748 O4* A 02600 178.972 90.989 102.755 1.00737.35 O ATOM 54749 C3* A 02600 180.436 92.761 103.228 1.00737.35 C ATOM 54750 O3* A 02600 180.513 94.043 103.843 1.00737.35 O ATOM 54751 C2* A 02600 180.741 91.633 104.206 1.00737.35 C ATOM 54752 O2* A 02600 180.200 91.855 105.494 1.00737.35 O ATOM 54753 C1* A 02600 180.024 90.455 103.544 1.00737.35 C ATOM 54754 N9 A 02600 180.897 89.657 102.680 1.00737.35 N ATOM 54755 C8 A 02600 181.082 89.771 101.324 1.00737.35 C ATOM 54756 N7 A 02600 181.940 88.909 100.833 1.00737.35 N ATOM 54757 C5 A 02600 182.347 88.177 101.938 1.00737.35 C ATOM 54758 C6 A 02600 183.251 87.108 102.085 1.00737.35 C ATOM 54759 N6 A 02600 183.935 86.575 101.071 1.00737.35 N ATOM 54760 N1 A 02600 183.428 86.603 103.324 1.00737.35 N ATOM 54761 C2 A 02600 182.740 87.141 104.340 1.00737.35 C ATOM 54762 N3 A 02600 181.865 88.142 104.329 1.00737.35 N ATOM 54763 C4 A 02600 181.712 88.624 103.083 1.00737.35 C ATOM 54764 P C 02601 181.917 94.825 103.892 1.00737.35 P ATOM 54765 O1P C 02601 181.651 96.171 104.459 1.00737.35 O ATOM 54766 O2P C 02601 182.573 94.707 102.562 1.00737.35 O ATOM 54767 O5* C 02601 182.779 94.002 104.949 1.00737.35 O ATOM 54768 C5* C 02601 182.353 93.879 106.302 1.00737.35 C ATOM 54769 C4* C 02601 183.173 92.836 107.025 1.00737.35 C ATOM 54770 O4* C 02601 182.990 91.545 106.384 1.00737.35 O ATOM 54771 C3* C 02601 184.680 93.047 107.013 1.00737.35 C ATOM 54772 O3* C 02601 185.077 93.954 108.038 1.00737.35 O ATOM 54773 C2* C 02601 185.201 91.634 107.259 1.00737.35 C ATOM 54774 O2* C 02601 185.172 91.264 108.624 1.00737.35 O ATOM 54775 C1* C 02601 184.190 90.792 106.475 1.00737.35 C ATOM 54776 N1 C 02601 184.643 90.440 105.113 1.00737.35 N ATOM 54777 C2 C 02601 185.473 89.315 104.942 1.00737.35 C ATOM 54778 O2 C 02601 185.808 88.650 105.935 1.00737.35 O ATOM 54779 N3 C 02601 185.887 88.987 103.695 1.00737.35 N ATOM 54780 C4 C 02601 185.513 89.725 102.649 1.00737.35 C ATOM 54781 N4 C 02601 185.948 89.359 101.440 1.00737.35 N ATOM 54782 C5 C 02601 184.674 90.868 102.792 1.00737.35 C ATOM 54783 C6 C 02601 184.268 91.187 104.029 1.00737.35 C ATOM 54784 P G 02602 186.566 94.559 108.035 1.00737.35 P ATOM 54785 O1P G 02602 186.652 95.523 109.161 1.00737.35 O ATOM 54786 O2P G 02602 186.889 95.011 106.655 1.00737.35 O ATOM 54787 O5* G 02602 187.480 93.304 108.387 1.00737.35 O ATOM 54788 C5* G 02602 188.874 93.296 108.090 1.00737.35 C ATOM 54789 C4* G 02602 189.405 91.883 108.135 1.00737.35 C ATOM 54790 O4* G 02602 188.631 91.051 107.231 1.00737.35 O ATOM 54791 C3* G 02602 190.844 91.706 107.679 1.00737.35 C ATOM 54792 O3* G 02602 191.747 91.957 108.755 1.00737.35 O ATOM 54793 C2* G 02602 190.870 90.246 107.243 1.00737.35 C ATOM 54794 O2* G 02602 191.012 89.343 108.323 1.00737.35 O ATOM 54795 C1* G 02602 189.479 90.089 106.624 1.00737.35 C ATOM 54796 N9 G 02602 189.449 90.291 105.175 1.00737.35 N ATOM 54797 C8 G 02602 188.861 91.330 104.491 1.00737.35 C ATOM 54798 N7 G 02602 188.993 91.232 103.196 1.00737.35 N ATOM 54799 C5 G 02602 189.711 90.058 103.010 1.00737.35 C ATOM 54800 C6 G 02602 190.155 89.432 101.817 1.00737.35 C ATOM 54801 O6 G 02602 189.994 89.801 100.647 1.00737.35 O ATOM 54802 N1 G 02602 190.852 88.258 102.086 1.00737.35 N ATOM 54803 C2 G 02602 191.092 87.751 103.338 1.00737.35 C ATOM 54804 N2 G 02602 191.791 86.607 103.391 1.00737.35 N ATOM 54805 N3 G 02602 190.679 88.323 104.460 1.00737.35 N ATOM 54806 C4 G 02602 190.002 89.466 104.221 1.00737.35 C ATOM 54807 P G 02603 193.267 92.371 108.440 1.00737.35 P ATOM 54808 O1P G 02603 193.934 92.632 109.741 1.00737.35 O ATOM 54809 O2P G 02603 193.264 93.426 107.395 1.00737.35 O ATOM 54810 O5* G 02603 193.900 91.051 107.810 1.00737.35 O ATOM 54811 C5* G 02603 194.105 89.881 108.602 1.00737.35 C ATOM 54812 C4* G 02603 194.736 88.790 107.770 1.00737.35 C ATOM 54813 O4* G 02603 193.811 88.382 106.727 1.00737.35 O ATOM 54814 C3* G 02603 196.000 89.189 107.024 1.00737.35 C ATOM 54815 O3* G 02603 197.150 89.056 107.854 1.00737.35 O ATOM 54816 C2* G 02603 196.019 88.206 105.860 1.00737.35 C ATOM 54817 O2* G 02603 196.529 86.936 106.215 1.00737.35 O ATOM 54818 C1* G 02603 194.528 88.093 105.537 1.00737.35 C ATOM 54819 N9 G 02603 194.079 89.011 104.491 1.00737.35 N ATOM 54820 C8 G 02603 193.332 90.156 104.658 1.00737.35 C ATOM 54821 N7 G 02603 193.072 90.765 103.535 1.00737.35 N ATOM 54822 C5 G 02603 193.683 89.980 102.566 1.00737.35 C ATOM 54823 C6 G 02603 193.739 90.140 101.157 1.00737.35 C ATOM 54824 O6 G 02603 193.234 91.031 100.462 1.00737.35 O ATOM 54825 N1 G 02603 194.468 89.119 100.557 1.00737.35 N ATOM 54826 C2 G 02603 195.066 88.076 101.224 1.00737.35 C ATOM 54827 N2 G 02603 195.728 87.191 100.462 1.00737.35 N ATOM 54828 N3 G 02603 195.017 87.915 102.535 1.00737.35 N ATOM 54829 C4 G 02603 194.314 88.897 103.140 1.00737.35 C ATOM 54830 P G 02604 198.348 90.116 107.726 1.00737.35 P ATOM 54831 O1P G 02604 199.488 89.596 108.525 1.00737.35 O ATOM 54832 O2P G 02604 197.807 91.470 108.018 1.00737.35 O ATOM 54833 O5* G 02604 198.753 90.050 106.187 1.00737.35 O ATOM 54834 C5* G 02604 199.454 91.121 105.564 1.00737.35 C ATOM 54835 C4* G 02604 199.939 90.702 104.196 1.00737.35 C ATOM 54836 O4* G 02604 198.812 90.244 103.401 1.00737.35 O ATOM 54837 C3* G 02604 200.565 91.807 103.362 1.00737.35 C ATOM 54838 O3* G 02604 201.943 91.963 103.697 1.00737.35 O ATOM 54839 C2* G 02604 200.372 91.289 101.942 1.00737.35 C ATOM 54840 O2* G 02604 201.346 90.336 101.559 1.00737.35 O ATOM 54841 C1* G 02604 199.001 90.612 102.045 1.00737.35 C ATOM 54842 N9 G 02604 197.887 91.462 101.638 1.00737.35 N ATOM 54843 C8 G 02604 197.227 92.388 102.411 1.00737.35 C ATOM 54844 N7 G 02604 196.265 93.000 101.775 1.00737.35 N ATOM 54845 C5 G 02604 196.291 92.447 100.502 1.00737.35 C ATOM 54846 C6 G 02604 195.479 92.716 99.368 1.00737.35 C ATOM 54847 O6 G 02604 194.547 93.523 99.260 1.00737.35 O ATOM 54848 N1 G 02604 195.843 91.932 98.280 1.00737.35 N ATOM 54849 C2 G 02604 196.856 91.006 98.278 1.00737.35 C ATOM 54850 N2 G 02604 197.048 90.349 97.121 1.00737.35 N ATOM 54851 N3 G 02604 197.622 90.746 99.327 1.00737.35 N ATOM 54852 C4 G 02604 197.286 91.497 100.398 1.00737.35 C ATOM 54853 P C 02605 202.594 93.432 103.757 1.00737.35 P ATOM 54854 O1P C 02605 203.881 93.310 104.486 1.00737.35 O ATOM 54855 O2P C 02605 201.567 94.395 104.237 1.00737.35 O ATOM 54856 O5* C 02605 202.917 93.771 102.234 1.00737.35 O ATOM 54857 C5* C 02605 203.813 92.958 101.477 1.00737.35 C ATOM 54858 C4* C 02605 203.443 92.989 100.013 1.00737.35 C ATOM 54859 O4* C 02605 202.074 92.531 99.866 1.00737.35 O ATOM 54860 C3* C 02605 203.451 94.361 99.355 1.00737.35 C ATOM 54861 O3* C 02605 204.764 94.695 98.910 1.00737.35 O ATOM 54862 C2* C 02605 202.486 94.165 98.191 1.00737.35 C ATOM 54863 O2* C 02605 203.078 93.522 97.079 1.00737.35 O ATOM 54864 C1* C 02605 201.439 93.244 98.817 1.00737.35 C ATOM 54865 N1 C 02605 200.263 93.953 99.364 1.00737.35 N ATOM 54866 C2 C 02605 199.129 94.108 98.551 1.00737.35 C ATOM 54867 O2 C 02605 199.148 93.652 97.395 1.00737.35 O ATOM 54868 N3 C 02605 198.047 94.750 99.044 1.00737.35 N ATOM 54869 C4 C 02605 198.064 95.236 100.284 1.00737.35 C ATOM 54870 N4 C 02605 196.967 95.868 100.719 1.00737.35 N ATOM 54871 C5 C 02605 199.200 95.098 101.134 1.00737.35 C ATOM 54872 C6 C 02605 200.267 94.455 100.638 1.00737.35 C ATOM 54873 P G 02606 205.165 96.237 98.678 1.00737.35 P ATOM 54874 O1P G 02606 206.621 96.271 98.394 1.00737.35 O ATOM 54875 O2P G 02606 204.616 97.043 99.799 1.00737.35 O ATOM 54876 O5* G 02606 204.389 96.641 97.345 1.00737.35 O ATOM 54877 C5* G 02606 204.640 95.962 96.117 1.00737.35 C ATOM 54878 C4* G 02606 203.651 96.399 95.062 1.00737.35 C ATOM 54879 O4* G 02606 202.305 96.073 95.505 1.00737.35 O ATOM 54880 C3* G 02606 203.604 97.891 94.772 1.00737.35 C ATOM 54881 O3* G 02606 204.605 98.257 93.829 1.00737.35 O ATOM 54882 C2* G 02606 202.199 98.066 94.206 1.00737.35 C ATOM 54883 O2* G 02606 202.105 97.697 92.845 1.00737.35 O ATOM 54884 C1* G 02606 201.403 97.077 95.065 1.00737.35 C ATOM 54885 N9 G 02606 200.783 97.691 96.235 1.00737.35 N ATOM 54886 C8 G 02606 201.281 97.730 97.518 1.00737.35 C ATOM 54887 N7 G 02606 200.496 98.355 98.354 1.00737.35 N ATOM 54888 C5 G 02606 199.416 98.753 97.581 1.00737.35 C ATOM 54889 C6 G 02606 198.244 99.470 97.939 1.00737.35 C ATOM 54890 O6 G 02606 197.918 99.911 99.048 1.00737.35 O ATOM 54891 N1 G 02606 197.408 99.662 96.844 1.00737.35 N ATOM 54892 C2 G 02606 197.661 99.220 95.568 1.00737.35 C ATOM 54893 N2 G 02606 196.728 99.504 94.648 1.00737.35 N ATOM 54894 N3 G 02606 198.748 98.551 95.222 1.00737.35 N ATOM 54895 C4 G 02606 199.575 98.354 96.270 1.00737.35 C ATOM 54896 P C 02607 205.208 99.748 93.841 1.00737.35 P ATOM 54897 O1P C 02607 206.265 99.802 92.801 1.00737.35 O ATOM 54898 O2P C 02607 205.541 100.112 95.242 1.00737.35 O ATOM 54899 O5* C 02607 203.993 100.662 93.363 1.00737.35 O ATOM 54900 C5* C 02607 203.447 100.533 92.051 1.00737.35 C ATOM 54901 C4* C 02607 202.341 101.542 91.837 1.00737.35 C ATOM 54902 O4* C 02607 201.261 101.274 92.770 1.00737.35 O ATOM 54903 C3* C 02607 202.714 102.994 92.094 1.00737.35 C ATOM 54904 O3* C 02607 203.324 103.578 90.947 1.00737.35 O ATOM 54905 C2* C 02607 201.365 103.624 92.417 1.00737.35 C ATOM 54906 O2* C 02607 200.608 103.940 91.266 1.00737.35 O ATOM 54907 C1* C 02607 200.683 102.499 93.198 1.00737.35 C ATOM 54908 N1 C 02607 200.847 102.612 94.664 1.00737.35 N ATOM 54909 C2 C 02607 199.960 103.428 95.385 1.00737.35 C ATOM 54910 O2 C 02607 199.063 104.036 94.778 1.00737.35 O ATOM 54911 N3 C 02607 200.103 103.534 96.727 1.00737.35 N ATOM 54912 C4 C 02607 201.080 102.868 97.350 1.00737.35 C ATOM 54913 N4 C 02607 201.184 103.003 98.674 1.00737.35 N ATOM 54914 C5 C 02607 201.993 102.032 96.642 1.00737.35 C ATOM 54915 C6 C 02607 201.842 101.936 95.315 1.00737.35 C ATOM 54916 P A 02608 204.254 104.884 91.108 1.00737.35 P ATOM 54917 O1P A 02608 203.402 105.976 91.646 1.00737.35 O ATOM 54918 O2P A 02608 204.979 105.088 89.826 1.00737.35 O ATOM 54919 O5* A 02608 205.324 104.482 92.221 1.00737.35 O ATOM 54920 C5* A 02608 204.971 104.434 93.601 1.00737.35 C ATOM 54921 C4* A 02608 206.201 104.253 94.458 1.00737.35 C ATOM 54922 O4* A 02608 206.850 103.002 94.109 1.00737.35 O ATOM 54923 C3* A 02608 207.287 105.303 94.292 1.00737.35 C ATOM 54924 O3* A 02608 206.997 106.444 95.098 1.00737.35 O ATOM 54925 C2* A 02608 208.529 104.556 94.764 1.00737.35 C ATOM 54926 O2* A 02608 208.651 104.511 96.171 1.00737.35 O ATOM 54927 C1* A 02608 208.259 103.149 94.226 1.00737.35 C ATOM 54928 N9 A 02608 208.862 102.902 92.913 1.00737.35 N ATOM 54929 C8 A 02608 208.261 102.953 91.678 1.00737.35 C ATOM 54930 N7 A 02608 209.071 102.678 90.685 1.00737.35 N ATOM 54931 C5 A 02608 210.286 102.430 91.305 1.00737.35 C ATOM 54932 C6 A 02608 211.553 102.082 90.799 1.00737.35 C ATOM 54933 N6 A 02608 211.810 101.915 89.499 1.00737.35 N ATOM 54934 N1 A 02608 212.557 101.909 91.685 1.00737.35 N ATOM 54935 C2 A 02608 212.297 102.073 92.988 1.00737.35 C ATOM 54936 N3 A 02608 211.153 102.397 93.585 1.00737.35 N ATOM 54937 C4 A 02608 210.175 102.564 92.677 1.00737.35 C ATOM 54938 P G 02609 207.923 107.759 95.000 1.00737.35 P ATOM 54939 O1P G 02609 207.016 108.935 95.023 1.00737.35 O ATOM 54940 O2P G 02609 208.888 107.602 93.881 1.00737.35 O ATOM 54941 O5* G 02609 208.741 107.745 96.368 1.00737.35 O ATOM 54942 C5* G 02609 208.151 107.243 97.564 1.00737.35 C ATOM 54943 C4* G 02609 209.213 106.976 98.605 1.00737.35 C ATOM 54944 O4* G 02609 209.850 108.228 98.973 1.00737.35 O ATOM 54945 C3* G 02609 208.680 106.421 99.917 1.00737.35 C ATOM 54946 O3* G 02609 208.564 105.001 99.842 1.00737.35 O ATOM 54947 C2* G 02609 209.746 106.860 100.911 1.00737.35 C ATOM 54948 O2* G 02609 210.891 106.030 100.900 1.00737.35 O ATOM 54949 C1* G 02609 210.108 108.244 100.366 1.00737.35 C ATOM 54950 N9 G 02609 209.333 109.331 100.965 1.00737.35 N ATOM 54951 C8 G 02609 208.307 110.033 100.379 1.00737.35 C ATOM 54952 N7 G 02609 207.803 110.952 101.158 1.00737.35 N ATOM 54953 C5 G 02609 208.542 110.853 102.328 1.00737.35 C ATOM 54954 C6 G 02609 208.451 111.593 103.534 1.00737.35 C ATOM 54955 O6 G 02609 207.676 112.517 103.815 1.00737.35 O ATOM 54956 N1 G 02609 209.387 111.164 104.469 1.00737.35 N ATOM 54957 C2 G 02609 210.296 110.153 104.272 1.00737.35 C ATOM 54958 N2 G 02609 211.116 109.888 105.303 1.00737.35 N ATOM 54959 N3 G 02609 210.393 109.456 103.152 1.00737.35 N ATOM 54960 C4 G 02609 209.491 109.855 102.228 1.00737.35 C ATOM 54961 P G 02610 207.159 104.293 100.181 1.00737.35 P ATOM 54962 O1P G 02610 207.275 102.872 99.766 1.00737.35 O ATOM 54963 O2P G 02610 206.063 105.130 99.630 1.00737.35 O ATOM 54964 O5* G 02610 207.072 104.345 101.771 1.00737.35 O ATOM 54965 C5* G 02610 207.832 103.446 102.578 1.00737.35 C ATOM 54966 C4* G 02610 207.714 103.823 104.038 1.00737.35 C ATOM 54967 O4* G 02610 208.288 105.141 104.237 1.00737.35 O ATOM 54968 C3* G 02610 206.298 103.940 104.578 1.00737.35 C ATOM 54969 O3* G 02610 205.796 102.671 104.984 1.00737.35 O ATOM 54970 C2* G 02610 206.481 104.884 105.760 1.00737.35 C ATOM 54971 O2* G 02610 206.960 104.236 106.922 1.00737.35 O ATOM 54972 C1* G 02610 207.547 105.842 105.223 1.00737.35 C ATOM 54973 N9 G 02610 206.996 107.053 104.617 1.00737.35 N ATOM 54974 C8 G 02610 206.935 107.360 103.278 1.00737.35 C ATOM 54975 N7 G 02610 206.389 108.522 103.044 1.00737.35 N ATOM 54976 C5 G 02610 206.071 109.014 104.302 1.00737.35 C ATOM 54977 C6 G 02610 205.458 110.236 104.683 1.00737.35 C ATOM 54978 O6 G 02610 205.064 111.160 103.960 1.00737.35 O ATOM 54979 N1 G 02610 205.321 110.329 106.063 1.00737.35 N ATOM 54980 C2 G 02610 205.720 109.373 106.965 1.00737.35 C ATOM 54981 N2 G 02610 205.497 109.648 108.257 1.00737.35 N ATOM 54982 N3 G 02610 206.297 108.233 106.623 1.00737.35 N ATOM 54983 C4 G 02610 206.439 108.118 105.285 1.00737.35 C ATOM 54984 P A 02611 204.207 102.429 105.059 1.00737.35 P ATOM 54985 O1P A 02611 203.970 101.076 105.625 1.00737.35 O ATOM 54986 O2P A 02611 203.638 102.781 103.733 1.00737.35 O ATOM 54987 O5* A 02611 203.712 103.507 106.121 1.00737.35 O ATOM 54988 C5* A 02611 202.338 103.878 106.204 1.00737.35 C ATOM 54989 C4* A 02611 202.145 104.927 107.272 1.00737.35 C ATOM 54990 O4* A 02611 202.983 106.077 106.983 1.00737.35 O ATOM 54991 C3* A 02611 200.741 105.500 107.364 1.00737.35 C ATOM 54992 O3* A 02611 199.900 104.665 108.150 1.00737.35 O ATOM 54993 C2* A 02611 200.987 106.854 108.017 1.00737.35 C ATOM 54994 O2* A 02611 201.142 106.777 109.418 1.00737.35 O ATOM 54995 C1* A 02611 202.311 107.268 107.368 1.00737.35 C ATOM 54996 N9 A 02611 202.143 108.107 106.181 1.00737.35 N ATOM 54997 C8 A 02611 202.003 107.707 104.872 1.00737.35 C ATOM 54998 N7 A 02611 201.863 108.697 104.027 1.00737.35 N ATOM 54999 C5 A 02611 201.912 109.830 104.829 1.00737.35 C ATOM 55000 C6 A 02611 201.821 111.202 104.534 1.00737.35 C ATOM 55001 N6 A 02611 201.656 111.688 103.302 1.00737.35 N ATOM 55002 N1 A 02611 201.908 112.073 105.564 1.00737.35 N ATOM 55003 C2 A 02611 202.073 111.586 106.800 1.00737.35 C ATOM 55004 N3 A 02611 202.173 110.322 107.203 1.00737.35 N ATOM 55005 C4 A 02611 202.083 109.482 106.158 1.00737.35 C ATOM 55006 P G 02612 198.306 104.725 107.952 1.00737.35 P ATOM 55007 O1P G 02612 197.693 103.659 108.787 1.00737.35 O ATOM 55008 O2P G 02612 198.032 104.757 106.492 1.00737.35 O ATOM 55009 O5* G 02612 197.905 106.140 108.560 1.00737.35 O ATOM 55010 C5* G 02612 197.845 106.341 109.970 1.00737.35 C ATOM 55011 C4* G 02612 197.252 107.694 110.283 1.00737.35 C ATOM 55012 O4* G 02612 198.177 108.740 109.884 1.00737.35 O ATOM 55013 C3* G 02612 195.965 108.027 109.543 1.00737.35 C ATOM 55014 O3* G 02612 194.835 107.463 110.197 1.00737.35 O ATOM 55015 C2* G 02612 195.962 109.550 109.573 1.00737.35 C ATOM 55016 O2* G 02612 195.499 110.079 110.800 1.00737.35 O ATOM 55017 C1* G 02612 197.451 109.861 109.402 1.00737.35 C ATOM 55018 N9 G 02612 197.843 110.098 108.014 1.00737.35 N ATOM 55019 C8 G 02612 198.269 109.163 107.097 1.00737.35 C ATOM 55020 N7 G 02612 198.551 109.680 105.932 1.00737.35 N ATOM 55021 C5 G 02612 198.296 111.036 106.085 1.00737.35 C ATOM 55022 C6 G 02612 198.420 112.106 105.160 1.00737.35 C ATOM 55023 O6 G 02612 198.790 112.067 103.981 1.00737.35 O ATOM 55024 N1 G 02612 198.054 113.320 105.731 1.00737.35 N ATOM 55025 C2 G 02612 197.626 113.488 107.024 1.00737.35 C ATOM 55026 N2 G 02612 197.320 114.742 107.389 1.00737.35 N ATOM 55027 N3 G 02612 197.509 112.502 107.898 1.00737.35 N ATOM 55028 C4 G 02612 197.857 111.311 107.364 1.00737.35 C ATOM 55029 P A 02613 193.540 107.048 109.338 1.00737.35 P ATOM 55030 O1P A 02613 192.586 106.359 110.245 1.00737.35 O ATOM 55031 O2P A 02613 194.011 106.356 108.110 1.00737.35 O ATOM 55032 O5* A 02613 192.907 108.444 108.908 1.00737.35 O ATOM 55033 C5* A 02613 192.366 109.330 109.885 1.00737.35 C ATOM 55034 C4* A 02613 192.001 110.656 109.259 1.00737.35 C ATOM 55035 O4* A 02613 193.199 111.299 108.748 1.00737.35 O ATOM 55036 C3* A 02613 191.068 110.605 108.058 1.00737.35 C ATOM 55037 O3* A 02613 189.708 110.509 108.477 1.00737.35 O ATOM 55038 C2* A 02613 191.361 111.936 107.373 1.00737.35 C ATOM 55039 O2* A 02613 190.686 113.027 107.966 1.00737.35 O ATOM 55040 C1* A 02613 192.868 112.082 107.611 1.00737.35 C ATOM 55041 N9 A 02613 193.692 111.644 106.482 1.00737.35 N ATOM 55042 C8 A 02613 194.265 110.411 106.273 1.00737.35 C ATOM 55043 N7 A 02613 194.953 110.331 105.160 1.00737.35 N ATOM 55044 C5 A 02613 194.826 111.594 104.596 1.00737.35 C ATOM 55045 C6 A 02613 195.325 112.155 103.407 1.00737.35 C ATOM 55046 N6 A 02613 196.088 111.489 102.537 1.00737.35 N ATOM 55047 N1 A 02613 195.012 113.443 103.139 1.00737.35 N ATOM 55048 C2 A 02613 194.249 114.110 104.013 1.00737.35 C ATOM 55049 N3 A 02613 193.719 113.693 105.161 1.00737.35 N ATOM 55050 C4 A 02613 194.050 112.412 105.399 1.00737.35 C ATOM 55051 P A 02614 188.594 109.935 107.467 1.00737.35 P ATOM 55052 O1P A 02614 187.335 109.754 108.234 1.00737.35 O ATOM 55053 O2P A 02614 189.187 108.777 106.746 1.00737.35 O ATOM 55054 O5* A 02614 188.372 111.120 106.423 1.00737.35 O ATOM 55055 C5* A 02614 187.899 112.393 106.861 1.00737.35 C ATOM 55056 C4* A 02614 188.050 113.425 105.768 1.00737.35 C ATOM 55057 O4* A 02614 189.439 113.478 105.343 1.00737.35 O ATOM 55058 C3* A 02614 187.279 113.179 104.480 1.00737.35 C ATOM 55059 O3* A 02614 185.933 113.638 104.606 1.00737.35 O ATOM 55060 C2* A 02614 188.071 114.002 103.470 1.00737.35 C ATOM 55061 O2* A 02614 187.751 115.380 103.501 1.00737.35 O ATOM 55062 C1* A 02614 189.503 113.794 103.961 1.00737.35 C ATOM 55063 N9 A 02614 190.204 112.712 103.265 1.00737.35 N ATOM 55064 C8 A 02614 190.239 111.376 103.585 1.00737.35 C ATOM 55065 N7 A 02614 190.956 110.652 102.758 1.00737.35 N ATOM 55066 C5 A 02614 191.427 111.572 101.832 1.00737.35 C ATOM 55067 C6 A 02614 192.244 111.439 100.695 1.00737.35 C ATOM 55068 N6 A 02614 192.755 110.276 100.283 1.00737.35 N ATOM 55069 N1 A 02614 192.524 112.556 99.988 1.00737.35 N ATOM 55070 C2 A 02614 192.011 113.721 100.401 1.00737.35 C ATOM 55071 N3 A 02614 191.231 113.974 101.449 1.00737.35 N ATOM 55072 C4 A 02614 190.971 112.845 102.130 1.00737.35 C ATOM 55073 P U 02615 184.877 113.355 103.426 1.00737.35 P ATOM 55074 O1P U 02615 183.519 113.665 103.944 1.00737.35 O ATOM 55075 O2P U 02615 185.156 112.009 102.866 1.00737.35 O ATOM 55076 O5* U 02615 185.249 114.441 102.320 1.00737.35 O ATOM 55077 C5* U 02615 184.821 114.287 100.968 1.00737.35 C ATOM 55078 C4* U 02615 185.753 115.024 100.038 1.00737.35 C ATOM 55079 O4* U 02615 187.119 114.589 100.271 1.00737.35 O ATOM 55080 C3* U 02615 185.513 114.766 98.560 1.00737.35 C ATOM 55081 O3* U 02615 184.501 115.631 98.056 1.00737.35 O ATOM 55082 C2* U 02615 186.878 115.063 97.955 1.00737.35 C ATOM 55083 O2* U 02615 187.113 116.444 97.770 1.00737.35 O ATOM 55084 C1* U 02615 187.814 114.513 99.036 1.00737.35 C ATOM 55085 N1 U 02615 188.214 113.111 98.810 1.00737.35 N ATOM 55086 C2 U 02615 189.343 112.872 98.040 1.00737.35 C ATOM 55087 O2 U 02615 190.019 113.762 97.547 1.00737.35 O ATOM 55088 N3 U 02615 189.653 111.544 97.870 1.00737.35 N ATOM 55089 C4 U 02615 188.967 110.457 98.372 1.00737.35 C ATOM 55090 O4 U 02615 189.363 109.319 98.116 1.00737.35 O ATOM 55091 C5 U 02615 187.818 110.786 99.155 1.00737.35 C ATOM 55092 C6 U 02615 187.486 112.067 99.343 1.00737.35 C ATOM 55093 P U 02616 183.539 115.130 96.869 1.00737.35 P ATOM 55094 O1P U 02616 182.608 116.246 96.567 1.00737.35 O ATOM 55095 O2P U 02616 182.991 113.796 97.228 1.00737.35 O ATOM 55096 O5* U 02616 184.519 114.951 95.625 1.00737.35 O ATOM 55097 C5* U 02616 185.093 116.083 94.973 1.00737.35 C ATOM 55098 C4* U 02616 186.061 115.631 93.906 1.00737.35 C ATOM 55099 O4* U 02616 187.142 114.890 94.533 1.00737.35 O ATOM 55100 C3* U 02616 185.488 114.678 92.866 1.00737.35 C ATOM 55101 O3* U 02616 184.876 115.398 91.799 1.00737.35 O ATOM 55102 C2* U 02616 186.726 113.917 92.407 1.00737.35 C ATOM 55103 O2* U 02616 187.499 114.642 91.468 1.00737.35 O ATOM 55104 C1* U 02616 187.502 113.785 93.720 1.00737.35 C ATOM 55105 N1 U 02616 187.221 112.546 94.468 1.00737.35 N ATOM 55106 C2 U 02616 187.954 111.412 94.149 1.00737.35 C ATOM 55107 O2 U 02616 188.797 111.389 93.267 1.00737.35 O ATOM 55108 N3 U 02616 187.658 110.301 94.899 1.00737.35 N ATOM 55109 C4 U 02616 186.726 110.203 95.911 1.00737.35 C ATOM 55110 O4 U 02616 186.600 109.139 96.520 1.00737.35 O ATOM 55111 C5 U 02616 186.000 111.407 96.174 1.00737.35 C ATOM 55112 C6 U 02616 186.266 112.508 95.464 1.00737.35 C ATOM 55113 P G 02617 183.584 114.787 91.060 1.00737.35 P ATOM 55114 O1P G 02617 183.191 115.742 89.993 1.00737.35 O ATOM 55115 O2P G 02617 182.591 114.392 92.094 1.00737.35 O ATOM 55116 O5* G 02617 184.126 113.459 90.366 1.00737.35 O ATOM 55117 C5* G 02617 185.092 113.517 89.315 1.00737.35 C ATOM 55118 C4* G 02617 185.635 112.134 89.032 1.00737.35 C ATOM 55119 O4* G 02617 186.328 111.645 90.210 1.00737.35 O ATOM 55120 C3* G 02617 184.586 111.074 88.728 1.00737.35 C ATOM 55121 O3* G 02617 184.250 111.071 87.341 1.00737.35 O ATOM 55122 C2* G 02617 185.284 109.789 89.152 1.00737.35 C ATOM 55123 O2* G 02617 186.176 109.293 88.174 1.00737.35 O ATOM 55124 C1* G 02617 186.070 110.262 90.379 1.00737.35 C ATOM 55125 N9 G 02617 185.361 110.078 91.643 1.00737.35 N ATOM 55126 C8 G 02617 184.580 111.001 92.298 1.00737.35 C ATOM 55127 N7 G 02617 184.086 110.554 93.421 1.00737.35 N ATOM 55128 C5 G 02617 184.566 109.255 93.514 1.00737.35 C ATOM 55129 C6 G 02617 184.371 108.275 94.518 1.00737.35 C ATOM 55130 O6 G 02617 183.718 108.364 95.567 1.00737.35 O ATOM 55131 N1 G 02617 185.034 107.091 94.216 1.00737.35 N ATOM 55132 C2 G 02617 185.793 106.877 93.092 1.00737.35 C ATOM 55133 N2 G 02617 186.353 105.663 92.977 1.00737.35 N ATOM 55134 N3 G 02617 185.990 107.786 92.150 1.00737.35 N ATOM 55135 C4 G 02617 185.352 108.942 92.423 1.00737.35 C ATOM 55136 P A 02618 182.865 110.415 86.849 1.00737.35 P ATOM 55137 O1P A 02618 182.216 111.396 85.943 1.00737.35 O ATOM 55138 O2P A 02618 182.116 109.903 88.029 1.00737.35 O ATOM 55139 O5* A 02618 183.325 109.165 85.976 1.00737.35 O ATOM 55140 C5* A 02618 184.093 109.345 84.786 1.00737.35 C ATOM 55141 C4* A 02618 184.611 108.016 84.285 1.00737.35 C ATOM 55142 O4* A 02618 185.484 107.432 85.290 1.00737.35 O ATOM 55143 C3* A 02618 183.561 106.945 84.033 1.00737.35 C ATOM 55144 O3* A 02618 182.986 107.076 82.736 1.00737.35 O ATOM 55145 C2* A 02618 184.373 105.661 84.157 1.00737.35 C ATOM 55146 O2* A 02618 185.109 105.353 82.991 1.00737.35 O ATOM 55147 C1* A 02618 185.330 106.021 85.295 1.00737.35 C ATOM 55148 N9 A 02618 184.841 105.610 86.613 1.00737.35 N ATOM 55149 C8 A 02618 184.299 106.396 87.603 1.00737.35 C ATOM 55150 N7 A 02618 183.953 105.731 88.677 1.00737.35 N ATOM 55151 C5 A 02618 184.288 104.418 88.379 1.00737.35 C ATOM 55152 C6 A 02618 184.171 103.223 89.108 1.00737.35 C ATOM 55153 N6 A 02618 183.665 103.154 90.342 1.00737.35 N ATOM 55154 N1 A 02618 184.596 102.083 88.522 1.00737.35 N ATOM 55155 C2 A 02618 185.105 102.151 87.285 1.00737.35 C ATOM 55156 N3 A 02618 185.268 103.212 86.498 1.00737.35 N ATOM 55157 C4 A 02618 184.837 104.328 87.112 1.00737.35 C ATOM 55158 P G 02619 181.477 106.580 82.480 1.00737.35 P ATOM 55159 O1P G 02619 181.273 106.534 81.010 1.00737.35 O ATOM 55160 O2P G 02619 180.568 107.396 83.325 1.00737.35 O ATOM 55161 O5* G 02619 181.470 105.080 83.025 1.00737.35 O ATOM 55162 C5* G 02619 180.252 104.435 83.380 1.00737.35 C ATOM 55163 C4* G 02619 180.531 103.243 84.265 1.00737.35 C ATOM 55164 O4* G 02619 181.304 103.669 85.419 1.00737.35 O ATOM 55165 C3* G 02619 179.299 102.577 84.859 1.00737.35 C ATOM 55166 O3* G 02619 178.742 101.632 83.950 1.00737.35 O ATOM 55167 C2* G 02619 179.861 101.912 86.109 1.00737.35 C ATOM 55168 O2* G 02619 180.513 100.684 85.844 1.00737.35 O ATOM 55169 C1* G 02619 180.883 102.952 86.572 1.00737.35 C ATOM 55170 N9 G 02619 180.344 103.907 87.537 1.00737.35 N ATOM 55171 C8 G 02619 179.813 105.148 87.264 1.00737.35 C ATOM 55172 N7 G 02619 179.410 105.779 88.333 1.00737.35 N ATOM 55173 C5 G 02619 179.691 104.909 89.376 1.00737.35 C ATOM 55174 C6 G 02619 179.477 105.049 90.768 1.00737.35 C ATOM 55175 O6 G 02619 178.980 106.002 91.379 1.00737.35 O ATOM 55176 N1 G 02619 179.905 103.925 91.467 1.00737.35 N ATOM 55177 C2 G 02619 180.471 102.810 90.901 1.00737.35 C ATOM 55178 N2 G 02619 180.821 101.829 91.750 1.00737.35 N ATOM 55179 N3 G 02619 180.679 102.666 89.601 1.00737.35 N ATOM 55180 C4 G 02619 180.268 103.747 88.902 1.00737.35 C ATOM 55181 P G 02620 177.175 101.278 84.034 1.00737.35 P ATOM 55182 O1P G 02620 176.877 100.335 82.923 1.00737.35 O ATOM 55183 O2P G 02620 176.408 102.546 84.142 1.00737.35 O ATOM 55184 O5* G 02620 177.032 100.488 85.410 1.00737.35 O ATOM 55185 C5* G 02620 177.618 99.199 85.579 1.00737.35 C ATOM 55186 C4* G 02620 177.450 98.729 87.005 1.00737.35 C ATOM 55187 O4* G 02620 178.189 99.606 87.895 1.00737.35 O ATOM 55188 C3* G 02620 176.030 98.754 87.550 1.00737.35 C ATOM 55189 O3* G 02620 175.311 97.584 87.171 1.00737.35 O ATOM 55190 C2* G 02620 176.265 98.824 89.054 1.00737.35 C ATOM 55191 O2* G 02620 176.561 97.565 89.629 1.00737.35 O ATOM 55192 C1* G 02620 177.496 99.729 89.129 1.00737.35 C ATOM 55193 N9 G 02620 177.168 101.136 89.340 1.00737.35 N ATOM 55194 C8 G 02620 177.044 102.118 88.383 1.00737.35 C ATOM 55195 N7 G 02620 176.734 103.284 88.881 1.00737.35 N ATOM 55196 C5 G 02620 176.649 103.063 90.249 1.00737.35 C ATOM 55197 C6 G 02620 176.345 103.958 91.308 1.00737.35 C ATOM 55198 O6 G 02620 176.080 105.165 91.247 1.00737.35 O ATOM 55199 N1 G 02620 176.368 103.315 92.541 1.00737.35 N ATOM 55200 C2 G 02620 176.648 101.984 92.734 1.00737.35 C ATOM 55201 N2 G 02620 176.621 101.551 94.004 1.00737.35 N ATOM 55202 N3 G 02620 176.933 101.139 91.758 1.00737.35 N ATOM 55203 C4 G 02620 176.918 101.742 90.550 1.00737.35 C ATOM 55204 P G 02621 173.706 97.629 87.078 1.00737.35 P ATOM 55205 O1P G 02621 173.260 96.319 86.541 1.00737.35 O ATOM 55206 O2P G 02621 173.307 98.879 86.382 1.00737.35 O ATOM 55207 O5* G 02621 173.238 97.732 88.596 1.00737.35 O ATOM 55208 C5* G 02621 173.482 96.666 89.511 1.00737.35 C ATOM 55209 C4* G 02621 173.137 97.088 90.921 1.00737.35 C ATOM 55210 O4* G 02621 174.003 98.181 91.326 1.00737.35 O ATOM 55211 C3* G 02621 171.734 97.634 91.135 1.00737.35 C ATOM 55212 O3* G 02621 170.788 96.582 91.303 1.00737.35 O ATOM 55213 C2* G 02621 171.901 98.454 92.408 1.00737.35 C ATOM 55214 O2* G 02621 171.876 97.666 93.583 1.00737.35 O ATOM 55215 C1* G 02621 173.298 99.042 92.209 1.00737.35 C ATOM 55216 N9 G 02621 173.282 100.390 91.643 1.00737.35 N ATOM 55217 C8 G 02621 173.650 100.770 90.373 1.00737.35 C ATOM 55218 N7 G 02621 173.525 102.054 90.166 1.00737.35 N ATOM 55219 C5 G 02621 173.046 102.553 91.370 1.00737.35 C ATOM 55220 C6 G 02621 172.718 103.882 91.753 1.00737.35 C ATOM 55221 O6 G 02621 172.788 104.918 91.080 1.00737.35 O ATOM 55222 N1 G 02621 172.267 103.937 93.066 1.00737.35 N ATOM 55223 C2 G 02621 172.148 102.860 93.909 1.00737.35 C ATOM 55224 N2 G 02621 171.691 103.116 95.143 1.00737.35 N ATOM 55225 N3 G 02621 172.452 101.620 93.568 1.00737.35 N ATOM 55226 C4 G 02621 172.892 101.539 92.293 1.00737.35 C ATOM 55227 P G 02622 169.233 96.850 90.995 1.00737.35 P ATOM 55228 O1P G 02622 168.508 95.578 91.242 1.00737.35 O ATOM 55229 O2P G 02622 169.123 97.510 89.667 1.00737.35 O ATOM 55230 O5* G 02622 168.795 97.899 92.110 1.00737.35 O ATOM 55231 C5* G 02622 168.741 97.527 93.487 1.00737.35 C ATOM 55232 C4* G 02622 168.200 98.667 94.322 1.00737.35 C ATOM 55233 O4* G 02622 169.126 99.782 94.290 1.00737.35 O ATOM 55234 C3* G 02622 166.880 99.262 93.857 1.00737.35 C ATOM 55235 O3* G 02622 165.782 98.493 94.339 1.00737.35 O ATOM 55236 C2* G 02622 166.915 100.656 94.475 1.00737.35 C ATOM 55237 O2* G 02622 166.519 100.670 95.832 1.00737.35 O ATOM 55238 C1* G 02622 168.404 101.003 94.369 1.00737.35 C ATOM 55239 N9 G 02622 168.744 101.824 93.210 1.00737.35 N ATOM 55240 C8 G 02622 169.231 101.394 91.998 1.00737.35 C ATOM 55241 N7 G 02622 169.449 102.369 91.158 1.00737.35 N ATOM 55242 C5 G 02622 169.080 103.513 91.853 1.00737.35 C ATOM 55243 C6 G 02622 169.098 104.876 91.455 1.00737.35 C ATOM 55244 O6 G 02622 169.455 105.362 90.375 1.00737.35 O ATOM 55245 N1 G 02622 168.638 105.710 92.470 1.00737.35 N ATOM 55246 C2 G 02622 168.217 105.291 93.706 1.00737.35 C ATOM 55247 N2 G 02622 167.807 106.253 94.548 1.00737.35 N ATOM 55248 N3 G 02622 168.199 104.024 94.091 1.00737.35 N ATOM 55249 C4 G 02622 168.640 103.196 93.121 1.00737.35 C ATOM 55250 P A 02623 164.428 98.405 93.475 1.00737.35 P ATOM 55251 O1P A 02623 163.515 97.470 94.182 1.00737.35 O ATOM 55252 O2P A 02623 164.787 98.145 92.057 1.00737.35 O ATOM 55253 O5* A 02623 163.813 99.871 93.574 1.00737.35 O ATOM 55254 C5* A 02623 163.384 100.403 94.827 1.00737.35 C ATOM 55255 C4* A 02623 163.156 101.893 94.711 1.00737.35 C ATOM 55256 O4* A 02623 164.410 102.543 94.374 1.00737.35 O ATOM 55257 C3* A 02623 162.196 102.332 93.616 1.00737.35 C ATOM 55258 O3* A 02623 160.843 102.274 94.066 1.00737.35 O ATOM 55259 C2* A 02623 162.646 103.763 93.348 1.00737.35 C ATOM 55260 O2* A 02623 162.145 104.691 94.291 1.00737.35 O ATOM 55261 C1* A 02623 164.164 103.634 93.500 1.00737.35 C ATOM 55262 N9 A 02623 164.854 103.376 92.233 1.00737.35 N ATOM 55263 C8 A 02623 165.139 102.161 91.656 1.00737.35 C ATOM 55264 N7 A 02623 165.767 102.256 90.510 1.00737.35 N ATOM 55265 C5 A 02623 165.907 103.623 90.317 1.00737.35 C ATOM 55266 C6 A 02623 166.490 104.377 89.286 1.00737.35 C ATOM 55267 N6 A 02623 167.065 103.838 88.206 1.00737.35 N ATOM 55268 N1 A 02623 166.462 105.723 89.397 1.00737.35 N ATOM 55269 C2 A 02623 165.885 106.263 90.478 1.00737.35 C ATOM 55270 N3 A 02623 165.306 105.661 91.512 1.00737.35 N ATOM 55271 C4 A 02623 165.350 104.326 91.372 1.00737.35 C ATOM 55272 P G 02624 159.669 101.930 93.021 1.00737.35 P ATOM 55273 O1P G 02624 158.386 101.972 93.768 1.00737.35 O ATOM 55274 O2P G 02624 160.047 100.701 92.279 1.00737.35 O ATOM 55275 O5* G 02624 159.688 103.153 92.000 1.00737.35 O ATOM 55276 C5* G 02624 159.465 104.489 92.448 1.00737.35 C ATOM 55277 C4* G 02624 159.899 105.478 91.389 1.00737.35 C ATOM 55278 O4* G 02624 161.316 105.303 91.126 1.00737.35 O ATOM 55279 C3* G 02624 159.236 105.318 90.028 1.00737.35 C ATOM 55280 O3* G 02624 157.996 106.021 89.988 1.00737.35 O ATOM 55281 C2* G 02624 160.263 105.939 89.088 1.00737.35 C ATOM 55282 O2* G 02624 160.188 107.349 89.035 1.00737.35 O ATOM 55283 C1* G 02624 161.578 105.517 89.749 1.00737.35 C ATOM 55284 N9 G 02624 162.151 104.295 89.191 1.00737.35 N ATOM 55285 C8 G 02624 161.911 103.002 89.596 1.00737.35 C ATOM 55286 N7 G 02624 162.574 102.116 88.902 1.00737.35 N ATOM 55287 C5 G 02624 163.296 102.867 87.984 1.00737.35 C ATOM 55288 C6 G 02624 164.195 102.457 86.966 1.00737.35 C ATOM 55289 O6 G 02624 164.548 101.310 86.662 1.00737.35 O ATOM 55290 N1 G 02624 164.703 103.545 86.266 1.00737.35 N ATOM 55291 C2 G 02624 164.389 104.859 86.508 1.00737.35 C ATOM 55292 N2 G 02624 164.986 105.764 85.720 1.00737.35 N ATOM 55293 N3 G 02624 163.553 105.256 87.451 1.00737.35 N ATOM 55294 C4 G 02624 163.046 104.214 88.149 1.00737.35 C ATOM 55295 P U 02625 156.851 105.564 88.956 1.00737.35 P ATOM 55296 O1P U 02625 157.511 105.268 87.659 1.00737.35 O ATOM 55297 O2P U 02625 155.761 106.571 89.011 1.00737.35 O ATOM 55298 O5* U 02625 156.295 104.201 89.568 1.00737.35 O ATOM 55299 C5* U 02625 155.942 103.109 88.720 1.00737.35 C ATOM 55300 C4* U 02625 154.543 102.624 89.034 1.00737.35 C ATOM 55301 O4* U 02625 154.499 102.108 90.391 1.00737.35 O ATOM 55302 C3* U 02625 153.448 103.677 89.002 1.00737.35 C ATOM 55303 O3* U 02625 152.985 103.900 87.672 1.00737.35 O ATOM 55304 C2* U 02625 152.373 103.043 89.879 1.00737.35 C ATOM 55305 O2* U 02625 151.596 102.078 89.197 1.00737.35 O ATOM 55306 C1* U 02625 153.220 102.360 90.955 1.00737.35 C ATOM 55307 N1 U 02625 153.389 103.176 92.169 1.00737.35 N ATOM 55308 C2 U 02625 152.417 103.074 93.157 1.00737.35 C ATOM 55309 O2 U 02625 151.446 102.339 93.067 1.00737.35 O ATOM 55310 N3 U 02625 152.628 103.866 94.259 1.00737.35 N ATOM 55311 C4 U 02625 153.683 104.730 94.474 1.00737.35 C ATOM 55312 O4 U 02625 153.729 105.380 95.518 1.00737.35 O ATOM 55313 C5 U 02625 154.643 104.778 93.414 1.00737.35 C ATOM 55314 C6 U 02625 154.468 104.019 92.327 1.00737.35 C ATOM 55315 P U 02626 152.354 105.327 87.275 1.00737.35 P ATOM 55316 O1P U 02626 152.045 105.285 85.823 1.00737.35 O ATOM 55317 O2P U 02626 153.234 106.398 87.807 1.00737.35 O ATOM 55318 O5* U 02626 150.975 105.376 88.072 1.00737.35 O ATOM 55319 C5* U 02626 149.960 104.400 87.842 1.00737.35 C ATOM 55320 C4* U 02626 148.939 104.429 88.955 1.00737.35 C ATOM 55321 O4* U 02626 149.601 104.154 90.217 1.00737.35 O ATOM 55322 C3* U 02626 148.232 105.758 89.182 1.00737.35 C ATOM 55323 O3* U 02626 147.122 105.892 88.296 1.00737.35 O ATOM 55324 C2* U 02626 147.801 105.644 90.640 1.00737.35 C ATOM 55325 O2* U 02626 146.629 104.874 90.814 1.00737.35 O ATOM 55326 C1* U 02626 148.993 104.909 91.254 1.00737.35 C ATOM 55327 N1 U 02626 150.005 105.807 91.840 1.00737.35 N ATOM 55328 C2 U 02626 149.850 106.175 93.169 1.00737.35 C ATOM 55329 O2 U 02626 148.926 105.790 93.866 1.00737.35 O ATOM 55330 N3 U 02626 150.824 107.015 93.653 1.00737.35 N ATOM 55331 C4 U 02626 151.912 107.514 92.964 1.00737.35 C ATOM 55332 O4 U 02626 152.701 108.262 93.542 1.00737.35 O ATOM 55333 C5 U 02626 152.000 107.091 91.602 1.00737.35 C ATOM 55334 C6 U 02626 151.070 106.273 91.098 1.00737.35 C ATOM 55335 P G 02627 146.344 107.299 88.189 1.00737.35 P ATOM 55336 O1P G 02627 145.712 107.348 86.845 1.00737.35 O ATOM 55337 O2P G 02627 147.256 108.394 88.609 1.00737.35 O ATOM 55338 O5* G 02627 145.183 107.173 89.272 1.00737.35 O ATOM 55339 C5* G 02627 144.277 106.071 89.248 1.00737.35 C ATOM 55340 C4* G 02627 143.395 106.081 90.475 1.00737.35 C ATOM 55341 O4* G 02627 144.228 105.997 91.664 1.00737.35 O ATOM 55342 C3* G 02627 142.564 107.337 90.691 1.00737.35 C ATOM 55343 O3* G 02627 141.352 107.273 89.945 1.00737.35 O ATOM 55344 C2* G 02627 142.311 107.299 92.194 1.00737.35 C ATOM 55345 O2* G 02627 141.258 106.428 92.560 1.00737.35 O ATOM 55346 C1* G 02627 143.640 106.750 92.714 1.00737.35 C ATOM 55347 N9 G 02627 144.579 107.793 93.122 1.00737.35 N ATOM 55348 C8 G 02627 145.533 108.406 92.345 1.00737.35 C ATOM 55349 N7 G 02627 146.222 109.307 92.993 1.00737.35 N ATOM 55350 C5 G 02627 145.691 109.288 94.276 1.00737.35 C ATOM 55351 C6 G 02627 146.033 110.052 95.422 1.00737.35 C ATOM 55352 O6 G 02627 146.901 110.923 95.538 1.00737.35 O ATOM 55353 N1 G 02627 145.242 109.712 96.514 1.00737.35 N ATOM 55354 C2 G 02627 144.250 108.762 96.510 1.00737.35 C ATOM 55355 N2 G 02627 143.597 108.580 97.668 1.00737.35 N ATOM 55356 N3 G 02627 143.920 108.046 95.447 1.00737.35 N ATOM 55357 C4 G 02627 144.677 108.358 94.372 1.00737.35 C ATOM 55358 P C 02628 140.594 108.631 89.535 1.00737.35 P ATOM 55359 O1P C 02628 139.419 108.246 88.710 1.00737.35 O ATOM 55360 O2P C 02628 141.594 109.582 88.987 1.00737.35 O ATOM 55361 O5* C 02628 140.062 109.210 90.921 1.00737.35 O ATOM 55362 C5* C 02628 139.104 108.491 91.696 1.00737.35 C ATOM 55363 C4* C 02628 138.947 109.128 93.059 1.00737.35 C ATOM 55364 O4* C 02628 140.208 109.053 93.773 1.00737.35 O ATOM 55365 C3* C 02628 138.601 110.609 93.056 1.00737.35 C ATOM 55366 O3* C 02628 137.195 110.801 92.921 1.00737.35 O ATOM 55367 C2* C 02628 139.116 111.065 94.416 1.00737.35 C ATOM 55368 O2* C 02628 138.226 110.769 95.475 1.00737.35 O ATOM 55369 C1* C 02628 140.387 110.223 94.557 1.00737.35 C ATOM 55370 N1 C 02628 141.613 110.915 94.101 1.00737.35 N ATOM 55371 C2 C 02628 142.298 111.750 95.001 1.00737.35 C ATOM 55372 O2 C 02628 141.859 111.890 96.156 1.00737.35 O ATOM 55373 N3 C 02628 143.422 112.380 94.589 1.00737.35 N ATOM 55374 C4 C 02628 143.866 112.211 93.343 1.00737.35 C ATOM 55375 N4 C 02628 144.978 112.853 92.982 1.00737.35 N ATOM 55376 C5 C 02628 143.190 111.373 92.409 1.00737.35 C ATOM 55377 C6 C 02628 142.079 110.752 92.825 1.00737.35 C ATOM 55378 P U 02629 136.633 112.162 92.273 1.00737.35 P ATOM 55379 O1P U 02629 135.159 112.018 92.158 1.00737.35 O ATOM 55380 O2P U 02629 137.435 112.478 91.064 1.00737.35 O ATOM 55381 O5* U 02629 136.943 113.267 93.380 1.00737.35 O ATOM 55382 C5* U 02629 136.298 113.230 94.653 1.00737.35 C ATOM 55383 C4* U 02629 136.915 114.244 95.588 1.00737.35 C ATOM 55384 O4* U 02629 138.306 113.894 95.825 1.00737.35 O ATOM 55385 C3* U 02629 136.976 115.673 95.070 1.00737.35 C ATOM 55386 O3* U 02629 135.745 116.352 95.296 1.00737.35 O ATOM 55387 C2* U 02629 138.117 116.263 95.887 1.00737.35 C ATOM 55388 O2* U 02629 137.727 116.646 97.191 1.00737.35 O ATOM 55389 C1* U 02629 139.080 115.076 95.963 1.00737.35 C ATOM 55390 N1 U 02629 140.113 115.090 94.912 1.00737.35 N ATOM 55391 C2 U 02629 141.265 115.830 95.146 1.00737.35 C ATOM 55392 O2 U 02629 141.456 116.460 96.175 1.00737.35 O ATOM 55393 N3 U 02629 142.185 115.805 94.128 1.00737.35 N ATOM 55394 C4 U 02629 142.081 115.134 92.927 1.00737.35 C ATOM 55395 O4 U 02629 143.001 115.211 92.110 1.00737.35 O ATOM 55396 C5 U 02629 140.868 114.397 92.758 1.00737.35 C ATOM 55397 C6 U 02629 139.950 114.399 93.729 1.00737.35 C ATOM 55398 P C 02630 135.360 117.628 94.394 1.00737.35 P ATOM 55399 O1P C 02630 133.984 118.036 94.773 1.00737.35 O ATOM 55400 O2P C 02630 135.667 117.314 92.975 1.00737.35 O ATOM 55401 O5* C 02630 136.371 118.760 94.884 1.00737.35 O ATOM 55402 C5* C 02630 136.274 119.307 96.197 1.00737.35 C ATOM 55403 C4* C 02630 137.325 120.375 96.404 1.00737.35 C ATOM 55404 O4* C 02630 138.645 119.774 96.361 1.00737.35 O ATOM 55405 C3* C 02630 137.382 121.468 95.348 1.00737.35 C ATOM 55406 O3* C 02630 136.413 122.479 95.602 1.00737.35 O ATOM 55407 C2* C 02630 138.805 121.991 95.502 1.00737.35 C ATOM 55408 O2* C 02630 138.951 122.902 96.573 1.00737.35 O ATOM 55409 C1* C 02630 139.570 120.700 95.810 1.00737.35 C ATOM 55410 N1 C 02630 140.213 120.093 94.627 1.00737.35 N ATOM 55411 C2 C 02630 141.479 120.559 94.226 1.00737.35 C ATOM 55412 O2 C 02630 142.021 121.469 94.876 1.00737.35 O ATOM 55413 N3 C 02630 142.073 120.010 93.144 1.00737.35 N ATOM 55414 C4 C 02630 141.460 119.037 92.466 1.00737.35 C ATOM 55415 N4 C 02630 142.089 118.527 91.405 1.00737.35 N ATOM 55416 C5 C 02630 140.177 118.544 92.847 1.00737.35 C ATOM 55417 C6 C 02630 139.597 119.094 93.922 1.00737.35 C ATOM 55418 P C 02631 135.793 123.315 94.378 1.00737.35 P ATOM 55419 O1P C 02631 134.742 124.202 94.938 1.00737.35 O ATOM 55420 O2P C 02631 135.443 122.365 93.289 1.00737.35 O ATOM 55421 O5* C 02631 137.006 124.219 93.878 1.00737.35 O ATOM 55422 C5* C 02631 137.385 125.396 94.589 1.00737.35 C ATOM 55423 C4* C 02631 138.410 126.180 93.800 1.00737.35 C ATOM 55424 O4* C 02631 139.656 125.440 93.741 1.00737.35 O ATOM 55425 C3* C 02631 138.064 126.445 92.342 1.00737.35 C ATOM 55426 O3* C 02631 137.210 127.576 92.217 1.00737.35 O ATOM 55427 C2* C 02631 139.437 126.688 91.725 1.00737.35 C ATOM 55428 O2* C 02631 139.914 128.003 91.932 1.00737.35 O ATOM 55429 C1* C 02631 140.304 125.695 92.504 1.00737.35 C ATOM 55430 N1 C 02631 140.517 124.410 91.803 1.00737.35 N ATOM 55431 C2 C 02631 141.572 124.310 90.879 1.00737.35 C ATOM 55432 O2 C 02631 142.296 125.300 90.672 1.00737.35 O ATOM 55433 N3 C 02631 141.773 123.139 90.233 1.00737.35 N ATOM 55434 C4 C 02631 140.976 122.097 90.475 1.00737.35 C ATOM 55435 N4 C 02631 141.214 120.962 89.814 1.00737.35 N ATOM 55436 C5 C 02631 139.898 122.169 91.407 1.00737.35 C ATOM 55437 C6 C 02631 139.707 123.333 92.041 1.00737.35 C ATOM 55438 P U 02632 135.988 127.538 91.171 1.00737.35 P ATOM 55439 O1P U 02632 135.173 128.760 91.402 1.00737.35 O ATOM 55440 O2P U 02632 135.342 126.203 91.252 1.00737.35 O ATOM 55441 O5* U 02632 136.693 127.664 89.749 1.00737.35 O ATOM 55442 C5* U 02632 137.247 128.905 89.313 1.00737.35 C ATOM 55443 C4* U 02632 137.954 128.731 87.988 1.00737.35 C ATOM 55444 O4* U 02632 139.084 127.835 88.157 1.00737.35 O ATOM 55445 C3* U 02632 137.140 128.094 86.872 1.00737.35 C ATOM 55446 O3* U 02632 136.324 129.064 86.217 1.00737.35 O ATOM 55447 C2* U 02632 138.225 127.537 85.960 1.00737.35 C ATOM 55448 O2* U 02632 138.796 128.515 85.113 1.00737.35 O ATOM 55449 C1* U 02632 139.264 127.063 86.981 1.00737.35 C ATOM 55450 N1 U 02632 139.133 125.637 87.327 1.00737.35 N ATOM 55451 C2 U 02632 139.887 124.723 86.607 1.00737.35 C ATOM 55452 O2 U 02632 140.656 125.045 85.713 1.00737.35 O ATOM 55453 N3 U 02632 139.711 123.409 86.972 1.00737.35 N ATOM 55454 C4 U 02632 138.877 122.925 87.958 1.00737.35 C ATOM 55455 O4 U 02632 138.821 121.712 88.162 1.00737.35 O ATOM 55456 C5 U 02632 138.135 123.929 88.659 1.00737.35 C ATOM 55457 C6 U 02632 138.285 125.215 88.331 1.00737.35 C ATOM 55458 P A 02633 135.057 128.591 85.342 1.00737.35 P ATOM 55459 O1P A 02633 135.558 128.333 83.969 1.00737.35 O ATOM 55460 O2P A 02633 133.962 129.570 85.553 1.00737.35 O ATOM 55461 O5* A 02633 134.629 127.194 85.984 1.00737.35 O ATOM 55462 C5* A 02633 133.257 126.802 86.068 1.00737.35 C ATOM 55463 C4* A 02633 133.153 125.367 86.539 1.00737.35 C ATOM 55464 O4* A 02633 133.644 124.495 85.493 1.00737.35 O ATOM 55465 C3* A 02633 133.988 125.017 87.765 1.00737.35 C ATOM 55466 O3* A 02633 133.278 125.251 88.984 1.00737.35 O ATOM 55467 C2* A 02633 134.213 123.515 87.595 1.00737.35 C ATOM 55468 O2* A 02633 133.147 122.735 88.102 1.00737.35 O ATOM 55469 C1* A 02633 134.270 123.366 86.072 1.00737.35 C ATOM 55470 N9 A 02633 135.617 123.244 85.515 1.00737.35 N ATOM 55471 C8 A 02633 136.496 124.243 85.178 1.00737.35 C ATOM 55472 N7 A 02633 137.629 123.806 84.681 1.00737.35 N ATOM 55473 C5 A 02633 137.490 122.425 84.697 1.00737.35 C ATOM 55474 C6 A 02633 138.345 121.382 84.298 1.00737.35 C ATOM 55475 N6 A 02633 139.557 121.580 83.779 1.00737.35 N ATOM 55476 N1 A 02633 137.902 120.116 84.451 1.00737.35 N ATOM 55477 C2 A 02633 136.683 119.921 84.967 1.00737.35 C ATOM 55478 N3 A 02633 135.787 120.816 85.376 1.00737.35 N ATOM 55479 C4 A 02633 136.259 122.065 85.212 1.00737.35 C ATOM 55480 P G 02634 132.795 126.738 89.375 1.00737.35 P ATOM 55481 O1P G 02634 133.682 127.728 88.711 1.00737.35 O ATOM 55482 O2P G 02634 132.627 126.784 90.850 1.00737.35 O ATOM 55483 O5* G 02634 131.344 126.828 88.717 1.00737.35 O ATOM 55484 C5* G 02634 130.332 125.886 89.073 1.00737.35 C ATOM 55485 C4* G 02634 130.243 124.794 88.031 1.00737.35 C ATOM 55486 O4* G 02634 129.632 123.616 88.612 1.00737.35 O ATOM 55487 C3* G 02634 129.401 125.085 86.798 1.00737.35 C ATOM 55488 O3* G 02634 130.127 125.829 85.824 1.00737.35 O ATOM 55489 C2* G 02634 129.073 123.682 86.294 1.00737.35 C ATOM 55490 O2* G 02634 130.108 123.117 85.515 1.00737.35 O ATOM 55491 C1* G 02634 128.932 122.902 87.607 1.00737.35 C ATOM 55492 N9 G 02634 127.552 122.714 88.045 1.00737.35 N ATOM 55493 C8 G 02634 126.703 123.664 88.562 1.00737.35 C ATOM 55494 N7 G 02634 125.525 123.189 88.862 1.00737.35 N ATOM 55495 C5 G 02634 125.597 121.845 88.523 1.00737.35 C ATOM 55496 C6 G 02634 124.624 120.815 88.625 1.00737.35 C ATOM 55497 O6 G 02634 123.463 120.892 89.046 1.00737.35 O ATOM 55498 N1 G 02634 125.118 119.598 88.168 1.00737.35 N ATOM 55499 C2 G 02634 126.384 119.393 87.679 1.00737.35 C ATOM 55500 N2 G 02634 126.670 118.143 87.290 1.00737.35 N ATOM 55501 N3 G 02634 127.299 120.343 87.579 1.00737.35 N ATOM 55502 C4 G 02634 126.842 121.536 88.017 1.00737.35 C ATOM 55503 P U 02635 129.329 126.699 84.731 1.00737.35 P ATOM 55504 O1P U 02635 128.899 127.957 85.397 1.00737.35 O ATOM 55505 O2P U 02635 128.310 125.827 84.093 1.00737.35 O ATOM 55506 O5* U 02635 130.431 127.048 83.633 1.00737.35 O ATOM 55507 C5* U 02635 131.023 128.345 83.561 1.00737.35 C ATOM 55508 C4* U 02635 132.176 128.344 82.584 1.00737.35 C ATOM 55509 O4* U 02635 133.193 127.422 83.051 1.00737.35 O ATOM 55510 C3* U 02635 131.859 127.869 81.174 1.00737.35 C ATOM 55511 O3* U 02635 131.327 128.926 80.381 1.00737.35 O ATOM 55512 C2* U 02635 133.225 127.416 80.672 1.00737.35 C ATOM 55513 O2* U 02635 134.036 128.486 80.224 1.00737.35 O ATOM 55514 C1* U 02635 133.828 126.806 81.940 1.00737.35 C ATOM 55515 N1 U 02635 133.646 125.348 82.039 1.00737.35 N ATOM 55516 C2 U 02635 134.653 124.535 81.540 1.00737.35 C ATOM 55517 O2 U 02635 135.675 124.972 81.029 1.00737.35 O ATOM 55518 N3 U 02635 134.422 123.186 81.659 1.00737.35 N ATOM 55519 C4 U 02635 133.314 122.578 82.213 1.00737.35 C ATOM 55520 O4 U 02635 133.254 121.348 82.249 1.00737.35 O ATOM 55521 C5 U 02635 132.320 123.481 82.704 1.00737.35 C ATOM 55522 C6 U 02635 132.514 124.801 82.604 1.00737.35 C ATOM 55523 P A 02636 130.430 128.584 79.091 1.00737.35 P ATOM 55524 O1P A 02636 129.990 129.876 78.503 1.00737.35 O ATOM 55525 O2P A 02636 129.415 127.573 79.479 1.00737.35 O ATOM 55526 O5* A 02636 131.455 127.898 78.081 1.00737.35 O ATOM 55527 C5* A 02636 132.498 128.653 77.466 1.00737.35 C ATOM 55528 C4* A 02636 133.390 127.750 76.643 1.00737.35 C ATOM 55529 O4* A 02636 134.059 126.804 77.517 1.00737.35 O ATOM 55530 C3* A 02636 132.682 126.878 75.617 1.00737.35 C ATOM 55531 O3* A 02636 132.461 127.594 74.404 1.00737.35 O ATOM 55532 C2* A 02636 133.673 125.736 75.426 1.00737.35 C ATOM 55533 O2* A 02636 134.725 126.056 74.537 1.00737.35 O ATOM 55534 C1* A 02636 134.226 125.568 76.842 1.00737.35 C ATOM 55535 N9 A 02636 133.555 124.519 77.614 1.00737.35 N ATOM 55536 C8 A 02636 132.512 124.648 78.499 1.00737.35 C ATOM 55537 N7 A 02636 132.128 123.516 79.037 1.00737.35 N ATOM 55538 C5 A 02636 132.974 122.575 78.467 1.00737.35 C ATOM 55539 C6 A 02636 133.081 121.181 78.626 1.00737.35 C ATOM 55540 N6 A 02636 132.297 120.466 79.434 1.00737.35 N ATOM 55541 N1 A 02636 134.030 120.540 77.910 1.00737.35 N ATOM 55542 C2 A 02636 134.816 121.257 77.098 1.00737.35 C ATOM 55543 N3 A 02636 134.814 122.568 76.865 1.00737.35 N ATOM 55544 C4 A 02636 133.858 123.177 77.590 1.00737.35 C ATOM 55545 P C 02637 131.028 127.512 73.680 1.00737.35 P ATOM 55546 O1P C 02637 131.162 128.177 72.359 1.00737.35 O ATOM 55547 O2P C 02637 129.995 127.986 74.636 1.00737.35 O ATOM 55548 O5* C 02637 130.804 125.952 73.436 1.00737.35 O ATOM 55549 C5* C 02637 131.615 125.229 72.515 1.00737.35 C ATOM 55550 C4* C 02637 131.361 123.744 72.646 1.00737.35 C ATOM 55551 O4* C 02637 131.759 123.307 73.971 1.00737.35 O ATOM 55552 C3* C 02637 129.908 123.311 72.526 1.00737.35 C ATOM 55553 O3* C 02637 129.533 123.141 71.164 1.00737.35 O ATOM 55554 C2* C 02637 129.898 121.992 73.289 1.00737.35 C ATOM 55555 O2* C 02637 130.377 120.906 72.524 1.00737.35 O ATOM 55556 C1* C 02637 130.876 122.294 74.429 1.00737.35 C ATOM 55557 N1 C 02637 130.219 122.760 75.665 1.00737.35 N ATOM 55558 C2 C 02637 129.816 121.813 76.621 1.00737.35 C ATOM 55559 O2 C 02637 130.026 120.606 76.406 1.00737.35 O ATOM 55560 N3 C 02637 129.211 122.236 77.755 1.00737.35 N ATOM 55561 C4 C 02637 129.001 123.537 77.956 1.00737.35 C ATOM 55562 N4 C 02637 128.401 123.908 79.089 1.00737.35 N ATOM 55563 C5 C 02637 129.397 124.522 77.002 1.00737.35 C ATOM 55564 C6 C 02637 129.996 124.094 75.885 1.00737.35 C ATOM 55565 P G 02638 128.077 123.608 70.671 1.00737.35 P ATOM 55566 O1P G 02638 127.980 123.297 69.222 1.00737.35 O ATOM 55567 O2P G 02638 127.844 125.000 71.137 1.00737.35 O ATOM 55568 O5* G 02638 127.075 122.649 71.458 1.00737.35 O ATOM 55569 C5* G 02638 126.926 121.279 71.087 1.00737.35 C ATOM 55570 C4* G 02638 125.941 120.589 72.004 1.00737.35 C ATOM 55571 O4* G 02638 126.471 120.569 73.355 1.00737.35 O ATOM 55572 C3* G 02638 124.584 121.259 72.146 1.00737.35 C ATOM 55573 O3* G 02638 123.708 120.888 71.085 1.00737.35 O ATOM 55574 C2* G 02638 124.102 120.729 73.490 1.00737.35 C ATOM 55575 O2* G 02638 123.549 119.429 73.411 1.00737.35 O ATOM 55576 C1* G 02638 125.408 120.688 74.288 1.00737.35 C ATOM 55577 N9 G 02638 125.630 121.883 75.097 1.00737.35 N ATOM 55578 C8 G 02638 126.315 123.019 74.736 1.00737.35 C ATOM 55579 N7 G 02638 126.341 123.923 75.673 1.00737.35 N ATOM 55580 C5 G 02638 125.630 123.353 76.723 1.00737.35 C ATOM 55581 C6 G 02638 125.324 123.862 78.010 1.00737.35 C ATOM 55582 O6 G 02638 125.626 124.959 78.498 1.00737.35 O ATOM 55583 N1 G 02638 124.583 122.953 78.756 1.00737.35 N ATOM 55584 C2 G 02638 124.187 121.711 78.322 1.00737.35 C ATOM 55585 N2 G 02638 123.476 120.980 79.193 1.00737.35 N ATOM 55586 N3 G 02638 124.467 121.224 77.126 1.00737.35 N ATOM 55587 C4 G 02638 125.186 122.091 76.383 1.00737.35 C ATOM 55588 P A 02639 122.587 121.922 70.577 1.00737.35 P ATOM 55589 O1P A 02639 121.833 121.254 69.488 1.00737.35 O ATOM 55590 O2P A 02639 123.237 123.234 70.322 1.00737.35 O ATOM 55591 O5* A 02639 121.611 122.078 71.828 1.00737.35 O ATOM 55592 C5* A 02639 120.670 123.146 71.898 1.00737.35 C ATOM 55593 C4* A 02639 119.451 122.722 72.686 1.00737.35 C ATOM 55594 O4* A 02639 118.789 121.632 71.991 1.00737.35 O ATOM 55595 C3* A 02639 119.718 122.177 74.081 1.00737.35 C ATOM 55596 O3* A 02639 119.819 123.233 75.032 1.00737.35 O ATOM 55597 C2* A 02639 118.488 121.310 74.329 1.00737.35 C ATOM 55598 O2* A 02639 117.357 122.051 74.745 1.00737.35 O ATOM 55599 C1* A 02639 118.240 120.727 72.935 1.00737.35 C ATOM 55600 N9 A 02639 118.855 119.413 72.731 1.00737.35 N ATOM 55601 C8 A 02639 120.142 119.132 72.337 1.00737.35 C ATOM 55602 N7 A 02639 120.398 117.851 72.244 1.00737.35 N ATOM 55603 C5 A 02639 119.200 117.246 72.598 1.00737.35 C ATOM 55604 C6 A 02639 118.815 115.896 72.696 1.00737.35 C ATOM 55605 N6 A 02639 119.632 114.873 72.436 1.00737.35 N ATOM 55606 N1 A 02639 117.547 115.632 73.078 1.00737.35 N ATOM 55607 C2 A 02639 116.730 116.659 73.340 1.00737.35 C ATOM 55608 N3 A 02639 116.972 117.965 73.283 1.00737.35 N ATOM 55609 C4 A 02639 118.241 118.194 72.901 1.00737.35 C ATOM 55610 P G 02640 120.768 123.062 76.320 1.00737.35 P ATOM 55611 O1P G 02640 120.651 124.306 77.124 1.00737.35 O ATOM 55612 O2P G 02640 122.106 122.613 75.857 1.00737.35 O ATOM 55613 O5* G 02640 120.102 121.872 77.143 1.00737.35 O ATOM 55614 C5* G 02640 118.790 121.998 77.688 1.00737.35 C ATOM 55615 C4* G 02640 118.273 120.651 78.139 1.00737.35 C ATOM 55616 O4* G 02640 118.225 119.756 76.996 1.00737.35 O ATOM 55617 C3* G 02640 119.132 119.918 79.159 1.00737.35 C ATOM 55618 O3* G 02640 118.820 120.337 80.485 1.00737.35 O ATOM 55619 C2* G 02640 118.744 118.462 78.920 1.00737.35 C ATOM 55620 O2* G 02640 117.534 118.099 79.550 1.00737.35 O ATOM 55621 C1* G 02640 118.565 118.440 77.400 1.00737.35 C ATOM 55622 N9 G 02640 119.766 118.031 76.676 1.00737.35 N ATOM 55623 C8 G 02640 120.811 118.830 76.278 1.00737.35 C ATOM 55624 N7 G 02640 121.748 118.174 75.647 1.00737.35 N ATOM 55625 C5 G 02640 121.296 116.862 75.628 1.00737.35 C ATOM 55626 C6 G 02640 121.887 115.693 75.081 1.00737.35 C ATOM 55627 O6 G 02640 122.964 115.582 74.482 1.00737.35 O ATOM 55628 N1 G 02640 121.089 114.574 75.285 1.00737.35 N ATOM 55629 C2 G 02640 119.878 114.572 75.931 1.00737.35 C ATOM 55630 N2 G 02640 119.259 113.386 76.028 1.00737.35 N ATOM 55631 N3 G 02640 119.315 115.653 76.447 1.00737.35 N ATOM 55632 C4 G 02640 120.075 116.757 76.259 1.00737.35 C ATOM 55633 P A 02641 119.952 120.295 81.628 1.00737.35 P ATOM 55634 O1P A 02641 119.334 120.807 82.877 1.00737.35 O ATOM 55635 O2P A 02641 121.178 120.943 81.097 1.00737.35 O ATOM 55636 O5* A 02641 120.255 118.741 81.819 1.00737.35 O ATOM 55637 C5* A 02641 119.253 117.851 82.309 1.00737.35 C ATOM 55638 C4* A 02641 119.658 116.417 82.059 1.00737.35 C ATOM 55639 O4* A 02641 119.815 116.214 80.629 1.00737.35 O ATOM 55640 C3* A 02641 120.994 115.993 82.652 1.00737.35 C ATOM 55641 O3* A 02641 120.847 115.563 84.003 1.00737.35 O ATOM 55642 C2* A 02641 121.398 114.839 81.741 1.00737.35 C ATOM 55643 O2* A 02641 120.750 113.623 82.060 1.00737.35 O ATOM 55644 C1* A 02641 120.909 115.347 80.381 1.00737.35 C ATOM 55645 N9 A 02641 121.934 116.094 79.649 1.00737.35 N ATOM 55646 C8 A 02641 122.159 117.451 79.653 1.00737.35 C ATOM 55647 N7 A 02641 123.159 117.825 78.897 1.00737.35 N ATOM 55648 C5 A 02641 123.628 116.637 78.353 1.00737.35 C ATOM 55649 C6 A 02641 124.681 116.354 77.463 1.00737.35 C ATOM 55650 N6 A 02641 125.483 117.287 76.949 1.00737.35 N ATOM 55651 N1 A 02641 124.882 115.065 77.120 1.00737.35 N ATOM 55652 C2 A 02641 124.078 114.129 77.639 1.00737.35 C ATOM 55653 N3 A 02641 123.057 114.269 78.483 1.00737.35 N ATOM 55654 C4 A 02641 122.881 115.564 78.805 1.00737.35 C ATOM 55655 P G 02642 121.962 115.958 85.094 1.00737.35 P ATOM 55656 O1P G 02642 121.672 115.176 86.323 1.00737.35 O ATOM 55657 O2P G 02642 122.037 117.440 85.169 1.00737.35 O ATOM 55658 O5* G 02642 123.332 115.422 84.475 1.00737.35 O ATOM 55659 C5* G 02642 123.506 114.041 84.165 1.00737.35 C ATOM 55660 C4* G 02642 124.656 113.864 83.199 1.00737.35 C ATOM 55661 O4* G 02642 124.383 114.634 81.995 1.00737.35 O ATOM 55662 C3* G 02642 126.008 114.374 83.673 1.00737.35 C ATOM 55663 O3* G 02642 126.684 113.387 84.449 1.00737.35 O ATOM 55664 C2* G 02642 126.726 114.651 82.360 1.00737.35 C ATOM 55665 O2* G 02642 127.259 113.487 81.759 1.00737.35 O ATOM 55666 C1* G 02642 125.584 115.200 81.501 1.00737.35 C ATOM 55667 N9 G 02642 125.470 116.656 81.557 1.00737.35 N ATOM 55668 C8 G 02642 124.632 117.395 82.359 1.00737.35 C ATOM 55669 N7 G 02642 124.760 118.682 82.188 1.00737.35 N ATOM 55670 C5 G 02642 125.741 118.804 81.214 1.00737.35 C ATOM 55671 C6 G 02642 126.304 119.962 80.617 1.00737.35 C ATOM 55672 O6 G 02642 126.042 121.151 80.837 1.00737.35 O ATOM 55673 N1 G 02642 127.270 119.631 79.673 1.00737.35 N ATOM 55674 C2 G 02642 127.649 118.353 79.343 1.00737.35 C ATOM 55675 N2 G 02642 128.600 118.240 78.404 1.00737.35 N ATOM 55676 N3 G 02642 127.131 117.266 79.892 1.00737.35 N ATOM 55677 C4 G 02642 126.189 117.564 80.813 1.00737.35 C ATOM 55678 P G 02643 127.758 113.837 85.557 1.00737.35 P ATOM 55679 O1P G 02643 128.268 112.600 86.206 1.00737.35 O ATOM 55680 O2P G 02643 127.151 114.904 86.395 1.00737.35 O ATOM 55681 O5* G 02643 128.947 114.482 84.713 1.00737.35 O ATOM 55682 C5* G 02643 129.644 113.723 83.727 1.00737.35 C ATOM 55683 C4* G 02643 130.461 114.634 82.840 1.00737.35 C ATOM 55684 O4* G 02643 129.577 115.592 82.201 1.00737.35 O ATOM 55685 C3* G 02643 131.506 115.489 83.544 1.00737.35 C ATOM 55686 O3* G 02643 132.716 114.755 83.712 1.00737.35 O ATOM 55687 C2* G 02643 131.661 116.663 82.586 1.00737.35 C ATOM 55688 O2* G 02643 132.503 116.375 81.486 1.00737.35 O ATOM 55689 C1* G 02643 130.222 116.852 82.100 1.00737.35 C ATOM 55690 N9 G 02643 129.465 117.823 82.886 1.00737.35 N ATOM 55691 C8 G 02643 128.735 117.579 84.027 1.00737.35 C ATOM 55692 N7 G 02643 128.162 118.648 84.506 1.00737.35 N ATOM 55693 C5 G 02643 128.533 119.660 83.632 1.00737.35 C ATOM 55694 C6 G 02643 128.214 121.042 83.639 1.00737.35 C ATOM 55695 O6 G 02643 127.515 121.668 84.445 1.00737.35 O ATOM 55696 N1 G 02643 128.801 121.709 82.568 1.00737.35 N ATOM 55697 C2 G 02643 129.593 121.121 81.613 1.00737.35 C ATOM 55698 N2 G 02643 130.066 121.934 80.658 1.00737.35 N ATOM 55699 N3 G 02643 129.897 119.834 81.593 1.00737.35 N ATOM 55700 C4 G 02643 129.338 119.168 82.625 1.00737.35 C ATOM 55701 P A 02644 133.947 115.406 84.520 1.00737.35 P ATOM 55702 O1P A 02644 134.865 114.295 84.877 1.00737.35 O ATOM 55703 O2P A 02644 133.410 116.286 85.593 1.00737.35 O ATOM 55704 O5* A 02644 134.668 116.322 83.434 1.00737.35 O ATOM 55705 C5* A 02644 136.036 116.698 83.580 1.00737.35 C ATOM 55706 C4* A 02644 136.769 116.506 82.273 1.00737.35 C ATOM 55707 O4* A 02644 136.139 117.313 81.243 1.00737.35 O ATOM 55708 C3* A 02644 138.222 116.954 82.257 1.00737.35 C ATOM 55709 O3* A 02644 139.071 115.935 82.779 1.00737.35 O ATOM 55710 C2* A 02644 138.468 117.196 80.773 1.00737.35 C ATOM 55711 O2* A 02644 138.727 116.007 80.050 1.00737.35 O ATOM 55712 C1* A 02644 137.124 117.785 80.337 1.00737.35 C ATOM 55713 N9 A 02644 137.103 119.250 80.347 1.00737.35 N ATOM 55714 C8 A 02644 136.683 120.087 81.355 1.00737.35 C ATOM 55715 N7 A 02644 136.793 121.359 81.062 1.00737.35 N ATOM 55716 C5 A 02644 137.320 121.364 79.779 1.00737.35 C ATOM 55717 C6 A 02644 137.672 122.407 78.905 1.00737.35 C ATOM 55718 N6 A 02644 137.541 123.703 79.205 1.00737.35 N ATOM 55719 N1 A 02644 138.172 122.072 77.695 1.00737.35 N ATOM 55720 C2 A 02644 138.304 120.776 77.395 1.00737.35 C ATOM 55721 N3 A 02644 138.008 119.705 78.130 1.00737.35 N ATOM 55722 C4 A 02644 137.515 120.071 79.326 1.00737.35 C ATOM 55723 P C 02645 140.547 116.313 83.293 1.00737.35 P ATOM 55724 O1P C 02645 141.089 115.120 83.997 1.00737.35 O ATOM 55725 O2P C 02645 140.489 117.617 84.003 1.00737.35 O ATOM 55726 O5* C 02645 141.380 116.516 81.948 1.00737.35 O ATOM 55727 C5* C 02645 141.663 115.413 81.089 1.00737.35 C ATOM 55728 C4* C 02645 142.449 115.875 79.883 1.00737.35 C ATOM 55729 O4* C 02645 141.633 116.777 79.089 1.00737.35 O ATOM 55730 C3* C 02645 143.709 116.674 80.178 1.00737.35 C ATOM 55731 O3* C 02645 144.810 115.810 80.443 1.00737.35 O ATOM 55732 C2* C 02645 143.903 117.461 78.888 1.00737.35 C ATOM 55733 O2* C 02645 144.523 116.708 77.865 1.00737.35 O ATOM 55734 C1* C 02645 142.456 117.770 78.498 1.00737.35 C ATOM 55735 N1 C 02645 141.992 119.100 78.946 1.00737.35 N ATOM 55736 C2 C 02645 142.209 120.211 78.112 1.00737.35 C ATOM 55737 O2 C 02645 142.779 120.049 77.020 1.00737.35 O ATOM 55738 N3 C 02645 141.791 121.434 78.519 1.00737.35 N ATOM 55739 C4 C 02645 141.182 121.571 79.698 1.00737.35 C ATOM 55740 N4 C 02645 140.787 122.794 80.058 1.00737.35 N ATOM 55741 C5 C 02645 140.948 120.462 80.564 1.00737.35 C ATOM 55742 C6 C 02645 141.367 119.257 80.154 1.00737.35 C ATOM 55743 P C 02646 145.786 116.122 81.682 1.00737.35 P ATOM 55744 O1P C 02646 146.940 115.188 81.582 1.00737.35 O ATOM 55745 O2P C 02646 144.972 116.148 82.924 1.00737.35 O ATOM 55746 O5* C 02646 146.314 117.599 81.402 1.00737.35 O ATOM 55747 C5* C 02646 147.156 117.878 80.286 1.00737.35 C ATOM 55748 C4* C 02646 147.477 119.354 80.225 1.00737.35 C ATOM 55749 O4* C 02646 146.252 120.103 80.000 1.00737.35 O ATOM 55750 C3* C 02646 148.053 119.958 81.495 1.00737.35 C ATOM 55751 O3* C 02646 149.459 119.752 81.583 1.00737.35 O ATOM 55752 C2* C 02646 147.704 121.432 81.335 1.00737.35 C ATOM 55753 O2* C 02646 148.588 122.125 80.478 1.00737.35 O ATOM 55754 C1* C 02646 146.316 121.342 80.693 1.00737.35 C ATOM 55755 N1 C 02646 145.220 121.395 81.684 1.00737.35 N ATOM 55756 C2 C 02646 144.734 122.646 82.094 1.00737.35 C ATOM 55757 O2 C 02646 145.224 123.679 81.605 1.00737.35 O ATOM 55758 N3 C 02646 143.743 122.699 83.014 1.00737.35 N ATOM 55759 C4 C 02646 143.239 121.571 83.520 1.00737.35 C ATOM 55760 N4 C 02646 142.269 121.673 84.430 1.00737.35 N ATOM 55761 C5 C 02646 143.708 120.287 83.115 1.00737.35 C ATOM 55762 C6 C 02646 144.688 120.244 82.204 1.00737.35 C ATOM 55763 P G 02647 150.145 119.551 83.023 1.00737.35 P ATOM 55764 O1P G 02647 151.613 119.485 82.809 1.00737.35 O ATOM 55765 O2P G 02647 149.457 118.432 83.719 1.00737.35 O ATOM 55766 O5* G 02647 149.813 120.902 83.800 1.00737.35 O ATOM 55767 C5* G 02647 150.363 122.145 83.372 1.00737.35 C ATOM 55768 C4* G 02647 149.814 123.283 84.204 1.00737.35 C ATOM 55769 O4* G 02647 148.380 123.395 83.998 1.00737.35 O ATOM 55770 C3* G 02647 149.956 123.142 85.711 1.00737.35 C ATOM 55771 O3* G 02647 151.252 123.537 86.147 1.00737.35 O ATOM 55772 C2* G 02647 148.871 124.084 86.223 1.00737.35 C ATOM 55773 O2* G 02647 149.267 125.441 86.223 1.00737.35 O ATOM 55774 C1* G 02647 147.766 123.867 85.187 1.00737.35 C ATOM 55775 N9 G 02647 146.757 122.899 85.613 1.00737.35 N ATOM 55776 C8 G 02647 146.722 121.553 85.337 1.00737.35 C ATOM 55777 N7 G 02647 145.692 120.948 85.866 1.00737.35 N ATOM 55778 C5 G 02647 145.006 121.954 86.532 1.00737.35 C ATOM 55779 C6 G 02647 143.809 121.902 87.297 1.00737.35 C ATOM 55780 O6 G 02647 143.093 120.923 87.546 1.00737.35 O ATOM 55781 N1 G 02647 143.466 123.154 87.794 1.00737.35 N ATOM 55782 C2 G 02647 144.179 124.310 87.585 1.00737.35 C ATOM 55783 N2 G 02647 143.685 125.421 88.150 1.00737.35 N ATOM 55784 N3 G 02647 145.295 124.372 86.879 1.00737.35 N ATOM 55785 C4 G 02647 145.649 123.165 86.384 1.00737.35 C ATOM 55786 P G 02648 151.837 122.966 87.534 1.00737.35 P ATOM 55787 O1P G 02648 153.224 123.478 87.671 1.00737.35 O ATOM 55788 O2P G 02648 151.587 121.502 87.583 1.00737.35 O ATOM 55789 O5* G 02648 150.934 123.661 88.647 1.00737.35 O ATOM 55790 C5* G 02648 151.001 125.070 88.872 1.00737.35 C ATOM 55791 C4* G 02648 149.997 125.487 89.920 1.00737.35 C ATOM 55792 O4* G 02648 148.652 125.241 89.432 1.00737.35 O ATOM 55793 C3* G 02648 150.056 124.731 91.239 1.00737.35 C ATOM 55794 O3* G 02648 151.054 125.271 92.100 1.00737.35 O ATOM 55795 C2* G 02648 148.652 124.941 91.795 1.00737.35 C ATOM 55796 O2* G 02648 148.489 126.191 92.432 1.00737.35 O ATOM 55797 C1* G 02648 147.807 124.894 90.518 1.00737.35 C ATOM 55798 N9 G 02648 147.214 123.586 90.255 1.00737.35 N ATOM 55799 C8 G 02648 147.625 122.651 89.335 1.00737.35 C ATOM 55800 N7 G 02648 146.886 121.574 89.332 1.00737.35 N ATOM 55801 C5 G 02648 145.930 121.809 90.310 1.00737.35 C ATOM 55802 C6 G 02648 144.855 120.995 90.761 1.00737.35 C ATOM 55803 O6 G 02648 144.524 119.869 90.371 1.00737.35 O ATOM 55804 N1 G 02648 144.133 121.620 91.773 1.00737.35 N ATOM 55805 C2 G 02648 144.406 122.865 92.287 1.00737.35 C ATOM 55806 N2 G 02648 143.591 123.294 93.263 1.00737.35 N ATOM 55807 N3 G 02648 145.402 123.632 91.875 1.00737.35 N ATOM 55808 C4 G 02648 146.118 123.045 90.892 1.00737.35 C ATOM 55809 P A 02649 151.720 124.342 93.232 1.00737.35 P ATOM 55810 O1P A 02649 152.650 125.197 94.013 1.00737.35 O ATOM 55811 O2P A 02649 152.227 123.103 92.587 1.00737.35 O ATOM 55812 O5* A 02649 150.493 123.959 94.175 1.00737.35 O ATOM 55813 C5* A 02649 150.593 122.890 95.115 1.00737.35 C ATOM 55814 C4* A 02649 149.316 122.781 95.913 1.00737.35 C ATOM 55815 O4* A 02649 148.192 122.638 95.008 1.00737.35 O ATOM 55816 C3* A 02649 149.217 121.571 96.830 1.00737.35 C ATOM 55817 O3* A 02649 149.857 121.818 98.081 1.00737.35 O ATOM 55818 C2* A 02649 147.711 121.401 96.981 1.00737.35 C ATOM 55819 O2* A 02649 147.144 122.284 97.930 1.00737.35 O ATOM 55820 C1* A 02649 147.224 121.771 95.576 1.00737.35 C ATOM 55821 N9 A 02649 147.058 120.614 94.693 1.00737.35 N ATOM 55822 C8 A 02649 147.888 120.192 93.681 1.00737.35 C ATOM 55823 N7 A 02649 147.466 119.115 93.065 1.00737.35 N ATOM 55824 C5 A 02649 146.279 118.802 93.713 1.00737.35 C ATOM 55825 C6 A 02649 145.346 117.766 93.534 1.00737.35 C ATOM 55826 N6 A 02649 145.467 116.813 92.606 1.00737.35 N ATOM 55827 N1 A 02649 144.271 117.741 94.350 1.00737.35 N ATOM 55828 C2 A 02649 144.149 118.694 95.279 1.00737.35 C ATOM 55829 N3 A 02649 144.956 119.718 95.546 1.00737.35 N ATOM 55830 C4 A 02649 146.017 119.717 94.718 1.00737.35 C ATOM 55831 P G 02650 150.360 120.583 98.978 1.00737.35 P ATOM 55832 O1P G 02650 151.079 121.153 100.147 1.00737.35 O ATOM 55833 O2P G 02650 151.051 119.609 98.095 1.00737.35 O ATOM 55834 O5* G 02650 149.012 119.911 99.500 1.00737.35 O ATOM 55835 C5* G 02650 148.159 120.596 100.418 1.00737.35 C ATOM 55836 C4* G 02650 146.931 119.768 100.715 1.00737.35 C ATOM 55837 O4* G 02650 146.151 119.606 99.502 1.00737.35 O ATOM 55838 C3* G 02650 147.189 118.345 101.190 1.00737.35 C ATOM 55839 O3* G 02650 147.435 118.310 102.593 1.00737.35 O ATOM 55840 C2* G 02650 145.887 117.643 100.821 1.00737.35 C ATOM 55841 O2* G 02650 144.852 117.862 101.762 1.00737.35 O ATOM 55842 C1* G 02650 145.537 118.325 99.498 1.00737.35 C ATOM 55843 N9 G 02650 146.000 117.589 98.324 1.00737.35 N ATOM 55844 C8 G 02650 147.133 117.834 97.581 1.00737.35 C ATOM 55845 N7 G 02650 147.282 117.005 96.584 1.00737.35 N ATOM 55846 C5 G 02650 146.184 116.159 96.671 1.00737.35 C ATOM 55847 C6 G 02650 145.805 115.058 95.859 1.00737.35 C ATOM 55848 O6 G 02650 146.383 114.597 94.867 1.00737.35 O ATOM 55849 N1 G 02650 144.621 114.479 96.304 1.00737.35 N ATOM 55850 C2 G 02650 143.892 114.903 97.387 1.00737.35 C ATOM 55851 N2 G 02650 142.776 114.210 97.656 1.00737.35 N ATOM 55852 N3 G 02650 144.233 115.927 98.153 1.00737.35 N ATOM 55853 C4 G 02650 145.382 116.505 97.740 1.00737.35 C ATOM 55854 P U 02651 148.361 117.149 103.210 1.00737.35 P ATOM 55855 O1P U 02651 148.448 117.387 104.673 1.00737.35 O ATOM 55856 O2P U 02651 149.607 117.062 102.407 1.00737.35 O ATOM 55857 O5* U 02651 147.521 115.816 102.974 1.00737.35 O ATOM 55858 C5* U 02651 146.251 115.628 103.599 1.00737.35 C ATOM 55859 C4* U 02651 145.537 114.441 102.994 1.00737.35 C ATOM 55860 O4* U 02651 145.297 114.692 101.582 1.00737.35 O ATOM 55861 C3* U 02651 146.296 113.123 103.017 1.00737.35 C ATOM 55862 O3* U 02651 146.133 112.463 104.268 1.00737.35 O ATOM 55863 C2* U 02651 145.642 112.358 101.872 1.00737.35 C ATOM 55864 O2* U 02651 144.408 111.768 102.228 1.00737.35 O ATOM 55865 C1* U 02651 145.406 113.479 100.856 1.00737.35 C ATOM 55866 N1 U 02651 146.487 113.614 99.864 1.00737.35 N ATOM 55867 C2 U 02651 146.416 112.833 98.718 1.00737.35 C ATOM 55868 O2 U 02651 145.506 112.050 98.497 1.00737.35 O ATOM 55869 N3 U 02651 147.456 113.006 97.838 1.00737.35 N ATOM 55870 C4 U 02651 148.536 113.856 97.977 1.00737.35 C ATOM 55871 O4 U 02651 149.393 113.897 97.092 1.00737.35 O ATOM 55872 C5 U 02651 148.536 114.626 99.182 1.00737.35 C ATOM 55873 C6 U 02651 147.540 114.483 100.061 1.00737.35 C ATOM 55874 P G 02652 147.157 111.297 104.698 1.00737.35 P ATOM 55875 O1P G 02652 146.928 111.021 106.139 1.00737.35 O ATOM 55876 O2P G 02652 148.521 111.662 104.229 1.00737.35 O ATOM 55877 O5* G 02652 146.667 110.032 103.863 1.00737.35 O ATOM 55878 C5* G 02652 145.375 109.466 104.084 1.00737.35 C ATOM 55879 C4* G 02652 145.086 108.393 103.059 1.00737.35 C ATOM 55880 O4* G 02652 145.073 108.983 101.731 1.00737.35 O ATOM 55881 C3* G 02652 146.110 107.273 102.958 1.00737.35 C ATOM 55882 O3* G 02652 145.869 106.270 103.943 1.00737.35 O ATOM 55883 C2* G 02652 145.880 106.755 101.544 1.00737.35 C ATOM 55884 O2* G 02652 144.773 105.879 101.444 1.00737.35 O ATOM 55885 C1* G 02652 145.584 108.053 100.790 1.00737.35 C ATOM 55886 N9 G 02652 146.765 108.635 100.155 1.00737.35 N ATOM 55887 C8 G 02652 147.590 109.611 100.661 1.00737.35 C ATOM 55888 N7 G 02652 148.571 109.924 99.858 1.00737.35 N ATOM 55889 C5 G 02652 148.384 109.104 98.752 1.00737.35 C ATOM 55890 C6 G 02652 149.138 108.993 97.554 1.00737.35 C ATOM 55891 O6 G 02652 150.151 109.617 97.220 1.00737.35 O ATOM 55892 N1 G 02652 148.597 108.036 96.701 1.00737.35 N ATOM 55893 C2 G 02652 147.477 107.284 96.962 1.00737.35 C ATOM 55894 N2 G 02652 147.114 106.415 96.010 1.00737.35 N ATOM 55895 N3 G 02652 146.767 107.378 98.074 1.00737.35 N ATOM 55896 C4 G 02652 147.273 108.302 98.919 1.00737.35 C ATOM 55897 P A 02653 147.027 105.219 104.311 1.00737.35 P ATOM 55898 O1P A 02653 146.613 104.526 105.557 1.00737.35 O ATOM 55899 O2P A 02653 148.339 105.914 104.264 1.00737.35 O ATOM 55900 O5* A 02653 146.982 104.166 103.115 1.00737.35 O ATOM 55901 C5* A 02653 145.871 103.282 102.961 1.00737.35 C ATOM 55902 C4* A 02653 146.093 102.358 101.786 1.00737.35 C ATOM 55903 O4* A 02653 146.115 103.128 100.556 1.00737.35 O ATOM 55904 C3* A 02653 147.408 101.596 101.777 1.00737.35 C ATOM 55905 O3* A 02653 147.327 100.423 102.578 1.00737.35 O ATOM 55906 C2* A 02653 147.581 101.270 100.297 1.00737.35 C ATOM 55907 O2* A 02653 146.833 100.141 99.887 1.00737.35 O ATOM 55908 C1* A 02653 147.021 102.532 99.638 1.00737.35 C ATOM 55909 N9 A 02653 148.047 103.516 99.291 1.00737.35 N ATOM 55910 C8 A 02653 148.493 104.578 100.039 1.00737.35 C ATOM 55911 N7 A 02653 149.427 105.285 99.453 1.00737.35 N ATOM 55912 C5 A 02653 149.611 104.646 98.233 1.00737.35 C ATOM 55913 C6 A 02653 150.468 104.909 97.148 1.00737.35 C ATOM 55914 N6 A 02653 151.333 105.925 97.117 1.00737.35 N ATOM 55915 N1 A 02653 150.403 104.080 96.083 1.00737.35 N ATOM 55916 C2 A 02653 149.537 103.062 96.117 1.00737.35 C ATOM 55917 N3 A 02653 148.680 102.714 97.076 1.00737.35 N ATOM 55918 C4 A 02653 148.769 103.557 98.120 1.00737.35 C ATOM 55919 P A 02654 148.663 99.807 103.229 1.00737.35 P ATOM 55920 O1P A 02654 148.248 98.684 104.111 1.00737.35 O ATOM 55921 O2P A 02654 149.473 100.918 103.790 1.00737.35 O ATOM 55922 O5* A 02654 149.449 99.199 101.983 1.00737.35 O ATOM 55923 C5* A 02654 148.959 98.047 101.300 1.00737.35 C ATOM 55924 C4* A 02654 149.818 97.744 100.094 1.00737.35 C ATOM 55925 O4* A 02654 149.705 98.827 99.133 1.00737.35 O ATOM 55926 C3* A 02654 151.311 97.630 100.356 1.00737.35 C ATOM 55927 O3* A 02654 151.659 96.328 100.815 1.00737.35 O ATOM 55928 C2* A 02654 151.902 97.930 98.983 1.00737.35 C ATOM 55929 O2* A 02654 151.875 96.817 98.111 1.00737.35 O ATOM 55930 C1* A 02654 150.950 99.013 98.472 1.00737.35 C ATOM 55931 N9 A 02654 151.422 100.373 98.738 1.00737.35 N ATOM 55932 C8 A 02654 151.045 101.221 99.751 1.00737.35 C ATOM 55933 N7 A 02654 151.657 102.380 99.726 1.00737.35 N ATOM 55934 C5 A 02654 152.492 102.292 98.622 1.00737.35 C ATOM 55935 C6 A 02654 153.410 103.193 98.055 1.00737.35 C ATOM 55936 N6 A 02654 153.645 104.414 98.543 1.00737.35 N ATOM 55937 N1 A 02654 154.086 102.794 96.955 1.00737.35 N ATOM 55938 C2 A 02654 153.848 101.571 96.469 1.00737.35 C ATOM 55939 N3 A 02654 153.014 100.634 96.909 1.00737.35 N ATOM 55940 C4 A 02654 152.358 101.062 98.004 1.00737.35 C ATOM 55941 P C 02655 152.892 96.146 101.832 1.00737.35 P ATOM 55942 O1P C 02655 153.062 94.688 102.062 1.00737.35 O ATOM 55943 O2P C 02655 152.682 97.050 102.992 1.00737.35 O ATOM 55944 O5* C 02655 154.152 96.674 101.010 1.00737.35 O ATOM 55945 C5* C 02655 154.607 95.985 99.849 1.00737.35 C ATOM 55946 C4* C 02655 155.732 96.750 99.189 1.00737.35 C ATOM 55947 O4* C 02655 155.237 98.026 98.707 1.00737.35 O ATOM 55948 C3* C 02655 156.902 97.123 100.087 1.00737.35 C ATOM 55949 O3* C 02655 157.816 96.037 100.210 1.00737.35 O ATOM 55950 C2* C 02655 157.517 98.304 99.343 1.00737.35 C ATOM 55951 O2* C 02655 158.360 97.912 98.276 1.00737.35 O ATOM 55952 C1* C 02655 156.269 98.998 98.786 1.00737.35 C ATOM 55953 N1 C 02655 155.800 100.134 99.607 1.00737.35 N ATOM 55954 C2 C 02655 156.375 101.401 99.405 1.00737.35 C ATOM 55955 O2 C 02655 157.268 101.532 98.551 1.00737.35 O ATOM 55956 N3 C 02655 155.946 102.446 100.148 1.00737.35 N ATOM 55957 C4 C 02655 154.990 102.272 101.060 1.00737.35 C ATOM 55958 N4 C 02655 154.600 103.336 101.766 1.00737.35 N ATOM 55959 C5 C 02655 154.388 101.000 101.290 1.00737.35 C ATOM 55960 C6 C 02655 154.819 99.969 100.548 1.00737.35 C ATOM 55961 P G 02656 158.783 95.949 101.493 1.00737.35 P ATOM 55962 O1P G 02656 159.516 94.661 101.404 1.00737.35 O ATOM 55963 O2P G 02656 157.987 96.256 102.708 1.00737.35 O ATOM 55964 O5* G 02656 159.823 97.134 101.266 1.00737.35 O ATOM 55965 C5* G 02656 160.757 97.093 100.187 1.00737.35 C ATOM 55966 C4* G 02656 161.559 98.374 100.134 1.00737.35 C ATOM 55967 O4* G 02656 160.678 99.485 99.828 1.00737.35 O ATOM 55968 C3* G 02656 162.242 98.782 101.431 1.00737.35 C ATOM 55969 O3* G 02656 163.490 98.112 101.578 1.00737.35 O ATOM 55970 C2* G 02656 162.417 100.283 101.245 1.00737.35 C ATOM 55971 O2* G 02656 163.540 100.622 100.453 1.00737.35 O ATOM 55972 C1* G 02656 161.131 100.650 100.499 1.00737.35 C ATOM 55973 N9 G 02656 160.060 101.135 101.369 1.00737.35 N ATOM 55974 C8 G 02656 158.963 100.435 101.810 1.00737.35 C ATOM 55975 N7 G 02656 158.174 101.142 102.574 1.00737.35 N ATOM 55976 C5 G 02656 158.788 102.386 102.643 1.00737.35 C ATOM 55977 C6 G 02656 158.398 103.567 103.329 1.00737.35 C ATOM 55978 O6 G 02656 157.397 103.756 104.033 1.00737.35 O ATOM 55979 N1 G 02656 159.311 104.596 103.132 1.00737.35 N ATOM 55980 C2 G 02656 160.453 104.506 102.375 1.00737.35 C ATOM 55981 N2 G 02656 161.211 105.611 102.309 1.00737.35 N ATOM 55982 N3 G 02656 160.828 103.413 101.730 1.00737.35 N ATOM 55983 C4 G 02656 159.954 102.399 101.906 1.00737.35 C ATOM 55984 P G 02657 164.097 97.868 103.050 1.00737.35 P ATOM 55985 O1P G 02657 165.284 96.983 102.919 1.00737.35 O ATOM 55986 O2P G 02657 162.980 97.468 103.943 1.00737.35 O ATOM 55987 O5* G 02657 164.594 99.312 103.501 1.00737.35 O ATOM 55988 C5* G 02657 165.730 99.922 102.886 1.00737.35 C ATOM 55989 C4* G 02657 165.958 101.304 103.456 1.00737.35 C ATOM 55990 O4* G 02657 164.836 102.159 103.113 1.00737.35 O ATOM 55991 C3* G 02657 166.048 101.390 104.971 1.00737.35 C ATOM 55992 O3* G 02657 167.367 101.089 105.422 1.00737.35 O ATOM 55993 C2* G 02657 165.668 102.841 105.234 1.00737.35 C ATOM 55994 O2* G 02657 166.738 103.743 105.032 1.00737.35 O ATOM 55995 C1* G 02657 164.590 103.071 104.174 1.00737.35 C ATOM 55996 N9 G 02657 163.228 102.858 104.662 1.00737.35 N ATOM 55997 C8 G 02657 162.462 101.723 104.525 1.00737.35 C ATOM 55998 N7 G 02657 161.280 101.834 105.065 1.00737.35 N ATOM 55999 C5 G 02657 161.262 103.119 105.592 1.00737.35 C ATOM 56000 C6 G 02657 160.241 103.808 106.298 1.00737.35 C ATOM 56001 O6 G 02657 159.110 103.410 106.606 1.00737.35 O ATOM 56002 N1 G 02657 160.644 105.091 106.650 1.00737.35 N ATOM 56003 C2 G 02657 161.867 105.644 106.365 1.00737.35 C ATOM 56004 N2 G 02657 162.066 106.898 106.794 1.00737.35 N ATOM 56005 N3 G 02657 162.827 105.014 105.708 1.00737.35 N ATOM 56006 C4 G 02657 162.459 103.763 105.354 1.00737.35 C ATOM 56007 P A 02658 167.598 100.567 106.927 1.00737.35 P ATOM 56008 O1P A 02658 169.025 100.182 107.068 1.00737.35 O ATOM 56009 O2P A 02658 166.536 99.574 107.231 1.00737.35 O ATOM 56010 O5* A 02658 167.334 101.859 107.825 1.00737.35 O ATOM 56011 C5* A 02658 168.185 103.000 107.732 1.00737.35 C ATOM 56012 C4* A 02658 167.632 104.138 108.559 1.00737.35 C ATOM 56013 O4* A 02658 166.344 104.545 108.021 1.00737.35 O ATOM 56014 C3* A 02658 167.349 103.822 110.018 1.00737.35 C ATOM 56015 O3* A 02658 168.534 103.952 110.800 1.00737.35 O ATOM 56016 C2* A 02658 166.304 104.869 110.377 1.00737.35 C ATOM 56017 O2* A 02658 166.859 106.135 110.670 1.00737.35 O ATOM 56018 C1* A 02658 165.493 104.948 109.081 1.00737.35 C ATOM 56019 N9 A 02658 164.306 104.089 109.074 1.00737.35 N ATOM 56020 C8 A 02658 164.215 102.770 108.689 1.00737.35 C ATOM 56021 N7 A 02658 163.008 102.271 108.792 1.00737.35 N ATOM 56022 C5 A 02658 162.251 103.328 109.278 1.00737.35 C ATOM 56023 C6 A 02658 160.886 103.444 109.603 1.00737.35 C ATOM 56024 N6 A 02658 160.008 102.446 109.476 1.00737.35 N ATOM 56025 N1 A 02658 160.451 104.636 110.066 1.00737.35 N ATOM 56026 C2 A 02658 161.331 105.637 110.190 1.00737.35 C ATOM 56027 N3 A 02658 162.634 105.652 109.915 1.00737.35 N ATOM 56028 C4 A 02658 163.038 104.452 109.460 1.00737.35 C ATOM 56029 P C 02659 168.687 103.112 112.165 1.00737.35 P ATOM 56030 O1P C 02659 170.118 103.148 112.568 1.00737.35 O ATOM 56031 O2P C 02659 168.015 101.801 111.978 1.00737.35 O ATOM 56032 O5* C 02659 167.849 103.950 113.229 1.00737.35 O ATOM 56033 C5* C 02659 168.240 105.274 113.590 1.00737.35 C ATOM 56034 C4* C 02659 167.137 105.952 114.368 1.00737.35 C ATOM 56035 O4* C 02659 165.951 106.039 113.534 1.00737.35 O ATOM 56036 C3* C 02659 166.667 105.233 115.624 1.00737.35 C ATOM 56037 O3* C 02659 167.496 105.550 116.740 1.00737.35 O ATOM 56038 C2* C 02659 165.249 105.768 115.786 1.00737.35 C ATOM 56039 O2* C 02659 165.200 107.048 116.384 1.00737.35 O ATOM 56040 C1* C 02659 164.790 105.855 114.330 1.00737.35 C ATOM 56041 N1 C 02659 164.084 104.640 113.866 1.00737.35 N ATOM 56042 C2 C 02659 162.713 104.502 114.143 1.00737.35 C ATOM 56043 O2 C 02659 162.126 105.402 114.773 1.00737.35 O ATOM 56044 N3 C 02659 162.066 103.392 113.719 1.00737.35 N ATOM 56045 C4 C 02659 162.726 102.446 113.050 1.00737.35 C ATOM 56046 N4 C 02659 162.043 101.371 112.652 1.00737.35 N ATOM 56047 C5 C 02659 164.116 102.559 112.757 1.00737.35 C ATOM 56048 C6 C 02659 164.748 103.662 113.181 1.00737.35 C ATOM 56049 P C 02660 167.278 104.783 118.140 1.00737.35 P ATOM 56050 O1P C 02660 168.286 105.312 119.095 1.00737.35 O ATOM 56051 O2P C 02660 167.213 103.322 117.878 1.00737.35 O ATOM 56052 O5* C 02660 165.842 105.278 118.614 1.00737.35 O ATOM 56053 C5* C 02660 165.208 104.733 119.767 1.00737.35 C ATOM 56054 C4* C 02660 163.829 105.328 119.925 1.00737.35 C ATOM 56055 O4* C 02660 163.058 105.068 118.726 1.00737.35 O ATOM 56056 C3* C 02660 162.979 104.772 121.056 1.00737.35 C ATOM 56057 O3* C 02660 163.292 105.444 122.273 1.00737.35 O ATOM 56058 C2* C 02660 161.563 105.087 120.580 1.00737.35 C ATOM 56059 O2* C 02660 161.172 106.421 120.844 1.00737.35 O ATOM 56060 C1* C 02660 161.693 104.887 119.067 1.00737.35 C ATOM 56061 N1 C 02660 161.256 103.557 118.593 1.00737.35 N ATOM 56062 C2 C 02660 159.898 103.357 118.290 1.00737.35 C ATOM 56063 O2 C 02660 159.099 104.296 118.435 1.00737.35 O ATOM 56064 N3 C 02660 159.493 102.145 117.846 1.00737.35 N ATOM 56065 C4 C 02660 160.377 101.155 117.701 1.00737.35 C ATOM 56066 N4 C 02660 159.931 99.979 117.255 1.00737.35 N ATOM 56067 C5 C 02660 161.758 101.328 118.008 1.00737.35 C ATOM 56068 C6 C 02660 162.150 102.530 118.446 1.00737.35 C ATOM 56069 P G 02661 162.652 104.945 123.667 1.00737.35 P ATOM 56070 O1P G 02661 163.782 104.548 124.544 1.00737.35 O ATOM 56071 O2P G 02661 161.562 103.973 123.392 1.00737.35 O ATOM 56072 O5* G 02661 161.998 106.262 124.282 1.00737.35 O ATOM 56073 C5* G 02661 162.132 107.523 123.626 1.00737.35 C ATOM 56074 C4* G 02661 161.000 108.447 124.014 1.00737.35 C ATOM 56075 O4* G 02661 161.158 109.696 123.286 1.00737.35 O ATOM 56076 C3* G 02661 159.608 107.959 123.644 1.00737.35 C ATOM 56077 O3* G 02661 159.066 107.133 124.672 1.00737.35 O ATOM 56078 C2* G 02661 158.838 109.266 123.497 1.00737.35 C ATOM 56079 O2* G 02661 158.446 109.823 124.736 1.00737.35 O ATOM 56080 C1* G 02661 159.892 110.155 122.837 1.00737.35 C ATOM 56081 N9 G 02661 159.868 110.087 121.377 1.00737.35 N ATOM 56082 C8 G 02661 160.851 109.582 120.554 1.00737.35 C ATOM 56083 N7 G 02661 160.542 109.647 119.287 1.00737.35 N ATOM 56084 C5 G 02661 159.282 110.229 119.269 1.00737.35 C ATOM 56085 C6 G 02661 158.435 110.552 118.176 1.00737.35 C ATOM 56086 O6 G 02661 158.637 110.379 116.968 1.00737.35 O ATOM 56087 N1 G 02661 157.246 111.132 118.606 1.00737.35 N ATOM 56088 C2 G 02661 156.912 111.372 119.916 1.00737.35 C ATOM 56089 N2 G 02661 155.714 111.942 120.126 1.00737.35 N ATOM 56090 N3 G 02661 157.690 111.075 120.943 1.00737.35 N ATOM 56091 C4 G 02661 158.853 110.511 120.549 1.00737.35 C ATOM 56092 P C 02662 158.005 105.982 124.299 1.00737.35 P ATOM 56093 O1P C 02662 157.626 105.307 125.567 1.00737.35 O ATOM 56094 O2P C 02662 158.556 105.180 123.178 1.00737.35 O ATOM 56095 O5* C 02662 156.732 106.781 123.764 1.00737.35 O ATOM 56096 C5* C 02662 156.106 107.785 124.561 1.00737.35 C ATOM 56097 C4* C 02662 154.951 108.407 123.809 1.00737.35 C ATOM 56098 O4* C 02662 155.444 108.983 122.571 1.00737.35 O ATOM 56099 C3* C 02662 153.858 107.448 123.368 1.00737.35 C ATOM 56100 O3* C 02662 152.916 107.240 124.415 1.00737.35 O ATOM 56101 C2* C 02662 153.235 108.184 122.188 1.00737.35 C ATOM 56102 O2* C 02662 152.318 109.187 122.580 1.00737.35 O ATOM 56103 C1* C 02662 154.468 108.832 121.551 1.00737.35 C ATOM 56104 N1 C 02662 155.049 108.036 120.448 1.00737.35 N ATOM 56105 C2 C 02662 154.564 108.230 119.143 1.00737.35 C ATOM 56106 O2 C 02662 153.666 109.064 118.946 1.00737.35 O ATOM 56107 N3 C 02662 155.089 107.499 118.131 1.00737.35 N ATOM 56108 C4 C 02662 156.053 106.610 118.379 1.00737.35 C ATOM 56109 N4 C 02662 156.541 105.912 117.349 1.00737.35 N ATOM 56110 C5 C 02662 156.564 106.396 119.692 1.00737.35 C ATOM 56111 C6 C 02662 156.039 107.123 120.686 1.00737.35 C ATOM 56112 P U 02663 152.402 105.754 124.743 1.00737.35 P ATOM 56113 O1P U 02663 151.377 105.867 125.816 1.00737.35 O ATOM 56114 O2P U 02663 153.588 104.885 124.956 1.00737.35 O ATOM 56115 O5* U 02663 151.678 105.286 123.402 1.00737.35 O ATOM 56116 C5* U 02663 150.385 105.776 123.052 1.00737.35 C ATOM 56117 C4* U 02663 149.745 104.872 122.022 1.00737.35 C ATOM 56118 O4* U 02663 150.510 104.927 120.790 1.00737.35 O ATOM 56119 C3* U 02663 149.713 103.395 122.391 1.00737.35 C ATOM 56120 O3* U 02663 148.574 103.089 123.189 1.00737.35 O ATOM 56121 C2* U 02663 149.655 102.721 121.025 1.00737.35 C ATOM 56122 O2* U 02663 148.354 102.694 120.472 1.00737.35 O ATOM 56123 C1* U 02663 150.554 103.639 120.192 1.00737.35 C ATOM 56124 N1 U 02663 151.959 103.201 120.119 1.00737.35 N ATOM 56125 C2 U 02663 152.271 102.151 119.265 1.00737.35 C ATOM 56126 O2 U 02663 151.431 101.574 118.587 1.00737.35 O ATOM 56127 N3 U 02663 153.602 101.803 119.237 1.00737.35 N ATOM 56128 C4 U 02663 154.628 102.379 119.964 1.00737.35 C ATOM 56129 O4 U 02663 155.780 101.960 119.832 1.00737.35 O ATOM 56130 C5 U 02663 154.224 103.447 120.823 1.00737.35 C ATOM 56131 C6 U 02663 152.940 103.812 120.872 1.00737.35 C ATOM 56132 P G 02664 148.688 101.976 124.343 1.00737.35 P ATOM 56133 O1P G 02664 147.325 101.767 124.891 1.00737.35 O ATOM 56134 O2P G 02664 149.796 102.360 125.255 1.00737.35 O ATOM 56135 O5* G 02664 149.111 100.653 123.557 1.00737.35 O ATOM 56136 C5* G 02664 149.807 99.599 124.213 1.00737.35 C ATOM 56137 C4* G 02664 150.110 98.489 123.238 1.00737.35 C ATOM 56138 O4* G 02664 150.814 99.035 122.089 1.00737.35 O ATOM 56139 C3* G 02664 151.028 97.393 123.760 1.00737.35 C ATOM 56140 O3* G 02664 150.300 96.412 124.487 1.00737.35 O ATOM 56141 C2* G 02664 151.622 96.833 122.472 1.00737.35 C ATOM 56142 O2* G 02664 150.761 95.928 121.809 1.00737.35 O ATOM 56143 C1* G 02664 151.783 98.104 121.636 1.00737.35 C ATOM 56144 N9 G 02664 153.105 98.713 121.760 1.00737.35 N ATOM 56145 C8 G 02664 153.467 99.756 122.583 1.00737.35 C ATOM 56146 N7 G 02664 154.725 100.083 122.474 1.00737.35 N ATOM 56147 C5 G 02664 155.228 99.206 121.522 1.00737.35 C ATOM 56148 C6 G 02664 156.537 99.081 120.991 1.00737.35 C ATOM 56149 O6 G 02664 157.548 99.741 121.262 1.00737.35 O ATOM 56150 N1 G 02664 156.609 98.060 120.048 1.00737.35 N ATOM 56151 C2 G 02664 155.559 97.261 119.668 1.00737.35 C ATOM 56152 N2 G 02664 155.834 96.329 118.743 1.00737.35 N ATOM 56153 N3 G 02664 154.334 97.367 120.154 1.00737.35 N ATOM 56154 C4 G 02664 154.241 98.353 121.071 1.00737.35 C ATOM 56155 P G 02665 151.056 95.492 125.569 1.00737.35 P ATOM 56156 O1P G 02665 150.028 94.649 126.228 1.00737.35 O ATOM 56157 O2P G 02665 151.932 96.364 126.395 1.00737.35 O ATOM 56158 O5* G 02665 151.988 94.549 124.683 1.00737.35 O ATOM 56159 C5* G 02665 151.422 93.564 123.822 1.00737.35 C ATOM 56160 C4* G 02665 152.505 92.861 123.035 1.00737.35 C ATOM 56161 O4* G 02665 153.153 93.806 122.145 1.00737.35 O ATOM 56162 C3* G 02665 153.644 92.273 123.852 1.00737.35 C ATOM 56163 O3* G 02665 153.299 90.991 124.363 1.00737.35 O ATOM 56164 C2* G 02665 154.767 92.190 122.823 1.00737.35 C ATOM 56165 O2* G 02665 154.672 91.054 121.986 1.00737.35 O ATOM 56166 C1* G 02665 154.523 93.459 122.000 1.00737.35 C ATOM 56167 N9 G 02665 155.341 94.595 122.419 1.00737.35 N ATOM 56168 C8 G 02665 154.960 95.650 123.216 1.00737.35 C ATOM 56169 N7 G 02665 155.915 96.516 123.414 1.00737.35 N ATOM 56170 C5 G 02665 156.997 96.005 122.708 1.00737.35 C ATOM 56171 C6 G 02665 158.315 96.510 122.552 1.00737.35 C ATOM 56172 O6 G 02665 158.804 97.545 123.018 1.00737.35 O ATOM 56173 N1 G 02665 159.090 95.674 121.754 1.00737.35 N ATOM 56174 C2 G 02665 158.657 94.504 121.180 1.00737.35 C ATOM 56175 N2 G 02665 159.560 93.836 120.446 1.00737.35 N ATOM 56176 N3 G 02665 157.431 94.023 121.316 1.00737.35 N ATOM 56177 C4 G 02665 156.660 94.820 122.088 1.00737.35 C ATOM 56178 P U 02666 153.975 90.465 125.725 1.00737.35 P ATOM 56179 O1P U 02666 153.368 89.146 126.037 1.00737.35 O ATOM 56180 O2P U 02666 153.918 91.556 126.733 1.00737.35 O ATOM 56181 O5* U 02666 155.501 90.231 125.330 1.00737.35 O ATOM 56182 C5* U 02666 155.869 89.239 124.373 1.00737.35 C ATOM 56183 C4* U 02666 157.319 89.400 123.977 1.00737.35 C ATOM 56184 O4* U 02666 157.501 90.690 123.333 1.00737.35 O ATOM 56185 C3* U 02666 158.322 89.409 125.121 1.00737.35 C ATOM 56186 O3* U 02666 158.683 88.086 125.505 1.00737.35 O ATOM 56187 C2* U 02666 159.498 90.166 124.513 1.00737.35 C ATOM 56188 O2* U 02666 160.311 89.356 123.687 1.00737.35 O ATOM 56189 C1* U 02666 158.777 91.216 123.664 1.00737.35 C ATOM 56190 N1 U 02666 158.596 92.503 124.355 1.00737.35 N ATOM 56191 C2 U 02666 159.642 93.416 124.311 1.00737.35 C ATOM 56192 O2 U 02666 160.693 93.200 123.727 1.00737.35 O ATOM 56193 N3 U 02666 159.410 94.595 124.974 1.00737.35 N ATOM 56194 C4 U 02666 158.271 94.951 125.665 1.00737.35 C ATOM 56195 O4 U 02666 158.211 96.057 126.206 1.00737.35 O ATOM 56196 C5 U 02666 157.240 93.961 125.668 1.00737.35 C ATOM 56197 C6 U 02666 157.432 92.801 125.030 1.00737.35 C ATOM 56198 P C 02667 159.163 87.801 127.011 1.00737.35 P ATOM 56199 O1P C 02667 159.707 86.419 127.049 1.00737.35 O ATOM 56200 O2P C 02667 158.060 88.180 127.932 1.00737.35 O ATOM 56201 O5* C 02667 160.376 88.813 127.223 1.00737.35 O ATOM 56202 C5* C 02667 160.759 89.241 128.527 1.00737.35 C ATOM 56203 C4* C 02667 161.726 90.399 128.436 1.00737.35 C ATOM 56204 O4* C 02667 161.133 91.458 127.638 1.00737.35 O ATOM 56205 C3* C 02667 162.062 91.065 129.759 1.00737.35 C ATOM 56206 O3* C 02667 163.132 90.389 130.408 1.00737.35 O ATOM 56207 C2* C 02667 162.485 92.463 129.320 1.00737.35 C ATOM 56208 O2* C 02667 163.825 92.512 128.874 1.00737.35 O ATOM 56209 C1* C 02667 161.540 92.720 128.143 1.00737.35 C ATOM 56210 N1 C 02667 160.337 93.505 128.498 1.00737.35 N ATOM 56211 C2 C 02667 160.448 94.901 128.611 1.00737.35 C ATOM 56212 O2 C 02667 161.549 95.440 128.416 1.00737.35 O ATOM 56213 N3 C 02667 159.350 95.625 128.932 1.00737.35 N ATOM 56214 C4 C 02667 158.180 95.013 129.135 1.00737.35 C ATOM 56215 N4 C 02667 157.126 95.771 129.444 1.00737.35 N ATOM 56216 C5 C 02667 158.040 93.598 129.029 1.00737.35 C ATOM 56217 C6 C 02667 159.133 92.890 128.714 1.00737.35 C ATOM 56218 P U 02668 162.890 89.685 131.833 1.00737.35 P ATOM 56219 O1P U 02668 161.601 90.170 132.389 1.00737.35 O ATOM 56220 O2P U 02668 164.133 89.831 132.633 1.00737.35 O ATOM 56221 O5* U 02668 162.713 88.144 131.466 1.00737.35 O ATOM 56222 C5* U 02668 163.752 87.427 130.807 1.00737.35 C ATOM 56223 C4* U 02668 164.174 86.243 131.644 1.00737.35 C ATOM 56224 O4* U 02668 163.026 85.380 131.869 1.00737.35 O ATOM 56225 C3* U 02668 165.237 85.340 131.039 1.00737.35 C ATOM 56226 O3* U 02668 166.542 85.943 131.152 1.00737.35 O ATOM 56227 C2* U 02668 164.949 84.003 131.718 1.00737.35 C ATOM 56228 O2* U 02668 165.420 83.899 133.048 1.00737.35 O ATOM 56229 C1* U 02668 163.421 84.020 131.761 1.00737.35 C ATOM 56230 N1 U 02668 162.763 83.441 130.576 1.00737.35 N ATOM 56231 C2 U 02668 162.719 82.057 130.464 1.00737.35 C ATOM 56232 O2 U 02668 163.224 81.304 131.280 1.00737.35 O ATOM 56233 N3 U 02668 162.065 81.589 129.351 1.00737.35 N ATOM 56234 C4 U 02668 161.467 82.336 128.359 1.00737.35 C ATOM 56235 O4 U 02668 160.871 81.765 127.446 1.00737.35 O ATOM 56236 C5 U 02668 161.566 83.752 128.536 1.00737.35 C ATOM 56237 C6 U 02668 162.192 84.242 129.610 1.00737.35 C ATOM 56238 P C 02669 167.646 85.375 132.185 1.00737.35 P ATOM 56239 O1P C 02669 168.876 86.172 131.942 1.00737.35 O ATOM 56240 O2P C 02669 167.716 83.892 132.107 1.00737.35 O ATOM 56241 O5* C 02669 167.086 85.806 133.616 1.00737.35 O ATOM 56242 C5* C 02669 166.330 87.008 133.764 1.00737.35 C ATOM 56243 C4* C 02669 165.527 86.984 135.045 1.00737.35 C ATOM 56244 O4* C 02669 164.887 85.691 135.197 1.00737.35 O ATOM 56245 C3* C 02669 166.308 87.164 136.338 1.00737.35 C ATOM 56246 O3* C 02669 166.486 88.556 136.585 1.00737.35 O ATOM 56247 C2* C 02669 165.370 86.540 137.368 1.00737.35 C ATOM 56248 O2* C 02669 164.343 87.416 137.786 1.00737.35 O ATOM 56249 C1* C 02669 164.765 85.379 136.577 1.00737.35 C ATOM 56250 N1 C 02669 165.411 84.077 136.838 1.00737.35 N ATOM 56251 C2 C 02669 165.021 83.346 137.973 1.00737.35 C ATOM 56252 O2 C 02669 164.154 83.816 138.729 1.00737.35 O ATOM 56253 N3 C 02669 165.599 82.149 138.218 1.00737.35 N ATOM 56254 C4 C 02669 166.530 81.675 137.388 1.00737.35 C ATOM 56255 N4 C 02669 167.069 80.486 137.669 1.00737.35 N ATOM 56256 C5 C 02669 166.949 82.397 136.231 1.00737.35 C ATOM 56257 C6 C 02669 166.370 83.581 135.997 1.00737.35 C ATOM 56258 P C 02670 167.537 89.052 137.695 1.00737.35 P ATOM 56259 O1P C 02670 168.731 89.589 136.990 1.00737.35 O ATOM 56260 O2P C 02670 167.706 87.975 138.706 1.00737.35 O ATOM 56261 O5* C 02670 166.771 90.261 138.397 1.00737.35 O ATOM 56262 C5* C 02670 167.439 91.478 138.725 1.00737.35 C ATOM 56263 C4* C 02670 166.431 92.577 138.967 1.00737.35 C ATOM 56264 O4* C 02670 165.703 92.847 137.738 1.00737.35 O ATOM 56265 C3* C 02670 165.342 92.260 139.979 1.00737.35 C ATOM 56266 O3* C 02670 165.789 92.495 141.311 1.00737.35 O ATOM 56267 C2* C 02670 164.230 93.220 139.569 1.00737.35 C ATOM 56268 O2* C 02670 164.426 94.536 140.049 1.00737.35 O ATOM 56269 C1* C 02670 164.361 93.202 138.043 1.00737.35 C ATOM 56270 N1 C 02670 163.451 92.239 137.384 1.00737.35 N ATOM 56271 C2 C 02670 162.123 92.632 137.115 1.00737.35 C ATOM 56272 O2 C 02670 161.750 93.773 137.435 1.00737.35 O ATOM 56273 N3 C 02670 161.288 91.755 136.513 1.00737.35 N ATOM 56274 C4 C 02670 161.721 90.535 136.182 1.00737.35 C ATOM 56275 N4 C 02670 160.858 89.706 135.590 1.00737.35 N ATOM 56276 C5 C 02670 163.056 90.112 136.444 1.00737.35 C ATOM 56277 C6 C 02670 163.879 90.986 137.039 1.00737.35 C ATOM 56278 P C 02671 165.087 91.721 142.533 1.00737.35 P ATOM 56279 O1P C 02671 165.800 92.088 143.783 1.00737.35 O ATOM 56280 O2P C 02671 164.962 90.290 142.156 1.00737.35 O ATOM 56281 O5* C 02671 163.623 92.346 142.587 1.00737.35 O ATOM 56282 C5* C 02671 163.427 93.719 142.919 1.00737.35 C ATOM 56283 C4* C 02671 161.972 94.101 142.765 1.00737.35 C ATOM 56284 O4* C 02671 161.581 93.987 141.372 1.00737.35 O ATOM 56285 C3* C 02671 160.970 93.225 143.498 1.00737.35 C ATOM 56286 O3* C 02671 160.863 93.607 144.865 1.00737.35 O ATOM 56287 C2* C 02671 159.684 93.494 142.725 1.00737.35 C ATOM 56288 O2* C 02671 159.037 94.689 143.114 1.00737.35 O ATOM 56289 C1* C 02671 160.208 93.632 141.293 1.00737.35 C ATOM 56290 N1 C 02671 160.073 92.398 140.493 1.00737.35 N ATOM 56291 C2 C 02671 158.890 92.193 139.760 1.00737.35 C ATOM 56292 O2 C 02671 157.995 93.055 139.798 1.00737.35 O ATOM 56293 N3 C 02671 158.752 91.061 139.034 1.00737.35 N ATOM 56294 C4 C 02671 159.731 90.156 139.013 1.00737.35 C ATOM 56295 N4 C 02671 159.546 89.052 138.282 1.00737.35 N ATOM 56296 C5 C 02671 160.942 90.339 139.741 1.00737.35 C ATOM 56297 C6 C 02671 161.071 91.462 140.460 1.00737.35 C ATOM 56298 P U 02672 160.286 92.561 145.944 1.00737.35 P ATOM 56299 O1P U 02672 160.426 93.165 147.294 1.00737.35 O ATOM 56300 O2P U 02672 160.901 91.238 145.665 1.00737.35 O ATOM 56301 O5* U 02672 158.737 92.469 145.590 1.00737.35 O ATOM 56302 C5* U 02672 157.879 93.597 145.763 1.00737.35 C ATOM 56303 C4* U 02672 156.481 93.274 145.283 1.00737.35 C ATOM 56304 O4* U 02672 156.496 93.054 143.849 1.00737.35 O ATOM 56305 C3* U 02672 155.869 92.003 145.849 1.00737.35 C ATOM 56306 O3* U 02672 155.298 92.237 147.132 1.00737.35 O ATOM 56307 C2* U 02672 154.820 91.657 144.800 1.00737.35 C ATOM 56308 O2* U 02672 153.623 92.398 144.945 1.00737.35 O ATOM 56309 C1* U 02672 155.532 92.066 143.509 1.00737.35 C ATOM 56310 N1 U 02672 156.219 90.950 142.833 1.00737.35 N ATOM 56311 C2 U 02672 155.483 90.191 141.930 1.00737.35 C ATOM 56312 O2 U 02672 154.308 90.408 141.676 1.00737.35 O ATOM 56313 N3 U 02672 156.178 89.168 141.336 1.00737.35 N ATOM 56314 C4 U 02672 157.501 88.827 141.542 1.00737.35 C ATOM 56315 O4 U 02672 157.984 87.877 140.927 1.00737.35 O ATOM 56316 C5 U 02672 158.190 89.655 142.484 1.00737.35 C ATOM 56317 C6 U 02672 157.543 90.661 143.081 1.00737.35 C ATOM 56318 P G 02673 155.220 91.036 148.198 1.00737.35 P ATOM 56319 O1P G 02673 154.731 91.592 149.487 1.00737.35 O ATOM 56320 O2P G 02673 156.516 90.309 148.160 1.00737.35 O ATOM 56321 O5* G 02673 154.097 90.074 147.605 1.00737.35 O ATOM 56322 C5* G 02673 152.727 90.466 147.608 1.00737.35 C ATOM 56323 C4* G 02673 151.877 89.417 146.924 1.00737.35 C ATOM 56324 O4* G 02673 152.205 89.366 145.511 1.00737.35 O ATOM 56325 C3* G 02673 152.076 87.988 147.402 1.00737.35 C ATOM 56326 O3* G 02673 151.335 87.730 148.591 1.00737.35 O ATOM 56327 C2* G 02673 151.563 87.183 146.213 1.00737.35 C ATOM 56328 O2* G 02673 150.154 87.081 146.176 1.00737.35 O ATOM 56329 C1* G 02673 152.050 88.037 145.040 1.00737.35 C ATOM 56330 N9 G 02673 153.325 87.584 144.484 1.00737.35 N ATOM 56331 C8 G 02673 154.576 88.096 144.738 1.00737.35 C ATOM 56332 N7 G 02673 155.525 87.474 144.091 1.00737.35 N ATOM 56333 C5 G 02673 154.862 86.491 143.366 1.00737.35 C ATOM 56334 C6 G 02673 155.369 85.505 142.479 1.00737.35 C ATOM 56335 O6 G 02673 156.542 85.295 142.146 1.00737.35 O ATOM 56336 N1 G 02673 154.348 84.713 141.962 1.00737.35 N ATOM 56337 C2 G 02673 153.015 84.849 142.258 1.00737.35 C ATOM 56338 N2 G 02673 152.183 83.986 141.656 1.00737.35 N ATOM 56339 N3 G 02673 152.532 85.765 143.081 1.00737.35 N ATOM 56340 C4 G 02673 153.505 86.546 143.597 1.00737.35 C ATOM 56341 P C 02674 151.813 86.567 149.592 1.00737.35 P ATOM 56342 O1P C 02674 150.954 86.617 150.804 1.00737.35 O ATOM 56343 O2P C 02674 153.289 86.666 149.736 1.00737.35 O ATOM 56344 O5* C 02674 151.482 85.224 148.799 1.00737.35 O ATOM 56345 C5* C 02674 150.150 84.938 148.383 1.00737.35 C ATOM 56346 C4* C 02674 150.130 83.742 147.460 1.00737.35 C ATOM 56347 O4* C 02674 150.893 84.034 146.260 1.00737.35 O ATOM 56348 C3* C 02674 150.753 82.463 147.992 1.00737.35 C ATOM 56349 O3* C 02674 149.827 81.767 148.822 1.00737.35 O ATOM 56350 C2* C 02674 151.064 81.699 146.708 1.00737.35 C ATOM 56351 O2* C 02674 149.941 81.019 146.181 1.00737.35 O ATOM 56352 C1* C 02674 151.470 82.834 145.765 1.00737.35 C ATOM 56353 N1 C 02674 152.931 83.016 145.641 1.00737.35 N ATOM 56354 C2 C 02674 153.629 82.252 144.690 1.00737.35 C ATOM 56355 O2 C 02674 153.003 81.445 143.982 1.00737.35 O ATOM 56356 N3 C 02674 154.968 82.408 144.570 1.00737.35 N ATOM 56357 C4 C 02674 155.609 83.283 145.347 1.00737.35 C ATOM 56358 N4 C 02674 156.930 83.404 145.189 1.00737.35 N ATOM 56359 C5 C 02674 154.927 84.072 146.319 1.00737.35 C ATOM 56360 C6 C 02674 153.602 83.908 146.433 1.00737.35 C ATOM 56361 P U 02675 150.335 80.547 149.740 1.00737.35 P ATOM 56362 O1P U 02675 149.391 80.436 150.883 1.00737.35 O ATOM 56363 O2P U 02675 151.787 80.711 150.007 1.00737.35 O ATOM 56364 O5* U 02675 150.143 79.268 148.810 1.00737.35 O ATOM 56365 C5* U 02675 148.838 78.805 148.463 1.00737.35 C ATOM 56366 C4* U 02675 148.930 77.555 147.618 1.00737.35 C ATOM 56367 O4* U 02675 149.532 77.876 146.337 1.00737.35 O ATOM 56368 C3* U 02675 149.805 76.447 148.178 1.00737.35 C ATOM 56369 O3* U 02675 149.091 75.657 149.121 1.00737.35 O ATOM 56370 C2* U 02675 150.174 75.662 146.924 1.00737.35 C ATOM 56371 O2* U 02675 149.157 74.768 146.512 1.00737.35 O ATOM 56372 C1* U 02675 150.327 76.786 145.896 1.00737.35 C ATOM 56373 N1 U 02675 151.714 77.250 145.731 1.00737.35 N ATOM 56374 C2 U 02675 152.519 76.579 144.821 1.00737.35 C ATOM 56375 O2 U 02675 152.130 75.628 144.159 1.00737.35 O ATOM 56376 N3 U 02675 153.801 77.061 144.714 1.00737.35 N ATOM 56377 C4 U 02675 154.353 78.121 145.405 1.00737.35 C ATOM 56378 O4 U 02675 155.523 78.440 145.193 1.00737.35 O ATOM 56379 C5 U 02675 153.464 78.762 146.324 1.00737.35 C ATOM 56380 C6 U 02675 152.208 78.316 146.453 1.00737.35 C ATOM 56381 P G 02676 149.860 75.050 150.399 1.00737.35 P ATOM 56382 O1P G 02676 148.835 74.412 151.267 1.00737.35 O ATOM 56383 O2P G 02676 150.742 76.106 150.963 1.00737.35 O ATOM 56384 O5* G 02676 150.783 73.907 149.784 1.00737.35 O ATOM 56385 C5* G 02676 150.232 72.648 149.400 1.00737.35 C ATOM 56386 C4* G 02676 151.320 71.725 148.905 1.00737.35 C ATOM 56387 O4* G 02676 151.869 72.233 147.662 1.00737.35 O ATOM 56388 C3* G 02676 152.532 71.580 149.813 1.00737.35 C ATOM 56389 O3* G 02676 152.292 70.628 150.844 1.00737.35 O ATOM 56390 C2* G 02676 153.608 71.113 148.839 1.00737.35 C ATOM 56391 O2* G 02676 153.546 69.728 148.562 1.00737.35 O ATOM 56392 C1* G 02676 153.249 71.911 147.582 1.00737.35 C ATOM 56393 N9 G 02676 154.011 73.149 147.436 1.00737.35 N ATOM 56394 C8 G 02676 153.663 74.402 147.885 1.00737.35 C ATOM 56395 N7 G 02676 154.555 75.312 147.602 1.00737.35 N ATOM 56396 C5 G 02676 155.551 74.624 146.927 1.00737.35 C ATOM 56397 C6 G 02676 156.777 75.084 146.375 1.00737.35 C ATOM 56398 O6 G 02676 157.239 76.232 146.370 1.00737.35 O ATOM 56399 N1 G 02676 157.489 74.048 145.778 1.00737.35 N ATOM 56400 C2 G 02676 157.081 72.739 145.720 1.00737.35 C ATOM 56401 N2 G 02676 157.910 71.886 145.101 1.00737.35 N ATOM 56402 N3 G 02676 155.942 72.297 146.231 1.00737.35 N ATOM 56403 C4 G 02676 155.232 73.286 146.816 1.00737.35 C ATOM 56404 P U 02677 153.067 70.758 152.248 1.00737.35 P ATOM 56405 O1P U 02677 152.453 69.782 153.184 1.00737.35 O ATOM 56406 O2P U 02677 153.128 72.193 152.627 1.00737.35 O ATOM 56407 O5* U 02677 154.547 70.270 151.915 1.00737.35 O ATOM 56408 C5* U 02677 154.794 68.939 151.462 1.00737.35 C ATOM 56409 C4* U 02677 156.171 68.839 150.846 1.00737.35 C ATOM 56410 O4* U 02677 156.245 69.724 149.694 1.00737.35 O ATOM 56411 C3* U 02677 157.332 69.274 151.726 1.00737.35 C ATOM 56412 O3* U 02677 157.748 68.215 152.585 1.00737.35 O ATOM 56413 C2* U 02677 158.398 69.631 150.696 1.00737.35 C ATOM 56414 O2* U 02677 159.075 68.502 150.183 1.00737.35 O ATOM 56415 C1* U 02677 157.549 70.273 149.596 1.00737.35 C ATOM 56416 N1 U 02677 157.456 71.738 149.709 1.00737.35 N ATOM 56417 C2 U 02677 158.418 72.503 149.063 1.00737.35 C ATOM 56418 O2 U 02677 159.330 72.019 148.409 1.00737.35 O ATOM 56419 N3 U 02677 158.276 73.860 149.211 1.00737.35 N ATOM 56420 C4 U 02677 157.294 74.522 149.921 1.00737.35 C ATOM 56421 O4 U 02677 157.303 75.753 149.961 1.00737.35 O ATOM 56422 C5 U 02677 156.338 73.668 150.555 1.00737.35 C ATOM 56423 C6 U 02677 156.448 72.342 150.433 1.00737.35 C ATOM 56424 P C 02678 158.589 68.546 153.916 1.00737.35 P ATOM 56425 O1P C 02678 158.642 67.300 154.724 1.00737.35 O ATOM 56426 O2P C 02678 158.050 69.789 154.524 1.00737.35 O ATOM 56427 O5* C 02678 160.057 68.853 153.375 1.00737.35 O ATOM 56428 C5* C 02678 160.830 67.837 152.741 1.00737.35 C ATOM 56429 C4* C 02678 162.039 68.440 152.059 1.00737.35 C ATOM 56430 O4* C 02678 161.596 69.373 151.038 1.00737.35 O ATOM 56431 C3* C 02678 162.966 69.262 152.940 1.00737.35 C ATOM 56432 O3* C 02678 163.893 68.425 153.625 1.00737.35 O ATOM 56433 C2* C 02678 163.658 70.163 151.924 1.00737.35 C ATOM 56434 O2* C 02678 164.723 69.523 151.246 1.00737.35 O ATOM 56435 C1* C 02678 162.520 70.447 150.942 1.00737.35 C ATOM 56436 N1 C 02678 161.806 71.714 151.212 1.00737.35 N ATOM 56437 C2 C 02678 162.282 72.896 150.621 1.00737.35 C ATOM 56438 O2 C 02678 163.287 72.849 149.889 1.00737.35 O ATOM 56439 N3 C 02678 161.636 74.059 150.865 1.00737.35 N ATOM 56440 C4 C 02678 160.562 74.075 151.655 1.00737.35 C ATOM 56441 N4 C 02678 159.958 75.246 151.866 1.00737.35 N ATOM 56442 C5 C 02678 160.060 72.891 152.269 1.00737.35 C ATOM 56443 C6 C 02678 160.705 71.744 152.023 1.00737.35 C ATOM 56444 P G 02679 164.602 68.950 154.970 1.00737.35 P ATOM 56445 O1P G 02679 165.404 67.823 155.515 1.00737.35 O ATOM 56446 O2P G 02679 163.575 69.598 155.827 1.00737.35 O ATOM 56447 O5* G 02679 165.609 70.077 154.462 1.00737.35 O ATOM 56448 C5* G 02679 166.716 69.749 153.621 1.00737.35 C ATOM 56449 C4* G 02679 167.426 71.005 153.173 1.00737.35 C ATOM 56450 O4* G 02679 166.520 71.813 152.377 1.00737.35 O ATOM 56451 C3* G 02679 167.891 71.935 154.281 1.00737.35 C ATOM 56452 O3* G 02679 169.163 71.530 154.784 1.00737.35 O ATOM 56453 C2* G 02679 167.965 73.282 153.570 1.00737.35 C ATOM 56454 O2* G 02679 169.155 73.452 152.825 1.00737.35 O ATOM 56455 C1* G 02679 166.771 73.189 152.616 1.00737.35 C ATOM 56456 N9 G 02679 165.549 73.802 153.134 1.00737.35 N ATOM 56457 C8 G 02679 164.447 73.157 153.647 1.00737.35 C ATOM 56458 N7 G 02679 163.503 73.976 154.025 1.00737.35 N ATOM 56459 C5 G 02679 164.008 75.238 153.748 1.00737.35 C ATOM 56460 C6 G 02679 163.435 76.521 153.944 1.00737.35 C ATOM 56461 O6 G 02679 162.326 76.808 154.412 1.00737.35 O ATOM 56462 N1 G 02679 164.292 77.534 153.526 1.00737.35 N ATOM 56463 C2 G 02679 165.541 77.341 152.991 1.00737.35 C ATOM 56464 N2 G 02679 166.218 78.448 152.652 1.00737.35 N ATOM 56465 N3 G 02679 166.089 76.150 152.803 1.00737.35 N ATOM 56466 C4 G 02679 165.273 75.150 153.201 1.00737.35 C ATOM 56467 P U 02680 169.593 71.928 156.281 1.00737.35 P ATOM 56468 O1P U 02680 170.918 71.304 156.537 1.00737.35 O ATOM 56469 O2P U 02680 168.457 71.637 157.193 1.00737.35 O ATOM 56470 O5* U 02680 169.801 73.507 156.214 1.00737.35 O ATOM 56471 C5* U 02680 169.783 74.301 157.397 1.00737.35 C ATOM 56472 C4* U 02680 169.905 75.765 157.046 1.00737.35 C ATOM 56473 O4* U 02680 168.906 76.108 156.047 1.00737.35 O ATOM 56474 C3* U 02680 169.651 76.727 158.196 1.00737.35 C ATOM 56475 O3* U 02680 170.839 76.943 158.952 1.00737.35 O ATOM 56476 C2* U 02680 169.193 77.988 157.471 1.00737.35 C ATOM 56477 O2* U 02680 170.264 78.753 156.956 1.00737.35 O ATOM 56478 C1* U 02680 168.377 77.395 156.321 1.00737.35 C ATOM 56479 N1 U 02680 166.940 77.254 156.618 1.00737.35 N ATOM 56480 C2 U 02680 166.130 78.373 156.478 1.00737.35 C ATOM 56481 O2 U 02680 166.551 79.465 156.126 1.00737.35 O ATOM 56482 N3 U 02680 164.803 78.166 156.771 1.00737.35 N ATOM 56483 C4 U 02680 164.216 76.985 157.175 1.00737.35 C ATOM 56484 O4 U 02680 163.003 76.952 157.388 1.00737.35 O ATOM 56485 C5 U 02680 165.114 75.880 157.296 1.00737.35 C ATOM 56486 C6 U 02680 166.411 76.046 157.023 1.00737.35 C ATOM 56487 P A 02681 170.739 77.367 160.501 1.00737.35 P ATOM 56488 O1P A 02681 169.971 78.638 160.568 1.00737.35 O ATOM 56489 O2P A 02681 172.106 77.308 161.078 1.00737.35 O ATOM 56490 O5* A 02681 169.870 76.210 161.173 1.00737.35 O ATOM 56491 C5* A 02681 168.445 76.282 161.207 1.00737.35 C ATOM 56492 C4* A 02681 167.883 75.110 161.979 1.00737.35 C ATOM 56493 O4* A 02681 168.457 75.091 163.313 1.00737.35 O ATOM 56494 C3* A 02681 166.381 75.151 162.217 1.00737.35 C ATOM 56495 O3* A 02681 165.662 74.625 161.108 1.00737.35 O ATOM 56496 C2* A 02681 166.230 74.273 163.452 1.00737.35 C ATOM 56497 O2* A 02681 166.246 72.889 163.157 1.00737.35 O ATOM 56498 C1* A 02681 167.482 74.652 164.248 1.00737.35 C ATOM 56499 N9 A 02681 167.249 75.725 165.219 1.00737.35 N ATOM 56500 C8 A 02681 167.834 76.967 165.271 1.00737.35 C ATOM 56501 N7 A 02681 167.409 77.709 166.265 1.00737.35 N ATOM 56502 C5 A 02681 166.480 76.905 166.910 1.00737.35 C ATOM 56503 C6 A 02681 165.670 77.114 168.039 1.00737.35 C ATOM 56504 N6 A 02681 165.661 78.245 168.749 1.00737.35 N ATOM 56505 N1 A 02681 164.853 76.108 168.421 1.00737.35 N ATOM 56506 C2 A 02681 164.859 74.975 167.708 1.00737.35 C ATOM 56507 N3 A 02681 165.571 74.660 166.631 1.00737.35 N ATOM 56508 C4 A 02681 166.374 75.679 166.279 1.00737.35 C ATOM 56509 P C 02682 164.302 75.340 160.630 1.00737.35 P ATOM 56510 O1P C 02682 163.663 74.449 159.627 1.00737.35 O ATOM 56511 O2P C 02682 164.617 76.744 160.268 1.00737.35 O ATOM 56512 O5* C 02682 163.390 75.360 161.938 1.00737.35 O ATOM 56513 C5* C 02682 162.724 74.183 162.391 1.00737.35 C ATOM 56514 C4* C 02682 161.879 74.496 163.606 1.00737.35 C ATOM 56515 O4* C 02682 162.744 74.896 164.701 1.00737.35 O ATOM 56516 C3* C 02682 160.906 75.655 163.451 1.00737.35 C ATOM 56517 O3* C 02682 159.685 75.225 162.853 1.00737.35 O ATOM 56518 C2* C 02682 160.704 76.107 164.890 1.00737.35 C ATOM 56519 O2* C 02682 159.775 75.312 165.600 1.00737.35 O ATOM 56520 C1* C 02682 162.108 75.906 165.471 1.00737.35 C ATOM 56521 N1 C 02682 162.945 77.123 165.443 1.00737.35 N ATOM 56522 C2 C 02682 162.827 78.055 166.488 1.00737.35 C ATOM 56523 O2 C 02682 162.021 77.835 167.406 1.00737.35 O ATOM 56524 N3 C 02682 163.596 79.169 166.468 1.00737.35 N ATOM 56525 C4 C 02682 164.453 79.373 165.464 1.00737.35 C ATOM 56526 N4 C 02682 165.190 80.485 165.489 1.00737.35 N ATOM 56527 C5 C 02682 164.592 78.446 164.389 1.00737.35 C ATOM 56528 C6 C 02682 163.826 77.347 164.417 1.00737.35 C ATOM 56529 P C 02683 158.900 76.204 161.849 1.00737.35 P ATOM 56530 O1P C 02683 157.658 75.504 161.430 1.00737.35 O ATOM 56531 O2P C 02683 159.855 76.677 160.815 1.00737.35 O ATOM 56532 O5* C 02683 158.493 77.448 162.758 1.00737.35 O ATOM 56533 C5* C 02683 157.488 77.325 163.764 1.00737.35 C ATOM 56534 C4* C 02683 157.342 78.624 164.523 1.00737.35 C ATOM 56535 O4* C 02683 158.575 78.907 165.236 1.00737.35 O ATOM 56536 C3* C 02683 157.108 79.865 163.674 1.00737.35 C ATOM 56537 O3* C 02683 155.729 80.021 163.349 1.00737.35 O ATOM 56538 C2* C 02683 157.603 80.978 164.588 1.00737.35 C ATOM 56539 O2* C 02683 156.655 81.362 165.566 1.00737.35 O ATOM 56540 C1* C 02683 158.801 80.309 165.264 1.00737.35 C ATOM 56541 N1 C 02683 160.090 80.596 164.597 1.00737.35 N ATOM 56542 C2 C 02683 160.798 81.754 164.961 1.00737.35 C ATOM 56543 O2 C 02683 160.328 82.506 165.832 1.00737.35 O ATOM 56544 N3 C 02683 161.976 82.027 164.352 1.00737.35 N ATOM 56545 C4 C 02683 162.450 81.198 163.421 1.00737.35 C ATOM 56546 N4 C 02683 163.619 81.506 162.847 1.00737.35 N ATOM 56547 C5 C 02683 161.754 80.017 163.031 1.00737.35 C ATOM 56548 C6 C 02683 160.590 79.758 163.641 1.00737.35 C ATOM 56549 P A 02684 155.315 80.623 161.919 1.00737.35 P ATOM 56550 O1P A 02684 153.846 80.846 161.945 1.00737.35 O ATOM 56551 O2P A 02684 155.908 79.766 160.861 1.00737.35 O ATOM 56552 O5* A 02684 156.027 82.048 161.881 1.00737.35 O ATOM 56553 C5* A 02684 156.338 82.683 160.643 1.00737.35 C ATOM 56554 C4* A 02684 156.927 84.052 160.888 1.00737.35 C ATOM 56555 O4* A 02684 158.068 83.934 161.778 1.00737.35 O ATOM 56556 C3* A 02684 157.483 84.750 159.657 1.00737.35 C ATOM 56557 O3* A 02684 156.453 85.441 158.953 1.00737.35 O ATOM 56558 C2* A 02684 158.497 85.715 160.260 1.00737.35 C ATOM 56559 O2* A 02684 157.908 86.900 160.762 1.00737.35 O ATOM 56560 C1* A 02684 159.057 84.887 161.419 1.00737.35 C ATOM 56561 N9 A 02684 160.293 84.173 161.092 1.00737.35 N ATOM 56562 C8 A 02684 160.460 82.833 160.835 1.00737.35 C ATOM 56563 N7 A 02684 161.698 82.492 160.576 1.00737.35 N ATOM 56564 C5 A 02684 162.398 83.688 160.668 1.00737.35 C ATOM 56565 C6 A 02684 163.759 84.003 160.501 1.00737.35 C ATOM 56566 N6 A 02684 164.696 83.102 160.196 1.00737.35 N ATOM 56567 N1 A 02684 164.131 85.292 160.661 1.00737.35 N ATOM 56568 C2 A 02684 163.189 86.194 160.968 1.00737.35 C ATOM 56569 N3 A 02684 161.883 86.022 161.149 1.00737.35 N ATOM 56570 C4 A 02684 161.547 84.731 160.984 1.00737.35 C ATOM 56571 P A 02685 156.310 85.256 157.362 1.00737.35 P ATOM 56572 O1P A 02685 155.365 86.297 156.881 1.00737.35 O ATOM 56573 O2P A 02685 156.026 83.824 157.084 1.00737.35 O ATOM 56574 O5* A 02685 157.760 85.595 156.795 1.00737.35 O ATOM 56575 C5* A 02685 158.294 86.915 156.882 1.00737.35 C ATOM 56576 C4* A 02685 159.789 86.889 156.656 1.00737.35 C ATOM 56577 O4* A 02685 160.415 86.108 157.710 1.00737.35 O ATOM 56578 C3* A 02685 160.251 86.228 155.367 1.00737.35 C ATOM 56579 O3* A 02685 160.228 87.147 154.277 1.00737.35 O ATOM 56580 C2* A 02685 161.666 85.791 155.718 1.00737.35 C ATOM 56581 O2* A 02685 162.610 86.843 155.646 1.00737.35 O ATOM 56582 C1* A 02685 161.489 85.352 157.173 1.00737.35 C ATOM 56583 N9 A 02685 161.162 83.930 157.306 1.00737.35 N ATOM 56584 C8 A 02685 159.916 83.360 157.420 1.00737.35 C ATOM 56585 N7 A 02685 159.940 82.054 157.524 1.00737.35 N ATOM 56586 C5 A 02685 161.290 81.739 157.472 1.00737.35 C ATOM 56587 C6 A 02685 161.977 80.515 157.532 1.00737.35 C ATOM 56588 N6 A 02685 161.371 79.335 157.661 1.00737.35 N ATOM 56589 N1 A 02685 163.326 80.547 157.454 1.00737.35 N ATOM 56590 C2 A 02685 163.932 81.734 157.325 1.00737.35 C ATOM 56591 N3 A 02685 163.396 82.951 157.260 1.00737.35 N ATOM 56592 C4 A 02685 162.056 82.885 157.340 1.00737.35 C ATOM 56593 P C 02686 160.155 86.593 152.769 1.00737.35 P ATOM 56594 O1P C 02686 160.031 87.770 151.871 1.00737.35 O ATOM 56595 O2P C 02686 159.132 85.516 152.707 1.00737.35 O ATOM 56596 O5* C 02686 161.586 85.934 152.530 1.00737.35 O ATOM 56597 C5* C 02686 162.770 86.729 152.550 1.00737.35 C ATOM 56598 C4* C 02686 163.997 85.856 152.406 1.00737.35 C ATOM 56599 O4* C 02686 164.082 84.950 153.538 1.00737.35 O ATOM 56600 C3* C 02686 164.023 84.939 151.194 1.00737.35 C ATOM 56601 O3* C 02686 164.490 85.635 150.040 1.00737.35 O ATOM 56602 C2* C 02686 164.998 83.852 151.632 1.00737.35 C ATOM 56603 O2* C 02686 166.354 84.224 151.486 1.00737.35 O ATOM 56604 C1* C 02686 164.656 83.720 153.119 1.00737.35 C ATOM 56605 N1 C 02686 163.709 82.625 153.415 1.00737.35 N ATOM 56606 C2 C 02686 164.208 81.321 153.582 1.00737.35 C ATOM 56607 O2 C 02686 165.431 81.120 153.477 1.00737.35 O ATOM 56608 N3 C 02686 163.348 80.312 153.854 1.00737.35 N ATOM 56609 C4 C 02686 162.041 80.560 153.958 1.00737.35 C ATOM 56610 N4 C 02686 161.230 79.533 154.226 1.00737.35 N ATOM 56611 C5 C 02686 161.504 81.871 153.792 1.00737.35 C ATOM 56612 C6 C 02686 162.364 82.862 153.525 1.00737.35 C ATOM 56613 P G 02687 164.092 85.107 148.574 1.00737.35 P ATOM 56614 O1P G 02687 164.611 86.097 147.593 1.00737.35 O ATOM 56615 O2P G 02687 162.646 84.763 148.569 1.00737.35 O ATOM 56616 O5* G 02687 164.925 83.759 148.412 1.00737.35 O ATOM 56617 C5* G 02687 166.348 83.783 148.333 1.00737.35 C ATOM 56618 C4* G 02687 166.896 82.377 148.239 1.00737.35 C ATOM 56619 O4* G 02687 166.589 81.654 149.463 1.00737.35 O ATOM 56620 C3* G 02687 166.310 81.511 147.136 1.00737.35 C ATOM 56621 O3* G 02687 166.970 81.748 145.895 1.00737.35 O ATOM 56622 C2* G 02687 166.566 80.102 147.660 1.00737.35 C ATOM 56623 O2* G 02687 167.888 79.654 147.430 1.00737.35 O ATOM 56624 C1* G 02687 166.335 80.291 149.162 1.00737.35 C ATOM 56625 N9 G 02687 164.978 79.963 149.591 1.00737.35 N ATOM 56626 C8 G 02687 163.957 80.842 149.874 1.00737.35 C ATOM 56627 N7 G 02687 162.855 80.247 150.236 1.00737.35 N ATOM 56628 C5 G 02687 163.161 78.894 150.189 1.00737.35 C ATOM 56629 C6 G 02687 162.357 77.759 150.474 1.00737.35 C ATOM 56630 O6 G 02687 161.176 77.723 150.842 1.00737.35 O ATOM 56631 N1 G 02687 163.064 76.575 150.294 1.00737.35 N ATOM 56632 C2 G 02687 164.375 76.489 149.890 1.00737.35 C ATOM 56633 N2 G 02687 164.878 75.252 149.773 1.00737.35 N ATOM 56634 N3 G 02687 165.133 77.538 149.622 1.00737.35 N ATOM 56635 C4 G 02687 164.466 78.700 149.790 1.00737.35 C ATOM 56636 P G 02688 166.211 81.427 144.513 1.00737.35 P ATOM 56637 O1P G 02688 167.065 81.942 143.412 1.00737.35 O ATOM 56638 O2P G 02688 164.803 81.891 144.625 1.00737.35 O ATOM 56639 O5* G 02688 166.205 79.836 144.443 1.00737.35 O ATOM 56640 C5* G 02688 167.416 79.105 144.244 1.00737.35 C ATOM 56641 C4* G 02688 167.141 77.619 144.234 1.00737.35 C ATOM 56642 O4* G 02688 166.669 77.206 145.543 1.00737.35 O ATOM 56643 C3* G 02688 166.053 77.154 143.279 1.00737.35 C ATOM 56644 O3* G 02688 166.565 76.978 141.963 1.00737.35 O ATOM 56645 C2* G 02688 165.612 75.836 143.906 1.00737.35 C ATOM 56646 O2* G 02688 166.463 74.754 143.584 1.00737.35 O ATOM 56647 C1* G 02688 165.720 76.160 145.398 1.00737.35 C ATOM 56648 N9 G 02688 164.458 76.590 145.996 1.00737.35 N ATOM 56649 C8 G 02688 164.018 77.881 146.176 1.00737.35 C ATOM 56650 N7 G 02688 162.843 77.947 146.741 1.00737.35 N ATOM 56651 C5 G 02688 162.483 76.622 146.948 1.00737.35 C ATOM 56652 C6 G 02688 161.314 76.067 147.527 1.00737.35 C ATOM 56653 O6 G 02688 160.328 76.655 147.991 1.00737.35 O ATOM 56654 N1 G 02688 161.358 74.676 147.538 1.00737.35 N ATOM 56655 C2 G 02688 162.395 73.915 147.055 1.00737.35 C ATOM 56656 N2 G 02688 162.249 72.587 147.154 1.00737.35 N ATOM 56657 N3 G 02688 163.491 74.420 146.515 1.00737.35 N ATOM 56658 C4 G 02688 163.469 75.771 146.494 1.00737.35 C ATOM 56659 P C 02689 165.572 77.075 140.702 1.00737.35 P ATOM 56660 O1P C 02689 166.407 77.056 139.475 1.00737.35 O ATOM 56661 O2P C 02689 164.636 78.205 140.936 1.00737.35 O ATOM 56662 O5* C 02689 164.740 75.714 140.765 1.00737.35 O ATOM 56663 C5* C 02689 165.392 74.453 140.630 1.00737.35 C ATOM 56664 C4* C 02689 164.457 73.331 141.018 1.00737.35 C ATOM 56665 O4* C 02689 164.078 73.477 142.413 1.00737.35 O ATOM 56666 C3* C 02689 163.130 73.278 140.278 1.00737.35 C ATOM 56667 O3* C 02689 163.270 72.606 139.031 1.00737.35 O ATOM 56668 C2* C 02689 162.249 72.497 141.246 1.00737.35 C ATOM 56669 O2* C 02689 162.442 71.100 141.167 1.00737.35 O ATOM 56670 C1* C 02689 162.751 73.009 142.598 1.00737.35 C ATOM 56671 N1 C 02689 161.932 74.103 143.162 1.00737.35 N ATOM 56672 C2 C 02689 160.808 73.774 143.937 1.00737.35 C ATOM 56673 O2 C 02689 160.528 72.579 144.125 1.00737.35 O ATOM 56674 N3 C 02689 160.053 74.768 144.460 1.00737.35 N ATOM 56675 C4 C 02689 160.380 76.042 144.240 1.00737.35 C ATOM 56676 N4 C 02689 159.608 76.987 144.782 1.00737.35 N ATOM 56677 C5 C 02689 161.513 76.406 143.456 1.00737.35 C ATOM 56678 C6 C 02689 162.254 75.414 142.942 1.00737.35 C ATOM 56679 P A 02690 162.336 73.026 137.790 1.00737.35 P ATOM 56680 O1P A 02690 162.786 72.240 136.612 1.00737.35 O ATOM 56681 O2P A 02690 162.308 74.508 137.713 1.00737.35 O ATOM 56682 O5* A 02690 160.884 72.519 138.211 1.00737.35 O ATOM 56683 C5* A 02690 160.544 71.135 138.151 1.00737.35 C ATOM 56684 C4* A 02690 159.117 70.918 138.605 1.00737.35 C ATOM 56685 O4* A 02690 158.997 71.247 140.013 1.00737.35 O ATOM 56686 C3* A 02690 158.063 71.781 137.930 1.00737.35 C ATOM 56687 O3* A 02690 157.669 71.222 136.679 1.00737.35 O ATOM 56688 C2* A 02690 156.931 71.762 138.949 1.00737.35 C ATOM 56689 O2* A 02690 156.138 70.594 138.877 1.00737.35 O ATOM 56690 C1* A 02690 157.707 71.780 140.267 1.00737.35 C ATOM 56691 N9 A 02690 157.861 73.121 140.838 1.00737.35 N ATOM 56692 C8 A 02690 158.879 74.023 140.631 1.00737.35 C ATOM 56693 N7 A 02690 158.730 75.147 141.287 1.00737.35 N ATOM 56694 C5 A 02690 157.537 74.979 141.972 1.00737.35 C ATOM 56695 C6 A 02690 156.821 75.815 142.848 1.00737.35 C ATOM 56696 N6 A 02690 157.225 77.038 143.199 1.00737.35 N ATOM 56697 N1 A 02690 155.665 75.345 143.361 1.00737.35 N ATOM 56698 C2 A 02690 155.261 74.118 143.010 1.00737.35 C ATOM 56699 N3 A 02690 155.842 73.238 142.200 1.00737.35 N ATOM 56700 C4 A 02690 156.989 73.736 141.706 1.00737.35 C ATOM 56701 P C 02691 157.067 72.174 135.529 1.00737.35 P ATOM 56702 O1P C 02691 157.548 73.562 135.770 1.00737.35 O ATOM 56703 O2P C 02691 155.611 71.912 135.432 1.00737.35 O ATOM 56704 O5* C 02691 157.751 71.639 134.194 1.00737.35 O ATOM 56705 C5* C 02691 159.142 71.834 133.954 1.00737.35 C ATOM 56706 C4* C 02691 159.513 71.316 132.586 1.00737.35 C ATOM 56707 O4* C 02691 158.669 71.949 131.587 1.00737.35 O ATOM 56708 C3* C 02691 160.931 71.625 132.132 1.00737.35 C ATOM 56709 O3* C 02691 161.853 70.662 132.637 1.00737.35 O ATOM 56710 C2* C 02691 160.802 71.571 130.615 1.00737.35 C ATOM 56711 O2* C 02691 160.810 70.253 130.101 1.00737.35 O ATOM 56712 C1* C 02691 159.423 72.201 130.412 1.00737.35 C ATOM 56713 N1 C 02691 159.474 73.662 130.186 1.00737.35 N ATOM 56714 C2 C 02691 159.763 74.141 128.897 1.00737.35 C ATOM 56715 O2 C 02691 159.962 73.328 127.976 1.00737.35 O ATOM 56716 N3 C 02691 159.820 75.475 128.688 1.00737.35 N ATOM 56717 C4 C 02691 159.600 76.321 129.698 1.00737.35 C ATOM 56718 N4 C 02691 159.665 77.631 129.443 1.00737.35 N ATOM 56719 C5 C 02691 159.301 75.864 131.013 1.00737.35 C ATOM 56720 C6 C 02691 159.249 74.540 131.211 1.00737.35 C ATOM 56721 P A 02692 163.438 70.935 132.536 1.00737.35 P ATOM 56722 O1P A 02692 163.765 71.140 131.102 1.00737.35 O ATOM 56723 O2P A 02692 164.128 69.862 133.296 1.00737.35 O ATOM 56724 O5* A 02692 163.671 72.308 133.314 1.00737.35 O ATOM 56725 C5* A 02692 163.305 73.562 132.736 1.00737.35 C ATOM 56726 C4* A 02692 164.530 74.274 132.211 1.00737.35 C ATOM 56727 O4* A 02692 165.182 73.417 131.235 1.00737.35 O ATOM 56728 C3* A 02692 164.259 75.569 131.459 1.00737.35 C ATOM 56729 O3* A 02692 164.158 76.680 132.345 1.00737.35 O ATOM 56730 C2* A 02692 165.468 75.667 130.537 1.00737.35 C ATOM 56731 O2* A 02692 166.625 76.164 131.181 1.00737.35 O ATOM 56732 C1* A 02692 165.673 74.197 130.155 1.00737.35 C ATOM 56733 N9 A 02692 164.971 73.776 128.939 1.00737.35 N ATOM 56734 C8 A 02692 163.988 74.440 128.241 1.00737.35 C ATOM 56735 N7 A 02692 163.560 73.797 127.184 1.00737.35 N ATOM 56736 C5 A 02692 164.311 72.628 127.179 1.00737.35 C ATOM 56737 C6 A 02692 164.331 71.520 126.315 1.00737.35 C ATOM 56738 N6 A 02692 163.548 71.407 125.238 1.00737.35 N ATOM 56739 N1 A 02692 165.193 70.520 126.593 1.00737.35 N ATOM 56740 C2 A 02692 165.978 70.637 127.671 1.00737.35 C ATOM 56741 N3 A 02692 166.054 71.626 128.557 1.00737.35 N ATOM 56742 C4 A 02692 165.184 72.604 128.252 1.00737.35 C ATOM 56743 P U 02693 163.338 77.989 131.890 1.00737.35 P ATOM 56744 O1P U 02693 162.017 77.533 131.383 1.00737.35 O ATOM 56745 O2P U 02693 164.221 78.797 131.010 1.00737.35 O ATOM 56746 O5* U 02693 163.086 78.797 133.242 1.00737.35 O ATOM 56747 C5* U 02693 164.141 79.503 133.892 1.00737.35 C ATOM 56748 C4* U 02693 163.580 80.631 134.731 1.00737.35 C ATOM 56749 O4* U 02693 162.945 81.606 133.863 1.00737.35 O ATOM 56750 C3* U 02693 162.492 80.238 135.716 1.00737.35 C ATOM 56751 O3* U 02693 163.052 79.758 136.934 1.00737.35 O ATOM 56752 C2* U 02693 161.746 81.552 135.920 1.00737.35 C ATOM 56753 O2* U 02693 162.370 82.411 136.851 1.00737.35 O ATOM 56754 C1* U 02693 161.819 82.167 134.520 1.00737.35 C ATOM 56755 N1 U 02693 160.619 81.927 133.701 1.00737.35 N ATOM 56756 C2 U 02693 159.555 82.809 133.836 1.00737.35 C ATOM 56757 O2 U 02693 159.573 83.765 134.596 1.00737.35 O ATOM 56758 N3 U 02693 158.467 82.530 133.046 1.00737.35 N ATOM 56759 C4 U 02693 158.331 81.487 132.153 1.00737.35 C ATOM 56760 O4 U 02693 157.285 81.369 131.514 1.00737.35 O ATOM 56761 C5 U 02693 159.468 80.621 132.070 1.00737.35 C ATOM 56762 C6 U 02693 160.545 80.863 132.826 1.00737.35 C ATOM 56763 P G 02694 162.779 78.242 137.390 1.00737.35 P ATOM 56764 O1P G 02694 163.063 78.135 138.843 1.00737.35 O ATOM 56765 O2P G 02694 163.502 77.360 136.437 1.00737.35 O ATOM 56766 O5* G 02694 161.211 78.049 137.183 1.00737.35 O ATOM 56767 C5* G 02694 160.671 76.779 136.827 1.00737.35 C ATOM 56768 C4* G 02694 159.234 76.675 137.283 1.00737.35 C ATOM 56769 O4* G 02694 159.185 76.738 138.734 1.00737.35 O ATOM 56770 C3* G 02694 158.312 77.793 136.829 1.00737.35 C ATOM 56771 O3* G 02694 157.822 77.549 135.513 1.00737.35 O ATOM 56772 C2* G 02694 157.203 77.739 137.875 1.00737.35 C ATOM 56773 O2* G 02694 156.247 76.726 137.624 1.00737.35 O ATOM 56774 C1* G 02694 157.995 77.397 139.139 1.00737.35 C ATOM 56775 N9 G 02694 158.356 78.568 139.937 1.00737.35 N ATOM 56776 C8 G 02694 159.559 79.234 139.950 1.00737.35 C ATOM 56777 N7 G 02694 159.577 80.247 140.775 1.00737.35 N ATOM 56778 C5 G 02694 158.310 80.251 141.341 1.00737.35 C ATOM 56779 C6 G 02694 157.736 81.118 142.309 1.00737.35 C ATOM 56780 O6 G 02694 158.253 82.088 142.881 1.00737.35 O ATOM 56781 N1 G 02694 156.423 80.761 142.598 1.00737.35 N ATOM 56782 C2 G 02694 155.745 79.709 142.033 1.00737.35 C ATOM 56783 N2 G 02694 154.482 79.527 142.442 1.00737.35 N ATOM 56784 N3 G 02694 156.266 78.896 141.131 1.00737.35 N ATOM 56785 C4 G 02694 157.543 79.221 140.834 1.00737.35 C ATOM 56786 P C 02695 157.255 78.772 134.633 1.00737.35 P ATOM 56787 O1P C 02695 157.001 78.276 133.257 1.00737.35 O ATOM 56788 O2P C 02695 158.161 79.933 134.838 1.00737.35 O ATOM 56789 O5* C 02695 155.857 79.113 135.314 1.00737.35 O ATOM 56790 C5* C 02695 154.789 78.167 135.306 1.00737.35 C ATOM 56791 C4* C 02695 153.631 78.675 136.133 1.00737.35 C ATOM 56792 O4* C 02695 154.038 78.787 137.522 1.00737.35 O ATOM 56793 C3* C 02695 153.133 80.068 135.776 1.00737.35 C ATOM 56794 O3* C 02695 152.217 80.022 134.687 1.00737.35 O ATOM 56795 C2* C 02695 152.468 80.514 137.072 1.00737.35 C ATOM 56796 O2* C 02695 151.167 79.989 137.238 1.00737.35 O ATOM 56797 C1* C 02695 153.409 79.911 138.117 1.00737.35 C ATOM 56798 N1 C 02695 154.453 80.847 138.583 1.00737.35 N ATOM 56799 C2 C 02695 154.171 81.696 139.669 1.00737.35 C ATOM 56800 O2 C 02695 153.053 81.638 140.208 1.00737.35 O ATOM 56801 N3 C 02695 155.122 82.557 140.097 1.00737.35 N ATOM 56802 C4 C 02695 156.312 82.592 139.494 1.00737.35 C ATOM 56803 N4 C 02695 157.220 83.458 139.952 1.00737.35 N ATOM 56804 C5 C 02695 156.627 81.745 138.392 1.00737.35 C ATOM 56805 C6 C 02695 155.678 80.896 137.973 1.00737.35 C ATOM 56806 P A 02696 152.136 81.256 133.660 1.00737.35 P ATOM 56807 O1P A 02696 151.186 80.895 132.576 1.00737.35 O ATOM 56808 O2P A 02696 153.527 81.651 133.315 1.00737.35 O ATOM 56809 O5* A 02696 151.493 82.429 134.527 1.00737.35 O ATOM 56810 C5* A 02696 150.112 82.400 134.884 1.00737.35 C ATOM 56811 C4* A 02696 149.759 83.608 135.725 1.00737.35 C ATOM 56812 O4* A 02696 150.441 83.531 137.004 1.00737.35 O ATOM 56813 C3* A 02696 150.179 84.957 135.163 1.00737.35 C ATOM 56814 O3* A 02696 149.236 85.434 134.208 1.00737.35 O ATOM 56815 C2* A 02696 150.218 85.826 136.415 1.00737.35 C ATOM 56816 O2* A 02696 148.942 86.287 136.811 1.00737.35 O ATOM 56817 C1* A 02696 150.760 84.839 137.453 1.00737.35 C ATOM 56818 N9 A 02696 152.209 84.930 137.644 1.00737.35 N ATOM 56819 C8 A 02696 153.195 84.173 137.058 1.00737.35 C ATOM 56820 N7 A 02696 154.409 84.501 137.435 1.00737.35 N ATOM 56821 C5 A 02696 154.208 85.544 138.328 1.00737.35 C ATOM 56822 C6 A 02696 155.100 86.329 139.079 1.00737.35 C ATOM 56823 N6 A 02696 156.427 86.183 139.048 1.00737.35 N ATOM 56824 N1 A 02696 154.577 87.288 139.875 1.00737.35 N ATOM 56825 C2 A 02696 153.247 87.439 139.908 1.00737.35 C ATOM 56826 N3 A 02696 152.306 86.764 139.251 1.00737.35 N ATOM 56827 C4 A 02696 152.859 85.820 138.469 1.00737.35 C ATOM 56828 P G 02697 149.696 86.506 133.102 1.00737.35 P ATOM 56829 O1P G 02697 148.561 86.724 132.168 1.00737.35 O ATOM 56830 O2P G 02697 151.012 86.070 132.566 1.00737.35 O ATOM 56831 O5* G 02697 149.923 87.845 133.939 1.00737.35 O ATOM 56832 C5* G 02697 148.826 88.513 134.559 1.00737.35 C ATOM 56833 C4* G 02697 149.314 89.690 135.370 1.00737.35 C ATOM 56834 O4* G 02697 150.127 89.219 136.476 1.00737.35 O ATOM 56835 C3* G 02697 150.216 90.676 134.646 1.00737.35 C ATOM 56836 O3* G 02697 149.453 91.606 133.883 1.00737.35 O ATOM 56837 C2* G 02697 150.949 91.349 135.802 1.00737.35 C ATOM 56838 O2* G 02697 150.193 92.366 136.426 1.00737.35 O ATOM 56839 C1* G 02697 151.135 90.175 136.768 1.00737.35 C ATOM 56840 N9 G 02697 152.442 89.531 136.657 1.00737.35 N ATOM 56841 C8 G 02697 152.762 88.405 135.931 1.00737.35 C ATOM 56842 N7 G 02697 154.021 88.071 136.029 1.00737.35 N ATOM 56843 C5 G 02697 154.565 89.034 136.868 1.00737.35 C ATOM 56844 C6 G 02697 155.896 89.193 137.342 1.00737.35 C ATOM 56845 O6 G 02697 156.890 88.495 137.104 1.00737.35 O ATOM 56846 N1 G 02697 156.013 90.303 138.173 1.00737.35 N ATOM 56847 C2 G 02697 154.985 91.150 138.509 1.00737.35 C ATOM 56848 N2 G 02697 155.301 92.165 139.326 1.00737.35 N ATOM 56849 N3 G 02697 153.744 91.012 138.077 1.00737.35 N ATOM 56850 C4 G 02697 153.606 89.940 137.268 1.00737.35 C ATOM 56851 P G 02698 150.128 92.356 132.632 1.00737.35 P ATOM 56852 O1P G 02698 149.071 93.128 131.930 1.00737.35 O ATOM 56853 O2P G 02698 150.928 91.356 131.878 1.00737.35 O ATOM 56854 O5* G 02698 151.139 93.387 133.308 1.00737.35 O ATOM 56855 C5* G 02698 150.656 94.481 134.084 1.00737.35 C ATOM 56856 C4* G 02698 151.807 95.257 134.681 1.00737.35 C ATOM 56857 O4* G 02698 152.519 94.422 135.631 1.00737.35 O ATOM 56858 C3* G 02698 152.881 95.715 133.707 1.00737.35 C ATOM 56859 O3* G 02698 152.502 96.935 133.079 1.00737.35 O ATOM 56860 C2* G 02698 154.085 95.906 134.624 1.00737.35 C ATOM 56861 O2* G 02698 154.068 97.150 135.293 1.00737.35 O ATOM 56862 C1* G 02698 153.894 94.773 135.636 1.00737.35 C ATOM 56863 N9 G 02698 154.687 93.577 135.351 1.00737.35 N ATOM 56864 C8 G 02698 154.278 92.446 134.685 1.00737.35 C ATOM 56865 N7 G 02698 155.212 91.540 134.591 1.00737.35 N ATOM 56866 C5 G 02698 156.305 92.104 135.235 1.00737.35 C ATOM 56867 C6 G 02698 157.611 91.587 135.455 1.00737.35 C ATOM 56868 O6 G 02698 158.074 90.493 135.112 1.00737.35 O ATOM 56869 N1 G 02698 158.408 92.491 136.147 1.00737.35 N ATOM 56870 C2 G 02698 158.008 93.733 136.576 1.00737.35 C ATOM 56871 N2 G 02698 158.929 94.457 137.229 1.00737.35 N ATOM 56872 N3 G 02698 156.794 94.224 136.381 1.00737.35 N ATOM 56873 C4 G 02698 156.001 93.362 135.708 1.00737.35 C ATOM 56874 P G 02699 153.112 97.319 131.639 1.00737.35 P ATOM 56875 O1P G 02699 152.464 98.585 131.212 1.00737.35 O ATOM 56876 O2P G 02699 153.034 96.125 130.759 1.00737.35 O ATOM 56877 O5* G 02699 154.648 97.620 131.936 1.00737.35 O ATOM 56878 C5* G 02699 155.039 98.720 132.756 1.00737.35 C ATOM 56879 C4* G 02699 156.486 98.578 133.171 1.00737.35 C ATOM 56880 O4* G 02699 156.636 97.362 133.950 1.00737.35 O ATOM 56881 C3* G 02699 157.482 98.428 132.031 1.00737.35 C ATOM 56882 O3* G 02699 157.899 99.704 131.550 1.00737.35 O ATOM 56883 C2* G 02699 158.629 97.675 132.696 1.00737.35 C ATOM 56884 O2* G 02699 159.484 98.514 133.450 1.00737.35 O ATOM 56885 C1* G 02699 157.869 96.737 133.635 1.00737.35 C ATOM 56886 N9 G 02699 157.588 95.430 133.046 1.00737.35 N ATOM 56887 C8 G 02699 156.433 95.036 132.409 1.00737.35 C ATOM 56888 N7 G 02699 156.476 93.803 131.984 1.00737.35 N ATOM 56889 C5 G 02699 157.733 93.353 132.362 1.00737.35 C ATOM 56890 C6 G 02699 158.349 92.089 132.174 1.00737.35 C ATOM 56891 O6 G 02699 157.895 91.085 131.616 1.00737.35 O ATOM 56892 N1 G 02699 159.631 92.061 132.711 1.00737.35 N ATOM 56893 C2 G 02699 160.243 93.112 133.352 1.00737.35 C ATOM 56894 N2 G 02699 161.486 92.887 133.802 1.00737.35 N ATOM 56895 N3 G 02699 159.680 94.293 133.535 1.00737.35 N ATOM 56896 C4 G 02699 158.433 94.344 133.018 1.00737.35 C ATOM 56897 P U 02700 158.338 99.876 130.011 1.00737.35 P ATOM 56898 O1P U 02700 157.362 100.800 129.379 1.00737.35 O ATOM 56899 O2P U 02700 158.569 98.536 129.415 1.00737.35 O ATOM 56900 O5* U 02700 159.744 100.625 130.099 1.00737.35 O ATOM 56901 C5* U 02700 159.845 101.937 130.650 1.00737.35 C ATOM 56902 C4* U 02700 161.221 102.151 131.241 1.00737.35 C ATOM 56903 O4* U 02700 161.420 101.225 132.340 1.00737.35 O ATOM 56904 C3* U 02700 162.393 101.888 130.309 1.00737.35 C ATOM 56905 O3* U 02700 162.672 103.028 129.502 1.00737.35 O ATOM 56906 C2* U 02700 163.523 101.592 131.288 1.00737.35 C ATOM 56907 O2* U 02700 164.103 102.756 131.838 1.00737.35 O ATOM 56908 C1* U 02700 162.779 100.818 132.380 1.00737.35 C ATOM 56909 N1 U 02700 162.841 99.355 132.213 1.00737.35 N ATOM 56910 C2 U 02700 163.889 98.675 132.819 1.00737.35 C ATOM 56911 O2 U 02700 164.753 99.233 133.480 1.00737.35 O ATOM 56912 N3 U 02700 163.889 97.318 132.621 1.00737.35 N ATOM 56913 C4 U 02700 162.973 96.580 131.897 1.00737.35 C ATOM 56914 O4 U 02700 163.110 95.360 131.813 1.00737.35 O ATOM 56915 C5 U 02700 161.924 97.350 131.305 1.00737.35 C ATOM 56916 C6 U 02700 161.894 98.674 131.477 1.00737.35 C ATOM 56917 P A 02701 163.124 102.832 127.972 1.00737.35 P ATOM 56918 O1P A 02701 163.228 104.186 127.368 1.00737.35 O ATOM 56919 O2P A 02701 162.241 101.815 127.345 1.00737.35 O ATOM 56920 O5* A 02701 164.592 102.217 128.078 1.00737.35 O ATOM 56921 C5* A 02701 165.711 103.034 128.415 1.00737.35 C ATOM 56922 C4* A 02701 166.999 102.263 128.234 1.00737.35 C ATOM 56923 O4* A 02701 167.031 101.155 129.173 1.00737.35 O ATOM 56924 C3* A 02701 167.192 101.612 126.872 1.00737.35 C ATOM 56925 O3* A 02701 167.754 102.527 125.937 1.00737.35 O ATOM 56926 C2* A 02701 168.152 100.472 127.190 1.00737.35 C ATOM 56927 O2* A 02701 169.500 100.889 127.288 1.00737.35 O ATOM 56928 C1* A 02701 167.644 100.029 128.565 1.00737.35 C ATOM 56929 N9 A 02701 166.662 98.941 128.504 1.00737.35 N ATOM 56930 C8 A 02701 165.343 98.969 128.891 1.00737.35 C ATOM 56931 N7 A 02701 164.715 97.835 128.710 1.00737.35 N ATOM 56932 C5 A 02701 165.681 97.001 128.168 1.00737.35 C ATOM 56933 C6 A 02701 165.644 95.660 127.748 1.00737.35 C ATOM 56934 N6 A 02701 164.550 94.897 127.813 1.00737.35 N ATOM 56935 N1 A 02701 166.780 95.125 127.252 1.00737.35 N ATOM 56936 C2 A 02701 167.873 95.894 127.185 1.00737.35 C ATOM 56937 N3 A 02701 168.032 97.165 127.545 1.00737.35 N ATOM 56938 C4 A 02701 166.886 97.667 128.034 1.00737.35 C ATOM 56939 P G 02702 167.308 102.465 124.393 1.00737.35 P ATOM 56940 O1P G 02702 168.192 103.394 123.641 1.00737.35 O ATOM 56941 O2P G 02702 165.835 102.637 124.323 1.00737.35 O ATOM 56942 O5* G 02702 167.655 100.974 123.947 1.00737.35 O ATOM 56943 C5* G 02702 169.007 100.530 123.855 1.00737.35 C ATOM 56944 C4* G 02702 169.054 99.059 123.505 1.00737.35 C ATOM 56945 O4* G 02702 168.440 98.291 124.574 1.00737.35 O ATOM 56946 C3* G 02702 168.282 98.649 122.260 1.00737.35 C ATOM 56947 O3* G 02702 169.052 98.850 121.080 1.00737.35 O ATOM 56948 C2* G 02702 168.015 97.171 122.518 1.00737.35 C ATOM 56949 O2* G 02702 169.122 96.344 122.218 1.00737.35 O ATOM 56950 C1* G 02702 167.760 97.170 124.027 1.00737.35 C ATOM 56951 N9 G 02702 166.342 97.273 124.369 1.00737.35 N ATOM 56952 C8 G 02702 165.630 98.421 124.633 1.00737.35 C ATOM 56953 N7 G 02702 164.373 98.193 124.906 1.00737.35 N ATOM 56954 C5 G 02702 164.248 96.813 124.817 1.00737.35 C ATOM 56955 C6 G 02702 163.116 95.979 125.011 1.00737.35 C ATOM 56956 O6 G 02702 161.959 96.305 125.310 1.00737.35 O ATOM 56957 N1 G 02702 163.430 94.637 124.824 1.00737.35 N ATOM 56958 C2 G 02702 164.672 94.156 124.493 1.00737.35 C ATOM 56959 N2 G 02702 164.775 92.827 124.354 1.00737.35 N ATOM 56960 N3 G 02702 165.736 94.920 124.309 1.00737.35 N ATOM 56961 C4 G 02702 165.453 96.230 124.486 1.00737.35 C ATOM 56962 P C 02703 168.309 99.158 119.687 1.00737.35 P ATOM 56963 O1P C 02703 169.359 99.257 118.639 1.00737.35 O ATOM 56964 O2P C 02703 167.374 100.291 119.896 1.00737.35 O ATOM 56965 O5* C 02703 167.447 97.845 119.412 1.00737.35 O ATOM 56966 C5* C 02703 168.080 96.604 119.104 1.00737.35 C ATOM 56967 C4* C 02703 167.046 95.520 118.890 1.00737.35 C ATOM 56968 O4* C 02703 166.339 95.267 120.133 1.00737.35 O ATOM 56969 C3* C 02703 165.945 95.838 117.890 1.00737.35 C ATOM 56970 O3* C 02703 166.377 95.577 116.559 1.00737.35 O ATOM 56971 C2* C 02703 164.831 94.894 118.331 1.00737.35 C ATOM 56972 O2* C 02703 164.998 93.575 117.850 1.00737.35 O ATOM 56973 C1* C 02703 164.991 94.916 119.852 1.00737.35 C ATOM 56974 N1 C 02703 164.097 95.876 120.531 1.00737.35 N ATOM 56975 C2 C 02703 162.792 95.469 120.869 1.00737.35 C ATOM 56976 O2 C 02703 162.424 94.316 120.589 1.00737.35 O ATOM 56977 N3 C 02703 161.970 96.345 121.491 1.00737.35 N ATOM 56978 C4 C 02703 162.396 97.577 121.777 1.00737.35 C ATOM 56979 N4 C 02703 161.550 98.404 122.393 1.00737.35 N ATOM 56980 C5 C 02703 163.713 98.015 121.447 1.00737.35 C ATOM 56981 C6 C 02703 164.519 97.144 120.830 1.00737.35 C ATOM 56982 P U 02704 165.745 96.412 115.336 1.00737.35 P ATOM 56983 O1P U 02704 166.622 96.192 114.158 1.00737.35 O ATOM 56984 O2P U 02704 165.468 97.797 115.794 1.00737.35 O ATOM 56985 O5* U 02704 164.350 95.692 115.060 1.00737.35 O ATOM 56986 C5* U 02704 164.301 94.386 114.490 1.00737.35 C ATOM 56987 C4* U 02704 162.883 93.858 114.494 1.00737.35 C ATOM 56988 O4* U 02704 162.422 93.729 115.864 1.00737.35 O ATOM 56989 C3* U 02704 161.837 94.738 113.823 1.00737.35 C ATOM 56990 O3* U 02704 161.818 94.512 112.414 1.00737.35 O ATOM 56991 C2* U 02704 160.549 94.282 114.501 1.00737.35 C ATOM 56992 O2* U 02704 160.012 93.100 113.938 1.00737.35 O ATOM 56993 C1* U 02704 161.031 94.002 115.928 1.00737.35 C ATOM 56994 N1 U 02704 160.807 95.116 116.867 1.00737.35 N ATOM 56995 C2 U 02704 159.575 95.191 117.500 1.00737.35 C ATOM 56996 O2 U 02704 158.675 94.385 117.310 1.00737.35 O ATOM 56997 N3 U 02704 159.432 96.247 118.364 1.00737.35 N ATOM 56998 C4 U 02704 160.368 97.215 118.657 1.00737.35 C ATOM 56999 O4 U 02704 160.090 98.100 119.468 1.00737.35 O ATOM 57000 C5 U 02704 161.609 97.076 117.962 1.00737.35 C ATOM 57001 C6 U 02704 161.784 96.058 117.114 1.00737.35 C ATOM 57002 P A 02705 160.862 95.400 111.473 1.00737.35 P ATOM 57003 O1P A 02705 161.195 95.062 110.064 1.00737.35 O ATOM 57004 O2P A 02705 160.927 96.816 111.922 1.00737.35 O ATOM 57005 O5* A 02705 159.406 94.837 111.781 1.00737.35 O ATOM 57006 C5* A 02705 158.237 95.516 111.330 1.00737.35 C ATOM 57007 C4* A 02705 157.068 95.182 112.228 1.00737.35 C ATOM 57008 O4* A 02705 157.414 95.508 113.599 1.00737.35 O ATOM 57009 C3* A 02705 155.783 95.950 111.954 1.00737.35 C ATOM 57010 O3* A 02705 155.024 95.281 110.951 1.00737.35 O ATOM 57011 C2* A 02705 155.085 95.912 113.310 1.00737.35 C ATOM 57012 O2* A 02705 154.396 94.701 113.530 1.00737.35 O ATOM 57013 C1* A 02705 156.271 96.001 114.277 1.00737.35 C ATOM 57014 N9 A 02705 156.568 97.350 114.769 1.00737.35 N ATOM 57015 C8 A 02705 157.675 98.119 114.499 1.00737.35 C ATOM 57016 N7 A 02705 157.674 99.279 115.106 1.00737.35 N ATOM 57017 C5 A 02705 156.483 99.281 115.821 1.00737.35 C ATOM 57018 C6 A 02705 155.897 100.228 116.676 1.00737.35 C ATOM 57019 N6 A 02705 156.463 101.401 116.976 1.00737.35 N ATOM 57020 N1 A 02705 154.698 99.925 117.222 1.00737.35 N ATOM 57021 C2 A 02705 154.145 98.742 116.933 1.00737.35 C ATOM 57022 N3 A 02705 154.601 97.765 116.154 1.00737.35 N ATOM 57023 C4 A 02705 155.789 98.100 115.619 1.00737.35 C ATOM 57024 P U 02706 153.756 96.010 110.275 1.00737.35 P ATOM 57025 O1P U 02706 153.436 95.260 109.033 1.00737.35 O ATOM 57026 O2P U 02706 154.028 97.468 110.200 1.00737.35 O ATOM 57027 O5* U 02706 152.570 95.770 111.314 1.00737.35 O ATOM 57028 C5* U 02706 151.243 96.209 111.019 1.00737.35 C ATOM 57029 C4* U 02706 150.486 96.512 112.294 1.00737.35 C ATOM 57030 O4* U 02706 150.178 95.284 113.003 1.00737.35 O ATOM 57031 C3* U 02706 151.229 97.356 113.316 1.00737.35 C ATOM 57032 O3* U 02706 151.131 98.742 113.011 1.00737.35 O ATOM 57033 C2* U 02706 150.497 97.017 114.610 1.00737.35 C ATOM 57034 O2* U 02706 149.306 97.760 114.786 1.00737.35 O ATOM 57035 C1* U 02706 150.158 95.537 114.401 1.00737.35 C ATOM 57036 N1 U 02706 151.069 94.592 115.075 1.00737.35 N ATOM 57037 C2 U 02706 151.157 94.646 116.463 1.00737.35 C ATOM 57038 O2 U 02706 150.521 95.435 117.145 1.00737.35 O ATOM 57039 N3 U 02706 152.016 93.734 117.025 1.00737.35 N ATOM 57040 C4 U 02706 152.780 92.793 116.367 1.00737.35 C ATOM 57041 O4 U 02706 153.516 92.047 117.015 1.00737.35 O ATOM 57042 C5 U 02706 152.635 92.798 114.944 1.00737.35 C ATOM 57043 C6 U 02706 151.809 93.672 114.362 1.00737.35 C ATOM 57044 P G 02707 152.465 99.636 112.936 1.00737.35 P ATOM 57045 O1P G 02707 152.987 99.577 111.548 1.00737.35 O ATOM 57046 O2P G 02707 153.343 99.236 114.064 1.00737.35 O ATOM 57047 O5* G 02707 151.958 101.119 113.209 1.00737.35 O ATOM 57048 C5* G 02707 151.313 101.466 114.434 1.00737.35 C ATOM 57049 C4* G 02707 152.050 102.601 115.108 1.00737.35 C ATOM 57050 O4* G 02707 153.345 102.131 115.570 1.00737.35 O ATOM 57051 C3* G 02707 152.364 103.788 114.210 1.00737.35 C ATOM 57052 O3* G 02707 151.265 104.691 114.158 1.00737.35 O ATOM 57053 C2* G 02707 153.588 104.395 114.887 1.00737.35 C ATOM 57054 O2* G 02707 153.264 105.214 115.993 1.00737.35 O ATOM 57055 C1* G 02707 154.322 103.139 115.368 1.00737.35 C ATOM 57056 N9 G 02707 155.315 102.630 114.425 1.00737.35 N ATOM 57057 C8 G 02707 155.118 101.677 113.456 1.00737.35 C ATOM 57058 N7 G 02707 156.196 101.406 112.772 1.00737.35 N ATOM 57059 C5 G 02707 157.166 102.236 113.319 1.00737.35 C ATOM 57060 C6 G 02707 158.534 102.385 112.986 1.00737.35 C ATOM 57061 O6 G 02707 159.186 101.791 112.118 1.00737.35 O ATOM 57062 N1 G 02707 159.153 103.339 113.789 1.00737.35 N ATOM 57063 C2 G 02707 158.536 104.057 114.784 1.00737.35 C ATOM 57064 N2 G 02707 159.306 104.935 115.447 1.00737.35 N ATOM 57065 N3 G 02707 157.258 103.924 115.106 1.00737.35 N ATOM 57066 C4 G 02707 156.637 103.003 114.336 1.00737.35 C ATOM 57067 P U 02708 151.026 105.582 112.843 1.00737.35 P ATOM 57068 O1P U 02708 149.789 106.382 113.045 1.00737.35 O ATOM 57069 O2P U 02708 151.131 104.687 111.663 1.00737.35 O ATOM 57070 O5* U 02708 152.269 106.576 112.826 1.00737.35 O ATOM 57071 C5* U 02708 152.465 107.520 113.876 1.00737.35 C ATOM 57072 C4* U 02708 153.838 108.144 113.775 1.00737.35 C ATOM 57073 O4* U 02708 154.852 107.127 113.991 1.00737.35 O ATOM 57074 C3* U 02708 154.197 108.746 112.428 1.00737.35 C ATOM 57075 O3* U 02708 153.668 110.063 112.304 1.00737.35 O ATOM 57076 C2* U 02708 155.722 108.737 112.467 1.00737.35 C ATOM 57077 O2* U 02708 156.268 109.820 113.195 1.00737.35 O ATOM 57078 C1* U 02708 155.999 107.425 113.208 1.00737.35 C ATOM 57079 N1 U 02708 156.275 106.288 112.315 1.00737.35 N ATOM 57080 C2 U 02708 157.594 106.067 111.935 1.00737.35 C ATOM 57081 O2 U 02708 158.521 106.767 112.308 1.00737.35 O ATOM 57082 N3 U 02708 157.784 104.992 111.099 1.00737.35 N ATOM 57083 C4 U 02708 156.817 104.134 110.614 1.00737.35 C ATOM 57084 O4 U 02708 157.149 103.206 109.874 1.00737.35 O ATOM 57085 C5 U 02708 155.486 104.426 111.049 1.00737.35 C ATOM 57086 C6 U 02708 155.266 105.464 111.862 1.00737.35 C ATOM 57087 P C 02709 153.391 110.676 110.843 1.00737.35 P ATOM 57088 O1P C 02709 152.690 111.975 111.015 1.00737.35 O ATOM 57089 O2P C 02709 152.769 109.614 110.013 1.00737.35 O ATOM 57090 O5* C 02709 154.849 110.964 110.269 1.00737.35 O ATOM 57091 C5* C 02709 155.691 111.943 110.873 1.00737.35 C ATOM 57092 C4* C 02709 157.094 111.851 110.318 1.00737.35 C ATOM 57093 O4* C 02709 157.676 110.567 110.672 1.00737.35 O ATOM 57094 C3* C 02709 157.218 111.906 108.803 1.00737.35 C ATOM 57095 O3* C 02709 157.192 113.249 108.333 1.00737.35 O ATOM 57096 C2* C 02709 158.569 111.243 108.570 1.00737.35 C ATOM 57097 O2* C 02709 159.663 112.113 108.788 1.00737.35 O ATOM 57098 C1* C 02709 158.561 110.147 109.644 1.00737.35 C ATOM 57099 N1 C 02709 158.118 108.834 109.136 1.00737.35 N ATOM 57100 C2 C 02709 159.076 107.965 108.581 1.00737.35 C ATOM 57101 O2 C 02709 160.268 108.320 108.540 1.00737.35 O ATOM 57102 N3 C 02709 158.679 106.763 108.106 1.00737.35 N ATOM 57103 C4 C 02709 157.392 106.411 108.166 1.00737.35 C ATOM 57104 N4 C 02709 157.051 105.217 107.678 1.00737.35 N ATOM 57105 C5 C 02709 156.401 107.269 108.724 1.00737.35 C ATOM 57106 C6 C 02709 156.804 108.458 109.192 1.00737.35 C ATOM 57107 P C 02710 156.727 113.557 106.825 1.00737.35 P ATOM 57108 O1P C 02710 156.669 115.031 106.652 1.00737.35 O ATOM 57109 O2P C 02710 155.518 112.738 106.545 1.00737.35 O ATOM 57110 O5* C 02710 157.920 112.993 105.934 1.00737.35 O ATOM 57111 C5* C 02710 159.230 113.548 106.035 1.00737.35 C ATOM 57112 C4* C 02710 160.237 112.670 105.329 1.00737.35 C ATOM 57113 O4* C 02710 160.275 111.366 105.965 1.00737.35 O ATOM 57114 C3* C 02710 159.944 112.355 103.869 1.00737.35 C ATOM 57115 O3* C 02710 160.378 113.413 103.022 1.00737.35 O ATOM 57116 C2* C 02710 160.751 111.080 103.648 1.00737.35 C ATOM 57117 O2* C 02710 162.125 111.321 103.419 1.00737.35 O ATOM 57118 C1* C 02710 160.574 110.372 104.995 1.00737.35 C ATOM 57119 N1 C 02710 159.495 109.360 104.991 1.00737.35 N ATOM 57120 C2 C 02710 159.794 108.058 104.557 1.00737.35 C ATOM 57121 O2 C 02710 160.953 107.791 104.192 1.00737.35 O ATOM 57122 N3 C 02710 158.812 107.127 104.542 1.00737.35 N ATOM 57123 C4 C 02710 157.580 107.448 104.936 1.00737.35 C ATOM 57124 N4 C 02710 156.645 106.494 104.903 1.00737.35 N ATOM 57125 C5 C 02710 157.247 108.762 105.383 1.00737.35 C ATOM 57126 C6 C 02710 158.227 109.677 105.394 1.00737.35 C ATOM 57127 P G 02711 159.705 113.603 101.574 1.00737.35 P ATOM 57128 O1P G 02711 160.300 114.822 100.965 1.00737.35 O ATOM 57129 O2P G 02711 158.231 113.500 101.720 1.00737.35 O ATOM 57130 O5* G 02711 160.212 112.337 100.745 1.00737.35 O ATOM 57131 C5* G 02711 161.603 112.124 100.515 1.00737.35 C ATOM 57132 C4* G 02711 161.823 110.822 99.780 1.00737.35 C ATOM 57133 O4* G 02711 161.368 109.717 100.604 1.00737.35 O ATOM 57134 C3* G 02711 161.048 110.659 98.482 1.00737.35 C ATOM 57135 O3* G 02711 161.746 111.270 97.402 1.00737.35 O ATOM 57136 C2* G 02711 161.001 109.143 98.320 1.00737.35 C ATOM 57137 O2* G 02711 162.178 108.610 97.741 1.00737.35 O ATOM 57138 C1* G 02711 160.888 108.673 99.773 1.00737.35 C ATOM 57139 N9 G 02711 159.531 108.324 100.185 1.00737.35 N ATOM 57140 C8 G 02711 158.601 109.141 100.786 1.00737.35 C ATOM 57141 N7 G 02711 157.474 108.532 101.043 1.00737.35 N ATOM 57142 C5 G 02711 157.669 107.236 100.583 1.00737.35 C ATOM 57143 C6 G 02711 156.796 106.115 100.591 1.00737.35 C ATOM 57144 O6 G 02711 155.639 106.037 101.023 1.00737.35 O ATOM 57145 N1 G 02711 157.399 104.997 100.021 1.00737.35 N ATOM 57146 C2 G 02711 158.672 104.958 99.512 1.00737.35 C ATOM 57147 N2 G 02711 159.073 103.781 99.005 1.00737.35 N ATOM 57148 N3 G 02711 159.495 105.993 99.502 1.00737.35 N ATOM 57149 C4 G 02711 158.933 107.092 100.047 1.00737.35 C ATOM 57150 P G 02712 161.065 112.476 96.587 1.00737.35 P ATOM 57151 O1P G 02712 161.508 113.741 97.227 1.00737.35 O ATOM 57152 O2P G 02712 159.611 112.197 96.446 1.00737.35 O ATOM 57153 O5* G 02712 161.750 112.388 95.149 1.00737.35 O ATOM 57154 C5* G 02712 161.028 111.895 94.021 1.00737.35 C ATOM 57155 C4* G 02712 161.371 110.446 93.773 1.00737.35 C ATOM 57156 O4* G 02712 161.137 109.689 94.990 1.00737.35 O ATOM 57157 C3* G 02712 160.520 109.755 92.721 1.00737.35 C ATOM 57158 O3* G 02712 161.061 109.957 91.418 1.00737.35 O ATOM 57159 C2* G 02712 160.601 108.293 93.142 1.00737.35 C ATOM 57160 O2* G 02712 161.789 107.658 92.714 1.00737.35 O ATOM 57161 C1* G 02712 160.600 108.417 94.667 1.00737.35 C ATOM 57162 N9 G 02712 159.272 108.310 95.267 1.00737.35 N ATOM 57163 C8 G 02712 158.399 109.337 95.540 1.00737.35 C ATOM 57164 N7 G 02712 157.286 108.933 96.087 1.00737.35 N ATOM 57165 C5 G 02712 157.427 107.555 96.179 1.00737.35 C ATOM 57166 C6 G 02712 156.543 106.572 96.692 1.00737.35 C ATOM 57167 O6 G 02712 155.420 106.729 97.186 1.00737.35 O ATOM 57168 N1 G 02712 157.084 105.296 96.591 1.00737.35 N ATOM 57169 C2 G 02712 158.317 104.999 96.068 1.00737.35 C ATOM 57170 N2 G 02712 158.660 103.702 96.058 1.00737.35 N ATOM 57171 N3 G 02712 159.154 105.905 95.590 1.00737.35 N ATOM 57172 C4 G 02712 158.648 107.154 95.676 1.00737.35 C ATOM 57173 P A 02713 160.088 110.346 90.198 1.00737.35 P ATOM 57174 O1P A 02713 158.882 109.484 90.287 1.00737.35 O ATOM 57175 O2P A 02713 160.898 110.343 88.954 1.00737.35 O ATOM 57176 O5* A 02713 159.671 111.854 90.506 1.00737.35 O ATOM 57177 C5* A 02713 158.400 112.168 91.079 1.00737.35 C ATOM 57178 C4* A 02713 158.345 113.630 91.457 1.00737.35 C ATOM 57179 O4* A 02713 159.314 113.889 92.507 1.00737.35 O ATOM 57180 C3* A 02713 158.710 114.610 90.350 1.00737.35 C ATOM 57181 O3* A 02713 157.581 114.899 89.530 1.00737.35 O ATOM 57182 C2* A 02713 159.180 115.828 91.137 1.00737.35 C ATOM 57183 O2* A 02713 158.113 116.628 91.609 1.00737.35 O ATOM 57184 C1* A 02713 159.898 115.168 92.318 1.00737.35 C ATOM 57185 N9 A 02713 161.336 114.988 92.103 1.00737.35 N ATOM 57186 C8 A 02713 161.963 114.029 91.344 1.00737.35 C ATOM 57187 N7 A 02713 163.270 114.125 91.348 1.00737.35 N ATOM 57188 C5 A 02713 163.523 115.220 92.161 1.00737.35 C ATOM 57189 C6 A 02713 164.717 115.840 92.569 1.00737.35 C ATOM 57190 N6 A 02713 165.932 115.425 92.195 1.00737.35 N ATOM 57191 N1 A 02713 164.623 116.911 93.386 1.00737.35 N ATOM 57192 C2 A 02713 163.406 117.324 93.761 1.00737.35 C ATOM 57193 N3 A 02713 162.213 116.827 93.445 1.00737.35 N ATOM 57194 C4 A 02713 162.341 115.763 92.634 1.00737.35 C ATOM 57195 P A 02714 157.802 115.315 87.993 1.00737.35 P ATOM 57196 O1P A 02714 156.456 115.438 87.374 1.00737.35 O ATOM 57197 O2P A 02714 158.802 114.397 87.391 1.00737.35 O ATOM 57198 O5* A 02714 158.444 116.771 88.076 1.00737.35 O ATOM 57199 C5* A 02714 157.679 117.887 88.528 1.00737.35 C ATOM 57200 C4* A 02714 158.559 119.110 88.662 1.00737.35 C ATOM 57201 O4* A 02714 159.554 118.877 89.695 1.00737.35 O ATOM 57202 C3* A 02714 159.373 119.477 87.430 1.00737.35 C ATOM 57203 O3* A 02714 158.602 120.255 86.521 1.00737.35 O ATOM 57204 C2* A 02714 160.524 120.274 88.030 1.00737.35 C ATOM 57205 O2* A 02714 160.185 121.618 88.310 1.00737.35 O ATOM 57206 C1* A 02714 160.770 119.517 89.340 1.00737.35 C ATOM 57207 N9 A 02714 161.818 118.500 89.239 1.00737.35 N ATOM 57208 C8 A 02714 161.684 117.178 88.894 1.00737.35 C ATOM 57209 N7 A 02714 162.816 116.514 88.891 1.00737.35 N ATOM 57210 C5 A 02714 163.760 117.464 89.258 1.00737.35 C ATOM 57211 C6 A 02714 165.152 117.395 89.435 1.00737.35 C ATOM 57212 N6 A 02714 165.866 116.280 89.262 1.00737.35 N ATOM 57213 N1 A 02714 165.795 118.523 89.805 1.00737.35 N ATOM 57214 C2 A 02714 165.079 119.640 89.978 1.00737.35 C ATOM 57215 N3 A 02714 163.769 119.833 89.842 1.00737.35 N ATOM 57216 C4 A 02714 163.160 118.692 89.476 1.00737.35 C ATOM 57217 P C 02715 158.872 120.134 84.940 1.00737.35 P ATOM 57218 O1P C 02715 157.932 121.062 84.260 1.00737.35 O ATOM 57219 O2P C 02715 158.874 118.695 84.572 1.00737.35 O ATOM 57220 O5* C 02715 160.350 120.698 84.754 1.00737.35 O ATOM 57221 C5* C 02715 160.650 122.069 85.009 1.00737.35 C ATOM 57222 C4* C 02715 162.144 122.294 84.998 1.00737.35 C ATOM 57223 O4* C 02715 162.753 121.535 86.075 1.00737.35 O ATOM 57224 C3* C 02715 162.877 121.826 83.748 1.00737.35 C ATOM 57225 O3* C 02715 162.820 122.811 82.721 1.00737.35 O ATOM 57226 C2* C 02715 164.297 121.620 84.267 1.00737.35 C ATOM 57227 O2* C 02715 165.035 122.822 84.364 1.00737.35 O ATOM 57228 C1* C 02715 164.027 121.064 85.668 1.00737.35 C ATOM 57229 N1 C 02715 164.029 119.587 85.723 1.00737.35 N ATOM 57230 C2 C 02715 165.245 118.915 85.941 1.00737.35 C ATOM 57231 O2 C 02715 166.287 119.576 86.087 1.00737.35 O ATOM 57232 N3 C 02715 165.252 117.562 85.987 1.00737.35 N ATOM 57233 C4 C 02715 164.114 116.882 85.827 1.00737.35 C ATOM 57234 N4 C 02715 164.171 115.549 85.878 1.00737.35 N ATOM 57235 C5 C 02715 162.868 117.537 85.605 1.00737.35 C ATOM 57236 C6 C 02715 162.871 118.875 85.561 1.00737.35 C ATOM 57237 P G 02716 162.953 122.364 81.181 1.00737.35 P ATOM 57238 O1P G 02716 162.755 123.583 80.354 1.00737.35 O ATOM 57239 O2P G 02716 162.087 121.177 80.956 1.00737.35 O ATOM 57240 O5* G 02716 164.472 121.908 81.042 1.00737.35 O ATOM 57241 C5* G 02716 165.537 122.845 81.193 1.00737.35 C ATOM 57242 C4* G 02716 166.870 122.175 80.949 1.00737.35 C ATOM 57243 O4* G 02716 167.095 121.161 81.961 1.00737.35 O ATOM 57244 C3* G 02716 167.009 121.426 79.633 1.00737.35 C ATOM 57245 O3* G 02716 167.356 122.310 78.572 1.00737.35 O ATOM 57246 C2* G 02716 168.126 120.436 79.942 1.00737.35 C ATOM 57247 O2* G 02716 169.416 121.010 79.849 1.00737.35 O ATOM 57248 C1* G 02716 167.821 120.077 81.398 1.00737.35 C ATOM 57249 N9 G 02716 167.029 118.858 81.542 1.00737.35 N ATOM 57250 C8 G 02716 165.666 118.759 81.695 1.00737.35 C ATOM 57251 N7 G 02716 165.250 117.527 81.796 1.00737.35 N ATOM 57252 C5 G 02716 166.406 116.762 81.707 1.00737.35 C ATOM 57253 C6 G 02716 166.583 115.354 81.753 1.00737.35 C ATOM 57254 O6 G 02716 165.727 114.472 81.885 1.00737.35 O ATOM 57255 N1 G 02716 167.926 115.006 81.622 1.00737.35 N ATOM 57256 C2 G 02716 168.961 115.891 81.469 1.00737.35 C ATOM 57257 N2 G 02716 170.186 115.358 81.359 1.00737.35 N ATOM 57258 N3 G 02716 168.810 117.205 81.427 1.00737.35 N ATOM 57259 C4 G 02716 167.513 117.569 81.550 1.00737.35 C ATOM 57260 P G 02717 166.975 121.927 77.057 1.00737.35 P ATOM 57261 O1P G 02717 167.359 123.078 76.202 1.00737.35 O ATOM 57262 O2P G 02717 165.575 121.430 77.032 1.00737.35 O ATOM 57263 O5* G 02717 167.942 120.704 76.718 1.00737.35 O ATOM 57264 C5* G 02717 169.342 120.906 76.534 1.00737.35 C ATOM 57265 C4* G 02717 170.030 119.593 76.234 1.00737.35 C ATOM 57266 O4* G 02717 169.941 118.721 77.390 1.00737.35 O ATOM 57267 C3* G 02717 169.433 118.775 75.099 1.00737.35 C ATOM 57268 O3* G 02717 169.926 119.218 73.839 1.00737.35 O ATOM 57269 C2* G 02717 169.905 117.365 75.437 1.00737.35 C ATOM 57270 O2* G 02717 171.234 117.110 75.029 1.00737.35 O ATOM 57271 C1* G 02717 169.825 117.373 76.966 1.00737.35 C ATOM 57272 N9 G 02717 168.578 116.824 77.494 1.00737.35 N ATOM 57273 C8 G 02717 167.476 117.525 77.929 1.00737.35 C ATOM 57274 N7 G 02717 166.512 116.756 78.353 1.00737.35 N ATOM 57275 C5 G 02717 167.001 115.467 78.189 1.00737.35 C ATOM 57276 C6 G 02717 166.401 114.213 78.476 1.00737.35 C ATOM 57277 O6 G 02717 165.283 113.983 78.953 1.00737.35 O ATOM 57278 N1 G 02717 167.247 113.157 78.156 1.00737.35 N ATOM 57279 C2 G 02717 168.506 113.287 77.626 1.00737.35 C ATOM 57280 N2 G 02717 169.164 112.142 77.382 1.00737.35 N ATOM 57281 N3 G 02717 169.079 114.448 77.355 1.00737.35 N ATOM 57282 C4 G 02717 168.273 115.491 77.659 1.00737.35 C ATOM 57283 P A 02718 169.057 118.964 72.507 1.00737.35 P ATOM 57284 O1P A 02718 169.718 119.709 71.405 1.00737.35 O ATOM 57285 O2P A 02718 167.629 119.229 72.816 1.00737.35 O ATOM 57286 O5* A 02718 169.227 117.406 72.231 1.00737.35 O ATOM 57287 C5* A 02718 170.496 116.859 71.872 1.00737.35 C ATOM 57288 C4* A 02718 170.450 115.348 71.914 1.00737.35 C ATOM 57289 O4* A 02718 170.171 114.915 73.272 1.00737.35 O ATOM 57290 C3* A 02718 169.360 114.692 71.081 1.00737.35 C ATOM 57291 O3* A 02718 169.762 114.539 69.723 1.00737.35 O ATOM 57292 C2* A 02718 169.189 113.348 71.778 1.00737.35 C ATOM 57293 O2* A 02718 170.176 112.402 71.417 1.00737.35 O ATOM 57294 C1* A 02718 169.364 113.747 73.246 1.00737.35 C ATOM 57295 N9 A 02718 168.094 114.041 73.914 1.00737.35 N ATOM 57296 C8 A 02718 167.523 115.269 74.152 1.00737.35 C ATOM 57297 N7 A 02718 166.370 115.204 74.774 1.00737.35 N ATOM 57298 C5 A 02718 166.167 113.844 74.961 1.00737.35 C ATOM 57299 C6 A 02718 165.124 113.117 75.559 1.00737.35 C ATOM 57300 N6 A 02718 164.046 113.682 76.104 1.00737.35 N ATOM 57301 N1 A 02718 165.229 111.770 75.578 1.00737.35 N ATOM 57302 C2 A 02718 166.310 111.203 75.032 1.00737.35 C ATOM 57303 N3 A 02718 167.355 111.777 74.441 1.00737.35 N ATOM 57304 C4 A 02718 167.222 113.115 74.437 1.00737.35 C ATOM 57305 P U 02719 168.647 114.310 68.585 1.00737.35 P ATOM 57306 O1P U 02719 169.364 114.094 67.302 1.00737.35 O ATOM 57307 O2P U 02719 167.640 115.397 68.688 1.00737.35 O ATOM 57308 O5* U 02719 167.958 112.936 69.003 1.00737.35 O ATOM 57309 C5* U 02719 166.693 112.554 68.474 1.00737.35 C ATOM 57310 C4* U 02719 166.358 111.142 68.891 1.00737.35 C ATOM 57311 O4* U 02719 166.399 111.045 70.342 1.00737.35 O ATOM 57312 C3* U 02719 164.964 110.661 68.525 1.00737.35 C ATOM 57313 O3* U 02719 164.922 110.174 67.189 1.00737.35 O ATOM 57314 C2* U 02719 164.728 109.552 69.547 1.00737.35 C ATOM 57315 O2* U 02719 165.346 108.331 69.193 1.00737.35 O ATOM 57316 C1* U 02719 165.405 110.135 70.789 1.00737.35 C ATOM 57317 N1 U 02719 164.475 110.849 71.684 1.00737.35 N ATOM 57318 C2 U 02719 163.763 110.099 72.609 1.00737.35 C ATOM 57319 O2 U 02719 163.877 108.886 72.717 1.00737.35 O ATOM 57320 N3 U 02719 162.910 110.821 73.407 1.00737.35 N ATOM 57321 C4 U 02719 162.699 112.183 73.379 1.00737.35 C ATOM 57322 O4 U 02719 161.894 112.686 74.164 1.00737.35 O ATOM 57323 C5 U 02719 163.470 112.887 72.401 1.00737.35 C ATOM 57324 C6 U 02719 164.310 112.216 71.607 1.00737.35 C ATOM 57325 P A 02720 163.523 110.130 66.400 1.00737.35 P ATOM 57326 O1P A 02720 163.808 109.655 65.023 1.00737.35 O ATOM 57327 O2P A 02720 162.829 111.430 66.596 1.00737.35 O ATOM 57328 O5* A 02720 162.689 109.003 67.158 1.00737.35 O ATOM 57329 C5* A 02720 163.058 107.627 67.056 1.00737.35 C ATOM 57330 C4* A 02720 161.957 106.747 67.603 1.00737.35 C ATOM 57331 O4* A 02720 161.835 106.950 69.035 1.00737.35 O ATOM 57332 C3* A 02720 160.565 107.026 67.063 1.00737.35 C ATOM 57333 O3* A 02720 160.359 106.366 65.819 1.00737.35 O ATOM 57334 C2* A 02720 159.671 106.470 68.166 1.00737.35 C ATOM 57335 O2* A 02720 159.509 105.068 68.093 1.00737.35 O ATOM 57336 C1* A 02720 160.473 106.835 69.418 1.00737.35 C ATOM 57337 N9 A 02720 160.058 108.095 70.038 1.00737.35 N ATOM 57338 C8 A 02720 160.646 109.332 69.924 1.00737.35 C ATOM 57339 N7 A 02720 160.042 110.273 70.607 1.00737.35 N ATOM 57340 C5 A 02720 158.983 109.616 71.214 1.00737.35 C ATOM 57341 C6 A 02720 157.961 110.058 72.073 1.00737.35 C ATOM 57342 N6 A 02720 157.840 111.321 72.490 1.00737.35 N ATOM 57343 N1 A 02720 157.059 109.148 72.498 1.00737.35 N ATOM 57344 C2 A 02720 157.181 107.882 72.080 1.00737.35 C ATOM 57345 N3 A 02720 158.095 107.343 71.276 1.00737.35 N ATOM 57346 C4 A 02720 158.977 108.274 70.872 1.00737.35 C ATOM 57347 P A 02721 159.495 107.083 64.667 1.00737.35 P ATOM 57348 O1P A 02721 159.599 106.240 63.448 1.00737.35 O ATOM 57349 O2P A 02721 159.891 108.515 64.605 1.00737.35 O ATOM 57350 O5* A 02721 157.998 107.007 65.207 1.00737.35 O ATOM 57351 C5* A 02721 157.242 105.801 65.107 1.00737.35 C ATOM 57352 C4* A 02721 155.840 106.015 65.630 1.00737.35 C ATOM 57353 O4* A 02721 155.886 106.261 67.061 1.00737.35 O ATOM 57354 C3* A 02721 155.098 107.218 65.071 1.00737.35 C ATOM 57355 O3* A 02721 154.498 106.924 63.814 1.00737.35 O ATOM 57356 C2* A 02721 154.058 107.481 66.151 1.00737.35 C ATOM 57357 O2* A 02721 152.935 106.627 66.064 1.00737.35 O ATOM 57358 C1* A 02721 154.853 107.166 67.422 1.00737.35 C ATOM 57359 N9 A 02721 155.460 108.352 68.030 1.00737.35 N ATOM 57360 C8 A 02721 156.772 108.759 67.983 1.00737.35 C ATOM 57361 N7 A 02721 157.003 109.877 68.627 1.00737.35 N ATOM 57362 C5 A 02721 155.761 110.233 69.133 1.00737.35 C ATOM 57363 C6 A 02721 155.333 111.323 69.911 1.00737.35 C ATOM 57364 N6 A 02721 156.144 112.298 70.327 1.00737.35 N ATOM 57365 N1 A 02721 154.027 111.381 70.246 1.00737.35 N ATOM 57366 C2 A 02721 153.214 110.405 69.826 1.00737.35 C ATOM 57367 N3 A 02721 153.495 109.331 69.093 1.00737.35 N ATOM 57368 C4 A 02721 154.801 109.303 68.776 1.00737.35 C ATOM 57369 P C 02722 154.492 108.040 62.653 1.00737.35 P ATOM 57370 O1P C 02722 153.623 107.538 61.559 1.00737.35 O ATOM 57371 O2P C 02722 155.898 108.418 62.358 1.00737.35 O ATOM 57372 O5* C 02722 153.771 109.296 63.324 1.00737.35 O ATOM 57373 C5* C 02722 152.437 109.196 63.814 1.00737.35 C ATOM 57374 C4* C 02722 152.095 110.399 64.663 1.00737.35 C ATOM 57375 O4* C 02722 152.999 110.462 65.799 1.00737.35 O ATOM 57376 C3* C 02722 152.252 111.757 63.999 1.00737.35 C ATOM 57377 O3* C 02722 151.110 112.079 63.211 1.00737.35 O ATOM 57378 C2* C 02722 152.394 112.686 65.200 1.00737.35 C ATOM 57379 O2* C 02722 151.154 113.018 65.798 1.00737.35 O ATOM 57380 C1* C 02722 153.215 111.820 66.159 1.00737.35 C ATOM 57381 N1 C 02722 154.664 112.110 66.109 1.00737.35 N ATOM 57382 C2 C 02722 155.182 113.107 66.952 1.00737.35 C ATOM 57383 O2 C 02722 154.414 113.708 67.724 1.00737.35 O ATOM 57384 N3 C 02722 156.503 113.391 66.906 1.00737.35 N ATOM 57385 C4 C 02722 157.301 112.725 66.067 1.00737.35 C ATOM 57386 N4 C 02722 158.597 113.044 66.053 1.00737.35 N ATOM 57387 C5 C 02722 156.803 111.704 65.205 1.00737.35 C ATOM 57388 C6 C 02722 155.493 111.431 65.259 1.00737.35 C ATOM 57389 P C 02723 151.248 113.135 62.004 1.00737.35 P ATOM 57390 O1P C 02723 149.945 113.163 61.291 1.00737.35 O ATOM 57391 O2P C 02723 152.489 112.824 61.250 1.00737.35 O ATOM 57392 O5* C 02723 151.445 114.533 62.742 1.00737.35 O ATOM 57393 C5* C 02723 150.410 115.084 63.552 1.00737.35 C ATOM 57394 C4* C 02723 150.881 116.351 64.229 1.00737.35 C ATOM 57395 O4* C 02723 151.975 116.045 65.132 1.00737.35 O ATOM 57396 C3* C 02723 151.448 117.426 63.317 1.00737.35 C ATOM 57397 O3* C 02723 150.414 118.213 62.732 1.00737.35 O ATOM 57398 C2* C 02723 152.303 118.244 64.279 1.00737.35 C ATOM 57399 O2* C 02723 151.551 119.161 65.048 1.00737.35 O ATOM 57400 C1* C 02723 152.868 117.148 65.189 1.00737.35 C ATOM 57401 N1 C 02723 154.217 116.696 64.792 1.00737.35 N ATOM 57402 C2 C 02723 155.336 117.416 65.249 1.00737.35 C ATOM 57403 O2 C 02723 155.159 118.409 65.977 1.00737.35 O ATOM 57404 N3 C 02723 156.573 117.013 64.888 1.00737.35 N ATOM 57405 C4 C 02723 156.728 115.943 64.106 1.00737.35 C ATOM 57406 N4 C 02723 157.970 115.588 63.774 1.00737.35 N ATOM 57407 C5 C 02723 155.616 115.195 63.624 1.00737.35 C ATOM 57408 C6 C 02723 154.391 115.600 63.988 1.00737.35 C ATOM 57409 P G 02724 150.683 118.979 61.346 1.00737.35 P ATOM 57410 O1P G 02724 149.474 119.788 61.046 1.00737.35 O ATOM 57411 O2P G 02724 151.170 117.992 60.349 1.00737.35 O ATOM 57412 O5* G 02724 151.875 119.980 61.689 1.00737.35 O ATOM 57413 C5* G 02724 152.532 120.723 60.664 1.00737.35 C ATOM 57414 C4* G 02724 153.427 121.775 61.277 1.00737.35 C ATOM 57415 O4* G 02724 154.368 121.140 62.183 1.00737.35 O ATOM 57416 C3* G 02724 154.305 122.536 60.294 1.00737.35 C ATOM 57417 O3* G 02724 153.594 123.624 59.711 1.00737.35 O ATOM 57418 C2* G 02724 155.447 123.012 61.186 1.00737.35 C ATOM 57419 O2* G 02724 155.125 124.167 61.933 1.00737.35 O ATOM 57420 C1* G 02724 155.617 121.815 62.123 1.00737.35 C ATOM 57421 N9 G 02724 156.638 120.866 61.685 1.00737.35 N ATOM 57422 C8 G 02724 156.440 119.671 61.035 1.00737.35 C ATOM 57423 N7 G 02724 157.551 119.040 60.771 1.00737.35 N ATOM 57424 C5 G 02724 158.546 119.868 61.274 1.00737.35 C ATOM 57425 C6 G 02724 159.957 119.711 61.279 1.00737.35 C ATOM 57426 O6 G 02724 160.632 118.778 60.824 1.00737.35 O ATOM 57427 N1 G 02724 160.589 120.788 61.892 1.00737.35 N ATOM 57428 C2 G 02724 159.950 121.878 62.430 1.00737.35 C ATOM 57429 N2 G 02724 160.735 122.814 62.978 1.00737.35 N ATOM 57430 N3 G 02724 158.635 122.036 62.432 1.00737.35 N ATOM 57431 C4 G 02724 157.999 121.000 61.841 1.00737.35 C ATOM 57432 P C 02725 154.056 124.202 58.282 1.00737.35 P ATOM 57433 O1P C 02725 153.044 125.207 57.867 1.00737.35 O ATOM 57434 O2P C 02725 154.363 123.058 57.385 1.00737.35 O ATOM 57435 O5* C 02725 155.418 124.964 58.599 1.00737.35 O ATOM 57436 C5* C 02725 155.421 126.186 59.337 1.00737.35 C ATOM 57437 C4* C 02725 156.815 126.771 59.382 1.00737.35 C ATOM 57438 O4* C 02725 157.687 125.889 60.135 1.00737.35 O ATOM 57439 C3* C 02725 157.507 126.929 58.038 1.00737.35 C ATOM 57440 O3* C 02725 157.118 128.144 57.404 1.00737.35 O ATOM 57441 C2* C 02725 158.980 126.932 58.428 1.00737.35 C ATOM 57442 O2* C 02725 159.430 128.191 58.893 1.00737.35 O ATOM 57443 C1* C 02725 158.991 125.919 59.579 1.00737.35 C ATOM 57444 N1 C 02725 159.364 124.551 59.166 1.00737.35 N ATOM 57445 C2 C 02725 160.723 124.187 59.161 1.00737.35 C ATOM 57446 O2 C 02725 161.575 125.024 59.504 1.00737.35 O ATOM 57447 N3 C 02725 161.068 122.936 58.784 1.00737.35 N ATOM 57448 C4 C 02725 160.126 122.062 58.420 1.00737.35 C ATOM 57449 N4 C 02725 160.515 120.839 58.055 1.00737.35 N ATOM 57450 C5 C 02725 158.743 122.404 58.413 1.00737.35 C ATOM 57451 C6 C 02725 158.409 123.645 58.788 1.00737.35 C ATOM 57452 P U 02726 156.972 128.198 55.801 1.00737.35 P ATOM 57453 O1P U 02726 156.282 129.472 55.468 1.00737.35 O ATOM 57454 O2P U 02726 156.400 126.911 55.331 1.00737.35 O ATOM 57455 O5* U 02726 158.475 128.292 55.280 1.00737.35 O ATOM 57456 C5* U 02726 159.208 129.512 55.372 1.00737.35 C ATOM 57457 C4* U 02726 160.622 129.315 54.872 1.00737.35 C ATOM 57458 O4* U 02726 161.308 128.372 55.737 1.00737.35 O ATOM 57459 C3* U 02726 160.759 128.717 53.481 1.00737.35 C ATOM 57460 O3* U 02726 160.660 129.723 52.474 1.00737.35 O ATOM 57461 C2* U 02726 162.157 128.111 53.531 1.00737.35 C ATOM 57462 O2* U 02726 163.183 129.060 53.322 1.00737.35 O ATOM 57463 C1* U 02726 162.214 127.591 54.970 1.00737.35 C ATOM 57464 N1 U 02726 161.844 126.172 55.096 1.00737.35 N ATOM 57465 C2 U 02726 162.838 125.222 54.905 1.00737.35 C ATOM 57466 O2 U 02726 163.995 125.512 54.642 1.00737.35 O ATOM 57467 N3 U 02726 162.429 123.918 55.032 1.00737.35 N ATOM 57468 C4 U 02726 161.156 123.469 55.325 1.00737.35 C ATOM 57469 O4 U 02726 160.943 122.258 55.399 1.00737.35 O ATOM 57470 C5 U 02726 160.187 124.506 55.512 1.00737.35 C ATOM 57471 C6 U 02726 160.551 125.787 55.394 1.00737.35 C ATOM 57472 P G 02727 159.793 129.442 51.146 1.00737.35 P ATOM 57473 O1P G 02727 160.081 130.544 50.192 1.00737.35 O ATOM 57474 O2P G 02727 158.391 129.172 51.553 1.00737.35 O ATOM 57475 O5* G 02727 160.405 128.096 50.549 1.00737.35 O ATOM 57476 C5* G 02727 161.785 128.011 50.193 1.00737.35 C ATOM 57477 C4* G 02727 162.230 126.566 50.157 1.00737.35 C ATOM 57478 O4* G 02727 161.990 125.968 51.459 1.00737.35 O ATOM 57479 C3* G 02727 161.482 125.663 49.184 1.00737.35 C ATOM 57480 O3* G 02727 162.044 125.737 47.877 1.00737.35 O ATOM 57481 C2* G 02727 161.679 124.288 49.811 1.00737.35 C ATOM 57482 O2* G 02727 162.949 123.729 49.537 1.00737.35 O ATOM 57483 C1* G 02727 161.579 124.619 51.300 1.00737.35 C ATOM 57484 N9 G 02727 160.223 124.479 51.833 1.00737.35 N ATOM 57485 C8 G 02727 159.317 125.484 52.082 1.00737.35 C ATOM 57486 N7 G 02727 158.182 125.044 52.553 1.00737.35 N ATOM 57487 C5 G 02727 158.346 123.666 52.618 1.00737.35 C ATOM 57488 C6 G 02727 157.449 122.656 53.050 1.00737.35 C ATOM 57489 O6 G 02727 156.293 122.778 53.475 1.00737.35 O ATOM 57490 N1 G 02727 158.019 121.391 52.950 1.00737.35 N ATOM 57491 C2 G 02727 159.286 121.129 52.493 1.00737.35 C ATOM 57492 N2 G 02727 159.655 119.841 52.474 1.00737.35 N ATOM 57493 N3 G 02727 160.133 122.063 52.089 1.00737.35 N ATOM 57494 C4 G 02727 159.600 123.301 52.177 1.00737.35 C ATOM 57495 P A 02728 161.132 125.403 46.590 1.00737.35 P ATOM 57496 O1P A 02728 161.366 126.483 45.601 1.00737.35 O ATOM 57497 O2P A 02728 159.746 125.099 47.031 1.00737.35 O ATOM 57498 O5* A 02728 161.770 124.062 46.006 1.00737.35 O ATOM 57499 C5* A 02728 161.982 122.928 46.840 1.00737.35 C ATOM 57500 C4* A 02728 163.175 122.136 46.358 1.00737.35 C ATOM 57501 O4* A 02728 163.518 121.135 47.350 1.00737.35 O ATOM 57502 C3* A 02728 162.969 121.343 45.076 1.00737.35 C ATOM 57503 O3* A 02728 163.187 122.160 43.928 1.00737.35 O ATOM 57504 C2* A 02728 164.021 120.248 45.200 1.00737.35 C ATOM 57505 O2* A 02728 165.315 120.672 44.819 1.00737.35 O ATOM 57506 C1* A 02728 163.993 119.965 46.704 1.00737.35 C ATOM 57507 N9 A 02728 163.125 118.847 47.079 1.00737.35 N ATOM 57508 C8 A 02728 161.759 118.847 47.231 1.00737.35 C ATOM 57509 N7 A 02728 161.265 117.682 47.576 1.00737.35 N ATOM 57510 C5 A 02728 162.379 116.860 47.660 1.00737.35 C ATOM 57511 C6 A 02728 162.531 115.499 47.988 1.00737.35 C ATOM 57512 N6 A 02728 161.510 114.697 48.306 1.00737.35 N ATOM 57513 N1 A 02728 163.778 114.986 47.976 1.00737.35 N ATOM 57514 C2 A 02728 164.800 115.789 47.659 1.00737.35 C ATOM 57515 N3 A 02728 164.786 117.081 47.337 1.00737.35 N ATOM 57516 C4 A 02728 163.531 117.562 47.355 1.00737.35 C ATOM 57517 P A 02729 162.346 121.882 42.583 1.00737.35 P ATOM 57518 O1P A 02729 162.815 122.855 41.564 1.00737.35 O ATOM 57519 O2P A 02729 160.905 121.832 42.938 1.00737.35 O ATOM 57520 O5* A 02729 162.801 120.425 42.131 1.00737.35 O ATOM 57521 C5* A 02729 164.155 120.159 41.767 1.00737.35 C ATOM 57522 C4* A 02729 164.398 118.667 41.693 1.00737.35 C ATOM 57523 O4* A 02729 164.158 118.076 42.996 1.00737.35 O ATOM 57524 C3* A 02729 163.489 117.891 40.750 1.00737.35 C ATOM 57525 O3* A 02729 164.002 117.930 39.423 1.00737.35 O ATOM 57526 C2* A 02729 163.538 116.485 41.339 1.00737.35 C ATOM 57527 O2* A 02729 164.690 115.760 40.952 1.00737.35 O ATOM 57528 C1* A 02729 163.597 116.783 42.840 1.00737.35 C ATOM 57529 N9 A 02729 162.289 116.764 43.497 1.00737.35 N ATOM 57530 C8 A 02729 161.353 117.770 43.548 1.00737.35 C ATOM 57531 N7 A 02729 160.272 117.454 44.221 1.00737.35 N ATOM 57532 C5 A 02729 160.510 116.151 44.639 1.00737.35 C ATOM 57533 C6 A 02729 159.746 115.247 45.399 1.00737.35 C ATOM 57534 N6 A 02729 158.538 115.529 45.889 1.00737.35 N ATOM 57535 N1 A 02729 160.274 114.028 45.639 1.00737.35 N ATOM 57536 C2 A 02729 161.486 113.745 45.148 1.00737.35 C ATOM 57537 N3 A 02729 162.301 114.509 44.423 1.00737.35 N ATOM 57538 C4 A 02729 161.749 115.714 44.202 1.00737.35 C ATOM 57539 P A 02730 163.045 117.575 38.178 1.00737.35 P ATOM 57540 O1P A 02730 162.616 116.161 38.337 1.00737.35 O ATOM 57541 O2P A 02730 163.743 117.995 36.936 1.00737.35 O ATOM 57542 O5* A 02730 161.765 118.506 38.382 1.00737.35 O ATOM 57543 C5* A 02730 161.080 119.066 37.263 1.00737.35 C ATOM 57544 C4* A 02730 159.586 118.881 37.407 1.00737.35 C ATOM 57545 O4* A 02730 159.277 117.464 37.435 1.00737.35 O ATOM 57546 C3* A 02730 158.958 119.429 38.679 1.00737.35 C ATOM 57547 O3* A 02730 158.681 120.822 38.554 1.00737.35 O ATOM 57548 C2* A 02730 157.684 118.597 38.791 1.00737.35 C ATOM 57549 O2* A 02730 156.641 119.067 37.962 1.00737.35 O ATOM 57550 C1* A 02730 158.167 117.233 38.290 1.00737.35 C ATOM 57551 N9 A 02730 158.585 116.330 39.367 1.00737.35 N ATOM 57552 C8 A 02730 159.859 115.923 39.687 1.00737.35 C ATOM 57553 N7 A 02730 159.911 115.105 40.711 1.00737.35 N ATOM 57554 C5 A 02730 158.584 114.964 41.092 1.00737.35 C ATOM 57555 C6 A 02730 157.971 114.225 42.118 1.00737.35 C ATOM 57556 N6 A 02730 158.639 113.457 42.981 1.00737.35 N ATOM 57557 N1 A 02730 156.627 114.302 42.229 1.00737.35 N ATOM 57558 C2 A 02730 155.957 115.071 41.363 1.00737.35 C ATOM 57559 N3 A 02730 156.419 115.810 40.358 1.00737.35 N ATOM 57560 C4 A 02730 157.756 115.713 40.274 1.00737.35 C ATOM 57561 P G 02731 158.161 121.650 39.831 1.00737.35 P ATOM 57562 O1P G 02731 159.028 121.297 40.984 1.00737.35 O ATOM 57563 O2P G 02731 156.693 121.458 39.932 1.00737.35 O ATOM 57564 O5* G 02731 158.433 123.171 39.441 1.00737.35 O ATOM 57565 C5* G 02731 159.716 123.764 39.641 1.00737.35 C ATOM 57566 C4* G 02731 159.701 125.210 39.198 1.00737.35 C ATOM 57567 O4* G 02731 159.481 125.271 37.765 1.00737.35 O ATOM 57568 C3* G 02731 158.595 126.071 39.788 1.00737.35 C ATOM 57569 O3* G 02731 158.967 126.569 41.069 1.00737.35 O ATOM 57570 C2* G 02731 158.470 127.183 38.753 1.00737.35 C ATOM 57571 O2* G 02731 159.452 128.192 38.898 1.00737.35 O ATOM 57572 C1* G 02731 158.704 126.416 37.451 1.00737.35 C ATOM 57573 N9 G 02731 157.473 125.973 36.801 1.00737.35 N ATOM 57574 C8 G 02731 156.713 124.872 37.120 1.00737.35 C ATOM 57575 N7 G 02731 155.662 124.736 36.355 1.00737.35 N ATOM 57576 C5 G 02731 155.733 125.811 35.480 1.00737.35 C ATOM 57577 C6 G 02731 154.869 126.193 34.419 1.00737.35 C ATOM 57578 O6 G 02731 153.834 125.637 34.031 1.00737.35 O ATOM 57579 N1 G 02731 155.315 127.350 33.787 1.00737.35 N ATOM 57580 C2 G 02731 156.447 128.051 34.130 1.00737.35 C ATOM 57581 N2 G 02731 156.708 129.144 33.402 1.00737.35 N ATOM 57582 N3 G 02731 157.259 127.706 35.114 1.00737.35 N ATOM 57583 C4 G 02731 156.844 126.584 35.743 1.00737.35 C ATOM 57584 P C 02732 157.830 126.907 42.158 1.00737.35 P ATOM 57585 O1P C 02732 157.148 128.147 41.715 1.00737.35 O ATOM 57586 O2P C 02732 158.455 126.855 43.505 1.00737.35 O ATOM 57587 O5* C 02732 156.794 125.701 42.035 1.00737.35 O ATOM 57588 C5* C 02732 155.934 125.360 43.118 1.00737.35 C ATOM 57589 C4* C 02732 154.508 125.228 42.635 1.00737.35 C ATOM 57590 O4* C 02732 154.446 124.258 41.559 1.00737.35 O ATOM 57591 C3* C 02732 153.520 124.704 43.666 1.00737.35 C ATOM 57592 O3* C 02732 153.040 125.757 44.495 1.00737.35 O ATOM 57593 C2* C 02732 152.413 124.127 42.789 1.00737.35 C ATOM 57594 O2* C 02732 151.515 125.111 42.313 1.00737.35 O ATOM 57595 C1* C 02732 153.215 123.550 41.620 1.00737.35 C ATOM 57596 N1 C 02732 153.500 122.106 41.753 1.00737.35 N ATOM 57597 C2 C 02732 152.554 121.182 41.279 1.00737.35 C ATOM 57598 O2 C 02732 151.504 121.602 40.760 1.00737.35 O ATOM 57599 N3 C 02732 152.806 119.859 41.395 1.00737.35 N ATOM 57600 C4 C 02732 153.944 119.445 41.958 1.00737.35 C ATOM 57601 N4 C 02732 154.151 118.129 42.050 1.00737.35 N ATOM 57602 C5 C 02732 154.920 120.358 42.448 1.00737.35 C ATOM 57603 C6 C 02732 154.662 121.667 42.325 1.00737.35 C ATOM 57604 P A 02733 153.250 125.679 46.088 1.00737.35 P ATOM 57605 O1P A 02733 152.374 126.709 46.701 1.00737.35 O ATOM 57606 O2P A 02733 154.709 125.699 46.364 1.00737.35 O ATOM 57607 O5* A 02733 152.688 124.240 46.486 1.00737.35 O ATOM 57608 C5* A 02733 151.291 123.961 46.455 1.00737.35 C ATOM 57609 C4* A 02733 151.040 122.511 46.805 1.00737.35 C ATOM 57610 O4* A 02733 151.635 121.663 45.787 1.00737.35 O ATOM 57611 C3* A 02733 151.662 122.031 48.108 1.00737.35 C ATOM 57612 O3* A 02733 150.823 122.327 49.220 1.00737.35 O ATOM 57613 C2* A 02733 151.792 120.530 47.873 1.00737.35 C ATOM 57614 O2* A 02733 150.584 119.828 48.089 1.00737.35 O ATOM 57615 C1* A 02733 152.158 120.489 46.388 1.00737.35 C ATOM 57616 N9 A 02733 153.601 120.449 46.144 1.00737.35 N ATOM 57617 C8 A 02733 154.472 121.509 46.053 1.00737.35 C ATOM 57618 N7 A 02733 155.715 121.155 45.831 1.00737.35 N ATOM 57619 C5 A 02733 155.660 119.770 45.768 1.00737.35 C ATOM 57620 C6 A 02733 156.650 118.793 45.552 1.00737.35 C ATOM 57621 N6 A 02733 157.939 119.076 45.352 1.00737.35 N ATOM 57622 N1 A 02733 156.263 117.499 45.548 1.00737.35 N ATOM 57623 C2 A 02733 154.970 117.216 45.748 1.00737.35 C ATOM 57624 N3 A 02733 153.949 118.042 45.962 1.00737.35 N ATOM 57625 C4 A 02733 154.366 119.322 45.959 1.00737.35 C ATOM 57626 P U 02734 151.480 122.707 50.638 1.00737.35 P ATOM 57627 O1P U 02734 150.365 122.934 51.592 1.00737.35 O ATOM 57628 O2P U 02734 152.486 123.777 50.418 1.00737.35 O ATOM 57629 O5* U 02734 152.249 121.380 51.074 1.00737.35 O ATOM 57630 C5* U 02734 151.533 120.200 51.433 1.00737.35 C ATOM 57631 C4* U 02734 152.491 119.048 51.643 1.00737.35 C ATOM 57632 O4* U 02734 153.168 118.754 50.393 1.00737.35 O ATOM 57633 C3* U 02734 153.620 119.291 52.633 1.00737.35 C ATOM 57634 O3* U 02734 153.193 119.056 53.971 1.00737.35 O ATOM 57635 C2* U 02734 154.667 118.281 52.179 1.00737.35 C ATOM 57636 O2* U 02734 154.415 116.970 52.644 1.00737.35 O ATOM 57637 C1* U 02734 154.500 118.334 50.657 1.00737.35 C ATOM 57638 N1 U 02734 155.429 119.267 49.999 1.00737.35 N ATOM 57639 C2 U 02734 156.657 118.772 49.583 1.00737.35 C ATOM 57640 O2 U 02734 156.993 117.606 49.730 1.00737.35 O ATOM 57641 N3 U 02734 157.482 119.694 48.984 1.00737.35 N ATOM 57642 C4 U 02734 157.212 121.028 48.758 1.00737.35 C ATOM 57643 O4 U 02734 158.062 121.730 48.208 1.00737.35 O ATOM 57644 C5 U 02734 155.928 121.463 49.214 1.00737.35 C ATOM 57645 C6 U 02734 155.101 120.594 49.803 1.00737.35 C ATOM 57646 P C 02735 153.952 119.781 55.190 1.00737.35 P ATOM 57647 O1P C 02735 153.202 119.453 56.428 1.00737.35 O ATOM 57648 O2P C 02735 154.172 121.206 54.824 1.00737.35 O ATOM 57649 O5* C 02735 155.361 119.041 55.258 1.00737.35 O ATOM 57650 C5* C 02735 156.579 119.771 55.412 1.00737.35 C ATOM 57651 C4* C 02735 157.578 118.962 56.205 1.00737.35 C ATOM 57652 O4* C 02735 157.082 118.784 57.560 1.00737.35 O ATOM 57653 C3* C 02735 157.824 117.546 55.704 1.00737.35 C ATOM 57654 O3* C 02735 158.810 117.516 54.676 1.00737.35 O ATOM 57655 C2* C 02735 158.302 116.834 56.964 1.00737.35 C ATOM 57656 O2* C 02735 159.667 117.068 57.251 1.00737.35 O ATOM 57657 C1* C 02735 157.426 117.491 58.032 1.00737.35 C ATOM 57658 N1 C 02735 156.182 116.746 58.316 1.00737.35 N ATOM 57659 C2 C 02735 156.209 115.714 59.272 1.00737.35 C ATOM 57660 O2 C 02735 157.277 115.454 59.855 1.00737.35 O ATOM 57661 N3 C 02735 155.074 115.027 59.530 1.00737.35 N ATOM 57662 C4 C 02735 153.946 115.330 58.885 1.00737.35 C ATOM 57663 N4 C 02735 152.850 114.627 59.173 1.00737.35 N ATOM 57664 C5 C 02735 153.889 116.372 57.914 1.00737.35 C ATOM 57665 C6 C 02735 155.018 117.045 57.663 1.00737.35 C ATOM 57666 P U 02736 158.620 116.529 53.422 1.00737.35 P ATOM 57667 O1P U 02736 157.735 117.221 52.449 1.00737.35 O ATOM 57668 O2P U 02736 158.238 115.187 53.932 1.00737.35 O ATOM 57669 O5* U 02736 160.074 116.426 52.782 1.00737.35 O ATOM 57670 C5* U 02736 160.349 115.482 51.748 1.00737.35 C ATOM 57671 C4* U 02736 161.841 115.328 51.557 1.00737.35 C ATOM 57672 O4* U 02736 162.403 116.580 51.088 1.00737.35 O ATOM 57673 C3* U 02736 162.645 114.999 52.806 1.00737.35 C ATOM 57674 O3* U 02736 162.614 113.597 53.068 1.00737.35 O ATOM 57675 C2* U 02736 164.041 115.485 52.425 1.00737.35 C ATOM 57676 O2* U 02736 164.751 114.563 51.623 1.00737.35 O ATOM 57677 C1* U 02736 163.716 116.735 51.604 1.00737.35 C ATOM 57678 N1 U 02736 163.777 117.990 52.371 1.00737.35 N ATOM 57679 C2 U 02736 164.994 118.657 52.426 1.00737.35 C ATOM 57680 O2 U 02736 166.005 118.250 51.871 1.00737.35 O ATOM 57681 N3 U 02736 164.984 119.823 53.154 1.00737.35 N ATOM 57682 C4 U 02736 163.911 120.379 53.819 1.00737.35 C ATOM 57683 O4 U 02736 164.058 121.445 54.418 1.00737.35 O ATOM 57684 C5 U 02736 162.696 119.632 53.721 1.00737.35 C ATOM 57685 C6 U 02736 162.669 118.493 53.022 1.00737.35 C ATOM 57686 P A 02737 163.003 113.043 54.530 1.00737.35 P ATOM 57687 O1P A 02737 162.282 111.757 54.714 1.00737.35 O ATOM 57688 O2P A 02737 162.825 114.130 55.527 1.00737.35 O ATOM 57689 O5* A 02737 164.559 112.719 54.418 1.00737.35 O ATOM 57690 C5* A 02737 165.078 112.005 53.297 1.00737.35 C ATOM 57691 C4* A 02737 166.556 111.743 53.479 1.00737.35 C ATOM 57692 O4* A 02737 167.048 111.030 52.313 1.00737.35 O ATOM 57693 C3* A 02737 167.431 112.985 53.567 1.00737.35 C ATOM 57694 O3* A 02737 167.506 113.450 54.912 1.00737.35 O ATOM 57695 C2* A 02737 168.777 112.469 53.071 1.00737.35 C ATOM 57696 O2* A 02737 169.503 111.770 54.062 1.00737.35 O ATOM 57697 C1* A 02737 168.341 111.503 51.969 1.00737.35 C ATOM 57698 N9 A 02737 168.266 112.125 50.645 1.00737.35 N ATOM 57699 C8 A 02737 167.153 112.619 50.006 1.00737.35 C ATOM 57700 N7 A 02737 167.403 113.123 48.822 1.00737.35 N ATOM 57701 C5 A 02737 168.772 112.952 48.671 1.00737.35 C ATOM 57702 C6 A 02737 169.656 113.281 47.626 1.00737.35 C ATOM 57703 N6 A 02737 169.274 113.874 46.492 1.00737.35 N ATOM 57704 N1 A 02737 170.961 112.976 47.788 1.00737.35 N ATOM 57705 C2 A 02737 171.344 112.382 48.928 1.00737.35 C ATOM 57706 N3 A 02737 170.610 112.023 49.978 1.00737.35 N ATOM 57707 C4 A 02737 169.318 112.340 49.785 1.00737.35 C ATOM 57708 P A 02738 167.570 115.028 55.212 1.00737.35 P ATOM 57709 O1P A 02738 167.602 115.189 56.687 1.00737.35 O ATOM 57710 O2P A 02738 166.505 115.702 54.424 1.00737.35 O ATOM 57711 O5* A 02738 168.981 115.484 54.630 1.00737.35 O ATOM 57712 C5* A 02738 170.187 114.818 55.007 1.00737.35 C ATOM 57713 C4* A 02738 171.343 115.793 55.028 1.00737.35 C ATOM 57714 O4* A 02738 171.486 116.389 53.712 1.00737.35 O ATOM 57715 C3* A 02738 171.176 116.979 55.965 1.00737.35 C ATOM 57716 O3* A 02738 171.599 116.650 57.284 1.00737.35 O ATOM 57717 C2* A 02738 172.083 118.023 55.329 1.00737.35 C ATOM 57718 O2* A 02738 173.450 117.845 55.651 1.00737.35 O ATOM 57719 C1* A 02738 171.863 117.751 53.838 1.00737.35 C ATOM 57720 N9 A 02738 170.815 118.583 53.242 1.00737.35 N ATOM 57721 C8 A 02738 169.577 118.190 52.788 1.00737.35 C ATOM 57722 N7 A 02738 168.857 119.171 52.302 1.00737.35 N ATOM 57723 C5 A 02738 169.671 120.285 52.446 1.00737.35 C ATOM 57724 C6 A 02738 169.482 121.641 52.122 1.00737.35 C ATOM 57725 N6 A 02738 168.370 122.123 51.562 1.00737.35 N ATOM 57726 N1 A 02738 170.492 122.497 52.393 1.00737.35 N ATOM 57727 C2 A 02738 171.608 122.014 52.956 1.00737.35 C ATOM 57728 N3 A 02738 171.902 120.764 53.304 1.00737.35 N ATOM 57729 C4 A 02738 170.880 119.939 53.021 1.00737.35 C ATOM 57730 P G 02739 170.670 117.028 58.540 1.00737.35 P ATOM 57731 O1P G 02739 171.491 116.851 59.765 1.00737.35 O ATOM 57732 O2P G 02739 169.384 116.296 58.408 1.00737.35 O ATOM 57733 O5* G 02739 170.377 118.584 58.356 1.00737.35 O ATOM 57734 C5* G 02739 171.420 119.548 58.493 1.00737.35 C ATOM 57735 C4* G 02739 170.849 120.873 58.946 1.00737.35 C ATOM 57736 O4* G 02739 169.975 121.400 57.917 1.00737.35 O ATOM 57737 C3* G 02739 169.978 120.815 60.190 1.00737.35 C ATOM 57738 O3* G 02739 170.767 120.854 61.376 1.00737.35 O ATOM 57739 C2* G 02739 169.110 122.059 60.033 1.00737.35 C ATOM 57740 O2* G 02739 169.761 123.249 60.430 1.00737.35 O ATOM 57741 C1* G 02739 168.880 122.076 58.518 1.00737.35 C ATOM 57742 N9 G 02739 167.644 121.406 58.112 1.00737.35 N ATOM 57743 C8 G 02739 167.501 120.107 57.689 1.00737.35 C ATOM 57744 N7 G 02739 166.269 119.792 57.395 1.00737.35 N ATOM 57745 C5 G 02739 165.551 120.957 57.637 1.00737.35 C ATOM 57746 C6 G 02739 164.166 121.228 57.500 1.00737.35 C ATOM 57747 O6 G 02739 163.265 120.469 57.123 1.00737.35 O ATOM 57748 N1 G 02739 163.862 122.538 57.855 1.00737.35 N ATOM 57749 C2 G 02739 164.773 123.470 58.287 1.00737.35 C ATOM 57750 N2 G 02739 164.285 124.684 58.583 1.00737.35 N ATOM 57751 N3 G 02739 166.067 123.231 58.419 1.00737.35 N ATOM 57752 C4 G 02739 166.385 121.962 58.081 1.00737.35 C ATOM 57753 P C 02740 170.214 120.174 62.723 1.00737.35 P ATOM 57754 O1P C 02740 171.303 120.251 63.733 1.00737.35 O ATOM 57755 O2P C 02740 169.623 118.854 62.383 1.00737.35 O ATOM 57756 O5* C 02740 169.038 121.144 63.184 1.00737.35 O ATOM 57757 C5* C 02740 169.311 122.488 63.578 1.00737.35 C ATOM 57758 C4* C 02740 168.022 123.252 63.779 1.00737.35 C ATOM 57759 O4* C 02740 167.304 123.336 62.520 1.00737.35 O ATOM 57760 C3* C 02740 167.017 122.629 64.734 1.00737.35 C ATOM 57761 O3* C 02740 167.332 122.937 66.089 1.00737.35 O ATOM 57762 C2* C 02740 165.711 123.277 64.287 1.00737.35 C ATOM 57763 O2* C 02740 165.535 124.586 64.792 1.00737.35 O ATOM 57764 C1* C 02740 165.906 123.335 62.768 1.00737.35 C ATOM 57765 N1 C 02740 165.295 122.190 62.060 1.00737.35 N ATOM 57766 C2 C 02740 163.961 122.294 61.631 1.00737.35 C ATOM 57767 O2 C 02740 163.334 123.345 61.847 1.00737.35 O ATOM 57768 N3 C 02740 163.387 121.246 60.996 1.00737.35 N ATOM 57769 C4 C 02740 164.088 120.132 60.776 1.00737.35 C ATOM 57770 N4 C 02740 163.479 119.124 60.150 1.00737.35 N ATOM 57771 C5 C 02740 165.446 120.001 61.194 1.00737.35 C ATOM 57772 C6 C 02740 166.004 121.043 61.824 1.00737.35 C ATOM 57773 P G 02741 166.790 121.990 67.269 1.00737.35 P ATOM 57774 O1P G 02741 167.465 122.418 68.522 1.00737.35 O ATOM 57775 O2P G 02741 166.890 120.573 66.832 1.00737.35 O ATOM 57776 O5* G 02741 165.245 122.367 67.386 1.00737.35 O ATOM 57777 C5* G 02741 164.842 123.703 67.677 1.00737.35 C ATOM 57778 C4* G 02741 163.337 123.793 67.786 1.00737.35 C ATOM 57779 O4* G 02741 162.735 123.437 66.513 1.00737.35 O ATOM 57780 C3* G 02741 162.679 122.847 68.779 1.00737.35 C ATOM 57781 O3* G 02741 162.739 123.367 70.102 1.00737.35 O ATOM 57782 C2* G 02741 161.248 122.783 68.254 1.00737.35 C ATOM 57783 O2* G 02741 160.464 123.893 68.643 1.00737.35 O ATOM 57784 C1* G 02741 161.477 122.821 66.741 1.00737.35 C ATOM 57785 N9 G 02741 161.479 121.496 66.124 1.00737.35 N ATOM 57786 C8 G 02741 162.566 120.698 65.858 1.00737.35 C ATOM 57787 N7 G 02741 162.244 119.559 65.307 1.00737.35 N ATOM 57788 C5 G 02741 160.861 119.607 65.200 1.00737.35 C ATOM 57789 C6 G 02741 159.945 118.655 64.679 1.00737.35 C ATOM 57790 O6 G 02741 160.178 117.540 64.193 1.00737.35 O ATOM 57791 N1 G 02741 158.633 119.111 64.766 1.00737.35 N ATOM 57792 C2 G 02741 158.249 120.322 65.284 1.00737.35 C ATOM 57793 N2 G 02741 156.932 120.578 65.280 1.00737.35 N ATOM 57794 N3 G 02741 159.093 121.215 65.772 1.00737.35 N ATOM 57795 C4 G 02741 160.374 120.796 65.699 1.00737.35 C ATOM 57796 P G 02742 162.599 122.372 71.358 1.00737.35 P ATOM 57797 O1P G 02742 162.856 123.171 72.585 1.00737.35 O ATOM 57798 O2P G 02742 163.408 121.154 71.093 1.00737.35 O ATOM 57799 O5* G 02742 161.060 121.960 71.348 1.00737.35 O ATOM 57800 C5* G 02742 160.039 122.940 71.526 1.00737.35 C ATOM 57801 C4* G 02742 158.675 122.331 71.296 1.00737.35 C ATOM 57802 O4* G 02742 158.575 121.865 69.925 1.00737.35 O ATOM 57803 C3* G 02742 158.340 121.103 72.127 1.00737.35 C ATOM 57804 O3* G 02742 157.867 121.476 73.419 1.00737.35 O ATOM 57805 C2* G 02742 157.245 120.442 71.298 1.00737.35 C ATOM 57806 O2* G 02742 155.968 121.017 71.503 1.00737.35 O ATOM 57807 C1* G 02742 157.719 120.733 69.873 1.00737.35 C ATOM 57808 N9 G 02742 158.437 119.622 69.249 1.00737.35 N ATOM 57809 C8 G 02742 159.778 119.549 68.958 1.00737.35 C ATOM 57810 N7 G 02742 160.120 118.423 68.393 1.00737.35 N ATOM 57811 C5 G 02742 158.934 117.706 68.305 1.00737.35 C ATOM 57812 C6 G 02742 158.673 116.410 67.780 1.00737.35 C ATOM 57813 O6 G 02742 159.469 115.610 67.267 1.00737.35 O ATOM 57814 N1 G 02742 157.332 116.073 67.898 1.00737.35 N ATOM 57815 C2 G 02742 156.359 116.874 68.442 1.00737.35 C ATOM 57816 N2 G 02742 155.117 116.366 68.463 1.00737.35 N ATOM 57817 N3 G 02742 156.585 118.081 68.932 1.00737.35 N ATOM 57818 C4 G 02742 157.885 118.430 68.831 1.00737.35 C ATOM 57819 P G 02743 158.175 120.533 74.685 1.00737.35 P ATOM 57820 O1P G 02743 157.456 121.107 75.849 1.00737.35 O ATOM 57821 O2P G 02743 159.643 120.317 74.762 1.00737.35 O ATOM 57822 O5* G 02743 157.489 119.144 74.309 1.00737.35 O ATOM 57823 C5* G 02743 156.078 119.054 74.103 1.00737.35 C ATOM 57824 C4* G 02743 155.718 117.697 73.542 1.00737.35 C ATOM 57825 O4* G 02743 156.347 117.530 72.245 1.00737.35 O ATOM 57826 C3* G 02743 156.198 116.505 74.354 1.00737.35 C ATOM 57827 O3* G 02743 155.266 116.203 75.392 1.00737.35 O ATOM 57828 C2* G 02743 156.269 115.402 73.306 1.00737.35 C ATOM 57829 O2* G 02743 155.011 114.811 73.035 1.00737.35 O ATOM 57830 C1* G 02743 156.748 116.180 72.077 1.00737.35 C ATOM 57831 N9 G 02743 158.197 116.149 71.885 1.00737.35 N ATOM 57832 C8 G 02743 159.127 116.997 72.439 1.00737.35 C ATOM 57833 N7 G 02743 160.350 116.727 72.074 1.00737.35 N ATOM 57834 C5 G 02743 160.221 115.629 71.231 1.00737.35 C ATOM 57835 C6 G 02743 161.209 114.892 70.528 1.00737.35 C ATOM 57836 O6 G 02743 162.434 115.066 70.507 1.00737.35 O ATOM 57837 N1 G 02743 160.645 113.857 69.792 1.00737.35 N ATOM 57838 C2 G 02743 159.303 113.569 69.731 1.00737.35 C ATOM 57839 N2 G 02743 158.955 112.528 68.962 1.00737.35 N ATOM 57840 N3 G 02743 158.372 114.250 70.380 1.00737.35 N ATOM 57841 C4 G 02743 158.899 115.259 71.106 1.00737.35 C ATOM 57842 P A 02744 155.798 115.725 76.830 1.00737.35 P ATOM 57843 O1P A 02744 154.648 115.793 77.767 1.00737.35 O ATOM 57844 O2P A 02744 157.048 116.467 77.148 1.00737.35 O ATOM 57845 O5* A 02744 156.167 114.189 76.617 1.00737.35 O ATOM 57846 C5* A 02744 156.869 113.462 77.620 1.00737.35 C ATOM 57847 C4* A 02744 156.335 112.051 77.712 1.00737.35 C ATOM 57848 O4* A 02744 156.443 111.407 76.419 1.00737.35 O ATOM 57849 C3* A 02744 157.100 111.138 78.655 1.00737.35 C ATOM 57850 O3* A 02744 156.628 111.287 79.992 1.00737.35 O ATOM 57851 C2* A 02744 156.779 109.755 78.101 1.00737.35 C ATOM 57852 O2* A 02744 155.528 109.258 78.533 1.00737.35 O ATOM 57853 C1* A 02744 156.732 110.029 76.595 1.00737.35 C ATOM 57854 N9 A 02744 157.981 109.720 75.897 1.00737.35 N ATOM 57855 C8 A 02744 159.003 110.576 75.566 1.00737.35 C ATOM 57856 N7 A 02744 159.995 109.995 74.933 1.00737.35 N ATOM 57857 C5 A 02744 159.601 108.668 74.843 1.00737.35 C ATOM 57858 C6 A 02744 160.215 107.534 74.280 1.00737.35 C ATOM 57859 N6 A 02744 161.406 107.559 73.678 1.00737.35 N ATOM 57860 N1 A 02744 159.556 106.359 74.361 1.00737.35 N ATOM 57861 C2 A 02744 158.362 106.333 74.965 1.00737.35 C ATOM 57862 N3 A 02744 157.681 107.328 75.529 1.00737.35 N ATOM 57863 C4 A 02744 158.363 108.483 75.433 1.00737.35 C ATOM 57864 P A 02745 157.571 111.963 81.106 1.00737.35 P ATOM 57865 O1P A 02745 156.888 113.201 81.561 1.00737.35 O ATOM 57866 O2P A 02745 158.965 112.042 80.591 1.00737.35 O ATOM 57867 O5* A 02745 157.543 110.922 82.314 1.00737.35 O ATOM 57868 C5* A 02745 158.240 109.682 82.226 1.00737.35 C ATOM 57869 C4* A 02745 157.711 108.710 83.254 1.00737.35 C ATOM 57870 O4* A 02745 156.293 108.499 83.031 1.00737.35 O ATOM 57871 C3* A 02745 158.316 107.315 83.177 1.00737.35 C ATOM 57872 O3* A 02745 159.532 107.245 83.917 1.00737.35 O ATOM 57873 C2* A 02745 157.232 106.454 83.815 1.00737.35 C ATOM 57874 O2* A 02745 157.273 106.468 85.228 1.00737.35 O ATOM 57875 C1* A 02745 155.958 107.156 83.332 1.00737.35 C ATOM 57876 N9 A 02745 155.306 106.566 82.158 1.00737.35 N ATOM 57877 C8 A 02745 153.968 106.630 81.863 1.00737.35 C ATOM 57878 N7 A 02745 153.638 106.010 80.757 1.00737.35 N ATOM 57879 C5 A 02745 154.840 105.500 80.290 1.00737.35 C ATOM 57880 C6 A 02745 155.164 104.740 79.153 1.00737.35 C ATOM 57881 N6 A 02745 154.268 104.343 78.246 1.00737.35 N ATOM 57882 N1 A 02745 156.458 104.393 78.976 1.00737.35 N ATOM 57883 C2 A 02745 157.356 104.791 79.887 1.00737.35 C ATOM 57884 N3 A 02745 157.173 105.507 80.994 1.00737.35 N ATOM 57885 C4 A 02745 155.877 105.833 81.141 1.00737.35 C ATOM 57886 P G 02746 160.942 107.277 83.144 1.00737.35 P ATOM 57887 O1P G 02746 161.912 106.510 83.968 1.00737.35 O ATOM 57888 O2P G 02746 161.239 108.688 82.789 1.00737.35 O ATOM 57889 O5* G 02746 160.683 106.471 81.793 1.00737.35 O ATOM 57890 C5* G 02746 160.471 105.059 81.804 1.00737.35 C ATOM 57891 C4* G 02746 161.085 104.434 80.574 1.00737.35 C ATOM 57892 O4* G 02746 160.449 104.987 79.389 1.00737.35 O ATOM 57893 C3* G 02746 162.566 104.718 80.378 1.00737.35 C ATOM 57894 O3* G 02746 163.368 103.784 81.092 1.00737.35 O ATOM 57895 C2* G 02746 162.729 104.575 78.871 1.00737.35 C ATOM 57896 O2* G 02746 162.826 103.230 78.446 1.00737.35 O ATOM 57897 C1* G 02746 161.416 105.184 78.369 1.00737.35 C ATOM 57898 N9 G 02746 161.507 106.618 78.090 1.00737.35 N ATOM 57899 C8 G 02746 160.762 107.623 78.661 1.00737.35 C ATOM 57900 N7 G 02746 161.067 108.809 78.208 1.00737.35 N ATOM 57901 C5 G 02746 162.073 108.575 77.281 1.00737.35 C ATOM 57902 C6 G 02746 162.799 109.481 76.466 1.00737.35 C ATOM 57903 O6 G 02746 162.692 110.711 76.397 1.00737.35 O ATOM 57904 N1 G 02746 163.730 108.821 75.670 1.00737.35 N ATOM 57905 C2 G 02746 163.936 107.463 75.658 1.00737.35 C ATOM 57906 N2 G 02746 164.883 107.018 74.819 1.00737.35 N ATOM 57907 N3 G 02746 163.268 106.607 76.412 1.00737.35 N ATOM 57908 C4 G 02746 162.356 107.228 77.192 1.00737.35 C ATOM 57909 P C 02747 164.702 104.286 81.835 1.00737.35 P ATOM 57910 O1P C 02747 165.384 103.081 82.377 1.00737.35 O ATOM 57911 O2P C 02747 164.339 105.395 82.750 1.00737.35 O ATOM 57912 O5* C 02747 165.598 104.883 80.658 1.00737.35 O ATOM 57913 C5* C 02747 166.287 104.026 79.750 1.00737.35 C ATOM 57914 C4* C 02747 167.306 104.811 78.957 1.00737.35 C ATOM 57915 O4* C 02747 166.627 105.743 78.075 1.00737.35 O ATOM 57916 C3* C 02747 168.245 105.685 79.778 1.00737.35 C ATOM 57917 O3* C 02747 169.346 104.927 80.270 1.00737.35 O ATOM 57918 C2* C 02747 168.677 106.738 78.765 1.00737.35 C ATOM 57919 O2* C 02747 169.712 106.296 77.910 1.00737.35 O ATOM 57920 C1* C 02747 167.388 106.936 77.960 1.00737.35 C ATOM 57921 N1 C 02747 166.562 108.075 78.416 1.00737.35 N ATOM 57922 C2 C 02747 166.893 109.372 77.985 1.00737.35 C ATOM 57923 O2 C 02747 167.875 109.535 77.240 1.00737.35 O ATOM 57924 N3 C 02747 166.134 110.416 78.392 1.00737.35 N ATOM 57925 C4 C 02747 165.088 110.207 79.196 1.00737.35 C ATOM 57926 N4 C 02747 164.367 111.267 79.569 1.00737.35 N ATOM 57927 C5 C 02747 164.732 108.904 79.652 1.00737.35 C ATOM 57928 C6 C 02747 165.489 107.878 79.242 1.00737.35 C ATOM 57929 P C 02748 169.999 105.301 81.691 1.00737.35 P ATOM 57930 O1P C 02748 170.992 104.245 82.009 1.00737.35 O ATOM 57931 O2P C 02748 168.905 105.592 82.652 1.00737.35 O ATOM 57932 O5* C 02748 170.784 106.659 81.407 1.00737.35 O ATOM 57933 C5* C 02748 171.979 106.664 80.626 1.00737.35 C ATOM 57934 C4* C 02748 172.476 108.078 80.434 1.00737.35 C ATOM 57935 O4* C 02748 171.509 108.828 79.653 1.00737.35 O ATOM 57936 C3* C 02748 172.647 108.898 81.704 1.00737.35 C ATOM 57937 O3* C 02748 173.904 108.638 82.317 1.00737.35 O ATOM 57938 C2* C 02748 172.555 110.326 81.179 1.00737.35 C ATOM 57939 O2* C 02748 173.766 110.791 80.615 1.00737.35 O ATOM 57940 C1* C 02748 171.493 110.181 80.084 1.00737.35 C ATOM 57941 N1 C 02748 170.129 110.523 80.535 1.00737.35 N ATOM 57942 C2 C 02748 169.733 111.873 80.535 1.00737.35 C ATOM 57943 O2 C 02748 170.539 112.743 80.159 1.00737.35 O ATOM 57944 N3 C 02748 168.485 112.195 80.946 1.00737.35 N ATOM 57945 C4 C 02748 167.647 111.239 81.347 1.00737.35 C ATOM 57946 N4 C 02748 166.425 111.606 81.746 1.00737.35 N ATOM 57947 C5 C 02748 168.019 109.863 81.357 1.00737.35 C ATOM 57948 C6 C 02748 169.256 109.554 80.947 1.00737.35 C ATOM 57949 P A 02749 174.055 108.765 83.914 1.00737.35 P ATOM 57950 O1P A 02749 175.473 108.482 84.249 1.00737.35 O ATOM 57951 O2P A 02749 172.980 107.964 84.551 1.00737.35 O ATOM 57952 O5* A 02749 173.768 110.307 84.208 1.00737.35 O ATOM 57953 C5* A 02749 174.654 111.319 83.737 1.00737.35 C ATOM 57954 C4* A 02749 174.039 112.687 83.930 1.00737.35 C ATOM 57955 O4* A 02749 172.835 112.792 83.124 1.00737.35 O ATOM 57956 C3* A 02749 173.575 113.011 85.340 1.00737.35 C ATOM 57957 O3* A 02749 174.651 113.498 86.138 1.00737.35 O ATOM 57958 C2* A 02749 172.524 114.087 85.095 1.00737.35 C ATOM 57959 O2* A 02749 173.080 115.371 84.885 1.00737.35 O ATOM 57960 C1* A 02749 171.875 113.585 83.802 1.00737.35 C ATOM 57961 N9 A 02749 170.675 112.775 84.033 1.00737.35 N ATOM 57962 C8 A 02749 170.549 111.408 83.958 1.00737.35 C ATOM 57963 N7 A 02749 169.339 110.976 84.220 1.00737.35 N ATOM 57964 C5 A 02749 168.620 112.133 84.484 1.00737.35 C ATOM 57965 C6 A 02749 167.273 112.353 84.826 1.00737.35 C ATOM 57966 N6 A 02749 166.376 111.376 84.968 1.00737.35 N ATOM 57967 N1 A 02749 166.877 113.629 85.023 1.00737.35 N ATOM 57968 C2 A 02749 167.777 114.608 84.880 1.00737.35 C ATOM 57969 N3 A 02749 169.068 114.530 84.559 1.00737.35 N ATOM 57970 C4 A 02749 169.431 113.249 84.371 1.00737.35 C ATOM 57971 P G 02750 174.665 113.204 87.719 1.00737.35 P ATOM 57972 O1P G 02750 175.813 113.951 88.295 1.00737.35 O ATOM 57973 O2P G 02750 174.571 111.736 87.924 1.00737.35 O ATOM 57974 O5* G 02750 173.318 113.868 88.249 1.00737.35 O ATOM 57975 C5* G 02750 173.135 115.283 88.218 1.00737.35 C ATOM 57976 C4* G 02750 171.732 115.644 88.653 1.00737.35 C ATOM 57977 O4* G 02750 170.776 115.101 87.702 1.00737.35 O ATOM 57978 C3* G 02750 171.289 115.074 89.990 1.00737.35 C ATOM 57979 O3* G 02750 171.732 115.885 91.072 1.00737.35 O ATOM 57980 C2* G 02750 169.771 115.086 89.856 1.00737.35 C ATOM 57981 O2* G 02750 169.202 116.359 90.098 1.00737.35 O ATOM 57982 C1* G 02750 169.595 114.710 88.383 1.00737.35 C ATOM 57983 N9 G 02750 169.393 113.276 88.178 1.00737.35 N ATOM 57984 C8 G 02750 170.360 112.321 87.972 1.00737.35 C ATOM 57985 N7 G 02750 169.869 111.120 87.830 1.00737.35 N ATOM 57986 C5 G 02750 168.497 111.290 87.947 1.00737.35 C ATOM 57987 C6 G 02750 167.444 110.341 87.879 1.00737.35 C ATOM 57988 O6 G 02750 167.515 109.120 87.695 1.00737.35 O ATOM 57989 N1 G 02750 166.202 110.946 88.048 1.00737.35 N ATOM 57990 C2 G 02750 165.998 112.286 88.258 1.00737.35 C ATOM 57991 N2 G 02750 164.720 112.675 88.398 1.00737.35 N ATOM 57992 N3 G 02750 166.969 113.180 88.323 1.00737.35 N ATOM 57993 C4 G 02750 168.186 112.616 88.161 1.00737.35 C ATOM 57994 P C 02751 172.286 115.188 92.411 1.00737.35 P ATOM 57995 O1P C 02751 172.565 116.274 93.388 1.00737.35 O ATOM 57996 O2P C 02751 173.374 114.248 92.031 1.00737.35 O ATOM 57997 O5* C 02751 171.051 114.333 92.941 1.00737.35 O ATOM 57998 C5* C 02751 169.991 114.945 93.673 1.00737.35 C ATOM 57999 C4* C 02751 169.187 113.900 94.410 1.00737.35 C ATOM 58000 O4* C 02751 168.452 113.082 93.465 1.00737.35 O ATOM 58001 C3* C 02751 169.993 112.899 95.224 1.00737.35 C ATOM 58002 O3* C 02751 170.334 113.436 96.497 1.00737.35 O ATOM 58003 C2* C 02751 169.030 111.721 95.333 1.00737.35 C ATOM 58004 O2* C 02751 168.066 111.884 96.355 1.00737.35 O ATOM 58005 C1* C 02751 168.342 111.757 93.964 1.00737.35 C ATOM 58006 N1 C 02751 168.917 110.822 92.974 1.00737.35 N ATOM 58007 C2 C 02751 168.519 109.472 93.000 1.00737.35 C ATOM 58008 O2 C 02751 167.705 109.096 93.861 1.00737.35 O ATOM 58009 N3 C 02751 169.033 108.615 92.090 1.00737.35 N ATOM 58010 C4 C 02751 169.911 109.050 91.182 1.00737.35 C ATOM 58011 N4 C 02751 170.388 108.165 90.303 1.00737.35 N ATOM 58012 C5 C 02751 170.335 110.409 91.135 1.00737.35 C ATOM 58013 C6 C 02751 169.820 111.252 92.039 1.00737.35 C ATOM 58014 P C 02752 171.744 113.056 97.169 1.00737.35 P ATOM 58015 O1P C 02752 171.901 113.908 98.377 1.00737.35 O ATOM 58016 O2P C 02752 172.794 113.078 96.117 1.00737.35 O ATOM 58017 O5* C 02752 171.547 111.548 97.644 1.00737.35 O ATOM 58018 C5* C 02752 170.676 111.230 98.727 1.00737.35 C ATOM 58019 C4* C 02752 170.539 109.731 98.870 1.00737.35 C ATOM 58020 O4* C 02752 169.891 109.187 97.691 1.00737.35 O ATOM 58021 C3* C 02752 171.838 108.949 98.971 1.00737.35 C ATOM 58022 O3* C 02752 172.345 108.958 100.301 1.00737.35 O ATOM 58023 C2* C 02752 171.408 107.555 98.530 1.00737.35 C ATOM 58024 O2* C 02752 170.782 106.815 99.559 1.00737.35 O ATOM 58025 C1* C 02752 170.391 107.884 97.434 1.00737.35 C ATOM 58026 N1 C 02752 170.963 107.848 96.072 1.00737.35 N ATOM 58027 C2 C 02752 170.976 106.627 95.375 1.00737.35 C ATOM 58028 O2 C 02752 170.502 105.614 95.919 1.00737.35 O ATOM 58029 N3 C 02752 171.503 106.581 94.131 1.00737.35 N ATOM 58030 C4 C 02752 172.004 107.688 93.578 1.00737.35 C ATOM 58031 N4 C 02752 172.517 107.592 92.348 1.00737.35 N ATOM 58032 C5 C 02752 172.002 108.941 94.256 1.00737.35 C ATOM 58033 C6 C 02752 171.477 108.976 95.489 1.00737.35 C ATOM 58034 P C 02753 173.920 108.763 100.555 1.00737.35 P ATOM 58035 O1P C 02753 174.157 108.930 102.012 1.00737.35 O ATOM 58036 O2P C 02753 174.664 109.614 99.590 1.00737.35 O ATOM 58037 O5* C 02753 174.181 107.237 100.178 1.00737.35 O ATOM 58038 C5* C 02753 173.680 106.185 100.999 1.00737.35 C ATOM 58039 C4* C 02753 174.051 104.839 100.420 1.00737.35 C ATOM 58040 O4* C 02753 173.366 104.647 99.154 1.00737.35 O ATOM 58041 C3* C 02753 175.520 104.645 100.079 1.00737.35 C ATOM 58042 O3* C 02753 176.268 104.270 101.230 1.00737.35 O ATOM 58043 C2* C 02753 175.466 103.530 99.041 1.00737.35 C ATOM 58044 O2* C 02753 175.342 102.243 99.616 1.00737.35 O ATOM 58045 C1* C 02753 174.184 103.884 98.281 1.00737.35 C ATOM 58046 N1 C 02753 174.427 104.664 97.048 1.00737.35 N ATOM 58047 C2 C 02753 174.723 103.975 95.859 1.00737.35 C ATOM 58048 O2 C 02753 174.769 102.733 95.873 1.00737.35 O ATOM 58049 N3 C 02753 174.950 104.681 94.728 1.00737.35 N ATOM 58050 C4 C 02753 174.895 106.014 94.750 1.00737.35 C ATOM 58051 N4 C 02753 175.129 106.666 93.608 1.00737.35 N ATOM 58052 C5 C 02753 174.595 106.738 95.940 1.00737.35 C ATOM 58053 C6 C 02753 174.372 106.031 97.054 1.00737.35 C ATOM 58054 P C 02754 177.821 104.673 101.338 1.00737.35 P ATOM 58055 O1P C 02754 178.263 104.355 102.721 1.00737.35 O ATOM 58056 O2P C 02754 177.989 106.054 100.816 1.00737.35 O ATOM 58057 O5* C 02754 178.549 103.671 100.334 1.00737.35 O ATOM 58058 C5* C 02754 178.812 102.318 100.706 1.00737.35 C ATOM 58059 C4* C 02754 179.648 101.631 99.650 1.00737.35 C ATOM 58060 O4* C 02754 178.876 101.504 98.428 1.00737.35 O ATOM 58061 C3* C 02754 180.910 102.365 99.224 1.00737.35 C ATOM 58062 O3* C 02754 181.987 102.105 100.120 1.00737.35 O ATOM 58063 C2* C 02754 181.166 101.784 97.836 1.00737.35 C ATOM 58064 O2* C 02754 181.813 100.527 97.872 1.00737.35 O ATOM 58065 C1* C 02754 179.738 101.624 97.305 1.00737.35 C ATOM 58066 N1 C 02754 179.286 102.763 96.478 1.00737.35 N ATOM 58067 C2 C 02754 179.541 102.746 95.091 1.00737.35 C ATOM 58068 O2 C 02754 180.138 101.776 94.593 1.00737.35 O ATOM 58069 N3 C 02754 179.127 103.788 94.336 1.00737.35 N ATOM 58070 C4 C 02754 178.487 104.815 94.901 1.00737.35 C ATOM 58071 N4 C 02754 178.099 105.821 94.116 1.00737.35 N ATOM 58072 C5 C 02754 178.218 104.859 96.300 1.00737.35 C ATOM 58073 C6 C 02754 178.629 103.823 97.042 1.00737.35 C ATOM 58074 P A 02755 183.117 103.225 100.360 1.00737.35 P ATOM 58075 O1P A 02755 183.996 102.735 101.452 1.00737.35 O ATOM 58076 O2P A 02755 182.449 104.546 100.493 1.00737.35 O ATOM 58077 O5* A 02755 183.955 103.230 99.003 1.00737.35 O ATOM 58078 C5* A 02755 184.663 102.070 98.572 1.00737.35 C ATOM 58079 C4* A 02755 184.937 102.138 97.085 1.00737.35 C ATOM 58080 O4* A 02755 183.673 102.238 96.374 1.00737.35 O ATOM 58081 C3* A 02755 185.740 103.338 96.605 1.00737.35 C ATOM 58082 O3* A 02755 187.139 103.086 96.726 1.00737.35 O ATOM 58083 C2* A 02755 185.302 103.449 95.148 1.00737.35 C ATOM 58084 O2* A 02755 185.940 102.514 94.297 1.00737.35 O ATOM 58085 C1* A 02755 183.817 103.104 95.257 1.00737.35 C ATOM 58086 N9 A 02755 182.971 104.279 95.472 1.00737.35 N ATOM 58087 C8 A 02755 182.489 104.763 96.665 1.00737.35 C ATOM 58088 N7 A 02755 181.760 105.844 96.542 1.00737.35 N ATOM 58089 C5 A 02755 181.756 106.090 95.176 1.00737.35 C ATOM 58090 C6 A 02755 181.159 107.100 94.400 1.00737.35 C ATOM 58091 N6 A 02755 180.420 108.088 94.911 1.00737.35 N ATOM 58092 N1 A 02755 181.352 107.060 93.065 1.00737.35 N ATOM 58093 C2 A 02755 182.096 106.072 92.554 1.00737.35 C ATOM 58094 N3 A 02755 182.709 105.069 93.178 1.00737.35 N ATOM 58095 C4 A 02755 182.497 105.137 94.505 1.00737.35 C ATOM 58096 P A 02756 188.196 104.279 96.491 1.00737.35 P ATOM 58097 O1P A 02756 189.039 104.363 97.711 1.00737.35 O ATOM 58098 O2P A 02756 187.476 105.491 96.017 1.00737.35 O ATOM 58099 O5* A 02756 189.115 103.759 95.297 1.00737.35 O ATOM 58100 C5* A 02756 188.904 102.479 94.704 1.00737.35 C ATOM 58101 C4* A 02756 189.500 102.440 93.317 1.00737.35 C ATOM 58102 O4* A 02756 188.862 103.448 92.495 1.00737.35 O ATOM 58103 C3* A 02756 190.985 102.757 93.239 1.00737.35 C ATOM 58104 O3* A 02756 191.744 101.569 93.434 1.00737.35 O ATOM 58105 C2* A 02756 191.142 103.283 91.816 1.00737.35 C ATOM 58106 O2* A 02756 191.288 102.259 90.852 1.00737.35 O ATOM 58107 C1* A 02756 189.812 104.008 91.603 1.00737.35 C ATOM 58108 N9 A 02756 189.865 105.453 91.830 1.00737.35 N ATOM 58109 C8 A 02756 189.494 106.166 92.945 1.00737.35 C ATOM 58110 N7 A 02756 189.641 107.463 92.816 1.00737.35 N ATOM 58111 C5 A 02756 190.148 107.614 91.534 1.00737.35 C ATOM 58112 C6 A 02756 190.515 108.750 90.786 1.00737.35 C ATOM 58113 N6 A 02756 190.417 110.001 91.242 1.00737.35 N ATOM 58114 N1 A 02756 190.992 108.552 89.537 1.00737.35 N ATOM 58115 C2 A 02756 191.083 107.299 89.078 1.00737.35 C ATOM 58116 N3 A 02756 190.766 106.156 89.680 1.00737.35 N ATOM 58117 C4 A 02756 190.299 106.385 90.917 1.00737.35 C ATOM 58118 P G 02757 193.237 101.662 94.021 1.00737.35 P ATOM 58119 O1P G 02757 193.131 101.571 95.500 1.00737.35 O ATOM 58120 O2P G 02757 193.920 102.831 93.405 1.00737.35 O ATOM 58121 O5* G 02757 193.929 100.329 93.491 1.00737.35 O ATOM 58122 C5* G 02757 194.158 100.124 92.096 1.00737.35 C ATOM 58123 C4* G 02757 193.750 98.724 91.698 1.00737.35 C ATOM 58124 O4* G 02757 194.492 97.771 92.501 1.00737.35 O ATOM 58125 C3* G 02757 192.286 98.370 91.917 1.00737.35 C ATOM 58126 O3* G 02757 191.540 98.732 90.756 1.00737.35 O ATOM 58127 C2* G 02757 192.331 96.858 92.112 1.00737.35 C ATOM 58128 O2* G 02757 192.373 96.141 90.892 1.00737.35 O ATOM 58129 C1* G 02757 193.661 96.680 92.850 1.00737.35 C ATOM 58130 N9 G 02757 193.578 96.633 94.308 1.00737.35 N ATOM 58131 C8 G 02757 192.478 96.839 95.105 1.00737.35 C ATOM 58132 N7 G 02757 192.743 96.740 96.381 1.00737.35 N ATOM 58133 C5 G 02757 194.099 96.450 96.428 1.00737.35 C ATOM 58134 C6 G 02757 194.960 96.239 97.539 1.00737.35 C ATOM 58135 O6 G 02757 194.689 96.270 98.748 1.00737.35 O ATOM 58136 N1 G 02757 196.264 95.971 97.129 1.00737.35 N ATOM 58137 C2 G 02757 196.687 95.917 95.823 1.00737.35 C ATOM 58138 N2 G 02757 197.988 95.644 95.627 1.00737.35 N ATOM 58139 N3 G 02757 195.897 96.112 94.785 1.00737.35 N ATOM 58140 C4 G 02757 194.626 96.373 95.156 1.00737.35 C ATOM 58141 P A 02758 189.947 98.942 90.847 1.00737.35 P ATOM 58142 O1P A 02758 189.674 99.878 91.964 1.00737.35 O ATOM 58143 O2P A 02758 189.300 97.605 90.838 1.00737.35 O ATOM 58144 O5* A 02758 189.594 99.677 89.477 1.00737.35 O ATOM 58145 C5* A 02758 189.881 99.058 88.223 1.00737.35 C ATOM 58146 C4* A 02758 190.119 100.104 87.152 1.00737.35 C ATOM 58147 O4* A 02758 188.903 100.866 86.934 1.00737.35 O ATOM 58148 C3* A 02758 191.174 101.158 87.447 1.00737.35 C ATOM 58149 O3* A 02758 192.483 100.685 87.139 1.00737.35 O ATOM 58150 C2* A 02758 190.761 102.296 86.517 1.00737.35 C ATOM 58151 O2* A 02758 191.206 102.114 85.188 1.00737.35 O ATOM 58152 C1* A 02758 189.233 102.197 86.571 1.00737.35 C ATOM 58153 N9 A 02758 188.621 103.114 87.536 1.00737.35 N ATOM 58154 C8 A 02758 188.066 102.819 88.759 1.00737.35 C ATOM 58155 N7 A 02758 187.594 103.865 89.392 1.00737.35 N ATOM 58156 C5 A 02758 187.856 104.921 88.531 1.00737.35 C ATOM 58157 C6 A 02758 187.600 106.302 88.623 1.00737.35 C ATOM 58158 N6 A 02758 187.001 106.876 89.667 1.00737.35 N ATOM 58159 N1 A 02758 187.989 107.082 87.592 1.00737.35 N ATOM 58160 C2 A 02758 188.592 106.505 86.543 1.00737.35 C ATOM 58161 N3 A 02758 188.886 105.222 86.341 1.00737.35 N ATOM 58162 C4 A 02758 188.487 104.476 87.384 1.00737.35 C ATOM 58163 P U 02759 193.770 101.422 87.765 1.00737.35 P ATOM 58164 O1P U 02759 193.783 101.126 89.220 1.00737.35 O ATOM 58165 O2P U 02759 193.765 102.833 87.303 1.00737.35 O ATOM 58166 O5* U 02759 195.009 100.679 87.095 1.00737.35 O ATOM 58167 C5* U 02759 196.346 101.129 87.319 1.00737.35 C ATOM 58168 C4* U 02759 197.300 99.956 87.304 1.00737.35 C ATOM 58169 O4* U 02759 196.942 99.064 88.393 1.00737.35 O ATOM 58170 C3* U 02759 197.229 99.086 86.054 1.00737.35 C ATOM 58171 O3* U 02759 198.073 99.481 84.959 1.00737.35 O ATOM 58172 C2* U 02759 197.705 97.733 86.577 1.00737.35 C ATOM 58173 O2* U 02759 199.113 97.620 86.636 1.00737.35 O ATOM 58174 C1* U 02759 197.119 97.719 87.989 1.00737.35 C ATOM 58175 N1 U 02759 195.824 97.024 88.071 1.00737.35 N ATOM 58176 C2 U 02759 195.832 95.676 88.398 1.00737.35 C ATOM 58177 O2 U 02759 196.855 95.054 88.642 1.00737.35 O ATOM 58178 N3 U 02759 194.595 95.080 88.433 1.00737.35 N ATOM 58179 C4 U 02759 193.377 95.677 88.182 1.00737.35 C ATOM 58180 O4 U 02759 192.348 95.001 88.249 1.00737.35 O ATOM 58181 C5 U 02759 193.447 97.069 87.861 1.00737.35 C ATOM 58182 C6 U 02759 194.636 97.679 87.816 1.00737.35 C ATOM 58183 P G 02760 199.143 100.680 85.117 1.00737.35 P ATOM 58184 O1P G 02760 199.822 100.805 83.801 1.00737.35 O ATOM 58185 O2P G 02760 199.955 100.441 86.336 1.00737.35 O ATOM 58186 O5* G 02760 198.282 102.004 85.331 1.00737.35 O ATOM 58187 C5* G 02760 198.931 103.270 85.450 1.00737.35 C ATOM 58188 C4* G 02760 198.128 104.348 84.761 1.00737.35 C ATOM 58189 O4* G 02760 197.840 103.928 83.401 1.00737.35 O ATOM 58190 C3* G 02760 196.765 104.657 85.359 1.00737.35 C ATOM 58191 O3* G 02760 196.900 105.613 86.411 1.00737.35 O ATOM 58192 C2* G 02760 196.014 105.246 84.168 1.00737.35 C ATOM 58193 O2* G 02760 196.317 106.609 83.939 1.00737.35 O ATOM 58194 C1* G 02760 196.559 104.398 83.015 1.00737.35 C ATOM 58195 N9 G 02760 195.717 103.249 82.690 1.00737.35 N ATOM 58196 C8 G 02760 195.842 101.965 83.167 1.00737.35 C ATOM 58197 N7 G 02760 194.934 101.152 82.696 1.00737.35 N ATOM 58198 C5 G 02760 194.163 101.947 81.859 1.00737.35 C ATOM 58199 C6 G 02760 193.028 101.620 81.070 1.00737.35 C ATOM 58200 O6 G 02760 192.461 100.526 80.952 1.00737.35 O ATOM 58201 N1 G 02760 192.557 102.726 80.373 1.00737.35 N ATOM 58202 C2 G 02760 193.099 103.985 80.424 1.00737.35 C ATOM 58203 N2 G 02760 192.497 104.921 79.678 1.00737.35 N ATOM 58204 N3 G 02760 194.155 104.304 81.155 1.00737.35 N ATOM 58205 C4 G 02760 194.633 103.243 81.842 1.00737.35 C ATOM 58206 P A 02761 195.685 105.857 87.441 1.00737.35 P ATOM 58207 O1P A 02761 194.410 105.534 86.745 1.00737.35 O ATOM 58208 O2P A 02761 195.868 107.203 88.041 1.00737.35 O ATOM 58209 O5* A 02761 195.911 104.772 88.585 1.00737.35 O ATOM 58210 C5* A 02761 194.943 104.599 89.619 1.00737.35 C ATOM 58211 C4* A 02761 195.552 103.890 90.808 1.00737.35 C ATOM 58212 O4* A 02761 196.000 102.568 90.413 1.00737.35 O ATOM 58213 C3* A 02761 196.789 104.524 91.426 1.00737.35 C ATOM 58214 O3* A 02761 196.434 105.573 92.321 1.00737.35 O ATOM 58215 C2* A 02761 197.413 103.346 92.166 1.00737.35 C ATOM 58216 O2* A 02761 196.811 103.099 93.422 1.00737.35 O ATOM 58217 C1* A 02761 197.106 102.186 91.214 1.00737.35 C ATOM 58218 N9 A 02761 198.226 101.842 90.335 1.00737.35 N ATOM 58219 C8 A 02761 198.716 102.546 89.262 1.00737.35 C ATOM 58220 N7 A 02761 199.745 101.977 88.681 1.00737.35 N ATOM 58221 C5 A 02761 199.945 100.816 89.418 1.00737.35 C ATOM 58222 C6 A 02761 200.885 99.776 89.309 1.00737.35 C ATOM 58223 N6 A 02761 201.840 99.734 88.378 1.00737.35 N ATOM 58224 N1 A 02761 200.808 98.766 90.202 1.00737.35 N ATOM 58225 C2 A 02761 199.851 98.809 91.136 1.00737.35 C ATOM 58226 N3 A 02761 198.913 99.730 91.343 1.00737.35 N ATOM 58227 C4 A 02761 199.016 100.721 90.440 1.00737.35 C ATOM 58228 P G 02762 197.533 106.668 92.756 1.00737.35 P ATOM 58229 O1P G 02762 198.838 106.339 92.123 1.00737.35 O ATOM 58230 O2P G 02762 197.448 106.795 94.232 1.00737.35 O ATOM 58231 O5* G 02762 196.996 108.029 92.125 1.00737.35 O ATOM 58232 C5* G 02762 197.200 108.338 90.748 1.00737.35 C ATOM 58233 C4* G 02762 196.335 109.509 90.341 1.00737.35 C ATOM 58234 O4* G 02762 194.937 109.131 90.471 1.00737.35 O ATOM 58235 C3* G 02762 196.472 110.756 91.201 1.00737.35 C ATOM 58236 O3* G 02762 197.553 111.579 90.770 1.00737.35 O ATOM 58237 C2* G 02762 195.125 111.435 91.000 1.00737.35 C ATOM 58238 O2* G 02762 195.034 112.144 89.780 1.00737.35 O ATOM 58239 C1* G 02762 194.187 110.225 90.976 1.00737.35 C ATOM 58240 N9 G 02762 193.687 109.869 92.302 1.00737.35 N ATOM 58241 C8 G 02762 193.944 108.714 93.004 1.00737.35 C ATOM 58242 N7 G 02762 193.361 108.684 94.171 1.00737.35 N ATOM 58243 C5 G 02762 192.675 109.889 94.246 1.00737.35 C ATOM 58244 C6 G 02762 191.861 110.419 95.280 1.00737.35 C ATOM 58245 O6 G 02762 191.575 109.914 96.370 1.00737.35 O ATOM 58246 N1 G 02762 191.359 111.672 94.942 1.00737.35 N ATOM 58247 C2 G 02762 191.608 112.333 93.764 1.00737.35 C ATOM 58248 N2 G 02762 191.031 113.535 93.625 1.00737.35 N ATOM 58249 N3 G 02762 192.365 111.848 92.793 1.00737.35 N ATOM 58250 C4 G 02762 192.862 110.631 93.099 1.00737.35 C ATOM 58251 P U 02763 198.368 112.453 91.847 1.00737.35 P ATOM 58252 O1P U 02763 199.312 113.333 91.111 1.00737.35 O ATOM 58253 O2P U 02763 198.886 111.520 92.879 1.00737.35 O ATOM 58254 O5* U 02763 197.255 113.370 92.528 1.00737.35 O ATOM 58255 C5* U 02763 196.549 114.351 91.769 1.00737.35 C ATOM 58256 C4* U 02763 195.561 115.088 92.645 1.00737.35 C ATOM 58257 O4* U 02763 194.566 114.156 93.147 1.00737.35 O ATOM 58258 C3* U 02763 196.125 115.733 93.899 1.00737.35 C ATOM 58259 O3* U 02763 196.699 117.005 93.609 1.00737.35 O ATOM 58260 C2* U 02763 194.886 115.862 94.782 1.00737.35 C ATOM 58261 O2* U 02763 194.091 116.986 94.466 1.00737.35 O ATOM 58262 C1* U 02763 194.128 114.578 94.431 1.00737.35 C ATOM 58263 N1 U 02763 194.338 113.485 95.396 1.00737.35 N ATOM 58264 C2 U 02763 193.547 113.472 96.538 1.00737.35 C ATOM 58265 O2 U 02763 192.698 114.322 96.770 1.00737.35 O ATOM 58266 N3 U 02763 193.788 112.430 97.401 1.00737.35 N ATOM 58267 C4 U 02763 194.716 111.419 97.247 1.00737.35 C ATOM 58268 O4 U 02763 194.812 110.548 98.113 1.00737.35 O ATOM 58269 C5 U 02763 195.492 111.501 96.048 1.00737.35 C ATOM 58270 C6 U 02763 195.284 112.502 95.185 1.00737.35 C ATOM 58271 P U 02764 197.783 117.638 94.613 1.00737.35 P ATOM 58272 O1P U 02764 198.288 118.900 94.013 1.00737.35 O ATOM 58273 O2P U 02764 198.747 116.565 94.975 1.00737.35 O ATOM 58274 O5* U 02764 196.938 117.999 95.914 1.00737.35 O ATOM 58275 C5* U 02764 196.015 119.087 95.910 1.00737.35 C ATOM 58276 C4* U 02764 195.402 119.264 97.282 1.00737.35 C ATOM 58277 O4* U 02764 194.580 118.110 97.599 1.00737.35 O ATOM 58278 C3* U 02764 196.382 119.355 98.440 1.00737.35 C ATOM 58279 O3* U 02764 196.884 120.682 98.582 1.00737.35 O ATOM 58280 C2* U 02764 195.523 118.935 99.624 1.00737.35 C ATOM 58281 O2* U 02764 194.713 119.981 100.126 1.00737.35 O ATOM 58282 C1* U 02764 194.642 117.852 98.995 1.00737.35 C ATOM 58283 N1 U 02764 195.146 116.482 99.202 1.00737.35 N ATOM 58284 C2 U 02764 194.779 115.827 100.370 1.00737.35 C ATOM 58285 O2 U 02764 194.067 116.332 101.225 1.00737.35 O ATOM 58286 N3 U 02764 195.280 114.555 100.501 1.00737.35 N ATOM 58287 C4 U 02764 196.088 113.881 99.608 1.00737.35 C ATOM 58288 O4 U 02764 196.457 112.736 99.872 1.00737.35 O ATOM 58289 C5 U 02764 196.425 114.620 98.432 1.00737.35 C ATOM 58290 C6 U 02764 195.954 115.862 98.271 1.00737.35 C ATOM 58291 P C 02765 198.333 120.920 99.238 1.00737.35 P ATOM 58292 O1P C 02765 198.705 122.343 99.026 1.00737.35 O ATOM 58293 O2P C 02765 199.237 119.847 98.751 1.00737.35 O ATOM 58294 O5* C 02765 198.091 120.688 100.796 1.00737.35 O ATOM 58295 C5* C 02765 197.414 121.664 101.585 1.00737.35 C ATOM 58296 C4* C 02765 197.280 121.190 103.014 1.00737.35 C ATOM 58297 O4* C 02765 196.421 120.020 103.060 1.00737.35 O ATOM 58298 C3* C 02765 198.563 120.734 103.689 1.00737.35 C ATOM 58299 O3* C 02765 199.298 121.840 104.208 1.00737.35 O ATOM 58300 C2* C 02765 198.037 119.829 104.797 1.00737.35 C ATOM 58301 O2* C 02765 197.587 120.540 105.933 1.00737.35 O ATOM 58302 C1* C 02765 196.851 119.155 104.103 1.00737.35 C ATOM 58303 N1 C 02765 197.176 117.835 103.526 1.00737.35 N ATOM 58304 C2 C 02765 197.047 116.692 104.336 1.00737.35 C ATOM 58305 O2 C 02765 196.658 116.821 105.510 1.00737.35 O ATOM 58306 N3 C 02765 197.352 115.480 103.818 1.00737.35 N ATOM 58307 C4 C 02765 197.763 115.378 102.552 1.00737.35 C ATOM 58308 N4 C 02765 198.052 114.160 102.087 1.00737.35 N ATOM 58309 C5 C 02765 197.902 116.518 101.709 1.00737.35 C ATOM 58310 C6 C 02765 197.599 117.713 102.230 1.00737.35 C ATOM 58311 P U 02766 200.888 121.718 104.416 1.00737.35 P ATOM 58312 O1P U 02766 201.405 123.047 104.831 1.00737.35 O ATOM 58313 O2P U 02766 201.452 121.055 103.210 1.00737.35 O ATOM 58314 O5* U 02766 201.036 120.713 105.644 1.00737.35 O ATOM 58315 C5* U 02766 200.545 121.061 106.937 1.00737.35 C ATOM 58316 C4* U 02766 200.646 119.879 107.878 1.00737.35 C ATOM 58317 O4* U 02766 199.812 118.797 107.385 1.00737.35 O ATOM 58318 C3* U 02766 202.024 119.257 108.026 1.00737.35 C ATOM 58319 O3* U 02766 202.803 119.972 108.982 1.00737.35 O ATOM 58320 C2* U 02766 201.688 117.846 108.501 1.00737.35 C ATOM 58321 O2* U 02766 201.414 117.775 109.886 1.00737.35 O ATOM 58322 C1* U 02766 200.412 117.550 107.707 1.00737.35 C ATOM 58323 N1 U 02766 200.647 116.800 106.463 1.00737.35 N ATOM 58324 C2 U 02766 200.686 115.413 106.539 1.00737.35 C ATOM 58325 O2 U 02766 200.530 114.798 107.582 1.00737.35 O ATOM 58326 N3 U 02766 200.912 114.774 105.345 1.00737.35 N ATOM 58327 C4 U 02766 201.101 115.359 104.109 1.00737.35 C ATOM 58328 O4 U 02766 201.293 114.643 103.124 1.00737.35 O ATOM 58329 C5 U 02766 201.047 116.789 104.111 1.00737.35 C ATOM 58330 C6 U 02766 200.829 117.444 105.256 1.00737.35 C ATOM 58331 P C 02767 204.404 119.808 108.996 1.00737.35 P ATOM 58332 O1P C 02767 204.967 120.877 109.859 1.00737.35 O ATOM 58333 O2P C 02767 204.866 119.683 107.589 1.00737.35 O ATOM 58334 O5* C 02767 204.638 118.407 109.718 1.00737.35 O ATOM 58335 C5* C 02767 204.232 118.203 111.072 1.00737.35 C ATOM 58336 C4* C 02767 204.485 116.773 111.490 1.00737.35 C ATOM 58337 O4* C 02767 203.700 115.882 110.653 1.00737.35 O ATOM 58338 C3* C 02767 205.914 116.276 111.329 1.00737.35 C ATOM 58339 O3* C 02767 206.708 116.641 112.455 1.00737.35 O ATOM 58340 C2* C 02767 205.722 114.767 111.233 1.00737.35 C ATOM 58341 O2* C 02767 205.553 114.148 112.492 1.00737.35 O ATOM 58342 C1* C 02767 204.419 114.677 110.433 1.00737.35 C ATOM 58343 N1 C 02767 204.629 114.509 108.980 1.00737.35 N ATOM 58344 C2 C 02767 204.774 113.210 108.463 1.00737.35 C ATOM 58345 O2 C 02767 204.721 112.239 109.238 1.00737.35 O ATOM 58346 N3 C 02767 204.967 113.046 107.135 1.00737.35 N ATOM 58347 C4 C 02767 205.021 114.110 106.330 1.00737.35 C ATOM 58348 N4 C 02767 205.212 113.899 105.026 1.00737.35 N ATOM 58349 C5 C 02767 204.877 115.438 106.828 1.00737.35 C ATOM 58350 C6 C 02767 204.685 115.590 108.143 1.00737.35 C ATOM 58351 P C 02768 208.269 116.976 112.255 1.00737.35 P ATOM 58352 O1P C 02768 208.814 117.425 113.564 1.00737.35 O ATOM 58353 O2P C 02768 208.391 117.861 111.069 1.00737.35 O ATOM 58354 O5* C 02768 208.923 115.571 111.886 1.00737.35 O ATOM 58355 C5* C 02768 209.213 114.607 112.897 1.00737.35 C ATOM 58356 C4* C 02768 210.148 113.547 112.357 1.00737.35 C ATOM 58357 O4* C 02768 209.472 112.796 111.313 1.00737.35 O ATOM 58358 C3* C 02768 211.409 114.068 111.689 1.00737.35 C ATOM 58359 O3* C 02768 212.436 114.337 112.640 1.00737.35 O ATOM 58360 C2* C 02768 211.783 112.917 110.762 1.00737.35 C ATOM 58361 O2* C 02768 212.456 111.864 111.422 1.00737.35 O ATOM 58362 C1* C 02768 210.403 112.443 110.299 1.00737.35 C ATOM 58363 N1 C 02768 209.971 113.052 109.025 1.00737.35 N ATOM 58364 C2 C 02768 210.358 112.448 107.815 1.00737.35 C ATOM 58365 O2 C 02768 211.050 111.412 107.841 1.00737.35 O ATOM 58366 N3 C 02768 209.968 113.010 106.646 1.00737.35 N ATOM 58367 C4 C 02768 209.224 114.116 106.649 1.00737.35 C ATOM 58368 N4 C 02768 208.863 114.631 105.472 1.00737.35 N ATOM 58369 C5 C 02768 208.816 114.746 107.859 1.00737.35 C ATOM 58370 C6 C 02768 209.207 114.188 109.012 1.00737.35 C ATOM 58371 P C 02769 213.349 115.653 112.478 1.00737.35 P ATOM 58372 O1P C 02769 214.694 115.353 113.038 1.00737.35 O ATOM 58373 O2P C 02769 212.570 116.797 113.013 1.00737.35 O ATOM 58374 O5* C 02769 213.473 115.838 110.898 1.00737.35 O ATOM 58375 C5* C 02769 214.745 115.920 110.254 1.00737.35 C ATOM 58376 C4* C 02769 215.007 114.657 109.471 1.00737.35 C ATOM 58377 O4* C 02769 213.858 114.355 108.639 1.00737.35 O ATOM 58378 C3* C 02769 216.176 114.701 108.499 1.00737.35 C ATOM 58379 O3* C 02769 217.407 114.437 109.171 1.00737.35 O ATOM 58380 C2* C 02769 215.812 113.594 107.512 1.00737.35 C ATOM 58381 O2* C 02769 216.131 112.301 107.985 1.00737.35 O ATOM 58382 C1* C 02769 214.290 113.744 107.433 1.00737.35 C ATOM 58383 N1 C 02769 213.823 114.557 106.292 1.00737.35 N ATOM 58384 C2 C 02769 213.603 113.927 105.054 1.00737.35 C ATOM 58385 O2 C 02769 213.807 112.706 104.950 1.00737.35 O ATOM 58386 N3 C 02769 213.173 114.666 104.006 1.00737.35 N ATOM 58387 C4 C 02769 212.962 115.976 104.153 1.00737.35 C ATOM 58388 N4 C 02769 212.537 116.662 103.091 1.00737.35 N ATOM 58389 C5 C 02769 213.178 116.640 105.396 1.00737.35 C ATOM 58390 C6 C 02769 213.605 115.900 106.427 1.00737.35 C ATOM 58391 P A 02770 218.792 114.983 108.557 1.00737.35 P ATOM 58392 O1P A 02770 219.842 114.843 109.597 1.00737.35 O ATOM 58393 O2P A 02770 218.533 116.319 107.957 1.00737.35 O ATOM 58394 O5* A 02770 219.124 113.968 107.374 1.00737.35 O ATOM 58395 C5* A 02770 219.032 112.559 107.574 1.00737.35 C ATOM 58396 C4* A 02770 218.979 111.839 106.246 1.00737.35 C ATOM 58397 O4* A 02770 217.915 112.410 105.439 1.00737.35 O ATOM 58398 C3* A 02770 220.219 111.952 105.371 1.00737.35 C ATOM 58399 O3* A 02770 221.148 110.940 105.742 1.00737.35 O ATOM 58400 C2* A 02770 219.653 111.697 103.976 1.00737.35 C ATOM 58401 O2* A 02770 219.485 110.323 103.690 1.00737.35 O ATOM 58402 C1* A 02770 218.281 112.372 104.071 1.00737.35 C ATOM 58403 N9 A 02770 218.256 113.736 103.543 1.00737.35 N ATOM 58404 C8 A 02770 218.629 114.902 104.168 1.00737.35 C ATOM 58405 N7 A 02770 218.483 115.972 103.424 1.00737.35 N ATOM 58406 C5 A 02770 217.981 115.480 102.227 1.00737.35 C ATOM 58407 C6 A 02770 217.613 116.108 101.025 1.00737.35 C ATOM 58408 N6 A 02770 217.697 117.426 100.823 1.00737.35 N ATOM 58409 N1 A 02770 217.149 115.328 100.023 1.00737.35 N ATOM 58410 C2 A 02770 217.066 114.009 100.226 1.00737.35 C ATOM 58411 N3 A 02770 217.380 113.301 101.309 1.00737.35 N ATOM 58412 C4 A 02770 217.837 114.105 102.285 1.00737.35 C ATOM 58413 P C 02771 222.710 111.105 105.387 1.00737.35 P ATOM 58414 O1P C 02771 223.224 112.325 106.061 1.00737.35 O ATOM 58415 O2P C 02771 222.847 110.967 103.914 1.00737.35 O ATOM 58416 O5* C 02771 223.388 109.833 106.068 1.00737.35 O ATOM 58417 C5* C 02771 222.595 108.875 106.767 1.00737.35 C ATOM 58418 C4* C 02771 223.337 108.334 107.965 1.00737.35 C ATOM 58419 O4* C 02771 222.377 107.735 108.875 1.00737.35 O ATOM 58420 C3* C 02771 224.346 107.229 107.683 1.00737.35 C ATOM 58421 O3* C 02771 225.620 107.749 107.316 1.00737.35 O ATOM 58422 C2* C 02771 224.391 106.491 109.016 1.00737.35 C ATOM 58423 O2* C 02771 225.206 107.132 109.976 1.00737.35 O ATOM 58424 C1* C 02771 222.927 106.563 109.451 1.00737.35 C ATOM 58425 N1 C 02771 222.121 105.403 109.013 1.00737.35 N ATOM 58426 C2 C 02771 222.021 104.289 109.860 1.00737.35 C ATOM 58427 O2 C 02771 222.611 104.301 110.955 1.00737.35 O ATOM 58428 N3 C 02771 221.283 103.224 109.463 1.00737.35 N ATOM 58429 C4 C 02771 220.665 103.244 108.280 1.00737.35 C ATOM 58430 N4 C 02771 219.947 102.174 107.931 1.00737.35 N ATOM 58431 C5 C 02771 220.752 104.363 107.401 1.00737.35 C ATOM 58432 C6 C 02771 221.483 105.409 107.803 1.00737.35 C ATOM 58433 P U 02772 226.680 106.806 106.555 1.00737.35 P ATOM 58434 O1P U 02772 227.884 107.619 106.247 1.00737.35 O ATOM 58435 O2P U 02772 225.961 106.116 105.453 1.00737.35 O ATOM 58436 O5* U 02772 227.078 105.709 107.643 1.00737.35 O ATOM 58437 C5* U 02772 227.841 106.065 108.794 1.00737.35 C ATOM 58438 C4* U 02772 227.886 104.920 109.783 1.00737.35 C ATOM 58439 O4* U 02772 226.537 104.598 110.211 1.00737.35 O ATOM 58440 C3* U 02772 228.430 103.595 109.274 1.00737.35 C ATOM 58441 O3* U 02772 229.854 103.571 109.298 1.00737.35 O ATOM 58442 C2* U 02772 227.836 102.608 110.273 1.00737.35 C ATOM 58443 O2* U 02772 228.551 102.554 111.493 1.00737.35 O ATOM 58444 C1* U 02772 226.450 103.212 110.513 1.00737.35 C ATOM 58445 N1 U 02772 225.405 102.599 109.675 1.00737.35 N ATOM 58446 C2 U 02772 224.747 101.484 110.177 1.00737.35 C ATOM 58447 O2 U 02772 224.987 101.005 111.276 1.00737.35 O ATOM 58448 N3 U 02772 223.796 100.949 109.341 1.00737.35 N ATOM 58449 C4 U 02772 223.443 101.401 108.087 1.00737.35 C ATOM 58450 O4 U 02772 222.569 100.806 107.452 1.00737.35 O ATOM 58451 C5 U 02772 224.159 102.557 107.644 1.00737.35 C ATOM 58452 C6 U 02772 225.090 103.104 108.431 1.00737.35 C ATOM 58453 P G 02773 230.650 102.543 108.350 1.00737.35 P ATOM 58454 O1P G 02773 232.106 102.738 108.577 1.00737.35 O ATOM 58455 O2P G 02773 230.099 102.678 106.978 1.00737.35 O ATOM 58456 O5* G 02773 230.243 101.105 108.907 1.00737.35 O ATOM 58457 C5* G 02773 230.667 100.673 110.198 1.00737.35 C ATOM 58458 C4* G 02773 230.009 99.360 110.561 1.00737.35 C ATOM 58459 O4* G 02773 228.571 99.542 110.647 1.00737.35 O ATOM 58460 C3* G 02773 230.184 98.221 109.569 1.00737.35 C ATOM 58461 O3* G 02773 231.433 97.562 109.769 1.00737.35 O ATOM 58462 C2* G 02773 228.994 97.325 109.894 1.00737.35 C ATOM 58463 O2* G 02773 229.212 96.499 111.020 1.00737.35 O ATOM 58464 C1* G 02773 227.913 98.360 110.216 1.00737.35 C ATOM 58465 N9 G 02773 227.061 98.692 109.074 1.00737.35 N ATOM 58466 C8 G 02773 227.139 99.808 108.274 1.00737.35 C ATOM 58467 N7 G 02773 226.237 99.825 107.329 1.00737.35 N ATOM 58468 C5 G 02773 225.522 98.652 107.516 1.00737.35 C ATOM 58469 C6 G 02773 224.419 98.126 106.792 1.00737.35 C ATOM 58470 O6 G 02773 223.834 98.610 105.815 1.00737.35 O ATOM 58471 N1 G 02773 224.002 96.906 107.313 1.00737.35 N ATOM 58472 C2 G 02773 224.568 96.271 108.391 1.00737.35 C ATOM 58473 N2 G 02773 224.020 95.095 108.743 1.00737.35 N ATOM 58474 N3 G 02773 225.593 96.752 109.075 1.00737.35 N ATOM 58475 C4 G 02773 226.018 97.937 108.585 1.00737.35 C ATOM 58476 P U 02774 231.895 96.392 108.763 1.00737.35 P ATOM 58477 O1P U 02774 231.202 95.140 109.162 1.00737.35 O ATOM 58478 O2P U 02774 233.380 96.421 108.709 1.00737.35 O ATOM 58479 O5* U 02774 231.338 96.837 107.337 1.00737.35 O ATOM 58480 C5* U 02774 231.833 97.998 106.676 1.00737.35 C ATOM 58481 C4* U 02774 231.352 98.025 105.243 1.00737.35 C ATOM 58482 O4* U 02774 231.883 96.870 104.539 1.00737.35 O ATOM 58483 C3* U 02774 229.846 97.925 105.054 1.00737.35 C ATOM 58484 O3* U 02774 229.232 99.205 105.157 1.00737.35 O ATOM 58485 C2* U 02774 229.732 97.353 103.645 1.00737.35 C ATOM 58486 O2* U 02774 229.876 98.331 102.634 1.00737.35 O ATOM 58487 C1* U 02774 230.924 96.393 103.609 1.00737.35 C ATOM 58488 N1 U 02774 230.575 95.005 103.964 1.00737.35 N ATOM 58489 C2 U 02774 230.157 94.160 102.942 1.00737.35 C ATOM 58490 O2 U 02774 230.067 94.514 101.776 1.00737.35 O ATOM 58491 N3 U 02774 229.847 92.883 103.341 1.00737.35 N ATOM 58492 C4 U 02774 229.906 92.371 104.620 1.00737.35 C ATOM 58493 O4 U 02774 229.592 91.196 104.816 1.00737.35 O ATOM 58494 C5 U 02774 230.345 93.299 105.615 1.00737.35 C ATOM 58495 C6 U 02774 230.654 94.552 105.263 1.00737.35 C ATOM 58496 P U 02778 216.681 96.818 98.708 1.00737.35 P ATOM 58497 O1P U 02778 217.067 96.689 97.279 1.00737.35 O ATOM 58498 O2P U 02778 215.275 97.138 99.061 1.00737.35 O ATOM 58499 O5* U 02778 217.096 95.476 99.457 1.00737.35 O ATOM 58500 C5* U 02778 216.432 94.245 99.179 1.00737.35 C ATOM 58501 C4* U 02778 217.040 93.124 99.989 1.00737.35 C ATOM 58502 O4* U 02778 218.434 92.961 99.610 1.00737.35 O ATOM 58503 C3* U 02778 217.084 93.341 101.494 1.00737.35 C ATOM 58504 O3* U 02778 215.851 92.968 102.101 1.00737.35 O ATOM 58505 C2* U 02778 218.228 92.427 101.917 1.00737.35 C ATOM 58506 O2* U 02778 217.844 91.072 102.032 1.00737.35 O ATOM 58507 C1* U 02778 219.201 92.594 100.747 1.00737.35 C ATOM 58508 N1 U 02778 220.228 93.624 100.978 1.00737.35 N ATOM 58509 C2 U 02778 221.393 93.244 101.629 1.00737.35 C ATOM 58510 O2 U 02778 221.601 92.101 102.011 1.00737.35 O ATOM 58511 N3 U 02778 222.307 94.250 101.818 1.00737.35 N ATOM 58512 C4 U 02778 222.185 95.568 101.433 1.00737.35 C ATOM 58513 O4 U 02778 223.100 96.358 101.674 1.00737.35 O ATOM 58514 C5 U 02778 220.959 95.885 100.767 1.00737.35 C ATOM 58515 C6 U 02778 220.045 94.930 100.569 1.00737.35 C ATOM 58516 P C 02779 215.395 93.664 103.478 1.00737.35 P ATOM 58517 O1P C 02779 214.054 93.139 103.838 1.00737.35 O ATOM 58518 O2P C 02779 215.594 95.128 103.335 1.00737.35 O ATOM 58519 O5* C 02779 216.448 93.126 104.549 1.00737.35 O ATOM 58520 C5* C 02779 216.559 91.733 104.830 1.00737.35 C ATOM 58521 C4* C 02779 217.697 91.478 105.794 1.00737.35 C ATOM 58522 O4* C 02779 218.945 91.914 105.190 1.00737.35 O ATOM 58523 C3* C 02779 217.635 92.235 107.110 1.00737.35 C ATOM 58524 O3* C 02779 216.812 91.548 108.053 1.00737.35 O ATOM 58525 C2* C 02779 219.096 92.255 107.541 1.00737.35 C ATOM 58526 O2* C 02779 219.517 91.049 108.149 1.00737.35 O ATOM 58527 C1* C 02779 219.807 92.427 106.195 1.00737.35 C ATOM 58528 N1 C 02779 220.137 93.830 105.871 1.00737.35 N ATOM 58529 C2 C 02779 221.313 94.394 106.401 1.00737.35 C ATOM 58530 O2 C 02779 222.044 93.702 107.132 1.00737.35 O ATOM 58531 N3 C 02779 221.620 95.676 106.100 1.00737.35 N ATOM 58532 C4 C 02779 220.814 96.393 105.315 1.00737.35 C ATOM 58533 N4 C 02779 221.163 97.655 105.048 1.00737.35 N ATOM 58534 C5 C 02779 219.616 95.851 104.770 1.00737.35 C ATOM 58535 C6 C 02779 219.318 94.579 105.069 1.00737.35 C ATOM 58536 P A 02780 216.170 92.349 109.291 1.00737.35 P ATOM 58537 O1P A 02780 215.239 91.435 110.001 1.00737.35 O ATOM 58538 O2P A 02780 215.670 93.651 108.780 1.00737.35 O ATOM 58539 O5* A 02780 217.413 92.639 110.245 1.00737.35 O ATOM 58540 C5* A 02780 218.131 91.570 110.863 1.00737.35 C ATOM 58541 C4* A 02780 219.240 92.114 111.731 1.00737.35 C ATOM 58542 O4* A 02780 220.194 92.831 110.905 1.00737.35 O ATOM 58543 C3* A 02780 218.814 93.125 112.785 1.00737.35 C ATOM 58544 O3* A 02780 218.358 92.464 113.964 1.00737.35 O ATOM 58545 C2* A 02780 220.103 93.906 113.027 1.00737.35 C ATOM 58546 O2* A 02780 220.993 93.250 113.906 1.00737.35 O ATOM 58547 C1* A 02780 220.702 93.947 111.618 1.00737.35 C ATOM 58548 N9 A 02780 220.373 95.162 110.870 1.00737.35 N ATOM 58549 C8 A 02780 219.264 95.402 110.095 1.00737.35 C ATOM 58550 N7 A 02780 219.252 96.589 109.538 1.00737.35 N ATOM 58551 C5 A 02780 220.432 97.173 109.976 1.00737.35 C ATOM 58552 C6 A 02780 221.008 98.434 109.737 1.00737.35 C ATOM 58553 N6 A 02780 220.448 99.367 108.960 1.00737.35 N ATOM 58554 N1 A 02780 222.193 98.706 110.326 1.00737.35 N ATOM 58555 C2 A 02780 222.753 97.767 111.100 1.00737.35 C ATOM 58556 N3 A 02780 222.311 96.546 111.399 1.00737.35 N ATOM 58557 C4 A 02780 221.131 96.307 110.798 1.00737.35 C ATOM 58558 P G 02781 217.257 93.169 114.898 1.00737.35 P ATOM 58559 O1P G 02781 216.907 92.225 115.991 1.00737.35 O ATOM 58560 O2P G 02781 216.183 93.695 114.013 1.00737.35 O ATOM 58561 O5* G 02781 218.035 94.402 115.540 1.00737.35 O ATOM 58562 C5* G 02781 217.332 95.545 116.023 1.00737.35 C ATOM 58563 C4* G 02781 218.307 96.633 116.402 1.00737.35 C ATOM 58564 O4* G 02781 219.208 96.876 115.288 1.00737.35 O ATOM 58565 C3* G 02781 217.690 97.989 116.697 1.00737.35 C ATOM 58566 O3* G 02781 217.249 98.085 118.049 1.00737.35 O ATOM 58567 C2* G 02781 218.844 98.942 116.406 1.00737.35 C ATOM 58568 O2* G 02781 219.776 99.027 117.467 1.00737.35 O ATOM 58569 C1* G 02781 219.493 98.262 115.197 1.00737.35 C ATOM 58570 N9 G 02781 218.985 98.753 113.918 1.00737.35 N ATOM 58571 C8 G 02781 217.988 98.198 113.150 1.00737.35 C ATOM 58572 N7 G 02781 217.752 98.868 112.054 1.00737.35 N ATOM 58573 C5 G 02781 218.645 99.928 112.101 1.00737.35 C ATOM 58574 C6 G 02781 218.856 100.991 111.185 1.00737.35 C ATOM 58575 O6 G 02781 218.277 101.213 110.116 1.00737.35 O ATOM 58576 N1 G 02781 219.861 101.849 111.620 1.00737.35 N ATOM 58577 C2 G 02781 220.573 101.706 112.787 1.00737.35 C ATOM 58578 N2 G 02781 221.503 102.640 113.032 1.00737.35 N ATOM 58579 N3 G 02781 220.387 100.720 113.648 1.00737.35 N ATOM 58580 C4 G 02781 219.415 99.874 113.245 1.00737.35 C ATOM 58581 P G 02782 216.010 99.040 118.415 1.00737.35 P ATOM 58582 O1P G 02782 215.905 99.115 119.895 1.00737.35 O ATOM 58583 O2P G 02782 214.843 98.577 117.621 1.00737.35 O ATOM 58584 O5* G 02782 216.453 100.471 117.872 1.00737.35 O ATOM 58585 C5* G 02782 215.502 101.511 117.679 1.00737.35 C ATOM 58586 C4* G 02782 216.183 102.747 117.139 1.00737.35 C ATOM 58587 O4* G 02782 216.897 102.411 115.920 1.00737.35 O ATOM 58588 C3* G 02782 215.251 103.876 116.729 1.00737.35 C ATOM 58589 O3* G 02782 214.905 104.681 117.852 1.00737.35 O ATOM 58590 C2* G 02782 216.092 104.641 115.715 1.00737.35 C ATOM 58591 O2* G 02782 217.023 105.521 116.315 1.00737.35 O ATOM 58592 C1* G 02782 216.831 103.500 115.012 1.00737.35 C ATOM 58593 N9 G 02782 216.175 103.041 113.791 1.00737.35 N ATOM 58594 C8 G 02782 215.116 102.169 113.693 1.00737.35 C ATOM 58595 N7 G 02782 214.745 101.950 112.461 1.00737.35 N ATOM 58596 C5 G 02782 215.611 102.721 111.697 1.00737.35 C ATOM 58597 C6 G 02782 215.694 102.888 110.291 1.00737.35 C ATOM 58598 O6 G 02782 214.996 102.372 109.409 1.00737.35 O ATOM 58599 N1 G 02782 216.720 103.760 109.941 1.00737.35 N ATOM 58600 C2 G 02782 217.559 104.391 110.825 1.00737.35 C ATOM 58601 N2 G 02782 218.487 105.197 110.289 1.00737.35 N ATOM 58602 N3 G 02782 217.491 104.246 112.139 1.00737.35 N ATOM 58603 C4 G 02782 216.500 103.402 112.501 1.00737.35 C ATOM 58604 P U 02783 213.397 105.207 118.024 1.00737.35 P ATOM 58605 O1P U 02783 213.306 105.909 119.330 1.00737.35 O ATOM 58606 O2P U 02783 212.488 104.066 117.742 1.00737.35 O ATOM 58607 O5* U 02783 213.222 106.273 116.849 1.00737.35 O ATOM 58608 C5* U 02783 213.192 107.672 117.121 1.00737.35 C ATOM 58609 C4* U 02783 212.334 108.389 116.104 1.00737.35 C ATOM 58610 O4* U 02783 212.971 108.328 114.800 1.00737.35 O ATOM 58611 C3* U 02783 210.954 107.797 115.872 1.00737.35 C ATOM 58612 O3* U 02783 210.029 108.246 116.856 1.00737.35 O ATOM 58613 C2* U 02783 210.613 108.324 114.482 1.00737.35 C ATOM 58614 O2* U 02783 210.143 109.657 114.493 1.00737.35 O ATOM 58615 C1* U 02783 211.977 108.262 113.789 1.00737.35 C ATOM 58616 N1 U 02783 212.180 107.031 113.005 1.00737.35 N ATOM 58617 C2 U 02783 211.772 107.033 111.679 1.00737.35 C ATOM 58618 O2 U 02783 211.267 108.005 111.136 1.00737.35 O ATOM 58619 N3 U 02783 211.983 105.853 111.007 1.00737.35 N ATOM 58620 C4 U 02783 212.541 104.698 111.509 1.00737.35 C ATOM 58621 O4 U 02783 212.655 103.713 110.775 1.00737.35 O ATOM 58622 C5 U 02783 212.939 104.773 112.880 1.00737.35 C ATOM 58623 C6 U 02783 212.749 105.905 113.565 1.00737.35 C ATOM 58624 P A 02784 209.659 107.293 118.102 1.00737.35 P ATOM 58625 O1P A 02784 209.868 108.064 119.353 1.00737.35 O ATOM 58626 O2P A 02784 210.363 105.996 117.919 1.00737.35 O ATOM 58627 O5* A 02784 208.098 107.004 117.952 1.00737.35 O ATOM 58628 C5* A 02784 207.193 107.997 117.463 1.00737.35 C ATOM 58629 C4* A 02784 206.298 108.482 118.578 1.00737.35 C ATOM 58630 O4* A 02784 205.785 107.327 119.295 1.00737.35 O ATOM 58631 C3* A 02784 207.000 109.318 119.636 1.00737.35 C ATOM 58632 O3* A 02784 206.970 110.698 119.270 1.00737.35 O ATOM 58633 C2* A 02784 206.146 109.067 120.876 1.00737.35 C ATOM 58634 O2* A 02784 204.983 109.870 120.923 1.00737.35 O ATOM 58635 C1* A 02784 205.751 107.600 120.685 1.00737.35 C ATOM 58636 N9 A 02784 206.630 106.644 121.360 1.00737.35 N ATOM 58637 C8 A 02784 207.983 106.462 121.183 1.00737.35 C ATOM 58638 N7 A 02784 208.491 105.515 121.932 1.00737.35 N ATOM 58639 C5 A 02784 207.404 105.040 122.653 1.00737.35 C ATOM 58640 C6 A 02784 207.283 104.027 123.621 1.00737.35 C ATOM 58641 N6 A 02784 208.305 103.282 124.046 1.00737.35 N ATOM 58642 N1 A 02784 206.058 103.803 124.145 1.00737.35 N ATOM 58643 C2 A 02784 205.033 104.551 123.716 1.00737.35 C ATOM 58644 N3 A 02784 205.020 105.530 122.813 1.00737.35 N ATOM 58645 C4 A 02784 206.252 105.727 122.313 1.00737.35 C ATOM 58646 P A 02785 208.114 111.305 118.316 1.00737.35 P ATOM 58647 O1P A 02785 209.302 110.413 118.337 1.00737.35 O ATOM 58648 O2P A 02785 208.270 112.734 118.693 1.00737.35 O ATOM 58649 O5* A 02785 207.470 111.234 116.855 1.00737.35 O ATOM 58650 C5* A 02785 206.827 112.375 116.284 1.00737.35 C ATOM 58651 C4* A 02785 205.986 111.978 115.089 1.00737.35 C ATOM 58652 O4* A 02785 206.831 111.420 114.048 1.00737.35 O ATOM 58653 C3* A 02785 204.936 110.902 115.308 1.00737.35 C ATOM 58654 O3* A 02785 203.755 111.443 115.894 1.00737.35 O ATOM 58655 C2* A 02785 204.677 110.418 113.884 1.00737.35 C ATOM 58656 O2* A 02785 203.791 111.255 113.165 1.00737.35 O ATOM 58657 C1* A 02785 206.079 110.502 113.271 1.00737.35 C ATOM 58658 N9 A 02785 206.780 109.216 113.248 1.00737.35 N ATOM 58659 C8 A 02785 207.214 108.471 114.315 1.00737.35 C ATOM 58660 N7 A 02785 207.800 107.347 113.975 1.00737.35 N ATOM 58661 C5 A 02785 207.751 107.355 112.588 1.00737.35 C ATOM 58662 C6 A 02785 208.205 106.441 111.623 1.00737.35 C ATOM 58663 N6 A 02785 208.829 105.297 111.918 1.00737.35 N ATOM 58664 N1 A 02785 208.000 106.746 110.323 1.00737.35 N ATOM 58665 C2 A 02785 207.379 107.895 110.027 1.00737.35 C ATOM 58666 N3 A 02785 206.906 108.833 110.843 1.00737.35 N ATOM 58667 C4 A 02785 207.127 108.499 112.126 1.00737.35 C ATOM 58668 P G 02786 202.839 110.522 116.842 1.00737.35 P ATOM 58669 O1P G 02786 201.648 111.326 117.219 1.00737.35 O ATOM 58670 O2P G 02786 203.697 109.942 117.906 1.00737.35 O ATOM 58671 O5* G 02786 202.360 109.338 115.889 1.00737.35 O ATOM 58672 C5* G 02786 201.532 109.601 114.755 1.00737.35 C ATOM 58673 C4* G 02786 201.367 108.353 113.919 1.00737.35 C ATOM 58674 O4* G 02786 202.663 107.929 113.420 1.00737.35 O ATOM 58675 C3* G 02786 200.833 107.125 114.642 1.00737.35 C ATOM 58676 O3* G 02786 199.411 107.158 114.732 1.00737.35 O ATOM 58677 C2* G 02786 201.321 105.993 113.746 1.00737.35 C ATOM 58678 O2* G 02786 200.506 105.794 112.605 1.00737.35 O ATOM 58679 C1* G 02786 202.692 106.514 113.314 1.00737.35 C ATOM 58680 N9 G 02786 203.789 106.004 114.134 1.00737.35 N ATOM 58681 C8 G 02786 204.338 106.589 115.252 1.00737.35 C ATOM 58682 N7 G 02786 205.306 105.886 115.776 1.00737.35 N ATOM 58683 C5 G 02786 205.404 104.770 114.956 1.00737.35 C ATOM 58684 C6 G 02786 206.276 103.651 115.027 1.00737.35 C ATOM 58685 O6 G 02786 207.166 103.417 115.853 1.00737.35 O ATOM 58686 N1 G 02786 206.035 102.750 113.995 1.00737.35 N ATOM 58687 C2 G 02786 205.078 102.901 113.021 1.00737.35 C ATOM 58688 N2 G 02786 205.000 101.918 112.111 1.00737.35 N ATOM 58689 N3 G 02786 204.259 103.937 112.946 1.00737.35 N ATOM 58690 C4 G 02786 204.476 104.826 113.938 1.00737.35 C ATOM 58691 P A 02787 198.662 106.303 115.871 1.00737.35 P ATOM 58692 O1P A 02787 197.219 106.655 115.835 1.00737.35 O ATOM 58693 O2P A 02787 199.423 106.465 117.135 1.00737.35 O ATOM 58694 O5* A 02787 198.822 104.793 115.387 1.00737.35 O ATOM 58695 C5* A 02787 198.244 104.356 114.158 1.00737.35 C ATOM 58696 C4* A 02787 198.783 102.996 113.775 1.00737.35 C ATOM 58697 O4* A 02787 200.222 103.081 113.599 1.00737.35 O ATOM 58698 C3* A 02787 198.600 101.888 114.802 1.00737.35 C ATOM 58699 O3* A 02787 197.303 101.306 114.697 1.00737.35 O ATOM 58700 C2* A 02787 199.700 100.908 114.413 1.00737.35 C ATOM 58701 O2* A 02787 199.353 100.092 113.312 1.00737.35 O ATOM 58702 C1* A 02787 200.826 101.863 114.007 1.00737.35 C ATOM 58703 N9 A 02787 201.768 102.145 115.093 1.00737.35 N ATOM 58704 C8 A 02787 201.859 103.275 115.871 1.00737.35 C ATOM 58705 N7 A 02787 202.815 103.227 116.768 1.00737.35 N ATOM 58706 C5 A 02787 203.390 101.978 116.571 1.00737.35 C ATOM 58707 C6 A 02787 204.457 101.316 117.209 1.00737.35 C ATOM 58708 N6 A 02787 205.163 101.841 118.214 1.00737.35 N ATOM 58709 N1 A 02787 204.778 100.079 116.770 1.00737.35 N ATOM 58710 C2 A 02787 204.073 99.554 115.765 1.00737.35 C ATOM 58711 N3 A 02787 203.052 100.074 115.087 1.00737.35 N ATOM 58712 C4 A 02787 202.757 101.302 115.544 1.00737.35 C ATOM 58713 P C 02788 196.686 100.498 115.945 1.00737.35 P ATOM 58714 O1P C 02788 195.279 100.149 115.620 1.00737.35 O ATOM 58715 O2P C 02788 196.982 101.272 117.177 1.00737.35 O ATOM 58716 O5* C 02788 197.538 99.150 115.992 1.00737.35 O ATOM 58717 C5* C 02788 197.537 98.246 114.888 1.00737.35 C ATOM 58718 C4* C 02788 198.603 97.190 115.069 1.00737.35 C ATOM 58719 O4* C 02788 199.905 97.830 115.146 1.00737.35 O ATOM 58720 C3* C 02788 198.517 96.367 116.346 1.00737.35 C ATOM 58721 O3* C 02788 197.603 95.284 116.198 1.00737.35 O ATOM 58722 C2* C 02788 199.953 95.880 116.509 1.00737.35 C ATOM 58723 O2* C 02788 200.259 94.767 115.692 1.00737.35 O ATOM 58724 C1* C 02788 200.741 97.102 116.035 1.00737.35 C ATOM 58725 N1 C 02788 201.162 97.994 117.138 1.00737.35 N ATOM 58726 C2 C 02788 202.271 97.626 117.921 1.00737.35 C ATOM 58727 O2 C 02788 202.865 96.562 117.669 1.00737.35 O ATOM 58728 N3 C 02788 202.663 98.434 118.931 1.00737.35 N ATOM 58729 C4 C 02788 202.001 99.567 119.176 1.00737.35 C ATOM 58730 N4 C 02788 202.425 100.333 120.185 1.00737.35 N ATOM 58731 C5 C 02788 200.873 99.966 118.400 1.00737.35 C ATOM 58732 C6 C 02788 200.494 99.158 117.401 1.00737.35 C ATOM 58733 P U 02789 196.954 94.605 117.503 1.00737.35 P ATOM 58734 O1P U 02789 196.024 93.536 117.054 1.00737.35 O ATOM 58735 O2P U 02789 196.452 95.696 118.376 1.00737.35 O ATOM 58736 O5* U 02789 198.194 93.919 118.235 1.00737.35 O ATOM 58737 C5* U 02789 198.869 92.807 117.649 1.00737.35 C ATOM 58738 C4* U 02789 199.806 92.172 118.648 1.00737.35 C ATOM 58739 O4* U 02789 200.883 93.093 118.966 1.00737.35 O ATOM 58740 C3* U 02789 199.194 91.831 119.997 1.00737.35 C ATOM 58741 O3* U 02789 198.523 90.576 119.951 1.00737.35 O ATOM 58742 C2* U 02789 200.417 91.792 120.907 1.00737.35 C ATOM 58743 O2* U 02789 201.123 90.569 120.835 1.00737.35 O ATOM 58744 C1* U 02789 201.273 92.921 120.321 1.00737.35 C ATOM 58745 N1 U 02789 201.130 94.205 121.026 1.00737.35 N ATOM 58746 C2 U 02789 201.886 94.405 122.175 1.00737.35 C ATOM 58747 O2 U 02789 202.658 93.569 122.620 1.00737.35 O ATOM 58748 N3 U 02789 201.707 95.625 122.781 1.00737.35 N ATOM 58749 C4 U 02789 200.871 96.641 122.373 1.00737.35 C ATOM 58750 O4 U 02789 200.821 97.684 123.028 1.00737.35 O ATOM 58751 C5 U 02789 200.125 96.363 121.186 1.00737.35 C ATOM 58752 C6 U 02789 200.273 95.187 120.570 1.00737.35 C ATOM 58753 P C 02790 197.054 90.437 120.584 1.00737.35 P ATOM 58754 O1P C 02790 196.669 89.002 120.553 1.00737.35 O ATOM 58755 O2P C 02790 196.183 91.443 119.922 1.00737.35 O ATOM 58756 O5* C 02790 197.247 90.875 122.104 1.00737.35 O ATOM 58757 C5* C 02790 198.026 90.090 123.000 1.00737.35 C ATOM 58758 C4* C 02790 198.136 90.773 124.344 1.00737.35 C ATOM 58759 O4* C 02790 198.882 92.010 124.202 1.00737.35 O ATOM 58760 C3* C 02790 196.819 91.204 124.973 1.00737.35 C ATOM 58761 O3* C 02790 196.205 90.119 125.660 1.00737.35 O ATOM 58762 C2* C 02790 197.266 92.308 125.925 1.00737.35 C ATOM 58763 O2* C 02790 197.778 91.816 127.149 1.00737.35 O ATOM 58764 C1* C 02790 198.390 92.972 125.123 1.00737.35 C ATOM 58765 N1 C 02790 197.964 94.174 124.377 1.00737.35 N ATOM 58766 C2 C 02790 198.023 95.423 125.018 1.00737.35 C ATOM 58767 O2 C 02790 198.422 95.486 126.195 1.00737.35 O ATOM 58768 N3 C 02790 197.641 96.532 124.342 1.00737.35 N ATOM 58769 C4 C 02790 197.214 96.431 123.081 1.00737.35 C ATOM 58770 N4 C 02790 196.851 97.554 122.455 1.00737.35 N ATOM 58771 C5 C 02790 197.140 95.177 122.407 1.00737.35 C ATOM 58772 C6 C 02790 197.521 94.086 123.085 1.00737.35 C ATOM 58773 P C 02791 194.604 90.085 125.823 1.00737.35 P ATOM 58774 O1P C 02791 194.232 88.791 126.451 1.00737.35 O ATOM 58775 O2P C 02791 194.005 90.465 124.518 1.00737.35 O ATOM 58776 O5* C 02791 194.301 91.253 126.864 1.00737.35 O ATOM 58777 C5* C 02791 194.736 91.157 128.218 1.00737.35 C ATOM 58778 C4* C 02791 194.372 92.409 128.982 1.00737.35 C ATOM 58779 O4* C 02791 195.095 93.541 128.430 1.00737.35 O ATOM 58780 C3* C 02791 192.910 92.828 128.910 1.00737.35 C ATOM 58781 O3* C 02791 192.123 92.119 129.860 1.00737.35 O ATOM 58782 C2* C 02791 192.990 94.316 129.227 1.00737.35 C ATOM 58783 O2* C 02791 193.092 94.585 130.612 1.00737.35 O ATOM 58784 C1* C 02791 194.293 94.710 128.527 1.00737.35 C ATOM 58785 N1 C 02791 194.095 95.272 127.172 1.00737.35 N ATOM 58786 C2 C 02791 193.598 96.580 127.050 1.00737.35 C ATOM 58787 O2 C 02791 193.330 97.226 128.077 1.00737.35 O ATOM 58788 N3 C 02791 193.418 97.107 125.817 1.00737.35 N ATOM 58789 C4 C 02791 193.710 96.384 124.734 1.00737.35 C ATOM 58790 N4 C 02791 193.517 96.948 123.537 1.00737.35 N ATOM 58791 C5 C 02791 194.214 95.053 124.826 1.00737.35 C ATOM 58792 C6 C 02791 194.387 94.541 126.052 1.00737.35 C ATOM 58793 P C 02792 190.534 91.987 129.638 1.00737.35 P ATOM 58794 O1P C 02792 189.993 91.104 130.701 1.00737.35 O ATOM 58795 O2P C 02792 190.302 91.642 128.211 1.00737.35 O ATOM 58796 O5* C 02792 189.990 93.465 129.884 1.00737.35 O ATOM 58797 C5* C 02792 190.031 94.053 131.182 1.00737.35 C ATOM 58798 C4* C 02792 189.348 95.402 131.173 1.00737.35 C ATOM 58799 O4* C 02792 190.100 96.327 130.348 1.00737.35 O ATOM 58800 C3* C 02792 187.946 95.438 130.587 1.00737.35 C ATOM 58801 O3* C 02792 186.979 95.039 131.554 1.00737.35 O ATOM 58802 C2* C 02792 187.791 96.906 130.203 1.00737.35 C ATOM 58803 O2* C 02792 187.408 97.722 131.291 1.00737.35 O ATOM 58804 C1* C 02792 189.213 97.264 129.756 1.00737.35 C ATOM 58805 N1 C 02792 189.404 97.253 128.291 1.00737.35 N ATOM 58806 C2 C 02792 189.062 98.402 127.554 1.00737.35 C ATOM 58807 O2 C 02792 188.604 99.394 128.149 1.00737.35 O ATOM 58808 N3 C 02792 189.241 98.404 126.213 1.00737.35 N ATOM 58809 C4 C 02792 189.732 97.325 125.601 1.00737.35 C ATOM 58810 N4 C 02792 189.893 97.377 124.277 1.00737.35 N ATOM 58811 C5 C 02792 190.083 96.143 126.322 1.00737.35 C ATOM 58812 C6 C 02792 189.904 96.150 127.650 1.00737.35 C ATOM 58813 P G 02793 185.500 94.623 131.081 1.00737.35 P ATOM 58814 O1P G 02793 184.708 94.274 132.286 1.00737.35 O ATOM 58815 O2P G 02793 185.642 93.632 129.982 1.00737.35 O ATOM 58816 O5* G 02793 184.908 95.971 130.470 1.00737.35 O ATOM 58817 C5* G 02793 183.811 95.949 129.563 1.00737.35 C ATOM 58818 C4* G 02793 183.563 97.335 129.012 1.00737.35 C ATOM 58819 O4* G 02793 184.788 97.850 128.427 1.00737.35 O ATOM 58820 C3* G 02793 182.540 97.410 127.891 1.00737.35 C ATOM 58821 O3* G 02793 181.222 97.507 128.424 1.00737.35 O ATOM 58822 C2* G 02793 182.954 98.676 127.149 1.00737.35 C ATOM 58823 O2* G 02793 182.462 99.858 127.751 1.00737.35 O ATOM 58824 C1* G 02793 184.479 98.627 127.281 1.00737.35 C ATOM 58825 N9 G 02793 185.165 98.047 126.127 1.00737.35 N ATOM 58826 C8 G 02793 185.811 96.834 126.067 1.00737.35 C ATOM 58827 N7 G 02793 186.345 96.594 124.900 1.00737.35 N ATOM 58828 C5 G 02793 186.032 97.713 124.142 1.00737.35 C ATOM 58829 C6 G 02793 186.346 98.024 122.792 1.00737.35 C ATOM 58830 O6 G 02793 186.988 97.354 121.973 1.00737.35 O ATOM 58831 N1 G 02793 185.830 99.262 122.422 1.00737.35 N ATOM 58832 C2 G 02793 185.107 100.094 123.238 1.00737.35 C ATOM 58833 N2 G 02793 184.690 101.246 122.690 1.00737.35 N ATOM 58834 N3 G 02793 184.810 99.818 124.499 1.00737.35 N ATOM 58835 C4 G 02793 185.301 98.620 124.880 1.00737.35 C ATOM 58836 P G 02794 179.977 96.937 127.581 1.00737.35 P ATOM 58837 O1P G 02794 178.757 97.154 128.401 1.00737.35 O ATOM 58838 O2P G 02794 180.313 95.568 127.112 1.00737.35 O ATOM 58839 O5* G 02794 179.896 97.904 126.318 1.00737.35 O ATOM 58840 C5* G 02794 179.267 97.485 125.113 1.00737.35 C ATOM 58841 C4* G 02794 179.432 98.538 124.044 1.00737.35 C ATOM 58842 O4* G 02794 180.838 98.874 123.911 1.00737.35 O ATOM 58843 C3* G 02794 179.008 98.104 122.649 1.00737.35 C ATOM 58844 O3* G 02794 177.611 98.303 122.458 1.00737.35 O ATOM 58845 C2* G 02794 179.837 99.020 121.758 1.00737.35 C ATOM 58846 O2* G 02794 179.279 100.312 121.617 1.00737.35 O ATOM 58847 C1* G 02794 181.147 99.107 122.546 1.00737.35 C ATOM 58848 N9 G 02794 182.155 98.134 122.128 1.00737.35 N ATOM 58849 C8 G 02794 182.638 97.073 122.858 1.00737.35 C ATOM 58850 N7 G 02794 183.543 96.381 122.223 1.00737.35 N ATOM 58851 C5 G 02794 183.665 97.019 120.996 1.00737.35 C ATOM 58852 C6 G 02794 184.495 96.719 119.886 1.00737.35 C ATOM 58853 O6 G 02794 185.317 95.802 119.762 1.00737.35 O ATOM 58854 N1 G 02794 184.301 97.620 118.845 1.00737.35 N ATOM 58855 C2 G 02794 183.424 98.676 118.867 1.00737.35 C ATOM 58856 N2 G 02794 183.381 99.430 117.758 1.00737.35 N ATOM 58857 N3 G 02794 182.643 98.968 119.896 1.00737.35 N ATOM 58858 C4 G 02794 182.817 98.103 120.919 1.00737.35 C ATOM 58859 P A 02795 176.721 97.142 121.792 1.00737.35 P ATOM 58860 O1P A 02795 175.926 96.518 122.879 1.00737.35 O ATOM 58861 O2P A 02795 177.588 96.290 120.938 1.00737.35 O ATOM 58862 O5* A 02795 175.715 97.931 120.840 1.00737.35 O ATOM 58863 C5* A 02795 176.209 98.794 119.819 1.00737.35 C ATOM 58864 C4* A 02795 175.098 99.674 119.297 1.00737.35 C ATOM 58865 O4* A 02795 174.494 100.397 120.402 1.00737.35 O ATOM 58866 C3* A 02795 175.543 100.758 118.329 1.00737.35 C ATOM 58867 O3* A 02795 175.621 100.249 116.998 1.00737.35 O ATOM 58868 C2* A 02795 174.448 101.803 118.488 1.00737.35 C ATOM 58869 O2* A 02795 173.277 101.502 117.755 1.00737.35 O ATOM 58870 C1* A 02795 174.161 101.713 119.989 1.00737.35 C ATOM 58871 N9 A 02795 174.892 102.654 120.844 1.00737.35 N ATOM 58872 C8 A 02795 174.766 102.766 122.208 1.00737.35 C ATOM 58873 N7 A 02795 175.533 103.690 122.738 1.00737.35 N ATOM 58874 C5 A 02795 176.211 104.224 121.652 1.00737.35 C ATOM 58875 C6 A 02795 177.174 105.243 121.549 1.00737.35 C ATOM 58876 N6 A 02795 177.637 105.932 122.594 1.00737.35 N ATOM 58877 N1 A 02795 177.652 105.533 120.320 1.00737.35 N ATOM 58878 C2 A 02795 177.186 104.843 119.274 1.00737.35 C ATOM 58879 N3 A 02795 176.285 103.865 119.241 1.00737.35 N ATOM 58880 C4 A 02795 175.827 103.599 120.478 1.00737.35 C ATOM 58881 P A 02796 176.576 100.967 115.920 1.00737.35 P ATOM 58882 O1P A 02796 177.439 101.947 116.629 1.00737.35 O ATOM 58883 O2P A 02796 175.723 101.426 114.795 1.00737.35 O ATOM 58884 O5* A 02796 177.512 99.792 115.391 1.00737.35 O ATOM 58885 C5* A 02796 178.310 99.967 114.220 1.00737.35 C ATOM 58886 C4* A 02796 179.342 98.867 114.107 1.00737.35 C ATOM 58887 O4* A 02796 180.260 98.942 115.231 1.00737.35 O ATOM 58888 C3* A 02796 178.822 97.440 114.157 1.00737.35 C ATOM 58889 O3* A 02796 178.338 97.018 112.884 1.00737.35 O ATOM 58890 C2* A 02796 180.068 96.666 114.569 1.00737.35 C ATOM 58891 O2* A 02796 180.949 96.414 113.492 1.00737.35 O ATOM 58892 C1* A 02796 180.724 97.640 115.551 1.00737.35 C ATOM 58893 N9 A 02796 180.397 97.353 116.951 1.00737.35 N ATOM 58894 C8 A 02796 179.478 97.974 117.760 1.00737.35 C ATOM 58895 N7 A 02796 179.415 97.474 118.971 1.00737.35 N ATOM 58896 C5 A 02796 180.359 96.455 118.960 1.00737.35 C ATOM 58897 C6 A 02796 180.774 95.537 119.943 1.00737.35 C ATOM 58898 N6 A 02796 180.275 95.499 121.180 1.00737.35 N ATOM 58899 N1 A 02796 181.737 94.652 119.608 1.00737.35 N ATOM 58900 C2 A 02796 182.240 94.690 118.368 1.00737.35 C ATOM 58901 N3 A 02796 181.931 95.499 117.359 1.00737.35 N ATOM 58902 C4 A 02796 180.972 96.370 117.723 1.00737.35 C ATOM 58903 P G 02797 177.260 95.826 112.796 1.00737.35 P ATOM 58904 O1P G 02797 176.878 95.684 111.366 1.00737.35 O ATOM 58905 O2P G 02797 176.206 96.065 113.816 1.00737.35 O ATOM 58906 O5* G 02797 178.081 94.526 113.222 1.00737.35 O ATOM 58907 C5* G 02797 179.203 94.088 112.459 1.00737.35 C ATOM 58908 C4* G 02797 180.024 93.096 113.250 1.00737.35 C ATOM 58909 O4* G 02797 180.471 93.718 114.485 1.00737.35 O ATOM 58910 C3* G 02797 179.304 91.838 113.709 1.00737.35 C ATOM 58911 O3* G 02797 179.287 90.848 112.681 1.00737.35 O ATOM 58912 C2* G 02797 180.148 91.403 114.901 1.00737.35 C ATOM 58913 O2* G 02797 181.334 90.735 114.519 1.00737.35 O ATOM 58914 C1* G 02797 180.493 92.754 115.528 1.00737.35 C ATOM 58915 N9 G 02797 179.541 93.160 116.560 1.00737.35 N ATOM 58916 C8 G 02797 178.504 94.056 116.433 1.00737.35 C ATOM 58917 N7 G 02797 177.819 94.208 117.534 1.00737.35 N ATOM 58918 C5 G 02797 178.441 93.363 118.446 1.00737.35 C ATOM 58919 C6 G 02797 178.141 93.103 119.807 1.00737.35 C ATOM 58920 O6 G 02797 177.236 93.579 120.504 1.00737.35 O ATOM 58921 N1 G 02797 179.026 92.181 120.357 1.00737.35 N ATOM 58922 C2 G 02797 180.065 91.585 119.688 1.00737.35 C ATOM 58923 N2 G 02797 180.806 90.720 120.394 1.00737.35 N ATOM 58924 N3 G 02797 180.354 91.819 118.417 1.00737.35 N ATOM 58925 C4 G 02797 179.507 92.713 117.862 1.00737.35 C ATOM 58926 P A 02798 178.475 89.477 112.904 1.00737.35 P ATOM 58927 O1P A 02798 178.465 88.760 111.602 1.00737.35 O ATOM 58928 O2P A 02798 177.188 89.791 113.579 1.00737.35 O ATOM 58929 O5* A 02798 179.399 88.651 113.907 1.00737.35 O ATOM 58930 C5* A 02798 178.842 87.894 114.980 1.00737.35 C ATOM 58931 C4* A 02798 179.611 86.606 115.170 1.00737.35 C ATOM 58932 O4* A 02798 179.454 85.785 113.984 1.00737.35 O ATOM 58933 C3* A 02798 181.117 86.757 115.335 1.00737.35 C ATOM 58934 O3* A 02798 181.460 86.990 116.699 1.00737.35 O ATOM 58935 C2* A 02798 181.635 85.408 114.848 1.00737.35 C ATOM 58936 O2* A 02798 181.548 84.395 115.828 1.00737.35 O ATOM 58937 C1* A 02798 180.666 85.105 113.703 1.00737.35 C ATOM 58938 N9 A 02798 181.146 85.544 112.391 1.00737.35 N ATOM 58939 C8 A 02798 180.814 86.690 111.708 1.00737.35 C ATOM 58940 N7 A 02798 181.407 86.804 110.544 1.00737.35 N ATOM 58941 C5 A 02798 182.185 85.658 110.454 1.00737.35 C ATOM 58942 C6 A 02798 183.057 85.185 109.458 1.00737.35 C ATOM 58943 N6 A 02798 183.302 85.834 108.319 1.00737.35 N ATOM 58944 N1 A 02798 183.679 84.006 109.679 1.00737.35 N ATOM 58945 C2 A 02798 183.435 83.357 110.821 1.00737.35 C ATOM 58946 N3 A 02798 182.639 83.697 111.832 1.00737.35 N ATOM 58947 C4 A 02798 182.035 84.873 111.584 1.00737.35 C ATOM 58948 P C 02799 182.701 87.947 117.060 1.00737.35 P ATOM 58949 O1P C 02799 182.915 87.855 118.527 1.00737.35 O ATOM 58950 O2P C 02799 182.462 89.275 116.439 1.00737.35 O ATOM 58951 O5* C 02799 183.943 87.272 116.325 1.00737.35 O ATOM 58952 C5* C 02799 184.598 86.135 116.881 1.00737.35 C ATOM 58953 C4* C 02799 185.792 85.750 116.036 1.00737.35 C ATOM 58954 O4* C 02799 185.336 85.321 114.727 1.00737.35 O ATOM 58955 C3* C 02799 186.785 86.864 115.745 1.00737.35 C ATOM 58956 O3* C 02799 187.722 87.012 116.807 1.00737.35 O ATOM 58957 C2* C 02799 187.452 86.375 114.466 1.00737.35 C ATOM 58958 O2* C 02799 188.470 85.421 114.698 1.00737.35 O ATOM 58959 C1* C 02799 186.278 85.713 113.740 1.00737.35 C ATOM 58960 N1 C 02799 185.607 86.597 112.766 1.00737.35 N ATOM 58961 C2 C 02799 186.116 86.682 111.459 1.00737.35 C ATOM 58962 O2 C 02799 187.118 86.010 111.154 1.00737.35 O ATOM 58963 N3 C 02799 185.508 87.492 110.564 1.00737.35 N ATOM 58964 C4 C 02799 184.433 88.199 110.925 1.00737.35 C ATOM 58965 N4 C 02799 183.863 88.984 110.008 1.00737.35 N ATOM 58966 C5 C 02799 183.894 88.133 112.242 1.00737.35 C ATOM 58967 C6 C 02799 184.505 87.328 113.122 1.00737.35 C ATOM 58968 P C 02800 188.216 88.477 117.243 1.00737.35 P ATOM 58969 O1P C 02800 189.265 88.302 118.280 1.00737.35 O ATOM 58970 O2P C 02800 187.018 89.304 117.546 1.00737.35 O ATOM 58971 O5* C 02800 188.903 89.063 115.930 1.00737.35 O ATOM 58972 C5* C 02800 190.069 88.453 115.377 1.00737.35 C ATOM 58973 C4* C 02800 190.306 88.952 113.970 1.00737.35 C ATOM 58974 O4* C 02800 189.163 88.598 113.143 1.00737.35 O ATOM 58975 C3* C 02800 190.430 90.462 113.811 1.00737.35 C ATOM 58976 O3* C 02800 191.763 90.896 114.062 1.00737.35 O ATOM 58977 C2* C 02800 190.035 90.667 112.355 1.00737.35 C ATOM 58978 O2* C 02800 191.082 90.391 111.448 1.00737.35 O ATOM 58979 C1* C 02800 188.922 89.628 112.194 1.00737.35 C ATOM 58980 N1 C 02800 187.569 90.178 112.423 1.00737.35 N ATOM 58981 C2 C 02800 186.879 90.751 111.343 1.00737.35 C ATOM 58982 O2 C 02800 187.416 90.776 110.222 1.00737.35 O ATOM 58983 N3 C 02800 185.642 91.264 111.547 1.00737.35 N ATOM 58984 C4 C 02800 185.093 91.221 112.762 1.00737.35 C ATOM 58985 N4 C 02800 183.872 91.739 112.915 1.00737.35 N ATOM 58986 C5 C 02800 185.769 90.642 113.876 1.00737.35 C ATOM 58987 C6 C 02800 186.992 90.139 113.663 1.00737.35 C ATOM 58988 P A 02801 192.023 92.329 114.742 1.00737.35 P ATOM 58989 O1P A 02801 193.489 92.564 114.737 1.00737.35 O ATOM 58990 O2P A 02801 191.277 92.380 116.026 1.00737.35 O ATOM 58991 O5* A 02801 191.350 93.368 113.736 1.00737.35 O ATOM 58992 C5* A 02801 191.825 93.510 112.398 1.00737.35 C ATOM 58993 C4* A 02801 190.848 94.320 111.576 1.00737.35 C ATOM 58994 O4* A 02801 189.570 93.631 111.539 1.00737.35 O ATOM 58995 C3* A 02801 190.517 95.702 112.118 1.00737.35 C ATOM 58996 O3* A 02801 191.482 96.661 111.694 1.00737.35 O ATOM 58997 C2* A 02801 189.147 95.969 111.506 1.00737.35 C ATOM 58998 O2* A 02801 189.215 96.414 110.166 1.00737.35 O ATOM 58999 C1* A 02801 188.513 94.578 111.560 1.00737.35 C ATOM 59000 N9 A 02801 187.714 94.351 112.767 1.00737.35 N ATOM 59001 C8 A 02801 188.131 93.863 113.982 1.00737.35 C ATOM 59002 N7 A 02801 187.174 93.777 114.875 1.00737.35 N ATOM 59003 C5 A 02801 186.050 94.238 114.203 1.00737.35 C ATOM 59004 C6 A 02801 184.711 94.394 114.599 1.00737.35 C ATOM 59005 N6 A 02801 184.259 94.091 115.819 1.00737.35 N ATOM 59006 N1 A 02801 183.838 94.877 113.689 1.00737.35 N ATOM 59007 C2 A 02801 184.292 95.180 112.467 1.00737.35 C ATOM 59008 N3 A 02801 185.525 95.077 111.975 1.00737.35 N ATOM 59009 C4 A 02801 186.367 94.592 112.905 1.00737.35 C ATOM 59010 P C 02802 191.814 97.925 112.632 1.00737.35 P ATOM 59011 O1P C 02802 192.771 98.785 111.889 1.00737.35 O ATOM 59012 O2P C 02802 192.176 97.425 113.984 1.00737.35 O ATOM 59013 O5* C 02802 190.427 98.700 112.742 1.00737.35 O ATOM 59014 C5* C 02802 189.841 99.328 111.601 1.00737.35 C ATOM 59015 C4* C 02802 188.479 99.884 111.949 1.00737.35 C ATOM 59016 O4* C 02802 187.589 98.792 112.300 1.00737.35 O ATOM 59017 C3* C 02802 188.436 100.810 113.155 1.00737.35 C ATOM 59018 O3* C 02802 188.772 102.146 112.789 1.00737.35 O ATOM 59019 C2* C 02802 186.988 100.685 113.608 1.00737.35 C ATOM 59020 O2* C 02802 186.096 101.479 112.850 1.00737.35 O ATOM 59021 C1* C 02802 186.715 99.203 113.344 1.00737.35 C ATOM 59022 N1 C 02802 186.946 98.341 114.522 1.00737.35 N ATOM 59023 C2 C 02802 185.924 98.204 115.478 1.00737.35 C ATOM 59024 O2 C 02802 184.852 98.812 115.313 1.00737.35 O ATOM 59025 N3 C 02802 186.131 97.415 116.555 1.00737.35 N ATOM 59026 C4 C 02802 187.297 96.777 116.705 1.00737.35 C ATOM 59027 N4 C 02802 187.457 96.009 117.785 1.00737.35 N ATOM 59028 C5 C 02802 188.351 96.900 115.752 1.00737.35 C ATOM 59029 C6 C 02802 188.134 97.681 114.687 1.00737.35 C ATOM 59030 P C 02803 189.402 103.139 113.885 1.00737.35 P ATOM 59031 O1P C 02803 189.726 104.422 113.212 1.00737.35 O ATOM 59032 O2P C 02803 190.470 102.399 114.604 1.00737.35 O ATOM 59033 O5* C 02803 188.203 103.391 114.906 1.00737.35 O ATOM 59034 C5* C 02803 187.070 104.171 114.527 1.00737.35 C ATOM 59035 C4* C 02803 186.115 104.314 115.690 1.00737.35 C ATOM 59036 O4* C 02803 185.548 103.020 116.019 1.00737.35 O ATOM 59037 C3* C 02803 186.728 104.794 116.996 1.00737.35 C ATOM 59038 O3* C 02803 186.846 106.212 117.023 1.00737.35 O ATOM 59039 C2* C 02803 185.730 104.281 118.028 1.00737.35 C ATOM 59040 O2* C 02803 184.593 105.111 118.158 1.00737.35 O ATOM 59041 C1* C 02803 185.326 102.936 117.419 1.00737.35 C ATOM 59042 N1 C 02803 186.086 101.787 117.958 1.00737.35 N ATOM 59043 C2 C 02803 185.702 101.240 119.194 1.00737.35 C ATOM 59044 O2 C 02803 184.738 101.736 119.806 1.00737.35 O ATOM 59045 N3 C 02803 186.390 100.187 119.689 1.00737.35 N ATOM 59046 C4 C 02803 187.421 99.680 119.009 1.00737.35 C ATOM 59047 N4 C 02803 188.067 98.640 119.542 1.00737.35 N ATOM 59048 C5 C 02803 187.834 100.219 117.756 1.00737.35 C ATOM 59049 C6 C 02803 187.148 101.263 117.272 1.00737.35 C ATOM 59050 P G 02804 187.942 106.905 117.973 1.00737.35 P ATOM 59051 O1P G 02804 187.885 108.372 117.756 1.00737.35 O ATOM 59052 O2P G 02804 189.227 106.183 117.781 1.00737.35 O ATOM 59053 O5* G 02804 187.419 106.590 119.447 1.00737.35 O ATOM 59054 C5* G 02804 186.254 107.232 119.960 1.00737.35 C ATOM 59055 C4* G 02804 186.053 106.878 121.416 1.00737.35 C ATOM 59056 O4* G 02804 185.712 105.472 121.540 1.00737.35 O ATOM 59057 C3* G 02804 187.267 107.042 122.315 1.00737.35 C ATOM 59058 O3* G 02804 187.425 108.395 122.733 1.00737.35 O ATOM 59059 C2* G 02804 186.934 106.117 123.481 1.00737.35 C ATOM 59060 O2* G 02804 186.065 106.707 124.427 1.00737.35 O ATOM 59061 C1* G 02804 186.217 104.967 122.765 1.00737.35 C ATOM 59062 N9 G 02804 187.078 103.819 122.484 1.00737.35 N ATOM 59063 C8 G 02804 187.692 103.508 121.294 1.00737.35 C ATOM 59064 N7 G 02804 188.395 102.411 121.350 1.00737.35 N ATOM 59065 C5 G 02804 188.238 101.968 122.657 1.00737.35 C ATOM 59066 C6 G 02804 188.769 100.821 123.308 1.00737.35 C ATOM 59067 O6 G 02804 189.502 99.939 122.848 1.00737.35 O ATOM 59068 N1 G 02804 188.361 100.758 124.637 1.00737.35 N ATOM 59069 C2 G 02804 187.548 101.671 125.260 1.00737.35 C ATOM 59070 N2 G 02804 187.270 101.432 126.551 1.00737.35 N ATOM 59071 N3 G 02804 187.047 102.741 124.663 1.00737.35 N ATOM 59072 C4 G 02804 187.431 102.827 123.372 1.00737.35 C ATOM 59073 P G 02805 188.882 108.933 123.145 1.00737.35 P ATOM 59074 O1P G 02805 188.739 110.320 123.652 1.00737.35 O ATOM 59075 O2P G 02805 189.800 108.657 122.010 1.00737.35 O ATOM 59076 O5* G 02805 189.294 107.996 124.368 1.00737.35 O ATOM 59077 C5* G 02805 190.657 107.811 124.735 1.00737.35 C ATOM 59078 C4* G 02805 190.748 106.924 125.952 1.00737.35 C ATOM 59079 O4* G 02805 190.072 105.669 125.681 1.00737.35 O ATOM 59080 C3* G 02805 192.149 106.508 126.369 1.00737.35 C ATOM 59081 O3* G 02805 192.770 107.510 127.168 1.00737.35 O ATOM 59082 C2* G 02805 191.877 105.237 127.166 1.00737.35 C ATOM 59083 O2* G 02805 191.443 105.494 128.486 1.00737.35 O ATOM 59084 C1* G 02805 190.734 104.614 126.361 1.00737.35 C ATOM 59085 N9 G 02805 191.187 103.631 125.378 1.00737.35 N ATOM 59086 C8 G 02805 191.343 103.813 124.024 1.00737.35 C ATOM 59087 N7 G 02805 191.770 102.744 123.410 1.00737.35 N ATOM 59088 C5 G 02805 191.905 101.796 124.417 1.00737.35 C ATOM 59089 C6 G 02805 192.334 100.444 124.359 1.00737.35 C ATOM 59090 O6 G 02805 192.691 99.787 123.372 1.00737.35 O ATOM 59091 N1 G 02805 192.320 99.850 125.617 1.00737.35 N ATOM 59092 C2 G 02805 191.945 100.474 126.782 1.00737.35 C ATOM 59093 N2 G 02805 192.002 99.731 127.895 1.00737.35 N ATOM 59094 N3 G 02805 191.544 101.732 126.849 1.00737.35 N ATOM 59095 C4 G 02805 191.548 102.330 125.639 1.00737.35 C ATOM 59096 P G 02806 194.376 107.591 127.240 1.00737.35 P ATOM 59097 O1P G 02806 194.741 108.721 128.135 1.00737.35 O ATOM 59098 O2P G 02806 194.894 107.561 125.848 1.00737.35 O ATOM 59099 O5* G 02806 194.799 106.230 127.954 1.00737.35 O ATOM 59100 C5* G 02806 194.350 105.923 129.273 1.00737.35 C ATOM 59101 C4* G 02806 195.062 104.698 129.803 1.00737.35 C ATOM 59102 O4* G 02806 194.727 103.548 128.986 1.00737.35 O ATOM 59103 C3* G 02806 196.581 104.752 129.769 1.00737.35 C ATOM 59104 O3* G 02806 197.066 105.429 130.923 1.00737.35 O ATOM 59105 C2* G 02806 196.959 103.274 129.785 1.00737.35 C ATOM 59106 O2* G 02806 196.964 102.718 131.085 1.00737.35 O ATOM 59107 C1* G 02806 195.823 102.650 128.970 1.00737.35 C ATOM 59108 N9 G 02806 196.164 102.348 127.579 1.00737.35 N ATOM 59109 C8 G 02806 196.087 103.191 126.495 1.00737.35 C ATOM 59110 N7 G 02806 196.448 102.621 125.376 1.00737.35 N ATOM 59111 C5 G 02806 196.784 101.325 125.744 1.00737.35 C ATOM 59112 C6 G 02806 197.246 100.234 124.957 1.00737.35 C ATOM 59113 O6 G 02806 197.449 100.193 123.736 1.00737.35 O ATOM 59114 N1 G 02806 197.471 99.102 125.734 1.00737.35 N ATOM 59115 C2 G 02806 197.276 99.024 127.092 1.00737.35 C ATOM 59116 N2 G 02806 197.551 97.844 127.664 1.00737.35 N ATOM 59117 N3 G 02806 196.845 100.031 127.834 1.00737.35 N ATOM 59118 C4 G 02806 196.620 101.141 127.102 1.00737.35 C ATOM 59119 P U 02807 197.811 106.845 130.764 1.00737.35 P ATOM 59120 O1P U 02807 197.108 107.637 129.720 1.00737.35 O ATOM 59121 O2P U 02807 199.263 106.566 130.615 1.00737.35 O ATOM 59122 O5* U 02807 197.560 107.559 132.167 1.00737.35 O ATOM 59123 C5* U 02807 198.597 107.665 133.139 1.00737.35 C ATOM 59124 C4* U 02807 198.004 107.773 134.525 1.00737.35 C ATOM 59125 O4* U 02807 197.243 106.572 134.816 1.00737.35 O ATOM 59126 C3* U 02807 199.019 107.859 135.655 1.00737.35 C ATOM 59127 O3* U 02807 199.408 109.216 135.853 1.00737.35 O ATOM 59128 C2* U 02807 198.226 107.335 136.849 1.00737.35 C ATOM 59129 O2* U 02807 197.401 108.318 137.443 1.00737.35 O ATOM 59130 C1* U 02807 197.358 106.257 136.195 1.00737.35 C ATOM 59131 N1 U 02807 197.896 104.892 136.327 1.00737.35 N ATOM 59132 C2 U 02807 197.536 104.161 137.449 1.00737.35 C ATOM 59133 O2 U 02807 196.797 104.593 138.322 1.00737.35 O ATOM 59134 N3 U 02807 198.072 102.898 137.513 1.00737.35 N ATOM 59135 C4 U 02807 198.912 102.303 136.595 1.00737.35 C ATOM 59136 O4 U 02807 199.310 101.155 136.799 1.00737.35 O ATOM 59137 C5 U 02807 199.239 103.119 135.467 1.00737.35 C ATOM 59138 C6 U 02807 198.734 104.354 135.374 1.00737.35 C ATOM 59139 P U 02808 200.865 109.709 135.384 1.00737.35 P ATOM 59140 O1P U 02808 201.218 108.994 134.131 1.00737.35 O ATOM 59141 O2P U 02808 201.776 109.638 136.553 1.00737.35 O ATOM 59142 O5* U 02808 200.640 111.246 135.022 1.00737.35 O ATOM 59143 C5* U 02808 199.434 111.682 134.393 1.00737.35 C ATOM 59144 C4* U 02808 199.581 113.101 133.901 1.00737.35 C ATOM 59145 O4* U 02808 200.675 113.167 132.947 1.00737.35 O ATOM 59146 C3* U 02808 198.384 113.645 133.140 1.00737.35 C ATOM 59147 O3* U 02808 197.404 114.173 134.032 1.00737.35 O ATOM 59148 C2* U 02808 199.016 114.731 132.276 1.00737.35 C ATOM 59149 O2* U 02808 199.241 115.938 132.976 1.00737.35 O ATOM 59150 C1* U 02808 200.352 114.083 131.911 1.00737.35 C ATOM 59151 N1 U 02808 200.322 113.355 130.631 1.00737.35 N ATOM 59152 C2 U 02808 200.599 114.068 129.472 1.00737.35 C ATOM 59153 O2 U 02808 200.870 115.258 129.467 1.00737.35 O ATOM 59154 N3 U 02808 200.547 113.331 128.314 1.00737.35 N ATOM 59155 C4 U 02808 200.256 111.985 128.194 1.00737.35 C ATOM 59156 O4 U 02808 200.246 111.468 127.076 1.00737.35 O ATOM 59157 C5 U 02808 199.983 111.323 129.429 1.00737.35 C ATOM 59158 C6 U 02808 200.024 112.010 130.576 1.00737.35 C ATOM 59159 P A 02809 195.861 114.256 133.573 1.00737.35 P ATOM 59160 O1P A 02809 195.808 115.069 132.331 1.00737.35 O ATOM 59161 O2P A 02809 195.060 114.668 134.753 1.00737.35 O ATOM 59162 O5* A 02809 195.469 112.750 133.217 1.00737.35 O ATOM 59163 C5* A 02809 195.745 112.201 131.927 1.00737.35 C ATOM 59164 C4* A 02809 195.191 110.798 131.827 1.00737.35 C ATOM 59165 O4* A 02809 195.841 109.955 132.816 1.00737.35 O ATOM 59166 C3* A 02809 193.705 110.643 132.110 1.00737.35 C ATOM 59167 O3* A 02809 192.941 110.899 130.934 1.00737.35 O ATOM 59168 C2* A 02809 193.607 109.184 132.536 1.00737.35 C ATOM 59169 O2* A 02809 193.566 108.287 131.443 1.00737.35 O ATOM 59170 C1* A 02809 194.918 108.998 133.305 1.00737.35 C ATOM 59171 N9 A 02809 194.786 109.174 134.752 1.00737.35 N ATOM 59172 C8 A 02809 195.008 110.312 135.493 1.00737.35 C ATOM 59173 N7 A 02809 194.810 110.152 136.778 1.00737.35 N ATOM 59174 C5 A 02809 194.430 108.823 136.894 1.00737.35 C ATOM 59175 C6 A 02809 194.083 108.033 138.005 1.00737.35 C ATOM 59176 N6 A 02809 194.060 108.488 139.259 1.00737.35 N ATOM 59177 N1 A 02809 193.756 106.741 137.780 1.00737.35 N ATOM 59178 C2 A 02809 193.780 106.284 136.521 1.00737.35 C ATOM 59179 N3 A 02809 194.090 106.927 135.398 1.00737.35 N ATOM 59180 C4 A 02809 194.411 108.207 135.655 1.00737.35 C ATOM 59181 P A 02810 191.518 111.646 131.045 1.00737.35 P ATOM 59182 O1P A 02810 191.013 111.831 129.660 1.00737.35 O ATOM 59183 O2P A 02810 191.673 112.826 131.933 1.00737.35 O ATOM 59184 O5* A 02810 190.569 110.593 131.776 1.00737.35 O ATOM 59185 C5* A 02810 190.551 109.219 131.382 1.00737.35 C ATOM 59186 C4* A 02810 189.424 108.489 132.074 1.00737.35 C ATOM 59187 O4* A 02810 189.547 108.672 133.507 1.00737.35 O ATOM 59188 C3* A 02810 188.017 108.966 131.747 1.00737.35 C ATOM 59189 O3* A 02810 187.556 108.319 130.563 1.00737.35 O ATOM 59190 C2* A 02810 187.229 108.527 132.979 1.00737.35 C ATOM 59191 O2* A 02810 186.829 107.171 132.940 1.00737.35 O ATOM 59192 C1* A 02810 188.255 108.730 134.094 1.00737.35 C ATOM 59193 N9 A 02810 188.121 110.009 134.793 1.00737.35 N ATOM 59194 C8 A 02810 188.523 111.256 134.372 1.00737.35 C ATOM 59195 N7 A 02810 188.259 112.214 135.227 1.00737.35 N ATOM 59196 C5 A 02810 187.639 111.558 136.282 1.00737.35 C ATOM 59197 C6 A 02810 187.116 112.015 137.505 1.00737.35 C ATOM 59198 N6 A 02810 187.133 113.294 137.885 1.00737.35 N ATOM 59199 N1 A 02810 186.567 111.101 138.334 1.00737.35 N ATOM 59200 C2 A 02810 186.550 109.818 137.952 1.00737.35 C ATOM 59201 N3 A 02810 187.009 109.268 136.830 1.00737.35 N ATOM 59202 C4 A 02810 187.548 110.201 136.029 1.00737.35 C ATOM 59203 P G 02811 186.178 108.783 129.867 1.00737.35 P ATOM 59204 O1P G 02811 186.530 109.301 128.519 1.00737.35 O ATOM 59205 O2P G 02811 185.418 109.648 130.806 1.00737.35 O ATOM 59206 O5* G 02811 185.375 107.415 129.700 1.00737.35 O ATOM 59207 C5* G 02811 184.923 106.966 128.420 1.00737.35 C ATOM 59208 C4* G 02811 185.020 105.459 128.331 1.00737.35 C ATOM 59209 O4* G 02811 186.418 105.062 128.352 1.00737.35 O ATOM 59210 C3* G 02811 184.375 104.688 129.472 1.00737.35 C ATOM 59211 O3* G 02811 182.989 104.478 129.217 1.00737.35 O ATOM 59212 C2* G 02811 185.165 103.385 129.479 1.00737.35 C ATOM 59213 O2* G 02811 184.716 102.460 128.509 1.00737.35 O ATOM 59214 C1* G 02811 186.568 103.876 129.116 1.00737.35 C ATOM 59215 N9 G 02811 187.417 104.179 130.267 1.00737.35 N ATOM 59216 C8 G 02811 187.856 105.421 130.661 1.00737.35 C ATOM 59217 N7 G 02811 188.607 105.389 131.727 1.00737.35 N ATOM 59218 C5 G 02811 188.670 104.045 132.063 1.00737.35 C ATOM 59219 C6 G 02811 189.343 103.400 133.132 1.00737.35 C ATOM 59220 O6 G 02811 190.036 103.905 134.023 1.00737.35 O ATOM 59221 N1 G 02811 189.146 102.024 133.102 1.00737.35 N ATOM 59222 C2 G 02811 188.400 101.352 132.167 1.00737.35 C ATOM 59223 N2 G 02811 188.333 100.024 132.312 1.00737.35 N ATOM 59224 N3 G 02811 187.766 101.942 131.163 1.00737.35 N ATOM 59225 C4 G 02811 187.943 103.282 131.173 1.00737.35 C ATOM 59226 P A 02812 181.958 104.331 130.443 1.00737.35 P ATOM 59227 O1P A 02812 180.587 104.377 129.872 1.00737.35 O ATOM 59228 O2P A 02812 182.340 105.296 131.507 1.00737.35 O ATOM 59229 O5* A 02812 182.216 102.857 130.991 1.00737.35 O ATOM 59230 C5* A 02812 181.964 101.713 130.177 1.00737.35 C ATOM 59231 C4* A 02812 182.530 100.471 130.829 1.00737.35 C ATOM 59232 O4* A 02812 183.968 100.626 130.966 1.00737.35 O ATOM 59233 C3* A 02812 182.032 100.181 132.236 1.00737.35 C ATOM 59234 O3* A 02812 180.821 99.431 132.204 1.00737.35 O ATOM 59235 C2* A 02812 183.183 99.382 132.831 1.00737.35 C ATOM 59236 O2* A 02812 183.173 98.021 132.445 1.00737.35 O ATOM 59237 C1* A 02812 184.390 100.088 132.210 1.00737.35 C ATOM 59238 N9 A 02812 184.909 101.185 133.029 1.00737.35 N ATOM 59239 C8 A 02812 184.751 102.535 132.826 1.00737.35 C ATOM 59240 N7 A 02812 185.334 103.281 133.733 1.00737.35 N ATOM 59241 C5 A 02812 185.918 102.362 134.593 1.00737.35 C ATOM 59242 C6 A 02812 186.682 102.518 135.761 1.00737.35 C ATOM 59243 N6 A 02812 187.003 103.705 136.278 1.00737.35 N ATOM 59244 N1 A 02812 187.110 101.399 136.384 1.00737.35 N ATOM 59245 C2 A 02812 186.785 100.209 135.861 1.00737.35 C ATOM 59246 N3 A 02812 186.073 99.935 134.770 1.00737.35 N ATOM 59247 C4 A 02812 185.663 101.067 134.173 1.00737.35 C ATOM 59248 P G 02813 179.795 99.518 133.439 1.00737.35 P ATOM 59249 O1P G 02813 178.617 98.682 133.091 1.00737.35 O ATOM 59250 O2P G 02813 179.599 100.948 133.789 1.00737.35 O ATOM 59251 O5* G 02813 180.574 98.815 134.640 1.00737.35 O ATOM 59252 C5* G 02813 180.709 97.396 134.700 1.00737.35 C ATOM 59253 C4* G 02813 181.356 96.987 136.006 1.00737.35 C ATOM 59254 O4* G 02813 182.719 97.486 136.047 1.00737.35 O ATOM 59255 C3* G 02813 180.701 97.541 137.262 1.00737.35 C ATOM 59256 O3* G 02813 179.620 96.712 137.681 1.00737.35 O ATOM 59257 C2* G 02813 181.851 97.533 138.260 1.00737.35 C ATOM 59258 O2* G 02813 182.080 96.261 138.839 1.00737.35 O ATOM 59259 C1* G 02813 183.033 97.913 137.364 1.00737.35 C ATOM 59260 N9 G 02813 183.308 99.348 137.328 1.00737.35 N ATOM 59261 C8 G 02813 183.010 100.221 136.307 1.00737.35 C ATOM 59262 N7 G 02813 183.383 101.446 136.555 1.00737.35 N ATOM 59263 C5 G 02813 183.959 101.383 137.815 1.00737.35 C ATOM 59264 C6 G 02813 184.544 102.401 138.608 1.00737.35 C ATOM 59265 O6 G 02813 184.676 103.602 138.344 1.00737.35 O ATOM 59266 N1 G 02813 185.004 101.905 139.823 1.00737.35 N ATOM 59267 C2 G 02813 184.916 100.598 140.226 1.00737.35 C ATOM 59268 N2 G 02813 185.419 100.318 141.439 1.00737.35 N ATOM 59269 N3 G 02813 184.376 99.634 139.496 1.00737.35 N ATOM 59270 C4 G 02813 183.920 100.095 138.310 1.00737.35 C ATOM 59271 P G 02814 178.377 97.360 138.470 1.00737.35 P ATOM 59272 O1P G 02814 177.413 96.263 138.747 1.00737.35 O ATOM 59273 O2P G 02814 177.926 98.565 137.730 1.00737.35 O ATOM 59274 O5* G 02814 179.007 97.833 139.855 1.00737.35 O ATOM 59275 C5* G 02814 179.494 96.882 140.804 1.00737.35 C ATOM 59276 C4* G 02814 180.176 97.590 141.952 1.00737.35 C ATOM 59277 O4* G 02814 181.344 98.298 141.456 1.00737.35 O ATOM 59278 C3* G 02814 179.353 98.662 142.650 1.00737.35 C ATOM 59279 O3* G 02814 178.506 98.092 143.644 1.00737.35 O ATOM 59280 C2* G 02814 180.429 99.550 143.260 1.00737.35 C ATOM 59281 O2* G 02814 180.956 99.039 144.469 1.00737.35 O ATOM 59282 C1* G 02814 181.505 99.514 142.170 1.00737.35 C ATOM 59283 N9 G 02814 181.412 100.625 141.225 1.00737.35 N ATOM 59284 C8 G 02814 180.829 100.611 139.980 1.00737.35 C ATOM 59285 N7 G 02814 180.901 101.760 139.365 1.00737.35 N ATOM 59286 C5 G 02814 181.571 102.585 140.258 1.00737.35 C ATOM 59287 C6 G 02814 181.943 103.949 140.146 1.00737.35 C ATOM 59288 O6 G 02814 181.747 104.729 139.205 1.00737.35 O ATOM 59289 N1 G 02814 182.607 104.393 141.285 1.00737.35 N ATOM 59290 C2 G 02814 182.881 103.626 142.390 1.00737.35 C ATOM 59291 N2 G 02814 183.532 104.239 143.389 1.00737.35 N ATOM 59292 N3 G 02814 182.539 102.353 142.506 1.00737.35 N ATOM 59293 C4 G 02814 181.893 101.900 141.412 1.00737.35 C ATOM 59294 P C 02815 177.112 98.805 144.009 1.00737.35 P ATOM 59295 O1P C 02815 176.447 97.970 145.042 1.00737.35 O ATOM 59296 O2P C 02815 176.397 99.117 142.746 1.00737.35 O ATOM 59297 O5* C 02815 177.552 100.181 144.685 1.00737.35 O ATOM 59298 C5* C 02815 178.221 100.201 145.945 1.00737.35 C ATOM 59299 C4* C 02815 178.658 101.608 146.286 1.00737.35 C ATOM 59300 O4* C 02815 179.631 102.059 145.309 1.00737.35 O ATOM 59301 C3* C 02815 177.569 102.667 146.252 1.00737.35 C ATOM 59302 O3* C 02815 176.850 102.702 147.482 1.00737.35 O ATOM 59303 C2* C 02815 178.368 103.944 146.025 1.00737.35 C ATOM 59304 O2* C 02815 178.949 104.459 147.206 1.00737.35 O ATOM 59305 C1* C 02815 179.467 103.452 145.080 1.00737.35 C ATOM 59306 N1 C 02815 179.163 103.666 143.648 1.00737.35 N ATOM 59307 C2 C 02815 179.440 104.919 143.074 1.00737.35 C ATOM 59308 O2 C 02815 179.927 105.819 143.783 1.00737.35 O ATOM 59309 N3 C 02815 179.170 105.119 141.763 1.00737.35 N ATOM 59310 C4 C 02815 178.646 104.133 141.033 1.00737.35 C ATOM 59311 N4 C 02815 178.400 104.378 139.742 1.00737.35 N ATOM 59312 C5 C 02815 178.351 102.854 141.588 1.00737.35 C ATOM 59313 C6 C 02815 178.622 102.667 142.885 1.00737.35 C ATOM 59314 P C 02816 175.334 103.240 147.504 1.00737.35 P ATOM 59315 O1P C 02816 174.822 103.051 148.887 1.00737.35 O ATOM 59316 O2P C 02816 174.599 102.630 146.364 1.00737.35 O ATOM 59317 O5* C 02816 175.476 104.803 147.228 1.00737.35 O ATOM 59318 C5* C 02816 176.038 105.674 148.208 1.00737.35 C ATOM 59319 C4* C 02816 176.152 107.079 147.661 1.00737.35 C ATOM 59320 O4* C 02816 177.092 107.090 146.553 1.00737.35 O ATOM 59321 C3* C 02816 174.878 107.669 147.078 1.00737.35 C ATOM 59322 O3* C 02816 174.058 108.234 148.094 1.00737.35 O ATOM 59323 C2* C 02816 175.420 108.724 146.123 1.00737.35 C ATOM 59324 O2* C 02816 175.793 109.924 146.773 1.00737.35 O ATOM 59325 C1* C 02816 176.663 108.023 145.570 1.00737.35 C ATOM 59326 N1 C 02816 176.414 107.298 144.307 1.00737.35 N ATOM 59327 C2 C 02816 176.484 108.005 143.094 1.00737.35 C ATOM 59328 O2 C 02816 176.755 109.218 143.110 1.00737.35 O ATOM 59329 N3 C 02816 176.253 107.346 141.935 1.00737.35 N ATOM 59330 C4 C 02816 175.960 106.045 141.952 1.00737.35 C ATOM 59331 N4 C 02816 175.737 105.440 140.781 1.00737.35 N ATOM 59332 C5 C 02816 175.881 105.303 143.166 1.00737.35 C ATOM 59333 C6 C 02816 176.112 105.962 144.309 1.00737.35 C ATOM 59334 P A 02817 172.469 108.339 147.871 1.00737.35 P ATOM 59335 O1P A 02817 171.881 108.856 149.133 1.00737.35 O ATOM 59336 O2P A 02817 171.986 107.049 147.314 1.00737.35 O ATOM 59337 O5* A 02817 172.313 109.458 146.746 1.00737.35 O ATOM 59338 C5* A 02817 172.499 110.838 147.054 1.00737.35 C ATOM 59339 C4* A 02817 172.263 111.694 145.829 1.00737.35 C ATOM 59340 O4* A 02817 173.299 111.441 144.845 1.00737.35 O ATOM 59341 C3* A 02817 170.963 111.438 145.082 1.00737.35 C ATOM 59342 O3* A 02817 169.879 112.138 145.682 1.00737.35 O ATOM 59343 C2* A 02817 171.283 111.963 143.689 1.00737.35 C ATOM 59344 O2* A 02817 171.161 113.369 143.580 1.00737.35 O ATOM 59345 C1* A 02817 172.754 111.557 143.539 1.00737.35 C ATOM 59346 N9 A 02817 172.938 110.282 142.842 1.00737.35 N ATOM 59347 C8 A 02817 173.136 109.039 143.394 1.00737.35 C ATOM 59348 N7 A 02817 173.270 108.081 142.510 1.00737.35 N ATOM 59349 C5 A 02817 173.149 108.735 141.291 1.00737.35 C ATOM 59350 C6 A 02817 173.198 108.275 139.964 1.00737.35 C ATOM 59351 N6 A 02817 173.389 106.995 139.637 1.00737.35 N ATOM 59352 N1 A 02817 173.042 109.182 138.976 1.00737.35 N ATOM 59353 C2 A 02817 172.850 110.464 139.313 1.00737.35 C ATOM 59354 N3 A 02817 172.785 111.020 140.521 1.00737.35 N ATOM 59355 C4 A 02817 172.944 110.090 141.479 1.00737.35 C ATOM 59356 P G 02818 168.376 111.595 145.494 1.00737.35 P ATOM 59357 O1P G 02818 167.490 112.481 146.292 1.00737.35 O ATOM 59358 O2P G 02818 168.369 110.133 145.751 1.00737.35 O ATOM 59359 O5* G 02818 168.073 111.838 143.949 1.00737.35 O ATOM 59360 C5* G 02818 167.955 113.162 143.427 1.00737.35 C ATOM 59361 C4* G 02818 167.774 113.126 141.924 1.00737.35 C ATOM 59362 O4* G 02818 168.980 112.621 141.292 1.00737.35 O ATOM 59363 C3* G 02818 166.663 112.229 141.402 1.00737.35 C ATOM 59364 O3* G 02818 165.408 112.900 141.452 1.00737.35 O ATOM 59365 C2* G 02818 167.113 111.964 139.970 1.00737.35 C ATOM 59366 O2* G 02818 166.795 113.016 139.079 1.00737.35 O ATOM 59367 C1* G 02818 168.633 111.869 140.139 1.00737.35 C ATOM 59368 N9 G 02818 169.100 110.498 140.323 1.00737.35 N ATOM 59369 C8 G 02818 169.395 109.877 141.513 1.00737.35 C ATOM 59370 N7 G 02818 169.773 108.638 141.364 1.00737.35 N ATOM 59371 C5 G 02818 169.729 108.427 139.994 1.00737.35 C ATOM 59372 C6 G 02818 170.028 107.267 139.238 1.00737.35 C ATOM 59373 O6 G 02818 170.397 106.162 139.643 1.00737.35 O ATOM 59374 N1 G 02818 169.854 107.487 137.875 1.00737.35 N ATOM 59375 C2 G 02818 169.442 108.668 137.310 1.00737.35 C ATOM 59376 N2 G 02818 169.332 108.680 135.970 1.00737.35 N ATOM 59377 N3 G 02818 169.158 109.757 138.006 1.00737.35 N ATOM 59378 C4 G 02818 169.322 109.566 139.335 1.00737.35 C ATOM 59379 P G 02819 164.046 112.045 141.509 1.00737.35 P ATOM 59380 O1P G 02819 162.930 113.016 141.632 1.00737.35 O ATOM 59381 O2P G 02819 164.198 110.969 142.522 1.00737.35 O ATOM 59382 O5* G 02819 163.961 111.364 140.070 1.00737.35 O ATOM 59383 C5* G 02819 163.822 112.157 138.892 1.00737.35 C ATOM 59384 C4* G 02819 164.012 111.306 137.658 1.00737.35 C ATOM 59385 O4* G 02819 165.362 110.769 137.643 1.00737.35 O ATOM 59386 C3* G 02819 163.122 110.077 137.555 1.00737.35 C ATOM 59387 O3* G 02819 161.846 110.412 137.015 1.00737.35 O ATOM 59388 C2* G 02819 163.920 109.178 136.620 1.00737.35 C ATOM 59389 O2* G 02819 163.765 109.517 135.258 1.00737.35 O ATOM 59390 C1* G 02819 165.354 109.471 137.066 1.00737.35 C ATOM 59391 N9 G 02819 165.859 108.518 138.053 1.00737.35 N ATOM 59392 C8 G 02819 165.973 108.704 139.411 1.00737.35 C ATOM 59393 N7 G 02819 166.460 107.666 140.033 1.00737.35 N ATOM 59394 C5 G 02819 166.681 106.735 139.028 1.00737.35 C ATOM 59395 C6 G 02819 167.199 105.415 139.095 1.00737.35 C ATOM 59396 O6 G 02819 167.580 104.786 140.089 1.00737.35 O ATOM 59397 N1 G 02819 167.254 104.823 137.837 1.00737.35 N ATOM 59398 C2 G 02819 166.862 105.419 136.665 1.00737.35 C ATOM 59399 N2 G 02819 166.990 104.681 135.553 1.00737.35 N ATOM 59400 N3 G 02819 166.378 106.649 136.587 1.00737.35 N ATOM 59401 C4 G 02819 166.316 107.244 137.799 1.00737.35 C ATOM 59402 P C 02820 160.568 109.506 137.375 1.00737.35 P ATOM 59403 O1P C 02820 159.407 110.070 136.638 1.00737.35 O ATOM 59404 O2P C 02820 160.495 109.354 138.849 1.00737.35 O ATOM 59405 O5* C 02820 160.914 108.083 136.744 1.00737.35 O ATOM 59406 C5* C 02820 161.045 107.917 135.332 1.00737.35 C ATOM 59407 C4* C 02820 161.494 106.510 135.007 1.00737.35 C ATOM 59408 O4* C 02820 162.819 106.284 135.553 1.00737.35 O ATOM 59409 C3* C 02820 160.648 105.396 135.598 1.00737.35 C ATOM 59410 O3* C 02820 159.509 105.135 134.785 1.00737.35 O ATOM 59411 C2* C 02820 161.625 104.223 135.616 1.00737.35 C ATOM 59412 O2* C 02820 161.742 103.580 134.362 1.00737.35 O ATOM 59413 C1* C 02820 162.938 104.929 135.965 1.00737.35 C ATOM 59414 N1 C 02820 163.268 104.892 137.404 1.00737.35 N ATOM 59415 C2 C 02820 163.982 103.793 137.911 1.00737.35 C ATOM 59416 O2 C 02820 164.318 102.879 137.138 1.00737.35 O ATOM 59417 N3 C 02820 164.286 103.753 139.228 1.00737.35 N ATOM 59418 C4 C 02820 163.909 104.749 140.033 1.00737.35 C ATOM 59419 N4 C 02820 164.234 104.665 141.324 1.00737.35 N ATOM 59420 C5 C 02820 163.185 105.878 139.547 1.00737.35 C ATOM 59421 C6 C 02820 162.888 105.907 138.241 1.00737.35 C ATOM 59422 P G 02821 158.150 104.602 135.462 1.00737.35 P ATOM 59423 O1P G 02821 157.108 104.586 134.402 1.00737.35 O ATOM 59424 O2P G 02821 157.912 105.368 136.712 1.00737.35 O ATOM 59425 O5* G 02821 158.488 103.098 135.859 1.00737.35 O ATOM 59426 C5* G 02821 158.543 102.072 134.870 1.00737.35 C ATOM 59427 C4* G 02821 158.785 100.729 135.518 1.00737.35 C ATOM 59428 O4* G 02821 160.114 100.700 136.098 1.00737.35 O ATOM 59429 C3* G 02821 157.863 100.377 136.673 1.00737.35 C ATOM 59430 O3* G 02821 156.628 99.845 136.204 1.00737.35 O ATOM 59431 C2* G 02821 158.689 99.348 137.440 1.00737.35 C ATOM 59432 O2* G 02821 158.625 98.054 136.876 1.00737.35 O ATOM 59433 C1* G 02821 160.101 99.916 137.280 1.00737.35 C ATOM 59434 N9 G 02821 160.522 100.756 138.399 1.00737.35 N ATOM 59435 C8 G 02821 160.297 102.104 138.559 1.00737.35 C ATOM 59436 N7 G 02821 160.798 102.578 139.666 1.00737.35 N ATOM 59437 C5 G 02821 161.389 101.480 140.276 1.00737.35 C ATOM 59438 C6 G 02821 162.091 101.381 141.505 1.00737.35 C ATOM 59439 O6 G 02821 162.339 102.272 142.329 1.00737.35 O ATOM 59440 N1 G 02821 162.526 100.080 141.742 1.00737.35 N ATOM 59441 C2 G 02821 162.312 99.012 140.906 1.00737.35 C ATOM 59442 N2 G 02821 162.809 97.835 141.311 1.00737.35 N ATOM 59443 N3 G 02821 161.660 99.092 139.757 1.00737.35 N ATOM 59444 C4 G 02821 161.227 100.348 139.508 1.00737.35 C ATOM 59445 P U 02822 155.304 99.983 137.105 1.00737.35 P ATOM 59446 O1P U 02822 154.142 99.666 136.238 1.00737.35 O ATOM 59447 O2P U 02822 155.350 101.284 137.822 1.00737.35 O ATOM 59448 O5* U 02822 155.457 98.818 138.183 1.00737.35 O ATOM 59449 C5* U 02822 155.554 97.454 137.779 1.00737.35 C ATOM 59450 C4* U 02822 156.046 96.601 138.925 1.00737.35 C ATOM 59451 O4* U 02822 157.382 97.029 139.297 1.00737.35 O ATOM 59452 C3* U 02822 155.240 96.706 140.211 1.00737.35 C ATOM 59453 O3* U 02822 154.125 95.817 140.185 1.00737.35 O ATOM 59454 C2* U 02822 156.265 96.301 141.264 1.00737.35 C ATOM 59455 O2* U 02822 156.434 94.902 141.369 1.00737.35 O ATOM 59456 C1* U 02822 157.541 96.937 140.703 1.00737.35 C ATOM 59457 N1 U 02822 157.813 98.285 141.233 1.00737.35 N ATOM 59458 C2 U 02822 158.558 98.384 142.401 1.00737.35 C ATOM 59459 O2 U 02822 158.988 97.415 143.004 1.00737.35 O ATOM 59460 N3 U 02822 158.778 99.666 142.840 1.00737.35 N ATOM 59461 C4 U 02822 158.343 100.835 142.249 1.00737.35 C ATOM 59462 O4 U 02822 158.633 101.916 142.762 1.00737.35 O ATOM 59463 C5 U 02822 157.581 100.651 141.053 1.00737.35 C ATOM 59464 C6 U 02822 157.348 99.416 140.597 1.00737.35 C ATOM 59465 P G 02823 152.683 96.330 140.679 1.00737.35 P ATOM 59466 O1P G 02823 151.760 95.169 140.625 1.00737.35 O ATOM 59467 O2P G 02823 152.344 97.569 139.932 1.00737.35 O ATOM 59468 O5* G 02823 152.905 96.718 142.208 1.00737.35 O ATOM 59469 C5* G 02823 153.515 95.802 143.114 1.00737.35 C ATOM 59470 C4* G 02823 154.196 96.547 144.238 1.00737.35 C ATOM 59471 O4* G 02823 155.142 97.493 143.672 1.00737.35 O ATOM 59472 C3* G 02823 153.298 97.399 145.122 1.00737.35 C ATOM 59473 O3* G 02823 152.711 96.594 146.145 1.00737.35 O ATOM 59474 C2* G 02823 154.282 98.420 145.682 1.00737.35 C ATOM 59475 O2* G 02823 155.061 97.908 146.743 1.00737.35 O ATOM 59476 C1* G 02823 155.189 98.662 144.474 1.00737.35 C ATOM 59477 N9 G 02823 154.783 99.804 143.660 1.00737.35 N ATOM 59478 C8 G 02823 153.912 99.800 142.596 1.00737.35 C ATOM 59479 N7 G 02823 153.746 100.981 142.065 1.00737.35 N ATOM 59480 C5 G 02823 154.557 101.816 142.822 1.00737.35 C ATOM 59481 C6 G 02823 154.790 103.212 142.717 1.00737.35 C ATOM 59482 O6 G 02823 154.310 104.016 141.908 1.00737.35 O ATOM 59483 N1 G 02823 155.684 103.656 143.685 1.00737.35 N ATOM 59484 C2 G 02823 156.279 102.859 144.633 1.00737.35 C ATOM 59485 N2 G 02823 157.117 103.475 145.481 1.00737.35 N ATOM 59486 N3 G 02823 156.072 101.558 144.742 1.00737.35 N ATOM 59487 C4 G 02823 155.205 101.106 143.810 1.00737.35 C ATOM 59488 P C 02824 151.682 97.244 147.202 1.00737.35 P ATOM 59489 O1P C 02824 150.579 96.269 147.394 1.00737.35 O ATOM 59490 O2P C 02824 151.364 98.637 146.791 1.00737.35 O ATOM 59491 O5* C 02824 152.521 97.304 148.558 1.00737.35 O ATOM 59492 C5* C 02824 153.520 96.324 148.837 1.00737.35 C ATOM 59493 C4* C 02824 154.572 96.884 149.765 1.00737.35 C ATOM 59494 O4* C 02824 155.042 98.157 149.245 1.00737.35 O ATOM 59495 C3* C 02824 154.136 97.195 151.189 1.00737.35 C ATOM 59496 O3* C 02824 154.146 95.977 151.943 1.00737.35 O ATOM 59497 C2* C 02824 155.173 98.233 151.614 1.00737.35 C ATOM 59498 O2* C 02824 156.413 97.669 151.991 1.00737.35 O ATOM 59499 C1* C 02824 155.347 99.032 150.321 1.00737.35 C ATOM 59500 N1 C 02824 154.471 100.220 150.230 1.00737.35 N ATOM 59501 C2 C 02824 154.911 101.434 150.784 1.00737.35 C ATOM 59502 O2 C 02824 156.024 101.481 151.334 1.00737.35 O ATOM 59503 N3 C 02824 154.112 102.524 150.707 1.00737.35 N ATOM 59504 C4 C 02824 152.921 102.436 150.107 1.00737.35 C ATOM 59505 N4 C 02824 152.167 103.536 150.054 1.00737.35 N ATOM 59506 C5 C 02824 152.452 101.219 149.537 1.00737.35 C ATOM 59507 C6 C 02824 153.249 100.147 149.618 1.00737.35 C ATOM 59508 P A 02825 154.398 95.991 153.537 1.00737.35 P ATOM 59509 O1P A 02825 153.574 94.893 154.104 1.00737.35 O ATOM 59510 O2P A 02825 154.253 97.366 154.080 1.00737.35 O ATOM 59511 O5* A 02825 155.925 95.553 153.662 1.00737.35 O ATOM 59512 C5* A 02825 156.456 94.532 152.817 1.00737.35 C ATOM 59513 C4* A 02825 157.920 94.297 153.106 1.00737.35 C ATOM 59514 O4* A 02825 158.680 95.496 152.811 1.00737.35 O ATOM 59515 C3* A 02825 158.279 93.976 154.545 1.00737.35 C ATOM 59516 O3* A 02825 158.062 92.596 154.820 1.00737.35 O ATOM 59517 C2* A 02825 159.760 94.343 154.595 1.00737.35 C ATOM 59518 O2* A 02825 160.601 93.332 154.076 1.00737.35 O ATOM 59519 C1* A 02825 159.802 95.569 153.679 1.00737.35 C ATOM 59520 N9 A 02825 159.756 96.845 154.396 1.00737.35 N ATOM 59521 C8 A 02825 158.652 97.523 154.858 1.00737.35 C ATOM 59522 N7 A 02825 158.941 98.646 155.468 1.00737.35 N ATOM 59523 C5 A 02825 160.327 98.713 155.407 1.00737.35 C ATOM 59524 C6 A 02825 161.249 99.667 155.877 1.00737.35 C ATOM 59525 N6 A 02825 160.900 100.781 156.525 1.00737.35 N ATOM 59526 N1 A 02825 162.560 99.435 155.650 1.00737.35 N ATOM 59527 C2 A 02825 162.910 98.320 155.000 1.00737.35 C ATOM 59528 N3 A 02825 162.138 97.350 154.511 1.00737.35 N ATOM 59529 C4 A 02825 160.841 97.610 154.750 1.00737.35 C ATOM 59530 P C 02826 157.843 92.107 156.336 1.00737.35 P ATOM 59531 O1P C 02826 157.359 90.704 156.283 1.00737.35 O ATOM 59532 O2P C 02826 157.038 93.131 157.055 1.00737.35 O ATOM 59533 O5* C 02826 159.313 92.110 156.950 1.00737.35 O ATOM 59534 C5* C 02826 160.273 91.130 156.557 1.00737.35 C ATOM 59535 C4* C 02826 161.577 91.351 157.287 1.00737.35 C ATOM 59536 O4* C 02826 162.174 92.599 156.849 1.00737.35 O ATOM 59537 C3* C 02826 161.467 91.493 158.794 1.00737.35 C ATOM 59538 O3* C 02826 161.432 90.219 159.429 1.00737.35 O ATOM 59539 C2* C 02826 162.731 92.272 159.140 1.00737.35 C ATOM 59540 O2* C 02826 163.882 91.454 159.219 1.00737.35 O ATOM 59541 C1* C 02826 162.847 93.214 157.938 1.00737.35 C ATOM 59542 N1 C 02826 162.255 94.548 158.169 1.00737.35 N ATOM 59543 C2 C 02826 163.051 95.552 158.748 1.00737.35 C ATOM 59544 O2 C 02826 164.229 95.294 159.053 1.00737.35 O ATOM 59545 N3 C 02826 162.515 96.777 158.960 1.00737.35 N ATOM 59546 C4 C 02826 161.246 97.018 158.622 1.00737.35 C ATOM 59547 N4 C 02826 160.762 98.241 158.850 1.00737.35 N ATOM 59548 C5 C 02826 160.418 96.020 158.034 1.00737.35 C ATOM 59549 C6 C 02826 160.957 94.811 157.827 1.00737.35 C ATOM 59550 P G 02827 160.317 89.920 160.550 1.00737.35 P ATOM 59551 O1P G 02827 160.630 88.593 161.141 1.00737.35 O ATOM 59552 O2P G 02827 158.977 90.158 159.956 1.00737.35 O ATOM 59553 O5* G 02827 160.577 91.035 161.659 1.00737.35 O ATOM 59554 C5* G 02827 161.796 91.063 162.400 1.00737.35 C ATOM 59555 C4* G 02827 161.885 92.331 163.216 1.00737.35 C ATOM 59556 O4* G 02827 161.937 93.477 162.324 1.00737.35 O ATOM 59557 C3* G 02827 160.700 92.617 164.124 1.00737.35 C ATOM 59558 O3* G 02827 160.820 91.920 165.361 1.00737.35 O ATOM 59559 C2* G 02827 160.788 94.128 164.302 1.00737.35 C ATOM 59560 O2* G 02827 161.744 94.521 165.268 1.00737.35 O ATOM 59561 C1* G 02827 161.244 94.570 162.908 1.00737.35 C ATOM 59562 N9 G 02827 160.138 94.942 162.030 1.00737.35 N ATOM 59563 C8 G 02827 159.409 94.112 161.212 1.00737.35 C ATOM 59564 N7 G 02827 158.476 94.737 160.546 1.00737.35 N ATOM 59565 C5 G 02827 158.596 96.061 160.947 1.00737.35 C ATOM 59566 C6 G 02827 157.852 97.208 160.563 1.00737.35 C ATOM 59567 O6 G 02827 156.910 97.284 159.766 1.00737.35 O ATOM 59568 N1 G 02827 158.307 98.351 161.213 1.00737.35 N ATOM 59569 C2 G 02827 159.341 98.389 162.115 1.00737.35 C ATOM 59570 N2 G 02827 159.629 99.593 162.631 1.00737.35 N ATOM 59571 N3 G 02827 160.040 97.329 162.480 1.00737.35 N ATOM 59572 C4 G 02827 159.618 96.206 161.862 1.00737.35 C ATOM 59573 P C 02828 159.501 91.576 166.215 1.00737.35 P ATOM 59574 O1P C 02828 159.928 90.740 167.367 1.00737.35 O ATOM 59575 O2P C 02828 158.456 91.068 165.288 1.00737.35 O ATOM 59576 O5* C 02828 159.027 92.991 166.772 1.00737.35 O ATOM 59577 C5* C 02828 159.844 93.730 167.680 1.00737.35 C ATOM 59578 C4* C 02828 159.277 95.114 167.895 1.00737.35 C ATOM 59579 O4* C 02828 159.295 95.845 166.640 1.00737.35 O ATOM 59580 C3* C 02828 157.825 95.180 168.340 1.00737.35 C ATOM 59581 O3* C 02828 157.713 95.003 169.749 1.00737.35 O ATOM 59582 C2* C 02828 157.418 96.584 167.907 1.00737.35 C ATOM 59583 O2* C 02828 157.833 97.587 168.810 1.00737.35 O ATOM 59584 C1* C 02828 158.185 96.728 166.588 1.00737.35 C ATOM 59585 N1 C 02828 157.374 96.405 165.394 1.00737.35 N ATOM 59586 C2 C 02828 156.598 97.418 164.807 1.00737.35 C ATOM 59587 O2 C 02828 156.616 98.560 165.299 1.00737.35 O ATOM 59588 N3 C 02828 155.850 97.130 163.716 1.00737.35 N ATOM 59589 C4 C 02828 155.852 95.894 163.212 1.00737.35 C ATOM 59590 N4 C 02828 155.098 95.656 162.137 1.00737.35 N ATOM 59591 C5 C 02828 156.630 94.845 163.787 1.00737.35 C ATOM 59592 C6 C 02828 157.367 95.142 164.864 1.00737.35 C ATOM 59593 P A 02829 156.332 94.471 170.381 1.00737.35 P ATOM 59594 O1P A 02829 156.566 94.261 171.833 1.00737.35 O ATOM 59595 O2P A 02829 155.832 93.348 169.549 1.00737.35 O ATOM 59596 O5* A 02829 155.335 95.702 170.212 1.00737.35 O ATOM 59597 C5* A 02829 155.564 96.930 170.901 1.00737.35 C ATOM 59598 C4* A 02829 154.598 97.990 170.422 1.00737.35 C ATOM 59599 O4* A 02829 154.833 98.260 169.015 1.00737.35 O ATOM 59600 C3* A 02829 153.123 97.625 170.492 1.00737.35 C ATOM 59601 O3* A 02829 152.599 97.871 171.794 1.00737.35 O ATOM 59602 C2* A 02829 152.512 98.557 169.450 1.00737.35 C ATOM 59603 O2* A 02829 152.294 99.868 169.935 1.00737.35 O ATOM 59604 C1* A 02829 153.605 98.576 168.378 1.00737.35 C ATOM 59605 N9 A 02829 153.381 97.619 167.293 1.00737.35 N ATOM 59606 C8 A 02829 153.949 96.378 167.120 1.00737.35 C ATOM 59607 N7 A 02829 153.544 95.759 166.039 1.00737.35 N ATOM 59608 C5 A 02829 152.646 96.646 165.460 1.00737.35 C ATOM 59609 C6 A 02829 151.871 96.579 164.290 1.00737.35 C ATOM 59610 N6 A 02829 151.874 95.535 163.455 1.00737.35 N ATOM 59611 N1 A 02829 151.078 97.635 163.999 1.00737.35 N ATOM 59612 C2 A 02829 151.075 98.680 164.833 1.00737.35 C ATOM 59613 N3 A 02829 151.759 98.862 165.961 1.00737.35 N ATOM 59614 C4 A 02829 152.536 97.794 166.222 1.00737.35 C ATOM 59615 P U 02830 151.352 97.004 172.329 1.00737.35 P ATOM 59616 O1P U 02830 151.055 97.468 173.710 1.00737.35 O ATOM 59617 O2P U 02830 151.636 95.568 172.085 1.00737.35 O ATOM 59618 O5* U 02830 150.146 97.442 171.385 1.00737.35 O ATOM 59619 C5* U 02830 149.656 98.782 171.393 1.00737.35 C ATOM 59620 C4* U 02830 148.696 98.997 170.245 1.00737.35 C ATOM 59621 O4* U 02830 149.402 98.813 168.990 1.00737.35 O ATOM 59622 C3* U 02830 147.528 98.028 170.167 1.00737.35 C ATOM 59623 O3* U 02830 146.458 98.449 171.006 1.00737.35 O ATOM 59624 C2* U 02830 147.159 98.087 168.690 1.00737.35 C ATOM 59625 O2* U 02830 146.368 99.212 168.358 1.00737.35 O ATOM 59626 C1* U 02830 148.537 98.214 168.036 1.00737.35 C ATOM 59627 N1 U 02830 149.114 96.923 167.623 1.00737.35 N ATOM 59628 C2 U 02830 148.809 96.454 166.351 1.00737.35 C ATOM 59629 O2 U 02830 148.096 97.063 165.569 1.00737.35 O ATOM 59630 N3 U 02830 149.375 95.245 166.030 1.00737.35 N ATOM 59631 C4 U 02830 150.193 94.470 166.824 1.00737.35 C ATOM 59632 O4 U 02830 150.624 93.401 166.389 1.00737.35 O ATOM 59633 C5 U 02830 150.461 95.018 168.117 1.00737.35 C ATOM 59634 C6 U 02830 149.927 96.193 168.465 1.00737.35 C ATOM 59635 P A 02831 145.437 97.361 171.610 1.00737.35 P ATOM 59636 O1P A 02831 144.681 98.028 172.700 1.00737.35 O ATOM 59637 O2P A 02831 146.191 96.114 171.900 1.00737.35 O ATOM 59638 O5* A 02831 144.437 97.063 170.405 1.00737.35 O ATOM 59639 C5* A 02831 143.335 97.930 170.134 1.00737.35 C ATOM 59640 C4* A 02831 142.512 97.391 168.985 1.00737.35 C ATOM 59641 O4* A 02831 143.294 97.438 167.764 1.00737.35 O ATOM 59642 C3* A 02831 142.080 95.938 169.105 1.00737.35 C ATOM 59643 O3* A 02831 140.897 95.814 169.886 1.00737.35 O ATOM 59644 C2* A 02831 141.847 95.552 167.647 1.00737.35 C ATOM 59645 O2* A 02831 140.591 95.971 167.154 1.00737.35 O ATOM 59646 C1* A 02831 142.965 96.326 166.944 1.00737.35 C ATOM 59647 N9 A 02831 144.179 95.535 166.731 1.00737.35 N ATOM 59648 C8 A 02831 145.253 95.386 167.576 1.00737.35 C ATOM 59649 N7 A 02831 146.196 94.611 167.102 1.00737.35 N ATOM 59650 C5 A 02831 145.712 94.219 165.861 1.00737.35 C ATOM 59651 C6 A 02831 146.244 93.391 164.857 1.00737.35 C ATOM 59652 N6 A 02831 147.431 92.786 164.950 1.00737.35 N ATOM 59653 N1 A 02831 145.508 93.204 163.741 1.00737.35 N ATOM 59654 C2 A 02831 144.319 93.814 163.648 1.00737.35 C ATOM 59655 N3 A 02831 143.714 94.617 164.520 1.00737.35 N ATOM 59656 C4 A 02831 144.471 94.781 165.620 1.00737.35 C ATOM 59657 P G 02832 140.670 94.496 170.780 1.00737.35 P ATOM 59658 O1P G 02832 139.411 94.694 171.543 1.00737.35 O ATOM 59659 O2P G 02832 141.928 94.198 171.510 1.00737.35 O ATOM 59660 O5* G 02832 140.430 93.342 169.710 1.00737.35 O ATOM 59661 C5* G 02832 139.205 93.251 168.986 1.00737.35 C ATOM 59662 C4* G 02832 139.244 92.088 168.022 1.00737.35 C ATOM 59663 O4* G 02832 140.252 92.337 167.006 1.00737.35 O ATOM 59664 C3* G 02832 139.640 90.745 168.616 1.00737.35 C ATOM 59665 O3* G 02832 138.525 90.092 169.214 1.00737.35 O ATOM 59666 C2* G 02832 140.152 89.993 167.395 1.00737.35 C ATOM 59667 O2* G 02832 139.116 89.444 166.603 1.00737.35 O ATOM 59668 C1* G 02832 140.856 91.110 166.624 1.00737.35 C ATOM 59669 N9 G 02832 142.289 91.189 166.906 1.00737.35 N ATOM 59670 C8 G 02832 142.902 91.909 167.904 1.00737.35 C ATOM 59671 N7 G 02832 144.199 91.771 167.911 1.00737.35 N ATOM 59672 C5 G 02832 144.461 90.910 166.854 1.00737.35 C ATOM 59673 C6 G 02832 145.692 90.395 166.373 1.00737.35 C ATOM 59674 O6 G 02832 146.834 90.599 166.799 1.00737.35 O ATOM 59675 N1 G 02832 145.500 89.557 165.278 1.00737.35 N ATOM 59676 C2 G 02832 144.285 89.254 164.719 1.00737.35 C ATOM 59677 N2 G 02832 144.309 88.425 163.663 1.00737.35 N ATOM 59678 N3 G 02832 143.130 89.728 165.157 1.00737.35 N ATOM 59679 C4 G 02832 143.292 90.544 166.221 1.00737.35 C ATOM 59680 P C 02833 138.732 89.235 170.560 1.00737.35 P ATOM 59681 O1P C 02833 137.438 88.573 170.864 1.00737.35 O ATOM 59682 O2P C 02833 139.366 90.111 171.578 1.00737.35 O ATOM 59683 O5* C 02833 139.776 88.106 170.140 1.00737.35 O ATOM 59684 C5* C 02833 140.472 87.347 171.127 1.00737.35 C ATOM 59685 C4* C 02833 140.778 85.961 170.606 1.00737.35 C ATOM 59686 O4* C 02833 139.528 85.269 170.341 1.00737.35 O ATOM 59687 C3* C 02833 141.532 85.899 169.285 1.00737.35 C ATOM 59688 O3* C 02833 142.939 85.997 169.496 1.00737.35 O ATOM 59689 C2* C 02833 141.137 84.527 168.753 1.00737.35 C ATOM 59690 O2* C 02833 141.883 83.470 169.324 1.00737.35 O ATOM 59691 C1* C 02833 139.676 84.433 169.204 1.00737.35 C ATOM 59692 N1 C 02833 138.709 84.858 168.170 1.00737.35 N ATOM 59693 C2 C 02833 138.232 83.905 167.257 1.00737.35 C ATOM 59694 O2 C 02833 138.632 82.731 167.338 1.00737.35 O ATOM 59695 N3 C 02833 137.347 84.287 166.305 1.00737.35 N ATOM 59696 C4 C 02833 136.941 85.557 166.246 1.00737.35 C ATOM 59697 N4 C 02833 136.067 85.889 165.292 1.00737.35 N ATOM 59698 C5 C 02833 137.408 86.544 167.160 1.00737.35 C ATOM 59699 C6 C 02833 138.282 86.156 168.098 1.00737.35 C ATOM 59700 P A 02834 143.863 86.715 168.394 1.00737.35 P ATOM 59701 O1P A 02834 145.271 86.607 168.856 1.00737.35 O ATOM 59702 O2P A 02834 143.291 88.056 168.107 1.00737.35 O ATOM 59703 O5* A 02834 143.697 85.813 167.091 1.00737.35 O ATOM 59704 C5* A 02834 144.108 84.446 167.086 1.00737.35 C ATOM 59705 C4* A 02834 143.604 83.751 165.842 1.00737.35 C ATOM 59706 O4* A 02834 142.152 83.807 165.823 1.00737.35 O ATOM 59707 C3* A 02834 144.024 84.370 164.516 1.00737.35 C ATOM 59708 O3* A 02834 145.306 83.892 164.119 1.00737.35 O ATOM 59709 C2* A 02834 142.921 83.897 163.576 1.00737.35 C ATOM 59710 O2* A 02834 143.113 82.572 163.117 1.00737.35 O ATOM 59711 C1* A 02834 141.695 83.958 164.489 1.00737.35 C ATOM 59712 N9 A 02834 140.957 85.218 164.394 1.00737.35 N ATOM 59713 C8 A 02834 141.236 86.412 165.016 1.00737.35 C ATOM 59714 N7 A 02834 140.385 87.368 164.731 1.00737.35 N ATOM 59715 C5 A 02834 139.483 86.766 163.866 1.00737.35 C ATOM 59716 C6 A 02834 138.341 87.250 163.205 1.00737.35 C ATOM 59717 N6 A 02834 137.894 88.502 163.319 1.00737.35 N ATOM 59718 N1 A 02834 137.664 86.391 162.412 1.00737.35 N ATOM 59719 C2 A 02834 138.114 85.136 162.298 1.00737.35 C ATOM 59720 N3 A 02834 139.171 84.564 162.868 1.00737.35 N ATOM 59721 C4 A 02834 139.823 85.443 163.649 1.00737.35 C ATOM 59722 P A 02835 146.209 84.766 163.115 1.00737.35 P ATOM 59723 O1P A 02835 147.523 84.082 162.997 1.00737.35 O ATOM 59724 O2P A 02835 146.161 86.186 163.547 1.00737.35 O ATOM 59725 O5* A 02835 145.458 84.646 161.715 1.00737.35 O ATOM 59726 C5* A 02835 145.389 83.398 161.022 1.00737.35 C ATOM 59727 C4* A 02835 144.460 83.507 159.836 1.00737.35 C ATOM 59728 O4* A 02835 143.120 83.815 160.306 1.00737.35 O ATOM 59729 C3* A 02835 144.775 84.617 158.844 1.00737.35 C ATOM 59730 O3* A 02835 145.748 84.197 157.891 1.00737.35 O ATOM 59731 C2* A 02835 143.420 84.863 158.193 1.00737.35 C ATOM 59732 O2* A 02835 143.110 83.926 157.180 1.00737.35 O ATOM 59733 C1* A 02835 142.473 84.674 159.381 1.00737.35 C ATOM 59734 N9 A 02835 142.141 85.925 160.064 1.00737.35 N ATOM 59735 C8 A 02835 142.842 86.557 161.063 1.00737.35 C ATOM 59736 N7 A 02835 142.290 87.673 161.472 1.00737.35 N ATOM 59737 C5 A 02835 141.151 87.787 160.690 1.00737.35 C ATOM 59738 C6 A 02835 140.134 88.757 160.636 1.00737.35 C ATOM 59739 N6 A 02835 140.102 89.842 161.414 1.00737.35 N ATOM 59740 N1 A 02835 139.136 88.573 159.743 1.00737.35 N ATOM 59741 C2 A 02835 139.169 87.486 158.964 1.00737.35 C ATOM 59742 N3 A 02835 140.068 86.505 158.920 1.00737.35 N ATOM 59743 C4 A 02835 141.045 86.717 159.819 1.00737.35 C ATOM 59744 P U 02836 146.827 85.254 157.337 1.00737.35 P ATOM 59745 O1P U 02836 147.509 84.622 156.180 1.00737.35 O ATOM 59746 O2P U 02836 147.630 85.744 158.485 1.00737.35 O ATOM 59747 O5* U 02836 145.936 86.458 156.788 1.00737.35 O ATOM 59748 C5* U 02836 146.507 87.744 156.554 1.00737.35 C ATOM 59749 C4* U 02836 145.480 88.821 156.805 1.00737.35 C ATOM 59750 O4* U 02836 144.932 88.655 158.140 1.00737.35 O ATOM 59751 C3* U 02836 146.009 90.248 156.786 1.00737.35 C ATOM 59752 O3* U 02836 146.042 90.762 155.456 1.00737.35 O ATOM 59753 C2* U 02836 145.000 90.981 157.659 1.00737.35 C ATOM 59754 O2* U 02836 143.808 91.316 156.976 1.00737.35 O ATOM 59755 C1* U 02836 144.703 89.926 158.729 1.00737.35 C ATOM 59756 N1 U 02836 145.548 90.044 159.929 1.00737.35 N ATOM 59757 C2 U 02836 145.113 90.876 160.952 1.00737.35 C ATOM 59758 O2 U 02836 144.071 91.510 160.900 1.00737.35 O ATOM 59759 N3 U 02836 145.950 90.938 162.040 1.00737.35 N ATOM 59760 C4 U 02836 147.147 90.273 162.212 1.00737.35 C ATOM 59761 O4 U 02836 147.779 90.427 163.256 1.00737.35 O ATOM 59762 C5 U 02836 147.528 89.439 161.115 1.00737.35 C ATOM 59763 C6 U 02836 146.740 89.355 160.041 1.00737.35 C ATOM 59764 P G 02837 147.044 91.968 155.090 1.00737.35 P ATOM 59765 O1P G 02837 146.953 92.184 153.623 1.00737.35 O ATOM 59766 O2P G 02837 148.366 91.688 155.708 1.00737.35 O ATOM 59767 O5* G 02837 146.410 93.234 155.822 1.00737.35 O ATOM 59768 C5* G 02837 145.129 93.733 155.442 1.00737.35 C ATOM 59769 C4* G 02837 144.668 94.795 156.415 1.00737.35 C ATOM 59770 O4* G 02837 144.533 94.210 157.737 1.00737.35 O ATOM 59771 C3* G 02837 145.617 95.967 156.617 1.00737.35 C ATOM 59772 O3* G 02837 145.432 96.956 155.610 1.00737.35 O ATOM 59773 C2* G 02837 145.209 96.476 157.997 1.00737.35 C ATOM 59774 O2* G 02837 144.056 97.291 157.972 1.00737.35 O ATOM 59775 C1* G 02837 144.901 95.163 158.723 1.00737.35 C ATOM 59776 N9 G 02837 146.037 94.638 159.478 1.00737.35 N ATOM 59777 C8 G 02837 146.885 93.621 159.110 1.00737.35 C ATOM 59778 N7 G 02837 147.811 93.379 159.995 1.00737.35 N ATOM 59779 C5 G 02837 147.562 94.289 161.013 1.00737.35 C ATOM 59780 C6 G 02837 148.241 94.502 162.241 1.00737.35 C ATOM 59781 O6 G 02837 149.228 93.911 162.692 1.00737.35 O ATOM 59782 N1 G 02837 147.654 95.527 162.974 1.00737.35 N ATOM 59783 C2 G 02837 146.557 96.254 162.582 1.00737.35 C ATOM 59784 N2 G 02837 146.141 97.203 163.432 1.00737.35 N ATOM 59785 N3 G 02837 145.916 96.064 161.442 1.00737.35 N ATOM 59786 C4 G 02837 146.469 95.074 160.710 1.00737.35 C ATOM 59787 P U 02838 146.624 97.984 155.273 1.00737.35 P ATOM 59788 O1P U 02838 146.182 98.804 154.115 1.00737.35 O ATOM 59789 O2P U 02838 147.895 97.221 155.185 1.00737.35 O ATOM 59790 O5* U 02838 146.695 98.928 156.555 1.00737.35 O ATOM 59791 C5* U 02838 145.624 99.815 156.874 1.00737.35 C ATOM 59792 C4* U 02838 145.899 100.528 158.177 1.00737.35 C ATOM 59793 O4* U 02838 145.961 99.555 159.255 1.00737.35 O ATOM 59794 C3* U 02838 147.225 101.265 158.263 1.00737.35 C ATOM 59795 O3* U 02838 147.131 102.564 157.687 1.00737.35 O ATOM 59796 C2* U 02838 147.462 101.328 159.768 1.00737.35 C ATOM 59797 O2* U 02838 146.740 102.365 160.404 1.00737.35 O ATOM 59798 C1* U 02838 146.921 99.968 160.216 1.00737.35 C ATOM 59799 N1 U 02838 147.960 98.929 160.325 1.00737.35 N ATOM 59800 C2 U 02838 148.655 98.832 161.523 1.00737.35 C ATOM 59801 O2 U 02838 148.443 99.561 162.479 1.00737.35 O ATOM 59802 N3 U 02838 149.611 97.846 161.560 1.00737.35 N ATOM 59803 C4 U 02838 149.938 96.965 160.549 1.00737.35 C ATOM 59804 O4 U 02838 150.822 96.127 160.737 1.00737.35 O ATOM 59805 C5 U 02838 149.179 97.127 159.347 1.00737.35 C ATOM 59806 C6 U 02838 148.240 98.077 159.276 1.00737.35 C ATOM 59807 P G 02839 148.443 103.260 157.072 1.00737.35 P ATOM 59808 O1P G 02839 148.010 104.536 156.446 1.00737.35 O ATOM 59809 O2P G 02839 149.172 102.257 156.254 1.00737.35 O ATOM 59810 O5* G 02839 149.332 103.601 158.350 1.00737.35 O ATOM 59811 C5* G 02839 149.004 104.699 159.201 1.00737.35 C ATOM 59812 C4* G 02839 150.005 104.810 160.329 1.00737.35 C ATOM 59813 O4* G 02839 149.896 103.650 161.194 1.00737.35 O ATOM 59814 C3* G 02839 151.469 104.836 159.917 1.00737.35 C ATOM 59815 O3* G 02839 151.875 106.150 159.550 1.00737.35 O ATOM 59816 C2* G 02839 152.169 104.357 161.185 1.00737.35 C ATOM 59817 O2* G 02839 152.343 105.382 162.145 1.00737.35 O ATOM 59818 C1* G 02839 151.175 103.319 161.712 1.00737.35 C ATOM 59819 N9 G 02839 151.496 101.946 161.323 1.00737.35 N ATOM 59820 C8 G 02839 151.007 101.253 160.239 1.00737.35 C ATOM 59821 N7 G 02839 151.479 100.039 160.154 1.00737.35 N ATOM 59822 C5 G 02839 152.329 99.921 161.244 1.00737.35 C ATOM 59823 C6 G 02839 153.127 98.829 161.673 1.00737.35 C ATOM 59824 O6 G 02839 153.243 97.709 161.160 1.00737.35 O ATOM 59825 N1 G 02839 153.842 99.138 162.826 1.00737.35 N ATOM 59826 C2 G 02839 153.795 100.342 163.483 1.00737.35 C ATOM 59827 N2 G 02839 154.558 100.448 164.579 1.00737.35 N ATOM 59828 N3 G 02839 153.056 101.370 163.094 1.00737.35 N ATOM 59829 C4 G 02839 152.354 101.090 161.975 1.00737.35 C ATOM 59830 P U 02840 153.049 106.353 158.469 1.00737.35 P ATOM 59831 O1P U 02840 153.132 107.806 158.173 1.00737.35 O ATOM 59832 O2P U 02840 152.836 105.390 157.358 1.00737.35 O ATOM 59833 O5* U 02840 154.370 105.925 159.251 1.00737.35 O ATOM 59834 C5* U 02840 154.827 106.669 160.380 1.00737.35 C ATOM 59835 C4* U 02840 155.886 105.891 161.129 1.00737.35 C ATOM 59836 O4* U 02840 155.310 104.653 161.621 1.00737.35 O ATOM 59837 C3* U 02840 157.091 105.453 160.310 1.00737.35 C ATOM 59838 O3* U 02840 158.065 106.494 160.261 1.00737.35 O ATOM 59839 C2* U 02840 157.596 104.248 161.097 1.00737.35 C ATOM 59840 O2* U 02840 158.385 104.603 162.214 1.00737.35 O ATOM 59841 C1* U 02840 156.282 103.621 161.572 1.00737.35 C ATOM 59842 N1 U 02840 155.784 102.544 160.698 1.00737.35 N ATOM 59843 C2 U 02840 156.222 101.251 160.951 1.00737.35 C ATOM 59844 O2 U 02840 156.999 100.973 161.852 1.00737.35 O ATOM 59845 N3 U 02840 155.720 100.296 160.104 1.00737.35 N ATOM 59846 C4 U 02840 154.842 100.491 159.056 1.00737.35 C ATOM 59847 O4 U 02840 154.478 99.523 158.383 1.00737.35 O ATOM 59848 C5 U 02840 154.438 101.847 158.859 1.00737.35 C ATOM 59849 C6 U 02840 154.909 102.803 159.665 1.00737.35 C ATOM 59850 P U 02841 159.147 106.528 159.070 1.00737.35 P ATOM 59851 O1P U 02841 159.783 105.186 159.005 1.00737.35 O ATOM 59852 O2P U 02841 159.995 107.732 159.263 1.00737.35 O ATOM 59853 O5* U 02841 158.275 106.721 157.749 1.00737.35 O ATOM 59854 C5* U 02841 158.749 107.526 156.671 1.00737.35 C ATOM 59855 C4* U 02841 158.444 106.869 155.344 1.00737.35 C ATOM 59856 O4* U 02841 159.141 105.599 155.263 1.00737.35 O ATOM 59857 C3* U 02841 156.985 106.521 155.087 1.00737.35 C ATOM 59858 O3* U 02841 156.292 107.660 154.575 1.00737.35 O ATOM 59859 C2* U 02841 157.097 105.400 154.056 1.00737.35 C ATOM 59860 O2* U 02841 157.298 105.872 152.738 1.00737.35 O ATOM 59861 C1* U 02841 158.357 104.671 154.531 1.00737.35 C ATOM 59862 N1 U 02841 158.095 103.497 155.381 1.00737.35 N ATOM 59863 C2 U 02841 157.793 102.295 154.751 1.00737.35 C ATOM 59864 O2 U 02841 157.720 102.177 153.538 1.00737.35 O ATOM 59865 N3 U 02841 157.576 101.239 155.598 1.00737.35 N ATOM 59866 C4 U 02841 157.626 101.249 156.976 1.00737.35 C ATOM 59867 O4 U 02841 157.440 100.203 157.598 1.00737.35 O ATOM 59868 C5 U 02841 157.934 102.521 157.551 1.00737.35 C ATOM 59869 C6 U 02841 158.151 103.574 156.756 1.00737.35 C ATOM 59870 P C 02842 154.690 107.617 154.398 1.00737.35 P ATOM 59871 O1P C 02842 154.183 108.982 154.692 1.00737.35 O ATOM 59872 O2P C 02842 154.145 106.456 155.147 1.00737.35 O ATOM 59873 O5* C 02842 154.485 107.345 152.839 1.00737.35 O ATOM 59874 C5* C 02842 155.342 107.947 151.874 1.00737.35 C ATOM 59875 C4* C 02842 155.183 107.269 150.535 1.00737.35 C ATOM 59876 O4* C 02842 153.842 107.507 150.032 1.00737.35 O ATOM 59877 C3* C 02842 156.094 107.800 149.439 1.00737.35 C ATOM 59878 O3* C 02842 157.364 107.153 149.497 1.00737.35 O ATOM 59879 C2* C 02842 155.325 107.438 148.174 1.00737.35 C ATOM 59880 O2* C 02842 155.491 106.089 147.788 1.00737.35 O ATOM 59881 C1* C 02842 153.880 107.672 148.622 1.00737.35 C ATOM 59882 N1 C 02842 153.368 109.018 148.289 1.00737.35 N ATOM 59883 C2 C 02842 152.771 109.226 147.031 1.00737.35 C ATOM 59884 O2 C 02842 152.692 108.277 146.233 1.00737.35 O ATOM 59885 N3 C 02842 152.303 110.456 146.720 1.00737.35 N ATOM 59886 C4 C 02842 152.407 111.455 147.601 1.00737.35 C ATOM 59887 N4 C 02842 151.929 112.650 147.250 1.00737.35 N ATOM 59888 C5 C 02842 153.004 111.272 148.882 1.00737.35 C ATOM 59889 C6 C 02842 153.466 110.051 149.182 1.00737.35 C ATOM 59890 P A 02843 158.706 108.034 149.612 1.00737.35 P ATOM 59891 O1P A 02843 158.350 109.348 150.206 1.00737.35 O ATOM 59892 O2P A 02843 159.398 107.987 148.298 1.00737.35 O ATOM 59893 O5* A 02843 159.584 107.246 150.685 1.00737.35 O ATOM 59894 C5* A 02843 160.611 106.339 150.285 1.00737.35 C ATOM 59895 C4* A 02843 160.663 105.159 151.227 1.00737.35 C ATOM 59896 O4* A 02843 159.388 104.463 151.186 1.00737.35 O ATOM 59897 C3* A 02843 161.689 104.091 150.879 1.00737.35 C ATOM 59898 O3* A 02843 162.964 104.414 151.427 1.00737.35 O ATOM 59899 C2* A 02843 161.097 102.848 151.532 1.00737.35 C ATOM 59900 O2* A 02843 161.360 102.766 152.919 1.00737.35 O ATOM 59901 C1* A 02843 159.600 103.065 151.302 1.00737.35 C ATOM 59902 N9 A 02843 159.091 102.415 150.091 1.00737.35 N ATOM 59903 C8 A 02843 158.720 103.003 148.904 1.00737.35 C ATOM 59904 N7 A 02843 158.299 102.152 147.999 1.00737.35 N ATOM 59905 C5 A 02843 158.402 100.919 148.631 1.00737.35 C ATOM 59906 C6 A 02843 158.110 99.612 148.204 1.00737.35 C ATOM 59907 N6 A 02843 157.634 99.318 146.992 1.00737.35 N ATOM 59908 N1 A 02843 158.324 98.603 149.076 1.00737.35 N ATOM 59909 C2 A 02843 158.801 98.900 150.292 1.00737.35 C ATOM 59910 N3 A 02843 159.112 100.085 150.811 1.00737.35 N ATOM 59911 C4 A 02843 158.887 101.066 149.918 1.00737.35 C ATOM 59912 P G 02844 164.301 103.910 150.690 1.00737.35 P ATOM 59913 O1P G 02844 165.453 104.339 151.524 1.00737.35 O ATOM 59914 O2P G 02844 164.233 104.323 149.264 1.00737.35 O ATOM 59915 O5* G 02844 164.205 102.319 150.752 1.00737.35 O ATOM 59916 C5* G 02844 164.288 101.623 151.995 1.00737.35 C ATOM 59917 C4* G 02844 163.974 100.156 151.797 1.00737.35 C ATOM 59918 O4* G 02844 162.606 100.022 151.326 1.00737.35 O ATOM 59919 C3* G 02844 164.810 99.446 150.743 1.00737.35 C ATOM 59920 O3* G 02844 166.039 98.976 151.291 1.00737.35 O ATOM 59921 C2* G 02844 163.898 98.302 150.321 1.00737.35 C ATOM 59922 O2* G 02844 163.920 97.210 151.220 1.00737.35 O ATOM 59923 C1* G 02844 162.528 98.983 150.363 1.00737.35 C ATOM 59924 N9 G 02844 162.143 99.572 149.083 1.00737.35 N ATOM 59925 C8 G 02844 162.323 100.875 148.680 1.00737.35 C ATOM 59926 N7 G 02844 161.880 101.106 147.475 1.00737.35 N ATOM 59927 C5 G 02844 161.376 99.884 147.054 1.00737.35 C ATOM 59928 C6 G 02844 160.766 99.518 145.826 1.00737.35 C ATOM 59929 O6 G 02844 160.545 100.225 144.838 1.00737.35 O ATOM 59930 N1 G 02844 160.402 98.175 145.819 1.00737.35 N ATOM 59931 C2 G 02844 160.601 97.297 146.853 1.00737.35 C ATOM 59932 N2 G 02844 160.179 96.038 146.652 1.00737.35 N ATOM 59933 N3 G 02844 161.170 97.623 148.002 1.00737.35 N ATOM 59934 C4 G 02844 161.530 98.925 148.033 1.00737.35 C ATOM 59935 P C 02845 167.375 99.016 150.399 1.00737.35 P ATOM 59936 O1P C 02845 168.458 98.379 151.194 1.00737.35 O ATOM 59937 O2P C 02845 167.559 100.400 149.891 1.00737.35 O ATOM 59938 O5* C 02845 167.043 98.075 149.157 1.00737.35 O ATOM 59939 C5* C 02845 166.913 96.664 149.319 1.00737.35 C ATOM 59940 C4* C 02845 166.490 96.019 148.018 1.00737.35 C ATOM 59941 O4* C 02845 165.166 96.494 147.656 1.00737.35 O ATOM 59942 C3* C 02845 167.348 96.343 146.807 1.00737.35 C ATOM 59943 O3* C 02845 168.495 95.500 146.744 1.00737.35 O ATOM 59944 C2* C 02845 166.385 96.090 145.653 1.00737.35 C ATOM 59945 O2* C 02845 166.266 94.722 145.318 1.00737.35 O ATOM 59946 C1* C 02845 165.066 96.596 146.242 1.00737.35 C ATOM 59947 N1 C 02845 164.759 97.996 145.886 1.00737.35 N ATOM 59948 C2 C 02845 164.014 98.254 144.724 1.00737.35 C ATOM 59949 O2 C 02845 163.625 97.301 144.028 1.00737.35 O ATOM 59950 N3 C 02845 163.737 99.536 144.388 1.00737.35 N ATOM 59951 C4 C 02845 164.168 100.536 145.159 1.00737.35 C ATOM 59952 N4 C 02845 163.867 101.783 144.786 1.00737.35 N ATOM 59953 C5 C 02845 164.927 100.307 146.343 1.00737.35 C ATOM 59954 C6 C 02845 165.196 99.034 146.665 1.00737.35 C ATOM 59955 P G 02846 169.804 95.993 145.951 1.00737.35 P ATOM 59956 O1P G 02846 170.856 94.961 146.143 1.00737.35 O ATOM 59957 O2P G 02846 170.086 97.402 146.325 1.00737.35 O ATOM 59958 O5* G 02846 169.355 95.965 144.422 1.00737.35 O ATOM 59959 C5* G 02846 169.049 94.735 143.771 1.00737.35 C ATOM 59960 C4* G 02846 168.495 94.994 142.390 1.00737.35 C ATOM 59961 O4* G 02846 167.231 95.697 142.500 1.00737.35 O ATOM 59962 C3* G 02846 169.343 95.882 141.494 1.00737.35 C ATOM 59963 O3* G 02846 170.351 95.120 140.836 1.00737.35 O ATOM 59964 C2* G 02846 168.314 96.420 140.506 1.00737.35 C ATOM 59965 O2* G 02846 168.025 95.518 139.456 1.00737.35 O ATOM 59966 C1* G 02846 167.083 96.583 141.401 1.00737.35 C ATOM 59967 N9 G 02846 166.893 97.939 141.908 1.00737.35 N ATOM 59968 C8 G 02846 167.187 98.408 143.168 1.00737.35 C ATOM 59969 N7 G 02846 166.895 99.670 143.327 1.00737.35 N ATOM 59970 C5 G 02846 166.379 100.062 142.098 1.00737.35 C ATOM 59971 C6 G 02846 165.888 101.323 141.664 1.00737.35 C ATOM 59972 O6 G 02846 165.806 102.380 142.303 1.00737.35 O ATOM 59973 N1 G 02846 165.465 101.277 140.340 1.00737.35 N ATOM 59974 C2 G 02846 165.505 100.166 139.534 1.00737.35 C ATOM 59975 N2 G 02846 165.052 100.327 138.283 1.00737.35 N ATOM 59976 N3 G 02846 165.956 98.988 139.927 1.00737.35 N ATOM 59977 C4 G 02846 166.373 99.006 141.211 1.00737.35 C ATOM 59978 P G 02847 171.636 95.860 140.212 1.00737.35 P ATOM 59979 O1P G 02847 172.712 95.872 141.238 1.00737.35 O ATOM 59980 O2P G 02847 171.183 97.144 139.613 1.00737.35 O ATOM 59981 O5* G 02847 172.092 94.903 139.023 1.00737.35 O ATOM 59982 C5* G 02847 171.147 94.076 138.345 1.00737.35 C ATOM 59983 C4* G 02847 171.447 94.043 136.865 1.00737.35 C ATOM 59984 O4* G 02847 170.530 93.126 136.214 1.00737.35 O ATOM 59985 C3* G 02847 171.257 95.364 136.137 1.00737.35 C ATOM 59986 O3* G 02847 172.443 96.152 136.229 1.00737.35 O ATOM 59987 C2* G 02847 170.977 94.914 134.709 1.00737.35 C ATOM 59988 O2* G 02847 172.150 94.617 133.979 1.00737.35 O ATOM 59989 C1* G 02847 170.170 93.633 134.939 1.00737.35 C ATOM 59990 N9 G 02847 168.722 93.816 134.918 1.00737.35 N ATOM 59991 C8 G 02847 167.965 94.544 135.805 1.00737.35 C ATOM 59992 N7 G 02847 166.689 94.527 135.526 1.00737.35 N ATOM 59993 C5 G 02847 166.596 93.739 134.387 1.00737.35 C ATOM 59994 C6 G 02847 165.461 93.361 133.622 1.00737.35 C ATOM 59995 O6 G 02847 164.276 93.656 133.806 1.00737.35 O ATOM 59996 N1 G 02847 165.818 92.555 132.546 1.00737.35 N ATOM 59997 C2 G 02847 167.097 92.161 132.243 1.00737.35 C ATOM 59998 N2 G 02847 167.235 91.383 131.160 1.00737.35 N ATOM 59999 N3 G 02847 168.163 92.506 132.947 1.00737.35 N ATOM 60000 C4 G 02847 167.842 93.291 133.999 1.00737.35 C ATOM 60001 P A 02848 172.352 97.757 136.189 1.00737.35 P ATOM 60002 O1P A 02848 173.390 98.294 137.102 1.00737.35 O ATOM 60003 O2P A 02848 170.933 98.155 136.379 1.00737.35 O ATOM 60004 O5* A 02848 172.759 98.130 134.694 1.00737.35 O ATOM 60005 C5* A 02848 174.072 97.868 134.198 1.00737.35 C ATOM 60006 C4* A 02848 174.048 97.779 132.691 1.00737.35 C ATOM 60007 O4* A 02848 173.231 96.649 132.295 1.00737.35 O ATOM 60008 C3* A 02848 173.420 98.980 132.000 1.00737.35 C ATOM 60009 O3* A 02848 174.406 99.972 131.748 1.00737.35 O ATOM 60010 C2* A 02848 172.884 98.385 130.704 1.00737.35 C ATOM 60011 O2* A 02848 173.863 98.292 129.690 1.00737.35 O ATOM 60012 C1* A 02848 172.456 96.988 131.161 1.00737.35 C ATOM 60013 N9 A 02848 171.045 96.884 131.535 1.00737.35 N ATOM 60014 C8 A 02848 170.355 97.632 132.460 1.00737.35 C ATOM 60015 N7 A 02848 169.095 97.293 132.579 1.00737.35 N ATOM 60016 C5 A 02848 168.942 96.255 131.670 1.00737.35 C ATOM 60017 C6 A 02848 167.836 95.462 131.313 1.00737.35 C ATOM 60018 N6 A 02848 166.620 95.602 131.849 1.00737.35 N ATOM 60019 N1 A 02848 168.023 94.510 130.376 1.00737.35 N ATOM 60020 C2 A 02848 169.240 94.369 129.836 1.00737.35 C ATOM 60021 N3 A 02848 170.352 95.053 130.083 1.00737.35 N ATOM 60022 C4 A 02848 170.134 95.993 131.020 1.00737.35 C ATOM 60023 P C 02849 174.335 101.383 132.516 1.00737.35 P ATOM 60024 O1P C 02849 175.222 102.341 131.804 1.00737.35 O ATOM 60025 O2P C 02849 174.560 101.114 133.960 1.00737.35 O ATOM 60026 O5* C 02849 172.825 101.860 132.329 1.00737.35 O ATOM 60027 C5* C 02849 172.203 101.853 131.045 1.00737.35 C ATOM 60028 C4* C 02849 171.295 103.054 130.906 1.00737.35 C ATOM 60029 O4* C 02849 170.253 102.987 131.918 1.00737.35 O ATOM 60030 C3* C 02849 171.985 104.387 131.147 1.00737.35 C ATOM 60031 O3* C 02849 172.581 104.860 129.940 1.00737.35 O ATOM 60032 C2* C 02849 170.838 105.269 131.631 1.00737.35 C ATOM 60033 O2* C 02849 170.033 105.765 130.579 1.00737.35 O ATOM 60034 C1* C 02849 170.034 104.275 132.472 1.00737.35 C ATOM 60035 N1 C 02849 170.405 104.234 133.904 1.00737.35 N ATOM 60036 C2 C 02849 170.043 105.308 134.738 1.00737.35 C ATOM 60037 O2 C 02849 169.440 106.283 134.252 1.00737.35 O ATOM 60038 N3 C 02849 170.363 105.256 136.051 1.00737.35 N ATOM 60039 C4 C 02849 171.017 104.199 136.540 1.00737.35 C ATOM 60040 N4 C 02849 171.304 104.195 137.842 1.00737.35 N ATOM 60041 C5 C 02849 171.403 103.105 135.718 1.00737.35 C ATOM 60042 C6 C 02849 171.080 103.165 134.420 1.00737.35 C ATOM 60043 P U 02850 173.953 105.696 130.000 1.00737.35 P ATOM 60044 O1P U 02850 174.466 105.843 128.615 1.00737.35 O ATOM 60045 O2P U 02850 174.817 105.081 131.040 1.00737.35 O ATOM 60046 O5* U 02850 173.501 107.131 130.525 1.00737.35 O ATOM 60047 C5* U 02850 172.554 107.912 129.799 1.00737.35 C ATOM 60048 C4* U 02850 172.131 109.105 130.619 1.00737.35 C ATOM 60049 O4* U 02850 171.446 108.642 131.815 1.00737.35 O ATOM 60050 C3* U 02850 173.272 109.961 131.143 1.00737.35 C ATOM 60051 O3* U 02850 173.687 110.916 130.171 1.00737.35 O ATOM 60052 C2* U 02850 172.657 110.613 132.375 1.00737.35 C ATOM 60053 O2* U 02850 171.852 111.733 132.066 1.00737.35 O ATOM 60054 C1* U 02850 171.779 109.479 132.912 1.00737.35 C ATOM 60055 N1 U 02850 172.421 108.658 133.956 1.00737.35 N ATOM 60056 C2 U 02850 172.373 109.115 135.267 1.00737.35 C ATOM 60057 O2 U 02850 171.838 110.167 135.587 1.00737.35 O ATOM 60058 N3 U 02850 172.978 108.296 136.189 1.00737.35 N ATOM 60059 C4 U 02850 173.614 107.094 135.942 1.00737.35 C ATOM 60060 O4 U 02850 174.107 106.466 136.880 1.00737.35 O ATOM 60061 C5 U 02850 173.630 106.695 134.570 1.00737.35 C ATOM 60062 C6 U 02850 173.048 107.470 133.648 1.00737.35 C ATOM 60063 P G 02851 175.230 111.365 130.105 1.00737.35 P ATOM 60064 O1P G 02851 175.388 112.331 128.986 1.00737.35 O ATOM 60065 O2P G 02851 176.057 110.129 130.131 1.00737.35 O ATOM 60066 O5* G 02851 175.452 112.152 131.475 1.00737.35 O ATOM 60067 C5* G 02851 176.742 112.228 132.079 1.00737.35 C ATOM 60068 C4* G 02851 176.641 112.877 133.439 1.00737.35 C ATOM 60069 O4* G 02851 175.632 112.189 134.225 1.00737.35 O ATOM 60070 C3* G 02851 177.900 112.808 134.287 1.00737.35 C ATOM 60071 O3* G 02851 178.795 113.872 133.974 1.00737.35 O ATOM 60072 C2* G 02851 177.347 112.922 135.700 1.00737.35 C ATOM 60073 O2* G 02851 177.057 114.253 136.082 1.00737.35 O ATOM 60074 C1* G 02851 176.047 112.121 135.580 1.00737.35 C ATOM 60075 N9 G 02851 176.193 110.716 135.951 1.00737.35 N ATOM 60076 C8 G 02851 176.315 109.639 135.102 1.00737.35 C ATOM 60077 N7 G 02851 176.428 108.502 135.732 1.00737.35 N ATOM 60078 C5 G 02851 176.378 108.845 137.075 1.00737.35 C ATOM 60079 C6 G 02851 176.450 108.029 138.235 1.00737.35 C ATOM 60080 O6 G 02851 176.572 106.800 138.307 1.00737.35 O ATOM 60081 N1 G 02851 176.364 108.789 139.398 1.00737.35 N ATOM 60082 C2 G 02851 176.226 110.154 139.442 1.00737.35 C ATOM 60083 N2 G 02851 176.163 110.704 140.665 1.00737.35 N ATOM 60084 N3 G 02851 176.153 110.923 138.370 1.00737.35 N ATOM 60085 C4 G 02851 176.236 110.208 137.229 1.00737.35 C ATOM 60086 P G 02852 180.372 113.689 134.233 1.00737.35 P ATOM 60087 O1P G 02852 181.047 114.905 133.714 1.00737.35 O ATOM 60088 O2P G 02852 180.781 112.353 133.729 1.00737.35 O ATOM 60089 O5* G 02852 180.503 113.685 135.821 1.00737.35 O ATOM 60090 C5* G 02852 180.149 114.832 136.591 1.00737.35 C ATOM 60091 C4* G 02852 180.105 114.489 138.063 1.00737.35 C ATOM 60092 O4* G 02852 179.086 113.478 138.289 1.00737.35 O ATOM 60093 C3* G 02852 181.370 113.875 138.641 1.00737.35 C ATOM 60094 O3* G 02852 182.310 114.879 139.010 1.00737.35 O ATOM 60095 C2* G 02852 180.837 113.129 139.860 1.00737.35 C ATOM 60096 O2* G 02852 180.624 113.967 140.978 1.00737.35 O ATOM 60097 C1* G 02852 179.495 112.612 139.335 1.00737.35 C ATOM 60098 N9 G 02852 179.560 111.247 138.818 1.00737.35 N ATOM 60099 C8 G 02852 179.548 110.852 137.501 1.00737.35 C ATOM 60100 N7 G 02852 179.612 109.557 137.354 1.00737.35 N ATOM 60101 C5 G 02852 179.674 109.064 138.651 1.00737.35 C ATOM 60102 C6 G 02852 179.755 107.729 139.125 1.00737.35 C ATOM 60103 O6 G 02852 179.783 106.678 138.474 1.00737.35 O ATOM 60104 N1 G 02852 179.803 107.683 140.517 1.00737.35 N ATOM 60105 C2 G 02852 179.773 108.779 141.345 1.00737.35 C ATOM 60106 N2 G 02852 179.832 108.527 142.662 1.00737.35 N ATOM 60107 N3 G 02852 179.694 110.026 140.915 1.00737.35 N ATOM 60108 C4 G 02852 179.648 110.095 139.566 1.00737.35 C ATOM 60109 P U 02853 183.886 114.562 138.931 1.00737.35 P ATOM 60110 O1P U 02853 184.605 115.743 139.475 1.00737.35 O ATOM 60111 O2P U 02853 184.196 114.085 137.559 1.00737.35 O ATOM 60112 O5* U 02853 184.088 113.344 139.939 1.00737.35 O ATOM 60113 C5* U 02853 183.788 113.479 141.327 1.00737.35 C ATOM 60114 C4* U 02853 183.780 112.121 141.997 1.00737.35 C ATOM 60115 O4* U 02853 182.735 111.301 141.412 1.00737.35 O ATOM 60116 C3* U 02853 185.049 111.301 141.828 1.00737.35 C ATOM 60117 O3* U 02853 186.012 111.654 142.815 1.00737.35 O ATOM 60118 C2* U 02853 184.540 109.875 142.021 1.00737.35 C ATOM 60119 O2* U 02853 184.393 109.516 143.381 1.00737.35 O ATOM 60120 C1* U 02853 183.163 109.949 141.356 1.00737.35 C ATOM 60121 N1 U 02853 183.154 109.506 139.952 1.00737.35 N ATOM 60122 C2 U 02853 183.093 108.142 139.701 1.00737.35 C ATOM 60123 O2 U 02853 183.053 107.300 140.586 1.00737.35 O ATOM 60124 N3 U 02853 183.086 107.797 138.371 1.00737.35 N ATOM 60125 C4 U 02853 183.129 108.651 137.289 1.00737.35 C ATOM 60126 O4 U 02853 183.116 108.185 136.149 1.00737.35 O ATOM 60127 C5 U 02853 183.191 110.040 137.627 1.00737.35 C ATOM 60128 C6 U 02853 183.199 110.411 138.911 1.00737.35 C ATOM 60129 P G 02854 187.574 111.663 142.439 1.00737.35 P ATOM 60130 O1P G 02854 188.325 111.893 143.700 1.00737.35 O ATOM 60131 O2P G 02854 187.772 112.582 141.291 1.00737.35 O ATOM 60132 O5* G 02854 187.862 110.175 141.944 1.00737.35 O ATOM 60133 C5* G 02854 189.169 109.617 142.031 1.00737.35 C ATOM 60134 C4* G 02854 189.399 108.636 140.906 1.00737.35 C ATOM 60135 O4* G 02854 189.210 109.311 139.634 1.00737.35 O ATOM 60136 C3* G 02854 190.807 108.067 140.837 1.00737.35 C ATOM 60137 O3* G 02854 190.917 106.918 141.674 1.00737.35 O ATOM 60138 C2* G 02854 190.940 107.690 139.365 1.00737.35 C ATOM 60139 O2* G 02854 190.378 106.429 139.061 1.00737.35 O ATOM 60140 C1* G 02854 190.120 108.792 138.683 1.00737.35 C ATOM 60141 N9 G 02854 190.891 109.900 138.125 1.00737.35 N ATOM 60142 C8 G 02854 190.889 110.315 136.813 1.00737.35 C ATOM 60143 N7 G 02854 191.673 111.334 136.595 1.00737.35 N ATOM 60144 C5 G 02854 192.230 111.611 137.837 1.00737.35 C ATOM 60145 C6 G 02854 193.158 112.615 138.221 1.00737.35 C ATOM 60146 O6 G 02854 193.690 113.485 137.521 1.00737.35 O ATOM 60147 N1 G 02854 193.455 112.541 139.578 1.00737.35 N ATOM 60148 C2 G 02854 192.928 111.622 140.452 1.00737.35 C ATOM 60149 N2 G 02854 193.339 111.715 141.727 1.00737.35 N ATOM 60150 N3 G 02854 192.065 110.685 140.106 1.00737.35 N ATOM 60151 C4 G 02854 191.762 110.735 138.792 1.00737.35 C ATOM 60152 P C 02855 191.614 107.036 143.120 1.00737.35 P ATOM 60153 O1P C 02855 191.786 108.475 143.450 1.00737.35 O ATOM 60154 O2P C 02855 192.797 106.137 143.132 1.00737.35 O ATOM 60155 O5* C 02855 190.513 106.436 144.102 1.00737.35 O ATOM 60156 C5* C 02855 190.848 105.968 145.407 1.00737.35 C ATOM 60157 C4* C 02855 190.132 104.668 145.690 1.00737.35 C ATOM 60158 O4* C 02855 188.699 104.879 145.562 1.00737.35 O ATOM 60159 C3* C 02855 190.450 103.542 144.716 1.00737.35 C ATOM 60160 O3* C 02855 191.597 102.817 145.148 1.00737.35 O ATOM 60161 C2* C 02855 189.183 102.696 144.764 1.00737.35 C ATOM 60162 O2* C 02855 189.133 101.831 145.884 1.00737.35 O ATOM 60163 C1* C 02855 188.106 103.775 144.895 1.00737.35 C ATOM 60164 N1 C 02855 187.558 104.246 143.603 1.00737.35 N ATOM 60165 C2 C 02855 186.651 103.429 142.902 1.00737.35 C ATOM 60166 O2 C 02855 186.335 102.322 143.372 1.00737.35 O ATOM 60167 N3 C 02855 186.144 103.868 141.726 1.00737.35 N ATOM 60168 C4 C 02855 186.506 105.060 141.244 1.00737.35 C ATOM 60169 N4 C 02855 185.978 105.455 140.085 1.00737.35 N ATOM 60170 C5 C 02855 187.426 105.903 141.930 1.00737.35 C ATOM 60171 C6 C 02855 187.922 105.462 143.092 1.00737.35 C ATOM 60172 P U 02856 192.618 102.215 144.061 1.00737.35 P ATOM 60173 O1P U 02856 193.762 101.635 144.810 1.00737.35 O ATOM 60174 O2P U 02856 192.869 103.246 143.024 1.00737.35 O ATOM 60175 O5* U 02856 191.804 101.021 143.388 1.00737.35 O ATOM 60176 C5* U 02856 191.600 99.787 144.073 1.00737.35 C ATOM 60177 C4* U 02856 190.877 98.806 143.178 1.00737.35 C ATOM 60178 O4* U 02856 189.544 99.310 142.895 1.00737.35 O ATOM 60179 C3* U 02856 191.505 98.589 141.810 1.00737.35 C ATOM 60180 O3* U 02856 192.527 97.598 141.866 1.00737.35 O ATOM 60181 C2* U 02856 190.315 98.145 140.972 1.00737.35 C ATOM 60182 O2* U 02856 189.991 96.778 141.141 1.00737.35 O ATOM 60183 C1* U 02856 189.199 99.019 141.548 1.00737.35 C ATOM 60184 N1 U 02856 189.014 100.293 140.830 1.00737.35 N ATOM 60185 C2 U 02856 188.236 100.285 139.681 1.00737.35 C ATOM 60186 O2 U 02856 187.704 99.275 139.242 1.00737.35 O ATOM 60187 N3 U 02856 188.103 101.505 139.065 1.00737.35 N ATOM 60188 C4 U 02856 188.655 102.706 139.465 1.00737.35 C ATOM 60189 O4 U 02856 188.439 103.723 138.808 1.00737.35 O ATOM 60190 C5 U 02856 189.443 102.630 140.656 1.00737.35 C ATOM 60191 C6 U 02856 189.592 101.460 141.280 1.00737.35 C ATOM 60192 P C 02857 193.765 97.669 140.841 1.00737.35 P ATOM 60193 O1P C 02857 194.738 96.625 141.252 1.00737.35 O ATOM 60194 O2P C 02857 194.210 99.082 140.733 1.00737.35 O ATOM 60195 O5* C 02857 193.129 97.241 139.444 1.00737.35 O ATOM 60196 C5* C 02857 192.765 95.885 139.187 1.00737.35 C ATOM 60197 C4* C 02857 192.221 95.740 137.784 1.00737.35 C ATOM 60198 O4* C 02857 190.979 96.484 137.667 1.00737.35 O ATOM 60199 C3* C 02857 193.094 96.295 136.672 1.00737.35 C ATOM 60200 O3* C 02857 194.094 95.358 136.280 1.00737.35 O ATOM 60201 C2* C 02857 192.080 96.540 135.559 1.00737.35 C ATOM 60202 O2* C 02857 191.754 95.370 134.836 1.00737.35 O ATOM 60203 C1* C 02857 190.863 97.018 136.356 1.00737.35 C ATOM 60204 N1 C 02857 190.760 98.489 136.450 1.00737.35 N ATOM 60205 C2 C 02857 190.092 99.187 135.426 1.00737.35 C ATOM 60206 O2 C 02857 189.604 98.553 134.477 1.00737.35 O ATOM 60207 N3 C 02857 189.998 100.535 135.506 1.00737.35 N ATOM 60208 C4 C 02857 190.534 101.185 136.541 1.00737.35 C ATOM 60209 N4 C 02857 190.417 102.515 136.573 1.00737.35 N ATOM 60210 C5 C 02857 191.216 100.501 137.589 1.00737.35 C ATOM 60211 C6 C 02857 191.304 99.169 137.504 1.00737.35 C ATOM 60212 P A 02858 195.493 95.887 135.692 1.00737.35 P ATOM 60213 O1P A 02858 196.255 94.698 135.232 1.00737.35 O ATOM 60214 O2P A 02858 196.102 96.812 136.681 1.00737.35 O ATOM 60215 O5* A 02858 195.071 96.730 134.407 1.00737.35 O ATOM 60216 C5* A 02858 196.029 97.503 133.689 1.00737.35 C ATOM 60217 C4* A 02858 195.467 97.912 132.347 1.00737.35 C ATOM 60218 O4* A 02858 194.232 98.647 132.546 1.00737.35 O ATOM 60219 C3* A 02858 196.335 98.855 131.532 1.00737.35 C ATOM 60220 O3* A 02858 197.315 98.134 130.789 1.00737.35 O ATOM 60221 C2* A 02858 195.316 99.524 130.618 1.00737.35 C ATOM 60222 O2* A 02858 194.980 98.734 129.494 1.00737.35 O ATOM 60223 C1* A 02858 194.103 99.643 131.545 1.00737.35 C ATOM 60224 N9 A 02858 193.996 100.951 132.198 1.00737.35 N ATOM 60225 C8 A 02858 194.621 101.384 133.344 1.00737.35 C ATOM 60226 N7 A 02858 194.324 102.616 133.673 1.00737.35 N ATOM 60227 C5 A 02858 193.442 103.025 132.681 1.00737.35 C ATOM 60228 C6 A 02858 192.764 104.236 132.458 1.00737.35 C ATOM 60229 N6 A 02858 192.870 105.300 133.254 1.00737.35 N ATOM 60230 N1 A 02858 191.960 104.314 131.374 1.00737.35 N ATOM 60231 C2 A 02858 191.854 103.245 130.577 1.00737.35 C ATOM 60232 N3 A 02858 192.442 102.055 130.679 1.00737.35 N ATOM 60233 C4 A 02858 193.233 102.007 131.766 1.00737.35 C ATOM 60234 P U 02859 198.774 98.768 130.562 1.00737.35 P ATOM 60235 O1P U 02859 198.617 100.161 130.069 1.00737.35 O ATOM 60236 O2P U 02859 199.549 97.791 129.754 1.00737.35 O ATOM 60237 O5* U 02859 199.418 98.812 132.018 1.00737.35 O ATOM 60238 C5* U 02859 199.067 99.834 132.951 1.00737.35 C ATOM 60239 C4* U 02859 200.090 99.904 134.060 1.00737.35 C ATOM 60240 O4* U 02859 200.089 98.653 134.792 1.00737.35 O ATOM 60241 C3* U 02859 201.532 100.078 133.609 1.00737.35 C ATOM 60242 O3* U 02859 201.837 101.453 133.392 1.00737.35 O ATOM 60243 C2* U 02859 202.309 99.504 134.787 1.00737.35 C ATOM 60244 O2* U 02859 202.451 100.418 135.859 1.00737.35 O ATOM 60245 C1* U 02859 201.409 98.342 135.214 1.00737.35 C ATOM 60246 N1 U 02859 201.799 97.044 134.639 1.00737.35 N ATOM 60247 C2 U 02859 202.750 96.294 135.316 1.00737.35 C ATOM 60248 O2 U 02859 203.273 96.661 136.358 1.00737.35 O ATOM 60249 N3 U 02859 203.069 95.095 134.730 1.00737.35 N ATOM 60250 C4 U 02859 202.548 94.577 133.561 1.00737.35 C ATOM 60251 O4 U 02859 202.938 93.478 133.161 1.00737.35 O ATOM 60252 C5 U 02859 201.576 95.406 132.921 1.00737.35 C ATOM 60253 C6 U 02859 201.242 96.581 133.466 1.00737.35 C ATOM 60254 P C 02860 202.610 101.899 132.054 1.00737.35 P ATOM 60255 O1P C 02860 203.001 103.325 132.199 1.00737.35 O ATOM 60256 O2P C 02860 201.775 101.484 130.899 1.00737.35 O ATOM 60257 O5* C 02860 203.934 101.013 132.052 1.00737.35 O ATOM 60258 C5* C 02860 204.875 101.099 133.119 1.00737.35 C ATOM 60259 C4* C 02860 205.781 99.887 133.116 1.00737.35 C ATOM 60260 O4* C 02860 204.979 98.692 133.302 1.00737.35 O ATOM 60261 C3* C 02860 206.541 99.632 131.823 1.00737.35 C ATOM 60262 O3* C 02860 207.745 100.391 131.773 1.00737.35 O ATOM 60263 C2* C 02860 206.819 98.135 131.907 1.00737.35 C ATOM 60264 O2* C 02860 207.922 97.818 132.735 1.00737.35 O ATOM 60265 C1* C 02860 205.527 97.622 132.545 1.00737.35 C ATOM 60266 N1 C 02860 204.524 97.173 131.557 1.00737.35 N ATOM 60267 C2 C 02860 204.583 95.852 131.080 1.00737.35 C ATOM 60268 O2 C 02860 205.473 95.095 131.503 1.00737.35 O ATOM 60269 N3 C 02860 203.673 95.437 130.171 1.00737.35 N ATOM 60270 C4 C 02860 202.730 96.278 129.735 1.00737.35 C ATOM 60271 N4 C 02860 201.853 95.825 128.838 1.00737.35 N ATOM 60272 C5 C 02860 202.646 97.623 130.202 1.00737.35 C ATOM 60273 C6 C 02860 203.552 98.024 131.103 1.00737.35 C ATOM 60274 P A 02861 208.299 100.920 130.359 1.00737.35 P ATOM 60275 O1P A 02861 209.603 101.591 130.595 1.00737.35 O ATOM 60276 O2P A 02861 207.200 101.668 129.695 1.00737.35 O ATOM 60277 O5* A 02861 208.566 99.589 129.521 1.00737.35 O ATOM 60278 C5* A 02861 209.461 98.589 130.004 1.00737.35 C ATOM 60279 C4* A 02861 209.280 97.303 129.230 1.00737.35 C ATOM 60280 O4* A 02861 207.906 96.850 129.372 1.00737.35 O ATOM 60281 C3* A 02861 209.492 97.391 127.726 1.00737.35 C ATOM 60282 O3* A 02861 210.874 97.273 127.401 1.00737.35 O ATOM 60283 C2* A 02861 208.681 96.205 127.220 1.00737.35 C ATOM 60284 O2* A 02861 209.360 94.971 127.353 1.00737.35 O ATOM 60285 C1* A 02861 207.479 96.231 128.167 1.00737.35 C ATOM 60286 N9 A 02861 206.339 96.983 127.634 1.00737.35 N ATOM 60287 C8 A 02861 205.990 98.289 127.888 1.00737.35 C ATOM 60288 N7 A 02861 204.910 98.681 127.255 1.00737.35 N ATOM 60289 C5 A 02861 204.520 97.559 126.538 1.00737.35 C ATOM 60290 C6 A 02861 203.443 97.323 125.665 1.00737.35 C ATOM 60291 N6 A 02861 202.524 98.242 125.355 1.00737.35 N ATOM 60292 N1 A 02861 203.338 96.093 125.112 1.00737.35 N ATOM 60293 C2 A 02861 204.256 95.173 125.425 1.00737.35 C ATOM 60294 N3 A 02861 205.313 95.273 126.230 1.00737.35 N ATOM 60295 C4 A 02861 205.390 96.506 126.762 1.00737.35 C ATOM 60296 P G 02862 211.415 97.830 125.992 1.00737.35 P ATOM 60297 O1P G 02862 212.899 97.751 126.003 1.00737.35 O ATOM 60298 O2P G 02862 210.750 99.132 125.729 1.00737.35 O ATOM 60299 O5* G 02862 210.867 96.777 124.927 1.00737.35 O ATOM 60300 C5* G 02862 211.216 95.396 125.017 1.00737.35 C ATOM 60301 C4* G 02862 210.348 94.570 124.096 1.00737.35 C ATOM 60302 O4* G 02862 208.954 94.741 124.470 1.00737.35 O ATOM 60303 C3* G 02862 210.389 94.952 122.625 1.00737.35 C ATOM 60304 O3* G 02862 211.495 94.333 121.973 1.00737.35 O ATOM 60305 C2* G 02862 209.054 94.422 122.118 1.00737.35 C ATOM 60306 O2* G 02862 209.072 93.030 121.866 1.00737.35 O ATOM 60307 C1* G 02862 208.140 94.715 123.308 1.00737.35 C ATOM 60308 N9 G 02862 207.436 95.992 123.202 1.00737.35 N ATOM 60309 C8 G 02862 207.696 97.148 123.903 1.00737.35 C ATOM 60310 N7 G 02862 206.892 98.129 123.589 1.00737.35 N ATOM 60311 C5 G 02862 206.052 97.592 122.623 1.00737.35 C ATOM 60312 C6 G 02862 204.978 98.181 121.907 1.00737.35 C ATOM 60313 O6 G 02862 204.539 99.335 121.988 1.00737.35 O ATOM 60314 N1 G 02862 204.397 97.278 121.022 1.00737.35 N ATOM 60315 C2 G 02862 204.796 95.977 120.846 1.00737.35 C ATOM 60316 N2 G 02862 204.107 95.266 119.941 1.00737.35 N ATOM 60317 N3 G 02862 205.794 95.415 121.506 1.00737.35 N ATOM 60318 C4 G 02862 206.374 96.273 122.373 1.00737.35 C ATOM 60319 P U 02863 212.093 94.977 120.625 1.00737.35 P ATOM 60320 O1P U 02863 213.304 94.207 120.242 1.00737.35 O ATOM 60321 O2P U 02863 212.190 96.445 120.828 1.00737.35 O ATOM 60322 O5* U 02863 210.963 94.704 119.534 1.00737.35 O ATOM 60323 C5* U 02863 210.550 93.373 119.224 1.00737.35 C ATOM 60324 C4* U 02863 209.355 93.394 118.299 1.00737.35 C ATOM 60325 O4* U 02863 208.250 94.073 118.954 1.00737.35 O ATOM 60326 C3* U 02863 209.541 94.153 116.995 1.00737.35 C ATOM 60327 O3* U 02863 210.167 93.332 116.014 1.00737.35 O ATOM 60328 C2* U 02863 208.106 94.500 116.617 1.00737.35 C ATOM 60329 O2* U 02863 207.417 93.430 116.001 1.00737.35 O ATOM 60330 C1* U 02863 207.491 94.788 117.990 1.00737.35 C ATOM 60331 N1 U 02863 207.492 96.218 118.350 1.00737.35 N ATOM 60332 C2 U 02863 206.452 97.004 117.868 1.00737.35 C ATOM 60333 O2 U 02863 205.552 96.567 117.168 1.00737.35 O ATOM 60334 N3 U 02863 206.509 98.325 118.239 1.00737.35 N ATOM 60335 C4 U 02863 207.470 98.932 119.021 1.00737.35 C ATOM 60336 O4 U 02863 207.379 100.135 119.269 1.00737.35 O ATOM 60337 C5 U 02863 208.506 98.058 119.477 1.00737.35 C ATOM 60338 C6 U 02863 208.483 96.765 119.136 1.00737.35 C ATOM 60339 P C 02864 210.951 94.012 114.785 1.00737.35 P ATOM 60340 O1P C 02864 211.609 92.935 114.003 1.00737.35 O ATOM 60341 O2P C 02864 211.771 95.125 115.331 1.00737.35 O ATOM 60342 O5* C 02864 209.790 94.644 113.895 1.00737.35 O ATOM 60343 C5* C 02864 208.877 93.812 113.183 1.00737.35 C ATOM 60344 C4* C 02864 207.882 94.653 112.416 1.00737.35 C ATOM 60345 O4* C 02864 207.051 95.392 113.348 1.00737.35 O ATOM 60346 C3* C 02864 208.478 95.726 111.518 1.00737.35 C ATOM 60347 O3* C 02864 208.850 95.185 110.252 1.00737.35 O ATOM 60348 C2* C 02864 207.326 96.716 111.391 1.00737.35 C ATOM 60349 O2* C 02864 206.365 96.330 110.428 1.00737.35 O ATOM 60350 C1* C 02864 206.710 96.652 112.791 1.00737.35 C ATOM 60351 N1 C 02864 207.178 97.721 113.700 1.00737.35 N ATOM 60352 C2 C 02864 206.592 98.996 113.605 1.00737.35 C ATOM 60353 O2 C 02864 205.702 99.195 112.761 1.00737.35 O ATOM 60354 N3 C 02864 207.012 99.977 114.435 1.00737.35 N ATOM 60355 C4 C 02864 207.971 99.732 115.331 1.00737.35 C ATOM 60356 N4 C 02864 208.349 100.731 116.132 1.00737.35 N ATOM 60357 C5 C 02864 208.584 98.451 115.447 1.00737.35 C ATOM 60358 C6 C 02864 208.163 97.484 114.619 1.00737.35 C ATOM 60359 P G 02865 210.245 95.618 109.580 1.00737.35 P ATOM 60360 O1P G 02865 210.237 95.111 108.183 1.00737.35 O ATOM 60361 O2P G 02865 211.347 95.228 110.495 1.00737.35 O ATOM 60362 O5* G 02865 210.178 97.209 109.534 1.00737.35 O ATOM 60363 C5* G 02865 209.159 97.881 108.794 1.00737.35 C ATOM 60364 C4* G 02865 209.085 99.335 109.203 1.00737.35 C ATOM 60365 O4* G 02865 208.741 99.421 110.610 1.00737.35 O ATOM 60366 C3* G 02865 210.382 100.119 109.086 1.00737.35 C ATOM 60367 O3* G 02865 210.563 100.619 107.767 1.00737.35 O ATOM 60368 C2* G 02865 210.162 101.253 110.082 1.00737.35 C ATOM 60369 O2* G 02865 209.378 102.308 109.559 1.00737.35 O ATOM 60370 C1* G 02865 209.391 100.538 111.194 1.00737.35 C ATOM 60371 N9 G 02865 210.248 100.068 112.280 1.00737.35 N ATOM 60372 C8 G 02865 210.847 98.836 112.396 1.00737.35 C ATOM 60373 N7 G 02865 211.559 98.711 113.481 1.00737.35 N ATOM 60374 C5 G 02865 211.423 99.937 114.124 1.00737.35 C ATOM 60375 C6 G 02865 211.971 100.396 115.349 1.00737.35 C ATOM 60376 O6 G 02865 212.709 99.794 116.140 1.00737.35 O ATOM 60377 N1 G 02865 211.578 101.702 115.625 1.00737.35 N ATOM 60378 C2 G 02865 210.764 102.466 114.828 1.00737.35 C ATOM 60379 N2 G 02865 210.500 103.706 115.268 1.00737.35 N ATOM 60380 N3 G 02865 210.249 102.051 113.684 1.00737.35 N ATOM 60381 C4 G 02865 210.617 100.784 113.395 1.00737.35 C ATOM 60382 P A 02866 212.022 100.586 107.090 1.00737.35 P ATOM 60383 O1P A 02866 212.085 99.370 106.236 1.00737.35 O ATOM 60384 O2P A 02866 213.047 100.796 108.145 1.00737.35 O ATOM 60385 O5* A 02866 212.025 101.861 106.135 1.00737.35 O ATOM 60386 C5* A 02866 210.916 102.142 105.284 1.00737.35 C ATOM 60387 C4* A 02866 210.902 103.604 104.909 1.00737.35 C ATOM 60388 O4* A 02866 210.781 104.409 106.115 1.00737.35 O ATOM 60389 C3* A 02866 212.160 104.128 104.237 1.00737.35 C ATOM 60390 O3* A 02866 212.138 103.866 102.838 1.00737.35 O ATOM 60391 C2* A 02866 212.093 105.620 104.545 1.00737.35 C ATOM 60392 O2* A 02866 211.224 106.328 103.686 1.00737.35 O ATOM 60393 C1* A 02866 211.521 105.610 105.965 1.00737.35 C ATOM 60394 N9 A 02866 212.553 105.651 107.002 1.00737.35 N ATOM 60395 C8 A 02866 213.193 104.597 107.609 1.00737.35 C ATOM 60396 N7 A 02866 214.081 104.958 108.503 1.00737.35 N ATOM 60397 C5 A 02866 214.024 106.344 108.487 1.00737.35 C ATOM 60398 C6 A 02866 214.723 107.327 109.211 1.00737.35 C ATOM 60399 N6 A 02866 215.653 107.050 110.128 1.00737.35 N ATOM 60400 N1 A 02866 214.431 108.621 108.956 1.00737.35 N ATOM 60401 C2 A 02866 213.500 108.897 108.036 1.00737.35 C ATOM 60402 N3 A 02866 212.774 108.063 107.291 1.00737.35 N ATOM 60403 C4 A 02866 213.089 106.786 107.568 1.00737.35 C ATOM 60404 P G 02867 213.514 103.845 102.010 1.00737.35 P ATOM 60405 O1P G 02867 213.172 103.577 100.589 1.00737.35 O ATOM 60406 O2P G 02867 214.473 102.954 102.712 1.00737.35 O ATOM 60407 O5* G 02867 214.039 105.345 102.120 1.00737.35 O ATOM 60408 C5* G 02867 215.399 105.672 101.857 1.00737.35 C ATOM 60409 C4* G 02867 215.550 107.166 101.701 1.00737.35 C ATOM 60410 O4* G 02867 215.011 107.830 102.872 1.00737.35 O ATOM 60411 C3* G 02867 216.977 107.677 101.587 1.00737.35 C ATOM 60412 O3* G 02867 217.428 107.567 100.236 1.00737.35 O ATOM 60413 C2* G 02867 216.849 109.120 102.071 1.00737.35 C ATOM 60414 O2* G 02867 216.408 110.011 101.065 1.00737.35 O ATOM 60415 C1* G 02867 215.768 108.994 103.148 1.00737.35 C ATOM 60416 N9 G 02867 216.259 108.912 104.521 1.00737.35 N ATOM 60417 C8 G 02867 215.994 109.798 105.538 1.00737.35 C ATOM 60418 N7 G 02867 216.567 109.474 106.664 1.00737.35 N ATOM 60419 C5 G 02867 217.255 108.301 106.377 1.00737.35 C ATOM 60420 C6 G 02867 218.059 107.482 107.210 1.00737.35 C ATOM 60421 O6 G 02867 218.338 107.633 108.406 1.00737.35 O ATOM 60422 N1 G 02867 218.564 106.388 106.515 1.00737.35 N ATOM 60423 C2 G 02867 218.325 106.115 105.192 1.00737.35 C ATOM 60424 N2 G 02867 218.902 105.007 104.704 1.00737.35 N ATOM 60425 N3 G 02867 217.578 106.871 104.405 1.00737.35 N ATOM 60426 C4 G 02867 217.079 107.941 105.058 1.00737.35 C ATOM 60427 P G 02868 218.821 108.240 99.786 1.00737.35 P ATOM 60428 O1P G 02868 219.445 107.322 98.797 1.00737.35 O ATOM 60429 O2P G 02868 219.590 108.644 100.992 1.00737.35 O ATOM 60430 O5* G 02868 218.357 109.559 99.023 1.00737.35 O ATOM 60431 C5* G 02868 217.854 109.503 97.686 1.00737.35 C ATOM 60432 C4* G 02868 216.460 108.914 97.673 1.00737.35 C ATOM 60433 O4* G 02868 215.609 109.644 98.593 1.00737.35 O ATOM 60434 C3* G 02868 215.720 108.989 96.347 1.00737.35 C ATOM 60435 O3* G 02868 216.083 107.918 95.483 1.00737.35 O ATOM 60436 C2* G 02868 214.265 108.874 96.786 1.00737.35 C ATOM 60437 O2* G 02868 213.863 107.540 97.035 1.00737.35 O ATOM 60438 C1* G 02868 214.278 109.663 98.099 1.00737.35 C ATOM 60439 N9 G 02868 213.849 111.054 97.950 1.00737.35 N ATOM 60440 C8 G 02868 214.573 112.186 98.238 1.00737.35 C ATOM 60441 N7 G 02868 213.915 113.289 98.003 1.00737.35 N ATOM 60442 C5 G 02868 212.682 112.859 97.531 1.00737.35 C ATOM 60443 C6 G 02868 211.549 113.605 97.111 1.00737.35 C ATOM 60444 O6 G 02868 211.403 114.833 97.074 1.00737.35 O ATOM 60445 N1 G 02868 210.510 112.773 96.706 1.00737.35 N ATOM 60446 C2 G 02868 210.553 111.401 96.705 1.00737.35 C ATOM 60447 N2 G 02868 209.448 110.774 96.274 1.00737.35 N ATOM 60448 N3 G 02868 211.603 110.694 97.094 1.00737.35 N ATOM 60449 C4 G 02868 212.621 111.483 97.492 1.00737.35 C ATOM 60450 P U 02869 216.116 108.157 93.892 1.00737.35 P ATOM 60451 O1P U 02869 217.446 108.722 93.557 1.00737.35 O ATOM 60452 O2P U 02869 214.885 108.895 93.501 1.00737.35 O ATOM 60453 O5* U 02869 216.024 106.688 93.278 1.00737.35 O ATOM 60454 C5* U 02869 217.065 105.736 93.486 1.00737.35 C ATOM 60455 C4* U 02869 217.229 104.867 92.261 1.00737.35 C ATOM 60456 O4* U 02869 216.001 104.126 92.032 1.00737.35 O ATOM 60457 C3* U 02869 217.468 105.620 90.961 1.00737.35 C ATOM 60458 O3* U 02869 218.849 105.923 90.794 1.00737.35 O ATOM 60459 C2* U 02869 216.962 104.633 89.917 1.00737.35 C ATOM 60460 O2* U 02869 217.898 103.620 89.610 1.00737.35 O ATOM 60461 C1* U 02869 215.755 104.024 90.636 1.00737.35 C ATOM 60462 N1 U 02869 214.480 104.697 90.333 1.00737.35 N ATOM 60463 C2 U 02869 213.817 104.343 89.163 1.00737.35 C ATOM 60464 O2 U 02869 214.245 103.506 88.382 1.00737.35 O ATOM 60465 N3 U 02869 212.635 105.006 88.944 1.00737.35 N ATOM 60466 C4 U 02869 212.056 105.965 89.751 1.00737.35 C ATOM 60467 O4 U 02869 210.984 106.471 89.417 1.00737.35 O ATOM 60468 C5 U 02869 212.798 106.277 90.934 1.00737.35 C ATOM 60469 C6 U 02869 213.952 105.650 91.178 1.00737.35 C ATOM 60470 P C 02870 219.283 107.226 89.957 1.00737.35 P ATOM 60471 O1P C 02870 220.761 107.344 90.060 1.00737.35 O ATOM 60472 O2P C 02870 218.428 108.365 90.375 1.00737.35 O ATOM 60473 O5* C 02870 218.916 106.853 88.452 1.00737.35 O ATOM 60474 C5* C 02870 219.634 105.840 87.750 1.00737.35 C ATOM 60475 C4* C 02870 219.004 105.585 86.403 1.00737.35 C ATOM 60476 O4* C 02870 217.665 105.054 86.588 1.00737.35 O ATOM 60477 C3* C 02870 218.801 106.808 85.520 1.00737.35 C ATOM 60478 O3* C 02870 219.988 107.128 84.801 1.00737.35 O ATOM 60479 C2* C 02870 217.676 106.354 84.597 1.00737.35 C ATOM 60480 O2* C 02870 218.124 105.543 83.529 1.00737.35 O ATOM 60481 C1* C 02870 216.815 105.525 85.553 1.00737.35 C ATOM 60482 N1 C 02870 215.704 106.292 86.161 1.00737.35 N ATOM 60483 C2 C 02870 214.482 106.373 85.474 1.00737.35 C ATOM 60484 O2 C 02870 214.360 105.796 84.379 1.00737.35 O ATOM 60485 N3 C 02870 213.464 107.076 86.021 1.00737.35 N ATOM 60486 C4 C 02870 213.630 107.684 87.198 1.00737.35 C ATOM 60487 N4 C 02870 212.598 108.369 87.697 1.00737.35 N ATOM 60488 C5 C 02870 214.858 107.619 87.916 1.00737.35 C ATOM 60489 C6 C 02870 215.859 106.918 87.366 1.00737.35 C ATOM 60490 P U 02871 220.243 108.640 84.318 1.00737.35 P ATOM 60491 O1P U 02871 221.586 108.679 83.683 1.00737.35 O ATOM 60492 O2P U 02871 219.941 109.556 85.447 1.00737.35 O ATOM 60493 O5* U 02871 219.147 108.870 83.184 1.00737.35 O ATOM 60494 C5* U 02871 219.210 108.156 81.950 1.00737.35 C ATOM 60495 C4* U 02871 218.000 108.465 81.098 1.00737.35 C ATOM 60496 O4* U 02871 216.803 107.982 81.762 1.00737.35 O ATOM 60497 C3* U 02871 217.715 109.938 80.851 1.00737.35 C ATOM 60498 O3* U 02871 218.502 110.439 79.773 1.00737.35 O ATOM 60499 C2* U 02871 216.229 109.927 80.518 1.00737.35 C ATOM 60500 O2* U 02871 215.961 109.561 79.178 1.00737.35 O ATOM 60501 C1* U 02871 215.711 108.840 81.464 1.00737.35 C ATOM 60502 N1 U 02871 215.165 109.370 82.726 1.00737.35 N ATOM 60503 C2 U 02871 213.821 109.716 82.754 1.00737.35 C ATOM 60504 O2 U 02871 213.081 109.598 81.788 1.00737.35 O ATOM 60505 N3 U 02871 213.373 110.208 83.955 1.00737.35 N ATOM 60506 C4 U 02871 214.112 110.384 85.108 1.00737.35 C ATOM 60507 O4 U 02871 213.562 110.840 86.112 1.00737.35 O ATOM 60508 C5 U 02871 215.486 110.006 85.002 1.00737.35 C ATOM 60509 C6 U 02871 215.954 109.524 83.847 1.00737.35 C ATOM 60510 P U 02872 218.841 112.010 79.695 1.00737.35 P ATOM 60511 O1P U 02872 219.800 112.197 78.574 1.00737.35 O ATOM 60512 O2P U 02872 219.204 112.484 81.056 1.00737.35 O ATOM 60513 O5* U 02872 217.456 112.681 79.287 1.00737.35 O ATOM 60514 C5* U 02872 216.893 112.467 77.993 1.00737.35 C ATOM 60515 C4* U 02872 215.530 113.116 77.897 1.00737.35 C ATOM 60516 O4* U 02872 214.620 112.472 78.828 1.00737.35 O ATOM 60517 C3* U 02872 215.464 114.586 78.269 1.00737.35 C ATOM 60518 O3* U 02872 215.840 115.411 77.170 1.00737.35 O ATOM 60519 C2* U 02872 213.993 114.760 78.636 1.00737.35 C ATOM 60520 O2* U 02872 213.152 114.917 77.509 1.00737.35 O ATOM 60521 C1* U 02872 213.692 113.426 79.323 1.00737.35 C ATOM 60522 N1 U 02872 213.807 113.480 80.791 1.00737.35 N ATOM 60523 C2 U 02872 212.682 113.850 81.514 1.00737.35 C ATOM 60524 O2 U 02872 211.612 114.128 80.990 1.00737.35 O ATOM 60525 N3 U 02872 212.852 113.887 82.877 1.00737.35 N ATOM 60526 C4 U 02872 214.003 113.598 83.578 1.00737.35 C ATOM 60527 O4 U 02872 213.998 113.680 84.807 1.00737.35 O ATOM 60528 C5 U 02872 215.121 113.224 82.766 1.00737.35 C ATOM 60529 C6 U 02872 214.989 113.178 81.435 1.00737.35 C ATOM 60530 P G 02873 216.401 116.894 77.437 1.00737.35 P ATOM 60531 O1P G 02873 216.894 117.420 76.140 1.00737.35 O ATOM 60532 O2P G 02873 217.318 116.852 78.607 1.00737.35 O ATOM 60533 O5* G 02873 215.105 117.724 77.854 1.00737.35 O ATOM 60534 C5* G 02873 214.077 117.999 76.902 1.00737.35 C ATOM 60535 C4* G 02873 212.925 118.722 77.565 1.00737.35 C ATOM 60536 O4* G 02873 212.316 117.855 78.557 1.00737.35 O ATOM 60537 C3* G 02873 213.286 119.980 78.340 1.00737.35 C ATOM 60538 O3* G 02873 213.377 121.107 77.475 1.00737.35 O ATOM 60539 C2* G 02873 212.121 120.102 79.315 1.00737.35 C ATOM 60540 O2* G 02873 210.968 120.682 78.736 1.00737.35 O ATOM 60541 C1* G 02873 211.848 118.633 79.648 1.00737.35 C ATOM 60542 N9 G 02873 212.518 118.180 80.865 1.00737.35 N ATOM 60543 C8 G 02873 213.745 117.564 80.960 1.00737.35 C ATOM 60544 N7 G 02873 214.080 117.278 82.188 1.00737.35 N ATOM 60545 C5 G 02873 213.012 117.730 82.951 1.00737.35 C ATOM 60546 C6 G 02873 212.804 117.695 84.355 1.00737.35 C ATOM 60547 O6 G 02873 213.548 117.242 85.235 1.00737.35 O ATOM 60548 N1 G 02873 211.587 118.264 84.706 1.00737.35 N ATOM 60549 C2 G 02873 210.680 118.798 83.823 1.00737.35 C ATOM 60550 N2 G 02873 209.558 119.301 84.359 1.00737.35 N ATOM 60551 N3 G 02873 210.861 118.837 82.514 1.00737.35 N ATOM 60552 C4 G 02873 212.041 118.290 82.150 1.00737.35 C ATOM 60553 P A 02874 214.279 122.371 77.901 1.00737.35 P ATOM 60554 O1P A 02874 214.292 123.311 76.751 1.00737.35 O ATOM 60555 O2P A 02874 215.564 121.871 78.456 1.00737.35 O ATOM 60556 O5* A 02874 213.454 123.046 79.088 1.00737.35 O ATOM 60557 C5* A 02874 212.200 123.677 78.842 1.00737.35 C ATOM 60558 C4* A 02874 211.587 124.158 80.136 1.00737.35 C ATOM 60559 O4* A 02874 211.290 123.018 80.984 1.00737.35 O ATOM 60560 C3* A 02874 212.469 125.049 81.000 1.00737.35 C ATOM 60561 O3* A 02874 212.402 126.406 80.571 1.00737.35 O ATOM 60562 C2* A 02874 211.863 124.854 82.386 1.00737.35 C ATOM 60563 O2* A 02874 210.706 125.639 82.602 1.00737.35 O ATOM 60564 C1* A 02874 211.481 123.372 82.346 1.00737.35 C ATOM 60565 N9 A 02874 212.504 122.491 82.915 1.00737.35 N ATOM 60566 C8 A 02874 213.538 121.860 82.266 1.00737.35 C ATOM 60567 N7 A 02874 214.292 121.134 83.055 1.00737.35 N ATOM 60568 C5 A 02874 213.718 121.297 84.310 1.00737.35 C ATOM 60569 C6 A 02874 214.052 120.785 85.577 1.00737.35 C ATOM 60570 N6 A 02874 215.087 119.972 85.796 1.00737.35 N ATOM 60571 N1 A 02874 213.275 121.144 86.622 1.00737.35 N ATOM 60572 C2 A 02874 212.240 121.962 86.400 1.00737.35 C ATOM 60573 N3 A 02874 211.826 122.507 85.258 1.00737.35 N ATOM 60574 C4 A 02874 212.618 122.131 84.238 1.00737.35 C ATOM 60575 P C 02875 213.613 127.410 80.908 1.00737.35 P ATOM 60576 O1P C 02875 213.346 128.680 80.185 1.00737.35 O ATOM 60577 O2P C 02875 214.897 126.696 80.684 1.00737.35 O ATOM 60578 O5* C 02875 213.459 127.684 82.471 1.00737.35 O ATOM 60579 C5* C 02875 212.326 128.382 82.984 1.00737.35 C ATOM 60580 C4* C 02875 212.316 128.335 84.496 1.00737.35 C ATOM 60581 O4* C 02875 212.193 126.956 84.933 1.00737.35 O ATOM 60582 C3* C 02875 213.575 128.836 85.186 1.00737.35 C ATOM 60583 O3* C 02875 213.551 130.255 85.325 1.00737.35 O ATOM 60584 C2* C 02875 213.506 128.128 86.534 1.00737.35 C ATOM 60585 O2* C 02875 212.642 128.766 87.453 1.00737.35 O ATOM 60586 C1* C 02875 212.928 126.768 86.134 1.00737.35 C ATOM 60587 N1 C 02875 213.956 125.732 85.908 1.00737.35 N ATOM 60588 C2 C 02875 214.409 124.976 87.002 1.00737.35 C ATOM 60589 O2 C 02875 213.935 125.196 88.130 1.00737.35 O ATOM 60590 N3 C 02875 215.353 124.026 86.803 1.00737.35 N ATOM 60591 C4 C 02875 215.840 123.816 85.577 1.00737.35 C ATOM 60592 N4 C 02875 216.771 122.870 85.430 1.00737.35 N ATOM 60593 C5 C 02875 215.401 124.570 84.451 1.00737.35 C ATOM 60594 C6 C 02875 214.466 125.506 84.657 1.00737.35 C ATOM 60595 P C 02876 214.931 131.066 85.481 1.00737.35 P ATOM 60596 O1P C 02876 214.595 132.513 85.452 1.00737.35 O ATOM 60597 O2P C 02876 215.913 130.524 84.508 1.00737.35 O ATOM 60598 O5* C 02876 215.430 130.699 86.951 1.00737.35 O ATOM 60599 C5* C 02876 214.690 131.112 88.098 1.00737.35 C ATOM 60600 C4* C 02876 215.346 130.595 89.361 1.00737.35 C ATOM 60601 O4* C 02876 215.320 129.144 89.357 1.00737.35 O ATOM 60602 C3* C 02876 216.816 130.946 89.534 1.00737.35 C ATOM 60603 O3* C 02876 216.965 132.241 90.110 1.00737.35 O ATOM 60604 C2* C 02876 217.299 129.846 90.475 1.00737.35 C ATOM 60605 O2* C 02876 216.993 130.098 91.832 1.00737.35 O ATOM 60606 C1* C 02876 216.495 128.643 89.976 1.00737.35 C ATOM 60607 N1 C 02876 217.224 127.803 89.004 1.00737.35 N ATOM 60608 C2 C 02876 218.079 126.794 89.482 1.00737.35 C ATOM 60609 O2 C 02876 218.201 126.634 90.711 1.00737.35 O ATOM 60610 N3 C 02876 218.747 126.022 88.596 1.00737.35 N ATOM 60611 C4 C 02876 218.596 126.221 87.285 1.00737.35 C ATOM 60612 N4 C 02876 219.277 125.434 86.450 1.00737.35 N ATOM 60613 C5 C 02876 217.738 127.236 86.771 1.00737.35 C ATOM 60614 C6 C 02876 217.079 127.995 87.656 1.00737.35 C ATOM 60615 P A 02877 218.287 133.104 89.800 1.00737.35 P ATOM 60616 O1P A 02877 218.122 134.416 90.474 1.00737.35 O ATOM 60617 O2P A 02877 218.545 133.060 88.339 1.00737.35 O ATOM 60618 O5* A 02877 219.452 132.305 90.537 1.00737.35 O ATOM 60619 C5* A 02877 219.486 132.205 91.959 1.00737.35 C ATOM 60620 C4* A 02877 220.643 131.333 92.397 1.00737.35 C ATOM 60621 O4* A 02877 220.452 129.986 91.889 1.00737.35 O ATOM 60622 C3* A 02877 222.010 131.732 91.870 1.00737.35 C ATOM 60623 O3* A 02877 222.587 132.850 92.553 1.00737.35 O ATOM 60624 C2* A 02877 222.789 130.429 91.982 1.00737.35 C ATOM 60625 O2* A 02877 223.244 130.171 93.296 1.00737.35 O ATOM 60626 C1* A 02877 221.716 129.406 91.601 1.00737.35 C ATOM 60627 N9 A 02877 221.743 129.031 90.185 1.00737.35 N ATOM 60628 C8 A 02877 221.125 129.659 89.130 1.00737.35 C ATOM 60629 N7 A 02877 221.338 129.083 87.974 1.00737.35 N ATOM 60630 C5 A 02877 222.152 128.001 88.284 1.00737.35 C ATOM 60631 C6 A 02877 222.730 126.994 87.492 1.00737.35 C ATOM 60632 N6 A 02877 222.570 126.910 86.169 1.00737.35 N ATOM 60633 N1 A 02877 223.489 126.064 88.112 1.00737.35 N ATOM 60634 C2 A 02877 223.648 126.151 89.438 1.00737.35 C ATOM 60635 N3 A 02877 223.157 127.047 90.292 1.00737.35 N ATOM 60636 C4 A 02877 222.408 127.956 89.644 1.00737.35 C TER 60637 A 02877 MASTER 545 0 4 0 0 0 0 666760 33 0 522 END ./arbsrc_9167/lib/rna3d/Ecoli_1PNU_5S_rRNA.pdb0000644012664100000130000061653011213220015020470 0ustar arb_buildcodersATOM 60638 P C 9 4 164.949 43.946 -22.463 1.00938.02 P ATOM 60639 O1P C 9 4 164.594 42.548 -22.115 1.00938.02 O ATOM 60640 O2P C 9 4 165.550 44.828 -21.429 1.00938.02 O ATOM 60641 O5* C 9 4 163.642 44.658 -23.035 1.00938.02 O ATOM 60642 C5* C 9 4 163.652 46.042 -23.381 1.00938.02 C ATOM 60643 C4* C 9 4 162.352 46.426 -24.053 1.00938.02 C ATOM 60644 O4* C 9 4 162.223 45.690 -25.298 1.00938.02 O ATOM 60645 C3* C 9 4 161.085 46.092 -23.282 1.00938.02 C ATOM 60646 O3* C 9 4 160.773 47.115 -22.341 1.00938.02 O ATOM 60647 C2* C 9 4 160.046 46.002 -24.393 1.00938.02 C ATOM 60648 O2* C 9 4 159.567 47.264 -24.812 1.00938.02 O ATOM 60649 C1* C 9 4 160.860 45.357 -25.519 1.00938.02 C ATOM 60650 N1 C 9 4 160.737 43.885 -25.571 1.00938.02 N ATOM 60651 C2 C 9 4 159.704 43.316 -26.334 1.00938.02 C ATOM 60652 O2 C 9 4 158.920 44.061 -26.946 1.00938.02 O ATOM 60653 N3 C 9 4 159.587 41.968 -26.385 1.00938.02 N ATOM 60654 C4 C 9 4 160.445 41.198 -25.714 1.00938.02 C ATOM 60655 N4 C 9 4 160.291 39.873 -25.793 1.00938.02 N ATOM 60656 C5 C 9 4 161.502 41.747 -24.932 1.00938.02 C ATOM 60657 C6 C 9 4 161.610 43.081 -24.888 1.00938.02 C ATOM 60658 P C 9 5 159.921 46.757 -21.023 1.00938.02 P ATOM 60659 O1P C 9 5 159.878 47.965 -20.160 1.00938.02 O ATOM 60660 O2P C 9 5 160.447 45.481 -20.473 1.00938.02 O ATOM 60661 O5* C 9 5 158.451 46.485 -21.579 1.00938.02 O ATOM 60662 C5* C 9 5 157.659 47.548 -22.107 1.00938.02 C ATOM 60663 C4* C 9 5 156.381 47.004 -22.706 1.00938.02 C ATOM 60664 O4* C 9 5 156.705 46.138 -23.826 1.00938.02 O ATOM 60665 C3* C 9 5 155.536 46.133 -21.790 1.00938.02 C ATOM 60666 O3* C 9 5 154.690 46.926 -20.960 1.00938.02 O ATOM 60667 C2* C 9 5 154.739 45.298 -22.786 1.00938.02 C ATOM 60668 O2* C 9 5 153.625 45.985 -23.322 1.00938.02 O ATOM 60669 C1* C 9 5 155.781 45.063 -23.882 1.00938.02 C ATOM 60670 N1 C 9 5 156.520 43.792 -23.724 1.00938.02 N ATOM 60671 C2 C 9 5 155.969 42.616 -24.261 1.00938.02 C ATOM 60672 O2 C 9 5 154.880 42.671 -24.857 1.00938.02 O ATOM 60673 N3 C 9 5 156.640 41.450 -24.115 1.00938.02 N ATOM 60674 C4 C 9 5 157.808 41.425 -23.468 1.00938.02 C ATOM 60675 N4 C 9 5 158.431 40.252 -23.349 1.00938.02 N ATOM 60676 C5 C 9 5 158.387 42.602 -22.914 1.00938.02 C ATOM 60677 C6 C 9 5 157.718 43.752 -23.063 1.00938.02 C ATOM 60678 P C 9 6 154.141 46.323 -19.573 1.00938.02 P ATOM 60679 O1P C 9 6 153.403 47.398 -18.865 1.00938.02 O ATOM 60680 O2P C 9 6 155.278 45.644 -18.894 1.00938.02 O ATOM 60681 O5* C 9 6 153.099 45.205 -20.024 1.00938.02 O ATOM 60682 C5* C 9 6 151.855 45.564 -20.622 1.00938.02 C ATOM 60683 C4* C 9 6 151.007 44.334 -20.859 1.00938.02 C ATOM 60684 O4* C 9 6 151.649 43.485 -21.847 1.00938.02 O ATOM 60685 C3* C 9 6 150.804 43.422 -19.660 1.00938.02 C ATOM 60686 O3* C 9 6 149.741 43.894 -18.837 1.00938.02 O ATOM 60687 C2* C 9 6 150.468 42.091 -20.320 1.00938.02 C ATOM 60688 O2* C 9 6 149.115 41.994 -20.721 1.00938.02 O ATOM 60689 C1* C 9 6 151.374 42.124 -21.555 1.00938.02 C ATOM 60690 N1 C 9 6 152.651 41.401 -21.377 1.00938.02 N ATOM 60691 C2 C 9 6 152.682 40.013 -21.595 1.00938.02 C ATOM 60692 O2 C 9 6 151.636 39.427 -21.930 1.00938.02 O ATOM 60693 N3 C 9 6 153.847 39.347 -21.438 1.00938.02 N ATOM 60694 C4 C 9 6 154.950 40.004 -21.077 1.00938.02 C ATOM 60695 N4 C 9 6 156.078 39.303 -20.935 1.00938.02 N ATOM 60696 C5 C 9 6 154.948 41.411 -20.848 1.00938.02 C ATOM 60697 C6 C 9 6 153.790 42.065 -21.006 1.00938.02 C ATOM 60698 P C 9 7 149.745 43.568 -17.262 1.00938.02 P ATOM 60699 O1P C 9 7 148.619 44.310 -16.640 1.00938.02 O ATOM 60700 O2P C 9 7 151.127 43.776 -16.759 1.00938.02 O ATOM 60701 O5* C 9 7 149.424 42.008 -17.189 1.00938.02 O ATOM 60702 C5* C 9 7 148.124 41.514 -17.499 1.00938.02 C ATOM 60703 C4* C 9 7 148.102 40.004 -17.440 1.00938.02 C ATOM 60704 O4* C 9 7 148.981 39.465 -18.463 1.00938.02 O ATOM 60705 C3* C 9 7 148.607 39.374 -16.150 1.00938.02 C ATOM 60706 O3* C 9 7 147.587 39.344 -15.157 1.00938.02 O ATOM 60707 C2* C 9 7 148.999 37.975 -16.608 1.00938.02 C ATOM 60708 O2* C 9 7 147.900 37.094 -16.707 1.00938.02 O ATOM 60709 C1* C 9 7 149.564 38.257 -18.002 1.00938.02 C ATOM 60710 N1 C 9 7 151.036 38.396 -18.027 1.00938.02 N ATOM 60711 C2 C 9 7 151.822 37.242 -18.197 1.00938.02 C ATOM 60712 O2 C 9 7 151.262 36.140 -18.324 1.00938.02 O ATOM 60713 N3 C 9 7 153.170 37.359 -18.216 1.00938.02 N ATOM 60714 C4 C 9 7 153.737 38.559 -18.078 1.00938.02 C ATOM 60715 N4 C 9 7 155.071 38.624 -18.102 1.00938.02 N ATOM 60716 C5 C 9 7 152.966 39.745 -17.906 1.00938.02 C ATOM 60717 C6 C 9 7 151.633 39.620 -17.887 1.00938.02 C ATOM 60718 P C 9 8 147.986 39.239 -13.603 1.00938.02 P ATOM 60719 O1P C 9 8 146.753 39.430 -12.796 1.00938.02 O ATOM 60720 O2P C 9 8 149.155 40.126 -13.371 1.00938.02 O ATOM 60721 O5* C 9 8 148.470 37.731 -13.430 1.00938.02 O ATOM 60722 C5* C 9 8 147.559 36.645 -13.584 1.00938.02 C ATOM 60723 C4* C 9 8 148.294 35.326 -13.533 1.00938.02 C ATOM 60724 O4* C 9 8 149.231 35.255 -14.642 1.00938.02 O ATOM 60725 C3* C 9 8 149.156 35.087 -12.303 1.00938.02 C ATOM 60726 O3* C 9 8 148.377 34.588 -11.219 1.00938.02 O ATOM 60727 C2* C 9 8 150.159 34.056 -12.806 1.00938.02 C ATOM 60728 O2* C 9 8 149.648 32.738 -12.813 1.00938.02 O ATOM 60729 C1* C 9 8 150.387 34.532 -14.243 1.00938.02 C ATOM 60730 N1 C 9 8 151.571 35.401 -14.395 1.00938.02 N ATOM 60731 C2 C 9 8 152.827 34.804 -14.606 1.00938.02 C ATOM 60732 O2 C 9 8 152.909 33.567 -14.660 1.00938.02 O ATOM 60733 N3 C 9 8 153.919 35.595 -14.741 1.00938.02 N ATOM 60734 C4 C 9 8 153.795 36.922 -14.676 1.00938.02 C ATOM 60735 N4 C 9 8 154.899 37.660 -14.815 1.00938.02 N ATOM 60736 C5 C 9 8 152.533 37.554 -14.466 1.00938.02 C ATOM 60737 C6 C 9 8 151.459 36.764 -14.332 1.00938.02 C ATOM 60738 P G 9 9 148.894 34.779 -9.708 1.00938.02 P ATOM 60739 O1P G 9 9 147.820 34.321 -8.790 1.00938.02 O ATOM 60740 O2P G 9 9 149.422 36.162 -9.582 1.00938.02 O ATOM 60741 O5* G 9 9 150.122 33.771 -9.591 1.00938.02 O ATOM 60742 C5* G 9 9 149.922 32.359 -9.668 1.00938.02 C ATOM 60743 C4* G 9 9 151.246 31.631 -9.610 1.00938.02 C ATOM 60744 O4* G 9 9 152.042 31.987 -10.769 1.00938.02 O ATOM 60745 C3* G 9 9 152.138 31.965 -8.424 1.00938.02 C ATOM 60746 O3* G 9 9 151.776 31.194 -7.281 1.00938.02 O ATOM 60747 C2* G 9 9 153.520 31.586 -8.946 1.00938.02 C ATOM 60748 O2* G 9 9 153.787 30.200 -8.859 1.00938.02 O ATOM 60749 C1* G 9 9 153.417 32.002 -10.416 1.00938.02 C ATOM 60750 N9 G 9 9 153.957 33.333 -10.689 1.00938.02 N ATOM 60751 C8 G 9 9 153.255 34.512 -10.791 1.00938.02 C ATOM 60752 N7 G 9 9 154.016 35.541 -11.046 1.00938.02 N ATOM 60753 C5 G 9 9 155.297 35.013 -11.118 1.00938.02 C ATOM 60754 C6 G 9 9 156.543 35.650 -11.369 1.00938.02 C ATOM 60755 O6 G 9 9 156.767 36.848 -11.586 1.00938.02 O ATOM 60756 N1 G 9 9 157.594 34.738 -11.350 1.00938.02 N ATOM 60757 C2 G 9 9 157.469 33.392 -11.121 1.00938.02 C ATOM 60758 N2 G 9 9 158.606 32.680 -11.145 1.00938.02 N ATOM 60759 N3 G 9 9 156.316 32.786 -10.886 1.00938.02 N ATOM 60760 C4 G 9 9 155.279 33.650 -10.899 1.00938.02 C ATOM 60761 P U 9 10 152.019 31.790 -5.806 1.00938.02 P ATOM 60762 O1P U 9 10 151.535 30.792 -4.819 1.00938.02 O ATOM 60763 O2P U 9 10 151.472 33.171 -5.781 1.00938.02 O ATOM 60764 O5* U 9 10 153.607 31.887 -5.685 1.00938.02 O ATOM 60765 C5* U 9 10 154.416 30.713 -5.706 1.00938.02 C ATOM 60766 C4* U 9 10 155.871 31.079 -5.902 1.00938.02 C ATOM 60767 O4* U 9 10 156.022 31.752 -7.183 1.00938.02 O ATOM 60768 C3* U 9 10 156.452 32.060 -4.894 1.00938.02 C ATOM 60769 O3* U 9 10 156.895 31.384 -3.721 1.00938.02 O ATOM 60770 C2* U 9 10 157.608 32.676 -5.672 1.00938.02 C ATOM 60771 O2* U 9 10 158.765 31.862 -5.687 1.00938.02 O ATOM 60772 C1* U 9 10 157.015 32.761 -7.081 1.00938.02 C ATOM 60773 N1 U 9 10 156.398 34.064 -7.381 1.00938.02 N ATOM 60774 C2 U 9 10 157.211 35.062 -7.903 1.00938.02 C ATOM 60775 O2 U 9 10 158.404 34.904 -8.122 1.00938.02 O ATOM 60776 N3 U 9 10 156.576 36.252 -8.157 1.00938.02 N ATOM 60777 C4 U 9 10 155.244 36.546 -7.952 1.00938.02 C ATOM 60778 O4 U 9 10 154.821 37.670 -8.233 1.00938.02 O ATOM 60779 C5 U 9 10 154.470 35.470 -7.414 1.00938.02 C ATOM 60780 C6 U 9 10 155.057 34.296 -7.154 1.00938.02 C ATOM 60781 P G 9 11 157.064 32.199 -2.345 1.00938.02 P ATOM 60782 O1P G 9 11 157.475 31.240 -1.287 1.00938.02 O ATOM 60783 O2P G 9 11 155.839 33.019 -2.154 1.00938.02 O ATOM 60784 O5* G 9 11 158.286 33.182 -2.628 1.00938.02 O ATOM 60785 C5* G 9 11 158.613 34.228 -1.717 1.00938.02 C ATOM 60786 C4* G 9 11 160.026 34.710 -1.960 1.00938.02 C ATOM 60787 O4* G 9 11 160.166 35.116 -3.347 1.00938.02 O ATOM 60788 C3* G 9 11 160.439 35.938 -1.163 1.00938.02 C ATOM 60789 O3* G 9 11 160.898 35.572 0.135 1.00938.02 O ATOM 60790 C2* G 9 11 161.556 36.519 -2.022 1.00938.02 C ATOM 60791 O2* G 9 11 162.799 35.872 -1.834 1.00938.02 O ATOM 60792 C1* G 9 11 161.033 36.237 -3.433 1.00938.02 C ATOM 60793 N9 G 9 11 160.291 37.353 -4.017 1.00938.02 N ATOM 60794 C8 G 9 11 158.926 37.501 -4.081 1.00938.02 C ATOM 60795 N7 G 9 11 158.555 38.606 -4.669 1.00938.02 N ATOM 60796 C5 G 9 11 159.749 39.230 -5.012 1.00938.02 C ATOM 60797 C6 G 9 11 159.982 40.462 -5.674 1.00938.02 C ATOM 60798 O6 G 9 11 159.157 41.279 -6.101 1.00938.02 O ATOM 60799 N1 G 9 11 161.344 40.712 -5.819 1.00938.02 N ATOM 60800 C2 G 9 11 162.350 39.887 -5.389 1.00938.02 C ATOM 60801 N2 G 9 11 163.602 40.305 -5.623 1.00938.02 N ATOM 60802 N3 G 9 11 162.147 38.733 -4.771 1.00938.02 N ATOM 60803 C4 G 9 11 160.829 38.471 -4.618 1.00938.02 C ATOM 60804 P C 9 12 160.764 36.615 1.352 1.00938.02 P ATOM 60805 O1P C 9 12 161.158 35.895 2.591 1.00938.02 O ATOM 60806 O2P C 9 12 159.429 37.263 1.276 1.00938.02 O ATOM 60807 O5* C 9 12 161.870 37.717 1.040 1.00938.02 O ATOM 60808 C5* C 9 12 163.261 37.416 1.152 1.00938.02 C ATOM 60809 C4* C 9 12 164.092 38.637 0.829 1.00938.02 C ATOM 60810 O4* C 9 12 163.887 39.004 -0.560 1.00938.02 O ATOM 60811 C3* C 9 12 163.745 39.896 1.607 1.00938.02 C ATOM 60812 O3* C 9 12 164.406 39.916 2.869 1.00938.02 O ATOM 60813 C2* C 9 12 164.256 40.998 0.685 1.00938.02 C ATOM 60814 O2* C 9 12 165.649 41.217 0.799 1.00938.02 O ATOM 60815 C1* C 9 12 163.935 40.416 -0.694 1.00938.02 C ATOM 60816 N1 C 9 12 162.651 40.885 -1.256 1.00938.02 N ATOM 60817 C2 C 9 12 162.623 42.097 -1.967 1.00938.02 C ATOM 60818 O2 C 9 12 163.675 42.746 -2.105 1.00938.02 O ATOM 60819 N3 C 9 12 161.451 42.531 -2.483 1.00938.02 N ATOM 60820 C4 C 9 12 160.339 41.812 -2.317 1.00938.02 C ATOM 60821 N4 C 9 12 159.207 42.281 -2.844 1.00938.02 N ATOM 60822 C5 C 9 12 160.339 40.580 -1.600 1.00938.02 C ATOM 60823 C6 C 9 12 161.504 40.158 -1.092 1.00938.02 C ATOM 60824 P C 9 13 163.602 40.368 4.187 1.00938.02 P ATOM 60825 O1P C 9 13 164.588 40.477 5.291 1.00938.02 O ATOM 60826 O2P C 9 13 162.422 39.478 4.342 1.00938.02 O ATOM 60827 O5* C 9 13 163.077 41.833 3.839 1.00938.02 O ATOM 60828 C5* C 9 13 163.988 42.896 3.573 1.00938.02 C ATOM 60829 C4* C 9 13 163.268 44.060 2.932 1.00938.02 C ATOM 60830 O4* C 9 13 162.692 43.623 1.671 1.00938.02 O ATOM 60831 C3* C 9 13 162.083 44.614 3.711 1.00938.02 C ATOM 60832 O3* C 9 13 162.507 45.568 4.681 1.00938.02 O ATOM 60833 C2* C 9 13 161.248 45.261 2.613 1.00938.02 C ATOM 60834 O2* C 9 13 161.716 46.542 2.239 1.00938.02 O ATOM 60835 C1* C 9 13 161.451 44.278 1.458 1.00938.02 C ATOM 60836 N1 C 9 13 160.385 43.258 1.360 1.00938.02 N ATOM 60837 C2 C 9 13 159.216 43.565 0.639 1.00938.02 C ATOM 60838 O2 C 9 13 159.112 44.679 0.103 1.00938.02 O ATOM 60839 N3 C 9 13 158.238 42.637 0.546 1.00938.02 N ATOM 60840 C4 C 9 13 158.383 41.447 1.135 1.00938.02 C ATOM 60841 N4 C 9 13 157.389 40.564 1.016 1.00938.02 N ATOM 60842 C5 C 9 13 159.556 41.109 1.869 1.00938.02 C ATOM 60843 C6 C 9 13 160.521 42.033 1.956 1.00938.02 C ATOM 60844 P C 9 14 161.626 45.807 6.005 1.00938.02 P ATOM 60845 O1P C 9 14 162.049 47.107 6.584 1.00938.02 O ATOM 60846 O2P C 9 14 161.687 44.577 6.836 1.00938.02 O ATOM 60847 O5* C 9 14 160.137 45.963 5.453 1.00938.02 O ATOM 60848 C5* C 9 14 159.134 46.629 6.215 1.00938.02 C ATOM 60849 C4* C 9 14 157.768 46.333 5.642 1.00938.02 C ATOM 60850 O4* C 9 14 157.508 44.908 5.733 1.00938.02 O ATOM 60851 C3* C 9 14 156.595 46.976 6.366 1.00938.02 C ATOM 60852 O3* C 9 14 156.384 48.303 5.891 1.00938.02 O ATOM 60853 C2* C 9 14 155.441 46.054 5.991 1.00938.02 C ATOM 60854 O2* C 9 14 154.908 46.322 4.707 1.00938.02 O ATOM 60855 C1* C 9 14 156.130 44.688 5.988 1.00938.02 C ATOM 60856 N1 C 9 14 155.993 43.953 7.263 1.00938.02 N ATOM 60857 C2 C 9 14 154.869 43.132 7.457 1.00938.02 C ATOM 60858 O2 C 9 14 154.021 43.039 6.553 1.00938.02 O ATOM 60859 N3 C 9 14 154.736 42.459 8.623 1.00938.02 N ATOM 60860 C4 C 9 14 155.666 42.581 9.574 1.00938.02 C ATOM 60861 N4 C 9 14 155.493 41.898 10.708 1.00938.02 N ATOM 60862 C5 C 9 14 156.816 43.408 9.405 1.00938.02 C ATOM 60863 C6 C 9 14 156.938 44.067 8.246 1.00938.02 C ATOM 60864 P A 9 15 155.579 49.359 6.799 1.00938.02 P ATOM 60865 O1P A 9 15 156.436 49.690 7.963 1.00938.02 O ATOM 60866 O2P A 9 15 154.207 48.834 7.023 1.00938.02 O ATOM 60867 O5* A 9 15 155.469 50.657 5.879 1.00938.02 O ATOM 60868 C5* A 9 15 155.335 50.548 4.464 1.00938.02 C ATOM 60869 C4* A 9 15 154.421 51.629 3.935 1.00938.02 C ATOM 60870 O4* A 9 15 153.104 51.468 4.524 1.00938.02 O ATOM 60871 C3* A 9 15 154.809 53.058 4.276 1.00938.02 C ATOM 60872 O3* A 9 15 155.764 53.569 3.349 1.00938.02 O ATOM 60873 C2* A 9 15 153.476 53.788 4.161 1.00938.02 C ATOM 60874 O2* A 9 15 153.123 54.098 2.827 1.00938.02 O ATOM 60875 C1* A 9 15 152.507 52.740 4.712 1.00938.02 C ATOM 60876 N9 A 9 15 152.215 52.909 6.137 1.00938.02 N ATOM 60877 C8 A 9 15 153.016 52.611 7.212 1.00938.02 C ATOM 60878 N7 A 9 15 152.470 52.887 8.370 1.00938.02 N ATOM 60879 C5 A 9 15 151.224 53.402 8.039 1.00938.02 C ATOM 60880 C6 A 9 15 150.160 53.881 8.821 1.00938.02 C ATOM 60881 N6 A 9 15 150.182 53.924 10.154 1.00938.02 N ATOM 60882 N1 A 9 15 149.056 54.320 8.178 1.00938.02 N ATOM 60883 C2 A 9 15 149.035 54.275 6.839 1.00938.02 C ATOM 60884 N3 A 9 15 149.969 53.849 5.995 1.00938.02 N ATOM 60885 C4 A 9 15 151.053 53.419 6.666 1.00938.02 C ATOM 60886 P U 9 16 157.173 54.132 3.883 1.00938.02 P ATOM 60887 O1P U 9 16 158.048 52.958 4.124 1.00938.02 O ATOM 60888 O2P U 9 16 156.912 55.091 4.987 1.00938.02 O ATOM 60889 O5* U 9 16 157.767 54.934 2.638 1.00938.02 O ATOM 60890 C5* U 9 16 157.546 56.336 2.489 1.00938.02 C ATOM 60891 C4* U 9 16 158.006 56.799 1.124 1.00938.02 C ATOM 60892 O4* U 9 16 159.426 56.528 0.984 1.00938.02 O ATOM 60893 C3* U 9 16 157.362 56.088 -0.057 1.00938.02 C ATOM 60894 O3* U 9 16 156.132 56.718 -0.403 1.00938.02 O ATOM 60895 C2* U 9 16 158.408 56.272 -1.154 1.00938.02 C ATOM 60896 O2* U 9 16 158.334 57.534 -1.783 1.00938.02 O ATOM 60897 C1* U 9 16 159.713 56.174 -0.359 1.00938.02 C ATOM 60898 N1 U 9 16 160.330 54.837 -0.376 1.00938.02 N ATOM 60899 C2 U 9 16 161.165 54.523 -1.443 1.00938.02 C ATOM 60900 O2 U 9 16 161.403 55.297 -2.355 1.00938.02 O ATOM 60901 N3 U 9 16 161.710 53.263 -1.397 1.00938.02 N ATOM 60902 C4 U 9 16 161.515 52.306 -0.422 1.00938.02 C ATOM 60903 O4 U 9 16 162.081 51.214 -0.525 1.00938.02 O ATOM 60904 C5 U 9 16 160.644 52.702 0.639 1.00938.02 C ATOM 60905 C6 U 9 16 160.094 53.922 0.627 1.00938.02 C ATOM 60906 P A 9 17 154.739 55.965 -0.119 1.00938.02 P ATOM 60907 O1P A 9 17 153.653 56.846 -0.620 1.00938.02 O ATOM 60908 O2P A 9 17 154.732 55.529 1.300 1.00938.02 O ATOM 60909 O5* A 9 17 154.789 54.672 -1.048 1.00938.02 O ATOM 60910 C5* A 9 17 153.762 53.684 -0.983 1.00938.02 C ATOM 60911 C4* A 9 17 154.104 52.517 -1.879 1.00938.02 C ATOM 60912 O4* A 9 17 155.417 52.014 -1.520 1.00938.02 O ATOM 60913 C3* A 9 17 153.189 51.306 -1.765 1.00938.02 C ATOM 60914 O3* A 9 17 152.036 51.453 -2.590 1.00938.02 O ATOM 60915 C2* A 9 17 154.093 50.175 -2.239 1.00938.02 C ATOM 60916 O2* A 9 17 154.174 50.091 -3.648 1.00938.02 O ATOM 60917 C1* A 9 17 155.446 50.604 -1.659 1.00938.02 C ATOM 60918 N9 A 9 17 155.757 50.027 -0.348 1.00938.02 N ATOM 60919 C8 A 9 17 154.888 49.630 0.643 1.00938.02 C ATOM 60920 N7 A 9 17 155.484 49.155 1.709 1.00938.02 N ATOM 60921 C5 A 9 17 156.835 49.242 1.401 1.00938.02 C ATOM 60922 C6 A 9 17 157.991 48.899 2.124 1.00938.02 C ATOM 60923 N6 A 9 17 157.972 48.376 3.351 1.00938.02 N ATOM 60924 N1 A 9 17 159.187 49.113 1.532 1.00938.02 N ATOM 60925 C2 A 9 17 159.208 49.638 0.302 1.00938.02 C ATOM 60926 N3 A 9 17 158.192 50.001 -0.478 1.00938.02 N ATOM 60927 C4 A 9 17 157.018 49.774 0.139 1.00938.02 C ATOM 60928 P G 9 18 150.774 50.474 -2.387 1.00938.02 P ATOM 60929 O1P G 9 18 151.236 49.093 -2.690 1.00938.02 O ATOM 60930 O2P G 9 18 149.629 51.044 -3.141 1.00938.02 O ATOM 60931 O5* G 9 18 150.444 50.578 -0.831 1.00938.02 O ATOM 60932 C5* G 9 18 150.233 49.408 -0.042 1.00938.02 C ATOM 60933 C4* G 9 18 149.240 49.690 1.061 1.00938.02 C ATOM 60934 O4* G 9 18 149.759 50.744 1.917 1.00938.02 O ATOM 60935 C3* G 9 18 147.882 50.207 0.606 1.00938.02 C ATOM 60936 O3* G 9 18 147.013 49.134 0.258 1.00938.02 O ATOM 60937 C2* G 9 18 147.395 50.958 1.837 1.00938.02 C ATOM 60938 O2* G 9 18 146.863 50.110 2.835 1.00938.02 O ATOM 60939 C1* G 9 18 148.697 51.591 2.332 1.00938.02 C ATOM 60940 N9 G 9 18 148.931 52.928 1.785 1.00938.02 N ATOM 60941 C8 G 9 18 149.952 53.317 0.949 1.00938.02 C ATOM 60942 N7 G 9 18 149.894 54.578 0.621 1.00938.02 N ATOM 60943 C5 G 9 18 148.770 55.054 1.281 1.00938.02 C ATOM 60944 C6 G 9 18 148.199 56.352 1.305 1.00938.02 C ATOM 60945 O6 G 9 18 148.588 57.374 0.727 1.00938.02 O ATOM 60946 N1 G 9 18 147.059 56.396 2.101 1.00938.02 N ATOM 60947 C2 G 9 18 146.535 55.329 2.788 1.00938.02 C ATOM 60948 N2 G 9 18 145.428 55.573 3.504 1.00938.02 N ATOM 60949 N3 G 9 18 147.056 54.114 2.774 1.00938.02 N ATOM 60950 C4 G 9 18 148.164 54.048 2.006 1.00938.02 C ATOM 60951 P C 9 19 145.852 49.369 -0.832 1.00938.02 P ATOM 60952 O1P C 9 19 145.131 48.080 -0.990 1.00938.02 O ATOM 60953 O2P C 9 19 146.449 50.026 -2.022 1.00938.02 O ATOM 60954 O5* C 9 19 144.867 50.407 -0.131 1.00938.02 O ATOM 60955 C5* C 9 19 144.164 50.060 1.062 1.00938.02 C ATOM 60956 C4* C 9 19 143.141 51.121 1.400 1.00938.02 C ATOM 60957 O4* C 9 19 143.815 52.372 1.698 1.00938.02 O ATOM 60958 C3* C 9 19 142.163 51.482 0.294 1.00938.02 C ATOM 60959 O3* C 9 19 141.077 50.560 0.249 1.00938.02 O ATOM 60960 C2* C 9 19 141.708 52.878 0.710 1.00938.02 C ATOM 60961 O2* C 9 19 140.705 52.861 1.706 1.00938.02 O ATOM 60962 C1* C 9 19 143.002 53.461 1.287 1.00938.02 C ATOM 60963 N1 C 9 19 143.759 54.287 0.322 1.00938.02 N ATOM 60964 C2 C 9 19 143.470 55.662 0.230 1.00938.02 C ATOM 60965 O2 C 9 19 142.590 56.151 0.962 1.00938.02 O ATOM 60966 N3 C 9 19 144.156 56.421 -0.656 1.00938.02 N ATOM 60967 C4 C 9 19 145.092 55.866 -1.426 1.00938.02 C ATOM 60968 N4 C 9 19 145.743 56.655 -2.285 1.00938.02 N ATOM 60969 C5 C 9 19 145.407 54.477 -1.354 1.00938.02 C ATOM 60970 C6 C 9 19 144.723 53.732 -0.476 1.00938.02 C ATOM 60971 P A 9 20 140.323 50.287 -1.145 1.00938.02 P ATOM 60972 O1P A 9 20 139.266 49.274 -0.883 1.00938.02 O ATOM 60973 O2P A 9 20 141.343 50.023 -2.192 1.00938.02 O ATOM 60974 O5* A 9 20 139.614 51.676 -1.477 1.00938.02 O ATOM 60975 C5* A 9 20 138.555 52.171 -0.661 1.00938.02 C ATOM 60976 C4* A 9 20 138.200 53.585 -1.059 1.00938.02 C ATOM 60977 O4* A 9 20 139.336 54.456 -0.815 1.00938.02 O ATOM 60978 C3* A 9 20 137.876 53.799 -2.530 1.00938.02 C ATOM 60979 O3* A 9 20 136.518 53.478 -2.814 1.00938.02 O ATOM 60980 C2* A 9 20 138.160 55.286 -2.706 1.00938.02 C ATOM 60981 O2* A 9 20 137.105 56.111 -2.253 1.00938.02 O ATOM 60982 C1* A 9 20 139.386 55.468 -1.810 1.00938.02 C ATOM 60983 N9 A 9 20 140.653 55.349 -2.534 1.00938.02 N ATOM 60984 C8 A 9 20 141.552 54.307 -2.511 1.00938.02 C ATOM 60985 N7 A 9 20 142.600 54.498 -3.276 1.00938.02 N ATOM 60986 C5 A 9 20 142.381 55.746 -3.841 1.00938.02 C ATOM 60987 C6 A 9 20 143.127 56.520 -4.747 1.00938.02 C ATOM 60988 N6 A 9 20 144.296 56.132 -5.263 1.00938.02 N ATOM 60989 N1 A 9 20 142.626 57.721 -5.110 1.00938.02 N ATOM 60990 C2 A 9 20 141.455 58.108 -4.590 1.00938.02 C ATOM 60991 N3 A 9 20 140.660 57.473 -3.733 1.00938.02 N ATOM 60992 C4 A 9 20 141.185 56.284 -3.393 1.00938.02 C ATOM 60993 P C 9 21 136.101 53.024 -4.299 1.00938.02 P ATOM 60994 O1P C 9 21 134.642 52.742 -4.280 1.00938.02 O ATOM 60995 O2P C 9 21 137.044 51.971 -4.753 1.00938.02 O ATOM 60996 O5* C 9 21 136.346 54.328 -5.183 1.00938.02 O ATOM 60997 C5* C 9 21 135.550 55.497 -4.999 1.00938.02 C ATOM 60998 C4* C 9 21 135.939 56.565 -5.997 1.00938.02 C ATOM 60999 O4* C 9 21 137.297 57.009 -5.735 1.00938.02 O ATOM 61000 C3* C 9 21 135.962 56.138 -7.455 1.00938.02 C ATOM 61001 O3* C 9 21 134.658 56.189 -8.024 1.00938.02 O ATOM 61002 C2* C 9 21 136.899 57.168 -8.077 1.00938.02 C ATOM 61003 O2* C 9 21 136.260 58.397 -8.365 1.00938.02 O ATOM 61004 C1* C 9 21 137.924 57.368 -6.956 1.00938.02 C ATOM 61005 N1 C 9 21 139.152 56.563 -7.123 1.00938.02 N ATOM 61006 C2 C 9 21 140.191 57.068 -7.926 1.00938.02 C ATOM 61007 O2 C 9 21 140.052 58.174 -8.475 1.00938.02 O ATOM 61008 N3 C 9 21 141.319 56.335 -8.082 1.00938.02 N ATOM 61009 C4 C 9 21 141.436 55.150 -7.479 1.00938.02 C ATOM 61010 N4 C 9 21 142.567 54.466 -7.662 1.00938.02 N ATOM 61011 C5 C 9 21 140.398 54.615 -6.660 1.00938.02 C ATOM 61012 C6 C 9 21 139.287 55.346 -6.510 1.00938.02 C ATOM 61013 P U 9 22 134.296 55.244 -9.274 1.00938.02 P ATOM 61014 O1P U 9 22 132.845 55.416 -9.548 1.00938.02 O ATOM 61015 O2P U 9 22 134.834 53.884 -9.011 1.00938.02 O ATOM 61016 O5* U 9 22 135.114 55.879 -10.485 1.00938.02 O ATOM 61017 C5* U 9 22 134.781 57.167 -10.995 1.00938.02 C ATOM 61018 C4* U 9 22 135.799 57.609 -12.021 1.00938.02 C ATOM 61019 O4* U 9 22 137.093 57.766 -11.381 1.00938.02 O ATOM 61020 C3* U 9 22 136.062 56.636 -13.158 1.00938.02 C ATOM 61021 O3* U 9 22 135.091 56.772 -14.190 1.00938.02 O ATOM 61022 C2* U 9 22 137.453 57.054 -13.623 1.00938.02 C ATOM 61023 O2* U 9 22 137.440 58.185 -14.470 1.00938.02 O ATOM 61024 C1* U 9 22 138.122 57.409 -12.291 1.00938.02 C ATOM 61025 N1 U 9 22 138.904 56.304 -11.713 1.00938.02 N ATOM 61026 C2 U 9 22 140.230 56.172 -12.108 1.00938.02 C ATOM 61027 O2 U 9 22 140.767 56.927 -12.905 1.00938.02 O ATOM 61028 N3 U 9 22 140.903 55.121 -11.535 1.00938.02 N ATOM 61029 C4 U 9 22 140.407 54.207 -10.630 1.00938.02 C ATOM 61030 O4 U 9 22 141.145 53.316 -10.204 1.00938.02 O ATOM 61031 C5 U 9 22 139.037 54.407 -10.270 1.00938.02 C ATOM 61032 C6 U 9 22 138.351 55.421 -10.809 1.00938.02 C ATOM 61033 P G 9 23 134.784 55.532 -15.169 1.00938.02 P ATOM 61034 O1P G 9 23 133.641 55.926 -16.033 1.00938.02 O ATOM 61035 O2P G 9 23 134.691 54.295 -14.351 1.00938.02 O ATOM 61036 O5* G 9 23 136.088 55.431 -16.078 1.00938.02 O ATOM 61037 C5* G 9 23 136.414 56.463 -17.006 1.00938.02 C ATOM 61038 C4* G 9 23 137.790 56.234 -17.591 1.00938.02 C ATOM 61039 O4* G 9 23 138.784 56.311 -16.533 1.00938.02 O ATOM 61040 C3* G 9 23 138.030 54.874 -18.227 1.00938.02 C ATOM 61041 O3* G 9 23 137.547 54.840 -19.568 1.00938.02 O ATOM 61042 C2* G 9 23 139.548 54.758 -18.166 1.00938.02 C ATOM 61043 O2* G 9 23 140.203 55.466 -19.202 1.00938.02 O ATOM 61044 C1* G 9 23 139.851 55.420 -16.820 1.00938.02 C ATOM 61045 N9 G 9 23 139.978 54.466 -15.719 1.00938.02 N ATOM 61046 C8 G 9 23 139.076 54.235 -14.705 1.00938.02 C ATOM 61047 N7 G 9 23 139.475 53.319 -13.865 1.00938.02 N ATOM 61048 C5 G 9 23 140.714 52.921 -14.351 1.00938.02 C ATOM 61049 C6 G 9 23 141.629 51.953 -13.855 1.00938.02 C ATOM 61050 O6 G 9 23 141.524 51.232 -12.854 1.00938.02 O ATOM 61051 N1 G 9 23 142.762 51.867 -14.657 1.00938.02 N ATOM 61052 C2 G 9 23 142.992 52.614 -15.786 1.00938.02 C ATOM 61053 N2 G 9 23 144.149 52.383 -16.423 1.00938.02 N ATOM 61054 N3 G 9 23 142.149 53.516 -16.258 1.00938.02 N ATOM 61055 C4 G 9 23 141.039 53.618 -15.495 1.00938.02 C ATOM 61056 P U 9 24 137.186 53.427 -20.247 1.00938.02 P ATOM 61057 O1P U 9 24 136.630 53.718 -21.595 1.00938.02 O ATOM 61058 O2P U 9 24 136.388 52.628 -19.282 1.00938.02 O ATOM 61059 O5* U 9 24 138.601 52.715 -20.436 1.00938.02 O ATOM 61060 C5* U 9 24 139.594 53.277 -21.289 1.00938.02 C ATOM 61061 C4* U 9 24 140.885 52.497 -21.185 1.00938.02 C ATOM 61062 O4* U 9 24 141.396 52.585 -19.830 1.00938.02 O ATOM 61063 C3* U 9 24 140.784 51.003 -21.447 1.00938.02 C ATOM 61064 O3* U 9 24 140.823 50.720 -22.842 1.00938.02 O ATOM 61065 C2* U 9 24 142.014 50.468 -20.724 1.00938.02 C ATOM 61066 O2* U 9 24 143.206 50.613 -21.472 1.00938.02 O ATOM 61067 C1* U 9 24 142.061 51.375 -19.491 1.00938.02 C ATOM 61068 N1 U 9 24 141.417 50.788 -18.304 1.00938.02 N ATOM 61069 C2 U 9 24 142.155 49.892 -17.544 1.00938.02 C ATOM 61070 O2 U 9 24 143.305 49.575 -17.816 1.00938.02 O ATOM 61071 N3 U 9 24 141.500 49.380 -16.451 1.00938.02 N ATOM 61072 C4 U 9 24 140.211 49.662 -16.046 1.00938.02 C ATOM 61073 O4 U 9 24 139.761 49.120 -15.034 1.00938.02 O ATOM 61074 C5 U 9 24 139.514 50.592 -16.879 1.00938.02 C ATOM 61075 C6 U 9 24 140.123 51.110 -17.952 1.00938.02 C ATOM 61076 P G 9 25 140.193 49.347 -23.395 1.00938.02 P ATOM 61077 O1P G 9 25 140.320 49.370 -24.875 1.00938.02 O ATOM 61078 O2P G 9 25 138.856 49.159 -22.778 1.00938.02 O ATOM 61079 O5* G 9 25 141.169 48.223 -22.825 1.00938.02 O ATOM 61080 C5* G 9 25 142.514 48.121 -23.282 1.00938.02 C ATOM 61081 C4* G 9 25 143.205 46.941 -22.635 1.00938.02 C ATOM 61082 O4* G 9 25 143.326 47.171 -21.206 1.00938.02 O ATOM 61083 C3* G 9 25 142.481 45.610 -22.739 1.00938.02 C ATOM 61084 O3* G 9 25 142.749 44.980 -23.991 1.00938.02 O ATOM 61085 C2* G 9 25 143.070 44.831 -21.568 1.00938.02 C ATOM 61086 O2* G 9 25 144.328 44.256 -21.860 1.00938.02 O ATOM 61087 C1* G 9 25 143.236 45.933 -20.517 1.00938.02 C ATOM 61088 N9 G 9 25 142.134 46.009 -19.561 1.00938.02 N ATOM 61089 C8 G 9 25 141.006 46.792 -19.650 1.00938.02 C ATOM 61090 N7 G 9 25 140.197 46.647 -18.637 1.00938.02 N ATOM 61091 C5 G 9 25 140.827 45.710 -17.825 1.00938.02 C ATOM 61092 C6 G 9 25 140.426 45.153 -16.582 1.00938.02 C ATOM 61093 O6 G 9 25 139.405 45.384 -15.926 1.00938.02 O ATOM 61094 N1 G 9 25 141.362 44.240 -16.107 1.00938.02 N ATOM 61095 C2 G 9 25 142.530 43.902 -16.742 1.00938.02 C ATOM 61096 N2 G 9 25 143.301 42.996 -16.117 1.00938.02 N ATOM 61097 N3 G 9 25 142.916 44.414 -17.900 1.00938.02 N ATOM 61098 C4 G 9 25 142.024 45.304 -18.381 1.00938.02 C ATOM 61099 P G 9 26 141.539 44.335 -24.841 1.00938.02 P ATOM 61100 O1P G 9 26 141.887 44.494 -26.276 1.00938.02 O ATOM 61101 O2P G 9 26 140.249 44.872 -24.338 1.00938.02 O ATOM 61102 O5* G 9 26 141.596 42.779 -24.498 1.00938.02 O ATOM 61103 C5* G 9 26 141.977 42.325 -23.201 1.00938.02 C ATOM 61104 C4* G 9 26 141.348 40.986 -22.903 1.00938.02 C ATOM 61105 O4* G 9 26 141.835 40.522 -21.618 1.00938.02 O ATOM 61106 C3* G 9 26 139.832 40.990 -22.763 1.00938.02 C ATOM 61107 O3* G 9 26 139.208 40.821 -24.031 1.00938.02 O ATOM 61108 C2* G 9 26 139.585 39.793 -21.855 1.00938.02 C ATOM 61109 O2* G 9 26 139.598 38.560 -22.547 1.00938.02 O ATOM 61110 C1* G 9 26 140.790 39.871 -20.914 1.00938.02 C ATOM 61111 N9 G 9 26 140.537 40.615 -19.685 1.00938.02 N ATOM 61112 C8 G 9 26 140.286 41.963 -19.563 1.00938.02 C ATOM 61113 N7 G 9 26 140.099 42.341 -18.329 1.00938.02 N ATOM 61114 C5 G 9 26 140.237 41.176 -17.586 1.00938.02 C ATOM 61115 C6 G 9 26 140.142 40.960 -16.188 1.00938.02 C ATOM 61116 O6 G 9 26 139.911 41.785 -15.296 1.00938.02 O ATOM 61117 N1 G 9 26 140.348 39.625 -15.862 1.00938.02 N ATOM 61118 C2 G 9 26 140.613 38.623 -16.761 1.00938.02 C ATOM 61119 N2 G 9 26 140.785 37.396 -16.249 1.00938.02 N ATOM 61120 N3 G 9 26 140.703 38.810 -18.068 1.00938.02 N ATOM 61121 C4 G 9 26 140.506 40.101 -18.409 1.00938.02 C ATOM 61122 P A 9 27 137.779 41.504 -24.323 1.00938.02 P ATOM 61123 O1P A 9 27 138.028 42.718 -25.141 1.00938.02 O ATOM 61124 O2P A 9 27 137.028 41.620 -23.046 1.00938.02 O ATOM 61125 O5* A 9 27 137.031 40.436 -25.240 1.00938.02 O ATOM 61126 C5* A 9 27 137.698 39.822 -26.341 1.00938.02 C ATOM 61127 C4* A 9 27 138.014 38.382 -26.018 1.00938.02 C ATOM 61128 O4* A 9 27 136.780 37.663 -25.753 1.00938.02 O ATOM 61129 C3* A 9 27 138.675 37.586 -27.132 1.00938.02 C ATOM 61130 O3* A 9 27 140.083 37.789 -27.134 1.00938.02 O ATOM 61131 C2* A 9 27 138.320 36.152 -26.754 1.00938.02 C ATOM 61132 O2* A 9 27 139.161 35.619 -25.750 1.00938.02 O ATOM 61133 C1* A 9 27 136.903 36.322 -26.204 1.00938.02 C ATOM 61134 N9 A 9 27 135.860 36.065 -27.202 1.00938.02 N ATOM 61135 C8 A 9 27 135.067 36.976 -27.861 1.00938.02 C ATOM 61136 N7 A 9 27 134.225 36.431 -28.704 1.00938.02 N ATOM 61137 C5 A 9 27 134.478 35.070 -28.594 1.00938.02 C ATOM 61138 C6 A 9 27 133.917 33.948 -29.231 1.00938.02 C ATOM 61139 N6 A 9 27 132.940 34.024 -30.139 1.00938.02 N ATOM 61140 N1 A 9 27 134.395 32.732 -28.896 1.00938.02 N ATOM 61141 C2 A 9 27 135.373 32.655 -27.984 1.00938.02 C ATOM 61142 N3 A 9 27 135.981 33.633 -27.317 1.00938.02 N ATOM 61143 C4 A 9 27 135.483 34.829 -27.672 1.00938.02 C ATOM 61144 P A 9 28 140.902 37.682 -28.514 1.00938.02 P ATOM 61145 O1P A 9 28 140.820 39.006 -29.181 1.00938.02 O ATOM 61146 O2P A 9 28 140.448 36.467 -29.241 1.00938.02 O ATOM 61147 O5* A 9 28 142.409 37.456 -28.047 1.00938.02 O ATOM 61148 C5* A 9 28 143.373 36.885 -28.929 1.00938.02 C ATOM 61149 C4* A 9 28 144.348 36.031 -28.152 1.00938.02 C ATOM 61150 O4* A 9 28 145.113 36.869 -27.247 1.00938.02 O ATOM 61151 C3* A 9 28 143.728 34.972 -27.252 1.00938.02 C ATOM 61152 O3* A 9 28 143.433 33.791 -27.994 1.00938.02 O ATOM 61153 C2* A 9 28 144.826 34.741 -26.218 1.00938.02 C ATOM 61154 O2* A 9 28 145.840 33.865 -26.672 1.00938.02 O ATOM 61155 C1* A 9 28 145.397 36.152 -26.058 1.00938.02 C ATOM 61156 N9 A 9 28 144.839 36.895 -24.926 1.00938.02 N ATOM 61157 C8 A 9 28 143.588 37.455 -24.811 1.00938.02 C ATOM 61158 N7 A 9 28 143.384 38.060 -23.667 1.00938.02 N ATOM 61159 C5 A 9 28 144.578 37.891 -22.981 1.00938.02 C ATOM 61160 C6 A 9 28 145.003 38.302 -21.705 1.00938.02 C ATOM 61161 N6 A 9 28 144.240 38.998 -20.859 1.00938.02 N ATOM 61162 N1 A 9 28 146.256 37.969 -21.322 1.00938.02 N ATOM 61163 C2 A 9 28 147.019 37.272 -22.171 1.00938.02 C ATOM 61164 N3 A 9 28 146.734 36.827 -23.394 1.00938.02 N ATOM 61165 C4 A 9 28 145.483 37.174 -23.743 1.00938.02 C ATOM 61166 P C 9 29 142.031 33.031 -27.771 1.00938.02 P ATOM 61167 O1P C 9 29 141.714 32.340 -29.046 1.00938.02 O ATOM 61168 O2P C 9 29 141.046 33.987 -27.193 1.00938.02 O ATOM 61169 O5* C 9 29 142.362 31.913 -26.686 1.00938.02 O ATOM 61170 C5* C 9 29 142.056 32.102 -25.305 1.00938.02 C ATOM 61171 C4* C 9 29 142.453 30.878 -24.513 1.00938.02 C ATOM 61172 O4* C 9 29 143.870 30.623 -24.713 1.00938.02 O ATOM 61173 C3* C 9 29 142.296 30.986 -23.004 1.00938.02 C ATOM 61174 O3* C 9 29 140.967 30.658 -22.602 1.00938.02 O ATOM 61175 C2* C 9 29 143.305 29.959 -22.500 1.00938.02 C ATOM 61176 O2* C 9 29 142.817 28.633 -22.541 1.00938.02 O ATOM 61177 C1* C 9 29 144.439 30.124 -23.514 1.00938.02 C ATOM 61178 N1 C 9 29 145.499 31.052 -23.069 1.00938.02 N ATOM 61179 C2 C 9 29 146.579 30.546 -22.325 1.00938.02 C ATOM 61180 O2 C 9 29 146.620 29.331 -22.063 1.00938.02 O ATOM 61181 N3 C 9 29 147.551 31.391 -21.913 1.00938.02 N ATOM 61182 C4 C 9 29 147.477 32.691 -22.212 1.00938.02 C ATOM 61183 N4 C 9 29 148.458 33.488 -21.783 1.00938.02 N ATOM 61184 C5 C 9 29 146.394 33.231 -22.966 1.00938.02 C ATOM 61185 C6 C 9 29 145.438 32.386 -23.369 1.00938.02 C ATOM 61186 P C 9 30 140.363 31.281 -21.249 1.00938.02 P ATOM 61187 O1P C 9 30 139.040 30.643 -21.025 1.00938.02 O ATOM 61188 O2P C 9 30 140.458 32.762 -21.330 1.00938.02 O ATOM 61189 O5* C 9 30 141.357 30.775 -20.111 1.00938.02 O ATOM 61190 C5* C 9 30 141.137 31.106 -18.740 1.00938.02 C ATOM 61191 C4* C 9 30 142.412 30.912 -17.951 1.00938.02 C ATOM 61192 O4* C 9 30 143.453 31.749 -18.525 1.00938.02 O ATOM 61193 C3* C 9 30 142.365 31.325 -16.487 1.00938.02 C ATOM 61194 O3* C 9 30 141.832 30.283 -15.671 1.00938.02 O ATOM 61195 C2* C 9 30 143.833 31.600 -16.186 1.00938.02 C ATOM 61196 O2* C 9 30 144.580 30.423 -15.945 1.00938.02 O ATOM 61197 C1* C 9 30 144.291 32.250 -17.493 1.00938.02 C ATOM 61198 N1 C 9 30 144.191 33.723 -17.472 1.00938.02 N ATOM 61199 C2 C 9 30 145.242 34.468 -16.906 1.00938.02 C ATOM 61200 O2 C 9 30 146.230 33.868 -16.447 1.00938.02 O ATOM 61201 N3 C 9 30 145.152 35.816 -16.874 1.00938.02 N ATOM 61202 C4 C 9 30 144.077 36.427 -17.377 1.00938.02 C ATOM 61203 N4 C 9 30 144.033 37.759 -17.322 1.00938.02 N ATOM 61204 C5 C 9 30 142.999 35.698 -17.957 1.00938.02 C ATOM 61205 C6 C 9 30 143.097 34.364 -17.985 1.00938.02 C ATOM 61206 P A 9 31 141.611 30.532 -14.093 1.00938.02 P ATOM 61207 O1P A 9 31 142.956 30.681 -13.478 1.00938.02 O ATOM 61208 O2P A 9 31 140.689 29.487 -13.588 1.00938.02 O ATOM 61209 O5* A 9 31 140.861 31.939 -14.014 1.00938.02 O ATOM 61210 C5* A 9 31 141.090 32.828 -12.921 1.00938.02 C ATOM 61211 C4* A 9 31 140.132 33.997 -12.982 1.00938.02 C ATOM 61212 O4* A 9 31 140.323 34.710 -14.232 1.00938.02 O ATOM 61213 C3* A 9 31 138.650 33.647 -12.968 1.00938.02 C ATOM 61214 O3* A 9 31 138.192 33.472 -11.631 1.00938.02 O ATOM 61215 C2* A 9 31 138.024 34.870 -13.630 1.00938.02 C ATOM 61216 O2* A 9 31 137.859 35.959 -12.744 1.00938.02 O ATOM 61217 C1* A 9 31 139.079 35.223 -14.684 1.00938.02 C ATOM 61218 N9 A 9 31 138.804 34.675 -16.015 1.00938.02 N ATOM 61219 C8 A 9 31 139.546 33.769 -16.732 1.00938.02 C ATOM 61220 N7 A 9 31 139.039 33.480 -17.908 1.00938.02 N ATOM 61221 C5 A 9 31 137.884 34.248 -17.969 1.00938.02 C ATOM 61222 C6 A 9 31 136.897 34.393 -18.962 1.00938.02 C ATOM 61223 N6 A 9 31 136.916 33.747 -20.131 1.00938.02 N ATOM 61224 N1 A 9 31 135.873 35.237 -18.706 1.00938.02 N ATOM 61225 C2 A 9 31 135.853 35.885 -17.537 1.00938.02 C ATOM 61226 N3 A 9 31 136.720 35.834 -16.531 1.00938.02 N ATOM 61227 C4 A 9 31 137.724 34.987 -16.811 1.00938.02 C ATOM 61228 P C 9 32 136.855 32.622 -11.346 1.00938.02 P ATOM 61229 O1P C 9 32 136.804 32.363 -9.884 1.00938.02 O ATOM 61230 O2P C 9 32 136.804 31.480 -12.295 1.00938.02 O ATOM 61231 O5* C 9 32 135.674 33.627 -11.711 1.00938.02 O ATOM 61232 C5* C 9 32 135.519 34.864 -11.017 1.00938.02 C ATOM 61233 C4* C 9 32 134.398 35.674 -11.628 1.00938.02 C ATOM 61234 O4* C 9 32 134.719 35.962 -13.013 1.00938.02 O ATOM 61235 C3* C 9 32 133.043 34.981 -11.688 1.00938.02 C ATOM 61236 O3* C 9 32 132.331 35.153 -10.467 1.00938.02 O ATOM 61237 C2* C 9 32 132.360 35.712 -12.839 1.00938.02 C ATOM 61238 O2* C 9 32 131.807 36.956 -12.460 1.00938.02 O ATOM 61239 C1* C 9 32 133.534 35.940 -13.795 1.00938.02 C ATOM 61240 N1 C 9 32 133.666 34.892 -14.830 1.00938.02 N ATOM 61241 C2 C 9 32 132.874 34.979 -15.989 1.00938.02 C ATOM 61242 O2 C 9 32 132.084 35.931 -16.117 1.00938.02 O ATOM 61243 N3 C 9 32 132.991 34.024 -16.939 1.00938.02 N ATOM 61244 C4 C 9 32 133.848 33.014 -16.771 1.00938.02 C ATOM 61245 N4 C 9 32 133.929 32.096 -17.736 1.00938.02 N ATOM 61246 C5 C 9 32 134.662 32.901 -15.607 1.00938.02 C ATOM 61247 C6 C 9 32 134.540 33.852 -14.671 1.00938.02 C ATOM 61248 P C 9 33 131.617 33.888 -9.772 1.00938.02 P ATOM 61249 O1P C 9 33 130.716 34.414 -8.714 1.00938.02 O ATOM 61250 O2P C 9 33 132.667 32.902 -9.415 1.00938.02 O ATOM 61251 O5* C 9 33 130.714 33.258 -10.926 1.00938.02 O ATOM 61252 C5* C 9 33 129.758 34.049 -11.627 1.00938.02 C ATOM 61253 C4* C 9 33 129.337 33.352 -12.902 1.00938.02 C ATOM 61254 O4* C 9 33 130.507 33.144 -13.737 1.00938.02 O ATOM 61255 C3* C 9 33 128.741 31.963 -12.727 1.00938.02 C ATOM 61256 O3* C 9 33 127.346 32.043 -12.452 1.00938.02 O ATOM 61257 C2* C 9 33 129.024 31.317 -14.079 1.00938.02 C ATOM 61258 O2* C 9 33 128.099 31.693 -15.080 1.00938.02 O ATOM 61259 C1* C 9 33 130.404 31.894 -14.407 1.00938.02 C ATOM 61260 N1 C 9 33 131.525 31.032 -13.976 1.00938.02 N ATOM 61261 C2 C 9 33 131.934 29.976 -14.810 1.00938.02 C ATOM 61262 O2 C 9 33 131.344 29.790 -15.890 1.00938.02 O ATOM 61263 N3 C 9 33 132.959 29.185 -14.419 1.00938.02 N ATOM 61264 C4 C 9 33 133.569 29.410 -13.253 1.00938.02 C ATOM 61265 N4 C 9 33 134.575 28.603 -12.909 1.00938.02 N ATOM 61266 C5 C 9 33 133.177 30.472 -12.387 1.00938.02 C ATOM 61267 C6 C 9 33 132.162 31.249 -12.782 1.00938.02 C ATOM 61268 P C 9 34 126.607 30.823 -11.708 1.00938.02 P ATOM 61269 O1P C 9 34 125.232 31.276 -11.381 1.00938.02 O ATOM 61270 O2P C 9 34 127.490 30.320 -10.625 1.00938.02 O ATOM 61271 O5* C 9 34 126.505 29.694 -12.830 1.00938.02 O ATOM 61272 C5* C 9 34 125.717 29.896 -14.003 1.00938.02 C ATOM 61273 C4* C 9 34 125.798 28.686 -14.907 1.00938.02 C ATOM 61274 O4* C 9 34 127.167 28.510 -15.353 1.00938.02 O ATOM 61275 C3* C 9 34 125.434 27.356 -14.266 1.00938.02 C ATOM 61276 O3* C 9 34 124.022 27.152 -14.288 1.00938.02 O ATOM 61277 C2* C 9 34 126.169 26.359 -15.156 1.00938.02 C ATOM 61278 O2* C 9 34 125.483 26.071 -16.356 1.00938.02 O ATOM 61279 C1* C 9 34 127.458 27.124 -15.468 1.00938.02 C ATOM 61280 N1 C 9 34 128.582 26.797 -14.565 1.00938.02 N ATOM 61281 C2 C 9 34 129.386 25.682 -14.856 1.00938.02 C ATOM 61282 O2 C 9 34 129.133 24.998 -15.862 1.00938.02 O ATOM 61283 N3 C 9 34 130.415 25.376 -14.031 1.00938.02 N ATOM 61284 C4 C 9 34 130.655 26.133 -12.958 1.00938.02 C ATOM 61285 N4 C 9 34 131.682 25.793 -12.174 1.00938.02 N ATOM 61286 C5 C 9 34 129.858 27.268 -12.638 1.00938.02 C ATOM 61287 C6 C 9 34 128.841 27.561 -13.458 1.00938.02 C ATOM 61288 P C 9 35 123.317 26.320 -13.106 1.00938.02 P ATOM 61289 O1P C 9 35 121.853 26.548 -13.222 1.00938.02 O ATOM 61290 O2P C 9 35 124.005 26.630 -11.827 1.00938.02 O ATOM 61291 O5* C 9 35 123.614 24.797 -13.472 1.00938.02 O ATOM 61292 C5* C 9 35 123.029 24.191 -14.622 1.00938.02 C ATOM 61293 C4* C 9 35 123.692 22.863 -14.914 1.00938.02 C ATOM 61294 O4* C 9 35 125.100 23.090 -15.186 1.00938.02 O ATOM 61295 C3* C 9 35 123.683 21.854 -13.774 1.00938.02 C ATOM 61296 O3* C 9 35 122.476 21.098 -13.771 1.00938.02 O ATOM 61297 C2* C 9 35 124.891 20.984 -14.105 1.00938.02 C ATOM 61298 O2* C 9 35 124.617 20.010 -15.095 1.00938.02 O ATOM 61299 C1* C 9 35 125.871 22.022 -14.657 1.00938.02 C ATOM 61300 N1 C 9 35 126.798 22.562 -13.642 1.00938.02 N ATOM 61301 C2 C 9 35 127.988 21.866 -13.369 1.00938.02 C ATOM 61302 O2 C 9 35 128.229 20.810 -13.980 1.00938.02 O ATOM 61303 N3 C 9 35 128.842 22.361 -12.441 1.00938.02 N ATOM 61304 C4 C 9 35 128.551 23.492 -11.799 1.00938.02 C ATOM 61305 N4 C 9 35 129.426 23.940 -10.894 1.00938.02 N ATOM 61306 C5 C 9 35 127.351 24.217 -12.056 1.00938.02 C ATOM 61307 C6 C 9 35 126.512 23.723 -12.975 1.00938.02 C ATOM 61308 P A 9 36 121.861 20.576 -12.379 1.00938.02 P ATOM 61309 O1P A 9 36 120.705 19.705 -12.706 1.00938.02 O ATOM 61310 O2P A 9 36 121.665 21.746 -11.484 1.00938.02 O ATOM 61311 O5* A 9 36 123.011 19.663 -11.758 1.00938.02 O ATOM 61312 C5* A 9 36 123.450 18.479 -12.423 1.00938.02 C ATOM 61313 C4* A 9 36 124.708 17.949 -11.774 1.00938.02 C ATOM 61314 O4* A 9 36 125.749 18.958 -11.865 1.00938.02 O ATOM 61315 C3* A 9 36 124.607 17.641 -10.289 1.00938.02 C ATOM 61316 O3* A 9 36 124.104 16.325 -10.075 1.00938.02 O ATOM 61317 C2* A 9 36 126.056 17.760 -9.833 1.00938.02 C ATOM 61318 O2* A 9 36 126.823 16.604 -10.109 1.00938.02 O ATOM 61319 C1* A 9 36 126.551 18.925 -10.695 1.00938.02 C ATOM 61320 N9 A 9 36 126.454 20.224 -10.027 1.00938.02 N ATOM 61321 C8 A 9 36 125.459 21.167 -10.137 1.00938.02 C ATOM 61322 N7 A 9 36 125.660 22.236 -9.407 1.00938.02 N ATOM 61323 C5 A 9 36 126.866 21.986 -8.771 1.00938.02 C ATOM 61324 C6 A 9 36 127.629 22.735 -7.859 1.00938.02 C ATOM 61325 N6 A 9 36 127.271 23.940 -7.413 1.00938.02 N ATOM 61326 N1 A 9 36 128.787 22.197 -7.415 1.00938.02 N ATOM 61327 C2 A 9 36 129.143 20.989 -7.865 1.00938.02 C ATOM 61328 N3 A 9 36 128.514 20.186 -8.721 1.00938.02 N ATOM 61329 C4 A 9 36 127.368 20.749 -9.144 1.00938.02 C ATOM 61330 P C 9 37 123.153 16.030 -8.813 1.00938.02 P ATOM 61331 O1P C 9 37 121.811 16.584 -9.130 1.00938.02 O ATOM 61332 O2P C 9 37 123.854 16.470 -7.579 1.00938.02 O ATOM 61333 O5* C 9 37 123.042 14.440 -8.784 1.00938.02 O ATOM 61334 C5* C 9 37 122.090 13.783 -7.951 1.00938.02 C ATOM 61335 C4* C 9 37 122.399 12.306 -7.865 1.00938.02 C ATOM 61336 O4* C 9 37 122.380 11.739 -9.202 1.00938.02 O ATOM 61337 C3* C 9 37 123.777 11.954 -7.327 1.00938.02 C ATOM 61338 O3* C 9 37 123.773 11.913 -5.902 1.00938.02 O ATOM 61339 C2* C 9 37 124.015 10.574 -7.930 1.00938.02 C ATOM 61340 O2* C 9 37 123.371 9.537 -7.217 1.00938.02 O ATOM 61341 C1* C 9 37 123.372 10.731 -9.311 1.00938.02 C ATOM 61342 N1 C 9 37 124.332 11.118 -10.367 1.00938.02 N ATOM 61343 C2 C 9 37 125.058 10.110 -11.026 1.00938.02 C ATOM 61344 O2 C 9 37 124.874 8.923 -10.709 1.00938.02 O ATOM 61345 N3 C 9 37 125.939 10.458 -11.992 1.00938.02 N ATOM 61346 C4 C 9 37 126.114 11.742 -12.309 1.00938.02 C ATOM 61347 N4 C 9 37 126.994 12.036 -13.267 1.00938.02 N ATOM 61348 C5 C 9 37 125.389 12.783 -11.657 1.00938.02 C ATOM 61349 C6 C 9 37 124.519 12.431 -10.703 1.00938.02 C ATOM 61350 P C 9 38 125.099 12.319 -5.086 1.00938.02 P ATOM 61351 O1P C 9 38 124.804 12.127 -3.643 1.00938.02 O ATOM 61352 O2P C 9 38 125.560 13.647 -5.569 1.00938.02 O ATOM 61353 O5* C 9 38 126.177 11.229 -5.523 1.00938.02 O ATOM 61354 C5* C 9 38 125.957 9.839 -5.282 1.00938.02 C ATOM 61355 C4* C 9 38 127.160 9.033 -5.713 1.00938.02 C ATOM 61356 O4* C 9 38 127.378 9.225 -7.137 1.00938.02 O ATOM 61357 C3* C 9 38 128.483 9.428 -5.074 1.00938.02 C ATOM 61358 O3* C 9 38 128.647 8.792 -3.811 1.00938.02 O ATOM 61359 C2* C 9 38 129.497 8.935 -6.098 1.00938.02 C ATOM 61360 O2* C 9 38 129.759 7.548 -5.999 1.00938.02 O ATOM 61361 C1* C 9 38 128.771 9.234 -7.413 1.00938.02 C ATOM 61362 N1 C 9 38 129.132 10.540 -8.003 1.00938.02 N ATOM 61363 C2 C 9 38 130.252 10.616 -8.849 1.00938.02 C ATOM 61364 O2 C 9 38 130.909 9.589 -9.083 1.00938.02 O ATOM 61365 N3 C 9 38 130.589 11.810 -9.391 1.00938.02 N ATOM 61366 C4 C 9 38 129.861 12.897 -9.118 1.00938.02 C ATOM 61367 N4 C 9 38 130.232 14.051 -9.676 1.00938.02 N ATOM 61368 C5 C 9 38 128.721 12.847 -8.266 1.00938.02 C ATOM 61369 C6 C 9 38 128.396 11.661 -7.736 1.00938.02 C ATOM 61370 P C 9 39 129.533 9.497 -2.670 1.00938.02 P ATOM 61371 O1P C 9 39 129.421 8.664 -1.447 1.00938.02 O ATOM 61372 O2P C 9 39 129.166 10.937 -2.611 1.00938.02 O ATOM 61373 O5* C 9 39 131.025 9.388 -3.219 1.00938.02 O ATOM 61374 C5* C 9 39 131.718 8.140 -3.221 1.00938.02 C ATOM 61375 C4* C 9 39 133.185 8.353 -3.511 1.00938.02 C ATOM 61376 O4* C 9 39 133.342 8.856 -4.864 1.00938.02 O ATOM 61377 C3* C 9 39 133.884 9.385 -2.639 1.00938.02 C ATOM 61378 O3* C 9 39 134.318 8.804 -1.412 1.00938.02 O ATOM 61379 C2* C 9 39 135.059 9.809 -3.515 1.00938.02 C ATOM 61380 O2* C 9 39 136.148 8.908 -3.452 1.00938.02 O ATOM 61381 C1* C 9 39 134.431 9.767 -4.911 1.00938.02 C ATOM 61382 N1 C 9 39 133.937 11.076 -5.382 1.00938.02 N ATOM 61383 C2 C 9 39 134.831 11.949 -6.027 1.00938.02 C ATOM 61384 O2 C 9 39 136.014 11.598 -6.184 1.00938.02 O ATOM 61385 N3 C 9 39 134.385 13.149 -6.462 1.00938.02 N ATOM 61386 C4 C 9 39 133.107 13.493 -6.278 1.00938.02 C ATOM 61387 N4 C 9 39 132.712 14.688 -6.724 1.00938.02 N ATOM 61388 C5 C 9 39 132.180 12.629 -5.628 1.00938.02 C ATOM 61389 C6 C 9 39 132.631 11.444 -5.199 1.00938.02 C ATOM 61390 P C 9 40 133.878 9.470 -0.015 1.00938.02 P ATOM 61391 O1P C 9 40 134.601 8.748 1.064 1.00938.02 O ATOM 61392 O2P C 9 40 132.394 9.542 0.020 1.00938.02 O ATOM 61393 O5* C 9 40 134.444 10.957 -0.094 1.00938.02 O ATOM 61394 C5* C 9 40 135.844 11.219 0.010 1.00938.02 C ATOM 61395 C4* C 9 40 136.114 12.699 -0.141 1.00938.02 C ATOM 61396 O4* C 9 40 135.713 13.123 -1.471 1.00938.02 O ATOM 61397 C3* C 9 40 135.339 13.611 0.796 1.00938.02 C ATOM 61398 O3* C 9 40 135.999 13.735 2.052 1.00938.02 O ATOM 61399 C2* C 9 40 135.330 14.930 0.030 1.00938.02 C ATOM 61400 O2* C 9 40 136.531 15.663 0.173 1.00938.02 O ATOM 61401 C1* C 9 40 135.189 14.441 -1.414 1.00938.02 C ATOM 61402 N1 C 9 40 133.794 14.421 -1.900 1.00938.02 N ATOM 61403 C2 C 9 40 133.263 15.580 -2.491 1.00938.02 C ATOM 61404 O2 C 9 40 133.978 16.590 -2.594 1.00938.02 O ATOM 61405 N3 C 9 40 131.985 15.568 -2.936 1.00938.02 N ATOM 61406 C4 C 9 40 131.245 14.463 -2.809 1.00938.02 C ATOM 61407 N4 C 9 40 129.990 14.500 -3.263 1.00938.02 N ATOM 61408 C5 C 9 40 131.756 13.276 -2.213 1.00938.02 C ATOM 61409 C6 C 9 40 133.022 13.297 -1.777 1.00938.02 C ATOM 61410 P A 9 41 135.132 13.821 3.406 1.00938.02 P ATOM 61411 O1P A 9 41 136.082 14.042 4.525 1.00938.02 O ATOM 61412 O2P A 9 41 134.211 12.658 3.447 1.00938.02 O ATOM 61413 O5* A 9 41 134.258 15.143 3.229 1.00938.02 O ATOM 61414 C5* A 9 41 134.875 16.422 3.102 1.00938.02 C ATOM 61415 C4* A 9 41 133.877 17.440 2.597 1.00938.02 C ATOM 61416 O4* A 9 41 133.386 17.016 1.299 1.00938.02 O ATOM 61417 C3* A 9 41 132.623 17.611 3.440 1.00938.02 C ATOM 61418 O3* A 9 41 132.838 18.542 4.498 1.00938.02 O ATOM 61419 C2* A 9 41 131.622 18.146 2.423 1.00938.02 C ATOM 61420 O2* A 9 41 131.760 19.533 2.184 1.00938.02 O ATOM 61421 C1* A 9 41 132.017 17.366 1.168 1.00938.02 C ATOM 61422 N9 A 9 41 131.241 16.136 0.979 1.00938.02 N ATOM 61423 C8 A 9 41 131.500 14.885 1.487 1.00938.02 C ATOM 61424 N7 A 9 41 130.614 13.982 1.142 1.00938.02 N ATOM 61425 C5 A 9 41 129.714 14.684 0.353 1.00938.02 C ATOM 61426 C6 A 9 41 128.542 14.291 -0.320 1.00938.02 C ATOM 61427 N6 A 9 41 128.061 13.046 -0.306 1.00938.02 N ATOM 61428 N1 A 9 41 127.875 15.235 -1.018 1.00938.02 N ATOM 61429 C2 A 9 41 128.358 16.484 -1.032 1.00938.02 C ATOM 61430 N3 A 9 41 129.446 16.973 -0.441 1.00938.02 N ATOM 61431 C4 A 9 41 130.087 16.011 0.245 1.00938.02 C ATOM 61432 P U 9 42 132.039 18.378 5.887 1.00938.02 P ATOM 61433 O1P U 9 42 133.049 18.111 6.943 1.00938.02 O ATOM 61434 O2P U 9 42 130.910 17.429 5.696 1.00938.02 O ATOM 61435 O5* U 9 42 131.424 19.826 6.149 1.00938.02 O ATOM 61436 C5* U 9 42 132.257 20.984 6.165 1.00938.02 C ATOM 61437 C4* U 9 42 131.589 22.119 5.422 1.00938.02 C ATOM 61438 O4* U 9 42 131.326 21.696 4.056 1.00938.02 O ATOM 61439 C3* U 9 42 130.229 22.554 5.948 1.00938.02 C ATOM 61440 O3* U 9 42 130.365 23.499 7.008 1.00938.02 O ATOM 61441 C2* U 9 42 129.593 23.182 4.714 1.00938.02 C ATOM 61442 O2* U 9 42 130.027 24.507 4.475 1.00938.02 O ATOM 61443 C1* U 9 42 130.104 22.262 3.605 1.00938.02 C ATOM 61444 N1 U 9 42 129.172 21.172 3.271 1.00938.02 N ATOM 61445 C2 U 9 42 128.255 21.394 2.254 1.00938.02 C ATOM 61446 O2 U 9 42 128.190 22.442 1.628 1.00938.02 O ATOM 61447 N3 U 9 42 127.412 20.341 1.996 1.00938.02 N ATOM 61448 C4 U 9 42 127.388 19.117 2.631 1.00938.02 C ATOM 61449 O4 U 9 42 126.565 18.269 2.283 1.00938.02 O ATOM 61450 C5 U 9 42 128.364 18.964 3.668 1.00938.02 C ATOM 61451 C6 U 9 42 129.201 19.969 3.945 1.00938.02 C ATOM 61452 P G 9 43 129.087 23.884 7.910 1.00938.02 P ATOM 61453 O1P G 9 43 127.879 23.260 7.308 1.00938.02 O ATOM 61454 O2P G 9 43 129.116 25.352 8.129 1.00938.02 O ATOM 61455 O5* G 9 43 129.357 23.176 9.313 1.00938.02 O ATOM 61456 C5* G 9 43 129.792 21.819 9.388 1.00938.02 C ATOM 61457 C4* G 9 43 129.250 21.166 10.639 1.00938.02 C ATOM 61458 O4* G 9 43 129.639 21.963 11.790 1.00938.02 O ATOM 61459 C3* G 9 43 127.732 21.091 10.724 1.00938.02 C ATOM 61460 O3* G 9 43 127.253 19.910 10.086 1.00938.02 O ATOM 61461 C2* G 9 43 127.491 21.038 12.229 1.00938.02 C ATOM 61462 O2* G 9 43 127.666 19.747 12.776 1.00938.02 O ATOM 61463 C1* G 9 43 128.591 21.969 12.746 1.00938.02 C ATOM 61464 N9 G 9 43 128.151 23.349 12.936 1.00938.02 N ATOM 61465 C8 G 9 43 127.971 24.308 11.967 1.00938.02 C ATOM 61466 N7 G 9 43 127.567 25.452 12.445 1.00938.02 N ATOM 61467 C5 G 9 43 127.474 25.239 13.812 1.00938.02 C ATOM 61468 C6 G 9 43 127.085 26.122 14.855 1.00938.02 C ATOM 61469 O6 G 9 43 126.734 27.307 14.773 1.00938.02 O ATOM 61470 N1 G 9 43 127.133 25.497 16.097 1.00938.02 N ATOM 61471 C2 G 9 43 127.504 24.194 16.312 1.00938.02 C ATOM 61472 N2 G 9 43 127.485 23.776 17.585 1.00938.02 N ATOM 61473 N3 G 9 43 127.869 23.362 15.351 1.00938.02 N ATOM 61474 C4 G 9 43 127.829 23.947 14.135 1.00938.02 C ATOM 61475 P C 9 44 126.380 20.021 8.740 1.00938.02 P ATOM 61476 O1P C 9 44 125.857 18.660 8.448 1.00938.02 O ATOM 61477 O2P C 9 44 127.193 20.724 7.717 1.00938.02 O ATOM 61478 O5* C 9 44 125.157 20.964 9.138 1.00938.02 O ATOM 61479 C5* C 9 44 123.882 20.417 9.480 1.00938.02 C ATOM 61480 C4* C 9 44 122.773 21.294 8.946 1.00938.02 C ATOM 61481 O4* C 9 44 122.815 22.584 9.611 1.00938.02 O ATOM 61482 C3* C 9 44 122.856 21.628 7.465 1.00938.02 C ATOM 61483 O3* C 9 44 122.276 20.598 6.669 1.00938.02 O ATOM 61484 C2* C 9 44 122.058 22.925 7.380 1.00938.02 C ATOM 61485 O2* C 9 44 120.661 22.716 7.337 1.00938.02 O ATOM 61486 C1* C 9 44 122.444 23.605 8.696 1.00938.02 C ATOM 61487 N1 C 9 44 123.563 24.561 8.567 1.00938.02 N ATOM 61488 C2 C 9 44 123.303 25.851 8.076 1.00938.02 C ATOM 61489 O2 C 9 44 122.141 26.158 7.761 1.00938.02 O ATOM 61490 N3 C 9 44 124.325 26.730 7.956 1.00938.02 N ATOM 61491 C4 C 9 44 125.563 26.367 8.303 1.00938.02 C ATOM 61492 N4 C 9 44 126.539 27.268 8.169 1.00938.02 N ATOM 61493 C5 C 9 44 125.855 25.065 8.803 1.00938.02 C ATOM 61494 C6 C 9 44 124.837 24.203 8.917 1.00938.02 C ATOM 61495 P C 9 45 122.852 20.309 5.196 1.00938.02 P ATOM 61496 O1P C 9 45 121.987 19.271 4.581 1.00938.02 O ATOM 61497 O2P C 9 45 124.316 20.072 5.303 1.00938.02 O ATOM 61498 O5* C 9 45 122.617 21.676 4.413 1.00938.02 O ATOM 61499 C5* C 9 45 123.220 21.907 3.140 1.00938.02 C ATOM 61500 C4* C 9 45 122.680 23.176 2.528 1.00938.02 C ATOM 61501 O4* C 9 45 122.891 24.284 3.444 1.00938.02 O ATOM 61502 C3* C 9 45 123.365 23.616 1.243 1.00938.02 C ATOM 61503 O3* C 9 45 122.808 22.960 0.110 1.00938.02 O ATOM 61504 C2* C 9 45 123.081 25.113 1.223 1.00938.02 C ATOM 61505 O2* C 9 45 121.789 25.427 0.741 1.00938.02 O ATOM 61506 C1* C 9 45 123.177 25.463 2.709 1.00938.02 C ATOM 61507 N1 C 9 45 124.508 25.964 3.113 1.00938.02 N ATOM 61508 C2 C 9 45 124.782 27.337 2.990 1.00938.02 C ATOM 61509 O2 C 9 45 123.902 28.097 2.551 1.00938.02 O ATOM 61510 N3 C 9 45 126.000 27.802 3.357 1.00938.02 N ATOM 61511 C4 C 9 45 126.923 26.959 3.826 1.00938.02 C ATOM 61512 N4 C 9 45 128.108 27.465 4.175 1.00938.02 N ATOM 61513 C5 C 9 45 126.672 25.562 3.963 1.00938.02 C ATOM 61514 C6 C 9 45 125.463 25.112 3.598 1.00938.02 C ATOM 61515 P G 9 46 123.760 22.120 -0.880 1.00938.02 P ATOM 61516 O1P G 9 46 122.886 21.542 -1.932 1.00938.02 O ATOM 61517 O2P G 9 46 124.616 21.219 -0.063 1.00938.02 O ATOM 61518 O5* G 9 46 124.693 23.214 -1.572 1.00938.02 O ATOM 61519 C5* G 9 46 125.709 23.892 -0.833 1.00938.02 C ATOM 61520 C4* G 9 46 127.032 23.810 -1.560 1.00938.02 C ATOM 61521 O4* G 9 46 127.435 22.419 -1.660 1.00938.02 O ATOM 61522 C3* G 9 46 127.032 24.309 -2.999 1.00938.02 C ATOM 61523 O3* G 9 46 127.238 25.717 -3.043 1.00938.02 O ATOM 61524 C2* G 9 46 128.212 23.552 -3.603 1.00938.02 C ATOM 61525 O2* G 9 46 129.460 24.153 -3.320 1.00938.02 O ATOM 61526 C1* G 9 46 128.114 22.204 -2.885 1.00938.02 C ATOM 61527 N9 G 9 46 127.393 21.183 -3.641 1.00938.02 N ATOM 61528 C8 G 9 46 126.033 21.078 -3.814 1.00938.02 C ATOM 61529 N7 G 9 46 125.685 20.053 -4.541 1.00938.02 N ATOM 61530 C5 G 9 46 126.886 19.442 -4.871 1.00938.02 C ATOM 61531 C6 G 9 46 127.144 18.282 -5.648 1.00938.02 C ATOM 61532 O6 G 9 46 126.335 17.540 -6.217 1.00938.02 O ATOM 61533 N1 G 9 46 128.506 18.015 -5.728 1.00938.02 N ATOM 61534 C2 G 9 46 129.496 18.762 -5.140 1.00938.02 C ATOM 61535 N2 G 9 46 130.752 18.340 -5.334 1.00938.02 N ATOM 61536 N3 G 9 46 129.269 19.846 -4.415 1.00938.02 N ATOM 61537 C4 G 9 46 127.950 20.126 -4.323 1.00938.02 C ATOM 61538 P A 9 47 126.554 26.589 -4.208 1.00938.02 P ATOM 61539 O1P A 9 47 125.111 26.712 -3.882 1.00938.02 O ATOM 61540 O2P A 9 47 126.966 26.031 -5.521 1.00938.02 O ATOM 61541 O5* A 9 47 127.221 28.029 -4.048 1.00938.02 O ATOM 61542 C5* A 9 47 128.638 28.181 -4.041 1.00938.02 C ATOM 61543 C4* A 9 47 129.022 29.489 -3.390 1.00938.02 C ATOM 61544 O4* A 9 47 128.417 29.565 -2.072 1.00938.02 O ATOM 61545 C3* A 9 47 130.511 29.667 -3.135 1.00938.02 C ATOM 61546 O3* A 9 47 131.173 30.184 -4.286 1.00938.02 O ATOM 61547 C2* A 9 47 130.526 30.662 -1.981 1.00938.02 C ATOM 61548 O2* A 9 47 130.354 32.000 -2.398 1.00938.02 O ATOM 61549 C1* A 9 47 129.309 30.206 -1.172 1.00938.02 C ATOM 61550 N9 A 9 47 129.635 29.272 -0.093 1.00938.02 N ATOM 61551 C8 A 9 47 129.368 27.924 -0.027 1.00938.02 C ATOM 61552 N7 A 9 47 129.789 27.353 1.076 1.00938.02 N ATOM 61553 C5 A 9 47 130.373 28.393 1.784 1.00938.02 C ATOM 61554 C6 A 9 47 131.007 28.442 3.037 1.00938.02 C ATOM 61555 N6 A 9 47 131.166 27.378 3.831 1.00938.02 N ATOM 61556 N1 A 9 47 131.483 29.635 3.457 1.00938.02 N ATOM 61557 C2 A 9 47 131.324 30.700 2.662 1.00938.02 C ATOM 61558 N3 A 9 47 130.747 30.782 1.466 1.00938.02 N ATOM 61559 C4 A 9 47 130.287 29.581 1.080 1.00938.02 C ATOM 61560 P A 9 48 132.468 29.431 -4.868 1.00938.02 P ATOM 61561 O1P A 9 48 133.164 30.380 -5.774 1.00938.02 O ATOM 61562 O2P A 9 48 132.040 28.105 -5.385 1.00938.02 O ATOM 61563 O5* A 9 48 133.390 29.191 -3.591 1.00938.02 O ATOM 61564 C5* A 9 48 134.081 30.271 -2.964 1.00938.02 C ATOM 61565 C4* A 9 48 134.733 29.804 -1.683 1.00938.02 C ATOM 61566 O4* A 9 48 133.704 29.409 -0.739 1.00938.02 O ATOM 61567 C3* A 9 48 135.623 28.578 -1.807 1.00938.02 C ATOM 61568 O3* A 9 48 136.942 28.933 -2.210 1.00938.02 O ATOM 61569 C2* A 9 48 135.600 28.020 -0.388 1.00938.02 C ATOM 61570 O2* A 9 48 136.491 28.686 0.487 1.00938.02 O ATOM 61571 C1* A 9 48 134.155 28.305 0.028 1.00938.02 C ATOM 61572 N9 A 9 48 133.250 27.176 -0.202 1.00938.02 N ATOM 61573 C8 A 9 48 132.440 26.945 -1.290 1.00938.02 C ATOM 61574 N7 A 9 48 131.744 25.838 -1.202 1.00938.02 N ATOM 61575 C5 A 9 48 132.117 25.305 0.023 1.00938.02 C ATOM 61576 C6 A 9 48 131.732 24.134 0.700 1.00938.02 C ATOM 61577 N6 A 9 48 130.849 23.255 0.216 1.00938.02 N ATOM 61578 N1 A 9 48 132.292 23.893 1.905 1.00938.02 N ATOM 61579 C2 A 9 48 133.177 24.774 2.387 1.00938.02 C ATOM 61580 N3 A 9 48 133.619 25.906 1.847 1.00938.02 N ATOM 61581 C4 A 9 48 133.043 26.117 0.650 1.00938.02 C ATOM 61582 P C 9 49 137.652 28.133 -3.411 1.00938.02 P ATOM 61583 O1P C 9 49 139.095 28.482 -3.383 1.00938.02 O ATOM 61584 O2P C 9 49 136.867 28.362 -4.652 1.00938.02 O ATOM 61585 O5* C 9 49 137.501 26.599 -3.005 1.00938.02 O ATOM 61586 C5* C 9 49 138.176 26.070 -1.867 1.00938.02 C ATOM 61587 C4* C 9 49 137.634 24.700 -1.525 1.00938.02 C ATOM 61588 O4* C 9 49 136.228 24.819 -1.177 1.00938.02 O ATOM 61589 C3* C 9 49 137.654 23.680 -2.654 1.00938.02 C ATOM 61590 O3* C 9 49 138.920 23.032 -2.742 1.00938.02 O ATOM 61591 C2* C 9 49 136.552 22.713 -2.234 1.00938.02 C ATOM 61592 O2* C 9 49 136.971 21.784 -1.254 1.00938.02 O ATOM 61593 C1* C 9 49 135.523 23.674 -1.629 1.00938.02 C ATOM 61594 N1 C 9 49 134.482 24.102 -2.585 1.00938.02 N ATOM 61595 C2 C 9 49 133.312 23.332 -2.708 1.00938.02 C ATOM 61596 O2 C 9 49 133.184 22.312 -2.008 1.00938.02 O ATOM 61597 N3 C 9 49 132.356 23.718 -3.582 1.00938.02 N ATOM 61598 C4 C 9 49 132.526 24.820 -4.316 1.00938.02 C ATOM 61599 N4 C 9 49 131.555 25.163 -5.165 1.00938.02 N ATOM 61600 C5 C 9 49 133.702 25.620 -4.213 1.00938.02 C ATOM 61601 C6 C 9 49 134.644 25.229 -3.346 1.00938.02 C ATOM 61602 P U 9 50 139.459 22.526 -4.171 1.00938.02 P ATOM 61603 O1P U 9 50 140.767 21.861 -3.938 1.00938.02 O ATOM 61604 O2P U 9 50 139.372 23.655 -5.133 1.00938.02 O ATOM 61605 O5* U 9 50 138.405 21.415 -4.611 1.00938.02 O ATOM 61606 C5* U 9 50 138.271 20.199 -3.877 1.00938.02 C ATOM 61607 C4* U 9 50 137.048 19.438 -4.335 1.00938.02 C ATOM 61608 O4* U 9 50 135.863 20.240 -4.084 1.00938.02 O ATOM 61609 C3* U 9 50 136.976 19.123 -5.822 1.00938.02 C ATOM 61610 O3* U 9 50 137.706 17.941 -6.136 1.00938.02 O ATOM 61611 C2* U 9 50 135.478 18.946 -6.041 1.00938.02 C ATOM 61612 O2* U 9 50 135.004 17.677 -5.640 1.00938.02 O ATOM 61613 C1* U 9 50 134.911 20.028 -5.116 1.00938.02 C ATOM 61614 N1 U 9 50 134.665 21.308 -5.800 1.00938.02 N ATOM 61615 C2 U 9 50 133.415 21.508 -6.372 1.00938.02 C ATOM 61616 O2 U 9 50 132.520 20.679 -6.326 1.00938.02 O ATOM 61617 N3 U 9 50 133.252 22.717 -7.000 1.00938.02 N ATOM 61618 C4 U 9 50 134.184 23.729 -7.115 1.00938.02 C ATOM 61619 O4 U 9 50 133.883 24.763 -7.714 1.00938.02 O ATOM 61620 C5 U 9 50 135.444 23.452 -6.500 1.00938.02 C ATOM 61621 C6 U 9 50 135.638 22.283 -5.880 1.00938.02 C ATOM 61622 P G 9 51 138.309 17.745 -7.614 1.00938.02 P ATOM 61623 O1P G 9 51 139.342 16.680 -7.526 1.00938.02 O ATOM 61624 O2P G 9 51 138.679 19.077 -8.161 1.00938.02 O ATOM 61625 O5* G 9 51 137.078 17.190 -8.463 1.00938.02 O ATOM 61626 C5* G 9 51 136.829 15.788 -8.569 1.00938.02 C ATOM 61627 C4* G 9 51 135.709 15.523 -9.551 1.00938.02 C ATOM 61628 O4* G 9 51 134.464 16.052 -9.025 1.00938.02 O ATOM 61629 C3* G 9 51 135.850 16.180 -10.915 1.00938.02 C ATOM 61630 O3* G 9 51 136.677 15.408 -11.781 1.00938.02 O ATOM 61631 C2* G 9 51 134.406 16.230 -11.398 1.00938.02 C ATOM 61632 O2* G 9 51 133.956 15.002 -11.940 1.00938.02 O ATOM 61633 C1* G 9 51 133.660 16.528 -10.097 1.00938.02 C ATOM 61634 N9 G 9 51 133.407 17.951 -9.889 1.00938.02 N ATOM 61635 C8 G 9 51 134.179 18.841 -9.176 1.00938.02 C ATOM 61636 N7 G 9 51 133.696 20.052 -9.173 1.00938.02 N ATOM 61637 C5 G 9 51 132.534 19.961 -9.927 1.00938.02 C ATOM 61638 C6 G 9 51 131.584 20.956 -10.274 1.00938.02 C ATOM 61639 O6 G 9 51 131.576 22.156 -9.970 1.00938.02 O ATOM 61640 N1 G 9 51 130.558 20.432 -11.054 1.00938.02 N ATOM 61641 C2 G 9 51 130.457 19.123 -11.453 1.00938.02 C ATOM 61642 N2 G 9 51 129.392 18.813 -12.206 1.00938.02 N ATOM 61643 N3 G 9 51 131.336 18.187 -11.137 1.00938.02 N ATOM 61644 C4 G 9 51 132.341 18.672 -10.377 1.00938.02 C ATOM 61645 P G 9 52 137.455 16.130 -12.989 1.00938.02 P ATOM 61646 O1P G 9 52 138.323 15.108 -13.630 1.00938.02 O ATOM 61647 O2P G 9 52 138.060 17.386 -12.476 1.00938.02 O ATOM 61648 O5* G 9 52 136.298 16.517 -14.015 1.00938.02 O ATOM 61649 C5* G 9 52 135.590 15.509 -14.733 1.00938.02 C ATOM 61650 C4* G 9 52 134.484 16.125 -15.559 1.00938.02 C ATOM 61651 O4* G 9 52 133.508 16.743 -14.677 1.00938.02 O ATOM 61652 C3* G 9 52 134.895 17.245 -16.501 1.00938.02 C ATOM 61653 O3* G 9 52 135.401 16.730 -17.729 1.00938.02 O ATOM 61654 C2* G 9 52 133.583 17.997 -16.698 1.00938.02 C ATOM 61655 O2* G 9 52 132.733 17.391 -17.652 1.00938.02 O ATOM 61656 C1* G 9 52 132.956 17.890 -15.305 1.00938.02 C ATOM 61657 N9 G 9 52 133.213 19.055 -14.464 1.00938.02 N ATOM 61658 C8 G 9 52 134.163 19.181 -13.477 1.00938.02 C ATOM 61659 N7 G 9 52 134.151 20.351 -12.899 1.00938.02 N ATOM 61660 C5 G 9 52 133.131 21.041 -13.538 1.00938.02 C ATOM 61661 C6 G 9 52 132.648 22.363 -13.339 1.00938.02 C ATOM 61662 O6 G 9 52 133.040 23.214 -12.532 1.00938.02 O ATOM 61663 N1 G 9 52 131.600 22.659 -14.205 1.00938.02 N ATOM 61664 C2 G 9 52 131.084 21.800 -15.142 1.00938.02 C ATOM 61665 N2 G 9 52 130.071 22.273 -15.885 1.00938.02 N ATOM 61666 N3 G 9 52 131.522 20.566 -15.337 1.00938.02 N ATOM 61667 C4 G 9 52 132.542 20.257 -14.506 1.00938.02 C ATOM 61668 P G 9 53 136.294 17.671 -18.680 1.00938.02 P ATOM 61669 O1P G 9 53 136.657 16.872 -19.878 1.00938.02 O ATOM 61670 O2P G 9 53 137.367 18.291 -17.860 1.00938.02 O ATOM 61671 O5* G 9 53 135.284 18.815 -19.138 1.00938.02 O ATOM 61672 C5* G 9 53 135.744 19.968 -19.838 1.00938.02 C ATOM 61673 C4* G 9 53 134.590 20.901 -20.115 1.00938.02 C ATOM 61674 O4* G 9 53 133.931 21.232 -18.863 1.00938.02 O ATOM 61675 C3* G 9 53 134.958 22.248 -20.718 1.00938.02 C ATOM 61676 O3* G 9 53 135.081 22.154 -22.136 1.00938.02 O ATOM 61677 C2* G 9 53 133.783 23.122 -20.295 1.00938.02 C ATOM 61678 O2* G 9 53 132.644 22.959 -21.116 1.00938.02 O ATOM 61679 C1* G 9 53 133.496 22.582 -18.891 1.00938.02 C ATOM 61680 N9 G 9 53 134.190 23.315 -17.836 1.00938.02 N ATOM 61681 C8 G 9 53 135.376 22.972 -17.229 1.00938.02 C ATOM 61682 N7 G 9 53 135.752 23.825 -16.316 1.00938.02 N ATOM 61683 C5 G 9 53 134.754 24.792 -16.317 1.00938.02 C ATOM 61684 C6 G 9 53 134.616 25.969 -15.537 1.00938.02 C ATOM 61685 O6 G 9 53 135.372 26.404 -14.659 1.00938.02 O ATOM 61686 N1 G 9 53 133.458 26.663 -15.861 1.00938.02 N ATOM 61687 C2 G 9 53 132.546 26.279 -16.813 1.00938.02 C ATOM 61688 N2 G 9 53 131.489 27.089 -16.980 1.00938.02 N ATOM 61689 N3 G 9 53 132.664 25.185 -17.548 1.00938.02 N ATOM 61690 C4 G 9 53 133.784 24.493 -17.249 1.00938.02 C ATOM 61691 P U 9 54 135.581 23.427 -22.987 1.00938.02 P ATOM 61692 O1P U 9 54 136.527 22.921 -24.012 1.00938.02 O ATOM 61693 O2P U 9 54 136.021 24.499 -22.053 1.00938.02 O ATOM 61694 O5* U 9 54 134.263 23.914 -23.737 1.00938.02 O ATOM 61695 C5* U 9 54 134.036 25.293 -24.021 1.00938.02 C ATOM 61696 C4* U 9 54 132.808 25.451 -24.886 1.00938.02 C ATOM 61697 O4* U 9 54 131.688 24.775 -24.257 1.00938.02 O ATOM 61698 C3* U 9 54 132.322 26.878 -25.088 1.00938.02 C ATOM 61699 O3* U 9 54 133.020 27.511 -26.156 1.00938.02 O ATOM 61700 C2* U 9 54 130.847 26.675 -25.419 1.00938.02 C ATOM 61701 O2* U 9 54 130.626 26.322 -26.771 1.00938.02 O ATOM 61702 C1* U 9 54 130.491 25.493 -24.511 1.00938.02 C ATOM 61703 N1 U 9 54 129.896 25.893 -23.225 1.00938.02 N ATOM 61704 C2 U 9 54 128.519 26.065 -23.173 1.00938.02 C ATOM 61705 O2 U 9 54 127.787 25.898 -24.137 1.00938.02 O ATOM 61706 N3 U 9 54 128.028 26.438 -21.946 1.00938.02 N ATOM 61707 C4 U 9 54 128.751 26.652 -20.790 1.00938.02 C ATOM 61708 O4 U 9 54 128.161 26.985 -19.761 1.00938.02 O ATOM 61709 C5 U 9 54 130.162 26.458 -20.923 1.00938.02 C ATOM 61710 C6 U 9 54 130.673 26.094 -22.103 1.00938.02 C ATOM 61711 P C 9 55 133.231 29.106 -26.137 1.00938.02 P ATOM 61712 O1P C 9 55 133.913 29.476 -27.404 1.00938.02 O ATOM 61713 O2P C 9 55 133.845 29.483 -24.838 1.00938.02 O ATOM 61714 O5* C 9 55 131.749 29.695 -26.177 1.00938.02 O ATOM 61715 C5* C 9 55 130.904 29.483 -27.307 1.00938.02 C ATOM 61716 C4* C 9 55 129.505 29.973 -27.016 1.00938.02 C ATOM 61717 O4* C 9 55 128.950 29.211 -25.910 1.00938.02 O ATOM 61718 C3* C 9 55 129.392 31.423 -26.567 1.00938.02 C ATOM 61719 O3* C 9 55 129.343 32.297 -27.691 1.00938.02 O ATOM 61720 C2* C 9 55 128.082 31.423 -25.789 1.00938.02 C ATOM 61721 O2* C 9 55 126.941 31.514 -26.622 1.00938.02 O ATOM 61722 C1* C 9 55 128.124 30.048 -25.118 1.00938.02 C ATOM 61723 N1 C 9 55 128.652 30.072 -23.739 1.00938.02 N ATOM 61724 C2 C 9 55 127.766 30.318 -22.675 1.00938.02 C ATOM 61725 O2 C 9 55 126.563 30.510 -22.919 1.00938.02 O ATOM 61726 N3 C 9 55 128.244 30.338 -21.409 1.00938.02 N ATOM 61727 C4 C 9 55 129.542 30.127 -21.181 1.00938.02 C ATOM 61728 N4 C 9 55 129.968 30.158 -19.916 1.00938.02 N ATOM 61729 C5 C 9 55 130.463 29.877 -22.239 1.00938.02 C ATOM 61730 C6 C 9 55 129.980 29.858 -23.489 1.00938.02 C ATOM 61731 P G 9 56 130.241 33.630 -27.706 1.00938.02 P ATOM 61732 O1P G 9 56 130.008 34.306 -29.009 1.00938.02 O ATOM 61733 O2P G 9 56 131.625 33.267 -27.305 1.00938.02 O ATOM 61734 O5* G 9 56 129.616 34.534 -26.550 1.00938.02 O ATOM 61735 C5* G 9 56 128.393 35.245 -26.745 1.00938.02 C ATOM 61736 C4* G 9 56 128.027 36.003 -25.491 1.00938.02 C ATOM 61737 O4* G 9 56 127.773 35.055 -24.419 1.00938.02 O ATOM 61738 C3* G 9 56 129.110 36.923 -24.946 1.00938.02 C ATOM 61739 O3* G 9 56 129.057 38.201 -25.574 1.00938.02 O ATOM 61740 C2* G 9 56 128.762 36.993 -23.464 1.00938.02 C ATOM 61741 O2* G 9 56 127.716 37.902 -23.181 1.00938.02 O ATOM 61742 C1* G 9 56 128.292 35.561 -23.198 1.00938.02 C ATOM 61743 N9 G 9 56 129.356 34.667 -22.748 1.00938.02 N ATOM 61744 C8 G 9 56 129.999 33.702 -23.489 1.00938.02 C ATOM 61745 N7 G 9 56 130.909 33.057 -22.814 1.00938.02 N ATOM 61746 C5 G 9 56 130.869 33.627 -21.548 1.00938.02 C ATOM 61747 C6 G 9 56 131.629 33.335 -20.387 1.00938.02 C ATOM 61748 O6 G 9 56 132.519 32.488 -20.240 1.00938.02 O ATOM 61749 N1 G 9 56 131.264 34.152 -19.321 1.00938.02 N ATOM 61750 C2 G 9 56 130.297 35.122 -19.365 1.00938.02 C ATOM 61751 N2 G 9 56 130.093 35.806 -18.228 1.00938.02 N ATOM 61752 N3 G 9 56 129.578 35.403 -20.441 1.00938.02 N ATOM 61753 C4 G 9 56 129.916 34.623 -21.491 1.00938.02 C ATOM 61754 P U 9 57 130.405 39.066 -25.742 1.00938.02 P ATOM 61755 O1P U 9 57 130.051 40.291 -26.506 1.00938.02 O ATOM 61756 O2P U 9 57 131.480 38.173 -26.246 1.00938.02 O ATOM 61757 O5* U 9 57 130.776 39.501 -24.254 1.00938.02 O ATOM 61758 C5* U 9 57 129.844 40.222 -23.448 1.00938.02 C ATOM 61759 C4* U 9 57 130.274 40.196 -21.999 1.00938.02 C ATOM 61760 O4* U 9 57 130.381 38.815 -21.562 1.00938.02 O ATOM 61761 C3* U 9 57 131.644 40.788 -21.699 1.00938.02 C ATOM 61762 O3* U 9 57 131.549 42.198 -21.516 1.00938.02 O ATOM 61763 C2* U 9 57 132.016 40.094 -20.393 1.00938.02 C ATOM 61764 O2* U 9 57 131.421 40.688 -19.256 1.00938.02 O ATOM 61765 C1* U 9 57 131.423 38.699 -20.605 1.00938.02 C ATOM 61766 N1 U 9 57 132.400 37.702 -21.075 1.00938.02 N ATOM 61767 C2 U 9 57 133.085 36.973 -20.116 1.00938.02 C ATOM 61768 O2 U 9 57 132.911 37.118 -18.916 1.00938.02 O ATOM 61769 N3 U 9 57 133.984 36.063 -20.614 1.00938.02 N ATOM 61770 C4 U 9 57 134.267 35.807 -21.938 1.00938.02 C ATOM 61771 O4 U 9 57 135.107 34.954 -22.225 1.00938.02 O ATOM 61772 C5 U 9 57 133.519 36.598 -22.869 1.00938.02 C ATOM 61773 C6 U 9 57 132.634 37.495 -22.420 1.00938.02 C ATOM 61774 P G 9 58 132.598 43.176 -22.250 1.00938.02 P ATOM 61775 O1P G 9 58 131.920 43.725 -23.453 1.00938.02 O ATOM 61776 O2P G 9 58 133.897 42.472 -22.400 1.00938.02 O ATOM 61777 O5* G 9 58 132.798 44.370 -21.210 1.00938.02 O ATOM 61778 C5* G 9 58 131.705 44.853 -20.431 1.00938.02 C ATOM 61779 C4* G 9 58 131.960 44.596 -18.964 1.00938.02 C ATOM 61780 O4* G 9 58 132.225 43.180 -18.780 1.00938.02 O ATOM 61781 C3* G 9 58 133.171 45.300 -18.367 1.00938.02 C ATOM 61782 O3* G 9 58 132.794 46.605 -17.929 1.00938.02 O ATOM 61783 C2* G 9 58 133.560 44.377 -17.215 1.00938.02 C ATOM 61784 O2* G 9 58 132.822 44.602 -16.033 1.00938.02 O ATOM 61785 C1* G 9 58 133.221 42.999 -17.791 1.00938.02 C ATOM 61786 N9 G 9 58 134.357 42.316 -18.405 1.00938.02 N ATOM 61787 C8 G 9 58 135.064 42.709 -19.518 1.00938.02 C ATOM 61788 N7 G 9 58 136.027 41.886 -19.831 1.00938.02 N ATOM 61789 C5 G 9 58 135.954 40.889 -18.869 1.00938.02 C ATOM 61790 C6 G 9 58 136.743 39.723 -18.692 1.00938.02 C ATOM 61791 O6 G 9 58 137.695 39.326 -19.373 1.00938.02 O ATOM 61792 N1 G 9 58 136.327 38.987 -17.590 1.00938.02 N ATOM 61793 C2 G 9 58 135.283 39.324 -16.761 1.00938.02 C ATOM 61794 N2 G 9 58 135.037 38.481 -15.749 1.00938.02 N ATOM 61795 N3 G 9 58 134.540 40.407 -16.914 1.00938.02 N ATOM 61796 C4 G 9 58 134.928 41.139 -17.981 1.00938.02 C ATOM 61797 P A 9 59 133.826 47.509 -17.085 1.00938.02 P ATOM 61798 O1P A 9 59 133.755 48.882 -17.654 1.00938.02 O ATOM 61799 O2P A 9 59 135.142 46.824 -17.001 1.00938.02 O ATOM 61800 O5* A 9 59 133.186 47.532 -15.623 1.00938.02 O ATOM 61801 C5* A 9 59 132.466 48.671 -15.149 1.00938.02 C ATOM 61802 C4* A 9 59 131.542 48.284 -14.014 1.00938.02 C ATOM 61803 O4* A 9 59 130.461 47.453 -14.512 1.00938.02 O ATOM 61804 C3* A 9 59 132.155 47.466 -12.892 1.00938.02 C ATOM 61805 O3* A 9 59 132.835 48.300 -11.960 1.00938.02 O ATOM 61806 C2* A 9 59 130.930 46.808 -12.267 1.00938.02 C ATOM 61807 O2* A 9 59 130.241 47.657 -11.368 1.00938.02 O ATOM 61808 C1* A 9 59 130.056 46.543 -13.499 1.00938.02 C ATOM 61809 N9 A 9 59 130.132 45.180 -14.033 1.00938.02 N ATOM 61810 C8 A 9 59 130.074 44.804 -15.356 1.00938.02 C ATOM 61811 N7 A 9 59 130.170 43.510 -15.542 1.00938.02 N ATOM 61812 C5 A 9 59 130.298 42.995 -14.259 1.00938.02 C ATOM 61813 C6 A 9 59 130.439 41.681 -13.777 1.00938.02 C ATOM 61814 N6 A 9 59 130.481 40.602 -14.565 1.00938.02 N ATOM 61815 N1 A 9 59 130.536 41.510 -12.442 1.00938.02 N ATOM 61816 C2 A 9 59 130.495 42.589 -11.654 1.00938.02 C ATOM 61817 N3 A 9 59 130.367 43.872 -11.985 1.00938.02 N ATOM 61818 C4 A 9 59 130.273 44.010 -13.319 1.00938.02 C ATOM 61819 P A 9 60 134.159 47.760 -11.222 1.00938.02 P ATOM 61820 O1P A 9 60 134.625 48.836 -10.310 1.00938.02 O ATOM 61821 O2P A 9 60 135.084 47.222 -12.251 1.00938.02 O ATOM 61822 O5* A 9 60 133.637 46.541 -10.334 1.00938.02 O ATOM 61823 C5* A 9 60 132.789 46.763 -9.210 1.00938.02 C ATOM 61824 C4* A 9 60 132.731 45.526 -8.342 1.00938.02 C ATOM 61825 O4* A 9 60 132.107 44.444 -9.082 1.00938.02 O ATOM 61826 C3* A 9 60 134.076 44.959 -7.915 1.00938.02 C ATOM 61827 O3* A 9 60 134.575 45.628 -6.758 1.00938.02 O ATOM 61828 C2* A 9 60 133.734 43.504 -7.624 1.00938.02 C ATOM 61829 O2* A 9 60 133.148 43.310 -6.349 1.00938.02 O ATOM 61830 C1* A 9 60 132.704 43.209 -8.716 1.00938.02 C ATOM 61831 N9 A 9 60 133.286 42.602 -9.915 1.00938.02 N ATOM 61832 C8 A 9 60 133.759 43.231 -11.043 1.00938.02 C ATOM 61833 N7 A 9 60 134.225 42.409 -11.951 1.00938.02 N ATOM 61834 C5 A 9 60 134.050 41.153 -11.385 1.00938.02 C ATOM 61835 C6 A 9 60 134.345 39.860 -11.847 1.00938.02 C ATOM 61836 N6 A 9 60 134.901 39.606 -13.034 1.00938.02 N ATOM 61837 N1 A 9 60 134.045 38.819 -11.040 1.00938.02 N ATOM 61838 C2 A 9 60 133.487 39.074 -9.849 1.00938.02 C ATOM 61839 N3 A 9 60 133.163 40.244 -9.303 1.00938.02 N ATOM 61840 C4 A 9 60 133.473 41.256 -10.131 1.00938.02 C ATOM 61841 P A 9 61 136.142 45.975 -6.654 1.00938.02 P ATOM 61842 O1P A 9 61 136.393 46.478 -5.280 1.00938.02 O ATOM 61843 O2P A 9 61 136.510 46.817 -7.821 1.00938.02 O ATOM 61844 O5* A 9 61 136.862 44.562 -6.813 1.00938.02 O ATOM 61845 C5* A 9 61 136.764 43.568 -5.794 1.00938.02 C ATOM 61846 C4* A 9 61 137.379 42.270 -6.263 1.00938.02 C ATOM 61847 O4* A 9 61 136.608 41.743 -7.377 1.00938.02 O ATOM 61848 C3* A 9 61 138.796 42.369 -6.807 1.00938.02 C ATOM 61849 O3* A 9 61 139.759 42.340 -5.760 1.00938.02 O ATOM 61850 C2* A 9 61 138.884 41.134 -7.697 1.00938.02 C ATOM 61851 O2* A 9 61 139.140 39.945 -6.977 1.00938.02 O ATOM 61852 C1* A 9 61 137.475 41.092 -8.291 1.00938.02 C ATOM 61853 N9 A 9 61 137.377 41.766 -9.587 1.00938.02 N ATOM 61854 C8 A 9 61 137.036 43.073 -9.839 1.00938.02 C ATOM 61855 N7 A 9 61 137.042 43.387 -11.113 1.00938.02 N ATOM 61856 C5 A 9 61 137.410 42.205 -11.744 1.00938.02 C ATOM 61857 C6 A 9 61 137.595 41.875 -13.098 1.00938.02 C ATOM 61858 N6 A 9 61 137.430 42.739 -14.100 1.00938.02 N ATOM 61859 N1 A 9 61 137.962 40.609 -13.390 1.00938.02 N ATOM 61860 C2 A 9 61 138.129 39.742 -12.384 1.00938.02 C ATOM 61861 N3 A 9 61 137.984 39.931 -11.075 1.00938.02 N ATOM 61862 C4 A 9 61 137.619 41.199 -10.817 1.00938.02 C ATOM 61863 P C 9 62 141.124 43.175 -5.912 1.00938.02 P ATOM 61864 O1P C 9 62 141.969 42.863 -4.733 1.00938.02 O ATOM 61865 O2P C 9 62 140.776 44.589 -6.212 1.00938.02 O ATOM 61866 O5* C 9 62 141.814 42.549 -7.207 1.00938.02 O ATOM 61867 C5* C 9 62 142.398 41.250 -7.169 1.00938.02 C ATOM 61868 C4* C 9 62 143.140 40.967 -8.458 1.00938.02 C ATOM 61869 O4* C 9 62 142.196 40.851 -9.554 1.00938.02 O ATOM 61870 C3* C 9 62 144.111 42.044 -8.913 1.00938.02 C ATOM 61871 O3* C 9 62 145.363 41.912 -8.247 1.00938.02 O ATOM 61872 C2* C 9 62 144.221 41.768 -10.409 1.00938.02 C ATOM 61873 O2* C 9 62 145.127 40.726 -10.715 1.00938.02 O ATOM 61874 C1* C 9 62 142.796 41.330 -10.750 1.00938.02 C ATOM 61875 N1 C 9 62 141.949 42.404 -11.312 1.00938.02 N ATOM 61876 C2 C 9 62 142.016 42.670 -12.693 1.00938.02 C ATOM 61877 O2 C 9 62 142.788 42.004 -13.404 1.00938.02 O ATOM 61878 N3 C 9 62 141.238 43.647 -13.215 1.00938.02 N ATOM 61879 C4 C 9 62 140.420 44.344 -12.423 1.00938.02 C ATOM 61880 N4 C 9 62 139.671 45.297 -12.984 1.00938.02 N ATOM 61881 C5 C 9 62 140.335 44.099 -11.022 1.00938.02 C ATOM 61882 C6 C 9 62 141.108 43.130 -10.514 1.00938.02 C ATOM 61883 P A 9 63 146.239 43.223 -7.934 1.00938.02 P ATOM 61884 O1P A 9 63 147.393 42.793 -7.102 1.00938.02 O ATOM 61885 O2P A 9 63 145.335 44.291 -7.433 1.00938.02 O ATOM 61886 O5* A 9 63 146.789 43.667 -9.361 1.00938.02 O ATOM 61887 C5* A 9 63 147.759 42.877 -10.048 1.00938.02 C ATOM 61888 C4* A 9 63 147.962 43.400 -11.452 1.00938.02 C ATOM 61889 O4* A 9 63 146.735 43.242 -12.210 1.00938.02 O ATOM 61890 C3* A 9 63 148.287 44.881 -11.567 1.00938.02 C ATOM 61891 O3* A 9 63 149.679 45.115 -11.375 1.00938.02 O ATOM 61892 C2* A 9 63 147.847 45.197 -12.993 1.00938.02 C ATOM 61893 O2* A 9 63 148.803 44.822 -13.963 1.00938.02 O ATOM 61894 C1* A 9 63 146.600 44.317 -13.126 1.00938.02 C ATOM 61895 N9 A 9 63 145.350 45.024 -12.836 1.00938.02 N ATOM 61896 C8 A 9 63 144.666 45.089 -11.646 1.00938.02 C ATOM 61897 N7 A 9 63 143.571 45.807 -11.702 1.00938.02 N ATOM 61898 C5 A 9 63 143.528 46.246 -13.018 1.00938.02 C ATOM 61899 C6 A 9 63 142.613 47.053 -13.717 1.00938.02 C ATOM 61900 N6 A 9 63 141.516 47.580 -13.165 1.00938.02 N ATOM 61901 N1 A 9 63 142.864 47.301 -15.020 1.00938.02 N ATOM 61902 C2 A 9 63 143.961 46.772 -15.574 1.00938.02 C ATOM 61903 N3 A 9 63 144.895 46.002 -15.023 1.00938.02 N ATOM 61904 C4 A 9 63 144.618 45.772 -13.729 1.00938.02 C ATOM 61905 P C 9 64 150.187 46.567 -10.906 1.00938.02 P ATOM 61906 O1P C 9 64 151.643 46.458 -10.634 1.00938.02 O ATOM 61907 O2P C 9 64 149.279 47.070 -9.845 1.00938.02 O ATOM 61908 O5* C 9 64 149.992 47.478 -12.200 1.00938.02 O ATOM 61909 C5* C 9 64 150.745 47.235 -13.387 1.00938.02 C ATOM 61910 C4* C 9 64 150.215 48.070 -14.529 1.00938.02 C ATOM 61911 O4* C 9 64 148.845 47.682 -14.814 1.00938.02 O ATOM 61912 C3* C 9 64 150.134 49.567 -14.279 1.00938.02 C ATOM 61913 O3* C 9 64 151.386 50.198 -14.520 1.00938.02 O ATOM 61914 C2* C 9 64 149.073 50.004 -15.281 1.00938.02 C ATOM 61915 O2* C 9 64 149.577 50.157 -16.594 1.00938.02 O ATOM 61916 C1* C 9 64 148.104 48.818 -15.234 1.00938.02 C ATOM 61917 N1 C 9 64 146.972 49.021 -14.304 1.00938.02 N ATOM 61918 C2 C 9 64 145.811 49.654 -14.777 1.00938.02 C ATOM 61919 O2 C 9 64 145.761 50.022 -15.964 1.00938.02 O ATOM 61920 N3 C 9 64 144.774 49.846 -13.931 1.00938.02 N ATOM 61921 C4 C 9 64 144.859 49.438 -12.665 1.00938.02 C ATOM 61922 N4 C 9 64 143.810 49.651 -11.867 1.00938.02 N ATOM 61923 C5 C 9 64 146.024 48.793 -12.157 1.00938.02 C ATOM 61924 C6 C 9 64 147.047 48.607 -13.002 1.00938.02 C ATOM 61925 P A 9 65 151.739 51.584 -13.783 1.00938.02 P ATOM 61926 O1P A 9 65 153.134 51.938 -14.151 1.00938.02 O ATOM 61927 O2P A 9 65 151.369 51.462 -12.349 1.00938.02 O ATOM 61928 O5* A 9 65 150.758 52.641 -14.461 1.00938.02 O ATOM 61929 C5* A 9 65 150.921 53.020 -15.825 1.00938.02 C ATOM 61930 C4* A 9 65 149.813 53.958 -16.252 1.00938.02 C ATOM 61931 O4* A 9 65 148.541 53.261 -16.192 1.00938.02 O ATOM 61932 C3* A 9 65 149.607 55.184 -15.378 1.00938.02 C ATOM 61933 O3* A 9 65 150.507 56.228 -15.738 1.00938.02 O ATOM 61934 C2* A 9 65 148.158 55.553 -15.676 1.00938.02 C ATOM 61935 O2* A 9 65 148.006 56.276 -16.882 1.00938.02 O ATOM 61936 C1* A 9 65 147.517 54.170 -15.819 1.00938.02 C ATOM 61937 N9 A 9 65 146.886 53.686 -14.588 1.00938.02 N ATOM 61938 C8 A 9 65 147.351 52.738 -13.707 1.00938.02 C ATOM 61939 N7 A 9 65 146.550 52.518 -12.693 1.00938.02 N ATOM 61940 C5 A 9 65 145.484 53.379 -12.918 1.00938.02 C ATOM 61941 C6 A 9 65 144.302 53.628 -12.200 1.00938.02 C ATOM 61942 N6 A 9 65 143.978 53.004 -11.065 1.00938.02 N ATOM 61943 N1 A 9 65 143.448 54.550 -12.696 1.00938.02 N ATOM 61944 C2 A 9 65 143.771 55.176 -13.835 1.00938.02 C ATOM 61945 N3 A 9 65 144.850 55.029 -14.599 1.00938.02 N ATOM 61946 C4 A 9 65 145.679 54.105 -14.079 1.00938.02 C ATOM 61947 P G 9 66 150.874 57.372 -14.668 1.00938.02 P ATOM 61948 O1P G 9 66 151.927 58.226 -15.277 1.00938.02 O ATOM 61949 O2P G 9 66 151.128 56.726 -13.353 1.00938.02 O ATOM 61950 O5* G 9 66 149.539 58.231 -14.550 1.00938.02 O ATOM 61951 C5* G 9 66 149.073 59.018 -15.647 1.00938.02 C ATOM 61952 C4* G 9 66 147.761 59.683 -15.302 1.00938.02 C ATOM 61953 O4* G 9 66 146.742 58.669 -15.095 1.00938.02 O ATOM 61954 C3* G 9 66 147.745 60.500 -14.019 1.00938.02 C ATOM 61955 O3* G 9 66 148.240 61.818 -14.250 1.00938.02 O ATOM 61956 C2* G 9 66 146.264 60.504 -13.657 1.00938.02 C ATOM 61957 O2* G 9 66 145.520 61.470 -14.373 1.00938.02 O ATOM 61958 C1* G 9 66 145.838 59.099 -14.090 1.00938.02 C ATOM 61959 N9 G 9 66 145.842 58.116 -13.006 1.00938.02 N ATOM 61960 C8 G 9 66 146.831 57.207 -12.713 1.00938.02 C ATOM 61961 N7 G 9 66 146.546 56.452 -11.687 1.00938.02 N ATOM 61962 C5 G 9 66 145.295 56.891 -11.275 1.00938.02 C ATOM 61963 C6 G 9 66 144.472 56.447 -10.205 1.00938.02 C ATOM 61964 O6 G 9 66 144.693 55.550 -9.383 1.00938.02 O ATOM 61965 N1 G 9 66 143.283 57.167 -10.143 1.00938.02 N ATOM 61966 C2 G 9 66 142.928 58.181 -10.995 1.00938.02 C ATOM 61967 N2 G 9 66 141.736 58.752 -10.770 1.00938.02 N ATOM 61968 N3 G 9 66 143.684 58.604 -11.997 1.00938.02 N ATOM 61969 C4 G 9 66 144.846 57.919 -12.077 1.00938.02 C ATOM 61970 P C 9 67 148.991 62.609 -13.066 1.00938.02 P ATOM 61971 O1P C 9 67 149.490 63.885 -13.640 1.00938.02 O ATOM 61972 O2P C 9 67 149.942 61.682 -12.404 1.00938.02 O ATOM 61973 O5* C 9 67 147.828 62.951 -12.033 1.00938.02 O ATOM 61974 C5* C 9 67 146.760 63.829 -12.388 1.00938.02 C ATOM 61975 C4* C 9 67 145.617 63.687 -11.411 1.00938.02 C ATOM 61976 O4* C 9 67 145.125 62.323 -11.452 1.00938.02 O ATOM 61977 C3* C 9 67 145.962 63.923 -9.948 1.00938.02 C ATOM 61978 O3* C 9 67 145.885 65.313 -9.628 1.00938.02 O ATOM 61979 C2* C 9 67 144.881 63.126 -9.227 1.00938.02 C ATOM 61980 O2* C 9 67 143.651 63.818 -9.133 1.00938.02 O ATOM 61981 C1* C 9 67 144.723 61.917 -10.154 1.00938.02 C ATOM 61982 N1 C 9 67 145.529 60.747 -9.749 1.00938.02 N ATOM 61983 C2 C 9 67 145.009 59.866 -8.785 1.00938.02 C ATOM 61984 O2 C 9 67 143.891 60.094 -8.296 1.00938.02 O ATOM 61985 N3 C 9 67 145.740 58.789 -8.415 1.00938.02 N ATOM 61986 C4 C 9 67 146.938 58.573 -8.961 1.00938.02 C ATOM 61987 N4 C 9 67 147.620 57.495 -8.569 1.00938.02 N ATOM 61988 C5 C 9 67 147.490 59.453 -9.938 1.00938.02 C ATOM 61989 C6 C 9 67 146.760 60.515 -10.299 1.00938.02 C ATOM 61990 P A 9 68 146.969 65.969 -8.635 1.00938.02 P ATOM 61991 O1P A 9 68 146.580 67.389 -8.440 1.00938.02 O ATOM 61992 O2P A 9 68 148.327 65.646 -9.142 1.00938.02 O ATOM 61993 O5* A 9 68 146.760 65.206 -7.251 1.00938.02 O ATOM 61994 C5* A 9 68 145.454 64.995 -6.713 1.00938.02 C ATOM 61995 C4* A 9 68 145.543 64.283 -5.383 1.00938.02 C ATOM 61996 O4* A 9 68 146.303 63.060 -5.549 1.00938.02 O ATOM 61997 C3* A 9 68 146.262 65.040 -4.277 1.00938.02 C ATOM 61998 O3* A 9 68 145.325 65.893 -3.617 1.00938.02 O ATOM 61999 C2* A 9 68 146.771 63.919 -3.372 1.00938.02 C ATOM 62000 O2* A 9 68 145.825 63.480 -2.418 1.00938.02 O ATOM 62001 C1* A 9 68 147.056 62.801 -4.377 1.00938.02 C ATOM 62002 N9 A 9 68 148.465 62.671 -4.753 1.00938.02 N ATOM 62003 C8 A 9 68 149.191 63.446 -5.625 1.00938.02 C ATOM 62004 N7 A 9 68 150.438 63.062 -5.758 1.00938.02 N ATOM 62005 C5 A 9 68 150.541 61.964 -4.915 1.00938.02 C ATOM 62006 C6 A 9 68 151.611 61.105 -4.610 1.00938.02 C ATOM 62007 N6 A 9 68 152.830 61.221 -5.140 1.00938.02 N ATOM 62008 N1 A 9 68 151.382 60.107 -3.729 1.00938.02 N ATOM 62009 C2 A 9 68 150.158 59.988 -3.199 1.00938.02 C ATOM 62010 N3 A 9 68 149.074 60.731 -3.409 1.00938.02 N ATOM 62011 C4 A 9 68 149.336 61.714 -4.288 1.00938.02 C ATOM 62012 P G 9 69 145.789 66.809 -2.379 1.00938.02 P ATOM 62013 O1P G 9 69 145.506 68.220 -2.754 1.00938.02 O ATOM 62014 O2P G 9 69 147.162 66.428 -1.957 1.00938.02 O ATOM 62015 O5* G 9 69 144.786 66.385 -1.215 1.00938.02 O ATOM 62016 C5* G 9 69 143.555 67.083 -1.002 1.00938.02 C ATOM 62017 C4* G 9 69 142.479 66.132 -0.523 1.00938.02 C ATOM 62018 O4* G 9 69 142.037 65.284 -1.614 1.00938.02 O ATOM 62019 C3* G 9 69 142.888 65.161 0.574 1.00938.02 C ATOM 62020 O3* G 9 69 142.789 65.787 1.851 1.00938.02 O ATOM 62021 C2* G 9 69 141.873 64.032 0.410 1.00938.02 C ATOM 62022 O2* G 9 69 140.642 64.294 1.052 1.00938.02 O ATOM 62023 C1* G 9 69 141.663 64.012 -1.108 1.00938.02 C ATOM 62024 N9 G 9 69 142.406 62.986 -1.841 1.00938.02 N ATOM 62025 C8 G 9 69 143.090 63.155 -3.021 1.00938.02 C ATOM 62026 N7 G 9 69 143.656 62.061 -3.452 1.00938.02 N ATOM 62027 C5 G 9 69 143.327 61.105 -2.500 1.00938.02 C ATOM 62028 C6 G 9 69 143.661 59.728 -2.433 1.00938.02 C ATOM 62029 O6 G 9 69 144.339 59.059 -3.223 1.00938.02 O ATOM 62030 N1 G 9 69 143.120 59.127 -1.302 1.00938.02 N ATOM 62031 C2 G 9 69 142.356 59.763 -0.356 1.00938.02 C ATOM 62032 N2 G 9 69 141.926 59.002 0.662 1.00938.02 N ATOM 62033 N3 G 9 69 142.037 61.049 -0.407 1.00938.02 N ATOM 62034 C4 G 9 69 142.553 61.654 -1.498 1.00938.02 C ATOM 62035 P C 9 70 143.850 65.426 3.004 1.00938.02 P ATOM 62036 O1P C 9 70 143.660 66.410 4.100 1.00938.02 O ATOM 62037 O2P C 9 70 145.191 65.271 2.384 1.00938.02 O ATOM 62038 O5* C 9 70 143.376 63.998 3.530 1.00938.02 O ATOM 62039 C5* C 9 70 142.127 63.838 4.200 1.00938.02 C ATOM 62040 C4* C 9 70 141.967 62.413 4.674 1.00938.02 C ATOM 62041 O4* C 9 70 141.939 61.528 3.522 1.00938.02 O ATOM 62042 C3* C 9 70 143.100 61.880 5.536 1.00938.02 C ATOM 62043 O3* C 9 70 142.911 62.222 6.907 1.00938.02 O ATOM 62044 C2* C 9 70 143.009 60.376 5.306 1.00938.02 C ATOM 62045 O2* C 9 70 142.003 59.755 6.082 1.00938.02 O ATOM 62046 C1* C 9 70 142.627 60.324 3.824 1.00938.02 C ATOM 62047 N1 C 9 70 143.789 60.202 2.916 1.00938.02 N ATOM 62048 C2 C 9 70 144.322 58.928 2.659 1.00938.02 C ATOM 62049 O2 C 9 70 143.809 57.934 3.201 1.00938.02 O ATOM 62050 N3 C 9 70 145.381 58.815 1.826 1.00938.02 N ATOM 62051 C4 C 9 70 145.908 59.902 1.261 1.00938.02 C ATOM 62052 N4 C 9 70 146.953 59.741 0.446 1.00938.02 N ATOM 62053 C5 C 9 70 145.390 61.206 1.506 1.00938.02 C ATOM 62054 C6 C 9 70 144.339 61.309 2.331 1.00938.02 C ATOM 62055 P G 9 71 144.186 62.487 7.847 1.00938.02 P ATOM 62056 O1P G 9 71 143.685 62.659 9.235 1.00938.02 O ATOM 62057 O2P G 9 71 145.011 63.557 7.227 1.00938.02 O ATOM 62058 O5* G 9 71 144.998 61.117 7.783 1.00938.02 O ATOM 62059 C5* G 9 71 146.377 61.062 8.138 1.00938.02 C ATOM 62060 C4* G 9 71 146.941 59.695 7.823 1.00938.02 C ATOM 62061 O4* G 9 71 146.692 59.386 6.426 1.00938.02 O ATOM 62062 C3* G 9 71 148.446 59.556 7.980 1.00938.02 C ATOM 62063 O3* G 9 71 148.796 59.261 9.329 1.00938.02 O ATOM 62064 C2* G 9 71 148.758 58.389 7.049 1.00938.02 C ATOM 62065 O2* G 9 71 148.484 57.132 7.633 1.00938.02 O ATOM 62066 C1* G 9 71 147.784 58.651 5.897 1.00938.02 C ATOM 62067 N9 G 9 71 148.372 59.412 4.797 1.00938.02 N ATOM 62068 C8 G 9 71 148.067 60.699 4.421 1.00938.02 C ATOM 62069 N7 G 9 71 148.760 61.110 3.393 1.00938.02 N ATOM 62070 C5 G 9 71 149.572 60.032 3.071 1.00938.02 C ATOM 62071 C6 G 9 71 150.542 59.885 2.046 1.00938.02 C ATOM 62072 O6 G 9 71 150.886 60.705 1.187 1.00938.02 O ATOM 62073 N1 G 9 71 151.133 58.627 2.077 1.00938.02 N ATOM 62074 C2 G 9 71 150.835 57.636 2.979 1.00938.02 C ATOM 62075 N2 G 9 71 151.517 56.490 2.845 1.00938.02 N ATOM 62076 N3 G 9 71 149.934 57.758 3.940 1.00938.02 N ATOM 62077 C4 G 9 71 149.346 58.974 3.926 1.00938.02 C ATOM 62078 P C 9 72 150.228 59.722 9.901 1.00938.02 P ATOM 62079 O1P C 9 72 150.349 59.181 11.279 1.00938.02 O ATOM 62080 O2P C 9 72 150.379 61.180 9.670 1.00938.02 O ATOM 62081 O5* C 9 72 151.280 58.960 8.973 1.00938.02 O ATOM 62082 C5* C 9 72 151.366 57.537 8.974 1.00938.02 C ATOM 62083 C4* C 9 72 152.375 57.071 7.947 1.00938.02 C ATOM 62084 O4* C 9 72 151.929 57.461 6.623 1.00938.02 O ATOM 62085 C3* C 9 72 153.767 57.671 8.074 1.00938.02 C ATOM 62086 O3* C 9 72 154.549 56.941 9.013 1.00938.02 O ATOM 62087 C2* C 9 72 154.306 57.538 6.654 1.00938.02 C ATOM 62088 O2* C 9 72 154.802 56.244 6.371 1.00938.02 O ATOM 62089 C1* C 9 72 153.049 57.804 5.822 1.00938.02 C ATOM 62090 N1 C 9 72 152.906 59.205 5.374 1.00938.02 N ATOM 62091 C2 C 9 72 153.619 59.638 4.240 1.00938.02 C ATOM 62092 O2 C 9 72 154.359 58.835 3.643 1.00938.02 O ATOM 62093 N3 C 9 72 153.480 60.917 3.825 1.00938.02 N ATOM 62094 C4 C 9 72 152.683 61.754 4.487 1.00938.02 C ATOM 62095 N4 C 9 72 152.580 63.007 4.036 1.00938.02 N ATOM 62096 C5 C 9 72 151.952 61.347 5.641 1.00938.02 C ATOM 62097 C6 C 9 72 152.093 60.078 6.047 1.00938.02 C ATOM 62098 P C 9 73 155.754 57.670 9.790 1.00938.02 P ATOM 62099 O1P C 9 73 156.319 56.687 10.751 1.00938.02 O ATOM 62100 O2P C 9 73 155.270 58.983 10.286 1.00938.02 O ATOM 62101 O5* C 9 73 156.838 57.936 8.654 1.00938.02 O ATOM 62102 C5* C 9 73 157.507 56.854 8.006 1.00938.02 C ATOM 62103 C4* C 9 73 158.360 57.370 6.870 1.00938.02 C ATOM 62104 O4* C 9 73 157.505 57.977 5.866 1.00938.02 O ATOM 62105 C3* C 9 73 159.352 58.462 7.240 1.00938.02 C ATOM 62106 O3* C 9 73 160.563 57.897 7.735 1.00938.02 O ATOM 62107 C2* C 9 73 159.559 59.179 5.910 1.00938.02 C ATOM 62108 O2* C 9 73 160.482 58.522 5.063 1.00938.02 O ATOM 62109 C1* C 9 73 158.157 59.104 5.300 1.00938.02 C ATOM 62110 N1 C 9 73 157.327 60.303 5.541 1.00938.02 N ATOM 62111 C2 C 9 73 157.446 61.399 4.669 1.00938.02 C ATOM 62112 O2 C 9 73 158.248 61.338 3.720 1.00938.02 O ATOM 62113 N3 C 9 73 156.683 62.495 4.881 1.00938.02 N ATOM 62114 C4 C 9 73 155.831 62.530 5.910 1.00938.02 C ATOM 62115 N4 C 9 73 155.099 63.633 6.076 1.00938.02 N ATOM 62116 C5 C 9 73 155.694 61.436 6.813 1.00938.02 C ATOM 62117 C6 C 9 73 156.454 60.354 6.593 1.00938.02 C ATOM 62118 P A 9 74 161.426 59.600 8.379 1.00772.46 P ATOM 62119 O1P A 9 74 162.656 58.818 8.663 1.00772.46 O ATOM 62120 O2P A 9 74 160.436 59.825 9.463 1.00772.46 O ATOM 62121 O5* A 9 74 161.860 61.018 7.799 1.00772.46 O ATOM 62122 C5* A 9 74 162.753 61.116 6.690 1.00772.46 C ATOM 62123 C4* A 9 74 162.752 62.524 6.139 1.00772.46 C ATOM 62124 O4* A 9 74 161.413 62.846 5.672 1.00772.46 O ATOM 62125 C3* A 9 74 163.077 63.619 7.141 1.00772.46 C ATOM 62126 O3* A 9 74 164.486 63.797 7.270 1.00772.46 O ATOM 62127 C2* A 9 74 162.395 64.834 6.524 1.00772.46 C ATOM 62128 O2* A 9 74 163.148 65.425 5.483 1.00772.46 O ATOM 62129 C1* A 9 74 161.121 64.206 5.955 1.00772.46 C ATOM 62130 N9 A 9 74 159.987 64.248 6.880 1.00772.46 N ATOM 62131 C8 A 9 74 159.757 63.443 7.971 1.00772.46 C ATOM 62132 N7 A 9 74 158.651 63.725 8.612 1.00772.46 N ATOM 62133 C5 A 9 74 158.113 64.785 7.898 1.00772.46 C ATOM 62134 C6 A 9 74 156.939 65.543 8.070 1.00772.46 C ATOM 62135 N6 A 9 74 156.062 65.337 9.055 1.00772.46 N ATOM 62136 N1 A 9 74 156.694 66.530 7.180 1.00772.46 N ATOM 62137 C2 A 9 74 157.575 66.735 6.194 1.00772.46 C ATOM 62138 N3 A 9 74 158.710 66.095 5.928 1.00772.46 N ATOM 62139 C4 A 9 74 158.924 65.118 6.829 1.00772.46 C ATOM 62140 P A 9 75 165.107 64.304 8.666 1.00772.46 P ATOM 62141 O1P A 9 75 166.440 63.659 8.806 1.00772.46 O ATOM 62142 O2P A 9 75 164.094 64.127 9.740 1.00772.46 O ATOM 62143 O5* A 9 75 165.321 65.867 8.448 1.00772.46 O ATOM 62144 C5* A 9 75 166.535 66.375 7.894 1.00772.46 C ATOM 62145 C4* A 9 75 166.455 67.876 7.735 1.00772.46 C ATOM 62146 O4* A 9 75 165.439 68.204 6.751 1.00772.46 O ATOM 62147 C3* A 9 75 166.043 68.654 8.977 1.00772.46 C ATOM 62148 O3* A 9 75 167.158 68.908 9.824 1.00772.46 O ATOM 62149 C2* A 9 75 165.475 69.935 8.381 1.00772.46 C ATOM 62150 O2* A 9 75 166.472 70.869 8.015 1.00772.46 O ATOM 62151 C1* A 9 75 164.778 69.403 7.127 1.00772.46 C ATOM 62152 N9 A 9 75 163.361 69.101 7.339 1.00772.46 N ATOM 62153 C8 A 9 75 162.806 67.923 7.781 1.00772.46 C ATOM 62154 N7 A 9 75 161.499 67.954 7.872 1.00772.46 N ATOM 62155 C5 A 9 75 161.168 69.238 7.460 1.00772.46 C ATOM 62156 C6 A 9 75 159.935 69.898 7.331 1.00772.46 C ATOM 62157 N6 A 9 75 158.760 69.330 7.612 1.00772.46 N ATOM 62158 N1 A 9 75 159.950 71.178 6.896 1.00772.46 N ATOM 62159 C2 A 9 75 161.131 71.743 6.614 1.00772.46 C ATOM 62160 N3 A 9 75 162.355 71.226 6.695 1.00772.46 N ATOM 62161 C4 A 9 75 162.305 69.955 7.129 1.00772.46 C ATOM 62162 P U 9 76 166.922 69.189 11.389 1.00772.46 P ATOM 62163 O1P U 9 76 166.351 67.954 11.983 1.00772.46 O ATOM 62164 O2P U 9 76 166.186 70.473 11.520 1.00772.46 O ATOM 62165 O5* U 9 76 168.393 69.380 11.968 1.00772.46 O ATOM 62166 C5* U 9 76 168.640 70.249 13.073 1.00772.46 C ATOM 62167 C4* U 9 76 170.095 70.174 13.483 1.00772.46 C ATOM 62168 O4* U 9 76 170.379 68.858 14.023 1.00772.46 O ATOM 62169 C3* U 9 76 171.106 70.349 12.361 1.00772.46 C ATOM 62170 O3* U 9 76 171.341 71.732 12.106 1.00772.46 O ATOM 62171 C2* U 9 76 172.337 69.651 12.925 1.00772.46 C ATOM 62172 O2* U 9 76 173.073 70.458 13.822 1.00772.46 O ATOM 62173 C1* U 9 76 171.703 68.478 13.682 1.00772.46 C ATOM 62174 N1 U 9 76 171.648 67.227 12.904 1.00772.46 N ATOM 62175 C2 U 9 76 172.718 66.349 13.012 1.00772.46 C ATOM 62176 O2 U 9 76 173.695 66.568 13.714 1.00772.46 O ATOM 62177 N3 U 9 76 172.603 65.203 12.265 1.00772.46 N ATOM 62178 C4 U 9 76 171.556 64.849 11.437 1.00772.46 C ATOM 62179 O4 U 9 76 171.599 63.778 10.831 1.00772.46 O ATOM 62180 C5 U 9 76 170.492 65.804 11.380 1.00772.46 C ATOM 62181 C6 U 9 76 170.572 66.930 12.095 1.00772.46 C ATOM 62182 P G 9 77 171.565 72.242 10.597 1.00772.46 P ATOM 62183 O1P G 9 77 170.754 71.384 9.694 1.00772.46 O ATOM 62184 O2P G 9 77 173.025 72.374 10.366 1.00772.46 O ATOM 62185 O5* G 9 77 170.927 73.704 10.577 1.00772.46 O ATOM 62186 C5* G 9 77 170.616 74.388 11.789 1.00772.46 C ATOM 62187 C4* G 9 77 169.770 75.606 11.504 1.00772.46 C ATOM 62188 O4* G 9 77 168.593 75.213 10.751 1.00772.46 O ATOM 62189 C3* G 9 77 169.216 76.300 12.738 1.00772.46 C ATOM 62190 O3* G 9 77 170.168 77.215 13.270 1.00772.46 O ATOM 62191 C2* G 9 77 167.990 77.017 12.184 1.00772.46 C ATOM 62192 O2* G 9 77 168.302 78.238 11.543 1.00772.46 O ATOM 62193 C1* G 9 77 167.484 76.005 11.150 1.00772.46 C ATOM 62194 N9 G 9 77 166.433 75.120 11.648 1.00772.46 N ATOM 62195 C8 G 9 77 166.556 73.799 12.006 1.00772.46 C ATOM 62196 N7 G 9 77 165.434 73.271 12.411 1.00772.46 N ATOM 62197 C5 G 9 77 164.512 74.305 12.316 1.00772.46 C ATOM 62198 C6 G 9 77 163.126 74.330 12.620 1.00772.46 C ATOM 62199 O6 G 9 77 162.411 73.414 13.044 1.00772.46 O ATOM 62200 N1 G 9 77 162.574 75.583 12.380 1.00772.46 N ATOM 62201 C2 G 9 77 163.263 76.673 11.910 1.00772.46 C ATOM 62202 N2 G 9 77 162.551 77.798 11.744 1.00772.46 N ATOM 62203 N3 G 9 77 164.554 76.664 11.622 1.00772.46 N ATOM 62204 C4 G 9 77 165.112 75.454 11.849 1.00772.46 C ATOM 62205 P A 9 78 170.744 76.994 14.756 1.00772.46 P ATOM 62206 O1P A 9 78 171.612 78.160 15.068 1.00772.46 O ATOM 62207 O2P A 9 78 171.305 75.621 14.837 1.00772.46 O ATOM 62208 O5* A 9 78 169.455 77.061 15.689 1.00772.46 O ATOM 62209 C5* A 9 78 168.848 78.309 16.020 1.00772.46 C ATOM 62210 C4* A 9 78 167.583 78.080 16.816 1.00772.46 C ATOM 62211 O4* A 9 78 166.615 77.383 15.989 1.00772.46 O ATOM 62212 C3* A 9 78 167.729 77.209 18.054 1.00772.46 C ATOM 62213 O3* A 9 78 168.159 77.989 19.168 1.00772.46 O ATOM 62214 C2* A 9 78 166.316 76.667 18.240 1.00772.46 C ATOM 62215 O2* A 9 78 165.453 77.574 18.895 1.00772.46 O ATOM 62216 C1* A 9 78 165.864 76.483 16.788 1.00772.46 C ATOM 62217 N9 A 9 78 166.066 75.131 16.263 1.00772.46 N ATOM 62218 C8 A 9 78 167.236 74.556 15.827 1.00772.46 C ATOM 62219 N7 A 9 78 167.095 73.324 15.402 1.00772.46 N ATOM 62220 C5 A 9 78 165.741 73.066 15.573 1.00772.46 C ATOM 62221 C6 A 9 78 164.953 71.932 15.309 1.00772.46 C ATOM 62222 N6 A 9 78 165.437 70.799 14.793 1.00772.46 N ATOM 62223 N1 A 9 78 163.635 72.003 15.592 1.00772.46 N ATOM 62224 C2 A 9 78 163.151 73.140 16.106 1.00772.46 C ATOM 62225 N3 A 9 78 163.787 74.271 16.399 1.00772.46 N ATOM 62226 C4 A 9 78 165.097 74.169 16.104 1.00772.46 C ATOM 62227 P U 9 79 168.893 77.277 20.412 1.00772.46 P ATOM 62228 O1P U 9 79 169.667 78.325 21.121 1.00772.46 O ATOM 62229 O2P U 9 79 169.587 76.056 19.928 1.00772.46 O ATOM 62230 O5* U 9 79 167.692 76.823 21.359 1.00772.46 O ATOM 62231 C5* U 9 79 166.769 77.777 21.878 1.00772.46 C ATOM 62232 C4* U 9 79 165.645 77.077 22.609 1.00772.46 C ATOM 62233 O4* U 9 79 164.952 76.196 21.682 1.00772.46 O ATOM 62234 C3* U 9 79 166.063 76.169 23.756 1.00772.46 C ATOM 62235 O3* U 9 79 166.222 76.903 24.965 1.00772.46 O ATOM 62236 C2* U 9 79 164.897 75.192 23.832 1.00772.46 C ATOM 62237 O2* U 9 79 163.772 75.719 24.506 1.00772.46 O ATOM 62238 C1* U 9 79 164.570 75.003 22.350 1.00772.46 C ATOM 62239 N1 U 9 79 165.285 73.871 21.734 1.00772.46 N ATOM 62240 C2 U 9 79 164.797 72.590 21.966 1.00772.46 C ATOM 62241 O2 U 9 79 163.807 72.365 22.653 1.00772.46 O ATOM 62242 N3 U 9 79 165.515 71.582 21.365 1.00772.46 N ATOM 62243 C4 U 9 79 166.647 71.719 20.579 1.00772.46 C ATOM 62244 O4 U 9 79 167.194 70.714 20.120 1.00772.46 O ATOM 62245 C5 U 9 79 167.081 73.066 20.390 1.00772.46 C ATOM 62246 C6 U 9 79 166.406 74.068 20.957 1.00772.46 C ATOM 62247 P A 9 80 167.122 76.301 26.156 1.00772.46 P ATOM 62248 O1P A 9 80 167.182 77.329 27.226 1.00772.46 O ATOM 62249 O2P A 9 80 168.384 75.774 25.574 1.00772.46 O ATOM 62250 O5* A 9 80 166.272 75.067 26.701 1.00772.46 O ATOM 62251 C5* A 9 80 165.000 75.266 27.316 1.00772.46 C ATOM 62252 C4* A 9 80 164.259 73.952 27.440 1.00772.46 C ATOM 62253 O4* A 9 80 164.059 73.391 26.115 1.00772.46 O ATOM 62254 C3* A 9 80 164.977 72.852 28.207 1.00772.46 C ATOM 62255 O3* A 9 80 164.760 72.974 29.611 1.00772.46 O ATOM 62256 C2* A 9 80 164.321 71.595 27.647 1.00772.46 C ATOM 62257 O2* A 9 80 163.063 71.317 28.227 1.00772.46 O ATOM 62258 C1* A 9 80 164.143 71.976 26.178 1.00772.46 C ATOM 62259 N9 A 9 80 165.257 71.538 25.333 1.00772.46 N ATOM 62260 C8 A 9 80 166.405 72.228 25.017 1.00772.46 C ATOM 62261 N7 A 9 80 167.224 71.562 24.239 1.00772.46 N ATOM 62262 C5 A 9 80 166.575 70.354 24.029 1.00772.46 C ATOM 62263 C6 A 9 80 166.922 69.209 23.289 1.00772.46 C ATOM 62264 N6 A 9 80 168.057 69.091 22.595 1.00772.46 N ATOM 62265 N1 A 9 80 166.052 68.176 23.283 1.00772.46 N ATOM 62266 C2 A 9 80 164.912 68.295 23.977 1.00772.46 C ATOM 62267 N3 A 9 80 164.475 69.316 24.710 1.00772.46 N ATOM 62268 C4 A 9 80 165.363 70.326 24.695 1.00772.46 C ATOM 62269 P C 9 81 165.898 72.492 30.640 1.00772.46 P ATOM 62270 O1P C 9 81 165.317 72.558 32.005 1.00772.46 O ATOM 62271 O2P C 9 81 167.148 73.239 30.339 1.00772.46 O ATOM 62272 O5* C 9 81 166.133 70.959 30.273 1.00772.46 O ATOM 62273 C5* C 9 81 165.090 69.998 30.423 1.00772.46 C ATOM 62274 C4* C 9 81 165.486 68.688 29.779 1.00772.46 C ATOM 62275 O4* C 9 81 165.692 68.896 28.356 1.00772.46 O ATOM 62276 C3* C 9 81 166.793 68.083 30.266 1.00772.46 C ATOM 62277 O3* C 9 81 166.582 67.310 31.443 1.00772.46 O ATOM 62278 C2* C 9 81 167.208 67.212 29.084 1.00772.46 C ATOM 62279 O2* C 9 81 166.546 65.962 29.055 1.00772.46 O ATOM 62280 C1* C 9 81 166.751 68.065 27.900 1.00772.46 C ATOM 62281 N1 C 9 81 167.813 68.919 27.326 1.00772.46 N ATOM 62282 C2 C 9 81 168.723 68.356 26.410 1.00772.46 C ATOM 62283 O2 C 9 81 168.615 67.154 26.108 1.00772.46 O ATOM 62284 N3 C 9 81 169.691 69.137 25.880 1.00772.46 N ATOM 62285 C4 C 9 81 169.781 70.422 26.227 1.00772.46 C ATOM 62286 N4 C 9 81 170.754 71.150 25.675 1.00772.46 N ATOM 62287 C5 C 9 81 168.877 71.020 27.154 1.00772.46 C ATOM 62288 C6 C 9 81 167.920 70.239 27.674 1.00772.46 C ATOM 62289 P U 9 82 167.741 67.218 32.556 1.00772.46 P ATOM 62290 O1P U 9 82 167.255 66.311 33.627 1.00772.46 O ATOM 62291 O2P U 9 82 168.172 68.596 32.903 1.00772.46 O ATOM 62292 O5* U 9 82 168.945 66.495 31.801 1.00772.46 O ATOM 62293 C5* U 9 82 168.809 65.165 31.305 1.00772.46 C ATOM 62294 C4* U 9 82 169.925 64.851 30.335 1.00772.46 C ATOM 62295 O4* U 9 82 169.837 65.752 29.199 1.00772.46 O ATOM 62296 C3* U 9 82 171.335 65.049 30.867 1.00772.46 C ATOM 62297 O3* U 9 82 171.778 63.898 31.580 1.00772.46 O ATOM 62298 C2* U 9 82 172.134 65.281 29.590 1.00772.46 C ATOM 62299 O2* U 9 82 172.463 64.085 28.911 1.00772.46 O ATOM 62300 C1* U 9 82 171.141 66.094 28.756 1.00772.46 C ATOM 62301 N1 U 9 82 171.318 67.550 28.893 1.00772.46 N ATOM 62302 C2 U 9 82 172.167 68.187 27.998 1.00772.46 C ATOM 62303 O2 U 9 82 172.766 67.598 27.111 1.00772.46 O ATOM 62304 N3 U 9 82 172.293 69.541 28.183 1.00772.46 N ATOM 62305 C4 U 9 82 171.671 70.311 29.145 1.00772.46 C ATOM 62306 O4 U 9 82 171.888 71.524 29.180 1.00772.46 O ATOM 62307 C5 U 9 82 170.809 69.587 30.025 1.00772.46 C ATOM 62308 C6 U 9 82 170.664 68.266 29.874 1.00772.46 C ATOM 62309 P C 9 83 172.957 64.033 32.667 1.00772.46 P ATOM 62310 O1P C 9 83 172.695 63.019 33.723 1.00772.46 O ATOM 62311 O2P C 9 83 173.105 65.463 33.048 1.00772.46 O ATOM 62312 O5* C 9 83 174.265 63.600 31.866 1.00772.46 O ATOM 62313 C5* C 9 83 174.573 62.222 31.657 1.00772.46 C ATOM 62314 C4* C 9 83 176.001 62.066 31.190 1.00772.46 C ATOM 62315 O4* C 9 83 176.145 62.624 29.857 1.00772.46 O ATOM 62316 C3* C 9 83 177.049 62.798 32.015 1.00772.46 C ATOM 62317 O3* C 9 83 177.425 62.045 33.162 1.00772.46 O ATOM 62318 C2* C 9 83 178.195 62.943 31.021 1.00772.46 C ATOM 62319 O2* C 9 83 178.979 61.770 30.902 1.00772.46 O ATOM 62320 C1* C 9 83 177.437 63.196 29.716 1.00772.46 C ATOM 62321 N1 C 9 83 177.291 64.629 29.389 1.00772.46 N ATOM 62322 C2 C 9 83 178.314 65.268 28.666 1.00772.46 C ATOM 62323 O2 C 9 83 179.311 64.614 28.318 1.00772.46 O ATOM 62324 N3 C 9 83 178.188 66.581 28.368 1.00772.46 N ATOM 62325 C4 C 9 83 177.103 67.254 28.757 1.00772.46 C ATOM 62326 N4 C 9 83 177.022 68.550 28.441 1.00772.46 N ATOM 62327 C5 C 9 83 176.051 66.632 29.490 1.00772.46 C ATOM 62328 C6 C 9 83 176.185 65.332 29.782 1.00772.46 C ATOM 62329 P G 9 84 177.693 62.802 34.555 1.00772.46 P ATOM 62330 O1P G 9 84 178.153 61.782 35.532 1.00772.46 O ATOM 62331 O2P G 9 84 176.504 63.634 34.874 1.00772.46 O ATOM 62332 O5* G 9 84 178.912 63.777 34.236 1.00772.46 O ATOM 62333 C5* G 9 84 180.217 63.260 33.987 1.00772.46 C ATOM 62334 C4* G 9 84 181.173 64.377 33.639 1.00772.46 C ATOM 62335 O4* G 9 84 180.780 64.985 32.380 1.00772.46 O ATOM 62336 C3* G 9 84 181.219 65.546 34.610 1.00772.46 C ATOM 62337 O3* G 9 84 182.063 65.263 35.724 1.00772.46 O ATOM 62338 C2* G 9 84 181.781 66.663 33.739 1.00772.46 C ATOM 62339 O2* G 9 84 183.187 66.609 33.601 1.00772.46 O ATOM 62340 C1* G 9 84 181.114 66.364 32.393 1.00772.46 C ATOM 62341 N9 G 9 84 179.902 67.145 32.161 1.00772.46 N ATOM 62342 C8 G 9 84 178.608 66.792 32.467 1.00772.46 C ATOM 62343 N7 G 9 84 177.737 67.707 32.141 1.00772.46 N ATOM 62344 C5 G 9 84 178.498 68.727 31.587 1.00772.46 C ATOM 62345 C6 G 9 84 178.104 69.982 31.051 1.00772.46 C ATOM 62346 O6 G 9 84 176.966 70.458 30.959 1.00772.46 O ATOM 62347 N1 G 9 84 179.198 70.708 30.595 1.00772.46 N ATOM 62348 C2 G 9 84 180.503 70.286 30.645 1.00772.46 C ATOM 62349 N2 G 9 84 181.419 71.134 30.151 1.00772.46 N ATOM 62350 N3 G 9 84 180.885 69.120 31.140 1.00772.46 N ATOM 62351 C4 G 9 84 179.837 68.397 31.591 1.00772.46 C ATOM 62352 P G 9 85 181.840 66.045 37.110 1.00772.46 P ATOM 62353 O1P G 9 85 182.782 65.462 38.100 1.00772.46 O ATOM 62354 O2P G 9 85 180.388 66.075 37.412 1.00772.46 O ATOM 62355 O5* G 9 85 182.314 67.533 36.789 1.00772.46 O ATOM 62356 C5* G 9 85 183.686 67.825 36.532 1.00772.46 C ATOM 62357 C4* G 9 85 183.855 69.276 36.142 1.00772.46 C ATOM 62358 O4* G 9 85 183.176 69.524 34.882 1.00772.46 O ATOM 62359 C3* G 9 85 183.255 70.301 37.090 1.00772.46 C ATOM 62360 O3* G 9 85 184.128 70.568 38.185 1.00772.46 O ATOM 62361 C2* G 9 85 183.089 71.515 36.185 1.00772.46 C ATOM 62362 O2* G 9 85 184.287 72.248 36.011 1.00772.46 O ATOM 62363 C1* G 9 85 182.688 70.858 34.863 1.00772.46 C ATOM 62364 N9 G 9 85 181.243 70.829 34.647 1.00772.46 N ATOM 62365 C8 G 9 85 180.386 69.777 34.869 1.00772.46 C ATOM 62366 N7 G 9 85 179.144 70.061 34.584 1.00772.46 N ATOM 62367 C5 G 9 85 179.182 71.377 34.147 1.00772.46 C ATOM 62368 C6 G 9 85 178.136 72.230 33.700 1.00772.46 C ATOM 62369 O6 G 9 85 176.928 71.982 33.600 1.00772.46 O ATOM 62370 N1 G 9 85 178.618 73.487 33.351 1.00772.46 N ATOM 62371 C2 G 9 85 179.932 73.877 33.420 1.00772.46 C ATOM 62372 N2 G 9 85 180.197 75.135 33.040 1.00772.46 N ATOM 62373 N3 G 9 85 180.914 73.095 33.833 1.00772.46 N ATOM 62374 C4 G 9 85 180.470 71.866 34.179 1.00772.46 C ATOM 62375 P A 9 86 183.528 71.132 39.563 1.00772.46 P ATOM 62376 O1P A 9 86 184.652 71.215 40.534 1.00772.46 O ATOM 62377 O2P A 9 86 182.317 70.346 39.912 1.00772.46 O ATOM 62378 O5* A 9 86 183.072 72.617 39.206 1.00772.46 O ATOM 62379 C5* A 9 86 184.031 73.616 38.865 1.00772.46 C ATOM 62380 C4* A 9 86 183.344 74.922 38.537 1.00772.46 C ATOM 62381 O4* A 9 86 182.528 74.757 37.347 1.00772.46 O ATOM 62382 C3* A 9 86 182.371 75.447 39.578 1.00772.46 C ATOM 62383 O3* A 9 86 183.052 76.156 40.613 1.00772.46 O ATOM 62384 C2* A 9 86 181.483 76.369 38.752 1.00772.46 C ATOM 62385 O2* A 9 86 182.058 77.640 38.523 1.00772.46 O ATOM 62386 C1* A 9 86 181.388 75.600 37.432 1.00772.46 C ATOM 62387 N9 A 9 86 180.184 74.774 37.324 1.00772.46 N ATOM 62388 C8 A 9 86 180.056 73.418 37.503 1.00772.46 C ATOM 62389 N7 A 9 86 178.834 72.974 37.337 1.00772.46 N ATOM 62390 C5 A 9 86 178.105 74.110 37.027 1.00772.46 C ATOM 62391 C6 A 9 86 176.741 74.313 36.737 1.00772.46 C ATOM 62392 N6 A 9 86 175.835 73.333 36.713 1.00772.46 N ATOM 62393 N1 A 9 86 176.338 75.575 36.469 1.00772.46 N ATOM 62394 C2 A 9 86 177.245 76.557 36.496 1.00772.46 C ATOM 62395 N3 A 9 86 178.550 76.494 36.754 1.00772.46 N ATOM 62396 C4 A 9 86 178.920 75.228 37.015 1.00772.46 C ATOM 62397 P C 9 87 182.362 76.314 42.056 1.00772.46 P ATOM 62398 O1P C 9 87 183.254 77.165 42.882 1.00772.46 O ATOM 62399 O2P C 9 87 181.976 74.964 42.546 1.00772.46 O ATOM 62400 O5* C 9 87 181.033 77.139 41.754 1.00772.46 O ATOM 62401 C5* C 9 87 180.049 77.347 42.762 1.00772.46 C ATOM 62402 C4* C 9 87 179.028 78.357 42.292 1.00772.46 C ATOM 62403 O4* C 9 87 178.442 77.902 41.045 1.00772.46 O ATOM 62404 C3* C 9 87 177.838 78.568 43.213 1.00772.46 C ATOM 62405 O3* C 9 87 178.148 79.504 44.241 1.00772.46 O ATOM 62406 C2* C 9 87 176.778 79.098 42.254 1.00772.46 C ATOM 62407 O2* C 9 87 176.920 80.478 41.975 1.00772.46 O ATOM 62408 C1* C 9 87 177.073 78.283 40.993 1.00772.46 C ATOM 62409 N1 C 9 87 176.245 77.065 40.864 1.00772.46 N ATOM 62410 C2 C 9 87 174.991 77.160 40.233 1.00772.46 C ATOM 62411 O2 C 9 87 174.613 78.261 39.800 1.00772.46 O ATOM 62412 N3 C 9 87 174.227 76.051 40.115 1.00772.46 N ATOM 62413 C4 C 9 87 174.664 74.885 40.593 1.00772.46 C ATOM 62414 N4 C 9 87 173.876 73.816 40.453 1.00772.46 N ATOM 62415 C5 C 9 87 175.931 74.758 41.237 1.00772.46 C ATOM 62416 C6 C 9 87 176.680 75.861 41.349 1.00772.46 C ATOM 62417 P C 9 88 177.288 79.519 45.598 1.00772.46 P ATOM 62418 O1P C 9 88 177.992 80.412 46.554 1.00772.46 O ATOM 62419 O2P C 9 88 176.991 78.117 45.990 1.00772.46 O ATOM 62420 O5* C 9 88 175.919 80.218 45.176 1.00772.46 O ATOM 62421 C5* C 9 88 175.889 81.587 44.770 1.00772.46 C ATOM 62422 C4* C 9 88 174.486 81.993 44.384 1.00772.46 C ATOM 62423 O4* C 9 88 174.059 81.219 43.234 1.00772.46 O ATOM 62424 C3* C 9 88 173.411 81.734 45.430 1.00772.46 C ATOM 62425 O3* C 9 88 173.357 82.798 46.376 1.00772.46 O ATOM 62426 C2* C 9 88 172.147 81.654 44.582 1.00772.46 C ATOM 62427 O2* C 9 88 171.628 82.924 44.238 1.00772.46 O ATOM 62428 C1* C 9 88 172.668 80.952 43.324 1.00772.46 C ATOM 62429 N1 C 9 88 172.466 79.487 43.338 1.00772.46 N ATOM 62430 C2 C 9 88 171.263 78.963 42.837 1.00772.46 C ATOM 62431 O2 C 9 88 170.399 79.740 42.394 1.00772.46 O ATOM 62432 N3 C 9 88 171.072 77.623 42.850 1.00772.46 N ATOM 62433 C4 C 9 88 172.020 76.817 43.335 1.00772.46 C ATOM 62434 N4 C 9 88 171.784 75.502 43.326 1.00772.46 N ATOM 62435 C5 C 9 88 173.249 77.321 43.847 1.00772.46 C ATOM 62436 C6 C 9 88 173.428 78.648 43.831 1.00772.46 C ATOM 62437 P G 9 89 172.968 82.488 47.905 1.00772.46 P ATOM 62438 O1P G 9 89 173.145 83.750 48.668 1.00772.46 O ATOM 62439 O2P G 9 89 173.690 81.263 48.339 1.00772.46 O ATOM 62440 O5* G 9 89 171.409 82.152 47.846 1.00772.46 O ATOM 62441 C5* G 9 89 170.447 83.174 47.599 1.00772.46 C ATOM 62442 C4* G 9 89 169.058 82.581 47.519 1.00772.46 C ATOM 62443 O4* G 9 89 168.986 81.683 46.380 1.00772.46 O ATOM 62444 C3* G 9 89 168.636 81.725 48.702 1.00772.46 C ATOM 62445 O3* G 9 89 168.116 82.525 49.759 1.00772.46 O ATOM 62446 C2* G 9 89 167.565 80.833 48.086 1.00772.46 C ATOM 62447 O2* G 9 89 166.306 81.466 47.977 1.00772.46 O ATOM 62448 C1* G 9 89 168.146 80.583 46.692 1.00772.46 C ATOM 62449 N9 G 9 89 168.933 79.357 46.607 1.00772.46 N ATOM 62450 C8 G 9 89 170.296 79.231 46.739 1.00772.46 C ATOM 62451 N7 G 9 89 170.710 77.998 46.623 1.00772.46 N ATOM 62452 C5 G 9 89 169.554 77.265 46.399 1.00772.46 C ATOM 62453 C6 G 9 89 169.373 75.872 46.198 1.00772.46 C ATOM 62454 O6 G 9 89 170.228 74.979 46.177 1.00772.46 O ATOM 62455 N1 G 9 89 168.032 75.554 46.011 1.00772.46 N ATOM 62456 C2 G 9 89 166.998 76.455 46.014 1.00772.46 C ATOM 62457 N2 G 9 89 165.772 75.955 45.813 1.00772.46 N ATOM 62458 N3 G 9 89 167.153 77.756 46.200 1.00772.46 N ATOM 62459 C4 G 9 89 168.447 78.088 46.386 1.00772.46 C ATOM 62460 P C 9 90 168.470 82.161 51.284 1.00772.46 P ATOM 62461 O1P C 9 90 167.743 83.127 52.149 1.00772.46 O ATOM 62462 O2P C 9 90 169.946 82.036 51.406 1.00772.46 O ATOM 62463 O5* C 9 90 167.821 80.722 51.502 1.00772.46 O ATOM 62464 C5* C 9 90 168.167 79.928 52.636 1.00772.46 C ATOM 62465 C4* C 9 90 167.069 78.931 52.934 1.00772.46 C ATOM 62466 O4* C 9 90 165.856 79.646 53.288 1.00772.46 O ATOM 62467 C3* C 9 90 166.655 78.028 51.783 1.00772.46 C ATOM 62468 O3* C 9 90 167.508 76.890 51.695 1.00772.46 O ATOM 62469 C2* C 9 90 165.233 77.636 52.172 1.00772.46 C ATOM 62470 O2* C 9 90 165.185 76.584 53.116 1.00772.46 O ATOM 62471 C1* C 9 90 164.724 78.929 52.816 1.00772.46 C ATOM 62472 N1 C 9 90 163.966 79.795 51.891 1.00772.46 N ATOM 62473 C2 C 9 90 162.582 79.591 51.749 1.00772.46 C ATOM 62474 O2 C 9 90 162.032 78.691 52.405 1.00772.46 O ATOM 62475 N3 C 9 90 161.881 80.379 50.902 1.00772.46 N ATOM 62476 C4 C 9 90 162.503 81.339 50.212 1.00772.46 C ATOM 62477 N4 C 9 90 161.771 82.093 49.389 1.00772.46 N ATOM 62478 C5 C 9 90 163.905 81.568 50.335 1.00772.46 C ATOM 62479 C6 C 9 90 164.589 80.783 51.177 1.00772.46 C ATOM 62480 P A 9 91 167.822 76.233 50.260 1.00772.46 P ATOM 62481 O1P A 9 91 168.734 75.086 50.489 1.00772.46 O ATOM 62482 O2P A 9 91 168.224 77.318 49.329 1.00772.46 O ATOM 62483 O5* A 9 91 166.412 75.662 49.779 1.00772.46 O ATOM 62484 C5* A 9 91 165.776 74.595 50.480 1.00772.46 C ATOM 62485 C4* A 9 91 164.376 74.376 49.950 1.00772.46 C ATOM 62486 O4* A 9 91 163.595 75.582 50.162 1.00772.46 O ATOM 62487 C3* A 9 91 164.263 74.111 48.457 1.00772.46 C ATOM 62488 O3* A 9 91 164.462 72.726 48.175 1.00772.46 O ATOM 62489 C2* A 9 91 162.835 74.554 48.157 1.00772.46 C ATOM 62490 O2* A 9 91 161.868 73.577 48.490 1.00772.46 O ATOM 62491 C1* A 9 91 162.690 75.763 49.086 1.00772.46 C ATOM 62492 N9 A 9 91 162.993 77.041 48.436 1.00772.46 N ATOM 62493 C8 A 9 91 164.226 77.602 48.206 1.00772.46 C ATOM 62494 N7 A 9 91 164.174 78.765 47.602 1.00772.46 N ATOM 62495 C5 A 9 91 162.816 78.985 47.419 1.00772.46 C ATOM 62496 C6 A 9 91 162.098 80.044 46.835 1.00772.46 C ATOM 62497 N6 A 9 91 162.676 81.125 46.303 1.00772.46 N ATOM 62498 N1 A 9 91 160.751 79.954 46.813 1.00772.46 N ATOM 62499 C2 A 9 91 160.173 78.871 47.347 1.00772.46 C ATOM 62500 N3 A 9 91 160.736 77.812 47.924 1.00772.46 N ATOM 62501 C4 A 9 91 162.075 77.932 47.929 1.00772.46 C ATOM 62502 P G 9 92 164.953 72.272 46.710 1.00772.46 P ATOM 62503 O1P G 9 92 165.248 70.818 46.783 1.00772.46 O ATOM 62504 O2P G 9 92 166.010 73.209 46.249 1.00772.46 O ATOM 62505 O5* G 9 92 163.669 72.475 45.792 1.00772.46 O ATOM 62506 C5* G 9 92 162.521 71.640 45.942 1.00772.46 C ATOM 62507 C4* G 9 92 161.370 72.168 45.116 1.00772.46 C ATOM 62508 O4* G 9 92 161.011 73.492 45.589 1.00772.46 O ATOM 62509 C3* G 9 92 161.644 72.364 43.632 1.00772.46 C ATOM 62510 O3* G 9 92 161.454 71.150 42.908 1.00772.46 O ATOM 62511 C2* G 9 92 160.593 73.400 43.249 1.00772.46 C ATOM 62512 O2* G 9 92 159.315 72.841 43.025 1.00772.46 O ATOM 62513 C1* G 9 92 160.560 74.282 44.499 1.00772.46 C ATOM 62514 N9 G 9 92 161.410 75.466 44.395 1.00772.46 N ATOM 62515 C8 G 9 92 162.740 75.570 44.729 1.00772.46 C ATOM 62516 N7 G 9 92 163.231 76.760 44.518 1.00772.46 N ATOM 62517 C5 G 9 92 162.161 77.489 44.016 1.00772.46 C ATOM 62518 C6 G 9 92 162.086 78.844 43.601 1.00772.46 C ATOM 62519 O6 G 9 92 162.980 79.700 43.597 1.00772.46 O ATOM 62520 N1 G 9 92 160.809 79.173 43.159 1.00772.46 N ATOM 62521 C2 G 9 92 159.742 78.313 43.118 1.00772.46 C ATOM 62522 N2 G 9 92 158.591 78.821 42.657 1.00772.46 N ATOM 62523 N3 G 9 92 159.798 77.048 43.500 1.00772.46 N ATOM 62524 C4 G 9 92 161.029 76.706 43.934 1.00772.46 C ATOM 62525 P G 9 93 162.560 70.670 41.840 1.00772.46 P ATOM 62526 O1P G 9 93 161.940 69.603 41.016 1.00772.46 O ATOM 62527 O2P G 9 93 163.821 70.390 42.570 1.00772.46 O ATOM 62528 O5* G 9 93 162.795 71.941 40.905 1.00772.46 O ATOM 62529 C5* G 9 93 161.702 72.612 40.283 1.00772.46 C ATOM 62530 C4* G 9 93 162.088 74.034 39.941 1.00772.46 C ATOM 62531 O4* G 9 93 162.552 74.696 41.150 1.00772.46 O ATOM 62532 C3* G 9 93 163.243 74.188 38.961 1.00772.46 C ATOM 62533 O3* G 9 93 162.788 74.124 37.614 1.00772.46 O ATOM 62534 C2* G 9 93 163.783 75.566 39.322 1.00772.46 C ATOM 62535 O2* G 9 93 163.011 76.624 38.782 1.00772.46 O ATOM 62536 C1* G 9 93 163.643 75.551 40.844 1.00772.46 C ATOM 62537 N9 G 9 93 164.836 75.037 41.514 1.00772.46 N ATOM 62538 C8 G 9 93 165.048 73.754 41.963 1.00772.46 C ATOM 62539 N7 G 9 93 166.223 73.590 42.508 1.00772.46 N ATOM 62540 C5 G 9 93 166.824 74.839 42.417 1.00772.46 C ATOM 62541 C6 G 9 93 168.106 75.271 42.839 1.00772.46 C ATOM 62542 O6 G 9 93 168.997 74.617 43.397 1.00772.46 O ATOM 62543 N1 G 9 93 168.310 76.618 42.554 1.00772.46 N ATOM 62544 C2 G 9 93 167.400 77.442 41.938 1.00772.46 C ATOM 62545 N2 G 9 93 167.784 78.714 41.750 1.00772.46 N ATOM 62546 N3 G 9 93 166.200 77.049 41.540 1.00772.46 N ATOM 62547 C4 G 9 93 165.981 75.745 41.809 1.00772.46 C ATOM 62548 P G 9 94 163.822 73.763 36.435 1.00772.46 P ATOM 62549 O1P G 9 94 163.033 73.625 35.185 1.00772.46 O ATOM 62550 O2P G 9 94 164.682 72.639 36.886 1.00772.46 O ATOM 62551 O5* G 9 94 164.732 75.065 36.305 1.00772.46 O ATOM 62552 C5* G 9 94 164.156 76.330 35.984 1.00772.46 C ATOM 62553 C4* G 9 94 165.157 77.441 36.212 1.00772.46 C ATOM 62554 O4* G 9 94 165.573 77.433 37.603 1.00772.46 O ATOM 62555 C3* G 9 94 166.460 77.340 35.436 1.00772.46 C ATOM 62556 O3* G 9 94 166.312 77.868 34.120 1.00772.46 O ATOM 62557 C2* G 9 94 167.404 78.180 36.286 1.00772.46 C ATOM 62558 O2* G 9 94 167.253 79.572 36.076 1.00772.46 O ATOM 62559 C1* G 9 94 166.935 77.824 37.698 1.00772.46 C ATOM 62560 N9 G 9 94 167.698 76.730 38.298 1.00772.46 N ATOM 62561 C8 G 9 94 167.306 75.419 38.441 1.00772.46 C ATOM 62562 N7 G 9 94 168.210 74.674 39.015 1.00772.46 N ATOM 62563 C5 G 9 94 169.264 75.543 39.269 1.00772.46 C ATOM 62564 C6 G 9 94 170.525 75.307 39.876 1.00772.46 C ATOM 62565 O6 G 9 94 170.978 74.248 40.326 1.00772.46 O ATOM 62566 N1 G 9 94 171.290 76.468 39.933 1.00772.46 N ATOM 62567 C2 G 9 94 170.895 77.697 39.468 1.00772.46 C ATOM 62568 N2 G 9 94 171.776 78.696 39.615 1.00772.46 N ATOM 62569 N3 G 9 94 169.721 77.930 38.899 1.00772.46 N ATOM 62570 C4 G 9 94 168.964 76.815 38.834 1.00772.46 C ATOM 62571 P U 9 95 167.350 77.443 32.965 1.00772.46 P ATOM 62572 O1P U 9 95 166.834 77.992 31.687 1.00772.46 O ATOM 62573 O2P U 9 95 167.618 75.984 33.080 1.00772.46 O ATOM 62574 O5* U 9 95 168.686 78.225 33.340 1.00772.46 O ATOM 62575 C5* U 9 95 168.701 79.648 33.424 1.00772.46 C ATOM 62576 C4* U 9 95 170.094 80.146 33.732 1.00772.46 C ATOM 62577 O4* U 9 95 170.524 79.626 35.016 1.00772.46 O ATOM 62578 C3* U 9 95 171.186 79.708 32.769 1.00772.46 C ATOM 62579 O3* U 9 95 171.223 80.551 31.623 1.00772.46 O ATOM 62580 C2* U 9 95 172.440 79.847 33.624 1.00772.46 C ATOM 62581 O2* U 9 95 172.917 81.176 33.701 1.00772.46 O ATOM 62582 C1* U 9 95 171.928 79.403 34.996 1.00772.46 C ATOM 62583 N1 U 9 95 172.190 77.984 35.292 1.00772.46 N ATOM 62584 C2 U 9 95 173.408 77.659 35.875 1.00772.46 C ATOM 62585 O2 U 9 95 174.259 78.491 36.154 1.00772.46 O ATOM 62586 N3 U 9 95 173.593 76.321 36.123 1.00772.46 N ATOM 62587 C4 U 9 95 172.711 75.294 35.855 1.00772.46 C ATOM 62588 O4 U 9 95 173.027 74.138 36.137 1.00772.46 O ATOM 62589 C5 U 9 95 171.479 75.707 35.258 1.00772.46 C ATOM 62590 C6 U 9 95 171.264 77.002 35.003 1.00772.46 C ATOM 62591 P C 9 96 171.867 80.010 30.254 1.00772.46 P ATOM 62592 O1P C 9 96 171.601 81.030 29.208 1.00772.46 O ATOM 62593 O2P C 9 96 171.420 78.609 30.039 1.00772.46 O ATOM 62594 O5* C 9 96 173.433 79.992 30.547 1.00772.46 O ATOM 62595 C5* C 9 96 174.146 81.206 30.782 1.00772.46 C ATOM 62596 C4* C 9 96 175.591 80.913 31.119 1.00772.46 C ATOM 62597 O4* C 9 96 175.657 80.174 32.365 1.00772.46 O ATOM 62598 C3* C 9 96 176.340 80.040 30.126 1.00772.46 C ATOM 62599 O3* C 9 96 176.841 80.814 29.040 1.00772.46 O ATOM 62600 C2* C 9 96 177.459 79.464 30.984 1.00772.46 C ATOM 62601 O2* C 9 96 178.546 80.354 31.153 1.00772.46 O ATOM 62602 C1* C 9 96 176.742 79.262 32.323 1.00772.46 C ATOM 62603 N1 C 9 96 176.226 77.891 32.516 1.00772.46 N ATOM 62604 C2 C 9 96 177.077 76.915 33.061 1.00772.46 C ATOM 62605 O2 C 9 96 178.240 77.226 33.370 1.00772.46 O ATOM 62606 N3 C 9 96 176.611 75.658 33.239 1.00772.46 N ATOM 62607 C4 C 9 96 175.356 75.355 32.897 1.00772.46 C ATOM 62608 N4 C 9 96 174.941 74.100 33.093 1.00772.46 N ATOM 62609 C5 C 9 96 174.470 76.324 32.341 1.00772.46 C ATOM 62610 C6 C 9 96 174.942 77.567 32.171 1.00772.46 C ATOM 62611 P C 9 97 177.090 80.118 27.611 1.00772.46 P ATOM 62612 O1P C 9 97 177.457 81.195 26.657 1.00772.46 O ATOM 62613 O2P C 9 97 175.936 79.232 27.309 1.00772.46 O ATOM 62614 O5* C 9 97 178.371 79.202 27.850 1.00772.46 O ATOM 62615 C5* C 9 97 179.657 79.783 28.070 1.00772.46 C ATOM 62616 C4* C 9 97 180.700 78.703 28.243 1.00772.46 C ATOM 62617 O4* C 9 97 180.425 77.952 29.455 1.00772.46 O ATOM 62618 C3* C 9 97 180.751 77.649 27.151 1.00772.46 C ATOM 62619 O3* C 9 97 181.528 78.100 26.045 1.00772.46 O ATOM 62620 C2* C 9 97 181.406 76.472 27.867 1.00772.46 C ATOM 62621 O2* C 9 97 182.816 76.579 27.937 1.00772.46 O ATOM 62622 C1* C 9 97 180.807 76.598 29.272 1.00772.46 C ATOM 62623 N1 C 9 97 179.631 75.733 29.502 1.00772.46 N ATOM 62624 C2 C 9 97 179.836 74.403 29.916 1.00772.46 C ATOM 62625 O2 C 9 97 180.997 73.990 30.075 1.00772.46 O ATOM 62626 N3 C 9 97 178.764 73.608 30.132 1.00772.46 N ATOM 62627 C4 C 9 97 177.531 74.085 29.953 1.00772.46 C ATOM 62628 N4 C 9 97 176.504 73.261 30.180 1.00772.46 N ATOM 62629 C5 C 9 97 177.293 75.425 29.533 1.00772.46 C ATOM 62630 C6 C 9 97 178.361 76.207 29.322 1.00772.46 C ATOM 62631 P C 9 98 181.201 77.561 24.565 1.00772.46 P ATOM 62632 O1P C 9 98 182.095 78.284 23.625 1.00772.46 O ATOM 62633 O2P C 9 98 179.730 77.608 24.360 1.00772.46 O ATOM 62634 O5* C 9 98 181.650 76.032 24.605 1.00772.46 O ATOM 62635 C5* C 9 98 183.022 75.675 24.770 1.00772.46 C ATOM 62636 C4* C 9 98 183.150 74.196 25.052 1.00772.46 C ATOM 62637 O4* C 9 98 182.475 73.886 26.301 1.00772.46 O ATOM 62638 C3* C 9 98 182.500 73.268 24.037 1.00772.46 C ATOM 62639 O3* C 9 98 183.360 73.031 22.926 1.00772.46 O ATOM 62640 C2* C 9 98 182.261 72.008 24.859 1.00772.46 C ATOM 62641 O2* C 9 98 183.418 71.205 24.996 1.00772.46 O ATOM 62642 C1* C 9 98 181.878 72.601 26.216 1.00772.46 C ATOM 62643 N1 C 9 98 180.419 72.743 26.402 1.00772.46 N ATOM 62644 C2 C 9 98 179.693 71.662 26.937 1.00772.46 C ATOM 62645 O2 C 9 98 180.296 70.621 27.246 1.00772.46 O ATOM 62646 N3 C 9 98 178.357 71.784 27.104 1.00772.46 N ATOM 62647 C4 C 9 98 177.740 72.918 26.762 1.00772.46 C ATOM 62648 N4 C 9 98 176.420 72.990 26.944 1.00772.46 N ATOM 62649 C5 C 9 98 178.450 74.030 26.218 1.00772.46 C ATOM 62650 C6 C 9 98 179.772 73.900 26.057 1.00772.46 C ATOM 62651 P G 9 99 182.736 72.535 21.528 1.00772.46 P ATOM 62652 O1P G 9 99 183.860 72.392 20.571 1.00772.46 O ATOM 62653 O2P G 9 99 181.589 73.416 21.186 1.00772.46 O ATOM 62654 O5* G 9 99 182.181 71.079 21.858 1.00772.46 O ATOM 62655 C5* G 9 99 181.113 70.507 21.106 1.00772.46 C ATOM 62656 C4* G 9 99 180.837 69.101 21.587 1.00772.46 C ATOM 62657 O4* G 9 99 180.607 69.121 23.021 1.00772.46 O ATOM 62658 C3* G 9 99 179.591 68.441 21.016 1.00772.46 C ATOM 62659 O3* G 9 99 179.853 67.844 19.749 1.00772.46 O ATOM 62660 C2* G 9 99 179.268 67.400 22.080 1.00772.46 C ATOM 62661 O2* G 9 99 180.058 66.232 21.977 1.00772.46 O ATOM 62662 C1* G 9 99 179.625 68.155 23.362 1.00772.46 C ATOM 62663 N9 G 9 99 178.483 68.843 23.961 1.00772.46 N ATOM 62664 C8 G 9 99 178.233 70.195 23.965 1.00772.46 C ATOM 62665 N7 G 9 99 177.125 70.509 24.581 1.00772.46 N ATOM 62666 C5 G 9 99 176.612 69.294 25.009 1.00772.46 C ATOM 62667 C6 G 9 99 175.426 69.001 25.732 1.00772.46 C ATOM 62668 O6 G 9 99 174.566 69.783 26.152 1.00772.46 O ATOM 62669 N1 G 9 99 175.291 67.634 25.955 1.00772.46 N ATOM 62670 C2 G 9 99 176.177 66.672 25.539 1.00772.46 C ATOM 62671 N2 G 9 99 175.867 65.406 25.854 1.00772.46 N ATOM 62672 N3 G 9 99 177.284 66.933 24.864 1.00772.46 N ATOM 62673 C4 G 9 99 177.438 68.254 24.637 1.00772.46 C ATOM 62674 P G 9 100 178.654 67.647 18.696 1.00772.46 P ATOM 62675 O1P G 9 100 179.228 66.990 17.493 1.00772.46 O ATOM 62676 O2P G 9 100 177.936 68.940 18.553 1.00772.46 O ATOM 62677 O5* G 9 100 177.675 66.611 19.410 1.00772.46 O ATOM 62678 C5* G 9 100 178.118 65.294 19.738 1.00772.46 C ATOM 62679 C4* G 9 100 177.078 64.580 20.573 1.00772.46 C ATOM 62680 O4* G 9 100 176.872 65.305 21.815 1.00772.46 O ATOM 62681 C3* G 9 100 175.686 64.485 19.966 1.00772.46 C ATOM 62682 O3* G 9 100 175.591 63.376 19.077 1.00772.46 O ATOM 62683 C2* G 9 100 174.811 64.288 21.199 1.00772.46 C ATOM 62684 O2* G 9 100 174.808 62.954 21.664 1.00772.46 O ATOM 62685 C1* G 9 100 175.517 65.184 22.219 1.00772.46 C ATOM 62686 N9 G 9 100 174.936 66.521 22.326 1.00772.46 N ATOM 62687 C8 G 9 100 175.432 67.691 21.793 1.00772.46 C ATOM 62688 N7 G 9 100 174.691 68.729 22.060 1.00772.46 N ATOM 62689 C5 G 9 100 173.641 68.222 22.814 1.00772.46 C ATOM 62690 C6 G 9 100 172.521 68.877 23.390 1.00772.46 C ATOM 62691 O6 G 9 100 172.225 70.078 23.352 1.00772.46 O ATOM 62692 N1 G 9 100 171.702 67.985 24.072 1.00772.46 N ATOM 62693 C2 G 9 100 171.926 66.636 24.187 1.00772.46 C ATOM 62694 N2 G 9 100 171.013 65.943 24.888 1.00772.46 N ATOM 62695 N3 G 9 100 172.966 66.012 23.656 1.00772.46 N ATOM 62696 C4 G 9 100 173.777 66.861 22.987 1.00772.46 C ATOM 62697 P A 9 101 174.550 63.425 17.850 1.00772.46 P ATOM 62698 O1P A 9 101 174.525 62.072 17.240 1.00772.46 O ATOM 62699 O2P A 9 101 174.875 64.604 17.007 1.00772.46 O ATOM 62700 O5* A 9 101 173.143 63.676 18.555 1.00772.46 O ATOM 62701 C5* A 9 101 172.000 64.062 17.797 1.00772.46 C ATOM 62702 C4* A 9 101 170.967 64.698 18.698 1.00772.46 C ATOM 62703 O4* A 9 101 171.575 65.802 19.415 1.00772.46 O ATOM 62704 C3* A 9 101 169.776 65.316 17.986 1.00772.46 C ATOM 62705 O3* A 9 101 168.770 64.340 17.732 1.00772.46 O ATOM 62706 C2* A 9 101 169.299 66.355 18.995 1.00772.46 C ATOM 62707 O2* A 9 101 168.493 65.808 20.020 1.00772.46 O ATOM 62708 C1* A 9 101 170.626 66.843 19.585 1.00772.46 C ATOM 62709 N9 A 9 101 171.146 68.054 18.947 1.00772.46 N ATOM 62710 C8 A 9 101 171.842 68.159 17.767 1.00772.46 C ATOM 62711 N7 A 9 101 172.174 69.388 17.457 1.00772.46 N ATOM 62712 C5 A 9 101 171.666 70.146 18.502 1.00772.46 C ATOM 62713 C6 A 9 101 171.686 71.527 18.770 1.00772.46 C ATOM 62714 N6 A 9 101 172.262 72.426 17.969 1.00772.46 N ATOM 62715 N1 A 9 101 171.086 71.957 19.900 1.00772.46 N ATOM 62716 C2 A 9 101 170.508 71.055 20.702 1.00772.46 C ATOM 62717 N3 A 9 101 170.423 69.733 20.561 1.00772.46 N ATOM 62718 C4 A 9 101 171.029 69.338 19.428 1.00772.46 C ATOM 62719 P A 9 102 168.181 64.166 16.245 1.00772.46 P ATOM 62720 O1P A 9 102 168.953 63.082 15.586 1.00772.46 O ATOM 62721 O2P A 9 102 168.102 65.503 15.603 1.00772.46 O ATOM 62722 O5* A 9 102 166.693 63.644 16.480 1.00772.46 O ATOM 62723 C5* A 9 102 166.436 62.485 17.272 1.00772.46 C ATOM 62724 C4* A 9 102 165.294 62.750 18.225 1.00772.46 C ATOM 62725 O4* A 9 102 165.682 63.805 19.148 1.00772.46 O ATOM 62726 C3* A 9 102 164.006 63.250 17.590 1.00772.46 C ATOM 62727 O3* A 9 102 163.198 62.170 17.131 1.00772.46 O ATOM 62728 C2* A 9 102 163.357 64.016 18.735 1.00772.46 C ATOM 62729 O2* A 9 102 162.702 63.177 19.667 1.00772.46 O ATOM 62730 C1* A 9 102 164.579 64.664 19.390 1.00772.46 C ATOM 62731 N9 A 9 102 164.895 65.978 18.828 1.00772.46 N ATOM 62732 C8 A 9 102 165.697 66.256 17.746 1.00772.46 C ATOM 62733 N7 A 9 102 165.791 67.532 17.469 1.00772.46 N ATOM 62734 C5 A 9 102 164.999 68.141 18.433 1.00772.46 C ATOM 62735 C6 A 9 102 164.685 69.485 18.681 1.00772.46 C ATOM 62736 N6 A 9 102 165.154 70.497 17.945 1.00772.46 N ATOM 62737 N1 A 9 102 163.866 69.760 19.722 1.00772.46 N ATOM 62738 C2 A 9 102 163.400 68.740 20.454 1.00772.46 C ATOM 62739 N3 A 9 102 163.625 67.433 20.319 1.00772.46 N ATOM 62740 C4 A 9 102 164.440 67.197 19.278 1.00772.46 C ATOM 62741 P A 9 103 162.060 62.435 16.026 1.00772.46 P ATOM 62742 O1P A 9 103 161.665 61.111 15.478 1.00772.46 O ATOM 62743 O2P A 9 103 162.531 63.497 15.102 1.00772.46 O ATOM 62744 O5* A 9 103 160.836 63.014 16.868 1.00772.46 O ATOM 62745 C5* A 9 103 160.053 62.162 17.702 1.00772.46 C ATOM 62746 C4* A 9 103 158.936 62.941 18.356 1.00772.46 C ATOM 62747 O4* A 9 103 159.495 63.918 19.274 1.00772.46 O ATOM 62748 C3* A 9 103 158.056 63.761 17.427 1.00772.46 C ATOM 62749 O3* A 9 103 157.037 62.953 16.847 1.00772.46 O ATOM 62750 C2* A 9 103 157.479 64.812 18.370 1.00772.46 C ATOM 62751 O2* A 9 103 156.372 64.340 19.114 1.00772.46 O ATOM 62752 C1* A 9 103 158.660 65.065 19.311 1.00772.46 C ATOM 62753 N9 A 9 103 159.462 66.236 18.950 1.00772.46 N ATOM 62754 C8 A 9 103 160.509 66.311 18.062 1.00772.46 C ATOM 62755 N7 A 9 103 161.028 67.510 17.959 1.00772.46 N ATOM 62756 C5 A 9 103 160.273 68.278 18.834 1.00772.46 C ATOM 62757 C6 A 9 103 160.322 69.640 19.183 1.00772.46 C ATOM 62758 N6 A 9 103 161.201 70.506 18.670 1.00772.46 N ATOM 62759 N1 A 9 103 159.427 70.090 20.087 1.00772.46 N ATOM 62760 C2 A 9 103 158.546 69.223 20.602 1.00772.46 C ATOM 62761 N3 A 9 103 158.400 67.923 20.355 1.00772.46 N ATOM 62762 C4 A 9 103 159.304 67.509 19.452 1.00772.46 C ATOM 62763 P A 9 104 156.528 63.258 15.354 1.00772.46 P ATOM 62764 O1P A 9 104 155.494 62.244 15.023 1.00772.46 O ATOM 62765 O2P A 9 104 157.713 63.407 14.472 1.00772.46 O ATOM 62766 O5* A 9 104 155.816 64.680 15.471 1.00772.46 O ATOM 62767 C5* A 9 104 154.591 64.829 16.191 1.00772.46 C ATOM 62768 C4* A 9 104 154.263 66.294 16.366 1.00772.46 C ATOM 62769 O4* A 9 104 155.291 66.920 17.178 1.00772.46 O ATOM 62770 C3* A 9 104 154.230 67.122 15.090 1.00772.46 C ATOM 62771 O3* A 9 104 152.961 67.027 14.449 1.00772.46 O ATOM 62772 C2* A 9 104 154.507 68.528 15.611 1.00772.46 C ATOM 62773 O2* A 9 104 153.366 69.155 16.159 1.00772.46 O ATOM 62774 C1* A 9 104 155.525 68.243 16.717 1.00772.46 C ATOM 62775 N9 A 9 104 156.916 68.333 16.265 1.00772.46 N ATOM 62776 C8 A 9 104 157.685 67.348 15.695 1.00772.46 C ATOM 62777 N7 A 9 104 158.900 67.734 15.395 1.00772.46 N ATOM 62778 C5 A 9 104 158.936 69.063 15.791 1.00772.46 C ATOM 62779 C6 A 9 104 159.947 70.037 15.741 1.00772.46 C ATOM 62780 N6 A 9 104 161.168 69.814 15.250 1.00772.46 N ATOM 62781 N1 A 9 104 159.659 71.268 16.220 1.00772.46 N ATOM 62782 C2 A 9 104 158.435 71.492 16.713 1.00772.46 C ATOM 62783 N3 A 9 104 157.402 70.659 16.815 1.00772.46 N ATOM 62784 C4 A 9 104 157.720 69.446 16.330 1.00772.46 C ATOM 62785 P G 9 105 152.847 67.285 12.866 1.00772.46 P ATOM 62786 O1P G 9 105 151.476 66.883 12.453 1.00772.46 O ATOM 62787 O2P G 9 105 154.023 66.669 12.197 1.00772.46 O ATOM 62788 O5* G 9 105 152.968 68.869 12.724 1.00772.46 O ATOM 62789 C5* G 9 105 151.890 69.724 13.105 1.00772.46 C ATOM 62790 C4* G 9 105 152.269 71.172 12.900 1.00772.46 C ATOM 62791 O4* G 9 105 153.354 71.524 13.799 1.00772.46 O ATOM 62792 C3* G 9 105 152.795 71.536 11.520 1.00772.46 C ATOM 62793 O3* G 9 105 151.725 71.781 10.612 1.00772.46 O ATOM 62794 C2* G 9 105 153.603 72.798 11.805 1.00772.46 C ATOM 62795 O2* G 9 105 152.805 73.960 11.893 1.00772.46 O ATOM 62796 C1* G 9 105 154.202 72.476 13.175 1.00772.46 C ATOM 62797 N9 G 9 105 155.551 71.921 13.107 1.00772.46 N ATOM 62798 C8 G 9 105 155.903 70.598 12.963 1.00772.46 C ATOM 62799 N7 G 9 105 157.193 70.411 12.928 1.00772.46 N ATOM 62800 C5 G 9 105 157.730 71.686 13.057 1.00772.46 C ATOM 62801 C6 G 9 105 159.083 72.116 13.086 1.00772.46 C ATOM 62802 O6 G 9 105 160.111 71.434 12.999 1.00772.46 O ATOM 62803 N1 G 9 105 159.176 73.496 13.232 1.00772.46 N ATOM 62804 C2 G 9 105 158.111 74.354 13.338 1.00772.46 C ATOM 62805 N2 G 9 105 158.410 75.654 13.474 1.00772.46 N ATOM 62806 N3 G 9 105 156.846 73.967 13.311 1.00772.46 N ATOM 62807 C4 G 9 105 156.729 72.629 13.171 1.00772.46 C ATOM 62808 P U 9 106 151.876 71.357 9.068 1.00772.46 P ATOM 62809 O1P U 9 106 150.549 71.557 8.427 1.00772.46 O ATOM 62810 O2P U 9 106 152.523 70.023 9.005 1.00772.46 O ATOM 62811 O5* U 9 106 152.892 72.431 8.470 1.00772.46 O ATOM 62812 C5* U 9 106 152.451 73.737 8.102 1.00772.46 C ATOM 62813 C4* U 9 106 153.588 74.526 7.492 1.00772.46 C ATOM 62814 O4* U 9 106 154.610 74.754 8.495 1.00772.46 O ATOM 62815 C3* U 9 106 154.324 73.849 6.346 1.00772.46 C ATOM 62816 O3* U 9 106 153.648 74.069 5.110 1.00772.46 O ATOM 62817 C2* U 9 106 155.683 74.535 6.385 1.00772.46 C ATOM 62818 O2* U 9 106 155.688 75.802 5.756 1.00772.46 O ATOM 62819 C1* U 9 106 155.893 74.710 7.893 1.00772.46 C ATOM 62820 N1 U 9 106 156.671 73.625 8.517 1.00772.46 N ATOM 62821 C2 U 9 106 158.057 73.717 8.488 1.00772.46 C ATOM 62822 O2 U 9 106 158.655 74.647 7.967 1.00772.46 O ATOM 62823 N3 U 9 106 158.717 72.674 9.094 1.00772.46 N ATOM 62824 C4 U 9 106 158.152 71.579 9.715 1.00772.46 C ATOM 62825 O4 U 9 106 158.882 70.727 10.228 1.00772.46 O ATOM 62826 C5 U 9 106 156.723 71.556 9.701 1.00772.46 C ATOM 62827 C6 U 9 106 156.048 72.550 9.119 1.00772.46 C ATOM 62828 P C 9 107 153.858 73.042 3.889 1.00772.46 P ATOM 62829 O1P C 9 107 152.844 73.377 2.856 1.00772.46 O ATOM 62830 O2P C 9 107 153.919 71.661 4.433 1.00772.46 O ATOM 62831 O5* C 9 107 155.295 73.414 3.312 1.00772.46 O ATOM 62832 C5* C 9 107 155.583 74.736 2.862 1.00772.46 C ATOM 62833 C4* C 9 107 156.941 74.788 2.201 1.00772.46 C ATOM 62834 O4* C 9 107 157.957 74.394 3.162 1.00772.46 O ATOM 62835 C3* C 9 107 157.150 73.837 1.033 1.00772.46 C ATOM 62836 O3* C 9 107 156.647 74.385 -0.180 1.00772.46 O ATOM 62837 C2* C 9 107 158.670 73.708 1.002 1.00772.46 C ATOM 62838 O2* C 9 107 159.310 74.801 0.372 1.00772.46 O ATOM 62839 C1* C 9 107 159.002 73.700 2.496 1.00772.46 C ATOM 62840 N1 C 9 107 159.107 72.336 3.053 1.00772.46 N ATOM 62841 C2 C 9 107 160.325 71.646 2.931 1.00772.46 C ATOM 62842 O2 C 9 107 161.284 72.201 2.371 1.00772.46 O ATOM 62843 N3 C 9 107 160.423 70.389 3.426 1.00772.46 N ATOM 62844 C4 C 9 107 159.374 69.821 4.021 1.00772.46 C ATOM 62845 N4 C 9 107 159.519 68.580 4.489 1.00772.46 N ATOM 62846 C5 C 9 107 158.127 70.500 4.163 1.00772.46 C ATOM 62847 C6 C 9 107 158.039 71.742 3.673 1.00772.46 C ATOM 62848 P G 9 108 155.580 72.476 -0.471 1.00938.02 P ATOM 62849 O1P G 9 108 155.390 73.253 -1.722 1.00938.02 O ATOM 62850 O2P G 9 108 154.398 71.900 0.221 1.00938.02 O ATOM 62851 O5* G 9 108 156.608 71.296 -0.768 1.00938.02 O ATOM 62852 C5* G 9 108 157.889 71.562 -1.338 1.00938.02 C ATOM 62853 C4* G 9 108 158.803 70.370 -1.161 1.00938.02 C ATOM 62854 O4* G 9 108 158.951 70.085 0.256 1.00938.02 O ATOM 62855 C3* G 9 108 158.312 69.058 -1.756 1.00938.02 C ATOM 62856 O3* G 9 108 158.639 68.973 -3.140 1.00938.02 O ATOM 62857 C2* G 9 108 159.070 68.028 -0.928 1.00938.02 C ATOM 62858 O2* G 9 108 160.404 67.843 -1.357 1.00938.02 O ATOM 62859 C1* G 9 108 159.061 68.683 0.455 1.00938.02 C ATOM 62860 N9 G 9 108 157.957 68.242 1.302 1.00938.02 N ATOM 62861 C8 G 9 108 156.806 68.934 1.602 1.00938.02 C ATOM 62862 N7 G 9 108 156.003 68.277 2.393 1.00938.02 N ATOM 62863 C5 G 9 108 156.660 67.077 2.632 1.00938.02 C ATOM 62864 C6 G 9 108 156.275 65.960 3.419 1.00938.02 C ATOM 62865 O6 G 9 108 155.245 65.802 4.086 1.00938.02 O ATOM 62866 N1 G 9 108 157.238 64.954 3.383 1.00938.02 N ATOM 62867 C2 G 9 108 158.416 65.013 2.683 1.00938.02 C ATOM 62868 N2 G 9 108 159.213 63.938 2.773 1.00938.02 N ATOM 62869 N3 G 9 108 158.787 66.048 1.945 1.00938.02 N ATOM 62870 C4 G 9 108 157.867 67.039 1.965 1.00938.02 C ATOM 62871 P G 9 109 157.812 67.977 -4.098 1.00938.02 P ATOM 62872 O1P G 9 109 158.312 68.178 -5.481 1.00938.02 O ATOM 62873 O2P G 9 109 156.363 68.141 -3.811 1.00938.02 O ATOM 62874 O5* G 9 109 158.254 66.524 -3.615 1.00938.02 O ATOM 62875 C5* G 9 109 159.613 66.100 -3.709 1.00938.02 C ATOM 62876 C4* G 9 109 159.770 64.704 -3.152 1.00938.02 C ATOM 62877 O4* G 9 109 159.421 64.704 -1.741 1.00938.02 O ATOM 62878 C3* G 9 109 158.867 63.645 -3.765 1.00938.02 C ATOM 62879 O3* G 9 109 159.448 63.122 -4.956 1.00938.02 O ATOM 62880 C2* G 9 109 158.791 62.601 -2.658 1.00938.02 C ATOM 62881 O2* G 9 109 159.912 61.738 -2.629 1.00938.02 O ATOM 62882 C1* G 9 109 158.784 63.481 -1.406 1.00938.02 C ATOM 62883 N9 G 9 109 157.445 63.779 -0.900 1.00938.02 N ATOM 62884 C8 G 9 109 156.699 64.908 -1.140 1.00938.02 C ATOM 62885 N7 G 9 109 155.538 64.893 -0.544 1.00938.02 N ATOM 62886 C5 G 9 109 155.511 63.680 0.129 1.00938.02 C ATOM 62887 C6 G 9 109 154.506 63.107 0.950 1.00938.02 C ATOM 62888 O6 G 9 109 153.400 63.572 1.257 1.00938.02 O ATOM 62889 N1 G 9 109 154.890 61.860 1.434 1.00938.02 N ATOM 62890 C2 G 9 109 156.087 61.243 1.167 1.00938.02 C ATOM 62891 N2 G 9 109 156.268 60.037 1.730 1.00938.02 N ATOM 62892 N3 G 9 109 157.033 61.765 0.404 1.00938.02 N ATOM 62893 C4 G 9 109 156.681 62.978 -0.079 1.00938.02 C ATOM 62894 P U 9 110 158.499 62.600 -6.147 1.00938.02 P ATOM 62895 O1P U 9 110 159.385 62.183 -7.264 1.00938.02 O ATOM 62896 O2P U 9 110 157.443 63.617 -6.390 1.00938.02 O ATOM 62897 O5* U 9 110 157.809 61.297 -5.545 1.00938.02 O ATOM 62898 C5* U 9 110 158.587 60.161 -5.165 1.00938.02 C ATOM 62899 C4* U 9 110 157.761 59.222 -4.319 1.00938.02 C ATOM 62900 O4* U 9 110 157.371 59.897 -3.096 1.00938.02 O ATOM 62901 C3* U 9 110 156.452 58.758 -4.938 1.00938.02 C ATOM 62902 O3* U 9 110 156.675 57.620 -5.766 1.00938.02 O ATOM 62903 C2* U 9 110 155.610 58.418 -3.713 1.00938.02 C ATOM 62904 O2* U 9 110 155.886 57.137 -3.185 1.00938.02 O ATOM 62905 C1* U 9 110 156.064 59.494 -2.720 1.00938.02 C ATOM 62906 N1 U 9 110 155.197 60.686 -2.671 1.00938.02 N ATOM 62907 C2 U 9 110 154.070 60.633 -1.865 1.00938.02 C ATOM 62908 O2 U 9 110 153.761 59.653 -1.206 1.00938.02 O ATOM 62909 N3 U 9 110 153.311 61.780 -1.859 1.00938.02 N ATOM 62910 C4 U 9 110 153.555 62.946 -2.556 1.00938.02 C ATOM 62911 O4 U 9 110 152.775 63.892 -2.445 1.00938.02 O ATOM 62912 C5 U 9 110 154.735 62.919 -3.366 1.00938.02 C ATOM 62913 C6 U 9 110 155.495 61.821 -3.397 1.00938.02 C ATOM 62914 P C 9 111 155.690 57.321 -7.003 1.00938.02 P ATOM 62915 O1P C 9 111 156.319 56.247 -7.814 1.00938.02 O ATOM 62916 O2P C 9 111 155.328 58.610 -7.649 1.00938.02 O ATOM 62917 O5* C 9 111 154.381 56.722 -6.321 1.00938.02 O ATOM 62918 C5* C 9 111 154.452 55.575 -5.474 1.00938.02 C ATOM 62919 C4* C 9 111 153.078 54.980 -5.281 1.00938.02 C ATOM 62920 O4* C 9 111 152.212 55.982 -4.685 1.00938.02 O ATOM 62921 C3* C 9 111 152.359 54.566 -6.557 1.00938.02 C ATOM 62922 O3* C 9 111 152.719 53.237 -6.930 1.00938.02 O ATOM 62923 C2* C 9 111 150.893 54.643 -6.146 1.00938.02 C ATOM 62924 O2* C 9 111 150.453 53.499 -5.440 1.00938.02 O ATOM 62925 C1* C 9 111 150.899 55.854 -5.208 1.00938.02 C ATOM 62926 N1 C 9 111 150.528 57.121 -5.869 1.00938.02 N ATOM 62927 C2 C 9 111 149.209 57.589 -5.746 1.00938.02 C ATOM 62928 O2 C 9 111 148.388 56.926 -5.089 1.00938.02 O ATOM 62929 N3 C 9 111 148.860 58.748 -6.352 1.00938.02 N ATOM 62930 C4 C 9 111 149.768 59.435 -7.050 1.00938.02 C ATOM 62931 N4 C 9 111 149.379 60.571 -7.629 1.00938.02 N ATOM 62932 C5 C 9 111 151.112 58.982 -7.192 1.00938.02 C ATOM 62933 C6 C 9 111 151.447 57.835 -6.588 1.00938.02 C ATOM 62934 P A 9 112 153.615 52.983 -8.245 1.00938.02 P ATOM 62935 O1P A 9 112 153.409 54.123 -9.175 1.00938.02 O ATOM 62936 O2P A 9 112 153.352 51.599 -8.714 1.00938.02 O ATOM 62937 O5* A 9 112 155.115 53.047 -7.711 1.00938.02 O ATOM 62938 C5* A 9 112 155.469 52.480 -6.450 1.00938.02 C ATOM 62939 C4* A 9 112 156.971 52.473 -6.277 1.00938.02 C ATOM 62940 O4* A 9 112 157.284 52.101 -4.907 1.00938.02 O ATOM 62941 C3* A 9 112 157.732 51.469 -7.131 1.00938.02 C ATOM 62942 O3* A 9 112 158.019 51.993 -8.422 1.00938.02 O ATOM 62943 C2* A 9 112 158.997 51.245 -6.311 1.00938.02 C ATOM 62944 O2* A 9 112 159.955 52.274 -6.476 1.00938.02 O ATOM 62945 C1* A 9 112 158.443 51.284 -4.886 1.00938.02 C ATOM 62946 N9 A 9 112 158.064 49.967 -4.369 1.00938.02 N ATOM 62947 C8 A 9 112 156.876 49.301 -4.553 1.00938.02 C ATOM 62948 N7 A 9 112 156.822 48.136 -3.955 1.00938.02 N ATOM 62949 C5 A 9 112 158.060 48.024 -3.340 1.00938.02 C ATOM 62950 C6 A 9 112 158.630 47.013 -2.545 1.00938.02 C ATOM 62951 N6 A 9 112 158.001 45.880 -2.223 1.00938.02 N ATOM 62952 N1 A 9 112 159.886 47.206 -2.087 1.00938.02 N ATOM 62953 C2 A 9 112 160.518 48.342 -2.414 1.00938.02 C ATOM 62954 N3 A 9 112 160.088 49.365 -3.149 1.00938.02 N ATOM 62955 C4 A 9 112 158.837 49.140 -3.588 1.00938.02 C ATOM 62956 P G 9 113 158.389 50.993 -9.628 1.00938.02 P ATOM 62957 O1P G 9 113 158.494 51.810 -10.864 1.00938.02 O ATOM 62958 O2P G 9 113 157.450 49.843 -9.591 1.00938.02 O ATOM 62959 O5* G 9 113 159.846 50.458 -9.257 1.00938.02 O ATOM 62960 C5* G 9 113 160.970 51.337 -9.261 1.00938.02 C ATOM 62961 C4* G 9 113 162.162 50.675 -8.608 1.00938.02 C ATOM 62962 O4* G 9 113 161.839 50.358 -7.227 1.00938.02 O ATOM 62963 C3* G 9 113 162.605 49.346 -9.201 1.00938.02 C ATOM 62964 O3* G 9 113 163.452 49.540 -10.329 1.00938.02 O ATOM 62965 C2* G 9 113 163.353 48.714 -8.034 1.00938.02 C ATOM 62966 O2* G 9 113 164.670 49.209 -7.878 1.00938.02 O ATOM 62967 C1* G 9 113 162.491 49.156 -6.849 1.00938.02 C ATOM 62968 N9 G 9 113 161.477 48.168 -6.484 1.00938.02 N ATOM 62969 C8 G 9 113 160.188 48.087 -6.953 1.00938.02 C ATOM 62970 N7 G 9 113 159.520 47.086 -6.450 1.00938.02 N ATOM 62971 C5 G 9 113 160.421 46.466 -5.593 1.00938.02 C ATOM 62972 C6 G 9 113 160.268 45.321 -4.769 1.00938.02 C ATOM 62973 O6 G 9 113 159.272 44.602 -4.625 1.00938.02 O ATOM 62974 N1 G 9 113 161.434 45.040 -4.065 1.00938.02 N ATOM 62975 C2 G 9 113 162.598 45.764 -4.142 1.00938.02 C ATOM 62976 N2 G 9 113 163.615 45.331 -3.382 1.00938.02 N ATOM 62977 N3 G 9 113 162.755 46.830 -4.907 1.00938.02 N ATOM 62978 C4 G 9 113 161.634 47.124 -5.602 1.00938.02 C ATOM 62979 P C 9 114 163.622 48.359 -11.412 1.00938.02 P ATOM 62980 O1P C 9 114 164.458 48.891 -12.517 1.00938.02 O ATOM 62981 O2P C 9 114 162.279 47.799 -11.714 1.00938.02 O ATOM 62982 O5* C 9 114 164.464 47.246 -10.641 1.00938.02 O ATOM 62983 C5* C 9 114 165.812 47.491 -10.244 1.00938.02 C ATOM 62984 C4* C 9 114 166.291 46.414 -9.300 1.00938.02 C ATOM 62985 O4* C 9 114 165.462 46.416 -8.104 1.00938.02 O ATOM 62986 C3* C 9 114 166.195 44.982 -9.809 1.00938.02 C ATOM 62987 O3* C 9 114 167.310 44.637 -10.629 1.00938.02 O ATOM 62988 C2* C 9 114 166.178 44.190 -8.509 1.00938.02 C ATOM 62989 O2* C 9 114 167.459 44.033 -7.932 1.00938.02 O ATOM 62990 C1* C 9 114 165.312 45.087 -7.623 1.00938.02 C ATOM 62991 N1 C 9 114 163.881 44.720 -7.666 1.00938.02 N ATOM 62992 C2 C 9 114 163.416 43.694 -6.825 1.00938.02 C ATOM 62993 O2 C 9 114 164.217 43.126 -6.061 1.00938.02 O ATOM 62994 N3 C 9 114 162.109 43.347 -6.869 1.00938.02 N ATOM 62995 C4 C 9 114 161.278 43.977 -7.702 1.00938.02 C ATOM 62996 N4 C 9 114 159.997 43.597 -7.710 1.00938.02 N ATOM 62997 C5 C 9 114 161.721 45.022 -8.563 1.00938.02 C ATOM 62998 C6 C 9 114 163.015 45.359 -8.513 1.00938.02 C ATOM 62999 P G 9 115 167.075 43.820 -11.997 1.00938.02 P ATOM 63000 O1P G 9 115 168.296 43.974 -12.831 1.00938.02 O ATOM 63001 O2P G 9 115 165.756 44.220 -12.554 1.00938.02 O ATOM 63002 O5* G 9 115 166.980 42.292 -11.546 1.00938.02 O ATOM 63003 C5* G 9 115 166.032 41.869 -10.568 1.00938.02 C ATOM 63004 C4* G 9 115 166.289 40.434 -10.176 1.00938.02 C ATOM 63005 O4* G 9 115 165.512 40.113 -8.992 1.00938.02 O ATOM 63006 C3* G 9 115 165.874 39.387 -11.197 1.00938.02 C ATOM 63007 O3* G 9 115 166.888 39.194 -12.179 1.00938.02 O ATOM 63008 C2* G 9 115 165.672 38.151 -10.328 1.00938.02 C ATOM 63009 O2* G 9 115 166.880 37.486 -10.019 1.00938.02 O ATOM 63010 C1* G 9 115 165.077 38.764 -9.059 1.00938.02 C ATOM 63011 N9 G 9 115 163.615 38.747 -9.027 1.00938.02 N ATOM 63012 C8 G 9 115 162.763 39.658 -9.604 1.00938.02 C ATOM 63013 N7 G 9 115 161.503 39.379 -9.404 1.00938.02 N ATOM 63014 C5 G 9 115 161.524 38.215 -8.650 1.00938.02 C ATOM 63015 C6 G 9 115 160.458 37.438 -8.128 1.00938.02 C ATOM 63016 O6 G 9 115 159.240 37.630 -8.234 1.00938.02 O ATOM 63017 N1 G 9 115 160.927 36.335 -7.420 1.00938.02 N ATOM 63018 C2 G 9 115 162.250 36.021 -7.234 1.00938.02 C ATOM 63019 N2 G 9 115 162.500 34.913 -6.521 1.00938.02 N ATOM 63020 N3 G 9 115 163.254 36.735 -7.715 1.00938.02 N ATOM 63021 C4 G 9 115 162.821 37.812 -8.408 1.00938.02 C ATOM 63022 P C 9 116 166.487 38.700 -13.655 1.00938.02 P ATOM 63023 O1P C 9 116 167.728 38.589 -14.462 1.00938.02 O ATOM 63024 O2P C 9 116 165.376 39.563 -14.132 1.00938.02 O ATOM 63025 O5* C 9 116 165.905 37.233 -13.423 1.00938.02 O ATOM 63026 C5* C 9 116 166.744 36.177 -12.964 1.00938.02 C ATOM 63027 C4* C 9 116 165.925 34.943 -12.665 1.00938.02 C ATOM 63028 O4* C 9 116 165.006 35.221 -11.575 1.00938.02 O ATOM 63029 C3* C 9 116 165.026 34.452 -13.789 1.00938.02 C ATOM 63030 O3* C 9 116 165.754 33.648 -14.712 1.00938.02 O ATOM 63031 C2* C 9 116 163.972 33.651 -13.035 1.00938.02 C ATOM 63032 O2* C 9 116 164.404 32.347 -12.694 1.00938.02 O ATOM 63033 C1* C 9 116 163.805 34.488 -11.763 1.00938.02 C ATOM 63034 N1 C 9 116 162.672 35.433 -11.823 1.00938.02 N ATOM 63035 C2 C 9 116 161.394 34.989 -11.437 1.00938.02 C ATOM 63036 O2 C 9 116 161.252 33.816 -11.053 1.00938.02 O ATOM 63037 N3 C 9 116 160.351 35.848 -11.491 1.00938.02 N ATOM 63038 C4 C 9 116 160.539 37.103 -11.908 1.00938.02 C ATOM 63039 N4 C 9 116 159.480 37.914 -11.945 1.00938.02 N ATOM 63040 C5 C 9 116 161.822 37.581 -12.306 1.00938.02 C ATOM 63041 C6 C 9 116 162.847 36.724 -12.248 1.00938.02 C ATOM 63042 P G 9 117 165.221 33.481 -16.221 1.00938.02 P ATOM 63043 O1P G 9 117 166.258 32.760 -17.001 1.00938.02 O ATOM 63044 O2P G 9 117 164.750 34.812 -16.686 1.00938.02 O ATOM 63045 O5* G 9 117 163.950 32.532 -16.076 1.00938.02 O ATOM 63046 C5* G 9 117 164.091 31.185 -15.629 1.00938.02 C ATOM 63047 C4* G 9 117 162.736 30.532 -15.484 1.00938.02 C ATOM 63048 O4* G 9 117 161.977 31.215 -14.452 1.00938.02 O ATOM 63049 C3* G 9 117 161.835 30.586 -16.707 1.00938.02 C ATOM 63050 O3* G 9 117 162.149 29.536 -17.620 1.00938.02 O ATOM 63051 C2* G 9 117 160.451 30.419 -16.095 1.00938.02 C ATOM 63052 O2* G 9 117 160.127 29.072 -15.805 1.00938.02 O ATOM 63053 C1* G 9 117 160.597 31.209 -14.792 1.00938.02 C ATOM 63054 N9 G 9 117 160.135 32.591 -14.893 1.00938.02 N ATOM 63055 C8 G 9 117 160.896 33.710 -15.141 1.00938.02 C ATOM 63056 N7 G 9 117 160.194 34.810 -15.177 1.00938.02 N ATOM 63057 C5 G 9 117 158.890 34.394 -14.941 1.00938.02 C ATOM 63058 C6 G 9 117 157.688 35.144 -14.861 1.00938.02 C ATOM 63059 O6 G 9 117 157.528 36.365 -14.990 1.00938.02 O ATOM 63060 N1 G 9 117 156.593 34.326 -14.607 1.00938.02 N ATOM 63061 C2 G 9 117 156.644 32.964 -14.445 1.00938.02 C ATOM 63062 N2 G 9 117 155.476 32.351 -14.203 1.00938.02 N ATOM 63063 N3 G 9 117 157.759 32.252 -14.514 1.00938.02 N ATOM 63064 C4 G 9 117 158.836 33.028 -14.764 1.00938.02 C ATOM 63065 P G 9 118 161.748 29.681 -19.171 1.00938.02 P ATOM 63066 O1P G 9 118 162.346 28.539 -19.910 1.00938.02 O ATOM 63067 O2P G 9 118 162.064 31.071 -19.593 1.00938.02 O ATOM 63068 O5* G 9 118 160.164 29.510 -19.177 1.00938.02 O ATOM 63069 C5* G 9 118 159.559 28.285 -18.771 1.00938.02 C ATOM 63070 C4* G 9 118 158.061 28.447 -18.659 1.00938.02 C ATOM 63071 O4* G 9 118 157.756 29.430 -17.633 1.00938.02 O ATOM 63072 C3* G 9 118 157.352 28.968 -19.898 1.00938.02 C ATOM 63073 O3* G 9 118 157.079 27.912 -20.813 1.00938.02 O ATOM 63074 C2* G 9 118 156.075 29.558 -19.311 1.00938.02 C ATOM 63075 O2* G 9 118 155.084 28.586 -19.044 1.00938.02 O ATOM 63076 C1* G 9 118 156.589 30.148 -17.996 1.00938.02 C ATOM 63077 N9 G 9 118 156.921 31.568 -18.084 1.00938.02 N ATOM 63078 C8 G 9 118 158.166 32.126 -18.254 1.00938.02 C ATOM 63079 N7 G 9 118 158.143 33.431 -18.298 1.00938.02 N ATOM 63080 C5 G 9 118 156.802 33.757 -18.148 1.00938.02 C ATOM 63081 C6 G 9 118 156.162 35.023 -18.114 1.00938.02 C ATOM 63082 O6 G 9 118 156.666 36.148 -18.213 1.00938.02 O ATOM 63083 N1 G 9 118 154.787 34.895 -17.944 1.00938.02 N ATOM 63084 C2 G 9 118 154.112 33.705 -17.821 1.00938.02 C ATOM 63085 N2 G 9 118 152.784 33.791 -17.664 1.00938.02 N ATOM 63086 N3 G 9 118 154.696 32.519 -17.849 1.00938.02 N ATOM 63087 C4 G 9 118 156.033 32.620 -18.014 1.00938.02 C ATOM 63088 P G 9 119 156.857 28.242 -22.372 1.00938.02 P ATOM 63089 O1P G 9 119 156.746 26.955 -23.106 1.00938.02 O ATOM 63090 O2P G 9 119 157.889 29.230 -22.780 1.00938.02 O ATOM 63091 O5* G 9 119 155.438 28.967 -22.411 1.00938.02 O ATOM 63092 C5* G 9 119 154.244 28.260 -22.076 1.00938.02 C ATOM 63093 C4* G 9 119 153.063 29.202 -22.058 1.00938.02 C ATOM 63094 O4* G 9 119 153.255 30.199 -21.020 1.00938.02 O ATOM 63095 C3* G 9 119 152.845 30.016 -23.324 1.00938.02 C ATOM 63096 O3* G 9 119 152.109 29.272 -24.291 1.00938.02 O ATOM 63097 C2* G 9 119 152.053 31.212 -22.806 1.00938.02 C ATOM 63098 O2* G 9 119 150.676 30.941 -22.643 1.00938.02 O ATOM 63099 C1* G 9 119 152.702 31.437 -21.437 1.00938.02 C ATOM 63100 N9 G 9 119 153.763 32.441 -21.451 1.00938.02 N ATOM 63101 C8 G 9 119 155.121 32.219 -21.477 1.00938.02 C ATOM 63102 N7 G 9 119 155.821 33.320 -21.483 1.00938.02 N ATOM 63103 C5 G 9 119 154.872 34.334 -21.458 1.00938.02 C ATOM 63104 C6 G 9 119 155.032 35.743 -21.450 1.00938.02 C ATOM 63105 O6 G 9 119 156.079 36.402 -21.464 1.00938.02 O ATOM 63106 N1 G 9 119 153.802 36.396 -21.424 1.00938.02 N ATOM 63107 C2 G 9 119 152.578 35.775 -21.408 1.00938.02 C ATOM 63108 N2 G 9 119 151.505 36.582 -21.385 1.00938.02 N ATOM 63109 N3 G 9 119 152.415 34.464 -21.415 1.00938.02 N ATOM 63110 C4 G 9 119 153.595 33.808 -21.440 1.00938.02 C ATOM 63111 P G 9 120 152.267 29.620 -25.855 1.00938.02 P ATOM 63112 O1P G 9 120 151.372 28.718 -26.621 1.00938.02 O ATOM 63113 O2P G 9 120 153.720 29.647 -26.162 1.00938.02 O ATOM 63114 O5* G 9 120 151.699 31.104 -25.972 1.00938.02 O ATOM 63115 C5* G 9 120 152.019 31.928 -27.091 1.00938.02 C ATOM 63116 C4* G 9 120 151.364 33.281 -26.946 1.00938.02 C ATOM 63117 O4* G 9 120 151.729 33.855 -25.662 1.00938.02 O ATOM 63118 C3* G 9 120 151.792 34.325 -27.966 1.00938.02 C ATOM 63119 O3* G 9 120 151.029 34.213 -29.164 1.00938.02 O ATOM 63120 C2* G 9 120 151.516 35.630 -27.229 1.00938.02 C ATOM 63121 O2* G 9 120 150.158 36.019 -27.275 1.00938.02 O ATOM 63122 C1* G 9 120 151.902 35.256 -25.796 1.00938.02 C ATOM 63123 N9 G 9 120 153.285 35.586 -25.458 1.00938.02 N ATOM 63124 C8 G 9 120 154.349 34.718 -25.370 1.00938.02 C ATOM 63125 N7 G 9 120 155.468 35.309 -25.047 1.00938.02 N ATOM 63126 C5 G 9 120 155.125 36.647 -24.914 1.00938.02 C ATOM 63127 C6 G 9 120 155.923 37.771 -24.576 1.00938.02 C ATOM 63128 O6 G 9 120 157.132 37.807 -24.317 1.00938.02 O ATOM 63129 N1 G 9 120 155.173 38.941 -24.554 1.00938.02 N ATOM 63130 C2 G 9 120 153.828 39.025 -24.820 1.00938.02 C ATOM 63131 N2 G 9 120 153.285 40.250 -24.749 1.00938.02 N ATOM 63132 N3 G 9 120 153.072 37.986 -25.136 1.00938.02 N ATOM 63133 C4 G 9 120 153.781 36.837 -25.163 1.00938.02 C ATOM 63134 P G 9 121 151.647 34.730 -30.556 1.00938.02 P ATOM 63135 O1P G 9 121 150.692 34.389 -31.639 1.00938.02 O ATOM 63136 O2P G 9 121 153.049 34.247 -30.637 1.00938.02 O ATOM 63137 O5* G 9 121 151.681 36.317 -30.398 1.00938.02 O ATOM 63138 C5* G 9 121 150.475 37.079 -30.380 1.00938.02 C ATOM 63139 C4* G 9 121 150.778 38.542 -30.160 1.00938.02 C ATOM 63140 O4* G 9 121 151.379 38.718 -28.849 1.00938.02 O ATOM 63141 C3* G 9 121 151.782 39.165 -31.118 1.00938.02 C ATOM 63142 O3* G 9 121 151.153 39.581 -32.327 1.00938.02 O ATOM 63143 C2* G 9 121 152.302 40.350 -30.313 1.00938.02 C ATOM 63144 O2* G 9 121 151.436 41.467 -30.342 1.00938.02 O ATOM 63145 C1* G 9 121 152.340 39.761 -28.900 1.00938.02 C ATOM 63146 N9 G 9 121 153.645 39.210 -28.539 1.00938.02 N ATOM 63147 C8 G 9 121 154.009 37.884 -28.504 1.00938.02 C ATOM 63148 N7 G 9 121 155.251 37.703 -28.143 1.00938.02 N ATOM 63149 C5 G 9 121 155.738 38.984 -27.928 1.00938.02 C ATOM 63150 C6 G 9 121 157.025 39.423 -27.521 1.00938.02 C ATOM 63151 O6 G 9 121 158.025 38.742 -27.261 1.00938.02 O ATOM 63152 N1 G 9 121 157.087 40.809 -27.427 1.00938.02 N ATOM 63153 C2 G 9 121 156.046 41.666 -27.688 1.00938.02 C ATOM 63154 N2 G 9 121 156.305 42.975 -27.541 1.00938.02 N ATOM 63155 N3 G 9 121 154.842 41.271 -28.070 1.00938.02 N ATOM 63156 C4 G 9 121 154.760 39.928 -28.167 1.00938.02 C TER 63157 G 9 121 ./arbsrc_9167/lib/rna3d/Ecoli_1VOR_23S_rRNA.pdb0000644012664100000130002371037011213220015020556 0ustar arb_buildcodersHEADER RIBOSOME 06-OCT-04 1VOR TITLE CRYSTAL STRUCTURE OF FIVE 70S RIBOSOMES FROM ESCHERICHIA TITLE 2 COLI IN COMPLEX WITH PROTEIN Y. THIS FILE CONTAINS THE 50S TITLE 3 SUBUNIT OF ONE 70S RIBOSOME. THE ENTIRE CRYSTAL STRUCTURE TITLE 4 CONTAINS FIVE 70S RIBOSOMES AND IS DESCRIBED IN REMARK 400. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 23S RIBOSOMAL RNA; COMPND 3 CHAIN: B; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: 5S RIBOSOMAL RNA; COMPND 6 CHAIN: A; COMPND 7 MOL_ID: 3; COMPND 8 MOLECULE: 50S RIBOSOMAL PROTEIN L2; COMPND 9 CHAIN: D; COMPND 10 MOL_ID: 4; COMPND 11 MOLECULE: 50S RIBOSOMAL PROTEIN L3; COMPND 12 CHAIN: E; COMPND 13 MOL_ID: 5; COMPND 14 MOLECULE: 50S RIBOSOMAL PROTEIN L4; COMPND 15 CHAIN: F; COMPND 16 MOL_ID: 6; COMPND 17 MOLECULE: 50S RIBOSOMAL PROTEIN L5; COMPND 18 CHAIN: G; COMPND 19 MOL_ID: 7; COMPND 20 MOLECULE: 50S RIBOSOMAL PROTEIN L6; COMPND 21 CHAIN: H; COMPND 22 MOL_ID: 8; COMPND 23 MOLECULE: 50S RIBOSOMAL PROTEIN L9; COMPND 24 CHAIN: I; COMPND 25 MOL_ID: 9; COMPND 26 MOLECULE: 50S RIBOSOMAL PROTEIN L11; COMPND 27 CHAIN: J; COMPND 28 MOL_ID: 10; COMPND 29 MOLECULE: 50S RIBOSOMAL PROTEIN L13; COMPND 30 CHAIN: K; COMPND 31 MOL_ID: 11; COMPND 32 MOLECULE: 50S RIBOSOMAL PROTEIN L14; COMPND 33 CHAIN: L; COMPND 34 MOL_ID: 12; COMPND 35 MOLECULE: 50S RIBOSOMAL PROTEIN L15; COMPND 36 CHAIN: M; COMPND 37 MOL_ID: 13; COMPND 38 MOLECULE: 50S RIBOSOMAL PROTEIN L16; COMPND 39 CHAIN: N; COMPND 40 MOL_ID: 14; COMPND 41 MOLECULE: 50S RIBOSOMAL PROTEIN L17; COMPND 42 CHAIN: O; COMPND 43 MOL_ID: 15; COMPND 44 MOLECULE: 50S RIBOSOMAL PROTEIN L18; COMPND 45 CHAIN: P; COMPND 46 MOL_ID: 16; COMPND 47 MOLECULE: 50S RIBOSOMAL PROTEIN L19; COMPND 48 CHAIN: Q; COMPND 49 MOL_ID: 17; COMPND 50 MOLECULE: 50S RIBOSOMAL PROTEIN L20; COMPND 51 CHAIN: R; COMPND 52 MOL_ID: 18; COMPND 53 MOLECULE: 50S RIBOSOMAL PROTEIN L21; COMPND 54 CHAIN: S; COMPND 55 MOL_ID: 19; COMPND 56 MOLECULE: 50S RIBOSOMAL PROTEIN L22; COMPND 57 CHAIN: T; COMPND 58 MOL_ID: 20; COMPND 59 MOLECULE: 50S RIBOSOMAL PROTEIN L23; COMPND 60 CHAIN: U; COMPND 61 MOL_ID: 21; COMPND 62 MOLECULE: 50S RIBOSOMAL PROTEIN L24; COMPND 63 CHAIN: V; COMPND 64 MOL_ID: 22; COMPND 65 MOLECULE: GENERAL STRESS PROTEIN CTC; COMPND 66 CHAIN: W; COMPND 67 MOL_ID: 23; COMPND 68 MOLECULE: 50S RIBOSOMAL PROTEIN L27; COMPND 69 CHAIN: X; COMPND 70 MOL_ID: 24; COMPND 71 MOLECULE: 50S RIBOSOMAL PROTEIN L29; COMPND 72 CHAIN: Y; COMPND 73 MOL_ID: 25; COMPND 74 MOLECULE: 50S RIBOSOMAL PROTEIN L30; COMPND 75 CHAIN: Z; COMPND 76 MOL_ID: 26; COMPND 77 MOLECULE: 50S RIBOSOMAL PROTEIN L31; COMPND 78 CHAIN: 1; COMPND 79 MOL_ID: 27; COMPND 80 MOLECULE: 50S RIBOSOMAL PROTEIN L32; COMPND 81 CHAIN: 2; COMPND 82 MOL_ID: 28; COMPND 83 MOLECULE: 50S RIBOSOMAL PROTEIN L33; COMPND 84 CHAIN: 3; COMPND 85 MOL_ID: 29; COMPND 86 MOLECULE: 50S RIBOSOMAL PROTEIN L34; COMPND 87 CHAIN: 4; COMPND 88 MOL_ID: 30; COMPND 89 MOLECULE: 50S RIBOSOMAL PROTEIN L35; COMPND 90 CHAIN: 5; COMPND 91 MOL_ID: 31; COMPND 92 MOLECULE: 50S RIBOSOMAL PROTEIN L36; COMPND 93 CHAIN: 6; COMPND 94 MOL_ID: 32; COMPND 95 MOLECULE: 50S RIBOSOMAL PROTEIN L1P; COMPND 96 CHAIN: 7 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: BACTERIA; SOURCE 4 MOL_ID: 2; SOURCE 5 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 6 ORGANISM_COMMON: BACTERIA; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 9 ORGANISM_COMMON: BACTERIA; SOURCE 10 MOL_ID: 4; SOURCE 11 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 12 ORGANISM_COMMON: BACTERIA; SOURCE 13 MOL_ID: 5; SOURCE 14 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 15 ORGANISM_COMMON: BACTERIA; SOURCE 16 MOL_ID: 6; SOURCE 17 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 18 ORGANISM_COMMON: BACTERIA; SOURCE 19 MOL_ID: 7; SOURCE 20 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 21 ORGANISM_COMMON: BACTERIA; SOURCE 22 MOL_ID: 8; SOURCE 23 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 24 ORGANISM_COMMON: BACTERIA; SOURCE 25 MOL_ID: 9; SOURCE 26 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 27 ORGANISM_COMMON: BACTERIA; SOURCE 28 MOL_ID: 10; SOURCE 29 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 30 ORGANISM_COMMON: BACTERIA; SOURCE 31 MOL_ID: 11; SOURCE 32 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 33 ORGANISM_COMMON: BACTERIA; SOURCE 34 MOL_ID: 12; SOURCE 35 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 36 ORGANISM_COMMON: BACTERIA; SOURCE 37 MOL_ID: 13; SOURCE 38 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 39 ORGANISM_COMMON: BACTERIA; SOURCE 40 MOL_ID: 14; SOURCE 41 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 42 ORGANISM_COMMON: BACTERIA; SOURCE 43 MOL_ID: 15; SOURCE 44 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 45 ORGANISM_COMMON: BACTERIA; SOURCE 46 MOL_ID: 16; SOURCE 47 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 48 ORGANISM_COMMON: BACTERIA; SOURCE 49 MOL_ID: 17; SOURCE 50 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 51 ORGANISM_COMMON: BACTERIA; SOURCE 52 MOL_ID: 18; SOURCE 53 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 54 ORGANISM_COMMON: BACTERIA; SOURCE 55 MOL_ID: 19; SOURCE 56 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 57 ORGANISM_COMMON: BACTERIA; SOURCE 58 MOL_ID: 20; SOURCE 59 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 60 ORGANISM_COMMON: BACTERIA; SOURCE 61 MOL_ID: 21; SOURCE 62 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 63 ORGANISM_COMMON: BACTERIA; SOURCE 64 MOL_ID: 22; SOURCE 65 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 66 ORGANISM_COMMON: BACTERIA; SOURCE 67 MOL_ID: 23; SOURCE 68 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 69 ORGANISM_COMMON: BACTERIA; SOURCE 70 MOL_ID: 24; SOURCE 71 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 72 ORGANISM_COMMON: BACTERIA; SOURCE 73 MOL_ID: 25; SOURCE 74 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 75 ORGANISM_COMMON: BACTERIA; SOURCE 76 MOL_ID: 26; SOURCE 77 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 78 ORGANISM_COMMON: BACTERIA; SOURCE 79 MOL_ID: 27; SOURCE 80 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 81 ORGANISM_COMMON: BACTERIA; SOURCE 82 MOL_ID: 28; SOURCE 83 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 84 ORGANISM_COMMON: BACTERIA; SOURCE 85 MOL_ID: 29; SOURCE 86 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 87 ORGANISM_COMMON: BACTERIA; SOURCE 88 MOL_ID: 30; SOURCE 89 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 90 ORGANISM_COMMON: BACTERIA; SOURCE 91 MOL_ID: 31; SOURCE 92 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 93 ORGANISM_COMMON: BACTERIA; SOURCE 94 MOL_ID: 32; SOURCE 95 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 96 ORGANISM_COMMON: BACTERIA KEYWDS 30S RIBOSOMAL SUBUNIT, PROTEIN-RNA COMPLEX, PROTEIN-PROTEIN KEYWDS 2 COMPLEX, RNA-RNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.VILA-SANJURJO,B.S.SCHUWIRTH,C.W.HAU,J.H.CATE REVDAT 2 23-NOV-04 1VOR 1 SOURCE REVDAT 1 16-NOV-04 1VOR 0 JRNL AUTH A.VILA-SANJURJO,B.S.SCHUWIRTH,C.W.HAU,J.H.CATE JRNL TITL STRUCTURAL BASIS FOR THE CONTROL OF TRANSLATION JRNL TITL 2 INITIATION DURING STRESS. JRNL REF NAT.STRUCT.MOL.BIOL. V. 11 1054 2004 JRNL REFN US ISSN 1545-9993 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 11.50ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 11.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 500.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.9 REMARK 3 NUMBER OF REFLECTIONS : 62383 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.395 REMARK 3 FREE R VALUE : 0.401 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 6283 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 27859 REMARK 3 NUCLEIC ACID ATOMS : 63154 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 235 RIGID BODIES REFINEMENT, GROUPED REMARK 3 THIS ENTRY. COORDINATES USED FOR SOLVING AND REFINING THIS REMARK 3 STRUCTURE COMES MAINLY FROM PDB ENTRY, 1LNR, WHERE THE REMARK 3 SEQUENCE REPRESENTS THAT OF DEINOCOCCUS RADIODURANS. REMARK 4 REMARK 4 1VOR COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY THE NUCLEIC ACID DATABASE REMARK 100 ON 18-OCT-2004. REMARK 100 THE NDB ID CODE IS RR0086. REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-MAR-2004; 01-MAR-2004 REMARK 200 TEMPERATURE (KELVIN) : 110.0 REMARK 200 PH : 6.50 REMARK 200 NUMBER OF CRYSTALS USED : 3 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y; Y REMARK 200 RADIATION SOURCE : ALS ; ALS ; ALS REMARK 200 BEAMLINE : 8.3.1; 8.2.1; 8.2.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0; 1.2; 1.3 REMARK 200 MONOCHROMATOR : SI 111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315; ADSC REMARK 200 QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 62383 REMARK 200 RESOLUTION RANGE HIGH (A) : 11.500 REMARK 200 RESOLUTION RANGE LOW (A) : 500.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.9 REMARK 200 DATA REDUNDANCY : 6.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.18100 REMARK 200 FOR THE DATA SET : 7.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 11.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 11.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 77.9 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.46200 REMARK 200 FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRIES 1PNS, 1PNU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.50 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 9555 1/2+X,1/2+Y,1/2+Z REMARK 290 10555 1/2-X,1/2-Y,1/2+Z REMARK 290 11555 1/2-Y,1/2+X,1/2+Z REMARK 290 12555 1/2+Y,1/2-X,1/2+Z REMARK 290 13555 1/2-X,1/2+Y,1/2-Z REMARK 290 14555 1/2+X,1/2-Y,1/2-Z REMARK 290 15555 1/2+Y,1/2+X,1/2-Z REMARK 290 16555 1/2-Y,1/2-X,1/2-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 966.65000 REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 966.65000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 966.65000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 966.65000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 32CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, A, D, E, F, G, H, I, J, REMARK 350 K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, 1, 2, 3, REMARK 350 4, 5, 6, 7 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 REMARK 400 THIS FILE, 1VOR, CONTAINS THE 50S SUBUNIT OF ONE 70S REMARK 400 RIBOSOME. THE ENTIRE CRYSTAL STRUCTURE CONTAINS FIVE 70S REMARK 400 RIBOSOMES AND ARE DEPOSITED UNDER: REMARK 400 70S RIBOSOME ONE: 1VOQ (30S SUBUNIT), 1VOR (50S SUBUNIT) REMARK 400 70S RIBOSOME TWO: 1VOS (30S SUBUNIT), 1VOU (50S SUBUNIT) REMARK 400 70S RIBOSOME THREE: 1VOV (30S SUBUNIT), 1VOW (50S SUBUNIT) REMARK 400 70S RIBOSOME FOUR: 1VOX (30S SUBUNIT), 1VOY (50S SUBUNIT) REMARK 400 70S RIBOSOME FIVE: 1VOZ (30S SUBUNIT), 1VP0 (50S SUBUNIT) REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 G A 122 REMARK 465 PRO F 1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI REMARK 500 N2 G B 2602 NE2 HIS 2 22 0.29 REMARK 500 N2 G B 699 C THR 4 4 0.36 REMARK 500 O1P U B 2398 OG1 THR 5 34 0.39 REMARK 500 O2P C B 2239 NH1 ARG X 14 0.40 REMARK 500 C1* U B 1141 CA TYR K 106 0.41 REMARK 500 C4* G B 338 CD2 HIS V 9 0.43 REMARK 500 O3* C B 2254 CG LYS N 86 0.43 REMARK 500 O5* G B 156 NH2 ARG 4 28 0.47 REMARK 500 N1 U B 2859 CB ASP 2 53 0.48 REMARK 500 O3* A B 511 CD GLN T 16 0.50 REMARK 500 O1P G B 1142 C GLN K 107 0.51 REMARK 500 O2P A B 490 CA PRO V 4 0.54 REMARK 500 O3* C B 915 OD1 ASP W 163 0.54 REMARK 500 NH2 ARG N 68 CG1 VAL W 117 0.54 REMARK 500 OG1 THR W 49 NE2 GLN W 132 0.54 REMARK 500 O4* A B 1143 CD LYS K 111 0.55 REMARK 500 C4* C B 915 OD2 ASP W 163 0.57 REMARK 500 N2 G B 1803 O ARG D 46 0.57 REMARK 500 C4* U B 2236 OG SER X 10 0.58 REMARK 500 O2* C B 2254 NZ LYS N 86 0.58 REMARK 500 C2* C B 915 CB ASP W 163 0.60 REMARK 500 C6 G B 1142 C THR K 104 0.60 REMARK 500 C3* A B 8 CG ASN K 36 0.61 REMARK 500 O6 G B 1142 O THR K 104 0.61 REMARK 500 O6 G B 2578 CG GLU D 237 0.61 REMARK 500 O1P G B 156 NH1 ARG 4 28 0.62 REMARK 500 O2* C B 2646 CE1 HIS H 111 0.62 REMARK 500 O1P A B 2577 N GLY D 236 0.63 REMARK 500 O6 G B 1142 C THR K 104 0.64 REMARK 500 O2P U A 106 C GLU W 90 0.64 REMARK 500 O5* U A 106 CD PRO W 91 0.64 REMARK 500 C3* A B 511 OE1 GLN T 16 0.65 REMARK 500 N3 A B 1796 OG SER D 51 0.65 REMARK 500 N3 G A 77 CZ TYR W 24 0.65 REMARK 500 C5* A B 512 N GLN T 16 0.67 REMARK 500 O5* A B 2577 O GLY D 235 0.67 REMARK 500 C2 U B 2859 CA ASP 2 53 0.67 REMARK 500 N2 G A 77 CD2 TYR W 24 0.67 REMARK 500 NH1 ARG E 19 O LYS Q 64 0.67 REMARK 500 N1 G B 1041 C SER 6 5 0.68 REMARK 500 O5* G B 3867 O LYS 7 42 0.68 REMARK 500 C5* G B 2495 O GLY K 108 0.68 REMARK 500 C5* U B 1044 CG1 VAL 6 16 0.69 REMARK 500 C3* U B 1141 N GLN K 107 0.69 REMARK 500 O1P A B 918 CB LEU W 120 0.70 REMARK 500 C2 G B 1041 C SER 6 5 0.71 REMARK 500 O2* C B 2462 CB ALA N 50 0.71 REMARK 500 C2* U B 2859 OD1 ASP 2 53 0.71 REMARK 500 N1 A B 2861 NZ LYS 2 40 0.71 REMARK 500 C2* U B 3122 NE2 GLN 7 162 0.72 REMARK 500 O1P U B 2057 C PRO D 228 0.73 REMARK 500 N7 G B 811 CZ ARG F 56 0.74 REMARK 500 O4 U B 2859 N TYR 2 52 0.74 REMARK 500 O3* A B 8 CB ASN K 36 0.75 REMARK 500 N3 A B 2861 CD LYS 2 40 0.75 REMARK 500 O2* A B 2448 CZ ARG N 57 0.76 REMARK 500 C5* G B 338 NE2 HIS V 9 0.77 REMARK 500 N9 G B 699 O TYR 4 5 0.78 REMARK 500 C1* G B 888 OE1 GLU W 165 0.78 REMARK 500 O2* G B 1805 O ASN D 44 0.78 REMARK 500 C5* U B 2236 CB SER X 10 0.78 REMARK 500 C3* A B 512 C LYS T 15 0.79 REMARK 500 O3* A B 891 N7 G B 893 0.79 REMARK 500 C4 A B 3866 N GLY 7 44 0.79 REMARK 500 O1P U B 187 ND2 ASN 4 29 0.80 REMARK 500 O1P G B 318 CG ASN T 10 0.80 REMARK 500 O2P C B 2399 CB GLN 5 32 0.81 REMARK 500 N3 U B 2859 N ASP 2 53 0.81 REMARK 500 P C A 97 CD LYS W 11 0.81 REMARK 500 P A B 491 CZ ARG V 3 0.82 REMARK 500 O2 U B 857 C2 U B 946 0.82 REMARK 500 O1P U B 916 CB ALA W 162 0.82 REMARK 500 N9 A B 3866 C LYS 7 43 0.82 REMARK 500 C5* G B 3867 O LYS 7 42 0.82 REMARK 500 O3* C A 96 CD LYS W 11 0.82 REMARK 500 C5* A B 512 CA GLN T 16 0.83 REMARK 500 O2P C B 2399 CA GLN 5 32 0.83 REMARK 500 O2* A B 2448 NH1 ARG N 57 0.83 REMARK 500 O2* C B 915 CB ASP W 163 0.84 REMARK 500 C1* U B 910 O1P A B 911 0.85 REMARK 500 O4* U B 917 CD1 LEU W 166 0.85 REMARK 500 C2 G A 92 O ALA N 22 0.85 REMARK 500 O3* A B 8 CG ASN K 36 0.86 REMARK 500 C1* U B 910 P A B 911 0.86 REMARK 500 O2* C B 915 CA ASP W 163 0.86 REMARK 500 C4 A B 3866 CA GLY 7 44 0.86 REMARK 500 O3* G A 105 CA PRO W 91 0.86 REMARK 500 O5* U B 824 CA GLY M 33 0.87 REMARK 500 C2 A B 1796 OG SER D 51 0.87 REMARK 500 NH2 ARG E 19 N SER Q 65 0.87 REMARK 500 O1P U B 680 O PHE M 48 0.88 REMARK 500 C3* C B 915 CG ASP W 163 0.88 REMARK 500 O1P A B 918 CA LEU W 120 0.88 REMARK 500 P G B 478 NH2 ARG 4 34 0.90 REMARK 500 N1 U B 910 O1P A B 911 0.90 REMARK 500 N2 G B 934 CD LYS X 25 0.90 REMARK 500 O2* U B 3122 OE1 GLN 7 162 0.90 REMARK 500 O3* U B 1141 CB GLN K 107 0.91 REMARK 500 C1* G A 77 OD1 ASN W 29 0.91 REMARK 500 O3* A B 490 NE ARG V 3 0.92 REMARK 500 O1P C B 700 CB LYS 4 2 0.92 REMARK 500 N2 G B 887 O GLU W 165 0.92 REMARK 500 CG GLU L 132 OE1 GLU Q 75 0.92 REMARK 500 OE2 GLU M 50 CE MET 5 58 0.92 REMARK 500 O3* U B 1141 CA GLN K 107 0.93 REMARK 500 O2 U B 1141 C GLY K 105 0.93 REMARK 500 O2 U B 1804 CB ARG D 46 0.93 REMARK 500 O2* C B 2254 CE LYS N 86 0.93 REMARK 500 O4 U B 2859 CA TYR 2 52 0.93 REMARK 500 C4* A B 512 N GLN T 16 0.94 REMARK 500 N9 A B 3866 O LYS 7 43 0.94 REMARK 500 N7 G B 2578 OE1 GLU D 237 0.94 REMARK 500 O1P G B 318 ND2 ASN T 10 0.95 REMARK 500 C4 U B 2859 C TYR 2 52 0.95 REMARK 500 C4 U B 2859 N ASP 2 53 0.95 REMARK 500 O1P A B 1746 CG2 VAL Q 124 0.96 REMARK 500 O2 C A 44 O THR G 90 0.96 REMARK 500 O5* A B 512 CA GLN T 16 0.97 REMARK 500 N3 G B 2760 NZ LYS K 149 0.97 REMARK 500 O1P A B 490 O ARG V 3 0.98 REMARK 500 O6 G B 761 NE ARG T 111 0.98 REMARK 500 O4* U B 916 O ASP W 163 0.98 REMARK 500 O3* C B 1829 O2* A B 1910 0.98 REMARK 500 C2* A B 2448 NH1 ARG N 57 0.98 REMARK 500 O4* C B 2748 CD LYS K 121 0.98 REMARK 500 C3* G A 105 CA PRO W 91 0.98 REMARK 500 P U A 106 CD PRO W 91 0.98 REMARK 500 O1P G B 156 CZ ARG 4 28 0.99 REMARK 500 O5* G B 506 O ASN T 82 0.99 REMARK 500 N2 G B 1041 O SER 6 5 0.99 REMARK 500 O2* U B 3122 CD GLN 7 162 0.99 REMARK 500 O2* G B 2862 O LEU 2 30 0.99 REMARK 500 O2P U A 106 N PRO W 91 0.99 REMARK 500 C4* A B 512 C LYS T 15 1.00 REMARK 500 O4* G B 1042 N VAL 6 7 1.00 REMARK 500 P G B 1142 CA GLN K 107 1.00 REMARK 500 O1P A B 1379 CD LYS 1 3 1.00 REMARK 500 N3 G A 77 CE1 TYR W 24 1.00 REMARK 500 C4 G A 77 CE1 TYR W 24 1.00 REMARK 500 O1P A B 2577 CA GLY D 236 1.01 REMARK 500 P U A 106 N PRO W 91 1.01 REMARK 500 C4* G B 338 NE2 HIS V 9 1.02 REMARK 500 C2 G B 887 O GLU W 165 1.02 REMARK 500 C2* U B 910 P A B 911 1.02 REMARK 500 C2 G B 699 C THR 4 4 1.03 REMARK 500 C8 G B 811 NH2 ARG F 56 1.03 REMARK 500 P G B 1142 C GLN K 107 1.03 REMARK 500 C2 G B 1803 O ARG D 46 1.03 REMARK 500 C2* U B 910 O5* A B 911 1.04 REMARK 500 O2P A B 918 CD1 LEU W 120 1.04 REMARK 500 C4* C B 2790 OG SER 2 42 1.04 REMARK 500 O2* C B 1134 O GLY 6 21 1.05 REMARK 500 C1* U B 3122 NE2 GLN 7 162 1.05 REMARK 500 C2 A B 3866 N ASP 7 45 1.06 REMARK 500 C6 A B 2861 NZ LYS 2 40 1.06 REMARK 500 P A B 1746 CG2 VAL Q 124 1.07 REMARK 500 O5* G B 2619 NH2 ARG K 125 1.07 REMARK 500 O3* G B 164 CA CYS 1 12 1.08 REMARK 500 C2 G B 1041 O SER 6 5 1.08 REMARK 500 N3 A B 1750 O2 U B 2675 1.08 REMARK 500 O2 C B 1828 C5* G B 1912 1.08 REMARK 500 N2 G A 92 N LYS N 23 1.08 REMARK 500 CZ ARG N 68 CG1 VAL W 117 1.08 REMARK 500 C4* G B 1042 N LYS 6 8 1.09 REMARK 500 O3* C B 1091 OD1 ASN J 125 1.09 REMARK 500 O1P U B 2057 CA PRO D 228 1.09 REMARK 500 O1P G B 115 NH2 ARG 4 19 1.10 REMARK 500 O5* A B 491 CZ ARG V 3 1.10 REMARK 500 O1P G B 2495 CA GLY K 109 1.10 REMARK 500 C3* A B 512 O LYS T 15 1.11 REMARK 500 O1P G B 1142 N GLY K 108 1.11 REMARK 500 P U B 2398 OG1 THR 5 34 1.11 REMARK 500 C3* A B 8 OD1 ASN K 36 1.12 REMARK 500 O1P A B 512 C GLN T 16 1.12 REMARK 500 O3* U B 868 ND1 HIS X 57 1.12 REMARK 500 C6 G B 1142 N GLY K 105 1.12 REMARK 500 C3* G A 105 CB PRO W 91 1.12 REMARK 500 C3* G B 338 CD2 HIS V 9 1.13 REMARK 500 O5* A B 491 NH2 ARG V 3 1.13 REMARK 500 O1P A B 512 O GLN T 16 1.13 REMARK 500 P G B 2619 NH2 ARG K 125 1.13 REMARK 500 O1P C A 97 CG LYS W 11 1.13 REMARK 500 C4* A B 489 CA SER V 5 1.14 REMARK 500 O2P C B 574 NE2 GLN S 79 1.14 REMARK 500 O1P G B 1142 O GLN K 107 1.14 REMARK 500 C2 G B 1142 N THR K 104 1.14 REMARK 500 C1* U B 2859 CB ASP 2 53 1.14 REMARK 500 C2 G A 92 C ALA N 22 1.14 REMARK 500 O2P G B 478 NH2 ARG 4 34 1.15 REMARK 500 C5* A B 490 CB ARG V 3 1.15 REMARK 500 O6 G B 761 CZ ARG T 111 1.15 REMARK 500 N7 G B 811 NH2 ARG F 56 1.15 REMARK 500 C5* U B 2236 OG SER X 10 1.15 REMARK 500 NH1 ARG E 19 C LYS Q 64 1.15 REMARK 500 O2* G B 23 OH TYR T 96 1.16 REMARK 500 C2 G B 699 N TYR 4 5 1.16 REMARK 500 O1P G B 1815 CB ILE D 54 1.16 REMARK 500 O1P G B 2619 CZ ARG K 125 1.16 REMARK 500 O1P U B 2398 CB THR 5 34 1.17 REMARK 500 C2 G B 2602 NE2 HIS 2 22 1.17 REMARK 500 N3 A B 2861 CE LYS 2 40 1.17 REMARK 500 O2P A B 706 CE1 HIS D 58 1.18 REMARK 500 C1* U B 917 CD1 LEU W 166 1.18 REMARK 500 O4* U B 2192 NZ LYS D 39 1.18 REMARK 500 C3* A B 8 ND2 ASN K 36 1.19 REMARK 500 O2P G B 165 O CYS 1 12 1.19 REMARK 500 O2P G B 478 CZ ARG 4 34 1.19 REMARK 500 C4* A B 511 OE1 GLN T 16 1.19 REMARK 500 C4* U B 910 O2P A B 911 1.19 REMARK 500 C3* C B 915 OD1 ASP W 163 1.19 REMARK 500 O1P A B 1043 N LYS 6 9 1.19 REMARK 500 O3* U B 2236 O SER X 10 1.19 REMARK 500 N2 G B 2602 CD2 HIS 2 22 1.19 REMARK 500 C2* A B 8 OD1 ASN K 36 1.21 REMARK 500 P G B 156 NH2 ARG 4 28 1.21 REMARK 500 O5* G B 227 NH2 ARG M 59 1.21 REMARK 500 C8 A B 3866 O LYS 7 43 1.21 REMARK 500 N3 G A 92 CA ALA N 22 1.21 REMARK 500 N2 G B 699 O THR 4 4 1.22 REMARK 500 O2* U B 910 O5* A B 911 1.22 REMARK 500 C4* C B 915 CG ASP W 163 1.22 REMARK 500 C2 U B 1141 O GLY K 105 1.22 REMARK 500 C3* C A 96 CE LYS W 11 1.22 REMARK 500 C2* G A 105 CB PRO W 91 1.22 REMARK 500 N3 G B 505 ND2 ASN T 82 1.23 REMARK 500 C2 G B 699 O THR 4 4 1.23 REMARK 500 C4* A B 1746 O LYS Q 126 1.23 REMARK 500 C5 A B 3866 CA GLY 7 44 1.23 REMARK 500 N3 A B 3866 C GLY 7 44 1.23 REMARK 500 C2* C B 2254 CE LYS N 86 1.23 REMARK 500 CD PRO L 113 CB GLU Q 75 1.23 REMARK 500 O3* G B 164 CB CYS 1 12 1.24 REMARK 500 O2* G B 741 CB THR D 17 1.24 REMARK 500 C5* C B 869 CB HIS X 57 1.24 REMARK 500 P A B 918 CB LEU W 120 1.24 REMARK 500 P A B 918 CG LEU W 120 1.24 REMARK 500 C2 G B 934 CD LYS X 25 1.24 REMARK 500 C5 A B 3866 N GLY 7 44 1.24 REMARK 500 O4* G B 3123 NE2 GLN 7 166 1.24 REMARK 500 N3 U B 2859 C TYR 2 52 1.24 REMARK 500 O1P C B 700 CG LYS 4 2 1.25 REMARK 500 O3* G B 1050 NZ LYS W 37 1.25 REMARK 500 O5* G B 1136 NE ARG 6 4 1.25 REMARK 500 C1* A B 3865 NZ LYS 7 43 1.25 REMARK 500 P A B 2577 O GLY D 235 1.25 REMARK 500 C5* A B 2577 CA GLY D 235 1.25 REMARK 500 C5 G B 2578 OE1 GLU D 237 1.25 REMARK 500 N2 G A 92 C ALA N 22 1.25 REMARK 500 P G B 227 NH2 ARG M 59 1.26 REMARK 500 O2P G B 419 CG GLU 7 197 1.26 REMARK 500 C4* A B 1043 O VAL 6 23 1.26 REMARK 500 C2* G B 1142 NZ LYS K 111 1.26 REMARK 500 C5* A B 1746 O LYS Q 126 1.26 REMARK 500 C8 A B 3866 C LYS 7 43 1.26 REMARK 500 C4 A B 2861 CE LYS 2 40 1.26 REMARK 500 O THR L 88 CB PHE Q 81 1.26 REMARK 500 O2P C B 463 NH2 ARG F 46 1.27 REMARK 500 P U B 824 CA GLY M 33 1.27 REMARK 500 N3 A B 862 NE2 GLN Z 21 1.27 REMARK 500 O4* U B 1141 CA TYR K 106 1.27 REMARK 500 N3 A B 1796 CB SER D 51 1.27 REMARK 500 C1* C B 1797 CG2 ILE D 49 1.27 REMARK 500 C4* C B 1829 C4* A B 1911 1.27 REMARK 500 O1P C B 2343 O ARG X 39 1.27 REMARK 500 C4* G B 2463 OE1 GLN N 47 1.27 REMARK 500 P A B 491 NE ARG V 3 1.28 REMARK 500 C1* A B 2448 CD ARG N 57 1.28 REMARK 500 C2 G A 77 CE2 TYR W 24 1.28 REMARK 500 O2P G B 165 C CYS 1 12 1.29 REMARK 500 O1P G B 227 CZ ARG M 59 1.29 REMARK 500 O2P A B 490 C PRO V 4 1.29 REMARK 500 O3* A B 511 NE2 GLN T 16 1.29 REMARK 500 N2 G B 699 CA THR 4 4 1.29 REMARK 500 O3* U B 868 CE1 HIS X 57 1.29 REMARK 500 O5* U B 1044 CG1 VAL 6 16 1.29 REMARK 500 C4* U B 1141 N GLN K 107 1.29 REMARK 500 C6 G B 2578 CD GLU D 237 1.29 REMARK 500 O2P C A 107 N GLU W 90 1.29 REMARK 500 N1 U B 857 O2 U B 946 1.30 REMARK 500 O2* A B 891 O6 G B 893 1.30 REMARK 500 O2P A B 1138 NH1 ARG 6 4 1.30 REMARK 500 O3* G A 105 CB PRO W 91 1.30 REMARK 500 O2* G B 164 SG CYS 1 12 1.31 REMARK 500 O3* A B 511 OE1 GLN T 16 1.31 REMARK 500 O4* C B 915 OD2 ASP W 163 1.31 REMARK 500 O1P A B 1349 NH2 ARG U 64 1.31 REMARK 500 N3 G B 1803 N GLY D 47 1.31 REMARK 500 O2* A B 2600 O GLY E 158 1.31 REMARK 500 O5* G B 318 OD1 ASN T 10 1.32 REMARK 500 O5* A B 491 NH1 ARG V 3 1.32 REMARK 500 O1P A B 1043 CA LYS 6 9 1.32 REMARK 500 O2* A B 1043 O VAL 6 16 1.32 REMARK 500 P A B 490 O ARG V 3 1.33 REMARK 500 O2P C B 574 CD GLN S 79 1.33 REMARK 500 C6 G B 1041 N SER 6 6 1.33 REMARK 500 C6 G B 1142 CA THR K 104 1.33 REMARK 500 N2 G B 2806 CE1 HIS 2 43 1.33 REMARK 500 C2* U B 2859 CG ASP 2 53 1.33 REMARK 500 P A B 490 C ARG V 3 1.34 REMARK 500 C4 G B 699 CA TYR 4 5 1.34 REMARK 500 C2 U B 857 O2 U B 946 1.34 REMARK 500 C3* G B 1142 NZ LYS K 111 1.34 REMARK 500 N1 G B 1142 N THR K 104 1.34 REMARK 500 C5* A B 1746 C LYS Q 126 1.34 REMARK 500 O1P U B 1789 CB LEU D 257 1.34 REMARK 500 P C B 2239 NH1 ARG X 14 1.34 REMARK 500 O2* G B 2463 NE2 GLN N 47 1.34 REMARK 500 O1P U B 2590 NZ LYS E 132 1.34 REMARK 500 N3 G A 92 C ALA N 22 1.34 REMARK 500 P C A 97 CG LYS W 11 1.34 REMARK 500 O1P A B 490 C ARG V 3 1.35 REMARK 500 O5* A B 490 C ARG V 3 1.35 REMARK 500 O2 U B 544 OH TYR R 45 1.35 REMARK 500 O4* U B 1141 CB TYR K 106 1.35 REMARK 500 C2 U B 1141 C GLY K 105 1.35 REMARK 500 N2 G B 1142 CG TYR K 103 1.35 REMARK 500 N4 C B 1581 NH2 ARG D 28 1.35 REMARK 500 C4 A B 1796 OG SER D 51 1.35 REMARK 500 O1P G B 2576 NH1 ARG D 239 1.35 REMARK 500 C5* A B 2577 C GLY D 235 1.35 REMARK 500 C2 G A 77 CZ TYR W 24 1.35 REMARK 500 C4 G A 77 CZ TYR W 24 1.35 REMARK 500 O2P C A 97 NZ LYS W 11 1.35 REMARK 500 O1P G B 115 CZ ARG 4 19 1.36 REMARK 500 C3* A B 512 CA LYS T 15 1.36 REMARK 500 O2* A B 512 CG LYS T 15 1.36 REMARK 500 O1P U B 597 C LYS M 28 1.36 REMARK 500 O3* G B 1042 CA LYS 6 8 1.36 REMARK 500 N1 A B 1437 O6 G B 1438 1.36 REMARK 500 O2* C B 1797 CD1 ILE D 49 1.36 REMARK 500 N6 A B 124 OG SER 4 45 1.37 REMARK 500 P G B 318 OD1 ASN T 10 1.37 REMARK 500 C5* A B 491 NH2 ARG V 3 1.37 REMARK 500 P A B 918 CD1 LEU W 120 1.37 REMARK 500 O5* A B 918 CG LEU W 120 1.37 REMARK 500 N1 G B 1041 CA SER 6 5 1.37 REMARK 500 O4* A B 3865 NZ LYS 7 43 1.37 REMARK 500 N9 A B 3866 N GLY 7 44 1.37 REMARK 500 C2* G B 2862 O LEU 2 30 1.37 REMARK 500 CZ ARG E 19 C LYS Q 64 1.37 REMARK 500 O GLY E 194 C GLN Q 2 1.37 REMARK 500 O2* U B 339 CE1 HIS V 77 1.38 REMARK 500 O2* C B 1018 O LEU K 135 1.38 REMARK 500 O3* G B 1045 NH2 ARG 6 18 1.38 REMARK 500 O2* C B 1828 O1P G B 1912 1.38 REMARK 500 C4* G B 2029 NH1 ARG 2 19 1.38 REMARK 500 O3* G B 2029 NH2 ARG 2 19 1.38 REMARK 500 C2* U B 3122 CD GLN 7 162 1.38 REMARK 500 O3* G B 2463 CG GLN N 47 1.38 REMARK 500 N2 G A 92 CA LYS N 23 1.38 REMARK 500 O LEU E 27 NH1 ARG Q 9 1.38 REMARK 500 NH2 ARG L 119 ND2 ASN Q 43 1.38 REMARK 500 O1P G B 227 NH1 ARG M 59 1.39 REMARK 500 C4* G B 818 OG SER M 41 1.39 REMARK 500 O2P U B 824 N GLY M 33 1.39 REMARK 500 C1* U B 857 O2 U B 946 1.39 REMARK 500 O4* A B 1043 CA VAL 6 23 1.39 REMARK 500 O2 C B 1797 CB ILE D 49 1.39 REMARK 500 O2* G B 1803 CD ARG D 46 1.39 REMARK 500 C5* G B 3867 C LYS 7 42 1.39 REMARK 500 O1P U B 2057 N VAL D 229 1.39 REMARK 500 N1 U B 2859 CA ASP 2 53 1.39 REMARK 500 C2 U B 2859 CB ASP 2 53 1.39 REMARK 500 N2 G A 77 CE2 TYR W 24 1.39 REMARK 500 O1P G B 227 NH2 ARG M 59 1.40 REMARK 500 O1P G B 318 OD1 ASN T 10 1.40 REMARK 500 P A B 491 NH2 ARG V 3 1.40 REMARK 500 N3 G B 699 N TYR 4 5 1.40 REMARK 500 N3 G B 699 CA TYR 4 5 1.40 REMARK 500 O1P C B 1380 SD MET 1 1 1.40 REMARK 500 O2 C B 2445 CD ARG N 120 1.40 REMARK 500 N2 G B 2461 CD1 ILE N 53 1.40 REMARK 500 O1P C B 2475 CG MET N 84 1.40 REMARK 500 C2 A B 2861 NZ LYS 2 40 1.40 REMARK 500 NH1 ARG E 176 CD1 ILE Q 16 1.40 REMARK 500 OD1 ASP L 85 CZ PHE Q 83 1.40 REMARK 500 C4* G B 338 CG HIS V 9 1.41 REMARK 500 C3* A B 489 O PRO V 4 1.41 REMARK 500 N7 G B 811 NH1 ARG F 56 1.41 REMARK 500 C3* U B 910 O2P A B 911 1.41 REMARK 500 C5 G B 1041 N SER 6 6 1.41 REMARK 500 N1 G B 1041 N SER 6 6 1.41 REMARK 500 P A B 1138 NH2 ARG 6 4 1.41 REMARK 500 C3* U B 3122 NE2 GLN 7 162 1.41 REMARK 500 O1P G B 2619 NH1 ARG K 125 1.41 REMARK 500 O2* C B 2765 CA GLY E 65 1.41 REMARK 500 O2* A B 2785 OD1 ASN E 60 1.41 REMARK 500 C4* A B 8 OD1 ASN K 36 1.42 REMARK 500 N6 A B 48 N6 A B 153 1.42 REMARK 500 O2P G B 478 NE ARG 4 34 1.42 REMARK 500 P A B 490 N PRO V 4 1.42 REMARK 500 C1* A B 512 CB LYS T 15 1.42 REMARK 500 O1P U B 824 C GLY M 33 1.42 REMARK 500 O3* A B 1040 CE LYS N 125 1.42 REMARK 500 C6 A B 2411 O ARG 1 28 1.42 REMARK 500 C1* C B 2446 OE2 GLU N 117 1.42 REMARK 500 O3* U B 2766 OE1 GLN E 64 1.42 REMARK 500 O2 U B 857 O2 U B 946 1.43 REMARK 500 N3 G B 887 O LEU W 166 1.43 REMARK 500 O6 G B 1402 N4 C B 1412 1.43 REMARK 500 O5* A B 2577 C GLY D 235 1.43 REMARK 500 O3* G A 105 C PRO W 91 1.43 REMARK 500 O GLU N 106 CG2 VAL W 113 1.43 REMARK 500 P G B 156 CZ ARG 4 28 1.44 REMARK 500 O2* G B 227 CZ ARG M 55 1.44 REMARK 500 C3* C B 1135 CG ARG 6 4 1.44 REMARK 500 O1P G B 1809 NE ARG D 63 1.44 REMARK 500 CG ASP L 85 CZ PHE Q 83 1.44 REMARK 500 CD2 TYR W 84 NH1 ARG W 128 1.44 REMARK 500 O2P A B 490 N PRO V 4 1.45 REMARK 500 C2 U B 857 C2 U B 946 1.45 REMARK 500 N2 G B 887 C GLU W 165 1.45 REMARK 500 O2 U B 910 C5* A B 911 1.45 REMARK 500 O1P G B 967 CB THR N 76 1.45 REMARK 500 O2P G B 1136 NH1 ARG 6 4 1.45 REMARK 500 C1* A B 3866 O LYS 7 43 1.45 REMARK 500 N1 A B 3866 N ASP 7 45 1.45 REMARK 500 P C B 2399 CB GLN 5 32 1.45 REMARK 500 O4* A B 2432 O2* A B 2551 1.45 REMARK 500 N2 G B 2602 CE1 HIS 2 22 1.45 REMARK 500 O1P G B 2797 N LYS E 111 1.45 REMARK 500 C2 A B 2861 CD LYS 2 40 1.45 REMARK 500 N6 A B 176 OE1 GLU 1 30 1.46 REMARK 500 O1P G B 478 NH2 ARG 4 34 1.46 REMARK 500 C5* A B 490 CA ARG V 3 1.46 REMARK 500 O2 C B 497 O ALA T 77 1.46 REMARK 500 C3* A B 511 CD GLN T 16 1.46 REMARK 500 C6 G B 699 CB TYR 4 5 1.46 REMARK 500 P G B 1142 O GLN K 107 1.46 REMARK 500 O1P A B 1746 CB VAL Q 124 1.46 REMARK 500 O2 U B 1804 CA ARG D 46 1.46 REMARK 500 O2* G B 2332 OE1 GLU X 29 1.46 REMARK 500 N3 G B 2602 CE1 HIS 2 22 1.46 REMARK 500 O1P G B 2619 NH2 ARG K 125 1.46 REMARK 500 N3 U B 2859 CA ASP 2 53 1.46 REMARK 500 O2 U B 857 N3 U B 946 1.47 REMARK 500 C2 A B 1081 O LYS J 9 1.47 REMARK 500 C2* U B 1141 N GLN K 107 1.47 REMARK 500 O1P U B 1817 N SER D 224 1.47 REMARK 500 C4* C B 1835 NZ LYS D 255 1.47 REMARK 500 CZ ARG L 119 ND2 ASN Q 43 1.47 REMARK 500 C8 G B 699 O TYR 4 5 1.48 REMARK 500 N3 G B 742 CG2 THR D 18 1.48 REMARK 500 N7 G B 1236 CD1 ILE S 71 1.48 REMARK 500 C2 U B 1804 CB ARG D 46 1.48 REMARK 500 O2P U B 2219 O VAL D 229 1.48 REMARK 500 O2 C B 2446 OE2 GLU N 117 1.48 REMARK 500 O6 G B 2578 CD GLU D 237 1.48 REMARK 500 O3* C A 96 CE LYS W 11 1.48 REMARK 500 C GLY E 194 N GLN Q 2 1.48 REMARK 500 O4* U B 917 CG LEU W 166 1.49 REMARK 500 O2P A B 918 CG LEU W 120 1.49 REMARK 500 O4* G B 1042 C SER 6 6 1.49 REMARK 500 N3 G B 1136 OG SER 6 5 1.49 REMARK 500 C2* U B 1141 C TYR K 106 1.49 REMARK 500 O3* G B 1142 NZ LYS K 111 1.49 REMARK 500 O1P A B 1582 CD1 LEU D 24 1.49 REMARK 500 O2P U B 1817 N GLY D 223 1.49 REMARK 500 O2P U B 1817 CA GLY D 223 1.49 REMARK 500 C4 G B 2464 NH1 ARG N 120 1.49 REMARK 500 O2* G B 2474 CD ARG N 83 1.49 REMARK 500 C4 U B 2859 CA TYR 2 52 1.49 REMARK 500 C2 A B 2861 CE LYS 2 40 1.49 REMARK 500 N1 G A 92 O ALA N 22 1.49 REMARK 500 C3* G B 164 CB CYS 1 12 1.50 REMARK 500 O3* G B 227 CD ARG M 55 1.50 REMARK 500 O2* G B 504 O PHE T 25 1.50 REMARK 500 O2* G B 505 N ASP T 83 1.50 REMARK 500 O1P G B 508 CE LYS T 19 1.50 REMARK 500 O2P G B 1042 CE LYS 6 8 1.50 REMARK 500 O1P C B 1808 OD1 ASN D 87 1.50 REMARK 500 P U B 1817 CA GLY D 223 1.50 REMARK 500 O2* C B 1885 N ALA D 242 1.50 REMARK 500 O2* G B 2309 ND2 ASN X 71 1.50 REMARK 500 O2* C B 2494 CA GLY K 108 1.50 REMARK 500 N3 G A 77 CE2 TYR W 24 1.50 REMARK 500 N3 G B 505 CG ASN T 82 1.51 REMARK 500 O3* U B 680 CE1 PHE M 48 1.51 REMARK 500 O6 G B 699 CD1 TYR 4 5 1.51 REMARK 500 O4* C B 1829 C4* A B 1911 1.51 REMARK 500 O4* C B 1829 O4* A B 1911 1.51 REMARK 500 C4* A B 2448 CE1 HIS N 58 1.51 REMARK 500 O2* C B 2500 N3 A B 2543 1.51 REMARK 500 P G B 2619 CZ ARG K 125 1.51 REMARK 500 C5* G B 156 NH2 ARG 4 28 1.52 REMARK 500 O2P G B 166 CZ3 TRP 1 36 1.52 REMARK 500 O2* G B 338 O HIS V 9 1.52 REMARK 500 N3 A B 891 N2 G B 893 1.52 REMARK 500 O4* U B 910 O1P A B 911 1.52 REMARK 500 P G B 1136 CD ARG 6 4 1.52 REMARK 500 O2 U B 1141 N TYR K 106 1.52 REMARK 500 C3* A B 1746 O LYS Q 126 1.52 REMARK 500 N3 G B 1803 C ARG D 46 1.52 REMARK 500 C2 A B 3866 C GLY 7 44 1.52 REMARK 500 P U B 2057 C PRO D 228 1.52 REMARK 500 C5* G B 2495 C GLY K 108 1.52 REMARK 500 O4* C B 2748 CG LYS K 121 1.52 REMARK 500 O5* G B 166 CZ2 TRP 1 36 1.53 REMARK 500 P G B 227 CZ ARG M 59 1.53 REMARK 500 C3* A B 490 NE ARG V 3 1.53 REMARK 500 O4* U B 910 P A B 911 1.53 REMARK 500 O1P A B 1138 NH2 ARG 6 4 1.53 REMARK 500 C1* U B 1141 C TYR K 106 1.53 REMARK 500 O2 U B 1141 CA GLY K 105 1.53 REMARK 500 C6 C B 2748 CE LYS K 121 1.53 REMARK 500 N2 G A 92 O ALA N 22 1.53 REMARK 500 CB SER L 87 CA PHE Q 83 1.53 REMARK 500 C4 G B 699 C TYR 4 5 1.54 REMARK 500 O1P U B 824 O GLY M 33 1.54 REMARK 500 C2 U B 857 N3 U B 946 1.54 REMARK 500 C2* C B 915 CG ASP W 163 1.54 REMARK 500 O3* G B 1070 CE MET J 74 1.54 REMARK 500 C1* U B 1141 N TYR K 106 1.54 REMARK 500 C2 G B 1142 C TYR K 103 1.54 REMARK 500 O6 G B 1401 O4 U B 1413 1.54 REMARK 500 O6 G B 1861 O ASN 7 199 1.54 REMARK 500 O2 C B 2008 CE2 TYR K 103 1.54 REMARK 500 N7 G B 2229 O GLY N 85 1.54 REMARK 500 N1 A B 2411 O ARG 1 28 1.54 REMARK 500 O2 U B 2470 O3* G B 2548 1.54 REMARK 500 C1* C B 2725 O GLN H 139 1.54 REMARK 500 O4* C B 2790 OG SER 2 42 1.54 REMARK 500 O2 U B 2859 CA ASP 2 53 1.54 REMARK 500 CD2 TYR W 84 NE ARG W 128 1.54 REMARK 500 O2P U B 416 NH2 ARG 7 217 1.55 REMARK 500 C3* G B 1042 N LYS 6 8 1.55 REMARK 500 O2P G B 1136 CD ARG 6 4 1.55 REMARK 500 O2P A B 1807 NH2 ARG D 88 1.55 REMARK 500 O5* G B 2495 O GLY K 108 1.55 REMARK 500 C2 G B 2602 CE1 HIS 2 22 1.55 REMARK 500 O1P G B 2760 O HIS K 145 1.55 REMARK 500 N3 G B 2760 CE LYS K 149 1.55 REMARK 500 O2* U B 2766 CA LYS E 61 1.55 REMARK 500 C2 G A 77 CD2 TYR W 24 1.55 REMARK 500 O2P U A 106 CA GLU W 90 1.55 REMARK 500 OG SER L 87 O PHE Q 81 1.55 REMARK 500 O1P G B 115 NH1 ARG 4 19 1.56 REMARK 500 P G B 156 NH1 ARG 4 28 1.56 REMARK 500 O3* A B 512 C LYS T 15 1.56 REMARK 500 O2* A B 512 CB LYS T 15 1.56 REMARK 500 C2 G B 699 CA TYR 4 5 1.56 REMARK 500 C4 G B 699 O TYR 4 5 1.56 REMARK 500 O3* G B 741 O THR D 17 1.56 REMARK 500 C5* U B 916 N ASP W 163 1.56 REMARK 500 N3 C B 1002 N1 G B 1174 1.56 REMARK 500 O3* G B 1042 C LYS 6 8 1.56 REMARK 500 O1P G B 1070 OD2 ASP J 114 1.56 REMARK 500 N3 G B 1142 N THR K 104 1.56 REMARK 500 O3* C B 2790 O SER 2 42 1.56 REMARK 500 O4* G A 77 OD1 ASN W 29 1.56 REMARK 500 O5* U A 106 CG PRO W 91 1.56 REMARK 500 N6 A B 124 CB SER 4 45 1.57 REMARK 500 O2P A B 490 CB PRO V 4 1.57 REMARK 500 N2 G B 503 OG SER T 74 1.57 REMARK 500 O2* A B 542 ND2 ASN R 41 1.57 REMARK 500 C3* A B 891 N7 G B 893 1.57 REMARK 500 O3* A B 891 C8 G B 893 1.57 REMARK 500 O3* C B 915 CG ASP W 163 1.57 REMARK 500 C2* G B 1041 O SER 6 6 1.57 REMARK 500 C4 A B 1750 O2 U B 2675 1.57 REMARK 500 N1 A B 3875 CB LYS 7 43 1.57 REMARK 500 C4* C B 2008 CA GLY K 105 1.57 REMARK 500 C5* A B 2577 O GLY D 235 1.57 REMARK 500 C5 G B 2578 CD GLU D 237 1.57 REMARK 500 NH2 ARG E 19 C LYS Q 64 1.57 REMARK 500 P U B 9 CB ASN K 36 1.58 REMARK 500 O2* G B 338 C HIS V 9 1.58 REMARK 500 O2* G B 338 CB HIS V 9 1.58 REMARK 500 O3* A B 489 N SER V 5 1.58 REMARK 500 C2* A B 512 CB LYS T 15 1.58 REMARK 500 O1P A B 1043 C LYS 6 8 1.58 REMARK 500 O6 G B 1488 N3 G B 1536 1.58 REMARK 500 N3 A B 1884 CD ARG D 244 1.58 REMARK 500 O3* G B 2463 CD GLN N 47 1.58 REMARK 500 O2* C B 2646 ND1 HIS H 111 1.58 REMARK 500 C3* U B 2859 OD1 ASP 2 53 1.58 REMARK 500 O2* G A 105 CB PRO W 91 1.58 REMARK 500 C2* C B 418 OE2 GLU 7 197 1.59 REMARK 500 O3* A B 512 CA LYS T 15 1.59 REMARK 500 O2P A B 539 CG ARG K 139 1.59 REMARK 500 N1 G B 699 O THR 4 4 1.59 REMARK 500 O1P G B 742 OG1 THR D 18 1.59 REMARK 500 C5 G B 761 NH2 ARG T 111 1.59 REMARK 500 N1 A B 970 NH2 ARG N 83 1.59 REMARK 500 C4 C B 1581 NH2 ARG D 28 1.59 REMARK 500 C2* C B 1828 O1P G B 1912 1.59 REMARK 500 O3* A B 3865 CE LYS 7 43 1.59 REMARK 500 O1P A B 2577 C GLY D 235 1.59 REMARK 500 O2* U B 2599 O MET E 156 1.59 REMARK 500 O2* C B 2725 C GLN H 139 1.59 REMARK 500 NH2 ARG E 19 CA SER Q 65 1.59 REMARK 500 O GLY E 194 CA GLN Q 2 1.59 REMARK 500 O2P G B 166 CH2 TRP 1 36 1.60 REMARK 500 O3* A B 490 CZ ARG V 3 1.60 REMARK 500 N1 G B 699 CB TYR 4 5 1.60 REMARK 500 C2 G B 1136 OG SER 6 5 1.60 REMARK 500 O3* U B 1141 N GLN K 107 1.60 REMARK 500 N1 G B 1142 CA THR K 104 1.60 REMARK 500 N3 G B 1803 CA GLY D 47 1.60 REMARK 500 C1* C B 1828 O1P G B 1912 1.60 REMARK 500 C4* C B 1885 O GLY D 241 1.60 REMARK 500 C2 G B 2760 NZ LYS K 149 1.60 REMARK 500 O2P C A 107 CA GLU W 90 1.60 REMARK 500 CZ ARG E 19 O LYS Q 64 1.60 REMARK 500 OG SER L 87 N PHE Q 83 1.60 REMARK 500 O2* G B 1803 CG ARG D 46 1.61 REMARK 500 C2* G B 1805 O ASN D 44 1.61 REMARK 500 C5* C B 1829 C4* A B 1911 1.61 REMARK 500 O2P C B 2239 CZ ARG X 14 1.61 REMARK 500 N3 C B 2645 CD2 TYR H 109 1.61 REMARK 500 O2P G B 2760 CG2 THR K 146 1.61 REMARK 500 C5 U B 2859 CG TYR 2 52 1.61 REMARK 500 CD2 TYR W 84 CZ ARG W 128 1.61 REMARK 500 O2* A B 511 CG GLN T 16 1.62 REMARK 500 O1P G B 811 O THR F 54 1.62 REMARK 500 N7 G B 1142 OG1 THR K 104 1.62 REMARK 500 C4* C B 1829 O4* A B 1911 1.62 REMARK 500 O2* G B 2256 CZ PHE N 14 1.62 REMARK 500 C2* A B 2448 CZ ARG N 57 1.62 REMARK 500 O2* C B 2671 O2* U B 2822 1.62 REMARK 500 N2 G B 2806 ND1 HIS 2 43 1.62 REMARK 500 C2 U B 2859 N ASP 2 53 1.62 REMARK 500 O2 C B 2860 CG PRO 2 34 1.62 REMARK 500 CA PHE L 91 CD ARG Q 79 1.62 REMARK 500 O2* A B 8 OD1 ASN K 36 1.63 REMARK 500 P G B 165 C CYS 1 12 1.63 REMARK 500 O2P C B 226 NH1 ARG 1 28 1.63 REMARK 500 C2* A B 512 CA LYS T 15 1.63 REMARK 500 O2* A B 512 CA LYS T 15 1.63 REMARK 500 O2P C B 968 CG1 VAL N 75 1.63 REMARK 500 O4* A B 1043 CG2 VAL 6 23 1.63 REMARK 500 O4* A B 1043 C VAL 6 23 1.63 REMARK 500 O4 U B 1072 CB PRO J 54 1.63 REMARK 500 O3* C B 1135 CD ARG 6 4 1.63 REMARK 500 O5* U B 1817 CA GLY D 223 1.63 REMARK 500 C5* A B 2448 CE1 HIS N 58 1.63 REMARK 500 O2P G B 419 CD GLU 7 197 1.64 REMARK 500 P A B 490 CA PRO V 4 1.64 REMARK 500 C5* A B 627 NH1 ARG F 100 1.64 REMARK 500 O2* A B 801 OG1 THR 4 4 1.64 REMARK 500 C4 G B 1041 N SER 6 6 1.64 REMARK 500 N1 U B 1141 CA TYR K 106 1.64 REMARK 500 O5* G B 1142 CA GLN K 107 1.64 REMARK 500 C5 C B 2399 NE2 GLN 5 32 1.64 REMARK 500 CD2 LEU E 195 CB GLN Q 2 1.64 REMARK 500 CG GLU L 132 CD GLU Q 75 1.64 REMARK 500 O1P U B 18 O GLY R 26 1.65 REMARK 500 C1* A B 1043 CA VAL 6 23 1.65 REMARK 500 C3* C B 1135 CD ARG 6 4 1.65 REMARK 500 C5* U B 2057 CB PRO D 228 1.65 REMARK 500 C6 G B 2578 CG GLU D 237 1.65 REMARK 500 NH1 ARG L 83 CD2 PHE Q 81 1.65 REMARK 500 O1P U B 187 CG ASN 4 29 1.66 REMARK 500 O6 G B 699 CG TYR 4 5 1.66 REMARK 500 C4* G B 818 CB SER M 41 1.66 REMARK 500 P C B 869 ND1 HIS X 57 1.66 REMARK 500 C4 G B 887 O LEU W 166 1.66 REMARK 500 O2* U B 910 P A B 911 1.66 REMARK 500 C5* G B 965 CE MET N 18 1.66 REMARK 500 O4* U B 1141 C TYR K 106 1.66 REMARK 500 O4* G B 1398 N3 A B 1416 1.66 REMARK 500 C6 G B 1402 N4 C B 1412 1.66 REMARK 500 C5* A B 1746 OXT LYS Q 126 1.66 REMARK 500 N2 G B 1803 C ARG D 46 1.66 REMARK 500 P A B 2577 C GLY D 235 1.66 REMARK 500 O2 U B 2859 OD2 ASP 2 53 1.66 REMARK 500 O3* G A 105 N PRO W 91 1.66 REMARK 500 C4* G B 227 NE ARG M 55 1.67 REMARK 500 O2P A B 491 NE ARG V 3 1.67 REMARK 500 O2* G B 505 C ASN T 82 1.67 REMARK 500 C4* G B 543 OD1 ASN R 41 1.67 REMARK 500 C6 G B 699 CG TYR 4 5 1.67 REMARK 500 N2 G B 699 N TYR 4 5 1.67 REMARK 500 O2P A B 777 NH2 ARG D 211 1.67 REMARK 500 C5 G B 811 NH1 ARG F 56 1.67 REMARK 500 N3 A B 891 C2 G B 893 1.67 REMARK 500 C6 U B 910 O1P A B 911 1.67 REMARK 500 O1P G B 965 CB MET N 18 1.67 REMARK 500 O2P A B 1138 CZ ARG 6 4 1.67 REMARK 500 O2* G B 1142 NZ LYS K 111 1.67 REMARK 500 N1 A B 1400 O6 G B 1414 1.67 REMARK 500 O4* U B 3122 NE2 GLN 7 162 1.67 REMARK 500 C6 C B 2399 NE2 GLN 5 32 1.67 REMARK 500 O3* A B 2618 NH1 ARG K 125 1.67 REMARK 500 O2* G B 2724 CA GLN H 143 1.67 REMARK 500 O2 C B 2790 NE2 HIS 2 43 1.67 REMARK 500 O4 U B 2859 C TYR 2 52 1.67 REMARK 500 C5* C A 107 N GLY W 89 1.67 REMARK 500 CB ASP L 85 CE2 PHE Q 83 1.67 REMARK 500 O4 U B 575 CG GLN S 79 1.68 REMARK 500 N7 G B 761 NH2 ARG T 111 1.68 REMARK 500 P U B 824 C GLY M 33 1.68 REMARK 500 C1* A B 891 C5 G B 893 1.68 REMARK 500 N3 G B 934 CG LYS X 25 1.68 REMARK 500 O3* G B 1042 N LYS 6 8 1.68 REMARK 500 P G B 1136 NE ARG 6 4 1.68 REMARK 500 O2P G B 1136 NE ARG 6 4 1.68 REMARK 500 C4* U B 1141 C TYR K 106 1.68 REMARK 500 O1P A B 1349 CZ ARG U 64 1.68 REMARK 500 O1P G B 1374 CG2 THR 1 52 1.68 REMARK 500 O4* A B 3866 O LYS 7 43 1.68 REMARK 500 N3 A B 1884 NE ARG D 244 1.68 REMARK 500 P A B 2577 CA GLY D 236 1.68 REMARK 500 O2 C B 2855 O GLY O 92 1.68 REMARK 500 C5 U B 2859 N ASP 2 53 1.68 REMARK 500 C2 G A 77 CE1 TYR W 24 1.68 REMARK 500 O GLY E 194 N GLN Q 2 1.68 REMARK 500 CG LEU E 195 CB GLN Q 2 1.68 REMARK 500 O3* A B 489 C PRO V 4 1.69 REMARK 500 P A B 490 C PRO V 4 1.69 REMARK 500 C2* U B 910 O2P A B 911 1.69 REMARK 500 C4* U B 917 CD2 LEU W 166 1.69 REMARK 500 N2 G B 1142 CB TYR K 103 1.69 REMARK 500 O1P G B 1815 CG2 ILE D 54 1.69 REMARK 500 O1P U B 1817 C GLY D 223 1.69 REMARK 500 O3* C B 2254 CD LYS N 86 1.69 REMARK 500 O2 C B 2445 NE ARG N 120 1.69 REMARK 500 O5* A B 2448 NE2 HIS N 58 1.69 REMARK 500 C3* A B 2448 NH1 ARG N 57 1.69 REMARK 500 C1* A B 2448 CG ARG N 57 1.69 REMARK 500 N3 G B 2464 NH1 ARG N 120 1.69 REMARK 500 C4 U B 2470 O2* G B 2548 1.69 REMARK 500 O2* C A 44 NE2 GLN G 63 1.69 REMARK 500 O2* G A 77 ND2 ASN W 29 1.69 REMARK 500 O2P C A 97 CE LYS W 11 1.69 REMARK 500 CB THR W 49 NE2 GLN W 132 1.69 REMARK 500 C1* G B 338 O HIS V 9 1.70 REMARK 500 C4* A B 512 CA LYS T 15 1.70 REMARK 500 O1P C B 827 O ARG S 83 1.70 REMARK 500 C5* G B 1042 N LYS 6 8 1.70 REMARK 500 P A B 1043 C LYS 6 8 1.70 REMARK 500 O4* A B 1043 CB VAL 6 23 1.70 REMARK 500 O2* A B 1043 C VAL 6 16 1.70 REMARK 500 O2P G B 1136 CZ ARG 6 4 1.70 REMARK 500 C3* U B 1141 CA GLN K 107 1.70 REMARK 500 O3* U B 1141 CG GLN K 107 1.70 REMARK 500 O1P G B 1148 CE2 PHE K 132 1.70 REMARK 500 C3* C B 1888 O1P G B 1889 1.70 REMARK 500 O2P C B 2237 NZ LYS X 4 1.70 REMARK 500 C1* G B 2463 CD1 LEU N 121 1.70 REMARK 500 O4 U B 2859 C TYR 2 51 1.70 REMARK 500 CD1 PHE L 91 CG ARG Q 79 1.70 REMARK 500 O ILE N 36 NH2 ARG W 74 1.70 REMARK 500 CG2 THR W 48 O ILE W 130 1.70 REMARK 500 O3* A B 8 ND2 ASN K 36 1.71 REMARK 500 O1P G B 15 NH1 ARG 2 20 1.71 REMARK 500 O2* G B 227 NH1 ARG M 55 1.71 REMARK 500 C5* G B 338 CD2 HIS V 9 1.71 REMARK 500 C3* C B 418 OE2 GLU 7 197 1.71 REMARK 500 N1 G B 1041 O SER 6 5 1.71 REMARK 500 O3* A B 1109 CD1 ILE J 7 1.71 REMARK 500 P C B 1380 SD MET 1 1 1.71 REMARK 500 N6 A B 1583 OG SER D 89 1.71 REMARK 500 N3 A B 3866 CA GLY 7 44 1.71 REMARK 500 C2 C B 2725 OE1 GLN H 143 1.71 REMARK 500 C1* G B 2760 CD LYS K 149 1.71 REMARK 500 O2* C B 2790 C SER 2 42 1.71 REMARK 500 N2 G A 77 CG TYR W 24 1.71 REMARK 500 N1 A B 6 N3 U B 2871 1.72 REMARK 500 C2* G B 338 O HIS V 9 1.72 REMARK 500 O2* A B 489 OG SER V 5 1.72 REMARK 500 C5* G B 506 O ASN T 82 1.72 REMARK 500 C5 G B 699 CA TYR 4 5 1.72 REMARK 500 C4* G B 1042 C VAL 6 7 1.72 REMARK 500 P A B 1043 N LYS 6 9 1.72 REMARK 500 O6 G B 1142 N GLY K 105 1.72 REMARK 500 N2 G B 1142 CA TYR K 103 1.72 REMARK 500 N1 G B 1438 O2 U B 1591 1.72 REMARK 500 O2* A B 1669 N2 G B 2797 1.72 REMARK 500 N2 G B 2032 SD MET E 156 1.72 REMARK 500 N7 G B 2229 C GLY N 85 1.72 REMARK 500 O1P C B 2239 NH2 ARG X 14 1.72 REMARK 500 O2 C A 44 C THR G 90 1.72 REMARK 500 C1* G A 77 CG ASN W 29 1.72 REMARK 500 C PHE L 91 NH1 ARG Q 79 1.72 REMARK 500 OG1 THR W 49 CD GLN W 132 1.72 REMARK 500 C4* A B 8 CG ASN K 36 1.73 REMARK 500 O5* G B 156 CZ ARG 4 28 1.73 REMARK 500 C4* G B 164 CB CYS 1 12 1.73 REMARK 500 O3* A B 512 O LYS T 15 1.73 REMARK 500 C6 G B 699 CD1 TYR 4 5 1.73 REMARK 500 C6 G B 761 NH2 ARG T 111 1.73 REMARK 500 O1P G B 967 CG2 THR N 76 1.73 REMARK 500 C2 G B 1041 N SER 6 6 1.73 REMARK 500 O2* G B 1142 CE LYS K 111 1.73 REMARK 500 O5* C B 1673 CZ ARG E 136 1.73 REMARK 500 N2 G B 1816 CD LYS D 252 1.73 REMARK 500 N3 A B 3866 O GLY 7 44 1.73 REMARK 500 O3* C B 2056 O PRO D 228 1.73 REMARK 500 O1P U B 2219 CG1 VAL D 229 1.73 REMARK 500 O5* U B 2236 CB SER X 10 1.73 REMARK 500 C3* C B 2254 CG LYS N 86 1.73 REMARK 500 O2* A B 2448 NE ARG N 57 1.73 REMARK 500 O2 U B 2599 O ALA E 157 1.73 REMARK 500 O2* G B 2760 CD LYS K 149 1.73 REMARK 500 O5* U B 2859 CE1 TYR 2 52 1.73 REMARK 500 C1* G B 2862 O LEU 2 30 1.73 REMARK 500 O2* C A 44 CD GLN G 63 1.73 REMARK 500 C4 G A 77 OH TYR W 24 1.73 REMARK 500 N3 G A 92 O ALA N 22 1.73 REMARK 500 P U A 106 CG PRO W 91 1.73 REMARK 500 CA PHE L 91 NE ARG Q 79 1.73 REMARK 500 O PHE L 91 NH1 ARG Q 79 1.73 REMARK 500 O4* G B 338 CD2 HIS V 9 1.74 REMARK 500 O4* G B 338 NE2 HIS V 9 1.74 REMARK 500 O2P G B 419 OE2 GLU 7 197 1.74 REMARK 500 O1P A B 491 NH2 ARG V 3 1.74 REMARK 500 O3* A B 511 CG GLN T 16 1.74 REMARK 500 N3 U B 857 N3 U B 946 1.74 REMARK 500 O2 U B 910 C4* A B 911 1.74 REMARK 500 O2P A B 1138 NH2 ARG 6 4 1.74 REMARK 500 O2* U B 1141 C TYR K 106 1.74 REMARK 500 N1 U B 1141 O GLY K 105 1.74 REMARK 500 C5 G B 1142 N GLY K 105 1.74 REMARK 500 N1 G B 1142 C THR K 104 1.74 REMARK 500 C2 G B 1803 C ARG D 46 1.74 REMARK 500 O2* G B 1805 C ASN D 44 1.74 REMARK 500 C5* C B 1829 C5* A B 1911 1.74 REMARK 500 C4 A B 3866 C LYS 7 43 1.74 REMARK 500 C2 A B 1884 CD ARG D 244 1.74 REMARK 500 N2 G B 2463 CD ARG N 120 1.74 REMARK 500 C2 U B 2470 O3* G B 2548 1.74 REMARK 500 N3 C A 44 CB THR G 90 1.74 REMARK 500 NH2 ARG N 68 CB VAL W 117 1.74 REMARK 500 O2* A B 6 CG PRO K 163 1.75 REMARK 500 O2* G B 156 NH2 ARG 4 35 1.75 REMARK 500 O2P A B 491 CZ ARG V 3 1.75 REMARK 500 C1* G B 699 O TYR 4 5 1.75 REMARK 500 C4 G B 742 CG2 THR D 18 1.75 REMARK 500 O2* C B 828 O3* U B 1176 1.75 REMARK 500 C4* C B 869 CB HIS X 57 1.75 REMARK 500 C2 A B 891 O2 C B 909 1.75 REMARK 500 C3* C B 915 CB ASP W 163 1.75 REMARK 500 O2* C B 1018 C LEU K 135 1.75 REMARK 500 C5* G B 1042 CD LYS 6 8 1.75 REMARK 500 C6 U B 1325 CE LYS U 61 1.75 REMARK 500 O2* G B 1356 C8 G B 1613 1.75 REMARK 500 N3 U B 1490 O2P C B 1535 1.75 REMARK 500 N2 G B 1805 CD ARG D 52 1.75 REMARK 500 O4* A B 3876 OD2 ASP 7 40 1.75 REMARK 500 O2P G B 2218 N ASP D 230 1.75 REMARK 500 N2 G B 2553 OG SER E 140 1.75 REMARK 500 C1* C B 2646 ND1 HIS H 111 1.75 REMARK 500 O4* U B 2672 O2* U B 2822 1.75 REMARK 500 O2 U B 2789 O LEU 2 41 1.75 REMARK 500 C4* G B 2862 OE2 GLU 2 32 1.75 REMARK 500 O3* G A 105 CG PRO W 91 1.75 REMARK 500 N1 A B 5 N3 U B 2872 1.76 REMARK 500 O6 G B 115 N6 A B 117 1.76 REMARK 500 O2P G B 165 N LYS 1 13 1.76 REMARK 500 O5* G B 166 CH2 TRP 1 36 1.76 REMARK 500 C3* A B 490 CD ARG V 3 1.76 REMARK 500 C5* C B 827 N THR S 84 1.76 REMARK 500 O2 U B 857 N1 U B 946 1.76 REMARK 500 N3 G B 887 O GLU W 165 1.76 REMARK 500 N2 G B 934 CG LYS X 25 1.76 REMARK 500 C2 G B 1041 CA SER 6 5 1.76 REMARK 500 O1P G B 1070 OD1 ASP J 114 1.76 REMARK 500 O5* G B 3867 C LYS 7 42 1.76 REMARK 500 C5* U B 2365 NH1 ARG X 39 1.76 REMARK 500 N1 C B 2446 OE2 GLU N 117 1.76 REMARK 500 O6 G B 2461 CG1 VAL N 54 1.76 REMARK 500 N3 U B 2470 O2* G B 2548 1.76 REMARK 500 P G B 2619 NH1 ARG K 125 1.76 REMARK 500 O2 C B 2790 CE1 HIS 2 43 1.76 REMARK 500 O2* U B 2859 OD1 ASP 2 53 1.76 REMARK 500 CA PHE L 91 NH1 ARG Q 79 1.76 REMARK 500 N1 U B 917 CD1 LEU W 166 1.77 REMARK 500 C4* A B 1143 CD LYS K 111 1.77 REMARK 500 O4* A B 1441 N6 A B 1587 1.77 REMARK 500 C4 A B 3866 C GLY 7 44 1.77 REMARK 500 O3* C B 2254 CB LYS N 86 1.77 REMARK 500 P G B 2255 CG LYS N 86 1.77 REMARK 500 O2* C B 2725 N LEU H 140 1.77 REMARK 500 CZ ARG E 176 CD1 ILE Q 16 1.77 REMARK 500 O2* G B 227 NH2 ARG M 55 1.78 REMARK 500 C5* G B 492 NH1 ARG V 3 1.78 REMARK 500 O2P A B 681 CE1 PHE M 48 1.78 REMARK 500 C2* G B 888 OE1 GLU W 165 1.78 REMARK 500 O2P G B 1142 O GLN K 107 1.78 REMARK 500 C5 G B 1142 OG1 THR K 104 1.78 REMARK 500 O4* A B 1143 CG LYS K 111 1.78 REMARK 500 O1P G B 1508 O GLY D 100 1.78 REMARK 500 N1 A B 1796 OG SER D 51 1.78 REMARK 500 C2 A B 1796 CB SER D 51 1.78 REMARK 500 C1* C B 2254 CE LYS N 86 1.78 REMARK 500 C1* C B 2334 CE LYS X 32 1.78 REMARK 500 C2* G B 2760 CD LYS K 149 1.78 REMARK 500 NH1 ARG E 176 CG1 ILE Q 16 1.78 REMARK 500 O4* C B 127 N2 G B 1360 1.79 REMARK 500 P G B 227 NH1 ARG M 59 1.79 REMARK 500 O2P G B 401 OE2 GLU 1 23 1.79 REMARK 500 O2* A B 489 CB SER V 5 1.79 REMARK 500 O2* A B 512 CD LYS T 15 1.79 REMARK 500 O2P C B 574 CG GLN S 79 1.79 REMARK 500 O4* G B 887 CA THR W 167 1.79 REMARK 500 N2 G B 1041 C SER 6 5 1.79 REMARK 500 N3 G B 1041 C SER 6 5 1.79 REMARK 500 C4* G B 1042 N VAL 6 7 1.79 REMARK 500 O1P G B 1070 CG ASP J 114 1.79 REMARK 500 O2 U B 1141 O GLY K 105 1.79 REMARK 500 N1 G B 1142 N GLY K 105 1.79 REMARK 500 O5* C B 1673 NH1 ARG E 136 1.79 REMARK 500 O4* C B 1829 C1* A B 1911 1.79 REMARK 500 O4* U B 2192 CE LYS D 39 1.79 REMARK 500 C6 G B 2578 OE2 GLU D 237 1.79 REMARK 500 C4 U B 2859 N TYR 2 52 1.79 REMARK 500 O2* U A 106 CD1 TYR W 88 1.79 REMARK 500 C4* C A 107 N GLY W 89 1.79 REMARK 500 CG TYR W 84 NE ARG W 128 1.79 REMARK 500 C5 C B 226 NH2 ARG 1 28 1.80 REMARK 500 P G B 419 CG GLU 7 197 1.80 REMARK 500 C3* A B 489 C PRO V 4 1.80 REMARK 500 P C B 596 O THR M 29 1.80 REMARK 500 O2* A B 966 O LYS N 86 1.80 REMARK 500 O3* C B 1091 CG ASN J 125 1.80 REMARK 500 O4* A B 1143 CE LYS K 111 1.80 REMARK 500 O6 G B 1488 C2 G B 1536 1.80 REMARK 500 O2P C B 1675 CD2 TRP E 134 1.80 REMARK 500 C5* C B 1835 NZ LYS D 255 1.80 REMARK 500 O2P G B 1861 O2P C B 1862 1.80 REMARK 500 O2* U B 3122 NE2 GLN 7 162 1.80 REMARK 500 C1* G B 2474 CD ARG N 83 1.80 REMARK 500 O2* C B 2646 NE2 HIS H 111 1.80 REMARK 500 O1P C A 96 O PRO W 10 1.80 REMARK 500 O1P C A 97 CD LYS W 11 1.80 REMARK 500 N THR E 7 OG1 THR Q 3 1.80 REMARK 500 CG ASP L 85 CE2 PHE Q 83 1.80 REMARK 500 CG PHE L 91 CD ARG Q 79 1.80 REMARK 500 CD1 TYR N 66 CG2 ILE W 115 1.80 REMARK 500 O2* G B 338 CA HIS V 9 1.81 REMARK 500 P A B 512 CA GLN T 16 1.81 REMARK 500 O1P U B 597 O LYS M 28 1.81 REMARK 500 N9 G B 699 C TYR 4 5 1.81 REMARK 500 O6 G B 761 CD ARG T 111 1.81 REMARK 500 O2P U B 824 N HIS M 34 1.81 REMARK 500 C1* A B 891 C6 G B 893 1.81 REMARK 500 C2 U B 910 O4* A B 911 1.81 REMARK 500 C3* C B 915 OD2 ASP W 163 1.81 REMARK 500 O4* A B 1043 O VAL 6 23 1.81 REMARK 500 O2P G B 1045 CG2 VAL 6 16 1.81 REMARK 500 N2 G B 1338 CG2 ILE T 107 1.81 REMARK 500 C4* G B 1809 NH1 ARG D 157 1.81 REMARK 500 C1* A B 3866 C LYS 7 43 1.81 REMARK 500 O2* C B 1885 C GLY D 241 1.81 REMARK 500 P U B 2057 O PRO D 228 1.81 REMARK 500 O2* A B 2372 N LEU M 60 1.81 REMARK 500 C2 C B 2446 OE2 GLU N 117 1.81 REMARK 500 C1* U B 2859 CG ASP 2 53 1.81 REMARK 500 C6 U B 2859 CB ASP 2 53 1.81 REMARK 500 O2P U A 106 O GLU W 90 1.81 REMARK 500 NH2 ARG E 176 OD2 ASP Q 19 1.81 REMARK 500 CA SER L 87 O PRO Q 82 1.81 REMARK 500 O2* C B 37 OG1 THR F 45 1.82 REMARK 500 O1P A B 221 ND2 ASN M 67 1.82 REMARK 500 C4* G B 338 CE1 HIS V 9 1.82 REMARK 500 N1 C B 596 CG2 THR M 29 1.82 REMARK 500 N1 G B 699 CA TYR 4 5 1.82 REMARK 500 O5* U B 824 N GLY M 33 1.82 REMARK 500 C2* U B 910 O1P A B 911 1.82 REMARK 500 O2* U B 910 O2P A B 911 1.82 REMARK 500 O4 U B 1044 CG LYS 6 15 1.82 REMARK 500 P G B 1142 CB GLN K 107 1.82 REMARK 500 C5* A B 1416 C1* U B 1485 1.82 REMARK 500 O2P A B 1453 O4 U B 1454 1.82 REMARK 500 O2P C B 1675 CE3 TRP E 134 1.82 REMARK 500 O6 G B 1744 O MET Q 125 1.82 REMARK 500 C2 G B 1805 CD ARG D 52 1.82 REMARK 500 O1P C B 1808 CG ASN D 87 1.82 REMARK 500 N9 A B 3866 CA GLY 7 44 1.82 REMARK 500 C4* U B 3122 NE2 GLN 7 162 1.82 REMARK 500 O2* A B 2448 NH2 ARG N 57 1.82 REMARK 500 O4* G B 2474 CG ARG N 83 1.82 REMARK 500 C5 A B 2861 NZ LYS 2 40 1.82 REMARK 500 P C A 97 CE LYS W 11 1.82 REMARK 500 C5* U A 106 CD PRO W 91 1.82 REMARK 500 O ALA M 58 SD MET 5 9 1.82 REMARK 500 O5* G B 338 NE2 HIS V 9 1.83 REMARK 500 P G B 419 CD GLU 7 197 1.83 REMARK 500 O5* A B 490 N PRO V 4 1.83 REMARK 500 C3* G B 818 OG SER M 41 1.83 REMARK 500 C4* U B 916 O ASP W 163 1.83 REMARK 500 C6 G B 1142 O THR K 104 1.83 REMARK 500 C2 A B 1750 O2 U B 2675 1.83 REMARK 500 N3 G B 1803 O ARG D 46 1.83 REMARK 500 O2* C B 1829 C2* A B 1910 1.83 REMARK 500 N2 G B 2463 CG ARG N 120 1.83 REMARK 500 P A B 2577 N GLY D 236 1.83 REMARK 500 NH1 ARG E 176 CA ILE Q 16 1.83 REMARK 500 C THR L 88 CB PHE Q 81 1.83 REMARK 500 CD GLU L 132 OE1 GLU Q 75 1.83 REMARK 500 N1 G B 7 O2 C B 2870 1.84 REMARK 500 C2* A B 8 CG ASN K 36 1.84 REMARK 500 C5* A B 490 C ARG V 3 1.84 REMARK 500 O5* A B 512 N GLN T 16 1.84 REMARK 500 C5* A B 512 CB GLN T 16 1.84 REMARK 500 N7 G B 699 CD1 TYR 4 5 1.84 REMARK 500 C5 G B 699 CD1 TYR 4 5 1.84 REMARK 500 C4* C B 700 O ARG 4 3 1.84 REMARK 500 C4* A B 1040 NZ LYS N 125 1.84 REMARK 500 C6 G B 1041 C SER 6 5 1.84 REMARK 500 C5* U B 1044 CB VAL 6 16 1.84 REMARK 500 O4* C B 1135 CG GLN 6 36 1.84 REMARK 500 C4 G B 1142 N THR K 104 1.84 REMARK 500 C1* A B 1143 CD LYS K 111 1.84 REMARK 500 O2P A B 1746 CG2 VAL Q 124 1.84 REMARK 500 O4* G B 3867 CB LYS 7 42 1.84 REMARK 500 O3* C B 2056 CB PRO D 228 1.84 REMARK 500 C3* G B 2463 CD GLN N 47 1.84 REMARK 500 O4 U B 2470 O2* G B 2548 1.84 REMARK 500 C2* C B 2646 CE1 HIS H 111 1.84 REMARK 500 N3 G A 77 CD1 TYR W 24 1.84 REMARK 500 C5* G B 338 CE1 HIS V 9 1.85 REMARK 500 O4* A B 625 NE ARG F 38 1.85 REMARK 500 O1P A B 918 N LEU W 120 1.85 REMARK 500 O1P G B 965 SD MET N 18 1.85 REMARK 500 O3* A B 1040 NZ LYS N 125 1.85 REMARK 500 N3 U B 1141 O GLY K 105 1.85 REMARK 500 C3* A B 1437 O5* G B 1438 1.85 REMARK 500 N2 G B 1488 N3 C B 1535 1.85 REMARK 500 O1P C B 1808 ND2 ASN D 87 1.85 REMARK 500 O2* C B 1828 P G B 1912 1.85 REMARK 500 C2 C B 2008 CE2 TYR K 103 1.85 REMARK 500 P C B 2239 CZ ARG X 14 1.85 REMARK 500 O2 C B 2343 CD LYS X 66 1.85 REMARK 500 N3 U B 2859 O TYR 2 52 1.85 REMARK 500 O4* C B 2860 OD2 ASP 2 53 1.85 REMARK 500 C4* G A 93 NZ LYS N 23 1.85 REMARK 500 C5* U A 106 CG PRO W 91 1.85 REMARK 500 CZ ARG E 19 N SER Q 65 1.85 REMARK 500 CA PHE L 91 CZ ARG Q 79 1.85 REMARK 500 P G B 478 CZ ARG 4 34 1.86 REMARK 500 C2* A B 512 CG LYS T 15 1.86 REMARK 500 O5* C B 596 O THR M 29 1.86 REMARK 500 O1P U B 597 CA LYS M 28 1.86 REMARK 500 O2* G B 741 OG1 THR D 17 1.86 REMARK 500 N9 G B 888 OE1 GLU W 165 1.86 REMARK 500 O2* A B 891 C6 G B 893 1.86 REMARK 500 O4* G B 1070 CD2 LEU J 115 1.86 REMARK 500 C2* U B 1141 CA TYR K 106 1.86 REMARK 500 N2 G B 1142 C TYR K 103 1.86 REMARK 500 P C B 1673 NH1 ARG E 136 1.86 REMARK 500 C2* G B 1803 CG ARG D 46 1.86 REMARK 500 N3 G B 1805 NE ARG D 52 1.86 REMARK 500 O1P G B 1809 CD ARG D 63 1.86 REMARK 500 C8 A B 3866 N GLY 7 44 1.86 REMARK 500 N1 C B 2008 OH TYR K 103 1.86 REMARK 500 C5* G B 2029 NH1 ARG 2 19 1.86 REMARK 500 O3* C B 2725 CG2 VAL H 141 1.86 REMARK 500 C5 A B 2861 CE LYS 2 40 1.86 REMARK 500 N1 G A 92 OE2 GLU N 39 1.86 REMARK 500 O2P C A 97 CG LYS W 11 1.86 REMARK 500 NH1 ARG L 83 CE2 PHE Q 81 1.86 REMARK 500 O3* G B 164 C CYS 1 12 1.87 REMARK 500 C5* A B 512 C LYS T 15 1.87 REMARK 500 C8 G B 811 CZ ARG F 56 1.87 REMARK 500 C5 G B 811 CZ ARG F 56 1.87 REMARK 500 N3 A B 886 CG2 THR W 167 1.87 REMARK 500 N2 G B 887 CB GLU W 165 1.87 REMARK 500 C1* C B 915 CB ASP W 163 1.87 REMARK 500 O2* A B 1043 CA VAL 6 16 1.87 REMARK 500 P U B 1092 OD1 ASN J 125 1.87 REMARK 500 C1* U B 1141 CB TYR K 106 1.87 REMARK 500 N3 G B 1142 CA TYR K 103 1.87 REMARK 500 N2 G B 1147 O GLY K 133 1.87 REMARK 500 C6 G B 1401 O4 U B 1413 1.87 REMARK 500 N1 G B 1401 C4 U B 1413 1.87 REMARK 500 O1P C B 1674 CB TRP E 134 1.87 REMARK 500 O4* A B 2448 CG ARG N 57 1.87 REMARK 500 C2* C B 2462 CB ALA N 50 1.87 REMARK 500 C2* C B 2646 ND1 HIS H 111 1.87 REMARK 500 C2 G A 77 CG TYR W 24 1.87 REMARK 500 OE1 GLU E 174 NE2 HIS Q 20 1.87 REMARK 500 N LEU E 195 N GLN Q 2 1.87 REMARK 500 O2* A B 6 NE2 GLN K 161 1.88 REMARK 500 N6 A B 6 O4 U B 2871 1.88 REMARK 500 O4* G B 24 OD2 ASP T 98 1.88 REMARK 500 O3* G B 227 NE ARG M 55 1.88 REMARK 500 C4* A B 489 N SER V 5 1.88 REMARK 500 O2 C B 497 C ALA T 77 1.88 REMARK 500 O4 U B 575 O GLN S 79 1.88 REMARK 500 O2P C B 596 CB ALA M 30 1.88 REMARK 500 O6 G B 761 NH2 ARG T 111 1.88 REMARK 500 O5* A B 763 O ARG T 109 1.88 REMARK 500 C1* G B 888 CD GLU W 165 1.88 REMARK 500 C2 A B 891 N2 G B 893 1.88 REMARK 500 O5* A B 918 CB LEU W 120 1.88 REMARK 500 O2 U B 1010 N2 G B 1168 1.88 REMARK 500 O2* A B 1109 CD1 ILE J 7 1.88 REMARK 500 C5 G B 1142 C THR K 104 1.88 REMARK 500 O2P C B 1235 O ILE S 69 1.88 REMARK 500 C5 G B 1377 CG LYS 1 3 1.88 REMARK 500 O3* A B 1437 C5* G B 1438 1.88 REMARK 500 N3 A B 1796 CA SER D 51 1.88 REMARK 500 C4 A B 1796 CB SER D 51 1.88 REMARK 500 C5* G B 1809 NH1 ARG D 63 1.88 REMARK 500 O2P G B 1815 CG2 ILE D 54 1.88 REMARK 500 C5* U B 2057 CG PRO D 228 1.88 REMARK 500 C4* U B 2236 CB SER X 10 1.88 REMARK 500 C3* U B 2236 OG SER X 10 1.88 REMARK 500 O2* U B 2365 CD1 LEU X 37 1.88 REMARK 500 O4* A B 2600 CA GLY E 158 1.88 REMARK 500 C2* C B 2725 O GLN H 139 1.88 REMARK 500 C5 G A 77 CE1 TYR W 24 1.88 REMARK 500 O1P C B 186 NH1 ARG 4 33 1.89 REMARK 500 O2* G B 215 O4* A B 618 1.89 REMARK 500 O2P C B 574 CB GLN S 79 1.89 REMARK 500 O3* G B 818 OG SER M 41 1.89 REMARK 500 P U B 824 N GLY M 33 1.89 REMARK 500 N3 A B 891 N1 G B 893 1.89 REMARK 500 O2P A B 918 CD2 LEU W 120 1.89 REMARK 500 C2 G B 934 CG LYS X 25 1.89 REMARK 500 C1* G B 1042 N VAL 6 7 1.89 REMARK 500 C3* U B 1141 C TYR K 106 1.89 REMARK 500 O2* G B 1237 O GLY S 85 1.89 REMARK 500 C2 A B 1397 N4 C B 1418 1.89 REMARK 500 C2 A B 1437 O6 G B 1438 1.89 REMARK 500 N7 A B 3866 N GLY 7 44 1.89 REMARK 500 C2 A B 3875 CB LYS 7 43 1.89 REMARK 500 O1P U B 2009 O GLY K 105 1.89 REMARK 500 C1* U B 3122 CD GLN 7 162 1.89 REMARK 500 O2* G B 2310 CG2 ILE X 70 1.89 REMARK 500 O2 C B 2446 CD GLU N 117 1.89 REMARK 500 O4* G B 2463 OE1 GLN N 47 1.89 REMARK 500 O2* G B 2474 CG ARG N 83 1.89 REMARK 500 O3* A B 2600 CB HIS E 159 1.89 REMARK 500 CB ALA N 29 OD1 ASN W 119 1.89 REMARK 500 O2* A B 6 CD PRO K 163 1.90 REMARK 500 C5 C B 574 OE1 GLN S 79 1.90 REMARK 500 O1P U B 680 C PHE M 48 1.90 REMARK 500 N7 G B 811 NE ARG F 56 1.90 REMARK 500 O5* G B 818 CA SER M 41 1.90 REMARK 500 O2P U B 824 CA GLY M 33 1.90 REMARK 500 C3* A B 1043 O VAL 6 23 1.90 REMARK 500 C2* C B 1135 CG ARG 6 4 1.90 REMARK 500 O2 U B 1176 O2* C B 1198 1.90 REMARK 500 N7 G B 1377 CG LYS 1 3 1.90 REMARK 500 O3* A B 1416 O2* U B 1485 1.90 REMARK 500 N6 A B 1437 N2 G B 1439 1.90 REMARK 500 O2 C B 1828 O5* G B 1912 1.90 REMARK 500 C3* C B 1829 O2* A B 1910 1.90 REMARK 500 N1 A B 2355 OD1 ASP P 90 1.90 REMARK 500 C3* G B 2463 OE1 GLN N 47 1.90 REMARK 500 C1* G B 2474 CG ARG N 83 1.90 REMARK 500 O3* G B 2576 O GLY D 235 1.90 REMARK 500 O2* C B 2790 N HIS 2 43 1.90 REMARK 500 C5 U B 2859 C TYR 2 52 1.90 REMARK 500 O2* C B 2860 O PRO 2 34 1.90 REMARK 500 O2P C A 97 CD LYS W 11 1.90 REMARK 500 C1* A B 8 OD1 ASN K 36 1.91 REMARK 500 P G B 165 CA CYS 1 12 1.91 REMARK 500 O2P G B 227 NH1 ARG M 59 1.91 REMARK 500 C3* A B 489 CA SER V 5 1.91 REMARK 500 O1P C B 675 CG2 THR M 26 1.91 REMARK 500 P A B 681 CE1 PHE M 48 1.91 REMARK 500 C6 G B 761 CZ ARG T 111 1.91 REMARK 500 O1P A B 1043 O LYS 6 8 1.91 REMARK 500 C4 G B 1136 O ARG 6 4 1.91 REMARK 500 C5* U B 1141 N GLY K 108 1.91 REMARK 500 O1P G B 1149 CA ALA K 130 1.91 REMARK 500 O2P A B 1378 CE1 HIS 1 40 1.91 REMARK 500 O1P U B 2057 O PRO D 228 1.91 REMARK 500 O4* U B 2236 OG SER X 10 1.91 REMARK 500 P C B 2237 O SER X 10 1.91 REMARK 500 C2* C B 2254 NZ LYS N 86 1.91 REMARK 500 N1 C B 2334 CE LYS X 32 1.91 REMARK 500 O3* A B 2618 CZ ARG K 125 1.91 REMARK 500 N3 C B 2645 CE2 TYR H 109 1.91 REMARK 500 O2* C B 2768 N1 A B 2866 1.91 REMARK 500 O2 C B 2860 CB PRO 2 34 1.91 REMARK 500 O2* G B 2862 C LEU 2 30 1.91 REMARK 500 C2 G A 77 CD1 TYR W 24 1.91 REMARK 500 C3* C B 596 OG1 THR M 29 1.92 REMARK 500 C1* U B 917 CG LEU W 166 1.92 REMARK 500 O5* A B 918 CD1 LEU W 120 1.92 REMARK 500 N4 C B 1003 O6 G B 1173 1.92 REMARK 500 C6 G B 1142 N THR K 104 1.92 REMARK 500 O2P G B 1670 O6 G B 2797 1.92 REMARK 500 O2 C B 1786 CE LYS D 252 1.92 REMARK 500 C1* G B 1806 NH2 ARG D 52 1.92 REMARK 500 O4* C B 1829 C2* A B 1911 1.92 REMARK 500 P U B 2057 CA PRO D 228 1.92 REMARK 500 C1* G B 3123 NE2 GLN 7 166 1.92 REMARK 500 O4* C B 2334 CD LYS X 32 1.92 REMARK 500 O5* C B 2399 CB GLN 5 32 1.92 REMARK 500 N2 G B 2461 CG1 ILE N 53 1.92 REMARK 500 O2* G B 2463 CD GLN N 47 1.92 REMARK 500 N3 G A 77 OH TYR W 24 1.92 REMARK 500 P U A 106 CA PRO W 91 1.92 REMARK 500 CD1 PHE L 91 CD ARG Q 79 1.92 REMARK 500 NH1 ARG N 68 CG1 VAL W 117 1.92 REMARK 500 O1P G B 156 NE ARG 4 28 1.93 REMARK 500 C2* A B 176 CG2 ILE 1 31 1.93 REMARK 500 P A B 491 NH1 ARG V 3 1.93 REMARK 500 C2* A B 511 OE1 GLN T 16 1.93 REMARK 500 O4* A B 512 CB LYS T 15 1.93 REMARK 500 O1P A B 627 NH2 ARG F 100 1.93 REMARK 500 C2 A B 862 NE2 GLN Z 21 1.93 REMARK 500 C1* U B 916 O ASP W 163 1.93 REMARK 500 N3 G B 1041 N SER 6 6 1.93 REMARK 500 C3* G B 1045 NH2 ARG 6 18 1.93 REMARK 500 C2 U B 1141 N TYR K 106 1.93 REMARK 500 N3 A B 1143 OG1 THR K 101 1.93 REMARK 500 O4 U B 1485 N6 A B 1538 1.93 REMARK 500 N3 A B 3866 N ASP 7 45 1.93 REMARK 500 C1* C B 2008 CE2 TYR K 103 1.93 REMARK 500 C3* C B 2254 CD LYS N 86 1.93 REMARK 500 O5* A B 2448 CE1 HIS N 58 1.93 REMARK 500 O1P C B 2815 O GLN O 50 1.93 REMARK 500 N1 U B 2859 CG ASP 2 53 1.93 REMARK 500 N3 A A 78 CG2 VAL W 22 1.93 REMARK 500 C5* G A 93 NZ LYS N 23 1.93 REMARK 500 O THR L 88 CG PHE Q 81 1.93 REMARK 500 N PHE L 91 NH1 ARG Q 79 1.93 REMARK 500 CD PRO L 113 CA GLU Q 75 1.93 REMARK 500 OE2 GLU L 132 OE2 GLU Q 75 1.93 REMARK 500 N2 G B 7 O2 C B 2870 1.94 REMARK 500 O2* U B 317 O2P A B 1224 1.94 REMARK 500 O2P C B 332 CG2 THR F 130 1.94 REMARK 500 O1P C B 596 O THR M 29 1.94 REMARK 500 O5* C B 596 O LYS M 28 1.94 REMARK 500 C4* C B 686 CG1 VAL F 74 1.94 REMARK 500 C5* G B 742 OG1 THR D 18 1.94 REMARK 500 O4* G B 818 CB SER M 41 1.94 REMARK 500 O2* G B 872 C2 A B 2247 1.94 REMARK 500 O4* G B 888 OE1 GLU W 165 1.94 REMARK 500 C4* C B 915 OD1 ASP W 163 1.94 REMARK 500 O4* U B 917 CD2 LEU W 166 1.94 REMARK 500 C4* A B 1043 C VAL 6 23 1.94 REMARK 500 N3 G B 1142 C TYR K 103 1.94 REMARK 500 C3* A B 1453 O5* U B 1454 1.94 REMARK 500 O1P U B 1810 CG ARG D 157 1.94 REMARK 500 N3 A B 3866 N GLY 7 44 1.94 REMARK 500 O1P U B 2236 N SER X 10 1.94 REMARK 500 O2* A B 2333 CG1 VAL X 31 1.94 REMARK 500 O2P C B 2399 C GLN 5 32 1.94 REMARK 500 O1P G A 52 ND2 ASN P 63 1.94 REMARK 500 O5* U A 106 N PRO W 91 1.94 REMARK 500 C4* A B 8 ND2 ASN K 36 1.95 REMARK 500 O3* A B 8 OD1 ASN K 36 1.95 REMARK 500 O3* G B 215 O2* U B 617 1.95 REMARK 500 O3* C B 426 O2* C B 1862 1.95 REMARK 500 O5* A B 490 O ARG V 3 1.95 REMARK 500 O2P A B 491 CD ARG V 3 1.95 REMARK 500 N9 G B 887 O LEU W 166 1.95 REMARK 500 N2 G B 887 CA GLU W 165 1.95 REMARK 500 C5* C B 915 OD2 ASP W 163 1.95 REMARK 500 O1P A B 918 C LEU W 120 1.95 REMARK 500 O1P U B 1044 O CYS 6 14 1.95 REMARK 500 O5* G B 1136 CZ ARG 6 4 1.95 REMARK 500 C2 G B 1142 CA TYR K 103 1.95 REMARK 500 C5* G B 1237 CB ARG S 87 1.95 REMARK 500 O4* G B 1398 C2 A B 1416 1.95 REMARK 500 N1 G B 1401 N3 U B 1413 1.95 REMARK 500 O6 G B 1504 O ASP D 99 1.95 REMARK 500 C4* G B 3867 O LYS 7 42 1.95 REMARK 500 C5* G B 2218 CA ASP D 230 1.95 REMARK 500 C2* G B 2474 CD ARG N 83 1.95 REMARK 500 O2 C B 2725 OE1 GLN H 143 1.95 REMARK 500 C2 A B 2861 CG LYS 2 40 1.95 REMARK 500 O2* U A 106 CB TYR W 88 1.95 REMARK 500 CD1 LEU E 195 CG GLN Q 2 1.95 REMARK 500 CB PHE L 91 CD ARG Q 79 1.95 REMARK 500 O4* A B 8 OD1 ASN K 36 1.96 REMARK 500 C3* G B 227 NE ARG M 55 1.96 REMARK 500 O2P A B 490 O PRO V 4 1.96 REMARK 500 O5* A B 490 CA ARG V 3 1.96 REMARK 500 O2P A B 491 NH1 ARG V 3 1.96 REMARK 500 C1* A B 512 CG LYS T 15 1.96 REMARK 500 O4* U B 910 O2P A B 911 1.96 REMARK 500 O2* C B 915 C ASP W 163 1.96 REMARK 500 N3 C B 1003 N1 G B 1173 1.96 REMARK 500 O2P U B 1044 CG LYS 6 9 1.96 REMARK 500 N9 G B 1136 O ARG 6 4 1.96 REMARK 500 O2* U B 1141 O TYR K 106 1.96 REMARK 500 O1P G B 1142 CA GLY K 108 1.96 REMARK 500 C2 A B 1400 O6 G B 1414 1.96 REMARK 500 N4 C B 1581 CZ ARG D 28 1.96 REMARK 500 O2P C B 1674 CD1 TRP E 134 1.96 REMARK 500 C4* G B 1805 N ASN D 44 1.96 REMARK 500 C2* U B 3122 OE1 GLN 7 162 1.96 REMARK 500 O5* U B 2398 O HIS 5 31 1.96 REMARK 500 O2* A B 2861 O CYS 2 33 1.96 REMARK 500 C2* G A 77 ND2 ASN W 29 1.96 REMARK 500 C PHE L 91 CZ ARG Q 79 1.96 REMARK 500 O1P G B 147 CZ PHE 1 49 1.97 REMARK 500 C4* G B 338 ND1 HIS V 9 1.97 REMARK 500 C4* A B 490 CB ARG V 3 1.97 REMARK 500 O4* G B 505 CB ASN T 78 1.97 REMARK 500 P C B 574 NE2 GLN S 79 1.97 REMARK 500 C5* C B 869 CG HIS X 57 1.97 REMARK 500 C4* U B 910 P A B 911 1.97 REMARK 500 C8 G B 1236 CD1 ILE S 71 1.97 REMARK 500 C6 A B 1437 O6 G B 1438 1.97 REMARK 500 O2P C B 1673 NH1 ARG E 136 1.97 REMARK 500 C2* C B 1797 CD1 ILE D 49 1.97 REMARK 500 C5* U B 1817 N SER D 224 1.97 REMARK 500 C6 C B 2008 OH TYR K 103 1.97 REMARK 500 O2P G B 2218 C VAL D 229 1.97 REMARK 500 N7 G B 2229 CA GLY N 85 1.97 REMARK 500 O2* G B 2464 CA GLY N 123 1.97 REMARK 500 C4* C B 2748 CD LYS K 121 1.97 REMARK 500 CG PRO L 113 N GLY Q 76 1.97 REMARK 500 O2* U B 339 NE2 HIS V 77 1.98 REMARK 500 O3* A B 489 O ARG V 3 1.98 REMARK 500 C2 A B 511 CB LYS T 12 1.98 REMARK 500 P A B 512 C GLN T 16 1.98 REMARK 500 C1* U B 910 O5* A B 911 1.98 REMARK 500 P G B 1042 CD LYS 6 8 1.98 REMARK 500 O1P G B 1042 CD LYS 6 8 1.98 REMARK 500 N1 U B 1141 N TYR K 106 1.98 REMARK 500 C8 G B 1142 O TYR K 106 1.98 REMARK 500 O6 G B 1142 CA THR K 104 1.98 REMARK 500 N3 U B 1176 O2 C B 1198 1.98 REMARK 500 O6 G B 1483 N3 U B 1539 1.98 REMARK 500 N2 G B 1652 O4* U B 1752 1.98 REMARK 500 O1P G B 1670 N1 G B 2797 1.98 REMARK 500 O3* C B 1745 CG2 VAL Q 124 1.98 REMARK 500 O3* G B 1809 NH1 ARG D 157 1.98 REMARK 500 P G B 1815 CG2 ILE D 54 1.98 REMARK 500 C5 A B 2411 O ARG 1 28 1.98 REMARK 500 N2 G B 2760 NZ LYS K 149 1.98 REMARK 500 O1P U A 106 CD PRO W 91 1.98 REMARK 500 O2P U A 106 CD PRO W 91 1.98 REMARK 500 O2* C B 37 CB THR F 45 1.99 REMARK 500 O1P G B 122 O3* C B 1389 1.99 REMARK 500 P G B 318 CG ASN T 10 1.99 REMARK 500 O3* G B 338 CD2 HIS V 9 1.99 REMARK 500 C3* A B 489 N SER V 5 1.99 REMARK 500 O1P A B 490 N PRO V 4 1.99 REMARK 500 C5* A B 512 C GLN T 16 1.99 REMARK 500 C1* G B 658 O1P G B 2330 1.99 REMARK 500 O2P U B 824 O GLY M 31 1.99 REMARK 500 N3 U B 910 O4* A B 911 1.99 REMARK 500 O1P G B 965 CG MET N 18 1.99 REMARK 500 C8 G B 1042 CA SER 6 6 1.99 REMARK 500 C8 G B 1042 CB SER 6 6 1.99 REMARK 500 O1P U B 1092 OD1 ASN J 125 1.99 REMARK 500 P G B 1136 CZ ARG 6 4 1.99 REMARK 500 C5 G B 1136 O ARG 6 4 1.99 REMARK 500 O2P A B 1239 CG LYS S 73 1.99 REMARK 500 N1 G B 1488 N4 C B 1535 1.99 REMARK 500 O2* G B 2332 CD GLU X 29 1.99 REMARK 500 O2* G B 2464 N GLY N 123 1.99 REMARK 500 O4* G B 2505 O1P C B 2722 1.99 REMARK 500 O4* C B 2723 CD LYS H 150 1.99 REMARK 500 C4* G A 105 N VAL W 92 1.99 REMARK 500 CD PRO L 113 C GLU Q 75 1.99 REMARK 500 N1 G B 7 C2 C B 2870 2.00 REMARK 500 O2* C B 58 NH1 ARG Y 44 2.00 REMARK 500 O2P G B 115 O1P U B 118 2.00 REMARK 500 O1P G B 121 O2* C B 1388 2.00 REMARK 500 C2 A B 511 CA LYS T 12 2.00 REMARK 500 P A B 512 O GLN T 16 2.00 REMARK 500 O1P A B 512 N GLN T 17 2.00 REMARK 500 O1P A B 628 NH1 ARG F 100 2.00 REMARK 500 O4 U B 857 N3 U B 943 2.00 REMARK 500 O2* C B 915 CG ASP W 163 2.00 REMARK 500 O1P U B 916 CA ALA W 162 2.00 REMARK 500 O4 U B 969 N ASP N 21 2.00 REMARK 500 C2* C B 1134 O GLY 6 21 2.00 REMARK 500 N7 G B 1236 CG1 ILE S 71 2.00 REMARK 500 N2 G B 1414 N1 G B 1484 2.00 REMARK 500 N1 A B 1486 O4 U B 1537 2.00 REMARK 500 N1 U B 1804 CB ARG D 46 2.00 REMARK 500 O2P G B 1816 CD1 ILE D 54 2.00 REMARK 500 C1* A B 3865 CE LYS 7 43 2.00 REMARK 500 N1 C B 2008 CE2 TYR K 103 2.00 REMARK 500 C4* G B 2029 CZ ARG 2 19 2.00 REMARK 500 O5* U B 2057 CB PRO D 228 2.00 REMARK 500 C3* C B 2254 CE LYS N 86 2.00 REMARK 500 O2P G B 2255 CA LYS N 86 2.00 REMARK 500 O1P G B 2495 N GLY K 109 2.00 REMARK 500 O2* C B 2598 NZ LYS E 154 2.00 REMARK 500 C5* U B 2766 CB GLN E 64 2.00 REMARK 500 C5 U B 2859 CD1 TYR 2 52 2.00 REMARK 500 C5* C A 107 CA GLY W 89 2.00 REMARK 500 NH1 ARG E 19 CA LYS Q 64 2.00 REMARK 500 CD ARG E 176 CG ASP Q 19 2.00 REMARK 500 C ILE N 36 NH2 ARG W 74 2.00 REMARK 500 N1 G B 7 N3 C B 2870 2.01 REMARK 500 N2 G B 47 O1P U B 154 2.01 REMARK 500 P G B 166 CH2 TRP 1 36 2.01 REMARK 500 C3* G B 338 CG HIS V 9 2.01 REMARK 500 O1P C B 574 N TYR S 80 2.01 REMARK 500 C6 G B 699 CA TYR 4 5 2.01 REMARK 500 N3 G B 699 C THR 4 4 2.01 REMARK 500 C5* G B 704 NZ LYS D 218 2.01 REMARK 500 O2P A B 718 O6 G B 738 2.01 REMARK 500 O4* G B 742 OG1 THR D 18 2.01 REMARK 500 C6 G B 811 NH1 ARG F 56 2.01 REMARK 500 C5* U B 824 CA GLY M 33 2.01 REMARK 500 C2* A B 886 CB THR W 167 2.01 REMARK 500 O2* A B 886 CB THR W 167 2.01 REMARK 500 O4* U B 916 C ASP W 163 2.01 REMARK 500 O5* G B 1136 CD ARG 6 4 2.01 REMARK 500 C5 G B 1142 CA THR K 104 2.01 REMARK 500 N9 A B 1143 CE LYS K 111 2.01 REMARK 500 O2P G B 1236 CZ ARG S 87 2.01 REMARK 500 O4 U B 1325 CB LYS U 61 2.01 REMARK 500 N2 G B 1398 N7 A B 1416 2.01 REMARK 500 O5* A B 1746 OXT LYS Q 126 2.01 REMARK 500 C1* G B 1805 O ASN D 44 2.01 REMARK 500 N2 G B 1805 CB SER D 51 2.01 REMARK 500 O4* C B 1829 O2* A B 1911 2.01 REMARK 500 N1 A B 3875 CG LYS 7 43 2.01 REMARK 500 O3* A B 1996 O ILE T 116 2.01 REMARK 500 O3* U B 2342 O VAL X 38 2.01 REMARK 500 O3* A B 2448 NH1 ARG N 57 2.01 REMARK 500 C4* G B 2463 CD GLN N 47 2.01 REMARK 500 O4* C B 2725 CB GLN H 143 2.01 REMARK 500 O2* C B 2767 N3 A B 2785 2.01 REMARK 500 O3* G B 2814 CA GLN O 50 2.01 REMARK 500 O3* A B 8 CA ASN K 36 2.02 REMARK 500 O2* A B 137 CG2 THR U 36 2.02 REMARK 500 C5* U B 187 OG SER 4 26 2.02 REMARK 500 C4* G B 506 O ASN T 82 2.02 REMARK 500 N3 G B 658 O1P G B 2330 2.02 REMARK 500 C1* A B 886 OG1 THR W 167 2.02 REMARK 500 C4 A B 886 CG2 THR W 167 2.02 REMARK 500 O4* A B 891 C4 G B 893 2.02 REMARK 500 P A B 918 CA LEU W 120 2.02 REMARK 500 C4* G B 1042 CA VAL 6 7 2.02 REMARK 500 O3* G B 1042 O LYS 6 8 2.02 REMARK 500 P U B 1071 CE MET J 74 2.02 REMARK 500 O2* G B 1479 O2* G B 1543 2.02 REMARK 500 O4 U B 1513 O1P U B 1594 2.02 REMARK 500 O2 C B 1797 CG1 ILE D 49 2.02 REMARK 500 N2 G B 2007 CE1 TYR K 103 2.02 REMARK 500 O1P G B 2344 CA ARG X 41 2.02 REMARK 500 O2 C B 2364 CE1 PHE X 69 2.02 REMARK 500 N9 A B 2448 CD ARG N 57 2.02 REMARK 500 N6 A B 2543 O2* U B 2625 2.02 REMARK 500 O3* U B 2766 CD GLN E 64 2.02 REMARK 500 O2 U B 2859 CG ASP 2 53 2.02 REMARK 500 O2* A A 48 N ALA P 4 2.02 REMARK 500 C3* C A 96 CD LYS W 11 2.02 REMARK 500 OG SER L 87 CA PHE Q 83 2.02 REMARK 500 NE ARG L 119 ND2 ASN Q 43 2.02 REMARK 500 O1P G B 122 O2* C B 1389 2.03 REMARK 500 O1P G B 156 NH2 ARG 4 28 2.03 REMARK 500 O5* G B 227 CZ ARG M 59 2.03 REMARK 500 O4* U B 597 NZ LYS M 28 2.03 REMARK 500 C5* U B 696 CE1 HIS 4 16 2.03 REMARK 500 O4* C B 700 O ARG 4 3 2.03 REMARK 500 O2 U B 910 O4* A B 911 2.03 REMARK 500 P U B 916 CB ALA W 162 2.03 REMARK 500 O3* U B 917 CD1 LEU W 120 2.03 REMARK 500 O5* G B 1042 CD LYS 6 8 2.03 REMARK 500 C2 A B 1166 C8 G B 1168 2.03 REMARK 500 N6 A B 1175 N3 C B 1198 2.03 REMARK 500 C5 U B 1325 CE LYS U 61 2.03 REMARK 500 C6 G B 1402 C4 C B 1412 2.03 REMARK 500 N2 G B 1471 N6 A B 2681 2.03 REMARK 500 C4 G B 1803 CA GLY D 47 2.03 REMARK 500 O2* C B 1829 O2* A B 1910 2.03 REMARK 500 O2P C B 2240 CD ARG X 14 2.03 REMARK 500 O2* C B 2254 CD LYS N 86 2.03 REMARK 500 O2* U B 2615 NH2 ARG E 79 2.03 REMARK 500 N2 G B 2814 N GLY O 92 2.03 REMARK 500 C2 U B 2859 CG ASP 2 53 2.03 REMARK 500 O2 U B 2859 CB ASP 2 53 2.03 REMARK 500 C4 A B 2861 CD LYS 2 40 2.03 REMARK 500 C1* U A 106 CD1 TYR W 88 2.03 REMARK 500 O ALA M 58 CE MET 5 9 2.03 REMARK 500 C GLU N 106 CG2 VAL W 113 2.03 REMARK 500 O2* A B 8 O ASN K 36 2.04 REMARK 500 C3* G B 115 O2P A B 116 2.04 REMARK 500 O1P G B 419 CG GLU 7 197 2.04 REMARK 500 N3 G B 504 OD1 ASN T 78 2.04 REMARK 500 C3* C B 596 CB THR M 29 2.04 REMARK 500 C4* A B 625 NE ARG F 38 2.04 REMARK 500 C4* C B 755 NE2 HIS E 129 2.04 REMARK 500 O1P G B 965 CA MET N 18 2.04 REMARK 500 O5* G B 1000 C5* G B 1168 2.04 REMARK 500 O2P C B 1380 SD MET 1 1 2.04 REMARK 500 C2 A B 1437 C6 G B 1438 2.04 REMARK 500 C4* G B 1684 OE1 GLN L 5 2.04 REMARK 500 C2 A B 3866 CA ASP 7 45 2.04 REMARK 500 O2P C B 2240 CG ARG X 14 2.04 REMARK 500 O4* C B 2334 CE LYS X 32 2.04 REMARK 500 O2P C B 2399 N GLN 5 32 2.04 REMARK 500 C4* G B 2474 CG ARG N 83 2.04 REMARK 500 C8 G B 2578 OE1 GLU D 237 2.04 REMARK 500 N1 A B 2861 CE LYS 2 40 2.04 REMARK 500 N9 G A 77 OD1 ASN W 29 2.04 REMARK 500 O GLY E 194 O GLN Q 2 2.04 REMARK 500 O5* G B 166 CE2 TRP 1 36 2.05 REMARK 500 O3* C B 418 OE2 GLU 7 197 2.05 REMARK 500 O4* G B 506 CA ASN T 82 2.05 REMARK 500 O1P G B 508 CD LYS T 19 2.05 REMARK 500 C5* A B 627 CZ ARG F 100 2.05 REMARK 500 O1P A B 763 O ARG T 109 2.05 REMARK 500 O3* A B 1137 NH2 ARG 6 4 2.05 REMARK 500 O3* U B 1141 C GLN K 107 2.05 REMARK 500 N1 U B 1141 C GLY K 105 2.05 REMARK 500 O1P G B 1142 CA GLN K 107 2.05 REMARK 500 N2 G B 1142 CD1 TYR K 103 2.05 REMARK 500 P A B 1379 CD LYS 1 3 2.05 REMARK 500 O2* A B 1437 O4* G B 1438 2.05 REMARK 500 C4* A B 1746 C LYS Q 126 2.05 REMARK 500 N2 G B 1805 C SER D 51 2.05 REMARK 500 O3* G B 1809 CZ ARG D 157 2.05 REMARK 500 N4 C B 1828 O2 C B 1888 2.05 REMARK 500 C4* C B 1829 C5* A B 1911 2.05 REMARK 500 C1* A B 3876 OD2 ASP 7 40 2.05 REMARK 500 O3* G B 2029 CZ ARG 2 19 2.05 REMARK 500 C4* C B 2254 CD LYS N 86 2.05 REMARK 500 N6 A B 2265 CE LYS 3 38 2.05 REMARK 500 O1P U B 2365 NH2 ARG X 39 2.05 REMARK 500 O1P U B 2398 CA THR 5 34 2.05 REMARK 500 O3* C B 2494 N GLY K 109 2.05 REMARK 500 C6 G B 2578 OE1 GLU D 237 2.05 REMARK 500 C1* C B 2723 CD LYS H 150 2.05 REMARK 500 O2* G B 2724 CB GLN H 143 2.05 REMARK 500 C4* C B 2725 N GLN H 143 2.05 REMARK 500 O2 C B 2725 O GLN H 139 2.05 REMARK 500 O4* U B 2789 CD1 LEU 2 30 2.05 REMARK 500 O2* C B 2790 O SER 2 42 2.05 REMARK 500 O5* C A 97 CD LYS W 11 2.05 REMARK 500 CE1 TYR E 51 CG1 ILE Q 5 2.05 REMARK 500 O GLY E 194 N THR Q 3 2.05 REMARK 500 OD2 ASP L 85 CZ PHE Q 83 2.05 REMARK 500 OG SER L 87 C PRO Q 82 2.05 REMARK 500 N6 A B 5 O4 U B 2872 2.06 REMARK 500 O1P G B 15 NH2 ARG 2 20 2.06 REMARK 500 P G B 165 O CYS 1 12 2.06 REMARK 500 P U B 187 ND2 ASN 4 29 2.06 REMARK 500 O2P C B 574 CA GLN S 79 2.06 REMARK 500 O1P U B 597 N THR M 29 2.06 REMARK 500 C6 G B 761 NE ARG T 111 2.06 REMARK 500 C4* A B 891 C8 G B 893 2.06 REMARK 500 O1P C B 1380 CE MET 1 1 2.06 REMARK 500 N3 A B 1397 N4 C B 1418 2.06 REMARK 500 C5 G B 1402 N3 C B 1412 2.06 REMARK 500 P U B 2057 CB PRO D 228 2.06 REMARK 500 C1* C B 2767 NZ LYS E 61 2.06 REMARK 500 O4 U B 2789 NE2 HIS 2 43 2.06 REMARK 500 N2 G B 2847 NH1 ARG O 17 2.06 REMARK 500 C2 G A 92 N LYS N 23 2.06 REMARK 500 P U A 106 C GLU W 90 2.06 REMARK 500 CG PHE L 91 CG ARG Q 79 2.06 REMARK 500 C6 G B 115 N6 A B 117 2.07 REMARK 500 O4* G B 506 O ASN T 82 2.07 REMARK 500 O6 G B 508 NH1 ARG T 21 2.07 REMARK 500 N1 G B 699 C THR 4 4 2.07 REMARK 500 O1P G B 818 O ARG M 40 2.07 REMARK 500 C2 C B 1002 N2 G B 1174 2.07 REMARK 500 C2* A B 1043 O VAL 6 23 2.07 REMARK 500 P G B 1136 NH1 ARG 6 4 2.07 REMARK 500 C8 G B 1142 OG1 THR K 104 2.07 REMARK 500 O2P G B 1236 NH2 ARG S 87 2.07 REMARK 500 O6 G B 1401 N4 C B 1412 2.07 REMARK 500 O2 U B 1804 N ARG D 46 2.07 REMARK 500 O3* C B 1829 C2* A B 1910 2.07 REMARK 500 C5* G B 3867 CA LYS 7 42 2.07 REMARK 500 C3* U B 3122 CD GLN 7 162 2.07 REMARK 500 O2P G B 2218 CA ASP D 230 2.07 REMARK 500 O1P C B 2237 CA LYS X 11 2.07 REMARK 500 N2 G B 2602 CG HIS 2 22 2.07 REMARK 500 N2 G B 2724 NE2 GLN H 143 2.07 REMARK 500 N2 G B 2760 CG1 VAL K 150 2.07 REMARK 500 O4 U B 2859 N ASP 2 53 2.07 REMARK 500 C GLY E 6 OG1 THR Q 3 2.07 REMARK 500 O6 G B 7 N3 C B 2870 2.08 REMARK 500 N3 G B 505 OD1 ASN T 82 2.08 REMARK 500 C3* A B 512 N GLN T 16 2.08 REMARK 500 O1P C B 574 CA GLN S 79 2.08 REMARK 500 C2* C B 596 OG1 THR M 29 2.08 REMARK 500 C2 C B 596 CG2 THR M 29 2.08 REMARK 500 O2P A B 628 NE ARG F 97 2.08 REMARK 500 O2* C B 652 NH1 ARG 5 42 2.08 REMARK 500 C5 G B 699 CB TYR 4 5 2.08 REMARK 500 C5 G B 699 CG TYR 4 5 2.08 REMARK 500 C5 G B 699 C TYR 4 5 2.08 REMARK 500 O2P A B 706 ND1 HIS D 58 2.08 REMARK 500 O1P G B 742 O THR D 17 2.08 REMARK 500 P U B 916 OD1 ASP W 163 2.08 REMARK 500 O3* U B 917 C LEU W 120 2.08 REMARK 500 N3 G B 934 CD LYS X 25 2.08 REMARK 500 P G B 1042 CE LYS 6 8 2.08 REMARK 500 O1P U B 1071 CE MET J 74 2.08 REMARK 500 O2P G B 1142 CB GLN K 107 2.08 REMARK 500 C5 G B 1142 N THR K 104 2.08 REMARK 500 N2 G B 1142 CD2 TYR K 103 2.08 REMARK 500 N1 G B 1440 O2P A B 1588 2.08 REMARK 500 C4 U B 1513 O1P U B 1594 2.08 REMARK 500 C5 C B 1581 NH2 ARG D 28 2.08 REMARK 500 C5 A B 1796 OG SER D 51 2.08 REMARK 500 O1P G B 1995 O LYS T 118 2.08 REMARK 500 N3 G B 2007 CE1 TYR K 103 2.08 REMARK 500 C5 G B 2229 O GLY N 85 2.08 REMARK 500 O2* C B 2343 CB LYS X 66 2.08 REMARK 500 C2* A B 2448 NE ARG N 57 2.08 REMARK 500 O3* G B 2474 O ARG N 83 2.08 REMARK 500 N3 G B 2504 O2* A B 2721 2.08 REMARK 500 C5* C B 2725 C GLY H 142 2.08 REMARK 500 O2* C B 2725 O GLN H 139 2.08 REMARK 500 C2* U B 2859 CB ASP 2 53 2.08 REMARK 500 C6 U B 2859 CD1 TYR 2 52 2.08 REMARK 500 C4* G A 105 CA PRO W 91 2.08 REMARK 500 O2* U A 106 CG TYR W 88 2.08 REMARK 500 NH1 ARG E 176 CB ILE Q 16 2.08 REMARK 500 N3 C B 4 O6 G B 2873 2.09 REMARK 500 C3* A B 8 CB ASN K 36 2.09 REMARK 500 O3* A B 489 CA SER V 5 2.09 REMARK 500 O4* G B 543 OD1 ASN R 41 2.09 REMARK 500 N2 G B 676 O3* G B 950 2.09 REMARK 500 C8 G B 887 CG2 THR W 167 2.09 REMARK 500 O1P A B 918 CG LEU W 120 2.09 REMARK 500 C4* G B 965 CE MET N 18 2.09 REMARK 500 O1P C B 968 OE1 GLU N 92 2.09 REMARK 500 O2 C B 1003 N2 G B 1173 2.09 REMARK 500 C3* G B 1042 CA LYS 6 8 2.09 REMARK 500 O2* G B 1069 ND2 ASN J 116 2.09 REMARK 500 O1P G B 1508 C GLY D 100 2.09 REMARK 500 C6 C B 1673 NH2 ARG E 136 2.09 REMARK 500 O3* A B 1746 O LYS Q 126 2.09 REMARK 500 C1* U B 1804 CB ARG D 46 2.09 REMARK 500 O4* G B 1806 NH2 ARG D 52 2.09 REMARK 500 P U B 1817 C GLY D 223 2.09 REMARK 500 P U B 2219 O VAL D 229 2.09 REMARK 500 O3* U B 2236 C SER X 10 2.09 REMARK 500 C2* G B 2463 OE1 GLN N 47 2.09 REMARK 500 O3* G B 2474 SD MET N 84 2.09 REMARK 500 C4* G B 2495 O GLY K 108 2.09 REMARK 500 C5* G B 2523 N7 G B 2624 2.09 REMARK 500 N7 G B 2578 CD GLU D 237 2.09 REMARK 500 O6 G B 2578 CB GLU D 237 2.09 REMARK 500 O2 C B 2645 CE2 TYR H 109 2.09 REMARK 500 N3 G B 2724 CD GLN H 143 2.09 REMARK 500 O2* C B 2826 CD2 LEU O 60 2.09 REMARK 500 CA GLY L 86 CB ALA Q 84 2.09 REMARK 500 O LYS N 64 CD1 ILE W 115 2.09 REMARK 500 O2 U B 3 O2 C B 2875 2.10 REMARK 500 O1P G B 15 CZ ARG 2 20 2.10 REMARK 500 N1 A B 48 N7 A B 153 2.10 REMARK 500 O5* G B 424 O2P G B 2386 2.10 REMARK 500 O3* A B 490 NH2 ARG V 3 2.10 REMARK 500 O2P U B 824 C GLY M 33 2.10 REMARK 500 O2P C B 827 CA ARG S 83 2.10 REMARK 500 C6 G B 1041 CA SER 6 5 2.10 REMARK 500 O2* C B 1134 C GLY 6 21 2.10 REMARK 500 C8 G B 1136 O ARG 6 4 2.10 REMARK 500 O3* G B 1142 CE LYS K 111 2.10 REMARK 500 O1P G B 1149 CB ALA K 130 2.10 REMARK 500 C5 U B 1325 CG LYS U 61 2.10 REMARK 500 O2 C B 1786 NZ LYS D 252 2.10 REMARK 500 C5* C B 1795 CZ2 TRP D 250 2.10 REMARK 500 O4* G B 1806 NH1 ARG D 52 2.10 REMARK 500 O4* C B 1829 C3* A B 1911 2.10 REMARK 500 O2* C B 1829 C1* A B 1910 2.10 REMARK 500 C3* A B 3865 CE LYS 7 43 2.10 REMARK 500 C6 A B 3866 CA GLY 7 44 2.10 REMARK 500 O2* C B 1989 N3 A B 2798 2.10 REMARK 500 O1P C B 2399 N ASN 5 33 2.10 REMARK 500 C4* C B 2444 CG2 VAL 6 3 2.10 REMARK 500 C2* G B 2474 CG ARG N 83 2.10 REMARK 500 O2P A B 2577 CA GLY D 236 2.10 REMARK 500 O1P C B 2601 CG HIS E 159 2.10 REMARK 500 O5* G B 2619 CZ ARG K 125 2.10 REMARK 500 N1 U B 2859 N ASP 2 53 2.10 REMARK 500 OD1 ASP E 18 O ALA L 84 2.10 REMARK 500 OD1 ASP L 85 CE1 PHE Q 83 2.10 REMARK 500 CB SER L 87 N PHE Q 83 2.10 REMARK 500 CE1 PHE L 91 CG ARG Q 79 2.10 REMARK 500 O2 C B 4 N6 A B 2874 2.11 REMARK 500 O1P U B 9 CB ASN K 36 2.11 REMARK 500 O1P G B 17 NZ LYS 2 13 2.11 REMARK 500 O1P U B 18 C GLY R 26 2.11 REMARK 500 N2 G B 47 O2P U B 154 2.11 REMARK 500 O3* G B 69 O4* A B 70 2.11 REMARK 500 O3* A B 489 CB SER V 5 2.11 REMARK 500 C2 G B 505 OD1 ASN T 82 2.11 REMARK 500 C4* A B 512 O LYS T 15 2.11 REMARK 500 O6 G B 811 NH1 ARG F 56 2.11 REMARK 500 O1P U B 824 CA GLY M 33 2.11 REMARK 500 O1P C B 869 ND1 HIS X 57 2.11 REMARK 500 O4* C B 869 CB HIS X 57 2.11 REMARK 500 C2 G B 887 C GLU W 165 2.11 REMARK 500 O4* C B 915 CG ASP W 163 2.11 REMARK 500 C2* C B 915 CA ASP W 163 2.11 REMARK 500 O4* G B 1042 CA SER 6 6 2.11 REMARK 500 N3 A B 1081 O LYS J 9 2.11 REMARK 500 O4* G B 1142 CB LEU K 110 2.11 REMARK 500 C4* A B 1416 O4* U B 1485 2.11 REMARK 500 C5* G B 1809 CZ ARG D 63 2.11 REMARK 500 O1P G B 1815 CA ILE D 54 2.11 REMARK 500 C4* C B 1829 O5* A B 1911 2.11 REMARK 500 O3* C B 1885 CA GLY D 241 2.11 REMARK 500 N3 G B 2032 CE MET E 156 2.11 REMARK 500 N1 A B 2265 NZ LYS 3 38 2.11 REMARK 500 N3 G B 2463 NH2 ARG N 120 2.11 REMARK 500 N3 G B 2602 NE2 HIS 2 22 2.11 REMARK 500 O4* A B 2714 C SER E 205 2.11 REMARK 500 O4* C B 2748 CB LYS K 121 2.11 REMARK 500 O4* U B 2856 NH2 ARG O 45 2.11 REMARK 500 C1* U B 2859 OD1 ASP 2 53 2.11 REMARK 500 C2 U B 2859 OD2 ASP 2 53 2.11 REMARK 500 C6 U B 2859 N ASP 2 53 2.11 REMARK 500 C1* G A 92 O ASP N 21 2.11 REMARK 500 C4* C A 107 CA GLY W 89 2.11 REMARK 500 OE1 GLN E 13 OE2 GLU Q 17 2.11 REMARK 500 O ASP L 85 N ALA Q 84 2.11 REMARK 500 OD2 ASP L 92 NH2 ARG Q 79 2.11 REMARK 500 CG GLU L 132 OE2 GLU Q 75 2.11 REMARK 500 C5* G B 7 NE2 GLN K 161 2.12 REMARK 500 N2 G B 67 O4* A B 73 2.12 REMARK 500 O4 U B 331 CD1 ILE F 134 2.12 REMARK 500 O1P G B 419 O GLU 7 197 2.12 REMARK 500 O3* A B 477 NH2 ARG 4 34 2.12 REMARK 500 C5* A B 489 N SER V 5 2.12 REMARK 500 O3* A B 489 O PRO V 4 2.12 REMARK 500 O1P A B 512 CA GLN T 16 2.12 REMARK 500 O5* A B 512 CB GLN T 16 2.12 REMARK 500 C4* A B 512 CB LYS T 15 2.12 REMARK 500 N7 A B 628 NH1 ARG F 97 2.12 REMARK 500 O6 G B 637 NH2 ARG 5 64 2.12 REMARK 500 O2* G B 676 O2* G B 950 2.12 REMARK 500 O1P A B 683 NZ LYS M 45 2.12 REMARK 500 O2* C B 686 NH2 ARG F 68 2.12 REMARK 500 C1* G B 887 O LEU W 166 2.12 REMARK 500 O2* A B 1043 O VAL 6 23 2.12 REMARK 500 O2* G B 1237 C GLY S 85 2.12 REMARK 500 O3* G B 1374 OE2 GLU 1 53 2.12 REMARK 500 O2P A B 1378 ND1 HIS 1 40 2.12 REMARK 500 O3* A B 1379 CE MET 1 1 2.12 REMARK 500 C2 A B 1884 NE ARG D 244 2.12 REMARK 500 N1 C B 2008 CZ TYR K 103 2.12 REMARK 500 C6 A B 2265 CE LYS 3 38 2.12 REMARK 500 C2 A B 2411 O ARG 1 28 2.12 REMARK 500 C4* A B 2448 ND1 HIS N 58 2.12 REMARK 500 O6 G B 2461 CA VAL N 54 2.12 REMARK 500 O6 G B 2578 OE2 GLU D 237 2.12 REMARK 500 C2* U B 2599 O ALA E 157 2.12 REMARK 500 C5* C B 2725 N GLN H 143 2.12 REMARK 500 C4* C B 2790 CB SER 2 42 2.12 REMARK 500 CB GLU N 106 CG2 VAL W 113 2.12 REMARK 500 O2P U B 9 ND2 ASN K 36 2.13 REMARK 500 O2* G B 106 O2 C B 358 2.13 REMARK 500 N7 G B 115 N7 A B 117 2.13 REMARK 500 O4* C B 497 CD1 LEU T 80 2.13 REMARK 500 O5* G B 506 C ASN T 82 2.13 REMARK 500 C2* A B 511 CG GLN T 16 2.13 REMARK 500 C2 A B 511 O LYS T 12 2.13 REMARK 500 O4* A B 512 N GLN T 16 2.13 REMARK 500 O2* G B 528 O ALA T 95 2.13 REMARK 500 C5* U B 529 NH2 ARG T 39 2.13 REMARK 500 C5* C B 533 O2* C B 550 2.13 REMARK 500 C5* U B 597 CD LYS M 28 2.13 REMARK 500 P C B 700 CB LYS 4 2 2.13 REMARK 500 O5* C B 869 ND1 HIS X 57 2.13 REMARK 500 N3 A B 886 OG1 THR W 167 2.13 REMARK 500 N1 G B 887 O GLU W 165 2.13 REMARK 500 N1 A B 891 O2 C B 909 2.13 REMARK 500 C2 A B 891 C2 C B 909 2.13 REMARK 500 C4* G B 1045 NH2 ARG 6 18 2.13 REMARK 500 O1P A B 1379 CG LYS 1 3 2.13 REMARK 500 C5* A B 1416 O4* U B 1485 2.13 REMARK 500 N1 G B 1488 C4 C B 1535 2.13 REMARK 500 C2 U B 1490 O2P C B 1535 2.13 REMARK 500 O1P C B 1581 OG1 THR D 25 2.13 REMARK 500 C2 G B 1805 NE ARG D 52 2.13 REMARK 500 O2* C B 1828 O3* A B 1911 2.13 REMARK 500 C5* C B 1829 O5* A B 1911 2.13 REMARK 500 N7 A B 3866 C LYS 7 43 2.13 REMARK 500 O2P C B 2399 CG GLN 5 32 2.13 REMARK 500 O2* G B 2463 OE1 GLN N 47 2.13 REMARK 500 O1P C B 2475 SD MET N 84 2.13 REMARK 500 C2 C B 2645 CE2 TYR H 109 2.13 REMARK 500 N9 G A 77 CE1 TYR W 24 2.13 REMARK 500 O GLY L 86 N ALA Q 84 2.13 REMARK 500 CE2 TYR W 84 NE ARG W 128 2.13 REMARK 500 C2* G B 164 SG CYS 1 12 2.14 REMARK 500 O2P G B 227 CZ ARG M 59 2.14 REMARK 500 C5* C B 418 CE MET 7 1 2.14 REMARK 500 C2 G B 505 ND2 ASN T 82 2.14 REMARK 500 C6 C B 574 OE1 GLN S 79 2.14 REMARK 500 P U B 680 O PHE M 48 2.14 REMARK 500 C6 G B 761 CD ARG T 111 2.14 REMARK 500 N4 C B 1002 O6 G B 1174 2.14 REMARK 500 C3* G B 1050 NZ LYS W 37 2.14 REMARK 500 O3* C B 1135 CG ARG 6 4 2.14 REMARK 500 O2* U B 1141 N GLN K 107 2.14 REMARK 500 O5* G B 1142 C GLN K 107 2.14 REMARK 500 N1 G B 1401 N3 C B 1412 2.14 REMARK 500 O5* A B 1453 C5 U B 1454 2.14 REMARK 500 O6 G B 2461 CB VAL N 54 2.14 REMARK 500 N9 G B 2464 NH1 ARG N 120 2.14 REMARK 500 C1* U B 2470 O1P G B 2549 2.14 REMARK 500 N2 G B 2602 ND1 HIS 2 22 2.14 REMARK 500 N2 G B 2739 CG GLN H 139 2.14 REMARK 500 N3 A B 2861 NZ LYS 2 40 2.14 REMARK 500 N3 G A 77 CD2 TYR W 24 2.14 REMARK 500 O1P U A 95 CD1 LEU W 14 2.14 REMARK 500 N PHE L 91 CD ARG Q 79 2.14 REMARK 500 CG GLU N 106 O ASP W 114 2.14 REMARK 500 N2 G B 2 N3 C B 2876 2.15 REMARK 500 C6 A B 51 C2 A B 116 2.15 REMARK 500 O4* G B 107 O2* C B 358 2.15 REMARK 500 O1P G B 147 CE1 PHE 1 49 2.15 REMARK 500 C5* G B 156 CZ ARG 4 28 2.15 REMARK 500 C2* G B 338 CD2 HIS V 9 2.15 REMARK 500 O1P G B 419 CD GLU 7 197 2.15 REMARK 500 O5* A B 512 C GLN T 16 2.15 REMARK 500 O2P A B 513 O LYS T 15 2.15 REMARK 500 C8 G B 687 CZ ARG F 68 2.15 REMARK 500 O4 U B 857 O4 U B 943 2.15 REMARK 500 O3* A B 891 C5 G B 893 2.15 REMARK 500 C2* A B 891 C5 G B 893 2.15 REMARK 500 O2* C B 915 N ASP W 163 2.15 REMARK 500 O4* U B 1141 N GLN K 107 2.15 REMARK 500 C5 U B 1325 CD LYS U 61 2.15 REMARK 500 N3 A B 1397 C4 C B 1418 2.15 REMARK 500 C6 A B 1486 O4 U B 1537 2.15 REMARK 500 N1 G B 1488 N3 C B 1535 2.15 REMARK 500 O1P A B 1507 CB ASP D 99 2.15 REMARK 500 C5* G B 1809 NH1 ARG D 157 2.15 REMARK 500 O2* G B 2309 CG ASN X 71 2.15 REMARK 500 O3* A B 2397 OG1 THR 5 34 2.15 REMARK 500 O2* C B 2671 C1* U B 2822 2.15 REMARK 500 C ASN E 17 CD1 LEU Q 87 2.15 REMARK 500 CB THR W 48 O ILE W 130 2.15 REMARK 500 C2 A B 5 N3 U B 2872 2.16 REMARK 500 O6 G B 7 C4 C B 2870 2.16 REMARK 500 C5* A B 8 ND2 ASN K 36 2.16 REMARK 500 C5* A B 489 CA SER V 5 2.16 REMARK 500 C4 G B 505 CG ASN T 82 2.16 REMARK 500 C2* A B 511 CB GLN T 16 2.16 REMARK 500 P A B 513 O LYS T 15 2.16 REMARK 500 O2P C B 596 O THR M 29 2.16 REMARK 500 C4* A B 625 CD ARG F 38 2.16 REMARK 500 O1P G B 678 CE LYS M 38 2.16 REMARK 500 O6 G B 699 CB TYR 4 5 2.16 REMARK 500 C5* G B 965 SD MET N 18 2.16 REMARK 500 O5* C B 968 OE2 GLU N 92 2.16 REMARK 500 C4 C B 1002 N1 G B 1174 2.16 REMARK 500 O2P A B 1043 N LYS 6 9 2.16 REMARK 500 N6 A B 1139 O1P G B 2469 2.16 REMARK 500 O4* C B 1797 CG2 ILE D 49 2.16 REMARK 500 P G B 1815 CB ILE D 54 2.16 REMARK 500 O4* G B 1831 O4* A B 1910 2.16 REMARK 500 C2* A B 3865 CE LYS 7 43 2.16 REMARK 500 P G B 3867 O LYS 7 42 2.16 REMARK 500 O5* C B 2239 NH1 ARG X 14 2.16 REMARK 500 O3* G B 2463 NE2 GLN N 47 2.16 REMARK 500 P C B 2475 SD MET N 84 2.16 REMARK 500 C1* C B 2748 CD LYS K 121 2.16 REMARK 500 O4 U B 2789 CD2 HIS 2 43 2.16 REMARK 500 O4* A B 2795 CD LYS O 5 2.16 REMARK 500 C4 A B 2861 NZ LYS 2 40 2.16 REMARK 500 C2* G A 77 OD1 ASN W 29 2.16 REMARK 500 O2* G A 77 CG ASN W 29 2.16 REMARK 500 NH1 ARG E 19 CB LYS Q 64 2.16 REMARK 500 O THR L 88 CD2 PHE Q 81 2.16 REMARK 500 C ARG L 90 NH1 ARG Q 79 2.16 REMARK 500 O ARG L 90 NH1 ARG Q 79 2.16 REMARK 500 CD GLU M 50 CE MET 5 58 2.16 REMARK 500 CA GLY N 63 CD2 LEU W 112 2.16 REMARK 500 P G B 166 CZ3 TRP 1 36 2.17 REMARK 500 O2P G B 334 NH1 ARG F 162 2.17 REMARK 500 C3* C B 418 CD GLU 7 197 2.17 REMARK 500 N3 C B 429 N1 G B 2386 2.17 REMARK 500 O3* A B 538 O1P U B 566 2.17 REMARK 500 O2* A B 542 CG ASN R 41 2.17 REMARK 500 C4 G B 543 N2 G B 570 2.17 REMARK 500 O1P G B 742 O THR D 18 2.17 REMARK 500 O6 G B 761 NH1 ARG T 111 2.17 REMARK 500 N1 G B 934 CD LYS X 25 2.17 REMARK 500 N7 G B 1136 O ARG 6 4 2.17 REMARK 500 C4 G B 1136 OG SER 6 5 2.17 REMARK 500 C2 U B 1141 CD1 TYR K 106 2.17 REMARK 500 O1P U B 1197 NH1 ARG Z 26 2.17 REMARK 500 O1P A B 1349 NE ARG U 64 2.17 REMARK 500 O1P G B 1381 CG LYS 4 25 2.17 REMARK 500 N1 G B 1398 N6 A B 1416 2.17 REMARK 500 N2 G B 1401 O2 C B 1412 2.17 REMARK 500 N2 G B 1414 N2 G B 1484 2.17 REMARK 500 C2* A B 1437 C8 G B 1438 2.17 REMARK 500 N7 G B 1488 O6 G B 1533 2.17 REMARK 500 C6 G B 1504 O ASP D 99 2.17 REMARK 500 O2* C B 1829 N3 A B 1910 2.17 REMARK 500 N7 A B 3866 CA GLY 7 44 2.17 REMARK 500 C4* G B 3867 CB LYS 7 42 2.17 REMARK 500 O2* C B 2462 CA ALA N 50 2.17 REMARK 500 O2 C B 2462 CG1 VAL N 54 2.17 REMARK 500 O1P G B 2463 ND2 ASN N 46 2.17 REMARK 500 O4* A B 2714 OXT SER E 205 2.17 REMARK 500 O4* C B 2725 N GLN H 143 2.17 REMARK 500 C4* U B 2766 O LYS E 61 2.17 REMARK 500 O2* U B 2766 C LYS E 61 2.17 REMARK 500 O2 U B 2789 C LEU 2 41 2.17 REMARK 500 C2 U B 2859 C ASP 2 53 2.17 REMARK 500 C4 U B 2859 O TYR 2 52 2.17 REMARK 500 C3* G A 105 C PRO W 91 2.17 REMARK 500 CD ARG E 176 OD1 ASP Q 19 2.17 REMARK 500 CG LEU E 195 N GLN Q 2 2.17 REMARK 500 CG TYR W 84 CZ ARG W 128 2.17 REMARK 500 O2* G B 238 O1P G B 620 2.18 REMARK 500 O6 G B 413 CD1 PHE 1 63 2.18 REMARK 500 C5* A B 490 O ARG V 3 2.18 REMARK 500 O3* A B 490 CD ARG V 3 2.18 REMARK 500 O3* A B 512 N LYS T 15 2.18 REMARK 500 C2 U B 544 OH TYR R 45 2.18 REMARK 500 O2 C B 686 NH1 ARG F 68 2.18 REMARK 500 C2 U B 910 O1P A B 911 2.18 REMARK 500 O2 U B 916 CA LEU W 166 2.18 REMARK 500 N1 A B 971 NH1 ARG N 83 2.18 REMARK 500 O2 U B 1010 C2 G B 1168 2.18 REMARK 500 C3* A B 1040 NZ LYS N 125 2.18 REMARK 500 O5* A B 1043 CG2 VAL 6 23 2.18 REMARK 500 P U B 1044 CG1 VAL 6 16 2.18 REMARK 500 C4* G B 1050 CE LYS W 37 2.18 REMARK 500 N7 G B 1142 N TYR K 106 2.18 REMARK 500 C2 G B 1401 N3 U B 1413 2.18 REMARK 500 O1P G B 1508 CA GLY D 100 2.18 REMARK 500 C5* G B 1805 CA ARG D 43 2.18 REMARK 500 O2* C B 1885 CA ALA D 242 2.18 REMARK 500 C4* U B 3122 CD GLN 7 162 2.18 REMARK 500 O1P C B 2343 C ARG X 39 2.18 REMARK 500 O2 C B 2343 CE LYS X 66 2.18 REMARK 500 O1P G B 2463 O ASN N 46 2.18 REMARK 500 O5* G B 2495 C GLY K 108 2.18 REMARK 500 C5* G B 2619 NH2 ARG K 125 2.18 REMARK 500 C2* C B 2725 C GLN H 139 2.18 REMARK 500 C2 C A 44 O THR G 90 2.18 REMARK 500 N2 G A 92 CB LYS N 23 2.18 REMARK 500 C4 G A 92 CA ALA N 22 2.18 REMARK 500 O3* G A 105 CD PRO W 91 2.18 REMARK 500 OD2 ASP E 18 CA ASP L 85 2.18 REMARK 500 O GLY L 86 C PHE Q 83 2.18 REMARK 500 CB GLU L 132 OE1 GLU Q 75 2.18 REMARK 500 N6 A B 6 N4 C B 2870 2.19 REMARK 500 O5* A B 8 ND2 ASN K 36 2.19 REMARK 500 O6 G B 115 C6 A B 117 2.19 REMARK 500 C5* U B 177 CG1 ILE 1 31 2.19 REMARK 500 C4* A B 489 O PRO V 4 2.19 REMARK 500 O1P A B 491 CZ ARG V 3 2.19 REMARK 500 O4* A B 512 C LYS T 15 2.19 REMARK 500 C2* A B 512 C LYS T 15 2.19 REMARK 500 O2 U B 674 O GLY M 22 2.19 REMARK 500 N1 G B 699 N TYR 4 5 2.19 REMARK 500 O4 U B 873 C5 A B 2247 2.19 REMARK 500 C1* A B 891 C4 G B 893 2.19 REMARK 500 C1* C B 915 OD2 ASP W 163 2.19 REMARK 500 C4* U B 1044 CG1 VAL 6 16 2.19 REMARK 500 C5 U B 1044 CA LYS 6 15 2.19 REMARK 500 C4* C B 1091 CB ASN J 125 2.19 REMARK 500 O2* G B 1237 CA HIS S 86 2.19 REMARK 500 C3* C B 1411 O2P C B 1412 2.19 REMARK 500 C2* C B 1797 CG1 ILE D 49 2.19 REMARK 500 C2* G B 1805 NH1 ARG D 52 2.19 REMARK 500 C2 G B 1805 CB SER D 51 2.19 REMARK 500 O5* U B 1817 C GLY D 223 2.19 REMARK 500 O5* U B 1817 N SER D 224 2.19 REMARK 500 C1* C B 1829 C1* A B 1911 2.19 REMARK 500 N1 U B 3122 NE2 GLN 7 162 2.19 REMARK 500 N1 G B 2602 NE2 HIS 2 22 2.19 REMARK 500 O2* G B 2760 CG LYS K 149 2.19 REMARK 500 O2 U B 2789 CA SER 2 42 2.19 REMARK 500 O1P G B 2793 NZ LYS O 42 2.19 REMARK 500 O1P G B 2797 C GLY E 110 2.19 REMARK 500 O1P C B 2815 C GLN O 50 2.19 REMARK 500 N3 A B 2861 CG LYS 2 40 2.19 REMARK 500 C8 A A 59 OG SER G 24 2.19 REMARK 500 O2* G A 105 CG PRO W 91 2.19 REMARK 500 O1P U A 106 CG PRO W 91 2.19 REMARK 500 N ASP E 18 CD1 LEU Q 87 2.19 REMARK 500 CG LEU E 195 CG GLN Q 2 2.19 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 N2 G A 121 NH2 ARG 7 122 6555 0.79 REMARK 500 N2 G A 121 CZ ARG 7 122 6555 1.38 REMARK 500 N2 G A 121 NH1 ARG 7 122 6555 1.85 REMARK 500 C2 G A 121 NH1 ARG 7 122 6555 1.96 REMARK 500 N3 G A 121 NH1 ARG 7 122 6555 2.00 REMARK 500 C2 G A 121 NH2 ARG 7 122 6555 2.12 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PRO D 8 CB PRO D 8 CG 0.072 REMARK 500 ARG D 43 CB ARG D 43 CG 0.045 REMARK 500 PRO D 178 CG PRO D 178 CD 0.045 REMARK 500 ARG D 222 CG ARG D 222 CD -0.054 REMARK 500 PRO D 249 CG PRO D 249 CD 0.067 REMARK 500 PRO E 22 CG PRO E 22 CD 0.059 REMARK 500 PRO E 53 CB PRO E 53 CG 0.086 REMARK 500 PRO E 53 CG PRO E 53 CD 0.051 REMARK 500 LYS E 61 CB LYS E 61 CG -0.046 REMARK 500 MET E 117 SD MET E 117 CE -0.046 REMARK 500 PRO E 147 CB PRO E 147 CG 0.080 REMARK 500 PRO G 139 CG PRO G 139 CD 0.051 REMARK 500 PRO H 36 CB PRO H 36 CG 0.050 REMARK 500 PRO H 36 CG PRO H 36 CD 0.052 REMARK 500 PRO H 126 CG PRO H 126 CD 0.048 REMARK 500 PRO I 31 CB PRO I 31 CG 0.049 REMARK 500 LYS J 9 CD LYS J 9 CE -0.044 REMARK 500 LYS J 9 CE LYS J 9 NZ -0.062 REMARK 500 PRO K 123 CB PRO K 123 CG 0.049 REMARK 500 PRO K 123 CG PRO K 123 CD 0.053 REMARK 500 PRO K 157 CB PRO K 157 CG 0.086 REMARK 500 PRO K 157 CG PRO K 157 CD 0.057 REMARK 500 MET N 18 SD MET N 18 CE -0.047 REMARK 500 ARG N 83 CB ARG N 83 CG -0.045 REMARK 500 ARG N 83 CG ARG N 83 CD -0.070 REMARK 500 LYS N 86 CB LYS N 86 CG -0.051 REMARK 500 TYR R 45 CE2 TYR R 45 CD2 -0.050 REMARK 500 PRO T 61 CG PRO T 61 CD 0.049 REMARK 500 PRO T 67 CB PRO T 67 CG 0.080 REMARK 500 PRO T 67 CG PRO T 67 CD 0.054 REMARK 500 MET U 56 SD MET U 56 CE -0.055 REMARK 500 PRO V 65 CB PRO V 65 CG 0.045 REMARK 500 TYR W 88 C GLY W 89 N -0.196 REMARK 500 PRO W 97 CB PRO W 97 CG -0.046 REMARK 500 PRO W 125 CB PRO W 125 CG 0.048 REMARK 500 PRO W 125 CG PRO W 125 CD 0.051 REMARK 500 PRO W 155 CB PRO W 155 CG 0.052 REMARK 500 PRO W 155 CG PRO W 155 CD 0.051 REMARK 500 LYS X 32 CG LYS X 32 CD -0.046 REMARK 500 VAL Y 56 CA VAL Y 56 CB 0.050 REMARK 500 LYS 1 3 CB LYS 1 3 CG -0.077 REMARK 500 LYS 1 3 CG LYS 1 3 CD -0.067 REMARK 500 LYS 1 3 CD LYS 1 3 CE -0.069 REMARK 500 PHE 3 20 CB PHE 3 20 CG -0.049 REMARK 500 PHE 3 20 CD1 PHE 3 20 CE1 -0.048 REMARK 500 PRO 5 63 CB PRO 5 63 CG 0.050 REMARK 500 PRO 5 63 CG PRO 5 63 CD 0.049 REMARK 500 LYS 7 42 CA LYS 7 42 C 0.135 REMARK 500 LYS 7 43 N LYS 7 43 CA 0.093 REMARK 500 ASP 7 45 N ASP 7 45 CA -0.076 REMARK 500 LEU 7 46 N LEU 7 46 CA 0.092 REMARK 500 LEU 7 46 CB LEU 7 46 CG 0.055 REMARK 500 LYS 7 195 CB LYS 7 195 CG -0.048 REMARK 500 THR 7 198 CA THR 7 198 C 0.132 REMARK 500 ASN 7 199 N ASN 7 199 CA 0.055 REMARK 500 ASN 7 199 CA ASN 7 199 CB 0.077 REMARK 500 ASN 7 199 CA ASN 7 199 C 0.243 REMARK 500 LEU 7 200 N LEU 7 200 CA 0.071 REMARK 500 LEU 7 200 CA LEU 7 200 C 0.065 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR D 6 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 PRO D 8 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 LYS D 27 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG D 46 N - CA - C ANGL. DEV. = 12.5 DEGREES REMARK 500 GLY D 57 N - CA - C ANGL. DEV. = 10.5 DEGREES REMARK 500 LEU D 61 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 ASP D 71 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 VAL D 75 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 GLU D 83 N - CA - C ANGL. DEV. = 9.6 DEGREES REMARK 500 ASP D 85 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 ARG D 91 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 LEU D 95 CA - CB - CG ANGL. DEV. = 9.4 DEGREES REMARK 500 TYR D 104 N - CA - C ANGL. DEV. = 11.6 DEGREES REMARK 500 GLY D 114 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 GLY D 120 N - CA - C ANGL. DEV. = 12.4 DEGREES REMARK 500 GLU D 122 N - CA - C ANGL. DEV. =-11.6 DEGREES REMARK 500 ASN D 129 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 LEU D 133 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ARG D 134 N - CA - C ANGL. DEV. =-11.5 DEGREES REMARK 500 ARG D 157 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 GLY D 167 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 PRO D 178 N - CA - C ANGL. DEV. = 12.0 DEGREES REMARK 500 LEU D 182 N - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 HIS D 186 N - CA - C ANGL. DEV. =-11.3 DEGREES REMARK 500 SER D 187 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP D 214 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 PRO D 219 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 PRO D 219 C - N - CA ANGL. DEV. = 10.1 DEGREES REMARK 500 HIS D 220 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 GLN D 221 N - CA - C ANGL. DEV. =-10.6 DEGREES REMARK 500 ASN D 227 N - CA - C ANGL. DEV. = 12.5 DEGREES REMARK 500 ARG D 261 N - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 LYS D 262 N - CA - C ANGL. DEV. =-17.0 DEGREES REMARK 500 ARG D 263 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 GLY E 3 N - CA - C ANGL. DEV. = 11.1 DEGREES REMARK 500 LEU E 5 N - CA - C ANGL. DEV. = 14.0 DEGREES REMARK 500 ILE E 9 N - CA - C ANGL. DEV. = 10.2 DEGREES REMARK 500 ILE E 21 N - CA - C ANGL. DEV. = 16.3 DEGREES REMARK 500 PRO E 22 N - CA - C ANGL. DEV. = 9.8 DEGREES REMARK 500 PRO E 22 C - N - CA ANGL. DEV. = 11.8 DEGREES REMARK 500 ALA E 39 N - CA - C ANGL. DEV. =-14.3 DEGREES REMARK 500 GLN E 40 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 ASP E 42 N - CA - C ANGL. DEV. = 13.6 DEGREES REMARK 500 GLU E 45 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 GLY E 50 N - CA - C ANGL. DEV. = 14.7 DEGREES REMARK 500 GLY E 65 N - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 ALA E 73 N - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 GLY E 88 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 LYS E 109 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 THR E 146 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 HIS E 159 N - CA - C ANGL. DEV. =-13.6 DEGREES REMARK 500 MET E 160 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 ARG E 199 N - CA - C ANGL. DEV. = 10.9 DEGREES REMARK 500 ALA E 202 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 PRO F 18 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 VAL F 26 N - CA - C ANGL. DEV. =-11.2 DEGREES REMARK 500 VAL F 30 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 SER F 37 N - CA - C ANGL. DEV. =-12.3 DEGREES REMARK 500 GLY F 103 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 VAL F 169 N - CA - C ANGL. DEV. = 10.3 DEGREES REMARK 500 ASP F 184 N - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 ASP F 189 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 LYS G 7 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 TYR G 22 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 LYS G 64 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 LYS G 71 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 ASN G 76 N - CA - C ANGL. DEV. =-15.6 DEGREES REMARK 500 GLY G 86 N - CA - C ANGL. DEV. = 13.4 DEGREES REMARK 500 LEU G 100 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 ILE G 111 N - CA - C ANGL. DEV. = 10.4 DEGREES REMARK 500 TYR G 128 N - CA - C ANGL. DEV. = 9.5 DEGREES REMARK 500 ILE G 132 N - CA - C ANGL. DEV. = 12.6 DEGREES REMARK 500 GLU G 134 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 PHE G 138 N - CA - C ANGL. DEV. = 16.7 DEGREES REMARK 500 ASP G 144 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 GLY G 151 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 MET G 173 N - CA - C ANGL. DEV. =-11.4 DEGREES REMARK 500 VAL H 35 N - CA - C ANGL. DEV. = 11.1 DEGREES REMARK 500 GLY H 66 N - CA - C ANGL. DEV. =-13.7 DEGREES REMARK 500 TYR H 83 N - CA - C ANGL. DEV. =-10.9 DEGREES REMARK 500 THR H 84 N - CA - C ANGL. DEV. = 9.0 DEGREES REMARK 500 GLY H 108 N - CA - C ANGL. DEV. = 10.8 DEGREES REMARK 500 TYR H 109 N - CA - C ANGL. DEV. = 10.2 DEGREES REMARK 500 HIS H 111 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 VAL H 113 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 ILE H 114 N - CA - C ANGL. DEV. = 10.3 DEGREES REMARK 500 GLY H 120 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 THR H 122 N - CA - C ANGL. DEV. = 11.7 DEGREES REMARK 500 VAL H 125 N - CA - C ANGL. DEV. = 12.5 DEGREES REMARK 500 GLY H 161 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 GLY H 177 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 ALA I 25 N - CA - C ANGL. DEV. =-10.7 DEGREES REMARK 500 VAL I 36 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 MET I 43 N - CA - C ANGL. DEV. =-14.2 DEGREES REMARK 500 LYS I 44 N - CA - C ANGL. DEV. =-19.8 DEGREES REMARK 500 LEU I 46 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 GLU I 47 N - CA - C ANGL. DEV. =-14.2 DEGREES REMARK 500 GLN I 49 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 ARG I 51 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 GLY J 28 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 ALA J 40 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 ASN J 42 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 THR J 45 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 LEU J 77 N - CA - C ANGL. DEV. =-12.8 DEGREES REMARK 500 ALA J 81 N - CA - C ANGL. DEV. =-15.2 DEGREES REMARK 500 SER J 89 N - CA - C ANGL. DEV. =-12.3 DEGREES REMARK 500 ALA J 108 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 ALA J 128 N - CA - C ANGL. DEV. =-11.3 DEGREES REMARK 500 GLY J 129 N - CA - C ANGL. DEV. =-13.9 DEGREES REMARK 500 PRO J 142 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 LYS K 30 N - CA - C ANGL. DEV. = 11.3 DEGREES REMARK 500 ASP K 45 N - CA - C ANGL. DEV. = 10.1 DEGREES REMARK 500 LEU K 57 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 ALA K 59 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 VAL K 80 N - CA - C ANGL. DEV. =-11.5 DEGREES REMARK 500 ALA K 86 N - CA - C ANGL. DEV. =-14.2 DEGREES REMARK 500 ALA K 89 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 GLN K 107 N - CA - C ANGL. DEV. = 9.0 DEGREES REMARK 500 ALA K 118 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 LYS K 121 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 GLU K 124 N - CA - C ANGL. DEV. =-11.7 DEGREES REMARK 500 VAL K 126 N - CA - C ANGL. DEV. =-16.9 DEGREES REMARK 500 HIS K 129 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 LEU K 135 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 GLY K 138 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 GLY K 153 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 HIS K 156 N - CA - C ANGL. DEV. =-18.5 DEGREES REMARK 500 PRO K 157 C - N - CA ANGL. DEV. =-12.7 DEGREES REMARK 500 HIS K 158 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 CYS L 21 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 ASP L 68 N - CA - C ANGL. DEV. = 13.6 DEGREES REMARK 500 ARG L 83 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG L 90 N - CA - C ANGL. DEV. = 10.1 DEGREES REMARK 500 ASP L 92 N - CA - C ANGL. DEV. =-10.7 DEGREES REMARK 500 ARG L 106 N - CA - C ANGL. DEV. =-11.2 DEGREES REMARK 500 ILE L 126 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 LYS M 14 N - CA - C ANGL. DEV. =-14.9 DEGREES REMARK 500 GLY M 36 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 PHE M 49 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 ALA M 58 N - CA - C ANGL. DEV. =-13.5 DEGREES REMARK 500 ARG M 59 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 THR M 87 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ALA M 95 N - CA - C ANGL. DEV. =-10.8 DEGREES REMARK 500 LEU M 98 CA - CB - CG ANGL. DEV. = -9.0 DEGREES REMARK 500 HIS M 121 N - CA - C ANGL. DEV. =-12.9 DEGREES REMARK 500 VAL M 122 N - CA - C ANGL. DEV. = 12.9 DEGREES REMARK 500 ILE M 130 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 GLY M 138 N - CA - C ANGL. DEV. = 9.0 DEGREES REMARK 500 PHE N 10 N - CA - C ANGL. DEV. =-15.5 DEGREES REMARK 500 GLN N 13 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 ALA N 37 N - CA - C ANGL. DEV. = 11.6 DEGREES REMARK 500 LYS N 44 N - CA - C ANGL. DEV. = 12.3 DEGREES REMARK 500 ILE N 48 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 GLU N 49 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 LYS N 73 N - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 PRO N 74 C - N - CA ANGL. DEV. = 52.5 DEGREES REMARK 500 ALA N 115 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 ALA N 118 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 ARG O 12 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 ASN O 13 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 SER O 15 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 LEU O 38 CA - CB - CG ANGL. DEV. = 9.8 DEGREES REMARK 500 VAL O 66 N - CA - C ANGL. DEV. =-13.0 DEGREES REMARK 500 ALA O 67 N - CA - C ANGL. DEV. =-10.9 DEGREES REMARK 500 ILE O 70 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 GLY O 105 N - CA - C ANGL. DEV. =-10.6 DEGREES REMARK 500 LYS P 36 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 GLY P 48 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 LEU Q 12 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 ILE Q 16 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 HIS Q 20 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 LEU Q 24 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 ASP Q 26 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 ASP Q 31 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 ASN Q 43 N - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 THR Q 45 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 THR Q 67 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 LYS Q 70 N - CA - C ANGL. DEV. =-13.2 DEGREES REMARK 500 ILE Q 71 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 ARG Q 79 N - CA - C ANGL. DEV. = 14.3 DEGREES REMARK 500 ILE Q 93 N - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 VAL Q 99 N - CA - C ANGL. DEV. = 11.3 DEGREES REMARK 500 ARG Q 100 N - CA - C ANGL. DEV. =-19.2 DEGREES REMARK 500 LEU Q 110 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 LYS Q 118 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 GLN R 31 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG R 33 N - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 ARG R 58 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 ILE R 62 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 GLY R 73 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 ALA R 86 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 VAL R 94 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 LYS R 107 N - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 LEU R 109 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 VAL R 110 N - CA - C ANGL. DEV. =-11.0 DEGREES REMARK 500 ASP R 111 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 ALA R 112 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 ARG R 117 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 PHE S 2 N - CA - C ANGL. DEV. =-10.4 DEGREES REMARK 500 ILE S 5 N - CA - C ANGL. DEV. = 16.2 DEGREES REMARK 500 GLN S 6 N - CA - C ANGL. DEV. = 17.8 DEGREES REMARK 500 TYR S 12 N - CA - C ANGL. DEV. = 11.9 DEGREES REMARK 500 ARG S 13 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 GLY S 48 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 GLU S 49 N - CA - C ANGL. DEV. = 10.1 DEGREES REMARK 500 THR S 55 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 GLY S 66 N - CA - C ANGL. DEV. =-18.6 DEGREES REMARK 500 LYS S 67 N - CA - C ANGL. DEV. = 12.1 DEGREES REMARK 500 ARG S 82 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 THR S 84 N - CA - C ANGL. DEV. = 12.7 DEGREES REMARK 500 ARG S 87 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 LYS T 12 N - CA - C ANGL. DEV. =-13.0 DEGREES REMARK 500 GLN T 13 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 LYS T 48 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 SER T 49 N - CA - C ANGL. DEV. = 17.5 DEGREES REMARK 500 ASP T 52 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 ALA T 53 N - CA - C ANGL. DEV. =-10.9 DEGREES REMARK 500 LEU T 56 N - CA - C ANGL. DEV. =-12.0 DEGREES REMARK 500 PRO T 61 N - CA - C ANGL. DEV. = 10.8 DEGREES REMARK 500 SER T 74 N - CA - C ANGL. DEV. =-10.4 DEGREES REMARK 500 LEU T 80 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 ASN T 82 N - CA - C ANGL. DEV. =-10.6 DEGREES REMARK 500 MET T 85 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 PHE T 91 N - CA - C ANGL. DEV. = 11.6 DEGREES REMARK 500 ILE T 107 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 GLU T 130 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 LYS T 131 N - CA - C ANGL. DEV. = 16.2 DEGREES REMARK 500 GLY T 132 N - CA - C ANGL. DEV. = 16.7 DEGREES REMARK 500 ILE U 12 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 LYS U 15 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 ALA U 16 N - CA - C ANGL. DEV. =-17.1 DEGREES REMARK 500 SER U 18 N - CA - C ANGL. DEV. =-13.0 DEGREES REMARK 500 TRP U 28 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 THR U 36 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 GLN U 71 N - CA - C ANGL. DEV. = 10.8 DEGREES REMARK 500 ARG U 72 N - CA - C ANGL. DEV. = 13.6 DEGREES REMARK 500 ILE U 79 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG U 81 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 SER U 87 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 GLY V 7 N - CA - C ANGL. DEV. =-10.4 DEGREES REMARK 500 ASP V 12 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 LEU V 14 N - CA - C ANGL. DEV. = 11.8 DEGREES REMARK 500 HIS V 15 N - CA - C ANGL. DEV. = 10.5 DEGREES REMARK 500 ILE V 54 N - CA - C ANGL. DEV. =-11.0 DEGREES REMARK 500 ASN V 57 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 ASN V 64 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 ASP V 85 N - CA - C ANGL. DEV. =-12.9 DEGREES REMARK 500 ARG V 93 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 VAL V 94 N - CA - C ANGL. DEV. =-12.6 DEGREES REMARK 500 ARG V 105 N - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 VAL V 106 N - CA - C ANGL. DEV. = 15.5 DEGREES REMARK 500 PRO W 7 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ASP W 40 N - CA - C ANGL. DEV. = -9.6 DEGREES REMARK 500 GLU W 60 N - CA - C ANGL. DEV. = 8.9 DEGREES REMARK 500 HIS W 80 N - CA - C ANGL. DEV. = 13.7 DEGREES REMARK 500 VAL W 81 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 TYR W 88 CA - C - N ANGL. DEV. = 42.8 DEGREES REMARK 500 TYR W 88 O - C - N ANGL. DEV. =-61.7 DEGREES REMARK 500 GLY W 89 C - N - CA ANGL. DEV. = 35.8 DEGREES REMARK 500 PRO W 97 N - CA - C ANGL. DEV. = 15.7 DEGREES REMARK 500 PRO W 97 C - N - CA ANGL. DEV. = 24.8 DEGREES REMARK 500 VAL W 123 N - CA - C ANGL. DEV. = 14.2 DEGREES REMARK 500 ALA W 124 N - CA - C ANGL. DEV. = 17.3 DEGREES REMARK 500 PRO W 125 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG W 128 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 LYS W 153 N - CA - C ANGL. DEV. =-18.3 DEGREES REMARK 500 LEU W 154 CA - CB - CG ANGL. DEV. = 9.7 DEGREES REMARK 500 LEU W 154 N - CA - C ANGL. DEV. = 9.6 DEGREES REMARK 500 ARG X 14 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 LYS X 19 N - CA - C ANGL. DEV. = 9.5 DEGREES REMARK 500 TYR X 20 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 PHE X 45 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 HIS X 57 N - CA - C ANGL. DEV. =-11.7 DEGREES REMARK 500 ALA X 61 N - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 ARG X 77 N - CA - C ANGL. DEV. = 19.7 DEGREES REMARK 500 PHE X 78 N - CA - C ANGL. DEV. = 19.2 DEGREES REMARK 500 PHE X 78 C - N - CA ANGL. DEV. =-10.7 DEGREES REMARK 500 ILE X 79 N - CA - C ANGL. DEV. = 15.0 DEGREES REMARK 500 PHE X 78 CA - C - N ANGL. DEV. =-11.8 DEGREES REMARK 500 ILE X 79 C - N - CA ANGL. DEV. = 14.4 DEGREES REMARK 500 GLU X 82 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 PRO Y 3 C - N - CA ANGL. DEV. = 11.4 DEGREES REMARK 500 LEU Y 25 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 MET Y 26 N - CA - C ANGL. DEV. =-11.5 DEGREES REMARK 500 GLN Y 39 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 ARG Y 42 N - CA - C ANGL. DEV. =-12.7 DEGREES REMARK 500 ARG Y 44 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 GLN Y 45 N - CA - C ANGL. DEV. =-13.2 DEGREES REMARK 500 LEU Y 46 N - CA - C ANGL. DEV. =-12.8 DEGREES REMARK 500 ARG Y 48 N - CA - C ANGL. DEV. =-15.1 DEGREES REMARK 500 VAL Y 50 N - CA - C ANGL. DEV. =-15.1 DEGREES REMARK 500 ALA Y 51 N - CA - C ANGL. DEV. =-12.6 DEGREES REMARK 500 ASN Y 54 N - CA - C ANGL. DEV. =-12.3 DEGREES REMARK 500 THR Y 55 N - CA - C ANGL. DEV. =-17.4 DEGREES REMARK 500 ALA Y 58 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 GLY Y 64 N - CA - C ANGL. DEV. =-19.5 DEGREES REMARK 500 GLU Y 65 N - CA - C ANGL. DEV. =-16.5 DEGREES REMARK 500 THR Z 19 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 LYS 1 13 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 HIS 1 32 N - CA - C ANGL. DEV. = 13.3 DEGREES REMARK 500 VAL 1 35 N - CA - C ANGL. DEV. = 12.4 DEGREES REMARK 500 TRP 1 36 N - CA - C ANGL. DEV. = 15.8 DEGREES REMARK 500 PHE 1 42 N - CA - C ANGL. DEV. = 11.2 DEGREES REMARK 500 LEU 2 25 N - CA - C ANGL. DEV. =-13.7 DEGREES REMARK 500 LYS 2 40 N - CA - C ANGL. DEV. = 14.9 DEGREES REMARK 500 HIS 2 44 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 CYS 2 46 N - CA - C ANGL. DEV. = 14.0 DEGREES REMARK 500 PRO 2 47 CA - N - CD ANGL. DEV. =-10.0 DEGREES REMARK 500 PRO 2 47 C - N - CA ANGL. DEV. = 53.5 DEGREES REMARK 500 GLU 3 13 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 SER 3 14 N - CA - C ANGL. DEV. = 10.3 DEGREES REMARK 500 PHE 3 20 N - CA - C ANGL. DEV. = 10.9 DEGREES REMARK 500 THR 3 24 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 LYS 3 39 N - CA - C ANGL. DEV. =-11.7 DEGREES REMARK 500 ALA 3 44 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 ALA 4 13 N - CA - C ANGL. DEV. = -9.6 DEGREES REMARK 500 SER 4 45 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 LYS 5 8 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 ALA 5 10 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 LYS 5 11 N - CA - C ANGL. DEV. =-15.1 DEGREES REMARK 500 PHE 5 25 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 GLN 5 32 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ARG 5 57 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 LEU 5 62 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 LYS 6 8 N - CA - C ANGL. DEV. = 10.4 DEGREES REMARK 500 LYS 7 42 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 LYS 7 43 CB - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 LYS 7 43 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 LYS 7 43 C - N - CA ANGL. DEV. = 18.7 DEGREES REMARK 500 ASP 7 45 N - CA - C ANGL. DEV. = 20.0 DEGREES REMARK 500 ASP 7 45 CA - C - O ANGL. DEV. =-11.5 DEGREES REMARK 500 LEU 7 46 CB - CA - C ANGL. DEV. =-11.2 DEGREES REMARK 500 LEU 7 46 N - CA - C ANGL. DEV. = 14.2 DEGREES REMARK 500 ASP 7 45 CA - C - N ANGL. DEV. = 11.3 DEGREES REMARK 500 THR 7 198 C - N - CA ANGL. DEV. = 9.0 DEGREES REMARK 500 ASN 7 199 CB - CA - C ANGL. DEV. = 10.2 DEGREES REMARK 500 ASN 7 199 C - N - CA ANGL. DEV. = 16.8 DEGREES REMARK 500 ASN 7 199 CA - C - N ANGL. DEV. = 15.7 DEGREES REMARK 500 ASN 7 199 O - C - N ANGL. DEV. =-15.4 DEGREES REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG D 28 139.82 49.66 REMARK 500 LYS D 39 -82.28 49.72 REMARK 500 ASN D 44 -69.00 52.51 REMARK 500 SER D 51 131.05 74.09 REMARK 500 TYR D 62 -37.21 71.79 REMARK 500 ILE D 64 158.59 62.84 REMARK 500 VAL D 79 136.62 66.45 REMARK 500 HIS D 96 -100.50 -163.02 REMARK 500 ILE D 105 166.92 61.73 REMARK 500 VAL D 117 144.77 67.26 REMARK 500 GLN D 154 -116.49 71.71 REMARK 500 VAL D 175 130.75 61.93 REMARK 500 LEU D 257 -128.43 178.38 REMARK 500 ARG D 260 -114.48 57.87 REMARK 500 ARG D 261 162.79 63.09 REMARK 500 ILE E 9 136.87 69.82 REMARK 500 LYS E 16 -83.13 66.21 REMARK 500 CYS E 31 142.08 71.87 REMARK 500 ILE E 33 -47.57 76.88 REMARK 500 ASP E 42 -116.29 54.19 REMARK 500 SER E 140 -102.70 57.87 REMARK 500 ASN E 180 133.35 66.34 REMARK 500 ILE E 182 125.67 75.93 REMARK 500 ALA E 187 -62.90 64.95 REMARK 500 ILE E 188 131.24 64.72 REMARK 500 ASN E 192 -107.71 49.90 REMARK 500 VAL E 196 127.87 70.10 REMARK 500 ALA E 204 121.05 71.22 REMARK 500 GLN F 3 123.34 64.61 REMARK 500 THR F 64 -84.05 52.38 REMARK 500 ALA F 83 125.40 65.31 REMARK 500 PHE F 84 137.45 66.12 REMARK 500 ARG F 89 140.50 72.93 REMARK 500 ASP F 121 -89.15 30.50 REMARK 500 GLN G 3 -76.55 46.25 REMARK 500 ASN G 37 125.10 62.82 REMARK 500 GLU G 45 154.05 65.46 REMARK 500 LEU G 79 128.06 65.19 REMARK 500 LYS G 88 -118.31 97.51 REMARK 500 VAL G 89 133.25 80.50 REMARK 500 ASN G 118 121.67 56.54 REMARK 500 ASN G 120 -106.57 58.20 REMARK 500 ALA G 121 -88.68 67.05 REMARK 500 PHE G 122 -144.31 22.42 REMARK 500 ASP G 123 165.26 82.31 REMARK 500 ILE G 132 154.88 17.63 REMARK 500 LYS H 25 154.85 60.77 REMARK 500 VAL H 43 148.88 69.11 REMARK 500 ILE H 115 166.38 59.83 REMARK 500 PHE H 123 156.17 64.16 REMARK 500 VAL H 125 -49.08 93.55 REMARK 500 LYS H 175 -44.97 72.25 REMARK 500 ALA H 176 -114.04 -171.64 REMARK 500 ILE I 4 164.40 58.46 REMARK 500 SER I 37 139.96 67.21 REMARK 500 VAL J 8 132.73 66.17 REMARK 500 ILE J 34 -73.59 67.43 REMARK 500 PHE J 65 138.03 57.77 REMARK 500 ALA J 82 -146.91 177.22 REMARK 500 HIS K 66 -30.65 73.59 REMARK 500 ASN K 73 -104.94 57.23 REMARK 500 ILE K 127 -80.52 66.90 REMARK 500 LYS K 137 133.88 72.41 REMARK 500 GLN K 140 -93.69 34.52 REMARK 500 LYS K 167 -111.75 58.75 REMARK 500 MET L 3 150.86 60.13 REMARK 500 ALA L 16 161.00 57.64 REMARK 500 LYS L 56 -72.29 58.65 REMARK 500 ASP L 68 -73.93 52.00 REMARK 500 VAL L 69 127.05 57.83 REMARK 500 ILE L 81 142.39 73.45 REMARK 500 ALA L 84 -39.93 68.11 REMARK 500 VAL L 97 147.00 70.59 REMARK 500 MET L 124 -80.84 52.86 REMARK 500 THR M 26 168.86 64.60 REMARK 500 THR M 29 127.76 70.91 REMARK 500 LYS M 35 127.55 63.76 REMARK 500 GLN M 37 123.49 54.30 REMARK 500 ALA M 47 -72.10 68.38 REMARK 500 PHE M 48 -49.45 72.55 REMARK 500 LEU M 60 -51.41 103.71 REMARK 500 ARG M 63 130.73 63.86 REMARK 500 THR M 70 -87.34 34.89 REMARK 500 LEU M 77 -36.85 66.62 REMARK 500 ASN M 103 -78.59 52.55 REMARK 500 GLU M 113 -82.42 60.54 REMARK 500 LYS N 12 -95.92 -176.17 REMARK 500 PHE N 14 147.56 53.42 REMARK 500 ARG N 17 151.18 64.16 REMARK 500 ALA N 22 -102.83 -176.30 REMARK 500 SER N 45 -65.78 70.42 REMARK 500 LYS N 78 154.96 64.72 REMARK 500 TYR N 93 141.09 76.88 REMARK 500 SER N 96 135.68 64.18 REMARK 500 THR N 111 -82.12 59.29 REMARK 500 ALA O 6 -64.05 68.13 REMARK 500 THR O 37 157.59 58.33 REMARK 500 ILE O 113 129.38 66.57 REMARK 500 SER P 34 -41.49 66.03 REMARK 500 ASP P 45 141.40 63.63 REMARK 500 ILE P 84 -46.13 70.21 REMARK 500 LEU P 112 140.20 66.62 REMARK 500 THR Q 21 -100.59 -168.48 REMARK 500 ASN Q 43 -88.79 63.47 REMARK 500 SER Q 60 -101.82 -151.41 REMARK 500 VAL Q 77 -72.73 63.11 REMARK 500 ILE Q 93 -174.94 27.93 REMARK 500 VAL Q 99 122.19 49.72 REMARK 500 ARG Q 108 -39.85 68.53 REMARK 500 ALA Q 115 -97.38 56.05 REMARK 500 VAL Q 124 156.18 50.85 REMARK 500 ARG R 3 156.73 66.59 REMARK 500 MET R 74 151.56 58.72 REMARK 500 TYR R 76 -87.99 64.00 REMARK 500 LEU R 90 -90.23 67.77 REMARK 500 VAL R 94 -43.62 88.08 REMARK 500 THR S 7 133.82 71.45 REMARK 500 ASP S 31 -78.73 34.09 REMARK 500 GLU S 34 131.11 71.53 REMARK 500 ALA S 37 -111.19 -158.19 REMARK 500 GLU S 43 -72.88 71.60 REMARK 500 THR S 55 -113.90 -161.49 REMARK 500 VAL S 56 -95.34 63.88 REMARK 500 TYR S 74 148.84 77.50 REMARK 500 TYR S 80 -97.75 -177.00 REMARK 500 THR S 84 155.77 53.55 REMARK 500 PHE T 25 123.33 63.43 REMARK 500 TYR T 30 -83.79 65.46 REMARK 500 VAL T 31 -56.18 74.42 REMARK 500 SER T 34 133.90 58.50 REMARK 500 LEU T 90 148.67 65.71 REMARK 500 ALA T 110 -111.22 -164.37 REMARK 500 ARG T 120 148.16 61.84 REMARK 500 ALA U 9 159.36 72.77 REMARK 500 THR U 55 129.02 61.31 REMARK 500 ASN U 57 -112.05 -171.50 REMARK 500 ASP U 74 -101.94 50.18 REMARK 500 ARG U 75 159.71 65.92 REMARK 500 ALA U 90 144.93 61.18 REMARK 500 HIS V 15 -40.21 65.44 REMARK 500 LYS V 28 -41.85 72.76 REMARK 500 LEU V 37 162.73 63.79 REMARK 500 ALA V 39 165.13 64.14 REMARK 500 LYS V 90 124.84 69.31 REMARK 500 ALA W 5 167.29 67.87 REMARK 500 GLU W 16 -112.55 58.27 REMARK 500 ALA W 21 141.20 60.59 REMARK 500 VAL W 30 167.17 59.60 REMARK 500 LEU W 34 156.31 83.88 REMARK 500 ARG W 74 -70.90 68.11 REMARK 500 VAL W 116 132.49 66.34 REMARK 500 ALA W 124 -56.15 89.26 REMARK 500 HIS W 146 164.13 61.49 REMARK 500 SER X 9 158.21 67.86 REMARK 500 LYS X 32 -97.35 -173.87 REMARK 500 ALA X 33 134.51 71.13 REMARK 500 LYS X 44 -81.30 65.53 REMARK 500 LYS X 66 127.85 66.05 REMARK 500 VAL X 68 -147.33 29.07 REMARK 500 ALA Y 32 150.03 65.18 REMARK 500 THR 1 44 130.68 76.43 REMARK 500 VAL 1 56 -118.95 52.99 REMARK 500 LYS 2 8 -104.12 50.82 REMARK 500 SER 2 14 -73.91 72.12 REMARK 500 ALA 2 24 -84.36 55.96 REMARK 500 ALA 2 27 120.97 67.98 REMARK 500 CYS 2 33 149.76 63.76 REMARK 500 HIS 2 37 -112.16 48.53 REMARK 500 LYS 2 40 -33.80 74.30 REMARK 500 LYS 3 3 169.96 53.33 REMARK 500 ILE 3 9 151.32 68.55 REMARK 500 LYS 3 34 -79.87 66.84 REMARK 500 TYR 3 40 144.31 66.31 REMARK 500 LYS 3 45 -96.35 55.46 REMARK 500 GLU 3 52 152.39 61.39 REMARK 500 GLN 4 6 149.25 64.17 REMARK 500 PHE 4 18 -84.40 48.41 REMARK 500 HIS 4 40 151.35 58.79 REMARK 500 SER 5 37 149.32 66.50 REMARK 500 VAL 6 3 127.34 68.45 REMARK 500 LYS 6 8 163.23 54.38 REMARK 500 VAL 6 17 124.70 63.02 REMARK 500 ASN 6 29 -101.05 -161.72 REMARK 500 LYS 7 160 -101.59 -168.46 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1VOQ RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME ONE REMARK 900 RELATED ID: 1VOS RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME TWO REMARK 900 RELATED ID: 1VOU RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME TWO REMARK 900 RELATED ID: 1VOV RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME THREE REMARK 900 RELATED ID: 1VOW RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME THREE REMARK 900 RELATED ID: 1VOX RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME FOUR REMARK 900 RELATED ID: 1VOY RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME FOUR REMARK 900 RELATED ID: 1VOZ RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME FIVE REMARK 900 RELATED ID: 1VP0 RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME FIVE REMARK 999 REMARK 999 SEQUENCE REMARK 999 REMARK 999 THE 50S SUBUNIT IS MODELLED BASED ON 1PNU WHICH ARE DERIVED REMARK 999 MAINLY FROM 1LNR, THE DEINOCOCCUS RADIODURANS 50 SUBUNIT, REMARK 999 WITH MODIFICATIONS TO THE RRNA TO MAKE IT MATCH E. COLI REMARK 999 INSERTIONS AND DELETIONS. THE SEQUENCE OF THIS SUBUNIT REMARK 999 REPRESENT THAT OF PDB ENTRY, 1LNR. AS A RESULT, NO DBREF REMARK 999 WAS PROVIDED. REMARK 999 REMARK 999 SOME RESIDUES ARE NOT AT LINK DISTANCE. REMARK 999 REMARK 999 THE SHORT CONTACTS LISTED AT REMARK 500 NOT BE COMPLETE REMARK 999 SINCE THIS FILE ONLY REPRESENTS ONE TENTH OF THE ENTIRE REMARK 999 CRYSTAL STRUCTURE. SEQRES 1 B 2825 G G U C A A G A U A G U A SEQRES 2 B 2825 A G G G U C C A C G G U G SEQRES 3 B 2825 G A U G C C C U G G C G C SEQRES 4 B 2825 U G G A G C C G A U G A A SEQRES 5 B 2825 G G A C G C G A U U A C C SEQRES 6 B 2825 U G C G A A A A G C C C C SEQRES 7 B 2825 G A C G A G C U G G A G A SEQRES 8 B 2825 U A C G C U U U G A C U C SEQRES 9 B 2825 G G G G A U G U C C G A A SEQRES 10 B 2825 U G G G G A A A C C C A C SEQRES 11 B 2825 C U C G U A A G A G G U A SEQRES 12 B 2825 U C C G C A A G G A U G G SEQRES 13 B 2825 G A A C U C A G G G A A C SEQRES 14 B 2825 U G A A A C A U C U C A G SEQRES 15 B 2825 U A C C U G A A G G A G A SEQRES 16 B 2825 A G A A A G A G A A U U C SEQRES 17 B 2825 G A U U C C G U U A G U A SEQRES 18 B 2825 G C G G C G A G C G A A C SEQRES 19 B 2825 C C G G A U C A G C C C A SEQRES 20 B 2825 A A U U C A A C C C C U C SEQRES 21 B 2825 A A G C C G A A G U G G C SEQRES 22 B 2825 U G G A A A G C U A C A C SEQRES 23 B 2825 C U C A G A A G G U G A G SEQRES 24 B 2825 A G U C C U G U A G G C G SEQRES 25 B 2825 A A C G A G C G G U U G A SEQRES 26 B 2825 C U G U A A G G U C G U U SEQRES 27 B 2825 G U U C G U G A A A C G A SEQRES 28 B 2825 U G A C U G A A U C C G C SEQRES 29 B 2825 G C G G A C C A C C G C G SEQRES 30 B 2825 C A A G G C U A A A U A C SEQRES 31 B 2825 U C C C A G U G A C C G A SEQRES 32 B 2825 U A G C G C A U A G U A C SEQRES 33 B 2825 C G U G A G G G A A A G G SEQRES 34 B 2825 U G A A A A G A A C C C C SEQRES 35 B 2825 G G G A G G G G A G U G A SEQRES 36 B 2825 A A G A G A A C C U G A A SEQRES 37 B 2825 A C C G U G G A C U U A C SEQRES 38 B 2825 A A G C A G U C A U G G C SEQRES 39 B 2825 A C C U U A U G C G U G U SEQRES 40 B 2825 U A U G G C G U G C C U A SEQRES 41 B 2825 U U G A A G C A U G A G C SEQRES 42 B 2825 C G G C G A C U U A G A C SEQRES 43 B 2825 C U G A C G U G C G A G C SEQRES 44 B 2825 U U A A G U U G A A A A A SEQRES 45 B 2825 C G G A G G C G G A G C G SEQRES 46 B 2825 A A A G C G A G U C C G A SEQRES 47 B 2825 A U A G G G C G G C A U U SEQRES 48 B 2825 A G U A C G U C G G G C U SEQRES 49 B 2825 A G A C U C G A A A C C A SEQRES 50 B 2825 G G U G A G C U A A G C A SEQRES 51 B 2825 U G A C C A G G U U G A A SEQRES 52 B 2825 A C C C C C G U G A C A G SEQRES 53 B 2825 G G G G C G G A G G A C C SEQRES 54 B 2825 G A A C C G G U G C C U G SEQRES 55 B 2825 C U G A A A C A G U C U C SEQRES 56 B 2825 G G A U G A G U U G U G U SEQRES 57 B 2825 U U A G G A G U G A A A A SEQRES 58 B 2825 G C U A A C C G A A C C U SEQRES 59 B 2825 G G A G A U A G C U A G U SEQRES 60 B 2825 U C U C C C C G A A A U G SEQRES 61 B 2825 U A U U G A G G U A C A G SEQRES 62 B 2825 C C U C G G A U G U U G A SEQRES 63 B 2825 C C A U G U C C U G U A G SEQRES 64 B 2825 A G C A C U C A C A A G G SEQRES 65 B 2825 C U A A G G G C A C G U A SEQRES 66 B 2825 A U G U G U U C U A A A C SEQRES 67 B 2825 C U U A U G A A A C U C C SEQRES 68 B 2825 G A A G G G G C A C G C G SEQRES 69 B 2825 U U U A G U C C G G G A G SEQRES 70 B 2825 U G A G G C U G C G A G A SEQRES 71 B 2825 G C U A A C U U C C G U A SEQRES 72 B 2825 G C C G A G A G G G A A A SEQRES 73 B 2825 C A A C C C A G A C C A U SEQRES 74 B 2825 C A G C U A A G G U C C C SEQRES 75 B 2825 U A A A U G A U C G C U C SEQRES 76 B 2825 A G U G G U U A A G G A U SEQRES 77 B 2825 G U G U C G U C G C A U A SEQRES 78 B 2825 G A C A G C C A G G A G G SEQRES 79 B 2825 U U G G C U U A G A A G C SEQRES 80 B 2825 A G C C A C C C U U C A A SEQRES 81 B 2825 A G A G U G C G U A A U A SEQRES 82 B 2825 G C U C A C U G G U C G A SEQRES 83 B 2825 G U G A C G A U G C G C C SEQRES 84 B 2825 G A A A A U G A U C G G G SEQRES 85 B 2825 G C U C A A G U G A U C U SEQRES 86 B 2825 A C C G A A G C U A U G G SEQRES 87 B 2825 A U U C A A C U C G C G A SEQRES 88 B 2825 A G C G A G U U G U C U G SEQRES 89 B 2825 G U A G G G G A G C G U U SEQRES 90 B 2825 C A G U C C G C G G A G A SEQRES 91 B 2825 A G C C A U A C C G G A A SEQRES 92 B 2825 G G A G U G G U G G A G C SEQRES 93 B 2825 C G A C U G A A G U G C G SEQRES 94 B 2825 G A U G C C G G C A U G A SEQRES 95 B 2825 G U A A C G A U A A A A G SEQRES 96 B 2825 A A G U G A G A A U C U U SEQRES 97 B 2825 C U U C G C C G U A A G G SEQRES 98 B 2825 A C A A G G G U U C C U G SEQRES 99 B 2825 G G G A A G G G U C G U C SEQRES 10 B 2825 C G C C C A G G G A A A G SEQRES 10 B 2825 U C G G G A C C U A A G G SEQRES 10 B 2825 U G A G G C C G A A C G G SEQRES 10 B 2825 C G C A G C C G A U G G A SEQRES 10 B 2825 C A G C A G G U C A A G A SEQRES 10 B 2825 U U C C U G C A C C G A U SEQRES 10 B 2825 C A U G U G G A G U G A U SEQRES 10 B 2825 G G A G G G A C G C A U U SEQRES 10 B 2825 A C G C U A U C C A A U G SEQRES 10 B 2825 C C A A G C U A U G G C U SEQRES 11 B 2825 A U G C U G G U U G G U A SEQRES 11 B 2825 C G C U C A A G G G C G A SEQRES 11 B 2825 U C G G G U C A G A A A A SEQRES 11 B 2825 U C U A C C G G U C A C A SEQRES 11 B 2825 U G C C U C A G A C G U A SEQRES 11 B 2825 U C G G G A G C U U C C U SEQRES 11 B 2825 C G G A A G C G A A G U U SEQRES 11 B 2825 G G A A A C G C G A C G G SEQRES 11 B 2825 U G C C A A G A A A A G C SEQRES 11 B 2825 U U C U A A A C G U U G A SEQRES 12 B 2825 A A C A U G A U U G C C C SEQRES 12 B 2825 G U A C C G C A A A C C G SEQRES 12 B 2825 A C A C A G G U G U C C G SEQRES 12 B 2825 A G U G U C A A U G C A C SEQRES 12 B 2825 U A A G G C G C G C G A G SEQRES 12 B 2825 A G A A C C C U C G U U A SEQRES 12 B 2825 A G G A A C U U U G C A A SEQRES 12 B 2825 U C U C A C C C C G U A A SEQRES 12 B 2825 C U U C G G A A G A A G G SEQRES 12 B 2825 G G U C C C C A C G C U U SEQRES 13 B 2825 C G C G U G G G G C G C A SEQRES 13 B 2825 G U G A A U A G G C C C A SEQRES 13 B 2825 G G C G A C U G U U U A C SEQRES 13 B 2825 C A A A A U C A C A G C A SEQRES 13 B 2825 C U C U G C C A A C A C G SEQRES 13 B 2825 A A C A G U G G A C G U A SEQRES 13 B 2825 U A G G G U G U G A C G C SEQRES 13 B 2825 C U G C C C G G U G C C G SEQRES 13 B 2825 G A A G G U C A A G U G G SEQRES 13 B 2825 A G C G G U A A G U G C A SEQRES 14 B 2825 A G C A A A G C U G C G A SEQRES 14 B 2825 A A U G A A G C C C C G G SEQRES 14 B 2825 U G A A C G G C G G C C G SEQRES 14 B 2825 U A A C U A U A A C G G U SEQRES 14 B 2825 C C U A A G G U A G C G A SEQRES 14 B 2825 A A U U C C U U G U C G G SEQRES 14 B 2825 G U A A G U U C C G A C C SEQRES 14 B 2825 U G C A C G A A A G G C G SEQRES 14 B 2825 U A A C G A U C U G G G C SEQRES 14 B 2825 G C U G U C U C A A C G A SEQRES 15 B 2825 G G G A C U C G G U G A A SEQRES 15 B 2825 A U U G A A U U G G C U G SEQRES 15 B 2825 U A A A G A U G C G G C C SEQRES 15 B 2825 U A C C C G U A G C A G G SEQRES 15 B 2825 A C G A A A A G A C C C C SEQRES 15 B 2825 G U G G A G C U U U A C U SEQRES 15 B 2825 A U A G U C U G G C A U U SEQRES 15 B 2825 C A A C G U U G A G A C G SEQRES 15 B 2825 U G G U G C G U A G G A U SEQRES 15 B 2825 A G G U G G G A G G C G A SEQRES 16 B 2825 A G A A C C C U G G C U A SEQRES 16 B 2825 C G G C U G G G G G G A G SEQRES 16 B 2825 C C G C C G G U G A A A U SEQRES 16 B 2825 A C C A C C C U C U A C U SEQRES 16 B 2825 U U U U G A C G U U G U A SEQRES 16 B 2825 A C C U G A A A A A U C A SEQRES 16 B 2825 C U U U C G G G G A C C G SEQRES 16 B 2825 U G C U U G G C G G G U A SEQRES 16 B 2825 G U U U G A C U G G G G C SEQRES 16 B 2825 G G U C G C C U C C C A A SEQRES 17 B 2825 A A U G U A A C G G A G G SEQRES 17 B 2825 C G C C C A A A G G U C A SEQRES 17 B 2825 C C U C A A G A C G G U U SEQRES 17 B 2825 G G A A A U C G U C U G U SEQRES 17 B 2825 A G A G C G C A A A G G U SEQRES 17 B 2825 A G A A G G U G G C U U G SEQRES 17 B 2825 A C U G C G A G A C U G A SEQRES 17 B 2825 C A C G U C G A G C A G G SEQRES 17 B 2825 G A G G A A A C U C G G G SEQRES 17 B 2825 C U U A G U G A A C C G G SEQRES 18 B 2825 U G G U A C C G U G U G G SEQRES 18 B 2825 A A G G G C C A U C G A U SEQRES 18 B 2825 C A A C G G A U A A A A G SEQRES 18 B 2825 U U A C C C C G G G G A U SEQRES 18 B 2825 A A C A G G C U G A U C U SEQRES 18 B 2825 C C C C C G A G A G U C C SEQRES 18 B 2825 A U A U C G G C G G G G A SEQRES 18 B 2825 G G U U U G G C A C C U C SEQRES 18 B 2825 G A U G U C G G C U C G U SEQRES 18 B 2825 C G C A U C C U G G G G C SEQRES 19 B 2825 U G A A G A A G G U C C C SEQRES 19 B 2825 A A G G G U U G G G C U G SEQRES 19 B 2825 U U C G C C C A U U A A A SEQRES 19 B 2825 G C G G C A C G C G A G C SEQRES 19 B 2825 U G G G U U C A G A A C G SEQRES 19 B 2825 U C G U G A G A C A G U U SEQRES 19 B 2825 C G G U C U C U A U C C G SEQRES 19 B 2825 C U A C G G G C G C A G G SEQRES 19 B 2825 A G A A U U G A G G G G A SEQRES 19 B 2825 G U U G C U C C U A G U A SEQRES 20 B 2825 C G A G A G G A C C G G A SEQRES 20 B 2825 G U G A A C G G A C C G C SEQRES 20 B 2825 U G G U C U C C C U G C U SEQRES 20 B 2825 G U C G U A C C A A C G G SEQRES 20 B 2825 C A C A U G C A G G G U A SEQRES 20 B 2825 G C U A U G U C C G G A A SEQRES 20 B 2825 C G G A U A A C C G C U G SEQRES 20 B 2825 A A A G C A U C U A A G C SEQRES 20 B 2825 G G G A A G C C A G C C C SEQRES 20 B 2825 C A A G A U G A G U U C U SEQRES 21 B 2825 C C C A C U G U U C A G G SEQRES 21 B 2825 U A A G A C U C C C G G A SEQRES 21 B 2825 A G A C C A C C G G G U U SEQRES 21 B 2825 A A G A G G C C A G G C G SEQRES 21 B 2825 U G C A C G C A U A G C A SEQRES 21 B 2825 A U G U G U U C A G C G G SEQRES 21 B 2825 A C U G G U G C U C A U C SEQRES 21 B 2825 A G U C G A G G U C U U G SEQRES 21 B 2825 A C C A SEQRES 1 A 119 C C C C C G U G C C C A U SEQRES 2 A 119 A G C A C U G U G G A A C SEQRES 3 A 119 C A C C C C A C C C C A U SEQRES 4 A 119 G C C G A A C U G G G U C SEQRES 5 A 119 G U G A A A C A C A G C A SEQRES 6 A 119 G C G C C A A U G A U A C SEQRES 7 A 119 U C G G A C C G C A G G G SEQRES 8 A 119 U C C C G G A A A A G U C SEQRES 9 A 119 G G U C A G C G C G G G G SEQRES 10 A 119 G G SEQRES 1 D 270 LYS LYS TYR ARG PRO TYR THR PRO SER ARG ARG GLN MET SEQRES 2 D 270 THR THR ALA ASP PHE SER GLY LEU THR LYS LYS ARG PRO SEQRES 3 D 270 GLU LYS ALA LEU THR GLU ALA LEU PRO LYS THR GLY GLY SEQRES 4 D 270 ARG ASN ASN ARG GLY ARG ILE THR SER ARG PHE ILE GLY SEQRES 5 D 270 GLY GLY HIS LYS ARG LEU TYR ARG ILE ILE ASP PHE LYS SEQRES 6 D 270 ARG ARG ASP LYS SER GLY VAL ASN ALA LYS VAL ALA ALA SEQRES 7 D 270 ILE GLU TYR ASP PRO ASN ARG SER ALA ARG ILE ALA LEU SEQRES 8 D 270 LEU HIS TYR ALA ASP GLY GLU LYS ARG TYR ILE LEU ALA SEQRES 9 D 270 PRO GLU GLY LEU THR VAL GLY ALA THR VAL ASN ALA GLY SEQRES 10 D 270 PRO GLU ALA GLU PRO LYS LEU GLY ASN ALA LEU PRO LEU SEQRES 11 D 270 ARG PHE VAL PRO VAL GLY ALA VAL VAL HIS ALA LEU GLU SEQRES 12 D 270 LEU VAL PRO GLY LYS GLY ALA GLN LEU ALA ARG SER ALA SEQRES 13 D 270 GLY THR SER VAL GLN VAL GLN GLY LYS GLU SER ASP TYR SEQRES 14 D 270 VAL ILE VAL ARG LEU PRO SER GLY GLU LEU ARG ARG VAL SEQRES 15 D 270 HIS SER GLU CYS TYR ALA THR ILE GLY ALA VAL GLY ASN SEQRES 16 D 270 ALA GLU HIS LYS ASN ILE VAL LEU GLY LYS ALA GLY ARG SEQRES 17 D 270 SER ARG TRP LEU GLY ARG LYS PRO HIS GLN ARG GLY SER SEQRES 18 D 270 ALA MET ASN PRO VAL ASP HIS PRO HIS GLY GLY GLY GLU SEQRES 19 D 270 GLY ARG THR GLY ALA GLY ARG VAL PRO VAL THR PRO TRP SEQRES 20 D 270 GLY LYS PRO THR LYS GLY LEU LYS THR ARG ARG LYS ARG SEQRES 21 D 270 LYS THR SER ASP ARG PHE ILE VAL THR ARG SEQRES 1 E 205 MET LYS GLY ILE LEU GLY THR LYS ILE GLY MET THR GLN SEQRES 2 E 205 ILE TRP LYS ASN ASP ARG ALA ILE PRO VAL THR VAL VAL SEQRES 3 E 205 LEU ALA GLY PRO CYS PRO ILE VAL GLN ARG LYS THR ALA SEQRES 4 E 205 GLN THR ASP GLY TYR GLU ALA VAL GLN ILE GLY TYR ALA SEQRES 5 E 205 PRO LYS ALA GLU ARG LYS VAL ASN LYS PRO MET GLN GLY SEQRES 6 E 205 HIS PHE ALA LYS ALA GLY VAL ALA PRO THR ARG ILE LEU SEQRES 7 E 205 ARG GLU PHE ARG GLY PHE ALA PRO ASP GLY ASP SER VAL SEQRES 8 E 205 ASN VAL ASP ILE PHE ALA GLU GLY GLU LYS ILE ASP ALA SEQRES 9 E 205 THR GLY THR SER LYS GLY LYS GLY THR GLN GLY VAL MET SEQRES 10 E 205 LYS ARG TRP ASN PHE ALA GLY GLY PRO ALA SER HIS GLY SEQRES 11 E 205 SER LYS LYS TRP HIS ARG ARG PRO GLY SER ILE GLY GLN SEQRES 12 E 205 ARG LYS THR PRO GLY ARG VAL TYR LYS GLY LYS ARG MET SEQRES 13 E 205 ALA GLY HIS MET GLY MET GLU ARG VAL THR VAL GLN ASN SEQRES 14 E 205 LEU GLU VAL VAL GLU ILE ARG ALA GLY GLU ASN LEU ILE SEQRES 15 E 205 LEU VAL LYS GLY ALA ILE PRO GLY ALA ASN GLY GLY LEU SEQRES 16 E 205 VAL VAL LEU ARG SER ALA ALA LYS ALA SER SEQRES 1 F 198 PRO ALA GLN ILE ASN VAL ILE GLY GLN ASN GLY GLY ARG SEQRES 2 F 198 THR ILE GLU LEU PRO LEU PRO GLU VAL ASN SER GLY VAL SEQRES 3 F 198 LEU HIS GLU VAL VAL THR TRP GLN LEU ALA SER ARG ARG SEQRES 4 F 198 ARG GLY THR ALA SER THR ARG THR ARG ALA GLN VAL SER SEQRES 5 F 198 LYS THR GLY ARG LYS MET TYR GLY GLN LYS GLY THR GLY SEQRES 6 F 198 ASN ALA ARG HIS GLY ASP ARG SER VAL PRO THR PHE VAL SEQRES 7 F 198 GLY GLY GLY VAL ALA PHE GLY PRO LYS PRO ARG SER TYR SEQRES 8 F 198 ASP TYR THR LEU PRO ARG GLN VAL ARG GLN LEU GLY LEU SEQRES 9 F 198 ALA MET ALA ILE ALA SER ARG GLN GLU GLY GLY LYS LEU SEQRES 10 F 198 VAL ALA VAL ASP GLY PHE ASP ILE ALA ASP ALA LYS THR SEQRES 11 F 198 LYS ASN PHE ILE SER TRP ALA LYS GLN ASN GLY LEU ASP SEQRES 12 F 198 GLY THR GLU LYS VAL LEU LEU VAL THR ASP ASP GLU ASN SEQRES 13 F 198 THR ARG ARG ALA ALA ARG ASN VAL SER TRP VAL SER VAL SEQRES 14 F 198 LEU PRO VAL ALA GLY VAL ASN VAL TYR ASP ILE LEU ARG SEQRES 15 F 198 HIS ASP ARG LEU VAL ILE ASP ALA ALA ALA LEU GLU ILE SEQRES 16 F 198 VAL GLU GLU SEQRES 1 G 178 GLN GLN LEU LYS THR LYS TYR ASN ASP GLN VAL ARG PRO SEQRES 2 G 178 ALA LEU MET GLN GLN PHE GLY TYR SER SER VAL MET ALA SEQRES 3 G 178 VAL PRO ARG ILE GLU LYS ILE VAL VAL ASN GLU GLY LEU SEQRES 4 G 178 GLY SER SER LYS GLU ASP SER LYS ALA ILE ASP LYS ALA SEQRES 5 G 178 ALA LYS GLU LEU ALA LEU ILE THR LEU GLN LYS PRO ILE SEQRES 6 G 178 ILE THR LYS ALA LYS LYS SER ILE SER ASN PHE LYS LEU SEQRES 7 G 178 ARG GLN GLY MET PRO VAL GLY ILE LYS VAL THR LEU ARG SEQRES 8 G 178 GLY GLU ARG MET TYR VAL PHE LEU GLU LYS LEU ILE ASN SEQRES 9 G 178 ILE GLY LEU PRO ARG ILE ARG ASP PHE ARG GLY ILE ASN SEQRES 10 G 178 PRO ASN ALA PHE ASP GLY ARG GLY ASN TYR ASN LEU GLY SEQRES 11 G 178 ILE LYS GLU GLN LEU ILE PHE PRO GLU ILE THR TYR ASP SEQRES 12 G 178 MET VAL ASP LYS THR ARG GLY MET ASP ILE THR ILE VAL SEQRES 13 G 178 THR THR ALA LYS THR ASP GLU GLU ALA ARG ALA LEU LEU SEQRES 14 G 178 GLN SER MET GLY LEU PRO PHE ARG LYS SEQRES 1 H 177 GLY LYS GLN PRO ILE ALA VAL PRO SER GLY VAL THR VAL SEQRES 2 H 177 ASN ALA GLN ASP GLY VAL PHE LYS VAL LYS GLY PRO LYS SEQRES 3 H 177 GLY GLU LEU THR VAL PRO TYR ASN THR GLU LEU THR VAL SEQRES 4 H 177 ARG GLN ASP GLY ASP GLN LEU LEU VAL GLU ARG PRO SER SEQRES 5 H 177 ASP ALA GLN LYS HIS ARG ALA LEU HIS GLY LEU THR ARG SEQRES 6 H 177 THR LEU VAL ALA ASN ALA VAL LYS GLY VAL SER ASP GLY SEQRES 7 H 177 TYR THR ILE ASN LEU GLU LEU ARG GLY VAL GLY PHE ARG SEQRES 8 H 177 ALA LYS LEU THR GLY LYS ALA LEU GLU MET ASN ILE GLY SEQRES 9 H 177 TYR SER HIS PRO VAL ILE ILE GLU PRO PRO ALA GLY VAL SEQRES 10 H 177 THR PHE ALA VAL PRO GLU PRO THR ARG ILE ASP VAL SER SEQRES 11 H 177 GLY ILE ASP LYS GLN LEU VAL GLY GLN VAL ALA ALA ASN SEQRES 12 H 177 VAL ARG LYS VAL ARG LYS PRO ASP ALA TYR HIS GLY LYS SEQRES 13 H 177 GLY VAL ARG PHE VAL GLY GLU GLN ILE ALA LEU LYS ALA SEQRES 14 H 177 GLY LYS ALA GLY ALA THR GLY GLY SEQRES 1 I 52 MET GLN VAL ILE LEU LEU GLU PRO SER ARG LEU GLY LYS SEQRES 2 I 52 THR GLY GLU VAL VAL SER VAL LYS ASP GLY TYR ALA ARG SEQRES 3 I 52 ASN TRP LEU ILE PRO GLN GLY LEU ALA VAL SER ALA THR SEQRES 4 I 52 ARG THR ASN MET LYS THR LEU GLU ALA GLN LEU ARG SER SEQRES 1 J 143 MET LYS LYS VAL ALA GLY ILE VAL LYS LEU GLN LEU PRO SEQRES 2 J 143 ALA GLY LYS ALA THR PRO ALA PRO PRO VAL GLY PRO ALA SEQRES 3 J 143 LEU GLY GLN TYR GLY ALA ASN ILE MET GLU PHE THR LYS SEQRES 4 J 143 ALA PHE ASN ALA GLN THR ALA ASP LYS GLY ASP ALA ILE SEQRES 5 J 143 ILE PRO VAL GLU ILE THR ILE TYR ALA ASP ARG SER PHE SEQRES 6 J 143 THR PHE ILE THR LYS THR PRO PRO MET SER TYR LEU ILE SEQRES 7 J 143 ARG LYS ALA ALA GLY ILE GLY LYS GLY SER SER THR PRO SEQRES 8 J 143 ASN LYS ALA LYS VAL GLY LYS LEU ASN TRP ASP GLN VAL SEQRES 9 J 143 LEU GLU ILE ALA LYS THR LYS MET PRO ASP LEU ASN ALA SEQRES 10 J 143 GLY SER VAL GLU ALA ALA ALA ASN THR VAL ALA GLY THR SEQRES 11 J 143 ALA ARG SER MET GLY VAL THR VAL GLU GLY GLY PRO ASN SEQRES 1 K 143 VAL LYS THR TYR ILE PRO LYS ASN ASP GLU GLN ASN TRP SEQRES 2 K 143 VAL VAL VAL ASP ALA SER GLY VAL PRO LEU GLY ARG LEU SEQRES 3 K 143 ALA THR LEU ILE ALA SER ARG ILE ARG GLY LYS HIS ARG SEQRES 4 K 143 PRO ASP PHE THR PRO ASN MET ILE GLN GLY ASP PHE VAL SEQRES 5 K 143 VAL VAL ILE ASN ALA ALA GLN VAL ALA LEU THR GLY LYS SEQRES 6 K 143 LYS LEU ASP ASP LYS VAL TYR THR ARG TYR THR GLY TYR SEQRES 7 K 143 GLN GLY GLY LEU LYS THR GLU THR ALA ARG GLU ALA LEU SEQRES 8 K 143 SER LYS HIS PRO GLU ARG VAL ILE GLU HIS ALA VAL PHE SEQRES 9 K 143 GLY MET LEU PRO LYS GLY ARG GLN GLY ARG ALA MET HIS SEQRES 10 K 143 THR ARG LEU LYS VAL TYR ALA GLY GLU THR HIS PRO HIS SEQRES 11 K 143 SER ALA GLN LYS PRO GLN VAL LEU LYS THR GLN PRO LEU SEQRES 1 L 132 ILE MET PRO GLN SER ARG LEU ASP VAL ALA ASP ASN SER SEQRES 2 L 132 GLY ALA ARG GLU ILE MET CYS ILE ARG VAL LEU ASN SER SEQRES 3 L 132 GLY ILE GLY GLY LYS GLY LEU THR THR GLY GLY GLY GLY SEQRES 4 L 132 ASN LYS ARG TYR ALA HIS VAL GLY ASP ILE ILE VAL ALA SEQRES 5 L 132 SER VAL LYS ASP ALA ALA PRO ARG GLY ALA VAL LYS ALA SEQRES 6 L 132 GLY ASP VAL VAL LYS ALA VAL VAL VAL ARG THR SER HIS SEQRES 7 L 132 ALA ILE LYS ARG ALA ASP GLY SER THR ILE ARG PHE ASP SEQRES 8 L 132 ARG ASN ALA ALA VAL ILE ILE ASN ASN GLN GLY GLU PRO SEQRES 9 L 132 ARG GLY THR ARG VAL PHE GLY PRO VAL ALA ARG GLU LEU SEQRES 10 L 132 ARG ASP ARG ARG PHE MET LYS ILE VAL SER LEU ALA PRO SEQRES 11 L 132 GLU VAL SEQRES 1 M 141 HIS ASP LEU LYS PRO THR PRO GLY SER ARG LYS ASP ARG SEQRES 2 M 141 LYS ARG VAL GLY ARG GLY PRO GLY GLY THR ASP LYS THR SEQRES 3 M 141 ALA GLY ARG GLY HIS LYS GLY GLN LYS SER ARG SER GLY SEQRES 4 M 141 ALA GLY LYS GLY ALA PHE PHE GLU GLY GLY ARG SER ARG SEQRES 5 M 141 LEU ILE ALA ARG LEU PRO LYS ARG GLY PHE ASN ASN VAL SEQRES 6 M 141 GLY THR THR TYR GLU VAL VAL LYS LEU SER GLN LEU GLN SEQRES 7 M 141 ASP LEU GLU ASP THR THR PHE ASP ARG ASP THR LEU GLU SEQRES 8 M 141 ALA TYR ARG LEU VAL ARG ARG LYS ASN ARG PRO VAL LYS SEQRES 9 M 141 LEU LEU ALA SER GLY GLU ILE SER ARG ALA VAL THR VAL SEQRES 10 M 141 HIS VAL ASP ALA ALA SER ALA ALA ALA ILE LYS ALA VAL SEQRES 11 M 141 GLU ALA ALA GLY GLY ARG VAL VAL LEU PRO GLU SEQRES 1 N 124 THR LYS PHE ARG LYS GLN PHE ARG GLY ARG MET THR GLY SEQRES 2 N 124 ASP ALA LYS GLY GLY ASP TYR VAL ALA PHE GLY ASP TYR SEQRES 3 N 124 GLY LEU ILE ALA MET GLU PRO ALA TRP ILE LYS SER ASN SEQRES 4 N 124 GLN ILE GLU ALA CYS ARG ILE VAL MET SER ARG HIS PHE SEQRES 5 N 124 ARG ARG GLY GLY LYS ILE TYR ILE ARG ILE PHE PRO ASP SEQRES 6 N 124 LYS PRO VAL THR LYS LYS PRO ALA GLU THR ARG MET GLY SEQRES 7 N 124 LYS GLY LYS GLY ALA VAL GLU TYR TRP VAL SER VAL VAL SEQRES 8 N 124 LYS PRO GLY ARG VAL MET PHE GLU VAL ALA GLY VAL THR SEQRES 9 N 124 GLU GLU GLN ALA LYS GLU ALA PHE ARG LEU ALA GLY HIS SEQRES 10 N 124 LYS LEU PRO ILE GLN THR LYS SEQRES 1 O 114 HIS GLY LYS ALA GLY ARG LYS LEU ASN ARG ASN SER SER SEQRES 2 O 114 ALA ARG VAL ALA LEU ALA ARG ALA GLN ALA THR ALA LEU SEQRES 3 O 114 LEU ARG GLU GLY ARG ILE GLN THR THR LEU THR LYS ALA SEQRES 4 O 114 LYS GLU LEU ARG PRO PHE VAL GLU GLN LEU ILE THR THR SEQRES 5 O 114 ALA LYS GLY GLY ASP LEU HIS SER ARG ARG LEU VAL ALA SEQRES 6 O 114 GLN ASP ILE HIS ASP LYS ASP VAL VAL ARG LYS VAL MET SEQRES 7 O 114 ASP GLU VAL ALA PRO LYS TYR ALA GLU ARG PRO GLY GLY SEQRES 8 O 114 TYR THR ARG ILE LEU ARG VAL GLY THR ARG ARG GLY ASP SEQRES 9 O 114 GLY VAL THR MET ALA LEU ILE GLU LEU VAL SEQRES 1 P 111 ALA THR THR ILE ARG ARG LYS LEU ARG THR ARG ARG LYS SEQRES 2 P 111 VAL ARG THR THR THR ALA ALA SER GLY ARG LEU ARG LEU SEQRES 3 P 111 SER VAL TYR ARG SER SER LYS HIS ILE TYR ALA GLN ILE SEQRES 4 P 111 ILE ASP ASP SER ARG GLY GLN THR LEU ALA ALA ALA SER SEQRES 5 P 111 SER ALA ALA LEU LYS SER GLY ASN LYS THR ASP THR ALA SEQRES 6 P 111 ALA ALA VAL GLY LYS ALA LEU ALA ALA ALA ALA ALA GLU SEQRES 7 P 111 LYS GLY ILE LYS GLN VAL VAL PHE ASP ARG GLY SER TYR SEQRES 8 P 111 LYS TYR HIS GLY ARG VAL LYS ALA LEU ALA ASP ALA ALA SEQRES 9 P 111 ARG GLU GLY GLY LEU ASP PHE SEQRES 1 Q 125 GLN THR HIS ILE LYS ILE ASN ARG GLY GLU LEU LEU ARG SEQRES 2 Q 125 GLY ILE GLU GLN ASP HIS THR ARG GLN LEU PRO ASP PHE SEQRES 3 Q 125 ARG PRO GLY ASP THR VAL ARG VAL ASP THR LYS VAL ARG SEQRES 4 Q 125 GLU GLY ASN ARG THR ARG SER GLN ALA PHE GLU GLY VAL SEQRES 5 Q 125 VAL ILE ALA ILE ASN GLY SER GLY SER ARG LYS SER PHE SEQRES 6 Q 125 THR VAL ARG LYS ILE SER PHE GLY GLU GLY VAL GLU ARG SEQRES 7 Q 125 VAL PHE PRO PHE ALA SER PRO LEU VAL ASN GLN VAL THR SEQRES 8 Q 125 ILE VAL GLU ARG GLY LYS VAL ARG ARG ALA LYS LEU TYR SEQRES 9 Q 125 TYR LEU ARG GLU LEU ARG GLY LYS ALA ALA ARG ILE LYS SEQRES 10 Q 125 SER ASP ARG SER ARG VAL MET LYS SEQRES 1 R 117 PRO ARG ALA LYS THR GLY ILE VAL ARG ARG ARG ARG HIS SEQRES 2 R 117 LYS LYS VAL LEU LYS ARG ALA LYS GLY PHE TRP GLY SER SEQRES 3 R 117 ARG SER LYS GLN TYR ARG ASN ALA PHE GLN THR LEU LEU SEQRES 4 R 117 ASN ALA ALA THR TYR GLU TYR ARG ASP ARG ARG ASN LYS SEQRES 5 R 117 LYS ARG ASP PHE ARG ARG LEU TRP ILE GLN ARG ILE ASN SEQRES 6 R 117 ALA GLY ALA ARG LEU HIS GLY MET ASN TYR SER THR PHE SEQRES 7 R 117 ILE ASN GLY LEU LYS ARG ALA ASN ILE ASP LEU ASN ARG SEQRES 8 R 117 LYS VAL LEU ALA ASP ILE ALA ALA ARG GLU PRO GLU ALA SEQRES 9 R 117 PHE LYS ALA LEU VAL ASP ALA SER ARG ASN ALA ARG GLN SEQRES 1 S 100 MET PHE ALA ILE ILE GLN THR GLY GLY LYS GLN TYR ARG SEQRES 2 S 100 VAL SER GLU GLY ASP VAL ILE ARG VAL GLU SER LEU GLN SEQRES 3 S 100 GLY GLU ALA GLY ASP LYS VAL GLU LEU LYS ALA LEU PHE SEQRES 4 S 100 VAL GLY GLY GLU GLN THR VAL PHE GLY GLU ASP ALA GLY SEQRES 5 S 100 LYS TYR THR VAL GLN ALA GLU VAL VAL GLU HIS GLY ARG SEQRES 6 S 100 GLY LYS LYS ILE TYR ILE ARG LYS TYR LYS SER GLY VAL SEQRES 7 S 100 GLN TYR ARG ARG ARG THR GLY HIS ARG GLN ASN PHE THR SEQRES 8 S 100 ALA ILE LYS ILE LEU GLY ILE GLN GLY SEQRES 1 T 130 GLU GLN THR PHE ARG ASN LYS LYS GLN ARG LYS GLN GLN SEQRES 2 T 130 VAL LYS LEU ARG LYS PRO GLY PHE ALA VAL ALA LYS TYR SEQRES 3 T 130 VAL ARG MET SER PRO ARG LYS VAL ARG LEU VAL VAL ASP SEQRES 4 T 130 VAL ILE ARG GLY LYS SER VAL GLN ASP ALA GLU ASP LEU SEQRES 5 T 130 LEU ARG PHE ILE PRO ARG SER ALA SER GLU PRO VAL ALA SEQRES 6 T 130 LYS VAL LEU ASN SER ALA LYS ALA ASN ALA LEU HIS ASN SEQRES 7 T 130 ASP GLU MET LEU GLU ASP ARG LEU PHE VAL LYS GLU ALA SEQRES 8 T 130 TYR VAL ASP ALA GLY PRO THR LEU LYS ARG LEU ILE PRO SEQRES 9 T 130 ARG ALA ARG GLY SER ALA ASN ILE ILE LYS LYS ARG THR SEQRES 10 T 130 SER HIS ILE THR ILE ILE VAL ALA GLU LYS GLY ASN LYS SEQRES 1 U 93 SER HIS TYR ASP ILE LEU GLN ALA PRO VAL ILE SER GLU SEQRES 2 U 93 LYS ALA TYR SER ALA MET GLU ARG GLY VAL TYR SER PHE SEQRES 3 U 93 TRP VAL SER PRO LYS ALA THR LYS THR GLU ILE LYS ASP SEQRES 4 U 93 ALA ILE GLN GLN ALA PHE GLY VAL ARG VAL ILE GLY ILE SEQRES 5 U 93 SER THR MET ASN VAL PRO GLY LYS ARG LYS ARG VAL GLY SEQRES 6 U 93 ARG PHE ILE GLY GLN ARG ASN ASP ARG LYS LYS ALA ILE SEQRES 7 U 93 VAL ARG LEU ALA GLU GLY GLN SER ILE GLU ALA LEU ALA SEQRES 8 U 93 GLY GLN SEQRES 1 V 113 PRO ARG PRO SER ALA GLY SER HIS HIS ASN ASP LYS LEU SEQRES 2 V 113 HIS PHE LYS LYS GLY ASP THR VAL ILE VAL LEU SER GLY SEQRES 3 V 113 LYS HIS LYS GLY GLN THR GLY LYS VAL LEU LEU ALA LEU SEQRES 4 V 113 PRO ARG ASP GLN LYS VAL VAL VAL GLU GLY VAL ASN VAL SEQRES 5 V 113 ILE THR LYS ASN VAL LYS PRO SER MET THR ASN PRO GLN SEQRES 6 V 113 GLY GLY GLN GLU GLN ARG GLU LEU ALA LEU HIS ALA SER SEQRES 7 V 113 LYS VAL ALA LEU VAL ASP PRO GLU THR GLY LYS ALA THR SEQRES 8 V 113 ARG VAL ARG LYS GLN ILE VAL ASP GLY LYS LYS VAL ARG SEQRES 9 V 113 VAL ALA VAL ALA SER GLY LYS THR ILE SEQRES 1 W 173 MET GLU LEU THR ALA LYS PRO ARG THR PRO LYS GLN LYS SEQRES 2 W 173 LEU ASP GLU SER MET ILE ALA ALA VAL ALA TYR ASN LYS SEQRES 3 W 173 GLU ASN ASN VAL SER PHE ALA LEU ASP ARG LYS ALA PHE SEQRES 4 W 173 ASP ARG ALA PHE ARG GLN GLN SER THR THR GLY LEU PHE SEQRES 5 W 173 ASP ILE THR VAL GLU GLY GLY GLU THR PHE PRO ALA LEU SEQRES 6 W 173 VAL LYS ALA VAL GLN MET ASP LYS ARG LYS ARG ALA PRO SEQRES 7 W 173 ILE HIS VAL ASP PHE TYR MET VAL THR TYR GLY GLU PRO SEQRES 8 W 173 VAL GLU VAL SER VAL PRO VAL HIS THR THR GLY ARG SER SEQRES 9 W 173 GLN GLY GLU VAL GLN GLY GLY LEU VAL ASP ILE VAL VAL SEQRES 10 W 173 HIS ASN LEU GLN ILE VAL ALA PRO GLY PRO ARG ARG ILE SEQRES 11 W 173 PRO GLN GLU LEU VAL VAL ASP VAL THR LYS MET ASN ILE SEQRES 12 W 173 GLY ASP HIS ILE THR ALA GLY ASP ILE LYS LEU PRO GLU SEQRES 13 W 173 GLY CYS THR LEU ALA ALA ASP PRO GLU LEU THR VAL VAL SEQRES 14 W 173 SER VAL LEU PRO SEQRES 1 X 86 ALA HIS LYS LYS GLY VAL GLY SER SER LYS ASN GLY ARG SEQRES 2 X 86 ASP SER ASN PRO LYS TYR LEU GLY VAL LYS LYS PHE GLY SEQRES 3 X 86 GLY GLU VAL VAL LYS ALA GLY ASN ILE LEU VAL ARG GLN SEQRES 4 X 86 ARG GLY THR LYS PHE LYS ALA GLY GLN GLY VAL GLY MET SEQRES 5 X 86 GLY ARG ASP HIS THR LEU PHE ALA LEU SER ASP GLY LYS SEQRES 6 X 86 VAL VAL PHE ILE ASN LYS GLY LYS GLY ALA ARG PHE ILE SEQRES 7 X 86 SER ILE GLU ALA ALA GLN THR GLU SEQRES 1 Y 65 LYS PRO SER GLU MET ARG ASN LEU GLN ALA THR ASP PHE SEQRES 2 Y 65 ALA LYS GLU ILE ASP ALA ARG LYS LYS GLU LEU MET GLU SEQRES 3 Y 65 LEU ARG PHE GLN ALA ALA ALA GLY GLN LEU ALA GLN PRO SEQRES 4 Y 65 HIS ARG VAL ARG GLN LEU ARG ARG GLU VAL ALA GLN LEU SEQRES 5 Y 65 ASN THR VAL LYS ALA GLU LEU ALA ARG LYS GLY GLU GLN SEQRES 1 Z 55 MET LYS ILE LYS LEU VAL ARG SER VAL ILE GLY ARG PRO SEQRES 2 Z 55 GLY ASN GLN VAL LYS THR VAL GLN ALA LEU GLY LEU ARG SEQRES 3 Z 55 LYS ILE GLY ASP SER ARG GLU VAL SER ASP THR PRO ALA SEQRES 4 Z 55 VAL ARG GLY MET VAL LYS THR VAL LYS HIS LEU LEU GLU SEQRES 5 Z 55 VAL GLN GLU SEQRES 1 1 73 MET GLN LYS ASP LEU HIS PRO LYS ALA VAL PRO CYS LYS SEQRES 2 1 73 ILE ILE TYR GLN GLY GLN VAL VAL MET GLU THR MET SER SEQRES 3 1 73 THR ARG PRO GLU ILE HIS VAL ASP VAL TRP SER GLY VAL SEQRES 4 1 73 HIS PRO PHE TRP THR GLY GLU GLU ARG PHE LEU ASP THR SEQRES 5 1 73 GLU GLY ARG VAL ASP LYS PHE ASN LYS ARG PHE GLY ASP SEQRES 6 1 73 SER TYR ARG ARG GLY SER LYS LYS SEQRES 1 2 58 ALA LYS HIS PRO VAL PRO LYS LYS LYS THR SER LYS SER SEQRES 2 2 58 LYS ARG ASP MET ARG ARG SER HIS HIS ALA LEU THR ALA SEQRES 3 2 58 PRO ASN LEU THR GLU CYS PRO GLN CYS HIS GLY LYS LYS SEQRES 4 2 58 LEU SER HIS HIS ILE CYS PRO ASN CYS GLY TYR TYR ASP SEQRES 5 2 58 GLY ARG GLN VAL LEU ALA SEQRES 1 3 53 ALA LYS ASP GLY PRO ARG ILE ILE VAL LYS MET GLU SER SEQRES 2 3 53 SER ALA GLY THR GLY PHE TYR TYR THR THR THR LYS ASN SEQRES 3 3 53 ARG ARG ASN THR GLN ALA LYS LEU GLU LEU LYS LYS TYR SEQRES 4 3 53 ASP PRO VAL ALA LYS LYS HIS VAL VAL PHE ARG GLU LYS SEQRES 5 3 53 LYS SEQRES 1 4 46 MET LYS ARG THR TYR GLN PRO ASN ASN ARG LYS ARG ALA SEQRES 2 4 46 LYS THR HIS GLY PHE ARG ALA ARG MET LYS THR LYS SER SEQRES 3 4 46 GLY ARG ASN ILE LEU ALA ARG ARG ARG ALA LYS GLY ARG SEQRES 4 4 46 HIS GLN LEU THR VAL SER ASP SEQRES 1 5 63 PRO LYS MET LYS THR HIS LYS MET ALA LYS ARG ARG ILE SEQRES 2 5 63 LYS ILE THR GLY THR GLY LYS VAL MET ALA PHE LYS SER SEQRES 3 5 63 GLY LYS ARG HIS GLN ASN THR GLY LYS SER GLY ASP GLU SEQRES 4 5 63 ILE ARG GLY LYS GLY LYS GLY PHE VAL LEU ALA LYS ALA SEQRES 5 5 63 GLU TRP ALA ARG MET LYS LEU MET LEU PRO ARG SEQRES 1 6 35 LYS VAL ARG SER SER VAL LYS LYS MET CYS ASP ASN CYS SEQRES 2 6 35 LYS VAL VAL ARG ARG HIS GLY ARG VAL LEU VAL ILE CYS SEQRES 3 6 35 SER ASN VAL LYS HIS LYS GLN ARG GLN SEQRES 1 7 217 MET LEU ALA ASP LYS GLU SER LEU ILE GLU ALA LEU LYS SEQRES 2 7 217 LEU ALA LEU SER THR GLU TYR ASN VAL LYS ARG ASN PHE SEQRES 3 7 217 THR GLN SER VAL GLU ILE ILE LEU THR PHE LYS GLY ILE SEQRES 4 7 217 ASP MSE LYS LYS GLY ASP LEU LYS LEU ARG GLU ILE VAL SEQRES 5 7 217 PRO LEU PRO LYS GLN PRO SER LYS ALA LYS ARG VAL LEU SEQRES 6 7 217 VAL VAL PRO SER SER GLU GLN LEU GLU TYR ALA LYS LYS SEQRES 7 7 217 ALA SER PRO LYS VAL VAL ILE THR ARG GLU GLU LEU GLN SEQRES 8 7 217 LYS LEU GLN GLY GLN LYS ARG PRO VAL LYS LYS LEU ALA SEQRES 9 7 217 ARG GLN ASN GLU TRP PHE LEU ILE ASN GLN GLU SER MSE SEQRES 10 7 217 ALA LEU ALA GLY ARG ILE LEU GLY PRO ALA LEU GLY PRO SEQRES 11 7 217 ARG GLY LYS PHE PRO THR PRO LEU PRO ASN THR ALA ASP SEQRES 12 7 217 ILE SER GLU TYR ILE ASN ARG PHE LYS ARG SER VAL LEU SEQRES 13 7 217 VAL LYS THR LYS ASP GLN PRO GLN VAL GLN VAL PHE ILE SEQRES 14 7 217 GLY THR GLU ASP MSE LYS PRO GLU ASP LEU ALA GLU ASN SEQRES 15 7 217 ALA ILE ALA VAL LEU ASN ALA ILE GLU ASN LYS ALA LYS SEQRES 16 7 217 VAL GLU THR ASN LEU ARG ASN ILE TYR VAL LYS THR THR SEQRES 17 7 217 MSE GLY LYS ALA VAL LYS VAL LYS ARG MODRES 1VOR MSE 7 41 MET SELENOMETHIONINE MODRES 1VOR MSE 7 117 MET SELENOMETHIONINE MODRES 1VOR MSE 7 174 MET SELENOMETHIONINE MODRES 1VOR MSE 7 209 MET SELENOMETHIONINE HET MSE 7 41 8 HET MSE 7 117 8 HET MSE 7 174 8 HET MSE 7 209 8 HETNAM MSE SELENOMETHIONINE FORMUL 32 MSE 4(C5 H11 N1 O2 SE1) HELIX 1 1 LYS E 61 GLY E 65 5 5 HELIX 2 2 GLY E 115 ASN E 121 1 7 HELIX 3 3 LEU F 102 ALA F 107 1 6 HELIX 4 4 ILE F 108 ALA F 109 5 2 HELIX 5 5 SER F 110 GLY F 114 5 5 HELIX 6 6 ASN F 176 ILE F 180 5 5 HELIX 7 7 LYS G 5 ASP G 10 1 6 HELIX 8 8 ARG G 13 GLY G 21 1 9 HELIX 9 9 ALA G 49 LEU G 59 5 11 HELIX 10 10 THR G 162 ARG G 167 1 6 HELIX 11 11 ALA G 168 MET G 173 1 6 HELIX 12 12 VAL H 72 LYS H 77 1 6 HELIX 13 13 THR J 71 TYR J 76 5 6 HELIX 14 14 ALA J 131 GLY J 135 5 5 HELIX 15 15 ALA K 115 LEU K 119 5 5 HELIX 16 16 GLN N 47 CYS N 51 5 5 HELIX 17 17 ARG N 52 SER N 56 5 5 HELIX 18 18 GLU N 112 LYS N 116 5 5 HELIX 19 19 LYS O 40 LEU O 44 5 5 HELIX 20 20 ALA O 84 ALA O 88 5 5 HELIX 21 21 THR P 67 LEU P 75 1 9 HELIX 22 22 VAL P 100 ASP P 105 1 6 HELIX 23 23 ARG R 11 LEU R 18 1 8 HELIX 24 24 LYS R 19 ALA R 21 5 3 HELIX 25 25 ARG R 51 ASP R 56 5 6 HELIX 26 26 GLN R 63 GLY R 68 1 6 HELIX 27 27 ASN R 75 THR R 78 5 4 HELIX 28 28 PHE R 79 LYS R 84 1 6 HELIX 29 29 MET T 33 VAL T 38 1 6 HELIX 30 30 ARG T 39 VAL T 42 5 4 HELIX 31 31 ASN T 73 ALA T 79 1 7 HELIX 32 32 LYS U 39 GLN U 43 5 5 HELIX 33 33 GLY V 7 ASN V 11 5 5 HELIX 34 34 ASP V 100 VAL V 104 5 5 HELIX 35 35 PRO W 10 LEU W 14 5 5 HELIX 36 36 SER Y 4 ASN Y 8 5 5 HELIX 37 37 ASP Y 13 ALA Y 20 5 8 HELIX 38 38 PRO Z 13 LYS Z 18 1 6 HELIX 39 39 THR 4 24 ALA 4 32 1 9 HELIX 40 40 ASP 5 39 GLY 5 43 5 5 HELIX 41 41 LEU 7 73 LYS 7 77 5 5 HELIX 42 42 LYS 7 97 LYS 7 101 5 5 HELIX 43 43 ALA 7 120 GLY 7 125 1 6 HELIX 44 44 SER 7 145 ARG 7 153 1 9 HELIX 45 45 LYS 7 175 LEU 7 179 5 5 HELIX 46 46 ASN 7 182 VAL 7 186 5 5 SHEET 1 A 2 VAL D 173 ILE D 174 0 SHEET 2 A 2 VAL D 185 HIS D 186 -1 O VAL D 185 N ILE D 174 SHEET 1 B 2 VAL E 23 THR E 24 0 SHEET 2 B 2 LEU E 183 VAL E 184 -1 O VAL E 184 N VAL E 23 SHEET 1 C 2 ASP E 103 ALA E 104 0 SHEET 2 C 2 GLN E 168 ASN E 169 -1 N GLN E 168 O ALA E 104 CISPEP 1 ARG D 7 PRO D 8 0 0.73 CISPEP 2 LYS Y 2 PRO Y 3 0 -0.09 CRYST1 687.900 687.900 1933.300 90.00 90.00 90.00 I 4 2 2 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.001454 0.000000 0.000000 0.00000 SCALE2 0.000000 0.001454 0.000000 0.00000 SCALE3 0.000000 0.000000 0.000517 0.00000 ATOM 1 P G B 1 -912.331-116.789 94.754 1.00857.06 P ATOM 2 O1P G B 1 -912.129-115.481 94.006 1.00857.06 O ATOM 3 O2P G B 1 -912.148-116.648 96.255 1.00857.06 O ATOM 4 O5* G B 1 -911.150-117.791 94.241 1.00857.06 O ATOM 5 C5* G B 1 -911.457-119.089 93.702 1.00857.06 C ATOM 6 C4* G B 1 -911.085-120.175 94.685 1.00857.06 C ATOM 7 O4* G B 1 -911.519-121.460 94.177 1.00857.06 O ATOM 8 C3* G B 1 -909.603-120.357 94.928 1.00857.06 C ATOM 9 O3* G B 1 -909.119-119.425 95.888 1.00857.06 O ATOM 10 C2* G B 1 -909.511-121.799 95.404 1.00857.06 C ATOM 11 O2* G B 1 -909.807-121.941 96.777 1.00857.06 O ATOM 12 C1* G B 1 -910.601-122.465 94.564 1.00857.06 C ATOM 13 N9 G B 1 -910.053-123.055 93.345 1.00857.06 N ATOM 14 C8 G B 1 -910.192-122.562 92.069 1.00857.06 C ATOM 15 N7 G B 1 -909.576-123.281 91.173 1.00857.06 N ATOM 16 C5 G B 1 -909.000-124.315 91.899 1.00857.06 C ATOM 17 C6 G B 1 -908.202-125.406 91.466 1.00857.06 C ATOM 18 O6 G B 1 -907.833-125.683 90.318 1.00857.06 O ATOM 19 N1 G B 1 -907.830-126.218 92.530 1.00857.06 N ATOM 20 C2 G B 1 -908.175-126.012 93.841 1.00857.06 C ATOM 21 N2 G B 1 -907.719-126.913 94.722 1.00857.06 N ATOM 22 N3 G B 1 -908.919-124.997 94.261 1.00857.06 N ATOM 23 C4 G B 1 -909.291-124.193 93.241 1.00857.06 C ATOM 24 P G B 2 -907.596-118.909 95.797 1.00857.06 P ATOM 25 O1P G B 2 -907.372-117.973 96.929 1.00857.06 O ATOM 26 O2P G B 2 -907.343-118.457 94.407 1.00857.06 O ATOM 27 O5* G B 2 -906.726-120.222 96.062 1.00857.06 O ATOM 28 C5* G B 2 -906.861-120.948 97.276 1.00857.06 C ATOM 29 C4* G B 2 -906.238-122.319 97.151 1.00857.06 C ATOM 30 O4* G B 2 -906.886-123.051 96.078 1.00857.06 O ATOM 31 C3* G B 2 -904.765-122.342 96.781 1.00857.06 C ATOM 32 O3* G B 2 -903.926-122.185 97.916 1.00857.06 O ATOM 33 C2* G B 2 -904.599-123.718 96.149 1.00857.06 C ATOM 34 O2* G B 2 -904.420-124.739 97.107 1.00857.06 O ATOM 35 C1* G B 2 -905.945-123.901 95.447 1.00857.06 C ATOM 36 N9 G B 2 -905.863-123.545 94.035 1.00857.06 N ATOM 37 C8 G B 2 -906.411-122.451 93.410 1.00857.06 C ATOM 38 N7 G B 2 -906.130-122.395 92.136 1.00857.06 N ATOM 39 C5 G B 2 -905.354-123.523 91.904 1.00857.06 C ATOM 40 C6 G B 2 -904.749-124.001 90.709 1.00857.06 C ATOM 41 O6 G B 2 -904.774-123.505 89.579 1.00857.06 O ATOM 42 N1 G B 2 -904.055-125.186 90.928 1.00857.06 N ATOM 43 C2 G B 2 -903.951-125.830 92.135 1.00857.06 C ATOM 44 N2 G B 2 -903.239-126.967 92.143 1.00857.06 N ATOM 45 N3 G B 2 -904.505-125.396 93.252 1.00857.06 N ATOM 46 C4 G B 2 -905.188-124.244 93.065 1.00857.06 C ATOM 47 P U B 3 -902.395-121.728 97.717 1.00857.06 P ATOM 48 O1P U B 3 -901.789-121.594 99.063 1.00857.06 O ATOM 49 O2P U B 3 -902.376-120.571 96.783 1.00857.06 O ATOM 50 O5* U B 3 -901.708-122.964 96.983 1.00857.06 O ATOM 51 C5* U B 3 -901.448-124.182 97.678 1.00857.06 C ATOM 52 C4* U B 3 -900.257-124.887 97.068 1.00857.06 C ATOM 53 O4* U B 3 -900.699-125.639 95.910 1.00857.06 O ATOM 54 C3* U B 3 -899.120-124.031 96.519 1.00857.06 C ATOM 55 O3* U B 3 -898.208-123.522 97.487 1.00857.06 O ATOM 56 C2* U B 3 -898.445-124.978 95.535 1.00857.06 C ATOM 57 O2* U B 3 -897.568-125.889 96.165 1.00857.06 O ATOM 58 C1* U B 3 -899.648-125.734 94.964 1.00857.06 C ATOM 59 N1 U B 3 -900.119-125.138 93.708 1.00857.06 N ATOM 60 C2 U B 3 -899.491-125.508 92.536 1.00857.06 C ATOM 61 O2 U B 3 -898.582-126.319 92.497 1.00857.06 O ATOM 62 N3 U B 3 -899.970-124.891 91.406 1.00857.06 N ATOM 63 C4 U B 3 -900.990-123.965 91.334 1.00857.06 C ATOM 64 O4 U B 3 -901.293-123.480 90.244 1.00857.06 O ATOM 65 C5 U B 3 -901.596-123.644 92.589 1.00857.06 C ATOM 66 C6 U B 3 -901.150-124.228 93.704 1.00857.06 C ATOM 67 P C B 4 -897.532-122.076 97.259 1.00857.06 P ATOM 68 O1P C B 4 -896.547-121.872 98.349 1.00857.06 O ATOM 69 O2P C B 4 -898.618-121.088 97.054 1.00857.06 O ATOM 70 O5* C B 4 -896.736-122.235 95.886 1.00857.06 O ATOM 71 C5* C B 4 -895.602-123.089 95.801 1.00857.06 C ATOM 72 C4* C B 4 -894.964-122.986 94.434 1.00857.06 C ATOM 73 O4* C B 4 -895.868-123.525 93.437 1.00857.06 O ATOM 74 C3* C B 4 -894.599-121.601 93.903 1.00857.06 C ATOM 75 O3* C B 4 -893.360-121.095 94.389 1.00857.06 O ATOM 76 C2* C B 4 -894.550-121.839 92.397 1.00857.06 C ATOM 77 O2* C B 4 -893.326-122.406 91.977 1.00857.06 O ATOM 78 C1* C B 4 -895.666-122.863 92.200 1.00857.06 C ATOM 79 N1 C B 4 -896.936-122.239 91.784 1.00857.06 N ATOM 80 C2 C B 4 -897.133-121.965 90.428 1.00857.06 C ATOM 81 O2 C B 4 -896.238-122.265 89.621 1.00857.06 O ATOM 82 N3 C B 4 -898.286-121.380 90.032 1.00857.06 N ATOM 83 C4 C B 4 -899.220-121.075 90.933 1.00857.06 C ATOM 84 N4 C B 4 -900.342-120.495 90.496 1.00857.06 N ATOM 85 C5 C B 4 -899.049-121.349 92.323 1.00857.06 C ATOM 86 C6 C B 4 -897.901-121.928 92.699 1.00857.06 C ATOM 87 P A B 5 -893.101-119.507 94.407 1.00857.06 P ATOM 88 O1P A B 5 -891.742-119.280 94.961 1.00857.06 O ATOM 89 O2P A B 5 -894.269-118.846 95.041 1.00857.06 O ATOM 90 O5* A B 5 -893.078-119.107 92.866 1.00857.06 O ATOM 91 C5* A B 5 -892.008-119.519 92.023 1.00857.06 C ATOM 92 C4* A B 5 -892.282-119.119 90.592 1.00857.06 C ATOM 93 O4* A B 5 -893.486-119.780 90.117 1.00857.06 O ATOM 94 C3* A B 5 -892.569-117.658 90.296 1.00857.06 C ATOM 95 O3* A B 5 -891.378-116.889 90.271 1.00857.06 O ATOM 96 C2* A B 5 -893.267-117.725 88.940 1.00857.06 C ATOM 97 O2* A B 5 -892.356-117.831 87.864 1.00857.06 O ATOM 98 C1* A B 5 -894.072-119.018 89.073 1.00857.06 C ATOM 99 N9 A B 5 -895.461-118.738 89.439 1.00857.06 N ATOM 100 C8 A B 5 -896.017-118.730 90.693 1.00857.06 C ATOM 101 N7 A B 5 -897.287-118.402 90.707 1.00857.06 N ATOM 102 C5 A B 5 -897.588-118.189 89.370 1.00857.06 C ATOM 103 C6 A B 5 -898.775-117.804 88.714 1.00857.06 C ATOM 104 N6 A B 5 -899.928-117.558 89.346 1.00857.06 N ATOM 105 N1 A B 5 -898.737-117.680 87.372 1.00857.06 N ATOM 106 C2 A B 5 -897.582-117.920 86.737 1.00857.06 C ATOM 107 N3 A B 5 -896.406-118.284 87.239 1.00857.06 N ATOM 108 C4 A B 5 -896.477-118.402 88.574 1.00857.06 C ATOM 109 P A B 6 -891.271-115.577 91.192 1.00857.06 P ATOM 110 O1P A B 6 -890.168-115.788 92.160 1.00857.06 O ATOM 111 O2P A B 6 -892.631-115.247 91.688 1.00857.06 O ATOM 112 O5* A B 6 -890.829-114.438 90.172 1.00857.06 O ATOM 113 C5* A B 6 -889.822-114.690 89.202 1.00857.06 C ATOM 114 C4* A B 6 -890.386-114.565 87.809 1.00857.06 C ATOM 115 O4* A B 6 -891.540-115.429 87.663 1.00857.06 O ATOM 116 C3* A B 6 -890.902-113.189 87.438 1.00857.06 C ATOM 117 O3* A B 6 -889.863-112.313 87.026 1.00857.06 O ATOM 118 C2* A B 6 -891.882-113.497 86.317 1.00857.06 C ATOM 119 O2* A B 6 -891.244-113.681 85.067 1.00857.06 O ATOM 120 C1* A B 6 -892.482-114.820 86.793 1.00857.06 C ATOM 121 N9 A B 6 -893.703-114.579 87.553 1.00857.06 N ATOM 122 C8 A B 6 -893.828-114.290 88.889 1.00857.06 C ATOM 123 N7 A B 6 -895.062-114.090 89.272 1.00857.06 N ATOM 124 C5 A B 6 -895.806-114.260 88.111 1.00857.06 C ATOM 125 C6 A B 6 -897.179-114.172 87.847 1.00857.06 C ATOM 126 N6 A B 6 -898.094-113.874 88.775 1.00857.06 N ATOM 127 N1 A B 6 -897.593-114.398 86.582 1.00857.06 N ATOM 128 C2 A B 6 -896.673-114.690 85.653 1.00857.06 C ATOM 129 N3 A B 6 -895.355-114.800 85.777 1.00857.06 N ATOM 130 C4 A B 6 -894.979-114.569 87.048 1.00857.06 C ATOM 131 P G B 7 -890.099-110.726 87.101 1.00857.06 P ATOM 132 O1P G B 7 -888.831-110.063 86.712 1.00857.06 O ATOM 133 O2P G B 7 -890.723-110.409 88.415 1.00857.06 O ATOM 134 O5* G B 7 -891.179-110.448 85.961 1.00857.06 O ATOM 135 C5* G B 7 -890.855-110.686 84.598 1.00857.06 C ATOM 136 C4* G B 7 -892.109-110.802 83.766 1.00857.06 C ATOM 137 O4* G B 7 -892.965-111.854 84.280 1.00857.06 O ATOM 138 C3* G B 7 -892.989-109.570 83.706 1.00857.06 C ATOM 139 O3* G B 7 -892.535-108.640 82.737 1.00857.06 O ATOM 140 C2* G B 7 -894.351-110.157 83.349 1.00857.06 C ATOM 141 O2* G B 7 -894.492-110.408 81.967 1.00857.06 O ATOM 142 C1* G B 7 -894.323-111.482 84.109 1.00857.06 C ATOM 143 N9 G B 7 -894.937-111.334 85.425 1.00857.06 N ATOM 144 C8 G B 7 -894.301-111.301 86.642 1.00857.06 C ATOM 145 N7 G B 7 -895.122-111.113 87.640 1.00857.06 N ATOM 146 C5 G B 7 -896.373-111.027 87.047 1.00857.06 C ATOM 147 C6 G B 7 -897.655-110.824 87.621 1.00857.06 C ATOM 148 O6 G B 7 -897.952-110.671 88.812 1.00857.06 O ATOM 149 N1 G B 7 -898.653-110.814 86.650 1.00857.06 N ATOM 150 C2 G B 7 -898.446-110.971 85.304 1.00857.06 C ATOM 151 N2 G B 7 -899.537-110.934 84.527 1.00857.06 N ATOM 152 N3 G B 7 -897.261-111.152 84.757 1.00857.06 N ATOM 153 C4 G B 7 -896.276-111.168 85.680 1.00857.06 C ATOM 154 P A B 8 -892.970-107.100 82.856 1.00857.06 P ATOM 155 O1P A B 8 -892.862-106.493 81.511 1.00857.06 O ATOM 156 O2P A B 8 -892.225-106.500 83.990 1.00857.06 O ATOM 157 O5* A B 8 -894.511-107.170 83.247 1.00857.06 O ATOM 158 C5* A B 8 -895.513-106.812 82.298 1.00857.06 C ATOM 159 C4* A B 8 -896.672-106.128 82.988 1.00857.06 C ATOM 160 O4* A B 8 -897.323-107.060 83.893 1.00857.06 O ATOM 161 C3* A B 8 -896.249-104.951 83.872 1.00857.06 C ATOM 162 O3* A B 8 -896.095-103.711 83.195 1.00857.06 O ATOM 163 C2* A B 8 -897.372-104.902 84.901 1.00857.06 C ATOM 164 O2* A B 8 -898.514-104.226 84.425 1.00857.06 O ATOM 165 C1* A B 8 -897.694-106.388 85.085 1.00857.06 C ATOM 166 N9 A B 8 -896.969-106.976 86.207 1.00857.06 N ATOM 167 C8 A B 8 -895.890-107.831 86.181 1.00857.06 C ATOM 168 N7 A B 8 -895.449-108.162 87.370 1.00857.06 N ATOM 169 C5 A B 8 -896.296-107.488 88.240 1.00857.06 C ATOM 170 C6 A B 8 -896.357-107.420 89.647 1.00857.06 C ATOM 171 N6 A B 8 -895.520-108.061 90.465 1.00857.06 N ATOM 172 N1 A B 8 -897.325-106.651 90.197 1.00857.06 N ATOM 173 C2 A B 8 -898.167-106.004 89.382 1.00857.06 C ATOM 174 N3 A B 8 -898.212-105.990 88.052 1.00857.06 N ATOM 175 C4 A B 8 -897.237-106.759 87.537 1.00857.06 C ATOM 176 P U B 9 -894.897-102.723 83.613 1.00857.06 P ATOM 177 O1P U B 9 -894.847-101.633 82.609 1.00857.06 O ATOM 178 O2P U B 9 -893.685-103.544 83.869 1.00857.06 O ATOM 179 O5* U B 9 -895.376-102.101 85.000 1.00857.06 O ATOM 180 C5* U B 9 -896.663-101.502 85.115 1.00857.06 C ATOM 181 C4* U B 9 -897.186-101.640 86.529 1.00857.06 C ATOM 182 O4* U B 9 -897.013-103.010 86.976 1.00857.06 O ATOM 183 C3* U B 9 -896.499-100.809 87.605 1.00857.06 C ATOM 184 O3* U B 9 -897.015 -99.484 87.649 1.00857.06 O ATOM 185 C2* U B 9 -896.824-101.588 88.876 1.00857.06 C ATOM 186 O2* U B 9 -898.119-101.302 89.368 1.00857.06 O ATOM 187 C1* U B 9 -896.781-103.030 88.373 1.00857.06 C ATOM 188 N1 U B 9 -895.472-103.652 88.617 1.00857.06 N ATOM 189 C2 U B 9 -895.199-104.093 89.898 1.00857.06 C ATOM 190 O2 U B 9 -896.002-104.011 90.812 1.00857.06 O ATOM 191 N3 U B 9 -893.950-104.638 90.069 1.00857.06 N ATOM 192 C4 U B 9 -892.970-104.782 89.109 1.00857.06 C ATOM 193 O4 U B 9 -891.886-105.280 89.421 1.00857.06 O ATOM 194 C5 U B 9 -893.335-104.314 87.807 1.00857.06 C ATOM 195 C6 U B 9 -894.544-103.780 87.611 1.00857.06 C ATOM 196 P A B 10 -896.529 -98.484 88.811 1.00857.06 P ATOM 197 O1P A B 10 -896.669 -97.096 88.295 1.00857.06 O ATOM 198 O2P A B 10 -895.209 -98.949 89.309 1.00857.06 O ATOM 199 O5* A B 10 -897.602 -98.692 89.968 1.00857.06 O ATOM 200 C5* A B 10 -898.992 -98.537 89.701 1.00857.06 C ATOM 201 C4* A B 10 -899.815 -98.913 90.915 1.00857.06 C ATOM 202 O4* A B 10 -899.673-100.332 91.185 1.00857.06 O ATOM 203 C3* A B 10 -899.393 -98.228 92.203 1.00857.06 C ATOM 204 O3* A B 10 -899.965 -96.938 92.347 1.00857.06 O ATOM 205 C2* A B 10 -899.892 -99.200 93.267 1.00857.06 C ATOM 206 O2* A B 10 -901.266 -99.031 93.556 1.00857.06 O ATOM 207 C1* A B 10 -899.667-100.551 92.585 1.00857.06 C ATOM 208 N9 A B 10 -898.383-101.136 92.964 1.00857.06 N ATOM 209 C8 A B 10 -897.372-101.575 92.147 1.00857.06 C ATOM 210 N7 A B 10 -896.324-102.024 92.793 1.00857.06 N ATOM 211 C5 A B 10 -896.670-101.872 94.130 1.00857.06 C ATOM 212 C6 A B 10 -895.984-102.162 95.323 1.00857.06 C ATOM 213 N6 A B 10 -894.754-102.678 95.366 1.00857.06 N ATOM 214 N1 A B 10 -896.613-101.892 96.489 1.00857.06 N ATOM 215 C2 A B 10 -897.843-101.371 96.446 1.00857.06 C ATOM 216 N3 A B 10 -898.593-101.054 95.390 1.00857.06 N ATOM 217 C4 A B 10 -897.937-101.334 94.250 1.00857.06 C ATOM 218 P G B 11 -898.504 -95.919 92.935 1.00855.43 P ATOM 219 O1P G B 11 -898.893 -94.774 92.069 1.00855.43 O ATOM 220 O2P G B 11 -897.094 -96.383 92.944 1.00855.43 O ATOM 221 O5* G B 11 -898.925 -95.578 94.433 1.00855.43 O ATOM 222 C5* G B 11 -900.289 -95.346 94.769 1.00855.43 C ATOM 223 C4* G B 11 -900.501 -95.510 96.259 1.00855.43 C ATOM 224 O4* G B 11 -900.238 -96.889 96.635 1.00855.43 O ATOM 225 C3* G B 11 -899.568 -94.708 97.138 1.00855.43 C ATOM 226 O3* G B 11 -900.039 -93.376 97.311 1.00855.43 O ATOM 227 C2* G B 11 -899.573 -95.494 98.441 1.00855.43 C ATOM 228 O2* G B 11 -900.696 -95.200 99.248 1.00855.43 O ATOM 229 C1* G B 11 -899.663 -96.927 97.930 1.00855.43 C ATOM 230 N9 G B 11 -898.330 -97.513 97.815 1.00855.43 N ATOM 231 C8 G B 11 -897.673 -97.870 96.665 1.00855.43 C ATOM 232 N7 G B 11 -896.471 -98.331 96.880 1.00855.43 N ATOM 233 C5 G B 11 -896.330 -98.281 98.261 1.00855.43 C ATOM 234 C6 G B 11 -895.233 -98.643 99.086 1.00855.43 C ATOM 235 O6 G B 11 -894.130 -99.094 98.750 1.00855.43 O ATOM 236 N1 G B 11 -895.518 -98.432 100.431 1.00855.43 N ATOM 237 C2 G B 11 -896.700 -97.936 100.922 1.00855.43 C ATOM 238 N2 G B 11 -896.781 -97.808 102.253 1.00855.43 N ATOM 239 N3 G B 11 -897.726 -97.592 100.163 1.00855.43 N ATOM 240 C4 G B 11 -897.474 -97.788 98.854 1.00855.43 C ATOM 241 P U B 12 -898.984 -92.185 97.529 1.00855.43 P ATOM 242 O1P U B 12 -899.735 -90.907 97.504 1.00855.43 O ATOM 243 O2P U B 12 -897.856 -92.394 96.585 1.00855.43 O ATOM 244 O5* U B 12 -898.438 -92.418 99.008 1.00855.43 O ATOM 245 C5* U B 12 -899.332 -92.565 100.105 1.00855.43 C ATOM 246 C4* U B 12 -898.592 -93.066 101.324 1.00855.43 C ATOM 247 O4* U B 12 -897.975 -94.345 101.028 1.00855.43 O ATOM 248 C3* U B 12 -897.436 -92.190 101.799 1.00855.43 C ATOM 249 O3* U B 12 -897.857 -91.110 102.620 1.00855.43 O ATOM 250 C2* U B 12 -896.561 -93.182 102.554 1.00855.43 C ATOM 251 O2* U B 12 -897.002 -93.400 103.880 1.00855.43 O ATOM 252 C1* U B 12 -896.748 -94.456 101.731 1.00855.43 C ATOM 253 N1 U B 12 -895.674 -94.655 100.750 1.00855.43 N ATOM 254 C2 U B 12 -894.502 -95.242 101.186 1.00855.43 C ATOM 255 O2 U B 12 -894.336 -95.610 102.338 1.00855.43 O ATOM 256 N3 U B 12 -893.532 -95.382 100.225 1.00855.43 N ATOM 257 C4 U B 12 -893.613 -95.006 98.902 1.00855.43 C ATOM 258 O4 U B 12 -892.644 -95.182 98.162 1.00855.43 O ATOM 259 C5 U B 12 -894.860 -94.410 98.526 1.00855.43 C ATOM 260 C6 U B 12 -895.821 -94.262 99.441 1.00855.43 C ATOM 261 P A B 13 -897.447 -89.605 102.225 1.00855.43 P ATOM 262 O1P A B 13 -897.632 -88.755 103.426 1.00855.43 O ATOM 263 O2P A B 13 -898.149 -89.254 100.966 1.00855.43 O ATOM 264 O5* A B 13 -895.888 -89.683 101.907 1.00855.43 O ATOM 265 C5* A B 13 -894.965 -90.222 102.851 1.00855.43 C ATOM 266 C4* A B 13 -893.556 -90.084 102.325 1.00855.43 C ATOM 267 O4* A B 13 -893.416 -90.821 101.086 1.00855.43 O ATOM 268 C3* A B 13 -893.080 -88.679 101.963 1.00855.43 C ATOM 269 O3* A B 13 -892.596 -88.033 103.139 1.00855.43 O ATOM 270 C2* A B 13 -891.962 -88.921 100.949 1.00855.43 C ATOM 271 O2* A B 13 -890.693 -89.054 101.549 1.00855.43 O ATOM 272 C1* A B 13 -892.357 -90.270 100.337 1.00855.43 C ATOM 273 N9 A B 13 -892.714 -90.272 98.919 1.00855.43 N ATOM 274 C8 A B 13 -893.886 -90.686 98.340 1.00855.43 C ATOM 275 N7 A B 13 -893.885 -90.603 97.031 1.00855.43 N ATOM 276 C5 A B 13 -892.632 -90.095 96.729 1.00855.43 C ATOM 277 C6 A B 13 -892.003 -89.781 95.512 1.00855.43 C ATOM 278 N6 A B 13 -892.579 -89.946 94.317 1.00855.43 N ATOM 279 N1 A B 13 -890.750 -89.286 95.558 1.00855.43 N ATOM 280 C2 A B 13 -890.170 -89.124 96.756 1.00855.43 C ATOM 281 N3 A B 13 -890.653 -89.384 97.968 1.00855.43 N ATOM 282 C4 A B 13 -891.902 -89.876 97.883 1.00855.43 C ATOM 283 P A B 14 -893.478 -86.889 103.847 1.00855.43 P ATOM 284 O1P A B 14 -894.831 -87.455 104.073 1.00855.43 O ATOM 285 O2P A B 14 -893.330 -85.633 103.069 1.00855.43 O ATOM 286 O5* A B 14 -892.783 -86.688 105.269 1.00855.43 O ATOM 287 C5* A B 14 -893.130 -87.512 106.379 1.00855.43 C ATOM 288 C4* A B 14 -891.888 -87.914 107.143 1.00855.43 C ATOM 289 O4* A B 14 -891.104 -88.848 106.361 1.00855.43 O ATOM 290 C3* A B 14 -890.916 -86.793 107.510 1.00855.43 C ATOM 291 O3* A B 14 -891.283 -86.116 108.710 1.00855.43 O ATOM 292 C2* A B 14 -889.592 -87.537 107.671 1.00855.43 C ATOM 293 O2* A B 14 -889.428 -88.084 108.963 1.00855.43 O ATOM 294 C1* A B 14 -889.733 -88.676 106.659 1.00855.43 C ATOM 295 N9 A B 14 -889.002 -88.510 105.400 1.00855.43 N ATOM 296 C8 A B 14 -888.208 -87.462 105.006 1.00855.43 C ATOM 297 N7 A B 14 -887.652 -87.632 103.829 1.00855.43 N ATOM 298 C5 A B 14 -888.121 -88.873 103.417 1.00855.43 C ATOM 299 C6 A B 14 -887.897 -89.636 102.257 1.00855.43 C ATOM 300 N6 A B 14 -887.098 -89.256 101.259 1.00855.43 N ATOM 301 N1 A B 14 -888.526 -90.827 102.158 1.00855.43 N ATOM 302 C2 A B 14 -889.313 -91.218 103.165 1.00855.43 C ATOM 303 N3 A B 14 -889.596 -90.597 104.306 1.00855.43 N ATOM 304 C4 A B 14 -888.961 -89.418 104.372 1.00855.43 C ATOM 305 P G B 15 -891.604 -84.544 108.678 1.00855.43 P ATOM 306 O1P G B 15 -891.075 -83.961 109.936 1.00855.43 O ATOM 307 O2P G B 15 -893.035 -84.359 108.329 1.00855.43 O ATOM 308 O5* G B 15 -890.717 -83.995 107.474 1.00855.43 O ATOM 309 C5* G B 15 -891.325 -83.370 106.350 1.00855.43 C ATOM 310 C4* G B 15 -890.263 -82.817 105.431 1.00855.43 C ATOM 311 O4* G B 15 -889.464 -83.911 104.909 1.00855.43 O ATOM 312 C3* G B 15 -890.749 -82.090 104.192 1.00855.43 C ATOM 313 O3* G B 15 -891.084 -80.741 104.479 1.00855.43 O ATOM 314 C2* G B 15 -889.560 -82.208 103.251 1.00855.43 C ATOM 315 O2* G B 15 -888.560 -81.247 103.519 1.00855.43 O ATOM 316 C1* G B 15 -889.043 -83.606 103.590 1.00855.43 C ATOM 317 N9 G B 15 -889.610 -84.602 102.688 1.00855.43 N ATOM 318 C8 G B 15 -890.381 -85.686 103.030 1.00855.43 C ATOM 319 N7 G B 15 -890.773 -86.381 101.995 1.00855.43 N ATOM 320 C5 G B 15 -890.219 -85.720 100.910 1.00855.43 C ATOM 321 C6 G B 15 -890.297 -86.001 99.522 1.00855.43 C ATOM 322 O6 G B 15 -890.896 -86.921 98.955 1.00855.43 O ATOM 323 N1 G B 15 -889.580 -85.074 98.774 1.00855.43 N ATOM 324 C2 G B 15 -888.882 -84.014 99.290 1.00855.43 C ATOM 325 N2 G B 15 -888.247 -83.235 98.406 1.00855.43 N ATOM 326 N3 G B 15 -888.807 -83.736 100.578 1.00855.43 N ATOM 327 C4 G B 15 -889.491 -84.624 101.324 1.00855.43 C ATOM 328 P G B 16 -892.169 -79.991 103.565 1.00855.43 P ATOM 329 O1P G B 16 -892.296 -78.607 104.073 1.00855.43 O ATOM 330 O2P G B 16 -893.377 -80.848 103.489 1.00855.43 O ATOM 331 O5* G B 16 -891.504 -79.963 102.115 1.00855.43 O ATOM 332 C5* G B 16 -890.344 -79.183 101.853 1.00855.43 C ATOM 333 C4* G B 16 -889.956 -79.286 100.397 1.00855.43 C ATOM 334 O4* G B 16 -889.742 -80.674 100.028 1.00855.43 O ATOM 335 C3* G B 16 -891.018 -78.773 99.443 1.00855.43 C ATOM 336 O3* G B 16 -890.882 -77.376 99.241 1.00855.43 O ATOM 337 C2* G B 16 -890.743 -79.567 98.170 1.00855.43 C ATOM 338 O2* G B 16 -889.717 -78.996 97.381 1.00855.43 O ATOM 339 C1* G B 16 -890.276 -80.908 98.736 1.00855.43 C ATOM 340 N9 G B 16 -891.373 -81.862 98.859 1.00855.43 N ATOM 341 C8 G B 16 -891.952 -82.306 100.020 1.00855.43 C ATOM 342 N7 G B 16 -892.930 -83.147 99.816 1.00855.43 N ATOM 343 C5 G B 16 -892.995 -83.268 98.437 1.00855.43 C ATOM 344 C6 G B 16 -893.863 -84.042 97.625 1.00855.43 C ATOM 345 O6 G B 16 -894.778 -84.799 97.974 1.00855.43 O ATOM 346 N1 G B 16 -893.585 -83.871 96.273 1.00855.43 N ATOM 347 C2 G B 16 -892.599 -83.058 95.765 1.00855.43 C ATOM 348 N2 G B 16 -892.489 -83.027 94.429 1.00855.43 N ATOM 349 N3 G B 16 -891.786 -82.332 96.511 1.00855.43 N ATOM 350 C4 G B 16 -892.039 -82.485 97.831 1.00855.43 C ATOM 351 P G B 17 -892.181 -76.513 98.885 1.00855.43 P ATOM 352 O1P G B 17 -891.827 -75.083 99.039 1.00855.43 O ATOM 353 O2P G B 17 -893.338 -77.076 99.628 1.00855.43 O ATOM 354 O5* G B 17 -892.392 -76.784 97.333 1.00855.43 O ATOM 355 C5* G B 17 -891.381 -76.446 96.400 1.00855.43 C ATOM 356 C4* G B 17 -891.647 -77.118 95.083 1.00855.43 C ATOM 357 O4* G B 17 -891.697 -78.559 95.255 1.00855.43 O ATOM 358 C3* G B 17 -892.956 -76.748 94.415 1.00855.43 C ATOM 359 O3* G B 17 -892.808 -75.545 93.678 1.00855.43 O ATOM 360 C2* G B 17 -893.252 -77.965 93.548 1.00855.43 C ATOM 361 O2* G B 17 -892.591 -77.932 92.301 1.00855.43 O ATOM 362 C1* G B 17 -892.680 -79.106 94.398 1.00855.43 C ATOM 363 N9 G B 17 -893.692 -79.766 95.215 1.00855.43 N ATOM 364 C8 G B 17 -893.756 -79.809 96.587 1.00855.43 C ATOM 365 N7 G B 17 -894.783 -80.481 97.032 1.00855.43 N ATOM 366 C5 G B 17 -895.435 -80.910 95.883 1.00855.43 C ATOM 367 C6 G B 17 -896.617 -81.684 95.730 1.00855.43 C ATOM 368 O6 G B 17 -897.348 -82.160 96.607 1.00855.43 O ATOM 369 N1 G B 17 -896.927 -81.885 94.390 1.00855.43 N ATOM 370 C2 G B 17 -896.194 -81.406 93.328 1.00855.43 C ATOM 371 N2 G B 17 -896.653 -81.709 92.107 1.00855.43 N ATOM 372 N3 G B 17 -895.092 -80.686 93.459 1.00855.43 N ATOM 373 C4 G B 17 -894.773 -80.475 94.756 1.00855.43 C ATOM 374 P U B 18 -894.090 -74.613 93.416 1.00855.43 P ATOM 375 O1P U B 18 -893.597 -73.294 92.940 1.00855.43 O ATOM 376 O2P U B 18 -894.975 -74.678 94.607 1.00855.43 O ATOM 377 O5* U B 18 -894.826 -75.334 92.206 1.00855.43 O ATOM 378 C5* U B 18 -894.668 -74.851 90.880 1.00855.43 C ATOM 379 C4* U B 18 -895.852 -75.241 90.034 1.00855.43 C ATOM 380 O4* U B 18 -896.035 -76.678 90.095 1.00855.43 O ATOM 381 C3* U B 18 -897.189 -74.664 90.439 1.00855.43 C ATOM 382 O3* U B 18 -897.333 -73.362 89.886 1.00855.43 O ATOM 383 C2* U B 18 -898.175 -75.668 89.862 1.00855.43 C ATOM 384 O2* U B 18 -898.413 -75.457 88.486 1.00855.43 O ATOM 385 C1* U B 18 -897.416 -76.983 90.040 1.00855.43 C ATOM 386 N1 U B 18 -897.775 -77.668 91.291 1.00855.43 N ATOM 387 C2 U B 18 -898.871 -78.508 91.275 1.00855.43 C ATOM 388 O2 U B 18 -899.531 -78.712 90.273 1.00855.43 O ATOM 389 N3 U B 18 -899.161 -79.101 92.479 1.00855.43 N ATOM 390 C4 U B 18 -898.480 -78.941 93.670 1.00855.43 C ATOM 391 O4 U B 18 -898.873 -79.538 94.675 1.00855.43 O ATOM 392 C5 U B 18 -897.352 -78.062 93.602 1.00855.43 C ATOM 393 C6 U B 18 -897.050 -77.470 92.442 1.00855.43 C ATOM 394 P C B 19 -897.848 -72.161 90.820 1.00855.43 P ATOM 395 O1P C B 19 -897.906 -70.937 89.983 1.00855.43 O ATOM 396 O2P C B 19 -897.043 -72.161 92.068 1.00855.43 O ATOM 397 O5* C B 19 -899.340 -72.585 91.186 1.00855.43 O ATOM 398 C5* C B 19 -900.429 -72.123 90.397 1.00855.43 C ATOM 399 C4* C B 19 -901.739 -72.625 90.953 1.00855.43 C ATOM 400 O4* C B 19 -901.665 -74.053 91.210 1.00855.43 O ATOM 401 C3* C B 19 -902.163 -72.000 92.260 1.00855.43 C ATOM 402 O3* C B 19 -902.896 -70.819 91.955 1.00855.43 O ATOM 403 C2* C B 19 -903.041 -73.073 92.889 1.00855.43 C ATOM 404 O2* C B 19 -904.371 -73.046 92.408 1.00855.43 O ATOM 405 C1* C B 19 -902.355 -74.355 92.410 1.00855.43 C ATOM 406 N1 C B 19 -901.383 -74.853 93.398 1.00855.43 N ATOM 407 C2 C B 19 -901.859 -75.500 94.541 1.00855.43 C ATOM 408 O2 C B 19 -903.084 -75.643 94.679 1.00855.43 O ATOM 409 N3 C B 19 -900.982 -75.951 95.464 1.00855.43 N ATOM 410 C4 C B 19 -899.673 -75.775 95.279 1.00855.43 C ATOM 411 N4 C B 19 -898.840 -76.231 96.218 1.00855.43 N ATOM 412 C5 C B 19 -899.157 -75.120 94.121 1.00855.43 C ATOM 413 C6 C B 19 -900.040 -74.683 93.214 1.00855.43 C ATOM 414 P C B 20 -902.716 -69.521 92.890 1.00855.43 P ATOM 415 O1P C B 20 -903.105 -68.338 92.083 1.00855.43 O ATOM 416 O2P C B 20 -901.366 -69.578 93.505 1.00855.43 O ATOM 417 O5* C B 20 -903.798 -69.727 94.036 1.00855.43 O ATOM 418 C5* C B 20 -905.187 -69.687 93.733 1.00855.43 C ATOM 419 C4* C B 20 -906.000 -70.215 94.892 1.00855.43 C ATOM 420 O4* C B 20 -905.465 -71.498 95.315 1.00855.43 O ATOM 421 C3* C B 20 -905.998 -69.374 96.158 1.00855.43 C ATOM 422 O3* C B 20 -906.942 -68.313 96.113 1.00855.43 O ATOM 423 C2* C B 20 -906.341 -70.399 97.231 1.00855.43 C ATOM 424 O2* C B 20 -907.723 -70.674 97.304 1.00855.43 O ATOM 425 C1* C B 20 -905.598 -71.635 96.722 1.00855.43 C ATOM 426 N1 C B 20 -904.255 -71.704 97.315 1.00855.43 N ATOM 427 C2 C B 20 -904.109 -72.258 98.590 1.00855.43 C ATOM 428 O2 C B 20 -905.106 -72.724 99.162 1.00855.43 O ATOM 429 N3 C B 20 -902.885 -72.273 99.168 1.00855.43 N ATOM 430 C4 C B 20 -901.836 -71.766 98.517 1.00855.43 C ATOM 431 N4 C B 20 -900.651 -71.784 99.132 1.00855.43 N ATOM 432 C5 C B 20 -901.953 -71.218 97.208 1.00855.43 C ATOM 433 C6 C B 20 -903.169 -71.207 96.651 1.00855.43 C ATOM 434 P A B 21 -906.792 -67.087 97.141 1.00855.43 P ATOM 435 O1P A B 21 -907.891 -66.129 96.877 1.00855.43 O ATOM 436 O2P A B 21 -905.381 -66.618 97.102 1.00855.43 O ATOM 437 O5* A B 21 -907.047 -67.764 98.563 1.00855.43 O ATOM 438 C5* A B 21 -908.366 -68.097 98.974 1.00855.43 C ATOM 439 C4* A B 21 -908.347 -68.752 100.335 1.00855.43 C ATOM 440 O4* A B 21 -907.538 -69.957 100.317 1.00855.43 O ATOM 441 C3* A B 21 -907.774 -67.912 101.462 1.00855.43 C ATOM 442 O3* A B 21 -908.730 -67.008 101.987 1.00855.43 O ATOM 443 C2* A B 21 -907.342 -68.967 102.473 1.00855.43 C ATOM 444 O2* A B 21 -908.412 -69.422 103.279 1.00855.43 O ATOM 445 C1* A B 21 -906.867 -70.097 101.560 1.00855.43 C ATOM 446 N9 A B 21 -905.428 -70.009 101.321 1.00855.43 N ATOM 447 C8 A B 21 -904.778 -69.387 100.285 1.00855.43 C ATOM 448 N7 A B 21 -903.470 -69.459 100.367 1.00855.43 N ATOM 449 C5 A B 21 -903.245 -70.177 101.531 1.00855.43 C ATOM 450 C6 A B 21 -902.070 -70.584 102.175 1.00855.43 C ATOM 451 N6 A B 21 -900.849 -70.312 101.715 1.00855.43 N ATOM 452 N1 A B 21 -902.190 -71.290 103.321 1.00855.43 N ATOM 453 C2 A B 21 -903.420 -71.555 103.781 1.00855.43 C ATOM 454 N3 A B 21 -904.601 -71.225 103.268 1.00855.43 N ATOM 455 C4 A B 21 -904.441 -70.528 102.126 1.00855.43 C ATOM 456 P C B 22 -908.241 -65.577 102.523 1.00855.43 P ATOM 457 O1P C B 22 -909.440 -64.835 102.994 1.00855.43 O ATOM 458 O2P C B 22 -907.360 -64.972 101.498 1.00855.43 O ATOM 459 O5* C B 22 -907.350 -65.948 103.790 1.00855.43 O ATOM 460 C5* C B 22 -907.958 -66.354 105.012 1.00855.43 C ATOM 461 C4* C B 22 -906.904 -66.713 106.026 1.00855.43 C ATOM 462 O4* C B 22 -906.054 -67.784 105.525 1.00855.43 O ATOM 463 C3* C B 22 -905.932 -65.616 106.411 1.00855.43 C ATOM 464 O3* C B 22 -906.497 -64.738 107.372 1.00855.43 O ATOM 465 C2* C B 22 -904.737 -66.395 106.945 1.00855.43 C ATOM 466 O2* C B 22 -904.912 -66.796 108.286 1.00855.43 O ATOM 467 C1* C B 22 -904.734 -67.625 106.030 1.00855.43 C ATOM 468 N1 C B 22 -903.818 -67.447 104.890 1.00855.43 N ATOM 469 C2 C B 22 -902.432 -67.510 105.108 1.00855.43 C ATOM 470 O2 C B 22 -902.009 -67.740 106.251 1.00855.43 O ATOM 471 N3 C B 22 -901.589 -67.316 104.072 1.00855.43 N ATOM 472 C4 C B 22 -902.079 -67.072 102.854 1.00855.43 C ATOM 473 N4 C B 22 -901.208 -66.880 101.857 1.00855.43 N ATOM 474 C5 C B 22 -903.480 -67.015 102.600 1.00855.43 C ATOM 475 C6 C B 22 -904.306 -67.210 103.636 1.00855.43 C ATOM 476 P G B 23 -905.897 -63.255 107.519 1.00855.43 P ATOM 477 O1P G B 23 -906.304 -62.723 108.845 1.00855.43 O ATOM 478 O2P G B 23 -906.240 -62.498 106.288 1.00855.43 O ATOM 479 O5* G B 23 -904.327 -63.507 107.529 1.00855.43 O ATOM 480 C5* G B 23 -903.411 -62.491 107.142 1.00855.43 C ATOM 481 C4* G B 23 -902.056 -62.765 107.750 1.00855.43 C ATOM 482 O4* G B 23 -901.612 -64.098 107.382 1.00855.43 O ATOM 483 C3* G B 23 -900.898 -61.867 107.348 1.00855.43 C ATOM 484 O3* G B 23 -900.895 -60.627 108.043 1.00855.43 O ATOM 485 C2* G B 23 -899.686 -62.730 107.676 1.00855.43 C ATOM 486 O2* G B 23 -899.348 -62.690 109.051 1.00855.43 O ATOM 487 C1* G B 23 -900.195 -64.128 107.321 1.00855.43 C ATOM 488 N9 G B 23 -899.798 -64.518 105.971 1.00855.43 N ATOM 489 C8 G B 23 -900.583 -64.539 104.843 1.00855.43 C ATOM 490 N7 G B 23 -899.931 -64.905 103.772 1.00855.43 N ATOM 491 C5 G B 23 -898.640 -65.147 104.222 1.00855.43 C ATOM 492 C6 G B 23 -897.477 -65.566 103.513 1.00855.43 C ATOM 493 O6 G B 23 -897.355 -65.812 102.309 1.00855.43 O ATOM 494 N1 G B 23 -896.382 -65.693 104.360 1.00855.43 N ATOM 495 C2 G B 23 -896.391 -65.447 105.708 1.00855.43 C ATOM 496 N2 G B 23 -895.228 -65.631 106.348 1.00855.43 N ATOM 497 N3 G B 23 -897.462 -65.051 106.379 1.00855.43 N ATOM 498 C4 G B 23 -898.544 -64.923 105.579 1.00855.43 C ATOM 499 P G B 24 -899.969 -59.424 107.518 1.00855.43 P ATOM 500 O1P G B 24 -900.624 -58.153 107.913 1.00855.43 O ATOM 501 O2P G B 24 -899.653 -59.674 106.087 1.00855.43 O ATOM 502 O5* G B 24 -898.627 -59.576 108.364 1.00855.43 O ATOM 503 C5* G B 24 -898.680 -59.874 109.754 1.00855.43 C ATOM 504 C4* G B 24 -897.297 -60.160 110.287 1.00855.43 C ATOM 505 O4* G B 24 -896.621 -61.112 109.426 1.00855.43 O ATOM 506 C3* G B 24 -896.366 -58.943 110.380 1.00855.43 C ATOM 507 O3* G B 24 -896.500 -58.224 111.607 1.00855.43 O ATOM 508 C2* G B 24 -894.986 -59.576 110.247 1.00855.43 C ATOM 509 O2* G B 24 -894.515 -60.100 111.469 1.00855.43 O ATOM 510 C1* G B 24 -895.262 -60.740 109.290 1.00855.43 C ATOM 511 N9 G B 24 -894.995 -60.436 107.888 1.00855.43 N ATOM 512 C8 G B 24 -895.754 -59.662 107.044 1.00855.43 C ATOM 513 N7 G B 24 -895.263 -59.586 105.838 1.00855.43 N ATOM 514 C5 G B 24 -894.103 -60.349 105.888 1.00855.43 C ATOM 515 C6 G B 24 -893.146 -60.639 104.880 1.00855.43 C ATOM 516 O6 G B 24 -893.128 -60.265 103.701 1.00855.43 O ATOM 517 N1 G B 24 -892.122 -61.449 105.364 1.00855.43 N ATOM 518 C2 G B 24 -892.031 -61.924 106.648 1.00855.43 C ATOM 519 N2 G B 24 -890.964 -62.690 106.920 1.00855.43 N ATOM 520 N3 G B 24 -892.919 -61.666 107.596 1.00855.43 N ATOM 521 C4 G B 24 -893.922 -60.878 107.149 1.00855.43 C ATOM 522 P U B 25 -896.538 -56.617 111.593 1.00855.43 P ATOM 523 O1P U B 25 -897.256 -56.182 112.820 1.00855.43 O ATOM 524 O2P U B 25 -897.026 -56.169 110.262 1.00855.43 O ATOM 525 O5* U B 25 -895.013 -56.185 111.739 1.00855.43 O ATOM 526 C5* U B 25 -894.495 -55.722 112.983 1.00855.43 C ATOM 527 C4* U B 25 -893.025 -55.408 112.852 1.00855.43 C ATOM 528 O4* U B 25 -892.325 -56.596 112.411 1.00855.43 O ATOM 529 C3* U B 25 -892.612 -54.337 111.848 1.00855.43 C ATOM 530 O3* U B 25 -892.724 -53.017 112.372 1.00855.43 O ATOM 531 C2* U B 25 -891.162 -54.704 111.541 1.00855.43 C ATOM 532 O2* U B 25 -890.258 -54.190 112.498 1.00855.43 O ATOM 533 C1* U B 25 -891.194 -56.232 111.642 1.00855.43 C ATOM 534 N1 U B 25 -891.290 -56.917 110.347 1.00855.43 N ATOM 535 C2 U B 25 -890.202 -57.658 109.924 1.00855.43 C ATOM 536 O2 U B 25 -889.170 -57.740 110.565 1.00855.43 O ATOM 537 N3 U B 25 -890.370 -58.295 108.722 1.00855.43 N ATOM 538 C4 U B 25 -891.491 -58.265 107.915 1.00855.43 C ATOM 539 O4 U B 25 -891.513 -58.941 106.885 1.00855.43 O ATOM 540 C5 U B 25 -892.565 -57.464 108.414 1.00855.43 C ATOM 541 C6 U B 25 -892.430 -56.833 109.583 1.00855.43 C ATOM 542 P G B 26 -893.048 -51.788 111.385 1.00855.43 P ATOM 543 O1P G B 26 -892.326 -50.603 111.909 1.00855.43 O ATOM 544 O2P G B 26 -894.518 -51.726 111.190 1.00855.43 O ATOM 545 O5* G B 26 -892.374 -52.214 110.004 1.00855.43 O ATOM 546 C5* G B 26 -891.006 -51.920 109.736 1.00855.43 C ATOM 547 C4* G B 26 -890.750 -51.949 108.249 1.00855.43 C ATOM 548 O4* G B 26 -890.935 -53.300 107.758 1.00855.43 O ATOM 549 C3* G B 26 -891.681 -51.099 107.392 1.00855.43 C ATOM 550 O3* G B 26 -891.259 -49.737 107.327 1.00855.43 O ATOM 551 C2* G B 26 -891.612 -51.795 106.034 1.00855.43 C ATOM 552 O2* G B 26 -890.493 -51.390 105.274 1.00855.43 O ATOM 553 C1* G B 26 -891.444 -53.263 106.438 1.00855.43 C ATOM 554 N9 G B 26 -892.686 -54.028 106.412 1.00855.43 N ATOM 555 C8 G B 26 -893.744 -53.919 107.281 1.00855.43 C ATOM 556 N7 G B 26 -894.720 -54.739 107.007 1.00855.43 N ATOM 557 C5 G B 26 -894.283 -55.434 105.889 1.00855.43 C ATOM 558 C6 G B 26 -894.918 -56.454 105.131 1.00855.43 C ATOM 559 O6 G B 26 -896.031 -56.965 105.305 1.00855.43 O ATOM 560 N1 G B 26 -894.117 -56.880 104.076 1.00855.43 N ATOM 561 C2 G B 26 -892.867 -56.390 103.783 1.00855.43 C ATOM 562 N2 G B 26 -892.252 -56.939 102.729 1.00855.43 N ATOM 563 N3 G B 26 -892.267 -55.435 104.478 1.00855.43 N ATOM 564 C4 G B 26 -893.027 -55.008 105.508 1.00855.43 C ATOM 565 P G B 27 -892.337 -48.551 107.493 1.00855.43 P ATOM 566 O1P G B 27 -891.576 -47.290 107.680 1.00855.43 O ATOM 567 O2P G B 27 -893.335 -48.964 108.510 1.00855.43 O ATOM 568 O5* G B 27 -893.065 -48.479 106.076 1.00855.43 O ATOM 569 C5* G B 27 -892.308 -48.362 104.874 1.00855.43 C ATOM 570 C4* G B 27 -893.093 -48.928 103.718 1.00855.43 C ATOM 571 O4* G B 27 -893.374 -50.322 103.998 1.00855.43 O ATOM 572 C3* G B 27 -894.460 -48.297 103.465 1.00855.43 C ATOM 573 O3* G B 27 -894.365 -47.150 102.617 1.00855.43 O ATOM 574 C2* G B 27 -895.228 -49.427 102.797 1.00855.43 C ATOM 575 O2* G B 27 -894.927 -49.521 101.428 1.00855.43 O ATOM 576 C1* G B 27 -894.653 -50.658 103.494 1.00855.43 C ATOM 577 N9 G B 27 -895.477 -51.134 104.596 1.00855.43 N ATOM 578 C8 G B 27 -895.577 -50.601 105.861 1.00855.43 C ATOM 579 N7 G B 27 -896.412 -51.251 106.625 1.00855.43 N ATOM 580 C5 G B 27 -896.889 -52.274 105.818 1.00855.43 C ATOM 581 C6 G B 27 -897.823 -53.306 106.095 1.00855.43 C ATOM 582 O6 G B 27 -898.438 -53.529 107.145 1.00855.43 O ATOM 583 N1 G B 27 -898.016 -54.127 104.990 1.00855.43 N ATOM 584 C2 G B 27 -897.391 -53.983 103.775 1.00855.43 C ATOM 585 N2 G B 27 -897.703 -54.884 102.834 1.00855.43 N ATOM 586 N3 G B 27 -896.521 -53.027 103.504 1.00855.43 N ATOM 587 C4 G B 27 -896.319 -52.214 104.564 1.00855.43 C ATOM 588 P A B 28 -894.923 -45.726 103.126 1.00855.43 P ATOM 589 O1P A B 28 -893.807 -45.039 103.826 1.00855.43 O ATOM 590 O2P A B 28 -896.203 -45.956 103.839 1.00855.43 O ATOM 591 O5* A B 28 -895.239 -44.919 101.786 1.00855.43 O ATOM 592 C5* A B 28 -894.240 -44.742 100.782 1.00855.43 C ATOM 593 C4* A B 28 -894.771 -45.174 99.430 1.00855.43 C ATOM 594 O4* A B 28 -894.993 -46.607 99.446 1.00855.43 O ATOM 595 C3* A B 28 -896.111 -44.549 99.026 1.00855.43 C ATOM 596 O3* A B 28 -895.954 -43.308 98.337 1.00855.43 O ATOM 597 C2* A B 28 -896.714 -45.623 98.116 1.00855.43 C ATOM 598 O2* A B 28 -896.231 -45.502 96.795 1.00855.43 O ATOM 599 C1* A B 28 -896.168 -46.918 98.733 1.00855.43 C ATOM 600 N9 A B 28 -897.067 -47.701 99.599 1.00855.43 N ATOM 601 C8 A B 28 -897.316 -47.580 100.959 1.00855.43 C ATOM 602 N7 A B 28 -898.156 -48.486 101.438 1.00855.43 N ATOM 603 C5 A B 28 -898.486 -49.236 100.313 1.00855.43 C ATOM 604 C6 A B 28 -899.331 -50.336 100.151 1.00855.43 C ATOM 605 N6 A B 28 -900.018 -50.886 101.174 1.00855.43 N ATOM 606 N1 A B 28 -899.447 -50.858 98.902 1.00855.43 N ATOM 607 C2 A B 28 -898.752 -50.295 97.896 1.00855.43 C ATOM 608 N3 A B 28 -897.923 -49.255 97.929 1.00855.43 N ATOM 609 C4 A B 28 -897.830 -48.762 99.178 1.00855.43 C ATOM 610 P U B 29 -897.139 -42.218 98.350 1.00855.43 P ATOM 611 O1P U B 29 -896.614 -40.979 97.723 1.00855.43 O ATOM 612 O2P U B 29 -897.717 -42.158 99.715 1.00855.43 O ATOM 613 O5* U B 29 -898.242 -42.822 97.375 1.00855.43 O ATOM 614 C5* U B 29 -897.987 -42.988 95.984 1.00855.43 C ATOM 615 C4* U B 29 -899.202 -43.585 95.316 1.00855.43 C ATOM 616 O4* U B 29 -899.453 -44.874 95.939 1.00855.43 O ATOM 617 C3* U B 29 -900.496 -42.835 95.495 1.00855.43 C ATOM 618 O3* U B 29 -900.601 -41.850 94.476 1.00855.43 O ATOM 619 C2* U B 29 -901.556 -43.921 95.369 1.00855.43 C ATOM 620 O2* U B 29 -901.876 -44.215 94.024 1.00855.43 O ATOM 621 C1* U B 29 -900.848 -45.114 96.010 1.00855.43 C ATOM 622 N1 U B 29 -901.200 -45.281 97.429 1.00855.43 N ATOM 623 C2 U B 29 -902.300 -46.055 97.729 1.00855.43 C ATOM 624 O2 U B 29 -902.973 -46.608 96.880 1.00855.43 O ATOM 625 N3 U B 29 -902.583 -46.161 99.070 1.00855.43 N ATOM 626 C4 U B 29 -901.894 -45.583 100.115 1.00855.43 C ATOM 627 O4 U B 29 -902.299 -45.749 101.266 1.00855.43 O ATOM 628 C5 U B 29 -900.763 -44.799 99.721 1.00855.43 C ATOM 629 C6 U B 29 -900.462 -44.679 98.424 1.00855.43 C ATOM 630 P G B 30 -901.594 -40.601 94.685 1.00855.43 P ATOM 631 O1P G B 30 -901.786 -39.946 93.367 1.00855.43 O ATOM 632 O2P G B 30 -901.098 -39.801 95.835 1.00855.43 O ATOM 633 O5* G B 30 -902.970 -41.275 95.112 1.00855.43 O ATOM 634 C5* G B 30 -903.953 -41.613 94.141 1.00855.43 C ATOM 635 C4* G B 30 -905.297 -41.789 94.803 1.00855.43 C ATOM 636 O4* G B 30 -905.251 -42.931 95.698 1.00855.43 O ATOM 637 C3* G B 30 -905.607 -40.598 95.700 1.00855.43 C ATOM 638 O3* G B 30 -906.225 -39.509 95.027 1.00855.43 O ATOM 639 C2* G B 30 -906.483 -41.207 96.783 1.00855.43 C ATOM 640 O2* G B 30 -907.839 -41.323 96.390 1.00855.43 O ATOM 641 C1* G B 30 -905.863 -42.599 96.932 1.00855.43 C ATOM 642 N9 G B 30 -904.825 -42.614 97.955 1.00855.43 N ATOM 643 C8 G B 30 -903.489 -42.360 97.774 1.00855.43 C ATOM 644 N7 G B 30 -902.796 -42.421 98.881 1.00855.43 N ATOM 645 C5 G B 30 -903.738 -42.734 99.853 1.00855.43 C ATOM 646 C6 G B 30 -903.582 -42.924 101.248 1.00855.43 C ATOM 647 O6 G B 30 -902.548 -42.848 101.930 1.00855.43 O ATOM 648 N1 G B 30 -904.797 -43.230 101.858 1.00855.43 N ATOM 649 C2 G B 30 -906.004 -43.337 101.207 1.00855.43 C ATOM 650 N2 G B 30 -907.062 -43.642 101.964 1.00855.43 N ATOM 651 N3 G B 30 -906.159 -43.160 99.906 1.00855.43 N ATOM 652 C4 G B 30 -904.994 -42.862 99.297 1.00855.43 C ATOM 653 P C B 31 -905.616 -38.032 95.201 1.00855.43 P ATOM 654 O1P C B 31 -906.544 -37.078 94.541 1.00855.43 O ATOM 655 O2P C B 31 -904.188 -38.071 94.791 1.00855.43 O ATOM 656 O5* C B 31 -905.674 -37.785 96.772 1.00855.43 O ATOM 657 C5* C B 31 -906.902 -37.906 97.481 1.00855.43 C ATOM 658 C4* C B 31 -906.649 -37.874 98.968 1.00855.43 C ATOM 659 O4* C B 31 -905.809 -38.995 99.346 1.00855.43 O ATOM 660 C3* C B 31 -905.867 -36.730 99.613 1.00855.43 C ATOM 661 O3* C B 31 -906.693 -35.584 99.758 1.00855.43 O ATOM 662 C2* C B 31 -905.388 -37.280 100.948 1.00855.43 C ATOM 663 O2* C B 31 -906.318 -37.076 101.993 1.00855.43 O ATOM 664 C1* C B 31 -905.279 -38.777 100.643 1.00855.43 C ATOM 665 N1 C B 31 -903.883 -39.234 100.652 1.00855.43 N ATOM 666 C2 C B 31 -903.342 -39.711 101.845 1.00855.43 C ATOM 667 O2 C B 31 -904.061 -39.751 102.855 1.00855.43 O ATOM 668 N3 C B 31 -902.048 -40.112 101.871 1.00855.43 N ATOM 669 C4 C B 31 -901.308 -40.051 100.762 1.00855.43 C ATOM 670 N4 C B 31 -900.036 -40.447 100.834 1.00855.43 N ATOM 671 C5 C B 31 -901.840 -39.575 99.528 1.00855.43 C ATOM 672 C6 C B 31 -903.119 -39.181 99.515 1.00855.43 C ATOM 673 P C B 32 -906.014 -34.156 100.056 1.00855.43 P ATOM 674 O1P C B 32 -907.044 -33.111 99.821 1.00855.43 O ATOM 675 O2P C B 32 -904.726 -34.093 99.321 1.00855.43 O ATOM 676 O5* C B 32 -905.698 -34.206 101.615 1.00855.43 O ATOM 677 C5* C B 32 -906.728 -33.978 102.573 1.00855.43 C ATOM 678 C4* C B 32 -906.133 -33.782 103.945 1.00855.43 C ATOM 679 O4* C B 32 -905.481 -35.003 104.374 1.00855.43 O ATOM 680 C3* C B 32 -905.073 -32.699 104.102 1.00855.43 C ATOM 681 O3* C B 32 -905.653 -31.413 104.278 1.00855.43 O ATOM 682 C2* C B 32 -904.305 -33.162 105.339 1.00855.43 C ATOM 683 O2* C B 32 -904.933 -32.772 106.543 1.00855.43 O ATOM 684 C1* C B 32 -904.377 -34.685 105.205 1.00855.43 C ATOM 685 N1 C B 32 -903.170 -35.295 104.621 1.00855.43 N ATOM 686 C2 C B 32 -902.041 -35.457 105.426 1.00855.43 C ATOM 687 O2 C B 32 -902.082 -35.071 106.607 1.00855.43 O ATOM 688 N3 C B 32 -900.931 -36.028 104.904 1.00855.43 N ATOM 689 C4 C B 32 -900.927 -36.428 103.631 1.00855.43 C ATOM 690 N4 C B 32 -899.811 -36.993 103.158 1.00855.43 N ATOM 691 C5 C B 32 -902.060 -36.271 102.783 1.00855.43 C ATOM 692 C6 C B 32 -903.151 -35.703 103.316 1.00855.43 C ATOM 693 P C B 33 -904.844 -30.100 103.823 1.00855.43 P ATOM 694 O1P C B 33 -905.612 -29.459 102.727 1.00855.43 O ATOM 695 O2P C B 33 -903.426 -30.480 103.599 1.00855.43 O ATOM 696 O5* C B 33 -904.914 -29.150 105.100 1.00855.43 O ATOM 697 C5* C B 33 -905.786 -28.027 105.122 1.00855.43 C ATOM 698 C4* C B 33 -905.586 -27.247 106.398 1.00855.43 C ATOM 699 O4* C B 33 -905.994 -28.063 107.523 1.00855.43 O ATOM 700 C3* C B 33 -904.156 -26.838 106.707 1.00855.43 C ATOM 701 O3* C B 33 -903.839 -25.615 106.044 1.00855.43 O ATOM 702 C2* C B 33 -904.153 -26.710 108.233 1.00855.43 C ATOM 703 O2* C B 33 -904.595 -25.445 108.675 1.00855.43 O ATOM 704 C1* C B 33 -905.183 -27.774 108.644 1.00855.43 C ATOM 705 N1 C B 33 -904.630 -29.045 109.143 1.00855.43 N ATOM 706 C2 C B 33 -904.748 -29.343 110.502 1.00855.43 C ATOM 707 O2 C B 33 -905.275 -28.511 111.255 1.00855.43 O ATOM 708 N3 C B 33 -904.284 -30.528 110.963 1.00855.43 N ATOM 709 C4 C B 33 -903.719 -31.396 110.121 1.00855.43 C ATOM 710 N4 C B 33 -903.292 -32.560 110.613 1.00855.43 N ATOM 711 C5 C B 33 -903.569 -31.110 108.733 1.00855.43 C ATOM 712 C6 C B 33 -904.035 -29.930 108.291 1.00855.43 C ATOM 713 P U B 34 -902.332 -25.324 105.565 1.00855.43 P ATOM 714 O1P U B 34 -902.416 -24.350 104.448 1.00855.43 O ATOM 715 O2P U B 34 -901.631 -26.617 105.360 1.00855.43 O ATOM 716 O5* U B 34 -901.681 -24.579 106.812 1.00855.43 O ATOM 717 C5* U B 34 -900.270 -24.476 106.955 1.00855.43 C ATOM 718 C4* U B 34 -899.891 -24.635 108.407 1.00855.43 C ATOM 719 O4* U B 34 -900.556 -25.800 108.948 1.00855.43 O ATOM 720 C3* U B 34 -898.395 -24.813 108.692 1.00855.43 C ATOM 721 O3* U B 34 -897.776 -23.543 108.892 1.00855.43 O ATOM 722 C2* U B 34 -898.407 -25.618 109.995 1.00855.43 C ATOM 723 O2* U B 34 -898.501 -24.796 111.140 1.00855.43 O ATOM 724 C1* U B 34 -899.697 -26.437 109.867 1.00855.43 C ATOM 725 N1 U B 34 -899.584 -27.859 109.515 1.00855.43 N ATOM 726 C2 U B 34 -898.964 -28.683 110.438 1.00855.43 C ATOM 727 O2 U B 34 -898.512 -28.272 111.492 1.00855.43 O ATOM 728 N3 U B 34 -898.893 -30.005 110.080 1.00855.43 N ATOM 729 C4 U B 34 -899.364 -30.578 108.920 1.00855.43 C ATOM 730 O4 U B 34 -899.258 -31.793 108.759 1.00855.43 O ATOM 731 C5 U B 34 -899.985 -29.658 108.014 1.00855.43 C ATOM 732 C6 U B 34 -900.071 -28.363 108.333 1.00855.43 C ATOM 733 P G B 35 -896.199 -23.454 109.182 1.00855.43 P ATOM 734 O1P G B 35 -896.039 -23.284 110.649 1.00855.43 O ATOM 735 O2P G B 35 -895.604 -22.457 108.255 1.00855.43 O ATOM 736 O5* G B 35 -895.650 -24.896 108.793 1.00855.43 O ATOM 737 C5* G B 35 -894.592 -25.491 109.535 1.00855.43 C ATOM 738 C4* G B 35 -893.773 -26.387 108.646 1.00855.43 C ATOM 739 O4* G B 35 -894.583 -27.480 108.150 1.00855.43 O ATOM 740 C3* G B 35 -893.146 -25.771 107.414 1.00855.43 C ATOM 741 O3* G B 35 -891.929 -25.134 107.783 1.00855.43 O ATOM 742 C2* G B 35 -892.927 -26.975 106.503 1.00855.43 C ATOM 743 O2* G B 35 -891.724 -27.662 106.786 1.00855.43 O ATOM 744 C1* G B 35 -894.115 -27.872 106.871 1.00855.43 C ATOM 745 N9 G B 35 -895.228 -27.803 105.932 1.00855.43 N ATOM 746 C8 G B 35 -896.487 -27.308 106.168 1.00855.43 C ATOM 747 N7 G B 35 -897.274 -27.390 105.128 1.00855.43 N ATOM 748 C5 G B 35 -896.483 -27.970 104.143 1.00855.43 C ATOM 749 C6 G B 35 -896.791 -28.308 102.799 1.00855.43 C ATOM 750 O6 G B 35 -897.857 -28.160 102.188 1.00855.43 O ATOM 751 N1 G B 35 -895.698 -28.877 102.156 1.00855.43 N ATOM 752 C2 G B 35 -894.466 -29.089 102.726 1.00855.43 C ATOM 753 N2 G B 35 -893.535 -29.647 101.937 1.00855.43 N ATOM 754 N3 G B 35 -894.169 -28.781 103.976 1.00855.43 N ATOM 755 C4 G B 35 -895.218 -28.227 104.623 1.00855.43 C ATOM 756 P G B 36 -891.380 -23.908 106.902 1.00855.43 P ATOM 757 O1P G B 36 -890.224 -23.321 107.625 1.00855.43 O ATOM 758 O2P G B 36 -892.532 -23.047 106.530 1.00855.43 O ATOM 759 O5* G B 36 -890.844 -24.626 105.589 1.00855.43 O ATOM 760 C5* G B 36 -890.560 -23.884 104.410 1.00855.43 C ATOM 761 C4* G B 36 -890.128 -24.823 103.309 1.00855.43 C ATOM 762 O4* G B 36 -891.083 -25.904 103.174 1.00855.43 O ATOM 763 C3* G B 36 -890.035 -24.188 101.927 1.00855.43 C ATOM 764 O3* G B 36 -888.770 -23.565 101.725 1.00855.43 O ATOM 765 C2* G B 36 -890.258 -25.376 100.995 1.00855.43 C ATOM 766 O2* G B 36 -889.073 -26.112 100.764 1.00855.43 O ATOM 767 C1* G B 36 -891.231 -26.237 101.805 1.00855.43 C ATOM 768 N9 G B 36 -892.635 -26.079 101.433 1.00855.43 N ATOM 769 C8 G B 36 -893.681 -25.734 102.254 1.00855.43 C ATOM 770 N7 G B 36 -894.830 -25.690 101.632 1.00855.43 N ATOM 771 C5 G B 36 -894.522 -26.021 100.317 1.00855.43 C ATOM 772 C6 G B 36 -895.357 -26.141 99.172 1.00855.43 C ATOM 773 O6 G B 36 -896.582 -25.973 99.090 1.00855.43 O ATOM 774 N1 G B 36 -894.628 -26.497 98.046 1.00855.43 N ATOM 775 C2 G B 36 -893.273 -26.712 98.015 1.00855.43 C ATOM 776 N2 G B 36 -892.753 -27.048 96.825 1.00855.43 N ATOM 777 N3 G B 36 -892.482 -26.603 99.072 1.00855.43 N ATOM 778 C4 G B 36 -893.168 -26.262 100.181 1.00855.43 C ATOM 779 P C B 37 -888.699 -22.076 101.131 1.00855.43 P ATOM 780 O1P C B 37 -887.281 -21.640 101.224 1.00855.43 O ATOM 781 O2P C B 37 -889.762 -21.259 101.771 1.00855.43 O ATOM 782 O5* C B 37 -889.056 -22.272 99.595 1.00855.43 O ATOM 783 C5* C B 37 -888.147 -22.930 98.722 1.00855.43 C ATOM 784 C4* C B 37 -888.641 -22.868 97.298 1.00855.43 C ATOM 785 O4* C B 37 -889.942 -23.499 97.194 1.00855.43 O ATOM 786 C3* C B 37 -888.833 -21.454 96.767 1.00855.43 C ATOM 787 O3* C B 37 -887.635 -20.920 96.219 1.00855.43 O ATOM 788 C2* C B 37 -889.904 -21.645 95.699 1.00855.43 C ATOM 789 O2* C B 37 -889.368 -22.074 94.464 1.00855.43 O ATOM 790 C1* C B 37 -890.759 -22.760 96.303 1.00855.43 C ATOM 791 N1 C B 37 -891.928 -22.249 97.041 1.00855.43 N ATOM 792 C2 C B 37 -893.156 -22.179 96.375 1.00855.43 C ATOM 793 O2 C B 37 -893.222 -22.548 95.195 1.00855.43 O ATOM 794 N3 C B 37 -894.239 -21.707 97.034 1.00855.43 N ATOM 795 C4 C B 37 -894.129 -21.312 98.304 1.00855.43 C ATOM 796 N4 C B 37 -895.229 -20.853 98.911 1.00855.43 N ATOM 797 C5 C B 37 -892.889 -21.375 99.008 1.00855.43 C ATOM 798 C6 C B 37 -891.823 -21.848 98.341 1.00855.43 C ATOM 799 P G B 38 -887.410 -19.327 96.218 1.00855.43 P ATOM 800 O1P G B 38 -886.034 -19.067 95.727 1.00855.43 O ATOM 801 O2P G B 38 -887.829 -18.797 97.544 1.00855.43 O ATOM 802 O5* G B 38 -888.437 -18.795 95.127 1.00855.43 O ATOM 803 C5* G B 38 -888.063 -18.694 93.754 1.00855.43 C ATOM 804 C4* G B 38 -889.236 -18.227 92.925 1.00855.43 C ATOM 805 O4* G B 38 -890.340 -19.155 93.090 1.00855.43 O ATOM 806 C3* G B 38 -889.856 -16.875 93.259 1.00855.43 C ATOM 807 O3* G B 38 -889.129 -15.773 92.731 1.00855.43 O ATOM 808 C2* G B 38 -891.251 -17.000 92.659 1.00855.43 C ATOM 809 O2* G B 38 -891.264 -16.764 91.265 1.00855.43 O ATOM 810 C1* G B 38 -891.572 -18.468 92.945 1.00855.43 C ATOM 811 N9 G B 38 -892.307 -18.613 94.198 1.00855.43 N ATOM 812 C8 G B 38 -891.786 -18.960 95.420 1.00855.43 C ATOM 813 N7 G B 38 -892.678 -18.988 96.370 1.00855.43 N ATOM 814 C5 G B 38 -893.862 -18.644 95.737 1.00855.43 C ATOM 815 C6 G B 38 -895.172 -18.502 96.256 1.00855.43 C ATOM 816 O6 G B 38 -895.560 -18.663 97.421 1.00855.43 O ATOM 817 N1 G B 38 -896.077 -18.137 95.270 1.00855.43 N ATOM 818 C2 G B 38 -895.764 -17.929 93.945 1.00855.43 C ATOM 819 N2 G B 38 -896.781 -17.578 93.146 1.00855.43 N ATOM 820 N3 G B 38 -894.546 -18.059 93.449 1.00855.43 N ATOM 821 C4 G B 38 -893.651 -18.416 94.391 1.00855.43 C ATOM 822 P C B 39 -889.051 -14.406 93.571 1.00855.43 P ATOM 823 O1P C B 39 -888.339 -13.404 92.735 1.00855.43 O ATOM 824 O2P C B 39 -888.537 -14.725 94.927 1.00855.43 O ATOM 825 O5* C B 39 -890.573 -13.952 93.711 1.00855.43 O ATOM 826 C5* C B 39 -891.349 -13.649 92.557 1.00855.43 C ATOM 827 C4* C B 39 -892.689 -13.075 92.959 1.00855.43 C ATOM 828 O4* C B 39 -893.354 -13.998 93.861 1.00855.43 O ATOM 829 C3* C B 39 -892.807 -11.785 93.771 1.00855.43 C ATOM 830 O3* C B 39 -892.614 -10.634 92.960 1.00855.43 O ATOM 831 C2* C B 39 -894.213 -11.833 94.353 1.00855.43 C ATOM 832 O2* C B 39 -895.184 -11.305 93.473 1.00855.43 O ATOM 833 C1* C B 39 -894.427 -13.335 94.515 1.00855.43 C ATOM 834 N1 C B 39 -894.415 -13.728 95.932 1.00855.43 N ATOM 835 C2 C B 39 -895.561 -13.515 96.698 1.00855.43 C ATOM 836 O2 C B 39 -896.563 -13.023 96.154 1.00855.43 O ATOM 837 N3 C B 39 -895.556 -13.850 98.008 1.00855.43 N ATOM 838 C4 C B 39 -894.457 -14.375 98.556 1.00855.43 C ATOM 839 N4 C B 39 -894.493 -14.683 99.855 1.00855.43 N ATOM 840 C5 C B 39 -893.276 -14.610 97.797 1.00855.43 C ATOM 841 C6 C B 39 -893.298 -14.275 96.500 1.00855.43 C ATOM 842 P U B 40 -892.438 -9.198 93.661 1.00855.43 P ATOM 843 O1P U B 40 -891.655 -8.341 92.736 1.00855.43 O ATOM 844 O2P U B 40 -891.956 -9.413 95.048 1.00855.43 O ATOM 845 O5* U B 40 -893.922 -8.620 93.736 1.00855.43 O ATOM 846 C5* U B 40 -894.697 -8.444 92.553 1.00855.43 C ATOM 847 C4* U B 40 -896.132 -8.108 92.900 1.00855.43 C ATOM 848 O4* U B 40 -896.684 -9.152 93.744 1.00855.43 O ATOM 849 C3* U B 40 -896.301 -6.818 93.691 1.00855.43 C ATOM 850 O3* U B 40 -896.426 -5.686 92.839 1.00855.43 O ATOM 851 C2* U B 40 -897.585 -7.070 94.475 1.00855.43 C ATOM 852 O2* U B 40 -898.746 -6.811 93.713 1.00855.43 O ATOM 853 C1* U B 40 -897.484 -8.572 94.759 1.00855.43 C ATOM 854 N1 U B 40 -896.854 -8.842 96.059 1.00855.43 N ATOM 855 C2 U B 40 -897.557 -8.491 97.198 1.00855.43 C ATOM 856 O2 U B 40 -898.666 -7.988 97.161 1.00855.43 O ATOM 857 N3 U B 40 -896.909 -8.749 98.379 1.00855.43 N ATOM 858 C4 U B 40 -895.659 -9.313 98.537 1.00855.43 C ATOM 859 O4 U B 40 -895.209 -9.481 99.673 1.00855.43 O ATOM 860 C5 U B 40 -894.999 -9.654 97.313 1.00855.43 C ATOM 861 C6 U B 40 -895.606 -9.413 96.145 1.00855.43 C ATOM 862 P G B 41 -895.815 -4.272 93.304 1.00855.43 P ATOM 863 O1P G B 41 -896.275 -3.254 92.323 1.00855.43 O ATOM 864 O2P G B 41 -894.361 -4.451 93.546 1.00855.43 O ATOM 865 O5* G B 41 -896.524 -3.968 94.698 1.00855.43 O ATOM 866 C5* G B 41 -897.846 -3.439 94.737 1.00855.43 C ATOM 867 C4* G B 41 -898.313 -3.247 96.164 1.00855.43 C ATOM 868 O4* G B 41 -898.312 -4.525 96.854 1.00855.43 O ATOM 869 C3* G B 41 -897.455 -2.380 97.050 1.00855.43 C ATOM 870 O3* G B 41 -897.801 -1.014 96.845 1.00855.43 O ATOM 871 C2* G B 41 -897.832 -2.833 98.456 1.00855.43 C ATOM 872 O2* G B 41 -899.002 -2.198 98.931 1.00855.43 O ATOM 873 C1* G B 41 -898.119 -4.317 98.243 1.00855.43 C ATOM 874 N9 G B 41 -897.001 -5.134 98.703 1.00855.43 N ATOM 875 C8 G B 41 -895.945 -5.617 97.962 1.00855.43 C ATOM 876 N7 G B 41 -895.089 -6.295 98.677 1.00855.43 N ATOM 877 C5 G B 41 -895.612 -6.263 99.966 1.00855.43 C ATOM 878 C6 G B 41 -895.122 -6.821 101.179 1.00855.43 C ATOM 879 O6 G B 41 -894.092 -7.476 101.366 1.00855.43 O ATOM 880 N1 G B 41 -895.971 -6.548 102.245 1.00855.43 N ATOM 881 C2 G B 41 -897.137 -5.832 102.165 1.00855.43 C ATOM 882 N2 G B 41 -897.819 -5.679 103.308 1.00855.43 N ATOM 883 N3 G B 41 -897.603 -5.304 101.046 1.00855.43 N ATOM 884 C4 G B 41 -896.798 -5.556 99.993 1.00855.43 C ATOM 885 P G B 42 -896.884 0.141 97.496 1.00855.43 P ATOM 886 O1P G B 42 -897.348 1.442 96.949 1.00855.43 O ATOM 887 O2P G B 42 -895.461 -0.252 97.343 1.00855.43 O ATOM 888 O5* G B 42 -897.241 0.106 99.048 1.00855.43 O ATOM 889 C5* G B 42 -896.320 0.579 100.030 1.00855.43 C ATOM 890 C4* G B 42 -896.643 -0.017 101.383 1.00855.43 C ATOM 891 O4* G B 42 -896.711 -1.463 101.277 1.00855.43 O ATOM 892 C3* G B 42 -895.639 0.236 102.504 1.00855.43 C ATOM 893 O3* G B 42 -895.797 1.506 103.129 1.00855.43 O ATOM 894 C2* G B 42 -895.903 -0.926 103.450 1.00855.43 C ATOM 895 O2* G B 42 -897.014 -0.695 104.298 1.00855.43 O ATOM 896 C1* G B 42 -896.234 -2.055 102.473 1.00855.43 C ATOM 897 N9 G B 42 -895.079 -2.876 102.124 1.00855.43 N ATOM 898 C8 G B 42 -894.450 -2.909 100.901 1.00855.43 C ATOM 899 N7 G B 42 -893.444 -3.739 100.867 1.00855.43 N ATOM 900 C5 G B 42 -893.400 -4.285 102.141 1.00855.43 C ATOM 901 C6 G B 42 -892.519 -5.250 102.693 1.00855.43 C ATOM 902 O6 G B 42 -891.576 -5.834 102.146 1.00855.43 O ATOM 903 N1 G B 42 -892.825 -5.515 104.022 1.00855.43 N ATOM 904 C2 G B 42 -893.844 -4.938 104.731 1.00855.43 C ATOM 905 N2 G B 42 -893.965 -5.333 106.009 1.00855.43 N ATOM 906 N3 G B 42 -894.682 -4.038 104.226 1.00855.43 N ATOM 907 C4 G B 42 -894.402 -3.762 102.935 1.00855.43 C ATOM 908 P A B 43 -894.499 2.365 103.525 1.00855.43 P ATOM 909 O1P A B 43 -894.963 3.711 103.954 1.00855.43 O ATOM 910 O2P A B 43 -893.513 2.248 102.422 1.00855.43 O ATOM 911 O5* A B 43 -893.914 1.611 104.799 1.00855.43 O ATOM 912 C5* A B 43 -894.648 1.546 106.017 1.00855.43 C ATOM 913 C4* A B 43 -894.219 0.339 106.813 1.00855.43 C ATOM 914 O4* A B 43 -894.262 -0.830 105.959 1.00855.43 O ATOM 915 C3* A B 43 -892.799 0.369 107.355 1.00855.43 C ATOM 916 O3* A B 43 -892.742 1.071 108.589 1.00855.43 O ATOM 917 C2* A B 43 -892.458 -1.110 107.489 1.00855.43 C ATOM 918 O2* A B 43 -892.958 -1.678 108.684 1.00855.43 O ATOM 919 C1* A B 43 -893.196 -1.705 106.289 1.00855.43 C ATOM 920 N9 A B 43 -892.344 -1.821 105.103 1.00855.43 N ATOM 921 C8 A B 43 -892.417 -1.061 103.963 1.00855.43 C ATOM 922 N7 A B 43 -891.530 -1.387 103.057 1.00855.43 N ATOM 923 C5 A B 43 -890.826 -2.431 103.635 1.00855.43 C ATOM 924 C6 A B 43 -889.754 -3.214 103.180 1.00855.43 C ATOM 925 N6 A B 43 -889.182 -3.065 101.984 1.00855.43 N ATOM 926 N1 A B 43 -889.283 -4.174 104.005 1.00855.43 N ATOM 927 C2 A B 43 -889.857 -4.328 105.205 1.00855.43 C ATOM 928 N3 A B 43 -890.872 -3.655 105.746 1.00855.43 N ATOM 929 C4 A B 43 -891.316 -2.710 104.900 1.00855.43 C ATOM 930 P G B 44 -891.387 1.826 109.010 1.00855.43 P ATOM 931 O1P G B 44 -891.410 1.994 110.487 1.00855.43 O ATOM 932 O2P G B 44 -891.223 3.017 108.139 1.00855.43 O ATOM 933 O5* G B 44 -890.248 0.774 108.645 1.00855.43 O ATOM 934 C5* G B 44 -890.063 -0.395 109.434 1.00855.43 C ATOM 935 C4* G B 44 -888.889 -1.196 108.921 1.00855.43 C ATOM 936 O4* G B 44 -889.090 -1.557 107.530 1.00855.43 O ATOM 937 C3* G B 44 -887.585 -0.427 108.856 1.00855.43 C ATOM 938 O3* G B 44 -887.000 -0.440 110.150 1.00855.43 O ATOM 939 C2* G B 44 -886.751 -1.186 107.828 1.00855.43 C ATOM 940 O2* G B 44 -886.004 -2.239 108.404 1.00855.43 O ATOM 941 C1* G B 44 -887.831 -1.769 106.913 1.00855.43 C ATOM 942 N9 G B 44 -887.845 -1.147 105.590 1.00855.43 N ATOM 943 C8 G B 44 -888.569 -0.049 105.197 1.00855.43 C ATOM 944 N7 G B 44 -888.352 0.290 103.952 1.00855.43 N ATOM 945 C5 G B 44 -887.432 -0.645 103.499 1.00855.43 C ATOM 946 C6 G B 44 -886.819 -0.791 102.226 1.00855.43 C ATOM 947 O6 G B 44 -886.964 -0.094 101.212 1.00855.43 O ATOM 948 N1 G B 44 -885.951 -1.875 102.199 1.00855.43 N ATOM 949 C2 G B 44 -885.701 -2.718 103.253 1.00855.43 C ATOM 950 N2 G B 44 -884.833 -3.712 103.024 1.00855.43 N ATOM 951 N3 G B 44 -886.268 -2.593 104.445 1.00855.43 N ATOM 952 C4 G B 44 -887.114 -1.545 104.495 1.00855.43 C ATOM 953 P C B 45 -887.147 0.847 111.102 1.00855.43 P ATOM 954 O1P C B 45 -888.549 0.883 111.596 1.00855.43 O ATOM 955 O2P C B 45 -886.590 2.019 110.383 1.00855.43 O ATOM 956 O5* C B 45 -886.190 0.513 112.330 1.00855.43 O ATOM 957 C5* C B 45 -885.098 -0.377 112.155 1.00855.43 C ATOM 958 C4* C B 45 -884.999 -1.319 113.329 1.00855.43 C ATOM 959 O4* C B 45 -884.097 -2.397 112.990 1.00855.43 O ATOM 960 C3* C B 45 -884.435 -0.694 114.611 1.00855.43 C ATOM 961 O3* C B 45 -885.422 -0.086 115.442 1.00855.43 O ATOM 962 C2* C B 45 -883.775 -1.887 115.294 1.00855.43 C ATOM 963 O2* C B 45 -884.700 -2.661 116.036 1.00855.43 O ATOM 964 C1* C B 45 -883.276 -2.700 114.100 1.00855.43 C ATOM 965 N1 C B 45 -881.890 -2.399 113.728 1.00855.43 N ATOM 966 C2 C B 45 -880.867 -3.148 114.299 1.00855.43 C ATOM 967 O2 C B 45 -881.164 -4.040 115.109 1.00855.43 O ATOM 968 N3 C B 45 -879.582 -2.889 113.958 1.00855.43 N ATOM 969 C4 C B 45 -879.308 -1.917 113.084 1.00855.43 C ATOM 970 N4 C B 45 -878.028 -1.694 112.778 1.00855.43 N ATOM 971 C5 C B 45 -880.336 -1.129 112.491 1.00855.43 C ATOM 972 C6 C B 45 -881.601 -1.403 112.835 1.00855.43 C ATOM 973 P C B 46 -885.148 1.373 116.062 1.00855.43 P ATOM 974 O1P C B 46 -886.467 2.002 116.326 1.00855.43 O ATOM 975 O2P C B 46 -884.158 2.071 115.202 1.00855.43 O ATOM 976 O5* C B 46 -884.455 1.075 117.468 1.00855.43 O ATOM 977 C5* C B 46 -885.238 0.895 118.647 1.00855.43 C ATOM 978 C4* C B 46 -884.397 0.275 119.738 1.00855.43 C ATOM 979 O4* C B 46 -883.754 -0.919 119.225 1.00855.43 O ATOM 980 C3* C B 46 -883.257 1.109 120.290 1.00855.43 C ATOM 981 O3* C B 46 -883.743 1.980 121.304 1.00855.43 O ATOM 982 C2* C B 46 -882.299 0.059 120.837 1.00855.43 C ATOM 983 O2* C B 46 -882.655 -0.382 122.129 1.00855.43 O ATOM 984 C1* C B 46 -882.483 -1.082 119.830 1.00855.43 C ATOM 985 N1 C B 46 -881.465 -1.067 118.770 1.00855.43 N ATOM 986 C2 C B 46 -880.224 -1.659 119.013 1.00855.43 C ATOM 987 O2 C B 46 -880.014 -2.188 120.114 1.00855.43 O ATOM 988 N3 C B 46 -879.280 -1.639 118.044 1.00855.43 N ATOM 989 C4 C B 46 -879.540 -1.058 116.871 1.00855.43 C ATOM 990 N4 C B 46 -878.572 -1.056 115.950 1.00855.43 N ATOM 991 C5 C B 46 -880.799 -0.453 116.593 1.00855.43 C ATOM 992 C6 C B 46 -881.724 -0.480 117.561 1.00855.43 C ATOM 993 P G B 47 -883.077 3.431 121.491 1.00855.43 P ATOM 994 O1P G B 47 -883.686 4.059 122.689 1.00855.43 O ATOM 995 O2P G B 47 -883.132 4.136 120.185 1.00855.43 O ATOM 996 O5* G B 47 -881.551 3.114 121.815 1.00855.43 O ATOM 997 C5* G B 47 -881.186 2.330 122.949 1.00855.43 C ATOM 998 C4* G B 47 -879.809 1.743 122.751 1.00855.43 C ATOM 999 O4* G B 47 -879.675 1.293 121.383 1.00855.43 O ATOM 1000 C3* G B 47 -878.643 2.693 122.952 1.00855.43 C ATOM 1001 O3* G B 47 -878.306 2.759 124.330 1.00855.43 O ATOM 1002 C2* G B 47 -877.545 2.065 122.105 1.00855.43 C ATOM 1003 O2* G B 47 -876.876 1.014 122.774 1.00855.43 O ATOM 1004 C1* G B 47 -878.348 1.505 120.929 1.00855.43 C ATOM 1005 N9 G B 47 -878.406 2.455 119.822 1.00855.43 N ATOM 1006 C8 G B 47 -879.504 3.174 119.415 1.00855.43 C ATOM 1007 N7 G B 47 -879.255 3.965 118.409 1.00855.43 N ATOM 1008 C5 G B 47 -877.913 3.751 118.130 1.00855.43 C ATOM 1009 C6 G B 47 -877.079 4.331 117.141 1.00855.43 C ATOM 1010 O6 G B 47 -877.369 5.176 116.286 1.00855.43 O ATOM 1011 N1 G B 47 -875.783 3.829 117.207 1.00855.43 N ATOM 1012 C2 G B 47 -875.343 2.889 118.110 1.00855.43 C ATOM 1013 N2 G B 47 -874.057 2.531 118.011 1.00855.43 N ATOM 1014 N3 G B 47 -876.111 2.343 119.040 1.00855.43 N ATOM 1015 C4 G B 47 -877.375 2.818 118.990 1.00855.43 C ATOM 1016 P A B 48 -877.398 3.974 124.858 1.00855.43 P ATOM 1017 O1P A B 48 -878.292 5.143 125.068 1.00855.43 O ATOM 1018 O2P A B 48 -876.226 4.100 123.956 1.00855.43 O ATOM 1019 O5* A B 48 -876.874 3.477 126.277 1.00855.43 O ATOM 1020 C5* A B 48 -876.522 4.418 127.284 1.00855.43 C ATOM 1021 C4* A B 48 -876.040 3.697 128.520 1.00855.43 C ATOM 1022 O4* A B 48 -874.834 2.952 128.221 1.00855.43 O ATOM 1023 C3* A B 48 -875.609 4.586 129.671 1.00855.43 C ATOM 1024 O3* A B 48 -876.763 4.901 130.442 1.00855.43 O ATOM 1025 C2* A B 48 -874.643 3.720 130.478 1.00855.43 C ATOM 1026 O2* A B 48 -875.288 2.995 131.506 1.00855.43 O ATOM 1027 C1* A B 48 -874.127 2.732 129.426 1.00855.43 C ATOM 1028 N9 A B 48 -872.689 2.804 129.187 1.00855.43 N ATOM 1029 C8 A B 48 -871.659 2.211 129.871 1.00855.43 C ATOM 1030 N7 A B 48 -870.482 2.440 129.345 1.00855.43 N ATOM 1031 C5 A B 48 -870.741 3.263 128.279 1.00855.43 C ATOM 1032 C6 A B 48 -869.902 3.859 127.341 1.00855.43 C ATOM 1033 N6 A B 48 -868.583 3.718 127.338 1.00855.43 N ATOM 1034 N1 A B 48 -870.473 4.609 126.384 1.00855.43 N ATOM 1035 C2 A B 48 -871.801 4.735 126.380 1.00855.43 C ATOM 1036 N3 A B 48 -872.698 4.228 127.215 1.00855.43 N ATOM 1037 C4 A B 48 -872.095 3.491 128.156 1.00855.43 C ATOM 1038 P U B 49 -877.440 6.351 130.308 1.00855.43 P ATOM 1039 O1P U B 49 -877.479 6.709 128.867 1.00855.43 O ATOM 1040 O2P U B 49 -876.772 7.263 131.275 1.00855.43 O ATOM 1041 O5* U B 49 -878.937 6.116 130.799 1.00855.43 O ATOM 1042 C5* U B 49 -879.236 5.087 131.738 1.00855.43 C ATOM 1043 C4* U B 49 -880.652 4.601 131.544 1.00855.43 C ATOM 1044 O4* U B 49 -881.565 5.641 131.983 1.00855.43 O ATOM 1045 C3* U B 49 -881.145 4.244 130.148 1.00855.43 C ATOM 1046 O3* U B 49 -880.787 2.912 129.791 1.00855.43 O ATOM 1047 C2* U B 49 -882.658 4.392 130.266 1.00855.43 C ATOM 1048 O2* U B 49 -883.280 3.226 130.773 1.00855.43 O ATOM 1049 C1* U B 49 -882.797 5.517 131.299 1.00855.43 C ATOM 1050 N1 U B 49 -883.159 6.826 130.736 1.00855.43 N ATOM 1051 C2 U B 49 -884.435 7.292 130.981 1.00855.43 C ATOM 1052 O2 U B 49 -885.256 6.661 131.626 1.00855.43 O ATOM 1053 N3 U B 49 -884.718 8.524 130.445 1.00855.43 N ATOM 1054 C4 U B 49 -883.870 9.319 129.701 1.00855.43 C ATOM 1055 O4 U B 49 -884.268 10.414 129.295 1.00855.43 O ATOM 1056 C5 U B 49 -882.567 8.766 129.483 1.00855.43 C ATOM 1057 C6 U B 49 -882.264 7.567 129.997 1.00855.43 C ATOM 1058 P G B 50 -881.326 2.271 128.420 1.00855.43 P ATOM 1059 O1P G B 50 -881.549 3.379 127.455 1.00855.43 O ATOM 1060 O2P G B 50 -882.439 1.348 128.746 1.00855.43 O ATOM 1061 O5* G B 50 -880.102 1.403 127.888 1.00855.43 O ATOM 1062 C5* G B 50 -879.885 1.222 126.493 1.00855.43 C ATOM 1063 C4* G B 50 -878.928 0.082 126.273 1.00855.43 C ATOM 1064 O4* G B 50 -877.689 0.363 126.955 1.00855.43 O ATOM 1065 C3* G B 50 -879.365 -1.299 126.769 1.00855.43 C ATOM 1066 O3* G B 50 -880.167 -1.985 125.816 1.00855.43 O ATOM 1067 C2* G B 50 -878.032 -2.004 126.980 1.00855.43 C ATOM 1068 O2* G B 50 -877.520 -2.576 125.798 1.00855.43 O ATOM 1069 C1* G B 50 -877.122 -0.846 127.403 1.00855.43 C ATOM 1070 N9 G B 50 -876.888 -0.759 128.836 1.00855.43 N ATOM 1071 C8 G B 50 -877.807 -0.637 129.854 1.00855.43 C ATOM 1072 N7 G B 50 -877.247 -0.532 131.030 1.00855.43 N ATOM 1073 C5 G B 50 -875.888 -0.599 130.766 1.00855.43 C ATOM 1074 C6 G B 50 -874.774 -0.528 131.638 1.00855.43 C ATOM 1075 O6 G B 50 -874.770 -0.382 132.873 1.00855.43 O ATOM 1076 N1 G B 50 -873.570 -0.650 130.941 1.00855.43 N ATOM 1077 C2 G B 50 -873.457 -0.825 129.568 1.00855.43 C ATOM 1078 N2 G B 50 -872.225 -0.957 129.043 1.00855.43 N ATOM 1079 N3 G B 50 -874.488 -0.882 128.752 1.00855.43 N ATOM 1080 C4 G B 50 -875.658 -0.758 129.415 1.00855.43 C ATOM 1081 P A B 51 -881.005 -3.276 126.263 1.00855.43 P ATOM 1082 O1P A B 51 -882.403 -2.838 126.502 1.00855.43 O ATOM 1083 O2P A B 51 -880.258 -3.977 127.340 1.00855.43 O ATOM 1084 O5* A B 51 -880.990 -4.197 124.966 1.00855.43 O ATOM 1085 C5* A B 51 -881.704 -3.821 123.788 1.00855.43 C ATOM 1086 C4* A B 51 -880.986 -4.344 122.568 1.00855.43 C ATOM 1087 O4* A B 51 -879.608 -3.895 122.592 1.00855.43 O ATOM 1088 C3* A B 51 -880.864 -5.847 122.405 1.00855.43 C ATOM 1089 O3* A B 51 -882.072 -6.374 121.871 1.00855.43 O ATOM 1090 C2* A B 51 -879.665 -6.000 121.477 1.00855.43 C ATOM 1091 O2* A B 51 -880.015 -5.870 120.114 1.00855.43 O ATOM 1092 C1* A B 51 -878.788 -4.813 121.895 1.00855.43 C ATOM 1093 N9 A B 51 -877.675 -5.153 122.782 1.00855.43 N ATOM 1094 C8 A B 51 -877.674 -5.063 124.153 1.00855.43 C ATOM 1095 N7 A B 51 -876.536 -5.397 124.706 1.00855.43 N ATOM 1096 C5 A B 51 -875.729 -5.735 123.628 1.00855.43 C ATOM 1097 C6 A B 51 -874.398 -6.166 123.555 1.00855.43 C ATOM 1098 N6 A B 51 -873.615 -6.327 124.630 1.00855.43 N ATOM 1099 N1 A B 51 -873.890 -6.426 122.329 1.00855.43 N ATOM 1100 C2 A B 51 -874.680 -6.249 121.255 1.00855.43 C ATOM 1101 N3 A B 51 -875.948 -5.839 121.200 1.00855.43 N ATOM 1102 C4 A B 51 -876.421 -5.598 122.435 1.00855.43 C ATOM 1103 P A B 52 -882.386 -7.945 122.007 1.00855.43 P ATOM 1104 O1P A B 52 -883.736 -8.173 121.431 1.00855.43 O ATOM 1105 O2P A B 52 -882.105 -8.366 123.403 1.00855.43 O ATOM 1106 O5* A B 52 -881.318 -8.628 121.045 1.00855.43 O ATOM 1107 C5* A B 52 -881.441 -8.510 119.634 1.00855.43 C ATOM 1108 C4* A B 52 -880.645 -9.591 118.941 1.00855.43 C ATOM 1109 O4* A B 52 -879.229 -9.404 119.185 1.00855.43 O ATOM 1110 C3* A B 52 -880.921 -11.021 119.388 1.00855.43 C ATOM 1111 O3* A B 52 -882.076 -11.581 118.773 1.00855.43 O ATOM 1112 C2* A B 52 -879.641 -11.743 118.983 1.00855.43 C ATOM 1113 O2* A B 52 -879.636 -12.120 117.622 1.00855.43 O ATOM 1114 C1* A B 52 -878.582 -10.664 119.213 1.00855.43 C ATOM 1115 N9 A B 52 -877.897 -10.813 120.499 1.00855.43 N ATOM 1116 C8 A B 52 -878.403 -10.664 121.764 1.00855.43 C ATOM 1117 N7 A B 52 -877.524 -10.877 122.715 1.00855.43 N ATOM 1118 C5 A B 52 -876.360 -11.185 122.026 1.00855.43 C ATOM 1119 C6 A B 52 -875.061 -11.514 122.460 1.00855.43 C ATOM 1120 N6 A B 52 -874.704 -11.592 123.745 1.00855.43 N ATOM 1121 N1 A B 52 -874.128 -11.766 121.513 1.00855.43 N ATOM 1122 C2 A B 52 -874.486 -11.687 120.226 1.00855.43 C ATOM 1123 N3 A B 52 -875.672 -11.391 119.697 1.00855.43 N ATOM 1124 C4 A B 52 -876.573 -11.148 120.662 1.00855.43 C ATOM 1125 P G B 53 -883.078 -12.482 119.643 1.00855.43 P ATOM 1126 O1P G B 53 -884.021 -13.138 118.699 1.00855.43 O ATOM 1127 O2P G B 53 -883.614 -11.657 120.755 1.00855.43 O ATOM 1128 O5* G B 53 -882.137 -13.610 120.264 1.00855.43 O ATOM 1129 C5* G B 53 -881.537 -14.591 119.424 1.00855.43 C ATOM 1130 C4* G B 53 -880.373 -15.247 120.128 1.00855.43 C ATOM 1131 O4* G B 53 -879.502 -14.236 120.704 1.00855.43 O ATOM 1132 C3* G B 53 -880.666 -16.141 121.309 1.00855.43 C ATOM 1133 O3* G B 53 -881.091 -17.420 120.861 1.00855.43 O ATOM 1134 C2* G B 53 -879.330 -16.199 122.041 1.00855.43 C ATOM 1135 O2* G B 53 -878.441 -17.166 121.513 1.00855.43 O ATOM 1136 C1* G B 53 -878.772 -14.801 121.783 1.00855.43 C ATOM 1137 N9 G B 53 -878.950 -13.964 122.964 1.00855.43 N ATOM 1138 C8 G B 53 -880.064 -13.249 123.330 1.00855.43 C ATOM 1139 N7 G B 53 -879.933 -12.646 124.481 1.00855.43 N ATOM 1140 C5 G B 53 -878.649 -12.976 124.893 1.00855.43 C ATOM 1141 C6 G B 53 -877.937 -12.623 126.072 1.00855.43 C ATOM 1142 O6 G B 53 -878.318 -11.930 127.026 1.00855.43 O ATOM 1143 N1 G B 53 -876.660 -13.171 126.081 1.00855.43 N ATOM 1144 C2 G B 53 -876.131 -13.960 125.089 1.00855.43 C ATOM 1145 N2 G B 53 -874.878 -14.390 125.274 1.00855.43 N ATOM 1146 N3 G B 53 -876.784 -14.300 123.992 1.00855.43 N ATOM 1147 C4 G B 53 -878.025 -13.777 123.962 1.00855.43 C ATOM 1148 P G B 54 -881.663 -18.476 121.929 1.00855.43 P ATOM 1149 O1P G B 54 -882.434 -19.507 121.191 1.00855.43 O ATOM 1150 O2P G B 54 -882.319 -17.714 123.023 1.00855.43 O ATOM 1151 O5* G B 54 -880.344 -19.151 122.511 1.00855.43 O ATOM 1152 C5* G B 54 -880.351 -19.862 123.741 1.00855.43 C ATOM 1153 C4* G B 54 -878.944 -19.959 124.277 1.00855.43 C ATOM 1154 O4* G B 54 -878.292 -18.668 124.162 1.00855.43 O ATOM 1155 C3* G B 54 -878.815 -20.347 125.751 1.00855.43 C ATOM 1156 O3* G B 54 -878.831 -21.751 125.976 1.00855.43 O ATOM 1157 C2* G B 54 -877.477 -19.729 126.134 1.00855.43 C ATOM 1158 O2* G B 54 -876.383 -20.545 125.771 1.00855.43 O ATOM 1159 C1* G B 54 -877.459 -18.455 125.289 1.00855.43 C ATOM 1160 N9 G B 54 -877.938 -17.286 126.019 1.00855.43 N ATOM 1161 C8 G B 54 -879.047 -16.519 125.745 1.00855.43 C ATOM 1162 N7 G B 54 -879.217 -15.542 126.596 1.00855.43 N ATOM 1163 C5 G B 54 -878.153 -15.670 127.481 1.00855.43 C ATOM 1164 C6 G B 54 -877.803 -14.895 128.620 1.00855.43 C ATOM 1165 O6 G B 54 -878.378 -13.904 129.091 1.00855.43 O ATOM 1166 N1 G B 54 -876.649 -15.379 129.231 1.00855.43 N ATOM 1167 C2 G B 54 -875.928 -16.463 128.806 1.00855.43 C ATOM 1168 N2 G B 54 -874.847 -16.781 129.536 1.00855.43 N ATOM 1169 N3 G B 54 -876.238 -17.191 127.743 1.00855.43 N ATOM 1170 C4 G B 54 -877.358 -16.740 127.137 1.00855.43 C ATOM 1171 P A B 55 -879.733 -22.359 127.157 1.00855.43 P ATOM 1172 O1P A B 55 -879.953 -23.796 126.844 1.00855.43 O ATOM 1173 O2P A B 55 -880.901 -21.468 127.366 1.00855.43 O ATOM 1174 O5* A B 55 -878.798 -22.277 128.445 1.00855.43 O ATOM 1175 C5* A B 55 -877.669 -23.136 128.581 1.00855.43 C ATOM 1176 C4* A B 55 -876.759 -22.640 129.684 1.00855.43 C ATOM 1177 O4* A B 55 -876.288 -21.301 129.384 1.00855.43 O ATOM 1178 C3* A B 55 -877.464 -22.542 131.027 1.00855.43 C ATOM 1179 O3* A B 55 -877.368 -23.766 131.741 1.00855.43 O ATOM 1180 C2* A B 55 -876.719 -21.411 131.726 1.00855.43 C ATOM 1181 O2* A B 55 -875.540 -21.849 132.367 1.00855.43 O ATOM 1182 C1* A B 55 -876.361 -20.499 130.552 1.00855.43 C ATOM 1183 N9 A B 55 -877.369 -19.464 130.334 1.00855.43 N ATOM 1184 C8 A B 55 -878.280 -19.385 129.308 1.00855.43 C ATOM 1185 N7 A B 55 -879.076 -18.350 129.391 1.00855.43 N ATOM 1186 C5 A B 55 -878.662 -17.699 130.544 1.00855.43 C ATOM 1187 C6 A B 55 -879.109 -16.533 131.181 1.00855.43 C ATOM 1188 N6 A B 55 -880.118 -15.790 130.727 1.00855.43 N ATOM 1189 N1 A B 55 -878.480 -16.155 132.317 1.00855.43 N ATOM 1190 C2 A B 55 -877.472 -16.910 132.772 1.00855.43 C ATOM 1191 N3 A B 55 -876.962 -18.031 132.261 1.00855.43 N ATOM 1192 C4 A B 55 -877.608 -18.375 131.133 1.00855.43 C ATOM 1193 P C B 56 -878.629 -24.760 131.779 1.00855.43 P ATOM 1194 O1P C B 56 -878.127 -26.138 131.555 1.00855.43 O ATOM 1195 O2P C B 56 -879.684 -24.205 130.892 1.00855.43 O ATOM 1196 O5* C B 56 -879.154 -24.661 133.279 1.00855.43 O ATOM 1197 C5* C B 56 -878.349 -25.098 134.369 1.00855.43 C ATOM 1198 C4* C B 56 -878.201 -23.989 135.382 1.00855.43 C ATOM 1199 O4* C B 56 -877.705 -22.802 134.708 1.00855.43 O ATOM 1200 C3* C B 56 -879.480 -23.536 136.061 1.00855.43 C ATOM 1201 O3* C B 56 -879.772 -24.334 137.199 1.00855.43 O ATOM 1202 C2* C B 56 -879.183 -22.089 136.432 1.00855.43 C ATOM 1203 O2* C B 56 -878.457 -21.977 137.641 1.00855.43 O ATOM 1204 C1* C B 56 -878.315 -21.645 135.255 1.00855.43 C ATOM 1205 N1 C B 56 -879.128 -21.021 134.201 1.00855.43 N ATOM 1206 C2 C B 56 -879.134 -19.629 134.087 1.00855.43 C ATOM 1207 O2 C B 56 -878.432 -18.966 134.859 1.00855.43 O ATOM 1208 N3 C B 56 -879.900 -19.048 133.136 1.00855.43 N ATOM 1209 C4 C B 56 -880.638 -19.802 132.318 1.00855.43 C ATOM 1210 N4 C B 56 -881.385 -19.184 131.403 1.00855.43 N ATOM 1211 C5 C B 56 -880.640 -21.222 132.407 1.00855.43 C ATOM 1212 C6 C B 56 -879.876 -21.784 133.352 1.00855.43 C ATOM 1213 P G B 57 -881.303 -24.567 137.624 1.00855.43 P ATOM 1214 O1P G B 57 -881.311 -25.323 138.899 1.00855.43 O ATOM 1215 O2P G B 57 -882.035 -25.107 136.448 1.00855.43 O ATOM 1216 O5* G B 57 -881.835 -23.093 137.912 1.00855.43 O ATOM 1217 C5* G B 57 -883.165 -22.866 138.359 1.00855.43 C ATOM 1218 C4* G B 57 -883.472 -21.386 138.348 1.00855.43 C ATOM 1219 O4* G B 57 -883.188 -20.842 137.036 1.00855.43 O ATOM 1220 C3* G B 57 -884.913 -20.997 138.625 1.00855.43 C ATOM 1221 O3* G B 57 -885.174 -20.950 140.020 1.00855.43 O ATOM 1222 C2* G B 57 -885.028 -19.636 137.948 1.00855.43 C ATOM 1223 O2* G B 57 -884.532 -18.585 138.755 1.00855.43 O ATOM 1224 C1* G B 57 -884.120 -19.820 136.729 1.00855.43 C ATOM 1225 N9 G B 57 -884.843 -20.239 135.534 1.00855.43 N ATOM 1226 C8 G B 57 -884.717 -21.446 134.887 1.00855.43 C ATOM 1227 N7 G B 57 -885.495 -21.552 133.847 1.00855.43 N ATOM 1228 C5 G B 57 -886.173 -20.343 133.799 1.00855.43 C ATOM 1229 C6 G B 57 -887.148 -19.881 132.889 1.00855.43 C ATOM 1230 O6 G B 57 -887.622 -20.465 131.907 1.00855.43 O ATOM 1231 N1 G B 57 -887.581 -18.596 133.213 1.00855.43 N ATOM 1232 C2 G B 57 -887.127 -17.855 134.275 1.00855.43 C ATOM 1233 N2 G B 57 -887.671 -16.637 134.421 1.00855.43 N ATOM 1234 N3 G B 57 -886.212 -18.275 135.132 1.00855.43 N ATOM 1235 C4 G B 57 -885.782 -19.522 134.836 1.00855.43 C ATOM 1236 P C B 58 -886.288 -21.921 140.647 1.00855.43 P ATOM 1237 O1P C B 58 -886.058 -21.974 142.115 1.00855.43 O ATOM 1238 O2P C B 58 -886.299 -23.181 139.863 1.00855.43 O ATOM 1239 O5* C B 58 -887.662 -21.164 140.383 1.00855.43 O ATOM 1240 C5* C B 58 -888.901 -21.800 140.664 1.00855.43 C ATOM 1241 C4* C B 58 -890.025 -20.793 140.677 1.00855.43 C ATOM 1242 O4* C B 58 -890.155 -20.194 139.362 1.00855.43 O ATOM 1243 C3* C B 58 -891.382 -21.399 140.932 1.00855.43 C ATOM 1244 O3* C B 58 -891.613 -21.575 142.325 1.00855.43 O ATOM 1245 C2* C B 58 -892.337 -20.403 140.290 1.00855.43 C ATOM 1246 O2* C B 58 -892.639 -19.314 141.135 1.00855.43 O ATOM 1247 C1* C B 58 -891.519 -19.921 139.091 1.00855.43 C ATOM 1248 N1 C B 58 -891.868 -20.603 137.835 1.00855.43 N ATOM 1249 C2 C B 58 -892.721 -19.969 136.922 1.00855.43 C ATOM 1250 O2 C B 58 -893.141 -18.832 137.182 1.00855.43 O ATOM 1251 N3 C B 58 -893.061 -20.612 135.780 1.00855.43 N ATOM 1252 C4 C B 58 -892.577 -21.832 135.533 1.00855.43 C ATOM 1253 N4 C B 58 -892.947 -22.431 134.398 1.00855.43 N ATOM 1254 C5 C B 58 -891.699 -22.491 136.438 1.00855.43 C ATOM 1255 C6 C B 58 -891.371 -21.849 137.565 1.00855.43 C ATOM 1256 P G B 59 -891.948 -23.039 142.896 1.00855.43 P ATOM 1257 O1P G B 59 -891.778 -22.984 144.367 1.00855.43 O ATOM 1258 O2P G B 59 -891.176 -24.031 142.104 1.00855.43 O ATOM 1259 O5* G B 59 -893.497 -23.245 142.578 1.00855.43 O ATOM 1260 C5* G B 59 -893.957 -23.363 141.234 1.00855.43 C ATOM 1261 C4* G B 59 -895.320 -22.729 141.093 1.00855.43 C ATOM 1262 O4* G B 59 -895.586 -22.426 139.701 1.00855.43 O ATOM 1263 C3* G B 59 -896.505 -23.568 141.558 1.00855.43 C ATOM 1264 O3* G B 59 -896.709 -23.421 142.961 1.00855.43 O ATOM 1265 C2* G B 59 -897.664 -22.998 140.741 1.00855.43 C ATOM 1266 O2* G B 59 -898.255 -21.869 141.354 1.00855.43 O ATOM 1267 C1* G B 59 -896.969 -22.561 139.446 1.00855.43 C ATOM 1268 N9 G B 59 -897.138 -23.438 138.295 1.00855.43 N ATOM 1269 C8 G B 59 -896.147 -23.978 137.512 1.00855.43 C ATOM 1270 N7 G B 59 -896.603 -24.688 136.518 1.00855.43 N ATOM 1271 C5 G B 59 -897.983 -24.622 136.654 1.00855.43 C ATOM 1272 C6 G B 59 -899.014 -25.191 135.863 1.00855.43 C ATOM 1273 O6 G B 59 -898.911 -25.883 134.842 1.00855.43 O ATOM 1274 N1 G B 59 -900.274 -24.881 136.365 1.00855.43 N ATOM 1275 C2 G B 59 -900.512 -24.116 137.481 1.00855.43 C ATOM 1276 N2 G B 59 -901.800 -23.935 137.806 1.00855.43 N ATOM 1277 N3 G B 59 -899.563 -23.572 138.221 1.00855.43 N ATOM 1278 C4 G B 59 -898.331 -23.864 137.754 1.00855.43 C ATOM 1279 P A B 60 -897.626 -24.476 143.755 1.00855.43 P ATOM 1280 O1P A B 60 -898.687 -24.941 142.828 1.00855.43 O ATOM 1281 O2P A B 60 -898.001 -23.873 145.058 1.00855.43 O ATOM 1282 O5* A B 60 -896.650 -25.699 144.049 1.00855.43 O ATOM 1283 C5* A B 60 -896.108 -25.908 145.350 1.00855.43 C ATOM 1284 C4* A B 60 -896.361 -27.329 145.785 1.00855.43 C ATOM 1285 O4* A B 60 -897.791 -27.547 145.898 1.00855.43 O ATOM 1286 C3* A B 60 -896.002 -28.417 144.797 1.00855.43 C ATOM 1287 O3* A B 60 -894.609 -28.672 144.883 1.00855.43 O ATOM 1288 C2* A B 60 -896.852 -29.615 145.197 1.00855.43 C ATOM 1289 O2* A B 60 -896.225 -30.430 146.163 1.00855.43 O ATOM 1290 C1* A B 60 -898.079 -28.931 145.798 1.00855.43 C ATOM 1291 N9 A B 60 -899.256 -29.078 144.948 1.00855.43 N ATOM 1292 C8 A B 60 -899.783 -28.143 144.090 1.00855.43 C ATOM 1293 N7 A B 60 -900.835 -28.565 143.429 1.00855.43 N ATOM 1294 C5 A B 60 -901.013 -29.862 143.885 1.00855.43 C ATOM 1295 C6 A B 60 -901.961 -30.853 143.569 1.00855.43 C ATOM 1296 N6 A B 60 -902.940 -30.679 142.680 1.00855.43 N ATOM 1297 N1 A B 60 -901.867 -32.040 144.203 1.00855.43 N ATOM 1298 C2 A B 60 -900.877 -32.212 145.093 1.00855.43 C ATOM 1299 N3 A B 60 -899.927 -31.361 145.473 1.00855.43 N ATOM 1300 C4 A B 60 -900.051 -30.191 144.823 1.00855.43 C ATOM 1301 P U B 61 -893.646 -28.174 143.699 1.00855.43 P ATOM 1302 O1P U B 61 -892.247 -28.259 144.190 1.00855.43 O ATOM 1303 O2P U B 61 -894.164 -26.880 143.185 1.00855.43 O ATOM 1304 O5* U B 61 -893.844 -29.279 142.568 1.00855.43 O ATOM 1305 C5* U B 61 -893.694 -30.662 142.872 1.00855.43 C ATOM 1306 C4* U B 61 -893.130 -31.404 141.685 1.00855.43 C ATOM 1307 O4* U B 61 -894.134 -31.569 140.650 1.00855.43 O ATOM 1308 C3* U B 61 -891.972 -30.742 140.975 1.00855.43 C ATOM 1309 O3* U B 61 -890.762 -30.984 141.675 1.00855.43 O ATOM 1310 C2* U B 61 -892.001 -31.389 139.595 1.00855.43 C ATOM 1311 O2* U B 61 -891.314 -32.624 139.558 1.00855.43 O ATOM 1312 C1* U B 61 -893.497 -31.629 139.384 1.00855.43 C ATOM 1313 N1 U B 61 -894.113 -30.632 138.497 1.00855.43 N ATOM 1314 C2 U B 61 -894.610 -31.080 137.287 1.00855.43 C ATOM 1315 O2 U B 61 -894.570 -32.254 136.953 1.00855.43 O ATOM 1316 N3 U B 61 -895.155 -30.110 136.487 1.00855.43 N ATOM 1317 C4 U B 61 -895.251 -28.761 136.767 1.00855.43 C ATOM 1318 O4 U B 61 -895.766 -28.008 135.938 1.00855.43 O ATOM 1319 C5 U B 61 -894.719 -28.377 138.040 1.00855.43 C ATOM 1320 C6 U B 61 -894.183 -29.304 138.842 1.00855.43 C ATOM 1321 P U B 62 -889.533 -29.967 141.492 1.00855.43 P ATOM 1322 O1P U B 62 -888.392 -30.481 142.290 1.00855.43 O ATOM 1323 O2P U B 62 -890.040 -28.591 141.736 1.00855.43 O ATOM 1324 O5* U B 62 -889.164 -30.090 139.948 1.00855.43 O ATOM 1325 C5* U B 62 -888.788 -28.942 139.195 1.00855.43 C ATOM 1326 C4* U B 62 -888.846 -29.246 137.721 1.00855.43 C ATOM 1327 O4* U B 62 -890.230 -29.372 137.306 1.00855.43 O ATOM 1328 C3* U B 62 -888.288 -28.201 136.773 1.00855.43 C ATOM 1329 O3* U B 62 -886.877 -28.313 136.671 1.00855.43 O ATOM 1330 C2* U B 62 -888.989 -28.521 135.459 1.00855.43 C ATOM 1331 O2* U B 62 -888.343 -29.546 134.731 1.00855.43 O ATOM 1332 C1* U B 62 -890.355 -29.015 135.941 1.00855.43 C ATOM 1333 N1 U B 62 -891.408 -27.999 135.826 1.00855.43 N ATOM 1334 C2 U B 62 -892.361 -28.168 134.840 1.00855.43 C ATOM 1335 O2 U B 62 -892.362 -29.119 134.077 1.00855.43 O ATOM 1336 N3 U B 62 -893.316 -27.184 134.784 1.00855.43 N ATOM 1337 C4 U B 62 -893.411 -26.069 135.591 1.00855.43 C ATOM 1338 O4 U B 62 -894.329 -25.270 135.413 1.00855.43 O ATOM 1339 C5 U B 62 -892.389 -25.966 136.588 1.00855.43 C ATOM 1340 C6 U B 62 -891.445 -26.909 136.668 1.00855.43 C ATOM 1341 P A B 63 -886.087 -27.413 135.600 1.00855.43 P ATOM 1342 O1P A B 63 -884.682 -27.344 136.052 1.00855.43 O ATOM 1343 O2P A B 63 -886.851 -26.157 135.374 1.00855.43 O ATOM 1344 O5* A B 63 -886.132 -28.280 134.269 1.00855.43 O ATOM 1345 C5* A B 63 -885.074 -29.174 133.953 1.00855.43 C ATOM 1346 C4* A B 63 -885.466 -30.072 132.810 1.00855.43 C ATOM 1347 O4* A B 63 -886.445 -31.049 133.246 1.00855.43 O ATOM 1348 C3* A B 63 -886.114 -29.419 131.602 1.00855.43 C ATOM 1349 O3* A B 63 -885.134 -28.854 130.742 1.00855.43 O ATOM 1350 C2* A B 63 -886.855 -30.579 130.943 1.00855.43 C ATOM 1351 O2* A B 63 -886.026 -31.338 130.088 1.00855.43 O ATOM 1352 C1* A B 63 -887.253 -31.432 132.145 1.00855.43 C ATOM 1353 N9 A B 63 -888.664 -31.283 132.504 1.00855.43 N ATOM 1354 C8 A B 63 -889.628 -30.487 131.933 1.00855.43 C ATOM 1355 N7 A B 63 -890.811 -30.611 132.489 1.00855.43 N ATOM 1356 C5 A B 63 -890.613 -31.546 133.496 1.00855.43 C ATOM 1357 C6 A B 63 -891.478 -32.121 134.451 1.00855.43 C ATOM 1358 N6 A B 63 -892.775 -31.821 134.564 1.00855.43 N ATOM 1359 N1 A B 63 -890.956 -33.029 135.303 1.00855.43 N ATOM 1360 C2 A B 63 -889.656 -33.329 135.200 1.00855.43 C ATOM 1361 N3 A B 63 -888.745 -32.860 134.352 1.00855.43 N ATOM 1362 C4 A B 63 -889.294 -31.964 133.518 1.00855.43 C ATOM 1363 P C B 64 -885.585 -27.817 129.599 1.00855.43 P ATOM 1364 O1P C B 64 -884.455 -26.874 129.385 1.00855.43 O ATOM 1365 O2P C B 64 -886.926 -27.287 129.950 1.00855.43 O ATOM 1366 O5* C B 64 -885.724 -28.728 128.299 1.00855.43 O ATOM 1367 C5* C B 64 -884.895 -28.498 127.167 1.00855.43 C ATOM 1368 C4* C B 64 -885.708 -28.505 125.892 1.00855.43 C ATOM 1369 O4* C B 64 -886.199 -29.839 125.608 1.00855.43 O ATOM 1370 C3* C B 64 -886.938 -27.619 125.958 1.00855.43 C ATOM 1371 O3* C B 64 -886.619 -26.278 125.605 1.00855.43 O ATOM 1372 C2* C B 64 -887.869 -28.269 124.940 1.00855.43 C ATOM 1373 O2* C B 64 -887.597 -27.859 123.614 1.00855.43 O ATOM 1374 C1* C B 64 -887.514 -29.751 125.083 1.00855.43 C ATOM 1375 N1 C B 64 -888.434 -30.483 125.973 1.00855.43 N ATOM 1376 C2 C B 64 -889.495 -31.193 125.396 1.00855.43 C ATOM 1377 O2 C B 64 -889.627 -31.183 124.161 1.00855.43 O ATOM 1378 N3 C B 64 -890.352 -31.866 126.197 1.00855.43 N ATOM 1379 C4 C B 64 -890.179 -31.854 127.521 1.00855.43 C ATOM 1380 N4 C B 64 -891.048 -32.535 128.271 1.00855.43 N ATOM 1381 C5 C B 64 -889.108 -31.136 128.133 1.00855.43 C ATOM 1382 C6 C B 64 -888.266 -30.472 127.327 1.00855.43 C ATOM 1383 P C B 65 -886.622 -25.141 126.738 1.00855.43 P ATOM 1384 O1P C B 65 -885.221 -24.695 126.927 1.00855.43 O ATOM 1385 O2P C B 65 -887.397 -25.650 127.901 1.00855.43 O ATOM 1386 O5* C B 65 -887.442 -23.943 126.082 1.00855.43 O ATOM 1387 C5* C B 65 -887.453 -23.756 124.673 1.00855.43 C ATOM 1388 C4* C B 65 -888.869 -23.646 124.163 1.00855.43 C ATOM 1389 O4* C B 65 -889.584 -24.877 124.445 1.00855.43 O ATOM 1390 C3* C B 65 -889.710 -22.549 124.805 1.00855.43 C ATOM 1391 O3* C B 65 -889.525 -21.277 124.185 1.00855.43 O ATOM 1392 C2* C B 65 -891.134 -23.069 124.620 1.00855.43 C ATOM 1393 O2* C B 65 -891.660 -22.768 123.342 1.00855.43 O ATOM 1394 C1* C B 65 -890.940 -24.584 124.738 1.00855.43 C ATOM 1395 N1 C B 65 -891.260 -25.117 126.072 1.00855.43 N ATOM 1396 C2 C B 65 -892.559 -25.578 126.314 1.00855.43 C ATOM 1397 O2 C B 65 -893.394 -25.528 125.400 1.00855.43 O ATOM 1398 N3 C B 65 -892.869 -26.070 127.538 1.00855.43 N ATOM 1399 C4 C B 65 -891.942 -26.107 128.495 1.00855.43 C ATOM 1400 N4 C B 65 -892.290 -26.600 129.688 1.00855.43 N ATOM 1401 C5 C B 65 -890.611 -25.643 128.274 1.00855.43 C ATOM 1402 C6 C B 65 -890.316 -25.161 127.060 1.00855.43 C ATOM 1403 P U B 66 -889.985 -19.937 124.950 1.00855.43 P ATOM 1404 O1P U B 66 -889.734 -18.797 124.030 1.00855.43 O ATOM 1405 O2P U B 66 -889.378 -19.934 126.304 1.00855.43 O ATOM 1406 O5* U B 66 -891.562 -20.098 125.106 1.00855.43 O ATOM 1407 C5* U B 66 -892.436 -19.593 124.104 1.00855.43 C ATOM 1408 C4* U B 66 -893.578 -18.830 124.730 1.00855.43 C ATOM 1409 O4* U B 66 -894.479 -19.770 125.371 1.00855.43 O ATOM 1410 C3* U B 66 -893.156 -17.879 125.825 1.00855.43 C ATOM 1411 O3* U B 66 -892.815 -16.610 125.288 1.00855.43 O ATOM 1412 C2* U B 66 -894.420 -17.769 126.666 1.00855.43 C ATOM 1413 O2* U B 66 -895.336 -16.816 126.167 1.00855.43 O ATOM 1414 C1* U B 66 -895.024 -19.163 126.523 1.00855.43 C ATOM 1415 N1 U B 66 -894.754 -19.976 127.712 1.00855.43 N ATOM 1416 C2 U B 66 -895.840 -20.214 128.520 1.00855.43 C ATOM 1417 O2 U B 66 -896.965 -19.884 128.225 1.00855.43 O ATOM 1418 N3 U B 66 -895.569 -20.851 129.686 1.00855.43 N ATOM 1419 C4 U B 66 -894.352 -21.300 130.113 1.00855.43 C ATOM 1420 O4 U B 66 -894.271 -21.651 131.275 1.00855.43 O ATOM 1421 C5 U B 66 -893.264 -21.088 129.194 1.00855.43 C ATOM 1422 C6 U B 66 -893.500 -20.443 128.043 1.00855.43 C ATOM 1423 P G B 67 -891.315 -16.053 125.451 1.00855.43 P ATOM 1424 O1P G B 67 -890.920 -15.460 124.148 1.00855.43 O ATOM 1425 O2P G B 67 -890.486 -17.133 126.049 1.00855.43 O ATOM 1426 O5* G B 67 -891.444 -14.876 126.518 1.00855.43 O ATOM 1427 C5* G B 67 -892.558 -13.984 126.494 1.00855.43 C ATOM 1428 C4* G B 67 -893.170 -13.866 127.871 1.00855.43 C ATOM 1429 O4* G B 67 -893.698 -15.138 128.313 1.00855.43 O ATOM 1430 C3* G B 67 -892.215 -13.442 128.980 1.00855.43 C ATOM 1431 O3* G B 67 -892.047 -12.027 128.992 1.00855.43 O ATOM 1432 C2* G B 67 -892.899 -13.971 130.239 1.00855.43 C ATOM 1433 O2* G B 67 -893.882 -13.085 130.738 1.00855.43 O ATOM 1434 C1* G B 67 -893.587 -15.236 129.723 1.00855.43 C ATOM 1435 N9 G B 67 -892.919 -16.496 130.032 1.00855.43 N ATOM 1436 C8 G B 67 -892.183 -17.271 129.171 1.00855.43 C ATOM 1437 N7 G B 67 -891.779 -18.390 129.706 1.00855.43 N ATOM 1438 C5 G B 67 -892.264 -18.346 131.005 1.00855.43 C ATOM 1439 C6 G B 67 -892.163 -19.298 132.061 1.00855.43 C ATOM 1440 O6 G B 67 -891.624 -20.405 132.052 1.00855.43 O ATOM 1441 N1 G B 67 -892.784 -18.846 133.216 1.00855.43 N ATOM 1442 C2 G B 67 -893.433 -17.648 133.346 1.00855.43 C ATOM 1443 N2 G B 67 -893.971 -17.401 134.551 1.00855.43 N ATOM 1444 N3 G B 67 -893.548 -16.758 132.372 1.00855.43 N ATOM 1445 C4 G B 67 -892.943 -17.172 131.234 1.00855.43 C ATOM 1446 P C B 68 -890.574 -11.395 128.883 1.00855.43 P ATOM 1447 O1P C B 68 -890.605 -10.390 127.792 1.00855.43 O ATOM 1448 O2P C B 68 -889.591 -12.507 128.830 1.00855.43 O ATOM 1449 O5* C B 68 -890.396 -10.627 130.266 1.00855.43 O ATOM 1450 C5* C B 68 -889.381 -11.004 131.185 1.00855.43 C ATOM 1451 C4* C B 68 -890.000 -11.651 132.400 1.00855.43 C ATOM 1452 O4* C B 68 -890.871 -12.727 131.960 1.00855.43 O ATOM 1453 C3* C B 68 -889.035 -12.301 133.358 1.00855.43 C ATOM 1454 O3* C B 68 -888.586 -11.330 134.290 1.00855.43 O ATOM 1455 C2* C B 68 -889.876 -13.387 134.010 1.00855.43 C ATOM 1456 O2* C B 68 -890.684 -12.893 135.062 1.00855.43 O ATOM 1457 C1* C B 68 -890.751 -13.833 132.838 1.00855.43 C ATOM 1458 N1 C B 68 -890.107 -14.924 132.086 1.00855.43 N ATOM 1459 C2 C B 68 -890.111 -16.217 132.622 1.00855.43 C ATOM 1460 O2 C B 68 -890.696 -16.424 133.702 1.00855.43 O ATOM 1461 N3 C B 68 -889.480 -17.211 131.956 1.00855.43 N ATOM 1462 C4 C B 68 -888.874 -16.954 130.794 1.00855.43 C ATOM 1463 N4 C B 68 -888.251 -17.961 130.178 1.00855.43 N ATOM 1464 C5 C B 68 -888.873 -15.653 130.215 1.00855.43 C ATOM 1465 C6 C B 68 -889.497 -14.679 130.889 1.00855.43 C ATOM 1466 P G B 69 -887.200 -11.576 135.062 1.00855.43 P ATOM 1467 O1P G B 69 -887.016 -10.489 136.050 1.00855.43 O ATOM 1468 O2P G B 69 -886.147 -11.825 134.040 1.00855.43 O ATOM 1469 O5* G B 69 -887.443 -12.934 135.857 1.00855.43 O ATOM 1470 C5* G B 69 -887.758 -12.926 137.249 1.00855.43 C ATOM 1471 C4* G B 69 -886.791 -13.811 137.996 1.00855.43 C ATOM 1472 O4* G B 69 -886.608 -15.036 137.250 1.00855.43 O ATOM 1473 C3* G B 69 -885.388 -13.237 138.197 1.00855.43 C ATOM 1474 O3* G B 69 -885.285 -12.517 139.425 1.00855.43 O ATOM 1475 C2* G B 69 -884.521 -14.492 138.272 1.00855.43 C ATOM 1476 O2* G B 69 -884.475 -15.039 139.574 1.00855.43 O ATOM 1477 C1* G B 69 -885.264 -15.453 137.342 1.00855.43 C ATOM 1478 N9 G B 69 -884.710 -15.508 135.995 1.00855.43 N ATOM 1479 C8 G B 69 -885.220 -14.941 134.852 1.00855.43 C ATOM 1480 N7 G B 69 -884.502 -15.192 133.791 1.00855.43 N ATOM 1481 C5 G B 69 -883.453 -15.966 134.266 1.00855.43 C ATOM 1482 C6 G B 69 -882.355 -16.550 133.583 1.00855.43 C ATOM 1483 O6 G B 69 -882.084 -16.503 132.379 1.00855.43 O ATOM 1484 N1 G B 69 -881.528 -17.253 134.452 1.00855.43 N ATOM 1485 C2 G B 69 -881.733 -17.380 135.808 1.00855.43 C ATOM 1486 N2 G B 69 -880.821 -18.087 136.486 1.00855.43 N ATOM 1487 N3 G B 69 -882.754 -16.850 136.449 1.00855.43 N ATOM 1488 C4 G B 69 -883.565 -16.161 135.625 1.00855.43 C ATOM 1489 P A B 70 -884.860 -10.358 139.334 1.00853.96 P ATOM 1490 O1P A B 70 -884.812 -9.849 137.939 1.00853.96 O ATOM 1491 O2P A B 70 -883.860 -9.887 140.316 1.00853.96 O ATOM 1492 O5* A B 70 -886.287 -10.044 139.970 1.00853.96 O ATOM 1493 C5* A B 70 -886.497 -10.203 141.369 1.00853.96 C ATOM 1494 C4* A B 70 -887.303 -11.448 141.639 1.00853.96 C ATOM 1495 O4* A B 70 -886.717 -12.596 140.978 1.00853.96 O ATOM 1496 C3* A B 70 -887.409 -11.844 143.096 1.00853.96 C ATOM 1497 O3* A B 70 -888.486 -11.134 143.682 1.00853.96 O ATOM 1498 C2* A B 70 -887.696 -13.340 143.028 1.00853.96 C ATOM 1499 O2* A B 70 -889.073 -13.620 142.877 1.00853.96 O ATOM 1500 C1* A B 70 -886.961 -13.755 141.753 1.00853.96 C ATOM 1501 N9 A B 70 -885.695 -14.453 141.979 1.00853.96 N ATOM 1502 C8 A B 70 -884.498 -13.949 142.425 1.00853.96 C ATOM 1503 N7 A B 70 -883.552 -14.854 142.531 1.00853.96 N ATOM 1504 C5 A B 70 -884.168 -16.029 142.127 1.00853.96 C ATOM 1505 C6 A B 70 -883.706 -17.352 142.017 1.00853.96 C ATOM 1506 N6 A B 70 -882.461 -17.731 142.314 1.00853.96 N ATOM 1507 N1 A B 70 -884.578 -18.289 141.581 1.00853.96 N ATOM 1508 C2 A B 70 -885.828 -17.911 141.283 1.00853.96 C ATOM 1509 N3 A B 70 -886.380 -16.702 141.349 1.00853.96 N ATOM 1510 C4 A B 70 -885.488 -15.795 141.786 1.00853.96 C ATOM 1511 P A B 71 -888.200 -9.907 144.675 1.00853.96 P ATOM 1512 O1P A B 71 -887.152 -9.056 144.056 1.00853.96 O ATOM 1513 O2P A B 71 -887.998 -10.447 146.044 1.00853.96 O ATOM 1514 O5* A B 71 -889.577 -9.106 144.642 1.00853.96 O ATOM 1515 C5* A B 71 -890.829 -9.783 144.781 1.00853.96 C ATOM 1516 C4* A B 71 -891.631 -9.689 143.499 1.00853.96 C ATOM 1517 O4* A B 71 -891.949 -8.296 143.240 1.00853.96 O ATOM 1518 C3* A B 71 -890.915 -10.111 142.239 1.00853.96 C ATOM 1519 O3* A B 71 -890.814 -11.532 142.071 1.00853.96 O ATOM 1520 C2* A B 71 -891.557 -9.310 141.105 1.00853.96 C ATOM 1521 O2* A B 71 -892.625 -9.949 140.431 1.00853.96 O ATOM 1522 C1* A B 71 -892.083 -8.076 141.847 1.00853.96 C ATOM 1523 N9 A B 71 -891.413 -6.815 141.525 1.00853.96 N ATOM 1524 C8 A B 71 -890.440 -6.164 142.242 1.00853.96 C ATOM 1525 N7 A B 71 -890.074 -5.017 141.720 1.00853.96 N ATOM 1526 C5 A B 71 -890.856 -4.909 140.577 1.00853.96 C ATOM 1527 C6 A B 71 -890.953 -3.915 139.586 1.00853.96 C ATOM 1528 N6 A B 71 -890.246 -2.783 139.599 1.00853.96 N ATOM 1529 N1 A B 71 -891.816 -4.122 138.572 1.00853.96 N ATOM 1530 C2 A B 71 -892.532 -5.249 138.563 1.00853.96 C ATOM 1531 N3 A B 71 -892.540 -6.252 139.439 1.00853.96 N ATOM 1532 C4 A B 71 -891.669 -6.017 140.433 1.00853.96 C ATOM 1533 P A B 72 -892.138 -12.436 141.874 1.00853.96 P ATOM 1534 O1P A B 72 -893.334 -11.574 142.073 1.00853.96 O ATOM 1535 O2P A B 72 -891.975 -13.650 142.707 1.00853.96 O ATOM 1536 O5* A B 72 -892.094 -12.896 140.346 1.00853.96 O ATOM 1537 C5* A B 72 -890.929 -13.502 139.785 1.00853.96 C ATOM 1538 C4* A B 72 -891.179 -13.860 138.336 1.00853.96 C ATOM 1539 O4* A B 72 -889.928 -14.117 137.645 1.00853.96 O ATOM 1540 C3* A B 72 -892.064 -15.073 138.092 1.00853.96 C ATOM 1541 O3* A B 72 -893.440 -14.722 138.077 1.00853.96 O ATOM 1542 C2* A B 72 -891.606 -15.536 136.713 1.00853.96 C ATOM 1543 O2* A B 72 -892.249 -14.842 135.662 1.00853.96 O ATOM 1544 C1* A B 72 -890.119 -15.178 136.725 1.00853.96 C ATOM 1545 N9 A B 72 -889.261 -16.308 137.083 1.00853.96 N ATOM 1546 C8 A B 72 -888.405 -16.451 138.145 1.00853.96 C ATOM 1547 N7 A B 72 -887.810 -17.622 138.190 1.00853.96 N ATOM 1548 C5 A B 72 -888.305 -18.288 137.077 1.00853.96 C ATOM 1549 C6 A B 72 -888.069 -19.572 136.558 1.00853.96 C ATOM 1550 N6 A B 72 -887.253 -20.464 137.124 1.00853.96 N ATOM 1551 N1 A B 72 -888.709 -19.918 135.420 1.00853.96 N ATOM 1552 C2 A B 72 -889.536 -19.028 134.855 1.00853.96 C ATOM 1553 N3 A B 72 -889.849 -17.800 135.254 1.00853.96 N ATOM 1554 C4 A B 72 -889.189 -17.484 136.382 1.00853.96 C ATOM 1555 P A B 73 -894.551 -15.852 138.360 1.00853.96 P ATOM 1556 O1P A B 73 -895.690 -15.205 139.060 1.00853.96 O ATOM 1557 O2P A B 73 -893.870 -17.015 138.986 1.00853.96 O ATOM 1558 O5* A B 73 -895.038 -16.288 136.908 1.00853.96 O ATOM 1559 C5* A B 73 -896.428 -16.411 136.614 1.00853.96 C ATOM 1560 C4* A B 73 -896.702 -15.988 135.186 1.00853.96 C ATOM 1561 O4* A B 73 -896.001 -16.860 134.265 1.00853.96 O ATOM 1562 C3* A B 73 -898.149 -16.035 134.735 1.00853.96 C ATOM 1563 O3* A B 73 -898.845 -14.881 135.224 1.00853.96 O ATOM 1564 C2* A B 73 -898.031 -16.169 133.215 1.00853.96 C ATOM 1565 O2* A B 73 -897.816 -14.921 132.583 1.00853.96 O ATOM 1566 C1* A B 73 -896.749 -17.004 133.072 1.00853.96 C ATOM 1567 N9 A B 73 -896.875 -18.446 132.813 1.00853.96 N ATOM 1568 C8 A B 73 -897.314 -19.071 131.661 1.00853.96 C ATOM 1569 N7 A B 73 -897.119 -20.378 131.656 1.00853.96 N ATOM 1570 C5 A B 73 -896.588 -20.631 132.913 1.00853.96 C ATOM 1571 C6 A B 73 -896.144 -21.811 133.515 1.00853.96 C ATOM 1572 N6 A B 73 -896.127 -22.997 132.880 1.00853.96 N ATOM 1573 N1 A B 73 -895.678 -21.734 134.781 1.00853.96 N ATOM 1574 C2 A B 73 -895.628 -20.532 135.375 1.00853.96 C ATOM 1575 N3 A B 73 -895.984 -19.339 134.898 1.00853.96 N ATOM 1576 C4 A B 73 -896.465 -19.458 133.647 1.00853.96 C ATOM 1577 P G B 74 -900.253 -14.437 134.581 1.00853.96 P ATOM 1578 O1P G B 74 -900.937 -13.595 135.597 1.00853.96 O ATOM 1579 O2P G B 74 -900.945 -15.633 134.039 1.00853.96 O ATOM 1580 O5* G B 74 -899.820 -13.499 133.368 1.00853.96 O ATOM 1581 C5* G B 74 -899.784 -12.079 133.510 1.00853.96 C ATOM 1582 C4* G B 74 -898.815 -11.685 134.603 1.00853.96 C ATOM 1583 O4* G B 74 -897.514 -12.289 134.361 1.00853.96 O ATOM 1584 C3* G B 74 -898.501 -10.217 134.713 1.00853.96 C ATOM 1585 O3* G B 74 -899.522 -9.552 135.432 1.00853.96 O ATOM 1586 C2* G B 74 -897.172 -10.203 135.453 1.00853.96 C ATOM 1587 O2* G B 74 -897.327 -10.324 136.853 1.00853.96 O ATOM 1588 C1* G B 74 -896.488 -11.443 134.875 1.00853.96 C ATOM 1589 N9 G B 74 -895.607 -11.041 133.780 1.00853.96 N ATOM 1590 C8 G B 74 -895.871 -11.089 132.432 1.00853.96 C ATOM 1591 N7 G B 74 -894.927 -10.547 131.706 1.00853.96 N ATOM 1592 C5 G B 74 -893.971 -10.135 132.628 1.00853.96 C ATOM 1593 C6 G B 74 -892.718 -9.438 132.444 1.00853.96 C ATOM 1594 O6 G B 74 -892.199 -9.006 131.400 1.00853.96 O ATOM 1595 N1 G B 74 -892.064 -9.236 133.655 1.00853.96 N ATOM 1596 C2 G B 74 -892.540 -9.642 134.881 1.00853.96 C ATOM 1597 N2 G B 74 -891.745 -9.391 135.928 1.00853.96 N ATOM 1598 N3 G B 74 -893.700 -10.256 135.069 1.00853.96 N ATOM 1599 C4 G B 74 -894.359 -10.466 133.909 1.00853.96 C ATOM 1600 P C B 75 -900.399 -8.438 134.681 1.00853.96 P ATOM 1601 O1P C B 75 -901.801 -8.897 134.704 1.00853.96 O ATOM 1602 O2P C B 75 -899.751 -8.149 133.377 1.00853.96 O ATOM 1603 O5* C B 75 -900.241 -7.141 135.595 1.00853.96 O ATOM 1604 C5* C B 75 -900.576 -7.163 136.980 1.00853.96 C ATOM 1605 C4* C B 75 -899.811 -6.094 137.717 1.00853.96 C ATOM 1606 O4* C B 75 -898.389 -6.349 137.588 1.00853.96 O ATOM 1607 C3* C B 75 -900.000 -4.682 137.199 1.00853.96 C ATOM 1608 O3* C B 75 -901.150 -4.087 137.806 1.00853.96 O ATOM 1609 C2* C B 75 -898.704 -3.995 137.611 1.00853.96 C ATOM 1610 O2* C B 75 -898.747 -3.542 138.946 1.00853.96 O ATOM 1611 C1* C B 75 -897.685 -5.130 137.469 1.00853.96 C ATOM 1612 N1 C B 75 -897.020 -5.134 136.155 1.00853.96 N ATOM 1613 C2 C B 75 -896.264 -4.022 135.756 1.00853.96 C ATOM 1614 O2 C B 75 -896.165 -3.048 136.521 1.00853.96 O ATOM 1615 N3 C B 75 -895.660 -4.035 134.542 1.00853.96 N ATOM 1616 C4 C B 75 -895.791 -5.101 133.747 1.00853.96 C ATOM 1617 N4 C B 75 -895.184 -5.078 132.558 1.00853.96 N ATOM 1618 C5 C B 75 -896.552 -6.242 134.130 1.00853.96 C ATOM 1619 C6 C B 75 -897.140 -6.217 135.329 1.00853.96 C ATOM 1620 P C B 76 -901.932 -2.900 137.046 1.00853.96 P ATOM 1621 O1P C B 76 -903.382 -3.073 137.317 1.00853.96 O ATOM 1622 O2P C B 76 -901.449 -2.864 135.642 1.00853.96 O ATOM 1623 O5* C B 76 -901.444 -1.568 137.776 1.00853.96 O ATOM 1624 C5* C B 76 -900.183 -1.005 137.450 1.00853.96 C ATOM 1625 C4* C B 76 -900.187 0.496 137.602 1.00853.96 C ATOM 1626 O4* C B 76 -898.909 0.972 137.101 1.00853.96 O ATOM 1627 C3* C B 76 -901.215 1.197 136.772 1.00853.96 C ATOM 1628 O3* C B 76 -902.402 1.320 137.546 1.00853.96 O ATOM 1629 C2* C B 76 -900.560 2.542 136.488 1.00853.96 C ATOM 1630 O2* C B 76 -900.675 3.446 137.569 1.00853.96 O ATOM 1631 C1* C B 76 -899.096 2.130 136.317 1.00853.96 C ATOM 1632 N1 C B 76 -898.774 1.767 134.927 1.00853.96 N ATOM 1633 C2 C B 76 -898.323 2.756 134.051 1.00853.96 C ATOM 1634 O2 C B 76 -898.199 3.914 134.470 1.00853.96 O ATOM 1635 N3 C B 76 -898.036 2.418 132.771 1.00853.96 N ATOM 1636 C4 C B 76 -898.182 1.154 132.364 1.00853.96 C ATOM 1637 N4 C B 76 -897.890 0.860 131.096 1.00853.96 N ATOM 1638 C5 C B 76 -898.634 0.129 133.241 1.00853.96 C ATOM 1639 C6 C B 76 -898.915 0.475 134.497 1.00853.96 C ATOM 1640 P C B 77 -903.798 0.790 136.951 1.00853.96 P ATOM 1641 O1P C B 77 -904.761 0.695 138.077 1.00853.96 O ATOM 1642 O2P C B 77 -903.519 -0.410 136.122 1.00853.96 O ATOM 1643 O5* C B 77 -904.285 1.959 135.982 1.00853.96 O ATOM 1644 C5* C B 77 -904.141 3.329 136.351 1.00853.96 C ATOM 1645 C4* C B 77 -903.896 4.175 135.126 1.00853.96 C ATOM 1646 O4* C B 77 -902.617 3.800 134.544 1.00853.96 O ATOM 1647 C3* C B 77 -904.900 3.952 134.018 1.00853.96 C ATOM 1648 O3* C B 77 -906.025 4.799 134.203 1.00853.96 O ATOM 1649 C2* C B 77 -904.109 4.290 132.761 1.00853.96 C ATOM 1650 O2* C B 77 -904.063 5.679 132.496 1.00853.96 O ATOM 1651 C1* C B 77 -902.715 3.781 133.130 1.00853.96 C ATOM 1652 N1 C B 77 -902.515 2.396 132.688 1.00853.96 N ATOM 1653 C2 C B 77 -902.420 2.122 131.321 1.00853.96 C ATOM 1654 O2 C B 77 -902.483 3.058 130.515 1.00853.96 O ATOM 1655 N3 C B 77 -902.262 0.840 130.914 1.00853.96 N ATOM 1656 C4 C B 77 -902.199 -0.144 131.813 1.00853.96 C ATOM 1657 N4 C B 77 -902.054 -1.392 131.366 1.00853.96 N ATOM 1658 C5 C B 77 -902.281 0.109 133.211 1.00853.96 C ATOM 1659 C6 C B 77 -902.435 1.381 133.600 1.00853.96 C ATOM 1660 P C B 78 -907.506 4.180 134.110 1.00853.96 P ATOM 1661 O1P C B 78 -908.406 5.021 134.938 1.00853.96 O ATOM 1662 O2P C B 78 -907.411 2.721 134.376 1.00853.96 O ATOM 1663 O5* C B 78 -907.906 4.368 132.578 1.00853.96 O ATOM 1664 C5* C B 78 -908.025 5.662 132.003 1.00853.96 C ATOM 1665 C4* C B 78 -907.733 5.596 130.525 1.00853.96 C ATOM 1666 O4* C B 78 -906.395 5.063 130.327 1.00853.96 O ATOM 1667 C3* C B 78 -908.625 4.667 129.720 1.00853.96 C ATOM 1668 O3* C B 78 -909.847 5.285 129.343 1.00853.96 O ATOM 1669 C2* C B 78 -907.754 4.317 128.523 1.00853.96 C ATOM 1670 O2* C B 78 -907.778 5.304 127.517 1.00853.96 O ATOM 1671 C1* C B 78 -906.367 4.256 129.162 1.00853.96 C ATOM 1672 N1 C B 78 -906.007 2.888 129.570 1.00853.96 N ATOM 1673 C2 C B 78 -905.474 2.014 128.617 1.00853.96 C ATOM 1674 O2 C B 78 -905.321 2.412 127.452 1.00853.96 O ATOM 1675 N3 C B 78 -905.146 0.754 128.986 1.00853.96 N ATOM 1676 C4 C B 78 -905.331 0.361 130.252 1.00853.96 C ATOM 1677 N4 C B 78 -904.990 -0.887 130.577 1.00853.96 N ATOM 1678 C5 C B 78 -905.872 1.232 131.240 1.00853.96 C ATOM 1679 C6 C B 78 -906.192 2.474 130.857 1.00853.96 C ATOM 1680 P G B 79 -911.161 4.380 129.157 1.00853.96 P ATOM 1681 O1P G B 79 -912.182 5.206 128.466 1.00853.96 O ATOM 1682 O2P G B 79 -911.486 3.746 130.460 1.00853.96 O ATOM 1683 O5* G B 79 -910.684 3.239 128.152 1.00853.96 O ATOM 1684 C5* G B 79 -910.499 3.529 126.771 1.00853.96 C ATOM 1685 C4* G B 79 -910.099 2.287 126.019 1.00853.96 C ATOM 1686 O4* G B 79 -908.805 1.803 126.464 1.00853.96 O ATOM 1687 C3* G B 79 -911.012 1.072 126.142 1.00853.96 C ATOM 1688 O3* G B 79 -912.166 1.173 125.319 1.00853.96 O ATOM 1689 C2* G B 79 -910.089 -0.066 125.719 1.00853.96 C ATOM 1690 O2* G B 79 -910.002 -0.199 124.314 1.00853.96 O ATOM 1691 C1* G B 79 -908.740 0.402 126.272 1.00853.96 C ATOM 1692 N9 G B 79 -908.407 -0.243 127.537 1.00853.96 N ATOM 1693 C8 G B 79 -908.517 0.278 128.806 1.00853.96 C ATOM 1694 N7 G B 79 -908.148 -0.562 129.737 1.00853.96 N ATOM 1695 C5 G B 79 -907.769 -1.702 129.039 1.00853.96 C ATOM 1696 C6 G B 79 -907.277 -2.950 129.505 1.00853.96 C ATOM 1697 O6 G B 79 -907.074 -3.311 130.670 1.00853.96 O ATOM 1698 N1 G B 79 -907.020 -3.822 128.455 1.00853.96 N ATOM 1699 C2 G B 79 -907.211 -3.537 127.124 1.00853.96 C ATOM 1700 N2 G B 79 -906.917 -4.512 126.253 1.00853.96 N ATOM 1701 N3 G B 79 -907.664 -2.381 126.678 1.00853.96 N ATOM 1702 C4 G B 79 -907.921 -1.516 127.681 1.00853.96 C ATOM 1703 P A B 80 -913.428 0.225 125.614 1.00853.96 P ATOM 1704 O1P A B 80 -914.626 0.862 125.009 1.00853.96 O ATOM 1705 O2P A B 80 -913.429 -0.119 127.060 1.00853.96 O ATOM 1706 O5* A B 80 -913.099 -1.098 124.792 1.00853.96 O ATOM 1707 C5* A B 80 -912.826 -1.030 123.395 1.00853.96 C ATOM 1708 C4* A B 80 -912.129 -2.286 122.939 1.00853.96 C ATOM 1709 O4* A B 80 -910.921 -2.492 123.713 1.00853.96 O ATOM 1710 C3* A B 80 -912.901 -3.570 123.126 1.00853.96 C ATOM 1711 O3* A B 80 -913.832 -3.759 122.065 1.00853.96 O ATOM 1712 C2* A B 80 -911.805 -4.629 123.143 1.00853.96 C ATOM 1713 O2* A B 80 -911.399 -5.016 121.847 1.00853.96 O ATOM 1714 C1* A B 80 -910.662 -3.881 123.832 1.00853.96 C ATOM 1715 N9 A B 80 -910.553 -4.207 125.254 1.00853.96 N ATOM 1716 C8 A B 80 -910.683 -3.355 126.324 1.00853.96 C ATOM 1717 N7 A B 80 -910.536 -3.942 127.489 1.00853.96 N ATOM 1718 C5 A B 80 -910.293 -5.271 127.164 1.00853.96 C ATOM 1719 C6 A B 80 -910.049 -6.409 127.955 1.00853.96 C ATOM 1720 N6 A B 80 -910.012 -6.391 129.291 1.00853.96 N ATOM 1721 N1 A B 80 -909.843 -7.582 127.319 1.00853.96 N ATOM 1722 C2 A B 80 -909.876 -7.599 125.977 1.00853.96 C ATOM 1723 N3 A B 80 -910.100 -6.598 125.127 1.00853.96 N ATOM 1724 C4 A B 80 -910.303 -5.447 125.792 1.00853.96 C ATOM 1725 P C B 81 -915.401 -3.823 122.396 1.00853.96 P ATOM 1726 O1P C B 81 -916.137 -3.759 121.106 1.00853.96 O ATOM 1727 O2P C B 81 -915.700 -2.835 123.463 1.00853.96 O ATOM 1728 O5* C B 81 -915.593 -5.282 123.002 1.00853.96 O ATOM 1729 C5* C B 81 -915.253 -6.433 122.238 1.00853.96 C ATOM 1730 C4* C B 81 -914.542 -7.443 123.106 1.00853.96 C ATOM 1731 O4* C B 81 -913.511 -6.783 123.884 1.00853.96 O ATOM 1732 C3* C B 81 -915.429 -8.135 124.124 1.00853.96 C ATOM 1733 O3* C B 81 -916.073 -9.256 123.536 1.00853.96 O ATOM 1734 C2* C B 81 -914.440 -8.517 125.218 1.00853.96 C ATOM 1735 O2* C B 81 -913.747 -9.717 124.933 1.00853.96 O ATOM 1736 C1* C B 81 -913.462 -7.344 125.184 1.00853.96 C ATOM 1737 N1 C B 81 -913.813 -6.288 126.148 1.00853.96 N ATOM 1738 C2 C B 81 -913.563 -6.501 127.506 1.00853.96 C ATOM 1739 O2 C B 81 -913.053 -7.574 127.861 1.00853.96 O ATOM 1740 N3 C B 81 -913.885 -5.534 128.397 1.00853.96 N ATOM 1741 C4 C B 81 -914.432 -4.392 127.973 1.00853.96 C ATOM 1742 N4 C B 81 -914.730 -3.463 128.884 1.00853.96 N ATOM 1743 C5 C B 81 -914.696 -4.150 126.595 1.00853.96 C ATOM 1744 C6 C B 81 -914.375 -5.116 125.723 1.00853.96 C ATOM 1745 P G B 82 -917.458 -9.792 124.157 1.00853.96 P ATOM 1746 O1P G B 82 -918.088 -10.678 123.148 1.00853.96 O ATOM 1747 O2P G B 82 -918.212 -8.618 124.676 1.00853.96 O ATOM 1748 O5* G B 82 -917.002 -10.683 125.398 1.00853.96 O ATOM 1749 C5* G B 82 -916.101 -11.769 125.213 1.00853.96 C ATOM 1750 C4* G B 82 -915.414 -12.106 126.514 1.00853.96 C ATOM 1751 O4* G B 82 -914.744 -10.929 127.015 1.00853.96 O ATOM 1752 C3* G B 82 -916.324 -12.573 127.652 1.00853.96 C ATOM 1753 O3* G B 82 -916.548 -13.981 127.607 1.00853.96 O ATOM 1754 C2* G B 82 -915.541 -12.161 128.897 1.00853.96 C ATOM 1755 O2* G B 82 -914.554 -13.111 129.240 1.00853.96 O ATOM 1756 C1* G B 82 -914.842 -10.885 128.426 1.00853.96 C ATOM 1757 N9 G B 82 -915.499 -9.639 128.804 1.00853.96 N ATOM 1758 C8 G B 82 -916.310 -8.848 128.025 1.00853.96 C ATOM 1759 N7 G B 82 -916.733 -7.779 128.642 1.00853.96 N ATOM 1760 C5 G B 82 -916.164 -7.870 129.908 1.00853.96 C ATOM 1761 C6 G B 82 -916.257 -6.993 131.022 1.00853.96 C ATOM 1762 O6 G B 82 -916.873 -5.925 131.118 1.00853.96 O ATOM 1763 N1 G B 82 -915.529 -7.469 132.106 1.00853.96 N ATOM 1764 C2 G B 82 -914.804 -8.636 132.120 1.00853.96 C ATOM 1765 N2 G B 82 -914.164 -8.926 133.265 1.00853.96 N ATOM 1766 N3 G B 82 -914.708 -9.457 131.090 1.00853.96 N ATOM 1767 C4 G B 82 -915.408 -9.015 130.025 1.00853.96 C ATOM 1768 P A B 83 -917.820 -14.620 128.354 1.00853.96 P ATOM 1769 O1P A B 83 -917.803 -16.081 128.093 1.00853.96 O ATOM 1770 O2P A B 83 -919.022 -13.823 127.995 1.00853.96 O ATOM 1771 O5* A B 83 -917.524 -14.393 129.905 1.00853.96 O ATOM 1772 C5* A B 83 -916.436 -15.048 130.570 1.00853.96 C ATOM 1773 C4* A B 83 -916.490 -14.743 132.049 1.00853.96 C ATOM 1774 O4* A B 83 -916.226 -13.328 132.213 1.00853.96 O ATOM 1775 C3* A B 83 -917.809 -14.937 132.792 1.00853.96 C ATOM 1776 O3* A B 83 -917.958 -16.281 133.248 1.00853.96 O ATOM 1777 C2* A B 83 -917.685 -13.987 133.978 1.00853.96 C ATOM 1778 O2* A B 83 -917.003 -14.570 135.072 1.00853.96 O ATOM 1779 C1* A B 83 -916.831 -12.857 133.396 1.00853.96 C ATOM 1780 N9 A B 83 -917.570 -11.647 133.043 1.00853.96 N ATOM 1781 C8 A B 83 -918.507 -11.507 132.048 1.00853.96 C ATOM 1782 N7 A B 83 -918.980 -10.292 131.934 1.00853.96 N ATOM 1783 C5 A B 83 -918.312 -9.579 132.922 1.00853.96 C ATOM 1784 C6 A B 83 -918.364 -8.234 133.314 1.00853.96 C ATOM 1785 N6 A B 83 -919.144 -7.323 132.731 1.00853.96 N ATOM 1786 N1 A B 83 -917.574 -7.849 134.338 1.00853.96 N ATOM 1787 C2 A B 83 -916.788 -8.761 134.923 1.00853.96 C ATOM 1788 N3 A B 83 -916.650 -10.054 134.641 1.00853.96 N ATOM 1789 C4 A B 83 -917.448 -10.405 133.621 1.00853.96 C ATOM 1790 P G B 84 -918.699 -17.375 132.327 1.00853.96 P ATOM 1791 O1P G B 84 -919.856 -16.717 131.673 1.00853.96 O ATOM 1792 O2P G B 84 -918.920 -18.593 133.149 1.00853.96 O ATOM 1793 O5* G B 84 -917.617 -17.719 131.208 1.00853.96 O ATOM 1794 C5* G B 84 -916.594 -18.691 131.446 1.00853.96 C ATOM 1795 C4* G B 84 -915.347 -18.019 131.985 1.00853.96 C ATOM 1796 O4* G B 84 -915.680 -17.326 133.211 1.00853.96 O ATOM 1797 C3* G B 84 -914.183 -18.929 132.357 1.00853.96 C ATOM 1798 O3* G B 84 -913.357 -19.208 131.229 1.00853.96 O ATOM 1799 C2* G B 84 -913.438 -18.111 133.404 1.00853.96 C ATOM 1800 O2* G B 84 -912.565 -17.162 132.827 1.00853.96 O ATOM 1801 C1* G B 84 -914.586 -17.377 134.103 1.00853.96 C ATOM 1802 N9 G B 84 -915.021 -18.041 135.328 1.00853.96 N ATOM 1803 C8 G B 84 -915.780 -19.182 135.428 1.00853.96 C ATOM 1804 N7 G B 84 -916.015 -19.534 136.663 1.00853.96 N ATOM 1805 C5 G B 84 -915.374 -18.564 137.424 1.00853.96 C ATOM 1806 C6 G B 84 -915.280 -18.411 138.830 1.00853.96 C ATOM 1807 O6 G B 84 -915.760 -19.125 139.721 1.00853.96 O ATOM 1808 N1 G B 84 -914.532 -17.287 139.177 1.00853.96 N ATOM 1809 C2 G B 84 -913.952 -16.421 138.283 1.00853.96 C ATOM 1810 N2 G B 84 -913.273 -15.394 138.809 1.00853.96 N ATOM 1811 N3 G B 84 -914.034 -16.552 136.970 1.00853.96 N ATOM 1812 C4 G B 84 -914.756 -17.638 136.613 1.00853.96 C ATOM 1813 P C B 85 -912.571 -20.608 131.142 1.00853.96 P ATOM 1814 O1P C B 85 -911.867 -20.642 129.836 1.00853.96 O ATOM 1815 O2P C B 85 -913.514 -21.692 131.486 1.00853.96 O ATOM 1816 O5* C B 85 -911.476 -20.536 132.296 1.00853.96 O ATOM 1817 C5* C B 85 -910.473 -19.525 132.293 1.00853.96 C ATOM 1818 C4* C B 85 -909.412 -19.838 133.323 1.00853.96 C ATOM 1819 O4* C B 85 -910.045 -19.985 134.619 1.00853.96 O ATOM 1820 C3* C B 85 -908.610 -21.119 133.163 1.00853.96 C ATOM 1821 O3* C B 85 -907.523 -20.906 132.271 1.00853.96 O ATOM 1822 C2* C B 85 -908.125 -21.398 134.584 1.00853.96 C ATOM 1823 O2* C B 85 -906.946 -20.684 134.903 1.00853.96 O ATOM 1824 C1* C B 85 -909.283 -20.863 135.429 1.00853.96 C ATOM 1825 N1 C B 85 -910.169 -21.919 135.942 1.00853.96 N ATOM 1826 C2 C B 85 -911.339 -21.546 136.608 1.00853.96 C ATOM 1827 O2 C B 85 -911.592 -20.337 136.738 1.00853.96 O ATOM 1828 N3 C B 85 -912.163 -22.502 137.096 1.00853.96 N ATOM 1829 C4 C B 85 -911.854 -23.792 136.932 1.00853.96 C ATOM 1830 N4 C B 85 -912.692 -24.701 137.430 1.00853.96 N ATOM 1831 C5 C B 85 -910.668 -24.201 136.253 1.00853.96 C ATOM 1832 C6 C B 85 -909.862 -23.240 135.778 1.00853.96 C ATOM 1833 P U B 86 -906.803 -22.165 131.573 1.00853.96 P ATOM 1834 O1P U B 86 -907.607 -22.519 130.379 1.00853.96 O ATOM 1835 O2P U B 86 -906.538 -23.191 132.615 1.00853.96 O ATOM 1836 O5* U B 86 -905.406 -21.581 131.072 1.00853.96 O ATOM 1837 C5* U B 86 -905.304 -20.242 130.601 1.00853.96 C ATOM 1838 C4* U B 86 -904.303 -19.462 131.423 1.00853.96 C ATOM 1839 O4* U B 86 -904.740 -19.394 132.805 1.00853.96 O ATOM 1840 C3* U B 86 -902.915 -20.068 131.473 1.00853.96 C ATOM 1841 O3* U B 86 -902.149 -19.619 130.364 1.00853.96 O ATOM 1842 C2* U B 86 -902.356 -19.539 132.790 1.00853.96 C ATOM 1843 O2* U B 86 -901.790 -18.251 132.658 1.00853.96 O ATOM 1844 C1* U B 86 -903.611 -19.453 133.659 1.00853.96 C ATOM 1845 N1 U B 86 -903.768 -20.589 134.579 1.00853.96 N ATOM 1846 C2 U B 86 -903.538 -20.353 135.924 1.00853.96 C ATOM 1847 O2 U B 86 -903.209 -19.263 136.354 1.00853.96 O ATOM 1848 N3 U B 86 -903.707 -21.443 136.740 1.00853.96 N ATOM 1849 C4 U B 86 -904.072 -22.718 136.362 1.00853.96 C ATOM 1850 O4 U B 86 -904.193 -23.594 137.218 1.00853.96 O ATOM 1851 C5 U B 86 -904.289 -22.882 134.956 1.00853.96 C ATOM 1852 C6 U B 86 -904.135 -21.838 134.135 1.00853.96 C ATOM 1853 P G B 87 -901.293 -20.679 129.512 1.00853.96 P ATOM 1854 O1P G B 87 -900.511 -21.500 130.475 1.00853.96 O ATOM 1855 O2P G B 87 -900.588 -19.951 128.429 1.00853.96 O ATOM 1856 O5* G B 87 -902.399 -21.617 128.854 1.00853.96 O ATOM 1857 C5* G B 87 -902.163 -23.010 128.689 1.00853.96 C ATOM 1858 C4* G B 87 -901.300 -23.253 127.476 1.00853.96 C ATOM 1859 O4* G B 87 -900.014 -22.607 127.655 1.00853.96 O ATOM 1860 C3* G B 87 -900.952 -24.701 127.188 1.00853.96 C ATOM 1861 O3* G B 87 -902.006 -25.382 126.517 1.00853.96 O ATOM 1862 C2* G B 87 -899.671 -24.585 126.375 1.00853.96 C ATOM 1863 O2* G B 87 -899.915 -24.307 125.011 1.00853.96 O ATOM 1864 C1* G B 87 -898.999 -23.377 127.037 1.00853.96 C ATOM 1865 N9 G B 87 -898.058 -23.757 128.090 1.00853.96 N ATOM 1866 C8 G B 87 -898.379 -24.366 129.278 1.00853.96 C ATOM 1867 N7 G B 87 -897.336 -24.614 130.023 1.00853.96 N ATOM 1868 C5 G B 87 -896.264 -24.134 129.284 1.00853.96 C ATOM 1869 C6 G B 87 -894.875 -24.130 129.581 1.00853.96 C ATOM 1870 O6 G B 87 -894.300 -24.565 130.587 1.00853.96 O ATOM 1871 N1 G B 87 -894.137 -23.543 128.560 1.00853.96 N ATOM 1872 C2 G B 87 -894.663 -23.030 127.401 1.00853.96 C ATOM 1873 N2 G B 87 -893.781 -22.503 126.540 1.00853.96 N ATOM 1874 N3 G B 87 -895.956 -23.031 127.109 1.00853.96 N ATOM 1875 C4 G B 87 -896.693 -23.595 128.089 1.00853.96 C ATOM 1876 P G B 88 -902.112 -26.981 126.644 1.00853.96 P ATOM 1877 O1P G B 88 -902.792 -27.486 125.425 1.00853.96 O ATOM 1878 O2P G B 88 -902.667 -27.298 127.982 1.00853.96 O ATOM 1879 O5* G B 88 -900.595 -27.467 126.609 1.00853.96 O ATOM 1880 C5* G B 88 -900.249 -28.803 126.963 1.00853.96 C ATOM 1881 C4* G B 88 -899.308 -29.381 125.938 1.00853.96 C ATOM 1882 O4* G B 88 -898.087 -28.592 125.888 1.00853.96 O ATOM 1883 C3* G B 88 -898.797 -30.788 126.176 1.00853.96 C ATOM 1884 O3* G B 88 -899.751 -31.779 125.819 1.00853.96 O ATOM 1885 C2* G B 88 -897.531 -30.839 125.329 1.00853.96 C ATOM 1886 O2* G B 88 -897.800 -31.119 123.970 1.00853.96 O ATOM 1887 C1* G B 88 -897.005 -29.414 125.474 1.00853.96 C ATOM 1888 N9 G B 88 -895.961 -29.309 126.487 1.00853.96 N ATOM 1889 C8 G B 88 -896.143 -29.156 127.842 1.00853.96 C ATOM 1890 N7 G B 88 -895.024 -29.106 128.508 1.00853.96 N ATOM 1891 C5 G B 88 -894.041 -29.229 127.540 1.00853.96 C ATOM 1892 C6 G B 88 -892.625 -29.242 127.665 1.00853.96 C ATOM 1893 O6 G B 88 -891.937 -29.148 128.690 1.00853.96 O ATOM 1894 N1 G B 88 -892.002 -29.386 126.427 1.00853.96 N ATOM 1895 C2 G B 88 -892.656 -29.501 125.227 1.00853.96 C ATOM 1896 N2 G B 88 -891.871 -29.630 124.143 1.00853.96 N ATOM 1897 N3 G B 88 -893.976 -29.488 125.093 1.00853.96 N ATOM 1898 C4 G B 88 -894.598 -29.351 126.286 1.00853.96 C ATOM 1899 P A B 89 -899.483 -33.318 126.204 1.00853.96 P ATOM 1900 O1P A B 89 -898.348 -33.796 125.375 1.00853.96 O ATOM 1901 O2P A B 89 -900.783 -34.035 126.150 1.00853.96 O ATOM 1902 O5* A B 89 -899.011 -33.282 127.727 1.00853.96 O ATOM 1903 C5* A B 89 -898.181 -34.307 128.281 1.00853.96 C ATOM 1904 C4* A B 89 -898.503 -34.511 129.745 1.00853.96 C ATOM 1905 O4* A B 89 -897.658 -35.559 130.287 1.00853.96 O ATOM 1906 C3* A B 89 -898.245 -33.319 130.645 1.00853.96 C ATOM 1907 O3* A B 89 -899.349 -32.427 130.635 1.00853.96 O ATOM 1908 C2* A B 89 -898.048 -33.965 132.014 1.00853.96 C ATOM 1909 O2* A B 89 -899.275 -34.244 132.659 1.00853.96 O ATOM 1910 C1* A B 89 -897.360 -35.278 131.643 1.00853.96 C ATOM 1911 N9 A B 89 -895.908 -35.199 131.800 1.00853.96 N ATOM 1912 C8 A B 89 -894.934 -35.457 130.866 1.00853.96 C ATOM 1913 N7 A B 89 -893.713 -35.269 131.304 1.00853.96 N ATOM 1914 C5 A B 89 -893.894 -34.871 132.623 1.00853.96 C ATOM 1915 C6 A B 89 -892.986 -34.514 133.639 1.00853.96 C ATOM 1916 N6 A B 89 -891.660 -34.514 133.489 1.00853.96 N ATOM 1917 N1 A B 89 -893.493 -34.155 134.837 1.00853.96 N ATOM 1918 C2 A B 89 -894.824 -34.167 134.997 1.00853.96 C ATOM 1919 N3 A B 89 -895.779 -34.485 134.124 1.00853.96 N ATOM 1920 C4 A B 89 -895.239 -34.828 132.942 1.00853.96 C ATOM 1921 P G B 90 -899.193 -30.975 129.963 1.00853.96 P ATOM 1922 O1P G B 90 -898.079 -31.052 128.980 1.00853.96 O ATOM 1923 O2P G B 90 -899.152 -29.957 131.041 1.00853.96 O ATOM 1924 O5* G B 90 -900.553 -30.797 129.153 1.00853.96 O ATOM 1925 C5* G B 90 -901.799 -30.719 129.837 1.00853.96 C ATOM 1926 C4* G B 90 -902.894 -30.300 128.880 1.00853.96 C ATOM 1927 O4* G B 90 -903.084 -31.322 127.869 1.00853.96 O ATOM 1928 C3* G B 90 -904.266 -30.138 129.505 1.00853.96 C ATOM 1929 O3* G B 90 -904.422 -28.870 130.125 1.00853.96 O ATOM 1930 C2* G B 90 -905.207 -30.342 128.321 1.00853.96 C ATOM 1931 O2* G B 90 -905.379 -29.168 127.551 1.00853.96 O ATOM 1932 C1* G B 90 -904.452 -31.393 127.507 1.00853.96 C ATOM 1933 N9 G B 90 -904.921 -32.750 127.772 1.00853.96 N ATOM 1934 C8 G B 90 -904.213 -33.778 128.343 1.00853.96 C ATOM 1935 N7 G B 90 -904.900 -34.878 128.452 1.00853.96 N ATOM 1936 C5 G B 90 -906.140 -34.563 127.920 1.00853.96 C ATOM 1937 C6 G B 90 -907.306 -35.360 127.766 1.00853.96 C ATOM 1938 O6 G B 90 -907.478 -36.545 128.081 1.00853.96 O ATOM 1939 N1 G B 90 -908.343 -34.642 127.178 1.00853.96 N ATOM 1940 C2 G B 90 -908.269 -33.328 126.785 1.00853.96 C ATOM 1941 N2 G B 90 -909.378 -32.814 126.237 1.00853.96 N ATOM 1942 N3 G B 90 -907.188 -32.577 126.923 1.00853.96 N ATOM 1943 C4 G B 90 -906.170 -33.254 127.492 1.00853.96 C ATOM 1944 P A B 91 -905.275 -28.761 131.480 1.00853.96 P ATOM 1945 O1P A B 91 -906.621 -29.335 131.221 1.00853.96 O ATOM 1946 O2P A B 91 -905.158 -27.370 131.993 1.00853.96 O ATOM 1947 O5* A B 91 -904.503 -29.730 132.482 1.00853.96 O ATOM 1948 C5* A B 91 -904.830 -31.112 132.571 1.00853.96 C ATOM 1949 C4* A B 91 -904.007 -31.757 133.654 1.00853.96 C ATOM 1950 O4* A B 91 -902.607 -31.737 133.284 1.00853.96 O ATOM 1951 C3* A B 91 -904.005 -31.055 134.984 1.00853.96 C ATOM 1952 O3* A B 91 -905.203 -31.396 135.669 1.00853.96 O ATOM 1953 C2* A B 91 -902.730 -31.549 135.652 1.00853.96 C ATOM 1954 O2* A B 91 -902.899 -32.790 136.301 1.00853.96 O ATOM 1955 C1* A B 91 -901.800 -31.712 134.446 1.00853.96 C ATOM 1956 N9 A B 91 -900.860 -30.601 134.290 1.00853.96 N ATOM 1957 C8 A B 91 -901.188 -29.284 134.081 1.00853.96 C ATOM 1958 N7 A B 91 -900.154 -28.493 133.968 1.00853.96 N ATOM 1959 C5 A B 91 -899.067 -29.339 134.115 1.00853.96 C ATOM 1960 C6 A B 91 -897.682 -29.105 134.094 1.00853.96 C ATOM 1961 N6 A B 91 -897.140 -27.902 133.905 1.00853.96 N ATOM 1962 N1 A B 91 -896.864 -30.169 134.270 1.00853.96 N ATOM 1963 C2 A B 91 -897.413 -31.375 134.456 1.00853.96 C ATOM 1964 N3 A B 91 -898.704 -31.720 134.496 1.00853.96 N ATOM 1965 C4 A B 91 -899.486 -30.644 134.316 1.00853.96 C ATOM 1966 P U B 92 -906.403 -30.332 135.737 1.00853.96 P ATOM 1967 O1P U B 92 -907.027 -30.269 134.392 1.00853.96 O ATOM 1968 O2P U B 92 -905.890 -29.087 136.366 1.00853.96 O ATOM 1969 O5* U B 92 -907.433 -31.012 136.738 1.00853.96 O ATOM 1970 C5* U B 92 -908.150 -32.175 136.348 1.00853.96 C ATOM 1971 C4* U B 92 -908.166 -33.181 137.474 1.00853.96 C ATOM 1972 O4* U B 92 -906.870 -33.822 137.604 1.00853.96 O ATOM 1973 C3* U B 92 -908.440 -32.600 138.836 1.00853.96 C ATOM 1974 O3* U B 92 -909.840 -32.450 139.013 1.00853.96 O ATOM 1975 C2* U B 92 -907.828 -33.631 139.779 1.00853.96 C ATOM 1976 O2* U B 92 -908.704 -34.715 140.038 1.00853.96 O ATOM 1977 C1* U B 92 -906.632 -34.129 138.965 1.00853.96 C ATOM 1978 N1 U B 92 -905.369 -33.500 139.379 1.00853.96 N ATOM 1979 C2 U B 92 -904.737 -34.011 140.496 1.00853.96 C ATOM 1980 O2 U B 92 -905.176 -34.955 141.132 1.00853.96 O ATOM 1981 N3 U B 92 -903.570 -33.375 140.845 1.00853.96 N ATOM 1982 C4 U B 92 -902.986 -32.304 140.201 1.00853.96 C ATOM 1983 O4 U B 92 -901.937 -31.833 140.641 1.00853.96 O ATOM 1984 C5 U B 92 -903.697 -31.841 139.047 1.00853.96 C ATOM 1985 C6 U B 92 -904.836 -32.439 138.685 1.00853.96 C ATOM 1986 P A B 93 -910.447 -30.991 139.310 1.00853.96 P ATOM 1987 O1P A B 93 -911.906 -31.152 139.528 1.00853.96 O ATOM 1988 O2P A B 93 -909.960 -30.064 138.256 1.00853.96 O ATOM 1989 O5* A B 93 -909.777 -30.578 140.695 1.00853.96 O ATOM 1990 C5* A B 93 -909.815 -31.467 141.804 1.00853.96 C ATOM 1991 C4* A B 93 -908.711 -31.147 142.782 1.00853.96 C ATOM 1992 O4* A B 93 -907.421 -31.201 142.119 1.00853.96 O ATOM 1993 C3* A B 93 -908.745 -29.785 143.456 1.00853.96 C ATOM 1994 O3* A B 93 -909.614 -29.809 144.584 1.00853.96 O ATOM 1995 C2* A B 93 -907.288 -29.572 143.862 1.00853.96 C ATOM 1996 O2* A B 93 -906.979 -30.186 145.098 1.00853.96 O ATOM 1997 C1* A B 93 -906.532 -30.301 142.748 1.00853.96 C ATOM 1998 N9 A B 93 -905.940 -29.423 141.735 1.00853.96 N ATOM 1999 C8 A B 93 -906.246 -29.336 140.399 1.00853.96 C ATOM 2000 N7 A B 93 -905.522 -28.452 139.750 1.00853.96 N ATOM 2001 C5 A B 93 -904.686 -27.923 140.726 1.00853.96 C ATOM 2002 C6 A B 93 -903.681 -26.939 140.680 1.00853.96 C ATOM 2003 N6 A B 93 -903.332 -26.285 139.573 1.00853.96 N ATOM 2004 N1 A B 93 -903.039 -26.648 141.831 1.00853.96 N ATOM 2005 C2 A B 93 -903.387 -27.305 142.940 1.00853.96 C ATOM 2006 N3 A B 93 -904.315 -28.245 143.109 1.00853.96 N ATOM 2007 C4 A B 93 -904.936 -28.512 141.952 1.00853.96 C ATOM 2008 P C B 94 -910.385 -28.473 145.036 1.00853.96 P ATOM 2009 O1P C B 94 -911.069 -28.757 146.321 1.00853.96 O ATOM 2010 O2P C B 94 -911.170 -27.958 143.883 1.00853.96 O ATOM 2011 O5* C B 94 -909.218 -27.435 145.330 1.00853.96 O ATOM 2012 C5* C B 94 -908.307 -27.631 146.407 1.00853.96 C ATOM 2013 C4* C B 94 -907.184 -26.644 146.292 1.00853.96 C ATOM 2014 O4* C B 94 -906.498 -26.900 145.041 1.00853.96 O ATOM 2015 C3* C B 94 -907.596 -25.172 146.202 1.00853.96 C ATOM 2016 O3* C B 94 -907.709 -24.583 147.495 1.00853.96 O ATOM 2017 C2* C B 94 -906.466 -24.537 145.407 1.00853.96 C ATOM 2018 O2* C B 94 -905.408 -24.132 146.249 1.00853.96 O ATOM 2019 C1* C B 94 -906.024 -25.684 144.501 1.00853.96 C ATOM 2020 N1 C B 94 -906.418 -25.602 143.094 1.00853.96 N ATOM 2021 C2 C B 94 -905.691 -24.767 142.242 1.00853.96 C ATOM 2022 O2 C B 94 -904.733 -24.123 142.704 1.00853.96 O ATOM 2023 N3 C B 94 -906.045 -24.688 140.941 1.00853.96 N ATOM 2024 C4 C B 94 -907.077 -25.403 140.489 1.00853.96 C ATOM 2025 N4 C B 94 -907.393 -25.289 139.199 1.00853.96 N ATOM 2026 C5 C B 94 -907.828 -26.264 141.334 1.00853.96 C ATOM 2027 C6 C B 94 -907.469 -26.332 142.620 1.00853.96 C ATOM 2028 P G B 95 -909.032 -23.753 147.881 1.00853.96 P ATOM 2029 O1P G B 95 -909.114 -23.728 149.364 1.00853.96 O ATOM 2030 O2P G B 95 -910.161 -24.294 147.089 1.00853.96 O ATOM 2031 O5* G B 95 -908.720 -22.275 147.380 1.00853.96 O ATOM 2032 C5* G B 95 -909.759 -21.418 146.913 1.00853.96 C ATOM 2033 C4* G B 95 -909.209 -20.438 145.898 1.00853.96 C ATOM 2034 O4* G B 95 -908.278 -21.099 145.008 1.00853.96 O ATOM 2035 C3* G B 95 -910.271 -19.828 144.995 1.00853.96 C ATOM 2036 O3* G B 95 -910.852 -18.677 145.593 1.00853.96 O ATOM 2037 C2* G B 95 -909.494 -19.500 143.722 1.00853.96 C ATOM 2038 O2* G B 95 -908.817 -18.260 143.801 1.00853.96 O ATOM 2039 C1* G B 95 -908.470 -20.635 143.679 1.00853.96 C ATOM 2040 N9 G B 95 -908.889 -21.764 142.854 1.00853.96 N ATOM 2041 C8 G B 95 -909.134 -23.052 143.268 1.00853.96 C ATOM 2042 N7 G B 95 -909.494 -23.846 142.299 1.00853.96 N ATOM 2043 C5 G B 95 -909.488 -23.036 141.170 1.00853.96 C ATOM 2044 C6 G B 95 -909.797 -23.341 139.813 1.00853.96 C ATOM 2045 O6 G B 95 -910.149 -24.423 139.324 1.00853.96 O ATOM 2046 N1 G B 95 -909.661 -22.225 138.996 1.00853.96 N ATOM 2047 C2 G B 95 -909.279 -20.976 139.423 1.00853.96 C ATOM 2048 N2 G B 95 -909.206 -20.028 138.479 1.00853.96 N ATOM 2049 N3 G B 95 -908.992 -20.679 140.681 1.00853.96 N ATOM 2050 C4 G B 95 -909.116 -21.750 141.493 1.00853.96 C ATOM 2051 P C B 96 -912.448 -18.516 145.624 1.00853.96 P ATOM 2052 O1P C B 96 -912.860 -18.395 147.047 1.00853.96 O ATOM 2053 O2P C B 96 -913.041 -19.584 144.778 1.00853.96 O ATOM 2054 O5* C B 96 -912.695 -17.116 144.911 1.00853.96 O ATOM 2055 C5* C B 96 -911.808 -16.023 145.133 1.00853.96 C ATOM 2056 C4* C B 96 -911.375 -15.435 143.809 1.00853.96 C ATOM 2057 O4* C B 96 -910.704 -16.460 143.033 1.00853.96 O ATOM 2058 C3* C B 96 -912.498 -14.951 142.908 1.00853.96 C ATOM 2059 O3* C B 96 -912.871 -13.616 143.235 1.00853.96 O ATOM 2060 C2* C B 96 -911.888 -15.052 141.515 1.00853.96 C ATOM 2061 O2* C B 96 -911.099 -13.923 141.185 1.00853.96 O ATOM 2062 C1* C B 96 -910.981 -16.278 141.655 1.00853.96 C ATOM 2063 N1 C B 96 -911.578 -17.522 141.146 1.00853.96 N ATOM 2064 C2 C B 96 -911.391 -17.862 139.802 1.00853.96 C ATOM 2065 O2 C B 96 -910.742 -17.093 139.073 1.00853.96 O ATOM 2066 N3 C B 96 -911.921 -19.014 139.329 1.00853.96 N ATOM 2067 C4 C B 96 -912.616 -19.809 140.147 1.00853.96 C ATOM 2068 N4 C B 96 -913.117 -20.939 139.639 1.00853.96 N ATOM 2069 C5 C B 96 -912.831 -19.484 141.515 1.00853.96 C ATOM 2070 C6 C B 96 -912.303 -18.341 141.970 1.00853.96 C ATOM 2071 P U B 97 -914.424 -13.224 143.314 1.00853.96 P ATOM 2072 O1P U B 97 -914.508 -11.753 143.474 1.00853.96 O ATOM 2073 O2P U B 97 -915.081 -14.110 144.311 1.00853.96 O ATOM 2074 O5* U B 97 -914.982 -13.602 141.871 1.00853.96 O ATOM 2075 C5* U B 97 -916.362 -13.463 141.566 1.00853.96 C ATOM 2076 C4* U B 97 -916.547 -13.146 140.103 1.00853.96 C ATOM 2077 O4* U B 97 -916.325 -14.344 139.314 1.00853.96 O ATOM 2078 C3* U B 97 -917.955 -12.726 139.753 1.00853.96 C ATOM 2079 O3* U B 97 -918.102 -11.334 139.989 1.00853.96 O ATOM 2080 C2* U B 97 -918.069 -13.097 138.282 1.00853.96 C ATOM 2081 O2* U B 97 -917.509 -12.117 137.428 1.00853.96 O ATOM 2082 C1* U B 97 -917.228 -14.374 138.223 1.00853.96 C ATOM 2083 N1 U B 97 -918.060 -15.577 138.360 1.00853.96 N ATOM 2084 C2 U B 97 -918.981 -15.851 137.370 1.00853.96 C ATOM 2085 O2 U B 97 -919.121 -15.143 136.386 1.00853.96 O ATOM 2086 N3 U B 97 -919.735 -16.979 137.574 1.00853.96 N ATOM 2087 C4 U B 97 -919.658 -17.845 138.647 1.00853.96 C ATOM 2088 O4 U B 97 -920.417 -18.816 138.696 1.00853.96 O ATOM 2089 C5 U B 97 -918.679 -17.500 139.625 1.00853.96 C ATOM 2090 C6 U B 97 -917.928 -16.407 139.453 1.00853.96 C ATOM 2091 P U B 98 -918.960 -10.835 141.252 1.00853.96 P ATOM 2092 O1P U B 98 -918.596 -9.419 141.508 1.00853.96 O ATOM 2093 O2P U B 98 -918.807 -11.839 142.339 1.00853.96 O ATOM 2094 O5* U B 98 -920.464 -10.884 140.737 1.00853.96 O ATOM 2095 C5* U B 98 -920.970 -9.866 139.882 1.00853.96 C ATOM 2096 C4* U B 98 -920.425 -10.046 138.485 1.00853.96 C ATOM 2097 O4* U B 98 -920.693 -11.396 138.024 1.00853.96 O ATOM 2098 C3* U B 98 -921.010 -9.166 137.410 1.00853.96 C ATOM 2099 O3* U B 98 -920.317 -7.925 137.424 1.00853.96 O ATOM 2100 C2* U B 98 -920.745 -9.947 136.129 1.00853.96 C ATOM 2101 O2* U B 98 -919.451 -9.714 135.614 1.00853.96 O ATOM 2102 C1* U B 98 -920.845 -11.398 136.619 1.00853.96 C ATOM 2103 N1 U B 98 -922.131 -12.029 136.287 1.00853.96 N ATOM 2104 C2 U B 98 -922.223 -12.696 135.079 1.00853.96 C ATOM 2105 O2 U B 98 -921.290 -12.787 134.301 1.00853.96 O ATOM 2106 N3 U B 98 -923.450 -13.253 134.818 1.00853.96 N ATOM 2107 C4 U B 98 -924.569 -13.214 135.622 1.00853.96 C ATOM 2108 O4 U B 98 -925.610 -13.752 135.242 1.00853.96 O ATOM 2109 C5 U B 98 -924.391 -12.513 136.859 1.00853.96 C ATOM 2110 C6 U B 98 -923.206 -11.960 137.140 1.00853.96 C ATOM 2111 P U B 99 -920.864 -6.695 136.548 1.00853.96 P ATOM 2112 O1P U B 99 -922.040 -6.132 137.263 1.00853.96 O ATOM 2113 O2P U B 99 -921.012 -7.148 135.141 1.00853.96 O ATOM 2114 O5* U B 99 -919.689 -5.625 136.613 1.00853.96 O ATOM 2115 C5* U B 99 -918.962 -5.411 137.823 1.00853.96 C ATOM 2116 C4* U B 99 -918.295 -4.057 137.798 1.00853.96 C ATOM 2117 O4* U B 99 -919.314 -3.025 137.845 1.00853.96 O ATOM 2118 C3* U B 99 -917.371 -3.726 138.953 1.00853.96 C ATOM 2119 O3* U B 99 -916.068 -4.246 138.739 1.00853.96 O ATOM 2120 C2* U B 99 -917.383 -2.202 138.969 1.00853.96 C ATOM 2121 O2* U B 99 -916.490 -1.643 138.025 1.00853.96 O ATOM 2122 C1* U B 99 -918.827 -1.901 138.555 1.00853.96 C ATOM 2123 N1 U B 99 -919.695 -1.685 139.719 1.00853.96 N ATOM 2124 C2 U B 99 -919.574 -0.491 140.402 1.00853.96 C ATOM 2125 O2 U B 99 -918.798 0.389 140.068 1.00853.96 O ATOM 2126 N3 U B 99 -920.402 -0.362 141.491 1.00853.96 N ATOM 2127 C4 U B 99 -921.316 -1.284 141.954 1.00853.96 C ATOM 2128 O4 U B 99 -921.977 -1.029 142.964 1.00853.96 O ATOM 2129 C5 U B 99 -921.388 -2.491 141.185 1.00853.96 C ATOM 2130 C6 U B 99 -920.595 -2.645 140.120 1.00853.96 C ATOM 2131 P G B 100 -914.937 -4.040 139.859 1.00853.96 P ATOM 2132 O1P G B 100 -915.633 -3.839 141.157 1.00853.96 O ATOM 2133 O2P G B 100 -913.969 -3.022 139.379 1.00853.96 O ATOM 2134 O5* G B 100 -914.197 -5.449 139.917 1.00853.96 O ATOM 2135 C5* G B 100 -912.863 -5.597 139.442 1.00853.96 C ATOM 2136 C4* G B 100 -912.862 -6.299 138.108 1.00853.96 C ATOM 2137 O4* G B 100 -913.697 -5.568 137.171 1.00853.96 O ATOM 2138 C3* G B 100 -911.528 -6.437 137.411 1.00853.96 C ATOM 2139 O3* G B 100 -910.860 -7.588 137.915 1.00853.96 O ATOM 2140 C2* G B 100 -911.921 -6.576 135.944 1.00853.96 C ATOM 2141 O2* G B 100 -912.275 -7.901 135.607 1.00853.96 O ATOM 2142 C1* G B 100 -913.163 -5.687 135.863 1.00853.96 C ATOM 2143 N9 G B 100 -912.872 -4.347 135.363 1.00853.96 N ATOM 2144 C8 G B 100 -911.679 -3.670 135.444 1.00853.96 C ATOM 2145 N7 G B 100 -911.723 -2.487 134.899 1.00853.96 N ATOM 2146 C5 G B 100 -913.022 -2.373 134.425 1.00853.96 C ATOM 2147 C6 G B 100 -913.661 -1.308 133.738 1.00853.96 C ATOM 2148 O6 G B 100 -913.189 -0.215 133.399 1.00853.96 O ATOM 2149 N1 G B 100 -914.985 -1.611 133.448 1.00853.96 N ATOM 2150 C2 G B 100 -915.615 -2.786 133.771 1.00853.96 C ATOM 2151 N2 G B 100 -916.902 -2.890 133.399 1.00853.96 N ATOM 2152 N3 G B 100 -915.034 -3.786 134.413 1.00853.96 N ATOM 2153 C4 G B 100 -913.745 -3.512 134.706 1.00853.96 C ATOM 2154 P A B 101 -909.305 -7.815 137.579 1.00853.96 P ATOM 2155 O1P A B 101 -908.515 -7.224 138.689 1.00853.96 O ATOM 2156 O2P A B 101 -909.068 -7.360 136.187 1.00853.96 O ATOM 2157 O5* A B 101 -909.120 -9.398 137.622 1.00853.96 O ATOM 2158 C5* A B 101 -908.775 -10.069 138.833 1.00853.96 C ATOM 2159 C4* A B 101 -909.227 -11.508 138.766 1.00853.96 C ATOM 2160 O4* A B 101 -910.674 -11.531 138.660 1.00853.96 O ATOM 2161 C3* A B 101 -908.754 -12.349 137.599 1.00853.96 C ATOM 2162 O3* A B 101 -907.453 -12.874 137.841 1.00853.96 O ATOM 2163 C2* A B 101 -909.822 -13.432 137.507 1.00853.96 C ATOM 2164 O2* A B 101 -909.603 -14.489 138.420 1.00853.96 O ATOM 2165 C1* A B 101 -911.080 -12.661 137.909 1.00853.96 C ATOM 2166 N9 A B 101 -911.835 -12.162 136.761 1.00853.96 N ATOM 2167 C8 A B 101 -912.214 -10.864 136.523 1.00853.96 C ATOM 2168 N7 A B 101 -912.870 -10.702 135.399 1.00853.96 N ATOM 2169 C5 A B 101 -912.926 -11.980 134.860 1.00853.96 C ATOM 2170 C6 A B 101 -913.487 -12.481 133.676 1.00853.96 C ATOM 2171 N6 A B 101 -914.121 -11.721 132.778 1.00853.96 N ATOM 2172 N1 A B 101 -913.372 -13.804 133.434 1.00853.96 N ATOM 2173 C2 A B 101 -912.731 -14.562 134.332 1.00853.96 C ATOM 2174 N3 A B 101 -912.163 -14.210 135.482 1.00853.96 N ATOM 2175 C4 A B 101 -912.296 -12.888 135.691 1.00853.96 C ATOM 2176 P C B 102 -906.476 -13.199 136.601 1.00853.96 P ATOM 2177 O1P C B 102 -905.574 -14.295 137.026 1.00853.96 O ATOM 2178 O2P C B 102 -905.903 -11.919 136.118 1.00853.96 O ATOM 2179 O5* C B 102 -907.448 -13.768 135.469 1.00853.96 O ATOM 2180 C5* C B 102 -907.598 -15.170 135.266 1.00853.96 C ATOM 2181 C4* C B 102 -908.110 -15.440 133.870 1.00853.96 C ATOM 2182 O4* C B 102 -909.459 -14.929 133.763 1.00853.96 O ATOM 2183 C3* C B 102 -907.362 -14.753 132.741 1.00853.96 C ATOM 2184 O3* C B 102 -906.228 -15.498 132.313 1.00853.96 O ATOM 2185 C2* C B 102 -908.414 -14.663 131.644 1.00853.96 C ATOM 2186 O2* C B 102 -908.524 -15.858 130.897 1.00853.96 O ATOM 2187 C1* C B 102 -909.692 -14.442 132.453 1.00853.96 C ATOM 2188 N1 C B 102 -910.047 -13.018 132.554 1.00853.96 N ATOM 2189 C2 C B 102 -910.872 -12.457 131.574 1.00853.96 C ATOM 2190 O2 C B 102 -911.290 -13.177 130.655 1.00853.96 O ATOM 2191 N3 C B 102 -911.189 -11.145 131.653 1.00853.96 N ATOM 2192 C4 C B 102 -910.721 -10.402 132.659 1.00853.96 C ATOM 2193 N4 C B 102 -911.052 -9.112 132.692 1.00853.96 N ATOM 2194 C5 C B 102 -909.885 -10.952 133.672 1.00853.96 C ATOM 2195 C6 C B 102 -909.579 -12.252 133.582 1.00853.96 C ATOM 2196 P U B 103 -904.870 -14.732 131.921 1.00853.96 P ATOM 2197 O1P U B 103 -903.777 -15.737 131.930 1.00853.96 O ATOM 2198 O2P U B 103 -904.753 -13.516 132.768 1.00853.96 O ATOM 2199 O5* U B 103 -905.099 -14.271 130.411 1.00853.96 O ATOM 2200 C5* U B 103 -904.844 -15.161 129.331 1.00853.96 C ATOM 2201 C4* U B 103 -905.157 -14.494 128.010 1.00853.96 C ATOM 2202 O4* U B 103 -906.567 -14.151 127.962 1.00853.96 O ATOM 2203 C3* U B 103 -904.429 -13.182 127.722 1.00853.96 C ATOM 2204 O3* U B 103 -903.128 -13.375 127.180 1.00853.96 O ATOM 2205 C2* U B 103 -905.366 -12.502 126.730 1.00853.96 C ATOM 2206 O2* U B 103 -905.178 -12.956 125.405 1.00853.96 O ATOM 2207 C1* U B 103 -906.742 -12.947 127.234 1.00853.96 C ATOM 2208 N1 U B 103 -907.378 -11.955 128.111 1.00853.96 N ATOM 2209 C2 U B 103 -908.208 -11.020 127.521 1.00853.96 C ATOM 2210 O2 U B 103 -908.427 -10.993 126.320 1.00853.96 O ATOM 2211 N3 U B 103 -908.775 -10.116 128.389 1.00853.96 N ATOM 2212 C4 U B 103 -908.597 -10.051 129.754 1.00853.96 C ATOM 2213 O4 U B 103 -909.184 -9.181 130.398 1.00853.96 O ATOM 2214 C5 U B 103 -907.725 -11.053 130.289 1.00853.96 C ATOM 2215 C6 U B 103 -907.161 -11.948 129.469 1.00853.96 C ATOM 2216 P C B 104 -901.945 -12.357 127.566 1.00853.96 P ATOM 2217 O1P C B 104 -900.681 -12.920 127.024 1.00853.96 O ATOM 2218 O2P C B 104 -902.048 -12.052 129.015 1.00853.96 O ATOM 2219 O5* C B 104 -902.283 -11.030 126.752 1.00853.96 O ATOM 2220 C5* C B 104 -902.576 -11.081 125.358 1.00853.96 C ATOM 2221 C4* C B 104 -903.459 -9.921 124.962 1.00853.96 C ATOM 2222 O4* C B 104 -904.366 -9.634 126.060 1.00853.96 O ATOM 2223 C3* C B 104 -902.803 -8.564 124.792 1.00853.96 C ATOM 2224 O3* C B 104 -902.223 -8.478 123.493 1.00853.96 O ATOM 2225 C2* C B 104 -903.945 -7.569 124.966 1.00853.96 C ATOM 2226 O2* C B 104 -904.637 -7.318 123.759 1.00853.96 O ATOM 2227 C1* C B 104 -904.855 -8.308 125.945 1.00853.96 C ATOM 2228 N1 C B 104 -904.820 -7.689 127.278 1.00853.96 N ATOM 2229 C2 C B 104 -905.987 -7.109 127.783 1.00853.96 C ATOM 2230 O2 C B 104 -907.016 -7.139 127.094 1.00853.96 O ATOM 2231 N3 C B 104 -905.961 -6.528 129.004 1.00853.96 N ATOM 2232 C4 C B 104 -904.832 -6.518 129.715 1.00853.96 C ATOM 2233 N4 C B 104 -904.852 -5.931 130.913 1.00853.96 N ATOM 2234 C5 C B 104 -903.631 -7.104 129.226 1.00853.96 C ATOM 2235 C6 C B 104 -903.669 -7.673 128.016 1.00853.96 C ATOM 2236 P G B 105 -900.933 -7.533 123.258 1.00853.96 P ATOM 2237 O1P G B 105 -900.118 -8.156 122.183 1.00853.96 O ATOM 2238 O2P G B 105 -900.317 -7.262 124.580 1.00853.96 O ATOM 2239 O5* G B 105 -901.528 -6.162 122.699 1.00853.96 O ATOM 2240 C5* G B 105 -901.904 -6.039 121.329 1.00853.96 C ATOM 2241 C4* G B 105 -902.479 -4.674 121.042 1.00853.96 C ATOM 2242 O4* G B 105 -903.668 -4.502 121.854 1.00853.96 O ATOM 2243 C3* G B 105 -901.594 -3.498 121.403 1.00853.96 C ATOM 2244 O3* G B 105 -900.721 -3.190 120.320 1.00853.96 O ATOM 2245 C2* G B 105 -902.596 -2.385 121.684 1.00853.96 C ATOM 2246 O2* G B 105 -903.037 -1.739 120.504 1.00853.96 O ATOM 2247 C1* G B 105 -903.755 -3.163 122.309 1.00853.96 C ATOM 2248 N9 G B 105 -903.689 -3.202 123.765 1.00853.96 N ATOM 2249 C8 G B 105 -903.127 -4.198 124.527 1.00853.96 C ATOM 2250 N7 G B 105 -903.209 -3.972 125.810 1.00853.96 N ATOM 2251 C5 G B 105 -903.864 -2.751 125.902 1.00853.96 C ATOM 2252 C6 G B 105 -904.234 -1.997 127.041 1.00853.96 C ATOM 2253 O6 G B 105 -904.052 -2.264 128.232 1.00853.96 O ATOM 2254 N1 G B 105 -904.880 -0.817 126.686 1.00853.96 N ATOM 2255 C2 G B 105 -905.136 -0.416 125.400 1.00853.96 C ATOM 2256 N2 G B 105 -905.772 0.761 125.265 1.00853.96 N ATOM 2257 N3 G B 105 -904.794 -1.111 124.324 1.00853.96 N ATOM 2258 C4 G B 105 -904.167 -2.260 124.648 1.00853.96 C ATOM 2259 P G B 106 -899.129 -3.269 120.534 1.00853.96 P ATOM 2260 O1P G B 106 -898.525 -3.503 119.196 1.00853.96 O ATOM 2261 O2P G B 106 -898.848 -4.218 121.639 1.00853.96 O ATOM 2262 O5* G B 106 -898.725 -1.805 121.006 1.00853.96 O ATOM 2263 C5* G B 106 -899.359 -0.662 120.439 1.00853.96 C ATOM 2264 C4* G B 106 -899.455 0.461 121.449 1.00853.96 C ATOM 2265 O4* G B 106 -899.980 -0.025 122.711 1.00853.96 O ATOM 2266 C3* G B 106 -898.139 1.088 121.881 1.00853.96 C ATOM 2267 O3* G B 106 -897.763 2.080 120.937 1.00853.96 O ATOM 2268 C2* G B 106 -898.418 1.701 123.252 1.00853.96 C ATOM 2269 O2* G B 106 -898.808 3.056 123.171 1.00853.96 O ATOM 2270 C1* G B 106 -899.602 0.867 123.748 1.00853.96 C ATOM 2271 N9 G B 106 -899.304 0.111 124.958 1.00853.96 N ATOM 2272 C8 G B 106 -898.308 -0.813 125.159 1.00853.96 C ATOM 2273 N7 G B 106 -898.295 -1.300 126.370 1.00853.96 N ATOM 2274 C5 G B 106 -899.350 -0.663 127.007 1.00853.96 C ATOM 2275 C6 G B 106 -899.835 -0.781 128.338 1.00853.96 C ATOM 2276 O6 G B 106 -899.408 -1.495 129.251 1.00853.96 O ATOM 2277 N1 G B 106 -900.932 0.047 128.560 1.00853.96 N ATOM 2278 C2 G B 106 -901.490 0.880 127.625 1.00853.96 C ATOM 2279 N2 G B 106 -902.546 1.604 128.033 1.00853.96 N ATOM 2280 N3 G B 106 -901.051 1.001 126.386 1.00853.96 N ATOM 2281 C4 G B 106 -899.988 0.206 126.148 1.00853.96 C ATOM 2282 P G B 107 -896.247 2.622 120.912 1.00853.96 P ATOM 2283 O1P G B 107 -896.135 3.593 119.796 1.00853.96 O ATOM 2284 O2P G B 107 -895.335 1.451 120.963 1.00853.96 O ATOM 2285 O5* G B 107 -896.111 3.421 122.285 1.00853.96 O ATOM 2286 C5* G B 107 -895.247 2.961 123.315 1.00853.96 C ATOM 2287 C4* G B 107 -894.950 4.078 124.289 1.00853.96 C ATOM 2288 O4* G B 107 -896.195 4.675 124.735 1.00853.96 O ATOM 2289 C3* G B 107 -894.254 3.631 125.555 1.00853.96 C ATOM 2290 O3* G B 107 -892.847 3.595 125.345 1.00853.96 O ATOM 2291 C2* G B 107 -894.681 4.680 126.574 1.00853.96 C ATOM 2292 O2* G B 107 -893.895 5.852 126.514 1.00853.96 O ATOM 2293 C1* G B 107 -896.108 4.990 126.114 1.00853.96 C ATOM 2294 N9 G B 107 -897.114 4.189 126.799 1.00853.96 N ATOM 2295 C8 G B 107 -897.878 3.195 126.243 1.00853.96 C ATOM 2296 N7 G B 107 -898.696 2.637 127.092 1.00853.96 N ATOM 2297 C5 G B 107 -898.459 3.303 128.284 1.00853.96 C ATOM 2298 C6 G B 107 -899.047 3.131 129.557 1.00853.96 C ATOM 2299 O6 G B 107 -899.919 2.323 129.896 1.00853.96 O ATOM 2300 N1 G B 107 -898.515 4.016 130.489 1.00853.96 N ATOM 2301 C2 G B 107 -897.541 4.948 130.231 1.00853.96 C ATOM 2302 N2 G B 107 -897.163 5.710 131.265 1.00853.96 N ATOM 2303 N3 G B 107 -896.983 5.119 129.042 1.00853.96 N ATOM 2304 C4 G B 107 -897.487 4.267 128.123 1.00853.96 C ATOM 2305 P G B 108 -891.945 2.578 126.201 1.00853.96 P ATOM 2306 O1P G B 108 -890.723 2.294 125.414 1.00853.96 O ATOM 2307 O2P G B 108 -892.809 1.458 126.649 1.00853.96 O ATOM 2308 O5* G B 108 -891.528 3.431 127.481 1.00853.96 O ATOM 2309 C5* G B 108 -890.788 2.842 128.542 1.00853.96 C ATOM 2310 C4* G B 108 -891.377 3.235 129.875 1.00853.96 C ATOM 2311 O4* G B 108 -892.818 3.082 129.837 1.00853.96 O ATOM 2312 C3* G B 108 -890.920 2.400 131.046 1.00853.96 C ATOM 2313 O3* G B 108 -889.702 2.939 131.546 1.00853.96 O ATOM 2314 C2* G B 108 -892.077 2.509 132.030 1.00853.96 C ATOM 2315 O2* G B 108 -892.004 3.678 132.821 1.00853.96 O ATOM 2316 C1* G B 108 -893.281 2.605 131.089 1.00853.96 C ATOM 2317 N9 G B 108 -893.940 1.327 130.852 1.00853.96 N ATOM 2318 C8 G B 108 -894.089 0.701 129.638 1.00853.96 C ATOM 2319 N7 G B 108 -894.726 -0.434 129.716 1.00853.96 N ATOM 2320 C5 G B 108 -895.022 -0.570 131.065 1.00853.96 C ATOM 2321 C6 G B 108 -895.704 -1.602 131.752 1.00853.96 C ATOM 2322 O6 G B 108 -896.202 -2.632 131.287 1.00853.96 O ATOM 2323 N1 G B 108 -895.783 -1.347 133.113 1.00853.96 N ATOM 2324 C2 G B 108 -895.269 -0.241 133.742 1.00853.96 C ATOM 2325 N2 G B 108 -895.450 -0.191 135.075 1.00853.96 N ATOM 2326 N3 G B 108 -894.628 0.737 133.113 1.00853.96 N ATOM 2327 C4 G B 108 -894.542 0.508 131.782 1.00853.96 C ATOM 2328 P A B 109 -888.430 1.977 131.761 1.00853.96 P ATOM 2329 O1P A B 109 -887.291 2.834 132.169 1.00853.96 O ATOM 2330 O2P A B 109 -888.302 1.104 130.565 1.00853.96 O ATOM 2331 O5* A B 109 -888.846 1.069 133.001 1.00853.96 O ATOM 2332 C5* A B 109 -889.408 1.650 134.172 1.00853.96 C ATOM 2333 C4* A B 109 -889.896 0.570 135.107 1.00853.96 C ATOM 2334 O4* A B 109 -890.775 -0.340 134.387 1.00853.96 O ATOM 2335 C3* A B 109 -888.855 -0.358 135.689 1.00853.96 C ATOM 2336 O3* A B 109 -888.214 0.268 136.800 1.00853.96 O ATOM 2337 C2* A B 109 -889.668 -1.586 136.084 1.00853.96 C ATOM 2338 O2* A B 109 -890.292 -1.427 137.346 1.00853.96 O ATOM 2339 C1* A B 109 -890.724 -1.631 134.977 1.00853.96 C ATOM 2340 N9 A B 109 -890.434 -2.616 133.927 1.00853.96 N ATOM 2341 C8 A B 109 -889.713 -2.402 132.776 1.00853.96 C ATOM 2342 N7 A B 109 -889.623 -3.458 131.999 1.00853.96 N ATOM 2343 C5 A B 109 -890.328 -4.444 132.681 1.00853.96 C ATOM 2344 C6 A B 109 -890.619 -5.810 132.374 1.00853.96 C ATOM 2345 N6 A B 109 -890.225 -6.445 131.258 1.00853.96 N ATOM 2346 N1 A B 109 -891.348 -6.514 133.268 1.00853.96 N ATOM 2347 C2 A B 109 -891.759 -5.882 134.387 1.00853.96 C ATOM 2348 N3 A B 109 -891.556 -4.616 134.781 1.00853.96 N ATOM 2349 C4 A B 109 -890.829 -3.937 133.877 1.00853.96 C ATOM 2350 P U B 110 -886.898 -0.407 137.445 1.00853.96 P ATOM 2351 O1P U B 110 -886.519 0.384 138.642 1.00853.96 O ATOM 2352 O2P U B 110 -885.910 -0.614 136.358 1.00853.96 O ATOM 2353 O5* U B 110 -887.389 -1.842 137.937 1.00853.96 O ATOM 2354 C5* U B 110 -886.460 -2.907 138.096 1.00853.96 C ATOM 2355 C4* U B 110 -887.039 -3.992 138.964 1.00853.96 C ATOM 2356 O4* U B 110 -888.248 -4.489 138.340 1.00853.96 O ATOM 2357 C3* U B 110 -886.147 -5.223 139.131 1.00853.96 C ATOM 2358 O3* U B 110 -885.170 -5.120 140.166 1.00853.96 O ATOM 2359 C2* U B 110 -887.160 -6.337 139.391 1.00853.96 C ATOM 2360 O2* U B 110 -887.536 -6.434 140.748 1.00853.96 O ATOM 2361 C1* U B 110 -888.365 -5.877 138.561 1.00853.96 C ATOM 2362 N1 U B 110 -888.516 -6.516 137.245 1.00853.96 N ATOM 2363 C2 U B 110 -889.113 -7.761 137.194 1.00853.96 C ATOM 2364 O2 U B 110 -889.479 -8.362 138.189 1.00853.96 O ATOM 2365 N3 U B 110 -889.267 -8.277 135.931 1.00853.96 N ATOM 2366 C4 U B 110 -888.884 -7.688 134.741 1.00853.96 C ATOM 2367 O4 U B 110 -889.118 -8.265 133.678 1.00853.96 O ATOM 2368 C5 U B 110 -888.253 -6.413 134.881 1.00853.96 C ATOM 2369 C6 U B 110 -888.093 -5.884 136.098 1.00853.96 C ATOM 2370 P G B 111 -883.656 -5.572 139.875 1.00853.96 P ATOM 2371 O1P G B 111 -883.394 -6.796 140.673 1.00853.96 O ATOM 2372 O2P G B 111 -882.767 -4.391 140.029 1.00853.96 O ATOM 2373 O5* G B 111 -883.703 -5.982 138.339 1.00853.96 O ATOM 2374 C5* G B 111 -882.520 -6.240 137.597 1.00853.96 C ATOM 2375 C4* G B 111 -882.843 -7.194 136.471 1.00853.96 C ATOM 2376 O4* G B 111 -884.135 -6.847 135.923 1.00853.96 O ATOM 2377 C3* G B 111 -881.905 -7.215 135.280 1.00853.96 C ATOM 2378 O3* G B 111 -880.801 -8.080 135.539 1.00853.96 O ATOM 2379 C2* G B 111 -882.798 -7.732 134.153 1.00853.96 C ATOM 2380 O2* G B 111 -882.857 -9.144 134.115 1.00853.96 O ATOM 2381 C1* G B 111 -884.176 -7.190 134.555 1.00853.96 C ATOM 2382 N9 G B 111 -884.634 -6.008 133.836 1.00853.96 N ATOM 2383 C8 G B 111 -884.269 -4.703 134.066 1.00853.96 C ATOM 2384 N7 G B 111 -884.891 -3.851 133.299 1.00853.96 N ATOM 2385 C5 G B 111 -885.711 -4.642 132.504 1.00853.96 C ATOM 2386 C6 G B 111 -886.627 -4.278 131.485 1.00853.96 C ATOM 2387 O6 G B 111 -886.916 -3.149 131.073 1.00853.96 O ATOM 2388 N1 G B 111 -887.244 -5.397 130.934 1.00853.96 N ATOM 2389 C2 G B 111 -887.013 -6.694 131.310 1.00853.96 C ATOM 2390 N2 G B 111 -887.703 -7.635 130.651 1.00853.96 N ATOM 2391 N3 G B 111 -886.167 -7.045 132.264 1.00853.96 N ATOM 2392 C4 G B 111 -885.552 -5.974 132.813 1.00853.96 C ATOM 2393 P U B 112 -879.780 -8.234 135.188 1.00855.43 P ATOM 2394 O1P U B 112 -879.516 -6.865 135.696 1.00855.43 O ATOM 2395 O2P U B 112 -879.643 -8.518 133.736 1.00855.43 O ATOM 2396 O5* U B 112 -878.844 -9.247 135.985 1.00855.43 O ATOM 2397 C5* U B 112 -878.825 -9.265 137.413 1.00855.43 C ATOM 2398 C4* U B 112 -878.726 -10.687 137.917 1.00855.43 C ATOM 2399 O4* U B 112 -879.927 -11.419 137.561 1.00855.43 O ATOM 2400 C3* U B 112 -877.584 -11.498 137.315 1.00855.43 C ATOM 2401 O3* U B 112 -876.360 -11.288 138.002 1.00855.43 O ATOM 2402 C2* U B 112 -878.089 -12.928 137.444 1.00855.43 C ATOM 2403 O2* U B 112 -877.869 -13.472 138.729 1.00855.43 O ATOM 2404 C1* U B 112 -879.593 -12.749 137.208 1.00855.43 C ATOM 2405 N1 U B 112 -879.975 -12.938 135.800 1.00855.43 N ATOM 2406 C2 U B 112 -879.892 -14.209 135.257 1.00855.43 C ATOM 2407 O2 U B 112 -879.531 -15.186 135.893 1.00855.43 O ATOM 2408 N3 U B 112 -880.244 -14.291 133.928 1.00855.43 N ATOM 2409 C4 U B 112 -880.664 -13.254 133.117 1.00855.43 C ATOM 2410 O4 U B 112 -880.895 -13.471 131.930 1.00855.43 O ATOM 2411 C5 U B 112 -880.735 -11.980 133.762 1.00855.43 C ATOM 2412 C6 U B 112 -880.399 -11.871 135.047 1.00855.43 C ATOM 2413 P C B 113 -875.061 -10.824 137.176 1.00855.43 P ATOM 2414 O1P C B 113 -874.095 -10.256 138.152 1.00855.43 O ATOM 2415 O2P C B 113 -875.513 -10.002 136.025 1.00855.43 O ATOM 2416 O5* C B 113 -874.461 -12.188 136.616 1.00855.43 O ATOM 2417 C5* C B 113 -873.266 -12.730 137.167 1.00855.43 C ATOM 2418 C4* C B 113 -872.580 -13.637 136.168 1.00855.43 C ATOM 2419 O4* C B 113 -873.483 -14.692 135.741 1.00855.43 O ATOM 2420 C3* C B 113 -872.133 -12.929 134.882 1.00855.43 C ATOM 2421 O3* C B 113 -870.848 -12.327 134.963 1.00855.43 O ATOM 2422 C2* C B 113 -872.162 -14.060 133.862 1.00855.43 C ATOM 2423 O2* C B 113 -870.990 -14.850 133.894 1.00855.43 O ATOM 2424 C1* C B 113 -873.355 -14.885 134.341 1.00855.43 C ATOM 2425 N1 C B 113 -874.598 -14.463 133.681 1.00855.43 N ATOM 2426 C2 C B 113 -874.763 -14.749 132.324 1.00855.43 C ATOM 2427 O2 C B 113 -873.869 -15.370 131.730 1.00855.43 O ATOM 2428 N3 C B 113 -875.884 -14.339 131.691 1.00855.43 N ATOM 2429 C4 C B 113 -876.820 -13.664 132.363 1.00855.43 C ATOM 2430 N4 C B 113 -877.904 -13.271 131.691 1.00855.43 N ATOM 2431 C5 C B 113 -876.682 -13.368 133.750 1.00855.43 C ATOM 2432 C6 C B 113 -875.570 -13.784 134.367 1.00855.43 C ATOM 2433 P C B 114 -870.466 -11.151 133.934 1.00855.43 P ATOM 2434 O1P C B 114 -869.036 -10.816 134.147 1.00855.43 O ATOM 2435 O2P C B 114 -871.495 -10.086 134.050 1.00855.43 O ATOM 2436 O5* C B 114 -870.611 -11.827 132.497 1.00855.43 O ATOM 2437 C5* C B 114 -869.641 -12.758 132.030 1.00855.43 C ATOM 2438 C4* C B 114 -869.920 -13.146 130.596 1.00855.43 C ATOM 2439 O4* C B 114 -871.214 -13.794 130.507 1.00855.43 O ATOM 2440 C3* C B 114 -869.995 -12.023 129.553 1.00855.43 C ATOM 2441 O3* C B 114 -868.737 -11.566 129.065 1.00855.43 O ATOM 2442 C2* C B 114 -870.807 -12.674 128.438 1.00855.43 C ATOM 2443 O2* C B 114 -870.016 -13.459 127.570 1.00855.43 O ATOM 2444 C1* C B 114 -871.758 -13.583 129.216 1.00855.43 C ATOM 2445 N1 C B 114 -873.118 -13.040 129.356 1.00855.43 N ATOM 2446 C2 C B 114 -874.120 -13.531 128.517 1.00855.43 C ATOM 2447 O2 C B 114 -873.819 -14.383 127.671 1.00855.43 O ATOM 2448 N3 C B 114 -875.380 -13.065 128.645 1.00855.43 N ATOM 2449 C4 C B 114 -875.656 -12.138 129.563 1.00855.43 C ATOM 2450 N4 C B 114 -876.919 -11.714 129.662 1.00855.43 N ATOM 2451 C5 C B 114 -874.653 -11.604 130.420 1.00855.43 C ATOM 2452 C6 C B 114 -873.409 -12.080 130.286 1.00855.43 C ATOM 2453 P G B 115 -868.579 -10.047 128.556 1.00855.43 P ATOM 2454 O1P G B 115 -867.176 -9.876 128.100 1.00855.43 O ATOM 2455 O2P G B 115 -869.129 -9.151 129.604 1.00855.43 O ATOM 2456 O5* G B 115 -869.528 -9.957 127.279 1.00855.43 O ATOM 2457 C5* G B 115 -869.155 -10.547 126.033 1.00855.43 C ATOM 2458 C4* G B 115 -870.177 -10.198 124.972 1.00855.43 C ATOM 2459 O4* G B 115 -871.474 -10.686 125.401 1.00855.43 O ATOM 2460 C3* G B 115 -870.409 -8.723 124.705 1.00855.43 C ATOM 2461 O3* G B 115 -869.444 -8.181 123.807 1.00855.43 O ATOM 2462 C2* G B 115 -871.821 -8.700 124.137 1.00855.43 C ATOM 2463 O2* G B 115 -871.862 -9.020 122.762 1.00855.43 O ATOM 2464 C1* G B 115 -872.491 -9.810 124.950 1.00855.43 C ATOM 2465 N9 G B 115 -873.168 -9.298 126.136 1.00855.43 N ATOM 2466 C8 G B 115 -872.564 -8.817 127.271 1.00855.43 C ATOM 2467 N7 G B 115 -873.416 -8.422 128.177 1.00855.43 N ATOM 2468 C5 G B 115 -874.658 -8.654 127.605 1.00855.43 C ATOM 2469 C6 G B 115 -875.957 -8.424 128.117 1.00855.43 C ATOM 2470 O6 G B 115 -876.281 -7.957 129.212 1.00855.43 O ATOM 2471 N1 G B 115 -876.936 -8.802 127.208 1.00855.43 N ATOM 2472 C2 G B 115 -876.700 -9.333 125.964 1.00855.43 C ATOM 2473 N2 G B 115 -877.785 -9.629 125.237 1.00855.43 N ATOM 2474 N3 G B 115 -875.492 -9.555 125.473 1.00855.43 N ATOM 2475 C4 G B 115 -874.524 -9.195 126.343 1.00855.43 C ATOM 2476 P A B 116 -869.088 -7.943 124.774 1.00853.92 P ATOM 2477 O1P A B 116 -867.630 -8.159 124.590 1.00853.92 O ATOM 2478 O2P A B 116 -869.599 -7.462 126.085 1.00853.92 O ATOM 2479 O5* A B 116 -869.586 -6.927 123.649 1.00853.92 O ATOM 2480 C5* A B 116 -868.655 -6.302 122.780 1.00853.92 C ATOM 2481 C4* A B 116 -868.310 -4.914 123.274 1.00853.92 C ATOM 2482 O4* A B 116 -869.465 -4.041 123.196 1.00853.92 O ATOM 2483 C3* A B 116 -867.845 -4.829 124.718 1.00853.92 C ATOM 2484 O3* A B 116 -866.476 -5.146 124.935 1.00853.92 O ATOM 2485 C2* A B 116 -868.133 -3.369 125.058 1.00853.92 C ATOM 2486 O2* A B 116 -867.103 -2.492 124.649 1.00853.92 O ATOM 2487 C1* A B 116 -869.404 -3.096 124.251 1.00853.92 C ATOM 2488 N9 A B 116 -870.576 -3.225 125.117 1.00853.92 N ATOM 2489 C8 A B 116 -870.664 -2.930 126.457 1.00853.92 C ATOM 2490 N7 A B 116 -871.884 -2.998 126.937 1.00853.92 N ATOM 2491 C5 A B 116 -872.637 -3.410 125.850 1.00853.92 C ATOM 2492 C6 A B 116 -874.006 -3.639 125.704 1.00853.92 C ATOM 2493 N6 A B 116 -874.879 -3.436 126.699 1.00853.92 N ATOM 2494 N1 A B 116 -874.453 -4.050 124.492 1.00853.92 N ATOM 2495 C2 A B 116 -873.565 -4.181 123.496 1.00853.92 C ATOM 2496 N3 A B 116 -872.248 -3.968 123.505 1.00853.92 N ATOM 2497 C4 A B 116 -871.846 -3.582 124.730 1.00853.92 C ATOM 2498 P A B 117 -865.987 -5.615 126.394 1.00853.92 P ATOM 2499 O1P A B 117 -864.864 -4.728 126.794 1.00853.92 O ATOM 2500 O2P A B 117 -865.781 -7.084 126.358 1.00853.92 O ATOM 2501 O5* A B 117 -867.220 -5.312 127.358 1.00853.92 O ATOM 2502 C5* A B 117 -867.663 -6.291 128.295 1.00853.92 C ATOM 2503 C4* A B 117 -868.442 -5.643 129.420 1.00853.92 C ATOM 2504 O4* A B 117 -869.641 -5.029 128.892 1.00853.92 O ATOM 2505 C3* A B 117 -868.957 -6.581 130.499 1.00853.92 C ATOM 2506 O3* A B 117 -867.953 -6.807 131.485 1.00853.92 O ATOM 2507 C2* A B 117 -870.148 -5.831 131.088 1.00853.92 C ATOM 2508 O2* A B 117 -869.765 -4.934 132.113 1.00853.92 O ATOM 2509 C1* A B 117 -870.652 -5.033 129.882 1.00853.92 C ATOM 2510 N9 A B 117 -871.888 -5.515 129.267 1.00853.92 N ATOM 2511 C8 A B 117 -872.065 -6.081 128.023 1.00853.92 C ATOM 2512 N7 A B 117 -873.321 -6.345 127.734 1.00853.92 N ATOM 2513 C5 A B 117 -874.010 -5.951 128.873 1.00853.92 C ATOM 2514 C6 A B 117 -875.377 -5.966 129.204 1.00853.92 C ATOM 2515 N6 A B 117 -876.331 -6.404 128.381 1.00853.92 N ATOM 2516 N1 A B 117 -875.733 -5.505 130.421 1.00853.92 N ATOM 2517 C2 A B 117 -874.779 -5.057 131.241 1.00853.92 C ATOM 2518 N3 A B 117 -873.465 -4.983 131.044 1.00853.92 N ATOM 2519 C4 A B 117 -873.142 -5.452 129.828 1.00853.92 C ATOM 2520 P U B 118 -866.738 -7.814 131.173 1.00853.92 P ATOM 2521 O1P U B 118 -867.250 -8.845 130.231 1.00853.92 O ATOM 2522 O2P U B 118 -866.136 -8.237 132.464 1.00853.92 O ATOM 2523 O5* U B 118 -865.694 -6.894 130.393 1.00853.92 O ATOM 2524 C5* U B 118 -864.454 -6.526 130.986 1.00853.92 C ATOM 2525 C4* U B 118 -864.561 -5.166 131.645 1.00853.92 C ATOM 2526 O4* U B 118 -864.743 -4.110 130.662 1.00853.92 O ATOM 2527 C3* U B 118 -865.696 -5.001 132.638 1.00853.92 C ATOM 2528 O3* U B 118 -865.320 -5.503 133.919 1.00853.92 O ATOM 2529 C2* U B 118 -865.862 -3.474 132.684 1.00853.92 C ATOM 2530 O2* U B 118 -864.972 -2.881 133.606 1.00853.92 O ATOM 2531 C1* U B 118 -865.450 -3.045 131.266 1.00853.92 C ATOM 2532 N1 U B 118 -866.456 -2.498 130.327 1.00853.92 N ATOM 2533 C2 U B 118 -867.396 -1.564 130.803 1.00853.92 C ATOM 2534 O2 U B 118 -867.469 -1.247 131.978 1.00853.92 O ATOM 2535 N3 U B 118 -868.243 -1.021 129.838 1.00853.92 N ATOM 2536 C4 U B 118 -868.241 -1.323 128.494 1.00853.92 C ATOM 2537 O4 U B 118 -868.948 -0.655 127.732 1.00853.92 O ATOM 2538 C5 U B 118 -867.285 -2.324 128.099 1.00853.92 C ATOM 2539 C6 U B 118 -866.454 -2.865 129.005 1.00853.92 C ATOM 2540 P G B 119 -866.444 -5.990 134.960 1.00853.92 P ATOM 2541 O1P G B 119 -866.190 -7.420 135.262 1.00853.92 O ATOM 2542 O2P G B 119 -867.775 -5.574 134.450 1.00853.92 O ATOM 2543 O5* G B 119 -866.124 -5.149 136.274 1.00853.92 O ATOM 2544 C5* G B 119 -865.966 -3.732 136.219 1.00853.92 C ATOM 2545 C4* G B 119 -864.593 -3.342 136.723 1.00853.92 C ATOM 2546 O4* G B 119 -864.722 -2.734 138.034 1.00853.92 O ATOM 2547 C3* G B 119 -863.590 -4.463 136.904 1.00853.92 C ATOM 2548 O3* G B 119 -862.926 -4.720 135.673 1.00853.92 O ATOM 2549 C2* G B 119 -862.653 -3.921 137.973 1.00853.92 C ATOM 2550 O2* G B 119 -861.646 -3.079 137.439 1.00853.92 O ATOM 2551 C1* G B 119 -863.611 -3.091 138.836 1.00853.92 C ATOM 2552 N9 G B 119 -864.124 -3.821 139.992 1.00853.92 N ATOM 2553 C8 G B 119 -865.418 -4.247 140.178 1.00853.92 C ATOM 2554 N7 G B 119 -865.589 -4.874 141.308 1.00853.92 N ATOM 2555 C5 G B 119 -864.337 -4.866 141.903 1.00853.92 C ATOM 2556 C6 G B 119 -863.907 -5.398 143.143 1.00853.92 C ATOM 2557 O6 G B 119 -864.572 -6.003 143.992 1.00853.92 O ATOM 2558 N1 G B 119 -862.552 -5.167 143.355 1.00853.92 N ATOM 2559 C2 G B 119 -861.718 -4.509 142.491 1.00853.92 C ATOM 2560 N2 G B 119 -860.440 -4.390 142.875 1.00853.92 N ATOM 2561 N3 G B 119 -862.105 -4.005 141.329 1.00853.92 N ATOM 2562 C4 G B 119 -863.418 -4.219 141.104 1.00853.92 C ATOM 2563 P G B 120 -862.712 -6.238 135.183 1.00853.92 P ATOM 2564 O1P G B 120 -862.725 -6.225 133.698 1.00853.92 O ATOM 2565 O2P G B 120 -863.664 -7.106 135.920 1.00853.92 O ATOM 2566 O5* G B 120 -861.234 -6.598 135.660 1.00853.92 O ATOM 2567 C5* G B 120 -860.255 -5.579 135.839 1.00853.92 C ATOM 2568 C4* G B 120 -859.422 -5.863 137.065 1.00853.92 C ATOM 2569 O4* G B 120 -860.233 -5.678 138.257 1.00853.92 O ATOM 2570 C3* G B 120 -858.949 -7.318 137.122 1.00853.92 C ATOM 2571 O3* G B 120 -857.726 -7.575 136.449 1.00853.92 O ATOM 2572 C2* G B 120 -858.859 -7.585 138.618 1.00853.92 C ATOM 2573 O2* G B 120 -857.650 -7.115 139.182 1.00853.92 O ATOM 2574 C1* G B 120 -860.033 -6.764 139.146 1.00853.92 C ATOM 2575 N9 G B 120 -861.252 -7.564 139.160 1.00853.92 N ATOM 2576 C8 G B 120 -862.485 -7.207 138.669 1.00853.92 C ATOM 2577 N7 G B 120 -863.372 -8.155 138.780 1.00853.92 N ATOM 2578 C5 G B 120 -862.690 -9.199 139.395 1.00853.92 C ATOM 2579 C6 G B 120 -863.132 -10.495 139.766 1.00853.92 C ATOM 2580 O6 G B 120 -864.251 -10.999 139.623 1.00853.92 O ATOM 2581 N1 G B 120 -862.112 -11.231 140.363 1.00853.92 N ATOM 2582 C2 G B 120 -860.831 -10.780 140.568 1.00853.92 C ATOM 2583 N2 G B 120 -859.992 -11.644 141.158 1.00853.92 N ATOM 2584 N3 G B 120 -860.406 -9.577 140.223 1.00853.92 N ATOM 2585 C4 G B 120 -861.385 -8.842 139.644 1.00853.92 C ATOM 2586 P G B 121 -857.552 -8.952 135.634 1.00853.92 P ATOM 2587 O1P G B 121 -856.102 -9.167 135.404 1.00853.92 O ATOM 2588 O2P G B 121 -858.484 -8.923 134.477 1.00853.92 O ATOM 2589 O5* G B 121 -858.067 -10.065 136.648 1.00853.92 O ATOM 2590 C5* G B 121 -857.169 -10.688 137.562 1.00853.92 C ATOM 2591 C4* G B 121 -857.568 -12.126 137.794 1.00853.92 C ATOM 2592 O4* G B 121 -858.815 -12.179 138.531 1.00853.92 O ATOM 2593 C3* G B 121 -857.830 -12.950 136.529 1.00853.92 C ATOM 2594 O3* G B 121 -856.677 -13.486 135.891 1.00853.92 O ATOM 2595 C2* G B 121 -858.764 -14.037 137.044 1.00853.92 C ATOM 2596 O2* G B 121 -858.077 -15.090 137.685 1.00853.92 O ATOM 2597 C1* G B 121 -859.598 -13.266 138.067 1.00853.92 C ATOM 2598 N9 G B 121 -860.821 -12.736 137.475 1.00853.92 N ATOM 2599 C8 G B 121 -861.155 -11.417 137.282 1.00853.92 C ATOM 2600 N7 G B 121 -862.326 -11.263 136.724 1.00853.92 N ATOM 2601 C5 G B 121 -862.788 -12.558 136.532 1.00853.92 C ATOM 2602 C6 G B 121 -864.003 -13.028 135.965 1.00853.92 C ATOM 2603 O6 G B 121 -864.942 -12.373 135.505 1.00853.92 O ATOM 2604 N1 G B 121 -864.060 -14.417 135.964 1.00853.92 N ATOM 2605 C2 G B 121 -863.078 -15.249 136.444 1.00853.92 C ATOM 2606 N2 G B 121 -863.319 -16.566 136.349 1.00853.92 N ATOM 2607 N3 G B 121 -861.949 -14.826 136.978 1.00853.92 N ATOM 2608 C4 G B 121 -861.870 -13.478 136.989 1.00853.92 C ATOM 2609 P G B 122 -856.350 -13.067 134.376 1.00853.92 P ATOM 2610 O1P G B 122 -854.940 -13.434 134.102 1.00853.92 O ATOM 2611 O2P G B 122 -856.793 -11.664 134.180 1.00853.92 O ATOM 2612 O5* G B 122 -857.293 -14.013 133.502 1.00853.92 O ATOM 2613 C5* G B 122 -857.852 -15.199 134.057 1.00853.92 C ATOM 2614 C4* G B 122 -859.343 -15.244 133.806 1.00853.92 C ATOM 2615 O4* G B 122 -859.992 -14.132 134.472 1.00853.92 O ATOM 2616 C3* G B 122 -859.729 -15.117 132.348 1.00853.92 C ATOM 2617 O3* G B 122 -859.708 -16.377 131.694 1.00853.92 O ATOM 2618 C2* G B 122 -861.135 -14.529 132.417 1.00853.92 C ATOM 2619 O2* G B 122 -862.129 -15.515 132.614 1.00853.92 O ATOM 2620 C1* G B 122 -861.040 -13.635 133.654 1.00853.92 C ATOM 2621 N9 G B 122 -860.738 -12.252 133.302 1.00853.92 N ATOM 2622 C8 G B 122 -859.555 -11.760 132.799 1.00853.92 C ATOM 2623 N7 G B 122 -859.599 -10.477 132.556 1.00853.92 N ATOM 2624 C5 G B 122 -860.883 -10.100 132.928 1.00853.92 C ATOM 2625 C6 G B 122 -861.514 -8.830 132.895 1.00853.92 C ATOM 2626 O6 G B 122 -861.050 -7.748 132.509 1.00853.92 O ATOM 2627 N1 G B 122 -862.819 -8.897 133.369 1.00853.92 N ATOM 2628 C2 G B 122 -863.440 -10.036 133.820 1.00853.92 C ATOM 2629 N2 G B 122 -864.702 -9.894 134.244 1.00853.92 N ATOM 2630 N3 G B 122 -862.864 -11.227 133.852 1.00853.92 N ATOM 2631 C4 G B 122 -861.596 -11.185 133.395 1.00853.92 C ATOM 2632 P A B 123 -859.607 -16.440 130.094 1.00853.92 P ATOM 2633 O1P A B 123 -858.196 -16.762 129.757 1.00853.92 O ATOM 2634 O2P A B 123 -860.228 -15.209 129.538 1.00853.92 O ATOM 2635 O5* A B 123 -860.510 -17.683 129.682 1.00853.92 O ATOM 2636 C5* A B 123 -861.800 -17.890 130.260 1.00853.92 C ATOM 2637 C4* A B 123 -862.170 -19.351 130.154 1.00853.92 C ATOM 2638 O4* A B 123 -861.027 -20.143 130.526 1.00853.92 O ATOM 2639 C3* A B 123 -863.354 -19.841 131.015 1.00853.92 C ATOM 2640 O3* A B 123 -864.648 -19.659 130.426 1.00853.92 O ATOM 2641 C2* A B 123 -863.000 -21.313 131.224 1.00853.92 C ATOM 2642 O2* A B 123 -863.472 -22.147 130.191 1.00853.92 O ATOM 2643 C1* A B 123 -861.468 -21.297 131.204 1.00853.92 C ATOM 2644 N9 A B 123 -860.777 -21.397 132.486 1.00853.92 N ATOM 2645 C8 A B 123 -859.966 -20.493 133.128 1.00853.92 C ATOM 2646 N7 A B 123 -859.462 -20.947 134.252 1.00853.92 N ATOM 2647 C5 A B 123 -859.985 -22.228 134.357 1.00853.92 C ATOM 2648 C6 A B 123 -859.832 -23.240 135.317 1.00853.92 C ATOM 2649 N6 A B 123 -859.048 -23.140 136.392 1.00853.92 N ATOM 2650 N1 A B 123 -860.516 -24.386 135.125 1.00853.92 N ATOM 2651 C2 A B 123 -861.293 -24.494 134.037 1.00853.92 C ATOM 2652 N3 A B 123 -861.498 -23.633 133.064 1.00853.92 N ATOM 2653 C4 A B 123 -860.809 -22.505 133.284 1.00853.92 C ATOM 2654 P A B 124 -865.967 -20.279 131.126 1.00853.92 P ATOM 2655 O1P A B 124 -865.844 -20.245 132.605 1.00853.92 O ATOM 2656 O2P A B 124 -866.254 -21.564 130.442 1.00853.92 O ATOM 2657 O5* A B 124 -867.132 -19.276 130.733 1.00853.92 O ATOM 2658 C5* A B 124 -867.280 -18.059 131.425 1.00853.92 C ATOM 2659 C4* A B 124 -868.736 -17.708 131.567 1.00853.92 C ATOM 2660 O4* A B 124 -869.344 -17.508 130.270 1.00853.92 O ATOM 2661 C3* A B 124 -869.587 -18.749 132.256 1.00853.92 C ATOM 2662 O3* A B 124 -869.504 -18.639 133.672 1.00853.92 O ATOM 2663 C2* A B 124 -870.987 -18.416 131.746 1.00853.92 C ATOM 2664 O2* A B 124 -871.608 -17.396 132.498 1.00853.92 O ATOM 2665 C1* A B 124 -870.703 -17.904 130.329 1.00853.92 C ATOM 2666 N9 A B 124 -870.959 -18.905 129.300 1.00853.92 N ATOM 2667 C8 A B 124 -870.232 -20.036 129.083 1.00853.92 C ATOM 2668 N7 A B 124 -870.698 -20.789 128.121 1.00853.92 N ATOM 2669 C5 A B 124 -871.803 -20.094 127.656 1.00853.92 C ATOM 2670 C6 A B 124 -872.705 -20.349 126.610 1.00853.92 C ATOM 2671 N6 A B 124 -872.630 -21.420 125.814 1.00853.92 N ATOM 2672 N1 A B 124 -873.691 -19.452 126.400 1.00853.92 N ATOM 2673 C2 A B 124 -873.745 -18.366 127.184 1.00853.92 C ATOM 2674 N3 A B 124 -872.941 -18.007 128.184 1.00853.92 N ATOM 2675 C4 A B 124 -871.978 -18.926 128.372 1.00853.92 C ATOM 2676 P A B 125 -869.043 -19.905 134.540 1.00853.92 P ATOM 2677 O1P A B 125 -867.557 -19.939 134.519 1.00853.92 O ATOM 2678 O2P A B 125 -869.810 -21.086 134.072 1.00853.92 O ATOM 2679 O5* A B 125 -869.521 -19.539 136.011 1.00853.92 O ATOM 2680 C5* A B 125 -870.095 -18.265 136.291 1.00853.92 C ATOM 2681 C4* A B 125 -871.596 -18.377 136.395 1.00853.92 C ATOM 2682 O4* A B 125 -872.151 -18.721 135.100 1.00853.92 O ATOM 2683 C3* A B 125 -872.090 -19.464 137.343 1.00853.92 C ATOM 2684 O3* A B 125 -872.176 -19.013 138.690 1.00853.92 O ATOM 2685 C2* A B 125 -873.456 -19.814 136.768 1.00853.92 C ATOM 2686 O2* A B 125 -874.473 -18.933 137.201 1.00853.92 O ATOM 2687 C1* A B 125 -873.225 -19.627 135.264 1.00853.92 C ATOM 2688 N9 A B 125 -872.895 -20.875 134.575 1.00853.92 N ATOM 2689 C8 A B 125 -872.445 -22.051 135.125 1.00853.92 C ATOM 2690 N7 A B 125 -872.255 -23.003 134.246 1.00853.92 N ATOM 2691 C5 A B 125 -872.600 -22.416 133.038 1.00853.92 C ATOM 2692 C6 A B 125 -872.607 -22.901 131.716 1.00853.92 C ATOM 2693 N6 A B 125 -872.255 -24.143 131.379 1.00853.92 N ATOM 2694 N1 A B 125 -872.996 -22.052 130.738 1.00853.92 N ATOM 2695 C2 A B 125 -873.349 -20.808 131.075 1.00853.92 C ATOM 2696 N3 A B 125 -873.380 -20.235 132.275 1.00853.92 N ATOM 2697 C4 A B 125 -872.989 -21.104 133.224 1.00853.92 C ATOM 2698 P C B 126 -872.343 -20.086 139.879 1.00853.92 P ATOM 2699 O1P C B 126 -872.559 -21.414 139.253 1.00853.92 O ATOM 2700 O2P C B 126 -873.338 -19.554 140.843 1.00853.92 O ATOM 2701 O5* C B 126 -870.917 -20.097 140.591 1.00853.92 O ATOM 2702 C5* C B 126 -870.413 -18.933 141.238 1.00853.92 C ATOM 2703 C4* C B 126 -868.918 -18.844 141.072 1.00853.92 C ATOM 2704 O4* C B 126 -868.599 -18.753 139.657 1.00853.92 O ATOM 2705 C3* C B 126 -868.207 -17.646 141.648 1.00853.92 C ATOM 2706 O3* C B 126 -868.005 -17.817 143.046 1.00853.92 O ATOM 2707 C2* C B 126 -866.904 -17.596 140.860 1.00853.92 C ATOM 2708 O2* C B 126 -865.919 -18.468 141.378 1.00853.92 O ATOM 2709 C1* C B 126 -867.359 -18.086 139.485 1.00853.92 C ATOM 2710 N1 C B 126 -867.585 -16.976 138.546 1.00853.92 N ATOM 2711 C2 C B 126 -866.688 -16.777 137.491 1.00853.92 C ATOM 2712 O2 C B 126 -865.725 -17.546 137.368 1.00853.92 O ATOM 2713 N3 C B 126 -866.898 -15.750 136.637 1.00853.92 N ATOM 2714 C4 C B 126 -867.946 -14.944 136.802 1.00853.92 C ATOM 2715 N4 C B 126 -868.115 -13.942 135.936 1.00853.92 N ATOM 2716 C5 C B 126 -868.872 -15.123 137.867 1.00853.92 C ATOM 2717 C6 C B 126 -868.659 -16.143 138.706 1.00853.92 C ATOM 2718 P C B 127 -867.837 -16.522 143.984 1.00853.92 P ATOM 2719 O1P C B 127 -868.479 -16.828 145.289 1.00853.92 O ATOM 2720 O2P C B 127 -868.276 -15.332 143.212 1.00853.92 O ATOM 2721 O5* C B 127 -866.265 -16.415 144.214 1.00853.92 O ATOM 2722 C5* C B 127 -865.694 -16.733 145.477 1.00853.92 C ATOM 2723 C4* C B 127 -864.239 -16.330 145.517 1.00853.92 C ATOM 2724 O4* C B 127 -863.572 -16.782 144.309 1.00853.92 O ATOM 2725 C3* C B 127 -863.936 -14.837 145.614 1.00853.92 C ATOM 2726 O3* C B 127 -863.947 -14.384 146.962 1.00853.92 O ATOM 2727 C2* C B 127 -862.549 -14.739 144.989 1.00853.92 C ATOM 2728 O2* C B 127 -861.520 -15.055 145.903 1.00853.92 O ATOM 2729 C1* C B 127 -862.618 -15.816 143.902 1.00853.92 C ATOM 2730 N1 C B 127 -863.034 -15.267 142.600 1.00853.92 N ATOM 2731 C2 C B 127 -862.097 -14.571 141.831 1.00853.92 C ATOM 2732 O2 C B 127 -860.936 -14.465 142.253 1.00853.92 O ATOM 2733 N3 C B 127 -862.475 -14.042 140.647 1.00853.92 N ATOM 2734 C4 C B 127 -863.732 -14.186 140.221 1.00853.92 C ATOM 2735 N4 C B 127 -864.065 -13.639 139.051 1.00853.92 N ATOM 2736 C5 C B 127 -864.706 -14.898 140.983 1.00853.92 C ATOM 2737 C6 C B 127 -864.319 -15.419 142.155 1.00853.92 C ATOM 2738 P C B 128 -864.324 -12.854 147.281 1.00853.92 P ATOM 2739 O1P C B 128 -864.532 -12.736 148.750 1.00853.92 O ATOM 2740 O2P C B 128 -865.407 -12.440 146.351 1.00853.92 O ATOM 2741 O5* C B 128 -863.008 -12.044 146.899 1.00853.92 O ATOM 2742 C5* C B 128 -861.788 -12.261 147.602 1.00853.92 C ATOM 2743 C4* C B 128 -860.835 -11.115 147.354 1.00853.92 C ATOM 2744 O4* C B 128 -860.586 -11.013 145.926 1.00853.92 O ATOM 2745 C3* C B 128 -861.253 -9.714 147.772 1.00853.92 C ATOM 2746 O3* C B 128 -860.981 -9.483 149.151 1.00853.92 O ATOM 2747 C2* C B 128 -860.407 -8.831 146.860 1.00853.92 C ATOM 2748 O2* C B 128 -859.100 -8.621 147.361 1.00853.92 O ATOM 2749 C1* C B 128 -860.341 -9.663 145.577 1.00853.92 C ATOM 2750 N1 C B 128 -861.344 -9.264 144.575 1.00853.92 N ATOM 2751 C2 C B 128 -861.056 -8.197 143.719 1.00853.92 C ATOM 2752 O2 C B 128 -859.973 -7.607 143.839 1.00853.92 O ATOM 2753 N3 C B 128 -861.971 -7.832 142.791 1.00853.92 N ATOM 2754 C4 C B 128 -863.128 -8.492 142.699 1.00853.92 C ATOM 2755 N4 C B 128 -864.002 -8.104 141.764 1.00853.92 N ATOM 2756 C5 C B 128 -863.447 -9.579 143.564 1.00853.92 C ATOM 2757 C6 C B 128 -862.534 -9.929 144.476 1.00853.92 C ATOM 2758 P A B 129 -861.212 -8.021 149.780 1.00853.92 P ATOM 2759 O1P A B 129 -861.408 -8.186 151.241 1.00853.92 O ATOM 2760 O2P A B 129 -862.250 -7.330 148.976 1.00853.92 O ATOM 2761 O5* A B 129 -859.825 -7.269 149.548 1.00853.92 O ATOM 2762 C5* A B 129 -859.619 -5.957 150.054 1.00853.92 C ATOM 2763 C4* A B 129 -858.966 -5.083 149.006 1.00853.92 C ATOM 2764 O4* A B 129 -859.500 -5.420 147.706 1.00853.92 O ATOM 2765 C3* A B 129 -859.217 -3.589 149.192 1.00853.92 C ATOM 2766 O3* A B 129 -858.226 -2.988 150.024 1.00853.92 O ATOM 2767 C2* A B 129 -859.167 -3.059 147.763 1.00853.92 C ATOM 2768 O2* A B 129 -857.849 -2.792 147.327 1.00853.92 O ATOM 2769 C1* A B 129 -859.733 -4.240 146.964 1.00853.92 C ATOM 2770 N9 A B 129 -861.170 -4.159 146.709 1.00853.92 N ATOM 2771 C8 A B 129 -862.146 -4.979 147.223 1.00853.92 C ATOM 2772 N7 A B 129 -863.351 -4.694 146.800 1.00853.92 N ATOM 2773 C5 A B 129 -863.159 -3.611 145.951 1.00853.92 C ATOM 2774 C6 A B 129 -864.049 -2.845 145.188 1.00853.92 C ATOM 2775 N6 A B 129 -865.363 -3.065 145.154 1.00853.92 N ATOM 2776 N1 A B 129 -863.536 -1.834 144.452 1.00853.92 N ATOM 2777 C2 A B 129 -862.217 -1.621 144.492 1.00853.92 C ATOM 2778 N3 A B 129 -861.276 -2.273 145.171 1.00853.92 N ATOM 2779 C4 A B 129 -861.820 -3.268 145.891 1.00853.92 C ATOM 2780 P C B 130 -858.649 -2.347 151.436 1.00853.92 P ATOM 2781 O1P C B 130 -857.391 -2.039 152.166 1.00853.92 O ATOM 2782 O2P C B 130 -859.667 -3.227 152.067 1.00853.92 O ATOM 2783 O5* C B 130 -859.345 -0.963 151.057 1.00853.92 O ATOM 2784 C5* C B 130 -858.587 0.093 150.470 1.00853.92 C ATOM 2785 C4* C B 130 -859.409 0.822 149.432 1.00853.92 C ATOM 2786 O4* C B 130 -859.993 -0.145 148.518 1.00853.92 O ATOM 2787 C3* C B 130 -860.622 1.594 149.926 1.00853.92 C ATOM 2788 O3* C B 130 -860.281 2.882 150.433 1.00853.92 O ATOM 2789 C2* C B 130 -861.485 1.700 148.677 1.00853.92 C ATOM 2790 O2* C B 130 -861.088 2.762 147.832 1.00853.92 O ATOM 2791 C1* C B 130 -861.206 0.363 147.992 1.00853.92 C ATOM 2792 N1 C B 130 -862.277 -0.606 148.260 1.00853.92 N ATOM 2793 C2 C B 130 -863.456 -0.532 147.512 1.00853.92 C ATOM 2794 O2 C B 130 -863.546 0.319 146.617 1.00853.92 O ATOM 2795 N3 C B 130 -864.463 -1.393 147.782 1.00853.92 N ATOM 2796 C4 C B 130 -864.322 -2.301 148.750 1.00853.92 C ATOM 2797 N4 C B 130 -865.348 -3.123 148.991 1.00853.92 N ATOM 2798 C5 C B 130 -863.127 -2.409 149.515 1.00853.92 C ATOM 2799 C6 C B 130 -862.139 -1.552 149.238 1.00853.92 C ATOM 2800 P C B 131 -860.900 3.369 151.834 1.00853.92 P ATOM 2801 O1P C B 131 -859.957 4.355 152.420 1.00853.92 O ATOM 2802 O2P C B 131 -861.280 2.166 152.616 1.00853.92 O ATOM 2803 O5* C B 131 -862.234 4.141 151.423 1.00853.92 O ATOM 2804 C5* C B 131 -862.384 5.530 151.698 1.00853.92 C ATOM 2805 C4* C B 131 -863.600 6.086 150.989 1.00853.92 C ATOM 2806 O4* C B 131 -863.796 5.394 149.730 1.00853.92 O ATOM 2807 C3* C B 131 -864.948 5.993 151.695 1.00853.92 C ATOM 2808 O3* C B 131 -865.146 7.055 152.620 1.00853.92 O ATOM 2809 C2* C B 131 -865.932 6.077 150.536 1.00853.92 C ATOM 2810 O2* C B 131 -866.177 7.407 150.128 1.00853.92 O ATOM 2811 C1* C B 131 -865.180 5.329 149.433 1.00853.92 C ATOM 2812 N1 C B 131 -865.586 3.919 149.351 1.00853.92 N ATOM 2813 C2 C B 131 -866.710 3.583 148.590 1.00853.92 C ATOM 2814 O2 C B 131 -867.310 4.483 147.982 1.00853.92 O ATOM 2815 N3 C B 131 -867.107 2.292 148.529 1.00853.92 N ATOM 2816 C4 C B 131 -866.428 1.354 149.193 1.00853.92 C ATOM 2817 N4 C B 131 -866.861 0.095 149.114 1.00853.92 N ATOM 2818 C5 C B 131 -865.274 1.668 149.970 1.00853.92 C ATOM 2819 C6 C B 131 -864.890 2.949 150.020 1.00853.92 C ATOM 2820 P U B 132 -866.205 6.874 153.817 1.00853.92 P ATOM 2821 O1P U B 132 -865.946 7.946 154.809 1.00853.92 O ATOM 2822 O2P U B 132 -866.178 5.456 154.248 1.00853.92 O ATOM 2823 O5* U B 132 -867.619 7.158 153.135 1.00853.92 O ATOM 2824 C5* U B 132 -868.086 8.494 152.948 1.00853.92 C ATOM 2825 C4* U B 132 -869.337 8.500 152.103 1.00853.92 C ATOM 2826 O4* U B 132 -869.103 7.746 150.886 1.00853.92 O ATOM 2827 C3* U B 132 -870.579 7.882 152.718 1.00853.92 C ATOM 2828 O3* U B 132 -871.273 8.862 153.485 1.00853.92 O ATOM 2829 C2* U B 132 -871.383 7.439 151.502 1.00853.92 C ATOM 2830 O2* U B 132 -872.160 8.488 150.952 1.00853.92 O ATOM 2831 C1* U B 132 -870.279 7.052 150.517 1.00853.92 C ATOM 2832 N1 U B 132 -869.986 5.611 150.522 1.00853.92 N ATOM 2833 C2 U B 132 -870.646 4.818 149.605 1.00853.92 C ATOM 2834 O2 U B 132 -871.450 5.262 148.800 1.00853.92 O ATOM 2835 N3 U B 132 -870.333 3.483 149.660 1.00853.92 N ATOM 2836 C4 U B 132 -869.446 2.875 150.522 1.00853.92 C ATOM 2837 O4 U B 132 -869.268 1.656 150.450 1.00853.92 O ATOM 2838 C5 U B 132 -868.802 3.763 151.441 1.00853.92 C ATOM 2839 C6 U B 132 -869.085 5.067 151.410 1.00853.92 C ATOM 2840 P C B 133 -871.776 8.503 154.970 1.00853.92 P ATOM 2841 O1P C B 133 -872.557 9.663 155.468 1.00853.92 O ATOM 2842 O2P C B 133 -870.608 8.014 155.746 1.00853.92 O ATOM 2843 O5* C B 133 -872.778 7.283 154.758 1.00853.92 O ATOM 2844 C5* C B 133 -874.118 7.498 154.315 1.00853.92 C ATOM 2845 C4* C B 133 -874.900 6.210 154.379 1.00853.92 C ATOM 2846 O4* C B 133 -874.100 5.140 153.811 1.00853.92 O ATOM 2847 C3* C B 133 -875.282 5.742 155.777 1.00853.92 C ATOM 2848 O3* C B 133 -876.547 6.288 156.144 1.00853.92 O ATOM 2849 C2* C B 133 -875.343 4.223 155.628 1.00853.92 C ATOM 2850 O2* C B 133 -876.594 3.775 155.138 1.00853.92 O ATOM 2851 C1* C B 133 -874.264 3.963 154.578 1.00853.92 C ATOM 2852 N1 C B 133 -872.949 3.597 155.137 1.00853.92 N ATOM 2853 C2 C B 133 -872.845 2.457 155.945 1.00853.92 C ATOM 2854 O2 C B 133 -873.865 1.789 156.181 1.00853.92 O ATOM 2855 N3 C B 133 -871.636 2.114 156.448 1.00853.92 N ATOM 2856 C4 C B 133 -870.563 2.855 156.173 1.00853.92 C ATOM 2857 N4 C B 133 -869.390 2.479 156.683 1.00853.92 N ATOM 2858 C5 C B 133 -870.642 4.025 155.356 1.00853.92 C ATOM 2859 C6 C B 133 -871.845 4.355 154.867 1.00853.92 C ATOM 2860 P G B 134 -876.900 6.520 157.697 1.00853.92 P ATOM 2861 O1P G B 134 -878.379 6.602 157.805 1.00853.92 O ATOM 2862 O2P G B 134 -876.064 7.639 158.202 1.00853.92 O ATOM 2863 O5* G B 134 -876.430 5.177 158.410 1.00853.92 O ATOM 2864 C5* G B 134 -877.222 3.993 158.336 1.00853.92 C ATOM 2865 C4* G B 134 -876.490 2.836 158.977 1.00853.92 C ATOM 2866 O4* G B 134 -875.082 2.915 158.641 1.00853.92 O ATOM 2867 C3* G B 134 -876.520 2.774 160.497 1.00853.92 C ATOM 2868 O3* G B 134 -877.704 2.129 160.953 1.00853.92 O ATOM 2869 C2* G B 134 -875.265 1.970 160.822 1.00853.92 C ATOM 2870 O2* G B 134 -875.468 0.577 160.728 1.00853.92 O ATOM 2871 C1* G B 134 -874.307 2.422 159.717 1.00853.92 C ATOM 2872 N9 G B 134 -873.388 3.470 160.144 1.00853.92 N ATOM 2873 C8 G B 134 -873.688 4.792 160.379 1.00853.92 C ATOM 2874 N7 G B 134 -872.650 5.492 160.753 1.00853.92 N ATOM 2875 C5 G B 134 -871.605 4.578 160.769 1.00853.92 C ATOM 2876 C6 G B 134 -870.235 4.752 161.096 1.00853.92 C ATOM 2877 O6 G B 134 -869.650 5.787 161.445 1.00853.92 O ATOM 2878 N1 G B 134 -869.529 3.562 160.980 1.00853.92 N ATOM 2879 C2 G B 134 -870.067 2.358 160.601 1.00853.92 C ATOM 2880 N2 G B 134 -869.220 1.320 160.555 1.00853.92 N ATOM 2881 N3 G B 134 -871.340 2.181 160.292 1.00853.92 N ATOM 2882 C4 G B 134 -872.045 3.327 160.397 1.00853.92 C ATOM 2883 P U B 135 -878.694 2.898 161.959 1.00853.92 P ATOM 2884 O1P U B 135 -879.949 2.109 162.029 1.00853.92 O ATOM 2885 O2P U B 135 -878.749 4.329 161.561 1.00853.92 O ATOM 2886 O5* U B 135 -877.970 2.802 163.372 1.00853.92 O ATOM 2887 C5* U B 135 -877.120 1.699 163.686 1.00853.92 C ATOM 2888 C4* U B 135 -877.412 1.196 165.079 1.00853.92 C ATOM 2889 O4* U B 135 -878.779 0.722 165.141 1.00853.92 O ATOM 2890 C3* U B 135 -876.578 0.009 165.512 1.00853.92 C ATOM 2891 O3* U B 135 -875.334 0.452 166.046 1.00853.92 O ATOM 2892 C2* U B 135 -877.459 -0.664 166.555 1.00853.92 C ATOM 2893 O2* U B 135 -877.350 -0.066 167.831 1.00853.92 O ATOM 2894 C1* U B 135 -878.856 -0.417 165.983 1.00853.92 C ATOM 2895 N1 U B 135 -879.318 -1.547 165.163 1.00853.92 N ATOM 2896 C2 U B 135 -879.864 -2.636 165.812 1.00853.92 C ATOM 2897 O2 U B 135 -879.998 -2.690 167.024 1.00853.92 O ATOM 2898 N3 U B 135 -880.253 -3.665 164.989 1.00853.92 N ATOM 2899 C4 U B 135 -880.155 -3.709 163.612 1.00853.92 C ATOM 2900 O4 U B 135 -880.530 -4.716 163.009 1.00853.92 O ATOM 2901 C5 U B 135 -879.585 -2.539 163.017 1.00853.92 C ATOM 2902 C6 U B 135 -879.199 -1.524 163.794 1.00853.92 C ATOM 2903 P A B 136 -873.999 0.279 165.173 1.00853.92 P ATOM 2904 O1P A B 136 -873.028 1.316 165.611 1.00853.92 O ATOM 2905 O2P A B 136 -874.394 0.204 163.742 1.00853.92 O ATOM 2906 O5* A B 136 -873.435 -1.148 165.600 1.00853.92 O ATOM 2907 C5* A B 136 -872.720 -1.967 164.676 1.00853.92 C ATOM 2908 C4* A B 136 -871.929 -3.009 165.427 1.00853.92 C ATOM 2909 O4* A B 136 -872.784 -3.624 166.426 1.00853.92 O ATOM 2910 C3* A B 136 -871.416 -4.175 164.604 1.00853.92 C ATOM 2911 O3* A B 136 -870.190 -3.858 163.955 1.00853.92 O ATOM 2912 C2* A B 136 -871.276 -5.287 165.634 1.00853.92 C ATOM 2913 O2* A B 136 -870.064 -5.210 166.360 1.00853.92 O ATOM 2914 C1* A B 136 -872.452 -4.991 166.569 1.00853.92 C ATOM 2915 N9 A B 136 -873.651 -5.765 166.241 1.00853.92 N ATOM 2916 C8 A B 136 -874.313 -5.784 165.038 1.00853.92 C ATOM 2917 N7 A B 136 -875.363 -6.564 165.022 1.00853.92 N ATOM 2918 C5 A B 136 -875.400 -7.098 166.303 1.00853.92 C ATOM 2919 C6 A B 136 -876.277 -8.002 166.923 1.00853.92 C ATOM 2920 N6 A B 136 -877.331 -8.548 166.314 1.00853.92 N ATOM 2921 N1 A B 136 -876.031 -8.329 168.211 1.00853.92 N ATOM 2922 C2 A B 136 -874.976 -7.780 168.822 1.00853.92 C ATOM 2923 N3 A B 136 -874.077 -6.920 168.344 1.00853.92 N ATOM 2924 C4 A B 136 -874.350 -6.614 167.065 1.00853.92 C ATOM 2925 P A B 137 -869.630 -4.823 162.796 1.00853.92 P ATOM 2926 O1P A B 137 -868.908 -5.944 163.451 1.00853.92 O ATOM 2927 O2P A B 137 -868.926 -3.979 161.798 1.00853.92 O ATOM 2928 O5* A B 137 -870.943 -5.411 162.113 1.00853.92 O ATOM 2929 C5* A B 137 -870.975 -5.716 160.720 1.00853.92 C ATOM 2930 C4* A B 137 -872.033 -6.760 160.447 1.00853.92 C ATOM 2931 O4* A B 137 -873.270 -6.354 161.086 1.00853.92 O ATOM 2932 C3* A B 137 -872.418 -6.990 158.996 1.00853.92 C ATOM 2933 O3* A B 137 -871.522 -7.863 158.313 1.00853.92 O ATOM 2934 C2* A B 137 -873.825 -7.557 159.105 1.00853.92 C ATOM 2935 O2* A B 137 -873.837 -8.950 159.363 1.00853.92 O ATOM 2936 C1* A B 137 -874.373 -6.808 160.321 1.00853.92 C ATOM 2937 N9 A B 137 -875.174 -5.638 159.960 1.00853.92 N ATOM 2938 C8 A B 137 -874.731 -4.464 159.403 1.00853.92 C ATOM 2939 N7 A B 137 -875.682 -3.587 159.195 1.00853.92 N ATOM 2940 C5 A B 137 -876.829 -4.226 159.650 1.00853.92 C ATOM 2941 C6 A B 137 -878.173 -3.822 159.704 1.00853.92 C ATOM 2942 N6 A B 137 -878.607 -2.629 159.288 1.00853.92 N ATOM 2943 N1 A B 137 -879.068 -4.695 160.212 1.00853.92 N ATOM 2944 C2 A B 137 -878.632 -5.887 160.632 1.00853.92 C ATOM 2945 N3 A B 137 -877.396 -6.381 160.634 1.00853.92 N ATOM 2946 C4 A B 137 -876.532 -5.489 160.122 1.00853.92 C ATOM 2947 P G B 138 -871.454 -7.840 156.706 1.00853.92 P ATOM 2948 O1P G B 138 -870.736 -9.067 156.278 1.00853.92 O ATOM 2949 O2P G B 138 -870.954 -6.509 156.276 1.00853.92 O ATOM 2950 O5* G B 138 -872.973 -7.973 156.253 1.00853.92 O ATOM 2951 C5* G B 138 -873.387 -7.542 154.959 1.00853.92 C ATOM 2952 C4* G B 138 -874.377 -6.407 155.078 1.00853.92 C ATOM 2953 O4* G B 138 -873.895 -5.445 156.054 1.00853.92 O ATOM 2954 C3* G B 138 -874.586 -5.612 153.823 1.00853.92 C ATOM 2955 O3* G B 138 -875.566 -6.226 152.997 1.00853.92 O ATOM 2956 C2* G B 138 -875.016 -4.244 154.337 1.00853.92 C ATOM 2957 O2* G B 138 -876.395 -4.183 154.640 1.00853.92 O ATOM 2958 C1* G B 138 -874.193 -4.129 155.621 1.00853.92 C ATOM 2959 N9 G B 138 -872.933 -3.440 155.363 1.00853.92 N ATOM 2960 C8 G B 138 -872.053 -3.696 154.339 1.00853.92 C ATOM 2961 N7 G B 138 -871.031 -2.886 154.326 1.00853.92 N ATOM 2962 C5 G B 138 -871.242 -2.047 155.412 1.00853.92 C ATOM 2963 C6 G B 138 -870.472 -0.960 155.897 1.00853.92 C ATOM 2964 O6 G B 138 -869.422 -0.499 155.441 1.00853.92 O ATOM 2965 N1 G B 138 -871.047 -0.392 157.028 1.00853.92 N ATOM 2966 C2 G B 138 -872.214 -0.808 157.617 1.00853.92 C ATOM 2967 N2 G B 138 -872.597 -0.125 158.705 1.00853.92 N ATOM 2968 N3 G B 138 -872.949 -1.814 157.169 1.00853.92 N ATOM 2969 C4 G B 138 -872.408 -2.387 156.071 1.00853.92 C ATOM 2970 P A B 139 -875.570 -5.916 151.420 1.00853.92 P ATOM 2971 O1P A B 139 -876.448 -6.914 150.762 1.00853.92 O ATOM 2972 O2P A B 139 -874.162 -5.763 150.973 1.00853.92 O ATOM 2973 O5* A B 139 -876.275 -4.488 151.324 1.00853.92 O ATOM 2974 C5* A B 139 -876.150 -3.698 150.147 1.00853.92 C ATOM 2975 C4* A B 139 -876.776 -2.342 150.358 1.00853.92 C ATOM 2976 O4* A B 139 -876.528 -1.877 151.711 1.00853.92 O ATOM 2977 C3* A B 139 -876.277 -1.234 149.453 1.00853.92 C ATOM 2978 O3* A B 139 -876.977 -1.243 148.217 1.00853.92 O ATOM 2979 C2* A B 139 -876.541 0.024 150.275 1.00853.92 C ATOM 2980 O2* A B 139 -877.871 0.485 150.157 1.00853.92 O ATOM 2981 C1* A B 139 -876.293 -0.479 151.699 1.00853.92 C ATOM 2982 N9 A B 139 -874.917 -0.240 152.131 1.00853.92 N ATOM 2983 C8 A B 139 -874.073 -1.103 152.783 1.00853.92 C ATOM 2984 N7 A B 139 -872.882 -0.607 153.015 1.00853.92 N ATOM 2985 C5 A B 139 -872.947 0.674 152.481 1.00853.92 C ATOM 2986 C6 A B 139 -872.005 1.715 152.400 1.00853.92 C ATOM 2987 N6 A B 139 -870.760 1.628 152.876 1.00853.92 N ATOM 2988 N1 A B 139 -872.390 2.867 151.806 1.00853.92 N ATOM 2989 C2 A B 139 -873.637 2.953 151.326 1.00853.92 C ATOM 2990 N3 A B 139 -874.611 2.044 151.341 1.00853.92 N ATOM 2991 C4 A B 139 -874.195 0.916 151.937 1.00853.92 C ATOM 2992 P G B 140 -876.252 -0.686 146.899 1.00853.92 P ATOM 2993 O1P G B 140 -877.010 -1.178 145.719 1.00853.92 O ATOM 2994 O2P G B 140 -874.799 -0.975 147.010 1.00853.92 O ATOM 2995 O5* G B 140 -876.453 0.887 147.007 1.00853.92 O ATOM 2996 C5* G B 140 -876.710 1.671 145.844 1.00853.92 C ATOM 2997 C4* G B 140 -876.013 2.998 145.952 1.00853.92 C ATOM 2998 O4* G B 140 -875.429 3.151 147.273 1.00853.92 O ATOM 2999 C3* G B 140 -874.865 3.213 144.968 1.00853.92 C ATOM 3000 O3* G B 140 -875.328 3.720 143.724 1.00853.92 O ATOM 3001 C2* G B 140 -873.935 4.160 145.718 1.00853.92 C ATOM 3002 O2* G B 140 -874.329 5.514 145.602 1.00853.92 O ATOM 3003 C1* G B 140 -874.121 3.685 147.160 1.00853.92 C ATOM 3004 N9 G B 140 -873.177 2.628 147.513 1.00853.92 N ATOM 3005 C8 G B 140 -873.463 1.470 148.194 1.00853.92 C ATOM 3006 N7 G B 140 -872.423 0.699 148.352 1.00853.92 N ATOM 3007 C5 G B 140 -871.386 1.390 147.742 1.00853.92 C ATOM 3008 C6 G B 140 -870.018 1.045 147.589 1.00853.92 C ATOM 3009 O6 G B 140 -869.429 0.029 147.976 1.00853.92 O ATOM 3010 N1 G B 140 -869.316 2.032 146.901 1.00853.92 N ATOM 3011 C2 G B 140 -869.861 3.196 146.423 1.00853.92 C ATOM 3012 N2 G B 140 -869.015 4.021 145.788 1.00853.92 N ATOM 3013 N3 G B 140 -871.135 3.530 146.558 1.00853.92 N ATOM 3014 C4 G B 140 -871.835 2.587 147.222 1.00853.92 C ATOM 3015 P G B 141 -875.014 2.908 142.377 1.00853.92 P ATOM 3016 O1P G B 141 -875.571 3.676 141.237 1.00853.92 O ATOM 3017 O2P G B 141 -875.431 1.495 142.582 1.00853.92 O ATOM 3018 O5* G B 141 -873.423 2.947 142.288 1.00853.92 O ATOM 3019 C5* G B 141 -872.746 2.226 141.269 1.00853.92 C ATOM 3020 C4* G B 141 -871.271 2.540 141.296 1.00853.92 C ATOM 3021 O4* G B 141 -870.750 2.426 142.647 1.00853.92 O ATOM 3022 C3* G B 141 -870.359 1.671 140.460 1.00853.92 C ATOM 3023 O3* G B 141 -870.373 2.076 139.097 1.00853.92 O ATOM 3024 C2* G B 141 -868.997 1.876 141.122 1.00853.92 C ATOM 3025 O2* G B 141 -868.339 3.041 140.667 1.00853.92 O ATOM 3026 C1* G B 141 -869.384 2.051 142.594 1.00853.92 C ATOM 3027 N9 G B 141 -869.204 0.836 143.386 1.00853.92 N ATOM 3028 C8 G B 141 -869.935 -0.323 143.311 1.00853.92 C ATOM 3029 N7 G B 141 -869.544 -1.234 144.160 1.00853.92 N ATOM 3030 C5 G B 141 -868.488 -0.637 144.837 1.00853.92 C ATOM 3031 C6 G B 141 -867.661 -1.141 145.881 1.00853.92 C ATOM 3032 O6 G B 141 -867.701 -2.247 146.432 1.00853.92 O ATOM 3033 N1 G B 141 -866.711 -0.203 146.272 1.00853.92 N ATOM 3034 C2 G B 141 -866.569 1.051 145.738 1.00853.92 C ATOM 3035 N2 G B 141 -865.589 1.808 146.252 1.00853.92 N ATOM 3036 N3 G B 141 -867.334 1.533 144.773 1.00853.92 N ATOM 3037 C4 G B 141 -868.266 0.639 144.373 1.00853.92 C ATOM 3038 P U B 142 -869.629 1.173 137.998 1.00853.92 P ATOM 3039 O1P U B 142 -870.461 1.184 136.769 1.00853.92 O ATOM 3040 O2P U B 142 -869.263 -0.123 138.622 1.00853.92 O ATOM 3041 O5* U B 142 -868.288 1.979 137.702 1.00853.92 O ATOM 3042 C5* U B 142 -867.160 1.325 137.120 1.00853.92 C ATOM 3043 C4* U B 142 -865.883 1.893 137.690 1.00853.92 C ATOM 3044 O4* U B 142 -866.078 2.214 139.091 1.00853.92 O ATOM 3045 C3* U B 142 -864.646 1.005 137.623 1.00853.92 C ATOM 3046 O3* U B 142 -863.927 1.240 136.420 1.00853.92 O ATOM 3047 C2* U B 142 -863.855 1.396 138.864 1.00853.92 C ATOM 3048 O2* U B 142 -863.036 2.531 138.650 1.00853.92 O ATOM 3049 C1* U B 142 -864.972 1.751 139.846 1.00853.92 C ATOM 3050 N1 U B 142 -865.414 0.593 140.632 1.00853.92 N ATOM 3051 C2 U B 142 -864.724 0.303 141.791 1.00853.92 C ATOM 3052 O2 U B 142 -863.778 0.969 142.182 1.00853.92 O ATOM 3053 N3 U B 142 -865.178 -0.798 142.476 1.00853.92 N ATOM 3054 C4 U B 142 -866.235 -1.617 142.124 1.00853.92 C ATOM 3055 O4 U B 142 -866.523 -2.580 142.835 1.00853.92 O ATOM 3056 C5 U B 142 -866.899 -1.245 140.914 1.00853.92 C ATOM 3057 C6 U B 142 -866.475 -0.182 140.226 1.00853.92 C ATOM 3058 P A B 143 -862.675 0.304 136.053 1.00853.92 P ATOM 3059 O1P A B 143 -863.214 -0.950 135.468 1.00853.92 O ATOM 3060 O2P A B 143 -861.785 0.234 137.240 1.00853.92 O ATOM 3061 O5* A B 143 -861.916 1.106 134.904 1.00853.92 O ATOM 3062 C5* A B 143 -860.874 0.495 134.153 1.00853.92 C ATOM 3063 C4* A B 143 -861.183 0.572 132.677 1.00853.92 C ATOM 3064 O4* A B 143 -862.538 0.110 132.450 1.00853.92 O ATOM 3065 C3* A B 143 -861.122 1.952 132.051 1.00853.92 C ATOM 3066 O3* A B 143 -859.800 2.271 131.629 1.00853.92 O ATOM 3067 C2* A B 143 -862.084 1.838 130.877 1.00853.92 C ATOM 3068 O2* A B 143 -861.489 1.245 129.739 1.00853.92 O ATOM 3069 C1* A B 143 -863.147 0.897 131.442 1.00853.92 C ATOM 3070 N9 A B 143 -864.259 1.629 132.050 1.00853.92 N ATOM 3071 C8 A B 143 -864.517 1.823 133.384 1.00853.92 C ATOM 3072 N7 A B 143 -865.589 2.539 133.617 1.00853.92 N ATOM 3073 C5 A B 143 -866.071 2.837 132.350 1.00853.92 C ATOM 3074 C6 A B 143 -867.187 3.570 131.913 1.00853.92 C ATOM 3075 N6 A B 143 -868.055 4.162 132.734 1.00853.92 N ATOM 3076 N1 A B 143 -867.387 3.674 130.579 1.00853.92 N ATOM 3077 C2 A B 143 -866.515 3.078 129.755 1.00853.92 C ATOM 3078 N3 A B 143 -865.432 2.365 130.046 1.00853.92 N ATOM 3079 C4 A B 143 -865.265 2.277 131.377 1.00853.92 C ATOM 3080 P U B 144 -859.453 3.767 131.150 1.00853.92 P ATOM 3081 O1P U B 144 -858.013 3.991 131.438 1.00853.92 O ATOM 3082 O2P U B 144 -860.469 4.685 131.725 1.00853.92 O ATOM 3083 O5* U B 144 -859.642 3.735 129.567 1.00853.92 O ATOM 3084 C5* U B 144 -858.580 3.312 128.716 1.00853.92 C ATOM 3085 C4* U B 144 -859.001 3.353 127.261 1.00853.92 C ATOM 3086 O4* U B 144 -860.289 2.699 127.120 1.00853.92 O ATOM 3087 C3* U B 144 -859.197 4.732 126.641 1.00853.92 C ATOM 3088 O3* U B 144 -857.986 5.291 126.141 1.00853.92 O ATOM 3089 C2* U B 144 -860.164 4.444 125.502 1.00853.92 C ATOM 3090 O2* U B 144 -859.512 3.949 124.348 1.00853.92 O ATOM 3091 C1* U B 144 -861.041 3.345 126.103 1.00853.92 C ATOM 3092 N1 U B 144 -862.265 3.901 126.694 1.00853.92 N ATOM 3093 C2 U B 144 -863.316 4.175 125.836 1.00853.92 C ATOM 3094 O2 U B 144 -863.267 3.935 124.642 1.00853.92 O ATOM 3095 N3 U B 144 -864.421 4.734 126.427 1.00853.92 N ATOM 3096 C4 U B 144 -864.581 5.039 127.763 1.00853.92 C ATOM 3097 O4 U B 144 -865.625 5.576 128.137 1.00853.92 O ATOM 3098 C5 U B 144 -863.459 4.709 128.591 1.00853.92 C ATOM 3099 C6 U B 144 -862.364 4.163 128.043 1.00853.92 C ATOM 3100 P C B 145 -857.854 6.889 125.977 1.00853.92 P ATOM 3101 O1P C B 145 -856.447 7.186 125.621 1.00853.92 O ATOM 3102 O2P C B 145 -858.460 7.524 127.175 1.00853.92 O ATOM 3103 O5* C B 145 -858.770 7.242 124.717 1.00853.92 O ATOM 3104 C5* C B 145 -858.246 7.191 123.390 1.00853.92 C ATOM 3105 C4* C B 145 -859.360 7.346 122.371 1.00853.92 C ATOM 3106 O4* C B 145 -860.477 6.510 122.773 1.00853.92 O ATOM 3107 C3* C B 145 -859.946 8.736 122.182 1.00853.92 C ATOM 3108 O3* C B 145 -859.207 9.449 121.193 1.00853.92 O ATOM 3109 C2* C B 145 -861.363 8.446 121.702 1.00853.92 C ATOM 3110 O2* C B 145 -861.424 8.198 120.312 1.00853.92 O ATOM 3111 C1* C B 145 -861.698 7.159 122.459 1.00853.92 C ATOM 3112 N1 C B 145 -862.422 7.408 123.713 1.00853.92 N ATOM 3113 C2 C B 145 -863.815 7.545 123.673 1.00853.92 C ATOM 3114 O2 C B 145 -864.398 7.442 122.584 1.00853.92 O ATOM 3115 N3 C B 145 -864.489 7.790 124.822 1.00853.92 N ATOM 3116 C4 C B 145 -863.825 7.893 125.975 1.00853.92 C ATOM 3117 N4 C B 145 -864.528 8.135 127.083 1.00853.92 N ATOM 3118 C5 C B 145 -862.407 7.754 126.046 1.00853.92 C ATOM 3119 C6 C B 145 -861.754 7.514 124.901 1.00853.92 C ATOM 3120 P C B 146 -858.756 10.972 121.473 1.00853.92 P ATOM 3121 O1P C B 146 -857.625 11.261 120.554 1.00853.92 O ATOM 3122 O2P C B 146 -858.573 11.138 122.935 1.00853.92 O ATOM 3123 O5* C B 146 -859.998 11.862 121.015 1.00853.92 O ATOM 3124 C5* C B 146 -860.228 12.148 119.636 1.00853.92 C ATOM 3125 C4* C B 146 -861.586 12.794 119.444 1.00853.92 C ATOM 3126 O4* C B 146 -862.579 12.013 120.155 1.00853.92 O ATOM 3127 C3* C B 146 -861.792 14.247 119.914 1.00853.92 C ATOM 3128 O3* C B 146 -861.427 15.185 118.905 1.00853.92 O ATOM 3129 C2* C B 146 -863.289 14.287 120.197 1.00853.92 C ATOM 3130 O2* C B 146 -864.058 14.506 119.031 1.00853.92 O ATOM 3131 C1* C B 146 -863.550 12.874 120.722 1.00853.92 C ATOM 3132 N1 C B 146 -863.445 12.779 122.187 1.00853.92 N ATOM 3133 C2 C B 146 -864.287 13.564 122.982 1.00853.92 C ATOM 3134 O2 C B 146 -865.112 14.313 122.430 1.00853.92 O ATOM 3135 N3 C B 146 -864.184 13.488 124.328 1.00853.92 N ATOM 3136 C4 C B 146 -863.290 12.669 124.885 1.00853.92 C ATOM 3137 N4 C B 146 -863.221 12.631 126.215 1.00853.92 N ATOM 3138 C5 C B 146 -862.424 11.854 124.098 1.00853.92 C ATOM 3139 C6 C B 146 -862.535 11.939 122.769 1.00853.92 C ATOM 3140 P G B 147 -861.015 16.687 119.318 1.00853.92 P ATOM 3141 O1P G B 147 -860.853 17.471 118.067 1.00853.92 O ATOM 3142 O2P G B 147 -859.891 16.607 120.282 1.00853.92 O ATOM 3143 O5* G B 147 -862.285 17.254 120.097 1.00853.92 O ATOM 3144 C5* G B 147 -862.146 18.074 121.256 1.00853.92 C ATOM 3145 C4* G B 147 -863.031 19.288 121.127 1.00853.92 C ATOM 3146 O4* G B 147 -864.409 18.839 121.022 1.00853.92 O ATOM 3147 C3* G B 147 -863.058 20.204 122.329 1.00853.92 C ATOM 3148 O3* G B 147 -861.956 21.101 122.384 1.00853.92 O ATOM 3149 C2* G B 147 -864.404 20.904 122.196 1.00853.92 C ATOM 3150 O2* G B 147 -864.367 21.987 121.289 1.00853.92 O ATOM 3151 C1* G B 147 -865.271 19.777 121.638 1.00853.92 C ATOM 3152 N9 G B 147 -865.987 19.071 122.694 1.00853.92 N ATOM 3153 C8 G B 147 -866.567 17.827 122.596 1.00853.92 C ATOM 3154 N7 G B 147 -867.127 17.434 123.707 1.00853.92 N ATOM 3155 C5 G B 147 -866.907 18.477 124.591 1.00853.92 C ATOM 3156 C6 G B 147 -867.282 18.619 125.949 1.00853.92 C ATOM 3157 O6 G B 147 -867.907 17.825 126.662 1.00853.92 O ATOM 3158 N1 G B 147 -866.856 19.836 126.472 1.00853.92 N ATOM 3159 C2 G B 147 -866.159 20.793 125.777 1.00853.92 C ATOM 3160 N2 G B 147 -865.837 21.899 126.459 1.00853.92 N ATOM 3161 N3 G B 147 -865.801 20.672 124.508 1.00853.92 N ATOM 3162 C4 G B 147 -866.205 19.500 123.981 1.00853.92 C ATOM 3163 P C B 148 -861.714 21.986 123.707 1.00853.92 P ATOM 3164 O1P C B 148 -862.715 23.081 123.709 1.00853.92 O ATOM 3165 O2P C B 148 -860.267 22.308 123.789 1.00853.92 O ATOM 3166 O5* C B 148 -862.063 20.984 124.897 1.00853.92 O ATOM 3167 C5* C B 148 -861.239 20.903 126.057 1.00853.92 C ATOM 3168 C4* C B 148 -861.768 19.840 126.988 1.00853.92 C ATOM 3169 O4* C B 148 -862.120 18.661 126.220 1.00853.92 O ATOM 3170 C3* C B 148 -860.813 19.340 128.065 1.00853.92 C ATOM 3171 O3* C B 148 -860.822 20.176 129.219 1.00853.92 O ATOM 3172 C2* C B 148 -861.331 17.934 128.347 1.00853.92 C ATOM 3173 O2* C B 148 -862.420 17.921 129.248 1.00853.92 O ATOM 3174 C1* C B 148 -861.822 17.495 126.966 1.00853.92 C ATOM 3175 N1 C B 148 -860.824 16.716 126.211 1.00853.92 N ATOM 3176 C2 C B 148 -860.588 15.386 126.573 1.00853.92 C ATOM 3177 O2 C B 148 -861.228 14.898 127.517 1.00853.92 O ATOM 3178 N3 C B 148 -859.673 14.665 125.882 1.00853.92 N ATOM 3179 C4 C B 148 -859.008 15.227 124.871 1.00853.92 C ATOM 3180 N4 C B 148 -858.112 14.482 124.220 1.00853.92 N ATOM 3181 C5 C B 148 -859.229 16.580 124.483 1.00853.92 C ATOM 3182 C6 C B 148 -860.138 17.280 125.173 1.00853.92 C ATOM 3183 P A B 149 -859.799 19.891 130.423 1.00853.92 P ATOM 3184 O1P A B 149 -859.956 20.984 131.413 1.00853.92 O ATOM 3185 O2P A B 149 -858.456 19.608 129.850 1.00853.92 O ATOM 3186 O5* A B 149 -860.363 18.551 131.070 1.00853.92 O ATOM 3187 C5* A B 149 -860.118 18.232 132.434 1.00853.92 C ATOM 3188 C4* A B 149 -861.396 18.349 133.231 1.00853.92 C ATOM 3189 O4* A B 149 -861.857 19.724 133.217 1.00853.92 O ATOM 3190 C3* A B 149 -862.544 17.511 132.712 1.00853.92 C ATOM 3191 O3* A B 149 -862.496 16.258 133.388 1.00853.92 O ATOM 3192 C2* A B 149 -863.782 18.321 133.083 1.00853.92 C ATOM 3193 O2* A B 149 -864.225 18.062 134.401 1.00853.92 O ATOM 3194 C1* A B 149 -863.256 19.755 132.996 1.00853.92 C ATOM 3195 N9 A B 149 -863.507 20.370 131.690 1.00853.92 N ATOM 3196 C8 A B 149 -864.280 19.890 130.660 1.00853.92 C ATOM 3197 N7 A B 149 -864.319 20.682 129.615 1.00853.92 N ATOM 3198 C5 A B 149 -863.521 21.758 129.982 1.00853.92 C ATOM 3199 C6 A B 149 -863.159 22.938 129.316 1.00853.92 C ATOM 3200 N6 A B 149 -863.569 23.253 128.086 1.00853.92 N ATOM 3201 N1 A B 149 -862.345 23.803 129.963 1.00853.92 N ATOM 3202 C2 A B 149 -861.934 23.490 131.197 1.00853.92 C ATOM 3203 N3 A B 149 -862.204 22.414 131.930 1.00853.92 N ATOM 3204 C4 A B 149 -863.015 21.576 131.259 1.00853.92 C ATOM 3205 P A B 150 -863.239 14.982 132.755 1.00853.92 P ATOM 3206 O1P A B 150 -862.637 13.765 133.353 1.00853.92 O ATOM 3207 O2P A B 150 -863.252 15.141 131.277 1.00853.92 O ATOM 3208 O5* A B 150 -864.739 15.099 133.275 1.00853.92 O ATOM 3209 C5* A B 150 -865.721 14.125 132.930 1.00853.92 C ATOM 3210 C4* A B 150 -867.085 14.588 133.385 1.00853.92 C ATOM 3211 O4* A B 150 -867.337 15.904 132.831 1.00853.92 O ATOM 3212 C3* A B 150 -868.293 13.766 132.948 1.00853.92 C ATOM 3213 O3* A B 150 -868.526 12.629 133.773 1.00853.92 O ATOM 3214 C2* A B 150 -869.429 14.776 133.019 1.00853.92 C ATOM 3215 O2* A B 150 -869.941 14.925 134.326 1.00853.92 O ATOM 3216 C1* A B 150 -868.725 16.067 132.592 1.00853.92 C ATOM 3217 N9 A B 150 -868.893 16.368 131.172 1.00853.92 N ATOM 3218 C8 A B 150 -867.927 16.318 130.195 1.00853.92 C ATOM 3219 N7 A B 150 -868.362 16.638 129.005 1.00853.92 N ATOM 3220 C5 A B 150 -869.707 16.920 129.205 1.00853.92 C ATOM 3221 C6 A B 150 -870.729 17.319 128.329 1.00853.92 C ATOM 3222 N6 A B 150 -870.549 17.515 127.020 1.00853.92 N ATOM 3223 N1 A B 150 -871.961 17.516 128.849 1.00853.92 N ATOM 3224 C2 A B 150 -872.140 17.319 130.162 1.00853.92 C ATOM 3225 N3 A B 150 -871.259 16.945 131.085 1.00853.92 N ATOM 3226 C4 A B 150 -870.047 16.757 130.536 1.00853.92 C ATOM 3227 P G B 151 -869.813 11.696 133.513 1.00853.92 P ATOM 3228 O1P G B 151 -870.888 12.170 134.424 1.00853.92 O ATOM 3229 O2P G B 151 -869.376 10.278 133.566 1.00853.92 O ATOM 3230 O5* G B 151 -870.249 12.030 132.017 1.00853.92 O ATOM 3231 C5* G B 151 -871.627 12.090 131.652 1.00853.92 C ATOM 3232 C4* G B 151 -871.802 12.963 130.431 1.00853.92 C ATOM 3233 O4* G B 151 -870.555 13.649 130.164 1.00853.92 O ATOM 3234 C3* G B 151 -872.166 12.275 129.126 1.00853.92 C ATOM 3235 O3* G B 151 -873.579 12.137 129.024 1.00853.92 O ATOM 3236 C2* G B 151 -871.600 13.215 128.070 1.00853.92 C ATOM 3237 O2* G B 151 -872.468 14.292 127.779 1.00853.92 O ATOM 3238 C1* G B 151 -870.342 13.738 128.764 1.00853.92 C ATOM 3239 N9 G B 151 -869.178 12.924 128.434 1.00853.92 N ATOM 3240 C8 G B 151 -868.683 11.854 129.145 1.00853.92 C ATOM 3241 N7 G B 151 -867.648 11.296 128.577 1.00853.92 N ATOM 3242 C5 G B 151 -867.440 12.049 127.429 1.00853.92 C ATOM 3243 C6 G B 151 -866.461 11.916 126.410 1.00853.92 C ATOM 3244 O6 G B 151 -865.556 11.080 126.311 1.00853.92 O ATOM 3245 N1 G B 151 -866.606 12.896 125.432 1.00853.92 N ATOM 3246 C2 G B 151 -867.571 13.873 125.429 1.00853.92 C ATOM 3247 N2 G B 151 -867.541 14.728 124.396 1.00853.92 N ATOM 3248 N3 G B 151 -868.494 14.002 126.368 1.00853.92 N ATOM 3249 C4 G B 151 -868.367 13.062 127.331 1.00853.92 C ATOM 3250 P G B 152 -874.199 11.058 128.006 1.00853.92 P ATOM 3251 O1P G B 152 -875.657 11.327 127.906 1.00853.92 O ATOM 3252 O2P G B 152 -873.729 9.710 128.415 1.00853.92 O ATOM 3253 O5* G B 152 -873.537 11.408 126.597 1.00853.92 O ATOM 3254 C5* G B 152 -874.318 11.947 125.533 1.00853.92 C ATOM 3255 C4* G B 152 -873.568 11.838 124.224 1.00853.92 C ATOM 3256 O4* G B 152 -872.202 12.290 124.416 1.00853.92 O ATOM 3257 C3* G B 152 -873.445 10.425 123.649 1.00853.92 C ATOM 3258 O3* G B 152 -874.561 10.045 122.854 1.00853.92 O ATOM 3259 C2* G B 152 -872.161 10.513 122.833 1.00853.92 C ATOM 3260 O2* G B 152 -872.366 11.082 121.556 1.00853.92 O ATOM 3261 C1* G B 152 -871.314 11.463 123.685 1.00853.92 C ATOM 3262 N9 G B 152 -870.487 10.734 124.640 1.00853.92 N ATOM 3263 C8 G B 152 -870.744 10.545 125.975 1.00853.92 C ATOM 3264 N7 G B 152 -869.834 9.829 126.579 1.00853.92 N ATOM 3265 C5 G B 152 -868.917 9.530 125.584 1.00853.92 C ATOM 3266 C6 G B 152 -867.716 8.774 125.637 1.00853.92 C ATOM 3267 O6 G B 152 -867.210 8.201 126.608 1.00853.92 O ATOM 3268 N1 G B 152 -867.091 8.719 124.397 1.00853.92 N ATOM 3269 C2 G B 152 -867.556 9.312 123.248 1.00853.92 C ATOM 3270 N2 G B 152 -866.802 9.142 122.154 1.00853.92 N ATOM 3271 N3 G B 152 -868.676 10.017 123.182 1.00853.92 N ATOM 3272 C4 G B 152 -869.299 10.083 124.378 1.00853.92 C ATOM 3273 P A B 153 -874.912 8.484 122.669 1.00853.92 P ATOM 3274 O1P A B 153 -876.005 8.392 121.666 1.00853.92 O ATOM 3275 O2P A B 153 -875.102 7.887 124.016 1.00853.92 O ATOM 3276 O5* A B 153 -873.595 7.859 122.022 1.00853.92 O ATOM 3277 C5* A B 153 -873.378 7.924 120.615 1.00853.92 C ATOM 3278 C4* A B 153 -871.963 7.502 120.274 1.00853.92 C ATOM 3279 O4* A B 153 -871.053 7.948 121.311 1.00853.92 O ATOM 3280 C3* A B 153 -871.648 6.021 120.103 1.00853.92 C ATOM 3281 O3* A B 153 -872.000 5.551 118.802 1.00853.92 O ATOM 3282 C2* A B 153 -870.136 5.980 120.322 1.00853.92 C ATOM 3283 O2* A B 153 -869.412 6.306 119.152 1.00853.92 O ATOM 3284 C1* A B 153 -869.931 7.085 121.361 1.00853.92 C ATOM 3285 N9 A B 153 -869.774 6.587 122.730 1.00853.92 N ATOM 3286 C8 A B 153 -870.713 6.531 123.729 1.00853.92 C ATOM 3287 N7 A B 153 -870.256 6.035 124.855 1.00853.92 N ATOM 3288 C5 A B 153 -868.928 5.746 124.582 1.00853.92 C ATOM 3289 C6 A B 153 -867.891 5.198 125.364 1.00853.92 C ATOM 3290 N6 A B 153 -868.043 4.832 126.642 1.00853.92 N ATOM 3291 N1 A B 153 -866.680 5.037 124.787 1.00853.92 N ATOM 3292 C2 A B 153 -866.531 5.406 123.507 1.00853.92 C ATOM 3293 N3 A B 153 -867.425 5.934 122.669 1.00853.92 N ATOM 3294 C4 A B 153 -868.617 6.080 123.276 1.00853.92 C ATOM 3295 P U B 154 -872.373 4.000 118.585 1.00853.92 P ATOM 3296 O1P U B 154 -872.797 3.845 117.169 1.00853.92 O ATOM 3297 O2P U B 154 -873.287 3.582 119.675 1.00853.92 O ATOM 3298 O5* U B 154 -870.991 3.230 118.771 1.00853.92 O ATOM 3299 C5* U B 154 -870.258 2.741 117.648 1.00853.92 C ATOM 3300 C4* U B 154 -869.046 1.974 118.122 1.00853.92 C ATOM 3301 O4* U B 154 -868.513 2.650 119.295 1.00853.92 O ATOM 3302 C3* U B 154 -869.186 0.542 118.598 1.00853.92 C ATOM 3303 O3* U B 154 -869.221 -0.355 117.493 1.00853.92 O ATOM 3304 C2* U B 154 -867.949 0.352 119.458 1.00853.92 C ATOM 3305 O2* U B 154 -866.788 0.079 118.696 1.00853.92 O ATOM 3306 C1* U B 154 -867.836 1.720 120.124 1.00853.92 C ATOM 3307 N1 U B 154 -868.506 1.732 121.432 1.00853.92 N ATOM 3308 C2 U B 154 -867.798 1.302 122.538 1.00853.92 C ATOM 3309 O2 U B 154 -866.637 0.931 122.481 1.00853.92 O ATOM 3310 N3 U B 154 -868.499 1.311 123.714 1.00853.92 N ATOM 3311 C4 U B 154 -869.807 1.711 123.898 1.00853.92 C ATOM 3312 O4 U B 154 -870.301 1.656 125.026 1.00853.92 O ATOM 3313 C5 U B 154 -870.468 2.155 122.714 1.00853.92 C ATOM 3314 C6 U B 154 -869.811 2.153 121.550 1.00853.92 C ATOM 3315 P G B 155 -869.153 -1.931 117.776 1.00853.92 P ATOM 3316 O1P G B 155 -867.724 -2.325 117.875 1.00853.92 O ATOM 3317 O2P G B 155 -870.043 -2.629 116.814 1.00853.92 O ATOM 3318 O5* G B 155 -869.811 -2.053 119.221 1.00853.92 O ATOM 3319 C5* G B 155 -869.303 -2.944 120.201 1.00853.92 C ATOM 3320 C4* G B 155 -870.273 -4.078 120.403 1.00853.92 C ATOM 3321 O4* G B 155 -871.557 -3.520 120.788 1.00853.92 O ATOM 3322 C3* G B 155 -870.570 -4.919 119.177 1.00853.92 C ATOM 3323 O3* G B 155 -869.608 -5.953 119.018 1.00853.92 O ATOM 3324 C2* G B 155 -871.969 -5.451 119.454 1.00853.92 C ATOM 3325 O2* G B 155 -871.963 -6.601 120.278 1.00853.92 O ATOM 3326 C1* G B 155 -872.604 -4.283 120.208 1.00853.92 C ATOM 3327 N9 G B 155 -873.386 -3.416 119.333 1.00853.92 N ATOM 3328 C8 G B 155 -873.007 -2.858 118.137 1.00853.92 C ATOM 3329 N7 G B 155 -873.948 -2.138 117.582 1.00853.92 N ATOM 3330 C5 G B 155 -875.012 -2.228 118.472 1.00853.92 C ATOM 3331 C6 G B 155 -876.315 -1.657 118.418 1.00853.92 C ATOM 3332 O6 G B 155 -876.812 -0.935 117.545 1.00853.92 O ATOM 3333 N1 G B 155 -877.070 -2.005 119.533 1.00853.92 N ATOM 3334 C2 G B 155 -876.636 -2.799 120.565 1.00853.92 C ATOM 3335 N2 G B 155 -877.505 -3.022 121.557 1.00853.92 N ATOM 3336 N3 G B 155 -875.431 -3.334 120.626 1.00853.92 N ATOM 3337 C4 G B 155 -874.676 -3.008 119.556 1.00853.92 C ATOM 3338 P G B 156 -869.255 -6.489 117.548 1.00853.92 P ATOM 3339 O1P G B 156 -868.050 -7.348 117.665 1.00853.92 O ATOM 3340 O2P G B 156 -869.241 -5.333 116.614 1.00853.92 O ATOM 3341 O5* G B 156 -870.492 -7.418 117.179 1.00853.92 O ATOM 3342 C5* G B 156 -870.686 -8.664 117.840 1.00853.92 C ATOM 3343 C4* G B 156 -872.086 -9.171 117.610 1.00853.92 C ATOM 3344 O4* G B 156 -873.063 -8.253 118.162 1.00853.92 O ATOM 3345 C3* G B 156 -872.504 -9.366 116.165 1.00853.92 C ATOM 3346 O3* G B 156 -872.046 -10.606 115.653 1.00853.92 O ATOM 3347 C2* G B 156 -874.026 -9.297 116.244 1.00853.92 C ATOM 3348 O2* G B 156 -874.609 -10.532 116.608 1.00853.92 O ATOM 3349 C1* G B 156 -874.234 -8.275 117.364 1.00853.92 C ATOM 3350 N9 G B 156 -874.479 -6.933 116.845 1.00853.92 N ATOM 3351 C8 G B 156 -873.545 -6.030 116.394 1.00853.92 C ATOM 3352 N7 G B 156 -874.079 -4.913 115.974 1.00853.92 N ATOM 3353 C5 G B 156 -875.443 -5.089 116.164 1.00853.92 C ATOM 3354 C6 G B 156 -876.532 -4.216 115.893 1.00853.92 C ATOM 3355 O6 G B 156 -876.509 -3.075 115.414 1.00853.92 O ATOM 3356 N1 G B 156 -877.750 -4.799 116.241 1.00853.92 N ATOM 3357 C2 G B 156 -877.899 -6.056 116.777 1.00853.92 C ATOM 3358 N2 G B 156 -879.152 -6.441 117.043 1.00853.92 N ATOM 3359 N3 G B 156 -876.894 -6.873 117.033 1.00853.92 N ATOM 3360 C4 G B 156 -875.703 -6.329 116.704 1.00853.92 C ATOM 3361 P G B 157 -871.416 -9.656 113.441 1.00855.43 P ATOM 3362 O1P G B 157 -870.222 -10.500 113.226 1.00855.43 O ATOM 3363 O2P G B 157 -871.494 -8.313 112.805 1.00855.43 O ATOM 3364 O5* G B 157 -872.704 -10.483 113.010 1.00855.43 O ATOM 3365 C5* G B 157 -873.164 -10.477 111.664 1.00855.43 C ATOM 3366 C4* G B 157 -874.670 -10.388 111.630 1.00855.43 C ATOM 3367 O4* G B 157 -875.130 -9.499 112.684 1.00855.43 O ATOM 3368 C3* G B 157 -875.258 -9.822 110.343 1.00855.43 C ATOM 3369 O3* G B 157 -875.422 -10.797 109.322 1.00855.43 O ATOM 3370 C2* G B 157 -876.578 -9.224 110.810 1.00855.43 C ATOM 3371 O2* G B 157 -877.612 -10.184 110.895 1.00855.43 O ATOM 3372 C1* G B 157 -876.222 -8.727 112.213 1.00855.43 C ATOM 3373 N9 G B 157 -875.822 -7.322 112.228 1.00855.43 N ATOM 3374 C8 G B 157 -874.622 -6.809 112.661 1.00855.43 C ATOM 3375 N7 G B 157 -874.550 -5.511 112.544 1.00855.43 N ATOM 3376 C5 G B 157 -875.774 -5.144 112.007 1.00855.43 C ATOM 3377 C6 G B 157 -876.280 -3.864 111.660 1.00855.43 C ATOM 3378 O6 G B 157 -875.726 -2.764 111.759 1.00855.43 O ATOM 3379 N1 G B 157 -877.571 -3.948 111.146 1.00855.43 N ATOM 3380 C2 G B 157 -878.284 -5.109 110.986 1.00855.43 C ATOM 3381 N2 G B 157 -879.517 -4.981 110.474 1.00855.43 N ATOM 3382 N3 G B 157 -877.824 -6.310 111.305 1.00855.43 N ATOM 3383 C4 G B 157 -876.573 -6.250 111.807 1.00855.43 C ATOM 3384 P A B 158 -875.885 -10.328 107.858 1.00855.43 P ATOM 3385 O1P A B 158 -875.147 -9.084 107.527 1.00855.43 O ATOM 3386 O2P A B 158 -877.366 -10.325 107.856 1.00855.43 O ATOM 3387 O5* A B 158 -875.384 -11.497 106.895 1.00855.43 O ATOM 3388 C5* A B 158 -875.665 -12.853 107.206 1.00855.43 C ATOM 3389 C4* A B 158 -876.874 -13.333 106.438 1.00855.43 C ATOM 3390 O4* A B 158 -877.939 -13.586 107.390 1.00855.43 O ATOM 3391 C3* A B 158 -877.466 -12.359 105.424 1.00855.43 C ATOM 3392 O3* A B 158 -876.840 -12.465 104.145 1.00855.43 O ATOM 3393 C2* A B 158 -878.939 -12.754 105.391 1.00855.43 C ATOM 3394 O2* A B 158 -879.186 -13.850 104.528 1.00855.43 O ATOM 3395 C1* A B 158 -879.181 -13.194 106.840 1.00855.43 C ATOM 3396 N9 A B 158 -879.731 -12.155 107.709 1.00855.43 N ATOM 3397 C8 A B 158 -879.549 -12.044 109.069 1.00855.43 C ATOM 3398 N7 A B 158 -880.185 -11.033 109.608 1.00855.43 N ATOM 3399 C5 A B 158 -880.820 -10.430 108.536 1.00855.43 C ATOM 3400 C6 A B 158 -881.660 -9.308 108.445 1.00855.43 C ATOM 3401 N6 A B 158 -882.020 -8.565 109.495 1.00855.43 N ATOM 3402 N1 A B 158 -882.126 -8.969 107.224 1.00855.43 N ATOM 3403 C2 A B 158 -881.766 -9.717 106.174 1.00855.43 C ATOM 3404 N3 A B 158 -880.992 -10.796 106.131 1.00855.43 N ATOM 3405 C4 A B 158 -880.547 -11.106 107.357 1.00855.43 C ATOM 3406 P A B 159 -875.822 -11.323 103.639 1.00855.43 P ATOM 3407 O1P A B 159 -874.546 -12.001 103.305 1.00855.43 O ATOM 3408 O2P A B 159 -875.824 -10.204 104.611 1.00855.43 O ATOM 3409 O5* A B 159 -876.459 -10.793 102.278 1.00855.43 O ATOM 3410 C5* A B 159 -876.441 -11.591 101.098 1.00855.43 C ATOM 3411 C4* A B 159 -877.523 -11.133 100.154 1.00855.43 C ATOM 3412 O4* A B 159 -878.808 -11.298 100.808 1.00855.43 O ATOM 3413 C3* A B 159 -877.410 -9.636 99.809 1.00855.43 C ATOM 3414 O3* A B 159 -876.698 -9.391 98.601 1.00855.43 O ATOM 3415 C2* A B 159 -878.860 -9.176 99.735 1.00855.43 C ATOM 3416 O2* A B 159 -879.441 -9.416 98.470 1.00855.43 O ATOM 3417 C1* A B 159 -879.525 -10.078 100.776 1.00855.43 C ATOM 3418 N9 A B 159 -879.501 -9.507 102.125 1.00855.43 N ATOM 3419 C8 A B 159 -879.306 -10.170 103.310 1.00855.43 C ATOM 3420 N7 A B 159 -879.347 -9.394 104.365 1.00855.43 N ATOM 3421 C5 A B 159 -879.584 -8.131 103.840 1.00855.43 C ATOM 3422 C6 A B 159 -879.742 -6.866 104.442 1.00855.43 C ATOM 3423 N6 A B 159 -879.688 -6.654 105.761 1.00855.43 N ATOM 3424 N1 A B 159 -879.963 -5.808 103.630 1.00855.43 N ATOM 3425 C2 A B 159 -880.024 -6.019 102.307 1.00855.43 C ATOM 3426 N3 A B 159 -879.896 -7.157 101.624 1.00855.43 N ATOM 3427 C4 A B 159 -879.677 -8.186 102.459 1.00855.43 C ATOM 3428 P C B 160 -875.718 -8.120 98.498 1.00855.43 P ATOM 3429 O1P C B 160 -875.066 -8.162 97.167 1.00855.43 O ATOM 3430 O2P C B 160 -874.879 -8.075 99.725 1.00855.43 O ATOM 3431 O5* C B 160 -876.705 -6.869 98.528 1.00855.43 O ATOM 3432 C5* C B 160 -877.657 -6.668 97.485 1.00855.43 C ATOM 3433 C4* C B 160 -878.032 -5.208 97.396 1.00855.43 C ATOM 3434 O4* C B 160 -878.685 -4.784 98.620 1.00855.43 O ATOM 3435 C3* C B 160 -876.900 -4.214 97.205 1.00855.43 C ATOM 3436 O3* C B 160 -876.529 -4.112 95.836 1.00855.43 O ATOM 3437 C2* C B 160 -877.496 -2.917 97.737 1.00855.43 C ATOM 3438 O2* C B 160 -878.293 -2.256 96.776 1.00855.43 O ATOM 3439 C1* C B 160 -878.384 -3.424 98.876 1.00855.43 C ATOM 3440 N1 C B 160 -877.744 -3.325 100.197 1.00855.43 N ATOM 3441 C2 C B 160 -877.915 -2.151 100.943 1.00855.43 C ATOM 3442 O2 C B 160 -878.604 -1.234 100.473 1.00855.43 O ATOM 3443 N3 C B 160 -877.328 -2.047 102.157 1.00855.43 N ATOM 3444 C4 C B 160 -876.597 -3.053 102.632 1.00855.43 C ATOM 3445 N4 C B 160 -876.034 -2.905 103.835 1.00855.43 N ATOM 3446 C5 C B 160 -876.404 -4.259 101.895 1.00855.43 C ATOM 3447 C6 C B 160 -876.991 -4.352 100.695 1.00855.43 C ATOM 3448 P U B 161 -874.981 -4.216 95.425 1.00855.43 P ATOM 3449 O1P U B 161 -874.926 -4.483 93.964 1.00855.43 O ATOM 3450 O2P U B 161 -874.307 -5.148 96.367 1.00855.43 O ATOM 3451 O5* U B 161 -874.421 -2.748 95.682 1.00855.43 O ATOM 3452 C5* U B 161 -874.487 -1.763 94.656 1.00855.43 C ATOM 3453 C4* U B 161 -873.545 -0.621 94.954 1.00855.43 C ATOM 3454 O4* U B 161 -874.006 0.141 96.098 1.00855.43 O ATOM 3455 C3* U B 161 -872.092 -0.937 95.285 1.00855.43 C ATOM 3456 O3* U B 161 -871.332 -1.193 94.112 1.00855.43 O ATOM 3457 C2* U B 161 -871.631 0.337 95.988 1.00855.43 C ATOM 3458 O2* U B 161 -871.243 1.348 95.077 1.00855.43 O ATOM 3459 C1* U B 161 -872.902 0.775 96.718 1.00855.43 C ATOM 3460 N1 U B 161 -872.884 0.432 98.147 1.00855.43 N ATOM 3461 C2 U B 161 -872.252 1.316 99.001 1.00855.43 C ATOM 3462 O2 U B 161 -871.734 2.352 98.620 1.00855.43 O ATOM 3463 N3 U B 161 -872.254 0.948 100.324 1.00855.43 N ATOM 3464 C4 U B 161 -872.808 -0.192 100.867 1.00855.43 C ATOM 3465 O4 U B 161 -872.710 -0.391 102.078 1.00855.43 O ATOM 3466 C5 U B 161 -873.448 -1.057 99.918 1.00855.43 C ATOM 3467 C6 U B 161 -873.464 -0.721 98.622 1.00855.43 C ATOM 3468 P C B 162 -870.066 -2.178 94.189 1.00855.43 P ATOM 3469 O1P C B 162 -869.850 -2.742 92.835 1.00855.43 O ATOM 3470 O2P C B 162 -870.258 -3.096 95.342 1.00855.43 O ATOM 3471 O5* C B 162 -868.850 -1.207 94.523 1.00855.43 O ATOM 3472 C5* C B 162 -868.766 0.081 93.921 1.00855.43 C ATOM 3473 C4* C B 162 -868.045 1.048 94.829 1.00855.43 C ATOM 3474 O4* C B 162 -868.706 1.111 96.117 1.00855.43 O ATOM 3475 C3* C B 162 -866.596 0.688 95.130 1.00855.43 C ATOM 3476 O3* C B 162 -865.710 1.188 94.134 1.00855.43 O ATOM 3477 C2* C B 162 -866.361 1.348 96.483 1.00855.43 C ATOM 3478 O2* C B 162 -866.029 2.716 96.371 1.00855.43 O ATOM 3479 C1* C B 162 -867.736 1.211 97.146 1.00855.43 C ATOM 3480 N1 C B 162 -867.839 0.025 98.011 1.00855.43 N ATOM 3481 C2 C B 162 -867.689 0.184 99.395 1.00855.43 C ATOM 3482 O2 C B 162 -867.487 1.320 99.851 1.00855.43 O ATOM 3483 N3 C B 162 -867.774 -0.901 100.199 1.00855.43 N ATOM 3484 C4 C B 162 -867.996 -2.105 99.670 1.00855.43 C ATOM 3485 N4 C B 162 -868.070 -3.147 100.500 1.00855.43 N ATOM 3486 C5 C B 162 -868.152 -2.296 98.266 1.00855.43 C ATOM 3487 C6 C B 162 -868.068 -1.215 97.481 1.00855.43 C ATOM 3488 P A B 163 -864.291 0.473 93.897 1.00855.43 P ATOM 3489 O1P A B 163 -863.603 1.195 92.798 1.00855.43 O ATOM 3490 O2P A B 163 -864.524 -0.991 93.785 1.00855.43 O ATOM 3491 O5* A B 163 -863.492 0.744 95.249 1.00855.43 O ATOM 3492 C5* A B 163 -863.170 2.073 95.654 1.00855.43 C ATOM 3493 C4* A B 163 -862.624 2.067 97.063 1.00855.43 C ATOM 3494 O4* A B 163 -863.685 1.715 97.988 1.00855.43 O ATOM 3495 C3* A B 163 -861.533 1.060 97.382 1.00855.43 C ATOM 3496 O3* A B 163 -860.250 1.486 96.945 1.00855.43 O ATOM 3497 C2* A B 163 -861.628 0.935 98.899 1.00855.43 C ATOM 3498 O2* A B 163 -860.948 1.971 99.573 1.00855.43 O ATOM 3499 C1* A B 163 -863.137 1.072 99.125 1.00855.43 C ATOM 3500 N9 A B 163 -863.798 -0.225 99.258 1.00855.43 N ATOM 3501 C8 A B 163 -864.548 -0.863 98.302 1.00855.43 C ATOM 3502 N7 A B 163 -865.006 -2.031 98.678 1.00855.43 N ATOM 3503 C5 A B 163 -864.528 -2.174 99.971 1.00855.43 C ATOM 3504 C6 A B 163 -864.657 -3.206 100.914 1.00855.43 C ATOM 3505 N6 A B 163 -865.343 -4.331 100.689 1.00855.43 N ATOM 3506 N1 A B 163 -864.057 -3.046 102.111 1.00855.43 N ATOM 3507 C2 A B 163 -863.370 -1.913 102.336 1.00855.43 C ATOM 3508 N3 A B 163 -863.178 -0.871 101.528 1.00855.43 N ATOM 3509 C4 A B 163 -863.787 -1.067 100.346 1.00855.43 C ATOM 3510 P G B 164 -859.192 0.397 96.422 1.00855.43 P ATOM 3511 O1P G B 164 -858.142 1.118 95.650 1.00855.43 O ATOM 3512 O2P G B 164 -859.935 -0.714 95.783 1.00855.43 O ATOM 3513 O5* G B 164 -858.524 -0.157 97.756 1.00855.43 O ATOM 3514 C5* G B 164 -857.750 0.696 98.597 1.00855.43 C ATOM 3515 C4* G B 164 -857.240 -0.078 99.787 1.00855.43 C ATOM 3516 O4* G B 164 -858.312 -0.251 100.751 1.00855.43 O ATOM 3517 C3* G B 164 -856.749 -1.508 99.530 1.00855.43 C ATOM 3518 O3* G B 164 -855.467 -1.651 98.943 1.00855.43 O ATOM 3519 C2* G B 164 -856.865 -2.131 100.912 1.00855.43 C ATOM 3520 O2* G B 164 -855.783 -1.796 101.759 1.00855.43 O ATOM 3521 C1* G B 164 -858.149 -1.486 101.430 1.00855.43 C ATOM 3522 N9 G B 164 -859.324 -2.307 101.142 1.00855.43 N ATOM 3523 C8 G B 164 -860.410 -1.958 100.379 1.00855.43 C ATOM 3524 N7 G B 164 -861.304 -2.906 100.297 1.00855.43 N ATOM 3525 C5 G B 164 -860.772 -3.945 101.047 1.00855.43 C ATOM 3526 C6 G B 164 -861.289 -5.242 101.324 1.00855.43 C ATOM 3527 O6 G B 164 -862.356 -5.748 100.955 1.00855.43 O ATOM 3528 N1 G B 164 -860.420 -5.975 102.123 1.00855.43 N ATOM 3529 C2 G B 164 -859.212 -5.529 102.596 1.00855.43 C ATOM 3530 N2 G B 164 -858.516 -6.393 103.348 1.00855.43 N ATOM 3531 N3 G B 164 -858.722 -4.324 102.350 1.00855.43 N ATOM 3532 C4 G B 164 -859.551 -3.589 101.576 1.00855.43 C ATOM 3533 P G B 165 -855.254 -2.739 97.780 1.00855.43 P ATOM 3534 O1P G B 165 -853.952 -3.410 98.013 1.00855.43 O ATOM 3535 O2P G B 165 -855.515 -2.079 96.474 1.00855.43 O ATOM 3536 O5* G B 165 -856.411 -3.797 98.048 1.00855.43 O ATOM 3537 C5* G B 165 -856.272 -4.764 99.081 1.00855.43 C ATOM 3538 C4* G B 165 -857.283 -5.871 98.926 1.00855.43 C ATOM 3539 O4* G B 165 -858.633 -5.359 99.054 1.00855.43 O ATOM 3540 C3* G B 165 -857.286 -6.617 97.602 1.00855.43 C ATOM 3541 O3* G B 165 -856.267 -7.610 97.567 1.00855.43 O ATOM 3542 C2* G B 165 -858.679 -7.244 97.588 1.00855.43 C ATOM 3543 O2* G B 165 -858.742 -8.454 98.311 1.00855.43 O ATOM 3544 C1* G B 165 -859.516 -6.184 98.309 1.00855.43 C ATOM 3545 N9 G B 165 -860.297 -5.360 97.394 1.00855.43 N ATOM 3546 C8 G B 165 -859.845 -4.378 96.546 1.00855.43 C ATOM 3547 N7 G B 165 -860.800 -3.831 95.842 1.00855.43 N ATOM 3548 C5 G B 165 -861.951 -4.488 96.252 1.00855.43 C ATOM 3549 C6 G B 165 -863.301 -4.331 95.842 1.00855.43 C ATOM 3550 O6 G B 165 -863.766 -3.551 95.002 1.00855.43 O ATOM 3551 N1 G B 165 -864.146 -5.205 96.516 1.00855.43 N ATOM 3552 C2 G B 165 -863.749 -6.115 97.463 1.00855.43 C ATOM 3553 N2 G B 165 -864.716 -6.869 98.004 1.00855.43 N ATOM 3554 N3 G B 165 -862.497 -6.274 97.854 1.00855.43 N ATOM 3555 C4 G B 165 -861.657 -5.434 97.212 1.00855.43 C ATOM 3556 P G B 166 -854.776 -7.193 97.148 1.00855.43 P ATOM 3557 O1P G B 166 -853.911 -7.387 98.339 1.00855.43 O ATOM 3558 O2P G B 166 -854.832 -5.860 96.494 1.00855.43 O ATOM 3559 O5* G B 166 -854.374 -8.279 96.053 1.00855.43 O ATOM 3560 C5* G B 166 -854.015 -9.597 96.450 1.00855.43 C ATOM 3561 C4* G B 166 -854.974 -10.618 95.874 1.00855.43 C ATOM 3562 O4* G B 166 -856.331 -10.332 96.300 1.00855.43 O ATOM 3563 C3* G B 166 -855.032 -10.644 94.359 1.00855.43 C ATOM 3564 O3* G B 166 -854.017 -11.463 93.800 1.00855.43 O ATOM 3565 C2* G B 166 -856.417 -11.219 94.088 1.00855.43 C ATOM 3566 O2* G B 166 -856.442 -12.631 94.146 1.00855.43 O ATOM 3567 C1* G B 166 -857.230 -10.646 95.250 1.00855.43 C ATOM 3568 N9 G B 166 -857.950 -9.444 94.851 1.00855.43 N ATOM 3569 C8 G B 166 -857.433 -8.197 94.584 1.00855.43 C ATOM 3570 N7 G B 166 -858.346 -7.329 94.242 1.00855.43 N ATOM 3571 C5 G B 166 -859.535 -8.044 94.285 1.00855.43 C ATOM 3572 C6 G B 166 -860.867 -7.633 94.012 1.00855.43 C ATOM 3573 O6 G B 166 -861.276 -6.518 93.670 1.00855.43 O ATOM 3574 N1 G B 166 -861.769 -8.681 94.176 1.00855.43 N ATOM 3575 C2 G B 166 -861.436 -9.959 94.555 1.00855.43 C ATOM 3576 N2 G B 166 -862.451 -10.833 94.657 1.00855.43 N ATOM 3577 N3 G B 166 -860.201 -10.354 94.814 1.00855.43 N ATOM 3578 C4 G B 166 -859.307 -9.350 94.661 1.00855.43 C ATOM 3579 P A B 167 -853.841 -11.525 92.202 1.00855.43 P ATOM 3580 O1P A B 167 -852.569 -12.236 91.919 1.00855.43 O ATOM 3581 O2P A B 167 -854.062 -10.163 91.649 1.00855.43 O ATOM 3582 O5* A B 167 -855.043 -12.454 91.721 1.00855.43 O ATOM 3583 C5* A B 167 -854.778 -13.696 91.087 1.00855.43 C ATOM 3584 C4* A B 167 -854.398 -14.734 92.113 1.00855.43 C ATOM 3585 O4* A B 167 -855.318 -14.681 93.234 1.00855.43 O ATOM 3586 C3* A B 167 -854.467 -16.165 91.622 1.00855.43 C ATOM 3587 O3* A B 167 -853.274 -16.531 90.944 1.00855.43 O ATOM 3588 C2* A B 167 -854.696 -16.954 92.901 1.00855.43 C ATOM 3589 O2* A B 167 -853.492 -17.203 93.601 1.00855.43 O ATOM 3590 C1* A B 167 -855.572 -15.992 93.707 1.00855.43 C ATOM 3591 N9 A B 167 -856.999 -16.260 93.532 1.00855.43 N ATOM 3592 C8 A B 167 -857.913 -15.459 92.896 1.00855.43 C ATOM 3593 N7 A B 167 -859.127 -15.944 92.888 1.00855.43 N ATOM 3594 C5 A B 167 -859.009 -17.150 93.567 1.00855.43 C ATOM 3595 C6 A B 167 -859.943 -18.142 93.894 1.00855.43 C ATOM 3596 N6 A B 167 -861.236 -18.068 93.577 1.00855.43 N ATOM 3597 N1 A B 167 -859.501 -19.223 94.573 1.00855.43 N ATOM 3598 C2 A B 167 -858.202 -19.290 94.895 1.00855.43 C ATOM 3599 N3 A B 167 -857.226 -18.419 94.642 1.00855.43 N ATOM 3600 C4 A B 167 -857.700 -17.358 93.967 1.00855.43 C ATOM 3601 P A B 168 -853.366 -17.204 89.488 1.00855.43 P ATOM 3602 O1P A B 168 -852.018 -17.736 89.169 1.00855.43 O ATOM 3603 O2P A B 168 -854.013 -16.239 88.564 1.00855.43 O ATOM 3604 O5* A B 168 -854.352 -18.438 89.708 1.00855.43 O ATOM 3605 C5* A B 168 -854.050 -19.432 90.680 1.00855.43 C ATOM 3606 C4* A B 168 -855.295 -20.195 91.070 1.00855.43 C ATOM 3607 O4* A B 168 -856.274 -19.301 91.656 1.00855.43 O ATOM 3608 C3* A B 168 -856.044 -20.882 89.946 1.00855.43 C ATOM 3609 O3* A B 168 -855.447 -22.137 89.641 1.00855.43 O ATOM 3610 C2* A B 168 -857.442 -21.046 90.530 1.00855.43 C ATOM 3611 O2* A B 168 -857.552 -22.182 91.364 1.00855.43 O ATOM 3612 C1* A B 168 -857.581 -19.784 91.381 1.00855.43 C ATOM 3613 N9 A B 168 -858.328 -18.736 90.689 1.00855.43 N ATOM 3614 C8 A B 168 -857.824 -17.617 90.078 1.00855.43 C ATOM 3615 N7 A B 168 -858.738 -16.863 89.523 1.00855.43 N ATOM 3616 C5 A B 168 -859.924 -17.525 89.789 1.00855.43 C ATOM 3617 C6 A B 168 -861.256 -17.235 89.461 1.00855.43 C ATOM 3618 N6 A B 168 -861.619 -16.147 88.777 1.00855.43 N ATOM 3619 N1 A B 168 -862.207 -18.103 89.869 1.00855.43 N ATOM 3620 C2 A B 168 -861.830 -19.188 90.562 1.00855.43 C ATOM 3621 N3 A B 168 -860.607 -19.569 90.929 1.00855.43 N ATOM 3622 C4 A B 168 -859.689 -18.683 90.507 1.00855.43 C ATOM 3623 P C B 169 -855.243 -22.563 88.103 1.00855.43 P ATOM 3624 O1P C B 169 -853.857 -23.084 87.979 1.00855.43 O ATOM 3625 O2P C B 169 -855.684 -21.439 87.240 1.00855.43 O ATOM 3626 O5* C B 169 -856.246 -23.786 87.902 1.00855.43 O ATOM 3627 C5* C B 169 -855.951 -25.054 88.474 1.00855.43 C ATOM 3628 C4* C B 169 -857.119 -26.001 88.318 1.00855.43 C ATOM 3629 O4* C B 169 -858.237 -25.543 89.122 1.00855.43 O ATOM 3630 C3* C B 169 -857.669 -26.086 86.908 1.00855.43 C ATOM 3631 O3* C B 169 -856.954 -27.038 86.127 1.00855.43 O ATOM 3632 C2* C B 169 -859.109 -26.530 87.140 1.00855.43 C ATOM 3633 O2* C B 169 -859.221 -27.924 87.340 1.00855.43 O ATOM 3634 C1* C B 169 -859.453 -25.804 88.440 1.00855.43 C ATOM 3635 N1 C B 169 -860.149 -24.531 88.191 1.00855.43 N ATOM 3636 C2 C B 169 -861.465 -24.574 87.710 1.00855.43 C ATOM 3637 O2 C B 169 -861.996 -25.678 87.523 1.00855.43 O ATOM 3638 N3 C B 169 -862.119 -23.415 87.464 1.00855.43 N ATOM 3639 C4 C B 169 -861.508 -22.249 87.679 1.00855.43 C ATOM 3640 N4 C B 169 -862.192 -21.130 87.415 1.00855.43 N ATOM 3641 C5 C B 169 -860.173 -22.173 88.170 1.00855.43 C ATOM 3642 C6 C B 169 -859.537 -23.328 88.411 1.00855.43 C ATOM 3643 P U B 170 -856.573 -26.683 84.605 1.00855.43 P ATOM 3644 O1P U B 170 -856.067 -27.933 83.976 1.00855.43 O ATOM 3645 O2P U B 170 -855.723 -25.466 84.609 1.00855.43 O ATOM 3646 O5* U B 170 -857.971 -26.323 83.935 1.00855.43 O ATOM 3647 C5* U B 170 -859.041 -27.265 83.935 1.00855.43 C ATOM 3648 C4* U B 170 -860.339 -26.602 83.550 1.00855.43 C ATOM 3649 O4* U B 170 -860.558 -25.396 84.330 1.00855.43 O ATOM 3650 C3* U B 170 -860.426 -26.185 82.084 1.00855.43 C ATOM 3651 O3* U B 170 -860.886 -27.245 81.257 1.00855.43 O ATOM 3652 C2* U B 170 -861.431 -25.037 82.136 1.00855.43 C ATOM 3653 O2* U B 170 -862.771 -25.482 82.106 1.00855.43 O ATOM 3654 C1* U B 170 -861.135 -24.404 83.499 1.00855.43 C ATOM 3655 N1 U B 170 -860.247 -23.235 83.427 1.00855.43 N ATOM 3656 C2 U B 170 -860.760 -22.090 82.843 1.00855.43 C ATOM 3657 O2 U B 170 -861.913 -22.009 82.455 1.00855.43 O ATOM 3658 N3 U B 170 -859.883 -21.036 82.737 1.00855.43 N ATOM 3659 C4 U B 170 -858.576 -21.007 83.172 1.00855.43 C ATOM 3660 O4 U B 170 -857.900 -20.000 82.970 1.00855.43 O ATOM 3661 C5 U B 170 -858.122 -22.220 83.794 1.00855.43 C ATOM 3662 C6 U B 170 -858.951 -23.267 83.894 1.00855.43 C ATOM 3663 P G B 171 -860.228 -27.462 79.807 1.00855.43 P ATOM 3664 O1P G B 171 -860.971 -28.555 79.131 1.00855.43 O ATOM 3665 O2P G B 171 -858.755 -27.568 79.974 1.00855.43 O ATOM 3666 O5* G B 171 -860.542 -26.102 79.047 1.00855.43 O ATOM 3667 C5* G B 171 -861.845 -25.829 78.542 1.00855.43 C ATOM 3668 C4* G B 171 -861.808 -24.585 77.693 1.00855.43 C ATOM 3669 O4* G B 171 -861.367 -23.461 78.497 1.00855.43 O ATOM 3670 C3* G B 171 -860.850 -24.623 76.522 1.00855.43 C ATOM 3671 O3* G B 171 -861.440 -25.272 75.407 1.00855.43 O ATOM 3672 C2* G B 171 -860.544 -23.150 76.281 1.00855.43 C ATOM 3673 O2* G B 171 -861.527 -22.510 75.491 1.00855.43 O ATOM 3674 C1* G B 171 -860.575 -22.593 77.707 1.00855.43 C ATOM 3675 N9 G B 171 -859.253 -22.516 78.316 1.00855.43 N ATOM 3676 C8 G B 171 -858.515 -23.557 78.827 1.00855.43 C ATOM 3677 N7 G B 171 -857.359 -23.179 79.304 1.00855.43 N ATOM 3678 C5 G B 171 -857.334 -21.807 79.098 1.00855.43 C ATOM 3679 C6 G B 171 -856.335 -20.845 79.410 1.00855.43 C ATOM 3680 O6 G B 171 -855.236 -21.013 79.954 1.00855.43 O ATOM 3681 N1 G B 171 -856.727 -19.566 79.022 1.00855.43 N ATOM 3682 C2 G B 171 -857.919 -19.251 78.416 1.00855.43 C ATOM 3683 N2 G B 171 -858.115 -17.966 78.119 1.00855.43 N ATOM 3684 N3 G B 171 -858.851 -20.136 78.122 1.00855.43 N ATOM 3685 C4 G B 171 -858.498 -21.385 78.487 1.00855.43 C ATOM 3686 P A B 172 -860.502 -26.032 74.345 1.00855.43 P ATOM 3687 O1P A B 172 -861.376 -26.501 73.240 1.00855.43 O ATOM 3688 O2P A B 172 -859.660 -27.008 75.080 1.00855.43 O ATOM 3689 O5* A B 172 -859.564 -24.872 73.787 1.00855.43 O ATOM 3690 C5* A B 172 -860.087 -23.881 72.913 1.00855.43 C ATOM 3691 C4* A B 172 -859.043 -22.833 72.606 1.00855.43 C ATOM 3692 O4* A B 172 -858.677 -22.113 73.808 1.00855.43 O ATOM 3693 C3* A B 172 -857.734 -23.347 72.042 1.00855.43 C ATOM 3694 O3* A B 172 -857.834 -23.517 70.635 1.00855.43 O ATOM 3695 C2* A B 172 -856.749 -22.235 72.398 1.00855.43 C ATOM 3696 O2* A B 172 -856.747 -21.187 71.452 1.00855.43 O ATOM 3697 C1* A B 172 -857.320 -21.721 73.722 1.00855.43 C ATOM 3698 N9 A B 172 -856.603 -22.208 74.900 1.00855.43 N ATOM 3699 C8 A B 172 -856.917 -23.221 75.768 1.00855.43 C ATOM 3700 N7 A B 172 -856.032 -23.396 76.721 1.00855.43 N ATOM 3701 C5 A B 172 -855.071 -22.428 76.459 1.00855.43 C ATOM 3702 C6 A B 172 -853.872 -22.082 77.102 1.00855.43 C ATOM 3703 N6 A B 172 -853.398 -22.708 78.183 1.00855.43 N ATOM 3704 N1 A B 172 -853.157 -21.061 76.586 1.00855.43 N ATOM 3705 C2 A B 172 -853.623 -20.440 75.494 1.00855.43 C ATOM 3706 N3 A B 172 -854.721 -20.675 74.801 1.00855.43 N ATOM 3707 C4 A B 172 -855.412 -21.691 75.342 1.00855.43 C ATOM 3708 P A B 173 -856.752 -24.422 69.872 1.00855.43 P ATOM 3709 O1P A B 173 -855.437 -23.745 69.988 1.00855.43 O ATOM 3710 O2P A B 173 -857.294 -24.750 68.529 1.00855.43 O ATOM 3711 O5* A B 173 -856.710 -25.758 70.735 1.00855.43 O ATOM 3712 C5* A B 173 -857.849 -26.609 70.801 1.00855.43 C ATOM 3713 C4* A B 173 -857.992 -27.213 72.180 1.00855.43 C ATOM 3714 O4* A B 173 -859.122 -28.115 72.158 1.00855.43 O ATOM 3715 C3* A B 173 -856.811 -28.068 72.631 1.00855.43 C ATOM 3716 O3* A B 173 -855.670 -27.381 73.164 1.00855.43 O ATOM 3717 C2* A B 173 -857.448 -29.118 73.540 1.00855.43 C ATOM 3718 O2* A B 173 -857.571 -28.745 74.896 1.00855.43 O ATOM 3719 C1* A B 173 -858.839 -29.277 72.911 1.00855.43 C ATOM 3720 N9 A B 173 -859.027 -30.426 72.026 1.00855.43 N ATOM 3721 C8 A B 173 -860.044 -30.566 71.116 1.00855.43 C ATOM 3722 N7 A B 173 -859.986 -31.673 70.419 1.00855.43 N ATOM 3723 C5 A B 173 -858.856 -32.314 70.906 1.00855.43 C ATOM 3724 C6 A B 173 -858.249 -33.536 70.572 1.00855.43 C ATOM 3725 N6 A B 173 -858.716 -34.362 69.632 1.00855.43 N ATOM 3726 N1 A B 173 -857.134 -33.887 71.248 1.00855.43 N ATOM 3727 C2 A B 173 -856.667 -33.055 72.190 1.00855.43 C ATOM 3728 N3 A B 173 -857.146 -31.881 72.591 1.00855.43 N ATOM 3729 C4 A B 173 -858.255 -31.559 71.902 1.00855.43 C ATOM 3730 P A B 174 -855.857 -26.276 74.329 1.00855.43 P ATOM 3731 O1P A B 174 -857.249 -26.319 74.841 1.00855.43 O ATOM 3732 O2P A B 174 -855.315 -24.994 73.811 1.00855.43 O ATOM 3733 O5* A B 174 -854.890 -26.760 75.499 1.00855.43 O ATOM 3734 C5* A B 174 -855.340 -27.690 76.480 1.00855.43 C ATOM 3735 C4* A B 174 -854.164 -28.409 77.100 1.00855.43 C ATOM 3736 O4* A B 174 -853.463 -29.163 76.076 1.00855.43 O ATOM 3737 C3* A B 174 -853.090 -27.539 77.703 1.00855.43 C ATOM 3738 O3* A B 174 -853.464 -27.191 79.032 1.00855.43 O ATOM 3739 C2* A B 174 -851.860 -28.437 77.680 1.00855.43 C ATOM 3740 O2* A B 174 -851.798 -29.304 78.794 1.00855.43 O ATOM 3741 C1* A B 174 -852.092 -29.259 76.411 1.00855.43 C ATOM 3742 N9 A B 174 -851.303 -28.766 75.284 1.00855.43 N ATOM 3743 C8 A B 174 -851.646 -27.821 74.351 1.00855.43 C ATOM 3744 N7 A B 174 -850.708 -27.587 73.466 1.00855.43 N ATOM 3745 C5 A B 174 -849.678 -28.439 73.840 1.00855.43 C ATOM 3746 C6 A B 174 -848.399 -28.670 73.305 1.00855.43 C ATOM 3747 N6 A B 174 -847.918 -28.035 72.232 1.00855.43 N ATOM 3748 N1 A B 174 -847.618 -29.588 73.915 1.00855.43 N ATOM 3749 C2 A B 174 -848.099 -30.222 74.992 1.00855.43 C ATOM 3750 N3 A B 174 -849.280 -30.092 75.589 1.00855.43 N ATOM 3751 C4 A B 174 -850.031 -29.173 74.956 1.00855.43 C ATOM 3752 P C B 175 -853.736 -25.649 79.402 1.00855.43 P ATOM 3753 O1P C B 175 -854.106 -25.597 80.839 1.00855.43 O ATOM 3754 O2P C B 175 -854.653 -25.082 78.384 1.00855.43 O ATOM 3755 O5* C B 175 -852.310 -24.954 79.235 1.00855.43 O ATOM 3756 C5* C B 175 -851.153 -25.498 79.860 1.00855.43 C ATOM 3757 C4* C B 175 -849.910 -25.089 79.109 1.00855.43 C ATOM 3758 O4* C B 175 -849.896 -25.715 77.799 1.00855.43 O ATOM 3759 C3* C B 175 -849.850 -23.599 78.830 1.00855.43 C ATOM 3760 O3* C B 175 -849.256 -22.902 79.917 1.00855.43 O ATOM 3761 C2* C B 175 -848.987 -23.523 77.577 1.00855.43 C ATOM 3762 O2* C B 175 -847.606 -23.578 77.880 1.00855.43 O ATOM 3763 C1* C B 175 -849.387 -24.802 76.837 1.00855.43 C ATOM 3764 N1 C B 175 -850.422 -24.586 75.814 1.00855.43 N ATOM 3765 C2 C B 175 -850.038 -24.139 74.540 1.00855.43 C ATOM 3766 O2 C B 175 -848.836 -23.936 74.313 1.00855.43 O ATOM 3767 N3 C B 175 -850.982 -23.939 73.597 1.00855.43 N ATOM 3768 C4 C B 175 -852.266 -24.168 73.878 1.00855.43 C ATOM 3769 N4 C B 175 -853.161 -23.958 72.910 1.00855.43 N ATOM 3770 C5 C B 175 -852.688 -24.624 75.159 1.00855.43 C ATOM 3771 C6 C B 175 -851.742 -24.817 76.090 1.00855.43 C ATOM 3772 P A B 176 -850.190 -22.144 80.982 1.00855.43 P ATOM 3773 O1P A B 176 -850.346 -23.043 82.153 1.00855.43 O ATOM 3774 O2P A B 176 -851.395 -21.642 80.274 1.00855.43 O ATOM 3775 O5* A B 176 -849.313 -20.895 81.433 1.00855.43 O ATOM 3776 C5* A B 176 -849.614 -19.580 80.974 1.00855.43 C ATOM 3777 C4* A B 176 -848.664 -18.581 81.595 1.00855.43 C ATOM 3778 O4* A B 176 -847.297 -18.981 81.339 1.00855.43 O ATOM 3779 C3* A B 176 -848.781 -17.145 81.099 1.00855.43 C ATOM 3780 O3* A B 176 -849.771 -16.417 81.820 1.00855.43 O ATOM 3781 C2* A B 176 -847.385 -16.588 81.381 1.00855.43 C ATOM 3782 O2* A B 176 -847.247 -16.115 82.705 1.00855.43 O ATOM 3783 C1* A B 176 -846.496 -17.824 81.207 1.00855.43 C ATOM 3784 N9 A B 176 -845.731 -17.903 79.963 1.00855.43 N ATOM 3785 C8 A B 176 -846.119 -17.607 78.679 1.00855.43 C ATOM 3786 N7 A B 176 -845.180 -17.819 77.785 1.00855.43 N ATOM 3787 C5 A B 176 -844.103 -18.275 78.529 1.00855.43 C ATOM 3788 C6 A B 176 -842.803 -18.677 78.174 1.00855.43 C ATOM 3789 N6 A B 176 -842.350 -18.695 76.919 1.00855.43 N ATOM 3790 N1 A B 176 -841.972 -19.069 79.163 1.00855.43 N ATOM 3791 C2 A B 176 -842.428 -19.062 80.421 1.00855.43 C ATOM 3792 N3 A B 176 -843.626 -18.711 80.882 1.00855.43 N ATOM 3793 C4 A B 176 -844.426 -18.322 79.872 1.00855.43 C ATOM 3794 P U B 177 -850.763 -15.423 81.038 1.00855.43 P ATOM 3795 O1P U B 177 -851.547 -14.692 82.065 1.00855.43 O ATOM 3796 O2P U B 177 -851.471 -16.191 79.984 1.00855.43 O ATOM 3797 O5* U B 177 -849.789 -14.383 80.334 1.00855.43 O ATOM 3798 C5* U B 177 -849.445 -13.162 80.972 1.00855.43 C ATOM 3799 C4* U B 177 -849.659 -12.013 80.025 1.00855.43 C ATOM 3800 O4* U B 177 -849.139 -12.376 78.723 1.00855.43 O ATOM 3801 C3* U B 177 -851.111 -11.623 79.783 1.00855.43 C ATOM 3802 O3* U B 177 -851.516 -10.672 80.757 1.00855.43 O ATOM 3803 C2* U B 177 -851.069 -11.009 78.391 1.00855.43 C ATOM 3804 O2* U B 177 -850.729 -9.639 78.387 1.00855.43 O ATOM 3805 C1* U B 177 -849.954 -11.816 77.720 1.00855.43 C ATOM 3806 N1 U B 177 -850.481 -12.894 76.879 1.00855.43 N ATOM 3807 C2 U B 177 -850.849 -12.540 75.604 1.00855.43 C ATOM 3808 O2 U B 177 -850.749 -11.411 75.177 1.00855.43 O ATOM 3809 N3 U B 177 -851.338 -13.548 74.839 1.00855.43 N ATOM 3810 C4 U B 177 -851.485 -14.851 75.197 1.00855.43 C ATOM 3811 O4 U B 177 -851.846 -15.629 74.335 1.00855.43 O ATOM 3812 C5 U B 177 -851.092 -15.166 76.548 1.00855.43 C ATOM 3813 C6 U B 177 -850.610 -14.191 77.326 1.00855.43 C ATOM 3814 P C B 178 -852.683 -11.040 81.798 1.00855.43 P ATOM 3815 O1P C B 178 -853.132 -9.764 82.410 1.00855.43 O ATOM 3816 O2P C B 178 -852.211 -12.146 82.669 1.00855.43 O ATOM 3817 O5* C B 178 -853.856 -11.594 80.879 1.00855.43 O ATOM 3818 C5* C B 178 -854.396 -10.792 79.838 1.00855.43 C ATOM 3819 C4* C B 178 -855.296 -11.620 78.958 1.00855.43 C ATOM 3820 O4* C B 178 -854.594 -12.821 78.546 1.00855.43 O ATOM 3821 C3* C B 178 -856.603 -12.126 79.545 1.00855.43 C ATOM 3822 O3* C B 178 -857.614 -11.123 79.464 1.00855.43 O ATOM 3823 C2* C B 178 -856.923 -13.328 78.666 1.00855.43 C ATOM 3824 O2* C B 178 -857.589 -12.975 77.471 1.00855.43 O ATOM 3825 C1* C B 178 -855.530 -13.864 78.335 1.00855.43 C ATOM 3826 N1 C B 178 -855.138 -15.046 79.119 1.00855.43 N ATOM 3827 C2 C B 178 -855.305 -16.303 78.537 1.00855.43 C ATOM 3828 O2 C B 178 -855.756 -16.362 77.386 1.00855.43 O ATOM 3829 N3 C B 178 -854.971 -17.412 79.232 1.00855.43 N ATOM 3830 C4 C B 178 -854.486 -17.299 80.467 1.00855.43 C ATOM 3831 N4 C B 178 -854.183 -18.427 81.121 1.00855.43 N ATOM 3832 C5 C B 178 -854.292 -16.030 81.089 1.00855.43 C ATOM 3833 C6 C B 178 -854.628 -14.936 80.385 1.00855.43 C ATOM 3834 P U B 179 -858.967 -11.288 80.312 1.00855.43 P ATOM 3835 O1P U B 179 -859.834 -10.126 80.001 1.00855.43 O ATOM 3836 O2P U B 179 -858.599 -11.571 81.721 1.00855.43 O ATOM 3837 O5* U B 179 -859.638 -12.598 79.704 1.00855.43 O ATOM 3838 C5* U B 179 -860.797 -12.518 78.879 1.00855.43 C ATOM 3839 C4* U B 179 -861.702 -13.696 79.150 1.00855.43 C ATOM 3840 O4* U B 179 -860.972 -14.932 78.922 1.00855.43 O ATOM 3841 C3* U B 179 -862.156 -13.781 80.588 1.00855.43 C ATOM 3842 O3* U B 179 -863.308 -12.971 80.787 1.00855.43 O ATOM 3843 C2* U B 179 -862.422 -15.271 80.779 1.00855.43 C ATOM 3844 O2* U B 179 -863.695 -15.654 80.291 1.00855.43 O ATOM 3845 C1* U B 179 -861.327 -15.891 79.908 1.00855.43 C ATOM 3846 N1 U B 179 -860.104 -16.225 80.655 1.00855.43 N ATOM 3847 C2 U B 179 -859.964 -17.495 81.212 1.00855.43 C ATOM 3848 O2 U B 179 -860.821 -18.355 81.173 1.00855.43 O ATOM 3849 N3 U B 179 -858.768 -17.718 81.843 1.00855.43 N ATOM 3850 C4 U B 179 -857.731 -16.828 81.996 1.00855.43 C ATOM 3851 O4 U B 179 -856.709 -17.189 82.579 1.00855.43 O ATOM 3852 C5 U B 179 -857.961 -15.538 81.425 1.00855.43 C ATOM 3853 C6 U B 179 -859.108 -15.290 80.788 1.00855.43 C ATOM 3854 P C B 180 -863.456 -12.135 82.151 1.00855.43 P ATOM 3855 O1P C B 180 -864.695 -11.322 82.060 1.00855.43 O ATOM 3856 O2P C B 180 -862.157 -11.465 82.427 1.00855.43 O ATOM 3857 O5* C B 180 -863.678 -13.262 83.255 1.00855.43 O ATOM 3858 C5* C B 180 -864.810 -14.121 83.192 1.00855.43 C ATOM 3859 C4* C B 180 -864.680 -15.225 84.212 1.00855.43 C ATOM 3860 O4* C B 180 -863.562 -16.082 83.874 1.00855.43 O ATOM 3861 C3* C B 180 -864.417 -14.779 85.634 1.00855.43 C ATOM 3862 O3* C B 180 -865.639 -14.454 86.287 1.00855.43 O ATOM 3863 C2* C B 180 -863.737 -16.000 86.253 1.00855.43 C ATOM 3864 O2* C B 180 -864.668 -16.965 86.699 1.00855.43 O ATOM 3865 C1* C B 180 -862.958 -16.565 85.061 1.00855.43 C ATOM 3866 N1 C B 180 -861.538 -16.183 85.044 1.00855.43 N ATOM 3867 C2 C B 180 -860.627 -16.943 85.782 1.00855.43 C ATOM 3868 O2 C B 180 -861.043 -17.907 86.442 1.00855.43 O ATOM 3869 N3 C B 180 -859.316 -16.604 85.761 1.00855.43 N ATOM 3870 C4 C B 180 -858.909 -15.558 85.041 1.00855.43 C ATOM 3871 N4 C B 180 -857.607 -15.264 85.046 1.00855.43 N ATOM 3872 C5 C B 180 -859.819 -14.762 84.287 1.00855.43 C ATOM 3873 C6 C B 180 -861.111 -15.106 84.318 1.00855.43 C ATOM 3874 P A B 181 -865.757 -13.100 87.147 1.00855.43 P ATOM 3875 O1P A B 181 -864.826 -13.227 88.296 1.00855.43 O ATOM 3876 O2P A B 181 -867.199 -12.845 87.393 1.00855.43 O ATOM 3877 O5* A B 181 -865.207 -11.953 86.183 1.00855.43 O ATOM 3878 C5* A B 181 -865.351 -10.576 86.537 1.00855.43 C ATOM 3879 C4* A B 181 -863.999 -9.922 86.723 1.00855.43 C ATOM 3880 O4* A B 181 -863.171 -10.748 87.579 1.00855.43 O ATOM 3881 C3* A B 181 -863.135 -9.747 85.486 1.00855.43 C ATOM 3882 O3* A B 181 -863.394 -8.585 84.688 1.00855.43 O ATOM 3883 C2* A B 181 -861.704 -9.690 86.018 1.00855.43 C ATOM 3884 O2* A B 181 -861.263 -8.374 86.274 1.00855.43 O ATOM 3885 C1* A B 181 -861.809 -10.455 87.339 1.00855.43 C ATOM 3886 N9 A B 181 -861.042 -11.700 87.379 1.00855.43 N ATOM 3887 C8 A B 181 -861.452 -12.979 87.085 1.00855.43 C ATOM 3888 N7 A B 181 -860.514 -13.882 87.239 1.00855.43 N ATOM 3889 C5 A B 181 -859.411 -13.147 87.660 1.00855.43 C ATOM 3890 C6 A B 181 -858.099 -13.519 87.991 1.00855.43 C ATOM 3891 N6 A B 181 -857.652 -14.775 87.955 1.00855.43 N ATOM 3892 N1 A B 181 -857.244 -12.539 88.369 1.00855.43 N ATOM 3893 C2 A B 181 -857.693 -11.278 88.404 1.00855.43 C ATOM 3894 N3 A B 181 -858.901 -10.806 88.115 1.00855.43 N ATOM 3895 C4 A B 181 -859.722 -11.803 87.745 1.00855.43 C ATOM 3896 P G B 182 -864.182 -7.316 85.302 1.00855.43 P ATOM 3897 O1P G B 182 -865.547 -7.721 85.721 1.00855.43 O ATOM 3898 O2P G B 182 -864.021 -6.200 84.336 1.00855.43 O ATOM 3899 O5* G B 182 -863.337 -6.945 86.601 1.00855.43 O ATOM 3900 C5* G B 182 -863.973 -6.673 87.850 1.00855.43 C ATOM 3901 C4* G B 182 -863.484 -7.649 88.895 1.00855.43 C ATOM 3902 O4* G B 182 -862.045 -7.793 88.822 1.00855.43 O ATOM 3903 C3* G B 182 -863.779 -7.436 90.368 1.00855.43 C ATOM 3904 O3* G B 182 -865.094 -7.926 90.593 1.00855.43 O ATOM 3905 C2* G B 182 -862.727 -8.303 91.054 1.00855.43 C ATOM 3906 O2* G B 182 -863.131 -9.653 91.161 1.00855.43 O ATOM 3907 C1* G B 182 -861.548 -8.211 90.082 1.00855.43 C ATOM 3908 N9 G B 182 -860.496 -7.293 90.507 1.00855.43 N ATOM 3909 C8 G B 182 -860.590 -5.931 90.673 1.00855.43 C ATOM 3910 N7 G B 182 -859.470 -5.386 91.059 1.00855.43 N ATOM 3911 C5 G B 182 -858.584 -6.448 91.157 1.00855.43 C ATOM 3912 C6 G B 182 -857.212 -6.475 91.533 1.00855.43 C ATOM 3913 O6 G B 182 -856.484 -5.534 91.864 1.00855.43 O ATOM 3914 N1 G B 182 -856.702 -7.770 91.495 1.00855.43 N ATOM 3915 C2 G B 182 -857.408 -8.892 91.142 1.00855.43 C ATOM 3916 N2 G B 182 -856.733 -10.049 91.169 1.00855.43 N ATOM 3917 N3 G B 182 -858.683 -8.879 90.790 1.00855.43 N ATOM 3918 C4 G B 182 -859.205 -7.634 90.820 1.00855.43 C ATOM 3919 P U B 183 -865.603 -8.185 92.089 1.00855.43 P ATOM 3920 O1P U B 183 -867.010 -7.715 92.177 1.00855.43 O ATOM 3921 O2P U B 183 -864.588 -7.650 93.033 1.00855.43 O ATOM 3922 O5* U B 183 -865.599 -9.774 92.203 1.00855.43 O ATOM 3923 C5* U B 183 -866.670 -10.547 91.669 1.00855.43 C ATOM 3924 C4* U B 183 -866.369 -12.020 91.809 1.00855.43 C ATOM 3925 O4* U B 183 -865.269 -12.398 90.937 1.00855.43 O ATOM 3926 C3* U B 183 -865.922 -12.619 93.130 1.00855.43 C ATOM 3927 O3* U B 183 -867.062 -12.782 93.962 1.00855.43 O ATOM 3928 C2* U B 183 -865.264 -13.944 92.756 1.00855.43 C ATOM 3929 O2* U B 183 -866.184 -15.016 92.719 1.00855.43 O ATOM 3930 C1* U B 183 -864.753 -13.655 91.341 1.00855.43 C ATOM 3931 N1 U B 183 -863.287 -13.606 91.249 1.00855.43 N ATOM 3932 C2 U B 183 -862.582 -14.755 91.550 1.00855.43 C ATOM 3933 O2 U B 183 -863.118 -15.792 91.893 1.00855.43 O ATOM 3934 N3 U B 183 -861.216 -14.645 91.435 1.00855.43 N ATOM 3935 C4 U B 183 -860.505 -13.524 91.056 1.00855.43 C ATOM 3936 O4 U B 183 -859.276 -13.588 90.977 1.00855.43 O ATOM 3937 C5 U B 183 -861.307 -12.376 90.769 1.00855.43 C ATOM 3938 C6 U B 183 -862.638 -12.454 90.872 1.00855.43 C ATOM 3939 P A B 184 -866.857 -13.052 95.529 1.00855.43 P ATOM 3940 O1P A B 184 -868.197 -13.259 96.135 1.00855.43 O ATOM 3941 O2P A B 184 -865.964 -11.995 96.070 1.00855.43 O ATOM 3942 O5* A B 184 -866.068 -14.435 95.567 1.00855.43 O ATOM 3943 C5* A B 184 -866.743 -15.651 95.881 1.00855.43 C ATOM 3944 C4* A B 184 -865.841 -16.551 96.686 1.00855.43 C ATOM 3945 O4* A B 184 -864.563 -16.708 96.020 1.00855.43 O ATOM 3946 C3* A B 184 -865.528 -16.036 98.090 1.00855.43 C ATOM 3947 O3* A B 184 -866.525 -16.443 99.021 1.00855.43 O ATOM 3948 C2* A B 184 -864.158 -16.652 98.380 1.00855.43 C ATOM 3949 O2* A B 184 -864.241 -17.959 98.903 1.00855.43 O ATOM 3950 C1* A B 184 -863.524 -16.694 96.983 1.00855.43 C ATOM 3951 N9 A B 184 -862.622 -15.580 96.683 1.00855.43 N ATOM 3952 C8 A B 184 -862.712 -14.670 95.659 1.00855.43 C ATOM 3953 N7 A B 184 -861.736 -13.791 95.645 1.00855.43 N ATOM 3954 C5 A B 184 -860.955 -14.147 96.734 1.00855.43 C ATOM 3955 C6 A B 184 -859.771 -13.606 97.264 1.00855.43 C ATOM 3956 N6 A B 184 -859.141 -12.548 96.742 1.00855.43 N ATOM 3957 N1 A B 184 -859.248 -14.195 98.363 1.00855.43 N ATOM 3958 C2 A B 184 -859.883 -15.253 98.885 1.00855.43 C ATOM 3959 N3 A B 184 -860.997 -15.853 98.477 1.00855.43 N ATOM 3960 C4 A B 184 -861.489 -15.245 97.386 1.00855.43 C ATOM 3961 P C B 185 -866.796 -15.561 100.336 1.00855.43 P ATOM 3962 O1P C B 185 -867.506 -16.428 101.308 1.00855.43 O ATOM 3963 O2P C B 185 -867.399 -14.269 99.926 1.00855.43 O ATOM 3964 O5* C B 185 -865.333 -15.284 100.900 1.00855.43 O ATOM 3965 C5* C B 185 -864.703 -16.230 101.753 1.00855.43 C ATOM 3966 C4* C B 185 -863.437 -15.653 102.337 1.00855.43 C ATOM 3967 O4* C B 185 -862.486 -15.361 101.280 1.00855.43 O ATOM 3968 C3* C B 185 -863.580 -14.346 103.112 1.00855.43 C ATOM 3969 O3* C B 185 -864.002 -14.531 104.457 1.00855.43 O ATOM 3970 C2* C B 185 -862.172 -13.765 103.027 1.00855.43 C ATOM 3971 O2* C B 185 -861.297 -14.313 103.989 1.00855.43 O ATOM 3972 C1* C B 185 -861.723 -14.220 101.637 1.00855.43 C ATOM 3973 N1 C B 185 -861.866 -13.191 100.596 1.00855.43 N ATOM 3974 C2 C B 185 -860.869 -12.219 100.476 1.00855.43 C ATOM 3975 O2 C B 185 -859.908 -12.245 101.260 1.00855.43 O ATOM 3976 N3 C B 185 -860.976 -11.275 99.512 1.00855.43 N ATOM 3977 C4 C B 185 -862.028 -11.278 98.689 1.00855.43 C ATOM 3978 N4 C B 185 -862.087 -10.334 97.748 1.00855.43 N ATOM 3979 C5 C B 185 -863.065 -12.253 98.798 1.00855.43 C ATOM 3980 C6 C B 185 -862.945 -13.181 99.756 1.00855.43 C ATOM 3981 P C B 186 -864.579 -13.283 105.285 1.00855.43 P ATOM 3982 O1P C B 186 -865.035 -13.790 106.605 1.00855.43 O ATOM 3983 O2P C B 186 -865.525 -12.533 104.419 1.00855.43 O ATOM 3984 O5* C B 186 -863.291 -12.377 105.522 1.00855.43 O ATOM 3985 C5* C B 186 -862.263 -12.800 106.408 1.00855.43 C ATOM 3986 C4* C B 186 -861.138 -11.803 106.413 1.00855.43 C ATOM 3987 O4* C B 186 -860.499 -11.738 105.110 1.00855.43 O ATOM 3988 C3* C B 186 -861.559 -10.374 106.696 1.00855.43 C ATOM 3989 O3* C B 186 -861.738 -10.145 108.084 1.00855.43 O ATOM 3990 C2* C B 186 -860.424 -9.565 106.085 1.00855.43 C ATOM 3991 O2* C B 186 -859.302 -9.470 106.939 1.00855.43 O ATOM 3992 C1* C B 186 -860.067 -10.410 104.860 1.00855.43 C ATOM 3993 N1 C B 186 -860.731 -9.924 103.638 1.00855.43 N ATOM 3994 C2 C B 186 -859.968 -9.241 102.680 1.00855.43 C ATOM 3995 O2 C B 186 -858.755 -9.079 102.883 1.00855.43 O ATOM 3996 N3 C B 186 -860.569 -8.773 101.566 1.00855.43 N ATOM 3997 C4 C B 186 -861.876 -8.964 101.382 1.00855.43 C ATOM 3998 N4 C B 186 -862.428 -8.476 100.268 1.00855.43 N ATOM 3999 C5 C B 186 -862.677 -9.662 102.333 1.00855.43 C ATOM 4000 C6 C B 186 -862.069 -10.122 103.438 1.00855.43 C ATOM 4001 P U B 187 -863.154 -9.600 108.611 1.00855.43 P ATOM 4002 O1P U B 187 -863.495 -10.342 109.851 1.00855.43 O ATOM 4003 O2P U B 187 -864.105 -9.595 107.472 1.00855.43 O ATOM 4004 O5* U B 187 -862.827 -8.092 109.000 1.00855.43 O ATOM 4005 C5* U B 187 -861.562 -7.760 109.553 1.00855.43 C ATOM 4006 C4* U B 187 -860.947 -6.597 108.813 1.00855.43 C ATOM 4007 O4* U B 187 -860.710 -6.930 107.422 1.00855.43 O ATOM 4008 C3* U B 187 -861.819 -5.359 108.779 1.00855.43 C ATOM 4009 O3* U B 187 -861.667 -4.599 109.966 1.00855.43 O ATOM 4010 C2* U B 187 -861.300 -4.625 107.549 1.00855.43 C ATOM 4011 O2* U B 187 -860.141 -3.860 107.817 1.00855.43 O ATOM 4012 C1* U B 187 -860.940 -5.784 106.619 1.00855.43 C ATOM 4013 N1 U B 187 -862.007 -6.070 105.650 1.00855.43 N ATOM 4014 C2 U B 187 -862.151 -5.182 104.601 1.00855.43 C ATOM 4015 O2 U B 187 -861.427 -4.214 104.456 1.00855.43 O ATOM 4016 N3 U B 187 -863.173 -5.471 103.730 1.00855.43 N ATOM 4017 C4 U B 187 -864.044 -6.535 103.797 1.00855.43 C ATOM 4018 O4 U B 187 -864.931 -6.641 102.948 1.00855.43 O ATOM 4019 C5 U B 187 -863.826 -7.418 104.907 1.00855.43 C ATOM 4020 C6 U B 187 -862.834 -7.163 105.771 1.00855.43 C ATOM 4021 P G B 188 -862.961 -3.937 110.647 1.00855.43 P ATOM 4022 O1P G B 188 -862.569 -3.450 111.994 1.00855.43 O ATOM 4023 O2P G B 188 -864.092 -4.894 110.512 1.00855.43 O ATOM 4024 O5* G B 188 -863.265 -2.680 109.723 1.00855.43 O ATOM 4025 C5* G B 188 -862.535 -1.469 109.881 1.00855.43 C ATOM 4026 C4* G B 188 -863.274 -0.326 109.228 1.00855.43 C ATOM 4027 O4* G B 188 -863.115 -0.388 107.789 1.00855.43 O ATOM 4028 C3* G B 188 -864.785 -0.200 109.411 1.00855.43 C ATOM 4029 O3* G B 188 -865.189 0.304 110.677 1.00855.43 O ATOM 4030 C2* G B 188 -865.176 0.704 108.252 1.00855.43 C ATOM 4031 O2* G B 188 -864.949 2.076 108.527 1.00855.43 O ATOM 4032 C1* G B 188 -864.221 0.232 107.156 1.00855.43 C ATOM 4033 N9 G B 188 -864.843 -0.748 106.273 1.00855.43 N ATOM 4034 C8 G B 188 -864.962 -2.100 106.497 1.00855.43 C ATOM 4035 N7 G B 188 -865.590 -2.725 105.539 1.00855.43 N ATOM 4036 C5 G B 188 -865.902 -1.726 104.624 1.00855.43 C ATOM 4037 C6 G B 188 -866.590 -1.803 103.389 1.00855.43 C ATOM 4038 O6 G B 188 -867.076 -2.793 102.834 1.00855.43 O ATOM 4039 N1 G B 188 -866.683 -0.552 102.782 1.00855.43 N ATOM 4040 C2 G B 188 -866.185 0.618 103.300 1.00855.43 C ATOM 4041 N2 G B 188 -866.381 1.720 102.563 1.00855.43 N ATOM 4042 N3 G B 188 -865.546 0.699 104.456 1.00855.43 N ATOM 4043 C4 G B 188 -865.442 -0.501 105.059 1.00855.43 C ATOM 4044 P A B 189 -866.695 0.059 111.179 1.00855.43 P ATOM 4045 O1P A B 189 -866.779 0.513 112.588 1.00855.43 O ATOM 4046 O2P A B 189 -867.078 -1.336 110.835 1.00855.43 O ATOM 4047 O5* A B 189 -867.557 1.047 110.278 1.00855.43 O ATOM 4048 C5* A B 189 -867.331 2.454 110.325 1.00855.43 C ATOM 4049 C4* A B 189 -868.125 3.148 109.245 1.00855.43 C ATOM 4050 O4* A B 189 -867.799 2.584 107.948 1.00855.43 O ATOM 4051 C3* A B 189 -869.640 3.003 109.233 1.00855.43 C ATOM 4052 O3* A B 189 -870.196 3.900 110.181 1.00855.43 O ATOM 4053 C2* A B 189 -870.056 3.331 107.804 1.00855.43 C ATOM 4054 O2* A B 189 -870.302 4.711 107.616 1.00855.43 O ATOM 4055 C1* A B 189 -868.813 2.915 107.014 1.00855.43 C ATOM 4056 N9 A B 189 -869.061 1.748 106.171 1.00855.43 N ATOM 4057 C8 A B 189 -869.176 0.435 106.557 1.00855.43 C ATOM 4058 N7 A B 189 -869.414 -0.388 105.566 1.00855.43 N ATOM 4059 C5 A B 189 -869.453 0.433 104.450 1.00855.43 C ATOM 4060 C6 A B 189 -869.663 0.170 103.085 1.00855.43 C ATOM 4061 N6 A B 189 -869.883 -1.052 102.591 1.00855.43 N ATOM 4062 N1 A B 189 -869.634 1.214 102.227 1.00855.43 N ATOM 4063 C2 A B 189 -869.414 2.439 102.723 1.00855.43 C ATOM 4064 N3 A B 189 -869.203 2.816 103.988 1.00855.43 N ATOM 4065 C4 A B 189 -869.237 1.752 104.809 1.00855.43 C ATOM 4066 P A B 190 -871.068 3.317 111.401 1.00855.43 P ATOM 4067 O1P A B 190 -870.702 4.090 112.615 1.00855.43 O ATOM 4068 O2P A B 190 -870.941 1.838 111.405 1.00855.43 O ATOM 4069 O5* A B 190 -872.566 3.694 111.006 1.00855.43 O ATOM 4070 C5* A B 190 -872.988 5.051 111.008 1.00855.43 C ATOM 4071 C4* A B 190 -873.946 5.321 109.870 1.00855.43 C ATOM 4072 O4* A B 190 -873.350 4.939 108.601 1.00855.43 O ATOM 4073 C3* A B 190 -875.262 4.585 109.908 1.00855.43 C ATOM 4074 O3* A B 190 -876.180 5.275 110.746 1.00855.43 O ATOM 4075 C2* A B 190 -875.705 4.618 108.453 1.00855.43 C ATOM 4076 O2* A B 190 -876.323 5.846 108.116 1.00855.43 O ATOM 4077 C1* A B 190 -874.372 4.513 107.712 1.00855.43 C ATOM 4078 N9 A B 190 -874.097 3.139 107.293 1.00855.43 N ATOM 4079 C8 A B 190 -874.358 1.971 107.970 1.00855.43 C ATOM 4080 N7 A B 190 -874.020 0.889 107.305 1.00855.43 N ATOM 4081 C5 A B 190 -873.494 1.380 106.118 1.00855.43 C ATOM 4082 C6 A B 190 -872.955 0.743 104.985 1.00855.43 C ATOM 4083 N6 A B 190 -872.859 -0.584 104.856 1.00855.43 N ATOM 4084 N1 A B 190 -872.515 1.522 103.972 1.00855.43 N ATOM 4085 C2 A B 190 -872.615 2.850 104.101 1.00855.43 C ATOM 4086 N3 A B 190 -873.100 3.566 105.113 1.00855.43 N ATOM 4087 C4 A B 190 -873.531 2.763 106.100 1.00855.43 C ATOM 4088 P G B 191 -877.525 4.530 111.227 1.00855.43 P ATOM 4089 O1P G B 191 -878.091 5.306 112.360 1.00855.43 O ATOM 4090 O2P G B 191 -877.212 3.090 111.410 1.00855.43 O ATOM 4091 O5* G B 191 -878.512 4.669 109.983 1.00855.43 O ATOM 4092 C5* G B 191 -878.959 5.950 109.547 1.00855.43 C ATOM 4093 C4* G B 191 -879.699 5.831 108.234 1.00855.43 C ATOM 4094 O4* G B 191 -878.782 5.394 107.202 1.00855.43 O ATOM 4095 C3* G B 191 -880.827 4.789 108.242 1.00855.43 C ATOM 4096 O3* G B 191 -882.067 5.300 108.721 1.00855.43 O ATOM 4097 C2* G B 191 -880.896 4.376 106.774 1.00855.43 C ATOM 4098 O2* G B 191 -881.653 5.278 105.995 1.00855.43 O ATOM 4099 C1* G B 191 -879.432 4.469 106.347 1.00855.43 C ATOM 4100 N9 G B 191 -878.712 3.202 106.410 1.00855.43 N ATOM 4101 C8 G B 191 -878.189 2.596 107.531 1.00855.43 C ATOM 4102 N7 G B 191 -877.580 1.472 107.267 1.00855.43 N ATOM 4103 C5 G B 191 -877.711 1.323 105.893 1.00855.43 C ATOM 4104 C6 G B 191 -877.248 0.293 105.027 1.00855.43 C ATOM 4105 O6 G B 191 -876.602 -0.724 105.313 1.00855.43 O ATOM 4106 N1 G B 191 -877.607 0.538 103.705 1.00855.43 N ATOM 4107 C2 G B 191 -878.314 1.629 103.268 1.00855.43 C ATOM 4108 N2 G B 191 -878.561 1.682 101.952 1.00855.43 N ATOM 4109 N3 G B 191 -878.745 2.596 104.061 1.00855.43 N ATOM 4110 C4 G B 191 -878.410 2.381 105.349 1.00855.43 C ATOM 4111 P G B 192 -883.013 4.378 109.638 1.00855.43 P ATOM 4112 O1P G B 192 -884.332 5.055 109.740 1.00855.43 O ATOM 4113 O2P G B 192 -882.270 4.032 110.876 1.00855.43 O ATOM 4114 O5* G B 192 -883.210 3.047 108.785 1.00855.43 O ATOM 4115 C5* G B 192 -884.231 2.954 107.794 1.00855.43 C ATOM 4116 C4* G B 192 -883.618 2.624 106.453 1.00855.43 C ATOM 4117 O4* G B 192 -882.489 1.742 106.663 1.00855.43 O ATOM 4118 C3* G B 192 -884.495 1.930 105.392 1.00855.43 C ATOM 4119 O3* G B 192 -885.441 2.751 104.683 1.00855.43 O ATOM 4120 C2* G B 192 -883.489 1.126 104.570 1.00855.43 C ATOM 4121 O2* G B 192 -882.891 1.767 103.464 1.00855.43 O ATOM 4122 C1* G B 192 -882.412 0.804 105.606 1.00855.43 C ATOM 4123 N9 G B 192 -882.464 -0.544 106.165 1.00855.43 N ATOM 4124 C8 G B 192 -882.705 -0.912 107.466 1.00855.43 C ATOM 4125 N7 G B 192 -882.663 -2.206 107.646 1.00855.43 N ATOM 4126 C5 G B 192 -882.379 -2.718 106.388 1.00855.43 C ATOM 4127 C6 G B 192 -882.200 -4.061 105.946 1.00855.43 C ATOM 4128 O6 G B 192 -882.235 -5.108 106.606 1.00855.43 O ATOM 4129 N1 G B 192 -881.938 -4.119 104.586 1.00855.43 N ATOM 4130 C2 G B 192 -881.848 -3.038 103.751 1.00855.43 C ATOM 4131 N2 G B 192 -881.584 -3.303 102.465 1.00855.43 N ATOM 4132 N3 G B 192 -881.999 -1.787 104.143 1.00855.43 N ATOM 4133 C4 G B 192 -882.261 -1.703 105.464 1.00855.43 C ATOM 4134 P A B 193 -884.963 3.720 103.485 1.00855.43 P ATOM 4135 O1P A B 193 -885.966 4.812 103.415 1.00855.43 O ATOM 4136 O2P A B 193 -884.682 2.915 102.270 1.00855.43 O ATOM 4137 O5* A B 193 -883.606 4.368 104.012 1.00855.43 O ATOM 4138 C5* A B 193 -883.006 5.475 103.335 1.00855.43 C ATOM 4139 C4* A B 193 -881.530 5.216 103.133 1.00855.43 C ATOM 4140 O4* A B 193 -881.324 3.995 102.386 1.00855.43 O ATOM 4141 C3* A B 193 -880.707 6.291 102.413 1.00855.43 C ATOM 4142 O3* A B 193 -880.290 7.346 103.275 1.00855.43 O ATOM 4143 C2* A B 193 -879.527 5.481 101.881 1.00855.43 C ATOM 4144 O2* A B 193 -878.513 5.294 102.847 1.00855.43 O ATOM 4145 C1* A B 193 -880.183 4.133 101.563 1.00855.43 C ATOM 4146 N9 A B 193 -880.608 4.001 100.172 1.00855.43 N ATOM 4147 C8 A B 193 -880.836 5.007 99.267 1.00855.43 C ATOM 4148 N7 A B 193 -881.224 4.583 98.090 1.00855.43 N ATOM 4149 C5 A B 193 -881.251 3.203 98.226 1.00855.43 C ATOM 4150 C6 A B 193 -881.580 2.169 97.331 1.00855.43 C ATOM 4151 N6 A B 193 -881.965 2.378 96.071 1.00855.43 N ATOM 4152 N1 A B 193 -881.503 0.899 97.781 1.00855.43 N ATOM 4153 C2 A B 193 -881.116 0.693 99.049 1.00855.43 C ATOM 4154 N3 A B 193 -880.783 1.578 99.984 1.00855.43 N ATOM 4155 C4 A B 193 -880.871 2.832 99.503 1.00855.43 C ATOM 4156 P G B 194 -879.400 8.544 102.688 1.00855.43 P ATOM 4157 O1P G B 194 -879.446 9.658 103.670 1.00855.43 O ATOM 4158 O2P G B 194 -879.807 8.788 101.282 1.00855.43 O ATOM 4159 O5* G B 194 -877.929 7.941 102.687 1.00855.43 O ATOM 4160 C5* G B 194 -877.009 8.247 101.643 1.00855.43 C ATOM 4161 C4* G B 194 -875.967 7.158 101.540 1.00855.43 C ATOM 4162 O4* G B 194 -876.617 5.870 101.404 1.00855.43 O ATOM 4163 C3* G B 194 -875.041 7.237 100.353 1.00855.43 C ATOM 4164 O3* G B 194 -873.976 8.140 100.599 1.00855.43 O ATOM 4165 C2* G B 194 -874.580 5.797 100.178 1.00855.43 C ATOM 4166 O2* G B 194 -873.520 5.452 101.045 1.00855.43 O ATOM 4167 C1* G B 194 -875.842 5.025 100.570 1.00855.43 C ATOM 4168 N9 G B 194 -876.649 4.686 99.399 1.00855.43 N ATOM 4169 C8 G B 194 -877.286 5.564 98.557 1.00855.43 C ATOM 4170 N7 G B 194 -877.911 4.972 97.575 1.00855.43 N ATOM 4171 C5 G B 194 -877.673 3.618 97.786 1.00855.43 C ATOM 4172 C6 G B 194 -878.089 2.486 97.041 1.00855.43 C ATOM 4173 O6 G B 194 -878.769 2.447 96.010 1.00855.43 O ATOM 4174 N1 G B 194 -877.627 1.302 97.609 1.00855.43 N ATOM 4175 C2 G B 194 -876.861 1.217 98.746 1.00855.43 C ATOM 4176 N2 G B 194 -876.516 -0.019 99.138 1.00855.43 N ATOM 4177 N3 G B 194 -876.461 2.266 99.447 1.00855.43 N ATOM 4178 C4 G B 194 -876.901 3.425 98.915 1.00855.43 C ATOM 4179 P A B 195 -873.278 8.890 99.362 1.00855.43 P ATOM 4180 O1P A B 195 -871.945 9.361 99.818 1.00855.43 O ATOM 4181 O2P A B 195 -874.249 9.865 98.805 1.00855.43 O ATOM 4182 O5* A B 195 -873.064 7.727 98.296 1.00855.43 O ATOM 4183 C5* A B 195 -871.879 6.939 98.319 1.00855.43 C ATOM 4184 C4* A B 195 -871.685 6.234 97.000 1.00855.43 C ATOM 4185 O4* A B 195 -872.656 5.170 96.831 1.00855.43 O ATOM 4186 C3* A B 195 -871.862 7.072 95.748 1.00855.43 C ATOM 4187 O3* A B 195 -870.686 7.826 95.474 1.00855.43 O ATOM 4188 C2* A B 195 -872.134 6.029 94.664 1.00855.43 C ATOM 4189 O2* A B 195 -870.946 5.521 94.090 1.00855.43 O ATOM 4190 C1* A B 195 -872.833 4.916 95.448 1.00855.43 C ATOM 4191 N9 A B 195 -874.261 4.793 95.159 1.00855.43 N ATOM 4192 C8 A B 195 -875.313 5.501 95.684 1.00855.43 C ATOM 4193 N7 A B 195 -876.480 5.148 95.203 1.00855.43 N ATOM 4194 C5 A B 195 -876.179 4.136 94.302 1.00855.43 C ATOM 4195 C6 A B 195 -876.982 3.340 93.464 1.00855.43 C ATOM 4196 N6 A B 195 -878.312 3.446 93.392 1.00855.43 N ATOM 4197 N1 A B 195 -876.366 2.420 92.693 1.00855.43 N ATOM 4198 C2 A B 195 -875.032 2.314 92.765 1.00855.43 C ATOM 4199 N3 A B 195 -874.172 3.000 93.511 1.00855.43 N ATOM 4200 C4 A B 195 -874.817 3.907 94.267 1.00855.43 C ATOM 4201 P A B 196 -870.814 9.368 95.028 1.00855.43 P ATOM 4202 O1P A B 196 -869.520 10.026 95.335 1.00855.43 O ATOM 4203 O2P A B 196 -872.071 9.915 95.601 1.00855.43 O ATOM 4204 O5* A B 196 -870.973 9.293 93.444 1.00855.43 O ATOM 4205 C5* A B 196 -869.845 9.055 92.612 1.00855.43 C ATOM 4206 C4* A B 196 -870.272 8.940 91.167 1.00855.43 C ATOM 4207 O4* A B 196 -871.177 7.821 90.996 1.00855.43 O ATOM 4208 C3* A B 196 -871.003 10.157 90.617 1.00855.43 C ATOM 4209 O3* A B 196 -870.087 11.130 90.134 1.00855.43 O ATOM 4210 C2* A B 196 -871.852 9.559 89.492 1.00855.43 C ATOM 4211 O2* A B 196 -871.137 9.444 88.280 1.00855.43 O ATOM 4212 C1* A B 196 -872.154 8.154 90.027 1.00855.43 C ATOM 4213 N9 A B 196 -873.486 7.957 90.605 1.00855.43 N ATOM 4214 C8 A B 196 -874.257 8.857 91.298 1.00855.43 C ATOM 4215 N7 A B 196 -875.395 8.362 91.720 1.00855.43 N ATOM 4216 C5 A B 196 -875.376 7.048 91.268 1.00855.43 C ATOM 4217 C6 A B 196 -876.294 5.991 91.390 1.00855.43 C ATOM 4218 N6 A B 196 -877.457 6.086 92.040 1.00855.43 N ATOM 4219 N1 A B 196 -875.973 4.811 90.818 1.00855.43 N ATOM 4220 C2 A B 196 -874.804 4.713 90.172 1.00855.43 C ATOM 4221 N3 A B 196 -873.858 5.629 89.991 1.00855.43 N ATOM 4222 C4 A B 196 -874.208 6.789 90.570 1.00855.43 C ATOM 4223 P G B 197 -870.222 12.661 90.600 1.00855.43 P ATOM 4224 O1P G B 197 -869.193 13.441 89.867 1.00855.43 O ATOM 4225 O2P G B 197 -870.253 12.701 92.086 1.00855.43 O ATOM 4226 O5* G B 197 -871.654 13.092 90.059 1.00855.43 O ATOM 4227 C5* G B 197 -872.031 12.841 88.708 1.00855.43 C ATOM 4228 C4* G B 197 -873.533 12.846 88.584 1.00855.43 C ATOM 4229 O4* G B 197 -874.087 11.773 89.389 1.00855.43 O ATOM 4230 C3* G B 197 -874.206 14.089 89.120 1.00855.43 C ATOM 4231 O3* G B 197 -874.174 15.131 88.159 1.00855.43 O ATOM 4232 C2* G B 197 -875.613 13.599 89.446 1.00855.43 C ATOM 4233 O2* G B 197 -876.448 13.557 88.304 1.00855.43 O ATOM 4234 C1* G B 197 -875.330 12.178 89.939 1.00855.43 C ATOM 4235 N9 G B 197 -875.202 12.133 91.393 1.00855.43 N ATOM 4236 C8 G B 197 -874.196 12.696 92.142 1.00855.43 C ATOM 4237 N7 G B 197 -874.350 12.515 93.426 1.00855.43 N ATOM 4238 C5 G B 197 -875.527 11.785 93.530 1.00855.43 C ATOM 4239 C6 G B 197 -876.203 11.298 94.675 1.00855.43 C ATOM 4240 O6 G B 197 -875.891 11.419 95.865 1.00855.43 O ATOM 4241 N1 G B 197 -877.361 10.606 94.328 1.00855.43 N ATOM 4242 C2 G B 197 -877.809 10.412 93.046 1.00855.43 C ATOM 4243 N2 G B 197 -878.948 9.715 92.920 1.00855.43 N ATOM 4244 N3 G B 197 -877.190 10.864 91.969 1.00855.43 N ATOM 4245 C4 G B 197 -876.064 11.536 92.281 1.00855.43 C ATOM 4246 P A B 198 -872.971 16.200 88.199 1.00855.43 P ATOM 4247 O1P A B 198 -872.037 15.857 87.099 1.00855.43 O ATOM 4248 O2P A B 198 -872.468 16.280 89.593 1.00855.43 O ATOM 4249 O5* A B 198 -873.677 17.579 87.840 1.00855.43 O ATOM 4250 C5* A B 198 -873.031 18.531 87.008 1.00855.43 C ATOM 4251 C4* A B 198 -873.453 19.928 87.394 1.00855.43 C ATOM 4252 O4* A B 198 -874.885 20.065 87.205 1.00855.43 O ATOM 4253 C3* A B 198 -873.203 20.265 88.849 1.00855.43 C ATOM 4254 O3* A B 198 -871.854 20.638 89.149 1.00855.43 O ATOM 4255 C2* A B 198 -874.297 21.280 89.187 1.00855.43 C ATOM 4256 O2* A B 198 -873.975 22.631 88.936 1.00855.43 O ATOM 4257 C1* A B 198 -875.433 20.844 88.255 1.00855.43 C ATOM 4258 N9 A B 198 -876.514 20.092 88.897 1.00855.43 N ATOM 4259 C8 A B 198 -876.477 18.901 89.591 1.00855.43 C ATOM 4260 N7 A B 198 -877.647 18.519 90.051 1.00855.43 N ATOM 4261 C5 A B 198 -878.507 19.530 89.638 1.00855.43 C ATOM 4262 C6 A B 198 -879.890 19.729 89.822 1.00855.43 C ATOM 4263 N6 A B 198 -880.674 18.908 90.518 1.00855.43 N ATOM 4264 N1 A B 198 -880.441 20.829 89.264 1.00855.43 N ATOM 4265 C2 A B 198 -879.654 21.670 88.587 1.00855.43 C ATOM 4266 N3 A B 198 -878.344 21.601 88.361 1.00855.43 N ATOM 4267 C4 A B 198 -877.826 20.493 88.919 1.00855.43 C ATOM 4268 P A B 199 -871.266 22.055 88.656 1.00855.43 P ATOM 4269 O1P A B 199 -871.219 22.957 89.834 1.00855.43 O ATOM 4270 O2P A B 199 -871.970 22.491 87.425 1.00855.43 O ATOM 4271 O5* A B 199 -869.771 21.694 88.236 1.00855.43 O ATOM 4272 C5* A B 199 -869.282 20.373 88.424 1.00855.43 C ATOM 4273 C4* A B 199 -868.794 19.801 87.115 1.00855.43 C ATOM 4274 O4* A B 199 -869.907 19.716 86.186 1.00855.43 O ATOM 4275 C3* A B 199 -867.780 20.601 86.320 1.00855.43 C ATOM 4276 O3* A B 199 -866.476 20.302 86.803 1.00855.43 O ATOM 4277 C2* A B 199 -867.947 20.122 84.880 1.00855.43 C ATOM 4278 O2* A B 199 -867.114 19.018 84.585 1.00855.43 O ATOM 4279 C1* A B 199 -869.407 19.662 84.862 1.00855.43 C ATOM 4280 N9 A B 199 -870.286 20.424 83.969 1.00855.43 N ATOM 4281 C8 A B 199 -870.474 21.782 83.836 1.00855.43 C ATOM 4282 N7 A B 199 -871.353 22.107 82.907 1.00855.43 N ATOM 4283 C5 A B 199 -871.765 20.879 82.404 1.00855.43 C ATOM 4284 C6 A B 199 -872.682 20.527 81.398 1.00855.43 C ATOM 4285 N6 A B 199 -873.375 21.418 80.686 1.00855.43 N ATOM 4286 N1 A B 199 -872.865 19.214 81.144 1.00855.43 N ATOM 4287 C2 A B 199 -872.166 18.319 81.855 1.00855.43 C ATOM 4288 N3 A B 199 -871.277 18.523 82.820 1.00855.43 N ATOM 4289 C4 A B 199 -871.119 19.837 83.049 1.00855.43 C ATOM 4290 P A B 200 -865.402 21.485 86.978 1.00855.43 P ATOM 4291 O1P A B 200 -864.143 20.863 87.466 1.00855.43 O ATOM 4292 O2P A B 200 -866.025 22.588 87.749 1.00855.43 O ATOM 4293 O5* A B 200 -865.138 21.995 85.493 1.00855.43 O ATOM 4294 C5* A B 200 -864.788 21.090 84.449 1.00855.43 C ATOM 4295 C4* A B 200 -864.244 21.852 83.265 1.00855.43 C ATOM 4296 O4* A B 200 -863.049 22.571 83.648 1.00855.43 O ATOM 4297 C3* A B 200 -863.846 21.018 82.060 1.00855.43 C ATOM 4298 O3* A B 200 -864.977 20.796 81.228 1.00855.43 O ATOM 4299 C2* A B 200 -862.800 21.891 81.374 1.00855.43 C ATOM 4300 O2* A B 200 -863.377 22.843 80.505 1.00855.43 O ATOM 4301 C1* A B 200 -862.149 22.609 82.560 1.00855.43 C ATOM 4302 N9 A B 200 -860.889 22.011 82.997 1.00855.43 N ATOM 4303 C8 A B 200 -860.686 20.759 83.522 1.00855.43 C ATOM 4304 N7 A B 200 -859.435 20.512 83.830 1.00855.43 N ATOM 4305 C5 A B 200 -858.768 21.679 83.477 1.00855.43 C ATOM 4306 C6 A B 200 -857.418 22.058 83.554 1.00855.43 C ATOM 4307 N6 A B 200 -856.453 21.268 84.022 1.00855.43 N ATOM 4308 N1 A B 200 -857.089 23.295 83.122 1.00855.43 N ATOM 4309 C2 A B 200 -858.058 24.091 82.649 1.00855.43 C ATOM 4310 N3 A B 200 -859.361 23.846 82.526 1.00855.43 N ATOM 4311 C4 A B 200 -859.653 22.609 82.965 1.00855.43 C ATOM 4312 P G B 201 -864.780 20.173 79.760 1.00855.43 P ATOM 4313 O1P G B 201 -863.553 19.333 79.786 1.00855.43 O ATOM 4314 O2P G B 201 -864.899 21.264 78.762 1.00855.43 O ATOM 4315 O5* G B 201 -866.035 19.211 79.592 1.00855.43 O ATOM 4316 C5* G B 201 -866.086 17.946 80.242 1.00855.43 C ATOM 4317 C4* G B 201 -867.435 17.310 80.027 1.00855.43 C ATOM 4318 O4* G B 201 -868.474 18.238 80.429 1.00855.43 O ATOM 4319 C3* G B 201 -867.800 16.924 78.599 1.00855.43 C ATOM 4320 O3* G B 201 -867.249 15.662 78.247 1.00855.43 O ATOM 4321 C2* G B 201 -869.320 16.917 78.634 1.00855.43 C ATOM 4322 O2* G B 201 -869.844 15.708 79.150 1.00855.43 O ATOM 4323 C1* G B 201 -869.616 18.059 79.607 1.00855.43 C ATOM 4324 N9 G B 201 -869.889 19.321 78.922 1.00855.43 N ATOM 4325 C8 G B 201 -869.025 20.368 78.729 1.00855.43 C ATOM 4326 N7 G B 201 -869.561 21.361 78.070 1.00855.43 N ATOM 4327 C5 G B 201 -870.859 20.943 77.814 1.00855.43 C ATOM 4328 C6 G B 201 -871.925 21.594 77.133 1.00855.43 C ATOM 4329 O6 G B 201 -871.932 22.715 76.599 1.00855.43 O ATOM 4330 N1 G B 201 -873.072 20.808 77.109 1.00855.43 N ATOM 4331 C2 G B 201 -873.181 19.557 77.663 1.00855.43 C ATOM 4332 N2 G B 201 -874.368 18.952 77.531 1.00855.43 N ATOM 4333 N3 G B 201 -872.200 18.940 78.298 1.00855.43 N ATOM 4334 C4 G B 201 -871.076 19.686 78.336 1.00855.43 C ATOM 4335 P A B 202 -867.094 15.270 76.694 1.00855.43 P ATOM 4336 O1P A B 202 -866.080 14.188 76.605 1.00855.43 O ATOM 4337 O2P A B 202 -866.900 16.521 75.914 1.00855.43 O ATOM 4338 O5* A B 202 -868.511 14.655 76.308 1.00855.43 O ATOM 4339 C5* A B 202 -868.767 13.266 76.481 1.00855.43 C ATOM 4340 C4* A B 202 -870.094 12.890 75.861 1.00855.43 C ATOM 4341 O4* A B 202 -871.141 13.749 76.379 1.00855.43 O ATOM 4342 C3* A B 202 -870.159 13.029 74.343 1.00855.43 C ATOM 4343 O3* A B 202 -869.734 11.836 73.698 1.00855.43 O ATOM 4344 C2* A B 202 -871.640 13.302 74.096 1.00855.43 C ATOM 4345 O2* A B 202 -872.408 12.119 74.070 1.00855.43 O ATOM 4346 C1* A B 202 -872.020 14.117 75.330 1.00855.43 C ATOM 4347 N9 A B 202 -871.905 15.554 75.094 1.00855.43 N ATOM 4348 C8 A B 202 -871.006 16.439 75.640 1.00855.43 C ATOM 4349 N7 A B 202 -871.162 17.671 75.223 1.00855.43 N ATOM 4350 C5 A B 202 -872.235 17.595 74.343 1.00855.43 C ATOM 4351 C6 A B 202 -872.897 18.569 73.569 1.00855.43 C ATOM 4352 N6 A B 202 -872.560 19.859 73.553 1.00855.43 N ATOM 4353 N1 A B 202 -873.935 18.159 72.803 1.00855.43 N ATOM 4354 C2 A B 202 -874.274 16.863 72.820 1.00855.43 C ATOM 4355 N3 A B 202 -873.728 15.860 73.506 1.00855.43 N ATOM 4356 C4 A B 202 -872.703 16.299 74.257 1.00855.43 C ATOM 4357 P G B 203 -869.056 11.916 72.240 1.00855.43 P ATOM 4358 O1P G B 203 -868.826 10.518 71.789 1.00855.43 O ATOM 4359 O2P G B 203 -867.913 12.864 72.304 1.00855.43 O ATOM 4360 O5* G B 203 -870.187 12.552 71.314 1.00855.43 O ATOM 4361 C5* G B 203 -871.417 11.864 71.099 1.00855.43 C ATOM 4362 C4* G B 203 -872.422 12.761 70.410 1.00855.43 C ATOM 4363 O4* G B 203 -872.566 14.006 71.147 1.00855.43 O ATOM 4364 C3* G B 203 -872.077 13.182 68.995 1.00855.43 C ATOM 4365 O3* G B 203 -872.498 12.199 68.053 1.00855.43 O ATOM 4366 C2* G B 203 -872.865 14.478 68.829 1.00855.43 C ATOM 4367 O2* G B 203 -874.220 14.251 68.494 1.00855.43 O ATOM 4368 C1* G B 203 -872.802 15.067 70.239 1.00855.43 C ATOM 4369 N9 G B 203 -871.744 16.064 70.374 1.00855.43 N ATOM 4370 C8 G B 203 -870.675 16.047 71.234 1.00855.43 C ATOM 4371 N7 G B 203 -869.897 17.089 71.105 1.00855.43 N ATOM 4372 C5 G B 203 -870.498 17.843 70.104 1.00855.43 C ATOM 4373 C6 G B 203 -870.117 19.085 69.530 1.00855.43 C ATOM 4374 O6 G B 203 -869.136 19.792 69.799 1.00855.43 O ATOM 4375 N1 G B 203 -871.011 19.488 68.545 1.00855.43 N ATOM 4376 C2 G B 203 -872.129 18.792 68.157 1.00855.43 C ATOM 4377 N2 G B 203 -872.870 19.348 67.188 1.00855.43 N ATOM 4378 N3 G B 203 -872.494 17.635 68.683 1.00855.43 N ATOM 4379 C4 G B 203 -871.638 17.222 69.644 1.00855.43 C ATOM 4380 P A B 204 -871.547 11.821 66.814 1.00855.43 P ATOM 4381 O1P A B 204 -872.016 10.520 66.278 1.00855.43 O ATOM 4382 O2P A B 204 -870.134 11.969 67.251 1.00855.43 O ATOM 4383 O5* A B 204 -871.853 12.944 65.726 1.00855.43 O ATOM 4384 C5* A B 204 -873.172 13.454 65.558 1.00855.43 C ATOM 4385 C4* A B 204 -873.135 14.924 65.202 1.00855.43 C ATOM 4386 O4* A B 204 -872.388 15.667 66.197 1.00855.43 O ATOM 4387 C3* A B 204 -872.480 15.252 63.861 1.00855.43 C ATOM 4388 O3* A B 204 -873.418 15.143 62.791 1.00855.43 O ATOM 4389 C2* A B 204 -871.983 16.680 64.068 1.00855.43 C ATOM 4390 O2* A B 204 -872.979 17.647 63.809 1.00855.43 O ATOM 4391 C1* A B 204 -871.650 16.695 65.563 1.00855.43 C ATOM 4392 N9 A B 204 -870.234 16.526 65.895 1.00855.43 N ATOM 4393 C8 A B 204 -869.532 15.353 66.042 1.00855.43 C ATOM 4394 N7 A B 204 -868.278 15.529 66.382 1.00855.43 N ATOM 4395 C5 A B 204 -868.139 16.908 66.458 1.00855.43 C ATOM 4396 C6 A B 204 -867.051 17.735 66.780 1.00855.43 C ATOM 4397 N6 A B 204 -865.840 17.275 67.105 1.00855.43 N ATOM 4398 N1 A B 204 -867.250 19.071 66.762 1.00855.43 N ATOM 4399 C2 A B 204 -868.464 19.534 66.442 1.00855.43 C ATOM 4400 N3 A B 204 -869.568 18.859 66.125 1.00855.43 N ATOM 4401 C4 A B 204 -869.335 17.534 66.152 1.00855.43 C ATOM 4402 P A B 205 -872.967 15.493 61.287 1.00855.43 P ATOM 4403 O1P A B 205 -873.914 14.797 60.381 1.00855.43 O ATOM 4404 O2P A B 205 -871.510 15.248 61.151 1.00855.43 O ATOM 4405 O5* A B 205 -873.235 17.058 61.162 1.00855.43 O ATOM 4406 C5* A B 205 -872.831 17.776 60.002 1.00855.43 C ATOM 4407 C4* A B 205 -873.646 19.041 59.851 1.00855.43 C ATOM 4408 O4* A B 205 -875.056 18.701 59.800 1.00855.43 O ATOM 4409 C3* A B 205 -873.579 20.051 60.979 1.00855.43 C ATOM 4410 O3* A B 205 -872.426 20.873 60.841 1.00855.43 O ATOM 4411 C2* A B 205 -874.870 20.852 60.818 1.00855.43 C ATOM 4412 O2* A B 205 -874.738 21.911 59.894 1.00855.43 O ATOM 4413 C1* A B 205 -875.826 19.800 60.253 1.00855.43 C ATOM 4414 N9 A B 205 -876.794 19.315 61.235 1.00855.43 N ATOM 4415 C8 A B 205 -876.637 18.310 62.156 1.00855.43 C ATOM 4416 N7 A B 205 -877.692 18.114 62.912 1.00855.43 N ATOM 4417 C5 A B 205 -878.607 19.052 62.453 1.00855.43 C ATOM 4418 C6 A B 205 -879.923 19.354 62.841 1.00855.43 C ATOM 4419 N6 A B 205 -880.572 18.725 63.825 1.00855.43 N ATOM 4420 N1 A B 205 -880.560 20.346 62.180 1.00855.43 N ATOM 4421 C2 A B 205 -879.910 20.979 61.195 1.00855.43 C ATOM 4422 N3 A B 205 -878.674 20.786 60.741 1.00855.43 N ATOM 4423 C4 A B 205 -878.070 19.792 61.418 1.00855.43 C ATOM 4424 P U B 206 -871.273 20.835 61.961 1.00855.43 P ATOM 4425 O1P U B 206 -869.985 21.141 61.287 1.00855.43 O ATOM 4426 O2P U B 206 -871.415 19.571 62.731 1.00855.43 O ATOM 4427 O5* U B 206 -871.622 22.046 62.932 1.00855.43 O ATOM 4428 C5* U B 206 -872.970 22.336 63.294 1.00855.43 C ATOM 4429 C4* U B 206 -873.173 23.831 63.385 1.00855.43 C ATOM 4430 O4* U B 206 -872.451 24.481 62.307 1.00855.43 O ATOM 4431 C3* U B 206 -874.617 24.320 63.261 1.00855.43 C ATOM 4432 O3* U B 206 -875.284 24.328 64.518 1.00855.43 O ATOM 4433 C2* U B 206 -874.447 25.736 62.711 1.00855.43 C ATOM 4434 O2* U B 206 -874.219 26.689 63.730 1.00855.43 O ATOM 4435 C1* U B 206 -873.184 25.605 61.857 1.00855.43 C ATOM 4436 N1 U B 206 -873.405 25.482 60.410 1.00855.43 N ATOM 4437 C2 U B 206 -872.300 25.236 59.618 1.00855.43 C ATOM 4438 O2 U B 206 -871.171 25.139 60.069 1.00855.43 O ATOM 4439 N3 U B 206 -872.561 25.116 58.275 1.00855.43 N ATOM 4440 C4 U B 206 -873.790 25.210 57.655 1.00855.43 C ATOM 4441 O4 U B 206 -873.868 25.049 56.435 1.00855.43 O ATOM 4442 C5 U B 206 -874.885 25.473 58.543 1.00855.43 C ATOM 4443 C6 U B 206 -874.661 25.597 59.857 1.00855.43 C ATOM 4444 P U B 207 -876.878 24.496 64.582 1.00855.43 P ATOM 4445 O1P U B 207 -877.415 24.317 63.207 1.00855.43 O ATOM 4446 O2P U B 207 -877.191 25.735 65.337 1.00855.43 O ATOM 4447 O5* U B 207 -877.347 23.249 65.460 1.00855.43 O ATOM 4448 C5* U B 207 -877.846 23.436 66.778 1.00855.43 C ATOM 4449 C4* U B 207 -878.147 22.103 67.424 1.00855.43 C ATOM 4450 O4* U B 207 -876.984 21.239 67.336 1.00855.43 O ATOM 4451 C3* U B 207 -878.519 22.110 68.905 1.00855.43 C ATOM 4452 O3* U B 207 -879.888 22.418 69.138 1.00855.43 O ATOM 4453 C2* U B 207 -878.157 20.690 69.341 1.00855.43 C ATOM 4454 O2* U B 207 -879.177 19.755 69.048 1.00855.43 O ATOM 4455 C1* U B 207 -876.931 20.394 68.471 1.00855.43 C ATOM 4456 N1 U B 207 -875.651 20.623 69.158 1.00855.43 N ATOM 4457 C2 U B 207 -875.080 19.559 69.837 1.00855.43 C ATOM 4458 O2 U B 207 -875.589 18.454 69.876 1.00855.43 O ATOM 4459 N3 U B 207 -873.892 19.839 70.463 1.00855.43 N ATOM 4460 C4 U B 207 -873.224 21.049 70.472 1.00855.43 C ATOM 4461 O4 U B 207 -872.147 21.142 71.063 1.00855.43 O ATOM 4462 C5 U B 207 -873.875 22.098 69.746 1.00855.43 C ATOM 4463 C6 U B 207 -875.036 21.853 69.130 1.00855.43 C ATOM 4464 P C B 208 -880.343 22.985 70.571 1.00855.43 P ATOM 4465 O1P C B 208 -881.827 23.067 70.570 1.00855.43 O ATOM 4466 O2P C B 208 -879.542 24.199 70.873 1.00855.43 O ATOM 4467 O5* C B 208 -879.912 21.837 71.586 1.00855.43 O ATOM 4468 C5* C B 208 -880.660 20.629 71.663 1.00855.43 C ATOM 4469 C4* C B 208 -879.932 19.615 72.512 1.00855.43 C ATOM 4470 O4* C B 208 -878.527 19.579 72.133 1.00855.43 O ATOM 4471 C3* C B 208 -879.919 19.846 74.012 1.00855.43 C ATOM 4472 O3* C B 208 -881.106 19.346 74.618 1.00855.43 O ATOM 4473 C2* C B 208 -878.683 19.073 74.457 1.00855.43 C ATOM 4474 O2* C B 208 -878.935 17.690 74.620 1.00855.43 O ATOM 4475 C1* C B 208 -877.741 19.284 73.272 1.00855.43 C ATOM 4476 N1 C B 208 -876.796 20.389 73.503 1.00855.43 N ATOM 4477 C2 C B 208 -875.780 20.206 74.444 1.00855.43 C ATOM 4478 O2 C B 208 -875.712 19.125 75.043 1.00855.43 O ATOM 4479 N3 C B 208 -874.904 21.208 74.677 1.00855.43 N ATOM 4480 C4 C B 208 -875.014 22.360 74.014 1.00855.43 C ATOM 4481 N4 C B 208 -874.120 23.316 74.280 1.00855.43 N ATOM 4482 C5 C B 208 -876.041 22.576 73.050 1.00855.43 C ATOM 4483 C6 C B 208 -876.904 21.574 72.826 1.00855.43 C ATOM 4484 P G B 209 -881.546 19.883 76.070 1.00855.43 P ATOM 4485 O1P G B 209 -882.436 18.859 76.672 1.00855.43 O ATOM 4486 O2P G B 209 -882.027 21.280 75.921 1.00855.43 O ATOM 4487 O5* G B 209 -880.189 19.904 76.904 1.00855.43 O ATOM 4488 C5* G B 209 -880.072 19.168 78.115 1.00855.43 C ATOM 4489 C4* G B 209 -878.663 19.241 78.650 1.00855.43 C ATOM 4490 O4* G B 209 -878.321 20.612 78.982 1.00855.43 O ATOM 4491 C3* G B 209 -878.417 18.462 79.931 1.00855.43 C ATOM 4492 O3* G B 209 -878.138 17.097 79.650 1.00855.43 O ATOM 4493 C2* G B 209 -877.213 19.174 80.532 1.00855.43 C ATOM 4494 O2* G B 209 -875.983 18.730 79.998 1.00855.43 O ATOM 4495 C1* G B 209 -877.457 20.623 80.101 1.00855.43 C ATOM 4496 N9 G B 209 -878.048 21.437 81.156 1.00855.43 N ATOM 4497 C8 G B 209 -879.381 21.671 81.404 1.00855.43 C ATOM 4498 N7 G B 209 -879.580 22.436 82.442 1.00855.43 N ATOM 4499 C5 G B 209 -878.301 22.727 82.901 1.00855.43 C ATOM 4500 C6 G B 209 -877.872 23.516 84.003 1.00855.43 C ATOM 4501 O6 G B 209 -878.565 24.136 84.825 1.00855.43 O ATOM 4502 N1 G B 209 -876.482 23.536 84.105 1.00855.43 N ATOM 4503 C2 G B 209 -875.613 22.879 83.255 1.00855.43 C ATOM 4504 N2 G B 209 -874.292 22.992 83.502 1.00855.43 N ATOM 4505 N3 G B 209 -876.007 22.150 82.230 1.00855.43 N ATOM 4506 C4 G B 209 -877.351 22.118 82.116 1.00855.43 C ATOM 4507 P A B 210 -878.489 15.971 80.743 1.00855.43 P ATOM 4508 O1P A B 210 -877.792 14.728 80.322 1.00855.43 O ATOM 4509 O2P A B 210 -879.958 15.954 80.960 1.00855.43 O ATOM 4510 O5* A B 210 -877.786 16.513 82.066 1.00855.43 O ATOM 4511 C5* A B 210 -877.579 15.642 83.173 1.00855.43 C ATOM 4512 C4* A B 210 -877.154 16.429 84.391 1.00855.43 C ATOM 4513 O4* A B 210 -878.142 17.445 84.689 1.00855.43 O ATOM 4514 C3* A B 210 -877.044 15.607 85.659 1.00855.43 C ATOM 4515 O3* A B 210 -875.779 14.961 85.737 1.00855.43 O ATOM 4516 C2* A B 210 -877.277 16.639 86.755 1.00855.43 C ATOM 4517 O2* A B 210 -876.109 17.372 87.069 1.00855.43 O ATOM 4518 C1* A B 210 -878.304 17.564 86.091 1.00855.43 C ATOM 4519 N9 A B 210 -879.689 17.197 86.380 1.00855.43 N ATOM 4520 C8 A B 210 -880.729 17.280 85.490 1.00855.43 C ATOM 4521 N7 A B 210 -881.886 16.935 85.989 1.00855.43 N ATOM 4522 C5 A B 210 -881.593 16.593 87.300 1.00855.43 C ATOM 4523 C6 A B 210 -882.406 16.153 88.353 1.00855.43 C ATOM 4524 N6 A B 210 -883.723 16.013 88.248 1.00855.43 N ATOM 4525 N1 A B 210 -881.811 15.877 89.535 1.00855.43 N ATOM 4526 C2 A B 210 -880.484 16.062 89.639 1.00855.43 C ATOM 4527 N3 A B 210 -879.614 16.492 88.719 1.00855.43 N ATOM 4528 C4 A B 210 -880.239 16.739 87.558 1.00855.43 C ATOM 4529 P U B 211 -875.475 13.697 84.792 1.00855.43 P ATOM 4530 O1P U B 211 -874.627 14.168 83.669 1.00855.43 O ATOM 4531 O2P U B 211 -876.765 13.020 84.500 1.00855.43 O ATOM 4532 O5* U B 211 -874.604 12.731 85.709 1.00855.43 O ATOM 4533 C5* U B 211 -874.273 11.415 85.276 1.00855.43 C ATOM 4534 C4* U B 211 -874.586 10.411 86.362 1.00855.43 C ATOM 4535 O4* U B 211 -875.726 10.862 87.135 1.00855.43 O ATOM 4536 C3* U B 211 -874.966 9.030 85.863 1.00855.43 C ATOM 4537 O3* U B 211 -873.807 8.234 85.632 1.00855.43 O ATOM 4538 C2* U B 211 -875.827 8.482 86.999 1.00855.43 C ATOM 4539 O2* U B 211 -875.050 7.913 88.033 1.00855.43 O ATOM 4540 C1* U B 211 -876.514 9.747 87.527 1.00855.43 C ATOM 4541 N1 U B 211 -877.886 9.964 87.048 1.00855.43 N ATOM 4542 C2 U B 211 -878.951 9.544 87.846 1.00855.43 C ATOM 4543 O2 U B 211 -878.814 8.996 88.926 1.00855.43 O ATOM 4544 N3 U B 211 -880.196 9.798 87.329 1.00855.43 N ATOM 4545 C4 U B 211 -880.488 10.417 86.135 1.00855.43 C ATOM 4546 O4 U B 211 -881.668 10.595 85.825 1.00855.43 O ATOM 4547 C5 U B 211 -879.350 10.818 85.372 1.00855.43 C ATOM 4548 C6 U B 211 -878.120 10.584 85.841 1.00855.43 C ATOM 4549 P U B 212 -873.842 7.065 84.528 1.00855.43 P ATOM 4550 O1P U B 212 -872.518 6.393 84.553 1.00855.43 O ATOM 4551 O2P U B 212 -874.358 7.629 83.254 1.00855.43 O ATOM 4552 O5* U B 212 -874.917 6.040 85.100 1.00855.43 O ATOM 4553 C5* U B 212 -874.650 5.302 86.287 1.00855.43 C ATOM 4554 C4* U B 212 -875.898 4.610 86.774 1.00855.43 C ATOM 4555 O4* U B 212 -876.926 5.592 87.074 1.00855.43 O ATOM 4556 C3* U B 212 -876.566 3.649 85.808 1.00855.43 C ATOM 4557 O3* U B 212 -875.939 2.372 85.826 1.00855.43 O ATOM 4558 C2* U B 212 -878.000 3.595 86.331 1.00855.43 C ATOM 4559 O2* U B 212 -878.145 2.702 87.418 1.00855.43 O ATOM 4560 C1* U B 212 -878.204 5.022 86.839 1.00855.43 C ATOM 4561 N1 U B 212 -878.949 5.875 85.901 1.00855.43 N ATOM 4562 C2 U B 212 -880.327 5.807 85.939 1.00855.43 C ATOM 4563 O2 U B 212 -880.930 5.068 86.697 1.00855.43 O ATOM 4564 N3 U B 212 -880.977 6.634 85.055 1.00855.43 N ATOM 4565 C4 U B 212 -880.397 7.494 84.150 1.00855.43 C ATOM 4566 O4 U B 212 -881.119 8.179 83.420 1.00855.43 O ATOM 4567 C5 U B 212 -878.966 7.501 84.160 1.00855.43 C ATOM 4568 C6 U B 212 -878.305 6.709 85.015 1.00855.43 C ATOM 4569 P C B 213 -875.914 1.485 84.486 1.00855.43 P ATOM 4570 O1P C B 213 -874.973 0.359 84.712 1.00855.43 O ATOM 4571 O2P C B 213 -875.708 2.389 83.327 1.00855.43 O ATOM 4572 O5* C B 213 -877.389 0.897 84.409 1.00855.43 O ATOM 4573 C5* C B 213 -877.797 -0.156 85.275 1.00855.43 C ATOM 4574 C4* C B 213 -879.287 -0.368 85.176 1.00855.43 C ATOM 4575 O4* C B 213 -880.013 0.827 85.571 1.00855.43 O ATOM 4576 C3* C B 213 -879.851 -0.710 83.817 1.00855.43 C ATOM 4577 O3* C B 213 -879.638 -2.088 83.546 1.00855.43 O ATOM 4578 C2* C B 213 -881.321 -0.335 83.954 1.00855.43 C ATOM 4579 O2* C B 213 -882.077 -1.352 84.582 1.00855.43 O ATOM 4580 C1* C B 213 -881.247 0.894 84.865 1.00855.43 C ATOM 4581 N1 C B 213 -881.289 2.163 84.107 1.00855.43 N ATOM 4582 C2 C B 213 -882.533 2.768 83.842 1.00855.43 C ATOM 4583 O2 C B 213 -883.568 2.242 84.259 1.00855.43 O ATOM 4584 N3 C B 213 -882.572 3.914 83.131 1.00855.43 N ATOM 4585 C4 C B 213 -881.444 4.458 82.678 1.00855.43 C ATOM 4586 N4 C B 213 -881.548 5.586 81.959 1.00855.43 N ATOM 4587 C5 C B 213 -880.169 3.875 82.937 1.00855.43 C ATOM 4588 C6 C B 213 -880.138 2.738 83.648 1.00855.43 C ATOM 4589 P C B 214 -878.739 -2.503 82.283 1.00855.43 P ATOM 4590 O1P C B 214 -877.831 -3.599 82.708 1.00855.43 O ATOM 4591 O2P C B 214 -878.168 -1.265 81.694 1.00855.43 O ATOM 4592 O5* C B 214 -879.809 -3.094 81.266 1.00855.43 O ATOM 4593 C5* C B 214 -880.664 -4.157 81.665 1.00855.43 C ATOM 4594 C4* C B 214 -882.105 -3.795 81.422 1.00855.43 C ATOM 4595 O4* C B 214 -882.460 -2.574 82.121 1.00855.43 O ATOM 4596 C3* C B 214 -882.441 -3.537 79.964 1.00855.43 C ATOM 4597 O3* C B 214 -882.707 -4.730 79.243 1.00855.43 O ATOM 4598 C2* C B 214 -883.656 -2.626 80.060 1.00855.43 C ATOM 4599 O2* C B 214 -884.860 -3.345 80.256 1.00855.43 O ATOM 4600 C1* C B 214 -883.338 -1.805 81.312 1.00855.43 C ATOM 4601 N1 C B 214 -882.684 -0.527 80.979 1.00855.43 N ATOM 4602 C2 C B 214 -883.348 0.671 81.281 1.00855.43 C ATOM 4603 O2 C B 214 -884.451 0.624 81.844 1.00855.43 O ATOM 4604 N3 C B 214 -882.770 1.849 80.948 1.00855.43 N ATOM 4605 C4 C B 214 -881.580 1.860 80.349 1.00855.43 C ATOM 4606 N4 C B 214 -881.054 3.046 80.027 1.00855.43 N ATOM 4607 C5 C B 214 -880.875 0.657 80.043 1.00855.43 C ATOM 4608 C6 C B 214 -881.458 -0.500 80.375 1.00855.43 C ATOM 4609 P G B 215 -882.306 -4.810 77.688 1.00855.43 P ATOM 4610 O1P G B 215 -882.496 -6.215 77.246 1.00855.43 O ATOM 4611 O2P G B 215 -880.984 -4.157 77.513 1.00855.43 O ATOM 4612 O5* G B 215 -883.408 -3.907 76.980 1.00855.43 O ATOM 4613 C5* G B 215 -884.746 -4.373 76.845 1.00855.43 C ATOM 4614 C4* G B 215 -885.614 -3.328 76.191 1.00855.43 C ATOM 4615 O4* G B 215 -885.657 -2.119 76.993 1.00855.43 O ATOM 4616 C3* G B 215 -885.166 -2.869 74.829 1.00855.43 C ATOM 4617 O3* G B 215 -885.659 -3.766 73.840 1.00855.43 O ATOM 4618 C2* G B 215 -885.809 -1.498 74.695 1.00855.43 C ATOM 4619 O2* G B 215 -887.142 -1.598 74.247 1.00855.43 O ATOM 4620 C1* G B 215 -885.783 -0.993 76.143 1.00855.43 C ATOM 4621 N9 G B 215 -884.665 -0.086 76.393 1.00855.43 N ATOM 4622 C8 G B 215 -883.512 -0.359 77.091 1.00855.43 C ATOM 4623 N7 G B 215 -882.687 0.653 77.128 1.00855.43 N ATOM 4624 C5 G B 215 -883.333 1.652 76.415 1.00855.43 C ATOM 4625 C6 G B 215 -882.925 2.980 76.111 1.00855.43 C ATOM 4626 O6 G B 215 -881.874 3.554 76.420 1.00855.43 O ATOM 4627 N1 G B 215 -883.886 3.652 75.366 1.00855.43 N ATOM 4628 C2 G B 215 -885.086 3.124 74.960 1.00855.43 C ATOM 4629 N2 G B 215 -885.877 3.938 74.246 1.00855.43 N ATOM 4630 N3 G B 215 -885.477 1.888 75.233 1.00855.43 N ATOM 4631 C4 G B 215 -884.559 1.213 75.959 1.00855.43 C ATOM 4632 P U B 216 -884.663 -4.844 73.181 1.00855.43 P ATOM 4633 O1P U B 216 -885.491 -5.988 72.735 1.00855.43 O ATOM 4634 O2P U B 216 -883.541 -5.074 74.126 1.00855.43 O ATOM 4635 O5* U B 216 -884.084 -4.111 71.890 1.00855.43 O ATOM 4636 C5* U B 216 -884.921 -3.820 70.772 1.00855.43 C ATOM 4637 C4* U B 216 -884.439 -2.570 70.071 1.00855.43 C ATOM 4638 O4* U B 216 -884.330 -1.507 71.052 1.00855.43 O ATOM 4639 C3* U B 216 -883.058 -2.637 69.446 1.00855.43 C ATOM 4640 O3* U B 216 -883.092 -3.194 68.135 1.00855.43 O ATOM 4641 C2* U B 216 -882.625 -1.177 69.427 1.00855.43 C ATOM 4642 O2* U B 216 -883.156 -0.463 68.328 1.00855.43 O ATOM 4643 C1* U B 216 -883.243 -0.658 70.726 1.00855.43 C ATOM 4644 N1 U B 216 -882.286 -0.705 71.840 1.00855.43 N ATOM 4645 C2 U B 216 -881.565 0.438 72.123 1.00855.43 C ATOM 4646 O2 U B 216 -881.702 1.478 71.497 1.00855.43 O ATOM 4647 N3 U B 216 -880.677 0.319 73.160 1.00855.43 N ATOM 4648 C4 U B 216 -880.446 -0.804 73.931 1.00855.43 C ATOM 4649 O4 U B 216 -879.599 -0.760 74.827 1.00855.43 O ATOM 4650 C5 U B 216 -881.241 -1.942 73.580 1.00855.43 C ATOM 4651 C6 U B 216 -882.110 -1.855 72.573 1.00855.43 C ATOM 4652 P U B 217 -881.811 -3.994 67.578 1.00855.43 P ATOM 4653 O1P U B 217 -882.145 -4.486 66.218 1.00855.43 O ATOM 4654 O2P U B 217 -881.380 -4.958 68.623 1.00855.43 O ATOM 4655 O5* U B 217 -880.681 -2.879 67.437 1.00855.43 O ATOM 4656 C5* U B 217 -880.845 -1.779 66.543 1.00855.43 C ATOM 4657 C4* U B 217 -879.697 -0.805 66.692 1.00855.43 C ATOM 4658 O4* U B 217 -879.568 -0.438 68.087 1.00855.43 O ATOM 4659 C3* U B 217 -878.330 -1.327 66.317 1.00855.43 C ATOM 4660 O3* U B 217 -878.126 -1.166 64.918 1.00855.43 O ATOM 4661 C2* U B 217 -877.384 -0.452 67.134 1.00855.43 C ATOM 4662 O2* U B 217 -877.097 0.777 66.499 1.00855.43 O ATOM 4663 C1* U B 217 -878.206 -0.190 68.397 1.00855.43 C ATOM 4664 N1 U B 217 -877.830 -1.054 69.524 1.00855.43 N ATOM 4665 C2 U B 217 -877.024 -0.514 70.507 1.00855.43 C ATOM 4666 O2 U B 217 -876.622 0.639 70.473 1.00855.43 O ATOM 4667 N3 U B 217 -876.704 -1.371 71.530 1.00855.43 N ATOM 4668 C4 U B 217 -877.103 -2.685 71.666 1.00855.43 C ATOM 4669 O4 U B 217 -876.716 -3.335 72.642 1.00855.43 O ATOM 4670 C5 U B 217 -877.934 -3.170 70.611 1.00855.43 C ATOM 4671 C6 U B 217 -878.263 -2.358 69.601 1.00855.43 C ATOM 4672 P A B 218 -876.984 -2.017 64.172 1.00855.43 P ATOM 4673 O1P A B 218 -876.888 -1.509 62.777 1.00855.43 O ATOM 4674 O2P A B 218 -877.245 -3.457 64.412 1.00855.43 O ATOM 4675 O5* A B 218 -875.645 -1.617 64.939 1.00855.43 O ATOM 4676 C5* A B 218 -874.499 -2.467 64.910 1.00855.43 C ATOM 4677 C4* A B 218 -874.284 -3.093 66.265 1.00855.43 C ATOM 4678 O4* A B 218 -873.561 -2.175 67.109 1.00855.43 O ATOM 4679 C3* A B 218 -875.515 -3.476 67.092 1.00855.43 C ATOM 4680 O3* A B 218 -875.908 -4.784 66.669 1.00855.43 O ATOM 4681 C2* A B 218 -875.019 -3.436 68.541 1.00855.43 C ATOM 4682 O2* A B 218 -874.568 -4.677 69.029 1.00855.43 O ATOM 4683 C1* A B 218 -873.822 -2.481 68.459 1.00855.43 C ATOM 4684 N9 A B 218 -873.864 -1.234 69.219 1.00855.43 N ATOM 4685 C8 A B 218 -874.084 0.032 68.728 1.00855.43 C ATOM 4686 N7 A B 218 -873.990 0.973 69.633 1.00855.43 N ATOM 4687 C5 A B 218 -873.703 0.284 70.803 1.00855.43 C ATOM 4688 C6 A B 218 -873.477 0.713 72.122 1.00855.43 C ATOM 4689 N6 A B 218 -873.494 1.995 72.492 1.00855.43 N ATOM 4690 N1 A B 218 -873.224 -0.230 73.056 1.00855.43 N ATOM 4691 C2 A B 218 -873.197 -1.513 72.676 1.00855.43 C ATOM 4692 N3 A B 218 -873.386 -2.043 71.470 1.00855.43 N ATOM 4693 C4 A B 218 -873.639 -1.077 70.567 1.00855.43 C ATOM 4694 P G B 219 -877.250 -5.457 67.241 1.00855.43 P ATOM 4695 O1P G B 219 -878.374 -5.004 66.384 1.00855.43 O ATOM 4696 O2P G B 219 -877.313 -5.242 68.708 1.00855.43 O ATOM 4697 O5* G B 219 -877.027 -7.012 66.969 1.00855.43 O ATOM 4698 C5* G B 219 -875.748 -7.517 66.584 1.00855.43 C ATOM 4699 C4* G B 219 -874.725 -7.183 67.644 1.00855.43 C ATOM 4700 O4* G B 219 -875.219 -7.556 68.946 1.00855.43 O ATOM 4701 C3* G B 219 -873.323 -7.761 67.523 1.00855.43 C ATOM 4702 O3* G B 219 -872.533 -6.940 66.658 1.00855.43 O ATOM 4703 C2* G B 219 -872.825 -7.697 68.973 1.00855.43 C ATOM 4704 O2* G B 219 -872.225 -6.458 69.290 1.00855.43 O ATOM 4705 C1* G B 219 -874.121 -7.836 69.783 1.00855.43 C ATOM 4706 N9 G B 219 -874.367 -9.092 70.485 1.00855.43 N ATOM 4707 C8 G B 219 -875.560 -9.755 70.634 1.00855.43 C ATOM 4708 N7 G B 219 -875.459 -10.832 71.364 1.00855.43 N ATOM 4709 C5 G B 219 -874.117 -10.891 71.710 1.00855.43 C ATOM 4710 C6 G B 219 -873.405 -11.835 72.500 1.00855.43 C ATOM 4711 O6 G B 219 -873.838 -12.841 73.077 1.00855.43 O ATOM 4712 N1 G B 219 -872.053 -11.513 72.589 1.00855.43 N ATOM 4713 C2 G B 219 -871.461 -10.423 72.000 1.00855.43 C ATOM 4714 N2 G B 219 -870.142 -10.285 72.201 1.00855.43 N ATOM 4715 N3 G B 219 -872.112 -9.535 71.268 1.00855.43 N ATOM 4716 C4 G B 219 -873.426 -9.830 71.166 1.00855.43 C ATOM 4717 P U B 220 -871.079 -7.427 66.179 1.00855.43 P ATOM 4718 O1P U B 220 -871.280 -8.503 65.172 1.00855.43 O ATOM 4719 O2P U B 220 -870.259 -7.696 67.385 1.00855.43 O ATOM 4720 O5* U B 220 -870.477 -6.150 65.434 1.00855.43 O ATOM 4721 C5* U B 220 -870.945 -5.762 64.141 1.00855.43 C ATOM 4722 C4* U B 220 -870.840 -4.261 63.957 1.00855.43 C ATOM 4723 O4* U B 220 -871.675 -3.584 64.930 1.00855.43 O ATOM 4724 C3* U B 220 -869.445 -3.688 64.141 1.00855.43 C ATOM 4725 O3* U B 220 -868.749 -3.699 62.896 1.00855.43 O ATOM 4726 C2* U B 220 -869.715 -2.259 64.605 1.00855.43 C ATOM 4727 O2* U B 220 -869.940 -1.375 63.524 1.00855.43 O ATOM 4728 C1* U B 220 -871.014 -2.418 65.400 1.00855.43 C ATOM 4729 N1 U B 220 -870.824 -2.556 66.852 1.00855.43 N ATOM 4730 C2 U B 220 -870.634 -1.403 67.615 1.00855.43 C ATOM 4731 O2 U B 220 -870.574 -0.278 67.141 1.00855.43 O ATOM 4732 N3 U B 220 -870.508 -1.622 68.964 1.00855.43 N ATOM 4733 C4 U B 220 -870.534 -2.834 69.615 1.00855.43 C ATOM 4734 O4 U B 220 -870.425 -2.861 70.842 1.00855.43 O ATOM 4735 C5 U B 220 -870.705 -3.969 68.765 1.00855.43 C ATOM 4736 C6 U B 220 -870.843 -3.796 67.445 1.00855.43 C ATOM 4737 P A B 221 -867.143 -3.615 62.878 1.00855.43 P ATOM 4738 O1P A B 221 -866.739 -3.319 61.478 1.00855.43 O ATOM 4739 O2P A B 221 -866.600 -4.814 63.558 1.00855.43 O ATOM 4740 O5* A B 221 -866.798 -2.337 63.765 1.00855.43 O ATOM 4741 C5* A B 221 -866.518 -1.078 63.155 1.00855.43 C ATOM 4742 C4* A B 221 -865.566 -0.274 64.013 1.00855.43 C ATOM 4743 O4* A B 221 -866.264 0.202 65.193 1.00855.43 O ATOM 4744 C3* A B 221 -864.363 -1.042 64.557 1.00855.43 C ATOM 4745 O3* A B 221 -863.266 -1.110 63.653 1.00855.43 O ATOM 4746 C2* A B 221 -864.003 -0.245 65.803 1.00855.43 C ATOM 4747 O2* A B 221 -863.204 0.887 65.515 1.00855.43 O ATOM 4748 C1* A B 221 -865.375 0.212 66.297 1.00855.43 C ATOM 4749 N9 A B 221 -865.912 -0.650 67.350 1.00855.43 N ATOM 4750 C8 A B 221 -866.971 -1.522 67.300 1.00855.43 C ATOM 4751 N7 A B 221 -867.209 -2.131 68.440 1.00855.43 N ATOM 4752 C5 A B 221 -866.241 -1.626 69.296 1.00855.43 C ATOM 4753 C6 A B 221 -865.956 -1.859 70.656 1.00855.43 C ATOM 4754 N6 A B 221 -866.666 -2.672 71.438 1.00855.43 N ATOM 4755 N1 A B 221 -864.910 -1.206 71.198 1.00855.43 N ATOM 4756 C2 A B 221 -864.206 -0.370 70.425 1.00855.43 C ATOM 4757 N3 A B 221 -864.383 -0.052 69.146 1.00855.43 N ATOM 4758 C4 A B 221 -865.428 -0.724 68.632 1.00855.43 C ATOM 4759 P G B 222 -862.349 -2.435 63.608 1.00855.43 P ATOM 4760 O1P G B 222 -861.461 -2.309 62.426 1.00855.43 O ATOM 4761 O2P G B 222 -863.228 -3.624 63.742 1.00855.43 O ATOM 4762 O5* G B 222 -861.441 -2.335 64.912 1.00855.43 O ATOM 4763 C5* G B 222 -860.758 -1.128 65.232 1.00855.43 C ATOM 4764 C4* G B 222 -860.528 -1.026 66.723 1.00855.43 C ATOM 4765 O4* G B 222 -861.798 -1.063 67.428 1.00855.43 O ATOM 4766 C3* G B 222 -859.709 -2.161 67.308 1.00855.43 C ATOM 4767 O3* G B 222 -858.320 -1.873 67.227 1.00855.43 O ATOM 4768 C2* G B 222 -860.197 -2.227 68.749 1.00855.43 C ATOM 4769 O2* G B 222 -859.560 -1.281 69.582 1.00855.43 O ATOM 4770 C1* G B 222 -861.673 -1.869 68.593 1.00855.43 C ATOM 4771 N9 G B 222 -862.472 -3.077 68.413 1.00855.43 N ATOM 4772 C8 G B 222 -862.720 -3.748 67.238 1.00855.43 C ATOM 4773 N7 G B 222 -863.432 -4.827 67.407 1.00855.43 N ATOM 4774 C5 G B 222 -863.681 -4.865 68.771 1.00855.43 C ATOM 4775 C6 G B 222 -864.398 -5.814 69.548 1.00855.43 C ATOM 4776 O6 G B 222 -864.970 -6.847 69.174 1.00855.43 O ATOM 4777 N1 G B 222 -864.412 -5.465 70.894 1.00855.43 N ATOM 4778 C2 G B 222 -863.811 -4.354 71.430 1.00855.43 C ATOM 4779 N2 G B 222 -863.941 -4.193 72.754 1.00855.43 N ATOM 4780 N3 G B 222 -863.132 -3.468 70.717 1.00855.43 N ATOM 4781 C4 G B 222 -863.110 -3.784 69.405 1.00855.43 C ATOM 4782 P C B 223 -857.275 -3.084 67.071 1.00855.43 P ATOM 4783 O1P C B 223 -855.927 -2.497 66.872 1.00855.43 O ATOM 4784 O2P C B 223 -857.820 -4.033 66.066 1.00855.43 O ATOM 4785 O5* C B 223 -857.309 -3.798 68.494 1.00855.43 O ATOM 4786 C5* C B 223 -857.052 -3.058 69.687 1.00855.43 C ATOM 4787 C4* C B 223 -857.530 -3.826 70.898 1.00855.43 C ATOM 4788 O4* C B 223 -858.937 -4.146 70.761 1.00855.43 O ATOM 4789 C3* C B 223 -856.821 -5.164 71.082 1.00855.43 C ATOM 4790 O3* C B 223 -855.644 -5.001 71.867 1.00855.43 O ATOM 4791 C2* C B 223 -857.866 -6.007 71.801 1.00855.43 C ATOM 4792 O2* C B 223 -857.862 -5.798 73.199 1.00855.43 O ATOM 4793 C1* C B 223 -859.174 -5.466 71.212 1.00855.43 C ATOM 4794 N1 C B 223 -859.683 -6.256 70.081 1.00855.43 N ATOM 4795 C2 C B 223 -860.055 -7.587 70.298 1.00855.43 C ATOM 4796 O2 C B 223 -859.925 -8.075 71.433 1.00855.43 O ATOM 4797 N3 C B 223 -860.543 -8.312 69.266 1.00855.43 N ATOM 4798 C4 C B 223 -860.667 -7.752 68.059 1.00855.43 C ATOM 4799 N4 C B 223 -861.174 -8.493 67.074 1.00855.43 N ATOM 4800 C5 C B 223 -860.284 -6.403 67.809 1.00855.43 C ATOM 4801 C6 C B 223 -859.800 -5.697 68.840 1.00855.43 C ATOM 4802 P G B 224 -854.201 -5.095 71.169 1.00855.43 P ATOM 4803 O1P G B 224 -853.227 -4.458 72.092 1.00855.43 O ATOM 4804 O2P G B 224 -854.320 -4.600 69.775 1.00855.43 O ATOM 4805 O5* G B 224 -853.895 -6.656 71.127 1.00855.43 O ATOM 4806 C5* G B 224 -854.024 -7.455 72.299 1.00855.43 C ATOM 4807 C4* G B 224 -854.796 -8.715 71.992 1.00855.43 C ATOM 4808 O4* G B 224 -856.047 -8.392 71.345 1.00855.43 O ATOM 4809 C3* G B 224 -854.113 -9.734 71.083 1.00855.43 C ATOM 4810 O3* G B 224 -853.256 -10.583 71.841 1.00855.43 O ATOM 4811 C2* G B 224 -855.295 -10.493 70.480 1.00855.43 C ATOM 4812 O2* G B 224 -855.754 -11.540 71.312 1.00855.43 O ATOM 4813 C1* G B 224 -856.376 -9.408 70.417 1.00855.43 C ATOM 4814 N9 G B 224 -856.571 -8.786 69.112 1.00855.43 N ATOM 4815 C8 G B 224 -856.004 -7.622 68.656 1.00855.43 C ATOM 4816 N7 G B 224 -856.413 -7.284 67.466 1.00855.43 N ATOM 4817 C5 G B 224 -857.297 -8.294 67.109 1.00855.43 C ATOM 4818 C6 G B 224 -858.054 -8.477 65.924 1.00855.43 C ATOM 4819 O6 G B 224 -858.098 -7.755 64.920 1.00855.43 O ATOM 4820 N1 G B 224 -858.804 -9.650 65.971 1.00855.43 N ATOM 4821 C2 G B 224 -858.819 -10.537 67.020 1.00855.43 C ATOM 4822 N2 G B 224 -859.589 -11.626 66.864 1.00855.43 N ATOM 4823 N3 G B 224 -858.124 -10.372 68.133 1.00855.43 N ATOM 4824 C4 G B 224 -857.390 -9.238 68.107 1.00855.43 C ATOM 4825 P G B 225 -851.703 -10.705 71.451 1.00855.43 P ATOM 4826 O1P G B 225 -850.934 -10.656 72.720 1.00855.43 O ATOM 4827 O2P G B 225 -851.403 -9.726 70.376 1.00855.43 O ATOM 4828 O5* G B 225 -851.569 -12.175 70.853 1.00855.43 O ATOM 4829 C5* G B 225 -851.534 -13.317 71.710 1.00855.43 C ATOM 4830 C4* G B 225 -850.379 -14.215 71.331 1.00855.43 C ATOM 4831 O4* G B 225 -850.328 -15.359 72.225 1.00855.43 O ATOM 4832 C3* G B 225 -850.456 -14.815 69.945 1.00855.43 C ATOM 4833 O3* G B 225 -849.953 -13.922 68.962 1.00855.43 O ATOM 4834 C2* G B 225 -849.601 -16.067 70.070 1.00855.43 C ATOM 4835 O2* G B 225 -848.220 -15.801 69.938 1.00855.43 O ATOM 4836 C1* G B 225 -849.909 -16.505 71.502 1.00855.43 C ATOM 4837 N9 G B 225 -850.976 -17.497 71.535 1.00855.43 N ATOM 4838 C8 G B 225 -852.319 -17.272 71.360 1.00855.43 C ATOM 4839 N7 G B 225 -853.035 -18.364 71.428 1.00855.43 N ATOM 4840 C5 G B 225 -852.106 -19.368 71.668 1.00855.43 C ATOM 4841 C6 G B 225 -852.285 -20.767 71.835 1.00855.43 C ATOM 4842 O6 G B 225 -853.334 -21.422 71.818 1.00855.43 O ATOM 4843 N1 G B 225 -851.072 -21.413 72.044 1.00855.43 N ATOM 4844 C2 G B 225 -849.847 -20.795 72.087 1.00855.43 C ATOM 4845 N2 G B 225 -848.788 -21.588 72.291 1.00855.43 N ATOM 4846 N3 G B 225 -849.670 -19.495 71.941 1.00855.43 N ATOM 4847 C4 G B 225 -850.832 -18.846 71.735 1.00855.43 C ATOM 4848 P C B 226 -850.551 -13.979 67.473 1.00855.43 P ATOM 4849 O1P C B 226 -851.124 -15.335 67.276 1.00855.43 O ATOM 4850 O2P C B 226 -849.520 -13.475 66.526 1.00855.43 O ATOM 4851 O5* C B 226 -851.753 -12.936 67.502 1.00855.43 O ATOM 4852 C5* C B 226 -852.986 -13.249 68.146 1.00855.43 C ATOM 4853 C4* C B 226 -854.133 -12.841 67.261 1.00855.43 C ATOM 4854 O4* C B 226 -854.165 -11.407 67.129 1.00855.43 O ATOM 4855 C3* C B 226 -854.111 -13.487 65.875 1.00855.43 C ATOM 4856 O3* C B 226 -855.419 -13.883 65.473 1.00855.43 O ATOM 4857 C2* C B 226 -853.599 -12.338 65.008 1.00855.43 C ATOM 4858 O2* C B 226 -854.056 -12.397 63.687 1.00855.43 O ATOM 4859 C1* C B 226 -854.037 -11.079 65.764 1.00855.43 C ATOM 4860 N1 C B 226 -853.085 -9.967 65.636 1.00855.43 N ATOM 4861 C2 C B 226 -853.514 -8.782 65.026 1.00855.43 C ATOM 4862 O2 C B 226 -854.690 -8.694 64.639 1.00855.43 O ATOM 4863 N3 C B 226 -852.633 -7.765 64.873 1.00855.43 N ATOM 4864 C4 C B 226 -851.381 -7.900 65.313 1.00855.43 C ATOM 4865 N4 C B 226 -850.544 -6.873 65.130 1.00855.43 N ATOM 4866 C5 C B 226 -850.928 -9.085 65.951 1.00855.43 C ATOM 4867 C6 C B 226 -851.803 -10.084 66.093 1.00855.43 C ATOM 4868 P G B 227 -855.612 -15.039 64.379 1.00855.43 P ATOM 4869 O1P G B 227 -854.269 -15.406 63.869 1.00855.43 O ATOM 4870 O2P G B 227 -856.672 -14.621 63.426 1.00855.43 O ATOM 4871 O5* G B 227 -856.176 -16.255 65.244 1.00855.43 O ATOM 4872 C5* G B 227 -857.445 -16.169 65.891 1.00855.43 C ATOM 4873 C4* G B 227 -857.519 -17.161 67.030 1.00855.43 C ATOM 4874 O4* G B 227 -856.295 -17.104 67.808 1.00855.43 O ATOM 4875 C3* G B 227 -858.652 -16.933 68.019 1.00855.43 C ATOM 4876 O3* G B 227 -859.830 -17.610 67.603 1.00855.43 O ATOM 4877 C2* G B 227 -858.105 -17.531 69.307 1.00855.43 C ATOM 4878 O2* G B 227 -858.300 -18.932 69.380 1.00855.43 O ATOM 4879 C1* G B 227 -856.609 -17.245 69.181 1.00855.43 C ATOM 4880 N9 G B 227 -856.137 -16.084 69.936 1.00855.43 N ATOM 4881 C8 G B 227 -855.984 -14.784 69.516 1.00855.43 C ATOM 4882 N7 G B 227 -855.433 -14.014 70.423 1.00855.43 N ATOM 4883 C5 G B 227 -855.227 -14.860 71.512 1.00855.43 C ATOM 4884 C6 G B 227 -854.596 -14.631 72.799 1.00855.43 C ATOM 4885 O6 G B 227 -854.038 -13.621 73.240 1.00855.43 O ATOM 4886 N1 G B 227 -854.626 -15.772 73.592 1.00855.43 N ATOM 4887 C2 G B 227 -855.157 -16.973 73.216 1.00855.43 C ATOM 4888 N2 G B 227 -855.111 -17.937 74.131 1.00855.43 N ATOM 4889 N3 G B 227 -855.697 -17.214 72.032 1.00855.43 N ATOM 4890 C4 G B 227 -855.697 -16.125 71.238 1.00855.43 C ATOM 4891 P A B 228 -861.173 -16.770 67.336 1.00855.43 P ATOM 4892 O1P A B 228 -861.842 -17.349 66.148 1.00855.43 O ATOM 4893 O2P A B 228 -860.817 -15.328 67.345 1.00855.43 O ATOM 4894 O5* A B 228 -862.081 -17.063 68.614 1.00855.43 O ATOM 4895 C5* A B 228 -862.734 -18.321 68.777 1.00855.43 C ATOM 4896 C4* A B 228 -862.678 -18.754 70.224 1.00855.43 C ATOM 4897 O4* A B 228 -861.310 -18.708 70.701 1.00855.43 O ATOM 4898 C3* A B 228 -863.468 -17.913 71.224 1.00855.43 C ATOM 4899 O3* A B 228 -864.838 -18.309 71.258 1.00855.43 O ATOM 4900 C2* A B 228 -862.744 -18.182 72.536 1.00855.43 C ATOM 4901 O2* A B 228 -863.189 -19.367 73.172 1.00855.43 O ATOM 4902 C1* A B 228 -861.295 -18.357 72.075 1.00855.43 C ATOM 4903 N9 A B 228 -860.476 -17.154 72.226 1.00855.43 N ATOM 4904 C8 A B 228 -860.456 -16.046 71.416 1.00855.43 C ATOM 4905 N7 A B 228 -859.604 -15.126 71.803 1.00855.43 N ATOM 4906 C5 A B 228 -859.025 -15.665 72.943 1.00855.43 C ATOM 4907 C6 A B 228 -858.041 -15.181 73.823 1.00855.43 C ATOM 4908 N6 A B 228 -857.442 -13.997 73.682 1.00855.43 N ATOM 4909 N1 A B 228 -857.691 -15.967 74.863 1.00855.43 N ATOM 4910 C2 A B 228 -858.291 -17.153 75.001 1.00855.43 C ATOM 4911 N3 A B 228 -859.229 -17.718 74.240 1.00855.43 N ATOM 4912 C4 A B 228 -859.554 -16.914 73.216 1.00855.43 C ATOM 4913 P G B 229 -865.990 -17.190 71.289 1.00855.43 P ATOM 4914 O1P G B 229 -867.190 -17.799 71.916 1.00855.43 O ATOM 4915 O2P G B 229 -866.096 -16.581 69.940 1.00855.43 O ATOM 4916 O5* G B 229 -865.415 -16.095 72.291 1.00855.43 O ATOM 4917 C5* G B 229 -865.316 -16.357 73.685 1.00855.43 C ATOM 4918 C4* G B 229 -864.386 -15.354 74.326 1.00855.43 C ATOM 4919 O4* G B 229 -863.191 -15.226 73.518 1.00855.43 O ATOM 4920 C3* G B 229 -864.921 -13.951 74.448 1.00855.43 C ATOM 4921 O3* G B 229 -865.706 -13.858 75.630 1.00855.43 O ATOM 4922 C2* G B 229 -863.655 -13.107 74.490 1.00855.43 C ATOM 4923 O2* G B 229 -863.079 -13.058 75.779 1.00855.43 O ATOM 4924 C1* G B 229 -862.737 -13.887 73.545 1.00855.43 C ATOM 4925 N9 G B 229 -862.797 -13.404 72.170 1.00855.43 N ATOM 4926 C8 G B 229 -863.814 -13.641 71.278 1.00855.43 C ATOM 4927 N7 G B 229 -863.630 -13.059 70.125 1.00855.43 N ATOM 4928 C5 G B 229 -862.417 -12.403 70.262 1.00855.43 C ATOM 4929 C6 G B 229 -861.706 -11.599 69.344 1.00855.43 C ATOM 4930 O6 G B 229 -862.024 -11.288 68.193 1.00855.43 O ATOM 4931 N1 G B 229 -860.513 -11.135 69.887 1.00855.43 N ATOM 4932 C2 G B 229 -860.060 -11.406 71.152 1.00855.43 C ATOM 4933 N2 G B 229 -858.878 -10.863 71.483 1.00855.43 N ATOM 4934 N3 G B 229 -860.718 -12.152 72.026 1.00855.43 N ATOM 4935 C4 G B 229 -861.882 -12.617 71.518 1.00855.43 C ATOM 4936 P C B 230 -867.099 -13.055 75.591 1.00855.43 P ATOM 4937 O1P C B 230 -868.009 -13.684 76.583 1.00855.43 O ATOM 4938 O2P C B 230 -867.517 -12.952 74.175 1.00855.43 O ATOM 4939 O5* C B 230 -866.719 -11.596 76.110 1.00855.43 O ATOM 4940 C5* C B 230 -866.144 -11.415 77.400 1.00855.43 C ATOM 4941 C4* C B 230 -865.524 -10.042 77.521 1.00855.43 C ATOM 4942 O4* C B 230 -864.456 -9.902 76.545 1.00855.43 O ATOM 4943 C3* C B 230 -866.494 -8.900 77.230 1.00855.43 C ATOM 4944 O3* C B 230 -867.221 -8.459 78.369 1.00855.43 O ATOM 4945 C2* C B 230 -865.568 -7.802 76.722 1.00855.43 C ATOM 4946 O2* C B 230 -864.950 -7.088 77.774 1.00855.43 O ATOM 4947 C1* C B 230 -864.514 -8.608 75.962 1.00855.43 C ATOM 4948 N1 C B 230 -864.870 -8.735 74.543 1.00855.43 N ATOM 4949 C2 C B 230 -864.865 -7.580 73.747 1.00855.43 C ATOM 4950 O2 C B 230 -864.537 -6.500 74.265 1.00855.43 O ATOM 4951 N3 C B 230 -865.213 -7.669 72.446 1.00855.43 N ATOM 4952 C4 C B 230 -865.556 -8.849 71.928 1.00855.43 C ATOM 4953 N4 C B 230 -865.900 -8.890 70.637 1.00855.43 N ATOM 4954 C5 C B 230 -865.563 -10.045 72.709 1.00855.43 C ATOM 4955 C6 C B 230 -865.215 -9.940 73.999 1.00855.43 C ATOM 4956 P G B 231 -868.678 -7.810 78.169 1.00855.43 P ATOM 4957 O1P G B 231 -869.041 -7.139 79.443 1.00855.43 O ATOM 4958 O2P G B 231 -869.579 -8.852 77.610 1.00855.43 O ATOM 4959 O5* G B 231 -868.462 -6.689 77.056 1.00855.43 O ATOM 4960 C5* G B 231 -867.935 -5.409 77.402 1.00855.43 C ATOM 4961 C4* G B 231 -867.642 -4.601 76.154 1.00855.43 C ATOM 4962 O4* G B 231 -866.898 -5.395 75.197 1.00855.43 O ATOM 4963 C3* G B 231 -868.816 -4.052 75.349 1.00855.43 C ATOM 4964 O3* G B 231 -869.369 -2.874 75.923 1.00855.43 O ATOM 4965 C2* G B 231 -868.183 -3.797 73.988 1.00855.43 C ATOM 4966 O2* G B 231 -867.470 -2.579 73.937 1.00855.43 O ATOM 4967 C1* G B 231 -867.207 -4.973 73.876 1.00855.43 C ATOM 4968 N9 G B 231 -867.810 -6.098 73.171 1.00855.43 N ATOM 4969 C8 G B 231 -868.326 -7.234 73.742 1.00855.43 C ATOM 4970 N7 G B 231 -868.829 -8.067 72.874 1.00855.43 N ATOM 4971 C5 G B 231 -868.631 -7.447 71.647 1.00855.43 C ATOM 4972 C6 G B 231 -868.973 -7.875 70.339 1.00855.43 C ATOM 4973 O6 G B 231 -869.539 -8.917 69.995 1.00855.43 O ATOM 4974 N1 G B 231 -868.588 -6.950 69.381 1.00855.43 N ATOM 4975 C2 G B 231 -867.952 -5.762 69.638 1.00855.43 C ATOM 4976 N2 G B 231 -867.652 -5.021 68.558 1.00855.43 N ATOM 4977 N3 G B 231 -867.634 -5.337 70.856 1.00855.43 N ATOM 4978 C4 G B 231 -867.998 -6.231 71.807 1.00855.43 C ATOM 4979 P A B 232 -870.608 -2.156 75.199 1.00855.43 P ATOM 4980 O1P A B 232 -871.711 -3.141 75.101 1.00855.43 O ATOM 4981 O2P A B 232 -870.104 -1.495 73.965 1.00855.43 O ATOM 4982 O5* A B 232 -871.033 -1.017 76.227 1.00855.43 O ATOM 4983 C5* A B 232 -871.678 0.167 75.778 1.00855.43 C ATOM 4984 C4* A B 232 -870.689 1.308 75.718 1.00855.43 C ATOM 4985 O4* A B 232 -869.524 0.922 74.952 1.00855.43 O ATOM 4986 C3* A B 232 -871.190 2.592 75.072 1.00855.43 C ATOM 4987 O3* A B 232 -871.904 3.402 76.002 1.00855.43 O ATOM 4988 C2* A B 232 -869.898 3.250 74.592 1.00855.43 C ATOM 4989 O2* A B 232 -869.249 3.984 75.614 1.00855.43 O ATOM 4990 C1* A B 232 -869.043 2.034 74.221 1.00855.43 C ATOM 4991 N9 A B 232 -869.072 1.692 72.799 1.00855.43 N ATOM 4992 C8 A B 232 -870.026 0.965 72.128 1.00855.43 C ATOM 4993 N7 A B 232 -869.763 0.796 70.852 1.00855.43 N ATOM 4994 C5 A B 232 -868.561 1.460 70.671 1.00855.43 C ATOM 4995 C6 A B 232 -867.752 1.646 69.538 1.00855.43 C ATOM 4996 N6 A B 232 -868.046 1.144 68.331 1.00855.43 N ATOM 4997 N1 A B 232 -866.616 2.365 69.688 1.00855.43 N ATOM 4998 C2 A B 232 -866.323 2.853 70.903 1.00855.43 C ATOM 4999 N3 A B 232 -867.002 2.738 72.044 1.00855.43 N ATOM 5000 C4 A B 232 -868.124 2.022 71.856 1.00855.43 C ATOM 5001 P A B 233 -873.142 4.293 75.493 1.00855.43 P ATOM 5002 O1P A B 233 -873.577 5.139 76.635 1.00855.43 O ATOM 5003 O2P A B 233 -874.121 3.400 74.828 1.00855.43 O ATOM 5004 O5* A B 233 -872.497 5.246 74.390 1.00855.43 O ATOM 5005 C5* A B 233 -871.823 6.441 74.768 1.00855.43 C ATOM 5006 C4* A B 233 -871.315 7.169 73.547 1.00855.43 C ATOM 5007 O4* A B 233 -870.335 6.345 72.865 1.00855.43 O ATOM 5008 C3* A B 233 -872.354 7.486 72.476 1.00855.43 C ATOM 5009 O3* A B 233 -873.118 8.656 72.734 1.00855.43 O ATOM 5010 C2* A B 233 -871.498 7.618 71.223 1.00855.43 C ATOM 5011 O2* A B 233 -870.887 8.889 71.115 1.00855.43 O ATOM 5012 C1* A B 233 -870.433 6.549 71.466 1.00855.43 C ATOM 5013 N9 A B 233 -870.804 5.281 70.839 1.00855.43 N ATOM 5014 C8 A B 233 -871.225 4.129 71.459 1.00855.43 C ATOM 5015 N7 A B 233 -871.522 3.162 70.627 1.00855.43 N ATOM 5016 C5 A B 233 -871.270 3.704 69.377 1.00855.43 C ATOM 5017 C6 A B 233 -871.387 3.186 68.079 1.00855.43 C ATOM 5018 N6 A B 233 -871.819 1.948 67.813 1.00855.43 N ATOM 5019 N1 A B 233 -871.052 3.989 67.045 1.00855.43 N ATOM 5020 C2 A B 233 -870.627 5.232 67.315 1.00855.43 C ATOM 5021 N3 A B 233 -870.477 5.836 68.489 1.00855.43 N ATOM 5022 C4 A B 233 -870.816 5.007 69.492 1.00855.43 C ATOM 5023 P C B 234 -874.633 8.748 72.199 1.00855.43 P ATOM 5024 O1P C B 234 -875.162 10.085 72.565 1.00855.43 O ATOM 5025 O2P C B 234 -875.353 7.525 72.646 1.00855.43 O ATOM 5026 O5* C B 234 -874.483 8.685 70.618 1.00855.43 O ATOM 5027 C5* C B 234 -873.767 9.698 69.919 1.00855.43 C ATOM 5028 C4* C B 234 -873.858 9.477 68.425 1.00855.43 C ATOM 5029 O4* C B 234 -873.249 8.214 68.074 1.00855.43 O ATOM 5030 C3* C B 234 -875.226 9.375 67.759 1.00855.43 C ATOM 5031 O3* C B 234 -875.761 10.676 67.541 1.00855.43 O ATOM 5032 C2* C B 234 -874.940 8.651 66.444 1.00855.43 C ATOM 5033 O2* C B 234 -874.586 9.540 65.403 1.00855.43 O ATOM 5034 C1* C B 234 -873.725 7.792 66.807 1.00855.43 C ATOM 5035 N1 C B 234 -874.000 6.348 66.872 1.00855.43 N ATOM 5036 C2 C B 234 -873.765 5.569 65.732 1.00855.43 C ATOM 5037 O2 C B 234 -873.338 6.125 64.708 1.00855.43 O ATOM 5038 N3 C B 234 -874.008 4.240 65.780 1.00855.43 N ATOM 5039 C4 C B 234 -874.466 3.686 66.903 1.00855.43 C ATOM 5040 N4 C B 234 -874.689 2.368 66.905 1.00855.43 N ATOM 5041 C5 C B 234 -874.716 4.455 68.076 1.00855.43 C ATOM 5042 C6 C B 234 -874.474 5.769 68.016 1.00855.43 C ATOM 5043 P C B 235 -877.054 11.155 68.367 1.00855.43 P ATOM 5044 O1P C B 235 -877.300 12.576 68.010 1.00855.43 O ATOM 5045 O2P C B 235 -876.873 10.775 69.788 1.00855.43 O ATOM 5046 O5* C B 235 -878.236 10.280 67.754 1.00855.43 O ATOM 5047 C5* C B 235 -879.397 10.904 67.220 1.00855.43 C ATOM 5048 C4* C B 235 -880.572 9.953 67.253 1.00855.43 C ATOM 5049 O4* C B 235 -880.343 8.850 66.340 1.00855.43 O ATOM 5050 C3* C B 235 -880.899 9.287 68.578 1.00855.43 C ATOM 5051 O3* C B 235 -881.680 10.142 69.400 1.00855.43 O ATOM 5052 C2* C B 235 -881.685 8.053 68.146 1.00855.43 C ATOM 5053 O2* C B 235 -883.054 8.327 67.930 1.00855.43 O ATOM 5054 C1* C B 235 -881.023 7.698 66.813 1.00855.43 C ATOM 5055 N1 C B 235 -880.061 6.587 66.919 1.00855.43 N ATOM 5056 C2 C B 235 -880.558 5.288 67.055 1.00855.43 C ATOM 5057 O2 C B 235 -881.788 5.113 67.082 1.00855.43 O ATOM 5058 N3 C B 235 -879.691 4.256 67.156 1.00855.43 N ATOM 5059 C4 C B 235 -878.379 4.484 67.124 1.00855.43 C ATOM 5060 N4 C B 235 -877.557 3.434 67.224 1.00855.43 N ATOM 5061 C5 C B 235 -877.844 5.799 66.985 1.00855.43 C ATOM 5062 C6 C B 235 -878.714 6.811 66.886 1.00855.43 C ATOM 5063 P C B 236 -881.606 9.989 70.999 1.00855.43 P ATOM 5064 O1P C B 236 -881.683 11.357 71.577 1.00855.43 O ATOM 5065 O2P C B 236 -880.453 9.116 71.334 1.00855.43 O ATOM 5066 O5* C B 236 -882.947 9.216 71.372 1.00855.43 O ATOM 5067 C5* C B 236 -884.115 9.365 70.576 1.00855.43 C ATOM 5068 C4* C B 236 -884.968 8.118 70.645 1.00855.43 C ATOM 5069 O4* C B 236 -884.188 6.957 70.260 1.00855.43 O ATOM 5070 C3* C B 236 -885.502 7.789 72.019 1.00855.43 C ATOM 5071 O3* C B 236 -886.710 8.500 72.254 1.00855.43 O ATOM 5072 C2* C B 236 -885.720 6.284 71.949 1.00855.43 C ATOM 5073 O2* C B 236 -886.950 5.939 71.341 1.00855.43 O ATOM 5074 C1* C B 236 -884.555 5.845 71.058 1.00855.43 C ATOM 5075 N1 C B 236 -883.393 5.439 71.866 1.00855.43 N ATOM 5076 C2 C B 236 -883.288 4.107 72.285 1.00855.43 C ATOM 5077 O2 C B 236 -884.157 3.296 71.933 1.00855.43 O ATOM 5078 N3 C B 236 -882.244 3.740 73.059 1.00855.43 N ATOM 5079 C4 C B 236 -881.326 4.641 73.413 1.00855.43 C ATOM 5080 N4 C B 236 -880.319 4.238 74.191 1.00855.43 N ATOM 5081 C5 C B 236 -881.398 5.998 72.987 1.00855.43 C ATOM 5082 C6 C B 236 -882.437 6.351 72.220 1.00855.43 C ATOM 5083 P G B 237 -887.170 8.786 73.769 1.00855.43 P ATOM 5084 O1P G B 237 -888.282 9.767 73.729 1.00855.43 O ATOM 5085 O2P G B 237 -885.952 9.089 74.565 1.00855.43 O ATOM 5086 O5* G B 237 -887.747 7.387 74.265 1.00855.43 O ATOM 5087 C5* G B 237 -889.118 7.053 74.065 1.00855.43 C ATOM 5088 C4* G B 237 -889.665 6.326 75.275 1.00855.43 C ATOM 5089 O4* G B 237 -888.827 5.187 75.598 1.00855.43 O ATOM 5090 C3* G B 237 -889.716 7.171 76.545 1.00855.43 C ATOM 5091 O3* G B 237 -890.911 7.937 76.644 1.00855.43 O ATOM 5092 C2* G B 237 -889.618 6.120 77.645 1.00855.43 C ATOM 5093 O2* G B 237 -890.867 5.531 77.943 1.00855.43 O ATOM 5094 C1* G B 237 -888.702 5.074 77.005 1.00855.43 C ATOM 5095 N9 G B 237 -887.296 5.240 77.357 1.00855.43 N ATOM 5096 C8 G B 237 -886.486 6.301 77.033 1.00855.43 C ATOM 5097 N7 G B 237 -885.266 6.175 77.482 1.00855.43 N ATOM 5098 C5 G B 237 -885.268 4.956 78.146 1.00855.43 C ATOM 5099 C6 G B 237 -884.228 4.288 78.839 1.00855.43 C ATOM 5100 O6 G B 237 -883.057 4.649 79.010 1.00855.43 O ATOM 5101 N1 G B 237 -884.658 3.077 79.369 1.00855.43 N ATOM 5102 C2 G B 237 -885.929 2.571 79.249 1.00855.43 C ATOM 5103 N2 G B 237 -886.142 1.381 79.833 1.00855.43 N ATOM 5104 N3 G B 237 -886.913 3.184 78.604 1.00855.43 N ATOM 5105 C4 G B 237 -886.515 4.367 78.081 1.00855.43 C ATOM 5106 P G B 238 -890.931 9.274 77.534 1.00855.43 P ATOM 5107 O1P G B 238 -892.184 10.000 77.210 1.00855.43 O ATOM 5108 O2P G B 238 -889.625 9.967 77.388 1.00855.43 O ATOM 5109 O5* G B 238 -891.052 8.740 79.028 1.00855.43 O ATOM 5110 C5* G B 238 -892.160 7.940 79.419 1.00855.43 C ATOM 5111 C4* G B 238 -891.847 7.187 80.687 1.00855.43 C ATOM 5112 O4* G B 238 -890.726 6.287 80.477 1.00855.43 O ATOM 5113 C3* G B 238 -891.464 8.040 81.881 1.00855.43 C ATOM 5114 O3* G B 238 -892.618 8.494 82.573 1.00855.43 O ATOM 5115 C2* G B 238 -890.641 7.073 82.728 1.00855.43 C ATOM 5116 O2* G B 238 -891.440 6.245 83.546 1.00855.43 O ATOM 5117 C1* G B 238 -889.955 6.221 81.661 1.00855.43 C ATOM 5118 N9 G B 238 -888.586 6.645 81.388 1.00855.43 N ATOM 5119 C8 G B 238 -888.142 7.817 80.826 1.00855.43 C ATOM 5120 N7 G B 238 -886.838 7.874 80.729 1.00855.43 N ATOM 5121 C5 G B 238 -886.402 6.664 81.260 1.00855.43 C ATOM 5122 C6 G B 238 -885.082 6.130 81.431 1.00855.43 C ATOM 5123 O6 G B 238 -883.993 6.625 81.133 1.00855.43 O ATOM 5124 N1 G B 238 -885.112 4.873 82.019 1.00855.43 N ATOM 5125 C2 G B 238 -886.249 4.207 82.392 1.00855.43 C ATOM 5126 N2 G B 238 -886.079 3.003 82.948 1.00855.43 N ATOM 5127 N3 G B 238 -887.468 4.679 82.235 1.00855.43 N ATOM 5128 C4 G B 238 -887.470 5.901 81.669 1.00855.43 C ATOM 5129 P A B 239 -892.486 9.713 83.613 1.00855.43 P ATOM 5130 O1P A B 239 -893.853 10.059 84.083 1.00855.43 O ATOM 5131 O2P A B 239 -891.633 10.760 82.999 1.00855.43 O ATOM 5132 O5* A B 239 -891.685 9.076 84.833 1.00855.43 O ATOM 5133 C5* A B 239 -892.316 8.154 85.716 1.00855.43 C ATOM 5134 C4* A B 239 -891.347 7.711 86.783 1.00855.43 C ATOM 5135 O4* A B 239 -890.317 6.874 86.201 1.00855.43 O ATOM 5136 C3* A B 239 -890.580 8.842 87.446 1.00855.43 C ATOM 5137 O3* A B 239 -891.331 9.487 88.463 1.00855.43 O ATOM 5138 C2* A B 239 -889.333 8.138 87.964 1.00855.43 C ATOM 5139 O2* A B 239 -889.557 7.485 89.199 1.00855.43 O ATOM 5140 C1* A B 239 -889.086 7.102 86.865 1.00855.43 C ATOM 5141 N9 A B 239 -888.122 7.575 85.872 1.00855.43 N ATOM 5142 C8 A B 239 -888.348 8.476 84.862 1.00855.43 C ATOM 5143 N7 A B 239 -887.291 8.725 84.129 1.00855.43 N ATOM 5144 C5 A B 239 -886.300 7.930 84.694 1.00855.43 C ATOM 5145 C6 A B 239 -884.944 7.740 84.369 1.00855.43 C ATOM 5146 N6 A B 239 -884.326 8.365 83.364 1.00855.43 N ATOM 5147 N1 A B 239 -884.234 6.877 85.123 1.00855.43 N ATOM 5148 C2 A B 239 -884.858 6.253 86.135 1.00855.43 C ATOM 5149 N3 A B 239 -886.120 6.350 86.538 1.00855.43 N ATOM 5150 C4 A B 239 -886.798 7.218 85.763 1.00855.43 C ATOM 5151 P U B 240 -891.580 11.073 88.371 1.00855.43 P ATOM 5152 O1P U B 240 -891.872 11.565 89.741 1.00855.43 O ATOM 5153 O2P U B 240 -892.557 11.324 87.281 1.00855.43 O ATOM 5154 O5* U B 240 -890.166 11.653 87.920 1.00855.43 O ATOM 5155 C5* U B 240 -889.047 11.609 88.798 1.00855.43 C ATOM 5156 C4* U B 240 -887.853 12.284 88.165 1.00855.43 C ATOM 5157 O4* U B 240 -887.297 11.419 87.140 1.00855.43 O ATOM 5158 C3* U B 240 -888.029 13.608 87.427 1.00855.43 C ATOM 5159 O3* U B 240 -888.136 14.743 88.277 1.00855.43 O ATOM 5160 C2* U B 240 -886.785 13.671 86.545 1.00855.43 C ATOM 5161 O2* U B 240 -885.658 14.173 87.234 1.00855.43 O ATOM 5162 C1* U B 240 -886.562 12.195 86.210 1.00855.43 C ATOM 5163 N1 U B 240 -887.009 11.836 84.856 1.00855.43 N ATOM 5164 C2 U B 240 -886.040 11.469 83.937 1.00855.43 C ATOM 5165 O2 U B 240 -884.854 11.435 84.207 1.00855.43 O ATOM 5166 N3 U B 240 -886.522 11.143 82.691 1.00855.43 N ATOM 5167 C4 U B 240 -887.838 11.146 82.280 1.00855.43 C ATOM 5168 O4 U B 240 -888.113 10.826 81.123 1.00855.43 O ATOM 5169 C5 U B 240 -888.776 11.538 83.287 1.00855.43 C ATOM 5170 C6 U B 240 -888.339 11.863 84.510 1.00855.43 C ATOM 5171 P C B 241 -888.806 16.095 87.720 1.00855.43 P ATOM 5172 O1P C B 241 -887.961 17.230 88.163 1.00855.43 O ATOM 5173 O2P C B 241 -890.249 16.073 88.063 1.00855.43 O ATOM 5174 O5* C B 241 -888.670 15.963 86.138 1.00855.43 O ATOM 5175 C5* C B 241 -888.648 17.120 85.310 1.00855.43 C ATOM 5176 C4* C B 241 -887.525 17.025 84.309 1.00855.43 C ATOM 5177 O4* C B 241 -887.796 15.933 83.394 1.00855.43 O ATOM 5178 C3* C B 241 -887.355 18.217 83.397 1.00855.43 C ATOM 5179 O3* C B 241 -886.582 19.209 84.064 1.00855.43 O ATOM 5180 C2* C B 241 -886.642 17.628 82.186 1.00855.43 C ATOM 5181 O2* C B 241 -885.244 17.531 82.369 1.00855.43 O ATOM 5182 C1* C B 241 -887.252 16.225 82.121 1.00855.43 C ATOM 5183 N1 C B 241 -888.342 16.129 81.139 1.00855.43 N ATOM 5184 C2 C B 241 -888.037 15.833 79.806 1.00855.43 C ATOM 5185 O2 C B 241 -886.854 15.649 79.489 1.00855.43 O ATOM 5186 N3 C B 241 -889.043 15.753 78.903 1.00855.43 N ATOM 5187 C4 C B 241 -890.304 15.957 79.289 1.00855.43 C ATOM 5188 N4 C B 241 -891.263 15.870 78.363 1.00855.43 N ATOM 5189 C5 C B 241 -890.643 16.256 80.639 1.00855.43 C ATOM 5190 C6 C B 241 -889.639 16.332 81.522 1.00855.43 C ATOM 5191 P A B 242 -887.225 20.655 84.350 1.00855.43 P ATOM 5192 O1P A B 242 -888.686 20.552 84.116 1.00855.43 O ATOM 5193 O2P A B 242 -886.433 21.676 83.613 1.00855.43 O ATOM 5194 O5* A B 242 -886.978 20.866 85.906 1.00855.43 O ATOM 5195 C5* A B 242 -885.689 21.229 86.384 1.00855.43 C ATOM 5196 C4* A B 242 -885.787 21.786 87.781 1.00855.43 C ATOM 5197 O4* A B 242 -886.432 20.820 88.650 1.00855.43 O ATOM 5198 C3* A B 242 -884.470 22.149 88.483 1.00855.43 C ATOM 5199 O3* A B 242 -883.965 23.409 88.017 1.00855.43 O ATOM 5200 C2* A B 242 -884.821 22.011 89.965 1.00855.43 C ATOM 5201 O2* A B 242 -885.373 23.145 90.592 1.00855.43 O ATOM 5202 C1* A B 242 -885.873 20.899 89.945 1.00855.43 C ATOM 5203 N9 A B 242 -885.354 19.584 90.319 1.00855.43 N ATOM 5204 C8 A B 242 -885.505 18.382 89.673 1.00855.43 C ATOM 5205 N7 A B 242 -884.892 17.385 90.266 1.00855.43 N ATOM 5206 C5 A B 242 -884.301 17.970 91.379 1.00855.43 C ATOM 5207 C6 A B 242 -883.504 17.451 92.410 1.00855.43 C ATOM 5208 N6 A B 242 -883.134 16.171 92.491 1.00855.43 N ATOM 5209 N1 A B 242 -883.085 18.303 93.371 1.00855.43 N ATOM 5210 C2 A B 242 -883.441 19.589 93.284 1.00855.43 C ATOM 5211 N3 A B 242 -884.182 20.200 92.360 1.00855.43 N ATOM 5212 C4 A B 242 -884.584 19.323 91.425 1.00855.43 C ATOM 5213 P G B 243 -882.696 24.096 88.731 1.00855.43 P ATOM 5214 O1P G B 243 -881.855 24.663 87.646 1.00855.43 O ATOM 5215 O2P G B 243 -882.096 23.141 89.694 1.00855.43 O ATOM 5216 O5* G B 243 -883.327 25.322 89.534 1.00855.43 O ATOM 5217 C5* G B 243 -882.494 26.290 90.162 1.00855.43 C ATOM 5218 C4* G B 243 -882.436 26.052 91.653 1.00855.43 C ATOM 5219 O4* G B 243 -882.255 24.637 91.914 1.00855.43 O ATOM 5220 C3* G B 243 -881.285 26.718 92.373 1.00855.43 C ATOM 5221 O3* G B 243 -881.567 28.076 92.674 1.00855.43 O ATOM 5222 C2* G B 243 -881.086 25.836 93.594 1.00855.43 C ATOM 5223 O2* G B 243 -881.994 26.132 94.638 1.00855.43 O ATOM 5224 C1* G B 243 -881.389 24.450 93.020 1.00855.43 C ATOM 5225 N9 G B 243 -880.193 23.791 92.505 1.00855.43 N ATOM 5226 C8 G B 243 -879.459 24.203 91.418 1.00855.43 C ATOM 5227 N7 G B 243 -878.436 23.438 91.170 1.00855.43 N ATOM 5228 C5 G B 243 -878.489 22.459 92.153 1.00855.43 C ATOM 5229 C6 G B 243 -877.635 21.357 92.384 1.00855.43 C ATOM 5230 O6 G B 243 -876.627 21.017 91.754 1.00855.43 O ATOM 5231 N1 G B 243 -878.049 20.613 93.484 1.00855.43 N ATOM 5232 C2 G B 243 -879.146 20.892 94.258 1.00855.43 C ATOM 5233 N2 G B 243 -879.373 20.044 95.273 1.00855.43 N ATOM 5234 N3 G B 243 -879.958 21.922 94.052 1.00855.43 N ATOM 5235 C4 G B 243 -879.570 22.659 92.987 1.00855.43 C ATOM 5236 P C B 244 -880.357 29.075 93.001 1.00855.43 P ATOM 5237 O1P C B 244 -880.937 30.386 93.383 1.00855.43 O ATOM 5238 O2P C B 244 -879.382 29.001 91.880 1.00855.43 O ATOM 5239 O5* C B 244 -879.688 28.416 94.286 1.00855.43 O ATOM 5240 C5* C B 244 -878.315 28.622 94.596 1.00855.43 C ATOM 5241 C4* C B 244 -877.880 27.665 95.678 1.00855.43 C ATOM 5242 O4* C B 244 -878.066 26.298 95.222 1.00855.43 O ATOM 5243 C3* C B 244 -876.419 27.709 96.083 1.00855.43 C ATOM 5244 O3* C B 244 -876.152 28.757 97.006 1.00855.43 O ATOM 5245 C2* C B 244 -876.195 26.329 96.691 1.00855.43 C ATOM 5246 O2* C B 244 -876.627 26.250 98.034 1.00855.43 O ATOM 5247 C1* C B 244 -877.092 25.455 95.814 1.00855.43 C ATOM 5248 N1 C B 244 -876.351 24.783 94.736 1.00855.43 N ATOM 5249 C2 C B 244 -876.006 23.427 94.878 1.00855.43 C ATOM 5250 O2 C B 244 -876.337 22.826 95.910 1.00855.43 O ATOM 5251 N3 C B 244 -875.317 22.813 93.890 1.00855.43 N ATOM 5252 C4 C B 244 -874.976 23.492 92.791 1.00855.43 C ATOM 5253 N4 C B 244 -874.298 22.842 91.842 1.00855.43 N ATOM 5254 C5 C B 244 -875.315 24.864 92.617 1.00855.43 C ATOM 5255 C6 C B 244 -875.995 25.464 93.602 1.00855.43 C ATOM 5256 P C B 245 -874.639 29.038 97.459 1.00855.43 P ATOM 5257 O1P C B 245 -874.602 30.367 98.118 1.00855.43 O ATOM 5258 O2P C B 245 -873.744 28.764 96.304 1.00855.43 O ATOM 5259 O5* C B 245 -874.388 27.917 98.562 1.00855.43 O ATOM 5260 C5* C B 245 -873.139 27.803 99.227 1.00855.43 C ATOM 5261 C4* C B 245 -872.913 26.374 99.649 1.00855.43 C ATOM 5262 O4* C B 245 -873.297 25.493 98.567 1.00855.43 O ATOM 5263 C3* C B 245 -871.461 26.061 99.946 1.00855.43 C ATOM 5264 O3* C B 245 -871.175 26.289 101.321 1.00855.43 O ATOM 5265 C2* C B 245 -871.332 24.591 99.567 1.00855.43 C ATOM 5266 O2* C B 245 -871.720 23.725 100.616 1.00855.43 O ATOM 5267 C1* C B 245 -872.329 24.474 98.412 1.00855.43 C ATOM 5268 N1 C B 245 -871.719 24.633 97.083 1.00855.43 N ATOM 5269 C2 C B 245 -870.600 23.865 96.760 1.00855.43 C ATOM 5270 O2 C B 245 -870.152 23.081 97.605 1.00855.43 O ATOM 5271 N3 C B 245 -870.040 23.995 95.536 1.00855.43 N ATOM 5272 C4 C B 245 -870.552 24.856 94.655 1.00855.43 C ATOM 5273 N4 C B 245 -869.967 24.950 93.460 1.00855.43 N ATOM 5274 C5 C B 245 -871.688 25.659 94.961 1.00855.43 C ATOM 5275 C6 C B 245 -872.235 25.518 96.176 1.00855.43 C ATOM 5276 P C B 246 -870.360 27.600 101.757 1.00855.43 P ATOM 5277 O1P C B 246 -871.071 28.212 102.906 1.00855.43 O ATOM 5278 O2P C B 246 -870.103 28.412 100.540 1.00855.43 O ATOM 5279 O5* C B 246 -868.968 27.026 102.277 1.00855.43 O ATOM 5280 C5* C B 246 -867.850 27.887 102.478 1.00855.43 C ATOM 5281 C4* C B 246 -866.597 27.075 102.699 1.00855.43 C ATOM 5282 O4* C B 246 -866.514 26.029 101.694 1.00855.43 O ATOM 5283 C3* C B 246 -865.306 27.849 102.536 1.00855.43 C ATOM 5284 O3* C B 246 -864.945 28.550 103.716 1.00855.43 O ATOM 5285 C2* C B 246 -864.302 26.758 102.177 1.00855.43 C ATOM 5286 O2* C B 246 -863.804 26.079 103.312 1.00855.43 O ATOM 5287 C1* C B 246 -865.158 25.808 101.342 1.00855.43 C ATOM 5288 N1 C B 246 -865.016 26.064 99.902 1.00855.43 N ATOM 5289 C2 C B 246 -864.411 25.090 99.103 1.00855.43 C ATOM 5290 O2 C B 246 -864.033 24.033 99.629 1.00855.43 O ATOM 5291 N3 C B 246 -864.255 25.322 97.781 1.00855.43 N ATOM 5292 C4 C B 246 -864.679 26.476 97.252 1.00855.43 C ATOM 5293 N4 C B 246 -864.499 26.667 95.942 1.00855.43 N ATOM 5294 C5 C B 246 -865.303 27.483 98.043 1.00855.43 C ATOM 5295 C6 C B 246 -865.453 27.236 99.349 1.00855.43 C ATOM 5296 P A B 247 -865.242 30.126 103.821 1.00855.43 P ATOM 5297 O1P A B 247 -865.552 30.424 105.243 1.00855.43 O ATOM 5298 O2P A B 247 -866.225 30.479 102.766 1.00855.43 O ATOM 5299 O5* A B 247 -863.853 30.816 103.457 1.00855.43 O ATOM 5300 C5* A B 247 -863.284 31.803 104.314 1.00855.43 C ATOM 5301 C4* A B 247 -862.453 32.785 103.517 1.00855.43 C ATOM 5302 O4* A B 247 -861.479 32.078 102.711 1.00855.43 O ATOM 5303 C3* A B 247 -863.195 33.699 102.547 1.00855.43 C ATOM 5304 O3* A B 247 -863.696 34.859 103.199 1.00855.43 O ATOM 5305 C2* A B 247 -862.108 34.062 101.543 1.00855.43 C ATOM 5306 O2* A B 247 -861.300 35.137 101.977 1.00855.43 O ATOM 5307 C1* A B 247 -861.266 32.784 101.503 1.00855.43 C ATOM 5308 N9 A B 247 -861.598 31.911 100.380 1.00855.43 N ATOM 5309 C8 A B 247 -862.103 30.637 100.403 1.00855.43 C ATOM 5310 N7 A B 247 -862.314 30.128 99.212 1.00855.43 N ATOM 5311 C5 A B 247 -861.914 31.138 98.344 1.00855.43 C ATOM 5312 C6 A B 247 -861.889 31.226 96.941 1.00855.43 C ATOM 5313 N6 A B 247 -862.295 30.248 96.130 1.00855.43 N ATOM 5314 N1 A B 247 -861.430 32.372 96.393 1.00855.43 N ATOM 5315 C2 A B 247 -861.025 33.355 97.207 1.00855.43 C ATOM 5316 N3 A B 247 -861.002 33.390 98.537 1.00855.43 N ATOM 5317 C4 A B 247 -861.464 32.237 99.050 1.00855.43 C ATOM 5318 P A B 248 -864.985 35.620 102.608 1.00855.43 P ATOM 5319 O1P A B 248 -865.342 36.690 103.572 1.00855.43 O ATOM 5320 O2P A B 248 -866.001 34.601 102.236 1.00855.43 O ATOM 5321 O5* A B 248 -864.470 36.319 101.274 1.00855.43 O ATOM 5322 C5* A B 248 -864.990 37.588 100.876 1.00855.43 C ATOM 5323 C4* A B 248 -864.070 38.255 99.879 1.00855.43 C ATOM 5324 O4* A B 248 -864.362 37.774 98.541 1.00855.43 O ATOM 5325 C3* A B 248 -864.211 39.762 99.741 1.00855.43 C ATOM 5326 O3* A B 248 -863.497 40.434 100.774 1.00855.43 O ATOM 5327 C2* A B 248 -863.635 40.038 98.357 1.00855.43 C ATOM 5328 O2* A B 248 -862.227 40.155 98.369 1.00855.43 O ATOM 5329 C1* A B 248 -864.047 38.779 97.590 1.00855.43 C ATOM 5330 N9 A B 248 -865.224 38.984 96.747 1.00855.43 N ATOM 5331 C8 A B 248 -866.511 39.212 97.159 1.00855.43 C ATOM 5332 N7 A B 248 -867.363 39.362 96.175 1.00855.43 N ATOM 5333 C5 A B 248 -866.584 39.220 95.035 1.00855.43 C ATOM 5334 C6 A B 248 -866.893 39.271 93.665 1.00855.43 C ATOM 5335 N6 A B 248 -868.124 39.486 93.191 1.00855.43 N ATOM 5336 N1 A B 248 -865.884 39.089 92.786 1.00855.43 N ATOM 5337 C2 A B 248 -864.652 38.871 93.262 1.00855.43 C ATOM 5338 N3 A B 248 -864.236 38.802 94.525 1.00855.43 N ATOM 5339 C4 A B 248 -865.262 38.986 95.373 1.00855.43 C ATOM 5340 P A B 292 -886.565 26.252 103.781 1.00852.91 P ATOM 5341 O1P A B 292 -885.663 26.123 102.607 1.00852.91 O ATOM 5342 O2P A B 292 -887.495 25.143 104.119 1.00852.91 O ATOM 5343 O5* A B 292 -885.670 26.564 105.058 1.00852.91 O ATOM 5344 C5* A B 292 -885.324 25.529 105.975 1.00852.91 C ATOM 5345 C4* A B 292 -883.834 25.293 105.958 1.00852.91 C ATOM 5346 O4* A B 292 -883.154 26.404 106.589 1.00852.91 O ATOM 5347 C3* A B 292 -883.347 24.070 106.728 1.00852.91 C ATOM 5348 O3* A B 292 -883.480 22.868 105.979 1.00852.91 O ATOM 5349 C2* A B 292 -881.900 24.429 107.043 1.00852.91 C ATOM 5350 O2* A B 292 -881.026 24.152 105.967 1.00852.91 O ATOM 5351 C1* A B 292 -881.993 25.945 107.253 1.00852.91 C ATOM 5352 N9 A B 292 -882.105 26.332 108.659 1.00852.91 N ATOM 5353 C8 A B 292 -883.253 26.400 109.407 1.00852.91 C ATOM 5354 N7 A B 292 -883.060 26.789 110.642 1.00852.91 N ATOM 5355 C5 A B 292 -881.689 26.990 110.715 1.00852.91 C ATOM 5356 C6 A B 292 -880.851 27.409 111.762 1.00852.91 C ATOM 5357 N6 A B 292 -881.290 27.713 112.986 1.00852.91 N ATOM 5358 N1 A B 292 -879.528 27.504 111.507 1.00852.91 N ATOM 5359 C2 A B 292 -879.087 27.199 110.280 1.00852.91 C ATOM 5360 N3 A B 292 -879.776 26.795 109.217 1.00852.91 N ATOM 5361 C4 A B 292 -881.088 26.708 109.503 1.00852.91 C ATOM 5362 P U B 293 -884.152 21.575 106.657 1.00852.91 P ATOM 5363 O1P U B 293 -883.899 20.417 105.760 1.00852.91 O ATOM 5364 O2P U B 293 -885.548 21.920 107.035 1.00852.91 O ATOM 5365 O5* U B 293 -883.310 21.365 107.993 1.00852.91 O ATOM 5366 C5* U B 293 -883.874 20.686 109.107 1.00852.91 C ATOM 5367 C4* U B 293 -883.111 21.029 110.364 1.00852.91 C ATOM 5368 O4* U B 293 -883.006 22.467 110.488 1.00852.91 O ATOM 5369 C3* U B 293 -883.697 20.548 111.689 1.00852.91 C ATOM 5370 O3* U B 293 -883.296 19.212 111.983 1.00852.91 O ATOM 5371 C2* U B 293 -883.128 21.552 112.692 1.00852.91 C ATOM 5372 O2* U B 293 -881.830 21.207 113.130 1.00852.91 O ATOM 5373 C1* U B 293 -883.057 22.831 111.853 1.00852.91 C ATOM 5374 N1 U B 293 -884.179 23.764 112.041 1.00852.91 N ATOM 5375 C2 U B 293 -884.038 24.761 112.989 1.00852.91 C ATOM 5376 O2 U B 293 -883.044 24.881 113.681 1.00852.91 O ATOM 5377 N3 U B 293 -885.109 25.614 113.092 1.00852.91 N ATOM 5378 C4 U B 293 -886.281 25.572 112.363 1.00852.91 C ATOM 5379 O4 U B 293 -887.145 26.433 112.550 1.00852.91 O ATOM 5380 C5 U B 293 -886.354 24.503 111.416 1.00852.91 C ATOM 5381 C6 U B 293 -885.327 23.655 111.291 1.00852.91 C ATOM 5382 P U B 294 -884.248 18.276 112.877 1.00852.91 P ATOM 5383 O1P U B 294 -883.736 16.887 112.766 1.00852.91 O ATOM 5384 O2P U B 294 -885.660 18.567 112.528 1.00852.91 O ATOM 5385 O5* U B 294 -883.981 18.784 114.357 1.00852.91 O ATOM 5386 C5* U B 294 -884.914 18.529 115.398 1.00852.91 C ATOM 5387 C4* U B 294 -884.764 19.557 116.489 1.00852.91 C ATOM 5388 O4* U B 294 -884.590 20.870 115.899 1.00852.91 O ATOM 5389 C3* U B 294 -885.938 19.702 117.432 1.00852.91 C ATOM 5390 O3* U B 294 -885.887 18.744 118.480 1.00852.91 O ATOM 5391 C2* U B 294 -885.804 21.135 117.929 1.00852.91 C ATOM 5392 O2* U B 294 -884.885 21.257 119.000 1.00852.91 O ATOM 5393 C1* U B 294 -885.245 21.843 116.695 1.00852.91 C ATOM 5394 N1 U B 294 -886.297 22.464 115.878 1.00852.91 N ATOM 5395 C2 U B 294 -886.517 23.821 116.033 1.00852.91 C ATOM 5396 O2 U B 294 -885.870 24.514 116.797 1.00852.91 O ATOM 5397 N3 U B 294 -887.527 24.336 115.253 1.00852.91 N ATOM 5398 C4 U B 294 -888.318 23.645 114.356 1.00852.91 C ATOM 5399 O4 U B 294 -889.214 24.241 113.757 1.00852.91 O ATOM 5400 C5 U B 294 -888.022 22.251 114.249 1.00852.91 C ATOM 5401 C6 U B 294 -887.046 21.721 114.995 1.00852.91 C ATOM 5402 P C B 295 -887.111 17.727 118.682 1.00852.91 P ATOM 5403 O1P C B 295 -886.544 16.393 118.998 1.00852.91 O ATOM 5404 O2P C B 295 -888.039 17.877 117.534 1.00852.91 O ATOM 5405 O5* C B 295 -887.838 18.286 119.981 1.00852.91 O ATOM 5406 C5* C B 295 -889.135 17.823 120.347 1.00852.91 C ATOM 5407 C4* C B 295 -889.836 18.854 121.193 1.00852.91 C ATOM 5408 O4* C B 295 -889.375 20.183 120.837 1.00852.91 O ATOM 5409 C3* C B 295 -891.354 18.891 121.025 1.00852.91 C ATOM 5410 O3* C B 295 -892.041 17.948 121.834 1.00852.91 O ATOM 5411 C2* C B 295 -891.695 20.337 121.365 1.00852.91 C ATOM 5412 O2* C B 295 -891.799 20.556 122.756 1.00852.91 O ATOM 5413 C1* C B 295 -890.468 21.082 120.824 1.00852.91 C ATOM 5414 N1 C B 295 -890.640 21.573 119.445 1.00852.91 N ATOM 5415 C2 C B 295 -891.193 22.843 119.241 1.00852.91 C ATOM 5416 O2 C B 295 -891.541 23.515 120.222 1.00852.91 O ATOM 5417 N3 C B 295 -891.338 23.305 117.977 1.00852.91 N ATOM 5418 C4 C B 295 -890.958 22.553 116.944 1.00852.91 C ATOM 5419 N4 C B 295 -891.107 23.057 115.718 1.00852.91 N ATOM 5420 C5 C B 295 -890.399 21.254 117.121 1.00852.91 C ATOM 5421 C6 C B 295 -890.260 20.809 118.376 1.00852.91 C ATOM 5422 P A B 296 -893.368 17.237 121.267 1.00852.91 P ATOM 5423 O1P A B 296 -894.010 16.520 122.397 1.00852.91 O ATOM 5424 O2P A B 296 -893.006 16.492 120.034 1.00852.91 O ATOM 5425 O5* A B 296 -894.300 18.461 120.856 1.00852.91 O ATOM 5426 C5* A B 296 -894.948 19.242 121.856 1.00852.91 C ATOM 5427 C4* A B 296 -895.949 20.180 121.226 1.00852.91 C ATOM 5428 O4* A B 296 -895.304 21.003 120.222 1.00852.91 O ATOM 5429 C3* A B 296 -897.185 19.651 120.498 1.00852.91 C ATOM 5430 O3* A B 296 -898.207 19.206 121.383 1.00852.91 O ATOM 5431 C2* A B 296 -897.623 20.851 119.667 1.00852.91 C ATOM 5432 O2* A B 296 -898.437 21.750 120.393 1.00852.91 O ATOM 5433 C1* A B 296 -896.287 21.528 119.347 1.00852.91 C ATOM 5434 N9 A B 296 -895.843 21.335 117.965 1.00852.91 N ATOM 5435 C8 A B 296 -895.065 20.336 117.436 1.00852.91 C ATOM 5436 N7 A B 296 -894.851 20.462 116.149 1.00852.91 N ATOM 5437 C5 A B 296 -895.532 21.621 115.808 1.00852.91 C ATOM 5438 C6 A B 296 -895.698 22.301 114.586 1.00852.91 C ATOM 5439 N6 A B 296 -895.165 21.894 113.431 1.00852.91 N ATOM 5440 N1 A B 296 -896.441 23.430 114.590 1.00852.91 N ATOM 5441 C2 A B 296 -896.976 23.838 115.749 1.00852.91 C ATOM 5442 N3 A B 296 -896.895 23.288 116.956 1.00852.91 N ATOM 5443 C4 A B 296 -896.149 22.170 116.916 1.00852.91 C ATOM 5444 P A B 297 -899.471 18.400 120.799 1.00852.91 P ATOM 5445 O1P A B 297 -900.181 17.808 121.961 1.00852.91 O ATOM 5446 O2P A B 297 -899.001 17.521 119.701 1.00852.91 O ATOM 5447 O5* A B 297 -900.398 19.536 120.178 1.00852.91 O ATOM 5448 C5* A B 297 -901.324 20.247 120.997 1.00852.91 C ATOM 5449 C4* A B 297 -902.231 21.104 120.148 1.00852.91 C ATOM 5450 O4* A B 297 -901.464 22.127 119.466 1.00852.91 O ATOM 5451 C3* A B 297 -903.005 20.377 119.048 1.00852.91 C ATOM 5452 O3* A B 297 -904.207 19.768 119.506 1.00852.91 O ATOM 5453 C2* A B 297 -903.282 21.499 118.049 1.00852.91 C ATOM 5454 O2* A B 297 -904.424 22.257 118.386 1.00852.91 O ATOM 5455 C1* A B 297 -902.032 22.373 118.194 1.00852.91 C ATOM 5456 N9 A B 297 -901.021 22.130 117.164 1.00852.91 N ATOM 5457 C8 A B 297 -899.961 21.263 117.189 1.00852.91 C ATOM 5458 N7 A B 297 -899.236 21.282 116.095 1.00852.91 N ATOM 5459 C5 A B 297 -899.863 22.227 115.297 1.00852.91 C ATOM 5460 C6 A B 297 -899.588 22.710 114.001 1.00852.91 C ATOM 5461 N6 A B 297 -898.566 22.291 113.257 1.00852.91 N ATOM 5462 N1 A B 297 -900.412 23.654 113.495 1.00852.91 N ATOM 5463 C2 A B 297 -901.440 24.075 114.243 1.00852.91 C ATOM 5464 N3 A B 297 -901.804 23.697 115.469 1.00852.91 N ATOM 5465 C4 A B 297 -900.964 22.758 115.943 1.00852.91 C ATOM 5466 P C B 298 -904.698 18.384 118.854 1.00852.91 P ATOM 5467 O1P C B 298 -905.936 17.979 119.570 1.00852.91 O ATOM 5468 O2P C B 298 -903.545 17.450 118.794 1.00852.91 O ATOM 5469 O5* C B 298 -905.103 18.780 117.365 1.00852.91 O ATOM 5470 C5* C B 298 -906.274 19.547 117.110 1.00852.91 C ATOM 5471 C4* C B 298 -906.194 20.207 115.754 1.00852.91 C ATOM 5472 O4* C B 298 -904.954 20.951 115.639 1.00852.91 O ATOM 5473 C3* C B 298 -906.208 19.292 114.544 1.00852.91 C ATOM 5474 O3* C B 298 -907.545 18.964 114.190 1.00852.91 O ATOM 5475 C2* C B 298 -905.525 20.136 113.473 1.00852.91 C ATOM 5476 O2* C B 298 -906.409 21.040 112.844 1.00852.91 O ATOM 5477 C1* C B 298 -904.497 20.915 114.299 1.00852.91 C ATOM 5478 N1 C B 298 -903.170 20.286 114.266 1.00852.91 N ATOM 5479 C2 C B 298 -902.258 20.696 113.291 1.00852.91 C ATOM 5480 O2 C B 298 -902.595 21.586 112.495 1.00852.91 O ATOM 5481 N3 C B 298 -901.038 20.114 113.237 1.00852.91 N ATOM 5482 C4 C B 298 -900.716 19.162 114.116 1.00852.91 C ATOM 5483 N4 C B 298 -899.503 18.611 114.027 1.00852.91 N ATOM 5484 C5 C B 298 -901.625 18.728 115.124 1.00852.91 C ATOM 5485 C6 C B 298 -902.828 19.315 115.163 1.00852.91 C ATOM 5486 P C B 299 -907.853 17.561 113.470 1.00852.91 P ATOM 5487 O1P C B 299 -909.141 17.696 112.743 1.00852.91 O ATOM 5488 O2P C B 299 -907.686 16.483 114.478 1.00852.91 O ATOM 5489 O5* C B 299 -906.682 17.418 112.401 1.00852.91 O ATOM 5490 C5* C B 299 -906.850 17.904 111.072 1.00852.91 C ATOM 5491 C4* C B 299 -906.166 16.979 110.091 1.00852.91 C ATOM 5492 O4* C B 299 -904.727 17.047 110.279 1.00852.91 O ATOM 5493 C3* C B 299 -906.473 15.499 110.203 1.00852.91 C ATOM 5494 O3* C B 299 -907.697 15.193 109.546 1.00852.91 O ATOM 5495 C2* C B 299 -905.267 14.858 109.524 1.00852.91 C ATOM 5496 O2* C B 299 -905.378 14.842 108.117 1.00852.91 O ATOM 5497 C1* C B 299 -904.141 15.805 109.943 1.00852.91 C ATOM 5498 N1 C B 299 -903.418 15.299 111.121 1.00852.91 N ATOM 5499 C2 C B 299 -902.796 14.049 111.046 1.00852.91 C ATOM 5500 O2 C B 299 -902.846 13.415 109.981 1.00852.91 O ATOM 5501 N3 C B 299 -902.150 13.566 112.132 1.00852.91 N ATOM 5502 C4 C B 299 -902.115 14.281 113.260 1.00852.91 C ATOM 5503 N4 C B 299 -901.479 13.763 114.313 1.00852.91 N ATOM 5504 C5 C B 299 -902.733 15.562 113.359 1.00852.91 C ATOM 5505 C6 C B 299 -903.365 16.030 112.276 1.00852.91 C ATOM 5506 P C B 300 -908.097 13.656 109.297 1.00852.91 P ATOM 5507 O1P C B 300 -909.570 13.551 109.453 1.00852.91 O ATOM 5508 O2P C B 300 -907.208 12.812 110.138 1.00852.91 O ATOM 5509 O5* C B 300 -907.735 13.396 107.771 1.00852.91 O ATOM 5510 C5* C B 300 -908.589 13.853 106.726 1.00852.91 C ATOM 5511 C4* C B 300 -908.001 13.492 105.384 1.00852.91 C ATOM 5512 O4* C B 300 -906.818 14.308 105.161 1.00852.91 O ATOM 5513 C3* C B 300 -907.469 12.098 105.088 1.00852.91 C ATOM 5514 O3* C B 300 -908.503 11.162 104.810 1.00852.91 O ATOM 5515 C2* C B 300 -906.568 12.319 103.883 1.00852.91 C ATOM 5516 O2* C B 300 -907.285 12.344 102.667 1.00852.91 O ATOM 5517 C1* C B 300 -905.997 13.705 104.178 1.00852.91 C ATOM 5518 N1 C B 300 -904.632 13.619 104.713 1.00852.91 N ATOM 5519 C2 C B 300 -903.572 14.123 103.959 1.00852.91 C ATOM 5520 O2 C B 300 -903.817 14.651 102.862 1.00852.91 O ATOM 5521 N3 C B 300 -902.311 14.022 104.436 1.00852.91 N ATOM 5522 C4 C B 300 -902.090 13.450 105.620 1.00852.91 C ATOM 5523 N4 C B 300 -900.831 13.366 106.051 1.00852.91 N ATOM 5524 C5 C B 300 -903.153 12.935 106.418 1.00852.91 C ATOM 5525 C6 C B 300 -904.396 13.043 105.932 1.00852.91 C ATOM 5526 P C B 301 -908.369 9.650 105.345 1.00852.91 P ATOM 5527 O1P C B 301 -908.619 8.749 104.192 1.00852.91 O ATOM 5528 O2P C B 301 -909.189 9.515 106.575 1.00852.91 O ATOM 5529 O5* C B 301 -906.832 9.512 105.751 1.00852.91 O ATOM 5530 C5* C B 301 -905.842 9.195 104.775 1.00852.91 C ATOM 5531 C4* C B 301 -904.637 8.555 105.432 1.00852.91 C ATOM 5532 O4* C B 301 -903.928 9.538 106.230 1.00852.91 O ATOM 5533 C3* C B 301 -904.877 7.412 106.406 1.00852.91 C ATOM 5534 O3* C B 301 -905.063 6.184 105.715 1.00852.91 O ATOM 5535 C2* C B 301 -903.601 7.404 107.242 1.00852.91 C ATOM 5536 O2* C B 301 -902.558 6.670 106.629 1.00852.91 O ATOM 5537 C1* C B 301 -903.227 8.886 107.273 1.00852.91 C ATOM 5538 N1 C B 301 -903.565 9.542 108.548 1.00852.91 N ATOM 5539 C2 C B 301 -902.899 9.137 109.709 1.00852.91 C ATOM 5540 O2 C B 301 -902.045 8.243 109.629 1.00852.91 O ATOM 5541 N3 C B 301 -903.205 9.730 110.885 1.00852.91 N ATOM 5542 C4 C B 301 -904.134 10.687 110.928 1.00852.91 C ATOM 5543 N4 C B 301 -904.403 11.246 112.111 1.00852.91 N ATOM 5544 C5 C B 301 -904.826 11.117 109.761 1.00852.91 C ATOM 5545 C6 C B 301 -904.516 10.522 108.601 1.00852.91 C ATOM 5546 P U B 302 -905.740 4.941 106.474 1.00852.91 P ATOM 5547 O1P U B 302 -906.966 4.577 105.722 1.00852.91 O ATOM 5548 O2P U B 302 -905.839 5.278 107.920 1.00852.91 O ATOM 5549 O5* U B 302 -904.679 3.760 106.307 1.00852.91 O ATOM 5550 C5* U B 302 -904.245 2.993 107.427 1.00852.91 C ATOM 5551 C4* U B 302 -902.751 3.149 107.613 1.00852.91 C ATOM 5552 O4* U B 302 -902.462 4.507 108.036 1.00852.91 O ATOM 5553 C3* U B 302 -902.141 2.285 108.701 1.00852.91 C ATOM 5554 O3* U B 302 -901.806 1.003 108.180 1.00852.91 O ATOM 5555 C2* U B 302 -900.889 3.061 109.099 1.00852.91 C ATOM 5556 O2* U B 302 -899.794 2.793 108.249 1.00852.91 O ATOM 5557 C1* U B 302 -901.343 4.510 108.902 1.00852.91 C ATOM 5558 N1 U B 302 -901.736 5.178 110.149 1.00852.91 N ATOM 5559 C2 U B 302 -900.734 5.674 110.963 1.00852.91 C ATOM 5560 O2 U B 302 -899.548 5.567 110.699 1.00852.91 O ATOM 5561 N3 U B 302 -901.174 6.301 112.104 1.00852.91 N ATOM 5562 C4 U B 302 -902.483 6.480 112.500 1.00852.91 C ATOM 5563 O4 U B 302 -902.726 7.118 113.523 1.00852.91 O ATOM 5564 C5 U B 302 -903.457 5.926 111.612 1.00852.91 C ATOM 5565 C6 U B 302 -903.058 5.311 110.493 1.00852.91 C ATOM 5566 P C B 303 -902.515 -0.311 108.780 1.00852.91 P ATOM 5567 O1P C B 303 -902.059 -1.465 107.964 1.00852.91 O ATOM 5568 O2P C B 303 -903.968 -0.038 108.916 1.00852.91 O ATOM 5569 O5* C B 303 -901.895 -0.464 110.243 1.00852.91 O ATOM 5570 C5* C B 303 -900.599 -1.021 110.433 1.00852.91 C ATOM 5571 C4* C B 303 -900.290 -1.151 111.912 1.00852.91 C ATOM 5572 O4* C B 303 -899.958 0.149 112.459 1.00852.91 O ATOM 5573 C3* C B 303 -901.404 -1.630 112.829 1.00852.91 C ATOM 5574 O3* C B 303 -901.506 -3.050 112.819 1.00852.91 O ATOM 5575 C2* C B 303 -900.973 -1.125 114.203 1.00852.91 C ATOM 5576 O2* C B 303 -900.091 -2.015 114.858 1.00852.91 O ATOM 5577 C1* C B 303 -900.226 0.162 113.850 1.00852.91 C ATOM 5578 N1 C B 303 -900.974 1.388 114.174 1.00852.91 N ATOM 5579 C2 C B 303 -900.504 2.215 115.201 1.00852.91 C ATOM 5580 O2 C B 303 -899.473 1.890 115.810 1.00852.91 O ATOM 5581 N3 C B 303 -901.177 3.348 115.498 1.00852.91 N ATOM 5582 C4 C B 303 -902.280 3.667 114.817 1.00852.91 C ATOM 5583 N4 C B 303 -902.910 4.799 115.145 1.00852.91 N ATOM 5584 C5 C B 303 -902.787 2.841 113.773 1.00852.91 C ATOM 5585 C6 C B 303 -902.109 1.719 113.488 1.00852.91 C ATOM 5586 P A B 304 -902.863 -3.749 112.315 1.00852.91 P ATOM 5587 O1P A B 304 -902.814 -3.796 110.831 1.00852.91 O ATOM 5588 O2P A B 304 -904.010 -3.085 112.987 1.00852.91 O ATOM 5589 O5* A B 304 -902.762 -5.241 112.858 1.00852.91 O ATOM 5590 C5* A B 304 -903.519 -5.659 113.991 1.00852.91 C ATOM 5591 C4* A B 304 -902.625 -5.791 115.200 1.00852.91 C ATOM 5592 O4* A B 304 -902.034 -4.505 115.521 1.00852.91 O ATOM 5593 C3* A B 304 -903.326 -6.211 116.471 1.00852.91 C ATOM 5594 O3* A B 304 -903.453 -7.632 116.507 1.00852.91 O ATOM 5595 C2* A B 304 -902.424 -5.664 117.569 1.00852.91 C ATOM 5596 O2* A B 304 -901.338 -6.520 117.864 1.00852.91 O ATOM 5597 C1* A B 304 -901.897 -4.376 116.923 1.00852.91 C ATOM 5598 N9 A B 304 -902.634 -3.180 117.332 1.00852.91 N ATOM 5599 C8 A B 304 -903.981 -3.086 117.573 1.00852.91 C ATOM 5600 N7 A B 304 -904.376 -1.884 117.920 1.00852.91 N ATOM 5601 C5 A B 304 -903.207 -1.134 117.909 1.00852.91 C ATOM 5602 C6 A B 304 -902.950 0.216 118.186 1.00852.91 C ATOM 5603 N6 A B 304 -903.894 1.091 118.543 1.00852.91 N ATOM 5604 N1 A B 304 -901.673 0.651 118.086 1.00852.91 N ATOM 5605 C2 A B 304 -900.728 -0.231 117.725 1.00852.91 C ATOM 5606 N3 A B 304 -900.846 -1.524 117.439 1.00852.91 N ATOM 5607 C4 A B 304 -902.125 -1.923 117.549 1.00852.91 C ATOM 5608 P A B 305 -904.910 -8.302 116.635 1.00852.91 P ATOM 5609 O1P A B 305 -904.852 -9.619 115.948 1.00852.91 O ATOM 5610 O2P A B 305 -905.918 -7.298 116.208 1.00852.91 O ATOM 5611 O5* A B 305 -905.096 -8.563 118.194 1.00852.91 O ATOM 5612 C5* A B 305 -905.029 -7.488 119.125 1.00852.91 C ATOM 5613 C4* A B 305 -905.942 -7.740 120.299 1.00852.91 C ATOM 5614 O4* A B 305 -905.912 -6.578 121.167 1.00852.91 O ATOM 5615 C3* A B 305 -907.404 -7.915 119.954 1.00852.91 C ATOM 5616 O3* A B 305 -907.676 -9.273 119.620 1.00852.91 O ATOM 5617 C2* A B 305 -908.110 -7.487 121.232 1.00852.91 C ATOM 5618 O2* A B 305 -908.179 -8.524 122.191 1.00852.91 O ATOM 5619 C1* A B 305 -907.191 -6.373 121.737 1.00852.91 C ATOM 5620 N9 A B 305 -907.655 -5.051 121.320 1.00852.91 N ATOM 5621 C8 A B 305 -908.062 -4.677 120.064 1.00852.91 C ATOM 5622 N7 A B 305 -908.439 -3.425 119.979 1.00852.91 N ATOM 5623 C5 A B 305 -908.267 -2.940 121.270 1.00852.91 C ATOM 5624 C6 A B 305 -908.494 -1.678 121.841 1.00852.91 C ATOM 5625 N6 A B 305 -908.962 -0.631 121.160 1.00852.91 N ATOM 5626 N1 A B 305 -908.219 -1.526 123.155 1.00852.91 N ATOM 5627 C2 A B 305 -907.750 -2.579 123.836 1.00852.91 C ATOM 5628 N3 A B 305 -907.500 -3.815 123.412 1.00852.91 N ATOM 5629 C4 A B 305 -907.782 -3.930 122.104 1.00852.91 C ATOM 5630 P G B 306 -908.510 -9.618 118.284 1.00852.91 P ATOM 5631 O1P G B 306 -908.737 -11.085 118.275 1.00852.91 O ATOM 5632 O2P G B 306 -907.826 -8.973 117.135 1.00852.91 O ATOM 5633 O5* G B 306 -909.923 -8.903 118.487 1.00852.91 O ATOM 5634 C5* G B 306 -910.650 -9.039 119.708 1.00852.91 C ATOM 5635 C4* G B 306 -911.545 -7.839 119.924 1.00852.91 C ATOM 5636 O4* G B 306 -910.780 -6.629 119.683 1.00852.91 O ATOM 5637 C3* G B 306 -912.697 -7.697 118.960 1.00852.91 C ATOM 5638 O3* G B 306 -913.794 -8.489 119.402 1.00852.91 O ATOM 5639 C2* G B 306 -913.023 -6.210 119.005 1.00852.91 C ATOM 5640 O2* G B 306 -913.881 -5.870 120.076 1.00852.91 O ATOM 5641 C1* G B 306 -911.643 -5.595 119.236 1.00852.91 C ATOM 5642 N9 G B 306 -911.097 -5.031 118.009 1.00852.91 N ATOM 5643 C8 G B 306 -910.060 -5.519 117.252 1.00852.91 C ATOM 5644 N7 G B 306 -909.822 -4.805 116.186 1.00852.91 N ATOM 5645 C5 G B 306 -910.755 -3.778 116.248 1.00852.91 C ATOM 5646 C6 G B 306 -910.992 -2.692 115.361 1.00852.91 C ATOM 5647 O6 G B 306 -910.407 -2.411 114.306 1.00852.91 O ATOM 5648 N1 G B 306 -912.033 -1.889 115.805 1.00852.91 N ATOM 5649 C2 G B 306 -912.760 -2.098 116.950 1.00852.91 C ATOM 5650 N2 G B 306 -913.727 -1.208 117.213 1.00852.91 N ATOM 5651 N3 G B 306 -912.556 -3.105 117.780 1.00852.91 N ATOM 5652 C4 G B 306 -911.543 -3.899 117.367 1.00852.91 C ATOM 5653 P C B 307 -915.042 -8.745 118.420 1.00852.91 P ATOM 5654 O1P C B 307 -915.997 -9.626 119.138 1.00852.91 O ATOM 5655 O2P C B 307 -914.512 -9.157 117.095 1.00852.91 O ATOM 5656 O5* C B 307 -915.721 -7.312 118.260 1.00852.91 O ATOM 5657 C5* C B 307 -916.617 -6.812 119.249 1.00852.91 C ATOM 5658 C4* C B 307 -917.677 -5.943 118.615 1.00852.91 C ATOM 5659 O4* C B 307 -917.099 -4.656 118.277 1.00852.91 O ATOM 5660 C3* C B 307 -918.207 -6.484 117.286 1.00852.91 C ATOM 5661 O3* C B 307 -919.266 -7.423 117.423 1.00852.91 O ATOM 5662 C2* C B 307 -918.672 -5.218 116.576 1.00852.91 C ATOM 5663 O2* C B 307 -919.965 -4.814 116.975 1.00852.91 O ATOM 5664 C1* C B 307 -917.646 -4.189 117.058 1.00852.91 C ATOM 5665 N1 C B 307 -916.546 -3.981 116.103 1.00852.91 N ATOM 5666 C2 C B 307 -916.610 -2.885 115.243 1.00852.91 C ATOM 5667 O2 C B 307 -917.589 -2.129 115.317 1.00852.91 O ATOM 5668 N3 C B 307 -915.613 -2.678 114.356 1.00852.91 N ATOM 5669 C4 C B 307 -914.578 -3.519 114.309 1.00852.91 C ATOM 5670 N4 C B 307 -913.616 -3.277 113.413 1.00852.91 N ATOM 5671 C5 C B 307 -914.485 -4.647 115.178 1.00852.91 C ATOM 5672 C6 C B 307 -915.482 -4.838 116.052 1.00852.91 C ATOM 5673 P C B 308 -919.133 -8.880 116.753 1.00852.91 P ATOM 5674 O1P C B 308 -918.973 -9.859 117.858 1.00852.91 O ATOM 5675 O2P C B 308 -918.107 -8.812 115.682 1.00852.91 O ATOM 5676 O5* C B 308 -920.553 -9.130 116.076 1.00852.91 O ATOM 5677 C5* C B 308 -921.738 -8.609 116.663 1.00852.91 C ATOM 5678 C4* C B 308 -922.413 -7.643 115.716 1.00852.91 C ATOM 5679 O4* C B 308 -921.544 -6.507 115.481 1.00852.91 O ATOM 5680 C3* C B 308 -922.697 -8.186 114.323 1.00852.91 C ATOM 5681 O3* C B 308 -923.909 -8.926 114.261 1.00852.91 O ATOM 5682 C2* C B 308 -922.775 -6.917 113.479 1.00852.91 C ATOM 5683 O2* C B 308 -924.052 -6.309 113.527 1.00852.91 O ATOM 5684 C1* C B 308 -921.752 -6.014 114.168 1.00852.91 C ATOM 5685 N1 C B 308 -920.460 -5.979 113.464 1.00852.91 N ATOM 5686 C2 C B 308 -920.248 -4.968 112.525 1.00852.91 C ATOM 5687 O2 C B 308 -921.159 -4.154 112.309 1.00852.91 O ATOM 5688 N3 C B 308 -919.066 -4.908 111.871 1.00852.91 N ATOM 5689 C4 C B 308 -918.117 -5.810 112.127 1.00852.91 C ATOM 5690 N4 C B 308 -916.961 -5.708 111.461 1.00852.91 N ATOM 5691 C5 C B 308 -918.311 -6.859 113.075 1.00852.91 C ATOM 5692 C6 C B 308 -919.485 -6.902 113.717 1.00852.91 C ATOM 5693 P G B 309 -923.960 -10.281 113.397 1.00852.91 P ATOM 5694 O1P G B 309 -925.355 -10.793 113.436 1.00852.91 O ATOM 5695 O2P G B 309 -922.832 -11.170 113.773 1.00852.91 O ATOM 5696 O5* G B 309 -923.671 -9.806 111.921 1.00852.91 O ATOM 5697 C5* G B 309 -924.638 -9.100 111.181 1.00852.91 C ATOM 5698 C4* G B 309 -924.143 -8.981 109.780 1.00852.91 C ATOM 5699 O4* G B 309 -923.030 -8.054 109.796 1.00852.91 O ATOM 5700 C3* G B 309 -923.576 -10.247 109.186 1.00852.91 C ATOM 5701 O3* G B 309 -924.633 -10.988 108.598 1.00852.91 O ATOM 5702 C2* G B 309 -922.564 -9.734 108.173 1.00852.91 C ATOM 5703 O2* G B 309 -923.166 -9.384 106.946 1.00852.91 O ATOM 5704 C1* G B 309 -922.053 -8.471 108.863 1.00852.91 C ATOM 5705 N9 G B 309 -920.792 -8.663 109.571 1.00852.91 N ATOM 5706 C8 G B 309 -920.583 -9.245 110.801 1.00852.91 C ATOM 5707 N7 G B 309 -919.323 -9.278 111.145 1.00852.91 N ATOM 5708 C5 G B 309 -918.665 -8.677 110.081 1.00852.91 C ATOM 5709 C6 G B 309 -917.282 -8.430 109.874 1.00852.91 C ATOM 5710 O6 G B 309 -916.329 -8.697 110.619 1.00852.91 O ATOM 5711 N1 G B 309 -917.057 -7.797 108.650 1.00852.91 N ATOM 5712 C2 G B 309 -918.034 -7.451 107.740 1.00852.91 C ATOM 5713 N2 G B 309 -917.629 -6.850 106.607 1.00852.91 N ATOM 5714 N3 G B 309 -919.320 -7.682 107.923 1.00852.91 N ATOM 5715 C4 G B 309 -919.560 -8.293 109.105 1.00852.91 C ATOM 5716 P A B 310 -925.249 -12.252 109.370 1.00852.91 P ATOM 5717 O1P A B 310 -925.348 -11.902 110.810 1.00852.91 O ATOM 5718 O2P A B 310 -924.503 -13.472 108.962 1.00852.91 O ATOM 5719 O5* A B 310 -926.728 -12.349 108.789 1.00852.91 O ATOM 5720 C5* A B 310 -927.495 -11.175 108.546 1.00852.91 C ATOM 5721 C4* A B 310 -927.787 -11.050 107.072 1.00852.91 C ATOM 5722 O4* A B 310 -926.565 -10.791 106.341 1.00852.91 O ATOM 5723 C3* A B 310 -928.381 -12.294 106.435 1.00852.91 C ATOM 5724 O3* A B 310 -929.793 -12.317 106.615 1.00852.91 O ATOM 5725 C2* A B 310 -927.958 -12.172 104.972 1.00852.91 C ATOM 5726 O2* A B 310 -928.845 -11.381 104.214 1.00852.91 O ATOM 5727 C1* A B 310 -926.606 -11.453 105.093 1.00852.91 C ATOM 5728 N9 A B 310 -925.415 -12.303 105.002 1.00852.91 N ATOM 5729 C8 A B 310 -924.684 -12.817 106.046 1.00852.91 C ATOM 5730 N7 A B 310 -923.624 -13.487 105.668 1.00852.91 N ATOM 5731 C5 A B 310 -923.665 -13.424 104.282 1.00852.91 C ATOM 5732 C6 A B 310 -922.813 -13.931 103.287 1.00852.91 C ATOM 5733 N6 A B 310 -921.700 -14.625 103.548 1.00852.91 N ATOM 5734 N1 A B 310 -923.141 -13.697 101.999 1.00852.91 N ATOM 5735 C2 A B 310 -924.251 -12.994 101.740 1.00852.91 C ATOM 5736 N3 A B 310 -925.127 -12.459 102.585 1.00852.91 N ATOM 5737 C4 A B 310 -924.774 -12.712 103.858 1.00852.91 C ATOM 5738 P A B 311 -930.409 -12.919 107.967 1.00852.91 P ATOM 5739 O1P A B 311 -931.148 -11.821 108.646 1.00852.91 O ATOM 5740 O2P A B 311 -929.343 -13.646 108.700 1.00852.91 O ATOM 5741 O5* A B 311 -931.476 -13.977 107.441 1.00852.91 O ATOM 5742 C5* A B 311 -932.602 -13.554 106.678 1.00852.91 C ATOM 5743 C4* A B 311 -932.550 -14.169 105.306 1.00852.91 C ATOM 5744 O4* A B 311 -931.342 -13.764 104.615 1.00852.91 O ATOM 5745 C3* A B 311 -932.523 -15.695 105.298 1.00852.91 C ATOM 5746 O3* A B 311 -933.811 -16.277 105.406 1.00852.91 O ATOM 5747 C2* A B 311 -931.827 -16.012 103.983 1.00852.91 C ATOM 5748 O2* A B 311 -932.708 -15.982 102.877 1.00852.91 O ATOM 5749 C1* A B 311 -930.822 -14.862 103.882 1.00852.91 C ATOM 5750 N9 A B 311 -929.520 -15.212 104.449 1.00852.91 N ATOM 5751 C8 A B 311 -929.233 -15.533 105.751 1.00852.91 C ATOM 5752 N7 A B 311 -927.972 -15.825 105.956 1.00852.91 N ATOM 5753 C5 A B 311 -927.388 -15.680 104.705 1.00852.91 C ATOM 5754 C6 A B 311 -926.070 -15.845 104.252 1.00852.91 C ATOM 5755 N6 A B 311 -925.055 -16.214 105.039 1.00852.91 N ATOM 5756 N1 A B 311 -925.821 -15.618 102.942 1.00852.91 N ATOM 5757 C2 A B 311 -926.837 -15.250 102.155 1.00852.91 C ATOM 5758 N3 A B 311 -928.117 -15.062 102.462 1.00852.91 N ATOM 5759 C4 A B 311 -928.330 -15.295 103.768 1.00852.91 C ATOM 5760 P G B 312 -934.148 -17.208 106.671 1.00852.91 P ATOM 5761 O1P G B 312 -935.305 -16.595 107.369 1.00852.91 O ATOM 5762 O2P G B 312 -932.886 -17.448 107.416 1.00852.91 O ATOM 5763 O5* G B 312 -934.604 -18.581 105.998 1.00852.91 O ATOM 5764 C5* G B 312 -934.239 -19.828 106.567 1.00852.91 C ATOM 5765 C4* G B 312 -935.425 -20.760 106.546 1.00852.91 C ATOM 5766 O4* G B 312 -935.892 -20.942 105.185 1.00852.91 O ATOM 5767 C3* G B 312 -935.131 -22.161 107.038 1.00852.91 C ATOM 5768 O3* G B 312 -935.121 -22.286 108.451 1.00852.91 O ATOM 5769 C2* G B 312 -936.234 -22.976 106.377 1.00852.91 C ATOM 5770 O2* G B 312 -937.458 -22.907 107.083 1.00852.91 O ATOM 5771 C1* G B 312 -936.383 -22.263 105.034 1.00852.91 C ATOM 5772 N9 G B 312 -935.620 -22.941 103.991 1.00852.91 N ATOM 5773 C8 G B 312 -934.383 -23.534 104.095 1.00852.91 C ATOM 5774 N7 G B 312 -933.991 -24.096 102.983 1.00852.91 N ATOM 5775 C5 G B 312 -935.026 -23.848 102.089 1.00852.91 C ATOM 5776 C6 G B 312 -935.177 -24.210 100.721 1.00852.91 C ATOM 5777 O6 G B 312 -934.404 -24.849 100.001 1.00852.91 O ATOM 5778 N1 G B 312 -936.384 -23.747 100.206 1.00852.91 N ATOM 5779 C2 G B 312 -937.324 -23.031 100.908 1.00852.91 C ATOM 5780 N2 G B 312 -938.420 -22.666 100.239 1.00852.91 N ATOM 5781 N3 G B 312 -937.195 -22.692 102.175 1.00852.91 N ATOM 5782 C4 G B 312 -936.032 -23.128 102.700 1.00852.91 C ATOM 5783 P U B 313 -934.453 -23.588 109.114 1.00852.91 P ATOM 5784 O1P U B 313 -934.414 -23.387 110.584 1.00852.91 O ATOM 5785 O2P U B 313 -933.199 -23.889 108.378 1.00852.91 O ATOM 5786 O5* U B 313 -935.509 -24.736 108.787 1.00852.91 O ATOM 5787 C5* U B 313 -935.135 -26.105 108.776 1.00852.91 C ATOM 5788 C4* U B 313 -936.223 -26.927 108.125 1.00852.91 C ATOM 5789 O4* U B 313 -936.499 -26.399 106.806 1.00852.91 O ATOM 5790 C3* U B 313 -935.945 -28.404 107.900 1.00852.91 C ATOM 5791 O3* U B 313 -936.217 -29.168 109.069 1.00852.91 O ATOM 5792 C2* U B 313 -936.884 -28.751 106.750 1.00852.91 C ATOM 5793 O2* U B 313 -938.193 -29.040 107.194 1.00852.91 O ATOM 5794 C1* U B 313 -936.900 -27.446 105.943 1.00852.91 C ATOM 5795 N1 U B 313 -935.990 -27.441 104.788 1.00852.91 N ATOM 5796 C2 U B 313 -936.536 -27.591 103.527 1.00852.91 C ATOM 5797 O2 U B 313 -937.727 -27.746 103.334 1.00852.91 O ATOM 5798 N3 U B 313 -935.628 -27.557 102.497 1.00852.91 N ATOM 5799 C4 U B 313 -934.261 -27.393 102.597 1.00852.91 C ATOM 5800 O4 U B 313 -933.575 -27.365 101.576 1.00852.91 O ATOM 5801 C5 U B 313 -933.776 -27.252 103.935 1.00852.91 C ATOM 5802 C6 U B 313 -934.634 -27.281 104.960 1.00852.91 C ATOM 5803 P G B 314 -935.627 -30.656 109.200 1.00852.91 P ATOM 5804 O1P G B 314 -935.661 -31.017 110.642 1.00852.91 O ATOM 5805 O2P G B 314 -934.347 -30.726 108.456 1.00852.91 O ATOM 5806 O5* G B 314 -936.697 -31.559 108.439 1.00852.91 O ATOM 5807 C5* G B 314 -937.986 -31.786 109.001 1.00852.91 C ATOM 5808 C4* G B 314 -938.867 -32.521 108.016 1.00852.91 C ATOM 5809 O4* G B 314 -938.929 -31.787 106.765 1.00852.91 O ATOM 5810 C3* G B 314 -938.427 -33.914 107.619 1.00852.91 C ATOM 5811 O3* G B 314 -938.815 -34.889 108.576 1.00852.91 O ATOM 5812 C2* G B 314 -939.118 -34.111 106.278 1.00852.91 C ATOM 5813 O2* G B 314 -940.465 -34.519 106.423 1.00852.91 O ATOM 5814 C1* G B 314 -939.065 -32.703 105.687 1.00852.91 C ATOM 5815 N9 G B 314 -937.923 -32.542 104.786 1.00852.91 N ATOM 5816 C8 G B 314 -936.614 -32.301 105.129 1.00852.91 C ATOM 5817 N7 G B 314 -935.816 -32.234 104.097 1.00852.91 N ATOM 5818 C5 G B 314 -936.646 -32.439 103.003 1.00852.91 C ATOM 5819 C6 G B 314 -936.354 -32.487 101.599 1.00852.91 C ATOM 5820 O6 G B 314 -935.264 -32.355 101.024 1.00852.91 O ATOM 5821 N1 G B 314 -937.498 -32.718 100.847 1.00852.91 N ATOM 5822 C2 G B 314 -938.761 -32.886 101.362 1.00852.91 C ATOM 5823 N2 G B 314 -939.736 -33.094 100.471 1.00852.91 N ATOM 5824 N3 G B 314 -939.047 -32.846 102.654 1.00852.91 N ATOM 5825 C4 G B 314 -937.954 -32.625 103.411 1.00852.91 C ATOM 5826 P G B 315 -937.960 -36.242 108.718 1.00852.91 P ATOM 5827 O1P G B 315 -938.514 -37.008 109.861 1.00852.91 O ATOM 5828 O2P G B 315 -936.517 -35.878 108.710 1.00852.91 O ATOM 5829 O5* G B 315 -938.278 -37.042 107.376 1.00852.91 O ATOM 5830 C5* G B 315 -939.279 -38.055 107.360 1.00852.91 C ATOM 5831 C4* G B 315 -939.165 -38.896 106.108 1.00852.91 C ATOM 5832 O4* G B 315 -939.348 -38.074 104.927 1.00852.91 O ATOM 5833 C3* G B 315 -937.861 -39.636 105.870 1.00852.91 C ATOM 5834 O3* G B 315 -937.855 -40.863 106.591 1.00852.91 O ATOM 5835 C2* G B 315 -937.873 -39.865 104.361 1.00852.91 C ATOM 5836 O2* G B 315 -938.615 -41.014 103.993 1.00852.91 O ATOM 5837 C1* G B 315 -938.596 -38.612 103.855 1.00852.91 C ATOM 5838 N9 G B 315 -937.675 -37.590 103.366 1.00852.91 N ATOM 5839 C8 G B 315 -937.026 -36.629 104.103 1.00852.91 C ATOM 5840 N7 G B 315 -936.261 -35.860 103.377 1.00852.91 N ATOM 5841 C5 G B 315 -936.417 -36.340 102.082 1.00852.91 C ATOM 5842 C6 G B 315 -935.832 -35.907 100.863 1.00852.91 C ATOM 5843 O6 G B 315 -935.037 -34.980 100.679 1.00852.91 O ATOM 5844 N1 G B 315 -936.263 -36.673 99.787 1.00852.91 N ATOM 5845 C2 G B 315 -937.142 -37.726 99.872 1.00852.91 C ATOM 5846 N2 G B 315 -937.432 -38.343 98.714 1.00852.91 N ATOM 5847 N3 G B 315 -937.694 -38.143 101.000 1.00852.91 N ATOM 5848 C4 G B 315 -937.287 -37.407 102.058 1.00852.91 C ATOM 5849 P C B 316 -936.456 -41.528 107.019 1.00852.91 P ATOM 5850 O1P C B 316 -936.749 -42.512 108.091 1.00852.91 O ATOM 5851 O2P C B 316 -935.480 -40.438 107.273 1.00852.91 O ATOM 5852 O5* C B 316 -935.990 -42.328 105.719 1.00852.91 O ATOM 5853 C5* C B 316 -936.825 -43.335 105.151 1.00852.91 C ATOM 5854 C4* C B 316 -936.218 -43.866 103.870 1.00852.91 C ATOM 5855 O4* C B 316 -935.989 -42.768 102.948 1.00852.91 O ATOM 5856 C3* C B 316 -934.869 -44.542 104.002 1.00852.91 C ATOM 5857 O3* C B 316 -935.018 -45.911 104.354 1.00852.91 O ATOM 5858 C2* C B 316 -934.274 -44.386 102.606 1.00852.91 C ATOM 5859 O2* C B 316 -934.743 -45.373 101.707 1.00852.91 O ATOM 5860 C1* C B 316 -934.816 -43.015 102.191 1.00852.91 C ATOM 5861 N1 C B 316 -933.844 -41.949 102.470 1.00852.91 N ATOM 5862 C2 C B 316 -933.015 -41.497 101.434 1.00852.91 C ATOM 5863 O2 C B 316 -933.136 -41.996 100.302 1.00852.91 O ATOM 5864 N3 C B 316 -932.102 -40.532 101.690 1.00852.91 N ATOM 5865 C4 C B 316 -932.003 -40.018 102.919 1.00852.91 C ATOM 5866 N4 C B 316 -931.086 -39.071 103.136 1.00852.91 N ATOM 5867 C5 C B 316 -932.839 -40.455 103.989 1.00852.91 C ATOM 5868 C6 C B 316 -933.739 -41.408 103.721 1.00852.91 C ATOM 5869 P U B 317 -933.837 -46.657 105.149 1.00852.91 P ATOM 5870 O1P U B 317 -934.347 -47.985 105.579 1.00852.91 O ATOM 5871 O2P U B 317 -933.302 -45.713 106.166 1.00852.91 O ATOM 5872 O5* U B 317 -932.703 -46.886 104.052 1.00852.91 O ATOM 5873 C5* U B 317 -932.767 -47.988 103.148 1.00852.91 C ATOM 5874 C4* U B 317 -931.482 -48.107 102.361 1.00852.91 C ATOM 5875 O4* U B 317 -931.329 -46.932 101.514 1.00852.91 O ATOM 5876 C3* U B 317 -930.228 -48.129 103.200 1.00852.91 C ATOM 5877 O3* U B 317 -929.918 -49.444 103.651 1.00852.91 O ATOM 5878 C2* U B 317 -929.168 -47.586 102.246 1.00852.91 C ATOM 5879 O2* U B 317 -928.677 -48.580 101.371 1.00852.91 O ATOM 5880 C1* U B 317 -929.964 -46.539 101.469 1.00852.91 C ATOM 5881 N1 U B 317 -929.863 -45.209 102.094 1.00852.91 N ATOM 5882 C2 U B 317 -928.813 -44.369 101.730 1.00852.91 C ATOM 5883 O2 U B 317 -927.976 -44.659 100.896 1.00852.91 O ATOM 5884 N3 U B 317 -928.782 -43.167 102.386 1.00852.91 N ATOM 5885 C4 U B 317 -929.664 -42.715 103.338 1.00852.91 C ATOM 5886 O4 U B 317 -929.488 -41.608 103.843 1.00852.91 O ATOM 5887 C5 U B 317 -930.720 -43.626 103.650 1.00852.91 C ATOM 5888 C6 U B 317 -930.782 -44.808 103.034 1.00852.91 C ATOM 5889 P G B 318 -929.182 -49.647 105.075 1.00852.91 P ATOM 5890 O1P G B 318 -928.544 -50.988 105.077 1.00852.91 O ATOM 5891 O2P G B 318 -930.153 -49.295 106.140 1.00852.91 O ATOM 5892 O5* G B 318 -928.027 -48.546 105.094 1.00852.91 O ATOM 5893 C5* G B 318 -927.647 -47.927 106.315 1.00852.91 C ATOM 5894 C4* G B 318 -927.117 -46.535 106.088 1.00852.91 C ATOM 5895 O4* G B 318 -928.231 -45.725 105.642 1.00852.91 O ATOM 5896 C3* G B 318 -926.595 -45.788 107.284 1.00852.91 C ATOM 5897 O3* G B 318 -925.241 -46.172 107.501 1.00852.91 O ATOM 5898 C2* G B 318 -926.743 -44.337 106.853 1.00852.91 C ATOM 5899 O2* G B 318 -925.703 -43.907 105.998 1.00852.91 O ATOM 5900 C1* G B 318 -928.054 -44.392 106.068 1.00852.91 C ATOM 5901 N9 G B 318 -929.221 -44.055 106.875 1.00852.91 N ATOM 5902 C8 G B 318 -930.008 -44.920 107.599 1.00852.91 C ATOM 5903 N7 G B 318 -930.994 -44.327 108.211 1.00852.91 N ATOM 5904 C5 G B 318 -930.846 -42.987 107.877 1.00852.91 C ATOM 5905 C6 G B 318 -931.617 -41.859 108.242 1.00852.91 C ATOM 5906 O6 G B 318 -932.623 -41.814 108.963 1.00852.91 O ATOM 5907 N1 G B 318 -931.112 -40.689 107.674 1.00852.91 N ATOM 5908 C2 G B 318 -930.004 -40.622 106.855 1.00852.91 C ATOM 5909 N2 G B 318 -929.664 -39.416 106.391 1.00852.91 N ATOM 5910 N3 G B 318 -929.279 -41.665 106.507 1.00852.91 N ATOM 5911 C4 G B 318 -929.750 -42.807 107.051 1.00852.91 C ATOM 5912 P G B 319 -924.529 -45.829 108.904 1.00852.91 P ATOM 5913 O1P G B 319 -923.189 -45.272 108.583 1.00852.91 O ATOM 5914 O2P G B 319 -924.640 -47.013 109.787 1.00852.91 O ATOM 5915 O5* G B 319 -925.412 -44.653 109.517 1.00852.91 O ATOM 5916 C5* G B 319 -925.444 -44.423 110.925 1.00852.91 C ATOM 5917 C4* G B 319 -925.017 -43.010 111.236 1.00852.91 C ATOM 5918 O4* G B 319 -923.618 -42.836 110.900 1.00852.91 O ATOM 5919 C3* G B 319 -925.719 -41.932 110.450 1.00852.91 C ATOM 5920 O3* G B 319 -926.954 -41.611 111.078 1.00852.91 O ATOM 5921 C2* G B 319 -924.732 -40.772 110.463 1.00852.91 C ATOM 5922 O2* G B 319 -924.847 -39.970 111.621 1.00852.91 O ATOM 5923 C1* G B 319 -923.386 -41.503 110.484 1.00852.91 C ATOM 5924 N9 G B 319 -922.708 -41.550 109.193 1.00852.91 N ATOM 5925 C8 G B 319 -923.303 -41.607 107.954 1.00852.91 C ATOM 5926 N7 G B 319 -922.441 -41.655 106.974 1.00852.91 N ATOM 5927 C5 G B 319 -921.204 -41.629 107.603 1.00852.91 C ATOM 5928 C6 G B 319 -919.894 -41.662 107.058 1.00852.91 C ATOM 5929 O6 G B 319 -919.557 -41.730 105.869 1.00852.91 O ATOM 5930 N1 G B 319 -918.927 -41.612 108.052 1.00852.91 N ATOM 5931 C2 G B 319 -919.179 -41.539 109.402 1.00852.91 C ATOM 5932 N2 G B 319 -918.105 -41.500 110.203 1.00852.91 N ATOM 5933 N3 G B 319 -920.393 -41.511 109.923 1.00852.91 N ATOM 5934 C4 G B 319 -921.352 -41.557 108.974 1.00852.91 C ATOM 5935 P A B 320 -928.269 -41.378 110.182 1.00852.91 P ATOM 5936 O1P A B 320 -929.280 -42.384 110.597 1.00852.91 O ATOM 5937 O2P A B 320 -927.852 -41.302 108.759 1.00852.91 O ATOM 5938 O5* A B 320 -928.783 -39.939 110.625 1.00852.91 O ATOM 5939 C5* A B 320 -929.307 -39.030 109.664 1.00852.91 C ATOM 5940 C4* A B 320 -929.185 -37.613 110.166 1.00852.91 C ATOM 5941 O4* A B 320 -927.863 -37.391 110.711 1.00852.91 O ATOM 5942 C3* A B 320 -929.268 -36.543 109.096 1.00852.91 C ATOM 5943 O3* A B 320 -930.640 -36.293 108.809 1.00852.91 O ATOM 5944 C2* A B 320 -928.542 -35.341 109.690 1.00852.91 C ATOM 5945 O2* A B 320 -929.398 -34.488 110.426 1.00852.91 O ATOM 5946 C1* A B 320 -927.545 -36.012 110.640 1.00852.91 C ATOM 5947 N9 A B 320 -926.147 -35.885 110.221 1.00852.91 N ATOM 5948 C8 A B 320 -925.224 -36.886 110.044 1.00852.91 C ATOM 5949 N7 A B 320 -924.044 -36.454 109.665 1.00852.91 N ATOM 5950 C5 A B 320 -924.202 -35.078 109.587 1.00852.91 C ATOM 5951 C6 A B 320 -923.319 -34.042 109.236 1.00852.91 C ATOM 5952 N6 A B 320 -922.045 -34.240 108.886 1.00852.91 N ATOM 5953 N1 A B 320 -923.793 -32.777 109.257 1.00852.91 N ATOM 5954 C2 A B 320 -925.071 -32.576 109.608 1.00852.91 C ATOM 5955 N3 A B 320 -925.997 -33.466 109.959 1.00852.91 N ATOM 5956 C4 A B 320 -925.495 -34.713 109.923 1.00852.91 C ATOM 5957 P A B 321 -931.188 -36.541 107.318 1.00852.91 P ATOM 5958 O1P A B 321 -932.050 -35.398 106.928 1.00852.91 O ATOM 5959 O2P A B 321 -931.732 -37.918 107.253 1.00852.91 O ATOM 5960 O5* A B 321 -929.865 -36.489 106.434 1.00852.91 O ATOM 5961 C5* A B 321 -929.928 -36.234 105.037 1.00852.91 C ATOM 5962 C4* A B 321 -928.542 -36.001 104.491 1.00852.91 C ATOM 5963 O4* A B 321 -927.778 -37.230 104.535 1.00852.91 O ATOM 5964 C3* A B 321 -928.497 -35.563 103.036 1.00852.91 C ATOM 5965 O3* A B 321 -928.685 -34.153 102.935 1.00852.91 O ATOM 5966 C2* A B 321 -927.097 -35.997 102.599 1.00852.91 C ATOM 5967 O2* A B 321 -926.112 -35.033 102.911 1.00852.91 O ATOM 5968 C1* A B 321 -926.864 -37.246 103.455 1.00852.91 C ATOM 5969 N9 A B 321 -926.918 -38.550 102.782 1.00852.91 N ATOM 5970 C8 A B 321 -927.997 -39.367 102.513 1.00852.91 C ATOM 5971 N7 A B 321 -927.672 -40.500 101.920 1.00852.91 N ATOM 5972 C5 A B 321 -926.293 -40.413 101.783 1.00852.91 C ATOM 5973 C6 A B 321 -925.334 -41.292 101.240 1.00852.91 C ATOM 5974 N6 A B 321 -925.628 -42.481 100.715 1.00852.91 N ATOM 5975 N1 A B 321 -924.044 -40.901 101.259 1.00852.91 N ATOM 5976 C2 A B 321 -923.738 -39.711 101.791 1.00852.91 C ATOM 5977 N3 A B 321 -924.539 -38.802 102.332 1.00852.91 N ATOM 5978 C4 A B 321 -925.817 -39.217 102.299 1.00852.91 C ATOM 5979 P A B 322 -929.614 -33.555 101.770 1.00852.91 P ATOM 5980 O1P A B 322 -930.293 -32.351 102.318 1.00852.91 O ATOM 5981 O2P A B 322 -930.423 -34.658 101.199 1.00852.91 O ATOM 5982 O5* A B 322 -928.567 -33.074 100.673 1.00852.91 O ATOM 5983 C5* A B 322 -928.841 -31.954 99.834 1.00852.91 C ATOM 5984 C4* A B 322 -927.608 -31.095 99.702 1.00852.91 C ATOM 5985 O4* A B 322 -927.304 -30.452 100.963 1.00852.91 O ATOM 5986 C3* A B 322 -926.349 -31.847 99.296 1.00852.91 C ATOM 5987 O3* A B 322 -926.275 -31.889 97.874 1.00852.91 O ATOM 5988 C2* A B 322 -925.228 -31.020 99.918 1.00852.91 C ATOM 5989 O2* A B 322 -924.804 -29.958 99.086 1.00852.91 O ATOM 5990 C1* A B 322 -925.904 -30.448 101.172 1.00852.91 C ATOM 5991 N9 A B 322 -925.616 -31.148 102.423 1.00852.91 N ATOM 5992 C8 A B 322 -926.443 -32.009 103.099 1.00852.91 C ATOM 5993 N7 A B 322 -925.931 -32.470 104.214 1.00852.91 N ATOM 5994 C5 A B 322 -924.678 -31.877 104.275 1.00852.91 C ATOM 5995 C6 A B 322 -923.641 -31.956 105.221 1.00852.91 C ATOM 5996 N6 A B 322 -923.703 -32.694 106.332 1.00852.91 N ATOM 5997 N1 A B 322 -922.522 -31.239 104.983 1.00852.91 N ATOM 5998 C2 A B 322 -922.460 -30.497 103.872 1.00852.91 C ATOM 5999 N3 A B 322 -923.368 -30.337 102.913 1.00852.91 N ATOM 6000 C4 A B 322 -924.468 -31.062 103.179 1.00852.91 C ATOM 6001 P G B 323 -925.240 -32.889 97.164 1.00852.91 P ATOM 6002 O1P G B 323 -924.637 -33.736 98.224 1.00852.91 O ATOM 6003 O2P G B 323 -924.359 -32.089 96.276 1.00852.91 O ATOM 6004 O5* G B 323 -926.143 -33.825 96.245 1.00852.91 O ATOM 6005 C5* G B 323 -925.568 -34.519 95.146 1.00852.91 C ATOM 6006 C4* G B 323 -926.289 -35.823 94.907 1.00852.91 C ATOM 6007 O4* G B 323 -926.299 -36.613 96.120 1.00852.91 O ATOM 6008 C3* G B 323 -927.749 -35.756 94.481 1.00852.91 C ATOM 6009 O3* G B 323 -927.883 -35.518 93.083 1.00852.91 O ATOM 6010 C2* G B 323 -928.282 -37.124 94.894 1.00852.91 C ATOM 6011 O2* G B 323 -928.008 -38.124 93.937 1.00852.91 O ATOM 6012 C1* G B 323 -927.471 -37.412 96.160 1.00852.91 C ATOM 6013 N9 G B 323 -928.176 -37.138 97.410 1.00852.91 N ATOM 6014 C8 G B 323 -927.935 -36.095 98.274 1.00852.91 C ATOM 6015 N7 G B 323 -928.700 -36.123 99.331 1.00852.91 N ATOM 6016 C5 G B 323 -929.493 -37.249 99.156 1.00852.91 C ATOM 6017 C6 G B 323 -930.505 -37.794 99.989 1.00852.91 C ATOM 6018 O6 G B 323 -930.904 -37.384 101.081 1.00852.91 O ATOM 6019 N1 G B 323 -931.067 -38.935 99.431 1.00852.91 N ATOM 6020 C2 G B 323 -930.701 -39.490 98.229 1.00852.91 C ATOM 6021 N2 G B 323 -931.380 -40.589 97.863 1.00852.91 N ATOM 6022 N3 G B 323 -929.748 -38.998 97.448 1.00852.91 N ATOM 6023 C4 G B 323 -929.192 -37.882 97.970 1.00852.91 C ATOM 6024 P C B 324 -929.246 -34.899 92.504 1.00852.91 P ATOM 6025 O1P C B 324 -929.177 -34.972 91.025 1.00852.91 O ATOM 6026 O2P C B 324 -929.484 -33.591 93.164 1.00852.91 O ATOM 6027 O5* C B 324 -930.361 -35.917 93.005 1.00852.91 O ATOM 6028 C5* C B 324 -930.529 -37.190 92.380 1.00852.91 C ATOM 6029 C4* C B 324 -931.921 -37.707 92.650 1.00852.91 C ATOM 6030 O4* C B 324 -931.942 -38.364 93.945 1.00852.91 O ATOM 6031 C3* C B 324 -933.032 -36.691 92.770 1.00852.91 C ATOM 6032 O3* C B 324 -933.466 -36.213 91.510 1.00852.91 O ATOM 6033 C2* C B 324 -934.098 -37.457 93.543 1.00852.91 C ATOM 6034 O2* C B 324 -934.851 -38.326 92.721 1.00852.91 O ATOM 6035 C1* C B 324 -933.236 -38.263 94.518 1.00852.91 C ATOM 6036 N1 C B 324 -933.094 -37.557 95.800 1.00852.91 N ATOM 6037 C2 C B 324 -934.036 -37.765 96.812 1.00852.91 C ATOM 6038 O2 C B 324 -934.957 -38.575 96.622 1.00852.91 O ATOM 6039 N3 C B 324 -933.917 -37.079 97.974 1.00852.91 N ATOM 6040 C4 C B 324 -932.908 -36.220 98.140 1.00852.91 C ATOM 6041 N4 C B 324 -932.840 -35.555 99.292 1.00852.91 N ATOM 6042 C5 C B 324 -931.928 -36.005 97.133 1.00852.91 C ATOM 6043 C6 C B 324 -932.059 -36.688 95.991 1.00852.91 C ATOM 6044 P U B 325 -933.802 -34.650 91.338 1.00852.91 P ATOM 6045 O1P U B 325 -934.318 -34.443 89.961 1.00852.91 O ATOM 6046 O2P U B 325 -932.618 -33.879 91.801 1.00852.91 O ATOM 6047 O5* U B 325 -934.987 -34.410 92.374 1.00852.91 O ATOM 6048 C5* U B 325 -936.244 -35.050 92.188 1.00852.91 C ATOM 6049 C4* U B 325 -937.266 -34.526 93.174 1.00852.91 C ATOM 6050 O4* U B 325 -936.988 -35.021 94.512 1.00852.91 O ATOM 6051 C3* U B 325 -937.331 -33.012 93.338 1.00852.91 C ATOM 6052 O3* U B 325 -938.072 -32.354 92.318 1.00852.91 O ATOM 6053 C2* U B 325 -937.994 -32.869 94.705 1.00852.91 C ATOM 6054 O2* U B 325 -939.399 -32.999 94.637 1.00852.91 O ATOM 6055 C1* U B 325 -937.404 -34.057 95.471 1.00852.91 C ATOM 6056 N1 U B 325 -936.247 -33.666 96.291 1.00852.91 N ATOM 6057 C2 U B 325 -936.466 -33.334 97.629 1.00852.91 C ATOM 6058 O2 U B 325 -937.561 -33.376 98.163 1.00852.91 O ATOM 6059 N3 U B 325 -935.344 -32.949 98.321 1.00852.91 N ATOM 6060 C4 U B 325 -934.053 -32.867 97.827 1.00852.91 C ATOM 6061 O4 U B 325 -933.146 -32.481 98.565 1.00852.91 O ATOM 6062 C5 U B 325 -933.912 -33.235 96.448 1.00852.91 C ATOM 6063 C6 U B 325 -934.987 -33.614 95.748 1.00852.91 C ATOM 6064 P A B 326 -937.802 -30.798 92.024 1.00852.91 P ATOM 6065 O1P A B 326 -938.322 -30.498 90.666 1.00852.91 O ATOM 6066 O2P A B 326 -936.383 -30.503 92.350 1.00852.91 O ATOM 6067 O5* A B 326 -938.721 -30.048 93.088 1.00852.91 O ATOM 6068 C5* A B 326 -940.087 -30.412 93.248 1.00852.91 C ATOM 6069 C4* A B 326 -940.592 -29.978 94.604 1.00852.91 C ATOM 6070 O4* A B 326 -939.943 -30.744 95.649 1.00852.91 O ATOM 6071 C3* A B 326 -940.321 -28.527 94.964 1.00852.91 C ATOM 6072 O3* A B 326 -941.318 -27.670 94.411 1.00852.91 O ATOM 6073 C2* A B 326 -940.350 -28.549 96.489 1.00852.91 C ATOM 6074 O2* A B 326 -941.662 -28.458 97.008 1.00852.91 O ATOM 6075 C1* A B 326 -939.775 -29.934 96.798 1.00852.91 C ATOM 6076 N9 A B 326 -938.354 -29.910 97.145 1.00852.91 N ATOM 6077 C8 A B 326 -937.271 -30.014 96.308 1.00852.91 C ATOM 6078 N7 A B 326 -936.117 -29.960 96.926 1.00852.91 N ATOM 6079 C5 A B 326 -936.465 -29.809 98.266 1.00852.91 C ATOM 6080 C6 A B 326 -935.694 -29.690 99.436 1.00852.91 C ATOM 6081 N6 A B 326 -934.360 -29.707 99.452 1.00852.91 N ATOM 6082 N1 A B 326 -936.353 -29.551 100.607 1.00852.91 N ATOM 6083 C2 A B 326 -937.690 -29.535 100.592 1.00852.91 C ATOM 6084 N3 A B 326 -938.523 -29.641 99.562 1.00852.91 N ATOM 6085 C4 A B 326 -937.838 -29.776 98.413 1.00852.91 C ATOM 6086 P C B 327 -941.025 -26.898 93.031 1.00852.91 P ATOM 6087 O1P C B 327 -941.687 -27.662 91.944 1.00852.91 O ATOM 6088 O2P C B 327 -939.569 -26.617 92.952 1.00852.91 O ATOM 6089 O5* C B 327 -941.792 -25.513 93.203 1.00852.91 O ATOM 6090 C5* C B 327 -941.087 -24.312 93.513 1.00852.91 C ATOM 6091 C4* C B 327 -941.455 -23.847 94.901 1.00852.91 C ATOM 6092 O4* C B 327 -941.246 -24.943 95.829 1.00852.91 O ATOM 6093 C3* C B 327 -940.606 -22.721 95.440 1.00852.91 C ATOM 6094 O3* C B 327 -941.137 -21.465 95.043 1.00852.91 O ATOM 6095 C2* C B 327 -940.692 -22.919 96.947 1.00852.91 C ATOM 6096 O2* C B 327 -941.861 -22.354 97.507 1.00852.91 O ATOM 6097 C1* C B 327 -940.752 -24.442 97.056 1.00852.91 C ATOM 6098 N1 C B 327 -939.419 -25.014 97.290 1.00852.91 N ATOM 6099 C2 C B 327 -939.023 -25.270 98.601 1.00852.91 C ATOM 6100 O2 C B 327 -939.826 -25.044 99.518 1.00852.91 O ATOM 6101 N3 C B 327 -937.785 -25.757 98.839 1.00852.91 N ATOM 6102 C4 C B 327 -936.957 -25.994 97.821 1.00852.91 C ATOM 6103 N4 C B 327 -935.738 -26.462 98.104 1.00852.91 N ATOM 6104 C5 C B 327 -937.342 -25.762 96.467 1.00852.91 C ATOM 6105 C6 C B 327 -938.570 -25.277 96.251 1.00852.91 C ATOM 6106 P A B 328 -940.198 -20.418 94.261 1.00852.91 P ATOM 6107 O1P A B 328 -940.999 -19.849 93.149 1.00852.91 O ATOM 6108 O2P A B 328 -938.900 -21.080 93.969 1.00852.91 O ATOM 6109 O5* A B 328 -939.938 -19.260 95.324 1.00852.91 O ATOM 6110 C5* A B 328 -941.032 -18.640 95.990 1.00852.91 C ATOM 6111 C4* A B 328 -940.645 -18.209 97.386 1.00852.91 C ATOM 6112 O4* A B 328 -940.151 -19.336 98.160 1.00852.91 O ATOM 6113 C3* A B 328 -939.544 -17.176 97.482 1.00852.91 C ATOM 6114 O3* A B 328 -940.055 -15.866 97.285 1.00852.91 O ATOM 6115 C2* A B 328 -939.037 -17.368 98.905 1.00852.91 C ATOM 6116 O2* A B 328 -939.839 -16.708 99.862 1.00852.91 O ATOM 6117 C1* A B 328 -939.182 -18.877 99.091 1.00852.91 C ATOM 6118 N9 A B 328 -937.903 -19.549 98.841 1.00852.91 N ATOM 6119 C8 A B 328 -937.365 -20.021 97.672 1.00852.91 C ATOM 6120 N7 A B 328 -936.166 -20.543 97.812 1.00852.91 N ATOM 6121 C5 A B 328 -935.903 -20.408 99.171 1.00852.91 C ATOM 6122 C6 A B 328 -934.795 -20.760 99.970 1.00852.91 C ATOM 6123 N6 A B 328 -933.692 -21.345 99.500 1.00852.91 N ATOM 6124 N1 A B 328 -934.861 -20.486 101.290 1.00852.91 N ATOM 6125 C2 A B 328 -935.962 -19.901 101.768 1.00852.91 C ATOM 6126 N3 A B 328 -937.063 -19.520 101.125 1.00852.91 N ATOM 6127 C4 A B 328 -936.969 -19.805 99.817 1.00852.91 C ATOM 6128 P C B 329 -939.063 -14.705 96.781 1.00852.91 P ATOM 6129 O1P C B 329 -939.871 -13.480 96.554 1.00852.91 O ATOM 6130 O2P C B 329 -938.232 -15.253 95.678 1.00852.91 O ATOM 6131 O5* C B 329 -938.114 -14.455 98.038 1.00852.91 O ATOM 6132 C5* C B 329 -938.645 -13.943 99.251 1.00852.91 C ATOM 6133 C4* C B 329 -937.688 -14.188 100.394 1.00852.91 C ATOM 6134 O4* C B 329 -937.347 -15.601 100.474 1.00852.91 O ATOM 6135 C3* C B 329 -936.364 -13.496 100.298 1.00852.91 C ATOM 6136 O3* C B 329 -936.518 -12.166 100.763 1.00852.91 O ATOM 6137 C2* C B 329 -935.463 -14.342 101.189 1.00852.91 C ATOM 6138 O2* C B 329 -935.600 -14.019 102.559 1.00852.91 O ATOM 6139 C1* C B 329 -936.012 -15.742 100.935 1.00852.91 C ATOM 6140 N1 C B 329 -935.232 -16.433 99.894 1.00852.91 N ATOM 6141 C2 C B 329 -934.245 -17.353 100.276 1.00852.91 C ATOM 6142 O2 C B 329 -934.073 -17.586 101.482 1.00852.91 O ATOM 6143 N3 C B 329 -933.504 -17.960 99.324 1.00852.91 N ATOM 6144 C4 C B 329 -933.718 -17.687 98.038 1.00852.91 C ATOM 6145 N4 C B 329 -932.956 -18.303 97.132 1.00852.91 N ATOM 6146 C5 C B 329 -934.722 -16.765 97.619 1.00852.91 C ATOM 6147 C6 C B 329 -935.449 -16.172 98.572 1.00852.91 C ATOM 6148 P C B 330 -935.485 -11.039 100.269 1.00852.91 P ATOM 6149 O1P C B 330 -935.645 -9.853 101.142 1.00852.91 O ATOM 6150 O2P C B 330 -935.640 -10.899 98.800 1.00852.91 O ATOM 6151 O5* C B 330 -934.070 -11.702 100.559 1.00852.91 O ATOM 6152 C5* C B 330 -933.524 -11.669 101.871 1.00852.91 C ATOM 6153 C4* C B 330 -932.017 -11.707 101.822 1.00852.91 C ATOM 6154 O4* C B 330 -931.540 -13.048 101.539 1.00852.91 O ATOM 6155 C3* C B 330 -931.359 -10.878 100.737 1.00852.91 C ATOM 6156 O3* C B 330 -931.305 -9.501 101.052 1.00852.91 O ATOM 6157 C2* C B 330 -929.972 -11.498 100.643 1.00852.91 C ATOM 6158 O2* C B 330 -929.103 -11.004 101.642 1.00852.91 O ATOM 6159 C1* C B 330 -930.270 -12.975 100.900 1.00852.91 C ATOM 6160 N1 C B 330 -930.315 -13.743 99.648 1.00852.91 N ATOM 6161 C2 C B 330 -929.106 -14.199 99.101 1.00852.91 C ATOM 6162 O2 C B 330 -928.047 -13.955 99.698 1.00852.91 O ATOM 6163 N3 C B 330 -929.125 -14.891 97.941 1.00852.91 N ATOM 6164 C4 C B 330 -930.283 -15.137 97.328 1.00852.91 C ATOM 6165 N4 C B 330 -930.249 -15.818 96.182 1.00852.91 N ATOM 6166 C5 C B 330 -931.526 -14.693 97.865 1.00852.91 C ATOM 6167 C6 C B 330 -931.497 -14.005 99.016 1.00852.91 C ATOM 6168 P U B 331 -931.578 -8.429 99.892 1.00852.91 P ATOM 6169 O1P U B 331 -931.583 -7.077 100.503 1.00852.91 O ATOM 6170 O2P U B 331 -932.764 -8.906 99.135 1.00852.91 O ATOM 6171 O5* U B 331 -930.303 -8.564 98.950 1.00852.91 O ATOM 6172 C5* U B 331 -928.995 -8.486 99.498 1.00852.91 C ATOM 6173 C4* U B 331 -927.958 -8.698 98.424 1.00852.91 C ATOM 6174 O4* U B 331 -928.148 -9.980 97.770 1.00852.91 O ATOM 6175 C3* U B 331 -927.917 -7.754 97.239 1.00852.91 C ATOM 6176 O3* U B 331 -927.283 -6.545 97.626 1.00852.91 O ATOM 6177 C2* U B 331 -927.118 -8.520 96.193 1.00852.91 C ATOM 6178 O2* U B 331 -925.725 -8.345 96.361 1.00852.91 O ATOM 6179 C1* U B 331 -927.490 -9.968 96.515 1.00852.91 C ATOM 6180 N1 U B 331 -928.384 -10.547 95.499 1.00852.91 N ATOM 6181 C2 U B 331 -927.805 -11.004 94.332 1.00852.91 C ATOM 6182 O2 U B 331 -926.602 -10.963 94.129 1.00852.91 O ATOM 6183 N3 U B 331 -928.684 -11.516 93.409 1.00852.91 N ATOM 6184 C4 U B 331 -930.052 -11.616 93.533 1.00852.91 C ATOM 6185 O4 U B 331 -930.712 -12.074 92.601 1.00852.91 O ATOM 6186 C5 U B 331 -930.577 -11.131 94.778 1.00852.91 C ATOM 6187 C6 U B 331 -929.744 -10.624 95.696 1.00852.91 C ATOM 6188 P C B 332 -926.989 -5.419 96.520 1.00852.91 P ATOM 6189 O1P C B 332 -926.957 -4.106 97.210 1.00852.91 O ATOM 6190 O2P C B 332 -927.922 -5.629 95.381 1.00852.91 O ATOM 6191 O5* C B 332 -925.519 -5.747 96.017 1.00852.91 O ATOM 6192 C5* C B 332 -925.171 -5.683 94.638 1.00852.91 C ATOM 6193 C4* C B 332 -923.731 -5.282 94.508 1.00852.91 C ATOM 6194 O4* C B 332 -923.588 -3.945 95.032 1.00852.91 O ATOM 6195 C3* C B 332 -922.743 -6.149 95.297 1.00852.91 C ATOM 6196 O3* C B 332 -922.347 -7.251 94.483 1.00852.91 O ATOM 6197 C2* C B 332 -921.619 -5.174 95.651 1.00852.91 C ATOM 6198 O2* C B 332 -920.545 -5.148 94.739 1.00852.91 O ATOM 6199 C1* C B 332 -922.351 -3.828 95.700 1.00852.91 C ATOM 6200 N1 C B 332 -922.589 -3.219 97.015 1.00852.91 N ATOM 6201 C2 C B 332 -921.980 -1.996 97.301 1.00852.91 C ATOM 6202 O2 C B 332 -921.295 -1.459 96.432 1.00852.91 O ATOM 6203 N3 C B 332 -922.161 -1.426 98.510 1.00852.91 N ATOM 6204 C4 C B 332 -922.928 -2.026 99.413 1.00852.91 C ATOM 6205 N4 C B 332 -923.074 -1.427 100.601 1.00852.91 N ATOM 6206 C5 C B 332 -923.578 -3.269 99.153 1.00852.91 C ATOM 6207 C6 C B 332 -923.382 -3.825 97.948 1.00852.91 C ATOM 6208 P A B 333 -922.255 -8.730 95.088 1.00852.91 P ATOM 6209 O1P A B 333 -921.288 -9.392 94.202 1.00852.91 O ATOM 6210 O2P A B 333 -923.627 -9.284 95.221 1.00852.91 O ATOM 6211 O5* A B 333 -921.600 -8.580 96.529 1.00852.91 O ATOM 6212 C5* A B 333 -920.251 -8.143 96.679 1.00852.91 C ATOM 6213 C4* A B 333 -919.835 -8.240 98.120 1.00852.91 C ATOM 6214 O4* A B 333 -920.831 -7.557 98.918 1.00852.91 O ATOM 6215 C3* A B 333 -919.799 -9.639 98.682 1.00852.91 C ATOM 6216 O3* A B 333 -918.518 -10.211 98.420 1.00852.91 O ATOM 6217 C2* A B 333 -920.049 -9.423 100.167 1.00852.91 C ATOM 6218 O2* A B 333 -918.871 -9.057 100.857 1.00852.91 O ATOM 6219 C1* A B 333 -921.006 -8.229 100.148 1.00852.91 C ATOM 6220 N9 A B 333 -922.412 -8.619 100.245 1.00852.91 N ATOM 6221 C8 A B 333 -923.323 -8.728 99.223 1.00852.91 C ATOM 6222 N7 A B 333 -924.520 -9.084 99.616 1.00852.91 N ATOM 6223 C5 A B 333 -924.392 -9.221 100.991 1.00852.91 C ATOM 6224 C6 A B 333 -925.304 -9.577 101.999 1.00852.91 C ATOM 6225 N6 A B 333 -926.588 -9.861 101.766 1.00852.91 N ATOM 6226 N1 A B 333 -924.852 -9.625 103.270 1.00852.91 N ATOM 6227 C2 A B 333 -923.568 -9.329 103.504 1.00852.91 C ATOM 6228 N3 A B 333 -922.613 -8.977 102.645 1.00852.91 N ATOM 6229 C4 A B 333 -923.096 -8.942 101.390 1.00852.91 C ATOM 6230 P G B 334 -918.293 -11.791 98.606 1.00852.91 P ATOM 6231 O1P G B 334 -919.334 -12.289 99.541 1.00852.91 O ATOM 6232 O2P G B 334 -916.858 -12.026 98.914 1.00852.91 O ATOM 6233 O5* G B 334 -918.602 -12.409 97.168 1.00852.91 O ATOM 6234 C5* G B 334 -919.940 -12.717 96.785 1.00852.91 C ATOM 6235 C4* G B 334 -920.336 -14.076 97.313 1.00852.91 C ATOM 6236 O4* G B 334 -921.774 -14.155 97.464 1.00852.91 O ATOM 6237 C3* G B 334 -919.971 -15.286 96.473 1.00852.91 C ATOM 6238 O3* G B 334 -918.634 -15.686 96.741 1.00852.91 O ATOM 6239 C2* G B 334 -920.970 -16.346 96.935 1.00852.91 C ATOM 6240 O2* G B 334 -920.519 -17.060 98.068 1.00852.91 O ATOM 6241 C1* G B 334 -922.183 -15.500 97.335 1.00852.91 C ATOM 6242 N9 G B 334 -923.333 -15.556 96.432 1.00852.91 N ATOM 6243 C8 G B 334 -923.489 -16.371 95.334 1.00852.91 C ATOM 6244 N7 G B 334 -924.646 -16.213 94.745 1.00852.91 N ATOM 6245 C5 G B 334 -925.283 -15.233 95.494 1.00852.91 C ATOM 6246 C6 G B 334 -926.571 -14.646 95.336 1.00852.91 C ATOM 6247 O6 G B 334 -927.431 -14.891 94.483 1.00852.91 O ATOM 6248 N1 G B 334 -926.812 -13.687 96.316 1.00852.91 N ATOM 6249 C2 G B 334 -925.941 -13.334 97.314 1.00852.91 C ATOM 6250 N2 G B 334 -926.363 -12.386 98.157 1.00852.91 N ATOM 6251 N3 G B 334 -924.743 -13.878 97.473 1.00852.91 N ATOM 6252 C4 G B 334 -924.483 -14.811 96.534 1.00852.91 C ATOM 6253 P A B 335 -917.876 -16.689 95.744 1.00852.91 P ATOM 6254 O1P A B 335 -917.870 -16.076 94.391 1.00852.91 O ATOM 6255 O2P A B 335 -918.436 -18.050 95.929 1.00852.91 O ATOM 6256 O5* A B 335 -916.388 -16.684 96.311 1.00852.91 O ATOM 6257 C5* A B 335 -915.922 -17.780 97.093 1.00852.91 C ATOM 6258 C4* A B 335 -914.433 -17.956 96.924 1.00852.91 C ATOM 6259 O4* A B 335 -913.752 -16.697 97.188 1.00852.91 O ATOM 6260 C3* A B 335 -913.744 -18.932 97.850 1.00852.91 C ATOM 6261 O3* A B 335 -913.913 -20.262 97.384 1.00852.91 O ATOM 6262 C2* A B 335 -912.296 -18.471 97.819 1.00852.91 C ATOM 6263 O2* A B 335 -911.598 -18.948 96.685 1.00852.91 O ATOM 6264 C1* A B 335 -912.464 -16.955 97.726 1.00852.91 C ATOM 6265 N9 A B 335 -912.392 -16.349 99.057 1.00852.91 N ATOM 6266 C8 A B 335 -913.405 -16.162 99.962 1.00852.91 C ATOM 6267 N7 A B 335 -913.015 -15.624 101.092 1.00852.91 N ATOM 6268 C5 A B 335 -911.647 -15.439 100.917 1.00852.91 C ATOM 6269 C6 A B 335 -910.647 -14.917 101.754 1.00852.91 C ATOM 6270 N6 A B 335 -910.875 -14.468 102.991 1.00852.91 N ATOM 6271 N1 A B 335 -909.385 -14.871 101.271 1.00852.91 N ATOM 6272 C2 A B 335 -909.156 -15.324 100.034 1.00852.91 C ATOM 6273 N3 A B 335 -910.011 -15.844 99.156 1.00852.91 N ATOM 6274 C4 A B 335 -911.253 -15.873 99.662 1.00852.91 C ATOM 6275 P A B 336 -913.897 -21.474 98.440 1.00852.91 P ATOM 6276 O1P A B 336 -913.936 -22.742 97.669 1.00852.91 O ATOM 6277 O2P A B 336 -914.934 -21.210 99.468 1.00852.91 O ATOM 6278 O5* A B 336 -912.468 -21.354 99.132 1.00852.91 O ATOM 6279 C5* A B 336 -911.420 -22.258 98.793 1.00852.91 C ATOM 6280 C4* A B 336 -910.515 -22.488 99.982 1.00852.91 C ATOM 6281 O4* A B 336 -910.131 -21.215 100.563 1.00852.91 O ATOM 6282 C3* A B 336 -911.136 -23.281 101.111 1.00852.91 C ATOM 6283 O3* A B 336 -910.932 -24.668 100.883 1.00852.91 O ATOM 6284 C2* A B 336 -910.386 -22.778 102.339 1.00852.91 C ATOM 6285 O2* A B 336 -909.138 -23.421 102.507 1.00852.91 O ATOM 6286 C1* A B 336 -910.165 -21.307 101.981 1.00852.91 C ATOM 6287 N9 A B 336 -911.278 -20.491 102.467 1.00852.91 N ATOM 6288 C8 A B 336 -912.231 -19.845 101.719 1.00852.91 C ATOM 6289 N7 A B 336 -913.136 -19.224 102.433 1.00852.91 N ATOM 6290 C5 A B 336 -912.744 -19.461 103.744 1.00852.91 C ATOM 6291 C6 A B 336 -913.292 -19.074 104.984 1.00852.91 C ATOM 6292 N6 A B 336 -914.403 -18.340 105.104 1.00852.91 N ATOM 6293 N1 A B 336 -912.656 -19.477 106.102 1.00852.91 N ATOM 6294 C2 A B 336 -911.547 -20.218 105.978 1.00852.91 C ATOM 6295 N3 A B 336 -910.939 -20.650 104.875 1.00852.91 N ATOM 6296 C4 A B 336 -911.595 -20.232 103.779 1.00852.91 C ATOM 6297 P G B 337 -912.069 -25.717 101.320 1.00852.91 P ATOM 6298 O1P G B 337 -911.600 -27.076 100.946 1.00852.91 O ATOM 6299 O2P G B 337 -913.370 -25.221 100.807 1.00852.91 O ATOM 6300 O5* G B 337 -912.096 -25.614 102.909 1.00852.91 O ATOM 6301 C5* G B 337 -910.901 -25.791 103.667 1.00852.91 C ATOM 6302 C4* G B 337 -911.043 -25.158 105.034 1.00852.91 C ATOM 6303 O4* G B 337 -911.640 -23.845 104.888 1.00852.91 O ATOM 6304 C3* G B 337 -911.949 -25.852 106.034 1.00852.91 C ATOM 6305 O3* G B 337 -911.278 -26.926 106.683 1.00852.91 O ATOM 6306 C2* G B 337 -912.297 -24.725 106.999 1.00852.91 C ATOM 6307 O2* G B 337 -911.282 -24.497 107.956 1.00852.91 O ATOM 6308 C1* G B 337 -912.390 -23.531 106.052 1.00852.91 C ATOM 6309 N9 G B 337 -913.772 -23.286 105.653 1.00852.91 N ATOM 6310 C8 G B 337 -914.322 -23.443 104.404 1.00852.91 C ATOM 6311 N7 G B 337 -915.601 -23.192 104.371 1.00852.91 N ATOM 6312 C5 G B 337 -915.914 -22.838 105.676 1.00852.91 C ATOM 6313 C6 G B 337 -917.157 -22.468 106.256 1.00852.91 C ATOM 6314 O6 G B 337 -918.265 -22.377 105.716 1.00852.91 O ATOM 6315 N1 G B 337 -917.024 -22.189 107.613 1.00852.91 N ATOM 6316 C2 G B 337 -915.847 -22.263 108.322 1.00852.91 C ATOM 6317 N2 G B 337 -915.923 -21.951 109.625 1.00852.91 N ATOM 6318 N3 G B 337 -914.687 -22.609 107.795 1.00852.91 N ATOM 6319 C4 G B 337 -914.794 -22.883 106.477 1.00852.91 C ATOM 6320 P G B 338 -912.109 -28.234 107.104 1.00852.91 P ATOM 6321 O1P G B 338 -911.142 -29.341 107.302 1.00852.91 O ATOM 6322 O2P G B 338 -913.234 -28.404 106.151 1.00852.91 O ATOM 6323 O5* G B 338 -912.724 -27.858 108.527 1.00852.91 O ATOM 6324 C5* G B 338 -911.928 -27.929 109.706 1.00852.91 C ATOM 6325 C4* G B 338 -912.775 -27.669 110.925 1.00852.91 C ATOM 6326 O4* G B 338 -913.430 -26.379 110.783 1.00852.91 O ATOM 6327 C3* G B 338 -913.911 -28.639 111.145 1.00852.91 C ATOM 6328 O3* G B 338 -913.460 -29.797 111.834 1.00852.91 O ATOM 6329 C2* G B 338 -914.903 -27.821 111.962 1.00852.91 C ATOM 6330 O2* G B 338 -914.575 -27.775 113.335 1.00852.91 O ATOM 6331 C1* G B 338 -914.737 -26.443 111.329 1.00852.91 C ATOM 6332 N9 G B 338 -915.702 -26.292 110.243 1.00852.91 N ATOM 6333 C8 G B 338 -915.618 -26.795 108.967 1.00852.91 C ATOM 6334 N7 G B 338 -916.674 -26.527 108.241 1.00852.91 N ATOM 6335 C5 G B 338 -917.496 -25.794 109.092 1.00852.91 C ATOM 6336 C6 G B 338 -918.792 -25.216 108.876 1.00852.91 C ATOM 6337 O6 G B 338 -919.497 -25.230 107.863 1.00852.91 O ATOM 6338 N1 G B 338 -919.254 -24.564 110.012 1.00852.91 N ATOM 6339 C2 G B 338 -918.577 -24.470 111.195 1.00852.91 C ATOM 6340 N2 G B 338 -919.193 -23.800 112.175 1.00852.91 N ATOM 6341 N3 G B 338 -917.381 -24.994 111.412 1.00852.91 N ATOM 6342 C4 G B 338 -916.905 -25.635 110.325 1.00852.91 C ATOM 6343 P U B 339 -914.210 -31.200 111.585 1.00852.91 P ATOM 6344 O1P U B 339 -913.422 -32.270 112.247 1.00852.91 O ATOM 6345 O2P U B 339 -914.513 -31.304 110.133 1.00852.91 O ATOM 6346 O5* U B 339 -915.594 -31.037 112.361 1.00852.91 O ATOM 6347 C5* U B 339 -915.615 -30.844 113.771 1.00852.91 C ATOM 6348 C4* U B 339 -917.001 -30.480 114.242 1.00852.91 C ATOM 6349 O4* U B 339 -917.436 -29.238 113.631 1.00852.91 O ATOM 6350 C3* U B 339 -918.096 -31.481 113.915 1.00852.91 C ATOM 6351 O3* U B 339 -918.162 -32.541 114.859 1.00852.91 O ATOM 6352 C2* U B 339 -919.353 -30.622 113.950 1.00852.91 C ATOM 6353 O2* U B 339 -919.824 -30.431 115.266 1.00852.91 O ATOM 6354 C1* U B 339 -918.838 -29.285 113.418 1.00852.91 C ATOM 6355 N1 U B 339 -919.113 -29.061 111.986 1.00852.91 N ATOM 6356 C2 U B 339 -920.179 -28.239 111.657 1.00852.91 C ATOM 6357 O2 U B 339 -920.901 -27.718 112.492 1.00852.91 O ATOM 6358 N3 U B 339 -920.368 -28.045 110.314 1.00852.91 N ATOM 6359 C4 U B 339 -919.622 -28.578 109.286 1.00852.91 C ATOM 6360 O4 U B 339 -919.878 -28.257 108.123 1.00852.91 O ATOM 6361 C5 U B 339 -918.549 -29.431 109.703 1.00852.91 C ATOM 6362 C6 U B 339 -918.338 -29.636 111.009 1.00852.91 C ATOM 6363 P G B 340 -918.687 -33.981 114.388 1.00852.91 P ATOM 6364 O1P G B 340 -920.103 -33.826 113.972 1.00852.91 O ATOM 6365 O2P G B 340 -918.338 -34.975 115.427 1.00852.91 O ATOM 6366 O5* G B 340 -917.814 -34.297 113.093 1.00852.91 O ATOM 6367 C5* G B 340 -918.442 -34.624 111.859 1.00852.91 C ATOM 6368 C4* G B 340 -918.257 -36.092 111.566 1.00852.91 C ATOM 6369 O4* G B 340 -918.873 -36.871 112.613 1.00852.91 O ATOM 6370 C3* G B 340 -918.825 -36.611 110.249 1.00852.91 C ATOM 6371 O3* G B 340 -917.864 -36.463 109.205 1.00852.91 O ATOM 6372 C2* G B 340 -919.031 -38.097 110.562 1.00852.91 C ATOM 6373 O2* G B 340 -917.873 -38.867 110.316 1.00852.91 O ATOM 6374 C1* G B 340 -919.312 -38.091 112.068 1.00852.91 C ATOM 6375 N9 G B 340 -920.684 -38.348 112.501 1.00852.91 N ATOM 6376 C8 G B 340 -921.766 -37.504 112.420 1.00852.91 C ATOM 6377 N7 G B 340 -922.844 -38.004 112.958 1.00852.91 N ATOM 6378 C5 G B 340 -922.454 -39.258 113.410 1.00852.91 C ATOM 6379 C6 G B 340 -923.193 -40.263 114.089 1.00852.91 C ATOM 6380 O6 G B 340 -924.374 -40.243 114.448 1.00852.91 O ATOM 6381 N1 G B 340 -922.406 -41.383 114.350 1.00852.91 N ATOM 6382 C2 G B 340 -921.086 -41.516 114.008 1.00852.91 C ATOM 6383 N2 G B 340 -920.502 -42.677 114.344 1.00852.91 N ATOM 6384 N3 G B 340 -920.387 -40.586 113.385 1.00852.91 N ATOM 6385 C4 G B 340 -921.127 -39.491 113.120 1.00852.91 C ATOM 6386 P A B 341 -918.237 -35.644 107.872 1.00852.91 P ATOM 6387 O1P A B 341 -916.981 -35.469 107.098 1.00852.91 O ATOM 6388 O2P A B 341 -919.040 -34.452 108.251 1.00852.91 O ATOM 6389 O5* A B 341 -919.179 -36.644 107.069 1.00852.91 O ATOM 6390 C5* A B 341 -918.675 -37.460 106.013 1.00852.91 C ATOM 6391 C4* A B 341 -919.678 -37.514 104.887 1.00852.91 C ATOM 6392 O4* A B 341 -920.747 -38.424 105.257 1.00852.91 O ATOM 6393 C3* A B 341 -920.463 -36.256 104.571 1.00852.91 C ATOM 6394 O3* A B 341 -919.691 -35.336 103.809 1.00852.91 O ATOM 6395 C2* A B 341 -921.701 -36.765 103.842 1.00852.91 C ATOM 6396 O2* A B 341 -921.473 -36.942 102.459 1.00852.91 O ATOM 6397 C1* A B 341 -921.921 -38.124 104.519 1.00852.91 C ATOM 6398 N9 A B 341 -923.036 -38.122 105.466 1.00852.91 N ATOM 6399 C8 A B 341 -923.255 -37.179 106.437 1.00852.91 C ATOM 6400 N7 A B 341 -924.303 -37.411 107.182 1.00852.91 N ATOM 6401 C5 A B 341 -924.823 -38.588 106.667 1.00852.91 C ATOM 6402 C6 A B 341 -925.940 -39.362 107.038 1.00852.91 C ATOM 6403 N6 A B 341 -926.746 -39.062 108.048 1.00852.91 N ATOM 6404 N1 A B 341 -926.202 -40.471 106.331 1.00852.91 N ATOM 6405 C2 A B 341 -925.372 -40.787 105.314 1.00852.91 C ATOM 6406 N3 A B 341 -924.281 -40.146 104.871 1.00852.91 N ATOM 6407 C4 A B 341 -924.061 -39.037 105.601 1.00852.91 C ATOM 6408 P G B 342 -919.459 -33.846 104.367 1.00852.91 P ATOM 6409 O1P G B 342 -918.153 -33.833 105.075 1.00852.91 O ATOM 6410 O2P G B 342 -920.689 -33.439 105.088 1.00852.91 O ATOM 6411 O5* G B 342 -919.317 -32.959 103.049 1.00852.91 O ATOM 6412 C5* G B 342 -918.185 -32.110 102.873 1.00852.91 C ATOM 6413 C4* G B 342 -918.306 -31.318 101.590 1.00852.91 C ATOM 6414 O4* G B 342 -918.399 -32.214 100.459 1.00852.91 O ATOM 6415 C3* G B 342 -919.496 -30.370 101.475 1.00852.91 C ATOM 6416 O3* G B 342 -919.205 -29.134 102.135 1.00852.91 O ATOM 6417 C2* G B 342 -919.664 -30.241 99.958 1.00852.91 C ATOM 6418 O2* G B 342 -918.838 -29.246 99.393 1.00852.91 O ATOM 6419 C1* G B 342 -919.184 -31.610 99.454 1.00852.91 C ATOM 6420 N9 G B 342 -920.196 -32.564 99.003 1.00852.91 N ATOM 6421 C8 G B 342 -920.913 -33.449 99.772 1.00852.91 C ATOM 6422 N7 G B 342 -921.714 -34.205 99.071 1.00852.91 N ATOM 6423 C5 G B 342 -921.518 -33.789 97.759 1.00852.91 C ATOM 6424 C6 G B 342 -922.104 -34.245 96.552 1.00852.91 C ATOM 6425 O6 G B 342 -922.939 -35.146 96.385 1.00852.91 O ATOM 6426 N1 G B 342 -921.625 -33.541 95.452 1.00852.91 N ATOM 6427 C2 G B 342 -920.698 -32.530 95.505 1.00852.91 C ATOM 6428 N2 G B 342 -920.364 -31.970 94.335 1.00852.91 N ATOM 6429 N3 G B 342 -920.136 -32.100 96.623 1.00852.91 N ATOM 6430 C4 G B 342 -920.592 -32.770 97.706 1.00852.91 C ATOM 6431 P A B 343 -920.199 -27.869 102.005 1.00852.91 P ATOM 6432 O1P A B 343 -919.917 -27.211 100.704 1.00852.91 O ATOM 6433 O2P A B 343 -920.082 -27.091 103.261 1.00852.91 O ATOM 6434 O5* A B 343 -921.670 -28.479 101.944 1.00852.91 O ATOM 6435 C5* A B 343 -922.627 -27.983 101.006 1.00852.91 C ATOM 6436 C4* A B 343 -923.655 -27.114 101.701 1.00852.91 C ATOM 6437 O4* A B 343 -924.137 -27.779 102.892 1.00852.91 O ATOM 6438 C3* A B 343 -923.137 -25.755 102.170 1.00852.91 C ATOM 6439 O3* A B 343 -923.263 -24.782 101.138 1.00852.91 O ATOM 6440 C2* A B 343 -924.062 -25.427 103.343 1.00852.91 C ATOM 6441 O2* A B 343 -925.257 -24.801 102.928 1.00852.91 O ATOM 6442 C1* A B 343 -924.394 -26.817 103.896 1.00852.91 C ATOM 6443 N9 A B 343 -923.708 -27.221 105.122 1.00852.91 N ATOM 6444 C8 A B 343 -922.358 -27.335 105.363 1.00852.91 C ATOM 6445 N7 A B 343 -922.077 -27.774 106.568 1.00852.91 N ATOM 6446 C5 A B 343 -923.321 -27.952 107.159 1.00852.91 C ATOM 6447 C6 A B 343 -923.714 -28.414 108.433 1.00852.91 C ATOM 6448 N6 A B 343 -922.857 -28.815 109.370 1.00852.91 N ATOM 6449 N1 A B 343 -925.037 -28.460 108.702 1.00852.91 N ATOM 6450 C2 A B 343 -925.897 -28.078 107.754 1.00852.91 C ATOM 6451 N3 A B 343 -925.654 -27.639 106.521 1.00852.91 N ATOM 6452 C4 A B 343 -924.333 -27.603 106.284 1.00852.91 C ATOM 6453 P G B 344 -922.413 -23.419 101.206 1.00852.91 P ATOM 6454 O1P G B 344 -921.917 -23.152 99.830 1.00852.91 O ATOM 6455 O2P G B 344 -921.444 -23.524 102.328 1.00852.91 O ATOM 6456 O5* G B 344 -923.482 -22.296 101.566 1.00852.91 O ATOM 6457 C5* G B 344 -923.058 -21.030 102.051 1.00852.91 C ATOM 6458 C4* G B 344 -924.249 -20.172 102.431 1.00852.91 C ATOM 6459 O4* G B 344 -924.937 -19.716 101.238 1.00852.91 O ATOM 6460 C3* G B 344 -925.393 -20.789 103.225 1.00852.91 C ATOM 6461 O3* G B 344 -925.057 -20.856 104.603 1.00852.91 O ATOM 6462 C2* G B 344 -926.575 -19.862 102.969 1.00852.91 C ATOM 6463 O2* G B 344 -926.636 -18.798 103.898 1.00852.91 O ATOM 6464 C1* G B 344 -926.248 -19.303 101.581 1.00852.91 C ATOM 6465 N9 G B 344 -927.175 -19.759 100.551 1.00852.91 N ATOM 6466 C8 G B 344 -926.893 -20.530 99.449 1.00852.91 C ATOM 6467 N7 G B 344 -927.943 -20.765 98.709 1.00852.91 N ATOM 6468 C5 G B 344 -928.979 -20.109 99.357 1.00852.91 C ATOM 6469 C6 G B 344 -930.357 -20.004 99.028 1.00852.91 C ATOM 6470 O6 G B 344 -930.966 -20.486 98.065 1.00852.91 O ATOM 6471 N1 G B 344 -931.053 -19.245 99.965 1.00852.91 N ATOM 6472 C2 G B 344 -930.497 -18.663 101.073 1.00852.91 C ATOM 6473 N2 G B 344 -931.337 -17.969 101.857 1.00852.91 N ATOM 6474 N3 G B 344 -929.216 -18.751 101.394 1.00852.91 N ATOM 6475 C4 G B 344 -928.522 -19.483 100.498 1.00852.91 C ATOM 6476 P U B 345 -925.893 -21.825 105.579 1.00852.91 P ATOM 6477 O1P U B 345 -925.196 -21.844 106.888 1.00852.91 O ATOM 6478 O2P U B 345 -926.139 -23.099 104.859 1.00852.91 O ATOM 6479 O5* U B 345 -927.291 -21.081 105.768 1.00852.91 O ATOM 6480 C5* U B 345 -927.396 -19.937 106.611 1.00852.91 C ATOM 6481 C4* U B 345 -928.841 -19.693 106.997 1.00852.91 C ATOM 6482 O4* U B 345 -929.599 -19.293 105.828 1.00852.91 O ATOM 6483 C3* U B 345 -929.577 -20.901 107.526 1.00852.91 C ATOM 6484 O3* U B 345 -929.349 -21.070 108.918 1.00852.91 O ATOM 6485 C2* U B 345 -931.035 -20.573 107.241 1.00852.91 C ATOM 6486 O2* U B 345 -931.612 -19.760 108.247 1.00852.91 O ATOM 6487 C1* U B 345 -930.933 -19.766 105.943 1.00852.91 C ATOM 6488 N1 U B 345 -931.257 -20.550 104.744 1.00852.91 N ATOM 6489 C2 U B 345 -932.206 -20.043 103.875 1.00852.91 C ATOM 6490 O2 U B 345 -932.782 -18.986 104.065 1.00852.91 O ATOM 6491 N3 U B 345 -932.461 -20.819 102.771 1.00852.91 N ATOM 6492 C4 U B 345 -931.873 -22.023 102.455 1.00852.91 C ATOM 6493 O4 U B 345 -932.194 -22.594 101.408 1.00852.91 O ATOM 6494 C5 U B 345 -930.905 -22.485 103.403 1.00852.91 C ATOM 6495 C6 U B 345 -930.635 -21.755 104.486 1.00852.91 C ATOM 6496 P C B 346 -929.041 -22.537 109.502 1.00852.91 P ATOM 6497 O1P C B 346 -928.557 -23.380 108.376 1.00852.91 O ATOM 6498 O2P C B 346 -930.217 -22.978 110.292 1.00852.91 O ATOM 6499 O5* C B 346 -927.827 -22.289 110.498 1.00852.91 O ATOM 6500 C5* C B 346 -928.049 -22.022 111.875 1.00852.91 C ATOM 6501 C4* C B 346 -926.729 -21.862 112.587 1.00852.91 C ATOM 6502 O4* C B 346 -926.000 -23.116 112.516 1.00852.91 O ATOM 6503 C3* C B 346 -925.750 -20.849 112.024 1.00852.91 C ATOM 6504 O3* C B 346 -926.054 -19.533 112.474 1.00852.91 O ATOM 6505 C2* C B 346 -924.408 -21.347 112.546 1.00852.91 C ATOM 6506 O2* C B 346 -924.167 -20.931 113.875 1.00852.91 O ATOM 6507 C1* C B 346 -924.603 -22.864 112.520 1.00852.91 C ATOM 6508 N1 C B 346 -924.016 -23.508 111.327 1.00852.91 N ATOM 6509 C2 C B 346 -922.666 -23.904 111.353 1.00852.91 C ATOM 6510 O2 C B 346 -921.991 -23.695 112.366 1.00852.91 O ATOM 6511 N3 C B 346 -922.126 -24.501 110.267 1.00852.91 N ATOM 6512 C4 C B 346 -922.873 -24.706 109.180 1.00852.91 C ATOM 6513 N4 C B 346 -922.288 -25.305 108.135 1.00852.91 N ATOM 6514 C5 C B 346 -924.245 -24.308 109.120 1.00852.91 C ATOM 6515 C6 C B 346 -924.770 -23.720 110.206 1.00852.91 C ATOM 6516 P C B 347 -925.522 -18.264 111.642 1.00852.91 P ATOM 6517 O1P C B 347 -926.047 -17.041 112.295 1.00852.91 O ATOM 6518 O2P C B 347 -925.787 -18.501 110.202 1.00852.91 O ATOM 6519 O5* C B 347 -923.944 -18.306 111.867 1.00852.91 O ATOM 6520 C5* C B 347 -923.393 -18.119 113.168 1.00852.91 C ATOM 6521 C4* C B 347 -921.897 -18.303 113.123 1.00852.91 C ATOM 6522 O4* C B 347 -921.573 -19.682 112.814 1.00852.91 O ATOM 6523 C3* C B 347 -921.145 -17.518 112.063 1.00852.91 C ATOM 6524 O3* C B 347 -920.937 -16.171 112.464 1.00852.91 O ATOM 6525 C2* C B 347 -919.850 -18.305 111.915 1.00852.91 C ATOM 6526 O2* C B 347 -918.886 -17.967 112.895 1.00852.91 O ATOM 6527 C1* C B 347 -920.326 -19.742 112.147 1.00852.91 C ATOM 6528 N1 C B 347 -920.502 -20.509 110.901 1.00852.91 N ATOM 6529 C2 C B 347 -919.404 -21.181 110.361 1.00852.91 C ATOM 6530 O2 C B 347 -918.310 -21.105 110.943 1.00852.91 O ATOM 6531 N3 C B 347 -919.558 -21.889 109.220 1.00852.91 N ATOM 6532 C4 C B 347 -920.751 -21.943 108.624 1.00852.91 C ATOM 6533 N4 C B 347 -920.856 -22.658 107.499 1.00852.91 N ATOM 6534 C5 C B 347 -921.886 -21.264 109.151 1.00852.91 C ATOM 6535 C6 C B 347 -921.719 -20.565 110.282 1.00852.91 C ATOM 6536 P U B 348 -920.500 -15.077 111.371 1.00852.91 P ATOM 6537 O1P U B 348 -920.907 -13.746 111.884 1.00852.91 O ATOM 6538 O2P U B 348 -920.973 -15.529 110.039 1.00852.91 O ATOM 6539 O5* U B 348 -918.910 -15.158 111.398 1.00852.91 O ATOM 6540 C5* U B 348 -918.216 -15.072 112.633 1.00852.91 C ATOM 6541 C4* U B 348 -916.756 -15.400 112.446 1.00852.91 C ATOM 6542 O4* U B 348 -916.586 -16.785 112.050 1.00852.91 O ATOM 6543 C3* U B 348 -916.030 -14.603 111.380 1.00852.91 C ATOM 6544 O3* U B 348 -915.632 -13.339 111.896 1.00852.91 O ATOM 6545 C2* U B 348 -914.835 -15.497 111.059 1.00852.91 C ATOM 6546 O2* U B 348 -913.754 -15.317 111.952 1.00852.91 O ATOM 6547 C1* U B 348 -915.415 -16.898 111.261 1.00852.91 C ATOM 6548 N1 U B 348 -915.733 -17.592 110.002 1.00852.91 N ATOM 6549 C2 U B 348 -914.772 -18.451 109.509 1.00852.91 C ATOM 6550 O2 U B 348 -913.715 -18.657 110.083 1.00852.91 O ATOM 6551 N3 U B 348 -915.089 -19.062 108.321 1.00852.91 N ATOM 6552 C4 U B 348 -916.244 -18.906 107.592 1.00852.91 C ATOM 6553 O4 U B 348 -916.370 -19.519 106.530 1.00852.91 O ATOM 6554 C5 U B 348 -917.201 -18.005 108.171 1.00852.91 C ATOM 6555 C6 U B 348 -916.917 -17.392 109.330 1.00852.91 C ATOM 6556 P G B 349 -915.771 -12.032 110.973 1.00852.91 P ATOM 6557 O1P G B 349 -915.272 -10.874 111.757 1.00852.91 O ATOM 6558 O2P G B 349 -917.149 -12.006 110.416 1.00852.91 O ATOM 6559 O5* G B 349 -914.755 -12.318 109.785 1.00852.91 O ATOM 6560 C5* G B 349 -914.637 -11.428 108.682 1.00852.91 C ATOM 6561 C4* G B 349 -913.834 -12.079 107.585 1.00852.91 C ATOM 6562 O4* G B 349 -914.402 -13.369 107.255 1.00852.91 O ATOM 6563 C3* G B 349 -913.775 -11.317 106.271 1.00852.91 C ATOM 6564 O3* G B 349 -912.733 -10.347 106.297 1.00852.91 O ATOM 6565 C2* G B 349 -913.522 -12.420 105.249 1.00852.91 C ATOM 6566 O2* G B 349 -912.154 -12.754 105.138 1.00852.91 O ATOM 6567 C1* G B 349 -914.279 -13.601 105.863 1.00852.91 C ATOM 6568 N9 G B 349 -915.616 -13.802 105.306 1.00852.91 N ATOM 6569 C8 G B 349 -916.755 -13.097 105.606 1.00852.91 C ATOM 6570 N7 G B 349 -917.806 -13.516 104.950 1.00852.91 N ATOM 6571 C5 G B 349 -917.325 -14.557 104.168 1.00852.91 C ATOM 6572 C6 G B 349 -917.999 -15.400 103.242 1.00852.91 C ATOM 6573 O6 G B 349 -919.193 -15.394 102.921 1.00852.91 O ATOM 6574 N1 G B 349 -917.131 -16.323 102.667 1.00852.91 N ATOM 6575 C2 G B 349 -915.791 -16.428 102.943 1.00852.91 C ATOM 6576 N2 G B 349 -915.122 -17.385 102.281 1.00852.91 N ATOM 6577 N3 G B 349 -915.152 -15.651 103.803 1.00852.91 N ATOM 6578 C4 G B 349 -915.976 -14.746 104.373 1.00852.91 C ATOM 6579 P U B 350 -913.021 -8.852 105.784 1.00852.91 P ATOM 6580 O1P U B 350 -911.703 -8.221 105.522 1.00852.91 O ATOM 6581 O2P U B 350 -913.969 -8.207 106.728 1.00852.91 O ATOM 6582 O5* U B 350 -913.756 -9.063 104.388 1.00852.91 O ATOM 6583 C5* U B 350 -913.010 -9.406 103.222 1.00852.91 C ATOM 6584 C4* U B 350 -913.937 -9.552 102.038 1.00852.91 C ATOM 6585 O4* U B 350 -914.853 -10.648 102.276 1.00852.91 O ATOM 6586 C3* U B 350 -914.847 -8.376 101.716 1.00852.91 C ATOM 6587 O3* U B 350 -914.184 -7.373 100.950 1.00852.91 O ATOM 6588 C2* U B 350 -915.977 -9.030 100.927 1.00852.91 C ATOM 6589 O2* U B 350 -915.667 -9.170 99.554 1.00852.91 O ATOM 6590 C1* U B 350 -916.058 -10.420 101.566 1.00852.91 C ATOM 6591 N1 U B 350 -917.189 -10.593 102.488 1.00852.91 N ATOM 6592 C2 U B 350 -917.960 -11.732 102.344 1.00852.91 C ATOM 6593 O2 U B 350 -917.728 -12.586 101.506 1.00852.91 O ATOM 6594 N3 U B 350 -919.011 -11.838 103.221 1.00852.91 N ATOM 6595 C4 U B 350 -919.353 -10.944 104.211 1.00852.91 C ATOM 6596 O4 U B 350 -920.335 -11.178 104.922 1.00852.91 O ATOM 6597 C5 U B 350 -918.504 -9.800 104.307 1.00852.91 C ATOM 6598 C6 U B 350 -917.477 -9.665 103.457 1.00852.91 C ATOM 6599 P A B 351 -914.234 -5.837 101.426 1.00852.91 P ATOM 6600 O1P A B 351 -913.241 -5.092 100.609 1.00852.91 O ATOM 6601 O2P A B 351 -914.140 -5.802 102.906 1.00852.91 O ATOM 6602 O5* A B 351 -915.689 -5.340 101.005 1.00852.91 O ATOM 6603 C5* A B 351 -915.937 -4.809 99.706 1.00852.91 C ATOM 6604 C4* A B 351 -917.392 -4.431 99.573 1.00852.91 C ATOM 6605 O4* A B 351 -918.211 -5.584 99.899 1.00852.91 O ATOM 6606 C3* A B 351 -917.915 -3.337 100.484 1.00852.91 C ATOM 6607 O3* A B 351 -917.629 -2.051 99.940 1.00852.91 O ATOM 6608 C2* A B 351 -919.409 -3.624 100.532 1.00852.91 C ATOM 6609 O2* A B 351 -920.098 -3.095 99.415 1.00852.91 O ATOM 6610 C1* A B 351 -919.431 -5.152 100.472 1.00852.91 C ATOM 6611 N9 A B 351 -919.553 -5.773 101.794 1.00852.91 N ATOM 6612 C8 A B 351 -918.559 -6.322 102.573 1.00852.91 C ATOM 6613 N7 A B 351 -918.985 -6.790 103.725 1.00852.91 N ATOM 6614 C5 A B 351 -920.351 -6.541 103.699 1.00852.91 C ATOM 6615 C6 A B 351 -921.373 -6.796 104.625 1.00852.91 C ATOM 6616 N6 A B 351 -921.164 -7.392 105.806 1.00852.91 N ATOM 6617 N1 A B 351 -922.628 -6.418 104.296 1.00852.91 N ATOM 6618 C2 A B 351 -922.830 -5.825 103.110 1.00852.91 C ATOM 6619 N3 A B 351 -921.951 -5.530 102.156 1.00852.91 N ATOM 6620 C4 A B 351 -920.715 -5.918 102.515 1.00852.91 C ATOM 6621 P G B 352 -917.469 -0.789 100.927 1.00852.91 P ATOM 6622 O1P G B 352 -917.677 0.437 100.115 1.00852.91 O ATOM 6623 O2P G B 352 -916.211 -0.954 101.698 1.00852.91 O ATOM 6624 O5* G B 352 -918.693 -0.923 101.937 1.00852.91 O ATOM 6625 C5* G B 352 -919.982 -0.425 101.597 1.00852.91 C ATOM 6626 C4* G B 352 -920.759 -0.085 102.848 1.00852.91 C ATOM 6627 O4* G B 352 -920.952 -1.283 103.640 1.00852.91 O ATOM 6628 C3* G B 352 -920.071 0.888 103.787 1.00852.91 C ATOM 6629 O3* G B 352 -920.306 2.239 103.406 1.00852.91 O ATOM 6630 C2* G B 352 -920.688 0.552 105.140 1.00852.91 C ATOM 6631 O2* G B 352 -921.930 1.193 105.349 1.00852.91 O ATOM 6632 C1* G B 352 -920.898 -0.956 105.019 1.00852.91 C ATOM 6633 N9 G B 352 -919.818 -1.728 105.627 1.00852.91 N ATOM 6634 C8 G B 352 -918.564 -1.951 105.111 1.00852.91 C ATOM 6635 N7 G B 352 -917.812 -2.675 105.895 1.00852.91 N ATOM 6636 C5 G B 352 -918.618 -2.947 106.992 1.00852.91 C ATOM 6637 C6 G B 352 -918.348 -3.693 108.170 1.00852.91 C ATOM 6638 O6 G B 352 -917.307 -4.280 108.495 1.00852.91 O ATOM 6639 N1 G B 352 -919.449 -3.711 109.022 1.00852.91 N ATOM 6640 C2 G B 352 -920.651 -3.095 108.773 1.00852.91 C ATOM 6641 N2 G B 352 -921.591 -3.223 109.721 1.00852.91 N ATOM 6642 N3 G B 352 -920.913 -2.403 107.682 1.00852.91 N ATOM 6643 C4 G B 352 -919.859 -2.369 106.840 1.00852.91 C ATOM 6644 P G B 353 -919.072 3.268 103.317 1.00852.91 P ATOM 6645 O1P G B 353 -919.398 4.420 104.196 1.00852.91 O ATOM 6646 O2P G B 353 -918.758 3.503 101.884 1.00852.91 O ATOM 6647 O5* G B 353 -917.859 2.474 103.973 1.00852.91 O ATOM 6648 C5* G B 353 -917.105 3.051 105.035 1.00852.91 C ATOM 6649 C4* G B 353 -917.834 2.914 106.348 1.00852.91 C ATOM 6650 O4* G B 353 -918.160 1.520 106.583 1.00852.91 O ATOM 6651 C3* G B 353 -917.088 3.337 107.598 1.00852.91 C ATOM 6652 O3* G B 353 -917.149 4.741 107.807 1.00852.91 O ATOM 6653 C2* G B 353 -917.814 2.568 108.694 1.00852.91 C ATOM 6654 O2* G B 353 -918.998 3.212 109.119 1.00852.91 O ATOM 6655 C1* G B 353 -918.178 1.269 107.980 1.00852.91 C ATOM 6656 N9 G B 353 -917.231 0.200 108.282 1.00852.91 N ATOM 6657 C8 G B 353 -916.323 -0.387 107.435 1.00852.91 C ATOM 6658 N7 G B 353 -915.600 -1.307 108.018 1.00852.91 N ATOM 6659 C5 G B 353 -916.063 -1.330 109.326 1.00852.91 C ATOM 6660 C6 G B 353 -915.664 -2.125 110.434 1.00852.91 C ATOM 6661 O6 G B 353 -914.788 -2.999 110.485 1.00852.91 O ATOM 6662 N1 G B 353 -916.407 -1.822 111.571 1.00852.91 N ATOM 6663 C2 G B 353 -917.402 -0.878 111.638 1.00852.91 C ATOM 6664 N2 G B 353 -918.002 -0.730 112.823 1.00852.91 N ATOM 6665 N3 G B 353 -917.778 -0.131 110.617 1.00852.91 N ATOM 6666 C4 G B 353 -917.075 -0.408 109.504 1.00852.91 C ATOM 6667 P C B 354 -916.059 5.452 108.751 1.00852.91 P ATOM 6668 O1P C B 354 -916.366 6.906 108.778 1.00852.91 O ATOM 6669 O2P C B 354 -914.712 4.994 108.332 1.00852.91 O ATOM 6670 O5* C B 354 -916.359 4.852 110.198 1.00852.91 O ATOM 6671 C5* C B 354 -915.475 5.107 111.285 1.00852.91 C ATOM 6672 C4* C B 354 -916.011 4.477 112.549 1.00852.91 C ATOM 6673 O4* C B 354 -916.256 3.064 112.330 1.00852.91 O ATOM 6674 C3* C B 354 -915.068 4.531 113.734 1.00852.91 C ATOM 6675 O3* C B 354 -915.211 5.760 114.435 1.00852.91 O ATOM 6676 C2* C B 354 -915.499 3.336 114.575 1.00852.91 C ATOM 6677 O2* C B 354 -916.606 3.622 115.404 1.00852.91 O ATOM 6678 C1* C B 354 -915.918 2.333 113.497 1.00852.91 C ATOM 6679 N1 C B 354 -914.845 1.382 113.157 1.00852.91 N ATOM 6680 C2 C B 354 -914.519 0.376 114.074 1.00852.91 C ATOM 6681 O2 C B 354 -915.139 0.317 115.146 1.00852.91 O ATOM 6682 N3 C B 354 -913.538 -0.501 113.772 1.00852.91 N ATOM 6683 C4 C B 354 -912.892 -0.404 112.607 1.00852.91 C ATOM 6684 N4 C B 354 -911.927 -1.296 112.355 1.00852.91 N ATOM 6685 C5 C B 354 -913.202 0.609 111.655 1.00852.91 C ATOM 6686 C6 C B 354 -914.177 1.473 111.968 1.00852.91 C ATOM 6687 P G B 355 -913.923 6.444 115.105 1.00852.91 P ATOM 6688 O1P G B 355 -914.402 7.570 115.950 1.00852.91 O ATOM 6689 O2P G B 355 -912.924 6.702 114.035 1.00852.91 O ATOM 6690 O5* G B 355 -913.350 5.312 116.065 1.00852.91 O ATOM 6691 C5* G B 355 -913.889 5.125 117.368 1.00852.91 C ATOM 6692 C4* G B 355 -912.926 4.343 118.233 1.00852.91 C ATOM 6693 O4* G B 355 -912.956 2.936 117.878 1.00852.91 O ATOM 6694 C3* G B 355 -911.453 4.695 118.161 1.00852.91 C ATOM 6695 O3* G B 355 -911.124 5.841 118.929 1.00852.91 O ATOM 6696 C2* G B 355 -910.778 3.441 118.707 1.00852.91 C ATOM 6697 O2* G B 355 -910.739 3.416 120.120 1.00852.91 O ATOM 6698 C1* G B 355 -911.708 2.340 118.193 1.00852.91 C ATOM 6699 N9 G B 355 -911.168 1.709 116.996 1.00852.91 N ATOM 6700 C8 G B 355 -911.753 1.640 115.752 1.00852.91 C ATOM 6701 N7 G B 355 -911.006 1.035 114.868 1.00852.91 N ATOM 6702 C5 G B 355 -909.863 0.677 115.572 1.00852.91 C ATOM 6703 C6 G B 355 -908.692 -0.003 115.142 1.00852.91 C ATOM 6704 O6 G B 355 -908.422 -0.434 114.015 1.00852.91 O ATOM 6705 N1 G B 355 -907.784 -0.160 116.182 1.00852.91 N ATOM 6706 C2 G B 355 -907.969 0.279 117.471 1.00852.91 C ATOM 6707 N2 G B 355 -906.974 0.029 118.333 1.00852.91 N ATOM 6708 N3 G B 355 -909.051 0.918 117.880 1.00852.91 N ATOM 6709 C4 G B 355 -909.951 1.080 116.888 1.00852.91 C ATOM 6710 P A B 356 -909.956 6.820 118.421 1.00852.91 P ATOM 6711 O1P A B 356 -910.589 7.898 117.619 1.00852.91 O ATOM 6712 O2P A B 356 -908.892 5.982 117.813 1.00852.91 O ATOM 6713 O5* A B 356 -909.383 7.463 119.757 1.00852.91 O ATOM 6714 C5* A B 356 -910.223 8.186 120.647 1.00852.91 C ATOM 6715 C4* A B 356 -910.012 7.695 122.053 1.00852.91 C ATOM 6716 O4* A B 356 -910.281 6.270 122.107 1.00852.91 O ATOM 6717 C3* A B 356 -908.594 7.820 122.560 1.00852.91 C ATOM 6718 O3* A B 356 -908.342 9.124 123.057 1.00852.91 O ATOM 6719 C2* A B 356 -908.515 6.734 123.625 1.00852.91 C ATOM 6720 O2* A B 356 -909.061 7.144 124.862 1.00852.91 O ATOM 6721 C1* A B 356 -909.379 5.639 122.999 1.00852.91 C ATOM 6722 N9 A B 356 -908.569 4.712 122.214 1.00852.91 N ATOM 6723 C8 A B 356 -907.994 4.948 120.989 1.00852.91 C ATOM 6724 N7 A B 356 -907.290 3.946 120.532 1.00852.91 N ATOM 6725 C5 A B 356 -907.411 2.976 121.516 1.00852.91 C ATOM 6726 C6 A B 356 -906.891 1.677 121.632 1.00852.91 C ATOM 6727 N6 A B 356 -906.112 1.105 120.709 1.00852.91 N ATOM 6728 N1 A B 356 -907.206 0.970 122.739 1.00852.91 N ATOM 6729 C2 A B 356 -907.986 1.543 123.665 1.00852.91 C ATOM 6730 N3 A B 356 -908.530 2.758 123.672 1.00852.91 N ATOM 6731 C4 A B 356 -908.201 3.431 122.556 1.00852.91 C ATOM 6732 P A B 357 -906.850 9.713 122.993 1.00852.91 P ATOM 6733 O1P A B 357 -906.915 11.150 123.364 1.00852.91 O ATOM 6734 O2P A B 357 -906.261 9.320 121.688 1.00852.91 O ATOM 6735 O5* A B 357 -906.079 8.933 124.149 1.00852.91 O ATOM 6736 C5* A B 357 -906.224 9.322 125.509 1.00852.91 C ATOM 6737 C4* A B 357 -905.345 8.472 126.397 1.00852.91 C ATOM 6738 O4* A B 357 -905.845 7.112 126.430 1.00852.91 O ATOM 6739 C3* A B 357 -903.889 8.329 126.000 1.00852.91 C ATOM 6740 O3* A B 357 -903.131 9.451 126.449 1.00852.91 O ATOM 6741 C2* A B 357 -903.475 7.031 126.685 1.00852.91 C ATOM 6742 O2* A B 357 -903.104 7.225 128.034 1.00852.91 O ATOM 6743 C1* A B 357 -904.767 6.213 126.625 1.00852.91 C ATOM 6744 N9 A B 357 -904.795 5.212 125.556 1.00852.91 N ATOM 6745 C8 A B 357 -905.827 4.936 124.693 1.00852.91 C ATOM 6746 N7 A B 357 -905.562 3.967 123.846 1.00852.91 N ATOM 6747 C5 A B 357 -904.271 3.582 124.171 1.00852.91 C ATOM 6748 C6 A B 357 -903.417 2.598 123.642 1.00852.91 C ATOM 6749 N6 A B 357 -903.754 1.787 122.635 1.00852.91 N ATOM 6750 N1 A B 357 -902.190 2.471 124.191 1.00852.91 N ATOM 6751 C2 A B 357 -901.856 3.280 125.203 1.00852.91 C ATOM 6752 N3 A B 357 -902.569 4.243 125.788 1.00852.91 N ATOM 6753 C4 A B 357 -903.782 4.345 125.218 1.00852.91 C ATOM 6754 P C B 358 -901.752 9.835 125.713 1.00852.91 P ATOM 6755 O1P C B 358 -900.977 10.699 126.639 1.00852.91 O ATOM 6756 O2P C B 358 -902.083 10.329 124.351 1.00852.91 O ATOM 6757 O5* C B 358 -900.974 8.452 125.561 1.00852.91 O ATOM 6758 C5* C B 358 -899.875 8.129 126.405 1.00852.91 C ATOM 6759 C4* C B 358 -898.810 7.408 125.618 1.00852.91 C ATOM 6760 O4* C B 358 -899.325 6.114 125.208 1.00852.91 O ATOM 6761 C3* C B 358 -898.419 8.077 124.315 1.00852.91 C ATOM 6762 O3* C B 358 -897.440 9.087 124.497 1.00852.91 O ATOM 6763 C2* C B 358 -897.898 6.916 123.480 1.00852.91 C ATOM 6764 O2* C B 358 -896.560 6.579 123.795 1.00852.91 O ATOM 6765 C1* C B 358 -898.823 5.782 123.924 1.00852.91 C ATOM 6766 N1 C B 358 -899.976 5.624 123.019 1.00852.91 N ATOM 6767 C2 C B 358 -899.807 4.924 121.824 1.00852.91 C ATOM 6768 O2 C B 358 -898.694 4.446 121.561 1.00852.91 O ATOM 6769 N3 C B 358 -900.860 4.788 120.987 1.00852.91 N ATOM 6770 C4 C B 358 -902.043 5.318 121.306 1.00852.91 C ATOM 6771 N4 C B 358 -903.055 5.161 120.452 1.00852.91 N ATOM 6772 C5 C B 358 -902.240 6.034 122.523 1.00852.91 C ATOM 6773 C6 C B 358 -901.193 6.162 123.344 1.00852.91 C ATOM 6774 P G B 359 -897.312 10.268 123.417 1.00852.91 P ATOM 6775 O1P G B 359 -896.346 11.263 123.956 1.00852.91 O ATOM 6776 O2P G B 359 -898.674 10.703 123.030 1.00852.91 O ATOM 6777 O5* G B 359 -896.640 9.548 122.169 1.00852.91 O ATOM 6778 C5* G B 359 -895.365 8.929 122.281 1.00852.91 C ATOM 6779 C4* G B 359 -895.155 7.963 121.143 1.00852.91 C ATOM 6780 O4* G B 359 -896.308 7.100 120.986 1.00852.91 O ATOM 6781 C3* G B 359 -894.962 8.533 119.744 1.00852.91 C ATOM 6782 O3* G B 359 -893.633 9.016 119.579 1.00852.91 O ATOM 6783 C2* G B 359 -895.289 7.346 118.841 1.00852.91 C ATOM 6784 O2* G B 359 -894.181 6.493 118.642 1.00852.91 O ATOM 6785 C1* G B 359 -896.359 6.611 119.656 1.00852.91 C ATOM 6786 N9 G B 359 -897.719 6.793 119.152 1.00852.91 N ATOM 6787 C8 G B 359 -898.369 7.984 118.933 1.00852.91 C ATOM 6788 N7 G B 359 -899.590 7.828 118.488 1.00852.91 N ATOM 6789 C5 G B 359 -899.752 6.450 118.411 1.00852.91 C ATOM 6790 C6 G B 359 -900.873 5.680 117.998 1.00852.91 C ATOM 6791 O6 G B 359 -901.980 6.068 117.610 1.00852.91 O ATOM 6792 N1 G B 359 -900.606 4.316 118.068 1.00852.91 N ATOM 6793 C2 G B 359 -899.418 3.762 118.485 1.00852.91 C ATOM 6794 N2 G B 359 -899.360 2.423 118.477 1.00852.91 N ATOM 6795 N3 G B 359 -898.369 4.469 118.873 1.00852.91 N ATOM 6796 C4 G B 359 -898.605 5.797 118.813 1.00852.91 C ATOM 6797 P A B 360 -893.272 9.927 118.310 1.00852.91 P ATOM 6798 O1P A B 360 -892.623 11.164 118.812 1.00852.91 O ATOM 6799 O2P A B 360 -894.481 10.030 117.450 1.00852.91 O ATOM 6800 O5* A B 360 -892.180 9.068 117.534 1.00852.91 O ATOM 6801 C5* A B 360 -892.139 9.046 116.114 1.00852.91 C ATOM 6802 C4* A B 360 -892.596 7.697 115.607 1.00852.91 C ATOM 6803 O4* A B 360 -893.851 7.337 116.235 1.00852.91 O ATOM 6804 C3* A B 360 -892.860 7.613 114.126 1.00852.91 C ATOM 6805 O3* A B 360 -891.631 7.334 113.467 1.00852.91 O ATOM 6806 C2* A B 360 -893.866 6.467 114.013 1.00852.91 C ATOM 6807 O2* A B 360 -893.240 5.201 113.971 1.00852.91 O ATOM 6808 C1* A B 360 -894.646 6.605 115.322 1.00852.91 C ATOM 6809 N9 A B 360 -895.926 7.298 115.185 1.00852.91 N ATOM 6810 C8 A B 360 -896.132 8.652 115.089 1.00852.91 C ATOM 6811 N7 A B 360 -897.394 8.990 114.991 1.00852.91 N ATOM 6812 C5 A B 360 -898.066 7.776 115.020 1.00852.91 C ATOM 6813 C6 A B 360 -899.430 7.452 114.958 1.00852.91 C ATOM 6814 N6 A B 360 -900.400 8.363 114.859 1.00852.91 N ATOM 6815 N1 A B 360 -899.772 6.146 115.003 1.00852.91 N ATOM 6816 C2 A B 360 -898.793 5.235 115.112 1.00852.91 C ATOM 6817 N3 A B 360 -897.477 5.415 115.188 1.00852.91 N ATOM 6818 C4 A B 360 -897.174 6.724 115.133 1.00852.91 C ATOM 6819 P G B 361 -891.247 8.126 112.126 1.00852.91 P ATOM 6820 O1P G B 361 -889.936 7.610 111.657 1.00852.91 O ATOM 6821 O2P G B 361 -891.416 9.580 112.379 1.00852.91 O ATOM 6822 O5* G B 361 -892.360 7.671 111.082 1.00852.91 O ATOM 6823 C5* G B 361 -892.524 6.297 110.733 1.00852.91 C ATOM 6824 C4* G B 361 -893.899 6.083 110.152 1.00852.91 C ATOM 6825 O4* G B 361 -894.890 6.375 111.169 1.00852.91 O ATOM 6826 C3* G B 361 -894.257 6.992 108.987 1.00852.91 C ATOM 6827 O3* G B 361 -893.778 6.462 107.760 1.00852.91 O ATOM 6828 C2* G B 361 -895.779 7.061 109.067 1.00852.91 C ATOM 6829 O2* G B 361 -896.405 5.956 108.446 1.00852.91 O ATOM 6830 C1* G B 361 -896.011 7.005 110.578 1.00852.91 C ATOM 6831 N9 G B 361 -896.138 8.321 111.197 1.00852.91 N ATOM 6832 C8 G B 361 -895.110 9.182 111.500 1.00852.91 C ATOM 6833 N7 G B 361 -895.517 10.290 112.057 1.00852.91 N ATOM 6834 C5 G B 361 -896.895 10.156 112.123 1.00852.91 C ATOM 6835 C6 G B 361 -897.879 11.042 112.629 1.00852.91 C ATOM 6836 O6 G B 361 -897.725 12.158 113.139 1.00852.91 O ATOM 6837 N1 G B 361 -899.159 10.511 112.498 1.00852.91 N ATOM 6838 C2 G B 361 -899.454 9.288 111.949 1.00852.91 C ATOM 6839 N2 G B 361 -900.753 8.958 111.905 1.00852.91 N ATOM 6840 N3 G B 361 -898.546 8.449 111.475 1.00852.91 N ATOM 6841 C4 G B 361 -897.295 8.947 111.593 1.00852.91 C ATOM 6842 P C B 362 -892.702 7.295 106.904 1.00852.91 P ATOM 6843 O1P C B 362 -892.042 6.341 105.975 1.00852.91 O ATOM 6844 O2P C B 362 -891.872 8.094 107.842 1.00852.91 O ATOM 6845 O5* C B 362 -893.590 8.297 106.040 1.00852.91 O ATOM 6846 C5* C B 362 -893.214 8.628 104.707 1.00852.91 C ATOM 6847 C4* C B 362 -894.251 9.529 104.079 1.00852.91 C ATOM 6848 O4* C B 362 -895.564 8.916 104.178 1.00852.91 O ATOM 6849 C3* C B 362 -894.445 10.889 104.702 1.00852.91 C ATOM 6850 O3* C B 362 -893.447 11.792 104.243 1.00852.91 O ATOM 6851 C2* C B 362 -895.846 11.280 104.242 1.00852.91 C ATOM 6852 O2* C B 362 -895.852 11.849 102.946 1.00852.91 O ATOM 6853 C1* C B 362 -896.557 9.929 104.221 1.00852.91 C ATOM 6854 N1 C B 362 -897.381 9.724 105.422 1.00852.91 N ATOM 6855 C2 C B 362 -898.758 9.535 105.268 1.00852.91 C ATOM 6856 O2 C B 362 -899.237 9.512 104.122 1.00852.91 O ATOM 6857 N3 C B 362 -899.530 9.378 106.369 1.00852.91 N ATOM 6858 C4 C B 362 -898.976 9.404 107.582 1.00852.91 C ATOM 6859 N4 C B 362 -899.782 9.265 108.639 1.00852.91 N ATOM 6860 C5 C B 362 -897.574 9.582 107.767 1.00852.91 C ATOM 6861 C6 C B 362 -896.822 9.735 106.669 1.00852.91 C ATOM 6862 P G B 363 -892.960 12.985 105.205 1.00852.91 P ATOM 6863 O1P G B 363 -892.287 14.004 104.365 1.00852.91 O ATOM 6864 O2P G B 363 -892.235 12.383 106.356 1.00852.91 O ATOM 6865 O5* G B 363 -894.322 13.608 105.754 1.00852.91 O ATOM 6866 C5* G B 363 -894.785 14.880 105.303 1.00852.91 C ATOM 6867 C4* G B 363 -896.293 14.888 105.227 1.00852.91 C ATOM 6868 O4* G B 363 -896.858 14.172 106.348 1.00852.91 O ATOM 6869 C3* G B 363 -896.984 16.241 105.228 1.00852.91 C ATOM 6870 O3* G B 363 -897.030 16.789 103.913 1.00852.91 O ATOM 6871 C2* G B 363 -898.384 15.913 105.747 1.00852.91 C ATOM 6872 O2* G B 363 -899.265 15.519 104.714 1.00852.91 O ATOM 6873 C1* G B 363 -898.120 14.721 106.671 1.00852.91 C ATOM 6874 N9 G B 363 -898.147 15.006 108.103 1.00852.91 N ATOM 6875 C8 G B 363 -897.565 16.077 108.736 1.00852.91 C ATOM 6876 N7 G B 363 -897.723 16.051 110.030 1.00852.91 N ATOM 6877 C5 G B 363 -898.456 14.901 110.266 1.00852.91 C ATOM 6878 C6 G B 363 -898.921 14.345 111.482 1.00852.91 C ATOM 6879 O6 G B 363 -898.768 14.775 112.636 1.00852.91 O ATOM 6880 N1 G B 363 -899.636 13.172 111.269 1.00852.91 N ATOM 6881 C2 G B 363 -899.869 12.600 110.044 1.00852.91 C ATOM 6882 N2 G B 363 -900.583 11.466 110.046 1.00852.91 N ATOM 6883 N3 G B 363 -899.432 13.105 108.900 1.00852.91 N ATOM 6884 C4 G B 363 -898.740 14.249 109.085 1.00852.91 C ATOM 6885 P G B 364 -896.860 18.372 103.695 1.00852.91 P ATOM 6886 O1P G B 364 -895.971 18.554 102.520 1.00852.91 O ATOM 6887 O2P G B 364 -896.494 18.989 104.995 1.00852.91 O ATOM 6888 O5* G B 364 -898.319 18.866 103.292 1.00852.91 O ATOM 6889 C5* G B 364 -898.623 20.256 103.218 1.00852.91 C ATOM 6890 C4* G B 364 -900.007 20.515 103.764 1.00852.91 C ATOM 6891 O4* G B 364 -900.408 19.391 104.588 1.00852.91 O ATOM 6892 C3* G B 364 -900.104 21.720 104.665 1.00852.91 C ATOM 6893 O3* G B 364 -900.327 22.902 103.912 1.00852.91 O ATOM 6894 C2* G B 364 -901.266 21.375 105.583 1.00852.91 C ATOM 6895 O2* G B 364 -902.523 21.651 104.999 1.00852.91 O ATOM 6896 C1* G B 364 -901.080 19.863 105.746 1.00852.91 C ATOM 6897 N9 G B 364 -900.232 19.586 106.895 1.00852.91 N ATOM 6898 C8 G B 364 -898.864 19.463 106.894 1.00852.91 C ATOM 6899 N7 G B 364 -898.367 19.265 108.082 1.00852.91 N ATOM 6900 C5 G B 364 -899.473 19.251 108.920 1.00852.91 C ATOM 6901 C6 G B 364 -899.556 19.079 110.321 1.00852.91 C ATOM 6902 O6 G B 364 -898.638 18.913 111.136 1.00852.91 O ATOM 6903 N1 G B 364 -900.875 19.120 110.764 1.00852.91 N ATOM 6904 C2 G B 364 -901.971 19.305 109.961 1.00852.91 C ATOM 6905 N2 G B 364 -903.162 19.308 110.576 1.00852.91 N ATOM 6906 N3 G B 364 -901.907 19.471 108.649 1.00852.91 N ATOM 6907 C4 G B 364 -900.633 19.432 108.199 1.00852.91 C ATOM 6908 P U B 365 -899.196 24.045 103.889 1.00852.91 P ATOM 6909 O1P U B 365 -899.286 24.746 102.585 1.00852.91 O ATOM 6910 O2P U B 365 -897.910 23.425 104.301 1.00852.91 O ATOM 6911 O5* U B 365 -899.640 25.063 105.034 1.00852.91 O ATOM 6912 C5* U B 365 -900.230 26.319 104.703 1.00852.91 C ATOM 6913 C4* U B 365 -900.672 27.046 105.954 1.00852.91 C ATOM 6914 O4* U B 365 -901.492 26.164 106.766 1.00852.91 O ATOM 6915 C3* U B 365 -899.575 27.518 106.893 1.00852.91 C ATOM 6916 O3* U B 365 -899.063 28.787 106.497 1.00852.91 O ATOM 6917 C2* U B 365 -900.297 27.610 108.233 1.00852.91 C ATOM 6918 O2* U B 365 -901.009 28.820 108.381 1.00852.91 O ATOM 6919 C1* U B 365 -901.286 26.446 108.137 1.00852.91 C ATOM 6920 N1 U B 365 -900.777 25.232 108.795 1.00852.91 N ATOM 6921 C2 U B 365 -901.148 25.013 110.108 1.00852.91 C ATOM 6922 O2 U B 365 -901.876 25.768 110.729 1.00852.91 O ATOM 6923 N3 U B 365 -900.631 23.872 110.675 1.00852.91 N ATOM 6924 C4 U B 365 -899.802 22.949 110.067 1.00852.91 C ATOM 6925 O4 U B 365 -899.418 21.971 110.705 1.00852.91 O ATOM 6926 C5 U B 365 -899.472 23.245 108.707 1.00852.91 C ATOM 6927 C6 U B 365 -899.959 24.349 108.131 1.00852.91 C ATOM 6928 P U B 366 -897.590 29.232 106.964 1.00852.91 P ATOM 6929 O1P U B 366 -897.387 30.635 106.526 1.00852.91 O ATOM 6930 O2P U B 366 -896.626 28.182 106.533 1.00852.91 O ATOM 6931 O5* U B 366 -897.661 29.215 108.555 1.00852.91 O ATOM 6932 C5* U B 366 -898.230 30.304 109.277 1.00852.91 C ATOM 6933 C4* U B 366 -898.420 29.929 110.726 1.00852.91 C ATOM 6934 O4* U B 366 -899.008 28.603 110.806 1.00852.91 O ATOM 6935 C3* U B 366 -897.195 29.825 111.616 1.00852.91 C ATOM 6936 O3* U B 366 -896.785 31.108 112.068 1.00852.91 O ATOM 6937 C2* U B 366 -897.676 28.933 112.755 1.00852.91 C ATOM 6938 O2* U B 366 -898.389 29.647 113.741 1.00852.91 O ATOM 6939 C1* U B 366 -898.626 27.980 112.021 1.00852.91 C ATOM 6940 N1 U B 366 -897.985 26.701 111.688 1.00852.91 N ATOM 6941 C2 U B 366 -898.064 25.676 112.616 1.00852.91 C ATOM 6942 O2 U B 366 -898.648 25.789 113.678 1.00852.91 O ATOM 6943 N3 U B 366 -897.431 24.516 112.244 1.00852.91 N ATOM 6944 C4 U B 366 -896.743 24.281 111.070 1.00852.91 C ATOM 6945 O4 U B 366 -896.214 23.185 110.889 1.00852.91 O ATOM 6946 C5 U B 366 -896.713 25.386 110.166 1.00852.91 C ATOM 6947 C6 U B 366 -897.321 26.530 110.498 1.00852.91 C ATOM 6948 P G B 367 -895.367 31.267 112.816 1.00852.91 P ATOM 6949 O1P G B 367 -894.996 32.705 112.756 1.00852.91 O ATOM 6950 O2P G B 367 -894.443 30.246 112.272 1.00852.91 O ATOM 6951 O5* G B 367 -895.686 30.898 114.335 1.00852.91 O ATOM 6952 C5* G B 367 -896.244 31.866 115.217 1.00852.91 C ATOM 6953 C4* G B 367 -896.312 31.322 116.627 1.00852.91 C ATOM 6954 O4* G B 367 -896.950 30.017 116.608 1.00852.91 O ATOM 6955 C3* G B 367 -894.970 31.112 117.319 1.00852.91 C ATOM 6956 O3* G B 367 -894.542 32.292 118.003 1.00852.91 O ATOM 6957 C2* G B 367 -895.271 29.982 118.299 1.00852.91 C ATOM 6958 O2* G B 367 -895.847 30.444 119.502 1.00852.91 O ATOM 6959 C1* G B 367 -896.299 29.157 117.525 1.00852.91 C ATOM 6960 N9 G B 367 -895.700 28.049 116.788 1.00852.91 N ATOM 6961 C8 G B 367 -895.670 27.859 115.429 1.00852.91 C ATOM 6962 N7 G B 367 -895.059 26.762 115.077 1.00852.91 N ATOM 6963 C5 G B 367 -894.656 26.191 116.280 1.00852.91 C ATOM 6964 C6 G B 367 -893.945 24.984 116.540 1.00852.91 C ATOM 6965 O6 G B 367 -893.518 24.146 115.735 1.00852.91 O ATOM 6966 N1 G B 367 -893.746 24.795 117.904 1.00852.91 N ATOM 6967 C2 G B 367 -894.174 25.649 118.889 1.00852.91 C ATOM 6968 N2 G B 367 -893.884 25.289 120.148 1.00852.91 N ATOM 6969 N3 G B 367 -894.838 26.768 118.661 1.00852.91 N ATOM 6970 C4 G B 367 -895.042 26.977 117.344 1.00852.91 C ATOM 6971 P A B 368 -892.994 32.734 117.951 1.00852.91 P ATOM 6972 O1P A B 368 -892.978 34.212 117.783 1.00852.91 O ATOM 6973 O2P A B 368 -892.293 31.877 116.961 1.00852.91 O ATOM 6974 O5* A B 368 -892.413 32.403 119.401 1.00852.91 O ATOM 6975 C5* A B 368 -891.008 32.367 119.640 1.00852.91 C ATOM 6976 C4* A B 368 -890.655 31.229 120.573 1.00852.91 C ATOM 6977 O4* A B 368 -891.648 30.181 120.444 1.00852.91 O ATOM 6978 C3* A B 368 -889.315 30.569 120.276 1.00852.91 C ATOM 6979 O3* A B 368 -888.244 31.210 120.958 1.00852.91 O ATOM 6980 C2* A B 368 -889.529 29.138 120.762 1.00852.91 C ATOM 6981 O2* A B 368 -889.309 28.995 122.152 1.00852.91 O ATOM 6982 C1* A B 368 -891.011 28.918 120.451 1.00852.91 C ATOM 6983 N9 A B 368 -891.218 28.302 119.142 1.00852.91 N ATOM 6984 C8 A B 368 -892.123 28.663 118.174 1.00852.91 C ATOM 6985 N7 A B 368 -892.059 27.932 117.089 1.00852.91 N ATOM 6986 C5 A B 368 -891.044 27.023 117.360 1.00852.91 C ATOM 6987 C6 A B 368 -890.485 25.980 116.605 1.00852.91 C ATOM 6988 N6 A B 368 -890.878 25.665 115.369 1.00852.91 N ATOM 6989 N1 A B 368 -889.490 25.262 117.170 1.00852.91 N ATOM 6990 C2 A B 368 -889.089 25.583 118.407 1.00852.91 C ATOM 6991 N3 A B 368 -889.532 26.544 119.212 1.00852.91 N ATOM 6992 C4 A B 368 -890.521 27.237 118.623 1.00852.91 C ATOM 6993 P C B 369 -887.168 32.067 120.119 1.00852.91 P ATOM 6994 O1P C B 369 -886.119 32.511 121.069 1.00852.91 O ATOM 6995 O2P C B 369 -887.908 33.075 119.320 1.00852.91 O ATOM 6996 O5* C B 369 -886.511 31.020 119.111 1.00852.91 O ATOM 6997 C5* C B 369 -885.402 31.383 118.293 1.00852.91 C ATOM 6998 C4* C B 369 -885.115 30.298 117.278 1.00852.91 C ATOM 6999 O4* C B 369 -886.311 30.088 116.480 1.00852.91 O ATOM 7000 C3* C B 369 -884.044 30.581 116.248 1.00852.91 C ATOM 7001 O3* C B 369 -882.733 30.298 116.724 1.00852.91 O ATOM 7002 C2* C B 369 -884.423 29.654 115.101 1.00852.91 C ATOM 7003 O2* C B 369 -883.970 28.333 115.297 1.00852.91 O ATOM 7004 C1* C B 369 -885.948 29.691 115.169 1.00852.91 C ATOM 7005 N1 C B 369 -886.488 30.683 114.225 1.00852.91 N ATOM 7006 C2 C B 369 -886.796 30.280 112.922 1.00852.91 C ATOM 7007 O2 C B 369 -886.639 29.089 112.612 1.00852.91 O ATOM 7008 N3 C B 369 -887.254 31.194 112.036 1.00852.91 N ATOM 7009 C4 C B 369 -887.410 32.464 112.412 1.00852.91 C ATOM 7010 N4 C B 369 -887.853 33.335 111.503 1.00852.91 N ATOM 7011 C5 C B 369 -887.120 32.900 113.738 1.00852.91 C ATOM 7012 C6 C B 369 -886.666 31.984 114.603 1.00852.91 C ATOM 7013 P U B 370 -881.457 30.743 115.850 1.00852.91 P ATOM 7014 O1P U B 370 -881.243 29.711 114.804 1.00852.91 O ATOM 7015 O2P U B 370 -880.352 31.082 116.786 1.00852.91 O ATOM 7016 O5* U B 370 -881.919 32.088 115.127 1.00852.91 O ATOM 7017 C5* U B 370 -881.493 32.393 113.800 1.00852.91 C ATOM 7018 C4* U B 370 -882.694 32.618 112.905 1.00852.91 C ATOM 7019 O4* U B 370 -883.273 33.911 113.212 1.00852.91 O ATOM 7020 C3* U B 370 -882.416 32.802 111.421 1.00852.91 C ATOM 7021 O3* U B 370 -882.298 31.522 110.809 1.00852.91 O ATOM 7022 C2* U B 370 -883.619 33.569 110.887 1.00852.91 C ATOM 7023 O2* U B 370 -884.673 32.720 110.484 1.00852.91 O ATOM 7024 C1* U B 370 -884.043 34.372 112.115 1.00852.91 C ATOM 7025 N1 U B 370 -883.779 35.807 111.948 1.00852.91 N ATOM 7026 C2 U B 370 -884.842 36.626 111.622 1.00852.91 C ATOM 7027 O2 U B 370 -885.979 36.208 111.484 1.00852.91 O ATOM 7028 N3 U B 370 -884.524 37.949 111.459 1.00852.91 N ATOM 7029 C4 U B 370 -883.275 38.525 111.590 1.00852.91 C ATOM 7030 O4 U B 370 -883.142 39.736 111.389 1.00852.91 O ATOM 7031 C5 U B 370 -882.232 37.615 111.941 1.00852.91 C ATOM 7032 C6 U B 370 -882.512 36.318 112.106 1.00852.91 C ATOM 7033 P G B 371 -881.170 31.278 109.690 1.00852.91 P ATOM 7034 O1P G B 371 -880.474 30.011 110.022 1.00852.91 O ATOM 7035 O2P G B 371 -880.386 32.530 109.540 1.00852.91 O ATOM 7036 O5* G B 371 -882.008 31.052 108.354 1.00852.91 O ATOM 7037 C5* G B 371 -882.643 29.807 108.093 1.00852.91 C ATOM 7038 C4* G B 371 -882.959 29.681 106.625 1.00852.91 C ATOM 7039 O4* G B 371 -884.368 29.950 106.406 1.00852.91 O ATOM 7040 C3* G B 371 -882.263 30.622 105.668 1.00852.91 C ATOM 7041 O3* G B 371 -880.954 30.154 105.365 1.00852.91 O ATOM 7042 C2* G B 371 -883.183 30.624 104.453 1.00852.91 C ATOM 7043 O2* G B 371 -882.943 29.530 103.590 1.00852.91 O ATOM 7044 C1* G B 371 -884.559 30.469 105.103 1.00852.91 C ATOM 7045 N9 G B 371 -885.267 31.739 105.220 1.00852.91 N ATOM 7046 C8 G B 371 -885.498 32.456 106.366 1.00852.91 C ATOM 7047 N7 G B 371 -886.150 33.569 106.154 1.00852.91 N ATOM 7048 C5 G B 371 -886.363 33.584 104.783 1.00852.91 C ATOM 7049 C6 G B 371 -887.017 34.543 103.967 1.00852.91 C ATOM 7050 O6 G B 371 -887.551 35.608 104.304 1.00852.91 O ATOM 7051 N1 G B 371 -887.009 34.165 102.628 1.00852.91 N ATOM 7052 C2 G B 371 -886.448 33.014 102.137 1.00852.91 C ATOM 7053 N2 G B 371 -886.544 32.824 100.813 1.00852.91 N ATOM 7054 N3 G B 371 -885.832 32.112 102.886 1.00852.91 N ATOM 7055 C4 G B 371 -885.828 32.460 104.191 1.00852.91 C ATOM 7056 P U B 372 -879.691 31.125 105.590 1.00852.91 P ATOM 7057 O1P U B 372 -878.587 30.622 104.731 1.00852.91 O ATOM 7058 O2P U B 372 -879.477 31.274 107.051 1.00852.91 O ATOM 7059 O5* U B 372 -880.173 32.528 105.008 1.00852.91 O ATOM 7060 C5* U B 372 -879.232 33.517 104.600 1.00852.91 C ATOM 7061 C4* U B 372 -879.081 33.505 103.097 1.00852.91 C ATOM 7062 O4* U B 372 -880.268 34.077 102.488 1.00852.91 O ATOM 7063 C3* U B 372 -877.963 34.365 102.537 1.00852.91 C ATOM 7064 O3* U B 372 -876.737 33.640 102.564 1.00852.91 O ATOM 7065 C2* U B 372 -878.407 34.635 101.105 1.00852.91 C ATOM 7066 O2* U B 372 -878.026 33.600 100.223 1.00852.91 O ATOM 7067 C1* U B 372 -879.930 34.651 101.240 1.00852.91 C ATOM 7068 N1 U B 372 -880.501 36.005 101.170 1.00852.91 N ATOM 7069 C2 U B 372 -881.133 36.370 99.998 1.00852.91 C ATOM 7070 O2 U B 372 -881.244 35.617 99.043 1.00852.91 O ATOM 7071 N3 U B 372 -881.629 37.650 99.979 1.00852.91 N ATOM 7072 C4 U B 372 -881.563 38.577 100.997 1.00852.91 C ATOM 7073 O4 U B 372 -882.047 39.700 100.824 1.00852.91 O ATOM 7074 C5 U B 372 -880.898 38.122 102.178 1.00852.91 C ATOM 7075 C6 U B 372 -880.401 36.880 102.225 1.00852.91 C ATOM 7076 P A B 373 -875.652 33.951 103.708 1.00852.91 P ATOM 7077 O1P A B 373 -875.801 32.918 104.767 1.00852.91 O ATOM 7078 O2P A B 373 -875.753 35.390 104.066 1.00852.91 O ATOM 7079 O5* A B 373 -874.251 33.721 102.983 1.00852.91 O ATOM 7080 C5* A B 373 -873.024 34.006 103.648 1.00852.91 C ATOM 7081 C4* A B 373 -871.946 33.054 103.191 1.00852.91 C ATOM 7082 O4* A B 373 -871.652 33.292 101.789 1.00852.91 O ATOM 7083 C3* A B 373 -870.594 33.200 103.857 1.00852.91 C ATOM 7084 O3* A B 373 -870.578 32.521 105.108 1.00852.91 O ATOM 7085 C2* A B 373 -869.634 32.584 102.844 1.00852.91 C ATOM 7086 O2* A B 373 -869.547 31.179 102.967 1.00852.91 O ATOM 7087 C1* A B 373 -870.306 32.944 101.517 1.00852.91 C ATOM 7088 N9 A B 373 -869.671 34.079 100.844 1.00852.91 N ATOM 7089 C8 A B 373 -869.606 35.378 101.277 1.00852.91 C ATOM 7090 N7 A B 373 -868.971 36.179 100.458 1.00852.91 N ATOM 7091 C5 A B 373 -868.591 35.350 99.411 1.00852.91 C ATOM 7092 C6 A B 373 -867.882 35.594 98.223 1.00852.91 C ATOM 7093 N6 A B 373 -867.412 36.793 97.873 1.00852.91 N ATOM 7094 N1 A B 373 -867.671 34.549 97.392 1.00852.91 N ATOM 7095 C2 A B 373 -868.144 33.346 97.744 1.00852.91 C ATOM 7096 N3 A B 373 -868.825 32.991 98.834 1.00852.91 N ATOM 7097 C4 A B 373 -869.016 34.055 99.636 1.00852.91 C ATOM 7098 P A B 387 -852.266 17.350 91.119 1.00855.43 P ATOM 7099 O1P A B 387 -851.105 16.447 90.922 1.00855.43 O ATOM 7100 O2P A B 387 -852.046 18.815 91.227 1.00855.43 O ATOM 7101 O5* A B 387 -853.298 17.087 89.934 1.00855.43 O ATOM 7102 C5* A B 387 -852.856 17.038 88.580 1.00855.43 C ATOM 7103 C4* A B 387 -853.325 18.263 87.831 1.00855.43 C ATOM 7104 O4* A B 387 -853.222 19.434 88.676 1.00855.43 O ATOM 7105 C3* A B 387 -852.522 18.588 86.587 1.00855.43 C ATOM 7106 O3* A B 387 -853.024 17.879 85.456 1.00855.43 O ATOM 7107 C2* A B 387 -852.680 20.099 86.450 1.00855.43 C ATOM 7108 O2* A B 387 -853.864 20.457 85.766 1.00855.43 O ATOM 7109 C1* A B 387 -852.783 20.541 87.914 1.00855.43 C ATOM 7110 N9 A B 387 -851.532 21.015 88.513 1.00855.43 N ATOM 7111 C8 A B 387 -851.184 22.330 88.737 1.00855.43 C ATOM 7112 N7 A B 387 -850.002 22.487 89.278 1.00855.43 N ATOM 7113 C5 A B 387 -849.537 21.187 89.423 1.00855.43 C ATOM 7114 C6 A B 387 -848.347 20.685 89.938 1.00855.43 C ATOM 7115 N6 A B 387 -847.385 21.491 90.421 1.00855.43 N ATOM 7116 N1 A B 387 -848.177 19.338 89.947 1.00855.43 N ATOM 7117 C2 A B 387 -849.167 18.565 89.461 1.00855.43 C ATOM 7118 N3 A B 387 -850.343 18.929 88.946 1.00855.43 N ATOM 7119 C4 A B 387 -850.466 20.268 88.955 1.00855.43 C ATOM 7120 P G B 388 -852.492 16.394 85.147 1.00855.43 P ATOM 7121 O1P G B 388 -853.655 15.481 85.286 1.00855.43 O ATOM 7122 O2P G B 388 -851.266 16.150 85.950 1.00855.43 O ATOM 7123 O5* G B 388 -852.092 16.448 83.606 1.00855.43 O ATOM 7124 C5* G B 388 -853.042 16.849 82.628 1.00855.43 C ATOM 7125 C4* G B 388 -852.377 17.688 81.564 1.00855.43 C ATOM 7126 O4* G B 388 -852.020 18.990 82.094 1.00855.43 O ATOM 7127 C3* G B 388 -851.089 17.064 81.073 1.00855.43 C ATOM 7128 O3* G B 388 -851.359 16.185 79.987 1.00855.43 O ATOM 7129 C2* G B 388 -850.255 18.272 80.655 1.00855.43 C ATOM 7130 O2* G B 388 -850.546 18.707 79.345 1.00855.43 O ATOM 7131 C1* G B 388 -850.720 19.337 81.650 1.00855.43 C ATOM 7132 N9 G B 388 -849.847 19.462 82.811 1.00855.43 N ATOM 7133 C8 G B 388 -850.188 19.298 84.133 1.00855.43 C ATOM 7134 N7 G B 388 -849.188 19.486 84.948 1.00855.43 N ATOM 7135 C5 G B 388 -848.121 19.790 84.116 1.00855.43 C ATOM 7136 C6 G B 388 -846.772 20.094 84.429 1.00855.43 C ATOM 7137 O6 G B 388 -846.240 20.160 85.541 1.00855.43 O ATOM 7138 N1 G B 388 -846.022 20.334 83.281 1.00855.43 N ATOM 7139 C2 G B 388 -846.506 20.290 81.997 1.00855.43 C ATOM 7140 N2 G B 388 -845.622 20.549 81.021 1.00855.43 N ATOM 7141 N3 G B 388 -847.762 20.013 81.694 1.00855.43 N ATOM 7142 C4 G B 388 -848.509 19.775 82.794 1.00855.43 C ATOM 7143 P G B 389 -850.535 14.813 79.851 1.00855.43 P ATOM 7144 O1P G B 389 -850.819 14.252 78.506 1.00855.43 O ATOM 7145 O2P G B 389 -850.789 13.991 81.059 1.00855.43 O ATOM 7146 O5* G B 389 -849.013 15.282 79.877 1.00855.43 O ATOM 7147 C5* G B 389 -848.474 16.066 78.817 1.00855.43 C ATOM 7148 C4* G B 389 -846.975 16.173 78.956 1.00855.43 C ATOM 7149 O4* G B 389 -846.647 16.880 80.180 1.00855.43 O ATOM 7150 C3* G B 389 -846.260 14.833 79.087 1.00855.43 C ATOM 7151 O3* G B 389 -846.011 14.222 77.826 1.00855.43 O ATOM 7152 C2* G B 389 -844.984 15.212 79.829 1.00855.43 C ATOM 7153 O2* G B 389 -843.986 15.721 78.969 1.00855.43 O ATOM 7154 C1* G B 389 -845.477 16.328 80.754 1.00855.43 C ATOM 7155 N9 G B 389 -845.808 15.869 82.098 1.00855.43 N ATOM 7156 C8 G B 389 -847.048 15.505 82.562 1.00855.43 C ATOM 7157 N7 G B 389 -847.042 15.143 83.815 1.00855.43 N ATOM 7158 C5 G B 389 -845.713 15.273 84.202 1.00855.43 C ATOM 7159 C6 G B 389 -845.096 15.025 85.456 1.00855.43 C ATOM 7160 O6 G B 389 -845.614 14.625 86.509 1.00855.43 O ATOM 7161 N1 G B 389 -843.730 15.281 85.410 1.00855.43 N ATOM 7162 C2 G B 389 -843.046 15.724 84.304 1.00855.43 C ATOM 7163 N2 G B 389 -841.727 15.916 84.464 1.00855.43 N ATOM 7164 N3 G B 389 -843.612 15.962 83.133 1.00855.43 N ATOM 7165 C4 G B 389 -844.939 15.718 83.153 1.00855.43 C ATOM 7166 P U B 390 -845.997 12.619 77.708 1.00855.43 P ATOM 7167 O1P U B 390 -846.206 12.279 76.278 1.00855.43 O ATOM 7168 O2P U B 390 -846.915 12.066 78.736 1.00855.43 O ATOM 7169 O5* U B 390 -844.505 12.225 78.101 1.00855.43 O ATOM 7170 C5* U B 390 -843.403 12.693 77.330 1.00855.43 C ATOM 7171 C4* U B 390 -842.117 12.516 78.095 1.00855.43 C ATOM 7172 O4* U B 390 -842.168 13.298 79.315 1.00855.43 O ATOM 7173 C3* U B 390 -841.789 11.107 78.550 1.00855.43 C ATOM 7174 O3* U B 390 -841.111 10.426 77.500 1.00855.43 O ATOM 7175 C2* U B 390 -840.883 11.332 79.758 1.00855.43 C ATOM 7176 O2* U B 390 -839.530 11.519 79.393 1.00855.43 O ATOM 7177 C1* U B 390 -841.435 12.642 80.333 1.00855.43 C ATOM 7178 N1 U B 390 -842.304 12.477 81.508 1.00855.43 N ATOM 7179 C2 U B 390 -841.700 12.440 82.749 1.00855.43 C ATOM 7180 O2 U B 390 -840.495 12.519 82.901 1.00855.43 O ATOM 7181 N3 U B 390 -842.563 12.308 83.811 1.00855.43 N ATOM 7182 C4 U B 390 -843.938 12.208 83.755 1.00855.43 C ATOM 7183 O4 U B 390 -844.576 12.092 84.804 1.00855.43 O ATOM 7184 C5 U B 390 -844.487 12.243 82.433 1.00855.43 C ATOM 7185 C6 U B 390 -843.671 12.373 81.380 1.00855.43 C ATOM 7186 P C B 391 -841.611 8.968 77.044 1.00855.43 P ATOM 7187 O1P C B 391 -840.871 8.619 75.804 1.00855.43 O ATOM 7188 O2P C B 391 -843.095 8.958 77.036 1.00855.43 O ATOM 7189 O5* C B 391 -841.104 8.008 78.207 1.00855.43 O ATOM 7190 C5* C B 391 -839.759 7.546 78.231 1.00855.43 C ATOM 7191 C4* C B 391 -839.456 6.887 79.555 1.00855.43 C ATOM 7192 O4* C B 391 -839.616 7.849 80.630 1.00855.43 O ATOM 7193 C3* C B 391 -840.370 5.742 79.943 1.00855.43 C ATOM 7194 O3* C B 391 -840.011 4.516 79.320 1.00855.43 O ATOM 7195 C2* C B 391 -840.231 5.699 81.459 1.00855.43 C ATOM 7196 O2* C B 391 -839.085 4.988 81.884 1.00855.43 O ATOM 7197 C1* C B 391 -840.070 7.184 81.799 1.00855.43 C ATOM 7198 N1 C B 391 -841.344 7.794 82.213 1.00855.43 N ATOM 7199 C2 C B 391 -841.536 8.105 83.559 1.00855.43 C ATOM 7200 O2 C B 391 -840.617 7.892 84.364 1.00855.43 O ATOM 7201 N3 C B 391 -842.718 8.630 83.953 1.00855.43 N ATOM 7202 C4 C B 391 -843.686 8.843 83.057 1.00855.43 C ATOM 7203 N4 C B 391 -844.848 9.338 83.494 1.00855.43 N ATOM 7204 C5 C B 391 -843.508 8.553 81.675 1.00855.43 C ATOM 7205 C6 C B 391 -842.334 8.036 81.300 1.00855.43 C ATOM 7206 P G B 392 -841.133 3.392 79.086 1.00855.43 P ATOM 7207 O1P G B 392 -840.514 2.279 78.321 1.00855.43 O ATOM 7208 O2P G B 392 -842.356 4.052 78.565 1.00855.43 O ATOM 7209 O5* G B 392 -841.446 2.873 80.559 1.00855.43 O ATOM 7210 C5* G B 392 -840.454 2.184 81.304 1.00855.43 C ATOM 7211 C4* G B 392 -840.955 1.884 82.691 1.00855.43 C ATOM 7212 O4* G B 392 -841.139 3.113 83.443 1.00855.43 O ATOM 7213 C3* G B 392 -842.291 1.161 82.791 1.00855.43 C ATOM 7214 O3* G B 392 -842.174 -0.240 82.607 1.00855.43 O ATOM 7215 C2* G B 392 -842.756 1.527 84.199 1.00855.43 C ATOM 7216 O2* G B 392 -842.191 0.697 85.191 1.00855.43 O ATOM 7217 C1* G B 392 -842.221 2.951 84.347 1.00855.43 C ATOM 7218 N9 G B 392 -843.234 3.979 84.111 1.00855.43 N ATOM 7219 C8 G B 392 -843.274 4.950 83.136 1.00855.43 C ATOM 7220 N7 G B 392 -844.344 5.706 83.205 1.00855.43 N ATOM 7221 C5 G B 392 -845.047 5.206 84.299 1.00855.43 C ATOM 7222 C6 G B 392 -846.316 5.602 84.900 1.00855.43 C ATOM 7223 O6 G B 392 -847.099 6.500 84.593 1.00855.43 O ATOM 7224 N1 G B 392 -846.635 4.806 85.987 1.00855.43 N ATOM 7225 C2 G B 392 -845.878 3.778 86.454 1.00855.43 C ATOM 7226 N2 G B 392 -846.374 3.151 87.517 1.00855.43 N ATOM 7227 N3 G B 392 -844.725 3.395 85.929 1.00855.43 N ATOM 7228 C4 G B 392 -844.374 4.143 84.863 1.00855.43 C ATOM 7229 P U B 393 -843.449 -1.066 82.098 1.00855.43 P ATOM 7230 O1P U B 393 -843.257 -2.477 82.479 1.00855.43 O ATOM 7231 O2P U B 393 -843.701 -0.720 80.676 1.00855.43 O ATOM 7232 O5* U B 393 -844.633 -0.474 82.979 1.00855.43 O ATOM 7233 C5* U B 393 -845.992 -0.773 82.691 1.00855.43 C ATOM 7234 C4* U B 393 -846.855 -0.340 83.843 1.00855.43 C ATOM 7235 O4* U B 393 -846.643 1.062 84.126 1.00855.43 O ATOM 7236 C3* U B 393 -848.356 -0.471 83.673 1.00855.43 C ATOM 7237 O3* U B 393 -848.796 -1.798 83.956 1.00855.43 O ATOM 7238 C2* U B 393 -848.894 0.520 84.697 1.00855.43 C ATOM 7239 O2* U B 393 -848.970 -0.023 85.999 1.00855.43 O ATOM 7240 C1* U B 393 -847.822 1.617 84.677 1.00855.43 C ATOM 7241 N1 U B 393 -848.198 2.766 83.852 1.00855.43 N ATOM 7242 C2 U B 393 -849.115 3.659 84.368 1.00855.43 C ATOM 7243 O2 U B 393 -849.613 3.533 85.473 1.00855.43 O ATOM 7244 N3 U B 393 -849.427 4.706 83.539 1.00855.43 N ATOM 7245 C4 U B 393 -848.926 4.944 82.277 1.00855.43 C ATOM 7246 O4 U B 393 -849.300 5.939 81.653 1.00855.43 O ATOM 7247 C5 U B 393 -847.983 3.973 81.815 1.00855.43 C ATOM 7248 C6 U B 393 -847.661 2.946 82.602 1.00855.43 C ATOM 7249 P U B 394 -850.295 -2.242 83.590 1.00855.43 P ATOM 7250 O1P U B 394 -850.377 -3.712 83.784 1.00855.43 O ATOM 7251 O2P U B 394 -850.645 -1.656 82.271 1.00855.43 O ATOM 7252 O5* U B 394 -851.186 -1.546 84.715 1.00855.43 O ATOM 7253 C5* U B 394 -851.518 -2.240 85.911 1.00855.43 C ATOM 7254 C4* U B 394 -852.725 -1.612 86.566 1.00855.43 C ATOM 7255 O4* U B 394 -852.409 -0.257 86.978 1.00855.43 O ATOM 7256 C3* U B 394 -853.959 -1.462 85.694 1.00855.43 C ATOM 7257 O3* U B 394 -854.721 -2.666 85.668 1.00855.43 O ATOM 7258 C2* U B 394 -854.714 -0.322 86.369 1.00855.43 C ATOM 7259 O2* U B 394 -855.500 -0.761 87.460 1.00855.43 O ATOM 7260 C1* U B 394 -853.572 0.548 86.900 1.00855.43 C ATOM 7261 N1 U B 394 -853.270 1.724 86.071 1.00855.43 N ATOM 7262 C2 U B 394 -853.589 2.973 86.577 1.00855.43 C ATOM 7263 O2 U B 394 -854.120 3.136 87.665 1.00855.43 O ATOM 7264 N3 U B 394 -853.263 4.028 85.762 1.00855.43 N ATOM 7265 C4 U B 394 -852.669 3.966 84.519 1.00855.43 C ATOM 7266 O4 U B 394 -852.421 5.010 83.913 1.00855.43 O ATOM 7267 C5 U B 394 -852.380 2.641 84.060 1.00855.43 C ATOM 7268 C6 U B 394 -852.683 1.592 84.834 1.00855.43 C ATOM 7269 P G B 395 -855.584 -3.034 84.368 1.00855.43 P ATOM 7270 O1P G B 395 -856.223 -4.353 84.610 1.00855.43 O ATOM 7271 O2P G B 395 -854.736 -2.841 83.168 1.00855.43 O ATOM 7272 O5* G B 395 -856.732 -1.927 84.352 1.00855.43 O ATOM 7273 C5* G B 395 -857.580 -1.736 85.480 1.00855.43 C ATOM 7274 C4* G B 395 -858.481 -0.547 85.260 1.00855.43 C ATOM 7275 O4* G B 395 -857.684 0.644 85.044 1.00855.43 O ATOM 7276 C3* G B 395 -859.403 -0.569 84.049 1.00855.43 C ATOM 7277 O3* G B 395 -860.559 -1.356 84.311 1.00855.43 O ATOM 7278 C2* G B 395 -859.724 0.907 83.835 1.00855.43 C ATOM 7279 O2* G B 395 -860.786 1.358 84.653 1.00855.43 O ATOM 7280 C1* G B 395 -858.418 1.578 84.276 1.00855.43 C ATOM 7281 N9 G B 395 -857.576 2.008 83.163 1.00855.43 N ATOM 7282 C8 G B 395 -856.492 1.344 82.645 1.00855.43 C ATOM 7283 N7 G B 395 -855.918 1.984 81.662 1.00855.43 N ATOM 7284 C5 G B 395 -856.674 3.141 81.519 1.00855.43 C ATOM 7285 C6 G B 395 -856.529 4.224 80.616 1.00855.43 C ATOM 7286 O6 G B 395 -855.674 4.390 79.737 1.00855.43 O ATOM 7287 N1 G B 395 -857.514 5.190 80.812 1.00855.43 N ATOM 7288 C2 G B 395 -858.506 5.121 81.759 1.00855.43 C ATOM 7289 N2 G B 395 -859.363 6.152 81.788 1.00855.43 N ATOM 7290 N3 G B 395 -858.649 4.118 82.609 1.00855.43 N ATOM 7291 C4 G B 395 -857.704 3.170 82.434 1.00855.43 C ATOM 7292 P U B 396 -861.275 -2.138 83.108 1.00855.43 P ATOM 7293 O1P U B 396 -862.409 -2.900 83.692 1.00855.43 O ATOM 7294 O2P U B 396 -860.234 -2.853 82.328 1.00855.43 O ATOM 7295 O5* U B 396 -861.873 -0.968 82.205 1.00855.43 O ATOM 7296 C5* U B 396 -862.762 -0.011 82.764 1.00855.43 C ATOM 7297 C4* U B 396 -862.881 1.197 81.867 1.00855.43 C ATOM 7298 O4* U B 396 -861.627 1.921 81.819 1.00855.43 O ATOM 7299 C3* U B 396 -863.214 0.898 80.421 1.00855.43 C ATOM 7300 O3* U B 396 -864.620 0.748 80.274 1.00855.43 O ATOM 7301 C2* U B 396 -862.699 2.135 79.695 1.00855.43 C ATOM 7302 O2* U B 396 -863.629 3.196 79.702 1.00855.43 O ATOM 7303 C1* U B 396 -861.484 2.524 80.543 1.00855.43 C ATOM 7304 N1 U B 396 -860.203 2.104 79.953 1.00855.43 N ATOM 7305 C2 U B 396 -859.553 3.013 79.144 1.00855.43 C ATOM 7306 O2 U B 396 -859.984 4.134 78.929 1.00855.43 O ATOM 7307 N3 U B 396 -858.380 2.567 78.592 1.00855.43 N ATOM 7308 C4 U B 396 -857.799 1.325 78.769 1.00855.43 C ATOM 7309 O4 U B 396 -856.757 1.058 78.171 1.00855.43 O ATOM 7310 C5 U B 396 -858.526 0.448 79.634 1.00855.43 C ATOM 7311 C6 U B 396 -859.676 0.857 80.184 1.00855.43 C ATOM 7312 P U B 397 -865.255 -0.722 80.167 1.00855.43 P ATOM 7313 O1P U B 397 -866.671 -0.635 80.597 1.00855.43 O ATOM 7314 O2P U B 397 -864.338 -1.669 80.853 1.00855.43 O ATOM 7315 O5* U B 397 -865.231 -1.057 78.609 1.00855.43 O ATOM 7316 C5* U B 397 -865.555 -2.366 78.150 1.00855.43 C ATOM 7317 C4* U B 397 -864.658 -2.763 77.001 1.00855.43 C ATOM 7318 O4* U B 397 -865.107 -2.145 75.769 1.00855.43 O ATOM 7319 C3* U B 397 -863.198 -2.355 77.127 1.00855.43 C ATOM 7320 O3* U B 397 -862.457 -3.268 77.925 1.00855.43 O ATOM 7321 C2* U B 397 -862.732 -2.342 75.675 1.00855.43 C ATOM 7322 O2* U B 397 -862.368 -3.626 75.208 1.00855.43 O ATOM 7323 C1* U B 397 -863.989 -1.870 74.941 1.00855.43 C ATOM 7324 N1 U B 397 -863.970 -0.432 74.644 1.00855.43 N ATOM 7325 C2 U B 397 -863.131 0.002 73.636 1.00855.43 C ATOM 7326 O2 U B 397 -862.428 -0.756 72.991 1.00855.43 O ATOM 7327 N3 U B 397 -863.146 1.356 73.411 1.00855.43 N ATOM 7328 C4 U B 397 -863.899 2.302 74.079 1.00855.43 C ATOM 7329 O4 U B 397 -863.792 3.487 73.772 1.00855.43 O ATOM 7330 C5 U B 397 -864.746 1.771 75.101 1.00855.43 C ATOM 7331 C6 U B 397 -864.752 0.455 75.344 1.00855.43 C ATOM 7332 P C B 398 -861.212 -2.730 78.791 1.00855.43 P ATOM 7333 O1P C B 398 -860.774 -3.837 79.675 1.00855.43 O ATOM 7334 O2P C B 398 -861.589 -1.423 79.380 1.00855.43 O ATOM 7335 O5* C B 398 -860.085 -2.485 77.695 1.00855.43 O ATOM 7336 C5* C B 398 -859.690 -3.534 76.818 1.00855.43 C ATOM 7337 C4* C B 398 -858.995 -2.979 75.597 1.00855.43 C ATOM 7338 O4* C B 398 -859.898 -2.135 74.837 1.00855.43 O ATOM 7339 C3* C B 398 -857.783 -2.119 75.873 1.00855.43 C ATOM 7340 O3* C B 398 -856.628 -2.929 76.037 1.00855.43 O ATOM 7341 C2* C B 398 -857.691 -1.263 74.613 1.00855.43 C ATOM 7342 O2* C B 398 -857.045 -1.934 73.554 1.00855.43 O ATOM 7343 C1* C B 398 -859.163 -1.073 74.248 1.00855.43 C ATOM 7344 N1 C B 398 -859.711 0.211 74.714 1.00855.43 N ATOM 7345 C2 C B 398 -859.524 1.347 73.915 1.00855.43 C ATOM 7346 O2 C B 398 -858.905 1.233 72.845 1.00855.43 O ATOM 7347 N3 C B 398 -860.021 2.536 74.327 1.00855.43 N ATOM 7348 C4 C B 398 -860.680 2.616 75.483 1.00855.43 C ATOM 7349 N4 C B 398 -861.155 3.808 75.849 1.00855.43 N ATOM 7350 C5 C B 398 -860.886 1.477 76.316 1.00855.43 C ATOM 7351 C6 C B 398 -860.387 0.306 75.897 1.00855.43 C ATOM 7352 P G B 399 -855.443 -2.432 77.003 1.00855.43 P ATOM 7353 O1P G B 399 -856.038 -2.175 78.338 1.00855.43 O ATOM 7354 O2P G B 399 -854.702 -1.345 76.310 1.00855.43 O ATOM 7355 O5* G B 399 -854.489 -3.700 77.120 1.00855.43 O ATOM 7356 C5* G B 399 -853.744 -4.157 75.998 1.00855.43 C ATOM 7357 C4* G B 399 -853.062 -5.462 76.327 1.00855.43 C ATOM 7358 O4* G B 399 -854.037 -6.425 76.799 1.00855.43 O ATOM 7359 C3* G B 399 -852.307 -6.156 75.189 1.00855.43 C ATOM 7360 O3* G B 399 -850.984 -5.651 75.049 1.00855.43 O ATOM 7361 C2* G B 399 -852.326 -7.620 75.626 1.00855.43 C ATOM 7362 O2* G B 399 -851.274 -7.930 76.514 1.00855.43 O ATOM 7363 C1* G B 399 -853.657 -7.718 76.382 1.00855.43 C ATOM 7364 N9 G B 399 -854.779 -8.339 75.681 1.00855.43 N ATOM 7365 C8 G B 399 -855.863 -7.695 75.134 1.00855.43 C ATOM 7366 N7 G B 399 -856.737 -8.514 74.614 1.00855.43 N ATOM 7367 C5 G B 399 -856.194 -9.777 74.824 1.00855.43 C ATOM 7368 C6 G B 399 -856.697 -11.060 74.482 1.00855.43 C ATOM 7369 O6 G B 399 -857.758 -11.347 73.918 1.00855.43 O ATOM 7370 N1 G B 399 -855.818 -12.066 74.869 1.00855.43 N ATOM 7371 C2 G B 399 -854.620 -11.871 75.504 1.00855.43 C ATOM 7372 N2 G B 399 -853.913 -12.975 75.787 1.00855.43 N ATOM 7373 N3 G B 399 -854.145 -10.680 75.835 1.00855.43 N ATOM 7374 C4 G B 399 -854.977 -9.686 75.468 1.00855.43 C ATOM 7375 P U B 400 -850.544 -4.891 73.702 1.00855.43 P ATOM 7376 O1P U B 400 -851.028 -5.687 72.548 1.00855.43 O ATOM 7377 O2P U B 400 -849.101 -4.564 73.817 1.00855.43 O ATOM 7378 O5* U B 400 -851.370 -3.529 73.758 1.00855.43 O ATOM 7379 C5* U B 400 -850.902 -2.363 73.077 1.00855.43 C ATOM 7380 C4* U B 400 -850.415 -1.335 74.075 1.00855.43 C ATOM 7381 O4* U B 400 -851.370 -1.214 75.159 1.00855.43 O ATOM 7382 C3* U B 400 -849.118 -1.677 74.758 1.00855.43 C ATOM 7383 O3* U B 400 -848.033 -1.246 73.954 1.00855.43 O ATOM 7384 C2* U B 400 -849.193 -0.906 76.070 1.00855.43 C ATOM 7385 O2* U B 400 -848.767 0.436 75.937 1.00855.43 O ATOM 7386 C1* U B 400 -850.688 -0.957 76.377 1.00855.43 C ATOM 7387 N1 U B 400 -851.037 -2.025 77.328 1.00855.43 N ATOM 7388 C2 U B 400 -852.117 -1.821 78.173 1.00855.43 C ATOM 7389 O2 U B 400 -852.793 -0.808 78.151 1.00855.43 O ATOM 7390 N3 U B 400 -852.376 -2.854 79.040 1.00855.43 N ATOM 7391 C4 U B 400 -851.684 -4.041 79.147 1.00855.43 C ATOM 7392 O4 U B 400 -852.024 -4.865 79.998 1.00855.43 O ATOM 7393 C5 U B 400 -850.589 -4.179 78.239 1.00855.43 C ATOM 7394 C6 U B 400 -850.308 -3.192 77.382 1.00855.43 C ATOM 7395 P G B 401 -846.952 -2.325 73.481 1.00855.43 P ATOM 7396 O1P G B 401 -846.936 -3.318 74.571 1.00855.43 O ATOM 7397 O2P G B 401 -845.708 -1.614 73.111 1.00855.43 O ATOM 7398 O5* G B 401 -847.566 -3.020 72.192 1.00855.43 O ATOM 7399 C5* G B 401 -847.247 -2.552 70.895 1.00855.43 C ATOM 7400 C4* G B 401 -848.306 -1.592 70.434 1.00855.43 C ATOM 7401 O4* G B 401 -848.882 -0.923 71.585 1.00855.43 O ATOM 7402 C3* G B 401 -847.815 -0.498 69.534 1.00855.43 C ATOM 7403 O3* G B 401 -847.814 -0.954 68.192 1.00855.43 O ATOM 7404 C2* G B 401 -848.816 0.627 69.779 1.00855.43 C ATOM 7405 O2* G B 401 -849.992 0.473 69.014 1.00855.43 O ATOM 7406 C1* G B 401 -849.148 0.429 71.263 1.00855.43 C ATOM 7407 N9 G B 401 -848.328 1.277 72.121 1.00855.43 N ATOM 7408 C8 G B 401 -846.975 1.501 72.022 1.00855.43 C ATOM 7409 N7 G B 401 -846.531 2.351 72.906 1.00855.43 N ATOM 7410 C5 G B 401 -847.654 2.701 73.641 1.00855.43 C ATOM 7411 C6 G B 401 -847.796 3.602 74.730 1.00855.43 C ATOM 7412 O6 G B 401 -846.932 4.296 75.275 1.00855.43 O ATOM 7413 N1 G B 401 -849.111 3.654 75.176 1.00855.43 N ATOM 7414 C2 G B 401 -850.156 2.938 74.648 1.00855.43 C ATOM 7415 N2 G B 401 -851.351 3.117 75.223 1.00855.43 N ATOM 7416 N3 G B 401 -850.037 2.103 73.627 1.00855.43 N ATOM 7417 C4 G B 401 -848.770 2.036 73.178 1.00855.43 C ATOM 7418 P A B 402 -847.098 -0.073 67.056 1.00855.43 P ATOM 7419 O1P A B 402 -847.243 -0.804 65.775 1.00855.43 O ATOM 7420 O2P A B 402 -845.745 0.304 67.539 1.00855.43 O ATOM 7421 O5* A B 402 -847.985 1.250 66.974 1.00855.43 O ATOM 7422 C5* A B 402 -847.389 2.536 67.116 1.00855.43 C ATOM 7423 C4* A B 402 -848.311 3.599 66.571 1.00855.43 C ATOM 7424 O4* A B 402 -848.648 3.288 65.200 1.00855.43 O ATOM 7425 C3* A B 402 -849.650 3.789 67.270 1.00855.43 C ATOM 7426 O3* A B 402 -849.520 4.657 68.395 1.00855.43 O ATOM 7427 C2* A B 402 -850.519 4.407 66.177 1.00855.43 C ATOM 7428 O2* A B 402 -850.366 5.808 66.086 1.00855.43 O ATOM 7429 C1* A B 402 -849.955 3.755 64.911 1.00855.43 C ATOM 7430 N9 A B 402 -850.743 2.635 64.398 1.00855.43 N ATOM 7431 C8 A B 402 -850.427 1.296 64.412 1.00855.43 C ATOM 7432 N7 A B 402 -851.335 0.535 63.853 1.00855.43 N ATOM 7433 C5 A B 402 -852.318 1.428 63.448 1.00855.43 C ATOM 7434 C6 A B 402 -853.549 1.248 62.789 1.00855.43 C ATOM 7435 N6 A B 402 -854.014 0.060 62.402 1.00855.43 N ATOM 7436 N1 A B 402 -854.293 2.347 62.540 1.00855.43 N ATOM 7437 C2 A B 402 -853.824 3.543 62.928 1.00855.43 C ATOM 7438 N3 A B 402 -852.685 3.838 63.552 1.00855.43 N ATOM 7439 C4 A B 402 -851.970 2.726 63.786 1.00855.43 C ATOM 7440 P A B 403 -849.886 4.120 69.864 1.00855.43 P ATOM 7441 O1P A B 403 -848.607 3.936 70.596 1.00855.43 O ATOM 7442 O2P A B 403 -850.821 2.975 69.724 1.00855.43 O ATOM 7443 O5* A B 403 -850.671 5.330 70.536 1.00855.43 O ATOM 7444 C5* A B 403 -850.171 6.667 70.471 1.00855.43 C ATOM 7445 C4* A B 403 -851.322 7.635 70.368 1.00855.43 C ATOM 7446 O4* A B 403 -852.093 7.337 69.184 1.00855.43 O ATOM 7447 C3* A B 403 -852.310 7.598 71.543 1.00855.43 C ATOM 7448 O3* A B 403 -851.951 8.498 72.590 1.00855.43 O ATOM 7449 C2* A B 403 -853.626 8.025 70.890 1.00855.43 C ATOM 7450 O2* A B 403 -853.783 9.429 70.855 1.00855.43 O ATOM 7451 C1* A B 403 -853.470 7.504 69.455 1.00855.43 C ATOM 7452 N9 A B 403 -854.151 6.252 69.132 1.00855.43 N ATOM 7453 C8 A B 403 -854.957 6.001 68.048 1.00855.43 C ATOM 7454 N7 A B 403 -855.481 4.799 68.046 1.00855.43 N ATOM 7455 C5 A B 403 -854.979 4.214 69.203 1.00855.43 C ATOM 7456 C6 A B 403 -855.166 2.945 69.776 1.00855.43 C ATOM 7457 N6 A B 403 -855.947 2.001 69.249 1.00855.43 N ATOM 7458 N1 A B 403 -854.515 2.677 70.930 1.00855.43 N ATOM 7459 C2 A B 403 -853.739 3.628 71.462 1.00855.43 C ATOM 7460 N3 A B 403 -853.489 4.861 71.019 1.00855.43 N ATOM 7461 C4 A B 403 -854.148 5.093 69.870 1.00855.43 C ATOM 7462 P A B 404 -852.449 8.239 74.095 1.00855.43 P ATOM 7463 O1P A B 404 -851.257 8.008 74.950 1.00855.43 O ATOM 7464 O2P A B 404 -853.534 7.223 74.065 1.00855.43 O ATOM 7465 O5* A B 404 -853.091 9.638 74.517 1.00855.43 O ATOM 7466 C5* A B 404 -852.356 10.852 74.368 1.00855.43 C ATOM 7467 C4* A B 404 -853.299 12.032 74.283 1.00855.43 C ATOM 7468 O4* A B 404 -854.346 11.739 73.327 1.00855.43 O ATOM 7469 C3* A B 404 -854.044 12.456 75.564 1.00855.43 C ATOM 7470 O3* A B 404 -853.308 13.305 76.443 1.00855.43 O ATOM 7471 C2* A B 404 -855.271 13.169 74.999 1.00855.43 C ATOM 7472 O2* A B 404 -855.004 14.515 74.653 1.00855.43 O ATOM 7473 C1* A B 404 -855.550 12.364 73.730 1.00855.43 C ATOM 7474 N9 A B 404 -856.574 11.332 73.880 1.00855.43 N ATOM 7475 C8 A B 404 -856.483 9.999 73.569 1.00855.43 C ATOM 7476 N7 A B 404 -857.581 9.325 73.806 1.00855.43 N ATOM 7477 C5 A B 404 -858.452 10.277 74.312 1.00855.43 C ATOM 7478 C6 A B 404 -859.784 10.201 74.758 1.00855.43 C ATOM 7479 N6 A B 404 -860.499 9.075 74.762 1.00855.43 N ATOM 7480 N1 A B 404 -860.364 11.335 75.206 1.00855.43 N ATOM 7481 C2 A B 404 -859.646 12.466 75.199 1.00855.43 C ATOM 7482 N3 A B 404 -858.391 12.664 74.807 1.00855.43 N ATOM 7483 C4 A B 404 -857.845 11.517 74.369 1.00855.43 C ATOM 7484 P C B 405 -853.816 13.543 77.950 1.00855.43 P ATOM 7485 O1P C B 405 -854.008 15.005 78.112 1.00855.43 O ATOM 7486 O2P C B 405 -852.911 12.813 78.872 1.00855.43 O ATOM 7487 O5* C B 405 -855.255 12.850 78.003 1.00855.43 O ATOM 7488 C5* C B 405 -856.446 13.637 78.027 1.00855.43 C ATOM 7489 C4* C B 405 -857.552 12.896 78.742 1.00855.43 C ATOM 7490 O4* C B 405 -858.028 11.826 77.874 1.00855.43 O ATOM 7491 C3* C B 405 -857.197 12.140 80.003 1.00855.43 C ATOM 7492 O3* C B 405 -857.146 12.994 81.137 1.00855.43 O ATOM 7493 C2* C B 405 -858.314 11.112 80.122 1.00855.43 C ATOM 7494 O2* C B 405 -859.478 11.641 80.727 1.00855.43 O ATOM 7495 C1* C B 405 -858.590 10.788 78.656 1.00855.43 C ATOM 7496 N1 C B 405 -857.943 9.525 78.269 1.00855.43 N ATOM 7497 C2 C B 405 -858.380 8.331 78.846 1.00855.43 C ATOM 7498 O2 C B 405 -859.328 8.362 79.644 1.00855.43 O ATOM 7499 N3 C B 405 -857.756 7.176 78.525 1.00855.43 N ATOM 7500 C4 C B 405 -856.738 7.184 77.662 1.00855.43 C ATOM 7501 N4 C B 405 -856.141 6.020 77.386 1.00855.43 N ATOM 7502 C5 C B 405 -856.284 8.385 77.045 1.00855.43 C ATOM 7503 C6 C B 405 -856.908 9.520 77.371 1.00855.43 C ATOM 7504 P G B 406 -856.345 12.528 82.450 1.00855.43 P ATOM 7505 O1P G B 406 -856.379 13.652 83.419 1.00855.43 O ATOM 7506 O2P G B 406 -855.037 11.975 82.019 1.00855.43 O ATOM 7507 O5* G B 406 -857.216 11.331 83.047 1.00855.43 O ATOM 7508 C5* G B 406 -858.532 11.564 83.540 1.00855.43 C ATOM 7509 C4* G B 406 -858.731 10.891 84.881 1.00855.43 C ATOM 7510 O4* G B 406 -859.116 9.506 84.677 1.00855.43 O ATOM 7511 C3* G B 406 -857.503 10.792 85.766 1.00855.43 C ATOM 7512 O3* G B 406 -857.288 11.989 86.508 1.00855.43 O ATOM 7513 C2* G B 406 -857.834 9.620 86.686 1.00855.43 C ATOM 7514 O2* G B 406 -858.624 10.008 87.791 1.00855.43 O ATOM 7515 C1* G B 406 -858.656 8.719 85.761 1.00855.43 C ATOM 7516 N9 G B 406 -857.880 7.603 85.232 1.00855.43 N ATOM 7517 C8 G B 406 -857.190 7.557 84.044 1.00855.43 C ATOM 7518 N7 G B 406 -856.579 6.421 83.852 1.00855.43 N ATOM 7519 C5 G B 406 -856.885 5.669 84.978 1.00855.43 C ATOM 7520 C6 G B 406 -856.504 4.349 85.339 1.00855.43 C ATOM 7521 O6 G B 406 -855.793 3.551 84.714 1.00855.43 O ATOM 7522 N1 G B 406 -857.038 3.978 86.570 1.00855.43 N ATOM 7523 C2 G B 406 -857.836 4.773 87.353 1.00855.43 C ATOM 7524 N2 G B 406 -858.254 4.237 88.509 1.00855.43 N ATOM 7525 N3 G B 406 -858.199 6.005 87.032 1.00855.43 N ATOM 7526 C4 G B 406 -857.691 6.386 85.839 1.00855.43 C ATOM 7527 P A B 407 -855.819 12.649 86.557 1.00855.43 P ATOM 7528 O1P A B 407 -855.985 14.092 86.852 1.00855.43 O ATOM 7529 O2P A B 407 -855.084 12.228 85.338 1.00855.43 O ATOM 7530 O5* A B 407 -855.120 11.963 87.810 1.00855.43 O ATOM 7531 C5* A B 407 -855.884 11.417 88.886 1.00855.43 C ATOM 7532 C4* A B 407 -855.300 10.083 89.298 1.00855.43 C ATOM 7533 O4* A B 407 -855.185 9.245 88.126 1.00855.43 O ATOM 7534 C3* A B 407 -853.900 10.128 89.887 1.00855.43 C ATOM 7535 O3* A B 407 -854.001 10.324 91.295 1.00855.43 O ATOM 7536 C2* A B 407 -853.335 8.752 89.551 1.00855.43 C ATOM 7537 O2* A B 407 -853.688 7.766 90.503 1.00855.43 O ATOM 7538 C1* A B 407 -854.026 8.444 88.219 1.00855.43 C ATOM 7539 N9 A B 407 -853.200 8.712 87.044 1.00855.43 N ATOM 7540 C8 A B 407 -853.262 9.802 86.207 1.00855.43 C ATOM 7541 N7 A B 407 -852.403 9.756 85.215 1.00855.43 N ATOM 7542 C5 A B 407 -851.727 8.562 85.419 1.00855.43 C ATOM 7543 C6 A B 407 -850.694 7.926 84.709 1.00855.43 C ATOM 7544 N6 A B 407 -850.135 8.422 83.607 1.00855.43 N ATOM 7545 N1 A B 407 -850.248 6.741 85.182 1.00855.43 N ATOM 7546 C2 A B 407 -850.807 6.236 86.286 1.00855.43 C ATOM 7547 N3 A B 407 -851.783 6.733 87.037 1.00855.43 N ATOM 7548 C4 A B 407 -852.206 7.911 86.544 1.00855.43 C ATOM 7549 P U B 408 -852.748 10.899 92.117 1.00855.43 P ATOM 7550 O1P U B 408 -853.277 11.380 93.418 1.00855.43 O ATOM 7551 O2P U B 408 -851.972 11.820 91.250 1.00855.43 O ATOM 7552 O5* U B 408 -851.870 9.597 92.395 1.00855.43 O ATOM 7553 C5* U B 408 -850.473 9.693 92.649 1.00855.43 C ATOM 7554 C4* U B 408 -849.800 8.355 92.420 1.00855.43 C ATOM 7555 O4* U B 408 -850.167 7.835 91.109 1.00855.43 O ATOM 7556 C3* U B 408 -848.296 8.390 92.385 1.00855.43 C ATOM 7557 O3* U B 408 -847.763 8.334 93.704 1.00855.43 O ATOM 7558 C2* U B 408 -847.937 7.160 91.560 1.00855.43 C ATOM 7559 O2* U B 408 -847.975 5.986 92.345 1.00855.43 O ATOM 7560 C1* U B 408 -849.067 7.138 90.525 1.00855.43 C ATOM 7561 N1 U B 408 -848.720 7.834 89.270 1.00855.43 N ATOM 7562 C2 U B 408 -848.093 7.146 88.204 1.00855.43 C ATOM 7563 O2 U B 408 -847.760 5.991 88.220 1.00855.43 O ATOM 7564 N3 U B 408 -847.852 7.903 87.089 1.00855.43 N ATOM 7565 C4 U B 408 -848.131 9.223 86.913 1.00855.43 C ATOM 7566 O4 U B 408 -847.851 9.751 85.837 1.00855.43 O ATOM 7567 C5 U B 408 -848.745 9.864 88.035 1.00855.43 C ATOM 7568 C6 U B 408 -849.012 9.166 89.139 1.00855.43 C ATOM 7569 P G B 409 -846.216 8.687 93.939 1.00855.43 P ATOM 7570 O1P G B 409 -845.963 8.737 95.401 1.00855.43 O ATOM 7571 O2P G B 409 -845.865 9.860 93.094 1.00855.43 O ATOM 7572 O5* G B 409 -845.458 7.420 93.345 1.00855.43 O ATOM 7573 C5* G B 409 -844.664 6.581 94.175 1.00855.43 C ATOM 7574 C4* G B 409 -843.356 6.294 93.491 1.00855.43 C ATOM 7575 O4* G B 409 -843.613 5.657 92.214 1.00855.43 O ATOM 7576 C3* G B 409 -842.534 7.533 93.159 1.00855.43 C ATOM 7577 O3* G B 409 -841.729 7.937 94.260 1.00855.43 O ATOM 7578 C2* G B 409 -841.732 7.097 91.940 1.00855.43 C ATOM 7579 O2* G B 409 -840.567 6.378 92.280 1.00855.43 O ATOM 7580 C1* G B 409 -842.727 6.168 91.234 1.00855.43 C ATOM 7581 N9 G B 409 -843.527 6.858 90.228 1.00855.43 N ATOM 7582 C8 G B 409 -844.625 7.654 90.447 1.00855.43 C ATOM 7583 N7 G B 409 -845.133 8.142 89.349 1.00855.43 N ATOM 7584 C5 G B 409 -844.323 7.636 88.342 1.00855.43 C ATOM 7585 C6 G B 409 -844.379 7.819 86.936 1.00855.43 C ATOM 7586 O6 G B 409 -845.186 8.485 86.278 1.00855.43 O ATOM 7587 N1 G B 409 -843.365 7.120 86.292 1.00855.43 N ATOM 7588 C2 G B 409 -842.416 6.347 86.914 1.00855.43 C ATOM 7589 N2 G B 409 -841.518 5.751 86.114 1.00855.43 N ATOM 7590 N3 G B 409 -842.350 6.174 88.221 1.00855.43 N ATOM 7591 C4 G B 409 -843.327 6.842 88.868 1.00855.43 C ATOM 7592 P A B 410 -841.857 9.433 94.826 1.00855.43 P ATOM 7593 O1P A B 410 -841.460 9.413 96.255 1.00855.43 O ATOM 7594 O2P A B 410 -843.187 9.969 94.440 1.00855.43 O ATOM 7595 O5* A B 410 -840.747 10.235 94.011 1.00855.43 O ATOM 7596 C5* A B 410 -839.367 10.111 94.341 1.00855.43 C ATOM 7597 C4* A B 410 -838.526 10.710 93.246 1.00855.43 C ATOM 7598 O4* A B 410 -838.932 10.165 91.965 1.00855.43 O ATOM 7599 C3* A B 410 -838.604 12.205 93.040 1.00855.43 C ATOM 7600 O3* A B 410 -837.781 12.872 93.986 1.00855.43 O ATOM 7601 C2* A B 410 -838.142 12.378 91.600 1.00855.43 C ATOM 7602 O2* A B 410 -836.734 12.393 91.476 1.00855.43 O ATOM 7603 C1* A B 410 -838.716 11.124 90.941 1.00855.43 C ATOM 7604 N9 A B 410 -840.004 11.376 90.292 1.00855.43 N ATOM 7605 C8 A B 410 -841.240 11.391 90.889 1.00855.43 C ATOM 7606 N7 A B 410 -842.222 11.655 90.063 1.00855.43 N ATOM 7607 C5 A B 410 -841.592 11.829 88.840 1.00855.43 C ATOM 7608 C6 A B 410 -842.082 12.132 87.554 1.00855.43 C ATOM 7609 N6 A B 410 -843.375 12.323 87.284 1.00855.43 N ATOM 7610 N1 A B 410 -841.187 12.234 86.549 1.00855.43 N ATOM 7611 C2 A B 410 -839.890 12.044 86.823 1.00855.43 C ATOM 7612 N3 A B 410 -839.307 11.753 87.985 1.00855.43 N ATOM 7613 C4 A B 410 -840.225 11.661 88.965 1.00855.43 C ATOM 7614 P C B 411 -837.804 14.475 94.041 1.00855.43 P ATOM 7615 O1P C B 411 -836.912 14.918 95.140 1.00855.43 O ATOM 7616 O2P C B 411 -839.220 14.924 94.016 1.00855.43 O ATOM 7617 O5* C B 411 -837.132 14.877 92.662 1.00855.43 O ATOM 7618 C5* C B 411 -837.455 16.090 91.999 1.00855.43 C ATOM 7619 C4* C B 411 -837.288 15.901 90.513 1.00855.43 C ATOM 7620 O4* C B 411 -838.150 14.817 90.089 1.00855.43 O ATOM 7621 C3* C B 411 -837.695 17.091 89.653 1.00855.43 C ATOM 7622 O3* C B 411 -836.651 18.047 89.502 1.00855.43 O ATOM 7623 C2* C B 411 -838.069 16.424 88.331 1.00855.43 C ATOM 7624 O2* C B 411 -836.942 16.153 87.525 1.00855.43 O ATOM 7625 C1* C B 411 -838.676 15.100 88.808 1.00855.43 C ATOM 7626 N1 C B 411 -840.142 15.119 88.924 1.00855.43 N ATOM 7627 C2 C B 411 -840.911 15.269 87.769 1.00855.43 C ATOM 7628 O2 C B 411 -840.338 15.391 86.676 1.00855.43 O ATOM 7629 N3 C B 411 -842.261 15.277 87.871 1.00855.43 N ATOM 7630 C4 C B 411 -842.843 15.143 89.066 1.00855.43 C ATOM 7631 N4 C B 411 -844.175 15.156 89.119 1.00855.43 N ATOM 7632 C5 C B 411 -842.081 14.993 90.260 1.00855.43 C ATOM 7633 C6 C B 411 -840.748 14.987 90.145 1.00855.43 C ATOM 7634 P U B 412 -836.985 19.613 89.631 1.00855.43 P ATOM 7635 O1P U B 412 -835.892 20.360 88.959 1.00855.43 O ATOM 7636 O2P U B 412 -837.312 19.903 91.048 1.00855.43 O ATOM 7637 O5* U B 412 -838.311 19.785 88.767 1.00855.43 O ATOM 7638 C5* U B 412 -839.314 20.724 89.135 1.00855.43 C ATOM 7639 C4* U B 412 -839.965 21.296 87.901 1.00855.43 C ATOM 7640 O4* U B 412 -840.424 20.206 87.058 1.00855.43 O ATOM 7641 C3* U B 412 -841.203 22.148 88.129 1.00855.43 C ATOM 7642 O3* U B 412 -840.894 23.503 88.435 1.00855.43 O ATOM 7643 C2* U B 412 -841.941 22.023 86.799 1.00855.43 C ATOM 7644 O2* U B 412 -841.447 22.910 85.817 1.00855.43 O ATOM 7645 C1* U B 412 -841.615 20.586 86.392 1.00855.43 C ATOM 7646 N1 U B 412 -842.672 19.632 86.763 1.00855.43 N ATOM 7647 C2 U B 412 -843.419 19.080 85.744 1.00855.43 C ATOM 7648 O2 U B 412 -843.228 19.346 84.569 1.00855.43 O ATOM 7649 N3 U B 412 -844.399 18.210 86.148 1.00855.43 N ATOM 7650 C4 U B 412 -844.700 17.842 87.442 1.00855.43 C ATOM 7651 O4 U B 412 -845.617 17.045 87.649 1.00855.43 O ATOM 7652 C5 U B 412 -843.879 18.452 88.443 1.00855.43 C ATOM 7653 C6 U B 412 -842.917 19.305 88.079 1.00855.43 C ATOM 7654 P G B 413 -841.276 24.100 89.880 1.00855.43 P ATOM 7655 O1P G B 413 -840.828 25.513 89.906 1.00855.43 O ATOM 7656 O2P G B 413 -840.789 23.155 90.919 1.00855.43 O ATOM 7657 O5* G B 413 -842.870 24.090 89.904 1.00855.43 O ATOM 7658 C5* G B 413 -843.614 24.332 88.715 1.00855.43 C ATOM 7659 C4* G B 413 -845.007 24.805 89.055 1.00855.43 C ATOM 7660 O4* G B 413 -845.596 23.869 89.989 1.00855.43 O ATOM 7661 C3* G B 413 -845.171 26.117 89.822 1.00855.43 C ATOM 7662 O3* G B 413 -845.166 27.195 88.894 1.00855.43 O ATOM 7663 C2* G B 413 -846.525 26.005 90.504 1.00855.43 C ATOM 7664 O2* G B 413 -847.581 26.507 89.715 1.00855.43 O ATOM 7665 C1* G B 413 -846.670 24.493 90.658 1.00855.43 C ATOM 7666 N9 G B 413 -846.658 24.116 92.064 1.00855.43 N ATOM 7667 C8 G B 413 -845.651 24.232 92.992 1.00855.43 C ATOM 7668 N7 G B 413 -846.003 23.816 94.180 1.00855.43 N ATOM 7669 C5 G B 413 -847.319 23.402 94.014 1.00855.43 C ATOM 7670 C6 G B 413 -848.240 22.853 94.942 1.00855.43 C ATOM 7671 O6 G B 413 -848.069 22.616 96.148 1.00855.43 O ATOM 7672 N1 G B 413 -849.470 22.575 94.334 1.00855.43 N ATOM 7673 C2 G B 413 -849.771 22.806 92.998 1.00855.43 C ATOM 7674 N2 G B 413 -851.006 22.495 92.553 1.00855.43 N ATOM 7675 N3 G B 413 -848.920 23.315 92.137 1.00855.43 N ATOM 7676 C4 G B 413 -847.726 23.582 92.707 1.00855.43 C ATOM 7677 P A B 414 -843.878 28.149 88.788 1.00855.43 P ATOM 7678 O1P A B 414 -842.681 27.271 88.868 1.00855.43 O ATOM 7679 O2P A B 414 -844.037 29.264 89.759 1.00855.43 O ATOM 7680 O5* A B 414 -843.954 28.758 87.317 1.00855.43 O ATOM 7681 C5* A B 414 -845.185 29.243 86.785 1.00855.43 C ATOM 7682 C4* A B 414 -845.333 28.833 85.338 1.00855.43 C ATOM 7683 O4* A B 414 -845.596 27.407 85.265 1.00855.43 O ATOM 7684 C3* A B 414 -846.505 29.443 84.599 1.00855.43 C ATOM 7685 O3* A B 414 -846.177 30.739 84.110 1.00855.43 O ATOM 7686 C2* A B 414 -846.744 28.456 83.459 1.00855.43 C ATOM 7687 O2* A B 414 -845.894 28.691 82.354 1.00855.43 O ATOM 7688 C1* A B 414 -846.377 27.123 84.118 1.00855.43 C ATOM 7689 N9 A B 414 -847.555 26.371 84.543 1.00855.43 N ATOM 7690 C8 A B 414 -848.329 26.585 85.656 1.00855.43 C ATOM 7691 N7 A B 414 -849.335 25.750 85.770 1.00855.43 N ATOM 7692 C5 A B 414 -849.212 24.929 84.657 1.00855.43 C ATOM 7693 C6 A B 414 -849.973 23.841 84.198 1.00855.43 C ATOM 7694 N6 A B 414 -851.053 23.373 84.827 1.00855.43 N ATOM 7695 N1 A B 414 -849.581 23.240 83.052 1.00855.43 N ATOM 7696 C2 A B 414 -848.499 23.709 82.420 1.00855.43 C ATOM 7697 N3 A B 414 -847.703 24.723 82.752 1.00855.43 N ATOM 7698 C4 A B 414 -848.117 25.298 83.893 1.00855.43 C ATOM 7699 P A B 415 -847.144 31.984 84.441 1.00855.43 P ATOM 7700 O1P A B 415 -846.332 33.220 84.309 1.00855.43 O ATOM 7701 O2P A B 415 -847.840 31.700 85.722 1.00855.43 O ATOM 7702 O5* A B 415 -848.227 31.976 83.270 1.00855.43 O ATOM 7703 C5* A B 415 -847.885 31.528 81.958 1.00855.43 C ATOM 7704 C4* A B 415 -849.029 30.740 81.351 1.00855.43 C ATOM 7705 O4* A B 415 -849.344 29.623 82.221 1.00855.43 O ATOM 7706 C3* A B 415 -850.339 31.505 81.218 1.00855.43 C ATOM 7707 O3* A B 415 -850.424 32.251 80.006 1.00855.43 O ATOM 7708 C2* A B 415 -851.379 30.393 81.255 1.00855.43 C ATOM 7709 O2* A B 415 -851.549 29.765 79.998 1.00855.43 O ATOM 7710 C1* A B 415 -850.742 29.405 82.233 1.00855.43 C ATOM 7711 N9 A B 415 -851.228 29.599 83.599 1.00855.43 N ATOM 7712 C8 A B 415 -850.704 30.409 84.579 1.00855.43 C ATOM 7713 N7 A B 415 -851.384 30.388 85.697 1.00855.43 N ATOM 7714 C5 A B 415 -852.420 29.501 85.442 1.00855.43 C ATOM 7715 C6 A B 415 -853.493 29.049 86.232 1.00855.43 C ATOM 7716 N6 A B 415 -853.708 29.445 87.487 1.00855.43 N ATOM 7717 N1 A B 415 -854.349 28.162 85.676 1.00855.43 N ATOM 7718 C2 A B 415 -854.133 27.768 84.415 1.00855.43 C ATOM 7719 N3 A B 415 -853.166 28.126 83.574 1.00855.43 N ATOM 7720 C4 A B 415 -852.334 29.003 84.157 1.00855.43 C ATOM 7721 P U B 416 -850.792 33.820 80.054 1.00855.43 P ATOM 7722 O1P U B 416 -851.598 34.122 78.845 1.00855.43 O ATOM 7723 O2P U B 416 -849.537 34.575 80.307 1.00855.43 O ATOM 7724 O5* U B 416 -851.730 33.979 81.333 1.00855.43 O ATOM 7725 C5* U B 416 -853.068 33.479 81.343 1.00855.43 C ATOM 7726 C4* U B 416 -853.637 33.542 82.745 1.00855.43 C ATOM 7727 O4* U B 416 -852.717 32.857 83.633 1.00855.43 O ATOM 7728 C3* U B 416 -853.794 34.937 83.368 1.00855.43 C ATOM 7729 O3* U B 416 -855.033 35.579 83.084 1.00855.43 O ATOM 7730 C2* U B 416 -853.716 34.643 84.860 1.00855.43 C ATOM 7731 O2* U B 416 -854.955 34.238 85.400 1.00855.43 O ATOM 7732 C1* U B 416 -852.737 33.468 84.909 1.00855.43 C ATOM 7733 N1 U B 416 -851.360 33.847 85.252 1.00855.43 N ATOM 7734 C2 U B 416 -850.857 33.411 86.462 1.00855.43 C ATOM 7735 O2 U B 416 -851.509 32.747 87.249 1.00855.43 O ATOM 7736 N3 U B 416 -849.561 33.787 86.716 1.00855.43 N ATOM 7737 C4 U B 416 -848.735 34.538 85.901 1.00855.43 C ATOM 7738 O4 U B 416 -847.584 34.773 86.261 1.00855.43 O ATOM 7739 C5 U B 416 -849.337 34.955 84.671 1.00855.43 C ATOM 7740 C6 U B 416 -850.596 34.604 84.395 1.00855.43 C ATOM 7741 P C B 417 -855.152 37.180 83.174 1.00855.43 P ATOM 7742 O1P C B 417 -853.784 37.740 83.299 1.00855.43 O ATOM 7743 O2P C B 417 -856.181 37.522 84.186 1.00855.43 O ATOM 7744 O5* C B 417 -855.720 37.566 81.740 1.00855.43 O ATOM 7745 C5* C B 417 -855.274 36.876 80.579 1.00855.43 C ATOM 7746 C4* C B 417 -856.453 36.423 79.749 1.00855.43 C ATOM 7747 O4* C B 417 -857.190 35.380 80.435 1.00855.43 O ATOM 7748 C3* C B 417 -857.469 37.511 79.484 1.00855.43 C ATOM 7749 O3* C B 417 -857.078 38.273 78.350 1.00855.43 O ATOM 7750 C2* C B 417 -858.755 36.726 79.231 1.00855.43 C ATOM 7751 O2* C B 417 -858.873 36.294 77.889 1.00855.43 O ATOM 7752 C1* C B 417 -858.571 35.507 80.139 1.00855.43 C ATOM 7753 N1 C B 417 -859.323 35.582 81.402 1.00855.43 N ATOM 7754 C2 C B 417 -859.074 34.620 82.387 1.00855.43 C ATOM 7755 O2 C B 417 -858.234 33.735 82.166 1.00855.43 O ATOM 7756 N3 C B 417 -859.755 34.678 83.556 1.00855.43 N ATOM 7757 C4 C B 417 -860.651 35.647 83.757 1.00855.43 C ATOM 7758 N4 C B 417 -861.296 35.666 84.925 1.00855.43 N ATOM 7759 C5 C B 417 -860.926 36.637 82.767 1.00855.43 C ATOM 7760 C6 C B 417 -860.246 36.569 81.617 1.00855.43 C ATOM 7761 P C B 418 -857.899 39.593 77.958 1.00855.43 P ATOM 7762 O1P C B 418 -856.911 40.682 77.743 1.00855.43 O ATOM 7763 O2P C B 418 -859.003 39.782 78.936 1.00855.43 O ATOM 7764 O5* C B 418 -858.534 39.204 76.554 1.00855.43 O ATOM 7765 C5* C B 418 -857.754 38.509 75.584 1.00855.43 C ATOM 7766 C4* C B 418 -858.470 37.260 75.143 1.00855.43 C ATOM 7767 O4* C B 418 -859.723 37.635 74.532 1.00855.43 O ATOM 7768 C3* C B 418 -857.777 36.403 74.091 1.00855.43 C ATOM 7769 O3* C B 418 -856.834 35.519 74.698 1.00855.43 O ATOM 7770 C2* C B 418 -858.940 35.667 73.434 1.00855.43 C ATOM 7771 O2* C B 418 -859.316 34.502 74.140 1.00855.43 O ATOM 7772 C1* C B 418 -860.072 36.698 73.538 1.00855.43 C ATOM 7773 N1 C B 418 -860.352 37.458 72.313 1.00855.43 N ATOM 7774 C2 C B 418 -861.518 37.183 71.597 1.00855.43 C ATOM 7775 O2 C B 418 -862.257 36.266 71.979 1.00855.43 O ATOM 7776 N3 C B 418 -861.809 37.923 70.503 1.00855.43 N ATOM 7777 C4 C B 418 -860.982 38.898 70.121 1.00855.43 C ATOM 7778 N4 C B 418 -861.318 39.617 69.062 1.00855.43 N ATOM 7779 C5 C B 418 -859.773 39.179 70.817 1.00855.43 C ATOM 7780 C6 C B 418 -859.499 38.441 71.897 1.00855.43 C ATOM 7781 P G B 419 -855.616 34.920 73.836 1.00855.43 P ATOM 7782 O1P G B 419 -854.626 36.010 73.637 1.00855.43 O ATOM 7783 O2P G B 419 -856.195 34.233 72.656 1.00855.43 O ATOM 7784 O5* G B 419 -854.969 33.812 74.783 1.00855.43 O ATOM 7785 C5* G B 419 -853.639 33.957 75.284 1.00855.43 C ATOM 7786 C4* G B 419 -853.521 33.358 76.668 1.00855.43 C ATOM 7787 O4* G B 419 -854.430 34.046 77.564 1.00855.43 O ATOM 7788 C3* G B 419 -853.895 31.878 76.762 1.00855.43 C ATOM 7789 O3* G B 419 -852.798 31.009 76.495 1.00855.43 O ATOM 7790 C2* G B 419 -854.386 31.749 78.200 1.00855.43 C ATOM 7791 O2* G B 419 -853.324 31.567 79.118 1.00855.43 O ATOM 7792 C1* G B 419 -855.032 33.113 78.442 1.00855.43 C ATOM 7793 N9 G B 419 -856.468 33.143 78.196 1.00855.43 N ATOM 7794 C8 G B 419 -857.119 33.826 77.197 1.00855.43 C ATOM 7795 N7 G B 419 -858.412 33.675 77.225 1.00855.43 N ATOM 7796 C5 G B 419 -858.636 32.840 78.310 1.00855.43 C ATOM 7797 C6 G B 419 -859.851 32.328 78.836 1.00855.43 C ATOM 7798 O6 G B 419 -861.005 32.517 78.439 1.00855.43 O ATOM 7799 N1 G B 419 -859.624 31.516 79.944 1.00855.43 N ATOM 7800 C2 G B 419 -858.392 31.231 80.477 1.00855.43 C ATOM 7801 N2 G B 419 -858.388 30.419 81.546 1.00855.43 N ATOM 7802 N3 G B 419 -857.250 31.705 79.997 1.00855.43 N ATOM 7803 C4 G B 419 -857.447 32.498 78.921 1.00855.43 C ATOM 7804 P C B 420 -853.064 29.537 75.898 1.00855.43 P ATOM 7805 O1P C B 420 -851.752 28.841 75.841 1.00855.43 O ATOM 7806 O2P C B 420 -853.878 29.668 74.663 1.00855.43 O ATOM 7807 O5* C B 420 -853.955 28.813 77.002 1.00855.43 O ATOM 7808 C5* C B 420 -853.369 28.280 78.189 1.00855.43 C ATOM 7809 C4* C B 420 -854.448 27.915 79.183 1.00855.43 C ATOM 7810 O4* C B 420 -855.448 28.967 79.188 1.00855.43 O ATOM 7811 C3* C B 420 -855.246 26.646 78.941 1.00855.43 C ATOM 7812 O3* C B 420 -854.561 25.508 79.459 1.00855.43 O ATOM 7813 C2* C B 420 -856.550 26.915 79.685 1.00855.43 C ATOM 7814 O2* C B 420 -856.450 26.644 81.070 1.00855.43 O ATOM 7815 C1* C B 420 -856.725 28.422 79.470 1.00855.43 C ATOM 7816 N1 C B 420 -857.606 28.742 78.336 1.00855.43 N ATOM 7817 C2 C B 420 -858.934 28.303 78.353 1.00855.43 C ATOM 7818 O2 C B 420 -859.340 27.652 79.328 1.00855.43 O ATOM 7819 N3 C B 420 -859.742 28.599 77.310 1.00855.43 N ATOM 7820 C4 C B 420 -859.268 29.300 76.277 1.00855.43 C ATOM 7821 N4 C B 420 -860.101 29.572 75.271 1.00855.43 N ATOM 7822 C5 C B 420 -857.920 29.754 76.233 1.00855.43 C ATOM 7823 C6 C B 420 -857.133 29.458 77.271 1.00855.43 C ATOM 7824 P G B 421 -854.812 24.062 78.805 1.00855.43 P ATOM 7825 O1P G B 421 -853.686 23.187 79.219 1.00855.43 O ATOM 7826 O2P G B 421 -855.104 24.242 77.362 1.00855.43 O ATOM 7827 O5* G B 421 -856.133 23.534 79.524 1.00855.43 O ATOM 7828 C5* G B 421 -856.121 22.311 80.252 1.00855.43 C ATOM 7829 C4* G B 421 -857.261 21.423 79.817 1.00855.43 C ATOM 7830 O4* G B 421 -858.458 22.216 79.619 1.00855.43 O ATOM 7831 C3* G B 421 -857.055 20.667 78.515 1.00855.43 C ATOM 7832 O3* G B 421 -856.364 19.447 78.756 1.00855.43 O ATOM 7833 C2* G B 421 -858.484 20.435 78.032 1.00855.43 C ATOM 7834 O2* G B 421 -859.084 19.307 78.636 1.00855.43 O ATOM 7835 C1* G B 421 -859.196 21.698 78.525 1.00855.43 C ATOM 7836 N9 G B 421 -859.300 22.731 77.498 1.00855.43 N ATOM 7837 C8 G B 421 -858.421 23.758 77.252 1.00855.43 C ATOM 7838 N7 G B 421 -858.788 24.517 76.255 1.00855.43 N ATOM 7839 C5 G B 421 -859.984 23.960 75.819 1.00855.43 C ATOM 7840 C6 G B 421 -860.856 24.355 74.766 1.00855.43 C ATOM 7841 O6 G B 421 -860.740 25.302 73.980 1.00855.43 O ATOM 7842 N1 G B 421 -861.955 23.511 74.675 1.00855.43 N ATOM 7843 C2 G B 421 -862.193 22.429 75.486 1.00855.43 C ATOM 7844 N2 G B 421 -863.312 21.737 75.236 1.00855.43 N ATOM 7845 N3 G B 421 -861.391 22.053 76.466 1.00855.43 N ATOM 7846 C4 G B 421 -860.313 22.858 76.577 1.00855.43 C ATOM 7847 P C B 422 -855.460 18.805 77.592 1.00855.43 P ATOM 7848 O1P C B 422 -854.189 18.355 78.211 1.00855.43 O ATOM 7849 O2P C B 422 -855.426 19.747 76.446 1.00855.43 O ATOM 7850 O5* C B 422 -856.277 17.511 77.146 1.00855.43 O ATOM 7851 C5* C B 422 -856.330 17.119 75.779 1.00855.43 C ATOM 7852 C4* C B 422 -857.762 16.938 75.347 1.00855.43 C ATOM 7853 O4* C B 422 -858.545 18.092 75.743 1.00855.43 O ATOM 7854 C3* C B 422 -858.013 16.802 73.860 1.00855.43 C ATOM 7855 O3* C B 422 -857.784 15.482 73.395 1.00855.43 O ATOM 7856 C2* C B 422 -859.467 17.241 73.725 1.00855.43 C ATOM 7857 O2* C B 422 -860.381 16.208 74.033 1.00855.43 O ATOM 7858 C1* C B 422 -859.552 18.344 74.779 1.00855.43 C ATOM 7859 N1 C B 422 -859.304 19.670 74.187 1.00855.43 N ATOM 7860 C2 C B 422 -860.371 20.366 73.604 1.00855.43 C ATOM 7861 O2 C B 422 -861.504 19.859 73.629 1.00855.43 O ATOM 7862 N3 C B 422 -860.140 21.571 73.033 1.00855.43 N ATOM 7863 C4 C B 422 -858.907 22.083 73.033 1.00855.43 C ATOM 7864 N4 C B 422 -858.725 23.270 72.446 1.00855.43 N ATOM 7865 C5 C B 422 -857.807 21.401 73.629 1.00855.43 C ATOM 7866 C6 C B 422 -858.049 20.210 74.191 1.00855.43 C ATOM 7867 P G B 423 -857.644 15.217 71.818 1.00855.43 P ATOM 7868 O1P G B 423 -857.077 13.858 71.634 1.00855.43 O ATOM 7869 O2P G B 423 -856.958 16.389 71.212 1.00855.43 O ATOM 7870 O5* G B 423 -859.154 15.205 71.311 1.00855.43 O ATOM 7871 C5* G B 423 -859.778 13.980 70.953 1.00855.43 C ATOM 7872 C4* G B 423 -860.908 14.223 69.981 1.00855.43 C ATOM 7873 O4* G B 423 -861.810 15.237 70.501 1.00855.43 O ATOM 7874 C3* G B 423 -860.480 14.718 68.607 1.00855.43 C ATOM 7875 O3* G B 423 -860.196 13.621 67.752 1.00855.43 O ATOM 7876 C2* G B 423 -861.684 15.524 68.140 1.00855.43 C ATOM 7877 O2* G B 423 -862.697 14.712 67.577 1.00855.43 O ATOM 7878 C1* G B 423 -862.176 16.127 69.455 1.00855.43 C ATOM 7879 N9 G B 423 -861.542 17.420 69.690 1.00855.43 N ATOM 7880 C8 G B 423 -860.521 17.719 70.559 1.00855.43 C ATOM 7881 N7 G B 423 -860.152 18.968 70.504 1.00855.43 N ATOM 7882 C5 G B 423 -860.986 19.531 69.545 1.00855.43 C ATOM 7883 C6 G B 423 -861.058 20.862 69.044 1.00855.43 C ATOM 7884 O6 G B 423 -860.373 21.840 69.357 1.00855.43 O ATOM 7885 N1 G B 423 -862.051 20.988 68.078 1.00855.43 N ATOM 7886 C2 G B 423 -862.868 19.975 67.647 1.00855.43 C ATOM 7887 N2 G B 423 -863.768 20.296 66.707 1.00855.43 N ATOM 7888 N3 G B 423 -862.812 18.737 68.102 1.00855.43 N ATOM 7889 C4 G B 423 -861.854 18.586 69.041 1.00855.43 C ATOM 7890 P G B 424 -859.100 13.798 66.588 1.00855.43 P ATOM 7891 O1P G B 424 -857.872 14.325 67.232 1.00855.43 O ATOM 7892 O2P G B 424 -859.718 14.549 65.467 1.00855.43 O ATOM 7893 O5* G B 424 -858.797 12.315 66.102 1.00855.43 O ATOM 7894 C5* G B 424 -857.833 11.517 66.782 1.00855.43 C ATOM 7895 C4* G B 424 -858.139 11.491 68.263 1.00855.43 C ATOM 7896 O4* G B 424 -859.264 10.615 68.518 1.00855.43 O ATOM 7897 C3* G B 424 -857.038 10.966 69.167 1.00855.43 C ATOM 7898 O3* G B 424 -856.111 12.007 69.474 1.00855.43 O ATOM 7899 C2* G B 424 -857.806 10.510 70.402 1.00855.43 C ATOM 7900 O2* G B 424 -858.074 11.576 71.286 1.00855.43 O ATOM 7901 C1* G B 424 -859.125 10.017 69.792 1.00855.43 C ATOM 7902 N9 G B 424 -859.187 8.569 69.630 1.00855.43 N ATOM 7903 C8 G B 424 -859.312 7.875 68.451 1.00855.43 C ATOM 7904 N7 G B 424 -859.340 6.581 68.620 1.00855.43 N ATOM 7905 C5 G B 424 -859.228 6.409 69.990 1.00855.43 C ATOM 7906 C6 G B 424 -859.197 5.226 70.772 1.00855.43 C ATOM 7907 O6 G B 424 -859.261 4.049 70.391 1.00855.43 O ATOM 7908 N1 G B 424 -859.077 5.509 72.129 1.00855.43 N ATOM 7909 C2 G B 424 -858.995 6.769 72.665 1.00855.43 C ATOM 7910 N2 G B 424 -858.889 6.834 74.001 1.00855.43 N ATOM 7911 N3 G B 424 -859.020 7.882 71.952 1.00855.43 N ATOM 7912 C4 G B 424 -859.137 7.629 70.631 1.00855.43 C ATOM 7913 P A B 425 -854.843 12.259 68.515 1.00855.43 P ATOM 7914 O1P A B 425 -855.310 13.092 67.375 1.00855.43 O ATOM 7915 O2P A B 425 -854.194 10.952 68.249 1.00855.43 O ATOM 7916 O5* A B 425 -853.856 13.138 69.402 1.00855.43 O ATOM 7917 C5* A B 425 -853.227 12.582 70.555 1.00855.43 C ATOM 7918 C4* A B 425 -851.737 12.429 70.338 1.00855.43 C ATOM 7919 O4* A B 425 -851.468 11.348 69.407 1.00855.43 O ATOM 7920 C3* A B 425 -851.021 13.649 69.757 1.00855.43 C ATOM 7921 O3* A B 425 -850.654 14.608 70.744 1.00855.43 O ATOM 7922 C2* A B 425 -849.787 13.020 69.114 1.00855.43 C ATOM 7923 O2* A B 425 -848.742 12.807 70.041 1.00855.43 O ATOM 7924 C1* A B 425 -850.324 11.671 68.634 1.00855.43 C ATOM 7925 N9 A B 425 -850.689 11.675 67.219 1.00855.43 N ATOM 7926 C8 A B 425 -851.814 12.187 66.624 1.00855.43 C ATOM 7927 N7 A B 425 -851.828 12.059 65.319 1.00855.43 N ATOM 7928 C5 A B 425 -850.632 11.413 65.036 1.00855.43 C ATOM 7929 C6 A B 425 -850.047 10.990 63.829 1.00855.43 C ATOM 7930 N6 A B 425 -850.607 11.165 62.632 1.00855.43 N ATOM 7931 N1 A B 425 -848.845 10.374 63.894 1.00855.43 N ATOM 7932 C2 A B 425 -848.278 10.204 65.095 1.00855.43 C ATOM 7933 N3 A B 425 -848.730 10.557 66.296 1.00855.43 N ATOM 7934 C4 A B 425 -849.924 11.166 66.196 1.00855.43 C ATOM 7935 P C B 426 -851.133 16.137 70.587 1.00855.43 P ATOM 7936 O1P C B 426 -850.470 16.923 71.657 1.00855.43 O ATOM 7937 O2P C B 426 -852.614 16.150 70.477 1.00855.43 O ATOM 7938 O5* C B 426 -850.528 16.600 69.186 1.00855.43 O ATOM 7939 C5* C B 426 -849.163 16.994 69.066 1.00855.43 C ATOM 7940 C4* C B 426 -848.852 17.345 67.630 1.00855.43 C ATOM 7941 O4* C B 426 -849.220 16.221 66.788 1.00855.43 O ATOM 7942 C3* C B 426 -849.573 18.498 66.958 1.00855.43 C ATOM 7943 O3* C B 426 -848.996 19.744 67.326 1.00855.43 O ATOM 7944 C2* C B 426 -849.405 18.195 65.475 1.00855.43 C ATOM 7945 O2* C B 426 -848.156 18.623 64.971 1.00855.43 O ATOM 7946 C1* C B 426 -849.470 16.666 65.465 1.00855.43 C ATOM 7947 N1 C B 426 -850.805 16.184 65.081 1.00855.43 N ATOM 7948 C2 C B 426 -851.107 16.039 63.728 1.00855.43 C ATOM 7949 O2 C B 426 -850.234 16.302 62.889 1.00855.43 O ATOM 7950 N3 C B 426 -852.340 15.618 63.369 1.00855.43 N ATOM 7951 C4 C B 426 -853.252 15.342 64.308 1.00855.43 C ATOM 7952 N4 C B 426 -854.457 14.940 63.909 1.00855.43 N ATOM 7953 C5 C B 426 -852.964 15.475 65.694 1.00855.43 C ATOM 7954 C6 C B 426 -851.742 15.893 66.034 1.00855.43 C ATOM 7955 P C B 427 -849.781 21.107 67.001 1.00855.43 P ATOM 7956 O1P C B 427 -848.946 22.231 67.495 1.00855.43 O ATOM 7957 O2P C B 427 -851.180 20.966 67.484 1.00855.43 O ATOM 7958 O5* C B 427 -849.808 21.167 65.408 1.00855.43 O ATOM 7959 C5* C B 427 -848.654 21.567 64.678 1.00855.43 C ATOM 7960 C4* C B 427 -849.023 21.922 63.256 1.00855.43 C ATOM 7961 O4* C B 427 -849.452 20.732 62.546 1.00855.43 O ATOM 7962 C3* C B 427 -850.189 22.884 63.134 1.00855.43 C ATOM 7963 O3* C B 427 -849.758 24.232 63.254 1.00855.43 O ATOM 7964 C2* C B 427 -850.739 22.574 61.745 1.00855.43 C ATOM 7965 O2* C B 427 -850.032 23.245 60.720 1.00855.43 O ATOM 7966 C1* C B 427 -850.486 21.069 61.635 1.00855.43 C ATOM 7967 N1 C B 427 -851.676 20.261 61.955 1.00855.43 N ATOM 7968 C2 C B 427 -852.660 20.078 60.973 1.00855.43 C ATOM 7969 O2 C B 427 -852.499 20.590 59.855 1.00855.43 O ATOM 7970 N3 C B 427 -853.760 19.347 61.263 1.00855.43 N ATOM 7971 C4 C B 427 -853.904 18.813 62.476 1.00855.43 C ATOM 7972 N4 C B 427 -855.010 18.107 62.719 1.00855.43 N ATOM 7973 C5 C B 427 -852.919 18.978 63.495 1.00855.43 C ATOM 7974 C6 C B 427 -851.832 19.703 63.193 1.00855.43 C ATOM 7975 P A B 428 -850.612 25.258 64.151 1.00855.43 P ATOM 7976 O1P A B 428 -849.793 26.480 64.351 1.00855.43 O ATOM 7977 O2P A B 428 -851.142 24.532 65.331 1.00855.43 O ATOM 7978 O5* A B 428 -851.840 25.635 63.213 1.00855.43 O ATOM 7979 C5* A B 428 -851.616 26.276 61.971 1.00855.43 C ATOM 7980 C4* A B 428 -852.859 26.236 61.123 1.00855.43 C ATOM 7981 O4* A B 428 -853.069 24.923 60.568 1.00855.43 O ATOM 7982 C3* A B 428 -854.175 26.608 61.807 1.00855.43 C ATOM 7983 O3* A B 428 -854.365 28.018 61.911 1.00855.43 O ATOM 7984 C2* A B 428 -855.207 25.943 60.900 1.00855.43 C ATOM 7985 O2* A B 428 -855.634 26.695 59.789 1.00855.43 O ATOM 7986 C1* A B 428 -854.454 24.705 60.406 1.00855.43 C ATOM 7987 N9 A B 428 -854.821 23.536 61.182 1.00855.43 N ATOM 7988 C8 A B 428 -854.135 22.948 62.212 1.00855.43 C ATOM 7989 N7 A B 428 -854.750 21.920 62.734 1.00855.43 N ATOM 7990 C5 A B 428 -855.918 21.824 61.994 1.00855.43 C ATOM 7991 C6 A B 428 -857.001 20.941 62.056 1.00855.43 C ATOM 7992 N6 A B 428 -857.087 19.945 62.937 1.00855.43 N ATOM 7993 N1 A B 428 -858.008 21.119 61.169 1.00855.43 N ATOM 7994 C2 A B 428 -857.915 22.118 60.288 1.00855.43 C ATOM 7995 N3 A B 428 -856.948 23.015 60.131 1.00855.43 N ATOM 7996 C4 A B 428 -855.969 22.808 61.029 1.00855.43 C ATOM 7997 P C B 429 -855.010 28.654 63.240 1.00855.43 P ATOM 7998 O1P C B 429 -854.647 30.095 63.254 1.00855.43 O ATOM 7999 O2P C B 429 -854.648 27.797 64.392 1.00855.43 O ATOM 8000 O5* C B 429 -856.581 28.550 62.995 1.00855.43 O ATOM 8001 C5* C B 429 -857.205 29.255 61.925 1.00855.43 C ATOM 8002 C4* C B 429 -858.407 28.490 61.439 1.00855.43 C ATOM 8003 O4* C B 429 -858.050 27.090 61.298 1.00855.43 O ATOM 8004 C3* C B 429 -859.625 28.471 62.326 1.00855.43 C ATOM 8005 O3* C B 429 -860.377 29.651 62.084 1.00855.43 O ATOM 8006 C2* C B 429 -860.345 27.203 61.892 1.00855.43 C ATOM 8007 O2* C B 429 -861.121 27.396 60.727 1.00855.43 O ATOM 8008 C1* C B 429 -859.171 26.273 61.587 1.00855.43 C ATOM 8009 N1 C B 429 -858.830 25.441 62.748 1.00855.43 N ATOM 8010 C2 C B 429 -859.498 24.231 62.935 1.00855.43 C ATOM 8011 O2 C B 429 -860.351 23.888 62.102 1.00855.43 O ATOM 8012 N3 C B 429 -859.206 23.472 64.016 1.00855.43 N ATOM 8013 C4 C B 429 -858.280 23.881 64.886 1.00855.43 C ATOM 8014 N4 C B 429 -858.023 23.105 65.939 1.00855.43 N ATOM 8015 C5 C B 429 -857.575 25.106 64.717 1.00855.43 C ATOM 8016 C6 C B 429 -857.877 25.846 63.643 1.00855.43 C ATOM 8017 P C B 430 -861.470 30.128 63.159 1.00855.43 P ATOM 8018 O1P C B 430 -862.079 31.387 62.660 1.00855.43 O ATOM 8019 O2P C B 430 -860.838 30.098 64.504 1.00855.43 O ATOM 8020 O5* C B 430 -862.574 28.982 63.106 1.00855.43 O ATOM 8021 C5* C B 430 -863.567 28.872 64.123 1.00855.43 C ATOM 8022 C4* C B 430 -864.343 27.588 63.956 1.00855.43 C ATOM 8023 O4* C B 430 -863.413 26.487 63.786 1.00855.43 O ATOM 8024 C3* C B 430 -865.216 27.199 65.141 1.00855.43 C ATOM 8025 O3* C B 430 -866.512 27.783 65.045 1.00855.43 O ATOM 8026 C2* C B 430 -865.258 25.681 65.049 1.00855.43 C ATOM 8027 O2* C B 430 -866.232 25.217 64.131 1.00855.43 O ATOM 8028 C1* C B 430 -863.860 25.362 64.523 1.00855.43 C ATOM 8029 N1 C B 430 -862.887 25.118 65.601 1.00855.43 N ATOM 8030 C2 C B 430 -862.918 23.897 66.283 1.00855.43 C ATOM 8031 O2 C B 430 -863.759 23.049 65.960 1.00855.43 O ATOM 8032 N3 C B 430 -862.030 23.676 67.277 1.00855.43 N ATOM 8033 C4 C B 430 -861.137 24.613 67.601 1.00855.43 C ATOM 8034 N4 C B 430 -860.282 24.355 68.592 1.00855.43 N ATOM 8035 C5 C B 430 -861.083 25.866 66.920 1.00855.43 C ATOM 8036 C6 C B 430 -861.969 26.072 65.937 1.00855.43 C ATOM 8037 P G B 431 -867.383 28.006 66.379 1.00855.43 P ATOM 8038 O1P G B 431 -868.770 28.321 65.957 1.00855.43 O ATOM 8039 O2P G B 431 -866.647 28.955 67.254 1.00855.43 O ATOM 8040 O5* G B 431 -867.384 26.575 67.082 1.00855.43 O ATOM 8041 C5* G B 431 -868.289 25.556 66.665 1.00855.43 C ATOM 8042 C4* G B 431 -868.373 24.467 67.714 1.00855.43 C ATOM 8043 O4* G B 431 -867.134 23.714 67.726 1.00855.43 O ATOM 8044 C3* G B 431 -868.562 24.923 69.161 1.00855.43 C ATOM 8045 O3* G B 431 -869.918 25.189 69.504 1.00855.43 O ATOM 8046 C2* G B 431 -867.992 23.750 69.952 1.00855.43 C ATOM 8047 O2* G B 431 -868.928 22.703 70.113 1.00855.43 O ATOM 8048 C1* G B 431 -866.854 23.278 69.041 1.00855.43 C ATOM 8049 N9 G B 431 -865.540 23.784 69.425 1.00855.43 N ATOM 8050 C8 G B 431 -864.991 24.996 69.082 1.00855.43 C ATOM 8051 N7 G B 431 -863.781 25.163 69.551 1.00855.43 N ATOM 8052 C5 G B 431 -863.518 23.988 70.245 1.00855.43 C ATOM 8053 C6 G B 431 -862.360 23.587 70.966 1.00855.43 C ATOM 8054 O6 G B 431 -861.301 24.203 71.132 1.00855.43 O ATOM 8055 N1 G B 431 -862.522 22.323 71.524 1.00855.43 N ATOM 8056 C2 G B 431 -863.645 21.546 71.407 1.00855.43 C ATOM 8057 N2 G B 431 -863.606 20.359 72.029 1.00855.43 N ATOM 8058 N3 G B 431 -864.726 21.903 70.732 1.00855.43 N ATOM 8059 C4 G B 431 -864.595 23.130 70.183 1.00855.43 C ATOM 8060 P C B 432 -870.271 26.410 70.491 1.00855.43 P ATOM 8061 O1P C B 432 -871.743 26.604 70.432 1.00855.43 O ATOM 8062 O2P C B 432 -869.370 27.547 70.175 1.00855.43 O ATOM 8063 O5* C B 432 -869.903 25.865 71.943 1.00855.43 O ATOM 8064 C5* C B 432 -870.648 24.804 72.533 1.00855.43 C ATOM 8065 C4* C B 432 -869.828 24.108 73.595 1.00855.43 C ATOM 8066 O4* C B 432 -868.530 23.762 73.043 1.00855.43 O ATOM 8067 C3* C B 432 -869.449 24.875 74.850 1.00855.43 C ATOM 8068 O3* C B 432 -870.520 24.906 75.785 1.00855.43 O ATOM 8069 C2* C B 432 -868.260 24.090 75.385 1.00855.43 C ATOM 8070 O2* C B 432 -868.648 22.961 76.142 1.00855.43 O ATOM 8071 C1* C B 432 -867.582 23.639 74.091 1.00855.43 C ATOM 8072 N1 C B 432 -866.432 24.498 73.778 1.00855.43 N ATOM 8073 C2 C B 432 -865.278 24.385 74.557 1.00855.43 C ATOM 8074 O2 C B 432 -865.246 23.536 75.462 1.00855.43 O ATOM 8075 N3 C B 432 -864.229 25.204 74.310 1.00855.43 N ATOM 8076 C4 C B 432 -864.305 26.101 73.323 1.00855.43 C ATOM 8077 N4 C B 432 -863.251 26.897 73.125 1.00855.43 N ATOM 8078 C5 C B 432 -865.463 26.224 72.502 1.00855.43 C ATOM 8079 C6 C B 432 -866.493 25.408 72.760 1.00855.43 C ATOM 8080 P G B 433 -870.512 26.006 76.959 1.00855.43 P ATOM 8081 O1P G B 433 -871.821 25.924 77.659 1.00855.43 O ATOM 8082 O2P G B 433 -870.075 27.300 76.375 1.00855.43 O ATOM 8083 O5* G B 433 -869.378 25.506 77.962 1.00855.43 O ATOM 8084 C5* G B 433 -869.565 24.326 78.739 1.00855.43 C ATOM 8085 C4* G B 433 -868.256 23.881 79.357 1.00855.43 C ATOM 8086 O4* G B 433 -867.249 23.730 78.322 1.00855.43 O ATOM 8087 C3* G B 433 -867.650 24.851 80.362 1.00855.43 C ATOM 8088 O3* G B 433 -868.176 24.632 81.668 1.00855.43 O ATOM 8089 C2* G B 433 -866.162 24.521 80.293 1.00855.43 C ATOM 8090 O2* G B 433 -865.814 23.413 81.098 1.00855.43 O ATOM 8091 C1* G B 433 -865.991 24.155 78.818 1.00855.43 C ATOM 8092 N9 G B 433 -865.526 25.281 78.016 1.00855.43 N ATOM 8093 C8 G B 433 -866.289 26.157 77.278 1.00855.43 C ATOM 8094 N7 G B 433 -865.576 27.066 76.671 1.00855.43 N ATOM 8095 C5 G B 433 -864.268 26.776 77.029 1.00855.43 C ATOM 8096 C6 G B 433 -863.049 27.419 76.677 1.00855.43 C ATOM 8097 O6 G B 433 -862.875 28.410 75.958 1.00855.43 O ATOM 8098 N1 G B 433 -861.952 26.791 77.263 1.00855.43 N ATOM 8099 C2 G B 433 -862.013 25.692 78.078 1.00855.43 C ATOM 8100 N2 G B 433 -860.844 25.231 78.540 1.00855.43 N ATOM 8101 N3 G B 433 -863.140 25.084 78.412 1.00855.43 N ATOM 8102 C4 G B 433 -864.219 25.676 77.856 1.00855.43 C ATOM 8103 P C B 434 -868.088 25.801 82.768 1.00855.43 P ATOM 8104 O1P C B 434 -868.966 25.417 83.902 1.00855.43 O ATOM 8105 O2P C B 434 -868.300 27.102 82.084 1.00855.43 O ATOM 8106 O5* C B 434 -866.574 25.746 83.270 1.00855.43 O ATOM 8107 C5* C B 434 -866.027 26.791 84.074 1.00855.43 C ATOM 8108 C4* C B 434 -864.532 26.619 84.203 1.00855.43 C ATOM 8109 O4* C B 434 -863.955 26.417 82.889 1.00855.43 O ATOM 8110 C3* C B 434 -863.780 27.800 84.809 1.00855.43 C ATOM 8111 O3* C B 434 -863.730 27.671 86.228 1.00855.43 O ATOM 8112 C2* C B 434 -862.388 27.676 84.188 1.00855.43 C ATOM 8113 O2* C B 434 -861.547 26.808 84.920 1.00855.43 O ATOM 8114 C1* C B 434 -862.690 27.047 82.824 1.00855.43 C ATOM 8115 N1 C B 434 -862.688 27.956 81.668 1.00855.43 N ATOM 8116 C2 C B 434 -861.475 28.516 81.244 1.00855.43 C ATOM 8117 O2 C B 434 -860.438 28.266 81.883 1.00855.43 O ATOM 8118 N3 C B 434 -861.461 29.313 80.153 1.00855.43 N ATOM 8119 C4 C B 434 -862.595 29.567 79.496 1.00855.43 C ATOM 8120 N4 C B 434 -862.532 30.345 78.414 1.00855.43 N ATOM 8121 C5 C B 434 -863.847 29.030 79.919 1.00855.43 C ATOM 8122 C6 C B 434 -863.846 28.241 81.000 1.00855.43 C ATOM 8123 P A B 435 -863.025 28.807 87.118 1.00855.43 P ATOM 8124 O1P A B 435 -863.846 29.000 88.340 1.00855.43 O ATOM 8125 O2P A B 435 -862.717 29.970 86.250 1.00855.43 O ATOM 8126 O5* A B 435 -861.649 28.128 87.551 1.00855.43 O ATOM 8127 C5* A B 435 -861.640 26.907 88.284 1.00855.43 C ATOM 8128 C4* A B 435 -860.388 26.117 87.983 1.00855.43 C ATOM 8129 O4* A B 435 -859.221 26.878 88.386 1.00855.43 O ATOM 8130 C3* A B 435 -860.246 24.819 88.736 1.00855.43 C ATOM 8131 O3* A B 435 -860.962 23.781 88.074 1.00855.43 O ATOM 8132 C2* A B 435 -858.743 24.568 88.742 1.00855.43 C ATOM 8133 O2* A B 435 -858.292 23.922 87.568 1.00855.43 O ATOM 8134 C1* A B 435 -858.186 25.995 88.783 1.00855.43 C ATOM 8135 N9 A B 435 -857.730 26.396 90.114 1.00855.43 N ATOM 8136 C8 A B 435 -858.229 27.396 90.909 1.00855.43 C ATOM 8137 N7 A B 435 -857.603 27.519 92.057 1.00855.43 N ATOM 8138 C5 A B 435 -856.629 26.532 92.015 1.00855.43 C ATOM 8139 C6 A B 435 -855.637 26.146 92.930 1.00855.43 C ATOM 8140 N6 A B 435 -855.452 26.732 94.117 1.00855.43 N ATOM 8141 N1 A B 435 -854.827 25.122 92.581 1.00855.43 N ATOM 8142 C2 A B 435 -855.011 24.538 91.389 1.00855.43 C ATOM 8143 N3 A B 435 -855.907 24.813 90.444 1.00855.43 N ATOM 8144 C4 A B 435 -856.696 25.831 90.824 1.00855.43 C ATOM 8145 P A B 436 -862.089 22.962 88.871 1.00855.43 P ATOM 8146 O1P A B 436 -861.850 21.517 88.617 1.00855.43 O ATOM 8147 O2P A B 436 -863.409 23.553 88.546 1.00855.43 O ATOM 8148 O5* A B 436 -861.769 23.257 90.405 1.00855.43 O ATOM 8149 C5* A B 436 -860.669 22.630 91.053 1.00855.43 C ATOM 8150 C4* A B 436 -860.150 23.499 92.171 1.00855.43 C ATOM 8151 O4* A B 436 -860.050 24.876 91.722 1.00855.43 O ATOM 8152 C3* A B 436 -861.052 23.549 93.388 1.00855.43 C ATOM 8153 O3* A B 436 -860.758 22.462 94.255 1.00855.43 O ATOM 8154 C2* A B 436 -860.706 24.895 94.013 1.00855.43 C ATOM 8155 O2* A B 436 -859.553 24.839 94.827 1.00855.43 O ATOM 8156 C1* A B 436 -860.425 25.748 92.776 1.00855.43 C ATOM 8157 N9 A B 436 -861.606 26.501 92.359 1.00855.43 N ATOM 8158 C8 A B 436 -862.852 26.020 92.041 1.00855.43 C ATOM 8159 N7 A B 436 -863.717 26.959 91.734 1.00855.43 N ATOM 8160 C5 A B 436 -862.990 28.134 91.853 1.00855.43 C ATOM 8161 C6 A B 436 -863.333 29.484 91.664 1.00855.43 C ATOM 8162 N6 A B 436 -864.549 29.896 91.303 1.00855.43 N ATOM 8163 N1 A B 436 -862.370 30.412 91.862 1.00855.43 N ATOM 8164 C2 A B 436 -861.152 29.998 92.227 1.00855.43 C ATOM 8165 N3 A B 436 -860.706 28.762 92.439 1.00855.43 N ATOM 8166 C4 A B 436 -861.685 27.867 92.231 1.00855.43 C ATOM 8167 P G B 437 -861.552 22.325 95.645 1.00855.43 P ATOM 8168 O1P G B 437 -862.655 23.318 95.623 1.00855.43 O ATOM 8169 O2P G B 437 -860.569 22.339 96.759 1.00855.43 O ATOM 8170 O5* G B 437 -862.202 20.873 95.570 1.00855.43 O ATOM 8171 C5* G B 437 -862.109 19.969 96.669 1.00855.43 C ATOM 8172 C4* G B 437 -863.409 19.957 97.438 1.00855.43 C ATOM 8173 O4* G B 437 -863.844 21.320 97.667 1.00855.43 O ATOM 8174 C3* G B 437 -864.579 19.278 96.744 1.00855.43 C ATOM 8175 O3* G B 437 -864.573 17.873 96.976 1.00855.43 O ATOM 8176 C2* G B 437 -865.782 19.962 97.382 1.00855.43 C ATOM 8177 O2* G B 437 -866.124 19.401 98.634 1.00855.43 O ATOM 8178 C1* G B 437 -865.259 21.384 97.596 1.00855.43 C ATOM 8179 N9 G B 437 -865.624 22.283 96.506 1.00855.43 N ATOM 8180 C8 G B 437 -865.266 22.184 95.183 1.00855.43 C ATOM 8181 N7 G B 437 -865.752 23.146 94.448 1.00855.43 N ATOM 8182 C5 G B 437 -866.477 23.928 95.339 1.00855.43 C ATOM 8183 C6 G B 437 -867.228 25.114 95.127 1.00855.43 C ATOM 8184 O6 G B 437 -867.410 25.738 94.075 1.00855.43 O ATOM 8185 N1 G B 437 -867.800 25.572 96.312 1.00855.43 N ATOM 8186 C2 G B 437 -867.666 24.972 97.537 1.00855.43 C ATOM 8187 N2 G B 437 -868.292 25.560 98.561 1.00855.43 N ATOM 8188 N3 G B 437 -866.966 23.868 97.747 1.00855.43 N ATOM 8189 C4 G B 437 -866.405 23.406 96.614 1.00855.43 C ATOM 8190 P G B 438 -865.501 16.911 96.082 1.00855.43 P ATOM 8191 O1P G B 438 -865.135 15.511 96.413 1.00855.43 O ATOM 8192 O2P G B 438 -865.434 17.372 94.674 1.00855.43 O ATOM 8193 O5* G B 438 -866.974 17.177 96.627 1.00855.43 O ATOM 8194 C5* G B 438 -867.459 16.476 97.766 1.00855.43 C ATOM 8195 C4* G B 438 -868.591 17.239 98.420 1.00855.43 C ATOM 8196 O4* G B 438 -868.499 18.652 98.101 1.00855.43 O ATOM 8197 C3* G B 438 -870.018 16.872 98.059 1.00855.43 C ATOM 8198 O3* G B 438 -870.457 15.722 98.769 1.00855.43 O ATOM 8199 C2* G B 438 -870.794 18.121 98.461 1.00855.43 C ATOM 8200 O2* G B 438 -871.090 18.153 99.844 1.00855.43 O ATOM 8201 C1* G B 438 -869.796 19.229 98.128 1.00855.43 C ATOM 8202 N9 G B 438 -870.074 19.826 96.826 1.00855.43 N ATOM 8203 C8 G B 438 -869.310 19.732 95.689 1.00855.43 C ATOM 8204 N7 G B 438 -869.836 20.349 94.665 1.00855.43 N ATOM 8205 C5 G B 438 -871.016 20.890 95.160 1.00855.43 C ATOM 8206 C6 G B 438 -872.014 21.664 94.513 1.00855.43 C ATOM 8207 O6 G B 438 -872.064 22.039 93.335 1.00855.43 O ATOM 8208 N1 G B 438 -873.043 22.008 95.386 1.00855.43 N ATOM 8209 C2 G B 438 -873.105 21.651 96.709 1.00855.43 C ATOM 8210 N2 G B 438 -874.181 22.085 97.387 1.00855.43 N ATOM 8211 N3 G B 438 -872.185 20.925 97.323 1.00855.43 N ATOM 8212 C4 G B 438 -871.174 20.583 96.494 1.00855.43 C ATOM 8213 P C B 439 -871.770 14.938 98.270 1.00855.43 P ATOM 8214 O1P C B 439 -871.970 13.778 99.174 1.00855.43 O ATOM 8215 O2P C B 439 -871.645 14.712 96.806 1.00855.43 O ATOM 8216 O5* C B 439 -872.951 15.978 98.518 1.00855.43 O ATOM 8217 C5* C B 439 -873.518 16.123 99.817 1.00855.43 C ATOM 8218 C4* C B 439 -874.851 16.837 99.746 1.00855.43 C ATOM 8219 O4* C B 439 -874.676 18.190 99.249 1.00855.43 O ATOM 8220 C3* C B 439 -875.871 16.199 98.816 1.00855.43 C ATOM 8221 O3* C B 439 -876.600 15.160 99.456 1.00855.43 O ATOM 8222 C2* C B 439 -876.779 17.375 98.471 1.00855.43 C ATOM 8223 O2* C B 439 -877.759 17.611 99.463 1.00855.43 O ATOM 8224 C1* C B 439 -875.793 18.547 98.450 1.00855.43 C ATOM 8225 N1 C B 439 -875.335 18.869 97.091 1.00855.43 N ATOM 8226 C2 C B 439 -876.093 19.773 96.330 1.00855.43 C ATOM 8227 O2 C B 439 -877.106 20.282 96.836 1.00855.43 O ATOM 8228 N3 C B 439 -875.699 20.063 95.069 1.00855.43 N ATOM 8229 C4 C B 439 -874.602 19.496 94.566 1.00855.43 C ATOM 8230 N4 C B 439 -874.255 19.805 93.313 1.00855.43 N ATOM 8231 C5 C B 439 -873.807 18.583 95.322 1.00855.43 C ATOM 8232 C6 C B 439 -874.208 18.304 96.568 1.00855.43 C ATOM 8233 P U B 440 -876.859 13.776 98.675 1.00855.43 P ATOM 8234 O1P U B 440 -877.441 12.823 99.654 1.00855.43 O ATOM 8235 O2P U B 440 -875.614 13.412 97.949 1.00855.43 O ATOM 8236 O5* U B 440 -877.981 14.134 97.599 1.00855.43 O ATOM 8237 C5* U B 440 -879.272 14.575 98.018 1.00855.43 C ATOM 8238 C4* U B 440 -879.938 15.386 96.925 1.00855.43 C ATOM 8239 O4* U B 440 -879.053 16.459 96.519 1.00855.43 O ATOM 8240 C3* U B 440 -880.299 14.677 95.610 1.00855.43 C ATOM 8241 O3* U B 440 -881.533 13.959 95.644 1.00855.43 O ATOM 8242 C2* U B 440 -880.375 15.843 94.629 1.00855.43 C ATOM 8243 O2* U B 440 -881.620 16.507 94.677 1.00855.43 O ATOM 8244 C1* U B 440 -879.290 16.785 95.164 1.00855.43 C ATOM 8245 N1 U B 440 -878.017 16.740 94.428 1.00855.43 N ATOM 8246 C2 U B 440 -877.938 17.429 93.230 1.00855.43 C ATOM 8247 O2 U B 440 -878.876 18.049 92.762 1.00855.43 O ATOM 8248 N3 U B 440 -876.720 17.365 92.594 1.00855.43 N ATOM 8249 C4 U B 440 -875.597 16.695 93.028 1.00855.43 C ATOM 8250 O4 U B 440 -874.574 16.731 92.350 1.00855.43 O ATOM 8251 C5 U B 440 -875.758 16.003 94.276 1.00855.43 C ATOM 8252 C6 U B 440 -876.931 16.048 94.915 1.00855.43 C ATOM 8253 P A B 441 -882.080 13.240 94.313 1.00855.43 P ATOM 8254 O1P A B 441 -880.958 13.211 93.337 1.00855.43 O ATOM 8255 O2P A B 441 -883.369 13.872 93.932 1.00855.43 O ATOM 8256 O5* A B 441 -882.373 11.738 94.765 1.00855.43 O ATOM 8257 C5* A B 441 -881.760 11.185 95.927 1.00855.43 C ATOM 8258 C4* A B 441 -882.680 11.301 97.120 1.00855.43 C ATOM 8259 O4* A B 441 -882.875 12.699 97.456 1.00855.43 O ATOM 8260 C3* A B 441 -884.079 10.741 96.892 1.00855.43 C ATOM 8261 O3* A B 441 -884.116 9.353 97.211 1.00855.43 O ATOM 8262 C2* A B 441 -884.928 11.562 97.857 1.00855.43 C ATOM 8263 O2* A B 441 -884.913 11.048 99.173 1.00855.43 O ATOM 8264 C1* A B 441 -884.225 12.919 97.823 1.00855.43 C ATOM 8265 N9 A B 441 -884.820 13.831 96.848 1.00855.43 N ATOM 8266 C8 A B 441 -885.782 13.539 95.911 1.00855.43 C ATOM 8267 N7 A B 441 -886.134 14.561 95.174 1.00855.43 N ATOM 8268 C5 A B 441 -885.349 15.602 95.653 1.00855.43 C ATOM 8269 C6 A B 441 -885.249 16.953 95.286 1.00855.43 C ATOM 8270 N6 A B 441 -885.973 17.513 94.315 1.00855.43 N ATOM 8271 N1 A B 441 -884.368 17.724 95.963 1.00855.43 N ATOM 8272 C2 A B 441 -883.644 17.160 96.937 1.00855.43 C ATOM 8273 N3 A B 441 -883.648 15.904 97.374 1.00855.43 N ATOM 8274 C4 A B 441 -884.535 15.165 96.681 1.00855.43 C ATOM 8275 P A B 442 -885.514 8.554 97.155 1.00855.43 P ATOM 8276 O1P A B 442 -886.211 8.802 98.443 1.00855.43 O ATOM 8277 O2P A B 442 -885.233 7.161 96.726 1.00855.43 O ATOM 8278 O5* A B 442 -886.342 9.277 95.999 1.00855.43 O ATOM 8279 C5* A B 442 -887.765 9.229 95.976 1.00855.43 C ATOM 8280 C4* A B 442 -888.269 9.300 94.552 1.00855.43 C ATOM 8281 O4* A B 442 -887.985 10.617 94.014 1.00855.43 O ATOM 8282 C3* A B 442 -887.658 8.361 93.540 1.00855.43 C ATOM 8283 O3* A B 442 -888.281 7.083 93.618 1.00855.43 O ATOM 8284 C2* A B 442 -887.917 9.061 92.213 1.00855.43 C ATOM 8285 O2* A B 442 -889.220 8.812 91.717 1.00855.43 O ATOM 8286 C1* A B 442 -887.805 10.534 92.611 1.00855.43 C ATOM 8287 N9 A B 442 -886.500 11.115 92.294 1.00855.43 N ATOM 8288 C8 A B 442 -885.269 10.554 92.520 1.00855.43 C ATOM 8289 N7 A B 442 -884.266 11.305 92.141 1.00855.43 N ATOM 8290 C5 A B 442 -884.876 12.438 91.624 1.00855.43 C ATOM 8291 C6 A B 442 -884.355 13.615 91.058 1.00855.43 C ATOM 8292 N6 A B 442 -883.043 13.850 90.920 1.00855.43 N ATOM 8293 N1 A B 442 -885.228 14.554 90.638 1.00855.43 N ATOM 8294 C2 A B 442 -886.541 14.311 90.785 1.00855.43 C ATOM 8295 N3 A B 442 -887.154 13.246 91.302 1.00855.43 N ATOM 8296 C4 A B 442 -886.253 12.333 91.708 1.00855.43 C ATOM 8297 P A B 443 -887.470 5.833 94.227 1.00855.43 P ATOM 8298 O1P A B 443 -888.160 5.410 95.471 1.00855.43 O ATOM 8299 O2P A B 443 -886.031 6.197 94.274 1.00855.43 O ATOM 8300 O5* A B 443 -887.652 4.684 93.138 1.00855.43 O ATOM 8301 C5* A B 443 -888.846 4.581 92.362 1.00855.43 C ATOM 8302 C4* A B 443 -888.529 4.789 90.902 1.00855.43 C ATOM 8303 O4* A B 443 -887.793 6.032 90.764 1.00855.43 O ATOM 8304 C3* A B 443 -887.644 3.740 90.233 1.00855.43 C ATOM 8305 O3* A B 443 -888.425 2.648 89.747 1.00855.43 O ATOM 8306 C2* A B 443 -886.981 4.522 89.104 1.00855.43 C ATOM 8307 O2* A B 443 -887.790 4.596 87.946 1.00855.43 O ATOM 8308 C1* A B 443 -886.850 5.920 89.718 1.00855.43 C ATOM 8309 N9 A B 443 -885.528 6.240 90.258 1.00855.43 N ATOM 8310 C8 A B 443 -884.895 5.705 91.353 1.00855.43 C ATOM 8311 N7 A B 443 -883.709 6.226 91.588 1.00855.43 N ATOM 8312 C5 A B 443 -883.552 7.165 90.577 1.00855.43 C ATOM 8313 C6 A B 443 -882.509 8.067 90.255 1.00855.43 C ATOM 8314 N6 A B 443 -881.367 8.187 90.935 1.00855.43 N ATOM 8315 N1 A B 443 -882.683 8.859 89.180 1.00855.43 N ATOM 8316 C2 A B 443 -883.812 8.756 88.482 1.00855.43 C ATOM 8317 N3 A B 443 -884.855 7.956 88.673 1.00855.43 N ATOM 8318 C4 A B 443 -884.663 7.178 89.748 1.00855.43 C ATOM 8319 P U B 444 -887.776 1.184 89.608 1.00855.43 P ATOM 8320 O1P U B 444 -888.440 0.521 88.454 1.00855.43 O ATOM 8321 O2P U B 444 -887.799 0.529 90.940 1.00855.43 O ATOM 8322 O5* U B 444 -886.260 1.457 89.205 1.00855.43 O ATOM 8323 C5* U B 444 -885.840 1.415 87.843 1.00855.43 C ATOM 8324 C4* U B 444 -884.386 1.007 87.758 1.00855.43 C ATOM 8325 O4* U B 444 -883.572 2.060 88.328 1.00855.43 O ATOM 8326 C3* U B 444 -883.913 -0.241 88.500 1.00855.43 C ATOM 8327 O3* U B 444 -884.166 -1.434 87.761 1.00855.43 O ATOM 8328 C2* U B 444 -882.417 -0.002 88.673 1.00855.43 C ATOM 8329 O2* U B 444 -881.668 -0.422 87.549 1.00855.43 O ATOM 8330 C1* U B 444 -882.343 1.525 88.780 1.00855.43 C ATOM 8331 N1 U B 444 -882.087 2.040 90.132 1.00855.43 N ATOM 8332 C2 U B 444 -880.779 2.065 90.574 1.00855.43 C ATOM 8333 O2 U B 444 -879.848 1.649 89.906 1.00855.43 O ATOM 8334 N3 U B 444 -880.600 2.595 91.827 1.00855.43 N ATOM 8335 C4 U B 444 -881.578 3.084 92.671 1.00855.43 C ATOM 8336 O4 U B 444 -881.257 3.562 93.760 1.00855.43 O ATOM 8337 C5 U B 444 -882.909 3.004 92.149 1.00855.43 C ATOM 8338 C6 U B 444 -883.110 2.497 90.927 1.00855.43 C ATOM 8339 P A B 445 -884.454 -2.814 88.535 1.00855.43 P ATOM 8340 O1P A B 445 -884.437 -3.895 87.516 1.00855.43 O ATOM 8341 O2P A B 445 -885.646 -2.637 89.396 1.00855.43 O ATOM 8342 O5* A B 445 -883.181 -3.010 89.472 1.00855.43 O ATOM 8343 C5* A B 445 -882.210 -4.014 89.196 1.00855.43 C ATOM 8344 C4* A B 445 -881.235 -4.113 90.343 1.00855.43 C ATOM 8345 O4* A B 445 -880.779 -2.778 90.682 1.00855.43 O ATOM 8346 C3* A B 445 -881.735 -4.675 91.662 1.00855.43 C ATOM 8347 O3* A B 445 -881.736 -6.097 91.652 1.00855.43 O ATOM 8348 C2* A B 445 -880.753 -4.084 92.663 1.00855.43 C ATOM 8349 O2* A B 445 -879.533 -4.792 92.715 1.00855.43 O ATOM 8350 C1* A B 445 -880.524 -2.692 92.074 1.00855.43 C ATOM 8351 N9 A B 445 -881.469 -1.731 92.637 1.00855.43 N ATOM 8352 C8 A B 445 -882.235 -0.824 91.947 1.00855.43 C ATOM 8353 N7 A B 445 -883.023 -0.110 92.709 1.00855.43 N ATOM 8354 C5 A B 445 -882.752 -0.567 93.991 1.00855.43 C ATOM 8355 C6 A B 445 -883.263 -0.211 95.249 1.00855.43 C ATOM 8356 N6 A B 445 -884.197 0.725 95.430 1.00855.43 N ATOM 8357 N1 A B 445 -882.779 -0.859 96.330 1.00855.43 N ATOM 8358 C2 A B 445 -881.844 -1.800 96.147 1.00855.43 C ATOM 8359 N3 A B 445 -881.286 -2.225 95.016 1.00855.43 N ATOM 8360 C4 A B 445 -881.790 -1.561 93.961 1.00855.43 C ATOM 8361 P C B 446 -882.765 -6.895 92.598 1.00855.43 P ATOM 8362 O1P C B 446 -882.415 -8.335 92.533 1.00855.43 O ATOM 8363 O2P C B 446 -884.143 -6.457 92.261 1.00855.43 O ATOM 8364 O5* C B 446 -882.420 -6.366 94.063 1.00855.43 O ATOM 8365 C5* C B 446 -881.182 -6.701 94.674 1.00855.43 C ATOM 8366 C4* C B 446 -881.275 -6.581 96.177 1.00855.43 C ATOM 8367 O4* C B 446 -881.681 -5.239 96.559 1.00855.43 O ATOM 8368 C3* C B 446 -882.325 -7.409 96.900 1.00855.43 C ATOM 8369 O3* C B 446 -881.849 -8.740 97.044 1.00855.43 O ATOM 8370 C2* C B 446 -882.521 -6.707 98.237 1.00855.43 C ATOM 8371 O2* C B 446 -881.621 -7.166 99.227 1.00855.43 O ATOM 8372 C1* C B 446 -882.189 -5.256 97.884 1.00855.43 C ATOM 8373 N1 C B 446 -883.372 -4.385 97.954 1.00855.43 N ATOM 8374 C2 C B 446 -883.661 -3.742 99.166 1.00855.43 C ATOM 8375 O2 C B 446 -882.900 -3.913 100.130 1.00855.43 O ATOM 8376 N3 C B 446 -884.759 -2.957 99.252 1.00855.43 N ATOM 8377 C4 C B 446 -885.549 -2.796 98.191 1.00855.43 C ATOM 8378 N4 C B 446 -886.626 -2.016 98.327 1.00855.43 N ATOM 8379 C5 C B 446 -885.275 -3.429 96.942 1.00855.43 C ATOM 8380 C6 C B 446 -884.186 -4.206 96.869 1.00855.43 C ATOM 8381 P U B 447 -882.805 -9.970 96.665 1.00855.43 P ATOM 8382 O1P U B 447 -881.954 -11.046 96.094 1.00855.43 O ATOM 8383 O2P U B 447 -883.949 -9.444 95.878 1.00855.43 O ATOM 8384 O5* U B 447 -883.356 -10.461 98.074 1.00855.43 O ATOM 8385 C5* U B 447 -882.599 -10.242 99.257 1.00855.43 C ATOM 8386 C4* U B 447 -883.449 -9.570 100.307 1.00855.43 C ATOM 8387 O4* U B 447 -884.304 -8.574 99.694 1.00855.43 O ATOM 8388 C3* U B 447 -884.364 -10.479 101.116 1.00855.43 C ATOM 8389 O3* U B 447 -883.661 -10.981 102.245 1.00855.43 O ATOM 8390 C2* U B 447 -885.499 -9.541 101.526 1.00855.43 C ATOM 8391 O2* U B 447 -885.199 -8.828 102.704 1.00855.43 O ATOM 8392 C1* U B 447 -885.557 -8.562 100.348 1.00855.43 C ATOM 8393 N1 U B 447 -886.616 -8.828 99.362 1.00855.43 N ATOM 8394 C2 U B 447 -887.747 -8.032 99.418 1.00855.43 C ATOM 8395 O2 U B 447 -887.893 -7.150 100.249 1.00855.43 O ATOM 8396 N3 U B 447 -888.696 -8.305 98.469 1.00855.43 N ATOM 8397 C4 U B 447 -888.638 -9.274 97.488 1.00855.43 C ATOM 8398 O4 U B 447 -889.572 -9.388 96.693 1.00855.43 O ATOM 8399 C5 U B 447 -887.439 -10.060 97.501 1.00855.43 C ATOM 8400 C6 U B 447 -886.493 -9.813 98.414 1.00855.43 C ATOM 8401 P C B 448 -884.276 -12.193 103.097 1.00855.43 P ATOM 8402 O1P C B 448 -883.233 -13.250 103.150 1.00855.43 O ATOM 8403 O2P C B 448 -885.624 -12.519 102.568 1.00855.43 O ATOM 8404 O5* C B 448 -884.436 -11.581 104.563 1.00855.43 O ATOM 8405 C5* C B 448 -885.562 -11.917 105.363 1.00855.43 C ATOM 8406 C4* C B 448 -885.317 -11.566 106.813 1.00855.43 C ATOM 8407 O4* C B 448 -884.661 -10.274 106.923 1.00855.43 O ATOM 8408 C3* C B 448 -886.530 -11.481 107.725 1.00855.43 C ATOM 8409 O3* C B 448 -886.918 -12.757 108.215 1.00855.43 O ATOM 8410 C2* C B 448 -886.026 -10.588 108.857 1.00855.43 C ATOM 8411 O2* C B 448 -885.311 -11.311 109.840 1.00855.43 O ATOM 8412 C1* C B 448 -885.068 -9.645 108.128 1.00855.43 C ATOM 8413 N1 C B 448 -885.670 -8.339 107.816 1.00855.43 N ATOM 8414 C2 C B 448 -885.348 -7.244 108.626 1.00855.43 C ATOM 8415 O2 C B 448 -884.552 -7.408 109.562 1.00855.43 O ATOM 8416 N3 C B 448 -885.909 -6.042 108.367 1.00855.43 N ATOM 8417 C4 C B 448 -886.758 -5.909 107.346 1.00855.43 C ATOM 8418 N4 C B 448 -887.295 -4.705 107.132 1.00855.43 N ATOM 8419 C5 C B 448 -887.094 -7.002 106.497 1.00855.43 C ATOM 8420 C6 C B 448 -886.534 -8.190 106.767 1.00855.43 C ATOM 8421 P C B 449 -888.479 -13.114 108.336 1.00855.43 P ATOM 8422 O1P C B 449 -888.569 -14.496 108.878 1.00855.43 O ATOM 8423 O2P C B 449 -889.140 -12.788 107.049 1.00855.43 O ATOM 8424 O5* C B 449 -889.020 -12.112 109.451 1.00855.43 O ATOM 8425 C5* C B 449 -890.395 -12.104 109.814 1.00855.43 C ATOM 8426 C4* C B 449 -890.859 -10.700 110.128 1.00855.43 C ATOM 8427 O4* C B 449 -890.153 -9.732 109.305 1.00855.43 O ATOM 8428 C3* C B 449 -892.326 -10.442 109.870 1.00855.43 C ATOM 8429 O3* C B 449 -893.125 -10.830 110.976 1.00855.43 O ATOM 8430 C2* C B 449 -892.373 -8.935 109.645 1.00855.43 C ATOM 8431 O2* C B 449 -892.431 -8.206 110.853 1.00855.43 O ATOM 8432 C1* C B 449 -891.033 -8.677 108.953 1.00855.43 C ATOM 8433 N1 C B 449 -891.179 -8.634 107.491 1.00855.43 N ATOM 8434 C2 C B 449 -891.384 -7.395 106.874 1.00855.43 C ATOM 8435 O2 C B 449 -891.421 -6.372 107.580 1.00855.43 O ATOM 8436 N3 C B 449 -891.545 -7.340 105.532 1.00855.43 N ATOM 8437 C4 C B 449 -891.502 -8.463 104.811 1.00855.43 C ATOM 8438 N4 C B 449 -891.670 -8.362 103.489 1.00855.43 N ATOM 8439 C5 C B 449 -891.286 -9.739 105.411 1.00855.43 C ATOM 8440 C6 C B 449 -891.126 -9.776 106.742 1.00855.43 C ATOM 8441 P C B 450 -894.519 -11.585 110.714 1.00855.43 P ATOM 8442 O1P C B 450 -895.030 -12.063 112.022 1.00855.43 O ATOM 8443 O2P C B 450 -894.317 -12.553 109.604 1.00855.43 O ATOM 8444 O5* C B 450 -895.484 -10.430 110.189 1.00855.43 O ATOM 8445 C5* C B 450 -896.435 -9.828 111.061 1.00855.43 C ATOM 8446 C4* C B 450 -897.321 -8.880 110.285 1.00855.43 C ATOM 8447 O4* C B 450 -896.503 -7.992 109.477 1.00855.43 O ATOM 8448 C3* C B 450 -898.302 -9.477 109.294 1.00855.43 C ATOM 8449 O3* C B 450 -899.479 -9.943 109.936 1.00855.43 O ATOM 8450 C2* C B 450 -898.576 -8.311 108.350 1.00855.43 C ATOM 8451 O2* C B 450 -899.548 -7.419 108.860 1.00855.43 O ATOM 8452 C1* C B 450 -897.212 -7.623 108.305 1.00855.43 C ATOM 8453 N1 C B 450 -896.416 -8.043 107.141 1.00855.43 N ATOM 8454 C2 C B 450 -896.469 -7.275 105.971 1.00855.43 C ATOM 8455 O2 C B 450 -897.168 -6.254 105.950 1.00855.43 O ATOM 8456 N3 C B 450 -895.751 -7.665 104.893 1.00855.43 N ATOM 8457 C4 C B 450 -895.004 -8.769 104.952 1.00855.43 C ATOM 8458 N4 C B 450 -894.315 -9.118 103.863 1.00855.43 N ATOM 8459 C5 C B 450 -894.927 -9.565 106.131 1.00855.43 C ATOM 8460 C6 C B 450 -895.641 -9.169 107.194 1.00855.43 C ATOM 8461 P A B 451 -900.312 -11.152 109.283 1.00855.43 P ATOM 8462 O1P A B 451 -900.951 -11.917 110.383 1.00855.43 O ATOM 8463 O2P A B 451 -899.429 -11.852 108.317 1.00855.43 O ATOM 8464 O5* A B 451 -901.458 -10.411 108.459 1.00855.43 O ATOM 8465 C5* A B 451 -902.320 -11.148 107.595 1.00855.43 C ATOM 8466 C4* A B 451 -902.942 -10.220 106.580 1.00855.43 C ATOM 8467 O4* A B 451 -901.957 -9.258 106.125 1.00855.43 O ATOM 8468 C3* A B 451 -903.468 -10.895 105.318 1.00855.43 C ATOM 8469 O3* A B 451 -904.801 -11.367 105.486 1.00855.43 O ATOM 8470 C2* A B 451 -903.346 -9.802 104.267 1.00855.43 C ATOM 8471 O2* A B 451 -904.440 -8.911 104.274 1.00855.43 O ATOM 8472 C1* A B 451 -902.083 -9.068 104.724 1.00855.43 C ATOM 8473 N9 A B 451 -900.862 -9.572 104.096 1.00855.43 N ATOM 8474 C8 A B 451 -900.106 -10.648 104.490 1.00855.43 C ATOM 8475 N7 A B 451 -899.055 -10.859 103.735 1.00855.43 N ATOM 8476 C5 A B 451 -899.125 -9.859 102.778 1.00855.43 C ATOM 8477 C6 A B 451 -898.297 -9.535 101.687 1.00855.43 C ATOM 8478 N6 A B 451 -897.191 -10.210 101.365 1.00855.43 N ATOM 8479 N1 A B 451 -898.651 -8.475 100.927 1.00855.43 N ATOM 8480 C2 A B 451 -899.756 -7.794 101.251 1.00855.43 C ATOM 8481 N3 A B 451 -900.612 -7.999 102.250 1.00855.43 N ATOM 8482 C4 A B 451 -900.233 -9.059 102.986 1.00855.43 C ATOM 8483 P G B 452 -905.287 -12.671 104.679 1.00855.43 P ATOM 8484 O1P G B 452 -906.772 -12.694 104.714 1.00855.43 O ATOM 8485 O2P G B 452 -904.521 -13.840 105.178 1.00855.43 O ATOM 8486 O5* G B 452 -904.829 -12.375 103.182 1.00855.43 O ATOM 8487 C5* G B 452 -905.650 -11.602 102.313 1.00855.43 C ATOM 8488 C4* G B 452 -904.965 -11.415 100.984 1.00855.43 C ATOM 8489 O4* G B 452 -903.623 -10.906 101.190 1.00855.43 O ATOM 8490 C3* G B 452 -904.747 -12.650 100.128 1.00855.43 C ATOM 8491 O3* G B 452 -905.927 -13.015 99.423 1.00855.43 O ATOM 8492 C2* G B 452 -903.610 -12.222 99.207 1.00855.43 C ATOM 8493 O2* G B 452 -904.064 -11.469 98.099 1.00855.43 O ATOM 8494 C1* G B 452 -902.782 -11.332 100.131 1.00855.43 C ATOM 8495 N9 G B 452 -901.646 -12.042 100.711 1.00855.43 N ATOM 8496 C8 G B 452 -901.631 -12.753 101.888 1.00855.43 C ATOM 8497 N7 G B 452 -900.471 -13.294 102.144 1.00855.43 N ATOM 8498 C5 G B 452 -899.672 -12.916 101.076 1.00855.43 C ATOM 8499 C6 G B 452 -898.309 -13.200 100.801 1.00855.43 C ATOM 8500 O6 G B 452 -897.510 -13.868 101.470 1.00855.43 O ATOM 8501 N1 G B 452 -897.896 -12.617 99.607 1.00855.43 N ATOM 8502 C2 G B 452 -898.690 -11.858 98.783 1.00855.43 C ATOM 8503 N2 G B 452 -898.107 -11.383 97.673 1.00855.43 N ATOM 8504 N3 G B 452 -899.961 -11.584 99.028 1.00855.43 N ATOM 8505 C4 G B 452 -900.383 -12.141 100.183 1.00855.43 C ATOM 8506 P U B 453 -906.053 -14.489 98.795 1.00855.43 P ATOM 8507 O1P U B 453 -907.371 -14.571 98.117 1.00855.43 O ATOM 8508 O2P U B 453 -905.707 -15.471 99.855 1.00855.43 O ATOM 8509 O5* U B 453 -904.909 -14.527 97.685 1.00855.43 O ATOM 8510 C5* U B 453 -905.139 -13.967 96.395 1.00855.43 C ATOM 8511 C4* U B 453 -903.841 -13.832 95.632 1.00855.43 C ATOM 8512 O4* U B 453 -902.816 -13.296 96.508 1.00855.43 O ATOM 8513 C3* U B 453 -903.241 -15.099 95.036 1.00855.43 C ATOM 8514 O3* U B 453 -903.781 -15.365 93.743 1.00855.43 O ATOM 8515 C2* U B 453 -901.759 -14.755 94.947 1.00855.43 C ATOM 8516 O2* U B 453 -901.446 -14.012 93.785 1.00855.43 O ATOM 8517 C1* U B 453 -901.563 -13.866 96.176 1.00855.43 C ATOM 8518 N1 U B 453 -901.050 -14.601 97.341 1.00855.43 N ATOM 8519 C2 U B 453 -899.687 -14.834 97.394 1.00855.43 C ATOM 8520 O2 U B 453 -898.917 -14.447 96.534 1.00855.43 O ATOM 8521 N3 U B 453 -899.261 -15.535 98.493 1.00855.43 N ATOM 8522 C4 U B 453 -900.041 -16.016 99.526 1.00855.43 C ATOM 8523 O4 U B 453 -899.507 -16.641 100.446 1.00855.43 O ATOM 8524 C5 U B 453 -901.436 -15.729 99.402 1.00855.43 C ATOM 8525 C6 U B 453 -901.882 -15.046 98.341 1.00855.43 C ATOM 8526 P G B 454 -903.992 -16.887 93.264 1.00855.43 P ATOM 8527 O1P G B 454 -904.954 -16.867 92.135 1.00855.43 O ATOM 8528 O2P G B 454 -904.283 -17.713 94.462 1.00855.43 O ATOM 8529 O5* G B 454 -902.568 -17.326 92.695 1.00855.43 O ATOM 8530 C5* G B 454 -902.278 -17.267 91.298 1.00855.43 C ATOM 8531 C4* G B 454 -901.089 -18.142 90.980 1.00855.43 C ATOM 8532 O4* G B 454 -900.069 -17.929 91.981 1.00855.43 O ATOM 8533 C3* G B 454 -901.304 -19.660 90.933 1.00855.43 C ATOM 8534 O3* G B 454 -901.722 -20.100 89.636 1.00855.43 O ATOM 8535 C2* G B 454 -899.922 -20.215 91.275 1.00855.43 C ATOM 8536 O2* G B 454 -899.109 -20.386 90.134 1.00855.43 O ATOM 8537 C1* G B 454 -899.324 -19.112 92.160 1.00855.43 C ATOM 8538 N9 G B 454 -899.199 -19.366 93.593 1.00855.43 N ATOM 8539 C8 G B 454 -899.880 -18.737 94.606 1.00855.43 C ATOM 8540 N7 G B 454 -899.504 -19.124 95.795 1.00855.43 N ATOM 8541 C5 G B 454 -898.521 -20.075 95.555 1.00855.43 C ATOM 8542 C6 G B 454 -897.733 -20.836 96.461 1.00855.43 C ATOM 8543 O6 G B 454 -897.738 -20.813 97.698 1.00855.43 O ATOM 8544 N1 G B 454 -896.869 -21.693 95.790 1.00855.43 N ATOM 8545 C2 G B 454 -896.767 -21.800 94.426 1.00855.43 C ATOM 8546 N2 G B 454 -895.875 -22.697 93.976 1.00855.43 N ATOM 8547 N3 G B 454 -897.481 -21.089 93.570 1.00855.43 N ATOM 8548 C4 G B 454 -898.336 -20.253 94.199 1.00855.43 C ATOM 8549 P A B 455 -902.862 -21.228 89.488 1.00855.43 P ATOM 8550 O1P A B 455 -903.970 -20.648 88.694 1.00855.43 O ATOM 8551 O2P A B 455 -903.146 -21.790 90.831 1.00855.43 O ATOM 8552 O5* A B 455 -902.199 -22.369 88.590 1.00855.43 O ATOM 8553 C5* A B 455 -902.776 -23.673 88.546 1.00855.43 C ATOM 8554 C4* A B 455 -901.981 -24.600 87.644 1.00855.43 C ATOM 8555 O4* A B 455 -902.258 -24.343 86.246 1.00855.43 O ATOM 8556 C3* A B 455 -900.462 -24.640 87.701 1.00855.43 C ATOM 8557 O3* A B 455 -899.997 -25.383 88.821 1.00855.43 O ATOM 8558 C2* A B 455 -900.090 -25.341 86.391 1.00855.43 C ATOM 8559 O2* A B 455 -900.073 -26.745 86.516 1.00855.43 O ATOM 8560 C1* A B 455 -901.245 -24.947 85.459 1.00855.43 C ATOM 8561 N9 A B 455 -900.871 -24.027 84.383 1.00855.43 N ATOM 8562 C8 A B 455 -900.225 -22.848 84.543 1.00855.43 C ATOM 8563 N7 A B 455 -899.986 -22.206 83.427 1.00855.43 N ATOM 8564 C5 A B 455 -900.526 -23.026 82.456 1.00855.43 C ATOM 8565 C6 A B 455 -900.597 -22.910 81.061 1.00855.43 C ATOM 8566 N6 A B 455 -900.096 -21.878 80.374 1.00855.43 N ATOM 8567 N1 A B 455 -901.211 -23.902 80.380 1.00855.43 N ATOM 8568 C2 A B 455 -901.708 -24.935 81.072 1.00855.43 C ATOM 8569 N3 A B 455 -901.697 -25.159 82.386 1.00855.43 N ATOM 8570 C4 A B 455 -901.083 -24.156 83.028 1.00855.43 C ATOM 8571 P C B 456 -898.436 -25.362 89.208 1.00855.43 P ATOM 8572 O1P C B 456 -898.310 -24.778 90.566 1.00855.43 O ATOM 8573 O2P C B 456 -897.685 -24.762 88.075 1.00855.43 O ATOM 8574 O5* C B 456 -898.054 -26.908 89.294 1.00855.43 O ATOM 8575 C5* C B 456 -898.371 -27.679 90.448 1.00855.43 C ATOM 8576 C4* C B 456 -897.109 -28.071 91.177 1.00855.43 C ATOM 8577 O4* C B 456 -896.444 -26.878 91.674 1.00855.43 O ATOM 8578 C3* C B 456 -897.275 -28.930 92.407 1.00855.43 C ATOM 8579 O3* C B 456 -897.404 -30.300 92.061 1.00855.43 O ATOM 8580 C2* C B 456 -895.993 -28.660 93.183 1.00855.43 C ATOM 8581 O2* C B 456 -894.901 -29.433 92.727 1.00855.43 O ATOM 8582 C1* C B 456 -895.750 -27.184 92.874 1.00855.43 C ATOM 8583 N1 C B 456 -896.269 -26.333 93.953 1.00855.43 N ATOM 8584 C2 C B 456 -895.365 -25.740 94.833 1.00855.43 C ATOM 8585 O2 C B 456 -894.150 -25.897 94.640 1.00855.43 O ATOM 8586 N3 C B 456 -895.832 -25.014 95.871 1.00855.43 N ATOM 8587 C4 C B 456 -897.151 -24.858 96.039 1.00855.43 C ATOM 8588 N4 C B 456 -897.569 -24.158 97.098 1.00855.43 N ATOM 8589 C5 C B 456 -898.094 -25.424 95.135 1.00855.43 C ATOM 8590 C6 C B 456 -897.615 -26.144 94.114 1.00855.43 C ATOM 8591 P C B 457 -898.102 -31.308 93.098 1.00855.43 P ATOM 8592 O1P C B 457 -898.538 -32.516 92.359 1.00855.43 O ATOM 8593 O2P C B 457 -899.094 -30.539 93.891 1.00855.43 O ATOM 8594 O5* C B 457 -896.913 -31.725 94.073 1.00855.43 O ATOM 8595 C5* C B 457 -895.659 -32.134 93.540 1.00855.43 C ATOM 8596 C4* C B 457 -894.586 -32.060 94.597 1.00855.43 C ATOM 8597 O4* C B 457 -894.475 -30.701 95.101 1.00855.43 O ATOM 8598 C3* C B 457 -894.863 -32.910 95.818 1.00855.43 C ATOM 8599 O3* C B 457 -894.380 -34.229 95.598 1.00855.43 O ATOM 8600 C2* C B 457 -894.080 -32.195 96.911 1.00855.43 C ATOM 8601 O2* C B 457 -892.712 -32.546 96.909 1.00855.43 O ATOM 8602 C1* C B 457 -894.232 -30.729 96.498 1.00855.43 C ATOM 8603 N1 C B 457 -895.355 -30.083 97.197 1.00855.43 N ATOM 8604 C2 C B 457 -895.180 -29.707 98.534 1.00855.43 C ATOM 8605 O2 C B 457 -894.078 -29.910 99.074 1.00855.43 O ATOM 8606 N3 C B 457 -896.203 -29.128 99.200 1.00855.43 N ATOM 8607 C4 C B 457 -897.368 -28.924 98.580 1.00855.43 C ATOM 8608 N4 C B 457 -898.354 -28.355 99.282 1.00855.43 N ATOM 8609 C5 C B 457 -897.574 -29.291 97.219 1.00855.43 C ATOM 8610 C6 C B 457 -896.549 -29.862 96.570 1.00855.43 C ATOM 8611 P G B 458 -895.436 -35.418 95.355 1.00855.43 P ATOM 8612 O1P G B 458 -894.776 -36.573 94.707 1.00855.43 O ATOM 8613 O2P G B 458 -896.673 -34.850 94.764 1.00855.43 O ATOM 8614 O5* G B 458 -895.769 -35.906 96.821 1.00855.43 O ATOM 8615 C5* G B 458 -894.747 -36.414 97.662 1.00855.43 C ATOM 8616 C4* G B 458 -894.904 -35.811 99.020 1.00855.43 C ATOM 8617 O4* G B 458 -895.175 -34.399 98.852 1.00855.43 O ATOM 8618 C3* G B 458 -896.036 -36.324 99.893 1.00855.43 C ATOM 8619 O3* G B 458 -895.615 -37.510 100.562 1.00855.43 O ATOM 8620 C2* G B 458 -896.324 -35.138 100.808 1.00855.43 C ATOM 8621 O2* G B 458 -895.459 -35.085 101.922 1.00855.43 O ATOM 8622 C1* G B 458 -896.023 -33.952 99.885 1.00855.43 C ATOM 8623 N9 G B 458 -897.178 -33.315 99.262 1.00855.43 N ATOM 8624 C8 G B 458 -897.631 -33.463 97.973 1.00855.43 C ATOM 8625 N7 G B 458 -898.668 -32.716 97.703 1.00855.43 N ATOM 8626 C5 G B 458 -898.919 -32.042 98.890 1.00855.43 C ATOM 8627 C6 G B 458 -899.917 -31.088 99.215 1.00855.43 C ATOM 8628 O6 G B 458 -900.809 -30.624 98.493 1.00855.43 O ATOM 8629 N1 G B 458 -899.811 -30.669 100.540 1.00855.43 N ATOM 8630 C2 G B 458 -898.861 -31.107 101.433 1.00855.43 C ATOM 8631 N2 G B 458 -898.917 -30.590 102.668 1.00855.43 N ATOM 8632 N3 G B 458 -897.925 -31.989 101.140 1.00855.43 N ATOM 8633 C4 G B 458 -898.014 -32.412 99.862 1.00855.43 C ATOM 8634 P A B 459 -896.564 -38.202 101.654 1.00855.43 P ATOM 8635 O1P A B 459 -896.128 -39.616 101.774 1.00855.43 O ATOM 8636 O2P A B 459 -897.980 -37.897 101.325 1.00855.43 O ATOM 8637 O5* A B 459 -896.179 -37.448 103.002 1.00855.43 O ATOM 8638 C5* A B 459 -895.090 -37.896 103.812 1.00855.43 C ATOM 8639 C4* A B 459 -894.176 -36.739 104.143 1.00855.43 C ATOM 8640 O4* A B 459 -894.920 -35.675 104.770 1.00855.43 O ATOM 8641 C3* A B 459 -893.046 -37.089 105.096 1.00855.43 C ATOM 8642 O3* A B 459 -891.915 -37.567 104.366 1.00855.43 O ATOM 8643 C2* A B 459 -892.733 -35.742 105.750 1.00855.43 C ATOM 8644 O2* A B 459 -891.751 -35.008 105.047 1.00855.43 O ATOM 8645 C1* A B 459 -894.079 -35.005 105.681 1.00855.43 C ATOM 8646 N9 A B 459 -894.812 -34.773 106.925 1.00855.43 N ATOM 8647 C8 A B 459 -896.135 -34.421 107.032 1.00855.43 C ATOM 8648 N7 A B 459 -896.527 -34.194 108.261 1.00855.43 N ATOM 8649 C5 A B 459 -895.388 -34.427 109.018 1.00855.43 C ATOM 8650 C6 A B 459 -895.141 -34.338 110.400 1.00855.43 C ATOM 8651 N6 A B 459 -896.061 -33.969 111.296 1.00855.43 N ATOM 8652 N1 A B 459 -893.899 -34.639 110.834 1.00855.43 N ATOM 8653 C2 A B 459 -892.973 -34.993 109.934 1.00855.43 C ATOM 8654 N3 A B 459 -893.082 -35.104 108.612 1.00855.43 N ATOM 8655 C4 A B 459 -894.330 -34.803 108.213 1.00855.43 C ATOM 8656 P U B 460 -891.430 -39.088 104.528 1.00855.43 P ATOM 8657 O1P U B 460 -891.900 -39.818 103.322 1.00855.43 O ATOM 8658 O2P U B 460 -891.818 -39.576 105.875 1.00855.43 O ATOM 8659 O5* U B 460 -889.839 -38.991 104.462 1.00855.43 O ATOM 8660 C5* U B 460 -889.180 -38.492 103.297 1.00855.43 C ATOM 8661 C4* U B 460 -887.687 -38.624 103.459 1.00855.43 C ATOM 8662 O4* U B 460 -887.402 -39.975 103.895 1.00855.43 O ATOM 8663 C3* U B 460 -886.867 -38.427 102.198 1.00855.43 C ATOM 8664 O3* U B 460 -886.456 -37.068 102.054 1.00855.43 O ATOM 8665 C2* U B 460 -885.628 -39.272 102.478 1.00855.43 C ATOM 8666 O2* U B 460 -884.737 -38.557 103.299 1.00855.43 O ATOM 8667 C1* U B 460 -886.193 -40.416 103.321 1.00855.43 C ATOM 8668 N1 U B 460 -886.475 -41.660 102.590 1.00855.43 N ATOM 8669 C2 U B 460 -885.694 -42.764 102.857 1.00855.43 C ATOM 8670 O2 U B 460 -884.747 -42.740 103.629 1.00855.43 O ATOM 8671 N3 U B 460 -886.061 -43.904 102.187 1.00855.43 N ATOM 8672 C4 U B 460 -887.099 -44.037 101.288 1.00855.43 C ATOM 8673 O4 U B 460 -887.343 -45.147 100.810 1.00855.43 O ATOM 8674 C5 U B 460 -887.838 -42.843 101.042 1.00855.43 C ATOM 8675 C6 U B 460 -887.507 -41.722 101.683 1.00855.43 C ATOM 8676 P A B 461 -886.750 -36.264 100.695 1.00855.43 P ATOM 8677 O1P A B 461 -885.673 -36.622 99.734 1.00855.43 O ATOM 8678 O2P A B 461 -886.970 -34.839 101.045 1.00855.43 O ATOM 8679 O5* A B 461 -888.117 -36.861 100.141 1.00855.43 O ATOM 8680 C5* A B 461 -888.184 -37.555 98.894 1.00855.43 C ATOM 8681 C4* A B 461 -889.408 -37.110 98.127 1.00855.43 C ATOM 8682 O4* A B 461 -890.577 -37.386 98.936 1.00855.43 O ATOM 8683 C3* A B 461 -889.452 -35.608 97.879 1.00855.43 C ATOM 8684 O3* A B 461 -888.812 -35.252 96.657 1.00855.43 O ATOM 8685 C2* A B 461 -890.944 -35.310 97.828 1.00855.43 C ATOM 8686 O2* A B 461 -891.503 -35.569 96.556 1.00855.43 O ATOM 8687 C1* A B 461 -891.493 -36.313 98.844 1.00855.43 C ATOM 8688 N9 A B 461 -891.660 -35.742 100.183 1.00855.43 N ATOM 8689 C8 A B 461 -891.357 -36.328 101.389 1.00855.43 C ATOM 8690 N7 A B 461 -891.627 -35.575 102.427 1.00855.43 N ATOM 8691 C5 A B 461 -892.142 -34.411 101.868 1.00855.43 C ATOM 8692 C6 A B 461 -892.623 -33.218 102.437 1.00855.43 C ATOM 8693 N6 A B 461 -892.667 -32.980 103.749 1.00855.43 N ATOM 8694 N1 A B 461 -893.071 -32.259 101.600 1.00855.43 N ATOM 8695 C2 A B 461 -893.031 -32.489 100.284 1.00855.43 C ATOM 8696 N3 A B 461 -892.602 -33.563 99.630 1.00855.43 N ATOM 8697 C4 A B 461 -892.168 -34.502 100.488 1.00855.43 C ATOM 8698 P G B 462 -887.954 -33.899 96.574 1.00855.43 P ATOM 8699 O1P G B 462 -887.990 -33.427 95.165 1.00855.43 O ATOM 8700 O2P G B 462 -886.646 -34.172 97.223 1.00855.43 O ATOM 8701 O5* G B 462 -888.763 -32.847 97.466 1.00855.43 O ATOM 8702 C5* G B 462 -889.637 -31.896 96.854 1.00855.43 C ATOM 8703 C4* G B 462 -889.937 -30.751 97.801 1.00855.43 C ATOM 8704 O4* G B 462 -890.633 -31.242 98.973 1.00855.43 O ATOM 8705 C3* G B 462 -888.764 -29.955 98.355 1.00855.43 C ATOM 8706 O3* G B 462 -888.312 -28.961 97.437 1.00855.43 O ATOM 8707 C2* G B 462 -889.349 -29.341 99.623 1.00855.43 C ATOM 8708 O2* G B 462 -890.069 -28.150 99.369 1.00855.43 O ATOM 8709 C1* G B 462 -890.318 -30.428 100.091 1.00855.43 C ATOM 8710 N9 G B 462 -889.773 -31.278 101.144 1.00855.43 N ATOM 8711 C8 G B 462 -888.872 -32.305 100.994 1.00855.43 C ATOM 8712 N7 G B 462 -888.582 -32.899 102.118 1.00855.43 N ATOM 8713 C5 G B 462 -889.329 -32.219 103.070 1.00855.43 C ATOM 8714 C6 G B 462 -889.428 -32.417 104.470 1.00855.43 C ATOM 8715 O6 G B 462 -888.862 -33.263 105.172 1.00855.43 O ATOM 8716 N1 G B 462 -890.299 -31.502 105.054 1.00855.43 N ATOM 8717 C2 G B 462 -890.988 -30.526 104.381 1.00855.43 C ATOM 8718 N2 G B 462 -891.777 -29.738 105.126 1.00855.43 N ATOM 8719 N3 G B 462 -890.908 -30.335 103.072 1.00855.43 N ATOM 8720 C4 G B 462 -890.064 -31.211 102.486 1.00855.43 C ATOM 8721 P C B 463 -886.954 -28.136 97.720 1.00855.43 P ATOM 8722 O1P C B 463 -887.330 -26.701 97.786 1.00855.43 O ATOM 8723 O2P C B 463 -885.927 -28.574 96.744 1.00855.43 O ATOM 8724 O5* C B 463 -886.474 -28.564 99.179 1.00855.43 O ATOM 8725 C5* C B 463 -886.506 -27.624 100.249 1.00855.43 C ATOM 8726 C4* C B 463 -885.281 -27.763 101.125 1.00855.43 C ATOM 8727 O4* C B 463 -885.129 -26.540 101.879 1.00855.43 O ATOM 8728 C3* C B 463 -885.290 -28.870 102.172 1.00855.43 C ATOM 8729 O3* C B 463 -884.838 -30.118 101.648 1.00855.43 O ATOM 8730 C2* C B 463 -884.336 -28.332 103.237 1.00855.43 C ATOM 8731 O2* C B 463 -882.980 -28.610 102.942 1.00855.43 O ATOM 8732 C1* C B 463 -884.564 -26.819 103.141 1.00855.43 C ATOM 8733 N1 C B 463 -885.467 -26.262 104.164 1.00855.43 N ATOM 8734 C2 C B 463 -884.994 -25.261 105.011 1.00855.43 C ATOM 8735 O2 C B 463 -883.819 -24.879 104.894 1.00855.43 O ATOM 8736 N3 C B 463 -885.827 -24.729 105.936 1.00855.43 N ATOM 8737 C4 C B 463 -887.083 -25.172 106.035 1.00855.43 C ATOM 8738 N4 C B 463 -887.871 -24.619 106.960 1.00855.43 N ATOM 8739 C5 C B 463 -887.588 -26.199 105.186 1.00855.43 C ATOM 8740 C6 C B 463 -886.753 -26.712 104.277 1.00855.43 C ATOM 8741 P G B 464 -884.916 -31.451 102.551 1.00855.43 P ATOM 8742 O1P G B 464 -884.557 -32.592 101.674 1.00855.43 O ATOM 8743 O2P G B 464 -886.216 -31.452 103.269 1.00855.43 O ATOM 8744 O5* G B 464 -883.753 -31.274 103.624 1.00855.43 O ATOM 8745 C5* G B 464 -882.946 -32.382 104.028 1.00855.43 C ATOM 8746 C4* G B 464 -882.614 -32.258 105.494 1.00855.43 C ATOM 8747 O4* G B 464 -881.555 -31.287 105.656 1.00855.43 O ATOM 8748 C3* G B 464 -883.702 -31.734 106.393 1.00855.43 C ATOM 8749 O3* G B 464 -884.620 -32.770 106.724 1.00855.43 O ATOM 8750 C2* G B 464 -882.941 -31.170 107.587 1.00855.43 C ATOM 8751 O2* G B 464 -882.636 -32.157 108.553 1.00855.43 O ATOM 8752 C1* G B 464 -881.651 -30.674 106.928 1.00855.43 C ATOM 8753 N9 G B 464 -881.607 -29.235 106.705 1.00855.43 N ATOM 8754 C8 G B 464 -881.435 -28.608 105.493 1.00855.43 C ATOM 8755 N7 G B 464 -881.407 -27.308 105.584 1.00855.43 N ATOM 8756 C5 G B 464 -881.571 -27.058 106.939 1.00855.43 C ATOM 8757 C6 G B 464 -881.614 -25.829 107.643 1.00855.43 C ATOM 8758 O6 G B 464 -881.511 -24.678 107.197 1.00855.43 O ATOM 8759 N1 G B 464 -881.796 -26.028 109.006 1.00855.43 N ATOM 8760 C2 G B 464 -881.922 -27.253 109.616 1.00855.43 C ATOM 8761 N2 G B 464 -882.100 -27.234 110.941 1.00855.43 N ATOM 8762 N3 G B 464 -881.876 -28.408 108.971 1.00855.43 N ATOM 8763 C4 G B 464 -881.701 -28.237 107.643 1.00855.43 C ATOM 8764 P C B 465 -886.158 -32.413 107.008 1.00855.43 P ATOM 8765 O1P C B 465 -886.808 -33.650 107.512 1.00855.43 O ATOM 8766 O2P C B 465 -886.715 -31.722 105.816 1.00855.43 O ATOM 8767 O5* C B 465 -886.079 -31.373 108.209 1.00855.43 O ATOM 8768 C5* C B 465 -885.920 -31.829 109.547 1.00855.43 C ATOM 8769 C4* C B 465 -886.484 -30.821 110.516 1.00855.43 C ATOM 8770 O4* C B 465 -885.602 -29.677 110.640 1.00855.43 O ATOM 8771 C3* C B 465 -887.800 -30.174 110.128 1.00855.43 C ATOM 8772 O3* C B 465 -888.873 -31.046 110.446 1.00855.43 O ATOM 8773 C2* C B 465 -887.834 -28.883 110.943 1.00855.43 C ATOM 8774 O2* C B 465 -888.397 -29.065 112.226 1.00855.43 O ATOM 8775 C1* C B 465 -886.344 -28.557 111.083 1.00855.43 C ATOM 8776 N1 C B 465 -885.917 -27.377 110.319 1.00855.43 N ATOM 8777 C2 C B 465 -886.110 -26.109 110.880 1.00855.43 C ATOM 8778 O2 C B 465 -886.628 -26.025 112.003 1.00855.43 O ATOM 8779 N3 C B 465 -885.724 -25.017 110.189 1.00855.43 N ATOM 8780 C4 C B 465 -885.165 -25.152 108.985 1.00855.43 C ATOM 8781 N4 C B 465 -884.798 -24.043 108.337 1.00855.43 N ATOM 8782 C5 C B 465 -884.954 -26.430 108.391 1.00855.43 C ATOM 8783 C6 C B 465 -885.343 -27.507 109.086 1.00855.43 C ATOM 8784 P A B 466 -890.093 -31.196 109.419 1.00855.43 P ATOM 8785 O1P A B 466 -889.902 -32.463 108.667 1.00855.43 O ATOM 8786 O2P A B 466 -890.241 -29.917 108.680 1.00855.43 O ATOM 8787 O5* A B 466 -891.357 -31.361 110.367 1.00855.43 O ATOM 8788 C5* A B 466 -891.781 -30.309 111.225 1.00855.43 C ATOM 8789 C4* A B 466 -893.243 -30.050 111.003 1.00855.43 C ATOM 8790 O4* A B 466 -893.457 -29.795 109.598 1.00855.43 O ATOM 8791 C3* A B 466 -894.143 -31.230 111.286 1.00855.43 C ATOM 8792 O3* A B 466 -894.372 -31.246 112.702 1.00855.43 O ATOM 8793 C2* A B 466 -895.359 -30.996 110.393 1.00855.43 C ATOM 8794 O2* A B 466 -896.350 -30.200 111.015 1.00855.43 O ATOM 8795 C1* A B 466 -894.750 -30.208 109.224 1.00855.43 C ATOM 8796 N9 A B 466 -894.619 -30.859 107.919 1.00855.43 N ATOM 8797 C8 A B 466 -893.500 -31.431 107.365 1.00855.43 C ATOM 8798 N7 A B 466 -893.672 -31.848 106.133 1.00855.43 N ATOM 8799 C5 A B 466 -895.002 -31.548 105.863 1.00855.43 C ATOM 8800 C6 A B 466 -895.807 -31.729 104.713 1.00855.43 C ATOM 8801 N6 A B 466 -895.379 -32.263 103.566 1.00855.43 N ATOM 8802 N1 A B 466 -897.093 -31.322 104.783 1.00855.43 N ATOM 8803 C2 A B 466 -897.529 -30.772 105.919 1.00855.43 C ATOM 8804 N3 A B 466 -896.874 -30.538 107.054 1.00855.43 N ATOM 8805 C4 A B 466 -895.598 -30.956 106.958 1.00855.43 C ATOM 8806 P U B 467 -893.751 -32.404 113.626 1.00855.43 P ATOM 8807 O1P U B 467 -892.272 -32.293 113.528 1.00855.43 O ATOM 8808 O2P U B 467 -894.410 -33.707 113.348 1.00855.43 O ATOM 8809 O5* U B 467 -894.173 -31.940 115.094 1.00855.43 O ATOM 8810 C5* U B 467 -893.325 -32.177 116.220 1.00855.43 C ATOM 8811 C4* U B 467 -892.214 -31.150 116.275 1.00855.43 C ATOM 8812 O4* U B 467 -892.755 -29.817 116.067 1.00855.43 O ATOM 8813 C3* U B 467 -891.444 -31.040 117.579 1.00855.43 C ATOM 8814 O3* U B 467 -890.419 -32.024 117.631 1.00855.43 O ATOM 8815 C2* U B 467 -890.878 -29.627 117.526 1.00855.43 C ATOM 8816 O2* U B 467 -889.677 -29.547 116.787 1.00855.43 O ATOM 8817 C1* U B 467 -891.986 -28.871 116.791 1.00855.43 C ATOM 8818 N1 U B 467 -892.885 -28.152 117.704 1.00855.43 N ATOM 8819 C2 U B 467 -892.361 -27.091 118.419 1.00855.43 C ATOM 8820 O2 U B 467 -891.199 -26.735 118.325 1.00855.43 O ATOM 8821 N3 U B 467 -893.251 -26.462 119.254 1.00855.43 N ATOM 8822 C4 U B 467 -894.583 -26.778 119.441 1.00855.43 C ATOM 8823 O4 U B 467 -895.260 -26.115 120.228 1.00855.43 O ATOM 8824 C5 U B 467 -895.047 -27.885 118.663 1.00855.43 C ATOM 8825 C6 U B 467 -894.202 -28.518 117.843 1.00855.43 C ATOM 8826 P A B 468 -889.388 -32.032 118.864 1.00855.43 P ATOM 8827 O1P A B 468 -889.113 -33.447 119.213 1.00855.43 O ATOM 8828 O2P A B 468 -889.898 -31.105 119.906 1.00855.43 O ATOM 8829 O5* A B 468 -888.052 -31.411 118.262 1.00855.43 O ATOM 8830 C5* A B 468 -886.927 -31.178 119.100 1.00855.43 C ATOM 8831 C4* A B 468 -885.646 -31.418 118.337 1.00855.43 C ATOM 8832 O4* A B 468 -885.700 -32.698 117.670 1.00855.43 O ATOM 8833 C3* A B 468 -885.222 -30.443 117.230 1.00855.43 C ATOM 8834 O3* A B 468 -884.599 -29.274 117.730 1.00855.43 O ATOM 8835 C2* A B 468 -884.221 -31.279 116.437 1.00855.43 C ATOM 8836 O2* A B 468 -882.930 -31.233 116.999 1.00855.43 O ATOM 8837 C1* A B 468 -884.764 -32.698 116.615 1.00855.43 C ATOM 8838 N9 A B 468 -885.349 -33.336 115.440 1.00855.43 N ATOM 8839 C8 A B 468 -886.595 -33.889 115.286 1.00855.43 C ATOM 8840 N7 A B 468 -886.781 -34.455 114.115 1.00855.43 N ATOM 8841 C5 A B 468 -885.580 -34.244 113.451 1.00855.43 C ATOM 8842 C6 A B 468 -885.128 -34.614 112.170 1.00855.43 C ATOM 8843 N6 A B 468 -885.852 -35.322 111.304 1.00855.43 N ATOM 8844 N1 A B 468 -883.886 -34.231 111.810 1.00855.43 N ATOM 8845 C2 A B 468 -883.147 -33.539 112.687 1.00855.43 C ATOM 8846 N3 A B 468 -883.456 -33.147 113.919 1.00855.43 N ATOM 8847 C4 A B 468 -884.700 -33.536 114.245 1.00855.43 C ATOM 8848 P G B 469 -884.534 -27.946 116.838 1.00855.43 P ATOM 8849 O1P G B 469 -883.863 -26.999 117.749 1.00855.43 O ATOM 8850 O2P G B 469 -885.884 -27.628 116.308 1.00855.43 O ATOM 8851 O5* G B 469 -883.571 -28.313 115.618 1.00855.43 O ATOM 8852 C5* G B 469 -882.189 -28.596 115.828 1.00855.43 C ATOM 8853 C4* G B 469 -881.703 -29.622 114.834 1.00855.43 C ATOM 8854 O4* G B 469 -881.655 -29.067 113.493 1.00855.43 O ATOM 8855 C3* G B 469 -880.314 -30.172 115.084 1.00855.43 C ATOM 8856 O3* G B 469 -880.368 -31.237 116.012 1.00855.43 O ATOM 8857 C2* G B 469 -879.903 -30.672 113.706 1.00855.43 C ATOM 8858 O2* G B 469 -880.425 -31.953 113.419 1.00855.43 O ATOM 8859 C1* G B 469 -880.563 -29.646 112.790 1.00855.43 C ATOM 8860 N9 G B 469 -879.637 -28.601 112.362 1.00855.43 N ATOM 8861 C8 G B 469 -879.114 -27.576 113.115 1.00855.43 C ATOM 8862 N7 G B 469 -878.290 -26.815 112.437 1.00855.43 N ATOM 8863 C5 G B 469 -878.278 -27.372 111.163 1.00855.43 C ATOM 8864 C6 G B 469 -877.575 -26.987 109.983 1.00855.43 C ATOM 8865 O6 G B 469 -876.810 -26.044 109.809 1.00855.43 O ATOM 8866 N1 G B 469 -877.846 -27.837 108.925 1.00855.43 N ATOM 8867 C2 G B 469 -878.688 -28.913 108.976 1.00855.43 C ATOM 8868 N2 G B 469 -878.811 -29.609 107.840 1.00855.43 N ATOM 8869 N3 G B 469 -879.357 -29.282 110.055 1.00855.43 N ATOM 8870 C4 G B 469 -879.103 -28.472 111.106 1.00855.43 C ATOM 8871 P U B 470 -879.623 -31.075 117.412 1.00855.43 P ATOM 8872 O1P U B 470 -879.997 -29.730 117.912 1.00855.43 O ATOM 8873 O2P U B 470 -878.199 -31.424 117.205 1.00855.43 O ATOM 8874 O5* U B 470 -880.291 -32.156 118.364 1.00855.43 O ATOM 8875 C5* U B 470 -881.190 -31.760 119.384 1.00855.43 C ATOM 8876 C4* U B 470 -881.384 -32.895 120.346 1.00855.43 C ATOM 8877 O4* U B 470 -882.134 -33.950 119.691 1.00855.43 O ATOM 8878 C3* U B 470 -880.165 -33.614 120.872 1.00855.43 C ATOM 8879 O3* U B 470 -879.558 -32.868 121.919 1.00855.43 O ATOM 8880 C2* U B 470 -880.733 -34.948 121.333 1.00855.43 C ATOM 8881 O2* U B 470 -881.325 -34.875 122.613 1.00855.43 O ATOM 8882 C1* U B 470 -881.813 -35.197 120.280 1.00855.43 C ATOM 8883 N1 U B 470 -881.336 -36.104 119.224 1.00855.43 N ATOM 8884 C2 U B 470 -881.374 -37.461 119.483 1.00855.43 C ATOM 8885 O2 U B 470 -881.813 -37.922 120.524 1.00855.43 O ATOM 8886 N3 U B 470 -880.880 -38.257 118.483 1.00855.43 N ATOM 8887 C4 U B 470 -880.369 -37.845 117.270 1.00855.43 C ATOM 8888 O4 U B 470 -879.922 -38.682 116.483 1.00855.43 O ATOM 8889 C5 U B 470 -880.379 -36.430 117.070 1.00855.43 C ATOM 8890 C6 U B 470 -880.852 -35.628 118.028 1.00855.43 C ATOM 8891 P A B 471 -877.952 -32.819 122.017 1.00855.43 P ATOM 8892 O1P A B 471 -877.602 -32.109 123.272 1.00855.43 O ATOM 8893 O2P A B 471 -877.424 -32.325 120.723 1.00855.43 O ATOM 8894 O5* A B 471 -877.543 -34.349 122.172 1.00855.43 O ATOM 8895 C5* A B 471 -877.974 -35.104 123.301 1.00855.43 C ATOM 8896 C4* A B 471 -877.802 -36.583 123.057 1.00855.43 C ATOM 8897 O4* A B 471 -878.547 -36.995 121.882 1.00855.43 O ATOM 8898 C3* A B 471 -876.383 -37.042 122.783 1.00855.43 C ATOM 8899 O3* A B 471 -875.671 -37.239 123.996 1.00855.43 O ATOM 8900 C2* A B 471 -876.593 -38.351 122.030 1.00855.43 C ATOM 8901 O2* A B 471 -876.816 -39.445 122.898 1.00855.43 O ATOM 8902 C1* A B 471 -877.867 -38.059 121.237 1.00855.43 C ATOM 8903 N9 A B 471 -877.574 -37.665 119.861 1.00855.43 N ATOM 8904 C8 A B 471 -877.494 -36.406 119.323 1.00855.43 C ATOM 8905 N7 A B 471 -877.185 -36.394 118.050 1.00855.43 N ATOM 8906 C5 A B 471 -877.057 -37.740 117.723 1.00855.43 C ATOM 8907 C6 A B 471 -876.737 -38.399 116.522 1.00855.43 C ATOM 8908 N6 A B 471 -876.474 -37.771 115.373 1.00855.43 N ATOM 8909 N1 A B 471 -876.695 -39.749 116.542 1.00855.43 N ATOM 8910 C2 A B 471 -876.954 -40.382 117.691 1.00855.43 C ATOM 8911 N3 A B 471 -877.264 -39.875 118.883 1.00855.43 N ATOM 8912 C4 A B 471 -877.297 -38.532 118.831 1.00855.43 C ATOM 8913 P C B 472 -874.267 -36.491 124.221 1.00855.43 P ATOM 8914 O1P C B 472 -873.349 -37.456 124.874 1.00855.43 O ATOM 8915 O2P C B 472 -874.532 -35.182 124.866 1.00855.43 O ATOM 8916 O5* C B 472 -873.735 -36.220 122.744 1.00855.43 O ATOM 8917 C5* C B 472 -872.889 -37.157 122.087 1.00855.43 C ATOM 8918 C4* C B 472 -873.419 -37.463 120.703 1.00855.43 C ATOM 8919 O4* C B 472 -874.110 -36.297 120.180 1.00855.43 O ATOM 8920 C3* C B 472 -872.383 -37.798 119.655 1.00855.43 C ATOM 8921 O3* C B 472 -872.072 -39.182 119.710 1.00855.43 O ATOM 8922 C2* C B 472 -873.073 -37.418 118.353 1.00855.43 C ATOM 8923 O2* C B 472 -873.933 -38.431 117.873 1.00855.43 O ATOM 8924 C1* C B 472 -873.890 -36.197 118.780 1.00855.43 C ATOM 8925 N1 C B 472 -873.162 -34.949 118.515 1.00855.43 N ATOM 8926 C2 C B 472 -873.193 -34.406 117.227 1.00855.43 C ATOM 8927 O2 C B 472 -873.850 -34.981 116.348 1.00855.43 O ATOM 8928 N3 C B 472 -872.502 -33.272 116.967 1.00855.43 N ATOM 8929 C4 C B 472 -871.804 -32.680 117.940 1.00855.43 C ATOM 8930 N4 C B 472 -871.131 -31.567 117.637 1.00855.43 N ATOM 8931 C5 C B 472 -871.766 -33.203 119.265 1.00855.43 C ATOM 8932 C6 C B 472 -872.455 -34.327 119.506 1.00855.43 C ATOM 8933 P C B 473 -870.628 -39.679 119.210 1.00855.43 P ATOM 8934 O1P C B 473 -870.640 -41.163 119.198 1.00855.43 O ATOM 8935 O2P C B 473 -869.591 -38.957 119.992 1.00855.43 O ATOM 8936 O5* C B 473 -870.557 -39.170 117.702 1.00855.43 O ATOM 8937 C5* C B 473 -870.605 -40.097 116.624 1.00855.43 C ATOM 8938 C4* C B 473 -869.734 -39.628 115.484 1.00855.43 C ATOM 8939 O4* C B 473 -870.210 -38.356 114.969 1.00855.43 O ATOM 8940 C3* C B 473 -868.271 -39.384 115.827 1.00855.43 C ATOM 8941 O3* C B 473 -867.509 -40.580 115.808 1.00855.43 O ATOM 8942 C2* C B 473 -867.841 -38.397 114.748 1.00855.43 C ATOM 8943 O2* C B 473 -867.511 -39.035 113.531 1.00855.43 O ATOM 8944 C1* C B 473 -869.106 -37.558 114.573 1.00855.43 C ATOM 8945 N1 C B 473 -869.061 -36.359 115.422 1.00855.43 N ATOM 8946 C2 C B 473 -868.352 -35.243 114.970 1.00855.43 C ATOM 8947 O2 C B 473 -867.832 -35.277 113.846 1.00855.43 O ATOM 8948 N3 C B 473 -868.258 -34.151 115.765 1.00855.43 N ATOM 8949 C4 C B 473 -868.842 -34.151 116.968 1.00855.43 C ATOM 8950 N4 C B 473 -868.702 -33.062 117.728 1.00855.43 N ATOM 8951 C5 C B 473 -869.587 -35.268 117.441 1.00855.43 C ATOM 8952 C6 C B 473 -869.672 -36.340 116.644 1.00855.43 C ATOM 8953 P G B 474 -866.420 -40.833 116.963 1.00855.43 P ATOM 8954 O1P G B 474 -865.414 -41.794 116.440 1.00855.43 O ATOM 8955 O2P G B 474 -867.143 -41.140 118.222 1.00855.43 O ATOM 8956 O5* G B 474 -865.717 -39.411 117.127 1.00855.43 O ATOM 8957 C5* G B 474 -864.728 -38.986 116.200 1.00855.43 C ATOM 8958 C4* G B 474 -864.150 -37.648 116.606 1.00855.43 C ATOM 8959 O4* G B 474 -865.198 -36.645 116.658 1.00855.43 O ATOM 8960 C3* G B 474 -863.480 -37.532 117.958 1.00855.43 C ATOM 8961 O3* G B 474 -862.159 -38.057 117.913 1.00855.43 O ATOM 8962 C2* G B 474 -863.504 -36.031 118.215 1.00855.43 C ATOM 8963 O2* G B 474 -862.448 -35.357 117.564 1.00855.43 O ATOM 8964 C1* G B 474 -864.836 -35.628 117.578 1.00855.43 C ATOM 8965 N9 G B 474 -865.888 -35.509 118.581 1.00855.43 N ATOM 8966 C8 G B 474 -866.648 -36.520 119.121 1.00855.43 C ATOM 8967 N7 G B 474 -867.489 -36.099 120.025 1.00855.43 N ATOM 8968 C5 G B 474 -867.278 -34.728 120.082 1.00855.43 C ATOM 8969 C6 G B 474 -867.892 -33.733 120.886 1.00855.43 C ATOM 8970 O6 G B 474 -868.776 -33.868 121.740 1.00855.43 O ATOM 8971 N1 G B 474 -867.380 -32.466 120.617 1.00855.43 N ATOM 8972 C2 G B 474 -866.401 -32.192 119.695 1.00855.43 C ATOM 8973 N2 G B 474 -866.048 -30.906 119.571 1.00855.43 N ATOM 8974 N3 G B 474 -865.817 -33.110 118.944 1.00855.43 N ATOM 8975 C4 G B 474 -866.300 -34.347 119.187 1.00855.43 C ATOM 8976 P U B 475 -861.200 -37.892 119.193 1.00855.43 P ATOM 8977 O1P U B 475 -860.069 -38.839 119.031 1.00855.43 O ATOM 8978 O2P U B 475 -862.043 -37.956 120.411 1.00855.43 O ATOM 8979 O5* U B 475 -860.633 -36.409 119.061 1.00855.43 O ATOM 8980 C5* U B 475 -859.615 -35.933 119.940 1.00855.43 C ATOM 8981 C4* U B 475 -858.881 -34.780 119.298 1.00855.43 C ATOM 8982 O4* U B 475 -858.170 -35.267 118.137 1.00855.43 O ATOM 8983 C3* U B 475 -859.773 -33.663 118.774 1.00855.43 C ATOM 8984 O3* U B 475 -860.073 -32.712 119.791 1.00855.43 O ATOM 8985 C2* U B 475 -858.943 -33.067 117.645 1.00855.43 C ATOM 8986 O2* U B 475 -857.985 -32.134 118.103 1.00855.43 O ATOM 8987 C1* U B 475 -858.222 -34.304 117.103 1.00855.43 C ATOM 8988 N1 U B 475 -858.870 -34.929 115.943 1.00855.43 N ATOM 8989 C2 U B 475 -858.528 -34.479 114.681 1.00855.43 C ATOM 8990 O2 U B 475 -857.739 -33.569 114.494 1.00855.43 O ATOM 8991 N3 U B 475 -859.145 -35.139 113.645 1.00855.43 N ATOM 8992 C4 U B 475 -860.051 -36.175 113.742 1.00855.43 C ATOM 8993 O4 U B 475 -860.517 -36.671 112.715 1.00855.43 O ATOM 8994 C5 U B 475 -860.366 -36.569 115.079 1.00855.43 C ATOM 8995 C6 U B 475 -859.781 -35.949 116.107 1.00855.43 C ATOM 8996 P G B 476 -861.538 -32.051 119.859 1.00855.43 P ATOM 8997 O1P G B 476 -861.676 -31.412 121.191 1.00855.43 O ATOM 8998 O2P G B 476 -862.525 -33.072 119.428 1.00855.43 O ATOM 8999 O5* G B 476 -861.499 -30.904 118.755 1.00855.43 O ATOM 9000 C5* G B 476 -861.026 -29.601 119.079 1.00855.43 C ATOM 9001 C4* G B 476 -860.980 -28.750 117.831 1.00855.43 C ATOM 9002 O4* G B 476 -860.095 -29.362 116.868 1.00855.43 O ATOM 9003 C3* G B 476 -862.289 -28.542 117.066 1.00855.43 C ATOM 9004 O3* G B 476 -863.116 -27.527 117.634 1.00855.43 O ATOM 9005 C2* G B 476 -861.804 -28.211 115.654 1.00855.43 C ATOM 9006 O2* G B 476 -861.494 -26.856 115.413 1.00855.43 O ATOM 9007 C1* G B 476 -860.518 -29.036 115.557 1.00855.43 C ATOM 9008 N9 G B 476 -860.707 -30.277 114.817 1.00855.43 N ATOM 9009 C8 G B 476 -861.614 -31.272 115.085 1.00855.43 C ATOM 9010 N7 G B 476 -861.557 -32.260 114.236 1.00855.43 N ATOM 9011 C5 G B 476 -860.550 -31.894 113.356 1.00855.43 C ATOM 9012 C6 G B 476 -860.032 -32.564 112.221 1.00855.43 C ATOM 9013 O6 G B 476 -860.379 -33.649 111.744 1.00855.43 O ATOM 9014 N1 G B 476 -859.005 -31.837 111.623 1.00855.43 N ATOM 9015 C2 G B 476 -858.539 -30.621 112.057 1.00855.43 C ATOM 9016 N2 G B 476 -857.538 -30.082 111.350 1.00855.43 N ATOM 9017 N3 G B 476 -859.016 -29.986 113.113 1.00855.43 N ATOM 9018 C4 G B 476 -860.011 -30.672 113.710 1.00855.43 C ATOM 9019 P A B 477 -864.712 -27.625 117.514 1.00855.43 P ATOM 9020 O1P A B 477 -865.276 -27.033 118.754 1.00855.43 O ATOM 9021 O2P A B 477 -865.075 -29.010 117.129 1.00855.43 O ATOM 9022 O5* A B 477 -865.072 -26.653 116.303 1.00855.43 O ATOM 9023 C5* A B 477 -865.090 -25.238 116.481 1.00855.43 C ATOM 9024 C4* A B 477 -864.564 -24.552 115.243 1.00855.43 C ATOM 9025 O4* A B 477 -863.319 -25.178 114.846 1.00855.43 O ATOM 9026 C3* A B 477 -865.459 -24.646 114.023 1.00855.43 C ATOM 9027 O3* A B 477 -866.408 -23.585 114.041 1.00855.43 O ATOM 9028 C2* A B 477 -864.474 -24.527 112.871 1.00855.43 C ATOM 9029 O2* A B 477 -864.137 -23.186 112.574 1.00855.43 O ATOM 9030 C1* A B 477 -863.255 -25.258 113.434 1.00855.43 C ATOM 9031 N9 A B 477 -863.278 -26.671 113.068 1.00855.43 N ATOM 9032 C8 A B 477 -864.200 -27.613 113.455 1.00855.43 C ATOM 9033 N7 A B 477 -863.996 -28.799 112.939 1.00855.43 N ATOM 9034 C5 A B 477 -862.858 -28.631 112.164 1.00855.43 C ATOM 9035 C6 A B 477 -862.131 -29.515 111.352 1.00855.43 C ATOM 9036 N6 A B 477 -862.465 -30.795 111.169 1.00855.43 N ATOM 9037 N1 A B 477 -861.039 -29.033 110.720 1.00855.43 N ATOM 9038 C2 A B 477 -860.712 -27.747 110.897 1.00855.43 C ATOM 9039 N3 A B 477 -861.320 -26.818 111.626 1.00855.43 N ATOM 9040 C4 A B 477 -862.398 -27.329 112.243 1.00855.43 C ATOM 9041 P G B 478 -867.380 -23.363 112.777 1.00855.43 P ATOM 9042 O1P G B 478 -866.701 -22.414 111.860 1.00855.43 O ATOM 9043 O2P G B 478 -868.740 -23.050 113.285 1.00855.43 O ATOM 9044 O5* G B 478 -867.431 -24.788 112.061 1.00855.43 O ATOM 9045 C5* G B 478 -867.202 -24.908 110.659 1.00855.43 C ATOM 9046 C4* G B 478 -867.143 -26.362 110.249 1.00855.43 C ATOM 9047 O4* G B 478 -866.232 -27.080 111.126 1.00855.43 O ATOM 9048 C3* G B 478 -868.440 -27.146 110.328 1.00855.43 C ATOM 9049 O3* G B 478 -869.254 -26.968 109.174 1.00855.43 O ATOM 9050 C2* G B 478 -867.949 -28.584 110.452 1.00855.43 C ATOM 9051 O2* G B 478 -867.605 -29.151 109.205 1.00855.43 O ATOM 9052 C1* G B 478 -866.689 -28.412 111.300 1.00855.43 C ATOM 9053 N9 G B 478 -866.995 -28.624 112.712 1.00855.43 N ATOM 9054 C8 G B 478 -867.547 -27.722 113.589 1.00855.43 C ATOM 9055 N7 G B 478 -867.767 -28.230 114.774 1.00855.43 N ATOM 9056 C5 G B 478 -867.317 -29.540 114.675 1.00855.43 C ATOM 9057 C6 G B 478 -867.311 -30.586 115.635 1.00855.43 C ATOM 9058 O6 G B 478 -867.728 -30.568 116.798 1.00855.43 O ATOM 9059 N1 G B 478 -866.757 -31.752 115.116 1.00855.43 N ATOM 9060 C2 G B 478 -866.279 -31.898 113.837 1.00855.43 C ATOM 9061 N2 G B 478 -865.779 -33.103 113.528 1.00855.43 N ATOM 9062 N3 G B 478 -866.292 -30.937 112.928 1.00855.43 N ATOM 9063 C4 G B 478 -866.821 -29.793 113.415 1.00855.43 C ATOM 9064 P G B 479 -870.703 -27.667 109.112 1.00855.43 P ATOM 9065 O1P G B 479 -871.401 -27.137 107.914 1.00855.43 O ATOM 9066 O2P G B 479 -871.340 -27.545 110.448 1.00855.43 O ATOM 9067 O5* G B 479 -870.383 -29.207 108.853 1.00855.43 O ATOM 9068 C5* G B 479 -870.581 -29.782 107.564 1.00855.43 C ATOM 9069 C4* G B 479 -871.083 -31.206 107.685 1.00855.43 C ATOM 9070 O4* G B 479 -870.090 -32.034 108.342 1.00855.43 O ATOM 9071 C3* G B 479 -872.355 -31.322 108.531 1.00855.43 C ATOM 9072 O3* G B 479 -873.547 -31.167 107.771 1.00855.43 O ATOM 9073 C2* G B 479 -872.235 -32.723 109.120 1.00855.43 C ATOM 9074 O2* G B 479 -872.697 -33.727 108.236 1.00855.43 O ATOM 9075 C1* G B 479 -870.724 -32.865 109.301 1.00855.43 C ATOM 9076 N9 G B 479 -870.289 -32.459 110.636 1.00855.43 N ATOM 9077 C8 G B 479 -869.317 -31.545 110.964 1.00855.43 C ATOM 9078 N7 G B 479 -869.163 -31.399 112.252 1.00855.43 N ATOM 9079 C5 G B 479 -870.089 -32.271 112.810 1.00855.43 C ATOM 9080 C6 G B 479 -870.395 -32.553 114.171 1.00855.43 C ATOM 9081 O6 G B 479 -869.888 -32.070 115.193 1.00855.43 O ATOM 9082 N1 G B 479 -871.404 -33.499 114.284 1.00855.43 N ATOM 9083 C2 G B 479 -872.041 -34.105 113.230 1.00855.43 C ATOM 9084 N2 G B 479 -872.992 -34.995 113.543 1.00855.43 N ATOM 9085 N3 G B 479 -871.769 -33.853 111.959 1.00855.43 N ATOM 9086 C4 G B 479 -870.790 -32.936 111.823 1.00855.43 C ATOM 9087 P G B 480 -874.868 -30.582 108.479 1.00855.43 P ATOM 9088 O1P G B 480 -875.631 -29.830 107.452 1.00855.43 O ATOM 9089 O2P G B 480 -874.458 -29.907 109.735 1.00855.43 O ATOM 9090 O5* G B 480 -875.702 -31.884 108.865 1.00855.43 O ATOM 9091 C5* G B 480 -875.742 -33.018 108.003 1.00855.43 C ATOM 9092 C4* G B 480 -876.178 -34.238 108.779 1.00855.43 C ATOM 9093 O4* G B 480 -875.185 -34.535 109.797 1.00855.43 O ATOM 9094 C3* G B 480 -877.462 -34.032 109.549 1.00855.43 C ATOM 9095 O3* G B 480 -878.581 -34.303 108.718 1.00855.43 O ATOM 9096 C2* G B 480 -877.323 -34.997 110.717 1.00855.43 C ATOM 9097 O2* G B 480 -877.663 -36.325 110.373 1.00855.43 O ATOM 9098 C1* G B 480 -875.827 -34.888 111.011 1.00855.43 C ATOM 9099 N9 G B 480 -875.571 -33.811 111.961 1.00855.43 N ATOM 9100 C8 G B 480 -874.787 -32.705 111.740 1.00855.43 C ATOM 9101 N7 G B 480 -874.771 -31.879 112.751 1.00855.43 N ATOM 9102 C5 G B 480 -875.584 -32.477 113.699 1.00855.43 C ATOM 9103 C6 G B 480 -875.948 -32.046 114.998 1.00855.43 C ATOM 9104 O6 G B 480 -875.622 -31.008 115.583 1.00855.43 O ATOM 9105 N1 G B 480 -876.788 -32.960 115.623 1.00855.43 N ATOM 9106 C2 G B 480 -877.220 -34.139 115.071 1.00855.43 C ATOM 9107 N2 G B 480 -878.017 -34.882 115.847 1.00855.43 N ATOM 9108 N3 G B 480 -876.897 -34.553 113.857 1.00855.43 N ATOM 9109 C4 G B 480 -876.079 -33.681 113.232 1.00855.43 C ATOM 9110 P A B 481 -879.804 -33.266 108.681 1.00855.43 P ATOM 9111 O1P A B 481 -880.519 -33.444 107.392 1.00855.43 O ATOM 9112 O2P A B 481 -879.288 -31.926 109.055 1.00855.43 O ATOM 9113 O5* A B 481 -880.757 -33.769 109.851 1.00855.43 O ATOM 9114 C5* A B 481 -881.563 -34.926 109.684 1.00855.43 C ATOM 9115 C4* A B 481 -880.733 -36.168 109.893 1.00855.43 C ATOM 9116 O4* A B 481 -880.318 -36.259 111.278 1.00855.43 O ATOM 9117 C3* A B 481 -881.447 -37.474 109.625 1.00855.43 C ATOM 9118 O3* A B 481 -881.399 -37.739 108.230 1.00855.43 O ATOM 9119 C2* A B 481 -880.665 -38.472 110.471 1.00855.43 C ATOM 9120 O2* A B 481 -879.497 -38.937 109.820 1.00855.43 O ATOM 9121 C1* A B 481 -880.276 -37.615 111.678 1.00855.43 C ATOM 9122 N9 A B 481 -881.195 -37.765 112.804 1.00855.43 N ATOM 9123 C8 A B 481 -882.077 -36.826 113.274 1.00855.43 C ATOM 9124 N7 A B 481 -882.778 -37.227 114.304 1.00855.43 N ATOM 9125 C5 A B 481 -882.327 -38.518 114.531 1.00855.43 C ATOM 9126 C6 A B 481 -882.675 -39.487 115.488 1.00855.43 C ATOM 9127 N6 A B 481 -883.595 -39.292 116.437 1.00855.43 N ATOM 9128 N1 A B 481 -882.037 -40.676 115.440 1.00855.43 N ATOM 9129 C2 A B 481 -881.114 -40.867 114.488 1.00855.43 C ATOM 9130 N3 A B 481 -880.699 -40.037 113.536 1.00855.43 N ATOM 9131 C4 A B 481 -881.353 -38.866 113.611 1.00855.43 C ATOM 9132 P A B 482 -882.741 -37.632 107.359 1.00855.43 P ATOM 9133 O1P A B 482 -882.379 -37.850 105.938 1.00855.43 O ATOM 9134 O2P A B 482 -883.451 -36.387 107.754 1.00855.43 O ATOM 9135 O5* A B 482 -883.610 -38.874 107.849 1.00855.43 O ATOM 9136 C5* A B 482 -883.222 -40.202 107.525 1.00855.43 C ATOM 9137 C4* A B 482 -883.785 -41.166 108.537 1.00855.43 C ATOM 9138 O4* A B 482 -883.274 -40.846 109.857 1.00855.43 O ATOM 9139 C3* A B 482 -885.292 -41.188 108.728 1.00855.43 C ATOM 9140 O3* A B 482 -885.945 -41.941 107.714 1.00855.43 O ATOM 9141 C2* A B 482 -885.440 -41.795 110.115 1.00855.43 C ATOM 9142 O2* A B 482 -885.352 -43.208 110.105 1.00855.43 O ATOM 9143 C1* A B 482 -884.228 -41.211 110.841 1.00855.43 C ATOM 9144 N9 A B 482 -884.580 -40.007 111.599 1.00855.43 N ATOM 9145 C8 A B 482 -884.383 -38.701 111.229 1.00855.43 C ATOM 9146 N7 A B 482 -884.820 -37.832 112.105 1.00855.43 N ATOM 9147 C5 A B 482 -885.335 -38.620 113.124 1.00855.43 C ATOM 9148 C6 A B 482 -885.948 -38.302 114.351 1.00855.43 C ATOM 9149 N6 A B 482 -886.158 -37.052 114.771 1.00855.43 N ATOM 9150 N1 A B 482 -886.348 -39.326 115.138 1.00855.43 N ATOM 9151 C2 A B 482 -886.140 -40.577 114.714 1.00855.43 C ATOM 9152 N3 A B 482 -885.574 -41.002 113.588 1.00855.43 N ATOM 9153 C4 A B 482 -885.191 -39.963 112.826 1.00855.43 C ATOM 9154 P A B 483 -887.267 -41.351 107.016 1.00855.43 P ATOM 9155 O1P A B 483 -887.786 -42.390 106.091 1.00855.43 O ATOM 9156 O2P A B 483 -886.959 -39.995 106.494 1.00855.43 O ATOM 9157 O5* A B 483 -888.294 -41.205 108.226 1.00855.43 O ATOM 9158 C5* A B 483 -888.688 -42.350 108.969 1.00855.43 C ATOM 9159 C4* A B 483 -889.295 -41.950 110.296 1.00855.43 C ATOM 9160 O4* A B 483 -888.381 -41.105 111.049 1.00855.43 O ATOM 9161 C3* A B 483 -890.597 -41.167 110.243 1.00855.43 C ATOM 9162 O3* A B 483 -891.729 -42.009 110.057 1.00855.43 O ATOM 9163 C2* A B 483 -890.614 -40.483 111.607 1.00855.43 C ATOM 9164 O2* A B 483 -891.098 -41.328 112.630 1.00855.43 O ATOM 9165 C1* A B 483 -889.131 -40.197 111.842 1.00855.43 C ATOM 9166 N9 A B 483 -888.764 -38.826 111.484 1.00855.43 N ATOM 9167 C8 A B 483 -887.863 -38.394 110.543 1.00855.43 C ATOM 9168 N7 A B 483 -887.784 -37.089 110.445 1.00855.43 N ATOM 9169 C5 A B 483 -888.691 -36.629 111.391 1.00855.43 C ATOM 9170 C6 A B 483 -889.083 -35.334 111.782 1.00855.43 C ATOM 9171 N6 A B 483 -888.589 -34.218 111.241 1.00855.43 N ATOM 9172 N1 A B 483 -890.010 -35.225 112.755 1.00855.43 N ATOM 9173 C2 A B 483 -890.509 -36.345 113.292 1.00855.43 C ATOM 9174 N3 A B 483 -890.226 -37.615 113.011 1.00855.43 N ATOM 9175 C4 A B 483 -889.298 -37.687 112.041 1.00855.43 C ATOM 9176 P G B 484 -892.961 -41.498 109.155 1.00855.43 P ATOM 9177 O1P G B 484 -893.379 -42.628 108.292 1.00855.43 O ATOM 9178 O2P G B 484 -892.570 -40.207 108.531 1.00855.43 O ATOM 9179 O5* G B 484 -894.133 -41.217 110.194 1.00855.43 O ATOM 9180 C5* G B 484 -893.865 -40.692 111.491 1.00855.43 C ATOM 9181 C4* G B 484 -894.556 -39.366 111.662 1.00855.43 C ATOM 9182 O4* G B 484 -894.305 -38.565 110.480 1.00855.43 O ATOM 9183 C3* G B 484 -896.055 -39.419 111.760 1.00855.43 C ATOM 9184 O3* G B 484 -896.401 -39.651 113.121 1.00855.43 O ATOM 9185 C2* G B 484 -896.487 -38.046 111.267 1.00855.43 C ATOM 9186 O2* G B 484 -896.397 -37.055 112.273 1.00855.43 O ATOM 9187 C1* G B 484 -895.441 -37.772 110.188 1.00855.43 C ATOM 9188 N9 G B 484 -895.909 -38.154 108.863 1.00855.43 N ATOM 9189 C8 G B 484 -895.378 -39.125 108.045 1.00855.43 C ATOM 9190 N7 G B 484 -896.025 -39.258 106.919 1.00855.43 N ATOM 9191 C5 G B 484 -897.042 -38.317 106.997 1.00855.43 C ATOM 9192 C6 G B 484 -898.068 -37.996 106.073 1.00855.43 C ATOM 9193 O6 G B 484 -898.291 -38.497 104.965 1.00855.43 O ATOM 9194 N1 G B 484 -898.885 -36.976 106.550 1.00855.43 N ATOM 9195 C2 G B 484 -898.737 -36.347 107.762 1.00855.43 C ATOM 9196 N2 G B 484 -899.623 -35.386 108.045 1.00855.43 N ATOM 9197 N3 G B 484 -897.787 -36.640 108.633 1.00855.43 N ATOM 9198 C4 G B 484 -896.985 -37.629 108.190 1.00855.43 C ATOM 9199 P G B 485 -897.424 -40.835 113.488 1.00855.43 P ATOM 9200 O1P G B 485 -897.807 -40.669 114.909 1.00855.43 O ATOM 9201 O2P G B 485 -896.828 -42.117 113.029 1.00855.43 O ATOM 9202 O5* G B 485 -898.706 -40.532 112.588 1.00855.43 O ATOM 9203 C5* G B 485 -899.529 -39.396 112.845 1.00855.43 C ATOM 9204 C4* G B 485 -900.789 -39.459 112.010 1.00855.43 C ATOM 9205 O4* G B 485 -900.473 -39.199 110.620 1.00855.43 O ATOM 9206 C3* G B 485 -901.487 -40.815 111.940 1.00855.43 C ATOM 9207 O3* G B 485 -902.331 -41.001 113.074 1.00855.43 O ATOM 9208 C2* G B 485 -902.296 -40.749 110.647 1.00855.43 C ATOM 9209 O2* G B 485 -903.582 -40.190 110.841 1.00855.43 O ATOM 9210 C1* G B 485 -901.462 -39.788 109.794 1.00855.43 C ATOM 9211 N9 G B 485 -900.793 -40.390 108.644 1.00855.43 N ATOM 9212 C8 G B 485 -899.761 -41.296 108.667 1.00855.43 C ATOM 9213 N7 G B 485 -899.333 -41.611 107.475 1.00855.43 N ATOM 9214 C5 G B 485 -900.135 -40.874 106.615 1.00855.43 C ATOM 9215 C6 G B 485 -900.122 -40.786 105.197 1.00855.43 C ATOM 9216 O6 G B 485 -899.365 -41.345 104.395 1.00855.43 O ATOM 9217 N1 G B 485 -901.116 -39.931 104.733 1.00855.43 N ATOM 9218 C2 G B 485 -901.997 -39.239 105.523 1.00855.43 C ATOM 9219 N2 G B 485 -902.886 -38.468 104.881 1.00855.43 N ATOM 9220 N3 G B 485 -902.006 -39.298 106.845 1.00855.43 N ATOM 9221 C4 G B 485 -901.055 -40.130 107.320 1.00855.43 C ATOM 9222 P U B 486 -902.865 -42.468 113.448 1.00855.43 P ATOM 9223 O1P U B 486 -903.240 -42.429 114.882 1.00855.43 O ATOM 9224 O2P U B 486 -901.881 -43.474 112.970 1.00855.43 O ATOM 9225 O5* U B 486 -904.203 -42.634 112.602 1.00855.43 O ATOM 9226 C5* U B 486 -904.723 -43.920 112.302 1.00855.43 C ATOM 9227 C4* U B 486 -906.066 -44.108 112.972 1.00855.43 C ATOM 9228 O4* U B 486 -905.909 -44.044 114.416 1.00855.43 O ATOM 9229 C3* U B 486 -907.093 -43.051 112.623 1.00855.43 C ATOM 9230 O3* U B 486 -907.819 -43.391 111.450 1.00855.43 O ATOM 9231 C2* U B 486 -907.988 -43.026 113.856 1.00855.43 C ATOM 9232 O2* U B 486 -908.996 -44.019 113.824 1.00855.43 O ATOM 9233 C1* U B 486 -906.999 -43.334 114.978 1.00855.43 C ATOM 9234 N1 U B 486 -906.492 -42.118 115.633 1.00855.43 N ATOM 9235 C2 U B 486 -906.633 -42.032 117.006 1.00855.43 C ATOM 9236 O2 U B 486 -907.130 -42.918 117.677 1.00855.43 O ATOM 9237 N3 U B 486 -906.161 -40.869 117.563 1.00855.43 N ATOM 9238 C4 U B 486 -905.580 -39.808 116.905 1.00855.43 C ATOM 9239 O4 U B 486 -905.233 -38.811 117.545 1.00855.43 O ATOM 9240 C5 U B 486 -905.465 -39.977 115.487 1.00855.43 C ATOM 9241 C6 U B 486 -905.914 -41.099 114.917 1.00855.43 C ATOM 9242 P G B 487 -908.403 -42.223 110.515 1.00855.43 P ATOM 9243 O1P G B 487 -908.586 -42.790 109.154 1.00855.43 O ATOM 9244 O2P G B 487 -907.565 -41.012 110.698 1.00855.43 O ATOM 9245 O5* G B 487 -909.843 -41.929 111.130 1.00855.43 O ATOM 9246 C5* G B 487 -910.995 -42.607 110.638 1.00855.43 C ATOM 9247 C4* G B 487 -912.166 -42.399 111.567 1.00855.43 C ATOM 9248 O4* G B 487 -911.818 -42.807 112.919 1.00855.43 O ATOM 9249 C3* G B 487 -912.649 -40.976 111.715 1.00855.43 C ATOM 9250 O3* G B 487 -913.508 -40.630 110.641 1.00855.43 O ATOM 9251 C2* G B 487 -913.356 -40.994 113.062 1.00855.43 C ATOM 9252 O2* G B 487 -914.678 -41.489 112.979 1.00855.43 O ATOM 9253 C1* G B 487 -912.484 -41.970 113.851 1.00855.43 C ATOM 9254 N9 G B 487 -911.478 -41.268 114.645 1.00855.43 N ATOM 9255 C8 G B 487 -910.404 -40.552 114.180 1.00855.43 C ATOM 9256 N7 G B 487 -909.698 -40.010 115.136 1.00855.43 N ATOM 9257 C5 G B 487 -910.345 -40.398 116.303 1.00855.43 C ATOM 9258 C6 G B 487 -910.043 -40.112 117.659 1.00855.43 C ATOM 9259 O6 G B 487 -909.116 -39.431 118.118 1.00855.43 O ATOM 9260 N1 G B 487 -910.955 -40.710 118.522 1.00855.43 N ATOM 9261 C2 G B 487 -912.023 -41.480 118.135 1.00855.43 C ATOM 9262 N2 G B 487 -912.789 -41.971 119.116 1.00855.43 N ATOM 9263 N3 G B 487 -912.316 -41.752 116.872 1.00855.43 N ATOM 9264 C4 G B 487 -911.440 -41.182 116.016 1.00855.43 C ATOM 9265 P A B 488 -913.405 -38.616 110.173 1.00856.49 P ATOM 9266 O1P A B 488 -914.610 -38.427 109.328 1.00856.49 O ATOM 9267 O2P A B 488 -912.057 -38.383 109.595 1.00856.49 O ATOM 9268 O5* A B 488 -913.557 -37.707 111.476 1.00856.49 O ATOM 9269 C5* A B 488 -913.283 -36.308 111.435 1.00856.49 C ATOM 9270 C4* A B 488 -913.983 -35.617 112.580 1.00856.49 C ATOM 9271 O4* A B 488 -915.393 -35.961 112.540 1.00856.49 O ATOM 9272 C3* A B 488 -913.537 -35.946 114.003 1.00856.49 C ATOM 9273 O3* A B 488 -912.418 -35.153 114.401 1.00856.49 O ATOM 9274 C2* A B 488 -914.783 -35.635 114.824 1.00856.49 C ATOM 9275 O2* A B 488 -914.892 -34.262 115.144 1.00856.49 O ATOM 9276 C1* A B 488 -915.908 -36.017 113.856 1.00856.49 C ATOM 9277 N9 A B 488 -916.463 -37.353 114.071 1.00856.49 N ATOM 9278 C8 A B 488 -916.393 -38.437 113.233 1.00856.49 C ATOM 9279 N7 A B 488 -917.008 -39.502 113.695 1.00856.49 N ATOM 9280 C5 A B 488 -917.515 -39.088 114.919 1.00856.49 C ATOM 9281 C6 A B 488 -918.272 -39.749 115.902 1.00856.49 C ATOM 9282 N6 A B 488 -918.668 -41.020 115.797 1.00856.49 N ATOM 9283 N1 A B 488 -918.606 -39.053 117.008 1.00856.49 N ATOM 9284 C2 A B 488 -918.207 -37.782 117.110 1.00856.49 C ATOM 9285 N3 A B 488 -917.497 -37.048 116.255 1.00856.49 N ATOM 9286 C4 A B 488 -917.178 -37.768 115.168 1.00856.49 C ATOM 9287 P A B 489 -911.488 -35.633 115.625 1.00856.49 P ATOM 9288 O1P A B 489 -910.761 -34.433 116.114 1.00856.49 O ATOM 9289 O2P A B 489 -910.722 -36.830 115.187 1.00856.49 O ATOM 9290 O5* A B 489 -912.514 -36.078 116.761 1.00856.49 O ATOM 9291 C5* A B 489 -912.881 -35.186 117.812 1.00856.49 C ATOM 9292 C4* A B 489 -913.544 -35.950 118.934 1.00856.49 C ATOM 9293 O4* A B 489 -914.744 -36.576 118.417 1.00856.49 O ATOM 9294 C3* A B 489 -912.742 -37.084 119.539 1.00856.49 C ATOM 9295 O3* A B 489 -911.910 -36.585 120.582 1.00856.49 O ATOM 9296 C2* A B 489 -913.818 -38.024 120.071 1.00856.49 C ATOM 9297 O2* A B 489 -914.287 -37.648 121.349 1.00856.49 O ATOM 9298 C1* A B 489 -914.938 -37.831 119.039 1.00856.49 C ATOM 9299 N9 A B 489 -914.923 -38.854 117.997 1.00856.49 N ATOM 9300 C8 A B 489 -914.305 -38.783 116.773 1.00856.49 C ATOM 9301 N7 A B 489 -914.436 -39.870 116.048 1.00856.49 N ATOM 9302 C5 A B 489 -915.199 -40.709 116.848 1.00856.49 C ATOM 9303 C6 A B 489 -915.682 -42.013 116.657 1.00856.49 C ATOM 9304 N6 A B 489 -915.451 -42.734 115.556 1.00856.49 N ATOM 9305 N1 A B 489 -916.416 -42.561 117.648 1.00856.49 N ATOM 9306 C2 A B 489 -916.641 -41.841 118.753 1.00856.49 C ATOM 9307 N3 A B 489 -916.239 -40.609 119.052 1.00856.49 N ATOM 9308 C4 A B 489 -915.513 -40.094 118.047 1.00856.49 C ATOM 9309 P A B 490 -910.310 -36.588 120.406 1.00856.49 P ATOM 9310 O1P A B 490 -909.749 -35.680 121.441 1.00856.49 O ATOM 9311 O2P A B 490 -910.003 -36.342 118.973 1.00856.49 O ATOM 9312 O5* A B 490 -909.870 -38.077 120.761 1.00856.49 O ATOM 9313 C5* A B 490 -909.691 -38.496 122.112 1.00856.49 C ATOM 9314 C4* A B 490 -910.808 -39.428 122.508 1.00856.49 C ATOM 9315 O4* A B 490 -910.935 -40.469 121.512 1.00856.49 O ATOM 9316 C3* A B 490 -910.648 -40.169 123.823 1.00856.49 C ATOM 9317 O3* A B 490 -911.115 -39.341 124.888 1.00856.49 O ATOM 9318 C2* A B 490 -911.548 -41.392 123.633 1.00856.49 C ATOM 9319 O2* A B 490 -912.894 -41.134 123.965 1.00856.49 O ATOM 9320 C1* A B 490 -911.473 -41.620 122.122 1.00856.49 C ATOM 9321 N9 A B 490 -910.737 -42.806 121.680 1.00856.49 N ATOM 9322 C8 A B 490 -909.740 -42.952 120.747 1.00856.49 C ATOM 9323 N7 A B 490 -909.317 -44.191 120.619 1.00856.49 N ATOM 9324 C5 A B 490 -910.091 -44.905 121.530 1.00856.49 C ATOM 9325 C6 A B 490 -910.148 -46.275 121.893 1.00856.49 C ATOM 9326 N6 A B 490 -909.390 -47.235 121.374 1.00856.49 N ATOM 9327 N1 A B 490 -911.041 -46.632 122.838 1.00856.49 N ATOM 9328 C2 A B 490 -911.816 -45.694 123.377 1.00856.49 C ATOM 9329 N3 A B 490 -911.862 -44.394 123.126 1.00856.49 N ATOM 9330 C4 A B 490 -910.967 -44.058 122.184 1.00856.49 C ATOM 9331 P A B 491 -911.114 -39.896 126.402 1.00856.49 P ATOM 9332 O1P A B 491 -911.550 -38.779 127.277 1.00856.49 O ATOM 9333 O2P A B 491 -909.811 -40.566 126.660 1.00856.49 O ATOM 9334 O5* A B 491 -912.263 -41.000 126.415 1.00856.49 O ATOM 9335 C5* A B 491 -913.609 -40.638 126.704 1.00856.49 C ATOM 9336 C4* A B 491 -914.553 -41.776 126.389 1.00856.49 C ATOM 9337 O4* A B 491 -915.126 -41.541 125.077 1.00856.49 O ATOM 9338 C3* A B 491 -913.951 -43.135 126.153 1.00856.49 C ATOM 9339 O3* A B 491 -913.681 -43.740 127.420 1.00856.49 O ATOM 9340 C2* A B 491 -914.978 -43.894 125.327 1.00856.49 C ATOM 9341 O2* A B 491 -915.950 -44.541 126.126 1.00856.49 O ATOM 9342 C1* A B 491 -915.627 -42.754 124.540 1.00856.49 C ATOM 9343 N9 A B 491 -915.250 -42.773 123.126 1.00856.49 N ATOM 9344 C8 A B 491 -915.065 -41.673 122.324 1.00856.49 C ATOM 9345 N7 A B 491 -914.661 -41.958 121.112 1.00856.49 N ATOM 9346 C5 A B 491 -914.586 -43.344 121.104 1.00856.49 C ATOM 9347 C6 A B 491 -914.196 -44.268 120.106 1.00856.49 C ATOM 9348 N6 A B 491 -913.774 -43.919 118.884 1.00856.49 N ATOM 9349 N1 A B 491 -914.238 -45.582 120.414 1.00856.49 N ATOM 9350 C2 A B 491 -914.642 -45.933 121.646 1.00856.49 C ATOM 9351 N3 A B 491 -915.023 -45.161 122.672 1.00856.49 N ATOM 9352 C4 A B 491 -914.967 -43.863 122.332 1.00856.49 C ATOM 9353 P G B 492 -912.475 -44.789 127.569 1.00856.49 P ATOM 9354 O1P G B 492 -912.429 -45.617 126.338 1.00856.49 O ATOM 9355 O2P G B 492 -912.606 -45.451 128.895 1.00856.49 O ATOM 9356 O5* G B 492 -911.173 -43.875 127.609 1.00856.49 O ATOM 9357 C5* G B 492 -910.553 -43.427 126.405 1.00856.49 C ATOM 9358 C4* G B 492 -909.699 -44.527 125.830 1.00856.49 C ATOM 9359 O4* G B 492 -908.972 -44.057 124.668 1.00856.49 O ATOM 9360 C3* G B 492 -908.626 -45.073 126.746 1.00856.49 C ATOM 9361 O3* G B 492 -909.193 -46.038 127.622 1.00856.49 O ATOM 9362 C2* G B 492 -907.667 -45.736 125.759 1.00856.49 C ATOM 9363 O2* G B 492 -908.030 -47.069 125.455 1.00856.49 O ATOM 9364 C1* G B 492 -907.844 -44.880 124.502 1.00856.49 C ATOM 9365 N9 G B 492 -906.678 -44.104 124.089 1.00856.49 N ATOM 9366 C8 G B 492 -905.875 -43.248 124.812 1.00856.49 C ATOM 9367 N7 G B 492 -904.889 -42.754 124.100 1.00856.49 N ATOM 9368 C5 G B 492 -905.069 -43.317 122.838 1.00856.49 C ATOM 9369 C6 G B 492 -904.311 -43.190 121.611 1.00856.49 C ATOM 9370 O6 G B 492 -903.293 -42.560 121.379 1.00856.49 O ATOM 9371 N1 G B 492 -904.872 -43.936 120.589 1.00856.49 N ATOM 9372 C2 G B 492 -905.989 -44.706 120.699 1.00856.49 C ATOM 9373 N2 G B 492 -906.381 -45.334 119.599 1.00856.49 N ATOM 9374 N3 G B 492 -906.679 -44.852 121.807 1.00856.49 N ATOM 9375 C4 G B 492 -906.169 -44.134 122.826 1.00856.49 C ATOM 9376 P A B 493 -909.021 -45.876 129.212 1.00856.49 P ATOM 9377 O1P A B 493 -909.850 -44.717 129.631 1.00856.49 O ATOM 9378 O2P A B 493 -907.571 -45.895 129.535 1.00856.49 O ATOM 9379 O5* A B 493 -909.684 -47.201 129.797 1.00856.49 O ATOM 9380 C5* A B 493 -910.823 -47.127 130.646 1.00856.49 C ATOM 9381 C4* A B 493 -911.851 -48.151 130.236 1.00856.49 C ATOM 9382 O4* A B 493 -912.076 -48.077 128.803 1.00856.49 O ATOM 9383 C3* A B 493 -911.507 -49.608 130.506 1.00856.49 C ATOM 9384 O3* A B 493 -911.847 -49.964 131.841 1.00856.49 O ATOM 9385 C2* A B 493 -912.343 -50.351 129.469 1.00856.49 C ATOM 9386 O2* A B 493 -913.680 -50.551 129.886 1.00856.49 O ATOM 9387 C1* A B 493 -912.318 -49.375 128.288 1.00856.49 C ATOM 9388 N9 A B 493 -911.267 -49.689 127.320 1.00856.49 N ATOM 9389 C8 A B 493 -910.287 -48.854 126.841 1.00856.49 C ATOM 9390 N7 A B 493 -909.480 -49.422 125.978 1.00856.49 N ATOM 9391 C5 A B 493 -909.960 -50.720 125.883 1.00856.49 C ATOM 9392 C6 A B 493 -909.534 -51.829 125.130 1.00856.49 C ATOM 9393 N6 A B 493 -908.484 -51.803 124.303 1.00856.49 N ATOM 9394 N1 A B 493 -910.232 -52.979 125.262 1.00856.49 N ATOM 9395 C2 A B 493 -911.281 -53.002 126.093 1.00856.49 C ATOM 9396 N3 A B 493 -911.774 -52.026 126.854 1.00856.49 N ATOM 9397 C4 A B 493 -911.061 -50.900 126.699 1.00856.49 C ATOM 9398 P A B 494 -911.288 -51.335 132.464 1.00856.49 P ATOM 9399 O1P A B 494 -909.926 -51.066 132.989 1.00856.49 O ATOM 9400 O2P A B 494 -911.490 -52.411 131.461 1.00856.49 O ATOM 9401 O5* A B 494 -912.248 -51.629 133.701 1.00856.49 O ATOM 9402 C5* A B 494 -912.098 -50.934 134.937 1.00856.49 C ATOM 9403 C4* A B 494 -913.302 -51.189 135.806 1.00856.49 C ATOM 9404 O4* A B 494 -914.485 -50.805 135.076 1.00856.49 O ATOM 9405 C3* A B 494 -913.550 -52.632 136.249 1.00856.49 C ATOM 9406 O3* A B 494 -912.844 -52.903 137.453 1.00856.49 O ATOM 9407 C2* A B 494 -915.060 -52.682 136.457 1.00856.49 C ATOM 9408 O2* A B 494 -915.441 -52.275 137.756 1.00856.49 O ATOM 9409 C1* A B 494 -915.555 -51.654 135.437 1.00856.49 C ATOM 9410 N9 A B 494 -916.210 -52.116 134.216 1.00856.49 N ATOM 9411 C8 A B 494 -915.637 -52.260 132.976 1.00856.49 C ATOM 9412 N7 A B 494 -916.478 -52.656 132.052 1.00856.49 N ATOM 9413 C5 A B 494 -917.682 -52.784 132.730 1.00856.49 C ATOM 9414 C6 A B 494 -918.964 -53.169 132.310 1.00856.49 C ATOM 9415 N6 A B 494 -919.263 -53.507 131.058 1.00856.49 N ATOM 9416 N1 A B 494 -919.947 -53.193 133.238 1.00856.49 N ATOM 9417 C2 A B 494 -919.648 -52.850 134.499 1.00856.49 C ATOM 9418 N3 A B 494 -918.482 -52.470 135.012 1.00856.49 N ATOM 9419 C4 A B 494 -917.531 -52.457 134.066 1.00856.49 C ATOM 9420 P C B 495 -912.291 -54.384 137.734 1.00856.49 P ATOM 9421 O1P C B 495 -912.103 -54.532 139.197 1.00856.49 O ATOM 9422 O2P C B 495 -911.150 -54.635 136.818 1.00856.49 O ATOM 9423 O5* C B 495 -913.504 -55.326 137.316 1.00856.49 O ATOM 9424 C5* C B 495 -914.439 -55.781 138.287 1.00856.49 C ATOM 9425 C4* C B 495 -915.403 -56.750 137.652 1.00856.49 C ATOM 9426 O4* C B 495 -916.101 -56.094 136.565 1.00856.49 O ATOM 9427 C3* C B 495 -914.762 -57.979 137.035 1.00856.49 C ATOM 9428 O3* C B 495 -914.613 -58.998 138.016 1.00856.49 O ATOM 9429 C2* C B 495 -915.744 -58.372 135.937 1.00856.49 C ATOM 9430 O2* C B 495 -916.798 -59.187 136.417 1.00856.49 O ATOM 9431 C1* C B 495 -916.314 -57.012 135.511 1.00856.49 C ATOM 9432 N1 C B 495 -915.732 -56.445 134.284 1.00856.49 N ATOM 9433 C2 C B 495 -916.554 -56.245 133.174 1.00856.49 C ATOM 9434 O2 C B 495 -917.743 -56.583 133.238 1.00856.49 O ATOM 9435 N3 C B 495 -916.036 -55.685 132.057 1.00856.49 N ATOM 9436 C4 C B 495 -914.748 -55.340 132.020 1.00856.49 C ATOM 9437 N4 C B 495 -914.283 -54.776 130.902 1.00856.49 N ATOM 9438 C5 C B 495 -913.879 -55.552 133.131 1.00856.49 C ATOM 9439 C6 C B 495 -914.408 -56.104 134.231 1.00856.49 C ATOM 9440 P C B 496 -913.151 -59.378 138.560 1.00856.49 P ATOM 9441 O1P C B 496 -913.189 -59.247 140.040 1.00856.49 O ATOM 9442 O2P C B 496 -912.139 -58.618 137.785 1.00856.49 O ATOM 9443 O5* C B 496 -913.005 -60.923 138.206 1.00856.49 O ATOM 9444 C5* C B 496 -913.113 -61.915 139.222 1.00856.49 C ATOM 9445 C4* C B 496 -913.238 -63.286 138.602 1.00856.49 C ATOM 9446 O4* C B 496 -914.371 -63.308 137.693 1.00856.49 O ATOM 9447 C3* C B 496 -912.073 -63.730 137.771 1.00856.49 C ATOM 9448 O3* C B 496 -911.135 -64.329 138.652 1.00856.49 O ATOM 9449 C2* C B 496 -912.687 -64.731 136.802 1.00856.49 C ATOM 9450 O2* C B 496 -912.812 -66.022 137.365 1.00856.49 O ATOM 9451 C1* C B 496 -914.071 -64.126 136.574 1.00856.49 C ATOM 9452 N1 C B 496 -914.078 -63.278 135.372 1.00856.49 N ATOM 9453 C2 C B 496 -913.999 -63.888 134.114 1.00856.49 C ATOM 9454 O2 C B 496 -913.956 -65.123 134.048 1.00856.49 O ATOM 9455 N3 C B 496 -913.971 -63.114 133.006 1.00856.49 N ATOM 9456 C4 C B 496 -914.026 -61.785 133.118 1.00856.49 C ATOM 9457 N4 C B 496 -913.984 -61.062 131.997 1.00856.49 N ATOM 9458 C5 C B 496 -914.122 -61.140 134.383 1.00856.49 C ATOM 9459 C6 C B 496 -914.149 -61.917 135.473 1.00856.49 C ATOM 9460 P C B 497 -909.574 -64.289 138.278 1.00856.49 P ATOM 9461 O1P C B 497 -908.825 -64.918 139.395 1.00856.49 O ATOM 9462 O2P C B 497 -909.233 -62.906 137.852 1.00856.49 O ATOM 9463 O5* C B 497 -909.465 -65.242 137.006 1.00856.49 O ATOM 9464 C5* C B 497 -909.779 -66.627 137.109 1.00856.49 C ATOM 9465 C4* C B 497 -909.313 -67.374 135.885 1.00856.49 C ATOM 9466 O4* C B 497 -909.841 -66.763 134.679 1.00856.49 O ATOM 9467 C3* C B 497 -907.811 -67.463 135.647 1.00856.49 C ATOM 9468 O3* C B 497 -907.215 -68.496 136.423 1.00856.49 O ATOM 9469 C2* C B 497 -907.731 -67.745 134.153 1.00856.49 C ATOM 9470 O2* C B 497 -907.915 -69.111 133.847 1.00856.49 O ATOM 9471 C1* C B 497 -908.918 -66.943 133.613 1.00856.49 C ATOM 9472 N1 C B 497 -908.519 -65.620 133.100 1.00856.49 N ATOM 9473 C2 C B 497 -907.934 -65.544 131.832 1.00856.49 C ATOM 9474 O2 C B 497 -907.787 -66.581 131.173 1.00856.49 O ATOM 9475 N3 C B 497 -907.542 -64.338 131.357 1.00856.49 N ATOM 9476 C4 C B 497 -907.722 -63.241 132.091 1.00856.49 C ATOM 9477 N4 C B 497 -907.313 -62.078 131.585 1.00856.49 N ATOM 9478 C5 C B 497 -908.322 -63.288 133.386 1.00856.49 C ATOM 9479 C6 C B 497 -908.706 -64.489 133.845 1.00856.49 C ATOM 9480 P C B 498 -905.674 -68.364 136.857 1.00856.49 P ATOM 9481 O1P C B 498 -905.409 -69.401 137.885 1.00856.49 O ATOM 9482 O2P C B 498 -905.400 -66.938 137.169 1.00856.49 O ATOM 9483 O5* C B 498 -904.866 -68.747 135.540 1.00856.49 O ATOM 9484 C5* C B 498 -904.748 -70.100 135.126 1.00856.49 C ATOM 9485 C4* C B 498 -903.667 -70.238 134.081 1.00856.49 C ATOM 9486 O4* C B 498 -904.015 -69.445 132.917 1.00856.49 O ATOM 9487 C3* C B 498 -902.276 -69.762 134.457 1.00856.49 C ATOM 9488 O3* C B 498 -901.551 -70.741 135.185 1.00856.49 O ATOM 9489 C2* C B 498 -901.646 -69.466 133.101 1.00856.49 C ATOM 9490 O2* C B 498 -901.152 -70.631 132.468 1.00856.49 O ATOM 9491 C1* C B 498 -902.842 -68.921 132.319 1.00856.49 C ATOM 9492 N1 C B 498 -902.900 -67.454 132.399 1.00856.49 N ATOM 9493 C2 C B 498 -902.076 -66.696 131.559 1.00856.49 C ATOM 9494 O2 C B 498 -901.343 -67.283 130.746 1.00856.49 O ATOM 9495 N3 C B 498 -902.096 -65.349 131.656 1.00856.49 N ATOM 9496 C4 C B 498 -902.900 -64.756 132.540 1.00856.49 C ATOM 9497 N4 C B 498 -902.879 -63.421 132.611 1.00856.49 N ATOM 9498 C5 C B 498 -903.762 -65.501 133.396 1.00856.49 C ATOM 9499 C6 C B 498 -903.733 -66.835 133.288 1.00856.49 C ATOM 9500 P G B 499 -900.659 -70.286 136.443 1.00856.49 P ATOM 9501 O1P G B 499 -899.675 -71.363 136.710 1.00856.49 O ATOM 9502 O2P G B 499 -901.574 -69.840 137.525 1.00856.49 O ATOM 9503 O5* G B 499 -899.867 -69.011 135.907 1.00856.49 O ATOM 9504 C5* G B 499 -898.790 -69.161 134.988 1.00856.49 C ATOM 9505 C4* G B 499 -898.300 -67.809 134.509 1.00856.49 C ATOM 9506 O4* G B 499 -899.383 -67.074 133.885 1.00856.49 O ATOM 9507 C3* G B 499 -897.730 -66.809 135.522 1.00856.49 C ATOM 9508 O3* G B 499 -896.405 -67.078 135.955 1.00856.49 O ATOM 9509 C2* G B 499 -897.820 -65.500 134.750 1.00856.49 C ATOM 9510 O2* G B 499 -896.760 -65.332 133.832 1.00856.49 O ATOM 9511 C1* G B 499 -899.139 -65.680 133.996 1.00856.49 C ATOM 9512 N9 G B 499 -900.234 -65.069 134.737 1.00856.49 N ATOM 9513 C8 G B 499 -901.166 -65.702 135.524 1.00856.49 C ATOM 9514 N7 G B 499 -901.997 -64.876 136.100 1.00856.49 N ATOM 9515 C5 G B 499 -901.598 -63.623 135.660 1.00856.49 C ATOM 9516 C6 G B 499 -902.116 -62.334 135.954 1.00856.49 C ATOM 9517 O6 G B 499 -903.066 -62.037 136.690 1.00856.49 O ATOM 9518 N1 G B 499 -901.414 -61.335 135.288 1.00856.49 N ATOM 9519 C2 G B 499 -900.345 -61.545 134.452 1.00856.49 C ATOM 9520 N2 G B 499 -899.804 -60.449 133.903 1.00856.49 N ATOM 9521 N3 G B 499 -899.845 -62.738 134.176 1.00856.49 N ATOM 9522 C4 G B 499 -900.518 -63.723 134.811 1.00856.49 C ATOM 9523 P G B 500 -895.944 -66.589 137.416 1.00856.49 P ATOM 9524 O1P G B 500 -894.486 -66.317 137.355 1.00856.49 O ATOM 9525 O2P G B 500 -896.468 -67.555 138.413 1.00856.49 O ATOM 9526 O5* G B 500 -896.709 -65.201 137.608 1.00856.49 O ATOM 9527 C5* G B 500 -896.696 -64.521 138.865 1.00856.49 C ATOM 9528 C4* G B 500 -895.868 -63.260 138.765 1.00856.49 C ATOM 9529 O4* G B 500 -894.552 -63.625 138.274 1.00856.49 O ATOM 9530 C3* G B 500 -896.347 -62.219 137.788 1.00856.49 C ATOM 9531 O3* G B 500 -897.305 -61.382 138.429 1.00856.49 O ATOM 9532 C2* G B 500 -895.075 -61.465 137.429 1.00856.49 C ATOM 9533 O2* G B 500 -894.742 -60.482 138.388 1.00856.49 O ATOM 9534 C1* G B 500 -894.037 -62.586 137.457 1.00856.49 C ATOM 9535 N9 G B 500 -893.822 -63.146 136.129 1.00856.49 N ATOM 9536 C8 G B 500 -894.681 -63.961 135.434 1.00856.49 C ATOM 9537 N7 G B 500 -894.236 -64.286 134.250 1.00856.49 N ATOM 9538 C5 G B 500 -893.006 -63.650 134.161 1.00856.49 C ATOM 9539 C6 G B 500 -892.057 -63.627 133.109 1.00856.49 C ATOM 9540 O6 G B 500 -892.117 -64.185 132.005 1.00856.49 O ATOM 9541 N1 G B 500 -890.946 -62.861 133.440 1.00856.49 N ATOM 9542 C2 G B 500 -890.769 -62.197 134.630 1.00856.49 C ATOM 9543 N2 G B 500 -889.625 -61.513 134.758 1.00856.49 N ATOM 9544 N3 G B 500 -891.648 -62.206 135.617 1.00856.49 N ATOM 9545 C4 G B 500 -892.734 -62.947 135.318 1.00856.49 C ATOM 9546 P G B 501 -898.672 -61.007 137.665 1.00856.49 P ATOM 9547 O1P G B 501 -899.428 -60.075 138.539 1.00856.49 O ATOM 9548 O2P G B 501 -899.303 -62.271 137.222 1.00856.49 O ATOM 9549 O5* G B 501 -898.204 -60.196 136.370 1.00856.49 O ATOM 9550 C5* G B 501 -897.900 -58.803 136.442 1.00856.49 C ATOM 9551 C4* G B 501 -896.997 -58.396 135.299 1.00856.49 C ATOM 9552 O4* G B 501 -895.969 -59.403 135.124 1.00856.49 O ATOM 9553 C3* G B 501 -897.596 -58.227 133.898 1.00856.49 C ATOM 9554 O3* G B 501 -898.243 -56.980 133.679 1.00856.49 O ATOM 9555 C2* G B 501 -896.369 -58.392 133.006 1.00856.49 C ATOM 9556 O2* G B 501 -895.612 -57.205 132.896 1.00856.49 O ATOM 9557 C1* G B 501 -895.561 -59.443 133.767 1.00856.49 C ATOM 9558 N9 G B 501 -895.793 -60.794 133.262 1.00856.49 N ATOM 9559 C8 G B 501 -896.755 -61.681 133.677 1.00856.49 C ATOM 9560 N7 G B 501 -896.727 -62.813 133.029 1.00856.49 N ATOM 9561 C5 G B 501 -895.680 -62.665 132.130 1.00856.49 C ATOM 9562 C6 G B 501 -895.168 -63.562 131.158 1.00856.49 C ATOM 9563 O6 G B 501 -895.556 -64.704 130.883 1.00856.49 O ATOM 9564 N1 G B 501 -894.098 -63.011 130.463 1.00856.49 N ATOM 9565 C2 G B 501 -893.583 -61.755 130.674 1.00856.49 C ATOM 9566 N2 G B 501 -892.543 -61.403 129.901 1.00856.49 N ATOM 9567 N3 G B 501 -894.048 -60.907 131.578 1.00856.49 N ATOM 9568 C4 G B 501 -895.089 -61.426 132.266 1.00856.49 C ATOM 9569 P A B 502 -899.222 -56.796 132.414 1.00856.49 P ATOM 9570 O1P A B 502 -899.760 -55.416 132.467 1.00856.49 O ATOM 9571 O2P A B 502 -900.156 -57.949 132.381 1.00856.49 O ATOM 9572 O5* A B 502 -898.259 -56.899 131.149 1.00856.49 O ATOM 9573 C5* A B 502 -897.362 -55.840 130.819 1.00856.49 C ATOM 9574 C4* A B 502 -896.445 -56.264 129.694 1.00856.49 C ATOM 9575 O4* A B 502 -895.734 -57.466 130.089 1.00856.49 O ATOM 9576 C3* A B 502 -897.120 -56.644 128.385 1.00856.49 C ATOM 9577 O3* A B 502 -897.420 -55.517 127.569 1.00856.49 O ATOM 9578 C2* A B 502 -896.095 -57.569 127.741 1.00856.49 C ATOM 9579 O2* A B 502 -895.061 -56.865 127.081 1.00856.49 O ATOM 9580 C1* A B 502 -895.531 -58.297 128.960 1.00856.49 C ATOM 9581 N9 A B 502 -896.236 -59.557 129.197 1.00856.49 N ATOM 9582 C8 A B 502 -897.147 -59.837 130.184 1.00856.49 C ATOM 9583 N7 A B 502 -897.632 -61.053 130.129 1.00856.49 N ATOM 9584 C5 A B 502 -896.990 -61.616 129.033 1.00856.49 C ATOM 9585 C6 A B 502 -897.071 -62.888 128.441 1.00856.49 C ATOM 9586 N6 A B 502 -897.865 -63.866 128.889 1.00856.49 N ATOM 9587 N1 A B 502 -896.300 -63.123 127.356 1.00856.49 N ATOM 9588 C2 A B 502 -895.510 -62.143 126.907 1.00856.49 C ATOM 9589 N3 A B 502 -895.349 -60.907 127.376 1.00856.49 N ATOM 9590 C4 A B 502 -896.125 -60.705 128.451 1.00856.49 C ATOM 9591 P G B 503 -898.684 -55.571 126.575 1.00856.49 P ATOM 9592 O1P G B 503 -898.359 -54.729 125.397 1.00856.49 O ATOM 9593 O2P G B 503 -899.906 -55.285 127.369 1.00856.49 O ATOM 9594 O5* G B 503 -898.743 -57.092 126.102 1.00856.49 O ATOM 9595 C5* G B 503 -898.614 -57.429 124.726 1.00856.49 C ATOM 9596 C4* G B 503 -899.254 -58.767 124.442 1.00856.49 C ATOM 9597 O4* G B 503 -898.691 -59.798 125.298 1.00856.49 O ATOM 9598 C3* G B 503 -900.760 -58.860 124.662 1.00856.49 C ATOM 9599 O3* G B 503 -901.500 -58.371 123.550 1.00856.49 O ATOM 9600 C2* G B 503 -900.970 -60.354 124.876 1.00856.49 C ATOM 9601 O2* G B 503 -901.060 -61.085 123.671 1.00856.49 O ATOM 9602 C1* G B 503 -899.691 -60.748 125.620 1.00856.49 C ATOM 9603 N9 G B 503 -899.903 -60.755 127.063 1.00856.49 N ATOM 9604 C8 G B 503 -899.774 -59.697 127.927 1.00856.49 C ATOM 9605 N7 G B 503 -900.074 -60.007 129.161 1.00856.49 N ATOM 9606 C5 G B 503 -900.408 -61.354 129.107 1.00856.49 C ATOM 9607 C6 G B 503 -900.825 -62.238 130.136 1.00856.49 C ATOM 9608 O6 G B 503 -901.000 -62.001 131.336 1.00856.49 O ATOM 9609 N1 G B 503 -901.058 -63.519 129.644 1.00856.49 N ATOM 9610 C2 G B 503 -900.913 -63.902 128.336 1.00856.49 C ATOM 9611 N2 G B 503 -901.181 -65.188 128.065 1.00856.49 N ATOM 9612 N3 G B 503 -900.531 -63.084 127.364 1.00856.49 N ATOM 9613 C4 G B 503 -900.299 -61.833 127.819 1.00856.49 C ATOM 9614 P G B 504 -903.049 -57.992 123.735 1.00856.49 P ATOM 9615 O1P G B 504 -903.503 -57.413 122.442 1.00856.49 O ATOM 9616 O2P G B 504 -903.201 -57.208 124.986 1.00856.49 O ATOM 9617 O5* G B 504 -903.771 -59.401 123.925 1.00856.49 O ATOM 9618 C5* G B 504 -903.931 -60.258 122.814 1.00856.49 C ATOM 9619 C4* G B 504 -904.320 -61.650 123.233 1.00856.49 C ATOM 9620 O4* G B 504 -903.366 -62.185 124.183 1.00856.49 O ATOM 9621 C3* G B 504 -905.690 -61.834 123.899 1.00856.49 C ATOM 9622 O3* G B 504 -906.799 -61.867 123.011 1.00856.49 O ATOM 9623 C2* G B 504 -905.496 -63.159 124.629 1.00856.49 C ATOM 9624 O2* G B 504 -905.663 -64.286 123.792 1.00856.49 O ATOM 9625 C1* G B 504 -904.034 -63.064 125.069 1.00856.49 C ATOM 9626 N9 G B 504 -903.926 -62.529 126.420 1.00856.49 N ATOM 9627 C8 G B 504 -903.475 -61.286 126.794 1.00856.49 C ATOM 9628 N7 G B 504 -903.518 -61.095 128.086 1.00856.49 N ATOM 9629 C5 G B 504 -904.023 -62.287 128.590 1.00856.49 C ATOM 9630 C6 G B 504 -904.303 -62.673 129.927 1.00856.49 C ATOM 9631 O6 G B 504 -904.154 -62.023 130.967 1.00856.49 O ATOM 9632 N1 G B 504 -904.808 -63.970 129.990 1.00856.49 N ATOM 9633 C2 G B 504 -905.017 -64.783 128.910 1.00856.49 C ATOM 9634 N2 G B 504 -905.516 -65.995 129.181 1.00856.49 N ATOM 9635 N3 G B 504 -904.765 -64.437 127.661 1.00856.49 N ATOM 9636 C4 G B 504 -904.275 -63.182 127.576 1.00856.49 C ATOM 9637 P G B 505 -908.198 -61.225 123.467 1.00856.49 P ATOM 9638 O1P G B 505 -909.117 -61.282 122.303 1.00856.49 O ATOM 9639 O2P G B 505 -907.919 -59.920 124.119 1.00856.49 O ATOM 9640 O5* G B 505 -908.728 -62.243 124.573 1.00856.49 O ATOM 9641 C5* G B 505 -908.847 -63.631 124.284 1.00856.49 C ATOM 9642 C4* G B 505 -909.918 -64.255 125.146 1.00856.49 C ATOM 9643 O4* G B 505 -909.595 -64.115 126.554 1.00856.49 O ATOM 9644 C3* G B 505 -911.339 -63.709 125.090 1.00856.49 C ATOM 9645 O3* G B 505 -912.044 -64.177 123.958 1.00856.49 O ATOM 9646 C2* G B 505 -911.976 -64.223 126.377 1.00856.49 C ATOM 9647 O2* G B 505 -912.518 -65.517 126.227 1.00856.49 O ATOM 9648 C1* G B 505 -910.777 -64.256 127.326 1.00856.49 C ATOM 9649 N9 G B 505 -910.808 -63.202 128.335 1.00856.49 N ATOM 9650 C8 G B 505 -910.647 -61.853 128.131 1.00856.49 C ATOM 9651 N7 G B 505 -910.701 -61.156 129.234 1.00856.49 N ATOM 9652 C5 G B 505 -910.911 -62.104 130.229 1.00856.49 C ATOM 9653 C6 G B 505 -911.048 -61.950 131.637 1.00856.49 C ATOM 9654 O6 G B 505 -911.000 -60.913 132.309 1.00856.49 O ATOM 9655 N1 G B 505 -911.258 -63.168 132.267 1.00856.49 N ATOM 9656 C2 G B 505 -911.325 -64.382 131.630 1.00856.49 C ATOM 9657 N2 G B 505 -911.538 -65.446 132.421 1.00856.49 N ATOM 9658 N3 G B 505 -911.193 -64.540 130.322 1.00856.49 N ATOM 9659 C4 G B 505 -910.990 -63.369 129.687 1.00856.49 C ATOM 9660 P G B 506 -913.424 -63.477 123.566 1.00856.49 P ATOM 9661 O1P G B 506 -913.823 -63.965 122.220 1.00856.49 O ATOM 9662 O2P G B 506 -913.204 -62.024 123.789 1.00856.49 O ATOM 9663 O5* G B 506 -914.454 -64.032 124.656 1.00856.49 O ATOM 9664 C5* G B 506 -915.700 -63.376 124.859 1.00856.49 C ATOM 9665 C4* G B 506 -916.190 -63.518 126.281 1.00856.49 C ATOM 9666 O4* G B 506 -915.116 -63.305 127.236 1.00856.49 O ATOM 9667 C3* G B 506 -917.283 -62.540 126.669 1.00856.49 C ATOM 9668 O3* G B 506 -918.558 -63.030 126.265 1.00856.49 O ATOM 9669 C2* G B 506 -917.128 -62.437 128.181 1.00856.49 C ATOM 9670 O2* G B 506 -917.794 -63.487 128.854 1.00856.49 O ATOM 9671 C1* G B 506 -915.615 -62.593 128.354 1.00856.49 C ATOM 9672 N9 G B 506 -914.915 -61.314 128.466 1.00856.49 N ATOM 9673 C8 G B 506 -913.834 -60.879 127.735 1.00856.49 C ATOM 9674 N7 G B 506 -913.431 -59.688 128.080 1.00856.49 N ATOM 9675 C5 G B 506 -914.294 -59.311 129.098 1.00856.49 C ATOM 9676 C6 G B 506 -914.349 -58.114 129.868 1.00856.49 C ATOM 9677 O6 G B 506 -913.617 -57.124 129.805 1.00856.49 O ATOM 9678 N1 G B 506 -915.387 -58.148 130.793 1.00856.49 N ATOM 9679 C2 G B 506 -916.263 -59.195 130.958 1.00856.49 C ATOM 9680 N2 G B 506 -917.203 -59.033 131.900 1.00856.49 N ATOM 9681 N3 G B 506 -916.221 -60.310 130.249 1.00856.49 N ATOM 9682 C4 G B 506 -915.221 -60.300 129.345 1.00856.49 C ATOM 9683 P A B 507 -919.294 -62.366 124.991 1.00856.49 P ATOM 9684 O1P A B 507 -920.635 -62.994 124.862 1.00856.49 O ATOM 9685 O2P A B 507 -918.378 -62.383 123.834 1.00856.49 O ATOM 9686 O5* A B 507 -919.499 -60.848 125.406 1.00856.49 O ATOM 9687 C5* A B 507 -920.680 -60.424 126.074 1.00856.49 C ATOM 9688 C4* A B 507 -920.500 -59.031 126.617 1.00856.49 C ATOM 9689 O4* A B 507 -919.326 -58.990 127.470 1.00856.49 O ATOM 9690 C3* A B 507 -920.263 -57.923 125.593 1.00856.49 C ATOM 9691 O3* A B 507 -921.472 -57.442 125.019 1.00856.49 O ATOM 9692 C2* A B 507 -919.546 -56.863 126.422 1.00856.49 C ATOM 9693 O2* A B 507 -920.441 -56.066 127.174 1.00856.49 O ATOM 9694 C1* A B 507 -918.702 -57.724 127.363 1.00856.49 C ATOM 9695 N9 A B 507 -917.346 -57.919 126.855 1.00856.49 N ATOM 9696 C8 A B 507 -916.873 -58.947 126.079 1.00856.49 C ATOM 9697 N7 A B 507 -915.608 -58.832 125.759 1.00856.49 N ATOM 9698 C5 A B 507 -915.218 -57.646 126.368 1.00856.49 C ATOM 9699 C6 A B 507 -913.989 -56.962 126.410 1.00856.49 C ATOM 9700 N6 A B 507 -912.883 -57.390 125.797 1.00856.49 N ATOM 9701 N1 A B 507 -913.937 -55.807 127.110 1.00856.49 N ATOM 9702 C2 A B 507 -915.048 -55.379 127.722 1.00856.49 C ATOM 9703 N3 A B 507 -916.257 -55.930 127.753 1.00856.49 N ATOM 9704 C4 A B 507 -916.276 -57.076 127.051 1.00856.49 C ATOM 9705 P G B 508 -921.406 -56.451 123.755 1.00856.49 P ATOM 9706 O1P G B 508 -922.694 -56.566 123.029 1.00856.49 O ATOM 9707 O2P G B 508 -920.132 -56.702 123.031 1.00856.49 O ATOM 9708 O5* G B 508 -921.331 -55.004 124.409 1.00856.49 O ATOM 9709 C5* G B 508 -922.390 -54.519 125.230 1.00856.49 C ATOM 9710 C4* G B 508 -921.948 -53.284 125.979 1.00856.49 C ATOM 9711 O4* G B 508 -920.805 -53.593 126.815 1.00856.49 O ATOM 9712 C3* G B 508 -921.492 -52.096 125.135 1.00856.49 C ATOM 9713 O3* G B 508 -922.564 -51.316 124.620 1.00856.49 O ATOM 9714 C2* G B 508 -920.613 -51.327 126.115 1.00856.49 C ATOM 9715 O2* G B 508 -921.364 -50.514 126.995 1.00856.49 O ATOM 9716 C1* G B 508 -919.954 -52.464 126.900 1.00856.49 C ATOM 9717 N9 G B 508 -918.652 -52.832 126.351 1.00856.49 N ATOM 9718 C8 G B 508 -918.375 -53.898 125.533 1.00856.49 C ATOM 9719 N7 G B 508 -917.118 -53.969 125.190 1.00856.49 N ATOM 9720 C5 G B 508 -916.528 -52.886 125.826 1.00856.49 C ATOM 9721 C6 G B 508 -915.179 -52.441 125.827 1.00856.49 C ATOM 9722 O6 G B 508 -914.206 -52.933 125.243 1.00856.49 O ATOM 9723 N1 G B 508 -915.017 -51.302 126.606 1.00856.49 N ATOM 9724 C2 G B 508 -916.019 -50.667 127.297 1.00856.49 C ATOM 9725 N2 G B 508 -915.660 -49.579 127.993 1.00856.49 N ATOM 9726 N3 G B 508 -917.281 -51.067 127.301 1.00856.49 N ATOM 9727 C4 G B 508 -917.460 -52.175 126.554 1.00856.49 C ATOM 9728 P U B 509 -922.375 -50.526 123.234 1.00856.49 P ATOM 9729 O1P U B 509 -923.589 -49.699 123.021 1.00856.49 O ATOM 9730 O2P U B 509 -921.959 -51.499 122.195 1.00856.49 O ATOM 9731 O5* U B 509 -921.151 -49.549 123.520 1.00856.49 O ATOM 9732 C5* U B 509 -921.256 -48.521 124.498 1.00856.49 C ATOM 9733 C4* U B 509 -919.895 -47.941 124.798 1.00856.49 C ATOM 9734 O4* U B 509 -919.015 -49.006 125.237 1.00856.49 O ATOM 9735 C3* U B 509 -919.189 -47.325 123.608 1.00856.49 C ATOM 9736 O3* U B 509 -919.568 -45.963 123.463 1.00856.49 O ATOM 9737 C2* U B 509 -917.716 -47.459 123.978 1.00856.49 C ATOM 9738 O2* U B 509 -917.275 -46.413 124.824 1.00856.49 O ATOM 9739 C1* U B 509 -917.701 -48.779 124.750 1.00856.49 C ATOM 9740 N1 U B 509 -917.322 -49.921 123.901 1.00856.49 N ATOM 9741 C2 U B 509 -916.002 -50.021 123.515 1.00856.49 C ATOM 9742 O2 U B 509 -915.148 -49.227 123.864 1.00856.49 O ATOM 9743 N3 U B 509 -915.714 -51.094 122.710 1.00856.49 N ATOM 9744 C4 U B 509 -916.597 -52.057 122.260 1.00856.49 C ATOM 9745 O4 U B 509 -916.189 -52.956 121.524 1.00856.49 O ATOM 9746 C5 U B 509 -917.943 -51.885 122.712 1.00856.49 C ATOM 9747 C6 U B 509 -918.253 -50.850 123.496 1.00856.49 C ATOM 9748 P G B 510 -920.254 -45.468 122.094 1.00856.49 P ATOM 9749 O1P G B 510 -920.074 -43.997 122.009 1.00856.49 O ATOM 9750 O2P G B 510 -921.623 -46.045 122.024 1.00856.49 O ATOM 9751 O5* G B 510 -919.377 -46.140 120.950 1.00856.49 O ATOM 9752 C5* G B 510 -918.056 -45.684 120.659 1.00856.49 C ATOM 9753 C4* G B 510 -917.492 -46.463 119.499 1.00856.49 C ATOM 9754 O4* G B 510 -917.149 -47.797 119.953 1.00856.49 O ATOM 9755 C3* G B 510 -918.443 -46.710 118.349 1.00856.49 C ATOM 9756 O3* G B 510 -918.490 -45.590 117.475 1.00856.49 O ATOM 9757 C2* G B 510 -917.868 -47.957 117.691 1.00856.49 C ATOM 9758 O2* G B 510 -916.796 -47.664 116.815 1.00856.49 O ATOM 9759 C1* G B 510 -917.354 -48.733 118.908 1.00856.49 C ATOM 9760 N9 G B 510 -918.327 -49.709 119.383 1.00856.49 N ATOM 9761 C8 G B 510 -919.413 -49.452 120.187 1.00856.49 C ATOM 9762 N7 G B 510 -920.121 -50.516 120.446 1.00856.49 N ATOM 9763 C5 G B 510 -919.464 -51.540 119.782 1.00856.49 C ATOM 9764 C6 G B 510 -919.770 -52.922 119.701 1.00856.49 C ATOM 9765 O6 G B 510 -920.711 -53.536 120.213 1.00856.49 O ATOM 9766 N1 G B 510 -918.839 -53.604 118.921 1.00856.49 N ATOM 9767 C2 G B 510 -917.757 -53.033 118.302 1.00856.49 C ATOM 9768 N2 G B 510 -916.973 -53.861 117.597 1.00856.49 N ATOM 9769 N3 G B 510 -917.462 -51.744 118.370 1.00856.49 N ATOM 9770 C4 G B 510 -918.351 -51.060 119.119 1.00856.49 C ATOM 9771 P A B 511 -919.758 -44.608 117.521 1.00856.49 P ATOM 9772 O1P A B 511 -919.348 -43.312 116.920 1.00856.49 O ATOM 9773 O2P A B 511 -920.318 -44.634 118.896 1.00856.49 O ATOM 9774 O5* A B 511 -920.809 -45.303 116.542 1.00856.49 O ATOM 9775 C5* A B 511 -922.179 -45.423 116.905 1.00856.49 C ATOM 9776 C4* A B 511 -922.933 -46.203 115.856 1.00856.49 C ATOM 9777 O4* A B 511 -923.154 -45.364 114.696 1.00856.49 O ATOM 9778 C3* A B 511 -922.282 -47.472 115.304 1.00856.49 C ATOM 9779 O3* A B 511 -922.483 -48.625 116.116 1.00856.49 O ATOM 9780 C2* A B 511 -922.959 -47.625 113.943 1.00856.49 C ATOM 9781 O2* A B 511 -924.204 -48.285 114.029 1.00856.49 O ATOM 9782 C1* A B 511 -923.194 -46.166 113.532 1.00856.49 C ATOM 9783 N9 A B 511 -922.244 -45.636 112.555 1.00856.49 N ATOM 9784 C8 A B 511 -921.548 -44.456 112.588 1.00856.49 C ATOM 9785 N7 A B 511 -920.785 -44.263 111.538 1.00856.49 N ATOM 9786 C5 A B 511 -920.990 -45.398 110.767 1.00856.49 C ATOM 9787 C6 A B 511 -920.474 -45.808 109.525 1.00856.49 C ATOM 9788 N6 A B 511 -919.607 -45.088 108.811 1.00856.49 N ATOM 9789 N1 A B 511 -920.883 -46.998 109.035 1.00856.49 N ATOM 9790 C2 A B 511 -921.752 -47.717 109.751 1.00856.49 C ATOM 9791 N3 A B 511 -922.311 -47.443 110.926 1.00856.49 N ATOM 9792 C4 A B 511 -921.885 -46.254 111.385 1.00856.49 C ATOM 9793 P A B 512 -921.431 -50.279 116.056 1.00855.43 P ATOM 9794 O1P A B 512 -922.123 -51.583 115.930 1.00855.43 O ATOM 9795 O2P A B 512 -920.568 -50.016 117.227 1.00855.43 O ATOM 9796 O5* A B 512 -920.567 -50.072 114.731 1.00855.43 O ATOM 9797 C5* A B 512 -920.950 -50.709 113.516 1.00855.43 C ATOM 9798 C4* A B 512 -919.857 -50.580 112.485 1.00855.43 C ATOM 9799 O4* A B 512 -919.883 -49.235 111.949 1.00855.43 O ATOM 9800 C3* A B 512 -918.415 -50.677 112.942 1.00855.43 C ATOM 9801 O3* A B 512 -918.031 -52.042 113.080 1.00855.43 O ATOM 9802 C2* A B 512 -917.625 -49.976 111.843 1.00855.43 C ATOM 9803 O2* A B 512 -917.305 -50.843 110.772 1.00855.43 O ATOM 9804 C1* A B 512 -918.632 -48.928 111.364 1.00855.43 C ATOM 9805 N9 A B 512 -918.254 -47.584 111.797 1.00855.43 N ATOM 9806 C8 A B 512 -918.457 -47.016 113.027 1.00855.43 C ATOM 9807 N7 A B 512 -917.984 -45.800 113.134 1.00855.43 N ATOM 9808 C5 A B 512 -917.434 -45.548 111.884 1.00855.43 C ATOM 9809 C6 A B 512 -916.770 -44.429 111.352 1.00855.43 C ATOM 9810 N6 A B 512 -916.532 -43.312 112.041 1.00855.43 N ATOM 9811 N1 A B 512 -916.348 -44.504 110.071 1.00855.43 N ATOM 9812 C2 A B 512 -916.581 -45.626 109.381 1.00855.43 C ATOM 9813 N3 A B 512 -917.193 -46.741 109.771 1.00855.43 N ATOM 9814 C4 A B 512 -917.599 -46.637 111.048 1.00855.43 C ATOM 9815 P A B 513 -917.635 -52.618 114.530 1.00855.43 P ATOM 9816 O1P A B 513 -917.249 -54.042 114.353 1.00855.43 O ATOM 9817 O2P A B 513 -918.718 -52.262 115.478 1.00855.43 O ATOM 9818 O5* A B 513 -916.326 -51.804 114.945 1.00855.43 O ATOM 9819 C5* A B 513 -915.323 -51.474 113.990 1.00855.43 C ATOM 9820 C4* A B 513 -913.950 -51.653 114.595 1.00855.43 C ATOM 9821 O4* A B 513 -913.819 -50.803 115.756 1.00855.43 O ATOM 9822 C3* A B 513 -913.641 -53.052 115.112 1.00855.43 C ATOM 9823 O3* A B 513 -913.061 -53.818 114.058 1.00855.43 O ATOM 9824 C2* A B 513 -912.581 -52.811 116.192 1.00855.43 C ATOM 9825 O2* A B 513 -911.263 -52.885 115.685 1.00855.43 O ATOM 9826 C1* A B 513 -912.865 -51.371 116.625 1.00855.43 C ATOM 9827 N9 A B 513 -913.260 -51.132 118.015 1.00855.43 N ATOM 9828 C8 A B 513 -914.491 -51.122 118.622 1.00855.43 C ATOM 9829 N7 A B 513 -914.442 -50.814 119.903 1.00855.43 N ATOM 9830 C5 A B 513 -913.087 -50.622 120.149 1.00855.43 C ATOM 9831 C6 A B 513 -912.349 -50.260 121.306 1.00855.43 C ATOM 9832 N6 A B 513 -912.880 -49.996 122.499 1.00855.43 N ATOM 9833 N1 A B 513 -911.008 -50.164 121.191 1.00855.43 N ATOM 9834 C2 A B 513 -910.448 -50.401 120.005 1.00855.43 C ATOM 9835 N3 A B 513 -911.021 -50.736 118.857 1.00855.43 N ATOM 9836 C4 A B 513 -912.353 -50.831 118.998 1.00855.43 C ATOM 9837 P G B 514 -913.918 -54.943 113.301 1.00855.43 P ATOM 9838 O1P G B 514 -914.895 -54.264 112.411 1.00855.43 O ATOM 9839 O2P G B 514 -914.401 -55.917 114.313 1.00855.43 O ATOM 9840 O5* G B 514 -912.826 -55.662 112.393 1.00855.43 O ATOM 9841 C5* G B 514 -911.508 -55.894 112.891 1.00855.43 C ATOM 9842 C4* G B 514 -910.556 -56.224 111.759 1.00855.43 C ATOM 9843 O4* G B 514 -910.966 -57.466 111.125 1.00855.43 O ATOM 9844 C3* G B 514 -910.476 -55.304 110.551 1.00855.43 C ATOM 9845 O3* G B 514 -909.649 -54.182 110.838 1.00855.43 O ATOM 9846 C2* G B 514 -909.879 -56.169 109.452 1.00855.43 C ATOM 9847 O2* G B 514 -908.465 -56.159 109.450 1.00855.43 O ATOM 9848 C1* G B 514 -910.386 -57.557 109.832 1.00855.43 C ATOM 9849 N9 G B 514 -911.395 -58.061 108.907 1.00855.43 N ATOM 9850 C8 G B 514 -911.511 -59.343 108.434 1.00855.43 C ATOM 9851 N7 G B 514 -912.510 -59.500 107.607 1.00855.43 N ATOM 9852 C5 G B 514 -913.094 -58.239 107.529 1.00855.43 C ATOM 9853 C6 G B 514 -914.231 -57.799 106.806 1.00855.43 C ATOM 9854 O6 G B 514 -914.982 -58.455 106.074 1.00855.43 O ATOM 9855 N1 G B 514 -914.467 -56.445 107.009 1.00855.43 N ATOM 9856 C2 G B 514 -913.721 -55.622 107.812 1.00855.43 C ATOM 9857 N2 G B 514 -914.110 -54.340 107.865 1.00855.43 N ATOM 9858 N3 G B 514 -912.676 -56.025 108.508 1.00855.43 N ATOM 9859 C4 G B 514 -912.418 -57.338 108.321 1.00855.43 C ATOM 9860 P A B 515 -909.722 -52.889 109.882 1.00855.43 P ATOM 9861 O1P A B 515 -911.153 -52.522 109.741 1.00855.43 O ATOM 9862 O2P A B 515 -908.914 -53.161 108.667 1.00855.43 O ATOM 9863 O5* A B 515 -908.995 -51.742 110.713 1.00855.43 O ATOM 9864 C5* A B 515 -909.677 -51.040 111.752 1.00855.43 C ATOM 9865 C4* A B 515 -909.004 -49.712 112.002 1.00855.43 C ATOM 9866 O4* A B 515 -909.943 -48.784 112.607 1.00855.43 O ATOM 9867 C3* A B 515 -907.803 -49.705 112.925 1.00855.43 C ATOM 9868 O3* A B 515 -906.617 -50.103 112.238 1.00855.43 O ATOM 9869 C2* A B 515 -907.763 -48.263 113.418 1.00855.43 C ATOM 9870 O2* A B 515 -907.117 -47.403 112.500 1.00855.43 O ATOM 9871 C1* A B 515 -909.251 -47.907 113.487 1.00855.43 C ATOM 9872 N9 A B 515 -909.847 -48.049 114.819 1.00855.43 N ATOM 9873 C8 A B 515 -910.104 -49.229 115.467 1.00855.43 C ATOM 9874 N7 A B 515 -910.658 -49.078 116.646 1.00855.43 N ATOM 9875 C5 A B 515 -910.766 -47.703 116.794 1.00855.43 C ATOM 9876 C6 A B 515 -911.278 -46.896 117.843 1.00855.43 C ATOM 9877 N6 A B 515 -911.783 -47.378 118.983 1.00855.43 N ATOM 9878 N1 A B 515 -911.246 -45.555 117.677 1.00855.43 N ATOM 9879 C2 A B 515 -910.733 -45.067 116.533 1.00855.43 C ATOM 9880 N3 A B 515 -910.226 -45.720 115.478 1.00855.43 N ATOM 9881 C4 A B 515 -910.270 -47.052 115.675 1.00855.43 C ATOM 9882 P G B 516 -905.632 -51.190 112.899 1.00855.43 P ATOM 9883 O1P G B 516 -904.237 -50.749 112.640 1.00855.43 O ATOM 9884 O2P G B 516 -906.066 -52.545 112.470 1.00855.43 O ATOM 9885 O5* G B 516 -905.909 -51.048 114.460 1.00855.43 O ATOM 9886 C5* G B 516 -905.271 -50.018 115.206 1.00855.43 C ATOM 9887 C4* G B 516 -905.910 -49.887 116.566 1.00855.43 C ATOM 9888 O4* G B 516 -907.329 -50.176 116.462 1.00855.43 O ATOM 9889 C3* G B 516 -905.425 -50.810 117.669 1.00855.43 C ATOM 9890 O3* G B 516 -904.249 -50.310 118.272 1.00855.43 O ATOM 9891 C2* G B 516 -906.604 -50.807 118.628 1.00855.43 C ATOM 9892 O2* G B 516 -906.645 -49.641 119.424 1.00855.43 O ATOM 9893 C1* G B 516 -907.782 -50.789 117.658 1.00855.43 C ATOM 9894 N9 G B 516 -908.198 -52.152 117.348 1.00855.43 N ATOM 9895 C8 G B 516 -908.254 -52.732 116.105 1.00855.43 C ATOM 9896 N7 G B 516 -908.624 -53.982 116.135 1.00855.43 N ATOM 9897 C5 G B 516 -908.836 -54.243 117.483 1.00855.43 C ATOM 9898 C6 G B 516 -909.247 -55.431 118.137 1.00855.43 C ATOM 9899 O6 G B 516 -909.508 -56.530 117.637 1.00855.43 O ATOM 9900 N1 G B 516 -909.342 -55.250 119.512 1.00855.43 N ATOM 9901 C2 G B 516 -909.070 -54.080 120.177 1.00855.43 C ATOM 9902 N2 G B 516 -909.224 -54.104 121.507 1.00855.43 N ATOM 9903 N3 G B 516 -908.679 -52.968 119.579 1.00855.43 N ATOM 9904 C4 G B 516 -908.582 -53.119 118.243 1.00855.43 C ATOM 9905 P A B 517 -903.498 -51.188 119.388 1.00855.43 P ATOM 9906 O1P A B 517 -902.179 -51.588 118.836 1.00855.43 O ATOM 9907 O2P A B 517 -904.439 -52.230 119.877 1.00855.43 O ATOM 9908 O5* A B 517 -903.252 -50.143 120.560 1.00855.43 O ATOM 9909 C5* A B 517 -902.857 -48.817 120.257 1.00855.43 C ATOM 9910 C4* A B 517 -902.813 -47.988 121.514 1.00855.43 C ATOM 9911 O4* A B 517 -904.145 -47.847 122.080 1.00855.43 O ATOM 9912 C3* A B 517 -902.016 -48.537 122.666 1.00855.43 C ATOM 9913 O3* A B 517 -900.640 -48.303 122.428 1.00855.43 O ATOM 9914 C2* A B 517 -902.572 -47.775 123.863 1.00855.43 C ATOM 9915 O2* A B 517 -901.996 -46.492 124.009 1.00855.43 O ATOM 9916 C1* A B 517 -904.046 -47.641 123.482 1.00855.43 C ATOM 9917 N9 A B 517 -904.845 -48.652 124.173 1.00855.43 N ATOM 9918 C8 A B 517 -905.380 -49.820 123.685 1.00855.43 C ATOM 9919 N7 A B 517 -906.006 -50.533 124.589 1.00855.43 N ATOM 9920 C5 A B 517 -905.880 -49.781 125.751 1.00855.43 C ATOM 9921 C6 A B 517 -906.318 -49.995 127.071 1.00855.43 C ATOM 9922 N6 A B 517 -906.982 -51.080 127.471 1.00855.43 N ATOM 9923 N1 A B 517 -906.032 -49.044 127.986 1.00855.43 N ATOM 9924 C2 A B 517 -905.348 -47.961 127.596 1.00855.43 C ATOM 9925 N3 A B 517 -904.878 -47.653 126.392 1.00855.43 N ATOM 9926 C4 A B 517 -905.180 -48.615 125.505 1.00855.43 C ATOM 9927 P A B 518 -899.623 -49.547 122.467 1.00855.43 P ATOM 9928 O1P A B 518 -900.363 -50.732 121.970 1.00855.43 O ATOM 9929 O2P A B 518 -898.984 -49.587 123.808 1.00855.43 O ATOM 9930 O5* A B 518 -898.514 -49.168 121.389 1.00855.43 O ATOM 9931 C5* A B 518 -898.501 -49.790 120.112 1.00855.43 C ATOM 9932 C4* A B 518 -898.094 -48.791 119.060 1.00855.43 C ATOM 9933 O4* A B 518 -896.923 -48.068 119.499 1.00855.43 O ATOM 9934 C3* A B 518 -897.730 -49.333 117.678 1.00855.43 C ATOM 9935 O3* A B 518 -898.888 -49.496 116.868 1.00855.43 O ATOM 9936 C2* A B 518 -896.830 -48.235 117.112 1.00855.43 C ATOM 9937 O2* A B 518 -897.566 -47.212 116.469 1.00855.43 O ATOM 9938 C1* A B 518 -896.176 -47.660 118.375 1.00855.43 C ATOM 9939 N9 A B 518 -894.778 -48.020 118.601 1.00855.43 N ATOM 9940 C8 A B 518 -894.180 -49.244 118.434 1.00855.43 C ATOM 9941 N7 A B 518 -892.912 -49.263 118.765 1.00855.43 N ATOM 9942 C5 A B 518 -892.655 -47.960 119.166 1.00855.43 C ATOM 9943 C6 A B 518 -891.492 -47.329 119.642 1.00855.43 C ATOM 9944 N6 A B 518 -890.326 -47.957 119.806 1.00855.43 N ATOM 9945 N1 A B 518 -891.572 -46.018 119.950 1.00855.43 N ATOM 9946 C2 A B 518 -892.743 -45.392 119.793 1.00855.43 C ATOM 9947 N3 A B 518 -893.905 -45.874 119.360 1.00855.43 N ATOM 9948 C4 A B 518 -893.792 -47.180 119.062 1.00855.43 C ATOM 9949 P C B 519 -898.935 -50.636 115.740 1.00855.43 P ATOM 9950 O1P C B 519 -898.969 -51.957 116.416 1.00855.43 O ATOM 9951 O2P C B 519 -897.873 -50.350 114.740 1.00855.43 O ATOM 9952 O5* C B 519 -900.353 -50.390 115.052 1.00855.43 O ATOM 9953 C5* C B 519 -900.525 -49.330 114.116 1.00855.43 C ATOM 9954 C4* C B 519 -901.941 -48.800 114.157 1.00855.43 C ATOM 9955 O4* C B 519 -902.187 -48.116 115.419 1.00855.43 O ATOM 9956 C3* C B 519 -902.251 -47.693 113.176 1.00855.43 C ATOM 9957 O3* C B 519 -902.522 -48.296 111.913 1.00855.43 O ATOM 9958 C2* C B 519 -903.457 -46.960 113.766 1.00855.43 C ATOM 9959 O2* C B 519 -904.678 -47.541 113.352 1.00855.43 O ATOM 9960 C1* C B 519 -903.257 -47.188 115.270 1.00855.43 C ATOM 9961 N1 C B 519 -902.918 -45.952 116.022 1.00855.43 N ATOM 9962 C2 C B 519 -903.894 -45.336 116.847 1.00855.43 C ATOM 9963 O2 C B 519 -905.020 -45.821 116.942 1.00855.43 O ATOM 9964 N3 C B 519 -903.576 -44.210 117.526 1.00855.43 N ATOM 9965 C4 C B 519 -902.359 -43.689 117.421 1.00855.43 C ATOM 9966 N4 C B 519 -902.114 -42.567 118.130 1.00855.43 N ATOM 9967 C5 C B 519 -901.350 -44.282 116.601 1.00855.43 C ATOM 9968 C6 C B 519 -901.667 -45.404 115.923 1.00855.43 C ATOM 9969 P C B 520 -902.104 -47.522 110.564 1.00855.43 P ATOM 9970 O1P C B 520 -901.152 -48.393 109.826 1.00855.43 O ATOM 9971 O2P C B 520 -901.701 -46.145 110.933 1.00855.43 O ATOM 9972 O5* C B 520 -903.449 -47.439 109.719 1.00855.43 O ATOM 9973 C5* C B 520 -904.717 -47.436 110.366 1.00855.43 C ATOM 9974 C4* C B 520 -905.825 -47.281 109.351 1.00855.43 C ATOM 9975 O4* C B 520 -905.779 -45.951 108.770 1.00855.43 O ATOM 9976 C3* C B 520 -905.774 -48.231 108.169 1.00855.43 C ATOM 9977 O3* C B 520 -906.408 -49.465 108.483 1.00855.43 O ATOM 9978 C2* C B 520 -906.528 -47.469 107.087 1.00855.43 C ATOM 9979 O2* C B 520 -907.927 -47.625 107.167 1.00855.43 O ATOM 9980 C1* C B 520 -906.153 -46.018 107.407 1.00855.43 C ATOM 9981 N1 C B 520 -905.032 -45.570 106.572 1.00855.43 N ATOM 9982 C2 C B 520 -905.325 -45.062 105.310 1.00855.43 C ATOM 9983 O2 C B 520 -906.515 -44.965 104.976 1.00855.43 O ATOM 9984 N3 C B 520 -904.317 -44.688 104.492 1.00855.43 N ATOM 9985 C4 C B 520 -903.052 -44.805 104.903 1.00855.43 C ATOM 9986 N4 C B 520 -902.085 -44.451 104.052 1.00855.43 N ATOM 9987 C5 C B 520 -902.725 -45.297 106.201 1.00855.43 C ATOM 9988 C6 C B 520 -903.737 -45.663 106.996 1.00855.43 C ATOM 9989 P U B 521 -905.819 -50.834 107.881 1.00855.43 P ATOM 9990 O1P U B 521 -906.548 -51.957 108.521 1.00855.43 O ATOM 9991 O2P U B 521 -904.339 -50.768 107.982 1.00855.43 O ATOM 9992 O5* U B 521 -906.217 -50.788 106.338 1.00855.43 O ATOM 9993 C5* U B 521 -907.573 -50.605 105.940 1.00855.43 C ATOM 9994 C4* U B 521 -907.653 -50.277 104.462 1.00855.43 C ATOM 9995 O4* U B 521 -907.012 -49.000 104.223 1.00855.43 O ATOM 9996 C3* U B 521 -906.932 -51.281 103.555 1.00855.43 C ATOM 9997 O3* U B 521 -907.763 -52.363 103.122 1.00855.43 O ATOM 9998 C2* U B 521 -906.537 -50.417 102.357 1.00855.43 C ATOM 9999 O2* U B 521 -907.587 -50.286 101.416 1.00855.43 O ATOM 10000 C1* U B 521 -906.290 -49.050 103.005 1.00855.43 C ATOM 10001 N1 U B 521 -904.881 -48.733 103.274 1.00855.43 N ATOM 10002 C2 U B 521 -904.086 -48.340 102.208 1.00855.43 C ATOM 10003 O2 U B 521 -904.502 -48.259 101.064 1.00855.43 O ATOM 10004 N3 U B 521 -902.785 -48.046 102.528 1.00855.43 N ATOM 10005 C4 U B 521 -902.209 -48.107 103.780 1.00855.43 C ATOM 10006 O4 U B 521 -901.018 -47.812 103.914 1.00855.43 O ATOM 10007 C5 U B 521 -903.093 -48.520 104.827 1.00855.43 C ATOM 10008 C6 U B 521 -904.365 -48.817 104.546 1.00855.43 C ATOM 10009 P G B 522 -907.230 -53.880 103.208 1.00855.43 P ATOM 10010 O1P G B 522 -907.839 -54.619 102.076 1.00855.43 O ATOM 10011 O2P G B 522 -907.424 -54.371 104.599 1.00855.43 O ATOM 10012 O5* G B 522 -905.668 -53.783 102.922 1.00855.43 O ATOM 10013 C5* G B 522 -905.183 -53.533 101.609 1.00855.43 C ATOM 10014 C4* G B 522 -903.705 -53.271 101.663 1.00855.43 C ATOM 10015 O4* G B 522 -903.469 -52.292 102.699 1.00855.43 O ATOM 10016 C3* G B 522 -902.767 -54.402 102.070 1.00855.43 C ATOM 10017 O3* G B 522 -902.442 -55.190 100.941 1.00855.43 O ATOM 10018 C2* G B 522 -901.533 -53.697 102.611 1.00855.43 C ATOM 10019 O2* G B 522 -900.588 -53.365 101.615 1.00855.43 O ATOM 10020 C1* G B 522 -902.142 -52.414 103.148 1.00855.43 C ATOM 10021 N9 G B 522 -902.095 -52.249 104.591 1.00855.43 N ATOM 10022 C8 G B 522 -902.867 -52.782 105.597 1.00855.43 C ATOM 10023 N7 G B 522 -902.477 -52.393 106.784 1.00855.43 N ATOM 10024 C5 G B 522 -901.398 -51.562 106.518 1.00855.43 C ATOM 10025 C6 G B 522 -900.543 -50.837 107.386 1.00855.43 C ATOM 10026 O6 G B 522 -900.572 -50.773 108.625 1.00855.43 O ATOM 10027 N1 G B 522 -899.572 -50.129 106.658 1.00855.43 N ATOM 10028 C2 G B 522 -899.457 -50.137 105.268 1.00855.43 C ATOM 10029 N2 G B 522 -898.489 -49.439 104.662 1.00855.43 N ATOM 10030 N3 G B 522 -900.247 -50.804 104.483 1.00855.43 N ATOM 10031 C4 G B 522 -901.174 -51.479 105.165 1.00855.43 C ATOM 10032 P A B 523 -901.702 -56.598 101.154 1.00855.43 P ATOM 10033 O1P A B 523 -902.761 -57.609 101.379 1.00855.43 O ATOM 10034 O2P A B 523 -900.628 -56.418 102.167 1.00855.43 O ATOM 10035 O5* A B 523 -901.021 -56.877 99.743 1.00855.43 O ATOM 10036 C5* A B 523 -901.805 -56.977 98.558 1.00855.43 C ATOM 10037 C4* A B 523 -900.962 -56.606 97.364 1.00855.43 C ATOM 10038 O4* A B 523 -900.658 -55.194 97.415 1.00855.43 O ATOM 10039 C3* A B 523 -899.609 -57.301 97.332 1.00855.43 C ATOM 10040 O3* A B 523 -899.692 -58.580 96.712 1.00855.43 O ATOM 10041 C2* A B 523 -898.740 -56.317 96.557 1.00855.43 C ATOM 10042 O2* A B 523 -898.877 -56.455 95.158 1.00855.43 O ATOM 10043 C1* A B 523 -899.322 -54.973 97.005 1.00855.43 C ATOM 10044 N9 A B 523 -898.628 -54.363 98.139 1.00855.43 N ATOM 10045 C8 A B 523 -898.923 -54.560 99.463 1.00855.43 C ATOM 10046 N7 A B 523 -898.167 -53.879 100.282 1.00855.43 N ATOM 10047 C5 A B 523 -897.306 -53.187 99.443 1.00855.43 C ATOM 10048 C6 A B 523 -896.265 -52.287 99.702 1.00855.43 C ATOM 10049 N6 A B 523 -895.904 -51.915 100.934 1.00855.43 N ATOM 10050 N1 A B 523 -895.598 -51.775 98.645 1.00855.43 N ATOM 10051 C2 A B 523 -895.962 -52.158 97.413 1.00855.43 C ATOM 10052 N3 A B 523 -896.925 -52.998 97.042 1.00855.43 N ATOM 10053 C4 A B 523 -897.572 -53.483 98.116 1.00855.43 C ATOM 10054 P A B 524 -899.153 -59.875 97.489 1.00855.43 P ATOM 10055 O1P A B 524 -899.471 -61.049 96.637 1.00855.43 O ATOM 10056 O2P A B 524 -899.638 -59.833 98.889 1.00855.43 O ATOM 10057 O5* A B 524 -897.573 -59.681 97.492 1.00855.43 O ATOM 10058 C5* A B 524 -896.822 -59.839 96.294 1.00855.43 C ATOM 10059 C4* A B 524 -895.369 -59.503 96.531 1.00855.43 C ATOM 10060 O4* A B 524 -895.229 -58.145 97.023 1.00855.43 O ATOM 10061 C3* A B 524 -894.609 -60.287 97.586 1.00855.43 C ATOM 10062 O3* A B 524 -894.227 -61.553 97.070 1.00855.43 O ATOM 10063 C2* A B 524 -893.408 -59.406 97.902 1.00855.43 C ATOM 10064 O2* A B 524 -892.326 -59.618 97.016 1.00855.43 O ATOM 10065 C1* A B 524 -893.978 -58.003 97.675 1.00855.43 C ATOM 10066 N9 A B 524 -894.171 -57.283 98.930 1.00855.43 N ATOM 10067 C8 A B 524 -894.690 -57.749 100.112 1.00855.43 C ATOM 10068 N7 A B 524 -894.714 -56.852 101.070 1.00855.43 N ATOM 10069 C5 A B 524 -894.175 -55.719 100.477 1.00855.43 C ATOM 10070 C6 A B 524 -893.933 -54.421 100.961 1.00855.43 C ATOM 10071 N6 A B 524 -894.202 -54.034 102.207 1.00855.43 N ATOM 10072 N1 A B 524 -893.394 -53.524 100.105 1.00855.43 N ATOM 10073 C2 A B 524 -893.123 -53.914 98.855 1.00855.43 C ATOM 10074 N3 A B 524 -893.307 -55.101 98.283 1.00855.43 N ATOM 10075 C4 A B 524 -893.845 -55.968 99.156 1.00855.43 C ATOM 10076 P A B 525 -893.520 -62.616 98.044 1.00855.43 P ATOM 10077 O1P A B 525 -893.932 -63.974 97.644 1.00855.43 O ATOM 10078 O2P A B 525 -893.743 -62.171 99.442 1.00855.43 O ATOM 10079 O5* A B 525 -891.970 -62.451 97.718 1.00855.43 O ATOM 10080 C5* A B 525 -891.447 -62.798 96.438 1.00855.43 C ATOM 10081 C4* A B 525 -889.940 -62.756 96.478 1.00855.43 C ATOM 10082 O4* A B 525 -889.499 -61.390 96.675 1.00855.43 O ATOM 10083 C3* A B 525 -889.252 -63.518 97.588 1.00855.43 C ATOM 10084 O3* A B 525 -889.152 -64.893 97.233 1.00855.43 O ATOM 10085 C2* A B 525 -887.902 -62.823 97.714 1.00855.43 C ATOM 10086 O2* A B 525 -886.941 -63.325 96.805 1.00855.43 O ATOM 10087 C1* A B 525 -888.254 -61.379 97.346 1.00855.43 C ATOM 10088 N9 A B 525 -888.377 -60.476 98.492 1.00855.43 N ATOM 10089 C8 A B 525 -887.853 -60.647 99.747 1.00855.43 C ATOM 10090 N7 A B 525 -888.148 -59.679 100.582 1.00855.43 N ATOM 10091 C5 A B 525 -888.914 -58.806 99.821 1.00855.43 C ATOM 10092 C6 A B 525 -889.537 -57.586 100.127 1.00855.43 C ATOM 10093 N6 A B 525 -889.490 -57.011 101.331 1.00855.43 N ATOM 10094 N1 A B 525 -890.225 -56.969 99.141 1.00855.43 N ATOM 10095 C2 A B 525 -890.276 -57.551 97.937 1.00855.43 C ATOM 10096 N3 A B 525 -889.734 -58.695 97.530 1.00855.43 N ATOM 10097 C4 A B 525 -889.058 -59.283 98.532 1.00855.43 C ATOM 10098 P C B 526 -889.795 -66.007 98.195 1.00855.43 P ATOM 10099 O1P C B 526 -889.581 -67.329 97.553 1.00855.43 O ATOM 10100 O2P C B 526 -891.171 -65.586 98.561 1.00855.43 O ATOM 10101 O5* C B 526 -888.885 -65.932 99.497 1.00855.43 O ATOM 10102 C5* C B 526 -887.465 -65.969 99.387 1.00855.43 C ATOM 10103 C4* C B 526 -886.830 -65.480 100.662 1.00855.43 C ATOM 10104 O4* C B 526 -887.051 -64.055 100.831 1.00855.43 O ATOM 10105 C3* C B 526 -887.438 -66.150 101.892 1.00855.43 C ATOM 10106 O3* C B 526 -886.765 -67.352 102.225 1.00855.43 O ATOM 10107 C2* C B 526 -887.306 -65.076 102.967 1.00855.43 C ATOM 10108 O2* C B 526 -886.031 -65.067 103.570 1.00855.43 O ATOM 10109 C1* C B 526 -887.503 -63.796 102.152 1.00855.43 C ATOM 10110 N1 C B 526 -888.920 -63.403 102.099 1.00855.43 N ATOM 10111 C2 C B 526 -889.559 -63.027 103.288 1.00855.43 C ATOM 10112 O2 C B 526 -888.907 -63.020 104.344 1.00855.43 O ATOM 10113 N3 C B 526 -890.866 -62.683 103.256 1.00855.43 N ATOM 10114 C4 C B 526 -891.534 -62.707 102.100 1.00855.43 C ATOM 10115 N4 C B 526 -892.825 -62.365 102.119 1.00855.43 N ATOM 10116 C5 C B 526 -890.907 -63.082 100.874 1.00855.43 C ATOM 10117 C6 C B 526 -889.612 -63.415 100.921 1.00855.43 C ATOM 10118 P C B 527 -887.625 -68.683 102.474 1.00855.43 P ATOM 10119 O1P C B 527 -886.708 -69.730 102.986 1.00855.43 O ATOM 10120 O2P C B 527 -888.428 -68.944 101.250 1.00855.43 O ATOM 10121 O5* C B 527 -888.625 -68.265 103.639 1.00855.43 O ATOM 10122 C5* C B 527 -888.123 -67.858 104.907 1.00855.43 C ATOM 10123 C4* C B 527 -889.202 -67.150 105.692 1.00855.43 C ATOM 10124 O4* C B 527 -889.757 -66.060 104.914 1.00855.43 O ATOM 10125 C3* C B 527 -890.417 -67.968 106.075 1.00855.43 C ATOM 10126 O3* C B 527 -890.153 -68.760 107.225 1.00855.43 O ATOM 10127 C2* C B 527 -891.476 -66.903 106.337 1.00855.43 C ATOM 10128 O2* C B 527 -891.376 -66.349 107.631 1.00855.43 O ATOM 10129 C1* C B 527 -891.107 -65.841 105.297 1.00855.43 C ATOM 10130 N1 C B 527 -891.951 -65.936 104.092 1.00855.43 N ATOM 10131 C2 C B 527 -893.071 -65.097 103.980 1.00855.43 C ATOM 10132 O2 C B 527 -893.312 -64.286 104.886 1.00855.43 O ATOM 10133 N3 C B 527 -893.861 -65.194 102.888 1.00855.43 N ATOM 10134 C4 C B 527 -893.570 -66.076 101.929 1.00855.43 C ATOM 10135 N4 C B 527 -894.384 -66.142 100.872 1.00855.43 N ATOM 10136 C5 C B 527 -892.435 -66.935 102.014 1.00855.43 C ATOM 10137 C6 C B 527 -891.657 -66.830 103.101 1.00855.43 C ATOM 10138 P G B 528 -890.979 -70.120 107.450 1.00855.43 P ATOM 10139 O1P G B 528 -890.451 -70.757 108.684 1.00855.43 O ATOM 10140 O2P G B 528 -890.980 -70.882 106.176 1.00855.43 O ATOM 10141 O5* G B 528 -892.460 -69.615 107.743 1.00855.43 O ATOM 10142 C5* G B 528 -892.977 -69.646 109.067 1.00855.43 C ATOM 10143 C4* G B 528 -894.414 -70.116 109.086 1.00855.43 C ATOM 10144 O4* G B 528 -895.306 -69.095 108.570 1.00855.43 O ATOM 10145 C3* G B 528 -894.739 -71.348 108.265 1.00855.43 C ATOM 10146 O3* G B 528 -894.416 -72.562 108.929 1.00855.43 O ATOM 10147 C2* G B 528 -896.250 -71.232 108.101 1.00855.43 C ATOM 10148 O2* G B 528 -896.921 -71.729 109.236 1.00855.43 O ATOM 10149 C1* G B 528 -896.456 -69.717 108.017 1.00855.43 C ATOM 10150 N9 G B 528 -896.643 -69.277 106.636 1.00855.43 N ATOM 10151 C8 G B 528 -895.712 -68.713 105.798 1.00855.43 C ATOM 10152 N7 G B 528 -896.184 -68.468 104.604 1.00855.43 N ATOM 10153 C5 G B 528 -897.508 -68.886 104.662 1.00855.43 C ATOM 10154 C6 G B 528 -898.526 -68.882 103.667 1.00855.43 C ATOM 10155 O6 G B 528 -898.462 -68.501 102.495 1.00855.43 O ATOM 10156 N1 G B 528 -899.722 -69.389 104.154 1.00855.43 N ATOM 10157 C2 G B 528 -899.920 -69.849 105.425 1.00855.43 C ATOM 10158 N2 G B 528 -901.149 -70.295 105.685 1.00855.43 N ATOM 10159 N3 G B 528 -898.984 -69.872 106.364 1.00855.43 N ATOM 10160 C4 G B 528 -897.810 -69.376 105.916 1.00855.43 C ATOM 10161 P U B 529 -894.275 -73.920 108.074 1.00855.43 P ATOM 10162 O1P U B 529 -893.550 -74.905 108.914 1.00855.43 O ATOM 10163 O2P U B 529 -893.746 -73.571 106.732 1.00855.43 O ATOM 10164 O5* U B 529 -895.774 -74.429 107.897 1.00855.43 O ATOM 10165 C5* U B 529 -896.424 -75.161 108.933 1.00855.43 C ATOM 10166 C4* U B 529 -897.845 -75.480 108.539 1.00855.43 C ATOM 10167 O4* U B 529 -898.519 -74.268 108.114 1.00855.43 O ATOM 10168 C3* U B 529 -898.102 -76.445 107.394 1.00855.43 C ATOM 10169 O3* U B 529 -897.976 -77.791 107.812 1.00855.43 O ATOM 10170 C2* U B 529 -899.526 -76.100 106.983 1.00855.43 C ATOM 10171 O2* U B 529 -900.496 -76.709 107.815 1.00855.43 O ATOM 10172 C1* U B 529 -899.548 -74.589 107.192 1.00855.43 C ATOM 10173 N1 U B 529 -899.278 -73.864 105.945 1.00855.43 N ATOM 10174 C2 U B 529 -900.305 -73.750 105.030 1.00855.43 C ATOM 10175 O2 U B 529 -901.423 -74.196 105.226 1.00855.43 O ATOM 10176 N3 U B 529 -899.971 -73.090 103.873 1.00855.43 N ATOM 10177 C4 U B 529 -898.741 -72.543 103.553 1.00855.43 C ATOM 10178 O4 U B 529 -898.587 -71.989 102.468 1.00855.43 O ATOM 10179 C5 U B 529 -897.741 -72.697 104.561 1.00855.43 C ATOM 10180 C6 U B 529 -898.038 -73.335 105.695 1.00855.43 C ATOM 10181 P G B 530 -897.812 -78.941 106.703 1.00855.43 P ATOM 10182 O1P G B 530 -897.445 -80.197 107.409 1.00855.43 O ATOM 10183 O2P G B 530 -896.930 -78.418 105.628 1.00855.43 O ATOM 10184 O5* G B 530 -899.281 -79.106 106.110 1.00855.43 O ATOM 10185 C5* G B 530 -900.339 -79.598 106.927 1.00855.43 C ATOM 10186 C4* G B 530 -901.682 -79.303 106.296 1.00855.43 C ATOM 10187 O4* G B 530 -901.786 -77.896 105.954 1.00855.43 O ATOM 10188 C3* G B 530 -901.978 -80.047 105.004 1.00855.43 C ATOM 10189 O3* G B 530 -902.482 -81.355 105.243 1.00855.43 O ATOM 10190 C2* G B 530 -903.007 -79.146 104.329 1.00855.43 C ATOM 10191 O2* G B 530 -904.316 -79.363 104.814 1.00855.43 O ATOM 10192 C1* G B 530 -902.530 -77.754 104.751 1.00855.43 C ATOM 10193 N9 G B 530 -901.677 -77.135 103.742 1.00855.43 N ATOM 10194 C8 G B 530 -900.378 -77.459 103.436 1.00855.43 C ATOM 10195 N7 G B 530 -899.884 -76.735 102.467 1.00855.43 N ATOM 10196 C5 G B 530 -900.921 -75.878 102.117 1.00855.43 C ATOM 10197 C6 G B 530 -900.978 -74.867 101.122 1.00855.43 C ATOM 10198 O6 G B 530 -900.098 -74.511 100.329 1.00855.43 O ATOM 10199 N1 G B 530 -902.221 -74.240 101.104 1.00855.43 N ATOM 10200 C2 G B 530 -903.272 -74.546 101.932 1.00855.43 C ATOM 10201 N2 G B 530 -904.391 -73.827 101.758 1.00855.43 N ATOM 10202 N3 G B 530 -903.230 -75.491 102.860 1.00855.43 N ATOM 10203 C4 G B 530 -902.032 -76.110 102.897 1.00855.43 C ATOM 10204 P G B 531 -902.172 -82.529 104.188 1.00855.43 P ATOM 10205 O1P G B 531 -902.615 -83.804 104.802 1.00855.43 O ATOM 10206 O2P G B 531 -900.764 -82.382 103.735 1.00855.43 O ATOM 10207 O5* G B 531 -903.130 -82.205 102.955 1.00855.43 O ATOM 10208 C5* G B 531 -904.541 -82.172 103.126 1.00855.43 C ATOM 10209 C4* G B 531 -905.181 -81.320 102.052 1.00855.43 C ATOM 10210 O4* G B 531 -904.503 -80.039 101.970 1.00855.43 O ATOM 10211 C3* G B 531 -905.147 -81.884 100.641 1.00855.43 C ATOM 10212 O3* G B 531 -906.269 -82.736 100.438 1.00855.43 O ATOM 10213 C2* G B 531 -905.219 -80.633 99.774 1.00855.43 C ATOM 10214 O2* G B 531 -906.543 -80.179 99.581 1.00855.43 O ATOM 10215 C1* G B 531 -904.451 -79.616 100.620 1.00855.43 C ATOM 10216 N9 G B 531 -903.052 -79.490 100.225 1.00855.43 N ATOM 10217 C8 G B 531 -902.033 -80.381 100.462 1.00855.43 C ATOM 10218 N7 G B 531 -900.886 -79.985 99.974 1.00855.43 N ATOM 10219 C5 G B 531 -901.167 -78.761 99.384 1.00855.43 C ATOM 10220 C6 G B 531 -900.321 -77.855 98.694 1.00855.43 C ATOM 10221 O6 G B 531 -899.112 -77.956 98.458 1.00855.43 O ATOM 10222 N1 G B 531 -901.019 -76.736 98.257 1.00855.43 N ATOM 10223 C2 G B 531 -902.360 -76.513 98.457 1.00855.43 C ATOM 10224 N2 G B 531 -902.853 -75.373 97.953 1.00855.43 N ATOM 10225 N3 G B 531 -903.158 -77.345 99.097 1.00855.43 N ATOM 10226 C4 G B 531 -902.501 -78.442 99.532 1.00855.43 C ATOM 10227 P A B 532 -906.142 -84.001 99.453 1.00855.43 P ATOM 10228 O1P A B 532 -907.203 -84.966 99.833 1.00855.43 O ATOM 10229 O2P A B 532 -904.721 -84.439 99.436 1.00855.43 O ATOM 10230 O5* A B 532 -906.499 -83.412 98.014 1.00855.43 O ATOM 10231 C5* A B 532 -907.688 -83.816 97.336 1.00855.43 C ATOM 10232 C4* A B 532 -907.560 -83.558 95.851 1.00855.43 C ATOM 10233 O4* A B 532 -907.420 -82.139 95.607 1.00855.43 O ATOM 10234 C3* A B 532 -906.383 -84.207 95.122 1.00855.43 C ATOM 10235 O3* A B 532 -906.631 -85.560 94.751 1.00855.43 O ATOM 10236 C2* A B 532 -906.215 -83.300 93.904 1.00855.43 C ATOM 10237 O2* A B 532 -907.103 -83.631 92.853 1.00855.43 O ATOM 10238 C1* A B 532 -906.597 -81.928 94.472 1.00855.43 C ATOM 10239 N9 A B 532 -905.451 -81.115 94.876 1.00855.43 N ATOM 10240 C8 A B 532 -905.208 -80.541 96.099 1.00855.43 C ATOM 10241 N7 A B 532 -904.096 -79.849 96.147 1.00855.43 N ATOM 10242 C5 A B 532 -903.569 -79.975 94.870 1.00855.43 C ATOM 10243 C6 A B 532 -902.403 -79.469 94.272 1.00855.43 C ATOM 10244 N6 A B 532 -901.518 -78.696 94.909 1.00855.43 N ATOM 10245 N1 A B 532 -902.170 -79.784 92.978 1.00855.43 N ATOM 10246 C2 A B 532 -903.058 -80.555 92.339 1.00855.43 C ATOM 10247 N3 A B 532 -904.193 -81.087 92.790 1.00855.43 N ATOM 10248 C4 A B 532 -904.392 -80.755 94.077 1.00855.43 C ATOM 10249 P C B 533 -905.396 -86.573 94.550 1.00855.43 P ATOM 10250 O1P C B 533 -905.924 -87.771 93.853 1.00855.43 O ATOM 10251 O2P C B 533 -904.704 -86.729 95.856 1.00855.43 O ATOM 10252 O5* C B 533 -904.419 -85.807 93.553 1.00855.43 O ATOM 10253 C5* C B 533 -904.736 -85.699 92.167 1.00855.43 C ATOM 10254 C4* C B 533 -903.497 -85.359 91.371 1.00855.43 C ATOM 10255 O4* C B 533 -903.156 -83.968 91.602 1.00855.43 O ATOM 10256 C3* C B 533 -902.229 -86.123 91.695 1.00855.43 C ATOM 10257 O3* C B 533 -902.185 -87.348 90.971 1.00855.43 O ATOM 10258 C2* C B 533 -901.131 -85.172 91.242 1.00855.43 C ATOM 10259 O2* C B 533 -900.866 -85.268 89.855 1.00855.43 O ATOM 10260 C1* C B 533 -901.751 -83.807 91.547 1.00855.43 C ATOM 10261 N1 C B 533 -901.296 -83.257 92.835 1.00855.43 N ATOM 10262 C2 C B 533 -900.110 -82.517 92.871 1.00855.43 C ATOM 10263 O2 C B 533 -899.491 -82.322 91.815 1.00855.43 O ATOM 10264 N3 C B 533 -899.668 -82.033 94.055 1.00855.43 N ATOM 10265 C4 C B 533 -900.369 -82.259 95.170 1.00855.43 C ATOM 10266 N4 C B 533 -899.888 -81.774 96.315 1.00855.43 N ATOM 10267 C5 C B 533 -901.589 -82.997 95.158 1.00855.43 C ATOM 10268 C6 C B 533 -902.011 -83.472 93.980 1.00855.43 C ATOM 10269 P U B 534 -901.231 -88.541 91.475 1.00855.43 P ATOM 10270 O1P U B 534 -901.672 -89.775 90.771 1.00855.43 O ATOM 10271 O2P U B 534 -901.194 -88.517 92.958 1.00855.43 O ATOM 10272 O5* U B 534 -899.783 -88.152 90.928 1.00855.43 O ATOM 10273 C5* U B 534 -899.537 -88.055 89.529 1.00855.43 C ATOM 10274 C4* U B 534 -898.211 -87.376 89.265 1.00855.43 C ATOM 10275 O4* U B 534 -898.243 -86.038 89.828 1.00855.43 O ATOM 10276 C3* U B 534 -896.993 -88.013 89.896 1.00855.43 C ATOM 10277 O3* U B 534 -896.482 -89.037 89.050 1.00855.43 O ATOM 10278 C2* U B 534 -896.015 -86.850 90.003 1.00855.43 C ATOM 10279 O2* U B 534 -895.319 -86.615 88.795 1.00855.43 O ATOM 10280 C1* U B 534 -896.952 -85.680 90.292 1.00855.43 C ATOM 10281 N1 U B 534 -897.027 -85.416 91.738 1.00855.43 N ATOM 10282 C2 U B 534 -896.009 -84.678 92.306 1.00855.43 C ATOM 10283 O2 U B 534 -895.089 -84.214 91.659 1.00855.43 O ATOM 10284 N3 U B 534 -896.110 -84.503 93.665 1.00855.43 N ATOM 10285 C4 U B 534 -897.108 -84.978 94.491 1.00855.43 C ATOM 10286 O4 U B 534 -897.050 -84.756 95.701 1.00855.43 O ATOM 10287 C5 U B 534 -898.135 -85.718 93.823 1.00855.43 C ATOM 10288 C6 U B 534 -898.064 -85.906 92.501 1.00855.43 C ATOM 10289 P U B 535 -895.549 -90.188 89.677 1.00855.43 P ATOM 10290 O1P U B 535 -895.098 -91.049 88.555 1.00855.43 O ATOM 10291 O2P U B 535 -896.272 -90.795 90.826 1.00855.43 O ATOM 10292 O5* U B 535 -894.284 -89.403 90.242 1.00855.43 O ATOM 10293 C5* U B 535 -893.298 -88.889 89.352 1.00855.43 C ATOM 10294 C4* U B 535 -892.088 -88.386 90.111 1.00855.43 C ATOM 10295 O4* U B 535 -892.417 -87.183 90.854 1.00855.43 O ATOM 10296 C3* U B 535 -891.583 -89.375 91.148 1.00855.43 C ATOM 10297 O3* U B 535 -890.680 -90.327 90.589 1.00855.43 O ATOM 10298 C2* U B 535 -890.876 -88.466 92.150 1.00855.43 C ATOM 10299 O2* U B 535 -889.553 -88.153 91.759 1.00855.43 O ATOM 10300 C1* U B 535 -891.725 -87.195 92.090 1.00855.43 C ATOM 10301 N1 U B 535 -892.693 -87.098 93.193 1.00855.43 N ATOM 10302 C2 U B 535 -892.245 -86.546 94.379 1.00855.43 C ATOM 10303 O2 U B 535 -891.119 -86.110 94.519 1.00855.43 O ATOM 10304 N3 U B 535 -893.171 -86.526 95.394 1.00855.43 N ATOM 10305 C4 U B 535 -894.470 -86.978 95.343 1.00855.43 C ATOM 10306 O4 U B 535 -895.167 -86.936 96.359 1.00855.43 O ATOM 10307 C5 U B 535 -894.866 -87.514 94.076 1.00855.43 C ATOM 10308 C6 U B 535 -893.986 -87.554 93.067 1.00855.43 C ATOM 10309 P A B 536 -890.402 -91.708 91.361 1.00855.43 P ATOM 10310 O1P A B 536 -890.269 -92.774 90.339 1.00855.43 O ATOM 10311 O2P A B 536 -891.418 -91.848 92.437 1.00855.43 O ATOM 10312 O5* A B 536 -888.980 -91.504 92.053 1.00855.43 O ATOM 10313 C5* A B 536 -887.780 -91.465 91.279 1.00855.43 C ATOM 10314 C4* A B 536 -886.578 -91.393 92.193 1.00855.43 C ATOM 10315 O4* A B 536 -886.465 -90.041 92.705 1.00855.43 O ATOM 10316 C3* A B 536 -886.578 -92.200 93.490 1.00855.43 C ATOM 10317 O3* A B 536 -886.201 -93.548 93.223 1.00855.43 O ATOM 10318 C2* A B 536 -885.581 -91.480 94.388 1.00855.43 C ATOM 10319 O2* A B 536 -884.258 -91.945 94.213 1.00855.43 O ATOM 10320 C1* A B 536 -885.686 -90.037 93.885 1.00855.43 C ATOM 10321 N9 A B 536 -886.330 -89.126 94.829 1.00855.43 N ATOM 10322 C8 A B 536 -887.256 -88.155 94.542 1.00855.43 C ATOM 10323 N7 A B 536 -887.648 -87.467 95.587 1.00855.43 N ATOM 10324 C5 A B 536 -886.936 -88.025 96.637 1.00855.43 C ATOM 10325 C6 A B 536 -886.898 -87.739 98.011 1.00855.43 C ATOM 10326 N6 A B 536 -887.617 -86.773 98.584 1.00855.43 N ATOM 10327 N1 A B 536 -886.082 -88.485 98.787 1.00855.43 N ATOM 10328 C2 A B 536 -885.356 -89.445 98.211 1.00855.43 C ATOM 10329 N3 A B 536 -885.302 -89.811 96.931 1.00855.43 N ATOM 10330 C4 A B 536 -886.123 -89.051 96.189 1.00855.43 C ATOM 10331 P C B 537 -887.276 -94.733 93.395 1.00855.43 P ATOM 10332 O1P C B 537 -888.582 -94.223 92.899 1.00855.43 O ATOM 10333 O2P C B 537 -887.175 -95.259 94.780 1.00855.43 O ATOM 10334 O5* C B 537 -886.774 -95.866 92.393 1.00855.43 O ATOM 10335 C5* C B 537 -886.945 -95.727 90.986 1.00855.43 C ATOM 10336 C4* C B 537 -886.052 -94.630 90.463 1.00855.43 C ATOM 10337 O4* C B 537 -884.688 -94.844 90.926 1.00855.43 O ATOM 10338 C3* C B 537 -885.913 -94.484 88.965 1.00855.43 C ATOM 10339 O3* C B 537 -887.013 -93.758 88.420 1.00855.43 O ATOM 10340 C2* C B 537 -884.596 -93.730 88.828 1.00855.43 C ATOM 10341 O2* C B 537 -884.740 -92.339 89.013 1.00855.43 O ATOM 10342 C1* C B 537 -883.777 -94.321 89.972 1.00855.43 C ATOM 10343 N1 C B 537 -882.885 -95.400 89.508 1.00855.43 N ATOM 10344 C2 C B 537 -882.047 -96.017 90.440 1.00855.43 C ATOM 10345 O2 C B 537 -882.077 -95.641 91.621 1.00855.43 O ATOM 10346 N3 C B 537 -881.227 -97.012 90.032 1.00855.43 N ATOM 10347 C4 C B 537 -881.223 -97.392 88.758 1.00855.43 C ATOM 10348 N4 C B 537 -880.417 -98.388 88.410 1.00855.43 N ATOM 10349 C5 C B 537 -882.054 -96.769 87.781 1.00855.43 C ATOM 10350 C6 C B 537 -882.866 -95.787 88.196 1.00855.43 C ATOM 10351 P A B 538 -887.122 -93.585 86.825 1.00855.43 P ATOM 10352 O1P A B 538 -888.523 -93.231 86.493 1.00855.43 O ATOM 10353 O2P A B 538 -886.535 -94.808 86.239 1.00855.43 O ATOM 10354 O5* A B 538 -886.210 -92.322 86.483 1.00855.43 O ATOM 10355 C5* A B 538 -886.792 -91.022 86.328 1.00855.43 C ATOM 10356 C4* A B 538 -885.731 -89.952 86.458 1.00855.43 C ATOM 10357 O4* A B 538 -884.981 -90.196 87.675 1.00855.43 O ATOM 10358 C3* A B 538 -884.651 -89.832 85.387 1.00855.43 C ATOM 10359 O3* A B 538 -885.093 -89.081 84.252 1.00855.43 O ATOM 10360 C2* A B 538 -883.525 -89.120 86.129 1.00855.43 C ATOM 10361 O2* A B 538 -883.701 -87.720 86.165 1.00855.43 O ATOM 10362 C1* A B 538 -883.672 -89.687 87.543 1.00855.43 C ATOM 10363 N9 A B 538 -882.748 -90.782 87.842 1.00855.43 N ATOM 10364 C8 A B 538 -882.408 -91.827 87.022 1.00855.43 C ATOM 10365 N7 A B 538 -881.584 -92.685 87.576 1.00855.43 N ATOM 10366 C5 A B 538 -881.362 -92.162 88.842 1.00855.43 C ATOM 10367 C6 A B 538 -880.585 -92.607 89.924 1.00855.43 C ATOM 10368 N6 A B 538 -879.865 -93.733 89.907 1.00855.43 N ATOM 10369 N1 A B 538 -880.574 -91.850 91.043 1.00855.43 N ATOM 10370 C2 A B 538 -881.305 -90.729 91.064 1.00855.43 C ATOM 10371 N3 A B 538 -882.079 -90.210 90.115 1.00855.43 N ATOM 10372 C4 A B 538 -882.065 -90.982 89.017 1.00855.43 C ATOM 10373 P A B 539 -884.381 -89.282 82.821 1.00855.43 P ATOM 10374 O1P A B 539 -885.408 -88.995 81.785 1.00855.43 O ATOM 10375 O2P A B 539 -883.690 -90.587 82.823 1.00855.43 O ATOM 10376 O5* A B 539 -883.273 -88.140 82.742 1.00855.43 O ATOM 10377 C5* A B 539 -881.961 -88.350 83.254 1.00855.43 C ATOM 10378 C4* A B 539 -881.582 -87.218 84.178 1.00855.43 C ATOM 10379 O4* A B 539 -880.725 -87.696 85.242 1.00855.43 O ATOM 10380 C3* A B 539 -880.824 -86.047 83.594 1.00855.43 C ATOM 10381 O3* A B 539 -881.731 -85.151 82.957 1.00855.43 O ATOM 10382 C2* A B 539 -880.149 -85.414 84.810 1.00855.43 C ATOM 10383 O2* A B 539 -880.974 -84.469 85.456 1.00855.43 O ATOM 10384 C1* A B 539 -879.951 -86.621 85.735 1.00855.43 C ATOM 10385 N9 A B 539 -878.566 -87.064 85.876 1.00855.43 N ATOM 10386 C8 A B 539 -877.817 -87.853 85.038 1.00855.43 C ATOM 10387 N7 A B 539 -876.595 -88.067 85.469 1.00855.43 N ATOM 10388 C5 A B 539 -876.539 -87.371 86.669 1.00855.43 C ATOM 10389 C6 A B 539 -875.517 -87.208 87.621 1.00855.43 C ATOM 10390 N6 A B 539 -874.308 -87.754 87.510 1.00855.43 N ATOM 10391 N1 A B 539 -875.787 -86.452 88.708 1.00855.43 N ATOM 10392 C2 A B 539 -877.004 -85.909 88.823 1.00855.43 C ATOM 10393 N3 A B 539 -878.048 -85.994 88.002 1.00855.43 N ATOM 10394 C4 A B 539 -877.745 -86.749 86.930 1.00855.43 C ATOM 10395 P G B 540 -880.428 -83.798 81.894 1.00857.56 P ATOM 10396 O1P G B 540 -880.867 -84.253 80.552 1.00857.56 O ATOM 10397 O2P G B 540 -878.990 -83.532 82.146 1.00857.56 O ATOM 10398 O5* G B 540 -881.249 -82.480 82.256 1.00857.56 O ATOM 10399 C5* G B 540 -881.366 -82.044 83.610 1.00857.56 C ATOM 10400 C4* G B 540 -880.427 -80.892 83.870 1.00857.56 C ATOM 10401 O4* G B 540 -879.073 -81.270 83.533 1.00857.56 O ATOM 10402 C3* G B 540 -880.725 -79.615 83.077 1.00857.56 C ATOM 10403 O3* G B 540 -881.648 -78.770 83.758 1.00857.56 O ATOM 10404 C2* G B 540 -879.350 -78.961 82.964 1.00857.56 C ATOM 10405 O2* G B 540 -879.031 -78.172 84.096 1.00857.56 O ATOM 10406 C1* G B 540 -878.414 -80.175 82.924 1.00857.56 C ATOM 10407 N9 G B 540 -877.953 -80.597 81.605 1.00857.56 N ATOM 10408 C8 G B 540 -878.448 -80.226 80.375 1.00857.56 C ATOM 10409 N7 G B 540 -877.816 -80.789 79.381 1.00857.56 N ATOM 10410 C5 G B 540 -876.848 -81.577 79.991 1.00857.56 C ATOM 10411 C6 G B 540 -875.859 -82.429 79.426 1.00857.56 C ATOM 10412 O6 G B 540 -875.639 -82.671 78.232 1.00857.56 O ATOM 10413 N1 G B 540 -875.086 -83.034 80.410 1.00857.56 N ATOM 10414 C2 G B 540 -875.240 -82.851 81.760 1.00857.56 C ATOM 10415 N2 G B 540 -874.389 -83.523 82.551 1.00857.56 N ATOM 10416 N3 G B 540 -876.157 -82.065 82.299 1.00857.56 N ATOM 10417 C4 G B 540 -876.921 -81.467 81.362 1.00857.56 C ATOM 10418 P C B 541 -882.312 -77.521 82.994 1.00857.56 P ATOM 10419 O1P C B 541 -883.609 -77.259 83.663 1.00857.56 O ATOM 10420 O2P C B 541 -882.275 -77.775 81.533 1.00857.56 O ATOM 10421 O5* C B 541 -881.329 -76.315 83.331 1.00857.56 O ATOM 10422 C5* C B 541 -881.843 -75.074 83.808 1.00857.56 C ATOM 10423 C4* C B 541 -880.997 -74.569 84.949 1.00857.56 C ATOM 10424 O4* C B 541 -879.701 -74.171 84.437 1.00857.56 O ATOM 10425 C3* C B 541 -881.526 -73.317 85.642 1.00857.56 C ATOM 10426 O3* C B 541 -882.511 -73.630 86.634 1.00857.56 O ATOM 10427 C2* C B 541 -880.260 -72.700 86.235 1.00857.56 C ATOM 10428 O2* C B 541 -879.901 -73.263 87.480 1.00857.56 O ATOM 10429 C1* C B 541 -879.195 -73.096 85.209 1.00857.56 C ATOM 10430 N1 C B 541 -878.737 -72.037 84.286 1.00857.56 N ATOM 10431 C2 C B 541 -877.377 -71.690 84.256 1.00857.56 C ATOM 10432 O2 C B 541 -876.594 -72.243 85.037 1.00857.56 O ATOM 10433 N3 C B 541 -876.957 -70.756 83.371 1.00857.56 N ATOM 10434 C4 C B 541 -877.833 -70.174 82.546 1.00857.56 C ATOM 10435 N4 C B 541 -877.374 -69.279 81.676 1.00857.56 N ATOM 10436 C5 C B 541 -879.220 -70.494 82.575 1.00857.56 C ATOM 10437 C6 C B 541 -879.625 -71.420 83.452 1.00857.56 C ATOM 10438 P A B 542 -883.735 -72.615 86.897 1.00857.56 P ATOM 10439 O1P A B 542 -883.565 -71.446 85.999 1.00857.56 O ATOM 10440 O2P A B 542 -883.838 -72.407 88.367 1.00857.56 O ATOM 10441 O5* A B 542 -885.043 -73.403 86.444 1.00857.56 O ATOM 10442 C5* A B 542 -885.123 -74.039 85.175 1.00857.56 C ATOM 10443 C4* A B 542 -885.195 -73.008 84.075 1.00857.56 C ATOM 10444 O4* A B 542 -883.876 -72.835 83.498 1.00857.56 O ATOM 10445 C3* A B 542 -886.064 -73.355 82.885 1.00857.56 C ATOM 10446 O3* A B 542 -887.421 -73.037 83.175 1.00857.56 O ATOM 10447 C2* A B 542 -885.469 -72.532 81.753 1.00857.56 C ATOM 10448 O2* A B 542 -885.987 -71.230 81.627 1.00857.56 O ATOM 10449 C1* A B 542 -883.986 -72.525 82.121 1.00857.56 C ATOM 10450 N9 A B 542 -883.310 -73.583 81.383 1.00857.56 N ATOM 10451 C8 A B 542 -883.827 -74.817 81.081 1.00857.56 C ATOM 10452 N7 A B 542 -883.027 -75.560 80.360 1.00857.56 N ATOM 10453 C5 A B 542 -881.901 -74.768 80.188 1.00857.56 C ATOM 10454 C6 A B 542 -880.697 -74.981 79.508 1.00857.56 C ATOM 10455 N6 A B 542 -880.415 -76.104 78.842 1.00857.56 N ATOM 10456 N1 A B 542 -879.779 -73.993 79.534 1.00857.56 N ATOM 10457 C2 A B 542 -880.066 -72.867 80.196 1.00857.56 C ATOM 10458 N3 A B 542 -881.169 -72.545 80.870 1.00857.56 N ATOM 10459 C4 A B 542 -882.057 -73.551 80.823 1.00857.56 C ATOM 10460 P G B 543 -888.588 -74.022 82.680 1.00857.56 P ATOM 10461 O1P G B 543 -889.730 -73.895 83.618 1.00857.56 O ATOM 10462 O2P G B 543 -887.984 -75.354 82.424 1.00857.56 O ATOM 10463 O5* G B 543 -889.030 -73.399 81.287 1.00857.56 O ATOM 10464 C5* G B 543 -888.895 -72.009 81.045 1.00857.56 C ATOM 10465 C4* G B 543 -888.557 -71.779 79.607 1.00857.56 C ATOM 10466 O4* G B 543 -887.256 -72.364 79.308 1.00857.56 O ATOM 10467 C3* G B 543 -889.510 -72.454 78.675 1.00857.56 C ATOM 10468 O3* G B 543 -890.589 -71.569 78.412 1.00857.56 O ATOM 10469 C2* G B 543 -888.669 -72.682 77.447 1.00857.56 C ATOM 10470 O2* G B 543 -888.605 -71.502 76.672 1.00857.56 O ATOM 10471 C1* G B 543 -887.300 -73.016 78.048 1.00857.56 C ATOM 10472 N9 G B 543 -887.127 -74.453 78.270 1.00857.56 N ATOM 10473 C8 G B 543 -887.317 -75.107 79.466 1.00857.56 C ATOM 10474 N7 G B 543 -887.147 -76.398 79.380 1.00857.56 N ATOM 10475 C5 G B 543 -886.812 -76.621 78.055 1.00857.56 C ATOM 10476 C6 G B 543 -886.522 -77.840 77.370 1.00857.56 C ATOM 10477 O6 G B 543 -886.507 -78.992 77.816 1.00857.56 O ATOM 10478 N1 G B 543 -886.231 -77.619 76.032 1.00857.56 N ATOM 10479 C2 G B 543 -886.217 -76.398 75.421 1.00857.56 C ATOM 10480 N2 G B 543 -885.912 -76.405 74.113 1.00857.56 N ATOM 10481 N3 G B 543 -886.482 -75.253 76.042 1.00857.56 N ATOM 10482 C4 G B 543 -886.776 -75.436 77.350 1.00857.56 C ATOM 10483 P U B 544 -892.005 -71.820 79.130 1.00857.56 P ATOM 10484 O1P U B 544 -892.396 -70.573 79.825 1.00857.56 O ATOM 10485 O2P U B 544 -891.906 -73.086 79.897 1.00857.56 O ATOM 10486 O5* U B 544 -893.019 -72.094 77.935 1.00857.56 O ATOM 10487 C5* U B 544 -893.121 -71.210 76.824 1.00857.56 C ATOM 10488 C4* U B 544 -893.102 -72.005 75.540 1.00857.56 C ATOM 10489 O4* U B 544 -891.787 -72.570 75.331 1.00857.56 O ATOM 10490 C3* U B 544 -894.038 -73.201 75.511 1.00857.56 C ATOM 10491 O3* U B 544 -895.369 -72.837 75.168 1.00857.56 O ATOM 10492 C2* U B 544 -893.383 -74.120 74.483 1.00857.56 C ATOM 10493 O2* U B 544 -893.694 -73.806 73.142 1.00857.56 O ATOM 10494 C1* U B 544 -891.899 -73.845 74.724 1.00857.56 C ATOM 10495 N1 U B 544 -891.281 -74.837 75.613 1.00857.56 N ATOM 10496 C2 U B 544 -890.556 -75.870 75.041 1.00857.56 C ATOM 10497 O2 U B 544 -890.407 -75.997 73.840 1.00857.56 O ATOM 10498 N3 U B 544 -890.013 -76.755 75.934 1.00857.56 N ATOM 10499 C4 U B 544 -890.111 -76.717 77.307 1.00857.56 C ATOM 10500 O4 U B 544 -889.574 -77.602 77.974 1.00857.56 O ATOM 10501 C5 U B 544 -890.870 -75.620 77.823 1.00857.56 C ATOM 10502 C6 U B 544 -891.414 -74.740 76.978 1.00857.56 C ATOM 10503 P C B 545 -896.599 -73.639 75.810 1.00857.56 P ATOM 10504 O1P C B 545 -897.817 -72.805 75.631 1.00857.56 O ATOM 10505 O2P C B 545 -896.204 -74.082 77.170 1.00857.56 O ATOM 10506 O5* C B 545 -896.727 -74.917 74.873 1.00857.56 O ATOM 10507 C5* C B 545 -897.177 -74.783 73.532 1.00857.56 C ATOM 10508 C4* C B 545 -896.657 -75.916 72.687 1.00857.56 C ATOM 10509 O4* C B 545 -895.209 -76.006 72.795 1.00857.56 O ATOM 10510 C3* C B 545 -897.151 -77.310 73.030 1.00857.56 C ATOM 10511 O3* C B 545 -898.423 -77.586 72.470 1.00857.56 O ATOM 10512 C2* C B 545 -896.069 -78.196 72.432 1.00857.56 C ATOM 10513 O2* C B 545 -896.248 -78.368 71.044 1.00857.56 O ATOM 10514 C1* C B 545 -894.811 -77.360 72.670 1.00857.56 C ATOM 10515 N1 C B 545 -894.096 -77.768 73.886 1.00857.56 N ATOM 10516 C2 C B 545 -892.998 -78.627 73.761 1.00857.56 C ATOM 10517 O2 C B 545 -892.655 -78.998 72.629 1.00857.56 O ATOM 10518 N3 C B 545 -892.343 -79.033 74.873 1.00857.56 N ATOM 10519 C4 C B 545 -892.744 -78.612 76.074 1.00857.56 C ATOM 10520 N4 C B 545 -892.071 -79.044 77.143 1.00857.56 N ATOM 10521 C5 C B 545 -893.853 -77.729 76.231 1.00857.56 C ATOM 10522 C6 C B 545 -894.492 -77.337 75.121 1.00857.56 C ATOM 10523 P A B 546 -899.362 -78.694 73.156 1.00857.56 P ATOM 10524 O1P A B 546 -900.637 -78.733 72.396 1.00857.56 O ATOM 10525 O2P A B 546 -899.384 -78.448 74.620 1.00857.56 O ATOM 10526 O5* A B 546 -898.582 -80.054 72.890 1.00857.56 O ATOM 10527 C5* A B 546 -898.336 -80.490 71.563 1.00857.56 C ATOM 10528 C4* A B 546 -897.325 -81.611 71.548 1.00857.56 C ATOM 10529 O4* A B 546 -896.041 -81.168 72.060 1.00857.56 O ATOM 10530 C3* A B 546 -897.749 -82.765 72.445 1.00857.56 C ATOM 10531 O3* A B 546 -898.617 -83.658 71.768 1.00857.56 O ATOM 10532 C2* A B 546 -896.408 -83.402 72.803 1.00857.56 C ATOM 10533 O2* A B 546 -895.938 -84.285 71.805 1.00857.56 O ATOM 10534 C1* A B 546 -895.486 -82.183 72.878 1.00857.56 C ATOM 10535 N9 A B 546 -895.362 -81.668 74.242 1.00857.56 N ATOM 10536 C8 A B 546 -896.004 -80.600 74.814 1.00857.56 C ATOM 10537 N7 A B 546 -895.689 -80.406 76.071 1.00857.56 N ATOM 10538 C5 A B 546 -894.775 -81.412 76.344 1.00857.56 C ATOM 10539 C6 A B 546 -894.065 -81.760 77.512 1.00857.56 C ATOM 10540 N6 A B 546 -894.178 -81.105 78.669 1.00857.56 N ATOM 10541 N1 A B 546 -893.229 -82.819 77.446 1.00857.56 N ATOM 10542 C2 A B 546 -893.124 -83.480 76.287 1.00857.56 C ATOM 10543 N3 A B 546 -893.737 -83.254 75.128 1.00857.56 N ATOM 10544 C4 A B 546 -894.559 -82.195 75.226 1.00857.56 C ATOM 10545 P U B 547 -900.196 -83.551 72.010 1.00857.56 P ATOM 10546 O1P U B 547 -900.868 -83.730 70.697 1.00857.56 O ATOM 10547 O2P U B 547 -900.458 -82.326 72.810 1.00857.56 O ATOM 10548 O5* U B 547 -900.509 -84.820 72.916 1.00857.56 O ATOM 10549 C5* U B 547 -901.489 -85.765 72.509 1.00857.56 C ATOM 10550 C4* U B 547 -901.208 -87.118 73.116 1.00857.56 C ATOM 10551 O4* U B 547 -899.822 -87.492 72.893 1.00857.56 O ATOM 10552 C3* U B 547 -901.376 -87.242 74.617 1.00857.56 C ATOM 10553 O3* U B 547 -902.737 -87.419 74.955 1.00857.56 O ATOM 10554 C2* U B 547 -900.533 -88.465 74.940 1.00857.56 C ATOM 10555 O2* U B 547 -901.213 -89.679 74.692 1.00857.56 O ATOM 10556 C1* U B 547 -899.367 -88.300 73.968 1.00857.56 C ATOM 10557 N1 U B 547 -898.250 -87.616 74.634 1.00857.56 N ATOM 10558 C2 U B 547 -897.365 -88.395 75.349 1.00857.56 C ATOM 10559 O2 U B 547 -897.447 -89.606 75.403 1.00857.56 O ATOM 10560 N3 U B 547 -896.372 -87.698 75.996 1.00857.56 N ATOM 10561 C4 U B 547 -896.183 -86.331 75.998 1.00857.56 C ATOM 10562 O4 U B 547 -895.260 -85.846 76.653 1.00857.56 O ATOM 10563 C5 U B 547 -897.131 -85.598 75.215 1.00857.56 C ATOM 10564 C6 U B 547 -898.106 -86.249 74.573 1.00857.56 C ATOM 10565 P G B 548 -903.281 -86.795 76.331 1.00857.56 P ATOM 10566 O1P G B 548 -904.744 -86.608 76.179 1.00857.56 O ATOM 10567 O2P G B 548 -902.428 -85.626 76.660 1.00857.56 O ATOM 10568 O5* G B 548 -902.978 -87.929 77.412 1.00857.56 O ATOM 10569 C5* G B 548 -903.122 -89.313 77.098 1.00857.56 C ATOM 10570 C4* G B 548 -902.169 -90.134 77.932 1.00857.56 C ATOM 10571 O4* G B 548 -900.811 -89.741 77.617 1.00857.56 O ATOM 10572 C3* G B 548 -902.323 -89.938 79.422 1.00857.56 C ATOM 10573 O3* G B 548 -903.254 -90.893 79.911 1.00857.56 O ATOM 10574 C2* G B 548 -900.913 -90.143 79.957 1.00857.56 C ATOM 10575 O2* G B 548 -900.599 -91.507 80.156 1.00857.56 O ATOM 10576 C1* G B 548 -900.074 -89.570 78.814 1.00857.56 C ATOM 10577 N9 G B 548 -899.858 -88.140 78.988 1.00857.56 N ATOM 10578 C8 G B 548 -900.247 -87.144 78.128 1.00857.56 C ATOM 10579 N7 G B 548 -899.945 -85.949 78.557 1.00857.56 N ATOM 10580 C5 G B 548 -899.316 -86.171 79.772 1.00857.56 C ATOM 10581 C6 G B 548 -898.766 -85.259 80.704 1.00857.56 C ATOM 10582 O6 G B 548 -898.724 -84.024 80.644 1.00857.56 O ATOM 10583 N1 G B 548 -898.227 -85.915 81.800 1.00857.56 N ATOM 10584 C2 G B 548 -898.212 -87.272 81.984 1.00857.56 C ATOM 10585 N2 G B 548 -897.639 -87.708 83.115 1.00857.56 N ATOM 10586 N3 G B 548 -898.718 -88.138 81.126 1.00857.56 N ATOM 10587 C4 G B 548 -899.249 -87.522 80.049 1.00857.56 C ATOM 10588 P G B 549 -904.531 -90.392 80.747 1.00857.56 P ATOM 10589 O1P G B 549 -905.508 -91.511 80.793 1.00857.56 O ATOM 10590 O2P G B 549 -904.951 -89.074 80.209 1.00857.56 O ATOM 10591 O5* G B 549 -903.960 -90.168 82.216 1.00857.56 O ATOM 10592 C5* G B 549 -903.221 -91.196 82.869 1.00857.56 C ATOM 10593 C4* G B 549 -902.269 -90.609 83.885 1.00857.56 C ATOM 10594 O4* G B 549 -901.233 -89.832 83.231 1.00857.56 O ATOM 10595 C3* G B 549 -902.963 -89.649 84.835 1.00857.56 C ATOM 10596 O3* G B 549 -903.518 -90.330 85.950 1.00857.56 O ATOM 10597 C2* G B 549 -901.836 -88.709 85.244 1.00857.56 C ATOM 10598 O2* G B 549 -901.041 -89.233 86.289 1.00857.56 O ATOM 10599 C1* G B 549 -901.008 -88.635 83.961 1.00857.56 C ATOM 10600 N9 G B 549 -901.396 -87.497 83.130 1.00857.56 N ATOM 10601 C8 G B 549 -902.146 -87.521 81.978 1.00857.56 C ATOM 10602 N7 G B 549 -902.342 -86.331 81.471 1.00857.56 N ATOM 10603 C5 G B 549 -901.677 -85.474 82.337 1.00857.56 C ATOM 10604 C6 G B 549 -901.537 -84.056 82.304 1.00857.56 C ATOM 10605 O6 G B 549 -901.989 -83.256 81.474 1.00857.56 O ATOM 10606 N1 G B 549 -900.782 -83.591 83.374 1.00857.56 N ATOM 10607 C2 G B 549 -900.230 -84.386 84.356 1.00857.56 C ATOM 10608 N2 G B 549 -899.534 -83.751 85.310 1.00857.56 N ATOM 10609 N3 G B 549 -900.352 -85.704 84.396 1.00857.56 N ATOM 10610 C4 G B 549 -901.082 -86.178 83.364 1.00857.56 C ATOM 10611 P C B 550 -905.095 -90.635 85.978 1.00857.56 P ATOM 10612 O1P C B 550 -905.276 -92.022 86.487 1.00857.56 O ATOM 10613 O2P C B 550 -905.664 -90.260 84.660 1.00857.56 O ATOM 10614 O5* C B 550 -905.657 -89.623 87.074 1.00857.56 O ATOM 10615 C5* C B 550 -905.857 -90.050 88.416 1.00857.56 C ATOM 10616 C4* C B 550 -905.818 -88.871 89.363 1.00857.56 C ATOM 10617 O4* C B 550 -904.581 -88.132 89.196 1.00857.56 O ATOM 10618 C3* C B 550 -906.922 -87.853 89.171 1.00857.56 C ATOM 10619 O3* C B 550 -908.068 -88.254 89.910 1.00857.56 O ATOM 10620 C2* C B 550 -906.304 -86.578 89.729 1.00857.56 C ATOM 10621 O2* C B 550 -906.423 -86.483 91.134 1.00857.56 O ATOM 10622 C1* C B 550 -904.831 -86.742 89.350 1.00857.56 C ATOM 10623 N1 C B 550 -904.501 -86.057 88.091 1.00857.56 N ATOM 10624 C2 C B 550 -904.312 -84.669 88.113 1.00857.56 C ATOM 10625 O2 C B 550 -904.407 -84.068 89.193 1.00857.56 O ATOM 10626 N3 C B 550 -904.030 -84.022 86.961 1.00857.56 N ATOM 10627 C4 C B 550 -903.931 -84.705 85.819 1.00857.56 C ATOM 10628 N4 C B 550 -903.661 -84.020 84.705 1.00857.56 N ATOM 10629 C5 C B 550 -904.111 -86.119 85.769 1.00857.56 C ATOM 10630 C6 C B 550 -904.390 -86.749 86.918 1.00857.56 C ATOM 10631 P A B 551 -909.532 -87.862 89.377 1.00857.56 P ATOM 10632 O1P A B 551 -910.518 -88.663 90.146 1.00857.56 O ATOM 10633 O2P A B 551 -909.521 -87.945 87.893 1.00857.56 O ATOM 10634 O5* A B 551 -909.701 -86.333 89.789 1.00857.56 O ATOM 10635 C5* A B 551 -909.460 -85.908 91.127 1.00857.56 C ATOM 10636 C4* A B 551 -909.091 -84.444 91.159 1.00857.56 C ATOM 10637 O4* A B 551 -908.070 -84.187 90.163 1.00857.56 O ATOM 10638 C3* A B 551 -910.231 -83.468 90.831 1.00857.56 C ATOM 10639 O3* A B 551 -911.002 -83.094 91.967 1.00857.56 O ATOM 10640 C2* A B 551 -909.496 -82.284 90.222 1.00857.56 C ATOM 10641 O2* A B 551 -908.953 -81.415 91.194 1.00857.56 O ATOM 10642 C1* A B 551 -908.364 -82.987 89.470 1.00857.56 C ATOM 10643 N9 A B 551 -908.790 -83.341 88.116 1.00857.56 N ATOM 10644 C8 A B 551 -908.759 -84.572 87.514 1.00857.56 C ATOM 10645 N7 A B 551 -909.253 -84.581 86.305 1.00857.56 N ATOM 10646 C5 A B 551 -909.626 -83.262 86.086 1.00857.56 C ATOM 10647 C6 A B 551 -910.221 -82.619 84.995 1.00857.56 C ATOM 10648 N6 A B 551 -910.562 -83.244 83.867 1.00857.56 N ATOM 10649 N1 A B 551 -910.462 -81.296 85.102 1.00857.56 N ATOM 10650 C2 A B 551 -910.131 -80.672 86.237 1.00857.56 C ATOM 10651 N3 A B 551 -909.568 -81.168 87.336 1.00857.56 N ATOM 10652 C4 A B 551 -909.339 -82.486 87.192 1.00857.56 C ATOM 10653 P C B 552 -912.553 -82.714 91.778 1.00857.56 P ATOM 10654 O1P C B 552 -912.997 -82.011 93.009 1.00857.56 O ATOM 10655 O2P C B 552 -913.273 -83.934 91.330 1.00857.56 O ATOM 10656 O5* C B 552 -912.558 -81.671 90.575 1.00857.56 O ATOM 10657 C5* C B 552 -912.241 -80.297 90.791 1.00857.56 C ATOM 10658 C4* C B 552 -912.789 -79.443 89.669 1.00857.56 C ATOM 10659 O4* C B 552 -912.184 -79.847 88.416 1.00857.56 O ATOM 10660 C3* C B 552 -914.283 -79.467 89.357 1.00857.56 C ATOM 10661 O3* C B 552 -915.078 -78.688 90.244 1.00857.56 O ATOM 10662 C2* C B 552 -914.330 -78.933 87.931 1.00857.56 C ATOM 10663 O2* C B 552 -914.271 -77.522 87.876 1.00857.56 O ATOM 10664 C1* C B 552 -913.044 -79.520 87.337 1.00857.56 C ATOM 10665 N1 C B 552 -913.304 -80.744 86.565 1.00857.56 N ATOM 10666 C2 C B 552 -913.756 -80.634 85.242 1.00857.56 C ATOM 10667 O2 C B 552 -913.904 -79.507 84.746 1.00857.56 O ATOM 10668 N3 C B 552 -914.019 -81.760 84.542 1.00857.56 N ATOM 10669 C4 C B 552 -913.846 -82.956 85.109 1.00857.56 C ATOM 10670 N4 C B 552 -914.123 -84.042 84.380 1.00857.56 N ATOM 10671 C5 C B 552 -913.380 -83.095 86.446 1.00857.56 C ATOM 10672 C6 C B 552 -913.122 -81.975 87.131 1.00857.56 C ATOM 10673 P C B 553 -916.670 -78.909 90.281 1.00857.56 P ATOM 10674 O1P C B 553 -917.308 -77.591 90.033 1.00857.56 O ATOM 10675 O2P C B 553 -917.004 -79.665 91.513 1.00857.56 O ATOM 10676 O5* C B 553 -916.959 -79.845 89.025 1.00857.56 O ATOM 10677 C5* C B 553 -917.867 -79.441 88.003 1.00857.56 C ATOM 10678 C4* C B 553 -917.154 -79.358 86.676 1.00857.56 C ATOM 10679 O4* C B 553 -917.296 -80.613 85.959 1.00857.56 O ATOM 10680 C3* C B 553 -917.700 -78.395 85.641 1.00857.56 C ATOM 10681 O3* C B 553 -917.169 -77.114 85.950 1.00857.56 O ATOM 10682 C2* C B 553 -917.244 -78.921 84.283 1.00857.56 C ATOM 10683 O2* C B 553 -916.021 -78.353 83.856 1.00857.56 O ATOM 10684 C1* C B 553 -917.047 -80.410 84.581 1.00857.56 C ATOM 10685 N1 C B 553 -917.967 -81.263 83.812 1.00857.56 N ATOM 10686 C2 C B 553 -917.456 -82.373 83.131 1.00857.56 C ATOM 10687 O2 C B 553 -916.245 -82.619 83.211 1.00857.56 O ATOM 10688 N3 C B 553 -918.295 -83.149 82.408 1.00857.56 N ATOM 10689 C4 C B 553 -919.595 -82.854 82.348 1.00857.56 C ATOM 10690 N4 C B 553 -920.387 -83.639 81.614 1.00857.56 N ATOM 10691 C5 C B 553 -920.145 -81.732 83.038 1.00857.56 C ATOM 10692 C6 C B 553 -919.303 -80.974 83.753 1.00857.56 C ATOM 10693 P U B 554 -917.921 -76.195 87.034 1.00857.56 P ATOM 10694 O1P U B 554 -916.927 -75.848 88.081 1.00857.56 O ATOM 10695 O2P U B 554 -919.182 -76.873 87.419 1.00857.56 O ATOM 10696 O5* U B 554 -918.286 -74.866 86.239 1.00857.56 O ATOM 10697 C5* U B 554 -917.800 -73.598 86.673 1.00857.56 C ATOM 10698 C4* U B 554 -918.919 -72.587 86.658 1.00857.56 C ATOM 10699 O4* U B 554 -918.413 -71.277 87.015 1.00857.56 O ATOM 10700 C3* U B 554 -919.571 -72.327 85.313 1.00857.56 C ATOM 10701 O3* U B 554 -920.533 -73.333 85.011 1.00857.56 O ATOM 10702 C2* U B 554 -920.207 -70.953 85.476 1.00857.56 C ATOM 10703 O2* U B 554 -921.497 -71.015 86.049 1.00857.56 O ATOM 10704 C1* U B 554 -919.249 -70.276 86.460 1.00857.56 C ATOM 10705 N1 U B 554 -918.397 -69.251 85.838 1.00857.56 N ATOM 10706 C2 U B 554 -918.203 -68.070 86.530 1.00857.56 C ATOM 10707 O2 U B 554 -918.703 -67.855 87.623 1.00857.56 O ATOM 10708 N3 U B 554 -917.399 -67.155 85.902 1.00857.56 N ATOM 10709 C4 U B 554 -916.785 -67.294 84.674 1.00857.56 C ATOM 10710 O4 U B 554 -916.085 -66.377 84.240 1.00857.56 O ATOM 10711 C5 U B 554 -917.034 -68.539 84.017 1.00857.56 C ATOM 10712 C6 U B 554 -917.814 -69.453 84.607 1.00857.56 C ATOM 10713 P U B 555 -920.179 -74.479 83.944 1.00857.56 P ATOM 10714 O1P U B 555 -920.132 -75.771 84.677 1.00857.56 O ATOM 10715 O2P U B 555 -918.996 -74.041 83.156 1.00857.56 O ATOM 10716 O5* U B 555 -921.446 -74.499 82.979 1.00857.56 O ATOM 10717 C5* U B 555 -921.577 -75.500 81.975 1.00857.56 C ATOM 10718 C4* U B 555 -922.713 -75.152 81.043 1.00857.56 C ATOM 10719 O4* U B 555 -922.469 -73.844 80.459 1.00857.56 O ATOM 10720 C3* U B 555 -922.909 -76.061 79.846 1.00857.56 C ATOM 10721 O3* U B 555 -923.678 -77.209 80.176 1.00857.56 O ATOM 10722 C2* U B 555 -923.635 -75.163 78.852 1.00857.56 C ATOM 10723 O2* U B 555 -925.026 -75.105 79.087 1.00857.56 O ATOM 10724 C1* U B 555 -923.009 -73.800 79.148 1.00857.56 C ATOM 10725 N1 U B 555 -921.918 -73.467 78.218 1.00857.56 N ATOM 10726 C2 U B 555 -922.138 -72.439 77.316 1.00857.56 C ATOM 10727 O2 U B 555 -923.174 -71.805 77.274 1.00857.56 O ATOM 10728 N3 U B 555 -921.088 -72.188 76.465 1.00857.56 N ATOM 10729 C4 U B 555 -919.874 -72.840 76.426 1.00857.56 C ATOM 10730 O4 U B 555 -919.033 -72.503 75.592 1.00857.56 O ATOM 10731 C5 U B 555 -919.726 -73.884 77.393 1.00857.56 C ATOM 10732 C6 U B 555 -920.731 -74.153 78.235 1.00857.56 C ATOM 10733 P A B 556 -924.279 -78.126 79.002 1.00857.56 P ATOM 10734 O1P A B 556 -923.428 -77.930 77.803 1.00857.56 O ATOM 10735 O2P A B 556 -925.738 -77.864 78.918 1.00857.56 O ATOM 10736 O5* A B 556 -924.070 -79.619 79.520 1.00857.56 O ATOM 10737 C5* A B 556 -924.671 -80.716 78.840 1.00857.56 C ATOM 10738 C4* A B 556 -924.121 -82.022 79.365 1.00857.56 C ATOM 10739 O4* A B 556 -924.893 -83.127 78.828 1.00857.56 O ATOM 10740 C3* A B 556 -922.691 -82.340 78.995 1.00857.56 C ATOM 10741 O3* A B 556 -921.765 -81.715 79.874 1.00857.56 O ATOM 10742 C2* A B 556 -922.647 -83.858 79.087 1.00857.56 C ATOM 10743 O2* A B 556 -922.455 -84.323 80.407 1.00857.56 O ATOM 10744 C1* A B 556 -924.043 -84.235 78.591 1.00857.56 C ATOM 10745 N9 A B 556 -924.032 -84.503 77.153 1.00857.56 N ATOM 10746 C8 A B 556 -924.678 -83.797 76.171 1.00857.56 C ATOM 10747 N7 A B 556 -924.456 -84.248 74.962 1.00857.56 N ATOM 10748 C5 A B 556 -923.615 -85.335 75.161 1.00857.56 C ATOM 10749 C6 A B 556 -923.013 -86.241 74.274 1.00857.56 C ATOM 10750 N6 A B 556 -923.170 -86.194 72.949 1.00857.56 N ATOM 10751 N1 A B 556 -922.232 -87.210 74.797 1.00857.56 N ATOM 10752 C2 A B 556 -922.071 -87.254 76.127 1.00857.56 C ATOM 10753 N3 A B 556 -922.580 -86.459 77.062 1.00857.56 N ATOM 10754 C4 A B 556 -923.350 -85.507 76.511 1.00857.56 C ATOM 10755 P U B 557 -920.291 -81.346 79.340 1.00857.56 P ATOM 10756 O1P U B 557 -919.539 -82.623 79.205 1.00857.56 O ATOM 10757 O2P U B 557 -919.745 -80.261 80.195 1.00857.56 O ATOM 10758 O5* U B 557 -920.533 -80.761 77.875 1.00857.56 O ATOM 10759 C5* U B 557 -919.902 -81.351 76.739 1.00857.56 C ATOM 10760 C4* U B 557 -920.928 -81.798 75.719 1.00857.56 C ATOM 10761 O4* U B 557 -921.890 -80.742 75.453 1.00857.56 O ATOM 10762 C3* U B 557 -920.374 -82.184 74.370 1.00857.56 C ATOM 10763 O3* U B 557 -919.934 -83.537 74.364 1.00857.56 O ATOM 10764 C2* U B 557 -921.578 -82.004 73.447 1.00857.56 C ATOM 10765 O2* U B 557 -922.423 -83.138 73.432 1.00857.56 O ATOM 10766 C1* U B 557 -922.317 -80.837 74.105 1.00857.56 C ATOM 10767 N1 U B 557 -922.095 -79.551 73.430 1.00857.56 N ATOM 10768 C2 U B 557 -923.110 -79.082 72.615 1.00857.56 C ATOM 10769 O2 U B 557 -924.160 -79.682 72.455 1.00857.56 O ATOM 10770 N3 U B 557 -922.851 -77.886 71.995 1.00857.56 N ATOM 10771 C4 U B 557 -921.709 -77.123 72.103 1.00857.56 C ATOM 10772 O4 U B 557 -921.618 -76.074 71.468 1.00857.56 O ATOM 10773 C5 U B 557 -920.705 -77.671 72.971 1.00857.56 C ATOM 10774 C6 U B 557 -920.928 -78.838 73.587 1.00857.56 C ATOM 10775 P G B 558 -919.136 -84.104 73.090 1.00857.56 P ATOM 10776 O1P G B 558 -918.289 -82.999 72.575 1.00857.56 O ATOM 10777 O2P G B 558 -920.113 -84.760 72.185 1.00857.56 O ATOM 10778 O5* G B 558 -918.176 -85.221 73.697 1.00857.56 O ATOM 10779 C5* G B 558 -917.354 -84.931 74.821 1.00857.56 C ATOM 10780 C4* G B 558 -916.191 -85.893 74.894 1.00857.56 C ATOM 10781 O4* G B 558 -916.672 -87.259 74.907 1.00857.56 O ATOM 10782 C3* G B 558 -915.172 -85.849 73.766 1.00857.56 C ATOM 10783 O3* G B 558 -914.207 -84.820 73.973 1.00857.56 O ATOM 10784 C2* G B 558 -914.540 -87.236 73.839 1.00857.56 C ATOM 10785 O2* G B 558 -913.517 -87.317 74.810 1.00857.56 O ATOM 10786 C1* G B 558 -915.724 -88.102 74.275 1.00857.56 C ATOM 10787 N9 G B 558 -916.369 -88.778 73.152 1.00857.56 N ATOM 10788 C8 G B 558 -915.815 -89.098 71.935 1.00857.56 C ATOM 10789 N7 G B 558 -916.651 -89.704 71.140 1.00857.56 N ATOM 10790 C5 G B 558 -917.827 -89.788 71.873 1.00857.56 C ATOM 10791 C6 G B 558 -919.090 -90.346 71.532 1.00857.56 C ATOM 10792 O6 G B 558 -919.432 -90.892 70.480 1.00857.56 O ATOM 10793 N1 G B 558 -920.002 -90.213 72.575 1.00857.56 N ATOM 10794 C2 G B 558 -919.737 -89.626 73.787 1.00857.56 C ATOM 10795 N2 G B 558 -920.750 -89.594 74.666 1.00857.56 N ATOM 10796 N3 G B 558 -918.570 -89.104 74.115 1.00857.56 N ATOM 10797 C4 G B 558 -917.666 -89.221 73.116 1.00857.56 C ATOM 10798 P C B 559 -913.230 -84.392 72.769 1.00857.56 P ATOM 10799 O1P C B 559 -914.075 -84.202 71.560 1.00857.56 O ATOM 10800 O2P C B 559 -912.095 -85.348 72.723 1.00857.56 O ATOM 10801 O5* C B 559 -912.667 -82.968 73.202 1.00857.56 O ATOM 10802 C5* C B 559 -912.818 -81.839 72.348 1.00857.56 C ATOM 10803 C4* C B 559 -913.678 -80.788 73.010 1.00857.56 C ATOM 10804 O4* C B 559 -914.797 -81.445 73.667 1.00857.56 O ATOM 10805 C3* C B 559 -913.056 -79.988 74.116 1.00857.56 C ATOM 10806 O3* C B 559 -912.406 -78.919 73.449 1.00857.56 O ATOM 10807 C2* C B 559 -914.260 -79.504 74.913 1.00857.56 C ATOM 10808 O2* C B 559 -914.867 -78.357 74.346 1.00857.56 O ATOM 10809 C1* C B 559 -915.190 -80.706 74.812 1.00857.56 C ATOM 10810 N1 C B 559 -914.992 -81.546 76.001 1.00857.56 N ATOM 10811 C2 C B 559 -915.777 -81.318 77.133 1.00857.56 C ATOM 10812 O2 C B 559 -916.662 -80.453 77.082 1.00857.56 O ATOM 10813 N3 C B 559 -915.551 -82.042 78.254 1.00857.56 N ATOM 10814 C4 C B 559 -914.587 -82.965 78.266 1.00857.56 C ATOM 10815 N4 C B 559 -914.383 -83.641 79.400 1.00857.56 N ATOM 10816 C5 C B 559 -913.789 -83.237 77.119 1.00857.56 C ATOM 10817 C6 C B 559 -914.028 -82.517 76.018 1.00857.56 C ATOM 10818 P G B 560 -911.736 -77.750 74.326 1.00857.56 P ATOM 10819 O1P G B 560 -912.816 -76.883 74.856 1.00857.56 O ATOM 10820 O2P G B 560 -910.634 -77.151 73.526 1.00857.56 O ATOM 10821 O5* G B 560 -911.082 -78.549 75.542 1.00857.56 O ATOM 10822 C5* G B 560 -910.031 -77.990 76.317 1.00857.56 C ATOM 10823 C4* G B 560 -910.605 -77.235 77.493 1.00857.56 C ATOM 10824 O4* G B 560 -911.745 -77.944 78.030 1.00857.56 O ATOM 10825 C3* G B 560 -909.668 -77.009 78.657 1.00857.56 C ATOM 10826 O3* G B 560 -908.927 -75.809 78.432 1.00857.56 O ATOM 10827 C2* G B 560 -910.604 -76.914 79.858 1.00857.56 C ATOM 10828 O2* G B 560 -911.116 -75.609 80.045 1.00857.56 O ATOM 10829 C1* G B 560 -911.748 -77.848 79.447 1.00857.56 C ATOM 10830 N9 G B 560 -911.673 -79.205 79.982 1.00857.56 N ATOM 10831 C8 G B 560 -910.577 -80.032 79.937 1.00857.56 C ATOM 10832 N7 G B 560 -910.796 -81.204 80.465 1.00857.56 N ATOM 10833 C5 G B 560 -912.112 -81.149 80.899 1.00857.56 C ATOM 10834 C6 G B 560 -912.905 -82.129 81.550 1.00857.56 C ATOM 10835 O6 G B 560 -912.589 -83.276 81.887 1.00857.56 O ATOM 10836 N1 G B 560 -914.185 -81.658 81.814 1.00857.56 N ATOM 10837 C2 G B 560 -914.650 -80.409 81.490 1.00857.56 C ATOM 10838 N2 G B 560 -915.921 -80.151 81.837 1.00857.56 N ATOM 10839 N3 G B 560 -913.922 -79.482 80.877 1.00857.56 N ATOM 10840 C4 G B 560 -912.671 -79.918 80.614 1.00857.56 C ATOM 10841 P U B 561 -907.709 -75.435 79.404 1.00857.56 P ATOM 10842 O1P U B 561 -906.651 -74.803 78.579 1.00857.56 O ATOM 10843 O2P U B 561 -907.381 -76.620 80.237 1.00857.56 O ATOM 10844 O5* U B 561 -908.336 -74.316 80.338 1.00857.56 O ATOM 10845 C5* U B 561 -907.752 -73.983 81.588 1.00857.56 C ATOM 10846 C4* U B 561 -908.811 -73.963 82.653 1.00857.56 C ATOM 10847 O4* U B 561 -909.814 -74.959 82.341 1.00857.56 O ATOM 10848 C3* U B 561 -908.312 -74.290 84.050 1.00857.56 C ATOM 10849 O3* U B 561 -907.884 -73.114 84.729 1.00857.56 O ATOM 10850 C2* U B 561 -909.515 -74.951 84.709 1.00857.56 C ATOM 10851 O2* U B 561 -910.421 -74.008 85.252 1.00857.56 O ATOM 10852 C1* U B 561 -910.180 -75.653 83.519 1.00857.56 C ATOM 10853 N1 U B 561 -909.784 -77.055 83.322 1.00857.56 N ATOM 10854 C2 U B 561 -910.741 -78.041 83.459 1.00857.56 C ATOM 10855 O2 U B 561 -911.897 -77.802 83.769 1.00857.56 O ATOM 10856 N3 U B 561 -910.291 -79.315 83.219 1.00857.56 N ATOM 10857 C4 U B 561 -909.009 -79.694 82.868 1.00857.56 C ATOM 10858 O4 U B 561 -908.763 -80.875 82.639 1.00857.56 O ATOM 10859 C5 U B 561 -908.080 -78.616 82.768 1.00857.56 C ATOM 10860 C6 U B 561 -908.486 -77.370 82.991 1.00857.56 C ATOM 10861 P G B 562 -906.318 -72.859 84.965 1.00857.56 P ATOM 10862 O1P G B 562 -906.175 -71.453 85.426 1.00857.56 O ATOM 10863 O2P G B 562 -905.577 -73.315 83.764 1.00857.56 O ATOM 10864 O5* G B 562 -905.965 -73.819 86.181 1.00857.56 O ATOM 10865 C5* G B 562 -905.525 -73.274 87.418 1.00857.56 C ATOM 10866 C4* G B 562 -905.059 -74.364 88.351 1.00857.56 C ATOM 10867 O4* G B 562 -906.027 -75.448 88.396 1.00857.56 O ATOM 10868 C3* G B 562 -903.737 -75.060 88.033 1.00857.56 C ATOM 10869 O3* G B 562 -902.571 -74.337 88.393 1.00857.56 O ATOM 10870 C2* G B 562 -903.868 -76.350 88.833 1.00857.56 C ATOM 10871 O2* G B 562 -903.570 -76.177 90.201 1.00857.56 O ATOM 10872 C1* G B 562 -905.353 -76.670 88.661 1.00857.56 C ATOM 10873 N9 G B 562 -905.519 -77.573 87.529 1.00857.56 N ATOM 10874 C8 G B 562 -906.226 -77.359 86.370 1.00857.56 C ATOM 10875 N7 G B 562 -906.117 -78.341 85.516 1.00857.56 N ATOM 10876 C5 G B 562 -905.303 -79.265 86.157 1.00857.56 C ATOM 10877 C6 G B 562 -904.818 -80.532 85.721 1.00857.56 C ATOM 10878 O6 G B 562 -905.010 -81.102 84.642 1.00857.56 O ATOM 10879 N1 G B 562 -904.030 -81.137 86.694 1.00857.56 N ATOM 10880 C2 G B 562 -903.736 -80.600 87.921 1.00857.56 C ATOM 10881 N2 G B 562 -902.960 -81.343 88.724 1.00857.56 N ATOM 10882 N3 G B 562 -904.167 -79.421 88.332 1.00857.56 N ATOM 10883 C4 G B 562 -904.941 -78.814 87.406 1.00857.56 C ATOM 10884 P U B 563 -901.168 -74.735 87.718 1.00857.56 P ATOM 10885 O1P U B 563 -900.094 -73.957 88.379 1.00857.56 O ATOM 10886 O2P U B 563 -901.331 -74.651 86.245 1.00857.56 O ATOM 10887 O5* U B 563 -900.984 -76.273 88.104 1.00857.56 O ATOM 10888 C5* U B 563 -899.817 -76.990 87.710 1.00857.56 C ATOM 10889 C4* U B 563 -900.122 -78.464 87.578 1.00857.56 C ATOM 10890 O4* U B 563 -901.189 -78.650 86.611 1.00857.56 O ATOM 10891 C3* U B 563 -899.003 -79.312 87.035 1.00857.56 C ATOM 10892 O3* U B 563 -898.108 -79.677 88.076 1.00857.56 O ATOM 10893 C2* U B 563 -899.729 -80.520 86.462 1.00857.56 C ATOM 10894 O2* U B 563 -900.039 -81.487 87.447 1.00857.56 O ATOM 10895 C1* U B 563 -901.015 -79.885 85.937 1.00857.56 C ATOM 10896 N1 U B 563 -900.908 -79.618 84.494 1.00857.56 N ATOM 10897 C2 U B 563 -901.574 -80.469 83.637 1.00857.56 C ATOM 10898 O2 U B 563 -902.261 -81.393 84.030 1.00857.56 O ATOM 10899 N3 U B 563 -901.401 -80.198 82.299 1.00857.56 N ATOM 10900 C4 U B 563 -900.650 -79.172 81.752 1.00857.56 C ATOM 10901 O4 U B 563 -900.561 -79.073 80.528 1.00857.56 O ATOM 10902 C5 U B 563 -900.006 -78.326 82.710 1.00857.56 C ATOM 10903 C6 U B 563 -900.155 -78.570 84.016 1.00857.56 C ATOM 10904 P U B 564 -896.526 -79.510 87.852 1.00857.56 P ATOM 10905 O1P U B 564 -895.886 -79.459 89.191 1.00857.56 O ATOM 10906 O2P U B 564 -896.312 -78.396 86.892 1.00857.56 O ATOM 10907 O5* U B 564 -896.093 -80.870 87.144 1.00857.56 O ATOM 10908 C5* U B 564 -895.715 -82.003 87.919 1.00857.56 C ATOM 10909 C4* U B 564 -895.620 -83.236 87.053 1.00857.56 C ATOM 10910 O4* U B 564 -896.816 -83.364 86.239 1.00857.56 O ATOM 10911 C3* U B 564 -894.457 -83.303 86.064 1.00857.56 C ATOM 10912 O3* U B 564 -893.263 -83.790 86.667 1.00857.56 O ATOM 10913 C2* U B 564 -894.986 -84.262 85.004 1.00857.56 C ATOM 10914 O2* U B 564 -894.823 -85.616 85.371 1.00857.56 O ATOM 10915 C1* U B 564 -896.475 -83.913 84.978 1.00857.56 C ATOM 10916 N1 U B 564 -896.805 -82.938 83.929 1.00857.56 N ATOM 10917 C2 U B 564 -896.527 -83.290 82.622 1.00857.56 C ATOM 10918 O2 U B 564 -896.056 -84.368 82.319 1.00857.56 O ATOM 10919 N3 U B 564 -896.829 -82.331 81.688 1.00857.56 N ATOM 10920 C4 U B 564 -897.367 -81.085 81.921 1.00857.56 C ATOM 10921 O4 U B 564 -897.556 -80.319 80.971 1.00857.56 O ATOM 10922 C5 U B 564 -897.641 -80.800 83.299 1.00857.56 C ATOM 10923 C6 U B 564 -897.357 -81.715 84.232 1.00857.56 C ATOM 10924 P A B 565 -891.984 -84.114 85.746 1.00857.56 P ATOM 10925 O1P A B 565 -890.767 -83.928 86.576 1.00857.56 O ATOM 10926 O2P A B 565 -892.128 -83.354 84.475 1.00857.56 O ATOM 10927 O5* A B 565 -892.129 -85.665 85.412 1.00857.56 O ATOM 10928 C5* A B 565 -891.887 -86.658 86.409 1.00857.56 C ATOM 10929 C4* A B 565 -891.822 -88.023 85.769 1.00857.56 C ATOM 10930 O4* A B 565 -893.117 -88.344 85.206 1.00857.56 O ATOM 10931 C3* A B 565 -890.844 -88.126 84.592 1.00857.56 C ATOM 10932 O3* A B 565 -889.491 -88.391 84.951 1.00857.56 O ATOM 10933 C2* A B 565 -891.456 -89.242 83.753 1.00857.56 C ATOM 10934 O2* A B 565 -891.115 -90.526 84.231 1.00857.56 O ATOM 10935 C1* A B 565 -892.952 -88.996 83.960 1.00857.56 C ATOM 10936 N9 A B 565 -893.543 -88.137 82.939 1.00857.56 N ATOM 10937 C8 A B 565 -893.609 -86.765 82.960 1.00857.56 C ATOM 10938 N7 A B 565 -894.215 -86.246 81.920 1.00857.56 N ATOM 10939 C5 A B 565 -894.568 -87.352 81.160 1.00857.56 C ATOM 10940 C6 A B 565 -895.237 -87.471 79.930 1.00857.56 C ATOM 10941 N6 A B 565 -895.694 -86.427 79.235 1.00857.56 N ATOM 10942 N1 A B 565 -895.423 -88.715 79.434 1.00857.56 N ATOM 10943 C2 A B 565 -894.965 -89.757 80.140 1.00857.56 C ATOM 10944 N3 A B 565 -894.322 -89.772 81.308 1.00857.56 N ATOM 10945 C4 A B 565 -894.154 -88.520 81.767 1.00857.56 C ATOM 10946 P U B 566 -888.309 -87.531 84.284 1.00857.56 P ATOM 10947 O1P U B 566 -887.029 -88.191 84.648 1.00857.56 O ATOM 10948 O2P U B 566 -888.517 -86.098 84.616 1.00857.56 O ATOM 10949 O5* U B 566 -888.530 -87.722 82.719 1.00857.56 O ATOM 10950 C5* U B 566 -888.532 -89.018 82.138 1.00857.56 C ATOM 10951 C4* U B 566 -889.388 -89.040 80.896 1.00857.56 C ATOM 10952 O4* U B 566 -890.665 -88.405 81.174 1.00857.56 O ATOM 10953 C3* U B 566 -888.858 -88.274 79.711 1.00857.56 C ATOM 10954 O3* U B 566 -887.936 -89.075 78.992 1.00857.56 O ATOM 10955 C2* U B 566 -890.113 -87.986 78.899 1.00857.56 C ATOM 10956 O2* U B 566 -890.490 -89.078 78.087 1.00857.56 O ATOM 10957 C1* U B 566 -891.149 -87.766 80.004 1.00857.56 C ATOM 10958 N1 U B 566 -891.303 -86.331 80.275 1.00857.56 N ATOM 10959 C2 U B 566 -892.143 -85.606 79.459 1.00857.56 C ATOM 10960 O2 U B 566 -892.816 -86.117 78.584 1.00857.56 O ATOM 10961 N3 U B 566 -892.177 -84.259 79.710 1.00857.56 N ATOM 10962 C4 U B 566 -891.486 -83.580 80.693 1.00857.56 C ATOM 10963 O4 U B 566 -891.607 -82.356 80.783 1.00857.56 O ATOM 10964 C5 U B 566 -890.668 -84.404 81.525 1.00857.56 C ATOM 10965 C6 U B 566 -890.607 -85.719 81.294 1.00857.56 C ATOM 10966 P G B 567 -886.691 -88.369 78.262 1.00857.56 P ATOM 10967 O1P G B 567 -885.712 -89.424 77.896 1.00857.56 O ATOM 10968 O2P G B 567 -886.256 -87.224 79.102 1.00857.56 O ATOM 10969 O5* G B 567 -887.319 -87.784 76.919 1.00857.56 O ATOM 10970 C5* G B 567 -887.786 -88.658 75.898 1.00857.56 C ATOM 10971 C4* G B 567 -888.356 -87.870 74.744 1.00857.56 C ATOM 10972 O4* G B 567 -889.420 -86.999 75.211 1.00857.56 O ATOM 10973 C3* G B 567 -887.438 -86.928 73.992 1.00857.56 C ATOM 10974 O3* G B 567 -886.628 -87.633 73.062 1.00857.56 O ATOM 10975 C2* G B 567 -888.417 -85.982 73.308 1.00857.56 C ATOM 10976 O2* G B 567 -888.945 -86.516 72.110 1.00857.56 O ATOM 10977 C1* G B 567 -889.529 -85.874 74.356 1.00857.56 C ATOM 10978 N9 G B 567 -889.389 -84.668 75.164 1.00857.56 N ATOM 10979 C8 G B 567 -888.885 -84.583 76.439 1.00857.56 C ATOM 10980 N7 G B 567 -888.864 -83.359 76.898 1.00857.56 N ATOM 10981 C5 G B 567 -889.389 -82.592 75.868 1.00857.56 C ATOM 10982 C6 G B 567 -889.612 -81.195 75.782 1.00857.56 C ATOM 10983 O6 G B 567 -889.380 -80.324 76.629 1.00857.56 O ATOM 10984 N1 G B 567 -890.164 -80.841 74.554 1.00857.56 N ATOM 10985 C2 G B 567 -890.461 -81.714 73.541 1.00857.56 C ATOM 10986 N2 G B 567 -890.993 -81.172 72.432 1.00857.56 N ATOM 10987 N3 G B 567 -890.261 -83.020 73.604 1.00857.56 N ATOM 10988 C4 G B 567 -889.724 -83.389 74.790 1.00857.56 C ATOM 10989 P G B 568 -885.300 -86.938 72.485 1.00857.56 P ATOM 10990 O1P G B 568 -884.791 -87.780 71.376 1.00857.56 O ATOM 10991 O2P G B 568 -884.411 -86.609 73.627 1.00857.56 O ATOM 10992 O5* G B 568 -885.838 -85.570 71.866 1.00857.56 O ATOM 10993 C5* G B 568 -886.413 -85.542 70.564 1.00857.56 C ATOM 10994 C4* G B 568 -886.117 -84.228 69.889 1.00857.56 C ATOM 10995 O4* G B 568 -887.192 -83.284 70.125 1.00857.56 O ATOM 10996 C3* G B 568 -884.861 -83.492 70.347 1.00857.56 C ATOM 10997 O3* G B 568 -883.650 -83.995 69.793 1.00857.56 O ATOM 10998 C2* G B 568 -885.152 -82.058 69.930 1.00857.56 C ATOM 10999 O2* G B 568 -884.868 -81.816 68.567 1.00857.56 O ATOM 11000 C1* G B 568 -886.665 -81.969 70.163 1.00857.56 C ATOM 11001 N9 G B 568 -887.008 -81.372 71.451 1.00857.56 N ATOM 11002 C8 G B 568 -886.923 -81.958 72.690 1.00857.56 C ATOM 11003 N7 G B 568 -887.291 -81.160 73.660 1.00857.56 N ATOM 11004 C5 G B 568 -887.637 -79.978 73.020 1.00857.56 C ATOM 11005 C6 G B 568 -888.110 -78.745 73.550 1.00857.56 C ATOM 11006 O6 G B 568 -888.322 -78.440 74.731 1.00857.56 O ATOM 11007 N1 G B 568 -888.337 -77.812 72.544 1.00857.56 N ATOM 11008 C2 G B 568 -888.137 -78.034 71.203 1.00857.56 C ATOM 11009 N2 G B 568 -888.417 -77.014 70.383 1.00857.56 N ATOM 11010 N3 G B 568 -887.695 -79.172 70.699 1.00857.56 N ATOM 11011 C4 G B 568 -887.469 -80.095 71.658 1.00857.56 C ATOM 11012 P C B 569 -883.249 -84.808 70.761 1.00855.43 P ATOM 11013 O1P C B 569 -883.165 -86.274 70.551 1.00855.43 O ATOM 11014 O2P C B 569 -883.499 -84.274 72.126 1.00855.43 O ATOM 11015 O5* C B 569 -881.911 -84.142 70.207 1.00855.43 O ATOM 11016 C5* C B 569 -881.252 -83.113 70.934 1.00855.43 C ATOM 11017 C4* C B 569 -881.859 -81.771 70.600 1.00855.43 C ATOM 11018 O4* C B 569 -883.253 -81.753 71.000 1.00855.43 O ATOM 11019 C3* C B 569 -881.244 -80.569 71.302 1.00855.43 C ATOM 11020 O3* C B 569 -880.092 -80.103 70.611 1.00855.43 O ATOM 11021 C2* C B 569 -882.382 -79.556 71.294 1.00855.43 C ATOM 11022 O2* C B 569 -882.478 -78.853 70.071 1.00855.43 O ATOM 11023 C1* C B 569 -883.608 -80.459 71.457 1.00855.43 C ATOM 11024 N1 C B 569 -884.066 -80.579 72.853 1.00855.43 N ATOM 11025 C2 C B 569 -885.057 -79.707 73.325 1.00855.43 C ATOM 11026 O2 C B 569 -885.518 -78.845 72.564 1.00855.43 O ATOM 11027 N3 C B 569 -885.484 -79.825 74.604 1.00855.43 N ATOM 11028 C4 C B 569 -884.960 -80.758 75.399 1.00855.43 C ATOM 11029 N4 C B 569 -885.409 -80.835 76.653 1.00855.43 N ATOM 11030 C5 C B 569 -883.946 -81.652 74.946 1.00855.43 C ATOM 11031 C6 C B 569 -883.534 -81.529 73.678 1.00855.43 C ATOM 11032 P G B 570 -878.933 -79.354 71.428 1.00855.43 P ATOM 11033 O1P G B 570 -877.842 -79.042 70.471 1.00855.43 O ATOM 11034 O2P G B 570 -878.634 -80.139 72.652 1.00855.43 O ATOM 11035 O5* G B 570 -879.617 -77.984 71.864 1.00855.43 O ATOM 11036 C5* G B 570 -880.087 -77.064 70.888 1.00855.43 C ATOM 11037 C4* G B 570 -881.001 -76.049 71.526 1.00855.43 C ATOM 11038 O4* G B 570 -882.192 -76.686 72.042 1.00855.43 O ATOM 11039 C3* G B 570 -880.391 -75.327 72.713 1.00855.43 C ATOM 11040 O3* G B 570 -879.599 -74.231 72.282 1.00855.43 O ATOM 11041 C2* G B 570 -881.615 -74.899 73.515 1.00855.43 C ATOM 11042 O2* G B 570 -882.169 -73.684 73.055 1.00855.43 O ATOM 11043 C1* G B 570 -882.589 -76.046 73.245 1.00855.43 C ATOM 11044 N9 G B 570 -882.616 -77.043 74.312 1.00855.43 N ATOM 11045 C8 G B 570 -882.128 -78.327 74.268 1.00855.43 C ATOM 11046 N7 G B 570 -882.310 -78.980 75.385 1.00855.43 N ATOM 11047 C5 G B 570 -882.955 -78.071 76.214 1.00855.43 C ATOM 11048 C6 G B 570 -883.411 -78.210 77.549 1.00855.43 C ATOM 11049 O6 G B 570 -883.333 -79.195 78.294 1.00855.43 O ATOM 11050 N1 G B 570 -884.011 -77.042 78.007 1.00855.43 N ATOM 11051 C2 G B 570 -884.152 -75.889 77.277 1.00855.43 C ATOM 11052 N2 G B 570 -884.760 -74.865 77.897 1.00855.43 N ATOM 11053 N3 G B 570 -883.732 -75.748 76.030 1.00855.43 N ATOM 11054 C4 G B 570 -883.148 -76.870 75.566 1.00855.43 C ATOM 11055 P U B 571 -878.160 -73.980 72.953 1.00855.43 P ATOM 11056 O1P U B 571 -877.217 -73.620 71.865 1.00855.43 O ATOM 11057 O2P U B 571 -877.849 -75.130 73.842 1.00855.43 O ATOM 11058 O5* U B 571 -878.388 -72.691 73.858 1.00855.43 O ATOM 11059 C5* U B 571 -879.468 -72.618 74.788 1.00855.43 C ATOM 11060 C4* U B 571 -878.988 -72.000 76.074 1.00855.43 C ATOM 11061 O4* U B 571 -877.923 -72.826 76.588 1.00855.43 O ATOM 11062 C3* U B 571 -878.373 -70.611 75.928 1.00855.43 C ATOM 11063 O3* U B 571 -879.360 -69.592 76.043 1.00855.43 O ATOM 11064 C2* U B 571 -877.374 -70.556 77.077 1.00855.43 C ATOM 11065 O2* U B 571 -877.975 -70.156 78.294 1.00855.43 O ATOM 11066 C1* U B 571 -876.929 -72.017 77.185 1.00855.43 C ATOM 11067 N1 U B 571 -875.650 -72.338 76.533 1.00855.43 N ATOM 11068 C2 U B 571 -874.698 -72.992 77.286 1.00855.43 C ATOM 11069 O2 U B 571 -874.866 -73.269 78.460 1.00855.43 O ATOM 11070 N3 U B 571 -873.549 -73.314 76.611 1.00855.43 N ATOM 11071 C4 U B 571 -873.255 -73.043 75.289 1.00855.43 C ATOM 11072 O4 U B 571 -872.197 -73.448 74.810 1.00855.43 O ATOM 11073 C5 U B 571 -874.283 -72.342 74.584 1.00855.43 C ATOM 11074 C6 U B 571 -875.417 -72.019 75.217 1.00855.43 C ATOM 11075 P G B 572 -879.312 -68.317 75.069 1.00855.43 P ATOM 11076 O1P G B 572 -880.692 -68.093 74.568 1.00855.43 O ATOM 11077 O2P G B 572 -878.204 -68.492 74.103 1.00855.43 O ATOM 11078 O5* G B 572 -878.950 -67.102 76.036 1.00855.43 O ATOM 11079 C5* G B 572 -878.351 -67.302 77.322 1.00855.43 C ATOM 11080 C4* G B 572 -879.385 -67.052 78.388 1.00855.43 C ATOM 11081 O4* G B 572 -879.054 -67.696 79.648 1.00855.43 O ATOM 11082 C3* G B 572 -879.587 -65.582 78.698 1.00855.43 C ATOM 11083 O3* G B 572 -880.520 -65.007 77.799 1.00855.43 O ATOM 11084 C2* G B 572 -880.090 -65.608 80.134 1.00855.43 C ATOM 11085 O2* G B 572 -881.476 -65.876 80.196 1.00855.43 O ATOM 11086 C1* G B 572 -879.323 -66.798 80.718 1.00855.43 C ATOM 11087 N9 G B 572 -878.066 -66.391 81.347 1.00855.43 N ATOM 11088 C8 G B 572 -876.807 -66.871 81.092 1.00855.43 C ATOM 11089 N7 G B 572 -875.884 -66.310 81.824 1.00855.43 N ATOM 11090 C5 G B 572 -876.577 -65.399 82.612 1.00855.43 C ATOM 11091 C6 G B 572 -876.107 -64.493 83.602 1.00855.43 C ATOM 11092 O6 G B 572 -874.953 -64.310 83.999 1.00855.43 O ATOM 11093 N1 G B 572 -877.151 -63.754 84.154 1.00855.43 N ATOM 11094 C2 G B 572 -878.470 -63.869 83.800 1.00855.43 C ATOM 11095 N2 G B 572 -879.322 -63.065 84.451 1.00855.43 N ATOM 11096 N3 G B 572 -878.919 -64.706 82.878 1.00855.43 N ATOM 11097 C4 G B 572 -877.927 -65.434 82.329 1.00855.43 C ATOM 11098 P C B 573 -879.996 -64.000 76.665 1.00855.43 P ATOM 11099 O1P C B 573 -880.917 -64.116 75.504 1.00855.43 O ATOM 11100 O2P C B 573 -878.544 -64.229 76.470 1.00855.43 O ATOM 11101 O5* C B 573 -880.194 -62.561 77.317 1.00855.43 O ATOM 11102 C5* C B 573 -881.499 -62.009 77.437 1.00855.43 C ATOM 11103 C4* C B 573 -881.549 -60.955 78.520 1.00855.43 C ATOM 11104 O4* C B 573 -881.224 -61.516 79.820 1.00855.43 O ATOM 11105 C3* C B 573 -880.594 -59.782 78.322 1.00855.43 C ATOM 11106 O3* C B 573 -881.111 -58.774 77.468 1.00855.43 O ATOM 11107 C2* C B 573 -880.431 -59.269 79.752 1.00855.43 C ATOM 11108 O2* C B 573 -881.505 -58.442 80.152 1.00855.43 O ATOM 11109 C1* C B 573 -880.478 -60.564 80.563 1.00855.43 C ATOM 11110 N1 C B 573 -879.139 -61.092 80.850 1.00855.43 N ATOM 11111 C2 C B 573 -878.425 -60.545 81.924 1.00855.43 C ATOM 11112 O2 C B 573 -878.957 -59.657 82.607 1.00855.43 O ATOM 11113 N3 C B 573 -877.179 -60.997 82.193 1.00855.43 N ATOM 11114 C4 C B 573 -876.639 -61.956 81.435 1.00855.43 C ATOM 11115 N4 C B 573 -875.403 -62.362 81.731 1.00855.43 N ATOM 11116 C5 C B 573 -877.346 -62.537 80.337 1.00855.43 C ATOM 11117 C6 C B 573 -878.580 -62.079 80.087 1.00855.43 C ATOM 11118 P C B 574 -880.096 -57.877 76.607 1.00855.43 P ATOM 11119 O1P C B 574 -880.882 -57.226 75.533 1.00855.43 O ATOM 11120 O2P C B 574 -878.915 -58.700 76.259 1.00855.43 O ATOM 11121 O5* C B 574 -879.632 -56.748 77.625 1.00855.43 O ATOM 11122 C5* C B 574 -880.575 -56.134 78.495 1.00855.43 C ATOM 11123 C4* C B 574 -879.883 -55.577 79.716 1.00855.43 C ATOM 11124 O4* C B 574 -879.205 -56.640 80.433 1.00855.43 O ATOM 11125 C3* C B 574 -878.806 -54.558 79.388 1.00855.43 C ATOM 11126 O3* C B 574 -879.356 -53.253 79.263 1.00855.43 O ATOM 11127 C2* C B 574 -877.862 -54.676 80.579 1.00855.43 C ATOM 11128 O2* C B 574 -878.301 -53.924 81.692 1.00855.43 O ATOM 11129 C1* C B 574 -877.953 -56.166 80.907 1.00855.43 C ATOM 11130 N1 C B 574 -876.880 -56.953 80.281 1.00855.43 N ATOM 11131 C2 C B 574 -875.561 -56.711 80.678 1.00855.43 C ATOM 11132 O2 C B 574 -875.343 -55.859 81.549 1.00855.43 O ATOM 11133 N3 C B 574 -874.558 -57.412 80.101 1.00855.43 N ATOM 11134 C4 C B 574 -874.834 -58.323 79.163 1.00855.43 C ATOM 11135 N4 C B 574 -873.812 -58.987 78.616 1.00855.43 N ATOM 11136 C5 C B 574 -876.171 -58.594 78.748 1.00855.43 C ATOM 11137 C6 C B 574 -877.154 -57.894 79.328 1.00855.43 C ATOM 11138 P U B 575 -879.253 -52.477 77.862 1.00855.43 P ATOM 11139 O1P U B 575 -879.906 -51.156 78.034 1.00855.43 O ATOM 11140 O2P U B 575 -879.721 -53.393 76.789 1.00855.43 O ATOM 11141 O5* U B 575 -877.689 -52.244 77.671 1.00855.43 O ATOM 11142 C5* U B 575 -876.883 -51.814 78.767 1.00855.43 C ATOM 11143 C4* U B 575 -875.504 -52.424 78.675 1.00855.43 C ATOM 11144 O4* U B 575 -875.610 -53.869 78.716 1.00855.43 O ATOM 11145 C3* U B 575 -874.749 -52.105 77.397 1.00855.43 C ATOM 11146 O3* U B 575 -874.014 -50.896 77.560 1.00855.43 O ATOM 11147 C2* U B 575 -873.824 -53.306 77.237 1.00855.43 C ATOM 11148 O2* U B 575 -872.624 -53.168 77.972 1.00855.43 O ATOM 11149 C1* U B 575 -874.657 -54.437 77.840 1.00855.43 C ATOM 11150 N1 U B 575 -875.365 -55.268 76.854 1.00855.43 N ATOM 11151 C2 U B 575 -874.662 -56.307 76.267 1.00855.43 C ATOM 11152 O2 U B 575 -873.493 -56.535 76.520 1.00855.43 O ATOM 11153 N3 U B 575 -875.383 -57.061 75.375 1.00855.43 N ATOM 11154 C4 U B 575 -876.702 -56.887 75.012 1.00855.43 C ATOM 11155 O4 U B 575 -877.211 -57.656 74.198 1.00855.43 O ATOM 11156 C5 U B 575 -877.357 -55.785 75.652 1.00855.43 C ATOM 11157 C6 U B 575 -876.679 -55.034 76.529 1.00855.43 C ATOM 11158 P A B 576 -873.399 -50.155 76.273 1.00855.43 P ATOM 11159 O1P A B 576 -873.996 -48.795 76.229 1.00855.43 O ATOM 11160 O2P A B 576 -873.530 -51.054 75.098 1.00855.43 O ATOM 11161 O5* A B 576 -871.851 -49.998 76.621 1.00855.43 O ATOM 11162 C5* A B 576 -871.166 -48.783 76.352 1.00855.43 C ATOM 11163 C4* A B 576 -869.680 -49.035 76.248 1.00855.43 C ATOM 11164 O4* A B 576 -869.219 -49.729 77.434 1.00855.43 O ATOM 11165 C3* A B 576 -869.250 -49.923 75.099 1.00855.43 C ATOM 11166 O3* A B 576 -869.112 -49.160 73.909 1.00855.43 O ATOM 11167 C2* A B 576 -867.927 -50.495 75.588 1.00855.43 C ATOM 11168 O2* A B 576 -866.840 -49.618 75.370 1.00855.43 O ATOM 11169 C1* A B 576 -868.186 -50.639 77.087 1.00855.43 C ATOM 11170 N9 A B 576 -868.644 -51.987 77.425 1.00855.43 N ATOM 11171 C8 A B 576 -868.331 -53.161 76.785 1.00855.43 C ATOM 11172 N7 A B 576 -868.872 -54.222 77.330 1.00855.43 N ATOM 11173 C5 A B 576 -869.594 -53.714 78.400 1.00855.43 C ATOM 11174 C6 A B 576 -870.394 -54.328 79.378 1.00855.43 C ATOM 11175 N6 A B 576 -870.610 -55.644 79.439 1.00855.43 N ATOM 11176 N1 A B 576 -870.974 -53.536 80.306 1.00855.43 N ATOM 11177 C2 A B 576 -870.757 -52.217 80.243 1.00855.43 C ATOM 11178 N3 A B 576 -870.029 -51.521 79.374 1.00855.43 N ATOM 11179 C4 A B 576 -869.467 -52.336 78.470 1.00855.43 C ATOM 11180 P U B 577 -869.148 -49.906 72.487 1.00855.43 P ATOM 11181 O1P U B 577 -868.339 -49.100 71.538 1.00855.43 O ATOM 11182 O2P U B 577 -870.565 -50.215 72.162 1.00855.43 O ATOM 11183 O5* U B 577 -868.388 -51.277 72.765 1.00855.43 O ATOM 11184 C5* U B 577 -867.939 -52.105 71.697 1.00855.43 C ATOM 11185 C4* U B 577 -867.129 -53.259 72.243 1.00855.43 C ATOM 11186 O4* U B 577 -867.959 -54.028 73.153 1.00855.43 O ATOM 11187 C3* U B 577 -866.632 -54.281 71.242 1.00855.43 C ATOM 11188 O3* U B 577 -865.413 -53.845 70.646 1.00855.43 O ATOM 11189 C2* U B 577 -866.437 -55.524 72.100 1.00855.43 C ATOM 11190 O2* U B 577 -865.208 -55.515 72.802 1.00855.43 O ATOM 11191 C1* U B 577 -867.592 -55.397 73.094 1.00855.43 C ATOM 11192 N1 U B 577 -868.767 -56.170 72.661 1.00855.43 N ATOM 11193 C2 U B 577 -868.823 -57.504 73.019 1.00855.43 C ATOM 11194 O2 U B 577 -867.963 -58.044 73.694 1.00855.43 O ATOM 11195 N3 U B 577 -869.924 -58.184 72.558 1.00855.43 N ATOM 11196 C4 U B 577 -870.954 -57.675 71.795 1.00855.43 C ATOM 11197 O4 U B 577 -871.862 -58.421 71.432 1.00855.43 O ATOM 11198 C5 U B 577 -870.832 -56.284 71.477 1.00855.43 C ATOM 11199 C6 U B 577 -869.769 -55.598 71.910 1.00855.43 C ATOM 11200 P U B 578 -864.706 -54.765 69.532 1.00855.43 P ATOM 11201 O1P U B 578 -864.094 -55.931 70.208 1.00855.43 O ATOM 11202 O2P U B 578 -863.860 -53.884 68.687 1.00855.43 O ATOM 11203 O5* U B 578 -865.900 -55.310 68.629 1.00855.43 O ATOM 11204 C5* U B 578 -866.435 -54.501 67.586 1.00855.43 C ATOM 11205 C4* U B 578 -866.590 -55.299 66.311 1.00855.43 C ATOM 11206 O4* U B 578 -865.301 -55.590 65.720 1.00855.43 O ATOM 11207 C3* U B 578 -867.282 -56.650 66.462 1.00855.43 C ATOM 11208 O3* U B 578 -868.700 -56.544 66.481 1.00855.43 O ATOM 11209 C2* U B 578 -866.778 -57.406 65.233 1.00855.43 C ATOM 11210 O2* U B 578 -867.536 -57.120 64.074 1.00855.43 O ATOM 11211 C1* U B 578 -865.367 -56.841 65.059 1.00855.43 C ATOM 11212 N1 U B 578 -864.290 -57.707 65.559 1.00855.43 N ATOM 11213 C2 U B 578 -863.929 -58.787 64.774 1.00855.43 C ATOM 11214 O2 U B 578 -864.470 -59.044 63.712 1.00855.43 O ATOM 11215 N3 U B 578 -862.914 -59.559 65.278 1.00855.43 N ATOM 11216 C4 U B 578 -862.234 -59.366 66.464 1.00855.43 C ATOM 11217 O4 U B 578 -861.332 -60.144 66.777 1.00855.43 O ATOM 11218 C5 U B 578 -862.668 -58.233 67.222 1.00855.43 C ATOM 11219 C6 U B 578 -863.656 -57.460 66.755 1.00855.43 C ATOM 11220 P G B 579 -869.512 -57.003 67.785 1.00855.43 P ATOM 11221 O1P G B 579 -870.950 -56.711 67.556 1.00855.43 O ATOM 11222 O2P G B 579 -868.827 -56.424 68.965 1.00855.43 O ATOM 11223 O5* G B 579 -869.316 -58.583 67.814 1.00855.43 O ATOM 11224 C5* G B 579 -869.220 -59.321 66.599 1.00855.43 C ATOM 11225 C4* G B 579 -868.120 -60.349 66.697 1.00855.43 C ATOM 11226 O4* G B 579 -866.867 -59.707 67.036 1.00855.43 O ATOM 11227 C3* G B 579 -868.337 -61.416 67.770 1.00855.43 C ATOM 11228 O3* G B 579 -869.125 -62.495 67.274 1.00855.43 O ATOM 11229 C2* G B 579 -866.910 -61.847 68.103 1.00855.43 C ATOM 11230 O2* G B 579 -866.416 -62.827 67.211 1.00855.43 O ATOM 11231 C1* G B 579 -866.126 -60.545 67.899 1.00855.43 C ATOM 11232 N9 G B 579 -865.827 -59.806 69.125 1.00855.43 N ATOM 11233 C8 G B 579 -866.671 -58.981 69.829 1.00855.43 C ATOM 11234 N7 G B 579 -866.110 -58.456 70.884 1.00855.43 N ATOM 11235 C5 G B 579 -864.817 -58.966 70.878 1.00855.43 C ATOM 11236 C6 G B 579 -863.737 -58.754 71.773 1.00855.43 C ATOM 11237 O6 G B 579 -863.706 -58.049 72.792 1.00855.43 O ATOM 11238 N1 G B 579 -862.608 -59.463 71.389 1.00855.43 N ATOM 11239 C2 G B 579 -862.522 -60.277 70.285 1.00855.43 C ATOM 11240 N2 G B 579 -861.339 -60.878 70.082 1.00855.43 N ATOM 11241 N3 G B 579 -863.518 -60.482 69.441 1.00855.43 N ATOM 11242 C4 G B 579 -864.629 -59.799 69.795 1.00855.43 C ATOM 11243 P A B 580 -870.542 -62.831 67.948 1.00855.43 P ATOM 11244 O1P A B 580 -871.306 -63.642 66.962 1.00855.43 O ATOM 11245 O2P A B 580 -871.131 -61.575 68.474 1.00855.43 O ATOM 11246 O5* A B 580 -870.167 -63.774 69.177 1.00855.43 O ATOM 11247 C5* A B 580 -869.719 -65.104 68.953 1.00855.43 C ATOM 11248 C4* A B 580 -869.842 -65.927 70.215 1.00855.43 C ATOM 11249 O4* A B 580 -868.902 -65.451 71.213 1.00855.43 O ATOM 11250 C3* A B 580 -871.190 -65.867 70.897 1.00855.43 C ATOM 11251 O3* A B 580 -872.110 -66.792 70.331 1.00855.43 O ATOM 11252 C2* A B 580 -870.854 -66.214 72.346 1.00855.43 C ATOM 11253 O2* A B 580 -870.763 -67.612 72.557 1.00855.43 O ATOM 11254 C1* A B 580 -869.472 -65.587 72.506 1.00855.43 C ATOM 11255 N9 A B 580 -869.531 -64.268 73.136 1.00855.43 N ATOM 11256 C8 A B 580 -870.485 -63.291 72.973 1.00855.43 C ATOM 11257 N7 A B 580 -870.268 -62.217 73.695 1.00855.43 N ATOM 11258 C5 A B 580 -869.093 -62.505 74.376 1.00855.43 C ATOM 11259 C6 A B 580 -868.331 -61.769 75.303 1.00855.43 C ATOM 11260 N6 A B 580 -868.656 -60.544 75.723 1.00855.43 N ATOM 11261 N1 A B 580 -867.212 -62.345 75.791 1.00855.43 N ATOM 11262 C2 A B 580 -866.887 -63.572 75.370 1.00855.43 C ATOM 11263 N3 A B 580 -867.519 -64.361 74.505 1.00855.43 N ATOM 11264 C4 A B 580 -868.629 -63.764 74.039 1.00855.43 C ATOM 11265 P A B 581 -873.686 -66.491 70.416 1.00855.43 P ATOM 11266 O1P A B 581 -874.396 -67.796 70.418 1.00855.43 O ATOM 11267 O2P A B 581 -874.018 -65.476 69.382 1.00855.43 O ATOM 11268 O5* A B 581 -873.876 -65.819 71.847 1.00855.43 O ATOM 11269 C5* A B 581 -875.136 -65.852 72.511 1.00855.43 C ATOM 11270 C4* A B 581 -874.986 -66.471 73.878 1.00855.43 C ATOM 11271 O4* A B 581 -875.000 -67.917 73.768 1.00855.43 O ATOM 11272 C3* A B 581 -873.675 -66.145 74.575 1.00855.43 C ATOM 11273 O3* A B 581 -873.722 -64.892 75.248 1.00855.43 O ATOM 11274 C2* A B 581 -873.485 -67.330 75.515 1.00855.43 C ATOM 11275 O2* A B 581 -874.204 -67.189 76.726 1.00855.43 O ATOM 11276 C1* A B 581 -874.090 -68.476 74.698 1.00855.43 C ATOM 11277 N9 A B 581 -873.108 -69.252 73.943 1.00855.43 N ATOM 11278 C8 A B 581 -873.188 -69.617 72.619 1.00855.43 C ATOM 11279 N7 A B 581 -872.165 -70.320 72.202 1.00855.43 N ATOM 11280 C5 A B 581 -871.354 -70.428 73.325 1.00855.43 C ATOM 11281 C6 A B 581 -870.117 -71.057 73.535 1.00855.43 C ATOM 11282 N6 A B 581 -869.461 -71.727 72.587 1.00855.43 N ATOM 11283 N1 A B 581 -869.575 -70.979 74.767 1.00855.43 N ATOM 11284 C2 A B 581 -870.242 -70.310 75.720 1.00855.43 C ATOM 11285 N3 A B 581 -871.411 -69.675 75.641 1.00855.43 N ATOM 11286 C4 A B 581 -871.924 -69.772 74.402 1.00855.43 C ATOM 11287 P G B 582 -872.391 -64.287 75.909 1.00855.43 P ATOM 11288 O1P G B 582 -872.364 -62.835 75.603 1.00855.43 O ATOM 11289 O2P G B 582 -871.239 -65.140 75.516 1.00855.43 O ATOM 11290 O5* G B 582 -872.643 -64.467 77.469 1.00855.43 O ATOM 11291 C5* G B 582 -871.564 -64.567 78.389 1.00855.43 C ATOM 11292 C4* G B 582 -871.358 -66.007 78.789 1.00855.43 C ATOM 11293 O4* G B 582 -871.040 -66.803 77.620 1.00855.43 O ATOM 11294 C3* G B 582 -870.218 -66.250 79.761 1.00855.43 C ATOM 11295 O3* G B 582 -870.674 -66.074 81.096 1.00855.43 O ATOM 11296 C2* G B 582 -869.826 -67.697 79.471 1.00855.43 C ATOM 11297 O2* G B 582 -870.633 -68.628 80.161 1.00855.43 O ATOM 11298 C1* G B 582 -870.101 -67.805 77.968 1.00855.43 C ATOM 11299 N9 G B 582 -868.913 -67.644 77.138 1.00855.43 N ATOM 11300 C8 G B 582 -868.753 -66.795 76.071 1.00855.43 C ATOM 11301 N7 G B 582 -867.572 -66.884 75.519 1.00855.43 N ATOM 11302 C5 G B 582 -866.911 -67.847 76.269 1.00855.43 C ATOM 11303 C6 G B 582 -865.597 -68.369 76.143 1.00855.43 C ATOM 11304 O6 G B 582 -864.725 -68.074 75.317 1.00855.43 O ATOM 11305 N1 G B 582 -865.337 -69.333 77.113 1.00855.43 N ATOM 11306 C2 G B 582 -866.222 -69.743 78.077 1.00855.43 C ATOM 11307 N2 G B 582 -865.782 -70.686 78.924 1.00855.43 N ATOM 11308 N3 G B 582 -867.451 -69.266 78.202 1.00855.43 N ATOM 11309 C4 G B 582 -867.725 -68.328 77.272 1.00855.43 C ATOM 11310 P C B 583 -869.980 -64.979 82.041 1.00855.43 P ATOM 11311 O1P C B 583 -870.870 -64.778 83.211 1.00855.43 O ATOM 11312 O2P C B 583 -869.600 -63.814 81.199 1.00855.43 O ATOM 11313 O5* C B 583 -868.648 -65.696 82.541 1.00855.43 O ATOM 11314 C5* C B 583 -867.376 -65.078 82.377 1.00855.43 C ATOM 11315 C4* C B 583 -866.345 -66.111 81.978 1.00855.43 C ATOM 11316 O4* C B 583 -865.992 -66.913 83.127 1.00855.43 O ATOM 11317 C3* C B 583 -866.806 -67.069 80.896 1.00855.43 C ATOM 11318 O3* C B 583 -866.751 -66.564 79.560 1.00855.43 O ATOM 11319 C2* C B 583 -865.992 -68.337 81.193 1.00855.43 C ATOM 11320 O2* C B 583 -864.756 -68.493 80.530 1.00855.43 O ATOM 11321 C1* C B 583 -865.754 -68.242 82.704 1.00855.43 C ATOM 11322 N1 C B 583 -866.546 -69.167 83.529 1.00855.43 N ATOM 11323 C2 C B 583 -866.094 -70.482 83.655 1.00855.43 C ATOM 11324 O2 C B 583 -865.045 -70.814 83.084 1.00855.43 O ATOM 11325 N3 C B 583 -866.809 -71.359 84.395 1.00855.43 N ATOM 11326 C4 C B 583 -867.932 -70.962 84.995 1.00855.43 C ATOM 11327 N4 C B 583 -868.609 -71.864 85.709 1.00855.43 N ATOM 11328 C5 C B 583 -868.412 -69.624 84.889 1.00855.43 C ATOM 11329 C6 C B 583 -867.692 -68.764 84.150 1.00855.43 C ATOM 11330 P A B 584 -865.464 -65.735 79.053 1.00855.43 P ATOM 11331 O1P A B 584 -865.673 -65.425 77.616 1.00855.43 O ATOM 11332 O2P A B 584 -864.212 -66.397 79.485 1.00855.43 O ATOM 11333 O5* A B 584 -865.537 -64.367 79.867 1.00855.43 O ATOM 11334 C5* A B 584 -864.356 -63.748 80.376 1.00855.43 C ATOM 11335 C4* A B 584 -864.594 -62.270 80.546 1.00855.43 C ATOM 11336 O4* A B 584 -865.216 -61.767 79.341 1.00855.43 O ATOM 11337 C3* A B 584 -865.519 -61.831 81.668 1.00855.43 C ATOM 11338 O3* A B 584 -864.803 -61.744 82.895 1.00855.43 O ATOM 11339 C2* A B 584 -866.016 -60.481 81.172 1.00855.43 C ATOM 11340 O2* A B 584 -865.098 -59.435 81.421 1.00855.43 O ATOM 11341 C1* A B 584 -866.114 -60.727 79.661 1.00855.43 C ATOM 11342 N9 A B 584 -867.437 -61.171 79.241 1.00855.43 N ATOM 11343 C8 A B 584 -867.856 -62.475 79.118 1.00855.43 C ATOM 11344 N7 A B 584 -869.101 -62.593 78.723 1.00855.43 N ATOM 11345 C5 A B 584 -869.529 -61.281 78.579 1.00855.43 C ATOM 11346 C6 A B 584 -870.757 -60.729 78.183 1.00855.43 C ATOM 11347 N6 A B 584 -871.821 -61.460 77.847 1.00855.43 N ATOM 11348 N1 A B 584 -870.855 -59.382 78.144 1.00855.43 N ATOM 11349 C2 A B 584 -869.787 -58.652 78.478 1.00855.43 C ATOM 11350 N3 A B 584 -868.577 -59.053 78.866 1.00855.43 N ATOM 11351 C4 A B 584 -868.516 -60.395 78.896 1.00855.43 C ATOM 11352 P U B 585 -865.608 -61.777 84.288 1.00855.43 P ATOM 11353 O1P U B 585 -864.609 -61.807 85.385 1.00855.43 O ATOM 11354 O2P U B 585 -866.639 -62.846 84.207 1.00855.43 O ATOM 11355 O5* U B 585 -866.354 -60.372 84.335 1.00855.43 O ATOM 11356 C5* U B 585 -865.617 -59.154 84.418 1.00855.43 C ATOM 11357 C4* U B 585 -866.514 -57.980 84.116 1.00855.43 C ATOM 11358 O4* U B 585 -867.135 -58.151 82.817 1.00855.43 O ATOM 11359 C3* U B 585 -867.673 -57.773 85.084 1.00855.43 C ATOM 11360 O3* U B 585 -867.281 -57.043 86.239 1.00855.43 O ATOM 11361 C2* U B 585 -868.693 -57.027 84.233 1.00855.43 C ATOM 11362 O2* U B 585 -868.464 -55.632 84.185 1.00855.43 O ATOM 11363 C1* U B 585 -868.456 -57.636 82.846 1.00855.43 C ATOM 11364 N1 U B 585 -869.386 -58.727 82.523 1.00855.43 N ATOM 11365 C2 U B 585 -870.582 -58.396 81.918 1.00855.43 C ATOM 11366 O2 U B 585 -870.895 -57.245 81.654 1.00855.43 O ATOM 11367 N3 U B 585 -871.406 -59.458 81.642 1.00855.43 N ATOM 11368 C4 U B 585 -871.158 -60.790 81.898 1.00855.43 C ATOM 11369 O4 U B 585 -872.001 -61.634 81.590 1.00855.43 O ATOM 11370 C5 U B 585 -869.896 -61.050 82.522 1.00855.43 C ATOM 11371 C6 U B 585 -869.072 -60.034 82.805 1.00855.43 C ATOM 11372 P G B 586 -868.209 -57.075 87.549 1.00855.43 P ATOM 11373 O1P G B 586 -867.574 -56.201 88.571 1.00855.43 O ATOM 11374 O2P G B 586 -868.507 -58.494 87.877 1.00855.43 O ATOM 11375 O5* G B 586 -869.558 -56.378 87.067 1.00855.43 O ATOM 11376 C5* G B 586 -869.826 -55.021 87.394 1.00855.43 C ATOM 11377 C4* G B 586 -871.317 -54.781 87.447 1.00855.43 C ATOM 11378 O4* G B 586 -871.871 -54.817 86.108 1.00855.43 O ATOM 11379 C3* G B 586 -872.107 -55.822 88.221 1.00855.43 C ATOM 11380 O3* G B 586 -872.093 -55.595 89.618 1.00855.43 O ATOM 11381 C2* G B 586 -873.492 -55.714 87.601 1.00855.43 C ATOM 11382 O2* G B 586 -874.238 -54.632 88.122 1.00855.43 O ATOM 11383 C1* G B 586 -873.146 -55.441 86.135 1.00855.43 C ATOM 11384 N9 G B 586 -873.054 -56.686 85.380 1.00855.43 N ATOM 11385 C8 G B 586 -871.944 -57.476 85.210 1.00855.43 C ATOM 11386 N7 G B 586 -872.180 -58.545 84.501 1.00855.43 N ATOM 11387 C5 G B 586 -873.525 -58.455 84.181 1.00855.43 C ATOM 11388 C6 G B 586 -874.353 -59.328 83.428 1.00855.43 C ATOM 11389 O6 G B 586 -874.051 -60.391 82.878 1.00855.43 O ATOM 11390 N1 G B 586 -875.657 -58.856 83.352 1.00855.43 N ATOM 11391 C2 G B 586 -876.113 -57.691 83.922 1.00855.43 C ATOM 11392 N2 G B 586 -877.411 -57.409 83.732 1.00855.43 N ATOM 11393 N3 G B 586 -875.354 -56.868 84.626 1.00855.43 N ATOM 11394 C4 G B 586 -874.082 -57.310 84.712 1.00855.43 C ATOM 11395 P A B 587 -871.948 -56.848 90.609 1.00855.43 P ATOM 11396 O1P A B 587 -871.257 -56.352 91.823 1.00855.43 O ATOM 11397 O2P A B 587 -871.363 -57.977 89.846 1.00855.43 O ATOM 11398 O5* A B 587 -873.449 -57.235 90.975 1.00855.43 O ATOM 11399 C5* A B 587 -874.404 -56.234 91.318 1.00855.43 C ATOM 11400 C4* A B 587 -875.782 -56.650 90.856 1.00855.43 C ATOM 11401 O4* A B 587 -875.851 -56.719 89.410 1.00855.43 O ATOM 11402 C3* A B 587 -876.267 -58.009 91.344 1.00855.43 C ATOM 11403 O3* A B 587 -876.806 -57.940 92.657 1.00855.43 O ATOM 11404 C2* A B 587 -877.319 -58.378 90.306 1.00855.43 C ATOM 11405 O2* A B 587 -878.585 -57.817 90.584 1.00855.43 O ATOM 11406 C1* A B 587 -876.748 -57.749 89.031 1.00855.43 C ATOM 11407 N9 A B 587 -876.040 -58.705 88.175 1.00855.43 N ATOM 11408 C8 A B 587 -874.689 -58.923 88.072 1.00855.43 C ATOM 11409 N7 A B 587 -874.369 -59.859 87.212 1.00855.43 N ATOM 11410 C5 A B 587 -875.594 -60.283 86.711 1.00855.43 C ATOM 11411 C6 A B 587 -875.940 -61.261 85.760 1.00855.43 C ATOM 11412 N6 A B 587 -875.048 -62.018 85.115 1.00855.43 N ATOM 11413 N1 A B 587 -877.251 -61.434 85.489 1.00855.43 N ATOM 11414 C2 A B 587 -878.146 -60.675 86.137 1.00855.43 C ATOM 11415 N3 A B 587 -877.941 -59.729 87.050 1.00855.43 N ATOM 11416 C4 A B 587 -876.630 -59.580 87.296 1.00855.43 C ATOM 11417 P G B 588 -875.999 -58.595 93.879 1.00855.43 P ATOM 11418 O1P G B 588 -875.708 -57.508 94.848 1.00855.43 O ATOM 11419 O2P G B 588 -874.881 -59.404 93.326 1.00855.43 O ATOM 11420 O5* G B 588 -877.057 -59.586 94.534 1.00855.43 O ATOM 11421 C5* G B 588 -877.404 -60.820 93.911 1.00855.43 C ATOM 11422 C4* G B 588 -878.794 -61.220 94.320 1.00855.43 C ATOM 11423 O4* G B 588 -878.786 -61.591 95.717 1.00855.43 O ATOM 11424 C3* G B 588 -879.867 -60.134 94.205 1.00855.43 C ATOM 11425 O3* G B 588 -880.418 -60.031 92.899 1.00855.43 O ATOM 11426 C2* G B 588 -880.890 -60.552 95.259 1.00855.43 C ATOM 11427 O2* G B 588 -881.811 -61.509 94.783 1.00855.43 O ATOM 11428 C1* G B 588 -880.001 -61.198 96.325 1.00855.43 C ATOM 11429 N9 G B 588 -879.677 -60.350 97.471 1.00855.43 N ATOM 11430 C8 G B 588 -878.434 -59.892 97.836 1.00855.43 C ATOM 11431 N7 G B 588 -878.446 -59.201 98.940 1.00855.43 N ATOM 11432 C5 G B 588 -879.777 -59.189 99.324 1.00855.43 C ATOM 11433 C6 G B 588 -880.408 -58.599 100.454 1.00855.43 C ATOM 11434 O6 G B 588 -879.894 -57.958 101.381 1.00855.43 O ATOM 11435 N1 G B 588 -881.782 -58.822 100.443 1.00855.43 N ATOM 11436 C2 G B 588 -882.465 -59.521 99.477 1.00855.43 C ATOM 11437 N2 G B 588 -883.786 -59.618 99.641 1.00855.43 N ATOM 11438 N3 G B 588 -881.887 -60.086 98.430 1.00855.43 N ATOM 11439 C4 G B 588 -880.553 -59.883 98.419 1.00855.43 C ATOM 11440 P C B 589 -881.088 -58.654 92.417 1.00855.43 P ATOM 11441 O1P C B 589 -881.504 -58.835 91.005 1.00855.43 O ATOM 11442 O2P C B 589 -880.178 -57.535 92.780 1.00855.43 O ATOM 11443 O5* C B 589 -882.402 -58.540 93.307 1.00855.43 O ATOM 11444 C5* C B 589 -883.476 -59.458 93.132 1.00855.43 C ATOM 11445 C4* C B 589 -884.578 -59.168 94.121 1.00855.43 C ATOM 11446 O4* C B 589 -884.094 -59.378 95.470 1.00855.43 O ATOM 11447 C3* C B 589 -885.123 -57.745 94.152 1.00855.43 C ATOM 11448 O3* C B 589 -886.054 -57.463 93.117 1.00855.43 O ATOM 11449 C2* C B 589 -885.750 -57.670 95.537 1.00855.43 C ATOM 11450 O2* C B 589 -887.039 -58.249 95.587 1.00855.43 O ATOM 11451 C1* C B 589 -884.774 -58.510 96.362 1.00855.43 C ATOM 11452 N1 C B 589 -883.780 -57.661 97.029 1.00855.43 N ATOM 11453 C2 C B 589 -884.180 -56.889 98.123 1.00855.43 C ATOM 11454 O2 C B 589 -885.348 -56.988 98.526 1.00855.43 O ATOM 11455 N3 C B 589 -883.286 -56.067 98.713 1.00855.43 N ATOM 11456 C4 C B 589 -882.035 -56.001 98.254 1.00855.43 C ATOM 11457 N4 C B 589 -881.189 -55.161 98.855 1.00855.43 N ATOM 11458 C5 C B 589 -881.596 -56.790 97.152 1.00855.43 C ATOM 11459 C6 C B 589 -882.491 -57.600 96.577 1.00855.43 C ATOM 11460 P C B 590 -886.253 -55.944 92.628 1.00855.43 P ATOM 11461 O1P C B 590 -886.867 -55.982 91.277 1.00855.43 O ATOM 11462 O2P C B 590 -884.973 -55.219 92.832 1.00855.43 O ATOM 11463 O5* C B 590 -887.327 -55.362 93.648 1.00855.43 O ATOM 11464 C5* C B 590 -888.486 -56.118 93.983 1.00855.43 C ATOM 11465 C4* C B 590 -889.008 -55.713 95.342 1.00855.43 C ATOM 11466 O4* C B 590 -888.043 -56.053 96.371 1.00855.43 O ATOM 11467 C3* C B 590 -889.232 -54.229 95.487 1.00855.43 C ATOM 11468 O3* C B 590 -890.528 -53.903 95.014 1.00855.43 O ATOM 11469 C2* C B 590 -889.098 -54.005 96.987 1.00855.43 C ATOM 11470 O2* C B 590 -890.295 -54.279 97.689 1.00855.43 O ATOM 11471 C1* C B 590 -888.030 -55.034 97.360 1.00855.43 C ATOM 11472 N1 C B 590 -886.681 -54.443 97.410 1.00855.43 N ATOM 11473 C2 C B 590 -886.224 -53.915 98.621 1.00855.43 C ATOM 11474 O2 C B 590 -886.963 -53.970 99.614 1.00855.43 O ATOM 11475 N3 C B 590 -884.990 -53.364 98.677 1.00855.43 N ATOM 11476 C4 C B 590 -884.228 -53.326 97.586 1.00855.43 C ATOM 11477 N4 C B 590 -883.015 -52.772 97.683 1.00855.43 N ATOM 11478 C5 C B 590 -884.666 -53.854 96.336 1.00855.43 C ATOM 11479 C6 C B 590 -885.891 -54.400 96.295 1.00855.43 C ATOM 11480 P G B 591 -890.681 -52.863 93.806 1.00855.43 P ATOM 11481 O1P G B 591 -892.024 -53.088 93.232 1.00855.43 O ATOM 11482 O2P G B 591 -889.489 -52.991 92.932 1.00855.43 O ATOM 11483 O5* G B 591 -890.627 -51.435 94.515 1.00855.43 O ATOM 11484 C5* G B 591 -891.737 -50.932 95.255 1.00855.43 C ATOM 11485 C4* G B 591 -891.344 -49.690 96.019 1.00855.43 C ATOM 11486 O4* G B 591 -890.411 -50.059 97.062 1.00855.43 O ATOM 11487 C3* G B 591 -890.605 -48.602 95.257 1.00855.43 C ATOM 11488 O3* G B 591 -891.487 -47.738 94.563 1.00855.43 O ATOM 11489 C2* G B 591 -889.884 -47.849 96.363 1.00855.43 C ATOM 11490 O2* G B 591 -890.716 -46.900 96.998 1.00855.43 O ATOM 11491 C1* G B 591 -889.535 -48.981 97.326 1.00855.43 C ATOM 11492 N9 G B 591 -888.172 -49.452 97.118 1.00855.43 N ATOM 11493 C8 G B 591 -887.754 -50.392 96.208 1.00855.43 C ATOM 11494 N7 G B 591 -886.471 -50.617 96.258 1.00855.43 N ATOM 11495 C5 G B 591 -886.014 -49.770 97.259 1.00855.43 C ATOM 11496 C6 G B 591 -884.707 -49.572 97.766 1.00855.43 C ATOM 11497 O6 G B 591 -883.656 -50.130 97.432 1.00855.43 O ATOM 11498 N1 G B 591 -884.689 -48.608 98.767 1.00855.43 N ATOM 11499 C2 G B 591 -885.789 -47.926 99.228 1.00855.43 C ATOM 11500 N2 G B 591 -885.563 -47.030 100.199 1.00855.43 N ATOM 11501 N3 G B 591 -887.017 -48.110 98.771 1.00855.43 N ATOM 11502 C4 G B 591 -887.053 -49.040 97.793 1.00855.43 C ATOM 11503 P G B 592 -891.208 -47.424 93.014 1.00855.43 P ATOM 11504 O1P G B 592 -892.485 -47.080 92.335 1.00855.43 O ATOM 11505 O2P G B 592 -890.346 -48.505 92.472 1.00855.43 O ATOM 11506 O5* G B 592 -890.338 -46.108 93.052 1.00855.43 O ATOM 11507 C5* G B 592 -890.928 -44.866 93.359 1.00855.43 C ATOM 11508 C4* G B 592 -889.848 -43.891 93.702 1.00855.43 C ATOM 11509 O4* G B 592 -888.932 -44.571 94.599 1.00855.43 O ATOM 11510 C3* G B 592 -888.936 -43.395 92.600 1.00855.43 C ATOM 11511 O3* G B 592 -889.549 -42.324 91.898 1.00855.43 O ATOM 11512 C2* G B 592 -887.695 -42.967 93.361 1.00855.43 C ATOM 11513 O2* G B 592 -887.834 -41.687 93.942 1.00855.43 O ATOM 11514 C1* G B 592 -887.637 -44.024 94.459 1.00855.43 C ATOM 11515 N9 G B 592 -886.711 -45.094 94.098 1.00855.43 N ATOM 11516 C8 G B 592 -886.822 -46.011 93.077 1.00855.43 C ATOM 11517 N7 G B 592 -885.789 -46.803 92.992 1.00855.43 N ATOM 11518 C5 G B 592 -884.955 -46.389 94.023 1.00855.43 C ATOM 11519 C6 G B 592 -883.680 -46.865 94.430 1.00855.43 C ATOM 11520 O6 G B 592 -883.003 -47.780 93.941 1.00855.43 O ATOM 11521 N1 G B 592 -883.197 -46.159 95.527 1.00855.43 N ATOM 11522 C2 G B 592 -883.855 -45.126 96.149 1.00855.43 C ATOM 11523 N2 G B 592 -883.237 -44.567 97.200 1.00855.43 N ATOM 11524 N3 G B 592 -885.034 -44.671 95.779 1.00855.43 N ATOM 11525 C4 G B 592 -885.518 -45.346 94.719 1.00855.43 C ATOM 11526 P C B 593 -889.012 -41.929 90.436 1.00855.43 P ATOM 11527 O1P C B 593 -889.933 -40.913 89.871 1.00855.43 O ATOM 11528 O2P C B 593 -888.753 -43.184 89.684 1.00855.43 O ATOM 11529 O5* C B 593 -887.608 -41.229 90.722 1.00855.43 O ATOM 11530 C5* C B 593 -887.530 -40.020 91.470 1.00855.43 C ATOM 11531 C4* C B 593 -886.092 -39.702 91.810 1.00855.43 C ATOM 11532 O4* C B 593 -885.554 -40.760 92.644 1.00855.43 O ATOM 11533 C3* C B 593 -885.204 -39.689 90.596 1.00855.43 C ATOM 11534 O3* C B 593 -885.214 -38.389 90.017 1.00855.43 O ATOM 11535 C2* C B 593 -883.834 -40.057 91.157 1.00855.43 C ATOM 11536 O2* C B 593 -883.157 -38.939 91.699 1.00855.43 O ATOM 11537 C1* C B 593 -884.207 -41.022 92.278 1.00855.43 C ATOM 11538 N1 C B 593 -884.130 -42.430 91.861 1.00855.43 N ATOM 11539 C2 C B 593 -883.015 -43.201 92.228 1.00855.43 C ATOM 11540 O2 C B 593 -882.113 -42.677 92.902 1.00855.43 O ATOM 11541 N3 C B 593 -882.951 -44.495 91.840 1.00855.43 N ATOM 11542 C4 C B 593 -883.943 -45.020 91.111 1.00855.43 C ATOM 11543 N4 C B 593 -883.841 -46.299 90.748 1.00855.43 N ATOM 11544 C5 C B 593 -885.082 -44.261 90.726 1.00855.43 C ATOM 11545 C6 C B 593 -885.136 -42.984 91.118 1.00855.43 C ATOM 11546 P G B 594 -885.911 -38.167 88.586 1.00855.43 P ATOM 11547 O1P G B 594 -885.624 -36.777 88.158 1.00855.43 O ATOM 11548 O2P G B 594 -887.323 -38.629 88.680 1.00855.43 O ATOM 11549 O5* G B 594 -885.128 -39.160 87.619 1.00855.43 O ATOM 11550 C5* G B 594 -883.717 -39.057 87.444 1.00855.43 C ATOM 11551 C4* G B 594 -883.220 -40.178 86.565 1.00855.43 C ATOM 11552 O4* G B 594 -883.319 -41.441 87.269 1.00855.43 O ATOM 11553 C3* G B 594 -884.001 -40.418 85.284 1.00855.43 C ATOM 11554 O3* G B 594 -883.585 -39.518 84.257 1.00855.43 O ATOM 11555 C2* G B 594 -883.681 -41.870 84.949 1.00855.43 C ATOM 11556 O2* G B 594 -882.468 -42.012 84.237 1.00855.43 O ATOM 11557 C1* G B 594 -883.526 -42.491 86.341 1.00855.43 C ATOM 11558 N9 G B 594 -884.688 -43.258 86.779 1.00855.43 N ATOM 11559 C8 G B 594 -885.990 -42.823 86.836 1.00855.43 C ATOM 11560 N7 G B 594 -886.815 -43.732 87.285 1.00855.43 N ATOM 11561 C5 G B 594 -886.009 -44.832 87.538 1.00855.43 C ATOM 11562 C6 G B 594 -886.340 -46.117 88.039 1.00855.43 C ATOM 11563 O6 G B 594 -887.449 -46.551 88.377 1.00855.43 O ATOM 11564 N1 G B 594 -885.216 -46.934 88.132 1.00855.43 N ATOM 11565 C2 G B 594 -883.938 -46.567 87.788 1.00855.43 C ATOM 11566 N2 G B 594 -882.986 -47.503 87.944 1.00855.43 N ATOM 11567 N3 G B 594 -883.613 -45.371 87.326 1.00855.43 N ATOM 11568 C4 G B 594 -884.691 -44.561 87.225 1.00855.43 C ATOM 11569 P A B 595 -884.610 -38.408 83.709 1.00855.43 P ATOM 11570 O1P A B 595 -884.921 -37.504 84.839 1.00855.43 O ATOM 11571 O2P A B 595 -885.716 -39.099 83.001 1.00855.43 O ATOM 11572 O5* A B 595 -883.765 -37.584 82.641 1.00855.43 O ATOM 11573 C5* A B 595 -883.731 -36.156 82.667 1.00855.43 C ATOM 11574 C4* A B 595 -882.311 -35.675 82.502 1.00855.43 C ATOM 11575 O4* A B 595 -881.513 -36.214 83.585 1.00855.43 O ATOM 11576 C3* A B 595 -881.589 -36.136 81.248 1.00855.43 C ATOM 11577 O3* A B 595 -881.885 -35.303 80.132 1.00855.43 O ATOM 11578 C2* A B 595 -880.121 -36.064 81.655 1.00855.43 C ATOM 11579 O2* A B 595 -879.583 -34.765 81.523 1.00855.43 O ATOM 11580 C1* A B 595 -880.191 -36.446 83.136 1.00855.43 C ATOM 11581 N9 A B 595 -879.882 -37.851 83.388 1.00855.43 N ATOM 11582 C8 A B 595 -880.337 -38.946 82.691 1.00855.43 C ATOM 11583 N7 A B 595 -879.899 -40.089 83.158 1.00855.43 N ATOM 11584 C5 A B 595 -879.096 -39.728 84.232 1.00855.43 C ATOM 11585 C6 A B 595 -878.345 -40.482 85.146 1.00855.43 C ATOM 11586 N6 A B 595 -878.275 -41.816 85.125 1.00855.43 N ATOM 11587 N1 A B 595 -877.660 -39.812 86.097 1.00855.43 N ATOM 11588 C2 A B 595 -877.730 -38.475 86.118 1.00855.43 C ATOM 11589 N3 A B 595 -878.404 -37.654 85.317 1.00855.43 N ATOM 11590 C4 A B 595 -879.076 -38.352 84.382 1.00855.43 C ATOM 11591 P C B 596 -881.716 -35.875 78.639 1.00855.43 P ATOM 11592 O1P C B 596 -882.995 -36.530 78.266 1.00855.43 O ATOM 11593 O2P C B 596 -880.452 -36.653 78.580 1.00855.43 O ATOM 11594 O5* C B 596 -881.545 -34.568 77.744 1.00855.43 O ATOM 11595 C5* C B 596 -881.269 -33.303 78.343 1.00855.43 C ATOM 11596 C4* C B 596 -880.403 -32.464 77.431 1.00855.43 C ATOM 11597 O4* C B 596 -879.051 -32.974 77.443 1.00855.43 O ATOM 11598 C3* C B 596 -880.817 -32.470 75.960 1.00855.43 C ATOM 11599 O3* C B 596 -881.766 -31.435 75.711 1.00855.43 O ATOM 11600 C2* C B 596 -879.505 -32.186 75.230 1.00855.43 C ATOM 11601 O2* C B 596 -879.237 -30.803 75.108 1.00855.43 O ATOM 11602 C1* C B 596 -878.466 -32.803 76.170 1.00855.43 C ATOM 11603 N1 C B 596 -877.884 -34.089 75.782 1.00855.43 N ATOM 11604 C2 C B 596 -877.067 -34.146 74.654 1.00855.43 C ATOM 11605 O2 C B 596 -876.950 -33.135 73.940 1.00855.43 O ATOM 11606 N3 C B 596 -876.424 -35.298 74.371 1.00855.43 N ATOM 11607 C4 C B 596 -876.596 -36.368 75.155 1.00855.43 C ATOM 11608 N4 C B 596 -875.894 -37.470 74.882 1.00855.43 N ATOM 11609 C5 C B 596 -877.481 -36.355 76.260 1.00855.43 C ATOM 11610 C6 C B 596 -878.098 -35.207 76.538 1.00855.43 C ATOM 11611 P U B 597 -883.055 -31.715 74.802 1.00855.43 P ATOM 11612 O1P U B 597 -883.405 -33.153 74.916 1.00855.43 O ATOM 11613 O2P U B 597 -882.817 -31.120 73.463 1.00855.43 O ATOM 11614 O5* U B 597 -884.191 -30.863 75.526 1.00855.43 O ATOM 11615 C5* U B 597 -884.944 -31.424 76.596 1.00855.43 C ATOM 11616 C4* U B 597 -884.581 -30.760 77.906 1.00855.43 C ATOM 11617 O4* U B 597 -883.163 -30.899 78.165 1.00855.43 O ATOM 11618 C3* U B 597 -884.855 -29.267 77.978 1.00855.43 C ATOM 11619 O3* U B 597 -886.197 -29.029 78.384 1.00855.43 O ATOM 11620 C2* U B 597 -883.865 -28.787 79.035 1.00855.43 C ATOM 11621 O2* U B 597 -884.363 -28.927 80.350 1.00855.43 O ATOM 11622 C1* U B 597 -882.687 -29.744 78.831 1.00855.43 C ATOM 11623 N1 U B 597 -881.582 -29.170 78.054 1.00855.43 N ATOM 11624 C2 U B 597 -880.330 -29.157 78.636 1.00855.43 C ATOM 11625 O2 U B 597 -880.116 -29.598 79.753 1.00855.43 O ATOM 11626 N3 U B 597 -879.342 -28.611 77.862 1.00855.43 N ATOM 11627 C4 U B 597 -879.470 -28.087 76.593 1.00855.43 C ATOM 11628 O4 U B 597 -878.477 -27.629 76.024 1.00855.43 O ATOM 11629 C5 U B 597 -880.796 -28.137 76.061 1.00855.43 C ATOM 11630 C6 U B 597 -881.783 -28.663 76.792 1.00855.43 C ATOM 11631 P U B 598 -887.024 -27.816 77.730 1.00855.43 P ATOM 11632 O1P U B 598 -888.463 -28.091 77.977 1.00855.43 O ATOM 11633 O2P U B 598 -886.540 -27.618 76.341 1.00855.43 O ATOM 11634 O5* U B 598 -886.606 -26.544 78.600 1.00855.43 O ATOM 11635 C5* U B 598 -887.189 -26.318 79.879 1.00855.43 C ATOM 11636 C4* U B 598 -886.359 -25.336 80.674 1.00855.43 C ATOM 11637 O4* U B 598 -885.003 -25.838 80.805 1.00855.43 O ATOM 11638 C3* U B 598 -886.183 -23.940 80.094 1.00855.43 C ATOM 11639 O3* U B 598 -887.280 -23.081 80.380 1.00855.43 O ATOM 11640 C2* U B 598 -884.912 -23.456 80.780 1.00855.43 C ATOM 11641 O2* U B 598 -885.156 -22.948 82.077 1.00855.43 O ATOM 11642 C1* U B 598 -884.101 -24.748 80.888 1.00855.43 C ATOM 11643 N1 U B 598 -883.107 -24.870 79.810 1.00855.43 N ATOM 11644 C2 U B 598 -881.780 -24.730 80.157 1.00855.43 C ATOM 11645 O2 U B 598 -881.416 -24.518 81.302 1.00855.43 O ATOM 11646 N3 U B 598 -880.890 -24.844 79.119 1.00855.43 N ATOM 11647 C4 U B 598 -881.187 -25.083 77.795 1.00855.43 C ATOM 11648 O4 U B 598 -880.266 -25.181 76.980 1.00855.43 O ATOM 11649 C5 U B 598 -882.585 -25.217 77.511 1.00855.43 C ATOM 11650 C6 U B 598 -883.476 -25.111 78.507 1.00855.43 C ATOM 11651 P A B 599 -887.832 -22.096 79.234 1.00855.43 P ATOM 11652 O1P A B 599 -889.206 -21.679 79.622 1.00855.43 O ATOM 11653 O2P A B 599 -887.608 -22.746 77.917 1.00855.43 O ATOM 11654 O5* A B 599 -886.882 -20.820 79.320 1.00855.43 O ATOM 11655 C5* A B 599 -887.340 -19.601 79.902 1.00855.43 C ATOM 11656 C4* A B 599 -886.290 -18.521 79.748 1.00855.43 C ATOM 11657 O4* A B 599 -885.060 -18.948 80.387 1.00855.43 O ATOM 11658 C3* A B 599 -885.885 -18.125 78.327 1.00855.43 C ATOM 11659 O3* A B 599 -886.770 -17.179 77.738 1.00855.43 O ATOM 11660 C2* A B 599 -884.481 -17.557 78.532 1.00855.43 C ATOM 11661 O2* A B 599 -884.495 -16.203 78.932 1.00855.43 O ATOM 11662 C1* A B 599 -883.952 -18.421 79.681 1.00855.43 C ATOM 11663 N9 A B 599 -883.110 -19.541 79.258 1.00855.43 N ATOM 11664 C8 A B 599 -883.400 -20.881 79.298 1.00855.43 C ATOM 11665 N7 A B 599 -882.427 -21.646 78.863 1.00855.43 N ATOM 11666 C5 A B 599 -881.431 -20.747 78.508 1.00855.43 C ATOM 11667 C6 A B 599 -880.136 -20.927 77.981 1.00855.43 C ATOM 11668 N6 A B 599 -879.591 -22.116 77.712 1.00855.43 N ATOM 11669 N1 A B 599 -879.403 -19.818 77.736 1.00855.43 N ATOM 11670 C2 A B 599 -879.938 -18.619 78.012 1.00855.43 C ATOM 11671 N3 A B 599 -881.136 -18.325 78.512 1.00855.43 N ATOM 11672 C4 A B 599 -881.841 -19.447 78.738 1.00855.43 C ATOM 11673 P G B 600 -886.902 -17.086 76.139 1.00855.43 P ATOM 11674 O1P G B 600 -887.967 -16.091 75.848 1.00855.43 O ATOM 11675 O2P G B 600 -887.019 -18.462 75.599 1.00855.43 O ATOM 11676 O5* G B 600 -885.509 -16.472 75.668 1.00855.43 O ATOM 11677 C5* G B 600 -885.088 -15.189 76.126 1.00855.43 C ATOM 11678 C4* G B 600 -883.586 -15.059 76.032 1.00855.43 C ATOM 11679 O4* G B 600 -882.955 -16.224 76.619 1.00855.43 O ATOM 11680 C3* G B 600 -883.026 -14.934 74.608 1.00855.43 C ATOM 11681 O3* G B 600 -882.982 -13.574 74.177 1.00855.43 O ATOM 11682 C2* G B 600 -881.622 -15.527 74.754 1.00855.43 C ATOM 11683 O2* G B 600 -880.682 -14.577 75.210 1.00855.43 O ATOM 11684 C1* G B 600 -881.830 -16.586 75.842 1.00855.43 C ATOM 11685 N9 G B 600 -881.990 -17.962 75.385 1.00855.43 N ATOM 11686 C8 G B 600 -883.063 -18.798 75.596 1.00855.43 C ATOM 11687 N7 G B 600 -882.889 -19.990 75.091 1.00855.43 N ATOM 11688 C5 G B 600 -881.630 -19.939 74.509 1.00855.43 C ATOM 11689 C6 G B 600 -880.890 -20.938 73.817 1.00855.43 C ATOM 11690 O6 G B 600 -881.204 -22.112 73.585 1.00855.43 O ATOM 11691 N1 G B 600 -879.660 -20.453 73.380 1.00855.43 N ATOM 11692 C2 G B 600 -879.195 -19.179 73.589 1.00855.43 C ATOM 11693 N2 G B 600 -877.984 -18.900 73.083 1.00855.43 N ATOM 11694 N3 G B 600 -879.869 -18.243 74.240 1.00855.43 N ATOM 11695 C4 G B 600 -881.068 -18.689 74.669 1.00855.43 C ATOM 11696 P A B 601 -882.266 -13.188 72.787 1.00855.43 P ATOM 11697 O1P A B 601 -881.888 -14.439 72.082 1.00855.43 O ATOM 11698 O2P A B 601 -881.226 -12.170 73.081 1.00855.43 O ATOM 11699 O5* A B 601 -883.412 -12.485 71.936 1.00855.43 O ATOM 11700 C5* A B 601 -884.641 -13.151 71.674 1.00855.43 C ATOM 11701 C4* A B 601 -884.966 -13.087 70.203 1.00855.43 C ATOM 11702 O4* A B 601 -885.167 -11.700 69.823 1.00855.43 O ATOM 11703 C3* A B 601 -883.919 -13.558 69.217 1.00855.43 C ATOM 11704 O3* A B 601 -883.902 -14.979 69.109 1.00855.43 O ATOM 11705 C2* A B 601 -884.342 -12.869 67.926 1.00855.43 C ATOM 11706 O2* A B 601 -885.381 -13.559 67.259 1.00855.43 O ATOM 11707 C1* A B 601 -884.866 -11.531 68.447 1.00855.43 C ATOM 11708 N9 A B 601 -883.836 -10.500 68.329 1.00855.43 N ATOM 11709 C8 A B 601 -882.723 -10.342 69.116 1.00855.43 C ATOM 11710 N7 A B 601 -881.943 -9.360 68.738 1.00855.43 N ATOM 11711 C5 A B 601 -882.591 -8.826 67.633 1.00855.43 C ATOM 11712 C6 A B 601 -882.272 -7.762 66.771 1.00855.43 C ATOM 11713 N6 A B 601 -881.164 -7.026 66.884 1.00855.43 N ATOM 11714 N1 A B 601 -883.136 -7.484 65.772 1.00855.43 N ATOM 11715 C2 A B 601 -884.239 -8.233 65.651 1.00855.43 C ATOM 11716 N3 A B 601 -884.645 -9.260 66.393 1.00855.43 N ATOM 11717 C4 A B 601 -883.766 -9.512 67.379 1.00855.43 C ATOM 11718 P C B 602 -882.580 -15.729 68.563 1.00855.43 P ATOM 11719 O1P C B 602 -882.123 -15.010 67.350 1.00855.43 O ATOM 11720 O2P C B 602 -882.885 -17.179 68.482 1.00855.43 O ATOM 11721 O5* C B 602 -881.475 -15.523 69.699 1.00855.43 O ATOM 11722 C5* C B 602 -880.366 -14.648 69.492 1.00855.43 C ATOM 11723 C4* C B 602 -879.065 -15.429 69.435 1.00855.43 C ATOM 11724 O4* C B 602 -879.030 -16.391 70.524 1.00855.43 O ATOM 11725 C3* C B 602 -878.902 -16.260 68.184 1.00855.43 C ATOM 11726 O3* C B 602 -878.265 -15.485 67.173 1.00855.43 O ATOM 11727 C2* C B 602 -877.982 -17.387 68.630 1.00855.43 C ATOM 11728 O2* C B 602 -876.615 -17.024 68.590 1.00855.43 O ATOM 11729 C1* C B 602 -878.414 -17.591 70.082 1.00855.43 C ATOM 11730 N1 C B 602 -879.375 -18.700 70.199 1.00855.43 N ATOM 11731 C2 C B 602 -878.881 -20.006 70.321 1.00855.43 C ATOM 11732 O2 C B 602 -877.656 -20.185 70.360 1.00855.43 O ATOM 11733 N3 C B 602 -879.755 -21.038 70.388 1.00855.43 N ATOM 11734 C4 C B 602 -881.068 -20.803 70.343 1.00855.43 C ATOM 11735 N4 C B 602 -881.889 -21.854 70.400 1.00855.43 N ATOM 11736 C5 C B 602 -881.597 -19.482 70.244 1.00855.43 C ATOM 11737 C6 C B 602 -880.724 -18.469 70.176 1.00855.43 C ATOM 11738 P C B 603 -879.132 -14.916 65.941 1.00855.43 P ATOM 11739 O1P C B 603 -878.234 -14.840 64.762 1.00855.43 O ATOM 11740 O2P C B 603 -879.849 -13.699 66.398 1.00855.43 O ATOM 11741 O5* C B 603 -880.224 -16.043 65.658 1.00855.43 O ATOM 11742 C5* C B 603 -880.778 -16.220 64.354 1.00855.43 C ATOM 11743 C4* C B 603 -880.115 -17.383 63.647 1.00855.43 C ATOM 11744 O4* C B 603 -879.562 -18.287 64.639 1.00855.43 O ATOM 11745 C3* C B 603 -881.017 -18.250 62.795 1.00855.43 C ATOM 11746 O3* C B 603 -881.125 -17.711 61.481 1.00855.43 O ATOM 11747 C2* C B 603 -880.308 -19.600 62.796 1.00855.43 C ATOM 11748 O2* C B 603 -879.290 -19.715 61.829 1.00855.43 O ATOM 11749 C1* C B 603 -879.656 -19.621 64.176 1.00855.43 C ATOM 11750 N1 C B 603 -880.409 -20.411 65.153 1.00855.43 N ATOM 11751 C2 C B 603 -879.998 -21.720 65.412 1.00855.43 C ATOM 11752 O2 C B 603 -879.021 -22.174 64.803 1.00855.43 O ATOM 11753 N3 C B 603 -880.680 -22.462 66.314 1.00855.43 N ATOM 11754 C4 C B 603 -881.731 -21.938 66.946 1.00855.43 C ATOM 11755 N4 C B 603 -882.371 -22.704 67.831 1.00855.43 N ATOM 11756 C5 C B 603 -882.175 -20.608 66.698 1.00855.43 C ATOM 11757 C6 C B 603 -881.488 -19.887 65.804 1.00855.43 C ATOM 11758 P U B 604 -882.056 -17.789 60.084 1.00851.41 P ATOM 11759 O1P U B 604 -881.984 -16.831 58.954 1.00851.41 O ATOM 11760 O2P U B 604 -883.148 -17.664 61.084 1.00851.41 O ATOM 11761 O5* U B 604 -882.100 -19.263 59.484 1.00851.41 O ATOM 11762 C5* U B 604 -881.212 -19.643 58.435 1.00851.41 C ATOM 11763 C4* U B 604 -880.961 -21.132 58.469 1.00851.41 C ATOM 11764 O4* U B 604 -880.510 -21.528 59.789 1.00851.41 O ATOM 11765 C3* U B 604 -882.170 -21.985 58.202 1.00851.41 C ATOM 11766 O3* U B 604 -882.322 -22.130 56.796 1.00851.41 O ATOM 11767 C2* U B 604 -881.831 -23.299 58.895 1.00851.41 C ATOM 11768 O2* U B 604 -881.031 -24.150 58.097 1.00851.41 O ATOM 11769 C1* U B 604 -881.016 -22.815 60.100 1.00851.41 C ATOM 11770 N1 U B 604 -881.823 -22.714 61.323 1.00851.41 N ATOM 11771 C2 U B 604 -881.479 -23.521 62.398 1.00851.41 C ATOM 11772 O2 U B 604 -880.539 -24.294 62.372 1.00851.41 O ATOM 11773 N3 U B 604 -882.284 -23.389 63.505 1.00851.41 N ATOM 11774 C4 U B 604 -883.373 -22.539 63.641 1.00851.41 C ATOM 11775 O4 U B 604 -883.997 -22.523 64.702 1.00851.41 O ATOM 11776 C5 U B 604 -883.653 -21.738 62.488 1.00851.41 C ATOM 11777 C6 U B 604 -882.891 -21.848 61.398 1.00851.41 C ATOM 11778 P G B 605 -883.659 -21.597 56.086 1.00851.41 P ATOM 11779 O1P G B 605 -883.361 -21.456 54.636 1.00851.41 O ATOM 11780 O2P G B 605 -884.163 -20.428 56.848 1.00851.41 O ATOM 11781 O5* G B 605 -884.684 -22.806 56.267 1.00851.41 O ATOM 11782 C5* G B 605 -884.453 -24.038 55.601 1.00851.41 C ATOM 11783 C4* G B 605 -884.984 -25.196 56.414 1.00851.41 C ATOM 11784 O4* G B 605 -884.529 -25.104 57.788 1.00851.41 O ATOM 11785 C3* G B 605 -886.494 -25.336 56.503 1.00851.41 C ATOM 11786 O3* G B 605 -887.027 -26.019 55.376 1.00851.41 O ATOM 11787 C2* G B 605 -886.667 -26.154 57.776 1.00851.41 C ATOM 11788 O2* G B 605 -886.504 -27.543 57.556 1.00851.41 O ATOM 11789 C1* G B 605 -885.520 -25.640 58.646 1.00851.41 C ATOM 11790 N9 G B 605 -885.983 -24.616 59.580 1.00851.41 N ATOM 11791 C8 G B 605 -885.526 -23.330 59.740 1.00851.41 C ATOM 11792 N7 G B 605 -886.183 -22.666 60.658 1.00851.41 N ATOM 11793 C5 G B 605 -887.125 -23.574 61.129 1.00851.41 C ATOM 11794 C6 G B 605 -888.132 -23.434 62.130 1.00851.41 C ATOM 11795 O6 G B 605 -888.404 -22.450 62.828 1.00851.41 O ATOM 11796 N1 G B 605 -888.860 -24.611 62.287 1.00851.41 N ATOM 11797 C2 G B 605 -888.651 -25.768 61.576 1.00851.41 C ATOM 11798 N2 G B 605 -889.453 -26.798 61.865 1.00851.41 N ATOM 11799 N3 G B 605 -887.726 -25.906 60.646 1.00851.41 N ATOM 11800 C4 G B 605 -887.006 -24.782 60.478 1.00851.41 C ATOM 11801 P A B 606 -888.583 -25.844 55.009 1.00851.41 P ATOM 11802 O1P A B 606 -888.748 -26.144 53.565 1.00851.41 O ATOM 11803 O2P A B 606 -889.041 -24.534 55.541 1.00851.41 O ATOM 11804 O5* A B 606 -889.312 -26.989 55.843 1.00851.41 O ATOM 11805 C5* A B 606 -889.492 -28.294 55.295 1.00851.41 C ATOM 11806 C4* A B 606 -890.636 -28.990 55.987 1.00851.41 C ATOM 11807 O4* A B 606 -890.404 -28.980 57.421 1.00851.41 O ATOM 11808 C3* A B 606 -892.010 -28.379 55.844 1.00851.41 C ATOM 11809 O3* A B 606 -892.597 -28.777 54.614 1.00851.41 O ATOM 11810 C2* A B 606 -892.753 -28.919 57.058 1.00851.41 C ATOM 11811 O2* A B 606 -893.249 -30.226 56.858 1.00851.41 O ATOM 11812 C1* A B 606 -891.643 -28.934 58.108 1.00851.41 C ATOM 11813 N9 A B 606 -891.663 -27.702 58.894 1.00851.41 N ATOM 11814 C8 A B 606 -891.127 -26.487 58.548 1.00851.41 C ATOM 11815 N7 A B 606 -891.328 -25.546 59.437 1.00851.41 N ATOM 11816 C5 A B 606 -892.038 -26.187 60.440 1.00851.41 C ATOM 11817 C6 A B 606 -892.556 -25.733 61.667 1.00851.41 C ATOM 11818 N6 A B 606 -892.435 -24.475 62.102 1.00851.41 N ATOM 11819 N1 A B 606 -893.210 -26.628 62.439 1.00851.41 N ATOM 11820 C2 A B 606 -893.331 -27.886 61.999 1.00851.41 C ATOM 11821 N3 A B 606 -892.889 -28.431 60.868 1.00851.41 N ATOM 11822 C4 A B 606 -892.243 -27.518 60.124 1.00851.41 C ATOM 11823 P C B 607 -893.744 -27.864 53.959 1.00851.41 P ATOM 11824 O1P C B 607 -894.305 -28.594 52.795 1.00851.41 O ATOM 11825 O2P C B 607 -893.196 -26.494 53.771 1.00851.41 O ATOM 11826 O5* C B 607 -894.864 -27.789 55.090 1.00851.41 O ATOM 11827 C5* C B 607 -895.697 -28.913 55.366 1.00851.41 C ATOM 11828 C4* C B 607 -896.604 -28.612 56.535 1.00851.41 C ATOM 11829 O4* C B 607 -895.801 -28.299 57.704 1.00851.41 O ATOM 11830 C3* C B 607 -897.527 -27.423 56.428 1.00851.41 C ATOM 11831 O3* C B 607 -898.685 -27.766 55.680 1.00851.41 O ATOM 11832 C2* C B 607 -897.848 -27.099 57.881 1.00851.41 C ATOM 11833 O2* C B 607 -898.880 -27.906 58.401 1.00851.41 O ATOM 11834 C1* C B 607 -896.532 -27.449 58.573 1.00851.41 C ATOM 11835 N1 C B 607 -895.731 -26.243 58.818 1.00851.41 N ATOM 11836 C2 C B 607 -895.833 -25.600 60.054 1.00851.41 C ATOM 11837 O2 C B 607 -896.571 -26.084 60.922 1.00851.41 O ATOM 11838 N3 C B 607 -895.122 -24.467 60.270 1.00851.41 N ATOM 11839 C4 C B 607 -894.335 -23.984 59.308 1.00851.41 C ATOM 11840 N4 C B 607 -893.664 -22.859 59.558 1.00851.41 N ATOM 11841 C5 C B 607 -894.201 -24.627 58.044 1.00851.41 C ATOM 11842 C6 C B 607 -894.910 -25.743 57.845 1.00851.41 C ATOM 11843 P G B 608 -899.549 -26.601 54.989 1.00851.41 P ATOM 11844 O1P G B 608 -900.689 -27.244 54.293 1.00851.41 O ATOM 11845 O2P G B 608 -898.625 -25.724 54.227 1.00851.41 O ATOM 11846 O5* G B 608 -900.121 -25.771 56.222 1.00851.41 O ATOM 11847 C5* G B 608 -901.331 -26.166 56.859 1.00851.41 C ATOM 11848 C4* G B 608 -901.771 -25.129 57.867 1.00851.41 C ATOM 11849 O4* G B 608 -900.882 -25.117 59.011 1.00851.41 O ATOM 11850 C3* G B 608 -901.829 -23.681 57.391 1.00851.41 C ATOM 11851 O3* G B 608 -903.024 -23.377 56.680 1.00851.41 O ATOM 11852 C2* G B 608 -901.735 -22.908 58.703 1.00851.41 C ATOM 11853 O2* G B 608 -902.981 -22.795 59.358 1.00851.41 O ATOM 11854 C1* G B 608 -900.816 -23.801 59.538 1.00851.41 C ATOM 11855 N9 G B 608 -899.426 -23.354 59.540 1.00851.41 N ATOM 11856 C8 G B 608 -898.469 -23.598 58.586 1.00851.41 C ATOM 11857 N7 G B 608 -897.317 -23.048 58.866 1.00851.41 N ATOM 11858 C5 G B 608 -897.527 -22.402 60.080 1.00851.41 C ATOM 11859 C6 G B 608 -896.642 -21.636 60.882 1.00851.41 C ATOM 11860 O6 G B 608 -895.457 -21.355 60.673 1.00851.41 O ATOM 11861 N1 G B 608 -897.271 -21.167 62.033 1.00851.41 N ATOM 11862 C2 G B 608 -898.575 -21.405 62.372 1.00851.41 C ATOM 11863 N2 G B 608 -898.992 -20.868 63.531 1.00851.41 N ATOM 11864 N3 G B 608 -899.414 -22.121 61.633 1.00851.41 N ATOM 11865 C4 G B 608 -898.826 -22.584 60.509 1.00851.41 C ATOM 11866 P U B 609 -903.023 -22.182 55.604 1.00851.41 P ATOM 11867 O1P U B 609 -904.373 -22.143 54.981 1.00851.41 O ATOM 11868 O2P U B 609 -901.821 -22.322 54.745 1.00851.41 O ATOM 11869 O5* U B 609 -902.856 -20.872 56.494 1.00851.41 O ATOM 11870 C5* U B 609 -903.885 -20.467 57.389 1.00851.41 C ATOM 11871 C4* U B 609 -903.408 -19.325 58.258 1.00851.41 C ATOM 11872 O4* U B 609 -902.289 -19.750 59.075 1.00851.41 O ATOM 11873 C3* U B 609 -902.897 -18.073 57.565 1.00851.41 C ATOM 11874 O3* U B 609 -903.955 -17.228 57.136 1.00851.41 O ATOM 11875 C2* U B 609 -902.040 -17.417 58.644 1.00851.41 C ATOM 11876 O2* U B 609 -902.804 -16.651 59.553 1.00851.41 O ATOM 11877 C1* U B 609 -901.463 -18.637 59.365 1.00851.41 C ATOM 11878 N1 U B 609 -900.085 -18.951 58.950 1.00851.41 N ATOM 11879 C2 U B 609 -899.077 -18.770 59.882 1.00851.41 C ATOM 11880 O2 U B 609 -899.284 -18.367 61.011 1.00851.41 O ATOM 11881 N3 U B 609 -897.817 -19.076 59.434 1.00851.41 N ATOM 11882 C4 U B 609 -897.465 -19.533 58.183 1.00851.41 C ATOM 11883 O4 U B 609 -896.282 -19.762 57.930 1.00851.41 O ATOM 11884 C5 U B 609 -898.565 -19.696 57.278 1.00851.41 C ATOM 11885 C6 U B 609 -899.807 -19.409 57.684 1.00851.41 C ATOM 11886 P G B 610 -903.651 -16.061 56.078 1.00851.41 P ATOM 11887 O1P G B 610 -904.950 -15.442 55.712 1.00851.41 O ATOM 11888 O2P G B 610 -902.774 -16.608 55.011 1.00851.41 O ATOM 11889 O5* G B 610 -902.815 -14.999 56.921 1.00851.41 O ATOM 11890 C5* G B 610 -903.448 -14.233 57.939 1.00851.41 C ATOM 11891 C4* G B 610 -902.543 -13.111 58.391 1.00851.41 C ATOM 11892 O4* G B 610 -901.457 -13.617 59.208 1.00851.41 O ATOM 11893 C3* G B 610 -901.857 -12.393 57.254 1.00851.41 C ATOM 11894 O3* G B 610 -902.702 -11.408 56.671 1.00851.41 O ATOM 11895 C2* G B 610 -900.636 -11.781 57.930 1.00851.41 C ATOM 11896 O2* G B 610 -900.931 -10.559 58.576 1.00851.41 O ATOM 11897 C1* G B 610 -900.286 -12.845 58.973 1.00851.41 C ATOM 11898 N9 G B 610 -899.225 -13.731 58.498 1.00851.41 N ATOM 11899 C8 G B 610 -899.362 -15.018 58.034 1.00851.41 C ATOM 11900 N7 G B 610 -898.231 -15.540 57.638 1.00851.41 N ATOM 11901 C5 G B 610 -897.291 -14.543 57.860 1.00851.41 C ATOM 11902 C6 G B 610 -895.883 -14.525 57.617 1.00851.41 C ATOM 11903 O6 G B 610 -895.168 -15.415 57.134 1.00851.41 O ATOM 11904 N1 G B 610 -895.311 -13.316 57.997 1.00851.41 N ATOM 11905 C2 G B 610 -896.005 -12.253 58.534 1.00851.41 C ATOM 11906 N2 G B 610 -895.282 -11.167 58.843 1.00851.41 N ATOM 11907 N3 G B 610 -897.312 -12.256 58.758 1.00851.41 N ATOM 11908 C4 G B 610 -897.887 -13.422 58.401 1.00851.41 C ATOM 11909 P C B 611 -903.511 -11.766 55.328 1.00851.41 P ATOM 11910 O1P C B 611 -904.903 -12.115 55.715 1.00851.41 O ATOM 11911 O2P C B 611 -902.699 -12.742 54.555 1.00851.41 O ATOM 11912 O5* C B 611 -903.535 -10.389 54.531 1.00851.41 O ATOM 11913 C5* C B 611 -902.554 -10.093 53.537 1.00851.41 C ATOM 11914 C4* C B 611 -901.406 -9.332 54.156 1.00851.41 C ATOM 11915 O4* C B 611 -900.890 -10.104 55.271 1.00851.41 O ATOM 11916 C3* C B 611 -900.217 -9.134 53.246 1.00851.41 C ATOM 11917 O3* C B 611 -900.389 -7.946 52.475 1.00851.41 O ATOM 11918 C2* C B 611 -899.062 -9.007 54.231 1.00851.41 C ATOM 11919 O2* C B 611 -898.986 -7.712 54.792 1.00851.41 O ATOM 11920 C1* C B 611 -899.480 -9.996 55.318 1.00851.41 C ATOM 11921 N1 C B 611 -898.934 -11.339 55.075 1.00851.41 N ATOM 11922 C2 C B 611 -897.596 -11.599 55.385 1.00851.41 C ATOM 11923 O2 C B 611 -896.903 -10.693 55.872 1.00851.41 O ATOM 11924 N3 C B 611 -897.093 -12.831 55.137 1.00851.41 N ATOM 11925 C4 C B 611 -897.873 -13.779 54.610 1.00851.41 C ATOM 11926 N4 C B 611 -897.336 -14.976 54.375 1.00851.41 N ATOM 11927 C5 C B 611 -899.240 -13.540 54.295 1.00851.41 C ATOM 11928 C6 C B 611 -899.726 -12.319 54.546 1.00851.41 C ATOM 11929 P G B 612 -901.162 -8.015 51.066 1.00851.41 P ATOM 11930 O1P G B 612 -902.309 -7.074 51.138 1.00851.41 O ATOM 11931 O2P G B 612 -901.408 -9.447 50.754 1.00851.41 O ATOM 11932 O5* G B 612 -900.120 -7.451 49.997 1.00851.41 O ATOM 11933 C5* G B 612 -899.106 -6.519 50.369 1.00851.41 C ATOM 11934 C4* G B 612 -897.800 -6.874 49.690 1.00851.41 C ATOM 11935 O4* G B 612 -897.340 -8.142 50.212 1.00851.41 O ATOM 11936 C3* G B 612 -897.884 -7.057 48.176 1.00851.41 C ATOM 11937 O3* G B 612 -897.605 -5.840 47.492 1.00851.41 O ATOM 11938 C2* G B 612 -896.779 -8.072 47.892 1.00851.41 C ATOM 11939 O2* G B 612 -895.514 -7.457 47.741 1.00851.41 O ATOM 11940 C1* G B 612 -896.775 -8.913 49.173 1.00851.41 C ATOM 11941 N9 G B 612 -897.537 -10.152 49.072 1.00851.41 N ATOM 11942 C8 G B 612 -898.900 -10.299 49.171 1.00851.41 C ATOM 11943 N7 G B 612 -899.291 -11.538 49.059 1.00851.41 N ATOM 11944 C5 G B 612 -898.115 -12.254 48.873 1.00851.41 C ATOM 11945 C6 G B 612 -897.902 -13.644 48.696 1.00851.41 C ATOM 11946 O6 G B 612 -898.738 -14.555 48.669 1.00851.41 O ATOM 11947 N1 G B 612 -896.550 -13.940 48.542 1.00851.41 N ATOM 11948 C2 G B 612 -895.534 -13.015 48.553 1.00851.41 C ATOM 11949 N2 G B 612 -894.295 -13.498 48.387 1.00851.41 N ATOM 11950 N3 G B 612 -895.719 -11.716 48.721 1.00851.41 N ATOM 11951 C4 G B 612 -897.026 -11.411 48.874 1.00851.41 C ATOM 11952 P A B 613 -898.798 -4.874 47.011 1.00851.41 P ATOM 11953 O1P A B 613 -899.985 -5.147 47.858 1.00851.41 O ATOM 11954 O2P A B 613 -898.908 -4.979 45.536 1.00851.41 O ATOM 11955 O5* A B 613 -898.245 -3.420 47.364 1.00851.41 O ATOM 11956 C5* A B 613 -898.130 -2.989 48.722 1.00851.41 C ATOM 11957 C4* A B 613 -897.030 -3.766 49.411 1.00851.41 C ATOM 11958 O4* A B 613 -895.784 -3.619 48.685 1.00851.41 O ATOM 11959 C3* A B 613 -896.668 -3.454 50.843 1.00851.41 C ATOM 11960 O3* A B 613 -897.589 -4.080 51.725 1.00851.41 O ATOM 11961 C2* A B 613 -895.273 -4.057 50.965 1.00851.41 C ATOM 11962 O2* A B 613 -895.293 -5.447 51.209 1.00851.41 O ATOM 11963 C1* A B 613 -894.694 -3.805 49.573 1.00851.41 C ATOM 11964 N9 A B 613 -893.871 -2.600 49.565 1.00851.41 N ATOM 11965 C8 A B 613 -894.265 -1.342 49.208 1.00851.41 C ATOM 11966 N7 A B 613 -893.330 -0.436 49.341 1.00851.41 N ATOM 11967 C5 A B 613 -892.238 -1.149 49.809 1.00851.41 C ATOM 11968 C6 A B 613 -890.938 -0.759 50.153 1.00851.41 C ATOM 11969 N6 A B 613 -890.500 0.502 50.085 1.00851.41 N ATOM 11970 N1 A B 613 -890.088 -1.716 50.582 1.00851.41 N ATOM 11971 C2 A B 613 -890.533 -2.977 50.655 1.00851.41 C ATOM 11972 N3 A B 613 -891.738 -3.466 50.363 1.00851.41 N ATOM 11973 C4 A B 613 -892.555 -2.489 49.940 1.00851.41 C ATOM 11974 P G B 614 -897.523 -3.754 53.297 1.00851.41 P ATOM 11975 O1P G B 614 -898.846 -4.083 53.882 1.00851.41 O ATOM 11976 O2P G B 614 -896.963 -2.388 53.471 1.00851.41 O ATOM 11977 O5* G B 614 -896.460 -4.798 53.855 1.00851.41 O ATOM 11978 C5* G B 614 -896.699 -6.201 53.761 1.00851.41 C ATOM 11979 C4* G B 614 -895.770 -6.946 54.684 1.00851.41 C ATOM 11980 O4* G B 614 -894.388 -6.661 54.334 1.00851.41 O ATOM 11981 C3* G B 614 -895.791 -6.548 56.139 1.00851.41 C ATOM 11982 O3* G B 614 -896.916 -7.148 56.766 1.00851.41 O ATOM 11983 C2* G B 614 -894.454 -7.028 56.685 1.00851.41 C ATOM 11984 O2* G B 614 -894.489 -8.374 57.112 1.00851.41 O ATOM 11985 C1* G B 614 -893.555 -6.899 55.455 1.00851.41 C ATOM 11986 N9 G B 614 -892.629 -5.776 55.562 1.00851.41 N ATOM 11987 C8 G B 614 -892.956 -4.443 55.616 1.00851.41 C ATOM 11988 N7 G B 614 -891.918 -3.663 55.722 1.00851.41 N ATOM 11989 C5 G B 614 -890.833 -4.528 55.738 1.00851.41 C ATOM 11990 C6 G B 614 -889.445 -4.261 55.839 1.00851.41 C ATOM 11991 O6 G B 614 -888.874 -3.167 55.938 1.00851.41 O ATOM 11992 N1 G B 614 -888.700 -5.433 55.824 1.00851.41 N ATOM 11993 C2 G B 614 -889.215 -6.700 55.721 1.00851.41 C ATOM 11994 N2 G B 614 -888.329 -7.700 55.726 1.00851.41 N ATOM 11995 N3 G B 614 -890.511 -6.966 55.622 1.00851.41 N ATOM 11996 C4 G B 614 -891.256 -5.839 55.638 1.00851.41 C ATOM 11997 P C B 615 -897.475 -6.536 58.143 1.00851.41 P ATOM 11998 O1P C B 615 -898.751 -7.223 58.458 1.00851.41 O ATOM 11999 O2P C B 615 -897.446 -5.054 58.034 1.00851.41 O ATOM 12000 O5* C B 615 -896.384 -6.979 59.214 1.00851.41 O ATOM 12001 C5* C B 615 -896.396 -8.294 59.753 1.00851.41 C ATOM 12002 C4* C B 615 -895.194 -8.514 60.640 1.00851.41 C ATOM 12003 O4* C B 615 -893.980 -8.229 59.900 1.00851.41 O ATOM 12004 C3* C B 615 -895.086 -7.651 61.886 1.00851.41 C ATOM 12005 O3* C B 615 -895.860 -8.173 62.959 1.00851.41 O ATOM 12006 C2* C B 615 -893.593 -7.699 62.193 1.00851.41 C ATOM 12007 O2* C B 615 -893.224 -8.858 62.910 1.00851.41 O ATOM 12008 C1* C B 615 -892.981 -7.759 60.790 1.00851.41 C ATOM 12009 N1 C B 615 -892.490 -6.458 60.304 1.00851.41 N ATOM 12010 C2 C B 615 -891.141 -6.133 60.502 1.00851.41 C ATOM 12011 O2 C B 615 -890.406 -6.948 61.084 1.00851.41 O ATOM 12012 N3 C B 615 -890.677 -4.941 60.059 1.00851.41 N ATOM 12013 C4 C B 615 -891.498 -4.094 59.441 1.00851.41 C ATOM 12014 N4 C B 615 -891.001 -2.929 59.019 1.00851.41 N ATOM 12015 C5 C B 615 -892.877 -4.397 59.225 1.00851.41 C ATOM 12016 C6 C B 615 -893.324 -5.580 59.671 1.00851.41 C ATOM 12017 P U B 616 -896.092 -7.284 64.280 1.00851.41 P ATOM 12018 O1P U B 616 -897.241 -7.868 65.016 1.00851.41 O ATOM 12019 O2P U B 616 -896.130 -5.855 63.873 1.00851.41 O ATOM 12020 O5* U B 616 -894.780 -7.524 65.147 1.00851.41 O ATOM 12021 C5* U B 616 -894.655 -6.972 66.456 1.00851.41 C ATOM 12022 C4* U B 616 -893.221 -6.578 66.711 1.00851.41 C ATOM 12023 O4* U B 616 -892.773 -5.720 65.630 1.00851.41 O ATOM 12024 C3* U B 616 -892.987 -5.775 67.970 1.00851.41 C ATOM 12025 O3* U B 616 -892.790 -6.629 69.092 1.00851.41 O ATOM 12026 C2* U B 616 -891.724 -4.987 67.638 1.00851.41 C ATOM 12027 O2* U B 616 -890.541 -5.732 67.868 1.00851.41 O ATOM 12028 C1* U B 616 -891.891 -4.738 66.142 1.00851.41 C ATOM 12029 N1 U B 616 -892.450 -3.412 65.845 1.00851.41 N ATOM 12030 C2 U B 616 -891.554 -2.397 65.605 1.00851.41 C ATOM 12031 O2 U B 616 -890.357 -2.566 65.643 1.00851.41 O ATOM 12032 N3 U B 616 -892.117 -1.178 65.330 1.00851.41 N ATOM 12033 C4 U B 616 -893.468 -0.876 65.298 1.00851.41 C ATOM 12034 O4 U B 616 -893.823 0.292 65.129 1.00851.41 O ATOM 12035 C5 U B 616 -894.332 -1.987 65.558 1.00851.41 C ATOM 12036 C6 U B 616 -893.806 -3.189 65.814 1.00851.41 C ATOM 12037 P U B 617 -892.859 -6.021 70.587 1.00851.41 P ATOM 12038 O1P U B 617 -893.010 -7.160 71.523 1.00851.41 O ATOM 12039 O2P U B 617 -893.867 -4.929 70.591 1.00851.41 O ATOM 12040 O5* U B 617 -891.422 -5.371 70.829 1.00851.41 O ATOM 12041 C5* U B 617 -890.297 -6.181 71.166 1.00851.41 C ATOM 12042 C4* U B 617 -889.267 -5.373 71.920 1.00851.41 C ATOM 12043 O4* U B 617 -888.863 -4.242 71.115 1.00851.41 O ATOM 12044 C3* U B 617 -889.747 -4.779 73.249 1.00851.41 C ATOM 12045 O3* U B 617 -889.567 -5.671 74.342 1.00851.41 O ATOM 12046 C2* U B 617 -888.869 -3.539 73.399 1.00851.41 C ATOM 12047 O2* U B 617 -887.605 -3.838 73.951 1.00851.41 O ATOM 12048 C1* U B 617 -888.678 -3.108 71.943 1.00851.41 C ATOM 12049 N1 U B 617 -889.577 -2.057 71.456 1.00851.41 N ATOM 12050 C2 U B 617 -889.126 -0.747 71.447 1.00851.41 C ATOM 12051 O2 U B 617 -888.090 -0.381 71.995 1.00851.41 O ATOM 12052 N3 U B 617 -889.957 0.134 70.805 1.00851.41 N ATOM 12053 C4 U B 617 -891.183 -0.139 70.245 1.00851.41 C ATOM 12054 O4 U B 617 -891.706 0.703 69.532 1.00851.41 O ATOM 12055 C5 U B 617 -891.620 -1.490 70.389 1.00851.41 C ATOM 12056 C6 U B 617 -890.822 -2.380 70.968 1.00851.41 C ATOM 12057 P A B 618 -890.325 -5.395 75.731 1.00851.41 P ATOM 12058 O1P A B 618 -889.830 -6.400 76.701 1.00851.41 O ATOM 12059 O2P A B 618 -891.781 -5.295 75.457 1.00851.41 O ATOM 12060 O5* A B 618 -889.799 -3.962 76.185 1.00851.41 O ATOM 12061 C5* A B 618 -888.536 -3.818 76.829 1.00851.41 C ATOM 12062 C4* A B 618 -888.208 -2.355 77.021 1.00851.41 C ATOM 12063 O4* A B 618 -888.288 -1.668 75.744 1.00851.41 O ATOM 12064 C3* A B 618 -889.145 -1.548 77.890 1.00851.41 C ATOM 12065 O3* A B 618 -888.804 -1.731 79.261 1.00851.41 O ATOM 12066 C2* A B 618 -888.901 -0.113 77.440 1.00851.41 C ATOM 12067 O2* A B 618 -887.808 0.485 78.108 1.00851.41 O ATOM 12068 C1* A B 618 -888.571 -0.297 75.961 1.00851.41 C ATOM 12069 N9 A B 618 -889.690 0.083 75.103 1.00851.41 N ATOM 12070 C8 A B 618 -890.906 -0.542 74.984 1.00851.41 C ATOM 12071 N7 A B 618 -891.721 0.046 74.148 1.00851.41 N ATOM 12072 C5 A B 618 -890.994 1.130 73.675 1.00851.41 C ATOM 12073 C6 A B 618 -891.302 2.147 72.756 1.00851.41 C ATOM 12074 N6 A B 618 -892.471 2.243 72.119 1.00851.41 N ATOM 12075 N1 A B 618 -890.351 3.075 72.510 1.00851.41 N ATOM 12076 C2 A B 618 -889.179 2.976 73.148 1.00851.41 C ATOM 12077 N3 A B 618 -888.773 2.068 74.032 1.00851.41 N ATOM 12078 C4 A B 618 -889.739 1.162 74.255 1.00851.41 C ATOM 12079 P A B 619 -889.838 -2.467 80.251 1.00851.41 P ATOM 12080 O1P A B 619 -889.090 -2.836 81.479 1.00851.41 O ATOM 12081 O2P A B 619 -890.546 -3.520 79.477 1.00851.41 O ATOM 12082 O5* A B 619 -890.899 -1.340 80.638 1.00851.41 O ATOM 12083 C5* A B 619 -890.570 0.047 80.564 1.00851.41 C ATOM 12084 C4* A B 619 -891.792 0.851 80.173 1.00851.41 C ATOM 12085 O4* A B 619 -892.655 0.015 79.365 1.00851.41 O ATOM 12086 C3* A B 619 -892.705 1.336 81.302 1.00851.41 C ATOM 12087 O3* A B 619 -892.259 2.541 81.917 1.00851.41 O ATOM 12088 C2* A B 619 -894.042 1.510 80.589 1.00851.41 C ATOM 12089 O2* A B 619 -894.133 2.740 79.898 1.00851.41 O ATOM 12090 C1* A B 619 -894.006 0.361 79.581 1.00851.41 C ATOM 12091 N9 A B 619 -894.694 -0.841 80.058 1.00851.41 N ATOM 12092 C8 A B 619 -894.243 -1.732 81.001 1.00851.41 C ATOM 12093 N7 A B 619 -895.066 -2.721 81.233 1.00851.41 N ATOM 12094 C5 A B 619 -896.139 -2.466 80.390 1.00851.41 C ATOM 12095 C6 A B 619 -897.343 -3.149 80.160 1.00851.41 C ATOM 12096 N6 A B 619 -897.689 -4.275 80.792 1.00851.41 N ATOM 12097 N1 A B 619 -898.196 -2.631 79.250 1.00851.41 N ATOM 12098 C2 A B 619 -897.851 -1.503 78.618 1.00851.41 C ATOM 12099 N3 A B 619 -896.747 -0.768 78.747 1.00851.41 N ATOM 12100 C4 A B 619 -895.921 -1.312 79.658 1.00851.41 C ATOM 12101 P G B 620 -893.125 3.206 83.099 1.00851.41 P ATOM 12102 O1P G B 620 -892.274 4.237 83.744 1.00851.41 O ATOM 12103 O2P G B 620 -893.713 2.120 83.922 1.00851.41 O ATOM 12104 O5* G B 620 -894.311 3.953 82.342 1.00851.41 O ATOM 12105 C5* G B 620 -894.199 5.328 81.976 1.00851.41 C ATOM 12106 C4* G B 620 -895.479 5.800 81.329 1.00851.41 C ATOM 12107 O4* G B 620 -895.507 5.365 79.948 1.00851.41 O ATOM 12108 C3* G B 620 -896.815 5.312 81.865 1.00851.41 C ATOM 12109 O3* G B 620 -897.206 6.013 83.039 1.00851.41 O ATOM 12110 C2* G B 620 -897.764 5.545 80.695 1.00851.41 C ATOM 12111 O2* G B 620 -898.259 6.868 80.650 1.00851.41 O ATOM 12112 C1* G B 620 -896.847 5.300 79.495 1.00851.41 C ATOM 12113 N9 G B 620 -897.045 3.992 78.875 1.00851.41 N ATOM 12114 C8 G B 620 -897.036 2.771 79.504 1.00851.41 C ATOM 12115 N7 G B 620 -897.232 1.773 78.686 1.00851.41 N ATOM 12116 C5 G B 620 -897.379 2.372 77.444 1.00851.41 C ATOM 12117 C6 G B 620 -897.610 1.794 76.168 1.00851.41 C ATOM 12118 O6 G B 620 -897.730 0.598 75.869 1.00851.41 O ATOM 12119 N1 G B 620 -897.700 2.769 75.177 1.00851.41 N ATOM 12120 C2 G B 620 -897.581 4.123 75.388 1.00851.41 C ATOM 12121 N2 G B 620 -897.709 4.904 74.308 1.00851.41 N ATOM 12122 N3 G B 620 -897.358 4.668 76.568 1.00851.41 N ATOM 12123 C4 G B 620 -897.271 3.742 77.547 1.00851.41 C ATOM 12124 P U B 621 -898.362 5.409 83.977 1.00851.41 P ATOM 12125 O1P U B 621 -898.553 6.357 85.105 1.00851.41 O ATOM 12126 O2P U B 621 -898.042 3.987 84.259 1.00851.41 O ATOM 12127 O5* U B 621 -899.667 5.459 83.064 1.00851.41 O ATOM 12128 C5* U B 621 -900.369 6.688 82.870 1.00851.41 C ATOM 12129 C4* U B 621 -901.626 6.462 82.061 1.00851.41 C ATOM 12130 O4* U B 621 -901.281 6.180 80.681 1.00851.41 O ATOM 12131 C3* U B 621 -902.502 5.281 82.445 1.00851.41 C ATOM 12132 O3* U B 621 -903.347 5.562 83.556 1.00851.41 O ATOM 12133 C2* U B 621 -903.308 5.028 81.178 1.00851.41 C ATOM 12134 O2* U B 621 -904.446 5.860 81.080 1.00851.41 O ATOM 12135 C1* U B 621 -902.308 5.409 80.084 1.00851.41 C ATOM 12136 N1 U B 621 -901.710 4.227 79.444 1.00851.41 N ATOM 12137 C2 U B 621 -902.013 4.012 78.115 1.00851.41 C ATOM 12138 O2 U B 621 -902.725 4.763 77.470 1.00851.41 O ATOM 12139 N3 U B 621 -901.457 2.884 77.567 1.00851.41 N ATOM 12140 C4 U B 621 -900.638 1.970 78.200 1.00851.41 C ATOM 12141 O4 U B 621 -900.214 1.003 77.568 1.00851.41 O ATOM 12142 C5 U B 621 -900.360 2.270 79.571 1.00851.41 C ATOM 12143 C6 U B 621 -900.890 3.361 80.134 1.00851.41 C ATOM 12144 P U B 622 -903.752 4.376 84.566 1.00851.41 P ATOM 12145 O1P U B 622 -904.461 4.989 85.717 1.00851.41 O ATOM 12146 O2P U B 622 -902.543 3.549 84.806 1.00851.41 O ATOM 12147 O5* U B 622 -904.795 3.495 83.747 1.00851.41 O ATOM 12148 C5* U B 622 -905.970 4.074 83.182 1.00851.41 C ATOM 12149 C4* U B 622 -906.742 3.030 82.409 1.00851.41 C ATOM 12150 O4* U B 622 -905.898 2.533 81.343 1.00851.41 O ATOM 12151 C3* U B 622 -907.131 1.794 83.192 1.00851.41 C ATOM 12152 O3* U B 622 -908.396 2.002 83.817 1.00851.41 O ATOM 12153 C2* U B 622 -907.224 0.711 82.121 1.00851.41 C ATOM 12154 O2* U B 622 -908.488 0.682 81.485 1.00851.41 O ATOM 12155 C1* U B 622 -906.163 1.164 81.117 1.00851.41 C ATOM 12156 N1 U B 622 -904.889 0.436 81.210 1.00851.41 N ATOM 12157 C2 U B 622 -904.906 -0.931 81.022 1.00851.41 C ATOM 12158 O2 U B 622 -905.932 -1.554 80.801 1.00851.41 O ATOM 12159 N3 U B 622 -903.685 -1.547 81.105 1.00851.41 N ATOM 12160 C4 U B 622 -902.465 -0.942 81.356 1.00851.41 C ATOM 12161 O4 U B 622 -901.443 -1.630 81.385 1.00851.41 O ATOM 12162 C5 U B 622 -902.531 0.475 81.545 1.00851.41 C ATOM 12163 C6 U B 622 -903.711 1.098 81.468 1.00851.41 C ATOM 12164 P G B 623 -908.646 1.481 85.323 1.00851.41 P ATOM 12165 O1P G B 623 -910.107 1.262 85.474 1.00851.41 O ATOM 12166 O2P G B 623 -907.941 2.388 86.259 1.00851.41 O ATOM 12167 O5* G B 623 -907.929 0.057 85.373 1.00851.41 O ATOM 12168 C5* G B 623 -908.466 -1.063 84.678 1.00851.41 C ATOM 12169 C4* G B 623 -907.540 -2.245 84.824 1.00851.41 C ATOM 12170 O4* G B 623 -906.284 -1.940 84.166 1.00851.41 O ATOM 12171 C3* G B 623 -907.077 -2.548 86.230 1.00851.41 C ATOM 12172 O3* G B 623 -908.073 -3.314 86.901 1.00851.41 O ATOM 12173 C2* G B 623 -905.774 -3.317 86.040 1.00851.41 C ATOM 12174 O2* G B 623 -905.976 -4.701 85.847 1.00851.41 O ATOM 12175 C1* G B 623 -905.236 -2.691 84.751 1.00851.41 C ATOM 12176 N9 G B 623 -904.121 -1.782 85.002 1.00851.41 N ATOM 12177 C8 G B 623 -904.151 -0.412 84.945 1.00851.41 C ATOM 12178 N7 G B 623 -903.004 0.139 85.232 1.00851.41 N ATOM 12179 C5 G B 623 -902.164 -0.935 85.493 1.00851.41 C ATOM 12180 C6 G B 623 -900.796 -0.964 85.861 1.00851.41 C ATOM 12181 O6 G B 623 -900.024 -0.013 86.038 1.00851.41 O ATOM 12182 N1 G B 623 -900.338 -2.268 86.025 1.00851.41 N ATOM 12183 C2 G B 623 -901.100 -3.398 85.859 1.00851.41 C ATOM 12184 N2 G B 623 -900.474 -4.567 86.064 1.00851.41 N ATOM 12185 N3 G B 623 -902.376 -3.386 85.520 1.00851.41 N ATOM 12186 C4 G B 623 -902.842 -2.130 85.351 1.00851.41 C ATOM 12187 P A B 624 -907.794 -3.847 88.391 1.00851.41 P ATOM 12188 O1P A B 624 -909.083 -3.821 89.129 1.00851.41 O ATOM 12189 O2P A B 624 -906.624 -3.114 88.933 1.00851.41 O ATOM 12190 O5* A B 624 -907.369 -5.365 88.182 1.00851.41 O ATOM 12191 C5* A B 624 -908.255 -6.438 88.501 1.00851.41 C ATOM 12192 C4* A B 624 -907.679 -7.740 88.003 1.00851.41 C ATOM 12193 O4* A B 624 -908.226 -8.863 88.740 1.00851.41 O ATOM 12194 C3* A B 624 -907.927 -8.095 86.559 1.00851.41 C ATOM 12195 O3* A B 624 -907.019 -7.398 85.714 1.00851.41 O ATOM 12196 C2* A B 624 -907.708 -9.602 86.534 1.00851.41 C ATOM 12197 O2* A B 624 -906.347 -9.953 86.398 1.00851.41 O ATOM 12198 C1* A B 624 -908.211 -10.015 87.919 1.00851.41 C ATOM 12199 N9 A B 624 -909.562 -10.571 87.863 1.00851.41 N ATOM 12200 C8 A B 624 -910.735 -9.965 87.483 1.00851.41 C ATOM 12201 N7 A B 624 -911.779 -10.757 87.537 1.00851.41 N ATOM 12202 C5 A B 624 -911.255 -11.965 87.985 1.00851.41 C ATOM 12203 C6 A B 624 -911.843 -13.215 88.252 1.00851.41 C ATOM 12204 N6 A B 624 -913.136 -13.471 88.105 1.00851.41 N ATOM 12205 N1 A B 624 -911.037 -14.208 88.685 1.00851.41 N ATOM 12206 C2 A B 624 -909.735 -13.955 88.839 1.00851.41 C ATOM 12207 N3 A B 624 -909.066 -12.826 88.623 1.00851.41 N ATOM 12208 C4 A B 624 -909.895 -11.858 88.192 1.00851.41 C ATOM 12209 P A B 625 -907.439 -7.079 84.199 1.00851.41 P ATOM 12210 O1P A B 625 -906.608 -5.945 83.720 1.00851.41 O ATOM 12211 O2P A B 625 -908.920 -6.969 84.156 1.00851.41 O ATOM 12212 O5* A B 625 -907.027 -8.383 83.383 1.00851.41 O ATOM 12213 C5* A B 625 -905.688 -8.880 83.394 1.00851.41 C ATOM 12214 C4* A B 625 -905.446 -9.709 82.156 1.00851.41 C ATOM 12215 O4* A B 625 -906.667 -10.422 81.838 1.00851.41 O ATOM 12216 C3* A B 625 -905.107 -8.921 80.898 1.00851.41 C ATOM 12217 O3* A B 625 -903.701 -8.707 80.826 1.00851.41 O ATOM 12218 C2* A B 625 -905.640 -9.812 79.784 1.00851.41 C ATOM 12219 O2* A B 625 -904.735 -10.836 79.422 1.00851.41 O ATOM 12220 C1* A B 625 -906.880 -10.417 80.442 1.00851.41 C ATOM 12221 N9 A B 625 -908.086 -9.626 80.198 1.00851.41 N ATOM 12222 C8 A B 625 -908.983 -9.195 81.141 1.00851.41 C ATOM 12223 N7 A B 625 -909.960 -8.477 80.653 1.00851.41 N ATOM 12224 C5 A B 625 -909.693 -8.437 79.294 1.00851.41 C ATOM 12225 C6 A B 625 -910.357 -7.822 78.222 1.00851.41 C ATOM 12226 N6 A B 625 -911.466 -7.098 78.365 1.00851.41 N ATOM 12227 N1 A B 625 -909.834 -7.979 76.988 1.00851.41 N ATOM 12228 C2 A B 625 -908.714 -8.702 76.854 1.00851.41 C ATOM 12229 N3 A B 625 -907.998 -9.321 77.784 1.00851.41 N ATOM 12230 C4 A B 625 -908.548 -9.150 78.998 1.00851.41 C ATOM 12231 P A B 626 -903.129 -7.209 80.709 1.00851.41 P ATOM 12232 O1P A B 626 -901.759 -7.205 81.282 1.00851.41 O ATOM 12233 O2P A B 626 -904.153 -6.277 81.246 1.00851.41 O ATOM 12234 O5* A B 626 -903.012 -6.961 79.142 1.00851.41 O ATOM 12235 C5* A B 626 -903.111 -8.037 78.214 1.00851.41 C ATOM 12236 C4* A B 626 -904.363 -7.886 77.390 1.00851.41 C ATOM 12237 O4* A B 626 -905.394 -7.258 78.189 1.00851.41 O ATOM 12238 C3* A B 626 -904.276 -7.028 76.120 1.00851.41 C ATOM 12239 O3* A B 626 -903.792 -7.789 75.018 1.00851.41 O ATOM 12240 C2* A B 626 -905.715 -6.566 75.922 1.00851.41 C ATOM 12241 O2* A B 626 -906.520 -7.420 75.147 1.00851.41 O ATOM 12242 C1* A B 626 -906.231 -6.476 77.360 1.00851.41 C ATOM 12243 N9 A B 626 -906.202 -5.102 77.840 1.00851.41 N ATOM 12244 C8 A B 626 -905.217 -4.461 78.545 1.00851.41 C ATOM 12245 N7 A B 626 -905.477 -3.200 78.789 1.00851.41 N ATOM 12246 C5 A B 626 -906.725 -3.002 78.215 1.00851.41 C ATOM 12247 C6 A B 626 -907.556 -1.875 78.121 1.00851.41 C ATOM 12248 N6 A B 626 -907.238 -0.681 78.621 1.00851.41 N ATOM 12249 N1 A B 626 -908.738 -2.017 77.486 1.00851.41 N ATOM 12250 C2 A B 626 -909.053 -3.215 76.977 1.00851.41 C ATOM 12251 N3 A B 626 -908.352 -4.345 76.994 1.00851.41 N ATOM 12252 C4 A B 626 -907.187 -4.169 77.637 1.00851.41 C ATOM 12253 P A B 627 -902.636 -7.182 74.080 1.00851.41 P ATOM 12254 O1P A B 627 -902.267 -8.226 73.101 1.00851.41 O ATOM 12255 O2P A B 627 -901.592 -6.618 74.970 1.00851.41 O ATOM 12256 O5* A B 627 -903.346 -5.975 73.311 1.00851.41 O ATOM 12257 C5* A B 627 -904.651 -6.128 72.753 1.00851.41 C ATOM 12258 C4* A B 627 -905.386 -4.807 72.777 1.00851.41 C ATOM 12259 O4* A B 627 -905.469 -4.342 74.149 1.00851.41 O ATOM 12260 C3* A B 627 -904.692 -3.699 72.005 1.00851.41 C ATOM 12261 O3* A B 627 -905.169 -3.680 70.660 1.00851.41 O ATOM 12262 C2* A B 627 -905.066 -2.436 72.769 1.00851.41 C ATOM 12263 O2* A B 627 -906.308 -1.900 72.362 1.00851.41 O ATOM 12264 C1* A B 627 -905.181 -2.957 74.205 1.00851.41 C ATOM 12265 N9 A B 627 -903.968 -2.776 75.003 1.00851.41 N ATOM 12266 C8 A B 627 -902.747 -3.387 74.845 1.00851.41 C ATOM 12267 N7 A B 627 -901.858 -3.029 75.739 1.00851.41 N ATOM 12268 C5 A B 627 -902.540 -2.120 76.538 1.00851.41 C ATOM 12269 C6 A B 627 -902.149 -1.378 77.666 1.00851.41 C ATOM 12270 N6 A B 627 -900.935 -1.435 78.216 1.00851.41 N ATOM 12271 N1 A B 627 -903.071 -0.558 78.225 1.00851.41 N ATOM 12272 C2 A B 627 -904.289 -0.501 77.680 1.00851.41 C ATOM 12273 N3 A B 627 -904.772 -1.148 76.622 1.00851.41 N ATOM 12274 C4 A B 627 -903.837 -1.951 76.093 1.00851.41 C ATOM 12275 P A B 628 -904.250 -4.259 69.472 1.00851.41 P ATOM 12276 O1P A B 628 -904.604 -5.688 69.286 1.00851.41 O ATOM 12277 O2P A B 628 -902.837 -3.883 69.738 1.00851.41 O ATOM 12278 O5* A B 628 -904.730 -3.469 68.178 1.00851.41 O ATOM 12279 C5* A B 628 -904.008 -2.335 67.707 1.00851.41 C ATOM 12280 C4* A B 628 -904.658 -1.066 68.194 1.00851.41 C ATOM 12281 O4* A B 628 -904.917 -1.180 69.613 1.00851.41 O ATOM 12282 C3* A B 628 -903.802 0.183 68.059 1.00851.41 C ATOM 12283 O3* A B 628 -903.893 0.755 66.753 1.00851.41 O ATOM 12284 C2* A B 628 -904.352 1.088 69.153 1.00851.41 C ATOM 12285 O2* A B 628 -905.508 1.792 68.745 1.00851.41 O ATOM 12286 C1* A B 628 -904.720 0.072 70.239 1.00851.41 C ATOM 12287 N9 A B 628 -903.664 -0.104 71.235 1.00851.41 N ATOM 12288 C8 A B 628 -902.562 -0.914 71.132 1.00851.41 C ATOM 12289 N7 A B 628 -901.774 -0.867 72.178 1.00851.41 N ATOM 12290 C5 A B 628 -902.400 0.033 73.026 1.00851.41 C ATOM 12291 C6 A B 628 -902.065 0.520 74.301 1.00851.41 C ATOM 12292 N6 A B 628 -900.969 0.156 74.970 1.00851.41 N ATOM 12293 N1 A B 628 -902.906 1.408 74.873 1.00851.41 N ATOM 12294 C2 A B 628 -904.002 1.776 74.201 1.00851.41 C ATOM 12295 N3 A B 628 -904.427 1.393 73.001 1.00851.41 N ATOM 12296 C4 A B 628 -903.570 0.507 72.459 1.00851.41 C ATOM 12297 P C B 629 -902.626 1.523 66.130 1.00851.41 P ATOM 12298 O1P C B 629 -903.118 2.357 65.003 1.00851.41 O ATOM 12299 O2P C B 629 -901.552 0.523 65.887 1.00851.41 O ATOM 12300 O5* C B 629 -902.135 2.496 67.288 1.00851.41 O ATOM 12301 C5* C B 629 -902.919 3.618 67.687 1.00851.41 C ATOM 12302 C4* C B 629 -902.107 4.515 68.583 1.00851.41 C ATOM 12303 O4* C B 629 -902.132 3.955 69.920 1.00851.41 O ATOM 12304 C3* C B 629 -900.610 4.647 68.302 1.00851.41 C ATOM 12305 O3* C B 629 -900.266 5.568 67.270 1.00851.41 O ATOM 12306 C2* C B 629 -900.050 5.084 69.652 1.00851.41 C ATOM 12307 O2* C B 629 -900.164 6.476 69.859 1.00851.41 O ATOM 12308 C1* C B 629 -900.972 4.349 70.626 1.00851.41 C ATOM 12309 N1 C B 629 -900.368 3.148 71.222 1.00851.41 N ATOM 12310 C2 C B 629 -900.084 3.153 72.587 1.00851.41 C ATOM 12311 O2 C B 629 -900.348 4.170 73.241 1.00851.41 O ATOM 12312 N3 C B 629 -899.531 2.059 73.154 1.00851.41 N ATOM 12313 C4 C B 629 -899.265 0.984 72.410 1.00851.41 C ATOM 12314 N4 C B 629 -898.715 -0.076 73.014 1.00851.41 N ATOM 12315 C5 C B 629 -899.545 0.946 71.011 1.00851.41 C ATOM 12316 C6 C B 629 -900.090 2.042 70.465 1.00851.41 C ATOM 12317 P G B 630 -899.254 5.119 66.104 1.00851.41 P ATOM 12318 O1P G B 630 -899.029 6.291 65.225 1.00851.41 O ATOM 12319 O2P G B 630 -899.760 3.848 65.523 1.00851.41 O ATOM 12320 O5* G B 630 -897.891 4.798 66.864 1.00851.41 O ATOM 12321 C5* G B 630 -897.237 5.770 67.682 1.00851.41 C ATOM 12322 C4* G B 630 -896.041 5.140 68.354 1.00851.41 C ATOM 12323 O4* G B 630 -896.514 4.087 69.226 1.00851.41 O ATOM 12324 C3* G B 630 -895.034 4.401 67.495 1.00851.41 C ATOM 12325 O3* G B 630 -894.127 5.333 66.905 1.00851.41 O ATOM 12326 C2* G B 630 -894.349 3.446 68.469 1.00851.41 C ATOM 12327 O2* G B 630 -893.265 4.049 69.145 1.00851.41 O ATOM 12328 C1* G B 630 -895.475 3.156 69.467 1.00851.41 C ATOM 12329 N9 G B 630 -896.067 1.827 69.338 1.00851.41 N ATOM 12330 C8 G B 630 -897.038 1.460 68.437 1.00851.41 C ATOM 12331 N7 G B 630 -897.403 0.214 68.555 1.00851.41 N ATOM 12332 C5 G B 630 -896.627 -0.276 69.594 1.00851.41 C ATOM 12333 C6 G B 630 -896.589 -1.568 70.176 1.00851.41 C ATOM 12334 O6 G B 630 -897.253 -2.567 69.877 1.00851.41 O ATOM 12335 N1 G B 630 -895.655 -1.636 71.203 1.00851.41 N ATOM 12336 C2 G B 630 -894.864 -0.596 71.622 1.00851.41 C ATOM 12337 N2 G B 630 -894.026 -0.871 72.626 1.00851.41 N ATOM 12338 N3 G B 630 -894.890 0.619 71.087 1.00851.41 N ATOM 12339 C4 G B 630 -895.790 0.705 70.086 1.00851.41 C ATOM 12340 P G B 631 -893.691 5.165 65.364 1.00851.41 P ATOM 12341 O1P G B 631 -894.355 6.249 64.597 1.00851.41 O ATOM 12342 O2P G B 631 -893.901 3.752 64.969 1.00851.41 O ATOM 12343 O5* G B 631 -892.123 5.448 65.361 1.00851.41 O ATOM 12344 C5* G B 631 -891.196 4.513 65.908 1.00851.41 C ATOM 12345 C4* G B 631 -890.370 3.912 64.795 1.00851.41 C ATOM 12346 O4* G B 631 -891.250 3.134 63.949 1.00851.41 O ATOM 12347 C3* G B 631 -889.705 4.900 63.850 1.00851.41 C ATOM 12348 O3* G B 631 -888.414 5.243 64.346 1.00851.41 O ATOM 12349 C2* G B 631 -889.577 4.110 62.550 1.00851.41 C ATOM 12350 O2* G B 631 -888.407 3.319 62.511 1.00851.41 O ATOM 12351 C1* G B 631 -890.802 3.191 62.610 1.00851.41 C ATOM 12352 N9 G B 631 -891.922 3.619 61.782 1.00851.41 N ATOM 12353 C8 G B 631 -892.500 4.863 61.742 1.00851.41 C ATOM 12354 N7 G B 631 -893.506 4.936 60.913 1.00851.41 N ATOM 12355 C5 G B 631 -893.593 3.664 60.370 1.00851.41 C ATOM 12356 C6 G B 631 -894.495 3.135 59.410 1.00851.41 C ATOM 12357 O6 G B 631 -895.427 3.703 58.829 1.00851.41 O ATOM 12358 N1 G B 631 -894.226 1.793 59.142 1.00851.41 N ATOM 12359 C2 G B 631 -893.221 1.057 59.723 1.00851.41 C ATOM 12360 N2 G B 631 -893.124 -0.222 59.333 1.00851.41 N ATOM 12361 N3 G B 631 -892.380 1.540 60.619 1.00851.41 N ATOM 12362 C4 G B 631 -892.619 2.839 60.892 1.00851.41 C ATOM 12363 P A B 632 -888.175 6.648 65.089 1.00851.41 P ATOM 12364 O1P A B 632 -889.433 7.028 65.782 1.00851.41 O ATOM 12365 O2P A B 632 -887.559 7.591 64.121 1.00851.41 O ATOM 12366 O5* A B 632 -887.086 6.286 66.198 1.00851.41 O ATOM 12367 C5* A B 632 -887.384 5.331 67.216 1.00851.41 C ATOM 12368 C4* A B 632 -886.114 4.800 67.848 1.00851.41 C ATOM 12369 O4* A B 632 -886.472 3.915 68.941 1.00851.41 O ATOM 12370 C3* A B 632 -885.235 3.939 66.951 1.00851.41 C ATOM 12371 O3* A B 632 -884.359 4.708 66.140 1.00851.41 O ATOM 12372 C2* A B 632 -884.474 3.075 67.949 1.00851.41 C ATOM 12373 O2* A B 632 -883.344 3.735 68.485 1.00851.41 O ATOM 12374 C1* A B 632 -885.519 2.869 69.045 1.00851.41 C ATOM 12375 N9 A B 632 -886.240 1.600 68.911 1.00851.41 N ATOM 12376 C8 A B 632 -885.898 0.362 69.394 1.00851.41 C ATOM 12377 N7 A B 632 -886.778 -0.572 69.123 1.00851.41 N ATOM 12378 C5 A B 632 -887.761 0.097 68.409 1.00851.41 C ATOM 12379 C6 A B 632 -888.979 -0.319 67.845 1.00851.41 C ATOM 12380 N6 A B 632 -889.448 -1.558 67.886 1.00851.41 N ATOM 12381 N1 A B 632 -889.721 0.603 67.219 1.00851.41 N ATOM 12382 C2 A B 632 -889.272 1.857 67.148 1.00851.41 C ATOM 12383 N3 A B 632 -888.156 2.373 67.634 1.00851.41 N ATOM 12384 C4 A B 632 -887.437 1.434 68.264 1.00851.41 C ATOM 12385 P G B 633 -884.435 4.575 64.542 1.00851.41 P ATOM 12386 O1P G B 633 -883.524 5.606 63.994 1.00851.41 O ATOM 12387 O2P G B 633 -885.868 4.598 64.151 1.00851.41 O ATOM 12388 O5* G B 633 -883.860 3.122 64.215 1.00851.41 O ATOM 12389 C5* G B 633 -882.708 2.589 64.883 1.00851.41 C ATOM 12390 C4* G B 633 -882.927 1.130 65.207 1.00851.41 C ATOM 12391 O4* G B 633 -884.170 1.035 65.945 1.00851.41 O ATOM 12392 C3* G B 633 -883.126 0.215 64.024 1.00851.41 C ATOM 12393 O3* G B 633 -881.864 -0.268 63.566 1.00851.41 O ATOM 12394 C2* G B 633 -883.981 -0.909 64.592 1.00851.41 C ATOM 12395 O2* G B 633 -883.216 -1.885 65.269 1.00851.41 O ATOM 12396 C1* G B 633 -884.851 -0.155 65.593 1.00851.41 C ATOM 12397 N9 G B 633 -886.134 0.245 65.021 1.00851.41 N ATOM 12398 C8 G B 633 -886.640 1.516 64.949 1.00851.41 C ATOM 12399 N7 G B 633 -887.818 1.568 64.397 1.00851.41 N ATOM 12400 C5 G B 633 -888.110 0.248 64.087 1.00851.41 C ATOM 12401 C6 G B 633 -889.257 -0.323 63.490 1.00851.41 C ATOM 12402 O6 G B 633 -890.297 0.234 63.132 1.00851.41 O ATOM 12403 N1 G B 633 -889.122 -1.699 63.343 1.00851.41 N ATOM 12404 C2 G B 633 -888.037 -2.436 63.748 1.00851.41 C ATOM 12405 N2 G B 633 -888.107 -3.755 63.531 1.00851.41 N ATOM 12406 N3 G B 633 -886.969 -1.919 64.326 1.00851.41 N ATOM 12407 C4 G B 633 -887.071 -0.579 64.461 1.00851.41 C ATOM 12408 P G B 634 -881.423 -0.025 62.034 1.00851.41 P ATOM 12409 O1P G B 634 -880.241 0.875 62.050 1.00851.41 O ATOM 12410 O2P G B 634 -882.626 0.363 61.258 1.00851.41 O ATOM 12411 O5* G B 634 -880.940 -1.454 61.517 1.00851.41 O ATOM 12412 C5* G B 634 -880.138 -2.305 62.337 1.00851.41 C ATOM 12413 C4* G B 634 -880.773 -3.672 62.458 1.00851.41 C ATOM 12414 O4* G B 634 -882.078 -3.549 63.073 1.00851.41 O ATOM 12415 C3* G B 634 -881.035 -4.361 61.125 1.00851.41 C ATOM 12416 O3* G B 634 -879.893 -5.064 60.649 1.00851.41 O ATOM 12417 C2* G B 634 -882.199 -5.291 61.452 1.00851.41 C ATOM 12418 O2* G B 634 -881.781 -6.506 62.040 1.00851.41 O ATOM 12419 C1* G B 634 -882.982 -4.460 62.469 1.00851.41 C ATOM 12420 N9 G B 634 -884.039 -3.683 61.829 1.00851.41 N ATOM 12421 C8 G B 634 -884.000 -2.346 61.519 1.00851.41 C ATOM 12422 N7 G B 634 -885.082 -1.928 60.921 1.00851.41 N ATOM 12423 C5 G B 634 -885.885 -3.055 60.836 1.00851.41 C ATOM 12424 C6 G B 634 -887.175 -3.217 60.278 1.00851.41 C ATOM 12425 O6 G B 634 -887.885 -2.370 59.721 1.00851.41 O ATOM 12426 N1 G B 634 -887.628 -4.526 60.407 1.00851.41 N ATOM 12427 C2 G B 634 -886.928 -5.550 60.996 1.00851.41 C ATOM 12428 N2 G B 634 -887.540 -6.740 61.028 1.00851.41 N ATOM 12429 N3 G B 634 -885.716 -5.413 61.514 1.00851.41 N ATOM 12430 C4 G B 634 -885.260 -4.147 61.401 1.00851.41 C ATOM 12431 P C B 635 -879.682 -5.255 59.069 1.00851.41 P ATOM 12432 O1P C B 635 -878.240 -5.525 58.844 1.00851.41 O ATOM 12433 O2P C B 635 -880.331 -4.118 58.371 1.00851.41 O ATOM 12434 O5* C B 635 -880.492 -6.585 58.721 1.00851.41 O ATOM 12435 C5* C B 635 -880.378 -7.737 59.547 1.00851.41 C ATOM 12436 C4* C B 635 -881.627 -8.588 59.457 1.00851.41 C ATOM 12437 O4* C B 635 -882.767 -7.817 59.920 1.00851.41 O ATOM 12438 C3* C B 635 -881.976 -9.020 58.057 1.00851.41 C ATOM 12439 O3* C B 635 -881.335 -10.265 57.797 1.00851.41 O ATOM 12440 C2* C B 635 -883.490 -9.191 58.116 1.00851.41 C ATOM 12441 O2* C B 635 -883.876 -10.456 58.616 1.00851.41 O ATOM 12442 C1* C B 635 -883.893 -8.105 59.112 1.00851.41 C ATOM 12443 N1 C B 635 -884.327 -6.872 58.432 1.00851.41 N ATOM 12444 C2 C B 635 -885.632 -6.804 57.947 1.00851.41 C ATOM 12445 O2 C B 635 -886.392 -7.766 58.131 1.00851.41 O ATOM 12446 N3 C B 635 -886.037 -5.694 57.286 1.00851.41 N ATOM 12447 C4 C B 635 -885.189 -4.678 57.112 1.00851.41 C ATOM 12448 N4 C B 635 -885.630 -3.611 56.438 1.00851.41 N ATOM 12449 C5 C B 635 -883.857 -4.714 57.612 1.00851.41 C ATOM 12450 C6 C B 635 -883.469 -5.820 58.265 1.00851.41 C ATOM 12451 P G B 636 -880.917 -10.647 56.289 1.00851.41 P ATOM 12452 O1P G B 636 -880.344 -12.018 56.326 1.00851.41 O ATOM 12453 O2P G B 636 -880.110 -9.531 55.732 1.00851.41 O ATOM 12454 O5* G B 636 -882.295 -10.711 55.491 1.00851.41 O ATOM 12455 C5* G B 636 -882.366 -10.332 54.117 1.00851.41 C ATOM 12456 C4* G B 636 -883.804 -10.296 53.650 1.00851.41 C ATOM 12457 O4* G B 636 -884.558 -9.385 54.491 1.00851.41 O ATOM 12458 C3* G B 636 -884.083 -9.813 52.226 1.00851.41 C ATOM 12459 O3* G B 636 -883.907 -10.828 51.243 1.00851.41 O ATOM 12460 C2* G B 636 -885.529 -9.347 52.316 1.00851.41 C ATOM 12461 O2* G B 636 -886.452 -10.412 52.191 1.00851.41 O ATOM 12462 C1* G B 636 -885.588 -8.774 53.733 1.00851.41 C ATOM 12463 N9 G B 636 -885.379 -7.329 53.763 1.00851.41 N ATOM 12464 C8 G B 636 -884.345 -6.661 54.371 1.00851.41 C ATOM 12465 N7 G B 636 -884.424 -5.363 54.235 1.00851.41 N ATOM 12466 C5 G B 636 -885.581 -5.168 53.493 1.00851.41 C ATOM 12467 C6 G B 636 -886.187 -3.969 53.037 1.00851.41 C ATOM 12468 O6 G B 636 -885.807 -2.802 53.199 1.00851.41 O ATOM 12469 N1 G B 636 -887.351 -4.225 52.321 1.00851.41 N ATOM 12470 C2 G B 636 -887.870 -5.473 52.074 1.00851.41 C ATOM 12471 N2 G B 636 -889.008 -5.512 51.366 1.00851.41 N ATOM 12472 N3 G B 636 -887.316 -6.598 52.496 1.00851.41 N ATOM 12473 C4 G B 636 -886.182 -6.372 53.195 1.00851.41 C ATOM 12474 P G B 637 -883.744 -10.416 49.701 1.00851.41 P ATOM 12475 O1P G B 637 -884.943 -10.909 48.979 1.00851.41 O ATOM 12476 O2P G B 637 -882.391 -10.834 49.247 1.00851.41 O ATOM 12477 O5* G B 637 -883.792 -8.825 49.717 1.00851.41 O ATOM 12478 C5* G B 637 -884.955 -8.118 49.293 1.00851.41 C ATOM 12479 C4* G B 637 -884.742 -6.631 49.443 1.00851.41 C ATOM 12480 O4* G B 637 -883.942 -6.368 50.629 1.00851.41 O ATOM 12481 C3* G B 637 -883.988 -5.939 48.321 1.00851.41 C ATOM 12482 O3* G B 637 -884.842 -5.628 47.233 1.00851.41 O ATOM 12483 C2* G B 637 -883.414 -4.707 49.006 1.00851.41 C ATOM 12484 O2* G B 637 -884.348 -3.650 49.097 1.00851.41 O ATOM 12485 C1* G B 637 -883.101 -5.251 50.400 1.00851.41 C ATOM 12486 N9 G B 637 -881.719 -5.706 50.514 1.00851.41 N ATOM 12487 C8 G B 637 -881.219 -6.918 50.103 1.00851.41 C ATOM 12488 N7 G B 637 -879.938 -7.047 50.325 1.00851.41 N ATOM 12489 C5 G B 637 -879.572 -5.845 50.915 1.00851.41 C ATOM 12490 C6 G B 637 -878.308 -5.400 51.377 1.00851.41 C ATOM 12491 O6 G B 637 -877.221 -5.995 51.352 1.00851.41 O ATOM 12492 N1 G B 637 -878.380 -4.118 51.911 1.00851.41 N ATOM 12493 C2 G B 637 -879.523 -3.361 51.994 1.00851.41 C ATOM 12494 N2 G B 637 -879.388 -2.147 52.547 1.00851.41 N ATOM 12495 N3 G B 637 -880.708 -3.764 51.564 1.00851.41 N ATOM 12496 C4 G B 637 -880.659 -5.006 51.040 1.00851.41 C ATOM 12497 P A B 638 -884.316 -5.850 45.733 1.00851.41 P ATOM 12498 O1P A B 638 -885.476 -5.692 44.817 1.00851.41 O ATOM 12499 O2P A B 638 -883.524 -7.107 45.701 1.00851.41 O ATOM 12500 O5* A B 638 -883.324 -4.631 45.492 1.00851.41 O ATOM 12501 C5* A B 638 -881.974 -4.699 45.930 1.00851.41 C ATOM 12502 C4* A B 638 -881.124 -5.346 44.868 1.00851.41 C ATOM 12503 O4* A B 638 -881.109 -4.513 43.682 1.00851.41 O ATOM 12504 C3* A B 638 -879.638 -5.467 45.156 1.00851.41 C ATOM 12505 O3* A B 638 -879.395 -6.602 45.978 1.00851.41 O ATOM 12506 C2* A B 638 -878.979 -5.579 43.783 1.00851.41 C ATOM 12507 O2* A B 638 -878.871 -6.914 43.341 1.00851.41 O ATOM 12508 C1* A B 638 -879.975 -4.826 42.896 1.00851.41 C ATOM 12509 N9 A B 638 -879.432 -3.573 42.382 1.00851.41 N ATOM 12510 C8 A B 638 -879.615 -2.316 42.896 1.00851.41 C ATOM 12511 N7 A B 638 -878.977 -1.379 42.240 1.00851.41 N ATOM 12512 C5 A B 638 -878.337 -2.068 41.218 1.00851.41 C ATOM 12513 C6 A B 638 -877.495 -1.645 40.179 1.00851.41 C ATOM 12514 N6 A B 638 -877.116 -0.377 40.003 1.00851.41 N ATOM 12515 N1 A B 638 -877.031 -2.581 39.326 1.00851.41 N ATOM 12516 C2 A B 638 -877.387 -3.856 39.518 1.00851.41 C ATOM 12517 N3 A B 638 -878.168 -4.379 40.463 1.00851.41 N ATOM 12518 C4 A B 638 -878.615 -3.420 41.289 1.00851.41 C ATOM 12519 P G B 639 -878.226 -6.556 47.081 1.00851.41 P ATOM 12520 O1P G B 639 -878.488 -7.649 48.055 1.00851.41 O ATOM 12521 O2P G B 639 -878.090 -5.158 47.565 1.00851.41 O ATOM 12522 O5* G B 639 -876.916 -6.932 46.260 1.00851.41 O ATOM 12523 C5* G B 639 -876.934 -7.983 45.301 1.00851.41 C ATOM 12524 C4* G B 639 -875.980 -7.672 44.175 1.00851.41 C ATOM 12525 O4* G B 639 -876.275 -6.346 43.665 1.00851.41 O ATOM 12526 C3* G B 639 -874.521 -7.623 44.558 1.00851.41 C ATOM 12527 O3* G B 639 -873.973 -8.936 44.487 1.00851.41 O ATOM 12528 C2* G B 639 -873.924 -6.671 43.528 1.00851.41 C ATOM 12529 O2* G B 639 -873.641 -7.311 42.302 1.00851.41 O ATOM 12530 C1* G B 639 -875.070 -5.678 43.333 1.00851.41 C ATOM 12531 N9 G B 639 -874.952 -4.521 44.216 1.00851.41 N ATOM 12532 C8 G B 639 -875.327 -4.454 45.536 1.00851.41 C ATOM 12533 N7 G B 639 -875.088 -3.296 46.081 1.00851.41 N ATOM 12534 C5 G B 639 -874.521 -2.546 45.062 1.00851.41 C ATOM 12535 C6 G B 639 -874.053 -1.206 45.059 1.00851.41 C ATOM 12536 O6 G B 639 -874.045 -0.389 45.990 1.00851.41 O ATOM 12537 N1 G B 639 -873.556 -0.842 43.811 1.00851.41 N ATOM 12538 C2 G B 639 -873.514 -1.659 42.710 1.00851.41 C ATOM 12539 N2 G B 639 -872.999 -1.118 41.597 1.00851.41 N ATOM 12540 N3 G B 639 -873.945 -2.912 42.699 1.00851.41 N ATOM 12541 C4 G B 639 -874.432 -3.287 43.901 1.00851.41 C ATOM 12542 P C B 640 -872.683 -9.306 45.371 1.00851.41 P ATOM 12543 O1P C B 640 -872.439 -10.764 45.218 1.00851.41 O ATOM 12544 O2P C B 640 -872.860 -8.730 46.728 1.00851.41 O ATOM 12545 O5* C B 640 -871.496 -8.525 44.648 1.00851.41 O ATOM 12546 C5* C B 640 -871.157 -8.812 43.294 1.00851.41 C ATOM 12547 C4* C B 640 -870.270 -7.727 42.737 1.00851.41 C ATOM 12548 O4* C B 640 -870.955 -6.448 42.792 1.00851.41 O ATOM 12549 C3* C B 640 -868.979 -7.489 43.487 1.00851.41 C ATOM 12550 O3* C B 640 -867.983 -8.410 43.058 1.00851.41 O ATOM 12551 C2* C B 640 -868.628 -6.049 43.124 1.00851.41 C ATOM 12552 O2* C B 640 -867.961 -5.955 41.881 1.00851.41 O ATOM 12553 C1* C B 640 -870.014 -5.410 43.014 1.00851.41 C ATOM 12554 N1 C B 640 -870.401 -4.687 44.237 1.00851.41 N ATOM 12555 C2 C B 640 -869.950 -3.376 44.423 1.00851.41 C ATOM 12556 O2 C B 640 -869.241 -2.851 43.548 1.00851.41 O ATOM 12557 N3 C B 640 -870.297 -2.705 45.545 1.00851.41 N ATOM 12558 C4 C B 640 -871.062 -3.301 46.462 1.00851.41 C ATOM 12559 N4 C B 640 -871.383 -2.606 47.555 1.00851.41 N ATOM 12560 C5 C B 640 -871.536 -4.635 46.302 1.00851.41 C ATOM 12561 C6 C B 640 -871.185 -5.288 45.184 1.00851.41 C ATOM 12562 P G B 641 -866.812 -8.830 44.070 1.00851.41 P ATOM 12563 O1P G B 641 -865.902 -9.747 43.337 1.00851.41 O ATOM 12564 O2P G B 641 -867.428 -9.275 45.347 1.00851.41 O ATOM 12565 O5* G B 641 -866.034 -7.465 44.330 1.00851.41 O ATOM 12566 C5* G B 641 -865.294 -6.849 43.282 1.00851.41 C ATOM 12567 C4* G B 641 -864.974 -5.415 43.629 1.00851.41 C ATOM 12568 O4* G B 641 -866.177 -4.658 43.900 1.00851.41 O ATOM 12569 C3* G B 641 -864.075 -5.228 44.847 1.00851.41 C ATOM 12570 O3* G B 641 -862.700 -5.358 44.516 1.00851.41 O ATOM 12571 C2* G B 641 -864.420 -3.801 45.273 1.00851.41 C ATOM 12572 O2* G B 641 -863.699 -2.831 44.542 1.00851.41 O ATOM 12573 C1* G B 641 -865.904 -3.703 44.911 1.00851.41 C ATOM 12574 N9 G B 641 -866.803 -3.925 46.040 1.00851.41 N ATOM 12575 C8 G B 641 -867.408 -5.098 46.421 1.00851.41 C ATOM 12576 N7 G B 641 -868.149 -4.967 47.487 1.00851.41 N ATOM 12577 C5 G B 641 -868.024 -3.629 47.830 1.00851.41 C ATOM 12578 C6 G B 641 -868.602 -2.895 48.902 1.00851.41 C ATOM 12579 O6 G B 641 -869.357 -3.296 49.796 1.00851.41 O ATOM 12580 N1 G B 641 -868.213 -1.558 48.871 1.00851.41 N ATOM 12581 C2 G B 641 -867.381 -0.998 47.932 1.00851.41 C ATOM 12582 N2 G B 641 -867.127 0.312 48.072 1.00851.41 N ATOM 12583 N3 G B 641 -866.840 -1.670 46.934 1.00851.41 N ATOM 12584 C4 G B 641 -867.202 -2.969 46.945 1.00851.41 C ATOM 12585 P A B 642 -861.674 -5.917 45.615 1.00851.41 P ATOM 12586 O1P A B 642 -860.365 -5.251 45.391 1.00851.41 O ATOM 12587 O2P A B 642 -861.747 -7.399 45.618 1.00851.41 O ATOM 12588 O5* A B 642 -862.272 -5.377 46.987 1.00851.41 O ATOM 12589 C5* A B 642 -862.386 -6.227 48.122 1.00851.41 C ATOM 12590 C4* A B 642 -861.918 -5.499 49.360 1.00851.41 C ATOM 12591 O4* A B 642 -860.533 -5.103 49.206 1.00851.41 O ATOM 12592 C3* A B 642 -862.681 -4.225 49.724 1.00851.41 C ATOM 12593 O3* A B 642 -863.849 -4.487 50.496 1.00851.41 O ATOM 12594 C2* A B 642 -861.638 -3.436 50.515 1.00851.41 C ATOM 12595 O2* A B 642 -861.595 -3.804 51.878 1.00851.41 O ATOM 12596 C1* A B 642 -860.330 -3.858 49.840 1.00851.41 C ATOM 12597 N9 A B 642 -859.786 -2.907 48.868 1.00851.41 N ATOM 12598 C8 A B 642 -859.718 -3.022 47.501 1.00851.41 C ATOM 12599 N7 A B 642 -859.144 -1.998 46.911 1.00851.41 N ATOM 12600 C5 A B 642 -858.818 -1.151 47.964 1.00851.41 C ATOM 12601 C6 A B 642 -858.184 0.107 48.007 1.00851.41 C ATOM 12602 N6 A B 642 -857.742 0.753 46.925 1.00851.41 N ATOM 12603 N1 A B 642 -858.016 0.681 49.218 1.00851.41 N ATOM 12604 C2 A B 642 -858.452 0.031 50.302 1.00851.41 C ATOM 12605 N3 A B 642 -859.058 -1.152 50.389 1.00851.41 N ATOM 12606 C4 A B 642 -859.212 -1.696 49.171 1.00851.41 C ATOM 12607 P A B 643 -865.307 -4.279 49.844 1.00851.41 P ATOM 12608 O1P A B 643 -866.272 -5.025 50.693 1.00851.41 O ATOM 12609 O2P A B 643 -865.220 -4.584 48.394 1.00851.41 O ATOM 12610 O5* A B 643 -865.598 -2.720 50.017 1.00851.41 O ATOM 12611 C5* A B 643 -865.659 -2.129 51.312 1.00851.41 C ATOM 12612 C4* A B 643 -864.839 -0.861 51.344 1.00851.41 C ATOM 12613 O4* A B 643 -863.599 -1.098 50.626 1.00851.41 O ATOM 12614 C3* A B 643 -865.435 0.363 50.671 1.00851.41 C ATOM 12615 O3* A B 643 -866.286 1.049 51.581 1.00851.41 O ATOM 12616 C2* A B 643 -864.203 1.183 50.311 1.00851.41 C ATOM 12617 O2* A B 643 -863.718 1.940 51.400 1.00851.41 O ATOM 12618 C1* A B 643 -863.196 0.087 49.961 1.00851.41 C ATOM 12619 N9 A B 643 -863.175 -0.195 48.528 1.00851.41 N ATOM 12620 C8 A B 643 -863.926 -1.119 47.847 1.00851.41 C ATOM 12621 N7 A B 643 -863.701 -1.136 46.556 1.00851.41 N ATOM 12622 C5 A B 643 -862.736 -0.159 46.374 1.00851.41 C ATOM 12623 C6 A B 643 -862.072 0.312 45.227 1.00851.41 C ATOM 12624 N6 A B 643 -862.295 -0.157 43.999 1.00851.41 N ATOM 12625 N1 A B 643 -861.163 1.299 45.390 1.00851.41 N ATOM 12626 C2 A B 643 -860.942 1.768 46.624 1.00851.41 C ATOM 12627 N3 A B 643 -861.498 1.409 47.778 1.00851.41 N ATOM 12628 C4 A B 643 -862.398 0.428 47.581 1.00851.41 C ATOM 12629 P A B 644 -867.375 2.095 51.021 1.00851.41 P ATOM 12630 O1P A B 644 -867.929 2.813 52.197 1.00851.41 O ATOM 12631 O2P A B 644 -868.294 1.383 50.100 1.00851.41 O ATOM 12632 O5* A B 644 -866.519 3.145 50.175 1.00851.41 O ATOM 12633 C5* A B 644 -865.781 4.168 50.832 1.00851.41 C ATOM 12634 C4* A B 644 -864.867 4.883 49.860 1.00851.41 C ATOM 12635 O4* A B 644 -864.040 3.932 49.140 1.00851.41 O ATOM 12636 C3* A B 644 -865.539 5.718 48.783 1.00851.41 C ATOM 12637 O3* A B 644 -865.875 7.013 49.270 1.00851.41 O ATOM 12638 C2* A B 644 -864.457 5.794 47.712 1.00851.41 C ATOM 12639 O2* A B 644 -863.505 6.808 47.967 1.00851.41 O ATOM 12640 C1* A B 644 -863.787 4.425 47.834 1.00851.41 C ATOM 12641 N9 A B 644 -864.305 3.471 46.852 1.00851.41 N ATOM 12642 C8 A B 644 -865.088 2.363 47.063 1.00851.41 C ATOM 12643 N7 A B 644 -865.400 1.721 45.962 1.00851.41 N ATOM 12644 C5 A B 644 -864.777 2.456 44.959 1.00851.41 C ATOM 12645 C6 A B 644 -864.721 2.296 43.562 1.00851.41 C ATOM 12646 N6 A B 644 -865.331 1.310 42.906 1.00851.41 N ATOM 12647 N1 A B 644 -864.010 3.202 42.856 1.00851.41 N ATOM 12648 C2 A B 644 -863.403 4.198 43.517 1.00851.41 C ATOM 12649 N3 A B 644 -863.379 4.448 44.823 1.00851.41 N ATOM 12650 C4 A B 644 -864.096 3.531 45.496 1.00851.41 C ATOM 12651 P G B 645 -867.397 7.529 49.185 1.00851.41 P ATOM 12652 O1P G B 645 -867.373 9.005 49.369 1.00851.41 O ATOM 12653 O2P G B 645 -868.222 6.692 50.089 1.00851.41 O ATOM 12654 O5* G B 645 -867.838 7.227 47.682 1.00851.41 O ATOM 12655 C5* G B 645 -867.194 7.875 46.588 1.00851.41 C ATOM 12656 C4* G B 645 -867.043 6.926 45.420 1.00851.41 C ATOM 12657 O4* G B 645 -866.719 5.596 45.912 1.00851.41 O ATOM 12658 C3* G B 645 -868.267 6.708 44.542 1.00851.41 C ATOM 12659 O3* G B 645 -868.417 7.729 43.564 1.00851.41 O ATOM 12660 C2* G B 645 -867.984 5.352 43.912 1.00851.41 C ATOM 12661 O2* G B 645 -867.112 5.437 42.803 1.00851.41 O ATOM 12662 C1* G B 645 -867.283 4.615 45.056 1.00851.41 C ATOM 12663 N9 G B 645 -868.231 3.813 45.826 1.00851.41 N ATOM 12664 C8 G B 645 -869.068 4.254 46.821 1.00851.41 C ATOM 12665 N7 G B 645 -869.835 3.308 47.297 1.00851.41 N ATOM 12666 C5 G B 645 -869.474 2.175 46.578 1.00851.41 C ATOM 12667 C6 G B 645 -869.969 0.850 46.650 1.00851.41 C ATOM 12668 O6 G B 645 -870.863 0.396 47.378 1.00851.41 O ATOM 12669 N1 G B 645 -869.321 0.013 45.749 1.00851.41 N ATOM 12670 C2 G B 645 -868.329 0.398 44.883 1.00851.41 C ATOM 12671 N2 G B 645 -867.827 -0.565 44.095 1.00851.41 N ATOM 12672 N3 G B 645 -867.864 1.638 44.802 1.00851.41 N ATOM 12673 C4 G B 645 -868.477 2.468 45.672 1.00851.41 C ATOM 12674 P C B 646 -869.814 7.877 42.779 1.00851.41 P ATOM 12675 O1P C B 646 -869.672 8.999 41.821 1.00851.41 O ATOM 12676 O2P C B 646 -870.912 7.900 43.781 1.00851.41 O ATOM 12677 O5* C B 646 -869.933 6.523 41.943 1.00851.41 O ATOM 12678 C5* C B 646 -869.112 6.299 40.801 1.00851.41 C ATOM 12679 C4* C B 646 -869.166 4.846 40.389 1.00851.41 C ATOM 12680 O4* C B 646 -868.902 4.012 41.551 1.00851.41 O ATOM 12681 C3* C B 646 -870.493 4.347 39.865 1.00851.41 C ATOM 12682 O3* C B 646 -870.618 4.618 38.472 1.00851.41 O ATOM 12683 C2* C B 646 -870.422 2.850 40.139 1.00851.41 C ATOM 12684 O2* C B 646 -869.699 2.153 39.147 1.00851.41 O ATOM 12685 C1* C B 646 -869.650 2.812 41.456 1.00851.41 C ATOM 12686 N1 C B 646 -870.563 2.743 42.609 1.00851.41 N ATOM 12687 C2 C B 646 -871.020 1.490 43.029 1.00851.41 C ATOM 12688 O2 C B 646 -870.618 0.476 42.441 1.00851.41 O ATOM 12689 N3 C B 646 -871.887 1.419 44.062 1.00851.41 N ATOM 12690 C4 C B 646 -872.293 2.534 44.675 1.00851.41 C ATOM 12691 N4 C B 646 -873.158 2.417 45.684 1.00851.41 N ATOM 12692 C5 C B 646 -871.828 3.821 44.275 1.00851.41 C ATOM 12693 C6 C B 646 -870.971 3.879 43.250 1.00851.41 C ATOM 12694 P G B 647 -871.908 5.415 37.938 1.00851.41 P ATOM 12695 O1P G B 647 -871.468 6.281 36.814 1.00851.41 O ATOM 12696 O2P G B 647 -872.591 6.028 39.110 1.00851.41 O ATOM 12697 O5* G B 647 -872.857 4.279 37.350 1.00851.41 O ATOM 12698 C5* G B 647 -872.310 3.111 36.745 1.00851.41 C ATOM 12699 C4* G B 647 -873.084 1.884 37.177 1.00851.41 C ATOM 12700 O4* G B 647 -872.754 1.568 38.555 1.00851.41 O ATOM 12701 C3* G B 647 -874.583 2.092 37.169 1.00851.41 C ATOM 12702 O3* G B 647 -875.127 1.806 35.886 1.00851.41 O ATOM 12703 C2* G B 647 -875.074 1.129 38.243 1.00851.41 C ATOM 12704 O2* G B 647 -875.232 -0.191 37.754 1.00851.41 O ATOM 12705 C1* G B 647 -873.925 1.169 39.246 1.00851.41 C ATOM 12706 N9 G B 647 -874.152 2.135 40.318 1.00851.41 N ATOM 12707 C8 G B 647 -873.720 3.441 40.352 1.00851.41 C ATOM 12708 N7 G B 647 -874.071 4.067 41.439 1.00851.41 N ATOM 12709 C5 G B 647 -874.777 3.120 42.170 1.00851.41 C ATOM 12710 C6 G B 647 -875.394 3.218 43.436 1.00851.41 C ATOM 12711 O6 G B 647 -875.437 4.193 44.198 1.00851.41 O ATOM 12712 N1 G B 647 -876.004 2.023 43.806 1.00851.41 N ATOM 12713 C2 G B 647 -876.014 0.881 43.050 1.00851.41 C ATOM 12714 N2 G B 647 -876.657 -0.170 43.581 1.00851.41 N ATOM 12715 N3 G B 647 -875.435 0.773 41.863 1.00851.41 N ATOM 12716 C4 G B 647 -874.840 1.924 41.488 1.00851.41 C ATOM 12717 P A B 648 -876.346 2.689 35.325 1.00851.41 P ATOM 12718 O1P A B 648 -876.285 2.642 33.843 1.00851.41 O ATOM 12719 O2P A B 648 -876.332 4.001 36.019 1.00851.41 O ATOM 12720 O5* A B 648 -877.641 1.891 35.793 1.00851.41 O ATOM 12721 C5* A B 648 -878.278 0.949 34.933 1.00851.41 C ATOM 12722 C4* A B 648 -878.284 -0.417 35.572 1.00851.41 C ATOM 12723 O4* A B 648 -878.823 -0.330 36.911 1.00851.41 O ATOM 12724 C3* A B 648 -879.100 -1.507 34.862 1.00851.41 C ATOM 12725 O3* A B 648 -878.385 -2.190 33.835 1.00851.41 O ATOM 12726 C2* A B 648 -879.428 -2.461 36.008 1.00851.41 C ATOM 12727 O2* A B 648 -878.398 -3.397 36.253 1.00851.41 O ATOM 12728 C1* A B 648 -879.542 -1.513 37.204 1.00851.41 C ATOM 12729 N9 A B 648 -880.910 -1.157 37.577 1.00851.41 N ATOM 12730 C8 A B 648 -882.055 -1.912 37.494 1.00851.41 C ATOM 12731 N7 A B 648 -883.125 -1.293 37.935 1.00851.41 N ATOM 12732 C5 A B 648 -882.652 -0.048 38.331 1.00851.41 C ATOM 12733 C6 A B 648 -883.290 1.071 38.892 1.00851.41 C ATOM 12734 N6 A B 648 -884.593 1.114 39.180 1.00851.41 N ATOM 12735 N1 A B 648 -882.531 2.157 39.160 1.00851.41 N ATOM 12736 C2 A B 648 -881.221 2.107 38.889 1.00851.41 C ATOM 12737 N3 A B 648 -880.509 1.111 38.371 1.00851.41 N ATOM 12738 C4 A B 648 -881.291 0.051 38.110 1.00851.41 C ATOM 12739 P G B 649 -878.064 -1.442 32.450 1.00851.41 P ATOM 12740 O1P G B 649 -879.222 -0.573 32.123 1.00851.41 O ATOM 12741 O2P G B 649 -877.613 -2.462 31.470 1.00851.41 O ATOM 12742 O5* G B 649 -876.825 -0.510 32.810 1.00851.41 O ATOM 12743 C5* G B 649 -875.521 -1.058 32.993 1.00851.41 C ATOM 12744 C4* G B 649 -875.371 -1.605 34.395 1.00851.41 C ATOM 12745 O4* G B 649 -876.173 -2.807 34.531 1.00851.41 O ATOM 12746 C3* G B 649 -873.966 -2.027 34.785 1.00851.41 C ATOM 12747 O3* G B 649 -873.216 -0.922 35.277 1.00851.41 O ATOM 12748 C2* G B 649 -874.209 -3.091 35.851 1.00851.41 C ATOM 12749 O2* G B 649 -874.429 -2.542 37.136 1.00851.41 O ATOM 12750 C1* G B 649 -875.498 -3.748 35.347 1.00851.41 C ATOM 12751 N9 G B 649 -875.250 -4.938 34.542 1.00851.41 N ATOM 12752 C8 G B 649 -875.816 -5.244 33.326 1.00851.41 C ATOM 12753 N7 G B 649 -875.401 -6.383 32.843 1.00851.41 N ATOM 12754 C5 G B 649 -874.509 -6.859 33.788 1.00851.41 C ATOM 12755 C6 G B 649 -873.740 -8.050 33.810 1.00851.41 C ATOM 12756 O6 G B 649 -873.696 -8.959 32.968 1.00851.41 O ATOM 12757 N1 G B 649 -872.963 -8.136 34.962 1.00851.41 N ATOM 12758 C2 G B 649 -872.931 -7.197 35.964 1.00851.41 C ATOM 12759 N2 G B 649 -872.120 -7.469 36.998 1.00851.41 N ATOM 12760 N3 G B 649 -873.637 -6.081 35.955 1.00851.41 N ATOM 12761 C4 G B 649 -874.402 -5.976 34.847 1.00851.41 C ATOM 12762 P U B 650 -871.630 -0.867 35.024 1.00851.41 P ATOM 12763 O1P U B 650 -871.154 0.460 35.487 1.00851.41 O ATOM 12764 O2P U B 650 -871.365 -1.292 33.629 1.00851.41 O ATOM 12765 O5* U B 650 -871.047 -1.983 36.002 1.00851.41 O ATOM 12766 C5* U B 650 -871.436 -2.042 37.371 1.00851.41 C ATOM 12767 C4* U B 650 -870.750 -3.204 38.049 1.00851.41 C ATOM 12768 O4* U B 650 -871.029 -4.424 37.318 1.00851.41 O ATOM 12769 C3* U B 650 -869.231 -3.130 38.093 1.00851.41 C ATOM 12770 O3* U B 650 -868.812 -2.341 39.206 1.00851.41 O ATOM 12771 C2* U B 650 -868.815 -4.594 38.193 1.00851.41 C ATOM 12772 O2* U B 650 -868.820 -5.065 39.523 1.00851.41 O ATOM 12773 C1* U B 650 -869.919 -5.302 37.391 1.00851.41 C ATOM 12774 N1 U B 650 -869.556 -5.670 36.014 1.00851.41 N ATOM 12775 C2 U B 650 -868.454 -6.507 35.799 1.00851.41 C ATOM 12776 O2 U B 650 -867.754 -6.947 36.690 1.00851.41 O ATOM 12777 N3 U B 650 -868.215 -6.817 34.482 1.00851.41 N ATOM 12778 C4 U B 650 -868.933 -6.395 33.384 1.00851.41 C ATOM 12779 O4 U B 650 -868.609 -6.791 32.267 1.00851.41 O ATOM 12780 C5 U B 650 -870.037 -5.536 33.686 1.00851.41 C ATOM 12781 C6 U B 650 -870.302 -5.210 34.955 1.00851.41 C ATOM 12782 P C B 651 -867.413 -1.550 39.149 1.00851.41 P ATOM 12783 O1P C B 651 -867.384 -0.611 40.298 1.00851.41 O ATOM 12784 O2P C B 651 -867.213 -1.028 37.770 1.00851.41 O ATOM 12785 O5* C B 651 -866.340 -2.690 39.420 1.00851.41 O ATOM 12786 C5* C B 651 -864.983 -2.530 39.033 1.00851.41 C ATOM 12787 C4* C B 651 -864.111 -3.462 39.833 1.00851.41 C ATOM 12788 O4* C B 651 -864.603 -4.820 39.700 1.00851.41 O ATOM 12789 C3* C B 651 -862.652 -3.541 39.406 1.00851.41 C ATOM 12790 O3* C B 651 -861.858 -2.499 39.978 1.00851.41 O ATOM 12791 C2* C B 651 -862.228 -4.918 39.909 1.00851.41 C ATOM 12792 O2* C B 651 -861.820 -4.908 41.262 1.00851.41 O ATOM 12793 C1* C B 651 -863.518 -5.730 39.757 1.00851.41 C ATOM 12794 N1 C B 651 -863.551 -6.573 38.554 1.00851.41 N ATOM 12795 C2 C B 651 -863.634 -7.961 38.706 1.00851.41 C ATOM 12796 O2 C B 651 -863.671 -8.437 39.853 1.00851.41 O ATOM 12797 N3 C B 651 -863.668 -8.751 37.608 1.00851.41 N ATOM 12798 C4 C B 651 -863.627 -8.200 36.392 1.00851.41 C ATOM 12799 N4 C B 651 -863.661 -9.015 35.334 1.00851.41 N ATOM 12800 C5 C B 651 -863.546 -6.788 36.206 1.00851.41 C ATOM 12801 C6 C B 651 -863.508 -6.018 37.304 1.00851.41 C ATOM 12802 P C B 652 -860.626 -1.883 39.145 1.00851.41 P ATOM 12803 O1P C B 652 -859.616 -1.417 40.128 1.00851.41 O ATOM 12804 O2P C B 652 -861.175 -0.924 38.149 1.00851.41 O ATOM 12805 O5* C B 652 -860.019 -3.128 38.356 1.00851.41 O ATOM 12806 C5* C B 652 -859.206 -2.927 37.212 1.00851.41 C ATOM 12807 C4* C B 652 -858.764 -4.239 36.616 1.00851.41 C ATOM 12808 O4* C B 652 -859.949 -4.898 36.109 1.00851.41 O ATOM 12809 C3* C B 652 -857.887 -4.166 35.381 1.00851.41 C ATOM 12810 O3* C B 652 -856.514 -4.024 35.730 1.00851.41 O ATOM 12811 C2* C B 652 -858.148 -5.493 34.673 1.00851.41 C ATOM 12812 O2* C B 652 -857.324 -6.532 35.157 1.00851.41 O ATOM 12813 C1* C B 652 -859.601 -5.780 35.064 1.00851.41 C ATOM 12814 N1 C B 652 -860.581 -5.580 33.983 1.00851.41 N ATOM 12815 C2 C B 652 -861.267 -6.681 33.469 1.00851.41 C ATOM 12816 O2 C B 652 -861.023 -7.809 33.926 1.00851.41 O ATOM 12817 N3 C B 652 -862.183 -6.493 32.489 1.00851.41 N ATOM 12818 C4 C B 652 -862.422 -5.264 32.029 1.00851.41 C ATOM 12819 N4 C B 652 -863.336 -5.119 31.072 1.00851.41 N ATOM 12820 C5 C B 652 -861.728 -4.124 32.529 1.00851.41 C ATOM 12821 C6 C B 652 -860.827 -4.326 33.495 1.00851.41 C ATOM 12822 P G B 653 -855.731 -2.665 35.375 1.00851.41 P ATOM 12823 O1P G B 653 -854.612 -2.539 36.345 1.00851.41 O ATOM 12824 O2P G B 653 -856.723 -1.569 35.250 1.00851.41 O ATOM 12825 O5* G B 653 -855.101 -2.941 33.938 1.00851.41 O ATOM 12826 C5* G B 653 -855.758 -3.782 32.996 1.00851.41 C ATOM 12827 C4* G B 653 -856.475 -2.943 31.968 1.00851.41 C ATOM 12828 O4* G B 653 -857.162 -1.861 32.646 1.00851.41 O ATOM 12829 C3* G B 653 -855.582 -2.239 30.974 1.00851.41 C ATOM 12830 O3* G B 653 -855.274 -3.131 29.910 1.00851.41 O ATOM 12831 C2* G B 653 -856.427 -1.054 30.535 1.00851.41 C ATOM 12832 O2* G B 653 -857.371 -1.398 29.539 1.00851.41 O ATOM 12833 C1* G B 653 -857.145 -0.695 31.837 1.00851.41 C ATOM 12834 N9 G B 653 -856.424 0.341 32.568 1.00851.41 N ATOM 12835 C8 G B 653 -855.227 0.195 33.227 1.00851.41 C ATOM 12836 N7 G B 653 -854.801 1.299 33.774 1.00851.41 N ATOM 12837 C5 G B 653 -855.777 2.235 33.459 1.00851.41 C ATOM 12838 C6 G B 653 -855.861 3.611 33.779 1.00851.41 C ATOM 12839 O6 G B 653 -855.060 4.304 34.423 1.00851.41 O ATOM 12840 N1 G B 653 -857.019 4.186 33.267 1.00851.41 N ATOM 12841 C2 G B 653 -857.974 3.519 32.539 1.00851.41 C ATOM 12842 N2 G B 653 -859.025 4.250 32.135 1.00851.41 N ATOM 12843 N3 G B 653 -857.907 2.235 32.228 1.00851.41 N ATOM 12844 C4 G B 653 -856.789 1.659 32.718 1.00851.41 C ATOM 12845 P A B 654 -853.741 -3.535 29.637 1.00851.41 P ATOM 12846 O1P A B 654 -853.690 -5.000 29.417 1.00851.41 O ATOM 12847 O2P A B 654 -852.914 -2.924 30.711 1.00851.41 O ATOM 12848 O5* A B 654 -853.386 -2.805 28.265 1.00851.41 O ATOM 12849 C5* A B 654 -854.293 -2.824 27.165 1.00851.41 C ATOM 12850 C4* A B 654 -855.345 -1.754 27.339 1.00851.41 C ATOM 12851 O4* A B 654 -854.713 -0.460 27.523 1.00851.41 O ATOM 12852 C3* A B 654 -856.314 -1.545 26.195 1.00851.41 C ATOM 12853 O3* A B 654 -857.385 -2.475 26.316 1.00851.41 O ATOM 12854 C2* A B 654 -856.786 -0.112 26.398 1.00851.41 C ATOM 12855 O2* A B 654 -857.846 -0.013 27.329 1.00851.41 O ATOM 12856 C1* A B 654 -855.533 0.555 26.972 1.00851.41 C ATOM 12857 N9 A B 654 -854.769 1.277 25.957 1.00851.41 N ATOM 12858 C8 A B 654 -854.102 0.765 24.871 1.00851.41 C ATOM 12859 N7 A B 654 -853.522 1.675 24.131 1.00851.41 N ATOM 12860 C5 A B 654 -853.824 2.870 24.768 1.00851.41 C ATOM 12861 C6 A B 654 -853.501 4.207 24.479 1.00851.41 C ATOM 12862 N6 A B 654 -852.774 4.581 23.421 1.00851.41 N ATOM 12863 N1 A B 654 -853.957 5.159 25.320 1.00851.41 N ATOM 12864 C2 A B 654 -854.687 4.786 26.376 1.00851.41 C ATOM 12865 N3 A B 654 -855.054 3.563 26.755 1.00851.41 N ATOM 12866 C4 A B 654 -854.588 2.638 25.899 1.00851.41 C ATOM 12867 P A B 655 -857.442 -3.751 25.338 1.00851.41 P ATOM 12868 O1P A B 655 -856.530 -4.778 25.910 1.00851.41 O ATOM 12869 O2P A B 655 -857.243 -3.291 23.942 1.00851.41 O ATOM 12870 O5* A B 655 -858.936 -4.280 25.495 1.00851.41 O ATOM 12871 C5* A B 655 -859.236 -5.308 26.430 1.00851.41 C ATOM 12872 C4* A B 655 -860.445 -4.931 27.261 1.00851.41 C ATOM 12873 O4* A B 655 -860.090 -3.846 28.164 1.00851.41 O ATOM 12874 C3* A B 655 -861.627 -4.381 26.513 1.00851.41 C ATOM 12875 O3* A B 655 -862.427 -5.417 25.966 1.00851.41 O ATOM 12876 C2* A B 655 -862.386 -3.610 27.587 1.00851.41 C ATOM 12877 O2* A B 655 -863.202 -4.447 28.382 1.00851.41 O ATOM 12878 C1* A B 655 -861.237 -3.055 28.431 1.00851.41 C ATOM 12879 N9 A B 655 -860.968 -1.672 28.044 1.00851.41 N ATOM 12880 C8 A B 655 -860.626 -1.173 26.811 1.00851.41 C ATOM 12881 N7 A B 655 -860.522 0.131 26.779 1.00851.41 N ATOM 12882 C5 A B 655 -860.800 0.523 28.084 1.00851.41 C ATOM 12883 C6 A B 655 -860.864 1.782 28.706 1.00851.41 C ATOM 12884 N6 A B 655 -860.652 2.932 28.065 1.00851.41 N ATOM 12885 N1 A B 655 -861.161 1.817 30.021 1.00851.41 N ATOM 12886 C2 A B 655 -861.386 0.664 30.660 1.00851.41 C ATOM 12887 N3 A B 655 -861.365 -0.582 30.186 1.00851.41 N ATOM 12888 C4 A B 655 -861.062 -0.583 28.876 1.00851.41 C ATOM 12889 P U B 656 -862.731 -5.433 24.389 1.00851.41 P ATOM 12890 O1P U B 656 -861.622 -6.163 23.724 1.00851.41 O ATOM 12891 O2P U B 656 -863.051 -4.043 23.966 1.00851.41 O ATOM 12892 O5* U B 656 -864.056 -6.309 24.252 1.00851.41 O ATOM 12893 C5* U B 656 -864.340 -7.019 23.048 1.00851.41 C ATOM 12894 C4* U B 656 -865.419 -8.053 23.284 1.00851.41 C ATOM 12895 O4* U B 656 -866.700 -7.387 23.458 1.00851.41 O ATOM 12896 C3* U B 656 -865.677 -9.023 22.157 1.00851.41 C ATOM 12897 O3* U B 656 -864.730 -10.075 22.288 1.00851.41 O ATOM 12898 C2* U B 656 -867.105 -9.489 22.413 1.00851.41 C ATOM 12899 O2* U B 656 -867.176 -10.535 23.359 1.00851.41 O ATOM 12900 C1* U B 656 -867.741 -8.226 22.994 1.00851.41 C ATOM 12901 N1 U B 656 -868.516 -7.478 21.991 1.00851.41 N ATOM 12902 C2 U B 656 -869.827 -7.857 21.772 1.00851.41 C ATOM 12903 O2 U B 656 -870.365 -8.766 22.382 1.00851.41 O ATOM 12904 N3 U B 656 -870.488 -7.130 20.811 1.00851.41 N ATOM 12905 C4 U B 656 -869.978 -6.087 20.065 1.00851.41 C ATOM 12906 O4 U B 656 -870.695 -5.538 19.224 1.00851.41 O ATOM 12907 C5 U B 656 -868.620 -5.751 20.355 1.00851.41 C ATOM 12908 C6 U B 656 -867.952 -6.442 21.284 1.00851.41 C ATOM 12909 P A B 657 -864.975 -11.464 21.517 1.00851.41 P ATOM 12910 O1P A B 657 -863.641 -11.996 21.143 1.00851.41 O ATOM 12911 O2P A B 657 -865.997 -11.239 20.463 1.00851.41 O ATOM 12912 O5* A B 657 -865.599 -12.424 22.625 1.00851.41 O ATOM 12913 C5* A B 657 -864.923 -13.613 23.031 1.00851.41 C ATOM 12914 C4* A B 657 -864.538 -13.512 24.488 1.00851.41 C ATOM 12915 O4* A B 657 -864.076 -12.160 24.750 1.00851.41 O ATOM 12916 C3* A B 657 -865.592 -13.647 25.583 1.00851.41 C ATOM 12917 O3* A B 657 -865.971 -15.001 25.801 1.00851.41 O ATOM 12918 C2* A B 657 -864.920 -13.016 26.795 1.00851.41 C ATOM 12919 O2* A B 657 -864.057 -13.917 27.461 1.00851.41 O ATOM 12920 C1* A B 657 -864.099 -11.903 26.143 1.00851.41 C ATOM 12921 N9 A B 657 -864.728 -10.596 26.325 1.00851.41 N ATOM 12922 C8 A B 657 -865.990 -10.238 25.914 1.00851.41 C ATOM 12923 N7 A B 657 -866.314 -9.006 26.211 1.00851.41 N ATOM 12924 C5 A B 657 -865.192 -8.514 26.861 1.00851.41 C ATOM 12925 C6 A B 657 -864.905 -7.262 27.425 1.00851.41 C ATOM 12926 N6 A B 657 -865.761 -6.241 27.418 1.00851.41 N ATOM 12927 N1 A B 657 -863.696 -7.094 28.001 1.00851.41 N ATOM 12928 C2 A B 657 -862.839 -8.124 28.000 1.00851.41 C ATOM 12929 N3 A B 657 -862.993 -9.348 27.504 1.00851.41 N ATOM 12930 C4 A B 657 -864.208 -9.482 26.940 1.00851.41 C ATOM 12931 P G B 658 -867.260 -15.329 26.704 1.00851.41 P ATOM 12932 O1P G B 658 -867.603 -16.756 26.500 1.00851.41 O ATOM 12933 O2P G B 658 -868.284 -14.282 26.444 1.00851.41 O ATOM 12934 O5* G B 658 -866.740 -15.148 28.200 1.00851.41 O ATOM 12935 C5* G B 658 -865.821 -16.077 28.769 1.00851.41 C ATOM 12936 C4* G B 658 -865.285 -15.550 30.081 1.00851.41 C ATOM 12937 O4* G B 658 -864.847 -14.183 29.904 1.00851.41 O ATOM 12938 C3* G B 658 -866.233 -15.405 31.264 1.00851.41 C ATOM 12939 O3* G B 658 -866.361 -16.668 31.912 1.00851.41 O ATOM 12940 C2* G B 658 -865.584 -14.360 32.166 1.00851.41 C ATOM 12941 O2* G B 658 -864.708 -14.933 33.115 1.00851.41 O ATOM 12942 C1* G B 658 -864.769 -13.539 31.163 1.00851.41 C ATOM 12943 N9 G B 658 -865.232 -12.164 30.994 1.00851.41 N ATOM 12944 C8 G B 658 -866.510 -11.752 30.696 1.00851.41 C ATOM 12945 N7 G B 658 -866.615 -10.457 30.581 1.00851.41 N ATOM 12946 C5 G B 658 -865.335 -9.985 30.825 1.00851.41 C ATOM 12947 C6 G B 658 -864.831 -8.660 30.839 1.00851.41 C ATOM 12948 O6 G B 658 -865.433 -7.605 30.621 1.00851.41 O ATOM 12949 N1 G B 658 -863.473 -8.631 31.140 1.00851.41 N ATOM 12950 C2 G B 658 -862.696 -9.738 31.389 1.00851.41 C ATOM 12951 N2 G B 658 -861.406 -9.503 31.665 1.00851.41 N ATOM 12952 N3 G B 658 -863.153 -10.980 31.375 1.00851.41 N ATOM 12953 C4 G B 658 -864.471 -11.029 31.089 1.00851.41 C ATOM 12954 P G B 659 -867.792 -17.139 32.478 1.00851.41 P ATOM 12955 O1P G B 659 -867.861 -18.614 32.315 1.00851.41 O ATOM 12956 O2P G B 659 -868.841 -16.282 31.869 1.00851.41 O ATOM 12957 O5* G B 659 -867.722 -16.819 34.036 1.00851.41 O ATOM 12958 C5* G B 659 -867.567 -17.866 34.992 1.00851.41 C ATOM 12959 C4* G B 659 -867.482 -17.291 36.385 1.00851.41 C ATOM 12960 O4* G B 659 -866.395 -16.334 36.451 1.00851.41 O ATOM 12961 C3* G B 659 -868.701 -16.536 36.874 1.00851.41 C ATOM 12962 O3* G B 659 -869.640 -17.455 37.420 1.00851.41 O ATOM 12963 C2* G B 659 -868.122 -15.587 37.917 1.00851.41 C ATOM 12964 O2* G B 659 -867.970 -16.198 39.184 1.00851.41 O ATOM 12965 C1* G B 659 -866.744 -15.275 37.327 1.00851.41 C ATOM 12966 N9 G B 659 -866.728 -14.035 36.556 1.00851.41 N ATOM 12967 C8 G B 659 -866.958 -13.901 35.210 1.00851.41 C ATOM 12968 N7 G B 659 -866.887 -12.665 34.799 1.00851.41 N ATOM 12969 C5 G B 659 -866.589 -11.937 35.942 1.00851.41 C ATOM 12970 C6 G B 659 -866.396 -10.544 36.118 1.00851.41 C ATOM 12971 O6 G B 659 -866.454 -9.643 35.272 1.00851.41 O ATOM 12972 N1 G B 659 -866.112 -10.233 37.443 1.00851.41 N ATOM 12973 C2 G B 659 -866.028 -11.141 38.470 1.00851.41 C ATOM 12974 N2 G B 659 -865.745 -10.643 39.680 1.00851.41 N ATOM 12975 N3 G B 659 -866.206 -12.445 38.318 1.00851.41 N ATOM 12976 C4 G B 659 -866.482 -12.770 37.035 1.00851.41 C ATOM 12977 P G B 660 -871.210 -17.113 37.365 1.00851.41 P ATOM 12978 O1P G B 660 -871.942 -18.305 37.859 1.00851.41 O ATOM 12979 O2P G B 660 -871.526 -16.559 36.024 1.00851.41 O ATOM 12980 O5* G B 660 -871.384 -15.948 38.436 1.00851.41 O ATOM 12981 C5* G B 660 -871.458 -16.248 39.824 1.00851.41 C ATOM 12982 C4* G B 660 -871.540 -14.979 40.634 1.00851.41 C ATOM 12983 O4* G B 660 -870.441 -14.099 40.278 1.00851.41 O ATOM 12984 C3* G B 660 -872.797 -14.143 40.452 1.00851.41 C ATOM 12985 O3* G B 660 -873.837 -14.598 41.302 1.00851.41 O ATOM 12986 C2* G B 660 -872.325 -12.743 40.824 1.00851.41 C ATOM 12987 O2* G B 660 -872.323 -12.525 42.221 1.00851.41 O ATOM 12988 C1* G B 660 -870.886 -12.756 40.309 1.00851.41 C ATOM 12989 N9 G B 660 -870.779 -12.184 38.970 1.00851.41 N ATOM 12990 C8 G B 660 -871.042 -12.787 37.763 1.00851.41 C ATOM 12991 N7 G B 660 -870.811 -12.008 36.741 1.00851.41 N ATOM 12992 C5 G B 660 -870.370 -10.818 37.313 1.00851.41 C ATOM 12993 C6 G B 660 -869.942 -9.593 36.714 1.00851.41 C ATOM 12994 O6 G B 660 -869.815 -9.308 35.525 1.00851.41 O ATOM 12995 N1 G B 660 -869.611 -8.650 37.673 1.00851.41 N ATOM 12996 C2 G B 660 -869.652 -8.843 39.021 1.00851.41 C ATOM 12997 N2 G B 660 -869.291 -7.799 39.774 1.00851.41 N ATOM 12998 N3 G B 660 -870.019 -9.976 39.592 1.00851.41 N ATOM 12999 C4 G B 660 -870.364 -10.910 38.683 1.00851.41 C ATOM 13000 P C B 661 -875.361 -14.508 40.805 1.00851.41 P ATOM 13001 O1P C B 661 -876.190 -15.158 41.849 1.00851.41 O ATOM 13002 O2P C B 661 -875.424 -14.999 39.404 1.00851.41 O ATOM 13003 O5* C B 661 -875.689 -12.949 40.811 1.00851.41 O ATOM 13004 C5* C B 661 -875.667 -12.212 42.030 1.00851.41 C ATOM 13005 C4* C B 661 -875.778 -10.727 41.764 1.00851.41 C ATOM 13006 O4* C B 661 -874.760 -10.307 40.819 1.00851.41 O ATOM 13007 C3* C B 661 -877.110 -10.278 41.172 1.00851.41 C ATOM 13008 O3* C B 661 -878.070 -9.983 42.180 1.00851.41 O ATOM 13009 C2* C B 661 -876.723 -9.012 40.414 1.00851.41 C ATOM 13010 O2* C B 661 -876.668 -7.875 41.249 1.00851.41 O ATOM 13011 C1* C B 661 -875.305 -9.340 39.941 1.00851.41 C ATOM 13012 N1 C B 661 -875.249 -9.839 38.561 1.00851.41 N ATOM 13013 C2 C B 661 -875.245 -8.906 37.522 1.00851.41 C ATOM 13014 O2 C B 661 -875.308 -7.697 37.804 1.00851.41 O ATOM 13015 N3 C B 661 -875.172 -9.338 36.241 1.00851.41 N ATOM 13016 C4 C B 661 -875.111 -10.644 35.982 1.00851.41 C ATOM 13017 N4 C B 661 -875.028 -11.021 34.703 1.00851.41 N ATOM 13018 C5 C B 661 -875.126 -11.620 37.021 1.00851.41 C ATOM 13019 C6 C B 661 -875.193 -11.178 38.285 1.00851.41 C ATOM 13020 P G B 662 -879.627 -10.294 41.914 1.00851.41 P ATOM 13021 O1P G B 662 -880.291 -10.385 43.236 1.00851.41 O ATOM 13022 O2P G B 662 -879.718 -11.439 40.969 1.00851.41 O ATOM 13023 O5* G B 662 -880.167 -8.992 41.175 1.00851.41 O ATOM 13024 C5* G B 662 -881.064 -8.100 41.835 1.00851.41 C ATOM 13025 C4* G B 662 -881.440 -6.950 40.925 1.00851.41 C ATOM 13026 O4* G B 662 -880.247 -6.355 40.354 1.00851.41 O ATOM 13027 C3* G B 662 -882.311 -7.255 39.728 1.00851.41 C ATOM 13028 O3* G B 662 -883.681 -7.304 40.115 1.00851.41 O ATOM 13029 C2* G B 662 -882.029 -6.091 38.788 1.00851.41 C ATOM 13030 O2* G B 662 -882.811 -4.950 39.082 1.00851.41 O ATOM 13031 C1* G B 662 -880.559 -5.794 39.089 1.00851.41 C ATOM 13032 N9 G B 662 -879.663 -6.367 38.088 1.00851.41 N ATOM 13033 C8 G B 662 -878.609 -7.221 38.307 1.00851.41 C ATOM 13034 N7 G B 662 -878.003 -7.578 37.209 1.00851.41 N ATOM 13035 C5 G B 662 -878.695 -6.918 36.201 1.00851.41 C ATOM 13036 C6 G B 662 -878.499 -6.917 34.795 1.00851.41 C ATOM 13037 O6 G B 662 -877.647 -7.524 34.135 1.00851.41 O ATOM 13038 N1 G B 662 -879.429 -6.109 34.151 1.00851.41 N ATOM 13039 C2 G B 662 -880.417 -5.391 34.773 1.00851.41 C ATOM 13040 N2 G B 662 -881.215 -4.666 33.974 1.00851.41 N ATOM 13041 N3 G B 662 -880.613 -5.383 36.082 1.00851.41 N ATOM 13042 C4 G B 662 -879.721 -6.162 36.731 1.00851.41 C ATOM 13043 P G B 663 -884.541 -8.632 39.823 1.00851.41 P ATOM 13044 O1P G B 663 -885.952 -8.215 39.618 1.00851.41 O ATOM 13045 O2P G B 663 -884.217 -9.633 40.871 1.00851.41 O ATOM 13046 O5* G B 663 -883.970 -9.163 38.434 1.00851.41 O ATOM 13047 C5* G B 663 -884.069 -8.378 37.247 1.00851.41 C ATOM 13048 C4* G B 663 -882.809 -8.506 36.427 1.00851.41 C ATOM 13049 O4* G B 663 -881.712 -8.926 37.277 1.00851.41 O ATOM 13050 C3* G B 663 -882.853 -9.535 35.305 1.00851.41 C ATOM 13051 O3* G B 663 -883.417 -8.966 34.125 1.00851.41 O ATOM 13052 C2* G B 663 -881.381 -9.902 35.121 1.00851.41 C ATOM 13053 O2* G B 663 -880.700 -9.002 34.273 1.00851.41 O ATOM 13054 C1* G B 663 -880.839 -9.769 36.547 1.00851.41 C ATOM 13055 N9 G B 663 -880.717 -11.031 37.265 1.00851.41 N ATOM 13056 C8 G B 663 -881.420 -11.422 38.382 1.00851.41 C ATOM 13057 N7 G B 663 -881.079 -12.606 38.813 1.00851.41 N ATOM 13058 C5 G B 663 -880.098 -13.027 37.928 1.00851.41 C ATOM 13059 C6 G B 663 -879.349 -14.234 37.887 1.00851.41 C ATOM 13060 O6 G B 663 -879.408 -15.202 38.652 1.00851.41 O ATOM 13061 N1 G B 663 -878.458 -14.246 36.816 1.00851.41 N ATOM 13062 C2 G B 663 -878.303 -13.233 35.906 1.00851.41 C ATOM 13063 N2 G B 663 -877.390 -13.434 34.946 1.00851.41 N ATOM 13064 N3 G B 663 -878.993 -12.103 35.935 1.00851.41 N ATOM 13065 C4 G B 663 -879.866 -12.070 36.963 1.00851.41 C ATOM 13066 P C B 664 -884.749 -9.597 33.491 1.00851.41 P ATOM 13067 O1P C B 664 -884.714 -9.323 32.030 1.00851.41 O ATOM 13068 O2P C B 664 -885.912 -9.143 34.293 1.00851.41 O ATOM 13069 O5* C B 664 -884.579 -11.167 33.700 1.00851.41 O ATOM 13070 C5* C B 664 -883.599 -11.900 32.968 1.00851.41 C ATOM 13071 C4* C B 664 -883.379 -13.251 33.604 1.00851.41 C ATOM 13072 O4* C B 664 -882.833 -13.057 34.934 1.00851.41 O ATOM 13073 C3* C B 664 -884.641 -14.065 33.818 1.00851.41 C ATOM 13074 O3* C B 664 -884.953 -14.839 32.664 1.00851.41 O ATOM 13075 C2* C B 664 -884.276 -14.952 35.003 1.00851.41 C ATOM 13076 O2* C B 664 -883.564 -16.110 34.614 1.00851.41 O ATOM 13077 C1* C B 664 -883.355 -14.039 35.812 1.00851.41 C ATOM 13078 N1 C B 664 -884.038 -13.350 36.914 1.00851.41 N ATOM 13079 C2 C B 664 -883.883 -13.839 38.214 1.00851.41 C ATOM 13080 O2 C B 664 -883.166 -14.834 38.397 1.00851.41 O ATOM 13081 N3 C B 664 -884.514 -13.219 39.236 1.00851.41 N ATOM 13082 C4 C B 664 -885.274 -12.146 38.996 1.00851.41 C ATOM 13083 N4 C B 664 -885.879 -11.564 40.036 1.00851.41 N ATOM 13084 C5 C B 664 -885.450 -11.623 37.682 1.00851.41 C ATOM 13085 C6 C B 664 -884.820 -12.250 36.682 1.00851.41 C ATOM 13086 P A B 665 -886.322 -14.570 31.866 1.00851.41 P ATOM 13087 O1P A B 665 -885.949 -14.181 30.481 1.00851.41 O ATOM 13088 O2P A B 665 -887.162 -13.657 32.680 1.00851.41 O ATOM 13089 O5* A B 665 -887.040 -15.990 31.803 1.00851.41 O ATOM 13090 C5* A B 665 -888.427 -16.081 31.492 1.00851.41 C ATOM 13091 C4* A B 665 -888.916 -17.503 31.622 1.00851.41 C ATOM 13092 O4* A B 665 -888.287 -18.345 30.620 1.00851.41 O ATOM 13093 C3* A B 665 -888.653 -18.199 32.957 1.00851.41 C ATOM 13094 O3* A B 665 -889.667 -17.895 33.907 1.00851.41 O ATOM 13095 C2* A B 665 -888.671 -19.675 32.565 1.00851.41 C ATOM 13096 O2* A B 665 -889.980 -20.205 32.503 1.00851.41 O ATOM 13097 C1* A B 665 -888.067 -19.639 31.160 1.00851.41 C ATOM 13098 N9 A B 665 -886.630 -19.906 31.162 1.00851.41 N ATOM 13099 C8 A B 665 -885.647 -19.277 30.441 1.00851.41 C ATOM 13100 N7 A B 665 -884.441 -19.739 30.681 1.00851.41 N ATOM 13101 C5 A B 665 -884.647 -20.743 31.616 1.00851.41 C ATOM 13102 C6 A B 665 -883.768 -21.618 32.277 1.00851.41 C ATOM 13103 N6 A B 665 -882.446 -21.622 32.088 1.00851.41 N ATOM 13104 N1 A B 665 -884.299 -22.501 33.148 1.00851.41 N ATOM 13105 C2 A B 665 -885.625 -22.495 33.341 1.00851.41 C ATOM 13106 N3 A B 665 -886.554 -21.723 32.781 1.00851.41 N ATOM 13107 C4 A B 665 -885.991 -20.858 31.920 1.00851.41 C ATOM 13108 P U B 666 -889.479 -18.336 35.444 1.00851.41 P ATOM 13109 O1P U B 666 -888.428 -19.383 35.490 1.00851.41 O ATOM 13110 O2P U B 666 -890.822 -18.623 36.006 1.00851.41 O ATOM 13111 O5* U B 666 -888.912 -17.036 36.167 1.00851.41 O ATOM 13112 C5* U B 666 -887.513 -16.844 36.357 1.00851.41 C ATOM 13113 C4* U B 666 -887.268 -15.970 37.567 1.00851.41 C ATOM 13114 O4* U B 666 -887.809 -14.651 37.300 1.00851.41 O ATOM 13115 C3* U B 666 -887.921 -16.282 38.912 1.00851.41 C ATOM 13116 O3* U B 666 -887.215 -17.300 39.613 1.00851.41 O ATOM 13117 C2* U B 666 -887.868 -14.952 39.658 1.00851.41 C ATOM 13118 O2* U B 666 -886.638 -14.756 40.329 1.00851.41 O ATOM 13119 C1* U B 666 -887.990 -13.947 38.513 1.00851.41 C ATOM 13120 N1 U B 666 -889.315 -13.309 38.481 1.00851.41 N ATOM 13121 C2 U B 666 -889.381 -11.952 38.719 1.00851.41 C ATOM 13122 O2 U B 666 -888.394 -11.264 38.926 1.00851.41 O ATOM 13123 N3 U B 666 -890.648 -11.420 38.700 1.00851.41 N ATOM 13124 C4 U B 666 -891.828 -12.099 38.467 1.00851.41 C ATOM 13125 O4 U B 666 -892.897 -11.485 38.511 1.00851.41 O ATOM 13126 C5 U B 666 -891.674 -13.498 38.220 1.00851.41 C ATOM 13127 C6 U B 666 -890.451 -14.041 38.232 1.00851.41 C ATOM 13128 P U B 667 -887.937 -18.087 40.816 1.00851.41 P ATOM 13129 O1P U B 667 -886.913 -18.953 41.451 1.00851.41 O ATOM 13130 O2P U B 667 -889.189 -18.692 40.294 1.00851.41 O ATOM 13131 O5* U B 667 -888.324 -16.946 41.861 1.00851.41 O ATOM 13132 C5* U B 667 -888.826 -17.277 43.156 1.00851.41 C ATOM 13133 C4* U B 667 -889.908 -16.300 43.560 1.00851.41 C ATOM 13134 O4* U B 667 -890.639 -16.817 44.703 1.00851.41 O ATOM 13135 C3* U B 667 -889.453 -14.906 43.972 1.00851.41 C ATOM 13136 O3* U B 667 -889.282 -14.050 42.850 1.00851.41 O ATOM 13137 C2* U B 667 -890.597 -14.434 44.865 1.00851.41 C ATOM 13138 O2* U B 667 -891.670 -13.885 44.129 1.00851.41 O ATOM 13139 C1* U B 667 -891.050 -15.738 45.526 1.00851.41 C ATOM 13140 N1 U B 667 -890.505 -15.941 46.879 1.00851.41 N ATOM 13141 C2 U B 667 -890.954 -15.100 47.882 1.00851.41 C ATOM 13142 O2 U B 667 -891.763 -14.210 47.687 1.00851.41 O ATOM 13143 N3 U B 667 -890.417 -15.342 49.121 1.00851.41 N ATOM 13144 C4 U B 667 -889.497 -16.313 49.455 1.00851.41 C ATOM 13145 O4 U B 667 -889.116 -16.413 50.623 1.00851.41 O ATOM 13146 C5 U B 667 -889.081 -17.142 48.363 1.00851.41 C ATOM 13147 C6 U B 667 -889.587 -16.930 47.142 1.00851.41 C ATOM 13148 P A B 668 -888.003 -13.087 42.776 1.00851.41 P ATOM 13149 O1P A B 668 -888.201 -12.176 41.621 1.00851.41 O ATOM 13150 O2P A B 668 -886.779 -13.925 42.845 1.00851.41 O ATOM 13151 O5* A B 668 -888.088 -12.212 44.104 1.00851.41 O ATOM 13152 C5* A B 668 -886.936 -11.539 44.599 1.00851.41 C ATOM 13153 C4* A B 668 -887.283 -10.712 45.815 1.00851.41 C ATOM 13154 O4* A B 668 -888.178 -9.633 45.442 1.00851.41 O ATOM 13155 C3* A B 668 -888.030 -11.365 46.963 1.00851.41 C ATOM 13156 O3* A B 668 -887.104 -12.079 47.774 1.00851.41 O ATOM 13157 C2* A B 668 -888.674 -10.198 47.709 1.00851.41 C ATOM 13158 O2* A B 668 -887.831 -9.654 48.703 1.00851.41 O ATOM 13159 C1* A B 668 -888.865 -9.167 46.592 1.00851.41 C ATOM 13160 N9 A B 668 -890.264 -8.930 46.239 1.00851.41 N ATOM 13161 C8 A B 668 -891.351 -9.740 46.465 1.00851.41 C ATOM 13162 N7 A B 668 -892.481 -9.238 46.024 1.00851.41 N ATOM 13163 C5 A B 668 -892.114 -8.023 45.470 1.00851.41 C ATOM 13164 C6 A B 668 -892.855 -7.010 44.832 1.00851.41 C ATOM 13165 N6 A B 668 -894.175 -7.066 44.640 1.00851.41 N ATOM 13166 N1 A B 668 -892.182 -5.922 44.394 1.00851.41 N ATOM 13167 C2 A B 668 -890.861 -5.866 44.587 1.00851.41 C ATOM 13168 N3 A B 668 -890.054 -6.752 45.170 1.00851.41 N ATOM 13169 C4 A B 668 -890.752 -7.819 45.595 1.00851.41 C ATOM 13170 P G B 669 -887.507 -13.511 48.378 1.00851.41 P ATOM 13171 O1P G B 669 -886.355 -14.012 49.166 1.00851.41 O ATOM 13172 O2P G B 669 -888.060 -14.342 47.277 1.00851.41 O ATOM 13173 O5* G B 669 -888.690 -13.164 49.385 1.00851.41 O ATOM 13174 C5* G B 669 -888.511 -13.251 50.794 1.00851.41 C ATOM 13175 C4* G B 669 -889.138 -12.055 51.464 1.00851.41 C ATOM 13176 O4* G B 669 -890.405 -11.759 50.833 1.00851.41 O ATOM 13177 C3* G B 669 -889.451 -12.234 52.942 1.00851.41 C ATOM 13178 O3* G B 669 -888.311 -11.901 53.731 1.00851.41 O ATOM 13179 C2* G B 669 -890.617 -11.280 53.162 1.00851.41 C ATOM 13180 O2* G B 669 -890.201 -9.953 53.409 1.00851.41 O ATOM 13181 C1* G B 669 -891.340 -11.342 51.807 1.00851.41 C ATOM 13182 N9 G B 669 -892.463 -12.268 51.755 1.00851.41 N ATOM 13183 C8 G B 669 -892.411 -13.592 51.388 1.00851.41 C ATOM 13184 N7 G B 669 -893.578 -14.172 51.397 1.00851.41 N ATOM 13185 C5 G B 669 -894.453 -13.175 51.800 1.00851.41 C ATOM 13186 C6 G B 669 -895.858 -13.212 51.988 1.00851.41 C ATOM 13187 O6 G B 669 -896.630 -14.162 51.825 1.00851.41 O ATOM 13188 N1 G B 669 -896.350 -11.979 52.406 1.00851.41 N ATOM 13189 C2 G B 669 -895.588 -10.855 52.615 1.00851.41 C ATOM 13190 N2 G B 669 -896.251 -9.765 53.025 1.00851.41 N ATOM 13191 N3 G B 669 -894.275 -10.806 52.437 1.00851.41 N ATOM 13192 C4 G B 669 -893.781 -11.995 52.034 1.00851.41 C ATOM 13193 P U B 670 -887.640 -13.014 54.676 1.00851.41 P ATOM 13194 O1P U B 670 -886.179 -12.747 54.703 1.00851.41 O ATOM 13195 O2P U B 670 -888.133 -14.346 54.249 1.00851.41 O ATOM 13196 O5* U B 670 -888.233 -12.701 56.118 1.00851.41 O ATOM 13197 C5* U B 670 -888.242 -11.372 56.639 1.00851.41 C ATOM 13198 C4* U B 670 -889.598 -11.052 57.228 1.00851.41 C ATOM 13199 O4* U B 670 -890.613 -11.183 56.204 1.00851.41 O ATOM 13200 C3* U B 670 -890.037 -11.981 58.342 1.00851.41 C ATOM 13201 O3* U B 670 -889.545 -11.508 59.593 1.00851.41 O ATOM 13202 C2* U B 670 -891.561 -11.917 58.268 1.00851.41 C ATOM 13203 O2* U B 670 -892.100 -10.819 58.973 1.00851.41 O ATOM 13204 C1* U B 670 -891.801 -11.714 56.770 1.00851.41 C ATOM 13205 N1 U B 670 -892.149 -12.944 56.044 1.00851.41 N ATOM 13206 C2 U B 670 -893.438 -13.066 55.528 1.00851.41 C ATOM 13207 O2 U B 670 -894.298 -12.212 55.658 1.00851.41 O ATOM 13208 N3 U B 670 -893.677 -14.236 54.849 1.00851.41 N ATOM 13209 C4 U B 670 -892.786 -15.274 54.639 1.00851.41 C ATOM 13210 O4 U B 670 -893.143 -16.258 53.993 1.00851.41 O ATOM 13211 C5 U B 670 -891.489 -15.073 55.209 1.00851.41 C ATOM 13212 C6 U B 670 -891.222 -13.946 55.874 1.00851.41 C ATOM 13213 P A B 671 -888.799 -12.519 60.591 1.00851.41 P ATOM 13214 O1P A B 671 -887.584 -11.831 61.097 1.00851.41 O ATOM 13215 O2P A B 671 -888.668 -13.838 59.922 1.00851.41 O ATOM 13216 O5* A B 671 -889.816 -12.670 61.805 1.00851.41 O ATOM 13217 C5* A B 671 -890.319 -11.518 62.475 1.00851.41 C ATOM 13218 C4* A B 671 -891.780 -11.696 62.812 1.00851.41 C ATOM 13219 O4* A B 671 -892.559 -11.940 61.613 1.00851.41 O ATOM 13220 C3* A B 671 -892.109 -12.859 63.738 1.00851.41 C ATOM 13221 O3* A B 671 -891.906 -12.537 65.107 1.00851.41 O ATOM 13222 C2* A B 671 -893.572 -13.134 63.410 1.00851.41 C ATOM 13223 O2* A B 671 -894.457 -12.275 64.098 1.00851.41 O ATOM 13224 C1* A B 671 -893.621 -12.831 61.911 1.00851.41 C ATOM 13225 N9 A B 671 -893.483 -14.029 61.083 1.00851.41 N ATOM 13226 C8 A B 671 -892.390 -14.449 60.368 1.00851.41 C ATOM 13227 N7 A B 671 -892.580 -15.581 59.730 1.00851.41 N ATOM 13228 C5 A B 671 -893.884 -15.927 60.051 1.00851.41 C ATOM 13229 C6 A B 671 -894.694 -17.025 59.692 1.00851.41 C ATOM 13230 N6 A B 671 -894.288 -18.021 58.900 1.00851.41 N ATOM 13231 N1 A B 671 -895.949 -17.069 60.186 1.00851.41 N ATOM 13232 C2 A B 671 -896.358 -16.074 60.983 1.00851.41 C ATOM 13233 N3 A B 671 -895.700 -14.993 61.389 1.00851.41 N ATOM 13234 C4 A B 671 -894.453 -14.977 60.881 1.00851.41 C ATOM 13235 P C B 672 -891.404 -13.674 66.121 1.00851.41 P ATOM 13236 O1P C B 672 -891.105 -13.017 67.418 1.00851.41 O ATOM 13237 O2P C B 672 -890.354 -14.476 65.443 1.00851.41 O ATOM 13238 O5* C B 672 -892.694 -14.594 66.310 1.00851.41 O ATOM 13239 C5* C B 672 -893.649 -14.282 67.314 1.00851.41 C ATOM 13240 C4* C B 672 -894.569 -15.459 67.560 1.00851.41 C ATOM 13241 O4* C B 672 -895.396 -15.709 66.395 1.00851.41 O ATOM 13242 C3* C B 672 -893.940 -16.794 67.846 1.00851.41 C ATOM 13243 O3* C B 672 -893.540 -16.864 69.205 1.00851.41 O ATOM 13244 C2* C B 672 -895.062 -17.772 67.525 1.00851.41 C ATOM 13245 O2* C B 672 -895.981 -17.912 68.590 1.00851.41 O ATOM 13246 C1* C B 672 -895.746 -17.084 66.343 1.00851.41 C ATOM 13247 N1 C B 672 -895.266 -17.642 65.069 1.00851.41 N ATOM 13248 C2 C B 672 -895.977 -18.697 64.478 1.00851.41 C ATOM 13249 O2 C B 672 -897.010 -19.110 65.025 1.00851.41 O ATOM 13250 N3 C B 672 -895.515 -19.240 63.330 1.00851.41 N ATOM 13251 C4 C B 672 -894.399 -18.769 62.770 1.00851.41 C ATOM 13252 N4 C B 672 -893.979 -19.342 61.642 1.00851.41 N ATOM 13253 C5 C B 672 -893.666 -17.689 63.343 1.00851.41 C ATOM 13254 C6 C B 672 -894.131 -17.161 64.481 1.00851.41 C ATOM 13255 P G B 673 -892.426 -17.938 69.637 1.00851.41 P ATOM 13256 O1P G B 673 -892.078 -17.685 71.055 1.00851.41 O ATOM 13257 O2P G B 673 -891.354 -17.913 68.608 1.00851.41 O ATOM 13258 O5* G B 673 -893.187 -19.333 69.518 1.00851.41 O ATOM 13259 C5* G B 673 -894.297 -19.628 70.365 1.00851.41 C ATOM 13260 C4* G B 673 -895.000 -20.879 69.904 1.00851.41 C ATOM 13261 O4* G B 673 -895.611 -20.666 68.608 1.00851.41 O ATOM 13262 C3* G B 673 -894.099 -22.088 69.704 1.00851.41 C ATOM 13263 O3* G B 673 -893.836 -22.771 70.922 1.00851.41 O ATOM 13264 C2* G B 673 -894.898 -22.938 68.724 1.00851.41 C ATOM 13265 O2* G B 673 -895.882 -23.725 69.368 1.00851.41 O ATOM 13266 C1* G B 673 -895.579 -21.869 67.863 1.00851.41 C ATOM 13267 N9 G B 673 -894.859 -21.621 66.622 1.00851.41 N ATOM 13268 C8 G B 673 -893.839 -20.722 66.414 1.00851.41 C ATOM 13269 N7 G B 673 -893.379 -20.738 65.196 1.00851.41 N ATOM 13270 C5 G B 673 -894.141 -21.704 64.553 1.00851.41 C ATOM 13271 C6 G B 673 -894.099 -22.172 63.215 1.00851.41 C ATOM 13272 O6 G B 673 -893.352 -21.813 62.300 1.00851.41 O ATOM 13273 N1 G B 673 -895.050 -23.163 62.988 1.00851.41 N ATOM 13274 C2 G B 673 -895.927 -23.644 63.928 1.00851.41 C ATOM 13275 N2 G B 673 -896.771 -24.601 63.510 1.00851.41 N ATOM 13276 N3 G B 673 -895.978 -23.221 65.180 1.00851.41 N ATOM 13277 C4 G B 673 -895.062 -22.257 65.421 1.00851.41 C ATOM 13278 P U B 674 -892.319 -23.084 71.343 1.00851.41 P ATOM 13279 O1P U B 674 -892.201 -22.855 72.805 1.00851.41 O ATOM 13280 O2P U B 674 -891.417 -22.364 70.411 1.00851.41 O ATOM 13281 O5* U B 674 -892.167 -24.645 71.075 1.00851.41 O ATOM 13282 C5* U B 674 -892.867 -25.593 71.874 1.00851.41 C ATOM 13283 C4* U B 674 -893.383 -26.724 71.016 1.00851.41 C ATOM 13284 O4* U B 674 -894.203 -26.192 69.945 1.00851.41 O ATOM 13285 C3* U B 674 -892.311 -27.530 70.315 1.00851.41 C ATOM 13286 O3* U B 674 -891.803 -28.544 71.169 1.00851.41 O ATOM 13287 C2* U B 674 -893.050 -28.104 69.111 1.00851.41 C ATOM 13288 O2* U B 674 -893.781 -29.273 69.426 1.00851.41 O ATOM 13289 C1* U B 674 -894.018 -26.969 68.771 1.00851.41 C ATOM 13290 N1 U B 674 -893.482 -26.094 67.718 1.00851.41 N ATOM 13291 C2 U B 674 -893.986 -26.244 66.442 1.00851.41 C ATOM 13292 O2 U B 674 -894.852 -27.057 66.162 1.00851.41 O ATOM 13293 N3 U B 674 -893.435 -25.412 65.502 1.00851.41 N ATOM 13294 C4 U B 674 -892.455 -24.459 65.707 1.00851.41 C ATOM 13295 O4 U B 674 -892.042 -23.798 64.752 1.00851.41 O ATOM 13296 C5 U B 674 -891.992 -24.360 67.059 1.00851.41 C ATOM 13297 C6 U B 674 -892.513 -25.159 67.994 1.00851.41 C ATOM 13298 P C B 675 -890.229 -28.588 71.491 1.00851.41 P ATOM 13299 O1P C B 675 -889.955 -29.849 72.224 1.00851.41 O ATOM 13300 O2P C B 675 -889.837 -27.288 72.093 1.00851.41 O ATOM 13301 O5* C B 675 -889.559 -28.692 70.051 1.00851.41 O ATOM 13302 C5* C B 675 -889.101 -29.947 69.557 1.00851.41 C ATOM 13303 C4* C B 675 -889.506 -30.127 68.118 1.00851.41 C ATOM 13304 O4* C B 675 -890.453 -29.094 67.725 1.00851.41 O ATOM 13305 C3* C B 675 -888.415 -30.014 67.086 1.00851.41 C ATOM 13306 O3* C B 675 -887.696 -31.220 66.976 1.00851.41 O ATOM 13307 C2* C B 675 -889.178 -29.689 65.812 1.00851.41 C ATOM 13308 O2* C B 675 -889.736 -30.837 65.203 1.00851.41 O ATOM 13309 C1* C B 675 -890.273 -28.774 66.350 1.00851.41 C ATOM 13310 N1 C B 675 -889.805 -27.384 66.246 1.00851.41 N ATOM 13311 C2 C B 675 -890.070 -26.684 65.069 1.00851.41 C ATOM 13312 O2 C B 675 -890.739 -27.233 64.184 1.00851.41 O ATOM 13313 N3 C B 675 -889.589 -25.429 64.919 1.00851.41 N ATOM 13314 C4 C B 675 -888.877 -24.871 65.900 1.00851.41 C ATOM 13315 N4 C B 675 -888.407 -23.636 65.702 1.00851.41 N ATOM 13316 C5 C B 675 -888.614 -25.553 67.125 1.00851.41 C ATOM 13317 C6 C B 675 -889.097 -26.796 67.253 1.00851.41 C ATOM 13318 P G B 676 -886.121 -31.147 66.703 1.00851.41 P ATOM 13319 O1P G B 676 -885.484 -32.166 67.536 1.00851.41 O ATOM 13320 O2P G B 676 -885.693 -29.730 66.818 1.00851.41 O ATOM 13321 O5* G B 676 -885.978 -31.588 65.183 1.00851.41 O ATOM 13322 C5* G B 676 -885.532 -32.895 64.838 1.00851.41 C ATOM 13323 C4* G B 676 -884.305 -32.796 63.979 1.00851.41 C ATOM 13324 O4* G B 676 -884.643 -32.078 62.761 1.00851.41 O ATOM 13325 C3* G B 676 -883.143 -32.030 64.549 1.00851.41 C ATOM 13326 O3* G B 676 -882.398 -32.905 65.391 1.00851.41 O ATOM 13327 C2* G B 676 -882.383 -31.569 63.314 1.00851.41 C ATOM 13328 O2* G B 676 -881.528 -32.570 62.801 1.00851.41 O ATOM 13329 C1* G B 676 -883.531 -31.311 62.331 1.00851.41 C ATOM 13330 N9 G B 676 -883.943 -29.909 62.314 1.00851.41 N ATOM 13331 C8 G B 676 -885.212 -29.424 62.519 1.00851.41 C ATOM 13332 N7 G B 676 -885.275 -28.118 62.476 1.00851.41 N ATOM 13333 C5 G B 676 -883.971 -27.719 62.222 1.00851.41 C ATOM 13334 C6 G B 676 -883.411 -26.411 62.076 1.00851.41 C ATOM 13335 O6 G B 676 -883.973 -25.309 62.154 1.00851.41 O ATOM 13336 N1 G B 676 -882.048 -26.467 61.819 1.00851.41 N ATOM 13337 C2 G B 676 -881.307 -27.622 61.721 1.00851.41 C ATOM 13338 N2 G B 676 -880.003 -27.467 61.470 1.00851.41 N ATOM 13339 N3 G B 676 -881.812 -28.840 61.861 1.00851.41 N ATOM 13340 C4 G B 676 -883.136 -28.814 62.107 1.00851.41 C ATOM 13341 P G B 677 -881.914 -32.395 66.837 1.00851.41 P ATOM 13342 O1P G B 677 -881.989 -33.553 67.764 1.00851.41 O ATOM 13343 O2P G B 677 -882.653 -31.147 67.163 1.00851.41 O ATOM 13344 O5* G B 677 -880.379 -32.029 66.621 1.00851.41 O ATOM 13345 C5* G B 677 -879.556 -32.850 65.804 1.00851.41 C ATOM 13346 C4* G B 677 -878.584 -32.009 65.006 1.00851.41 C ATOM 13347 O4* G B 677 -879.306 -31.166 64.071 1.00851.41 O ATOM 13348 C3* G B 677 -877.769 -31.061 65.881 1.00851.41 C ATOM 13349 O3* G B 677 -876.561 -31.649 66.351 1.00851.41 O ATOM 13350 C2* G B 677 -877.476 -29.904 64.939 1.00851.41 C ATOM 13351 O2* G B 677 -876.355 -30.143 64.109 1.00851.41 O ATOM 13352 C1* G B 677 -878.743 -29.866 64.079 1.00851.41 C ATOM 13353 N9 G B 677 -879.723 -28.916 64.597 1.00851.41 N ATOM 13354 C8 G B 677 -880.933 -29.180 65.193 1.00851.41 C ATOM 13355 N7 G B 677 -881.573 -28.096 65.543 1.00851.41 N ATOM 13356 C5 G B 677 -880.732 -27.060 65.158 1.00851.41 C ATOM 13357 C6 G B 677 -880.884 -25.648 65.273 1.00851.41 C ATOM 13358 O6 G B 677 -881.825 -25.010 65.753 1.00851.41 O ATOM 13359 N1 G B 677 -879.789 -24.974 64.748 1.00851.41 N ATOM 13360 C2 G B 677 -878.685 -25.569 64.185 1.00851.41 C ATOM 13361 N2 G B 677 -877.724 -24.750 63.738 1.00851.41 N ATOM 13362 N3 G B 677 -878.535 -26.876 64.069 1.00851.41 N ATOM 13363 C4 G B 677 -879.588 -27.551 64.573 1.00851.41 C ATOM 13364 P G B 678 -876.417 -31.209 68.435 1.00855.43 P ATOM 13365 O1P G B 678 -875.374 -32.198 68.802 1.00855.43 O ATOM 13366 O2P G B 678 -877.573 -30.984 69.341 1.00855.43 O ATOM 13367 O5* G B 678 -875.703 -29.804 68.193 1.00855.43 O ATOM 13368 C5* G B 678 -874.686 -29.659 67.204 1.00855.43 C ATOM 13369 C4* G B 678 -874.633 -28.231 66.719 1.00855.43 C ATOM 13370 O4* G B 678 -875.939 -27.822 66.241 1.00855.43 O ATOM 13371 C3* G B 678 -874.281 -27.177 67.761 1.00855.43 C ATOM 13372 O3* G B 678 -872.886 -27.084 68.014 1.00855.43 O ATOM 13373 C2* G B 678 -874.859 -25.909 67.150 1.00855.43 C ATOM 13374 O2* G B 678 -874.017 -25.342 66.165 1.00855.43 O ATOM 13375 C1* G B 678 -876.134 -26.437 66.487 1.00855.43 C ATOM 13376 N9 G B 678 -877.298 -26.296 67.356 1.00855.43 N ATOM 13377 C8 G B 678 -878.041 -27.317 67.900 1.00855.43 C ATOM 13378 N7 G B 678 -879.025 -26.896 68.646 1.00855.43 N ATOM 13379 C5 G B 678 -878.928 -25.510 68.596 1.00855.43 C ATOM 13380 C6 G B 678 -879.724 -24.510 69.210 1.00855.43 C ATOM 13381 O6 G B 678 -880.709 -24.650 69.947 1.00855.43 O ATOM 13382 N1 G B 678 -879.278 -23.233 68.896 1.00855.43 N ATOM 13383 C2 G B 678 -878.202 -22.951 68.095 1.00855.43 C ATOM 13384 N2 G B 678 -877.937 -21.649 67.924 1.00855.43 N ATOM 13385 N3 G B 678 -877.449 -23.872 67.510 1.00855.43 N ATOM 13386 C4 G B 678 -877.866 -25.124 67.802 1.00855.43 C ATOM 13387 P C B 679 -872.378 -26.582 69.455 1.00855.43 P ATOM 13388 O1P C B 679 -870.914 -26.350 69.354 1.00855.43 O ATOM 13389 O2P C B 679 -872.899 -27.518 70.481 1.00855.43 O ATOM 13390 O5* C B 679 -873.110 -25.180 69.640 1.00855.43 O ATOM 13391 C5* C B 679 -872.704 -24.046 68.877 1.00855.43 C ATOM 13392 C4* C B 679 -873.298 -22.779 69.444 1.00855.43 C ATOM 13393 O4* C B 679 -874.737 -22.913 69.538 1.00855.43 O ATOM 13394 C3* C B 679 -872.911 -22.474 70.874 1.00855.43 C ATOM 13395 O3* C B 679 -871.648 -21.818 70.901 1.00855.43 O ATOM 13396 C2* C B 679 -874.031 -21.573 71.385 1.00855.43 C ATOM 13397 O2* C B 679 -873.795 -20.206 71.111 1.00855.43 O ATOM 13398 C1* C B 679 -875.227 -22.053 70.558 1.00855.43 C ATOM 13399 N1 C B 679 -876.224 -22.783 71.352 1.00855.43 N ATOM 13400 C2 C B 679 -876.832 -22.127 72.427 1.00855.43 C ATOM 13401 O2 C B 679 -876.508 -20.954 72.672 1.00855.43 O ATOM 13402 N3 C B 679 -877.753 -22.782 73.170 1.00855.43 N ATOM 13403 C4 C B 679 -878.076 -24.043 72.871 1.00855.43 C ATOM 13404 N4 C B 679 -878.993 -24.646 73.632 1.00855.43 N ATOM 13405 C5 C B 679 -877.473 -24.737 71.782 1.00855.43 C ATOM 13406 C6 C B 679 -876.561 -24.076 71.054 1.00855.43 C ATOM 13407 P U B 680 -870.788 -21.807 72.258 1.00855.43 P ATOM 13408 O1P U B 680 -869.417 -21.352 71.910 1.00855.43 O ATOM 13409 O2P U B 680 -870.983 -23.109 72.946 1.00855.43 O ATOM 13410 O5* U B 680 -871.462 -20.668 73.132 1.00855.43 O ATOM 13411 C5* U B 680 -871.109 -19.310 72.937 1.00855.43 C ATOM 13412 C4* U B 680 -871.867 -18.444 73.902 1.00855.43 C ATOM 13413 O4* U B 680 -873.292 -18.620 73.678 1.00855.43 O ATOM 13414 C3* U B 680 -871.701 -18.746 75.376 1.00855.43 C ATOM 13415 O3* U B 680 -870.512 -18.160 75.889 1.00855.43 O ATOM 13416 C2* U B 680 -872.962 -18.147 75.988 1.00855.43 C ATOM 13417 O2* U B 680 -872.847 -16.755 76.208 1.00855.43 O ATOM 13418 C1* U B 680 -873.993 -18.406 74.888 1.00855.43 C ATOM 13419 N1 U B 680 -874.828 -19.583 75.164 1.00855.43 N ATOM 13420 C2 U B 680 -876.134 -19.350 75.543 1.00855.43 C ATOM 13421 O2 U B 680 -876.601 -18.230 75.633 1.00855.43 O ATOM 13422 N3 U B 680 -876.872 -20.474 75.809 1.00855.43 N ATOM 13423 C4 U B 680 -876.449 -21.785 75.737 1.00855.43 C ATOM 13424 O4 U B 680 -877.244 -22.688 76.008 1.00855.43 O ATOM 13425 C5 U B 680 -875.084 -21.947 75.334 1.00855.43 C ATOM 13426 C6 U B 680 -874.337 -20.869 75.068 1.00855.43 C ATOM 13427 P A B 681 -870.100 -18.422 77.420 1.00855.43 P ATOM 13428 O1P A B 681 -870.412 -17.195 78.192 1.00855.43 O ATOM 13429 O2P A B 681 -868.718 -18.969 77.442 1.00855.43 O ATOM 13430 O5* A B 681 -871.095 -19.575 77.890 1.00855.43 O ATOM 13431 C5* A B 681 -870.633 -20.679 78.666 1.00855.43 C ATOM 13432 C4* A B 681 -871.564 -20.915 79.829 1.00855.43 C ATOM 13433 O4* A B 681 -872.936 -20.916 79.368 1.00855.43 O ATOM 13434 C3* A B 681 -871.401 -22.234 80.580 1.00855.43 C ATOM 13435 O3* A B 681 -870.386 -22.171 81.577 1.00855.43 O ATOM 13436 C2* A B 681 -872.775 -22.429 81.209 1.00855.43 C ATOM 13437 O2* A B 681 -872.918 -21.726 82.428 1.00855.43 O ATOM 13438 C1* A B 681 -873.702 -21.804 80.159 1.00855.43 C ATOM 13439 N9 A B 681 -874.352 -22.774 79.278 1.00855.43 N ATOM 13440 C8 A B 681 -873.836 -23.429 78.188 1.00855.43 C ATOM 13441 N7 A B 681 -874.689 -24.233 77.597 1.00855.43 N ATOM 13442 C5 A B 681 -875.846 -24.099 78.353 1.00855.43 C ATOM 13443 C6 A B 681 -877.123 -24.688 78.248 1.00855.43 C ATOM 13444 N6 A B 681 -877.471 -25.559 77.297 1.00855.43 N ATOM 13445 N1 A B 681 -878.047 -24.341 79.169 1.00855.43 N ATOM 13446 C2 A B 681 -877.708 -23.468 80.122 1.00855.43 C ATOM 13447 N3 A B 681 -876.549 -22.845 80.322 1.00855.43 N ATOM 13448 C4 A B 681 -875.652 -23.210 79.395 1.00855.43 C ATOM 13449 P G B 682 -869.289 -23.343 81.680 1.00855.43 P ATOM 13450 O1P G B 682 -868.163 -22.807 82.488 1.00855.43 O ATOM 13451 O2P G B 682 -869.028 -23.863 80.312 1.00855.43 O ATOM 13452 O5* G B 682 -869.992 -24.496 82.527 1.00855.43 O ATOM 13453 C5* G B 682 -869.230 -25.596 83.029 1.00855.43 C ATOM 13454 C4* G B 682 -870.132 -26.757 83.374 1.00855.43 C ATOM 13455 O4* G B 682 -870.708 -26.555 84.684 1.00855.43 O ATOM 13456 C3* G B 682 -871.333 -27.121 82.478 1.00855.43 C ATOM 13457 O3* G B 682 -870.993 -27.897 81.331 1.00855.43 O ATOM 13458 C2* G B 682 -872.221 -27.924 83.428 1.00855.43 C ATOM 13459 O2* G B 682 -871.883 -29.295 83.453 1.00855.43 O ATOM 13460 C1* G B 682 -871.896 -27.308 84.792 1.00855.43 C ATOM 13461 N9 G B 682 -872.915 -26.490 85.437 1.00855.43 N ATOM 13462 C8 G B 682 -872.837 -25.147 85.718 1.00855.43 C ATOM 13463 N7 G B 682 -873.877 -24.698 86.370 1.00855.43 N ATOM 13464 C5 G B 682 -874.699 -25.806 86.510 1.00855.43 C ATOM 13465 C6 G B 682 -875.963 -25.938 87.141 1.00855.43 C ATOM 13466 O6 G B 682 -876.626 -25.074 87.729 1.00855.43 O ATOM 13467 N1 G B 682 -876.450 -27.237 87.045 1.00855.43 N ATOM 13468 C2 G B 682 -875.802 -28.279 86.426 1.00855.43 C ATOM 13469 N2 G B 682 -876.441 -29.458 86.433 1.00855.43 N ATOM 13470 N3 G B 682 -874.621 -28.173 85.841 1.00855.43 N ATOM 13471 C4 G B 682 -874.131 -26.917 85.921 1.00855.43 C ATOM 13472 P A B 683 -871.942 -27.887 80.035 1.00855.43 P ATOM 13473 O1P A B 683 -871.807 -29.221 79.394 1.00855.43 O ATOM 13474 O2P A B 683 -871.651 -26.663 79.247 1.00855.43 O ATOM 13475 O5* A B 683 -873.416 -27.771 80.623 1.00855.43 O ATOM 13476 C5* A B 683 -874.169 -28.934 80.964 1.00855.43 C ATOM 13477 C4* A B 683 -875.623 -28.558 81.156 1.00855.43 C ATOM 13478 O4* A B 683 -875.727 -27.748 82.350 1.00855.43 O ATOM 13479 C3* A B 683 -876.268 -27.729 80.045 1.00855.43 C ATOM 13480 O3* A B 683 -876.891 -28.557 79.061 1.00855.43 O ATOM 13481 C2* A B 683 -877.377 -26.988 80.793 1.00855.43 C ATOM 13482 O2* A B 683 -878.574 -27.728 80.857 1.00855.43 O ATOM 13483 C1* A B 683 -876.806 -26.853 82.206 1.00855.43 C ATOM 13484 N9 A B 683 -876.382 -25.515 82.597 1.00855.43 N ATOM 13485 C8 A B 683 -875.187 -24.880 82.379 1.00855.43 C ATOM 13486 N7 A B 683 -875.133 -23.667 82.870 1.00855.43 N ATOM 13487 C5 A B 683 -876.380 -23.489 83.454 1.00855.43 C ATOM 13488 C6 A B 683 -876.958 -22.411 84.148 1.00855.43 C ATOM 13489 N6 A B 683 -876.329 -21.257 84.384 1.00855.43 N ATOM 13490 N1 A B 683 -878.221 -22.562 84.603 1.00855.43 N ATOM 13491 C2 A B 683 -878.852 -23.719 84.367 1.00855.43 C ATOM 13492 N3 A B 683 -878.415 -24.801 83.729 1.00855.43 N ATOM 13493 C4 A B 683 -877.158 -24.618 83.292 1.00855.43 C ATOM 13494 P C B 684 -876.010 -29.414 78.024 1.00855.43 P ATOM 13495 O1P C B 684 -874.877 -28.588 77.544 1.00855.43 O ATOM 13496 O2P C B 684 -876.944 -30.011 77.037 1.00855.43 O ATOM 13497 O5* C B 684 -875.435 -30.604 78.921 1.00855.43 O ATOM 13498 C5* C B 684 -875.680 -31.963 78.565 1.00855.43 C ATOM 13499 C4* C B 684 -876.248 -32.729 79.740 1.00855.43 C ATOM 13500 O4* C B 684 -876.630 -34.049 79.274 1.00855.43 O ATOM 13501 C3* C B 684 -875.333 -33.010 80.919 1.00855.43 C ATOM 13502 O3* C B 684 -875.300 -31.916 81.829 1.00855.43 O ATOM 13503 C2* C B 684 -875.957 -34.252 81.546 1.00855.43 C ATOM 13504 O2* C B 684 -877.039 -33.944 82.404 1.00855.43 O ATOM 13505 C1* C B 684 -876.479 -34.997 80.314 1.00855.43 C ATOM 13506 N1 C B 684 -875.565 -36.041 79.826 1.00855.43 N ATOM 13507 C2 C B 684 -875.675 -37.341 80.331 1.00855.43 C ATOM 13508 O2 C B 684 -876.530 -37.586 81.193 1.00855.43 O ATOM 13509 N3 C B 684 -874.841 -38.300 79.866 1.00855.43 N ATOM 13510 C4 C B 684 -873.927 -38.001 78.939 1.00855.43 C ATOM 13511 N4 C B 684 -873.126 -38.977 78.514 1.00855.43 N ATOM 13512 C5 C B 684 -873.792 -36.682 78.415 1.00855.43 C ATOM 13513 C6 C B 684 -874.624 -35.745 78.882 1.00855.43 C ATOM 13514 P U B 685 -874.125 -31.822 82.919 1.00855.43 P ATOM 13515 O1P U B 685 -874.236 -30.496 83.572 1.00855.43 O ATOM 13516 O2P U B 685 -872.856 -32.214 82.259 1.00855.43 O ATOM 13517 O5* U B 685 -874.505 -32.937 83.996 1.00855.43 O ATOM 13518 C5* U B 685 -875.383 -32.628 85.075 1.00855.43 C ATOM 13519 C4* U B 685 -875.313 -33.700 86.139 1.00855.43 C ATOM 13520 O4* U B 685 -875.878 -34.940 85.631 1.00855.43 O ATOM 13521 C3* U B 685 -873.948 -34.109 86.672 1.00855.43 C ATOM 13522 O3* U B 685 -873.455 -33.215 87.660 1.00855.43 O ATOM 13523 C2* U B 685 -874.218 -35.494 87.242 1.00855.43 C ATOM 13524 O2* U B 685 -874.790 -35.448 88.538 1.00855.43 O ATOM 13525 C1* U B 685 -875.244 -36.044 86.255 1.00855.43 C ATOM 13526 N1 U B 685 -874.593 -36.859 85.220 1.00855.43 N ATOM 13527 C2 U B 685 -874.322 -38.180 85.523 1.00855.43 C ATOM 13528 O2 U B 685 -874.629 -38.688 86.588 1.00855.43 O ATOM 13529 N3 U B 685 -873.680 -38.883 84.534 1.00855.43 N ATOM 13530 C4 U B 685 -873.295 -38.411 83.298 1.00855.43 C ATOM 13531 O4 U B 685 -872.690 -39.156 82.526 1.00855.43 O ATOM 13532 C5 U B 685 -873.630 -37.040 83.052 1.00855.43 C ATOM 13533 C6 U B 685 -874.250 -36.330 83.999 1.00855.43 C ATOM 13534 P C B 686 -871.869 -33.115 87.903 1.00855.43 P ATOM 13535 O1P C B 686 -871.621 -32.031 88.883 1.00855.43 O ATOM 13536 O2P C B 686 -871.202 -33.070 86.577 1.00855.43 O ATOM 13537 O5* C B 686 -871.513 -34.505 88.596 1.00855.43 O ATOM 13538 C5* C B 686 -872.120 -34.875 89.828 1.00855.43 C ATOM 13539 C4* C B 686 -871.927 -36.352 90.089 1.00855.43 C ATOM 13540 O4* C B 686 -872.496 -37.152 89.021 1.00855.43 O ATOM 13541 C3* C B 686 -870.489 -36.807 90.202 1.00855.43 C ATOM 13542 O3* C B 686 -869.999 -36.572 91.510 1.00855.43 O ATOM 13543 C2* C B 686 -870.578 -38.292 89.866 1.00855.43 C ATOM 13544 O2* C B 686 -870.941 -39.083 90.981 1.00855.43 O ATOM 13545 C1* C B 686 -871.706 -38.318 88.833 1.00855.43 C ATOM 13546 N1 C B 686 -871.205 -38.339 87.449 1.00855.43 N ATOM 13547 C2 C B 686 -871.243 -39.548 86.745 1.00855.43 C ATOM 13548 O2 C B 686 -871.708 -40.552 87.303 1.00855.43 O ATOM 13549 N3 C B 686 -870.775 -39.588 85.475 1.00855.43 N ATOM 13550 C4 C B 686 -870.284 -38.482 84.911 1.00855.43 C ATOM 13551 N4 C B 686 -869.830 -38.569 83.659 1.00855.43 N ATOM 13552 C5 C B 686 -870.238 -37.239 85.607 1.00855.43 C ATOM 13553 C6 C B 686 -870.706 -37.212 86.860 1.00855.43 C ATOM 13554 P G B 687 -868.447 -36.821 91.823 1.00855.43 P ATOM 13555 O1P G B 687 -868.187 -36.376 93.213 1.00855.43 O ATOM 13556 O2P G B 687 -867.646 -36.256 90.707 1.00855.43 O ATOM 13557 O5* G B 687 -868.322 -38.405 91.778 1.00855.43 O ATOM 13558 C5* G B 687 -867.535 -39.089 92.748 1.00855.43 C ATOM 13559 C4* G B 687 -866.316 -39.688 92.102 1.00855.43 C ATOM 13560 O4* G B 687 -866.689 -40.813 91.263 1.00855.43 O ATOM 13561 C3* G B 687 -865.543 -38.780 91.168 1.00855.43 C ATOM 13562 O3* G B 687 -864.707 -37.893 91.897 1.00855.43 O ATOM 13563 C2* G B 687 -864.770 -39.772 90.304 1.00855.43 C ATOM 13564 O2* G B 687 -863.593 -40.237 90.926 1.00855.43 O ATOM 13565 C1* G B 687 -865.772 -40.924 90.188 1.00855.43 C ATOM 13566 N9 G B 687 -866.528 -40.865 88.942 1.00855.43 N ATOM 13567 C8 G B 687 -867.852 -40.529 88.792 1.00855.43 C ATOM 13568 N7 G B 687 -868.241 -40.537 87.548 1.00855.43 N ATOM 13569 C5 G B 687 -867.112 -40.903 86.834 1.00855.43 C ATOM 13570 C6 G B 687 -866.921 -41.070 85.440 1.00855.43 C ATOM 13571 O6 G B 687 -867.742 -40.920 84.528 1.00855.43 O ATOM 13572 N1 G B 687 -865.613 -41.452 85.149 1.00855.43 N ATOM 13573 C2 G B 687 -864.619 -41.642 86.074 1.00855.43 C ATOM 13574 N2 G B 687 -863.423 -42.009 85.596 1.00855.43 N ATOM 13575 N3 G B 687 -864.781 -41.484 87.375 1.00855.43 N ATOM 13576 C4 G B 687 -866.044 -41.115 87.683 1.00855.43 C ATOM 13577 P A B 688 -864.272 -36.495 91.238 1.00855.43 P ATOM 13578 O1P A B 688 -865.171 -35.443 91.779 1.00855.43 O ATOM 13579 O2P A B 688 -864.157 -36.680 89.771 1.00855.43 O ATOM 13580 O5* A B 688 -862.817 -36.259 91.832 1.00855.43 O ATOM 13581 C5* A B 688 -862.487 -36.759 93.120 1.00855.43 C ATOM 13582 C4* A B 688 -861.367 -37.760 93.027 1.00855.43 C ATOM 13583 O4* A B 688 -861.674 -38.772 92.030 1.00855.43 O ATOM 13584 C3* A B 688 -860.023 -37.199 92.611 1.00855.43 C ATOM 13585 O3* A B 688 -859.343 -36.632 93.721 1.00855.43 O ATOM 13586 C2* A B 688 -859.318 -38.427 92.045 1.00855.43 C ATOM 13587 O2* A B 688 -858.778 -39.248 93.060 1.00855.43 O ATOM 13588 C1* A B 688 -860.477 -39.170 91.382 1.00855.43 C ATOM 13589 N9 A B 688 -860.583 -38.847 89.959 1.00855.43 N ATOM 13590 C8 A B 688 -861.702 -38.464 89.261 1.00855.43 C ATOM 13591 N7 A B 688 -861.472 -38.214 87.993 1.00855.43 N ATOM 13592 C5 A B 688 -860.115 -38.455 87.849 1.00855.43 C ATOM 13593 C6 A B 688 -859.249 -38.368 86.742 1.00855.43 C ATOM 13594 N6 A B 688 -859.645 -37.997 85.519 1.00855.43 N ATOM 13595 N1 A B 688 -857.949 -38.679 86.934 1.00855.43 N ATOM 13596 C2 A B 688 -857.555 -39.047 88.157 1.00855.43 C ATOM 13597 N3 A B 688 -858.267 -39.164 89.275 1.00855.43 N ATOM 13598 C4 A B 688 -859.556 -38.851 89.048 1.00855.43 C ATOM 13599 P A B 689 -858.955 -35.075 93.695 1.00855.43 P ATOM 13600 O1P A B 689 -860.107 -34.313 94.240 1.00855.43 O ATOM 13601 O2P A B 689 -858.426 -34.746 92.346 1.00855.43 O ATOM 13602 O5* A B 689 -857.752 -34.989 94.732 1.00855.43 O ATOM 13603 C5* A B 689 -857.798 -35.732 95.945 1.00855.43 C ATOM 13604 C4* A B 689 -856.750 -36.820 95.937 1.00855.43 C ATOM 13605 O4* A B 689 -857.025 -37.799 94.901 1.00855.43 O ATOM 13606 C3* A B 689 -855.329 -36.330 95.726 1.00855.43 C ATOM 13607 O3* A B 689 -854.742 -35.944 96.966 1.00855.43 O ATOM 13608 C2* A B 689 -854.657 -37.571 95.131 1.00855.43 C ATOM 13609 O2* A B 689 -854.221 -38.468 96.134 1.00855.43 O ATOM 13610 C1* A B 689 -855.797 -38.223 94.337 1.00855.43 C ATOM 13611 N9 A B 689 -855.807 -37.998 92.884 1.00855.43 N ATOM 13612 C8 A B 689 -856.032 -38.947 91.909 1.00855.43 C ATOM 13613 N7 A B 689 -855.944 -38.474 90.682 1.00855.43 N ATOM 13614 C5 A B 689 -855.648 -37.152 90.856 1.00855.43 C ATOM 13615 C6 A B 689 -855.416 -36.150 89.936 1.00855.43 C ATOM 13616 N6 A B 689 -855.434 -36.358 88.611 1.00855.43 N ATOM 13617 N1 A B 689 -855.161 -34.923 90.408 1.00855.43 N ATOM 13618 C2 A B 689 -855.138 -34.735 91.732 1.00855.43 C ATOM 13619 N3 A B 689 -855.325 -35.614 92.711 1.00855.43 N ATOM 13620 C4 A B 689 -855.579 -36.826 92.203 1.00855.43 C ATOM 13621 P A B 690 -853.268 -35.303 96.990 1.00855.43 P ATOM 13622 O1P A B 690 -852.308 -36.384 96.642 1.00855.43 O ATOM 13623 O2P A B 690 -853.092 -34.551 98.260 1.00855.43 O ATOM 13624 O5* A B 690 -853.295 -34.264 95.785 1.00855.43 O ATOM 13625 C5* A B 690 -852.110 -33.986 95.050 1.00855.43 C ATOM 13626 C4* A B 690 -852.320 -32.799 94.142 1.00855.43 C ATOM 13627 O4* A B 690 -853.518 -32.994 93.343 1.00855.43 O ATOM 13628 C3* A B 690 -852.537 -31.498 94.833 1.00855.43 C ATOM 13629 O3* A B 690 -851.258 -30.952 95.112 1.00855.43 O ATOM 13630 C2* A B 690 -853.307 -30.670 93.813 1.00855.43 C ATOM 13631 O2* A B 690 -852.458 -30.039 92.872 1.00855.43 O ATOM 13632 C1* A B 690 -854.137 -31.740 93.109 1.00855.43 C ATOM 13633 N9 A B 690 -855.500 -31.781 93.642 1.00855.43 N ATOM 13634 C8 A B 690 -855.932 -32.152 94.893 1.00855.43 C ATOM 13635 N7 A B 690 -857.230 -32.070 95.049 1.00855.43 N ATOM 13636 C5 A B 690 -857.686 -31.608 93.821 1.00855.43 C ATOM 13637 C6 A B 690 -858.972 -31.306 93.336 1.00855.43 C ATOM 13638 N6 A B 690 -860.087 -31.434 94.062 1.00855.43 N ATOM 13639 N1 A B 690 -859.076 -30.861 92.065 1.00855.43 N ATOM 13640 C2 A B 690 -857.961 -30.738 91.338 1.00855.43 C ATOM 13641 N3 A B 690 -856.700 -30.987 91.677 1.00855.43 N ATOM 13642 C4 A B 690 -856.631 -31.426 92.948 1.00855.43 C ATOM 13643 P C B 691 -851.146 -29.681 96.089 1.00855.43 P ATOM 13644 O1P C B 691 -849.704 -29.359 96.231 1.00855.43 O ATOM 13645 O2P C B 691 -851.960 -29.953 97.302 1.00855.43 O ATOM 13646 O5* C B 691 -851.845 -28.505 95.274 1.00855.43 O ATOM 13647 C5* C B 691 -851.114 -27.758 94.304 1.00855.43 C ATOM 13648 C4* C B 691 -851.818 -26.461 93.990 1.00855.43 C ATOM 13649 O4* C B 691 -852.958 -26.707 93.120 1.00855.43 O ATOM 13650 C3* C B 691 -852.445 -25.687 95.136 1.00855.43 C ATOM 13651 O3* C B 691 -851.480 -24.924 95.849 1.00855.43 O ATOM 13652 C2* C B 691 -853.457 -24.788 94.440 1.00855.43 C ATOM 13653 O2* C B 691 -852.875 -23.594 93.953 1.00855.43 O ATOM 13654 C1* C B 691 -853.898 -25.659 93.264 1.00855.43 C ATOM 13655 N1 C B 691 -855.233 -26.243 93.477 1.00855.43 N ATOM 13656 C2 C B 691 -856.345 -25.394 93.484 1.00855.43 C ATOM 13657 O2 C B 691 -856.177 -24.178 93.296 1.00855.43 O ATOM 13658 N3 C B 691 -857.572 -25.919 93.695 1.00855.43 N ATOM 13659 C4 C B 691 -857.712 -27.230 93.894 1.00855.43 C ATOM 13660 N4 C B 691 -858.940 -27.702 94.109 1.00855.43 N ATOM 13661 C5 C B 691 -856.597 -28.118 93.885 1.00855.43 C ATOM 13662 C6 C B 691 -855.386 -27.586 93.673 1.00855.43 C ATOM 13663 P C B 692 -851.749 -24.555 97.390 1.00855.43 P ATOM 13664 O1P C B 692 -850.514 -23.918 97.914 1.00855.43 O ATOM 13665 O2P C B 692 -852.299 -25.756 98.067 1.00855.43 O ATOM 13666 O5* C B 692 -852.895 -23.447 97.330 1.00855.43 O ATOM 13667 C5* C B 692 -852.679 -22.214 96.646 1.00855.43 C ATOM 13668 C4* C B 692 -853.869 -21.294 96.811 1.00855.43 C ATOM 13669 O4* C B 692 -855.046 -21.878 96.197 1.00855.43 O ATOM 13670 C3* C B 692 -854.281 -20.998 98.251 1.00855.43 C ATOM 13671 O3* C B 692 -853.541 -19.920 98.818 1.00855.43 O ATOM 13672 C2* C B 692 -855.753 -20.631 98.106 1.00855.43 C ATOM 13673 O2* C B 692 -855.945 -19.274 97.754 1.00855.43 O ATOM 13674 C1* C B 692 -856.197 -21.523 96.946 1.00855.43 C ATOM 13675 N1 C B 692 -856.882 -22.751 97.375 1.00855.43 N ATOM 13676 C2 C B 692 -858.117 -22.638 98.026 1.00855.43 C ATOM 13677 O2 C B 692 -858.594 -21.508 98.225 1.00855.43 O ATOM 13678 N3 C B 692 -858.760 -23.760 98.423 1.00855.43 N ATOM 13679 C4 C B 692 -858.215 -24.955 98.193 1.00855.43 C ATOM 13680 N4 C B 692 -858.878 -26.039 98.598 1.00855.43 N ATOM 13681 C5 C B 692 -856.957 -25.101 97.534 1.00855.43 C ATOM 13682 C6 C B 692 -856.335 -23.981 97.143 1.00855.43 C ATOM 13683 P A B 693 -853.664 -19.608 100.392 1.00855.43 P ATOM 13684 O1P A B 693 -852.580 -18.652 100.731 1.00855.43 O ATOM 13685 O2P A B 693 -853.757 -20.896 101.120 1.00855.43 O ATOM 13686 O5* A B 693 -855.058 -18.846 100.538 1.00855.43 O ATOM 13687 C5* A B 693 -855.210 -17.508 100.072 1.00855.43 C ATOM 13688 C4* A B 693 -856.501 -16.910 100.592 1.00855.43 C ATOM 13689 O4* A B 693 -857.629 -17.584 99.980 1.00855.43 O ATOM 13690 C3* A B 693 -856.672 -17.133 102.092 1.00855.43 C ATOM 13691 O3* A B 693 -856.075 -16.133 102.907 1.00855.43 O ATOM 13692 C2* A B 693 -858.186 -17.149 102.254 1.00855.43 C ATOM 13693 O2* A B 693 -858.738 -15.852 102.332 1.00855.43 O ATOM 13694 C1* A B 693 -858.631 -17.822 100.956 1.00855.43 C ATOM 13695 N9 A B 693 -858.772 -19.267 101.126 1.00855.43 N ATOM 13696 C8 A B 693 -857.895 -20.255 100.764 1.00855.43 C ATOM 13697 N7 A B 693 -858.299 -21.462 101.076 1.00855.43 N ATOM 13698 C5 A B 693 -859.529 -21.255 101.685 1.00855.43 C ATOM 13699 C6 A B 693 -860.469 -22.138 102.248 1.00855.43 C ATOM 13700 N6 A B 693 -860.308 -23.461 102.288 1.00855.43 N ATOM 13701 N1 A B 693 -861.595 -21.607 102.772 1.00855.43 N ATOM 13702 C2 A B 693 -861.754 -20.276 102.731 1.00855.43 C ATOM 13703 N3 A B 693 -860.943 -19.345 102.232 1.00855.43 N ATOM 13704 C4 A B 693 -859.835 -19.906 101.716 1.00855.43 C ATOM 13705 P G B 694 -855.304 -16.561 104.256 1.00855.43 P ATOM 13706 O1P G B 694 -854.455 -15.415 104.666 1.00855.43 O ATOM 13707 O2P G B 694 -854.683 -17.890 104.031 1.00855.43 O ATOM 13708 O5* G B 694 -856.464 -16.731 105.341 1.00855.43 O ATOM 13709 C5* G B 694 -857.421 -15.698 105.558 1.00855.43 C ATOM 13710 C4* G B 694 -858.737 -16.282 106.035 1.00855.43 C ATOM 13711 O4* G B 694 -859.261 -17.190 105.032 1.00855.43 O ATOM 13712 C3* G B 694 -858.680 -17.106 107.321 1.00855.43 C ATOM 13713 O3* G B 694 -858.762 -16.317 108.501 1.00855.43 O ATOM 13714 C2* G B 694 -859.897 -18.017 107.176 1.00855.43 C ATOM 13715 O2* G B 694 -861.098 -17.382 107.562 1.00855.43 O ATOM 13716 C1* G B 694 -859.918 -18.273 105.670 1.00855.43 C ATOM 13717 N9 G B 694 -859.217 -19.502 105.313 1.00855.43 N ATOM 13718 C8 G B 694 -858.081 -19.618 104.552 1.00855.43 C ATOM 13719 N7 G B 694 -857.678 -20.850 104.410 1.00855.43 N ATOM 13720 C5 G B 694 -858.605 -21.597 105.124 1.00855.43 C ATOM 13721 C6 G B 694 -858.689 -22.997 105.333 1.00855.43 C ATOM 13722 O6 G B 694 -857.936 -23.884 104.914 1.00855.43 O ATOM 13723 N1 G B 694 -859.788 -23.333 106.115 1.00855.43 N ATOM 13724 C2 G B 694 -860.694 -22.439 106.631 1.00855.43 C ATOM 13725 N2 G B 694 -861.686 -22.962 107.367 1.00855.43 N ATOM 13726 N3 G B 694 -860.627 -21.130 106.444 1.00855.43 N ATOM 13727 C4 G B 694 -859.564 -20.781 105.684 1.00855.43 C ATOM 13728 P G B 695 -857.626 -16.455 109.636 1.00855.43 P ATOM 13729 O1P G B 695 -857.520 -15.138 110.312 1.00855.43 O ATOM 13730 O2P G B 695 -856.422 -17.063 109.018 1.00855.43 O ATOM 13731 O5* G B 695 -858.235 -17.497 110.681 1.00855.43 O ATOM 13732 C5* G B 695 -859.543 -17.314 111.215 1.00855.43 C ATOM 13733 C4* G B 695 -860.304 -18.619 111.227 1.00855.43 C ATOM 13734 O4* G B 695 -860.289 -19.192 109.899 1.00855.43 O ATOM 13735 C3* G B 695 -859.732 -19.699 112.127 1.00855.43 C ATOM 13736 O3* G B 695 -860.227 -19.564 113.455 1.00855.43 O ATOM 13737 C2* G B 695 -860.228 -20.981 111.470 1.00855.43 C ATOM 13738 O2* G B 695 -861.548 -21.315 111.854 1.00855.43 O ATOM 13739 C1* G B 695 -860.203 -20.603 109.987 1.00855.43 C ATOM 13740 N9 G B 695 -858.969 -21.024 109.340 1.00855.43 N ATOM 13741 C8 G B 695 -857.994 -20.225 108.792 1.00855.43 C ATOM 13742 N7 G B 695 -856.996 -20.902 108.296 1.00855.43 N ATOM 13743 C5 G B 695 -857.332 -22.229 108.531 1.00855.43 C ATOM 13744 C6 G B 695 -856.633 -23.423 108.220 1.00855.43 C ATOM 13745 O6 G B 695 -855.541 -23.556 107.655 1.00855.43 O ATOM 13746 N1 G B 695 -857.338 -24.549 108.637 1.00855.43 N ATOM 13747 C2 G B 695 -858.556 -24.527 109.273 1.00855.43 C ATOM 13748 N2 G B 695 -859.081 -25.717 109.596 1.00855.43 N ATOM 13749 N3 G B 695 -859.211 -23.421 109.568 1.00855.43 N ATOM 13750 C4 G B 695 -858.548 -22.318 109.171 1.00855.43 C ATOM 13751 P U B 696 -859.413 -20.224 114.675 1.00855.43 P ATOM 13752 O1P U B 696 -860.039 -19.760 115.940 1.00855.43 O ATOM 13753 O2P U B 696 -857.963 -19.996 114.447 1.00855.43 O ATOM 13754 O5* U B 696 -859.691 -21.785 114.531 1.00855.43 O ATOM 13755 C5* U B 696 -860.706 -22.433 115.298 1.00855.43 C ATOM 13756 C4* U B 696 -860.337 -23.881 115.514 1.00855.43 C ATOM 13757 O4* U B 696 -860.067 -24.484 114.222 1.00855.43 O ATOM 13758 C3* U B 696 -859.067 -24.082 116.306 1.00855.43 C ATOM 13759 O3* U B 696 -859.355 -24.115 117.700 1.00855.43 O ATOM 13760 C2* U B 696 -858.530 -25.409 115.787 1.00855.43 C ATOM 13761 O2* U B 696 -859.121 -26.522 116.427 1.00855.43 O ATOM 13762 C1* U B 696 -858.967 -25.370 114.320 1.00855.43 C ATOM 13763 N1 U B 696 -857.922 -24.873 113.412 1.00855.43 N ATOM 13764 C2 U B 696 -857.445 -25.730 112.437 1.00855.43 C ATOM 13765 O2 U B 696 -857.841 -26.874 112.305 1.00855.43 O ATOM 13766 N3 U B 696 -856.484 -25.190 111.616 1.00855.43 N ATOM 13767 C4 U B 696 -855.959 -23.911 111.677 1.00855.43 C ATOM 13768 O4 U B 696 -855.094 -23.571 110.872 1.00855.43 O ATOM 13769 C5 U B 696 -856.502 -23.097 112.720 1.00855.43 C ATOM 13770 C6 U B 696 -857.440 -23.591 113.528 1.00855.43 C ATOM 13771 P G B 697 -858.253 -23.602 118.755 1.00855.43 P ATOM 13772 O1P G B 697 -858.747 -22.319 119.319 1.00855.43 O ATOM 13773 O2P G B 697 -856.920 -23.651 118.100 1.00855.43 O ATOM 13774 O5* G B 697 -858.287 -24.697 119.912 1.00855.43 O ATOM 13775 C5* G B 697 -857.087 -25.291 120.399 1.00855.43 C ATOM 13776 C4* G B 697 -857.017 -26.734 119.969 1.00855.43 C ATOM 13777 O4* G B 697 -857.371 -26.833 118.572 1.00855.43 O ATOM 13778 C3* G B 697 -855.645 -27.433 120.119 1.00855.43 C ATOM 13779 O3* G B 697 -855.382 -28.007 121.401 1.00855.43 O ATOM 13780 C2* G B 697 -855.707 -28.495 119.023 1.00855.43 C ATOM 13781 O2* G B 697 -856.349 -29.678 119.452 1.00855.43 O ATOM 13782 C1* G B 697 -856.571 -27.817 117.953 1.00855.43 C ATOM 13783 N9 G B 697 -855.876 -27.205 116.827 1.00855.43 N ATOM 13784 C8 G B 697 -855.347 -25.937 116.743 1.00855.43 C ATOM 13785 N7 G B 697 -854.794 -25.689 115.586 1.00855.43 N ATOM 13786 C5 G B 697 -854.966 -26.862 114.865 1.00855.43 C ATOM 13787 C6 G B 697 -854.568 -27.198 113.546 1.00855.43 C ATOM 13788 O6 G B 697 -853.959 -26.504 112.722 1.00855.43 O ATOM 13789 N1 G B 697 -854.941 -28.498 113.219 1.00855.43 N ATOM 13790 C2 G B 697 -855.605 -29.365 114.047 1.00855.43 C ATOM 13791 N2 G B 697 -855.870 -30.581 113.545 1.00855.43 N ATOM 13792 N3 G B 697 -855.980 -29.065 115.275 1.00855.43 N ATOM 13793 C4 G B 697 -855.630 -27.807 115.619 1.00855.43 C ATOM 13794 P A B 698 -853.880 -28.054 121.971 1.00855.43 P ATOM 13795 O1P A B 698 -853.862 -28.975 123.135 1.00855.43 O ATOM 13796 O2P A B 698 -853.392 -26.660 122.130 1.00855.43 O ATOM 13797 O5* A B 698 -853.042 -28.758 120.816 1.00855.43 O ATOM 13798 C5* A B 698 -853.115 -30.166 120.598 1.00855.43 C ATOM 13799 C4* A B 698 -851.852 -30.631 119.930 1.00855.43 C ATOM 13800 O4* A B 698 -851.738 -29.918 118.674 1.00855.43 O ATOM 13801 C3* A B 698 -850.508 -30.297 120.562 1.00855.43 C ATOM 13802 O3* A B 698 -850.223 -31.272 121.568 1.00855.43 O ATOM 13803 C2* A B 698 -849.509 -30.322 119.405 1.00855.43 C ATOM 13804 O2* A B 698 -848.963 -31.604 119.186 1.00855.43 O ATOM 13805 C1* A B 698 -850.402 -29.939 118.221 1.00855.43 C ATOM 13806 N9 A B 698 -850.123 -28.622 117.649 1.00855.43 N ATOM 13807 C8 A B 698 -850.333 -27.391 118.227 1.00855.43 C ATOM 13808 N7 A B 698 -850.021 -26.383 117.451 1.00855.43 N ATOM 13809 C5 A B 698 -849.566 -26.988 116.286 1.00855.43 C ATOM 13810 C6 A B 698 -849.089 -26.460 115.071 1.00855.43 C ATOM 13811 N6 A B 698 -848.990 -25.154 114.820 1.00855.43 N ATOM 13812 N1 A B 698 -848.712 -27.336 114.115 1.00855.43 N ATOM 13813 C2 A B 698 -848.813 -28.648 114.370 1.00855.43 C ATOM 13814 N3 A B 698 -849.250 -29.261 115.466 1.00855.43 N ATOM 13815 C4 A B 698 -849.615 -28.366 116.397 1.00855.43 C ATOM 13816 P G B 699 -849.433 -30.837 122.900 1.00855.43 P ATOM 13817 O1P G B 699 -849.973 -29.518 123.318 1.00855.43 O ATOM 13818 O2P G B 699 -847.977 -30.990 122.654 1.00855.43 O ATOM 13819 O5* G B 699 -849.871 -31.909 123.994 1.00855.43 O ATOM 13820 C5* G B 699 -850.307 -33.215 123.628 1.00855.43 C ATOM 13821 C4* G B 699 -851.339 -33.719 124.614 1.00855.43 C ATOM 13822 O4* G B 699 -852.437 -32.778 124.675 1.00855.43 O ATOM 13823 C3* G B 699 -852.037 -35.023 124.254 1.00855.43 C ATOM 13824 O3* G B 699 -851.264 -36.141 124.685 1.00855.43 O ATOM 13825 C2* G B 699 -853.362 -34.951 125.013 1.00855.43 C ATOM 13826 O2* G B 699 -853.264 -35.478 126.319 1.00855.43 O ATOM 13827 C1* G B 699 -853.609 -33.440 125.097 1.00855.43 C ATOM 13828 N9 G B 699 -854.723 -32.953 124.292 1.00855.43 N ATOM 13829 C8 G B 699 -855.604 -31.950 124.623 1.00855.43 C ATOM 13830 N7 G B 699 -856.490 -31.719 123.694 1.00855.43 N ATOM 13831 C5 G B 699 -856.178 -32.625 122.687 1.00855.43 C ATOM 13832 C6 G B 699 -856.785 -32.845 121.427 1.00855.43 C ATOM 13833 O6 G B 699 -857.757 -32.262 120.928 1.00855.43 O ATOM 13834 N1 G B 699 -856.147 -33.862 120.726 1.00855.43 N ATOM 13835 C2 G B 699 -855.062 -34.574 121.176 1.00855.43 C ATOM 13836 N2 G B 699 -854.585 -35.520 120.358 1.00855.43 N ATOM 13837 N3 G B 699 -854.488 -34.375 122.346 1.00855.43 N ATOM 13838 C4 G B 699 -855.092 -33.393 123.043 1.00855.43 C ATOM 13839 P C B 700 -850.439 -37.021 123.615 1.00855.43 P ATOM 13840 O1P C B 700 -849.664 -38.019 124.397 1.00855.43 O ATOM 13841 O2P C B 700 -849.727 -36.103 122.693 1.00855.43 O ATOM 13842 O5* C B 700 -851.541 -37.813 122.783 1.00855.43 O ATOM 13843 C5* C B 700 -851.835 -37.456 121.434 1.00855.43 C ATOM 13844 C4* C B 700 -851.133 -38.390 120.473 1.00855.43 C ATOM 13845 O4* C B 700 -851.511 -38.038 119.119 1.00855.43 O ATOM 13846 C3* C B 700 -849.604 -38.313 120.492 1.00855.43 C ATOM 13847 O3* C B 700 -849.006 -39.165 121.466 1.00855.43 O ATOM 13848 C2* C B 700 -849.225 -38.727 119.073 1.00855.43 C ATOM 13849 O2* C B 700 -849.162 -40.130 118.909 1.00855.43 O ATOM 13850 C1* C B 700 -850.399 -38.177 118.256 1.00855.43 C ATOM 13851 N1 C B 700 -850.153 -36.867 117.627 1.00855.43 N ATOM 13852 C2 C B 700 -849.959 -36.807 116.246 1.00855.43 C ATOM 13853 O2 C B 700 -849.969 -37.860 115.590 1.00855.43 O ATOM 13854 N3 C B 700 -849.765 -35.604 115.658 1.00855.43 N ATOM 13855 C4 C B 700 -849.757 -34.493 116.396 1.00855.43 C ATOM 13856 N4 C B 700 -849.574 -33.326 115.773 1.00855.43 N ATOM 13857 C5 C B 700 -849.935 -34.529 117.810 1.00855.43 C ATOM 13858 C6 C B 700 -850.129 -35.726 118.381 1.00855.43 C ATOM 13859 P U B 701 -847.512 -38.870 121.981 1.00855.43 P ATOM 13860 O1P U B 701 -847.164 -39.948 122.941 1.00855.43 O ATOM 13861 O2P U B 701 -847.432 -37.453 122.412 1.00855.43 O ATOM 13862 O5* U B 701 -846.608 -39.057 120.682 1.00855.43 O ATOM 13863 C5* U B 701 -846.167 -40.352 120.286 1.00855.43 C ATOM 13864 C4* U B 701 -844.982 -40.246 119.357 1.00855.43 C ATOM 13865 O4* U B 701 -845.441 -39.969 118.009 1.00855.43 O ATOM 13866 C3* U B 701 -843.998 -39.116 119.661 1.00855.43 C ATOM 13867 O3* U B 701 -843.039 -39.407 120.674 1.00855.43 O ATOM 13868 C2* U B 701 -843.335 -38.889 118.304 1.00855.43 C ATOM 13869 O2* U B 701 -842.294 -39.809 118.049 1.00855.43 O ATOM 13870 C1* U B 701 -844.490 -39.163 117.339 1.00855.43 C ATOM 13871 N1 U B 701 -845.160 -37.937 116.874 1.00855.43 N ATOM 13872 C2 U B 701 -844.760 -37.414 115.659 1.00855.43 C ATOM 13873 O2 U B 701 -843.882 -37.918 114.978 1.00855.43 O ATOM 13874 N3 U B 701 -845.425 -36.277 115.272 1.00855.43 N ATOM 13875 C4 U B 701 -846.425 -35.624 115.962 1.00855.43 C ATOM 13876 O4 U B 701 -846.930 -34.609 115.482 1.00855.43 O ATOM 13877 C5 U B 701 -846.778 -36.226 117.211 1.00855.43 C ATOM 13878 C6 U B 701 -846.147 -37.334 117.616 1.00855.43 C ATOM 13879 P A B 702 -842.727 -38.312 121.808 1.00855.43 P ATOM 13880 O1P A B 702 -841.745 -38.907 122.748 1.00855.43 O ATOM 13881 O2P A B 702 -844.017 -37.789 122.324 1.00855.43 O ATOM 13882 O5* A B 702 -841.999 -37.143 121.009 1.00855.43 O ATOM 13883 C5* A B 702 -840.957 -37.433 120.083 1.00855.43 C ATOM 13884 C4* A B 702 -840.530 -36.174 119.370 1.00855.43 C ATOM 13885 O4* A B 702 -841.683 -35.507 118.795 1.00855.43 O ATOM 13886 C3* A B 702 -839.954 -35.057 120.217 1.00855.43 C ATOM 13887 O3* A B 702 -838.599 -35.357 120.523 1.00855.43 O ATOM 13888 C2* A B 702 -840.122 -33.804 119.365 1.00855.43 C ATOM 13889 O2* A B 702 -839.037 -33.590 118.483 1.00855.43 O ATOM 13890 C1* A B 702 -841.383 -34.138 118.570 1.00855.43 C ATOM 13891 N9 A B 702 -842.532 -33.338 118.996 1.00855.43 N ATOM 13892 C8 A B 702 -843.514 -33.693 119.887 1.00855.43 C ATOM 13893 N7 A B 702 -844.411 -32.757 120.084 1.00855.43 N ATOM 13894 C5 A B 702 -843.997 -31.719 119.262 1.00855.43 C ATOM 13895 C6 A B 702 -844.524 -30.439 119.015 1.00855.43 C ATOM 13896 N6 A B 702 -845.632 -29.971 119.594 1.00855.43 N ATOM 13897 N1 A B 702 -843.867 -29.648 118.139 1.00855.43 N ATOM 13898 C2 A B 702 -842.759 -30.119 117.557 1.00855.43 C ATOM 13899 N3 A B 702 -842.166 -31.303 117.710 1.00855.43 N ATOM 13900 C4 A B 702 -842.840 -32.063 118.585 1.00855.43 C ATOM 13901 P A B 703 -837.914 -34.637 121.781 1.00855.43 P ATOM 13902 O1P A B 703 -836.874 -35.539 122.334 1.00855.43 O ATOM 13903 O2P A B 703 -838.986 -34.118 122.672 1.00855.43 O ATOM 13904 O5* A B 703 -837.191 -33.396 121.096 1.00855.43 O ATOM 13905 C5* A B 703 -836.830 -32.239 121.827 1.00855.43 C ATOM 13906 C4* A B 703 -836.476 -31.137 120.866 1.00855.43 C ATOM 13907 O4* A B 703 -837.470 -31.091 119.813 1.00855.43 O ATOM 13908 C3* A B 703 -836.544 -29.780 121.528 1.00855.43 C ATOM 13909 O3* A B 703 -835.330 -29.439 122.185 1.00855.43 O ATOM 13910 C2* A B 703 -836.886 -28.857 120.365 1.00855.43 C ATOM 13911 O2* A B 703 -835.751 -28.500 119.599 1.00855.43 O ATOM 13912 C1* A B 703 -837.806 -29.746 119.530 1.00855.43 C ATOM 13913 N9 A B 703 -839.209 -29.565 119.896 1.00855.43 N ATOM 13914 C8 A B 703 -840.069 -30.521 120.372 1.00855.43 C ATOM 13915 N7 A B 703 -841.261 -30.064 120.659 1.00855.43 N ATOM 13916 C5 A B 703 -841.184 -28.715 120.342 1.00855.43 C ATOM 13917 C6 A B 703 -842.119 -27.676 120.426 1.00855.43 C ATOM 13918 N6 A B 703 -843.366 -27.843 120.876 1.00855.43 N ATOM 13919 N1 A B 703 -841.729 -26.446 120.030 1.00855.43 N ATOM 13920 C2 A B 703 -840.476 -26.285 119.583 1.00855.43 C ATOM 13921 N3 A B 703 -839.507 -27.184 119.462 1.00855.43 N ATOM 13922 C4 A B 703 -839.928 -28.394 119.862 1.00855.43 C ATOM 13923 P G B 704 -835.282 -29.421 123.789 1.00855.43 P ATOM 13924 O1P G B 704 -833.981 -29.995 124.216 1.00855.43 O ATOM 13925 O2P G B 704 -836.547 -30.000 124.305 1.00855.43 O ATOM 13926 O5* G B 704 -835.274 -27.868 124.133 1.00855.43 O ATOM 13927 C5* G B 704 -834.593 -26.944 123.296 1.00855.43 C ATOM 13928 C4* G B 704 -835.489 -25.779 122.988 1.00855.43 C ATOM 13929 O4* G B 704 -836.590 -26.197 122.142 1.00855.43 O ATOM 13930 C3* G B 704 -836.154 -25.159 124.207 1.00855.43 C ATOM 13931 O3* G B 704 -835.291 -24.254 124.879 1.00855.43 O ATOM 13932 C2* G B 704 -837.383 -24.493 123.603 1.00855.43 C ATOM 13933 O2* G B 704 -837.075 -23.249 123.029 1.00855.43 O ATOM 13934 C1* G B 704 -837.756 -25.470 122.488 1.00855.43 C ATOM 13935 N9 G B 704 -838.786 -26.416 122.904 1.00855.43 N ATOM 13936 C8 G B 704 -838.657 -27.773 123.059 1.00855.43 C ATOM 13937 N7 G B 704 -839.762 -28.352 123.433 1.00855.43 N ATOM 13938 C5 G B 704 -840.676 -27.313 123.537 1.00855.43 C ATOM 13939 C6 G B 704 -842.046 -27.323 123.908 1.00855.43 C ATOM 13940 O6 G B 704 -842.753 -28.285 124.226 1.00855.43 O ATOM 13941 N1 G B 704 -842.587 -26.043 123.889 1.00855.43 N ATOM 13942 C2 G B 704 -841.906 -24.901 123.559 1.00855.43 C ATOM 13943 N2 G B 704 -842.612 -23.761 123.611 1.00855.43 N ATOM 13944 N3 G B 704 -840.634 -24.876 123.207 1.00855.43 N ATOM 13945 C4 G B 704 -840.086 -26.109 123.218 1.00855.43 C ATOM 13946 P C B 705 -835.127 -24.364 126.472 1.00855.43 P ATOM 13947 O1P C B 705 -834.098 -23.371 126.879 1.00855.43 O ATOM 13948 O2P C B 705 -834.964 -25.789 126.849 1.00855.43 O ATOM 13949 O5* C B 705 -836.528 -23.849 127.015 1.00855.43 O ATOM 13950 C5* C B 705 -836.707 -22.467 127.256 1.00855.43 C ATOM 13951 C4* C B 705 -837.911 -22.213 128.119 1.00855.43 C ATOM 13952 O4* C B 705 -839.135 -22.563 127.429 1.00855.43 O ATOM 13953 C3* C B 705 -837.919 -23.024 129.388 1.00855.43 C ATOM 13954 O3* C B 705 -837.112 -22.413 130.378 1.00855.43 O ATOM 13955 C2* C B 705 -839.401 -23.062 129.743 1.00855.43 C ATOM 13956 O2* C B 705 -839.826 -21.895 130.424 1.00855.43 O ATOM 13957 C1* C B 705 -840.054 -23.108 128.357 1.00855.43 C ATOM 13958 N1 C B 705 -840.374 -24.479 127.937 1.00855.43 N ATOM 13959 C2 C B 705 -841.689 -24.920 128.053 1.00855.43 C ATOM 13960 O2 C B 705 -842.546 -24.134 128.486 1.00855.43 O ATOM 13961 N3 C B 705 -842.001 -26.186 127.694 1.00855.43 N ATOM 13962 C4 C B 705 -841.049 -26.996 127.225 1.00855.43 C ATOM 13963 N4 C B 705 -841.399 -28.239 126.884 1.00855.43 N ATOM 13964 C5 C B 705 -839.696 -26.569 127.087 1.00855.43 C ATOM 13965 C6 C B 705 -839.406 -25.313 127.448 1.00855.43 C ATOM 13966 P A B 706 -836.408 -23.326 131.491 1.00855.43 P ATOM 13967 O1P A B 706 -835.309 -22.537 132.101 1.00855.43 O ATOM 13968 O2P A B 706 -836.112 -24.649 130.882 1.00855.43 O ATOM 13969 O5* A B 706 -837.558 -23.515 132.572 1.00855.43 O ATOM 13970 C5* A B 706 -838.094 -22.386 133.252 1.00855.43 C ATOM 13971 C4* A B 706 -839.293 -22.796 134.067 1.00855.43 C ATOM 13972 O4* A B 706 -840.327 -23.350 133.216 1.00855.43 O ATOM 13973 C3* A B 706 -839.062 -23.854 135.136 1.00855.43 C ATOM 13974 O3* A B 706 -838.500 -23.303 136.319 1.00855.43 O ATOM 13975 C2* A B 706 -840.459 -24.424 135.341 1.00855.43 C ATOM 13976 O2* A B 706 -841.242 -23.642 136.220 1.00855.43 O ATOM 13977 C1* A B 706 -841.047 -24.341 133.927 1.00855.43 C ATOM 13978 N9 A B 706 -840.963 -25.603 133.182 1.00855.43 N ATOM 13979 C8 A B 706 -840.055 -25.953 132.216 1.00855.43 C ATOM 13980 N7 A B 706 -840.249 -27.147 131.711 1.00855.43 N ATOM 13981 C5 A B 706 -841.360 -27.618 132.394 1.00855.43 C ATOM 13982 C6 A B 706 -842.077 -28.832 132.324 1.00855.43 C ATOM 13983 N6 A B 706 -841.772 -29.827 131.486 1.00855.43 N ATOM 13984 N1 A B 706 -843.133 -28.986 133.153 1.00855.43 N ATOM 13985 C2 A B 706 -843.443 -27.986 133.987 1.00855.43 C ATOM 13986 N3 A B 706 -842.853 -26.803 134.145 1.00855.43 N ATOM 13987 C4 A B 706 -841.806 -26.681 133.310 1.00855.43 C ATOM 13988 P U B 707 -837.719 -24.265 137.339 1.00855.43 P ATOM 13989 O1P U B 707 -836.932 -23.408 138.262 1.00855.43 O ATOM 13990 O2P U B 707 -837.031 -25.322 136.554 1.00855.43 O ATOM 13991 O5* U B 707 -838.894 -24.948 138.164 1.00855.43 O ATOM 13992 C5* U B 707 -839.824 -24.156 138.900 1.00855.43 C ATOM 13993 C4* U B 707 -840.962 -25.019 139.373 1.00855.43 C ATOM 13994 O4* U B 707 -841.709 -25.522 138.233 1.00855.43 O ATOM 13995 C3* U B 707 -840.560 -26.248 140.152 1.00855.43 C ATOM 13996 O3* U B 707 -840.373 -25.895 141.517 1.00855.43 O ATOM 13997 C2* U B 707 -841.722 -27.203 139.918 1.00855.43 C ATOM 13998 O2* U B 707 -842.805 -26.963 140.796 1.00855.43 O ATOM 13999 C1* U B 707 -842.129 -26.854 138.482 1.00855.43 C ATOM 14000 N1 U B 707 -841.489 -27.718 137.481 1.00855.43 N ATOM 14001 C2 U B 707 -842.150 -28.869 137.064 1.00855.43 C ATOM 14002 O2 U B 707 -843.245 -29.202 137.482 1.00855.43 O ATOM 14003 N3 U B 707 -841.474 -29.620 136.131 1.00855.43 N ATOM 14004 C4 U B 707 -840.236 -29.345 135.584 1.00855.43 C ATOM 14005 O4 U B 707 -839.754 -30.120 134.759 1.00855.43 O ATOM 14006 C5 U B 707 -839.625 -28.142 136.059 1.00855.43 C ATOM 14007 C6 U B 707 -840.254 -27.390 136.966 1.00855.43 C ATOM 14008 P G B 708 -839.448 -26.817 142.449 1.00855.43 P ATOM 14009 O1P G B 708 -839.392 -26.195 143.796 1.00855.43 O ATOM 14010 O2P G B 708 -838.188 -27.106 141.720 1.00855.43 O ATOM 14011 O5* G B 708 -840.289 -28.162 142.551 1.00855.43 O ATOM 14012 C5* G B 708 -839.648 -29.427 142.621 1.00855.43 C ATOM 14013 C4* G B 708 -840.674 -30.525 142.511 1.00855.43 C ATOM 14014 O4* G B 708 -841.456 -30.352 141.302 1.00855.43 O ATOM 14015 C3* G B 708 -840.145 -31.949 142.416 1.00855.43 C ATOM 14016 O3* G B 708 -839.777 -32.485 143.679 1.00855.43 O ATOM 14017 C2* G B 708 -841.303 -32.683 141.755 1.00855.43 C ATOM 14018 O2* G B 708 -842.324 -33.024 142.670 1.00855.43 O ATOM 14019 C1* G B 708 -841.820 -31.621 140.782 1.00855.43 C ATOM 14020 N9 G B 708 -841.226 -31.757 139.460 1.00855.43 N ATOM 14021 C8 G B 708 -840.215 -30.992 138.924 1.00855.43 C ATOM 14022 N7 G B 708 -839.869 -31.369 137.725 1.00855.43 N ATOM 14023 C5 G B 708 -840.703 -32.442 137.446 1.00855.43 C ATOM 14024 C6 G B 708 -840.788 -33.266 136.292 1.00855.43 C ATOM 14025 O6 G B 708 -840.120 -33.207 135.254 1.00855.43 O ATOM 14026 N1 G B 708 -841.773 -34.238 136.431 1.00855.43 N ATOM 14027 C2 G B 708 -842.572 -34.401 137.534 1.00855.43 C ATOM 14028 N2 G B 708 -843.466 -35.399 137.475 1.00855.43 N ATOM 14029 N3 G B 708 -842.502 -33.643 138.616 1.00855.43 N ATOM 14030 C4 G B 708 -841.552 -32.690 138.504 1.00855.43 C ATOM 14031 P A B 709 -838.672 -33.648 143.750 1.00855.43 P ATOM 14032 O1P A B 709 -838.625 -34.139 145.150 1.00855.43 O ATOM 14033 O2P A B 709 -837.431 -33.153 143.103 1.00855.43 O ATOM 14034 O5* A B 709 -839.292 -34.796 142.836 1.00855.43 O ATOM 14035 C5* A B 709 -840.426 -35.528 143.277 1.00855.43 C ATOM 14036 C4* A B 709 -840.771 -36.606 142.283 1.00855.43 C ATOM 14037 O4* A B 709 -841.029 -36.013 140.985 1.00855.43 O ATOM 14038 C3* A B 709 -839.715 -37.647 141.994 1.00855.43 C ATOM 14039 O3* A B 709 -839.707 -38.618 143.027 1.00855.43 O ATOM 14040 C2* A B 709 -840.150 -38.203 140.643 1.00855.43 C ATOM 14041 O2* A B 709 -841.170 -39.175 140.760 1.00855.43 O ATOM 14042 C1* A B 709 -840.712 -36.950 139.965 1.00855.43 C ATOM 14043 N9 A B 709 -839.723 -36.345 139.075 1.00855.43 N ATOM 14044 C8 A B 709 -839.137 -35.106 139.153 1.00855.43 C ATOM 14045 N7 A B 709 -838.265 -34.872 138.205 1.00855.43 N ATOM 14046 C5 A B 709 -838.282 -36.032 137.445 1.00855.43 C ATOM 14047 C6 A B 709 -837.574 -36.426 136.293 1.00855.43 C ATOM 14048 N6 A B 709 -836.674 -35.655 135.674 1.00855.43 N ATOM 14049 N1 A B 709 -837.826 -37.652 135.790 1.00855.43 N ATOM 14050 C2 A B 709 -838.729 -38.426 136.409 1.00855.43 C ATOM 14051 N3 A B 709 -839.454 -38.170 137.492 1.00855.43 N ATOM 14052 C4 A B 709 -839.180 -36.946 137.966 1.00855.43 C ATOM 14053 P C B 710 -838.396 -39.524 143.245 1.00855.43 P ATOM 14054 O1P C B 710 -838.461 -40.077 144.622 1.00855.43 O ATOM 14055 O2P C B 710 -837.214 -38.729 142.828 1.00855.43 O ATOM 14056 O5* C B 710 -838.579 -40.723 142.215 1.00855.43 O ATOM 14057 C5* C B 710 -839.787 -41.474 142.191 1.00855.43 C ATOM 14058 C4* C B 710 -839.792 -42.433 141.023 1.00855.43 C ATOM 14059 O4* C B 710 -839.803 -41.679 139.781 1.00855.43 O ATOM 14060 C3* C B 710 -838.546 -43.295 140.958 1.00855.43 C ATOM 14061 O3* C B 710 -838.747 -44.487 141.704 1.00855.43 O ATOM 14062 C2* C B 710 -838.401 -43.578 139.471 1.00855.43 C ATOM 14063 O2* C B 710 -839.214 -44.652 139.041 1.00855.43 O ATOM 14064 C1* C B 710 -838.915 -42.278 138.854 1.00855.43 C ATOM 14065 N1 C B 710 -837.819 -41.338 138.572 1.00855.43 N ATOM 14066 C2 C B 710 -836.979 -41.606 137.496 1.00855.43 C ATOM 14067 O2 C B 710 -837.207 -42.602 136.796 1.00855.43 O ATOM 14068 N3 C B 710 -835.943 -40.773 137.244 1.00855.43 N ATOM 14069 C4 C B 710 -835.740 -39.707 138.018 1.00855.43 C ATOM 14070 N4 C B 710 -834.699 -38.918 137.734 1.00855.43 N ATOM 14071 C5 C B 710 -836.594 -39.400 139.114 1.00855.43 C ATOM 14072 C6 C B 710 -837.613 -40.235 139.355 1.00855.43 C ATOM 14073 P C B 711 -837.849 -44.764 143.008 1.00855.43 P ATOM 14074 O1P C B 711 -838.505 -45.854 143.773 1.00855.43 O ATOM 14075 O2P C B 711 -837.592 -43.458 143.667 1.00855.43 O ATOM 14076 O5* C B 711 -836.465 -45.302 142.422 1.00855.43 O ATOM 14077 C5* C B 711 -836.384 -46.575 141.784 1.00855.43 C ATOM 14078 C4* C B 711 -834.998 -46.802 141.204 1.00855.43 C ATOM 14079 O4* C B 711 -834.734 -45.894 140.097 1.00855.43 O ATOM 14080 C3* C B 711 -833.828 -46.588 142.162 1.00855.43 C ATOM 14081 O3* C B 711 -833.602 -47.724 143.003 1.00855.43 O ATOM 14082 C2* C B 711 -832.660 -46.333 141.201 1.00855.43 C ATOM 14083 O2* C B 711 -832.102 -47.545 140.734 1.00855.43 O ATOM 14084 C1* C B 711 -833.337 -45.624 140.017 1.00855.43 C ATOM 14085 N1 C B 711 -833.142 -44.152 139.879 1.00855.43 N ATOM 14086 C2 C B 711 -833.125 -43.515 138.573 1.00855.43 C ATOM 14087 O2 C B 711 -833.192 -44.194 137.530 1.00855.43 O ATOM 14088 N3 C B 711 -833.018 -42.158 138.505 1.00855.43 N ATOM 14089 C4 C B 711 -832.913 -41.446 139.638 1.00855.43 C ATOM 14090 N4 C B 711 -832.831 -40.120 139.531 1.00855.43 N ATOM 14091 C5 C B 711 -832.888 -42.060 140.931 1.00855.43 C ATOM 14092 C6 C B 711 -833.003 -43.395 141.003 1.00855.43 C ATOM 14093 P A B 712 -833.259 -47.518 144.564 1.00855.43 P ATOM 14094 O1P A B 712 -834.339 -46.687 145.153 1.00855.43 O ATOM 14095 O2P A B 712 -831.846 -47.071 144.668 1.00855.43 O ATOM 14096 O5* A B 712 -833.361 -48.981 145.195 1.00855.43 O ATOM 14097 C5* A B 712 -834.268 -49.253 146.265 1.00855.43 C ATOM 14098 C4* A B 712 -834.245 -50.723 146.632 1.00855.43 C ATOM 14099 O4* A B 712 -834.753 -51.536 145.542 1.00855.43 O ATOM 14100 C3* A B 712 -832.845 -51.257 146.939 1.00855.43 C ATOM 14101 O3* A B 712 -832.454 -51.058 148.295 1.00855.43 O ATOM 14102 C2* A B 712 -832.980 -52.742 146.605 1.00855.43 C ATOM 14103 O2* A B 712 -833.488 -53.506 147.679 1.00855.43 O ATOM 14104 C1* A B 712 -834.002 -52.731 145.466 1.00855.43 C ATOM 14105 N9 A B 712 -833.435 -52.854 144.124 1.00855.43 N ATOM 14106 C8 A B 712 -832.791 -51.900 143.382 1.00855.43 C ATOM 14107 N7 A B 712 -832.401 -52.318 142.201 1.00855.43 N ATOM 14108 C5 A B 712 -832.820 -53.642 142.162 1.00855.43 C ATOM 14109 C6 A B 712 -832.713 -54.641 141.178 1.00855.43 C ATOM 14110 N6 A B 712 -832.130 -54.454 139.991 1.00855.43 N ATOM 14111 N1 A B 712 -833.237 -55.855 141.457 1.00855.43 N ATOM 14112 C2 A B 712 -833.824 -56.041 142.646 1.00855.43 C ATOM 14113 N3 A B 712 -833.988 -55.184 143.649 1.00855.43 N ATOM 14114 C4 A B 712 -833.455 -53.987 143.341 1.00855.43 C ATOM 14115 P G B 713 -830.901 -50.867 148.655 1.00855.43 P ATOM 14116 O1P G B 713 -830.779 -50.878 150.134 1.00855.43 O ATOM 14117 O2P G B 713 -830.384 -49.705 147.888 1.00855.43 O ATOM 14118 O5* G B 713 -830.217 -52.187 148.089 1.00855.43 O ATOM 14119 C5* G B 713 -828.806 -52.261 147.931 1.00855.43 C ATOM 14120 C4* G B 713 -828.426 -53.584 147.313 1.00855.43 C ATOM 14121 O4* G B 713 -829.105 -53.742 146.041 1.00855.43 O ATOM 14122 C3* G B 713 -826.987 -53.794 146.954 1.00855.43 C ATOM 14123 O3* G B 713 -826.263 -54.125 148.131 1.00855.43 O ATOM 14124 C2* G B 713 -827.044 -54.912 145.926 1.00855.43 C ATOM 14125 O2* G B 713 -827.186 -56.179 146.536 1.00855.43 O ATOM 14126 C1* G B 713 -828.331 -54.564 145.180 1.00855.43 C ATOM 14127 N9 G B 713 -828.046 -53.788 143.979 1.00855.43 N ATOM 14128 C8 G B 713 -827.392 -52.582 143.929 1.00855.43 C ATOM 14129 N7 G B 713 -827.239 -52.130 142.715 1.00855.43 N ATOM 14130 C5 G B 713 -827.832 -53.092 141.909 1.00855.43 C ATOM 14131 C6 G B 713 -827.965 -53.150 140.502 1.00855.43 C ATOM 14132 O6 G B 713 -827.570 -52.340 139.659 1.00855.43 O ATOM 14133 N1 G B 713 -828.635 -54.299 140.096 1.00855.43 N ATOM 14134 C2 G B 713 -829.117 -55.269 140.936 1.00855.43 C ATOM 14135 N2 G B 713 -829.737 -56.298 140.339 1.00855.43 N ATOM 14136 N3 G B 713 -828.998 -55.231 142.258 1.00855.43 N ATOM 14137 C4 G B 713 -828.348 -54.120 142.673 1.00855.43 C ATOM 14138 P G B 714 -824.671 -53.896 148.165 1.00855.43 P ATOM 14139 O1P G B 714 -824.209 -54.189 149.544 1.00855.43 O ATOM 14140 O2P G B 714 -824.385 -52.569 147.563 1.00855.43 O ATOM 14141 O5* G B 714 -824.097 -55.021 147.192 1.00855.43 O ATOM 14142 C5* G B 714 -824.174 -56.391 147.564 1.00855.43 C ATOM 14143 C4* G B 714 -823.904 -57.289 146.377 1.00855.43 C ATOM 14144 O4* G B 714 -824.861 -57.019 145.317 1.00855.43 O ATOM 14145 C3* G B 714 -822.529 -57.090 145.763 1.00855.43 C ATOM 14146 O3* G B 714 -821.587 -57.957 146.378 1.00855.43 O ATOM 14147 C2* G B 714 -822.756 -57.471 144.304 1.00855.43 C ATOM 14148 O2* G B 714 -822.684 -58.866 144.091 1.00855.43 O ATOM 14149 C1* G B 714 -824.189 -56.997 144.070 1.00855.43 C ATOM 14150 N9 G B 714 -824.208 -55.638 143.534 1.00855.43 N ATOM 14151 C8 G B 714 -824.160 -54.455 144.227 1.00855.43 C ATOM 14152 N7 G B 714 -824.157 -53.405 143.443 1.00855.43 N ATOM 14153 C5 G B 714 -824.213 -53.935 142.163 1.00855.43 C ATOM 14154 C6 G B 714 -824.229 -53.289 140.897 1.00855.43 C ATOM 14155 O6 G B 714 -824.196 -52.076 140.646 1.00855.43 O ATOM 14156 N1 G B 714 -824.289 -54.207 139.855 1.00855.43 N ATOM 14157 C2 G B 714 -824.332 -55.569 140.006 1.00855.43 C ATOM 14158 N2 G B 714 -824.392 -56.291 138.875 1.00855.43 N ATOM 14159 N3 G B 714 -824.314 -56.185 141.176 1.00855.43 N ATOM 14160 C4 G B 714 -824.255 -55.310 142.204 1.00855.43 C ATOM 14161 P U B 715 -820.059 -57.481 146.524 1.00855.43 P ATOM 14162 O1P U B 715 -819.331 -58.531 147.279 1.00855.43 O ATOM 14163 O2P U B 715 -820.051 -56.082 147.023 1.00855.43 O ATOM 14164 O5* U B 715 -819.509 -57.478 145.029 1.00855.43 O ATOM 14165 C5* U B 715 -819.058 -58.680 144.412 1.00855.43 C ATOM 14166 C4* U B 715 -818.740 -58.439 142.956 1.00855.43 C ATOM 14167 O4* U B 715 -819.857 -57.762 142.319 1.00855.43 O ATOM 14168 C3* U B 715 -817.542 -57.578 142.595 1.00855.43 C ATOM 14169 O3* U B 715 -816.340 -58.330 142.651 1.00855.43 O ATOM 14170 C2* U B 715 -817.867 -57.125 141.177 1.00855.43 C ATOM 14171 O2* U B 715 -817.520 -58.093 140.205 1.00855.43 O ATOM 14172 C1* U B 715 -819.389 -56.977 141.238 1.00855.43 C ATOM 14173 N1 U B 715 -819.797 -55.586 141.466 1.00855.43 N ATOM 14174 C2 U B 715 -819.669 -54.701 140.413 1.00855.43 C ATOM 14175 O2 U B 715 -819.242 -55.035 139.319 1.00855.43 O ATOM 14176 N3 U B 715 -820.058 -53.412 140.687 1.00855.43 N ATOM 14177 C4 U B 715 -820.552 -52.930 141.883 1.00855.43 C ATOM 14178 O4 U B 715 -820.870 -51.744 141.969 1.00855.43 O ATOM 14179 C5 U B 715 -820.653 -53.908 142.923 1.00855.43 C ATOM 14180 C6 U B 715 -820.283 -55.171 142.683 1.00855.43 C ATOM 14181 P U B 716 -814.933 -57.564 142.743 1.00855.43 P ATOM 14182 O1P U B 716 -813.867 -58.527 142.358 1.00855.43 O ATOM 14183 O2P U B 716 -814.860 -56.876 144.058 1.00855.43 O ATOM 14184 O5* U B 716 -815.029 -56.453 141.606 1.00855.43 O ATOM 14185 C5* U B 716 -814.594 -56.724 140.278 1.00855.43 C ATOM 14186 C4* U B 716 -814.228 -55.439 139.577 1.00855.43 C ATOM 14187 O4* U B 716 -815.417 -54.626 139.415 1.00855.43 O ATOM 14188 C3* U B 716 -813.280 -54.545 140.343 1.00855.43 C ATOM 14189 O3* U B 716 -811.927 -54.943 140.131 1.00855.43 O ATOM 14190 C2* U B 716 -813.575 -53.164 139.772 1.00855.43 C ATOM 14191 O2* U B 716 -812.878 -52.909 138.568 1.00855.43 O ATOM 14192 C1* U B 716 -815.076 -53.253 139.491 1.00855.43 C ATOM 14193 N1 U B 716 -815.899 -52.636 140.541 1.00855.43 N ATOM 14194 C2 U B 716 -816.182 -51.287 140.431 1.00855.43 C ATOM 14195 O2 U B 716 -815.774 -50.599 139.514 1.00855.43 O ATOM 14196 N3 U B 716 -816.966 -50.777 141.440 1.00855.43 N ATOM 14197 C4 U B 716 -817.476 -51.461 142.525 1.00855.43 C ATOM 14198 O4 U B 716 -818.172 -50.866 143.347 1.00855.43 O ATOM 14199 C5 U B 716 -817.130 -52.851 142.569 1.00855.43 C ATOM 14200 C6 U B 716 -816.373 -53.376 141.601 1.00855.43 C ATOM 14201 P G B 717 -811.721 -55.364 141.918 1.00855.20 P ATOM 14202 O1P G B 717 -810.297 -55.155 141.550 1.00855.20 O ATOM 14203 O2P G B 717 -812.180 -56.713 142.329 1.00855.20 O ATOM 14204 O5* G B 717 -812.088 -54.333 143.080 1.00855.20 O ATOM 14205 C5* G B 717 -811.347 -53.126 143.236 1.00855.20 C ATOM 14206 C4* G B 717 -812.144 -51.945 142.734 1.00855.20 C ATOM 14207 O4* G B 717 -813.548 -52.142 143.038 1.00855.20 O ATOM 14208 C3* G B 717 -811.812 -50.592 143.327 1.00855.20 C ATOM 14209 O3* G B 717 -810.720 -49.984 142.639 1.00855.20 O ATOM 14210 C2* G B 717 -813.102 -49.803 143.141 1.00855.20 C ATOM 14211 O2* G B 717 -813.200 -49.226 141.856 1.00855.20 O ATOM 14212 C1* G B 717 -814.168 -50.896 143.281 1.00855.20 C ATOM 14213 N9 G B 717 -814.805 -50.932 144.595 1.00855.20 N ATOM 14214 C8 G B 717 -814.529 -51.787 145.634 1.00855.20 C ATOM 14215 N7 G B 717 -815.278 -51.570 146.684 1.00855.20 N ATOM 14216 C5 G B 717 -816.087 -50.505 146.316 1.00855.20 C ATOM 14217 C6 G B 717 -817.103 -49.829 147.041 1.00855.20 C ATOM 14218 O6 G B 717 -817.500 -50.035 148.195 1.00855.20 O ATOM 14219 N1 G B 717 -817.675 -48.809 146.281 1.00855.20 N ATOM 14220 C2 G B 717 -817.318 -48.486 144.995 1.00855.20 C ATOM 14221 N2 G B 717 -817.989 -47.468 144.429 1.00855.20 N ATOM 14222 N3 G B 717 -816.377 -49.110 144.313 1.00855.20 N ATOM 14223 C4 G B 717 -815.806 -50.103 145.028 1.00855.20 C ATOM 14224 P A B 718 -809.559 -49.247 143.469 1.00855.20 P ATOM 14225 O1P A B 718 -808.446 -50.213 143.640 1.00855.20 O ATOM 14226 O2P A B 718 -810.166 -48.610 144.665 1.00855.20 O ATOM 14227 O5* A B 718 -809.062 -48.093 142.490 1.00855.20 O ATOM 14228 C5* A B 718 -808.026 -48.324 141.538 1.00855.20 C ATOM 14229 C4* A B 718 -808.097 -47.293 140.435 1.00855.20 C ATOM 14230 O4* A B 718 -809.453 -47.245 139.927 1.00855.20 O ATOM 14231 C3* A B 718 -807.779 -45.846 140.841 1.00855.20 C ATOM 14232 O3* A B 718 -806.393 -45.526 140.841 1.00855.20 O ATOM 14233 C2* A B 718 -808.575 -45.038 139.824 1.00855.20 C ATOM 14234 O2* A B 718 -807.915 -44.926 138.582 1.00855.20 O ATOM 14235 C1* A B 718 -809.829 -45.902 139.672 1.00855.20 C ATOM 14236 N9 A B 718 -810.849 -45.555 140.655 1.00855.20 N ATOM 14237 C8 A B 718 -811.379 -46.397 141.606 1.00855.20 C ATOM 14238 N7 A B 718 -812.265 -45.830 142.384 1.00855.20 N ATOM 14239 C5 A B 718 -812.328 -44.525 141.912 1.00855.20 C ATOM 14240 C6 A B 718 -813.080 -43.433 142.322 1.00855.20 C ATOM 14241 N6 A B 718 -813.933 -43.498 143.349 1.00855.20 N ATOM 14242 N1 A B 718 -812.924 -42.265 141.649 1.00855.20 N ATOM 14243 C2 A B 718 -812.049 -42.232 140.628 1.00855.20 C ATOM 14244 N3 A B 718 -811.277 -43.207 140.149 1.00855.20 N ATOM 14245 C4 A B 718 -811.467 -44.342 140.845 1.00855.20 C ATOM 14246 P A B 719 -805.808 -44.530 141.960 1.00855.20 P ATOM 14247 O1P A B 719 -804.332 -44.532 141.833 1.00855.20 O ATOM 14248 O2P A B 719 -806.436 -44.875 143.263 1.00855.20 O ATOM 14249 O5* A B 719 -806.346 -43.098 141.514 1.00855.20 O ATOM 14250 C5* A B 719 -805.679 -42.347 140.504 1.00855.20 C ATOM 14251 C4* A B 719 -806.284 -40.968 140.397 1.00855.20 C ATOM 14252 O4* A B 719 -807.719 -41.078 140.222 1.00855.20 O ATOM 14253 C3* A B 719 -806.111 -40.006 141.571 1.00855.20 C ATOM 14254 O3* A B 719 -804.842 -39.367 141.575 1.00855.20 O ATOM 14255 C2* A B 719 -807.276 -39.042 141.374 1.00855.20 C ATOM 14256 O2* A B 719 -806.993 -38.036 140.424 1.00855.20 O ATOM 14257 C1* A B 719 -808.361 -39.974 140.836 1.00855.20 C ATOM 14258 N9 A B 719 -809.230 -40.498 141.890 1.00855.20 N ATOM 14259 C8 A B 719 -809.151 -41.737 142.477 1.00855.20 C ATOM 14260 N7 A B 719 -810.054 -41.941 143.405 1.00855.20 N ATOM 14261 C5 A B 719 -810.779 -40.759 143.428 1.00855.20 C ATOM 14262 C6 A B 719 -811.876 -40.343 144.203 1.00855.20 C ATOM 14263 N6 A B 719 -812.451 -41.107 145.134 1.00855.20 N ATOM 14264 N1 A B 719 -812.365 -39.102 143.982 1.00855.20 N ATOM 14265 C2 A B 719 -811.778 -38.341 143.047 1.00855.20 C ATOM 14266 N3 A B 719 -810.741 -38.621 142.258 1.00855.20 N ATOM 14267 C4 A B 719 -810.282 -39.861 142.502 1.00855.20 C ATOM 14268 P A B 720 -804.134 -39.019 142.975 1.00855.20 P ATOM 14269 O1P A B 720 -803.018 -38.079 142.698 1.00855.20 O ATOM 14270 O2P A B 720 -803.854 -40.298 143.682 1.00855.20 O ATOM 14271 O5* A B 720 -805.258 -38.238 143.792 1.00855.20 O ATOM 14272 C5* A B 720 -805.517 -36.859 143.539 1.00855.20 C ATOM 14273 C4* A B 720 -806.433 -36.300 144.598 1.00855.20 C ATOM 14274 O4* A B 720 -807.633 -37.116 144.667 1.00855.20 O ATOM 14275 C3* A B 720 -805.965 -36.270 146.039 1.00855.20 C ATOM 14276 O3* A B 720 -805.095 -35.172 146.278 1.00855.20 O ATOM 14277 C2* A B 720 -807.271 -36.163 146.813 1.00855.20 C ATOM 14278 O2* A B 720 -807.770 -34.842 146.867 1.00855.20 O ATOM 14279 C1* A B 720 -808.193 -37.040 145.965 1.00855.20 C ATOM 14280 N9 A B 720 -808.250 -38.395 146.510 1.00855.20 N ATOM 14281 C8 A B 720 -807.778 -39.548 145.935 1.00855.20 C ATOM 14282 N7 A B 720 -807.929 -40.612 146.684 1.00855.20 N ATOM 14283 C5 A B 720 -808.555 -40.127 147.824 1.00855.20 C ATOM 14284 C6 A B 720 -808.985 -40.758 149.004 1.00855.20 C ATOM 14285 N6 A B 720 -808.832 -42.060 149.243 1.00855.20 N ATOM 14286 N1 A B 720 -809.579 -39.992 149.945 1.00855.20 N ATOM 14287 C2 A B 720 -809.719 -38.679 149.706 1.00855.20 C ATOM 14288 N3 A B 720 -809.352 -37.973 148.640 1.00855.20 N ATOM 14289 C4 A B 720 -808.770 -38.769 147.725 1.00855.20 C ATOM 14290 P C B 721 -803.963 -35.295 147.410 1.00855.20 P ATOM 14291 O1P C B 721 -803.408 -33.938 147.645 1.00855.20 O ATOM 14292 O2P C B 721 -803.052 -36.403 147.032 1.00855.20 O ATOM 14293 O5* C B 721 -804.763 -35.740 148.711 1.00855.20 O ATOM 14294 C5* C B 721 -805.168 -34.787 149.688 1.00855.20 C ATOM 14295 C4* C B 721 -805.528 -35.477 150.982 1.00855.20 C ATOM 14296 O4* C B 721 -806.545 -36.480 150.728 1.00855.20 O ATOM 14297 C3* C B 721 -804.413 -36.226 151.673 1.00855.20 C ATOM 14298 O3* C B 721 -803.696 -35.315 152.497 1.00855.20 O ATOM 14299 C2* C B 721 -805.154 -37.282 152.486 1.00855.20 C ATOM 14300 O2* C B 721 -805.626 -36.787 153.725 1.00855.20 O ATOM 14301 C1* C B 721 -806.338 -37.600 151.569 1.00855.20 C ATOM 14302 N1 C B 721 -806.070 -38.772 150.718 1.00855.20 N ATOM 14303 C2 C B 721 -806.358 -40.047 151.213 1.00855.20 C ATOM 14304 O2 C B 721 -806.856 -40.155 152.343 1.00855.20 O ATOM 14305 N3 C B 721 -806.084 -41.129 150.446 1.00855.20 N ATOM 14306 C4 C B 721 -805.552 -40.969 149.232 1.00855.20 C ATOM 14307 N4 C B 721 -805.290 -42.064 148.517 1.00855.20 N ATOM 14308 C5 C B 721 -805.263 -39.678 148.702 1.00855.20 C ATOM 14309 C6 C B 721 -805.538 -38.619 149.470 1.00855.20 C ATOM 14310 P C B 722 -802.136 -35.576 152.792 1.00855.20 P ATOM 14311 O1P C B 722 -801.658 -34.504 153.701 1.00855.20 O ATOM 14312 O2P C B 722 -801.451 -35.795 151.493 1.00855.20 O ATOM 14313 O5* C B 722 -802.129 -36.952 153.593 1.00855.20 O ATOM 14314 C5* C B 722 -802.465 -36.997 154.977 1.00855.20 C ATOM 14315 C4* C B 722 -802.100 -38.342 155.554 1.00855.20 C ATOM 14316 O4* C B 722 -802.740 -39.382 154.773 1.00855.20 O ATOM 14317 C3* C B 722 -800.619 -38.690 155.522 1.00855.20 C ATOM 14318 O3* C B 722 -799.938 -38.161 156.653 1.00855.20 O ATOM 14319 C2* C B 722 -800.631 -40.214 155.502 1.00855.20 C ATOM 14320 O2* C B 722 -800.780 -40.773 156.792 1.00855.20 O ATOM 14321 C1* C B 722 -801.883 -40.504 154.672 1.00855.20 C ATOM 14322 N1 C B 722 -801.604 -40.724 153.244 1.00855.20 N ATOM 14323 C2 C B 722 -801.156 -41.977 152.818 1.00855.20 C ATOM 14324 O2 C B 722 -800.999 -42.875 153.663 1.00855.20 O ATOM 14325 N3 C B 722 -800.908 -42.179 151.504 1.00855.20 N ATOM 14326 C4 C B 722 -801.089 -41.187 150.629 1.00855.20 C ATOM 14327 N4 C B 722 -800.833 -41.432 149.344 1.00855.20 N ATOM 14328 C5 C B 722 -801.537 -39.899 151.037 1.00855.20 C ATOM 14329 C6 C B 722 -801.780 -39.713 152.340 1.00855.20 C ATOM 14330 P C B 723 -798.351 -37.920 156.583 1.00855.20 P ATOM 14331 O1P C B 723 -797.982 -37.044 157.723 1.00855.20 O ATOM 14332 O2P C B 723 -797.999 -37.514 155.197 1.00855.20 O ATOM 14333 O5* C B 723 -797.737 -39.366 156.849 1.00855.20 O ATOM 14334 C5* C B 723 -797.557 -39.837 158.182 1.00855.20 C ATOM 14335 C4* C B 723 -797.120 -41.280 158.173 1.00855.20 C ATOM 14336 O4* C B 723 -798.076 -42.076 157.422 1.00855.20 O ATOM 14337 C3* C B 723 -795.795 -41.616 157.524 1.00855.20 C ATOM 14338 O3* C B 723 -794.730 -41.360 158.430 1.00855.20 O ATOM 14339 C2* C B 723 -795.939 -43.095 157.204 1.00855.20 C ATOM 14340 O2* C B 723 -795.664 -43.925 158.314 1.00855.20 O ATOM 14341 C1* C B 723 -797.420 -43.185 156.834 1.00855.20 C ATOM 14342 N1 C B 723 -797.588 -43.117 155.376 1.00855.20 N ATOM 14343 C2 C B 723 -797.560 -44.304 154.644 1.00855.20 C ATOM 14344 O2 C B 723 -797.454 -45.381 155.253 1.00855.20 O ATOM 14345 N3 C B 723 -797.646 -44.257 153.294 1.00855.20 N ATOM 14346 C4 C B 723 -797.767 -43.079 152.677 1.00855.20 C ATOM 14347 N4 C B 723 -797.827 -43.079 151.345 1.00855.20 N ATOM 14348 C5 C B 723 -797.829 -41.853 153.403 1.00855.20 C ATOM 14349 C6 C B 723 -797.741 -41.918 154.738 1.00855.20 C ATOM 14350 P C B 724 -793.268 -41.038 157.847 1.00855.20 P ATOM 14351 O1P C B 724 -792.350 -40.851 159.000 1.00855.20 O ATOM 14352 O2P C B 724 -793.406 -39.957 156.835 1.00855.20 O ATOM 14353 O5* C B 724 -792.856 -42.377 157.089 1.00855.20 O ATOM 14354 C5* C B 724 -792.618 -43.578 157.815 1.00855.20 C ATOM 14355 C4* C B 724 -792.446 -44.742 156.866 1.00855.20 C ATOM 14356 O4* C B 724 -793.534 -44.755 155.902 1.00855.20 O ATOM 14357 C3* C B 724 -791.186 -44.760 156.012 1.00855.20 C ATOM 14358 O3* C B 724 -790.064 -45.277 156.716 1.00855.20 O ATOM 14359 C2* C B 724 -791.595 -45.652 154.844 1.00855.20 C ATOM 14360 O2* C B 724 -791.493 -47.025 155.148 1.00855.20 O ATOM 14361 C1* C B 724 -793.068 -45.273 154.669 1.00855.20 C ATOM 14362 N1 C B 724 -793.247 -44.245 153.634 1.00855.20 N ATOM 14363 C2 C B 724 -793.035 -44.587 152.299 1.00855.20 C ATOM 14364 O2 C B 724 -792.727 -45.757 152.023 1.00855.20 O ATOM 14365 N3 C B 724 -793.172 -43.641 151.343 1.00855.20 N ATOM 14366 C4 C B 724 -793.507 -42.395 151.680 1.00855.20 C ATOM 14367 N4 C B 724 -793.617 -41.491 150.705 1.00855.20 N ATOM 14368 C5 C B 724 -793.744 -42.020 153.035 1.00855.20 C ATOM 14369 C6 C B 724 -793.606 -42.968 153.971 1.00855.20 C ATOM 14370 P C B 725 -788.584 -44.767 156.337 1.00855.20 P ATOM 14371 O1P C B 725 -787.622 -45.553 157.149 1.00855.20 O ATOM 14372 O2P C B 725 -788.578 -43.282 156.425 1.00855.20 O ATOM 14373 O5* C B 725 -788.396 -45.178 154.809 1.00855.20 O ATOM 14374 C5* C B 725 -788.489 -46.540 154.403 1.00855.20 C ATOM 14375 C4* C B 725 -788.498 -46.646 152.893 1.00855.20 C ATOM 14376 O4* C B 725 -789.542 -45.769 152.384 1.00855.20 O ATOM 14377 C3* C B 725 -787.246 -46.188 152.141 1.00855.20 C ATOM 14378 O3* C B 725 -786.298 -47.280 152.027 1.00855.20 O ATOM 14379 C2* C B 725 -787.797 -45.818 150.758 1.00855.20 C ATOM 14380 O2* C B 725 -787.823 -46.926 149.880 1.00855.20 O ATOM 14381 C1* C B 725 -789.243 -45.405 151.054 1.00855.20 C ATOM 14382 N1 C B 725 -789.592 -43.983 150.838 1.00855.20 N ATOM 14383 C2 C B 725 -789.701 -43.502 149.517 1.00855.20 C ATOM 14384 O2 C B 725 -789.480 -44.277 148.572 1.00855.20 O ATOM 14385 N3 C B 725 -790.046 -42.209 149.309 1.00855.20 N ATOM 14386 C4 C B 725 -790.276 -41.404 150.349 1.00855.20 C ATOM 14387 N4 C B 725 -790.621 -40.139 150.096 1.00855.20 N ATOM 14388 C5 C B 725 -790.163 -41.860 151.698 1.00855.20 C ATOM 14389 C6 C B 725 -789.820 -43.144 151.895 1.00855.20 C ATOM 14390 P G B 726 -784.709 -47.027 152.271 1.00855.20 P ATOM 14391 O1P G B 726 -784.139 -48.223 152.932 1.00855.20 O ATOM 14392 O2P G B 726 -784.592 -45.697 152.929 1.00855.20 O ATOM 14393 O5* G B 726 -784.033 -46.886 150.822 1.00855.20 O ATOM 14394 C5* G B 726 -782.913 -47.681 150.360 1.00855.20 C ATOM 14395 C4* G B 726 -782.853 -47.707 148.805 1.00855.20 C ATOM 14396 O4* G B 726 -784.091 -48.183 148.174 1.00855.20 O ATOM 14397 C3* G B 726 -782.618 -46.373 148.111 1.00855.20 C ATOM 14398 O3* G B 726 -781.271 -45.961 148.200 1.00855.20 O ATOM 14399 C2* G B 726 -783.103 -46.632 146.681 1.00855.20 C ATOM 14400 O2* G B 726 -782.151 -47.309 145.888 1.00855.20 O ATOM 14401 C1* G B 726 -784.301 -47.551 146.906 1.00855.20 C ATOM 14402 N9 G B 726 -785.588 -46.831 146.913 1.00855.20 N ATOM 14403 C8 G B 726 -785.921 -45.804 147.751 1.00855.20 C ATOM 14404 N7 G B 726 -787.153 -45.403 147.629 1.00855.20 N ATOM 14405 C5 G B 726 -787.666 -46.176 146.606 1.00855.20 C ATOM 14406 C6 G B 726 -788.958 -46.163 146.022 1.00855.20 C ATOM 14407 O6 G B 726 -789.944 -45.484 146.330 1.00855.20 O ATOM 14408 N1 G B 726 -789.042 -47.062 144.976 1.00855.20 N ATOM 14409 C2 G B 726 -788.022 -47.873 144.553 1.00855.20 C ATOM 14410 N2 G B 726 -788.307 -48.634 143.513 1.00855.20 N ATOM 14411 N3 G B 726 -786.817 -47.921 145.107 1.00855.20 N ATOM 14412 C4 G B 726 -786.708 -47.047 146.124 1.00855.20 C ATOM 14413 P U B 727 -780.954 -44.433 148.549 1.00855.20 P ATOM 14414 O1P U B 727 -779.707 -44.041 147.861 1.00855.20 O ATOM 14415 O2P U B 727 -781.058 -44.287 150.023 1.00855.20 O ATOM 14416 O5* U B 727 -782.182 -43.668 147.884 1.00855.20 O ATOM 14417 C5* U B 727 -782.173 -43.384 146.491 1.00855.20 C ATOM 14418 C4* U B 727 -783.257 -42.391 146.143 1.00855.20 C ATOM 14419 O4* U B 727 -784.554 -42.870 146.588 1.00855.20 O ATOM 14420 C3* U B 727 -783.106 -41.021 146.773 1.00855.20 C ATOM 14421 O3* U B 727 -782.244 -40.210 145.989 1.00855.20 O ATOM 14422 C2* U B 727 -784.535 -40.492 146.782 1.00855.20 C ATOM 14423 O2* U B 727 -784.915 -39.921 145.550 1.00855.20 O ATOM 14424 C1* U B 727 -785.345 -41.772 147.012 1.00855.20 C ATOM 14425 N1 U B 727 -785.718 -41.962 148.419 1.00855.20 N ATOM 14426 C2 U B 727 -786.972 -41.523 148.807 1.00855.20 C ATOM 14427 O2 U B 727 -787.744 -40.979 148.038 1.00855.20 O ATOM 14428 N3 U B 727 -787.286 -41.744 150.125 1.00855.20 N ATOM 14429 C4 U B 727 -786.488 -42.341 151.079 1.00855.20 C ATOM 14430 O4 U B 727 -786.935 -42.527 152.213 1.00855.20 O ATOM 14431 C5 U B 727 -785.198 -42.750 150.610 1.00855.20 C ATOM 14432 C6 U B 727 -784.863 -42.550 149.325 1.00855.20 C ATOM 14433 P G B 728 -780.812 -39.785 146.576 1.00855.20 P ATOM 14434 O1P G B 728 -780.176 -38.870 145.602 1.00855.20 O ATOM 14435 O2P G B 728 -780.098 -41.020 146.989 1.00855.20 O ATOM 14436 O5* G B 728 -781.166 -38.954 147.889 1.00855.20 O ATOM 14437 C5* G B 728 -782.175 -37.944 147.870 1.00855.20 C ATOM 14438 C4* G B 728 -781.549 -36.589 148.068 1.00855.20 C ATOM 14439 O4* G B 728 -780.470 -36.399 147.117 1.00855.20 O ATOM 14440 C3* G B 728 -782.482 -35.406 147.856 1.00855.20 C ATOM 14441 O3* G B 728 -783.205 -35.096 149.041 1.00855.20 O ATOM 14442 C2* G B 728 -781.521 -34.286 147.474 1.00855.20 C ATOM 14443 O2* G B 728 -780.957 -33.652 148.603 1.00855.20 O ATOM 14444 C1* G B 728 -780.425 -35.040 146.719 1.00855.20 C ATOM 14445 N9 G B 728 -780.553 -34.966 145.268 1.00855.20 N ATOM 14446 C8 G B 728 -780.654 -36.009 144.376 1.00855.20 C ATOM 14447 N7 G B 728 -780.747 -35.612 143.135 1.00855.20 N ATOM 14448 C5 G B 728 -780.709 -34.223 143.215 1.00855.20 C ATOM 14449 C6 G B 728 -780.771 -33.241 142.193 1.00855.20 C ATOM 14450 O6 G B 728 -780.874 -33.403 140.971 1.00855.20 O ATOM 14451 N1 G B 728 -780.697 -31.955 142.717 1.00855.20 N ATOM 14452 C2 G B 728 -780.581 -31.650 144.050 1.00855.20 C ATOM 14453 N2 G B 728 -780.525 -30.347 144.361 1.00855.20 N ATOM 14454 N3 G B 728 -780.521 -32.556 145.011 1.00855.20 N ATOM 14455 C4 G B 728 -780.590 -33.813 144.525 1.00855.20 C ATOM 14456 P A B 729 -784.784 -34.808 148.966 1.00855.20 P ATOM 14457 O1P A B 729 -785.171 -34.182 150.258 1.00855.20 O ATOM 14458 O2P A B 729 -785.470 -36.044 148.515 1.00855.20 O ATOM 14459 O5* A B 729 -784.936 -33.704 147.824 1.00855.20 O ATOM 14460 C5* A B 729 -784.593 -32.340 148.073 1.00855.20 C ATOM 14461 C4* A B 729 -784.564 -31.562 146.777 1.00855.20 C ATOM 14462 O4* A B 729 -783.532 -32.111 145.917 1.00855.20 O ATOM 14463 C3* A B 729 -785.851 -31.637 145.946 1.00855.20 C ATOM 14464 O3* A B 729 -786.848 -30.683 146.299 1.00855.20 O ATOM 14465 C2* A B 729 -785.340 -31.415 144.528 1.00855.20 C ATOM 14466 O2* A B 729 -785.164 -30.044 144.222 1.00855.20 O ATOM 14467 C1* A B 729 -783.971 -32.095 144.573 1.00855.20 C ATOM 14468 N9 A B 729 -783.977 -33.471 144.073 1.00855.20 N ATOM 14469 C8 A B 729 -783.845 -34.643 144.777 1.00855.20 C ATOM 14470 N7 A B 729 -783.849 -35.714 144.021 1.00855.20 N ATOM 14471 C5 A B 729 -784.002 -35.214 142.735 1.00855.20 C ATOM 14472 C6 A B 729 -784.060 -35.836 141.474 1.00855.20 C ATOM 14473 N6 A B 729 -783.931 -37.144 141.286 1.00855.20 N ATOM 14474 N1 A B 729 -784.238 -35.048 140.392 1.00855.20 N ATOM 14475 C2 A B 729 -784.325 -33.727 140.569 1.00855.20 C ATOM 14476 N3 A B 729 -784.261 -33.023 141.696 1.00855.20 N ATOM 14477 C4 A B 729 -784.099 -33.835 142.755 1.00855.20 C ATOM 14478 P C B 730 -788.303 -31.181 146.771 1.00855.20 P ATOM 14479 O1P C B 730 -789.211 -30.006 146.710 1.00855.20 O ATOM 14480 O2P C B 730 -788.152 -31.922 148.050 1.00855.20 O ATOM 14481 O5* C B 730 -788.758 -32.215 145.645 1.00855.20 O ATOM 14482 C5* C B 730 -788.653 -31.888 144.260 1.00855.20 C ATOM 14483 C4* C B 730 -788.062 -33.051 143.494 1.00855.20 C ATOM 14484 O4* C B 730 -787.111 -33.735 144.351 1.00855.20 O ATOM 14485 C3* C B 730 -789.054 -34.123 143.109 1.00855.20 C ATOM 14486 O3* C B 730 -789.686 -33.820 141.869 1.00855.20 O ATOM 14487 C2* C B 730 -788.194 -35.376 143.013 1.00855.20 C ATOM 14488 O2* C B 730 -787.525 -35.485 141.772 1.00855.20 O ATOM 14489 C1* C B 730 -787.177 -35.134 144.129 1.00855.20 C ATOM 14490 N1 C B 730 -787.598 -35.772 145.383 1.00855.20 N ATOM 14491 C2 C B 730 -786.848 -36.836 145.889 1.00855.20 C ATOM 14492 O2 C B 730 -785.827 -37.192 145.279 1.00855.20 O ATOM 14493 N3 C B 730 -787.247 -37.448 147.027 1.00855.20 N ATOM 14494 C4 C B 730 -788.347 -37.028 147.658 1.00855.20 C ATOM 14495 N4 C B 730 -788.712 -37.668 148.770 1.00855.20 N ATOM 14496 C5 C B 730 -789.122 -35.936 147.174 1.00855.20 C ATOM 14497 C6 C B 730 -788.716 -35.343 146.046 1.00855.20 C ATOM 14498 P A B 731 -791.285 -33.666 141.809 1.00855.20 P ATOM 14499 O1P A B 731 -791.608 -32.246 142.093 1.00855.20 O ATOM 14500 O2P A B 731 -791.885 -34.734 142.652 1.00855.20 O ATOM 14501 O5* A B 731 -791.649 -33.966 140.286 1.00855.20 O ATOM 14502 C5* A B 731 -792.506 -35.055 139.935 1.00855.20 C ATOM 14503 C4* A B 731 -791.699 -36.168 139.298 1.00855.20 C ATOM 14504 O4* A B 731 -790.401 -36.242 139.943 1.00855.20 O ATOM 14505 C3* A B 731 -792.281 -37.558 139.448 1.00855.20 C ATOM 14506 O3* A B 731 -793.245 -37.840 138.438 1.00855.20 O ATOM 14507 C2* A B 731 -791.050 -38.454 139.341 1.00855.20 C ATOM 14508 O2* A B 731 -790.681 -38.707 137.999 1.00855.20 O ATOM 14509 C1* A B 731 -789.982 -37.592 140.016 1.00855.20 C ATOM 14510 N9 A B 731 -789.823 -37.933 141.429 1.00855.20 N ATOM 14511 C8 A B 731 -790.696 -37.659 142.453 1.00855.20 C ATOM 14512 N7 A B 731 -790.303 -38.106 143.619 1.00855.20 N ATOM 14513 C5 A B 731 -789.085 -38.709 143.348 1.00855.20 C ATOM 14514 C6 A B 731 -788.158 -39.380 144.166 1.00855.20 C ATOM 14515 N6 A B 731 -788.329 -39.565 145.478 1.00855.20 N ATOM 14516 N1 A B 731 -787.040 -39.864 143.586 1.00855.20 N ATOM 14517 C2 A B 731 -786.874 -39.685 142.269 1.00855.20 C ATOM 14518 N3 A B 731 -787.675 -39.076 141.396 1.00855.20 N ATOM 14519 C4 A B 731 -788.774 -38.608 142.005 1.00855.20 C ATOM 14520 P G B 732 -794.439 -38.874 138.745 1.00855.20 P ATOM 14521 O1P G B 732 -795.039 -39.271 137.447 1.00855.20 O ATOM 14522 O2P G B 732 -795.298 -38.278 139.799 1.00855.20 O ATOM 14523 O5* G B 732 -793.718 -40.152 139.373 1.00855.20 O ATOM 14524 C5* G B 732 -792.943 -41.046 138.569 1.00855.20 C ATOM 14525 C4* G B 732 -792.381 -42.154 139.429 1.00855.20 C ATOM 14526 O4* G B 732 -791.543 -41.561 140.454 1.00855.20 O ATOM 14527 C3* G B 732 -793.353 -42.961 140.267 1.00855.20 C ATOM 14528 O3* G B 732 -793.984 -43.963 139.471 1.00855.20 O ATOM 14529 C2* G B 732 -792.481 -43.539 141.374 1.00855.20 C ATOM 14530 O2* G B 732 -791.824 -44.728 140.978 1.00855.20 O ATOM 14531 C1* G B 732 -791.455 -42.423 141.573 1.00855.20 C ATOM 14532 N9 G B 732 -791.725 -41.608 142.752 1.00855.20 N ATOM 14533 C8 G B 732 -792.684 -40.630 142.852 1.00855.20 C ATOM 14534 N7 G B 732 -792.721 -40.061 144.022 1.00855.20 N ATOM 14535 C5 G B 732 -791.727 -40.702 144.749 1.00855.20 C ATOM 14536 C6 G B 732 -791.306 -40.511 146.088 1.00855.20 C ATOM 14537 O6 G B 732 -791.743 -39.712 146.925 1.00855.20 O ATOM 14538 N1 G B 732 -790.263 -41.363 146.424 1.00855.20 N ATOM 14539 C2 G B 732 -789.697 -42.289 145.584 1.00855.20 C ATOM 14540 N2 G B 732 -788.698 -43.017 146.105 1.00855.20 N ATOM 14541 N3 G B 732 -790.084 -42.485 144.327 1.00855.20 N ATOM 14542 C4 G B 732 -791.098 -41.661 143.978 1.00855.20 C ATOM 14543 P G B 733 -795.356 -44.639 139.977 1.00855.20 P ATOM 14544 O1P G B 733 -795.874 -45.472 138.859 1.00855.20 O ATOM 14545 O2P G B 733 -796.212 -43.574 140.554 1.00855.20 O ATOM 14546 O5* G B 733 -794.909 -45.617 141.154 1.00855.20 O ATOM 14547 C5* G B 733 -794.193 -46.819 140.880 1.00855.20 C ATOM 14548 C4* G B 733 -793.880 -47.547 142.168 1.00855.20 C ATOM 14549 O4* G B 733 -792.884 -46.794 142.905 1.00855.20 O ATOM 14550 C3* G B 733 -795.010 -47.735 143.174 1.00855.20 C ATOM 14551 O3* G B 733 -795.843 -48.852 142.866 1.00855.20 O ATOM 14552 C2* G B 733 -794.262 -47.920 144.489 1.00855.20 C ATOM 14553 O2* G B 733 -793.813 -49.248 144.676 1.00855.20 O ATOM 14554 C1* G B 733 -793.052 -47.004 144.294 1.00855.20 C ATOM 14555 N9 G B 733 -793.211 -45.700 144.932 1.00855.20 N ATOM 14556 C8 G B 733 -793.649 -44.539 144.344 1.00855.20 C ATOM 14557 N7 G B 733 -793.675 -43.526 145.165 1.00855.20 N ATOM 14558 C5 G B 733 -793.231 -44.053 146.372 1.00855.20 C ATOM 14559 C6 G B 733 -793.047 -43.428 147.633 1.00855.20 C ATOM 14560 O6 G B 733 -793.244 -42.247 147.942 1.00855.20 O ATOM 14561 N1 G B 733 -792.580 -44.330 148.583 1.00855.20 N ATOM 14562 C2 G B 733 -792.328 -45.659 148.356 1.00855.20 C ATOM 14563 N2 G B 733 -791.889 -46.364 149.408 1.00855.20 N ATOM 14564 N3 G B 733 -792.491 -46.252 147.183 1.00855.20 N ATOM 14565 C4 G B 733 -792.942 -45.393 146.245 1.00855.20 C ATOM 14566 P G B 734 -797.322 -48.941 143.496 1.00855.20 P ATOM 14567 O1P G B 734 -798.057 -49.992 142.746 1.00855.20 O ATOM 14568 O2P G B 734 -797.883 -47.570 143.582 1.00855.20 O ATOM 14569 O5* G B 734 -797.084 -49.477 144.977 1.00855.20 O ATOM 14570 C5* G B 734 -796.925 -50.868 145.237 1.00855.20 C ATOM 14571 C4* G B 734 -797.199 -51.157 146.691 1.00855.20 C ATOM 14572 O4* G B 734 -796.162 -50.570 147.520 1.00855.20 O ATOM 14573 C3* G B 734 -798.502 -50.606 147.242 1.00855.20 C ATOM 14574 O3* G B 734 -799.570 -51.506 146.962 1.00855.20 O ATOM 14575 C2* G B 734 -798.216 -50.472 148.732 1.00855.20 C ATOM 14576 O2* G B 734 -798.423 -51.675 149.444 1.00855.20 O ATOM 14577 C1* G B 734 -796.725 -50.119 148.741 1.00855.20 C ATOM 14578 N9 G B 734 -796.450 -48.691 148.872 1.00855.20 N ATOM 14579 C8 G B 734 -796.245 -47.788 147.855 1.00855.20 C ATOM 14580 N7 G B 734 -796.007 -46.578 148.283 1.00855.20 N ATOM 14581 C5 G B 734 -796.061 -46.685 149.667 1.00855.20 C ATOM 14582 C6 G B 734 -795.881 -45.698 150.677 1.00855.20 C ATOM 14583 O6 G B 734 -795.630 -44.492 150.546 1.00855.20 O ATOM 14584 N1 G B 734 -796.024 -46.240 151.948 1.00855.20 N ATOM 14585 C2 G B 734 -796.299 -47.559 152.219 1.00855.20 C ATOM 14586 N2 G B 734 -796.400 -47.887 153.518 1.00855.20 N ATOM 14587 N3 G B 734 -796.467 -48.486 151.290 1.00855.20 N ATOM 14588 C4 G B 734 -796.337 -47.982 150.047 1.00855.20 C ATOM 14589 P G B 735 -800.791 -51.026 146.032 1.00855.20 P ATOM 14590 O1P G B 735 -800.919 -52.016 144.932 1.00855.20 O ATOM 14591 O2P G B 735 -800.604 -49.589 145.708 1.00855.20 O ATOM 14592 O5* G B 735 -802.062 -51.170 146.978 1.00855.20 O ATOM 14593 C5* G B 735 -802.154 -52.249 147.901 1.00855.20 C ATOM 14594 C4* G B 735 -802.183 -51.730 149.320 1.00855.20 C ATOM 14595 O4* G B 735 -801.049 -50.859 149.559 1.00855.20 O ATOM 14596 C3* G B 735 -803.406 -50.898 149.667 1.00855.20 C ATOM 14597 O3* G B 735 -804.498 -51.710 150.062 1.00855.20 O ATOM 14598 C2* G B 735 -802.896 -50.020 150.803 1.00855.20 C ATOM 14599 O2* G B 735 -802.923 -50.680 152.054 1.00855.20 O ATOM 14600 C1* G B 735 -801.449 -49.775 150.382 1.00855.20 C ATOM 14601 N9 G B 735 -801.333 -48.535 149.624 1.00855.20 N ATOM 14602 C8 G B 735 -801.552 -48.351 148.281 1.00855.20 C ATOM 14603 N7 G B 735 -801.397 -47.113 147.900 1.00855.20 N ATOM 14604 C5 G B 735 -801.049 -46.439 149.063 1.00855.20 C ATOM 14605 C6 G B 735 -800.754 -45.066 149.279 1.00855.20 C ATOM 14606 O6 G B 735 -800.745 -44.144 148.459 1.00855.20 O ATOM 14607 N1 G B 735 -800.448 -44.815 150.613 1.00855.20 N ATOM 14608 C2 G B 735 -800.427 -45.757 151.610 1.00855.20 C ATOM 14609 N2 G B 735 -800.107 -45.316 152.836 1.00855.20 N ATOM 14610 N3 G B 735 -800.698 -47.039 151.423 1.00855.20 N ATOM 14611 C4 G B 735 -800.999 -47.304 150.133 1.00855.20 C ATOM 14612 P G B 736 -805.977 -51.079 150.090 1.00855.20 P ATOM 14613 O1P G B 736 -806.917 -52.151 150.511 1.00855.20 O ATOM 14614 O2P G B 736 -806.201 -50.369 148.804 1.00855.20 O ATOM 14615 O5* G B 736 -805.906 -49.991 151.254 1.00855.20 O ATOM 14616 C5* G B 736 -806.070 -50.378 152.614 1.00855.20 C ATOM 14617 C4* G B 736 -806.249 -49.165 153.495 1.00855.20 C ATOM 14618 O4* G B 736 -805.030 -48.381 153.542 1.00855.20 O ATOM 14619 C3* G B 736 -807.337 -48.200 153.038 1.00855.20 C ATOM 14620 O3* G B 736 -808.632 -48.573 153.499 1.00855.20 O ATOM 14621 C2* G B 736 -806.881 -46.875 153.645 1.00855.20 C ATOM 14622 O2* G B 736 -807.277 -46.735 154.997 1.00855.20 O ATOM 14623 C1* G B 736 -805.355 -47.002 153.577 1.00855.20 C ATOM 14624 N9 G B 736 -804.774 -46.344 152.411 1.00855.20 N ATOM 14625 C8 G B 736 -804.355 -46.927 151.239 1.00855.20 C ATOM 14626 N7 G B 736 -803.875 -46.065 150.382 1.00855.20 N ATOM 14627 C5 G B 736 -803.985 -44.841 151.028 1.00855.20 C ATOM 14628 C6 G B 736 -803.628 -43.535 150.595 1.00855.20 C ATOM 14629 O6 G B 736 -803.126 -43.188 149.519 1.00855.20 O ATOM 14630 N1 G B 736 -803.907 -42.580 151.565 1.00855.20 N ATOM 14631 C2 G B 736 -804.462 -42.844 152.794 1.00855.20 C ATOM 14632 N2 G B 736 -804.654 -41.785 153.594 1.00855.20 N ATOM 14633 N3 G B 736 -804.801 -44.051 153.209 1.00855.20 N ATOM 14634 C4 G B 736 -804.537 -44.997 152.279 1.00855.20 C ATOM 14635 P C B 737 -809.790 -48.905 152.438 1.00855.20 P ATOM 14636 O1P C B 737 -810.382 -50.212 152.821 1.00855.20 O ATOM 14637 O2P C B 737 -809.235 -48.724 151.071 1.00855.20 O ATOM 14638 O5* C B 737 -810.881 -47.769 152.687 1.00855.20 O ATOM 14639 C5* C B 737 -811.173 -47.313 154.006 1.00855.20 C ATOM 14640 C4* C B 737 -810.953 -45.821 154.095 1.00855.20 C ATOM 14641 O4* C B 737 -809.557 -45.533 153.825 1.00855.20 O ATOM 14642 C3* C B 737 -811.696 -45.017 153.061 1.00855.20 C ATOM 14643 O3* C B 737 -813.011 -44.739 153.530 1.00855.20 O ATOM 14644 C2* C B 737 -810.855 -43.754 152.923 1.00855.20 C ATOM 14645 O2* C B 737 -811.159 -42.794 153.911 1.00855.20 O ATOM 14646 C1* C B 737 -809.442 -44.296 153.144 1.00855.20 C ATOM 14647 N1 C B 737 -808.736 -44.541 151.877 1.00855.20 N ATOM 14648 C2 C B 737 -807.696 -43.688 151.505 1.00855.20 C ATOM 14649 O2 C B 737 -807.392 -42.748 152.256 1.00855.20 O ATOM 14650 N3 C B 737 -807.049 -43.904 150.335 1.00855.20 N ATOM 14651 C4 C B 737 -807.408 -44.926 149.556 1.00855.20 C ATOM 14652 N4 C B 737 -806.746 -45.100 148.410 1.00855.20 N ATOM 14653 C5 C B 737 -808.460 -45.815 149.915 1.00855.20 C ATOM 14654 C6 C B 737 -809.090 -45.590 151.073 1.00855.20 C ATOM 14655 P G B 738 -813.535 -45.052 152.016 1.00855.43 P ATOM 14656 O1P G B 738 -814.710 -45.292 152.890 1.00855.43 O ATOM 14657 O2P G B 738 -813.138 -46.081 151.021 1.00855.43 O ATOM 14658 O5* G B 738 -813.764 -43.674 151.241 1.00855.43 O ATOM 14659 C5* G B 738 -813.429 -42.426 151.845 1.00855.43 C ATOM 14660 C4* G B 738 -812.760 -41.523 150.831 1.00855.43 C ATOM 14661 O4* G B 738 -811.543 -42.158 150.372 1.00855.43 O ATOM 14662 C3* G B 738 -813.590 -41.265 149.577 1.00855.43 C ATOM 14663 O3* G B 738 -814.422 -40.113 149.736 1.00855.43 O ATOM 14664 C2* G B 738 -812.529 -41.046 148.503 1.00855.43 C ATOM 14665 O2* G B 738 -812.050 -39.716 148.478 1.00855.43 O ATOM 14666 C1* G B 738 -811.404 -41.973 148.976 1.00855.43 C ATOM 14667 N9 G B 738 -811.404 -43.293 148.352 1.00855.43 N ATOM 14668 C8 G B 738 -812.202 -44.364 148.680 1.00855.43 C ATOM 14669 N7 G B 738 -811.952 -45.425 147.969 1.00855.43 N ATOM 14670 C5 G B 738 -810.933 -45.033 147.111 1.00855.43 C ATOM 14671 C6 G B 738 -810.245 -45.764 146.107 1.00855.43 C ATOM 14672 O6 G B 738 -810.402 -46.941 145.768 1.00855.43 O ATOM 14673 N1 G B 738 -809.287 -44.979 145.474 1.00855.43 N ATOM 14674 C2 G B 738 -809.020 -43.662 145.768 1.00855.43 C ATOM 14675 N2 G B 738 -808.057 -43.077 145.042 1.00855.43 N ATOM 14676 N3 G B 738 -809.655 -42.971 146.700 1.00855.43 N ATOM 14677 C4 G B 738 -810.591 -43.713 147.329 1.00855.43 C ATOM 14678 P G B 739 -816.023 -40.251 149.645 1.00855.43 P ATOM 14679 O1P G B 739 -816.603 -39.022 150.245 1.00855.43 O ATOM 14680 O2P G B 739 -816.410 -41.581 150.181 1.00855.43 O ATOM 14681 O5* G B 739 -816.343 -40.227 148.084 1.00855.43 O ATOM 14682 C5* G B 739 -815.639 -39.359 147.200 1.00855.43 C ATOM 14683 C4* G B 739 -815.260 -40.111 145.948 1.00855.43 C ATOM 14684 O4* G B 739 -814.484 -41.258 146.353 1.00855.43 O ATOM 14685 C3* G B 739 -816.425 -40.668 145.130 1.00855.43 C ATOM 14686 O3* G B 739 -816.796 -39.713 144.142 1.00855.43 O ATOM 14687 C2* G B 739 -815.843 -41.926 144.500 1.00855.43 C ATOM 14688 O2* G B 739 -815.168 -41.676 143.282 1.00855.43 O ATOM 14689 C1* G B 739 -814.841 -42.366 145.560 1.00855.43 C ATOM 14690 N9 G B 739 -815.283 -43.445 146.431 1.00855.43 N ATOM 14691 C8 G B 739 -816.156 -43.417 147.494 1.00855.43 C ATOM 14692 N7 G B 739 -816.309 -44.587 148.056 1.00855.43 N ATOM 14693 C5 G B 739 -815.485 -45.425 147.314 1.00855.43 C ATOM 14694 C6 G B 739 -815.220 -46.811 147.436 1.00855.43 C ATOM 14695 O6 G B 739 -815.674 -47.617 148.263 1.00855.43 O ATOM 14696 N1 G B 739 -814.313 -47.242 146.458 1.00855.43 N ATOM 14697 C2 G B 739 -813.747 -46.430 145.491 1.00855.43 C ATOM 14698 N2 G B 739 -812.895 -46.976 144.617 1.00855.43 N ATOM 14699 N3 G B 739 -813.992 -45.151 145.383 1.00855.43 N ATOM 14700 C4 G B 739 -814.857 -44.720 146.310 1.00855.43 C ATOM 14701 P A B 740 -817.999 -40.035 143.125 1.00855.43 P ATOM 14702 O1P A B 740 -818.693 -38.750 142.862 1.00855.43 O ATOM 14703 O2P A B 740 -818.779 -41.198 143.621 1.00855.43 O ATOM 14704 O5* A B 740 -817.256 -40.489 141.790 1.00855.43 O ATOM 14705 C5* A B 740 -816.334 -39.627 141.133 1.00855.43 C ATOM 14706 C4* A B 740 -815.654 -40.356 139.996 1.00855.43 C ATOM 14707 O4* A B 740 -814.951 -41.521 140.501 1.00855.43 O ATOM 14708 C3* A B 740 -816.542 -40.934 138.917 1.00855.43 C ATOM 14709 O3* A B 740 -816.869 -39.903 137.990 1.00855.43 O ATOM 14710 C2* A B 740 -815.692 -42.029 138.288 1.00855.43 C ATOM 14711 O2* A B 740 -814.857 -41.547 137.254 1.00855.43 O ATOM 14712 C1* A B 740 -814.829 -42.483 139.467 1.00855.43 C ATOM 14713 N9 A B 740 -815.198 -43.795 140.005 1.00855.43 N ATOM 14714 C8 A B 740 -816.170 -44.095 140.930 1.00855.43 C ATOM 14715 N7 A B 740 -816.242 -45.373 141.223 1.00855.43 N ATOM 14716 C5 A B 740 -815.255 -45.951 140.434 1.00855.43 C ATOM 14717 C6 A B 740 -814.823 -47.281 140.284 1.00855.43 C ATOM 14718 N6 A B 740 -815.349 -48.310 140.949 1.00855.43 N ATOM 14719 N1 A B 740 -813.818 -47.518 139.412 1.00855.43 N ATOM 14720 C2 A B 740 -813.289 -46.485 138.748 1.00855.43 C ATOM 14721 N3 A B 740 -813.605 -45.192 138.805 1.00855.43 N ATOM 14722 C4 A B 740 -814.607 -44.992 139.679 1.00855.43 C ATOM 14723 P G B 741 -818.232 -39.996 137.145 1.00855.43 P ATOM 14724 O1P G B 741 -818.322 -38.769 136.316 1.00855.43 O ATOM 14725 O2P G B 741 -819.337 -40.336 138.076 1.00855.43 O ATOM 14726 O5* G B 741 -817.996 -41.236 136.171 1.00855.43 O ATOM 14727 C5* G B 741 -817.056 -41.153 135.103 1.00855.43 C ATOM 14728 C4* G B 741 -816.793 -42.523 134.521 1.00855.43 C ATOM 14729 O4* G B 741 -816.218 -43.395 135.523 1.00855.43 O ATOM 14730 C3* G B 741 -818.021 -43.251 133.987 1.00855.43 C ATOM 14731 O3* G B 741 -818.282 -42.881 132.644 1.00855.43 O ATOM 14732 C2* G B 741 -817.595 -44.715 134.079 1.00855.43 C ATOM 14733 O2* G B 741 -816.857 -45.141 132.954 1.00855.43 O ATOM 14734 C1* G B 741 -816.678 -44.716 135.306 1.00855.43 C ATOM 14735 N9 G B 741 -817.261 -45.233 136.539 1.00855.43 N ATOM 14736 C8 G B 741 -818.013 -44.554 137.469 1.00855.43 C ATOM 14737 N7 G B 741 -818.387 -45.305 138.473 1.00855.43 N ATOM 14738 C5 G B 741 -817.851 -46.553 138.183 1.00855.43 C ATOM 14739 C6 G B 741 -817.915 -47.776 138.903 1.00855.43 C ATOM 14740 O6 G B 741 -818.478 -48.015 139.982 1.00855.43 O ATOM 14741 N1 G B 741 -817.233 -48.795 138.244 1.00855.43 N ATOM 14742 C2 G B 741 -816.571 -48.657 137.048 1.00855.43 C ATOM 14743 N2 G B 741 -815.972 -49.758 136.573 1.00855.43 N ATOM 14744 N3 G B 741 -816.500 -47.525 136.373 1.00855.43 N ATOM 14745 C4 G B 741 -817.157 -46.523 136.993 1.00855.43 C ATOM 14746 P G B 742 -819.610 -42.051 132.296 1.00855.43 P ATOM 14747 O1P G B 742 -819.522 -41.659 130.864 1.00855.43 O ATOM 14748 O2P G B 742 -819.792 -41.008 133.332 1.00855.43 O ATOM 14749 O5* G B 742 -820.776 -43.120 132.460 1.00855.43 O ATOM 14750 C5* G B 742 -820.904 -44.202 131.542 1.00855.43 C ATOM 14751 C4* G B 742 -822.268 -44.171 130.903 1.00855.43 C ATOM 14752 O4* G B 742 -822.391 -42.998 130.069 1.00855.43 O ATOM 14753 C3* G B 742 -822.610 -45.357 129.993 1.00855.43 C ATOM 14754 O3* G B 742 -823.119 -46.477 130.713 1.00855.43 O ATOM 14755 C2* G B 742 -823.646 -44.753 129.046 1.00855.43 C ATOM 14756 O2* G B 742 -824.949 -44.761 129.596 1.00855.43 O ATOM 14757 C1* G B 742 -823.174 -43.300 128.933 1.00855.43 C ATOM 14758 N9 G B 742 -822.386 -42.937 127.759 1.00855.43 N ATOM 14759 C8 G B 742 -822.355 -41.697 127.171 1.00855.43 C ATOM 14760 N7 G B 742 -821.520 -41.624 126.174 1.00855.43 N ATOM 14761 C5 G B 742 -820.975 -42.897 126.084 1.00855.43 C ATOM 14762 C6 G B 742 -820.009 -43.407 125.195 1.00855.43 C ATOM 14763 O6 G B 742 -819.406 -42.807 124.299 1.00855.43 O ATOM 14764 N1 G B 742 -819.753 -44.752 125.436 1.00855.43 N ATOM 14765 C2 G B 742 -820.351 -45.508 126.412 1.00855.43 C ATOM 14766 N2 G B 742 -819.975 -46.795 126.466 1.00855.43 N ATOM 14767 N3 G B 742 -821.248 -45.035 127.266 1.00855.43 N ATOM 14768 C4 G B 742 -821.511 -43.728 127.044 1.00855.43 C ATOM 14769 P A B 743 -822.898 -47.965 130.155 1.00855.43 P ATOM 14770 O1P A B 743 -823.238 -47.963 128.711 1.00855.43 O ATOM 14771 O2P A B 743 -823.602 -48.898 131.074 1.00855.43 O ATOM 14772 O5* A B 743 -821.334 -48.220 130.300 1.00855.43 O ATOM 14773 C5* A B 743 -820.687 -48.151 131.569 1.00855.43 C ATOM 14774 C4* A B 743 -820.095 -49.494 131.925 1.00855.43 C ATOM 14775 O4* A B 743 -819.169 -49.340 133.033 1.00855.43 O ATOM 14776 C3* A B 743 -821.070 -50.547 132.405 1.00855.43 C ATOM 14777 O3* A B 743 -821.711 -51.202 131.321 1.00855.43 O ATOM 14778 C2* A B 743 -820.182 -51.489 133.208 1.00855.43 C ATOM 14779 O2* A B 743 -819.501 -52.423 132.395 1.00855.43 O ATOM 14780 C1* A B 743 -819.187 -50.512 133.836 1.00855.43 C ATOM 14781 N9 A B 743 -819.624 -50.131 135.174 1.00855.43 N ATOM 14782 C8 A B 743 -820.454 -49.098 135.534 1.00855.43 C ATOM 14783 N7 A B 743 -820.700 -49.040 136.819 1.00855.43 N ATOM 14784 C5 A B 743 -819.978 -50.104 137.343 1.00855.43 C ATOM 14785 C6 A B 743 -819.823 -50.585 138.653 1.00855.43 C ATOM 14786 N6 A B 743 -820.423 -50.043 139.716 1.00855.43 N ATOM 14787 N1 A B 743 -819.026 -51.662 138.834 1.00855.43 N ATOM 14788 C2 A B 743 -818.434 -52.208 137.764 1.00855.43 C ATOM 14789 N3 A B 743 -818.506 -51.850 136.489 1.00855.43 N ATOM 14790 C4 A B 743 -819.301 -50.777 136.342 1.00855.43 C ATOM 14791 P C B 744 -823.068 -52.026 131.593 1.00855.43 P ATOM 14792 O1P C B 744 -823.534 -52.561 130.288 1.00855.43 O ATOM 14793 O2P C B 744 -823.974 -51.170 132.401 1.00855.43 O ATOM 14794 O5* C B 744 -822.614 -53.253 132.504 1.00855.43 O ATOM 14795 C5* C B 744 -821.893 -54.351 131.950 1.00855.43 C ATOM 14796 C4* C B 744 -821.741 -55.457 132.973 1.00855.43 C ATOM 14797 O4* C B 744 -820.876 -54.993 134.046 1.00855.43 O ATOM 14798 C3* C B 744 -823.045 -55.824 133.662 1.00855.43 C ATOM 14799 O3* C B 744 -823.795 -56.809 132.963 1.00855.43 O ATOM 14800 C2* C B 744 -822.572 -56.356 135.009 1.00855.43 C ATOM 14801 O2* C B 744 -822.147 -57.703 134.946 1.00855.43 O ATOM 14802 C1* C B 744 -821.381 -55.445 135.293 1.00855.43 C ATOM 14803 N1 C B 744 -821.806 -54.277 136.076 1.00855.43 N ATOM 14804 C2 C B 744 -821.879 -54.391 137.466 1.00855.43 C ATOM 14805 O2 C B 744 -821.540 -55.459 137.998 1.00855.43 O ATOM 14806 N3 C B 744 -822.311 -53.335 138.195 1.00855.43 N ATOM 14807 C4 C B 744 -822.662 -52.201 137.585 1.00855.43 C ATOM 14808 N4 C B 744 -823.098 -51.193 138.343 1.00855.43 N ATOM 14809 C5 C B 744 -822.581 -52.053 136.168 1.00855.43 C ATOM 14810 C6 C B 744 -822.149 -53.106 135.460 1.00855.43 C ATOM 14811 P C B 745 -825.175 -56.388 132.247 1.00855.43 P ATOM 14812 O1P C B 745 -824.950 -56.455 130.782 1.00855.43 O ATOM 14813 O2P C B 745 -825.645 -55.122 132.862 1.00855.43 O ATOM 14814 O5* C B 745 -826.200 -57.544 132.649 1.00855.43 O ATOM 14815 C5* C B 745 -825.759 -58.894 132.771 1.00855.43 C ATOM 14816 C4* C B 745 -826.336 -59.547 134.009 1.00855.43 C ATOM 14817 O4* C B 745 -825.610 -59.128 135.197 1.00855.43 O ATOM 14818 C3* C B 745 -827.769 -59.129 134.235 1.00855.43 C ATOM 14819 O3* C B 745 -828.655 -60.027 133.583 1.00855.43 O ATOM 14820 C2* C B 745 -827.920 -59.235 135.749 1.00855.43 C ATOM 14821 O2* C B 745 -828.219 -60.554 136.170 1.00855.43 O ATOM 14822 C1* C B 745 -826.531 -58.838 136.236 1.00855.43 C ATOM 14823 N1 C B 745 -826.482 -57.399 136.533 1.00855.43 N ATOM 14824 C2 C B 745 -827.149 -56.916 137.671 1.00855.43 C ATOM 14825 O2 C B 745 -827.742 -57.718 138.412 1.00855.43 O ATOM 14826 N3 C B 745 -827.134 -55.588 137.927 1.00855.43 N ATOM 14827 C4 C B 745 -826.486 -54.758 137.102 1.00855.43 C ATOM 14828 N4 C B 745 -826.500 -53.456 137.388 1.00855.43 N ATOM 14829 C5 C B 745 -825.796 -55.227 135.950 1.00855.43 C ATOM 14830 C6 C B 745 -825.816 -56.542 135.707 1.00855.43 C ATOM 14831 P G B 746 -829.345 -59.591 132.195 1.00855.43 P ATOM 14832 O1P G B 746 -829.537 -60.826 131.395 1.00855.43 O ATOM 14833 O2P G B 746 -828.570 -58.460 131.621 1.00855.43 O ATOM 14834 O5* G B 746 -830.785 -59.050 132.622 1.00855.43 O ATOM 14835 C5* G B 746 -831.538 -59.709 133.639 1.00855.43 C ATOM 14836 C4* G B 746 -831.886 -58.755 134.765 1.00855.43 C ATOM 14837 O4* G B 746 -830.689 -58.178 135.354 1.00855.43 O ATOM 14838 C3* G B 746 -832.749 -57.575 134.376 1.00855.43 C ATOM 14839 O3* G B 746 -834.116 -57.958 134.407 1.00855.43 O ATOM 14840 C2* G B 746 -832.434 -56.552 135.466 1.00855.43 C ATOM 14841 O2* G B 746 -833.198 -56.759 136.637 1.00855.43 O ATOM 14842 C1* G B 746 -830.964 -56.849 135.766 1.00855.43 C ATOM 14843 N9 G B 746 -830.058 -55.935 135.078 1.00855.43 N ATOM 14844 C8 G B 746 -829.439 -56.128 133.868 1.00855.43 C ATOM 14845 N7 G B 746 -828.679 -55.127 133.515 1.00855.43 N ATOM 14846 C5 G B 746 -828.799 -54.217 134.556 1.00855.43 C ATOM 14847 C6 G B 746 -828.203 -52.942 134.738 1.00855.43 C ATOM 14848 O6 G B 746 -827.411 -52.345 133.995 1.00855.43 O ATOM 14849 N1 G B 746 -828.605 -52.355 135.933 1.00855.43 N ATOM 14850 C2 G B 746 -829.465 -52.921 136.840 1.00855.43 C ATOM 14851 N2 G B 746 -829.726 -52.194 137.932 1.00855.43 N ATOM 14852 N3 G B 746 -830.026 -54.108 136.682 1.00855.43 N ATOM 14853 C4 G B 746 -829.652 -54.698 135.527 1.00855.43 C ATOM 14854 P A B 747 -835.245 -56.904 133.962 1.00855.43 P ATOM 14855 O1P A B 747 -836.247 -57.651 133.162 1.00855.43 O ATOM 14856 O2P A B 747 -834.571 -55.719 133.374 1.00855.43 O ATOM 14857 O5* A B 747 -835.927 -56.469 135.333 1.00855.43 O ATOM 14858 C5* A B 747 -836.717 -57.396 136.070 1.00855.43 C ATOM 14859 C4* A B 747 -837.300 -56.746 137.304 1.00855.43 C ATOM 14860 O4* A B 747 -836.250 -56.406 138.246 1.00855.43 O ATOM 14861 C3* A B 747 -838.043 -55.450 137.069 1.00855.43 C ATOM 14862 O3* A B 747 -839.391 -55.718 136.692 1.00855.43 O ATOM 14863 C2* A B 747 -837.973 -54.765 138.430 1.00855.43 C ATOM 14864 O2* A B 747 -838.979 -55.218 139.317 1.00855.43 O ATOM 14865 C1* A B 747 -836.605 -55.222 138.944 1.00855.43 C ATOM 14866 N9 A B 747 -835.573 -54.211 138.732 1.00855.43 N ATOM 14867 C8 A B 747 -834.647 -54.118 137.722 1.00855.43 C ATOM 14868 N7 A B 747 -833.867 -53.071 137.817 1.00855.43 N ATOM 14869 C5 A B 747 -834.306 -52.429 138.968 1.00855.43 C ATOM 14870 C6 A B 747 -833.889 -51.252 139.615 1.00855.43 C ATOM 14871 N6 A B 747 -832.893 -50.478 139.179 1.00855.43 N ATOM 14872 N1 A B 747 -834.538 -50.893 140.744 1.00855.43 N ATOM 14873 C2 A B 747 -835.540 -51.668 141.180 1.00855.43 C ATOM 14874 N3 A B 747 -836.023 -52.793 140.659 1.00855.43 N ATOM 14875 C4 A B 747 -835.356 -53.122 139.540 1.00855.43 C ATOM 14876 P A B 748 -840.038 -54.929 135.451 1.00855.43 P ATOM 14877 O1P A B 748 -841.379 -55.522 135.204 1.00855.43 O ATOM 14878 O2P A B 748 -839.039 -54.888 134.352 1.00855.43 O ATOM 14879 O5* A B 748 -840.247 -53.448 135.997 1.00855.43 O ATOM 14880 C5* A B 748 -841.237 -53.173 136.985 1.00855.43 C ATOM 14881 C4* A B 748 -841.057 -51.784 137.555 1.00855.43 C ATOM 14882 O4* A B 748 -839.825 -51.703 138.322 1.00855.43 O ATOM 14883 C3* A B 748 -840.956 -50.672 136.533 1.00855.43 C ATOM 14884 O3* A B 748 -842.255 -50.226 136.160 1.00855.43 O ATOM 14885 C2* A B 748 -840.192 -49.587 137.283 1.00855.43 C ATOM 14886 O2* A B 748 -841.036 -48.793 138.096 1.00855.43 O ATOM 14887 C1* A B 748 -839.264 -50.411 138.179 1.00855.43 C ATOM 14888 N9 A B 748 -837.918 -50.530 137.618 1.00855.43 N ATOM 14889 C8 A B 748 -837.341 -51.602 136.988 1.00855.43 C ATOM 14890 N7 A B 748 -836.113 -51.376 136.579 1.00855.43 N ATOM 14891 C5 A B 748 -835.867 -50.068 136.971 1.00855.43 C ATOM 14892 C6 A B 748 -834.745 -49.229 136.833 1.00855.43 C ATOM 14893 N6 A B 748 -833.614 -49.599 136.229 1.00855.43 N ATOM 14894 N1 A B 748 -834.828 -47.980 137.343 1.00855.43 N ATOM 14895 C2 A B 748 -835.965 -47.608 137.944 1.00855.43 C ATOM 14896 N3 A B 748 -837.084 -48.300 138.135 1.00855.43 N ATOM 14897 C4 A B 748 -836.970 -49.536 137.617 1.00855.43 C ATOM 14898 P C B 749 -842.624 -50.070 134.602 1.00855.43 P ATOM 14899 O1P C B 749 -844.067 -49.733 134.518 1.00855.43 O ATOM 14900 O2P C B 749 -842.104 -51.260 133.881 1.00855.43 O ATOM 14901 O5* C B 749 -841.789 -48.800 134.128 1.00855.43 O ATOM 14902 C5* C B 749 -842.021 -47.509 134.690 1.00855.43 C ATOM 14903 C4* C B 749 -840.832 -46.614 134.442 1.00855.43 C ATOM 14904 O4* C B 749 -839.685 -47.152 135.152 1.00855.43 O ATOM 14905 C3* C B 749 -840.378 -46.537 133.000 1.00855.43 C ATOM 14906 O3* C B 749 -841.113 -45.538 132.307 1.00855.43 O ATOM 14907 C2* C B 749 -838.898 -46.194 133.121 1.00855.43 C ATOM 14908 O2* C B 749 -838.673 -44.810 133.302 1.00855.43 O ATOM 14909 C1* C B 749 -838.507 -46.956 134.391 1.00855.43 C ATOM 14910 N1 C B 749 -837.937 -48.281 134.097 1.00855.43 N ATOM 14911 C2 C B 749 -836.555 -48.415 133.946 1.00855.43 C ATOM 14912 O2 C B 749 -835.836 -47.411 134.056 1.00855.43 O ATOM 14913 N3 C B 749 -836.032 -49.636 133.679 1.00855.43 N ATOM 14914 C4 C B 749 -836.840 -50.694 133.566 1.00855.43 C ATOM 14915 N4 C B 749 -836.287 -51.880 133.302 1.00855.43 N ATOM 14916 C5 C B 749 -838.254 -50.585 133.713 1.00855.43 C ATOM 14917 C6 C B 749 -838.755 -49.374 133.978 1.00855.43 C ATOM 14918 P C B 750 -841.849 -45.914 130.927 1.00855.43 P ATOM 14919 O1P C B 750 -842.926 -44.918 130.708 1.00855.43 O ATOM 14920 O2P C B 750 -842.182 -47.362 130.956 1.00855.43 O ATOM 14921 O5* C B 750 -840.722 -45.684 129.824 1.00855.43 O ATOM 14922 C5* C B 750 -840.404 -44.368 129.379 1.00855.43 C ATOM 14923 C4* C B 750 -839.376 -44.416 128.272 1.00855.43 C ATOM 14924 O4* C B 750 -838.135 -44.986 128.765 1.00855.43 O ATOM 14925 C3* C B 750 -839.774 -45.288 127.088 1.00855.43 C ATOM 14926 O3* C B 750 -840.570 -44.590 126.140 1.00855.43 O ATOM 14927 C2* C B 750 -838.424 -45.698 126.508 1.00855.43 C ATOM 14928 O2* C B 750 -837.881 -44.707 125.657 1.00855.43 O ATOM 14929 C1* C B 750 -837.561 -45.815 127.766 1.00855.43 C ATOM 14930 N1 C B 750 -837.505 -47.193 128.276 1.00855.43 N ATOM 14931 C2 C B 750 -836.457 -48.027 127.865 1.00855.43 C ATOM 14932 O2 C B 750 -835.601 -47.581 127.083 1.00855.43 O ATOM 14933 N3 C B 750 -836.406 -49.298 128.323 1.00855.43 N ATOM 14934 C4 C B 750 -837.347 -49.744 129.159 1.00855.43 C ATOM 14935 N4 C B 750 -837.256 -51.004 129.589 1.00855.43 N ATOM 14936 C5 C B 750 -838.422 -48.916 129.593 1.00855.43 C ATOM 14937 C6 C B 750 -838.463 -47.662 129.132 1.00855.43 C ATOM 14938 P G B 751 -841.714 -45.379 125.334 1.00855.43 P ATOM 14939 O1P G B 751 -842.555 -44.372 124.637 1.00855.43 O ATOM 14940 O2P G B 751 -842.352 -46.352 126.258 1.00855.43 O ATOM 14941 O5* G B 751 -840.907 -46.198 124.233 1.00855.43 O ATOM 14942 C5* G B 751 -840.111 -45.529 123.261 1.00855.43 C ATOM 14943 C4* G B 751 -839.049 -46.461 122.726 1.00855.43 C ATOM 14944 O4* G B 751 -838.249 -46.979 123.816 1.00855.43 O ATOM 14945 C3* G B 751 -839.519 -47.711 121.983 1.00855.43 C ATOM 14946 O3* G B 751 -839.861 -47.421 120.631 1.00855.43 O ATOM 14947 C2* G B 751 -838.316 -48.642 122.100 1.00855.43 C ATOM 14948 O2* G B 751 -837.345 -48.406 121.100 1.00855.43 O ATOM 14949 C1* G B 751 -837.740 -48.255 123.468 1.00855.43 C ATOM 14950 N9 G B 751 -838.032 -49.186 124.557 1.00855.43 N ATOM 14951 C8 G B 751 -838.925 -49.001 125.589 1.00855.43 C ATOM 14952 N7 G B 751 -838.935 -49.990 126.441 1.00855.43 N ATOM 14953 C5 G B 751 -838.002 -50.890 125.938 1.00855.43 C ATOM 14954 C6 G B 751 -837.560 -52.158 126.441 1.00855.43 C ATOM 14955 O6 G B 751 -837.906 -52.759 127.464 1.00855.43 O ATOM 14956 N1 G B 751 -836.606 -52.730 125.608 1.00855.43 N ATOM 14957 C2 G B 751 -836.127 -52.168 124.455 1.00855.43 C ATOM 14958 N2 G B 751 -835.211 -52.886 123.791 1.00855.43 N ATOM 14959 N3 G B 751 -836.514 -50.994 123.984 1.00855.43 N ATOM 14960 C4 G B 751 -837.445 -50.414 124.769 1.00855.43 C ATOM 14961 P G B 752 -840.370 -48.598 119.666 1.00855.43 P ATOM 14962 O1P G B 752 -840.949 -47.960 118.457 1.00855.43 O ATOM 14963 O2P G B 752 -841.192 -49.537 120.463 1.00855.43 O ATOM 14964 O5* G B 752 -839.028 -49.338 119.238 1.00855.43 O ATOM 14965 C5* G B 752 -839.064 -50.659 118.715 1.00855.43 C ATOM 14966 C4* G B 752 -837.919 -51.472 119.279 1.00855.43 C ATOM 14967 O4* G B 752 -838.006 -51.494 120.721 1.00855.43 O ATOM 14968 C3* G B 752 -837.830 -52.932 118.841 1.00855.43 C ATOM 14969 O3* G B 752 -837.118 -53.054 117.607 1.00855.43 O ATOM 14970 C2* G B 752 -837.092 -53.585 120.009 1.00855.43 C ATOM 14971 O2* G B 752 -835.686 -53.488 119.888 1.00855.43 O ATOM 14972 C1* G B 752 -837.550 -52.742 121.204 1.00855.43 C ATOM 14973 N9 G B 752 -838.592 -53.321 122.044 1.00855.43 N ATOM 14974 C8 G B 752 -839.891 -52.885 122.171 1.00855.43 C ATOM 14975 N7 G B 752 -840.583 -53.578 123.036 1.00855.43 N ATOM 14976 C5 G B 752 -839.690 -54.532 123.503 1.00855.43 C ATOM 14977 C6 G B 752 -839.868 -55.560 124.467 1.00855.43 C ATOM 14978 O6 G B 752 -840.877 -55.837 125.119 1.00855.43 O ATOM 14979 N1 G B 752 -838.706 -56.305 124.635 1.00855.43 N ATOM 14980 C2 G B 752 -837.525 -56.090 123.972 1.00855.43 C ATOM 14981 N2 G B 752 -836.516 -56.918 124.274 1.00855.43 N ATOM 14982 N3 G B 752 -837.343 -55.130 123.078 1.00855.43 N ATOM 14983 C4 G B 752 -838.460 -54.395 122.895 1.00855.43 C ATOM 14984 P U B 753 -837.104 -54.463 116.829 1.00855.43 P ATOM 14985 O1P U B 753 -837.437 -54.192 115.408 1.00855.43 O ATOM 14986 O2P U B 753 -837.918 -55.435 117.601 1.00855.43 O ATOM 14987 O5* U B 753 -835.579 -54.930 116.889 1.00855.43 O ATOM 14988 C5* U B 753 -834.811 -55.094 115.694 1.00855.43 C ATOM 14989 C4* U B 753 -834.368 -56.531 115.543 1.00855.43 C ATOM 14990 O4* U B 753 -833.706 -56.951 116.766 1.00855.43 O ATOM 14991 C3* U B 753 -835.481 -57.536 115.354 1.00855.43 C ATOM 14992 O3* U B 753 -835.813 -57.654 113.973 1.00855.43 O ATOM 14993 C2* U B 753 -834.876 -58.828 115.887 1.00855.43 C ATOM 14994 O2* U B 753 -834.068 -59.482 114.932 1.00855.43 O ATOM 14995 C1* U B 753 -834.009 -58.309 117.038 1.00855.43 C ATOM 14996 N1 U B 753 -834.705 -58.362 118.330 1.00855.43 N ATOM 14997 C2 U B 753 -834.505 -59.470 119.142 1.00855.43 C ATOM 14998 O2 U B 753 -833.763 -60.387 118.837 1.00855.43 O ATOM 14999 N3 U B 753 -835.212 -59.455 120.327 1.00855.43 N ATOM 15000 C4 U B 753 -836.073 -58.466 120.764 1.00855.43 C ATOM 15001 O4 U B 753 -836.664 -58.609 121.834 1.00855.43 O ATOM 15002 C5 U B 753 -836.211 -57.357 119.872 1.00855.43 C ATOM 15003 C6 U B 753 -835.541 -57.344 118.719 1.00855.43 C ATOM 15004 P G B 754 -837.248 -58.237 113.547 1.00855.43 P ATOM 15005 O1P G B 754 -837.350 -58.129 112.069 1.00855.43 O ATOM 15006 O2P G B 754 -838.288 -57.610 114.399 1.00855.43 O ATOM 15007 O5* G B 754 -837.167 -59.782 113.922 1.00855.43 O ATOM 15008 C5* G B 754 -836.622 -60.731 113.008 1.00855.43 C ATOM 15009 C4* G B 754 -836.755 -62.128 113.562 1.00855.43 C ATOM 15010 O4* G B 754 -836.120 -62.208 114.864 1.00855.43 O ATOM 15011 C3* G B 754 -838.171 -62.638 113.785 1.00855.43 C ATOM 15012 O3* G B 754 -838.729 -63.170 112.590 1.00855.43 O ATOM 15013 C2* G B 754 -837.980 -63.698 114.864 1.00855.43 C ATOM 15014 O2* G B 754 -837.571 -64.947 114.340 1.00855.43 O ATOM 15015 C1* G B 754 -836.848 -63.092 115.699 1.00855.43 C ATOM 15016 N9 G B 754 -837.351 -62.337 116.843 1.00855.43 N ATOM 15017 C8 G B 754 -837.502 -60.972 116.936 1.00855.43 C ATOM 15018 N7 G B 754 -837.996 -60.588 118.083 1.00855.43 N ATOM 15019 C5 G B 754 -838.178 -61.768 118.791 1.00855.43 C ATOM 15020 C6 G B 754 -838.688 -61.990 120.101 1.00855.43 C ATOM 15021 O6 G B 754 -839.097 -61.159 120.923 1.00855.43 O ATOM 15022 N1 G B 754 -838.698 -63.344 120.423 1.00855.43 N ATOM 15023 C2 G B 754 -838.277 -64.355 119.597 1.00855.43 C ATOM 15024 N2 G B 754 -838.361 -65.595 120.094 1.00855.43 N ATOM 15025 N3 G B 754 -837.803 -64.164 118.376 1.00855.43 N ATOM 15026 C4 G B 754 -837.782 -62.856 118.043 1.00855.43 C ATOM 15027 P C B 755 -840.323 -63.329 112.462 1.00855.43 P ATOM 15028 O1P C B 755 -840.627 -63.603 111.035 1.00855.43 O ATOM 15029 O2P C B 755 -840.969 -62.178 113.144 1.00855.43 O ATOM 15030 O5* C B 755 -840.644 -64.648 113.297 1.00855.43 O ATOM 15031 C5* C B 755 -840.453 -65.926 112.708 1.00855.43 C ATOM 15032 C4* C B 755 -840.964 -67.025 113.613 1.00855.43 C ATOM 15033 O4* C B 755 -840.303 -66.966 114.899 1.00855.43 O ATOM 15034 C3* C B 755 -842.456 -67.047 113.932 1.00855.43 C ATOM 15035 O3* C B 755 -843.231 -67.676 112.914 1.00855.43 O ATOM 15036 C2* C B 755 -842.492 -67.866 115.221 1.00855.43 C ATOM 15037 O2* C B 755 -842.468 -69.257 114.978 1.00855.43 O ATOM 15038 C1* C B 755 -841.180 -67.457 115.896 1.00855.43 C ATOM 15039 N1 C B 755 -841.352 -66.417 116.918 1.00855.43 N ATOM 15040 C2 C B 755 -841.883 -66.783 118.159 1.00855.43 C ATOM 15041 O2 C B 755 -842.185 -67.971 118.356 1.00855.43 O ATOM 15042 N3 C B 755 -842.054 -65.837 119.109 1.00855.43 N ATOM 15043 C4 C B 755 -841.718 -64.570 118.857 1.00855.43 C ATOM 15044 N4 C B 755 -841.907 -63.671 119.822 1.00855.43 N ATOM 15045 C5 C B 755 -841.171 -64.173 117.601 1.00855.43 C ATOM 15046 C6 C B 755 -841.007 -65.119 116.670 1.00855.43 C ATOM 15047 P C B 756 -844.801 -67.343 112.783 1.00855.43 P ATOM 15048 O1P C B 756 -845.357 -68.217 111.722 1.00855.43 O ATOM 15049 O2P C B 756 -844.960 -65.868 112.676 1.00855.43 O ATOM 15050 O5* C B 756 -845.418 -67.809 114.175 1.00855.43 O ATOM 15051 C5* C B 756 -845.475 -69.191 114.521 1.00855.43 C ATOM 15052 C4* C B 756 -845.819 -69.347 115.982 1.00855.43 C ATOM 15053 O4* C B 756 -844.847 -68.632 116.788 1.00855.43 O ATOM 15054 C3* C B 756 -847.172 -68.756 116.367 1.00855.43 C ATOM 15055 O3* C B 756 -848.212 -69.708 116.182 1.00855.43 O ATOM 15056 C2* C B 756 -846.979 -68.393 117.834 1.00855.43 C ATOM 15057 O2* C B 756 -847.189 -69.491 118.699 1.00855.43 O ATOM 15058 C1* C B 756 -845.502 -67.991 117.869 1.00855.43 C ATOM 15059 N1 C B 756 -845.280 -66.540 117.755 1.00855.43 N ATOM 15060 C2 C B 756 -845.183 -65.780 118.925 1.00855.43 C ATOM 15061 O2 C B 756 -845.300 -66.347 120.019 1.00855.43 O ATOM 15062 N3 C B 756 -844.967 -64.448 118.831 1.00855.43 N ATOM 15063 C4 C B 756 -844.849 -63.875 117.631 1.00855.43 C ATOM 15064 N4 C B 756 -844.632 -62.557 117.587 1.00855.43 N ATOM 15065 C5 C B 756 -844.948 -64.624 116.425 1.00855.43 C ATOM 15066 C6 C B 756 -845.161 -65.944 116.530 1.00855.43 C ATOM 15067 P U B 757 -849.137 -69.641 114.870 1.00855.43 P ATOM 15068 O1P U B 757 -849.086 -70.972 114.219 1.00855.43 O ATOM 15069 O2P U B 757 -848.753 -68.433 114.094 1.00855.43 O ATOM 15070 O5* U B 757 -850.605 -69.422 115.445 1.00855.43 O ATOM 15071 C5* U B 757 -851.120 -70.270 116.467 1.00855.43 C ATOM 15072 C4* U B 757 -851.855 -69.453 117.497 1.00855.43 C ATOM 15073 O4* U B 757 -850.973 -68.423 118.012 1.00855.43 O ATOM 15074 C3* U B 757 -853.078 -68.709 116.993 1.00855.43 C ATOM 15075 O3* U B 757 -854.214 -69.563 117.069 1.00855.43 O ATOM 15076 C2* U B 757 -853.179 -67.525 117.947 1.00855.43 C ATOM 15077 O2* U B 757 -853.853 -67.849 119.148 1.00855.43 O ATOM 15078 C1* U B 757 -851.705 -67.237 118.251 1.00855.43 C ATOM 15079 N1 U B 757 -851.137 -66.169 117.417 1.00855.43 N ATOM 15080 C2 U B 757 -851.658 -64.896 117.560 1.00855.43 C ATOM 15081 O2 U B 757 -852.566 -64.636 118.334 1.00855.43 O ATOM 15082 N3 U B 757 -851.080 -63.938 116.764 1.00855.43 N ATOM 15083 C4 U B 757 -850.053 -64.125 115.858 1.00855.43 C ATOM 15084 O4 U B 757 -849.627 -63.160 115.225 1.00855.43 O ATOM 15085 C5 U B 757 -849.575 -65.471 115.765 1.00855.43 C ATOM 15086 C6 U B 757 -850.120 -66.421 116.532 1.00855.43 C ATOM 15087 P G B 758 -855.461 -69.320 116.084 1.00855.43 P ATOM 15088 O1P G B 758 -856.697 -69.527 116.883 1.00855.43 O ATOM 15089 O2P G B 758 -855.247 -70.115 114.846 1.00855.43 O ATOM 15090 O5* G B 758 -855.361 -67.774 115.721 1.00855.43 O ATOM 15091 C5* G B 758 -856.104 -66.815 116.467 1.00855.43 C ATOM 15092 C4* G B 758 -855.946 -65.436 115.878 1.00855.43 C ATOM 15093 O4* G B 758 -854.560 -65.010 115.936 1.00855.43 O ATOM 15094 C3* G B 758 -856.348 -65.266 114.425 1.00855.43 C ATOM 15095 O3* G B 758 -857.752 -65.079 114.289 1.00855.43 O ATOM 15096 C2* G B 758 -855.582 -64.009 114.026 1.00855.43 C ATOM 15097 O2* G B 758 -856.253 -62.823 114.396 1.00855.43 O ATOM 15098 C1* G B 758 -854.303 -64.131 114.858 1.00855.43 C ATOM 15099 N9 G B 758 -853.168 -64.614 114.079 1.00855.43 N ATOM 15100 C8 G B 758 -852.609 -65.870 114.080 1.00855.43 C ATOM 15101 N7 G B 758 -851.616 -65.986 113.236 1.00855.43 N ATOM 15102 C5 G B 758 -851.510 -64.731 112.655 1.00855.43 C ATOM 15103 C6 G B 758 -850.617 -64.243 111.660 1.00855.43 C ATOM 15104 O6 G B 758 -849.713 -64.847 111.070 1.00855.43 O ATOM 15105 N1 G B 758 -850.862 -62.903 111.366 1.00855.43 N ATOM 15106 C2 G B 758 -851.835 -62.134 111.949 1.00855.43 C ATOM 15107 N2 G B 758 -851.912 -60.863 111.537 1.00855.43 N ATOM 15108 N3 G B 758 -852.675 -62.576 112.870 1.00855.43 N ATOM 15109 C4 G B 758 -852.456 -63.871 113.172 1.00855.43 C ATOM 15110 P C B 759 -858.386 -64.846 112.830 1.00855.43 P ATOM 15111 O1P C B 759 -859.820 -65.222 112.912 1.00855.43 O ATOM 15112 O2P C B 759 -857.507 -65.510 111.833 1.00855.43 O ATOM 15113 O5* C B 759 -858.292 -63.272 112.607 1.00855.43 O ATOM 15114 C5* C B 759 -858.574 -62.699 111.332 1.00855.43 C ATOM 15115 C4* C B 759 -857.847 -61.385 111.170 1.00855.43 C ATOM 15116 O4* C B 759 -856.440 -61.587 111.434 1.00855.43 O ATOM 15117 C3* C B 759 -857.924 -60.819 109.763 1.00855.43 C ATOM 15118 O3* C B 759 -859.072 -59.977 109.659 1.00855.43 O ATOM 15119 C2* C B 759 -856.629 -60.018 109.636 1.00855.43 C ATOM 15120 O2* C B 759 -856.759 -58.700 110.128 1.00855.43 O ATOM 15121 C1* C B 759 -855.674 -60.795 110.551 1.00855.43 C ATOM 15122 N1 C B 759 -854.693 -61.666 109.891 1.00855.43 N ATOM 15123 C2 C B 759 -853.741 -61.084 109.047 1.00855.43 C ATOM 15124 O2 C B 759 -853.775 -59.859 108.861 1.00855.43 O ATOM 15125 N3 C B 759 -852.809 -61.869 108.463 1.00855.43 N ATOM 15126 C4 C B 759 -852.804 -63.181 108.690 1.00855.43 C ATOM 15127 N4 C B 759 -851.859 -63.918 108.097 1.00855.43 N ATOM 15128 C5 C B 759 -853.769 -63.806 109.536 1.00855.43 C ATOM 15129 C6 C B 759 -854.689 -63.016 110.109 1.00855.43 C ATOM 15130 P U B 760 -860.472 -60.577 109.151 1.00855.43 P ATOM 15131 O1P U B 760 -860.186 -61.827 108.409 1.00855.43 O ATOM 15132 O2P U B 760 -861.221 -59.481 108.478 1.00855.43 O ATOM 15133 O5* U B 760 -861.244 -60.938 110.501 1.00855.43 O ATOM 15134 C5* U B 760 -861.053 -60.152 111.679 1.00855.43 C ATOM 15135 C4* U B 760 -862.349 -60.020 112.447 1.00855.43 C ATOM 15136 O4* U B 760 -863.281 -59.198 111.702 1.00855.43 O ATOM 15137 C3* U B 760 -863.107 -61.311 112.749 1.00855.43 C ATOM 15138 O3* U B 760 -862.634 -61.949 113.934 1.00855.43 O ATOM 15139 C2* U B 760 -864.544 -60.825 112.914 1.00855.43 C ATOM 15140 O2* U B 760 -864.810 -60.341 114.211 1.00855.43 O ATOM 15141 C1* U B 760 -864.605 -59.648 111.936 1.00855.43 C ATOM 15142 N1 U B 760 -865.221 -59.975 110.645 1.00855.43 N ATOM 15143 C2 U B 760 -866.601 -59.986 110.566 1.00855.43 C ATOM 15144 O2 U B 760 -867.318 -59.734 111.517 1.00855.43 O ATOM 15145 N3 U B 760 -867.106 -60.300 109.331 1.00855.43 N ATOM 15146 C4 U B 760 -866.388 -60.599 108.195 1.00855.43 C ATOM 15147 O4 U B 760 -866.981 -60.864 107.149 1.00855.43 O ATOM 15148 C5 U B 760 -864.982 -60.563 108.365 1.00855.43 C ATOM 15149 C6 U B 760 -864.455 -60.264 109.555 1.00855.43 C ATOM 15150 P G B 761 -863.024 -63.478 114.239 1.00855.43 P ATOM 15151 O1P G B 761 -862.320 -64.331 113.247 1.00855.43 O ATOM 15152 O2P G B 761 -864.499 -63.571 114.370 1.00855.43 O ATOM 15153 O5* G B 761 -862.393 -63.767 115.673 1.00855.43 O ATOM 15154 C5* G B 761 -861.278 -64.636 115.806 1.00855.43 C ATOM 15155 C4* G B 761 -860.044 -63.874 116.243 1.00855.43 C ATOM 15156 O4* G B 761 -859.591 -62.986 115.194 1.00855.43 O ATOM 15157 C3* G B 761 -860.209 -62.965 117.439 1.00855.43 C ATOM 15158 O3* G B 761 -860.076 -63.720 118.640 1.00855.43 O ATOM 15159 C2* G B 761 -859.015 -62.020 117.296 1.00855.43 C ATOM 15160 O2* G B 761 -857.852 -62.535 117.910 1.00855.43 O ATOM 15161 C1* G B 761 -858.783 -61.985 115.779 1.00855.43 C ATOM 15162 N9 G B 761 -859.054 -60.697 115.149 1.00855.43 N ATOM 15163 C8 G B 761 -860.242 -60.021 115.147 1.00855.43 C ATOM 15164 N7 G B 761 -860.175 -58.865 114.544 1.00855.43 N ATOM 15165 C5 G B 761 -858.861 -58.778 114.110 1.00855.43 C ATOM 15166 C6 G B 761 -858.199 -57.749 113.387 1.00855.43 C ATOM 15167 O6 G B 761 -858.661 -56.680 112.970 1.00855.43 O ATOM 15168 N1 G B 761 -856.868 -58.064 113.156 1.00855.43 N ATOM 15169 C2 G B 761 -856.249 -59.218 113.562 1.00855.43 C ATOM 15170 N2 G B 761 -854.953 -59.326 113.249 1.00855.43 N ATOM 15171 N3 G B 761 -856.856 -60.191 114.230 1.00855.43 N ATOM 15172 C4 G B 761 -858.153 -59.905 114.467 1.00855.43 C ATOM 15173 P A B 762 -860.626 -63.129 120.032 1.00855.43 P ATOM 15174 O1P A B 762 -859.439 -62.873 120.888 1.00855.43 O ATOM 15175 O2P A B 762 -861.709 -64.014 120.527 1.00855.43 O ATOM 15176 O5* A B 762 -861.256 -61.714 119.666 1.00855.43 O ATOM 15177 C5* A B 762 -862.224 -61.112 120.521 1.00855.43 C ATOM 15178 C4* A B 762 -861.611 -59.954 121.272 1.00855.43 C ATOM 15179 O4* A B 762 -860.472 -60.417 122.037 1.00855.43 O ATOM 15180 C3* A B 762 -861.075 -58.842 120.395 1.00855.43 C ATOM 15181 O3* A B 762 -862.124 -57.935 120.084 1.00855.43 O ATOM 15182 C2* A B 762 -859.989 -58.211 121.260 1.00855.43 C ATOM 15183 O2* A B 762 -860.497 -57.235 122.140 1.00855.43 O ATOM 15184 C1* A B 762 -859.473 -59.414 122.061 1.00855.43 C ATOM 15185 N9 A B 762 -858.234 -59.990 121.542 1.00855.43 N ATOM 15186 C8 A B 762 -857.985 -60.420 120.262 1.00855.43 C ATOM 15187 N7 A B 762 -856.784 -60.910 120.091 1.00855.43 N ATOM 15188 C5 A B 762 -856.196 -60.793 121.342 1.00855.43 C ATOM 15189 C6 A B 762 -854.922 -61.136 121.823 1.00855.43 C ATOM 15190 N6 A B 762 -853.969 -61.693 121.070 1.00855.43 N ATOM 15191 N1 A B 762 -854.653 -60.890 123.125 1.00855.43 N ATOM 15192 C2 A B 762 -855.609 -60.335 123.880 1.00855.43 C ATOM 15193 N3 A B 762 -856.846 -59.968 123.545 1.00855.43 N ATOM 15194 C4 A B 762 -857.079 -60.227 122.247 1.00855.43 C ATOM 15195 P A B 763 -862.799 -57.961 118.629 1.00855.43 P ATOM 15196 O1P A B 763 -864.194 -58.443 118.790 1.00855.43 O ATOM 15197 O2P A B 763 -861.878 -58.674 117.705 1.00855.43 O ATOM 15198 O5* A B 763 -862.843 -56.428 118.204 1.00855.43 O ATOM 15199 C5* A B 763 -863.151 -55.409 119.152 1.00855.43 C ATOM 15200 C4* A B 763 -861.912 -54.608 119.469 1.00855.43 C ATOM 15201 O4* A B 763 -860.876 -55.514 119.920 1.00855.43 O ATOM 15202 C3* A B 763 -861.295 -53.854 118.304 1.00855.43 C ATOM 15203 O3* A B 763 -861.903 -52.574 118.138 1.00855.43 O ATOM 15204 C2* A B 763 -859.829 -53.748 118.711 1.00855.43 C ATOM 15205 O2* A B 763 -859.588 -52.668 119.587 1.00855.43 O ATOM 15206 C1* A B 763 -859.615 -55.064 119.468 1.00855.43 C ATOM 15207 N9 A B 763 -859.028 -56.119 118.643 1.00855.43 N ATOM 15208 C8 A B 763 -859.500 -56.612 117.453 1.00855.43 C ATOM 15209 N7 A B 763 -858.757 -57.561 116.944 1.00855.43 N ATOM 15210 C5 A B 763 -857.723 -57.702 117.855 1.00855.43 C ATOM 15211 C6 A B 763 -856.601 -58.543 117.887 1.00855.43 C ATOM 15212 N6 A B 763 -856.313 -59.437 116.939 1.00855.43 N ATOM 15213 N1 A B 763 -855.763 -58.432 118.941 1.00855.43 N ATOM 15214 C2 A B 763 -856.047 -57.531 119.890 1.00855.43 C ATOM 15215 N3 A B 763 -857.068 -56.685 119.970 1.00855.43 N ATOM 15216 C4 A B 763 -857.879 -56.823 118.909 1.00855.43 C ATOM 15217 P A B 764 -862.349 -52.070 116.671 1.00855.43 P ATOM 15218 O1P A B 764 -863.435 -51.080 116.875 1.00855.43 O ATOM 15219 O2P A B 764 -862.591 -53.238 115.800 1.00855.43 O ATOM 15220 O5* A B 764 -861.078 -51.287 116.105 1.00855.43 O ATOM 15221 C5* A B 764 -859.863 -51.973 115.817 1.00855.43 C ATOM 15222 C4* A B 764 -859.313 -51.537 114.472 1.00855.43 C ATOM 15223 O4* A B 764 -860.359 -51.602 113.472 1.00855.43 O ATOM 15224 C3* A B 764 -858.775 -50.133 114.354 1.00855.43 C ATOM 15225 O3* A B 764 -857.428 -50.109 114.801 1.00855.43 O ATOM 15226 C2* A B 764 -858.864 -49.857 112.858 1.00855.43 C ATOM 15227 O2* A B 764 -857.762 -50.380 112.144 1.00855.43 O ATOM 15228 C1* A B 764 -860.135 -50.618 112.477 1.00855.43 C ATOM 15229 N9 A B 764 -861.323 -49.770 112.402 1.00855.43 N ATOM 15230 C8 A B 764 -861.414 -48.522 111.838 1.00855.43 C ATOM 15231 N7 A B 764 -862.612 -47.996 111.904 1.00855.43 N ATOM 15232 C5 A B 764 -863.362 -48.964 112.558 1.00855.43 C ATOM 15233 C6 A B 764 -864.714 -49.013 112.938 1.00855.43 C ATOM 15234 N6 A B 764 -865.588 -48.034 112.694 1.00855.43 N ATOM 15235 N1 A B 764 -865.144 -50.119 113.583 1.00855.43 N ATOM 15236 C2 A B 764 -864.269 -51.102 113.820 1.00855.43 C ATOM 15237 N3 A B 764 -862.978 -51.174 113.512 1.00855.43 N ATOM 15238 C4 A B 764 -862.581 -50.058 112.875 1.00855.43 C ATOM 15239 P C B 765 -857.034 -49.205 116.069 1.00855.43 P ATOM 15240 O1P C B 765 -857.960 -49.580 117.169 1.00855.43 O ATOM 15241 O2P C B 765 -856.942 -47.789 115.636 1.00855.43 O ATOM 15242 O5* C B 765 -855.581 -49.722 116.454 1.00855.43 O ATOM 15243 C5* C B 765 -855.123 -49.589 117.792 1.00855.43 C ATOM 15244 C4* C B 765 -855.074 -50.929 118.480 1.00855.43 C ATOM 15245 O4* C B 765 -856.185 -51.752 118.044 1.00855.43 O ATOM 15246 C3* C B 765 -853.807 -51.747 118.249 1.00855.43 C ATOM 15247 O3* C B 765 -852.770 -51.346 119.151 1.00855.43 O ATOM 15248 C2* C B 765 -854.315 -53.177 118.456 1.00855.43 C ATOM 15249 O2* C B 765 -854.384 -53.554 119.811 1.00855.43 O ATOM 15250 C1* C B 765 -855.749 -53.092 117.933 1.00855.43 C ATOM 15251 N1 C B 765 -855.934 -53.579 116.555 1.00855.43 N ATOM 15252 C2 C B 765 -855.822 -54.955 116.325 1.00855.43 C ATOM 15253 O2 C B 765 -855.565 -55.701 117.282 1.00855.43 O ATOM 15254 N3 C B 765 -855.991 -55.437 115.075 1.00855.43 N ATOM 15255 C4 C B 765 -856.267 -54.600 114.072 1.00855.43 C ATOM 15256 N4 C B 765 -856.424 -55.121 112.853 1.00855.43 N ATOM 15257 C5 C B 765 -856.387 -53.192 114.276 1.00855.43 C ATOM 15258 C6 C B 765 -856.217 -52.729 115.522 1.00855.43 C ATOM 15259 P A B 766 -851.496 -52.296 119.414 1.00855.43 P ATOM 15260 O1P A B 766 -850.409 -51.420 119.911 1.00855.43 O ATOM 15261 O2P A B 766 -851.250 -53.165 118.234 1.00855.43 O ATOM 15262 O5* A B 766 -851.986 -53.205 120.628 1.00855.43 O ATOM 15263 C5* A B 766 -851.135 -54.191 121.204 1.00855.43 C ATOM 15264 C4* A B 766 -851.951 -55.368 121.684 1.00855.43 C ATOM 15265 O4* A B 766 -852.577 -56.022 120.551 1.00855.43 O ATOM 15266 C3* A B 766 -851.166 -56.464 122.363 1.00855.43 C ATOM 15267 O3* A B 766 -850.955 -56.145 123.731 1.00855.43 O ATOM 15268 C2* A B 766 -852.037 -57.694 122.150 1.00855.43 C ATOM 15269 O2* A B 766 -853.091 -57.788 123.087 1.00855.43 O ATOM 15270 C1* A B 766 -852.614 -57.421 120.757 1.00855.43 C ATOM 15271 N9 A B 766 -851.826 -58.031 119.687 1.00855.43 N ATOM 15272 C8 A B 766 -850.598 -57.606 119.246 1.00855.43 C ATOM 15273 N7 A B 766 -850.098 -58.335 118.283 1.00855.43 N ATOM 15274 C5 A B 766 -851.061 -59.311 118.070 1.00855.43 C ATOM 15275 C6 A B 766 -851.125 -60.393 117.178 1.00855.43 C ATOM 15276 N6 A B 766 -850.166 -60.679 116.298 1.00855.43 N ATOM 15277 N1 A B 766 -852.222 -61.179 117.220 1.00855.43 N ATOM 15278 C2 A B 766 -853.186 -60.885 118.103 1.00855.43 C ATOM 15279 N3 A B 766 -853.242 -59.896 118.994 1.00855.43 N ATOM 15280 C4 A B 766 -852.136 -59.135 118.928 1.00855.43 C ATOM 15281 P G B 767 -849.719 -56.803 124.516 1.00855.43 P ATOM 15282 O1P G B 767 -849.837 -56.422 125.946 1.00855.43 O ATOM 15283 O2P G B 767 -848.474 -56.482 123.771 1.00855.43 O ATOM 15284 O5* G B 767 -849.984 -58.365 124.386 1.00855.43 O ATOM 15285 C5* G B 767 -850.908 -59.023 125.249 1.00855.43 C ATOM 15286 C4* G B 767 -850.650 -60.508 125.237 1.00855.43 C ATOM 15287 O4* G B 767 -850.972 -61.042 123.929 1.00855.43 O ATOM 15288 C3* G B 767 -849.203 -60.883 125.454 1.00855.43 C ATOM 15289 O3* G B 767 -848.901 -60.921 126.843 1.00855.43 O ATOM 15290 C2* G B 767 -849.089 -62.235 124.765 1.00855.43 C ATOM 15291 O2* G B 767 -849.537 -63.301 125.578 1.00855.43 O ATOM 15292 C1* G B 767 -850.040 -62.051 123.579 1.00855.43 C ATOM 15293 N9 G B 767 -849.349 -61.613 122.371 1.00855.43 N ATOM 15294 C8 G B 767 -849.132 -60.315 121.975 1.00855.43 C ATOM 15295 N7 G B 767 -848.480 -60.229 120.845 1.00855.43 N ATOM 15296 C5 G B 767 -848.254 -61.543 120.477 1.00855.43 C ATOM 15297 C6 G B 767 -847.591 -62.080 119.340 1.00855.43 C ATOM 15298 O6 G B 767 -847.057 -61.474 118.404 1.00855.43 O ATOM 15299 N1 G B 767 -847.588 -63.470 119.361 1.00855.43 N ATOM 15300 C2 G B 767 -848.144 -64.248 120.346 1.00855.43 C ATOM 15301 N2 G B 767 -848.031 -65.574 120.190 1.00855.43 N ATOM 15302 N3 G B 767 -848.769 -63.763 121.407 1.00855.43 N ATOM 15303 C4 G B 767 -848.783 -62.415 121.409 1.00855.43 C ATOM 15304 P U B 768 -847.371 -60.837 127.318 1.00855.43 P ATOM 15305 O1P U B 768 -847.368 -60.660 128.791 1.00855.43 O ATOM 15306 O2P U B 768 -846.669 -59.849 126.460 1.00855.43 O ATOM 15307 O5* U B 768 -846.794 -62.284 126.986 1.00855.43 O ATOM 15308 C5* U B 768 -847.202 -63.416 127.749 1.00855.43 C ATOM 15309 C4* U B 768 -846.514 -64.666 127.260 1.00855.43 C ATOM 15310 O4* U B 768 -846.964 -65.000 125.919 1.00855.43 O ATOM 15311 C3* U B 768 -845.002 -64.556 127.157 1.00855.43 C ATOM 15312 O3* U B 768 -844.367 -64.824 128.401 1.00855.43 O ATOM 15313 C2* U B 768 -844.666 -65.611 126.105 1.00855.43 C ATOM 15314 O2* U B 768 -844.572 -66.910 126.652 1.00855.43 O ATOM 15315 C1* U B 768 -845.882 -65.532 125.178 1.00855.43 C ATOM 15316 N1 U B 768 -845.638 -64.675 124.009 1.00855.43 N ATOM 15317 C2 U B 768 -845.164 -65.284 122.862 1.00855.43 C ATOM 15318 O2 U B 768 -844.979 -66.485 122.778 1.00855.43 O ATOM 15319 N3 U B 768 -844.916 -64.432 121.816 1.00855.43 N ATOM 15320 C4 U B 768 -845.094 -63.066 121.796 1.00855.43 C ATOM 15321 O4 U B 768 -844.747 -62.426 120.802 1.00855.43 O ATOM 15322 C5 U B 768 -845.608 -62.515 123.015 1.00855.43 C ATOM 15323 C6 U B 768 -845.856 -63.318 124.052 1.00855.43 C ATOM 15324 P C B 769 -843.260 -63.801 128.961 1.00855.43 P ATOM 15325 O1P C B 769 -843.188 -63.993 130.432 1.00855.43 O ATOM 15326 O2P C B 769 -843.553 -62.454 128.410 1.00855.43 O ATOM 15327 O5* C B 769 -841.896 -64.320 128.320 1.00855.43 O ATOM 15328 C5* C B 769 -841.264 -65.494 128.818 1.00855.43 C ATOM 15329 C4* C B 769 -840.213 -65.986 127.851 1.00855.43 C ATOM 15330 O4* C B 769 -840.824 -66.258 126.562 1.00855.43 O ATOM 15331 C3* C B 769 -839.105 -65.004 127.536 1.00855.43 C ATOM 15332 O3* C B 769 -838.074 -65.055 128.511 1.00855.43 O ATOM 15333 C2* C B 769 -838.609 -65.478 126.177 1.00855.43 C ATOM 15334 O2* C B 769 -837.700 -66.558 126.282 1.00855.43 O ATOM 15335 C1* C B 769 -839.905 -65.958 125.524 1.00855.43 C ATOM 15336 N1 C B 769 -840.478 -64.900 124.675 1.00855.43 N ATOM 15337 C2 C B 769 -840.163 -64.894 123.315 1.00855.43 C ATOM 15338 O2 C B 769 -839.452 -65.797 122.856 1.00855.43 O ATOM 15339 N3 C B 769 -840.638 -63.896 122.530 1.00855.43 N ATOM 15340 C4 C B 769 -841.406 -62.944 123.058 1.00855.43 C ATOM 15341 N4 C B 769 -841.838 -61.970 122.248 1.00855.43 N ATOM 15342 C5 C B 769 -841.763 -62.939 124.441 1.00855.43 C ATOM 15343 C6 C B 769 -841.281 -63.932 125.206 1.00855.43 C ATOM 15344 P U B 770 -837.356 -63.692 128.973 1.00855.43 P ATOM 15345 O1P U B 770 -836.759 -63.933 130.312 1.00855.43 O ATOM 15346 O2P U B 770 -838.319 -62.578 128.790 1.00855.43 O ATOM 15347 O5* U B 770 -836.167 -63.491 127.927 1.00855.43 O ATOM 15348 C5* U B 770 -835.013 -64.326 127.969 1.00855.43 C ATOM 15349 C4* U B 770 -834.141 -64.091 126.753 1.00855.43 C ATOM 15350 O4* U B 770 -834.912 -64.366 125.552 1.00855.43 O ATOM 15351 C3* U B 770 -833.636 -62.684 126.574 1.00855.43 C ATOM 15352 O3* U B 770 -832.417 -62.529 127.288 1.00855.43 O ATOM 15353 C2* U B 770 -833.416 -62.585 125.073 1.00855.43 C ATOM 15354 O2* U B 770 -832.181 -63.143 124.667 1.00855.43 O ATOM 15355 C1* U B 770 -834.562 -63.437 124.535 1.00855.43 C ATOM 15356 N1 U B 770 -835.732 -62.591 124.258 1.00855.43 N ATOM 15357 C2 U B 770 -835.735 -61.859 123.080 1.00855.43 C ATOM 15358 O2 U B 770 -834.835 -61.911 122.256 1.00855.43 O ATOM 15359 N3 U B 770 -836.838 -61.063 122.901 1.00855.43 N ATOM 15360 C4 U B 770 -837.913 -60.930 123.763 1.00855.43 C ATOM 15361 O4 U B 770 -838.829 -60.156 123.478 1.00855.43 O ATOM 15362 C5 U B 770 -837.834 -61.729 124.950 1.00855.43 C ATOM 15363 C6 U B 770 -836.776 -62.516 125.147 1.00855.43 C ATOM 15364 P C B 771 -832.215 -61.244 128.238 1.00855.43 P ATOM 15365 O1P C B 771 -830.966 -61.450 129.015 1.00855.43 O ATOM 15366 O2P C B 771 -833.491 -60.988 128.951 1.00855.43 O ATOM 15367 O5* C B 771 -831.972 -60.042 127.219 1.00855.43 O ATOM 15368 C5* C B 771 -830.872 -60.064 126.316 1.00855.43 C ATOM 15369 C4* C B 771 -830.608 -58.682 125.765 1.00855.43 C ATOM 15370 O4* C B 771 -831.770 -58.178 125.053 1.00855.43 O ATOM 15371 C3* C B 771 -830.288 -57.604 126.797 1.00855.43 C ATOM 15372 O3* C B 771 -828.932 -57.614 127.218 1.00855.43 O ATOM 15373 C2* C B 771 -830.654 -56.323 126.055 1.00855.43 C ATOM 15374 O2* C B 771 -829.625 -55.895 125.187 1.00855.43 O ATOM 15375 C1* C B 771 -831.862 -56.771 125.227 1.00855.43 C ATOM 15376 N1 C B 771 -833.154 -56.446 125.863 1.00855.43 N ATOM 15377 C2 C B 771 -833.687 -55.153 125.695 1.00855.43 C ATOM 15378 O2 C B 771 -833.068 -54.328 125.015 1.00855.43 O ATOM 15379 N3 C B 771 -834.862 -54.841 126.279 1.00855.43 N ATOM 15380 C4 C B 771 -835.511 -55.749 127.008 1.00855.43 C ATOM 15381 N4 C B 771 -836.668 -55.378 127.573 1.00855.43 N ATOM 15382 C5 C B 771 -835.000 -57.070 127.193 1.00855.43 C ATOM 15383 C6 C B 771 -833.828 -57.374 126.607 1.00855.43 C ATOM 15384 P G B 772 -828.512 -56.821 128.548 1.00855.43 P ATOM 15385 O1P G B 772 -827.121 -57.216 128.888 1.00855.43 O ATOM 15386 O2P G B 772 -829.592 -56.993 129.554 1.00855.43 O ATOM 15387 O5* G B 772 -828.499 -55.302 128.082 1.00855.43 O ATOM 15388 C5* G B 772 -827.502 -54.829 127.181 1.00855.43 C ATOM 15389 C4* G B 772 -827.855 -53.448 126.687 1.00855.43 C ATOM 15390 O4* G B 772 -829.127 -53.466 125.984 1.00855.43 O ATOM 15391 C3* G B 772 -828.017 -52.379 127.756 1.00855.43 C ATOM 15392 O3* G B 772 -826.768 -51.840 128.161 1.00855.43 O ATOM 15393 C2* G B 772 -828.912 -51.355 127.067 1.00855.43 C ATOM 15394 O2* G B 772 -828.189 -50.483 126.221 1.00855.43 O ATOM 15395 C1* G B 772 -829.822 -52.254 126.223 1.00855.43 C ATOM 15396 N9 G B 772 -831.061 -52.571 126.928 1.00855.43 N ATOM 15397 C8 G B 772 -831.254 -53.574 127.849 1.00855.43 C ATOM 15398 N7 G B 772 -832.464 -53.591 128.340 1.00855.43 N ATOM 15399 C5 G B 772 -833.111 -52.543 127.697 1.00855.43 C ATOM 15400 C6 G B 772 -834.439 -52.069 127.830 1.00855.43 C ATOM 15401 O6 G B 772 -835.339 -52.491 128.563 1.00855.43 O ATOM 15402 N1 G B 772 -834.682 -50.985 126.993 1.00855.43 N ATOM 15403 C2 G B 772 -833.765 -50.424 126.143 1.00855.43 C ATOM 15404 N2 G B 772 -834.197 -49.379 125.418 1.00855.43 N ATOM 15405 N3 G B 772 -832.517 -50.855 126.011 1.00855.43 N ATOM 15406 C4 G B 772 -832.264 -51.910 126.816 1.00855.43 C ATOM 15407 P G B 773 -826.651 -51.113 129.589 1.00855.43 P ATOM 15408 O1P G B 773 -825.276 -50.570 129.710 1.00855.43 O ATOM 15409 O2P G B 773 -827.171 -52.041 130.626 1.00855.43 O ATOM 15410 O5* G B 773 -827.666 -49.891 129.466 1.00855.43 O ATOM 15411 C5* G B 773 -827.313 -48.731 128.718 1.00855.43 C ATOM 15412 C4* G B 773 -828.374 -47.666 128.866 1.00855.43 C ATOM 15413 O4* G B 773 -829.610 -48.093 128.241 1.00855.43 O ATOM 15414 C3* G B 773 -828.741 -47.350 130.304 1.00855.43 C ATOM 15415 O3* G B 773 -827.854 -46.385 130.859 1.00855.43 O ATOM 15416 C2* G B 773 -830.165 -46.825 130.178 1.00855.43 C ATOM 15417 O2* G B 773 -830.208 -45.452 129.839 1.00855.43 O ATOM 15418 C1* G B 773 -830.710 -47.659 129.020 1.00855.43 C ATOM 15419 N9 G B 773 -831.446 -48.833 129.477 1.00855.43 N ATOM 15420 C8 G B 773 -831.025 -50.140 129.451 1.00855.43 C ATOM 15421 N7 G B 773 -831.906 -50.971 129.935 1.00855.43 N ATOM 15422 C5 G B 773 -832.974 -50.164 130.305 1.00855.43 C ATOM 15423 C6 G B 773 -834.224 -50.501 130.888 1.00855.43 C ATOM 15424 O6 G B 773 -834.652 -51.613 131.209 1.00855.43 O ATOM 15425 N1 G B 773 -835.010 -49.370 131.098 1.00855.43 N ATOM 15426 C2 G B 773 -834.644 -48.085 130.786 1.00855.43 C ATOM 15427 N2 G B 773 -835.545 -47.132 131.068 1.00855.43 N ATOM 15428 N3 G B 773 -833.485 -47.758 130.237 1.00855.43 N ATOM 15429 C4 G B 773 -832.704 -48.841 130.027 1.00855.43 C ATOM 15430 P A B 774 -826.877 -46.800 132.065 1.00855.43 P ATOM 15431 O1P A B 774 -826.239 -45.563 132.578 1.00855.43 O ATOM 15432 O2P A B 774 -826.030 -47.927 131.600 1.00855.43 O ATOM 15433 O5* A B 774 -827.853 -47.358 133.195 1.00855.43 O ATOM 15434 C5* A B 774 -828.408 -46.501 134.196 1.00855.43 C ATOM 15435 C4* A B 774 -829.128 -47.334 135.226 1.00855.43 C ATOM 15436 O4* A B 774 -830.274 -47.958 134.591 1.00855.43 O ATOM 15437 C3* A B 774 -828.348 -48.491 135.778 1.00855.43 C ATOM 15438 O3* A B 774 -827.499 -48.027 136.820 1.00855.43 O ATOM 15439 C2* A B 774 -829.437 -49.455 136.225 1.00855.43 C ATOM 15440 O2* A B 774 -829.978 -49.126 137.491 1.00855.43 O ATOM 15441 C1* A B 774 -830.487 -49.250 135.131 1.00855.43 C ATOM 15442 N9 A B 774 -830.332 -50.195 134.023 1.00855.43 N ATOM 15443 C8 A B 774 -829.435 -50.102 132.987 1.00855.43 C ATOM 15444 N7 A B 774 -829.538 -51.070 132.109 1.00855.43 N ATOM 15445 C5 A B 774 -830.566 -51.858 132.605 1.00855.43 C ATOM 15446 C6 A B 774 -831.160 -53.041 132.130 1.00855.43 C ATOM 15447 N6 A B 774 -830.790 -53.651 131.003 1.00855.43 N ATOM 15448 N1 A B 774 -832.162 -53.578 132.858 1.00855.43 N ATOM 15449 C2 A B 774 -832.531 -52.959 133.989 1.00855.43 C ATOM 15450 N3 A B 774 -832.053 -51.845 134.539 1.00855.43 N ATOM 15451 C4 A B 774 -831.059 -51.338 133.789 1.00855.43 C ATOM 15452 P U B 775 -825.913 -47.969 136.573 1.00855.43 P ATOM 15453 O1P U B 775 -825.699 -47.861 135.105 1.00855.43 O ATOM 15454 O2P U B 775 -825.289 -49.084 137.325 1.00855.43 O ATOM 15455 O5* U B 775 -825.452 -46.598 137.243 1.00855.43 O ATOM 15456 C5* U B 775 -826.241 -45.418 137.125 1.00855.43 C ATOM 15457 C4* U B 775 -825.505 -44.246 137.731 1.00855.43 C ATOM 15458 O4* U B 775 -825.376 -44.460 139.157 1.00855.43 O ATOM 15459 C3* U B 775 -824.085 -43.919 137.302 1.00855.43 C ATOM 15460 O3* U B 775 -824.091 -43.177 136.085 1.00855.43 O ATOM 15461 C2* U B 775 -823.546 -43.096 138.469 1.00855.43 C ATOM 15462 O2* U B 775 -823.883 -41.728 138.374 1.00855.43 O ATOM 15463 C1* U B 775 -824.281 -43.717 139.658 1.00855.43 C ATOM 15464 N1 U B 775 -823.442 -44.620 140.464 1.00855.43 N ATOM 15465 C2 U B 775 -822.616 -44.049 141.417 1.00855.43 C ATOM 15466 O2 U B 775 -822.557 -42.848 141.604 1.00855.43 O ATOM 15467 N3 U B 775 -821.866 -44.941 142.143 1.00855.43 N ATOM 15468 C4 U B 775 -821.854 -46.313 142.014 1.00855.43 C ATOM 15469 O4 U B 775 -821.122 -46.983 142.748 1.00855.43 O ATOM 15470 C5 U B 775 -822.729 -46.828 141.005 1.00855.43 C ATOM 15471 C6 U B 775 -823.474 -45.984 140.284 1.00855.43 C ATOM 15472 P G B 776 -822.728 -43.008 135.251 1.00855.43 P ATOM 15473 O1P G B 776 -821.958 -44.263 135.423 1.00855.43 O ATOM 15474 O2P G B 776 -822.107 -41.709 135.606 1.00855.43 O ATOM 15475 O5* G B 776 -823.200 -42.942 133.731 1.00855.43 O ATOM 15476 C5* G B 776 -823.597 -41.714 133.129 1.00855.43 C ATOM 15477 C4* G B 776 -824.974 -41.863 132.530 1.00855.43 C ATOM 15478 O4* G B 776 -825.938 -42.078 133.586 1.00855.43 O ATOM 15479 C3* G B 776 -825.470 -40.644 131.766 1.00855.43 C ATOM 15480 O3* G B 776 -825.014 -40.702 130.416 1.00855.43 O ATOM 15481 C2* G B 776 -826.988 -40.807 131.849 1.00855.43 C ATOM 15482 O2* G B 776 -827.499 -41.614 130.806 1.00855.43 O ATOM 15483 C1* G B 776 -827.175 -41.542 133.182 1.00855.43 C ATOM 15484 N9 G B 776 -827.797 -40.814 134.289 1.00855.43 N ATOM 15485 C8 G B 776 -827.603 -39.487 134.562 1.00855.43 C ATOM 15486 N7 G B 776 -828.220 -39.079 135.634 1.00855.43 N ATOM 15487 C5 G B 776 -828.871 -40.205 136.106 1.00855.43 C ATOM 15488 C6 G B 776 -829.689 -40.384 137.259 1.00855.43 C ATOM 15489 O6 G B 776 -829.941 -39.601 138.174 1.00855.43 O ATOM 15490 N1 G B 776 -830.214 -41.639 137.301 1.00855.43 N ATOM 15491 C2 G B 776 -829.976 -42.606 136.391 1.00855.43 C ATOM 15492 N2 G B 776 -830.678 -43.637 136.578 1.00855.43 N ATOM 15493 N3 G B 776 -829.149 -42.517 135.367 1.00855.43 N ATOM 15494 C4 G B 776 -828.646 -41.282 135.269 1.00855.43 C ATOM 15495 P A B 777 -823.885 -39.686 129.897 1.00855.43 P ATOM 15496 O1P A B 777 -822.563 -40.332 130.077 1.00855.43 O ATOM 15497 O2P A B 777 -824.134 -38.347 130.490 1.00855.43 O ATOM 15498 O5* A B 777 -824.136 -39.597 128.329 1.00855.43 O ATOM 15499 C5* A B 777 -825.446 -39.734 127.818 1.00855.43 C ATOM 15500 C4* A B 777 -825.764 -38.635 126.836 1.00855.43 C ATOM 15501 O4* A B 777 -824.885 -38.693 125.687 1.00855.43 O ATOM 15502 C3* A B 777 -827.174 -38.663 126.284 1.00855.43 C ATOM 15503 O3* A B 777 -828.063 -37.995 127.174 1.00855.43 O ATOM 15504 C2* A B 777 -827.022 -37.899 124.974 1.00855.43 C ATOM 15505 O2* A B 777 -827.086 -36.497 125.162 1.00855.43 O ATOM 15506 C1* A B 777 -825.601 -38.276 124.543 1.00855.43 C ATOM 15507 N9 A B 777 -825.549 -39.325 123.524 1.00855.43 N ATOM 15508 C8 A B 777 -826.162 -40.556 123.488 1.00855.43 C ATOM 15509 N7 A B 777 -825.942 -41.226 122.374 1.00855.43 N ATOM 15510 C5 A B 777 -825.136 -40.372 121.637 1.00855.43 C ATOM 15511 C6 A B 777 -824.585 -40.474 120.353 1.00855.43 C ATOM 15512 N6 A B 777 -824.821 -41.488 119.526 1.00855.43 N ATOM 15513 N1 A B 777 -823.795 -39.466 119.928 1.00855.43 N ATOM 15514 C2 A B 777 -823.610 -38.414 120.731 1.00855.43 C ATOM 15515 N3 A B 777 -824.100 -38.186 121.940 1.00855.43 N ATOM 15516 C4 A B 777 -824.866 -39.217 122.342 1.00855.43 C ATOM 15517 P G B 778 -829.637 -38.348 127.161 1.00855.43 P ATOM 15518 O1P G B 778 -830.148 -38.111 125.790 1.00855.43 O ATOM 15519 O2P G B 778 -830.286 -37.660 128.308 1.00855.43 O ATOM 15520 O5* G B 778 -829.693 -39.907 127.473 1.00855.43 O ATOM 15521 C5* G B 778 -829.593 -40.366 128.813 1.00855.43 C ATOM 15522 C4* G B 778 -830.687 -41.362 129.115 1.00855.43 C ATOM 15523 O4* G B 778 -830.415 -41.928 130.421 1.00855.43 O ATOM 15524 C3* G B 778 -832.089 -40.804 129.252 1.00855.43 C ATOM 15525 O3* G B 778 -832.746 -40.688 127.996 1.00855.43 O ATOM 15526 C2* G B 778 -832.773 -41.820 130.153 1.00855.43 C ATOM 15527 O2* G B 778 -833.215 -42.961 129.442 1.00855.43 O ATOM 15528 C1* G B 778 -831.631 -42.214 131.086 1.00855.43 C ATOM 15529 N9 G B 778 -831.635 -41.450 132.328 1.00855.43 N ATOM 15530 C8 G B 778 -830.840 -40.372 132.632 1.00855.43 C ATOM 15531 N7 G B 778 -831.066 -39.891 133.824 1.00855.43 N ATOM 15532 C5 G B 778 -832.073 -40.698 134.335 1.00855.43 C ATOM 15533 C6 G B 778 -832.723 -40.666 135.594 1.00855.43 C ATOM 15534 O6 G B 778 -832.537 -39.887 136.540 1.00855.43 O ATOM 15535 N1 G B 778 -833.675 -41.674 135.699 1.00855.43 N ATOM 15536 C2 G B 778 -833.961 -42.599 134.722 1.00855.43 C ATOM 15537 N2 G B 778 -834.906 -43.500 135.013 1.00855.43 N ATOM 15538 N3 G B 778 -833.363 -42.635 133.547 1.00855.43 N ATOM 15539 C4 G B 778 -832.436 -41.664 133.421 1.00855.43 C ATOM 15540 P U B 779 -833.861 -39.545 127.781 1.00855.43 P ATOM 15541 O1P U B 779 -834.125 -39.464 126.325 1.00855.43 O ATOM 15542 O2P U B 779 -833.433 -38.330 128.519 1.00855.43 O ATOM 15543 O5* U B 779 -835.172 -40.119 128.489 1.00855.43 O ATOM 15544 C5* U B 779 -835.650 -41.431 128.194 1.00855.43 C ATOM 15545 C4* U B 779 -836.559 -41.925 129.299 1.00855.43 C ATOM 15546 O4* U B 779 -835.795 -42.035 130.529 1.00855.43 O ATOM 15547 C3* U B 779 -837.693 -40.986 129.651 1.00855.43 C ATOM 15548 O3* U B 779 -838.830 -41.197 128.817 1.00855.43 O ATOM 15549 C2* U B 779 -838.001 -41.348 131.097 1.00855.43 C ATOM 15550 O2* U B 779 -838.835 -42.482 131.211 1.00855.43 O ATOM 15551 C1* U B 779 -836.608 -41.677 131.635 1.00855.43 C ATOM 15552 N1 U B 779 -836.008 -40.514 132.298 1.00855.43 N ATOM 15553 C2 U B 779 -836.358 -40.278 133.615 1.00855.43 C ATOM 15554 O2 U B 779 -837.112 -41.004 134.239 1.00855.43 O ATOM 15555 N3 U B 779 -835.793 -39.159 134.170 1.00855.43 N ATOM 15556 C4 U B 779 -834.930 -38.271 133.561 1.00855.43 C ATOM 15557 O4 U B 779 -834.520 -37.295 134.192 1.00855.43 O ATOM 15558 C5 U B 779 -834.606 -38.592 132.206 1.00855.43 C ATOM 15559 C6 U B 779 -835.143 -39.678 131.634 1.00855.43 C ATOM 15560 P U B 780 -839.833 -39.976 128.516 1.00855.43 P ATOM 15561 O1P U B 780 -840.843 -40.467 127.545 1.00855.43 O ATOM 15562 O2P U B 780 -839.021 -38.779 128.182 1.00855.43 O ATOM 15563 O5* U B 780 -840.573 -39.714 129.903 1.00855.43 O ATOM 15564 C5* U B 780 -841.363 -40.729 130.511 1.00855.43 C ATOM 15565 C4* U B 780 -842.011 -40.222 131.784 1.00855.43 C ATOM 15566 O4* U B 780 -840.989 -39.886 132.757 1.00855.43 O ATOM 15567 C3* U B 780 -842.844 -38.960 131.649 1.00855.43 C ATOM 15568 O3* U B 780 -844.171 -39.247 131.229 1.00855.43 O ATOM 15569 C2* U B 780 -842.823 -38.393 133.063 1.00855.43 C ATOM 15570 O2* U B 780 -843.787 -38.991 133.907 1.00855.43 O ATOM 15571 C1* U B 780 -841.421 -38.782 133.539 1.00855.43 C ATOM 15572 N1 U B 780 -840.464 -37.679 133.391 1.00855.43 N ATOM 15573 C2 U B 780 -840.592 -36.605 134.251 1.00855.43 C ATOM 15574 O2 U B 780 -841.435 -36.563 135.126 1.00855.43 O ATOM 15575 N3 U B 780 -839.701 -35.582 134.043 1.00855.43 N ATOM 15576 C4 U B 780 -838.713 -35.526 133.085 1.00855.43 C ATOM 15577 O4 U B 780 -838.025 -34.509 132.986 1.00855.43 O ATOM 15578 C5 U B 780 -838.627 -36.682 132.246 1.00855.43 C ATOM 15579 C6 U B 780 -839.484 -37.695 132.425 1.00855.43 C ATOM 15580 P G B 781 -845.170 -38.035 130.881 1.00855.43 P ATOM 15581 O1P G B 781 -846.332 -38.608 130.154 1.00855.43 O ATOM 15582 O2P G B 781 -844.383 -36.944 130.258 1.00855.43 O ATOM 15583 O5* G B 781 -845.681 -37.527 132.304 1.00855.43 O ATOM 15584 C5* G B 781 -846.600 -38.303 133.063 1.00855.43 C ATOM 15585 C4* G B 781 -847.308 -37.430 134.070 1.00855.43 C ATOM 15586 O4* G B 781 -846.366 -37.002 135.090 1.00855.43 O ATOM 15587 C3* G B 781 -847.849 -36.139 133.482 1.00855.43 C ATOM 15588 O3* G B 781 -849.134 -36.305 132.894 1.00855.43 O ATOM 15589 C2* G B 781 -847.874 -35.211 134.687 1.00855.43 C ATOM 15590 O2* G B 781 -849.022 -35.399 135.492 1.00855.43 O ATOM 15591 C1* G B 781 -846.629 -35.656 135.449 1.00855.43 C ATOM 15592 N9 G B 781 -845.470 -34.841 135.091 1.00855.43 N ATOM 15593 C8 G B 781 -844.366 -35.232 134.371 1.00855.43 C ATOM 15594 N7 G B 781 -843.513 -34.262 134.177 1.00855.43 N ATOM 15595 C5 G B 781 -844.088 -33.167 134.813 1.00855.43 C ATOM 15596 C6 G B 781 -843.632 -31.820 134.944 1.00855.43 C ATOM 15597 O6 G B 781 -842.602 -31.294 134.504 1.00855.43 O ATOM 15598 N1 G B 781 -844.529 -31.051 135.671 1.00855.43 N ATOM 15599 C2 G B 781 -845.704 -31.498 136.207 1.00855.43 C ATOM 15600 N2 G B 781 -846.423 -30.593 136.881 1.00855.43 N ATOM 15601 N3 G B 781 -846.144 -32.739 136.093 1.00855.43 N ATOM 15602 C4 G B 781 -845.292 -33.515 135.388 1.00855.43 C ATOM 15603 P U B 782 -849.404 -35.732 131.418 1.00855.43 P ATOM 15604 O1P U B 782 -850.536 -36.496 130.833 1.00855.43 O ATOM 15605 O2P U B 782 -848.109 -35.675 130.699 1.00855.43 O ATOM 15606 O5* U B 782 -849.892 -34.234 131.674 1.00855.43 O ATOM 15607 C5* U B 782 -850.839 -33.948 132.699 1.00855.43 C ATOM 15608 C4* U B 782 -850.629 -32.546 133.226 1.00855.43 C ATOM 15609 O4* U B 782 -849.362 -32.475 133.931 1.00855.43 O ATOM 15610 C3* U B 782 -850.529 -31.486 132.141 1.00855.43 C ATOM 15611 O3* U B 782 -851.793 -30.995 131.719 1.00855.43 O ATOM 15612 C2* U B 782 -849.691 -30.403 132.811 1.00855.43 C ATOM 15613 O2* U B 782 -850.472 -29.561 133.639 1.00855.43 O ATOM 15614 C1* U B 782 -848.740 -31.229 133.677 1.00855.43 C ATOM 15615 N1 U B 782 -847.441 -31.479 133.034 1.00855.43 N ATOM 15616 C2 U B 782 -846.486 -30.481 133.112 1.00855.43 C ATOM 15617 O2 U B 782 -846.676 -29.428 133.690 1.00855.43 O ATOM 15618 N3 U B 782 -845.297 -30.766 132.489 1.00855.43 N ATOM 15619 C4 U B 782 -844.968 -31.919 131.811 1.00855.43 C ATOM 15620 O4 U B 782 -843.844 -32.031 131.321 1.00855.43 O ATOM 15621 C5 U B 782 -846.006 -32.901 131.774 1.00855.43 C ATOM 15622 C6 U B 782 -847.177 -32.655 132.372 1.00855.43 C ATOM 15623 P G B 783 -851.975 -30.442 130.223 1.00855.43 P ATOM 15624 O1P G B 783 -853.430 -30.300 129.983 1.00855.43 O ATOM 15625 O2P G B 783 -851.161 -31.283 129.309 1.00855.43 O ATOM 15626 O5* G B 783 -851.339 -28.982 130.270 1.00855.43 O ATOM 15627 C5* G B 783 -851.798 -28.023 131.215 1.00855.43 C ATOM 15628 C4* G B 783 -850.765 -26.944 131.424 1.00855.43 C ATOM 15629 O4* G B 783 -849.560 -27.517 131.991 1.00855.43 O ATOM 15630 C3* G B 783 -850.275 -26.223 130.182 1.00855.43 C ATOM 15631 O3* G B 783 -851.168 -25.191 129.790 1.00855.43 O ATOM 15632 C2* G B 783 -848.929 -25.667 130.628 1.00855.43 C ATOM 15633 O2* G B 783 -849.054 -24.459 131.349 1.00855.43 O ATOM 15634 C1* G B 783 -848.432 -26.775 131.556 1.00855.43 C ATOM 15635 N9 G B 783 -847.518 -27.669 130.855 1.00855.43 N ATOM 15636 C8 G B 783 -847.798 -28.901 130.310 1.00855.43 C ATOM 15637 N7 G B 783 -846.767 -29.441 129.716 1.00855.43 N ATOM 15638 C5 G B 783 -845.748 -28.515 129.888 1.00855.43 C ATOM 15639 C6 G B 783 -844.394 -28.543 129.456 1.00855.43 C ATOM 15640 O6 G B 783 -843.806 -29.419 128.811 1.00855.43 O ATOM 15641 N1 G B 783 -843.712 -27.396 129.848 1.00855.43 N ATOM 15642 C2 G B 783 -844.257 -26.356 130.559 1.00855.43 C ATOM 15643 N2 G B 783 -843.438 -25.338 130.847 1.00855.43 N ATOM 15644 N3 G B 783 -845.514 -26.316 130.961 1.00855.43 N ATOM 15645 C4 G B 783 -846.195 -27.420 130.594 1.00855.43 C ATOM 15646 P U B 784 -851.434 -24.923 128.227 1.00855.43 P ATOM 15647 O1P U B 784 -852.437 -23.833 128.128 1.00855.43 O ATOM 15648 O2P U B 784 -851.706 -26.231 127.571 1.00855.43 O ATOM 15649 O5* U B 784 -850.047 -24.364 127.683 1.00855.43 O ATOM 15650 C5* U B 784 -849.504 -23.156 128.203 1.00855.43 C ATOM 15651 C4* U B 784 -848.204 -22.808 127.513 1.00855.43 C ATOM 15652 O4* U B 784 -847.245 -23.883 127.682 1.00855.43 O ATOM 15653 C3* U B 784 -848.297 -22.597 126.014 1.00855.43 C ATOM 15654 O3* U B 784 -848.682 -21.264 125.695 1.00855.43 O ATOM 15655 C2* U B 784 -846.873 -22.885 125.549 1.00855.43 C ATOM 15656 O2* U B 784 -846.020 -21.767 125.684 1.00855.43 O ATOM 15657 C1* U B 784 -846.432 -23.978 126.524 1.00855.43 C ATOM 15658 N1 U B 784 -846.550 -25.329 125.961 1.00855.43 N ATOM 15659 C2 U B 784 -845.381 -26.030 125.739 1.00855.43 C ATOM 15660 O2 U B 784 -844.282 -25.584 126.014 1.00855.43 O ATOM 15661 N3 U B 784 -845.550 -27.271 125.184 1.00855.43 N ATOM 15662 C4 U B 784 -846.735 -27.874 124.832 1.00855.43 C ATOM 15663 O4 U B 784 -846.716 -28.987 124.308 1.00855.43 O ATOM 15664 C5 U B 784 -847.901 -27.092 125.104 1.00855.43 C ATOM 15665 C6 U B 784 -847.772 -25.877 125.647 1.00855.43 C ATOM 15666 P U B 785 -849.419 -20.964 124.298 1.00855.43 P ATOM 15667 O1P U B 785 -850.765 -20.420 124.606 1.00855.43 O ATOM 15668 O2P U B 785 -849.292 -22.160 123.429 1.00855.43 O ATOM 15669 O5* U B 785 -848.554 -19.790 123.653 1.00855.43 O ATOM 15670 C5* U B 785 -848.311 -19.756 122.251 1.00855.43 C ATOM 15671 C4* U B 785 -846.839 -19.572 121.980 1.00855.43 C ATOM 15672 O4* U B 785 -846.101 -20.628 122.651 1.00855.43 O ATOM 15673 C3* U B 785 -846.414 -19.667 120.529 1.00855.43 C ATOM 15674 O3* U B 785 -846.575 -18.423 119.845 1.00855.43 O ATOM 15675 C2* U B 785 -844.957 -20.099 120.641 1.00855.43 C ATOM 15676 O2* U B 785 -844.081 -19.019 120.894 1.00855.43 O ATOM 15677 C1* U B 785 -844.988 -21.013 121.861 1.00855.43 C ATOM 15678 N1 U B 785 -845.160 -22.420 121.480 1.00855.43 N ATOM 15679 C2 U B 785 -844.063 -23.096 120.981 1.00855.43 C ATOM 15680 O2 U B 785 -842.969 -22.572 120.850 1.00855.43 O ATOM 15681 N3 U B 785 -844.298 -24.404 120.647 1.00855.43 N ATOM 15682 C4 U B 785 -845.494 -25.090 120.751 1.00855.43 C ATOM 15683 O4 U B 785 -845.549 -26.272 120.416 1.00855.43 O ATOM 15684 C5 U B 785 -846.578 -24.318 121.269 1.00855.43 C ATOM 15685 C6 U B 785 -846.378 -23.041 121.608 1.00855.43 C ATOM 15686 P U B 786 -846.951 -18.411 118.277 1.00855.43 P ATOM 15687 O1P U B 786 -846.922 -17.002 117.821 1.00855.43 O ATOM 15688 O2P U B 786 -848.185 -19.215 118.086 1.00855.43 O ATOM 15689 O5* U B 786 -845.740 -19.181 117.580 1.00855.43 O ATOM 15690 C5* U B 786 -845.803 -20.585 117.414 1.00855.43 C ATOM 15691 C4* U B 786 -844.484 -21.157 116.973 1.00855.43 C ATOM 15692 O4* U B 786 -844.292 -22.315 117.824 1.00855.43 O ATOM 15693 C3* U B 786 -844.435 -21.711 115.577 1.00855.43 C ATOM 15694 O3* U B 786 -844.050 -20.727 114.616 1.00855.43 O ATOM 15695 C2* U B 786 -843.382 -22.807 115.697 1.00855.43 C ATOM 15696 O2* U B 786 -842.061 -22.306 115.640 1.00855.43 O ATOM 15697 C1* U B 786 -843.644 -23.343 117.105 1.00855.43 C ATOM 15698 N1 U B 786 -844.500 -24.535 117.175 1.00855.43 N ATOM 15699 C2 U B 786 -843.889 -25.772 117.128 1.00855.43 C ATOM 15700 O2 U B 786 -842.684 -25.907 117.027 1.00855.43 O ATOM 15701 N3 U B 786 -844.742 -26.845 117.205 1.00855.43 N ATOM 15702 C4 U B 786 -846.117 -26.809 117.324 1.00855.43 C ATOM 15703 O4 U B 786 -846.748 -27.862 117.390 1.00855.43 O ATOM 15704 C5 U B 786 -846.678 -25.492 117.366 1.00855.43 C ATOM 15705 C6 U B 786 -845.871 -24.430 117.290 1.00855.43 C ATOM 15706 P A B 787 -844.455 -20.907 113.076 1.00855.43 P ATOM 15707 O1P A B 787 -843.215 -21.218 112.318 1.00855.43 O ATOM 15708 O2P A B 787 -845.299 -19.755 112.663 1.00855.43 O ATOM 15709 O5* A B 787 -845.369 -22.203 113.083 1.00855.43 O ATOM 15710 C5* A B 787 -844.921 -23.412 112.492 1.00855.43 C ATOM 15711 C4* A B 787 -845.940 -23.874 111.500 1.00855.43 C ATOM 15712 O4* A B 787 -847.063 -24.434 112.229 1.00855.43 O ATOM 15713 C3* A B 787 -846.541 -22.744 110.693 1.00855.43 C ATOM 15714 O3* A B 787 -845.748 -22.411 109.562 1.00855.43 O ATOM 15715 C2* A B 787 -847.913 -23.288 110.333 1.00855.43 C ATOM 15716 O2* A B 787 -847.814 -24.193 109.256 1.00855.43 O ATOM 15717 C1* A B 787 -848.276 -24.065 111.601 1.00855.43 C ATOM 15718 N9 A B 787 -849.046 -23.277 112.565 1.00855.43 N ATOM 15719 C8 A B 787 -848.558 -22.368 113.473 1.00855.43 C ATOM 15720 N7 A B 787 -849.479 -21.825 114.230 1.00855.43 N ATOM 15721 C5 A B 787 -850.656 -22.411 113.789 1.00855.43 C ATOM 15722 C6 A B 787 -851.997 -22.262 114.194 1.00855.43 C ATOM 15723 N6 A B 787 -852.387 -21.440 115.173 1.00855.43 N ATOM 15724 N1 A B 787 -852.931 -22.991 113.551 1.00855.43 N ATOM 15725 C2 A B 787 -852.538 -23.816 112.571 1.00855.43 C ATOM 15726 N3 A B 787 -851.312 -24.047 112.102 1.00855.43 N ATOM 15727 C4 A B 787 -850.407 -23.303 112.761 1.00855.43 C ATOM 15728 P G B 788 -846.277 -21.320 108.509 1.00855.43 P ATOM 15729 O1P G B 788 -845.101 -20.806 107.764 1.00855.43 O ATOM 15730 O2P G B 788 -847.173 -20.369 109.218 1.00855.43 O ATOM 15731 O5* G B 788 -847.159 -22.183 107.504 1.00855.43 O ATOM 15732 C5* G B 788 -846.541 -23.026 106.539 1.00855.43 C ATOM 15733 C4* G B 788 -847.567 -23.904 105.863 1.00855.43 C ATOM 15734 O4* G B 788 -847.915 -25.027 106.706 1.00855.43 O ATOM 15735 C3* G B 788 -848.886 -23.242 105.520 1.00855.43 C ATOM 15736 O3* G B 788 -848.757 -22.561 104.274 1.00855.43 O ATOM 15737 C2* G B 788 -849.846 -24.425 105.442 1.00855.43 C ATOM 15738 O2* G B 788 -849.796 -25.057 104.181 1.00855.43 O ATOM 15739 C1* G B 788 -849.261 -25.391 106.480 1.00855.43 C ATOM 15740 N9 G B 788 -849.940 -25.458 107.769 1.00855.43 N ATOM 15741 C8 G B 788 -850.592 -24.437 108.415 1.00855.43 C ATOM 15742 N7 G B 788 -850.998 -24.759 109.613 1.00855.43 N ATOM 15743 C5 G B 788 -850.617 -26.086 109.758 1.00855.43 C ATOM 15744 C6 G B 788 -850.777 -26.971 110.853 1.00855.43 C ATOM 15745 O6 G B 788 -851.262 -26.741 111.966 1.00855.43 O ATOM 15746 N1 G B 788 -850.285 -28.233 110.562 1.00855.43 N ATOM 15747 C2 G B 788 -849.698 -28.600 109.381 1.00855.43 C ATOM 15748 N2 G B 788 -849.312 -29.871 109.292 1.00855.43 N ATOM 15749 N3 G B 788 -849.507 -27.774 108.362 1.00855.43 N ATOM 15750 C4 G B 788 -849.993 -26.544 108.614 1.00855.43 C ATOM 15751 P G B 789 -848.506 -20.973 104.246 1.00855.43 P ATOM 15752 O1P G B 789 -847.688 -20.624 105.438 1.00855.43 O ATOM 15753 O2P G B 789 -849.806 -20.293 104.028 1.00855.43 O ATOM 15754 O5* G B 789 -847.596 -20.745 102.956 1.00855.43 O ATOM 15755 C5* G B 789 -846.218 -21.115 102.955 1.00855.43 C ATOM 15756 C4* G B 789 -846.084 -22.609 103.129 1.00855.43 C ATOM 15757 O4* G B 789 -847.103 -23.295 102.368 1.00855.43 O ATOM 15758 C3* G B 789 -844.787 -23.267 102.688 1.00855.43 C ATOM 15759 O3* G B 789 -843.812 -23.128 103.721 1.00855.43 O ATOM 15760 C2* G B 789 -845.178 -24.722 102.445 1.00855.43 C ATOM 15761 O2* G B 789 -845.060 -25.518 103.607 1.00855.43 O ATOM 15762 C1* G B 789 -846.663 -24.609 102.080 1.00855.43 C ATOM 15763 N9 G B 789 -847.046 -24.942 100.712 1.00855.43 N ATOM 15764 C8 G B 789 -847.974 -25.878 100.319 1.00855.43 C ATOM 15765 N7 G B 789 -848.068 -25.997 99.023 1.00855.43 N ATOM 15766 C5 G B 789 -847.153 -25.078 98.526 1.00855.43 C ATOM 15767 C6 G B 789 -846.803 -24.758 97.187 1.00855.43 C ATOM 15768 O6 G B 789 -847.243 -25.248 96.139 1.00855.43 O ATOM 15769 N1 G B 789 -845.834 -23.761 97.137 1.00855.43 N ATOM 15770 C2 G B 789 -845.271 -23.151 98.230 1.00855.43 C ATOM 15771 N2 G B 789 -844.353 -22.206 97.972 1.00855.43 N ATOM 15772 N3 G B 789 -845.583 -23.443 99.483 1.00855.43 N ATOM 15773 C4 G B 789 -846.522 -24.409 99.554 1.00855.43 C ATOM 15774 P A B 790 -842.251 -22.994 103.364 1.00855.43 P ATOM 15775 O1P A B 790 -842.044 -21.650 102.766 1.00855.43 O ATOM 15776 O2P A B 790 -841.798 -24.202 102.626 1.00855.43 O ATOM 15777 O5* A B 790 -841.557 -23.001 104.799 1.00855.43 O ATOM 15778 C5* A B 790 -841.538 -21.820 105.595 1.00855.43 C ATOM 15779 C4* A B 790 -842.034 -22.103 106.999 1.00855.43 C ATOM 15780 O4* A B 790 -843.409 -22.571 106.954 1.00855.43 O ATOM 15781 C3* A B 790 -841.276 -23.174 107.762 1.00855.43 C ATOM 15782 O3* A B 790 -840.141 -22.640 108.432 1.00855.43 O ATOM 15783 C2* A B 790 -842.312 -23.655 108.771 1.00855.43 C ATOM 15784 O2* A B 790 -842.401 -22.809 109.897 1.00855.43 O ATOM 15785 C1* A B 790 -843.609 -23.541 107.971 1.00855.43 C ATOM 15786 N9 A B 790 -843.980 -24.824 107.375 1.00855.43 N ATOM 15787 C8 A B 790 -843.599 -25.394 106.186 1.00855.43 C ATOM 15788 N7 A B 790 -844.135 -26.575 105.973 1.00855.43 N ATOM 15789 C5 A B 790 -844.916 -26.795 107.099 1.00855.43 C ATOM 15790 C6 A B 790 -845.746 -27.868 107.489 1.00855.43 C ATOM 15791 N6 A B 790 -845.932 -28.974 106.766 1.00855.43 N ATOM 15792 N1 A B 790 -846.386 -27.764 108.675 1.00855.43 N ATOM 15793 C2 A B 790 -846.204 -26.664 109.408 1.00855.43 C ATOM 15794 N3 A B 790 -845.450 -25.597 109.153 1.00855.43 N ATOM 15795 C4 A B 790 -844.830 -25.727 107.969 1.00855.43 C ATOM 15796 P G B 791 -838.915 -23.611 108.823 1.00855.43 P ATOM 15797 O1P G B 791 -837.742 -22.753 109.114 1.00855.43 O ATOM 15798 O2P G B 791 -838.813 -24.668 107.787 1.00855.43 O ATOM 15799 O5* G B 791 -839.373 -24.295 110.189 1.00855.43 O ATOM 15800 C5* G B 791 -839.695 -23.508 111.334 1.00855.43 C ATOM 15801 C4* G B 791 -840.536 -24.303 112.308 1.00855.43 C ATOM 15802 O4* G B 791 -841.743 -24.763 111.649 1.00855.43 O ATOM 15803 C3* G B 791 -839.878 -25.560 112.867 1.00855.43 C ATOM 15804 O3* G B 791 -839.108 -25.275 114.027 1.00855.43 O ATOM 15805 C2* G B 791 -841.069 -26.455 113.182 1.00855.43 C ATOM 15806 O2* G B 791 -841.655 -26.154 114.435 1.00855.43 O ATOM 15807 C1* G B 791 -842.038 -26.090 112.062 1.00855.43 C ATOM 15808 N9 G B 791 -841.903 -26.967 110.905 1.00855.43 N ATOM 15809 C8 G B 791 -841.264 -26.689 109.722 1.00855.43 C ATOM 15810 N7 G B 791 -841.309 -27.675 108.871 1.00855.43 N ATOM 15811 C5 G B 791 -842.019 -28.666 109.534 1.00855.43 C ATOM 15812 C6 G B 791 -842.381 -29.972 109.114 1.00855.43 C ATOM 15813 O6 G B 791 -842.138 -30.528 108.034 1.00855.43 O ATOM 15814 N1 G B 791 -843.091 -30.647 110.101 1.00855.43 N ATOM 15815 C2 G B 791 -843.410 -30.135 111.336 1.00855.43 C ATOM 15816 N2 G B 791 -844.098 -30.943 112.155 1.00855.43 N ATOM 15817 N3 G B 791 -843.079 -28.920 111.739 1.00855.43 N ATOM 15818 C4 G B 791 -842.390 -28.247 110.793 1.00855.43 C ATOM 15819 P U B 792 -837.825 -26.177 114.367 1.00855.43 P ATOM 15820 O1P U B 792 -837.295 -25.693 115.668 1.00855.43 O ATOM 15821 O2P U B 792 -836.941 -26.191 113.172 1.00855.43 O ATOM 15822 O5* U B 792 -838.412 -27.646 114.576 1.00855.43 O ATOM 15823 C5* U B 792 -838.921 -28.046 115.846 1.00855.43 C ATOM 15824 C4* U B 792 -839.247 -29.528 115.852 1.00855.43 C ATOM 15825 O4* U B 792 -840.251 -29.824 114.841 1.00855.43 O ATOM 15826 C3* U B 792 -838.076 -30.401 115.496 1.00855.43 C ATOM 15827 O3* U B 792 -837.326 -30.699 116.669 1.00855.43 O ATOM 15828 C2* U B 792 -838.743 -31.648 114.929 1.00855.43 C ATOM 15829 O2* U B 792 -839.184 -32.524 115.946 1.00855.43 O ATOM 15830 C1* U B 792 -839.944 -31.058 114.195 1.00855.43 C ATOM 15831 N1 U B 792 -839.571 -30.773 112.800 1.00855.43 N ATOM 15832 C2 U B 792 -839.313 -31.845 111.917 1.00855.43 C ATOM 15833 O2 U B 792 -839.436 -33.029 112.210 1.00855.43 O ATOM 15834 N3 U B 792 -838.901 -31.470 110.661 1.00855.43 N ATOM 15835 C4 U B 792 -838.731 -30.176 110.198 1.00855.43 C ATOM 15836 O4 U B 792 -838.339 -29.996 109.047 1.00855.43 O ATOM 15837 C5 U B 792 -839.043 -29.148 111.146 1.00855.43 C ATOM 15838 C6 U B 792 -839.442 -29.472 112.378 1.00855.43 C ATOM 15839 P G B 793 -835.715 -30.633 116.613 1.00855.43 P ATOM 15840 O1P G B 793 -835.207 -30.677 118.006 1.00855.43 O ATOM 15841 O2P G B 793 -835.326 -29.506 115.724 1.00855.43 O ATOM 15842 O5* G B 793 -835.295 -31.995 115.898 1.00855.43 O ATOM 15843 C5* G B 793 -835.849 -33.236 116.325 1.00855.43 C ATOM 15844 C4* G B 793 -835.980 -34.190 115.161 1.00855.43 C ATOM 15845 O4* G B 793 -836.885 -33.647 114.170 1.00855.43 O ATOM 15846 C3* G B 793 -834.656 -34.441 114.424 1.00855.43 C ATOM 15847 O3* G B 793 -833.865 -35.480 114.972 1.00855.43 O ATOM 15848 C2* G B 793 -835.120 -34.755 113.007 1.00855.43 C ATOM 15849 O2* G B 793 -835.501 -36.104 112.832 1.00855.43 O ATOM 15850 C1* G B 793 -836.351 -33.860 112.880 1.00855.43 C ATOM 15851 N9 G B 793 -836.029 -32.573 112.284 1.00855.43 N ATOM 15852 C8 G B 793 -835.791 -31.372 112.912 1.00855.43 C ATOM 15853 N7 G B 793 -835.534 -30.404 112.075 1.00855.43 N ATOM 15854 C5 G B 793 -835.611 -31.009 110.826 1.00855.43 C ATOM 15855 C6 G B 793 -835.432 -30.469 109.538 1.00855.43 C ATOM 15856 O6 G B 793 -835.161 -29.302 109.224 1.00855.43 O ATOM 15857 N1 G B 793 -835.603 -31.448 108.552 1.00855.43 N ATOM 15858 C2 G B 793 -835.908 -32.779 108.785 1.00855.43 C ATOM 15859 N2 G B 793 -836.039 -33.599 107.722 1.00855.43 N ATOM 15860 N3 G B 793 -836.069 -33.284 109.986 1.00855.43 N ATOM 15861 C4 G B 793 -835.911 -32.349 110.951 1.00855.43 C ATOM 15862 P A B 794 -832.285 -35.267 115.126 1.00855.43 P ATOM 15863 O1P A B 794 -831.792 -36.294 116.077 1.00855.43 O ATOM 15864 O2P A B 794 -832.058 -33.830 115.410 1.00855.43 O ATOM 15865 O5* A B 794 -831.726 -35.609 113.676 1.00855.43 O ATOM 15866 C5* A B 794 -832.371 -36.585 112.870 1.00855.43 C ATOM 15867 C4* A B 794 -831.591 -37.874 112.893 1.00855.43 C ATOM 15868 O4* A B 794 -830.881 -37.994 114.150 1.00855.43 O ATOM 15869 C3* A B 794 -832.495 -39.088 112.773 1.00855.43 C ATOM 15870 O3* A B 794 -832.580 -39.489 111.409 1.00855.43 O ATOM 15871 C2* A B 794 -831.823 -40.135 113.656 1.00855.43 C ATOM 15872 O2* A B 794 -830.847 -40.882 112.960 1.00855.43 O ATOM 15873 C1* A B 794 -831.131 -39.267 114.715 1.00855.43 C ATOM 15874 N9 A B 794 -831.903 -39.083 115.944 1.00855.43 N ATOM 15875 C8 A B 794 -833.263 -38.935 116.086 1.00855.43 C ATOM 15876 N7 A B 794 -833.647 -38.767 117.329 1.00855.43 N ATOM 15877 C5 A B 794 -832.464 -38.811 118.050 1.00855.43 C ATOM 15878 C6 A B 794 -832.188 -38.694 119.424 1.00855.43 C ATOM 15879 N6 A B 794 -833.126 -38.495 120.356 1.00855.43 N ATOM 15880 N1 A B 794 -830.899 -38.790 119.815 1.00855.43 N ATOM 15881 C2 A B 794 -829.961 -38.983 118.883 1.00855.43 C ATOM 15882 N3 A B 794 -830.092 -39.107 117.568 1.00855.43 N ATOM 15883 C4 A B 794 -831.384 -39.011 117.212 1.00855.43 C ATOM 15884 P A B 795 -833.577 -40.676 110.983 1.00855.43 P ATOM 15885 O1P A B 795 -834.876 -40.427 111.660 1.00855.43 O ATOM 15886 O2P A B 795 -832.877 -41.968 111.191 1.00855.43 O ATOM 15887 O5* A B 795 -833.787 -40.459 109.416 1.00855.43 O ATOM 15888 C5* A B 795 -832.754 -40.761 108.481 1.00855.43 C ATOM 15889 C4* A B 795 -832.610 -39.633 107.483 1.00855.43 C ATOM 15890 O4* A B 795 -832.754 -38.366 108.165 1.00855.43 O ATOM 15891 C3* A B 795 -831.305 -39.574 106.701 1.00855.43 C ATOM 15892 O3* A B 795 -831.364 -40.297 105.477 1.00855.43 O ATOM 15893 C2* A B 795 -831.191 -38.085 106.381 1.00855.43 C ATOM 15894 O2* A B 795 -831.884 -37.723 105.207 1.00855.43 O ATOM 15895 C1* A B 795 -831.876 -37.427 107.581 1.00855.43 C ATOM 15896 N9 A B 795 -830.963 -36.919 108.599 1.00855.43 N ATOM 15897 C8 A B 795 -829.686 -37.334 108.878 1.00855.43 C ATOM 15898 N7 A B 795 -829.115 -36.660 109.848 1.00855.43 N ATOM 15899 C5 A B 795 -830.080 -35.739 110.229 1.00855.43 C ATOM 15900 C6 A B 795 -830.086 -34.725 111.189 1.00855.43 C ATOM 15901 N6 A B 795 -829.041 -34.458 111.977 1.00855.43 N ATOM 15902 N1 A B 795 -831.205 -33.980 111.315 1.00855.43 N ATOM 15903 C2 A B 795 -832.240 -34.244 110.510 1.00855.43 C ATOM 15904 N3 A B 795 -832.353 -35.168 109.561 1.00855.43 N ATOM 15905 C4 A B 795 -831.224 -35.891 109.470 1.00855.43 C ATOM 15906 P A B 796 -831.448 -41.901 105.480 1.00855.43 P ATOM 15907 O1P A B 796 -830.681 -42.399 106.648 1.00855.43 O ATOM 15908 O2P A B 796 -831.122 -42.396 104.118 1.00855.43 O ATOM 15909 O5* A B 796 -832.997 -42.156 105.756 1.00855.43 O ATOM 15910 C5* A B 796 -833.577 -43.454 105.701 1.00855.43 C ATOM 15911 C4* A B 796 -835.077 -43.319 105.587 1.00855.43 C ATOM 15912 O4* A B 796 -835.526 -42.536 106.727 1.00855.43 O ATOM 15913 C3* A B 796 -835.550 -42.498 104.407 1.00855.43 C ATOM 15914 O3* A B 796 -835.601 -43.170 103.152 1.00855.43 O ATOM 15915 C2* A B 796 -836.909 -42.005 104.884 1.00855.43 C ATOM 15916 O2* A B 796 -837.913 -42.994 104.772 1.00855.43 O ATOM 15917 C1* A B 796 -836.610 -41.700 106.354 1.00855.43 C ATOM 15918 N9 A B 796 -836.161 -40.310 106.497 1.00855.43 N ATOM 15919 C8 A B 796 -835.681 -39.540 105.467 1.00855.43 C ATOM 15920 N7 A B 796 -835.364 -38.320 105.811 1.00855.43 N ATOM 15921 C5 A B 796 -835.642 -38.273 107.165 1.00855.43 C ATOM 15922 C6 A B 796 -835.523 -37.235 108.104 1.00855.43 C ATOM 15923 N6 A B 796 -835.055 -36.018 107.819 1.00855.43 N ATOM 15924 N1 A B 796 -835.896 -37.485 109.357 1.00855.43 N ATOM 15925 C2 A B 796 -836.342 -38.727 109.665 1.00855.43 C ATOM 15926 N3 A B 796 -836.495 -39.795 108.868 1.00855.43 N ATOM 15927 C4 A B 796 -836.129 -39.497 107.612 1.00855.43 C ATOM 15928 P A B 797 -834.696 -42.641 101.931 1.00855.43 P ATOM 15929 O1P A B 797 -834.926 -43.551 100.780 1.00855.43 O ATOM 15930 O2P A B 797 -833.315 -42.422 102.428 1.00855.43 O ATOM 15931 O5* A B 797 -835.319 -41.221 101.563 1.00855.43 O ATOM 15932 C5* A B 797 -836.732 -41.036 101.488 1.00855.43 C ATOM 15933 C4* A B 797 -837.157 -39.855 102.333 1.00855.43 C ATOM 15934 O4* A B 797 -836.717 -38.614 101.736 1.00855.43 O ATOM 15935 C3* A B 797 -838.660 -39.692 102.565 1.00855.43 C ATOM 15936 O3* A B 797 -839.106 -40.484 103.654 1.00855.43 O ATOM 15937 C2* A B 797 -838.768 -38.204 102.902 1.00855.43 C ATOM 15938 O2* A B 797 -838.563 -37.922 104.269 1.00855.43 O ATOM 15939 C1* A B 797 -837.634 -37.592 102.076 1.00855.43 C ATOM 15940 N9 A B 797 -838.060 -36.901 100.862 1.00855.43 N ATOM 15941 C8 A B 797 -837.545 -37.006 99.595 1.00855.43 C ATOM 15942 N7 A B 797 -838.151 -36.242 98.714 1.00855.43 N ATOM 15943 C5 A B 797 -839.131 -35.596 99.455 1.00855.43 C ATOM 15944 C6 A B 797 -840.114 -34.657 99.105 1.00855.43 C ATOM 15945 N6 A B 797 -840.284 -34.194 97.865 1.00855.43 N ATOM 15946 N1 A B 797 -840.931 -34.207 100.084 1.00855.43 N ATOM 15947 C2 A B 797 -840.767 -34.680 101.325 1.00855.43 C ATOM 15948 N3 A B 797 -839.884 -35.568 101.775 1.00855.43 N ATOM 15949 C4 A B 797 -839.084 -35.991 100.778 1.00855.43 C ATOM 15950 P G B 798 -840.211 -41.622 103.424 1.00855.43 P ATOM 15951 O1P G B 798 -839.550 -42.784 102.780 1.00855.43 O ATOM 15952 O2P G B 798 -841.399 -41.002 102.788 1.00855.43 O ATOM 15953 O5* G B 798 -840.599 -42.021 104.915 1.00855.43 O ATOM 15954 C5* G B 798 -841.492 -41.204 105.664 1.00855.43 C ATOM 15955 C4* G B 798 -841.065 -41.136 107.116 1.00855.43 C ATOM 15956 O4* G B 798 -839.828 -40.386 107.264 1.00855.43 O ATOM 15957 C3* G B 798 -842.056 -40.427 108.051 1.00855.43 C ATOM 15958 O3* G B 798 -843.133 -41.257 108.464 1.00855.43 O ATOM 15959 C2* G B 798 -841.160 -39.995 109.208 1.00855.43 C ATOM 15960 O2* G B 798 -840.945 -41.035 110.138 1.00855.43 O ATOM 15961 C1* G B 798 -839.848 -39.663 108.490 1.00855.43 C ATOM 15962 N9 G B 798 -839.642 -38.236 108.216 1.00855.43 N ATOM 15963 C8 G B 798 -839.796 -37.599 107.011 1.00855.43 C ATOM 15964 N7 G B 798 -839.530 -36.317 107.064 1.00855.43 N ATOM 15965 C5 G B 798 -839.180 -36.087 108.391 1.00855.43 C ATOM 15966 C6 G B 798 -838.786 -34.868 109.069 1.00855.43 C ATOM 15967 O6 G B 798 -838.675 -33.714 108.617 1.00855.43 O ATOM 15968 N1 G B 798 -838.511 -35.096 110.411 1.00855.43 N ATOM 15969 C2 G B 798 -838.601 -36.326 111.035 1.00855.43 C ATOM 15970 N2 G B 798 -838.285 -36.345 112.334 1.00855.43 N ATOM 15971 N3 G B 798 -838.967 -37.452 110.428 1.00855.43 N ATOM 15972 C4 G B 798 -839.239 -37.261 109.117 1.00855.43 C ATOM 15973 P C B 799 -844.639 -40.799 108.163 1.00855.43 P ATOM 15974 O1P C B 799 -845.544 -41.899 108.589 1.00855.43 O ATOM 15975 O2P C B 799 -844.712 -40.288 106.770 1.00855.43 O ATOM 15976 O5* C B 799 -844.853 -39.573 109.154 1.00855.43 O ATOM 15977 C5* C B 799 -845.056 -39.792 110.544 1.00855.43 C ATOM 15978 C4* C B 799 -845.262 -38.479 111.248 1.00855.43 C ATOM 15979 O4* C B 799 -844.112 -37.616 111.045 1.00855.43 O ATOM 15980 C3* C B 799 -846.418 -37.591 110.826 1.00855.43 C ATOM 15981 O3* C B 799 -847.638 -38.060 111.375 1.00855.43 O ATOM 15982 C2* C B 799 -846.019 -36.225 111.366 1.00855.43 C ATOM 15983 O2* C B 799 -846.364 -36.047 112.726 1.00855.43 O ATOM 15984 C1* C B 799 -844.498 -36.264 111.229 1.00855.43 C ATOM 15985 N1 C B 799 -844.025 -35.477 110.083 1.00855.43 N ATOM 15986 C2 C B 799 -843.524 -34.203 110.322 1.00855.43 C ATOM 15987 O2 C B 799 -843.485 -33.792 111.494 1.00855.43 O ATOM 15988 N3 C B 799 -843.098 -33.450 109.283 1.00855.43 N ATOM 15989 C4 C B 799 -843.162 -33.932 108.040 1.00855.43 C ATOM 15990 N4 C B 799 -842.740 -33.153 107.040 1.00855.43 N ATOM 15991 C5 C B 799 -843.668 -35.237 107.765 1.00855.43 C ATOM 15992 C6 C B 799 -844.084 -35.969 108.807 1.00855.43 C ATOM 15993 P U B 800 -849.025 -37.470 110.823 1.00855.43 P ATOM 15994 O1P U B 800 -850.131 -38.174 111.522 1.00855.43 O ATOM 15995 O2P U B 800 -848.977 -37.473 109.337 1.00855.43 O ATOM 15996 O5* U B 800 -848.999 -35.961 111.318 1.00855.43 O ATOM 15997 C5* U B 800 -849.320 -35.644 112.668 1.00855.43 C ATOM 15998 C4* U B 800 -849.558 -34.164 112.821 1.00855.43 C ATOM 15999 O4* U B 800 -848.301 -33.436 112.858 1.00855.43 O ATOM 16000 C3* U B 800 -850.355 -33.480 111.728 1.00855.43 C ATOM 16001 O3* U B 800 -851.748 -33.731 111.867 1.00855.43 O ATOM 16002 C2* U B 800 -849.963 -32.017 111.909 1.00855.43 C ATOM 16003 O2* U B 800 -850.687 -31.393 112.951 1.00855.43 O ATOM 16004 C1* U B 800 -848.497 -32.131 112.333 1.00855.43 C ATOM 16005 N1 U B 800 -847.563 -31.921 111.216 1.00855.43 N ATOM 16006 C2 U B 800 -847.063 -30.638 111.030 1.00855.43 C ATOM 16007 O2 U B 800 -847.354 -29.703 111.749 1.00855.43 O ATOM 16008 N3 U B 800 -846.210 -30.500 109.964 1.00855.43 N ATOM 16009 C4 U B 800 -845.811 -31.484 109.084 1.00855.43 C ATOM 16010 O4 U B 800 -845.032 -31.204 108.171 1.00855.43 O ATOM 16011 C5 U B 800 -846.368 -32.777 109.345 1.00855.43 C ATOM 16012 C6 U B 800 -847.201 -32.946 110.378 1.00855.43 C ATOM 16013 P A B 801 -852.484 -34.697 110.806 1.00855.43 P ATOM 16014 O1P A B 801 -851.424 -35.439 110.079 1.00855.43 O ATOM 16015 O2P A B 801 -853.478 -33.905 110.039 1.00855.43 O ATOM 16016 O5* A B 801 -853.276 -35.743 111.705 1.00855.43 O ATOM 16017 C5* A B 801 -852.612 -36.857 112.294 1.00855.43 C ATOM 16018 C4* A B 801 -852.962 -36.941 113.756 1.00855.43 C ATOM 16019 O4* A B 801 -852.266 -35.886 114.456 1.00855.43 O ATOM 16020 C3* A B 801 -854.442 -36.743 114.103 1.00855.43 C ATOM 16021 O3* A B 801 -855.150 -37.982 114.064 1.00855.43 O ATOM 16022 C2* A B 801 -854.383 -36.203 115.531 1.00855.43 C ATOM 16023 O2* A B 801 -854.292 -37.239 116.473 1.00855.43 O ATOM 16024 C1* A B 801 -853.042 -35.466 115.553 1.00855.43 C ATOM 16025 N9 A B 801 -853.075 -34.007 115.581 1.00855.43 N ATOM 16026 C8 A B 801 -852.472 -33.116 114.728 1.00855.43 C ATOM 16027 N7 A B 801 -852.645 -31.862 115.067 1.00855.43 N ATOM 16028 C5 A B 801 -853.424 -31.932 116.215 1.00855.43 C ATOM 16029 C6 A B 801 -853.941 -30.947 117.064 1.00855.43 C ATOM 16030 N6 A B 801 -853.743 -29.638 116.896 1.00855.43 N ATOM 16031 N1 A B 801 -854.687 -31.352 118.114 1.00855.43 N ATOM 16032 C2 A B 801 -854.889 -32.664 118.289 1.00855.43 C ATOM 16033 N3 A B 801 -854.447 -33.686 117.563 1.00855.43 N ATOM 16034 C4 A B 801 -853.711 -33.245 116.528 1.00855.43 C ATOM 16035 P A B 802 -855.743 -38.531 112.675 1.00855.43 P ATOM 16036 O1P A B 802 -855.494 -37.503 111.636 1.00855.43 O ATOM 16037 O2P A B 802 -857.126 -39.014 112.912 1.00855.43 O ATOM 16038 O5* A B 802 -854.833 -39.797 112.343 1.00855.43 O ATOM 16039 C5* A B 802 -853.654 -40.078 113.102 1.00855.43 C ATOM 16040 C4* A B 802 -853.286 -41.538 112.964 1.00855.43 C ATOM 16041 O4* A B 802 -854.288 -42.356 113.614 1.00855.43 O ATOM 16042 C3* A B 802 -853.239 -42.019 111.522 1.00855.43 C ATOM 16043 O3* A B 802 -851.949 -41.800 110.959 1.00855.43 O ATOM 16044 C2* A B 802 -853.574 -43.503 111.646 1.00855.43 C ATOM 16045 O2* A B 802 -852.439 -44.292 111.942 1.00855.43 O ATOM 16046 C1* A B 802 -854.529 -43.517 112.843 1.00855.43 C ATOM 16047 N9 A B 802 -855.950 -43.524 112.492 1.00855.43 N ATOM 16048 C8 A B 802 -856.528 -43.060 111.339 1.00855.43 C ATOM 16049 N7 A B 802 -857.835 -43.177 111.318 1.00855.43 N ATOM 16050 C5 A B 802 -858.136 -43.761 112.541 1.00855.43 C ATOM 16051 C6 A B 802 -859.354 -44.143 113.133 1.00855.43 C ATOM 16052 N6 A B 802 -860.542 -43.978 112.549 1.00855.43 N ATOM 16053 N1 A B 802 -859.304 -44.703 114.360 1.00855.43 N ATOM 16054 C2 A B 802 -858.111 -44.864 114.946 1.00855.43 C ATOM 16055 N3 A B 802 -856.902 -44.538 114.495 1.00855.43 N ATOM 16056 C4 A B 802 -856.983 -43.987 113.270 1.00855.43 C ATOM 16057 P C B 803 -851.739 -40.677 109.825 1.00855.43 P ATOM 16058 O1P C B 803 -850.321 -40.237 109.892 1.00855.43 O ATOM 16059 O2P C B 803 -852.827 -39.673 109.948 1.00855.43 O ATOM 16060 O5* C B 803 -851.945 -41.487 108.468 1.00855.43 O ATOM 16061 C5* C B 803 -850.965 -42.432 108.038 1.00855.43 C ATOM 16062 C4* C B 803 -850.716 -42.320 106.548 1.00855.43 C ATOM 16063 O4* C B 803 -851.909 -42.707 105.822 1.00855.43 O ATOM 16064 C3* C B 803 -850.376 -40.916 106.062 1.00855.43 C ATOM 16065 O3* C B 803 -848.979 -40.625 106.136 1.00855.43 O ATOM 16066 C2* C B 803 -850.827 -40.959 104.604 1.00855.43 C ATOM 16067 O2* C B 803 -849.854 -41.525 103.750 1.00855.43 O ATOM 16068 C1* C B 803 -852.034 -41.900 104.664 1.00855.43 C ATOM 16069 N1 C B 803 -853.335 -41.210 104.692 1.00855.43 N ATOM 16070 C2 C B 803 -853.848 -40.716 103.487 1.00855.43 C ATOM 16071 O2 C B 803 -853.195 -40.882 102.446 1.00855.43 O ATOM 16072 N3 C B 803 -855.037 -40.073 103.488 1.00855.43 N ATOM 16073 C4 C B 803 -855.709 -39.915 104.631 1.00855.43 C ATOM 16074 N4 C B 803 -856.876 -39.272 104.585 1.00855.43 N ATOM 16075 C5 C B 803 -855.212 -40.414 105.872 1.00855.43 C ATOM 16076 C6 C B 803 -854.030 -41.049 105.857 1.00855.43 C ATOM 16077 P C B 804 -848.479 -39.270 106.844 1.00855.43 P ATOM 16078 O1P C B 804 -847.773 -39.668 108.088 1.00855.43 O ATOM 16079 O2P C B 804 -849.628 -38.331 106.924 1.00855.43 O ATOM 16080 O5* C B 804 -847.397 -38.658 105.845 1.00855.43 O ATOM 16081 C5* C B 804 -847.520 -38.834 104.435 1.00855.43 C ATOM 16082 C4* C B 804 -847.884 -37.523 103.762 1.00855.43 C ATOM 16083 O4* C B 804 -848.915 -36.849 104.518 1.00855.43 O ATOM 16084 C3* C B 804 -846.786 -36.484 103.561 1.00855.43 C ATOM 16085 O3* C B 804 -846.072 -36.760 102.354 1.00855.43 O ATOM 16086 C2* C B 804 -847.592 -35.191 103.406 1.00855.43 C ATOM 16087 O2* C B 804 -847.993 -34.952 102.072 1.00855.43 O ATOM 16088 C1* C B 804 -848.841 -35.466 104.252 1.00855.43 C ATOM 16089 N1 C B 804 -849.000 -34.712 105.508 1.00855.43 N ATOM 16090 C2 C B 804 -849.006 -33.310 105.460 1.00855.43 C ATOM 16091 O2 C B 804 -848.805 -32.743 104.375 1.00855.43 O ATOM 16092 N3 C B 804 -849.228 -32.611 106.596 1.00855.43 N ATOM 16093 C4 C B 804 -849.432 -33.254 107.746 1.00855.43 C ATOM 16094 N4 C B 804 -849.685 -32.524 108.835 1.00855.43 N ATOM 16095 C5 C B 804 -849.392 -34.677 107.833 1.00855.43 C ATOM 16096 C6 C B 804 -849.173 -35.358 106.702 1.00855.43 C ATOM 16097 P G B 805 -845.049 -35.675 101.754 1.00855.43 P ATOM 16098 O1P G B 805 -843.964 -36.433 101.080 1.00855.43 O ATOM 16099 O2P G B 805 -844.705 -34.698 102.817 1.00855.43 O ATOM 16100 O5* G B 805 -845.889 -34.923 100.626 1.00855.43 O ATOM 16101 C5* G B 805 -845.265 -34.012 99.721 1.00855.43 C ATOM 16102 C4* G B 805 -845.236 -34.595 98.327 1.00855.43 C ATOM 16103 O4* G B 805 -844.231 -35.641 98.264 1.00855.43 O ATOM 16104 C3* G B 805 -846.536 -35.224 97.881 1.00855.43 C ATOM 16105 O3* G B 805 -847.400 -34.313 97.190 1.00855.43 O ATOM 16106 C2* G B 805 -846.095 -36.341 96.942 1.00855.43 C ATOM 16107 O2* G B 805 -845.935 -35.907 95.608 1.00855.43 O ATOM 16108 C1* G B 805 -844.734 -36.740 97.519 1.00855.43 C ATOM 16109 N9 G B 805 -844.798 -37.912 98.385 1.00855.43 N ATOM 16110 C8 G B 805 -845.893 -38.391 99.061 1.00855.43 C ATOM 16111 N7 G B 805 -845.638 -39.481 99.737 1.00855.43 N ATOM 16112 C5 G B 805 -844.294 -39.730 99.495 1.00855.43 C ATOM 16113 C6 G B 805 -843.454 -40.778 99.957 1.00855.43 C ATOM 16114 O6 G B 805 -843.739 -41.730 100.693 1.00855.43 O ATOM 16115 N1 G B 805 -842.158 -40.645 99.469 1.00855.43 N ATOM 16116 C2 G B 805 -841.724 -39.635 98.644 1.00855.43 C ATOM 16117 N2 G B 805 -840.432 -39.680 98.284 1.00855.43 N ATOM 16118 N3 G B 805 -842.497 -38.657 98.203 1.00855.43 N ATOM 16119 C4 G B 805 -843.761 -38.767 98.664 1.00855.43 C ATOM 16120 P A B 806 -847.922 -32.964 97.900 1.00855.43 P ATOM 16121 O1P A B 806 -849.103 -32.508 97.120 1.00855.43 O ATOM 16122 O2P A B 806 -846.777 -32.045 98.098 1.00855.43 O ATOM 16123 O5* A B 806 -848.452 -33.408 99.337 1.00855.43 O ATOM 16124 C5* A B 806 -849.235 -32.509 100.120 1.00855.43 C ATOM 16125 C4* A B 806 -848.377 -31.840 101.166 1.00855.43 C ATOM 16126 O4* A B 806 -847.083 -31.500 100.609 1.00855.43 O ATOM 16127 C3* A B 806 -848.921 -30.547 101.742 1.00855.43 C ATOM 16128 O3* A B 806 -849.793 -30.861 102.821 1.00855.43 O ATOM 16129 C2* A B 806 -847.661 -29.821 102.213 1.00855.43 C ATOM 16130 O2* A B 806 -847.267 -30.209 103.514 1.00855.43 O ATOM 16131 C1* A B 806 -846.615 -30.307 101.206 1.00855.43 C ATOM 16132 N9 A B 806 -846.266 -29.347 100.159 1.00855.43 N ATOM 16133 C8 A B 806 -846.941 -29.045 99.000 1.00855.43 C ATOM 16134 N7 A B 806 -846.358 -28.115 98.279 1.00855.43 N ATOM 16135 C5 A B 806 -845.227 -27.785 99.010 1.00855.43 C ATOM 16136 C6 A B 806 -844.187 -26.863 98.788 1.00855.43 C ATOM 16137 N6 A B 806 -844.122 -26.061 97.720 1.00855.43 N ATOM 16138 N1 A B 806 -843.207 -26.785 99.716 1.00855.43 N ATOM 16139 C2 A B 806 -843.277 -27.584 100.787 1.00855.43 C ATOM 16140 N3 A B 806 -844.195 -28.487 101.108 1.00855.43 N ATOM 16141 C4 A B 806 -845.156 -28.540 100.167 1.00855.43 C ATOM 16142 P A B 807 -850.519 -29.682 103.635 1.00855.43 P ATOM 16143 O1P A B 807 -850.925 -28.645 102.649 1.00855.43 O ATOM 16144 O2P A B 807 -849.673 -29.298 104.793 1.00855.43 O ATOM 16145 O5* A B 807 -851.837 -30.385 104.184 1.00855.43 O ATOM 16146 C5* A B 807 -851.886 -31.800 104.342 1.00855.43 C ATOM 16147 C4* A B 807 -852.567 -32.165 105.639 1.00855.43 C ATOM 16148 O4* A B 807 -851.950 -31.455 106.741 1.00855.43 O ATOM 16149 C3* A B 807 -854.041 -31.831 105.713 1.00855.43 C ATOM 16150 O3* A B 807 -854.791 -32.906 105.163 1.00855.43 O ATOM 16151 C2* A B 807 -854.281 -31.644 107.206 1.00855.43 C ATOM 16152 O2* A B 807 -854.502 -32.869 107.877 1.00855.43 O ATOM 16153 C1* A B 807 -852.948 -31.047 107.659 1.00855.43 C ATOM 16154 N9 A B 807 -852.972 -29.582 107.687 1.00855.43 N ATOM 16155 C8 A B 807 -852.356 -28.713 106.822 1.00855.43 C ATOM 16156 N7 A B 807 -852.556 -27.451 107.115 1.00855.43 N ATOM 16157 C5 A B 807 -853.364 -27.496 108.244 1.00855.43 C ATOM 16158 C6 A B 807 -853.930 -26.486 109.044 1.00855.43 C ATOM 16159 N6 A B 807 -853.758 -25.180 108.824 1.00855.43 N ATOM 16160 N1 A B 807 -854.691 -26.868 110.091 1.00855.43 N ATOM 16161 C2 A B 807 -854.863 -28.180 110.311 1.00855.43 C ATOM 16162 N3 A B 807 -854.380 -29.218 109.637 1.00855.43 N ATOM 16163 C4 A B 807 -853.630 -28.803 108.603 1.00855.43 C ATOM 16164 P C B 808 -856.060 -32.593 104.230 1.00855.43 P ATOM 16165 O1P C B 808 -856.375 -33.831 103.470 1.00855.43 O ATOM 16166 O2P C B 808 -855.799 -31.328 103.502 1.00855.43 O ATOM 16167 O5* C B 808 -857.237 -32.336 105.272 1.00855.43 O ATOM 16168 C5* C B 808 -857.619 -33.345 106.202 1.00855.43 C ATOM 16169 C4* C B 808 -858.326 -32.725 107.384 1.00855.43 C ATOM 16170 O4* C B 808 -857.417 -31.838 108.086 1.00855.43 O ATOM 16171 C3* C B 808 -859.501 -31.851 106.985 1.00855.43 C ATOM 16172 O3* C B 808 -860.688 -32.616 106.853 1.00855.43 O ATOM 16173 C2* C B 808 -859.587 -30.853 108.133 1.00855.43 C ATOM 16174 O2* C B 808 -860.297 -31.367 109.245 1.00855.43 O ATOM 16175 C1* C B 808 -858.113 -30.675 108.500 1.00855.43 C ATOM 16176 N1 C B 808 -857.515 -29.512 107.826 1.00855.43 N ATOM 16177 C2 C B 808 -857.550 -28.274 108.468 1.00855.43 C ATOM 16178 O2 C B 808 -858.072 -28.198 109.591 1.00855.43 O ATOM 16179 N3 C B 808 -857.018 -27.196 107.850 1.00855.43 N ATOM 16180 C4 C B 808 -856.466 -27.322 106.643 1.00855.43 C ATOM 16181 N4 C B 808 -855.955 -26.230 106.072 1.00855.43 N ATOM 16182 C5 C B 808 -856.411 -28.576 105.969 1.00855.43 C ATOM 16183 C6 C B 808 -856.943 -29.637 106.592 1.00855.43 C ATOM 16184 P C B 809 -861.613 -32.424 105.557 1.00855.43 P ATOM 16185 O1P C B 809 -862.264 -33.728 105.299 1.00855.43 O ATOM 16186 O2P C B 809 -860.811 -31.772 104.488 1.00855.43 O ATOM 16187 O5* C B 809 -862.738 -31.404 106.039 1.00855.43 O ATOM 16188 C5* C B 809 -863.452 -31.634 107.247 1.00855.43 C ATOM 16189 C4* C B 809 -863.770 -30.321 107.921 1.00855.43 C ATOM 16190 O4* C B 809 -862.537 -29.666 108.317 1.00855.43 O ATOM 16191 C3* C B 809 -864.465 -29.323 107.015 1.00855.43 C ATOM 16192 O3* C B 809 -865.872 -29.526 107.011 1.00855.43 O ATOM 16193 C2* C B 809 -864.073 -27.981 107.623 1.00855.43 C ATOM 16194 O2* C B 809 -864.895 -27.618 108.715 1.00855.43 O ATOM 16195 C1* C B 809 -862.657 -28.268 108.124 1.00855.43 C ATOM 16196 N1 C B 809 -861.612 -27.851 107.172 1.00855.43 N ATOM 16197 C2 C B 809 -861.030 -26.591 107.312 1.00855.43 C ATOM 16198 O2 C B 809 -861.402 -25.857 108.241 1.00855.43 O ATOM 16199 N3 C B 809 -860.071 -26.205 106.440 1.00855.43 N ATOM 16200 C4 C B 809 -859.697 -27.025 105.455 1.00855.43 C ATOM 16201 N4 C B 809 -858.749 -26.608 104.614 1.00855.43 N ATOM 16202 C5 C B 809 -860.280 -28.316 105.287 1.00855.43 C ATOM 16203 C6 C B 809 -861.225 -28.684 106.157 1.00855.43 C ATOM 16204 P U B 810 -866.700 -29.291 105.654 1.00855.43 P ATOM 16205 O1P U B 810 -868.048 -29.889 105.852 1.00855.43 O ATOM 16206 O2P U B 810 -865.862 -29.725 104.511 1.00855.43 O ATOM 16207 O5* U B 810 -866.865 -27.707 105.589 1.00855.43 O ATOM 16208 C5* U B 810 -867.978 -27.074 106.203 1.00855.43 C ATOM 16209 C4* U B 810 -867.969 -25.588 105.930 1.00855.43 C ATOM 16210 O4* U B 810 -866.862 -24.945 106.615 1.00855.43 O ATOM 16211 C3* U B 810 -867.827 -25.168 104.466 1.00855.43 C ATOM 16212 O3* U B 810 -869.032 -25.198 103.714 1.00855.43 O ATOM 16213 C2* U B 810 -867.277 -23.752 104.596 1.00855.43 C ATOM 16214 O2* U B 810 -868.291 -22.800 104.846 1.00855.43 O ATOM 16215 C1* U B 810 -866.376 -23.874 105.826 1.00855.43 C ATOM 16216 N1 U B 810 -864.980 -24.148 105.455 1.00855.43 N ATOM 16217 C2 U B 810 -864.153 -23.061 105.216 1.00855.43 C ATOM 16218 O2 U B 810 -864.530 -21.907 105.331 1.00855.43 O ATOM 16219 N3 U B 810 -862.873 -23.375 104.840 1.00855.43 N ATOM 16220 C4 U B 810 -862.343 -24.638 104.684 1.00855.43 C ATOM 16221 O4 U B 810 -861.172 -24.761 104.324 1.00855.43 O ATOM 16222 C5 U B 810 -863.252 -25.708 104.963 1.00855.43 C ATOM 16223 C6 U B 810 -864.509 -25.434 105.329 1.00855.43 C ATOM 16224 P G B 811 -868.973 -25.564 102.149 1.00855.43 P ATOM 16225 O1P G B 811 -870.368 -25.644 101.653 1.00855.43 O ATOM 16226 O2P G B 811 -868.064 -26.725 101.977 1.00855.43 O ATOM 16227 O5* G B 811 -868.283 -24.288 101.489 1.00855.43 O ATOM 16228 C5* G B 811 -868.852 -22.991 101.638 1.00855.43 C ATOM 16229 C4* G B 811 -867.818 -21.926 101.357 1.00855.43 C ATOM 16230 O4* G B 811 -866.659 -22.131 102.202 1.00855.43 O ATOM 16231 C3* G B 811 -867.256 -21.892 99.941 1.00855.43 C ATOM 16232 O3* G B 811 -868.104 -21.171 99.051 1.00855.43 O ATOM 16233 C2* G B 811 -865.909 -21.213 100.137 1.00855.43 C ATOM 16234 O2* G B 811 -866.010 -19.806 100.204 1.00855.43 O ATOM 16235 C1* G B 811 -865.483 -21.758 101.499 1.00855.43 C ATOM 16236 N9 G B 811 -864.642 -22.945 101.377 1.00855.43 N ATOM 16237 C8 G B 811 -864.817 -24.146 102.019 1.00855.43 C ATOM 16238 N7 G B 811 -863.919 -25.033 101.699 1.00855.43 N ATOM 16239 C5 G B 811 -863.099 -24.384 100.791 1.00855.43 C ATOM 16240 C6 G B 811 -861.956 -24.847 100.097 1.00855.43 C ATOM 16241 O6 G B 811 -861.426 -25.960 100.153 1.00855.43 O ATOM 16242 N1 G B 811 -861.424 -23.861 99.272 1.00855.43 N ATOM 16243 C2 G B 811 -861.926 -22.595 99.131 1.00855.43 C ATOM 16244 N2 G B 811 -861.262 -21.793 98.285 1.00855.43 N ATOM 16245 N3 G B 811 -862.996 -22.146 99.775 1.00855.43 N ATOM 16246 C4 G B 811 -863.528 -23.089 100.583 1.00855.43 C ATOM 16247 P G B 812 -868.255 -21.665 97.531 1.00855.43 P ATOM 16248 O1P G B 812 -869.298 -20.824 96.890 1.00855.43 O ATOM 16249 O2P G B 812 -868.403 -23.143 97.530 1.00855.43 O ATOM 16250 O5* G B 812 -866.852 -21.306 96.866 1.00855.43 O ATOM 16251 C5* G B 812 -866.465 -19.949 96.672 1.00855.43 C ATOM 16252 C4* G B 812 -865.293 -19.869 95.727 1.00855.43 C ATOM 16253 O4* G B 812 -864.138 -20.529 96.300 1.00855.43 O ATOM 16254 C3* G B 812 -865.433 -20.531 94.372 1.00855.43 C ATOM 16255 O3* G B 812 -866.135 -19.651 93.503 1.00855.43 O ATOM 16256 C2* G B 812 -863.992 -20.743 93.926 1.00855.43 C ATOM 16257 O2* G B 812 -863.462 -19.605 93.284 1.00855.43 O ATOM 16258 C1* G B 812 -863.275 -20.956 95.262 1.00855.43 C ATOM 16259 N9 G B 812 -862.908 -22.348 95.517 1.00855.43 N ATOM 16260 C8 G B 812 -863.738 -23.360 95.923 1.00855.43 C ATOM 16261 N7 G B 812 -863.118 -24.501 96.078 1.00855.43 N ATOM 16262 C5 G B 812 -861.798 -24.219 95.749 1.00855.43 C ATOM 16263 C6 G B 812 -860.658 -25.063 95.734 1.00855.43 C ATOM 16264 O6 G B 812 -860.582 -26.266 96.015 1.00855.43 O ATOM 16265 N1 G B 812 -859.518 -24.372 95.335 1.00855.43 N ATOM 16266 C2 G B 812 -859.475 -23.042 94.999 1.00855.43 C ATOM 16267 N2 G B 812 -858.276 -22.560 94.635 1.00855.43 N ATOM 16268 N3 G B 812 -860.531 -22.242 95.015 1.00855.43 N ATOM 16269 C4 G B 812 -861.654 -22.894 95.395 1.00855.43 C ATOM 16270 P A B 813 -866.445 -20.100 91.996 1.00855.43 P ATOM 16271 O1P A B 813 -865.168 -20.040 91.242 1.00855.43 O ATOM 16272 O2P A B 813 -867.620 -19.331 91.511 1.00855.43 O ATOM 16273 O5* A B 813 -866.869 -21.631 92.137 1.00855.43 O ATOM 16274 C5* A B 813 -867.911 -22.171 91.337 1.00855.43 C ATOM 16275 C4* A B 813 -867.545 -23.554 90.858 1.00855.43 C ATOM 16276 O4* A B 813 -866.296 -23.501 90.122 1.00855.43 O ATOM 16277 C3* A B 813 -867.336 -24.637 91.910 1.00855.43 C ATOM 16278 O3* A B 813 -868.567 -25.240 92.314 1.00855.43 O ATOM 16279 C2* A B 813 -866.449 -25.638 91.179 1.00855.43 C ATOM 16280 O2* A B 813 -867.206 -26.511 90.371 1.00855.43 O ATOM 16281 C1* A B 813 -865.620 -24.734 90.267 1.00855.43 C ATOM 16282 N9 A B 813 -864.242 -24.493 90.703 1.00855.43 N ATOM 16283 C8 A B 813 -863.410 -23.463 90.338 1.00855.43 C ATOM 16284 N7 A B 813 -862.209 -23.545 90.862 1.00855.43 N ATOM 16285 C5 A B 813 -862.258 -24.699 91.633 1.00855.43 C ATOM 16286 C6 A B 813 -861.299 -25.337 92.440 1.00855.43 C ATOM 16287 N6 A B 813 -860.053 -24.895 92.604 1.00855.43 N ATOM 16288 N1 A B 813 -861.671 -26.469 93.077 1.00855.43 N ATOM 16289 C2 A B 813 -862.921 -26.917 92.908 1.00855.43 C ATOM 16290 N3 A B 813 -863.907 -26.410 92.176 1.00855.43 N ATOM 16291 C4 A B 813 -863.507 -25.285 91.558 1.00855.43 C ATOM 16292 P G B 814 -868.554 -26.481 93.340 1.00855.43 P ATOM 16293 O1P G B 814 -869.931 -26.620 93.876 1.00855.43 O ATOM 16294 O2P G B 814 -867.415 -26.304 94.276 1.00855.43 O ATOM 16295 O5* G B 814 -868.246 -27.744 92.411 1.00855.43 O ATOM 16296 C5* G B 814 -868.201 -29.073 92.938 1.00855.43 C ATOM 16297 C4* G B 814 -867.996 -30.062 91.813 1.00855.43 C ATOM 16298 O4* G B 814 -869.116 -29.936 90.901 1.00855.43 O ATOM 16299 C3* G B 814 -866.765 -29.899 90.925 1.00855.43 C ATOM 16300 O3* G B 814 -865.594 -30.522 91.451 1.00855.43 O ATOM 16301 C2* G B 814 -867.209 -30.567 89.625 1.00855.43 C ATOM 16302 O2* G B 814 -867.065 -31.973 89.667 1.00855.43 O ATOM 16303 C1* G B 814 -868.698 -30.214 89.579 1.00855.43 C ATOM 16304 N9 G B 814 -868.997 -29.026 88.786 1.00855.43 N ATOM 16305 C8 G B 814 -868.615 -28.795 87.489 1.00855.43 C ATOM 16306 N7 G B 814 -868.979 -27.625 87.046 1.00855.43 N ATOM 16307 C5 G B 814 -869.655 -27.051 88.113 1.00855.43 C ATOM 16308 C6 G B 814 -870.257 -25.780 88.231 1.00855.43 C ATOM 16309 O6 G B 814 -870.319 -24.875 87.392 1.00855.43 O ATOM 16310 N1 G B 814 -870.833 -25.602 89.487 1.00855.43 N ATOM 16311 C2 G B 814 -870.820 -26.530 90.499 1.00855.43 C ATOM 16312 N2 G B 814 -871.432 -26.169 91.638 1.00855.43 N ATOM 16313 N3 G B 814 -870.248 -27.718 90.404 1.00855.43 N ATOM 16314 C4 G B 814 -869.687 -27.911 89.192 1.00855.43 C ATOM 16315 P A B 815 -864.190 -30.429 90.667 1.00855.43 P ATOM 16316 O1P A B 815 -864.177 -31.534 89.674 1.00855.43 O ATOM 16317 O2P A B 815 -863.093 -30.325 91.661 1.00855.43 O ATOM 16318 O5* A B 815 -864.241 -29.064 89.846 1.00855.43 O ATOM 16319 C5* A B 815 -863.112 -28.203 89.796 1.00855.43 C ATOM 16320 C4* A B 815 -862.144 -28.650 88.727 1.00855.43 C ATOM 16321 O4* A B 815 -861.088 -29.487 89.271 1.00855.43 O ATOM 16322 C3* A B 815 -862.735 -29.525 87.634 1.00855.43 C ATOM 16323 O3* A B 815 -863.456 -28.756 86.677 1.00855.43 O ATOM 16324 C2* A B 815 -861.512 -30.229 87.043 1.00855.43 C ATOM 16325 O2* A B 815 -860.893 -29.462 86.030 1.00855.43 O ATOM 16326 C1* A B 815 -860.571 -30.328 88.248 1.00855.43 C ATOM 16327 N9 A B 815 -860.391 -31.680 88.803 1.00855.43 N ATOM 16328 C8 A B 815 -861.245 -32.299 89.680 1.00855.43 C ATOM 16329 N7 A B 815 -860.871 -33.509 90.025 1.00855.43 N ATOM 16330 C5 A B 815 -859.683 -33.706 89.332 1.00855.43 C ATOM 16331 C6 A B 815 -858.795 -34.818 89.262 1.00855.43 C ATOM 16332 N6 A B 815 -858.997 -35.977 89.907 1.00855.43 N ATOM 16333 N1 A B 815 -857.697 -34.703 88.490 1.00855.43 N ATOM 16334 C2 A B 815 -857.515 -33.540 87.819 1.00855.43 C ATOM 16335 N3 A B 815 -858.283 -32.434 87.791 1.00855.43 N ATOM 16336 C4 A B 815 -859.366 -32.584 88.578 1.00855.43 C ATOM 16337 P U B 816 -865.061 -28.733 86.727 1.00855.43 P ATOM 16338 O1P U B 816 -865.482 -27.403 87.234 1.00855.43 O ATOM 16339 O2P U B 816 -865.530 -29.964 87.416 1.00855.43 O ATOM 16340 O5* U B 816 -865.465 -28.826 85.194 1.00855.43 O ATOM 16341 C5* U B 816 -864.729 -28.107 84.213 1.00855.43 C ATOM 16342 C4* U B 816 -863.874 -29.048 83.407 1.00855.43 C ATOM 16343 O4* U B 816 -862.871 -29.674 84.252 1.00855.43 O ATOM 16344 C3* U B 816 -864.607 -30.225 82.765 1.00855.43 C ATOM 16345 O3* U B 816 -865.312 -29.921 81.575 1.00855.43 O ATOM 16346 C2* U B 816 -863.482 -31.230 82.555 1.00855.43 C ATOM 16347 O2* U B 816 -862.726 -30.968 81.390 1.00855.43 O ATOM 16348 C1* U B 816 -862.612 -30.988 83.792 1.00855.43 C ATOM 16349 N1 U B 816 -862.901 -31.940 84.875 1.00855.43 N ATOM 16350 C2 U B 816 -861.946 -32.899 85.145 1.00855.43 C ATOM 16351 O2 U B 816 -860.901 -32.981 84.528 1.00855.43 O ATOM 16352 N3 U B 816 -862.262 -33.760 86.167 1.00855.43 N ATOM 16353 C4 U B 816 -863.410 -33.758 86.929 1.00855.43 C ATOM 16354 O4 U B 816 -863.540 -34.589 87.833 1.00855.43 O ATOM 16355 C5 U B 816 -864.350 -32.735 86.587 1.00855.43 C ATOM 16356 C6 U B 816 -864.071 -31.881 85.596 1.00855.43 C ATOM 16357 P A B 817 -866.490 -30.898 81.094 1.00855.43 P ATOM 16358 O1P A B 817 -867.125 -30.290 79.899 1.00855.43 O ATOM 16359 O2P A B 817 -867.321 -31.237 82.279 1.00855.43 O ATOM 16360 O5* A B 817 -865.710 -32.207 80.641 1.00855.43 O ATOM 16361 C5* A B 817 -864.859 -32.182 79.501 1.00855.43 C ATOM 16362 C4* A B 817 -863.956 -33.389 79.483 1.00855.43 C ATOM 16363 O4* A B 817 -863.123 -33.439 80.674 1.00855.43 O ATOM 16364 C3* A B 817 -864.626 -34.732 79.435 1.00855.43 C ATOM 16365 O3* A B 817 -864.986 -34.979 78.089 1.00855.43 O ATOM 16366 C2* A B 817 -863.552 -35.670 79.966 1.00855.43 C ATOM 16367 O2* A B 817 -862.615 -36.045 78.974 1.00855.43 O ATOM 16368 C1* A B 817 -862.866 -34.790 81.016 1.00855.43 C ATOM 16369 N9 A B 817 -863.425 -35.054 82.342 1.00855.43 N ATOM 16370 C8 A B 817 -864.388 -34.346 83.016 1.00855.43 C ATOM 16371 N7 A B 817 -864.713 -34.865 84.173 1.00855.43 N ATOM 16372 C5 A B 817 -863.898 -35.987 84.276 1.00855.43 C ATOM 16373 C6 A B 817 -863.760 -36.969 85.272 1.00855.43 C ATOM 16374 N6 A B 817 -864.470 -36.983 86.400 1.00855.43 N ATOM 16375 N1 A B 817 -862.855 -37.948 85.066 1.00855.43 N ATOM 16376 C2 A B 817 -862.145 -37.936 83.933 1.00855.43 C ATOM 16377 N3 A B 817 -862.186 -37.070 82.920 1.00855.43 N ATOM 16378 C4 A B 817 -863.095 -36.109 83.157 1.00855.43 C ATOM 16379 P G B 818 -866.133 -36.059 77.775 1.00855.43 P ATOM 16380 O1P G B 818 -867.407 -35.309 77.618 1.00855.43 O ATOM 16381 O2P G B 818 -866.041 -37.146 78.783 1.00855.43 O ATOM 16382 O5* G B 818 -865.731 -36.654 76.357 1.00855.43 O ATOM 16383 C5* G B 818 -864.824 -37.742 76.256 1.00855.43 C ATOM 16384 C4* G B 818 -864.235 -37.792 74.872 1.00855.43 C ATOM 16385 O4* G B 818 -863.567 -36.545 74.574 1.00855.43 O ATOM 16386 C3* G B 818 -863.194 -38.880 74.651 1.00855.43 C ATOM 16387 O3* G B 818 -863.818 -40.111 74.301 1.00855.43 O ATOM 16388 C2* G B 818 -862.350 -38.307 73.513 1.00855.43 C ATOM 16389 O2* G B 818 -862.898 -38.579 72.241 1.00855.43 O ATOM 16390 C1* G B 818 -862.427 -36.799 73.779 1.00855.43 C ATOM 16391 N9 G B 818 -861.263 -36.223 74.442 1.00855.43 N ATOM 16392 C8 G B 818 -861.215 -35.630 75.682 1.00855.43 C ATOM 16393 N7 G B 818 -860.021 -35.201 75.998 1.00855.43 N ATOM 16394 C5 G B 818 -859.235 -35.531 74.902 1.00855.43 C ATOM 16395 C6 G B 818 -857.851 -35.323 74.665 1.00855.43 C ATOM 16396 O6 G B 818 -857.017 -34.786 75.402 1.00855.43 O ATOM 16397 N1 G B 818 -857.466 -35.811 73.421 1.00855.43 N ATOM 16398 C2 G B 818 -858.300 -36.429 72.522 1.00855.43 C ATOM 16399 N2 G B 818 -857.738 -36.833 71.372 1.00855.43 N ATOM 16400 N3 G B 818 -859.591 -36.634 72.733 1.00855.43 N ATOM 16401 C4 G B 818 -859.987 -36.162 73.935 1.00855.43 C ATOM 16402 P C B 819 -864.293 -41.134 75.448 1.00855.43 P ATOM 16403 O1P C B 819 -864.205 -42.502 74.880 1.00855.43 O ATOM 16404 O2P C B 819 -865.590 -40.644 75.983 1.00855.43 O ATOM 16405 O5* C B 819 -863.197 -41.000 76.595 1.00855.43 O ATOM 16406 C5* C B 819 -861.945 -41.666 76.472 1.00855.43 C ATOM 16407 C4* C B 819 -861.557 -42.324 77.777 1.00855.43 C ATOM 16408 O4* C B 819 -861.520 -41.339 78.842 1.00855.43 O ATOM 16409 C3* C B 819 -862.477 -43.404 78.285 1.00855.43 C ATOM 16410 O3* C B 819 -862.110 -44.634 77.666 1.00855.43 O ATOM 16411 C2* C B 819 -862.197 -43.424 79.781 1.00855.43 C ATOM 16412 O2* C B 819 -861.075 -44.219 80.114 1.00855.43 O ATOM 16413 C1* C B 819 -861.880 -41.953 80.065 1.00855.43 C ATOM 16414 N1 C B 819 -863.018 -41.230 80.643 1.00855.43 N ATOM 16415 C2 C B 819 -863.387 -41.516 81.959 1.00855.43 C ATOM 16416 O2 C B 819 -862.738 -42.365 82.588 1.00855.43 O ATOM 16417 N3 C B 819 -864.440 -40.868 82.507 1.00855.43 N ATOM 16418 C4 C B 819 -865.111 -39.963 81.790 1.00855.43 C ATOM 16419 N4 C B 819 -866.146 -39.349 82.372 1.00855.43 N ATOM 16420 C5 C B 819 -864.754 -39.650 80.449 1.00855.43 C ATOM 16421 C6 C B 819 -863.712 -40.300 79.920 1.00855.43 C ATOM 16422 P U B 820 -863.253 -45.632 77.140 1.00855.43 P ATOM 16423 O1P U B 820 -862.609 -46.942 76.879 1.00855.43 O ATOM 16424 O2P U B 820 -864.002 -44.951 76.050 1.00855.43 O ATOM 16425 O5* U B 820 -864.232 -45.802 78.389 1.00855.43 O ATOM 16426 C5* U B 820 -863.790 -46.467 79.566 1.00855.43 C ATOM 16427 C4* U B 820 -864.766 -46.250 80.703 1.00855.43 C ATOM 16428 O4* U B 820 -864.804 -44.848 81.062 1.00855.43 O ATOM 16429 C3* U B 820 -866.213 -46.623 80.386 1.00855.43 C ATOM 16430 O3* U B 820 -866.512 -48.002 80.586 1.00855.43 O ATOM 16431 C2* U B 820 -866.998 -45.747 81.359 1.00855.43 C ATOM 16432 O2* U B 820 -867.097 -46.316 82.645 1.00855.43 O ATOM 16433 C1* U B 820 -866.123 -44.491 81.439 1.00855.43 C ATOM 16434 N1 U B 820 -866.582 -43.380 80.599 1.00855.43 N ATOM 16435 C2 U B 820 -867.431 -42.454 81.177 1.00855.43 C ATOM 16436 O2 U B 820 -867.810 -42.536 82.332 1.00855.43 O ATOM 16437 N3 U B 820 -867.824 -41.429 80.351 1.00855.43 N ATOM 16438 C4 U B 820 -867.464 -41.242 79.033 1.00855.43 C ATOM 16439 O4 U B 820 -867.887 -40.255 78.426 1.00855.43 O ATOM 16440 C5 U B 820 -866.588 -42.243 78.504 1.00855.43 C ATOM 16441 C6 U B 820 -866.188 -43.254 79.285 1.00855.43 C ATOM 16442 P A B 821 -867.947 -48.580 80.143 1.00855.43 P ATOM 16443 O1P A B 821 -867.820 -50.059 80.068 1.00855.43 O ATOM 16444 O2P A B 821 -868.419 -47.821 78.958 1.00855.43 O ATOM 16445 O5* A B 821 -868.901 -48.237 81.373 1.00855.43 O ATOM 16446 C5* A B 821 -869.053 -49.151 82.455 1.00855.43 C ATOM 16447 C4* A B 821 -870.304 -48.833 83.240 1.00855.43 C ATOM 16448 O4* A B 821 -870.077 -47.676 84.089 1.00855.43 O ATOM 16449 C3* A B 821 -871.513 -48.456 82.401 1.00855.43 C ATOM 16450 O3* A B 821 -872.213 -49.594 81.909 1.00855.43 O ATOM 16451 C2* A B 821 -872.350 -47.631 83.373 1.00855.43 C ATOM 16452 O2* A B 821 -873.122 -48.439 84.232 1.00855.43 O ATOM 16453 C1* A B 821 -871.269 -46.918 84.185 1.00855.43 C ATOM 16454 N9 A B 821 -870.996 -45.564 83.701 1.00855.43 N ATOM 16455 C8 A B 821 -870.162 -45.187 82.681 1.00855.43 C ATOM 16456 N7 A B 821 -870.121 -43.892 82.480 1.00855.43 N ATOM 16457 C5 A B 821 -870.994 -43.383 83.431 1.00855.43 C ATOM 16458 C6 A B 821 -871.395 -42.075 83.740 1.00855.43 C ATOM 16459 N6 A B 821 -870.946 -40.990 83.095 1.00855.43 N ATOM 16460 N1 A B 821 -872.283 -41.908 84.743 1.00855.43 N ATOM 16461 C2 A B 821 -872.730 -42.994 85.388 1.00855.43 C ATOM 16462 N3 A B 821 -872.427 -44.274 85.193 1.00855.43 N ATOM 16463 C4 A B 821 -871.541 -44.403 84.186 1.00855.43 C ATOM 16464 P G B 822 -873.057 -49.479 80.547 1.00855.43 P ATOM 16465 O1P G B 822 -873.566 -50.836 80.227 1.00855.43 O ATOM 16466 O2P G B 822 -872.232 -48.749 79.552 1.00855.43 O ATOM 16467 O5* G B 822 -874.298 -48.562 80.940 1.00855.43 O ATOM 16468 C5* G B 822 -875.219 -48.979 81.940 1.00855.43 C ATOM 16469 C4* G B 822 -876.026 -47.806 82.444 1.00855.43 C ATOM 16470 O4* G B 822 -875.148 -46.820 83.041 1.00855.43 O ATOM 16471 C3* G B 822 -876.838 -47.036 81.425 1.00855.43 C ATOM 16472 O3* G B 822 -878.086 -47.681 81.197 1.00855.43 O ATOM 16473 C2* G B 822 -877.010 -45.673 82.090 1.00855.43 C ATOM 16474 O2* G B 822 -878.085 -45.645 83.005 1.00855.43 O ATOM 16475 C1* G B 822 -875.690 -45.524 82.850 1.00855.43 C ATOM 16476 N9 G B 822 -874.724 -44.706 82.123 1.00855.43 N ATOM 16477 C8 G B 822 -873.635 -45.133 81.406 1.00855.43 C ATOM 16478 N7 G B 822 -872.970 -44.151 80.852 1.00855.43 N ATOM 16479 C5 G B 822 -873.663 -43.011 81.235 1.00855.43 C ATOM 16480 C6 G B 822 -873.421 -41.639 80.945 1.00855.43 C ATOM 16481 O6 G B 822 -872.523 -41.139 80.261 1.00855.43 O ATOM 16482 N1 G B 822 -874.374 -40.817 81.538 1.00855.43 N ATOM 16483 C2 G B 822 -875.419 -41.250 82.313 1.00855.43 C ATOM 16484 N2 G B 822 -876.233 -40.302 82.800 1.00855.43 N ATOM 16485 N3 G B 822 -875.656 -42.520 82.588 1.00855.43 N ATOM 16486 C4 G B 822 -874.744 -43.338 82.023 1.00855.43 C ATOM 16487 P U B 823 -878.887 -47.407 79.833 1.00855.43 P ATOM 16488 O1P U B 823 -880.118 -48.234 79.871 1.00855.43 O ATOM 16489 O2P U B 823 -877.938 -47.547 78.699 1.00855.43 O ATOM 16490 O5* U B 823 -879.312 -45.874 79.943 1.00855.43 O ATOM 16491 C5* U B 823 -880.281 -45.464 80.905 1.00855.43 C ATOM 16492 C4* U B 823 -880.521 -43.972 80.822 1.00855.43 C ATOM 16493 O4* U B 823 -879.347 -43.238 81.243 1.00855.43 O ATOM 16494 C3* U B 823 -880.814 -43.514 79.395 1.00855.43 C ATOM 16495 O3* U B 823 -882.195 -43.602 79.085 1.00855.43 O ATOM 16496 C2* U B 823 -880.349 -42.061 79.423 1.00855.43 C ATOM 16497 O2* U B 823 -881.332 -41.188 79.939 1.00855.43 O ATOM 16498 C1* U B 823 -879.165 -42.121 80.393 1.00855.43 C ATOM 16499 N1 U B 823 -877.870 -42.231 79.714 1.00855.43 N ATOM 16500 C2 U B 823 -877.220 -41.056 79.397 1.00855.43 C ATOM 16501 O2 U B 823 -877.669 -39.957 79.680 1.00855.43 O ATOM 16502 N3 U B 823 -876.026 -41.211 78.738 1.00855.43 N ATOM 16503 C4 U B 823 -875.425 -42.398 78.374 1.00855.43 C ATOM 16504 O4 U B 823 -874.350 -42.374 77.775 1.00855.43 O ATOM 16505 C5 U B 823 -876.156 -43.574 78.747 1.00855.43 C ATOM 16506 C6 U B 823 -877.323 -43.454 79.390 1.00855.43 C ATOM 16507 P U B 824 -882.723 -44.789 78.144 1.00855.43 P ATOM 16508 O1P U B 824 -881.698 -45.863 78.161 1.00855.43 O ATOM 16509 O2P U B 824 -883.155 -44.205 76.850 1.00855.43 O ATOM 16510 O5* U B 824 -884.008 -45.319 78.916 1.00855.43 O ATOM 16511 C5* U B 824 -883.883 -46.321 79.923 1.00855.43 C ATOM 16512 C4* U B 824 -885.140 -46.390 80.751 1.00855.43 C ATOM 16513 O4* U B 824 -885.270 -45.202 81.567 1.00855.43 O ATOM 16514 C3* U B 824 -886.413 -46.481 79.949 1.00855.43 C ATOM 16515 O3* U B 824 -886.672 -47.855 79.696 1.00855.43 O ATOM 16516 C2* U B 824 -887.460 -45.871 80.879 1.00855.43 C ATOM 16517 O2* U B 824 -888.048 -46.815 81.746 1.00855.43 O ATOM 16518 C1* U B 824 -886.643 -44.861 81.684 1.00855.43 C ATOM 16519 N1 U B 824 -886.828 -43.463 81.276 1.00855.43 N ATOM 16520 C2 U B 824 -887.361 -42.595 82.211 1.00855.43 C ATOM 16521 O2 U B 824 -887.651 -42.942 83.345 1.00855.43 O ATOM 16522 N3 U B 824 -887.540 -41.307 81.774 1.00855.43 N ATOM 16523 C4 U B 824 -887.244 -40.804 80.523 1.00855.43 C ATOM 16524 O4 U B 824 -887.478 -39.624 80.277 1.00855.43 O ATOM 16525 C5 U B 824 -886.686 -41.761 79.614 1.00855.43 C ATOM 16526 C6 U B 824 -886.502 -43.025 80.013 1.00855.43 C ATOM 16527 P C B 825 -887.839 -48.273 78.679 1.00855.43 P ATOM 16528 O1P C B 825 -887.373 -49.483 77.955 1.00855.43 O ATOM 16529 O2P C B 825 -888.255 -47.074 77.909 1.00855.43 O ATOM 16530 O5* C B 825 -889.037 -48.708 79.631 1.00855.43 O ATOM 16531 C5* C B 825 -890.125 -47.830 79.917 1.00855.43 C ATOM 16532 C4* C B 825 -891.410 -48.461 79.459 1.00855.43 C ATOM 16533 O4* C B 825 -892.524 -47.541 79.560 1.00855.43 O ATOM 16534 C3* C B 825 -891.352 -48.931 78.015 1.00855.43 C ATOM 16535 O3* C B 825 -890.815 -50.240 77.914 1.00855.43 O ATOM 16536 C2* C B 825 -892.821 -48.884 77.610 1.00855.43 C ATOM 16537 O2* C B 825 -893.528 -50.042 78.007 1.00855.43 O ATOM 16538 C1* C B 825 -893.338 -47.689 78.416 1.00855.43 C ATOM 16539 N1 C B 825 -893.357 -46.435 77.645 1.00855.43 N ATOM 16540 C2 C B 825 -894.505 -46.135 76.923 1.00855.43 C ATOM 16541 O2 C B 825 -895.463 -46.919 76.984 1.00855.43 O ATOM 16542 N3 C B 825 -894.554 -45.010 76.177 1.00855.43 N ATOM 16543 C4 C B 825 -893.499 -44.194 76.139 1.00855.43 C ATOM 16544 N4 C B 825 -893.586 -43.101 75.380 1.00855.43 N ATOM 16545 C5 C B 825 -892.309 -44.464 76.884 1.00855.43 C ATOM 16546 C6 C B 825 -892.282 -45.589 77.621 1.00855.43 C ATOM 16547 P U B 826 -890.111 -50.702 76.547 1.00855.43 P ATOM 16548 O1P U B 826 -889.501 -52.037 76.778 1.00855.43 O ATOM 16549 O2P U B 826 -889.267 -49.585 76.052 1.00855.43 O ATOM 16550 O5* U B 826 -891.337 -50.879 75.551 1.00855.43 O ATOM 16551 C5* U B 826 -892.282 -51.924 75.756 1.00855.43 C ATOM 16552 C4* U B 826 -893.416 -51.820 74.767 1.00855.43 C ATOM 16553 O4* U B 826 -894.224 -50.642 75.013 1.00855.43 O ATOM 16554 C3* U B 826 -893.012 -51.708 73.309 1.00855.43 C ATOM 16555 O3* U B 826 -892.724 -52.979 72.759 1.00855.43 O ATOM 16556 C2* U B 826 -894.246 -51.091 72.667 1.00855.43 C ATOM 16557 O2* U B 826 -895.215 -52.065 72.359 1.00855.43 O ATOM 16558 C1* U B 826 -894.779 -50.193 73.786 1.00855.43 C ATOM 16559 N1 U B 826 -894.439 -48.778 73.601 1.00855.43 N ATOM 16560 C2 U B 826 -895.390 -47.954 73.034 1.00855.43 C ATOM 16561 O2 U B 826 -896.496 -48.345 72.721 1.00855.43 O ATOM 16562 N3 U B 826 -895.004 -46.652 72.855 1.00855.43 N ATOM 16563 C4 U B 826 -893.799 -46.101 73.198 1.00855.43 C ATOM 16564 O4 U B 826 -893.555 -44.935 72.886 1.00855.43 O ATOM 16565 C5 U B 826 -892.884 -47.015 73.808 1.00855.43 C ATOM 16566 C6 U B 826 -893.222 -48.289 73.974 1.00855.43 C ATOM 16567 P C B 827 -891.882 -53.079 71.399 1.00855.43 P ATOM 16568 O1P C B 827 -891.762 -54.529 71.121 1.00855.43 O ATOM 16569 O2P C B 827 -890.657 -52.251 71.528 1.00855.43 O ATOM 16570 O5* C B 827 -892.835 -52.409 70.311 1.00855.43 O ATOM 16571 C5* C B 827 -892.464 -52.400 68.937 1.00855.43 C ATOM 16572 C4* C B 827 -893.370 -51.486 68.145 1.00855.43 C ATOM 16573 O4* C B 827 -893.295 -50.139 68.682 1.00855.43 O ATOM 16574 C3* C B 827 -893.046 -51.300 66.685 1.00855.43 C ATOM 16575 O3* C B 827 -893.603 -52.362 65.921 1.00855.43 O ATOM 16576 C2* C B 827 -893.715 -49.976 66.344 1.00855.43 C ATOM 16577 O2* C B 827 -895.087 -50.120 66.041 1.00855.43 O ATOM 16578 C1* C B 827 -893.565 -49.202 67.651 1.00855.43 C ATOM 16579 N1 C B 827 -892.460 -48.236 67.581 1.00855.43 N ATOM 16580 C2 C B 827 -892.751 -46.876 67.728 1.00855.43 C ATOM 16581 O2 C B 827 -893.927 -46.534 67.921 1.00855.43 O ATOM 16582 N3 C B 827 -891.748 -45.973 67.651 1.00855.43 N ATOM 16583 C4 C B 827 -890.498 -46.385 67.432 1.00855.43 C ATOM 16584 N4 C B 827 -889.535 -45.459 67.365 1.00855.43 N ATOM 16585 C5 C B 827 -890.175 -47.762 67.276 1.00855.43 C ATOM 16586 C6 C B 827 -891.175 -48.646 67.360 1.00855.43 C ATOM 16587 P C B 828 -892.973 -52.721 64.488 1.00855.43 P ATOM 16588 O1P C B 828 -893.301 -54.141 64.201 1.00855.43 O ATOM 16589 O2P C B 828 -891.553 -52.280 64.485 1.00855.43 O ATOM 16590 O5* C B 828 -893.784 -51.804 63.466 1.00855.43 O ATOM 16591 C5* C B 828 -894.807 -52.361 62.647 1.00855.43 C ATOM 16592 C4* C B 828 -895.171 -51.416 61.521 1.00855.43 C ATOM 16593 O4* C B 828 -895.470 -50.095 62.037 1.00855.43 O ATOM 16594 C3* C B 828 -894.054 -51.233 60.502 1.00855.43 C ATOM 16595 O3* C B 828 -894.140 -52.205 59.470 1.00855.43 O ATOM 16596 C2* C B 828 -894.316 -49.828 59.962 1.00855.43 C ATOM 16597 O2* C B 828 -895.268 -49.816 58.918 1.00855.43 O ATOM 16598 C1* C B 828 -894.899 -49.117 61.186 1.00855.43 C ATOM 16599 N1 C B 828 -893.899 -48.344 61.944 1.00855.43 N ATOM 16600 C2 C B 828 -893.835 -46.959 61.750 1.00855.43 C ATOM 16601 O2 C B 828 -894.616 -46.427 60.949 1.00855.43 O ATOM 16602 N3 C B 828 -892.921 -46.234 62.435 1.00855.43 N ATOM 16603 C4 C B 828 -892.092 -46.843 63.285 1.00855.43 C ATOM 16604 N4 C B 828 -891.205 -46.088 63.938 1.00855.43 N ATOM 16605 C5 C B 828 -892.135 -48.253 63.505 1.00855.43 C ATOM 16606 C6 C B 828 -893.046 -48.959 62.819 1.00855.43 C ATOM 16607 P C B 829 -892.805 -52.940 58.965 1.00855.43 P ATOM 16608 O1P C B 829 -893.218 -54.211 58.314 1.00855.43 O ATOM 16609 O2P C B 829 -891.830 -52.972 60.083 1.00855.43 O ATOM 16610 O5* C B 829 -892.241 -51.968 57.834 1.00855.43 O ATOM 16611 C5* C B 829 -892.548 -52.196 56.463 1.00855.43 C ATOM 16612 C4* C B 829 -892.102 -51.023 55.624 1.00855.43 C ATOM 16613 O4* C B 829 -892.642 -49.789 56.158 1.00855.43 O ATOM 16614 C3* C B 829 -890.590 -50.805 55.523 1.00855.43 C ATOM 16615 O3* C B 829 -889.991 -51.582 54.494 1.00855.43 O ATOM 16616 C2* C B 829 -890.492 -49.311 55.241 1.00855.43 C ATOM 16617 O2* C B 829 -890.673 -48.998 53.876 1.00855.43 O ATOM 16618 C1* C B 829 -891.675 -48.759 56.043 1.00855.43 C ATOM 16619 N1 C B 829 -891.285 -48.314 57.389 1.00855.43 N ATOM 16620 C2 C B 829 -890.961 -46.965 57.577 1.00855.43 C ATOM 16621 O2 C B 829 -891.023 -46.195 56.607 1.00855.43 O ATOM 16622 N3 C B 829 -890.590 -46.537 58.804 1.00855.43 N ATOM 16623 C4 C B 829 -890.536 -47.401 59.823 1.00855.43 C ATOM 16624 N4 C B 829 -890.161 -46.931 61.015 1.00855.43 N ATOM 16625 C5 C B 829 -890.865 -48.778 59.661 1.00855.43 C ATOM 16626 C6 C B 829 -891.232 -49.188 58.440 1.00855.43 C ATOM 16627 P C B 830 -888.505 -52.158 54.704 1.00855.43 P ATOM 16628 O1P C B 830 -888.223 -53.081 53.574 1.00855.43 O ATOM 16629 O2P C B 830 -888.384 -52.650 56.099 1.00855.43 O ATOM 16630 O5* C B 830 -887.583 -50.873 54.539 1.00855.43 O ATOM 16631 C5* C B 830 -887.336 -50.332 53.245 1.00855.43 C ATOM 16632 C4* C B 830 -886.343 -49.195 53.318 1.00855.43 C ATOM 16633 O4* C B 830 -886.775 -48.188 54.268 1.00855.43 O ATOM 16634 C3* C B 830 -884.930 -49.562 53.713 1.00855.43 C ATOM 16635 O3* C B 830 -884.204 -49.981 52.565 1.00855.43 O ATOM 16636 C2* C B 830 -884.390 -48.249 54.272 1.00855.43 C ATOM 16637 O2* C B 830 -883.914 -47.389 53.256 1.00855.43 O ATOM 16638 C1* C B 830 -885.640 -47.626 54.900 1.00855.43 C ATOM 16639 N1 C B 830 -885.729 -47.827 56.355 1.00855.43 N ATOM 16640 C2 C B 830 -885.653 -46.704 57.186 1.00855.43 C ATOM 16641 O2 C B 830 -885.526 -45.583 56.671 1.00855.43 O ATOM 16642 N3 C B 830 -885.715 -46.866 58.529 1.00855.43 N ATOM 16643 C4 C B 830 -885.852 -48.086 59.045 1.00855.43 C ATOM 16644 N4 C B 830 -885.903 -48.197 60.375 1.00855.43 N ATOM 16645 C5 C B 830 -885.941 -49.251 58.221 1.00855.43 C ATOM 16646 C6 C B 830 -885.877 -49.076 56.893 1.00855.43 C ATOM 16647 P G B 831 -882.962 -50.979 52.732 1.00855.43 P ATOM 16648 O1P G B 831 -882.405 -51.233 51.380 1.00855.43 O ATOM 16649 O2P G B 831 -883.395 -52.123 53.570 1.00855.43 O ATOM 16650 O5* G B 831 -881.903 -50.123 53.555 1.00855.43 O ATOM 16651 C5* G B 831 -881.050 -49.200 52.890 1.00855.43 C ATOM 16652 C4* G B 831 -880.069 -48.592 53.861 1.00855.43 C ATOM 16653 O4* G B 831 -880.770 -47.919 54.938 1.00855.43 O ATOM 16654 C3* G B 831 -879.149 -49.605 54.530 1.00855.43 C ATOM 16655 O3* G B 831 -878.002 -49.846 53.725 1.00855.43 O ATOM 16656 C2* G B 831 -878.816 -48.924 55.854 1.00855.43 C ATOM 16657 O2* G B 831 -877.787 -47.971 55.721 1.00855.43 O ATOM 16658 C1* G B 831 -880.122 -48.188 56.167 1.00855.43 C ATOM 16659 N9 G B 831 -881.020 -48.974 57.008 1.00855.43 N ATOM 16660 C8 G B 831 -882.142 -49.652 56.601 1.00855.43 C ATOM 16661 N7 G B 831 -882.741 -50.283 57.574 1.00855.43 N ATOM 16662 C5 G B 831 -881.969 -50.004 58.692 1.00855.43 C ATOM 16663 C6 G B 831 -882.121 -50.422 60.038 1.00855.43 C ATOM 16664 O6 G B 831 -883.002 -51.147 60.523 1.00855.43 O ATOM 16665 N1 G B 831 -881.112 -49.917 60.849 1.00855.43 N ATOM 16666 C2 G B 831 -880.090 -49.107 60.425 1.00855.43 C ATOM 16667 N2 G B 831 -879.219 -48.726 61.365 1.00855.43 N ATOM 16668 N3 G B 831 -879.932 -48.702 59.171 1.00855.43 N ATOM 16669 C4 G B 831 -880.902 -49.190 58.363 1.00855.43 C ATOM 16670 P A B 832 -877.014 -51.064 54.087 1.00855.43 P ATOM 16671 O1P A B 832 -877.053 -52.033 52.962 1.00855.43 O ATOM 16672 O2P A B 832 -877.329 -51.525 55.465 1.00855.43 O ATOM 16673 O5* A B 832 -875.578 -50.379 54.108 1.00855.43 O ATOM 16674 C5* A B 832 -874.537 -50.948 54.886 1.00855.43 C ATOM 16675 C4* A B 832 -873.530 -49.888 55.266 1.00855.43 C ATOM 16676 O4* A B 832 -874.171 -48.924 56.131 1.00855.43 O ATOM 16677 C3* A B 832 -872.284 -50.307 56.033 1.00855.43 C ATOM 16678 O3* A B 832 -871.263 -50.871 55.221 1.00855.43 O ATOM 16679 C2* A B 832 -871.862 -49.005 56.702 1.00855.43 C ATOM 16680 O2* A B 832 -871.123 -48.166 55.838 1.00855.43 O ATOM 16681 C1* A B 832 -873.220 -48.363 57.013 1.00855.43 C ATOM 16682 N9 A B 832 -873.688 -48.645 58.367 1.00855.43 N ATOM 16683 C8 A B 832 -874.625 -49.579 58.726 1.00855.43 C ATOM 16684 N7 A B 832 -874.853 -49.633 60.016 1.00855.43 N ATOM 16685 C5 A B 832 -874.006 -48.669 60.541 1.00855.43 C ATOM 16686 C6 A B 832 -873.771 -48.239 61.854 1.00855.43 C ATOM 16687 N6 A B 832 -874.391 -48.746 62.924 1.00855.43 N ATOM 16688 N1 A B 832 -872.864 -47.252 62.040 1.00855.43 N ATOM 16689 C2 A B 832 -872.244 -46.744 60.967 1.00855.43 C ATOM 16690 N3 A B 832 -872.380 -47.066 59.683 1.00855.43 N ATOM 16691 C4 A B 832 -873.286 -48.047 59.534 1.00855.43 C ATOM 16692 P A B 833 -869.959 -51.507 55.911 1.00855.43 P ATOM 16693 O1P A B 833 -869.290 -52.378 54.915 1.00855.43 O ATOM 16694 O2P A B 833 -870.358 -52.071 57.229 1.00855.43 O ATOM 16695 O5* A B 833 -869.018 -50.251 56.180 1.00855.43 O ATOM 16696 C5* A B 833 -868.262 -49.653 55.131 1.00855.43 C ATOM 16697 C4* A B 833 -867.501 -48.468 55.666 1.00855.43 C ATOM 16698 O4* A B 833 -868.409 -47.611 56.403 1.00855.43 O ATOM 16699 C3* A B 833 -866.378 -48.718 56.644 1.00855.43 C ATOM 16700 O3* A B 833 -865.211 -49.114 55.937 1.00855.43 O ATOM 16701 C2* A B 833 -866.248 -47.384 57.361 1.00855.43 C ATOM 16702 O2* A B 833 -865.492 -46.440 56.627 1.00855.43 O ATOM 16703 C1* A B 833 -867.708 -46.944 57.440 1.00855.43 C ATOM 16704 N9 A B 833 -868.330 -47.345 58.702 1.00855.43 N ATOM 16705 C8 A B 833 -869.436 -48.146 58.846 1.00855.43 C ATOM 16706 N7 A B 833 -869.768 -48.375 60.091 1.00855.43 N ATOM 16707 C5 A B 833 -868.818 -47.672 60.820 1.00855.43 C ATOM 16708 C6 A B 833 -868.619 -47.514 62.201 1.00855.43 C ATOM 16709 N6 A B 833 -869.391 -48.079 63.131 1.00855.43 N ATOM 16710 N1 A B 833 -867.583 -46.746 62.604 1.00855.43 N ATOM 16711 C2 A B 833 -866.805 -46.182 61.667 1.00855.43 C ATOM 16712 N3 A B 833 -866.887 -46.260 60.342 1.00855.43 N ATOM 16713 C4 A B 833 -867.929 -47.028 59.977 1.00855.43 C ATOM 16714 P A B 834 -864.004 -49.817 56.731 1.00855.43 P ATOM 16715 O1P A B 834 -862.817 -49.809 55.841 1.00855.43 O ATOM 16716 O2P A B 834 -864.499 -51.103 57.280 1.00855.43 O ATOM 16717 O5* A B 834 -863.728 -48.823 57.943 1.00855.43 O ATOM 16718 C5* A B 834 -862.560 -48.008 57.956 1.00855.43 C ATOM 16719 C4* A B 834 -861.593 -48.487 59.014 1.00855.43 C ATOM 16720 O4* A B 834 -862.264 -48.543 60.300 1.00855.43 O ATOM 16721 C3* A B 834 -861.093 -49.885 58.784 1.00855.43 C ATOM 16722 O3* A B 834 -859.963 -49.819 57.927 1.00855.43 O ATOM 16723 C2* A B 834 -860.736 -50.360 60.184 1.00855.43 C ATOM 16724 O2* A B 834 -859.455 -49.923 60.596 1.00855.43 O ATOM 16725 C1* A B 834 -861.813 -49.675 61.024 1.00855.43 C ATOM 16726 N9 A B 834 -862.951 -50.570 61.232 1.00855.43 N ATOM 16727 C8 A B 834 -864.031 -50.753 60.406 1.00855.43 C ATOM 16728 N7 A B 834 -864.875 -51.659 60.838 1.00855.43 N ATOM 16729 C5 A B 834 -864.316 -52.094 62.032 1.00855.43 C ATOM 16730 C6 A B 834 -864.727 -53.052 62.974 1.00855.43 C ATOM 16731 N6 A B 834 -865.841 -53.779 62.848 1.00855.43 N ATOM 16732 N1 A B 834 -863.945 -53.240 64.058 1.00855.43 N ATOM 16733 C2 A B 834 -862.829 -52.512 64.177 1.00855.43 C ATOM 16734 N3 A B 834 -862.334 -51.587 63.357 1.00855.43 N ATOM 16735 C4 A B 834 -863.135 -51.423 62.291 1.00855.43 C ATOM 16736 P U B 835 -859.807 -50.898 56.747 1.00855.43 P ATOM 16737 O1P U B 835 -860.861 -51.927 56.937 1.00855.43 O ATOM 16738 O2P U B 835 -858.382 -51.310 56.672 1.00855.43 O ATOM 16739 O5* U B 835 -860.158 -50.068 55.434 1.00855.43 O ATOM 16740 C5* U B 835 -859.392 -48.924 55.081 1.00855.43 C ATOM 16741 C4* U B 835 -859.807 -48.406 53.730 1.00855.43 C ATOM 16742 O4* U B 835 -861.241 -48.194 53.696 1.00855.43 O ATOM 16743 C3* U B 835 -859.203 -47.067 53.317 1.00855.43 C ATOM 16744 O3* U B 835 -857.900 -47.207 52.764 1.00855.43 O ATOM 16745 C2* U B 835 -860.228 -46.527 52.321 1.00855.43 C ATOM 16746 O2* U B 835 -860.047 -47.060 51.023 1.00855.43 O ATOM 16747 C1* U B 835 -861.540 -47.051 52.911 1.00855.43 C ATOM 16748 N1 U B 835 -862.239 -46.088 53.779 1.00855.43 N ATOM 16749 C2 U B 835 -863.234 -45.292 53.230 1.00855.43 C ATOM 16750 O2 U B 835 -863.550 -45.332 52.056 1.00855.43 O ATOM 16751 N3 U B 835 -863.850 -44.442 54.116 1.00855.43 N ATOM 16752 C4 U B 835 -863.579 -44.308 55.462 1.00855.43 C ATOM 16753 O4 U B 835 -864.245 -43.527 56.140 1.00855.43 O ATOM 16754 C5 U B 835 -862.533 -45.152 55.946 1.00855.43 C ATOM 16755 C6 U B 835 -861.914 -45.991 55.112 1.00855.43 C ATOM 16756 P G B 836 -856.746 -46.179 53.189 1.00855.43 P ATOM 16757 O1P G B 836 -855.489 -46.611 52.529 1.00855.43 O ATOM 16758 O2P G B 836 -856.779 -46.010 54.666 1.00855.43 O ATOM 16759 O5* G B 836 -857.211 -44.816 52.521 1.00855.43 O ATOM 16760 C5* G B 836 -856.812 -44.487 51.197 1.00855.43 C ATOM 16761 C4* G B 836 -857.130 -43.043 50.911 1.00855.43 C ATOM 16762 O4* G B 836 -858.548 -42.798 51.085 1.00855.43 O ATOM 16763 C3* G B 836 -856.437 -42.026 51.806 1.00855.43 C ATOM 16764 O3* G B 836 -855.119 -41.755 51.352 1.00855.43 O ATOM 16765 C2* G B 836 -857.369 -40.824 51.728 1.00855.43 C ATOM 16766 O2* G B 836 -857.134 -40.023 50.585 1.00855.43 O ATOM 16767 C1* G B 836 -858.740 -41.498 51.612 1.00855.43 C ATOM 16768 N9 G B 836 -859.439 -41.611 52.891 1.00855.43 N ATOM 16769 C8 G B 836 -859.274 -42.573 53.861 1.00855.43 C ATOM 16770 N7 G B 836 -860.054 -42.396 54.894 1.00855.43 N ATOM 16771 C5 G B 836 -860.777 -41.249 54.588 1.00855.43 C ATOM 16772 C6 G B 836 -861.787 -40.553 55.322 1.00855.43 C ATOM 16773 O6 G B 836 -862.270 -40.815 56.430 1.00855.43 O ATOM 16774 N1 G B 836 -862.241 -39.436 54.629 1.00855.43 N ATOM 16775 C2 G B 836 -861.790 -39.035 53.399 1.00855.43 C ATOM 16776 N2 G B 836 -862.343 -37.927 52.898 1.00855.43 N ATOM 16777 N3 G B 836 -860.864 -39.666 52.707 1.00855.43 N ATOM 16778 C4 G B 836 -860.403 -40.755 53.354 1.00855.43 C ATOM 16779 P U B 837 -854.071 -41.062 52.350 1.00855.43 P ATOM 16780 O1P U B 837 -852.751 -41.037 51.668 1.00855.43 O ATOM 16781 O2P U B 837 -854.200 -41.699 53.686 1.00855.43 O ATOM 16782 O5* U B 837 -854.608 -39.568 52.451 1.00855.43 O ATOM 16783 C5* U B 837 -854.433 -38.666 51.367 1.00855.43 C ATOM 16784 C4* U B 837 -855.237 -37.416 51.592 1.00855.43 C ATOM 16785 O4* U B 837 -856.648 -37.733 51.713 1.00855.43 O ATOM 16786 C3* U B 837 -854.918 -36.642 52.852 1.00855.43 C ATOM 16787 O3* U B 837 -853.764 -35.835 52.706 1.00855.43 O ATOM 16788 C2* U B 837 -856.194 -35.839 53.076 1.00855.43 C ATOM 16789 O2* U B 837 -856.242 -34.666 52.287 1.00855.43 O ATOM 16790 C1* U B 837 -857.263 -36.828 52.615 1.00855.43 C ATOM 16791 N1 U B 837 -857.782 -37.586 53.762 1.00855.43 N ATOM 16792 C2 U B 837 -858.982 -37.179 54.314 1.00855.43 C ATOM 16793 O2 U B 837 -859.635 -36.258 53.860 1.00855.43 O ATOM 16794 N3 U B 837 -859.385 -37.887 55.416 1.00855.43 N ATOM 16795 C4 U B 837 -858.727 -38.947 56.005 1.00855.43 C ATOM 16796 O4 U B 837 -859.195 -39.456 57.026 1.00855.43 O ATOM 16797 C5 U B 837 -857.508 -39.325 55.364 1.00855.43 C ATOM 16798 C6 U B 837 -857.088 -38.653 54.288 1.00855.43 C ATOM 16799 P A B 838 -852.894 -35.473 54.009 1.00855.43 P ATOM 16800 O1P A B 838 -852.009 -34.331 53.678 1.00855.43 O ATOM 16801 O2P A B 838 -852.302 -36.733 54.531 1.00855.43 O ATOM 16802 O5* A B 838 -853.989 -34.984 55.054 1.00855.43 O ATOM 16803 C5* A B 838 -854.440 -33.636 55.047 1.00855.43 C ATOM 16804 C4* A B 838 -854.727 -33.172 56.453 1.00855.43 C ATOM 16805 O4* A B 838 -856.021 -33.667 56.886 1.00855.43 O ATOM 16806 C3* A B 838 -853.793 -33.631 57.548 1.00855.43 C ATOM 16807 O3* A B 838 -852.580 -32.902 57.561 1.00855.43 O ATOM 16808 C2* A B 838 -854.632 -33.441 58.804 1.00855.43 C ATOM 16809 O2* A B 838 -854.636 -32.101 59.258 1.00855.43 O ATOM 16810 C1* A B 838 -856.022 -33.825 58.294 1.00855.43 C ATOM 16811 N9 A B 838 -856.313 -35.224 58.610 1.00855.43 N ATOM 16812 C8 A B 838 -855.879 -36.367 57.989 1.00855.43 C ATOM 16813 N7 A B 838 -856.309 -37.472 58.556 1.00855.43 N ATOM 16814 C5 A B 838 -857.087 -37.022 59.615 1.00855.43 C ATOM 16815 C6 A B 838 -857.830 -37.692 60.617 1.00855.43 C ATOM 16816 N6 A B 838 -857.933 -39.015 60.726 1.00855.43 N ATOM 16817 N1 A B 838 -858.485 -36.934 61.523 1.00855.43 N ATOM 16818 C2 A B 838 -858.398 -35.605 61.429 1.00855.43 C ATOM 16819 N3 A B 838 -857.739 -34.863 60.544 1.00855.43 N ATOM 16820 C4 A B 838 -857.098 -35.641 59.657 1.00855.43 C ATOM 16821 P U B 839 -851.275 -33.576 58.208 1.00855.43 P ATOM 16822 O1P U B 839 -850.102 -32.841 57.672 1.00855.43 O ATOM 16823 O2P U B 839 -851.375 -35.044 57.997 1.00855.43 O ATOM 16824 O5* U B 839 -851.426 -33.291 59.769 1.00855.43 O ATOM 16825 C5* U B 839 -851.801 -32.002 60.240 1.00855.43 C ATOM 16826 C4* U B 839 -852.386 -32.090 61.634 1.00855.43 C ATOM 16827 O4* U B 839 -853.653 -32.794 61.589 1.00855.43 O ATOM 16828 C3* U B 839 -851.528 -32.872 62.606 1.00855.43 C ATOM 16829 O3* U B 839 -850.565 -32.039 63.241 1.00855.43 O ATOM 16830 C2* U B 839 -852.546 -33.398 63.615 1.00855.43 C ATOM 16831 O2* U B 839 -852.851 -32.444 64.616 1.00855.43 O ATOM 16832 C1* U B 839 -853.781 -33.616 62.737 1.00855.43 C ATOM 16833 N1 U B 839 -853.928 -35.014 62.306 1.00855.43 N ATOM 16834 C2 U B 839 -855.079 -35.681 62.683 1.00855.43 C ATOM 16835 O2 U B 839 -855.970 -35.161 63.334 1.00855.43 O ATOM 16836 N3 U B 839 -855.154 -36.989 62.271 1.00855.43 N ATOM 16837 C4 U B 839 -854.218 -37.680 61.536 1.00855.43 C ATOM 16838 O4 U B 839 -854.422 -38.865 61.260 1.00855.43 O ATOM 16839 C5 U B 839 -853.059 -36.920 61.176 1.00855.43 C ATOM 16840 C6 U B 839 -852.958 -35.644 61.565 1.00855.43 C ATOM 16841 P U B 840 -849.148 -32.655 63.686 1.00855.43 P ATOM 16842 O1P U B 840 -848.264 -31.515 64.039 1.00855.43 O ATOM 16843 O2P U B 840 -848.716 -33.624 62.648 1.00855.43 O ATOM 16844 O5* U B 840 -849.467 -33.466 65.022 1.00855.43 O ATOM 16845 C5* U B 840 -850.155 -32.855 66.114 1.00855.43 C ATOM 16846 C4* U B 840 -849.514 -33.255 67.422 1.00855.43 C ATOM 16847 O4* U B 840 -848.222 -32.608 67.527 1.00855.43 O ATOM 16848 C3* U B 840 -850.271 -32.836 68.690 1.00855.43 C ATOM 16849 O3* U B 840 -851.204 -33.831 69.114 1.00855.43 O ATOM 16850 C2* U B 840 -849.155 -32.735 69.729 1.00855.43 C ATOM 16851 O2* U B 840 -848.878 -33.976 70.351 1.00855.43 O ATOM 16852 C1* U B 840 -847.950 -32.318 68.883 1.00855.43 C ATOM 16853 N1 U B 840 -847.531 -30.911 68.992 1.00855.43 N ATOM 16854 C2 U B 840 -846.835 -30.533 70.121 1.00855.43 C ATOM 16855 O2 U B 840 -846.588 -31.302 71.037 1.00855.43 O ATOM 16856 N3 U B 840 -846.434 -29.220 70.144 1.00855.43 N ATOM 16857 C4 U B 840 -846.663 -28.267 69.174 1.00855.43 C ATOM 16858 O4 U B 840 -846.201 -27.134 69.320 1.00855.43 O ATOM 16859 C5 U B 840 -847.411 -28.733 68.046 1.00855.43 C ATOM 16860 C6 U B 840 -847.808 -30.006 67.995 1.00855.43 C ATOM 16861 P G B 841 -852.782 -33.568 68.970 1.00855.43 P ATOM 16862 O1P G B 841 -853.005 -32.101 68.986 1.00855.43 O ATOM 16863 O2P G B 841 -853.480 -34.428 69.961 1.00855.43 O ATOM 16864 O5* G B 841 -853.132 -34.113 67.514 1.00855.43 O ATOM 16865 C5* G B 841 -854.470 -34.462 67.178 1.00855.43 C ATOM 16866 C4* G B 841 -854.509 -35.748 66.386 1.00855.43 C ATOM 16867 O4* G B 841 -853.591 -35.683 65.266 1.00855.43 O ATOM 16868 C3* G B 841 -854.140 -36.982 67.191 1.00855.43 C ATOM 16869 O3* G B 841 -855.291 -37.534 67.825 1.00855.43 O ATOM 16870 C2* G B 841 -853.619 -37.921 66.103 1.00855.43 C ATOM 16871 O2* G B 841 -854.666 -38.605 65.446 1.00855.43 O ATOM 16872 C1* G B 841 -852.986 -36.949 65.099 1.00855.43 C ATOM 16873 N9 G B 841 -851.530 -36.822 65.156 1.00855.43 N ATOM 16874 C8 G B 841 -850.734 -36.256 64.191 1.00855.43 C ATOM 16875 N7 G B 841 -849.463 -36.290 64.488 1.00855.43 N ATOM 16876 C5 G B 841 -849.415 -36.909 65.727 1.00855.43 C ATOM 16877 C6 G B 841 -848.305 -37.225 66.551 1.00855.43 C ATOM 16878 O6 G B 841 -847.103 -37.009 66.340 1.00855.43 O ATOM 16879 N1 G B 841 -848.700 -37.853 67.724 1.00855.43 N ATOM 16880 C2 G B 841 -850.000 -38.146 68.063 1.00855.43 C ATOM 16881 N2 G B 841 -850.173 -38.755 69.244 1.00855.43 N ATOM 16882 N3 G B 841 -851.046 -37.859 67.306 1.00855.43 N ATOM 16883 C4 G B 841 -850.682 -37.245 66.159 1.00855.43 C ATOM 16884 P A B 842 -855.224 -37.958 69.377 1.00855.43 P ATOM 16885 O1P A B 842 -856.511 -38.628 69.700 1.00855.43 O ATOM 16886 O2P A B 842 -854.796 -36.776 70.164 1.00855.43 O ATOM 16887 O5* A B 842 -854.066 -39.053 69.443 1.00855.43 O ATOM 16888 C5* A B 842 -854.373 -40.442 69.536 1.00855.43 C ATOM 16889 C4* A B 842 -855.002 -40.930 68.246 1.00855.43 C ATOM 16890 O4* A B 842 -854.126 -40.600 67.146 1.00855.43 O ATOM 16891 C3* A B 842 -855.255 -42.436 68.129 1.00855.43 C ATOM 16892 O3* A B 842 -856.532 -42.795 68.645 1.00855.43 O ATOM 16893 C2* A B 842 -855.229 -42.657 66.617 1.00855.43 C ATOM 16894 O2* A B 842 -856.484 -42.425 66.014 1.00855.43 O ATOM 16895 C1* A B 842 -854.245 -41.585 66.143 1.00855.43 C ATOM 16896 N9 A B 842 -852.911 -42.035 65.754 1.00855.43 N ATOM 16897 C8 A B 842 -852.200 -43.137 66.166 1.00855.43 C ATOM 16898 N7 A B 842 -850.999 -43.217 65.641 1.00855.43 N ATOM 16899 C5 A B 842 -850.921 -42.101 64.820 1.00855.43 C ATOM 16900 C6 A B 842 -849.902 -41.603 63.984 1.00855.43 C ATOM 16901 N6 A B 842 -848.710 -42.181 63.842 1.00855.43 N ATOM 16902 N1 A B 842 -850.154 -40.467 63.298 1.00855.43 N ATOM 16903 C2 A B 842 -851.344 -39.876 63.446 1.00855.43 C ATOM 16904 N3 A B 842 -852.375 -40.239 64.204 1.00855.43 N ATOM 16905 C4 A B 842 -852.097 -41.372 64.872 1.00855.43 C ATOM 16906 P G B 843 -856.641 -43.738 69.935 1.00855.43 P ATOM 16907 O1P G B 843 -857.921 -43.395 70.596 1.00855.43 O ATOM 16908 O2P G B 843 -855.370 -43.637 70.699 1.00855.43 O ATOM 16909 O5* G B 843 -856.744 -45.217 69.346 1.00855.43 O ATOM 16910 C5* G B 843 -857.218 -45.467 68.022 1.00855.43 C ATOM 16911 C4* G B 843 -858.611 -46.052 68.070 1.00855.43 C ATOM 16912 O4* G B 843 -858.565 -47.262 68.860 1.00855.43 O ATOM 16913 C3* G B 843 -859.688 -45.166 68.727 1.00855.43 C ATOM 16914 O3* G B 843 -860.167 -44.161 67.811 1.00855.43 O ATOM 16915 C2* G B 843 -860.668 -46.190 69.314 1.00855.43 C ATOM 16916 O2* G B 843 -861.693 -46.649 68.467 1.00855.43 O ATOM 16917 C1* G B 843 -859.753 -47.383 69.610 1.00855.43 C ATOM 16918 N9 G B 843 -859.401 -47.691 70.995 1.00855.43 N ATOM 16919 C8 G B 843 -858.211 -48.188 71.467 1.00855.43 C ATOM 16920 N7 G B 843 -858.227 -48.420 72.754 1.00855.43 N ATOM 16921 C5 G B 843 -859.501 -48.041 73.152 1.00855.43 C ATOM 16922 C6 G B 843 -860.109 -48.072 74.436 1.00855.43 C ATOM 16923 O6 G B 843 -859.633 -48.462 75.508 1.00855.43 O ATOM 16924 N1 G B 843 -861.416 -47.590 74.391 1.00855.43 N ATOM 16925 C2 G B 843 -862.054 -47.144 73.261 1.00855.43 C ATOM 16926 N2 G B 843 -863.314 -46.713 73.425 1.00855.43 N ATOM 16927 N3 G B 843 -861.501 -47.116 72.062 1.00855.43 N ATOM 16928 C4 G B 843 -860.232 -47.575 72.082 1.00855.43 C ATOM 16929 P G B 844 -861.148 -42.973 68.298 1.00855.43 P ATOM 16930 O1P G B 844 -862.288 -43.550 69.055 1.00855.43 O ATOM 16931 O2P G B 844 -861.431 -42.148 67.097 1.00855.43 O ATOM 16932 O5* G B 844 -860.251 -42.095 69.273 1.00855.43 O ATOM 16933 C5* G B 844 -860.759 -41.612 70.513 1.00855.43 C ATOM 16934 C4* G B 844 -860.886 -40.110 70.464 1.00855.43 C ATOM 16935 O4* G B 844 -859.566 -39.557 70.224 1.00855.43 O ATOM 16936 C3* G B 844 -861.727 -39.565 69.327 1.00855.43 C ATOM 16937 O3* G B 844 -863.110 -39.531 69.656 1.00855.43 O ATOM 16938 C2* G B 844 -861.149 -38.173 69.113 1.00855.43 C ATOM 16939 O2* G B 844 -861.653 -37.225 70.031 1.00855.43 O ATOM 16940 C1* G B 844 -859.665 -38.418 69.384 1.00855.43 C ATOM 16941 N9 G B 844 -858.961 -38.704 68.139 1.00855.43 N ATOM 16942 C8 G B 844 -858.634 -39.936 67.624 1.00855.43 C ATOM 16943 N7 G B 844 -858.042 -39.865 66.463 1.00855.43 N ATOM 16944 C5 G B 844 -857.964 -38.502 66.201 1.00855.43 C ATOM 16945 C6 G B 844 -857.428 -37.804 65.086 1.00855.43 C ATOM 16946 O6 G B 844 -856.899 -38.259 64.068 1.00855.43 O ATOM 16947 N1 G B 844 -857.555 -36.427 65.238 1.00855.43 N ATOM 16948 C2 G B 844 -858.126 -35.798 66.316 1.00855.43 C ATOM 16949 N2 G B 844 -858.153 -34.459 66.273 1.00855.43 N ATOM 16950 N3 G B 844 -858.631 -36.436 67.358 1.00855.43 N ATOM 16951 C4 G B 844 -858.516 -37.774 67.233 1.00855.43 C ATOM 16952 P U B 845 -864.206 -39.768 68.502 1.00855.43 P ATOM 16953 O1P U B 845 -865.541 -39.822 69.154 1.00855.43 O ATOM 16954 O2P U B 845 -863.753 -40.909 67.664 1.00855.43 O ATOM 16955 O5* U B 845 -864.140 -38.446 67.611 1.00855.43 O ATOM 16956 C5* U B 845 -864.467 -37.176 68.163 1.00855.43 C ATOM 16957 C4* U B 845 -863.875 -36.061 67.323 1.00855.43 C ATOM 16958 O4* U B 845 -862.439 -36.269 67.212 1.00855.43 O ATOM 16959 C3* U B 845 -864.350 -35.974 65.883 1.00855.43 C ATOM 16960 O3* U B 845 -865.559 -35.229 65.774 1.00855.43 O ATOM 16961 C2* U B 845 -863.196 -35.256 65.197 1.00855.43 C ATOM 16962 O2* U B 845 -863.245 -33.855 65.387 1.00855.43 O ATOM 16963 C1* U B 845 -861.987 -35.829 65.938 1.00855.43 C ATOM 16964 N1 U B 845 -861.413 -36.977 65.216 1.00855.43 N ATOM 16965 C2 U B 845 -860.546 -36.722 64.160 1.00855.43 C ATOM 16966 O2 U B 845 -860.213 -35.603 63.825 1.00855.43 O ATOM 16967 N3 U B 845 -860.078 -37.836 63.505 1.00855.43 N ATOM 16968 C4 U B 845 -860.373 -39.150 63.788 1.00855.43 C ATOM 16969 O4 U B 845 -859.885 -40.043 63.088 1.00855.43 O ATOM 16970 C5 U B 845 -861.260 -39.336 64.900 1.00855.43 C ATOM 16971 C6 U B 845 -861.736 -38.270 65.561 1.00855.43 C ATOM 16972 P A B 846 -866.412 -35.311 64.410 1.00855.43 P ATOM 16973 O1P A B 846 -867.649 -34.505 64.546 1.00855.43 O ATOM 16974 O2P A B 846 -866.518 -36.742 64.033 1.00855.43 O ATOM 16975 O5* A B 846 -865.485 -34.583 63.339 1.00855.43 O ATOM 16976 C5* A B 846 -865.312 -33.169 63.367 1.00855.43 C ATOM 16977 C4* A B 846 -864.837 -32.665 62.022 1.00855.43 C ATOM 16978 O4* A B 846 -863.488 -33.125 61.755 1.00855.43 O ATOM 16979 C3* A B 846 -865.648 -33.155 60.840 1.00855.43 C ATOM 16980 O3* A B 846 -866.806 -32.357 60.641 1.00855.43 O ATOM 16981 C2* A B 846 -864.664 -33.041 59.682 1.00855.43 C ATOM 16982 O2* A B 846 -864.610 -31.737 59.141 1.00855.43 O ATOM 16983 C1* A B 846 -863.332 -33.367 60.366 1.00855.43 C ATOM 16984 N9 A B 846 -862.945 -34.764 60.179 1.00855.43 N ATOM 16985 C8 A B 846 -862.990 -35.780 61.101 1.00855.43 C ATOM 16986 N7 A B 846 -862.589 -36.934 60.634 1.00855.43 N ATOM 16987 C5 A B 846 -862.253 -36.662 59.316 1.00855.43 C ATOM 16988 C6 A B 846 -861.761 -37.477 58.283 1.00855.43 C ATOM 16989 N6 A B 846 -861.512 -38.778 58.427 1.00855.43 N ATOM 16990 N1 A B 846 -861.529 -36.899 57.083 1.00855.43 N ATOM 16991 C2 A B 846 -861.780 -35.590 56.945 1.00855.43 C ATOM 16992 N3 A B 846 -862.243 -34.719 57.843 1.00855.43 N ATOM 16993 C4 A B 846 -862.464 -35.328 59.023 1.00855.43 C ATOM 16994 P C B 847 -868.121 -33.015 59.995 1.00855.43 P ATOM 16995 O1P C B 847 -869.192 -31.991 60.041 1.00855.43 O ATOM 16996 O2P C B 847 -868.344 -34.339 60.627 1.00855.43 O ATOM 16997 O5* C B 847 -867.729 -33.243 58.468 1.00855.43 O ATOM 16998 C5* C B 847 -867.279 -32.157 57.671 1.00855.43 C ATOM 16999 C4* C B 847 -866.613 -32.657 56.410 1.00855.43 C ATOM 17000 O4* C B 847 -865.467 -33.472 56.762 1.00855.43 O ATOM 17001 C3* C B 847 -867.421 -33.569 55.503 1.00855.43 C ATOM 17002 O3* C B 847 -868.295 -32.835 54.651 1.00855.43 O ATOM 17003 C2* C B 847 -866.344 -34.292 54.704 1.00855.43 C ATOM 17004 O2* C B 847 -865.903 -33.535 53.592 1.00855.43 O ATOM 17005 C1* C B 847 -865.213 -34.408 55.729 1.00855.43 C ATOM 17006 N1 C B 847 -865.112 -35.750 56.323 1.00855.43 N ATOM 17007 C2 C B 847 -864.600 -36.794 55.541 1.00855.43 C ATOM 17008 O2 C B 847 -864.238 -36.552 54.385 1.00855.43 O ATOM 17009 N3 C B 847 -864.517 -38.036 56.065 1.00855.43 N ATOM 17010 C4 C B 847 -864.920 -38.260 57.316 1.00855.43 C ATOM 17011 N4 C B 847 -864.821 -39.513 57.779 1.00855.43 N ATOM 17012 C5 C B 847 -865.441 -37.217 58.139 1.00855.43 C ATOM 17013 C6 C B 847 -865.515 -35.987 57.607 1.00855.43 C ATOM 17014 P A B 848 -869.474 -33.601 53.869 1.00855.43 P ATOM 17015 O1P A B 848 -870.174 -32.600 53.024 1.00855.43 O ATOM 17016 O2P A B 848 -870.248 -34.399 54.855 1.00855.43 O ATOM 17017 O5* A B 848 -868.711 -34.612 52.903 1.00855.43 O ATOM 17018 C5* A B 848 -868.187 -34.171 51.653 1.00855.43 C ATOM 17019 C4* A B 848 -867.703 -35.344 50.832 1.00855.43 C ATOM 17020 O4* A B 848 -866.563 -35.952 51.492 1.00855.43 O ATOM 17021 C3* A B 848 -868.677 -36.498 50.672 1.00855.43 C ATOM 17022 O3* A B 848 -869.630 -36.297 49.637 1.00855.43 O ATOM 17023 C2* A B 848 -867.761 -37.670 50.361 1.00855.43 C ATOM 17024 O2* A B 848 -867.386 -37.724 49.000 1.00855.43 O ATOM 17025 C1* A B 848 -866.542 -37.342 51.222 1.00855.43 C ATOM 17026 N9 A B 848 -866.604 -38.073 52.486 1.00855.43 N ATOM 17027 C8 A B 848 -867.283 -37.775 53.643 1.00855.43 C ATOM 17028 N7 A B 848 -867.133 -38.679 54.584 1.00855.43 N ATOM 17029 C5 A B 848 -866.298 -39.628 54.009 1.00855.43 C ATOM 17030 C6 A B 848 -865.763 -40.841 54.482 1.00855.43 C ATOM 17031 N6 A B 848 -865.993 -41.343 55.695 1.00855.43 N ATOM 17032 N1 A B 848 -864.969 -41.542 53.645 1.00855.43 N ATOM 17033 C2 A B 848 -864.732 -41.055 52.424 1.00855.43 C ATOM 17034 N3 A B 848 -865.174 -39.935 51.868 1.00855.43 N ATOM 17035 C4 A B 848 -865.962 -39.261 52.721 1.00855.43 C ATOM 17036 P G B 849 -870.966 -37.195 49.606 1.00855.43 P ATOM 17037 O1P G B 849 -871.843 -36.645 48.544 1.00855.43 O ATOM 17038 O2P G B 849 -871.482 -37.305 50.997 1.00855.43 O ATOM 17039 O5* G B 849 -870.468 -38.637 49.142 1.00855.43 O ATOM 17040 C5* G B 849 -870.008 -38.854 47.812 1.00855.43 C ATOM 17041 C4* G B 849 -869.664 -40.313 47.590 1.00855.43 C ATOM 17042 O4* G B 849 -868.431 -40.660 48.269 1.00855.43 O ATOM 17043 C3* G B 849 -870.658 -41.356 48.086 1.00855.43 C ATOM 17044 O3* G B 849 -871.752 -41.534 47.192 1.00855.43 O ATOM 17045 C2* G B 849 -869.801 -42.615 48.187 1.00855.43 C ATOM 17046 O2* G B 849 -869.699 -43.304 46.959 1.00855.43 O ATOM 17047 C1* G B 849 -868.428 -42.046 48.562 1.00855.43 C ATOM 17048 N9 G B 849 -868.087 -42.232 49.969 1.00855.43 N ATOM 17049 C8 G B 849 -868.231 -41.324 50.991 1.00855.43 C ATOM 17050 N7 G B 849 -867.838 -41.789 52.147 1.00855.43 N ATOM 17051 C5 G B 849 -867.402 -43.078 51.871 1.00855.43 C ATOM 17052 C6 G B 849 -866.862 -44.070 52.730 1.00855.43 C ATOM 17053 O6 G B 849 -866.653 -44.005 53.950 1.00855.43 O ATOM 17054 N1 G B 849 -866.552 -45.233 52.037 1.00855.43 N ATOM 17055 C2 G B 849 -866.737 -45.423 50.687 1.00855.43 C ATOM 17056 N2 G B 849 -866.370 -46.620 50.203 1.00855.43 N ATOM 17057 N3 G B 849 -867.237 -44.508 49.878 1.00855.43 N ATOM 17058 C4 G B 849 -867.548 -43.367 50.532 1.00855.43 C ATOM 17059 P C B 850 -873.246 -41.661 47.772 1.00855.43 P ATOM 17060 O1P C B 850 -874.065 -42.331 46.732 1.00855.43 O ATOM 17061 O2P C B 850 -873.660 -40.332 48.289 1.00855.43 O ATOM 17062 O5* C B 850 -873.108 -42.657 49.010 1.00855.43 O ATOM 17063 C5* C B 850 -872.938 -44.058 48.806 1.00855.43 C ATOM 17064 C4* C B 850 -872.762 -44.767 50.129 1.00855.43 C ATOM 17065 O4* C B 850 -871.588 -44.229 50.793 1.00855.43 O ATOM 17066 C3* C B 850 -873.823 -44.515 51.184 1.00855.43 C ATOM 17067 O3* C B 850 -874.915 -45.405 50.974 1.00855.43 O ATOM 17068 C2* C B 850 -873.133 -44.797 52.513 1.00855.43 C ATOM 17069 O2* C B 850 -873.222 -46.156 52.888 1.00855.43 O ATOM 17070 C1* C B 850 -871.676 -44.462 52.184 1.00855.43 C ATOM 17071 N1 C B 850 -871.211 -43.253 52.884 1.00855.43 N ATOM 17072 C2 C B 850 -870.579 -43.392 54.122 1.00855.43 C ATOM 17073 O2 C B 850 -870.426 -44.530 54.587 1.00855.43 O ATOM 17074 N3 C B 850 -870.156 -42.289 54.777 1.00855.43 N ATOM 17075 C4 C B 850 -870.340 -41.083 54.241 1.00855.43 C ATOM 17076 N4 C B 850 -869.911 -40.019 54.923 1.00855.43 N ATOM 17077 C5 C B 850 -870.980 -40.911 52.977 1.00855.43 C ATOM 17078 C6 C B 850 -871.391 -42.012 52.338 1.00855.43 C ATOM 17079 P C B 851 -876.336 -44.826 50.484 1.00855.43 P ATOM 17080 O1P C B 851 -876.988 -45.892 49.681 1.00855.43 O ATOM 17081 O2P C B 851 -876.105 -43.489 49.874 1.00855.43 O ATOM 17082 O5* C B 851 -877.180 -44.627 51.821 1.00855.43 O ATOM 17083 C5* C B 851 -877.769 -45.744 52.487 1.00855.43 C ATOM 17084 C4* C B 851 -878.783 -45.278 53.513 1.00855.43 C ATOM 17085 O4* C B 851 -878.103 -44.576 54.588 1.00855.43 O ATOM 17086 C3* C B 851 -879.857 -44.304 53.066 1.00855.43 C ATOM 17087 O3* C B 851 -880.940 -44.993 52.448 1.00855.43 O ATOM 17088 C2* C B 851 -880.288 -43.645 54.372 1.00855.43 C ATOM 17089 O2* C B 851 -881.247 -44.410 55.075 1.00855.43 O ATOM 17090 C1* C B 851 -878.983 -43.623 55.165 1.00855.43 C ATOM 17091 N1 C B 851 -878.321 -42.307 55.142 1.00855.43 N ATOM 17092 C2 C B 851 -878.822 -41.283 55.960 1.00855.43 C ATOM 17093 O2 C B 851 -879.805 -41.514 56.682 1.00855.43 O ATOM 17094 N3 C B 851 -878.225 -40.070 55.945 1.00855.43 N ATOM 17095 C4 C B 851 -877.171 -39.859 55.153 1.00855.43 C ATOM 17096 N4 C B 851 -876.611 -38.648 55.168 1.00855.43 N ATOM 17097 C5 C B 851 -876.640 -40.881 54.313 1.00855.43 C ATOM 17098 C6 C B 851 -877.242 -42.079 54.338 1.00855.43 C ATOM 17099 P U B 852 -882.018 -44.168 51.584 1.00855.43 P ATOM 17100 O1P U B 852 -882.886 -45.158 50.895 1.00855.43 O ATOM 17101 O2P U B 852 -881.288 -43.152 50.784 1.00855.43 O ATOM 17102 O5* U B 852 -882.895 -43.403 52.674 1.00855.43 O ATOM 17103 C5* U B 852 -883.768 -44.115 53.546 1.00855.43 C ATOM 17104 C4* U B 852 -884.438 -43.158 54.507 1.00855.43 C ATOM 17105 O4* U B 852 -883.426 -42.577 55.371 1.00855.43 O ATOM 17106 C3* U B 852 -885.101 -41.957 53.866 1.00855.43 C ATOM 17107 O3* U B 852 -886.421 -42.246 53.422 1.00855.43 O ATOM 17108 C2* U B 852 -885.099 -40.928 54.993 1.00855.43 C ATOM 17109 O2* U B 852 -886.167 -41.111 55.902 1.00855.43 O ATOM 17110 C1* U B 852 -883.773 -41.238 55.684 1.00855.43 C ATOM 17111 N1 U B 852 -882.708 -40.358 55.182 1.00855.43 N ATOM 17112 C2 U B 852 -882.493 -39.156 55.838 1.00855.43 C ATOM 17113 O2 U B 852 -883.126 -38.815 56.826 1.00855.43 O ATOM 17114 N3 U B 852 -881.512 -38.366 55.294 1.00855.43 N ATOM 17115 C4 U B 852 -880.735 -38.659 54.179 1.00855.43 C ATOM 17116 O4 U B 852 -879.906 -37.840 53.781 1.00855.43 O ATOM 17117 C5 U B 852 -881.012 -39.929 53.572 1.00855.43 C ATOM 17118 C6 U B 852 -881.963 -40.714 54.084 1.00855.43 C ATOM 17119 P C B 853 -886.881 -41.764 51.959 1.00855.43 P ATOM 17120 O1P C B 853 -888.049 -42.589 51.560 1.00855.43 O ATOM 17121 O2P C B 853 -885.681 -41.723 51.085 1.00855.43 O ATOM 17122 O5* C B 853 -887.384 -40.269 52.188 1.00855.43 O ATOM 17123 C5* C B 853 -888.468 -39.995 53.068 1.00855.43 C ATOM 17124 C4* C B 853 -888.348 -38.598 53.638 1.00855.43 C ATOM 17125 O4* C B 853 -887.037 -38.414 54.233 1.00855.43 O ATOM 17126 C3* C B 853 -888.485 -37.480 52.631 1.00855.43 C ATOM 17127 O3* C B 853 -889.859 -37.175 52.455 1.00855.43 O ATOM 17128 C2* C B 853 -887.718 -36.338 53.285 1.00855.43 C ATOM 17129 O2* C B 853 -888.498 -35.624 54.226 1.00855.43 O ATOM 17130 C1* C B 853 -886.598 -37.085 54.008 1.00855.43 C ATOM 17131 N1 C B 853 -885.360 -37.122 53.215 1.00855.43 N ATOM 17132 C2 C B 853 -884.261 -36.385 53.663 1.00855.43 C ATOM 17133 O2 C B 853 -884.365 -35.737 54.709 1.00855.43 O ATOM 17134 N3 C B 853 -883.114 -36.404 52.944 1.00855.43 N ATOM 17135 C4 C B 853 -883.043 -37.116 51.820 1.00855.43 C ATOM 17136 N4 C B 853 -881.888 -37.102 51.146 1.00855.43 N ATOM 17137 C5 C B 853 -884.151 -37.876 51.337 1.00855.43 C ATOM 17138 C6 C B 853 -885.280 -37.851 52.059 1.00855.43 C ATOM 17139 P G B 854 -890.347 -36.520 51.072 1.00855.43 P ATOM 17140 O1P G B 854 -891.830 -36.565 51.054 1.00855.43 O ATOM 17141 O2P G B 854 -889.581 -37.149 49.967 1.00855.43 O ATOM 17142 O5* G B 854 -889.893 -34.993 51.185 1.00855.43 O ATOM 17143 C5* G B 854 -890.813 -33.999 51.617 1.00855.43 C ATOM 17144 C4* G B 854 -890.410 -32.635 51.106 1.00855.43 C ATOM 17145 O4* G B 854 -889.064 -32.311 51.549 1.00855.43 O ATOM 17146 C3* G B 854 -890.359 -32.560 49.592 1.00855.43 C ATOM 17147 O3* G B 854 -891.625 -32.247 49.026 1.00855.43 O ATOM 17148 C2* G B 854 -889.338 -31.458 49.342 1.00855.43 C ATOM 17149 O2* G B 854 -889.902 -30.166 49.432 1.00855.43 O ATOM 17150 C1* G B 854 -888.360 -31.676 50.497 1.00855.43 C ATOM 17151 N9 G B 854 -887.252 -32.531 50.085 1.00855.43 N ATOM 17152 C8 G B 854 -887.317 -33.819 49.609 1.00855.43 C ATOM 17153 N7 G B 854 -886.147 -34.303 49.281 1.00855.43 N ATOM 17154 C5 G B 854 -885.258 -33.275 49.572 1.00855.43 C ATOM 17155 C6 G B 854 -883.844 -33.207 49.419 1.00855.43 C ATOM 17156 O6 G B 854 -883.070 -34.069 48.981 1.00855.43 O ATOM 17157 N1 G B 854 -883.346 -31.980 49.840 1.00855.43 N ATOM 17158 C2 G B 854 -884.100 -30.950 50.339 1.00855.43 C ATOM 17159 N2 G B 854 -883.433 -29.844 50.696 1.00855.43 N ATOM 17160 N3 G B 854 -885.416 -30.997 50.479 1.00855.43 N ATOM 17161 C4 G B 854 -885.923 -32.182 50.078 1.00855.43 C ATOM 17162 P G B 855 -891.965 -32.730 47.531 1.00855.43 P ATOM 17163 O1P G B 855 -893.365 -32.329 47.235 1.00855.43 O ATOM 17164 O2P G B 855 -891.566 -34.155 47.408 1.00855.43 O ATOM 17165 O5* G B 855 -890.993 -31.865 46.607 1.00855.43 O ATOM 17166 C5* G B 855 -891.101 -30.448 46.559 1.00855.43 C ATOM 17167 C4* G B 855 -889.908 -29.849 45.848 1.00855.43 C ATOM 17168 O4* G B 855 -888.717 -30.072 46.646 1.00855.43 O ATOM 17169 C3* G B 855 -889.520 -30.405 44.486 1.00855.43 C ATOM 17170 O3* G B 855 -890.315 -29.888 43.426 1.00855.43 O ATOM 17171 C2* G B 855 -888.060 -29.987 44.361 1.00855.43 C ATOM 17172 O2* G B 855 -887.918 -28.647 43.928 1.00855.43 O ATOM 17173 C1* G B 855 -887.577 -30.118 45.804 1.00855.43 C ATOM 17174 N9 G B 855 -886.910 -31.398 46.017 1.00855.43 N ATOM 17175 C8 G B 855 -887.487 -32.578 46.417 1.00855.43 C ATOM 17176 N7 G B 855 -886.635 -33.566 46.484 1.00855.43 N ATOM 17177 C5 G B 855 -885.426 -33.003 46.111 1.00855.43 C ATOM 17178 C6 G B 855 -884.139 -33.587 45.989 1.00855.43 C ATOM 17179 O6 G B 855 -883.807 -34.760 46.191 1.00855.43 O ATOM 17180 N1 G B 855 -883.189 -32.653 45.590 1.00855.43 N ATOM 17181 C2 G B 855 -883.442 -31.328 45.336 1.00855.43 C ATOM 17182 N2 G B 855 -882.390 -30.588 44.958 1.00855.43 N ATOM 17183 N3 G B 855 -884.637 -30.773 45.438 1.00855.43 N ATOM 17184 C4 G B 855 -885.575 -31.662 45.830 1.00855.43 C ATOM 17185 P A B 856 -890.669 -30.826 42.168 1.00855.43 P ATOM 17186 O1P A B 856 -891.583 -30.061 41.282 1.00855.43 O ATOM 17187 O2P A B 856 -891.091 -32.153 42.686 1.00855.43 O ATOM 17188 O5* A B 856 -889.280 -31.015 41.409 1.00855.43 O ATOM 17189 C5* A B 856 -888.457 -29.891 41.089 1.00855.43 C ATOM 17190 C4* A B 856 -887.077 -30.357 40.684 1.00855.43 C ATOM 17191 O4* A B 856 -886.583 -31.280 41.690 1.00855.43 O ATOM 17192 C3* A B 856 -886.940 -31.214 39.434 1.00855.43 C ATOM 17193 O3* A B 856 -886.955 -30.396 38.270 1.00855.43 O ATOM 17194 C2* A B 856 -885.607 -31.925 39.618 1.00855.43 C ATOM 17195 O2* A B 856 -884.509 -31.147 39.184 1.00855.43 O ATOM 17196 C1* A B 856 -885.559 -32.090 41.138 1.00855.43 C ATOM 17197 N9 A B 856 -885.833 -33.474 41.516 1.00855.43 N ATOM 17198 C8 A B 856 -887.015 -34.158 41.381 1.00855.43 C ATOM 17199 N7 A B 856 -886.956 -35.403 41.781 1.00855.43 N ATOM 17200 C5 A B 856 -885.646 -35.548 42.218 1.00855.43 C ATOM 17201 C6 A B 856 -884.947 -36.642 42.758 1.00855.43 C ATOM 17202 N6 A B 856 -885.491 -37.843 42.953 1.00855.43 N ATOM 17203 N1 A B 856 -883.653 -36.453 43.094 1.00855.43 N ATOM 17204 C2 A B 856 -883.107 -35.246 42.895 1.00855.43 C ATOM 17205 N3 A B 856 -883.659 -34.146 42.392 1.00855.43 N ATOM 17206 C4 A B 856 -884.943 -34.366 42.069 1.00855.43 C ATOM 17207 P U B 857 -887.385 -31.036 36.858 1.00855.43 P ATOM 17208 O1P U B 857 -887.624 -29.912 35.915 1.00855.43 O ATOM 17209 O2P U B 857 -888.465 -32.026 37.105 1.00855.43 O ATOM 17210 O5* U B 857 -886.090 -31.825 36.366 1.00855.43 O ATOM 17211 C5* U B 857 -884.840 -31.160 36.210 1.00855.43 C ATOM 17212 C4* U B 857 -883.716 -32.164 36.094 1.00855.43 C ATOM 17213 O4* U B 857 -883.686 -32.989 37.288 1.00855.43 O ATOM 17214 C3* U B 857 -883.806 -33.163 34.959 1.00855.43 C ATOM 17215 O3* U B 857 -883.289 -32.624 33.748 1.00855.43 O ATOM 17216 C2* U B 857 -882.942 -34.316 35.461 1.00855.43 C ATOM 17217 O2* U B 857 -881.563 -34.113 35.223 1.00855.43 O ATOM 17218 C1* U B 857 -883.219 -34.287 36.963 1.00855.43 C ATOM 17219 N1 U B 857 -884.250 -35.261 37.348 1.00855.43 N ATOM 17220 C2 U B 857 -883.872 -36.587 37.454 1.00855.43 C ATOM 17221 O2 U B 857 -882.728 -36.969 37.268 1.00855.43 O ATOM 17222 N3 U B 857 -884.886 -37.450 37.790 1.00855.43 N ATOM 17223 C4 U B 857 -886.209 -37.129 38.027 1.00855.43 C ATOM 17224 O4 U B 857 -887.009 -38.024 38.298 1.00855.43 O ATOM 17225 C5 U B 857 -886.512 -35.736 37.907 1.00855.43 C ATOM 17226 C6 U B 857 -885.547 -34.874 37.580 1.00855.43 C ATOM 17227 P G B 858 -884.365 -33.400 30.142 1.00853.20 P ATOM 17228 O1P G B 858 -883.485 -34.597 30.127 1.00853.20 O ATOM 17229 O2P G B 858 -884.265 -32.404 29.047 1.00853.20 O ATOM 17230 O5* G B 858 -885.879 -33.905 30.223 1.00853.20 O ATOM 17231 C5* G B 858 -886.222 -35.246 29.885 1.00853.20 C ATOM 17232 C4* G B 858 -887.687 -35.345 29.516 1.00853.20 C ATOM 17233 O4* G B 858 -888.516 -34.995 30.654 1.00853.20 O ATOM 17234 C3* G B 858 -888.145 -34.417 28.418 1.00853.20 C ATOM 17235 O3* G B 858 -887.874 -35.007 27.149 1.00853.20 O ATOM 17236 C2* G B 858 -889.646 -34.297 28.673 1.00853.20 C ATOM 17237 O2* G B 858 -890.380 -35.363 28.104 1.00853.20 O ATOM 17238 C1* G B 858 -889.717 -34.396 30.200 1.00853.20 C ATOM 17239 N9 G B 858 -889.861 -33.090 30.832 1.00853.20 N ATOM 17240 C8 G B 858 -889.035 -31.999 30.698 1.00853.20 C ATOM 17241 N7 G B 858 -889.441 -30.960 31.382 1.00853.20 N ATOM 17242 C5 G B 858 -890.601 -31.394 32.007 1.00853.20 C ATOM 17243 C6 G B 858 -891.487 -30.708 32.878 1.00853.20 C ATOM 17244 O6 G B 858 -891.425 -29.539 33.280 1.00853.20 O ATOM 17245 N1 G B 858 -892.539 -31.525 33.285 1.00853.20 N ATOM 17246 C2 G B 858 -892.717 -32.832 32.905 1.00853.20 C ATOM 17247 N2 G B 858 -893.793 -33.454 33.409 1.00853.20 N ATOM 17248 N3 G B 858 -891.900 -33.480 32.092 1.00853.20 N ATOM 17249 C4 G B 858 -890.872 -32.705 31.684 1.00853.20 C ATOM 17250 P U B 859 -886.722 -34.389 26.212 1.00853.20 P ATOM 17251 O1P U B 859 -886.079 -33.285 26.968 1.00853.20 O ATOM 17252 O2P U B 859 -887.302 -34.119 24.871 1.00853.20 O ATOM 17253 O5* U B 859 -885.675 -35.584 26.082 1.00853.20 O ATOM 17254 C5* U B 859 -884.465 -35.558 26.829 1.00853.20 C ATOM 17255 C4* U B 859 -884.107 -36.955 27.286 1.00853.20 C ATOM 17256 O4* U B 859 -885.291 -37.569 27.849 1.00853.20 O ATOM 17257 C3* U B 859 -883.639 -37.968 26.256 1.00853.20 C ATOM 17258 O3* U B 859 -882.238 -37.770 26.084 1.00853.20 O ATOM 17259 C2* U B 859 -883.959 -39.307 26.915 1.00853.20 C ATOM 17260 O2* U B 859 -882.938 -39.749 27.789 1.00853.20 O ATOM 17261 C1* U B 859 -885.215 -38.977 27.725 1.00853.20 C ATOM 17262 N1 U B 859 -886.457 -39.452 27.099 1.00853.20 N ATOM 17263 C2 U B 859 -887.204 -40.392 27.780 1.00853.20 C ATOM 17264 O2 U B 859 -886.870 -40.839 28.868 1.00853.20 O ATOM 17265 N3 U B 859 -888.350 -40.798 27.142 1.00853.20 N ATOM 17266 C4 U B 859 -888.817 -40.365 25.920 1.00853.20 C ATOM 17267 O4 U B 859 -889.867 -40.829 25.473 1.00853.20 O ATOM 17268 C5 U B 859 -887.991 -39.388 25.278 1.00853.20 C ATOM 17269 C6 U B 859 -886.868 -38.976 25.873 1.00853.20 C ATOM 17270 P U B 860 -881.363 -38.847 25.263 1.00853.20 P ATOM 17271 O1P U B 860 -880.536 -38.085 24.296 1.00853.20 O ATOM 17272 O2P U B 860 -882.252 -39.930 24.773 1.00853.20 O ATOM 17273 O5* U B 860 -880.385 -39.460 26.363 1.00853.20 O ATOM 17274 C5* U B 860 -879.064 -38.945 26.538 1.00853.20 C ATOM 17275 C4* U B 860 -878.616 -39.110 27.974 1.00853.20 C ATOM 17276 O4* U B 860 -879.229 -38.084 28.792 1.00853.20 O ATOM 17277 C3* U B 860 -878.941 -40.401 28.741 1.00853.20 C ATOM 17278 O3* U B 860 -878.016 -41.449 28.457 1.00853.20 O ATOM 17279 C2* U B 860 -878.834 -39.973 30.202 1.00853.20 C ATOM 17280 O2* U B 860 -877.512 -40.062 30.695 1.00853.20 O ATOM 17281 C1* U B 860 -879.246 -38.497 30.146 1.00853.20 C ATOM 17282 N1 U B 860 -880.557 -38.147 30.717 1.00853.20 N ATOM 17283 C2 U B 860 -880.629 -37.754 32.047 1.00853.20 C ATOM 17284 O2 U B 860 -879.657 -37.690 32.779 1.00853.20 O ATOM 17285 N3 U B 860 -881.889 -37.435 32.486 1.00853.20 N ATOM 17286 C4 U B 860 -883.059 -37.462 31.752 1.00853.20 C ATOM 17287 O4 U B 860 -884.120 -37.134 32.286 1.00853.20 O ATOM 17288 C5 U B 860 -882.899 -37.876 30.395 1.00853.20 C ATOM 17289 C6 U B 860 -881.689 -38.201 29.937 1.00853.20 C ATOM 17290 P G B 861 -878.544 -42.955 28.266 1.00853.20 P ATOM 17291 O1P G B 861 -877.484 -43.701 27.535 1.00853.20 O ATOM 17292 O2P G B 861 -879.917 -42.902 27.711 1.00853.20 O ATOM 17293 O5* G B 861 -878.621 -43.536 29.746 1.00853.20 O ATOM 17294 C5* G B 861 -877.797 -43.026 30.790 1.00853.20 C ATOM 17295 C4* G B 861 -878.036 -43.811 32.058 1.00853.20 C ATOM 17296 O4* G B 861 -879.454 -43.772 32.361 1.00853.20 O ATOM 17297 C3* G B 861 -877.711 -45.291 31.994 1.00853.20 C ATOM 17298 O3* G B 861 -876.324 -45.498 32.241 1.00853.20 O ATOM 17299 C2* G B 861 -878.610 -45.882 33.074 1.00853.20 C ATOM 17300 O2* G B 861 -878.053 -45.775 34.370 1.00853.20 O ATOM 17301 C1* G B 861 -879.848 -44.987 32.973 1.00853.20 C ATOM 17302 N9 G B 861 -880.918 -45.551 32.158 1.00853.20 N ATOM 17303 C8 G B 861 -881.302 -45.136 30.904 1.00853.20 C ATOM 17304 N7 G B 861 -882.315 -45.811 30.430 1.00853.20 N ATOM 17305 C5 G B 861 -882.613 -46.729 31.425 1.00853.20 C ATOM 17306 C6 G B 861 -883.618 -47.731 31.478 1.00853.20 C ATOM 17307 O6 G B 861 -884.473 -48.006 30.628 1.00853.20 O ATOM 17308 N1 G B 861 -883.563 -48.444 32.666 1.00853.20 N ATOM 17309 C2 G B 861 -882.662 -48.226 33.679 1.00853.20 C ATOM 17310 N2 G B 861 -882.764 -49.029 34.743 1.00853.20 N ATOM 17311 N3 G B 861 -881.721 -47.295 33.643 1.00853.20 N ATOM 17312 C4 G B 861 -881.754 -46.588 32.496 1.00853.20 C ATOM 17313 P A B 862 -875.388 -46.081 31.069 1.00853.20 P ATOM 17314 O1P A B 862 -874.170 -45.236 31.012 1.00853.20 O ATOM 17315 O2P A B 862 -876.214 -46.266 29.850 1.00853.20 O ATOM 17316 O5* A B 862 -874.963 -47.519 31.605 1.00853.20 O ATOM 17317 C5* A B 862 -874.437 -47.676 32.919 1.00853.20 C ATOM 17318 C4* A B 862 -875.092 -48.847 33.601 1.00853.20 C ATOM 17319 O4* A B 862 -876.492 -48.551 33.852 1.00853.20 O ATOM 17320 C3* A B 862 -875.104 -50.123 32.784 1.00853.20 C ATOM 17321 O3* A B 862 -873.897 -50.860 32.936 1.00853.20 O ATOM 17322 C2* A B 862 -876.309 -50.871 33.335 1.00853.20 C ATOM 17323 O2* A B 862 -876.002 -51.557 34.523 1.00853.20 O ATOM 17324 C1* A B 862 -877.267 -49.720 33.651 1.00853.20 C ATOM 17325 N9 A B 862 -878.193 -49.482 32.546 1.00853.20 N ATOM 17326 C8 A B 862 -877.987 -48.721 31.422 1.00853.20 C ATOM 17327 N7 A B 862 -878.995 -48.736 30.583 1.00853.20 N ATOM 17328 C5 A B 862 -879.931 -49.553 31.204 1.00853.20 C ATOM 17329 C6 A B 862 -881.219 -49.972 30.829 1.00853.20 C ATOM 17330 N6 A B 862 -881.808 -49.617 29.684 1.00853.20 N ATOM 17331 N1 A B 862 -881.888 -50.783 31.677 1.00853.20 N ATOM 17332 C2 A B 862 -881.294 -51.141 32.821 1.00853.20 C ATOM 17333 N3 A B 862 -880.090 -50.815 33.285 1.00853.20 N ATOM 17334 C4 A B 862 -879.452 -50.010 32.416 1.00853.20 C ATOM 17335 P C B 863 -873.349 -51.744 31.715 1.00853.20 P ATOM 17336 O1P C B 863 -872.150 -52.479 32.197 1.00853.20 O ATOM 17337 O2P C B 863 -873.239 -50.869 30.520 1.00853.20 O ATOM 17338 O5* C B 863 -874.511 -52.805 31.456 1.00853.20 O ATOM 17339 C5* C B 863 -874.724 -53.873 32.366 1.00853.20 C ATOM 17340 C4* C B 863 -875.548 -54.969 31.727 1.00853.20 C ATOM 17341 O4* C B 863 -876.941 -54.580 31.646 1.00853.20 O ATOM 17342 C3* C B 863 -875.164 -55.325 30.300 1.00853.20 C ATOM 17343 O3* C B 863 -874.070 -56.229 30.222 1.00853.20 O ATOM 17344 C2* C B 863 -876.442 -55.966 29.770 1.00853.20 C ATOM 17345 O2* C B 863 -876.549 -57.329 30.133 1.00853.20 O ATOM 17346 C1* C B 863 -877.527 -55.169 30.497 1.00853.20 C ATOM 17347 N1 C B 863 -878.127 -54.123 29.659 1.00853.20 N ATOM 17348 C2 C B 863 -878.919 -54.522 28.579 1.00853.20 C ATOM 17349 O2 C B 863 -879.084 -55.737 28.377 1.00853.20 O ATOM 17350 N3 C B 863 -879.480 -53.583 27.785 1.00853.20 N ATOM 17351 C4 C B 863 -879.275 -52.289 28.036 1.00853.20 C ATOM 17352 N4 C B 863 -879.852 -51.397 27.224 1.00853.20 N ATOM 17353 C5 C B 863 -878.471 -51.852 29.131 1.00853.20 C ATOM 17354 C6 C B 863 -877.921 -52.795 29.911 1.00853.20 C ATOM 17355 P C B 864 -873.136 -56.236 28.913 1.00853.20 P ATOM 17356 O1P C B 864 -872.042 -57.210 29.160 1.00853.20 O ATOM 17357 O2P C B 864 -872.803 -54.831 28.571 1.00853.20 O ATOM 17358 O5* C B 864 -874.072 -56.822 27.765 1.00853.20 O ATOM 17359 C5* C B 864 -874.677 -58.098 27.915 1.00853.20 C ATOM 17360 C4* C B 864 -875.821 -58.273 26.939 1.00853.20 C ATOM 17361 O4* C B 864 -876.804 -57.223 27.144 1.00853.20 O ATOM 17362 C3* C B 864 -875.424 -58.168 25.481 1.00853.20 C ATOM 17363 O3* C B 864 -875.005 -59.433 24.992 1.00853.20 O ATOM 17364 C2* C B 864 -876.721 -57.716 24.816 1.00853.20 C ATOM 17365 O2* C B 864 -877.602 -58.789 24.561 1.00853.20 O ATOM 17366 C1* C B 864 -877.323 -56.812 25.889 1.00853.20 C ATOM 17367 N1 C B 864 -876.962 -55.404 25.672 1.00853.20 N ATOM 17368 C2 C B 864 -877.634 -54.680 24.684 1.00853.20 C ATOM 17369 O2 C B 864 -878.535 -55.242 24.037 1.00853.20 O ATOM 17370 N3 C B 864 -877.288 -53.393 24.455 1.00853.20 N ATOM 17371 C4 C B 864 -876.315 -52.829 25.173 1.00853.20 C ATOM 17372 N4 C B 864 -875.996 -51.561 24.908 1.00853.20 N ATOM 17373 C5 C B 864 -875.621 -53.542 26.196 1.00853.20 C ATOM 17374 C6 C B 864 -875.976 -54.812 26.410 1.00853.20 C ATOM 17375 P A B 865 -873.701 -59.521 24.056 1.00853.20 P ATOM 17376 O1P A B 865 -873.183 -60.912 24.148 1.00853.20 O ATOM 17377 O2P A B 865 -872.811 -58.381 24.395 1.00853.20 O ATOM 17378 O5* A B 865 -874.272 -59.298 22.586 1.00853.20 O ATOM 17379 C5* A B 865 -875.004 -60.329 21.933 1.00853.20 C ATOM 17380 C4* A B 865 -875.671 -59.806 20.681 1.00853.20 C ATOM 17381 O4* A B 865 -876.716 -58.851 21.009 1.00853.20 O ATOM 17382 C3* A B 865 -874.698 -59.052 19.800 1.00853.20 C ATOM 17383 O3* A B 865 -874.000 -59.925 18.922 1.00853.20 O ATOM 17384 C2* A B 865 -875.606 -58.091 19.046 1.00853.20 C ATOM 17385 O2* A B 865 -876.228 -58.691 17.928 1.00853.20 O ATOM 17386 C1* A B 865 -876.656 -57.757 20.105 1.00853.20 C ATOM 17387 N9 A B 865 -876.277 -56.553 20.841 1.00853.20 N ATOM 17388 C8 A B 865 -875.455 -56.432 21.931 1.00853.20 C ATOM 17389 N7 A B 865 -875.272 -55.195 22.324 1.00853.20 N ATOM 17390 C5 A B 865 -876.038 -54.449 21.435 1.00853.20 C ATOM 17391 C6 A B 865 -876.265 -53.066 21.311 1.00853.20 C ATOM 17392 N6 A B 865 -875.710 -52.151 22.105 1.00853.20 N ATOM 17393 N1 A B 865 -877.086 -52.653 20.321 1.00853.20 N ATOM 17394 C2 A B 865 -877.634 -53.572 19.516 1.00853.20 C ATOM 17395 N3 A B 865 -877.494 -54.896 19.530 1.00853.20 N ATOM 17396 C4 A B 865 -876.672 -55.272 20.525 1.00853.20 C ATOM 17397 P U B 866 -872.426 -59.701 18.691 1.00853.20 P ATOM 17398 O1P U B 866 -871.961 -60.715 17.714 1.00853.20 O ATOM 17399 O2P U B 866 -871.776 -59.615 20.024 1.00853.20 O ATOM 17400 O5* U B 866 -872.337 -58.264 18.011 1.00853.20 O ATOM 17401 C5* U B 866 -872.910 -58.025 16.730 1.00853.20 C ATOM 17402 C4* U B 866 -872.883 -56.549 16.412 1.00853.20 C ATOM 17403 O4* U B 866 -873.666 -55.828 17.397 1.00853.20 O ATOM 17404 C3* U B 866 -871.557 -55.810 16.483 1.00853.20 C ATOM 17405 O3* U B 866 -870.783 -56.037 15.316 1.00853.20 O ATOM 17406 C2* U B 866 -871.967 -54.349 16.626 1.00853.20 C ATOM 17407 O2* U B 866 -872.226 -53.733 15.381 1.00853.20 O ATOM 17408 C1* U B 866 -873.265 -54.468 17.425 1.00853.20 C ATOM 17409 N1 U B 866 -873.087 -54.073 18.831 1.00853.20 N ATOM 17410 C2 U B 866 -873.492 -52.804 19.202 1.00853.20 C ATOM 17411 O2 U B 866 -873.996 -52.015 18.424 1.00853.20 O ATOM 17412 N3 U B 866 -873.284 -52.496 20.524 1.00853.20 N ATOM 17413 C4 U B 866 -872.725 -53.311 21.489 1.00853.20 C ATOM 17414 O4 U B 866 -872.598 -52.886 22.639 1.00853.20 O ATOM 17415 C5 U B 866 -872.337 -54.605 21.024 1.00853.20 C ATOM 17416 C6 U B 866 -872.526 -54.934 19.742 1.00853.20 C ATOM 17417 P G B 867 -869.206 -55.717 15.338 1.00853.20 P ATOM 17418 O1P G B 867 -868.609 -56.342 14.129 1.00853.20 O ATOM 17419 O2P G B 867 -868.677 -56.066 16.682 1.00853.20 O ATOM 17420 O5* G B 867 -869.138 -54.135 15.164 1.00853.20 O ATOM 17421 C5* G B 867 -869.600 -53.517 13.970 1.00853.20 C ATOM 17422 C4* G B 867 -869.394 -52.021 14.034 1.00853.20 C ATOM 17423 O4* G B 867 -870.268 -51.432 15.030 1.00853.20 O ATOM 17424 C3* G B 867 -867.999 -51.621 14.454 1.00853.20 C ATOM 17425 O3* G B 867 -867.156 -51.598 13.308 1.00853.20 O ATOM 17426 C2* G B 867 -868.202 -50.235 15.048 1.00853.20 C ATOM 17427 O2* G B 867 -868.217 -49.218 14.069 1.00853.20 O ATOM 17428 C1* G B 867 -869.596 -50.362 15.673 1.00853.20 C ATOM 17429 N9 G B 867 -869.543 -50.639 17.106 1.00853.20 N ATOM 17430 C8 G B 867 -869.268 -51.835 17.719 1.00853.20 C ATOM 17431 N7 G B 867 -869.279 -51.756 19.022 1.00853.20 N ATOM 17432 C5 G B 867 -869.580 -50.426 19.282 1.00853.20 C ATOM 17433 C6 G B 867 -869.722 -49.738 20.516 1.00853.20 C ATOM 17434 O6 G B 867 -869.602 -50.182 21.665 1.00853.20 O ATOM 17435 N1 G B 867 -870.031 -48.394 20.317 1.00853.20 N ATOM 17436 C2 G B 867 -870.181 -47.793 19.094 1.00853.20 C ATOM 17437 N2 G B 867 -870.487 -46.487 19.104 1.00853.20 N ATOM 17438 N3 G B 867 -870.046 -48.421 17.938 1.00853.20 N ATOM 17439 C4 G B 867 -869.748 -49.723 18.109 1.00853.20 C ATOM 17440 P U B 868 -865.687 -52.245 13.395 1.00853.20 P ATOM 17441 O1P U B 868 -865.223 -52.472 12.000 1.00853.20 O ATOM 17442 O2P U B 868 -865.735 -53.382 14.345 1.00853.20 O ATOM 17443 O5* U B 868 -864.796 -51.092 14.036 1.00853.20 O ATOM 17444 C5* U B 868 -864.853 -49.763 13.524 1.00853.20 C ATOM 17445 C4* U B 868 -864.517 -48.758 14.602 1.00853.20 C ATOM 17446 O4* U B 868 -865.612 -48.683 15.553 1.00853.20 O ATOM 17447 C3* U B 868 -863.308 -49.100 15.454 1.00853.20 C ATOM 17448 O3* U B 868 -862.076 -48.701 14.861 1.00853.20 O ATOM 17449 C2* U B 868 -863.578 -48.327 16.740 1.00853.20 C ATOM 17450 O2* U B 868 -863.176 -46.976 16.642 1.00853.20 O ATOM 17451 C1* U B 868 -865.100 -48.409 16.847 1.00853.20 C ATOM 17452 N1 U B 868 -865.529 -49.481 17.760 1.00853.20 N ATOM 17453 C2 U B 868 -866.041 -49.106 18.989 1.00853.20 C ATOM 17454 O2 U B 868 -866.184 -47.940 19.323 1.00853.20 O ATOM 17455 N3 U B 868 -866.385 -50.146 19.810 1.00853.20 N ATOM 17456 C4 U B 868 -866.278 -51.494 19.540 1.00853.20 C ATOM 17457 O4 U B 868 -866.606 -52.310 20.399 1.00853.20 O ATOM 17458 C5 U B 868 -865.755 -51.798 18.242 1.00853.20 C ATOM 17459 C6 U B 868 -865.410 -50.807 17.418 1.00853.20 C ATOM 17460 P C B 869 -860.746 -49.565 15.131 1.00853.20 P ATOM 17461 O1P C B 869 -859.860 -49.417 13.948 1.00853.20 O ATOM 17462 O2P C B 869 -861.161 -50.921 15.574 1.00853.20 O ATOM 17463 O5* C B 869 -860.042 -48.845 16.365 1.00853.20 O ATOM 17464 C5* C B 869 -859.479 -47.543 16.241 1.00853.20 C ATOM 17465 C4* C B 869 -858.966 -47.084 17.581 1.00853.20 C ATOM 17466 O4* C B 869 -860.116 -46.783 18.403 1.00853.20 O ATOM 17467 C3* C B 869 -858.187 -48.155 18.382 1.00853.20 C ATOM 17468 O3* C B 869 -856.788 -48.201 18.123 1.00853.20 O ATOM 17469 C2* C B 869 -858.454 -47.753 19.827 1.00853.20 C ATOM 17470 O2* C B 869 -857.569 -46.757 20.300 1.00853.20 O ATOM 17471 C1* C B 869 -859.865 -47.181 19.731 1.00853.20 C ATOM 17472 N1 C B 869 -860.968 -48.036 20.193 1.00853.20 N ATOM 17473 C2 C B 869 -861.409 -47.900 21.510 1.00853.20 C ATOM 17474 O2 C B 869 -860.842 -47.083 22.250 1.00853.20 O ATOM 17475 N3 C B 869 -862.438 -48.659 21.944 1.00853.20 N ATOM 17476 C4 C B 869 -863.019 -49.528 21.118 1.00853.20 C ATOM 17477 N4 C B 869 -864.036 -50.249 21.590 1.00853.20 N ATOM 17478 C5 C B 869 -862.581 -49.695 19.771 1.00853.20 C ATOM 17479 C6 C B 869 -861.560 -48.938 19.357 1.00853.20 C ATOM 17480 P C B 870 -855.971 -49.557 18.392 1.00853.20 P ATOM 17481 O1P C B 870 -854.845 -49.578 17.425 1.00853.20 O ATOM 17482 O2P C B 870 -856.943 -50.678 18.410 1.00853.20 O ATOM 17483 O5* C B 870 -855.367 -49.380 19.855 1.00853.20 O ATOM 17484 C5* C B 870 -854.777 -48.143 20.251 1.00853.20 C ATOM 17485 C4* C B 870 -854.917 -47.935 21.747 1.00853.20 C ATOM 17486 O4* C B 870 -856.325 -47.895 22.098 1.00853.20 O ATOM 17487 C3* C B 870 -854.329 -49.045 22.609 1.00853.20 C ATOM 17488 O3* C B 870 -852.943 -48.835 22.868 1.00853.20 O ATOM 17489 C2* C B 870 -855.150 -48.939 23.889 1.00853.20 C ATOM 17490 O2* C B 870 -854.670 -47.937 24.761 1.00853.20 O ATOM 17491 C1* C B 870 -856.520 -48.518 23.356 1.00853.20 C ATOM 17492 N1 C B 870 -857.444 -49.652 23.186 1.00853.20 N ATOM 17493 C2 C B 870 -858.172 -50.097 24.292 1.00853.20 C ATOM 17494 O2 C B 870 -858.031 -49.519 25.380 1.00853.20 O ATOM 17495 N3 C B 870 -859.013 -51.149 24.150 1.00853.20 N ATOM 17496 C4 C B 870 -859.140 -51.746 22.963 1.00853.20 C ATOM 17497 N4 C B 870 -859.982 -52.779 22.868 1.00853.20 N ATOM 17498 C5 C B 870 -858.414 -51.304 21.814 1.00853.20 C ATOM 17499 C6 C B 870 -857.585 -50.266 21.972 1.00853.20 C ATOM 17500 P U B 871 -851.995 -50.096 23.194 1.00853.20 P ATOM 17501 O1P U B 871 -850.656 -49.804 22.625 1.00853.20 O ATOM 17502 O2P U B 871 -852.712 -51.333 22.783 1.00853.20 O ATOM 17503 O5* U B 871 -851.879 -50.097 24.785 1.00853.20 O ATOM 17504 C5* U B 871 -851.856 -48.875 25.517 1.00853.20 C ATOM 17505 C4* U B 871 -852.431 -49.078 26.906 1.00853.20 C ATOM 17506 O4* U B 871 -853.846 -49.383 26.813 1.00853.20 O ATOM 17507 C3* U B 871 -851.789 -50.249 27.632 1.00853.20 C ATOM 17508 O3* U B 871 -850.680 -49.780 28.400 1.00853.20 O ATOM 17509 C2* U B 871 -852.917 -50.769 28.525 1.00853.20 C ATOM 17510 O2* U B 871 -852.979 -50.078 29.756 1.00853.20 O ATOM 17511 C1* U B 871 -854.170 -50.437 27.705 1.00853.20 C ATOM 17512 N1 U B 871 -854.764 -51.538 26.922 1.00853.20 N ATOM 17513 C2 U B 871 -855.712 -52.383 27.525 1.00853.20 C ATOM 17514 O2 U B 871 -856.077 -52.291 28.685 1.00853.20 O ATOM 17515 N3 U B 871 -856.224 -53.355 26.701 1.00853.20 N ATOM 17516 C4 U B 871 -855.907 -53.570 25.375 1.00853.20 C ATOM 17517 O4 U B 871 -856.476 -54.474 24.762 1.00853.20 O ATOM 17518 C5 U B 871 -854.929 -52.676 24.837 1.00853.20 C ATOM 17519 C6 U B 871 -854.405 -51.718 25.607 1.00853.20 C ATOM 17520 P G B 872 -849.214 -50.381 28.142 1.00853.20 P ATOM 17521 O1P G B 872 -848.232 -49.301 28.437 1.00853.20 O ATOM 17522 O2P G B 872 -849.187 -51.047 26.817 1.00853.20 O ATOM 17523 O5* G B 872 -849.063 -51.494 29.269 1.00853.20 O ATOM 17524 C5* G B 872 -848.228 -52.626 29.071 1.00853.20 C ATOM 17525 C4* G B 872 -849.063 -53.800 28.620 1.00853.20 C ATOM 17526 O4* G B 872 -849.998 -53.382 27.599 1.00853.20 O ATOM 17527 C3* G B 872 -848.279 -54.974 28.023 1.00853.20 C ATOM 17528 O3* G B 872 -847.789 -55.885 28.998 1.00853.20 O ATOM 17529 C2* G B 872 -849.312 -55.622 27.106 1.00853.20 C ATOM 17530 O2* G B 872 -850.137 -56.540 27.779 1.00853.20 O ATOM 17531 C1* G B 872 -850.152 -54.422 26.657 1.00853.20 C ATOM 17532 N9 G B 872 -849.824 -53.920 25.331 1.00853.20 N ATOM 17533 C8 G B 872 -848.653 -53.338 24.915 1.00853.20 C ATOM 17534 N7 G B 872 -848.672 -52.985 23.657 1.00853.20 N ATOM 17535 C5 G B 872 -849.932 -53.365 23.218 1.00853.20 C ATOM 17536 C6 G B 872 -850.539 -53.243 21.940 1.00853.20 C ATOM 17537 O6 G B 872 -850.065 -52.757 20.903 1.00853.20 O ATOM 17538 N1 G B 872 -851.831 -53.760 21.935 1.00853.20 N ATOM 17539 C2 G B 872 -852.461 -54.319 23.015 1.00853.20 C ATOM 17540 N2 G B 872 -853.710 -54.760 22.812 1.00853.20 N ATOM 17541 N3 G B 872 -851.909 -54.438 24.210 1.00853.20 N ATOM 17542 C4 G B 872 -850.653 -53.941 24.237 1.00853.20 C ATOM 17543 P U B 873 -846.819 -57.084 28.561 1.00853.20 P ATOM 17544 O1P U B 873 -845.616 -56.486 27.928 1.00853.20 O ATOM 17545 O2P U B 873 -847.614 -58.097 27.823 1.00853.20 O ATOM 17546 O5* U B 873 -846.387 -57.711 29.958 1.00853.20 O ATOM 17547 C5* U B 873 -846.786 -59.021 30.340 1.00853.20 C ATOM 17548 C4* U B 873 -847.634 -58.941 31.582 1.00853.20 C ATOM 17549 O4* U B 873 -848.858 -58.211 31.289 1.00853.20 O ATOM 17550 C3* U B 873 -848.212 -60.250 32.087 1.00853.20 C ATOM 17551 O3* U B 873 -847.241 -60.911 32.889 1.00853.20 O ATOM 17552 C2* U B 873 -849.450 -59.873 32.888 1.00853.20 C ATOM 17553 O2* U B 873 -849.171 -59.694 34.266 1.00853.20 O ATOM 17554 C1* U B 873 -849.838 -58.532 32.260 1.00853.20 C ATOM 17555 N1 U B 873 -851.185 -58.560 31.658 1.00853.20 N ATOM 17556 C2 U B 873 -851.358 -58.835 30.295 1.00853.20 C ATOM 17557 O2 U B 873 -850.472 -59.151 29.549 1.00853.20 O ATOM 17558 N3 U B 873 -852.652 -58.748 29.845 1.00853.20 N ATOM 17559 C4 U B 873 -853.767 -58.444 30.599 1.00853.20 C ATOM 17560 O4 U B 873 -854.857 -58.312 30.040 1.00853.20 O ATOM 17561 C5 U B 873 -853.516 -58.226 31.985 1.00853.20 C ATOM 17562 C6 U B 873 -852.269 -58.289 32.454 1.00853.20 C ATOM 17563 P A B 874 -846.380 -62.109 32.252 1.00853.20 P ATOM 17564 O1P A B 874 -845.037 -62.086 32.889 1.00853.20 O ATOM 17565 O2P A B 874 -846.492 -62.035 30.773 1.00853.20 O ATOM 17566 O5* A B 874 -847.137 -63.424 32.743 1.00853.20 O ATOM 17567 C5* A B 874 -848.250 -63.334 33.630 1.00853.20 C ATOM 17568 C4* A B 874 -849.462 -63.994 33.026 1.00853.20 C ATOM 17569 O4* A B 874 -850.127 -63.100 32.091 1.00853.20 O ATOM 17570 C3* A B 874 -849.122 -65.229 32.215 1.00853.20 C ATOM 17571 O3* A B 874 -848.963 -66.407 32.993 1.00853.20 O ATOM 17572 C2* A B 874 -850.299 -65.329 31.245 1.00853.20 C ATOM 17573 O2* A B 874 -851.416 -65.978 31.818 1.00853.20 O ATOM 17574 C1* A B 874 -850.639 -63.856 31.004 1.00853.20 C ATOM 17575 N9 A B 874 -850.108 -63.316 29.749 1.00853.20 N ATOM 17576 C8 A B 874 -849.326 -62.206 29.546 1.00853.20 C ATOM 17577 N7 A B 874 -849.052 -61.975 28.282 1.00853.20 N ATOM 17578 C5 A B 874 -849.695 -63.006 27.609 1.00853.20 C ATOM 17579 C6 A B 874 -849.803 -63.323 26.238 1.00853.20 C ATOM 17580 N6 A B 874 -849.265 -62.598 25.254 1.00853.20 N ATOM 17581 N1 A B 874 -850.506 -64.428 25.908 1.00853.20 N ATOM 17582 C2 A B 874 -851.068 -65.148 26.883 1.00853.20 C ATOM 17583 N3 A B 874 -851.048 -64.947 28.198 1.00853.20 N ATOM 17584 C4 A B 874 -850.337 -63.845 28.498 1.00853.20 C ATOM 17585 P G B 875 -847.702 -67.366 32.728 1.00853.20 P ATOM 17586 O1P G B 875 -848.223 -68.739 32.509 1.00853.20 O ATOM 17587 O2P G B 875 -846.704 -67.123 33.801 1.00853.20 O ATOM 17588 O5* G B 875 -847.096 -66.836 31.353 1.00853.20 O ATOM 17589 C5* G B 875 -846.028 -67.521 30.713 1.00853.20 C ATOM 17590 C4* G B 875 -846.300 -67.661 29.235 1.00853.20 C ATOM 17591 O4* G B 875 -847.170 -66.587 28.794 1.00853.20 O ATOM 17592 C3* G B 875 -845.106 -67.603 28.293 1.00853.20 C ATOM 17593 O3* G B 875 -844.434 -68.851 28.173 1.00853.20 O ATOM 17594 C2* G B 875 -845.739 -67.162 26.979 1.00853.20 C ATOM 17595 O2* G B 875 -846.303 -68.239 26.258 1.00853.20 O ATOM 17596 C1* G B 875 -846.850 -66.226 27.461 1.00853.20 C ATOM 17597 N9 G B 875 -846.445 -64.827 27.450 1.00853.20 N ATOM 17598 C8 G B 875 -846.074 -64.063 28.531 1.00853.20 C ATOM 17599 N7 G B 875 -845.751 -62.841 28.209 1.00853.20 N ATOM 17600 C5 G B 875 -845.924 -62.790 26.832 1.00853.20 C ATOM 17601 C6 G B 875 -845.722 -61.723 25.917 1.00853.20 C ATOM 17602 O6 G B 875 -845.339 -60.571 26.147 1.00853.20 O ATOM 17603 N1 G B 875 -846.019 -62.103 24.614 1.00853.20 N ATOM 17604 C2 G B 875 -846.450 -63.350 24.232 1.00853.20 C ATOM 17605 N2 G B 875 -846.682 -63.513 22.921 1.00853.20 N ATOM 17606 N3 G B 875 -846.634 -64.355 25.073 1.00853.20 N ATOM 17607 C4 G B 875 -846.356 -64.005 26.349 1.00853.20 C ATOM 17608 P A B 876 -842.913 -68.889 27.651 1.00853.20 P ATOM 17609 O1P A B 876 -842.401 -70.269 27.840 1.00853.20 O ATOM 17610 O2P A B 876 -842.186 -67.748 28.262 1.00853.20 O ATOM 17611 O5* A B 876 -843.031 -68.612 26.088 1.00853.20 O ATOM 17612 C5* A B 876 -843.753 -69.496 25.228 1.00853.20 C ATOM 17613 C4* A B 876 -843.891 -68.876 23.860 1.00853.20 C ATOM 17614 O4* A B 876 -844.580 -67.605 23.983 1.00853.20 O ATOM 17615 C3* A B 876 -842.553 -68.554 23.193 1.00853.20 C ATOM 17616 O3* A B 876 -842.042 -69.667 22.467 1.00853.20 O ATOM 17617 C2* A B 876 -842.895 -67.354 22.310 1.00853.20 C ATOM 17618 O2* A B 876 -843.438 -67.732 21.065 1.00853.20 O ATOM 17619 C1* A B 876 -843.969 -66.642 23.142 1.00853.20 C ATOM 17620 N9 A B 876 -843.489 -65.567 24.007 1.00853.20 N ATOM 17621 C8 A B 876 -843.292 -65.649 25.363 1.00853.20 C ATOM 17622 N7 A B 876 -842.887 -64.527 25.909 1.00853.20 N ATOM 17623 C5 A B 876 -842.805 -63.646 24.842 1.00853.20 C ATOM 17624 C6 A B 876 -842.439 -62.293 24.764 1.00853.20 C ATOM 17625 N6 A B 876 -842.075 -61.559 25.822 1.00853.20 N ATOM 17626 N1 A B 876 -842.459 -61.706 23.548 1.00853.20 N ATOM 17627 C2 A B 876 -842.826 -62.441 22.486 1.00853.20 C ATOM 17628 N3 A B 876 -843.193 -63.722 22.434 1.00853.20 N ATOM 17629 C4 A B 876 -843.162 -64.274 23.657 1.00853.20 C ATOM 17630 P G B 877 -840.492 -70.068 22.593 1.00853.20 P ATOM 17631 O1P G B 877 -840.243 -71.160 21.618 1.00853.20 O ATOM 17632 O2P G B 877 -840.164 -70.274 24.024 1.00853.20 O ATOM 17633 O5* G B 877 -839.730 -68.769 22.082 1.00853.20 O ATOM 17634 C5* G B 877 -839.942 -68.283 20.762 1.00853.20 C ATOM 17635 C4* G B 877 -839.576 -66.823 20.682 1.00853.20 C ATOM 17636 O4* G B 877 -840.374 -66.060 21.623 1.00853.20 O ATOM 17637 C3* G B 877 -838.143 -66.489 21.023 1.00853.20 C ATOM 17638 O3* G B 877 -837.340 -66.661 19.861 1.00853.20 O ATOM 17639 C2* G B 877 -838.227 -65.035 21.468 1.00853.20 C ATOM 17640 O2* G B 877 -838.220 -64.137 20.378 1.00853.20 O ATOM 17641 C1* G B 877 -839.602 -64.987 22.134 1.00853.20 C ATOM 17642 N9 G B 877 -839.544 -65.095 23.588 1.00853.20 N ATOM 17643 C8 G B 877 -839.936 -66.157 24.371 1.00853.20 C ATOM 17644 N7 G B 877 -839.761 -65.944 25.646 1.00853.20 N ATOM 17645 C5 G B 877 -839.218 -64.668 25.713 1.00853.20 C ATOM 17646 C6 G B 877 -838.817 -63.885 26.835 1.00853.20 C ATOM 17647 O6 G B 877 -838.867 -64.172 28.034 1.00853.20 O ATOM 17648 N1 G B 877 -838.319 -62.648 26.443 1.00853.20 N ATOM 17649 C2 G B 877 -838.218 -62.212 25.143 1.00853.20 C ATOM 17650 N2 G B 877 -837.708 -60.987 24.969 1.00853.20 N ATOM 17651 N3 G B 877 -838.591 -62.925 24.095 1.00853.20 N ATOM 17652 C4 G B 877 -839.077 -64.132 24.451 1.00853.20 C ATOM 17653 P C B 878 -835.769 -66.966 20.016 1.00853.20 P ATOM 17654 O1P C B 878 -835.239 -67.290 18.666 1.00853.20 O ATOM 17655 O2P C B 878 -835.588 -67.932 21.126 1.00853.20 O ATOM 17656 O5* C B 878 -835.160 -65.563 20.462 1.00853.20 O ATOM 17657 C5* C B 878 -835.224 -64.437 19.594 1.00853.20 C ATOM 17658 C4* C B 878 -834.601 -63.230 20.252 1.00853.20 C ATOM 17659 O4* C B 878 -835.398 -62.832 21.391 1.00853.20 O ATOM 17660 C3* C B 878 -833.199 -63.381 20.823 1.00853.20 C ATOM 17661 O3* C B 878 -832.215 -63.217 19.806 1.00853.20 O ATOM 17662 C2* C B 878 -833.128 -62.276 21.872 1.00853.20 C ATOM 17663 O2* C B 878 -832.740 -61.031 21.324 1.00853.20 O ATOM 17664 C1* C B 878 -834.580 -62.184 22.348 1.00853.20 C ATOM 17665 N1 C B 878 -834.841 -62.790 23.662 1.00853.20 N ATOM 17666 C2 C B 878 -834.578 -62.037 24.811 1.00853.20 C ATOM 17667 O2 C B 878 -834.120 -60.891 24.684 1.00853.20 O ATOM 17668 N3 C B 878 -834.830 -62.577 26.025 1.00853.20 N ATOM 17669 C4 C B 878 -835.323 -63.815 26.116 1.00853.20 C ATOM 17670 N4 C B 878 -835.564 -64.303 27.337 1.00853.20 N ATOM 17671 C5 C B 878 -835.590 -64.606 24.962 1.00853.20 C ATOM 17672 C6 C B 878 -835.336 -64.062 23.766 1.00853.20 C ATOM 17673 P A B 879 -830.655 -63.329 20.174 1.00853.20 P ATOM 17674 O1P A B 879 -829.930 -63.498 18.891 1.00853.20 O ATOM 17675 O2P A B 879 -830.483 -64.335 21.252 1.00853.20 O ATOM 17676 O5* A B 879 -830.284 -61.890 20.750 1.00853.20 O ATOM 17677 C5* A B 879 -829.228 -61.134 20.176 1.00853.20 C ATOM 17678 C4* A B 879 -829.669 -59.709 19.942 1.00853.20 C ATOM 17679 O4* A B 879 -830.629 -59.671 18.853 1.00853.20 O ATOM 17680 C3* A B 879 -830.386 -59.050 21.095 1.00853.20 C ATOM 17681 O3* A B 879 -829.430 -58.479 21.980 1.00853.20 O ATOM 17682 C2* A B 879 -831.220 -57.970 20.411 1.00853.20 C ATOM 17683 O2* A B 879 -830.481 -56.792 20.170 1.00853.20 O ATOM 17684 C1* A B 879 -831.569 -58.636 19.079 1.00853.20 C ATOM 17685 N9 A B 879 -832.916 -59.207 19.085 1.00853.20 N ATOM 17686 C8 A B 879 -833.365 -60.373 18.515 1.00853.20 C ATOM 17687 N7 A B 879 -834.643 -60.597 18.712 1.00853.20 N ATOM 17688 C5 A B 879 -835.065 -59.507 19.460 1.00853.20 C ATOM 17689 C6 A B 879 -836.316 -59.145 19.991 1.00853.20 C ATOM 17690 N6 A B 879 -837.423 -59.873 19.846 1.00853.20 N ATOM 17691 N1 A B 879 -836.392 -57.988 20.690 1.00853.20 N ATOM 17692 C2 A B 879 -835.280 -57.254 20.836 1.00853.20 C ATOM 17693 N3 A B 879 -834.053 -57.489 20.386 1.00853.20 N ATOM 17694 C4 A B 879 -834.010 -58.642 19.697 1.00853.20 C ATOM 17695 P C B 880 -829.929 -57.619 23.245 1.00853.20 P ATOM 17696 O1P C B 880 -828.886 -57.713 24.296 1.00853.20 O ATOM 17697 O2P C B 880 -831.324 -58.024 23.556 1.00853.20 O ATOM 17698 O5* C B 880 -829.970 -56.117 22.715 1.00853.20 O ATOM 17699 C5* C B 880 -828.818 -55.495 22.150 1.00853.20 C ATOM 17700 C4* C B 880 -828.750 -54.049 22.589 1.00853.20 C ATOM 17701 O4* C B 880 -829.982 -53.402 22.181 1.00853.20 O ATOM 17702 C3* C B 880 -828.721 -53.907 24.112 1.00853.20 C ATOM 17703 O3* C B 880 -827.419 -53.926 24.691 1.00853.20 O ATOM 17704 C2* C B 880 -829.409 -52.565 24.336 1.00853.20 C ATOM 17705 O2* C B 880 -828.532 -51.469 24.168 1.00853.20 O ATOM 17706 C1* C B 880 -830.453 -52.559 23.219 1.00853.20 C ATOM 17707 N1 C B 880 -831.766 -53.066 23.653 1.00853.20 N ATOM 17708 C2 C B 880 -832.485 -52.354 24.619 1.00853.20 C ATOM 17709 O2 C B 880 -831.997 -51.313 25.082 1.00853.20 O ATOM 17710 N3 C B 880 -833.691 -52.816 25.023 1.00853.20 N ATOM 17711 C4 C B 880 -834.182 -53.943 24.499 1.00853.20 C ATOM 17712 N4 C B 880 -835.373 -54.366 24.928 1.00853.20 N ATOM 17713 C5 C B 880 -833.472 -54.686 23.510 1.00853.20 C ATOM 17714 C6 C B 880 -832.283 -54.214 23.118 1.00853.20 C ATOM 17715 P U B 881 -827.176 -54.687 26.088 1.00853.20 P ATOM 17716 O1P U B 881 -826.016 -54.035 26.743 1.00853.20 O ATOM 17717 O2P U B 881 -827.146 -56.150 25.828 1.00853.20 O ATOM 17718 O5* U B 881 -828.478 -54.356 26.944 1.00853.20 O ATOM 17719 C5* U B 881 -828.629 -53.092 27.582 1.00853.20 C ATOM 17720 C4* U B 881 -829.035 -53.279 29.028 1.00853.20 C ATOM 17721 O4* U B 881 -830.473 -53.464 29.105 1.00853.20 O ATOM 17722 C3* U B 881 -828.481 -54.511 29.693 1.00853.20 C ATOM 17723 O3* U B 881 -827.166 -54.271 30.180 1.00853.20 O ATOM 17724 C2* U B 881 -829.472 -54.779 30.819 1.00853.20 C ATOM 17725 O2* U B 881 -829.201 -54.012 31.975 1.00853.20 O ATOM 17726 C1* U B 881 -830.788 -54.318 30.190 1.00853.20 C ATOM 17727 N1 U B 881 -831.582 -55.442 29.675 1.00853.20 N ATOM 17728 C2 U B 881 -832.430 -56.087 30.550 1.00853.20 C ATOM 17729 O2 U B 881 -832.557 -55.755 31.718 1.00853.20 O ATOM 17730 N3 U B 881 -833.128 -57.139 30.009 1.00853.20 N ATOM 17731 C4 U B 881 -833.064 -57.596 28.711 1.00853.20 C ATOM 17732 O4 U B 881 -833.750 -58.567 28.375 1.00853.20 O ATOM 17733 C5 U B 881 -832.172 -56.873 27.864 1.00853.20 C ATOM 17734 C6 U B 881 -831.478 -55.844 28.362 1.00853.20 C ATOM 17735 P C B 882 -826.161 -55.509 30.381 1.00853.20 P ATOM 17736 O1P C B 882 -824.833 -54.953 30.751 1.00853.20 O ATOM 17737 O2P C B 882 -826.280 -56.400 29.199 1.00853.20 O ATOM 17738 O5* C B 882 -826.749 -56.275 31.647 1.00853.20 O ATOM 17739 C5* C B 882 -826.547 -55.773 32.965 1.00853.20 C ATOM 17740 C4* C B 882 -826.896 -56.822 33.991 1.00853.20 C ATOM 17741 O4* C B 882 -828.329 -57.053 34.011 1.00853.20 O ATOM 17742 C3* C B 882 -826.267 -58.177 33.668 1.00853.20 C ATOM 17743 O3* C B 882 -824.960 -58.311 34.205 1.00853.20 O ATOM 17744 C2* C B 882 -827.247 -59.160 34.292 1.00853.20 C ATOM 17745 O2* C B 882 -827.007 -59.353 35.672 1.00853.20 O ATOM 17746 C1* C B 882 -828.587 -58.446 34.103 1.00853.20 C ATOM 17747 N1 C B 882 -829.304 -58.865 32.890 1.00853.20 N ATOM 17748 C2 C B 882 -830.081 -60.033 32.924 1.00853.20 C ATOM 17749 O2 C B 882 -830.137 -60.689 33.974 1.00853.20 O ATOM 17750 N3 C B 882 -830.745 -60.415 31.809 1.00853.20 N ATOM 17751 C4 C B 882 -830.653 -59.686 30.694 1.00853.20 C ATOM 17752 N4 C B 882 -831.329 -60.097 29.623 1.00853.20 N ATOM 17753 C5 C B 882 -829.868 -58.499 30.633 1.00853.20 C ATOM 17754 C6 C B 882 -829.215 -58.129 31.740 1.00853.20 C ATOM 17755 P A B 883 -823.859 -59.172 33.411 1.00853.20 P ATOM 17756 O1P A B 883 -822.643 -58.335 33.268 1.00853.20 O ATOM 17757 O2P A B 883 -824.502 -59.744 32.200 1.00853.20 O ATOM 17758 O5* A B 883 -823.531 -60.366 34.410 1.00853.20 O ATOM 17759 C5* A B 883 -823.506 -61.706 33.946 1.00853.20 C ATOM 17760 C4* A B 883 -824.733 -62.452 34.412 1.00853.20 C ATOM 17761 O4* A B 883 -825.938 -61.704 34.104 1.00853.20 O ATOM 17762 C3* A B 883 -824.951 -63.842 33.807 1.00853.20 C ATOM 17763 O3* A B 883 -824.204 -64.837 34.489 1.00853.20 O ATOM 17764 C2* A B 883 -826.460 -64.033 33.914 1.00853.20 C ATOM 17765 O2* A B 883 -826.902 -64.627 35.109 1.00853.20 O ATOM 17766 C1* A B 883 -826.985 -62.599 33.778 1.00853.20 C ATOM 17767 N9 A B 883 -827.437 -62.306 32.422 1.00853.20 N ATOM 17768 C8 A B 883 -827.127 -61.227 31.635 1.00853.20 C ATOM 17769 N7 A B 883 -827.682 -61.266 30.449 1.00853.20 N ATOM 17770 C5 A B 883 -828.410 -62.447 30.458 1.00853.20 C ATOM 17771 C6 A B 883 -829.217 -63.071 29.491 1.00853.20 C ATOM 17772 N6 A B 883 -829.435 -62.570 28.273 1.00853.20 N ATOM 17773 N1 A B 883 -829.797 -64.243 29.822 1.00853.20 N ATOM 17774 C2 A B 883 -829.575 -64.746 31.043 1.00853.20 C ATOM 17775 N3 A B 883 -828.838 -64.260 32.034 1.00853.20 N ATOM 17776 C4 A B 883 -828.272 -63.093 31.670 1.00853.20 C ATOM 17777 P C B 884 -823.694 -66.129 33.691 1.00853.20 P ATOM 17778 O1P C B 884 -823.324 -67.167 34.689 1.00853.20 O ATOM 17779 O2P C B 884 -822.699 -65.689 32.684 1.00853.20 O ATOM 17780 O5* C B 884 -825.000 -66.613 32.925 1.00853.20 O ATOM 17781 C5* C B 884 -825.955 -67.448 33.570 1.00853.20 C ATOM 17782 C4* C B 884 -826.397 -68.537 32.631 1.00853.20 C ATOM 17783 O4* C B 884 -827.267 -67.990 31.611 1.00853.20 O ATOM 17784 C3* C B 884 -825.316 -69.260 31.854 1.00853.20 C ATOM 17785 O3* C B 884 -824.710 -70.265 32.647 1.00853.20 O ATOM 17786 C2* C B 884 -826.073 -69.812 30.655 1.00853.20 C ATOM 17787 O2* C B 884 -826.746 -71.022 30.946 1.00853.20 O ATOM 17788 C1* C B 884 -827.093 -68.702 30.398 1.00853.20 C ATOM 17789 N1 C B 884 -826.645 -67.745 29.376 1.00853.20 N ATOM 17790 C2 C B 884 -826.769 -68.084 28.025 1.00853.20 C ATOM 17791 O2 C B 884 -827.247 -69.188 27.725 1.00853.20 O ATOM 17792 N3 C B 884 -826.357 -67.204 27.080 1.00853.20 N ATOM 17793 C4 C B 884 -825.846 -66.026 27.447 1.00853.20 C ATOM 17794 N4 C B 884 -825.457 -65.188 26.484 1.00853.20 N ATOM 17795 C5 C B 884 -825.709 -65.658 28.816 1.00853.20 C ATOM 17796 C6 C B 884 -826.120 -66.537 29.736 1.00853.20 C ATOM 17797 P A B 885 -823.225 -70.758 32.299 1.00853.20 P ATOM 17798 O1P A B 885 -822.712 -71.468 33.498 1.00853.20 O ATOM 17799 O2P A B 885 -822.456 -69.618 31.736 1.00853.20 O ATOM 17800 O5* A B 885 -823.473 -71.829 31.150 1.00853.20 O ATOM 17801 C5* A B 885 -823.888 -73.132 31.503 1.00853.20 C ATOM 17802 C4* A B 885 -824.300 -73.924 30.293 1.00853.20 C ATOM 17803 O4* A B 885 -825.332 -73.241 29.539 1.00853.20 O ATOM 17804 C3* A B 885 -823.216 -74.237 29.290 1.00853.20 C ATOM 17805 O3* A B 885 -822.463 -75.357 29.737 1.00853.20 O ATOM 17806 C2* A B 885 -824.013 -74.531 28.022 1.00853.20 C ATOM 17807 O2* A B 885 -824.479 -75.862 27.970 1.00853.20 O ATOM 17808 C1* A B 885 -825.211 -73.583 28.174 1.00853.20 C ATOM 17809 N9 A B 885 -825.074 -72.356 27.391 1.00853.20 N ATOM 17810 C8 A B 885 -824.134 -71.361 27.512 1.00853.20 C ATOM 17811 N7 A B 885 -824.290 -70.383 26.654 1.00853.20 N ATOM 17812 C5 A B 885 -825.407 -70.760 25.917 1.00853.20 C ATOM 17813 C6 A B 885 -826.090 -70.151 24.850 1.00853.20 C ATOM 17814 N6 A B 885 -825.733 -68.981 24.313 1.00853.20 N ATOM 17815 N1 A B 885 -827.166 -70.789 24.346 1.00853.20 N ATOM 17816 C2 A B 885 -827.526 -71.962 24.889 1.00853.20 C ATOM 17817 N3 A B 885 -826.965 -72.636 25.890 1.00853.20 N ATOM 17818 C4 A B 885 -825.898 -71.971 26.366 1.00853.20 C ATOM 17819 P A B 886 -820.953 -75.545 29.228 1.00853.20 P ATOM 17820 O1P A B 886 -820.396 -76.745 29.904 1.00853.20 O ATOM 17821 O2P A B 886 -820.253 -74.239 29.357 1.00853.20 O ATOM 17822 O5* A B 886 -821.116 -75.875 27.682 1.00853.20 O ATOM 17823 C5* A B 886 -821.149 -77.226 27.236 1.00853.20 C ATOM 17824 C4* A B 886 -821.299 -77.279 25.735 1.00853.20 C ATOM 17825 O4* A B 886 -822.403 -76.432 25.316 1.00853.20 O ATOM 17826 C3* A B 886 -820.156 -76.798 24.883 1.00853.20 C ATOM 17827 O3* A B 886 -819.163 -77.812 24.803 1.00853.20 O ATOM 17828 C2* A B 886 -820.822 -76.522 23.545 1.00853.20 C ATOM 17829 O2* A B 886 -820.979 -77.691 22.763 1.00853.20 O ATOM 17830 C1* A B 886 -822.188 -75.998 23.982 1.00853.20 C ATOM 17831 N9 A B 886 -822.198 -74.536 23.958 1.00853.20 N ATOM 17832 C8 A B 886 -821.913 -73.664 24.982 1.00853.20 C ATOM 17833 N7 A B 886 -821.958 -72.403 24.626 1.00853.20 N ATOM 17834 C5 A B 886 -822.309 -72.449 23.282 1.00853.20 C ATOM 17835 C6 A B 886 -822.514 -71.439 22.319 1.00853.20 C ATOM 17836 N6 A B 886 -822.385 -70.135 22.573 1.00853.20 N ATOM 17837 N1 A B 886 -822.858 -71.824 21.072 1.00853.20 N ATOM 17838 C2 A B 886 -822.980 -73.131 20.817 1.00853.20 C ATOM 17839 N3 A B 886 -822.810 -74.170 21.631 1.00853.20 N ATOM 17840 C4 A B 886 -822.471 -73.754 22.864 1.00853.20 C ATOM 17841 P G B 887 -817.695 -77.432 24.269 1.00853.20 P ATOM 17842 O1P G B 887 -816.863 -78.665 24.330 1.00853.20 O ATOM 17843 O2P G B 887 -817.243 -76.208 24.977 1.00853.20 O ATOM 17844 O5* G B 887 -817.934 -77.071 22.738 1.00853.20 O ATOM 17845 C5* G B 887 -817.931 -78.095 21.753 1.00853.20 C ATOM 17846 C4* G B 887 -818.172 -77.529 20.373 1.00853.20 C ATOM 17847 O4* G B 887 -819.370 -76.709 20.355 1.00853.20 O ATOM 17848 C3* G B 887 -817.097 -76.631 19.816 1.00853.20 C ATOM 17849 O3* G B 887 -816.056 -77.411 19.255 1.00853.20 O ATOM 17850 C2* G B 887 -817.846 -75.846 18.746 1.00853.20 C ATOM 17851 O2* G B 887 -817.971 -76.559 17.534 1.00853.20 O ATOM 17852 C1* G B 887 -819.227 -75.684 19.381 1.00853.20 C ATOM 17853 N9 G B 887 -819.321 -74.377 20.025 1.00853.20 N ATOM 17854 C8 G B 887 -819.021 -74.035 21.321 1.00853.20 C ATOM 17855 N7 G B 887 -819.179 -72.761 21.562 1.00853.20 N ATOM 17856 C5 G B 887 -819.619 -72.234 20.354 1.00853.20 C ATOM 17857 C6 G B 887 -819.954 -70.900 19.991 1.00853.20 C ATOM 17858 O6 G B 887 -819.928 -69.879 20.690 1.00853.20 O ATOM 17859 N1 G B 887 -820.354 -70.815 18.661 1.00853.20 N ATOM 17860 C2 G B 887 -820.419 -71.874 17.789 1.00853.20 C ATOM 17861 N2 G B 887 -820.828 -71.596 16.544 1.00853.20 N ATOM 17862 N3 G B 887 -820.108 -73.115 18.112 1.00853.20 N ATOM 17863 C4 G B 887 -819.721 -73.221 19.400 1.00853.20 C ATOM 17864 P G B 888 -814.642 -76.718 18.931 1.00853.20 P ATOM 17865 O1P G B 888 -813.735 -77.768 18.402 1.00853.20 O ATOM 17866 O2P G B 888 -814.235 -75.931 20.127 1.00853.20 O ATOM 17867 O5* G B 888 -814.972 -75.696 17.756 1.00853.20 O ATOM 17868 C5* G B 888 -815.030 -76.144 16.406 1.00853.20 C ATOM 17869 C4* G B 888 -815.162 -74.975 15.459 1.00853.20 C ATOM 17870 O4* G B 888 -816.398 -74.261 15.713 1.00853.20 O ATOM 17871 C3* G B 888 -814.062 -73.921 15.523 1.00853.20 C ATOM 17872 O3* G B 888 -812.936 -74.278 14.724 1.00853.20 O ATOM 17873 C2* G B 888 -814.766 -72.678 14.983 1.00853.20 C ATOM 17874 O2* G B 888 -814.756 -72.619 13.571 1.00853.20 O ATOM 17875 C1* G B 888 -816.203 -72.881 15.469 1.00853.20 C ATOM 17876 N9 G B 888 -816.541 -72.137 16.678 1.00853.20 N ATOM 17877 C8 G B 888 -816.687 -72.634 17.952 1.00853.20 C ATOM 17878 N7 G B 888 -817.011 -71.713 18.823 1.00853.20 N ATOM 17879 C5 G B 888 -817.081 -70.541 18.080 1.00853.20 C ATOM 17880 C6 G B 888 -817.392 -69.212 18.476 1.00853.20 C ATOM 17881 O6 G B 888 -817.682 -68.788 19.602 1.00853.20 O ATOM 17882 N1 G B 888 -817.345 -68.336 17.399 1.00853.20 N ATOM 17883 C2 G B 888 -817.042 -68.684 16.108 1.00853.20 C ATOM 17884 N2 G B 888 -817.046 -67.694 15.206 1.00853.20 N ATOM 17885 N3 G B 888 -816.749 -69.917 15.724 1.00853.20 N ATOM 17886 C4 G B 888 -816.787 -70.789 16.753 1.00853.20 C ATOM 17887 P C B 889 -811.469 -73.761 15.130 1.00853.20 P ATOM 17888 O1P C B 889 -810.597 -73.947 13.944 1.00853.20 O ATOM 17889 O2P C B 889 -811.095 -74.381 16.427 1.00853.20 O ATOM 17890 O5* C B 889 -811.660 -72.195 15.359 1.00853.20 O ATOM 17891 C5* C B 889 -811.673 -71.292 14.258 1.00853.20 C ATOM 17892 C4* C B 889 -811.974 -69.890 14.730 1.00853.20 C ATOM 17893 O4* C B 889 -813.262 -69.878 15.390 1.00853.20 O ATOM 17894 C3* C B 889 -811.026 -69.262 15.752 1.00853.20 C ATOM 17895 O3* C B 889 -809.852 -68.696 15.183 1.00853.20 O ATOM 17896 C2* C B 889 -811.906 -68.205 16.402 1.00853.20 C ATOM 17897 O2* C B 889 -811.978 -67.012 15.648 1.00853.20 O ATOM 17898 C1* C B 889 -813.276 -68.888 16.400 1.00853.20 C ATOM 17899 N1 C B 889 -813.594 -69.540 17.679 1.00853.20 N ATOM 17900 C2 C B 889 -814.088 -68.762 18.729 1.00853.20 C ATOM 17901 O2 C B 889 -814.252 -67.545 18.547 1.00853.20 O ATOM 17902 N3 C B 889 -814.380 -69.351 19.911 1.00853.20 N ATOM 17903 C4 C B 889 -814.191 -70.666 20.063 1.00853.20 C ATOM 17904 N4 C B 889 -814.492 -71.205 21.248 1.00853.20 N ATOM 17905 C5 C B 889 -813.692 -71.483 19.010 1.00853.20 C ATOM 17906 C6 C B 889 -813.409 -70.884 17.845 1.00853.20 C ATOM 17907 P U B 890 -808.579 -68.394 16.118 1.00853.20 P ATOM 17908 O1P U B 890 -807.488 -67.918 15.229 1.00853.20 O ATOM 17909 O2P U B 890 -808.351 -69.568 16.994 1.00853.20 O ATOM 17910 O5* U B 890 -809.049 -67.169 17.023 1.00853.20 O ATOM 17911 C5* U B 890 -809.305 -65.895 16.440 1.00853.20 C ATOM 17912 C4* U B 890 -809.979 -64.977 17.438 1.00853.20 C ATOM 17913 O4* U B 890 -811.226 -65.574 17.879 1.00853.20 O ATOM 17914 C3* U B 890 -809.211 -64.713 18.715 1.00853.20 C ATOM 17915 O3* U B 890 -808.279 -63.646 18.539 1.00853.20 O ATOM 17916 C2* U B 890 -810.318 -64.329 19.692 1.00853.20 C ATOM 17917 O2* U B 890 -810.684 -62.967 19.596 1.00853.20 O ATOM 17918 C1* U B 890 -811.472 -65.215 19.229 1.00853.20 C ATOM 17919 N1 U B 890 -811.592 -66.442 20.032 1.00853.20 N ATOM 17920 C2 U B 890 -812.611 -66.502 20.963 1.00853.20 C ATOM 17921 O2 U B 890 -813.415 -65.597 21.124 1.00853.20 O ATOM 17922 N3 U B 890 -812.656 -67.658 21.702 1.00853.20 N ATOM 17923 C4 U B 890 -811.810 -68.739 21.602 1.00853.20 C ATOM 17924 O4 U B 890 -811.966 -69.705 22.354 1.00853.20 O ATOM 17925 C5 U B 890 -810.784 -68.608 20.608 1.00853.20 C ATOM 17926 C6 U B 890 -810.715 -67.491 19.876 1.00853.20 C ATOM 17927 P A B 891 -806.755 -63.830 19.033 1.00853.20 P ATOM 17928 O1P A B 891 -805.970 -62.707 18.459 1.00853.20 O ATOM 17929 O2P A B 891 -806.353 -65.230 18.739 1.00853.20 O ATOM 17930 O5* A B 891 -806.812 -63.646 20.622 1.00853.20 O ATOM 17931 C5* A B 891 -806.487 -62.394 21.240 1.00853.20 C ATOM 17932 C4* A B 891 -805.426 -62.594 22.308 1.00853.20 C ATOM 17933 O4* A B 891 -805.989 -63.486 23.302 1.00853.20 O ATOM 17934 C3* A B 891 -804.119 -63.233 21.821 1.00853.20 C ATOM 17935 O3* A B 891 -803.014 -62.698 22.570 1.00853.20 O ATOM 17936 C2* A B 891 -804.298 -64.710 22.162 1.00853.20 C ATOM 17937 O2* A B 891 -803.083 -65.323 22.543 1.00853.20 O ATOM 17938 C1* A B 891 -805.233 -64.679 23.369 1.00853.20 C ATOM 17939 N9 A B 891 -806.174 -65.803 23.351 1.00853.20 N ATOM 17940 C8 A B 891 -806.787 -66.343 22.252 1.00853.20 C ATOM 17941 N7 A B 891 -807.605 -67.327 22.532 1.00853.20 N ATOM 17942 C5 A B 891 -807.518 -67.450 23.909 1.00853.20 C ATOM 17943 C6 A B 891 -808.149 -68.312 24.821 1.00853.20 C ATOM 17944 N6 A B 891 -809.040 -69.238 24.469 1.00853.20 N ATOM 17945 N1 A B 891 -807.832 -68.182 26.127 1.00853.20 N ATOM 17946 C2 A B 891 -806.940 -67.248 26.480 1.00853.20 C ATOM 17947 N3 A B 891 -806.286 -66.378 25.717 1.00853.20 N ATOM 17948 C4 A B 891 -806.627 -66.528 24.426 1.00853.20 C ATOM 17949 P A B 892 -802.141 -59.772 17.443 1.00853.20 P ATOM 17950 O1P A B 892 -802.531 -59.626 16.013 1.00853.20 O ATOM 17951 O2P A B 892 -800.734 -60.096 17.779 1.00853.20 O ATOM 17952 O5* A B 892 -802.506 -58.383 18.147 1.00853.20 O ATOM 17953 C5* A B 892 -803.844 -57.893 18.128 1.00853.20 C ATOM 17954 C4* A B 892 -804.073 -56.831 19.193 1.00853.20 C ATOM 17955 O4* A B 892 -805.447 -56.380 19.041 1.00853.20 O ATOM 17956 C3* A B 892 -804.030 -57.278 20.614 1.00853.20 C ATOM 17957 O3* A B 892 -802.685 -57.312 21.090 1.00853.20 O ATOM 17958 C2* A B 892 -804.847 -56.188 21.297 1.00853.20 C ATOM 17959 O2* A B 892 -804.145 -54.967 21.437 1.00853.20 O ATOM 17960 C1* A B 892 -805.978 -56.000 20.293 1.00853.20 C ATOM 17961 N9 A B 892 -807.116 -56.881 20.555 1.00853.20 N ATOM 17962 C8 A B 892 -807.767 -57.635 19.619 1.00853.20 C ATOM 17963 N7 A B 892 -808.765 -58.326 20.098 1.00853.20 N ATOM 17964 C5 A B 892 -808.767 -58.020 21.450 1.00853.20 C ATOM 17965 C6 A B 892 -809.589 -58.433 22.511 1.00853.20 C ATOM 17966 N6 A B 892 -810.604 -59.284 22.382 1.00853.20 N ATOM 17967 N1 A B 892 -809.328 -57.934 23.733 1.00853.20 N ATOM 17968 C2 A B 892 -808.314 -57.077 23.871 1.00853.20 C ATOM 17969 N3 A B 892 -807.471 -56.612 22.951 1.00853.20 N ATOM 17970 C4 A B 892 -807.754 -57.128 21.745 1.00853.20 C ATOM 17971 P G B 893 -802.170 -58.571 21.952 1.00853.20 P ATOM 17972 O1P G B 893 -801.012 -58.108 22.761 1.00853.20 O ATOM 17973 O2P G B 893 -802.005 -59.721 21.032 1.00853.20 O ATOM 17974 O5* G B 893 -803.367 -58.900 22.956 1.00853.20 O ATOM 17975 C5* G B 893 -803.754 -57.971 23.965 1.00853.20 C ATOM 17976 C4* G B 893 -804.681 -58.624 24.967 1.00853.20 C ATOM 17977 O4* G B 893 -805.474 -59.654 24.318 1.00853.20 O ATOM 17978 C3* G B 893 -803.982 -59.313 26.134 1.00853.20 C ATOM 17979 O3* G B 893 -803.762 -58.398 27.200 1.00853.20 O ATOM 17980 C2* G B 893 -804.961 -60.416 26.518 1.00853.20 C ATOM 17981 O2* G B 893 -805.993 -59.963 27.374 1.00853.20 O ATOM 17982 C1* G B 893 -805.554 -60.796 25.160 1.00853.20 C ATOM 17983 N9 G B 893 -804.809 -61.892 24.547 1.00853.20 N ATOM 17984 C8 G B 893 -803.931 -61.822 23.494 1.00853.20 C ATOM 17985 N7 G B 893 -803.397 -62.978 23.196 1.00853.20 N ATOM 17986 C5 G B 893 -803.964 -63.861 24.106 1.00853.20 C ATOM 17987 C6 G B 893 -803.771 -65.259 24.274 1.00853.20 C ATOM 17988 O6 G B 893 -803.029 -66.019 23.640 1.00853.20 O ATOM 17989 N1 G B 893 -804.548 -65.761 25.314 1.00853.20 N ATOM 17990 C2 G B 893 -805.401 -65.016 26.093 1.00853.20 C ATOM 17991 N2 G B 893 -806.066 -65.680 27.047 1.00853.20 N ATOM 17992 N3 G B 893 -805.587 -63.714 25.946 1.00853.20 N ATOM 17993 C4 G B 893 -804.841 -63.206 24.941 1.00853.20 C ATOM 17994 P G B 894 -802.339 -58.378 27.940 1.00853.20 P ATOM 17995 O1P G B 894 -802.232 -57.104 28.694 1.00853.20 O ATOM 17996 O2P G B 894 -801.294 -58.735 26.945 1.00853.20 O ATOM 17997 O5* G B 894 -802.448 -59.573 28.987 1.00853.20 O ATOM 17998 C5* G B 894 -801.283 -60.113 29.600 1.00853.20 C ATOM 17999 C4* G B 894 -801.562 -61.506 30.101 1.00853.20 C ATOM 18000 O4* G B 894 -802.242 -62.268 29.070 1.00853.20 O ATOM 18001 C3* G B 894 -800.344 -62.331 30.422 1.00853.20 C ATOM 18002 O3* G B 894 -799.866 -62.013 31.722 1.00853.20 O ATOM 18003 C2* G B 894 -800.854 -63.761 30.287 1.00853.20 C ATOM 18004 O2* G B 894 -801.521 -64.217 31.445 1.00853.20 O ATOM 18005 C1* G B 894 -801.840 -63.626 29.128 1.00853.20 C ATOM 18006 N9 G B 894 -801.218 -63.960 27.853 1.00853.20 N ATOM 18007 C8 G B 894 -800.384 -63.161 27.108 1.00853.20 C ATOM 18008 N7 G B 894 -799.952 -63.742 26.022 1.00853.20 N ATOM 18009 C5 G B 894 -800.541 -64.999 26.049 1.00853.20 C ATOM 18010 C6 G B 894 -800.435 -66.082 25.136 1.00853.20 C ATOM 18011 O6 G B 894 -799.777 -66.147 24.091 1.00853.20 O ATOM 18012 N1 G B 894 -801.197 -67.168 25.546 1.00853.20 N ATOM 18013 C2 G B 894 -801.963 -67.215 26.685 1.00853.20 C ATOM 18014 N2 G B 894 -802.631 -68.357 26.903 1.00853.20 N ATOM 18015 N3 G B 894 -802.065 -66.214 27.547 1.00853.20 N ATOM 18016 C4 G B 894 -801.331 -65.148 27.168 1.00853.20 C ATOM 18017 P G B 895 -798.320 -61.613 31.921 1.00853.20 P ATOM 18018 O1P G B 895 -798.276 -60.185 32.308 1.00853.20 O ATOM 18019 O2P G B 895 -797.578 -62.067 30.716 1.00853.20 O ATOM 18020 O5* G B 895 -797.854 -62.514 33.151 1.00853.20 O ATOM 18021 C5* G B 895 -796.894 -63.539 32.943 1.00853.20 C ATOM 18022 C4* G B 895 -797.544 -64.893 32.796 1.00853.20 C ATOM 18023 O4* G B 895 -798.431 -64.814 31.651 1.00853.20 O ATOM 18024 C3* G B 895 -796.641 -66.049 32.484 1.00853.20 C ATOM 18025 O3* G B 895 -796.073 -66.573 33.683 1.00853.20 O ATOM 18026 C2* G B 895 -797.595 -67.010 31.796 1.00853.20 C ATOM 18027 O2* G B 895 -798.419 -67.706 32.708 1.00853.20 O ATOM 18028 C1* G B 895 -798.446 -66.048 30.968 1.00853.20 C ATOM 18029 N9 G B 895 -797.889 -65.808 29.643 1.00853.20 N ATOM 18030 C8 G B 895 -797.111 -64.739 29.257 1.00853.20 C ATOM 18031 N7 G B 895 -796.755 -64.789 28.003 1.00853.20 N ATOM 18032 C5 G B 895 -797.330 -65.959 27.531 1.00853.20 C ATOM 18033 C6 G B 895 -797.289 -66.543 26.243 1.00853.20 C ATOM 18034 O6 G B 895 -796.716 -66.133 25.228 1.00853.20 O ATOM 18035 N1 G B 895 -798.009 -67.733 26.198 1.00853.20 N ATOM 18036 C2 G B 895 -798.683 -68.288 27.257 1.00853.20 C ATOM 18037 N2 G B 895 -799.317 -69.442 27.013 1.00853.20 N ATOM 18038 N3 G B 895 -798.726 -67.755 28.464 1.00853.20 N ATOM 18039 C4 G B 895 -798.035 -66.602 28.530 1.00853.20 C ATOM 18040 P C B 896 -794.644 -67.303 33.639 1.00853.20 P ATOM 18041 O1P C B 896 -794.117 -67.319 35.027 1.00853.20 O ATOM 18042 O2P C B 896 -793.834 -66.687 32.556 1.00853.20 O ATOM 18043 O5* C B 896 -794.980 -68.804 33.223 1.00853.20 O ATOM 18044 C5* C B 896 -795.022 -69.842 34.198 1.00853.20 C ATOM 18045 C4* C B 896 -794.672 -71.167 33.563 1.00853.20 C ATOM 18046 O4* C B 896 -795.760 -71.582 32.693 1.00853.20 O ATOM 18047 C3* C B 896 -793.454 -71.254 32.660 1.00853.20 C ATOM 18048 O3* C B 896 -792.228 -71.358 33.368 1.00853.20 O ATOM 18049 C2* C B 896 -793.741 -72.503 31.830 1.00853.20 C ATOM 18050 O2* C B 896 -793.408 -73.696 32.508 1.00853.20 O ATOM 18051 C1* C B 896 -795.257 -72.407 31.656 1.00853.20 C ATOM 18052 N1 C B 896 -795.604 -71.790 30.367 1.00853.20 N ATOM 18053 C2 C B 896 -795.427 -72.533 29.197 1.00853.20 C ATOM 18054 O2 C B 896 -795.011 -73.697 29.280 1.00853.20 O ATOM 18055 N3 C B 896 -795.713 -71.962 28.004 1.00853.20 N ATOM 18056 C4 C B 896 -796.162 -70.707 27.955 1.00853.20 C ATOM 18057 N4 C B 896 -796.424 -70.178 26.757 1.00853.20 N ATOM 18058 C5 C B 896 -796.363 -69.931 29.135 1.00853.20 C ATOM 18059 C6 C B 896 -796.075 -70.507 30.309 1.00853.20 C ATOM 18060 P A B 897 -790.901 -70.708 32.734 1.00853.20 P ATOM 18061 O1P A B 897 -789.737 -71.313 33.428 1.00853.20 O ATOM 18062 O2P A B 897 -791.066 -69.233 32.719 1.00853.20 O ATOM 18063 O5* A B 897 -790.907 -71.226 31.230 1.00853.20 O ATOM 18064 C5* A B 897 -790.419 -72.519 30.906 1.00853.20 C ATOM 18065 C4* A B 897 -790.086 -72.612 29.437 1.00853.20 C ATOM 18066 O4* A B 897 -791.297 -72.533 28.642 1.00853.20 O ATOM 18067 C3* A B 897 -789.227 -71.532 28.816 1.00853.20 C ATOM 18068 O3* A B 897 -787.853 -71.717 29.150 1.00853.20 O ATOM 18069 C2* A B 897 -789.508 -71.684 27.323 1.00853.20 C ATOM 18070 O2* A B 897 -788.729 -72.697 26.715 1.00853.20 O ATOM 18071 C1* A B 897 -790.977 -72.107 27.328 1.00853.20 C ATOM 18072 N9 A B 897 -791.847 -70.988 26.967 1.00853.20 N ATOM 18073 C8 A B 897 -792.650 -70.234 27.787 1.00853.20 C ATOM 18074 N7 A B 897 -793.281 -69.267 27.164 1.00853.20 N ATOM 18075 C5 A B 897 -792.875 -69.399 25.843 1.00853.20 C ATOM 18076 C6 A B 897 -793.181 -68.672 24.679 1.00853.20 C ATOM 18077 N6 A B 897 -794.002 -67.620 24.658 1.00853.20 N ATOM 18078 N1 A B 897 -792.604 -69.066 23.524 1.00853.20 N ATOM 18079 C2 A B 897 -791.775 -70.119 23.546 1.00853.20 C ATOM 18080 N3 A B 897 -791.406 -70.878 24.573 1.00853.20 N ATOM 18081 C4 A B 897 -791.999 -70.461 25.706 1.00853.20 C ATOM 18082 P C B 898 -786.835 -70.472 29.034 1.00853.20 P ATOM 18083 O1P C B 898 -786.254 -70.216 30.379 1.00853.20 O ATOM 18084 O2P C B 898 -787.493 -69.359 28.301 1.00853.20 O ATOM 18085 O5* C B 898 -785.670 -71.040 28.110 1.00853.20 O ATOM 18086 C5* C B 898 -784.473 -71.533 28.698 1.00853.20 C ATOM 18087 C4* C B 898 -783.540 -72.050 27.636 1.00853.20 C ATOM 18088 O4* C B 898 -784.173 -73.129 26.897 1.00853.20 O ATOM 18089 C3* C B 898 -783.227 -71.081 26.535 1.00853.20 C ATOM 18090 O3* C B 898 -782.196 -70.226 27.002 1.00853.20 O ATOM 18091 C2* C B 898 -782.786 -71.949 25.365 1.00853.20 C ATOM 18092 O2* C B 898 -781.404 -72.236 25.396 1.00853.20 O ATOM 18093 C1* C B 898 -783.586 -73.229 25.607 1.00853.20 C ATOM 18094 N1 C B 898 -784.662 -73.378 24.614 1.00853.20 N ATOM 18095 C2 C B 898 -784.572 -74.413 23.679 1.00853.20 C ATOM 18096 O2 C B 898 -783.606 -75.192 23.739 1.00853.20 O ATOM 18097 N3 C B 898 -785.528 -74.538 22.734 1.00853.20 N ATOM 18098 C4 C B 898 -786.553 -73.681 22.707 1.00853.20 C ATOM 18099 N4 C B 898 -787.471 -73.838 21.751 1.00853.20 N ATOM 18100 C5 C B 898 -786.678 -72.628 23.656 1.00853.20 C ATOM 18101 C6 C B 898 -785.720 -72.516 24.585 1.00853.20 C ATOM 18102 P G B 899 -782.320 -68.643 26.760 1.00853.20 P ATOM 18103 O1P G B 899 -781.133 -67.996 27.378 1.00853.20 O ATOM 18104 O2P G B 899 -783.683 -68.217 27.164 1.00853.20 O ATOM 18105 O5* G B 899 -782.200 -68.503 25.178 1.00853.20 O ATOM 18106 C5* G B 899 -782.205 -67.217 24.571 1.00853.20 C ATOM 18107 C4* G B 899 -783.268 -67.137 23.505 1.00853.20 C ATOM 18108 O4* G B 899 -784.591 -67.292 24.090 1.00853.20 O ATOM 18109 C3* G B 899 -783.367 -65.844 22.737 1.00853.20 C ATOM 18110 O3* G B 899 -782.384 -65.829 21.711 1.00853.20 O ATOM 18111 C2* G B 899 -784.783 -65.891 22.176 1.00853.20 C ATOM 18112 O2* G B 899 -784.881 -66.677 21.008 1.00853.20 O ATOM 18113 C1* G B 899 -785.539 -66.582 23.310 1.00853.20 C ATOM 18114 N9 G B 899 -786.201 -65.596 24.160 1.00853.20 N ATOM 18115 C8 G B 899 -785.620 -64.761 25.084 1.00853.20 C ATOM 18116 N7 G B 899 -786.474 -63.956 25.658 1.00853.20 N ATOM 18117 C5 G B 899 -787.695 -64.284 25.078 1.00853.20 C ATOM 18118 C6 G B 899 -788.989 -63.745 25.292 1.00853.20 C ATOM 18119 O6 G B 899 -789.329 -62.836 26.062 1.00853.20 O ATOM 18120 N1 G B 899 -789.942 -64.374 24.499 1.00853.20 N ATOM 18121 C2 G B 899 -789.687 -65.388 23.610 1.00853.20 C ATOM 18122 N2 G B 899 -790.745 -65.868 22.937 1.00853.20 N ATOM 18123 N3 G B 899 -788.483 -65.894 23.394 1.00853.20 N ATOM 18124 C4 G B 899 -787.543 -65.298 24.160 1.00853.20 C ATOM 18125 P U B 900 -781.292 -64.651 21.689 1.00853.20 P ATOM 18126 O1P U B 900 -780.507 -64.792 20.436 1.00853.20 O ATOM 18127 O2P U B 900 -780.593 -64.635 22.996 1.00853.20 O ATOM 18128 O5* U B 900 -782.183 -63.331 21.581 1.00853.20 O ATOM 18129 C5* U B 900 -783.185 -63.226 20.579 1.00853.20 C ATOM 18130 C4* U B 900 -784.314 -62.340 21.044 1.00853.20 C ATOM 18131 O4* U B 900 -784.933 -62.858 22.251 1.00853.20 O ATOM 18132 C3* U B 900 -783.866 -60.950 21.406 1.00853.20 C ATOM 18133 O3* U B 900 -783.797 -60.151 20.244 1.00853.20 O ATOM 18134 C2* U B 900 -784.945 -60.482 22.370 1.00853.20 C ATOM 18135 O2* U B 900 -786.093 -59.991 21.710 1.00853.20 O ATOM 18136 C1* U B 900 -785.274 -61.778 23.108 1.00853.20 C ATOM 18137 N1 U B 900 -784.487 -61.871 24.345 1.00853.20 N ATOM 18138 C2 U B 900 -785.022 -61.281 25.477 1.00853.20 C ATOM 18139 O2 U B 900 -786.112 -60.737 25.483 1.00853.20 O ATOM 18140 N3 U B 900 -784.234 -61.354 26.599 1.00853.20 N ATOM 18141 C4 U B 900 -782.990 -61.940 26.701 1.00853.20 C ATOM 18142 O4 U B 900 -782.388 -61.895 27.775 1.00853.20 O ATOM 18143 C5 U B 900 -782.513 -62.543 25.492 1.00853.20 C ATOM 18144 C6 U B 900 -783.259 -62.487 24.383 1.00853.20 C ATOM 18145 P A B 900A -782.683 -59.004 20.175 1.00853.20 P ATOM 18146 O1P A B 900A -781.733 -59.356 19.105 1.00853.20 O ATOM 18147 O2P A B 900A -782.170 -58.809 21.548 1.00853.20 O ATOM 18148 O5* A B 900A -783.512 -57.702 19.776 1.00853.20 O ATOM 18149 C5* A B 900A -783.733 -56.667 20.724 1.00853.20 C ATOM 18150 C4* A B 900A -784.657 -55.616 20.164 1.00853.20 C ATOM 18151 O4* A B 900A -784.003 -54.865 19.103 1.00853.20 O ATOM 18152 C3* A B 900A -785.941 -56.103 19.534 1.00853.20 C ATOM 18153 O3* A B 900A -786.911 -56.389 20.529 1.00853.20 O ATOM 18154 C2* A B 900A -786.335 -54.938 18.636 1.00853.20 C ATOM 18155 O2* A B 900A -786.992 -53.909 19.347 1.00853.20 O ATOM 18156 C1* A B 900A -784.969 -54.439 18.157 1.00853.20 C ATOM 18157 N9 A B 900A -784.623 -54.990 16.850 1.00853.20 N ATOM 18158 C8 A B 900A -783.686 -55.945 16.548 1.00853.20 C ATOM 18159 N7 A B 900A -783.635 -56.254 15.275 1.00853.20 N ATOM 18160 C5 A B 900A -784.602 -55.447 14.695 1.00853.20 C ATOM 18161 C6 A B 900A -785.046 -55.303 13.368 1.00853.20 C ATOM 18162 N6 A B 900A -784.557 -56.001 12.341 1.00853.20 N ATOM 18163 N1 A B 900A -786.030 -54.405 13.130 1.00853.20 N ATOM 18164 C2 A B 900A -786.523 -53.707 14.159 1.00853.20 C ATOM 18165 N3 A B 900A -786.193 -53.757 15.447 1.00853.20 N ATOM 18166 C4 A B 900A -785.215 -54.658 15.652 1.00853.20 C ATOM 18167 P A B 901 -788.230 -57.209 20.124 1.00853.20 P ATOM 18168 O1P A B 901 -788.705 -57.922 21.337 1.00853.20 O ATOM 18169 O2P A B 901 -787.938 -57.977 18.888 1.00853.20 O ATOM 18170 O5* A B 901 -789.282 -56.067 19.771 1.00853.20 O ATOM 18171 C5* A B 901 -789.594 -55.055 20.720 1.00853.20 C ATOM 18172 C4* A B 901 -791.026 -54.603 20.558 1.00853.20 C ATOM 18173 O4* A B 901 -791.249 -54.136 19.199 1.00853.20 O ATOM 18174 C3* A B 901 -792.036 -55.706 20.768 1.00853.20 C ATOM 18175 O3* A B 901 -792.335 -55.811 22.153 1.00853.20 O ATOM 18176 C2* A B 901 -793.223 -55.247 19.935 1.00853.20 C ATOM 18177 O2* A B 901 -794.039 -54.316 20.619 1.00853.20 O ATOM 18178 C1* A B 901 -792.528 -54.557 18.761 1.00853.20 C ATOM 18179 N9 A B 901 -792.348 -55.475 17.634 1.00853.20 N ATOM 18180 C8 A B 901 -791.233 -56.210 17.315 1.00853.20 C ATOM 18181 N7 A B 901 -791.390 -56.965 16.254 1.00853.20 N ATOM 18182 C5 A B 901 -792.689 -56.706 15.846 1.00853.20 C ATOM 18183 C6 A B 901 -793.462 -57.197 14.782 1.00853.20 C ATOM 18184 N6 A B 901 -793.023 -58.093 13.899 1.00853.20 N ATOM 18185 N1 A B 901 -794.726 -56.734 14.657 1.00853.20 N ATOM 18186 C2 A B 901 -795.171 -55.838 15.547 1.00853.20 C ATOM 18187 N3 A B 901 -794.539 -55.302 16.587 1.00853.20 N ATOM 18188 C4 A B 901 -793.288 -55.784 16.684 1.00853.20 C ATOM 18189 P U B 902 -793.036 -57.149 22.708 1.00853.20 P ATOM 18190 O1P U B 902 -794.407 -57.205 22.139 1.00853.20 O ATOM 18191 O2P U B 902 -792.850 -57.195 24.182 1.00853.20 O ATOM 18192 O5* U B 902 -792.174 -58.323 22.059 1.00853.20 O ATOM 18193 C5* U B 902 -792.779 -59.251 21.171 1.00853.20 C ATOM 18194 C4* U B 902 -792.086 -59.231 19.826 1.00853.20 C ATOM 18195 O4* U B 902 -790.653 -59.389 20.008 1.00853.20 O ATOM 18196 C3* U B 902 -792.473 -60.347 18.900 1.00853.20 C ATOM 18197 O3* U B 902 -793.633 -59.957 18.178 1.00853.20 O ATOM 18198 C2* U B 902 -791.263 -60.480 17.981 1.00853.20 C ATOM 18199 O2* U B 902 -791.296 -59.564 16.906 1.00853.20 O ATOM 18200 C1* U B 902 -790.112 -60.122 18.923 1.00853.20 C ATOM 18201 N1 U B 902 -789.440 -61.320 19.445 1.00853.20 N ATOM 18202 C2 U B 902 -788.080 -61.433 19.222 1.00853.20 C ATOM 18203 O2 U B 902 -787.437 -60.581 18.633 1.00853.20 O ATOM 18204 N3 U B 902 -787.505 -62.579 19.714 1.00853.20 N ATOM 18205 C4 U B 902 -788.137 -63.600 20.394 1.00853.20 C ATOM 18206 O4 U B 902 -787.485 -64.578 20.756 1.00853.20 O ATOM 18207 C5 U B 902 -789.540 -63.404 20.589 1.00853.20 C ATOM 18208 C6 U B 902 -790.130 -62.299 20.121 1.00853.20 C ATOM 18209 P G B 903 -794.432 -61.055 17.318 1.00853.20 P ATOM 18210 O1P G B 903 -795.885 -60.788 17.474 1.00853.20 O ATOM 18211 O2P G B 903 -793.892 -62.398 17.661 1.00853.20 O ATOM 18212 O5* G B 903 -794.017 -60.715 15.820 1.00853.20 O ATOM 18213 C5* G B 903 -793.684 -61.748 14.903 1.00853.20 C ATOM 18214 C4* G B 903 -792.846 -61.189 13.776 1.00853.20 C ATOM 18215 O4* G B 903 -791.663 -60.547 14.318 1.00853.20 O ATOM 18216 C3* G B 903 -792.303 -62.195 12.795 1.00853.20 C ATOM 18217 O3* G B 903 -793.302 -62.524 11.845 1.00853.20 O ATOM 18218 C2* G B 903 -791.087 -61.491 12.209 1.00853.20 C ATOM 18219 O2* G B 903 -791.422 -60.593 11.167 1.00853.20 O ATOM 18220 C1* G B 903 -790.575 -60.712 13.422 1.00853.20 C ATOM 18221 N9 G B 903 -789.529 -61.430 14.143 1.00853.20 N ATOM 18222 C8 G B 903 -789.444 -62.790 14.314 1.00853.20 C ATOM 18223 N7 G B 903 -788.387 -63.159 14.986 1.00853.20 N ATOM 18224 C5 G B 903 -787.737 -61.969 15.281 1.00853.20 C ATOM 18225 C6 G B 903 -786.529 -61.734 15.986 1.00853.20 C ATOM 18226 O6 G B 903 -785.769 -62.560 16.507 1.00853.20 O ATOM 18227 N1 G B 903 -786.234 -60.379 16.057 1.00853.20 N ATOM 18228 C2 G B 903 -786.994 -59.374 15.515 1.00853.20 C ATOM 18229 N2 G B 903 -786.538 -58.125 15.687 1.00853.20 N ATOM 18230 N3 G B 903 -788.124 -59.577 14.850 1.00853.20 N ATOM 18231 C4 G B 903 -788.431 -60.890 14.773 1.00853.20 C ATOM 18232 P U B 904 -793.755 -64.052 11.677 1.00853.20 P ATOM 18233 O1P U B 904 -793.705 -64.386 10.231 1.00853.20 O ATOM 18234 O2P U B 904 -795.021 -64.244 12.436 1.00853.20 O ATOM 18235 O5* U B 904 -792.598 -64.857 12.418 1.00853.20 O ATOM 18236 C5* U B 904 -791.731 -65.705 11.681 1.00853.20 C ATOM 18237 C4* U B 904 -791.322 -66.891 12.518 1.00853.20 C ATOM 18238 O4* U B 904 -790.445 -66.469 13.592 1.00853.20 O ATOM 18239 C3* U B 904 -792.430 -67.649 13.218 1.00853.20 C ATOM 18240 O3* U B 904 -793.078 -68.557 12.340 1.00853.20 O ATOM 18241 C2* U B 904 -791.689 -68.349 14.349 1.00853.20 C ATOM 18242 O2* U B 904 -791.057 -69.541 13.929 1.00853.20 O ATOM 18243 C1* U B 904 -790.634 -67.308 14.717 1.00853.20 C ATOM 18244 N1 U B 904 -791.076 -66.481 15.850 1.00853.20 N ATOM 18245 C2 U B 904 -791.006 -67.033 17.114 1.00853.20 C ATOM 18246 O2 U B 904 -790.560 -68.149 17.324 1.00853.20 O ATOM 18247 N3 U B 904 -791.475 -66.232 18.124 1.00853.20 N ATOM 18248 C4 U B 904 -791.993 -64.957 18.001 1.00853.20 C ATOM 18249 O4 U B 904 -792.400 -64.372 19.007 1.00853.20 O ATOM 18250 C5 U B 904 -792.012 -64.450 16.666 1.00853.20 C ATOM 18251 C6 U B 904 -791.565 -65.206 15.660 1.00853.20 C ATOM 18252 P G B 905 -794.628 -68.910 12.580 1.00853.20 P ATOM 18253 O1P G B 905 -795.019 -69.938 11.581 1.00853.20 O ATOM 18254 O2P G B 905 -795.388 -67.636 12.660 1.00853.20 O ATOM 18255 O5* G B 905 -794.641 -69.586 14.023 1.00853.20 O ATOM 18256 C5* G B 905 -794.051 -70.864 14.228 1.00853.20 C ATOM 18257 C4* G B 905 -794.041 -71.208 15.694 1.00853.20 C ATOM 18258 O4* G B 905 -793.317 -70.198 16.440 1.00853.20 O ATOM 18259 C3* G B 905 -795.383 -71.300 16.394 1.00853.20 C ATOM 18260 O3* G B 905 -795.982 -72.567 16.155 1.00853.20 O ATOM 18261 C2* G B 905 -795.014 -71.087 17.855 1.00853.20 C ATOM 18262 O2* G B 905 -794.551 -72.270 18.476 1.00853.20 O ATOM 18263 C1* G B 905 -793.869 -70.080 17.740 1.00853.20 C ATOM 18264 N9 G B 905 -794.332 -68.710 17.922 1.00853.20 N ATOM 18265 C8 G B 905 -794.434 -67.733 16.963 1.00853.20 C ATOM 18266 N7 G B 905 -794.911 -66.608 17.426 1.00853.20 N ATOM 18267 C5 G B 905 -795.133 -66.858 18.773 1.00853.20 C ATOM 18268 C6 G B 905 -795.646 -66.015 19.793 1.00853.20 C ATOM 18269 O6 G B 905 -796.024 -64.842 19.707 1.00853.20 O ATOM 18270 N1 G B 905 -795.698 -66.672 21.018 1.00853.20 N ATOM 18271 C2 G B 905 -795.312 -67.968 21.237 1.00853.20 C ATOM 18272 N2 G B 905 -795.438 -68.419 22.494 1.00853.20 N ATOM 18273 N3 G B 905 -794.837 -68.767 20.295 1.00853.20 N ATOM 18274 C4 G B 905 -794.777 -68.149 19.097 1.00853.20 C ATOM 18275 P U B 906 -797.577 -72.719 16.268 1.00853.20 P ATOM 18276 O1P U B 906 -797.963 -73.972 15.576 1.00853.20 O ATOM 18277 O2P U B 906 -798.194 -71.430 15.856 1.00853.20 O ATOM 18278 O5* U B 906 -797.830 -72.911 17.831 1.00853.20 O ATOM 18279 C5* U B 906 -797.100 -73.882 18.574 1.00853.20 C ATOM 18280 C4* U B 906 -797.184 -73.579 20.051 1.00853.20 C ATOM 18281 O4* U B 906 -796.700 -72.233 20.294 1.00853.20 O ATOM 18282 C3* U B 906 -798.572 -73.580 20.653 1.00853.20 C ATOM 18283 O3* U B 906 -798.932 -74.909 21.005 1.00853.20 O ATOM 18284 C2* U B 906 -798.415 -72.690 21.878 1.00853.20 C ATOM 18285 O2* U B 906 -797.901 -73.385 22.993 1.00853.20 O ATOM 18286 C1* U B 906 -797.388 -71.667 21.393 1.00853.20 C ATOM 18287 N1 U B 906 -798.006 -70.409 20.947 1.00853.20 N ATOM 18288 C2 U B 906 -798.349 -69.486 21.914 1.00853.20 C ATOM 18289 O2 U B 906 -798.161 -69.669 23.103 1.00853.20 O ATOM 18290 N3 U B 906 -798.928 -68.339 21.435 1.00853.20 N ATOM 18291 C4 U B 906 -799.190 -68.025 20.115 1.00853.20 C ATOM 18292 O4 U B 906 -799.718 -66.945 19.840 1.00853.20 O ATOM 18293 C5 U B 906 -798.799 -69.034 19.175 1.00853.20 C ATOM 18294 C6 U B 906 -798.236 -70.162 19.614 1.00853.20 C ATOM 18295 P U B 907 -800.394 -75.463 20.627 1.00853.20 P ATOM 18296 O1P U B 907 -800.273 -76.935 20.459 1.00853.20 O ATOM 18297 O2P U B 907 -800.939 -74.641 19.517 1.00853.20 O ATOM 18298 O5* U B 907 -801.258 -75.185 21.936 1.00853.20 O ATOM 18299 C5* U B 907 -800.947 -75.841 23.161 1.00853.20 C ATOM 18300 C4* U B 907 -801.201 -74.923 24.334 1.00853.20 C ATOM 18301 O4* U B 907 -800.443 -73.697 24.177 1.00853.20 O ATOM 18302 C3* U B 907 -802.626 -74.460 24.517 1.00853.20 C ATOM 18303 O3* U B 907 -803.350 -75.443 25.249 1.00853.20 O ATOM 18304 C2* U B 907 -802.469 -73.173 25.314 1.00853.20 C ATOM 18305 O2* U B 907 -802.335 -73.408 26.701 1.00853.20 O ATOM 18306 C1* U B 907 -801.158 -72.619 24.759 1.00853.20 C ATOM 18307 N1 U B 907 -801.395 -71.598 23.729 1.00853.20 N ATOM 18308 C2 U B 907 -801.338 -70.275 24.118 1.00853.20 C ATOM 18309 O2 U B 907 -801.080 -69.930 25.259 1.00853.20 O ATOM 18310 N3 U B 907 -801.600 -69.365 23.121 1.00853.20 N ATOM 18311 C4 U B 907 -801.899 -69.643 21.804 1.00853.20 C ATOM 18312 O4 U B 907 -802.131 -68.714 21.027 1.00853.20 O ATOM 18313 C5 U B 907 -801.924 -71.035 21.477 1.00853.20 C ATOM 18314 C6 U B 907 -801.674 -71.943 22.429 1.00853.20 C ATOM 18315 P C B 909 -804.917 -75.655 24.949 1.00853.20 P ATOM 18316 O1P C B 909 -805.310 -76.957 25.543 1.00853.20 O ATOM 18317 O2P C B 909 -805.158 -75.402 23.508 1.00853.20 O ATOM 18318 O5* C B 909 -805.626 -74.497 25.784 1.00853.20 O ATOM 18319 C5* C B 909 -806.078 -74.728 27.111 1.00853.20 C ATOM 18320 C4* C B 909 -806.734 -73.487 27.671 1.00853.20 C ATOM 18321 O4* C B 909 -805.753 -72.422 27.779 1.00853.20 O ATOM 18322 C3* C B 909 -807.870 -72.855 26.895 1.00853.20 C ATOM 18323 O3* C B 909 -809.107 -73.511 27.130 1.00853.20 O ATOM 18324 C2* C B 909 -807.886 -71.430 27.436 1.00853.20 C ATOM 18325 O2* C B 909 -808.582 -71.329 28.663 1.00853.20 O ATOM 18326 C1* C B 909 -806.398 -71.167 27.664 1.00853.20 C ATOM 18327 N1 C B 909 -805.809 -70.441 26.529 1.00853.20 N ATOM 18328 C2 C B 909 -805.796 -69.045 26.561 1.00853.20 C ATOM 18329 O2 C B 909 -806.270 -68.464 27.550 1.00853.20 O ATOM 18330 N3 C B 909 -805.278 -68.363 25.513 1.00853.20 N ATOM 18331 C4 C B 909 -804.781 -69.029 24.466 1.00853.20 C ATOM 18332 N4 C B 909 -804.285 -68.316 23.451 1.00853.20 N ATOM 18333 C5 C B 909 -804.772 -70.453 24.413 1.00853.20 C ATOM 18334 C6 C B 909 -805.292 -71.111 25.458 1.00853.20 C ATOM 18335 P U B 910 -810.424 -73.016 26.352 1.00853.20 P ATOM 18336 O1P U B 910 -811.344 -74.176 26.271 1.00853.20 O ATOM 18337 O2P U B 910 -809.994 -72.329 25.112 1.00853.20 O ATOM 18338 O5* U B 910 -811.077 -71.924 27.319 1.00853.20 O ATOM 18339 C5* U B 910 -811.191 -70.570 26.898 1.00853.20 C ATOM 18340 C4* U B 910 -812.309 -69.860 27.638 1.00853.20 C ATOM 18341 O4* U B 910 -811.978 -69.845 29.062 1.00853.20 O ATOM 18342 C3* U B 910 -812.438 -68.412 27.311 1.00853.20 C ATOM 18343 O3* U B 910 -813.264 -68.223 26.147 1.00853.20 O ATOM 18344 C2* U B 910 -813.128 -67.867 28.549 1.00853.20 C ATOM 18345 O2* U B 910 -814.508 -68.174 28.587 1.00853.20 O ATOM 18346 C1* U B 910 -812.384 -68.612 29.644 1.00853.20 C ATOM 18347 N1 U B 910 -811.199 -67.771 29.862 1.00853.20 N ATOM 18348 C2 U B 910 -811.400 -66.577 30.540 1.00853.20 C ATOM 18349 O2 U B 910 -812.477 -66.263 31.023 1.00853.20 O ATOM 18350 N3 U B 910 -810.298 -65.771 30.629 1.00853.20 N ATOM 18351 C4 U B 910 -809.038 -66.030 30.133 1.00853.20 C ATOM 18352 O4 U B 910 -808.162 -65.170 30.244 1.00853.20 O ATOM 18353 C5 U B 910 -808.902 -67.296 29.483 1.00853.20 C ATOM 18354 C6 U B 910 -809.959 -68.109 29.377 1.00853.20 C ATOM 18355 P A B 911 -813.031 -68.729 29.087 1.00853.20 P ATOM 18356 O1P A B 911 -811.606 -68.407 29.378 1.00853.20 O ATOM 18357 O2P A B 911 -813.378 -69.352 27.780 1.00853.20 O ATOM 18358 O5* A B 911 -813.807 -67.335 29.136 1.00853.20 O ATOM 18359 C5* A B 911 -813.700 -66.489 30.271 1.00853.20 C ATOM 18360 C4* A B 911 -813.172 -65.119 29.906 1.00853.20 C ATOM 18361 O4* A B 911 -811.792 -65.176 29.456 1.00853.20 O ATOM 18362 C3* A B 911 -813.947 -64.449 28.785 1.00853.20 C ATOM 18363 O3* A B 911 -815.084 -63.766 29.289 1.00853.20 O ATOM 18364 C2* A B 911 -812.914 -63.493 28.192 1.00853.20 C ATOM 18365 O2* A B 911 -812.815 -62.296 28.935 1.00853.20 O ATOM 18366 C1* A B 911 -811.619 -64.289 28.361 1.00853.20 C ATOM 18367 N9 A B 911 -811.277 -65.065 27.171 1.00853.20 N ATOM 18368 C8 A B 911 -811.044 -66.417 27.076 1.00853.20 C ATOM 18369 N7 A B 911 -810.750 -66.817 25.861 1.00853.20 N ATOM 18370 C5 A B 911 -810.793 -65.650 25.109 1.00853.20 C ATOM 18371 C6 A B 911 -810.571 -65.397 23.743 1.00853.20 C ATOM 18372 N6 A B 911 -810.240 -66.338 22.856 1.00853.20 N ATOM 18373 N1 A B 911 -810.697 -64.124 23.310 1.00853.20 N ATOM 18374 C2 A B 911 -811.027 -63.178 24.200 1.00853.20 C ATOM 18375 N3 A B 911 -811.251 -63.291 25.507 1.00853.20 N ATOM 18376 C4 A B 911 -811.119 -64.568 25.901 1.00853.20 C ATOM 18377 P A B 912 -816.376 -63.590 28.356 1.00853.20 P ATOM 18378 O1P A B 912 -817.536 -63.379 29.259 1.00853.20 O ATOM 18379 O2P A B 912 -816.403 -64.710 27.378 1.00853.20 O ATOM 18380 O5* A B 912 -816.096 -62.231 27.572 1.00853.20 O ATOM 18381 C5* A B 912 -815.903 -61.019 28.289 1.00853.20 C ATOM 18382 C4* A B 912 -815.632 -59.872 27.341 1.00853.20 C ATOM 18383 O4* A B 912 -814.388 -60.084 26.628 1.00853.20 O ATOM 18384 C3* A B 912 -816.687 -59.648 26.253 1.00853.20 C ATOM 18385 O3* A B 912 -817.807 -58.877 26.682 1.00853.20 O ATOM 18386 C2* A B 912 -815.886 -58.912 25.185 1.00853.20 C ATOM 18387 O2* A B 912 -815.779 -57.528 25.450 1.00853.20 O ATOM 18388 C1* A B 912 -814.504 -59.557 25.319 1.00853.20 C ATOM 18389 N9 A B 912 -814.269 -60.619 24.343 1.00853.20 N ATOM 18390 C8 A B 912 -814.383 -61.982 24.494 1.00853.20 C ATOM 18391 N7 A B 912 -814.102 -62.657 23.405 1.00853.20 N ATOM 18392 C5 A B 912 -813.785 -61.677 22.474 1.00853.20 C ATOM 18393 C6 A B 912 -813.402 -61.736 21.124 1.00853.20 C ATOM 18394 N6 A B 912 -813.263 -62.874 20.441 1.00853.20 N ATOM 18395 N1 A B 912 -813.160 -60.571 20.485 1.00853.20 N ATOM 18396 C2 A B 912 -813.298 -59.425 21.165 1.00853.20 C ATOM 18397 N3 A B 912 -813.653 -59.240 22.436 1.00853.20 N ATOM 18398 C4 A B 912 -813.885 -60.418 23.042 1.00853.20 C ATOM 18399 P A B 913 -819.298 -59.418 26.408 1.00853.20 P ATOM 18400 O1P A B 913 -820.228 -58.283 26.640 1.00853.20 O ATOM 18401 O2P A B 913 -819.482 -60.681 27.164 1.00853.20 O ATOM 18402 O5* A B 913 -819.317 -59.764 24.850 1.00853.20 O ATOM 18403 C5* A B 913 -818.943 -58.792 23.874 1.00853.20 C ATOM 18404 C4* A B 913 -818.291 -59.469 22.692 1.00853.20 C ATOM 18405 O4* A B 913 -817.373 -60.478 23.181 1.00853.20 O ATOM 18406 C3* A B 913 -819.232 -60.226 21.771 1.00853.20 C ATOM 18407 O3* A B 913 -819.796 -59.357 20.795 1.00853.20 O ATOM 18408 C2* A B 913 -818.325 -61.283 21.155 1.00853.20 C ATOM 18409 O2* A B 913 -817.572 -60.788 20.068 1.00853.20 O ATOM 18410 C1* A B 913 -817.393 -61.604 22.325 1.00853.20 C ATOM 18411 N9 A B 913 -817.874 -62.744 23.106 1.00853.20 N ATOM 18412 C8 A B 913 -818.863 -62.743 24.058 1.00853.20 C ATOM 18413 N7 A B 913 -819.095 -63.922 24.579 1.00853.20 N ATOM 18414 C5 A B 913 -818.197 -64.757 23.927 1.00853.20 C ATOM 18415 C6 A B 913 -817.946 -66.134 24.024 1.00853.20 C ATOM 18416 N6 A B 913 -818.604 -66.950 24.851 1.00853.20 N ATOM 18417 N1 A B 913 -816.980 -66.655 23.233 1.00853.20 N ATOM 18418 C2 A B 913 -816.326 -65.834 22.402 1.00853.20 C ATOM 18419 N3 A B 913 -816.471 -64.524 22.218 1.00853.20 N ATOM 18420 C4 A B 913 -817.435 -64.041 23.021 1.00853.20 C ATOM 18421 P C B 914 -821.278 -59.650 20.236 1.00853.20 P ATOM 18422 O1P C B 914 -821.910 -58.335 19.957 1.00853.20 O ATOM 18423 O2P C B 914 -821.943 -60.602 21.157 1.00853.20 O ATOM 18424 O5* C B 914 -821.042 -60.390 18.845 1.00853.20 O ATOM 18425 C5* C B 914 -821.076 -59.669 17.612 1.00853.20 C ATOM 18426 C4* C B 914 -820.907 -60.613 16.445 1.00853.20 C ATOM 18427 O4* C B 914 -819.627 -61.287 16.565 1.00853.20 O ATOM 18428 C3* C B 914 -821.930 -61.735 16.365 1.00853.20 C ATOM 18429 O3* C B 914 -823.118 -61.352 15.681 1.00853.20 O ATOM 18430 C2* C B 914 -821.176 -62.825 15.611 1.00853.20 C ATOM 18431 O2* C B 914 -821.211 -62.639 14.210 1.00853.20 O ATOM 18432 C1* C B 914 -819.748 -62.626 16.117 1.00853.20 C ATOM 18433 N1 C B 914 -819.419 -63.521 17.238 1.00853.20 N ATOM 18434 C2 C B 914 -818.737 -64.713 16.976 1.00853.20 C ATOM 18435 O2 C B 914 -818.414 -64.970 15.806 1.00853.20 O ATOM 18436 N3 C B 914 -818.447 -65.550 17.995 1.00853.20 N ATOM 18437 C4 C B 914 -818.808 -65.234 19.240 1.00853.20 C ATOM 18438 N4 C B 914 -818.507 -66.092 20.218 1.00853.20 N ATOM 18439 C5 C B 914 -819.500 -64.021 19.540 1.00853.20 C ATOM 18440 C6 C B 914 -819.781 -63.203 18.518 1.00853.20 C ATOM 18441 P C B 915 -824.476 -62.181 15.919 1.00853.20 P ATOM 18442 O1P C B 915 -825.562 -61.477 15.190 1.00853.20 O ATOM 18443 O2P C B 915 -824.618 -62.442 17.372 1.00853.20 O ATOM 18444 O5* C B 915 -824.216 -63.574 15.184 1.00853.20 O ATOM 18445 C5* C B 915 -824.127 -63.642 13.765 1.00853.20 C ATOM 18446 C4* C B 915 -823.777 -65.047 13.330 1.00853.20 C ATOM 18447 O4* C B 915 -822.457 -65.393 13.826 1.00853.20 O ATOM 18448 C3* C B 915 -824.690 -66.112 13.902 1.00853.20 C ATOM 18449 O3* C B 915 -825.863 -66.286 13.115 1.00853.20 O ATOM 18450 C2* C B 915 -823.806 -67.354 13.898 1.00853.20 C ATOM 18451 O2* C B 915 -823.777 -67.998 12.640 1.00853.20 O ATOM 18452 C1* C B 915 -822.432 -66.758 14.207 1.00853.20 C ATOM 18453 N1 C B 915 -822.112 -66.830 15.642 1.00853.20 N ATOM 18454 C2 C B 915 -821.535 -67.997 16.142 1.00853.20 C ATOM 18455 O2 C B 915 -821.290 -68.928 15.359 1.00853.20 O ATOM 18456 N3 C B 915 -821.261 -68.088 17.465 1.00853.20 N ATOM 18457 C4 C B 915 -821.538 -67.062 18.272 1.00853.20 C ATOM 18458 N4 C B 915 -821.259 -67.198 19.569 1.00853.20 N ATOM 18459 C5 C B 915 -822.116 -65.854 17.785 1.00853.20 C ATOM 18460 C6 C B 915 -822.384 -65.783 16.476 1.00853.20 C ATOM 18461 P U B 916 -827.179 -66.912 13.788 1.00853.20 P ATOM 18462 O1P U B 916 -828.240 -66.953 12.751 1.00853.20 O ATOM 18463 O2P U B 916 -827.430 -66.198 15.068 1.00853.20 O ATOM 18464 O5* U B 916 -826.759 -68.407 14.132 1.00853.20 O ATOM 18465 C5* U B 916 -826.533 -69.355 13.095 1.00853.20 C ATOM 18466 C4* U B 916 -825.857 -70.586 13.649 1.00853.20 C ATOM 18467 O4* U B 916 -824.640 -70.200 14.344 1.00853.20 O ATOM 18468 C3* U B 916 -826.620 -71.404 14.672 1.00853.20 C ATOM 18469 O3* U B 916 -827.549 -72.290 14.059 1.00853.20 O ATOM 18470 C2* U B 916 -825.508 -72.150 15.396 1.00853.20 C ATOM 18471 O2* U B 916 -825.077 -73.283 14.672 1.00853.20 O ATOM 18472 C1* U B 916 -824.384 -71.113 15.396 1.00853.20 C ATOM 18473 N1 U B 916 -824.302 -70.358 16.652 1.00853.20 N ATOM 18474 C2 U B 916 -823.776 -71.002 17.761 1.00853.20 C ATOM 18475 O2 U B 916 -823.380 -72.155 17.729 1.00853.20 O ATOM 18476 N3 U B 916 -823.731 -70.242 18.903 1.00853.20 N ATOM 18477 C4 U B 916 -824.149 -68.938 19.053 1.00853.20 C ATOM 18478 O4 U B 916 -824.056 -68.394 20.152 1.00853.20 O ATOM 18479 C5 U B 916 -824.678 -68.341 17.865 1.00853.20 C ATOM 18480 C6 U B 916 -824.733 -69.056 16.735 1.00853.20 C ATOM 18481 P U B 917 -828.762 -72.899 14.926 1.00853.20 P ATOM 18482 O1P U B 917 -829.379 -73.984 14.124 1.00853.20 O ATOM 18483 O2P U B 917 -829.604 -71.772 15.406 1.00853.20 O ATOM 18484 O5* U B 917 -828.052 -73.563 16.190 1.00853.20 O ATOM 18485 C5* U B 917 -827.535 -74.888 16.122 1.00853.20 C ATOM 18486 C4* U B 917 -827.225 -75.407 17.505 1.00853.20 C ATOM 18487 O4* U B 917 -826.252 -74.539 18.131 1.00853.20 O ATOM 18488 C3* U B 917 -828.386 -75.455 18.490 1.00853.20 C ATOM 18489 O3* U B 917 -829.142 -76.651 18.362 1.00853.20 O ATOM 18490 C2* U B 917 -827.678 -75.382 19.842 1.00853.20 C ATOM 18491 O2* U B 917 -827.218 -76.642 20.281 1.00853.20 O ATOM 18492 C1* U B 917 -826.466 -74.501 19.523 1.00853.20 C ATOM 18493 N1 U B 917 -826.568 -73.093 19.935 1.00853.20 N ATOM 18494 C2 U B 917 -826.383 -72.803 21.275 1.00853.20 C ATOM 18495 O2 U B 917 -826.136 -73.657 22.109 1.00853.20 O ATOM 18496 N3 U B 917 -826.490 -71.475 21.600 1.00853.20 N ATOM 18497 C4 U B 917 -826.759 -70.429 20.740 1.00853.20 C ATOM 18498 O4 U B 917 -826.843 -69.284 21.189 1.00853.20 O ATOM 18499 C5 U B 917 -826.935 -70.810 19.373 1.00853.20 C ATOM 18500 C6 U B 917 -826.838 -72.098 19.025 1.00853.20 C ATOM 18501 P A B 918 -830.678 -76.675 18.824 1.00853.20 P ATOM 18502 O1P A B 918 -830.868 -77.876 19.672 1.00853.20 O ATOM 18503 O2P A B 918 -831.526 -76.481 17.621 1.00853.20 O ATOM 18504 O5* A B 918 -830.815 -75.386 19.750 1.00853.20 O ATOM 18505 C5* A B 918 -830.765 -75.498 21.168 1.00853.20 C ATOM 18506 C4* A B 918 -830.455 -74.155 21.781 1.00853.20 C ATOM 18507 O4* A B 918 -829.886 -73.284 20.769 1.00853.20 O ATOM 18508 C3* A B 918 -831.634 -73.365 22.294 1.00853.20 C ATOM 18509 O3* A B 918 -832.013 -73.805 23.589 1.00853.20 O ATOM 18510 C2* A B 918 -831.112 -71.938 22.289 1.00853.20 C ATOM 18511 O2* A B 918 -830.326 -71.640 23.424 1.00853.20 O ATOM 18512 C1* A B 918 -830.256 -71.942 21.027 1.00853.20 C ATOM 18513 N9 A B 918 -831.043 -71.472 19.888 1.00853.20 N ATOM 18514 C8 A B 918 -832.156 -72.060 19.346 1.00853.20 C ATOM 18515 N7 A B 918 -832.673 -71.390 18.343 1.00853.20 N ATOM 18516 C5 A B 918 -831.837 -70.291 18.213 1.00853.20 C ATOM 18517 C6 A B 918 -831.842 -69.199 17.333 1.00853.20 C ATOM 18518 N6 A B 918 -832.759 -69.025 16.374 1.00853.20 N ATOM 18519 N1 A B 918 -830.866 -68.277 17.469 1.00853.20 N ATOM 18520 C2 A B 918 -829.953 -68.450 18.431 1.00853.20 C ATOM 18521 N3 A B 918 -829.840 -69.434 19.321 1.00853.20 N ATOM 18522 C4 A B 918 -830.824 -70.334 19.154 1.00853.20 C ATOM 18523 P U B 919 -833.474 -73.443 24.139 1.00853.20 P ATOM 18524 O1P U B 919 -834.191 -74.739 24.266 1.00853.20 O ATOM 18525 O2P U B 919 -834.051 -72.375 23.290 1.00853.20 O ATOM 18526 O5* U B 919 -833.213 -72.828 25.589 1.00853.20 O ATOM 18527 C5* U B 919 -832.060 -72.029 25.863 1.00853.20 C ATOM 18528 C4* U B 919 -832.007 -71.662 27.334 1.00853.20 C ATOM 18529 O4* U B 919 -830.757 -70.989 27.623 1.00853.20 O ATOM 18530 C3* U B 919 -833.096 -70.704 27.816 1.00853.20 C ATOM 18531 O3* U B 919 -834.276 -71.398 28.202 1.00853.20 O ATOM 18532 C2* U B 919 -832.440 -70.021 29.016 1.00853.20 C ATOM 18533 O2* U B 919 -832.584 -70.757 30.213 1.00853.20 O ATOM 18534 C1* U B 919 -830.965 -69.996 28.605 1.00853.20 C ATOM 18535 N1 U B 919 -830.483 -68.709 28.078 1.00853.20 N ATOM 18536 C2 U B 919 -830.118 -67.734 28.988 1.00853.20 C ATOM 18537 O2 U B 919 -830.211 -67.885 30.194 1.00853.20 O ATOM 18538 N3 U B 919 -829.650 -66.571 28.430 1.00853.20 N ATOM 18539 C4 U B 919 -829.509 -66.290 27.089 1.00853.20 C ATOM 18540 O4 U B 919 -829.036 -65.205 26.742 1.00853.20 O ATOM 18541 C5 U B 919 -829.920 -67.344 26.212 1.00853.20 C ATOM 18542 C6 U B 919 -830.382 -68.486 26.725 1.00853.20 C ATOM 18543 P G B 920 -835.637 -70.586 28.450 1.00853.20 P ATOM 18544 O1P G B 920 -836.723 -71.299 27.735 1.00853.20 O ATOM 18545 O2P G B 920 -835.390 -69.151 28.163 1.00853.20 O ATOM 18546 O5* G B 920 -835.898 -70.740 30.015 1.00853.20 O ATOM 18547 C5* G B 920 -836.416 -69.655 30.766 1.00853.20 C ATOM 18548 C4* G B 920 -835.444 -69.248 31.846 1.00853.20 C ATOM 18549 O4* G B 920 -834.181 -68.840 31.269 1.00853.20 O ATOM 18550 C3* G B 920 -835.898 -68.061 32.689 1.00853.20 C ATOM 18551 O3* G B 920 -836.759 -68.476 33.741 1.00853.20 O ATOM 18552 C2* G B 920 -834.582 -67.489 33.195 1.00853.20 C ATOM 18553 O2* G B 920 -834.145 -68.175 34.346 1.00853.20 O ATOM 18554 C1* G B 920 -833.637 -67.767 32.021 1.00853.20 C ATOM 18555 N9 G B 920 -833.477 -66.634 31.113 1.00853.20 N ATOM 18556 C8 G B 920 -833.709 -66.637 29.757 1.00853.20 C ATOM 18557 N7 G B 920 -833.481 -65.483 29.195 1.00853.20 N ATOM 18558 C5 G B 920 -833.070 -64.667 30.240 1.00853.20 C ATOM 18559 C6 G B 920 -832.686 -63.300 30.234 1.00853.20 C ATOM 18560 O6 G B 920 -832.631 -62.522 29.280 1.00853.20 O ATOM 18561 N1 G B 920 -832.347 -62.861 31.509 1.00853.20 N ATOM 18562 C2 G B 920 -832.368 -63.632 32.642 1.00853.20 C ATOM 18563 N2 G B 920 -832.004 -63.014 33.776 1.00853.20 N ATOM 18564 N3 G B 920 -832.726 -64.912 32.662 1.00853.20 N ATOM 18565 C4 G B 920 -833.062 -65.357 31.430 1.00853.20 C ATOM 18566 P A B 921 -838.324 -68.149 33.662 1.00853.20 P ATOM 18567 O1P A B 921 -838.985 -68.893 34.765 1.00853.20 O ATOM 18568 O2P A B 921 -838.774 -68.357 32.263 1.00853.20 O ATOM 18569 O5* A B 921 -838.393 -66.596 33.993 1.00853.20 O ATOM 18570 C5* A B 921 -838.316 -66.139 35.338 1.00853.20 C ATOM 18571 C4* A B 921 -838.326 -64.635 35.385 1.00853.20 C ATOM 18572 O4* A B 921 -837.149 -64.089 34.740 1.00853.20 O ATOM 18573 C3* A B 921 -839.489 -63.950 34.696 1.00853.20 C ATOM 18574 O3* A B 921 -840.613 -63.934 35.564 1.00853.20 O ATOM 18575 C2* A B 921 -838.947 -62.553 34.424 1.00853.20 C ATOM 18576 O2* A B 921 -839.061 -61.708 35.547 1.00853.20 O ATOM 18577 C1* A B 921 -837.464 -62.830 34.164 1.00853.20 C ATOM 18578 N9 A B 921 -837.115 -62.860 32.744 1.00853.20 N ATOM 18579 C8 A B 921 -837.371 -63.841 31.818 1.00853.20 C ATOM 18580 N7 A B 921 -836.922 -63.562 30.618 1.00853.20 N ATOM 18581 C5 A B 921 -836.328 -62.317 30.765 1.00853.20 C ATOM 18582 C6 A B 921 -835.666 -61.471 29.855 1.00853.20 C ATOM 18583 N6 A B 921 -835.479 -61.764 28.567 1.00853.20 N ATOM 18584 N1 A B 921 -835.194 -60.294 30.324 1.00853.20 N ATOM 18585 C2 A B 921 -835.381 -59.999 31.617 1.00853.20 C ATOM 18586 N3 A B 921 -835.984 -60.708 32.565 1.00853.20 N ATOM 18587 C4 A B 921 -836.444 -61.872 32.067 1.00853.20 C ATOM 18588 P A B 922 -841.987 -63.263 35.070 1.00853.20 P ATOM 18589 O1P A B 922 -843.082 -63.863 35.873 1.00853.20 O ATOM 18590 O2P A B 922 -842.043 -63.333 33.588 1.00853.20 O ATOM 18591 O5* A B 922 -841.842 -61.736 35.498 1.00853.20 O ATOM 18592 C5* A B 922 -841.765 -61.379 36.871 1.00853.20 C ATOM 18593 C4* A B 922 -841.947 -59.890 37.040 1.00853.20 C ATOM 18594 O4* A B 922 -841.966 -59.583 38.456 1.00853.20 O ATOM 18595 C3* A B 922 -840.844 -58.996 36.497 1.00853.20 C ATOM 18596 O3* A B 922 -841.010 -58.751 35.099 1.00853.20 O ATOM 18597 C2* A B 922 -840.997 -57.723 37.316 1.00853.20 C ATOM 18598 O2* A B 922 -841.971 -56.852 36.781 1.00853.20 O ATOM 18599 C1* A B 922 -841.482 -58.268 38.664 1.00853.20 C ATOM 18600 N9 A B 922 -840.439 -58.331 39.685 1.00853.20 N ATOM 18601 C8 A B 922 -839.253 -59.026 39.639 1.00853.20 C ATOM 18602 N7 A B 922 -838.522 -58.899 40.718 1.00853.20 N ATOM 18603 C5 A B 922 -839.271 -58.062 41.532 1.00853.20 C ATOM 18604 C6 A B 922 -839.043 -57.542 42.818 1.00853.20 C ATOM 18605 N6 A B 922 -837.952 -57.800 43.540 1.00853.20 N ATOM 18606 N1 A B 922 -839.990 -56.735 43.345 1.00853.20 N ATOM 18607 C2 A B 922 -841.086 -56.474 42.621 1.00853.20 C ATOM 18608 N3 A B 922 -841.412 -56.903 41.404 1.00853.20 N ATOM 18609 C4 A B 922 -840.452 -57.702 40.909 1.00853.20 C ATOM 18610 P A B 923 -839.740 -58.338 34.199 1.00853.20 P ATOM 18611 O1P A B 923 -840.193 -58.302 32.784 1.00853.20 O ATOM 18612 O2P A B 923 -838.600 -59.204 34.580 1.00853.20 O ATOM 18613 O5* A B 923 -839.393 -56.847 34.646 1.00853.20 O ATOM 18614 C5* A B 923 -840.287 -55.761 34.381 1.00853.20 C ATOM 18615 C4* A B 923 -839.860 -54.534 35.156 1.00853.20 C ATOM 18616 O4* A B 923 -839.946 -54.827 36.572 1.00853.20 O ATOM 18617 C3* A B 923 -838.417 -54.129 34.975 1.00853.20 C ATOM 18618 O3* A B 923 -838.273 -53.331 33.805 1.00853.20 O ATOM 18619 C2* A B 923 -838.112 -53.353 36.248 1.00853.20 C ATOM 18620 O2* A B 923 -838.544 -52.009 36.187 1.00853.20 O ATOM 18621 C1* A B 923 -838.945 -54.120 37.279 1.00853.20 C ATOM 18622 N9 A B 923 -838.159 -55.128 37.987 1.00853.20 N ATOM 18623 C8 A B 923 -837.617 -56.263 37.448 1.00853.20 C ATOM 18624 N7 A B 923 -836.875 -56.944 38.280 1.00853.20 N ATOM 18625 C5 A B 923 -836.947 -56.216 39.458 1.00853.20 C ATOM 18626 C6 A B 923 -836.359 -56.403 40.708 1.00853.20 C ATOM 18627 N6 A B 923 -835.520 -57.404 40.978 1.00853.20 N ATOM 18628 N1 A B 923 -836.651 -55.512 41.680 1.00853.20 N ATOM 18629 C2 A B 923 -837.468 -54.495 41.391 1.00853.20 C ATOM 18630 N3 A B 923 -838.069 -54.199 40.240 1.00853.20 N ATOM 18631 C4 A B 923 -837.762 -55.112 39.303 1.00853.20 C ATOM 18632 P C B 924 -837.436 -53.892 32.553 1.00853.20 P ATOM 18633 O1P C B 924 -836.472 -54.898 33.068 1.00853.20 O ATOM 18634 O2P C B 924 -836.937 -52.728 31.777 1.00853.20 O ATOM 18635 O5* C B 924 -838.530 -54.647 31.675 1.00853.20 O ATOM 18636 C5* C B 924 -838.703 -54.319 30.300 1.00853.20 C ATOM 18637 C4* C B 924 -837.565 -54.877 29.480 1.00853.20 C ATOM 18638 O4* C B 924 -837.154 -56.161 30.023 1.00853.20 O ATOM 18639 C3* C B 924 -837.898 -55.148 28.029 1.00853.20 C ATOM 18640 O3* C B 924 -837.697 -53.981 27.243 1.00853.20 O ATOM 18641 C2* C B 924 -836.923 -56.258 27.651 1.00853.20 C ATOM 18642 O2* C B 924 -835.648 -55.758 27.294 1.00853.20 O ATOM 18643 C1* C B 924 -836.815 -57.039 28.960 1.00853.20 C ATOM 18644 N1 C B 924 -837.710 -58.214 29.006 1.00853.20 N ATOM 18645 C2 C B 924 -837.463 -59.277 28.125 1.00853.20 C ATOM 18646 O2 C B 924 -836.513 -59.199 27.340 1.00853.20 O ATOM 18647 N3 C B 924 -838.273 -60.360 28.160 1.00853.20 N ATOM 18648 C4 C B 924 -839.287 -60.409 29.026 1.00853.20 C ATOM 18649 N4 C B 924 -840.051 -61.509 29.023 1.00853.20 N ATOM 18650 C5 C B 924 -839.564 -59.339 29.927 1.00853.20 C ATOM 18651 C6 C B 924 -838.755 -58.270 29.882 1.00853.20 C ATOM 18652 P U B 925 -838.964 -53.106 26.780 1.00853.20 P ATOM 18653 O1P U B 925 -838.590 -51.675 26.904 1.00853.20 O ATOM 18654 O2P U B 925 -840.165 -53.616 27.488 1.00853.20 O ATOM 18655 O5* U B 925 -839.115 -53.448 25.231 1.00853.20 O ATOM 18656 C5* U B 925 -838.285 -52.821 24.257 1.00853.20 C ATOM 18657 C4* U B 925 -838.134 -53.715 23.051 1.00853.20 C ATOM 18658 O4* U B 925 -837.609 -55.001 23.468 1.00853.20 O ATOM 18659 C3* U B 925 -839.420 -54.000 22.275 1.00853.20 C ATOM 18660 O3* U B 925 -839.601 -53.060 21.222 1.00853.20 O ATOM 18661 C2* U B 925 -839.157 -55.386 21.686 1.00853.20 C ATOM 18662 O2* U B 925 -838.465 -55.330 20.456 1.00853.20 O ATOM 18663 C1* U B 925 -838.251 -56.025 22.740 1.00853.20 C ATOM 18664 N1 U B 925 -838.901 -56.949 23.681 1.00853.20 N ATOM 18665 C2 U B 925 -839.221 -58.212 23.223 1.00853.20 C ATOM 18666 O2 U B 925 -839.036 -58.562 22.072 1.00853.20 O ATOM 18667 N3 U B 925 -839.768 -59.047 24.163 1.00853.20 N ATOM 18668 C4 U B 925 -840.029 -58.754 25.485 1.00853.20 C ATOM 18669 O4 U B 925 -840.413 -59.651 26.235 1.00853.20 O ATOM 18670 C5 U B 925 -839.701 -57.418 25.875 1.00853.20 C ATOM 18671 C6 U B 925 -839.162 -56.579 24.981 1.00853.20 C ATOM 18672 P C B 926 -841.073 -52.535 20.851 1.00853.20 P ATOM 18673 O1P C B 926 -841.066 -51.055 20.952 1.00853.20 O ATOM 18674 O2P C B 926 -842.069 -53.320 21.624 1.00853.20 O ATOM 18675 O5* C B 926 -841.206 -52.925 19.312 1.00853.20 O ATOM 18676 C5* C B 926 -841.738 -52.017 18.355 1.00853.20 C ATOM 18677 C4* C B 926 -842.229 -52.777 17.143 1.00853.20 C ATOM 18678 O4* C B 926 -841.079 -53.357 16.473 1.00853.20 O ATOM 18679 C3* C B 926 -843.170 -53.965 17.325 1.00853.20 C ATOM 18680 O3* C B 926 -844.528 -53.566 17.456 1.00853.20 O ATOM 18681 C2* C B 926 -842.954 -54.765 16.047 1.00853.20 C ATOM 18682 O2* C B 926 -843.719 -54.277 14.965 1.00853.20 O ATOM 18683 C1* C B 926 -841.469 -54.520 15.766 1.00853.20 C ATOM 18684 N1 C B 926 -840.600 -55.629 16.190 1.00853.20 N ATOM 18685 C2 C B 926 -840.613 -56.820 15.452 1.00853.20 C ATOM 18686 O2 C B 926 -841.358 -56.906 14.465 1.00853.20 O ATOM 18687 N3 C B 926 -839.816 -57.844 15.835 1.00853.20 N ATOM 18688 C4 C B 926 -839.029 -57.713 16.906 1.00853.20 C ATOM 18689 N4 C B 926 -838.257 -58.749 17.246 1.00853.20 N ATOM 18690 C5 C B 926 -838.996 -56.514 17.674 1.00853.20 C ATOM 18691 C6 C B 926 -839.790 -55.508 17.283 1.00853.20 C ATOM 18692 P C B 927 -845.411 -54.100 18.689 1.00853.20 P ATOM 18693 O1P C B 927 -846.782 -53.566 18.503 1.00853.20 O ATOM 18694 O2P C B 927 -844.679 -53.820 19.950 1.00853.20 O ATOM 18695 O5* C B 927 -845.471 -55.681 18.484 1.00853.20 O ATOM 18696 C5* C B 927 -845.715 -56.242 17.199 1.00853.20 C ATOM 18697 C4* C B 927 -846.251 -57.647 17.328 1.00853.20 C ATOM 18698 O4* C B 927 -845.349 -58.445 18.142 1.00853.20 O ATOM 18699 C3* C B 927 -847.595 -57.815 18.005 1.00853.20 C ATOM 18700 O3* C B 927 -848.654 -57.579 17.089 1.00853.20 O ATOM 18701 C2* C B 927 -847.554 -59.262 18.478 1.00853.20 C ATOM 18702 O2* C B 927 -847.895 -60.174 17.452 1.00853.20 O ATOM 18703 C1* C B 927 -846.085 -59.427 18.857 1.00853.20 C ATOM 18704 N1 C B 927 -845.893 -59.195 20.297 1.00853.20 N ATOM 18705 C2 C B 927 -846.160 -60.236 21.199 1.00853.20 C ATOM 18706 O2 C B 927 -846.502 -61.345 20.762 1.00853.20 O ATOM 18707 N3 C B 927 -846.043 -60.005 22.526 1.00853.20 N ATOM 18708 C4 C B 927 -845.668 -58.802 22.963 1.00853.20 C ATOM 18709 N4 C B 927 -845.590 -58.612 24.278 1.00853.20 N ATOM 18710 C5 C B 927 -845.361 -57.735 22.068 1.00853.20 C ATOM 18711 C6 C B 927 -845.485 -57.973 20.758 1.00853.20 C ATOM 18712 P G B 928 -850.010 -56.890 17.609 1.00853.20 P ATOM 18713 O1P G B 928 -850.918 -56.730 16.445 1.00853.20 O ATOM 18714 O2P G B 928 -849.640 -55.699 18.418 1.00853.20 O ATOM 18715 O5* G B 928 -850.641 -57.975 18.591 1.00853.20 O ATOM 18716 C5* G B 928 -851.278 -59.146 18.082 1.00853.20 C ATOM 18717 C4* G B 928 -851.822 -59.983 19.218 1.00853.20 C ATOM 18718 O4* G B 928 -850.725 -60.496 20.020 1.00853.20 O ATOM 18719 C3* G B 928 -852.668 -59.178 20.189 1.00853.20 C ATOM 18720 O3* G B 928 -854.025 -59.104 19.773 1.00853.20 O ATOM 18721 C2* G B 928 -852.506 -59.940 21.497 1.00853.20 C ATOM 18722 O2* G B 928 -853.367 -61.056 21.587 1.00853.20 O ATOM 18723 C1* G B 928 -851.052 -60.410 21.398 1.00853.20 C ATOM 18724 N9 G B 928 -850.138 -59.452 22.011 1.00853.20 N ATOM 18725 C8 G B 928 -849.299 -58.593 21.339 1.00853.20 C ATOM 18726 N7 G B 928 -848.598 -57.835 22.131 1.00853.20 N ATOM 18727 C5 G B 928 -848.990 -58.215 23.410 1.00853.20 C ATOM 18728 C6 G B 928 -848.568 -57.737 24.673 1.00853.20 C ATOM 18729 O6 G B 928 -847.739 -56.854 24.926 1.00853.20 O ATOM 18730 N1 G B 928 -849.207 -58.401 25.710 1.00853.20 N ATOM 18731 C2 G B 928 -850.140 -59.391 25.559 1.00853.20 C ATOM 18732 N2 G B 928 -850.624 -59.909 26.695 1.00853.20 N ATOM 18733 N3 G B 928 -850.561 -59.844 24.381 1.00853.20 N ATOM 18734 C4 G B 928 -849.939 -59.214 23.355 1.00853.20 C ATOM 18735 P A B 929 -854.783 -57.691 19.816 1.00853.20 P ATOM 18736 O1P A B 929 -856.128 -57.891 19.213 1.00853.20 O ATOM 18737 O2P A B 929 -853.883 -56.645 19.267 1.00853.20 O ATOM 18738 O5* A B 929 -854.979 -57.414 21.372 1.00853.20 O ATOM 18739 C5* A B 929 -856.228 -57.660 21.995 1.00853.20 C ATOM 18740 C4* A B 929 -856.378 -59.133 22.266 1.00853.20 C ATOM 18741 O4* A B 929 -855.207 -59.630 22.961 1.00853.20 O ATOM 18742 C3* A B 929 -857.489 -59.550 23.204 1.00853.20 C ATOM 18743 O3* A B 929 -858.733 -59.515 22.503 1.00853.20 O ATOM 18744 C2* A B 929 -857.065 -60.936 23.675 1.00853.20 C ATOM 18745 O2* A B 929 -857.475 -61.949 22.778 1.00853.20 O ATOM 18746 C1* A B 929 -855.535 -60.819 23.661 1.00853.20 C ATOM 18747 N9 A B 929 -854.920 -60.750 24.993 1.00853.20 N ATOM 18748 C8 A B 929 -853.891 -59.937 25.424 1.00853.20 C ATOM 18749 N7 A B 929 -853.557 -60.115 26.692 1.00853.20 N ATOM 18750 C5 A B 929 -854.418 -61.114 27.112 1.00853.20 C ATOM 18751 C6 A B 929 -854.561 -61.751 28.341 1.00853.20 C ATOM 18752 N6 A B 929 -853.792 -61.460 29.402 1.00853.20 N ATOM 18753 N1 A B 929 -855.518 -62.700 28.448 1.00853.20 N ATOM 18754 C2 A B 929 -856.268 -62.982 27.369 1.00853.20 C ATOM 18755 N3 A B 929 -856.221 -62.454 26.150 1.00853.20 N ATOM 18756 C4 A B 929 -855.264 -61.513 26.084 1.00853.20 C ATOM 18757 P A B 930 -860.089 -60.031 23.215 1.00853.20 P ATOM 18758 O1P A B 930 -859.956 -61.489 23.441 1.00853.20 O ATOM 18759 O2P A B 930 -861.216 -59.517 22.398 1.00853.20 O ATOM 18760 O5* A B 930 -860.159 -59.293 24.628 1.00853.20 O ATOM 18761 C5* A B 930 -859.435 -59.773 25.762 1.00853.20 C ATOM 18762 C4* A B 930 -860.079 -61.028 26.308 1.00853.20 C ATOM 18763 O4* A B 930 -859.191 -61.641 27.274 1.00853.20 O ATOM 18764 C3* A B 930 -861.409 -60.853 27.022 1.00853.20 C ATOM 18765 O3* A B 930 -862.498 -60.883 26.105 1.00853.20 O ATOM 18766 C2* A B 930 -861.432 -62.044 27.974 1.00853.20 C ATOM 18767 O2* A B 930 -861.887 -63.228 27.343 1.00853.20 O ATOM 18768 C1* A B 930 -859.952 -62.204 28.327 1.00853.20 C ATOM 18769 N9 A B 930 -859.574 -61.530 29.569 1.00853.20 N ATOM 18770 C8 A B 930 -859.874 -61.908 30.853 1.00853.20 C ATOM 18771 N7 A B 930 -859.405 -61.094 31.767 1.00853.20 N ATOM 18772 C5 A B 930 -858.747 -60.114 31.038 1.00853.20 C ATOM 18773 C6 A B 930 -858.039 -58.963 31.423 1.00853.20 C ATOM 18774 N6 A B 930 -857.873 -58.588 32.694 1.00853.20 N ATOM 18775 N1 A B 930 -857.499 -58.201 30.446 1.00853.20 N ATOM 18776 C2 A B 930 -857.667 -58.580 29.174 1.00853.20 C ATOM 18777 N3 A B 930 -858.317 -59.632 28.688 1.00853.20 N ATOM 18778 C4 A B 930 -858.840 -60.371 29.682 1.00853.20 C ATOM 18779 P G B 931 -864.005 -60.658 26.630 1.00853.20 P ATOM 18780 O1P G B 931 -864.554 -61.997 26.966 1.00853.20 O ATOM 18781 O2P G B 931 -864.716 -59.799 25.650 1.00853.20 O ATOM 18782 O5* G B 931 -863.848 -59.837 27.985 1.00853.20 O ATOM 18783 C5* G B 931 -864.164 -60.426 29.243 1.00853.20 C ATOM 18784 C4* G B 931 -863.521 -59.642 30.360 1.00853.20 C ATOM 18785 O4* G B 931 -862.131 -59.407 30.019 1.00853.20 O ATOM 18786 C3* G B 931 -864.053 -58.252 30.662 1.00853.20 C ATOM 18787 O3* G B 931 -865.202 -58.317 31.504 1.00853.20 O ATOM 18788 C2* G B 931 -862.868 -57.587 31.355 1.00853.20 C ATOM 18789 O2* G B 931 -862.791 -57.941 32.723 1.00853.20 O ATOM 18790 C1* G B 931 -861.686 -58.198 30.608 1.00853.20 C ATOM 18791 N9 G B 931 -861.162 -57.348 29.542 1.00853.20 N ATOM 18792 C8 G B 931 -861.482 -57.416 28.208 1.00853.20 C ATOM 18793 N7 G B 931 -860.836 -56.544 27.479 1.00853.20 N ATOM 18794 C5 G B 931 -860.042 -55.852 28.384 1.00853.20 C ATOM 18795 C6 G B 931 -859.100 -54.783 28.175 1.00853.20 C ATOM 18796 O6 G B 931 -858.761 -54.228 27.119 1.00853.20 O ATOM 18797 N1 G B 931 -858.527 -54.369 29.373 1.00853.20 N ATOM 18798 C2 G B 931 -858.816 -54.906 30.607 1.00853.20 C ATOM 18799 N2 G B 931 -858.189 -54.350 31.647 1.00853.20 N ATOM 18800 N3 G B 931 -859.667 -55.907 30.813 1.00853.20 N ATOM 18801 C4 G B 931 -860.239 -56.326 29.666 1.00853.20 C ATOM 18802 P G B 932 -866.336 -57.178 31.401 1.00853.20 P ATOM 18803 O1P G B 932 -867.155 -57.255 32.636 1.00853.20 O ATOM 18804 O2P G B 932 -866.995 -57.277 30.075 1.00853.20 O ATOM 18805 O5* G B 932 -865.514 -55.812 31.449 1.00853.20 O ATOM 18806 C5* G B 932 -865.015 -55.311 32.684 1.00853.20 C ATOM 18807 C4* G B 932 -864.372 -53.960 32.488 1.00853.20 C ATOM 18808 O4* G B 932 -863.186 -54.063 31.654 1.00853.20 O ATOM 18809 C3* G B 932 -865.214 -52.887 31.820 1.00853.20 C ATOM 18810 O3* G B 932 -866.135 -52.291 32.722 1.00853.20 O ATOM 18811 C2* G B 932 -864.155 -51.911 31.319 1.00853.20 C ATOM 18812 O2* G B 932 -863.713 -51.026 32.331 1.00853.20 O ATOM 18813 C1* G B 932 -863.008 -52.850 30.938 1.00853.20 C ATOM 18814 N9 G B 932 -862.958 -53.147 29.508 1.00853.20 N ATOM 18815 C8 G B 932 -863.788 -53.991 28.807 1.00853.20 C ATOM 18816 N7 G B 932 -863.495 -54.058 27.534 1.00853.20 N ATOM 18817 C5 G B 932 -862.407 -53.209 27.383 1.00853.20 C ATOM 18818 C6 G B 932 -861.650 -52.879 26.223 1.00853.20 C ATOM 18819 O6 G B 932 -861.794 -53.284 25.063 1.00853.20 O ATOM 18820 N1 G B 932 -860.633 -51.976 26.518 1.00853.20 N ATOM 18821 C2 G B 932 -860.372 -51.460 27.759 1.00853.20 C ATOM 18822 N2 G B 932 -859.344 -50.597 27.830 1.00853.20 N ATOM 18823 N3 G B 932 -861.065 -51.759 28.852 1.00853.20 N ATOM 18824 C4 G B 932 -862.062 -52.635 28.590 1.00853.20 C ATOM 18825 P G B 933 -867.417 -51.513 32.146 1.00853.20 P ATOM 18826 O1P G B 933 -868.327 -51.240 33.285 1.00853.20 O ATOM 18827 O2P G B 933 -867.920 -52.259 30.964 1.00853.20 O ATOM 18828 O5* G B 933 -866.813 -50.130 31.642 1.00853.20 O ATOM 18829 C5* G B 933 -866.118 -49.276 32.541 1.00853.20 C ATOM 18830 C4* G B 933 -865.320 -48.249 31.779 1.00853.20 C ATOM 18831 O4* G B 933 -864.360 -48.903 30.915 1.00853.20 O ATOM 18832 C3* G B 933 -866.102 -47.319 30.854 1.00853.20 C ATOM 18833 O3* G B 933 -866.662 -46.232 31.582 1.00853.20 O ATOM 18834 C2* G B 933 -865.043 -46.877 29.849 1.00853.20 C ATOM 18835 O2* G B 933 -864.271 -45.789 30.314 1.00853.20 O ATOM 18836 C1* G B 933 -864.154 -48.119 29.753 1.00853.20 C ATOM 18837 N9 G B 933 -864.382 -48.956 28.580 1.00853.20 N ATOM 18838 C8 G B 933 -865.089 -50.136 28.516 1.00853.20 C ATOM 18839 N7 G B 933 -865.090 -50.668 27.323 1.00853.20 N ATOM 18840 C5 G B 933 -864.348 -49.783 26.552 1.00853.20 C ATOM 18841 C6 G B 933 -864.001 -49.827 25.172 1.00853.20 C ATOM 18842 O6 G B 933 -864.283 -50.689 24.329 1.00853.20 O ATOM 18843 N1 G B 933 -863.241 -48.720 24.806 1.00853.20 N ATOM 18844 C2 G B 933 -862.859 -47.705 25.650 1.00853.20 C ATOM 18845 N2 G B 933 -862.130 -46.725 25.109 1.00853.20 N ATOM 18846 N3 G B 933 -863.171 -47.658 26.932 1.00853.20 N ATOM 18847 C4 G B 933 -863.911 -48.719 27.312 1.00853.20 C ATOM 18848 P G B 934 -867.881 -45.394 30.950 1.00853.20 P ATOM 18849 O1P G B 934 -868.010 -44.149 31.743 1.00853.20 O ATOM 18850 O2P G B 934 -869.050 -46.298 30.800 1.00853.20 O ATOM 18851 O5* G B 934 -867.350 -45.002 29.501 1.00853.20 O ATOM 18852 C5* G B 934 -866.462 -43.906 29.331 1.00853.20 C ATOM 18853 C4* G B 934 -866.556 -43.373 27.926 1.00853.20 C ATOM 18854 O4* G B 934 -865.758 -44.180 27.027 1.00853.20 O ATOM 18855 C3* G B 934 -867.947 -43.398 27.315 1.00853.20 C ATOM 18856 O3* G B 934 -868.733 -42.287 27.732 1.00853.20 O ATOM 18857 C2* G B 934 -867.661 -43.387 25.820 1.00853.20 C ATOM 18858 O2* G B 934 -867.450 -42.084 25.317 1.00853.20 O ATOM 18859 C1* G B 934 -866.352 -44.181 25.740 1.00853.20 C ATOM 18860 N9 G B 934 -866.531 -45.559 25.304 1.00853.20 N ATOM 18861 C8 G B 934 -867.076 -46.608 26.011 1.00853.20 C ATOM 18862 N7 G B 934 -867.080 -47.726 25.338 1.00853.20 N ATOM 18863 C5 G B 934 -866.506 -47.398 24.118 1.00853.20 C ATOM 18864 C6 G B 934 -866.239 -48.197 22.975 1.00853.20 C ATOM 18865 O6 G B 934 -866.448 -49.404 22.808 1.00853.20 O ATOM 18866 N1 G B 934 -865.666 -47.445 21.956 1.00853.20 N ATOM 18867 C2 G B 934 -865.383 -46.105 22.022 1.00853.20 C ATOM 18868 N2 G B 934 -864.851 -45.558 20.920 1.00853.20 N ATOM 18869 N3 G B 934 -865.609 -45.357 23.081 1.00853.20 N ATOM 18870 C4 G B 934 -866.171 -46.062 24.083 1.00853.20 C ATOM 18871 P C B 935 -870.246 -42.520 28.207 1.00853.20 P ATOM 18872 O1P C B 935 -870.611 -41.381 29.088 1.00853.20 O ATOM 18873 O2P C B 935 -870.381 -43.909 28.713 1.00853.20 O ATOM 18874 O5* C B 935 -871.094 -42.392 26.867 1.00853.20 O ATOM 18875 C5* C B 935 -871.054 -41.191 26.109 1.00853.20 C ATOM 18876 C4* C B 935 -871.074 -41.491 24.633 1.00853.20 C ATOM 18877 O4* C B 935 -870.013 -42.415 24.295 1.00853.20 O ATOM 18878 C3* C B 935 -872.316 -42.146 24.064 1.00853.20 C ATOM 18879 O3* C B 935 -873.338 -41.180 23.845 1.00853.20 O ATOM 18880 C2* C B 935 -871.804 -42.751 22.759 1.00853.20 C ATOM 18881 O2* C B 935 -871.753 -41.808 21.707 1.00853.20 O ATOM 18882 C1* C B 935 -870.374 -43.146 23.140 1.00853.20 C ATOM 18883 N1 C B 935 -870.243 -44.576 23.456 1.00853.20 N ATOM 18884 C2 C B 935 -869.796 -45.441 22.462 1.00853.20 C ATOM 18885 O2 C B 935 -869.536 -44.980 21.341 1.00853.20 O ATOM 18886 N3 C B 935 -869.659 -46.756 22.747 1.00853.20 N ATOM 18887 C4 C B 935 -869.957 -47.209 23.965 1.00853.20 C ATOM 18888 N4 C B 935 -869.804 -48.516 24.197 1.00853.20 N ATOM 18889 C5 C B 935 -870.419 -46.346 24.995 1.00853.20 C ATOM 18890 C6 C B 935 -870.544 -45.047 24.700 1.00853.20 C ATOM 18891 P A B 936 -874.869 -41.652 23.781 1.00853.20 P ATOM 18892 O1P A B 936 -875.708 -40.432 23.661 1.00853.20 O ATOM 18893 O2P A B 936 -875.112 -42.605 24.896 1.00853.20 O ATOM 18894 O5* A B 936 -874.954 -42.451 22.405 1.00853.20 O ATOM 18895 C5* A B 936 -874.748 -41.773 21.171 1.00853.20 C ATOM 18896 C4* A B 936 -874.845 -42.740 20.017 1.00853.20 C ATOM 18897 O4* A B 936 -873.672 -43.595 19.953 1.00853.20 O ATOM 18898 C3* A B 936 -876.020 -43.692 20.115 1.00853.20 C ATOM 18899 O3* A B 936 -877.209 -43.092 19.623 1.00853.20 O ATOM 18900 C2* A B 936 -875.563 -44.874 19.267 1.00853.20 C ATOM 18901 O2* A B 936 -875.793 -44.675 17.885 1.00853.20 O ATOM 18902 C1* A B 936 -874.054 -44.891 19.536 1.00853.20 C ATOM 18903 N9 A B 936 -873.677 -45.856 20.567 1.00853.20 N ATOM 18904 C8 A B 936 -873.463 -45.638 21.907 1.00853.20 C ATOM 18905 N7 A B 936 -873.140 -46.720 22.575 1.00853.20 N ATOM 18906 C5 A B 936 -873.141 -47.719 21.608 1.00853.20 C ATOM 18907 C6 A B 936 -872.879 -49.100 21.672 1.00853.20 C ATOM 18908 N6 A B 936 -872.552 -49.742 22.798 1.00853.20 N ATOM 18909 N1 A B 936 -872.964 -49.811 20.527 1.00853.20 N ATOM 18910 C2 A B 936 -873.293 -49.166 19.398 1.00853.20 C ATOM 18911 N3 A B 936 -873.562 -47.878 19.212 1.00853.20 N ATOM 18912 C4 A B 936 -873.469 -47.202 20.371 1.00853.20 C ATOM 18913 P C B 937 -878.630 -43.566 20.201 1.00853.20 P ATOM 18914 O1P C B 937 -879.589 -42.444 20.030 1.00853.20 O ATOM 18915 O2P C B 937 -878.415 -44.148 21.549 1.00853.20 O ATOM 18916 O5* C B 937 -879.054 -44.739 19.216 1.00853.20 O ATOM 18917 C5* C B 937 -879.077 -44.535 17.807 1.00853.20 C ATOM 18918 C4* C B 937 -879.209 -45.860 17.096 1.00853.20 C ATOM 18919 O4* C B 937 -877.942 -46.563 17.133 1.00853.20 O ATOM 18920 C3* C B 937 -880.191 -46.796 17.764 1.00853.20 C ATOM 18921 O3* C B 937 -881.520 -46.537 17.335 1.00853.20 O ATOM 18922 C2* C B 937 -879.682 -48.173 17.358 1.00853.20 C ATOM 18923 O2* C B 937 -880.122 -48.562 16.073 1.00853.20 O ATOM 18924 C1* C B 937 -878.168 -47.948 17.343 1.00853.20 C ATOM 18925 N1 C B 937 -877.547 -48.318 18.627 1.00853.20 N ATOM 18926 C2 C B 937 -876.894 -49.546 18.734 1.00853.20 C ATOM 18927 O2 C B 937 -876.840 -50.289 17.742 1.00853.20 O ATOM 18928 N3 C B 937 -876.337 -49.896 19.917 1.00853.20 N ATOM 18929 C4 C B 937 -876.416 -49.068 20.964 1.00853.20 C ATOM 18930 N4 C B 937 -875.855 -49.455 22.112 1.00853.20 N ATOM 18931 C5 C B 937 -877.072 -47.808 20.877 1.00853.20 C ATOM 18932 C6 C B 937 -877.618 -47.475 19.699 1.00853.20 C ATOM 18933 P G B 938 -882.392 -45.439 18.115 1.00853.20 P ATOM 18934 O1P G B 938 -882.379 -44.188 17.317 1.00853.20 O ATOM 18935 O2P G B 938 -881.941 -45.415 19.529 1.00853.20 O ATOM 18936 O5* G B 938 -883.863 -46.047 18.072 1.00853.20 O ATOM 18937 C5* G B 938 -884.381 -46.789 19.165 1.00853.20 C ATOM 18938 C4* G B 938 -884.085 -48.257 18.977 1.00853.20 C ATOM 18939 O4* G B 938 -882.657 -48.465 18.894 1.00853.20 O ATOM 18940 C3* G B 938 -884.538 -49.152 20.111 1.00853.20 C ATOM 18941 O3* G B 938 -885.917 -49.467 19.939 1.00853.20 O ATOM 18942 C2* G B 938 -883.611 -50.356 19.986 1.00853.20 C ATOM 18943 O2* G B 938 -884.065 -51.289 19.025 1.00853.20 O ATOM 18944 C1* G B 938 -882.316 -49.704 19.486 1.00853.20 C ATOM 18945 N9 G B 938 -881.342 -49.420 20.538 1.00853.20 N ATOM 18946 C8 G B 938 -880.985 -48.176 20.993 1.00853.20 C ATOM 18947 N7 G B 938 -880.066 -48.212 21.918 1.00853.20 N ATOM 18948 C5 G B 938 -879.805 -49.561 22.093 1.00853.20 C ATOM 18949 C6 G B 938 -878.896 -50.212 22.965 1.00853.20 C ATOM 18950 O6 G B 938 -878.113 -49.706 23.779 1.00853.20 O ATOM 18951 N1 G B 938 -878.952 -51.595 22.824 1.00853.20 N ATOM 18952 C2 G B 938 -879.775 -52.267 21.954 1.00853.20 C ATOM 18953 N2 G B 938 -879.679 -53.606 21.975 1.00853.20 N ATOM 18954 N3 G B 938 -880.625 -51.672 21.129 1.00853.20 N ATOM 18955 C4 G B 938 -880.590 -50.328 21.253 1.00853.20 C ATOM 18956 P C B 939 -886.999 -48.921 20.989 1.00853.20 P ATOM 18957 O1P C B 939 -887.737 -47.810 20.339 1.00853.20 O ATOM 18958 O2P C B 939 -886.321 -48.690 22.292 1.00853.20 O ATOM 18959 O5* C B 939 -888.001 -50.147 21.154 1.00853.20 O ATOM 18960 C5* C B 939 -888.641 -50.402 22.396 1.00853.20 C ATOM 18961 C4* C B 939 -887.847 -51.416 23.184 1.00853.20 C ATOM 18962 O4* C B 939 -886.635 -50.792 23.670 1.00853.20 O ATOM 18963 C3* C B 939 -888.527 -51.950 24.428 1.00853.20 C ATOM 18964 O3* C B 939 -889.418 -53.013 24.118 1.00853.20 O ATOM 18965 C2* C B 939 -887.349 -52.379 25.290 1.00853.20 C ATOM 18966 O2* C B 939 -886.860 -53.660 24.945 1.00853.20 O ATOM 18967 C1* C B 939 -886.306 -51.317 24.943 1.00853.20 C ATOM 18968 N1 C B 939 -886.295 -50.191 25.891 1.00853.20 N ATOM 18969 C2 C B 939 -885.202 -50.029 26.744 1.00853.20 C ATOM 18970 O2 C B 939 -884.267 -50.840 26.684 1.00853.20 O ATOM 18971 N3 C B 939 -885.194 -48.992 27.615 1.00853.20 N ATOM 18972 C4 C B 939 -886.224 -48.141 27.652 1.00853.20 C ATOM 18973 N4 C B 939 -886.173 -47.134 28.527 1.00853.20 N ATOM 18974 C5 C B 939 -887.349 -48.285 26.790 1.00853.20 C ATOM 18975 C6 C B 939 -887.343 -49.311 25.936 1.00853.20 C ATOM 18976 P G B 940 -890.613 -53.366 25.131 1.00853.20 P ATOM 18977 O1P G B 940 -890.882 -54.822 25.031 1.00853.20 O ATOM 18978 O2P G B 940 -891.715 -52.397 24.898 1.00853.20 O ATOM 18979 O5* G B 940 -889.996 -53.071 26.569 1.00853.20 O ATOM 18980 C5* G B 940 -890.324 -53.885 27.692 1.00853.20 C ATOM 18981 C4* G B 940 -889.448 -55.111 27.705 1.00853.20 C ATOM 18982 O4* G B 940 -888.269 -54.869 26.893 1.00853.20 O ATOM 18983 C3* G B 940 -888.903 -55.542 29.053 1.00853.20 C ATOM 18984 O3* G B 940 -889.841 -56.307 29.798 1.00853.20 O ATOM 18985 C2* G B 940 -887.637 -56.297 28.691 1.00853.20 C ATOM 18986 O2* G B 940 -887.880 -57.641 28.352 1.00853.20 O ATOM 18987 C1* G B 940 -887.144 -55.503 27.480 1.00853.20 C ATOM 18988 N9 G B 940 -886.206 -54.465 27.884 1.00853.20 N ATOM 18989 C8 G B 940 -886.525 -53.233 28.400 1.00853.20 C ATOM 18990 N7 G B 940 -885.478 -52.517 28.706 1.00853.20 N ATOM 18991 C5 G B 940 -884.400 -53.325 28.368 1.00853.20 C ATOM 18992 C6 G B 940 -883.009 -53.087 28.483 1.00853.20 C ATOM 18993 O6 G B 940 -882.428 -52.087 28.924 1.00853.20 O ATOM 18994 N1 G B 940 -882.268 -54.169 28.015 1.00853.20 N ATOM 18995 C2 G B 940 -882.795 -55.329 27.507 1.00853.20 C ATOM 18996 N2 G B 940 -881.914 -56.254 27.106 1.00853.20 N ATOM 18997 N3 G B 940 -884.094 -55.566 27.402 1.00853.20 N ATOM 18998 C4 G B 940 -884.833 -54.526 27.850 1.00853.20 C ATOM 18999 P U B 941 -889.354 -57.103 31.109 1.00853.20 P ATOM 19000 O1P U B 941 -888.137 -56.413 31.612 1.00853.20 O ATOM 19001 O2P U B 941 -889.288 -58.547 30.772 1.00853.20 O ATOM 19002 O5* U B 941 -890.524 -56.904 32.182 1.00853.20 O ATOM 19003 C5* U B 941 -890.853 -55.612 32.698 1.00853.20 C ATOM 19004 C4* U B 941 -890.113 -55.362 33.987 1.00853.20 C ATOM 19005 O4* U B 941 -888.679 -55.409 33.775 1.00853.20 O ATOM 19006 C3* U B 941 -890.403 -54.018 34.620 1.00853.20 C ATOM 19007 O3* U B 941 -891.532 -54.104 35.476 1.00853.20 O ATOM 19008 C2* U B 941 -889.126 -53.725 35.391 1.00853.20 C ATOM 19009 O2* U B 941 -889.146 -54.363 36.647 1.00853.20 O ATOM 19010 C1* U B 941 -888.060 -54.357 34.493 1.00853.20 C ATOM 19011 N1 U B 941 -887.502 -53.402 33.525 1.00853.20 N ATOM 19012 C2 U B 941 -886.346 -52.728 33.871 1.00853.20 C ATOM 19013 O2 U B 941 -885.779 -52.896 34.938 1.00853.20 O ATOM 19014 N3 U B 941 -885.880 -51.849 32.926 1.00853.20 N ATOM 19015 C4 U B 941 -886.442 -51.581 31.691 1.00853.20 C ATOM 19016 O4 U B 941 -885.907 -50.753 30.954 1.00853.20 O ATOM 19017 C5 U B 941 -887.632 -52.318 31.410 1.00853.20 C ATOM 19018 C6 U B 941 -888.110 -53.180 32.310 1.00853.20 C ATOM 19019 P U B 942 -892.353 -52.771 35.834 1.00853.20 P ATOM 19020 O1P U B 942 -893.342 -53.121 36.885 1.00853.20 O ATOM 19021 O2P U B 942 -892.821 -52.166 34.559 1.00853.20 O ATOM 19022 O5* U B 942 -891.256 -51.806 36.470 1.00853.20 O ATOM 19023 C5* U B 942 -891.097 -51.726 37.882 1.00853.20 C ATOM 19024 C4* U B 942 -889.804 -51.026 38.233 1.00853.20 C ATOM 19025 O4* U B 942 -888.830 -51.245 37.178 1.00853.20 O ATOM 19026 C3* U B 942 -889.772 -49.508 38.339 1.00853.20 C ATOM 19027 O3* U B 942 -890.285 -49.098 39.604 1.00853.20 O ATOM 19028 C2* U B 942 -888.294 -49.162 38.185 1.00853.20 C ATOM 19029 O2* U B 942 -887.591 -49.229 39.411 1.00853.20 O ATOM 19030 C1* U B 942 -887.800 -50.277 37.268 1.00853.20 C ATOM 19031 N1 U B 942 -887.492 -49.782 35.916 1.00853.20 N ATOM 19032 C2 U B 942 -886.164 -49.539 35.619 1.00853.20 C ATOM 19033 O2 U B 942 -885.260 -49.736 36.412 1.00853.20 O ATOM 19034 N3 U B 942 -885.933 -49.050 34.355 1.00853.20 N ATOM 19035 C4 U B 942 -886.875 -48.795 33.381 1.00853.20 C ATOM 19036 O4 U B 942 -886.509 -48.332 32.297 1.00853.20 O ATOM 19037 C5 U B 942 -888.225 -49.085 33.761 1.00853.20 C ATOM 19038 C6 U B 942 -888.477 -49.558 34.988 1.00853.20 C ATOM 19039 P U B 943 -890.863 -47.604 39.781 1.00853.20 P ATOM 19040 O1P U B 943 -890.963 -47.337 41.240 1.00853.20 O ATOM 19041 O2P U B 943 -892.073 -47.474 38.929 1.00853.20 O ATOM 19042 O5* U B 943 -889.730 -46.665 39.174 1.00853.20 O ATOM 19043 C5* U B 943 -888.656 -46.204 39.991 1.00853.20 C ATOM 19044 C4* U B 943 -887.543 -45.652 39.134 1.00853.20 C ATOM 19045 O4* U B 943 -888.062 -44.584 38.303 1.00853.20 O ATOM 19046 C3* U B 943 -886.336 -45.039 39.843 1.00853.20 C ATOM 19047 O3* U B 943 -885.378 -46.037 40.169 1.00853.20 O ATOM 19048 C2* U B 943 -885.776 -44.091 38.790 1.00853.20 C ATOM 19049 O2* U B 943 -884.938 -44.749 37.866 1.00853.20 O ATOM 19050 C1* U B 943 -887.040 -43.633 38.059 1.00853.20 C ATOM 19051 N1 U B 943 -887.519 -42.302 38.460 1.00853.20 N ATOM 19052 C2 U B 943 -886.902 -41.208 37.887 1.00853.20 C ATOM 19053 O2 U B 943 -885.991 -41.309 37.077 1.00853.20 O ATOM 19054 N3 U B 943 -887.385 -39.990 38.288 1.00853.20 N ATOM 19055 C4 U B 943 -888.400 -39.759 39.191 1.00853.20 C ATOM 19056 O4 U B 943 -888.728 -38.598 39.449 1.00853.20 O ATOM 19057 C5 U B 943 -888.986 -40.942 39.747 1.00853.20 C ATOM 19058 C6 U B 943 -888.535 -42.145 39.369 1.00853.20 C ATOM 19059 P A B 944 -884.147 -45.689 41.138 1.00853.20 P ATOM 19060 O1P A B 944 -884.347 -46.439 42.402 1.00853.20 O ATOM 19061 O2P A B 944 -883.986 -44.212 41.174 1.00853.20 O ATOM 19062 O5* A B 944 -882.892 -46.315 40.381 1.00853.20 O ATOM 19063 C5* A B 944 -881.884 -45.480 39.819 1.00853.20 C ATOM 19064 C4* A B 944 -881.431 -46.030 38.485 1.00853.20 C ATOM 19065 O4* A B 944 -882.586 -46.217 37.622 1.00853.20 O ATOM 19066 C3* A B 944 -880.527 -45.114 37.692 1.00853.20 C ATOM 19067 O3* A B 944 -879.170 -45.198 38.099 1.00853.20 O ATOM 19068 C2* A B 944 -880.746 -45.579 36.256 1.00853.20 C ATOM 19069 O2* A B 944 -879.979 -46.722 35.929 1.00853.20 O ATOM 19070 C1* A B 944 -882.230 -45.937 36.278 1.00853.20 C ATOM 19071 N9 A B 944 -883.052 -44.816 35.821 1.00853.20 N ATOM 19072 C8 A B 944 -882.928 -43.498 36.183 1.00853.20 C ATOM 19073 N7 A B 944 -883.790 -42.705 35.597 1.00853.20 N ATOM 19074 C5 A B 944 -884.535 -43.559 34.794 1.00853.20 C ATOM 19075 C6 A B 944 -885.608 -43.333 33.916 1.00853.20 C ATOM 19076 N6 A B 944 -886.138 -42.128 33.692 1.00853.20 N ATOM 19077 N1 A B 944 -886.124 -44.399 33.266 1.00853.20 N ATOM 19078 C2 A B 944 -885.588 -45.605 33.494 1.00853.20 C ATOM 19079 N3 A B 944 -884.580 -45.946 34.295 1.00853.20 N ATOM 19080 C4 A B 944 -884.094 -44.862 34.926 1.00853.20 C ATOM 19081 P G B 945 -878.349 -43.846 38.381 1.00853.20 P ATOM 19082 O1P G B 945 -876.911 -44.203 38.503 1.00853.20 O ATOM 19083 O2P G B 945 -879.022 -43.122 39.489 1.00853.20 O ATOM 19084 O5* G B 945 -878.542 -43.002 37.048 1.00853.20 O ATOM 19085 C5* G B 945 -877.658 -43.159 35.941 1.00853.20 C ATOM 19086 C4* G B 945 -877.638 -41.901 35.109 1.00853.20 C ATOM 19087 O4* G B 945 -878.849 -41.827 34.311 1.00853.20 O ATOM 19088 C3* G B 945 -877.627 -40.573 35.831 1.00853.20 C ATOM 19089 O3* G B 945 -876.337 -40.243 36.322 1.00853.20 O ATOM 19090 C2* G B 945 -878.143 -39.603 34.778 1.00853.20 C ATOM 19091 O2* G B 945 -877.135 -39.184 33.881 1.00853.20 O ATOM 19092 C1* G B 945 -879.161 -40.474 34.036 1.00853.20 C ATOM 19093 N9 G B 945 -880.524 -40.233 34.496 1.00853.20 N ATOM 19094 C8 G B 945 -880.910 -39.794 35.740 1.00853.20 C ATOM 19095 N7 G B 945 -882.202 -39.646 35.855 1.00853.20 N ATOM 19096 C5 G B 945 -882.701 -40.017 34.612 1.00853.20 C ATOM 19097 C6 G B 945 -884.037 -40.055 34.139 1.00853.20 C ATOM 19098 O6 G B 945 -885.079 -39.761 34.737 1.00853.20 O ATOM 19099 N1 G B 945 -884.096 -40.494 32.818 1.00853.20 N ATOM 19100 C2 G B 945 -883.009 -40.844 32.053 1.00853.20 C ATOM 19101 N2 G B 945 -883.274 -41.241 30.800 1.00853.20 N ATOM 19102 N3 G B 945 -881.759 -40.807 32.485 1.00853.20 N ATOM 19103 C4 G B 945 -881.679 -40.389 33.766 1.00853.20 C ATOM 19104 P U B 946 -876.205 -39.402 37.687 1.00853.20 P ATOM 19105 O1P U B 946 -874.851 -38.790 37.709 1.00853.20 O ATOM 19106 O2P U B 946 -876.637 -40.271 38.809 1.00853.20 O ATOM 19107 O5* U B 946 -877.280 -38.240 37.514 1.00853.20 O ATOM 19108 C5* U B 946 -877.012 -37.121 36.678 1.00853.20 C ATOM 19109 C4* U B 946 -877.975 -35.998 36.977 1.00853.20 C ATOM 19110 O4* U B 946 -879.321 -36.401 36.613 1.00853.20 O ATOM 19111 C3* U B 946 -878.097 -35.632 38.450 1.00853.20 C ATOM 19112 O3* U B 946 -877.067 -34.738 38.860 1.00853.20 O ATOM 19113 C2* U B 946 -879.474 -34.981 38.525 1.00853.20 C ATOM 19114 O2* U B 946 -879.448 -33.614 38.167 1.00853.20 O ATOM 19115 C1* U B 946 -880.253 -35.764 37.469 1.00853.20 C ATOM 19116 N1 U B 946 -881.147 -36.793 38.030 1.00853.20 N ATOM 19117 C2 U B 946 -882.508 -36.573 37.949 1.00853.20 C ATOM 19118 O2 U B 946 -882.991 -35.573 37.440 1.00853.20 O ATOM 19119 N3 U B 946 -883.289 -37.570 38.481 1.00853.20 N ATOM 19120 C4 U B 946 -882.854 -38.734 39.075 1.00853.20 C ATOM 19121 O4 U B 946 -883.679 -39.545 39.505 1.00853.20 O ATOM 19122 C5 U B 946 -881.432 -38.884 39.124 1.00853.20 C ATOM 19123 C6 U B 946 -880.646 -37.934 38.614 1.00853.20 C ATOM 19124 P C B 947 -875.217 -35.134 42.218 1.00855.43 P ATOM 19125 O1P C B 947 -873.952 -35.678 41.663 1.00855.43 O ATOM 19126 O2P C B 947 -876.004 -35.946 43.180 1.00855.43 O ATOM 19127 O5* C B 947 -874.894 -33.727 42.892 1.00855.43 O ATOM 19128 C5* C B 947 -874.624 -32.585 42.090 1.00855.43 C ATOM 19129 C4* C B 947 -875.744 -31.581 42.222 1.00855.43 C ATOM 19130 O4* C B 947 -877.004 -32.185 41.834 1.00855.43 O ATOM 19131 C3* C B 947 -875.983 -31.078 43.624 1.00855.43 C ATOM 19132 O3* C B 947 -875.093 -30.010 43.915 1.00855.43 O ATOM 19133 C2* C B 947 -877.438 -30.626 43.585 1.00855.43 C ATOM 19134 O2* C B 947 -877.587 -29.324 43.058 1.00855.43 O ATOM 19135 C1* C B 947 -878.052 -31.641 42.621 1.00855.43 C ATOM 19136 N1 C B 947 -878.726 -32.744 43.324 1.00855.43 N ATOM 19137 C2 C B 947 -880.118 -32.705 43.454 1.00855.43 C ATOM 19138 O2 C B 947 -880.740 -31.745 42.972 1.00855.43 O ATOM 19139 N3 C B 947 -880.748 -33.711 44.109 1.00855.43 N ATOM 19140 C4 C B 947 -880.039 -34.718 44.618 1.00855.43 C ATOM 19141 N4 C B 947 -880.701 -35.688 45.259 1.00855.43 N ATOM 19142 C5 C B 947 -878.622 -34.783 44.493 1.00855.43 C ATOM 19143 C6 C B 947 -878.012 -33.785 43.845 1.00855.43 C ATOM 19144 P C B 948 -874.584 -29.795 45.425 1.00855.43 P ATOM 19145 O1P C B 948 -873.514 -28.766 45.392 1.00855.43 O ATOM 19146 O2P C B 948 -874.298 -31.126 46.014 1.00855.43 O ATOM 19147 O5* C B 948 -875.852 -29.178 46.160 1.00855.43 O ATOM 19148 C5* C B 948 -876.079 -27.774 46.156 1.00855.43 C ATOM 19149 C4* C B 948 -877.184 -27.404 47.120 1.00855.43 C ATOM 19150 O4* C B 948 -878.466 -27.841 46.597 1.00855.43 O ATOM 19151 C3* C B 948 -877.094 -28.057 48.495 1.00855.43 C ATOM 19152 O3* C B 948 -876.215 -27.407 49.405 1.00855.43 O ATOM 19153 C2* C B 948 -878.540 -27.999 48.977 1.00855.43 C ATOM 19154 O2* C B 948 -878.879 -26.739 49.520 1.00855.43 O ATOM 19155 C1* C B 948 -879.314 -28.213 47.673 1.00855.43 C ATOM 19156 N1 C B 948 -879.729 -29.614 47.493 1.00855.43 N ATOM 19157 C2 C B 948 -880.936 -30.031 48.060 1.00855.43 C ATOM 19158 O2 C B 948 -881.631 -29.206 48.669 1.00855.43 O ATOM 19159 N3 C B 948 -881.318 -31.324 47.933 1.00855.43 N ATOM 19160 C4 C B 948 -880.542 -32.184 47.268 1.00855.43 C ATOM 19161 N4 C B 948 -880.957 -33.449 47.172 1.00855.43 N ATOM 19162 C5 C B 948 -879.311 -31.782 46.671 1.00855.43 C ATOM 19163 C6 C B 948 -878.945 -30.500 46.807 1.00855.43 C ATOM 19164 P G B 949 -875.520 -28.255 50.582 1.00855.43 P ATOM 19165 O1P G B 949 -874.462 -27.394 51.166 1.00855.43 O ATOM 19166 O2P G B 949 -875.165 -29.593 50.045 1.00855.43 O ATOM 19167 O5* G B 949 -876.670 -28.433 51.674 1.00855.43 O ATOM 19168 C5* G B 949 -877.324 -27.290 52.216 1.00855.43 C ATOM 19169 C4* G B 949 -878.687 -27.651 52.771 1.00855.43 C ATOM 19170 O4* G B 949 -879.459 -28.366 51.767 1.00855.43 O ATOM 19171 C3* G B 949 -878.733 -28.556 53.996 1.00855.43 C ATOM 19172 O3* G B 949 -878.538 -27.873 55.232 1.00855.43 O ATOM 19173 C2* G B 949 -880.143 -29.122 53.917 1.00855.43 C ATOM 19174 O2* G B 949 -881.116 -28.233 54.433 1.00855.43 O ATOM 19175 C1* G B 949 -880.333 -29.279 52.410 1.00855.43 C ATOM 19176 N9 G B 949 -879.991 -30.644 52.019 1.00855.43 N ATOM 19177 C8 G B 949 -878.961 -31.069 51.217 1.00855.43 C ATOM 19178 N7 G B 949 -878.887 -32.372 51.130 1.00855.43 N ATOM 19179 C5 G B 949 -879.942 -32.829 51.913 1.00855.43 C ATOM 19180 C6 G B 949 -880.367 -34.153 52.214 1.00855.43 C ATOM 19181 O6 G B 949 -879.874 -35.229 51.851 1.00855.43 O ATOM 19182 N1 G B 949 -881.488 -34.152 53.039 1.00855.43 N ATOM 19183 C2 G B 949 -882.118 -33.030 53.518 1.00855.43 C ATOM 19184 N2 G B 949 -883.192 -33.237 54.290 1.00855.43 N ATOM 19185 N3 G B 949 -881.725 -31.799 53.252 1.00855.43 N ATOM 19186 C4 G B 949 -880.641 -31.772 52.451 1.00855.43 C ATOM 19187 P G B 950 -878.660 -28.693 56.612 1.00855.43 P ATOM 19188 O1P G B 950 -877.872 -27.958 57.634 1.00855.43 O ATOM 19189 O2P G B 950 -878.351 -30.117 56.329 1.00855.43 O ATOM 19190 O5* G B 950 -880.204 -28.594 57.003 1.00855.43 O ATOM 19191 C5* G B 950 -880.613 -27.926 58.195 1.00855.43 C ATOM 19192 C4* G B 950 -881.040 -28.925 59.252 1.00855.43 C ATOM 19193 O4* G B 950 -882.064 -29.807 58.724 1.00855.43 O ATOM 19194 C3* G B 950 -879.934 -29.845 59.692 1.00855.43 C ATOM 19195 O3* G B 950 -879.183 -29.247 60.738 1.00855.43 O ATOM 19196 C2* G B 950 -880.687 -31.073 60.193 1.00855.43 C ATOM 19197 O2* G B 950 -881.146 -30.920 61.521 1.00855.43 O ATOM 19198 C1* G B 950 -881.879 -31.119 59.235 1.00855.43 C ATOM 19199 N9 G B 950 -881.607 -32.025 58.121 1.00855.43 N ATOM 19200 C8 G B 950 -880.762 -31.802 57.065 1.00855.43 C ATOM 19201 N7 G B 950 -880.679 -32.819 56.249 1.00855.43 N ATOM 19202 C5 G B 950 -881.530 -33.772 56.796 1.00855.43 C ATOM 19203 C6 G B 950 -881.847 -35.090 56.351 1.00855.43 C ATOM 19204 O6 G B 950 -881.420 -35.697 55.355 1.00855.43 O ATOM 19205 N1 G B 950 -882.761 -35.712 57.197 1.00855.43 N ATOM 19206 C2 G B 950 -883.303 -35.134 58.329 1.00855.43 C ATOM 19207 N2 G B 950 -884.182 -35.881 59.015 1.00855.43 N ATOM 19208 N3 G B 950 -883.012 -33.913 58.754 1.00855.43 N ATOM 19209 C4 G B 950 -882.123 -33.292 57.945 1.00855.43 C ATOM 19210 P G B 951 -877.664 -29.721 60.995 1.00855.43 P ATOM 19211 O1P G B 951 -877.236 -29.136 62.289 1.00855.43 O ATOM 19212 O2P G B 951 -876.876 -29.444 59.769 1.00855.43 O ATOM 19213 O5* G B 951 -877.770 -31.303 61.176 1.00855.43 O ATOM 19214 C5* G B 951 -877.786 -31.884 62.476 1.00855.43 C ATOM 19215 C4* G B 951 -878.516 -33.212 62.471 1.00855.43 C ATOM 19216 O4* G B 951 -879.411 -33.294 61.332 1.00855.43 O ATOM 19217 C3* G B 951 -877.636 -34.438 62.359 1.00855.43 C ATOM 19218 O3* G B 951 -877.166 -34.814 63.653 1.00855.43 O ATOM 19219 C2* G B 951 -878.593 -35.484 61.796 1.00855.43 C ATOM 19220 O2* G B 951 -879.376 -36.102 62.797 1.00855.43 O ATOM 19221 C1* G B 951 -879.493 -34.640 60.892 1.00855.43 C ATOM 19222 N9 G B 951 -879.071 -34.719 59.495 1.00855.43 N ATOM 19223 C8 G B 951 -878.424 -33.751 58.764 1.00855.43 C ATOM 19224 N7 G B 951 -878.150 -34.130 57.546 1.00855.43 N ATOM 19225 C5 G B 951 -878.650 -35.423 57.463 1.00855.43 C ATOM 19226 C6 G B 951 -878.644 -36.348 56.386 1.00855.43 C ATOM 19227 O6 G B 951 -878.183 -36.209 55.249 1.00855.43 O ATOM 19228 N1 G B 951 -879.263 -37.545 56.736 1.00855.43 N ATOM 19229 C2 G B 951 -879.812 -37.822 57.960 1.00855.43 C ATOM 19230 N2 G B 951 -880.361 -39.040 58.099 1.00855.43 N ATOM 19231 N3 G B 951 -879.824 -36.969 58.977 1.00855.43 N ATOM 19232 C4 G B 951 -879.229 -35.798 58.658 1.00855.43 C ATOM 19233 P A B 952 -875.588 -34.796 63.969 1.00855.43 P ATOM 19234 O1P A B 952 -875.437 -34.561 65.424 1.00855.43 O ATOM 19235 O2P A B 952 -874.927 -33.878 63.003 1.00855.43 O ATOM 19236 O5* A B 952 -875.081 -36.280 63.681 1.00855.43 O ATOM 19237 C5* A B 952 -875.232 -36.881 62.399 1.00855.43 C ATOM 19238 C4* A B 952 -875.563 -38.346 62.551 1.00855.43 C ATOM 19239 O4* A B 952 -875.980 -38.901 61.281 1.00855.43 O ATOM 19240 C3* A B 952 -874.432 -39.244 63.016 1.00855.43 C ATOM 19241 O3* A B 952 -874.260 -39.213 64.428 1.00855.43 O ATOM 19242 C2* A B 952 -874.868 -40.616 62.512 1.00855.43 C ATOM 19243 O2* A B 952 -875.782 -41.249 63.386 1.00855.43 O ATOM 19244 C1* A B 952 -875.581 -40.256 61.202 1.00855.43 C ATOM 19245 N9 A B 952 -874.723 -40.410 60.029 1.00855.43 N ATOM 19246 C8 A B 952 -873.505 -39.823 59.797 1.00855.43 C ATOM 19247 N7 A B 952 -872.967 -40.158 58.652 1.00855.43 N ATOM 19248 C5 A B 952 -873.893 -41.026 58.090 1.00855.43 C ATOM 19249 C6 A B 952 -873.913 -41.729 56.874 1.00855.43 C ATOM 19250 N6 A B 952 -872.934 -41.672 55.968 1.00855.43 N ATOM 19251 N1 A B 952 -874.988 -42.506 56.615 1.00855.43 N ATOM 19252 C2 A B 952 -875.969 -42.565 57.524 1.00855.43 C ATOM 19253 N3 A B 952 -876.066 -41.950 58.703 1.00855.43 N ATOM 19254 C4 A B 952 -874.982 -41.189 58.927 1.00855.43 C ATOM 19255 P G B 953 -872.781 -39.302 65.052 1.00855.43 P ATOM 19256 O1P G B 953 -872.888 -39.000 66.502 1.00855.43 O ATOM 19257 O2P G B 953 -871.868 -38.501 64.200 1.00855.43 O ATOM 19258 O5* G B 953 -872.390 -40.840 64.893 1.00855.43 O ATOM 19259 C5* G B 953 -873.313 -41.867 65.244 1.00855.43 C ATOM 19260 C4* G B 953 -872.939 -43.164 64.564 1.00855.43 C ATOM 19261 O4* G B 953 -873.185 -43.043 63.139 1.00855.43 O ATOM 19262 C3* G B 953 -871.472 -43.451 64.678 1.00855.43 C ATOM 19263 O3* G B 953 -871.239 -44.195 65.871 1.00855.43 O ATOM 19264 C2* G B 953 -871.171 -44.280 63.434 1.00855.43 C ATOM 19265 O2* G B 953 -871.456 -45.652 63.614 1.00855.43 O ATOM 19266 C1* G B 953 -872.149 -43.682 62.420 1.00855.43 C ATOM 19267 N9 G B 953 -871.511 -42.691 61.560 1.00855.43 N ATOM 19268 C8 G B 953 -871.167 -41.402 61.884 1.00855.43 C ATOM 19269 N7 G B 953 -870.583 -40.764 60.904 1.00855.43 N ATOM 19270 C5 G B 953 -870.540 -41.689 59.870 1.00855.43 C ATOM 19271 C6 G B 953 -870.015 -41.577 58.559 1.00855.43 C ATOM 19272 O6 G B 953 -869.461 -40.606 58.027 1.00855.43 O ATOM 19273 N1 G B 953 -870.181 -42.756 57.840 1.00855.43 N ATOM 19274 C2 G B 953 -870.776 -43.897 58.320 1.00855.43 C ATOM 19275 N2 G B 953 -870.845 -44.932 57.473 1.00855.43 N ATOM 19276 N3 G B 953 -871.265 -44.015 59.544 1.00855.43 N ATOM 19277 C4 G B 953 -871.113 -42.881 60.257 1.00855.43 C ATOM 19278 P U B 954 -871.044 -43.419 67.268 1.00855.43 P ATOM 19279 O1P U B 954 -872.075 -43.933 68.203 1.00855.43 O ATOM 19280 O2P U B 954 -870.968 -41.963 66.987 1.00855.43 O ATOM 19281 O5* U B 954 -869.618 -43.902 67.795 1.00855.43 O ATOM 19282 C5* U B 954 -869.252 -45.281 67.761 1.00855.43 C ATOM 19283 C4* U B 954 -868.292 -45.543 66.620 1.00855.43 C ATOM 19284 O4* U B 954 -868.870 -45.026 65.394 1.00855.43 O ATOM 19285 C3* U B 954 -866.957 -44.841 66.737 1.00855.43 C ATOM 19286 O3* U B 954 -866.045 -45.630 67.484 1.00855.43 O ATOM 19287 C2* U B 954 -866.515 -44.697 65.286 1.00855.43 C ATOM 19288 O2* U B 954 -865.892 -45.865 64.791 1.00855.43 O ATOM 19289 C1* U B 954 -867.847 -44.478 64.574 1.00855.43 C ATOM 19290 N1 U B 954 -868.127 -43.049 64.387 1.00855.43 N ATOM 19291 C2 U B 954 -868.145 -42.563 63.095 1.00855.43 C ATOM 19292 O2 U B 954 -867.969 -43.275 62.120 1.00855.43 O ATOM 19293 N3 U B 954 -868.383 -41.217 62.988 1.00855.43 N ATOM 19294 C4 U B 954 -868.599 -40.328 64.020 1.00855.43 C ATOM 19295 O4 U B 954 -868.784 -39.136 63.765 1.00855.43 O ATOM 19296 C5 U B 954 -868.575 -40.910 65.326 1.00855.43 C ATOM 19297 C6 U B 954 -868.348 -42.219 65.461 1.00855.43 C ATOM 19298 P G B 955 -864.532 -45.123 67.676 1.00855.43 P ATOM 19299 O1P G B 955 -864.046 -45.644 68.977 1.00855.43 O ATOM 19300 O2P G B 955 -864.505 -43.664 67.412 1.00855.43 O ATOM 19301 O5* G B 955 -863.716 -45.849 66.512 1.00855.43 O ATOM 19302 C5* G B 955 -862.559 -45.229 65.955 1.00855.43 C ATOM 19303 C4* G B 955 -862.262 -45.790 64.583 1.00855.43 C ATOM 19304 O4* G B 955 -863.374 -45.514 63.694 1.00855.43 O ATOM 19305 C3* G B 955 -861.048 -45.244 63.856 1.00855.43 C ATOM 19306 O3* G B 955 -859.870 -45.895 64.304 1.00855.43 O ATOM 19307 C2* G B 955 -861.381 -45.517 62.396 1.00855.43 C ATOM 19308 O2* G B 955 -861.086 -46.841 62.001 1.00855.43 O ATOM 19309 C1* G B 955 -862.892 -45.279 62.383 1.00855.43 C ATOM 19310 N9 G B 955 -863.224 -43.897 62.056 1.00855.43 N ATOM 19311 C8 G B 955 -864.158 -43.114 62.688 1.00855.43 C ATOM 19312 N7 G B 955 -864.237 -41.912 62.191 1.00855.43 N ATOM 19313 C5 G B 955 -863.300 -41.898 61.170 1.00855.43 C ATOM 19314 C6 G B 955 -862.938 -40.866 60.275 1.00855.43 C ATOM 19315 O6 G B 955 -863.386 -39.714 60.202 1.00855.43 O ATOM 19316 N1 G B 955 -861.942 -41.276 59.397 1.00855.43 N ATOM 19317 C2 G B 955 -861.371 -42.523 59.380 1.00855.43 C ATOM 19318 N2 G B 955 -860.428 -42.728 58.450 1.00855.43 N ATOM 19319 N3 G B 955 -861.700 -43.498 60.210 1.00855.43 N ATOM 19320 C4 G B 955 -862.664 -43.117 61.071 1.00855.43 C ATOM 19321 P A B 956 -858.439 -45.354 63.816 1.00855.43 P ATOM 19322 O1P A B 956 -857.765 -44.745 64.992 1.00855.43 O ATOM 19323 O2P A B 956 -858.630 -44.554 62.583 1.00855.43 O ATOM 19324 O5* A B 956 -857.651 -46.685 63.430 1.00855.43 O ATOM 19325 C5* A B 956 -858.363 -47.842 63.010 1.00855.43 C ATOM 19326 C4* A B 956 -858.291 -48.899 64.081 1.00855.43 C ATOM 19327 O4* A B 956 -859.020 -48.464 65.255 1.00855.43 O ATOM 19328 C3* A B 956 -858.838 -50.283 63.751 1.00855.43 C ATOM 19329 O3* A B 956 -857.798 -50.989 63.079 1.00855.43 O ATOM 19330 C2* A B 956 -859.155 -50.848 65.134 1.00855.43 C ATOM 19331 O2* A B 956 -858.014 -51.399 65.762 1.00855.43 O ATOM 19332 C1* A B 956 -859.580 -49.592 65.903 1.00855.43 C ATOM 19333 N9 A B 956 -861.023 -49.392 66.021 1.00855.43 N ATOM 19334 C8 A B 956 -861.914 -49.099 65.019 1.00855.43 C ATOM 19335 N7 A B 956 -863.146 -48.927 65.434 1.00855.43 N ATOM 19336 C5 A B 956 -863.063 -49.120 66.806 1.00855.43 C ATOM 19337 C6 A B 956 -864.024 -49.065 67.829 1.00855.43 C ATOM 19338 N6 A B 956 -865.311 -48.767 67.621 1.00855.43 N ATOM 19339 N1 A B 956 -863.617 -49.321 69.088 1.00855.43 N ATOM 19340 C2 A B 956 -862.328 -49.608 69.299 1.00855.43 C ATOM 19341 N3 A B 956 -861.328 -49.678 68.426 1.00855.43 N ATOM 19342 C4 A B 956 -861.766 -49.422 67.181 1.00855.43 C ATOM 19343 P G B 957 -857.961 -52.556 62.754 1.00855.43 P ATOM 19344 O1P G B 957 -857.958 -53.285 64.050 1.00855.43 O ATOM 19345 O2P G B 957 -856.962 -52.907 61.716 1.00855.43 O ATOM 19346 O5* G B 957 -859.408 -52.688 62.105 1.00855.43 O ATOM 19347 C5* G B 957 -859.733 -53.816 61.301 1.00855.43 C ATOM 19348 C4* G B 957 -860.495 -54.833 62.108 1.00855.43 C ATOM 19349 O4* G B 957 -861.910 -54.512 62.105 1.00855.43 O ATOM 19350 C3* G B 957 -860.419 -56.272 61.611 1.00855.43 C ATOM 19351 O3* G B 957 -859.242 -56.927 62.060 1.00855.43 O ATOM 19352 C2* G B 957 -861.694 -56.885 62.177 1.00855.43 C ATOM 19353 O2* G B 957 -861.555 -57.304 63.519 1.00855.43 O ATOM 19354 C1* G B 957 -862.670 -55.709 62.108 1.00855.43 C ATOM 19355 N9 G B 957 -863.513 -55.739 60.915 1.00855.43 N ATOM 19356 C8 G B 957 -863.616 -54.779 59.937 1.00855.43 C ATOM 19357 N7 G B 957 -864.451 -55.107 58.986 1.00855.43 N ATOM 19358 C5 G B 957 -864.931 -56.354 59.365 1.00855.43 C ATOM 19359 C6 G B 957 -865.867 -57.219 58.726 1.00855.43 C ATOM 19360 O6 G B 957 -866.475 -57.051 57.664 1.00855.43 O ATOM 19361 N1 G B 957 -866.060 -58.385 59.454 1.00855.43 N ATOM 19362 C2 G B 957 -865.439 -58.690 60.640 1.00855.43 C ATOM 19363 N2 G B 957 -865.761 -59.869 61.188 1.00855.43 N ATOM 19364 N3 G B 957 -864.569 -57.899 61.242 1.00855.43 N ATOM 19365 C4 G B 957 -864.364 -56.755 60.554 1.00855.43 C ATOM 19366 P G B 958 -858.704 -58.220 61.270 1.00855.43 P ATOM 19367 O1P G B 958 -857.632 -58.834 62.096 1.00855.43 O ATOM 19368 O2P G B 958 -858.412 -57.829 59.868 1.00855.43 O ATOM 19369 O5* G B 958 -859.959 -59.200 61.274 1.00855.43 O ATOM 19370 C5* G B 958 -860.144 -60.128 62.336 1.00855.43 C ATOM 19371 C4* G B 958 -860.964 -61.305 61.865 1.00855.43 C ATOM 19372 O4* G B 958 -862.309 -60.895 61.519 1.00855.43 O ATOM 19373 C3* G B 958 -860.446 -62.061 60.637 1.00855.43 C ATOM 19374 O3* G B 958 -859.378 -62.967 60.855 1.00855.43 O ATOM 19375 C2* G B 958 -861.713 -62.742 60.126 1.00855.43 C ATOM 19376 O2* G B 958 -861.992 -63.947 60.808 1.00855.43 O ATOM 19377 C1* G B 958 -862.791 -61.708 60.462 1.00855.43 C ATOM 19378 N9 G B 958 -863.162 -60.848 59.340 1.00855.43 N ATOM 19379 C8 G B 958 -862.547 -59.683 58.949 1.00855.43 C ATOM 19380 N7 G B 958 -863.123 -59.119 57.922 1.00855.43 N ATOM 19381 C5 G B 958 -864.176 -59.969 57.610 1.00855.43 C ATOM 19382 C6 G B 958 -865.156 -59.881 56.588 1.00855.43 C ATOM 19383 O6 G B 958 -865.300 -59.001 55.729 1.00855.43 O ATOM 19384 N1 G B 958 -866.034 -60.960 56.627 1.00855.43 N ATOM 19385 C2 G B 958 -865.978 -61.990 57.534 1.00855.43 C ATOM 19386 N2 G B 958 -866.911 -62.942 57.406 1.00855.43 N ATOM 19387 N3 G B 958 -865.073 -62.081 58.495 1.00855.43 N ATOM 19388 C4 G B 958 -864.210 -61.043 58.473 1.00855.43 C ATOM 19389 P C B 959 -858.472 -63.441 59.619 1.00855.43 P ATOM 19390 O1P C B 959 -857.366 -64.270 60.163 1.00855.43 O ATOM 19391 O2P C B 959 -858.157 -62.253 58.787 1.00855.43 O ATOM 19392 O5* C B 959 -859.446 -64.388 58.789 1.00855.43 O ATOM 19393 C5* C B 959 -859.901 -65.622 59.330 1.00855.43 C ATOM 19394 C4* C B 959 -861.013 -66.178 58.477 1.00855.43 C ATOM 19395 O4* C B 959 -862.072 -65.196 58.345 1.00855.43 O ATOM 19396 C3* C B 959 -860.681 -66.522 57.049 1.00855.43 C ATOM 19397 O3* C B 959 -860.046 -67.795 57.001 1.00855.43 O ATOM 19398 C2* C B 959 -862.040 -66.503 56.358 1.00855.43 C ATOM 19399 O2* C B 959 -862.747 -67.715 56.525 1.00855.43 O ATOM 19400 C1* C B 959 -862.755 -65.382 57.117 1.00855.43 C ATOM 19401 N1 C B 959 -862.730 -64.100 56.391 1.00855.43 N ATOM 19402 C2 C B 959 -863.812 -63.746 55.574 1.00855.43 C ATOM 19403 O2 C B 959 -864.772 -64.524 55.469 1.00855.43 O ATOM 19404 N3 C B 959 -863.780 -62.569 54.911 1.00855.43 N ATOM 19405 C4 C B 959 -862.728 -61.758 55.042 1.00855.43 C ATOM 19406 N4 C B 959 -862.742 -60.606 54.374 1.00855.43 N ATOM 19407 C5 C B 959 -861.617 -62.094 55.866 1.00855.43 C ATOM 19408 C6 C B 959 -861.659 -63.261 56.516 1.00855.43 C ATOM 19409 P U B 960 -859.147 -68.179 55.729 1.00855.43 P ATOM 19410 O1P U B 960 -858.422 -69.431 56.052 1.00855.43 O ATOM 19411 O2P U B 960 -858.385 -66.976 55.309 1.00855.43 O ATOM 19412 O5* U B 960 -860.223 -68.509 54.606 1.00855.43 O ATOM 19413 C5* U B 960 -860.636 -69.853 54.378 1.00855.43 C ATOM 19414 C4* U B 960 -861.525 -69.933 53.162 1.00855.43 C ATOM 19415 O4* U B 960 -862.659 -69.038 53.303 1.00855.43 O ATOM 19416 C3* U B 960 -860.864 -69.547 51.847 1.00855.43 C ATOM 19417 O3* U B 960 -860.167 -70.643 51.273 1.00855.43 O ATOM 19418 C2* U B 960 -862.051 -69.105 50.994 1.00855.43 C ATOM 19419 O2* U B 960 -862.717 -70.191 50.381 1.00855.43 O ATOM 19420 C1* U B 960 -862.973 -68.473 52.042 1.00855.43 C ATOM 19421 N1 U B 960 -862.843 -67.013 52.130 1.00855.43 N ATOM 19422 C2 U B 960 -863.728 -66.256 51.387 1.00855.43 C ATOM 19423 O2 U B 960 -864.591 -66.752 50.684 1.00855.43 O ATOM 19424 N3 U B 960 -863.561 -64.897 51.498 1.00855.43 N ATOM 19425 C4 U B 960 -862.626 -64.233 52.260 1.00855.43 C ATOM 19426 O4 U B 960 -862.603 -63.001 52.253 1.00855.43 O ATOM 19427 C5 U B 960 -861.748 -65.088 53.000 1.00855.43 C ATOM 19428 C6 U B 960 -861.884 -66.416 52.915 1.00855.43 C ATOM 19429 P G B 961 -858.930 -70.366 50.284 1.00855.43 P ATOM 19430 O1P G B 961 -858.445 -71.685 49.803 1.00855.43 O ATOM 19431 O2P G B 961 -857.987 -69.437 50.958 1.00855.43 O ATOM 19432 O5* G B 961 -859.598 -69.601 49.057 1.00855.43 O ATOM 19433 C5* G B 961 -860.453 -70.293 48.158 1.00855.43 C ATOM 19434 C4* G B 961 -861.036 -69.341 47.142 1.00855.43 C ATOM 19435 O4* G B 961 -861.774 -68.284 47.812 1.00855.43 O ATOM 19436 C3* G B 961 -860.109 -68.561 46.228 1.00855.43 C ATOM 19437 O3* G B 961 -859.600 -69.363 45.171 1.00855.43 O ATOM 19438 C2* G B 961 -861.003 -67.434 45.727 1.00855.43 C ATOM 19439 O2* G B 961 -861.824 -67.830 44.650 1.00855.43 O ATOM 19440 C1* G B 961 -861.859 -67.151 46.962 1.00855.43 C ATOM 19441 N9 G B 961 -861.358 -65.984 47.681 1.00855.43 N ATOM 19442 C8 G B 961 -860.812 -65.949 48.941 1.00855.43 C ATOM 19443 N7 G B 961 -860.410 -64.759 49.293 1.00855.43 N ATOM 19444 C5 G B 961 -860.717 -63.953 48.205 1.00855.43 C ATOM 19445 C6 G B 961 -860.510 -62.562 47.994 1.00855.43 C ATOM 19446 O6 G B 961 -859.984 -61.733 48.752 1.00855.43 O ATOM 19447 N1 G B 961 -860.980 -62.156 46.749 1.00855.43 N ATOM 19448 C2 G B 961 -861.571 -62.979 45.823 1.00855.43 C ATOM 19449 N2 G B 961 -861.962 -62.398 44.683 1.00855.43 N ATOM 19450 N3 G B 961 -861.764 -64.275 46.002 1.00855.43 N ATOM 19451 C4 G B 961 -861.316 -64.695 47.207 1.00855.43 C ATOM 19452 P C B 962 -858.185 -68.984 44.512 1.00855.43 P ATOM 19453 O1P C B 962 -858.091 -69.667 43.199 1.00855.43 O ATOM 19454 O2P C B 962 -857.131 -69.210 45.535 1.00855.43 O ATOM 19455 O5* C B 962 -858.296 -67.415 44.259 1.00855.43 O ATOM 19456 C5* C B 962 -858.993 -66.907 43.125 1.00855.43 C ATOM 19457 C4* C B 962 -858.562 -65.489 42.843 1.00855.43 C ATOM 19458 O4* C B 962 -858.927 -64.638 43.958 1.00855.43 O ATOM 19459 C3* C B 962 -857.065 -65.240 42.723 1.00855.43 C ATOM 19460 O3* C B 962 -856.584 -65.589 41.429 1.00855.43 O ATOM 19461 C2* C B 962 -856.924 -63.751 43.013 1.00855.43 C ATOM 19462 O2* C B 962 -857.119 -62.952 41.861 1.00855.43 O ATOM 19463 C1* C B 962 -858.071 -63.509 43.999 1.00855.43 C ATOM 19464 N1 C B 962 -857.636 -63.315 45.393 1.00855.43 N ATOM 19465 C2 C B 962 -857.406 -62.017 45.856 1.00855.43 C ATOM 19466 O2 C B 962 -857.565 -61.063 45.077 1.00855.43 O ATOM 19467 N3 C B 962 -857.016 -61.829 47.137 1.00855.43 N ATOM 19468 C4 C B 962 -856.851 -62.881 47.944 1.00855.43 C ATOM 19469 N4 C B 962 -856.469 -62.646 49.203 1.00855.43 N ATOM 19470 C5 C B 962 -857.071 -64.214 47.498 1.00855.43 C ATOM 19471 C6 C B 962 -857.457 -64.387 46.224 1.00855.43 C ATOM 19472 P G B 963 -855.108 -66.199 41.273 1.00855.43 P ATOM 19473 O1P G B 963 -854.788 -66.214 39.822 1.00855.43 O ATOM 19474 O2P G B 963 -855.031 -67.461 42.055 1.00855.43 O ATOM 19475 O5* G B 963 -854.179 -65.113 41.974 1.00855.43 O ATOM 19476 C5* G B 963 -852.943 -65.499 42.564 1.00855.43 C ATOM 19477 C4* G B 963 -852.091 -64.284 42.845 1.00855.43 C ATOM 19478 O4* G B 963 -852.833 -63.302 43.614 1.00855.43 O ATOM 19479 C3* G B 963 -850.823 -64.519 43.638 1.00855.43 C ATOM 19480 O3* G B 963 -849.776 -64.982 42.796 1.00855.43 O ATOM 19481 C2* G B 963 -850.526 -63.138 44.213 1.00855.43 C ATOM 19482 O2* G B 963 -849.821 -62.311 43.307 1.00855.43 O ATOM 19483 C1* G B 963 -851.932 -62.574 44.432 1.00855.43 C ATOM 19484 N9 G B 963 -852.366 -62.657 45.825 1.00855.43 N ATOM 19485 C8 G B 963 -852.724 -63.776 46.536 1.00855.43 C ATOM 19486 N7 G B 963 -853.070 -63.510 47.768 1.00855.43 N ATOM 19487 C5 G B 963 -852.930 -62.133 47.876 1.00855.43 C ATOM 19488 C6 G B 963 -853.160 -61.256 48.975 1.00855.43 C ATOM 19489 O6 G B 963 -853.553 -61.532 50.116 1.00855.43 O ATOM 19490 N1 G B 963 -852.888 -59.935 48.642 1.00855.43 N ATOM 19491 C2 G B 963 -852.450 -59.505 47.413 1.00855.43 C ATOM 19492 N2 G B 963 -852.238 -58.191 47.287 1.00855.43 N ATOM 19493 N3 G B 963 -852.236 -60.304 46.384 1.00855.43 N ATOM 19494 C4 G B 963 -852.493 -61.594 46.683 1.00855.43 C ATOM 19495 P A B 964 -848.378 -65.421 43.453 1.00855.43 P ATOM 19496 O1P A B 964 -847.575 -66.095 42.402 1.00855.43 O ATOM 19497 O2P A B 964 -848.666 -66.131 44.723 1.00855.43 O ATOM 19498 O5* A B 964 -847.685 -64.032 43.804 1.00855.43 O ATOM 19499 C5* A B 964 -847.002 -63.849 45.037 1.00855.43 C ATOM 19500 C4* A B 964 -846.779 -62.379 45.292 1.00855.43 C ATOM 19501 O4* A B 964 -848.049 -61.695 45.457 1.00855.43 O ATOM 19502 C3* A B 964 -845.999 -62.007 46.557 1.00855.43 C ATOM 19503 O3* A B 964 -844.602 -62.113 46.453 1.00855.43 O ATOM 19504 C2* A B 964 -846.429 -60.570 46.793 1.00855.43 C ATOM 19505 O2* A B 964 -845.699 -59.663 45.992 1.00855.43 O ATOM 19506 C1* A B 964 -847.896 -60.622 46.371 1.00855.43 C ATOM 19507 N9 A B 964 -848.743 -60.891 47.530 1.00855.43 N ATOM 19508 C8 A B 964 -849.377 -62.060 47.858 1.00855.43 C ATOM 19509 N7 A B 964 -850.036 -62.005 48.991 1.00855.43 N ATOM 19510 C5 A B 964 -849.825 -60.707 49.432 1.00855.43 C ATOM 19511 C6 A B 964 -850.256 -60.016 50.577 1.00855.43 C ATOM 19512 N6 A B 964 -851.018 -60.560 51.525 1.00855.43 N ATOM 19513 N1 A B 964 -849.872 -58.730 50.714 1.00855.43 N ATOM 19514 C2 A B 964 -849.105 -58.183 49.763 1.00855.43 C ATOM 19515 N3 A B 964 -848.636 -58.730 48.642 1.00855.43 N ATOM 19516 C4 A B 964 -849.036 -60.008 48.539 1.00855.43 C ATOM 19517 P G B 965 -843.727 -62.260 47.779 1.00855.43 P ATOM 19518 O1P G B 965 -842.352 -62.413 47.263 1.00855.43 O ATOM 19519 O2P G B 965 -844.317 -63.329 48.627 1.00855.43 O ATOM 19520 O5* G B 965 -843.921 -60.864 48.532 1.00855.43 O ATOM 19521 C5* G B 965 -843.432 -59.646 47.974 1.00855.43 C ATOM 19522 C4* G B 965 -843.683 -58.486 48.916 1.00855.43 C ATOM 19523 O4* G B 965 -845.110 -58.331 49.143 1.00855.43 O ATOM 19524 C3* G B 965 -843.086 -58.662 50.294 1.00855.43 C ATOM 19525 O3* G B 965 -841.728 -58.230 50.319 1.00855.43 O ATOM 19526 C2* G B 965 -843.974 -57.784 51.166 1.00855.43 C ATOM 19527 O2* G B 965 -843.592 -56.422 51.138 1.00855.43 O ATOM 19528 C1* G B 965 -845.337 -57.947 50.486 1.00855.43 C ATOM 19529 N9 G B 965 -846.149 -58.972 51.134 1.00855.43 N ATOM 19530 C8 G B 965 -846.420 -60.238 50.666 1.00855.43 C ATOM 19531 N7 G B 965 -847.163 -60.937 51.487 1.00855.43 N ATOM 19532 C5 G B 965 -847.399 -60.079 52.553 1.00855.43 C ATOM 19533 C6 G B 965 -848.141 -60.279 53.758 1.00855.43 C ATOM 19534 O6 G B 965 -848.754 -61.283 54.137 1.00855.43 O ATOM 19535 N1 G B 965 -848.120 -59.145 54.560 1.00855.43 N ATOM 19536 C2 G B 965 -847.478 -57.972 54.257 1.00855.43 C ATOM 19537 N2 G B 965 -847.580 -56.991 55.165 1.00855.43 N ATOM 19538 N3 G B 965 -846.785 -57.775 53.147 1.00855.43 N ATOM 19539 C4 G B 965 -846.788 -58.861 52.348 1.00855.43 C ATOM 19540 P A B 966 -840.629 -59.103 51.105 1.00855.43 P ATOM 19541 O1P A B 966 -839.303 -58.497 50.828 1.00855.43 O ATOM 19542 O2P A B 966 -840.853 -60.531 50.797 1.00855.43 O ATOM 19543 O5* A B 966 -840.966 -58.870 52.646 1.00855.43 O ATOM 19544 C5* A B 966 -840.099 -58.093 53.461 1.00855.43 C ATOM 19545 C4* A B 966 -840.199 -58.514 54.910 1.00855.43 C ATOM 19546 O4* A B 966 -841.514 -58.201 55.443 1.00855.43 O ATOM 19547 C3* A B 966 -840.035 -60.000 55.158 1.00855.43 C ATOM 19548 O3* A B 966 -838.665 -60.365 55.237 1.00855.43 O ATOM 19549 C2* A B 966 -840.742 -60.195 56.493 1.00855.43 C ATOM 19550 O2* A B 966 -839.917 -59.870 57.594 1.00855.43 O ATOM 19551 C1* A B 966 -841.885 -59.186 56.392 1.00855.43 C ATOM 19552 N9 A B 966 -843.115 -59.840 55.945 1.00855.43 N ATOM 19553 C8 A B 966 -843.621 -59.946 54.672 1.00855.43 C ATOM 19554 N7 A B 966 -844.732 -60.639 54.604 1.00855.43 N ATOM 19555 C5 A B 966 -844.980 -61.001 55.922 1.00855.43 C ATOM 19556 C6 A B 966 -846.007 -61.749 56.520 1.00855.43 C ATOM 19557 N6 A B 966 -847.023 -62.292 55.841 1.00855.43 N ATOM 19558 N1 A B 966 -845.959 -61.923 57.857 1.00855.43 N ATOM 19559 C2 A B 966 -844.940 -61.382 58.538 1.00855.43 C ATOM 19560 N3 A B 966 -843.915 -60.666 58.088 1.00855.43 N ATOM 19561 C4 A B 966 -843.996 -60.508 56.757 1.00855.43 C ATOM 19562 P G B 967 -838.125 -61.600 54.364 1.00855.43 P ATOM 19563 O1P G B 967 -836.694 -61.805 54.705 1.00855.43 O ATOM 19564 O2P G B 967 -838.517 -61.374 52.948 1.00855.43 O ATOM 19565 O5* G B 967 -838.952 -62.849 54.906 1.00855.43 O ATOM 19566 C5* G B 967 -838.854 -63.265 56.265 1.00855.43 C ATOM 19567 C4* G B 967 -839.809 -64.401 56.536 1.00855.43 C ATOM 19568 O4* G B 967 -841.172 -63.945 56.384 1.00855.43 O ATOM 19569 C3* G B 967 -839.667 -65.557 55.576 1.00855.43 C ATOM 19570 O3* G B 967 -838.673 -66.456 56.052 1.00855.43 O ATOM 19571 C2* G B 967 -841.053 -66.190 55.578 1.00855.43 C ATOM 19572 O2* G B 967 -841.234 -67.106 56.638 1.00855.43 O ATOM 19573 C1* G B 967 -841.954 -64.969 55.797 1.00855.43 C ATOM 19574 N9 G B 967 -842.520 -64.436 54.562 1.00855.43 N ATOM 19575 C8 G B 967 -841.827 -63.860 53.526 1.00855.43 C ATOM 19576 N7 G B 967 -842.598 -63.463 52.553 1.00855.43 N ATOM 19577 C5 G B 967 -843.878 -63.798 52.973 1.00855.43 C ATOM 19578 C6 G B 967 -845.130 -63.612 52.334 1.00855.43 C ATOM 19579 O6 G B 967 -845.367 -63.097 51.239 1.00855.43 O ATOM 19580 N1 G B 967 -846.177 -64.103 53.111 1.00855.43 N ATOM 19581 C2 G B 967 -846.036 -64.690 54.344 1.00855.43 C ATOM 19582 N2 G B 967 -847.167 -65.099 54.935 1.00855.43 N ATOM 19583 N3 G B 967 -844.874 -64.868 54.948 1.00855.43 N ATOM 19584 C4 G B 967 -843.845 -64.403 54.210 1.00855.43 C ATOM 19585 P C B 968 -837.626 -67.111 55.025 1.00855.43 P ATOM 19586 O1P C B 968 -836.296 -66.532 55.351 1.00855.43 O ATOM 19587 O2P C B 968 -838.160 -66.991 53.645 1.00855.43 O ATOM 19588 O5* C B 968 -837.590 -68.650 55.430 1.00855.43 O ATOM 19589 C5* C B 968 -838.686 -69.522 55.161 1.00855.43 C ATOM 19590 C4* C B 968 -838.260 -70.954 55.362 1.00855.43 C ATOM 19591 O4* C B 968 -837.760 -71.108 56.713 1.00855.43 O ATOM 19592 C3* C B 968 -839.362 -71.991 55.234 1.00855.43 C ATOM 19593 O3* C B 968 -839.557 -72.395 53.885 1.00855.43 O ATOM 19594 C2* C B 968 -838.855 -73.132 56.107 1.00855.43 C ATOM 19595 O2* C B 968 -837.943 -73.975 55.429 1.00855.43 O ATOM 19596 C1* C B 968 -838.121 -72.375 57.217 1.00855.43 C ATOM 19597 N1 C B 968 -838.940 -72.149 58.416 1.00855.43 N ATOM 19598 C2 C B 968 -839.331 -73.244 59.188 1.00855.43 C ATOM 19599 O2 C B 968 -838.983 -74.382 58.839 1.00855.43 O ATOM 19600 N3 C B 968 -840.077 -73.035 60.295 1.00855.43 N ATOM 19601 C4 C B 968 -840.428 -71.795 60.642 1.00855.43 C ATOM 19602 N4 C B 968 -841.155 -71.634 61.746 1.00855.43 N ATOM 19603 C5 C B 968 -840.048 -70.662 59.865 1.00855.43 C ATOM 19604 C6 C B 968 -839.312 -70.882 58.772 1.00855.43 C ATOM 19605 P U B 969 -841.012 -72.271 53.220 1.00855.43 P ATOM 19606 O1P U B 969 -842.013 -72.213 54.315 1.00855.43 O ATOM 19607 O2P U B 969 -841.136 -73.309 52.171 1.00855.43 O ATOM 19608 O5* U B 969 -841.001 -70.863 52.477 1.00855.43 O ATOM 19609 C5* U B 969 -841.732 -70.683 51.269 1.00855.43 C ATOM 19610 C4* U B 969 -843.115 -70.158 51.563 1.00855.43 C ATOM 19611 O4* U B 969 -843.569 -69.364 50.440 1.00855.43 O ATOM 19612 C3* U B 969 -844.227 -71.190 51.736 1.00855.43 C ATOM 19613 O3* U B 969 -844.268 -71.722 53.057 1.00855.43 O ATOM 19614 C2* U B 969 -845.489 -70.405 51.402 1.00855.43 C ATOM 19615 O2* U B 969 -846.005 -69.707 52.519 1.00855.43 O ATOM 19616 C1* U B 969 -844.981 -69.394 50.371 1.00855.43 C ATOM 19617 N1 U B 969 -845.369 -69.675 48.981 1.00855.43 N ATOM 19618 C2 U B 969 -846.071 -68.695 48.305 1.00855.43 C ATOM 19619 O2 U B 969 -846.386 -67.635 48.815 1.00855.43 O ATOM 19620 N3 U B 969 -846.385 -69.004 47.003 1.00855.43 N ATOM 19621 C4 U B 969 -846.086 -70.169 46.329 1.00855.43 C ATOM 19622 O4 U B 969 -846.420 -70.286 45.151 1.00855.43 O ATOM 19623 C5 U B 969 -845.369 -71.138 47.101 1.00855.43 C ATOM 19624 C6 U B 969 -845.045 -70.865 48.369 1.00855.43 C ATOM 19625 P A B 970 -844.773 -73.228 53.304 1.00855.43 P ATOM 19626 O1P A B 970 -843.575 -74.107 53.351 1.00855.43 O ATOM 19627 O2P A B 970 -845.860 -73.523 52.340 1.00855.43 O ATOM 19628 O5* A B 970 -845.407 -73.172 54.767 1.00855.43 O ATOM 19629 C5* A B 970 -846.494 -72.295 55.051 1.00855.43 C ATOM 19630 C4* A B 970 -846.661 -72.134 56.543 1.00855.43 C ATOM 19631 O4* A B 970 -845.411 -71.711 57.151 1.00855.43 O ATOM 19632 C3* A B 970 -847.687 -71.105 56.997 1.00855.43 C ATOM 19633 O3* A B 970 -849.002 -71.644 57.002 1.00855.43 O ATOM 19634 C2* A B 970 -847.204 -70.737 58.398 1.00855.43 C ATOM 19635 O2* A B 970 -847.658 -71.639 59.385 1.00855.43 O ATOM 19636 C1* A B 970 -845.684 -70.868 58.257 1.00855.43 C ATOM 19637 N9 A B 970 -844.981 -69.597 58.066 1.00855.43 N ATOM 19638 C8 A B 970 -844.926 -68.811 56.941 1.00855.43 C ATOM 19639 N7 A B 970 -844.202 -67.730 57.086 1.00855.43 N ATOM 19640 C5 A B 970 -843.749 -67.802 58.393 1.00855.43 C ATOM 19641 C6 A B 970 -842.931 -66.955 59.165 1.00855.43 C ATOM 19642 N6 A B 970 -842.401 -65.818 58.704 1.00855.43 N ATOM 19643 N1 A B 970 -842.670 -67.319 60.438 1.00855.43 N ATOM 19644 C2 A B 970 -843.201 -68.459 60.899 1.00855.43 C ATOM 19645 N3 A B 970 -843.984 -69.338 60.275 1.00855.43 N ATOM 19646 C4 A B 970 -844.221 -68.949 59.012 1.00855.43 C ATOM 19647 P A B 971 -850.271 -70.661 57.067 1.00855.43 P ATOM 19648 O1P A B 971 -851.491 -71.507 57.103 1.00855.43 O ATOM 19649 O2P A B 971 -850.122 -69.630 56.010 1.00855.43 O ATOM 19650 O5* A B 971 -850.119 -69.949 58.482 1.00855.43 O ATOM 19651 C5* A B 971 -850.509 -70.604 59.686 1.00855.43 C ATOM 19652 C4* A B 971 -850.516 -69.611 60.821 1.00855.43 C ATOM 19653 O4* A B 971 -849.146 -69.272 61.151 1.00855.43 O ATOM 19654 C3* A B 971 -851.156 -68.279 60.524 1.00855.43 C ATOM 19655 O3* A B 971 -852.566 -68.366 60.679 1.00855.43 O ATOM 19656 C2* A B 971 -850.492 -67.341 61.523 1.00855.43 C ATOM 19657 O2* A B 971 -851.098 -67.389 62.797 1.00855.43 O ATOM 19658 C1* A B 971 -849.078 -67.927 61.594 1.00855.43 C ATOM 19659 N9 A B 971 -848.131 -67.233 60.722 1.00855.43 N ATOM 19660 C8 A B 971 -847.926 -67.467 59.384 1.00855.43 C ATOM 19661 N7 A B 971 -847.008 -66.703 58.850 1.00855.43 N ATOM 19662 C5 A B 971 -846.579 -65.910 59.906 1.00855.43 C ATOM 19663 C6 A B 971 -845.614 -64.894 59.988 1.00855.43 C ATOM 19664 N6 A B 971 -844.878 -64.483 58.953 1.00855.43 N ATOM 19665 N1 A B 971 -845.430 -64.300 61.189 1.00855.43 N ATOM 19666 C2 A B 971 -846.170 -64.710 62.224 1.00855.43 C ATOM 19667 N3 A B 971 -847.107 -65.656 62.272 1.00855.43 N ATOM 19668 C4 A B 971 -847.265 -66.224 61.066 1.00855.43 C ATOM 19669 P C B 972 -853.511 -68.295 59.383 1.00855.43 P ATOM 19670 O1P C B 972 -853.966 -69.672 59.074 1.00855.43 O ATOM 19671 O2P C B 972 -852.810 -67.499 58.340 1.00855.43 O ATOM 19672 O5* C B 972 -854.767 -67.452 59.881 1.00855.43 O ATOM 19673 C5* C B 972 -855.861 -68.086 60.539 1.00855.43 C ATOM 19674 C4* C B 972 -856.789 -67.038 61.096 1.00855.43 C ATOM 19675 O4* C B 972 -858.050 -67.634 61.485 1.00855.43 O ATOM 19676 C3* C B 972 -856.271 -66.279 62.307 1.00855.43 C ATOM 19677 O3* C B 972 -855.468 -65.175 61.869 1.00855.43 O ATOM 19678 C2* C B 972 -857.558 -65.865 63.025 1.00855.43 C ATOM 19679 O2* C B 972 -858.093 -64.651 62.540 1.00855.43 O ATOM 19680 C1* C B 972 -858.517 -67.004 62.660 1.00855.43 C ATOM 19681 N1 C B 972 -858.758 -68.034 63.688 1.00855.43 N ATOM 19682 C2 C B 972 -859.978 -68.022 64.372 1.00855.43 C ATOM 19683 O2 C B 972 -860.800 -67.126 64.115 1.00855.43 O ATOM 19684 N3 C B 972 -860.235 -68.979 65.291 1.00855.43 N ATOM 19685 C4 C B 972 -859.323 -69.922 65.541 1.00855.43 C ATOM 19686 N4 C B 972 -859.624 -70.855 66.450 1.00855.43 N ATOM 19687 C5 C B 972 -858.063 -69.951 64.875 1.00855.43 C ATOM 19688 C6 C B 972 -857.823 -68.993 63.966 1.00855.43 C ATOM 19689 P U B 973 -854.996 -64.045 62.914 1.00855.43 P ATOM 19690 O1P U B 973 -855.320 -64.507 64.287 1.00855.43 O ATOM 19691 O2P U B 973 -855.530 -62.747 62.431 1.00855.43 O ATOM 19692 O5* U B 973 -853.406 -64.008 62.797 1.00855.43 O ATOM 19693 C5* U B 973 -852.607 -63.943 63.975 1.00855.43 C ATOM 19694 C4* U B 973 -851.475 -62.950 63.815 1.00855.43 C ATOM 19695 O4* U B 973 -850.311 -63.588 63.237 1.00855.43 O ATOM 19696 C3* U B 973 -851.718 -61.739 62.949 1.00855.43 C ATOM 19697 O3* U B 973 -852.398 -60.732 63.690 1.00855.43 O ATOM 19698 C2* U B 973 -850.307 -61.291 62.583 1.00855.43 C ATOM 19699 O2* U B 973 -849.724 -60.467 63.575 1.00855.43 O ATOM 19700 C1* U B 973 -849.555 -62.622 62.524 1.00855.43 C ATOM 19701 N1 U B 973 -849.357 -63.108 61.155 1.00855.43 N ATOM 19702 C2 U B 973 -848.276 -62.616 60.451 1.00855.43 C ATOM 19703 O2 U B 973 -847.490 -61.813 60.924 1.00855.43 O ATOM 19704 N3 U B 973 -848.150 -63.099 59.173 1.00855.43 N ATOM 19705 C4 U B 973 -848.975 -64.004 58.541 1.00855.43 C ATOM 19706 O4 U B 973 -848.739 -64.330 57.376 1.00855.43 O ATOM 19707 C5 U B 973 -850.069 -64.471 59.336 1.00855.43 C ATOM 19708 C6 U B 973 -850.218 -64.018 60.586 1.00855.43 C ATOM 19709 P U B 974 -853.305 -59.655 62.913 1.00855.43 P ATOM 19710 O1P U B 974 -853.780 -58.675 63.921 1.00855.43 O ATOM 19711 O2P U B 974 -854.293 -60.388 62.080 1.00855.43 O ATOM 19712 O5* U B 974 -852.284 -58.910 61.940 1.00855.43 O ATOM 19713 C5* U B 974 -851.335 -57.985 62.456 1.00855.43 C ATOM 19714 C4* U B 974 -850.287 -57.651 61.415 1.00855.43 C ATOM 19715 O4* U B 974 -849.620 -58.866 60.981 1.00855.43 O ATOM 19716 C3* U B 974 -850.782 -57.017 60.122 1.00855.43 C ATOM 19717 O3* U B 974 -850.991 -55.612 60.224 1.00855.43 O ATOM 19718 C2* U B 974 -849.655 -57.351 59.148 1.00855.43 C ATOM 19719 O2* U B 974 -848.567 -56.455 59.254 1.00855.43 O ATOM 19720 C1* U B 974 -849.227 -58.740 59.623 1.00855.43 C ATOM 19721 N1 U B 974 -849.874 -59.812 58.854 1.00855.43 N ATOM 19722 C2 U B 974 -849.267 -60.246 57.679 1.00855.43 C ATOM 19723 O2 U B 974 -848.219 -59.788 57.254 1.00855.43 O ATOM 19724 N3 U B 974 -849.941 -61.240 57.014 1.00855.43 N ATOM 19725 C4 U B 974 -851.127 -61.832 57.386 1.00855.43 C ATOM 19726 O4 U B 974 -851.613 -62.709 56.675 1.00855.43 O ATOM 19727 C5 U B 974 -851.686 -61.334 58.607 1.00855.43 C ATOM 19728 C6 U B 974 -851.056 -60.369 59.280 1.00855.43 C ATOM 19729 P C B 975 -852.144 -54.917 59.346 1.00855.43 P ATOM 19730 O1P C B 975 -852.437 -53.591 59.946 1.00855.43 O ATOM 19731 O2P C B 975 -853.245 -55.901 59.168 1.00855.43 O ATOM 19732 O5* C B 975 -851.461 -54.681 57.927 1.00855.43 O ATOM 19733 C5* C B 975 -850.882 -53.426 57.588 1.00855.43 C ATOM 19734 C4* C B 975 -850.802 -53.281 56.087 1.00855.43 C ATOM 19735 O4* C B 975 -849.892 -54.282 55.562 1.00855.43 O ATOM 19736 C3* C B 975 -852.076 -53.515 55.314 1.00855.43 C ATOM 19737 O3* C B 975 -852.861 -52.330 55.316 1.00855.43 O ATOM 19738 C2* C B 975 -851.578 -53.899 53.929 1.00855.43 C ATOM 19739 O2* C B 975 -851.235 -52.774 53.144 1.00855.43 O ATOM 19740 C1* C B 975 -850.315 -54.691 54.273 1.00855.43 C ATOM 19741 N1 C B 975 -850.588 -56.136 54.325 1.00855.43 N ATOM 19742 C2 C B 975 -850.474 -56.889 53.157 1.00855.43 C ATOM 19743 O2 C B 975 -850.128 -56.325 52.109 1.00855.43 O ATOM 19744 N3 C B 975 -850.745 -58.216 53.195 1.00855.43 N ATOM 19745 C4 C B 975 -851.117 -58.785 54.345 1.00855.43 C ATOM 19746 N4 C B 975 -851.383 -60.095 54.337 1.00855.43 N ATOM 19747 C5 C B 975 -851.232 -58.043 55.551 1.00855.43 C ATOM 19748 C6 C B 975 -850.960 -56.734 55.499 1.00855.43 C ATOM 19749 P C B 976 -854.431 -52.429 54.991 1.00855.43 P ATOM 19750 O1P C B 976 -855.013 -51.085 55.240 1.00855.43 O ATOM 19751 O2P C B 976 -854.983 -53.609 55.707 1.00855.43 O ATOM 19752 O5* C B 976 -854.489 -52.717 53.425 1.00855.43 O ATOM 19753 C5* C B 976 -854.050 -51.726 52.504 1.00855.43 C ATOM 19754 C4* C B 976 -853.989 -52.274 51.096 1.00855.43 C ATOM 19755 O4* C B 976 -852.954 -53.288 50.987 1.00855.43 O ATOM 19756 C3* C B 976 -855.247 -52.961 50.617 1.00855.43 C ATOM 19757 O3* C B 976 -856.198 -52.026 50.121 1.00855.43 O ATOM 19758 C2* C B 976 -854.722 -53.850 49.494 1.00855.43 C ATOM 19759 O2* C B 976 -854.571 -53.152 48.274 1.00855.43 O ATOM 19760 C1* C B 976 -853.344 -54.246 50.017 1.00855.43 C ATOM 19761 N1 C B 976 -853.346 -55.591 50.615 1.00855.43 N ATOM 19762 C2 C B 976 -852.471 -56.549 50.095 1.00855.43 C ATOM 19763 O2 C B 976 -851.691 -56.221 49.190 1.00855.43 O ATOM 19764 N3 C B 976 -852.498 -57.809 50.588 1.00855.43 N ATOM 19765 C4 C B 976 -853.347 -58.122 51.566 1.00855.43 C ATOM 19766 N4 C B 976 -853.351 -59.384 52.002 1.00855.43 N ATOM 19767 C5 C B 976 -854.228 -57.158 52.138 1.00855.43 C ATOM 19768 C6 C B 976 -854.194 -55.914 51.637 1.00855.43 C ATOM 19769 P G B 977 -857.644 -51.926 50.816 1.00855.43 P ATOM 19770 O1P G B 977 -857.690 -50.638 51.558 1.00855.43 O ATOM 19771 O2P G B 977 -857.909 -53.196 51.537 1.00855.43 O ATOM 19772 O5* G B 977 -858.652 -51.828 49.590 1.00855.43 O ATOM 19773 C5* G B 977 -858.257 -51.171 48.392 1.00855.43 C ATOM 19774 C4* G B 977 -858.149 -52.146 47.247 1.00855.43 C ATOM 19775 O4* G B 977 -857.078 -53.088 47.484 1.00855.43 O ATOM 19776 C3* G B 977 -859.383 -53.008 47.016 1.00855.43 C ATOM 19777 O3* G B 977 -860.368 -52.338 46.239 1.00855.43 O ATOM 19778 C2* G B 977 -858.808 -54.213 46.283 1.00855.43 C ATOM 19779 O2* G B 977 -858.671 -53.996 44.895 1.00855.43 O ATOM 19780 C1* G B 977 -857.420 -54.341 46.917 1.00855.43 C ATOM 19781 N9 G B 977 -857.345 -55.362 47.954 1.00855.43 N ATOM 19782 C8 G B 977 -857.762 -55.273 49.257 1.00855.43 C ATOM 19783 N7 G B 977 -857.563 -56.369 49.937 1.00855.43 N ATOM 19784 C5 G B 977 -856.977 -57.235 49.022 1.00855.43 C ATOM 19785 C6 G B 977 -856.533 -58.579 49.175 1.00855.43 C ATOM 19786 O6 G B 977 -856.572 -59.297 50.181 1.00855.43 O ATOM 19787 N1 G B 977 -856.002 -59.076 47.988 1.00855.43 N ATOM 19788 C2 G B 977 -855.909 -58.380 46.811 1.00855.43 C ATOM 19789 N2 G B 977 -855.362 -59.031 45.775 1.00855.43 N ATOM 19790 N3 G B 977 -856.316 -57.132 46.659 1.00855.43 N ATOM 19791 C4 G B 977 -856.838 -56.627 47.797 1.00855.43 C ATOM 19792 P U B 978 -861.911 -52.407 46.684 1.00855.43 P ATOM 19793 O1P U B 978 -862.600 -51.252 46.054 1.00855.43 O ATOM 19794 O2P U B 978 -861.965 -52.581 48.158 1.00855.43 O ATOM 19795 O5* U B 978 -862.448 -53.740 46.000 1.00855.43 O ATOM 19796 C5* U B 978 -862.616 -53.811 44.588 1.00855.43 C ATOM 19797 C4* U B 978 -862.630 -55.249 44.121 1.00855.43 C ATOM 19798 O4* U B 978 -861.349 -55.874 44.402 1.00855.43 O ATOM 19799 C3* U B 978 -863.652 -56.139 44.795 1.00855.43 C ATOM 19800 O3* U B 978 -864.921 -56.044 44.163 1.00855.43 O ATOM 19801 C2* U B 978 -863.048 -57.527 44.634 1.00855.43 C ATOM 19802 O2* U B 978 -863.329 -58.094 43.367 1.00855.43 O ATOM 19803 C1* U B 978 -861.553 -57.236 44.752 1.00855.43 C ATOM 19804 N1 U B 978 -861.081 -57.449 46.128 1.00855.43 N ATOM 19805 C2 U B 978 -860.553 -58.689 46.441 1.00855.43 C ATOM 19806 O2 U B 978 -860.429 -59.581 45.619 1.00855.43 O ATOM 19807 N3 U B 978 -860.174 -58.847 47.751 1.00855.43 N ATOM 19808 C4 U B 978 -860.264 -57.904 48.759 1.00855.43 C ATOM 19809 O4 U B 978 -859.907 -58.200 49.899 1.00855.43 O ATOM 19810 C5 U B 978 -860.802 -56.641 48.350 1.00855.43 C ATOM 19811 C6 U B 978 -861.181 -56.462 47.079 1.00855.43 C ATOM 19812 P A B 979 -866.240 -55.868 45.068 1.00855.43 P ATOM 19813 O1P A B 979 -867.217 -55.059 44.300 1.00855.43 O ATOM 19814 O2P A B 979 -865.814 -55.419 46.419 1.00855.43 O ATOM 19815 O5* A B 979 -866.814 -57.350 45.204 1.00855.43 O ATOM 19816 C5* A B 979 -867.822 -57.827 44.319 1.00855.43 C ATOM 19817 C4* A B 979 -868.346 -59.160 44.796 1.00855.43 C ATOM 19818 O4* A B 979 -867.281 -60.146 44.745 1.00855.43 O ATOM 19819 C3* A B 979 -868.843 -59.233 46.218 1.00855.43 C ATOM 19820 O3* A B 979 -870.180 -58.752 46.295 1.00855.43 O ATOM 19821 C2* A B 979 -868.727 -60.717 46.547 1.00855.43 C ATOM 19822 O2* A B 979 -869.825 -61.466 46.069 1.00855.43 O ATOM 19823 C1* A B 979 -867.461 -61.101 45.778 1.00855.43 C ATOM 19824 N9 A B 979 -866.279 -61.048 46.639 1.00855.43 N ATOM 19825 C8 A B 979 -865.403 -60.002 46.768 1.00855.43 C ATOM 19826 N7 A B 979 -864.452 -60.213 47.641 1.00855.43 N ATOM 19827 C5 A B 979 -864.713 -61.490 48.117 1.00855.43 C ATOM 19828 C6 A B 979 -864.065 -62.291 49.072 1.00855.43 C ATOM 19829 N6 A B 979 -862.982 -61.901 49.744 1.00855.43 N ATOM 19830 N1 A B 979 -864.576 -63.516 49.313 1.00855.43 N ATOM 19831 C2 A B 979 -865.669 -63.899 48.637 1.00855.43 C ATOM 19832 N3 A B 979 -866.371 -63.233 47.720 1.00855.43 N ATOM 19833 C4 A B 979 -865.834 -62.018 47.502 1.00855.43 C ATOM 19834 P G B 980 -870.740 -58.182 47.691 1.00855.43 P ATOM 19835 O1P G B 980 -872.082 -57.608 47.431 1.00855.43 O ATOM 19836 O2P G B 980 -869.682 -57.329 48.298 1.00855.43 O ATOM 19837 O5* G B 980 -870.915 -59.481 48.599 1.00855.43 O ATOM 19838 C5* G B 980 -871.797 -60.526 48.202 1.00855.43 C ATOM 19839 C4* G B 980 -871.503 -61.793 48.972 1.00855.43 C ATOM 19840 O4* G B 980 -870.136 -62.209 48.725 1.00855.43 O ATOM 19841 C3* G B 980 -871.620 -61.661 50.487 1.00855.43 C ATOM 19842 O3* G B 980 -872.949 -61.877 50.951 1.00855.43 O ATOM 19843 C2* G B 980 -870.672 -62.742 50.988 1.00855.43 C ATOM 19844 O2* G B 980 -871.277 -64.019 51.015 1.00855.43 O ATOM 19845 C1* G B 980 -869.578 -62.728 49.918 1.00855.43 C ATOM 19846 N9 G B 980 -868.427 -61.918 50.304 1.00855.43 N ATOM 19847 C8 G B 980 -868.159 -60.614 49.959 1.00855.43 C ATOM 19848 N7 G B 980 -867.045 -60.168 50.476 1.00855.43 N ATOM 19849 C5 G B 980 -866.547 -61.241 51.203 1.00855.43 C ATOM 19850 C6 G B 980 -865.363 -61.364 51.981 1.00855.43 C ATOM 19851 O6 G B 980 -864.490 -60.519 52.200 1.00855.43 O ATOM 19852 N1 G B 980 -865.248 -62.631 52.540 1.00855.43 N ATOM 19853 C2 G B 980 -866.150 -63.653 52.377 1.00855.43 C ATOM 19854 N2 G B 980 -865.860 -64.805 52.999 1.00855.43 N ATOM 19855 N3 G B 980 -867.253 -63.554 51.656 1.00855.43 N ATOM 19856 C4 G B 980 -867.389 -62.331 51.101 1.00855.43 C ATOM 19857 P C B 981 -873.605 -60.860 52.014 1.00855.43 P ATOM 19858 O1P C B 981 -875.076 -60.943 51.850 1.00855.43 O ATOM 19859 O2P C B 981 -872.924 -59.549 51.878 1.00855.43 O ATOM 19860 O5* C B 981 -873.230 -61.472 53.440 1.00855.43 O ATOM 19861 C5* C B 981 -873.667 -62.775 53.820 1.00855.43 C ATOM 19862 C4* C B 981 -872.628 -63.439 54.696 1.00855.43 C ATOM 19863 O4* C B 981 -871.368 -63.442 53.976 1.00855.43 O ATOM 19864 C3* C B 981 -872.313 -62.730 55.991 1.00855.43 C ATOM 19865 O3* C B 981 -873.207 -63.161 57.010 1.00855.43 O ATOM 19866 C2* C B 981 -870.883 -63.162 56.291 1.00855.43 C ATOM 19867 O2* C B 981 -870.820 -64.417 56.937 1.00855.43 O ATOM 19868 C1* C B 981 -870.292 -63.279 54.884 1.00855.43 C ATOM 19869 N1 C B 981 -869.543 -62.076 54.487 1.00855.43 N ATOM 19870 C2 C B 981 -868.151 -62.099 54.549 1.00855.43 C ATOM 19871 O2 C B 981 -867.586 -63.135 54.930 1.00855.43 O ATOM 19872 N3 C B 981 -867.454 -60.994 54.192 1.00855.43 N ATOM 19873 C4 C B 981 -868.104 -59.899 53.784 1.00855.43 C ATOM 19874 N4 C B 981 -867.380 -58.832 53.445 1.00855.43 N ATOM 19875 C5 C B 981 -869.525 -59.851 53.709 1.00855.43 C ATOM 19876 C6 C B 981 -870.197 -60.950 54.065 1.00855.43 C ATOM 19877 P C B 982 -874.422 -62.204 57.461 1.00855.43 P ATOM 19878 O1P C B 982 -875.674 -62.992 57.358 1.00855.43 O ATOM 19879 O2P C B 982 -874.293 -60.927 56.717 1.00855.43 O ATOM 19880 O5* C B 982 -874.143 -61.906 59.004 1.00855.43 O ATOM 19881 C5* C B 982 -874.061 -62.967 59.953 1.00855.43 C ATOM 19882 C4* C B 982 -872.879 -62.764 60.874 1.00855.43 C ATOM 19883 O4* C B 982 -871.653 -62.934 60.116 1.00855.43 O ATOM 19884 C3* C B 982 -872.751 -61.371 61.485 1.00855.43 C ATOM 19885 O3* C B 982 -873.514 -61.186 62.676 1.00855.43 O ATOM 19886 C2* C B 982 -871.256 -61.270 61.777 1.00855.43 C ATOM 19887 O2* C B 982 -870.904 -61.875 63.007 1.00855.43 O ATOM 19888 C1* C B 982 -870.652 -62.072 60.624 1.00855.43 C ATOM 19889 N1 C B 982 -870.165 -61.225 59.520 1.00855.43 N ATOM 19890 C2 C B 982 -868.785 -61.032 59.376 1.00855.43 C ATOM 19891 O2 C B 982 -868.014 -61.578 60.176 1.00855.43 O ATOM 19892 N3 C B 982 -868.331 -60.254 58.368 1.00855.43 N ATOM 19893 C4 C B 982 -869.192 -59.684 57.526 1.00855.43 C ATOM 19894 N4 C B 982 -868.693 -58.923 56.545 1.00855.43 N ATOM 19895 C5 C B 982 -870.600 -59.866 57.649 1.00855.43 C ATOM 19896 C6 C B 982 -871.039 -60.637 58.651 1.00855.43 C ATOM 19897 P G B 983 -874.199 -59.763 62.973 1.00855.43 P ATOM 19898 O1P G B 983 -874.963 -59.888 64.239 1.00855.43 O ATOM 19899 O2P G B 983 -874.893 -59.306 61.744 1.00855.43 O ATOM 19900 O5* G B 983 -872.974 -58.778 63.231 1.00855.43 O ATOM 19901 C5* G B 983 -872.295 -58.754 64.485 1.00855.43 C ATOM 19902 C4* G B 983 -871.662 -57.399 64.692 1.00855.43 C ATOM 19903 O4* G B 983 -870.532 -57.256 63.797 1.00855.43 O ATOM 19904 C3* G B 983 -872.510 -56.160 64.434 1.00855.43 C ATOM 19905 O3* G B 983 -873.329 -55.838 65.551 1.00855.43 O ATOM 19906 C2* G B 983 -871.465 -55.087 64.150 1.00855.43 C ATOM 19907 O2* G B 983 -870.946 -54.515 65.334 1.00855.43 O ATOM 19908 C1* G B 983 -870.362 -55.895 63.455 1.00855.43 C ATOM 19909 N9 G B 983 -870.371 -55.800 62.000 1.00855.43 N ATOM 19910 C8 G B 983 -870.947 -56.691 61.124 1.00855.43 C ATOM 19911 N7 G B 983 -870.764 -56.368 59.873 1.00855.43 N ATOM 19912 C5 G B 983 -870.030 -55.195 59.923 1.00855.43 C ATOM 19913 C6 G B 983 -869.525 -54.383 58.878 1.00855.43 C ATOM 19914 O6 G B 983 -869.620 -54.551 57.657 1.00855.43 O ATOM 19915 N1 G B 983 -868.840 -53.279 59.372 1.00855.43 N ATOM 19916 C2 G B 983 -868.658 -52.991 60.703 1.00855.43 C ATOM 19917 N2 G B 983 -867.975 -51.872 60.982 1.00855.43 N ATOM 19918 N3 G B 983 -869.113 -53.745 61.691 1.00855.43 N ATOM 19919 C4 G B 983 -869.787 -54.825 61.231 1.00855.43 C ATOM 19920 P A B 984 -874.552 -54.810 65.383 1.00855.43 P ATOM 19921 O1P A B 984 -874.292 -53.982 64.181 1.00855.43 O ATOM 19922 O2P A B 984 -874.754 -54.150 66.698 1.00855.43 O ATOM 19923 O5* A B 984 -875.829 -55.724 65.104 1.00855.43 O ATOM 19924 C5* A B 984 -877.135 -55.167 65.213 1.00855.43 C ATOM 19925 C4* A B 984 -877.878 -55.257 63.896 1.00855.43 C ATOM 19926 O4* A B 984 -877.094 -54.639 62.848 1.00855.43 O ATOM 19927 C3* A B 984 -878.194 -56.671 63.412 1.00855.43 C ATOM 19928 O3* A B 984 -879.423 -57.144 63.962 1.00855.43 O ATOM 19929 C2* A B 984 -878.307 -56.470 61.903 1.00855.43 C ATOM 19930 O2* A B 984 -879.587 -56.032 61.504 1.00855.43 O ATOM 19931 C1* A B 984 -877.309 -55.340 61.643 1.00855.43 C ATOM 19932 N9 A B 984 -876.026 -55.733 61.066 1.00855.43 N ATOM 19933 C8 A B 984 -874.769 -55.265 61.363 1.00855.43 C ATOM 19934 N7 A B 984 -873.824 -55.778 60.617 1.00855.43 N ATOM 19935 C5 A B 984 -874.498 -56.655 59.779 1.00855.43 C ATOM 19936 C6 A B 984 -874.066 -57.500 58.741 1.00855.43 C ATOM 19937 N6 A B 984 -872.796 -57.588 58.340 1.00855.43 N ATOM 19938 N1 A B 984 -874.991 -58.254 58.114 1.00855.43 N ATOM 19939 C2 A B 984 -876.271 -58.148 58.501 1.00855.43 C ATOM 19940 N3 A B 984 -876.805 -57.378 59.448 1.00855.43 N ATOM 19941 C4 A B 984 -875.851 -56.649 60.056 1.00855.43 C ATOM 19942 P G B 985 -879.528 -58.651 64.524 1.00855.43 P ATOM 19943 O1P G B 985 -880.645 -58.680 65.495 1.00855.43 O ATOM 19944 O2P G B 985 -878.198 -59.147 64.950 1.00855.43 O ATOM 19945 O5* G B 985 -879.923 -59.507 63.243 1.00855.43 O ATOM 19946 C5* G B 985 -879.518 -60.866 63.141 1.00855.43 C ATOM 19947 C4* G B 985 -880.668 -61.696 62.633 1.00855.43 C ATOM 19948 O4* G B 985 -881.251 -61.051 61.477 1.00855.43 O ATOM 19949 C3* G B 985 -880.303 -63.097 62.177 1.00855.43 C ATOM 19950 O3* G B 985 -880.294 -64.023 63.258 1.00855.43 O ATOM 19951 C2* G B 985 -881.400 -63.407 61.165 1.00855.43 C ATOM 19952 O2* G B 985 -882.584 -63.862 61.786 1.00855.43 O ATOM 19953 C1* G B 985 -881.674 -62.029 60.554 1.00855.43 C ATOM 19954 N9 G B 985 -880.980 -61.773 59.297 1.00855.43 N ATOM 19955 C8 G B 985 -881.535 -61.695 58.040 1.00855.43 C ATOM 19956 N7 G B 985 -880.658 -61.427 57.112 1.00855.43 N ATOM 19957 C5 G B 985 -879.452 -61.325 57.794 1.00855.43 C ATOM 19958 C6 G B 985 -878.146 -61.042 57.319 1.00855.43 C ATOM 19959 O6 G B 985 -877.779 -60.817 56.160 1.00855.43 O ATOM 19960 N1 G B 985 -877.215 -61.037 58.354 1.00855.43 N ATOM 19961 C2 G B 985 -877.500 -61.271 59.675 1.00855.43 C ATOM 19962 N2 G B 985 -876.464 -61.225 60.525 1.00855.43 N ATOM 19963 N3 G B 985 -878.715 -61.533 60.130 1.00855.43 N ATOM 19964 C4 G B 985 -879.635 -61.543 59.145 1.00855.43 C ATOM 19965 P A B 986 -879.113 -65.104 63.385 1.00855.43 P ATOM 19966 O1P A B 986 -878.524 -64.967 64.746 1.00855.43 O ATOM 19967 O2P A B 986 -878.235 -64.996 62.193 1.00855.43 O ATOM 19968 O5* A B 986 -879.882 -66.499 63.326 1.00855.43 O ATOM 19969 C5* A B 986 -880.659 -66.943 64.434 1.00855.43 C ATOM 19970 C4* A B 986 -881.696 -67.944 63.978 1.00855.43 C ATOM 19971 O4* A B 986 -882.599 -67.309 63.040 1.00855.43 O ATOM 19972 C3* A B 986 -881.172 -69.159 63.241 1.00855.43 C ATOM 19973 O3* A B 986 -880.776 -70.170 64.158 1.00855.43 O ATOM 19974 C2* A B 986 -882.370 -69.593 62.400 1.00855.43 C ATOM 19975 O2* A B 986 -883.281 -70.395 63.124 1.00855.43 O ATOM 19976 C1* A B 986 -883.020 -68.252 62.069 1.00855.43 C ATOM 19977 N9 A B 986 -882.656 -67.749 60.745 1.00855.43 N ATOM 19978 C8 A B 986 -881.791 -66.730 60.434 1.00855.43 C ATOM 19979 N7 A B 986 -881.677 -66.503 59.148 1.00855.43 N ATOM 19980 C5 A B 986 -882.526 -67.440 58.572 1.00855.43 C ATOM 19981 C6 A B 986 -882.857 -67.719 57.234 1.00855.43 C ATOM 19982 N6 A B 986 -882.358 -67.049 56.191 1.00855.43 N ATOM 19983 N1 A B 986 -883.732 -68.721 57.000 1.00855.43 N ATOM 19984 C2 A B 986 -884.237 -69.388 58.043 1.00855.43 C ATOM 19985 N3 A B 986 -884.005 -69.216 59.344 1.00855.43 N ATOM 19986 C4 A B 986 -883.131 -68.215 59.543 1.00855.43 C ATOM 19987 P G B 987 -879.600 -71.189 63.759 1.00855.43 P ATOM 19988 O1P G B 987 -879.257 -71.970 64.973 1.00855.43 O ATOM 19989 O2P G B 987 -878.540 -70.432 63.049 1.00855.43 O ATOM 19990 O5* G B 987 -880.293 -72.178 62.721 1.00855.43 O ATOM 19991 C5* G B 987 -881.492 -72.868 63.056 1.00855.43 C ATOM 19992 C4* G B 987 -882.000 -73.633 61.859 1.00855.43 C ATOM 19993 O4* G B 987 -882.141 -72.752 60.719 1.00855.43 O ATOM 19994 C3* G B 987 -881.153 -74.787 61.339 1.00855.43 C ATOM 19995 O3* G B 987 -881.337 -75.960 62.120 1.00855.43 O ATOM 19996 C2* G B 987 -881.647 -74.940 59.906 1.00855.43 C ATOM 19997 O2* G B 987 -882.832 -75.708 59.833 1.00855.43 O ATOM 19998 C1* G B 987 -881.945 -73.488 59.521 1.00855.43 C ATOM 19999 N9 G B 987 -880.860 -72.853 58.781 1.00855.43 N ATOM 20000 C8 G B 987 -879.894 -72.019 59.290 1.00855.43 C ATOM 20001 N7 G B 987 -879.048 -71.605 58.387 1.00855.43 N ATOM 20002 C5 G B 987 -879.479 -72.200 57.210 1.00855.43 C ATOM 20003 C6 G B 987 -878.949 -72.127 55.894 1.00855.43 C ATOM 20004 O6 G B 987 -877.962 -71.496 55.490 1.00855.43 O ATOM 20005 N1 G B 987 -879.694 -72.889 54.999 1.00855.43 N ATOM 20006 C2 G B 987 -880.802 -73.629 55.325 1.00855.43 C ATOM 20007 N2 G B 987 -881.380 -74.297 54.319 1.00855.43 N ATOM 20008 N3 G B 987 -881.304 -73.707 56.549 1.00855.43 N ATOM 20009 C4 G B 987 -880.597 -72.975 57.434 1.00855.43 C ATOM 20010 P G B 988 -880.233 -77.122 62.070 1.00855.43 P ATOM 20011 O1P G B 988 -880.607 -78.141 63.086 1.00855.43 O ATOM 20012 O2P G B 988 -878.889 -76.491 62.129 1.00855.43 O ATOM 20013 O5* G B 988 -880.422 -77.762 60.628 1.00855.43 O ATOM 20014 C5* G B 988 -881.561 -78.569 60.339 1.00855.43 C ATOM 20015 C4* G B 988 -881.471 -79.113 58.935 1.00855.43 C ATOM 20016 O4* G B 988 -881.576 -78.034 57.972 1.00855.43 O ATOM 20017 C3* G B 988 -880.172 -79.832 58.593 1.00855.43 C ATOM 20018 O3* G B 988 -880.191 -81.194 59.008 1.00855.43 O ATOM 20019 C2* G B 988 -880.095 -79.679 57.080 1.00855.43 C ATOM 20020 O2* G B 988 -880.852 -80.662 56.402 1.00855.43 O ATOM 20021 C1* G B 988 -880.730 -78.303 56.866 1.00855.43 C ATOM 20022 N9 G B 988 -879.752 -77.224 56.761 1.00855.43 N ATOM 20023 C8 G B 988 -879.383 -76.338 57.745 1.00855.43 C ATOM 20024 N7 G B 988 -878.486 -75.475 57.348 1.00855.43 N ATOM 20025 C5 G B 988 -878.247 -75.814 56.023 1.00855.43 C ATOM 20026 C6 G B 988 -877.372 -75.236 55.070 1.00855.43 C ATOM 20027 O6 G B 988 -876.606 -74.276 55.207 1.00855.43 O ATOM 20028 N1 G B 988 -877.445 -75.893 53.843 1.00855.43 N ATOM 20029 C2 G B 988 -878.257 -76.964 53.570 1.00855.43 C ATOM 20030 N2 G B 988 -878.184 -77.457 52.322 1.00855.43 N ATOM 20031 N3 G B 988 -879.078 -77.513 54.450 1.00855.43 N ATOM 20032 C4 G B 988 -879.021 -76.893 55.646 1.00855.43 C ATOM 20033 P G B 989 -878.825 -81.902 59.470 1.00855.43 P ATOM 20034 O1P G B 989 -879.061 -83.369 59.464 1.00855.43 O ATOM 20035 O2P G B 989 -878.354 -81.238 60.713 1.00855.43 O ATOM 20036 O5* G B 989 -877.803 -81.560 58.300 1.00855.43 O ATOM 20037 C5* G B 989 -877.870 -82.238 57.052 1.00855.43 C ATOM 20038 C4* G B 989 -876.668 -81.895 56.209 1.00855.43 C ATOM 20039 O4* G B 989 -876.776 -80.530 55.728 1.00855.43 O ATOM 20040 C3* G B 989 -875.341 -81.931 56.923 1.00855.43 C ATOM 20041 O3* G B 989 -874.850 -83.264 56.957 1.00855.43 O ATOM 20042 C2* G B 989 -874.467 -81.005 56.088 1.00855.43 C ATOM 20043 O2* G B 989 -873.888 -81.657 54.975 1.00855.43 O ATOM 20044 C1* G B 989 -875.481 -79.967 55.603 1.00855.43 C ATOM 20045 N9 G B 989 -875.442 -78.728 56.374 1.00855.43 N ATOM 20046 C8 G B 989 -876.340 -78.316 57.332 1.00855.43 C ATOM 20047 N7 G B 989 -876.033 -77.158 57.854 1.00855.43 N ATOM 20048 C5 G B 989 -874.867 -76.782 57.201 1.00855.43 C ATOM 20049 C6 G B 989 -874.065 -75.621 57.345 1.00855.43 C ATOM 20050 O6 G B 989 -874.226 -74.655 58.101 1.00855.43 O ATOM 20051 N1 G B 989 -872.968 -75.649 56.488 1.00855.43 N ATOM 20052 C2 G B 989 -872.676 -76.661 55.610 1.00855.43 C ATOM 20053 N2 G B 989 -871.571 -76.505 54.868 1.00855.43 N ATOM 20054 N3 G B 989 -873.418 -77.748 55.463 1.00855.43 N ATOM 20055 C4 G B 989 -874.489 -77.742 56.287 1.00855.43 C ATOM 20056 P A B 990 -874.331 -83.882 58.345 1.00855.43 P ATOM 20057 O1P A B 990 -873.731 -85.208 58.039 1.00855.43 O ATOM 20058 O2P A B 990 -875.423 -83.783 59.345 1.00855.43 O ATOM 20059 O5* A B 990 -873.156 -82.896 58.778 1.00855.43 O ATOM 20060 C5* A B 990 -871.981 -82.794 57.986 1.00855.43 C ATOM 20061 C4* A B 990 -871.232 -81.516 58.288 1.00855.43 C ATOM 20062 O4* A B 990 -872.018 -80.352 57.912 1.00855.43 O ATOM 20063 C3* A B 990 -870.878 -81.303 59.749 1.00855.43 C ATOM 20064 O3* A B 990 -869.691 -81.976 60.131 1.00855.43 O ATOM 20065 C2* A B 990 -870.721 -79.789 59.833 1.00855.43 C ATOM 20066 O2* A B 990 -869.449 -79.347 59.396 1.00855.43 O ATOM 20067 C1* A B 990 -871.795 -79.313 58.855 1.00855.43 C ATOM 20068 N9 A B 990 -873.042 -79.023 59.559 1.00855.43 N ATOM 20069 C8 A B 990 -874.227 -79.719 59.562 1.00855.43 C ATOM 20070 N7 A B 990 -875.145 -79.193 60.337 1.00855.43 N ATOM 20071 C5 A B 990 -874.524 -78.077 60.881 1.00855.43 C ATOM 20072 C6 A B 990 -874.963 -77.092 61.788 1.00855.43 C ATOM 20073 N6 A B 990 -876.181 -77.076 62.331 1.00855.43 N ATOM 20074 N1 A B 990 -874.092 -76.112 62.120 1.00855.43 N ATOM 20075 C2 A B 990 -872.869 -76.131 61.576 1.00855.43 C ATOM 20076 N3 A B 990 -872.342 -76.999 60.715 1.00855.43 N ATOM 20077 C4 A B 990 -873.232 -77.957 60.405 1.00855.43 C ATOM 20078 P A B 991 -869.370 -82.178 61.694 1.00855.43 P ATOM 20079 O1P A B 991 -868.658 -80.954 62.145 1.00855.43 O ATOM 20080 O2P A B 991 -868.734 -83.506 61.883 1.00855.43 O ATOM 20081 O5* A B 991 -870.803 -82.189 62.398 1.00855.43 O ATOM 20082 C5* A B 991 -871.751 -83.233 62.160 1.00855.43 C ATOM 20083 C4* A B 991 -872.453 -83.603 63.443 1.00855.43 C ATOM 20084 O4* A B 991 -871.549 -84.395 64.247 1.00855.43 O ATOM 20085 C3* A B 991 -872.868 -82.452 64.340 1.00855.43 C ATOM 20086 O3* A B 991 -874.158 -81.970 63.966 1.00855.43 O ATOM 20087 C2* A B 991 -872.883 -83.087 65.726 1.00855.43 C ATOM 20088 O2* A B 991 -874.095 -83.753 66.007 1.00855.43 O ATOM 20089 C1* A B 991 -871.753 -84.120 65.616 1.00855.43 C ATOM 20090 N9 A B 991 -870.472 -83.681 66.160 1.00855.43 N ATOM 20091 C8 A B 991 -869.715 -82.619 65.727 1.00855.43 C ATOM 20092 N7 A B 991 -868.586 -82.476 66.374 1.00855.43 N ATOM 20093 C5 A B 991 -868.601 -83.504 67.304 1.00855.43 C ATOM 20094 C6 A B 991 -867.681 -83.901 68.288 1.00855.43 C ATOM 20095 N6 A B 991 -866.520 -83.282 68.506 1.00855.43 N ATOM 20096 N1 A B 991 -868.001 -84.968 69.051 1.00855.43 N ATOM 20097 C2 A B 991 -869.165 -85.590 68.824 1.00855.43 C ATOM 20098 N3 A B 991 -870.110 -85.317 67.928 1.00855.43 N ATOM 20099 C4 A B 991 -869.761 -84.251 67.189 1.00855.43 C ATOM 20100 P A B 992 -874.315 -80.515 63.293 1.00855.43 P ATOM 20101 O1P A B 992 -875.611 -80.512 62.566 1.00855.43 O ATOM 20102 O2P A B 992 -873.064 -80.201 62.557 1.00855.43 O ATOM 20103 O5* A B 992 -874.442 -79.509 64.522 1.00855.43 O ATOM 20104 C5* A B 992 -875.691 -79.287 65.174 1.00855.43 C ATOM 20105 C4* A B 992 -875.462 -78.617 66.510 1.00855.43 C ATOM 20106 O4* A B 992 -874.575 -79.454 67.291 1.00855.43 O ATOM 20107 C3* A B 992 -874.786 -77.245 66.476 1.00855.43 C ATOM 20108 O3* A B 992 -875.748 -76.202 66.333 1.00855.43 O ATOM 20109 C2* A B 992 -874.085 -77.179 67.832 1.00855.43 C ATOM 20110 O2* A B 992 -874.937 -76.722 68.865 1.00855.43 O ATOM 20111 C1* A B 992 -873.727 -78.647 68.082 1.00855.43 C ATOM 20112 N9 A B 992 -872.347 -79.007 67.765 1.00855.43 N ATOM 20113 C8 A B 992 -871.863 -79.563 66.606 1.00855.43 C ATOM 20114 N7 A B 992 -870.574 -79.803 66.632 1.00855.43 N ATOM 20115 C5 A B 992 -870.180 -79.369 67.889 1.00855.43 C ATOM 20116 C6 A B 992 -868.933 -79.350 68.539 1.00855.43 C ATOM 20117 N6 A B 992 -867.805 -79.802 67.985 1.00855.43 N ATOM 20118 N1 A B 992 -868.884 -78.851 69.792 1.00855.43 N ATOM 20119 C2 A B 992 -870.019 -78.404 70.349 1.00855.43 C ATOM 20120 N3 A B 992 -871.246 -78.368 69.841 1.00855.43 N ATOM 20121 C4 A B 992 -871.259 -78.872 68.597 1.00855.43 C ATOM 20122 P C B 993 -875.351 -74.832 65.593 1.00855.43 P ATOM 20123 O1P C B 993 -876.142 -73.746 66.226 1.00855.43 O ATOM 20124 O2P C B 993 -875.448 -75.049 64.127 1.00855.43 O ATOM 20125 O5* C B 993 -873.820 -74.614 65.969 1.00855.43 O ATOM 20126 C5* C B 993 -873.436 -73.754 67.041 1.00855.43 C ATOM 20127 C4* C B 993 -872.026 -73.265 66.819 1.00855.43 C ATOM 20128 O4* C B 993 -871.132 -74.405 66.855 1.00855.43 O ATOM 20129 C3* C B 993 -871.717 -72.591 65.501 1.00855.43 C ATOM 20130 O3* C B 993 -872.059 -71.213 65.574 1.00855.43 O ATOM 20131 C2* C B 993 -870.217 -72.809 65.338 1.00855.43 C ATOM 20132 O2* C B 993 -869.449 -71.841 66.026 1.00855.43 O ATOM 20133 C1* C B 993 -870.028 -74.177 66.002 1.00855.43 C ATOM 20134 N1 C B 993 -869.962 -75.299 65.052 1.00855.43 N ATOM 20135 C2 C B 993 -868.834 -75.436 64.238 1.00855.43 C ATOM 20136 O2 C B 993 -867.932 -74.588 64.319 1.00855.43 O ATOM 20137 N3 C B 993 -868.760 -76.481 63.381 1.00855.43 N ATOM 20138 C4 C B 993 -869.758 -77.367 63.325 1.00855.43 C ATOM 20139 N4 C B 993 -869.637 -78.392 62.477 1.00855.43 N ATOM 20140 C5 C B 993 -870.922 -77.243 64.134 1.00855.43 C ATOM 20141 C6 C B 993 -870.982 -76.205 64.976 1.00855.43 C ATOM 20142 P A B 994 -872.345 -70.389 64.226 1.00855.43 P ATOM 20143 O1P A B 994 -873.336 -69.333 64.551 1.00855.43 O ATOM 20144 O2P A B 994 -872.637 -71.356 63.137 1.00855.43 O ATOM 20145 O5* A B 994 -870.956 -69.684 63.908 1.00855.43 O ATOM 20146 C5* A B 994 -870.538 -69.485 62.562 1.00855.43 C ATOM 20147 C4* A B 994 -870.805 -68.064 62.138 1.00855.43 C ATOM 20148 O4* A B 994 -870.118 -67.144 63.027 1.00855.43 O ATOM 20149 C3* A B 994 -870.308 -67.703 60.751 1.00855.43 C ATOM 20150 O3* A B 994 -871.255 -68.084 59.762 1.00855.43 O ATOM 20151 C2* A B 994 -870.119 -66.193 60.844 1.00855.43 C ATOM 20152 O2* A B 994 -871.324 -65.483 60.642 1.00855.43 O ATOM 20153 C1* A B 994 -869.658 -66.024 62.291 1.00855.43 C ATOM 20154 N9 A B 994 -868.202 -65.954 62.417 1.00855.43 N ATOM 20155 C8 A B 994 -867.305 -66.991 62.398 1.00855.43 C ATOM 20156 N7 A B 994 -866.055 -66.615 62.513 1.00855.43 N ATOM 20157 C5 A B 994 -866.134 -65.231 62.617 1.00855.43 C ATOM 20158 C6 A B 994 -865.153 -64.235 62.757 1.00855.43 C ATOM 20159 N6 A B 994 -863.841 -64.485 62.817 1.00855.43 N ATOM 20160 N1 A B 994 -865.566 -62.951 62.835 1.00855.43 N ATOM 20161 C2 A B 994 -866.879 -62.699 62.771 1.00855.43 C ATOM 20162 N3 A B 994 -867.897 -63.546 62.636 1.00855.43 N ATOM 20163 C4 A B 994 -867.452 -64.810 62.565 1.00855.43 C ATOM 20164 P A B 995 -870.780 -68.970 58.511 1.00855.43 P ATOM 20165 O1P A B 995 -871.525 -70.253 58.558 1.00855.43 O ATOM 20166 O2P A B 995 -869.296 -68.985 58.491 1.00855.43 O ATOM 20167 O5* A B 995 -871.289 -68.138 57.250 1.00855.43 O ATOM 20168 C5* A B 995 -870.808 -68.425 55.942 1.00855.43 C ATOM 20169 C4* A B 995 -870.019 -67.253 55.412 1.00855.43 C ATOM 20170 O4* A B 995 -869.247 -66.660 56.488 1.00855.43 O ATOM 20171 C3* A B 995 -869.001 -67.593 54.341 1.00855.43 C ATOM 20172 O3* A B 995 -869.601 -67.617 53.050 1.00855.43 O ATOM 20173 C2* A B 995 -867.962 -66.488 54.490 1.00855.43 C ATOM 20174 O2* A B 995 -868.326 -65.304 53.815 1.00855.43 O ATOM 20175 C1* A B 995 -867.983 -66.242 56.002 1.00855.43 C ATOM 20176 N9 A B 995 -866.958 -66.997 56.722 1.00855.43 N ATOM 20177 C8 A B 995 -866.575 -68.299 56.508 1.00855.43 C ATOM 20178 N7 A B 995 -865.631 -68.714 57.318 1.00855.43 N ATOM 20179 C5 A B 995 -865.370 -67.610 58.116 1.00855.43 C ATOM 20180 C6 A B 995 -864.470 -67.402 59.175 1.00855.43 C ATOM 20181 N6 A B 995 -863.633 -68.334 59.631 1.00855.43 N ATOM 20182 N1 A B 995 -864.459 -66.182 59.761 1.00855.43 N ATOM 20183 C2 A B 995 -865.300 -65.245 59.303 1.00855.43 C ATOM 20184 N3 A B 995 -866.193 -65.320 58.319 1.00855.43 N ATOM 20185 C4 A B 995 -866.178 -66.543 57.759 1.00855.43 C ATOM 20186 P C B 996 -868.786 -68.226 51.808 1.00855.43 P ATOM 20187 O1P C B 996 -867.439 -67.602 51.816 1.00855.43 O ATOM 20188 O2P C B 996 -869.636 -68.119 50.595 1.00855.43 O ATOM 20189 O5* C B 996 -868.619 -69.768 52.172 1.00855.43 O ATOM 20190 C5* C B 996 -867.553 -70.530 51.614 1.00855.43 C ATOM 20191 C4* C B 996 -867.794 -72.008 51.818 1.00855.43 C ATOM 20192 O4* C B 996 -867.930 -72.310 53.229 1.00855.43 O ATOM 20193 C3* C B 996 -869.052 -72.574 51.182 1.00855.43 C ATOM 20194 O3* C B 996 -868.835 -72.870 49.807 1.00855.43 O ATOM 20195 C2* C B 996 -869.312 -73.828 52.008 1.00855.43 C ATOM 20196 O2* C B 996 -868.562 -74.940 51.560 1.00855.43 O ATOM 20197 C1* C B 996 -868.815 -73.406 53.394 1.00855.43 C ATOM 20198 N1 C B 996 -869.899 -73.001 54.307 1.00855.43 N ATOM 20199 C2 C B 996 -870.079 -73.712 55.499 1.00855.43 C ATOM 20200 O2 C B 996 -869.322 -74.659 55.752 1.00855.43 O ATOM 20201 N3 C B 996 -871.072 -73.350 56.344 1.00855.43 N ATOM 20202 C4 C B 996 -871.867 -72.325 56.034 1.00855.43 C ATOM 20203 N4 C B 996 -872.836 -72.001 56.895 1.00855.43 N ATOM 20204 C5 C B 996 -871.706 -71.581 54.831 1.00855.43 C ATOM 20205 C6 C B 996 -870.721 -71.949 54.002 1.00855.43 C ATOM 20206 P C B 997 -869.989 -72.541 48.737 1.00855.43 P ATOM 20207 O1P C B 997 -869.336 -72.344 47.419 1.00855.43 O ATOM 20208 O2P C B 997 -870.847 -71.468 49.297 1.00855.43 O ATOM 20209 O5* C B 997 -870.845 -73.881 48.681 1.00855.43 O ATOM 20210 C5* C B 997 -870.834 -74.702 47.516 1.00855.43 C ATOM 20211 C4* C B 997 -872.073 -75.565 47.481 1.00855.43 C ATOM 20212 O4* C B 997 -872.130 -76.382 48.678 1.00855.43 O ATOM 20213 C3* C B 997 -873.392 -74.807 47.464 1.00855.43 C ATOM 20214 O3* C B 997 -873.763 -74.413 46.151 1.00855.43 O ATOM 20215 C2* C B 997 -874.361 -75.810 48.078 1.00855.43 C ATOM 20216 O2* C B 997 -874.827 -76.758 47.139 1.00855.43 O ATOM 20217 C1* C B 997 -873.471 -76.504 49.112 1.00855.43 C ATOM 20218 N1 C B 997 -873.580 -75.886 50.443 1.00855.43 N ATOM 20219 C2 C B 997 -874.716 -76.132 51.215 1.00855.43 C ATOM 20220 O2 C B 997 -875.601 -76.870 50.759 1.00855.43 O ATOM 20221 N3 C B 997 -874.825 -75.559 52.435 1.00855.43 N ATOM 20222 C4 C B 997 -873.846 -74.768 52.890 1.00855.43 C ATOM 20223 N4 C B 997 -873.994 -74.224 54.098 1.00855.43 N ATOM 20224 C5 C B 997 -872.675 -74.504 52.122 1.00855.43 C ATOM 20225 C6 C B 997 -872.582 -75.079 50.918 1.00855.43 C ATOM 20226 P C B 998 -874.778 -73.183 45.949 1.00855.43 P ATOM 20227 O1P C B 998 -875.093 -73.105 44.499 1.00855.43 O ATOM 20228 O2P C B 998 -874.214 -71.999 46.643 1.00855.43 O ATOM 20229 O5* C B 998 -876.099 -73.641 46.718 1.00855.43 O ATOM 20230 C5* C B 998 -877.000 -74.563 46.111 1.00855.43 C ATOM 20231 C4* C B 998 -878.245 -74.739 46.953 1.00855.43 C ATOM 20232 O4* C B 998 -877.905 -75.340 48.231 1.00855.43 O ATOM 20233 C3* C B 998 -879.032 -73.488 47.314 1.00855.43 C ATOM 20234 O3* C B 998 -879.932 -73.074 46.290 1.00855.43 O ATOM 20235 C2* C B 998 -879.806 -73.937 48.547 1.00855.43 C ATOM 20236 O2* C B 998 -880.979 -74.654 48.221 1.00855.43 O ATOM 20237 C1* C B 998 -878.807 -74.882 49.221 1.00855.43 C ATOM 20238 N1 C B 998 -878.062 -74.219 50.303 1.00855.43 N ATOM 20239 C2 C B 998 -878.648 -74.163 51.570 1.00855.43 C ATOM 20240 O2 C B 998 -879.758 -74.688 51.743 1.00855.43 O ATOM 20241 N3 C B 998 -877.997 -73.537 52.575 1.00855.43 N ATOM 20242 C4 C B 998 -876.801 -72.983 52.353 1.00855.43 C ATOM 20243 N4 C B 998 -876.200 -72.365 53.374 1.00855.43 N ATOM 20244 C5 C B 998 -876.174 -73.037 51.073 1.00855.43 C ATOM 20245 C6 C B 998 -876.834 -73.660 50.084 1.00855.43 C ATOM 20246 P A B 999 -880.246 -71.506 46.093 1.00855.43 P ATOM 20247 O1P A B 999 -881.195 -71.381 44.959 1.00855.43 O ATOM 20248 O2P A B 999 -878.953 -70.778 46.052 1.00855.43 O ATOM 20249 O5* A B 999 -881.010 -71.084 47.426 1.00855.43 O ATOM 20250 C5* A B 999 -882.409 -71.323 47.585 1.00855.43 C ATOM 20251 C4* A B 999 -882.849 -70.939 48.979 1.00855.43 C ATOM 20252 O4* A B 999 -882.019 -71.625 49.949 1.00855.43 O ATOM 20253 C3* A B 999 -882.806 -69.477 49.406 1.00855.43 C ATOM 20254 O3* A B 999 -883.961 -68.768 48.958 1.00855.43 O ATOM 20255 C2* A B 999 -882.733 -69.570 50.929 1.00855.43 C ATOM 20256 O2* A B 999 -884.001 -69.729 51.530 1.00855.43 O ATOM 20257 C1* A B 999 -881.911 -70.849 51.125 1.00855.43 C ATOM 20258 N9 A B 999 -880.489 -70.615 51.374 1.00855.43 N ATOM 20259 C8 A B 999 -879.449 -70.957 50.549 1.00855.43 C ATOM 20260 N7 A B 999 -878.269 -70.647 51.028 1.00855.43 N ATOM 20261 C5 A B 999 -878.552 -70.049 52.249 1.00855.43 C ATOM 20262 C6 A B 999 -877.728 -69.490 53.239 1.00855.43 C ATOM 20263 N6 A B 999 -876.396 -69.435 53.149 1.00855.43 N ATOM 20264 N1 A B 999 -878.325 -68.975 54.333 1.00855.43 N ATOM 20265 C2 A B 999 -879.659 -69.022 54.418 1.00855.43 C ATOM 20266 N3 A B 999 -880.543 -69.515 53.551 1.00855.43 N ATOM 20267 C4 A B 999 -879.916 -70.024 52.474 1.00855.43 C ATOM 20268 P G B1000 -883.970 -67.161 48.986 1.00855.43 P ATOM 20269 O1P G B1000 -884.943 -66.687 47.970 1.00855.43 O ATOM 20270 O2P G B1000 -882.566 -66.677 48.941 1.00855.43 O ATOM 20271 O5* G B1000 -884.572 -66.804 50.415 1.00855.43 O ATOM 20272 C5* G B1000 -884.866 -65.459 50.766 1.00855.43 C ATOM 20273 C4* G B1000 -884.774 -65.286 52.259 1.00855.43 C ATOM 20274 O4* G B1000 -883.464 -65.692 52.720 1.00855.43 O ATOM 20275 C3* G B1000 -884.977 -63.862 52.765 1.00855.43 C ATOM 20276 O3* G B1000 -886.343 -63.507 52.951 1.00855.43 O ATOM 20277 C2* G B1000 -884.243 -63.901 54.104 1.00855.43 C ATOM 20278 O2* G B1000 -885.045 -64.414 55.149 1.00855.43 O ATOM 20279 C1* G B1000 -883.108 -64.891 53.828 1.00855.43 C ATOM 20280 N9 G B1000 -881.786 -64.317 53.608 1.00855.43 N ATOM 20281 C8 G B1000 -881.280 -63.766 52.455 1.00855.43 C ATOM 20282 N7 G B1000 -880.050 -63.346 52.587 1.00855.43 N ATOM 20283 C5 G B1000 -879.729 -63.637 53.910 1.00855.43 C ATOM 20284 C6 G B1000 -878.527 -63.425 54.635 1.00855.43 C ATOM 20285 O6 G B1000 -877.467 -62.923 54.242 1.00855.43 O ATOM 20286 N1 G B1000 -878.637 -63.875 55.945 1.00855.43 N ATOM 20287 C2 G B1000 -879.755 -64.457 56.491 1.00855.43 C ATOM 20288 N2 G B1000 -879.667 -64.823 57.778 1.00855.43 N ATOM 20289 N3 G B1000 -880.876 -64.665 55.824 1.00855.43 N ATOM 20290 C4 G B1000 -880.793 -64.233 54.549 1.00855.43 C ATOM 20291 P A B1001 -886.770 -61.963 53.032 1.00855.43 P ATOM 20292 O1P A B1001 -886.527 -61.360 51.697 1.00855.43 O ATOM 20293 O2P A B1001 -886.138 -61.365 54.233 1.00855.43 O ATOM 20294 O5* A B1001 -888.341 -62.036 53.264 1.00855.43 O ATOM 20295 C5* A B1001 -889.149 -62.970 52.550 1.00855.43 C ATOM 20296 C4* A B1001 -889.845 -63.893 53.518 1.00855.43 C ATOM 20297 O4* A B1001 -888.876 -64.748 54.170 1.00855.43 O ATOM 20298 C3* A B1001 -890.577 -63.181 54.645 1.00855.43 C ATOM 20299 O3* A B1001 -891.885 -62.784 54.243 1.00855.43 O ATOM 20300 C2* A B1001 -890.585 -64.228 55.756 1.00855.43 C ATOM 20301 O2* A B1001 -891.639 -65.159 55.616 1.00855.43 O ATOM 20302 C1* A B1001 -889.256 -64.953 55.518 1.00855.43 C ATOM 20303 N9 A B1001 -888.147 -64.501 56.361 1.00855.43 N ATOM 20304 C8 A B1001 -887.633 -63.230 56.436 1.00855.43 C ATOM 20305 N7 A B1001 -886.610 -63.118 57.245 1.00855.43 N ATOM 20306 C5 A B1001 -886.441 -64.403 57.746 1.00855.43 C ATOM 20307 C6 A B1001 -885.518 -64.951 58.650 1.00855.43 C ATOM 20308 N6 A B1001 -884.544 -64.245 59.234 1.00855.43 N ATOM 20309 N1 A B1001 -885.626 -66.265 58.940 1.00855.43 N ATOM 20310 C2 A B1001 -886.598 -66.974 58.347 1.00855.43 C ATOM 20311 N3 A B1001 -887.521 -66.575 57.481 1.00855.43 N ATOM 20312 C4 A B1001 -887.388 -65.262 57.215 1.00855.43 C ATOM 20313 P C B1002 -892.392 -61.281 54.531 1.00855.43 P ATOM 20314 O1P C B1002 -893.409 -60.963 53.496 1.00855.43 O ATOM 20315 O2P C B1002 -891.223 -60.386 54.705 1.00855.43 O ATOM 20316 O5* C B1002 -893.147 -61.374 55.932 1.00855.43 O ATOM 20317 C5* C B1002 -893.092 -60.306 56.868 1.00855.43 C ATOM 20318 C4* C B1002 -894.446 -60.124 57.503 1.00855.43 C ATOM 20319 O4* C B1002 -895.440 -60.051 56.448 1.00855.43 O ATOM 20320 C3* C B1002 -894.996 -61.279 58.314 1.00855.43 C ATOM 20321 O3* C B1002 -894.434 -61.259 59.617 1.00855.43 O ATOM 20322 C2* C B1002 -896.498 -61.044 58.325 1.00855.43 C ATOM 20323 O2* C B1002 -896.902 -60.157 59.349 1.00855.43 O ATOM 20324 C1* C B1002 -896.715 -60.400 56.960 1.00855.43 C ATOM 20325 N1 C B1002 -897.342 -61.355 56.033 1.00855.43 N ATOM 20326 C2 C B1002 -898.594 -61.051 55.495 1.00855.43 C ATOM 20327 O2 C B1002 -899.128 -59.971 55.792 1.00855.43 O ATOM 20328 N3 C B1002 -899.196 -61.945 54.673 1.00855.43 N ATOM 20329 C4 C B1002 -898.587 -63.096 54.381 1.00855.43 C ATOM 20330 N4 C B1002 -899.218 -63.951 53.575 1.00855.43 N ATOM 20331 C5 C B1002 -897.301 -63.422 54.901 1.00855.43 C ATOM 20332 C6 C B1002 -896.719 -62.530 55.712 1.00855.43 C ATOM 20333 P C B1003 -894.032 -62.649 60.312 1.00855.43 P ATOM 20334 O1P C B1003 -893.026 -62.356 61.363 1.00855.43 O ATOM 20335 O2P C B1003 -893.714 -63.632 59.245 1.00855.43 O ATOM 20336 O5* C B1003 -895.385 -63.115 61.011 1.00855.43 O ATOM 20337 C5* C B1003 -895.765 -62.597 62.281 1.00855.43 C ATOM 20338 C4* C B1003 -897.151 -63.062 62.632 1.00855.43 C ATOM 20339 O4* C B1003 -898.078 -62.612 61.608 1.00855.43 O ATOM 20340 C3* C B1003 -897.400 -64.549 62.704 1.00855.43 C ATOM 20341 O3* C B1003 -896.979 -65.066 63.961 1.00855.43 O ATOM 20342 C2* C B1003 -898.906 -64.652 62.504 1.00855.43 C ATOM 20343 O2* C B1003 -899.626 -64.395 63.679 1.00855.43 O ATOM 20344 C1* C B1003 -899.177 -63.499 61.542 1.00855.43 C ATOM 20345 N1 C B1003 -899.293 -63.988 60.166 1.00855.43 N ATOM 20346 C2 C B1003 -900.557 -64.322 59.676 1.00855.43 C ATOM 20347 O2 C B1003 -901.544 -64.176 60.411 1.00855.43 O ATOM 20348 N3 C B1003 -900.671 -64.795 58.417 1.00855.43 N ATOM 20349 C4 C B1003 -899.584 -64.938 57.657 1.00855.43 C ATOM 20350 N4 C B1003 -899.739 -65.414 56.424 1.00855.43 N ATOM 20351 C5 C B1003 -898.284 -64.598 58.131 1.00855.43 C ATOM 20352 C6 C B1003 -898.188 -64.129 59.379 1.00855.43 C ATOM 20353 P A B1004 -897.018 -66.653 64.216 1.00855.43 P ATOM 20354 O1P A B1004 -896.347 -66.905 65.519 1.00855.43 O ATOM 20355 O2P A B1004 -896.546 -67.357 62.997 1.00855.43 O ATOM 20356 O5* A B1004 -898.564 -66.983 64.405 1.00855.43 O ATOM 20357 C5* A B1004 -899.041 -68.283 64.122 1.00855.43 C ATOM 20358 C4* A B1004 -900.487 -68.253 63.701 1.00855.43 C ATOM 20359 O4* A B1004 -900.723 -67.274 62.662 1.00855.43 O ATOM 20360 C3* A B1004 -901.030 -69.560 63.159 1.00855.43 C ATOM 20361 O3* A B1004 -901.373 -70.468 64.195 1.00855.43 O ATOM 20362 C2* A B1004 -902.225 -69.092 62.335 1.00855.43 C ATOM 20363 O2* A B1004 -903.374 -68.865 63.127 1.00855.43 O ATOM 20364 C1* A B1004 -901.719 -67.756 61.777 1.00855.43 C ATOM 20365 N9 A B1004 -901.101 -67.887 60.461 1.00855.43 N ATOM 20366 C8 A B1004 -899.822 -67.533 60.119 1.00855.43 C ATOM 20367 N7 A B1004 -899.521 -67.780 58.869 1.00855.43 N ATOM 20368 C5 A B1004 -900.682 -68.331 58.353 1.00855.43 C ATOM 20369 C6 A B1004 -901.012 -68.813 57.074 1.00855.43 C ATOM 20370 N6 A B1004 -900.160 -68.819 56.049 1.00855.43 N ATOM 20371 N1 A B1004 -902.258 -69.296 56.884 1.00855.43 N ATOM 20372 C2 A B1004 -903.111 -69.292 57.918 1.00855.43 C ATOM 20373 N3 A B1004 -902.918 -68.871 59.168 1.00855.43 N ATOM 20374 C4 A B1004 -901.670 -68.396 59.321 1.00855.43 C ATOM 20375 P U B1005 -900.929 -72.214 64.285 1.00851.86 P ATOM 20376 O1P U B1005 -900.848 -72.741 65.671 1.00851.86 O ATOM 20377 O2P U B1005 -899.715 -72.215 63.426 1.00851.86 O ATOM 20378 O5* U B1005 -902.099 -72.956 63.508 1.00851.86 O ATOM 20379 C5* U B1005 -902.369 -72.622 62.154 1.00851.86 C ATOM 20380 C4* U B1005 -902.891 -73.819 61.424 1.00851.86 C ATOM 20381 O4* U B1005 -903.301 -73.407 60.095 1.00851.86 O ATOM 20382 C3* U B1005 -901.878 -74.910 61.198 1.00851.86 C ATOM 20383 O3* U B1005 -901.867 -75.773 62.326 1.00851.86 O ATOM 20384 C2* U B1005 -902.385 -75.596 59.936 1.00851.86 C ATOM 20385 O2* U B1005 -903.418 -76.519 60.209 1.00851.86 O ATOM 20386 C1* U B1005 -902.959 -74.411 59.156 1.00851.86 C ATOM 20387 N1 U B1005 -901.979 -73.840 58.222 1.00851.86 N ATOM 20388 C2 U B1005 -901.968 -74.330 56.935 1.00851.86 C ATOM 20389 O2 U B1005 -902.732 -75.197 56.557 1.00851.86 O ATOM 20390 N3 U B1005 -901.026 -73.768 56.108 1.00851.86 N ATOM 20391 C4 U B1005 -900.115 -72.786 56.433 1.00851.86 C ATOM 20392 O4 U B1005 -899.338 -72.371 55.570 1.00851.86 O ATOM 20393 C5 U B1005 -900.192 -72.327 57.785 1.00851.86 C ATOM 20394 C6 U B1005 -901.102 -72.855 58.614 1.00851.86 C ATOM 20395 P C B1006 -900.497 -75.996 63.140 1.00851.86 P ATOM 20396 O1P C B1006 -900.857 -76.368 64.533 1.00851.86 O ATOM 20397 O2P C B1006 -899.601 -74.838 62.899 1.00851.86 O ATOM 20398 O5* C B1006 -899.869 -77.274 62.437 1.00851.86 O ATOM 20399 C5* C B1006 -900.683 -78.137 61.648 1.00851.86 C ATOM 20400 C4* C B1006 -900.099 -79.523 61.628 1.00851.86 C ATOM 20401 O4* C B1006 -900.050 -79.998 62.990 1.00851.86 O ATOM 20402 C3* C B1006 -900.916 -80.563 60.864 1.00851.86 C ATOM 20403 O3* C B1006 -900.515 -80.611 59.487 1.00851.86 O ATOM 20404 C2* C B1006 -900.566 -81.864 61.587 1.00851.86 C ATOM 20405 O2* C B1006 -899.393 -82.470 61.081 1.00851.86 O ATOM 20406 C1* C B1006 -900.296 -81.384 63.017 1.00851.86 C ATOM 20407 N1 C B1006 -901.339 -81.644 64.021 1.00851.86 N ATOM 20408 C2 C B1006 -901.016 -82.449 65.103 1.00851.86 C ATOM 20409 O2 C B1006 -899.885 -82.937 65.154 1.00851.86 O ATOM 20410 N3 C B1006 -901.938 -82.685 66.059 1.00851.86 N ATOM 20411 C4 C B1006 -903.158 -82.161 65.952 1.00851.86 C ATOM 20412 N4 C B1006 -904.042 -82.440 66.913 1.00851.86 N ATOM 20413 C5 C B1006 -903.523 -81.332 64.852 1.00851.86 C ATOM 20414 C6 C B1006 -902.588 -81.101 63.917 1.00851.86 C ATOM 20415 P A B1007 -901.316 -79.749 58.384 1.00851.86 P ATOM 20416 O1P A B1007 -900.882 -78.336 58.539 1.00851.86 O ATOM 20417 O2P A B1007 -902.756 -80.089 58.497 1.00851.86 O ATOM 20418 O5* A B1007 -900.787 -80.275 56.964 1.00851.86 O ATOM 20419 C5* A B1007 -901.483 -81.317 56.270 1.00851.86 C ATOM 20420 C4* A B1007 -901.634 -81.010 54.783 1.00851.86 C ATOM 20421 O4* A B1007 -902.278 -79.720 54.614 1.00851.86 O ATOM 20422 C3* A B1007 -900.358 -80.891 53.976 1.00851.86 C ATOM 20423 O3* A B1007 -899.931 -82.169 53.508 1.00851.86 O ATOM 20424 C2* A B1007 -900.789 -80.047 52.783 1.00851.86 C ATOM 20425 O2* A B1007 -901.386 -80.826 51.768 1.00851.86 O ATOM 20426 C1* A B1007 -901.823 -79.119 53.414 1.00851.86 C ATOM 20427 N9 A B1007 -901.205 -77.830 53.709 1.00851.86 N ATOM 20428 C8 A B1007 -900.527 -77.407 54.826 1.00851.86 C ATOM 20429 N7 A B1007 -900.067 -76.183 54.730 1.00851.86 N ATOM 20430 C5 A B1007 -900.478 -75.771 53.467 1.00851.86 C ATOM 20431 C6 A B1007 -900.305 -74.571 52.756 1.00851.86 C ATOM 20432 N6 A B1007 -899.649 -73.512 53.234 1.00851.86 N ATOM 20433 N1 A B1007 -900.844 -74.492 51.517 1.00851.86 N ATOM 20434 C2 A B1007 -901.502 -75.553 51.036 1.00851.86 C ATOM 20435 N3 A B1007 -901.728 -76.732 51.606 1.00851.86 N ATOM 20436 C4 A B1007 -901.185 -76.776 52.834 1.00851.86 C ATOM 20437 P G B1008 -898.377 -82.404 53.127 1.00851.86 P ATOM 20438 O1P G B1008 -898.132 -83.870 53.120 1.00851.86 O ATOM 20439 O2P G B1008 -897.520 -81.523 53.966 1.00851.86 O ATOM 20440 O5* G B1008 -898.262 -81.902 51.628 1.00851.86 O ATOM 20441 C5* G B1008 -898.738 -82.701 50.558 1.00851.86 C ATOM 20442 C4* G B1008 -898.271 -82.114 49.259 1.00851.86 C ATOM 20443 O4* G B1008 -898.751 -80.747 49.189 1.00851.86 O ATOM 20444 C3* G B1008 -896.769 -82.008 49.098 1.00851.86 C ATOM 20445 O3* G B1008 -896.252 -83.223 48.563 1.00851.86 O ATOM 20446 C2* G B1008 -896.608 -80.825 48.159 1.00851.86 C ATOM 20447 O2* G B1008 -896.787 -81.180 46.802 1.00851.86 O ATOM 20448 C1* G B1008 -897.760 -79.922 48.602 1.00851.86 C ATOM 20449 N9 G B1008 -897.342 -78.937 49.594 1.00851.86 N ATOM 20450 C8 G B1008 -897.776 -78.819 50.893 1.00851.86 C ATOM 20451 N7 G B1008 -897.202 -77.836 51.536 1.00851.86 N ATOM 20452 C5 G B1008 -896.339 -77.275 50.605 1.00851.86 C ATOM 20453 C6 G B1008 -895.445 -76.176 50.720 1.00851.86 C ATOM 20454 O6 G B1008 -895.226 -75.452 51.698 1.00851.86 O ATOM 20455 N1 G B1008 -894.760 -75.950 49.530 1.00851.86 N ATOM 20456 C2 G B1008 -894.916 -76.683 48.377 1.00851.86 C ATOM 20457 N2 G B1008 -894.174 -76.309 47.332 1.00851.86 N ATOM 20458 N3 G B1008 -895.742 -77.706 48.260 1.00851.86 N ATOM 20459 C4 G B1008 -896.417 -77.944 49.402 1.00851.86 C ATOM 20460 P C B1009 -894.769 -83.700 48.970 1.00851.86 P ATOM 20461 O1P C B1009 -894.750 -85.183 48.967 1.00851.86 O ATOM 20462 O2P C B1009 -894.353 -82.960 50.187 1.00851.86 O ATOM 20463 O5* C B1009 -893.869 -83.195 47.759 1.00851.86 O ATOM 20464 C5* C B1009 -894.404 -83.066 46.445 1.00851.86 C ATOM 20465 C4* C B1009 -893.767 -81.888 45.752 1.00851.86 C ATOM 20466 O4* C B1009 -893.930 -80.708 46.582 1.00851.86 O ATOM 20467 C3* C B1009 -892.273 -81.993 45.532 1.00851.86 C ATOM 20468 O3* C B1009 -891.998 -82.716 44.340 1.00851.86 O ATOM 20469 C2* C B1009 -891.831 -80.537 45.474 1.00851.86 C ATOM 20470 O2* C B1009 -892.018 -79.962 44.195 1.00851.86 O ATOM 20471 C1* C B1009 -892.782 -79.885 46.481 1.00851.86 C ATOM 20472 N1 C B1009 -892.210 -79.763 47.834 1.00851.86 N ATOM 20473 C2 C B1009 -891.159 -78.869 48.058 1.00851.86 C ATOM 20474 O2 C B1009 -890.723 -78.202 47.112 1.00851.86 O ATOM 20475 N3 C B1009 -890.650 -78.754 49.305 1.00851.86 N ATOM 20476 C4 C B1009 -891.144 -79.492 50.298 1.00851.86 C ATOM 20477 N4 C B1009 -890.607 -79.341 51.515 1.00851.86 N ATOM 20478 C5 C B1009 -892.207 -80.415 50.098 1.00851.86 C ATOM 20479 C6 C B1009 -892.705 -80.518 48.859 1.00851.86 C ATOM 20480 P U B1010 -890.508 -83.227 44.058 1.00851.86 P ATOM 20481 O1P U B1010 -890.539 -84.063 42.828 1.00851.86 O ATOM 20482 O2P U B1010 -889.960 -83.799 45.316 1.00851.86 O ATOM 20483 O5* U B1010 -889.723 -81.885 43.733 1.00851.86 O ATOM 20484 C5* U B1010 -888.314 -81.804 43.890 1.00851.86 C ATOM 20485 C4* U B1010 -887.875 -80.360 43.882 1.00851.86 C ATOM 20486 O4* U B1010 -888.623 -79.607 44.870 1.00851.86 O ATOM 20487 C3* U B1010 -886.419 -80.100 44.221 1.00851.86 C ATOM 20488 O3* U B1010 -885.588 -80.286 43.081 1.00851.86 O ATOM 20489 C2* U B1010 -886.440 -78.660 44.715 1.00851.86 C ATOM 20490 O2* U B1010 -886.408 -77.724 43.654 1.00851.86 O ATOM 20491 C1* U B1010 -887.802 -78.584 45.416 1.00851.86 C ATOM 20492 N1 U B1010 -887.744 -78.781 46.873 1.00851.86 N ATOM 20493 C2 U B1010 -887.683 -77.664 47.700 1.00851.86 C ATOM 20494 O2 U B1010 -887.673 -76.519 47.286 1.00851.86 O ATOM 20495 N3 U B1010 -887.635 -77.943 49.045 1.00851.86 N ATOM 20496 C4 U B1010 -887.639 -79.181 49.639 1.00851.86 C ATOM 20497 O4 U B1010 -887.597 -79.262 50.867 1.00851.86 O ATOM 20498 C5 U B1010 -887.707 -80.282 48.726 1.00851.86 C ATOM 20499 C6 U B1010 -887.754 -80.050 47.409 1.00851.86 C ATOM 20500 P A B1011 -884.248 -81.159 43.208 1.00851.86 P ATOM 20501 O1P A B1011 -883.624 -81.221 41.862 1.00851.86 O ATOM 20502 O2P A B1011 -884.566 -82.416 43.928 1.00851.86 O ATOM 20503 O5* A B1011 -883.320 -80.260 44.142 1.00851.86 O ATOM 20504 C5* A B1011 -882.284 -79.464 43.575 1.00851.86 C ATOM 20505 C4* A B1011 -881.398 -78.921 44.667 1.00851.86 C ATOM 20506 O4* A B1011 -882.173 -78.126 45.599 1.00851.86 O ATOM 20507 C3* A B1011 -880.627 -79.892 45.560 1.00851.86 C ATOM 20508 O3* A B1011 -879.470 -80.414 44.923 1.00851.86 O ATOM 20509 C2* A B1011 -880.310 -79.032 46.778 1.00851.86 C ATOM 20510 O2* A B1011 -879.172 -78.218 46.589 1.00851.86 O ATOM 20511 C1* A B1011 -881.559 -78.154 46.876 1.00851.86 C ATOM 20512 N9 A B1011 -882.543 -78.646 47.839 1.00851.86 N ATOM 20513 C8 A B1011 -883.618 -79.463 47.590 1.00851.86 C ATOM 20514 N7 A B1011 -884.340 -79.726 48.653 1.00851.86 N ATOM 20515 C5 A B1011 -883.692 -79.043 49.671 1.00851.86 C ATOM 20516 C6 A B1011 -883.961 -78.918 51.044 1.00851.86 C ATOM 20517 N6 A B1011 -884.999 -79.500 51.651 1.00851.86 N ATOM 20518 N1 A B1011 -883.118 -78.167 51.787 1.00851.86 N ATOM 20519 C2 A B1011 -882.078 -77.582 51.173 1.00851.86 C ATOM 20520 N3 A B1011 -881.726 -77.619 49.891 1.00851.86 N ATOM 20521 C4 A B1011 -882.584 -78.375 49.184 1.00851.86 C ATOM 20522 P A B1012 -878.809 -81.769 45.473 1.00851.86 P ATOM 20523 O1P A B1012 -877.690 -82.131 44.566 1.00851.86 O ATOM 20524 O2P A B1012 -879.895 -82.749 45.725 1.00851.86 O ATOM 20525 O5* A B1012 -878.192 -81.337 46.875 1.00851.86 O ATOM 20526 C5* A B1012 -877.099 -80.430 46.941 1.00851.86 C ATOM 20527 C4* A B1012 -876.911 -79.957 48.361 1.00851.86 C ATOM 20528 O4* A B1012 -878.148 -79.374 48.843 1.00851.86 O ATOM 20529 C3* A B1012 -876.596 -81.048 49.361 1.00851.86 C ATOM 20530 O3* A B1012 -875.206 -81.354 49.345 1.00851.86 O ATOM 20531 C2* A B1012 -877.078 -80.452 50.675 1.00851.86 C ATOM 20532 O2* A B1012 -876.136 -79.572 51.252 1.00851.86 O ATOM 20533 C1* A B1012 -878.311 -79.668 50.220 1.00851.86 C ATOM 20534 N9 A B1012 -879.540 -80.450 50.362 1.00851.86 N ATOM 20535 C8 A B1012 -880.146 -81.217 49.396 1.00851.86 C ATOM 20536 N7 A B1012 -881.230 -81.827 49.808 1.00851.86 N ATOM 20537 C5 A B1012 -881.349 -81.433 51.132 1.00851.86 C ATOM 20538 C6 A B1012 -882.294 -81.741 52.123 1.00851.86 C ATOM 20539 N6 A B1012 -883.326 -82.563 51.929 1.00851.86 N ATOM 20540 N1 A B1012 -882.133 -81.174 53.338 1.00851.86 N ATOM 20541 C2 A B1012 -881.084 -80.361 53.532 1.00851.86 C ATOM 20542 N3 A B1012 -880.129 -79.999 52.683 1.00851.86 N ATOM 20543 C4 A B1012 -880.319 -80.578 51.484 1.00851.86 C ATOM 20544 P G B1013 -874.735 -82.888 49.436 1.00851.86 P ATOM 20545 O1P G B1013 -873.259 -82.896 49.570 1.00851.86 O ATOM 20546 O2P G B1013 -875.378 -83.637 48.325 1.00851.86 O ATOM 20547 O5* G B1013 -875.363 -83.401 50.811 1.00851.86 O ATOM 20548 C5* G B1013 -874.902 -82.883 52.053 1.00851.86 C ATOM 20549 C4* G B1013 -875.860 -83.232 53.167 1.00851.86 C ATOM 20550 O4* G B1013 -877.170 -82.680 52.879 1.00851.86 O ATOM 20551 C3* G B1013 -876.062 -84.706 53.376 1.00851.86 C ATOM 20552 O3* G B1013 -875.124 -85.095 54.372 1.00851.86 O ATOM 20553 C2* G B1013 -877.493 -84.816 53.884 1.00851.86 C ATOM 20554 O2* G B1013 -877.587 -84.639 55.284 1.00851.86 O ATOM 20555 C1* G B1013 -878.167 -83.646 53.173 1.00851.86 C ATOM 20556 N9 G B1013 -878.797 -84.072 51.930 1.00851.86 N ATOM 20557 C8 G B1013 -878.273 -84.027 50.658 1.00851.86 C ATOM 20558 N7 G B1013 -879.083 -84.505 49.754 1.00851.86 N ATOM 20559 C5 G B1013 -880.209 -84.886 50.469 1.00851.86 C ATOM 20560 C6 G B1013 -881.426 -85.476 50.030 1.00851.86 C ATOM 20561 O6 G B1013 -881.764 -85.784 48.880 1.00851.86 O ATOM 20562 N1 G B1013 -882.296 -85.700 51.093 1.00851.86 N ATOM 20563 C2 G B1013 -882.031 -85.402 52.408 1.00851.86 C ATOM 20564 N2 G B1013 -882.990 -85.703 53.294 1.00851.86 N ATOM 20565 N3 G B1013 -880.906 -84.851 52.825 1.00851.86 N ATOM 20566 C4 G B1013 -880.047 -84.624 51.813 1.00851.86 C ATOM 20567 P G B1014 -874.714 -86.643 54.509 1.00851.86 P ATOM 20568 O1P G B1014 -874.045 -86.817 55.820 1.00851.86 O ATOM 20569 O2P G B1014 -874.009 -87.045 53.264 1.00851.86 O ATOM 20570 O5* G B1014 -876.112 -87.405 54.552 1.00851.86 O ATOM 20571 C5* G B1014 -876.232 -88.752 54.088 1.00851.86 C ATOM 20572 C4* G B1014 -877.624 -89.271 54.361 1.00851.86 C ATOM 20573 O4* G B1014 -878.601 -88.345 53.822 1.00851.86 O ATOM 20574 C3* G B1014 -877.988 -90.591 53.720 1.00851.86 C ATOM 20575 O3* G B1014 -877.516 -91.691 54.483 1.00851.86 O ATOM 20576 C2* G B1014 -879.510 -90.538 53.680 1.00851.86 C ATOM 20577 O2* G B1014 -880.063 -90.884 54.932 1.00851.86 O ATOM 20578 C1* G B1014 -879.755 -89.051 53.402 1.00851.86 C ATOM 20579 N9 G B1014 -879.944 -88.788 51.979 1.00851.86 N ATOM 20580 C8 G B1014 -879.082 -88.115 51.149 1.00851.86 C ATOM 20581 N7 G B1014 -879.499 -88.049 49.916 1.00851.86 N ATOM 20582 C5 G B1014 -880.718 -88.714 49.929 1.00851.86 C ATOM 20583 C6 G B1014 -881.644 -88.962 48.879 1.00851.86 C ATOM 20584 O6 G B1014 -881.562 -88.635 47.688 1.00851.86 O ATOM 20585 N1 G B1014 -882.751 -89.668 49.330 1.00851.86 N ATOM 20586 C2 G B1014 -882.950 -90.085 50.623 1.00851.86 C ATOM 20587 N2 G B1014 -884.088 -90.755 50.857 1.00851.86 N ATOM 20588 N3 G B1014 -882.097 -89.859 51.614 1.00851.86 N ATOM 20589 C4 G B1014 -881.011 -89.174 51.196 1.00851.86 C ATOM 20590 P U B1015 -877.298 -93.114 53.768 1.00851.86 P ATOM 20591 O1P U B1015 -876.790 -94.059 54.795 1.00851.86 O ATOM 20592 O2P U B1015 -876.510 -92.887 52.527 1.00851.86 O ATOM 20593 O5* U B1015 -878.764 -93.577 53.348 1.00851.86 O ATOM 20594 C5* U B1015 -879.781 -93.771 54.327 1.00851.86 C ATOM 20595 C4* U B1015 -881.076 -94.193 53.670 1.00851.86 C ATOM 20596 O4* U B1015 -881.422 -93.247 52.626 1.00851.86 O ATOM 20597 C3* U B1015 -881.151 -95.513 52.911 1.00851.86 C ATOM 20598 O3* U B1015 -881.331 -96.583 53.828 1.00851.86 O ATOM 20599 C2* U B1015 -882.359 -95.345 51.997 1.00851.86 C ATOM 20600 O2* U B1015 -883.572 -95.707 52.629 1.00851.86 O ATOM 20601 C1* U B1015 -882.353 -93.838 51.734 1.00851.86 C ATOM 20602 N1 U B1015 -881.958 -93.493 50.364 1.00851.86 N ATOM 20603 C2 U B1015 -882.960 -93.322 49.427 1.00851.86 C ATOM 20604 O2 U B1015 -884.143 -93.441 49.694 1.00851.86 O ATOM 20605 N3 U B1015 -882.525 -93.004 48.163 1.00851.86 N ATOM 20606 C4 U B1015 -881.218 -92.846 47.753 1.00851.86 C ATOM 20607 O4 U B1015 -880.983 -92.570 46.574 1.00851.86 O ATOM 20608 C5 U B1015 -880.240 -93.039 48.779 1.00851.86 C ATOM 20609 C6 U B1015 -880.635 -93.348 50.019 1.00851.86 C ATOM 20610 P C B1016 -880.129 -97.625 54.080 1.00851.86 P ATOM 20611 O1P C B1016 -878.860 -96.856 54.044 1.00851.86 O ATOM 20612 O2P C B1016 -880.317 -98.779 53.162 1.00851.86 O ATOM 20613 O5* C B1016 -880.366 -98.130 55.572 1.00851.86 O ATOM 20614 C5* C B1016 -881.482 -98.950 55.896 1.00851.86 C ATOM 20615 C4* C B1016 -881.446 -99.328 57.357 1.00851.86 C ATOM 20616 O4* C B1016 -880.204-100.024 57.636 1.00851.86 O ATOM 20617 C3* C B1016 -881.477 -98.181 58.365 1.00851.86 C ATOM 20618 O3* C B1016 -882.797 -97.727 58.647 1.00851.86 O ATOM 20619 C2* C B1016 -880.817 -98.807 59.590 1.00851.86 C ATOM 20620 O2* C B1016 -881.721 -99.590 60.339 1.00851.86 O ATOM 20621 C1* C B1016 -879.778 -99.734 58.954 1.00851.86 C ATOM 20622 N1 C B1016 -878.431 -99.149 58.883 1.00851.86 N ATOM 20623 C2 C B1016 -877.459 -99.575 59.796 1.00851.86 C ATOM 20624 O2 C B1016 -877.766-100.428 60.645 1.00851.86 O ATOM 20625 N3 C B1016 -876.212 -99.053 59.729 1.00851.86 N ATOM 20626 C4 C B1016 -875.925 -98.135 58.806 1.00851.86 C ATOM 20627 N4 C B1016 -874.682 -97.649 58.774 1.00851.86 N ATOM 20628 C5 C B1016 -876.895 -97.676 57.870 1.00851.86 C ATOM 20629 C6 C B1016 -878.125 -98.202 57.945 1.00851.86 C ATOM 20630 P C B1017 -883.015 -96.317 59.391 1.00851.86 P ATOM 20631 O1P C B1017 -884.460 -95.989 59.304 1.00851.86 O ATOM 20632 O2P C B1017 -882.012 -95.352 58.872 1.00851.86 O ATOM 20633 O5* C B1017 -882.671 -96.619 60.919 1.00851.86 O ATOM 20634 C5* C B1017 -883.474 -97.509 61.686 1.00851.86 C ATOM 20635 C4* C B1017 -882.852 -97.727 63.045 1.00851.86 C ATOM 20636 O4* C B1017 -881.567 -98.373 62.873 1.00851.86 O ATOM 20637 C3* C B1017 -882.524 -96.495 63.853 1.00851.86 C ATOM 20638 O3* C B1017 -883.677 -96.082 64.582 1.00851.86 O ATOM 20639 C2* C B1017 -881.423 -96.972 64.791 1.00851.86 C ATOM 20640 O2* C B1017 -881.953 -97.603 65.938 1.00851.86 O ATOM 20641 C1* C B1017 -880.698 -98.008 63.929 1.00851.86 C ATOM 20642 N1 C B1017 -879.448 -97.507 63.337 1.00851.86 N ATOM 20643 C2 C B1017 -878.267 -97.592 64.080 1.00851.86 C ATOM 20644 O2 C B1017 -878.308 -98.086 65.214 1.00851.86 O ATOM 20645 N3 C B1017 -877.113 -97.134 63.541 1.00851.86 N ATOM 20646 C4 C B1017 -877.113 -96.604 62.315 1.00851.86 C ATOM 20647 N4 C B1017 -875.951 -96.164 61.822 1.00851.86 N ATOM 20648 C5 C B1017 -878.301 -96.508 61.534 1.00851.86 C ATOM 20649 C6 C B1017 -879.434 -96.967 62.079 1.00851.86 C ATOM 20650 P C B1018 -884.030 -94.518 64.697 1.00851.86 P ATOM 20651 O1P C B1018 -885.500 -94.390 64.538 1.00851.86 O ATOM 20652 O2P C B1018 -883.126 -93.761 63.797 1.00851.86 O ATOM 20653 O5* C B1018 -883.669 -94.151 66.203 1.00851.86 O ATOM 20654 C5* C B1018 -883.854 -95.101 67.245 1.00851.86 C ATOM 20655 C4* C B1018 -882.909 -94.827 68.392 1.00851.86 C ATOM 20656 O4* C B1018 -881.558 -95.203 68.031 1.00851.86 O ATOM 20657 C3* C B1018 -882.844 -93.349 68.704 1.00851.86 C ATOM 20658 O3* C B1018 -883.872 -92.968 69.607 1.00851.86 O ATOM 20659 C2* C B1018 -881.453 -93.193 69.303 1.00851.86 C ATOM 20660 O2* C B1018 -881.402 -93.528 70.675 1.00851.86 O ATOM 20661 C1* C B1018 -880.654 -94.215 68.495 1.00851.86 C ATOM 20662 N1 C B1018 -880.009 -93.567 67.348 1.00851.86 N ATOM 20663 C2 C B1018 -878.839 -92.850 67.579 1.00851.86 C ATOM 20664 O2 C B1018 -878.366 -92.847 68.726 1.00851.86 O ATOM 20665 N3 C B1018 -878.255 -92.182 66.563 1.00851.86 N ATOM 20666 C4 C B1018 -878.795 -92.232 65.339 1.00851.86 C ATOM 20667 N4 C B1018 -878.192 -91.543 64.365 1.00851.86 N ATOM 20668 C5 C B1018 -879.978 -92.985 65.065 1.00851.86 C ATOM 20669 C6 C B1018 -880.546 -93.633 66.091 1.00851.86 C ATOM 20670 P U B1019 -885.092 -92.071 69.070 1.00851.86 P ATOM 20671 O1P U B1019 -884.758 -90.652 69.344 1.00851.86 O ATOM 20672 O2P U B1019 -886.347 -92.648 69.617 1.00851.86 O ATOM 20673 O5* U B1019 -885.104 -92.288 67.492 1.00851.86 O ATOM 20674 C5* U B1019 -886.286 -92.017 66.742 1.00851.86 C ATOM 20675 C4* U B1019 -886.041 -90.919 65.728 1.00851.86 C ATOM 20676 O4* U B1019 -885.359 -89.799 66.350 1.00851.86 O ATOM 20677 C3* U B1019 -885.190 -91.299 64.528 1.00851.86 C ATOM 20678 O3* U B1019 -886.020 -91.855 63.514 1.00851.86 O ATOM 20679 C2* U B1019 -884.608 -89.960 64.090 1.00851.86 C ATOM 20680 O2* U B1019 -885.494 -89.231 63.263 1.00851.86 O ATOM 20681 C1* U B1019 -884.443 -89.236 65.428 1.00851.86 C ATOM 20682 N1 U B1019 -883.083 -89.367 65.971 1.00851.86 N ATOM 20683 C2 U B1019 -882.074 -88.669 65.334 1.00851.86 C ATOM 20684 O2 U B1019 -882.273 -87.955 64.366 1.00851.86 O ATOM 20685 N3 U B1019 -880.825 -88.837 65.872 1.00851.86 N ATOM 20686 C4 U B1019 -880.486 -89.615 66.961 1.00851.86 C ATOM 20687 O4 U B1019 -879.310 -89.679 67.320 1.00851.86 O ATOM 20688 C5 U B1019 -881.591 -90.299 67.568 1.00851.86 C ATOM 20689 C6 U B1019 -882.817 -90.153 67.066 1.00851.86 C ATOM 20690 P A B1020 -885.358 -92.350 62.134 1.00851.86 P ATOM 20691 O1P A B1020 -885.784 -93.754 61.911 1.00851.86 O ATOM 20692 O2P A B1020 -883.908 -92.020 62.169 1.00851.86 O ATOM 20693 O5* A B1020 -886.048 -91.442 61.023 1.00851.86 O ATOM 20694 C5* A B1020 -887.462 -91.400 60.899 1.00851.86 C ATOM 20695 C4* A B1020 -887.860 -90.811 59.567 1.00851.86 C ATOM 20696 O4* A B1020 -887.453 -89.425 59.509 1.00851.86 O ATOM 20697 C3* A B1020 -887.204 -91.467 58.383 1.00851.86 C ATOM 20698 O3* A B1020 -888.003 -92.585 57.998 1.00851.86 O ATOM 20699 C2* A B1020 -887.186 -90.361 57.334 1.00851.86 C ATOM 20700 O2* A B1020 -888.404 -90.271 56.620 1.00851.86 O ATOM 20701 C1* A B1020 -887.007 -89.114 58.202 1.00851.86 C ATOM 20702 N9 A B1020 -885.621 -88.664 58.310 1.00851.86 N ATOM 20703 C8 A B1020 -884.631 -89.229 59.078 1.00851.86 C ATOM 20704 N7 A B1020 -883.480 -88.611 58.997 1.00851.86 N ATOM 20705 C5 A B1020 -883.723 -87.568 58.115 1.00851.86 C ATOM 20706 C6 A B1020 -882.903 -86.544 57.616 1.00851.86 C ATOM 20707 N6 A B1020 -881.619 -86.397 57.948 1.00851.86 N ATOM 20708 N1 A B1020 -883.454 -85.663 56.751 1.00851.86 N ATOM 20709 C2 A B1020 -884.741 -85.810 56.419 1.00851.86 C ATOM 20710 N3 A B1020 -885.616 -86.730 56.826 1.00851.86 N ATOM 20711 C4 A B1020 -885.038 -87.589 57.683 1.00851.86 C ATOM 20712 P A B1021 -887.326 -94.035 57.826 1.00851.86 P ATOM 20713 O1P A B1021 -888.277 -95.036 58.360 1.00851.86 O ATOM 20714 O2P A B1021 -885.943 -93.969 58.366 1.00851.86 O ATOM 20715 O5* A B1021 -887.239 -94.231 56.249 1.00851.86 O ATOM 20716 C5* A B1021 -888.260 -93.730 55.388 1.00851.86 C ATOM 20717 C4* A B1021 -887.635 -93.021 54.213 1.00851.86 C ATOM 20718 O4* A B1021 -887.069 -91.770 54.671 1.00851.86 O ATOM 20719 C3* A B1021 -886.467 -93.783 53.609 1.00851.86 C ATOM 20720 O3* A B1021 -886.904 -94.716 52.631 1.00851.86 O ATOM 20721 C2* A B1021 -885.602 -92.671 53.034 1.00851.86 C ATOM 20722 O2* A B1021 -886.061 -92.237 51.770 1.00851.86 O ATOM 20723 C1* A B1021 -885.812 -91.559 54.061 1.00851.86 C ATOM 20724 N9 A B1021 -884.807 -91.586 55.119 1.00851.86 N ATOM 20725 C8 A B1021 -884.641 -92.554 56.080 1.00851.86 C ATOM 20726 N7 A B1021 -883.650 -92.319 56.903 1.00851.86 N ATOM 20727 C5 A B1021 -883.124 -91.118 56.453 1.00851.86 C ATOM 20728 C6 A B1021 -882.056 -90.331 56.902 1.00851.86 C ATOM 20729 N6 A B1021 -881.284 -90.649 57.945 1.00851.86 N ATOM 20730 N1 A B1021 -881.796 -89.185 56.235 1.00851.86 N ATOM 20731 C2 A B1021 -882.568 -88.865 55.189 1.00851.86 C ATOM 20732 N3 A B1021 -883.597 -89.522 54.669 1.00851.86 N ATOM 20733 C4 A B1021 -883.830 -90.652 55.357 1.00851.86 C ATOM 20734 P A B1022 -887.488 -96.138 53.097 1.00851.86 P ATOM 20735 O1P A B1022 -888.968 -96.048 53.033 1.00851.86 O ATOM 20736 O2P A B1022 -886.833 -96.513 54.376 1.00851.86 O ATOM 20737 O5* A B1022 -886.997 -97.153 51.970 1.00851.86 O ATOM 20738 C5* A B1022 -885.676 -97.688 51.999 1.00851.86 C ATOM 20739 C4* A B1022 -885.472 -98.635 50.841 1.00851.86 C ATOM 20740 O4* A B1022 -885.626 -97.924 49.583 1.00851.86 O ATOM 20741 C3* A B1022 -884.085 -99.232 50.747 1.00851.86 C ATOM 20742 O3* A B1022 -883.977-100.350 51.622 1.00851.86 O ATOM 20743 C2* A B1022 -883.966 -99.614 49.276 1.00851.86 C ATOM 20744 O2* A B1022 -884.535-100.877 48.996 1.00851.86 O ATOM 20745 C1* A B1022 -884.799 -98.519 48.600 1.00851.86 C ATOM 20746 N9 A B1022 -883.996 -97.467 47.974 1.00851.86 N ATOM 20747 C8 A B1022 -882.947 -96.763 48.520 1.00851.86 C ATOM 20748 N7 A B1022 -882.424 -95.881 47.705 1.00851.86 N ATOM 20749 C5 A B1022 -883.177 -96.005 46.546 1.00851.86 C ATOM 20750 C6 A B1022 -883.125 -95.346 45.301 1.00851.86 C ATOM 20751 N6 A B1022 -882.244 -94.386 45.005 1.00851.86 N ATOM 20752 N1 A B1022 -884.021 -95.708 44.360 1.00851.86 N ATOM 20753 C2 A B1022 -884.906 -96.673 44.653 1.00851.86 C ATOM 20754 N3 A B1022 -885.053 -97.367 45.782 1.00851.86 N ATOM 20755 C4 A B1022 -884.148 -96.981 46.698 1.00851.86 C ATOM 20756 P U B1023 -883.457-100.139 53.127 1.00851.86 P ATOM 20757 O1P U B1023 -884.413-100.823 54.033 1.00851.86 O ATOM 20758 O2P U B1023 -883.163 -98.698 53.323 1.00851.86 O ATOM 20759 O5* U B1023 -882.083-100.937 53.171 1.00851.86 O ATOM 20760 C5* U B1023 -881.976-102.240 52.610 1.00851.86 C ATOM 20761 C4* U B1023 -880.637-102.409 51.945 1.00851.86 C ATOM 20762 O4* U B1023 -879.589-102.218 52.921 1.00851.86 O ATOM 20763 C3* U B1023 -880.373-103.788 51.364 1.00851.86 C ATOM 20764 O3* U B1023 -880.880-103.878 50.053 1.00851.86 O ATOM 20765 C2* U B1023 -878.855-103.879 51.371 1.00851.86 C ATOM 20766 O2* U B1023 -878.258-103.247 50.256 1.00851.86 O ATOM 20767 C1* U B1023 -878.516-103.089 52.631 1.00851.86 C ATOM 20768 N1 U B1023 -878.281-103.957 53.787 1.00851.86 N ATOM 20769 C2 U B1023 -877.077-104.610 53.824 1.00851.86 C ATOM 20770 O2 U B1023 -876.259-104.550 52.929 1.00851.86 O ATOM 20771 N3 U B1023 -876.859-105.348 54.942 1.00851.86 N ATOM 20772 C4 U B1023 -877.693-105.501 56.007 1.00851.86 C ATOM 20773 O4 U B1023 -877.213-105.932 57.034 1.00851.86 O ATOM 20774 C5 U B1023 -878.961-104.842 55.878 1.00851.86 C ATOM 20775 C6 U B1023 -879.201-104.103 54.796 1.00851.86 C ATOM 20776 P G B1024 -882.138-104.822 49.760 1.00851.86 P ATOM 20777 O1P G B1024 -883.241-104.373 50.645 1.00851.86 O ATOM 20778 O2P G B1024 -881.684-106.233 49.807 1.00851.86 O ATOM 20779 O5* G B1024 -882.514-104.458 48.260 1.00851.86 O ATOM 20780 C5* G B1024 -882.846-103.122 47.888 1.00851.86 C ATOM 20781 C4* G B1024 -883.060-103.064 46.403 1.00851.86 C ATOM 20782 O4* G B1024 -883.589-101.781 45.986 1.00851.86 O ATOM 20783 C3* G B1024 -881.811-103.247 45.571 1.00851.86 C ATOM 20784 O3* G B1024 -881.501-104.630 45.483 1.00851.86 O ATOM 20785 C2* G B1024 -882.205-102.631 44.235 1.00851.86 C ATOM 20786 O2* G B1024 -882.918-103.532 43.414 1.00851.86 O ATOM 20787 C1* G B1024 -883.130-101.493 44.672 1.00851.86 C ATOM 20788 N9 G B1024 -882.453-100.196 44.672 1.00851.86 N ATOM 20789 C8 G B1024 -881.784 -99.595 45.712 1.00851.86 C ATOM 20790 N7 G B1024 -881.277 -98.436 45.390 1.00851.86 N ATOM 20791 C5 G B1024 -881.636 -98.260 44.061 1.00851.86 C ATOM 20792 C6 G B1024 -881.372 -97.184 43.163 1.00851.86 C ATOM 20793 O6 G B1024 -880.747 -96.138 43.372 1.00851.86 O ATOM 20794 N1 G B1024 -881.926 -97.418 41.909 1.00851.86 N ATOM 20795 C2 G B1024 -882.639 -98.533 41.556 1.00851.86 C ATOM 20796 N2 G B1024 -883.089 -98.569 40.292 1.00851.86 N ATOM 20797 N3 G B1024 -882.891 -99.541 42.378 1.00851.86 N ATOM 20798 C4 G B1024 -882.365 -99.336 43.602 1.00851.86 C ATOM 20799 P A B1025 -879.975-105.078 45.279 1.00851.86 P ATOM 20800 O1P A B1025 -879.878-106.515 45.638 1.00851.86 O ATOM 20801 O2P A B1025 -879.096-104.092 45.956 1.00851.86 O ATOM 20802 O5* A B1025 -879.773-104.936 43.708 1.00851.86 O ATOM 20803 C5* A B1025 -880.610-105.659 42.814 1.00851.86 C ATOM 20804 C4* A B1025 -880.536-105.067 41.430 1.00851.86 C ATOM 20805 O4* A B1025 -881.127-103.742 41.395 1.00851.86 O ATOM 20806 C3* A B1025 -879.146-104.884 40.860 1.00851.86 C ATOM 20807 O3* A B1025 -878.686-106.110 40.310 1.00851.86 O ATOM 20808 C2* A B1025 -879.360-103.812 39.796 1.00851.86 C ATOM 20809 O2* A B1025 -879.826-104.347 38.575 1.00851.86 O ATOM 20810 C1* A B1025 -880.457-102.952 40.428 1.00851.86 C ATOM 20811 N9 A B1025 -879.932-101.750 41.073 1.00851.86 N ATOM 20812 C8 A B1025 -879.457-101.597 42.353 1.00851.86 C ATOM 20813 N7 A B1025 -879.034-100.385 42.619 1.00851.86 N ATOM 20814 C5 A B1025 -879.244 -99.691 41.433 1.00851.86 C ATOM 20815 C6 A B1025 -879.001 -98.353 41.061 1.00851.86 C ATOM 20816 N6 A B1025 -878.467 -97.441 41.872 1.00851.86 N ATOM 20817 N1 A B1025 -879.329 -97.983 39.802 1.00851.86 N ATOM 20818 C2 A B1025 -879.863 -98.900 38.982 1.00851.86 C ATOM 20819 N3 A B1025 -880.135-100.183 39.218 1.00851.86 N ATOM 20820 C4 A B1025 -879.800-100.519 40.477 1.00851.86 C ATOM 20821 P U B1026 -877.293-106.725 40.821 1.00851.86 P ATOM 20822 O1P U B1026 -877.481-108.188 40.988 1.00851.86 O ATOM 20823 O2P U B1026 -876.814-105.910 41.966 1.00851.86 O ATOM 20824 O5* U B1026 -876.314-106.485 39.591 1.00851.86 O ATOM 20825 C5* U B1026 -876.564-107.113 38.339 1.00851.86 C ATOM 20826 C4* U B1026 -875.446-106.823 37.369 1.00851.86 C ATOM 20827 O4* U B1026 -875.464-105.434 36.957 1.00851.86 O ATOM 20828 C3* U B1026 -874.031-107.064 37.880 1.00851.86 C ATOM 20829 O3* U B1026 -873.669-108.437 37.790 1.00851.86 O ATOM 20830 C2* U B1026 -873.192-106.179 36.958 1.00851.86 C ATOM 20831 O2* U B1026 -872.868-106.822 35.742 1.00851.86 O ATOM 20832 C1* U B1026 -874.144-105.011 36.671 1.00851.86 C ATOM 20833 N1 U B1026 -873.857-103.779 37.421 1.00851.86 N ATOM 20834 C2 U B1026 -873.064-102.826 36.800 1.00851.86 C ATOM 20835 O2 U B1026 -872.599-102.976 35.685 1.00851.86 O ATOM 20836 N3 U B1026 -872.838-101.691 37.536 1.00851.86 N ATOM 20837 C4 U B1026 -873.309-101.414 38.802 1.00851.86 C ATOM 20838 O4 U B1026 -873.025-100.339 39.330 1.00851.86 O ATOM 20839 C5 U B1026 -874.115-102.450 39.377 1.00851.86 C ATOM 20840 C6 U B1026 -874.357-103.569 38.684 1.00851.86 C ATOM 20841 P C B1027 -872.846-109.117 38.987 1.00851.86 P ATOM 20842 O1P C B1027 -872.462-110.481 38.538 1.00851.86 O ATOM 20843 O2P C B1027 -873.615-108.948 40.247 1.00851.86 O ATOM 20844 O5* C B1027 -871.526-108.234 39.078 1.00851.86 O ATOM 20845 C5* C B1027 -870.634-108.154 37.972 1.00851.86 C ATOM 20846 C4* C B1027 -869.559-107.130 38.238 1.00851.86 C ATOM 20847 O4* C B1027 -870.147-105.828 38.504 1.00851.86 O ATOM 20848 C3* C B1027 -868.631-107.286 39.441 1.00851.86 C ATOM 20849 O3* C B1027 -867.623-108.239 39.135 1.00851.86 O ATOM 20850 C2* C B1027 -868.061-105.887 39.659 1.00851.86 C ATOM 20851 O2* C B1027 -866.889-105.654 38.905 1.00851.86 O ATOM 20852 C1* C B1027 -869.191-104.994 39.136 1.00851.86 C ATOM 20853 N1 C B1027 -869.866-104.229 40.197 1.00851.86 N ATOM 20854 C2 C B1027 -869.598-102.855 40.314 1.00851.86 C ATOM 20855 O2 C B1027 -868.803-102.325 39.524 1.00851.86 O ATOM 20856 N3 C B1027 -870.214-102.144 41.285 1.00851.86 N ATOM 20857 C4 C B1027 -871.061-102.749 42.120 1.00851.86 C ATOM 20858 N4 C B1027 -871.648-102.006 43.062 1.00851.86 N ATOM 20859 C5 C B1027 -871.348-104.141 42.026 1.00851.86 C ATOM 20860 C6 C B1027 -870.735-104.836 41.058 1.00851.86 C ATOM 20861 P G B1028 -866.655-108.763 40.304 1.00851.86 P ATOM 20862 O1P G B1028 -866.756-110.244 40.347 1.00851.86 O ATOM 20863 O2P G B1028 -866.931-107.971 41.532 1.00851.86 O ATOM 20864 O5* G B1028 -865.207-108.371 39.773 1.00851.86 O ATOM 20865 C5* G B1028 -864.166-108.020 40.672 1.00851.86 C ATOM 20866 C4* G B1028 -863.555-106.703 40.264 1.00851.86 C ATOM 20867 O4* G B1028 -864.584-105.683 40.195 1.00851.86 O ATOM 20868 C3* G B1028 -862.536-106.145 41.221 1.00851.86 C ATOM 20869 O3* G B1028 -861.276-106.741 40.937 1.00851.86 O ATOM 20870 C2* G B1028 -862.572-104.648 40.933 1.00851.86 C ATOM 20871 O2* G B1028 -861.778-104.289 39.819 1.00851.86 O ATOM 20872 C1* G B1028 -864.049-104.432 40.600 1.00851.86 C ATOM 20873 N9 G B1028 -864.821-103.957 41.746 1.00851.86 N ATOM 20874 C8 G B1028 -865.392-104.724 42.734 1.00851.86 C ATOM 20875 N7 G B1028 -866.007-104.020 43.644 1.00851.86 N ATOM 20876 C5 G B1028 -865.841-102.705 43.231 1.00851.86 C ATOM 20877 C6 G B1028 -866.288-101.482 43.821 1.00851.86 C ATOM 20878 O6 G B1028 -866.943-101.314 44.860 1.00851.86 O ATOM 20879 N1 G B1028 -865.898-100.379 43.072 1.00851.86 N ATOM 20880 C2 G B1028 -865.171-100.437 41.904 1.00851.86 C ATOM 20881 N2 G B1028 -864.896 -99.259 41.324 1.00851.86 N ATOM 20882 N3 G B1028 -864.747-101.562 41.346 1.00851.86 N ATOM 20883 C4 G B1028 -865.115-102.649 42.058 1.00851.86 C ATOM 20884 P C B1029 -860.318-107.177 42.149 1.00851.86 P ATOM 20885 O1P C B1029 -859.106-107.802 41.562 1.00851.86 O ATOM 20886 O2P C B1029 -861.131-107.936 43.131 1.00851.86 O ATOM 20887 O5* C B1029 -859.896-105.789 42.810 1.00851.86 O ATOM 20888 C5* C B1029 -858.848-105.006 42.246 1.00851.86 C ATOM 20889 C4* C B1029 -858.413-103.937 43.219 1.00851.86 C ATOM 20890 O4* C B1029 -859.473-102.954 43.360 1.00851.86 O ATOM 20891 C3* C B1029 -858.172-104.464 44.618 1.00851.86 C ATOM 20892 O3* C B1029 -856.840-104.938 44.792 1.00851.86 O ATOM 20893 C2* C B1029 -858.461-103.252 45.498 1.00851.86 C ATOM 20894 O2* C B1029 -857.350-102.387 45.611 1.00851.86 O ATOM 20895 C1* C B1029 -859.571-102.548 44.712 1.00851.86 C ATOM 20896 N1 C B1029 -860.927-102.861 45.196 1.00851.86 N ATOM 20897 C2 C B1029 -861.408-102.201 46.333 1.00851.86 C ATOM 20898 O2 C B1029 -860.676-101.385 46.914 1.00851.86 O ATOM 20899 N3 C B1029 -862.656-102.478 46.778 1.00851.86 N ATOM 20900 C4 C B1029 -863.413-103.368 46.132 1.00851.86 C ATOM 20901 N4 C B1029 -864.641-103.601 46.603 1.00851.86 N ATOM 20902 C5 C B1029 -862.946-104.058 44.975 1.00851.86 C ATOM 20903 C6 C B1029 -861.708-103.775 44.546 1.00851.86 C ATOM 20904 P U B1030 -856.583-106.474 45.204 1.00851.86 P ATOM 20905 O1P U B1030 -855.167-106.588 45.631 1.00851.86 O ATOM 20906 O2P U B1030 -857.090-107.337 44.105 1.00851.86 O ATOM 20907 O5* U B1030 -857.506-106.703 46.483 1.00851.86 O ATOM 20908 C5* U B1030 -858.850-107.142 46.329 1.00851.86 C ATOM 20909 C4* U B1030 -859.811-106.183 46.989 1.00851.86 C ATOM 20910 O4* U B1030 -861.136-106.471 46.491 1.00851.86 O ATOM 20911 C3* U B1030 -859.934-106.303 48.480 1.00851.86 C ATOM 20912 O3* U B1030 -858.937-105.489 49.089 1.00851.86 O ATOM 20913 C2* U B1030 -861.340-105.781 48.756 1.00851.86 C ATOM 20914 O2* U B1030 -861.390-104.369 48.829 1.00851.86 O ATOM 20915 C1* U B1030 -862.092-106.256 47.511 1.00851.86 C ATOM 20916 N1 U B1030 -862.788-107.531 47.724 1.00851.86 N ATOM 20917 C2 U B1030 -864.114-107.496 48.096 1.00851.86 C ATOM 20918 O2 U B1030 -864.732-106.458 48.240 1.00851.86 O ATOM 20919 N3 U B1030 -864.690-108.728 48.290 1.00851.86 N ATOM 20920 C4 U B1030 -864.084-109.962 48.148 1.00851.86 C ATOM 20921 O4 U B1030 -864.739-110.986 48.358 1.00851.86 O ATOM 20922 C5 U B1030 -862.712-109.910 47.756 1.00851.86 C ATOM 20923 C6 U B1030 -862.124-108.728 47.565 1.00851.86 C ATOM 20924 P C B1031 -857.647-106.179 49.763 1.00851.86 P ATOM 20925 O1P C B1031 -856.589-105.143 49.866 1.00851.86 O ATOM 20926 O2P C B1031 -857.366-107.439 49.026 1.00851.86 O ATOM 20927 O5* C B1031 -858.111-106.564 51.238 1.00851.86 O ATOM 20928 C5* C B1031 -858.305-105.568 52.237 1.00851.86 C ATOM 20929 C4* C B1031 -858.977-106.163 53.454 1.00851.86 C ATOM 20930 O4* C B1031 -860.278-106.672 53.070 1.00851.86 O ATOM 20931 C3* C B1031 -858.263-107.337 54.118 1.00851.86 C ATOM 20932 O3* C B1031 -857.342-106.851 55.090 1.00851.86 O ATOM 20933 C2* C B1031 -859.404-108.116 54.767 1.00851.86 C ATOM 20934 O2* C B1031 -859.733-107.634 56.056 1.00851.86 O ATOM 20935 C1* C B1031 -860.575-107.835 53.817 1.00851.86 C ATOM 20936 N1 C B1031 -860.913-108.915 52.873 1.00851.86 N ATOM 20937 C2 C B1031 -861.735-109.958 53.316 1.00851.86 C ATOM 20938 O2 C B1031 -862.122-109.958 54.497 1.00851.86 O ATOM 20939 N3 C B1031 -862.089-110.934 52.451 1.00851.86 N ATOM 20940 C4 C B1031 -861.648-110.901 51.191 1.00851.86 C ATOM 20941 N4 C B1031 -862.032-111.878 50.365 1.00851.86 N ATOM 20942 C5 C B1031 -860.795-109.860 50.719 1.00851.86 C ATOM 20943 C6 C B1031 -860.455-108.895 51.585 1.00851.86 C ATOM 20944 P A B1032 -856.321-107.858 55.818 1.00851.86 P ATOM 20945 O1P A B1032 -855.524-108.527 54.760 1.00851.86 O ATOM 20946 O2P A B1032 -857.081-108.679 56.795 1.00851.86 O ATOM 20947 O5* A B1032 -855.346-106.889 56.630 1.00851.86 O ATOM 20948 C5* A B1032 -855.848-105.987 57.616 1.00851.86 C ATOM 20949 C4* A B1032 -855.673-104.558 57.150 1.00851.86 C ATOM 20950 O4* A B1032 -856.326-104.390 55.869 1.00851.86 O ATOM 20951 C3* A B1032 -856.277-103.481 58.043 1.00851.86 C ATOM 20952 O3* A B1032 -855.374-103.101 59.083 1.00851.86 O ATOM 20953 C2* A B1032 -856.526-102.335 57.068 1.00851.86 C ATOM 20954 O2* A B1032 -855.380-101.531 56.870 1.00851.86 O ATOM 20955 C1* A B1032 -856.852-103.078 55.770 1.00851.86 C ATOM 20956 N9 A B1032 -858.280-103.182 55.472 1.00851.86 N ATOM 20957 C8 A B1032 -859.283-103.659 56.280 1.00851.86 C ATOM 20958 N7 A B1032 -860.467-103.637 55.718 1.00851.86 N ATOM 20959 C5 A B1032 -860.231-103.109 54.459 1.00851.86 C ATOM 20960 C6 A B1032 -861.080-102.833 53.373 1.00851.86 C ATOM 20961 N6 A B1032 -862.394-103.058 53.384 1.00851.86 N ATOM 20962 N1 A B1032 -860.525-102.307 52.259 1.00851.86 N ATOM 20963 C2 A B1032 -859.205-102.082 52.248 1.00851.86 C ATOM 20964 N3 A B1032 -858.306-102.300 53.202 1.00851.86 N ATOM 20965 C4 A B1032 -858.887-102.821 54.296 1.00851.86 C ATOM 20966 P G B1033 -855.873-103.066 60.613 1.00851.86 P ATOM 20967 O1P G B1033 -854.829-102.365 61.400 1.00851.86 O ATOM 20968 O2P G B1033 -856.289-104.437 60.999 1.00851.86 O ATOM 20969 O5* G B1033 -857.169-102.142 60.588 1.00851.86 O ATOM 20970 C5* G B1033 -858.471-102.718 60.639 1.00851.86 C ATOM 20971 C4* G B1033 -859.468-101.813 59.959 1.00851.86 C ATOM 20972 O4* G B1033 -860.719-102.513 59.771 1.00851.86 O ATOM 20973 C3* G B1033 -859.910-100.579 60.717 1.00851.86 C ATOM 20974 O3* G B1033 -858.945 -99.567 60.440 1.00851.86 O ATOM 20975 C2* G B1033 -861.282-100.227 60.146 1.00851.86 C ATOM 20976 O2* G B1033 -861.185 -99.325 59.063 1.00851.86 O ATOM 20977 C1* G B1033 -861.764-101.576 59.610 1.00851.86 C ATOM 20978 N9 G B1033 -862.955-102.096 60.277 1.00851.86 N ATOM 20979 C8 G B1033 -863.152-102.233 61.631 1.00851.86 C ATOM 20980 N7 G B1033 -864.309-102.753 61.926 1.00851.86 N ATOM 20981 C5 G B1033 -864.917-102.972 60.698 1.00851.86 C ATOM 20982 C6 G B1033 -866.184-103.525 60.381 1.00851.86 C ATOM 20983 O6 G B1033 -867.054-103.950 61.149 1.00851.86 O ATOM 20984 N1 G B1033 -866.397-103.561 59.005 1.00851.86 N ATOM 20985 C2 G B1033 -865.505-103.122 58.057 1.00851.86 C ATOM 20986 N2 G B1033 -865.897-103.240 56.781 1.00851.86 N ATOM 20987 N3 G B1033 -864.318-102.611 58.339 1.00851.86 N ATOM 20988 C4 G B1033 -864.091-102.568 59.669 1.00851.86 C ATOM 20989 P U B1034 -859.011 -98.164 61.221 1.00851.86 P ATOM 20990 O1P U B1034 -857.816 -98.094 62.102 1.00851.86 O ATOM 20991 O2P U B1034 -860.365 -98.007 61.809 1.00851.86 O ATOM 20992 O5* U B1034 -858.833 -97.079 60.068 1.00851.86 O ATOM 20993 C5* U B1034 -857.534 -96.670 59.648 1.00851.86 C ATOM 20994 C4* U B1034 -857.570 -96.186 58.215 1.00851.86 C ATOM 20995 O4* U B1034 -857.790 -97.312 57.326 1.00851.86 O ATOM 20996 C3* U B1034 -858.630 -95.184 57.757 1.00851.86 C ATOM 20997 O3* U B1034 -858.264 -93.850 58.101 1.00851.86 O ATOM 20998 C2* U B1034 -858.656 -95.368 56.242 1.00851.86 C ATOM 20999 O2* U B1034 -857.681 -94.586 55.586 1.00851.86 O ATOM 21000 C1* U B1034 -858.298 -96.849 56.089 1.00851.86 C ATOM 21001 N1 U B1034 -859.416 -97.710 55.679 1.00851.86 N ATOM 21002 C2 U B1034 -860.044 -97.412 54.481 1.00851.86 C ATOM 21003 O2 U B1034 -859.722 -96.467 53.784 1.00851.86 O ATOM 21004 N3 U B1034 -861.060 -98.267 54.133 1.00851.86 N ATOM 21005 C4 U B1034 -861.507 -99.362 54.847 1.00851.86 C ATOM 21006 O4 U B1034 -862.426-100.044 54.395 1.00851.86 O ATOM 21007 C5 U B1034 -860.813 -99.590 56.074 1.00851.86 C ATOM 21008 C6 U B1034 -859.817 -98.778 56.442 1.00851.86 C ATOM 21009 P G B1035 -859.381 -92.695 58.119 1.00851.86 P ATOM 21010 O1P G B1035 -858.728 -91.449 57.644 1.00851.86 O ATOM 21011 O2P G B1035 -860.054 -92.717 59.443 1.00851.86 O ATOM 21012 O5* G B1035 -860.431 -93.151 57.013 1.00851.86 O ATOM 21013 C5* G B1035 -860.366 -92.638 55.687 1.00851.86 C ATOM 21014 C4* G B1035 -861.512 -93.171 54.864 1.00851.86 C ATOM 21015 O4* G B1035 -861.503 -94.620 54.876 1.00851.86 O ATOM 21016 C3* G B1035 -862.882 -92.761 55.395 1.00851.86 C ATOM 21017 O3* G B1035 -863.311 -91.499 54.900 1.00851.86 O ATOM 21018 C2* G B1035 -863.781 -93.905 54.932 1.00851.86 C ATOM 21019 O2* G B1035 -864.221 -93.744 53.597 1.00851.86 O ATOM 21020 C1* G B1035 -862.829 -95.102 55.014 1.00851.86 C ATOM 21021 N9 G B1035 -862.924 -95.826 56.277 1.00851.86 N ATOM 21022 C8 G B1035 -861.915 -96.048 57.185 1.00851.86 C ATOM 21023 N7 G B1035 -862.299 -96.744 58.219 1.00851.86 N ATOM 21024 C5 G B1035 -863.643 -97.002 57.981 1.00851.86 C ATOM 21025 C6 G B1035 -864.589 -97.726 58.747 1.00851.86 C ATOM 21026 O6 G B1035 -864.426 -98.307 59.825 1.00851.86 O ATOM 21027 N1 G B1035 -865.837 -97.740 58.135 1.00851.86 N ATOM 21028 C2 G B1035 -866.140 -97.139 56.940 1.00851.86 C ATOM 21029 N2 G B1035 -867.406 -97.266 56.520 1.00851.86 N ATOM 21030 N3 G B1035 -865.264 -96.464 56.212 1.00851.86 N ATOM 21031 C4 G B1035 -864.045 -96.437 56.790 1.00851.86 C ATOM 21032 P G B1036 -864.210 -90.543 55.828 1.00851.86 P ATOM 21033 O1P G B1036 -865.455 -91.280 56.165 1.00851.86 O ATOM 21034 O2P G B1036 -864.303 -89.222 55.151 1.00851.86 O ATOM 21035 O5* G B1036 -863.365 -90.351 57.161 1.00851.86 O ATOM 21036 C5* G B1036 -863.463 -89.131 57.890 1.00851.86 C ATOM 21037 C4* G B1036 -863.052 -89.321 59.336 1.00851.86 C ATOM 21038 O4* G B1036 -863.925 -90.275 59.996 1.00851.86 O ATOM 21039 C3* G B1036 -861.660 -89.829 59.552 1.00851.86 C ATOM 21040 O3* G B1036 -860.788 -88.710 59.563 1.00851.86 O ATOM 21041 C2* G B1036 -861.740 -90.466 60.934 1.00851.86 C ATOM 21042 O2* G B1036 -861.576 -89.521 61.975 1.00851.86 O ATOM 21043 C1* G B1036 -863.175 -90.988 60.963 1.00851.86 C ATOM 21044 N9 G B1036 -863.252 -92.421 60.698 1.00851.86 N ATOM 21045 C8 G B1036 -864.117 -93.091 59.865 1.00851.86 C ATOM 21046 N7 G B1036 -863.916 -94.383 59.855 1.00851.86 N ATOM 21047 C5 G B1036 -862.860 -94.574 60.735 1.00851.86 C ATOM 21048 C6 G B1036 -862.194 -95.765 61.135 1.00851.86 C ATOM 21049 O6 G B1036 -862.415 -96.927 60.783 1.00851.86 O ATOM 21050 N1 G B1036 -861.174 -95.499 62.044 1.00851.86 N ATOM 21051 C2 G B1036 -860.835 -94.255 62.510 1.00851.86 C ATOM 21052 N2 G B1036 -859.817 -94.205 63.383 1.00851.86 N ATOM 21053 N3 G B1036 -861.446 -93.140 62.144 1.00851.86 N ATOM 21054 C4 G B1036 -862.437 -93.373 61.260 1.00851.86 C ATOM 21055 P U B1037 -859.179 -88.767 59.011 1.00855.43 P ATOM 21056 O1P U B1037 -859.029 -88.779 57.535 1.00855.43 O ATOM 21057 O2P U B1037 -858.686 -89.917 59.814 1.00855.43 O ATOM 21058 O5* U B1037 -858.497 -87.441 59.573 1.00855.43 O ATOM 21059 C5* U B1037 -858.159 -87.337 60.946 1.00855.43 C ATOM 21060 C4* U B1037 -856.879 -86.562 61.119 1.00855.43 C ATOM 21061 O4* U B1037 -856.614 -86.459 62.539 1.00855.43 O ATOM 21062 C3* U B1037 -855.640 -87.219 60.554 1.00855.43 C ATOM 21063 O3* U B1037 -855.475 -86.906 59.171 1.00855.43 O ATOM 21064 C2* U B1037 -854.529 -86.642 61.420 1.00855.43 C ATOM 21065 O2* U B1037 -854.129 -85.351 60.999 1.00855.43 O ATOM 21066 C1* U B1037 -855.224 -86.540 62.780 1.00855.43 C ATOM 21067 N1 U B1037 -855.000 -87.727 63.616 1.00855.43 N ATOM 21068 C2 U B1037 -853.885 -87.754 64.428 1.00855.43 C ATOM 21069 O2 U B1037 -853.080 -86.838 64.478 1.00855.43 O ATOM 21070 N3 U B1037 -853.743 -88.893 65.180 1.00855.43 N ATOM 21071 C4 U B1037 -854.590 -89.985 65.203 1.00855.43 C ATOM 21072 O4 U B1037 -854.328 -90.943 65.931 1.00855.43 O ATOM 21073 C5 U B1037 -855.721 -89.879 64.338 1.00855.43 C ATOM 21074 C6 U B1037 -855.885 -88.783 63.594 1.00855.43 C ATOM 21075 P U B1038 -855.700 -88.051 58.061 1.00855.43 P ATOM 21076 O1P U B1038 -856.616 -87.490 57.035 1.00855.43 O ATOM 21077 O2P U B1038 -856.070 -89.309 58.761 1.00855.43 O ATOM 21078 O5* U B1038 -854.262 -88.244 57.396 1.00855.43 O ATOM 21079 C5* U B1038 -853.734 -87.247 56.528 1.00855.43 C ATOM 21080 C4* U B1038 -852.220 -87.198 56.611 1.00855.43 C ATOM 21081 O4* U B1038 -851.791 -87.036 57.987 1.00855.43 O ATOM 21082 C3* U B1038 -851.506 -88.433 56.083 1.00855.43 C ATOM 21083 O3* U B1038 -851.248 -88.297 54.690 1.00855.43 O ATOM 21084 C2* U B1038 -850.196 -88.413 56.868 1.00855.43 C ATOM 21085 O2* U B1038 -849.225 -87.577 56.276 1.00855.43 O ATOM 21086 C1* U B1038 -850.624 -87.805 58.205 1.00855.43 C ATOM 21087 N1 U B1038 -850.872 -88.803 59.255 1.00855.43 N ATOM 21088 C2 U B1038 -849.781 -89.200 60.013 1.00855.43 C ATOM 21089 O2 U B1038 -848.663 -88.747 59.845 1.00855.43 O ATOM 21090 N3 U B1038 -850.051 -90.148 60.967 1.00855.43 N ATOM 21091 C4 U B1038 -851.273 -90.719 61.244 1.00855.43 C ATOM 21092 O4 U B1038 -851.353 -91.569 62.137 1.00855.43 O ATOM 21093 C5 U B1038 -852.351 -90.248 60.430 1.00855.43 C ATOM 21094 C6 U B1038 -852.120 -89.327 59.485 1.00855.43 C ATOM 21095 P A B1039 -850.803 -89.583 53.830 1.00855.43 P ATOM 21096 O1P A B1039 -851.594 -89.576 52.574 1.00855.43 O ATOM 21097 O2P A B1039 -850.848 -90.775 54.717 1.00855.43 O ATOM 21098 O5* A B1039 -849.279 -89.305 53.455 1.00855.43 O ATOM 21099 C5* A B1039 -848.935 -88.436 52.375 1.00855.43 C ATOM 21100 C4* A B1039 -847.495 -87.992 52.492 1.00855.43 C ATOM 21101 O4* A B1039 -847.261 -87.469 53.822 1.00855.43 O ATOM 21102 C3* A B1039 -846.421 -89.054 52.276 1.00855.43 C ATOM 21103 O3* A B1039 -846.099 -89.189 50.896 1.00855.43 O ATOM 21104 C2* A B1039 -845.250 -88.528 53.098 1.00855.43 C ATOM 21105 O2* A B1039 -844.482 -87.572 52.397 1.00855.43 O ATOM 21106 C1* A B1039 -845.967 -87.850 54.265 1.00855.43 C ATOM 21107 N9 A B1039 -846.129 -88.717 55.432 1.00855.43 N ATOM 21108 C8 A B1039 -847.121 -89.637 55.653 1.00855.43 C ATOM 21109 N7 A B1039 -847.015 -90.268 56.797 1.00855.43 N ATOM 21110 C5 A B1039 -845.870 -89.729 57.368 1.00855.43 C ATOM 21111 C6 A B1039 -845.216 -89.976 58.588 1.00855.43 C ATOM 21112 N6 A B1039 -845.637 -90.867 59.487 1.00855.43 N ATOM 21113 N1 A B1039 -844.097 -89.267 58.854 1.00855.43 N ATOM 21114 C2 A B1039 -843.677 -88.373 57.952 1.00855.43 C ATOM 21115 N3 A B1039 -844.206 -88.053 56.774 1.00855.43 N ATOM 21116 C4 A B1039 -845.314 -88.774 56.538 1.00855.43 C ATOM 21117 P A B1040 -845.026 -90.293 50.430 1.00855.43 P ATOM 21118 O1P A B1040 -845.345 -90.659 49.027 1.00855.43 O ATOM 21119 O2P A B1040 -844.960 -91.352 51.467 1.00855.43 O ATOM 21120 O5* A B1040 -843.640 -89.510 50.432 1.00855.43 O ATOM 21121 C5* A B1040 -843.283 -88.649 49.353 1.00855.43 C ATOM 21122 C4* A B1040 -841.803 -88.355 49.391 1.00855.43 C ATOM 21123 O4* A B1040 -841.463 -87.786 50.683 1.00855.43 O ATOM 21124 C3* A B1040 -840.884 -89.552 49.241 1.00855.43 C ATOM 21125 O3* A B1040 -840.653 -89.840 47.876 1.00855.43 O ATOM 21126 C2* A B1040 -839.627 -89.115 49.976 1.00855.43 C ATOM 21127 O2* A B1040 -838.783 -88.301 49.190 1.00855.43 O ATOM 21128 C1* A B1040 -840.225 -88.312 51.133 1.00855.43 C ATOM 21129 N9 A B1040 -840.499 -89.202 52.259 1.00855.43 N ATOM 21130 C8 A B1040 -841.683 -89.323 52.940 1.00855.43 C ATOM 21131 N7 A B1040 -841.665 -90.238 53.878 1.00855.43 N ATOM 21132 C5 A B1040 -840.374 -90.747 53.819 1.00855.43 C ATOM 21133 C6 A B1040 -839.719 -91.752 54.555 1.00855.43 C ATOM 21134 N6 A B1040 -840.298 -92.457 55.530 1.00855.43 N ATOM 21135 N1 A B1040 -838.431 -92.009 54.250 1.00855.43 N ATOM 21136 C2 A B1040 -837.850 -91.309 53.266 1.00855.43 C ATOM 21137 N3 A B1040 -838.362 -90.348 52.501 1.00855.43 N ATOM 21138 C4 A B1040 -839.643 -90.110 52.832 1.00855.43 C ATOM 21139 P G B1041 -841.040 -91.292 47.307 1.00855.43 P ATOM 21140 O1P G B1041 -840.708 -91.293 45.875 1.00855.43 O ATOM 21141 O2P G B1041 -842.419 -91.630 47.740 1.00855.43 O ATOM 21142 O5* G B1041 -840.018 -92.275 48.030 1.00855.43 O ATOM 21143 C5* G B1041 -838.630 -91.967 48.100 1.00855.43 C ATOM 21144 C4* G B1041 -837.951 -92.858 49.108 1.00855.43 C ATOM 21145 O4* G B1041 -838.546 -92.657 50.420 1.00855.43 O ATOM 21146 C3* G B1041 -838.125 -94.344 48.819 1.00855.43 C ATOM 21147 O3* G B1041 -837.147 -94.850 47.924 1.00855.43 O ATOM 21148 C2* G B1041 -838.046 -94.974 50.203 1.00855.43 C ATOM 21149 O2* G B1041 -836.715 -95.155 50.645 1.00855.43 O ATOM 21150 C1* G B1041 -838.745 -93.911 51.055 1.00855.43 C ATOM 21151 N9 G B1041 -840.180 -94.169 51.111 1.00855.43 N ATOM 21152 C8 G B1041 -841.177 -93.404 50.559 1.00855.43 C ATOM 21153 N7 G B1041 -842.367 -93.907 50.735 1.00855.43 N ATOM 21154 C5 G B1041 -842.145 -95.075 51.454 1.00855.43 C ATOM 21155 C6 G B1041 -843.058 -96.050 51.929 1.00855.43 C ATOM 21156 O6 G B1041 -844.287 -96.081 51.804 1.00855.43 O ATOM 21157 N1 G B1041 -842.405 -97.069 52.609 1.00855.43 N ATOM 21158 C2 G B1041 -841.051 -97.149 52.807 1.00855.43 C ATOM 21159 N2 G B1041 -840.616 -98.213 53.492 1.00855.43 N ATOM 21160 N3 G B1041 -840.186 -96.250 52.363 1.00855.43 N ATOM 21161 C4 G B1041 -840.800 -95.247 51.699 1.00855.43 C ATOM 21162 P G B1042 -837.507 -96.129 47.026 1.00855.43 P ATOM 21163 O1P G B1042 -836.248 -96.647 46.431 1.00855.43 O ATOM 21164 O2P G B1042 -838.643 -95.766 46.138 1.00855.43 O ATOM 21165 O5* G B1042 -838.039 -97.177 48.096 1.00855.43 O ATOM 21166 C5* G B1042 -838.545 -98.440 47.693 1.00855.43 C ATOM 21167 C4* G B1042 -839.004 -99.216 48.903 1.00855.43 C ATOM 21168 O4* G B1042 -839.973 -98.440 49.642 1.00855.43 O ATOM 21169 C3* G B1042 -839.677-100.537 48.653 1.00855.43 C ATOM 21170 O3* G B1042 -838.684-101.535 48.445 1.00855.43 O ATOM 21171 C2* G B1042 -840.484-100.742 49.927 1.00855.43 C ATOM 21172 O2* G B1042 -839.708-101.265 50.987 1.00855.43 O ATOM 21173 C1* G B1042 -840.898 -99.306 50.260 1.00855.43 C ATOM 21174 N9 G B1042 -842.201 -98.968 49.704 1.00855.43 N ATOM 21175 C8 G B1042 -842.458 -97.950 48.819 1.00855.43 C ATOM 21176 N7 G B1042 -843.710 -97.875 48.474 1.00855.43 N ATOM 21177 C5 G B1042 -844.319 -98.906 49.177 1.00855.43 C ATOM 21178 C6 G B1042 -845.668 -99.313 49.203 1.00855.43 C ATOM 21179 O6 G B1042 -846.628 -98.832 48.591 1.00855.43 O ATOM 21180 N1 G B1042 -845.856-100.403 50.047 1.00855.43 N ATOM 21181 C2 G B1042 -844.867-101.019 50.775 1.00855.43 C ATOM 21182 N2 G B1042 -845.250-102.057 51.534 1.00855.43 N ATOM 21183 N3 G B1042 -843.598-100.643 50.756 1.00855.43 N ATOM 21184 C4 G B1042 -843.397 -99.588 49.941 1.00855.43 C ATOM 21185 P A B1043 -839.073-102.896 47.690 1.00855.43 P ATOM 21186 O1P A B1043 -837.913-103.818 47.803 1.00855.43 O ATOM 21187 O2P A B1043 -839.607-102.551 46.349 1.00855.43 O ATOM 21188 O5* A B1043 -840.257-103.485 48.571 1.00855.43 O ATOM 21189 C5* A B1043 -839.976-104.291 49.711 1.00855.43 C ATOM 21190 C4* A B1043 -841.119-105.236 49.984 1.00855.43 C ATOM 21191 O4* A B1043 -842.274-104.496 50.457 1.00855.43 O ATOM 21192 C3* A B1043 -841.639-106.024 48.804 1.00855.43 C ATOM 21193 O3* A B1043 -840.829-107.167 48.559 1.00855.43 O ATOM 21194 C2* A B1043 -843.054-106.393 49.242 1.00855.43 C ATOM 21195 O2* A B1043 -843.085-107.534 50.076 1.00855.43 O ATOM 21196 C1* A B1043 -843.459-105.160 50.052 1.00855.43 C ATOM 21197 N9 A B1043 -844.267-104.236 49.253 1.00855.43 N ATOM 21198 C8 A B1043 -843.844-103.254 48.390 1.00855.43 C ATOM 21199 N7 A B1043 -844.822-102.627 47.785 1.00855.43 N ATOM 21200 C5 A B1043 -845.967-103.228 48.291 1.00855.43 C ATOM 21201 C6 A B1043 -847.335-103.017 48.044 1.00855.43 C ATOM 21202 N6 A B1043 -847.805-102.113 47.183 1.00855.43 N ATOM 21203 N1 A B1043 -848.220-103.784 48.721 1.00855.43 N ATOM 21204 C2 A B1043 -847.752-104.697 49.580 1.00855.43 C ATOM 21205 N3 A B1043 -846.493-104.992 49.894 1.00855.43 N ATOM 21206 C4 A B1043 -845.639-104.212 49.206 1.00855.43 C ATOM 21207 P U B1044 -840.299-107.453 47.065 1.00855.43 P ATOM 21208 O1P U B1044 -840.021-108.907 46.960 1.00855.43 O ATOM 21209 O2P U B1044 -839.222-106.474 46.761 1.00855.43 O ATOM 21210 O5* U B1044 -841.548-107.119 46.137 1.00855.43 O ATOM 21211 C5* U B1044 -842.750-107.875 46.236 1.00855.43 C ATOM 21212 C4* U B1044 -843.139-108.417 44.884 1.00855.43 C ATOM 21213 O4* U B1044 -841.993-109.072 44.271 1.00855.43 O ATOM 21214 C3* U B1044 -844.209-109.486 44.940 1.00855.43 C ATOM 21215 O3* U B1044 -845.506-108.912 44.961 1.00855.43 O ATOM 21216 C2* U B1044 -843.933-110.325 43.699 1.00855.43 C ATOM 21217 O2* U B1044 -844.495-109.768 42.527 1.00855.43 O ATOM 21218 C1* U B1044 -842.407-110.267 43.629 1.00855.43 C ATOM 21219 N1 U B1044 -841.791-111.402 44.332 1.00855.43 N ATOM 21220 C2 U B1044 -841.502-112.534 43.601 1.00855.43 C ATOM 21221 O2 U B1044 -841.713-112.619 42.401 1.00855.43 O ATOM 21222 N3 U B1044 -840.952-113.565 44.320 1.00855.43 N ATOM 21223 C4 U B1044 -840.667-113.574 45.674 1.00855.43 C ATOM 21224 O4 U B1044 -840.197-114.591 46.186 1.00855.43 O ATOM 21225 C5 U B1044 -840.985-112.359 46.357 1.00855.43 C ATOM 21226 C6 U B1044 -841.522-111.340 45.679 1.00855.43 C ATOM 21227 P G B1045 -846.400-109.065 46.280 1.00855.43 P ATOM 21228 O1P G B1045 -846.497-107.722 46.909 1.00855.43 O ATOM 21229 O2P G B1045 -845.868-110.207 47.067 1.00855.43 O ATOM 21230 O5* G B1045 -847.844-109.463 45.746 1.00855.43 O ATOM 21231 C5* G B1045 -848.612-110.419 46.455 1.00855.43 C ATOM 21232 C4* G B1045 -850.029-109.937 46.637 1.00855.43 C ATOM 21233 O4* G B1045 -850.058-108.678 47.345 1.00855.43 O ATOM 21234 C3* G B1045 -850.830-109.713 45.356 1.00855.43 C ATOM 21235 O3* G B1045 -851.393-110.920 44.864 1.00855.43 O ATOM 21236 C2* G B1045 -851.883-108.706 45.808 1.00855.43 C ATOM 21237 O2* G B1045 -852.989-109.327 46.440 1.00855.43 O ATOM 21238 C1* G B1045 -851.112-107.878 46.843 1.00855.43 C ATOM 21239 N9 G B1045 -850.536-106.655 46.296 1.00855.43 N ATOM 21240 C8 G B1045 -849.212-106.288 46.294 1.00855.43 C ATOM 21241 N7 G B1045 -849.001-105.130 45.730 1.00855.43 N ATOM 21242 C5 G B1045 -850.265-104.707 45.339 1.00855.43 C ATOM 21243 C6 G B1045 -850.673-103.517 44.671 1.00855.43 C ATOM 21244 O6 G B1045 -849.974-102.568 44.280 1.00855.43 O ATOM 21245 N1 G B1045 -852.050-103.493 44.469 1.00855.43 N ATOM 21246 C2 G B1045 -852.922-104.482 44.854 1.00855.43 C ATOM 21247 N2 G B1045 -854.212-104.271 44.569 1.00855.43 N ATOM 21248 N3 G B1045 -852.554-105.591 45.473 1.00855.43 N ATOM 21249 C4 G B1045 -851.222-105.637 45.682 1.00855.43 C ATOM 21250 P U B1046 -851.648-111.086 43.288 1.00855.43 P ATOM 21251 O1P U B1046 -852.356-112.377 43.083 1.00855.43 O ATOM 21252 O2P U B1046 -850.368-110.831 42.576 1.00855.43 O ATOM 21253 O5* U B1046 -852.658-109.902 42.952 1.00855.43 O ATOM 21254 C5* U B1046 -854.020-109.983 43.351 1.00855.43 C ATOM 21255 C4* U B1046 -854.816-108.840 42.770 1.00855.43 C ATOM 21256 O4* U B1046 -854.337-107.567 43.279 1.00855.43 O ATOM 21257 C3* U B1046 -854.776-108.680 41.259 1.00855.43 C ATOM 21258 O3* U B1046 -855.667-109.559 40.592 1.00855.43 O ATOM 21259 C2* U B1046 -855.176-107.219 41.074 1.00855.43 C ATOM 21260 O2* U B1046 -856.576-107.039 41.113 1.00855.43 O ATOM 21261 C1* U B1046 -854.537-106.557 42.299 1.00855.43 C ATOM 21262 N1 U B1046 -853.244-105.929 41.986 1.00855.43 N ATOM 21263 C2 U B1046 -853.256-104.692 41.352 1.00855.43 C ATOM 21264 O2 U B1046 -854.280-104.097 41.059 1.00855.43 O ATOM 21265 N3 U B1046 -852.015-104.174 41.068 1.00855.43 N ATOM 21266 C4 U B1046 -850.793-104.747 41.349 1.00855.43 C ATOM 21267 O4 U B1046 -849.762-104.162 41.016 1.00855.43 O ATOM 21268 C5 U B1046 -850.865-106.014 42.012 1.00855.43 C ATOM 21269 C6 U B1046 -852.058-106.550 42.301 1.00855.43 C ATOM 21270 P G B1047 -855.612-109.673 38.992 1.00855.43 P ATOM 21271 O1P G B1047 -855.899-111.083 38.626 1.00855.43 O ATOM 21272 O2P G B1047 -854.356-109.034 38.522 1.00855.43 O ATOM 21273 O5* G B1047 -856.836-108.775 38.513 1.00855.43 O ATOM 21274 C5* G B1047 -858.145-109.322 38.433 1.00855.43 C ATOM 21275 C4* G B1047 -859.097-108.318 37.829 1.00855.43 C ATOM 21276 O4* G B1047 -859.243-107.178 38.719 1.00855.43 O ATOM 21277 C3* G B1047 -858.678-107.700 36.509 1.00855.43 C ATOM 21278 O3* G B1047 -858.973-108.558 35.416 1.00855.43 O ATOM 21279 C2* G B1047 -859.474-106.406 36.479 1.00855.43 C ATOM 21280 O2* G B1047 -860.808-106.593 36.046 1.00855.43 O ATOM 21281 C1* G B1047 -859.455-106.001 37.956 1.00855.43 C ATOM 21282 N9 G B1047 -858.356-105.080 38.221 1.00855.43 N ATOM 21283 C8 G B1047 -857.096-105.398 38.670 1.00855.43 C ATOM 21284 N7 G B1047 -856.309-104.360 38.763 1.00855.43 N ATOM 21285 C5 G B1047 -857.100-103.290 38.360 1.00855.43 C ATOM 21286 C6 G B1047 -856.793-101.907 38.242 1.00855.43 C ATOM 21287 O6 G B1047 -855.724-101.330 38.468 1.00855.43 O ATOM 21288 N1 G B1047 -857.892-101.179 37.805 1.00855.43 N ATOM 21289 C2 G B1047 -859.124-101.702 37.514 1.00855.43 C ATOM 21290 N2 G B1047 -860.059-100.829 37.112 1.00855.43 N ATOM 21291 N3 G B1047 -859.420-102.988 37.610 1.00855.43 N ATOM 21292 C4 G B1047 -858.372-103.719 38.036 1.00855.43 C ATOM 21293 P U B1048 -857.994-109.389 33.778 1.00853.82 P ATOM 21294 O1P U B1048 -858.640-110.101 32.648 1.00853.82 O ATOM 21295 O2P U B1048 -856.760-109.949 34.388 1.00853.82 O ATOM 21296 O5* U B1048 -857.681-107.898 33.319 1.00853.82 O ATOM 21297 C5* U B1048 -858.596-107.177 32.494 1.00853.82 C ATOM 21298 C4* U B1048 -857.962-105.903 32.005 1.00853.82 C ATOM 21299 O4* U B1048 -857.596-105.078 33.142 1.00853.82 O ATOM 21300 C3* U B1048 -856.654-106.011 31.261 1.00853.82 C ATOM 21301 O3* U B1048 -856.916-106.360 29.905 1.00853.82 O ATOM 21302 C2* U B1048 -856.041-104.621 31.402 1.00853.82 C ATOM 21303 O2* U B1048 -856.508-103.715 30.424 1.00853.82 O ATOM 21304 C1* U B1048 -856.543-104.201 32.784 1.00853.82 C ATOM 21305 N1 U B1048 -855.497-104.300 33.813 1.00853.82 N ATOM 21306 C2 U B1048 -855.333-103.233 34.679 1.00853.82 C ATOM 21307 O2 U B1048 -856.020-102.229 34.635 1.00853.82 O ATOM 21308 N3 U B1048 -854.328-103.391 35.604 1.00853.82 N ATOM 21309 C4 U B1048 -853.492-104.480 35.746 1.00853.82 C ATOM 21310 O4 U B1048 -852.626-104.471 36.621 1.00853.82 O ATOM 21311 C5 U B1048 -853.732-105.540 34.817 1.00853.82 C ATOM 21312 C6 U B1048 -854.702-105.417 33.906 1.00853.82 C ATOM 21313 P C B1049 -855.721-106.937 28.999 1.00853.82 P ATOM 21314 O1P C B1049 -855.974-108.382 28.768 1.00853.82 O ATOM 21315 O2P C B1049 -854.431-106.500 29.595 1.00853.82 O ATOM 21316 O5* C B1049 -855.932-106.166 27.622 1.00853.82 O ATOM 21317 C5* C B1049 -854.838-105.690 26.848 1.00853.82 C ATOM 21318 C4* C B1049 -854.899-104.183 26.785 1.00853.82 C ATOM 21319 O4* C B1049 -854.961-103.669 28.138 1.00853.82 O ATOM 21320 C3* C B1049 -853.674-103.548 26.176 1.00853.82 C ATOM 21321 O3* C B1049 -853.866-103.440 24.772 1.00853.82 O ATOM 21322 C2* C B1049 -853.629-102.180 26.847 1.00853.82 C ATOM 21323 O2* C B1049 -854.473-101.240 26.213 1.00853.82 O ATOM 21324 C1* C B1049 -854.181-102.495 28.240 1.00853.82 C ATOM 21325 N1 C B1049 -853.120-102.752 29.226 1.00853.82 N ATOM 21326 C2 C B1049 -852.503-101.669 29.852 1.00853.82 C ATOM 21327 O2 C B1049 -852.874-100.519 29.568 1.00853.82 O ATOM 21328 N3 C B1049 -851.518-101.897 30.751 1.00853.82 N ATOM 21329 C4 C B1049 -851.146-103.151 31.028 1.00853.82 C ATOM 21330 N4 C B1049 -850.164-103.329 31.915 1.00853.82 N ATOM 21331 C5 C B1049 -851.766-104.274 30.412 1.00853.82 C ATOM 21332 C6 C B1049 -852.739-104.031 29.525 1.00853.82 C ATOM 21333 P G B1050 -853.093-104.443 23.780 1.00853.82 P ATOM 21334 O1P G B1050 -853.851-104.483 22.510 1.00853.82 O ATOM 21335 O2P G B1050 -852.825-105.707 24.520 1.00853.82 O ATOM 21336 O5* G B1050 -851.699-103.724 23.496 1.00853.82 O ATOM 21337 C5* G B1050 -850.582-104.453 22.985 1.00853.82 C ATOM 21338 C4* G B1050 -849.319-103.635 23.124 1.00853.82 C ATOM 21339 O4* G B1050 -849.146-103.252 24.510 1.00853.82 O ATOM 21340 C3* G B1050 -848.039-104.360 22.768 1.00853.82 C ATOM 21341 O3* G B1050 -847.799-104.296 21.364 1.00853.82 O ATOM 21342 C2* G B1050 -846.985-103.611 23.571 1.00853.82 C ATOM 21343 O2* G B1050 -846.532-102.442 22.917 1.00853.82 O ATOM 21344 C1* G B1050 -847.767-103.219 24.829 1.00853.82 C ATOM 21345 N9 G B1050 -847.555-104.138 25.945 1.00853.82 N ATOM 21346 C8 G B1050 -848.337-105.217 26.279 1.00853.82 C ATOM 21347 N7 G B1050 -847.894-105.866 27.321 1.00853.82 N ATOM 21348 C5 G B1050 -846.752-105.171 27.695 1.00853.82 C ATOM 21349 C6 G B1050 -845.846-105.409 28.759 1.00853.82 C ATOM 21350 O6 G B1050 -845.868-106.307 29.604 1.00853.82 O ATOM 21351 N1 G B1050 -844.826-104.461 28.779 1.00853.82 N ATOM 21352 C2 G B1050 -844.695-103.420 27.894 1.00853.82 C ATOM 21353 N2 G B1050 -843.643-102.612 28.082 1.00853.82 N ATOM 21354 N3 G B1050 -845.535-103.191 26.898 1.00853.82 N ATOM 21355 C4 G B1050 -846.532-104.098 26.858 1.00853.82 C ATOM 21356 P U B1051 -846.992-105.482 20.636 1.00853.82 P ATOM 21357 O1P U B1051 -846.622-104.994 19.281 1.00853.82 O ATOM 21358 O2P U B1051 -847.777-106.734 20.773 1.00853.82 O ATOM 21359 O5* U B1051 -845.650-105.639 21.483 1.00853.82 O ATOM 21360 C5* U B1051 -844.930-106.874 21.499 1.00853.82 C ATOM 21361 C4* U B1051 -843.488-106.635 21.889 1.00853.82 C ATOM 21362 O4* U B1051 -843.457-106.089 23.229 1.00853.82 O ATOM 21363 C3* U B1051 -842.604-107.868 21.975 1.00853.82 C ATOM 21364 O3* U B1051 -842.062-108.202 20.701 1.00853.82 O ATOM 21365 C2* U B1051 -841.514-107.434 22.947 1.00853.82 C ATOM 21366 O2* U B1051 -840.483-106.701 22.320 1.00853.82 O ATOM 21367 C1* U B1051 -842.291-106.525 23.901 1.00853.82 C ATOM 21368 N1 U B1051 -842.720-107.221 25.120 1.00853.82 N ATOM 21369 C2 U B1051 -841.795-107.385 26.129 1.00853.82 C ATOM 21370 O2 U B1051 -840.651-106.967 26.052 1.00853.82 O ATOM 21371 N3 U B1051 -842.259-108.063 27.230 1.00853.82 N ATOM 21372 C4 U B1051 -843.526-108.575 27.421 1.00853.82 C ATOM 21373 O4 U B1051 -843.786-109.169 28.470 1.00853.82 O ATOM 21374 C5 U B1051 -844.426-108.359 26.336 1.00853.82 C ATOM 21375 C6 U B1051 -844.005-107.704 25.249 1.00853.82 C ATOM 21376 P C B1052 -841.804-109.745 20.324 1.00853.82 P ATOM 21377 O1P C B1052 -841.277-109.784 18.937 1.00853.82 O ATOM 21378 O2P C B1052 -843.024-110.519 20.667 1.00853.82 O ATOM 21379 O5* C B1052 -840.638-110.210 21.308 1.00853.82 O ATOM 21380 C5* C B1052 -839.336-109.627 21.232 1.00853.82 C ATOM 21381 C4* C B1052 -838.541-109.942 22.479 1.00853.82 C ATOM 21382 O4* C B1052 -839.262-109.446 23.640 1.00853.82 O ATOM 21383 C3* C B1052 -838.365-111.399 22.806 1.00853.82 C ATOM 21384 O3* C B1052 -837.285-111.930 22.051 1.00853.82 O ATOM 21385 C2* C B1052 -838.077-111.400 24.303 1.00853.82 C ATOM 21386 O2* C B1052 -836.721-111.149 24.602 1.00853.82 O ATOM 21387 C1* C B1052 -838.943-110.231 24.776 1.00853.82 C ATOM 21388 N1 C B1052 -840.203-110.721 25.358 1.00853.82 N ATOM 21389 C2 C B1052 -840.379-110.670 26.741 1.00853.82 C ATOM 21390 O2 C B1052 -839.487-110.172 27.446 1.00853.82 O ATOM 21391 N3 C B1052 -841.518-111.164 27.279 1.00853.82 N ATOM 21392 C4 C B1052 -842.458-111.683 26.488 1.00853.82 C ATOM 21393 N4 C B1052 -843.558-112.172 27.064 1.00853.82 N ATOM 21394 C5 C B1052 -842.310-111.732 25.073 1.00853.82 C ATOM 21395 C6 C B1052 -841.179-111.242 24.556 1.00853.82 C ATOM 21396 P G B1053 -837.571-113.091 20.971 1.00853.82 P ATOM 21397 O1P G B1053 -837.177-112.576 19.637 1.00853.82 O ATOM 21398 O2P G B1053 -838.955-113.585 21.186 1.00853.82 O ATOM 21399 O5* G B1053 -836.570-114.259 21.379 1.00853.82 O ATOM 21400 C5* G B1053 -835.161-114.084 21.280 1.00853.82 C ATOM 21401 C4* G B1053 -834.476-114.697 22.476 1.00853.82 C ATOM 21402 O4* G B1053 -834.873-113.984 23.677 1.00853.82 O ATOM 21403 C3* G B1053 -834.842-116.146 22.734 1.00853.82 C ATOM 21404 O3* G B1053 -834.034-117.055 21.987 1.00853.82 O ATOM 21405 C2* G B1053 -834.645-116.286 24.236 1.00853.82 C ATOM 21406 O2* G B1053 -833.293-116.526 24.578 1.00853.82 O ATOM 21407 C1* G B1053 -835.070-114.903 24.743 1.00853.82 C ATOM 21408 N9 G B1053 -836.476-114.856 25.144 1.00853.82 N ATOM 21409 C8 G B1053 -837.566-114.766 24.314 1.00853.82 C ATOM 21410 N7 G B1053 -838.709-114.790 24.953 1.00853.82 N ATOM 21411 C5 G B1053 -838.354-114.895 26.295 1.00853.82 C ATOM 21412 C6 G B1053 -839.179-114.984 27.488 1.00853.82 C ATOM 21413 O6 G B1053 -840.420-115.002 27.588 1.00853.82 O ATOM 21414 N1 G B1053 -838.405-115.070 28.638 1.00853.82 N ATOM 21415 C2 G B1053 -837.022-115.072 28.658 1.00853.82 C ATOM 21416 N2 G B1053 -836.449-115.140 29.864 1.00853.82 N ATOM 21417 N3 G B1053 -836.254-115.003 27.570 1.00853.82 N ATOM 21418 C4 G B1053 -836.980-114.919 26.434 1.00853.82 C ATOM 21419 P C B1054 -834.497-118.589 21.838 1.00853.82 P ATOM 21420 O1P C B1054 -833.871-119.360 22.943 1.00853.82 O ATOM 21421 O2P C B1054 -834.271-119.009 20.433 1.00853.82 O ATOM 21422 O5* C B1054 -836.071-118.536 22.091 1.00853.82 O ATOM 21423 C5* C B1054 -836.871-119.714 22.002 1.00853.82 C ATOM 21424 C4* C B1054 -837.671-119.890 23.275 1.00853.82 C ATOM 21425 O4* C B1054 -838.546-118.747 23.460 1.00853.82 O ATOM 21426 C3* C B1054 -838.624-121.069 23.320 1.00853.82 C ATOM 21427 O3* C B1054 -837.955-122.273 23.684 1.00853.82 O ATOM 21428 C2* C B1054 -839.634-120.656 24.388 1.00853.82 C ATOM 21429 O2* C B1054 -839.192-120.955 25.697 1.00853.82 O ATOM 21430 C1* C B1054 -839.686-119.137 24.206 1.00853.82 C ATOM 21431 N1 C B1054 -840.897-118.680 23.504 1.00853.82 N ATOM 21432 C2 C B1054 -842.139-118.812 24.144 1.00853.82 C ATOM 21433 O2 C B1054 -842.177-119.311 25.281 1.00853.82 O ATOM 21434 N3 C B1054 -843.258-118.401 23.511 1.00853.82 N ATOM 21435 C4 C B1054 -843.178-117.872 22.290 1.00853.82 C ATOM 21436 N4 C B1054 -844.311-117.481 21.700 1.00853.82 N ATOM 21437 C5 C B1054 -841.930-117.726 21.613 1.00853.82 C ATOM 21438 C6 C B1054 -840.826-118.137 22.252 1.00853.82 C ATOM 21439 P A B1055 -838.564-123.696 23.247 1.00853.82 P ATOM 21440 O1P A B1055 -837.745-124.741 23.908 1.00853.82 O ATOM 21441 O2P A B1055 -838.712-123.710 21.769 1.00853.82 O ATOM 21442 O5* A B1055 -840.018-123.735 23.897 1.00853.82 O ATOM 21443 C5* A B1055 -840.185-123.926 25.297 1.00853.82 C ATOM 21444 C4* A B1055 -841.282-124.925 25.573 1.00853.82 C ATOM 21445 O4* A B1055 -841.262-125.257 26.982 1.00853.82 O ATOM 21446 C3* A B1055 -842.699-124.467 25.306 1.00853.82 C ATOM 21447 O3* A B1055 -843.028-124.680 23.940 1.00853.82 O ATOM 21448 C2* A B1055 -843.524-125.350 26.237 1.00853.82 C ATOM 21449 O2* A B1055 -843.801-126.620 25.679 1.00853.82 O ATOM 21450 C1* A B1055 -842.580-125.513 27.431 1.00853.82 C ATOM 21451 N9 A B1055 -842.871-124.590 28.524 1.00853.82 N ATOM 21452 C8 A B1055 -843.744-123.532 28.527 1.00853.82 C ATOM 21453 N7 A B1055 -843.787-122.886 29.668 1.00853.82 N ATOM 21454 C5 A B1055 -842.879-123.566 30.467 1.00853.82 C ATOM 21455 C6 A B1055 -842.463-123.376 31.795 1.00853.82 C ATOM 21456 N6 A B1055 -842.924-122.409 32.588 1.00853.82 N ATOM 21457 N1 A B1055 -841.542-124.232 32.290 1.00853.82 N ATOM 21458 C2 A B1055 -841.077-125.206 31.494 1.00853.82 C ATOM 21459 N3 A B1055 -841.391-125.483 30.236 1.00853.82 N ATOM 21460 C4 A B1055 -842.308-124.618 29.774 1.00853.82 C ATOM 21461 P U B1056 -844.342-123.989 23.322 1.00853.82 P ATOM 21462 O1P U B1056 -844.031-122.552 23.115 1.00853.82 O ATOM 21463 O2P U B1056 -845.508-124.378 24.155 1.00853.82 O ATOM 21464 O5* U B1056 -844.492-124.679 21.893 1.00853.82 O ATOM 21465 C5* U B1056 -845.780-124.874 21.310 1.00853.82 C ATOM 21466 C4* U B1056 -845.861-126.241 20.674 1.00853.82 C ATOM 21467 O4* U B1056 -847.230-126.520 20.292 1.00853.82 O ATOM 21468 C3* U B1056 -845.037-126.451 19.413 1.00853.82 C ATOM 21469 O3* U B1056 -843.709-126.857 19.734 1.00853.82 O ATOM 21470 C2* U B1056 -845.793-127.562 18.690 1.00853.82 C ATOM 21471 O2* U B1056 -845.425-128.850 19.142 1.00853.82 O ATOM 21472 C1* U B1056 -847.243-127.283 19.098 1.00853.82 C ATOM 21473 N1 U B1056 -848.022-126.558 18.082 1.00853.82 N ATOM 21474 C2 U B1056 -848.532-127.286 17.027 1.00853.82 C ATOM 21475 O2 U B1056 -848.351-128.487 16.903 1.00853.82 O ATOM 21476 N3 U B1056 -849.261-126.561 16.114 1.00853.82 N ATOM 21477 C4 U B1056 -849.523-125.207 16.152 1.00853.82 C ATOM 21478 O4 U B1056 -850.203-124.700 15.261 1.00853.82 O ATOM 21479 C5 U B1056 -848.959-124.521 17.276 1.00853.82 C ATOM 21480 C6 U B1056 -848.245-125.201 18.178 1.00853.82 C ATOM 21481 P A B1057 -842.539-126.689 18.643 1.00853.82 P ATOM 21482 O1P A B1057 -842.117-125.270 18.655 1.00853.82 O ATOM 21483 O2P A B1057 -842.995-127.311 17.374 1.00853.82 O ATOM 21484 O5* A B1057 -841.342-127.567 19.228 1.00853.82 O ATOM 21485 C5* A B1057 -840.027-127.031 19.340 1.00853.82 C ATOM 21486 C4* A B1057 -839.002-128.126 19.168 1.00853.82 C ATOM 21487 O4* A B1057 -837.671-127.548 19.118 1.00853.82 O ATOM 21488 C3* A B1057 -838.933-129.160 20.278 1.00853.82 C ATOM 21489 O3* A B1057 -839.916-130.184 20.138 1.00853.82 O ATOM 21490 C2* A B1057 -837.508-129.685 20.161 1.00853.82 C ATOM 21491 O2* A B1057 -837.363-130.673 19.160 1.00853.82 O ATOM 21492 C1* A B1057 -836.746-128.419 19.748 1.00853.82 C ATOM 21493 N9 A B1057 -836.168-127.728 20.898 1.00853.82 N ATOM 21494 C8 A B1057 -835.727-128.281 22.077 1.00853.82 C ATOM 21495 N7 A B1057 -835.230-127.409 22.919 1.00853.82 N ATOM 21496 C5 A B1057 -835.359-126.194 22.253 1.00853.82 C ATOM 21497 C6 A B1057 -835.012-124.880 22.609 1.00853.82 C ATOM 21498 N6 A B1057 -834.439-124.554 23.772 1.00853.82 N ATOM 21499 N1 A B1057 -835.276-123.899 21.723 1.00853.82 N ATOM 21500 C2 A B1057 -835.846-124.226 20.555 1.00853.82 C ATOM 21501 N3 A B1057 -836.215-125.421 20.105 1.00853.82 N ATOM 21502 C4 A B1057 -835.941-126.376 21.011 1.00853.82 C ATOM 21503 P G B1058 -840.393-131.014 21.430 1.00853.82 P ATOM 21504 O1P G B1058 -839.304-130.913 22.437 1.00853.82 O ATOM 21505 O2P G B1058 -840.843-132.354 20.974 1.00853.82 O ATOM 21506 O5* G B1058 -841.668-130.226 21.986 1.00853.82 O ATOM 21507 C5* G B1058 -841.564-128.870 22.424 1.00853.82 C ATOM 21508 C4* G B1058 -842.159-128.703 23.811 1.00853.82 C ATOM 21509 O4* G B1058 -843.462-129.336 23.911 1.00853.82 O ATOM 21510 C3* G B1058 -841.295-129.317 24.891 1.00853.82 C ATOM 21511 O3* G B1058 -840.344-128.337 25.324 1.00853.82 O ATOM 21512 C2* G B1058 -842.313-129.685 25.976 1.00853.82 C ATOM 21513 O2* G B1058 -842.559-128.612 26.861 1.00853.82 O ATOM 21514 C1* G B1058 -843.589-129.993 25.168 1.00853.82 C ATOM 21515 N9 G B1058 -843.797-131.416 24.915 1.00853.82 N ATOM 21516 C8 G B1058 -842.943-132.192 24.168 1.00853.82 C ATOM 21517 N7 G B1058 -843.319-133.434 24.073 1.00853.82 N ATOM 21518 C5 G B1058 -844.507-133.505 24.798 1.00853.82 C ATOM 21519 C6 G B1058 -845.349-134.614 25.030 1.00853.82 C ATOM 21520 O6 G B1058 -845.212-135.778 24.626 1.00853.82 O ATOM 21521 N1 G B1058 -846.449-134.270 25.820 1.00853.82 N ATOM 21522 C2 G B1058 -846.721-133.015 26.326 1.00853.82 C ATOM 21523 N2 G B1058 -847.847-132.893 27.095 1.00853.82 N ATOM 21524 N3 G B1058 -845.957-131.957 26.109 1.00853.82 N ATOM 21525 C4 G B1058 -844.842-132.272 25.332 1.00853.82 C ATOM 21526 P A B1059 -838.776-128.537 25.023 1.00853.82 P ATOM 21527 O1P A B1059 -838.603-128.525 23.546 1.00853.82 O ATOM 21528 O2P A B1059 -838.270-129.691 25.806 1.00853.82 O ATOM 21529 O5* A B1059 -838.113-127.204 25.588 1.00853.82 O ATOM 21530 C5* A B1059 -837.712-127.094 26.952 1.00853.82 C ATOM 21531 C4* A B1059 -836.759-125.935 27.124 1.00853.82 C ATOM 21532 O4* A B1059 -837.405-124.706 26.714 1.00853.82 O ATOM 21533 C3* A B1059 -836.238-125.639 28.529 1.00853.82 C ATOM 21534 O3* A B1059 -835.156-126.476 28.926 1.00853.82 O ATOM 21535 C2* A B1059 -835.826-124.171 28.421 1.00853.82 C ATOM 21536 O2* A B1059 -834.535-124.010 27.868 1.00853.82 O ATOM 21537 C1* A B1059 -836.874-123.618 27.453 1.00853.82 C ATOM 21538 N9 A B1059 -837.986-122.945 28.119 1.00853.82 N ATOM 21539 C8 A B1059 -839.159-123.509 28.558 1.00853.82 C ATOM 21540 N7 A B1059 -839.979-122.654 29.120 1.00853.82 N ATOM 21541 C5 A B1059 -839.299-121.447 29.048 1.00853.82 C ATOM 21542 C6 A B1059 -839.631-120.148 29.474 1.00853.82 C ATOM 21543 N6 A B1059 -840.778-119.839 30.078 1.00853.82 N ATOM 21544 N1 A B1059 -838.731-119.167 29.248 1.00853.82 N ATOM 21545 C2 A B1059 -837.580-119.476 28.639 1.00853.82 C ATOM 21546 N3 A B1059 -837.154-120.657 28.195 1.00853.82 N ATOM 21547 C4 A B1059 -838.071-121.613 28.432 1.00853.82 C ATOM 21548 P C B1060 -834.814-126.642 30.489 1.00853.82 P ATOM 21549 O1P C B1060 -833.547-127.410 30.584 1.00853.82 O ATOM 21550 O2P C B1060 -836.028-127.139 31.181 1.00853.82 O ATOM 21551 O5* C B1060 -834.528-125.155 30.986 1.00853.82 O ATOM 21552 C5* C B1060 -833.286-124.518 30.709 1.00853.82 C ATOM 21553 C4* C B1060 -833.298-123.104 31.243 1.00853.82 C ATOM 21554 O4* C B1060 -834.456-122.405 30.713 1.00853.82 O ATOM 21555 C3* C B1060 -833.422-122.877 32.739 1.00853.82 C ATOM 21556 O3* C B1060 -832.166-123.055 33.382 1.00853.82 O ATOM 21557 C2* C B1060 -833.930-121.443 32.829 1.00853.82 C ATOM 21558 O2* C B1060 -832.888-120.494 32.735 1.00853.82 O ATOM 21559 C1* C B1060 -834.825-121.357 31.591 1.00853.82 C ATOM 21560 N1 C B1060 -836.247-121.522 31.922 1.00853.82 N ATOM 21561 C2 C B1060 -836.961-120.431 32.427 1.00853.82 C ATOM 21562 O2 C B1060 -836.376-119.345 32.566 1.00853.82 O ATOM 21563 N3 C B1060 -838.263-120.585 32.750 1.00853.82 N ATOM 21564 C4 C B1060 -838.857-121.770 32.582 1.00853.82 C ATOM 21565 N4 C B1060 -840.143-121.879 32.921 1.00853.82 N ATOM 21566 C5 C B1060 -838.159-122.896 32.064 1.00853.82 C ATOM 21567 C6 C B1060 -836.868-122.728 31.749 1.00853.82 C ATOM 21568 P A B1061 -832.122-123.435 34.945 1.00853.82 P ATOM 21569 O1P A B1061 -830.869-122.879 35.510 1.00853.82 O ATOM 21570 O2P A B1061 -832.401-124.889 35.070 1.00853.82 O ATOM 21571 O5* A B1061 -833.350-122.641 35.576 1.00853.82 O ATOM 21572 C5* A B1061 -833.148-121.435 36.312 1.00853.82 C ATOM 21573 C4* A B1061 -834.311-121.195 37.244 1.00853.82 C ATOM 21574 O4* A B1061 -835.518-121.009 36.457 1.00853.82 O ATOM 21575 C3* A B1061 -834.661-122.315 38.212 1.00853.82 C ATOM 21576 O3* A B1061 -833.864-122.258 39.393 1.00853.82 O ATOM 21577 C2* A B1061 -836.133-122.060 38.509 1.00853.82 C ATOM 21578 O2* A B1061 -836.319-121.079 39.510 1.00853.82 O ATOM 21579 C1* A B1061 -836.632-121.517 37.166 1.00853.82 C ATOM 21580 N9 A B1061 -837.260-122.546 36.338 1.00853.82 N ATOM 21581 C8 A B1061 -836.661-123.332 35.383 1.00853.82 C ATOM 21582 N7 A B1061 -837.478-124.177 34.806 1.00853.82 N ATOM 21583 C5 A B1061 -838.698-123.932 35.419 1.00853.82 C ATOM 21584 C6 A B1061 -839.973-124.502 35.250 1.00853.82 C ATOM 21585 N6 A B1061 -840.239-125.477 34.379 1.00853.82 N ATOM 21586 N1 A B1061 -840.978-124.029 36.020 1.00853.82 N ATOM 21587 C2 A B1061 -840.711-123.051 36.894 1.00853.82 C ATOM 21588 N3 A B1061 -839.557-122.434 37.143 1.00853.82 N ATOM 21589 C4 A B1061 -838.579-122.928 36.365 1.00853.82 C ATOM 21590 P G B1062 -833.289-123.615 40.042 1.00853.82 P ATOM 21591 O1P G B1062 -832.583-123.216 41.288 1.00853.82 O ATOM 21592 O2P G B1062 -832.556-124.369 38.996 1.00853.82 O ATOM 21593 O5* G B1062 -834.576-124.455 40.465 1.00853.82 O ATOM 21594 C5* G B1062 -834.872-124.689 41.843 1.00853.82 C ATOM 21595 C4* G B1062 -835.085-126.166 42.110 1.00853.82 C ATOM 21596 O4* G B1062 -836.244-126.645 41.381 1.00853.82 O ATOM 21597 C3* G B1062 -833.931-127.074 41.724 1.00853.82 C ATOM 21598 O3* G B1062 -832.981-127.196 42.789 1.00853.82 O ATOM 21599 C2* G B1062 -834.644-128.411 41.521 1.00853.82 C ATOM 21600 O2* G B1062 -834.812-129.101 42.742 1.00853.82 O ATOM 21601 C1* G B1062 -836.021-127.988 40.994 1.00853.82 C ATOM 21602 N9 G B1062 -836.189-128.137 39.547 1.00853.82 N ATOM 21603 C8 G B1062 -836.544-127.175 38.631 1.00853.82 C ATOM 21604 N7 G B1062 -836.535-127.615 37.396 1.00853.82 N ATOM 21605 C5 G B1062 -836.164-128.953 37.504 1.00853.82 C ATOM 21606 C6 G B1062 -835.948-129.967 36.491 1.00853.82 C ATOM 21607 O6 G B1062 -836.023-129.882 35.255 1.00853.82 O ATOM 21608 N1 G B1062 -835.593-131.186 37.056 1.00853.82 N ATOM 21609 C2 G B1062 -835.450-131.415 38.402 1.00853.82 C ATOM 21610 N2 G B1062 -835.119-132.663 38.745 1.00853.82 N ATOM 21611 N3 G B1062 -835.617-130.494 39.340 1.00853.82 N ATOM 21612 C4 G B1062 -835.969-129.295 38.827 1.00853.82 C ATOM 21613 P C B1063 -829.969-128.549 41.249 1.00853.82 P ATOM 21614 O1P C B1063 -829.191-128.540 42.514 1.00853.82 O ATOM 21615 O2P C B1063 -829.612-127.591 40.170 1.00853.82 O ATOM 21616 O5* C B1063 -829.885-130.027 40.646 1.00853.82 O ATOM 21617 C5* C B1063 -830.314-131.163 41.408 1.00853.82 C ATOM 21618 C4* C B1063 -830.249-132.437 40.579 1.00853.82 C ATOM 21619 O4* C B1063 -831.117-132.298 39.422 1.00853.82 O ATOM 21620 C3* C B1063 -828.902-132.798 39.971 1.00853.82 C ATOM 21621 O3* C B1063 -828.062-133.501 40.883 1.00853.82 O ATOM 21622 C2* C B1063 -829.290-133.690 38.797 1.00853.82 C ATOM 21623 O2* C B1063 -829.515-135.035 39.180 1.00853.82 O ATOM 21624 C1* C B1063 -830.606-133.064 38.344 1.00853.82 C ATOM 21625 N1 C B1063 -830.432-132.181 37.177 1.00853.82 N ATOM 21626 C2 C B1063 -830.471-132.740 35.889 1.00853.82 C ATOM 21627 O2 C B1063 -830.661-133.963 35.769 1.00853.82 O ATOM 21628 N3 C B1063 -830.304-131.942 34.813 1.00853.82 N ATOM 21629 C4 C B1063 -830.096-130.628 34.987 1.00853.82 C ATOM 21630 N4 C B1063 -829.930-129.876 33.894 1.00853.82 N ATOM 21631 C5 C B1063 -830.046-130.033 36.286 1.00853.82 C ATOM 21632 C6 C B1063 -830.220-130.839 37.341 1.00853.82 C ATOM 21633 P C B1064 -826.498-133.671 40.552 1.00853.82 P ATOM 21634 O1P C B1064 -825.828-134.139 41.794 1.00853.82 O ATOM 21635 O2P C B1064 -826.027-132.429 39.889 1.00853.82 O ATOM 21636 O5* C B1064 -826.451-134.856 39.489 1.00853.82 O ATOM 21637 C5* C B1064 -826.776-136.188 39.865 1.00853.82 C ATOM 21638 C4* C B1064 -826.694-137.119 38.673 1.00853.82 C ATOM 21639 O4* C B1064 -827.728-136.794 37.712 1.00853.82 O ATOM 21640 C3* C B1064 -825.392-137.040 37.891 1.00853.82 C ATOM 21641 O3* C B1064 -824.383-137.855 38.471 1.00853.82 O ATOM 21642 C2* C B1064 -825.802-137.531 36.510 1.00853.82 C ATOM 21643 O2* C B1064 -825.819-138.942 36.412 1.00853.82 O ATOM 21644 C1* C B1064 -827.232-136.996 36.396 1.00853.82 C ATOM 21645 N1 C B1064 -827.298-135.724 35.663 1.00853.82 N ATOM 21646 C2 C B1064 -827.545-135.755 34.280 1.00853.82 C ATOM 21647 O2 C B1064 -827.705-136.855 33.720 1.00853.82 O ATOM 21648 N3 C B1064 -827.601-134.595 33.589 1.00853.82 N ATOM 21649 C4 C B1064 -827.407-133.431 34.229 1.00853.82 C ATOM 21650 N4 C B1064 -827.452-132.306 33.511 1.00853.82 N ATOM 21651 C5 C B1064 -827.162-133.371 35.637 1.00853.82 C ATOM 21652 C6 C B1064 -827.120-134.531 36.304 1.00853.82 C ATOM 21653 P A B1065 -822.945-137.214 38.796 1.00853.82 P ATOM 21654 O1P A B1065 -822.220-138.157 39.684 1.00853.82 O ATOM 21655 O2P A B1065 -823.150-135.808 39.230 1.00853.82 O ATOM 21656 O5* A B1065 -822.214-137.197 37.380 1.00853.82 O ATOM 21657 C5* A B1065 -821.777-138.411 36.781 1.00853.82 C ATOM 21658 C4* A B1065 -821.553-138.221 35.301 1.00853.82 C ATOM 21659 O4* A B1065 -822.797-137.843 34.649 1.00853.82 O ATOM 21660 C3* A B1065 -820.582-137.129 34.894 1.00853.82 C ATOM 21661 O3* A B1065 -819.231-137.559 34.985 1.00853.82 O ATOM 21662 C2* A B1065 -820.999-136.831 33.462 1.00853.82 C ATOM 21663 O2* A B1065 -820.464-137.751 32.534 1.00853.82 O ATOM 21664 C1* A B1065 -822.515-137.001 33.542 1.00853.82 C ATOM 21665 N9 A B1065 -823.167-135.714 33.753 1.00853.82 N ATOM 21666 C8 A B1065 -823.790-135.230 34.880 1.00853.82 C ATOM 21667 N7 A B1065 -824.241-134.005 34.749 1.00853.82 N ATOM 21668 C5 A B1065 -823.898-133.659 33.448 1.00853.82 C ATOM 21669 C6 A B1065 -824.091-132.487 32.696 1.00853.82 C ATOM 21670 N6 A B1065 -824.700-131.398 33.163 1.00853.82 N ATOM 21671 N1 A B1065 -823.628-132.475 31.425 1.00853.82 N ATOM 21672 C2 A B1065 -823.017-133.564 30.957 1.00853.82 C ATOM 21673 N3 A B1065 -822.773-134.724 31.564 1.00853.82 N ATOM 21674 C4 A B1065 -823.245-134.705 32.824 1.00853.82 C ATOM 21675 P G B1066 -818.091-136.489 35.353 1.00853.82 P ATOM 21676 O1P G B1066 -816.801-137.217 35.465 1.00853.82 O ATOM 21677 O2P G B1066 -818.576-135.673 36.498 1.00853.82 O ATOM 21678 O5* G B1066 -818.024-135.550 34.069 1.00853.82 O ATOM 21679 C5* G B1066 -817.775-136.103 32.782 1.00853.82 C ATOM 21680 C4* G B1066 -817.591-135.005 31.759 1.00853.82 C ATOM 21681 O4* G B1066 -818.795-134.205 31.660 1.00853.82 O ATOM 21682 C3* G B1066 -816.500-133.995 32.053 1.00853.82 C ATOM 21683 O3* G B1066 -815.238-134.497 31.642 1.00853.82 O ATOM 21684 C2* G B1066 -816.926-132.786 31.234 1.00853.82 C ATOM 21685 O2* G B1066 -816.518-132.866 29.885 1.00853.82 O ATOM 21686 C1* G B1066 -818.448-132.874 31.314 1.00853.82 C ATOM 21687 N9 G B1066 -818.992-131.973 32.328 1.00853.82 N ATOM 21688 C8 G B1066 -819.659-132.297 33.481 1.00853.82 C ATOM 21689 N7 G B1066 -820.020-131.255 34.176 1.00853.82 N ATOM 21690 C5 G B1066 -819.556-130.175 33.435 1.00853.82 C ATOM 21691 C6 G B1066 -819.649-128.782 33.678 1.00853.82 C ATOM 21692 O6 G B1066 -820.185-128.199 34.621 1.00853.82 O ATOM 21693 N1 G B1066 -819.033-128.046 32.671 1.00853.82 N ATOM 21694 C2 G B1066 -818.407-128.580 31.573 1.00853.82 C ATOM 21695 N2 G B1066 -817.840-127.708 30.723 1.00853.82 N ATOM 21696 N3 G B1066 -818.328-129.873 31.327 1.00853.82 N ATOM 21697 C4 G B1066 -818.919-130.605 32.292 1.00853.82 C ATOM 21698 P G B1067 -813.980-134.368 32.629 1.00853.82 P ATOM 21699 O1P G B1067 -812.747-134.494 31.815 1.00853.82 O ATOM 21700 O2P G B1067 -814.201-135.284 33.777 1.00853.82 O ATOM 21701 O5* G B1067 -814.066-132.873 33.176 1.00853.82 O ATOM 21702 C5* G B1067 -813.356-132.497 34.347 1.00853.82 C ATOM 21703 C4* G B1067 -813.719-131.095 34.767 1.00853.82 C ATOM 21704 O4* G B1067 -815.149-130.997 34.970 1.00853.82 O ATOM 21705 C3* G B1067 -813.110-130.610 36.066 1.00853.82 C ATOM 21706 O3* G B1067 -811.794-130.122 35.818 1.00853.82 O ATOM 21707 C2* G B1067 -814.084-129.532 36.524 1.00853.82 C ATOM 21708 O2* G B1067 -813.829-128.276 35.926 1.00853.82 O ATOM 21709 C1* G B1067 -815.421-130.079 36.012 1.00853.82 C ATOM 21710 N9 G B1067 -816.226-130.795 37.004 1.00853.82 N ATOM 21711 C8 G B1067 -815.877-131.961 37.638 1.00853.82 C ATOM 21712 N7 G B1067 -816.807-132.414 38.429 1.00853.82 N ATOM 21713 C5 G B1067 -817.832-131.482 38.323 1.00853.82 C ATOM 21714 C6 G B1067 -819.106-131.448 38.945 1.00853.82 C ATOM 21715 O6 G B1067 -819.600-132.253 39.741 1.00853.82 O ATOM 21716 N1 G B1067 -819.833-130.330 38.553 1.00853.82 N ATOM 21717 C2 G B1067 -819.392-129.367 37.681 1.00853.82 C ATOM 21718 N2 G B1067 -820.246-128.368 37.419 1.00853.82 N ATOM 21719 N3 G B1067 -818.204-129.386 37.104 1.00853.82 N ATOM 21720 C4 G B1067 -817.482-130.468 37.460 1.00853.82 C ATOM 21721 P A B1068 -810.620-130.425 36.873 1.00853.82 P ATOM 21722 O1P A B1068 -810.793-131.823 37.344 1.00853.82 O ATOM 21723 O2P A B1068 -810.575-129.318 37.864 1.00853.82 O ATOM 21724 O5* A B1068 -809.289-130.361 36.002 1.00853.82 O ATOM 21725 C5* A B1068 -808.762-131.530 35.373 1.00853.82 C ATOM 21726 C4* A B1068 -808.146-131.172 34.044 1.00853.82 C ATOM 21727 O4* A B1068 -809.134-130.498 33.219 1.00853.82 O ATOM 21728 C3* A B1068 -806.992-130.208 34.069 1.00853.82 C ATOM 21729 O3* A B1068 -805.801-130.896 34.419 1.00853.82 O ATOM 21730 C2* A B1068 -806.993-129.639 32.659 1.00853.82 C ATOM 21731 O2* A B1068 -806.373-130.494 31.722 1.00853.82 O ATOM 21732 C1* A B1068 -808.493-129.553 32.379 1.00853.82 C ATOM 21733 N9 A B1068 -809.014-128.236 32.738 1.00853.82 N ATOM 21734 C8 A B1068 -809.398-127.817 33.989 1.00853.82 C ATOM 21735 N7 A B1068 -809.784-126.568 34.033 1.00853.82 N ATOM 21736 C5 A B1068 -809.650-126.131 32.722 1.00853.82 C ATOM 21737 C6 A B1068 -809.894-124.890 32.115 1.00853.82 C ATOM 21738 N6 A B1068 -810.333-123.817 32.772 1.00853.82 N ATOM 21739 N1 A B1068 -809.664-124.788 30.786 1.00853.82 N ATOM 21740 C2 A B1068 -809.218-125.864 30.128 1.00853.82 C ATOM 21741 N3 A B1068 -808.948-127.084 30.590 1.00853.82 N ATOM 21742 C4 A B1068 -809.189-127.152 31.911 1.00853.82 C ATOM 21743 P G B1069 -804.413-130.091 34.454 1.00853.82 P ATOM 21744 O1P G B1069 -803.420-130.936 35.162 1.00853.82 O ATOM 21745 O2P G B1069 -804.689-128.717 34.949 1.00853.82 O ATOM 21746 O5* G B1069 -803.998-129.989 32.922 1.00853.82 O ATOM 21747 C5* G B1069 -803.060-129.012 32.487 1.00853.82 C ATOM 21748 C4* G B1069 -803.008-128.981 30.979 1.00853.82 C ATOM 21749 O4* G B1069 -804.331-128.711 30.443 1.00853.82 O ATOM 21750 C3* G B1069 -802.132-127.895 30.388 1.00853.82 C ATOM 21751 O3* G B1069 -800.766-128.281 30.363 1.00853.82 O ATOM 21752 C2* G B1069 -802.734-127.686 29.007 1.00853.82 C ATOM 21753 O2* G B1069 -802.293-128.650 28.071 1.00853.82 O ATOM 21754 C1* G B1069 -804.223-127.893 29.289 1.00853.82 C ATOM 21755 N9 G B1069 -804.924-126.639 29.562 1.00853.82 N ATOM 21756 C8 G B1069 -805.513-126.272 30.745 1.00853.82 C ATOM 21757 N7 G B1069 -806.052-125.083 30.702 1.00853.82 N ATOM 21758 C5 G B1069 -805.808-124.638 29.410 1.00853.82 C ATOM 21759 C6 G B1069 -806.155-123.417 28.779 1.00853.82 C ATOM 21760 O6 G B1069 -806.769-122.455 29.250 1.00853.82 O ATOM 21761 N1 G B1069 -805.718-123.381 27.462 1.00853.82 N ATOM 21762 C2 G B1069 -805.029-124.384 26.827 1.00853.82 C ATOM 21763 N2 G B1069 -804.695-124.150 25.547 1.00853.82 N ATOM 21764 N3 G B1069 -804.696-125.531 27.405 1.00853.82 N ATOM 21765 C4 G B1069 -805.115-125.589 28.691 1.00853.82 C ATOM 21766 P G B1070 -799.632-127.152 30.462 1.00853.82 P ATOM 21767 O1P G B1070 -798.316-127.821 30.298 1.00853.82 O ATOM 21768 O2P G B1070 -799.894-126.345 31.678 1.00853.82 O ATOM 21769 O5* G B1070 -799.889-126.239 29.183 1.00853.82 O ATOM 21770 C5* G B1070 -799.095-126.409 28.018 1.00853.82 C ATOM 21771 C4* G B1070 -798.672-125.074 27.452 1.00853.82 C ATOM 21772 O4* G B1070 -799.761-124.460 26.729 1.00853.82 O ATOM 21773 C3* G B1070 -798.251-124.030 28.459 1.00853.82 C ATOM 21774 O3* G B1070 -796.893-124.226 28.836 1.00853.82 O ATOM 21775 C2* G B1070 -798.439-122.722 27.696 1.00853.82 C ATOM 21776 O2* G B1070 -797.319-122.402 26.891 1.00853.82 O ATOM 21777 C1* G B1070 -799.629-123.053 26.791 1.00853.82 C ATOM 21778 N9 G B1070 -800.886-122.484 27.266 1.00853.82 N ATOM 21779 C8 G B1070 -801.872-123.117 27.986 1.00853.82 C ATOM 21780 N7 G B1070 -802.877-122.333 28.271 1.00853.82 N ATOM 21781 C5 G B1070 -802.537-121.112 27.700 1.00853.82 C ATOM 21782 C6 G B1070 -803.240-119.873 27.668 1.00853.82 C ATOM 21783 O6 G B1070 -804.344-119.594 28.151 1.00853.82 O ATOM 21784 N1 G B1070 -802.525-118.900 26.983 1.00853.82 N ATOM 21785 C2 G B1070 -801.297-119.084 26.399 1.00853.82 C ATOM 21786 N2 G B1070 -800.775-118.016 25.783 1.00853.82 N ATOM 21787 N3 G B1070 -800.634-120.226 26.419 1.00853.82 N ATOM 21788 C4 G B1070 -801.308-121.191 27.081 1.00853.82 C ATOM 21789 P U B1071 -796.338-123.548 30.178 1.00853.82 P ATOM 21790 O1P U B1071 -795.423-122.438 29.800 1.00853.82 O ATOM 21791 O2P U B1071 -795.853-124.619 31.075 1.00853.82 O ATOM 21792 O5* U B1071 -797.635-122.912 30.847 1.00853.82 O ATOM 21793 C5* U B1071 -797.678-122.698 32.251 1.00853.82 C ATOM 21794 C4* U B1071 -798.879-121.853 32.627 1.00853.82 C ATOM 21795 O4* U B1071 -798.660-120.489 32.201 1.00853.82 O ATOM 21796 C3* U B1071 -800.179-122.304 31.995 1.00853.82 C ATOM 21797 O3* U B1071 -801.282-122.134 32.882 1.00853.82 O ATOM 21798 C2* U B1071 -800.360-121.351 30.821 1.00853.82 C ATOM 21799 O2* U B1071 -801.709-121.108 30.514 1.00853.82 O ATOM 21800 C1* U B1071 -799.711-120.076 31.359 1.00853.82 C ATOM 21801 N1 U B1071 -799.113-119.228 30.323 1.00853.82 N ATOM 21802 C2 U B1071 -799.930-118.341 29.654 1.00853.82 C ATOM 21803 O2 U B1071 -801.125-118.257 29.864 1.00853.82 O ATOM 21804 N3 U B1071 -799.284-117.546 28.740 1.00853.82 N ATOM 21805 C4 U B1071 -797.934-117.555 28.447 1.00853.82 C ATOM 21806 O4 U B1071 -797.490-116.740 27.643 1.00853.82 O ATOM 21807 C5 U B1071 -797.165-118.513 29.169 1.00853.82 C ATOM 21808 C6 U B1071 -797.769-119.304 30.054 1.00853.82 C ATOM 21809 P U B1072 -802.328-123.328 33.018 1.00853.82 P ATOM 21810 O1P U B1072 -801.820-124.447 32.159 1.00853.82 O ATOM 21811 O2P U B1072 -803.658-122.721 32.762 1.00853.82 O ATOM 21812 O5* U B1072 -802.293-123.888 34.504 1.00853.82 O ATOM 21813 C5* U B1072 -803.042-123.254 35.527 1.00853.82 C ATOM 21814 C4* U B1072 -802.143-122.507 36.515 1.00853.82 C ATOM 21815 O4* U B1072 -801.194-123.344 37.229 1.00853.82 O ATOM 21816 C3* U B1072 -801.359-121.359 35.894 1.00853.82 C ATOM 21817 O3* U B1072 -802.197-120.215 35.829 1.00853.82 O ATOM 21818 C2* U B1072 -800.219-121.177 36.907 1.00853.82 C ATOM 21819 O2* U B1072 -800.533-120.353 38.004 1.00853.82 O ATOM 21820 C1* U B1072 -800.002-122.591 37.433 1.00853.82 C ATOM 21821 N1 U B1072 -798.835-123.296 36.884 1.00853.82 N ATOM 21822 C2 U B1072 -797.780-123.498 37.740 1.00853.82 C ATOM 21823 O2 U B1072 -797.738-123.028 38.864 1.00853.82 O ATOM 21824 N3 U B1072 -796.771-124.269 37.230 1.00853.82 N ATOM 21825 C4 U B1072 -796.710-124.844 35.981 1.00853.82 C ATOM 21826 O4 U B1072 -795.865-125.707 35.755 1.00853.82 O ATOM 21827 C5 U B1072 -797.798-124.517 35.131 1.00853.82 C ATOM 21828 C6 U B1072 -798.793-123.770 35.595 1.00853.82 C ATOM 21829 P G B1073 -801.578-118.778 35.473 1.00853.82 P ATOM 21830 O1P G B1073 -801.123-118.150 36.741 1.00853.82 O ATOM 21831 O2P G B1073 -802.554-118.063 34.615 1.00853.82 O ATOM 21832 O5* G B1073 -800.285-119.095 34.607 1.00853.82 O ATOM 21833 C5* G B1073 -799.178-118.207 34.644 1.00853.82 C ATOM 21834 C4* G B1073 -799.282-117.179 33.549 1.00853.82 C ATOM 21835 O4* G B1073 -800.626-116.653 33.435 1.00853.82 O ATOM 21836 C3* G B1073 -798.379-115.963 33.713 1.00853.82 C ATOM 21837 O3* G B1073 -797.058-116.240 33.278 1.00853.82 O ATOM 21838 C2* G B1073 -799.103-114.891 32.900 1.00853.82 C ATOM 21839 O2* G B1073 -798.804-114.963 31.524 1.00853.82 O ATOM 21840 C1* G B1073 -800.572-115.269 33.118 1.00853.82 C ATOM 21841 N9 G B1073 -801.265-114.538 34.175 1.00853.82 N ATOM 21842 C8 G B1073 -801.663-115.063 35.380 1.00853.82 C ATOM 21843 N7 G B1073 -802.292-114.204 36.134 1.00853.82 N ATOM 21844 C5 G B1073 -802.312-113.035 35.387 1.00853.82 C ATOM 21845 C6 G B1073 -802.865-111.768 35.697 1.00853.82 C ATOM 21846 O6 G B1073 -803.470-111.422 36.716 1.00853.82 O ATOM 21847 N1 G B1073 -802.661-110.854 34.672 1.00853.82 N ATOM 21848 C2 G B1073 -802.009-111.121 33.498 1.00853.82 C ATOM 21849 N2 G B1073 -801.920-110.078 32.652 1.00853.82 N ATOM 21850 N3 G B1073 -801.488-112.307 33.186 1.00853.82 N ATOM 21851 C4 G B1073 -801.675-113.213 34.175 1.00853.82 C ATOM 21852 P G B1074 -795.820-115.682 34.132 1.00853.82 P ATOM 21853 O1P G B1074 -794.608-116.416 33.692 1.00853.82 O ATOM 21854 O2P G B1074 -796.203-115.692 35.567 1.00853.82 O ATOM 21855 O5* G B1074 -795.703-114.169 33.657 1.00853.82 O ATOM 21856 C5* G B1074 -794.580-113.746 32.903 1.00853.82 C ATOM 21857 C4* G B1074 -794.430-112.245 32.959 1.00853.82 C ATOM 21858 O4* G B1074 -795.632-111.581 32.486 1.00853.82 O ATOM 21859 C3* G B1074 -794.138-111.652 34.327 1.00853.82 C ATOM 21860 O3* G B1074 -792.749-111.707 34.615 1.00853.82 O ATOM 21861 C2* G B1074 -794.630-110.215 34.166 1.00853.82 C ATOM 21862 O2* G B1074 -793.670-109.386 33.544 1.00853.82 O ATOM 21863 C1* G B1074 -795.827-110.387 33.223 1.00853.82 C ATOM 21864 N9 G B1074 -797.100-110.458 33.932 1.00853.82 N ATOM 21865 C8 G B1074 -797.766-111.582 34.355 1.00853.82 C ATOM 21866 N7 G B1074 -798.893-111.312 34.954 1.00853.82 N ATOM 21867 C5 G B1074 -798.981-109.927 34.929 1.00853.82 C ATOM 21868 C6 G B1074 -799.985-109.054 35.424 1.00853.82 C ATOM 21869 O6 G B1074 -801.042-109.345 36.004 1.00853.82 O ATOM 21870 N1 G B1074 -799.670-107.720 35.190 1.00853.82 N ATOM 21871 C2 G B1074 -798.534-107.278 34.558 1.00853.82 C ATOM 21872 N2 G B1074 -798.413-105.946 34.438 1.00853.82 N ATOM 21873 N3 G B1074 -797.592-108.079 34.085 1.00853.82 N ATOM 21874 C4 G B1074 -797.878-109.381 34.303 1.00853.82 C ATOM 21875 P C B1075 -792.264-111.729 36.144 1.00853.82 P ATOM 21876 O1P C B1075 -790.779-111.700 36.146 1.00853.82 O ATOM 21877 O2P C B1075 -792.976-112.823 36.853 1.00853.82 O ATOM 21878 O5* C B1075 -792.786-110.336 36.715 1.00853.82 O ATOM 21879 C5* C B1075 -792.140-109.125 36.351 1.00853.82 C ATOM 21880 C4* C B1075 -792.972-107.941 36.771 1.00853.82 C ATOM 21881 O4* C B1075 -794.295-108.008 36.181 1.00853.82 O ATOM 21882 C3* C B1075 -793.198-107.801 38.265 1.00853.82 C ATOM 21883 O3* C B1075 -792.098-107.155 38.890 1.00853.82 O ATOM 21884 C2* C B1075 -794.486-106.985 38.328 1.00853.82 C ATOM 21885 O2* C B1075 -794.258-105.599 38.180 1.00853.82 O ATOM 21886 C1* C B1075 -795.246-107.507 37.105 1.00853.82 C ATOM 21887 N1 C B1075 -796.207-108.570 37.440 1.00853.82 N ATOM 21888 C2 C B1075 -797.525-108.201 37.720 1.00853.82 C ATOM 21889 O2 C B1075 -797.831-107.004 37.660 1.00853.82 O ATOM 21890 N3 C B1075 -798.429-109.152 38.046 1.00853.82 N ATOM 21891 C4 C B1075 -798.063-110.434 38.093 1.00853.82 C ATOM 21892 N4 C B1075 -798.997-111.332 38.417 1.00853.82 N ATOM 21893 C5 C B1075 -796.725-110.844 37.807 1.00853.82 C ATOM 21894 C6 C B1075 -795.838-109.886 37.485 1.00853.82 C ATOM 21895 P U B1076 -791.600-107.667 40.330 1.00853.82 P ATOM 21896 O1P U B1076 -790.185-107.247 40.491 1.00853.82 O ATOM 21897 O2P U B1076 -791.958-109.101 40.459 1.00853.82 O ATOM 21898 O5* U B1076 -792.494-106.839 41.354 1.00853.82 O ATOM 21899 C5* U B1076 -792.312-105.434 41.498 1.00853.82 C ATOM 21900 C4* U B1076 -793.084-104.920 42.692 1.00853.82 C ATOM 21901 O4* U B1076 -794.498-105.189 42.514 1.00853.82 O ATOM 21902 C3* U B1076 -792.748-105.503 44.052 1.00853.82 C ATOM 21903 O3* U B1076 -791.637-104.838 44.640 1.00853.82 O ATOM 21904 C2* U B1076 -794.023-105.240 44.851 1.00853.82 C ATOM 21905 O2* U B1076 -794.058-103.931 45.385 1.00853.82 O ATOM 21906 C1* U B1076 -795.105-105.371 43.779 1.00853.82 C ATOM 21907 N1 U B1076 -795.791-106.671 43.810 1.00853.82 N ATOM 21908 C2 U B1076 -796.890-106.781 44.640 1.00853.82 C ATOM 21909 O2 U B1076 -797.300-105.854 45.315 1.00853.82 O ATOM 21910 N3 U B1076 -797.490-108.016 44.653 1.00853.82 N ATOM 21911 C4 U B1076 -797.114-109.130 43.931 1.00853.82 C ATOM 21912 O4 U B1076 -797.747-110.176 44.063 1.00853.82 O ATOM 21913 C5 U B1076 -795.974-108.932 43.085 1.00853.82 C ATOM 21914 C6 U B1076 -795.364-107.739 43.054 1.00853.82 C ATOM 21915 P U B1077 -790.754-105.596 45.752 1.00853.82 P ATOM 21916 O1P U B1077 -791.688-106.072 46.802 1.00853.82 O ATOM 21917 O2P U B1077 -789.619-104.713 46.125 1.00853.82 O ATOM 21918 O5* U B1077 -790.169-106.874 45.001 1.00853.82 O ATOM 21919 C5* U B1077 -790.229-108.168 45.596 1.00853.82 C ATOM 21920 C4* U B1077 -791.128-109.077 44.790 1.00853.82 C ATOM 21921 O4* U B1077 -790.475-109.382 43.531 1.00853.82 O ATOM 21922 C3* U B1077 -791.350-110.414 45.424 1.00853.82 C ATOM 21923 O3* U B1077 -792.493-110.304 46.268 1.00853.82 O ATOM 21924 C2* U B1077 -791.643-111.327 44.242 1.00853.82 C ATOM 21925 O2* U B1077 -793.006-111.241 43.888 1.00853.82 O ATOM 21926 C1* U B1077 -790.801-110.699 43.129 1.00853.82 C ATOM 21927 N1 U B1077 -789.544-111.420 42.875 1.00853.82 N ATOM 21928 C2 U B1077 -789.408-112.080 41.667 1.00853.82 C ATOM 21929 O2 U B1077 -790.277-112.086 40.814 1.00853.82 O ATOM 21930 N3 U B1077 -788.214-112.738 41.502 1.00853.82 N ATOM 21931 C4 U B1077 -787.167-112.799 42.401 1.00853.82 C ATOM 21932 O4 U B1077 -786.153-113.433 42.108 1.00853.82 O ATOM 21933 C5 U B1077 -787.385-112.086 43.622 1.00853.82 C ATOM 21934 C6 U B1077 -788.536-111.437 43.811 1.00853.82 C ATOM 21935 P A B1078 -792.320-110.168 47.867 1.00853.82 P ATOM 21936 O1P A B1078 -793.671-109.887 48.419 1.00853.82 O ATOM 21937 O2P A B1078 -791.206-109.226 48.147 1.00853.82 O ATOM 21938 O5* A B1078 -791.891-111.612 48.392 1.00853.82 O ATOM 21939 C5* A B1078 -790.511-111.979 48.434 1.00853.82 C ATOM 21940 C4* A B1078 -790.357-113.478 48.584 1.00853.82 C ATOM 21941 O4* A B1078 -790.600-113.895 49.949 1.00853.82 O ATOM 21942 C3* A B1078 -791.337-114.312 47.787 1.00853.82 C ATOM 21943 O3* A B1078 -790.910-114.436 46.440 1.00853.82 O ATOM 21944 C2* A B1078 -791.341-115.655 48.513 1.00853.82 C ATOM 21945 O2* A B1078 -790.311-116.504 48.053 1.00853.82 O ATOM 21946 C1* A B1078 -791.057-115.239 49.960 1.00853.82 C ATOM 21947 N9 A B1078 -792.226-115.331 50.837 1.00853.82 N ATOM 21948 C8 A B1078 -793.272-114.451 50.940 1.00853.82 C ATOM 21949 N7 A B1078 -794.173-114.801 51.825 1.00853.82 N ATOM 21950 C5 A B1078 -793.686-115.998 52.338 1.00853.82 C ATOM 21951 C6 A B1078 -794.184-116.879 53.317 1.00853.82 C ATOM 21952 N6 A B1078 -795.328-116.681 53.980 1.00853.82 N ATOM 21953 N1 A B1078 -793.457-117.982 53.594 1.00853.82 N ATOM 21954 C2 A B1078 -792.312-118.177 52.928 1.00853.82 C ATOM 21955 N3 A B1078 -791.741-117.424 51.991 1.00853.82 N ATOM 21956 C4 A B1078 -792.488-116.335 51.738 1.00853.82 C ATOM 21957 P G B1079 -791.990-114.731 45.293 1.00853.82 P ATOM 21958 O1P G B1079 -791.257-114.880 44.011 1.00853.82 O ATOM 21959 O2P G B1079 -793.058-113.708 45.417 1.00853.82 O ATOM 21960 O5* G B1079 -792.582-116.148 45.705 1.00853.82 O ATOM 21961 C5* G B1079 -792.472-117.260 44.821 1.00853.82 C ATOM 21962 C4* G B1079 -793.734-118.093 44.854 1.00853.82 C ATOM 21963 O4* G B1079 -793.968-118.613 46.184 1.00853.82 O ATOM 21964 C3* G B1079 -795.000-117.331 44.473 1.00853.82 C ATOM 21965 O3* G B1079 -795.188-117.274 43.066 1.00853.82 O ATOM 21966 C2* G B1079 -796.086-118.152 45.170 1.00853.82 C ATOM 21967 O2* G B1079 -796.500-119.266 44.404 1.00853.82 O ATOM 21968 C1* G B1079 -795.362-118.659 46.421 1.00853.82 C ATOM 21969 N9 G B1079 -795.658-117.954 47.665 1.00853.82 N ATOM 21970 C8 G B1079 -795.333-116.658 47.978 1.00853.82 C ATOM 21971 N7 G B1079 -795.711-116.313 49.179 1.00853.82 N ATOM 21972 C5 G B1079 -796.327-117.447 49.686 1.00853.82 C ATOM 21973 C6 G B1079 -796.934-117.676 50.949 1.00853.82 C ATOM 21974 O6 G B1079 -797.048-116.895 51.904 1.00853.82 O ATOM 21975 N1 G B1079 -797.437-118.969 51.045 1.00853.82 N ATOM 21976 C2 G B1079 -797.368-119.918 50.057 1.00853.82 C ATOM 21977 N2 G B1079 -797.910-121.110 50.344 1.00853.82 N ATOM 21978 N3 G B1079 -796.804-119.719 48.877 1.00853.82 N ATOM 21979 C4 G B1079 -796.308-118.468 48.764 1.00853.82 C ATOM 21980 P A B1080 -795.556-115.875 42.372 1.00853.82 P ATOM 21981 O1P A B1080 -795.857-116.157 40.944 1.00853.82 O ATOM 21982 O2P A B1080 -794.514-114.874 42.716 1.00853.82 O ATOM 21983 O5* A B1080 -796.910-115.456 43.093 1.00853.82 O ATOM 21984 C5* A B1080 -798.039-116.314 43.043 1.00853.82 C ATOM 21985 C4* A B1080 -799.181-115.723 43.829 1.00853.82 C ATOM 21986 O4* A B1080 -798.845-115.605 45.231 1.00853.82 O ATOM 21987 C3* A B1080 -799.593-114.322 43.446 1.00853.82 C ATOM 21988 O3* A B1080 -800.440-114.352 42.314 1.00853.82 O ATOM 21989 C2* A B1080 -800.350-113.834 44.679 1.00853.82 C ATOM 21990 O2* A B1080 -801.722-114.170 44.640 1.00853.82 O ATOM 21991 C1* A B1080 -799.685-114.626 45.809 1.00853.82 C ATOM 21992 N9 A B1080 -798.927-113.823 46.767 1.00853.82 N ATOM 21993 C8 A B1080 -798.070-112.771 46.556 1.00853.82 C ATOM 21994 N7 A B1080 -797.574-112.265 47.661 1.00853.82 N ATOM 21995 C5 A B1080 -798.141-113.036 48.665 1.00853.82 C ATOM 21996 C6 A B1080 -798.022-113.009 50.068 1.00853.82 C ATOM 21997 N6 A B1080 -797.258-112.136 50.731 1.00853.82 N ATOM 21998 N1 A B1080 -798.722-113.924 50.776 1.00853.82 N ATOM 21999 C2 A B1080 -799.488-114.799 50.114 1.00853.82 C ATOM 22000 N3 A B1080 -799.681-114.924 48.803 1.00853.82 N ATOM 22001 C4 A B1080 -798.969-114.002 48.128 1.00853.82 C ATOM 22002 P A B1081 -799.808-114.448 40.841 1.00853.82 P ATOM 22003 O1P A B1081 -798.404-113.965 40.916 1.00853.82 O ATOM 22004 O2P A B1081 -800.750-113.826 39.878 1.00853.82 O ATOM 22005 O5* A B1081 -799.786-116.016 40.585 1.00853.82 O ATOM 22006 C5* A B1081 -800.946-116.806 40.831 1.00853.82 C ATOM 22007 C4* A B1081 -800.605-118.276 40.750 1.00853.82 C ATOM 22008 O4* A B1081 -799.570-118.618 41.704 1.00853.82 O ATOM 22009 C3* A B1081 -801.757-119.218 41.035 1.00853.82 C ATOM 22010 O3* A B1081 -802.577-119.421 39.887 1.00853.82 O ATOM 22011 C2* A B1081 -801.022-120.497 41.447 1.00853.82 C ATOM 22012 O2* A B1081 -800.657-121.303 40.353 1.00853.82 O ATOM 22013 C1* A B1081 -799.756-119.955 42.116 1.00853.82 C ATOM 22014 N9 A B1081 -799.730-120.039 43.578 1.00853.82 N ATOM 22015 C8 A B1081 -799.758-119.037 44.517 1.00853.82 C ATOM 22016 N7 A B1081 -799.700-119.473 45.755 1.00853.82 N ATOM 22017 C5 A B1081 -799.628-120.855 45.617 1.00853.82 C ATOM 22018 C6 A B1081 -799.547-121.899 46.561 1.00853.82 C ATOM 22019 N6 A B1081 -799.511-121.708 47.882 1.00853.82 N ATOM 22020 N1 A B1081 -799.497-123.161 46.090 1.00853.82 N ATOM 22021 C2 A B1081 -799.530-123.355 44.768 1.00853.82 C ATOM 22022 N3 A B1081 -799.605-122.462 43.788 1.00853.82 N ATOM 22023 C4 A B1081 -799.652-121.216 44.285 1.00853.82 C ATOM 22024 P G B1082 -803.870-120.366 39.976 1.00853.82 P ATOM 22025 O1P G B1082 -804.598-120.038 41.229 1.00853.82 O ATOM 22026 O2P G B1082 -803.425-121.763 39.732 1.00853.82 O ATOM 22027 O5* G B1082 -804.756-119.898 38.739 1.00853.82 O ATOM 22028 C5* G B1082 -804.814-118.524 38.370 1.00853.82 C ATOM 22029 C4* G B1082 -806.093-117.899 38.880 1.00853.82 C ATOM 22030 O4* G B1082 -807.200-118.820 38.696 1.00853.82 O ATOM 22031 C3* G B1082 -806.107-117.550 40.364 1.00853.82 C ATOM 22032 O3* G B1082 -805.536-116.263 40.589 1.00853.82 O ATOM 22033 C2* G B1082 -807.595-117.572 40.698 1.00853.82 C ATOM 22034 O2* G B1082 -808.243-116.351 40.411 1.00853.82 O ATOM 22035 C1* G B1082 -808.121-118.666 39.761 1.00853.82 C ATOM 22036 N9 G B1082 -808.320-119.954 40.416 1.00853.82 N ATOM 22037 C8 G B1082 -809.097-120.189 41.524 1.00853.82 C ATOM 22038 N7 G B1082 -809.102-121.440 41.891 1.00853.82 N ATOM 22039 C5 G B1082 -808.281-122.076 40.971 1.00853.82 C ATOM 22040 C6 G B1082 -807.910-123.438 40.860 1.00853.82 C ATOM 22041 O6 G B1082 -808.244-124.389 41.577 1.00853.82 O ATOM 22042 N1 G B1082 -807.060-123.650 39.782 1.00853.82 N ATOM 22043 C2 G B1082 -806.622-122.678 38.919 1.00853.82 C ATOM 22044 N2 G B1082 -805.802-123.084 37.938 1.00853.82 N ATOM 22045 N3 G B1082 -806.959-121.400 39.010 1.00853.82 N ATOM 22046 C4 G B1082 -807.787-121.171 40.052 1.00853.82 C ATOM 22047 P C B1083 -804.552-116.037 41.840 1.00853.82 P ATOM 22048 O1P C B1083 -803.527-115.046 41.420 1.00853.82 O ATOM 22049 O2P C B1083 -804.125-117.363 42.349 1.00853.82 O ATOM 22050 O5* C B1083 -805.476-115.353 42.944 1.00853.82 O ATOM 22051 C5* C B1083 -805.716-113.948 42.926 1.00853.82 C ATOM 22052 C4* C B1083 -806.854-113.599 43.862 1.00853.82 C ATOM 22053 O4* C B1083 -808.049-114.309 43.454 1.00853.82 O ATOM 22054 C3* C B1083 -806.659-113.972 45.319 1.00853.82 C ATOM 22055 O3* C B1083 -805.964-112.939 46.005 1.00853.82 O ATOM 22056 C2* C B1083 -808.089-114.111 45.829 1.00853.82 C ATOM 22057 O2* C B1083 -808.655-112.869 46.196 1.00853.82 O ATOM 22058 C1* C B1083 -808.810-114.659 44.598 1.00853.82 C ATOM 22059 N1 C B1083 -808.953-116.124 44.634 1.00853.82 N ATOM 22060 C2 C B1083 -810.137-116.672 45.134 1.00853.82 C ATOM 22061 O2 C B1083 -811.037-115.908 45.521 1.00853.82 O ATOM 22062 N3 C B1083 -810.276-118.016 45.181 1.00853.82 N ATOM 22063 C4 C B1083 -809.286-118.802 44.754 1.00853.82 C ATOM 22064 N4 C B1083 -809.464-120.126 44.822 1.00853.82 N ATOM 22065 C5 C B1083 -808.069-118.272 44.240 1.00853.82 C ATOM 22066 C6 C B1083 -807.946-116.938 44.199 1.00853.82 C ATOM 22067 P A B1084 -805.112-113.296 47.320 1.00853.82 P ATOM 22068 O1P A B1084 -803.851-113.943 46.875 1.00853.82 O ATOM 22069 O2P A B1084 -806.000-114.003 48.276 1.00853.82 O ATOM 22070 O5* A B1084 -804.744-111.874 47.937 1.00853.82 O ATOM 22071 C5* A B1084 -805.685-111.149 48.722 1.00853.82 C ATOM 22072 C4* A B1084 -805.091-109.829 49.144 1.00853.82 C ATOM 22073 O4* A B1084 -803.854-110.077 49.863 1.00853.82 O ATOM 22074 C3* A B1084 -804.637-108.847 48.080 1.00853.82 C ATOM 22075 O3* A B1084 -805.755-108.137 47.560 1.00853.82 O ATOM 22076 C2* A B1084 -803.647-107.951 48.813 1.00853.82 C ATOM 22077 O2* A B1084 -804.275-106.884 49.495 1.00853.82 O ATOM 22078 C1* A B1084 -803.040-108.922 49.830 1.00853.82 C ATOM 22079 N9 A B1084 -801.687-109.349 49.476 1.00853.82 N ATOM 22080 C8 A B1084 -801.326-110.284 48.535 1.00853.82 C ATOM 22081 N7 A B1084 -800.034-110.461 48.431 1.00853.82 N ATOM 22082 C5 A B1084 -799.502-109.586 49.369 1.00853.82 C ATOM 22083 C6 A B1084 -798.180-109.297 49.749 1.00853.82 C ATOM 22084 N6 A B1084 -797.108-109.881 49.207 1.00853.82 N ATOM 22085 N1 A B1084 -797.993-108.375 50.717 1.00853.82 N ATOM 22086 C2 A B1084 -799.070-107.788 51.259 1.00853.82 C ATOM 22087 N3 A B1084 -800.360-107.976 50.984 1.00853.82 N ATOM 22088 C4 A B1084 -800.509-108.898 50.022 1.00853.82 C ATOM 22089 P G B1085 -805.892-107.914 45.975 1.00853.82 P ATOM 22090 O1P G B1085 -807.059-107.023 45.747 1.00853.82 O ATOM 22091 O2P G B1085 -805.839-109.242 45.313 1.00853.82 O ATOM 22092 O5* G B1085 -804.573-107.115 45.583 1.00853.82 O ATOM 22093 C5* G B1085 -804.343-105.795 46.070 1.00853.82 C ATOM 22094 C4* G B1085 -803.228-105.144 45.291 1.00853.82 C ATOM 22095 O4* G B1085 -802.047-105.988 45.349 1.00853.82 O ATOM 22096 C3* G B1085 -803.449-104.915 43.807 1.00853.82 C ATOM 22097 O3* G B1085 -804.198-103.729 43.571 1.00853.82 O ATOM 22098 C2* G B1085 -802.029-104.839 43.259 1.00853.82 C ATOM 22099 O2* G B1085 -801.454-103.557 43.413 1.00853.82 O ATOM 22100 C1* G B1085 -801.297-105.843 44.157 1.00853.82 C ATOM 22101 N9 G B1085 -801.156-107.162 43.547 1.00853.82 N ATOM 22102 C8 G B1085 -801.885-108.291 43.832 1.00853.82 C ATOM 22103 N7 G B1085 -801.525-109.328 43.122 1.00853.82 N ATOM 22104 C5 G B1085 -800.496-108.854 42.317 1.00853.82 C ATOM 22105 C6 G B1085 -799.707-109.524 41.334 1.00853.82 C ATOM 22106 O6 G B1085 -799.755-110.710 40.966 1.00853.82 O ATOM 22107 N1 G B1085 -798.781-108.662 40.757 1.00853.82 N ATOM 22108 C2 G B1085 -798.625-107.336 41.080 1.00853.82 C ATOM 22109 N2 G B1085 -797.672-106.671 40.413 1.00853.82 N ATOM 22110 N3 G B1085 -799.349-106.704 41.991 1.00853.82 N ATOM 22111 C4 G B1085 -800.259-107.518 42.564 1.00853.82 C ATOM 22112 P C B1086 -804.968-103.538 42.174 1.00853.82 P ATOM 22113 O1P C B1086 -805.863-102.362 42.315 1.00853.82 O ATOM 22114 O2P C B1086 -805.540-104.850 41.775 1.00853.82 O ATOM 22115 O5* C B1086 -803.811-103.164 41.147 1.00853.82 O ATOM 22116 C5* C B1086 -803.361-101.817 41.019 1.00853.82 C ATOM 22117 C4* C B1086 -802.484-101.666 39.798 1.00853.82 C ATOM 22118 O4* C B1086 -801.317-102.520 39.922 1.00853.82 O ATOM 22119 C3* C B1086 -803.111-102.056 38.481 1.00853.82 C ATOM 22120 O3* C B1086 -803.842-100.957 37.954 1.00853.82 O ATOM 22121 C2* C B1086 -801.902-102.402 37.616 1.00853.82 C ATOM 22122 O2* C B1086 -801.309-101.263 37.029 1.00853.82 O ATOM 22123 C1* C B1086 -800.946-103.006 38.642 1.00853.82 C ATOM 22124 N1 C B1086 -801.012-104.475 38.660 1.00853.82 N ATOM 22125 C2 C B1086 -800.347-105.191 37.658 1.00853.82 C ATOM 22126 O2 C B1086 -799.705-104.564 36.801 1.00853.82 O ATOM 22127 N3 C B1086 -800.424-106.540 37.648 1.00853.82 N ATOM 22128 C4 C B1086 -801.122-107.179 38.590 1.00853.82 C ATOM 22129 N4 C B1086 -801.172-108.512 38.539 1.00853.82 N ATOM 22130 C5 C B1086 -801.800-106.476 39.630 1.00853.82 C ATOM 22131 C6 C B1086 -801.717-105.139 39.627 1.00853.82 C ATOM 22132 P C B1087 -805.134-101.236 37.034 1.00853.82 P ATOM 22133 O1P C B1087 -805.580 -99.928 36.490 1.00853.82 O ATOM 22134 O2P C B1087 -806.084-102.074 37.809 1.00853.82 O ATOM 22135 O5* C B1087 -804.559-102.107 35.828 1.00853.82 O ATOM 22136 C5* C B1087 -803.706-101.512 34.858 1.00853.82 C ATOM 22137 C4* C B1087 -803.132-102.559 33.930 1.00853.82 C ATOM 22138 O4* C B1087 -802.381-103.556 34.673 1.00853.82 O ATOM 22139 C3* C B1087 -804.124-103.363 33.117 1.00853.82 C ATOM 22140 O3* C B1087 -804.540-102.647 31.962 1.00853.82 O ATOM 22141 C2* C B1087 -803.318-104.608 32.750 1.00853.82 C ATOM 22142 O2* C B1087 -802.497-104.407 31.616 1.00853.82 O ATOM 22143 C1* C B1087 -802.433-104.795 33.983 1.00853.82 C ATOM 22144 N1 C B1087 -802.943-105.834 34.892 1.00853.82 N ATOM 22145 C2 C B1087 -802.794-107.184 34.535 1.00853.82 C ATOM 22146 O2 C B1087 -802.224-107.470 33.464 1.00853.82 O ATOM 22147 N3 C B1087 -803.270-108.145 35.362 1.00853.82 N ATOM 22148 C4 C B1087 -803.875-107.798 36.506 1.00853.82 C ATOM 22149 N4 C B1087 -804.333-108.772 37.295 1.00853.82 N ATOM 22150 C5 C B1087 -804.043-106.432 36.892 1.00853.82 C ATOM 22151 C6 C B1087 -803.566-105.494 36.062 1.00853.82 C ATOM 22152 P A B1088 -805.944-103.010 31.269 1.00853.82 P ATOM 22153 O1P A B1088 -806.158-102.046 30.159 1.00853.82 O ATOM 22154 O2P A B1088 -806.973-103.149 32.333 1.00853.82 O ATOM 22155 O5* A B1088 -805.692-104.449 30.632 1.00853.82 O ATOM 22156 C5* A B1088 -804.763-104.609 29.569 1.00853.82 C ATOM 22157 C4* A B1088 -804.441-106.069 29.359 1.00853.82 C ATOM 22158 O4* A B1088 -803.904-106.627 30.582 1.00853.82 O ATOM 22159 C3* A B1088 -805.610-106.972 29.007 1.00853.82 C ATOM 22160 O3* A B1088 -805.863-106.934 27.605 1.00853.82 O ATOM 22161 C2* A B1088 -805.132-108.340 29.478 1.00853.82 C ATOM 22162 O2* A B1088 -804.328-109.000 28.532 1.00853.82 O ATOM 22163 C1* A B1088 -804.294-107.978 30.703 1.00853.82 C ATOM 22164 N9 A B1088 -805.067-108.118 31.935 1.00853.82 N ATOM 22165 C8 A B1088 -805.706-107.135 32.642 1.00853.82 C ATOM 22166 N7 A B1088 -806.348-107.577 33.698 1.00853.82 N ATOM 22167 C5 A B1088 -806.105-108.943 33.684 1.00853.82 C ATOM 22168 C6 A B1088 -806.511-109.980 34.537 1.00853.82 C ATOM 22169 N6 A B1088 -807.285-109.801 35.608 1.00853.82 N ATOM 22170 N1 A B1088 -806.092-111.232 34.246 1.00853.82 N ATOM 22171 C2 A B1088 -805.321-111.412 33.164 1.00853.82 C ATOM 22172 N3 A B1088 -804.878-110.519 32.288 1.00853.82 N ATOM 22173 C4 A B1088 -805.311-109.289 32.609 1.00853.82 C ATOM 22174 P C B1089 -807.376-107.007 27.070 1.00853.82 P ATOM 22175 O1P C B1089 -807.393-106.434 25.699 1.00853.82 O ATOM 22176 O2P C B1089 -808.262-106.434 28.115 1.00853.82 O ATOM 22177 O5* C B1089 -807.672-108.568 26.965 1.00853.82 O ATOM 22178 C5* C B1089 -806.656-109.483 26.560 1.00853.82 C ATOM 22179 C4* C B1089 -807.123-110.905 26.772 1.00853.82 C ATOM 22180 O4* C B1089 -807.571-111.067 28.142 1.00853.82 O ATOM 22181 C3* C B1089 -808.306-111.339 25.944 1.00853.82 C ATOM 22182 O3* C B1089 -807.835-111.787 24.682 1.00853.82 O ATOM 22183 C2* C B1089 -808.915-112.466 26.765 1.00853.82 C ATOM 22184 O2* C B1089 -808.269-113.704 26.553 1.00853.82 O ATOM 22185 C1* C B1089 -808.642-111.991 28.192 1.00853.82 C ATOM 22186 N1 C B1089 -809.804-111.305 28.778 1.00853.82 N ATOM 22187 C2 C B1089 -810.727-112.052 29.515 1.00853.82 C ATOM 22188 O2 C B1089 -810.535-113.271 29.656 1.00853.82 O ATOM 22189 N3 C B1089 -811.802-111.429 30.050 1.00853.82 N ATOM 22190 C4 C B1089 -811.973-110.117 29.871 1.00853.82 C ATOM 22191 N4 C B1089 -813.050-109.543 30.414 1.00853.82 N ATOM 22192 C5 C B1089 -811.045-109.333 29.127 1.00853.82 C ATOM 22193 C6 C B1089 -809.982-109.962 28.605 1.00853.82 C ATOM 22194 P C B1090 -808.785-111.665 23.395 1.00853.82 P ATOM 22195 O1P C B1090 -808.903-110.221 23.058 1.00853.82 O ATOM 22196 O2P C B1090 -810.013-112.465 23.633 1.00853.82 O ATOM 22197 O5* C B1090 -807.935-112.369 22.251 1.00853.82 O ATOM 22198 C5* C B1090 -807.975-113.780 22.087 1.00853.82 C ATOM 22199 C4* C B1090 -806.598-114.310 21.757 1.00853.82 C ATOM 22200 O4* C B1090 -805.665-113.968 22.818 1.00853.82 O ATOM 22201 C3* C B1090 -806.516-115.820 21.647 1.00853.82 C ATOM 22202 O3* C B1090 -806.896-116.246 20.349 1.00853.82 O ATOM 22203 C2* C B1090 -805.052-116.106 21.966 1.00853.82 C ATOM 22204 O2* C B1090 -804.212-115.925 20.843 1.00853.82 O ATOM 22205 C1* C B1090 -804.743-115.034 23.012 1.00853.82 C ATOM 22206 N1 C B1090 -804.871-115.519 24.402 1.00853.82 N ATOM 22207 C2 C B1090 -803.740-116.057 25.048 1.00853.82 C ATOM 22208 O2 C B1090 -802.663-116.113 24.441 1.00853.82 O ATOM 22209 N3 C B1090 -803.852-116.498 26.321 1.00853.82 N ATOM 22210 C4 C B1090 -805.025-116.421 26.953 1.00853.82 C ATOM 22211 N4 C B1090 -805.082-116.866 28.213 1.00853.82 N ATOM 22212 C5 C B1090 -806.191-115.885 26.323 1.00853.82 C ATOM 22213 C6 C B1090 -806.069-115.449 25.059 1.00853.82 C ATOM 22214 P C B1091 -807.992-117.405 20.190 1.00853.82 P ATOM 22215 O1P C B1091 -808.335-117.513 18.752 1.00853.82 O ATOM 22216 O2P C B1091 -809.069-117.165 21.186 1.00853.82 O ATOM 22217 O5* C B1091 -807.203-118.721 20.618 1.00853.82 O ATOM 22218 C5* C B1091 -806.046-119.130 19.903 1.00853.82 C ATOM 22219 C4* C B1091 -805.624-120.508 20.339 1.00853.82 C ATOM 22220 O4* C B1091 -805.285-120.506 21.753 1.00853.82 O ATOM 22221 C3* C B1091 -806.676-121.595 20.144 1.00853.82 C ATOM 22222 O3* C B1091 -806.031-122.805 19.760 1.00853.82 O ATOM 22223 C2* C B1091 -807.275-121.722 21.538 1.00853.82 C ATOM 22224 O2* C B1091 -807.857-122.978 21.820 1.00853.82 O ATOM 22225 C1* C B1091 -806.051-121.482 22.420 1.00853.82 C ATOM 22226 N1 C B1091 -806.362-121.008 23.780 1.00853.82 N ATOM 22227 C2 C B1091 -806.898-121.919 24.699 1.00853.82 C ATOM 22228 O2 C B1091 -807.072-123.096 24.350 1.00853.82 O ATOM 22229 N3 C B1091 -807.217-121.493 25.942 1.00853.82 N ATOM 22230 C4 C B1091 -807.016-120.218 26.282 1.00853.82 C ATOM 22231 N4 C B1091 -807.356-119.840 27.515 1.00853.82 N ATOM 22232 C5 C B1091 -806.460-119.273 25.367 1.00853.82 C ATOM 22233 C6 C B1091 -806.150-119.707 24.141 1.00853.82 C ATOM 22234 P U B1092 -806.903-124.045 19.232 1.00853.82 P ATOM 22235 O1P U B1092 -806.184-124.618 18.061 1.00853.82 O ATOM 22236 O2P U B1092 -808.317-123.623 19.084 1.00853.82 O ATOM 22237 O5* U B1092 -806.804-125.095 20.430 1.00853.82 O ATOM 22238 C5* U B1092 -805.532-125.558 20.871 1.00853.82 C ATOM 22239 C4* U B1092 -805.669-126.358 22.144 1.00853.82 C ATOM 22240 O4* U B1092 -806.161-125.525 23.225 1.00853.82 O ATOM 22241 C3* U B1092 -806.621-127.541 22.102 1.00853.82 C ATOM 22242 O3* U B1092 -805.995-128.683 21.535 1.00853.82 O ATOM 22243 C2* U B1092 -806.964-127.749 23.574 1.00853.82 C ATOM 22244 O2* U B1092 -806.005-128.529 24.251 1.00853.82 O ATOM 22245 C1* U B1092 -806.916-126.320 24.121 1.00853.82 C ATOM 22246 N1 U B1092 -808.236-125.708 24.316 1.00853.82 N ATOM 22247 C2 U B1092 -808.623-125.432 25.615 1.00853.82 C ATOM 22248 O2 U B1092 -807.924-125.682 26.580 1.00853.82 O ATOM 22249 N3 U B1092 -809.864-124.855 25.741 1.00853.82 N ATOM 22250 C4 U B1092 -810.735-124.531 24.725 1.00853.82 C ATOM 22251 O4 U B1092 -811.817-124.008 24.998 1.00853.82 O ATOM 22252 C5 U B1092 -810.265-124.852 23.412 1.00853.82 C ATOM 22253 C6 U B1092 -809.061-125.417 23.256 1.00853.82 C ATOM 22254 P U B1093 -806.778-129.569 20.447 1.00853.82 P ATOM 22255 O1P U B1093 -805.748-130.181 19.565 1.00853.82 O ATOM 22256 O2P U B1093 -807.852-128.737 19.851 1.00853.82 O ATOM 22257 O5* U B1093 -807.447-130.728 21.307 1.00853.82 O ATOM 22258 C5* U B1093 -806.774-131.964 21.499 1.00853.82 C ATOM 22259 C4* U B1093 -807.531-132.838 22.466 1.00853.82 C ATOM 22260 O4* U B1093 -807.746-132.121 23.708 1.00853.82 O ATOM 22261 C3* U B1093 -808.911-133.324 22.052 1.00853.82 C ATOM 22262 O3* U B1093 -808.797-134.487 21.239 1.00853.82 O ATOM 22263 C2* U B1093 -809.578-133.612 23.389 1.00853.82 C ATOM 22264 O2* U B1093 -809.229-134.881 23.909 1.00853.82 O ATOM 22265 C1* U B1093 -808.980-132.516 24.278 1.00853.82 C ATOM 22266 N1 U B1093 -809.842-131.332 24.369 1.00853.82 N ATOM 22267 C2 U B1093 -811.003-131.434 25.114 1.00853.82 C ATOM 22268 O2 U B1093 -811.333-132.458 25.687 1.00853.82 O ATOM 22269 N3 U B1093 -811.764-130.294 25.159 1.00853.82 N ATOM 22270 C4 U B1093 -811.484-129.086 24.551 1.00853.82 C ATOM 22271 O4 U B1093 -812.278-128.149 24.677 1.00853.82 O ATOM 22272 C5 U B1093 -810.268-129.061 23.804 1.00853.82 C ATOM 22273 C6 U B1093 -809.510-130.154 23.740 1.00853.82 C ATOM 22274 P C B1094 -810.120-135.308 20.844 1.00853.82 P ATOM 22275 O1P C B1094 -810.383-136.274 21.939 1.00853.82 O ATOM 22276 O2P C B1094 -809.965-135.797 19.452 1.00853.82 O ATOM 22277 O5* C B1094 -811.265-134.202 20.866 1.00853.82 O ATOM 22278 C5* C B1094 -812.523-134.486 21.472 1.00853.82 C ATOM 22279 C4* C B1094 -813.508-133.369 21.214 1.00853.82 C ATOM 22280 O4* C B1094 -813.014-132.119 21.748 1.00853.82 O ATOM 22281 C3* C B1094 -813.867-133.022 19.776 1.00853.82 C ATOM 22282 O3* C B1094 -814.841-133.930 19.264 1.00853.82 O ATOM 22283 C2* C B1094 -814.447-131.613 19.907 1.00853.82 C ATOM 22284 O2* C B1094 -815.826-131.626 20.213 1.00853.82 O ATOM 22285 C1* C B1094 -813.682-131.050 21.111 1.00853.82 C ATOM 22286 N1 C B1094 -812.726-129.977 20.796 1.00853.82 N ATOM 22287 C2 C B1094 -812.899-128.730 21.406 1.00853.82 C ATOM 22288 O2 C B1094 -813.839-128.580 22.201 1.00853.82 O ATOM 22289 N3 C B1094 -812.044-127.727 21.116 1.00853.82 N ATOM 22290 C4 C B1094 -811.042-127.929 20.259 1.00853.82 C ATOM 22291 N4 C B1094 -810.225-126.905 20.002 1.00853.82 N ATOM 22292 C5 C B1094 -810.836-129.191 19.629 1.00853.82 C ATOM 22293 C6 C B1094 -811.689-130.178 19.923 1.00853.82 C ATOM 22294 P A B1095 -815.268-133.853 17.713 1.00853.82 P ATOM 22295 O1P A B1095 -816.176-134.998 17.444 1.00853.82 O ATOM 22296 O2P A B1095 -814.044-133.676 16.894 1.00853.82 O ATOM 22297 O5* A B1095 -816.131-132.518 17.628 1.00853.82 O ATOM 22298 C5* A B1095 -816.332-131.841 16.390 1.00853.82 C ATOM 22299 C4* A B1095 -817.359-130.751 16.572 1.00853.82 C ATOM 22300 O4* A B1095 -818.616-131.328 17.000 1.00853.82 O ATOM 22301 C3* A B1095 -817.032-129.692 17.614 1.00853.82 C ATOM 22302 O3* A B1095 -816.192-128.684 17.060 1.00853.82 O ATOM 22303 C2* A B1095 -818.410-129.185 18.033 1.00853.82 C ATOM 22304 O2* A B1095 -818.910-128.188 17.166 1.00853.82 O ATOM 22305 C1* A B1095 -819.262-130.452 17.906 1.00853.82 C ATOM 22306 N9 A B1095 -819.469-131.184 19.156 1.00853.82 N ATOM 22307 C8 A B1095 -819.041-132.457 19.448 1.00853.82 C ATOM 22308 N7 A B1095 -819.406-132.879 20.634 1.00853.82 N ATOM 22309 C5 A B1095 -820.114-131.810 21.165 1.00853.82 C ATOM 22310 C6 A B1095 -820.770-131.631 22.395 1.00853.82 C ATOM 22311 N6 A B1095 -820.820-132.560 23.353 1.00853.82 N ATOM 22312 N1 A B1095 -821.376-130.445 22.616 1.00853.82 N ATOM 22313 C2 A B1095 -821.329-129.512 21.656 1.00853.82 C ATOM 22314 N3 A B1095 -820.749-129.567 20.456 1.00853.82 N ATOM 22315 C4 A B1095 -820.154-130.756 20.270 1.00853.82 C ATOM 22316 P A B1096 -815.207-127.859 18.016 1.00853.82 P ATOM 22317 O1P A B1096 -814.728-126.674 17.261 1.00853.82 O ATOM 22318 O2P A B1096 -814.221-128.800 18.606 1.00853.82 O ATOM 22319 O5* A B1096 -816.179-127.355 19.174 1.00853.82 O ATOM 22320 C5* A B1096 -815.663-126.733 20.340 1.00853.82 C ATOM 22321 C4* A B1096 -816.671-125.750 20.883 1.00853.82 C ATOM 22322 O4* A B1096 -817.928-126.416 21.148 1.00853.82 O ATOM 22323 C3* A B1096 -816.278-125.054 22.187 1.00853.82 C ATOM 22324 O3* A B1096 -815.446-123.918 21.990 1.00853.82 O ATOM 22325 C2* A B1096 -817.640-124.675 22.763 1.00853.82 C ATOM 22326 O2* A B1096 -818.127-123.463 22.227 1.00853.82 O ATOM 22327 C1* A B1096 -818.532-125.824 22.280 1.00853.82 C ATOM 22328 N9 A B1096 -818.837-126.864 23.265 1.00853.82 N ATOM 22329 C8 A B1096 -819.646-126.741 24.365 1.00853.82 C ATOM 22330 N7 A B1096 -819.769-127.843 25.063 1.00853.82 N ATOM 22331 C5 A B1096 -818.973-128.755 24.381 1.00853.82 C ATOM 22332 C6 A B1096 -818.686-130.111 24.611 1.00853.82 C ATOM 22333 N6 A B1096 -819.185-130.814 25.633 1.00853.82 N ATOM 22334 N1 A B1096 -817.855-130.732 23.744 1.00853.82 N ATOM 22335 C2 A B1096 -817.361-130.029 22.720 1.00853.82 C ATOM 22336 N3 A B1096 -817.562-128.753 22.394 1.00853.82 N ATOM 22337 C4 A B1096 -818.389-128.164 23.275 1.00853.82 C ATOM 22338 P A B1097 -814.148-123.708 22.915 1.00853.82 P ATOM 22339 O1P A B1097 -813.493-122.449 22.484 1.00853.82 O ATOM 22340 O2P A B1097 -813.375-124.977 22.928 1.00853.82 O ATOM 22341 O5* A B1097 -814.764-123.480 24.364 1.00853.82 O ATOM 22342 C5* A B1097 -815.455-122.275 24.671 1.00853.82 C ATOM 22343 C4* A B1097 -816.034-122.349 26.059 1.00853.82 C ATOM 22344 O4* A B1097 -816.990-123.433 26.149 1.00853.82 O ATOM 22345 C3* A B1097 -815.044-122.588 27.195 1.00853.82 C ATOM 22346 O3* A B1097 -814.451-121.366 27.619 1.00853.82 O ATOM 22347 C2* A B1097 -815.918-123.220 28.275 1.00853.82 C ATOM 22348 O2* A B1097 -816.586-122.258 29.067 1.00853.82 O ATOM 22349 C1* A B1097 -816.950-123.994 27.447 1.00853.82 C ATOM 22350 N9 A B1097 -816.728-125.436 27.337 1.00853.82 N ATOM 22351 C8 A B1097 -817.692-126.413 27.296 1.00853.82 C ATOM 22352 N7 A B1097 -817.214-127.626 27.200 1.00853.82 N ATOM 22353 C5 A B1097 -815.839-127.443 27.174 1.00853.82 C ATOM 22354 C6 A B1097 -814.766-128.350 27.089 1.00853.82 C ATOM 22355 N6 A B1097 -814.916-129.672 27.006 1.00853.82 N ATOM 22356 N1 A B1097 -813.514-127.839 27.086 1.00853.82 N ATOM 22357 C2 A B1097 -813.365-126.510 27.169 1.00853.82 C ATOM 22358 N3 A B1097 -814.291-125.559 27.258 1.00853.82 N ATOM 22359 C4 A B1097 -815.524-126.099 27.258 1.00853.82 C ATOM 22360 P G B1098 -813.115-121.394 28.511 1.00853.82 P ATOM 22361 O1P G B1098 -812.002-121.875 27.657 1.00853.82 O ATOM 22362 O2P G B1098 -813.436-122.111 29.770 1.00853.82 O ATOM 22363 O5* G B1098 -812.848-119.864 28.871 1.00853.82 O ATOM 22364 C5* G B1098 -813.115-118.814 27.938 1.00853.82 C ATOM 22365 C4* G B1098 -813.845-117.698 28.641 1.00853.82 C ATOM 22366 O4* G B1098 -815.134-118.193 29.063 1.00853.82 O ATOM 22367 C3* G B1098 -813.179-117.189 29.917 1.00853.82 C ATOM 22368 O3* G B1098 -812.246-116.160 29.620 1.00853.82 O ATOM 22369 C2* G B1098 -814.356-116.688 30.746 1.00853.82 C ATOM 22370 O2* G B1098 -814.738-115.368 30.406 1.00853.82 O ATOM 22371 C1* G B1098 -815.466-117.651 30.322 1.00853.82 C ATOM 22372 N9 G B1098 -815.755-118.778 31.201 1.00853.82 N ATOM 22373 C8 G B1098 -815.386-120.096 31.082 1.00853.82 C ATOM 22374 N7 G B1098 -815.889-120.851 32.026 1.00853.82 N ATOM 22375 C5 G B1098 -816.615-119.966 32.813 1.00853.82 C ATOM 22376 C6 G B1098 -817.402-120.175 33.991 1.00853.82 C ATOM 22377 O6 G B1098 -817.625-121.216 34.598 1.00853.82 O ATOM 22378 N1 G B1098 -817.957-118.987 34.446 1.00853.82 N ATOM 22379 C2 G B1098 -817.789-117.762 33.856 1.00853.82 C ATOM 22380 N2 G B1098 -818.403-116.731 34.417 1.00853.82 N ATOM 22381 N3 G B1098 -817.071-117.556 32.784 1.00853.82 N ATOM 22382 C4 G B1098 -816.523-118.688 32.317 1.00853.82 C ATOM 22383 P A B1099 -810.677-116.493 29.556 1.00853.82 P ATOM 22384 O1P A B1099 -810.166-115.912 28.285 1.00853.82 O ATOM 22385 O2P A B1099 -810.503-117.940 29.824 1.00853.82 O ATOM 22386 O5* A B1099 -810.050-115.670 30.772 1.00853.82 O ATOM 22387 C5* A B1099 -810.144-116.162 32.104 1.00853.82 C ATOM 22388 C4* A B1099 -809.264-115.349 33.029 1.00853.82 C ATOM 22389 O4* A B1099 -807.870-115.483 32.627 1.00853.82 O ATOM 22390 C3* A B1099 -809.569-113.873 33.036 1.00853.82 C ATOM 22391 O3* A B1099 -809.336-113.341 34.339 1.00853.82 O ATOM 22392 C2* A B1099 -808.510-113.305 32.093 1.00853.82 C ATOM 22393 O2* A B1099 -808.168-111.961 32.323 1.00853.82 O ATOM 22394 C1* A B1099 -807.328-114.197 32.447 1.00853.82 C ATOM 22395 N9 A B1099 -806.225-114.237 31.492 1.00853.82 N ATOM 22396 C8 A B1099 -805.976-113.411 30.425 1.00853.82 C ATOM 22397 N7 A B1099 -804.841-113.661 29.819 1.00853.82 N ATOM 22398 C5 A B1099 -804.315-114.734 30.523 1.00853.82 C ATOM 22399 C6 A B1099 -803.125-115.465 30.388 1.00853.82 C ATOM 22400 N6 A B1099 -802.192-115.202 29.470 1.00853.82 N ATOM 22401 N1 A B1099 -802.914-116.486 31.249 1.00853.82 N ATOM 22402 C2 A B1099 -803.845-116.740 32.177 1.00853.82 C ATOM 22403 N3 A B1099 -804.993-116.118 32.413 1.00853.82 N ATOM 22404 C4 A B1099 -805.172-115.114 31.539 1.00853.82 C ATOM 22405 P G B1100 -810.559-113.120 35.363 1.00853.82 P ATOM 22406 O1P G B1100 -811.535-112.165 34.785 1.00853.82 O ATOM 22407 O2P G B1100 -809.963-112.842 36.693 1.00853.82 O ATOM 22408 O5* G B1100 -811.271-114.540 35.429 1.00853.82 O ATOM 22409 C5* G B1100 -812.686-114.658 35.336 1.00853.82 C ATOM 22410 C4* G B1100 -813.223-115.300 36.591 1.00853.82 C ATOM 22411 O4* G B1100 -812.999-116.728 36.487 1.00853.82 O ATOM 22412 C3* G B1100 -812.566-114.849 37.900 1.00853.82 C ATOM 22413 O3* G B1100 -813.553-114.794 38.917 1.00853.82 O ATOM 22414 C2* G B1100 -811.570-115.968 38.203 1.00853.82 C ATOM 22415 O2* G B1100 -811.347-116.148 39.585 1.00853.82 O ATOM 22416 C1* G B1100 -812.272-117.184 37.605 1.00853.82 C ATOM 22417 N9 G B1100 -811.356-118.220 37.139 1.00853.82 N ATOM 22418 C8 G B1100 -810.533-118.159 36.041 1.00853.82 C ATOM 22419 N7 G B1100 -809.851-119.255 35.848 1.00853.82 N ATOM 22420 C5 G B1100 -810.239-120.087 36.887 1.00853.82 C ATOM 22421 C6 G B1100 -809.843-121.412 37.202 1.00853.82 C ATOM 22422 O6 G B1100 -809.048-122.142 36.597 1.00853.82 O ATOM 22423 N1 G B1100 -810.479-121.880 38.346 1.00853.82 N ATOM 22424 C2 G B1100 -811.383-121.165 39.093 1.00853.82 C ATOM 22425 N2 G B1100 -811.880-121.794 40.170 1.00853.82 N ATOM 22426 N3 G B1100 -811.769-119.932 38.808 1.00853.82 N ATOM 22427 C4 G B1100 -811.162-119.459 37.700 1.00853.82 C ATOM 22428 P U B1101 -813.376-113.778 40.149 1.00853.82 P ATOM 22429 O1P U B1101 -812.808-112.518 39.607 1.00853.82 O ATOM 22430 O2P U B1101 -812.674-114.486 41.252 1.00853.82 O ATOM 22431 O5* U B1101 -814.872-113.491 40.607 1.00853.82 O ATOM 22432 C5* U B1101 -815.669-112.511 39.954 1.00853.82 C ATOM 22433 C4* U B1101 -817.096-112.613 40.432 1.00853.82 C ATOM 22434 O4* U B1101 -817.782-113.626 39.652 1.00853.82 O ATOM 22435 C3* U B1101 -817.196-113.113 41.861 1.00853.82 C ATOM 22436 O3* U B1101 -817.068-112.064 42.812 1.00853.82 O ATOM 22437 C2* U B1101 -818.563-113.782 41.891 1.00853.82 C ATOM 22438 O2* U B1101 -819.621-112.862 42.072 1.00853.82 O ATOM 22439 C1* U B1101 -818.633-114.389 40.488 1.00853.82 C ATOM 22440 N1 U B1101 -818.145-115.773 40.477 1.00853.82 N ATOM 22441 C2 U B1101 -818.990-116.763 40.945 1.00853.82 C ATOM 22442 O2 U B1101 -820.127-116.538 41.329 1.00853.82 O ATOM 22443 N3 U B1101 -818.457-118.027 40.944 1.00853.82 N ATOM 22444 C4 U B1101 -817.196-118.395 40.529 1.00853.82 C ATOM 22445 O4 U B1101 -816.853-119.576 40.614 1.00853.82 O ATOM 22446 C5 U B1101 -816.388-117.321 40.045 1.00853.82 C ATOM 22447 C6 U B1101 -816.878-116.077 40.033 1.00853.82 C ATOM 22448 P G B1102 -816.005-112.211 44.008 1.00853.82 P ATOM 22449 O1P G B1102 -815.768-110.858 44.568 1.00853.82 O ATOM 22450 O2P G B1102 -814.857-113.014 43.513 1.00853.82 O ATOM 22451 O5* G B1102 -816.782-113.077 45.095 1.00853.82 O ATOM 22452 C5* G B1102 -818.119-112.748 45.460 1.00853.82 C ATOM 22453 C4* G B1102 -818.896-113.998 45.784 1.00853.82 C ATOM 22454 O4* G B1102 -818.957-114.872 44.626 1.00853.82 O ATOM 22455 C3* G B1102 -818.340-114.877 46.893 1.00853.82 C ATOM 22456 O3* G B1102 -818.701-114.392 48.182 1.00853.82 O ATOM 22457 C2* G B1102 -818.959-116.236 46.584 1.00853.82 C ATOM 22458 O2* G B1102 -820.271-116.359 47.093 1.00853.82 O ATOM 22459 C1* G B1102 -819.001-116.222 45.053 1.00853.82 C ATOM 22460 N9 G B1102 -817.892-116.952 44.443 1.00853.82 N ATOM 22461 C8 G B1102 -816.811-116.431 43.777 1.00853.82 C ATOM 22462 N7 G B1102 -815.976-117.346 43.357 1.00853.82 N ATOM 22463 C5 G B1102 -816.542-118.544 43.770 1.00853.82 C ATOM 22464 C6 G B1102 -816.096-119.892 43.607 1.00853.82 C ATOM 22465 O6 G B1102 -815.067-120.315 43.050 1.00853.82 O ATOM 22466 N1 G B1102 -816.982-120.797 44.184 1.00853.82 N ATOM 22467 C2 G B1102 -818.146-120.458 44.826 1.00853.82 C ATOM 22468 N2 G B1102 -818.869-121.473 45.308 1.00853.82 N ATOM 22469 N3 G B1102 -818.571-119.218 44.990 1.00853.82 N ATOM 22470 C4 G B1102 -817.727-118.318 44.440 1.00853.82 C ATOM 22471 P C B1103 -817.701-114.619 49.417 1.00853.82 P ATOM 22472 O1P C B1103 -818.354-114.065 50.631 1.00853.82 O ATOM 22473 O2P C B1103 -816.348-114.147 49.026 1.00853.82 O ATOM 22474 O5* C B1103 -817.662-116.206 49.554 1.00853.82 O ATOM 22475 C5* C B1103 -816.615-116.856 50.262 1.00853.82 C ATOM 22476 C4* C B1103 -816.963-118.309 50.476 1.00853.82 C ATOM 22477 O4* C B1103 -817.264-118.934 49.198 1.00853.82 O ATOM 22478 C3* C B1103 -815.857-119.154 51.048 1.00853.82 C ATOM 22479 O3* C B1103 -815.840-119.026 52.461 1.00853.82 O ATOM 22480 C2* C B1103 -816.222-120.559 50.585 1.00853.82 C ATOM 22481 O2* C B1103 -817.188-121.169 51.418 1.00853.82 O ATOM 22482 C1* C B1103 -816.828-120.284 49.211 1.00853.82 C ATOM 22483 N1 C B1103 -815.843-120.461 48.130 1.00853.82 N ATOM 22484 C2 C B1103 -815.901-121.618 47.341 1.00853.82 C ATOM 22485 O2 C B1103 -816.794-122.450 47.559 1.00853.82 O ATOM 22486 N3 C B1103 -814.988-121.797 46.361 1.00853.82 N ATOM 22487 C4 C B1103 -814.043-120.876 46.154 1.00853.82 C ATOM 22488 N4 C B1103 -813.156-121.097 45.180 1.00853.82 N ATOM 22489 C5 C B1103 -813.961-119.689 46.939 1.00853.82 C ATOM 22490 C6 C B1103 -814.874-119.523 47.905 1.00853.82 C ATOM 22491 P G B1104 -814.781-118.033 53.148 1.00853.82 P ATOM 22492 O1P G B1104 -815.452-117.378 54.295 1.00853.82 O ATOM 22493 O2P G B1104 -814.167-117.202 52.082 1.00853.82 O ATOM 22494 O5* G B1104 -813.668-119.022 53.713 1.00853.82 O ATOM 22495 C5* G B1104 -814.039-120.220 54.383 1.00853.82 C ATOM 22496 C4* G B1104 -813.079-121.333 54.037 1.00853.82 C ATOM 22497 O4* G B1104 -813.166-121.656 52.622 1.00853.82 O ATOM 22498 C3* G B1104 -811.627-120.975 54.265 1.00853.82 C ATOM 22499 O3* G B1104 -811.266-121.180 55.618 1.00853.82 O ATOM 22500 C2* G B1104 -810.897-121.897 53.297 1.00853.82 C ATOM 22501 O2* G B1104 -810.713-123.199 53.814 1.00853.82 O ATOM 22502 C1* G B1104 -811.870-121.933 52.119 1.00853.82 C ATOM 22503 N9 G B1104 -811.528-120.895 51.149 1.00853.82 N ATOM 22504 C8 G B1104 -812.111-119.660 51.016 1.00853.82 C ATOM 22505 N7 G B1104 -811.556-118.928 50.094 1.00853.82 N ATOM 22506 C5 G B1104 -810.549-119.731 49.574 1.00853.82 C ATOM 22507 C6 G B1104 -809.603-119.474 48.550 1.00853.82 C ATOM 22508 O6 G B1104 -809.453-118.446 47.881 1.00853.82 O ATOM 22509 N1 G B1104 -808.772-120.567 48.335 1.00853.82 N ATOM 22510 C2 G B1104 -808.837-121.755 49.020 1.00853.82 C ATOM 22511 N2 G B1104 -807.950-122.694 48.660 1.00853.82 N ATOM 22512 N3 G B1104 -809.708-122.005 49.987 1.00853.82 N ATOM 22513 C4 G B1104 -810.528-120.958 50.205 1.00853.82 C ATOM 22514 P U B1105 -810.630-119.965 56.454 1.00853.82 P ATOM 22515 O1P U B1105 -810.025-120.518 57.689 1.00853.82 O ATOM 22516 O2P U B1105 -811.655-118.892 56.552 1.00853.82 O ATOM 22517 O5* U B1105 -809.460-119.440 55.504 1.00853.82 O ATOM 22518 C5* U B1105 -808.276-120.207 55.327 1.00853.82 C ATOM 22519 C4* U B1105 -807.312-119.485 54.421 1.00853.82 C ATOM 22520 O4* U B1105 -807.875-119.363 53.089 1.00853.82 O ATOM 22521 C3* U B1105 -806.968-118.067 54.813 1.00853.82 C ATOM 22522 O3* U B1105 -805.948-118.047 55.805 1.00853.82 O ATOM 22523 C2* U B1105 -806.513-117.449 53.496 1.00853.82 C ATOM 22524 O2* U B1105 -805.158-117.731 53.205 1.00853.82 O ATOM 22525 C1* U B1105 -807.411-118.167 52.483 1.00853.82 C ATOM 22526 N1 U B1105 -808.575-117.358 52.092 1.00853.82 N ATOM 22527 C2 U B1105 -808.414-116.471 51.045 1.00853.82 C ATOM 22528 O2 U B1105 -807.363-116.346 50.440 1.00853.82 O ATOM 22529 N3 U B1105 -809.529-115.737 50.732 1.00853.82 N ATOM 22530 C4 U B1105 -810.764-115.798 51.345 1.00853.82 C ATOM 22531 O4 U B1105 -811.671-115.064 50.951 1.00853.82 O ATOM 22532 C5 U B1105 -810.851-116.741 52.415 1.00853.82 C ATOM 22533 C6 U B1105 -809.781-117.472 52.743 1.00853.82 C ATOM 22534 P A B1106 -805.484-116.640 56.428 1.00853.82 P ATOM 22535 O1P A B1106 -804.610-116.931 57.592 1.00853.82 O ATOM 22536 O2P A B1106 -806.691-115.792 56.611 1.00853.82 O ATOM 22537 O5* A B1106 -804.591-115.994 55.282 1.00853.82 O ATOM 22538 C5* A B1106 -804.262-114.607 55.301 1.00853.82 C ATOM 22539 C4* A B1106 -802.869-114.397 54.761 1.00853.82 C ATOM 22540 O4* A B1106 -801.903-114.994 55.662 1.00853.82 O ATOM 22541 C3* A B1106 -802.610-115.042 53.410 1.00853.82 C ATOM 22542 O3* A B1106 -803.013-114.174 52.358 1.00853.82 O ATOM 22543 C2* A B1106 -801.104-115.291 53.433 1.00853.82 C ATOM 22544 O2* A B1106 -800.359-114.153 53.053 1.00853.82 O ATOM 22545 C1* A B1106 -800.858-115.593 54.913 1.00853.82 C ATOM 22546 N9 A B1106 -800.838-117.021 55.236 1.00853.82 N ATOM 22547 C8 A B1106 -801.813-117.754 55.866 1.00853.82 C ATOM 22548 N7 A B1106 -801.502-119.015 56.028 1.00853.82 N ATOM 22549 C5 A B1106 -800.240-119.125 55.462 1.00853.82 C ATOM 22550 C6 A B1106 -799.360-120.214 55.313 1.00853.82 C ATOM 22551 N6 A B1106 -799.631-121.446 55.743 1.00853.82 N ATOM 22552 N1 A B1106 -798.179-119.984 54.700 1.00853.82 N ATOM 22553 C2 A B1106 -797.909-118.748 54.268 1.00853.82 C ATOM 22554 N3 A B1106 -798.651-117.645 54.349 1.00853.82 N ATOM 22555 C4 A B1106 -799.819-117.906 54.965 1.00853.82 C ATOM 22556 P A B1107 -804.197-114.618 51.366 1.00853.82 P ATOM 22557 O1P A B1107 -804.381-113.527 50.376 1.00853.82 O ATOM 22558 O2P A B1107 -805.350-115.066 52.187 1.00853.82 O ATOM 22559 O5* A B1107 -803.608-115.885 50.599 1.00853.82 O ATOM 22560 C5* A B1107 -802.808-115.723 49.430 1.00853.82 C ATOM 22561 C4* A B1107 -802.218-117.049 49.016 1.00853.82 C ATOM 22562 O4* A B1107 -801.358-117.542 50.073 1.00853.82 O ATOM 22563 C3* A B1107 -803.175-118.193 48.770 1.00853.82 C ATOM 22564 O3* A B1107 -803.733-118.108 47.467 1.00853.82 O ATOM 22565 C2* A B1107 -802.292-119.419 48.948 1.00853.82 C ATOM 22566 O2* A B1107 -801.540-119.727 47.790 1.00853.82 O ATOM 22567 C1* A B1107 -801.355-118.961 50.068 1.00853.82 C ATOM 22568 N9 A B1107 -801.833-119.426 51.368 1.00853.82 N ATOM 22569 C8 A B1107 -802.412-118.684 52.368 1.00853.82 C ATOM 22570 N7 A B1107 -802.764-119.391 53.415 1.00853.82 N ATOM 22571 C5 A B1107 -802.390-120.684 53.083 1.00853.82 C ATOM 22572 C6 A B1107 -802.491-121.906 53.773 1.00853.82 C ATOM 22573 N6 A B1107 -803.026-122.026 54.989 1.00853.82 N ATOM 22574 N1 A B1107 -802.015-123.012 53.163 1.00853.82 N ATOM 22575 C2 A B1107 -801.476-122.888 51.943 1.00853.82 C ATOM 22576 N3 A B1107 -801.323-121.800 51.193 1.00853.82 N ATOM 22577 C4 A B1107 -801.807-120.719 51.829 1.00853.82 C ATOM 22578 P U B1108 -804.851-119.173 47.022 1.00853.82 P ATOM 22579 O1P U B1108 -805.405-118.737 45.718 1.00853.82 O ATOM 22580 O2P U B1108 -805.767-119.390 48.175 1.00853.82 O ATOM 22581 O5* U B1108 -804.013-120.513 46.795 1.00853.82 O ATOM 22582 C5* U B1108 -804.661-121.743 46.486 1.00853.82 C ATOM 22583 C4* U B1108 -803.635-122.803 46.159 1.00853.82 C ATOM 22584 O4* U B1108 -802.754-122.994 47.301 1.00853.82 O ATOM 22585 C3* U B1108 -804.181-124.179 45.883 1.00853.82 C ATOM 22586 O3* U B1108 -804.598-124.272 44.527 1.00853.82 O ATOM 22587 C2* U B1108 -802.993-125.088 46.193 1.00853.82 C ATOM 22588 O2* U B1108 -802.082-125.189 45.118 1.00853.82 O ATOM 22589 C1* U B1108 -802.340-124.350 47.361 1.00853.82 C ATOM 22590 N1 U B1108 -802.761-124.911 48.652 1.00853.82 N ATOM 22591 C2 U B1108 -802.155-126.079 49.074 1.00853.82 C ATOM 22592 O2 U B1108 -801.275-126.636 48.438 1.00853.82 O ATOM 22593 N3 U B1108 -802.614-126.574 50.271 1.00853.82 N ATOM 22594 C4 U B1108 -803.594-126.026 51.073 1.00853.82 C ATOM 22595 O4 U B1108 -803.916-126.603 52.111 1.00853.82 O ATOM 22596 C5 U B1108 -804.164-124.812 50.574 1.00853.82 C ATOM 22597 C6 U B1108 -803.738-124.307 49.414 1.00853.82 C ATOM 22598 P A B1109 -806.038-124.901 44.187 1.00853.82 P ATOM 22599 O1P A B1109 -806.019-125.306 42.756 1.00853.82 O ATOM 22600 O2P A B1109 -807.084-123.973 44.673 1.00853.82 O ATOM 22601 O5* A B1109 -806.086-126.222 45.076 1.00853.82 O ATOM 22602 C5* A B1109 -805.291-127.345 44.726 1.00853.82 C ATOM 22603 C4* A B1109 -805.560-128.514 45.643 1.00853.82 C ATOM 22604 O4* A B1109 -805.152-128.164 46.983 1.00853.82 O ATOM 22605 C3* A B1109 -807.031-128.900 45.749 1.00853.82 C ATOM 22606 O3* A B1109 -807.427-129.818 44.729 1.00853.82 O ATOM 22607 C2* A B1109 -807.100-129.529 47.134 1.00853.82 C ATOM 22608 O2* A B1109 -806.699-130.886 47.136 1.00853.82 O ATOM 22609 C1* A B1109 -806.073-128.696 47.909 1.00853.82 C ATOM 22610 N9 A B1109 -806.679-127.564 48.603 1.00853.82 N ATOM 22611 C8 A B1109 -806.467-126.228 48.368 1.00853.82 C ATOM 22612 N7 A B1109 -807.158-125.440 49.151 1.00853.82 N ATOM 22613 C5 A B1109 -807.872-126.311 49.957 1.00853.82 C ATOM 22614 C6 A B1109 -808.792-126.100 50.992 1.00853.82 C ATOM 22615 N6 A B1109 -809.165-124.885 51.410 1.00853.82 N ATOM 22616 N1 A B1109 -809.324-127.185 51.593 1.00853.82 N ATOM 22617 C2 A B1109 -808.949-128.399 51.170 1.00853.82 C ATOM 22618 N3 A B1109 -808.095-128.728 50.203 1.00853.82 N ATOM 22619 C4 A B1109 -807.586-127.625 49.631 1.00853.82 C ATOM 22620 P G B1110 -808.774-129.550 43.892 1.00853.82 P ATOM 22621 O1P G B1110 -808.992-130.716 43.000 1.00853.82 O ATOM 22622 O2P G B1110 -808.694-128.185 43.309 1.00853.82 O ATOM 22623 O5* G B1110 -809.929-129.551 44.987 1.00853.82 O ATOM 22624 C5* G B1110 -810.293-130.748 45.677 1.00853.82 C ATOM 22625 C4* G B1110 -811.505-130.497 46.543 1.00853.82 C ATOM 22626 O4* G B1110 -811.157-129.556 47.594 1.00853.82 O ATOM 22627 C3* G B1110 -812.696-129.864 45.846 1.00853.82 C ATOM 22628 O3* G B1110 -813.504-130.832 45.189 1.00853.82 O ATOM 22629 C2* G B1110 -813.425-129.165 46.988 1.00853.82 C ATOM 22630 O2* G B1110 -814.265-130.037 47.718 1.00853.82 O ATOM 22631 C1* G B1110 -812.260-128.710 47.868 1.00853.82 C ATOM 22632 N9 G B1110 -811.853-127.339 47.578 1.00853.82 N ATOM 22633 C8 G B1110 -810.643-126.927 47.071 1.00853.82 C ATOM 22634 N7 G B1110 -810.571-125.638 46.903 1.00853.82 N ATOM 22635 C5 G B1110 -811.805-125.165 47.324 1.00853.82 C ATOM 22636 C6 G B1110 -812.313-123.842 47.373 1.00853.82 C ATOM 22637 O6 G B1110 -811.757-122.789 47.037 1.00853.82 O ATOM 22638 N1 G B1110 -813.611-123.812 47.869 1.00853.82 N ATOM 22639 C2 G B1110 -814.331-124.910 48.267 1.00853.82 C ATOM 22640 N2 G B1110 -815.572-124.670 48.720 1.00853.82 N ATOM 22641 N3 G B1110 -813.870-126.149 48.229 1.00853.82 N ATOM 22642 C4 G B1110 -812.609-126.201 47.748 1.00853.82 C ATOM 22643 P C B1111 -814.303-130.420 43.860 1.00853.82 P ATOM 22644 O1P C B1111 -814.861-131.660 43.267 1.00853.82 O ATOM 22645 O2P C B1111 -813.429-129.544 43.038 1.00853.82 O ATOM 22646 O5* C B1111 -815.517-129.544 44.406 1.00853.82 O ATOM 22647 C5* C B1111 -816.467-130.101 45.304 1.00853.82 C ATOM 22648 C4* C B1111 -817.569-129.105 45.577 1.00853.82 C ATOM 22649 O4* C B1111 -817.030-127.951 46.273 1.00853.82 O ATOM 22650 C3* C B1111 -818.241-128.533 44.342 1.00853.82 C ATOM 22651 O3* C B1111 -819.264-129.391 43.858 1.00853.82 O ATOM 22652 C2* C B1111 -818.784-127.201 44.842 1.00853.82 C ATOM 22653 O2* C B1111 -820.027-127.328 45.503 1.00853.82 O ATOM 22654 C1* C B1111 -817.706-126.781 45.846 1.00853.82 C ATOM 22655 N1 C B1111 -816.724-125.852 45.255 1.00853.82 N ATOM 22656 C2 C B1111 -817.053-124.496 45.183 1.00853.82 C ATOM 22657 O2 C B1111 -818.136-124.121 45.647 1.00853.82 O ATOM 22658 N3 C B1111 -816.184-123.631 44.617 1.00853.82 N ATOM 22659 C4 C B1111 -815.020-124.073 44.138 1.00853.82 C ATOM 22660 N4 C B1111 -814.200-123.178 43.573 1.00853.82 N ATOM 22661 C5 C B1111 -814.648-125.452 44.213 1.00853.82 C ATOM 22662 C6 C B1111 -815.525-126.300 44.775 1.00853.82 C ATOM 22663 P U B1112 -819.806-129.196 42.360 1.00853.82 P ATOM 22664 O1P U B1112 -820.740-130.313 42.060 1.00853.82 O ATOM 22665 O2P U B1112 -818.631-128.967 41.488 1.00853.82 O ATOM 22666 O5* U B1112 -820.642-127.841 42.435 1.00853.82 O ATOM 22667 C5* U B1112 -820.801-127.008 41.291 1.00853.82 C ATOM 22668 C4* U B1112 -820.754-125.556 41.702 1.00853.82 C ATOM 22669 O4* U B1112 -819.516-125.298 42.412 1.00853.82 O ATOM 22670 C3* U B1112 -820.787-124.543 40.567 1.00853.82 C ATOM 22671 O3* U B1112 -822.128-124.214 40.195 1.00853.82 O ATOM 22672 C2* U B1112 -820.075-123.337 41.172 1.00853.82 C ATOM 22673 O2* U B1112 -820.942-122.530 41.941 1.00853.82 O ATOM 22674 C1* U B1112 -819.053-123.999 42.104 1.00853.82 C ATOM 22675 N1 U B1112 -817.693-124.099 41.553 1.00853.82 N ATOM 22676 C2 U B1112 -816.968-122.931 41.409 1.00853.82 C ATOM 22677 O2 U B1112 -817.411-121.833 41.706 1.00853.82 O ATOM 22678 N3 U B1112 -815.701-123.094 40.907 1.00853.82 N ATOM 22679 C4 U B1112 -815.100-124.279 40.537 1.00853.82 C ATOM 22680 O4 U B1112 -813.941-124.266 40.120 1.00853.82 O ATOM 22681 C5 U B1112 -815.917-125.442 40.707 1.00853.82 C ATOM 22682 C6 U B1112 -817.156-125.315 41.198 1.00853.82 C ATOM 22683 P C B1113 -822.431-123.573 38.751 1.00853.82 P ATOM 22684 O1P C B1113 -823.554-124.346 38.164 1.00853.82 O ATOM 22685 O2P C B1113 -821.148-123.462 38.012 1.00853.82 O ATOM 22686 O5* C B1113 -822.939-122.095 39.077 1.00853.82 O ATOM 22687 C5* C B1113 -823.240-121.205 38.011 1.00853.82 C ATOM 22688 C4* C B1113 -823.079-119.758 38.421 1.00853.82 C ATOM 22689 O4* C B1113 -821.837-119.710 39.168 1.00853.82 O ATOM 22690 C3* C B1113 -822.886-118.828 37.260 1.00853.82 C ATOM 22691 O3* C B1113 -824.136-118.243 36.870 1.00853.82 O ATOM 22692 C2* C B1113 -821.998-117.748 37.869 1.00853.82 C ATOM 22693 O2* C B1113 -822.754-116.826 38.629 1.00853.82 O ATOM 22694 C1* C B1113 -821.114-118.553 38.826 1.00853.82 C ATOM 22695 N1 C B1113 -819.806-118.995 38.298 1.00853.82 N ATOM 22696 C2 C B1113 -818.948-118.063 37.714 1.00853.82 C ATOM 22697 O2 C B1113 -819.304-116.890 37.609 1.00853.82 O ATOM 22698 N3 C B1113 -817.746-118.469 37.269 1.00853.82 N ATOM 22699 C4 C B1113 -817.390-119.744 37.366 1.00853.82 C ATOM 22700 N4 C B1113 -816.183-120.085 36.902 1.00853.82 N ATOM 22701 C5 C B1113 -818.243-120.721 37.945 1.00853.82 C ATOM 22702 C6 C B1113 -819.435-120.307 38.394 1.00853.82 C ATOM 22703 P A B1114 -825.115-118.971 35.793 1.00853.82 P ATOM 22704 O1P A B1114 -826.015-117.924 35.240 1.00853.82 O ATOM 22705 O2P A B1114 -825.704-120.150 36.465 1.00853.82 O ATOM 22706 O5* A B1114 -824.215-119.491 34.575 1.00853.82 O ATOM 22707 C5* A B1114 -823.612-118.557 33.659 1.00853.82 C ATOM 22708 C4* A B1114 -822.673-119.267 32.692 1.00853.82 C ATOM 22709 O4* A B1114 -821.693-120.002 33.460 1.00853.82 O ATOM 22710 C3* A B1114 -823.317-120.313 31.804 1.00853.82 C ATOM 22711 O3* A B1114 -823.839-119.733 30.607 1.00853.82 O ATOM 22712 C2* A B1114 -822.166-121.260 31.495 1.00853.82 C ATOM 22713 O2* A B1114 -821.367-120.831 30.407 1.00853.82 O ATOM 22714 C1* A B1114 -821.357-121.206 32.791 1.00853.82 C ATOM 22715 N9 A B1114 -821.717-122.313 33.665 1.00853.82 N ATOM 22716 C8 A B1114 -822.948-122.584 34.209 1.00853.82 C ATOM 22717 N7 A B1114 -822.987-123.685 34.911 1.00853.82 N ATOM 22718 C5 A B1114 -821.689-124.170 34.835 1.00853.82 C ATOM 22719 C6 A B1114 -821.085-125.317 35.350 1.00853.82 C ATOM 22720 N6 A B1114 -821.740-126.235 36.043 1.00853.82 N ATOM 22721 N1 A B1114 -819.769-125.502 35.112 1.00853.82 N ATOM 22722 C2 A B1114 -819.124-124.594 34.378 1.00853.82 C ATOM 22723 N3 A B1114 -819.587-123.481 33.815 1.00853.82 N ATOM 22724 C4 A B1114 -820.891-123.326 34.086 1.00853.82 C ATOM 22725 P C B1115 -824.958-120.520 29.753 1.00853.82 P ATOM 22726 O1P C B1115 -825.483-119.564 28.742 1.00853.82 O ATOM 22727 O2P C B1115 -825.892-121.169 30.706 1.00853.82 O ATOM 22728 O5* C B1115 -824.163-121.665 28.974 1.00853.82 O ATOM 22729 C5* C B1115 -823.365-121.365 27.827 1.00853.82 C ATOM 22730 C4* C B1115 -822.510-122.556 27.441 1.00853.82 C ATOM 22731 O4* C B1115 -821.733-122.957 28.598 1.00853.82 O ATOM 22732 C3* C B1115 -823.209-123.850 27.065 1.00853.82 C ATOM 22733 O3* C B1115 -823.574-123.832 25.685 1.00853.82 O ATOM 22734 C2* C B1115 -822.153-124.919 27.315 1.00853.82 C ATOM 22735 O2* C B1115 -821.281-125.085 26.216 1.00853.82 O ATOM 22736 C1* C B1115 -821.380-124.322 28.493 1.00853.82 C ATOM 22737 N1 C B1115 -821.711-124.981 29.766 1.00853.82 N ATOM 22738 C2 C B1115 -820.955-126.079 30.181 1.00853.82 C ATOM 22739 O2 C B1115 -819.993-126.445 29.494 1.00853.82 O ATOM 22740 N3 C B1115 -821.285-126.710 31.326 1.00853.82 N ATOM 22741 C4 C B1115 -822.310-126.275 32.060 1.00853.82 C ATOM 22742 N4 C B1115 -822.593-126.930 33.183 1.00853.82 N ATOM 22743 C5 C B1115 -823.086-125.149 31.669 1.00853.82 C ATOM 22744 C6 C B1115 -822.757-124.538 30.526 1.00853.82 C ATOM 22745 P U B1116 -824.694-124.854 25.131 1.00853.82 P ATOM 22746 O1P U B1116 -824.854-124.573 23.680 1.00853.82 O ATOM 22747 O2P U B1116 -825.875-124.754 26.028 1.00853.82 O ATOM 22748 O5* U B1116 -824.059-126.312 25.296 1.00853.82 O ATOM 22749 C5* U B1116 -823.173-126.856 24.297 1.00853.82 C ATOM 22750 C4* U B1116 -822.853-128.316 24.598 1.00853.82 C ATOM 22751 O4* U B1116 -822.229-128.354 25.904 1.00853.82 O ATOM 22752 C3* U B1116 -823.996-129.335 24.715 1.00853.82 C ATOM 22753 O3* U B1116 -824.317-129.941 23.432 1.00853.82 O ATOM 22754 C2* U B1116 -823.409-130.413 25.627 1.00853.82 C ATOM 22755 O2* U B1116 -822.683-131.380 24.901 1.00853.82 O ATOM 22756 C1* U B1116 -822.426-129.620 26.498 1.00853.82 C ATOM 22757 N1 U B1116 -822.846-129.424 27.895 1.00853.82 N ATOM 22758 C2 U B1116 -822.214-130.172 28.871 1.00853.82 C ATOM 22759 O2 U B1116 -821.332-130.977 28.622 1.00853.82 O ATOM 22760 N3 U B1116 -822.658-129.946 30.152 1.00853.82 N ATOM 22761 C4 U B1116 -823.641-129.063 30.546 1.00853.82 C ATOM 22762 O4 U B1116 -823.939-128.981 31.738 1.00853.82 O ATOM 22763 C5 U B1116 -824.241-128.325 29.479 1.00853.82 C ATOM 22764 C6 U B1116 -823.835-128.524 28.220 1.00853.82 C ATOM 22765 P G B1117 -825.607-130.926 23.268 1.00853.82 P ATOM 22766 O1P G B1117 -825.805-131.141 21.805 1.00853.82 O ATOM 22767 O2P G B1117 -826.725-130.386 24.075 1.00853.82 O ATOM 22768 O5* G B1117 -825.202-132.359 23.873 1.00853.82 O ATOM 22769 C5* G B1117 -824.937-133.490 23.015 1.00853.82 C ATOM 22770 C4* G B1117 -825.375-134.812 23.659 1.00853.82 C ATOM 22771 O4* G B1117 -824.628-135.024 24.888 1.00853.82 O ATOM 22772 C3* G B1117 -826.827-134.880 24.101 1.00853.82 C ATOM 22773 O3* G B1117 -827.704-135.276 23.045 1.00853.82 O ATOM 22774 C2* G B1117 -826.800-135.931 25.204 1.00853.82 C ATOM 22775 O2* G B1117 -826.831-137.255 24.701 1.00853.82 O ATOM 22776 C1* G B1117 -825.451-135.653 25.864 1.00853.82 C ATOM 22777 N9 G B1117 -825.615-134.705 26.964 1.00853.82 N ATOM 22778 C8 G B1117 -825.352-133.360 26.898 1.00853.82 C ATOM 22779 N7 G B1117 -825.612-132.730 28.004 1.00853.82 N ATOM 22780 C5 G B1117 -826.066-133.712 28.867 1.00853.82 C ATOM 22781 C6 G B1117 -826.502-133.615 30.216 1.00853.82 C ATOM 22782 O6 G B1117 -826.584-132.604 30.930 1.00853.82 O ATOM 22783 N1 G B1117 -826.861-134.850 30.728 1.00853.82 N ATOM 22784 C2 G B1117 -826.816-136.037 30.039 1.00853.82 C ATOM 22785 N2 G B1117 -827.180-137.115 30.746 1.00853.82 N ATOM 22786 N3 G B1117 -826.435-136.145 28.766 1.00853.82 N ATOM 22787 C4 G B1117 -826.068-134.949 28.249 1.00853.82 C ATOM 22788 P G B1118 -829.217-134.724 23.021 1.00853.82 P ATOM 22789 O1P G B1118 -829.876-135.252 21.797 1.00853.82 O ATOM 22790 O2P G B1118 -829.168-133.260 23.250 1.00853.82 O ATOM 22791 O5* G B1118 -829.916-135.392 24.291 1.00853.82 O ATOM 22792 C5* G B1118 -830.010-136.812 24.425 1.00853.82 C ATOM 22793 C4* G B1118 -830.251-137.195 25.866 1.00853.82 C ATOM 22794 O4* G B1118 -829.372-136.439 26.739 1.00853.82 O ATOM 22795 C3* G B1118 -831.620-136.929 26.484 1.00853.82 C ATOM 22796 O3* G B1118 -832.569-137.910 26.085 1.00853.82 O ATOM 22797 C2* G B1118 -831.332-136.962 27.983 1.00853.82 C ATOM 22798 O2* G B1118 -831.319-138.278 28.501 1.00853.82 O ATOM 22799 C1* G B1118 -829.917-136.389 28.051 1.00853.82 C ATOM 22800 N9 G B1118 -829.859-135.003 28.511 1.00853.82 N ATOM 22801 C8 G B1118 -829.655-133.898 27.725 1.00853.82 C ATOM 22802 N7 G B1118 -829.620-132.781 28.401 1.00853.82 N ATOM 22803 C5 G B1118 -829.820-133.163 29.719 1.00853.82 C ATOM 22804 C6 G B1118 -829.871-132.376 30.909 1.00853.82 C ATOM 22805 O6 G B1118 -829.741-131.146 31.036 1.00853.82 O ATOM 22806 N1 G B1118 -830.091-133.160 32.034 1.00853.82 N ATOM 22807 C2 G B1118 -830.237-134.522 32.026 1.00853.82 C ATOM 22808 N2 G B1118 -830.430-135.074 33.235 1.00853.82 N ATOM 22809 N3 G B1118 -830.195-135.276 30.926 1.00853.82 N ATOM 22810 C4 G B1118 -829.979-134.531 29.812 1.00853.82 C ATOM 22811 P U B1119 -834.139-137.609 26.256 1.00853.82 P ATOM 22812 O1P U B1119 -834.887-138.795 25.766 1.00853.82 O ATOM 22813 O2P U B1119 -834.422-136.272 25.674 1.00853.82 O ATOM 22814 O5* U B1119 -834.329-137.518 27.834 1.00853.82 O ATOM 22815 C5* U B1119 -834.298-138.688 28.642 1.00853.82 C ATOM 22816 C4* U B1119 -834.862-138.388 30.011 1.00853.82 C ATOM 22817 O4* U B1119 -833.969-137.526 30.771 1.00853.82 O ATOM 22818 C3* U B1119 -836.162-137.645 30.015 1.00853.82 C ATOM 22819 O3* U B1119 -837.207-138.558 29.693 1.00853.82 O ATOM 22820 C2* U B1119 -836.204-137.034 31.412 1.00853.82 C ATOM 22821 O2* U B1119 -836.650-137.955 32.388 1.00853.82 O ATOM 22822 C1* U B1119 -834.724-136.704 31.657 1.00853.82 C ATOM 22823 N1 U B1119 -834.365-135.302 31.362 1.00853.82 N ATOM 22824 C2 U B1119 -834.331-134.341 32.397 1.00853.82 C ATOM 22825 O2 U B1119 -834.614-134.562 33.563 1.00853.82 O ATOM 22826 N3 U B1119 -833.951-133.082 31.999 1.00853.82 N ATOM 22827 C4 U B1119 -833.620-132.682 30.721 1.00853.82 C ATOM 22828 O4 U B1119 -833.330-131.504 30.516 1.00853.82 O ATOM 22829 C5 U B1119 -833.693-133.707 29.728 1.00853.82 C ATOM 22830 C6 U B1119 -834.056-134.947 30.072 1.00853.82 C ATOM 22831 P C B1120 -838.904-137.406 29.079 1.00853.82 P ATOM 22832 O1P C B1120 -838.531-138.748 28.567 1.00853.82 O ATOM 22833 O2P C B1120 -838.442-136.193 28.352 1.00853.82 O ATOM 22834 O5* C B1120 -840.488-137.341 29.148 1.00853.82 O ATOM 22835 C5* C B1120 -841.162-136.121 29.441 1.00853.82 C ATOM 22836 C4* C B1120 -841.932-136.257 30.728 1.00853.82 C ATOM 22837 O4* C B1120 -840.999-136.356 31.833 1.00853.82 O ATOM 22838 C3* C B1120 -842.837-135.096 31.112 1.00853.82 C ATOM 22839 O3* C B1120 -844.101-135.183 30.472 1.00853.82 O ATOM 22840 C2* C B1120 -842.954-135.251 32.623 1.00853.82 C ATOM 22841 O2* C B1120 -843.929-136.203 32.997 1.00853.82 O ATOM 22842 C1* C B1120 -841.570-135.777 32.997 1.00853.82 C ATOM 22843 N1 C B1120 -840.686-134.703 33.472 1.00853.82 N ATOM 22844 C2 C B1120 -840.331-134.676 34.821 1.00853.82 C ATOM 22845 O2 C B1120 -840.727-135.591 35.562 1.00853.82 O ATOM 22846 N3 C B1120 -839.560-133.664 35.283 1.00853.82 N ATOM 22847 C4 C B1120 -839.140-132.713 34.449 1.00853.82 C ATOM 22848 N4 C B1120 -838.385-131.731 34.949 1.00853.82 N ATOM 22849 C5 C B1120 -839.474-132.727 33.064 1.00853.82 C ATOM 22850 C6 C B1120 -840.235-133.732 32.620 1.00853.82 C ATOM 22851 P G B1121 -845.084-133.910 30.479 1.00853.82 P ATOM 22852 O1P G B1121 -845.901-133.985 31.713 1.00853.82 O ATOM 22853 O2P G B1121 -845.754-133.841 29.157 1.00853.82 O ATOM 22854 O5* G B1121 -844.105-132.658 30.603 1.00853.82 O ATOM 22855 C5* G B1121 -844.159-131.777 31.726 1.00853.82 C ATOM 22856 C4* G B1121 -843.208-130.623 31.515 1.00853.82 C ATOM 22857 O4* G B1121 -841.875-131.163 31.308 1.00853.82 O ATOM 22858 C3* G B1121 -843.442-129.749 30.301 1.00853.82 C ATOM 22859 O3* G B1121 -844.416-128.746 30.588 1.00853.82 O ATOM 22860 C2* G B1121 -842.061-129.166 30.028 1.00853.82 C ATOM 22861 O2* G B1121 -841.777-128.034 30.823 1.00853.82 O ATOM 22862 C1* G B1121 -841.149-130.328 30.427 1.00853.82 C ATOM 22863 N9 G B1121 -840.737-131.148 29.290 1.00853.82 N ATOM 22864 C8 G B1121 -841.542-131.994 28.565 1.00853.82 C ATOM 22865 N7 G B1121 -840.906-132.608 27.605 1.00853.82 N ATOM 22866 C5 G B1121 -839.604-132.136 27.701 1.00853.82 C ATOM 22867 C6 G B1121 -838.459-132.441 26.918 1.00853.82 C ATOM 22868 O6 G B1121 -838.363-133.215 25.960 1.00853.82 O ATOM 22869 N1 G B1121 -837.342-131.735 27.357 1.00853.82 N ATOM 22870 C2 G B1121 -837.324-130.853 28.408 1.00853.82 C ATOM 22871 N2 G B1121 -836.151-130.273 28.675 1.00853.82 N ATOM 22872 N3 G B1121 -838.389-130.560 29.144 1.00853.82 N ATOM 22873 C4 G B1121 -839.485-131.232 28.736 1.00853.82 C ATOM 22874 P A B1122 -845.448-128.296 29.438 1.00853.82 P ATOM 22875 O1P A B1122 -846.390-129.425 29.239 1.00853.82 O ATOM 22876 O2P A B1122 -844.660-127.786 28.287 1.00853.82 O ATOM 22877 O5* A B1122 -846.260-127.075 30.072 1.00853.82 O ATOM 22878 C5* A B1122 -846.135-125.741 29.558 1.00853.82 C ATOM 22879 C4* A B1122 -847.332-125.401 28.694 1.00853.82 C ATOM 22880 O4* A B1122 -847.310-126.238 27.528 1.00853.82 O ATOM 22881 C3* A B1122 -848.719-125.617 29.337 1.00853.82 C ATOM 22882 O3* A B1122 -849.171-124.429 30.002 1.00853.82 O ATOM 22883 C2* A B1122 -849.616-125.939 28.133 1.00853.82 C ATOM 22884 O2* A B1122 -850.166-124.768 27.564 1.00853.82 O ATOM 22885 C1* A B1122 -848.623-126.545 27.126 1.00853.82 C ATOM 22886 N9 A B1122 -848.602-127.953 26.729 1.00853.82 N ATOM 22887 C8 A B1122 -847.560-128.535 26.050 1.00853.82 C ATOM 22888 N7 A B1122 -847.846-129.705 25.531 1.00853.82 N ATOM 22889 C5 A B1122 -849.131-129.949 25.982 1.00853.82 C ATOM 22890 C6 A B1122 -850.000-131.002 25.733 1.00853.82 C ATOM 22891 N6 A B1122 -849.698-131.991 24.878 1.00853.82 N ATOM 22892 N1 A B1122 -851.208-130.980 26.340 1.00853.82 N ATOM 22893 C2 A B1122 -851.525-129.910 27.087 1.00853.82 C ATOM 22894 N3 A B1122 -850.802-128.821 27.349 1.00853.82 N ATOM 22895 C4 A B1122 -849.594-128.904 26.765 1.00853.82 C ATOM 22896 P G B1123 -848.557-123.994 31.424 1.00853.82 P ATOM 22897 O1P G B1123 -848.080-125.218 32.117 1.00853.82 O ATOM 22898 O2P G B1123 -849.548-123.114 32.086 1.00853.82 O ATOM 22899 O5* G B1123 -847.285-123.115 31.039 1.00853.82 O ATOM 22900 C5* G B1123 -847.211-121.714 31.348 1.00853.82 C ATOM 22901 C4* G B1123 -845.926-121.134 30.797 1.00853.82 C ATOM 22902 O4* G B1123 -845.978-121.173 29.346 1.00853.82 O ATOM 22903 C3* G B1123 -845.699-119.652 30.993 1.00853.82 C ATOM 22904 O3* G B1123 -845.132-119.439 32.284 1.00853.82 O ATOM 22905 C2* G B1123 -844.745-119.223 29.887 1.00853.82 C ATOM 22906 O2* G B1123 -843.388-119.349 30.263 1.00853.82 O ATOM 22907 C1* G B1123 -845.051-120.249 28.801 1.00853.82 C ATOM 22908 N9 G B1123 -845.660-119.599 27.648 1.00853.82 N ATOM 22909 C8 G B1123 -846.875-119.889 27.076 1.00853.82 C ATOM 22910 N7 G B1123 -847.175-119.103 26.079 1.00853.82 N ATOM 22911 C5 G B1123 -846.083-118.245 25.977 1.00853.82 C ATOM 22912 C6 G B1123 -845.838-117.174 25.077 1.00853.82 C ATOM 22913 O6 G B1123 -846.553-116.748 24.165 1.00853.82 O ATOM 22914 N1 G B1123 -844.605-116.575 25.324 1.00853.82 N ATOM 22915 C2 G B1123 -843.727-116.955 26.309 1.00853.82 C ATOM 22916 N2 G B1123 -842.586-116.254 26.377 1.00853.82 N ATOM 22917 N3 G B1123 -843.945-117.950 27.155 1.00853.82 N ATOM 22918 C4 G B1123 -845.139-118.546 26.932 1.00853.82 C ATOM 22919 P U B1124 -845.870-118.458 33.322 1.00853.82 P ATOM 22920 O1P U B1124 -846.719-119.298 34.208 1.00853.82 O ATOM 22921 O2P U B1124 -846.490-117.352 32.551 1.00853.82 O ATOM 22922 O5* U B1124 -844.682-117.843 34.193 1.00853.82 O ATOM 22923 C5* U B1124 -843.882-118.684 35.020 1.00853.82 C ATOM 22924 C4* U B1124 -842.406-118.378 34.842 1.00853.82 C ATOM 22925 O4* U B1124 -841.955-118.676 33.490 1.00853.82 O ATOM 22926 C3* U B1124 -842.036-116.929 35.104 1.00853.82 C ATOM 22927 O3* U B1124 -841.761-116.730 36.485 1.00853.82 O ATOM 22928 C2* U B1124 -840.791-116.731 34.238 1.00853.82 C ATOM 22929 O2* U B1124 -839.618-117.173 34.895 1.00853.82 O ATOM 22930 C1* U B1124 -841.070-117.648 33.045 1.00853.82 C ATOM 22931 N1 U B1124 -841.677-116.969 31.885 1.00853.82 N ATOM 22932 C2 U B1124 -840.865-116.619 30.776 1.00853.82 C ATOM 22933 O2 U B1124 -839.661-116.841 30.698 1.00853.82 O ATOM 22934 N3 U B1124 -841.528-115.990 29.752 1.00853.82 N ATOM 22935 C4 U B1124 -842.876-115.676 29.709 1.00853.82 C ATOM 22936 O4 U B1124 -843.330-115.110 28.714 1.00853.82 O ATOM 22937 C5 U B1124 -843.628-116.063 30.870 1.00853.82 C ATOM 22938 C6 U B1124 -843.019-116.675 31.885 1.00853.82 C ATOM 22939 P G B1125 -842.219-115.362 37.192 1.00853.82 P ATOM 22940 O1P G B1125 -842.105-115.556 38.660 1.00853.82 O ATOM 22941 O2P G B1125 -843.518-114.937 36.607 1.00853.82 O ATOM 22942 O5* G B1125 -841.101-114.323 36.743 1.00853.82 O ATOM 22943 C5* G B1125 -839.791-114.390 37.291 1.00853.82 C ATOM 22944 C4* G B1125 -838.840-113.551 36.472 1.00853.82 C ATOM 22945 O4* G B1125 -838.795-114.031 35.103 1.00853.82 O ATOM 22946 C3* G B1125 -839.226-112.083 36.370 1.00853.82 C ATOM 22947 O3* G B1125 -838.772-111.337 37.489 1.00853.82 O ATOM 22948 C2* G B1125 -838.574-111.658 35.063 1.00853.82 C ATOM 22949 O2* G B1125 -837.203-111.341 35.211 1.00853.82 O ATOM 22950 C1* G B1125 -838.718-112.927 34.218 1.00853.82 C ATOM 22951 N9 G B1125 -839.924-112.905 33.402 1.00853.82 N ATOM 22952 C8 G B1125 -841.218-113.036 33.834 1.00853.82 C ATOM 22953 N7 G B1125 -842.091-112.961 32.866 1.00853.82 N ATOM 22954 C5 G B1125 -841.326-112.773 31.726 1.00853.82 C ATOM 22955 C6 G B1125 -841.713-112.615 30.372 1.00853.82 C ATOM 22956 O6 G B1125 -842.853-112.620 29.889 1.00853.82 O ATOM 22957 N1 G B1125 -840.611-112.441 29.541 1.00853.82 N ATOM 22958 C2 G B1125 -839.304-112.422 29.959 1.00853.82 C ATOM 22959 N2 G B1125 -838.377-112.240 29.003 1.00853.82 N ATOM 22960 N3 G B1125 -838.928-112.564 31.217 1.00853.82 N ATOM 22961 C4 G B1125 -839.983-112.734 32.041 1.00853.82 C ATOM 22962 P A B1126 -839.639-110.089 38.008 1.00853.82 P ATOM 22963 O1P A B1126 -839.296-109.846 39.431 1.00853.82 O ATOM 22964 O2P A B1126 -841.054-110.317 37.623 1.00853.82 O ATOM 22965 O5* A B1126 -839.086-108.869 37.149 1.00853.82 O ATOM 22966 C5* A B1126 -837.848-108.244 37.477 1.00853.82 C ATOM 22967 C4* A B1126 -837.444-107.304 36.371 1.00853.82 C ATOM 22968 O4* A B1126 -837.362-108.035 35.122 1.00853.82 O ATOM 22969 C3* A B1126 -838.397-106.155 36.085 1.00853.82 C ATOM 22970 O3* A B1126 -838.186-105.073 36.982 1.00853.82 O ATOM 22971 C2* A B1126 -838.096-105.822 34.630 1.00853.82 C ATOM 22972 O2* A B1126 -836.969-104.984 34.482 1.00853.82 O ATOM 22973 C1* A B1126 -837.785-107.210 34.054 1.00853.82 C ATOM 22974 N9 A B1126 -838.941-107.862 33.443 1.00853.82 N ATOM 22975 C8 A B1126 -839.988-108.456 34.104 1.00853.82 C ATOM 22976 N7 A B1126 -840.892-108.971 33.312 1.00853.82 N ATOM 22977 C5 A B1126 -840.414-108.695 32.038 1.00853.82 C ATOM 22978 C6 A B1126 -840.917-108.980 30.762 1.00853.82 C ATOM 22979 N6 A B1126 -842.066-109.636 30.546 1.00853.82 N ATOM 22980 N1 A B1126 -840.199-108.567 29.696 1.00853.82 N ATOM 22981 C2 A B1126 -839.053-107.913 29.915 1.00853.82 C ATOM 22982 N3 A B1126 -838.471-107.588 31.065 1.00853.82 N ATOM 22983 C4 A B1126 -839.213-108.009 32.100 1.00853.82 C ATOM 22984 P C B1127 -839.445-104.275 37.572 1.00853.82 P ATOM 22985 O1P C B1127 -839.195-104.047 39.019 1.00853.82 O ATOM 22986 O2P C B1127 -840.684-104.969 37.142 1.00853.82 O ATOM 22987 O5* C B1127 -839.373-102.871 36.825 1.00853.82 O ATOM 22988 C5* C B1127 -840.460-101.963 36.885 1.00853.82 C ATOM 22989 C4* C B1127 -840.561-101.192 35.594 1.00853.82 C ATOM 22990 O4* C B1127 -840.529-102.115 34.476 1.00853.82 O ATOM 22991 C3* C B1127 -841.840-100.412 35.398 1.00853.82 C ATOM 22992 O3* C B1127 -841.795 -99.162 36.068 1.00853.82 O ATOM 22993 C2* C B1127 -841.933-100.290 33.882 1.00853.82 C ATOM 22994 O2* C B1127 -841.144 -99.234 33.371 1.00853.82 O ATOM 22995 C1* C B1127 -841.358-101.631 33.432 1.00853.82 C ATOM 22996 N1 C B1127 -842.408-102.635 33.201 1.00853.82 N ATOM 22997 C2 C B1127 -842.932-102.788 31.913 1.00853.82 C ATOM 22998 O2 C B1127 -842.490-102.081 30.996 1.00853.82 O ATOM 22999 N3 C B1127 -843.906-103.702 31.706 1.00853.82 N ATOM 23000 C4 C B1127 -844.354-104.447 32.720 1.00853.82 C ATOM 23001 N4 C B1127 -845.316-105.337 32.471 1.00853.82 N ATOM 23002 C5 C B1127 -843.831-104.314 34.039 1.00853.82 C ATOM 23003 C6 C B1127 -842.867-103.407 34.230 1.00853.82 C ATOM 23004 P G B1128 -843.044 -97.800 36.907 1.00855.43 P ATOM 23005 O1P G B1128 -842.697 -96.502 37.544 1.00855.43 O ATOM 23006 O2P G B1128 -843.893 -98.776 37.639 1.00855.43 O ATOM 23007 O5* G B1128 -843.726 -97.504 35.501 1.00855.43 O ATOM 23008 C5* G B1128 -843.290 -96.408 34.705 1.00855.43 C ATOM 23009 C4* G B1128 -844.359 -96.027 33.711 1.00855.43 C ATOM 23010 O4* G B1128 -844.276 -96.872 32.535 1.00855.43 O ATOM 23011 C3* G B1128 -845.806 -96.155 34.128 1.00855.43 C ATOM 23012 O3* G B1128 -846.197 -95.060 34.941 1.00855.43 O ATOM 23013 C2* G B1128 -846.549 -96.202 32.799 1.00855.43 C ATOM 23014 O2* G B1128 -846.807 -94.915 32.273 1.00855.43 O ATOM 23015 C1* G B1128 -845.542 -96.927 31.900 1.00855.43 C ATOM 23016 N9 G B1128 -845.896 -98.326 31.689 1.00855.43 N ATOM 23017 C8 G B1128 -845.154 -99.436 32.019 1.00855.43 C ATOM 23018 N7 G B1128 -845.747-100.558 31.714 1.00855.43 N ATOM 23019 C5 G B1128 -846.951-100.167 31.145 1.00855.43 C ATOM 23020 C6 G B1128 -848.019-100.943 30.621 1.00855.43 C ATOM 23021 O6 G B1128 -848.117-102.174 30.554 1.00855.43 O ATOM 23022 N1 G B1128 -849.051-100.139 30.141 1.00855.43 N ATOM 23023 C2 G B1128 -849.052 -98.767 30.161 1.00855.43 C ATOM 23024 N2 G B1128 -850.140 -98.169 29.652 1.00855.43 N ATOM 23025 N3 G B1128 -848.068 -98.031 30.649 1.00855.43 N ATOM 23026 C4 G B1128 -847.056 -98.792 31.119 1.00855.43 C ATOM 23027 P A B1129 -847.297 -95.285 36.091 1.00855.43 P ATOM 23028 O1P A B1129 -847.277 -94.087 36.968 1.00855.43 O ATOM 23029 O2P A B1129 -847.090 -96.632 36.684 1.00855.43 O ATOM 23030 O5* A B1129 -848.671 -95.297 35.291 1.00855.43 O ATOM 23031 C5* A B1129 -848.917 -94.339 34.267 1.00855.43 C ATOM 23032 C4* A B1129 -849.975 -94.843 33.317 1.00855.43 C ATOM 23033 O4* A B1129 -849.531 -96.061 32.667 1.00855.43 O ATOM 23034 C3* A B1129 -851.268 -95.214 34.014 1.00855.43 C ATOM 23035 O3* A B1129 -852.091 -94.068 34.187 1.00855.43 O ATOM 23036 C2* A B1129 -851.873 -96.247 33.070 1.00855.43 C ATOM 23037 O2* A B1129 -852.573 -95.661 31.993 1.00855.43 O ATOM 23038 C1* A B1129 -850.621 -96.958 32.546 1.00855.43 C ATOM 23039 N9 A B1129 -850.320 -98.166 33.310 1.00855.43 N ATOM 23040 C8 A B1129 -849.138 -98.534 33.905 1.00855.43 C ATOM 23041 N7 A B1129 -849.197 -99.679 34.538 1.00855.43 N ATOM 23042 C5 A B1129 -850.507-100.100 34.339 1.00855.43 C ATOM 23043 C6 A B1129 -851.210-101.246 34.759 1.00855.43 C ATOM 23044 N6 A B1129 -850.672-102.216 35.498 1.00855.43 N ATOM 23045 N1 A B1129 -852.504-101.358 34.388 1.00855.43 N ATOM 23046 C2 A B1129 -853.046-100.383 33.648 1.00855.43 C ATOM 23047 N3 A B1129 -852.491 -99.264 33.197 1.00855.43 N ATOM 23048 C4 A B1129 -851.206 -99.182 33.581 1.00855.43 C ATOM 23049 P U B1130 -852.033 -93.267 35.580 1.00855.43 P ATOM 23050 O1P U B1130 -851.275 -92.010 35.355 1.00855.43 O ATOM 23051 O2P U B1130 -851.587 -94.215 36.631 1.00855.43 O ATOM 23052 O5* U B1130 -853.554 -92.900 35.858 1.00855.43 O ATOM 23053 C5* U B1130 -854.137 -93.083 37.145 1.00855.43 C ATOM 23054 C4* U B1130 -855.483 -93.752 37.006 1.00855.43 C ATOM 23055 O4* U B1130 -855.363 -94.887 36.117 1.00855.43 O ATOM 23056 C3* U B1130 -856.017 -94.318 38.301 1.00855.43 C ATOM 23057 O3* U B1130 -856.749 -93.302 38.979 1.00855.43 O ATOM 23058 C2* U B1130 -856.906 -95.467 37.840 1.00855.43 C ATOM 23059 O2* U B1130 -858.207 -95.038 37.494 1.00855.43 O ATOM 23060 C1* U B1130 -856.182 -95.947 36.576 1.00855.43 C ATOM 23061 N1 U B1130 -855.316 -97.125 36.744 1.00855.43 N ATOM 23062 C2 U B1130 -855.864 -98.392 36.589 1.00855.43 C ATOM 23063 O2 U B1130 -857.039 -98.582 36.325 1.00855.43 O ATOM 23064 N3 U B1130 -854.980 -99.429 36.753 1.00855.43 N ATOM 23065 C4 U B1130 -853.633 -99.333 37.047 1.00855.43 C ATOM 23066 O4 U B1130 -852.963-100.361 37.152 1.00855.43 O ATOM 23067 C5 U B1130 -853.146 -97.997 37.196 1.00855.43 C ATOM 23068 C6 U B1130 -853.982 -96.967 37.045 1.00855.43 C ATOM 23069 P G B1131 -856.457 -93.007 40.530 1.00855.43 P ATOM 23070 O1P G B1131 -857.239 -91.802 40.908 1.00855.43 O ATOM 23071 O2P G B1131 -854.986 -93.024 40.743 1.00855.43 O ATOM 23072 O5* G B1131 -857.085 -94.260 41.285 1.00855.43 O ATOM 23073 C5* G B1131 -858.483 -94.519 41.227 1.00855.43 C ATOM 23074 C4* G B1131 -858.778 -95.892 41.780 1.00855.43 C ATOM 23075 O4* G B1131 -858.411 -96.897 40.804 1.00855.43 O ATOM 23076 C3* G B1131 -858.001 -96.296 43.020 1.00855.43 C ATOM 23077 O3* G B1131 -858.576 -95.762 44.206 1.00855.43 O ATOM 23078 C2* G B1131 -858.055 -97.818 42.977 1.00855.43 C ATOM 23079 O2* G B1131 -859.244 -98.339 43.534 1.00855.43 O ATOM 23080 C1* G B1131 -858.029 -98.090 41.468 1.00855.43 C ATOM 23081 N9 G B1131 -856.714 -98.490 40.981 1.00855.43 N ATOM 23082 C8 G B1131 -855.932 -97.844 40.053 1.00855.43 C ATOM 23083 N7 G B1131 -854.798 -98.449 39.827 1.00855.43 N ATOM 23084 C5 G B1131 -854.828 -99.563 40.657 1.00855.43 C ATOM 23085 C6 G B1131 -853.871-100.605 40.858 1.00855.43 C ATOM 23086 O6 G B1131 -852.766-100.764 40.325 1.00855.43 O ATOM 23087 N1 G B1131 -854.320-101.531 41.792 1.00855.43 N ATOM 23088 C2 G B1131 -855.515-101.475 42.450 1.00855.43 C ATOM 23089 N2 G B1131 -855.761-102.471 43.313 1.00855.43 N ATOM 23090 N3 G B1131 -856.414-100.518 42.278 1.00855.43 N ATOM 23091 C4 G B1131 -856.006 -99.603 41.372 1.00855.43 C ATOM 23092 P C B1132 -857.635 -95.436 45.468 1.00855.43 P ATOM 23093 O1P C B1132 -858.446 -94.644 46.426 1.00855.43 O ATOM 23094 O2P C B1132 -856.348 -94.893 44.969 1.00855.43 O ATOM 23095 O5* C B1132 -857.361 -96.863 46.119 1.00855.43 O ATOM 23096 C5* C B1132 -858.446 -97.678 46.543 1.00855.43 C ATOM 23097 C4* C B1132 -857.954 -98.830 47.388 1.00855.43 C ATOM 23098 O4* C B1132 -857.237 -99.791 46.568 1.00855.43 O ATOM 23099 C3* C B1132 -856.985 -98.491 48.502 1.00855.43 C ATOM 23100 O3* C B1132 -857.644 -98.023 49.668 1.00855.43 O ATOM 23101 C2* C B1132 -856.298 -99.828 48.758 1.00855.43 C ATOM 23102 O2* C B1132 -857.047-100.667 49.614 1.00855.43 O ATOM 23103 C1* C B1132 -856.256-100.442 47.360 1.00855.43 C ATOM 23104 N1 C B1132 -854.936-100.296 46.732 1.00855.43 N ATOM 23105 C2 C B1132 -854.160-101.448 46.560 1.00855.43 C ATOM 23106 O2 C B1132 -854.620-102.536 46.932 1.00855.43 O ATOM 23107 N3 C B1132 -852.933-101.347 46.002 1.00855.43 N ATOM 23108 C4 C B1132 -852.473-100.154 45.621 1.00855.43 C ATOM 23109 N4 C B1132 -851.253-100.103 45.076 1.00855.43 N ATOM 23110 C5 C B1132 -853.243 -98.962 45.777 1.00855.43 C ATOM 23111 C6 C B1132 -854.460 -99.079 46.330 1.00855.43 C ATOM 23112 P G B1133 -856.793 -97.299 50.827 1.00855.43 P ATOM 23113 O1P G B1133 -857.764 -96.742 51.803 1.00855.43 O ATOM 23114 O2P G B1133 -855.799 -96.404 50.188 1.00855.43 O ATOM 23115 O5* G B1133 -856.015 -98.498 51.535 1.00855.43 O ATOM 23116 C5* G B1133 -856.713 -99.399 52.387 1.00855.43 C ATOM 23117 C4* G B1133 -855.813-100.528 52.844 1.00855.43 C ATOM 23118 O4* G B1133 -855.527-101.439 51.748 1.00855.43 O ATOM 23119 C3* G B1133 -854.446-100.164 53.363 1.00855.43 C ATOM 23120 O3* G B1133 -854.504 -99.716 54.708 1.00855.43 O ATOM 23121 C2* G B1133 -853.689-101.481 53.254 1.00855.43 C ATOM 23122 O2* G B1133 -853.944-102.347 54.341 1.00855.43 O ATOM 23123 C1* G B1133 -854.279-102.075 51.979 1.00855.43 C ATOM 23124 N9 G B1133 -853.380-101.811 50.861 1.00855.43 N ATOM 23125 C8 G B1133 -852.911-100.600 50.414 1.00855.43 C ATOM 23126 N7 G B1133 -852.064-100.710 49.423 1.00855.43 N ATOM 23127 C5 G B1133 -851.984-102.079 49.195 1.00855.43 C ATOM 23128 C6 G B1133 -851.216-102.814 48.248 1.00855.43 C ATOM 23129 O6 G B1133 -850.425-102.388 47.398 1.00855.43 O ATOM 23130 N1 G B1133 -851.440-104.183 48.361 1.00855.43 N ATOM 23131 C2 G B1133 -852.287-104.774 49.269 1.00855.43 C ATOM 23132 N2 G B1133 -852.371-106.110 49.218 1.00855.43 N ATOM 23133 N3 G B1133 -852.998-104.102 50.157 1.00855.43 N ATOM 23134 C4 G B1133 -852.800-102.770 50.065 1.00855.43 C ATOM 23135 P C B1134 -853.570 -98.491 55.166 1.00855.43 P ATOM 23136 O1P C B1134 -854.193 -97.867 56.360 1.00855.43 O ATOM 23137 O2P C B1134 -853.280 -97.662 53.967 1.00855.43 O ATOM 23138 O5* C B1134 -852.215 -99.196 55.616 1.00855.43 O ATOM 23139 C5* C B1134 -852.241-100.453 56.292 1.00855.43 C ATOM 23140 C4* C B1134 -850.949-101.199 56.071 1.00855.43 C ATOM 23141 O4* C B1134 -850.743-101.444 54.654 1.00855.43 O ATOM 23142 C3* C B1134 -849.716-100.454 56.513 1.00855.43 C ATOM 23143 O3* C B1134 -849.498-100.667 57.900 1.00855.43 O ATOM 23144 C2* C B1134 -848.614-101.065 55.660 1.00855.43 C ATOM 23145 O2* C B1134 -848.104-102.265 56.205 1.00855.43 O ATOM 23146 C1* C B1134 -849.358-101.374 54.357 1.00855.43 C ATOM 23147 N1 C B1134 -849.148-100.330 53.345 1.00855.43 N ATOM 23148 C2 C B1134 -848.384-100.636 52.218 1.00855.43 C ATOM 23149 O2 C B1134 -847.921-101.782 52.101 1.00855.43 O ATOM 23150 N3 C B1134 -848.167 -99.676 51.286 1.00855.43 N ATOM 23151 C4 C B1134 -848.682 -98.457 51.453 1.00855.43 C ATOM 23152 N4 C B1134 -848.435 -97.537 50.517 1.00855.43 N ATOM 23153 C5 C B1134 -849.473 -98.121 52.590 1.00855.43 C ATOM 23154 C6 C B1134 -849.680 -99.080 53.502 1.00855.43 C ATOM 23155 P C B1135 -848.485 -99.706 58.698 1.00855.43 P ATOM 23156 O1P C B1135 -848.652 -99.979 60.146 1.00855.43 O ATOM 23157 O2P C B1135 -848.658 -98.326 58.183 1.00855.43 O ATOM 23158 O5* C B1135 -847.046-100.224 58.256 1.00855.43 O ATOM 23159 C5* C B1135 -846.363-101.220 59.011 1.00855.43 C ATOM 23160 C4* C B1135 -844.887-101.187 58.706 1.00855.43 C ATOM 23161 O4* C B1135 -844.655-101.610 57.339 1.00855.43 O ATOM 23162 C3* C B1135 -844.304 -99.789 58.807 1.00855.43 C ATOM 23163 O3* C B1135 -843.867 -99.529 60.134 1.00855.43 O ATOM 23164 C2* C B1135 -843.141 -99.829 57.820 1.00855.43 C ATOM 23165 O2* C B1135 -841.961-100.357 58.391 1.00855.43 O ATOM 23166 C1* C B1135 -843.664-100.788 56.747 1.00855.43 C ATOM 23167 N1 C B1135 -844.262-100.108 55.586 1.00855.43 N ATOM 23168 C2 C B1135 -843.537-100.050 54.391 1.00855.43 C ATOM 23169 O2 C B1135 -842.411-100.565 54.346 1.00855.43 O ATOM 23170 N3 C B1135 -844.083 -99.431 53.317 1.00855.43 N ATOM 23171 C4 C B1135 -845.296 -98.886 53.407 1.00855.43 C ATOM 23172 N4 C B1135 -845.793 -98.288 52.321 1.00855.43 N ATOM 23173 C5 C B1135 -846.055 -98.928 54.612 1.00855.43 C ATOM 23174 C6 C B1135 -845.505 -99.541 55.666 1.00855.43 C ATOM 23175 P G B1136 -844.784 -98.641 61.112 1.00855.43 P ATOM 23176 O1P G B1136 -844.363 -98.927 62.507 1.00855.43 O ATOM 23177 O2P G B1136 -846.205 -98.832 60.720 1.00855.43 O ATOM 23178 O5* G B1136 -844.372 -97.142 60.766 1.00855.43 O ATOM 23179 C5* G B1136 -843.269 -96.512 61.412 1.00855.43 C ATOM 23180 C4* G B1136 -842.979 -95.184 60.755 1.00855.43 C ATOM 23181 O4* G B1136 -842.712 -95.384 59.348 1.00855.43 O ATOM 23182 C3* G B1136 -844.109 -94.157 60.816 1.00855.43 C ATOM 23183 O3* G B1136 -844.055 -93.422 62.040 1.00855.43 O ATOM 23184 C2* G B1136 -843.847 -93.290 59.585 1.00855.43 C ATOM 23185 O2* G B1136 -842.898 -92.272 59.833 1.00855.43 O ATOM 23186 C1* G B1136 -843.240 -94.303 58.603 1.00855.43 C ATOM 23187 N9 G B1136 -844.145 -94.866 57.604 1.00855.43 N ATOM 23188 C8 G B1136 -845.010 -95.916 57.797 1.00855.43 C ATOM 23189 N7 G B1136 -845.654 -96.259 56.717 1.00855.43 N ATOM 23190 C5 G B1136 -845.199 -95.374 55.752 1.00855.43 C ATOM 23191 C6 G B1136 -845.536 -95.269 54.379 1.00855.43 C ATOM 23192 O6 G B1136 -846.314 -95.966 53.717 1.00855.43 O ATOM 23193 N1 G B1136 -844.858 -94.223 53.767 1.00855.43 N ATOM 23194 C2 G B1136 -843.968 -93.387 54.389 1.00855.43 C ATOM 23195 N2 G B1136 -843.440 -92.428 53.621 1.00855.43 N ATOM 23196 N3 G B1136 -843.627 -93.485 55.666 1.00855.43 N ATOM 23197 C4 G B1136 -844.280 -94.492 56.282 1.00855.43 C ATOM 23198 P A B1137 -845.131 -92.264 62.341 1.00855.43 P ATOM 23199 O1P A B1137 -844.534 -90.975 61.917 1.00855.43 O ATOM 23200 O2P A B1137 -845.586 -92.435 63.747 1.00855.43 O ATOM 23201 O5* A B1137 -846.363 -92.590 61.384 1.00855.43 O ATOM 23202 C5* A B1137 -847.698 -92.288 61.792 1.00855.43 C ATOM 23203 C4* A B1137 -848.663 -93.280 61.188 1.00855.43 C ATOM 23204 O4* A B1137 -848.993 -92.871 59.845 1.00855.43 O ATOM 23205 C3* A B1137 -848.165 -94.723 61.045 1.00855.43 C ATOM 23206 O3* A B1137 -848.424 -95.465 62.239 1.00855.43 O ATOM 23207 C2* A B1137 -849.013 -95.269 59.894 1.00855.43 C ATOM 23208 O2* A B1137 -850.223 -95.850 60.336 1.00855.43 O ATOM 23209 C1* A B1137 -849.338 -94.006 59.086 1.00855.43 C ATOM 23210 N9 A B1137 -848.761 -93.868 57.752 1.00855.43 N ATOM 23211 C8 A B1137 -847.609 -93.240 57.351 1.00855.43 C ATOM 23212 N7 A B1137 -847.416 -93.264 56.052 1.00855.43 N ATOM 23213 C5 A B1137 -848.512 -93.966 55.569 1.00855.43 C ATOM 23214 C6 A B1137 -848.909 -94.329 54.266 1.00855.43 C ATOM 23215 N6 A B1137 -848.228 -94.014 53.165 1.00855.43 N ATOM 23216 N1 A B1137 -850.053 -95.035 54.133 1.00855.43 N ATOM 23217 C2 A B1137 -850.748 -95.341 55.233 1.00855.43 C ATOM 23218 N3 A B1137 -850.484 -95.054 56.503 1.00855.43 N ATOM 23219 C4 A B1137 -849.338 -94.355 56.602 1.00855.43 C ATOM 23220 P A B1138 -847.206 -96.010 63.137 1.00855.43 P ATOM 23221 O1P A B1138 -846.050 -95.092 62.985 1.00855.43 O ATOM 23222 O2P A B1138 -847.032 -97.457 62.854 1.00855.43 O ATOM 23223 O5* A B1138 -847.742 -95.866 64.631 1.00855.43 O ATOM 23224 C5* A B1138 -847.744 -94.605 65.299 1.00855.43 C ATOM 23225 C4* A B1138 -848.095 -94.789 66.757 1.00855.43 C ATOM 23226 O4* A B1138 -847.292 -95.853 67.324 1.00855.43 O ATOM 23227 C3* A B1138 -847.890 -93.611 67.687 1.00855.43 C ATOM 23228 O3* A B1138 -849.039 -92.776 67.642 1.00855.43 O ATOM 23229 C2* A B1138 -847.734 -94.268 69.056 1.00855.43 C ATOM 23230 O2* A B1138 -848.978 -94.521 69.682 1.00855.43 O ATOM 23231 C1* A B1138 -847.072 -95.602 68.700 1.00855.43 C ATOM 23232 N9 A B1138 -845.632 -95.632 68.957 1.00855.43 N ATOM 23233 C8 A B1138 -844.905 -94.881 69.848 1.00855.43 C ATOM 23234 N7 A B1138 -843.622 -95.155 69.846 1.00855.43 N ATOM 23235 C5 A B1138 -843.496 -96.151 68.890 1.00855.43 C ATOM 23236 C6 A B1138 -842.385 -96.869 68.415 1.00855.43 C ATOM 23237 N6 A B1138 -841.142 -96.693 68.858 1.00855.43 N ATOM 23238 N1 A B1138 -842.604 -97.798 67.452 1.00855.43 N ATOM 23239 C2 A B1138 -843.852 -97.978 67.008 1.00855.43 C ATOM 23240 N3 A B1138 -844.975 -97.364 67.377 1.00855.43 N ATOM 23241 C4 A B1138 -844.724 -96.452 68.332 1.00855.43 C ATOM 23242 P A B1139 -848.990 -91.307 68.292 1.00855.43 P ATOM 23243 O1P A B1139 -850.233 -90.601 67.892 1.00855.43 O ATOM 23244 O2P A B1139 -847.671 -90.692 67.995 1.00855.43 O ATOM 23245 O5* A B1139 -849.064 -91.597 69.856 1.00855.43 O ATOM 23246 C5* A B1139 -850.027 -90.934 70.671 1.00855.43 C ATOM 23247 C4* A B1139 -849.583 -90.949 72.115 1.00855.43 C ATOM 23248 O4* A B1139 -848.343 -90.210 72.254 1.00855.43 O ATOM 23249 C3* A B1139 -850.533 -90.345 73.158 1.00855.43 C ATOM 23250 O3* A B1139 -851.550 -91.250 73.592 1.00855.43 O ATOM 23251 C2* A B1139 -849.581 -89.961 74.286 1.00855.43 C ATOM 23252 O2* A B1139 -849.315 -91.045 75.148 1.00855.43 O ATOM 23253 C1* A B1139 -848.301 -89.597 73.525 1.00855.43 C ATOM 23254 N9 A B1139 -848.047 -88.165 73.346 1.00855.43 N ATOM 23255 C8 A B1139 -848.477 -87.350 72.329 1.00855.43 C ATOM 23256 N7 A B1139 -848.053 -86.114 72.428 1.00855.43 N ATOM 23257 C5 A B1139 -847.298 -86.110 73.589 1.00855.43 C ATOM 23258 C6 A B1139 -846.570 -85.099 74.244 1.00855.43 C ATOM 23259 N6 A B1139 -846.476 -83.845 73.801 1.00855.43 N ATOM 23260 N1 A B1139 -845.931 -85.426 75.390 1.00855.43 N ATOM 23261 C2 A B1139 -846.018 -86.687 75.832 1.00855.43 C ATOM 23262 N3 A B1139 -846.668 -87.724 75.307 1.00855.43 N ATOM 23263 C4 A B1139 -847.293 -87.367 74.171 1.00855.43 C ATOM 23264 P A B1140 -852.684 -90.754 74.615 1.00855.43 P ATOM 23265 O1P A B1140 -853.593 -91.906 74.845 1.00855.43 O ATOM 23266 O2P A B1140 -853.240 -89.468 74.121 1.00855.43 O ATOM 23267 O5* A B1140 -851.895 -90.476 75.969 1.00855.43 O ATOM 23268 C5* A B1140 -852.283 -89.414 76.838 1.00855.43 C ATOM 23269 C4* A B1140 -851.175 -89.105 77.816 1.00855.43 C ATOM 23270 O4* A B1140 -850.038 -88.554 77.102 1.00855.43 O ATOM 23271 C3* A B1140 -851.479 -88.079 78.899 1.00855.43 C ATOM 23272 O3* A B1140 -852.177 -88.635 80.003 1.00855.43 O ATOM 23273 C2* A B1140 -850.092 -87.572 79.275 1.00855.43 C ATOM 23274 O2* A B1140 -849.434 -88.414 80.198 1.00855.43 O ATOM 23275 C1* A B1140 -849.371 -87.613 77.924 1.00855.43 C ATOM 23276 N9 A B1140 -849.392 -86.324 77.235 1.00855.43 N ATOM 23277 C8 A B1140 -850.240 -85.934 76.227 1.00855.43 C ATOM 23278 N7 A B1140 -850.023 -84.712 75.800 1.00855.43 N ATOM 23279 C5 A B1140 -848.962 -84.272 76.580 1.00855.43 C ATOM 23280 C6 A B1140 -848.260 -83.054 76.615 1.00855.43 C ATOM 23281 N6 A B1140 -848.531 -82.019 75.819 1.00855.43 N ATOM 23282 N1 A B1140 -847.255 -82.939 77.510 1.00855.43 N ATOM 23283 C2 A B1140 -846.982 -83.980 78.303 1.00855.43 C ATOM 23284 N3 A B1140 -847.570 -85.171 78.367 1.00855.43 N ATOM 23285 C4 A B1140 -848.564 -85.254 77.466 1.00855.43 C ATOM 23286 P U B1141 -852.502 -87.714 81.277 1.00855.43 P ATOM 23287 O1P U B1141 -852.710 -86.332 80.774 1.00855.43 O ATOM 23288 O2P U B1141 -851.469 -87.965 82.314 1.00855.43 O ATOM 23289 O5* U B1141 -853.902 -88.250 81.812 1.00855.43 O ATOM 23290 C5* U B1141 -854.213 -89.642 81.834 1.00855.43 C ATOM 23291 C4* U B1141 -855.578 -89.861 81.229 1.00855.43 C ATOM 23292 O4* U B1141 -856.570 -89.421 82.189 1.00855.43 O ATOM 23293 C3* U B1141 -855.903 -89.058 79.961 1.00855.43 C ATOM 23294 O3* U B1141 -855.329 -89.547 78.745 1.00855.43 O ATOM 23295 C2* U B1141 -857.423 -88.910 80.011 1.00855.43 C ATOM 23296 O2* U B1141 -858.178 -89.935 79.406 1.00855.43 O ATOM 23297 C1* U B1141 -857.688 -88.871 81.520 1.00855.43 C ATOM 23298 N1 U B1141 -857.900 -87.513 82.038 1.00855.43 N ATOM 23299 C2 U B1141 -859.177 -87.167 82.436 1.00855.43 C ATOM 23300 O2 U B1141 -860.119 -87.931 82.369 1.00855.43 O ATOM 23301 N3 U B1141 -859.308 -85.886 82.906 1.00855.43 N ATOM 23302 C4 U B1141 -858.316 -84.938 83.010 1.00855.43 C ATOM 23303 O4 U B1141 -858.583 -83.838 83.497 1.00855.43 O ATOM 23304 C5 U B1141 -857.025 -85.374 82.578 1.00855.43 C ATOM 23305 C6 U B1141 -856.864 -86.618 82.122 1.00855.43 C ATOM 23306 P G B1142 -854.845 -91.081 78.623 1.00855.43 P ATOM 23307 O1P G B1142 -853.671 -91.287 79.508 1.00855.43 O ATOM 23308 O2P G B1142 -854.720 -91.389 77.176 1.00855.43 O ATOM 23309 O5* G B1142 -856.071 -91.930 79.186 1.00855.43 O ATOM 23310 C5* G B1142 -856.278 -93.272 78.751 1.00855.43 C ATOM 23311 C4* G B1142 -857.748 -93.545 78.544 1.00855.43 C ATOM 23312 O4* G B1142 -858.430 -93.619 79.818 1.00855.43 O ATOM 23313 C3* G B1142 -858.523 -92.502 77.747 1.00855.43 C ATOM 23314 O3* G B1142 -858.368 -92.766 76.358 1.00855.43 O ATOM 23315 C2* G B1142 -859.962 -92.710 78.216 1.00855.43 C ATOM 23316 O2* G B1142 -860.683 -93.664 77.471 1.00855.43 O ATOM 23317 C1* G B1142 -859.776 -93.220 79.650 1.00855.43 C ATOM 23318 N9 G B1142 -860.122 -92.259 80.685 1.00855.43 N ATOM 23319 C8 G B1142 -859.312 -91.774 81.685 1.00855.43 C ATOM 23320 N7 G B1142 -859.920 -90.920 82.466 1.00855.43 N ATOM 23321 C5 G B1142 -861.204 -90.839 81.948 1.00855.43 C ATOM 23322 C6 G B1142 -862.320 -90.075 82.374 1.00855.43 C ATOM 23323 O6 G B1142 -862.401 -89.295 83.328 1.00855.43 O ATOM 23324 N1 G B1142 -863.429 -90.289 81.560 1.00855.43 N ATOM 23325 C2 G B1142 -863.461 -91.132 80.475 1.00855.43 C ATOM 23326 N2 G B1142 -864.629 -91.204 79.817 1.00855.43 N ATOM 23327 N3 G B1142 -862.431 -91.853 80.070 1.00855.43 N ATOM 23328 C4 G B1142 -861.342 -91.656 80.849 1.00855.43 C ATOM 23329 P A B1143 -858.126 -91.549 75.334 1.00855.43 P ATOM 23330 O1P A B1143 -856.789 -90.983 75.638 1.00855.43 O ATOM 23331 O2P A B1143 -859.321 -90.669 75.355 1.00855.43 O ATOM 23332 O5* A B1143 -858.045 -92.258 73.905 1.00855.43 O ATOM 23333 C5* A B1143 -857.685 -93.633 73.800 1.00855.43 C ATOM 23334 C4* A B1143 -858.914 -94.495 73.620 1.00855.43 C ATOM 23335 O4* A B1143 -859.851 -94.264 74.701 1.00855.43 O ATOM 23336 C3* A B1143 -859.672 -94.207 72.355 1.00855.43 C ATOM 23337 O3* A B1143 -859.148 -95.001 71.301 1.00855.43 O ATOM 23338 C2* A B1143 -861.107 -94.586 72.703 1.00855.43 C ATOM 23339 O2* A B1143 -861.359 -95.965 72.546 1.00855.43 O ATOM 23340 C1* A B1143 -861.174 -94.213 74.185 1.00855.43 C ATOM 23341 N9 A B1143 -861.690 -92.856 74.359 1.00855.43 N ATOM 23342 C8 A B1143 -861.474 -91.763 73.554 1.00855.43 C ATOM 23343 N7 A B1143 -862.105 -90.685 73.948 1.00855.43 N ATOM 23344 C5 A B1143 -862.777 -91.089 75.091 1.00855.43 C ATOM 23345 C6 A B1143 -863.633 -90.407 75.977 1.00855.43 C ATOM 23346 N6 A B1143 -863.973 -89.127 75.836 1.00855.43 N ATOM 23347 N1 A B1143 -864.134 -91.101 77.021 1.00855.43 N ATOM 23348 C2 A B1143 -863.796 -92.391 77.156 1.00855.43 C ATOM 23349 N3 A B1143 -863.006 -93.140 76.390 1.00855.43 N ATOM 23350 C4 A B1143 -862.524 -92.420 75.361 1.00855.43 C ATOM 23351 P U B1144 -858.185 -94.320 70.208 1.00855.43 P ATOM 23352 O1P U B1144 -858.044 -95.275 69.077 1.00855.43 O ATOM 23353 O2P U B1144 -856.972 -93.824 70.907 1.00855.43 O ATOM 23354 O5* U B1144 -859.017 -93.060 69.703 1.00855.43 O ATOM 23355 C5* U B1144 -860.379 -93.207 69.308 1.00855.43 C ATOM 23356 C4* U B1144 -861.033 -91.854 69.140 1.00855.43 C ATOM 23357 O4* U B1144 -860.495 -90.914 70.104 1.00855.43 O ATOM 23358 C3* U B1144 -860.826 -91.200 67.796 1.00855.43 C ATOM 23359 O3* U B1144 -861.823 -91.665 66.895 1.00855.43 O ATOM 23360 C2* U B1144 -860.995 -89.717 68.104 1.00855.43 C ATOM 23361 O2* U B1144 -862.349 -89.312 68.095 1.00855.43 O ATOM 23362 C1* U B1144 -860.445 -89.619 69.529 1.00855.43 C ATOM 23363 N1 U B1144 -859.062 -89.128 69.585 1.00855.43 N ATOM 23364 C2 U B1144 -858.778 -88.128 70.495 1.00855.43 C ATOM 23365 O2 U B1144 -859.612 -87.664 71.252 1.00855.43 O ATOM 23366 N3 U B1144 -857.473 -87.690 70.488 1.00855.43 N ATOM 23367 C4 U B1144 -856.451 -88.145 69.683 1.00855.43 C ATOM 23368 O4 U B1144 -855.332 -87.636 69.782 1.00855.43 O ATOM 23369 C5 U B1144 -856.822 -89.188 68.775 1.00855.43 C ATOM 23370 C6 U B1144 -858.085 -89.634 68.761 1.00855.43 C ATOM 23371 P C B1145 -861.646 -91.416 65.317 1.00855.43 P ATOM 23372 O1P C B1145 -860.456 -92.188 64.875 1.00855.43 O ATOM 23373 O2P C B1145 -861.701 -89.951 65.068 1.00855.43 O ATOM 23374 O5* C B1145 -862.943 -92.081 64.676 1.00855.43 O ATOM 23375 C5* C B1145 -864.215 -91.448 64.765 1.00855.43 C ATOM 23376 C4* C B1145 -864.876 -91.418 63.406 1.00855.43 C ATOM 23377 O4* C B1145 -865.270 -92.763 63.031 1.00855.43 O ATOM 23378 C3* C B1145 -866.141 -90.570 63.249 1.00855.43 C ATOM 23379 O3* C B1145 -865.803 -89.224 62.929 1.00855.43 O ATOM 23380 C2* C B1145 -866.841 -91.247 62.074 1.00855.43 C ATOM 23381 O2* C B1145 -866.342 -90.813 60.824 1.00855.43 O ATOM 23382 C1* C B1145 -866.466 -92.717 62.278 1.00855.43 C ATOM 23383 N1 C B1145 -867.492 -93.517 62.971 1.00855.43 N ATOM 23384 C2 C B1145 -868.752 -93.663 62.376 1.00855.43 C ATOM 23385 O2 C B1145 -868.970 -93.113 61.284 1.00855.43 O ATOM 23386 N3 C B1145 -869.699 -94.398 63.003 1.00855.43 N ATOM 23387 C4 C B1145 -869.425 -94.975 64.173 1.00855.43 C ATOM 23388 N4 C B1145 -870.387 -95.693 64.757 1.00855.43 N ATOM 23389 C5 C B1145 -868.153 -94.844 64.803 1.00855.43 C ATOM 23390 C6 C B1145 -867.223 -94.111 64.172 1.00855.43 C ATOM 23391 P G B1146 -867.035 -88.327 62.928 1.00851.86 P ATOM 23392 O1P G B1146 -867.720 -88.634 61.647 1.00851.86 O ATOM 23393 O2P G B1146 -866.443 -86.980 63.140 1.00851.86 O ATOM 23394 O5* G B1146 -868.046 -88.623 64.125 1.00851.86 O ATOM 23395 C5* G B1146 -869.245 -87.864 64.293 1.00851.86 C ATOM 23396 C4* G B1146 -869.744 -88.010 65.714 1.00851.86 C ATOM 23397 O4* G B1146 -870.887 -87.152 65.959 1.00851.86 O ATOM 23398 C3* G B1146 -870.218 -89.399 66.069 1.00851.86 C ATOM 23399 O3* G B1146 -869.084 -90.162 66.459 1.00851.86 O ATOM 23400 C2* G B1146 -871.180 -89.152 67.222 1.00851.86 C ATOM 23401 O2* G B1146 -870.513 -89.035 68.463 1.00851.86 O ATOM 23402 C1* G B1146 -871.788 -87.795 66.849 1.00851.86 C ATOM 23403 N9 G B1146 -873.089 -87.899 66.191 1.00851.86 N ATOM 23404 C8 G B1146 -873.490 -87.228 65.060 1.00851.86 C ATOM 23405 N7 G B1146 -874.712 -87.511 64.701 1.00851.86 N ATOM 23406 C5 G B1146 -875.149 -88.428 65.644 1.00851.86 C ATOM 23407 C6 G B1146 -876.405 -89.093 65.768 1.00851.86 C ATOM 23408 O6 G B1146 -877.410 -88.991 65.043 1.00851.86 O ATOM 23409 N1 G B1146 -876.423 -89.946 66.866 1.00851.86 N ATOM 23410 C2 G B1146 -875.382 -90.138 67.737 1.00851.86 C ATOM 23411 N2 G B1146 -875.610 -91.013 68.724 1.00851.86 N ATOM 23412 N3 G B1146 -874.205 -89.520 67.641 1.00851.86 N ATOM 23413 C4 G B1146 -874.161 -88.685 66.577 1.00851.86 C ATOM 23414 P G B1147 -868.859 -91.622 65.829 1.00851.86 P ATOM 23415 O1P G B1147 -867.425 -91.968 65.988 1.00851.86 O ATOM 23416 O2P G B1147 -869.479 -91.647 64.482 1.00851.86 O ATOM 23417 O5* G B1147 -869.707 -92.569 66.785 1.00851.86 O ATOM 23418 C5* G B1147 -869.488 -92.564 68.192 1.00851.86 C ATOM 23419 C4* G B1147 -870.745 -92.983 68.914 1.00851.86 C ATOM 23420 O4* G B1147 -871.843 -92.114 68.541 1.00851.86 O ATOM 23421 C3* G B1147 -871.236 -94.397 68.610 1.00851.86 C ATOM 23422 O3* G B1147 -870.580 -95.390 69.385 1.00851.86 O ATOM 23423 C2* G B1147 -872.726 -94.294 68.915 1.00851.86 C ATOM 23424 O2* G B1147 -873.011 -94.429 70.293 1.00851.86 O ATOM 23425 C1* G B1147 -873.040 -92.868 68.465 1.00851.86 C ATOM 23426 N9 G B1147 -873.531 -92.810 67.091 1.00851.86 N ATOM 23427 C8 G B1147 -873.049 -92.029 66.068 1.00851.86 C ATOM 23428 N7 G B1147 -873.691 -92.202 64.943 1.00851.86 N ATOM 23429 C5 G B1147 -874.659 -93.152 65.245 1.00851.86 C ATOM 23430 C6 G B1147 -875.655 -93.741 64.425 1.00851.86 C ATOM 23431 O6 G B1147 -875.889 -93.535 63.231 1.00851.86 O ATOM 23432 N1 G B1147 -876.421 -94.662 65.134 1.00851.86 N ATOM 23433 C2 G B1147 -876.252 -94.974 66.462 1.00851.86 C ATOM 23434 N2 G B1147 -877.092 -95.890 66.965 1.00851.86 N ATOM 23435 N3 G B1147 -875.329 -94.433 67.234 1.00851.86 N ATOM 23436 C4 G B1147 -874.571 -93.537 66.566 1.00851.86 C ATOM 23437 P G B1148 -870.298 -96.838 68.739 1.00851.86 P ATOM 23438 O1P G B1148 -869.811 -97.726 69.825 1.00851.86 O ATOM 23439 O2P G B1148 -869.477 -96.651 67.516 1.00851.86 O ATOM 23440 O5* G B1148 -871.744 -97.332 68.297 1.00851.86 O ATOM 23441 C5* G B1148 -872.760 -97.568 69.268 1.00851.86 C ATOM 23442 C4* G B1148 -873.948 -98.249 68.635 1.00851.86 C ATOM 23443 O4* G B1148 -874.476 -97.441 67.554 1.00851.86 O ATOM 23444 C3* G B1148 -873.670 -99.607 68.002 1.00851.86 C ATOM 23445 O3* G B1148 -873.653-100.665 68.952 1.00851.86 O ATOM 23446 C2* G B1148 -874.802 -99.737 66.986 1.00851.86 C ATOM 23447 O2* G B1148 -876.003-100.203 67.567 1.00851.86 O ATOM 23448 C1* G B1148 -874.991 -98.285 66.538 1.00851.86 C ATOM 23449 N9 G B1148 -874.311 -97.960 65.286 1.00851.86 N ATOM 23450 C8 G B1148 -873.487 -96.887 65.049 1.00851.86 C ATOM 23451 N7 G B1148 -873.031 -96.854 63.824 1.00851.86 N ATOM 23452 C5 G B1148 -873.586 -97.974 63.220 1.00851.86 C ATOM 23453 C6 G B1148 -873.455 -98.460 61.894 1.00851.86 C ATOM 23454 O6 G B1148 -872.806 -97.979 60.955 1.00851.86 O ATOM 23455 N1 G B1148 -874.184 -99.628 61.703 1.00851.86 N ATOM 23456 C2 G B1148 -874.944-100.249 62.663 1.00851.86 C ATOM 23457 N2 G B1148 -875.570-101.374 62.282 1.00851.86 N ATOM 23458 N3 G B1148 -875.076 -99.805 63.903 1.00851.86 N ATOM 23459 C4 G B1148 -874.375 -98.669 64.112 1.00851.86 C ATOM 23460 P G B1149 -872.862-102.022 68.618 1.00851.86 P ATOM 23461 O1P G B1149 -873.323-103.051 69.586 1.00851.86 O ATOM 23462 O2P G B1149 -871.413-101.710 68.512 1.00851.86 O ATOM 23463 O5* G B1149 -873.398-102.424 67.175 1.00851.86 O ATOM 23464 C5* G B1149 -872.583-103.140 66.252 1.00851.86 C ATOM 23465 C4* G B1149 -872.672-102.501 64.885 1.00851.86 C ATOM 23466 O4* G B1149 -872.348-101.090 64.988 1.00851.86 O ATOM 23467 C3* G B1149 -871.698-103.056 63.867 1.00851.86 C ATOM 23468 O3* G B1149 -872.245-104.193 63.210 1.00851.86 O ATOM 23469 C2* G B1149 -871.512-101.890 62.902 1.00851.86 C ATOM 23470 O2* G B1149 -872.533-101.820 61.929 1.00851.86 O ATOM 23471 C1* G B1149 -871.616-100.689 63.840 1.00851.86 C ATOM 23472 N9 G B1149 -870.308-100.193 64.256 1.00851.86 N ATOM 23473 C8 G B1149 -869.562-100.580 65.344 1.00851.86 C ATOM 23474 N7 G B1149 -868.427 -99.940 65.439 1.00851.86 N ATOM 23475 C5 G B1149 -868.424 -99.079 64.352 1.00851.86 C ATOM 23476 C6 G B1149 -867.452 -98.132 63.922 1.00851.86 C ATOM 23477 O6 G B1149 -866.368 -97.852 64.447 1.00851.86 O ATOM 23478 N1 G B1149 -867.857 -97.476 62.765 1.00851.86 N ATOM 23479 C2 G B1149 -869.034 -97.701 62.095 1.00851.86 C ATOM 23480 N2 G B1149 -869.241 -96.965 60.996 1.00851.86 N ATOM 23481 N3 G B1149 -869.944 -98.578 62.482 1.00851.86 N ATOM 23482 C4 G B1149 -869.575 -99.228 63.608 1.00851.86 C ATOM 23483 P C B1150 -871.339-105.022 62.173 1.00851.86 P ATOM 23484 O1P C B1150 -872.096-106.237 61.787 1.00851.86 O ATOM 23485 O2P C B1150 -869.972-105.155 62.738 1.00851.86 O ATOM 23486 O5* C B1150 -871.274-104.094 60.883 1.00851.86 O ATOM 23487 C5* C B1150 -872.284-104.159 59.884 1.00851.86 C ATOM 23488 C4* C B1150 -871.680-103.901 58.526 1.00851.86 C ATOM 23489 O4* C B1150 -871.340-102.497 58.431 1.00851.86 O ATOM 23490 C3* C B1150 -870.370-104.655 58.294 1.00851.86 C ATOM 23491 O3* C B1150 -870.596-105.945 57.728 1.00851.86 O ATOM 23492 C2* C B1150 -869.623-103.742 57.323 1.00851.86 C ATOM 23493 O2* C B1150 -869.987-103.969 55.978 1.00851.86 O ATOM 23494 C1* C B1150 -870.112-102.351 57.744 1.00851.86 C ATOM 23495 N1 C B1150 -869.197-101.588 58.606 1.00851.86 N ATOM 23496 C2 C B1150 -868.291-100.707 58.006 1.00851.86 C ATOM 23497 O2 C B1150 -868.263-100.626 56.770 1.00851.86 O ATOM 23498 N3 C B1150 -867.469 -99.968 58.787 1.00851.86 N ATOM 23499 C4 C B1150 -867.527-100.088 60.114 1.00851.86 C ATOM 23500 N4 C B1150 -866.710 -99.331 60.850 1.00851.86 N ATOM 23501 C5 C B1150 -868.428-100.991 60.752 1.00851.86 C ATOM 23502 C6 C B1150 -869.238-101.716 59.968 1.00851.86 C ATOM 23503 P U B1151 -869.466-107.084 57.839 1.00851.86 P ATOM 23504 O1P U B1151 -870.182-108.374 58.032 1.00851.86 O ATOM 23505 O2P U B1151 -868.450-106.656 58.834 1.00851.86 O ATOM 23506 O5* U B1151 -868.798-107.110 56.392 1.00851.86 O ATOM 23507 C5* U B1151 -869.575-106.798 55.240 1.00851.86 C ATOM 23508 C4* U B1151 -868.811-107.097 53.968 1.00851.86 C ATOM 23509 O4* U B1151 -867.745-106.134 53.771 1.00851.86 O ATOM 23510 C3* U B1151 -868.177-108.472 53.940 1.00851.86 C ATOM 23511 O3* U B1151 -869.085-109.446 53.434 1.00851.86 O ATOM 23512 C2* U B1151 -867.012-108.268 52.971 1.00851.86 C ATOM 23513 O2* U B1151 -867.396-108.419 51.620 1.00851.86 O ATOM 23514 C1* U B1151 -866.632-106.805 53.212 1.00851.86 C ATOM 23515 N1 U B1151 -865.457-106.598 54.069 1.00851.86 N ATOM 23516 C2 U B1151 -864.953-105.315 54.151 1.00851.86 C ATOM 23517 O2 U B1151 -865.438-104.375 53.547 1.00851.86 O ATOM 23518 N3 U B1151 -863.865-105.170 54.969 1.00851.86 N ATOM 23519 C4 U B1151 -863.245-106.154 55.699 1.00851.86 C ATOM 23520 O4 U B1151 -862.266-105.864 56.393 1.00851.86 O ATOM 23521 C5 U B1151 -863.822-107.457 55.561 1.00851.86 C ATOM 23522 C6 U B1151 -864.881-107.631 54.766 1.00851.86 C ATOM 23523 P C B1152 -870.295-109.964 54.354 1.00851.86 P ATOM 23524 O1P C B1152 -869.955-109.657 55.767 1.00851.86 O ATOM 23525 O2P C B1152 -870.616-111.362 53.965 1.00851.86 O ATOM 23526 O5* C B1152 -871.517-109.035 53.923 1.00851.86 O ATOM 23527 C5* C B1152 -871.628-108.561 52.584 1.00851.86 C ATOM 23528 C4* C B1152 -873.058-108.198 52.274 1.00851.86 C ATOM 23529 O4* C B1152 -873.912-109.350 52.516 1.00851.86 O ATOM 23530 C3* C B1152 -873.694-107.113 53.101 1.00851.86 C ATOM 23531 O3* C B1152 -873.316-105.842 52.601 1.00851.86 O ATOM 23532 C2* C B1152 -875.180-107.386 52.940 1.00851.86 C ATOM 23533 O2* C B1152 -875.707-106.866 51.735 1.00851.86 O ATOM 23534 C1* C B1152 -875.204-108.914 52.916 1.00851.86 C ATOM 23535 N1 C B1152 -875.458-109.410 54.277 1.00851.86 N ATOM 23536 C2 C B1152 -876.767-109.407 54.763 1.00851.86 C ATOM 23537 O2 C B1152 -877.686-109.049 54.008 1.00851.86 O ATOM 23538 N3 C B1152 -877.003-109.797 56.035 1.00851.86 N ATOM 23539 C4 C B1152 -875.986-110.186 56.808 1.00851.86 C ATOM 23540 N4 C B1152 -876.261-110.538 58.067 1.00851.86 N ATOM 23541 C5 C B1152 -874.644-110.227 56.330 1.00851.86 C ATOM 23542 C6 C B1152 -874.430-109.835 55.070 1.00851.86 C ATOM 23543 P A B1153 -872.323-104.932 53.477 1.00851.86 P ATOM 23544 O1P A B1153 -872.112-105.649 54.760 1.00851.86 O ATOM 23545 O2P A B1153 -872.857-103.547 53.493 1.00851.86 O ATOM 23546 O5* A B1153 -870.949-104.929 52.683 1.00851.86 O ATOM 23547 C5* A B1153 -869.951-103.948 52.968 1.00851.86 C ATOM 23548 C4* A B1153 -869.746-103.056 51.773 1.00851.86 C ATOM 23549 O4* A B1153 -868.714-103.624 50.929 1.00851.86 O ATOM 23550 C3* A B1153 -870.878-102.876 50.780 1.00851.86 C ATOM 23551 O3* A B1153 -871.844-101.964 51.275 1.00851.86 O ATOM 23552 C2* A B1153 -870.179-102.382 49.524 1.00851.86 C ATOM 23553 O2* A B1153 -869.961-100.988 49.548 1.00851.86 O ATOM 23554 C1* A B1153 -868.838-103.116 49.615 1.00851.86 C ATOM 23555 N9 A B1153 -868.778-104.252 48.699 1.00851.86 N ATOM 23556 C8 A B1153 -868.625-105.577 49.029 1.00851.86 C ATOM 23557 N7 A B1153 -868.618-106.383 47.996 1.00851.86 N ATOM 23558 C5 A B1153 -868.773-105.534 46.911 1.00851.86 C ATOM 23559 C6 A B1153 -868.844-105.770 45.531 1.00851.86 C ATOM 23560 N6 A B1153 -868.769-106.985 44.983 1.00851.86 N ATOM 23561 N1 A B1153 -868.999-104.703 44.717 1.00851.86 N ATOM 23562 C2 A B1153 -869.072-103.486 45.270 1.00851.86 C ATOM 23563 N3 A B1153 -869.019-103.136 46.552 1.00851.86 N ATOM 23564 C4 A B1153 -868.867-104.218 47.329 1.00851.86 C ATOM 23565 P A B1154 -873.363-102.072 50.765 1.00851.86 P ATOM 23566 O1P A B1154 -873.821-103.460 51.033 1.00851.86 O ATOM 23567 O2P A B1154 -873.437-101.529 49.383 1.00851.86 O ATOM 23568 O5* A B1154 -874.160-101.098 51.736 1.00851.86 O ATOM 23569 C5* A B1154 -874.238 -99.699 51.476 1.00851.86 C ATOM 23570 C4* A B1154 -874.168 -98.933 52.774 1.00851.86 C ATOM 23571 O4* A B1154 -875.297 -99.338 53.589 1.00851.86 O ATOM 23572 C3* A B1154 -872.969 -99.189 53.661 1.00851.86 C ATOM 23573 O3* A B1154 -871.881 -98.359 53.241 1.00851.86 O ATOM 23574 C2* A B1154 -873.484 -98.842 55.053 1.00851.86 C ATOM 23575 O2* A B1154 -873.419 -97.455 55.327 1.00851.86 O ATOM 23576 C1* A B1154 -874.949 -99.268 54.960 1.00851.86 C ATOM 23577 N9 A B1154 -875.240-100.568 55.574 1.00851.86 N ATOM 23578 C8 A B1154 -875.964-101.604 55.037 1.00851.86 C ATOM 23579 N7 A B1154 -876.104-102.630 55.847 1.00851.86 N ATOM 23580 C5 A B1154 -875.412-102.251 56.979 1.00851.86 C ATOM 23581 C6 A B1154 -875.191-102.899 58.197 1.00851.86 C ATOM 23582 N6 A B1154 -875.681-104.101 58.480 1.00851.86 N ATOM 23583 N1 A B1154 -874.456-102.256 59.129 1.00851.86 N ATOM 23584 C2 A B1154 -873.991-101.035 58.844 1.00851.86 C ATOM 23585 N3 A B1154 -874.139-100.315 57.734 1.00851.86 N ATOM 23586 C4 A B1154 -874.868-100.989 56.830 1.00851.86 C ATOM 23587 P G B1155 -870.380 -98.939 53.251 1.00851.86 P ATOM 23588 O1P G B1155 -870.292 -99.970 52.185 1.00851.86 O ATOM 23589 O2P G B1155 -870.034 -99.303 54.649 1.00851.86 O ATOM 23590 O5* G B1155 -869.459 -97.712 52.817 1.00851.86 O ATOM 23591 C5* G B1155 -868.848 -96.862 53.786 1.00851.86 C ATOM 23592 C4* G B1155 -867.395 -96.634 53.432 1.00851.86 C ATOM 23593 O4* G B1155 -866.675 -97.886 53.540 1.00851.86 O ATOM 23594 C3* G B1155 -867.158 -96.161 52.016 1.00851.86 C ATOM 23595 O3* G B1155 -867.245 -94.738 51.974 1.00851.86 O ATOM 23596 C2* G B1155 -865.749 -96.665 51.712 1.00851.86 C ATOM 23597 O2* G B1155 -864.746 -95.783 52.168 1.00851.86 O ATOM 23598 C1* G B1155 -865.693 -97.961 52.525 1.00851.86 C ATOM 23599 N9 G B1155 -865.968 -99.168 51.752 1.00851.86 N ATOM 23600 C8 G B1155 -867.177 -99.815 51.660 1.00851.86 C ATOM 23601 N7 G B1155 -867.128-100.886 50.916 1.00851.86 N ATOM 23602 C5 G B1155 -865.813-100.947 50.486 1.00851.86 C ATOM 23603 C6 G B1155 -865.166-101.891 49.651 1.00851.86 C ATOM 23604 O6 G B1155 -865.641-102.900 49.114 1.00851.86 O ATOM 23605 N1 G B1155 -863.826-101.574 49.461 1.00851.86 N ATOM 23606 C2 G B1155 -863.186-100.490 50.012 1.00851.86 C ATOM 23607 N2 G B1155 -861.883-100.360 49.701 1.00851.86 N ATOM 23608 N3 G B1155 -863.776 -99.603 50.795 1.00851.86 N ATOM 23609 C4 G B1155 -865.082 -99.890 50.990 1.00851.86 C ATOM 23610 P U B1156 -868.303 -94.029 50.988 1.00851.86 P ATOM 23611 O1P U B1156 -868.440 -92.621 51.447 1.00851.86 O ATOM 23612 O2P U B1156 -869.505 -94.890 50.893 1.00851.86 O ATOM 23613 O5* U B1156 -867.573 -94.013 49.568 1.00851.86 O ATOM 23614 C5* U B1156 -866.267 -93.462 49.431 1.00851.86 C ATOM 23615 C4* U B1156 -865.681 -93.816 48.081 1.00851.86 C ATOM 23616 O4* U B1156 -865.581 -95.260 47.968 1.00851.86 O ATOM 23617 C3* U B1156 -866.489 -93.410 46.865 1.00851.86 C ATOM 23618 O3* U B1156 -866.229 -92.062 46.490 1.00851.86 O ATOM 23619 C2* U B1156 -866.000 -94.378 45.793 1.00851.86 C ATOM 23620 O2* U B1156 -864.800 -93.952 45.184 1.00851.86 O ATOM 23621 C1* U B1156 -865.738 -95.645 46.610 1.00851.86 C ATOM 23622 N1 U B1156 -866.843 -96.606 46.514 1.00851.86 N ATOM 23623 C2 U B1156 -866.691 -97.686 45.657 1.00851.86 C ATOM 23624 O2 U B1156 -865.679 -97.882 45.007 1.00851.86 O ATOM 23625 N3 U B1156 -867.771 -98.531 45.591 1.00851.86 N ATOM 23626 C4 U B1156 -868.963 -98.411 46.286 1.00851.86 C ATOM 23627 O4 U B1156 -869.846 -99.253 46.125 1.00851.86 O ATOM 23628 C5 U B1156 -869.038 -97.273 47.154 1.00851.86 C ATOM 23629 C6 U B1156 -868.001 -96.431 47.237 1.00851.86 C ATOM 23630 P G B1157 -867.290 -91.276 45.573 1.00851.86 P ATOM 23631 O1P G B1157 -866.788 -89.885 45.406 1.00851.86 O ATOM 23632 O2P G B1157 -868.648 -91.499 46.130 1.00851.86 O ATOM 23633 O5* G B1157 -867.199 -92.006 44.159 1.00851.86 O ATOM 23634 C5* G B1157 -866.065 -91.823 43.318 1.00851.86 C ATOM 23635 C4* G B1157 -866.163 -92.697 42.089 1.00851.86 C ATOM 23636 O4* G B1157 -866.150 -94.103 42.450 1.00851.86 O ATOM 23637 C3* G B1157 -867.405 -92.564 41.227 1.00851.86 C ATOM 23638 O3* G B1157 -867.311 -91.427 40.379 1.00851.86 O ATOM 23639 C2* G B1157 -867.420 -93.871 40.444 1.00851.86 C ATOM 23640 O2* G B1157 -866.601 -93.824 39.293 1.00851.86 O ATOM 23641 C1* G B1157 -866.823 -94.855 41.454 1.00851.86 C ATOM 23642 N9 G B1157 -867.839 -95.681 42.098 1.00851.86 N ATOM 23643 C8 G B1157 -868.689 -95.310 43.113 1.00851.86 C ATOM 23644 N7 G B1157 -869.501 -96.267 43.472 1.00851.86 N ATOM 23645 C5 G B1157 -869.166 -97.335 42.647 1.00851.86 C ATOM 23646 C6 G B1157 -869.710 -98.645 42.573 1.00851.86 C ATOM 23647 O6 G B1157 -870.624 -99.143 43.239 1.00851.86 O ATOM 23648 N1 G B1157 -869.074 -99.406 41.598 1.00851.86 N ATOM 23649 C2 G B1157 -868.051 -98.967 40.795 1.00851.86 C ATOM 23650 N2 G B1157 -867.571 -99.859 39.915 1.00851.86 N ATOM 23651 N3 G B1157 -867.536 -97.749 40.852 1.00851.86 N ATOM 23652 C4 G B1157 -868.141 -96.990 41.794 1.00851.86 C ATOM 23653 P A B1158 -868.650 -90.758 39.802 1.00851.86 P ATOM 23654 O1P A B1158 -868.258 -89.510 39.100 1.00851.86 O ATOM 23655 O2P A B1158 -869.650 -90.699 40.899 1.00851.86 O ATOM 23656 O5* A B1158 -869.163 -91.801 38.710 1.00851.86 O ATOM 23657 C5* A B1158 -869.082 -91.491 37.323 1.00851.86 C ATOM 23658 C4* A B1158 -869.862 -92.493 36.504 1.00851.86 C ATOM 23659 O4* A B1158 -869.291 -93.819 36.653 1.00851.86 O ATOM 23660 C3* A B1158 -871.311 -92.761 36.862 1.00851.86 C ATOM 23661 O3* A B1158 -872.135 -91.732 36.333 1.00851.86 O ATOM 23662 C2* A B1158 -871.616 -94.112 36.224 1.00851.86 C ATOM 23663 O2* A B1158 -872.042 -93.992 34.880 1.00851.86 O ATOM 23664 C1* A B1158 -870.248 -94.795 36.268 1.00851.86 C ATOM 23665 N9 A B1158 -870.242 -95.884 37.245 1.00851.86 N ATOM 23666 C8 A B1158 -870.282 -95.809 38.614 1.00851.86 C ATOM 23667 N7 A B1158 -870.319 -96.980 39.206 1.00851.86 N ATOM 23668 C5 A B1158 -870.288 -97.885 38.154 1.00851.86 C ATOM 23669 C6 A B1158 -870.308 -99.294 38.112 1.00851.86 C ATOM 23670 N6 A B1158 -870.379-100.070 39.197 1.00851.86 N ATOM 23671 N1 A B1158 -870.260 -99.887 36.901 1.00851.86 N ATOM 23672 C2 A B1158 -870.198 -99.110 35.810 1.00851.86 C ATOM 23673 N3 A B1158 -870.179 -97.783 35.720 1.00851.86 N ATOM 23674 C4 A B1158 -870.225 -97.224 36.942 1.00851.86 C ATOM 23675 P U B1159 -873.457 -91.292 37.134 1.00851.86 P ATOM 23676 O1P U B1159 -873.458 -89.809 37.215 1.00851.86 O ATOM 23677 O2P U B1159 -873.533 -92.097 38.379 1.00851.86 O ATOM 23678 O5* U B1159 -874.655 -91.739 36.178 1.00851.86 O ATOM 23679 C5* U B1159 -874.417 -92.037 34.809 1.00851.86 C ATOM 23680 C4* U B1159 -875.082 -93.339 34.415 1.00851.86 C ATOM 23681 O4* U B1159 -874.635 -94.410 35.284 1.00851.86 O ATOM 23682 C3* U B1159 -876.596 -93.339 34.510 1.00851.86 C ATOM 23683 O3* U B1159 -877.163 -92.867 33.294 1.00851.86 O ATOM 23684 C2* U B1159 -876.920 -94.813 34.734 1.00851.86 C ATOM 23685 O2* U B1159 -876.975 -95.544 33.525 1.00851.86 O ATOM 23686 C1* U B1159 -875.718 -95.283 35.555 1.00851.86 C ATOM 23687 N1 U B1159 -875.984 -95.285 37.000 1.00851.86 N ATOM 23688 C2 U B1159 -876.431 -96.464 37.567 1.00851.86 C ATOM 23689 O2 U B1159 -876.582 -97.490 36.927 1.00851.86 O ATOM 23690 N3 U B1159 -876.692 -96.401 38.912 1.00851.86 N ATOM 23691 C4 U B1159 -876.550 -95.303 39.732 1.00851.86 C ATOM 23692 O4 U B1159 -876.848 -95.399 40.927 1.00851.86 O ATOM 23693 C5 U B1159 -876.075 -94.124 39.077 1.00851.86 C ATOM 23694 C6 U B1159 -875.813 -94.153 37.764 1.00851.86 C ATOM 23695 P C B1160 -878.465 -91.921 33.340 1.00851.86 P ATOM 23696 O1P C B1160 -878.932 -91.740 31.943 1.00851.86 O ATOM 23697 O2P C B1160 -878.145 -90.730 34.168 1.00851.86 O ATOM 23698 O5* C B1160 -879.548 -92.793 34.118 1.00851.86 O ATOM 23699 C5* C B1160 -880.481 -93.601 33.405 1.00851.86 C ATOM 23700 C4* C B1160 -881.609 -94.033 34.313 1.00851.86 C ATOM 23701 O4* C B1160 -881.105 -94.902 35.359 1.00851.86 O ATOM 23702 C3* C B1160 -882.396 -93.008 35.127 1.00851.86 C ATOM 23703 O3* C B1160 -883.342 -92.289 34.347 1.00851.86 O ATOM 23704 C2* C B1160 -883.069 -93.852 36.203 1.00851.86 C ATOM 23705 O2* C B1160 -884.287 -94.417 35.768 1.00851.86 O ATOM 23706 C1* C B1160 -882.042 -94.966 36.423 1.00851.86 C ATOM 23707 N1 C B1160 -881.313 -94.835 37.695 1.00851.86 N ATOM 23708 C2 C B1160 -881.640 -95.687 38.763 1.00851.86 C ATOM 23709 O2 C B1160 -882.528 -96.534 38.607 1.00851.86 O ATOM 23710 N3 C B1160 -880.976 -95.563 39.934 1.00851.86 N ATOM 23711 C4 C B1160 -880.024 -94.639 40.068 1.00851.86 C ATOM 23712 N4 C B1160 -879.395 -94.552 41.243 1.00851.86 N ATOM 23713 C5 C B1160 -879.670 -93.761 39.000 1.00851.86 C ATOM 23714 C6 C B1160 -880.333 -93.893 37.844 1.00851.86 C ATOM 23715 P U B1161 -884.038 -90.974 34.957 1.00851.86 P ATOM 23716 O1P U B1161 -884.818 -90.338 33.868 1.00851.86 O ATOM 23717 O2P U B1161 -883.003 -90.189 35.677 1.00851.86 O ATOM 23718 O5* U B1161 -885.064 -91.555 36.032 1.00851.86 O ATOM 23719 C5* U B1161 -886.255 -92.208 35.606 1.00851.86 C ATOM 23720 C4* U B1161 -887.084 -92.639 36.797 1.00851.86 C ATOM 23721 O4* U B1161 -886.422 -93.716 37.507 1.00851.86 O ATOM 23722 C3* U B1161 -887.377 -91.593 37.874 1.00851.86 C ATOM 23723 O3* U B1161 -888.456 -90.728 37.545 1.00851.86 O ATOM 23724 C2* U B1161 -887.703 -92.459 39.086 1.00851.86 C ATOM 23725 O2* U B1161 -889.050 -92.889 39.095 1.00851.86 O ATOM 23726 C1* U B1161 -886.793 -93.675 38.874 1.00851.86 C ATOM 23727 N1 U B1161 -885.582 -93.666 39.707 1.00851.86 N ATOM 23728 C2 U B1161 -885.604 -94.429 40.863 1.00851.86 C ATOM 23729 O2 U B1161 -886.568 -95.097 41.193 1.00851.86 O ATOM 23730 N3 U B1161 -884.460 -94.379 41.616 1.00851.86 N ATOM 23731 C4 U B1161 -883.315 -93.659 41.342 1.00851.86 C ATOM 23732 O4 U B1161 -882.376 -93.696 42.139 1.00851.86 O ATOM 23733 C5 U B1161 -883.363 -92.905 40.126 1.00851.86 C ATOM 23734 C6 U B1161 -884.469 -92.932 39.367 1.00851.86 C ATOM 23735 P A B1162 -888.572 -89.295 38.259 1.00851.86 P ATOM 23736 O1P A B1162 -889.720 -88.587 37.637 1.00851.86 O ATOM 23737 O2P A B1162 -887.231 -88.657 38.262 1.00851.86 O ATOM 23738 O5* A B1162 -888.968 -89.645 39.763 1.00851.86 O ATOM 23739 C5* A B1162 -890.209 -90.272 40.056 1.00851.86 C ATOM 23740 C4* A B1162 -890.205 -90.829 41.459 1.00851.86 C ATOM 23741 O4* A B1162 -889.196 -91.865 41.582 1.00851.86 O ATOM 23742 C3* A B1162 -889.859 -89.872 42.588 1.00851.86 C ATOM 23743 O3* A B1162 -890.956 -89.052 42.966 1.00851.86 O ATOM 23744 C2* A B1162 -889.441 -90.820 43.705 1.00851.86 C ATOM 23745 O2* A B1162 -890.547 -91.348 44.409 1.00851.86 O ATOM 23746 C1* A B1162 -888.754 -91.942 42.925 1.00851.86 C ATOM 23747 N9 A B1162 -887.299 -91.797 42.948 1.00851.86 N ATOM 23748 C8 A B1162 -886.483 -91.284 41.973 1.00851.86 C ATOM 23749 N7 A B1162 -885.216 -91.260 42.301 1.00851.86 N ATOM 23750 C5 A B1162 -885.194 -91.798 43.580 1.00851.86 C ATOM 23751 C6 A B1162 -884.146 -92.043 44.486 1.00851.86 C ATOM 23752 N6 A B1162 -882.868 -91.760 44.232 1.00851.86 N ATOM 23753 N1 A B1162 -884.461 -92.590 45.680 1.00851.86 N ATOM 23754 C2 A B1162 -885.749 -92.868 45.936 1.00851.86 C ATOM 23755 N3 A B1162 -886.818 -92.683 45.168 1.00851.86 N ATOM 23756 C4 A B1162 -886.471 -92.136 43.990 1.00851.86 C ATOM 23757 P C B1163 -890.684 -87.676 43.755 1.00851.86 P ATOM 23758 O1P C B1163 -891.931 -86.873 43.695 1.00851.86 O ATOM 23759 O2P C B1163 -889.411 -87.094 43.251 1.00851.86 O ATOM 23760 O5* C B1163 -890.460 -88.133 45.266 1.00851.86 O ATOM 23761 C5* C B1163 -891.459 -88.879 45.948 1.00851.86 C ATOM 23762 C4* C B1163 -890.917 -89.454 47.235 1.00851.86 C ATOM 23763 O4* C B1163 -889.803 -90.334 46.943 1.00851.86 O ATOM 23764 C3* C B1163 -890.378 -88.476 48.270 1.00851.86 C ATOM 23765 O3* C B1163 -891.428 -87.956 49.078 1.00851.86 O ATOM 23766 C2* C B1163 -889.420 -89.343 49.080 1.00851.86 C ATOM 23767 O2* C B1163 -890.088 -90.096 50.074 1.00851.86 O ATOM 23768 C1* C B1163 -888.872 -90.293 48.014 1.00851.86 C ATOM 23769 N1 C B1163 -887.564 -89.886 47.483 1.00851.86 N ATOM 23770 C2 C B1163 -886.425 -90.098 48.267 1.00851.86 C ATOM 23771 O2 C B1163 -886.557 -90.626 49.379 1.00851.86 O ATOM 23772 N3 C B1163 -885.213 -89.729 47.791 1.00851.86 N ATOM 23773 C4 C B1163 -885.114 -89.166 46.586 1.00851.86 C ATOM 23774 N4 C B1163 -883.897 -88.819 46.158 1.00851.86 N ATOM 23775 C5 C B1163 -886.255 -88.936 45.765 1.00851.86 C ATOM 23776 C6 C B1163 -887.451 -89.307 46.247 1.00851.86 C ATOM 23777 P C B1164 -891.218 -86.562 49.852 1.00851.86 P ATOM 23778 O1P C B1164 -892.543 -86.143 50.375 1.00851.86 O ATOM 23779 O2P C B1164 -890.460 -85.643 48.963 1.00851.86 O ATOM 23780 O5* C B1164 -890.291 -86.937 51.091 1.00851.86 O ATOM 23781 C5* C B1164 -890.712 -87.901 52.055 1.00851.86 C ATOM 23782 C4* C B1164 -889.590 -88.190 53.024 1.00851.86 C ATOM 23783 O4* C B1164 -888.513 -88.847 52.310 1.00851.86 O ATOM 23784 C3* C B1164 -888.973 -86.921 53.626 1.00851.86 C ATOM 23785 O3* C B1164 -889.619 -86.518 54.834 1.00851.86 O ATOM 23786 C2* C B1164 -887.532 -87.344 53.889 1.00851.86 C ATOM 23787 O2* C B1164 -887.378 -88.007 55.127 1.00851.86 O ATOM 23788 C1* C B1164 -887.272 -88.332 52.752 1.00851.86 C ATOM 23789 N1 C B1164 -886.550 -87.787 51.589 1.00851.86 N ATOM 23790 C2 C B1164 -885.157 -87.776 51.611 1.00851.86 C ATOM 23791 O2 C B1164 -884.576 -88.184 52.624 1.00851.86 O ATOM 23792 N3 C B1164 -884.480 -87.313 50.534 1.00851.86 N ATOM 23793 C4 C B1164 -885.148 -86.866 49.471 1.00851.86 C ATOM 23794 N4 C B1164 -884.437 -86.435 48.424 1.00851.86 N ATOM 23795 C5 C B1164 -886.571 -86.844 49.429 1.00851.86 C ATOM 23796 C6 C B1164 -887.229 -87.308 50.499 1.00851.86 C ATOM 23797 P G B1165 -890.470 -85.155 54.877 1.00851.86 P ATOM 23798 O1P G B1165 -891.200 -85.143 56.172 1.00851.86 O ATOM 23799 O2P G B1165 -891.227 -85.035 53.607 1.00851.86 O ATOM 23800 O5* G B1165 -889.372 -84.000 54.923 1.00851.86 O ATOM 23801 C5* G B1165 -888.285 -84.047 55.848 1.00851.86 C ATOM 23802 C4* G B1165 -887.038 -83.468 55.217 1.00851.86 C ATOM 23803 O4* G B1165 -886.685 -84.259 54.055 1.00851.86 O ATOM 23804 C3* G B1165 -887.185 -82.047 54.683 1.00851.86 C ATOM 23805 O3* G B1165 -886.896 -81.078 55.669 1.00851.86 O ATOM 23806 C2* G B1165 -886.134 -81.984 53.587 1.00851.86 C ATOM 23807 O2* G B1165 -884.850 -81.690 54.102 1.00851.86 O ATOM 23808 C1* G B1165 -886.163 -83.414 53.046 1.00851.86 C ATOM 23809 N9 G B1165 -887.003 -83.540 51.865 1.00851.86 N ATOM 23810 C8 G B1165 -888.357 -83.764 51.817 1.00851.86 C ATOM 23811 N7 G B1165 -888.819 -83.833 50.597 1.00851.86 N ATOM 23812 C5 G B1165 -887.701 -83.639 49.798 1.00851.86 C ATOM 23813 C6 G B1165 -887.572 -83.613 48.387 1.00851.86 C ATOM 23814 O6 G B1165 -888.449 -83.763 47.531 1.00851.86 O ATOM 23815 N1 G B1165 -886.251 -83.389 48.001 1.00851.86 N ATOM 23816 C2 G B1165 -885.195 -83.214 48.859 1.00851.86 C ATOM 23817 N2 G B1165 -883.990 -83.005 48.297 1.00851.86 N ATOM 23818 N3 G B1165 -885.304 -83.243 50.172 1.00851.86 N ATOM 23819 C4 G B1165 -886.575 -83.455 50.569 1.00851.86 C ATOM 23820 P A B1166 -888.040 -80.083 56.154 1.00851.86 P ATOM 23821 O1P A B1166 -888.302 -80.479 57.556 1.00851.86 O ATOM 23822 O2P A B1166 -889.148 -80.088 55.163 1.00851.86 O ATOM 23823 O5* A B1166 -887.342 -78.652 56.137 1.00851.86 O ATOM 23824 C5* A B1166 -888.091 -77.483 55.835 1.00851.86 C ATOM 23825 C4* A B1166 -887.190 -76.276 55.815 1.00851.86 C ATOM 23826 O4* A B1166 -886.052 -76.516 54.950 1.00851.86 O ATOM 23827 C3* A B1166 -887.835 -74.996 55.281 1.00851.86 C ATOM 23828 O3* A B1166 -888.580 -74.293 56.267 1.00851.86 O ATOM 23829 C2* A B1166 -886.630 -74.204 54.783 1.00851.86 C ATOM 23830 O2* A B1166 -885.988 -73.470 55.805 1.00851.86 O ATOM 23831 C1* A B1166 -885.705 -75.316 54.281 1.00851.86 C ATOM 23832 N9 A B1166 -885.784 -75.523 52.833 1.00851.86 N ATOM 23833 C8 A B1166 -886.101 -76.652 52.118 1.00851.86 C ATOM 23834 N7 A B1166 -886.101 -76.469 50.812 1.00851.86 N ATOM 23835 C5 A B1166 -885.763 -75.129 50.669 1.00851.86 C ATOM 23836 C6 A B1166 -885.603 -74.309 49.537 1.00851.86 C ATOM 23837 N6 A B1166 -885.776 -74.728 48.283 1.00851.86 N ATOM 23838 N1 A B1166 -885.251 -73.021 49.745 1.00851.86 N ATOM 23839 C2 A B1166 -885.083 -72.594 51.000 1.00851.86 C ATOM 23840 N3 A B1166 -885.208 -73.263 52.141 1.00851.86 N ATOM 23841 C4 A B1166 -885.557 -74.539 51.903 1.00851.86 C ATOM 23842 P A B1167 -890.178 -74.451 56.315 1.00851.86 P ATOM 23843 O1P A B1167 -890.615 -74.035 57.669 1.00851.86 O ATOM 23844 O2P A B1167 -890.529 -75.803 55.815 1.00851.86 O ATOM 23845 O5* A B1167 -890.707 -73.372 55.271 1.00851.86 O ATOM 23846 C5* A B1167 -889.883 -72.281 54.872 1.00851.86 C ATOM 23847 C4* A B1167 -890.090 -71.110 55.798 1.00851.86 C ATOM 23848 O4* A B1167 -889.873 -71.523 57.168 1.00851.86 O ATOM 23849 C3* A B1167 -889.145 -69.940 55.539 1.00851.86 C ATOM 23850 O3* A B1167 -889.692 -69.050 54.568 1.00851.86 O ATOM 23851 C2* A B1167 -889.039 -69.292 56.917 1.00851.86 C ATOM 23852 O2* A B1167 -890.076 -68.365 57.165 1.00851.86 O ATOM 23853 C1* A B1167 -889.208 -70.488 57.861 1.00851.86 C ATOM 23854 N9 A B1167 -887.994 -71.029 58.479 1.00851.86 N ATOM 23855 C8 A B1167 -886.967 -71.722 57.887 1.00851.86 C ATOM 23856 N7 A B1167 -886.046 -72.121 58.729 1.00851.86 N ATOM 23857 C5 A B1167 -886.489 -71.651 59.959 1.00851.86 C ATOM 23858 C6 A B1167 -885.965 -71.753 61.261 1.00851.86 C ATOM 23859 N6 A B1167 -884.839 -72.401 61.560 1.00851.86 N ATOM 23860 N1 A B1167 -886.653 -71.162 62.260 1.00851.86 N ATOM 23861 C2 A B1167 -887.793 -70.525 61.967 1.00851.86 C ATOM 23862 N3 A B1167 -888.392 -70.369 60.790 1.00851.86 N ATOM 23863 C4 A B1167 -887.682 -70.965 59.816 1.00851.86 C ATOM 23864 P G B1168 -887.513 -67.727 53.018 1.00856.73 P ATOM 23865 O1P G B1168 -886.493 -67.219 53.971 1.00856.73 O ATOM 23866 O2P G B1168 -888.385 -66.773 52.290 1.00856.73 O ATOM 23867 O5* G B1168 -886.766 -68.638 51.944 1.00856.73 O ATOM 23868 C5* G B1168 -886.144 -68.053 50.801 1.00856.73 C ATOM 23869 C4* G B1168 -886.592 -68.769 49.553 1.00856.73 C ATOM 23870 O4* G B1168 -886.031 -70.105 49.550 1.00856.73 O ATOM 23871 C3* G B1168 -888.090 -69.005 49.378 1.00856.73 C ATOM 23872 O3* G B1168 -888.783 -67.870 48.883 1.00856.73 O ATOM 23873 C2* G B1168 -888.130 -70.190 48.423 1.00856.73 C ATOM 23874 O2* G B1168 -887.992 -69.817 47.069 1.00856.73 O ATOM 23875 C1* G B1168 -886.904 -70.988 48.868 1.00856.73 C ATOM 23876 N9 G B1168 -887.241 -72.070 49.784 1.00856.73 N ATOM 23877 C8 G B1168 -887.049 -72.097 51.145 1.00856.73 C ATOM 23878 N7 G B1168 -887.461 -73.203 51.700 1.00856.73 N ATOM 23879 C5 G B1168 -887.955 -73.951 50.641 1.00856.73 C ATOM 23880 C6 G B1168 -888.543 -75.245 50.621 1.00856.73 C ATOM 23881 O6 G B1168 -888.757 -76.010 51.566 1.00856.73 O ATOM 23882 N1 G B1168 -888.908 -75.618 49.332 1.00856.73 N ATOM 23883 C2 G B1168 -888.732 -74.849 48.207 1.00856.73 C ATOM 23884 N2 G B1168 -889.152 -75.380 47.054 1.00856.73 N ATOM 23885 N3 G B1168 -888.187 -73.649 48.212 1.00856.73 N ATOM 23886 C4 G B1168 -887.826 -73.264 49.454 1.00856.73 C ATOM 23887 P C B1169 -890.217 -67.482 49.501 1.00856.73 P ATOM 23888 O1P C B1169 -890.249 -66.008 49.639 1.00856.73 O ATOM 23889 O2P C B1169 -890.467 -68.338 50.687 1.00856.73 O ATOM 23890 O5* C B1169 -891.246 -67.893 48.355 1.00856.73 O ATOM 23891 C5* C B1169 -891.006 -67.526 47.002 1.00856.73 C ATOM 23892 C4* C B1169 -891.289 -68.692 46.086 1.00856.73 C ATOM 23893 O4* C B1169 -890.458 -69.823 46.463 1.00856.73 O ATOM 23894 C3* C B1169 -892.701 -69.203 46.126 1.00856.73 C ATOM 23895 O3* C B1169 -893.482 -68.462 45.203 1.00856.73 O ATOM 23896 C2* C B1169 -892.558 -70.667 45.730 1.00856.73 C ATOM 23897 O2* C B1169 -892.501 -70.850 44.328 1.00856.73 O ATOM 23898 C1* C B1169 -891.209 -71.023 46.359 1.00856.73 C ATOM 23899 N1 C B1169 -891.405 -71.571 47.709 1.00856.73 N ATOM 23900 C2 C B1169 -891.550 -72.951 47.861 1.00856.73 C ATOM 23901 O2 C B1169 -891.458 -73.681 46.861 1.00856.73 O ATOM 23902 N3 C B1169 -891.782 -73.461 49.093 1.00856.73 N ATOM 23903 C4 C B1169 -891.865 -72.645 50.148 1.00856.73 C ATOM 23904 N4 C B1169 -892.113 -73.192 51.339 1.00856.73 N ATOM 23905 C5 C B1169 -891.697 -71.236 50.023 1.00856.73 C ATOM 23906 C6 C B1169 -891.469 -70.746 48.798 1.00856.73 C ATOM 23907 P U B1170 -894.804 -67.712 45.723 1.00856.73 P ATOM 23908 O1P U B1170 -895.052 -66.552 44.832 1.00856.73 O ATOM 23909 O2P U B1170 -894.666 -67.498 47.187 1.00856.73 O ATOM 23910 O5* U B1170 -895.954 -68.786 45.487 1.00856.73 O ATOM 23911 C5* U B1170 -896.681 -68.807 44.263 1.00856.73 C ATOM 23912 C4* U B1170 -897.610 -69.996 44.219 1.00856.73 C ATOM 23913 O4* U B1170 -896.912 -71.201 44.633 1.00856.73 O ATOM 23914 C3* U B1170 -898.843 -69.940 45.108 1.00856.73 C ATOM 23915 O3* U B1170 -899.900 -69.203 44.518 1.00856.73 O ATOM 23916 C2* U B1170 -899.194 -71.414 45.273 1.00856.73 C ATOM 23917 O2* U B1170 -899.922 -71.927 44.174 1.00856.73 O ATOM 23918 C1* U B1170 -897.808 -72.053 45.327 1.00856.73 C ATOM 23919 N1 U B1170 -897.351 -72.192 46.716 1.00856.73 N ATOM 23920 C2 U B1170 -897.958 -73.161 47.491 1.00856.73 C ATOM 23921 O2 U B1170 -898.823 -73.904 47.065 1.00856.73 O ATOM 23922 N3 U B1170 -897.514 -73.225 48.788 1.00856.73 N ATOM 23923 C4 U B1170 -896.547 -72.439 49.374 1.00856.73 C ATOM 23924 O4 U B1170 -896.269 -72.607 50.565 1.00856.73 O ATOM 23925 C5 U B1170 -895.955 -71.470 48.503 1.00856.73 C ATOM 23926 C6 U B1170 -896.367 -71.383 47.235 1.00856.73 C ATOM 23927 P A B1171 -900.993 -68.503 45.465 1.00856.73 P ATOM 23928 O1P A B1171 -902.051 -67.929 44.598 1.00856.73 O ATOM 23929 O2P A B1171 -900.276 -67.627 46.429 1.00856.73 O ATOM 23930 O5* A B1171 -901.615 -69.726 46.279 1.00856.73 O ATOM 23931 C5* A B1171 -902.424 -70.693 45.624 1.00856.73 C ATOM 23932 C4* A B1171 -903.162 -71.535 46.638 1.00856.73 C ATOM 23933 O4* A B1171 -902.228 -72.249 47.486 1.00856.73 O ATOM 23934 C3* A B1171 -904.089 -70.825 47.618 1.00856.73 C ATOM 23935 O3* A B1171 -905.340 -70.468 47.052 1.00856.73 O ATOM 23936 C2* A B1171 -904.214 -71.845 48.743 1.00856.73 C ATOM 23937 O2* A B1171 -905.172 -72.849 48.461 1.00856.73 O ATOM 23938 C1* A B1171 -902.811 -72.462 48.763 1.00856.73 C ATOM 23939 N9 A B1171 -901.951 -71.837 49.766 1.00856.73 N ATOM 23940 C8 A B1171 -900.933 -70.942 49.555 1.00856.73 C ATOM 23941 N7 A B1171 -900.344 -70.542 50.656 1.00856.73 N ATOM 23942 C5 A B1171 -901.019 -71.219 51.662 1.00856.73 C ATOM 23943 C6 A B1171 -900.875 -71.222 53.059 1.00856.73 C ATOM 23944 N6 A B1171 -899.965 -70.494 53.712 1.00856.73 N ATOM 23945 N1 A B1171 -901.710 -72.010 53.775 1.00856.73 N ATOM 23946 C2 A B1171 -902.624 -72.737 53.118 1.00856.73 C ATOM 23947 N3 A B1171 -902.856 -72.816 51.811 1.00856.73 N ATOM 23948 C4 A B1171 -902.012 -72.023 51.127 1.00856.73 C ATOM 23949 P U B1172 -906.029 -69.084 47.477 1.00856.73 P ATOM 23950 O1P U B1172 -907.429 -69.104 46.975 1.00856.73 O ATOM 23951 O2P U B1172 -905.126 -67.973 47.085 1.00856.73 O ATOM 23952 O5* U B1172 -906.069 -69.159 49.069 1.00856.73 O ATOM 23953 C5* U B1172 -907.131 -69.833 49.729 1.00856.73 C ATOM 23954 C4* U B1172 -907.046 -69.627 51.222 1.00856.73 C ATOM 23955 O4* U B1172 -905.793 -70.150 51.734 1.00856.73 O ATOM 23956 C3* U B1172 -907.027 -68.221 51.790 1.00856.73 C ATOM 23957 O3* U B1172 -908.304 -67.608 51.768 1.00856.73 O ATOM 23958 C2* U B1172 -906.507 -68.427 53.206 1.00856.73 C ATOM 23959 O2* U B1172 -907.532 -68.826 54.093 1.00856.73 O ATOM 23960 C1* U B1172 -905.519 -69.573 53.002 1.00856.73 C ATOM 23961 N1 U B1172 -904.149 -69.043 52.989 1.00856.73 N ATOM 23962 C2 U B1172 -903.476 -68.962 54.195 1.00856.73 C ATOM 23963 O2 U B1172 -903.950 -69.359 55.246 1.00856.73 O ATOM 23964 N3 U B1172 -902.230 -68.397 54.126 1.00856.73 N ATOM 23965 C4 U B1172 -901.597 -67.920 52.997 1.00856.73 C ATOM 23966 O4 U B1172 -900.492 -67.385 53.100 1.00856.73 O ATOM 23967 C5 U B1172 -902.346 -68.064 51.786 1.00856.73 C ATOM 23968 C6 U B1172 -903.564 -68.613 51.824 1.00856.73 C ATOM 23969 P G B1173 -908.403 -66.005 51.855 1.00856.73 P ATOM 23970 O1P G B1173 -909.777 -65.609 51.460 1.00856.73 O ATOM 23971 O2P G B1173 -907.237 -65.438 51.130 1.00856.73 O ATOM 23972 O5* G B1173 -908.214 -65.690 53.406 1.00856.73 O ATOM 23973 C5* G B1173 -909.344 -65.534 54.258 1.00856.73 C ATOM 23974 C4* G B1173 -908.909 -65.160 55.658 1.00856.73 C ATOM 23975 O4* G B1173 -907.963 -66.136 56.162 1.00856.73 O ATOM 23976 C3* G B1173 -908.207 -63.818 55.800 1.00856.73 C ATOM 23977 O3* G B1173 -909.149 -62.765 55.945 1.00856.73 O ATOM 23978 C2* G B1173 -907.361 -64.010 57.049 1.00856.73 C ATOM 23979 O2* G B1173 -908.100 -63.801 58.237 1.00856.73 O ATOM 23980 C1* G B1173 -906.972 -65.486 56.941 1.00856.73 C ATOM 23981 N9 G B1173 -905.686 -65.656 56.277 1.00856.73 N ATOM 23982 C8 G B1173 -905.455 -65.715 54.923 1.00856.73 C ATOM 23983 N7 G B1173 -904.192 -65.843 54.625 1.00856.73 N ATOM 23984 C5 G B1173 -903.548 -65.873 55.853 1.00856.73 C ATOM 23985 C6 G B1173 -902.169 -65.989 56.166 1.00856.73 C ATOM 23986 O6 G B1173 -901.209 -66.086 55.394 1.00856.73 O ATOM 23987 N1 G B1173 -901.955 -65.988 57.536 1.00856.73 N ATOM 23988 C2 G B1173 -902.931 -65.884 58.486 1.00856.73 C ATOM 23989 N2 G B1173 -902.505 -65.906 59.752 1.00856.73 N ATOM 23990 N3 G B1173 -904.223 -65.768 58.214 1.00856.73 N ATOM 23991 C4 G B1173 -904.454 -65.770 56.885 1.00856.73 C ATOM 23992 P G B1174 -908.858 -61.342 55.256 1.00856.73 P ATOM 23993 O1P G B1174 -910.057 -60.494 55.454 1.00856.73 O ATOM 23994 O2P G B1174 -908.348 -61.587 53.883 1.00856.73 O ATOM 23995 O5* G B1174 -907.669 -60.736 56.126 1.00856.73 O ATOM 23996 C5* G B1174 -907.897 -60.284 57.456 1.00856.73 C ATOM 23997 C4* G B1174 -906.588 -60.139 58.192 1.00856.73 C ATOM 23998 O4* G B1174 -905.881 -61.410 58.193 1.00856.73 O ATOM 23999 C3* G B1174 -905.607 -59.172 57.581 1.00856.73 C ATOM 24000 O3* G B1174 -905.920 -57.858 58.021 1.00856.73 O ATOM 24001 C2* G B1174 -904.265 -59.665 58.105 1.00856.73 C ATOM 24002 O2* G B1174 -903.986 -59.201 59.411 1.00856.73 O ATOM 24003 C1* G B1174 -904.482 -61.179 58.129 1.00856.73 C ATOM 24004 N9 G B1174 -903.981 -61.808 56.912 1.00856.73 N ATOM 24005 C8 G B1174 -904.734 -62.294 55.867 1.00856.73 C ATOM 24006 N7 G B1174 -904.005 -62.774 54.894 1.00856.73 N ATOM 24007 C5 G B1174 -902.696 -62.597 55.325 1.00856.73 C ATOM 24008 C6 G B1174 -901.470 -62.923 54.687 1.00856.73 C ATOM 24009 O6 G B1174 -901.292 -63.443 53.580 1.00856.73 O ATOM 24010 N1 G B1174 -900.379 -62.579 55.476 1.00856.73 N ATOM 24011 C2 G B1174 -900.455 -61.996 56.717 1.00856.73 C ATOM 24012 N2 G B1174 -899.282 -61.739 57.321 1.00856.73 N ATOM 24013 N3 G B1174 -901.588 -61.683 57.322 1.00856.73 N ATOM 24014 C4 G B1174 -902.663 -62.009 56.572 1.00856.73 C ATOM 24015 P A B1175 -905.481 -56.600 57.121 1.00856.73 P ATOM 24016 O1P A B1175 -906.292 -55.431 57.544 1.00856.73 O ATOM 24017 O2P A B1175 -905.491 -57.027 55.699 1.00856.73 O ATOM 24018 O5* A B1175 -903.967 -56.338 57.545 1.00856.73 O ATOM 24019 C5* A B1175 -903.603 -56.230 58.918 1.00856.73 C ATOM 24020 C4* A B1175 -902.106 -56.066 59.049 1.00856.73 C ATOM 24021 O4* A B1175 -901.440 -57.134 58.335 1.00856.73 O ATOM 24022 C3* A B1175 -901.463 -54.801 58.495 1.00856.73 C ATOM 24023 O3* A B1175 -901.587 -53.702 59.392 1.00856.73 O ATOM 24024 C2* A B1175 -900.014 -55.224 58.291 1.00856.73 C ATOM 24025 O2* A B1175 -899.255 -55.139 59.480 1.00856.73 O ATOM 24026 C1* A B1175 -900.171 -56.690 57.887 1.00856.73 C ATOM 24027 N9 A B1175 -900.104 -56.901 56.440 1.00856.73 N ATOM 24028 C8 A B1175 -901.151 -57.051 55.564 1.00856.73 C ATOM 24029 N7 A B1175 -900.779 -57.234 54.323 1.00856.73 N ATOM 24030 C5 A B1175 -899.394 -57.197 54.381 1.00856.73 C ATOM 24031 C6 A B1175 -898.400 -57.333 53.393 1.00856.73 C ATOM 24032 N6 A B1175 -898.662 -57.539 52.101 1.00856.73 N ATOM 24033 N1 A B1175 -897.110 -57.246 53.786 1.00856.73 N ATOM 24034 C2 A B1175 -896.848 -57.040 55.084 1.00856.73 C ATOM 24035 N3 A B1175 -897.693 -56.899 56.101 1.00856.73 N ATOM 24036 C4 A B1175 -898.963 -56.990 55.678 1.00856.73 C ATOM 24037 P U B1176 -901.491 -52.197 58.834 1.00856.73 P ATOM 24038 O1P U B1176 -901.576 -51.294 60.006 1.00856.73 O ATOM 24039 O2P U B1176 -902.462 -52.047 57.718 1.00856.73 O ATOM 24040 O5* U B1176 -900.014 -52.096 58.237 1.00856.73 O ATOM 24041 C5* U B1176 -898.898 -51.945 59.107 1.00856.73 C ATOM 24042 C4* U B1176 -897.597 -52.079 58.344 1.00856.73 C ATOM 24043 O4* U B1176 -897.571 -53.338 57.621 1.00856.73 O ATOM 24044 C3* U B1176 -897.309 -51.010 57.298 1.00856.73 C ATOM 24045 O3* U B1176 -896.676 -49.876 57.879 1.00856.73 O ATOM 24046 C2* U B1176 -896.349 -51.729 56.351 1.00856.73 C ATOM 24047 O2* U B1176 -895.012 -51.699 56.810 1.00856.73 O ATOM 24048 C1* U B1176 -896.869 -53.168 56.403 1.00856.73 C ATOM 24049 N1 U B1176 -897.760 -53.471 55.277 1.00856.73 N ATOM 24050 C2 U B1176 -897.164 -53.795 54.073 1.00856.73 C ATOM 24051 O2 U B1176 -895.953 -53.854 53.936 1.00856.73 O ATOM 24052 N3 U B1176 -898.032 -54.047 53.041 1.00856.73 N ATOM 24053 C4 U B1176 -899.409 -54.010 53.089 1.00856.73 C ATOM 24054 O4 U B1176 -900.056 -54.253 52.070 1.00856.73 O ATOM 24055 C5 U B1176 -899.953 -53.678 54.373 1.00856.73 C ATOM 24056 C6 U B1176 -899.130 -53.427 55.397 1.00856.73 C ATOM 24057 P U B1177 -896.801 -48.444 57.159 1.00856.73 P ATOM 24058 O1P U B1177 -895.825 -47.537 57.816 1.00856.73 O ATOM 24059 O2P U B1177 -898.235 -48.065 57.111 1.00856.73 O ATOM 24060 O5* U B1177 -896.299 -48.705 55.667 1.00856.73 O ATOM 24061 C5* U B1177 -894.907 -48.720 55.362 1.00856.73 C ATOM 24062 C4* U B1177 -894.687 -48.803 53.866 1.00856.73 C ATOM 24063 O4* U B1177 -895.241 -50.028 53.332 1.00856.73 O ATOM 24064 C3* U B1177 -895.302 -47.731 52.963 1.00856.73 C ATOM 24065 O3* U B1177 -894.575 -46.507 52.959 1.00856.73 O ATOM 24066 C2* U B1177 -895.288 -48.392 51.589 1.00856.73 C ATOM 24067 O2* U B1177 -894.055 -48.237 50.922 1.00856.73 O ATOM 24068 C1* U B1177 -895.487 -49.871 51.945 1.00856.73 C ATOM 24069 N1 U B1177 -896.831 -50.378 51.633 1.00856.73 N ATOM 24070 C2 U B1177 -896.923 -51.660 51.129 1.00856.73 C ATOM 24071 O2 U B1177 -895.953 -52.375 50.943 1.00856.73 O ATOM 24072 N3 U B1177 -898.200 -52.080 50.847 1.00856.73 N ATOM 24073 C4 U B1177 -899.368 -51.365 51.016 1.00856.73 C ATOM 24074 O4 U B1177 -900.445 -51.880 50.718 1.00856.73 O ATOM 24075 C5 U B1177 -899.184 -50.044 51.544 1.00856.73 C ATOM 24076 C6 U B1177 -897.955 -49.609 51.827 1.00856.73 C ATOM 24077 P C B1178 -895.190 -45.224 52.212 1.00856.73 P ATOM 24078 O1P C B1178 -894.363 -44.051 52.598 1.00856.73 O ATOM 24079 O2P C B1178 -896.654 -45.197 52.456 1.00856.73 O ATOM 24080 O5* C B1178 -894.943 -45.517 50.666 1.00856.73 O ATOM 24081 C5* C B1178 -893.752 -45.073 50.026 1.00856.73 C ATOM 24082 C4* C B1178 -893.682 -45.590 48.606 1.00856.73 C ATOM 24083 O4* C B1178 -893.595 -47.039 48.617 1.00856.73 O ATOM 24084 C3* C B1178 -894.842 -45.341 47.657 1.00856.73 C ATOM 24085 O3* C B1178 -894.846 -44.027 47.116 1.00856.73 O ATOM 24086 C2* C B1178 -894.624 -46.389 46.573 1.00856.73 C ATOM 24087 O2* C B1178 -893.693 -45.973 45.597 1.00856.73 O ATOM 24088 C1* C B1178 -894.048 -47.553 47.375 1.00856.73 C ATOM 24089 N1 C B1178 -895.080 -48.569 47.636 1.00856.73 N ATOM 24090 C2 C B1178 -894.874 -49.866 47.162 1.00856.73 C ATOM 24091 O2 C B1178 -893.812 -50.129 46.578 1.00856.73 O ATOM 24092 N3 C B1178 -895.833 -50.801 47.354 1.00856.73 N ATOM 24093 C4 C B1178 -896.961 -50.478 47.990 1.00856.73 C ATOM 24094 N4 C B1178 -897.886 -51.428 48.145 1.00856.73 N ATOM 24095 C5 C B1178 -897.186 -49.166 48.498 1.00856.73 C ATOM 24096 C6 C B1178 -896.230 -48.253 48.303 1.00856.73 C ATOM 24097 P A B1179 -896.216 -43.429 46.519 1.00856.73 P ATOM 24098 O1P A B1179 -895.979 -41.996 46.213 1.00856.73 O ATOM 24099 O2P A B1179 -897.328 -43.815 47.427 1.00856.73 O ATOM 24100 O5* A B1179 -896.408 -44.206 45.140 1.00856.73 O ATOM 24101 C5* A B1179 -895.507 -43.991 44.057 1.00856.73 C ATOM 24102 C4* A B1179 -895.708 -45.029 42.975 1.00856.73 C ATOM 24103 O4* A B1179 -895.459 -46.362 43.489 1.00856.73 O ATOM 24104 C3* A B1179 -897.110 -45.094 42.368 1.00856.73 C ATOM 24105 O3* A B1179 -897.331 -44.130 41.345 1.00856.73 O ATOM 24106 C2* A B1179 -897.155 -46.517 41.819 1.00856.73 C ATOM 24107 O2* A B1179 -896.540 -46.626 40.551 1.00856.73 O ATOM 24108 C1* A B1179 -896.326 -47.284 42.851 1.00856.73 C ATOM 24109 N9 A B1179 -897.148 -47.943 43.866 1.00856.73 N ATOM 24110 C8 A B1179 -897.529 -47.468 45.097 1.00856.73 C ATOM 24111 N7 A B1179 -898.287 -48.299 45.772 1.00856.73 N ATOM 24112 C5 A B1179 -898.412 -49.396 44.929 1.00856.73 C ATOM 24113 C6 A B1179 -899.095 -50.616 45.059 1.00856.73 C ATOM 24114 N6 A B1179 -899.816 -50.953 46.131 1.00856.73 N ATOM 24115 N1 A B1179 -899.016 -51.489 44.029 1.00856.73 N ATOM 24116 C2 A B1179 -898.300 -51.150 42.954 1.00856.73 C ATOM 24117 N3 A B1179 -897.616 -50.036 42.713 1.00856.73 N ATOM 24118 C4 A B1179 -897.713 -49.189 43.753 1.00856.73 C ATOM 24119 P A B1180 -898.834 -43.677 40.992 1.00856.73 P ATOM 24120 O1P A B1180 -898.743 -42.560 40.019 1.00856.73 O ATOM 24121 O2P A B1180 -899.576 -43.486 42.263 1.00856.73 O ATOM 24122 O5* A B1180 -899.452 -44.940 40.238 1.00856.73 O ATOM 24123 C5* A B1180 -898.921 -45.378 38.991 1.00856.73 C ATOM 24124 C4* A B1180 -899.421 -46.762 38.659 1.00856.73 C ATOM 24125 O4* A B1180 -899.083 -47.666 39.742 1.00856.73 O ATOM 24126 C3* A B1180 -900.921 -46.939 38.497 1.00856.73 C ATOM 24127 O3* A B1180 -901.349 -46.565 37.192 1.00856.73 O ATOM 24128 C2* A B1180 -901.110 -48.429 38.756 1.00856.73 C ATOM 24129 O2* A B1180 -900.834 -49.219 37.616 1.00856.73 O ATOM 24130 C1* A B1180 -900.058 -48.692 39.833 1.00856.73 C ATOM 24131 N9 A B1180 -900.651 -48.642 41.168 1.00856.73 N ATOM 24132 C8 A B1180 -900.869 -47.542 41.957 1.00856.73 C ATOM 24133 N7 A B1180 -901.465 -47.813 43.093 1.00856.73 N ATOM 24134 C5 A B1180 -901.646 -49.189 43.052 1.00856.73 C ATOM 24135 C6 A B1180 -902.228 -50.097 43.955 1.00856.73 C ATOM 24136 N6 A B1180 -902.772 -49.743 45.123 1.00856.73 N ATOM 24137 N1 A B1180 -902.238 -51.403 43.612 1.00856.73 N ATOM 24138 C2 A B1180 -901.703 -51.761 42.440 1.00856.73 C ATOM 24139 N3 A B1180 -901.134 -51.006 41.506 1.00856.73 N ATOM 24140 C4 A B1180 -901.137 -49.714 41.877 1.00856.73 C ATOM 24141 P C B1181 -902.634 -45.613 37.027 1.00856.73 P ATOM 24142 O1P C B1181 -902.366 -44.678 35.904 1.00856.73 O ATOM 24143 O2P C B1181 -902.983 -45.076 38.366 1.00856.73 O ATOM 24144 O5* C B1181 -903.797 -46.606 36.582 1.00856.73 O ATOM 24145 C5* C B1181 -904.357 -46.542 35.270 1.00856.73 C ATOM 24146 C4* C B1181 -905.844 -46.796 35.328 1.00856.73 C ATOM 24147 O4* C B1181 -906.068 -48.200 35.615 1.00856.73 O ATOM 24148 C3* C B1181 -906.641 -46.121 36.415 1.00856.73 C ATOM 24149 O3* C B1181 -906.945 -44.795 35.995 1.00856.73 O ATOM 24150 C2* C B1181 -907.890 -46.983 36.539 1.00856.73 C ATOM 24151 O2* C B1181 -908.888 -46.636 35.600 1.00856.73 O ATOM 24152 C1* C B1181 -907.339 -48.372 36.224 1.00856.73 C ATOM 24153 N1 C B1181 -907.148 -49.174 37.443 1.00856.73 N ATOM 24154 C2 C B1181 -908.192 -49.989 37.889 1.00856.73 C ATOM 24155 O2 C B1181 -909.240 -50.034 37.233 1.00856.73 O ATOM 24156 N3 C B1181 -908.029 -50.706 39.025 1.00856.73 N ATOM 24157 C4 C B1181 -906.879 -50.632 39.705 1.00856.73 C ATOM 24158 N4 C B1181 -906.767 -51.347 40.824 1.00856.73 N ATOM 24159 C5 C B1181 -905.800 -49.817 39.265 1.00856.73 C ATOM 24160 C6 C B1181 -905.973 -49.114 38.141 1.00856.73 C ATOM 24161 P U B1182 -907.742 -43.806 36.984 1.00856.73 P ATOM 24162 O1P U B1182 -907.677 -42.446 36.393 1.00856.73 O ATOM 24163 O2P U B1182 -907.236 -44.031 38.362 1.00856.73 O ATOM 24164 O5* U B1182 -909.258 -44.303 36.924 1.00856.73 O ATOM 24165 C5* U B1182 -910.291 -43.584 37.596 1.00856.73 C ATOM 24166 C4* U B1182 -911.541 -44.424 37.702 1.00856.73 C ATOM 24167 O4* U B1182 -911.229 -45.647 38.416 1.00856.73 O ATOM 24168 C3* U B1182 -912.727 -43.821 38.454 1.00856.73 C ATOM 24169 O3* U B1182 -913.549 -43.015 37.612 1.00856.73 O ATOM 24170 C2* U B1182 -913.476 -45.057 38.938 1.00856.73 C ATOM 24171 O2* U B1182 -914.344 -45.585 37.956 1.00856.73 O ATOM 24172 C1* U B1182 -912.333 -46.042 39.199 1.00856.73 C ATOM 24173 N1 U B1182 -911.905 -46.095 40.605 1.00856.73 N ATOM 24174 C2 U B1182 -912.394 -47.121 41.391 1.00856.73 C ATOM 24175 O2 U B1182 -913.177 -47.959 40.973 1.00856.73 O ATOM 24176 N3 U B1182 -911.938 -47.129 42.684 1.00856.73 N ATOM 24177 C4 U B1182 -911.063 -46.234 43.263 1.00856.73 C ATOM 24178 O4 U B1182 -910.727 -46.391 44.440 1.00856.73 O ATOM 24179 C5 U B1182 -910.610 -45.195 42.393 1.00856.73 C ATOM 24180 C6 U B1182 -911.038 -45.160 41.122 1.00856.73 C ATOM 24181 P C B1183 -914.623 -42.007 38.265 1.00856.73 P ATOM 24182 O1P C B1183 -915.404 -41.433 37.141 1.00856.73 O ATOM 24183 O2P C B1183 -913.916 -41.098 39.203 1.00856.73 O ATOM 24184 O5* C B1183 -915.613 -42.927 39.113 1.00856.73 O ATOM 24185 C5* C B1183 -916.177 -42.479 40.347 1.00856.73 C ATOM 24186 C4* C B1183 -916.137 -43.589 41.373 1.00856.73 C ATOM 24187 O4* C B1183 -914.777 -44.067 41.527 1.00856.73 O ATOM 24188 C3* C B1183 -916.575 -43.196 42.754 1.00856.73 C ATOM 24189 O3* C B1183 -917.984 -43.347 42.822 1.00856.73 O ATOM 24190 C2* C B1183 -915.847 -44.190 43.649 1.00856.73 C ATOM 24191 O2* C B1183 -916.532 -45.419 43.773 1.00856.73 O ATOM 24192 C1* C B1183 -914.539 -44.399 42.885 1.00856.73 C ATOM 24193 N1 C B1183 -913.483 -43.519 43.397 1.00856.73 N ATOM 24194 C2 C B1183 -912.938 -43.778 44.656 1.00856.73 C ATOM 24195 O2 C B1183 -913.336 -44.772 45.286 1.00856.73 O ATOM 24196 N3 C B1183 -911.992 -42.948 45.153 1.00856.73 N ATOM 24197 C4 C B1183 -911.591 -41.894 44.439 1.00856.73 C ATOM 24198 N4 C B1183 -910.670 -41.088 44.972 1.00856.73 N ATOM 24199 C5 C B1183 -912.119 -41.614 43.146 1.00856.73 C ATOM 24200 C6 C B1183 -913.051 -42.445 42.668 1.00856.73 C ATOM 24201 P G B1184 -918.864 -42.182 43.497 1.00856.73 P ATOM 24202 O1P G B1184 -920.296 -42.565 43.388 1.00856.73 O ATOM 24203 O2P G B1184 -918.409 -40.884 42.942 1.00856.73 O ATOM 24204 O5* G B1184 -918.447 -42.229 45.029 1.00856.73 O ATOM 24205 C5* G B1184 -919.314 -42.792 46.010 1.00856.73 C ATOM 24206 C4* G B1184 -918.909 -42.329 47.390 1.00856.73 C ATOM 24207 O4* G B1184 -917.594 -42.848 47.719 1.00856.73 O ATOM 24208 C3* G B1184 -918.782 -40.843 47.674 1.00856.73 C ATOM 24209 O3* G B1184 -920.055 -40.223 47.858 1.00856.73 O ATOM 24210 C2* G B1184 -917.905 -40.821 48.926 1.00856.73 C ATOM 24211 O2* G B1184 -918.641 -41.042 50.111 1.00856.73 O ATOM 24212 C1* G B1184 -916.968 -42.003 48.668 1.00856.73 C ATOM 24213 N9 G B1184 -915.681 -41.589 48.115 1.00856.73 N ATOM 24214 C8 G B1184 -915.387 -41.421 46.787 1.00856.73 C ATOM 24215 N7 G B1184 -914.158 -41.037 46.575 1.00856.73 N ATOM 24216 C5 G B1184 -913.602 -40.944 47.842 1.00856.73 C ATOM 24217 C6 G B1184 -912.293 -40.572 48.245 1.00856.73 C ATOM 24218 O6 G B1184 -911.329 -40.238 47.536 1.00856.73 O ATOM 24219 N1 G B1184 -912.150 -40.614 49.626 1.00856.73 N ATOM 24220 C2 G B1184 -913.137 -40.967 50.512 1.00856.73 C ATOM 24221 N2 G B1184 -912.790 -40.942 51.810 1.00856.73 N ATOM 24222 N3 G B1184 -914.367 -41.317 50.151 1.00856.73 N ATOM 24223 C4 G B1184 -914.526 -41.284 48.809 1.00856.73 C ATOM 24224 P C B1185 -920.215 -38.645 47.572 1.00856.73 P ATOM 24225 O1P C B1185 -921.363 -38.158 48.381 1.00856.73 O ATOM 24226 O2P C B1185 -920.218 -38.447 46.100 1.00856.73 O ATOM 24227 O5* C B1185 -918.880 -37.994 48.158 1.00856.73 O ATOM 24228 C5* C B1185 -918.522 -36.662 47.813 1.00856.73 C ATOM 24229 C4* C B1185 -917.761 -35.992 48.932 1.00856.73 C ATOM 24230 O4* C B1185 -916.499 -36.697 49.062 1.00856.73 O ATOM 24231 C3* C B1185 -917.340 -34.547 48.694 1.00856.73 C ATOM 24232 O3* C B1185 -918.346 -33.603 49.038 1.00856.73 O ATOM 24233 C2* C B1185 -916.116 -34.417 49.593 1.00856.73 C ATOM 24234 O2* C B1185 -916.458 -34.190 50.944 1.00856.73 O ATOM 24235 C1* C B1185 -915.478 -35.798 49.446 1.00856.73 C ATOM 24236 N1 C B1185 -914.450 -35.842 48.393 1.00856.73 N ATOM 24237 C2 C B1185 -913.257 -35.132 48.572 1.00856.73 C ATOM 24238 O2 C B1185 -913.094 -34.478 49.611 1.00856.73 O ATOM 24239 N3 C B1185 -912.314 -35.181 47.602 1.00856.73 N ATOM 24240 C4 C B1185 -912.529 -35.896 46.493 1.00856.73 C ATOM 24241 N4 C B1185 -911.573 -35.919 45.565 1.00856.73 N ATOM 24242 C5 C B1185 -913.734 -36.620 46.291 1.00856.73 C ATOM 24243 C6 C B1185 -914.656 -36.566 47.253 1.00856.73 C ATOM 24244 P G B1186 -918.351 -32.159 48.331 1.00856.73 P ATOM 24245 O1P G B1186 -919.574 -32.078 47.495 1.00856.73 O ATOM 24246 O2P G B1186 -917.021 -31.944 47.706 1.00856.73 O ATOM 24247 O5* G B1186 -918.510 -31.126 49.536 1.00856.73 O ATOM 24248 C5* G B1186 -918.161 -29.752 49.362 1.00856.73 C ATOM 24249 C4* G B1186 -919.042 -28.857 50.211 1.00856.73 C ATOM 24250 O4* G B1186 -920.404 -28.886 49.711 1.00856.73 O ATOM 24251 C3* G B1186 -919.141 -29.269 51.669 1.00856.73 C ATOM 24252 O3* G B1186 -918.083 -28.700 52.439 1.00856.73 O ATOM 24253 C2* G B1186 -920.495 -28.710 52.090 1.00856.73 C ATOM 24254 O2* G B1186 -920.425 -27.348 52.466 1.00856.73 O ATOM 24255 C1* G B1186 -921.309 -28.842 50.803 1.00856.73 C ATOM 24256 N9 G B1186 -922.136 -30.043 50.774 1.00856.73 N ATOM 24257 C8 G B1186 -921.953 -31.165 50.008 1.00856.73 C ATOM 24258 N7 G B1186 -922.862 -32.081 50.210 1.00856.73 N ATOM 24259 C5 G B1186 -923.702 -31.525 51.166 1.00856.73 C ATOM 24260 C6 G B1186 -924.867 -32.049 51.786 1.00856.73 C ATOM 24261 O6 G B1186 -925.410 -33.143 51.603 1.00856.73 O ATOM 24262 N1 G B1186 -925.408 -31.149 52.699 1.00856.73 N ATOM 24263 C2 G B1186 -924.894 -29.907 52.985 1.00856.73 C ATOM 24264 N2 G B1186 -925.557 -29.189 53.899 1.00856.73 N ATOM 24265 N3 G B1186 -923.806 -29.411 52.418 1.00856.73 N ATOM 24266 C4 G B1186 -923.265 -30.268 51.525 1.00856.73 C ATOM 24267 P A B1187 -916.721 -29.533 52.657 1.00856.73 P ATOM 24268 O1P A B1187 -915.605 -28.719 52.108 1.00856.73 O ATOM 24269 O2P A B1187 -916.948 -30.906 52.151 1.00856.73 O ATOM 24270 O5* A B1187 -916.549 -29.611 54.242 1.00856.73 O ATOM 24271 C5* A B1187 -915.855 -28.592 54.961 1.00856.73 C ATOM 24272 C4* A B1187 -915.686 -28.995 56.409 1.00856.73 C ATOM 24273 O4* A B1187 -916.989 -29.274 56.972 1.00856.73 O ATOM 24274 C3* A B1187 -914.887 -30.255 56.688 1.00856.73 C ATOM 24275 O3* A B1187 -913.491 -29.970 56.738 1.00856.73 O ATOM 24276 C2* A B1187 -915.415 -30.707 58.044 1.00856.73 C ATOM 24277 O2* A B1187 -914.772 -30.052 59.121 1.00856.73 O ATOM 24278 C1* A B1187 -916.876 -30.267 57.976 1.00856.73 C ATOM 24279 N9 A B1187 -917.788 -31.357 57.640 1.00856.73 N ATOM 24280 C8 A B1187 -917.767 -32.160 56.523 1.00856.73 C ATOM 24281 N7 A B1187 -918.722 -33.059 56.501 1.00856.73 N ATOM 24282 C5 A B1187 -919.418 -32.835 57.684 1.00856.73 C ATOM 24283 C6 A B1187 -920.542 -33.458 58.251 1.00856.73 C ATOM 24284 N6 A B1187 -921.193 -34.475 57.681 1.00856.73 N ATOM 24285 N1 A B1187 -920.982 -32.994 59.442 1.00856.73 N ATOM 24286 C2 A B1187 -920.328 -31.976 60.014 1.00856.73 C ATOM 24287 N3 A B1187 -919.262 -31.308 59.580 1.00856.73 N ATOM 24288 C4 A B1187 -918.850 -31.793 58.394 1.00856.73 C ATOM 24289 P A B1188 -912.467 -30.796 55.811 1.00856.73 P ATOM 24290 O1P A B1188 -911.805 -29.813 54.915 1.00856.73 O ATOM 24291 O2P A B1188 -913.188 -31.952 55.221 1.00856.73 O ATOM 24292 O5* A B1188 -911.364 -31.348 56.819 1.00856.73 O ATOM 24293 C5* A B1188 -910.264 -30.532 57.217 1.00856.73 C ATOM 24294 C4* A B1188 -909.447 -31.231 58.283 1.00856.73 C ATOM 24295 O4* A B1188 -910.304 -31.685 59.360 1.00856.73 O ATOM 24296 C3* A B1188 -908.631 -32.453 57.895 1.00856.73 C ATOM 24297 O3* A B1188 -907.395 -32.031 57.331 1.00856.73 O ATOM 24298 C2* A B1188 -908.428 -33.158 59.233 1.00856.73 C ATOM 24299 O2* A B1188 -907.340 -32.633 59.965 1.00856.73 O ATOM 24300 C1* A B1188 -909.735 -32.835 59.964 1.00856.73 C ATOM 24301 N9 A B1188 -910.712 -33.922 59.899 1.00856.73 N ATOM 24302 C8 A B1188 -911.261 -34.500 58.781 1.00856.73 C ATOM 24303 N7 A B1188 -912.114 -35.464 59.049 1.00856.73 N ATOM 24304 C5 A B1188 -912.122 -35.521 60.436 1.00856.73 C ATOM 24305 C6 A B1188 -912.821 -36.337 61.347 1.00856.73 C ATOM 24306 N6 A B1188 -913.680 -37.289 60.976 1.00856.73 N ATOM 24307 N1 A B1188 -912.604 -36.137 62.663 1.00856.73 N ATOM 24308 C2 A B1188 -911.739 -35.181 63.032 1.00856.73 C ATOM 24309 N3 A B1188 -911.025 -34.355 62.275 1.00856.73 N ATOM 24310 C4 A B1188 -911.265 -34.579 60.971 1.00856.73 C ATOM 24311 P G B1189 -906.314 -33.125 56.862 1.00856.73 P ATOM 24312 O1P G B1189 -905.814 -33.812 58.077 1.00856.73 O ATOM 24313 O2P G B1189 -905.352 -32.457 55.947 1.00856.73 O ATOM 24314 O5* G B1189 -907.155 -34.178 56.009 1.00856.73 O ATOM 24315 C5* G B1189 -906.538 -35.322 55.422 1.00856.73 C ATOM 24316 C4* G B1189 -907.566 -36.405 55.199 1.00856.73 C ATOM 24317 O4* G B1189 -908.471 -35.980 54.150 1.00856.73 O ATOM 24318 C3* G B1189 -907.088 -37.779 54.718 1.00856.73 C ATOM 24319 O3* G B1189 -906.553 -38.611 55.740 1.00856.73 O ATOM 24320 C2* G B1189 -908.349 -38.360 54.083 1.00856.73 C ATOM 24321 O2* G B1189 -909.223 -38.934 55.035 1.00856.73 O ATOM 24322 C1* G B1189 -908.998 -37.110 53.479 1.00856.73 C ATOM 24323 N9 G B1189 -908.726 -36.940 52.056 1.00856.73 N ATOM 24324 C8 G B1189 -907.537 -36.557 51.487 1.00856.73 C ATOM 24325 N7 G B1189 -907.595 -36.463 50.186 1.00856.73 N ATOM 24326 C5 G B1189 -908.904 -36.809 49.876 1.00856.73 C ATOM 24327 C6 G B1189 -909.559 -36.882 48.622 1.00856.73 C ATOM 24328 O6 G B1189 -909.103 -36.638 47.499 1.00856.73 O ATOM 24329 N1 G B1189 -910.884 -37.276 48.761 1.00856.73 N ATOM 24330 C2 G B1189 -911.503 -37.565 49.954 1.00856.73 C ATOM 24331 N2 G B1189 -912.793 -37.934 49.874 1.00856.73 N ATOM 24332 N3 G B1189 -910.903 -37.495 51.128 1.00856.73 N ATOM 24333 C4 G B1189 -909.615 -37.114 51.020 1.00856.73 C ATOM 24334 P C B1190 -905.730 -39.936 55.349 1.00856.73 P ATOM 24335 O1P C B1190 -905.159 -40.483 56.606 1.00856.73 O ATOM 24336 O2P C B1190 -904.827 -39.607 54.217 1.00856.73 O ATOM 24337 O5* C B1190 -906.846 -40.949 54.828 1.00856.73 O ATOM 24338 C5* C B1190 -907.842 -41.454 55.714 1.00856.73 C ATOM 24339 C4* C B1190 -908.797 -42.369 54.981 1.00856.73 C ATOM 24340 O4* C B1190 -909.502 -41.621 53.963 1.00856.73 O ATOM 24341 C3* C B1190 -908.244 -43.594 54.241 1.00856.73 C ATOM 24342 O3* C B1190 -908.032 -44.710 55.105 1.00856.73 O ATOM 24343 C2* C B1190 -909.348 -43.893 53.227 1.00856.73 C ATOM 24344 O2* C B1190 -910.376 -44.696 53.766 1.00856.73 O ATOM 24345 C1* C B1190 -909.909 -42.498 52.933 1.00856.73 C ATOM 24346 N1 C B1190 -909.551 -41.909 51.630 1.00856.73 N ATOM 24347 C2 C B1190 -909.787 -40.541 51.425 1.00856.73 C ATOM 24348 O2 C B1190 -910.317 -39.877 52.327 1.00856.73 O ATOM 24349 N3 C B1190 -909.434 -39.980 50.245 1.00856.73 N ATOM 24350 C4 C B1190 -908.871 -40.730 49.293 1.00856.73 C ATOM 24351 N4 C B1190 -908.526 -40.129 48.151 1.00856.73 N ATOM 24352 C5 C B1190 -908.638 -42.125 49.470 1.00856.73 C ATOM 24353 C6 C B1190 -908.992 -42.669 50.642 1.00856.73 C ATOM 24354 P G B1191 -907.025 -45.886 54.678 1.00856.73 P ATOM 24355 O1P G B1191 -906.744 -46.674 55.906 1.00856.73 O ATOM 24356 O2P G B1191 -905.897 -45.297 53.912 1.00856.73 O ATOM 24357 O5* G B1191 -907.883 -46.803 53.698 1.00856.73 O ATOM 24358 C5* G B1191 -907.241 -47.720 52.814 1.00856.73 C ATOM 24359 C4* G B1191 -908.230 -48.276 51.817 1.00856.73 C ATOM 24360 O4* G B1191 -908.924 -47.187 51.153 1.00856.73 O ATOM 24361 C3* G B1191 -907.690 -49.088 50.672 1.00856.73 C ATOM 24362 O3* G B1191 -907.457 -50.420 51.115 1.00856.73 O ATOM 24363 C2* G B1191 -908.795 -49.015 49.631 1.00856.73 C ATOM 24364 O2* G B1191 -909.817 -49.965 49.841 1.00856.73 O ATOM 24365 C1* G B1191 -909.340 -47.602 49.862 1.00856.73 C ATOM 24366 N9 G B1191 -908.791 -46.677 48.878 1.00856.73 N ATOM 24367 C8 G B1191 -907.546 -46.732 48.298 1.00856.73 C ATOM 24368 N7 G B1191 -907.354 -45.798 47.408 1.00856.73 N ATOM 24369 C5 G B1191 -908.537 -45.075 47.408 1.00856.73 C ATOM 24370 C6 G B1191 -908.923 -43.949 46.643 1.00856.73 C ATOM 24371 O6 G B1191 -908.279 -43.356 45.772 1.00856.73 O ATOM 24372 N1 G B1191 -910.209 -43.526 46.966 1.00856.73 N ATOM 24373 C2 G B1191 -911.020 -44.115 47.899 1.00856.73 C ATOM 24374 N2 G B1191 -912.227 -43.552 48.071 1.00856.73 N ATOM 24375 N3 G B1191 -910.679 -45.173 48.618 1.00856.73 N ATOM 24376 C4 G B1191 -909.433 -45.596 48.321 1.00856.73 C ATOM 24377 P A B1192 -906.616 -51.419 50.178 1.00856.73 P ATOM 24378 O1P A B1192 -905.473 -51.935 50.973 1.00856.73 O ATOM 24379 O2P A B1192 -906.359 -50.737 48.885 1.00856.73 O ATOM 24380 O5* A B1192 -907.623 -52.622 49.909 1.00856.73 O ATOM 24381 C5* A B1192 -908.327 -53.235 50.982 1.00856.73 C ATOM 24382 C4* A B1192 -909.744 -53.560 50.570 1.00856.73 C ATOM 24383 O4* A B1192 -910.454 -52.346 50.216 1.00856.73 O ATOM 24384 C3* A B1192 -909.860 -54.486 49.358 1.00856.73 C ATOM 24385 O3* A B1192 -909.844 -55.857 49.727 1.00856.73 O ATOM 24386 C2* A B1192 -911.179 -54.060 48.724 1.00856.73 C ATOM 24387 O2* A B1192 -912.299 -54.682 49.326 1.00856.73 O ATOM 24388 C1* A B1192 -911.201 -52.562 49.030 1.00856.73 C ATOM 24389 N9 A B1192 -910.601 -51.767 47.957 1.00856.73 N ATOM 24390 C8 A B1192 -909.290 -51.749 47.547 1.00856.73 C ATOM 24391 N7 A B1192 -909.061 -50.931 46.545 1.00856.73 N ATOM 24392 C5 A B1192 -910.301 -50.370 46.283 1.00856.73 C ATOM 24393 C6 A B1192 -910.733 -49.422 45.335 1.00856.73 C ATOM 24394 N6 A B1192 -909.929 -48.846 44.438 1.00856.73 N ATOM 24395 N1 A B1192 -912.043 -49.080 45.337 1.00856.73 N ATOM 24396 C2 A B1192 -912.849 -49.658 46.234 1.00856.73 C ATOM 24397 N3 A B1192 -912.566 -50.556 47.173 1.00856.73 N ATOM 24398 C4 A B1192 -911.259 -50.875 47.144 1.00856.73 C ATOM 24399 P G B1193 -909.347 -56.954 48.665 1.00856.73 P ATOM 24400 O1P G B1193 -910.107 -58.203 48.911 1.00856.73 O ATOM 24401 O2P G B1193 -907.862 -56.982 48.684 1.00856.73 O ATOM 24402 O5* G B1193 -909.811 -56.358 47.266 1.00856.73 O ATOM 24403 C5* G B1193 -911.039 -56.767 46.673 1.00856.73 C ATOM 24404 C4* G B1193 -910.937 -56.682 45.173 1.00856.73 C ATOM 24405 O4* G B1193 -911.128 -55.304 44.765 1.00856.73 O ATOM 24406 C3* G B1193 -909.601 -56.963 44.522 1.00856.73 C ATOM 24407 O3* G B1193 -909.400 -58.385 44.569 1.00856.73 O ATOM 24408 C2* G B1193 -909.642 -56.256 43.168 1.00856.73 C ATOM 24409 O2* G B1193 -910.178 -57.041 42.124 1.00856.73 O ATOM 24410 C1* G B1193 -910.621 -55.114 43.457 1.00856.73 C ATOM 24411 N9 G B1193 -910.011 -53.788 43.420 1.00856.73 N ATOM 24412 C8 G B1193 -909.180 -53.243 44.372 1.00856.73 C ATOM 24413 N7 G B1193 -908.797 -52.031 44.082 1.00856.73 N ATOM 24414 C5 G B1193 -909.406 -51.761 42.865 1.00856.73 C ATOM 24415 C6 G B1193 -909.363 -50.594 42.057 1.00856.73 C ATOM 24416 O6 G B1193 -908.760 -49.535 42.263 1.00856.73 O ATOM 24417 N1 G B1193 -910.124 -50.746 40.904 1.00856.73 N ATOM 24418 C2 G B1193 -910.840 -51.868 40.570 1.00856.73 C ATOM 24419 N2 G B1193 -911.510 -51.821 39.412 1.00856.73 N ATOM 24420 N3 G B1193 -910.888 -52.960 41.314 1.00856.73 N ATOM 24421 C4 G B1193 -910.155 -52.838 42.441 1.00856.73 C ATOM 24422 P U B1194 -908.037 -59.018 45.141 1.00856.73 P ATOM 24423 O1P U B1194 -908.130 -60.490 44.961 1.00856.73 O ATOM 24424 O2P U B1194 -907.825 -58.467 46.506 1.00856.73 O ATOM 24425 O5* U B1194 -906.859 -58.481 44.213 1.00856.73 O ATOM 24426 C5* U B1194 -906.709 -59.019 42.903 1.00856.73 C ATOM 24427 C4* U B1194 -905.546 -58.395 42.176 1.00856.73 C ATOM 24428 O4* U B1194 -905.846 -57.025 41.794 1.00856.73 O ATOM 24429 C3* U B1194 -904.261 -58.309 42.953 1.00856.73 C ATOM 24430 O3* U B1194 -903.565 -59.551 43.134 1.00856.73 O ATOM 24431 C2* U B1194 -903.512 -57.174 42.253 1.00856.73 C ATOM 24432 O2* U B1194 -902.809 -57.553 41.086 1.00856.73 O ATOM 24433 C1* U B1194 -904.659 -56.253 41.834 1.00856.73 C ATOM 24434 N1 U B1194 -904.844 -55.116 42.750 1.00856.73 N ATOM 24435 C2 U B1194 -904.459 -53.869 42.295 1.00856.73 C ATOM 24436 O2 U B1194 -903.999 -53.686 41.179 1.00856.73 O ATOM 24437 N3 U B1194 -904.627 -52.844 43.192 1.00856.73 N ATOM 24438 C4 U B1194 -905.133 -52.933 44.470 1.00856.73 C ATOM 24439 O4 U B1194 -905.202 -51.916 45.162 1.00856.73 O ATOM 24440 C5 U B1194 -905.522 -54.255 44.865 1.00856.73 C ATOM 24441 C6 U B1194 -905.367 -55.278 44.013 1.00856.73 C ATOM 24442 P U B1195 -902.833 -60.279 41.902 1.00856.73 P ATOM 24443 O1P U B1195 -903.592 -59.955 40.669 1.00856.73 O ATOM 24444 O2P U B1195 -902.634 -61.698 42.288 1.00856.73 O ATOM 24445 O5* U B1195 -901.392 -59.604 41.793 1.00856.73 O ATOM 24446 C5* U B1195 -900.559 -59.887 40.674 1.00856.73 C ATOM 24447 C4* U B1195 -899.398 -58.930 40.606 1.00856.73 C ATOM 24448 O4* U B1195 -899.873 -57.560 40.689 1.00856.73 O ATOM 24449 C3* U B1195 -898.384 -59.003 41.720 1.00856.73 C ATOM 24450 O3* U B1195 -897.473 -60.070 41.489 1.00856.73 O ATOM 24451 C2* U B1195 -897.696 -57.645 41.643 1.00856.73 C ATOM 24452 O2* U B1195 -896.687 -57.606 40.651 1.00856.73 O ATOM 24453 C1* U B1195 -898.855 -56.738 41.233 1.00856.73 C ATOM 24454 N1 U B1195 -899.398 -56.027 42.399 1.00856.73 N ATOM 24455 C2 U B1195 -899.048 -54.703 42.565 1.00856.73 C ATOM 24456 O2 U B1195 -898.339 -54.103 41.773 1.00856.73 O ATOM 24457 N3 U B1195 -899.556 -54.108 43.693 1.00856.73 N ATOM 24458 C4 U B1195 -900.369 -54.685 44.644 1.00856.73 C ATOM 24459 O4 U B1195 -900.736 -54.022 45.614 1.00856.73 O ATOM 24460 C5 U B1195 -900.697 -56.053 44.393 1.00856.73 C ATOM 24461 C6 U B1195 -900.213 -56.664 43.305 1.00856.73 C ATOM 24462 P G B1196 -896.610 -60.647 42.717 1.00856.73 P ATOM 24463 O1P G B1196 -895.974 -61.912 42.269 1.00856.73 O ATOM 24464 O2P G B1196 -897.474 -60.652 43.927 1.00856.73 O ATOM 24465 O5* G B1196 -895.468 -59.559 42.927 1.00856.73 O ATOM 24466 C5* G B1196 -894.312 -59.549 42.098 1.00856.73 C ATOM 24467 C4* G B1196 -893.502 -58.301 42.336 1.00856.73 C ATOM 24468 O4* G B1196 -894.314 -57.133 42.042 1.00856.73 O ATOM 24469 C3* G B1196 -892.984 -58.045 43.746 1.00856.73 C ATOM 24470 O3* G B1196 -891.800 -58.763 44.072 1.00856.73 O ATOM 24471 C2* G B1196 -892.752 -56.539 43.733 1.00856.73 C ATOM 24472 O2* G B1196 -891.526 -56.182 43.133 1.00856.73 O ATOM 24473 C1* G B1196 -893.916 -56.052 42.869 1.00856.73 C ATOM 24474 N9 G B1196 -895.055 -55.655 43.694 1.00856.73 N ATOM 24475 C8 G B1196 -896.010 -56.473 44.243 1.00856.73 C ATOM 24476 N7 G B1196 -896.897 -55.823 44.947 1.00856.73 N ATOM 24477 C5 G B1196 -896.502 -54.494 44.855 1.00856.73 C ATOM 24478 C6 G B1196 -897.074 -53.324 45.415 1.00856.73 C ATOM 24479 O6 G B1196 -898.081 -53.222 46.127 1.00856.73 O ATOM 24480 N1 G B1196 -896.350 -52.188 45.073 1.00856.73 N ATOM 24481 C2 G B1196 -895.220 -52.174 44.291 1.00856.73 C ATOM 24482 N2 G B1196 -894.659 -50.976 44.076 1.00856.73 N ATOM 24483 N3 G B1196 -894.679 -53.258 43.760 1.00856.73 N ATOM 24484 C4 G B1196 -895.367 -54.375 44.080 1.00856.73 C ATOM 24485 P U B1197 -891.454 -59.076 45.615 1.00856.73 P ATOM 24486 O1P U B1197 -890.082 -59.638 45.655 1.00856.73 O ATOM 24487 O2P U B1197 -892.581 -59.846 46.196 1.00856.73 O ATOM 24488 O5* U B1197 -891.421 -57.640 46.315 1.00856.73 O ATOM 24489 C5* U B1197 -890.385 -56.710 46.020 1.00856.73 C ATOM 24490 C4* U B1197 -890.553 -55.453 46.845 1.00856.73 C ATOM 24491 O4* U B1197 -891.799 -54.802 46.483 1.00856.73 O ATOM 24492 C3* U B1197 -890.656 -55.630 48.352 1.00856.73 C ATOM 24493 O3* U B1197 -889.367 -55.701 48.949 1.00856.73 O ATOM 24494 C2* U B1197 -891.391 -54.369 48.790 1.00856.73 C ATOM 24495 O2* U B1197 -890.523 -53.267 48.965 1.00856.73 O ATOM 24496 C1* U B1197 -892.315 -54.100 47.600 1.00856.73 C ATOM 24497 N1 U B1197 -893.708 -54.510 47.816 1.00856.73 N ATOM 24498 C2 U B1197 -894.562 -53.590 48.399 1.00856.73 C ATOM 24499 O2 U B1197 -894.202 -52.479 48.747 1.00856.73 O ATOM 24500 N3 U B1197 -895.854 -54.021 48.565 1.00856.73 N ATOM 24501 C4 U B1197 -896.371 -55.251 48.213 1.00856.73 C ATOM 24502 O4 U B1197 -897.567 -55.484 48.410 1.00856.73 O ATOM 24503 C5 U B1197 -895.427 -56.148 47.622 1.00856.73 C ATOM 24504 C6 U B1197 -894.160 -55.757 47.448 1.00856.73 C ATOM 24505 P C B1198 -890.198 -56.939 50.600 1.00855.43 P ATOM 24506 O1P C B1198 -888.776 -56.767 50.985 1.00855.43 O ATOM 24507 O2P C B1198 -890.674 -58.257 50.106 1.00855.43 O ATOM 24508 O5* C B1198 -891.107 -56.495 51.830 1.00855.43 O ATOM 24509 C5* C B1198 -891.032 -55.174 52.359 1.00855.43 C ATOM 24510 C4* C B1198 -892.306 -54.831 53.092 1.00855.43 C ATOM 24511 O4* C B1198 -893.416 -54.854 52.163 1.00855.43 O ATOM 24512 C3* C B1198 -892.693 -55.802 54.206 1.00855.43 C ATOM 24513 O3* C B1198 -892.091 -55.453 55.454 1.00855.43 O ATOM 24514 C2* C B1198 -894.212 -55.663 54.266 1.00855.43 C ATOM 24515 O2* C B1198 -894.630 -54.587 55.081 1.00855.43 O ATOM 24516 C1* C B1198 -894.567 -55.354 52.809 1.00855.43 C ATOM 24517 N1 C B1198 -895.095 -56.490 52.031 1.00855.43 N ATOM 24518 C2 C B1198 -896.457 -56.521 51.736 1.00855.43 C ATOM 24519 O2 C B1198 -897.181 -55.605 52.157 1.00855.43 O ATOM 24520 N3 C B1198 -896.954 -57.543 51.001 1.00855.43 N ATOM 24521 C4 C B1198 -896.141 -58.509 50.570 1.00855.43 C ATOM 24522 N4 C B1198 -896.671 -59.493 49.838 1.00855.43 N ATOM 24523 C5 C B1198 -894.746 -58.505 50.862 1.00855.43 C ATOM 24524 C6 C B1198 -894.270 -57.488 51.590 1.00855.43 C ATOM 24525 P U B1199 -891.567 -56.604 56.444 1.00855.43 P ATOM 24526 O1P U B1199 -891.523 -57.873 55.676 1.00855.43 O ATOM 24527 O2P U B1199 -892.357 -56.536 57.699 1.00855.43 O ATOM 24528 O5* U B1199 -890.071 -56.170 56.780 1.00855.43 O ATOM 24529 C5* U B1199 -889.226 -55.622 55.775 1.00855.43 C ATOM 24530 C4* U B1199 -888.843 -56.696 54.787 1.00855.43 C ATOM 24531 O4* U B1199 -887.912 -56.150 53.816 1.00855.43 O ATOM 24532 C3* U B1199 -888.108 -57.870 55.376 1.00855.43 C ATOM 24533 O3* U B1199 -889.062 -58.786 55.895 1.00855.43 O ATOM 24534 C2* U B1199 -887.348 -58.429 54.185 1.00855.43 C ATOM 24535 O2* U B1199 -888.144 -59.260 53.365 1.00855.43 O ATOM 24536 C1* U B1199 -886.984 -57.149 53.433 1.00855.43 C ATOM 24537 N1 U B1199 -885.645 -56.692 53.827 1.00855.43 N ATOM 24538 C2 U B1199 -884.558 -57.293 53.227 1.00855.43 C ATOM 24539 O2 U B1199 -884.665 -58.140 52.357 1.00855.43 O ATOM 24540 N3 U B1199 -883.338 -56.861 53.680 1.00855.43 N ATOM 24541 C4 U B1199 -883.104 -55.908 54.649 1.00855.43 C ATOM 24542 O4 U B1199 -881.950 -55.681 55.001 1.00855.43 O ATOM 24543 C5 U B1199 -884.282 -55.316 55.203 1.00855.43 C ATOM 24544 C6 U B1199 -885.482 -55.717 54.782 1.00855.43 C ATOM 24545 P G B1200 -888.630 -59.785 57.079 1.00855.43 P ATOM 24546 O1P G B1200 -887.157 -59.948 56.998 1.00855.43 O ATOM 24547 O2P G B1200 -889.501 -60.984 57.015 1.00855.43 O ATOM 24548 O5* G B1200 -888.965 -58.992 58.423 1.00855.43 O ATOM 24549 C5* G B1200 -888.286 -57.781 58.759 1.00855.43 C ATOM 24550 C4* G B1200 -887.306 -58.029 59.886 1.00855.43 C ATOM 24551 O4* G B1200 -886.400 -59.092 59.492 1.00855.43 O ATOM 24552 C3* G B1200 -886.405 -56.855 60.208 1.00855.43 C ATOM 24553 O3* G B1200 -887.021 -55.975 61.140 1.00855.43 O ATOM 24554 C2* G B1200 -885.168 -57.523 60.785 1.00855.43 C ATOM 24555 O2* G B1200 -885.314 -57.858 62.149 1.00855.43 O ATOM 24556 C1* G B1200 -885.087 -58.796 59.940 1.00855.43 C ATOM 24557 N9 G B1200 -884.249 -58.584 58.764 1.00855.43 N ATOM 24558 C8 G B1200 -884.679 -58.405 57.471 1.00855.43 C ATOM 24559 N7 G B1200 -883.701 -58.191 56.632 1.00855.43 N ATOM 24560 C5 G B1200 -882.558 -58.242 57.419 1.00855.43 C ATOM 24561 C6 G B1200 -881.195 -58.077 57.064 1.00855.43 C ATOM 24562 O6 G B1200 -880.709 -57.838 55.952 1.00855.43 O ATOM 24563 N1 G B1200 -880.361 -58.217 58.167 1.00855.43 N ATOM 24564 C2 G B1200 -880.781 -58.477 59.447 1.00855.43 C ATOM 24565 N2 G B1200 -879.818 -58.579 60.368 1.00855.43 N ATOM 24566 N3 G B1200 -882.050 -58.623 59.794 1.00855.43 N ATOM 24567 C4 G B1200 -882.877 -58.496 58.733 1.00855.43 C ATOM 24568 P G B1201 -887.155 -54.411 60.786 1.00855.43 P ATOM 24569 O1P G B1201 -888.481 -53.952 61.274 1.00855.43 O ATOM 24570 O2P G B1201 -886.798 -54.231 59.353 1.00855.43 O ATOM 24571 O5* G B1201 -886.031 -53.706 61.667 1.00855.43 O ATOM 24572 C5* G B1201 -885.680 -54.213 62.954 1.00855.43 C ATOM 24573 C4* G B1201 -884.175 -54.296 63.096 1.00855.43 C ATOM 24574 O4* G B1201 -883.634 -55.133 62.043 1.00855.43 O ATOM 24575 C3* G B1201 -883.437 -52.976 62.969 1.00855.43 C ATOM 24576 O3* G B1201 -883.356 -52.337 64.232 1.00855.43 O ATOM 24577 C2* G B1201 -882.060 -53.395 62.473 1.00855.43 C ATOM 24578 O2* G B1201 -881.213 -53.780 63.536 1.00855.43 O ATOM 24579 C1* G B1201 -882.400 -54.599 61.591 1.00855.43 C ATOM 24580 N9 G B1201 -882.555 -54.212 60.195 1.00855.43 N ATOM 24581 C8 G B1201 -883.728 -53.903 59.547 1.00855.43 C ATOM 24582 N7 G B1201 -883.549 -53.563 58.299 1.00855.43 N ATOM 24583 C5 G B1201 -882.177 -53.659 58.111 1.00855.43 C ATOM 24584 C6 G B1201 -881.386 -53.405 56.959 1.00855.43 C ATOM 24585 O6 G B1201 -881.750 -53.026 55.841 1.00855.43 O ATOM 24586 N1 G B1201 -880.039 -53.634 57.205 1.00855.43 N ATOM 24587 C2 G B1201 -879.514 -54.050 58.402 1.00855.43 C ATOM 24588 N2 G B1201 -878.189 -54.219 58.435 1.00855.43 N ATOM 24589 N3 G B1201 -880.236 -54.279 59.488 1.00855.43 N ATOM 24590 C4 G B1201 -881.551 -54.068 59.270 1.00855.43 C ATOM 24591 P U B1202 -882.631 -50.909 64.354 1.00855.43 P ATOM 24592 O1P U B1202 -883.290 -50.222 65.487 1.00855.43 O ATOM 24593 O2P U B1202 -882.629 -50.269 63.014 1.00855.43 O ATOM 24594 O5* U B1202 -881.119 -51.259 64.735 1.00855.43 O ATOM 24595 C5* U B1202 -880.785 -51.710 66.044 1.00855.43 C ATOM 24596 C4* U B1202 -879.297 -51.557 66.306 1.00855.43 C ATOM 24597 O4* U B1202 -878.542 -52.456 65.460 1.00855.43 O ATOM 24598 C3* U B1202 -878.743 -50.167 66.036 1.00855.43 C ATOM 24599 O3* U B1202 -878.852 -49.368 67.211 1.00855.43 O ATOM 24600 C2* U B1202 -877.283 -50.438 65.693 1.00855.43 C ATOM 24601 O2* U B1202 -876.456 -50.517 66.841 1.00855.43 O ATOM 24602 C1* U B1202 -877.355 -51.816 65.026 1.00855.43 C ATOM 24603 N1 U B1202 -877.362 -51.793 63.560 1.00855.43 N ATOM 24604 C2 U B1202 -876.149 -51.673 62.903 1.00855.43 C ATOM 24605 O2 U B1202 -875.085 -51.529 63.480 1.00855.43 O ATOM 24606 N3 U B1202 -876.231 -51.717 61.535 1.00855.43 N ATOM 24607 C4 U B1202 -877.369 -51.848 60.773 1.00855.43 C ATOM 24608 O4 U B1202 -877.266 -51.932 59.551 1.00855.43 O ATOM 24609 C5 U B1202 -878.582 -51.930 61.524 1.00855.43 C ATOM 24610 C6 U B1202 -878.537 -51.902 62.857 1.00855.43 C ATOM 24611 P A B1203 -879.302 -47.832 67.095 1.00855.43 P ATOM 24612 O1P A B1203 -879.684 -47.372 68.453 1.00855.43 O ATOM 24613 O2P A B1203 -880.272 -47.704 65.976 1.00855.43 O ATOM 24614 O5* A B1203 -877.964 -47.067 66.695 1.00855.43 O ATOM 24615 C5* A B1203 -877.289 -46.243 67.637 1.00855.43 C ATOM 24616 C4* A B1203 -876.886 -44.945 66.987 1.00855.43 C ATOM 24617 O4* A B1203 -875.896 -45.212 65.959 1.00855.43 O ATOM 24618 C3* A B1203 -877.996 -44.196 66.267 1.00855.43 C ATOM 24619 O3* A B1203 -878.783 -43.400 67.142 1.00855.43 O ATOM 24620 C2* A B1203 -877.232 -43.381 65.236 1.00855.43 C ATOM 24621 O2* A B1203 -876.684 -42.197 65.780 1.00855.43 O ATOM 24622 C1* A B1203 -876.105 -44.341 64.857 1.00855.43 C ATOM 24623 N9 A B1203 -876.445 -45.163 63.694 1.00855.43 N ATOM 24624 C8 A B1203 -877.245 -46.278 63.659 1.00855.43 C ATOM 24625 N7 A B1203 -877.383 -46.794 62.463 1.00855.43 N ATOM 24626 C5 A B1203 -876.617 -45.967 61.653 1.00855.43 C ATOM 24627 C6 A B1203 -876.355 -45.979 60.274 1.00855.43 C ATOM 24628 N6 A B1203 -876.862 -46.888 59.431 1.00855.43 N ATOM 24629 N1 A B1203 -875.547 -45.013 59.780 1.00855.43 N ATOM 24630 C2 A B1203 -875.049 -44.101 60.629 1.00855.43 C ATOM 24631 N3 A B1203 -875.225 -43.986 61.943 1.00855.43 N ATOM 24632 C4 A B1203 -876.028 -44.962 62.399 1.00855.43 C ATOM 24633 P G B1204 -880.381 -43.547 67.123 1.00855.43 P ATOM 24634 O1P G B1204 -880.920 -42.771 68.268 1.00855.43 O ATOM 24635 O2P G B1204 -880.714 -44.989 66.994 1.00855.43 O ATOM 24636 O5* G B1204 -880.814 -42.808 65.783 1.00855.43 O ATOM 24637 C5* G B1204 -880.235 -41.560 65.424 1.00855.43 C ATOM 24638 C4* G B1204 -880.466 -41.267 63.960 1.00855.43 C ATOM 24639 O4* G B1204 -879.939 -42.339 63.137 1.00855.43 O ATOM 24640 C3* G B1204 -881.908 -41.089 63.514 1.00855.43 C ATOM 24641 O3* G B1204 -882.345 -39.759 63.760 1.00855.43 O ATOM 24642 C2* G B1204 -881.841 -41.419 62.026 1.00855.43 C ATOM 24643 O2* G B1204 -881.439 -40.315 61.242 1.00855.43 O ATOM 24644 C1* G B1204 -880.752 -42.496 61.988 1.00855.43 C ATOM 24645 N9 G B1204 -881.282 -43.856 61.971 1.00855.43 N ATOM 24646 C8 G B1204 -881.246 -44.775 62.992 1.00855.43 C ATOM 24647 N7 G B1204 -881.810 -45.911 62.681 1.00855.43 N ATOM 24648 C5 G B1204 -882.248 -45.730 61.372 1.00855.43 C ATOM 24649 C6 G B1204 -882.933 -46.617 60.502 1.00855.43 C ATOM 24650 O6 G B1204 -883.307 -47.777 60.717 1.00855.43 O ATOM 24651 N1 G B1204 -883.182 -46.029 59.267 1.00855.43 N ATOM 24652 C2 G B1204 -882.817 -44.755 58.911 1.00855.43 C ATOM 24653 N2 G B1204 -883.148 -44.371 57.668 1.00855.43 N ATOM 24654 N3 G B1204 -882.178 -43.917 59.714 1.00855.43 N ATOM 24655 C4 G B1204 -881.928 -44.467 60.922 1.00855.43 C ATOM 24656 P G B1205 -883.919 -39.432 63.795 1.00855.43 P ATOM 24657 O1P G B1205 -884.074 -38.020 64.229 1.00855.43 O ATOM 24658 O2P G B1205 -884.606 -40.510 64.549 1.00855.43 O ATOM 24659 O5* G B1205 -884.359 -39.535 62.269 1.00855.43 O ATOM 24660 C5* G B1205 -883.945 -38.555 61.320 1.00855.43 C ATOM 24661 C4* G B1205 -884.660 -38.770 60.008 1.00855.43 C ATOM 24662 O4* G B1205 -884.309 -40.065 59.464 1.00855.43 O ATOM 24663 C3* G B1205 -886.175 -38.769 60.047 1.00855.43 C ATOM 24664 O3* G B1205 -886.657 -37.431 60.008 1.00855.43 O ATOM 24665 C2* G B1205 -886.549 -39.576 58.809 1.00855.43 C ATOM 24666 O2* G B1205 -886.546 -38.794 57.631 1.00855.43 O ATOM 24667 C1* G B1205 -885.413 -40.600 58.753 1.00855.43 C ATOM 24668 N9 G B1205 -885.762 -41.878 59.367 1.00855.43 N ATOM 24669 C8 G B1205 -885.197 -42.432 60.489 1.00855.43 C ATOM 24670 N7 G B1205 -885.718 -43.585 60.811 1.00855.43 N ATOM 24671 C5 G B1205 -886.692 -43.805 59.844 1.00855.43 C ATOM 24672 C6 G B1205 -887.594 -44.888 59.676 1.00855.43 C ATOM 24673 O6 G B1205 -887.714 -45.907 60.371 1.00855.43 O ATOM 24674 N1 G B1205 -888.411 -44.706 58.566 1.00855.43 N ATOM 24675 C2 G B1205 -888.373 -43.622 57.728 1.00855.43 C ATOM 24676 N2 G B1205 -889.246 -43.632 56.714 1.00855.43 N ATOM 24677 N3 G B1205 -887.538 -42.602 57.874 1.00855.43 N ATOM 24678 C4 G B1205 -886.734 -42.759 58.944 1.00855.43 C ATOM 24679 P G B1206 -887.930 -37.020 60.897 1.00855.43 P ATOM 24680 O1P G B1206 -888.045 -35.540 60.847 1.00855.43 O ATOM 24681 O2P G B1206 -887.827 -37.702 62.209 1.00855.43 O ATOM 24682 O5* G B1206 -889.159 -37.637 60.097 1.00855.43 O ATOM 24683 C5* G B1206 -889.743 -36.931 59.011 1.00855.43 C ATOM 24684 C4* G B1206 -890.907 -37.701 58.441 1.00855.43 C ATOM 24685 O4* G B1206 -890.450 -38.952 57.864 1.00855.43 O ATOM 24686 C3* G B1206 -891.968 -38.095 59.468 1.00855.43 C ATOM 24687 O3* G B1206 -892.930 -37.085 59.733 1.00855.43 O ATOM 24688 C2* G B1206 -892.590 -39.330 58.837 1.00855.43 C ATOM 24689 O2* G B1206 -893.562 -39.017 57.861 1.00855.43 O ATOM 24690 C1* G B1206 -891.379 -39.983 58.173 1.00855.43 C ATOM 24691 N9 G B1206 -890.744 -40.927 59.084 1.00855.43 N ATOM 24692 C8 G B1206 -889.562 -40.769 59.770 1.00855.43 C ATOM 24693 N7 G B1206 -889.286 -41.780 60.550 1.00855.43 N ATOM 24694 C5 G B1206 -890.342 -42.661 60.358 1.00855.43 C ATOM 24695 C6 G B1206 -890.604 -43.930 60.941 1.00855.43 C ATOM 24696 O6 G B1206 -889.934 -44.552 61.773 1.00855.43 O ATOM 24697 N1 G B1206 -891.790 -44.478 60.460 1.00855.43 N ATOM 24698 C2 G B1206 -892.617 -43.885 59.541 1.00855.43 C ATOM 24699 N2 G B1206 -893.712 -44.579 59.197 1.00855.43 N ATOM 24700 N3 G B1206 -892.388 -42.705 58.996 1.00855.43 N ATOM 24701 C4 G B1206 -891.243 -42.154 59.448 1.00855.43 C ATOM 24702 P G B1207 -893.453 -36.873 61.239 1.00855.43 P ATOM 24703 O1P G B1207 -894.331 -35.680 61.253 1.00855.43 O ATOM 24704 O2P G B1207 -892.278 -36.929 62.146 1.00855.43 O ATOM 24705 O5* G B1207 -894.349 -38.161 61.511 1.00855.43 O ATOM 24706 C5* G B1207 -895.458 -38.467 60.671 1.00855.43 C ATOM 24707 C4* G B1207 -895.976 -39.853 60.964 1.00855.43 C ATOM 24708 O4* G B1207 -894.933 -40.832 60.724 1.00855.43 O ATOM 24709 C3* G B1207 -896.426 -40.120 62.392 1.00855.43 C ATOM 24710 O3* G B1207 -897.750 -39.658 62.627 1.00855.43 O ATOM 24711 C2* G B1207 -896.305 -41.637 62.496 1.00855.43 C ATOM 24712 O2* G B1207 -897.423 -42.310 61.952 1.00855.43 O ATOM 24713 C1* G B1207 -895.071 -41.909 61.635 1.00855.43 C ATOM 24714 N9 G B1207 -893.854 -41.987 62.433 1.00855.43 N ATOM 24715 C8 G B1207 -892.742 -41.186 62.329 1.00855.43 C ATOM 24716 N7 G B1207 -891.815 -41.481 63.199 1.00855.43 N ATOM 24717 C5 G B1207 -892.343 -42.547 63.918 1.00855.43 C ATOM 24718 C6 G B1207 -891.796 -43.285 64.995 1.00855.43 C ATOM 24719 O6 G B1207 -890.700 -43.143 65.550 1.00855.43 O ATOM 24720 N1 G B1207 -892.667 -44.279 65.427 1.00855.43 N ATOM 24721 C2 G B1207 -893.908 -44.529 64.892 1.00855.43 C ATOM 24722 N2 G B1207 -894.600 -45.535 65.451 1.00855.43 N ATOM 24723 N3 G B1207 -894.430 -43.843 63.888 1.00855.43 N ATOM 24724 C4 G B1207 -893.598 -42.873 63.453 1.00855.43 C ATOM 24725 P A B1208 -898.210 -39.300 64.126 1.00855.43 P ATOM 24726 O1P A B1208 -899.349 -38.355 64.032 1.00855.43 O ATOM 24727 O2P A B1208 -897.000 -38.917 64.899 1.00855.43 O ATOM 24728 O5* A B1208 -898.752 -40.678 64.707 1.00855.43 O ATOM 24729 C5* A B1208 -899.637 -41.499 63.945 1.00855.43 C ATOM 24730 C4* A B1208 -900.074 -42.691 64.761 1.00855.43 C ATOM 24731 O4* A B1208 -898.903 -43.470 65.115 1.00855.43 O ATOM 24732 C3* A B1208 -900.758 -42.437 66.097 1.00855.43 C ATOM 24733 O3* A B1208 -902.149 -42.151 65.948 1.00855.43 O ATOM 24734 C2* A B1208 -900.508 -43.737 66.853 1.00855.43 C ATOM 24735 O2* A B1208 -901.438 -44.747 66.519 1.00855.43 O ATOM 24736 C1* A B1208 -899.120 -44.129 66.350 1.00855.43 C ATOM 24737 N9 A B1208 -898.049 -43.730 67.262 1.00855.43 N ATOM 24738 C8 A B1208 -897.316 -42.568 67.229 1.00855.43 C ATOM 24739 N7 A B1208 -896.416 -42.485 68.178 1.00855.43 N ATOM 24740 C5 A B1208 -896.564 -43.671 68.883 1.00855.43 C ATOM 24741 C6 A B1208 -895.903 -44.192 70.008 1.00855.43 C ATOM 24742 N6 A B1208 -894.916 -43.558 70.646 1.00855.43 N ATOM 24743 N1 A B1208 -896.292 -45.400 70.462 1.00855.43 N ATOM 24744 C2 A B1208 -897.283 -46.036 69.821 1.00855.43 C ATOM 24745 N3 A B1208 -897.979 -45.654 68.756 1.00855.43 N ATOM 24746 C4 A B1208 -897.569 -44.447 68.332 1.00855.43 C ATOM 24747 P G B1209 -902.929 -41.365 67.115 1.00855.43 P ATOM 24748 O1P G B1209 -904.239 -42.036 67.302 1.00855.43 O ATOM 24749 O2P G B1209 -902.887 -39.909 66.822 1.00855.43 O ATOM 24750 O5* G B1209 -902.047 -41.650 68.408 1.00855.43 O ATOM 24751 C5* G B1209 -902.637 -42.040 69.642 1.00855.43 C ATOM 24752 C4* G B1209 -902.107 -43.392 70.052 1.00855.43 C ATOM 24753 O4* G B1209 -900.671 -43.409 69.859 1.00855.43 O ATOM 24754 C3* G B1209 -902.303 -43.829 71.494 1.00855.43 C ATOM 24755 O3* G B1209 -903.600 -44.379 71.705 1.00855.43 O ATOM 24756 C2* G B1209 -901.191 -44.854 71.681 1.00855.43 C ATOM 24757 O2* G B1209 -901.543 -46.131 71.187 1.00855.43 O ATOM 24758 C1* G B1209 -900.073 -44.263 70.816 1.00855.43 C ATOM 24759 N9 G B1209 -899.122 -43.459 71.578 1.00855.43 N ATOM 24760 C8 G B1209 -898.819 -42.134 71.385 1.00855.43 C ATOM 24761 N7 G B1209 -897.932 -41.686 72.228 1.00855.43 N ATOM 24762 C5 G B1209 -897.631 -42.776 73.029 1.00855.43 C ATOM 24763 C6 G B1209 -896.731 -42.900 74.120 1.00855.43 C ATOM 24764 O6 G B1209 -895.995 -42.035 74.620 1.00855.43 O ATOM 24765 N1 G B1209 -896.738 -44.188 74.641 1.00855.43 N ATOM 24766 C2 G B1209 -897.504 -45.228 74.172 1.00855.43 C ATOM 24767 N2 G B1209 -897.367 -46.399 74.808 1.00855.43 N ATOM 24768 N3 G B1209 -898.342 -45.129 73.155 1.00855.43 N ATOM 24769 C4 G B1209 -898.355 -43.886 72.636 1.00855.43 C ATOM 24770 P C B1210 -904.336 -44.153 73.118 1.00855.43 P ATOM 24771 O1P C B1210 -905.712 -44.698 72.995 1.00855.43 O ATOM 24772 O2P C B1210 -904.139 -42.739 73.526 1.00855.43 O ATOM 24773 O5* C B1210 -903.523 -45.082 74.125 1.00855.43 O ATOM 24774 C5* C B1210 -903.921 -46.429 74.360 1.00855.43 C ATOM 24775 C4* C B1210 -903.311 -46.935 75.648 1.00855.43 C ATOM 24776 O4* C B1210 -901.865 -46.893 75.546 1.00855.43 O ATOM 24777 C3* C B1210 -903.608 -46.172 76.925 1.00855.43 C ATOM 24778 O3* C B1210 -904.873 -46.519 77.471 1.00855.43 O ATOM 24779 C2* C B1210 -902.451 -46.575 77.830 1.00855.43 C ATOM 24780 O2* C B1210 -902.663 -47.822 78.464 1.00855.43 O ATOM 24781 C1* C B1210 -901.302 -46.697 76.831 1.00855.43 C ATOM 24782 N1 C B1210 -900.468 -45.486 76.780 1.00855.43 N ATOM 24783 C2 C B1210 -899.389 -45.369 77.661 1.00855.43 C ATOM 24784 O2 C B1210 -899.161 -46.294 78.453 1.00855.43 O ATOM 24785 N3 C B1210 -898.621 -44.256 77.625 1.00855.43 N ATOM 24786 C4 C B1210 -898.899 -43.283 76.758 1.00855.43 C ATOM 24787 N4 C B1210 -898.114 -42.203 76.759 1.00855.43 N ATOM 24788 C5 C B1210 -899.992 -43.373 75.848 1.00855.43 C ATOM 24789 C6 C B1210 -900.742 -44.483 75.893 1.00855.43 C ATOM 24790 P G B1211 -905.780 -45.379 78.153 1.00855.43 P ATOM 24791 O1P G B1211 -906.950 -46.043 78.780 1.00855.43 O ATOM 24792 O2P G B1211 -905.996 -44.301 77.151 1.00855.43 O ATOM 24793 O5* G B1211 -904.855 -44.797 79.315 1.00855.43 O ATOM 24794 C5* G B1211 -904.431 -45.622 80.395 1.00855.43 C ATOM 24795 C4* G B1211 -903.415 -44.892 81.236 1.00855.43 C ATOM 24796 O4* G B1211 -902.342 -44.407 80.389 1.00855.43 O ATOM 24797 C3* G B1211 -903.860 -43.657 82.008 1.00855.43 C ATOM 24798 O3* G B1211 -904.520 -44.010 83.220 1.00855.43 O ATOM 24799 C2* G B1211 -902.551 -42.909 82.233 1.00855.43 C ATOM 24800 O2* G B1211 -901.833 -43.387 83.352 1.00855.43 O ATOM 24801 C1* G B1211 -901.780 -43.237 80.951 1.00855.43 C ATOM 24802 N9 G B1211 -901.844 -42.184 79.941 1.00855.43 N ATOM 24803 C8 G B1211 -902.947 -41.806 79.215 1.00855.43 C ATOM 24804 N7 G B1211 -902.702 -40.839 78.373 1.00855.43 N ATOM 24805 C5 G B1211 -901.355 -40.560 78.556 1.00855.43 C ATOM 24806 C6 G B1211 -900.521 -39.605 77.919 1.00855.43 C ATOM 24807 O6 G B1211 -900.818 -38.790 77.037 1.00855.43 O ATOM 24808 N1 G B1211 -899.221 -39.657 78.406 1.00855.43 N ATOM 24809 C2 G B1211 -898.774 -40.517 79.380 1.00855.43 C ATOM 24810 N2 G B1211 -897.480 -40.411 79.714 1.00855.43 N ATOM 24811 N3 G B1211 -899.542 -41.413 79.979 1.00855.43 N ATOM 24812 C4 G B1211 -900.809 -41.379 79.523 1.00855.43 C ATOM 24813 P U B1212 -905.347 -42.898 84.028 1.00855.43 P ATOM 24814 O1P U B1212 -906.144 -43.609 85.061 1.00855.43 O ATOM 24815 O2P U B1212 -906.038 -42.018 83.050 1.00855.43 O ATOM 24816 O5* U B1212 -904.224 -42.048 84.768 1.00855.43 O ATOM 24817 C5* U B1212 -903.554 -42.579 85.906 1.00855.43 C ATOM 24818 C4* U B1212 -902.429 -41.664 86.327 1.00855.43 C ATOM 24819 O4* U B1212 -901.429 -41.587 85.280 1.00855.43 O ATOM 24820 C3* U B1212 -902.752 -40.208 86.615 1.00855.43 C ATOM 24821 O3* U B1212 -903.296 -40.050 87.923 1.00855.43 O ATOM 24822 C2* U B1212 -901.401 -39.519 86.473 1.00855.43 C ATOM 24823 O2* U B1212 -900.635 -39.580 87.658 1.00855.43 O ATOM 24824 C1* U B1212 -900.723 -40.364 85.390 1.00855.43 C ATOM 24825 N1 U B1212 -900.660 -39.720 84.072 1.00855.43 N ATOM 24826 C2 U B1212 -899.422 -39.270 83.650 1.00855.43 C ATOM 24827 O2 U B1212 -898.414 -39.387 84.322 1.00855.43 O ATOM 24828 N3 U B1212 -899.405 -38.680 82.409 1.00855.43 N ATOM 24829 C4 U B1212 -900.474 -38.496 81.563 1.00855.43 C ATOM 24830 O4 U B1212 -900.285 -37.977 80.458 1.00855.43 O ATOM 24831 C5 U B1212 -901.727 -38.976 82.071 1.00855.43 C ATOM 24832 C6 U B1212 -901.777 -39.559 83.280 1.00855.43 C ATOM 24833 P U B1213 -904.287 -38.821 88.224 1.00855.43 P ATOM 24834 O1P U B1213 -904.877 -39.049 89.568 1.00855.43 O ATOM 24835 O2P U B1213 -905.178 -38.635 87.052 1.00855.43 O ATOM 24836 O5* U B1213 -903.313 -37.566 88.317 1.00855.43 O ATOM 24837 C5* U B1213 -902.532 -37.337 89.485 1.00855.43 C ATOM 24838 C4* U B1213 -901.486 -36.282 89.221 1.00855.43 C ATOM 24839 O4* U B1213 -900.671 -36.670 88.085 1.00855.43 O ATOM 24840 C3* U B1213 -901.976 -34.888 88.871 1.00855.43 C ATOM 24841 O3* U B1213 -902.322 -34.160 90.041 1.00855.43 O ATOM 24842 C2* U B1213 -900.784 -34.290 88.134 1.00855.43 C ATOM 24843 O2* U B1213 -899.807 -33.773 89.014 1.00855.43 O ATOM 24844 C1* U B1213 -900.220 -35.511 87.407 1.00855.43 C ATOM 24845 N1 U B1213 -900.660 -35.589 86.004 1.00855.43 N ATOM 24846 C2 U B1213 -899.794 -35.117 85.036 1.00855.43 C ATOM 24847 O2 U B1213 -898.697 -34.659 85.295 1.00855.43 O ATOM 24848 N3 U B1213 -900.262 -35.204 83.751 1.00855.43 N ATOM 24849 C4 U B1213 -901.479 -35.709 83.337 1.00855.43 C ATOM 24850 O4 U B1213 -901.753 -35.727 82.136 1.00855.43 O ATOM 24851 C5 U B1213 -902.316 -36.183 84.400 1.00855.43 C ATOM 24852 C6 U B1213 -901.887 -36.108 85.667 1.00855.43 C ATOM 24853 P C B1214 -903.397 -32.968 89.945 1.00855.43 P ATOM 24854 O1P C B1214 -903.411 -32.267 91.253 1.00855.43 O ATOM 24855 O2P C B1214 -904.660 -33.529 89.398 1.00855.43 O ATOM 24856 O5* C B1214 -902.779 -31.986 88.856 1.00855.43 O ATOM 24857 C5* C B1214 -901.909 -30.930 89.250 1.00855.43 C ATOM 24858 C4* C B1214 -902.011 -29.777 88.281 1.00855.43 C ATOM 24859 O4* C B1214 -901.309 -30.113 87.057 1.00855.43 O ATOM 24860 C3* C B1214 -903.399 -29.364 87.804 1.00855.43 C ATOM 24861 O3* C B1214 -904.064 -28.519 88.735 1.00855.43 O ATOM 24862 C2* C B1214 -903.102 -28.645 86.491 1.00855.43 C ATOM 24863 O2* C B1214 -902.730 -27.296 86.688 1.00855.43 O ATOM 24864 C1* C B1214 -901.892 -29.425 85.967 1.00855.43 C ATOM 24865 N1 C B1214 -902.213 -30.397 84.911 1.00855.43 N ATOM 24866 C2 C B1214 -902.079 -30.003 83.577 1.00855.43 C ATOM 24867 O2 C B1214 -901.707 -28.848 83.330 1.00855.43 O ATOM 24868 N3 C B1214 -902.358 -30.887 82.594 1.00855.43 N ATOM 24869 C4 C B1214 -902.759 -32.123 82.903 1.00855.43 C ATOM 24870 N4 C B1214 -903.021 -32.961 81.897 1.00855.43 N ATOM 24871 C5 C B1214 -902.910 -32.550 84.253 1.00855.43 C ATOM 24872 C6 C B1214 -902.629 -31.662 85.219 1.00855.43 C ATOM 24873 P A B1215 -905.664 -28.368 88.671 1.00855.43 P ATOM 24874 O1P A B1215 -906.067 -27.455 89.772 1.00855.43 O ATOM 24875 O2P A B1215 -906.261 -29.724 88.588 1.00855.43 O ATOM 24876 O5* A B1215 -905.924 -27.624 87.288 1.00855.43 O ATOM 24877 C5* A B1215 -905.514 -26.275 87.100 1.00855.43 C ATOM 24878 C4* A B1215 -905.727 -25.861 85.668 1.00855.43 C ATOM 24879 O4* A B1215 -904.900 -26.675 84.796 1.00855.43 O ATOM 24880 C3* A B1215 -907.117 -26.024 85.072 1.00855.43 C ATOM 24881 O3* A B1215 -908.013 -24.999 85.467 1.00855.43 O ATOM 24882 C2* A B1215 -906.835 -26.024 83.576 1.00855.43 C ATOM 24883 O2* A B1215 -906.678 -24.717 83.056 1.00855.43 O ATOM 24884 C1* A B1215 -905.500 -26.773 83.513 1.00855.43 C ATOM 24885 N9 A B1215 -905.696 -28.188 83.198 1.00855.43 N ATOM 24886 C8 A B1215 -905.352 -29.274 83.966 1.00855.43 C ATOM 24887 N7 A B1215 -905.685 -30.426 83.434 1.00855.43 N ATOM 24888 C5 A B1215 -906.280 -30.081 82.227 1.00855.43 C ATOM 24889 C6 A B1215 -906.855 -30.854 81.183 1.00855.43 C ATOM 24890 N6 A B1215 -906.932 -32.191 81.183 1.00855.43 N ATOM 24891 N1 A B1215 -907.358 -30.193 80.118 1.00855.43 N ATOM 24892 C2 A B1215 -907.288 -28.852 80.109 1.00855.43 C ATOM 24893 N3 A B1215 -906.779 -28.019 81.021 1.00855.43 N ATOM 24894 C4 A B1215 -906.287 -28.704 82.066 1.00855.43 C ATOM 24895 P G B1216 -909.593 -25.287 85.425 1.00855.43 P ATOM 24896 O1P G B1216 -910.293 -24.089 85.958 1.00855.43 O ATOM 24897 O2P G B1216 -909.838 -26.612 86.043 1.00855.43 O ATOM 24898 O5* G B1216 -909.909 -25.401 83.871 1.00855.43 O ATOM 24899 C5* G B1216 -909.761 -24.275 83.014 1.00855.43 C ATOM 24900 C4* G B1216 -910.647 -24.419 81.803 1.00855.43 C ATOM 24901 O4* G B1216 -910.077 -25.391 80.884 1.00855.43 O ATOM 24902 C3* G B1216 -912.007 -25.031 82.035 1.00855.43 C ATOM 24903 O3* G B1216 -912.872 -24.026 82.542 1.00855.43 O ATOM 24904 C2* G B1216 -912.442 -25.560 80.675 1.00855.43 C ATOM 24905 O2* G B1216 -913.119 -24.590 79.900 1.00855.43 O ATOM 24906 C1* G B1216 -911.095 -25.896 80.033 1.00855.43 C ATOM 24907 N9 G B1216 -910.918 -27.339 79.921 1.00855.43 N ATOM 24908 C8 G B1216 -911.011 -28.264 80.934 1.00855.43 C ATOM 24909 N7 G B1216 -910.847 -29.493 80.526 1.00855.43 N ATOM 24910 C5 G B1216 -910.622 -29.371 79.160 1.00855.43 C ATOM 24911 C6 G B1216 -910.382 -30.364 78.178 1.00855.43 C ATOM 24912 O6 G B1216 -910.320 -31.593 78.319 1.00855.43 O ATOM 24913 N1 G B1216 -910.203 -29.801 76.917 1.00855.43 N ATOM 24914 C2 G B1216 -910.253 -28.458 76.637 1.00855.43 C ATOM 24915 N2 G B1216 -910.050 -28.107 75.362 1.00855.43 N ATOM 24916 N3 G B1216 -910.482 -27.522 77.544 1.00855.43 N ATOM 24917 C4 G B1216 -910.656 -28.047 78.773 1.00855.43 C ATOM 24918 P U B1217 -913.912 -24.406 83.709 1.00855.43 P ATOM 24919 O1P U B1217 -914.234 -23.168 84.454 1.00855.43 O ATOM 24920 O2P U B1217 -913.381 -25.584 84.438 1.00855.43 O ATOM 24921 O5* U B1217 -915.212 -24.862 82.911 1.00855.43 O ATOM 24922 C5* U B1217 -915.718 -24.069 81.846 1.00855.43 C ATOM 24923 C4* U B1217 -916.461 -24.922 80.855 1.00855.43 C ATOM 24924 O4* U B1217 -915.522 -25.739 80.111 1.00855.43 O ATOM 24925 C3* U B1217 -917.404 -25.922 81.488 1.00855.43 C ATOM 24926 O3* U B1217 -918.655 -25.332 81.802 1.00855.43 O ATOM 24927 C2* U B1217 -917.521 -26.997 80.419 1.00855.43 C ATOM 24928 O2* U B1217 -918.463 -26.679 79.414 1.00855.43 O ATOM 24929 C1* U B1217 -916.111 -26.993 79.826 1.00855.43 C ATOM 24930 N1 U B1217 -915.273 -28.051 80.410 1.00855.43 N ATOM 24931 C2 U B1217 -915.001 -29.135 79.615 1.00855.43 C ATOM 24932 O2 U B1217 -915.384 -29.216 78.460 1.00855.43 O ATOM 24933 N3 U B1217 -914.263 -30.126 80.214 1.00855.43 N ATOM 24934 C4 U B1217 -913.779 -30.137 81.500 1.00855.43 C ATOM 24935 O4 U B1217 -913.224 -31.155 81.918 1.00855.43 O ATOM 24936 C5 U B1217 -914.079 -28.958 82.262 1.00855.43 C ATOM 24937 C6 U B1217 -914.801 -27.978 81.703 1.00855.43 C ATOM 24938 P C B1218 -918.951 -24.886 83.314 1.00855.43 P ATOM 24939 O1P C B1218 -920.402 -25.069 83.568 1.00855.43 O ATOM 24940 O2P C B1218 -918.329 -23.556 83.534 1.00855.43 O ATOM 24941 O5* C B1218 -918.150 -25.958 84.178 1.00855.43 O ATOM 24942 C5* C B1218 -918.781 -26.634 85.259 1.00855.43 C ATOM 24943 C4* C B1218 -919.269 -27.987 84.813 1.00855.43 C ATOM 24944 O4* C B1218 -918.172 -28.760 84.258 1.00855.43 O ATOM 24945 C3* C B1218 -919.873 -28.904 85.857 1.00855.43 C ATOM 24946 O3* C B1218 -921.223 -28.528 86.090 1.00855.43 O ATOM 24947 C2* C B1218 -919.737 -30.280 85.211 1.00855.43 C ATOM 24948 O2* C B1218 -920.780 -30.556 84.298 1.00855.43 O ATOM 24949 C1* C B1218 -918.413 -30.146 84.458 1.00855.43 C ATOM 24950 N1 C B1218 -917.283 -30.705 85.214 1.00855.43 N ATOM 24951 C2 C B1218 -917.234 -32.081 85.446 1.00855.43 C ATOM 24952 O2 C B1218 -918.141 -32.800 85.005 1.00855.43 O ATOM 24953 N3 C B1218 -916.199 -32.598 86.148 1.00855.43 N ATOM 24954 C4 C B1218 -915.239 -31.792 86.606 1.00855.43 C ATOM 24955 N4 C B1218 -914.234 -32.342 87.292 1.00855.43 N ATOM 24956 C5 C B1218 -915.262 -30.385 86.384 1.00855.43 C ATOM 24957 C6 C B1218 -916.294 -29.890 85.690 1.00855.43 C ATOM 24958 P C B1219 -922.135 -29.427 87.059 1.00855.43 P ATOM 24959 O1P C B1219 -922.829 -28.519 88.005 1.00855.43 O ATOM 24960 O2P C B1219 -921.300 -30.537 87.586 1.00855.43 O ATOM 24961 O5* C B1219 -923.219 -30.050 86.075 1.00855.43 O ATOM 24962 C5* C B1219 -924.386 -29.316 85.723 1.00855.43 C ATOM 24963 C4* C B1219 -925.267 -30.147 84.823 1.00855.43 C ATOM 24964 O4* C B1219 -924.691 -30.186 83.490 1.00855.43 O ATOM 24965 C3* C B1219 -925.472 -31.623 85.090 1.00855.43 C ATOM 24966 O3* C B1219 -926.375 -31.863 86.160 1.00855.43 O ATOM 24967 C2* C B1219 -925.984 -32.159 83.763 1.00855.43 C ATOM 24968 O2* C B1219 -927.377 -31.969 83.598 1.00855.43 O ATOM 24969 C1* C B1219 -925.214 -31.291 82.770 1.00855.43 C ATOM 24970 N1 C B1219 -924.082 -32.037 82.202 1.00855.43 N ATOM 24971 C2 C B1219 -924.198 -32.567 80.913 1.00855.43 C ATOM 24972 O2 C B1219 -925.240 -32.363 80.274 1.00855.43 O ATOM 24973 N3 C B1219 -923.174 -33.289 80.398 1.00855.43 N ATOM 24974 C4 C B1219 -922.069 -33.484 81.121 1.00855.43 C ATOM 24975 N4 C B1219 -921.089 -34.214 80.581 1.00855.43 N ATOM 24976 C5 C B1219 -921.917 -32.942 82.431 1.00855.43 C ATOM 24977 C6 C B1219 -922.937 -32.230 82.926 1.00855.43 C ATOM 24978 P G B1220 -926.216 -33.205 87.022 1.00855.43 P ATOM 24979 O1P G B1220 -927.577 -33.721 87.316 1.00855.43 O ATOM 24980 O2P G B1220 -925.275 -32.934 88.139 1.00855.43 O ATOM 24981 O5* G B1220 -925.505 -34.199 85.998 1.00855.43 O ATOM 24982 C5* G B1220 -924.908 -35.415 86.437 1.00855.43 C ATOM 24983 C4* G B1220 -923.680 -35.707 85.607 1.00855.43 C ATOM 24984 O4* G B1220 -922.808 -34.547 85.583 1.00855.43 O ATOM 24985 C3* G B1220 -922.832 -36.814 86.160 1.00855.43 C ATOM 24986 O3* G B1220 -923.326 -38.064 85.702 1.00855.43 O ATOM 24987 C2* G B1220 -921.445 -36.498 85.614 1.00855.43 C ATOM 24988 O2* G B1220 -921.260 -36.974 84.296 1.00855.43 O ATOM 24989 C1* G B1220 -921.455 -34.967 85.610 1.00855.43 C ATOM 24990 N9 G B1220 -920.814 -34.430 86.808 1.00855.43 N ATOM 24991 C8 G B1220 -921.379 -33.639 87.776 1.00855.43 C ATOM 24992 N7 G B1220 -920.551 -33.345 88.746 1.00855.43 N ATOM 24993 C5 G B1220 -919.367 -33.981 88.390 1.00855.43 C ATOM 24994 C6 G B1220 -918.107 -34.032 89.055 1.00855.43 C ATOM 24995 O6 G B1220 -917.773 -33.513 90.131 1.00855.43 O ATOM 24996 N1 G B1220 -917.184 -34.783 88.337 1.00855.43 N ATOM 24997 C2 G B1220 -917.436 -35.410 87.141 1.00855.43 C ATOM 24998 N2 G B1220 -916.414 -36.088 86.600 1.00855.43 N ATOM 24999 N3 G B1220 -918.598 -35.374 86.517 1.00855.43 N ATOM 25000 C4 G B1220 -919.512 -34.646 87.193 1.00855.43 C ATOM 25001 P C B1221 -924.367 -38.882 86.611 1.00855.43 P ATOM 25002 O1P C B1221 -925.559 -39.182 85.777 1.00855.43 O ATOM 25003 O2P C B1221 -924.535 -38.147 87.893 1.00855.43 O ATOM 25004 O5* C B1221 -923.613 -40.249 86.920 1.00855.43 O ATOM 25005 C5* C B1221 -923.079 -41.046 85.867 1.00855.43 C ATOM 25006 C4* C B1221 -921.663 -41.445 86.191 1.00855.43 C ATOM 25007 O4* C B1221 -920.828 -40.258 86.183 1.00855.43 O ATOM 25008 C3* C B1221 -921.487 -42.005 87.578 1.00855.43 C ATOM 25009 O3* C B1221 -921.780 -43.399 87.587 1.00855.43 O ATOM 25010 C2* C B1221 -920.030 -41.698 87.896 1.00855.43 C ATOM 25011 O2* C B1221 -919.142 -42.648 87.349 1.00855.43 O ATOM 25012 C1* C B1221 -919.844 -40.348 87.200 1.00855.43 C ATOM 25013 N1 C B1221 -920.046 -39.209 88.111 1.00855.43 N ATOM 25014 C2 C B1221 -918.936 -38.577 88.668 1.00855.43 C ATOM 25015 O2 C B1221 -917.801 -38.991 88.387 1.00855.43 O ATOM 25016 N3 C B1221 -919.127 -37.528 89.505 1.00855.43 N ATOM 25017 C4 C B1221 -920.364 -37.112 89.782 1.00855.43 C ATOM 25018 N4 C B1221 -920.509 -36.074 90.604 1.00855.43 N ATOM 25019 C5 C B1221 -921.513 -37.746 89.227 1.00855.43 C ATOM 25020 C6 C B1221 -921.310 -38.779 88.405 1.00855.43 C ATOM 25021 P G B1222 -922.899 -43.961 88.597 1.00855.43 P ATOM 25022 O1P G B1222 -923.111 -45.396 88.283 1.00855.43 O ATOM 25023 O2P G B1222 -924.052 -43.026 88.576 1.00855.43 O ATOM 25024 O5* G B1222 -922.214 -43.860 90.030 1.00855.43 O ATOM 25025 C5* G B1222 -921.600 -44.995 90.636 1.00855.43 C ATOM 25026 C4* G B1222 -921.244 -44.687 92.068 1.00855.43 C ATOM 25027 O4* G B1222 -920.221 -43.653 92.089 1.00855.43 O ATOM 25028 C3* G B1222 -922.306 -44.096 92.950 1.00855.43 C ATOM 25029 O3* G B1222 -923.178 -45.127 93.395 1.00855.43 O ATOM 25030 C2* G B1222 -921.507 -43.450 94.066 1.00855.43 C ATOM 25031 O2* G B1222 -921.090 -44.374 95.052 1.00855.43 O ATOM 25032 C1* G B1222 -920.304 -42.915 93.295 1.00855.43 C ATOM 25033 N9 G B1222 -920.544 -41.522 92.932 1.00855.43 N ATOM 25034 C8 G B1222 -920.886 -41.045 91.693 1.00855.43 C ATOM 25035 N7 G B1222 -921.094 -39.755 91.677 1.00855.43 N ATOM 25036 C5 G B1222 -920.862 -39.356 92.986 1.00855.43 C ATOM 25037 C6 G B1222 -920.938 -38.073 93.579 1.00855.43 C ATOM 25038 O6 G B1222 -921.237 -36.996 93.050 1.00855.43 O ATOM 25039 N1 G B1222 -920.622 -38.116 94.933 1.00855.43 N ATOM 25040 C2 G B1222 -920.278 -39.250 95.628 1.00855.43 C ATOM 25041 N2 G B1222 -920.008 -39.086 96.932 1.00855.43 N ATOM 25042 N3 G B1222 -920.209 -40.455 95.087 1.00855.43 N ATOM 25043 C4 G B1222 -920.510 -40.435 93.771 1.00855.43 C ATOM 25044 P G B1223 -924.667 -44.738 93.860 1.00855.43 P ATOM 25045 O1P G B1223 -925.603 -45.624 93.122 1.00855.43 O ATOM 25046 O2P G B1223 -924.815 -43.265 93.750 1.00855.43 O ATOM 25047 O5* G B1223 -924.720 -45.135 95.401 1.00855.43 O ATOM 25048 C5* G B1223 -924.835 -46.492 95.799 1.00855.43 C ATOM 25049 C4* G B1223 -924.862 -46.584 97.302 1.00855.43 C ATOM 25050 O4* G B1223 -923.590 -46.097 97.812 1.00855.43 O ATOM 25051 C3* G B1223 -925.897 -45.756 98.025 1.00855.43 C ATOM 25052 O3* G B1223 -927.241 -46.252 97.970 1.00855.43 O ATOM 25053 C2* G B1223 -925.267 -45.527 99.399 1.00855.43 C ATOM 25054 O2* G B1223 -925.402 -46.604 100.300 1.00855.43 O ATOM 25055 C1* G B1223 -923.788 -45.397 99.030 1.00855.43 C ATOM 25056 N9 G B1223 -923.391 -44.009 98.805 1.00855.43 N ATOM 25057 C8 G B1223 -923.623 -43.275 97.667 1.00855.43 C ATOM 25058 N7 G B1223 -923.155 -42.059 97.734 1.00855.43 N ATOM 25059 C5 G B1223 -922.575 -41.984 98.995 1.00855.43 C ATOM 25060 C6 G B1223 -921.905 -40.910 99.630 1.00855.43 C ATOM 25061 O6 G B1223 -921.676 -39.780 99.193 1.00855.43 O ATOM 25062 N1 G B1223 -921.474 -41.259 100.900 1.00855.43 N ATOM 25063 C2 G B1223 -921.657 -42.480 101.487 1.00855.43 C ATOM 25064 N2 G B1223 -921.138 -42.607 102.714 1.00855.43 N ATOM 25065 N3 G B1223 -922.286 -43.496 100.912 1.00855.43 N ATOM 25066 C4 G B1223 -922.718 -43.179 99.671 1.00855.43 C ATOM 25067 P A B1224 -927.638 -47.619 98.719 1.00855.43 P ATOM 25068 O1P A B1224 -928.855 -48.123 98.033 1.00855.43 O ATOM 25069 O2P A B1224 -927.667 -47.412 100.189 1.00855.43 O ATOM 25070 O5* A B1224 -926.441 -48.592 98.335 1.00855.43 O ATOM 25071 C5* A B1224 -926.530 -49.992 98.545 1.00855.43 C ATOM 25072 C4* A B1224 -926.280 -50.722 97.249 1.00855.43 C ATOM 25073 O4* A B1224 -927.403 -50.534 96.354 1.00855.43 O ATOM 25074 C3* A B1224 -925.068 -50.320 96.421 1.00855.43 C ATOM 25075 O3* A B1224 -923.877 -50.940 96.894 1.00855.43 O ATOM 25076 C2* A B1224 -925.436 -50.789 95.017 1.00855.43 C ATOM 25077 O2* A B1224 -925.118 -52.148 94.796 1.00855.43 O ATOM 25078 C1* A B1224 -926.959 -50.618 95.012 1.00855.43 C ATOM 25079 N9 A B1224 -927.449 -49.445 94.293 1.00855.43 N ATOM 25080 C8 A B1224 -927.675 -48.182 94.784 1.00855.43 C ATOM 25081 N7 A B1224 -928.145 -47.346 93.889 1.00855.43 N ATOM 25082 C5 A B1224 -928.232 -48.107 92.733 1.00855.43 C ATOM 25083 C6 A B1224 -928.662 -47.803 91.429 1.00855.43 C ATOM 25084 N6 A B1224 -929.112 -46.604 91.058 1.00855.43 N ATOM 25085 N1 A B1224 -928.619 -48.790 90.509 1.00855.43 N ATOM 25086 C2 A B1224 -928.173 -49.997 90.882 1.00855.43 C ATOM 25087 N3 A B1224 -927.744 -50.405 92.075 1.00855.43 N ATOM 25088 C4 A B1224 -927.800 -49.399 92.967 1.00855.43 C ATOM 25089 P G B1225 -922.471 -50.594 96.202 1.00855.43 P ATOM 25090 O1P G B1225 -922.433 -51.285 94.888 1.00855.43 O ATOM 25091 O2P G B1225 -921.393 -50.843 97.192 1.00855.43 O ATOM 25092 O5* G B1225 -922.553 -49.027 95.939 1.00855.43 O ATOM 25093 C5* G B1225 -921.755 -48.417 94.933 1.00855.43 C ATOM 25094 C4* G B1225 -920.829 -47.406 95.554 1.00855.43 C ATOM 25095 O4* G B1225 -921.494 -46.720 96.641 1.00855.43 O ATOM 25096 C3* G B1225 -919.550 -48.000 96.144 1.00855.43 C ATOM 25097 O3* G B1225 -918.543 -48.037 95.148 1.00855.43 O ATOM 25098 C2* G B1225 -919.201 -47.016 97.256 1.00855.43 C ATOM 25099 O2* G B1225 -918.459 -45.907 96.792 1.00855.43 O ATOM 25100 C1* G B1225 -920.583 -46.546 97.705 1.00855.43 C ATOM 25101 N9 G B1225 -921.084 -47.239 98.887 1.00855.43 N ATOM 25102 C8 G B1225 -921.855 -48.375 98.956 1.00855.43 C ATOM 25103 N7 G B1225 -922.129 -48.731 100.180 1.00855.43 N ATOM 25104 C5 G B1225 -921.506 -47.767 100.961 1.00855.43 C ATOM 25105 C6 G B1225 -921.451 -47.614 102.369 1.00855.43 C ATOM 25106 O6 G B1225 -921.957 -48.327 103.247 1.00855.43 O ATOM 25107 N1 G B1225 -920.699 -46.493 102.728 1.00855.43 N ATOM 25108 C2 G B1225 -920.083 -45.633 101.840 1.00855.43 C ATOM 25109 N2 G B1225 -919.389 -44.613 102.354 1.00855.43 N ATOM 25110 N3 G B1225 -920.140 -45.764 100.533 1.00855.43 N ATOM 25111 C4 G B1225 -920.861 -46.841 100.169 1.00855.43 C ATOM 25112 P A B1226 -917.952 -49.446 94.665 1.00855.43 P ATOM 25113 O1P A B1226 -918.982 -50.081 93.802 1.00855.43 O ATOM 25114 O2P A B1226 -917.435 -50.174 95.852 1.00855.43 O ATOM 25115 O5* A B1226 -916.721 -49.028 93.749 1.00855.43 O ATOM 25116 C5* A B1226 -916.888 -48.848 92.346 1.00855.43 C ATOM 25117 C4* A B1226 -916.733 -47.393 91.983 1.00855.43 C ATOM 25118 O4* A B1226 -917.395 -46.554 92.961 1.00855.43 O ATOM 25119 C3* A B1226 -915.333 -46.806 91.846 1.00855.43 C ATOM 25120 O3* A B1226 -914.804 -47.109 90.562 1.00855.43 O ATOM 25121 C2* A B1226 -915.577 -45.315 92.040 1.00855.43 C ATOM 25122 O2* A B1226 -916.002 -44.673 90.853 1.00855.43 O ATOM 25123 C1* A B1226 -916.721 -45.308 93.058 1.00855.43 C ATOM 25124 N9 A B1226 -916.270 -45.136 94.438 1.00855.43 N ATOM 25125 C8 A B1226 -915.952 -46.112 95.345 1.00855.43 C ATOM 25126 N7 A B1226 -915.598 -45.646 96.518 1.00855.43 N ATOM 25127 C5 A B1226 -915.686 -44.270 96.372 1.00855.43 C ATOM 25128 C6 A B1226 -915.452 -43.208 97.263 1.00855.43 C ATOM 25129 N6 A B1226 -915.072 -43.381 98.534 1.00855.43 N ATOM 25130 N1 A B1226 -915.623 -41.952 96.799 1.00855.43 N ATOM 25131 C2 A B1226 -916.015 -41.786 95.530 1.00855.43 C ATOM 25132 N3 A B1226 -916.277 -42.703 94.602 1.00855.43 N ATOM 25133 C4 A B1226 -916.092 -43.940 95.094 1.00855.43 C ATOM 25134 P A B1227 -913.278 -47.592 90.430 1.00855.43 P ATOM 25135 O1P A B1227 -913.051 -47.985 89.019 1.00855.43 O ATOM 25136 O2P A B1227 -912.998 -48.564 91.517 1.00855.43 O ATOM 25137 O5* A B1227 -912.442 -46.268 90.719 1.00855.43 O ATOM 25138 C5* A B1227 -911.206 -46.327 91.424 1.00855.43 C ATOM 25139 C4* A B1227 -910.892 -44.981 92.032 1.00855.43 C ATOM 25140 O4* A B1227 -912.003 -44.544 92.858 1.00855.43 O ATOM 25141 C3* A B1227 -909.694 -44.966 92.957 1.00855.43 C ATOM 25142 O3* A B1227 -908.494 -44.807 92.213 1.00855.43 O ATOM 25143 C2* A B1227 -909.989 -43.788 93.875 1.00855.43 C ATOM 25144 O2* A B1227 -909.620 -42.548 93.305 1.00855.43 O ATOM 25145 C1* A B1227 -911.510 -43.874 94.005 1.00855.43 C ATOM 25146 N9 A B1227 -911.906 -44.645 95.183 1.00855.43 N ATOM 25147 C8 A B1227 -912.214 -45.983 95.245 1.00855.43 C ATOM 25148 N7 A B1227 -912.508 -46.403 96.451 1.00855.43 N ATOM 25149 C5 A B1227 -912.388 -45.264 97.237 1.00855.43 C ATOM 25150 C6 A B1227 -912.564 -45.046 98.615 1.00855.43 C ATOM 25151 N6 A B1227 -912.907 -46.003 99.480 1.00855.43 N ATOM 25152 N1 A B1227 -912.367 -43.795 99.081 1.00855.43 N ATOM 25153 C2 A B1227 -912.019 -42.836 98.213 1.00855.43 C ATOM 25154 N3 A B1227 -911.822 -42.916 96.899 1.00855.43 N ATOM 25155 C4 A B1227 -912.026 -44.176 96.468 1.00855.43 C ATOM 25156 P G B1228 -907.211 -45.693 92.600 1.00855.43 P ATOM 25157 O1P G B1228 -906.000 -44.891 92.296 1.00855.43 O ATOM 25158 O2P G B1228 -907.372 -47.036 91.985 1.00855.43 O ATOM 25159 O5* G B1228 -907.319 -45.853 94.182 1.00855.43 O ATOM 25160 C5* G B1228 -906.217 -45.540 95.025 1.00855.43 C ATOM 25161 C4* G B1228 -905.837 -46.737 95.868 1.00855.43 C ATOM 25162 O4* G B1228 -906.862 -46.983 96.869 1.00855.43 O ATOM 25163 C3* G B1228 -905.688 -48.068 95.160 1.00855.43 C ATOM 25164 O3* G B1228 -904.412 -48.188 94.546 1.00855.43 O ATOM 25165 C2* G B1228 -905.875 -49.071 96.290 1.00855.43 C ATOM 25166 O2* G B1228 -904.693 -49.280 97.037 1.00855.43 O ATOM 25167 C1* G B1228 -906.920 -48.370 97.156 1.00855.43 C ATOM 25168 N9 G B1228 -908.268 -48.837 96.856 1.00855.43 N ATOM 25169 C8 G B1228 -909.064 -48.441 95.810 1.00855.43 C ATOM 25170 N7 G B1228 -910.221 -49.043 95.791 1.00855.43 N ATOM 25171 C5 G B1228 -910.186 -49.888 96.891 1.00855.43 C ATOM 25172 C6 G B1228 -911.158 -50.794 97.379 1.00855.43 C ATOM 25173 O6 G B1228 -912.282 -51.030 96.923 1.00855.43 O ATOM 25174 N1 G B1228 -910.713 -51.459 98.516 1.00855.43 N ATOM 25175 C2 G B1228 -909.489 -51.271 99.113 1.00855.43 C ATOM 25176 N2 G B1228 -909.242 -52.005 100.210 1.00855.43 N ATOM 25177 N3 G B1228 -908.575 -50.424 98.670 1.00855.43 N ATOM 25178 C4 G B1228 -908.989 -49.774 97.561 1.00855.43 C ATOM 25179 P C B1229 -904.269 -49.048 93.195 1.00855.43 P ATOM 25180 O1P C B1229 -902.888 -48.855 92.692 1.00855.43 O ATOM 25181 O2P C B1229 -905.422 -48.732 92.315 1.00855.43 O ATOM 25182 O5* C B1229 -904.415 -50.559 93.681 1.00855.43 O ATOM 25183 C5* C B1229 -903.487 -51.122 94.600 1.00855.43 C ATOM 25184 C4* C B1229 -904.118 -52.269 95.354 1.00855.43 C ATOM 25185 O4* C B1229 -905.447 -51.902 95.807 1.00855.43 O ATOM 25186 C3* C B1229 -904.316 -53.556 94.578 1.00855.43 C ATOM 25187 O3* C B1229 -903.130 -54.338 94.586 1.00855.43 O ATOM 25188 C2* C B1229 -905.454 -54.238 95.329 1.00855.43 C ATOM 25189 O2* C B1229 -905.002 -54.966 96.455 1.00855.43 O ATOM 25190 C1* C B1229 -906.289 -53.043 95.791 1.00855.43 C ATOM 25191 N1 C B1229 -907.427 -52.779 94.896 1.00855.43 N ATOM 25192 C2 C B1229 -908.723 -52.996 95.378 1.00855.43 C ATOM 25193 O2 C B1229 -908.870 -53.383 96.546 1.00855.43 O ATOM 25194 N3 C B1229 -909.779 -52.776 94.563 1.00855.43 N ATOM 25195 C4 C B1229 -909.578 -52.356 93.312 1.00855.43 C ATOM 25196 N4 C B1229 -910.650 -52.159 92.539 1.00855.43 N ATOM 25197 C5 C B1229 -908.269 -52.119 92.797 1.00855.43 C ATOM 25198 C6 C B1229 -907.233 -52.340 93.617 1.00855.43 C ATOM 25199 P C B1230 -903.006 -55.595 93.593 1.00855.43 P ATOM 25200 O1P C B1230 -901.675 -56.210 93.827 1.00855.43 O ATOM 25201 O2P C B1230 -903.379 -55.150 92.229 1.00855.43 O ATOM 25202 O5* C B1230 -904.122 -56.601 94.118 1.00855.43 O ATOM 25203 C5* C B1230 -903.809 -57.583 95.102 1.00855.43 C ATOM 25204 C4* C B1230 -904.813 -58.710 95.066 1.00855.43 C ATOM 25205 O4* C B1230 -906.162 -58.181 95.194 1.00855.43 O ATOM 25206 C3* C B1230 -904.825 -59.495 93.775 1.00855.43 C ATOM 25207 O3* C B1230 -903.848 -60.523 93.827 1.00855.43 O ATOM 25208 C2* C B1230 -906.242 -60.052 93.724 1.00855.43 C ATOM 25209 O2* C B1230 -906.393 -61.229 94.491 1.00855.43 O ATOM 25210 C1* C B1230 -907.044 -58.917 94.361 1.00855.43 C ATOM 25211 N1 C B1230 -907.588 -58.009 93.340 1.00855.43 N ATOM 25212 C2 C B1230 -908.584 -58.483 92.479 1.00855.43 C ATOM 25213 O2 C B1230 -908.998 -59.645 92.620 1.00855.43 O ATOM 25214 N3 C B1230 -909.072 -57.666 91.517 1.00855.43 N ATOM 25215 C4 C B1230 -908.599 -56.423 91.397 1.00855.43 C ATOM 25216 N4 C B1230 -909.096 -55.653 90.430 1.00855.43 N ATOM 25217 C5 C B1230 -907.591 -55.912 92.269 1.00855.43 C ATOM 25218 C6 C B1230 -907.121 -56.730 93.215 1.00855.43 C ATOM 25219 P A B1231 -903.441 -61.290 92.477 1.00855.43 P ATOM 25220 O1P A B1231 -902.286 -62.173 92.783 1.00855.43 O ATOM 25221 O2P A B1231 -903.333 -60.286 91.388 1.00855.43 O ATOM 25222 O5* A B1231 -904.708 -62.209 92.172 1.00855.43 O ATOM 25223 C5* A B1231 -904.899 -62.772 90.878 1.00855.43 C ATOM 25224 C4* A B1231 -906.344 -63.166 90.682 1.00855.43 C ATOM 25225 O4* A B1231 -907.222 -62.086 91.100 1.00855.43 O ATOM 25226 C3* A B1231 -906.787 -63.491 89.286 1.00855.43 C ATOM 25227 O3* A B1231 -906.431 -64.830 88.978 1.00855.43 O ATOM 25228 C2* A B1231 -908.292 -63.274 89.339 1.00855.43 C ATOM 25229 O2* A B1231 -908.984 -64.392 89.862 1.00855.43 O ATOM 25230 C1* A B1231 -908.399 -62.098 90.308 1.00855.43 C ATOM 25231 N9 A B1231 -908.483 -60.828 89.587 1.00855.43 N ATOM 25232 C8 A B1231 -907.528 -60.231 88.801 1.00855.43 C ATOM 25233 N7 A B1231 -907.920 -59.103 88.259 1.00855.43 N ATOM 25234 C5 A B1231 -909.221 -58.944 88.719 1.00855.43 C ATOM 25235 C6 A B1231 -910.191 -57.944 88.500 1.00855.43 C ATOM 25236 N6 A B1231 -909.998 -56.873 87.724 1.00855.43 N ATOM 25237 N1 A B1231 -911.389 -58.086 89.108 1.00855.43 N ATOM 25238 C2 A B1231 -911.586 -59.162 89.883 1.00855.43 C ATOM 25239 N3 A B1231 -910.756 -60.167 90.164 1.00855.43 N ATOM 25240 C4 A B1231 -909.576 -59.995 89.543 1.00855.43 C ATOM 25241 P U B1232 -906.428 -65.309 87.445 1.00855.43 P ATOM 25242 O1P U B1232 -906.106 -66.760 87.421 1.00855.43 O ATOM 25243 O2P U B1232 -905.594 -64.359 86.667 1.00855.43 O ATOM 25244 O5* U B1232 -907.945 -65.126 86.987 1.00855.43 O ATOM 25245 C5* U B1232 -908.254 -64.674 85.675 1.00855.43 C ATOM 25246 C4* U B1232 -909.602 -65.204 85.237 1.00855.43 C ATOM 25247 O4* U B1232 -910.575 -64.990 86.292 1.00855.43 O ATOM 25248 C3* U B1232 -910.190 -64.506 84.011 1.00855.43 C ATOM 25249 O3* U B1232 -909.758 -65.007 82.755 1.00855.43 O ATOM 25250 C2* U B1232 -911.685 -64.711 84.204 1.00855.43 C ATOM 25251 O2* U B1232 -912.130 -65.979 83.769 1.00855.43 O ATOM 25252 C1* U B1232 -911.817 -64.611 85.723 1.00855.43 C ATOM 25253 N1 U B1232 -912.125 -63.235 86.129 1.00855.43 N ATOM 25254 C2 U B1232 -913.422 -62.808 85.940 1.00855.43 C ATOM 25255 O2 U B1232 -914.279 -63.521 85.455 1.00855.43 O ATOM 25256 N3 U B1232 -913.673 -61.521 86.327 1.00855.43 N ATOM 25257 C4 U B1232 -912.755 -60.620 86.857 1.00855.43 C ATOM 25258 O4 U B1232 -913.105 -59.461 87.088 1.00855.43 O ATOM 25259 C5 U B1232 -911.429 -61.144 87.022 1.00855.43 C ATOM 25260 C6 U B1232 -911.169 -62.403 86.665 1.00855.43 C ATOM 25261 P A B1233 -909.731 -64.025 81.484 1.00855.43 P ATOM 25262 O1P A B1233 -908.535 -63.154 81.622 1.00855.43 O ATOM 25263 O2P A B1233 -911.075 -63.411 81.344 1.00855.43 O ATOM 25264 O5* A B1233 -909.497 -65.002 80.249 1.00855.43 O ATOM 25265 C5* A B1233 -908.959 -64.515 79.019 1.00855.43 C ATOM 25266 C4* A B1233 -909.365 -65.426 77.888 1.00855.43 C ATOM 25267 O4* A B1233 -909.006 -66.787 78.234 1.00855.43 O ATOM 25268 C3* A B1233 -910.852 -65.479 77.605 1.00855.43 C ATOM 25269 O3* A B1233 -911.196 -64.432 76.704 1.00855.43 O ATOM 25270 C2* A B1233 -911.038 -66.859 76.991 1.00855.43 C ATOM 25271 O2* A B1233 -910.745 -66.885 75.608 1.00855.43 O ATOM 25272 C1* A B1233 -909.997 -67.680 77.754 1.00855.43 C ATOM 25273 N9 A B1233 -910.557 -68.383 78.909 1.00855.43 N ATOM 25274 C8 A B1233 -911.271 -67.843 79.950 1.00855.43 C ATOM 25275 N7 A B1233 -911.639 -68.721 80.849 1.00855.43 N ATOM 25276 C5 A B1233 -911.135 -69.923 80.367 1.00855.43 C ATOM 25277 C6 A B1233 -911.184 -71.233 80.864 1.00855.43 C ATOM 25278 N6 A B1233 -911.783 -71.572 82.006 1.00855.43 N ATOM 25279 N1 A B1233 -910.583 -72.202 80.139 1.00855.43 N ATOM 25280 C2 A B1233 -909.975 -71.864 78.994 1.00855.43 C ATOM 25281 N3 A B1233 -909.859 -70.666 78.426 1.00855.43 N ATOM 25282 C4 A B1233 -910.467 -69.727 79.169 1.00855.43 C ATOM 25283 P C B1234 -912.738 -64.030 76.511 1.00855.43 P ATOM 25284 O1P C B1234 -913.071 -63.056 77.585 1.00855.43 O ATOM 25285 O2P C B1234 -913.537 -65.273 76.375 1.00855.43 O ATOM 25286 O5* C B1234 -912.774 -63.253 75.123 1.00855.43 O ATOM 25287 C5* C B1234 -913.984 -63.138 74.383 1.00855.43 C ATOM 25288 C4* C B1234 -914.183 -61.712 73.930 1.00855.43 C ATOM 25289 O4* C B1234 -914.204 -60.824 75.077 1.00855.43 O ATOM 25290 C3* C B1234 -913.098 -61.152 73.008 1.00855.43 C ATOM 25291 O3* C B1234 -913.317 -61.491 71.645 1.00855.43 O ATOM 25292 C2* C B1234 -913.194 -59.650 73.261 1.00855.43 C ATOM 25293 O2* C B1234 -914.203 -59.032 72.492 1.00855.43 O ATOM 25294 C1* C B1234 -913.583 -59.597 74.740 1.00855.43 C ATOM 25295 N1 C B1234 -912.452 -59.374 75.662 1.00855.43 N ATOM 25296 C2 C B1234 -912.162 -58.068 76.082 1.00855.43 C ATOM 25297 O2 C B1234 -912.858 -57.130 75.666 1.00855.43 O ATOM 25298 N3 C B1234 -911.131 -57.861 76.936 1.00855.43 N ATOM 25299 C4 C B1234 -910.406 -58.894 77.366 1.00855.43 C ATOM 25300 N4 C B1234 -909.402 -58.648 78.207 1.00855.43 N ATOM 25301 C5 C B1234 -910.678 -60.232 76.953 1.00855.43 C ATOM 25302 C6 C B1234 -911.700 -60.423 76.109 1.00855.43 C ATOM 25303 P C B1235 -912.080 -61.503 70.620 1.00855.43 P ATOM 25304 O1P C B1235 -912.613 -61.884 69.286 1.00855.43 O ATOM 25305 O2P C B1235 -910.976 -62.294 71.222 1.00855.43 O ATOM 25306 O5* C B1235 -911.633 -59.978 70.561 1.00855.43 O ATOM 25307 C5* C B1235 -912.444 -59.013 69.902 1.00855.43 C ATOM 25308 C4* C B1235 -911.930 -57.620 70.162 1.00855.43 C ATOM 25309 O4* C B1235 -911.880 -57.357 71.590 1.00855.43 O ATOM 25310 C3* C B1235 -910.528 -57.306 69.661 1.00855.43 C ATOM 25311 O3* C B1235 -910.497 -56.974 68.280 1.00855.43 O ATOM 25312 C2* C B1235 -910.120 -56.130 70.545 1.00855.43 C ATOM 25313 O2* C B1235 -910.631 -54.897 70.079 1.00855.43 O ATOM 25314 C1* C B1235 -910.787 -56.495 71.871 1.00855.43 C ATOM 25315 N1 C B1235 -909.862 -57.180 72.789 1.00855.43 N ATOM 25316 C2 C B1235 -908.836 -56.436 73.383 1.00855.43 C ATOM 25317 O2 C B1235 -908.745 -55.227 73.129 1.00855.43 O ATOM 25318 N3 C B1235 -907.967 -57.054 74.218 1.00855.43 N ATOM 25319 C4 C B1235 -908.096 -58.360 74.463 1.00855.43 C ATOM 25320 N4 C B1235 -907.214 -58.929 75.289 1.00855.43 N ATOM 25321 C5 C B1235 -909.138 -59.140 73.878 1.00855.43 C ATOM 25322 C6 C B1235 -909.991 -58.514 73.054 1.00855.43 C ATOM 25323 P G B1236 -909.142 -57.188 67.449 1.00855.43 P ATOM 25324 O1P G B1236 -909.420 -56.866 66.029 1.00855.43 O ATOM 25325 O2P G B1236 -908.589 -58.522 67.806 1.00855.43 O ATOM 25326 O5* G B1236 -908.165 -56.075 68.036 1.00855.43 O ATOM 25327 C5* G B1236 -908.456 -54.693 67.877 1.00855.43 C ATOM 25328 C4* G B1236 -907.502 -53.866 68.705 1.00855.43 C ATOM 25329 O4* G B1236 -907.549 -54.301 70.086 1.00855.43 O ATOM 25330 C3* G B1236 -906.032 -53.943 68.335 1.00855.43 C ATOM 25331 O3* G B1236 -905.751 -53.086 67.237 1.00855.43 O ATOM 25332 C2* G B1236 -905.337 -53.543 69.629 1.00855.43 C ATOM 25333 O2* G B1236 -905.272 -52.142 69.801 1.00855.43 O ATOM 25334 C1* G B1236 -906.265 -54.160 70.676 1.00855.43 C ATOM 25335 N9 G B1236 -905.819 -55.492 71.077 1.00855.43 N ATOM 25336 C8 G B1236 -906.431 -56.687 70.782 1.00855.43 C ATOM 25337 N7 G B1236 -905.791 -57.719 71.261 1.00855.43 N ATOM 25338 C5 G B1236 -904.696 -57.173 71.913 1.00855.43 C ATOM 25339 C6 G B1236 -903.640 -57.802 72.620 1.00855.43 C ATOM 25340 O6 G B1236 -903.459 -59.010 72.817 1.00855.43 O ATOM 25341 N1 G B1236 -902.741 -56.873 73.128 1.00855.43 N ATOM 25342 C2 G B1236 -902.839 -55.510 72.974 1.00855.43 C ATOM 25343 N2 G B1236 -901.870 -54.781 73.545 1.00855.43 N ATOM 25344 N3 G B1236 -903.815 -54.910 72.315 1.00855.43 N ATOM 25345 C4 G B1236 -904.701 -55.799 71.814 1.00855.43 C ATOM 25346 P G B1237 -904.884 -53.647 66.016 1.00855.43 P ATOM 25347 O1P G B1237 -904.384 -52.503 65.215 1.00855.43 O ATOM 25348 O2P G B1237 -905.703 -54.695 65.363 1.00855.43 O ATOM 25349 O5* G B1237 -903.653 -54.348 66.737 1.00855.43 O ATOM 25350 C5* G B1237 -902.945 -55.403 66.107 1.00855.43 C ATOM 25351 C4* G B1237 -901.469 -55.158 66.190 1.00855.43 C ATOM 25352 O4* G B1237 -901.152 -54.019 65.348 1.00855.43 O ATOM 25353 C3* G B1237 -900.966 -54.772 67.556 1.00855.43 C ATOM 25354 O3* G B1237 -900.700 -55.947 68.341 1.00855.43 O ATOM 25355 C2* G B1237 -899.705 -53.989 67.214 1.00855.43 C ATOM 25356 O2* G B1237 -898.659 -54.850 66.832 1.00855.43 O ATOM 25357 C1* G B1237 -900.100 -53.276 65.929 1.00855.43 C ATOM 25358 N9 G B1237 -900.562 -51.915 66.164 1.00855.43 N ATOM 25359 C8 G B1237 -901.705 -51.532 66.825 1.00855.43 C ATOM 25360 N7 G B1237 -901.859 -50.239 66.870 1.00855.43 N ATOM 25361 C5 G B1237 -900.754 -49.733 66.205 1.00855.43 C ATOM 25362 C6 G B1237 -900.379 -48.395 65.930 1.00855.43 C ATOM 25363 O6 G B1237 -900.975 -47.353 66.231 1.00855.43 O ATOM 25364 N1 G B1237 -899.178 -48.329 65.231 1.00855.43 N ATOM 25365 C2 G B1237 -898.434 -49.413 64.841 1.00855.43 C ATOM 25366 N2 G B1237 -897.299 -49.139 64.178 1.00855.43 N ATOM 25367 N3 G B1237 -898.772 -50.668 65.086 1.00855.43 N ATOM 25368 C4 G B1237 -899.939 -50.755 65.767 1.00855.43 C ATOM 25369 P A B1238 -901.558 -56.233 69.683 1.00855.43 P ATOM 25370 O1P A B1238 -902.057 -57.631 69.620 1.00855.43 O ATOM 25371 O2P A B1238 -902.524 -55.118 69.864 1.00855.43 O ATOM 25372 O5* A B1238 -900.502 -56.153 70.883 1.00855.43 O ATOM 25373 C5* A B1238 -899.317 -56.962 70.901 1.00855.43 C ATOM 25374 C4* A B1238 -898.132 -56.135 71.364 1.00855.43 C ATOM 25375 O4* A B1238 -897.920 -55.053 70.425 1.00855.43 O ATOM 25376 C3* A B1238 -898.300 -55.439 72.704 1.00855.43 C ATOM 25377 O3* A B1238 -897.933 -56.303 73.776 1.00855.43 O ATOM 25378 C2* A B1238 -897.377 -54.232 72.585 1.00855.43 C ATOM 25379 O2* A B1238 -896.030 -54.549 72.858 1.00855.43 O ATOM 25380 C1* A B1238 -897.507 -53.883 71.100 1.00855.43 C ATOM 25381 N9 A B1238 -898.475 -52.828 70.784 1.00855.43 N ATOM 25382 C8 A B1238 -899.843 -52.937 70.748 1.00855.43 C ATOM 25383 N7 A B1238 -900.459 -51.834 70.399 1.00855.43 N ATOM 25384 C5 A B1238 -899.427 -50.927 70.201 1.00855.43 C ATOM 25385 C6 A B1238 -899.419 -49.572 69.819 1.00855.43 C ATOM 25386 N6 A B1238 -900.525 -48.871 69.558 1.00855.43 N ATOM 25387 N1 A B1238 -898.221 -48.956 69.716 1.00855.43 N ATOM 25388 C2 A B1238 -897.117 -49.660 69.977 1.00855.43 C ATOM 25389 N3 A B1238 -896.994 -50.936 70.343 1.00855.43 N ATOM 25390 C4 A B1238 -898.200 -51.523 70.439 1.00855.43 C ATOM 25391 P A B1239 -898.645 -56.156 75.207 1.00855.43 P ATOM 25392 O1P A B1239 -897.943 -57.067 76.146 1.00855.43 O ATOM 25393 O2P A B1239 -900.107 -56.292 75.008 1.00855.43 O ATOM 25394 O5* A B1239 -898.338 -54.654 75.646 1.00855.43 O ATOM 25395 C5* A B1239 -897.043 -54.257 76.104 1.00855.43 C ATOM 25396 C4* A B1239 -897.047 -52.778 76.395 1.00855.43 C ATOM 25397 O4* A B1239 -897.293 -52.069 75.152 1.00855.43 O ATOM 25398 C3* A B1239 -898.140 -52.282 77.324 1.00855.43 C ATOM 25399 O3* A B1239 -897.802 -52.438 78.699 1.00855.43 O ATOM 25400 C2* A B1239 -898.306 -50.826 76.908 1.00855.43 C ATOM 25401 O2* A B1239 -897.345 -49.976 77.498 1.00855.43 O ATOM 25402 C1* A B1239 -898.066 -50.914 75.396 1.00855.43 C ATOM 25403 N9 A B1239 -899.293 -51.058 74.619 1.00855.43 N ATOM 25404 C8 A B1239 -900.013 -52.213 74.431 1.00855.43 C ATOM 25405 N7 A B1239 -901.059 -52.066 73.657 1.00855.43 N ATOM 25406 C5 A B1239 -901.035 -50.719 73.319 1.00855.43 C ATOM 25407 C6 A B1239 -901.877 -49.934 72.516 1.00855.43 C ATOM 25408 N6 A B1239 -902.946 -50.415 71.876 1.00855.43 N ATOM 25409 N1 A B1239 -901.580 -48.627 72.390 1.00855.43 N ATOM 25410 C2 A B1239 -900.503 -48.147 73.025 1.00855.43 C ATOM 25411 N3 A B1239 -899.631 -48.787 73.803 1.00855.43 N ATOM 25412 C4 A B1239 -899.959 -50.085 73.911 1.00855.43 C ATOM 25413 P G B1240 -898.958 -52.733 79.776 1.00855.43 P ATOM 25414 O1P G B1240 -898.300 -52.955 81.085 1.00855.43 O ATOM 25415 O2P G B1240 -899.860 -53.770 79.218 1.00855.43 O ATOM 25416 O5* G B1240 -899.764 -51.359 79.852 1.00855.43 O ATOM 25417 C5* G B1240 -901.149 -51.344 80.180 1.00855.43 C ATOM 25418 C4* G B1240 -901.953 -50.837 79.006 1.00855.43 C ATOM 25419 O4* G B1240 -901.649 -51.630 77.832 1.00855.43 O ATOM 25420 C3* G B1240 -903.468 -50.919 79.157 1.00855.43 C ATOM 25421 O3* G B1240 -904.003 -49.807 79.866 1.00855.43 O ATOM 25422 C2* G B1240 -903.940 -50.984 77.709 1.00855.43 C ATOM 25423 O2* G B1240 -904.023 -49.706 77.108 1.00855.43 O ATOM 25424 C1* G B1240 -902.819 -51.789 77.050 1.00855.43 C ATOM 25425 N9 G B1240 -903.116 -53.217 76.972 1.00855.43 N ATOM 25426 C8 G B1240 -902.524 -54.223 77.697 1.00855.43 C ATOM 25427 N7 G B1240 -903.003 -55.405 77.419 1.00855.43 N ATOM 25428 C5 G B1240 -903.971 -55.165 76.453 1.00855.43 C ATOM 25429 C6 G B1240 -904.832 -56.065 75.770 1.00855.43 C ATOM 25430 O6 G B1240 -904.918 -57.293 75.887 1.00855.43 O ATOM 25431 N1 G B1240 -905.655 -55.398 74.866 1.00855.43 N ATOM 25432 C2 G B1240 -905.650 -54.044 74.647 1.00855.43 C ATOM 25433 N2 G B1240 -906.518 -53.592 73.731 1.00855.43 N ATOM 25434 N3 G B1240 -904.854 -53.193 75.280 1.00855.43 N ATOM 25435 C4 G B1240 -904.045 -53.819 76.162 1.00855.43 C ATOM 25436 P G B1241 -905.112 -50.051 81.005 1.00855.43 P ATOM 25437 O1P G B1241 -905.107 -48.854 81.888 1.00855.43 O ATOM 25438 O2P G B1241 -904.898 -51.395 81.587 1.00855.43 O ATOM 25439 O5* G B1241 -906.489 -50.063 80.203 1.00855.43 O ATOM 25440 C5* G B1241 -907.145 -48.847 79.865 1.00855.43 C ATOM 25441 C4* G B1241 -908.224 -49.098 78.841 1.00855.43 C ATOM 25442 O4* G B1241 -907.646 -49.766 77.687 1.00855.43 O ATOM 25443 C3* G B1241 -909.369 -50.011 79.253 1.00855.43 C ATOM 25444 O3* G B1241 -910.367 -49.355 80.020 1.00855.43 O ATOM 25445 C2* G B1241 -909.898 -50.493 77.912 1.00855.43 C ATOM 25446 O2* G B1241 -910.739 -49.548 77.284 1.00855.43 O ATOM 25447 C1* G B1241 -908.602 -50.648 77.115 1.00855.43 C ATOM 25448 N9 G B1241 -908.102 -52.009 77.245 1.00855.43 N ATOM 25449 C8 G B1241 -906.928 -52.410 77.836 1.00855.43 C ATOM 25450 N7 G B1241 -906.776 -53.705 77.844 1.00855.43 N ATOM 25451 C5 G B1241 -907.916 -54.192 77.217 1.00855.43 C ATOM 25452 C6 G B1241 -908.314 -55.525 76.936 1.00855.43 C ATOM 25453 O6 G B1241 -907.727 -56.577 77.202 1.00855.43 O ATOM 25454 N1 G B1241 -909.539 -55.562 76.277 1.00855.43 N ATOM 25455 C2 G B1241 -910.285 -54.464 75.931 1.00855.43 C ATOM 25456 N2 G B1241 -911.436 -54.715 75.294 1.00855.43 N ATOM 25457 N3 G B1241 -909.927 -53.217 76.191 1.00855.43 N ATOM 25458 C4 G B1241 -908.738 -53.156 76.831 1.00855.43 C ATOM 25459 P A B1242 -911.021 -50.121 81.277 1.00855.43 P ATOM 25460 O1P A B1242 -912.090 -49.253 81.833 1.00855.43 O ATOM 25461 O2P A B1242 -909.921 -50.589 82.159 1.00855.43 O ATOM 25462 O5* A B1242 -911.707 -51.401 80.625 1.00855.43 O ATOM 25463 C5* A B1242 -912.686 -51.253 79.602 1.00855.43 C ATOM 25464 C4* A B1242 -913.347 -52.578 79.298 1.00855.43 C ATOM 25465 O4* A B1242 -912.374 -53.525 78.782 1.00855.43 O ATOM 25466 C3* A B1242 -914.027 -53.357 80.405 1.00855.43 C ATOM 25467 O3* A B1242 -915.295 -52.805 80.729 1.00855.43 O ATOM 25468 C2* A B1242 -914.131 -54.757 79.810 1.00855.43 C ATOM 25469 O2* A B1242 -915.246 -54.903 78.950 1.00855.43 O ATOM 25470 C1* A B1242 -912.841 -54.848 78.995 1.00855.43 C ATOM 25471 N9 A B1242 -911.807 -55.596 79.712 1.00855.43 N ATOM 25472 C8 A B1242 -910.636 -55.121 80.249 1.00855.43 C ATOM 25473 N7 A B1242 -909.924 -56.037 80.857 1.00855.43 N ATOM 25474 C5 A B1242 -910.672 -57.196 80.707 1.00855.43 C ATOM 25475 C6 A B1242 -910.463 -58.521 81.133 1.00855.43 C ATOM 25476 N6 A B1242 -909.392 -58.916 81.827 1.00855.43 N ATOM 25477 N1 A B1242 -911.403 -59.439 80.818 1.00855.43 N ATOM 25478 C2 A B1242 -912.476 -59.042 80.123 1.00855.43 C ATOM 25479 N3 A B1242 -912.785 -57.829 79.669 1.00855.43 N ATOM 25480 C4 A B1242 -911.833 -56.941 79.999 1.00855.43 C ATOM 25481 P G B1243 -915.924 -53.071 82.181 1.00855.43 P ATOM 25482 O1P G B1243 -917.202 -52.324 82.267 1.00855.43 O ATOM 25483 O2P G B1243 -914.866 -52.832 83.195 1.00855.43 O ATOM 25484 O5* G B1243 -916.250 -54.629 82.170 1.00855.43 O ATOM 25485 C5* G B1243 -917.307 -55.144 81.364 1.00855.43 C ATOM 25486 C4* G B1243 -917.658 -56.546 81.805 1.00855.43 C ATOM 25487 O4* G B1243 -916.561 -57.440 81.485 1.00855.43 O ATOM 25488 C3* G B1243 -917.825 -56.838 83.285 1.00855.43 C ATOM 25489 O3* G B1243 -919.090 -56.377 83.735 1.00855.43 O ATOM 25490 C2* G B1243 -917.651 -58.347 83.395 1.00855.43 C ATOM 25491 O2* G B1243 -918.855 -59.046 83.158 1.00855.43 O ATOM 25492 C1* G B1243 -916.666 -58.625 82.254 1.00855.43 C ATOM 25493 N9 G B1243 -915.326 -58.956 82.733 1.00855.43 N ATOM 25494 C8 G B1243 -914.438 -58.088 83.318 1.00855.43 C ATOM 25495 N7 G B1243 -913.308 -58.649 83.648 1.00855.43 N ATOM 25496 C5 G B1243 -913.457 -59.973 83.259 1.00855.43 C ATOM 25497 C6 G B1243 -912.550 -61.063 83.370 1.00855.43 C ATOM 25498 O6 G B1243 -911.411 -61.072 83.854 1.00855.43 O ATOM 25499 N1 G B1243 -913.094 -62.232 82.853 1.00855.43 N ATOM 25500 C2 G B1243 -914.360 -62.339 82.306 1.00855.43 C ATOM 25501 N2 G B1243 -914.719 -63.558 81.868 1.00855.43 N ATOM 25502 N3 G B1243 -915.212 -61.327 82.200 1.00855.43 N ATOM 25503 C4 G B1243 -914.697 -60.181 82.691 1.00855.43 C ATOM 25504 P U B1244 -919.177 -55.461 85.053 1.00855.43 P ATOM 25505 O1P U B1244 -920.578 -54.985 85.175 1.00855.43 O ATOM 25506 O2P U B1244 -918.066 -54.476 85.005 1.00855.43 O ATOM 25507 O5* U B1244 -918.887 -56.479 86.244 1.00855.43 O ATOM 25508 C5* U B1244 -919.768 -57.570 86.488 1.00855.43 C ATOM 25509 C4* U B1244 -919.210 -58.476 87.562 1.00855.43 C ATOM 25510 O4* U B1244 -917.833 -58.820 87.255 1.00855.43 O ATOM 25511 C3* U B1244 -919.175 -57.901 88.972 1.00855.43 C ATOM 25512 O3* U B1244 -920.416 -58.087 89.639 1.00855.43 O ATOM 25513 C2* U B1244 -918.063 -58.711 89.629 1.00855.43 C ATOM 25514 O2* U B1244 -918.513 -59.965 90.101 1.00855.43 O ATOM 25515 C1* U B1244 -917.094 -58.927 88.464 1.00855.43 C ATOM 25516 N1 U B1244 -916.004 -57.939 88.456 1.00855.43 N ATOM 25517 C2 U B1244 -914.855 -58.260 89.157 1.00855.43 C ATOM 25518 O2 U B1244 -914.703 -59.326 89.723 1.00855.43 O ATOM 25519 N3 U B1244 -913.890 -57.284 89.165 1.00855.43 N ATOM 25520 C4 U B1244 -913.947 -56.053 88.552 1.00855.43 C ATOM 25521 O4 U B1244 -913.005 -55.269 88.687 1.00855.43 O ATOM 25522 C5 U B1244 -915.160 -55.803 87.828 1.00855.43 C ATOM 25523 C6 U B1244 -916.123 -56.731 87.805 1.00855.43 C ATOM 25524 P G B1245 -920.771 -57.171 90.916 1.00855.43 P ATOM 25525 O1P G B1245 -922.055 -57.665 91.475 1.00855.43 O ATOM 25526 O2P G B1245 -920.645 -55.750 90.512 1.00855.43 O ATOM 25527 O5* G B1245 -919.614 -57.500 91.962 1.00855.43 O ATOM 25528 C5* G B1245 -919.920 -58.075 93.229 1.00855.43 C ATOM 25529 C4* G B1245 -918.858 -59.074 93.629 1.00855.43 C ATOM 25530 O4* G B1245 -917.879 -59.209 92.570 1.00855.43 O ATOM 25531 C3* G B1245 -918.050 -58.748 94.874 1.00855.43 C ATOM 25532 O3* G B1245 -918.723 -59.168 96.058 1.00855.43 O ATOM 25533 C2* G B1245 -916.758 -59.524 94.651 1.00855.43 C ATOM 25534 O2* G B1245 -916.861 -60.878 95.038 1.00855.43 O ATOM 25535 C1* G B1245 -916.597 -59.440 93.131 1.00855.43 C ATOM 25536 N9 G B1245 -915.710 -58.359 92.702 1.00855.43 N ATOM 25537 C8 G B1245 -916.082 -57.167 92.137 1.00855.43 C ATOM 25538 N7 G B1245 -915.065 -56.398 91.847 1.00855.43 N ATOM 25539 C5 G B1245 -913.957 -57.132 92.248 1.00855.43 C ATOM 25540 C6 G B1245 -912.579 -56.811 92.187 1.00855.43 C ATOM 25541 O6 G B1245 -912.044 -55.790 91.743 1.00855.43 O ATOM 25542 N1 G B1245 -911.794 -57.835 92.705 1.00855.43 N ATOM 25543 C2 G B1245 -912.269 -59.015 93.218 1.00855.43 C ATOM 25544 N2 G B1245 -911.343 -59.873 93.678 1.00855.43 N ATOM 25545 N3 G B1245 -913.556 -59.327 93.281 1.00855.43 N ATOM 25546 C4 G B1245 -914.336 -58.345 92.782 1.00855.43 C ATOM 25547 P G B1246 -918.480 -58.378 97.436 1.00855.43 P ATOM 25548 O1P G B1246 -919.336 -59.021 98.465 1.00855.43 O ATOM 25549 O2P G B1246 -918.614 -56.923 97.175 1.00855.43 O ATOM 25550 O5* G B1246 -916.959 -58.687 97.800 1.00855.43 O ATOM 25551 C5* G B1246 -916.547 -60.004 98.145 1.00855.43 C ATOM 25552 C4* G B1246 -915.040 -60.114 98.124 1.00855.43 C ATOM 25553 O4* G B1246 -914.546 -59.855 96.783 1.00855.43 O ATOM 25554 C3* G B1246 -914.364 -59.086 99.000 1.00855.43 C ATOM 25555 O3* G B1246 -914.229 -59.596 100.320 1.00855.43 O ATOM 25556 C2* G B1246 -913.016 -58.892 98.328 1.00855.43 C ATOM 25557 O2* G B1246 -912.070 -59.877 98.694 1.00855.43 O ATOM 25558 C1* G B1246 -913.383 -59.042 96.853 1.00855.43 C ATOM 25559 N9 G B1246 -913.690 -57.736 96.285 1.00855.43 N ATOM 25560 C8 G B1246 -914.917 -57.124 96.212 1.00855.43 C ATOM 25561 N7 G B1246 -914.862 -55.924 95.696 1.00855.43 N ATOM 25562 C5 G B1246 -913.516 -55.739 95.404 1.00855.43 C ATOM 25563 C6 G B1246 -912.839 -54.625 94.837 1.00855.43 C ATOM 25564 O6 G B1246 -913.308 -53.538 94.475 1.00855.43 O ATOM 25565 N1 G B1246 -911.476 -54.866 94.713 1.00855.43 N ATOM 25566 C2 G B1246 -910.839 -56.022 95.086 1.00855.43 C ATOM 25567 N2 G B1246 -909.516 -56.063 94.879 1.00855.43 N ATOM 25568 N3 G B1246 -911.457 -57.064 95.619 1.00855.43 N ATOM 25569 C4 G B1246 -912.784 -56.855 95.748 1.00855.43 C ATOM 25570 P U B1247 -915.074 -58.924 101.512 1.00855.43 P ATOM 25571 O1P U B1247 -915.089 -59.873 102.653 1.00855.43 O ATOM 25572 O2P U B1247 -916.358 -58.434 100.947 1.00855.43 O ATOM 25573 O5* U B1247 -914.208 -57.660 101.937 1.00855.43 O ATOM 25574 C5* U B1247 -912.868 -57.815 102.397 1.00855.43 C ATOM 25575 C4* U B1247 -912.024 -56.641 101.967 1.00855.43 C ATOM 25576 O4* U B1247 -912.188 -56.416 100.544 1.00855.43 O ATOM 25577 C3* U B1247 -912.345 -55.299 102.606 1.00855.43 C ATOM 25578 O3* U B1247 -911.711 -55.157 103.872 1.00855.43 O ATOM 25579 C2* U B1247 -911.802 -54.299 101.587 1.00855.43 C ATOM 25580 O2* U B1247 -910.420 -54.054 101.754 1.00855.43 O ATOM 25581 C1* U B1247 -912.022 -55.037 100.262 1.00855.43 C ATOM 25582 N1 U B1247 -913.187 -54.570 99.496 1.00855.43 N ATOM 25583 C2 U B1247 -912.936 -53.981 98.274 1.00855.43 C ATOM 25584 O2 U B1247 -911.810 -53.848 97.829 1.00855.43 O ATOM 25585 N3 U B1247 -914.050 -53.557 97.594 1.00855.43 N ATOM 25586 C4 U B1247 -915.365 -53.665 98.007 1.00855.43 C ATOM 25587 O4 U B1247 -916.266 -53.241 97.277 1.00855.43 O ATOM 25588 C5 U B1247 -915.540 -54.287 99.283 1.00855.43 C ATOM 25589 C6 U B1247 -914.469 -54.708 99.969 1.00855.43 C ATOM 25590 P G B1248 -912.259 -54.077 104.925 1.00855.43 P ATOM 25591 O1P G B1248 -911.374 -54.123 106.117 1.00855.43 O ATOM 25592 O2P G B1248 -913.724 -54.283 105.089 1.00855.43 O ATOM 25593 O5* G B1248 -912.034 -52.679 104.194 1.00855.43 O ATOM 25594 C5* G B1248 -910.726 -52.135 104.042 1.00855.43 C ATOM 25595 C4* G B1248 -910.779 -50.935 103.128 1.00855.43 C ATOM 25596 O4* G B1248 -911.350 -51.333 101.858 1.00855.43 O ATOM 25597 C3* G B1248 -911.662 -49.798 103.589 1.00855.43 C ATOM 25598 O3* G B1248 -910.966 -48.969 104.518 1.00855.43 O ATOM 25599 C2* G B1248 -912.004 -49.088 102.283 1.00855.43 C ATOM 25600 O2* G B1248 -910.989 -48.197 101.867 1.00855.43 O ATOM 25601 C1* G B1248 -912.090 -50.263 101.305 1.00855.43 C ATOM 25602 N9 G B1248 -913.459 -50.730 101.107 1.00855.43 N ATOM 25603 C8 G B1248 -914.107 -51.699 101.833 1.00855.43 C ATOM 25604 N7 G B1248 -915.327 -51.913 101.429 1.00855.43 N ATOM 25605 C5 G B1248 -915.498 -51.036 100.369 1.00855.43 C ATOM 25606 C6 G B1248 -916.625 -50.811 99.534 1.00855.43 C ATOM 25607 O6 G B1248 -917.729 -51.365 99.568 1.00855.43 O ATOM 25608 N1 G B1248 -916.372 -49.827 98.586 1.00855.43 N ATOM 25609 C2 G B1248 -915.186 -49.143 98.457 1.00855.43 C ATOM 25610 N2 G B1248 -915.138 -48.227 97.478 1.00855.43 N ATOM 25611 N3 G B1248 -914.129 -49.341 99.229 1.00855.43 N ATOM 25612 C4 G B1248 -914.353 -50.292 100.155 1.00855.43 C ATOM 25613 P G B1249 -911.620 -48.655 105.955 1.00855.43 P ATOM 25614 O1P G B1249 -910.507 -48.549 106.932 1.00855.43 O ATOM 25615 O2P G B1249 -912.714 -49.631 106.194 1.00855.43 O ATOM 25616 O5* G B1249 -912.265 -47.209 105.778 1.00855.43 O ATOM 25617 C5* G B1249 -911.434 -46.064 105.622 1.00855.43 C ATOM 25618 C4* G B1249 -911.891 -45.255 104.436 1.00855.43 C ATOM 25619 O4* G B1249 -912.358 -46.167 103.416 1.00855.43 O ATOM 25620 C3* G B1249 -913.052 -44.273 104.639 1.00855.43 C ATOM 25621 O3* G B1249 -912.554 -43.048 105.187 1.00855.43 O ATOM 25622 C2* G B1249 -913.647 -44.169 103.235 1.00855.43 C ATOM 25623 O2* G B1249 -912.962 -43.259 102.403 1.00855.43 O ATOM 25624 C1* G B1249 -913.418 -45.579 102.687 1.00855.43 C ATOM 25625 N9 G B1249 -914.550 -46.499 102.753 1.00855.43 N ATOM 25626 C8 G B1249 -914.753 -47.508 103.664 1.00855.43 C ATOM 25627 N7 G B1249 -915.825 -48.212 103.418 1.00855.43 N ATOM 25628 C5 G B1249 -916.371 -47.622 102.287 1.00855.43 C ATOM 25629 C6 G B1249 -917.531 -47.959 101.548 1.00855.43 C ATOM 25630 O6 G B1249 -918.323 -48.889 101.733 1.00855.43 O ATOM 25631 N1 G B1249 -917.727 -47.089 100.479 1.00855.43 N ATOM 25632 C2 G B1249 -916.908 -46.036 100.157 1.00855.43 C ATOM 25633 N2 G B1249 -917.271 -45.312 99.095 1.00855.43 N ATOM 25634 N3 G B1249 -915.810 -45.721 100.832 1.00855.43 N ATOM 25635 C4 G B1249 -915.608 -46.550 101.876 1.00855.43 C ATOM 25636 P A B1250 -913.569 -41.911 105.703 1.00855.43 P ATOM 25637 O1P A B1250 -913.522 -41.938 107.186 1.00855.43 O ATOM 25638 O2P A B1250 -914.872 -42.068 105.007 1.00855.43 O ATOM 25639 O5* A B1250 -912.890 -40.548 105.227 1.00855.43 O ATOM 25640 C5* A B1250 -913.610 -39.586 104.457 1.00855.43 C ATOM 25641 C4* A B1250 -913.413 -39.854 102.985 1.00855.43 C ATOM 25642 O4* A B1250 -914.140 -41.046 102.616 1.00855.43 O ATOM 25643 C3* A B1250 -913.925 -38.825 101.980 1.00855.43 C ATOM 25644 O3* A B1250 -912.951 -37.789 101.826 1.00855.43 O ATOM 25645 C2* A B1250 -914.130 -39.625 100.695 1.00855.43 C ATOM 25646 O2* A B1250 -912.949 -39.668 99.919 1.00855.43 O ATOM 25647 C1* A B1250 -914.391 -41.038 101.226 1.00855.43 C ATOM 25648 N9 A B1250 -915.704 -41.648 101.006 1.00855.43 N ATOM 25649 C8 A B1250 -916.246 -42.715 101.684 1.00855.43 C ATOM 25650 N7 A B1250 -917.389 -43.136 101.190 1.00855.43 N ATOM 25651 C5 A B1250 -917.631 -42.263 100.139 1.00855.43 C ATOM 25652 C6 A B1250 -918.674 -42.190 99.206 1.00855.43 C ATOM 25653 N6 A B1250 -919.682 -43.068 99.167 1.00855.43 N ATOM 25654 N1 A B1250 -918.630 -41.197 98.289 1.00855.43 N ATOM 25655 C2 A B1250 -917.586 -40.359 98.305 1.00855.43 C ATOM 25656 N3 A B1250 -916.531 -40.338 99.121 1.00855.43 N ATOM 25657 C4 A B1250 -916.616 -41.326 100.028 1.00855.43 C ATOM 25658 P G B1251 -913.296 -36.470 100.970 1.00855.43 P ATOM 25659 O1P G B1251 -912.038 -35.687 100.852 1.00855.43 O ATOM 25660 O2P G B1251 -914.503 -35.834 101.547 1.00855.43 O ATOM 25661 O5* G B1251 -913.662 -37.029 99.522 1.00855.43 O ATOM 25662 C5* G B1251 -912.766 -36.880 98.420 1.00855.43 C ATOM 25663 C4* G B1251 -912.988 -37.994 97.430 1.00855.43 C ATOM 25664 O4* G B1251 -914.411 -38.113 97.169 1.00855.43 O ATOM 25665 C3* G B1251 -912.365 -37.860 96.059 1.00855.43 C ATOM 25666 O3* G B1251 -911.013 -38.298 96.083 1.00855.43 O ATOM 25667 C2* G B1251 -913.245 -38.762 95.203 1.00855.43 C ATOM 25668 O2* G B1251 -912.879 -40.127 95.294 1.00855.43 O ATOM 25669 C1* G B1251 -914.618 -38.554 95.842 1.00855.43 C ATOM 25670 N9 G B1251 -915.366 -37.519 95.141 1.00855.43 N ATOM 25671 C8 G B1251 -915.432 -36.186 95.463 1.00855.43 C ATOM 25672 N7 G B1251 -916.152 -35.488 94.628 1.00855.43 N ATOM 25673 C5 G B1251 -916.596 -36.424 93.702 1.00855.43 C ATOM 25674 C6 G B1251 -917.410 -36.261 92.559 1.00855.43 C ATOM 25675 O6 G B1251 -917.916 -35.227 92.114 1.00855.43 O ATOM 25676 N1 G B1251 -917.622 -37.474 91.906 1.00855.43 N ATOM 25677 C2 G B1251 -917.107 -38.684 92.300 1.00855.43 C ATOM 25678 N2 G B1251 -917.425 -39.741 91.541 1.00855.43 N ATOM 25679 N3 G B1251 -916.339 -38.847 93.362 1.00855.43 N ATOM 25680 C4 G B1251 -916.126 -37.682 94.011 1.00855.43 C ATOM 25681 P C B1252 -910.007 -37.825 94.918 1.00855.43 P ATOM 25682 O1P C B1252 -908.707 -38.508 95.136 1.00855.43 O ATOM 25683 O2P C B1252 -910.051 -36.342 94.845 1.00855.43 O ATOM 25684 O5* C B1252 -910.653 -38.403 93.579 1.00855.43 O ATOM 25685 C5* C B1252 -910.678 -39.805 93.328 1.00855.43 C ATOM 25686 C4* C B1252 -911.470 -40.100 92.075 1.00855.43 C ATOM 25687 O4* C B1252 -912.784 -39.496 92.206 1.00855.43 O ATOM 25688 C3* C B1252 -910.937 -39.471 90.819 1.00855.43 C ATOM 25689 O3* C B1252 -909.942 -40.344 90.287 1.00855.43 O ATOM 25690 C2* C B1252 -912.159 -39.383 89.916 1.00855.43 C ATOM 25691 O2* C B1252 -912.412 -40.588 89.224 1.00855.43 O ATOM 25692 C1* C B1252 -913.275 -39.131 90.927 1.00855.43 C ATOM 25693 N1 C B1252 -913.655 -37.709 90.958 1.00855.43 N ATOM 25694 C2 C B1252 -914.513 -37.228 89.970 1.00855.43 C ATOM 25695 O2 C B1252 -914.958 -38.021 89.131 1.00855.43 O ATOM 25696 N3 C B1252 -914.838 -35.915 89.952 1.00855.43 N ATOM 25697 C4 C B1252 -914.346 -35.097 90.883 1.00855.43 C ATOM 25698 N4 C B1252 -914.682 -33.805 90.816 1.00855.43 N ATOM 25699 C5 C B1252 -913.482 -35.563 91.920 1.00855.43 C ATOM 25700 C6 C B1252 -913.166 -36.869 91.919 1.00855.43 C ATOM 25701 P C B1253 -908.629 -39.724 89.591 1.00855.43 P ATOM 25702 O1P C B1253 -907.475 -39.981 90.491 1.00855.43 O ATOM 25703 O2P C B1253 -908.936 -38.330 89.178 1.00855.43 O ATOM 25704 O5* C B1253 -908.434 -40.597 88.274 1.00855.43 O ATOM 25705 C5* C B1253 -908.538 -39.997 86.988 1.00855.43 C ATOM 25706 C4* C B1253 -909.945 -40.120 86.456 1.00855.43 C ATOM 25707 O4* C B1253 -910.828 -39.362 87.317 1.00855.43 O ATOM 25708 C3* C B1253 -910.189 -39.555 85.078 1.00855.43 C ATOM 25709 O3* C B1253 -909.851 -40.506 84.075 1.00855.43 O ATOM 25710 C2* C B1253 -911.677 -39.234 85.105 1.00855.43 C ATOM 25711 O2* C B1253 -912.487 -40.364 84.847 1.00855.43 O ATOM 25712 C1* C B1253 -911.867 -38.778 86.552 1.00855.43 C ATOM 25713 N1 C B1253 -911.742 -37.320 86.693 1.00855.43 N ATOM 25714 C2 C B1253 -912.829 -36.507 86.363 1.00855.43 C ATOM 25715 O2 C B1253 -913.879 -37.036 85.969 1.00855.43 O ATOM 25716 N3 C B1253 -912.704 -35.163 86.480 1.00855.43 N ATOM 25717 C4 C B1253 -911.555 -34.632 86.904 1.00855.43 C ATOM 25718 N4 C B1253 -911.473 -33.304 87.000 1.00855.43 N ATOM 25719 C5 C B1253 -910.435 -35.440 87.249 1.00855.43 C ATOM 25720 C6 C B1253 -910.574 -36.766 87.135 1.00855.43 C ATOM 25721 P G B1254 -909.465 -39.995 82.598 1.00855.43 P ATOM 25722 O1P G B1254 -908.952 -41.164 81.837 1.00855.43 O ATOM 25723 O2P G B1254 -908.622 -38.780 82.732 1.00855.43 O ATOM 25724 O5* G B1254 -910.863 -39.563 81.967 1.00855.43 O ATOM 25725 C5* G B1254 -911.622 -40.477 81.182 1.00855.43 C ATOM 25726 C4* G B1254 -912.700 -39.744 80.423 1.00855.43 C ATOM 25727 O4* G B1254 -913.504 -38.952 81.334 1.00855.43 O ATOM 25728 C3* G B1254 -912.258 -38.761 79.367 1.00855.43 C ATOM 25729 O3* G B1254 -911.960 -39.456 78.166 1.00855.43 O ATOM 25730 C2* G B1254 -913.451 -37.824 79.235 1.00855.43 C ATOM 25731 O2* G B1254 -914.451 -38.331 78.371 1.00855.43 O ATOM 25732 C1* G B1254 -913.983 -37.794 80.672 1.00855.43 C ATOM 25733 N9 G B1254 -913.538 -36.626 81.418 1.00855.43 N ATOM 25734 C8 G B1254 -912.242 -36.201 81.590 1.00855.43 C ATOM 25735 N7 G B1254 -912.148 -35.124 82.321 1.00855.43 N ATOM 25736 C5 G B1254 -913.461 -34.817 82.650 1.00855.43 C ATOM 25737 C6 G B1254 -913.986 -33.757 83.430 1.00855.43 C ATOM 25738 O6 G B1254 -913.376 -32.849 84.009 1.00855.43 O ATOM 25739 N1 G B1254 -915.374 -33.816 83.504 1.00855.43 N ATOM 25740 C2 G B1254 -916.158 -34.770 82.909 1.00855.43 C ATOM 25741 N2 G B1254 -917.481 -34.647 83.092 1.00855.43 N ATOM 25742 N3 G B1254 -915.680 -35.771 82.183 1.00855.43 N ATOM 25743 C4 G B1254 -914.330 -35.731 82.096 1.00855.43 C ATOM 25744 P A B1255 -910.558 -39.197 77.434 1.00855.43 P ATOM 25745 O1P A B1255 -909.811 -40.480 77.410 1.00855.43 O ATOM 25746 O2P A B1255 -909.933 -37.995 78.045 1.00855.43 O ATOM 25747 O5* A B1255 -910.985 -38.830 75.946 1.00855.43 O ATOM 25748 C5* A B1255 -912.020 -39.545 75.277 1.00855.43 C ATOM 25749 C4* A B1255 -913.047 -38.576 74.754 1.00855.43 C ATOM 25750 O4* A B1255 -913.748 -37.952 75.859 1.00855.43 O ATOM 25751 C3* A B1255 -912.447 -37.424 73.964 1.00855.43 C ATOM 25752 O3* A B1255 -912.182 -37.771 72.610 1.00855.43 O ATOM 25753 C2* A B1255 -913.483 -36.317 74.143 1.00855.43 C ATOM 25754 O2* A B1255 -914.560 -36.435 73.233 1.00855.43 O ATOM 25755 C1* A B1255 -913.981 -36.583 75.569 1.00855.43 C ATOM 25756 N9 A B1255 -913.314 -35.803 76.615 1.00855.43 N ATOM 25757 C8 A B1255 -911.967 -35.800 76.879 1.00855.43 C ATOM 25758 N7 A B1255 -911.624 -35.045 77.894 1.00855.43 N ATOM 25759 C5 A B1255 -912.824 -34.505 78.328 1.00855.43 C ATOM 25760 C6 A B1255 -913.140 -33.620 79.387 1.00855.43 C ATOM 25761 N6 A B1255 -912.236 -33.121 80.240 1.00855.43 N ATOM 25762 N1 A B1255 -914.432 -33.273 79.548 1.00855.43 N ATOM 25763 C2 A B1255 -915.335 -33.786 78.708 1.00855.43 C ATOM 25764 N3 A B1255 -915.171 -34.625 77.683 1.00855.43 N ATOM 25765 C4 A B1255 -913.877 -34.953 77.544 1.00855.43 C ATOM 25766 P C B1256 -910.832 -37.260 71.911 1.00855.43 P ATOM 25767 O1P C B1256 -910.764 -37.871 70.557 1.00855.43 O ATOM 25768 O2P C B1256 -909.704 -37.449 72.857 1.00855.43 O ATOM 25769 O5* C B1256 -911.089 -35.705 71.737 1.00855.43 O ATOM 25770 C5* C B1256 -911.311 -35.152 70.449 1.00855.43 C ATOM 25771 C4* C B1256 -911.050 -33.671 70.468 1.00855.43 C ATOM 25772 O4* C B1256 -912.128 -32.976 71.141 1.00855.43 O ATOM 25773 C3* C B1256 -909.810 -33.194 71.182 1.00855.43 C ATOM 25774 O3* C B1256 -908.692 -33.368 70.331 1.00855.43 O ATOM 25775 C2* C B1256 -910.123 -31.737 71.485 1.00855.43 C ATOM 25776 O2* C B1256 -909.859 -30.881 70.385 1.00855.43 O ATOM 25777 C1* C B1256 -911.629 -31.792 71.736 1.00855.43 C ATOM 25778 N1 C B1256 -911.972 -31.794 73.168 1.00855.43 N ATOM 25779 C2 C B1256 -911.894 -30.589 73.870 1.00855.43 C ATOM 25780 O2 C B1256 -911.523 -29.574 73.268 1.00855.43 O ATOM 25781 N3 C B1256 -912.236 -30.563 75.177 1.00855.43 N ATOM 25782 C4 C B1256 -912.633 -31.684 75.786 1.00855.43 C ATOM 25783 N4 C B1256 -912.969 -31.605 77.077 1.00855.43 N ATOM 25784 C5 C B1256 -912.701 -32.928 75.099 1.00855.43 C ATOM 25785 C6 C B1256 -912.366 -32.941 73.800 1.00855.43 C ATOM 25786 P U B1257 -907.276 -33.767 70.970 1.00855.43 P ATOM 25787 O1P U B1257 -906.320 -33.981 69.855 1.00855.43 O ATOM 25788 O2P U B1257 -907.504 -34.852 71.958 1.00855.43 O ATOM 25789 O5* U B1257 -906.852 -32.454 71.764 1.00855.43 O ATOM 25790 C5* U B1257 -906.778 -31.209 71.091 1.00855.43 C ATOM 25791 C4* U B1257 -906.557 -30.080 72.068 1.00855.43 C ATOM 25792 O4* U B1257 -907.580 -30.094 73.097 1.00855.43 O ATOM 25793 C3* U B1257 -905.263 -30.111 72.835 1.00855.43 C ATOM 25794 O3* U B1257 -904.218 -29.573 72.045 1.00855.43 O ATOM 25795 C2* U B1257 -905.574 -29.237 74.039 1.00855.43 C ATOM 25796 O2* U B1257 -905.444 -27.856 73.756 1.00855.43 O ATOM 25797 C1* U B1257 -907.036 -29.586 74.305 1.00855.43 C ATOM 25798 N1 U B1257 -907.112 -30.615 75.347 1.00855.43 N ATOM 25799 C2 U B1257 -907.147 -30.166 76.652 1.00855.43 C ATOM 25800 O2 U B1257 -907.166 -28.987 76.941 1.00855.43 O ATOM 25801 N3 U B1257 -907.153 -31.148 77.608 1.00855.43 N ATOM 25802 C4 U B1257 -907.139 -32.502 77.404 1.00855.43 C ATOM 25803 O4 U B1257 -907.129 -33.249 78.390 1.00855.43 O ATOM 25804 C5 U B1257 -907.132 -32.904 76.021 1.00855.43 C ATOM 25805 C6 U B1257 -907.122 -31.966 75.060 1.00855.43 C ATOM 25806 P G B1258 -902.852 -30.406 71.886 1.00855.43 P ATOM 25807 O1P G B1258 -902.282 -30.173 70.546 1.00855.43 O ATOM 25808 O2P G B1258 -903.124 -31.798 72.323 1.00855.43 O ATOM 25809 O5* G B1258 -901.866 -29.731 72.928 1.00855.43 O ATOM 25810 C5* G B1258 -901.234 -28.488 72.638 1.00855.43 C ATOM 25811 C4* G B1258 -900.994 -27.729 73.915 1.00855.43 C ATOM 25812 O4* G B1258 -902.229 -27.700 74.675 1.00855.43 O ATOM 25813 C3* G B1258 -899.968 -28.300 74.884 1.00855.43 C ATOM 25814 O3* G B1258 -898.645 -27.901 74.532 1.00855.43 O ATOM 25815 C2* G B1258 -900.418 -27.724 76.220 1.00855.43 C ATOM 25816 O2* G B1258 -899.961 -26.403 76.423 1.00855.43 O ATOM 25817 C1* G B1258 -901.938 -27.721 76.058 1.00855.43 C ATOM 25818 N9 G B1258 -902.570 -28.904 76.634 1.00855.43 N ATOM 25819 C8 G B1258 -902.885 -30.078 75.992 1.00855.43 C ATOM 25820 N7 G B1258 -903.441 -30.963 76.781 1.00855.43 N ATOM 25821 C5 G B1258 -903.493 -30.332 78.017 1.00855.43 C ATOM 25822 C6 G B1258 -903.990 -30.792 79.264 1.00855.43 C ATOM 25823 O6 G B1258 -904.499 -31.885 79.537 1.00855.43 O ATOM 25824 N1 G B1258 -903.846 -29.827 80.256 1.00855.43 N ATOM 25825 C2 G B1258 -903.297 -28.584 80.075 1.00855.43 C ATOM 25826 N2 G B1258 -903.250 -27.793 81.157 1.00855.43 N ATOM 25827 N3 G B1258 -902.833 -28.143 78.920 1.00855.43 N ATOM 25828 C4 G B1258 -902.962 -29.061 77.941 1.00855.43 C ATOM 25829 P A B1259 -897.393 -28.810 74.970 1.00855.43 P ATOM 25830 O1P A B1259 -896.194 -28.273 74.276 1.00855.43 O ATOM 25831 O2P A B1259 -897.765 -30.239 74.797 1.00855.43 O ATOM 25832 O5* A B1259 -897.227 -28.526 76.528 1.00855.43 O ATOM 25833 C5* A B1259 -896.961 -27.210 77.005 1.00855.43 C ATOM 25834 C4* A B1259 -897.256 -27.116 78.484 1.00855.43 C ATOM 25835 O4* A B1259 -898.613 -27.575 78.717 1.00855.43 O ATOM 25836 C3* A B1259 -896.408 -27.955 79.413 1.00855.43 C ATOM 25837 O3* A B1259 -895.205 -27.262 79.740 1.00855.43 O ATOM 25838 C2* A B1259 -897.311 -28.134 80.627 1.00855.43 C ATOM 25839 O2* A B1259 -897.271 -27.025 81.501 1.00855.43 O ATOM 25840 C1* A B1259 -898.691 -28.222 79.976 1.00855.43 C ATOM 25841 N9 A B1259 -899.084 -29.613 79.755 1.00855.43 N ATOM 25842 C8 A B1259 -899.396 -30.234 78.573 1.00855.43 C ATOM 25843 N7 A B1259 -899.691 -31.506 78.703 1.00855.43 N ATOM 25844 C5 A B1259 -899.564 -31.738 80.066 1.00855.43 C ATOM 25845 C6 A B1259 -899.739 -32.891 80.855 1.00855.43 C ATOM 25846 N6 A B1259 -900.092 -34.082 80.365 1.00855.43 N ATOM 25847 N1 A B1259 -899.532 -32.779 82.182 1.00855.43 N ATOM 25848 C2 A B1259 -899.178 -31.587 82.679 1.00855.43 C ATOM 25849 N3 A B1259 -898.984 -30.434 82.045 1.00855.43 N ATOM 25850 C4 A B1259 -899.196 -30.579 80.726 1.00855.43 C ATOM 25851 P A B1260 -893.910 -28.092 80.224 1.00855.43 P ATOM 25852 O1P A B1260 -893.024 -27.146 80.946 1.00855.43 O ATOM 25853 O2P A B1260 -893.386 -28.849 79.061 1.00855.43 O ATOM 25854 O5* A B1260 -894.477 -29.140 81.285 1.00855.43 O ATOM 25855 C5* A B1260 -894.705 -28.756 82.636 1.00855.43 C ATOM 25856 C4* A B1260 -894.634 -29.957 83.552 1.00855.43 C ATOM 25857 O4* A B1260 -895.750 -30.842 83.312 1.00855.43 O ATOM 25858 C3* A B1260 -893.381 -30.802 83.384 1.00855.43 C ATOM 25859 O3* A B1260 -892.304 -30.286 84.157 1.00855.43 O ATOM 25860 C2* A B1260 -893.842 -32.171 83.895 1.00855.43 C ATOM 25861 O2* A B1260 -893.709 -32.303 85.294 1.00855.43 O ATOM 25862 C1* A B1260 -895.332 -32.173 83.537 1.00855.43 C ATOM 25863 N9 A B1260 -895.767 -33.014 82.420 1.00855.43 N ATOM 25864 C8 A B1260 -895.874 -32.720 81.084 1.00855.43 C ATOM 25865 N7 A B1260 -896.366 -33.704 80.365 1.00855.43 N ATOM 25866 C5 A B1260 -896.583 -34.718 81.294 1.00855.43 C ATOM 25867 C6 A B1260 -897.108 -36.024 81.180 1.00855.43 C ATOM 25868 N6 A B1260 -897.559 -36.562 80.040 1.00855.43 N ATOM 25869 N1 A B1260 -897.169 -36.773 82.299 1.00855.43 N ATOM 25870 C2 A B1260 -896.749 -36.241 83.449 1.00855.43 C ATOM 25871 N3 A B1260 -896.257 -35.030 83.689 1.00855.43 N ATOM 25872 C4 A B1260 -896.201 -34.309 82.558 1.00855.43 C ATOM 25873 P G B1261 -890.786 -30.505 83.687 1.00855.43 P ATOM 25874 O1P G B1261 -890.116 -29.212 83.958 1.00855.43 O ATOM 25875 O2P G B1261 -890.790 -31.057 82.310 1.00855.43 O ATOM 25876 O5* G B1261 -890.179 -31.591 84.683 1.00855.43 O ATOM 25877 C5* G B1261 -888.879 -32.130 84.458 1.00855.43 C ATOM 25878 C4* G B1261 -888.620 -33.300 85.384 1.00855.43 C ATOM 25879 O4* G B1261 -888.709 -32.854 86.762 1.00855.43 O ATOM 25880 C3* G B1261 -889.585 -34.457 85.308 1.00855.43 C ATOM 25881 O3* G B1261 -889.191 -35.316 84.243 1.00855.43 O ATOM 25882 C2* G B1261 -889.438 -35.119 86.673 1.00855.43 C ATOM 25883 O2* G B1261 -888.333 -36.000 86.726 1.00855.43 O ATOM 25884 C1* G B1261 -889.179 -33.915 87.581 1.00855.43 C ATOM 25885 N9 G B1261 -890.394 -33.456 88.248 1.00855.43 N ATOM 25886 C8 G B1261 -891.422 -32.751 87.669 1.00855.43 C ATOM 25887 N7 G B1261 -892.380 -32.462 88.500 1.00855.43 N ATOM 25888 C5 G B1261 -891.971 -33.013 89.706 1.00855.43 C ATOM 25889 C6 G B1261 -892.607 -33.018 90.973 1.00855.43 C ATOM 25890 O6 G B1261 -893.691 -32.518 91.292 1.00855.43 O ATOM 25891 N1 G B1261 -891.849 -33.690 91.924 1.00855.43 N ATOM 25892 C2 G B1261 -890.637 -34.280 91.689 1.00855.43 C ATOM 25893 N2 G B1261 -890.072 -34.877 92.747 1.00855.43 N ATOM 25894 N3 G B1261 -890.027 -34.281 90.510 1.00855.43 N ATOM 25895 C4 G B1261 -890.748 -33.633 89.570 1.00855.43 C ATOM 25896 P U B1262 -889.996 -36.685 83.977 1.00855.43 P ATOM 25897 O1P U B1262 -889.615 -37.653 85.034 1.00855.43 O ATOM 25898 O2P U B1262 -889.813 -37.050 82.552 1.00855.43 O ATOM 25899 O5* U B1262 -891.525 -36.297 84.189 1.00855.43 O ATOM 25900 C5* U B1262 -892.437 -36.308 83.096 1.00855.43 C ATOM 25901 C4* U B1262 -893.143 -37.642 83.014 1.00855.43 C ATOM 25902 O4* U B1262 -894.236 -37.523 82.067 1.00855.43 O ATOM 25903 C3* U B1262 -892.319 -38.790 82.476 1.00855.43 C ATOM 25904 O3* U B1262 -891.540 -39.409 83.492 1.00855.43 O ATOM 25905 C2* U B1262 -893.371 -39.732 81.906 1.00855.43 C ATOM 25906 O2* U B1262 -893.963 -40.551 82.893 1.00855.43 O ATOM 25907 C1* U B1262 -894.404 -38.743 81.367 1.00855.43 C ATOM 25908 N1 U B1262 -894.203 -38.469 79.937 1.00855.43 N ATOM 25909 C2 U B1262 -894.477 -39.478 79.036 1.00855.43 C ATOM 25910 O2 U B1262 -894.892 -40.573 79.374 1.00855.43 O ATOM 25911 N3 U B1262 -894.249 -39.155 77.722 1.00855.43 N ATOM 25912 C4 U B1262 -893.788 -37.953 77.232 1.00855.43 C ATOM 25913 O4 U B1262 -893.591 -37.833 76.022 1.00855.43 O ATOM 25914 C5 U B1262 -893.539 -36.957 78.229 1.00855.43 C ATOM 25915 C6 U B1262 -893.748 -37.244 79.512 1.00855.43 C ATOM 25916 P G B1263 -890.229 -40.249 83.084 1.00855.43 P ATOM 25917 O1P G B1263 -889.212 -40.055 84.144 1.00855.43 O ATOM 25918 O2P G B1263 -889.897 -39.918 81.675 1.00855.43 O ATOM 25919 O5* G B1263 -890.706 -41.769 83.126 1.00855.43 O ATOM 25920 C5* G B1263 -890.747 -42.495 84.351 1.00855.43 C ATOM 25921 C4* G B1263 -891.135 -43.927 84.085 1.00855.43 C ATOM 25922 O4* G B1263 -892.471 -43.952 83.530 1.00855.43 O ATOM 25923 C3* G B1263 -890.255 -44.678 83.080 1.00855.43 C ATOM 25924 O3* G B1263 -889.025 -45.217 83.580 1.00855.43 O ATOM 25925 C2* G B1263 -891.212 -45.666 82.419 1.00855.43 C ATOM 25926 O2* G B1263 -891.312 -46.922 83.043 1.00855.43 O ATOM 25927 C1* G B1263 -892.553 -44.931 82.516 1.00855.43 C ATOM 25928 N9 G B1263 -893.013 -44.275 81.299 1.00855.43 N ATOM 25929 C8 G B1263 -892.323 -43.389 80.508 1.00855.43 C ATOM 25930 N7 G B1263 -893.033 -42.926 79.516 1.00855.43 N ATOM 25931 C5 G B1263 -894.261 -43.555 79.654 1.00855.43 C ATOM 25932 C6 G B1263 -895.445 -43.447 78.878 1.00855.43 C ATOM 25933 O6 G B1263 -895.656 -42.740 77.887 1.00855.43 O ATOM 25934 N1 G B1263 -896.455 -44.272 79.368 1.00855.43 N ATOM 25935 C2 G B1263 -896.341 -45.091 80.462 1.00855.43 C ATOM 25936 N2 G B1263 -897.422 -45.821 80.777 1.00855.43 N ATOM 25937 N3 G B1263 -895.252 -45.192 81.199 1.00855.43 N ATOM 25938 C4 G B1263 -894.259 -44.404 80.743 1.00855.43 C ATOM 25939 P C B1264 -889.042 -46.390 84.690 1.00855.43 P ATOM 25940 O1P C B1264 -890.295 -46.270 85.477 1.00855.43 O ATOM 25941 O2P C B1264 -887.736 -46.370 85.396 1.00855.43 O ATOM 25942 O5* C B1264 -889.116 -47.744 83.851 1.00855.43 O ATOM 25943 C5* C B1264 -888.592 -48.959 84.382 1.00855.43 C ATOM 25944 C4* C B1264 -887.791 -49.677 83.329 1.00855.43 C ATOM 25945 O4* C B1264 -886.871 -48.738 82.735 1.00855.43 O ATOM 25946 C3* C B1264 -886.931 -50.837 83.860 1.00855.43 C ATOM 25947 O3* C B1264 -887.654 -52.065 83.828 1.00855.43 O ATOM 25948 C2* C B1264 -885.753 -50.853 82.882 1.00855.43 C ATOM 25949 O2* C B1264 -886.014 -51.625 81.729 1.00855.43 O ATOM 25950 C1* C B1264 -885.644 -49.377 82.470 1.00855.43 C ATOM 25951 N1 C B1264 -884.574 -48.547 83.040 1.00855.43 N ATOM 25952 C2 C B1264 -883.271 -48.697 82.559 1.00855.43 C ATOM 25953 O2 C B1264 -883.032 -49.598 81.748 1.00855.43 O ATOM 25954 N3 C B1264 -882.303 -47.857 83.002 1.00855.43 N ATOM 25955 C4 C B1264 -882.602 -46.908 83.891 1.00855.43 C ATOM 25956 N4 C B1264 -881.634 -46.070 84.262 1.00855.43 N ATOM 25957 C5 C B1264 -883.912 -46.769 84.437 1.00855.43 C ATOM 25958 C6 C B1264 -884.858 -47.603 83.990 1.00855.43 C ATOM 25959 P G B1265 -888.670 -52.431 85.017 1.00855.43 P ATOM 25960 O1P G B1265 -888.539 -53.889 85.267 1.00855.43 O ATOM 25961 O2P G B1265 -890.002 -51.860 84.698 1.00855.43 O ATOM 25962 O5* G B1265 -888.070 -51.657 86.270 1.00855.43 O ATOM 25963 C5* G B1265 -888.475 -51.972 87.597 1.00855.43 C ATOM 25964 C4* G B1265 -887.365 -52.699 88.305 1.00855.43 C ATOM 25965 O4* G B1265 -887.247 -54.043 87.780 1.00855.43 O ATOM 25966 C3* G B1265 -885.979 -52.078 88.140 1.00855.43 C ATOM 25967 O3* G B1265 -885.723 -51.046 89.086 1.00855.43 O ATOM 25968 C2* G B1265 -885.050 -53.275 88.326 1.00855.43 C ATOM 25969 O2* G B1265 -884.813 -53.546 89.690 1.00855.43 O ATOM 25970 C1* G B1265 -885.886 -54.422 87.748 1.00855.43 C ATOM 25971 N9 G B1265 -885.571 -54.866 86.395 1.00855.43 N ATOM 25972 C8 G B1265 -885.481 -54.104 85.257 1.00855.43 C ATOM 25973 N7 G B1265 -885.254 -54.812 84.184 1.00855.43 N ATOM 25974 C5 G B1265 -885.176 -56.119 84.646 1.00855.43 C ATOM 25975 C6 G B1265 -884.963 -57.335 83.943 1.00855.43 C ATOM 25976 O6 G B1265 -884.795 -57.506 82.731 1.00855.43 O ATOM 25977 N1 G B1265 -884.959 -58.429 84.804 1.00855.43 N ATOM 25978 C2 G B1265 -885.136 -58.364 86.161 1.00855.43 C ATOM 25979 N2 G B1265 -885.103 -59.527 86.823 1.00855.43 N ATOM 25980 N3 G B1265 -885.334 -57.238 86.825 1.00855.43 N ATOM 25981 C4 G B1265 -885.349 -56.166 86.011 1.00855.43 C ATOM 25982 P G B1266 -884.600 -49.936 88.776 1.00855.43 P ATOM 25983 O1P G B1266 -884.652 -48.933 89.869 1.00855.43 O ATOM 25984 O2P G B1266 -884.753 -49.496 87.367 1.00855.43 O ATOM 25985 O5* G B1266 -883.232 -50.741 88.912 1.00855.43 O ATOM 25986 C5* G B1266 -882.167 -50.541 87.983 1.00855.43 C ATOM 25987 C4* G B1266 -881.455 -51.848 87.725 1.00855.43 C ATOM 25988 O4* G B1266 -882.347 -52.754 87.028 1.00855.43 O ATOM 25989 C3* G B1266 -880.195 -51.829 86.866 1.00855.43 C ATOM 25990 O3* G B1266 -879.039 -51.460 87.610 1.00855.43 O ATOM 25991 C2* G B1266 -880.119 -53.261 86.347 1.00855.43 C ATOM 25992 O2* G B1266 -879.511 -54.149 87.262 1.00855.43 O ATOM 25993 C1* G B1266 -881.600 -53.624 86.196 1.00855.43 C ATOM 25994 N9 G B1266 -882.095 -53.510 84.831 1.00855.43 N ATOM 25995 C8 G B1266 -882.681 -52.417 84.239 1.00855.43 C ATOM 25996 N7 G B1266 -883.024 -52.625 82.996 1.00855.43 N ATOM 25997 C5 G B1266 -882.645 -53.940 82.754 1.00855.43 C ATOM 25998 C6 G B1266 -882.766 -54.729 81.581 1.00855.43 C ATOM 25999 O6 G B1266 -883.250 -54.418 80.487 1.00855.43 O ATOM 26000 N1 G B1266 -882.250 -56.009 81.769 1.00855.43 N ATOM 26001 C2 G B1266 -881.694 -56.470 82.937 1.00855.43 C ATOM 26002 N2 G B1266 -881.252 -57.737 82.926 1.00855.43 N ATOM 26003 N3 G B1266 -881.578 -55.745 84.037 1.00855.43 N ATOM 26004 C4 G B1266 -882.071 -54.500 83.876 1.00855.43 C ATOM 26005 P A B1267 -877.580 -51.710 86.979 1.00855.43 P ATOM 26006 O1P A B1267 -877.713 -51.639 85.502 1.00855.43 O ATOM 26007 O2P A B1267 -877.001 -52.924 87.608 1.00855.43 O ATOM 26008 O5* A B1267 -876.721 -50.452 87.428 1.00855.43 O ATOM 26009 C5* A B1267 -875.634 -50.025 86.618 1.00855.43 C ATOM 26010 C4* A B1267 -875.426 -48.539 86.756 1.00855.43 C ATOM 26011 O4* A B1267 -876.646 -47.829 86.437 1.00855.43 O ATOM 26012 C3* A B1267 -875.037 -48.051 88.137 1.00855.43 C ATOM 26013 O3* A B1267 -873.625 -48.147 88.301 1.00855.43 O ATOM 26014 C2* A B1267 -875.451 -46.579 88.086 1.00855.43 C ATOM 26015 O2* A B1267 -874.444 -45.759 87.530 1.00855.43 O ATOM 26016 C1* A B1267 -876.644 -46.596 87.122 1.00855.43 C ATOM 26017 N9 A B1267 -877.967 -46.346 87.692 1.00855.43 N ATOM 26018 C8 A B1267 -878.910 -47.259 88.112 1.00855.43 C ATOM 26019 N7 A B1267 -880.030 -46.710 88.521 1.00855.43 N ATOM 26020 C5 A B1267 -879.806 -45.348 88.372 1.00855.43 C ATOM 26021 C6 A B1267 -880.608 -44.225 88.627 1.00855.43 C ATOM 26022 N6 A B1267 -881.859 -44.302 89.101 1.00855.43 N ATOM 26023 N1 A B1267 -880.085 -43.003 88.380 1.00855.43 N ATOM 26024 C2 A B1267 -878.833 -42.931 87.904 1.00855.43 C ATOM 26025 N3 A B1267 -877.981 -43.912 87.621 1.00855.43 N ATOM 26026 C4 A B1267 -878.535 -45.109 87.879 1.00855.43 C ATOM 26027 P U B1268 -872.974 -48.179 89.773 1.00855.43 P ATOM 26028 O1P U B1268 -873.671 -47.159 90.601 1.00855.43 O ATOM 26029 O2P U B1268 -871.507 -48.105 89.591 1.00855.43 O ATOM 26030 O5* U B1268 -873.300 -49.625 90.359 1.00855.43 O ATOM 26031 C5* U B1268 -872.842 -50.000 91.654 1.00855.43 C ATOM 26032 C4* U B1268 -872.822 -51.506 91.801 1.00855.43 C ATOM 26033 O4* U B1268 -872.124 -52.098 90.677 1.00855.43 O ATOM 26034 C3* U B1268 -872.062 -51.978 93.053 1.00855.43 C ATOM 26035 O3* U B1268 -872.892 -52.097 94.204 1.00855.43 O ATOM 26036 C2* U B1268 -871.507 -53.333 92.632 1.00855.43 C ATOM 26037 O2* U B1268 -872.414 -54.393 92.859 1.00855.43 O ATOM 26038 C1* U B1268 -871.273 -53.133 91.131 1.00855.43 C ATOM 26039 N1 U B1268 -869.895 -52.764 90.781 1.00855.43 N ATOM 26040 C2 U B1268 -868.991 -53.780 90.542 1.00855.43 C ATOM 26041 O2 U B1268 -869.278 -54.960 90.644 1.00855.43 O ATOM 26042 N3 U B1268 -867.735 -53.361 90.175 1.00855.43 N ATOM 26043 C4 U B1268 -867.306 -52.056 90.037 1.00855.43 C ATOM 26044 O4 U B1268 -866.154 -51.834 89.659 1.00855.43 O ATOM 26045 C5 U B1268 -868.298 -51.069 90.319 1.00855.43 C ATOM 26046 C6 U B1268 -869.527 -51.446 90.677 1.00855.43 C ATOM 26047 P G B1269 -872.447 -51.409 95.583 1.00855.43 P ATOM 26048 O1P G B1269 -870.967 -51.315 95.572 1.00855.43 O ATOM 26049 O2P G B1269 -873.130 -52.123 96.692 1.00855.43 O ATOM 26050 O5* G B1269 -873.050 -49.941 95.485 1.00855.43 O ATOM 26051 C5* G B1269 -874.122 -49.649 94.590 1.00855.43 C ATOM 26052 C4* G B1269 -874.100 -48.189 94.216 1.00855.43 C ATOM 26053 O4* G B1269 -874.780 -47.993 92.950 1.00855.43 O ATOM 26054 C3* G B1269 -874.828 -47.321 95.202 1.00855.43 C ATOM 26055 O3* G B1269 -873.879 -46.932 96.191 1.00855.43 O ATOM 26056 C2* G B1269 -875.345 -46.158 94.361 1.00855.43 C ATOM 26057 O2* G B1269 -874.382 -45.140 94.188 1.00855.43 O ATOM 26058 C1* G B1269 -875.601 -46.843 93.013 1.00855.43 C ATOM 26059 N9 G B1269 -876.975 -47.285 92.798 1.00855.43 N ATOM 26060 C8 G B1269 -877.431 -48.573 92.939 1.00855.43 C ATOM 26061 N7 G B1269 -878.702 -48.702 92.685 1.00855.43 N ATOM 26062 C5 G B1269 -879.119 -47.419 92.352 1.00855.43 C ATOM 26063 C6 G B1269 -880.399 -46.946 91.982 1.00855.43 C ATOM 26064 O6 G B1269 -881.447 -47.585 91.866 1.00855.43 O ATOM 26065 N1 G B1269 -880.387 -45.581 91.736 1.00855.43 N ATOM 26066 C2 G B1269 -879.286 -44.772 91.832 1.00855.43 C ATOM 26067 N2 G B1269 -879.506 -43.480 91.556 1.00855.43 N ATOM 26068 N3 G B1269 -878.078 -45.198 92.176 1.00855.43 N ATOM 26069 C4 G B1269 -878.066 -46.528 92.422 1.00855.43 C ATOM 26070 P C B1270 -873.827 -47.711 97.593 1.00855.43 P ATOM 26071 O1P C B1270 -872.419 -47.651 98.069 1.00855.43 O ATOM 26072 O2P C B1270 -874.498 -49.025 97.453 1.00855.43 O ATOM 26073 O5* C B1270 -874.705 -46.796 98.551 1.00855.43 O ATOM 26074 C5* C B1270 -874.418 -45.420 98.642 1.00855.43 C ATOM 26075 C4* C B1270 -875.657 -44.625 98.974 1.00855.43 C ATOM 26076 O4* C B1270 -876.443 -44.368 97.797 1.00855.43 O ATOM 26077 C3* C B1270 -876.570 -45.345 99.940 1.00855.43 C ATOM 26078 O3* C B1270 -876.202 -45.111 101.292 1.00855.43 O ATOM 26079 C2* C B1270 -877.914 -44.678 99.653 1.00855.43 C ATOM 26080 O2* C B1270 -878.048 -43.456 100.345 1.00855.43 O ATOM 26081 C1* C B1270 -877.808 -44.374 98.155 1.00855.43 C ATOM 26082 N1 C B1270 -878.467 -45.382 97.334 1.00855.43 N ATOM 26083 C2 C B1270 -879.813 -45.225 97.034 1.00855.43 C ATOM 26084 O2 C B1270 -880.407 -44.228 97.476 1.00855.43 O ATOM 26085 N3 C B1270 -880.431 -46.152 96.275 1.00855.43 N ATOM 26086 C4 C B1270 -879.748 -47.208 95.828 1.00855.43 C ATOM 26087 N4 C B1270 -880.398 -48.100 95.081 1.00855.43 N ATOM 26088 C5 C B1270 -878.369 -47.392 96.122 1.00855.43 C ATOM 26089 C6 C B1270 -877.773 -46.463 96.869 1.00855.43 C ATOM 26090 P C B1271 -876.181 -46.310 102.352 1.00855.43 P ATOM 26091 O1P C B1271 -875.058 -46.026 103.287 1.00855.43 O ATOM 26092 O2P C B1271 -876.213 -47.600 101.622 1.00855.43 O ATOM 26093 O5* C B1271 -877.539 -46.129 103.162 1.00855.43 O ATOM 26094 C5* C B1271 -877.838 -44.896 103.807 1.00855.43 C ATOM 26095 C4* C B1271 -879.324 -44.639 103.786 1.00855.43 C ATOM 26096 O4* C B1271 -879.787 -44.596 102.414 1.00855.43 O ATOM 26097 C3* C B1271 -880.199 -45.677 104.457 1.00855.43 C ATOM 26098 O3* C B1271 -880.301 -45.414 105.849 1.00855.43 O ATOM 26099 C2* C B1271 -881.537 -45.498 103.748 1.00855.43 C ATOM 26100 O2* C B1271 -882.301 -44.443 104.297 1.00855.43 O ATOM 26101 C1* C B1271 -881.098 -45.116 102.334 1.00855.43 C ATOM 26102 N1 C B1271 -881.093 -46.243 101.384 1.00855.43 N ATOM 26103 C2 C B1271 -882.210 -46.437 100.564 1.00855.43 C ATOM 26104 O2 C B1271 -883.165 -45.650 100.654 1.00855.43 O ATOM 26105 N3 C B1271 -882.220 -47.475 99.698 1.00855.43 N ATOM 26106 C4 C B1271 -881.172 -48.296 99.630 1.00855.43 C ATOM 26107 N4 C B1271 -881.231 -49.312 98.763 1.00855.43 N ATOM 26108 C5 C B1271 -880.020 -48.119 100.447 1.00855.43 C ATOM 26109 C6 C B1271 -880.023 -47.090 101.304 1.00855.43 C ATOM 26110 P G B1272 -880.713 -46.597 106.849 1.00855.43 P ATOM 26111 O1P G B1272 -880.811 -46.012 108.209 1.00855.43 O ATOM 26112 O2P G B1272 -879.802 -47.745 106.606 1.00855.43 O ATOM 26113 O5* G B1272 -882.178 -47.006 106.377 1.00855.43 O ATOM 26114 C5* G B1272 -883.318 -46.284 106.834 1.00855.43 C ATOM 26115 C4* G B1272 -884.595 -47.000 106.448 1.00855.43 C ATOM 26116 O4* G B1272 -884.801 -46.897 105.018 1.00855.43 O ATOM 26117 C3* G B1272 -884.574 -48.490 106.728 1.00855.43 C ATOM 26118 O3* G B1272 -884.955 -48.789 108.063 1.00855.43 O ATOM 26119 C2* G B1272 -885.586 -49.031 105.723 1.00855.43 C ATOM 26120 O2* G B1272 -886.917 -48.914 106.176 1.00855.43 O ATOM 26121 C1* G B1272 -885.363 -48.105 104.528 1.00855.43 C ATOM 26122 N9 G B1272 -884.439 -48.690 103.565 1.00855.43 N ATOM 26123 C8 G B1272 -883.077 -48.522 103.507 1.00855.43 C ATOM 26124 N7 G B1272 -882.518 -49.189 102.535 1.00855.43 N ATOM 26125 C5 G B1272 -883.577 -49.840 101.914 1.00855.43 C ATOM 26126 C6 G B1272 -883.591 -50.715 100.800 1.00855.43 C ATOM 26127 O6 G B1272 -882.639 -51.105 100.114 1.00855.43 O ATOM 26128 N1 G B1272 -884.878 -51.150 100.508 1.00855.43 N ATOM 26129 C2 G B1272 -886.009 -50.790 101.198 1.00855.43 C ATOM 26130 N2 G B1272 -887.163 -51.320 100.761 1.00855.43 N ATOM 26131 N3 G B1272 -886.012 -49.971 102.233 1.00855.43 N ATOM 26132 C4 G B1272 -884.770 -49.538 102.537 1.00855.43 C ATOM 26133 P G B1273 -884.245 -50.011 108.837 1.00855.43 P ATOM 26134 O1P G B1273 -884.542 -49.856 110.283 1.00855.43 O ATOM 26135 O2P G B1273 -882.835 -50.091 108.380 1.00855.43 O ATOM 26136 O5* G B1273 -885.011 -51.306 108.309 1.00855.43 O ATOM 26137 C5* G B1273 -886.415 -51.455 108.497 1.00855.43 C ATOM 26138 C4* G B1273 -886.970 -52.470 107.523 1.00855.43 C ATOM 26139 O4* G B1273 -886.741 -52.018 106.166 1.00855.43 O ATOM 26140 C3* G B1273 -886.387 -53.878 107.525 1.00855.43 C ATOM 26141 O3* G B1273 -886.925 -54.683 108.570 1.00855.43 O ATOM 26142 C2* G B1273 -886.761 -54.403 106.144 1.00855.43 C ATOM 26143 O2* G B1273 -888.077 -54.918 106.100 1.00855.43 O ATOM 26144 C1* G B1273 -886.682 -53.132 105.293 1.00855.43 C ATOM 26145 N9 G B1273 -885.446 -53.034 104.524 1.00855.43 N ATOM 26146 C8 G B1273 -884.384 -52.204 104.778 1.00855.43 C ATOM 26147 N7 G B1273 -883.411 -52.332 103.914 1.00855.43 N ATOM 26148 C5 G B1273 -883.859 -53.312 103.040 1.00855.43 C ATOM 26149 C6 G B1273 -883.237 -53.875 101.896 1.00855.43 C ATOM 26150 O6 G B1273 -882.130 -53.615 101.412 1.00855.43 O ATOM 26151 N1 G B1273 -884.041 -54.840 101.301 1.00855.43 N ATOM 26152 C2 G B1273 -885.287 -55.216 101.744 1.00855.43 C ATOM 26153 N2 G B1273 -885.903 -56.169 101.033 1.00855.43 N ATOM 26154 N3 G B1273 -885.879 -54.697 102.805 1.00855.43 N ATOM 26155 C4 G B1273 -885.115 -53.756 103.399 1.00855.43 C ATOM 26156 P C B1274 -886.106 -55.966 109.091 1.00855.43 P ATOM 26157 O1P C B1274 -886.824 -56.487 110.282 1.00855.43 O ATOM 26158 O2P C B1274 -884.673 -55.602 109.199 1.00855.43 O ATOM 26159 O5* C B1274 -886.268 -57.032 107.917 1.00855.43 O ATOM 26160 C5* C B1274 -887.537 -57.609 107.626 1.00855.43 C ATOM 26161 C4* C B1274 -887.449 -58.477 106.394 1.00855.43 C ATOM 26162 O4* C B1274 -887.032 -57.672 105.261 1.00855.43 O ATOM 26163 C3* C B1274 -886.466 -59.645 106.388 1.00855.43 C ATOM 26164 O3* C B1274 -886.944 -60.797 107.070 1.00855.43 O ATOM 26165 C2* C B1274 -886.273 -59.901 104.898 1.00855.43 C ATOM 26166 O2* C B1274 -887.304 -60.695 104.342 1.00855.43 O ATOM 26167 C1* C B1274 -886.347 -58.486 104.323 1.00855.43 C ATOM 26168 N1 C B1274 -885.017 -57.907 104.079 1.00855.43 N ATOM 26169 C2 C B1274 -884.324 -58.294 102.927 1.00855.43 C ATOM 26170 O2 C B1274 -884.854 -59.109 102.160 1.00855.43 O ATOM 26171 N3 C B1274 -883.104 -57.770 102.679 1.00855.43 N ATOM 26172 C4 C B1274 -882.567 -56.897 103.533 1.00855.43 C ATOM 26173 N4 C B1274 -881.358 -56.404 103.244 1.00855.43 N ATOM 26174 C5 C B1274 -883.245 -56.491 104.719 1.00855.43 C ATOM 26175 C6 C B1274 -884.459 -57.015 104.950 1.00855.43 C ATOM 26176 P A B1275 -885.904 -61.941 107.505 1.00855.43 P ATOM 26177 O1P A B1275 -886.561 -63.261 107.316 1.00855.43 O ATOM 26178 O2P A B1275 -885.350 -61.583 108.836 1.00855.43 O ATOM 26179 O5* A B1275 -884.742 -61.805 106.430 1.00855.43 O ATOM 26180 C5* A B1275 -883.826 -62.865 106.185 1.00855.43 C ATOM 26181 C4* A B1275 -883.305 -62.769 104.775 1.00855.43 C ATOM 26182 O4* A B1275 -882.955 -61.393 104.492 1.00855.43 O ATOM 26183 C3* A B1275 -882.050 -63.559 104.494 1.00855.43 C ATOM 26184 O3* A B1275 -882.390 -64.899 104.164 1.00855.43 O ATOM 26185 C2* A B1275 -881.420 -62.795 103.335 1.00855.43 C ATOM 26186 O2* A B1275 -881.962 -63.165 102.081 1.00855.43 O ATOM 26187 C1* A B1275 -881.814 -61.351 103.660 1.00855.43 C ATOM 26188 N9 A B1275 -880.781 -60.622 104.392 1.00855.43 N ATOM 26189 C8 A B1275 -880.853 -60.196 105.696 1.00855.43 C ATOM 26190 N7 A B1275 -879.776 -59.575 106.107 1.00855.43 N ATOM 26191 C5 A B1275 -878.941 -59.585 105.000 1.00855.43 C ATOM 26192 C6 A B1275 -877.647 -59.083 104.791 1.00855.43 C ATOM 26193 N6 A B1275 -876.938 -58.451 105.728 1.00855.43 N ATOM 26194 N1 A B1275 -877.095 -59.256 103.569 1.00855.43 N ATOM 26195 C2 A B1275 -877.807 -59.893 102.631 1.00855.43 C ATOM 26196 N3 A B1275 -879.031 -60.413 102.707 1.00855.43 N ATOM 26197 C4 A B1275 -879.549 -60.222 103.933 1.00855.43 C ATOM 26198 P U B1276 -882.570 -65.979 105.337 1.00855.43 P ATOM 26199 O1P U B1276 -883.902 -66.616 105.166 1.00855.43 O ATOM 26200 O2P U B1276 -882.229 -65.332 106.630 1.00855.43 O ATOM 26201 O5* U B1276 -881.457 -67.073 105.025 1.00855.43 O ATOM 26202 C5* U B1276 -881.337 -67.644 103.728 1.00855.43 C ATOM 26203 C4* U B1276 -879.960 -67.376 103.180 1.00855.43 C ATOM 26204 O4* U B1276 -879.769 -65.945 103.050 1.00855.43 O ATOM 26205 C3* U B1276 -878.816 -67.848 104.062 1.00855.43 C ATOM 26206 O3* U B1276 -878.469 -69.203 103.793 1.00855.43 O ATOM 26207 C2* U B1276 -877.684 -66.916 103.666 1.00855.43 C ATOM 26208 O2* U B1276 -877.047 -67.392 102.498 1.00855.43 O ATOM 26209 C1* U B1276 -878.426 -65.613 103.354 1.00855.43 C ATOM 26210 N1 U B1276 -878.435 -64.605 104.432 1.00855.43 N ATOM 26211 C2 U B1276 -877.810 -63.382 104.212 1.00855.43 C ATOM 26212 O2 U B1276 -877.222 -63.105 103.195 1.00855.43 O ATOM 26213 N3 U B1276 -877.900 -62.489 105.249 1.00855.43 N ATOM 26214 C4 U B1276 -878.530 -62.681 106.453 1.00855.43 C ATOM 26215 O4 U B1276 -878.549 -61.761 107.275 1.00855.43 O ATOM 26216 C5 U B1276 -879.138 -63.965 106.615 1.00855.43 C ATOM 26217 C6 U B1276 -879.071 -64.860 105.624 1.00855.43 C ATOM 26218 P G B1277 -877.635 -70.043 104.879 1.00855.43 P ATOM 26219 O1P G B1277 -877.523 -71.437 104.371 1.00855.43 O ATOM 26220 O2P G B1277 -878.225 -69.793 106.218 1.00855.43 O ATOM 26221 O5* G B1277 -876.186 -69.397 104.864 1.00855.43 O ATOM 26222 C5* G B1277 -875.272 -69.675 103.819 1.00855.43 C ATOM 26223 C4* G B1277 -873.902 -69.189 104.202 1.00855.43 C ATOM 26224 O4* G B1277 -873.898 -67.739 104.168 1.00855.43 O ATOM 26225 C3* G B1277 -873.423 -69.518 105.598 1.00855.43 C ATOM 26226 O3* G B1277 -872.889 -70.832 105.688 1.00855.43 O ATOM 26227 C2* G B1277 -872.379 -68.444 105.864 1.00855.43 C ATOM 26228 O2* G B1277 -871.120 -68.760 105.306 1.00855.43 O ATOM 26229 C1* G B1277 -872.976 -67.244 105.126 1.00855.43 C ATOM 26230 N9 G B1277 -873.684 -66.340 106.027 1.00855.43 N ATOM 26231 C8 G B1277 -874.115 -66.604 107.307 1.00855.43 C ATOM 26232 N7 G B1277 -874.689 -65.581 107.875 1.00855.43 N ATOM 26233 C5 G B1277 -874.640 -64.580 106.915 1.00855.43 C ATOM 26234 C6 G B1277 -875.101 -63.240 106.954 1.00855.43 C ATOM 26235 O6 G B1277 -875.663 -62.643 107.883 1.00855.43 O ATOM 26236 N1 G B1277 -874.851 -62.577 105.758 1.00855.43 N ATOM 26237 C2 G B1277 -874.234 -63.129 104.664 1.00855.43 C ATOM 26238 N2 G B1277 -874.087 -62.324 103.601 1.00855.43 N ATOM 26239 N3 G B1277 -873.797 -64.374 104.613 1.00855.43 N ATOM 26240 C4 G B1277 -874.031 -65.038 105.765 1.00855.43 C ATOM 26241 P A B1278 -872.967 -71.626 107.088 1.00855.43 P ATOM 26242 O1P A B1278 -872.918 -70.610 108.172 1.00855.43 O ATOM 26243 O2P A B1278 -871.963 -72.719 107.064 1.00855.43 O ATOM 26244 O5* A B1278 -874.424 -72.276 107.085 1.00855.43 O ATOM 26245 C5* A B1278 -874.736 -73.363 107.951 1.00855.43 C ATOM 26246 C4* A B1278 -875.909 -73.010 108.840 1.00855.43 C ATOM 26247 O4* A B1278 -875.622 -71.783 109.552 1.00855.43 O ATOM 26248 C3* A B1278 -877.224 -72.745 108.140 1.00855.43 C ATOM 26249 O3* A B1278 -877.948 -73.907 107.704 1.00855.43 O ATOM 26250 C2* A B1278 -877.975 -71.783 109.069 1.00855.43 C ATOM 26251 O2* A B1278 -878.845 -72.378 110.004 1.00855.43 O ATOM 26252 C1* A B1278 -876.832 -71.109 109.835 1.00855.43 C ATOM 26253 N9 A B1278 -876.639 -69.672 109.619 1.00855.43 N ATOM 26254 C8 A B1278 -875.511 -68.940 109.888 1.00855.43 C ATOM 26255 N7 A B1278 -875.644 -67.660 109.647 1.00855.43 N ATOM 26256 C5 A B1278 -876.946 -67.542 109.179 1.00855.43 C ATOM 26257 C6 A B1278 -877.703 -66.435 108.757 1.00855.43 C ATOM 26258 N6 A B1278 -877.241 -65.181 108.756 1.00855.43 N ATOM 26259 N1 A B1278 -878.969 -66.660 108.341 1.00855.43 N ATOM 26260 C2 A B1278 -879.432 -67.916 108.360 1.00855.43 C ATOM 26261 N3 A B1278 -878.822 -69.035 108.738 1.00855.43 N ATOM 26262 C4 A B1278 -877.565 -68.778 109.144 1.00855.43 C ATOM 26263 P G B1279 -878.554 -74.941 108.785 1.00855.43 P ATOM 26264 O1P G B1279 -878.464 -76.294 108.182 1.00855.43 O ATOM 26265 O2P G B1279 -879.865 -74.446 109.275 1.00855.43 O ATOM 26266 O5* G B1279 -877.500 -74.880 109.976 1.00855.43 O ATOM 26267 C5* G B1279 -877.834 -75.283 111.302 1.00855.43 C ATOM 26268 C4* G B1279 -877.171 -74.351 112.289 1.00855.43 C ATOM 26269 O4* G B1279 -877.696 -73.017 112.140 1.00855.43 O ATOM 26270 C3* G B1279 -877.255 -74.695 113.777 1.00855.43 C ATOM 26271 O3* G B1279 -876.283 -75.688 114.124 1.00855.43 O ATOM 26272 C2* G B1279 -877.046 -73.321 114.424 1.00855.43 C ATOM 26273 O2* G B1279 -875.685 -72.995 114.607 1.00855.43 O ATOM 26274 C1* G B1279 -877.648 -72.361 113.387 1.00855.43 C ATOM 26275 N9 G B1279 -878.956 -71.772 113.659 1.00855.43 N ATOM 26276 C8 G B1279 -880.062 -72.396 114.173 1.00855.43 C ATOM 26277 N7 G B1279 -881.095 -71.602 114.278 1.00855.43 N ATOM 26278 C5 G B1279 -880.636 -70.379 113.805 1.00855.43 C ATOM 26279 C6 G B1279 -881.309 -69.132 113.671 1.00855.43 C ATOM 26280 O6 G B1279 -882.479 -68.852 113.954 1.00855.43 O ATOM 26281 N1 G B1279 -880.467 -68.159 113.147 1.00855.43 N ATOM 26282 C2 G B1279 -879.154 -68.354 112.796 1.00855.43 C ATOM 26283 N2 G B1279 -878.509 -67.288 112.306 1.00855.43 N ATOM 26284 N3 G B1279 -878.520 -69.506 112.918 1.00855.43 N ATOM 26285 C4 G B1279 -879.318 -70.470 113.425 1.00855.43 C ATOM 26286 P U B1280 -875.847 -75.939 115.655 1.00855.43 P ATOM 26287 O1P U B1280 -875.193 -77.270 115.677 1.00855.43 O ATOM 26288 O2P U B1280 -876.961 -75.660 116.595 1.00855.43 O ATOM 26289 O5* U B1280 -874.707 -74.843 115.875 1.00855.43 O ATOM 26290 C5* U B1280 -873.336 -75.239 115.959 1.00855.43 C ATOM 26291 C4* U B1280 -872.706 -75.354 114.581 1.00855.43 C ATOM 26292 O4* U B1280 -873.335 -74.423 113.661 1.00855.43 O ATOM 26293 C3* U B1280 -871.239 -74.968 114.461 1.00855.43 C ATOM 26294 O3* U B1280 -870.393 -76.059 114.806 1.00855.43 O ATOM 26295 C2* U B1280 -871.055 -74.637 112.981 1.00855.43 C ATOM 26296 O2* U B1280 -870.713 -75.773 112.214 1.00855.43 O ATOM 26297 C1* U B1280 -872.452 -74.162 112.579 1.00855.43 C ATOM 26298 N1 U B1280 -872.515 -72.735 112.232 1.00855.43 N ATOM 26299 C2 U B1280 -872.011 -72.350 110.999 1.00855.43 C ATOM 26300 O2 U B1280 -871.526 -73.136 110.202 1.00855.43 O ATOM 26301 N3 U B1280 -872.093 -71.007 110.734 1.00855.43 N ATOM 26302 C4 U B1280 -872.622 -70.032 111.544 1.00855.43 C ATOM 26303 O4 U B1280 -872.638 -68.863 111.152 1.00855.43 O ATOM 26304 C5 U B1280 -873.126 -70.505 112.795 1.00855.43 C ATOM 26305 C6 U B1280 -873.055 -71.808 113.089 1.00855.43 C ATOM 26306 P A B1281 -869.028 -75.797 115.619 1.00855.43 P ATOM 26307 O1P A B1281 -868.097 -76.885 115.229 1.00855.43 O ATOM 26308 O2P A B1281 -869.357 -75.589 117.051 1.00855.43 O ATOM 26309 O5* A B1281 -868.441 -74.432 115.030 1.00855.43 O ATOM 26310 C5* A B1281 -867.074 -74.346 114.640 1.00855.43 C ATOM 26311 C4* A B1281 -866.512 -72.957 114.884 1.00855.43 C ATOM 26312 O4* A B1281 -867.126 -71.985 113.995 1.00855.43 O ATOM 26313 C3* A B1281 -866.692 -72.377 116.270 1.00855.43 C ATOM 26314 O3* A B1281 -865.661 -72.828 117.138 1.00855.43 O ATOM 26315 C2* A B1281 -866.538 -70.880 116.027 1.00855.43 C ATOM 26316 O2* A B1281 -865.185 -70.466 116.024 1.00855.43 O ATOM 26317 C1* A B1281 -867.122 -70.714 114.624 1.00855.43 C ATOM 26318 N9 A B1281 -868.484 -70.184 114.675 1.00855.43 N ATOM 26319 C8 A B1281 -869.681 -70.855 114.665 1.00855.43 C ATOM 26320 N7 A B1281 -870.726 -70.065 114.753 1.00855.43 N ATOM 26321 C5 A B1281 -870.179 -68.793 114.818 1.00855.43 C ATOM 26322 C6 A B1281 -870.759 -67.515 114.925 1.00855.43 C ATOM 26323 N6 A B1281 -872.074 -67.302 114.992 1.00855.43 N ATOM 26324 N1 A B1281 -869.931 -66.451 114.964 1.00855.43 N ATOM 26325 C2 A B1281 -868.608 -66.664 114.902 1.00855.43 C ATOM 26326 N3 A B1281 -867.945 -67.814 114.801 1.00855.43 N ATOM 26327 C4 A B1281 -868.800 -68.850 114.763 1.00855.43 C ATOM 26328 P A B1282 -865.986 -73.091 118.694 1.00855.43 P ATOM 26329 O1P A B1282 -864.782 -73.712 119.299 1.00855.43 O ATOM 26330 O2P A B1282 -867.294 -73.790 118.783 1.00855.43 O ATOM 26331 O5* A B1282 -866.163 -71.637 119.324 1.00855.43 O ATOM 26332 C5* A B1282 -865.150 -70.641 119.177 1.00855.43 C ATOM 26333 C4* A B1282 -865.747 -69.254 119.280 1.00855.43 C ATOM 26334 O4* A B1282 -866.823 -69.121 118.316 1.00855.43 O ATOM 26335 C3* A B1282 -866.378 -68.934 120.621 1.00855.43 C ATOM 26336 O3* A B1282 -865.402 -68.407 121.519 1.00855.43 O ATOM 26337 C2* A B1282 -867.442 -67.904 120.265 1.00855.43 C ATOM 26338 O2* A B1282 -866.917 -66.594 120.165 1.00855.43 O ATOM 26339 C1* A B1282 -867.889 -68.384 118.884 1.00855.43 C ATOM 26340 N9 A B1282 -869.052 -69.264 118.969 1.00855.43 N ATOM 26341 C8 A B1282 -869.080 -70.582 119.355 1.00855.43 C ATOM 26342 N7 A B1282 -870.281 -71.108 119.358 1.00855.43 N ATOM 26343 C5 A B1282 -871.100 -70.067 118.939 1.00855.43 C ATOM 26344 C6 A B1282 -872.487 -69.978 118.737 1.00855.43 C ATOM 26345 N6 A B1282 -873.333 -70.990 118.950 1.00855.43 N ATOM 26346 N1 A B1282 -872.987 -68.799 118.313 1.00855.43 N ATOM 26347 C2 A B1282 -872.141 -67.780 118.108 1.00855.43 C ATOM 26348 N3 A B1282 -870.820 -67.740 118.269 1.00855.43 N ATOM 26349 C4 A B1282 -870.358 -68.929 118.691 1.00855.43 C ATOM 26350 P C B1283 -865.548 -68.677 123.098 1.00855.43 P ATOM 26351 O1P C B1283 -864.265 -68.288 123.734 1.00855.43 O ATOM 26352 O2P C B1283 -866.070 -70.055 123.280 1.00855.43 O ATOM 26353 O5* C B1283 -866.674 -67.654 123.577 1.00855.43 O ATOM 26354 C5* C B1283 -866.342 -66.498 124.341 1.00855.43 C ATOM 26355 C4* C B1283 -867.391 -66.253 125.406 1.00855.43 C ATOM 26356 O4* C B1283 -868.632 -65.871 124.753 1.00855.43 O ATOM 26357 C3* C B1283 -867.755 -67.455 126.265 1.00855.43 C ATOM 26358 O3* C B1283 -866.920 -67.565 127.415 1.00855.43 O ATOM 26359 C2* C B1283 -869.187 -67.142 126.691 1.00855.43 C ATOM 26360 O2* C B1283 -869.237 -66.277 127.805 1.00855.43 O ATOM 26361 C1* C B1283 -869.731 -66.411 125.461 1.00855.43 C ATOM 26362 N1 C B1283 -870.475 -67.294 124.551 1.00855.43 N ATOM 26363 C2 C B1283 -871.830 -67.549 124.807 1.00855.43 C ATOM 26364 O2 C B1283 -872.365 -67.021 125.794 1.00855.43 O ATOM 26365 N3 C B1283 -872.519 -68.360 123.976 1.00855.43 N ATOM 26366 C4 C B1283 -871.909 -68.910 122.925 1.00855.43 C ATOM 26367 N4 C B1283 -872.625 -69.706 122.130 1.00855.43 N ATOM 26368 C5 C B1283 -870.530 -68.671 122.640 1.00855.43 C ATOM 26369 C6 C B1283 -869.861 -67.864 123.473 1.00855.43 C ATOM 26370 P G B1284 -865.396 -68.041 127.254 1.00855.43 P ATOM 26371 O1P G B1284 -865.325 -68.976 126.102 1.00855.43 O ATOM 26372 O2P G B1284 -864.899 -68.478 128.584 1.00855.43 O ATOM 26373 O5* G B1284 -864.643 -66.697 126.858 1.00855.43 O ATOM 26374 C5* G B1284 -863.241 -66.678 126.608 1.00855.43 C ATOM 26375 C4* G B1284 -862.736 -65.258 126.637 1.00855.43 C ATOM 26376 O4* G B1284 -863.413 -64.484 125.611 1.00855.43 O ATOM 26377 C3* G B1284 -862.989 -64.492 127.929 1.00855.43 C ATOM 26378 O3* G B1284 -861.982 -64.763 128.902 1.00855.43 O ATOM 26379 C2* G B1284 -862.991 -63.038 127.461 1.00855.43 C ATOM 26380 O2* G B1284 -861.690 -62.497 127.363 1.00855.43 O ATOM 26381 C1* G B1284 -863.602 -63.154 126.062 1.00855.43 C ATOM 26382 N9 G B1284 -865.032 -62.852 126.036 1.00855.43 N ATOM 26383 C8 G B1284 -866.005 -63.360 126.860 1.00855.43 C ATOM 26384 N7 G B1284 -867.190 -62.868 126.618 1.00855.43 N ATOM 26385 C5 G B1284 -866.989 -61.988 125.563 1.00855.43 C ATOM 26386 C6 G B1284 -867.906 -61.148 124.872 1.00855.43 C ATOM 26387 O6 G B1284 -869.120 -61.013 125.064 1.00855.43 O ATOM 26388 N1 G B1284 -867.279 -60.424 123.869 1.00855.43 N ATOM 26389 C2 G B1284 -865.941 -60.487 123.567 1.00855.43 C ATOM 26390 N2 G B1284 -865.524 -59.701 122.564 1.00855.43 N ATOM 26391 N3 G B1284 -865.075 -61.260 124.202 1.00855.43 N ATOM 26392 C4 G B1284 -865.663 -61.978 125.181 1.00855.43 C ATOM 26393 P A B1285 -862.238 -64.377 130.443 1.00855.43 P ATOM 26394 O1P A B1285 -863.242 -65.331 130.975 1.00855.43 O ATOM 26395 O2P A B1285 -862.496 -62.917 130.524 1.00855.43 O ATOM 26396 O5* A B1285 -860.843 -64.681 131.156 1.00855.43 O ATOM 26397 C5* A B1285 -859.694 -63.873 130.902 1.00855.43 C ATOM 26398 C4* A B1285 -859.189 -64.117 129.495 1.00855.43 C ATOM 26399 O4* A B1285 -858.111 -63.207 129.187 1.00855.43 O ATOM 26400 C3* A B1285 -858.649 -65.502 129.184 1.00855.43 C ATOM 26401 O3* A B1285 -859.740 -66.362 128.861 1.00855.43 O ATOM 26402 C2* A B1285 -857.753 -65.238 127.973 1.00855.43 C ATOM 26403 O2* A B1285 -858.467 -65.252 126.754 1.00855.43 O ATOM 26404 C1* A B1285 -857.255 -63.814 128.242 1.00855.43 C ATOM 26405 N9 A B1285 -855.867 -63.704 128.691 1.00855.43 N ATOM 26406 C8 A B1285 -855.294 -64.143 129.859 1.00855.43 C ATOM 26407 N7 A B1285 -854.007 -63.895 129.939 1.00855.43 N ATOM 26408 C5 A B1285 -853.719 -63.245 128.748 1.00855.43 C ATOM 26409 C6 A B1285 -852.522 -62.723 128.217 1.00855.43 C ATOM 26410 N6 A B1285 -851.347 -62.775 128.844 1.00855.43 N ATOM 26411 N1 A B1285 -852.580 -62.135 127.003 1.00855.43 N ATOM 26412 C2 A B1285 -853.760 -62.085 126.369 1.00855.43 C ATOM 26413 N3 A B1285 -854.946 -62.541 126.762 1.00855.43 N ATOM 26414 C4 A B1285 -854.854 -63.117 127.975 1.00855.43 C ATOM 26415 P U B1286 -859.485 -67.933 128.621 1.00855.43 P ATOM 26416 O1P U B1286 -858.691 -68.068 127.376 1.00855.43 O ATOM 26417 O2P U B1286 -860.791 -68.631 128.736 1.00855.43 O ATOM 26418 O5* U B1286 -858.576 -68.389 129.848 1.00855.43 O ATOM 26419 C5* U B1286 -859.156 -68.713 131.105 1.00855.43 C ATOM 26420 C4* U B1286 -858.626 -70.035 131.609 1.00855.43 C ATOM 26421 O4* U B1286 -859.156 -71.110 130.790 1.00855.43 O ATOM 26422 C3* U B1286 -857.132 -70.257 131.551 1.00855.43 C ATOM 26423 O3* U B1286 -856.508 -69.651 132.679 1.00855.43 O ATOM 26424 C2* U B1286 -857.001 -71.776 131.562 1.00855.43 C ATOM 26425 O2* U B1286 -857.044 -72.317 132.868 1.00855.43 O ATOM 26426 C1* U B1286 -858.255 -72.206 130.796 1.00855.43 C ATOM 26427 N1 U B1286 -857.971 -72.573 129.402 1.00855.43 N ATOM 26428 C2 U B1286 -857.118 -73.639 129.175 1.00855.43 C ATOM 26429 O2 U B1286 -856.612 -74.284 130.079 1.00855.43 O ATOM 26430 N3 U B1286 -856.886 -73.922 127.852 1.00855.43 N ATOM 26431 C4 U B1286 -857.405 -73.261 126.756 1.00855.43 C ATOM 26432 O4 U B1286 -857.093 -73.630 125.622 1.00855.43 O ATOM 26433 C5 U B1286 -858.278 -72.175 127.075 1.00855.43 C ATOM 26434 C6 U B1286 -858.524 -71.876 128.355 1.00855.43 C ATOM 26435 P A B1287 -854.906 -69.600 132.766 1.00855.43 P ATOM 26436 O1P A B1287 -854.431 -68.761 131.636 1.00855.43 O ATOM 26437 O2P A B1287 -854.402 -70.991 132.910 1.00855.43 O ATOM 26438 O5* A B1287 -854.611 -68.819 134.124 1.00855.43 O ATOM 26439 C5* A B1287 -854.205 -69.522 135.294 1.00855.43 C ATOM 26440 C4* A B1287 -855.045 -69.104 136.475 1.00855.43 C ATOM 26441 O4* A B1287 -854.965 -67.673 136.682 1.00855.43 O ATOM 26442 C3* A B1287 -856.530 -69.405 136.366 1.00855.43 C ATOM 26443 O3* A B1287 -856.813 -70.745 136.736 1.00855.43 O ATOM 26444 C2* A B1287 -857.145 -68.394 137.330 1.00855.43 C ATOM 26445 O2* A B1287 -857.131 -68.838 138.671 1.00855.43 O ATOM 26446 C1* A B1287 -856.202 -67.197 137.180 1.00855.43 C ATOM 26447 N9 A B1287 -856.719 -66.177 136.266 1.00855.43 N ATOM 26448 C8 A B1287 -856.376 -65.939 134.959 1.00855.43 C ATOM 26449 N7 A B1287 -857.034 -64.941 134.418 1.00855.43 N ATOM 26450 C5 A B1287 -857.862 -64.494 135.437 1.00855.43 C ATOM 26451 C6 A B1287 -858.803 -63.454 135.507 1.00855.43 C ATOM 26452 N6 A B1287 -859.090 -62.643 134.485 1.00855.43 N ATOM 26453 N1 A B1287 -859.448 -63.271 136.678 1.00855.43 N ATOM 26454 C2 A B1287 -859.161 -64.082 137.702 1.00855.43 C ATOM 26455 N3 A B1287 -858.301 -65.092 137.763 1.00855.43 N ATOM 26456 C4 A B1287 -857.674 -65.245 136.582 1.00855.43 C ATOM 26457 P A B1288 -858.118 -71.439 137.317 1.00854.87 P ATOM 26458 O1P A B1288 -857.950 -72.803 136.751 1.00854.87 O ATOM 26459 O2P A B1288 -858.915 -70.430 136.578 1.00854.87 O ATOM 26460 O5* A B1288 -858.729 -71.587 138.781 1.00854.87 O ATOM 26461 C5* A B1288 -860.130 -71.475 138.995 1.00854.87 C ATOM 26462 C4* A B1288 -860.751 -72.848 139.075 1.00854.87 C ATOM 26463 O4* A B1288 -859.780 -73.798 139.575 1.00854.87 O ATOM 26464 C3* A B1288 -861.938 -73.012 139.998 1.00854.87 C ATOM 26465 O3* A B1288 -863.138 -72.584 139.349 1.00854.87 O ATOM 26466 C2* A B1288 -861.939 -74.506 140.315 1.00854.87 C ATOM 26467 O2* A B1288 -862.640 -75.265 139.350 1.00854.87 O ATOM 26468 C1* A B1288 -860.447 -74.855 140.233 1.00854.87 C ATOM 26469 N9 A B1288 -859.780 -75.098 141.510 1.00854.87 N ATOM 26470 C8 A B1288 -859.742 -74.273 142.608 1.00854.87 C ATOM 26471 N7 A B1288 -859.026 -74.744 143.598 1.00854.87 N ATOM 26472 C5 A B1288 -858.567 -75.965 143.129 1.00854.87 C ATOM 26473 C6 A B1288 -857.748 -76.955 143.700 1.00854.87 C ATOM 26474 N6 A B1288 -857.216 -76.861 144.919 1.00854.87 N ATOM 26475 N1 A B1288 -857.488 -78.057 142.967 1.00854.87 N ATOM 26476 C2 A B1288 -858.016 -78.151 141.742 1.00854.87 C ATOM 26477 N3 A B1288 -858.791 -77.285 141.091 1.00854.87 N ATOM 26478 C4 A B1288 -859.035 -76.203 141.847 1.00854.87 C ATOM 26479 P A B1289 -864.207 -71.683 140.146 1.00854.87 P ATOM 26480 O1P A B1289 -864.633 -70.597 139.227 1.00854.87 O ATOM 26481 O2P A B1289 -863.644 -71.341 141.478 1.00854.87 O ATOM 26482 O5* A B1289 -865.439 -72.666 140.354 1.00854.87 O ATOM 26483 C5* A B1289 -865.486 -73.911 139.666 1.00854.87 C ATOM 26484 C4* A B1289 -865.576 -75.047 140.658 1.00854.87 C ATOM 26485 O4* A B1289 -864.572 -74.862 141.686 1.00854.87 O ATOM 26486 C3* A B1289 -866.885 -75.196 141.429 1.00854.87 C ATOM 26487 O3* A B1289 -867.895 -75.885 140.700 1.00854.87 O ATOM 26488 C2* A B1289 -866.445 -75.955 142.675 1.00854.87 C ATOM 26489 O2* A B1289 -866.340 -77.347 142.453 1.00854.87 O ATOM 26490 C1* A B1289 -865.043 -75.386 142.913 1.00854.87 C ATOM 26491 N9 A B1289 -865.001 -74.323 143.915 1.00854.87 N ATOM 26492 C8 A B1289 -864.674 -73.002 143.742 1.00854.87 C ATOM 26493 N7 A B1289 -864.718 -72.292 144.844 1.00854.87 N ATOM 26494 C5 A B1289 -865.107 -73.212 145.810 1.00854.87 C ATOM 26495 C6 A B1289 -865.333 -73.090 147.192 1.00854.87 C ATOM 26496 N6 A B1289 -865.200 -71.946 147.869 1.00854.87 N ATOM 26497 N1 A B1289 -865.712 -74.199 147.865 1.00854.87 N ATOM 26498 C2 A B1289 -865.846 -75.346 147.188 1.00854.87 C ATOM 26499 N3 A B1289 -865.659 -75.585 145.891 1.00854.87 N ATOM 26500 C4 A B1289 -865.286 -74.462 145.252 1.00854.87 C ATOM 26501 P A B1290 -869.428 -75.804 141.176 1.00854.87 P ATOM 26502 O1P A B1290 -870.245 -76.452 140.118 1.00854.87 O ATOM 26503 O2P A B1290 -869.725 -74.407 141.584 1.00854.87 O ATOM 26504 O5* A B1290 -869.470 -76.731 142.470 1.00854.87 O ATOM 26505 C5* A B1290 -869.265 -78.136 142.357 1.00854.87 C ATOM 26506 C4* A B1290 -869.580 -78.819 143.667 1.00854.87 C ATOM 26507 O4* A B1290 -868.627 -78.429 144.690 1.00854.87 O ATOM 26508 C3* A B1290 -870.937 -78.596 144.319 1.00854.87 C ATOM 26509 O3* A B1290 -871.991 -79.337 143.714 1.00854.87 O ATOM 26510 C2* A B1290 -870.674 -79.007 145.765 1.00854.87 C ATOM 26511 O2* A B1290 -870.724 -80.405 145.964 1.00854.87 O ATOM 26512 C1* A B1290 -869.237 -78.523 145.966 1.00854.87 C ATOM 26513 N9 A B1290 -869.194 -77.208 146.609 1.00854.87 N ATOM 26514 C8 A B1290 -868.989 -75.985 146.025 1.00854.87 C ATOM 26515 N7 A B1290 -869.027 -74.983 146.868 1.00854.87 N ATOM 26516 C5 A B1290 -869.269 -75.589 148.095 1.00854.87 C ATOM 26517 C6 A B1290 -869.416 -75.069 149.395 1.00854.87 C ATOM 26518 N6 A B1290 -869.345 -73.768 149.685 1.00854.87 N ATOM 26519 N1 A B1290 -869.645 -75.945 150.399 1.00854.87 N ATOM 26520 C2 A B1290 -869.720 -77.250 150.105 1.00854.87 C ATOM 26521 N3 A B1290 -869.597 -77.860 148.927 1.00854.87 N ATOM 26522 C4 A B1290 -869.370 -76.960 147.950 1.00854.87 C ATOM 26523 P G B1291 -873.477 -78.723 143.706 1.00854.87 P ATOM 26524 O1P G B1291 -874.390 -79.762 143.173 1.00854.87 O ATOM 26525 O2P G B1291 -873.432 -77.390 143.066 1.00854.87 O ATOM 26526 O5* G B1291 -873.787 -78.525 145.255 1.00854.87 O ATOM 26527 C5* G B1291 -873.936 -79.660 146.093 1.00854.87 C ATOM 26528 C4* G B1291 -874.048 -79.258 147.544 1.00854.87 C ATOM 26529 O4* G B1291 -872.949 -78.389 147.891 1.00854.87 O ATOM 26530 C3* G B1291 -875.273 -78.476 147.991 1.00854.87 C ATOM 26531 O3* G B1291 -876.420 -79.297 148.179 1.00854.87 O ATOM 26532 C2* G B1291 -874.797 -77.857 149.297 1.00854.87 C ATOM 26533 O2* G B1291 -874.886 -78.754 150.386 1.00854.87 O ATOM 26534 C1* G B1291 -873.324 -77.577 148.984 1.00854.87 C ATOM 26535 N9 G B1291 -873.119 -76.191 148.584 1.00854.87 N ATOM 26536 C8 G B1291 -873.139 -75.690 147.305 1.00854.87 C ATOM 26537 N7 G B1291 -872.943 -74.403 147.259 1.00854.87 N ATOM 26538 C5 G B1291 -872.781 -74.037 148.588 1.00854.87 C ATOM 26539 C6 G B1291 -872.539 -72.767 149.165 1.00854.87 C ATOM 26540 O6 G B1291 -872.418 -71.675 148.599 1.00854.87 O ATOM 26541 N1 G B1291 -872.442 -72.847 150.551 1.00854.87 N ATOM 26542 C2 G B1291 -872.562 -74.001 151.287 1.00854.87 C ATOM 26543 N2 G B1291 -872.437 -73.874 152.614 1.00854.87 N ATOM 26544 N3 G B1291 -872.787 -75.189 150.759 1.00854.87 N ATOM 26545 C4 G B1291 -872.887 -75.133 149.415 1.00854.87 C ATOM 26546 P A B1292 -877.864 -78.616 148.375 1.00854.87 P ATOM 26547 O1P A B1292 -878.889 -79.683 148.229 1.00854.87 O ATOM 26548 O2P A B1292 -877.936 -77.411 147.511 1.00854.87 O ATOM 26549 O5* A B1292 -877.859 -78.147 149.895 1.00854.87 O ATOM 26550 C5* A B1292 -877.871 -79.106 150.945 1.00854.87 C ATOM 26551 C4* A B1292 -877.800 -78.423 152.292 1.00854.87 C ATOM 26552 O4* A B1292 -876.527 -77.749 152.453 1.00854.87 O ATOM 26553 C3* A B1292 -878.843 -77.346 152.538 1.00854.87 C ATOM 26554 O3* A B1292 -880.078 -77.907 152.957 1.00854.87 O ATOM 26555 C2* A B1292 -878.188 -76.497 153.618 1.00854.87 C ATOM 26556 O2* A B1292 -878.358 -77.034 154.917 1.00854.87 O ATOM 26557 C1* A B1292 -876.711 -76.570 153.226 1.00854.87 C ATOM 26558 N9 A B1292 -876.305 -75.415 152.429 1.00854.87 N ATOM 26559 C8 A B1292 -876.092 -75.338 151.074 1.00854.87 C ATOM 26560 N7 A B1292 -875.760 -74.140 150.659 1.00854.87 N ATOM 26561 C5 A B1292 -875.748 -73.376 151.817 1.00854.87 C ATOM 26562 C6 A B1292 -875.476 -72.016 152.056 1.00854.87 C ATOM 26563 N6 A B1292 -875.151 -71.145 151.100 1.00854.87 N ATOM 26564 N1 A B1292 -875.551 -71.573 153.332 1.00854.87 N ATOM 26565 C2 A B1292 -875.879 -72.447 154.294 1.00854.87 C ATOM 26566 N3 A B1292 -876.159 -73.744 154.193 1.00854.87 N ATOM 26567 C4 A B1292 -876.075 -74.149 152.916 1.00854.87 C ATOM 26568 P A B1293 -881.426 -77.528 152.168 1.00854.87 P ATOM 26569 O1P A B1293 -882.478 -78.478 152.609 1.00854.87 O ATOM 26570 O2P A B1293 -881.102 -77.408 150.725 1.00854.87 O ATOM 26571 O5* A B1293 -881.792 -76.079 152.724 1.00854.87 O ATOM 26572 C5* A B1293 -881.905 -75.856 154.125 1.00854.87 C ATOM 26573 C4* A B1293 -881.539 -74.432 154.472 1.00854.87 C ATOM 26574 O4* A B1293 -880.145 -74.177 154.144 1.00854.87 O ATOM 26575 C3* A B1293 -882.318 -73.391 153.705 1.00854.87 C ATOM 26576 O3* A B1293 -883.539 -73.104 154.376 1.00854.87 O ATOM 26577 C2* A B1293 -881.381 -72.192 153.717 1.00854.87 C ATOM 26578 O2* A B1293 -881.464 -71.452 154.918 1.00854.87 O ATOM 26579 C1* A B1293 -880.014 -72.863 153.625 1.00854.87 C ATOM 26580 N9 A B1293 -879.580 -72.938 152.231 1.00854.87 N ATOM 26581 C8 A B1293 -879.196 -74.029 151.494 1.00854.87 C ATOM 26582 N7 A B1293 -878.905 -73.744 150.245 1.00854.87 N ATOM 26583 C5 A B1293 -879.105 -72.375 150.158 1.00854.87 C ATOM 26584 C6 A B1293 -878.969 -71.457 149.095 1.00854.87 C ATOM 26585 N6 A B1293 -878.591 -71.800 147.863 1.00854.87 N ATOM 26586 N1 A B1293 -879.246 -70.158 149.350 1.00854.87 N ATOM 26587 C2 A B1293 -879.626 -69.813 150.587 1.00854.87 C ATOM 26588 N3 A B1293 -879.791 -70.581 151.662 1.00854.87 N ATOM 26589 C4 A B1293 -879.512 -71.864 151.379 1.00854.87 C ATOM 26590 P G B1294 -884.776 -72.507 153.539 1.00854.87 P ATOM 26591 O1P G B1294 -885.989 -72.635 154.386 1.00854.87 O ATOM 26592 O2P G B1294 -884.758 -73.114 152.184 1.00854.87 O ATOM 26593 O5* G B1294 -884.429 -70.958 153.399 1.00854.87 O ATOM 26594 C5* G B1294 -884.321 -70.136 154.557 1.00854.87 C ATOM 26595 C4* G B1294 -884.160 -68.680 154.174 1.00854.87 C ATOM 26596 O4* G B1294 -882.910 -68.461 153.467 1.00854.87 O ATOM 26597 C3* G B1294 -885.250 -68.152 153.246 1.00854.87 C ATOM 26598 O3* G B1294 -886.423 -67.719 153.917 1.00854.87 O ATOM 26599 C2* G B1294 -884.544 -67.000 152.546 1.00854.87 C ATOM 26600 O2* G B1294 -884.532 -65.819 153.322 1.00854.87 O ATOM 26601 C1* G B1294 -883.122 -67.541 152.405 1.00854.87 C ATOM 26602 N9 G B1294 -882.980 -68.233 151.129 1.00854.87 N ATOM 26603 C8 G B1294 -882.954 -69.591 150.916 1.00854.87 C ATOM 26604 N7 G B1294 -882.869 -69.905 149.650 1.00854.87 N ATOM 26605 C5 G B1294 -882.825 -68.682 148.992 1.00854.87 C ATOM 26606 C6 G B1294 -882.743 -68.387 147.606 1.00854.87 C ATOM 26607 O6 G B1294 -882.702 -69.169 146.652 1.00854.87 O ATOM 26608 N1 G B1294 -882.716 -67.019 147.372 1.00854.87 N ATOM 26609 C2 G B1294 -882.770 -66.052 148.345 1.00854.87 C ATOM 26610 N2 G B1294 -882.719 -64.778 147.910 1.00854.87 N ATOM 26611 N3 G B1294 -882.857 -66.312 149.642 1.00854.87 N ATOM 26612 C4 G B1294 -882.879 -67.641 149.891 1.00854.87 C ATOM 26613 P U B1295 -887.858 -68.181 153.364 1.00854.87 P ATOM 26614 O1P U B1295 -888.894 -67.520 154.198 1.00854.87 O ATOM 26615 O2P U B1295 -887.848 -69.663 153.247 1.00854.87 O ATOM 26616 O5* U B1295 -887.914 -67.565 151.895 1.00854.87 O ATOM 26617 C5* U B1295 -887.922 -66.152 151.704 1.00854.87 C ATOM 26618 C4* U B1295 -887.759 -65.804 150.242 1.00854.87 C ATOM 26619 O4* U B1295 -886.526 -66.354 149.694 1.00854.87 O ATOM 26620 C3* U B1295 -888.835 -66.301 149.317 1.00854.87 C ATOM 26621 O3* U B1295 -889.943 -65.410 149.371 1.00854.87 O ATOM 26622 C2* U B1295 -888.145 -66.280 147.956 1.00854.87 C ATOM 26623 O2* U B1295 -888.156 -64.991 147.378 1.00854.87 O ATOM 26624 C1* U B1295 -886.710 -66.674 148.319 1.00854.87 C ATOM 26625 N1 U B1295 -886.484 -68.118 148.128 1.00854.87 N ATOM 26626 C2 U B1295 -886.064 -68.579 146.875 1.00854.87 C ATOM 26627 O2 U B1295 -885.798 -67.857 145.943 1.00854.87 O ATOM 26628 N3 U B1295 -885.950 -69.940 146.770 1.00854.87 N ATOM 26629 C4 U B1295 -886.173 -70.869 147.749 1.00854.87 C ATOM 26630 O4 U B1295 -886.044 -72.065 147.484 1.00854.87 O ATOM 26631 C5 U B1295 -886.567 -70.326 149.014 1.00854.87 C ATOM 26632 C6 U B1295 -886.707 -69.001 149.154 1.00854.87 C ATOM 26633 P G B1296 -891.429 -66.013 149.494 1.00854.87 P ATOM 26634 O1P G B1296 -892.294 -64.975 150.112 1.00854.87 O ATOM 26635 O2P G B1296 -891.337 -67.358 150.122 1.00854.87 O ATOM 26636 O5* G B1296 -891.883 -66.202 147.978 1.00854.87 O ATOM 26637 C5* G B1296 -891.410 -65.318 146.965 1.00854.87 C ATOM 26638 C4* G B1296 -891.108 -66.074 145.691 1.00854.87 C ATOM 26639 O4* G B1296 -890.057 -67.048 145.903 1.00854.87 O ATOM 26640 C3* G B1296 -892.304 -66.852 145.155 1.00854.87 C ATOM 26641 O3* G B1296 -893.115 -66.038 144.317 1.00854.87 O ATOM 26642 C2* G B1296 -891.642 -67.991 144.382 1.00854.87 C ATOM 26643 O2* G B1296 -891.289 -67.616 143.066 1.00854.87 O ATOM 26644 C1* G B1296 -890.367 -68.234 145.192 1.00854.87 C ATOM 26645 N9 G B1296 -890.451 -69.346 146.136 1.00854.87 N ATOM 26646 C8 G B1296 -891.262 -69.444 147.242 1.00854.87 C ATOM 26647 N7 G B1296 -891.102 -70.563 147.898 1.00854.87 N ATOM 26648 C5 G B1296 -890.127 -71.245 147.182 1.00854.87 C ATOM 26649 C6 G B1296 -889.533 -72.515 147.415 1.00854.87 C ATOM 26650 O6 G B1296 -889.760 -73.315 148.328 1.00854.87 O ATOM 26651 N1 G B1296 -888.584 -72.822 146.443 1.00854.87 N ATOM 26652 C2 G B1296 -888.249 -72.012 145.389 1.00854.87 C ATOM 26653 N2 G B1296 -887.310 -72.489 144.556 1.00854.87 N ATOM 26654 N3 G B1296 -888.788 -70.826 145.159 1.00854.87 N ATOM 26655 C4 G B1296 -889.716 -70.508 146.093 1.00854.87 C ATOM 26656 P A B1297 -894.465 -66.637 143.694 1.00854.87 P ATOM 26657 O1P A B1297 -895.205 -65.507 143.076 1.00854.87 O ATOM 26658 O2P A B1297 -895.133 -67.475 144.721 1.00854.87 O ATOM 26659 O5* A B1297 -893.951 -67.586 142.527 1.00854.87 O ATOM 26660 C5* A B1297 -894.646 -68.784 142.194 1.00854.87 C ATOM 26661 C4* A B1297 -893.904 -69.524 141.107 1.00854.87 C ATOM 26662 O4* A B1297 -893.744 -68.666 139.950 1.00854.87 O ATOM 26663 C3* A B1297 -892.491 -69.974 141.465 1.00854.87 C ATOM 26664 O3* A B1297 -892.441 -71.192 142.199 1.00854.87 O ATOM 26665 C2* A B1297 -891.818 -70.073 140.098 1.00854.87 C ATOM 26666 O2* A B1297 -892.078 -71.301 139.448 1.00854.87 O ATOM 26667 C1* A B1297 -892.499 -68.939 139.325 1.00854.87 C ATOM 26668 N9 A B1297 -891.730 -67.697 139.286 1.00854.87 N ATOM 26669 C8 A B1297 -891.659 -66.712 140.241 1.00854.87 C ATOM 26670 N7 A B1297 -890.892 -65.704 139.901 1.00854.87 N ATOM 26671 C5 A B1297 -890.425 -66.046 138.639 1.00854.87 C ATOM 26672 C6 A B1297 -889.570 -65.392 137.737 1.00854.87 C ATOM 26673 N6 A B1297 -889.012 -64.201 137.972 1.00854.87 N ATOM 26674 N1 A B1297 -889.304 -66.012 136.564 1.00854.87 N ATOM 26675 C2 A B1297 -889.864 -67.204 136.328 1.00854.87 C ATOM 26676 N3 A B1297 -890.684 -67.916 137.094 1.00854.87 N ATOM 26677 C4 A B1297 -890.927 -67.275 138.252 1.00854.87 C ATOM 26678 P G B1298 -891.153 -71.526 143.103 1.00854.87 P ATOM 26679 O1P G B1298 -891.646 -72.113 144.377 1.00854.87 O ATOM 26680 O2P G B1298 -890.281 -70.327 143.138 1.00854.87 O ATOM 26681 O5* G B1298 -890.409 -72.667 142.284 1.00854.87 O ATOM 26682 C5* G B1298 -891.135 -73.765 141.745 1.00854.87 C ATOM 26683 C4* G B1298 -890.446 -74.287 140.510 1.00854.87 C ATOM 26684 O4* G B1298 -890.502 -73.297 139.454 1.00854.87 O ATOM 26685 C3* G B1298 -888.967 -74.607 140.697 1.00854.87 C ATOM 26686 O3* G B1298 -888.756 -75.907 141.228 1.00854.87 O ATOM 26687 C2* G B1298 -888.405 -74.426 139.289 1.00854.87 C ATOM 26688 O2* G B1298 -888.569 -75.576 138.481 1.00854.87 O ATOM 26689 C1* G B1298 -889.279 -73.294 138.742 1.00854.87 C ATOM 26690 N9 G B1298 -888.683 -71.964 138.853 1.00854.87 N ATOM 26691 C8 G B1298 -888.506 -71.224 139.996 1.00854.87 C ATOM 26692 N7 G B1298 -887.966 -70.057 139.771 1.00854.87 N ATOM 26693 C5 G B1298 -887.772 -70.026 138.396 1.00854.87 C ATOM 26694 C6 G B1298 -887.225 -69.016 137.565 1.00854.87 C ATOM 26695 O6 G B1298 -886.803 -67.902 137.887 1.00854.87 O ATOM 26696 N1 G B1298 -887.205 -69.406 136.229 1.00854.87 N ATOM 26697 C2 G B1298 -887.659 -70.609 135.752 1.00854.87 C ATOM 26698 N2 G B1298 -887.556 -70.796 134.429 1.00854.87 N ATOM 26699 N3 G B1298 -888.179 -71.557 136.514 1.00854.87 N ATOM 26700 C4 G B1298 -888.199 -71.202 137.815 1.00854.87 C ATOM 26701 P A B1299 -887.410 -76.218 142.041 1.00854.87 P ATOM 26702 O1P A B1299 -886.940 -77.573 141.678 1.00854.87 O ATOM 26703 O2P A B1299 -887.645 -75.891 143.467 1.00854.87 O ATOM 26704 O5* A B1299 -886.384 -75.160 141.443 1.00854.87 O ATOM 26705 C5* A B1299 -884.992 -75.260 141.693 1.00854.87 C ATOM 26706 C4* A B1299 -884.252 -74.268 140.829 1.00854.87 C ATOM 26707 O4* A B1299 -884.755 -72.940 141.094 1.00854.87 O ATOM 26708 C3* A B1299 -882.762 -74.170 141.066 1.00854.87 C ATOM 26709 O3* A B1299 -882.094 -75.171 140.305 1.00854.87 O ATOM 26710 C2* A B1299 -882.427 -72.757 140.588 1.00854.87 C ATOM 26711 O2* A B1299 -882.185 -72.717 139.194 1.00854.87 O ATOM 26712 C1* A B1299 -883.724 -71.998 140.892 1.00854.87 C ATOM 26713 N9 A B1299 -883.731 -71.075 142.034 1.00854.87 N ATOM 26714 C8 A B1299 -884.504 -71.099 143.174 1.00854.87 C ATOM 26715 N7 A B1299 -884.333 -70.050 143.961 1.00854.87 N ATOM 26716 C5 A B1299 -883.357 -69.310 143.304 1.00854.87 C ATOM 26717 C6 A B1299 -882.748 -68.086 143.608 1.00854.87 C ATOM 26718 N6 A B1299 -883.028 -67.365 144.695 1.00854.87 N ATOM 26719 N1 A B1299 -881.824 -67.617 142.743 1.00854.87 N ATOM 26720 C2 A B1299 -881.545 -68.333 141.648 1.00854.87 C ATOM 26721 N3 A B1299 -882.053 -69.493 141.248 1.00854.87 N ATOM 26722 C4 A B1299 -882.966 -69.934 142.131 1.00854.87 C ATOM 26723 P A B1300 -880.915 -76.030 140.975 1.00854.87 P ATOM 26724 O1P A B1300 -880.738 -77.233 140.133 1.00854.87 O ATOM 26725 O2P A B1300 -881.191 -76.184 142.427 1.00854.87 O ATOM 26726 O5* A B1300 -879.623 -75.122 140.791 1.00854.87 O ATOM 26727 C5* A B1300 -878.372 -75.507 141.351 1.00854.87 C ATOM 26728 C4* A B1300 -877.262 -74.698 140.729 1.00854.87 C ATOM 26729 O4* A B1300 -877.110 -75.059 139.333 1.00854.87 O ATOM 26730 C3* A B1300 -877.470 -73.193 140.711 1.00854.87 C ATOM 26731 O3* A B1300 -877.101 -72.613 141.957 1.00854.87 O ATOM 26732 C2* A B1300 -876.586 -72.739 139.555 1.00854.87 C ATOM 26733 O2* A B1300 -875.238 -72.573 139.934 1.00854.87 O ATOM 26734 C1* A B1300 -876.702 -73.925 138.589 1.00854.87 C ATOM 26735 N9 A B1300 -877.677 -73.713 137.520 1.00854.87 N ATOM 26736 C8 A B1300 -879.032 -73.924 137.562 1.00854.87 C ATOM 26737 N7 A B1300 -879.644 -73.653 136.432 1.00854.87 N ATOM 26738 C5 A B1300 -878.622 -73.242 135.591 1.00854.87 C ATOM 26739 C6 A B1300 -878.615 -72.819 134.248 1.00854.87 C ATOM 26740 N6 A B1300 -879.710 -72.748 133.487 1.00854.87 N ATOM 26741 N1 A B1300 -877.428 -72.469 133.710 1.00854.87 N ATOM 26742 C2 A B1300 -876.331 -72.546 134.474 1.00854.87 C ATOM 26743 N3 A B1300 -876.208 -72.928 135.740 1.00854.87 N ATOM 26744 C4 A B1300 -877.405 -73.268 136.246 1.00854.87 C ATOM 26745 P U B1301 -877.581 -71.123 142.312 1.00854.87 P ATOM 26746 O1P U B1301 -877.540 -70.984 143.791 1.00854.87 O ATOM 26747 O2P U B1301 -878.847 -70.861 141.588 1.00854.87 O ATOM 26748 O5* U B1301 -876.450 -70.197 141.686 1.00854.87 O ATOM 26749 C5* U B1301 -875.106 -70.287 142.150 1.00854.87 C ATOM 26750 C4* U B1301 -874.178 -69.515 141.240 1.00854.87 C ATOM 26751 O4* U B1301 -874.113 -70.166 139.945 1.00854.87 O ATOM 26752 C3* U B1301 -874.603 -68.086 140.938 1.00854.87 C ATOM 26753 O3* U B1301 -874.193 -67.169 141.949 1.00854.87 O ATOM 26754 C2* U B1301 -873.932 -67.814 139.595 1.00854.87 C ATOM 26755 O2* U B1301 -872.584 -67.422 139.737 1.00854.87 O ATOM 26756 C1* U B1301 -873.988 -69.190 138.928 1.00854.87 C ATOM 26757 N1 U B1301 -875.105 -69.336 137.984 1.00854.87 N ATOM 26758 C2 U B1301 -874.788 -69.470 136.647 1.00854.87 C ATOM 26759 O2 U B1301 -873.639 -69.486 136.238 1.00854.87 O ATOM 26760 N3 U B1301 -875.862 -69.596 135.801 1.00854.87 N ATOM 26761 C4 U B1301 -877.198 -69.599 136.152 1.00854.87 C ATOM 26762 O4 U B1301 -878.052 -69.724 135.273 1.00854.87 O ATOM 26763 C5 U B1301 -877.445 -69.458 137.556 1.00854.87 C ATOM 26764 C6 U B1301 -876.416 -69.335 138.403 1.00854.87 C ATOM 26765 P C B1302 -875.248 -66.725 143.081 1.00854.87 P ATOM 26766 O1P C B1302 -875.294 -67.861 144.031 1.00854.87 O ATOM 26767 O2P C B1302 -876.492 -66.267 142.414 1.00854.87 O ATOM 26768 O5* C B1302 -874.589 -65.484 143.836 1.00854.87 O ATOM 26769 C5* C B1302 -874.816 -64.148 143.383 1.00854.87 C ATOM 26770 C4* C B1302 -875.954 -63.501 144.154 1.00854.87 C ATOM 26771 O4* C B1302 -877.214 -64.128 143.799 1.00854.87 O ATOM 26772 C3* C B1302 -875.928 -63.541 145.664 1.00854.87 C ATOM 26773 O3* C B1302 -875.137 -62.463 146.153 1.00854.87 O ATOM 26774 C2* C B1302 -877.396 -63.347 146.045 1.00854.87 C ATOM 26775 O2* C B1302 -877.760 -61.981 146.096 1.00854.87 O ATOM 26776 C1* C B1302 -878.127 -64.023 144.882 1.00854.87 C ATOM 26777 N1 C B1302 -878.627 -65.371 145.205 1.00854.87 N ATOM 26778 C2 C B1302 -879.995 -65.561 145.473 1.00854.87 C ATOM 26779 O2 C B1302 -880.774 -64.600 145.406 1.00854.87 O ATOM 26780 N3 C B1302 -880.433 -66.798 145.807 1.00854.87 N ATOM 26781 C4 C B1302 -879.572 -67.818 145.861 1.00854.87 C ATOM 26782 N4 C B1302 -880.038 -69.015 146.204 1.00854.87 N ATOM 26783 C5 C B1302 -878.190 -67.652 145.569 1.00854.87 C ATOM 26784 C6 C B1302 -877.765 -66.429 145.247 1.00854.87 C ATOM 26785 P U B1303 -874.311 -62.635 147.523 1.00854.87 P ATOM 26786 O1P U B1303 -873.670 -61.327 147.813 1.00854.87 O ATOM 26787 O2P U B1303 -873.471 -63.854 147.420 1.00854.87 O ATOM 26788 O5* U B1303 -875.429 -62.886 148.632 1.00854.87 O ATOM 26789 C5* U B1303 -876.233 -61.815 149.118 1.00854.87 C ATOM 26790 C4* U B1303 -877.453 -62.344 149.834 1.00854.87 C ATOM 26791 O4* U B1303 -878.120 -63.327 149.000 1.00854.87 O ATOM 26792 C3* U B1303 -877.191 -63.045 151.150 1.00854.87 C ATOM 26793 O3* U B1303 -877.166 -62.101 152.212 1.00854.87 O ATOM 26794 C2* U B1303 -878.367 -64.006 151.272 1.00854.87 C ATOM 26795 O2* U B1303 -879.518 -63.388 151.820 1.00854.87 O ATOM 26796 C1* U B1303 -878.628 -64.371 149.811 1.00854.87 C ATOM 26797 N1 U B1303 -877.973 -65.628 149.423 1.00854.87 N ATOM 26798 C2 U B1303 -878.781 -66.702 149.107 1.00854.87 C ATOM 26799 O2 U B1303 -880.000 -66.640 149.136 1.00854.87 O ATOM 26800 N3 U B1303 -878.116 -67.850 148.761 1.00854.87 N ATOM 26801 C4 U B1303 -876.751 -68.031 148.699 1.00854.87 C ATOM 26802 O4 U B1303 -876.302 -69.129 148.370 1.00854.87 O ATOM 26803 C5 U B1303 -875.978 -66.873 149.038 1.00854.87 C ATOM 26804 C6 U B1303 -876.602 -65.739 149.383 1.00854.87 C ATOM 26805 P U B1304 -875.944 -62.117 153.258 1.00854.87 P ATOM 26806 O1P U B1304 -875.913 -60.791 153.926 1.00854.87 O ATOM 26807 O2P U B1304 -874.732 -62.607 152.546 1.00854.87 O ATOM 26808 O5* U B1304 -876.362 -63.210 154.335 1.00854.87 O ATOM 26809 C5* U B1304 -876.428 -62.882 155.719 1.00854.87 C ATOM 26810 C4* U B1304 -876.178 -64.109 156.565 1.00854.87 C ATOM 26811 O4* U B1304 -877.172 -65.117 156.255 1.00854.87 O ATOM 26812 C3* U B1304 -874.842 -64.825 156.398 1.00854.87 C ATOM 26813 O3* U B1304 -873.811 -64.226 157.171 1.00854.87 O ATOM 26814 C2* U B1304 -875.163 -66.237 156.878 1.00854.87 C ATOM 26815 O2* U B1304 -875.122 -66.355 158.285 1.00854.87 O ATOM 26816 C1* U B1304 -876.608 -66.409 156.399 1.00854.87 C ATOM 26817 N1 U B1304 -876.695 -67.101 155.105 1.00854.87 N ATOM 26818 C2 U B1304 -876.649 -68.483 155.105 1.00854.87 C ATOM 26819 O2 U B1304 -876.539 -69.142 156.123 1.00854.87 O ATOM 26820 N3 U B1304 -876.737 -69.063 153.865 1.00854.87 N ATOM 26821 C4 U B1304 -876.867 -68.417 152.651 1.00854.87 C ATOM 26822 O4 U B1304 -876.959 -69.080 151.617 1.00854.87 O ATOM 26823 C5 U B1304 -876.903 -66.989 152.737 1.00854.87 C ATOM 26824 C6 U B1304 -876.818 -66.397 153.932 1.00854.87 C ATOM 26825 P C B1305 -872.290 -64.283 156.647 1.00854.87 P ATOM 26826 O1P C B1305 -871.433 -63.693 157.706 1.00854.87 O ATOM 26827 O2P C B1305 -872.243 -63.724 155.272 1.00854.87 O ATOM 26828 O5* C B1305 -871.974 -65.842 156.570 1.00854.87 O ATOM 26829 C5* C B1305 -871.867 -66.616 157.759 1.00854.87 C ATOM 26830 C4* C B1305 -871.872 -68.089 157.437 1.00854.87 C ATOM 26831 O4* C B1305 -872.770 -68.379 156.338 1.00854.87 O ATOM 26832 C3* C B1305 -870.572 -68.708 156.960 1.00854.87 C ATOM 26833 O3* C B1305 -869.707 -68.939 158.059 1.00854.87 O ATOM 26834 C2* C B1305 -871.020 -69.998 156.283 1.00854.87 C ATOM 26835 O2* C B1305 -871.176 -71.066 157.197 1.00854.87 O ATOM 26836 C1* C B1305 -872.389 -69.604 155.727 1.00854.87 C ATOM 26837 N1 C B1305 -872.375 -69.431 154.263 1.00854.87 N ATOM 26838 C2 C B1305 -872.635 -70.542 153.460 1.00854.87 C ATOM 26839 O2 C B1305 -872.879 -71.631 154.004 1.00854.87 O ATOM 26840 N3 C B1305 -872.613 -70.409 152.115 1.00854.87 N ATOM 26841 C4 C B1305 -872.344 -69.221 151.569 1.00854.87 C ATOM 26842 N4 C B1305 -872.330 -69.131 150.236 1.00854.87 N ATOM 26843 C5 C B1305 -872.085 -68.065 152.365 1.00854.87 C ATOM 26844 C6 C B1305 -872.110 -68.215 153.698 1.00854.87 C ATOM 26845 P U B1306 -868.156 -69.254 157.788 1.00854.87 P ATOM 26846 O1P U B1306 -867.389 -68.770 158.965 1.00854.87 O ATOM 26847 O2P U B1306 -867.813 -68.761 156.431 1.00854.87 O ATOM 26848 O5* U B1306 -868.105 -70.844 157.772 1.00854.87 O ATOM 26849 C5* U B1306 -867.657 -71.559 158.916 1.00854.87 C ATOM 26850 C4* U B1306 -867.172 -72.935 158.525 1.00854.87 C ATOM 26851 O4* U B1306 -868.234 -73.687 157.885 1.00854.87 O ATOM 26852 C3* U B1306 -866.006 -72.936 157.552 1.00854.87 C ATOM 26853 O3* U B1306 -864.771 -72.875 158.254 1.00854.87 O ATOM 26854 C2* U B1306 -866.177 -74.263 156.819 1.00854.87 C ATOM 26855 O2* U B1306 -865.600 -75.347 157.519 1.00854.87 O ATOM 26856 C1* U B1306 -867.701 -74.424 156.799 1.00854.87 C ATOM 26857 N1 U B1306 -868.316 -73.964 155.546 1.00854.87 N ATOM 26858 C2 U B1306 -868.300 -74.836 154.474 1.00854.87 C ATOM 26859 O2 U B1306 -867.820 -75.957 154.542 1.00854.87 O ATOM 26860 N3 U B1306 -868.867 -74.357 153.323 1.00854.87 N ATOM 26861 C4 U B1306 -869.438 -73.117 153.134 1.00854.87 C ATOM 26862 O4 U B1306 -869.896 -72.822 152.027 1.00854.87 O ATOM 26863 C5 U B1306 -869.424 -72.272 154.290 1.00854.87 C ATOM 26864 C6 U B1306 -868.876 -72.714 155.428 1.00854.87 C ATOM 26865 P U B1307 -863.403 -72.721 157.432 1.00854.87 P ATOM 26866 O1P U B1307 -862.327 -72.391 158.400 1.00854.87 O ATOM 26867 O2P U B1307 -863.649 -71.827 156.272 1.00854.87 O ATOM 26868 O5* U B1307 -863.137 -74.191 156.881 1.00854.87 O ATOM 26869 C5* U B1307 -862.406 -74.405 155.681 1.00854.87 C ATOM 26870 C4* U B1307 -862.931 -75.626 154.970 1.00854.87 C ATOM 26871 O4* U B1307 -864.370 -75.513 154.824 1.00854.87 O ATOM 26872 C3* U B1307 -862.422 -75.814 153.550 1.00854.87 C ATOM 26873 O3* U B1307 -861.155 -76.461 153.527 1.00854.87 O ATOM 26874 C2* U B1307 -863.527 -76.642 152.907 1.00854.87 C ATOM 26875 O2* U B1307 -863.419 -78.018 153.209 1.00854.87 O ATOM 26876 C1* U B1307 -864.771 -76.064 153.579 1.00854.87 C ATOM 26877 N1 U B1307 -865.368 -74.978 152.788 1.00854.87 N ATOM 26878 C2 U B1307 -866.130 -75.321 151.689 1.00854.87 C ATOM 26879 O2 U B1307 -866.334 -76.475 151.354 1.00854.87 O ATOM 26880 N3 U B1307 -866.640 -74.254 150.989 1.00854.87 N ATOM 26881 C4 U B1307 -866.471 -72.913 151.274 1.00854.87 C ATOM 26882 O4 U B1307 -866.991 -72.069 150.544 1.00854.87 O ATOM 26883 C5 U B1307 -865.680 -72.647 152.431 1.00854.87 C ATOM 26884 C6 U B1307 -865.168 -73.663 153.133 1.00854.87 C ATOM 26885 P C B1308 -859.880 -75.683 152.935 1.00854.87 P ATOM 26886 O1P C B1308 -858.724 -76.613 152.975 1.00854.87 O ATOM 26887 O2P C B1308 -859.787 -74.363 153.610 1.00854.87 O ATOM 26888 O5* C B1308 -860.271 -75.435 151.411 1.00854.87 O ATOM 26889 C5* C B1308 -860.365 -76.524 150.499 1.00854.87 C ATOM 26890 C4* C B1308 -860.122 -76.046 149.089 1.00854.87 C ATOM 26891 O4* C B1308 -861.279 -75.306 148.618 1.00854.87 O ATOM 26892 C3* C B1308 -858.977 -75.088 148.802 1.00854.87 C ATOM 26893 O3* C B1308 -857.701 -75.709 148.773 1.00854.87 O ATOM 26894 C2* C B1308 -859.368 -74.493 147.454 1.00854.87 C ATOM 26895 O2* C B1308 -859.012 -75.327 146.370 1.00854.87 O ATOM 26896 C1* C B1308 -860.891 -74.432 147.577 1.00854.87 C ATOM 26897 N1 C B1308 -861.362 -73.077 147.896 1.00854.87 N ATOM 26898 C2 C B1308 -861.256 -72.089 146.921 1.00854.87 C ATOM 26899 O2 C B1308 -860.784 -72.392 145.815 1.00854.87 O ATOM 26900 N3 C B1308 -861.664 -70.830 147.196 1.00854.87 N ATOM 26901 C4 C B1308 -862.169 -70.541 148.397 1.00854.87 C ATOM 26902 N4 C B1308 -862.559 -69.282 148.618 1.00854.87 N ATOM 26903 C5 C B1308 -862.296 -71.532 149.416 1.00854.87 C ATOM 26904 C6 C B1308 -861.887 -72.778 149.124 1.00854.87 C ATOM 26905 P G B1309 -856.380 -74.815 148.984 1.00854.87 P ATOM 26906 O1P G B1309 -855.214 -75.731 148.955 1.00854.87 O ATOM 26907 O2P G B1309 -856.602 -73.941 150.167 1.00854.87 O ATOM 26908 O5* G B1309 -856.326 -73.888 147.689 1.00854.87 O ATOM 26909 C5* G B1309 -856.096 -74.446 146.401 1.00854.87 C ATOM 26910 C4* G B1309 -856.426 -73.439 145.326 1.00854.87 C ATOM 26911 O4* G B1309 -857.766 -72.934 145.547 1.00854.87 O ATOM 26912 C3* G B1309 -855.564 -72.197 145.257 1.00854.87 C ATOM 26913 O3* G B1309 -854.403 -72.478 144.481 1.00854.87 O ATOM 26914 C2* G B1309 -856.475 -71.183 144.580 1.00854.87 C ATOM 26915 O2* G B1309 -856.467 -71.304 143.172 1.00854.87 O ATOM 26916 C1* G B1309 -857.848 -71.585 145.121 1.00854.87 C ATOM 26917 N9 G B1309 -858.249 -70.771 146.263 1.00854.87 N ATOM 26918 C8 G B1309 -858.008 -71.017 147.593 1.00854.87 C ATOM 26919 N7 G B1309 -858.490 -70.099 148.380 1.00854.87 N ATOM 26920 C5 G B1309 -859.089 -69.187 147.520 1.00854.87 C ATOM 26921 C6 G B1309 -859.781 -67.975 147.793 1.00854.87 C ATOM 26922 O6 G B1309 -860.013 -67.444 148.887 1.00854.87 O ATOM 26923 N1 G B1309 -860.223 -67.368 146.620 1.00854.87 N ATOM 26924 C2 G B1309 -860.025 -67.860 145.352 1.00854.87 C ATOM 26925 N2 G B1309 -860.519 -67.130 144.349 1.00854.87 N ATOM 26926 N3 G B1309 -859.388 -68.985 145.089 1.00854.87 N ATOM 26927 C4 G B1309 -858.951 -69.592 146.208 1.00854.87 C ATOM 26928 P C B1310 -853.286 -71.423 143.779 1.00855.43 P ATOM 26929 O1P C B1310 -852.228 -72.011 142.922 1.00855.43 O ATOM 26930 O2P C B1310 -853.016 -71.175 145.218 1.00855.43 O ATOM 26931 O5* C B1310 -853.743 -70.052 143.108 1.00855.43 O ATOM 26932 C5* C B1310 -853.808 -69.928 141.693 1.00855.43 C ATOM 26933 C4* C B1310 -854.204 -68.523 141.300 1.00855.43 C ATOM 26934 O4* C B1310 -855.561 -68.268 141.746 1.00855.43 O ATOM 26935 C3* C B1310 -853.439 -67.376 141.921 1.00855.43 C ATOM 26936 O3* C B1310 -852.225 -67.146 141.219 1.00855.43 O ATOM 26937 C2* C B1310 -854.388 -66.194 141.769 1.00855.43 C ATOM 26938 O2* C B1310 -854.292 -65.591 140.495 1.00855.43 O ATOM 26939 C1* C B1310 -855.749 -66.873 141.909 1.00855.43 C ATOM 26940 N1 C B1310 -856.321 -66.617 143.240 1.00855.43 N ATOM 26941 C2 C B1310 -857.199 -65.545 143.375 1.00855.43 C ATOM 26942 O2 C B1310 -857.490 -64.892 142.363 1.00855.43 O ATOM 26943 N3 C B1310 -857.708 -65.252 144.592 1.00855.43 N ATOM 26944 C4 C B1310 -857.371 -65.994 145.651 1.00855.43 C ATOM 26945 N4 C B1310 -857.891 -65.658 146.833 1.00855.43 N ATOM 26946 C5 C B1310 -856.490 -67.112 145.537 1.00855.43 C ATOM 26947 C6 C B1310 -855.992 -67.386 144.322 1.00855.43 C ATOM 26948 P C B1311 -850.984 -66.461 141.983 1.00855.43 P ATOM 26949 O1P C B1311 -849.837 -66.432 141.043 1.00855.43 O ATOM 26950 O2P C B1311 -850.834 -67.122 143.304 1.00855.43 O ATOM 26951 O5* C B1311 -851.461 -64.961 142.235 1.00855.43 O ATOM 26952 C5* C B1311 -851.595 -64.050 141.148 1.00855.43 C ATOM 26953 C4* C B1311 -851.972 -62.673 141.653 1.00855.43 C ATOM 26954 O4* C B1311 -853.318 -62.688 142.185 1.00855.43 O ATOM 26955 C3* C B1311 -851.153 -62.013 142.764 1.00855.43 C ATOM 26956 O3* C B1311 -849.924 -61.453 142.319 1.00855.43 O ATOM 26957 C2* C B1311 -852.114 -60.953 143.291 1.00855.43 C ATOM 26958 O2* C B1311 -852.107 -59.769 142.525 1.00855.43 O ATOM 26959 C1* C B1311 -853.470 -61.642 143.129 1.00855.43 C ATOM 26960 N1 C B1311 -853.977 -62.214 144.383 1.00855.43 N ATOM 26961 C2 C B1311 -854.597 -61.362 145.307 1.00855.43 C ATOM 26962 O2 C B1311 -854.699 -60.156 145.039 1.00855.43 O ATOM 26963 N3 C B1311 -855.066 -61.879 146.465 1.00855.43 N ATOM 26964 C4 C B1311 -854.936 -63.185 146.713 1.00855.43 C ATOM 26965 N4 C B1311 -855.415 -63.653 147.867 1.00855.43 N ATOM 26966 C5 C B1311 -854.307 -64.070 145.793 1.00855.43 C ATOM 26967 C6 C B1311 -853.847 -63.545 144.649 1.00855.43 C ATOM 26968 P G B1312 -848.670 -61.399 143.318 1.00855.43 P ATOM 26969 O1P G B1312 -847.578 -60.664 142.630 1.00855.43 O ATOM 26970 O2P G B1312 -848.423 -62.774 143.828 1.00855.43 O ATOM 26971 O5* G B1312 -849.190 -60.503 144.526 1.00855.43 O ATOM 26972 C5* G B1312 -849.538 -59.138 144.317 1.00855.43 C ATOM 26973 C4* G B1312 -850.411 -58.644 145.442 1.00855.43 C ATOM 26974 O4* G B1312 -851.462 -59.603 145.706 1.00855.43 O ATOM 26975 C3* G B1312 -849.756 -58.436 146.783 1.00855.43 C ATOM 26976 O3* G B1312 -849.139 -57.154 146.793 1.00855.43 O ATOM 26977 C2* G B1312 -850.921 -58.527 147.762 1.00855.43 C ATOM 26978 O2* G B1312 -851.598 -57.296 147.924 1.00855.43 O ATOM 26979 C1* G B1312 -851.851 -59.525 147.065 1.00855.43 C ATOM 26980 N9 G B1312 -851.803 -60.871 147.620 1.00855.43 N ATOM 26981 C8 G B1312 -851.330 -62.008 147.006 1.00855.43 C ATOM 26982 N7 G B1312 -851.434 -63.073 147.751 1.00855.43 N ATOM 26983 C5 G B1312 -852.004 -62.613 148.931 1.00855.43 C ATOM 26984 C6 G B1312 -852.362 -63.314 150.113 1.00855.43 C ATOM 26985 O6 G B1312 -852.244 -64.520 150.361 1.00855.43 O ATOM 26986 N1 G B1312 -852.908 -62.459 151.064 1.00855.43 N ATOM 26987 C2 G B1312 -853.091 -61.108 150.902 1.00855.43 C ATOM 26988 N2 G B1312 -853.628 -60.456 151.944 1.00855.43 N ATOM 26989 N3 G B1312 -852.769 -60.447 149.804 1.00855.43 N ATOM 26990 C4 G B1312 -852.233 -61.257 148.868 1.00855.43 C ATOM 26991 P U B1313 -847.988 -56.828 147.866 1.00855.43 P ATOM 26992 O1P U B1313 -847.482 -58.120 148.388 1.00855.43 O ATOM 26993 O2P U B1313 -848.509 -55.809 148.814 1.00855.43 O ATOM 26994 O5* U B1313 -846.833 -56.156 147.001 1.00855.43 O ATOM 26995 C5* U B1313 -846.256 -56.842 145.889 1.00855.43 C ATOM 26996 C4* U B1313 -846.245 -55.948 144.675 1.00855.43 C ATOM 26997 O4* U B1313 -846.039 -54.580 145.109 1.00855.43 O ATOM 26998 C3* U B1313 -845.141 -56.224 143.686 1.00855.43 C ATOM 26999 O3* U B1313 -845.359 -57.316 142.782 1.00855.43 O ATOM 27000 C2* U B1313 -844.843 -54.862 143.064 1.00855.43 C ATOM 27001 O2* U B1313 -845.648 -54.511 141.958 1.00855.43 O ATOM 27002 C1* U B1313 -845.150 -53.917 144.230 1.00855.43 C ATOM 27003 N1 U B1313 -843.982 -53.519 145.030 1.00855.43 N ATOM 27004 C2 U B1313 -842.993 -52.774 144.422 1.00855.43 C ATOM 27005 O2 U B1313 -843.038 -52.435 143.251 1.00855.43 O ATOM 27006 N3 U B1313 -841.940 -52.437 145.241 1.00855.43 N ATOM 27007 C4 U B1313 -841.785 -52.771 146.573 1.00855.43 C ATOM 27008 O4 U B1313 -840.774 -52.405 147.175 1.00855.43 O ATOM 27009 C5 U B1313 -842.855 -53.545 147.124 1.00855.43 C ATOM 27010 C6 U B1313 -843.887 -53.884 146.352 1.00855.43 C ATOM 27011 P A B1314 -846.448 -57.192 141.600 1.00855.43 P ATOM 27012 O1P A B1314 -846.957 -58.565 141.346 1.00855.43 O ATOM 27013 O2P A B1314 -845.852 -56.417 140.481 1.00855.43 O ATOM 27014 O5* A B1314 -847.634 -56.344 142.246 1.00855.43 O ATOM 27015 C5* A B1314 -848.479 -55.515 141.450 1.00855.43 C ATOM 27016 C4* A B1314 -849.880 -56.081 141.420 1.00855.43 C ATOM 27017 O4* A B1314 -850.167 -56.769 142.667 1.00855.43 O ATOM 27018 C3* A B1314 -851.020 -55.096 141.240 1.00855.43 C ATOM 27019 O3* A B1314 -851.271 -54.757 139.881 1.00855.43 O ATOM 27020 C2* A B1314 -852.204 -55.861 141.821 1.00855.43 C ATOM 27021 O2* A B1314 -852.761 -56.754 140.879 1.00855.43 O ATOM 27022 C1* A B1314 -851.549 -56.658 142.952 1.00855.43 C ATOM 27023 N9 A B1314 -851.731 -56.050 144.272 1.00855.43 N ATOM 27024 C8 A B1314 -852.836 -56.171 145.074 1.00855.43 C ATOM 27025 N7 A B1314 -852.727 -55.553 146.223 1.00855.43 N ATOM 27026 C5 A B1314 -851.468 -54.978 146.176 1.00855.43 C ATOM 27027 C6 A B1314 -850.755 -54.190 147.095 1.00855.43 C ATOM 27028 N6 A B1314 -851.228 -53.836 148.292 1.00855.43 N ATOM 27029 N1 A B1314 -849.519 -53.777 146.743 1.00855.43 N ATOM 27030 C2 A B1314 -849.045 -54.134 145.543 1.00855.43 C ATOM 27031 N3 A B1314 -849.617 -54.871 144.593 1.00855.43 N ATOM 27032 C4 A B1314 -850.843 -55.268 144.976 1.00855.43 C ATOM 27033 P A B1315 -852.425 -53.696 139.525 1.00855.43 P ATOM 27034 O1P A B1315 -851.984 -52.966 138.308 1.00855.43 O ATOM 27035 O2P A B1315 -852.758 -52.933 140.755 1.00855.43 O ATOM 27036 O5* A B1315 -853.690 -54.583 139.125 1.00855.43 O ATOM 27037 C5* A B1315 -855.011 -54.044 139.195 1.00855.43 C ATOM 27038 C4* A B1315 -855.980 -55.077 139.728 1.00855.43 C ATOM 27039 O4* A B1315 -855.981 -56.215 138.837 1.00855.43 O ATOM 27040 C3* A B1315 -855.601 -55.610 141.108 1.00855.43 C ATOM 27041 O3* A B1315 -856.234 -54.848 142.144 1.00855.43 O ATOM 27042 C2* A B1315 -856.150 -57.038 141.084 1.00855.43 C ATOM 27043 O2* A B1315 -857.503 -57.108 141.485 1.00855.43 O ATOM 27044 C1* A B1315 -856.056 -57.402 139.597 1.00855.43 C ATOM 27045 N9 A B1315 -854.980 -58.299 139.185 1.00855.43 N ATOM 27046 C8 A B1315 -853.859 -57.996 138.448 1.00855.43 C ATOM 27047 N7 A B1315 -853.106 -59.035 138.182 1.00855.43 N ATOM 27048 C5 A B1315 -853.766 -60.091 138.794 1.00855.43 C ATOM 27049 C6 A B1315 -853.484 -61.465 138.871 1.00855.43 C ATOM 27050 N6 A B1315 -852.429 -62.040 138.289 1.00855.43 N ATOM 27051 N1 A B1315 -854.339 -62.241 139.573 1.00855.43 N ATOM 27052 C2 A B1315 -855.401 -61.667 140.146 1.00855.43 C ATOM 27053 N3 A B1315 -855.780 -60.395 140.135 1.00855.43 N ATOM 27054 C4 A B1315 -854.911 -59.651 139.432 1.00855.43 C ATOM 27055 P G B1316 -855.460 -53.603 142.806 1.00855.43 P ATOM 27056 O1P G B1316 -855.478 -52.510 141.802 1.00855.43 O ATOM 27057 O2P G B1316 -854.167 -54.092 143.328 1.00855.43 O ATOM 27058 O5* G B1316 -856.370 -53.118 144.024 1.00855.43 O ATOM 27059 C5* G B1316 -857.206 -54.012 144.759 1.00855.43 C ATOM 27060 C4* G B1316 -857.033 -53.780 146.251 1.00855.43 C ATOM 27061 O4* G B1316 -855.639 -53.947 146.613 1.00855.43 O ATOM 27062 C3* G B1316 -857.380 -52.400 146.743 1.00855.43 C ATOM 27063 O3* G B1316 -858.780 -52.318 146.986 1.00855.43 O ATOM 27064 C2* G B1316 -856.564 -52.265 148.018 1.00855.43 C ATOM 27065 O2* G B1316 -857.195 -52.860 149.137 1.00855.43 O ATOM 27066 C1* G B1316 -855.298 -53.048 147.655 1.00855.43 C ATOM 27067 N9 G B1316 -854.258 -52.170 147.129 1.00855.43 N ATOM 27068 C8 G B1316 -854.155 -51.738 145.834 1.00855.43 C ATOM 27069 N7 G B1316 -853.142 -50.950 145.629 1.00855.43 N ATOM 27070 C5 G B1316 -852.533 -50.852 146.868 1.00855.43 C ATOM 27071 C6 G B1316 -851.385 -50.127 147.260 1.00855.43 C ATOM 27072 O6 G B1316 -850.654 -49.407 146.564 1.00855.43 O ATOM 27073 N1 G B1316 -851.109 -50.298 148.613 1.00855.43 N ATOM 27074 C2 G B1316 -851.848 -51.065 149.479 1.00855.43 C ATOM 27075 N2 G B1316 -851.420 -51.094 150.748 1.00855.43 N ATOM 27076 N3 G B1316 -852.926 -51.753 149.123 1.00855.43 N ATOM 27077 C4 G B1316 -853.207 -51.601 147.811 1.00855.43 C ATOM 27078 P G B1317 -859.613 -51.076 146.395 1.00855.43 P ATOM 27079 O1P G B1317 -861.053 -51.375 146.589 1.00855.43 O ATOM 27080 O2P G B1317 -859.100 -50.779 145.032 1.00855.43 O ATOM 27081 O5* G B1317 -859.228 -49.852 147.345 1.00855.43 O ATOM 27082 C5* G B1317 -859.817 -49.726 148.636 1.00855.43 C ATOM 27083 C4* G B1317 -859.030 -48.757 149.496 1.00855.43 C ATOM 27084 O4* G B1317 -857.667 -49.233 149.671 1.00855.43 O ATOM 27085 C3* G B1317 -858.862 -47.349 148.960 1.00855.43 C ATOM 27086 O3* G B1317 -859.997 -46.541 149.244 1.00855.43 O ATOM 27087 C2* G B1317 -857.632 -46.856 149.711 1.00855.43 C ATOM 27088 O2* G B1317 -857.931 -46.401 151.014 1.00855.43 O ATOM 27089 C1* G B1317 -856.788 -48.126 149.789 1.00855.43 C ATOM 27090 N9 G B1317 -855.830 -48.163 148.693 1.00855.43 N ATOM 27091 C8 G B1317 -855.887 -48.934 147.556 1.00855.43 C ATOM 27092 N7 G B1317 -854.898 -48.706 146.735 1.00855.43 N ATOM 27093 C5 G B1317 -854.141 -47.729 147.367 1.00855.43 C ATOM 27094 C6 G B1317 -852.948 -47.072 146.956 1.00855.43 C ATOM 27095 O6 G B1317 -852.302 -47.224 145.912 1.00855.43 O ATOM 27096 N1 G B1317 -852.519 -46.150 147.903 1.00855.43 N ATOM 27097 C2 G B1317 -853.153 -45.885 149.094 1.00855.43 C ATOM 27098 N2 G B1317 -852.581 -44.958 149.876 1.00855.43 N ATOM 27099 N3 G B1317 -854.263 -46.487 149.488 1.00855.43 N ATOM 27100 C4 G B1317 -854.698 -47.390 148.581 1.00855.43 C ATOM 27101 P A B1318 -860.389 -45.352 148.237 1.00855.43 P ATOM 27102 O1P A B1318 -861.740 -44.859 148.608 1.00855.43 O ATOM 27103 O2P A B1318 -860.138 -45.829 146.851 1.00855.43 O ATOM 27104 O5* A B1318 -859.330 -44.206 148.553 1.00855.43 O ATOM 27105 C5* A B1318 -859.479 -43.366 149.698 1.00855.43 C ATOM 27106 C4* A B1318 -858.321 -42.399 149.792 1.00855.43 C ATOM 27107 O4* A B1318 -857.074 -43.139 149.844 1.00855.43 O ATOM 27108 C3* A B1318 -858.148 -41.430 148.629 1.00855.43 C ATOM 27109 O3* A B1318 -858.982 -40.288 148.761 1.00855.43 O ATOM 27110 C2* A B1318 -856.665 -41.089 148.698 1.00855.43 C ATOM 27111 O2* A B1318 -856.382 -40.085 149.653 1.00855.43 O ATOM 27112 C1* A B1318 -856.062 -42.417 149.157 1.00855.43 C ATOM 27113 N9 A B1318 -855.603 -43.239 148.039 1.00855.43 N ATOM 27114 C8 A B1318 -856.164 -44.398 147.563 1.00855.43 C ATOM 27115 N7 A B1318 -855.526 -44.913 146.538 1.00855.43 N ATOM 27116 C5 A B1318 -854.474 -44.032 146.324 1.00855.43 C ATOM 27117 C6 A B1318 -853.432 -44.014 145.379 1.00855.43 C ATOM 27118 N6 A B1318 -853.271 -44.944 144.436 1.00855.43 N ATOM 27119 N1 A B1318 -852.552 -42.989 145.435 1.00855.43 N ATOM 27120 C2 A B1318 -852.718 -42.056 146.381 1.00855.43 C ATOM 27121 N3 A B1318 -853.650 -41.963 147.323 1.00855.43 N ATOM 27122 C4 A B1318 -854.511 -42.994 147.242 1.00855.43 C ATOM 27123 P C B1319 -859.489 -39.521 147.443 1.00855.43 P ATOM 27124 O1P C B1319 -860.442 -38.470 147.889 1.00855.43 O ATOM 27125 O2P C B1319 -859.930 -40.536 146.454 1.00855.43 O ATOM 27126 O5* C B1319 -858.180 -38.801 146.884 1.00855.43 O ATOM 27127 C5* C B1319 -857.685 -37.627 147.514 1.00855.43 C ATOM 27128 C4* C B1319 -856.317 -37.258 146.983 1.00855.43 C ATOM 27129 O4* C B1319 -855.416 -38.397 147.053 1.00855.43 O ATOM 27130 C3* C B1319 -856.208 -36.771 145.548 1.00855.43 C ATOM 27131 O3* C B1319 -856.530 -35.395 145.415 1.00855.43 O ATOM 27132 C2* C B1319 -854.733 -37.005 145.248 1.00855.43 C ATOM 27133 O2* C B1319 -853.907 -35.964 145.737 1.00855.43 O ATOM 27134 C1* C B1319 -854.445 -38.289 146.023 1.00855.43 C ATOM 27135 N1 C B1319 -854.522 -39.461 145.136 1.00855.43 N ATOM 27136 C2 C B1319 -853.507 -39.636 144.186 1.00855.43 C ATOM 27137 O2 C B1319 -852.560 -38.840 144.169 1.00855.43 O ATOM 27138 N3 C B1319 -853.585 -40.665 143.313 1.00855.43 N ATOM 27139 C4 C B1319 -854.615 -41.509 143.367 1.00855.43 C ATOM 27140 N4 C B1319 -854.654 -42.497 142.467 1.00855.43 N ATOM 27141 C5 C B1319 -855.649 -41.373 144.344 1.00855.43 C ATOM 27142 C6 C B1319 -855.562 -40.346 145.204 1.00855.43 C ATOM 27143 P A B1320 -857.050 -34.841 143.994 1.00855.43 P ATOM 27144 O1P A B1320 -856.874 -33.370 143.983 1.00855.43 O ATOM 27145 O2P A B1320 -858.394 -35.423 143.741 1.00855.43 O ATOM 27146 O5* A B1320 -856.035 -35.471 142.938 1.00855.43 O ATOM 27147 C5* A B1320 -854.865 -34.767 142.537 1.00855.43 C ATOM 27148 C4* A B1320 -854.561 -35.034 141.082 1.00855.43 C ATOM 27149 O4* A B1320 -854.071 -36.392 140.927 1.00855.43 O ATOM 27150 C3* A B1320 -855.697 -35.021 140.076 1.00855.43 C ATOM 27151 O3* A B1320 -856.055 -33.687 139.730 1.00855.43 O ATOM 27152 C2* A B1320 -855.144 -35.800 138.886 1.00855.43 C ATOM 27153 O2* A B1320 -854.388 -34.993 138.008 1.00855.43 O ATOM 27154 C1* A B1320 -854.224 -36.806 139.580 1.00855.43 C ATOM 27155 N9 A B1320 -854.803 -38.148 139.583 1.00855.43 N ATOM 27156 C8 A B1320 -855.306 -38.843 140.655 1.00855.43 C ATOM 27157 N7 A B1320 -855.781 -40.023 140.344 1.00855.43 N ATOM 27158 C5 A B1320 -855.578 -40.115 138.973 1.00855.43 C ATOM 27159 C6 A B1320 -855.869 -41.122 138.040 1.00855.43 C ATOM 27160 N6 A B1320 -856.454 -42.280 138.359 1.00855.43 N ATOM 27161 N1 A B1320 -855.535 -40.896 136.750 1.00855.43 N ATOM 27162 C2 A B1320 -854.953 -39.735 136.435 1.00855.43 C ATOM 27163 N3 A B1320 -854.627 -38.713 137.221 1.00855.43 N ATOM 27164 C4 A B1320 -854.971 -38.969 138.495 1.00855.43 C ATOM 27165 P A B1321 -857.536 -33.382 139.183 1.00855.43 P ATOM 27166 O1P A B1321 -857.632 -31.919 138.947 1.00855.43 O ATOM 27167 O2P A B1321 -858.507 -34.044 140.092 1.00855.43 O ATOM 27168 O5* A B1321 -857.596 -34.119 137.773 1.00855.43 O ATOM 27169 C5* A B1321 -857.105 -33.483 136.599 1.00855.43 C ATOM 27170 C4* A B1321 -857.539 -34.238 135.361 1.00855.43 C ATOM 27171 O4* A B1321 -856.877 -35.528 135.323 1.00855.43 O ATOM 27172 C3* A B1321 -858.994 -34.609 135.230 1.00855.43 C ATOM 27173 O3* A B1321 -859.731 -33.505 134.736 1.00855.43 O ATOM 27174 C2* A B1321 -858.975 -35.750 134.225 1.00855.43 C ATOM 27175 O2* A B1321 -858.933 -35.295 132.887 1.00855.43 O ATOM 27176 C1* A B1321 -857.663 -36.447 134.578 1.00855.43 C ATOM 27177 N9 A B1321 -857.930 -37.617 135.412 1.00855.43 N ATOM 27178 C8 A B1321 -858.060 -37.677 136.776 1.00855.43 C ATOM 27179 N7 A B1321 -858.364 -38.868 137.226 1.00855.43 N ATOM 27180 C5 A B1321 -858.425 -39.650 136.080 1.00855.43 C ATOM 27181 C6 A B1321 -858.714 -41.012 135.873 1.00855.43 C ATOM 27182 N6 A B1321 -859.022 -41.863 136.854 1.00855.43 N ATOM 27183 N1 A B1321 -858.681 -41.473 134.606 1.00855.43 N ATOM 27184 C2 A B1321 -858.390 -40.619 133.619 1.00855.43 C ATOM 27185 N3 A B1321 -858.111 -39.320 133.683 1.00855.43 N ATOM 27186 C4 A B1321 -858.146 -38.893 134.957 1.00855.43 C ATOM 27187 P G B1322 -861.298 -33.382 135.072 1.00855.43 P ATOM 27188 O1P G B1322 -861.756 -32.154 134.386 1.00855.43 O ATOM 27189 O2P G B1322 -861.505 -33.534 136.536 1.00855.43 O ATOM 27190 O5* G B1322 -861.984 -34.608 134.319 1.00855.43 O ATOM 27191 C5* G B1322 -861.915 -34.702 132.900 1.00855.43 C ATOM 27192 C4* G B1322 -862.290 -36.089 132.427 1.00855.43 C ATOM 27193 O4* G B1322 -861.342 -37.055 132.956 1.00855.43 O ATOM 27194 C3* G B1322 -863.633 -36.538 132.933 1.00855.43 C ATOM 27195 O3* G B1322 -864.618 -36.129 131.990 1.00855.43 O ATOM 27196 C2* G B1322 -863.499 -38.056 132.963 1.00855.43 C ATOM 27197 O2* G B1322 -863.725 -38.649 131.701 1.00855.43 O ATOM 27198 C1* G B1322 -862.032 -38.227 133.353 1.00855.43 C ATOM 27199 N9 G B1322 -861.924 -38.362 134.801 1.00855.43 N ATOM 27200 C8 G B1322 -861.815 -37.351 135.726 1.00855.43 C ATOM 27201 N7 G B1322 -861.803 -37.783 136.954 1.00855.43 N ATOM 27202 C5 G B1322 -861.899 -39.163 136.833 1.00855.43 C ATOM 27203 C6 G B1322 -861.947 -40.169 137.826 1.00855.43 C ATOM 27204 O6 G B1322 -861.921 -40.037 139.055 1.00855.43 O ATOM 27205 N1 G B1322 -862.036 -41.438 137.265 1.00855.43 N ATOM 27206 C2 G B1322 -862.083 -41.706 135.919 1.00855.43 C ATOM 27207 N2 G B1322 -862.164 -42.998 135.570 1.00855.43 N ATOM 27208 N3 G B1322 -862.051 -40.774 134.982 1.00855.43 N ATOM 27209 C4 G B1322 -861.959 -39.535 135.508 1.00855.43 C ATOM 27210 P G B1323 -865.838 -35.197 132.475 1.00855.43 P ATOM 27211 O1P G B1323 -865.866 -34.002 131.595 1.00855.43 O ATOM 27212 O2P G B1323 -865.728 -35.019 133.945 1.00855.43 O ATOM 27213 O5* G B1323 -867.143 -36.061 132.177 1.00855.43 O ATOM 27214 C5* G B1323 -867.200 -36.936 131.051 1.00855.43 C ATOM 27215 C4* G B1323 -867.472 -38.357 131.488 1.00855.43 C ATOM 27216 O4* G B1323 -866.427 -38.820 132.380 1.00855.43 O ATOM 27217 C3* G B1323 -868.771 -38.540 132.250 1.00855.43 C ATOM 27218 O3* G B1323 -869.835 -38.779 131.335 1.00855.43 O ATOM 27219 C2* G B1323 -868.493 -39.764 133.122 1.00855.43 C ATOM 27220 O2* G B1323 -868.724 -40.981 132.440 1.00855.43 O ATOM 27221 C1* G B1323 -866.993 -39.621 133.403 1.00855.43 C ATOM 27222 N9 G B1323 -866.690 -39.017 134.695 1.00855.43 N ATOM 27223 C8 G B1323 -866.358 -37.708 134.946 1.00855.43 C ATOM 27224 N7 G B1323 -866.139 -37.468 136.212 1.00855.43 N ATOM 27225 C5 G B1323 -866.335 -38.692 136.835 1.00855.43 C ATOM 27226 C6 G B1323 -866.238 -39.054 138.203 1.00855.43 C ATOM 27227 O6 G B1323 -865.950 -38.337 139.172 1.00855.43 O ATOM 27228 N1 G B1323 -866.520 -40.402 138.398 1.00855.43 N ATOM 27229 C2 G B1323 -866.850 -41.290 137.403 1.00855.43 C ATOM 27230 N2 G B1323 -867.080 -42.554 137.797 1.00855.43 N ATOM 27231 N3 G B1323 -866.947 -40.967 136.124 1.00855.43 N ATOM 27232 C4 G B1323 -866.677 -39.661 135.915 1.00855.43 C ATOM 27233 P G B1324 -870.763 -37.558 130.866 1.00855.43 P ATOM 27234 O1P G B1324 -872.049 -38.128 130.385 1.00855.43 O ATOM 27235 O2P G B1324 -869.972 -36.678 129.967 1.00855.43 O ATOM 27236 O5* G B1324 -871.050 -36.768 132.215 1.00855.43 O ATOM 27237 C5* G B1324 -872.254 -36.974 132.941 1.00855.43 C ATOM 27238 C4* G B1324 -871.944 -37.439 134.340 1.00855.43 C ATOM 27239 O4* G B1324 -870.963 -36.567 134.944 1.00855.43 O ATOM 27240 C3* G B1324 -873.097 -37.431 135.313 1.00855.43 C ATOM 27241 O3* G B1324 -873.875 -38.606 135.132 1.00855.43 O ATOM 27242 C2* G B1324 -872.411 -37.356 136.671 1.00855.43 C ATOM 27243 O2* G B1324 -872.015 -38.625 137.155 1.00855.43 O ATOM 27244 C1* G B1324 -871.170 -36.515 136.344 1.00855.43 C ATOM 27245 N9 G B1324 -871.297 -35.110 136.708 1.00855.43 N ATOM 27246 C8 G B1324 -872.352 -34.280 136.411 1.00855.43 C ATOM 27247 N7 G B1324 -872.177 -33.059 136.834 1.00855.43 N ATOM 27248 C5 G B1324 -870.938 -33.083 137.455 1.00855.43 C ATOM 27249 C6 G B1324 -870.211 -32.050 138.101 1.00855.43 C ATOM 27250 O6 G B1324 -870.532 -30.866 138.255 1.00855.43 O ATOM 27251 N1 G B1324 -868.998 -32.512 138.596 1.00855.43 N ATOM 27252 C2 G B1324 -868.538 -33.799 138.485 1.00855.43 C ATOM 27253 N2 G B1324 -867.337 -34.050 139.033 1.00855.43 N ATOM 27254 N3 G B1324 -869.200 -34.772 137.881 1.00855.43 N ATOM 27255 C4 G B1324 -870.385 -34.346 137.394 1.00855.43 C ATOM 27256 P U B1325 -875.422 -38.472 134.742 1.00855.43 P ATOM 27257 O1P U B1325 -875.536 -38.618 133.269 1.00855.43 O ATOM 27258 O2P U B1325 -875.936 -37.244 135.401 1.00855.43 O ATOM 27259 O5* U B1325 -876.083 -39.747 135.434 1.00855.43 O ATOM 27260 C5* U B1325 -875.363 -40.972 135.523 1.00855.43 C ATOM 27261 C4* U B1325 -874.833 -41.175 136.922 1.00855.43 C ATOM 27262 O4* U B1325 -874.230 -39.957 137.417 1.00855.43 O ATOM 27263 C3* U B1325 -875.857 -41.577 137.968 1.00855.43 C ATOM 27264 O3* U B1325 -875.943 -42.996 137.917 1.00855.43 O ATOM 27265 C2* U B1325 -875.226 -41.085 139.270 1.00855.43 C ATOM 27266 O2* U B1325 -874.311 -42.016 139.813 1.00855.43 O ATOM 27267 C1* U B1325 -874.459 -39.839 138.807 1.00855.43 C ATOM 27268 N1 U B1325 -875.189 -38.586 139.038 1.00855.43 N ATOM 27269 C2 U B1325 -874.769 -37.754 140.056 1.00855.43 C ATOM 27270 O2 U B1325 -873.806 -37.997 140.755 1.00855.43 O ATOM 27271 N3 U B1325 -875.524 -36.617 140.214 1.00855.43 N ATOM 27272 C4 U B1325 -876.623 -36.244 139.468 1.00855.43 C ATOM 27273 O4 U B1325 -877.237 -35.218 139.755 1.00855.43 O ATOM 27274 C5 U B1325 -876.967 -37.147 138.441 1.00855.43 C ATOM 27275 C6 U B1325 -876.260 -38.259 138.266 1.00855.43 C ATOM 27276 P U B1326 -876.556 -43.820 139.148 1.00855.43 P ATOM 27277 O1P U B1326 -877.323 -44.967 138.593 1.00855.43 O ATOM 27278 O2P U B1326 -877.220 -42.888 140.093 1.00855.43 O ATOM 27279 O5* U B1326 -875.248 -44.400 139.850 1.00855.43 O ATOM 27280 C5* U B1326 -874.273 -45.103 139.090 1.00855.43 C ATOM 27281 C4* U B1326 -872.900 -44.987 139.726 1.00855.43 C ATOM 27282 O4* U B1326 -872.394 -43.626 139.640 1.00855.43 O ATOM 27283 C3* U B1326 -872.784 -45.373 141.174 1.00855.43 C ATOM 27284 O3* U B1326 -872.580 -46.780 141.232 1.00855.43 O ATOM 27285 C2* U B1326 -871.523 -44.632 141.620 1.00855.43 C ATOM 27286 O2* U B1326 -870.347 -45.358 141.320 1.00855.43 O ATOM 27287 C1* U B1326 -871.567 -43.359 140.764 1.00855.43 C ATOM 27288 N1 U B1326 -872.076 -42.190 141.497 1.00855.43 N ATOM 27289 C2 U B1326 -871.870 -40.926 140.946 1.00855.43 C ATOM 27290 O2 U B1326 -871.340 -40.757 139.865 1.00855.43 O ATOM 27291 N3 U B1326 -872.310 -39.869 141.716 1.00855.43 N ATOM 27292 C4 U B1326 -872.917 -39.951 142.935 1.00855.43 C ATOM 27293 O4 U B1326 -873.106 -38.923 143.561 1.00855.43 O ATOM 27294 C5 U B1326 -873.128 -41.279 143.419 1.00855.43 C ATOM 27295 C6 U B1326 -872.711 -42.325 142.702 1.00855.43 C ATOM 27296 P C B1327 -872.858 -47.568 142.609 1.00855.43 P ATOM 27297 O1P C B1327 -871.988 -48.770 142.626 1.00855.43 O ATOM 27298 O2P C B1327 -874.327 -47.720 142.773 1.00855.43 O ATOM 27299 O5* C B1327 -872.340 -46.565 143.734 1.00855.43 O ATOM 27300 C5* C B1327 -871.471 -46.999 144.777 1.00855.43 C ATOM 27301 C4* C B1327 -872.067 -46.640 146.117 1.00855.43 C ATOM 27302 O4* C B1327 -872.294 -45.207 146.145 1.00855.43 O ATOM 27303 C3* C B1327 -873.438 -47.218 146.434 1.00855.43 C ATOM 27304 O3* C B1327 -873.375 -48.555 146.913 1.00855.43 O ATOM 27305 C2* C B1327 -873.978 -46.239 147.467 1.00855.43 C ATOM 27306 O2* C B1327 -873.495 -46.490 148.770 1.00855.43 O ATOM 27307 C1* C B1327 -873.416 -44.912 146.954 1.00855.43 C ATOM 27308 N1 C B1327 -874.374 -44.175 146.113 1.00855.43 N ATOM 27309 C2 C B1327 -875.134 -43.148 146.676 1.00855.43 C ATOM 27310 O2 C B1327 -874.971 -42.864 147.871 1.00855.43 O ATOM 27311 N3 C B1327 -876.029 -42.490 145.900 1.00855.43 N ATOM 27312 C4 C B1327 -876.170 -42.825 144.617 1.00855.43 C ATOM 27313 N4 C B1327 -877.072 -42.157 143.892 1.00855.43 N ATOM 27314 C5 C B1327 -875.401 -43.859 144.016 1.00855.43 C ATOM 27315 C6 C B1327 -874.523 -44.500 144.793 1.00855.43 C ATOM 27316 P C B1328 -874.670 -49.498 146.810 1.00855.43 P ATOM 27317 O1P C B1328 -874.303 -50.823 147.368 1.00855.43 O ATOM 27318 O2P C B1328 -875.207 -49.406 145.427 1.00855.43 O ATOM 27319 O5* C B1328 -875.718 -48.817 147.796 1.00855.43 O ATOM 27320 C5* C B1328 -875.502 -48.827 149.203 1.00855.43 C ATOM 27321 C4* C B1328 -876.347 -47.770 149.869 1.00855.43 C ATOM 27322 O4* C B1328 -876.512 -46.641 148.973 1.00855.43 O ATOM 27323 C3* C B1328 -877.782 -48.097 150.230 1.00855.43 C ATOM 27324 O3* C B1328 -877.815 -48.844 151.437 1.00855.43 O ATOM 27325 C2* C B1328 -878.430 -46.725 150.378 1.00855.43 C ATOM 27326 O2* C B1328 -878.229 -46.162 151.659 1.00855.43 O ATOM 27327 C1* C B1328 -877.670 -45.908 149.332 1.00855.43 C ATOM 27328 N1 C B1328 -878.475 -45.682 148.124 1.00855.43 N ATOM 27329 C2 C B1328 -879.628 -44.899 148.223 1.00855.43 C ATOM 27330 O2 C B1328 -879.924 -44.403 149.320 1.00855.43 O ATOM 27331 N3 C B1328 -880.395 -44.702 147.123 1.00855.43 N ATOM 27332 C4 C B1328 -880.041 -45.255 145.958 1.00855.43 C ATOM 27333 N4 C B1328 -880.833 -45.046 144.905 1.00855.43 N ATOM 27334 C5 C B1328 -878.865 -46.048 145.827 1.00855.43 C ATOM 27335 C6 C B1328 -878.119 -46.232 146.924 1.00855.43 C ATOM 27336 P U B1329 -879.177 -49.580 151.868 1.00855.43 P ATOM 27337 O1P U B1329 -879.001 -50.087 153.253 1.00855.43 O ATOM 27338 O2P U B1329 -879.561 -50.519 150.786 1.00855.43 O ATOM 27339 O5* U B1329 -880.243 -48.397 151.901 1.00855.43 O ATOM 27340 C5* U B1329 -880.806 -47.969 153.136 1.00855.43 C ATOM 27341 C4* U B1329 -882.309 -47.852 153.019 1.00855.43 C ATOM 27342 O4* U B1329 -882.673 -46.656 152.284 1.00855.43 O ATOM 27343 C3* U B1329 -882.978 -48.979 152.262 1.00855.43 C ATOM 27344 O3* U B1329 -883.186 -50.137 153.060 1.00855.43 O ATOM 27345 C2* U B1329 -884.287 -48.345 151.806 1.00855.43 C ATOM 27346 O2* U B1329 -885.282 -48.371 152.808 1.00855.43 O ATOM 27347 C1* U B1329 -883.863 -46.896 151.546 1.00855.43 C ATOM 27348 N1 U B1329 -883.603 -46.629 150.128 1.00855.43 N ATOM 27349 C2 U B1329 -884.492 -45.804 149.456 1.00855.43 C ATOM 27350 O2 U B1329 -885.454 -45.289 149.999 1.00855.43 O ATOM 27351 N3 U B1329 -884.209 -45.605 148.128 1.00855.43 N ATOM 27352 C4 U B1329 -883.151 -46.132 147.417 1.00855.43 C ATOM 27353 O4 U B1329 -883.038 -45.871 146.217 1.00855.43 O ATOM 27354 C5 U B1329 -882.278 -46.968 148.180 1.00855.43 C ATOM 27355 C6 U B1329 -882.525 -47.180 149.477 1.00855.43 C ATOM 27356 P G B1330 -882.590 -51.545 152.569 1.00855.43 P ATOM 27357 O1P G B1330 -883.631 -52.579 152.798 1.00855.43 O ATOM 27358 O2P G B1330 -881.242 -51.716 153.168 1.00855.43 O ATOM 27359 O5* G B1330 -882.423 -51.339 151.001 1.00855.43 O ATOM 27360 C5* G B1330 -882.933 -52.307 150.091 1.00855.43 C ATOM 27361 C4* G B1330 -884.253 -51.847 149.518 1.00855.43 C ATOM 27362 O4* G B1330 -884.194 -50.446 149.139 1.00855.43 O ATOM 27363 C3* G B1330 -884.724 -52.569 148.273 1.00855.43 C ATOM 27364 O3* G B1330 -885.358 -53.798 148.595 1.00855.43 O ATOM 27365 C2* G B1330 -885.685 -51.563 147.647 1.00855.43 C ATOM 27366 O2* G B1330 -886.976 -51.622 148.218 1.00855.43 O ATOM 27367 C1* G B1330 -885.020 -50.233 148.003 1.00855.43 C ATOM 27368 N9 G B1330 -884.196 -49.730 146.908 1.00855.43 N ATOM 27369 C8 G B1330 -882.868 -50.001 146.673 1.00855.43 C ATOM 27370 N7 G B1330 -882.412 -49.420 145.596 1.00855.43 N ATOM 27371 C5 G B1330 -883.499 -48.720 145.091 1.00855.43 C ATOM 27372 C6 G B1330 -883.613 -47.903 143.932 1.00855.43 C ATOM 27373 O6 G B1330 -882.748 -47.624 143.098 1.00855.43 O ATOM 27374 N1 G B1330 -884.896 -47.388 143.795 1.00855.43 N ATOM 27375 C2 G B1330 -885.939 -47.626 144.656 1.00855.43 C ATOM 27376 N2 G B1330 -887.103 -47.032 144.346 1.00855.43 N ATOM 27377 N3 G B1330 -885.849 -48.387 145.734 1.00855.43 N ATOM 27378 C4 G B1330 -884.609 -48.899 145.890 1.00855.43 C ATOM 27379 P G B1331 -885.749 -54.806 147.411 1.00855.43 P ATOM 27380 O1P G B1331 -885.688 -56.189 147.945 1.00855.43 O ATOM 27381 O2P G B1331 -884.951 -54.446 146.210 1.00855.43 O ATOM 27382 O5* G B1331 -887.272 -54.444 147.125 1.00855.43 O ATOM 27383 C5* G B1331 -887.874 -54.731 145.872 1.00855.43 C ATOM 27384 C4* G B1331 -888.557 -53.501 145.334 1.00855.43 C ATOM 27385 O4* G B1331 -887.712 -52.339 145.535 1.00855.43 O ATOM 27386 C3* G B1331 -888.842 -53.528 143.849 1.00855.43 C ATOM 27387 O3* G B1331 -890.062 -54.208 143.595 1.00855.43 O ATOM 27388 C2* G B1331 -888.882 -52.051 143.482 1.00855.43 C ATOM 27389 O2* G B1331 -890.135 -51.453 143.756 1.00855.43 O ATOM 27390 C1* G B1331 -887.823 -51.467 144.422 1.00855.43 C ATOM 27391 N9 G B1331 -886.506 -51.372 143.803 1.00855.43 N ATOM 27392 C8 G B1331 -885.388 -52.087 144.151 1.00855.43 C ATOM 27393 N7 G B1331 -884.347 -51.797 143.421 1.00855.43 N ATOM 27394 C5 G B1331 -884.804 -50.833 142.538 1.00855.43 C ATOM 27395 C6 G B1331 -884.124 -50.140 141.507 1.00855.43 C ATOM 27396 O6 G B1331 -882.943 -50.245 141.161 1.00855.43 O ATOM 27397 N1 G B1331 -884.964 -49.246 140.849 1.00855.43 N ATOM 27398 C2 G B1331 -886.288 -49.043 141.147 1.00855.43 C ATOM 27399 N2 G B1331 -886.928 -48.135 140.393 1.00855.43 N ATOM 27400 N3 G B1331 -886.935 -49.681 142.110 1.00855.43 N ATOM 27401 C4 G B1331 -886.138 -50.557 142.758 1.00855.43 C ATOM 27402 P G B1332 -890.025 -55.719 143.052 1.00855.43 P ATOM 27403 O1P G B1332 -891.188 -56.433 143.635 1.00855.43 O ATOM 27404 O2P G B1332 -888.656 -56.254 143.264 1.00855.43 O ATOM 27405 O5* G B1332 -890.265 -55.550 141.491 1.00855.43 O ATOM 27406 C5* G B1332 -891.319 -56.249 140.837 1.00855.43 C ATOM 27407 C4* G B1332 -891.361 -55.881 139.375 1.00855.43 C ATOM 27408 O4* G B1332 -891.352 -54.441 139.218 1.00855.43 O ATOM 27409 C3* G B1332 -890.193 -56.405 138.518 1.00855.43 C ATOM 27410 O3* G B1332 -890.360 -57.736 138.049 1.00855.43 O ATOM 27411 C2* G B1332 -890.137 -55.381 137.389 1.00855.43 C ATOM 27412 O2* G B1332 -891.061 -55.662 136.356 1.00855.43 O ATOM 27413 C1* G B1332 -890.557 -54.088 138.100 1.00855.43 C ATOM 27414 N9 G B1332 -889.457 -53.251 138.573 1.00855.43 N ATOM 27415 C8 G B1332 -889.381 -52.592 139.775 1.00855.43 C ATOM 27416 N7 G B1332 -888.292 -51.884 139.903 1.00855.43 N ATOM 27417 C5 G B1332 -887.604 -52.092 138.719 1.00855.43 C ATOM 27418 C6 G B1332 -886.361 -51.575 138.277 1.00855.43 C ATOM 27419 O6 G B1332 -885.595 -50.801 138.866 1.00855.43 O ATOM 27420 N1 G B1332 -886.026 -52.049 137.012 1.00855.43 N ATOM 27421 C2 G B1332 -886.791 -52.909 136.267 1.00855.43 C ATOM 27422 N2 G B1332 -886.284 -53.260 135.073 1.00855.43 N ATOM 27423 N3 G B1332 -887.959 -53.394 136.660 1.00855.43 N ATOM 27424 C4 G B1332 -888.301 -52.947 137.889 1.00855.43 C ATOM 27425 P G B1333 -889.086 -58.576 137.553 1.00855.43 P ATOM 27426 O1P G B1333 -888.892 -59.706 138.495 1.00855.43 O ATOM 27427 O2P G B1333 -887.966 -57.632 137.302 1.00855.43 O ATOM 27428 O5* G B1333 -889.554 -59.177 136.156 1.00855.43 O ATOM 27429 C5* G B1333 -890.663 -58.628 135.445 1.00855.43 C ATOM 27430 C4* G B1333 -890.157 -57.702 134.375 1.00855.43 C ATOM 27431 O4* G B1333 -888.747 -57.463 134.590 1.00855.43 O ATOM 27432 C3* G B1333 -890.257 -58.176 132.932 1.00855.43 C ATOM 27433 O3* G B1333 -891.563 -57.904 132.430 1.00855.43 O ATOM 27434 C2* G B1333 -889.139 -57.407 132.236 1.00855.43 C ATOM 27435 O2* G B1333 -889.532 -56.115 131.821 1.00855.43 O ATOM 27436 C1* G B1333 -888.093 -57.295 133.353 1.00855.43 C ATOM 27437 N9 G B1333 -887.013 -58.276 133.325 1.00855.43 N ATOM 27438 C8 G B1333 -887.009 -59.501 132.710 1.00855.43 C ATOM 27439 N7 G B1333 -885.926 -60.189 132.944 1.00855.43 N ATOM 27440 C5 G B1333 -885.158 -59.358 133.746 1.00855.43 C ATOM 27441 C6 G B1333 -883.881 -59.563 134.331 1.00855.43 C ATOM 27442 O6 G B1333 -883.149 -60.555 134.258 1.00855.43 O ATOM 27443 N1 G B1333 -883.473 -58.454 135.065 1.00855.43 N ATOM 27444 C2 G B1333 -884.202 -57.301 135.226 1.00855.43 C ATOM 27445 N2 G B1333 -883.637 -56.345 135.973 1.00855.43 N ATOM 27446 N3 G B1333 -885.395 -57.102 134.696 1.00855.43 N ATOM 27447 C4 G B1333 -885.807 -58.164 133.976 1.00855.43 C ATOM 27448 P A B1334 -892.066 -58.577 131.065 1.00855.43 P ATOM 27449 O1P A B1334 -893.535 -58.767 131.176 1.00855.43 O ATOM 27450 O2P A B1334 -891.199 -59.734 130.733 1.00855.43 O ATOM 27451 O5* A B1334 -891.799 -57.428 129.992 1.00855.43 O ATOM 27452 C5* A B1334 -890.595 -57.407 129.233 1.00855.43 C ATOM 27453 C4* A B1334 -890.651 -56.319 128.180 1.00855.43 C ATOM 27454 O4* A B1334 -890.899 -55.034 128.809 1.00855.43 O ATOM 27455 C3* A B1334 -889.365 -56.106 127.415 1.00855.43 C ATOM 27456 O3* A B1334 -889.232 -57.060 126.371 1.00855.43 O ATOM 27457 C2* A B1334 -889.492 -54.669 126.922 1.00855.43 C ATOM 27458 O2* A B1334 -890.274 -54.556 125.751 1.00855.43 O ATOM 27459 C1* A B1334 -890.219 -54.009 128.095 1.00855.43 C ATOM 27460 N9 A B1334 -889.284 -53.354 129.011 1.00855.43 N ATOM 27461 C8 A B1334 -888.470 -53.950 129.942 1.00855.43 C ATOM 27462 N7 A B1334 -887.716 -53.108 130.606 1.00855.43 N ATOM 27463 C5 A B1334 -888.059 -51.869 130.081 1.00855.43 C ATOM 27464 C6 A B1334 -887.610 -50.564 130.362 1.00855.43 C ATOM 27465 N6 A B1334 -886.681 -50.286 131.276 1.00855.43 N ATOM 27466 N1 A B1334 -888.156 -49.550 129.659 1.00855.43 N ATOM 27467 C2 A B1334 -889.088 -49.835 128.740 1.00855.43 C ATOM 27468 N3 A B1334 -889.590 -51.017 128.385 1.00855.43 N ATOM 27469 C4 A B1334 -889.027 -52.005 129.101 1.00855.43 C ATOM 27470 P A B1335 -887.882 -57.928 126.270 1.00855.43 P ATOM 27471 O1P A B1335 -887.832 -58.599 124.956 1.00855.43 O ATOM 27472 O2P A B1335 -887.717 -58.720 127.514 1.00855.43 O ATOM 27473 O5* A B1335 -886.741 -56.832 126.174 1.00855.43 O ATOM 27474 C5* A B1335 -886.598 -56.078 124.982 1.00855.43 C ATOM 27475 C4* A B1335 -885.429 -55.151 125.098 1.00855.43 C ATOM 27476 O4* A B1335 -885.743 -54.124 126.073 1.00855.43 O ATOM 27477 C3* A B1335 -884.148 -55.749 125.629 1.00855.43 C ATOM 27478 O3* A B1335 -883.429 -56.470 124.640 1.00855.43 O ATOM 27479 C2* A B1335 -883.405 -54.526 126.141 1.00855.43 C ATOM 27480 O2* A B1335 -882.765 -53.812 125.103 1.00855.43 O ATOM 27481 C1* A B1335 -884.552 -53.695 126.714 1.00855.43 C ATOM 27482 N9 A B1335 -884.681 -53.944 128.146 1.00855.43 N ATOM 27483 C8 A B1335 -885.381 -54.931 128.799 1.00855.43 C ATOM 27484 N7 A B1335 -885.239 -54.911 130.099 1.00855.43 N ATOM 27485 C5 A B1335 -884.394 -53.832 130.322 1.00855.43 C ATOM 27486 C6 A B1335 -883.849 -53.281 131.497 1.00855.43 C ATOM 27487 N6 A B1335 -884.074 -53.765 132.719 1.00855.43 N ATOM 27488 N1 A B1335 -883.051 -52.199 131.370 1.00855.43 N ATOM 27489 C2 A B1335 -882.818 -51.713 130.143 1.00855.43 C ATOM 27490 N3 A B1335 -883.269 -52.146 128.970 1.00855.43 N ATOM 27491 C4 A B1335 -884.056 -53.218 129.131 1.00855.43 C ATOM 27492 P G B1336 -882.392 -57.610 125.095 1.00855.43 P ATOM 27493 O1P G B1336 -882.042 -58.417 123.900 1.00855.43 O ATOM 27494 O2P G B1336 -882.946 -58.284 126.296 1.00855.43 O ATOM 27495 O5* G B1336 -881.101 -56.791 125.542 1.00855.43 O ATOM 27496 C5* G B1336 -880.512 -55.837 124.667 1.00855.43 C ATOM 27497 C4* G B1336 -879.673 -54.859 125.437 1.00855.43 C ATOM 27498 O4* G B1336 -880.498 -54.165 126.403 1.00855.43 O ATOM 27499 C3* G B1336 -878.545 -55.436 126.257 1.00855.43 C ATOM 27500 O3* G B1336 -877.422 -55.678 125.416 1.00855.43 O ATOM 27501 C2* G B1336 -878.303 -54.357 127.302 1.00855.43 C ATOM 27502 O2* G B1336 -877.489 -53.309 126.821 1.00855.43 O ATOM 27503 C1* G B1336 -879.726 -53.841 127.544 1.00855.43 C ATOM 27504 N9 G B1336 -880.352 -54.491 128.686 1.00855.43 N ATOM 27505 C8 G B1336 -881.223 -55.554 128.653 1.00855.43 C ATOM 27506 N7 G B1336 -881.604 -55.941 129.838 1.00855.43 N ATOM 27507 C5 G B1336 -880.951 -55.081 130.706 1.00855.43 C ATOM 27508 C6 G B1336 -880.971 -55.017 132.121 1.00855.43 C ATOM 27509 O6 G B1336 -881.587 -55.736 132.914 1.00855.43 O ATOM 27510 N1 G B1336 -880.162 -53.990 132.597 1.00855.43 N ATOM 27511 C2 G B1336 -879.428 -53.132 131.813 1.00855.43 C ATOM 27512 N2 G B1336 -878.711 -52.204 132.462 1.00855.43 N ATOM 27513 N3 G B1336 -879.397 -53.186 130.494 1.00855.43 N ATOM 27514 C4 G B1336 -880.178 -54.177 130.011 1.00855.43 C ATOM 27515 P G B1337 -876.511 -56.979 125.665 1.00855.43 P ATOM 27516 O1P G B1337 -875.353 -56.896 124.739 1.00855.43 O ATOM 27517 O2P G B1337 -877.387 -58.179 125.640 1.00855.43 O ATOM 27518 O5* G B1337 -875.970 -56.780 127.152 1.00855.43 O ATOM 27519 C5* G B1337 -875.175 -55.651 127.485 1.00855.43 C ATOM 27520 C4* G B1337 -874.569 -55.815 128.859 1.00855.43 C ATOM 27521 O4* G B1337 -875.591 -55.780 129.875 1.00855.43 O ATOM 27522 C3* G B1337 -873.775 -57.088 129.059 1.00855.43 C ATOM 27523 O3* G B1337 -872.431 -56.949 128.614 1.00855.43 O ATOM 27524 C2* G B1337 -873.832 -57.241 130.584 1.00855.43 C ATOM 27525 O2* G B1337 -872.806 -56.538 131.246 1.00855.43 O ATOM 27526 C1* G B1337 -875.189 -56.617 130.934 1.00855.43 C ATOM 27527 N9 G B1337 -876.269 -57.528 131.294 1.00855.43 N ATOM 27528 C8 G B1337 -877.256 -58.065 130.501 1.00855.43 C ATOM 27529 N7 G B1337 -878.084 -58.831 131.164 1.00855.43 N ATOM 27530 C5 G B1337 -877.609 -58.799 132.467 1.00855.43 C ATOM 27531 C6 G B1337 -878.092 -59.432 133.655 1.00855.43 C ATOM 27532 O6 G B1337 -879.074 -60.169 133.798 1.00855.43 O ATOM 27533 N1 G B1337 -877.294 -59.127 134.753 1.00855.43 N ATOM 27534 C2 G B1337 -876.185 -58.317 134.724 1.00855.43 C ATOM 27535 N2 G B1337 -875.543 -58.136 135.884 1.00855.43 N ATOM 27536 N3 G B1337 -875.737 -57.725 133.640 1.00855.43 N ATOM 27537 C4 G B1337 -876.487 -58.004 132.558 1.00855.43 C ATOM 27538 P G B1338 -872.073 -57.130 127.059 1.00855.43 P ATOM 27539 O1P G B1338 -870.836 -57.941 126.975 1.00855.43 O ATOM 27540 O2P G B1338 -872.118 -55.790 126.420 1.00855.43 O ATOM 27541 O5* G B1338 -873.285 -57.994 126.495 1.00855.43 O ATOM 27542 C5* G B1338 -873.323 -59.399 126.689 1.00855.43 C ATOM 27543 C4* G B1338 -874.050 -60.066 125.546 1.00855.43 C ATOM 27544 O4* G B1338 -873.321 -59.855 124.317 1.00855.43 O ATOM 27545 C3* G B1338 -874.230 -61.584 125.685 1.00855.43 C ATOM 27546 O3* G B1338 -875.429 -61.921 126.375 1.00855.43 O ATOM 27547 C2* G B1338 -874.327 -62.028 124.222 1.00855.43 C ATOM 27548 O2* G B1338 -875.641 -61.931 123.715 1.00855.43 O ATOM 27549 C1* G B1338 -873.440 -61.004 123.508 1.00855.43 C ATOM 27550 N9 G B1338 -872.106 -61.441 123.106 1.00855.43 N ATOM 27551 C8 G B1338 -871.383 -62.485 123.622 1.00855.43 C ATOM 27552 N7 G B1338 -870.188 -62.587 123.109 1.00855.43 N ATOM 27553 C5 G B1338 -870.126 -61.554 122.184 1.00855.43 C ATOM 27554 C6 G B1338 -869.071 -61.157 121.324 1.00855.43 C ATOM 27555 O6 G B1338 -867.937 -61.636 121.222 1.00855.43 O ATOM 27556 N1 G B1338 -869.440 -60.074 120.536 1.00855.43 N ATOM 27557 C2 G B1338 -870.661 -59.449 120.569 1.00855.43 C ATOM 27558 N2 G B1338 -870.834 -58.438 119.707 1.00855.43 N ATOM 27559 N3 G B1338 -871.643 -59.797 121.385 1.00855.43 N ATOM 27560 C4 G B1338 -871.309 -60.851 122.155 1.00855.43 C ATOM 27561 P U B1339 -875.359 -62.611 127.829 1.00855.43 P ATOM 27562 O1P U B1339 -876.348 -61.914 128.689 1.00855.43 O ATOM 27563 O2P U B1339 -873.942 -62.697 128.260 1.00855.43 O ATOM 27564 O5* U B1339 -875.899 -64.085 127.563 1.00855.43 O ATOM 27565 C5* U B1339 -876.410 -64.452 126.287 1.00855.43 C ATOM 27566 C4* U B1339 -877.382 -65.596 126.431 1.00855.43 C ATOM 27567 O4* U B1339 -876.694 -66.730 127.018 1.00855.43 O ATOM 27568 C3* U B1339 -878.510 -65.316 127.381 1.00855.43 C ATOM 27569 O3* U B1339 -879.542 -64.652 126.666 1.00855.43 O ATOM 27570 C2* U B1339 -878.922 -66.700 127.865 1.00855.43 C ATOM 27571 O2* U B1339 -879.817 -67.345 126.980 1.00855.43 O ATOM 27572 C1* U B1339 -877.583 -67.445 127.860 1.00855.43 C ATOM 27573 N1 U B1339 -876.981 -67.521 129.199 1.00855.43 N ATOM 27574 C2 U B1339 -877.572 -68.359 130.121 1.00855.43 C ATOM 27575 O2 U B1339 -878.554 -69.034 129.869 1.00855.43 O ATOM 27576 N3 U B1339 -876.969 -68.378 131.355 1.00855.43 N ATOM 27577 C4 U B1339 -875.860 -67.658 131.749 1.00855.43 C ATOM 27578 O4 U B1339 -875.445 -67.769 132.904 1.00855.43 O ATOM 27579 C5 U B1339 -875.307 -66.815 130.735 1.00855.43 C ATOM 27580 C6 U B1339 -875.870 -66.776 129.525 1.00855.43 C ATOM 27581 P C B1340 -879.924 -63.138 127.046 1.00855.43 P ATOM 27582 O1P C B1340 -880.618 -62.543 125.877 1.00855.43 O ATOM 27583 O2P C B1340 -878.710 -62.478 127.596 1.00855.43 O ATOM 27584 O5* C B1340 -880.984 -63.296 128.228 1.00855.43 O ATOM 27585 C5* C B1340 -882.107 -64.162 128.085 1.00855.43 C ATOM 27586 C4* C B1340 -882.283 -65.003 129.327 1.00855.43 C ATOM 27587 O4* C B1340 -881.079 -65.774 129.573 1.00855.43 O ATOM 27588 C3* C B1340 -882.554 -64.229 130.610 1.00855.43 C ATOM 27589 O3* C B1340 -883.952 -64.014 130.778 1.00855.43 O ATOM 27590 C2* C B1340 -881.994 -65.148 131.688 1.00855.43 C ATOM 27591 O2* C B1340 -882.917 -66.138 132.092 1.00855.43 O ATOM 27592 C1* C B1340 -880.821 -65.813 130.965 1.00855.43 C ATOM 27593 N1 C B1340 -879.520 -65.178 131.221 1.00855.43 N ATOM 27594 C2 C B1340 -878.678 -65.737 132.187 1.00855.43 C ATOM 27595 O2 C B1340 -879.059 -66.742 132.806 1.00855.43 O ATOM 27596 N3 C B1340 -877.475 -65.168 132.427 1.00855.43 N ATOM 27597 C4 C B1340 -877.101 -64.086 131.745 1.00855.43 C ATOM 27598 N4 C B1340 -875.903 -63.562 132.008 1.00855.43 N ATOM 27599 C5 C B1340 -877.940 -63.493 130.756 1.00855.43 C ATOM 27600 C6 C B1340 -879.131 -64.064 130.529 1.00855.43 C ATOM 27601 P G B1341 -884.468 -62.837 131.745 1.00855.43 P ATOM 27602 O1P G B1341 -885.946 -62.806 131.648 1.00855.43 O ATOM 27603 O2P G B1341 -883.688 -61.607 131.449 1.00855.43 O ATOM 27604 O5* G B1341 -884.080 -63.339 133.204 1.00855.43 O ATOM 27605 C5* G B1341 -884.827 -64.367 133.843 1.00855.43 C ATOM 27606 C4* G B1341 -884.139 -64.800 135.114 1.00855.43 C ATOM 27607 O4* G B1341 -882.826 -65.337 134.810 1.00855.43 O ATOM 27608 C3* G B1341 -883.882 -63.720 136.148 1.00855.43 C ATOM 27609 O3* G B1341 -885.033 -63.488 136.959 1.00855.43 O ATOM 27610 C2* G B1341 -882.715 -64.290 136.949 1.00855.43 C ATOM 27611 O2* G B1341 -883.133 -65.191 137.954 1.00855.43 O ATOM 27612 C1* G B1341 -881.935 -65.049 135.871 1.00855.43 C ATOM 27613 N9 G B1341 -880.814 -64.277 135.341 1.00855.43 N ATOM 27614 C8 G B1341 -880.874 -63.230 134.450 1.00855.43 C ATOM 27615 N7 G B1341 -879.700 -62.728 134.172 1.00855.43 N ATOM 27616 C5 G B1341 -878.815 -63.487 134.925 1.00855.43 C ATOM 27617 C6 G B1341 -877.401 -63.414 135.037 1.00855.43 C ATOM 27618 O6 G B1341 -876.624 -62.631 134.473 1.00855.43 O ATOM 27619 N1 G B1341 -876.903 -64.376 135.909 1.00855.43 N ATOM 27620 C2 G B1341 -877.667 -65.294 136.588 1.00855.43 C ATOM 27621 N2 G B1341 -877.000 -66.141 137.385 1.00855.43 N ATOM 27622 N3 G B1341 -878.984 -65.374 136.491 1.00855.43 N ATOM 27623 C4 G B1341 -879.488 -64.449 135.649 1.00855.43 C ATOM 27624 P U B1342 -885.834 -62.102 136.823 1.00855.43 P ATOM 27625 O1P U B1342 -887.097 -62.243 137.592 1.00855.43 O ATOM 27626 O2P U B1342 -885.886 -61.736 135.389 1.00855.43 O ATOM 27627 O5* U B1342 -884.908 -61.042 137.571 1.00855.43 O ATOM 27628 C5* U B1342 -884.080 -61.450 138.654 1.00855.43 C ATOM 27629 C4* U B1342 -884.837 -61.364 139.955 1.00855.43 C ATOM 27630 O4* U B1342 -885.891 -62.345 139.948 1.00855.43 O ATOM 27631 C3* U B1342 -884.011 -61.638 141.228 1.00855.43 C ATOM 27632 O3* U B1342 -883.395 -60.456 141.729 1.00855.43 O ATOM 27633 C2* U B1342 -885.056 -62.196 142.197 1.00855.43 C ATOM 27634 O2* U B1342 -885.704 -61.186 142.942 1.00855.43 O ATOM 27635 C1* U B1342 -886.072 -62.851 141.250 1.00855.43 C ATOM 27636 N1 U B1342 -886.146 -64.314 141.151 1.00855.43 N ATOM 27637 C2 U B1342 -887.341 -64.922 141.489 1.00855.43 C ATOM 27638 O2 U B1342 -888.277 -64.311 141.975 1.00855.43 O ATOM 27639 N3 U B1342 -887.397 -66.268 141.236 1.00855.43 N ATOM 27640 C4 U B1342 -886.395 -67.055 140.708 1.00855.43 C ATOM 27641 O4 U B1342 -886.652 -68.212 140.377 1.00855.43 O ATOM 27642 C5 U B1342 -885.166 -66.366 140.454 1.00855.43 C ATOM 27643 C6 U B1342 -885.084 -65.056 140.682 1.00855.43 C ATOM 27644 P C B1343 -882.433 -60.528 143.012 1.00855.43 P ATOM 27645 O1P C B1343 -881.602 -61.753 142.883 1.00855.43 O ATOM 27646 O2P C B1343 -883.272 -60.335 144.224 1.00855.43 O ATOM 27647 O5* C B1343 -881.489 -59.259 142.856 1.00855.43 O ATOM 27648 C5* C B1343 -880.455 -59.003 143.794 1.00855.43 C ATOM 27649 C4* C B1343 -879.155 -58.751 143.077 1.00855.43 C ATOM 27650 O4* C B1343 -879.005 -59.711 142.003 1.00855.43 O ATOM 27651 C3* C B1343 -878.982 -57.408 142.394 1.00855.43 C ATOM 27652 O3* C B1343 -878.549 -56.444 143.348 1.00855.43 O ATOM 27653 C2* C B1343 -877.920 -57.693 141.342 1.00855.43 C ATOM 27654 O2* C B1343 -876.608 -57.625 141.867 1.00855.43 O ATOM 27655 C1* C B1343 -878.235 -59.143 140.961 1.00855.43 C ATOM 27656 N1 C B1343 -878.977 -59.269 139.698 1.00855.43 N ATOM 27657 C2 C B1343 -878.262 -59.237 138.502 1.00855.43 C ATOM 27658 O2 C B1343 -877.034 -59.077 138.550 1.00855.43 O ATOM 27659 N3 C B1343 -878.920 -59.372 137.329 1.00855.43 N ATOM 27660 C4 C B1343 -880.242 -59.537 137.323 1.00855.43 C ATOM 27661 N4 C B1343 -880.841 -59.684 136.136 1.00855.43 N ATOM 27662 C5 C B1343 -881.005 -59.562 138.527 1.00855.43 C ATOM 27663 C6 C B1343 -880.336 -59.427 139.683 1.00855.43 C ATOM 27664 P C B1344 -878.913 -54.893 143.132 1.00855.43 P ATOM 27665 O1P C B1344 -878.143 -54.117 144.137 1.00855.43 O ATOM 27666 O2P C B1344 -880.391 -54.759 143.075 1.00855.43 O ATOM 27667 O5* C B1344 -878.318 -54.562 141.692 1.00855.43 O ATOM 27668 C5* C B1344 -876.911 -54.556 141.476 1.00855.43 C ATOM 27669 C4* C B1344 -876.559 -53.697 140.284 1.00855.43 C ATOM 27670 O4* C B1344 -876.951 -54.356 139.052 1.00855.43 O ATOM 27671 C3* C B1344 -877.201 -52.318 140.181 1.00855.43 C ATOM 27672 O3* C B1344 -876.482 -51.388 140.985 1.00855.43 O ATOM 27673 C2* C B1344 -877.072 -51.995 138.694 1.00855.43 C ATOM 27674 O2* C B1344 -875.825 -51.416 138.368 1.00855.43 O ATOM 27675 C1* C B1344 -877.163 -53.380 138.050 1.00855.43 C ATOM 27676 N1 C B1344 -878.432 -53.659 137.360 1.00855.43 N ATOM 27677 C2 C B1344 -878.551 -53.302 136.016 1.00855.43 C ATOM 27678 O2 C B1344 -877.591 -52.755 135.454 1.00855.43 O ATOM 27679 N3 C B1344 -879.702 -53.567 135.359 1.00855.43 N ATOM 27680 C4 C B1344 -880.712 -54.161 135.996 1.00855.43 C ATOM 27681 N4 C B1344 -881.826 -54.409 135.304 1.00855.43 N ATOM 27682 C5 C B1344 -880.623 -54.527 137.369 1.00855.43 C ATOM 27683 C6 C B1344 -879.475 -54.261 138.009 1.00855.43 C ATOM 27684 P G B1345 -877.276 -50.245 141.788 1.00855.43 P ATOM 27685 O1P G B1345 -876.281 -49.510 142.609 1.00855.43 O ATOM 27686 O2P G B1345 -878.456 -50.862 142.447 1.00855.43 O ATOM 27687 O5* G B1345 -877.795 -49.267 140.643 1.00855.43 O ATOM 27688 C5* G B1345 -877.426 -47.890 140.618 1.00855.43 C ATOM 27689 C4* G B1345 -876.306 -47.674 139.627 1.00855.43 C ATOM 27690 O4* G B1345 -875.047 -48.032 140.246 1.00855.43 O ATOM 27691 C3* G B1345 -876.361 -48.511 138.359 1.00855.43 C ATOM 27692 O3* G B1345 -877.210 -47.939 137.365 1.00855.43 O ATOM 27693 C2* G B1345 -874.899 -48.579 137.925 1.00855.43 C ATOM 27694 O2* G B1345 -874.510 -47.466 137.146 1.00855.43 O ATOM 27695 C1* G B1345 -874.163 -48.545 139.270 1.00855.43 C ATOM 27696 N9 G B1345 -873.671 -49.833 139.749 1.00855.43 N ATOM 27697 C8 G B1345 -873.831 -50.366 141.007 1.00855.43 C ATOM 27698 N7 G B1345 -873.240 -51.524 141.149 1.00855.43 N ATOM 27699 C5 G B1345 -872.664 -51.772 139.912 1.00855.43 C ATOM 27700 C6 G B1345 -871.889 -52.873 139.460 1.00855.43 C ATOM 27701 O6 G B1345 -871.539 -53.878 140.091 1.00855.43 O ATOM 27702 N1 G B1345 -871.514 -52.721 138.132 1.00855.43 N ATOM 27703 C2 G B1345 -871.836 -51.650 137.333 1.00855.43 C ATOM 27704 N2 G B1345 -871.382 -51.694 136.072 1.00855.43 N ATOM 27705 N3 G B1345 -872.549 -50.615 137.746 1.00855.43 N ATOM 27706 C4 G B1345 -872.929 -50.741 139.032 1.00855.43 C ATOM 27707 P C B1346 -878.503 -48.750 136.860 1.00855.43 P ATOM 27708 O1P C B1346 -879.530 -48.618 137.925 1.00855.43 O ATOM 27709 O2P C B1346 -878.073 -50.101 136.420 1.00855.43 O ATOM 27710 O5* C B1346 -879.025 -47.947 135.587 1.00855.43 O ATOM 27711 C5* C B1346 -878.502 -48.203 134.288 1.00855.43 C ATOM 27712 C4* C B1346 -879.595 -48.701 133.363 1.00855.43 C ATOM 27713 O4* C B1346 -879.868 -50.095 133.649 1.00855.43 O ATOM 27714 C3* C B1346 -880.936 -47.995 133.494 1.00855.43 C ATOM 27715 O3* C B1346 -881.013 -46.834 132.677 1.00855.43 O ATOM 27716 C2* C B1346 -881.929 -49.060 133.043 1.00855.43 C ATOM 27717 O2* C B1346 -882.060 -49.103 131.634 1.00855.43 O ATOM 27718 C1* C B1346 -881.258 -50.345 133.529 1.00855.43 C ATOM 27719 N1 C B1346 -881.762 -50.784 134.841 1.00855.43 N ATOM 27720 C2 C B1346 -883.067 -51.278 134.943 1.00855.43 C ATOM 27721 O2 C B1346 -883.771 -51.335 133.924 1.00855.43 O ATOM 27722 N3 C B1346 -883.525 -51.682 136.152 1.00855.43 N ATOM 27723 C4 C B1346 -882.738 -51.598 137.227 1.00855.43 C ATOM 27724 N4 C B1346 -883.231 -51.999 138.399 1.00855.43 N ATOM 27725 C5 C B1346 -881.408 -51.095 137.147 1.00855.43 C ATOM 27726 C6 C B1346 -880.965 -50.705 135.947 1.00855.43 C ATOM 27727 P C B1347 -881.403 -45.421 133.338 1.00855.43 P ATOM 27728 O1P C B1347 -881.326 -44.394 132.265 1.00855.43 O ATOM 27729 O2P C B1347 -880.604 -45.248 134.576 1.00855.43 O ATOM 27730 O5* C B1347 -882.934 -45.583 133.753 1.00855.43 O ATOM 27731 C5* C B1347 -883.956 -45.658 132.762 1.00855.43 C ATOM 27732 C4* C B1347 -885.189 -46.324 133.324 1.00855.43 C ATOM 27733 O4* C B1347 -884.861 -47.669 133.764 1.00855.43 O ATOM 27734 C3* C B1347 -885.792 -45.658 134.549 1.00855.43 C ATOM 27735 O3* C B1347 -886.670 -44.589 134.231 1.00855.43 O ATOM 27736 C2* C B1347 -886.524 -46.810 135.226 1.00855.43 C ATOM 27737 O2* C B1347 -887.783 -47.075 134.641 1.00855.43 O ATOM 27738 C1* C B1347 -885.569 -47.970 134.956 1.00855.43 C ATOM 27739 N1 C B1347 -884.595 -48.051 136.054 1.00855.43 N ATOM 27740 C2 C B1347 -885.042 -48.404 137.330 1.00855.43 C ATOM 27741 O2 C B1347 -886.238 -48.687 137.495 1.00855.43 O ATOM 27742 N3 C B1347 -884.158 -48.418 138.357 1.00855.43 N ATOM 27743 C4 C B1347 -882.878 -48.110 138.136 1.00855.43 C ATOM 27744 N4 C B1347 -882.045 -48.117 139.175 1.00855.43 N ATOM 27745 C5 C B1347 -882.394 -47.775 136.841 1.00855.43 C ATOM 27746 C6 C B1347 -883.277 -47.762 135.835 1.00855.43 C ATOM 27747 P C B1348 -886.816 -43.366 135.264 1.00855.43 P ATOM 27748 O1P C B1348 -887.614 -42.302 134.605 1.00855.43 O ATOM 27749 O2P C B1348 -885.466 -43.049 135.794 1.00855.43 O ATOM 27750 O5* C B1348 -887.677 -43.980 136.452 1.00855.43 O ATOM 27751 C5* C B1348 -889.028 -43.573 136.659 1.00855.43 C ATOM 27752 C4* C B1348 -889.386 -43.662 138.127 1.00855.43 C ATOM 27753 O4* C B1348 -888.977 -44.946 138.666 1.00855.43 O ATOM 27754 C3* C B1348 -888.737 -42.646 139.047 1.00855.43 C ATOM 27755 O3* C B1348 -889.393 -41.393 139.023 1.00855.43 O ATOM 27756 C2* C B1348 -888.817 -43.329 140.403 1.00855.43 C ATOM 27757 O2* C B1348 -890.083 -43.185 141.011 1.00855.43 O ATOM 27758 C1* C B1348 -888.570 -44.788 140.020 1.00855.43 C ATOM 27759 N1 C B1348 -887.138 -45.117 140.108 1.00855.43 N ATOM 27760 C2 C B1348 -886.559 -45.309 141.372 1.00855.43 C ATOM 27761 O2 C B1348 -887.269 -45.216 142.384 1.00855.43 O ATOM 27762 N3 C B1348 -885.238 -45.587 141.457 1.00855.43 N ATOM 27763 C4 C B1348 -884.503 -45.679 140.343 1.00855.43 C ATOM 27764 N4 C B1348 -883.201 -45.949 140.476 1.00855.43 N ATOM 27765 C5 C B1348 -885.069 -45.500 139.050 1.00855.43 C ATOM 27766 C6 C B1348 -886.377 -45.224 138.978 1.00855.43 C ATOM 27767 P A B1349 -888.624 -40.110 139.591 1.00855.43 P ATOM 27768 O1P A B1349 -889.156 -38.881 138.954 1.00855.43 O ATOM 27769 O2P A B1349 -887.176 -40.422 139.499 1.00855.43 O ATOM 27770 O5* A B1349 -889.018 -40.067 141.132 1.00855.43 O ATOM 27771 C5* A B1349 -889.939 -39.102 141.618 1.00855.43 C ATOM 27772 C4* A B1349 -890.022 -39.198 143.121 1.00855.43 C ATOM 27773 O4* A B1349 -890.096 -40.597 143.498 1.00855.43 O ATOM 27774 C3* A B1349 -888.831 -38.647 143.906 1.00855.43 C ATOM 27775 O3* A B1349 -888.876 -37.239 144.102 1.00855.43 O ATOM 27776 C2* A B1349 -888.905 -39.442 145.201 1.00855.43 C ATOM 27777 O2* A B1349 -889.857 -38.917 146.107 1.00855.43 O ATOM 27778 C1* A B1349 -889.374 -40.808 144.696 1.00855.43 C ATOM 27779 N9 A B1349 -888.252 -41.699 144.396 1.00855.43 N ATOM 27780 C8 A B1349 -887.582 -41.838 143.205 1.00855.43 C ATOM 27781 N7 A B1349 -886.609 -42.715 143.246 1.00855.43 N ATOM 27782 C5 A B1349 -886.637 -43.187 144.550 1.00855.43 C ATOM 27783 C6 A B1349 -885.857 -44.133 145.233 1.00855.43 C ATOM 27784 N6 A B1349 -884.851 -44.807 144.670 1.00855.43 N ATOM 27785 N1 A B1349 -886.142 -44.366 146.532 1.00855.43 N ATOM 27786 C2 A B1349 -887.152 -43.690 147.095 1.00855.43 C ATOM 27787 N3 A B1349 -887.961 -42.779 146.559 1.00855.43 N ATOM 27788 C4 A B1349 -887.648 -42.569 145.269 1.00855.43 C ATOM 27789 P G B1350 -887.526 -36.454 144.489 1.00855.43 P ATOM 27790 O1P G B1350 -887.869 -35.021 144.671 1.00855.43 O ATOM 27791 O2P G B1350 -886.470 -36.837 143.522 1.00855.43 O ATOM 27792 O5* G B1350 -887.116 -37.064 145.900 1.00855.43 O ATOM 27793 C5* G B1350 -887.874 -36.774 147.065 1.00855.43 C ATOM 27794 C4* G B1350 -887.410 -37.643 148.207 1.00855.43 C ATOM 27795 O4* G B1350 -887.473 -39.039 147.823 1.00855.43 O ATOM 27796 C3* G B1350 -885.984 -37.443 148.694 1.00855.43 C ATOM 27797 O3* G B1350 -885.889 -36.341 149.589 1.00855.43 O ATOM 27798 C2* G B1350 -885.671 -38.779 149.359 1.00855.43 C ATOM 27799 O2* G B1350 -886.170 -38.861 150.679 1.00855.43 O ATOM 27800 C1* G B1350 -886.432 -39.758 148.461 1.00855.43 C ATOM 27801 N9 G B1350 -885.580 -40.342 147.429 1.00855.43 N ATOM 27802 C8 G B1350 -885.598 -40.068 146.083 1.00855.43 C ATOM 27803 N7 G B1350 -884.696 -40.736 145.414 1.00855.43 N ATOM 27804 C5 G B1350 -884.049 -41.497 146.375 1.00855.43 C ATOM 27805 C6 G B1350 -882.978 -42.422 146.252 1.00855.43 C ATOM 27806 O6 G B1350 -882.364 -42.766 145.235 1.00855.43 O ATOM 27807 N1 G B1350 -882.632 -42.972 147.484 1.00855.43 N ATOM 27808 C2 G B1350 -883.236 -42.670 148.679 1.00855.43 C ATOM 27809 N2 G B1350 -882.760 -43.303 149.761 1.00855.43 N ATOM 27810 N3 G B1350 -884.232 -41.813 148.807 1.00855.43 N ATOM 27811 C4 G B1350 -884.587 -41.268 147.627 1.00855.43 C ATOM 27812 P G B1351 -884.477 -35.601 149.784 1.00855.43 P ATOM 27813 O1P G B1351 -884.685 -34.483 150.740 1.00855.43 O ATOM 27814 O2P G B1351 -883.906 -35.320 148.443 1.00855.43 O ATOM 27815 O5* G B1351 -883.565 -36.696 150.492 1.00855.43 O ATOM 27816 C5* G B1351 -883.865 -37.143 151.814 1.00855.43 C ATOM 27817 C4* G B1351 -882.919 -38.249 152.215 1.00855.43 C ATOM 27818 O4* G B1351 -883.067 -39.369 151.309 1.00855.43 O ATOM 27819 C3* G B1351 -881.430 -37.931 152.198 1.00855.43 C ATOM 27820 O3* G B1351 -881.018 -37.275 153.390 1.00855.43 O ATOM 27821 C2* G B1351 -880.804 -39.312 152.050 1.00855.43 C ATOM 27822 O2* G B1351 -880.697 -39.990 153.285 1.00855.43 O ATOM 27823 C1* G B1351 -881.823 -40.028 151.165 1.00855.43 C ATOM 27824 N9 G B1351 -881.467 -40.011 149.750 1.00855.43 N ATOM 27825 C8 G B1351 -882.150 -39.398 148.728 1.00855.43 C ATOM 27826 N7 G B1351 -881.586 -39.559 147.562 1.00855.43 N ATOM 27827 C5 G B1351 -880.462 -40.325 147.832 1.00855.43 C ATOM 27828 C6 G B1351 -879.456 -40.819 146.962 1.00855.43 C ATOM 27829 O6 G B1351 -879.355 -40.670 145.742 1.00855.43 O ATOM 27830 N1 G B1351 -878.496 -41.549 147.655 1.00855.43 N ATOM 27831 C2 G B1351 -878.501 -41.778 149.011 1.00855.43 C ATOM 27832 N2 G B1351 -877.484 -42.505 149.495 1.00855.43 N ATOM 27833 N3 G B1351 -879.433 -41.327 149.829 1.00855.43 N ATOM 27834 C4 G B1351 -880.372 -40.614 149.178 1.00855.43 C ATOM 27835 P G B1352 -879.699 -36.356 153.384 1.00855.43 P ATOM 27836 O1P G B1352 -879.500 -35.864 154.770 1.00855.43 O ATOM 27837 O2P G B1352 -879.809 -35.384 152.267 1.00855.43 O ATOM 27838 O5* G B1352 -878.527 -37.381 153.048 1.00855.43 O ATOM 27839 C5* G B1352 -877.750 -37.967 154.086 1.00855.43 C ATOM 27840 C4* G B1352 -876.457 -38.499 153.521 1.00855.43 C ATOM 27841 O4* G B1352 -876.743 -39.454 152.468 1.00855.43 O ATOM 27842 C3* G B1352 -875.586 -37.425 152.873 1.00855.43 C ATOM 27843 O3* G B1352 -874.741 -36.759 153.802 1.00855.43 O ATOM 27844 C2* G B1352 -874.817 -38.209 151.816 1.00855.43 C ATOM 27845 O2* G B1352 -873.679 -38.860 152.339 1.00855.43 O ATOM 27846 C1* G B1352 -875.853 -39.249 151.383 1.00855.43 C ATOM 27847 N9 G B1352 -876.643 -38.846 150.225 1.00855.43 N ATOM 27848 C8 G B1352 -877.967 -38.478 150.215 1.00855.43 C ATOM 27849 N7 G B1352 -878.407 -38.186 149.021 1.00855.43 N ATOM 27850 C5 G B1352 -877.310 -38.368 148.193 1.00855.43 C ATOM 27851 C6 G B1352 -877.178 -38.208 146.789 1.00855.43 C ATOM 27852 O6 G B1352 -878.039 -37.865 145.969 1.00855.43 O ATOM 27853 N1 G B1352 -875.888 -38.498 146.362 1.00855.43 N ATOM 27854 C2 G B1352 -874.854 -38.889 147.176 1.00855.43 C ATOM 27855 N2 G B1352 -873.680 -39.121 146.572 1.00855.43 N ATOM 27856 N3 G B1352 -874.962 -39.046 148.486 1.00855.43 N ATOM 27857 C4 G B1352 -876.208 -38.769 148.923 1.00855.43 C ATOM 27858 P A B1353 -874.223 -35.274 153.479 1.00855.43 P ATOM 27859 O1P A B1353 -873.892 -34.627 154.776 1.00855.43 O ATOM 27860 O2P A B1353 -875.203 -34.631 152.569 1.00855.43 O ATOM 27861 O5* A B1353 -872.864 -35.508 152.679 1.00855.43 O ATOM 27862 C5* A B1353 -871.774 -36.197 153.279 1.00855.43 C ATOM 27863 C4* A B1353 -870.480 -35.871 152.563 1.00855.43 C ATOM 27864 O4* A B1353 -870.460 -36.513 151.264 1.00855.43 O ATOM 27865 C3* A B1353 -870.211 -34.404 152.280 1.00855.43 C ATOM 27866 O3* A B1353 -869.609 -33.757 153.394 1.00855.43 O ATOM 27867 C2* A B1353 -869.261 -34.460 151.093 1.00855.43 C ATOM 27868 O2* A B1353 -867.929 -34.662 151.506 1.00855.43 O ATOM 27869 C1* A B1353 -869.761 -35.694 150.342 1.00855.43 C ATOM 27870 N9 A B1353 -870.657 -35.343 149.243 1.00855.43 N ATOM 27871 C8 A B1353 -871.854 -35.917 148.887 1.00855.43 C ATOM 27872 N7 A B1353 -872.427 -35.345 147.856 1.00855.43 N ATOM 27873 C5 A B1353 -871.548 -34.326 147.509 1.00855.43 C ATOM 27874 C6 A B1353 -871.581 -33.350 146.496 1.00855.43 C ATOM 27875 N6 A B1353 -872.576 -33.227 145.615 1.00855.43 N ATOM 27876 N1 A B1353 -870.543 -32.489 146.422 1.00855.43 N ATOM 27877 C2 A B1353 -869.550 -32.606 147.312 1.00855.43 C ATOM 27878 N3 A B1353 -869.408 -33.476 148.307 1.00855.43 N ATOM 27879 C4 A B1353 -870.454 -34.320 148.354 1.00855.43 C ATOM 27880 P A B1354 -870.530 -33.262 154.612 1.00855.43 P ATOM 27881 O1P A B1354 -870.313 -34.212 155.722 1.00855.43 O ATOM 27882 O2P A B1354 -871.909 -33.012 154.111 1.00855.43 O ATOM 27883 O5* A B1354 -869.898 -31.886 155.089 1.00855.43 O ATOM 27884 C5* A B1354 -870.428 -30.652 154.624 1.00855.43 C ATOM 27885 C4* A B1354 -870.932 -29.823 155.783 1.00855.43 C ATOM 27886 O4* A B1354 -871.999 -30.525 156.477 1.00855.43 O ATOM 27887 C3* A B1354 -869.917 -29.470 156.850 1.00855.43 C ATOM 27888 O3* A B1354 -869.033 -28.390 156.530 1.00855.43 O ATOM 27889 C2* A B1354 -870.756 -29.294 158.117 1.00855.43 C ATOM 27890 O2* A B1354 -871.248 -27.987 158.336 1.00855.43 O ATOM 27891 C1* A B1354 -871.923 -30.254 157.868 1.00855.43 C ATOM 27892 N9 A B1354 -871.849 -31.528 158.592 1.00855.43 N ATOM 27893 C8 A B1354 -871.478 -32.758 158.113 1.00855.43 C ATOM 27894 N7 A B1354 -871.549 -33.717 159.006 1.00855.43 N ATOM 27895 C5 A B1354 -871.990 -33.074 160.153 1.00855.43 C ATOM 27896 C6 A B1354 -872.268 -33.536 161.452 1.00855.43 C ATOM 27897 N6 A B1354 -872.157 -34.814 161.822 1.00855.43 N ATOM 27898 N1 A B1354 -872.676 -32.630 162.368 1.00855.43 N ATOM 27899 C2 A B1354 -872.796 -31.353 161.992 1.00855.43 C ATOM 27900 N3 A B1354 -872.571 -30.796 160.803 1.00855.43 N ATOM 27901 C4 A B1354 -872.167 -31.721 159.916 1.00855.43 C ATOM 27902 P A B1355 -869.605 -27.045 155.849 1.00855.43 P ATOM 27903 O1P A B1355 -871.054 -26.920 156.120 1.00855.43 O ATOM 27904 O2P A B1355 -869.123 -27.029 154.444 1.00855.43 O ATOM 27905 O5* A B1355 -868.852 -25.869 156.619 1.00855.43 O ATOM 27906 C5* A B1355 -869.028 -25.665 158.023 1.00855.43 C ATOM 27907 C4* A B1355 -867.701 -25.326 158.661 1.00855.43 C ATOM 27908 O4* A B1355 -866.804 -26.441 158.484 1.00855.43 O ATOM 27909 C3* A B1355 -866.993 -24.092 158.065 1.00855.43 C ATOM 27910 O3* A B1355 -867.320 -22.891 158.767 1.00855.43 O ATOM 27911 C2* A B1355 -865.515 -24.430 158.265 1.00855.43 C ATOM 27912 O2* A B1355 -865.029 -24.016 159.525 1.00855.43 O ATOM 27913 C1* A B1355 -865.509 -25.959 158.203 1.00855.43 C ATOM 27914 N9 A B1355 -865.021 -26.610 156.987 1.00855.43 N ATOM 27915 C8 A B1355 -865.255 -26.254 155.680 1.00855.43 C ATOM 27916 N7 A B1355 -864.733 -27.080 154.807 1.00855.43 N ATOM 27917 C5 A B1355 -864.103 -28.036 155.591 1.00855.43 C ATOM 27918 C6 A B1355 -863.370 -29.195 155.270 1.00855.43 C ATOM 27919 N6 A B1355 -863.151 -29.608 154.020 1.00855.43 N ATOM 27920 N1 A B1355 -862.873 -29.929 156.286 1.00855.43 N ATOM 27921 C2 A B1355 -863.103 -29.519 157.541 1.00855.43 C ATOM 27922 N3 A B1355 -863.780 -28.456 157.970 1.00855.43 N ATOM 27923 C4 A B1355 -864.259 -27.750 156.934 1.00855.43 C ATOM 27924 P G B1356 -866.903 -21.458 158.167 1.00855.43 P ATOM 27925 O1P G B1356 -867.638 -20.426 158.939 1.00855.43 O ATOM 27926 O2P G B1356 -867.034 -21.504 156.690 1.00855.43 O ATOM 27927 O5* G B1356 -865.353 -21.323 158.529 1.00855.43 O ATOM 27928 C5* G B1356 -864.948 -20.981 159.854 1.00855.43 C ATOM 27929 C4* G B1356 -863.478 -20.636 159.893 1.00855.43 C ATOM 27930 O4* G B1356 -863.102 -20.085 161.178 1.00855.43 O ATOM 27931 C3* G B1356 -862.571 -21.824 159.750 1.00855.43 C ATOM 27932 O3* G B1356 -862.465 -22.069 158.355 1.00855.43 O ATOM 27933 C2* G B1356 -861.259 -21.364 160.375 1.00855.43 C ATOM 27934 O2* G B1356 -860.428 -20.690 159.450 1.00855.43 O ATOM 27935 C1* G B1356 -861.741 -20.378 161.440 1.00855.43 C ATOM 27936 N9 G B1356 -861.657 -20.904 162.801 1.00855.43 N ATOM 27937 C8 G B1356 -862.715 -21.187 163.631 1.00855.43 C ATOM 27938 N7 G B1356 -862.342 -21.654 164.792 1.00855.43 N ATOM 27939 C5 G B1356 -860.958 -21.678 164.723 1.00855.43 C ATOM 27940 C6 G B1356 -860.002 -22.092 165.686 1.00855.43 C ATOM 27941 O6 G B1356 -860.199 -22.531 166.827 1.00855.43 O ATOM 27942 N1 G B1356 -858.704 -21.954 165.210 1.00855.43 N ATOM 27943 C2 G B1356 -858.365 -21.477 163.966 1.00855.43 C ATOM 27944 N2 G B1356 -857.052 -21.421 163.696 1.00855.43 N ATOM 27945 N3 G B1356 -859.246 -21.091 163.057 1.00855.43 N ATOM 27946 C4 G B1356 -860.516 -21.216 163.502 1.00855.43 C ATOM 27947 P U B1357 -861.864 -23.467 157.845 1.00855.43 P ATOM 27948 O1P U B1357 -862.698 -23.923 156.705 1.00855.43 O ATOM 27949 O2P U B1357 -861.685 -24.355 159.025 1.00855.43 O ATOM 27950 O5* U B1357 -860.424 -23.076 157.291 1.00855.43 O ATOM 27951 C5* U B1357 -859.435 -24.071 157.039 1.00855.43 C ATOM 27952 C4* U B1357 -858.082 -23.582 157.501 1.00855.43 C ATOM 27953 O4* U B1357 -858.212 -22.981 158.818 1.00855.43 O ATOM 27954 C3* U B1357 -857.018 -24.667 157.658 1.00855.43 C ATOM 27955 O3* U B1357 -856.312 -24.921 156.449 1.00855.43 O ATOM 27956 C2* U B1357 -856.108 -24.096 158.738 1.00855.43 C ATOM 27957 O2* U B1357 -855.160 -23.184 158.223 1.00855.43 O ATOM 27958 C1* U B1357 -857.109 -23.358 159.626 1.00855.43 C ATOM 27959 N1 U B1357 -857.602 -24.203 160.724 1.00855.43 N ATOM 27960 C2 U B1357 -856.665 -24.729 161.598 1.00855.43 C ATOM 27961 O2 U B1357 -855.470 -24.507 161.501 1.00855.43 O ATOM 27962 N3 U B1357 -857.180 -25.529 162.590 1.00855.43 N ATOM 27963 C4 U B1357 -858.505 -25.850 162.794 1.00855.43 C ATOM 27964 O4 U B1357 -858.811 -26.597 163.725 1.00855.43 O ATOM 27965 C5 U B1357 -859.413 -25.259 161.856 1.00855.43 C ATOM 27966 C6 U B1357 -858.941 -24.479 160.878 1.00855.43 C ATOM 27967 P C B1358 -855.022 -25.875 156.490 1.00855.43 P ATOM 27968 O1P C B1358 -855.136 -26.722 157.703 1.00855.43 O ATOM 27969 O2P C B1358 -853.818 -25.021 156.309 1.00855.43 O ATOM 27970 O5* C B1358 -855.153 -26.812 155.209 1.00855.43 O ATOM 27971 C5* C B1358 -854.208 -27.859 154.993 1.00855.43 C ATOM 27972 C4* C B1358 -854.817 -28.961 154.161 1.00855.43 C ATOM 27973 O4* C B1358 -856.057 -29.404 154.775 1.00855.43 O ATOM 27974 C3* C B1358 -855.210 -28.603 152.730 1.00855.43 C ATOM 27975 O3* C B1358 -854.127 -28.655 151.801 1.00855.43 O ATOM 27976 C2* C B1358 -856.281 -29.642 152.417 1.00855.43 C ATOM 27977 O2* C B1358 -855.733 -30.885 152.024 1.00855.43 O ATOM 27978 C1* C B1358 -856.974 -29.805 153.771 1.00855.43 C ATOM 27979 N1 C B1358 -858.193 -28.991 153.895 1.00855.43 N ATOM 27980 C2 C B1358 -859.412 -29.530 153.469 1.00855.43 C ATOM 27981 O2 C B1358 -859.433 -30.678 152.988 1.00855.43 O ATOM 27982 N3 C B1358 -860.540 -28.790 153.581 1.00855.43 N ATOM 27983 C4 C B1358 -860.481 -27.561 154.097 1.00855.43 C ATOM 27984 N4 C B1358 -861.617 -26.867 154.191 1.00855.43 N ATOM 27985 C5 C B1358 -859.251 -26.986 154.534 1.00855.43 C ATOM 27986 C6 C B1358 -858.146 -27.730 154.419 1.00855.43 C ATOM 27987 P G B1359 -853.668 -27.323 151.030 1.00855.43 P ATOM 27988 O1P G B1359 -852.299 -27.558 150.509 1.00855.43 O ATOM 27989 O2P G B1359 -853.926 -26.159 151.922 1.00855.43 O ATOM 27990 O5* G B1359 -854.658 -27.230 149.782 1.00855.43 O ATOM 27991 C5* G B1359 -856.065 -27.331 149.969 1.00855.43 C ATOM 27992 C4* G B1359 -856.806 -26.862 148.742 1.00855.43 C ATOM 27993 O4* G B1359 -858.171 -27.352 148.825 1.00855.43 O ATOM 27994 C3* G B1359 -856.946 -25.369 148.592 1.00855.43 C ATOM 27995 O3* G B1359 -855.801 -24.807 147.959 1.00855.43 O ATOM 27996 C2* G B1359 -858.222 -25.235 147.772 1.00855.43 C ATOM 27997 O2* G B1359 -858.011 -25.470 146.395 1.00855.43 O ATOM 27998 C1* G B1359 -859.070 -26.357 148.373 1.00855.43 C ATOM 27999 N9 G B1359 -859.798 -25.881 149.544 1.00855.43 N ATOM 28000 C8 G B1359 -859.503 -26.166 150.856 1.00855.43 C ATOM 28001 N7 G B1359 -860.300 -25.576 151.701 1.00855.43 N ATOM 28002 C5 G B1359 -861.179 -24.859 150.901 1.00855.43 C ATOM 28003 C6 G B1359 -862.262 -24.016 151.258 1.00855.43 C ATOM 28004 O6 G B1359 -862.670 -23.723 152.390 1.00855.43 O ATOM 28005 N1 G B1359 -862.892 -23.493 150.135 1.00855.43 N ATOM 28006 C2 G B1359 -862.527 -23.742 148.837 1.00855.43 C ATOM 28007 N2 G B1359 -863.265 -23.138 147.892 1.00855.43 N ATOM 28008 N3 G B1359 -861.515 -24.524 148.489 1.00855.43 N ATOM 28009 C4 G B1359 -860.889 -25.044 149.565 1.00855.43 C ATOM 28010 P G B1360 -855.549 -23.222 148.037 1.00855.43 P ATOM 28011 O1P G B1360 -854.136 -22.972 147.667 1.00855.43 O ATOM 28012 O2P G B1360 -856.064 -22.735 149.343 1.00855.43 O ATOM 28013 O5* G B1360 -856.478 -22.630 146.885 1.00855.43 O ATOM 28014 C5* G B1360 -856.419 -23.156 145.561 1.00855.43 C ATOM 28015 C4* G B1360 -857.221 -22.293 144.616 1.00855.43 C ATOM 28016 O4* G B1360 -858.611 -22.268 145.037 1.00855.43 O ATOM 28017 C3* G B1360 -856.858 -20.815 144.520 1.00855.43 C ATOM 28018 O3* G B1360 -855.725 -20.545 143.706 1.00855.43 O ATOM 28019 C2* G B1360 -858.133 -20.202 143.962 1.00855.43 C ATOM 28020 O2* G B1360 -858.242 -20.354 142.560 1.00855.43 O ATOM 28021 C1* G B1360 -859.204 -21.038 144.664 1.00855.43 C ATOM 28022 N9 G B1360 -859.657 -20.364 145.877 1.00855.43 N ATOM 28023 C8 G B1360 -858.993 -20.281 147.074 1.00855.43 C ATOM 28024 N7 G B1360 -859.633 -19.576 147.967 1.00855.43 N ATOM 28025 C5 G B1360 -860.797 -19.182 147.322 1.00855.43 C ATOM 28026 C6 G B1360 -861.881 -18.389 147.782 1.00855.43 C ATOM 28027 O6 G B1360 -862.038 -17.863 148.891 1.00855.43 O ATOM 28028 N1 G B1360 -862.853 -18.233 146.800 1.00855.43 N ATOM 28029 C2 G B1360 -862.792 -18.768 145.536 1.00855.43 C ATOM 28030 N2 G B1360 -863.830 -18.504 144.732 1.00855.43 N ATOM 28031 N3 G B1360 -861.785 -19.502 145.093 1.00855.43 N ATOM 28032 C4 G B1360 -860.829 -19.667 146.032 1.00855.43 C ATOM 28033 P G B1361 -854.632 -19.480 144.208 1.00855.43 P ATOM 28034 O1P G B1361 -853.526 -19.470 143.220 1.00855.43 O ATOM 28035 O2P G B1361 -854.339 -19.760 145.638 1.00855.43 O ATOM 28036 O5* G B1361 -855.393 -18.082 144.121 1.00855.43 O ATOM 28037 C5* G B1361 -856.059 -17.691 142.927 1.00855.43 C ATOM 28038 C4* G B1361 -856.893 -16.453 143.165 1.00855.43 C ATOM 28039 O4* G B1361 -857.910 -16.724 144.167 1.00855.43 O ATOM 28040 C3* G B1361 -856.114 -15.279 143.713 1.00855.43 C ATOM 28041 O3* G B1361 -855.533 -14.546 142.641 1.00855.43 O ATOM 28042 C2* G B1361 -857.176 -14.473 144.447 1.00855.43 C ATOM 28043 O2* G B1361 -857.906 -13.620 143.587 1.00855.43 O ATOM 28044 C1* G B1361 -858.094 -15.574 144.979 1.00855.43 C ATOM 28045 N9 G B1361 -857.762 -15.925 146.358 1.00855.43 N ATOM 28046 C8 G B1361 -856.638 -16.572 146.810 1.00855.43 C ATOM 28047 N7 G B1361 -856.620 -16.719 148.106 1.00855.43 N ATOM 28048 C5 G B1361 -857.802 -16.134 148.536 1.00855.43 C ATOM 28049 C6 G B1361 -858.333 -15.982 149.845 1.00855.43 C ATOM 28050 O6 G B1361 -857.850 -16.342 150.920 1.00855.43 O ATOM 28051 N1 G B1361 -859.563 -15.329 149.822 1.00855.43 N ATOM 28052 C2 G B1361 -860.199 -14.880 148.692 1.00855.43 C ATOM 28053 N2 G B1361 -861.380 -14.274 148.878 1.00855.43 N ATOM 28054 N3 G B1361 -859.713 -15.011 147.470 1.00855.43 N ATOM 28055 C4 G B1361 -858.521 -15.646 147.466 1.00855.43 C ATOM 28056 P A B1362 -854.060 -13.930 142.811 1.00855.43 P ATOM 28057 O1P A B1362 -853.667 -13.325 141.513 1.00855.43 O ATOM 28058 O2P A B1362 -853.195 -14.968 143.428 1.00855.43 O ATOM 28059 O5* A B1362 -854.250 -12.758 143.872 1.00855.43 O ATOM 28060 C5* A B1362 -855.172 -11.697 143.644 1.00855.43 C ATOM 28061 C4* A B1362 -855.358 -10.893 144.906 1.00855.43 C ATOM 28062 O4* A B1362 -856.105 -11.686 145.866 1.00855.43 O ATOM 28063 C3* A B1362 -854.062 -10.587 145.624 1.00855.43 C ATOM 28064 O3* A B1362 -853.414 -9.439 145.092 1.00855.43 O ATOM 28065 C2* A B1362 -854.509 -10.395 147.069 1.00855.43 C ATOM 28066 O2* A B1362 -855.024 -9.104 147.315 1.00855.43 O ATOM 28067 C1* A B1362 -855.626 -11.436 147.177 1.00855.43 C ATOM 28068 N9 A B1362 -855.112 -12.703 147.699 1.00855.43 N ATOM 28069 C8 A B1362 -854.695 -13.783 146.967 1.00855.43 C ATOM 28070 N7 A B1362 -854.251 -14.778 147.693 1.00855.43 N ATOM 28071 C5 A B1362 -854.391 -14.326 148.994 1.00855.43 C ATOM 28072 C6 A B1362 -854.097 -14.916 150.234 1.00855.43 C ATOM 28073 N6 A B1362 -853.573 -16.137 150.368 1.00855.43 N ATOM 28074 N1 A B1362 -854.358 -14.197 151.349 1.00855.43 N ATOM 28075 C2 A B1362 -854.876 -12.973 151.214 1.00855.43 C ATOM 28076 N3 A B1362 -855.195 -12.310 150.105 1.00855.43 N ATOM 28077 C4 A B1362 -854.926 -13.050 149.017 1.00855.43 C ATOM 28078 P C B1363 -851.956 -9.592 144.434 1.00855.43 P ATOM 28079 O1P C B1363 -851.864 -8.615 143.317 1.00855.43 O ATOM 28080 O2P C B1363 -851.707 -11.030 144.169 1.00855.43 O ATOM 28081 O5* C B1363 -850.956 -9.121 145.582 1.00855.43 O ATOM 28082 C5* C B1363 -851.163 -9.513 146.933 1.00855.43 C ATOM 28083 C4* C B1363 -849.835 -9.717 147.624 1.00855.43 C ATOM 28084 O4* C B1363 -850.024 -10.527 148.815 1.00855.43 O ATOM 28085 C3* C B1363 -848.807 -10.466 146.791 1.00855.43 C ATOM 28086 O3* C B1363 -848.084 -9.558 145.977 1.00855.43 O ATOM 28087 C2* C B1363 -847.940 -11.142 147.847 1.00855.43 C ATOM 28088 O2* C B1363 -846.954 -10.277 148.376 1.00855.43 O ATOM 28089 C1* C B1363 -848.972 -11.471 148.927 1.00855.43 C ATOM 28090 N1 C B1363 -849.547 -12.813 148.739 1.00855.43 N ATOM 28091 C2 C B1363 -848.976 -13.901 149.411 1.00855.43 C ATOM 28092 O2 C B1363 -848.009 -13.707 150.160 1.00855.43 O ATOM 28093 N3 C B1363 -849.496 -15.138 149.223 1.00855.43 N ATOM 28094 C4 C B1363 -850.541 -15.306 148.407 1.00855.43 C ATOM 28095 N4 C B1363 -851.012 -16.542 148.244 1.00855.43 N ATOM 28096 C5 C B1363 -851.147 -14.212 147.721 1.00855.43 C ATOM 28097 C6 C B1363 -850.624 -12.997 147.918 1.00855.43 C ATOM 28098 P C B1364 -847.912 -9.861 144.408 1.00855.43 P ATOM 28099 O1P C B1364 -847.609 -8.577 143.726 1.00855.43 O ATOM 28100 O2P C B1364 -849.077 -10.670 143.965 1.00855.43 O ATOM 28101 O5* C B1364 -846.618 -10.784 144.343 1.00855.43 O ATOM 28102 C5* C B1364 -845.320 -10.210 144.280 1.00855.43 C ATOM 28103 C4* C B1364 -844.298 -11.270 143.955 1.00855.43 C ATOM 28104 O4* C B1364 -844.467 -12.400 144.853 1.00855.43 O ATOM 28105 C3* C B1364 -844.399 -11.859 142.559 1.00855.43 C ATOM 28106 O3* C B1364 -843.685 -11.059 141.624 1.00855.43 O ATOM 28107 C2* C B1364 -843.792 -13.244 142.729 1.00855.43 C ATOM 28108 O2* C B1364 -842.381 -13.245 142.675 1.00855.43 O ATOM 28109 C1* C B1364 -844.237 -13.608 144.147 1.00855.43 C ATOM 28110 N1 C B1364 -845.483 -14.389 144.131 1.00855.43 N ATOM 28111 C2 C B1364 -845.398 -15.791 144.166 1.00855.43 C ATOM 28112 O2 C B1364 -844.275 -16.325 144.242 1.00855.43 O ATOM 28113 N3 C B1364 -846.534 -16.524 144.122 1.00855.43 N ATOM 28114 C4 C B1364 -847.722 -15.906 144.049 1.00855.43 C ATOM 28115 N4 C B1364 -848.820 -16.663 144.001 1.00855.43 N ATOM 28116 C5 C B1364 -847.833 -14.480 144.024 1.00855.43 C ATOM 28117 C6 C B1364 -846.700 -13.771 144.066 1.00855.43 C ATOM 28118 P U B1365 -844.095 -11.111 140.072 1.00855.43 P ATOM 28119 O1P U B1365 -843.240 -10.134 139.351 1.00855.43 O ATOM 28120 O2P U B1365 -845.573 -10.999 139.981 1.00855.43 O ATOM 28121 O5* U B1365 -843.677 -12.580 139.615 1.00855.43 O ATOM 28122 C5* U B1365 -842.311 -12.981 139.621 1.00855.43 C ATOM 28123 C4* U B1365 -842.175 -14.399 139.120 1.00855.43 C ATOM 28124 O4* U B1365 -842.952 -15.299 139.951 1.00855.43 O ATOM 28125 C3* U B1365 -842.651 -14.692 137.701 1.00855.43 C ATOM 28126 O3* U B1365 -841.691 -14.334 136.712 1.00855.43 O ATOM 28127 C2* U B1365 -842.906 -16.199 137.739 1.00855.43 C ATOM 28128 O2* U B1365 -841.731 -16.950 137.511 1.00855.43 O ATOM 28129 C1* U B1365 -843.368 -16.415 139.182 1.00855.43 C ATOM 28130 N1 U B1365 -844.821 -16.588 139.349 1.00855.43 N ATOM 28131 C2 U B1365 -845.363 -17.846 139.103 1.00855.43 C ATOM 28132 O2 U B1365 -844.695 -18.800 138.742 1.00855.43 O ATOM 28133 N3 U B1365 -846.720 -17.944 139.296 1.00855.43 N ATOM 28134 C4 U B1365 -847.573 -16.927 139.700 1.00855.43 C ATOM 28135 O4 U B1365 -848.769 -17.166 139.850 1.00855.43 O ATOM 28136 C5 U B1365 -846.936 -15.663 139.923 1.00855.43 C ATOM 28137 C6 U B1365 -845.617 -15.539 139.747 1.00855.43 C ATOM 28138 P A B1366 -842.045 -14.515 135.157 1.00855.43 P ATOM 28139 O1P A B1366 -841.406 -13.388 134.422 1.00855.43 O ATOM 28140 O2P A B1366 -843.507 -14.736 135.024 1.00855.43 O ATOM 28141 O5* A B1366 -841.291 -15.855 134.747 1.00855.43 O ATOM 28142 C5* A B1366 -839.883 -15.866 134.527 1.00855.43 C ATOM 28143 C4* A B1366 -839.476 -17.122 133.796 1.00855.43 C ATOM 28144 O4* A B1366 -839.609 -18.272 134.671 1.00855.43 O ATOM 28145 C3* A B1366 -840.252 -17.495 132.536 1.00855.43 C ATOM 28146 O3* A B1366 -839.790 -16.787 131.389 1.00855.43 O ATOM 28147 C2* A B1366 -840.014 -18.999 132.429 1.00855.43 C ATOM 28148 O2* A B1366 -838.797 -19.315 131.787 1.00855.43 O ATOM 28149 C1* A B1366 -839.933 -19.414 133.904 1.00855.43 C ATOM 28150 N9 A B1366 -841.162 -19.993 134.446 1.00855.43 N ATOM 28151 C8 A B1366 -841.675 -19.837 135.710 1.00855.43 C ATOM 28152 N7 A B1366 -842.787 -20.500 135.917 1.00855.43 N ATOM 28153 C5 A B1366 -843.027 -21.131 134.706 1.00855.43 C ATOM 28154 C6 A B1366 -844.052 -21.990 134.271 1.00855.43 C ATOM 28155 N6 A B1366 -845.069 -22.377 135.048 1.00855.43 N ATOM 28156 N1 A B1366 -843.998 -22.442 133.002 1.00855.43 N ATOM 28157 C2 A B1366 -842.979 -22.056 132.228 1.00855.43 C ATOM 28158 N3 A B1366 -841.954 -21.256 132.518 1.00855.43 N ATOM 28159 C4 A B1366 -842.037 -20.824 133.787 1.00855.43 C ATOM 28160 P A B1367 -840.760 -16.593 130.125 1.00855.43 P ATOM 28161 O1P A B1367 -839.955 -15.960 129.048 1.00855.43 O ATOM 28162 O2P A B1367 -842.010 -15.944 130.585 1.00855.43 O ATOM 28163 O5* A B1367 -841.102 -18.081 129.675 1.00855.43 O ATOM 28164 C5* A B1367 -840.145 -18.877 128.975 1.00855.43 C ATOM 28165 C4* A B1367 -840.852 -19.844 128.059 1.00855.43 C ATOM 28166 O4* A B1367 -841.695 -20.721 128.845 1.00855.43 O ATOM 28167 C3* A B1367 -841.803 -19.197 127.064 1.00855.43 C ATOM 28168 O3* A B1367 -841.124 -18.744 125.899 1.00855.43 O ATOM 28169 C2* A B1367 -842.795 -20.316 126.771 1.00855.43 C ATOM 28170 O2* A B1367 -842.323 -21.220 125.791 1.00855.43 O ATOM 28171 C1* A B1367 -842.878 -21.023 128.128 1.00855.43 C ATOM 28172 N9 A B1367 -844.016 -20.577 128.931 1.00855.43 N ATOM 28173 C8 A B1367 -844.387 -19.285 129.212 1.00855.43 C ATOM 28174 N7 A B1367 -845.460 -19.194 129.959 1.00855.43 N ATOM 28175 C5 A B1367 -845.821 -20.515 130.184 1.00855.43 C ATOM 28176 C6 A B1367 -846.882 -21.098 130.904 1.00855.43 C ATOM 28177 N6 A B1367 -847.810 -20.394 131.554 1.00855.43 N ATOM 28178 N1 A B1367 -846.953 -22.445 130.932 1.00855.43 N ATOM 28179 C2 A B1367 -846.020 -23.149 130.279 1.00855.43 C ATOM 28180 N3 A B1367 -844.982 -22.720 129.567 1.00855.43 N ATOM 28181 C4 A B1367 -844.940 -21.378 129.558 1.00855.43 C ATOM 28182 P G B1368 -841.262 -17.209 125.445 1.00855.43 P ATOM 28183 O1P G B1368 -840.391 -17.016 124.258 1.00855.43 O ATOM 28184 O2P G B1368 -841.074 -16.349 126.642 1.00855.43 O ATOM 28185 O5* G B1368 -842.779 -17.078 124.969 1.00855.43 O ATOM 28186 C5* G B1368 -843.408 -18.114 124.223 1.00855.43 C ATOM 28187 C4* G B1368 -844.879 -18.177 124.552 1.00855.43 C ATOM 28188 O4* G B1368 -845.034 -18.469 125.966 1.00855.43 O ATOM 28189 C3* G B1368 -845.606 -16.865 124.350 1.00855.43 C ATOM 28190 O3* G B1368 -846.049 -16.736 123.004 1.00855.43 O ATOM 28191 C2* G B1368 -846.765 -16.957 125.338 1.00855.43 C ATOM 28192 O2* G B1368 -847.864 -17.683 124.825 1.00855.43 O ATOM 28193 C1* G B1368 -846.126 -17.735 126.490 1.00855.43 C ATOM 28194 N9 G B1368 -845.609 -16.840 127.520 1.00855.43 N ATOM 28195 C8 G B1368 -844.351 -16.291 127.582 1.00855.43 C ATOM 28196 N7 G B1368 -844.185 -15.505 128.609 1.00855.43 N ATOM 28197 C5 G B1368 -845.404 -15.542 129.272 1.00855.43 C ATOM 28198 C6 G B1368 -845.827 -14.883 130.453 1.00855.43 C ATOM 28199 O6 G B1368 -845.188 -14.107 131.175 1.00855.43 O ATOM 28200 N1 G B1368 -847.143 -15.202 130.772 1.00855.43 N ATOM 28201 C2 G B1368 -847.949 -16.049 130.049 1.00855.43 C ATOM 28202 N2 G B1368 -849.190 -16.229 130.518 1.00855.43 N ATOM 28203 N3 G B1368 -847.569 -16.662 128.942 1.00855.43 N ATOM 28204 C4 G B1368 -846.291 -16.367 128.615 1.00855.43 C ATOM 28205 P G B1369 -846.391 -15.278 122.421 1.00855.43 P ATOM 28206 O1P G B1369 -846.585 -15.424 120.955 1.00855.43 O ATOM 28207 O2P G B1369 -845.376 -14.321 122.934 1.00855.43 O ATOM 28208 O5* G B1369 -847.800 -14.913 123.070 1.00855.43 O ATOM 28209 C5* G B1369 -848.959 -15.684 122.770 1.00855.43 C ATOM 28210 C4* G B1369 -850.139 -15.223 123.596 1.00855.43 C ATOM 28211 O4* G B1369 -849.934 -15.574 124.990 1.00855.43 O ATOM 28212 C3* G B1369 -850.380 -13.719 123.617 1.00855.43 C ATOM 28213 O3* G B1369 -851.126 -13.275 122.490 1.00855.43 O ATOM 28214 C2* G B1369 -851.152 -13.524 124.916 1.00855.43 C ATOM 28215 O2* G B1369 -852.536 -13.773 124.771 1.00855.43 O ATOM 28216 C1* G B1369 -850.534 -14.591 125.816 1.00855.43 C ATOM 28217 N9 G B1369 -849.519 -14.043 126.711 1.00855.43 N ATOM 28218 C8 G B1369 -848.154 -14.115 126.579 1.00855.43 C ATOM 28219 N7 G B1369 -847.514 -13.520 127.552 1.00855.43 N ATOM 28220 C5 G B1369 -848.518 -13.031 128.375 1.00855.43 C ATOM 28221 C6 G B1369 -848.440 -12.298 129.589 1.00855.43 C ATOM 28222 O6 G B1369 -847.431 -11.923 130.199 1.00855.43 O ATOM 28223 N1 G B1369 -849.703 -12.003 130.088 1.00855.43 N ATOM 28224 C2 G B1369 -850.889 -12.365 129.502 1.00855.43 C ATOM 28225 N2 G B1369 -852.007 -11.987 130.137 1.00855.43 N ATOM 28226 N3 G B1369 -850.975 -13.049 128.374 1.00855.43 N ATOM 28227 C4 G B1369 -849.760 -13.347 127.870 1.00855.43 C ATOM 28228 P U B1370 -850.908 -11.785 121.927 1.00855.43 P ATOM 28229 O1P U B1370 -851.687 -11.668 120.667 1.00855.43 O ATOM 28230 O2P U B1370 -849.451 -11.500 121.916 1.00855.43 O ATOM 28231 O5* U B1370 -851.592 -10.850 123.020 1.00855.43 O ATOM 28232 C5* U B1370 -852.938 -11.073 123.436 1.00855.43 C ATOM 28233 C4* U B1370 -853.216 -10.347 124.730 1.00855.43 C ATOM 28234 O4* U B1370 -852.437 -10.952 125.795 1.00855.43 O ATOM 28235 C3* U B1370 -852.775 -8.892 124.706 1.00855.43 C ATOM 28236 O3* U B1370 -853.775 -8.022 124.180 1.00855.43 O ATOM 28237 C2* U B1370 -852.497 -8.598 126.176 1.00855.43 C ATOM 28238 O2* U B1370 -853.667 -8.260 126.895 1.00855.43 O ATOM 28239 C1* U B1370 -851.965 -9.945 126.672 1.00855.43 C ATOM 28240 N1 U B1370 -850.496 -10.008 126.710 1.00855.43 N ATOM 28241 C2 U B1370 -849.874 -9.611 127.875 1.00855.43 C ATOM 28242 O2 U B1370 -850.490 -9.215 128.849 1.00855.43 O ATOM 28243 N3 U B1370 -848.504 -9.697 127.859 1.00855.43 N ATOM 28244 C4 U B1370 -847.713 -10.125 126.813 1.00855.43 C ATOM 28245 O4 U B1370 -846.489 -10.151 126.951 1.00855.43 O ATOM 28246 C5 U B1370 -848.433 -10.515 125.639 1.00855.43 C ATOM 28247 C6 U B1370 -849.771 -10.444 125.628 1.00855.43 C ATOM 28248 P G B1371 -853.337 -6.687 123.397 1.00855.43 P ATOM 28249 O1P G B1371 -854.558 -6.128 122.758 1.00855.43 O ATOM 28250 O2P G B1371 -852.151 -7.002 122.562 1.00855.43 O ATOM 28251 O5* G B1371 -852.887 -5.690 124.552 1.00855.43 O ATOM 28252 C5* G B1371 -853.799 -5.283 125.569 1.00855.43 C ATOM 28253 C4* G B1371 -853.089 -4.429 126.591 1.00855.43 C ATOM 28254 O4* G B1371 -852.288 -5.268 127.456 1.00855.43 O ATOM 28255 C3* G B1371 -852.111 -3.405 126.031 1.00855.43 C ATOM 28256 O3* G B1371 -852.765 -2.203 125.642 1.00855.43 O ATOM 28257 C2* G B1371 -851.150 -3.183 127.194 1.00855.43 C ATOM 28258 O2* G B1371 -851.630 -2.220 128.110 1.00855.43 O ATOM 28259 C1* G B1371 -851.128 -4.562 127.856 1.00855.43 C ATOM 28260 N9 G B1371 -849.958 -5.368 127.512 1.00855.43 N ATOM 28261 C8 G B1371 -849.904 -6.434 126.650 1.00855.43 C ATOM 28262 N7 G B1371 -848.711 -6.953 126.548 1.00855.43 N ATOM 28263 C5 G B1371 -847.929 -6.181 127.398 1.00855.43 C ATOM 28264 C6 G B1371 -846.544 -6.263 127.708 1.00855.43 C ATOM 28265 O6 G B1371 -845.703 -7.062 127.276 1.00855.43 O ATOM 28266 N1 G B1371 -846.168 -5.281 128.619 1.00855.43 N ATOM 28267 C2 G B1371 -847.010 -4.346 129.165 1.00855.43 C ATOM 28268 N2 G B1371 -846.461 -3.483 130.031 1.00855.43 N ATOM 28269 N3 G B1371 -848.297 -4.259 128.883 1.00855.43 N ATOM 28270 C4 G B1371 -848.687 -5.201 128.000 1.00855.43 C ATOM 28271 P A B1372 -852.870 -1.817 124.086 1.00855.43 P ATOM 28272 O1P A B1372 -853.843 -2.748 123.465 1.00855.43 O ATOM 28273 O2P A B1372 -851.495 -1.717 123.534 1.00855.43 O ATOM 28274 O5* A B1372 -853.511 -0.360 124.094 1.00855.43 O ATOM 28275 C5* A B1372 -854.923 -0.176 124.172 1.00855.43 C ATOM 28276 C4* A B1372 -855.238 1.137 124.844 1.00855.43 C ATOM 28277 O4* A B1372 -854.996 1.025 126.270 1.00855.43 O ATOM 28278 C3* A B1372 -854.321 2.263 124.375 1.00855.43 C ATOM 28279 O3* A B1372 -854.742 2.921 123.185 1.00855.43 O ATOM 28280 C2* A B1372 -854.294 3.196 125.579 1.00855.43 C ATOM 28281 O2* A B1372 -855.412 4.058 125.628 1.00855.43 O ATOM 28282 C1* A B1372 -854.353 2.199 126.742 1.00855.43 C ATOM 28283 N9 A B1372 -853.021 1.828 127.212 1.00855.43 N ATOM 28284 C8 A B1372 -852.502 0.562 127.317 1.00855.43 C ATOM 28285 N7 A B1372 -851.269 0.530 127.755 1.00855.43 N ATOM 28286 C5 A B1372 -850.953 1.864 127.958 1.00855.43 C ATOM 28287 C6 A B1372 -849.788 2.500 128.417 1.00855.43 C ATOM 28288 N6 A B1372 -848.677 1.847 128.763 1.00855.43 N ATOM 28289 N1 A B1372 -849.802 3.850 128.505 1.00855.43 N ATOM 28290 C2 A B1372 -850.916 4.502 128.156 1.00855.43 C ATOM 28291 N3 A B1372 -852.072 4.018 127.709 1.00855.43 N ATOM 28292 C4 A B1372 -852.025 2.678 127.632 1.00855.43 C ATOM 28293 P G B1373 -853.674 3.197 122.015 1.00855.43 P ATOM 28294 O1P G B1373 -854.324 4.105 121.034 1.00855.43 O ATOM 28295 O2P G B1373 -853.126 1.894 121.559 1.00855.43 O ATOM 28296 O5* G B1373 -852.510 4.008 122.741 1.00855.43 O ATOM 28297 C5* G B1373 -852.763 5.286 123.311 1.00855.43 C ATOM 28298 C4* G B1373 -851.486 5.910 123.831 1.00855.43 C ATOM 28299 O4* G B1373 -851.014 5.195 125.005 1.00855.43 O ATOM 28300 C3* G B1373 -850.282 5.910 122.909 1.00855.43 C ATOM 28301 O3* G B1373 -850.334 6.942 121.935 1.00855.43 O ATOM 28302 C2* G B1373 -849.127 6.113 123.881 1.00855.43 C ATOM 28303 O2* G B1373 -848.944 7.469 124.234 1.00855.43 O ATOM 28304 C1* G B1373 -849.605 5.318 125.097 1.00855.43 C ATOM 28305 N9 G B1373 -849.005 3.988 125.087 1.00855.43 N ATOM 28306 C8 G B1373 -849.641 2.787 124.889 1.00855.43 C ATOM 28307 N7 G B1373 -848.823 1.771 124.879 1.00855.43 N ATOM 28308 C5 G B1373 -847.571 2.336 125.095 1.00855.43 C ATOM 28309 C6 G B1373 -846.290 1.731 125.177 1.00855.43 C ATOM 28310 O6 G B1373 -845.990 0.539 125.063 1.00855.43 O ATOM 28311 N1 G B1373 -845.294 2.675 125.415 1.00855.43 N ATOM 28312 C2 G B1373 -845.501 4.024 125.549 1.00855.43 C ATOM 28313 N2 G B1373 -844.409 4.771 125.778 1.00855.43 N ATOM 28314 N3 G B1373 -846.688 4.599 125.467 1.00855.43 N ATOM 28315 C4 G B1373 -847.670 3.702 125.239 1.00855.43 C ATOM 28316 P G B1374 -849.960 6.603 120.407 1.00855.43 P ATOM 28317 O1P G B1374 -849.871 7.885 119.666 1.00855.43 O ATOM 28318 O2P G B1374 -850.888 5.544 119.933 1.00855.43 O ATOM 28319 O5* G B1374 -848.501 5.970 120.492 1.00855.43 O ATOM 28320 C5* G B1374 -847.392 6.734 120.969 1.00855.43 C ATOM 28321 C4* G B1374 -846.279 5.813 121.422 1.00855.43 C ATOM 28322 O4* G B1374 -846.797 4.888 122.413 1.00855.43 O ATOM 28323 C3* G B1374 -845.679 4.934 120.353 1.00855.43 C ATOM 28324 O3* G B1374 -844.647 5.659 119.696 1.00855.43 O ATOM 28325 C2* G B1374 -845.147 3.742 121.136 1.00855.43 C ATOM 28326 O2* G B1374 -843.871 3.980 121.698 1.00855.43 O ATOM 28327 C1* G B1374 -846.192 3.617 122.245 1.00855.43 C ATOM 28328 N9 G B1374 -847.237 2.669 121.879 1.00855.43 N ATOM 28329 C8 G B1374 -848.563 2.953 121.642 1.00855.43 C ATOM 28330 N7 G B1374 -849.255 1.907 121.292 1.00855.43 N ATOM 28331 C5 G B1374 -848.338 0.865 121.303 1.00855.43 C ATOM 28332 C6 G B1374 -848.505 -0.510 121.004 1.00855.43 C ATOM 28333 O6 G B1374 -849.530 -1.104 120.652 1.00855.43 O ATOM 28334 N1 G B1374 -847.314 -1.213 121.146 1.00855.43 N ATOM 28335 C2 G B1374 -846.114 -0.665 121.526 1.00855.43 C ATOM 28336 N2 G B1374 -845.076 -1.512 121.610 1.00855.43 N ATOM 28337 N3 G B1374 -845.943 0.617 121.803 1.00855.43 N ATOM 28338 C4 G B1374 -847.089 1.318 121.675 1.00855.43 C ATOM 28339 P C B1375 -843.865 4.978 118.469 1.00855.43 P ATOM 28340 O1P C B1375 -842.866 5.937 117.955 1.00855.43 O ATOM 28341 O2P C B1375 -844.866 4.398 117.540 1.00855.43 O ATOM 28342 O5* C B1375 -843.049 3.791 119.142 1.00855.43 O ATOM 28343 C5* C B1375 -841.630 3.741 119.044 1.00855.43 C ATOM 28344 C4* C B1375 -841.197 2.433 118.437 1.00855.43 C ATOM 28345 O4* C B1375 -841.871 1.349 119.127 1.00855.43 O ATOM 28346 C3* C B1375 -841.594 2.272 116.980 1.00855.43 C ATOM 28347 O3* C B1375 -840.631 2.816 116.087 1.00855.43 O ATOM 28348 C2* C B1375 -841.708 0.762 116.827 1.00855.43 C ATOM 28349 O2* C B1375 -840.453 0.149 116.611 1.00855.43 O ATOM 28350 C1* C B1375 -842.248 0.351 118.196 1.00855.43 C ATOM 28351 N1 C B1375 -843.715 0.249 118.206 1.00855.43 N ATOM 28352 C2 C B1375 -844.299 -1.014 118.310 1.00855.43 C ATOM 28353 O2 C B1375 -843.561 -2.006 118.404 1.00855.43 O ATOM 28354 N3 C B1375 -845.645 -1.127 118.305 1.00855.43 N ATOM 28355 C4 C B1375 -846.403 -0.033 118.201 1.00855.43 C ATOM 28356 N4 C B1375 -847.730 -0.190 118.196 1.00855.43 N ATOM 28357 C5 C B1375 -845.837 1.273 118.101 1.00855.43 C ATOM 28358 C6 C B1375 -844.499 1.366 118.107 1.00855.43 C ATOM 28359 P C B1376 -841.121 3.596 114.771 1.00855.43 P ATOM 28360 O1P C B1376 -840.033 4.529 114.406 1.00855.43 O ATOM 28361 O2P C B1376 -842.491 4.116 115.010 1.00855.43 O ATOM 28362 O5* C B1376 -841.196 2.466 113.652 1.00855.43 O ATOM 28363 C5* C B1376 -842.208 2.491 112.648 1.00855.43 C ATOM 28364 C4* C B1376 -842.602 1.083 112.268 1.00855.43 C ATOM 28365 O4* C B1376 -843.061 0.386 113.457 1.00855.43 O ATOM 28366 C3* C B1376 -843.749 0.919 111.281 1.00855.43 C ATOM 28367 O3* C B1376 -843.326 1.030 109.929 1.00855.43 O ATOM 28368 C2* C B1376 -844.266 -0.477 111.595 1.00855.43 C ATOM 28369 O2* C B1376 -843.503 -1.484 110.960 1.00855.43 O ATOM 28370 C1* C B1376 -844.072 -0.544 113.109 1.00855.43 C ATOM 28371 N1 C B1376 -845.295 -0.158 113.826 1.00855.43 N ATOM 28372 C2 C B1376 -846.225 -1.142 114.167 1.00855.43 C ATOM 28373 O2 C B1376 -845.983 -2.324 113.879 1.00855.43 O ATOM 28374 N3 C B1376 -847.360 -0.783 114.806 1.00855.43 N ATOM 28375 C4 C B1376 -847.585 0.500 115.099 1.00855.43 C ATOM 28376 N4 C B1376 -848.724 0.815 115.718 1.00855.43 N ATOM 28377 C5 C B1376 -846.650 1.520 114.767 1.00855.43 C ATOM 28378 C6 C B1376 -845.530 1.152 114.141 1.00855.43 C ATOM 28379 P G B1377 -844.418 1.298 108.791 1.00855.43 P ATOM 28380 O1P G B1377 -843.731 1.569 107.504 1.00855.43 O ATOM 28381 O2P G B1377 -845.334 2.326 109.361 1.00855.43 O ATOM 28382 O5* G B1377 -845.224 -0.078 108.679 1.00855.43 O ATOM 28383 C5* G B1377 -844.651 -1.258 108.100 1.00855.43 C ATOM 28384 C4* G B1377 -845.669 -2.392 108.115 1.00855.43 C ATOM 28385 O4* G B1377 -846.090 -2.572 109.494 1.00855.43 O ATOM 28386 C3* G B1377 -846.959 -2.159 107.337 1.00855.43 C ATOM 28387 O3* G B1377 -846.807 -2.643 105.994 1.00855.43 O ATOM 28388 C2* G B1377 -847.990 -2.978 108.106 1.00855.43 C ATOM 28389 O2* G B1377 -848.023 -4.328 107.685 1.00855.43 O ATOM 28390 C1* G B1377 -847.465 -2.908 109.544 1.00855.43 C ATOM 28391 N9 G B1377 -848.147 -1.950 110.414 1.00855.43 N ATOM 28392 C8 G B1377 -847.617 -0.812 110.979 1.00855.43 C ATOM 28393 N7 G B1377 -848.471 -0.152 111.712 1.00855.43 N ATOM 28394 C5 G B1377 -849.636 -0.898 111.637 1.00855.43 C ATOM 28395 C6 G B1377 -850.908 -0.682 112.236 1.00855.43 C ATOM 28396 O6 G B1377 -851.267 0.247 112.969 1.00855.43 O ATOM 28397 N1 G B1377 -851.808 -1.689 111.905 1.00855.43 N ATOM 28398 C2 G B1377 -851.525 -2.766 111.102 1.00855.43 C ATOM 28399 N2 G B1377 -852.528 -3.633 110.908 1.00855.43 N ATOM 28400 N3 G B1377 -850.348 -2.978 110.535 1.00855.43 N ATOM 28401 C4 G B1377 -849.460 -2.012 110.842 1.00855.43 C ATOM 28402 P A B1378 -847.163 -1.702 104.716 1.00855.43 P ATOM 28403 O1P A B1378 -846.895 -2.534 103.516 1.00855.43 O ATOM 28404 O2P A B1378 -846.454 -0.406 104.867 1.00855.43 O ATOM 28405 O5* A B1378 -848.744 -1.443 104.742 1.00855.43 O ATOM 28406 C5* A B1378 -849.290 -0.160 104.371 1.00855.43 C ATOM 28407 C4* A B1378 -850.803 -0.164 104.418 1.00855.43 C ATOM 28408 O4* A B1378 -851.308 -0.827 103.240 1.00855.43 O ATOM 28409 C3* A B1378 -851.452 -0.906 105.570 1.00855.43 C ATOM 28410 O3* A B1378 -851.520 -0.133 106.768 1.00855.43 O ATOM 28411 C2* A B1378 -852.838 -1.227 105.023 1.00855.43 C ATOM 28412 O2* A B1378 -853.742 -0.147 105.166 1.00855.43 O ATOM 28413 C1* A B1378 -852.542 -1.449 103.538 1.00855.43 C ATOM 28414 N9 A B1378 -852.400 -2.861 103.193 1.00855.43 N ATOM 28415 C8 A B1378 -851.233 -3.534 102.925 1.00855.43 C ATOM 28416 N7 A B1378 -851.408 -4.803 102.656 1.00855.43 N ATOM 28417 C5 A B1378 -852.780 -4.976 102.748 1.00855.43 C ATOM 28418 C6 A B1378 -853.602 -6.101 102.573 1.00855.43 C ATOM 28419 N6 A B1378 -853.142 -7.313 102.256 1.00855.43 N ATOM 28420 N1 A B1378 -854.934 -5.937 102.738 1.00855.43 N ATOM 28421 C2 A B1378 -855.396 -4.722 103.058 1.00855.43 C ATOM 28422 N3 A B1378 -854.722 -3.589 103.248 1.00855.43 N ATOM 28423 C4 A B1378 -853.404 -3.787 103.077 1.00855.43 C ATOM 28424 P A B1379 -851.699 -0.874 108.185 1.00855.43 P ATOM 28425 O1P A B1379 -851.409 0.115 109.253 1.00855.43 O ATOM 28426 O2P A B1379 -850.917 -2.134 108.121 1.00855.43 O ATOM 28427 O5* A B1379 -853.247 -1.254 108.251 1.00855.43 O ATOM 28428 C5* A B1379 -854.256 -0.248 108.156 1.00855.43 C ATOM 28429 C4* A B1379 -855.629 -0.883 108.158 1.00855.43 C ATOM 28430 O4* A B1379 -855.818 -1.626 106.926 1.00855.43 O ATOM 28431 C3* A B1379 -855.888 -1.900 109.257 1.00855.43 C ATOM 28432 O3* A B1379 -856.300 -1.281 110.475 1.00855.43 O ATOM 28433 C2* A B1379 -856.988 -2.773 108.661 1.00855.43 C ATOM 28434 O2* A B1379 -858.277 -2.221 108.832 1.00855.43 O ATOM 28435 C1* A B1379 -856.624 -2.764 107.174 1.00855.43 C ATOM 28436 N9 A B1379 -855.870 -3.951 106.768 1.00855.43 N ATOM 28437 C8 A B1379 -854.524 -4.054 106.525 1.00855.43 C ATOM 28438 N7 A B1379 -854.140 -5.257 106.181 1.00855.43 N ATOM 28439 C5 A B1379 -855.310 -5.999 106.194 1.00855.43 C ATOM 28440 C6 A B1379 -855.577 -7.353 105.918 1.00855.43 C ATOM 28441 N6 A B1379 -854.640 -8.234 105.561 1.00855.43 N ATOM 28442 N1 A B1379 -856.855 -7.776 106.026 1.00855.43 N ATOM 28443 C2 A B1379 -857.793 -6.892 106.383 1.00855.43 C ATOM 28444 N3 A B1379 -857.668 -5.596 106.666 1.00855.43 N ATOM 28445 C4 A B1379 -856.387 -5.207 106.552 1.00855.43 C ATOM 28446 P C B1380 -856.010 -2.009 111.877 1.00855.43 P ATOM 28447 O1P C B1380 -856.866 -1.356 112.902 1.00855.43 O ATOM 28448 O2P C B1380 -854.541 -2.065 112.075 1.00855.43 O ATOM 28449 O5* C B1380 -856.541 -3.498 111.671 1.00855.43 O ATOM 28450 C5* C B1380 -857.937 -3.786 111.664 1.00855.43 C ATOM 28451 C4* C B1380 -858.155 -5.279 111.585 1.00855.43 C ATOM 28452 O4* C B1380 -857.735 -5.741 110.276 1.00855.43 O ATOM 28453 C3* C B1380 -857.313 -6.104 112.552 1.00855.43 C ATOM 28454 O3* C B1380 -857.881 -6.224 113.855 1.00855.43 O ATOM 28455 C2* C B1380 -857.235 -7.454 111.847 1.00855.43 C ATOM 28456 O2* C B1380 -858.376 -8.259 112.072 1.00855.43 O ATOM 28457 C1* C B1380 -857.187 -7.040 110.375 1.00855.43 C ATOM 28458 N1 C B1380 -855.820 -6.995 109.835 1.00855.43 N ATOM 28459 C2 C B1380 -855.269 -8.153 109.283 1.00855.43 C ATOM 28460 O2 C B1380 -855.947 -9.192 109.267 1.00855.43 O ATOM 28461 N3 C B1380 -854.012 -8.117 108.787 1.00855.43 N ATOM 28462 C4 C B1380 -853.311 -6.979 108.826 1.00855.43 C ATOM 28463 N4 C B1380 -852.076 -6.987 108.324 1.00855.43 N ATOM 28464 C5 C B1380 -853.850 -5.784 109.384 1.00855.43 C ATOM 28465 C6 C B1380 -855.094 -5.836 109.871 1.00855.43 C ATOM 28466 P G B1381 -857.131 -5.565 115.121 1.00855.43 P ATOM 28467 O1P G B1381 -857.882 -5.970 116.338 1.00855.43 O ATOM 28468 O2P G B1381 -856.919 -4.125 114.836 1.00855.43 O ATOM 28469 O5* G B1381 -855.701 -6.273 115.157 1.00855.43 O ATOM 28470 C5* G B1381 -855.570 -7.657 114.855 1.00855.43 C ATOM 28471 C4* G B1381 -854.294 -7.913 114.107 1.00855.43 C ATOM 28472 O4* G B1381 -854.020 -6.754 113.285 1.00855.43 O ATOM 28473 C3* G B1381 -853.051 -8.092 114.960 1.00855.43 C ATOM 28474 O3* G B1381 -852.905 -9.440 115.397 1.00855.43 O ATOM 28475 C2* G B1381 -851.945 -7.639 114.022 1.00855.43 C ATOM 28476 O2* G B1381 -851.572 -8.646 113.102 1.00855.43 O ATOM 28477 C1* G B1381 -852.634 -6.491 113.283 1.00855.43 C ATOM 28478 N9 G B1381 -852.436 -5.224 113.971 1.00855.43 N ATOM 28479 C8 G B1381 -853.358 -4.544 114.732 1.00855.43 C ATOM 28480 N7 G B1381 -852.883 -3.447 115.253 1.00855.43 N ATOM 28481 C5 G B1381 -851.570 -3.396 114.803 1.00855.43 C ATOM 28482 C6 G B1381 -850.555 -2.440 115.043 1.00855.43 C ATOM 28483 O6 G B1381 -850.610 -1.414 115.726 1.00855.43 O ATOM 28484 N1 G B1381 -849.372 -2.779 114.392 1.00855.43 N ATOM 28485 C2 G B1381 -849.192 -3.893 113.611 1.00855.43 C ATOM 28486 N2 G B1381 -847.977 -4.042 113.064 1.00855.43 N ATOM 28487 N3 G B1381 -850.129 -4.792 113.383 1.00855.43 N ATOM 28488 C4 G B1381 -851.285 -4.484 114.004 1.00855.43 C ATOM 28489 P G B1382 -852.072 -9.754 116.733 1.00855.43 P ATOM 28490 O1P G B1382 -852.239 -11.199 117.037 1.00855.43 O ATOM 28491 O2P G B1382 -852.433 -8.744 117.760 1.00855.43 O ATOM 28492 O5* G B1382 -850.557 -9.514 116.302 1.00855.43 O ATOM 28493 C5* G B1382 -849.868 -10.470 115.503 1.00855.43 C ATOM 28494 C4* G B1382 -848.422 -10.073 115.333 1.00855.43 C ATOM 28495 O4* G B1382 -848.330 -8.799 114.639 1.00855.43 O ATOM 28496 C3* G B1382 -847.737 -9.850 116.676 1.00855.43 C ATOM 28497 O3* G B1382 -847.199 -11.046 117.226 1.00855.43 O ATOM 28498 C2* G B1382 -846.656 -8.832 116.334 1.00855.43 C ATOM 28499 O2* G B1382 -845.493 -9.431 115.791 1.00855.43 O ATOM 28500 C1* G B1382 -847.346 -7.989 115.260 1.00855.43 C ATOM 28501 N9 G B1382 -848.003 -6.813 115.821 1.00855.43 N ATOM 28502 C8 G B1382 -849.332 -6.671 116.139 1.00855.43 C ATOM 28503 N7 G B1382 -849.614 -5.499 116.640 1.00855.43 N ATOM 28504 C5 G B1382 -848.400 -4.828 116.655 1.00855.43 C ATOM 28505 C6 G B1382 -848.078 -3.517 117.094 1.00855.43 C ATOM 28506 O6 G B1382 -848.827 -2.655 117.575 1.00855.43 O ATOM 28507 N1 G B1382 -846.724 -3.242 116.929 1.00855.43 N ATOM 28508 C2 G B1382 -845.799 -4.114 116.412 1.00855.43 C ATOM 28509 N2 G B1382 -844.537 -3.661 116.330 1.00855.43 N ATOM 28510 N3 G B1382 -846.084 -5.337 116.000 1.00855.43 N ATOM 28511 C4 G B1382 -847.394 -5.625 116.150 1.00855.43 C ATOM 28512 P C B1383 -847.330 -11.321 118.803 1.00855.43 P ATOM 28513 O1P C B1383 -846.714 -12.646 119.076 1.00855.43 O ATOM 28514 O2P C B1383 -848.739 -11.071 119.202 1.00855.43 O ATOM 28515 O5* C B1383 -846.416 -10.198 119.467 1.00855.43 O ATOM 28516 C5* C B1383 -845.013 -10.167 119.221 1.00855.43 C ATOM 28517 C4* C B1383 -844.453 -8.790 119.501 1.00855.43 C ATOM 28518 O4* C B1383 -845.255 -7.782 118.838 1.00855.43 O ATOM 28519 C3* C B1383 -844.418 -8.315 120.945 1.00855.43 C ATOM 28520 O3* C B1383 -843.272 -8.835 121.614 1.00855.43 O ATOM 28521 C2* C B1383 -844.341 -6.796 120.812 1.00855.43 C ATOM 28522 O2* C B1383 -843.015 -6.333 120.650 1.00855.43 O ATOM 28523 C1* C B1383 -845.121 -6.547 119.518 1.00855.43 C ATOM 28524 N1 C B1383 -846.458 -5.969 119.732 1.00855.43 N ATOM 28525 C2 C B1383 -846.561 -4.596 119.983 1.00855.43 C ATOM 28526 O2 C B1383 -845.527 -3.911 120.027 1.00855.43 O ATOM 28527 N3 C B1383 -847.784 -4.049 120.171 1.00855.43 N ATOM 28528 C4 C B1383 -848.873 -4.816 120.117 1.00855.43 C ATOM 28529 N4 C B1383 -850.058 -4.231 120.305 1.00855.43 N ATOM 28530 C5 C B1383 -848.798 -6.218 119.870 1.00855.43 C ATOM 28531 C6 C B1383 -847.581 -6.748 119.683 1.00855.43 C ATOM 28532 P G B1384 -843.273 -8.961 123.217 1.00855.43 P ATOM 28533 O1P G B1384 -842.010 -9.643 123.606 1.00855.43 O ATOM 28534 O2P G B1384 -844.576 -9.527 123.646 1.00855.43 O ATOM 28535 O5* G B1384 -843.190 -7.451 123.720 1.00855.43 O ATOM 28536 C5* G B1384 -841.951 -6.749 123.727 1.00855.43 C ATOM 28537 C4* G B1384 -842.155 -5.331 124.200 1.00855.43 C ATOM 28538 O4* G B1384 -843.187 -4.684 123.412 1.00855.43 O ATOM 28539 C3* G B1384 -842.597 -5.194 125.658 1.00855.43 C ATOM 28540 O3* G B1384 -841.493 -5.159 126.556 1.00855.43 O ATOM 28541 C2* G B1384 -843.378 -3.881 125.651 1.00855.43 C ATOM 28542 O2* G B1384 -842.546 -2.750 125.775 1.00855.43 O ATOM 28543 C1* G B1384 -844.008 -3.899 124.254 1.00855.43 C ATOM 28544 N9 G B1384 -845.363 -4.445 124.222 1.00855.43 N ATOM 28545 C8 G B1384 -845.722 -5.770 124.206 1.00855.43 C ATOM 28546 N7 G B1384 -847.015 -5.950 124.155 1.00855.43 N ATOM 28547 C5 G B1384 -847.539 -4.664 124.137 1.00855.43 C ATOM 28548 C6 G B1384 -848.886 -4.222 124.079 1.00855.43 C ATOM 28549 O6 G B1384 -849.919 -4.902 124.023 1.00855.43 O ATOM 28550 N1 G B1384 -848.972 -2.835 124.087 1.00855.43 N ATOM 28551 C2 G B1384 -847.896 -1.979 124.139 1.00855.43 C ATOM 28552 N2 G B1384 -848.184 -0.669 124.138 1.00855.43 N ATOM 28553 N3 G B1384 -846.637 -2.378 124.189 1.00855.43 N ATOM 28554 C4 G B1384 -846.533 -3.725 124.183 1.00855.43 C ATOM 28555 P C B1385 -841.753 -5.038 128.134 1.00855.43 P ATOM 28556 O1P C B1385 -840.518 -5.490 128.824 1.00855.43 O ATOM 28557 O2P C B1385 -843.050 -5.685 128.448 1.00855.43 O ATOM 28558 O5* C B1385 -841.906 -3.469 128.372 1.00855.43 O ATOM 28559 C5* C B1385 -840.761 -2.627 128.429 1.00855.43 C ATOM 28560 C4* C B1385 -841.149 -1.260 128.940 1.00855.43 C ATOM 28561 O4* C B1385 -841.967 -0.586 127.949 1.00855.43 O ATOM 28562 C3* C B1385 -841.973 -1.217 130.200 1.00855.43 C ATOM 28563 O3* C B1385 -841.089 -1.283 131.312 1.00855.43 O ATOM 28564 C2* C B1385 -842.689 0.123 130.106 1.00855.43 C ATOM 28565 O2* C B1385 -841.895 1.198 130.562 1.00855.43 O ATOM 28566 C1* C B1385 -842.910 0.248 128.595 1.00855.43 C ATOM 28567 N1 C B1385 -844.255 -0.183 128.192 1.00855.43 N ATOM 28568 C2 C B1385 -845.317 0.723 128.300 1.00855.43 C ATOM 28569 O2 C B1385 -845.087 1.867 128.721 1.00855.43 O ATOM 28570 N3 C B1385 -846.561 0.328 127.946 1.00855.43 N ATOM 28571 C4 C B1385 -846.767 -0.913 127.499 1.00855.43 C ATOM 28572 N4 C B1385 -848.010 -1.263 127.171 1.00855.43 N ATOM 28573 C5 C B1385 -845.702 -1.854 127.374 1.00855.43 C ATOM 28574 C6 C B1385 -844.472 -1.448 127.724 1.00855.43 C ATOM 28575 P A B1386 -841.655 -1.757 132.738 1.00855.43 P ATOM 28576 O1P A B1386 -840.557 -1.603 133.728 1.00855.43 O ATOM 28577 O2P A B1386 -842.302 -3.084 132.565 1.00855.43 O ATOM 28578 O5* A B1386 -842.782 -0.686 133.074 1.00855.43 O ATOM 28579 C5* A B1386 -842.661 0.162 134.212 1.00855.43 C ATOM 28580 C4* A B1386 -844.021 0.483 134.793 1.00855.43 C ATOM 28581 O4* A B1386 -844.816 1.234 133.840 1.00855.43 O ATOM 28582 C3* A B1386 -844.897 -0.702 135.175 1.00855.43 C ATOM 28583 O3* A B1386 -844.563 -1.250 136.444 1.00855.43 O ATOM 28584 C2* A B1386 -846.292 -0.088 135.164 1.00855.43 C ATOM 28585 O2* A B1386 -846.597 0.605 136.356 1.00855.43 O ATOM 28586 C1* A B1386 -846.187 0.911 134.007 1.00855.43 C ATOM 28587 N9 A B1386 -846.687 0.341 132.761 1.00855.43 N ATOM 28588 C8 A B1386 -845.970 -0.211 131.732 1.00855.43 C ATOM 28589 N7 A B1386 -846.709 -0.670 130.759 1.00855.43 N ATOM 28590 C5 A B1386 -848.008 -0.396 131.166 1.00855.43 C ATOM 28591 C6 A B1386 -849.256 -0.649 130.577 1.00855.43 C ATOM 28592 N6 A B1386 -849.398 -1.265 129.403 1.00855.43 N ATOM 28593 N1 A B1386 -850.359 -0.249 131.245 1.00855.43 N ATOM 28594 C2 A B1386 -850.205 0.356 132.428 1.00855.43 C ATOM 28595 N3 A B1386 -849.085 0.642 133.090 1.00855.43 N ATOM 28596 C4 A B1386 -848.008 0.234 132.395 1.00855.43 C ATOM 28597 P G B1387 -844.533 -2.846 136.636 1.00855.43 P ATOM 28598 O1P G B1387 -844.334 -3.116 138.081 1.00855.43 O ATOM 28599 O2P G B1387 -843.579 -3.409 135.646 1.00855.43 O ATOM 28600 O5* G B1387 -846.003 -3.319 136.235 1.00855.43 O ATOM 28601 C5* G B1387 -847.134 -2.902 136.989 1.00855.43 C ATOM 28602 C4* G B1387 -848.400 -3.491 136.408 1.00855.43 C ATOM 28603 O4* G B1387 -848.317 -3.443 134.960 1.00855.43 O ATOM 28604 C3* G B1387 -848.744 -4.953 136.664 1.00855.43 C ATOM 28605 O3* G B1387 -849.323 -5.141 137.947 1.00855.43 O ATOM 28606 C2* G B1387 -849.728 -5.269 135.548 1.00855.43 C ATOM 28607 O2* G B1387 -851.042 -4.850 135.844 1.00855.43 O ATOM 28608 C1* G B1387 -849.164 -4.431 134.399 1.00855.43 C ATOM 28609 N9 G B1387 -848.365 -5.255 133.497 1.00855.43 N ATOM 28610 C8 G B1387 -847.024 -5.541 133.600 1.00855.43 C ATOM 28611 N7 G B1387 -846.595 -6.329 132.653 1.00855.43 N ATOM 28612 C5 G B1387 -847.721 -6.578 131.878 1.00855.43 C ATOM 28613 C6 G B1387 -847.875 -7.364 130.713 1.00855.43 C ATOM 28614 O6 G B1387 -847.024 -8.029 130.111 1.00855.43 O ATOM 28615 N1 G B1387 -849.187 -7.337 130.247 1.00855.43 N ATOM 28616 C2 G B1387 -850.218 -6.643 130.830 1.00855.43 C ATOM 28617 N2 G B1387 -851.413 -6.742 130.233 1.00855.43 N ATOM 28618 N3 G B1387 -850.086 -5.903 131.918 1.00855.43 N ATOM 28619 C4 G B1387 -848.820 -5.917 132.384 1.00855.43 C ATOM 28620 P C B1388 -849.264 -6.593 138.637 1.00855.43 P ATOM 28621 O1P C B1388 -849.704 -6.441 140.047 1.00855.43 O ATOM 28622 O2P C B1388 -847.941 -7.197 138.343 1.00855.43 O ATOM 28623 O5* C B1388 -850.375 -7.437 137.863 1.00855.43 O ATOM 28624 C5* C B1388 -851.763 -7.180 138.066 1.00855.43 C ATOM 28625 C4* C B1388 -852.597 -8.015 137.123 1.00855.43 C ATOM 28626 O4* C B1388 -852.072 -7.898 135.773 1.00855.43 O ATOM 28627 C3* C B1388 -852.617 -9.502 137.383 1.00855.43 C ATOM 28628 O3* C B1388 -853.594 -9.799 138.373 1.00855.43 O ATOM 28629 C2* C B1388 -852.976 -10.088 136.024 1.00855.43 C ATOM 28630 O2* C B1388 -854.367 -10.096 135.782 1.00855.43 O ATOM 28631 C1* C B1388 -852.293 -9.108 135.069 1.00855.43 C ATOM 28632 N1 C B1388 -850.997 -9.601 134.580 1.00855.43 N ATOM 28633 C2 C B1388 -850.923 -10.152 133.300 1.00855.43 C ATOM 28634 O2 C B1388 -851.952 -10.204 132.607 1.00855.43 O ATOM 28635 N3 C B1388 -849.736 -10.617 132.847 1.00855.43 N ATOM 28636 C4 C B1388 -848.651 -10.543 133.621 1.00855.43 C ATOM 28637 N4 C B1388 -847.503 -11.018 133.135 1.00855.43 N ATOM 28638 C5 C B1388 -848.699 -9.981 134.929 1.00855.43 C ATOM 28639 C6 C B1388 -849.882 -9.526 135.364 1.00855.43 C ATOM 28640 P C B1389 -853.514 -11.192 139.173 1.00855.43 P ATOM 28641 O1P C B1389 -854.903 -11.667 139.390 1.00855.43 O ATOM 28642 O2P C B1389 -852.611 -11.007 140.339 1.00855.43 O ATOM 28643 O5* C B1389 -852.802 -12.180 138.147 1.00855.43 O ATOM 28644 C5* C B1389 -853.487 -13.322 137.642 1.00855.43 C ATOM 28645 C4* C B1389 -853.393 -13.364 136.133 1.00855.43 C ATOM 28646 O4* C B1389 -852.091 -12.875 135.725 1.00855.43 O ATOM 28647 C3* C B1389 -853.426 -14.723 135.476 1.00855.43 C ATOM 28648 O3* C B1389 -854.787 -15.060 135.244 1.00855.43 O ATOM 28649 C2* C B1389 -852.644 -14.601 134.173 1.00855.43 C ATOM 28650 O2* C B1389 -853.480 -14.373 133.056 1.00855.43 O ATOM 28651 C1* C B1389 -851.788 -13.358 134.429 1.00855.43 C ATOM 28652 N1 C B1389 -850.337 -13.593 134.352 1.00855.43 N ATOM 28653 C2 C B1389 -849.764 -13.927 133.119 1.00855.43 C ATOM 28654 O2 C B1389 -850.499 -14.035 132.127 1.00855.43 O ATOM 28655 N3 C B1389 -848.428 -14.121 133.042 1.00855.43 N ATOM 28656 C4 C B1389 -847.670 -13.996 134.134 1.00855.43 C ATOM 28657 N4 C B1389 -846.355 -14.189 134.008 1.00855.43 N ATOM 28658 C5 C B1389 -848.228 -13.668 135.403 1.00855.43 C ATOM 28659 C6 C B1389 -849.549 -13.475 135.468 1.00855.43 C ATOM 28660 P G B1390 -855.201 -16.591 134.996 1.00855.43 P ATOM 28661 O1P G B1390 -856.181 -16.617 133.883 1.00855.43 O ATOM 28662 O2P G B1390 -855.560 -17.196 136.307 1.00855.43 O ATOM 28663 O5* G B1390 -853.855 -17.272 134.490 1.00855.43 O ATOM 28664 C5* G B1390 -853.717 -17.719 133.140 1.00855.43 C ATOM 28665 C4* G B1390 -852.563 -18.687 133.038 1.00855.43 C ATOM 28666 O4* G B1390 -851.316 -17.944 133.012 1.00855.43 O ATOM 28667 C3* G B1390 -852.313 -19.602 134.218 1.00855.43 C ATOM 28668 O3* G B1390 -853.234 -20.685 134.240 1.00855.43 O ATOM 28669 C2* G B1390 -850.861 -20.027 134.052 1.00855.43 C ATOM 28670 O2* G B1390 -850.710 -21.134 133.183 1.00855.43 O ATOM 28671 C1* G B1390 -850.248 -18.779 133.423 1.00855.43 C ATOM 28672 N9 G B1390 -849.458 -18.024 134.392 1.00855.43 N ATOM 28673 C8 G B1390 -849.939 -17.363 135.495 1.00855.43 C ATOM 28674 N7 G B1390 -849.005 -16.792 136.201 1.00855.43 N ATOM 28675 C5 G B1390 -847.832 -17.090 135.523 1.00855.43 C ATOM 28676 C6 G B1390 -846.492 -16.741 135.814 1.00855.43 C ATOM 28677 O6 G B1390 -846.058 -16.077 136.765 1.00855.43 O ATOM 28678 N1 G B1390 -845.614 -17.240 134.863 1.00855.43 N ATOM 28679 C2 G B1390 -845.975 -17.988 133.767 1.00855.43 C ATOM 28680 N2 G B1390 -844.975 -18.376 132.962 1.00855.43 N ATOM 28681 N3 G B1390 -847.225 -18.326 133.484 1.00855.43 N ATOM 28682 C4 G B1390 -848.095 -17.847 134.398 1.00855.43 C ATOM 28683 P A B1391 -854.107 -20.942 135.566 1.00855.43 P ATOM 28684 O1P A B1391 -855.369 -21.601 135.139 1.00855.43 O ATOM 28685 O2P A B1391 -854.166 -19.674 136.336 1.00855.43 O ATOM 28686 O5* A B1391 -853.258 -21.997 136.400 1.00855.43 O ATOM 28687 C5* A B1391 -851.954 -21.672 136.873 1.00855.43 C ATOM 28688 C4* A B1391 -850.987 -22.765 136.498 1.00855.43 C ATOM 28689 O4* A B1391 -849.688 -22.184 136.235 1.00855.43 O ATOM 28690 C3* A B1391 -850.726 -23.884 137.492 1.00855.43 C ATOM 28691 O3* A B1391 -851.790 -24.835 137.408 1.00855.43 O ATOM 28692 C2* A B1391 -849.358 -24.404 137.052 1.00855.43 C ATOM 28693 O2* A B1391 -849.463 -25.295 135.965 1.00855.43 O ATOM 28694 C1* A B1391 -848.678 -23.123 136.544 1.00855.43 C ATOM 28695 N9 A B1391 -847.719 -22.478 137.447 1.00855.43 N ATOM 28696 C8 A B1391 -847.885 -21.318 138.172 1.00855.43 C ATOM 28697 N7 A B1391 -846.819 -20.960 138.855 1.00855.43 N ATOM 28698 C5 A B1391 -845.898 -21.964 138.573 1.00855.43 C ATOM 28699 C6 A B1391 -844.573 -22.170 138.991 1.00855.43 C ATOM 28700 N6 A B1391 -843.921 -21.345 139.814 1.00855.43 N ATOM 28701 N1 A B1391 -843.931 -23.265 138.526 1.00855.43 N ATOM 28702 C2 A B1391 -844.584 -24.089 137.699 1.00855.43 C ATOM 28703 N3 A B1391 -845.830 -24.003 137.233 1.00855.43 N ATOM 28704 C4 A B1391 -846.442 -22.908 137.715 1.00855.43 C ATOM 28705 P U B1392 -851.655 -26.295 138.075 1.00855.43 P ATOM 28706 O1P U B1392 -850.793 -27.127 137.197 1.00855.43 O ATOM 28707 O2P U B1392 -853.033 -26.757 138.385 1.00855.43 O ATOM 28708 O5* U B1392 -850.902 -26.081 139.462 1.00855.43 O ATOM 28709 C5* U B1392 -851.281 -26.846 140.606 1.00855.43 C ATOM 28710 C4* U B1392 -850.115 -27.668 141.110 1.00855.43 C ATOM 28711 O4* U B1392 -849.477 -28.349 140.002 1.00855.43 O ATOM 28712 C3* U B1392 -848.999 -26.893 141.782 1.00855.43 C ATOM 28713 O3* U B1392 -849.308 -26.760 143.168 1.00855.43 O ATOM 28714 C2* U B1392 -847.784 -27.800 141.593 1.00855.43 C ATOM 28715 O2* U B1392 -847.677 -28.776 142.611 1.00855.43 O ATOM 28716 C1* U B1392 -848.093 -28.494 140.265 1.00855.43 C ATOM 28717 N1 U B1392 -847.340 -28.002 139.100 1.00855.43 N ATOM 28718 C2 U B1392 -845.956 -28.011 139.164 1.00855.43 C ATOM 28719 O2 U B1392 -845.334 -28.397 140.139 1.00855.43 O ATOM 28720 N3 U B1392 -845.323 -27.551 138.034 1.00855.43 N ATOM 28721 C4 U B1392 -845.917 -27.098 136.875 1.00855.43 C ATOM 28722 O4 U B1392 -845.210 -26.728 135.935 1.00855.43 O ATOM 28723 C5 U B1392 -847.345 -27.123 136.890 1.00855.43 C ATOM 28724 C6 U B1392 -847.993 -27.562 137.974 1.00855.43 C ATOM 28725 P G B1393 -849.373 -25.304 143.838 1.00855.43 P ATOM 28726 O1P G B1393 -850.104 -25.441 145.124 1.00855.43 O ATOM 28727 O2P G B1393 -849.867 -24.346 142.816 1.00855.43 O ATOM 28728 O5* G B1393 -847.856 -24.941 144.164 1.00855.43 O ATOM 28729 C5* G B1393 -846.859 -25.953 144.319 1.00855.43 C ATOM 28730 C4* G B1393 -845.626 -25.574 143.531 1.00855.43 C ATOM 28731 O4* G B1393 -846.041 -25.147 142.205 1.00855.43 O ATOM 28732 C3* G B1393 -844.835 -24.401 144.098 1.00855.43 C ATOM 28733 O3* G B1393 -843.869 -24.859 145.036 1.00855.43 O ATOM 28734 C2* G B1393 -844.216 -23.774 142.857 1.00855.43 C ATOM 28735 O2* G B1393 -843.045 -24.454 142.448 1.00855.43 O ATOM 28736 C1* G B1393 -845.319 -23.987 141.820 1.00855.43 C ATOM 28737 N9 G B1393 -846.290 -22.896 141.760 1.00855.43 N ATOM 28738 C8 G B1393 -847.609 -23.035 141.398 1.00855.43 C ATOM 28739 N7 G B1393 -848.273 -21.916 141.432 1.00855.43 N ATOM 28740 C5 G B1393 -847.344 -20.968 141.837 1.00855.43 C ATOM 28741 C6 G B1393 -847.499 -19.577 142.052 1.00855.43 C ATOM 28742 O6 G B1393 -848.518 -18.885 141.922 1.00855.43 O ATOM 28743 N1 G B1393 -846.309 -18.984 142.454 1.00855.43 N ATOM 28744 C2 G B1393 -845.122 -19.645 142.635 1.00855.43 C ATOM 28745 N2 G B1393 -844.104 -18.865 143.033 1.00855.43 N ATOM 28746 N3 G B1393 -844.955 -20.954 142.438 1.00855.43 N ATOM 28747 C4 G B1393 -846.104 -21.553 142.041 1.00855.43 C ATOM 28748 P G B1394 -844.007 -24.453 146.582 1.00855.43 P ATOM 28749 O1P G B1394 -843.100 -25.348 147.351 1.00855.43 O ATOM 28750 O2P G B1394 -845.447 -24.398 146.931 1.00855.43 O ATOM 28751 O5* G B1394 -843.410 -22.976 146.654 1.00855.43 O ATOM 28752 C5* G B1394 -842.144 -22.733 147.256 1.00855.43 C ATOM 28753 C4* G B1394 -842.214 -21.529 148.169 1.00855.43 C ATOM 28754 O4* G B1394 -842.524 -20.332 147.410 1.00855.43 O ATOM 28755 C3* G B1394 -843.254 -21.571 149.275 1.00855.43 C ATOM 28756 O3* G B1394 -842.779 -22.284 150.413 1.00855.43 O ATOM 28757 C2* G B1394 -843.466 -20.094 149.589 1.00855.43 C ATOM 28758 O2* G B1394 -842.497 -19.581 150.478 1.00855.43 O ATOM 28759 C1* G B1394 -843.288 -19.447 148.213 1.00855.43 C ATOM 28760 N9 G B1394 -844.557 -19.182 147.547 1.00855.43 N ATOM 28761 C8 G B1394 -844.953 -19.598 146.297 1.00855.43 C ATOM 28762 N7 G B1394 -846.153 -19.196 145.979 1.00855.43 N ATOM 28763 C5 G B1394 -846.580 -18.476 147.085 1.00855.43 C ATOM 28764 C6 G B1394 -847.805 -17.802 147.327 1.00855.43 C ATOM 28765 O6 G B1394 -848.791 -17.702 146.587 1.00855.43 O ATOM 28766 N1 G B1394 -847.821 -17.204 148.585 1.00855.43 N ATOM 28767 C2 G B1394 -846.793 -17.244 149.491 1.00855.43 C ATOM 28768 N2 G B1394 -847.004 -16.607 150.651 1.00855.43 N ATOM 28769 N3 G B1394 -845.644 -17.868 149.278 1.00855.43 N ATOM 28770 C4 G B1394 -845.609 -18.459 148.062 1.00855.43 C ATOM 28771 P A B1395 -843.786 -23.246 151.215 1.00855.43 P ATOM 28772 O1P A B1395 -843.035 -23.817 152.364 1.00855.43 O ATOM 28773 O2P A B1395 -844.434 -24.163 150.242 1.00855.43 O ATOM 28774 O5* A B1395 -844.894 -22.262 151.789 1.00855.43 O ATOM 28775 C5* A B1395 -844.679 -21.538 153.002 1.00855.43 C ATOM 28776 C4* A B1395 -845.948 -20.834 153.422 1.00855.43 C ATOM 28777 O4* A B1395 -846.356 -19.898 152.391 1.00855.43 O ATOM 28778 C3* A B1395 -847.186 -21.669 153.680 1.00855.43 C ATOM 28779 O3* A B1395 -847.145 -22.241 154.984 1.00855.43 O ATOM 28780 C2* A B1395 -848.318 -20.663 153.511 1.00855.43 C ATOM 28781 O2* A B1395 -848.551 -19.900 154.679 1.00855.43 O ATOM 28782 C1* A B1395 -847.764 -19.751 152.414 1.00855.43 C ATOM 28783 N9 A B1395 -848.272 -20.092 151.084 1.00855.43 N ATOM 28784 C8 A B1395 -847.602 -20.721 150.064 1.00855.43 C ATOM 28785 N7 A B1395 -848.322 -20.894 148.985 1.00855.43 N ATOM 28786 C5 A B1395 -849.553 -20.344 149.312 1.00855.43 C ATOM 28787 C6 A B1395 -850.752 -20.208 148.592 1.00855.43 C ATOM 28788 N6 A B1395 -850.914 -20.642 147.337 1.00855.43 N ATOM 28789 N1 A B1395 -851.792 -19.609 149.209 1.00855.43 N ATOM 28790 C2 A B1395 -851.628 -19.176 150.464 1.00855.43 C ATOM 28791 N3 A B1395 -850.551 -19.244 151.246 1.00855.43 N ATOM 28792 C4 A B1395 -849.538 -19.844 150.602 1.00855.43 C ATOM 28793 P C B1396 -847.627 -23.759 155.199 1.00855.43 P ATOM 28794 O1P C B1396 -846.568 -24.459 155.969 1.00855.43 O ATOM 28795 O2P C B1396 -848.050 -24.296 153.882 1.00855.43 O ATOM 28796 O5* C B1396 -848.919 -23.632 156.121 1.00855.43 O ATOM 28797 C5* C B1396 -848.909 -22.823 157.295 1.00855.43 C ATOM 28798 C4* C B1396 -849.806 -23.420 158.343 1.00855.43 C ATOM 28799 O4* C B1396 -850.940 -24.048 157.687 1.00855.43 O ATOM 28800 C3* C B1396 -849.213 -24.515 159.215 1.00855.43 C ATOM 28801 O3* C B1396 -848.536 -23.938 160.327 1.00855.43 O ATOM 28802 C2* C B1396 -850.444 -25.306 159.647 1.00855.43 C ATOM 28803 O2* C B1396 -851.103 -24.727 160.755 1.00855.43 O ATOM 28804 C1* C B1396 -851.339 -25.198 158.412 1.00855.43 C ATOM 28805 N1 C B1396 -851.225 -26.360 157.519 1.00855.43 N ATOM 28806 C2 C B1396 -851.967 -27.511 157.809 1.00855.43 C ATOM 28807 O2 C B1396 -852.702 -27.516 158.807 1.00855.43 O ATOM 28808 N3 C B1396 -851.864 -28.588 156.996 1.00855.43 N ATOM 28809 C4 C B1396 -851.061 -28.543 155.928 1.00855.43 C ATOM 28810 N4 C B1396 -850.986 -29.629 155.155 1.00855.43 N ATOM 28811 C5 C B1396 -850.298 -27.383 155.607 1.00855.43 C ATOM 28812 C6 C B1396 -850.411 -26.325 156.421 1.00855.43 C ATOM 28813 P A B1397 -847.552 -24.846 161.220 1.00855.43 P ATOM 28814 O1P A B1397 -846.207 -24.787 160.594 1.00855.43 O ATOM 28815 O2P A B1397 -848.203 -26.161 161.443 1.00855.43 O ATOM 28816 O5* A B1397 -847.481 -24.075 162.611 1.00855.43 O ATOM 28817 C5* A B1397 -847.638 -24.766 163.850 1.00855.43 C ATOM 28818 C4* A B1397 -848.986 -24.447 164.444 1.00855.43 C ATOM 28819 O4* A B1397 -849.239 -23.026 164.294 1.00855.43 O ATOM 28820 C3* A B1397 -850.135 -25.119 163.742 1.00855.43 C ATOM 28821 O3* A B1397 -850.332 -26.410 164.310 1.00855.43 O ATOM 28822 C2* A B1397 -851.302 -24.170 163.989 1.00855.43 C ATOM 28823 O2* A B1397 -851.902 -24.371 165.254 1.00855.43 O ATOM 28824 C1* A B1397 -850.600 -22.810 163.964 1.00855.43 C ATOM 28825 N9 A B1397 -850.626 -22.181 162.645 1.00855.43 N ATOM 28826 C8 A B1397 -849.555 -21.637 161.978 1.00855.43 C ATOM 28827 N7 A B1397 -849.856 -21.146 160.805 1.00855.43 N ATOM 28828 C5 A B1397 -851.216 -21.378 160.684 1.00855.43 C ATOM 28829 C6 A B1397 -852.136 -21.093 159.664 1.00855.43 C ATOM 28830 N6 A B1397 -851.806 -20.488 158.518 1.00855.43 N ATOM 28831 N1 A B1397 -853.422 -21.454 159.857 1.00855.43 N ATOM 28832 C2 A B1397 -853.752 -22.061 161.003 1.00855.43 C ATOM 28833 N3 A B1397 -852.978 -22.385 162.037 1.00855.43 N ATOM 28834 C4 A B1397 -851.705 -22.012 161.812 1.00855.43 C ATOM 28835 P G B1398 -849.918 -27.719 163.475 1.00855.43 P ATOM 28836 O1P G B1398 -848.463 -27.933 163.699 1.00855.43 O ATOM 28837 O2P G B1398 -850.430 -27.577 162.088 1.00855.43 O ATOM 28838 O5* G B1398 -850.715 -28.898 164.192 1.00855.43 O ATOM 28839 C5* G B1398 -852.067 -28.711 164.603 1.00855.43 C ATOM 28840 C4* G B1398 -852.576 -29.954 165.287 1.00855.43 C ATOM 28841 O4* G B1398 -853.625 -29.610 166.228 1.00855.43 O ATOM 28842 C3* G B1398 -853.183 -31.048 164.420 1.00855.43 C ATOM 28843 O3* G B1398 -852.225 -31.894 163.793 1.00855.43 O ATOM 28844 C2* G B1398 -854.046 -31.815 165.413 1.00855.43 C ATOM 28845 O2* G B1398 -853.308 -32.763 166.157 1.00855.43 O ATOM 28846 C1* G B1398 -854.515 -30.704 166.353 1.00855.43 C ATOM 28847 N9 G B1398 -855.872 -30.242 166.091 1.00855.43 N ATOM 28848 C8 G B1398 -856.767 -30.736 165.170 1.00855.43 C ATOM 28849 N7 G B1398 -857.913 -30.109 165.183 1.00855.43 N ATOM 28850 C5 G B1398 -857.764 -29.146 166.172 1.00855.43 C ATOM 28851 C6 G B1398 -858.675 -28.158 166.648 1.00855.43 C ATOM 28852 O6 G B1398 -859.834 -27.928 166.278 1.00855.43 O ATOM 28853 N1 G B1398 -858.106 -27.392 167.663 1.00855.43 N ATOM 28854 C2 G B1398 -856.836 -27.547 168.153 1.00855.43 C ATOM 28855 N2 G B1398 -856.466 -26.704 169.129 1.00855.43 N ATOM 28856 N3 G B1398 -855.984 -28.458 167.723 1.00855.43 N ATOM 28857 C4 G B1398 -856.511 -29.215 166.740 1.00855.43 C ATOM 28858 P C B1399 -852.717 -33.001 162.731 1.00855.43 P ATOM 28859 O1P C B1399 -851.547 -33.342 161.881 1.00855.43 O ATOM 28860 O2P C B1399 -853.971 -32.523 162.098 1.00855.43 O ATOM 28861 O5* C B1399 -853.056 -34.270 163.637 1.00855.43 O ATOM 28862 C5* C B1399 -852.129 -35.347 163.731 1.00855.43 C ATOM 28863 C4* C B1399 -852.372 -36.172 164.976 1.00855.43 C ATOM 28864 O4* C B1399 -852.618 -35.333 166.130 1.00855.43 O ATOM 28865 C3* C B1399 -853.501 -37.168 164.922 1.00855.43 C ATOM 28866 O3* C B1399 -853.070 -38.377 164.306 1.00855.43 O ATOM 28867 C2* C B1399 -853.776 -37.394 166.408 1.00855.43 C ATOM 28868 O2* C B1399 -852.879 -38.319 166.989 1.00855.43 O ATOM 28869 C1* C B1399 -853.490 -36.017 167.010 1.00855.43 C ATOM 28870 N1 C B1399 -854.708 -35.225 167.251 1.00855.43 N ATOM 28871 C2 C B1399 -855.001 -34.846 168.570 1.00855.43 C ATOM 28872 O2 C B1399 -854.206 -35.156 169.475 1.00855.43 O ATOM 28873 N3 C B1399 -856.134 -34.159 168.829 1.00855.43 N ATOM 28874 C4 C B1399 -856.961 -33.841 167.832 1.00855.43 C ATOM 28875 N4 C B1399 -858.076 -33.168 168.136 1.00855.43 N ATOM 28876 C5 C B1399 -856.682 -34.197 166.476 1.00855.43 C ATOM 28877 C6 C B1399 -855.553 -34.879 166.235 1.00855.43 C ATOM 28878 P A B1400 -854.164 -39.416 163.748 1.00855.43 P ATOM 28879 O1P A B1400 -853.432 -40.503 163.044 1.00855.43 O ATOM 28880 O2P A B1400 -855.212 -38.654 163.024 1.00855.43 O ATOM 28881 O5* A B1400 -854.811 -40.029 165.065 1.00855.43 O ATOM 28882 C5* A B1400 -854.199 -41.123 165.740 1.00855.43 C ATOM 28883 C4* A B1400 -854.978 -41.470 166.986 1.00855.43 C ATOM 28884 O4* A B1400 -855.124 -40.301 167.832 1.00855.43 O ATOM 28885 C3* A B1400 -856.403 -41.986 166.787 1.00855.43 C ATOM 28886 O3* A B1400 -856.451 -43.373 166.464 1.00855.43 O ATOM 28887 C2* A B1400 -857.063 -41.660 168.120 1.00855.43 C ATOM 28888 O2* A B1400 -856.802 -42.633 169.113 1.00855.43 O ATOM 28889 C1* A B1400 -856.372 -40.344 168.497 1.00855.43 C ATOM 28890 N9 A B1400 -857.132 -39.154 168.113 1.00855.43 N ATOM 28891 C8 A B1400 -857.084 -38.487 166.914 1.00855.43 C ATOM 28892 N7 A B1400 -857.873 -37.444 166.857 1.00855.43 N ATOM 28893 C5 A B1400 -858.491 -37.424 168.101 1.00855.43 C ATOM 28894 C6 A B1400 -859.441 -36.559 168.670 1.00855.43 C ATOM 28895 N6 A B1400 -859.959 -35.504 168.034 1.00855.43 N ATOM 28896 N1 A B1400 -859.848 -36.817 169.931 1.00855.43 N ATOM 28897 C2 A B1400 -859.329 -37.874 170.568 1.00855.43 C ATOM 28898 N3 A B1400 -858.429 -38.759 170.140 1.00855.43 N ATOM 28899 C4 A B1400 -858.043 -38.473 168.883 1.00855.43 C ATOM 28900 P G B1401 -857.834 -44.024 165.975 1.00855.43 P ATOM 28901 O1P G B1401 -857.520 -45.344 165.376 1.00855.43 O ATOM 28902 O2P G B1401 -858.574 -43.013 165.181 1.00855.43 O ATOM 28903 O5* G B1401 -858.623 -44.266 167.337 1.00855.43 O ATOM 28904 C5* G B1401 -860.038 -44.406 167.354 1.00855.43 C ATOM 28905 C4* G B1401 -860.564 -44.124 168.738 1.00855.43 C ATOM 28906 O4* G B1401 -859.929 -42.933 169.270 1.00855.43 O ATOM 28907 C3* G B1401 -862.060 -43.863 168.839 1.00855.43 C ATOM 28908 O3* G B1401 -862.818 -45.060 168.941 1.00855.43 O ATOM 28909 C2* G B1401 -862.168 -42.986 170.079 1.00855.43 C ATOM 28910 O2* G B1401 -862.179 -43.727 171.281 1.00855.43 O ATOM 28911 C1* G B1401 -860.879 -42.164 169.986 1.00855.43 C ATOM 28912 N9 G B1401 -861.105 -40.924 169.252 1.00855.43 N ATOM 28913 C8 G B1401 -860.564 -40.555 168.044 1.00855.43 C ATOM 28914 N7 G B1401 -860.995 -39.396 167.624 1.00855.43 N ATOM 28915 C5 G B1401 -861.866 -38.973 168.618 1.00855.43 C ATOM 28916 C6 G B1401 -862.645 -37.792 168.716 1.00855.43 C ATOM 28917 O6 G B1401 -862.724 -36.852 167.915 1.00855.43 O ATOM 28918 N1 G B1401 -863.382 -37.766 169.894 1.00855.43 N ATOM 28919 C2 G B1401 -863.380 -38.751 170.853 1.00855.43 C ATOM 28920 N2 G B1401 -864.160 -38.539 171.925 1.00855.43 N ATOM 28921 N3 G B1401 -862.664 -39.855 170.771 1.00855.43 N ATOM 28922 C4 G B1401 -861.938 -39.901 169.636 1.00855.43 C ATOM 28923 P G B1402 -864.386 -45.034 168.600 1.00855.43 P ATOM 28924 O1P G B1402 -864.858 -46.439 168.552 1.00855.43 O ATOM 28925 O2P G B1402 -864.585 -44.153 167.418 1.00855.43 O ATOM 28926 O5* G B1402 -865.043 -44.326 169.866 1.00855.43 O ATOM 28927 C5* G B1402 -866.128 -44.933 170.561 1.00855.43 C ATOM 28928 C4* G B1402 -867.281 -43.966 170.688 1.00855.43 C ATOM 28929 O4* G B1402 -866.784 -42.666 171.089 1.00855.43 O ATOM 28930 C3* G B1402 -868.086 -43.727 169.386 1.00855.43 C ATOM 28931 O3* G B1402 -869.143 -44.645 169.126 1.00855.43 O ATOM 28932 C2* G B1402 -868.603 -42.305 169.587 1.00855.43 C ATOM 28933 O2* G B1402 -869.769 -42.260 170.384 1.00855.43 O ATOM 28934 C1* G B1402 -867.442 -41.654 170.344 1.00855.43 C ATOM 28935 N9 G B1402 -866.464 -41.036 169.453 1.00855.43 N ATOM 28936 C8 G B1402 -865.120 -41.306 169.378 1.00855.43 C ATOM 28937 N7 G B1402 -864.503 -40.595 168.474 1.00855.43 N ATOM 28938 C5 G B1402 -865.499 -39.806 167.919 1.00855.43 C ATOM 28939 C6 G B1402 -865.433 -38.831 166.889 1.00855.43 C ATOM 28940 O6 G B1402 -864.450 -38.458 166.240 1.00855.43 O ATOM 28941 N1 G B1402 -866.680 -38.268 166.638 1.00855.43 N ATOM 28942 C2 G B1402 -867.842 -38.600 167.290 1.00855.43 C ATOM 28943 N2 G B1402 -868.946 -37.944 166.902 1.00855.43 N ATOM 28944 N3 G B1402 -867.918 -39.504 168.252 1.00855.43 N ATOM 28945 C4 G B1402 -866.717 -40.064 168.512 1.00855.43 C ATOM 28946 P U B1403 -869.166 -45.461 167.741 1.00855.43 P ATOM 28947 O1P U B1403 -870.083 -46.617 167.919 1.00855.43 O ATOM 28948 O2P U B1403 -867.764 -45.698 167.314 1.00855.43 O ATOM 28949 O5* U B1403 -869.837 -44.454 166.704 1.00855.43 O ATOM 28950 C5* U B1403 -871.254 -44.373 166.570 1.00855.43 C ATOM 28951 C4* U B1403 -871.612 -43.632 165.304 1.00855.43 C ATOM 28952 O4* U B1403 -870.814 -42.424 165.228 1.00855.43 O ATOM 28953 C3* U B1403 -871.306 -44.267 163.961 1.00855.43 C ATOM 28954 O3* U B1403 -872.361 -45.167 163.637 1.00855.43 O ATOM 28955 C2* U B1403 -871.234 -43.099 162.983 1.00855.43 C ATOM 28956 O2* U B1403 -872.497 -42.777 162.429 1.00855.43 O ATOM 28957 C1* U B1403 -870.771 -41.959 163.890 1.00855.43 C ATOM 28958 N1 U B1403 -869.402 -41.504 163.601 1.00855.43 N ATOM 28959 C2 U B1403 -869.224 -40.641 162.535 1.00855.43 C ATOM 28960 O2 U B1403 -870.136 -40.272 161.836 1.00855.43 O ATOM 28961 N3 U B1403 -867.928 -40.239 162.318 1.00855.43 N ATOM 28962 C4 U B1403 -866.814 -40.618 163.049 1.00855.43 C ATOM 28963 O4 U B1403 -865.703 -40.193 162.725 1.00855.43 O ATOM 28964 C5 U B1403 -867.083 -41.518 164.132 1.00855.43 C ATOM 28965 C6 U B1403 -868.337 -41.919 164.366 1.00855.43 C ATOM 28966 P C B1404 -872.126 -46.293 162.512 1.00855.43 P ATOM 28967 O1P C B1404 -871.743 -47.543 163.217 1.00855.43 O ATOM 28968 O2P C B1404 -871.227 -45.734 161.476 1.00855.43 O ATOM 28969 O5* C B1404 -873.564 -46.515 161.863 1.00855.43 O ATOM 28970 C5* C B1404 -874.627 -47.105 162.610 1.00855.43 C ATOM 28971 C4* C B1404 -875.924 -46.373 162.347 1.00855.43 C ATOM 28972 O4* C B1404 -875.663 -44.948 162.360 1.00855.43 O ATOM 28973 C3* C B1404 -876.644 -46.633 161.025 1.00855.43 C ATOM 28974 O3* C B1404 -877.512 -47.758 161.126 1.00855.43 O ATOM 28975 C2* C B1404 -877.445 -45.349 160.827 1.00855.43 C ATOM 28976 O2* C B1404 -878.671 -45.362 161.532 1.00855.43 O ATOM 28977 C1* C B1404 -876.523 -44.298 161.443 1.00855.43 C ATOM 28978 N1 C B1404 -875.693 -43.590 160.457 1.00855.43 N ATOM 28979 C2 C B1404 -876.265 -42.549 159.718 1.00855.43 C ATOM 28980 O2 C B1404 -877.451 -42.252 159.926 1.00855.43 O ATOM 28981 N3 C B1404 -875.512 -41.898 158.801 1.00855.43 N ATOM 28982 C4 C B1404 -874.242 -42.251 158.611 1.00855.43 C ATOM 28983 N4 C B1404 -873.537 -41.585 157.693 1.00855.43 N ATOM 28984 C5 C B1404 -873.631 -43.305 159.352 1.00855.43 C ATOM 28985 C6 C B1404 -874.387 -43.940 160.254 1.00855.43 C ATOM 28986 P A B1405 -878.477 -48.145 159.899 1.00855.43 P ATOM 28987 O1P A B1405 -879.650 -47.234 159.964 1.00855.43 O ATOM 28988 O2P A B1405 -878.691 -49.614 159.914 1.00855.43 O ATOM 28989 O5* A B1405 -877.646 -47.771 158.591 1.00855.43 O ATOM 28990 C5* A B1405 -877.347 -48.767 157.613 1.00855.43 C ATOM 28991 C4* A B1405 -877.221 -48.145 156.242 1.00855.43 C ATOM 28992 O4* A B1405 -878.484 -47.553 155.848 1.00855.43 O ATOM 28993 C3* A B1405 -876.267 -46.975 156.105 1.00855.43 C ATOM 28994 O3* A B1405 -874.933 -47.447 155.962 1.00855.43 O ATOM 28995 C2* A B1405 -876.754 -46.237 154.862 1.00855.43 C ATOM 28996 O2* A B1405 -876.189 -46.749 153.671 1.00855.43 O ATOM 28997 C1* A B1405 -878.258 -46.541 154.884 1.00855.43 C ATOM 28998 N9 A B1405 -879.079 -45.386 155.237 1.00855.43 N ATOM 28999 C8 A B1405 -879.180 -44.774 156.460 1.00855.43 C ATOM 29000 N7 A B1405 -880.004 -43.754 156.476 1.00855.43 N ATOM 29001 C5 A B1405 -880.480 -43.690 155.173 1.00855.43 C ATOM 29002 C6 A B1405 -881.390 -42.828 154.540 1.00855.43 C ATOM 29003 N6 A B1405 -882.011 -41.823 155.161 1.00855.43 N ATOM 29004 N1 A B1405 -881.642 -43.034 153.231 1.00855.43 N ATOM 29005 C2 A B1405 -881.018 -44.045 152.609 1.00855.43 C ATOM 29006 N3 A B1405 -880.145 -44.922 153.094 1.00855.43 N ATOM 29007 C4 A B1405 -879.915 -44.687 154.399 1.00855.43 C ATOM 29008 P A B1406 -873.731 -46.692 156.715 1.00855.43 P ATOM 29009 O1P A B1406 -872.746 -47.721 157.127 1.00855.43 O ATOM 29010 O2P A B1406 -874.324 -45.792 157.739 1.00855.43 O ATOM 29011 O5* A B1406 -873.068 -45.791 155.579 1.00855.43 O ATOM 29012 C5* A B1406 -872.519 -46.387 154.408 1.00855.43 C ATOM 29013 C4* A B1406 -872.598 -45.430 153.241 1.00855.43 C ATOM 29014 O4* A B1406 -873.979 -45.043 153.023 1.00855.43 O ATOM 29015 C3* A B1406 -871.853 -44.131 153.421 1.00855.43 C ATOM 29016 O3* A B1406 -870.492 -44.303 153.026 1.00855.43 O ATOM 29017 C2* A B1406 -872.601 -43.168 152.508 1.00855.43 C ATOM 29018 O2* A B1406 -872.169 -43.245 151.162 1.00855.43 O ATOM 29019 C1* A B1406 -874.038 -43.691 152.610 1.00855.43 C ATOM 29020 N9 A B1406 -874.840 -42.947 153.584 1.00855.43 N ATOM 29021 C8 A B1406 -874.454 -42.494 154.820 1.00855.43 C ATOM 29022 N7 A B1406 -875.394 -41.843 155.461 1.00855.43 N ATOM 29023 C5 A B1406 -876.473 -41.873 154.589 1.00855.43 C ATOM 29024 C6 A B1406 -877.776 -41.356 154.679 1.00855.43 C ATOM 29025 N6 A B1406 -878.232 -40.674 155.733 1.00855.43 N ATOM 29026 N1 A B1406 -878.605 -41.563 153.636 1.00855.43 N ATOM 29027 C2 A B1406 -878.149 -42.245 152.577 1.00855.43 C ATOM 29028 N3 A B1406 -876.947 -42.778 152.374 1.00855.43 N ATOM 29029 C4 A B1406 -876.146 -42.555 153.430 1.00855.43 C ATOM 29030 P G B1407 -869.369 -43.297 153.578 1.00855.43 P ATOM 29031 O1P G B1407 -868.200 -43.383 152.670 1.00855.43 O ATOM 29032 O2P G B1407 -869.190 -43.558 155.030 1.00855.43 O ATOM 29033 O5* G B1407 -870.016 -41.850 153.415 1.00855.43 O ATOM 29034 C5* G B1407 -869.664 -40.998 152.329 1.00855.43 C ATOM 29035 C4* G B1407 -869.118 -39.691 152.856 1.00855.43 C ATOM 29036 O4* G B1407 -870.168 -38.997 153.565 1.00855.43 O ATOM 29037 C3* G B1407 -867.982 -39.855 153.873 1.00855.43 C ATOM 29038 O3* G B1407 -866.683 -39.959 153.288 1.00855.43 O ATOM 29039 C2* G B1407 -868.123 -38.605 154.737 1.00855.43 C ATOM 29040 O2* G B1407 -867.467 -37.489 154.178 1.00855.43 O ATOM 29041 C1* G B1407 -869.635 -38.360 154.710 1.00855.43 C ATOM 29042 N9 G B1407 -870.376 -38.844 155.871 1.00855.43 N ATOM 29043 C8 G B1407 -870.304 -40.093 156.436 1.00855.43 C ATOM 29044 N7 G B1407 -871.122 -40.251 157.441 1.00855.43 N ATOM 29045 C5 G B1407 -871.768 -39.026 157.553 1.00855.43 C ATOM 29046 C6 G B1407 -872.771 -38.597 158.461 1.00855.43 C ATOM 29047 O6 G B1407 -873.313 -39.233 159.372 1.00855.43 O ATOM 29048 N1 G B1407 -873.138 -37.277 158.224 1.00855.43 N ATOM 29049 C2 G B1407 -872.610 -36.475 157.244 1.00855.43 C ATOM 29050 N2 G B1407 -873.085 -35.222 157.184 1.00855.43 N ATOM 29051 N3 G B1407 -871.683 -36.864 156.387 1.00855.43 N ATOM 29052 C4 G B1407 -871.310 -38.145 156.598 1.00855.43 C ATOM 29053 P A B1408 -865.608 -40.997 153.882 1.00855.43 P ATOM 29054 O1P A B1408 -864.517 -41.109 152.880 1.00855.43 O ATOM 29055 O2P A B1408 -866.320 -42.221 154.331 1.00855.43 O ATOM 29056 O5* A B1408 -865.019 -40.258 155.165 1.00855.43 O ATOM 29057 C5* A B1408 -863.720 -39.667 155.139 1.00855.43 C ATOM 29058 C4* A B1408 -863.770 -38.291 155.750 1.00855.43 C ATOM 29059 O4* A B1408 -865.154 -37.888 155.881 1.00855.43 O ATOM 29060 C3* A B1408 -863.217 -38.126 157.163 1.00855.43 C ATOM 29061 O3* A B1408 -861.801 -37.982 157.178 1.00855.43 O ATOM 29062 C2* A B1408 -863.934 -36.878 157.666 1.00855.43 C ATOM 29063 O2* A B1408 -863.309 -35.685 157.240 1.00855.43 O ATOM 29064 C1* A B1408 -865.297 -37.014 156.988 1.00855.43 C ATOM 29065 N9 A B1408 -866.340 -37.548 157.862 1.00855.43 N ATOM 29066 C8 A B1408 -866.452 -38.800 158.424 1.00855.43 C ATOM 29067 N7 A B1408 -867.538 -38.961 159.148 1.00855.43 N ATOM 29068 C5 A B1408 -868.186 -37.736 159.047 1.00855.43 C ATOM 29069 C6 A B1408 -869.402 -37.263 159.559 1.00855.43 C ATOM 29070 N6 A B1408 -870.246 -38.006 160.274 1.00855.43 N ATOM 29071 N1 A B1408 -869.739 -35.981 159.300 1.00855.43 N ATOM 29072 C2 A B1408 -868.915 -35.244 158.547 1.00855.43 C ATOM 29073 N3 A B1408 -867.762 -35.580 157.984 1.00855.43 N ATOM 29074 C4 A B1408 -867.450 -36.854 158.276 1.00855.43 C ATOM 29075 P U B1409 -860.956 -38.544 158.422 1.00855.43 P ATOM 29076 O1P U B1409 -859.704 -39.130 157.883 1.00855.43 O ATOM 29077 O2P U B1409 -861.856 -39.378 159.260 1.00855.43 O ATOM 29078 O5* U B1409 -860.576 -37.234 159.251 1.00855.43 O ATOM 29079 C5* U B1409 -860.302 -37.297 160.649 1.00855.43 C ATOM 29080 C4* U B1409 -860.024 -35.913 161.183 1.00855.43 C ATOM 29081 O4* U B1409 -858.710 -35.495 160.729 1.00855.43 O ATOM 29082 C3* U B1409 -860.894 -34.757 160.714 1.00855.43 C ATOM 29083 O3* U B1409 -862.097 -34.699 161.471 1.00855.43 O ATOM 29084 C2* U B1409 -860.029 -33.518 160.934 1.00855.43 C ATOM 29085 O2* U B1409 -860.169 -32.981 162.234 1.00855.43 O ATOM 29086 C1* U B1409 -858.615 -34.083 160.769 1.00855.43 C ATOM 29087 N1 U B1409 -857.945 -33.648 159.534 1.00855.43 N ATOM 29088 C2 U B1409 -857.194 -32.492 159.577 1.00855.43 C ATOM 29089 O2 U B1409 -857.070 -31.818 160.586 1.00855.43 O ATOM 29090 N3 U B1409 -856.592 -32.149 158.390 1.00855.43 N ATOM 29091 C4 U B1409 -856.665 -32.833 157.194 1.00855.43 C ATOM 29092 O4 U B1409 -856.061 -32.403 156.211 1.00855.43 O ATOM 29093 C5 U B1409 -857.463 -34.019 157.232 1.00855.43 C ATOM 29094 C6 U B1409 -858.060 -34.377 158.373 1.00855.43 C ATOM 29095 P U B1410 -863.513 -34.520 160.721 1.00855.43 P ATOM 29096 O1P U B1410 -864.206 -35.831 160.788 1.00855.43 O ATOM 29097 O2P U B1410 -863.265 -33.889 159.400 1.00855.43 O ATOM 29098 O5* U B1410 -864.324 -33.492 161.627 1.00855.43 O ATOM 29099 C5* U B1410 -863.652 -32.429 162.299 1.00855.43 C ATOM 29100 C4* U B1410 -864.316 -31.109 161.994 1.00855.43 C ATOM 29101 O4* U B1410 -864.231 -30.829 160.579 1.00855.43 O ATOM 29102 C3* U B1410 -865.792 -30.984 162.366 1.00855.43 C ATOM 29103 O3* U B1410 -865.878 -30.646 163.757 1.00855.43 O ATOM 29104 C2* U B1410 -866.301 -29.924 161.382 1.00855.43 C ATOM 29105 O2* U B1410 -866.081 -28.596 161.817 1.00855.43 O ATOM 29106 C1* U B1410 -865.402 -30.158 160.158 1.00855.43 C ATOM 29107 N1 U B1410 -865.962 -30.880 159.005 1.00855.43 N ATOM 29108 C2 U B1410 -866.714 -30.168 158.086 1.00855.43 C ATOM 29109 O2 U B1410 -866.982 -28.992 158.216 1.00855.43 O ATOM 29110 N3 U B1410 -867.139 -30.896 157.002 1.00855.43 N ATOM 29111 C4 U B1410 -866.904 -32.234 156.752 1.00855.43 C ATOM 29112 O4 U B1410 -867.288 -32.726 155.690 1.00855.43 O ATOM 29113 C5 U B1410 -866.149 -32.903 157.763 1.00855.43 C ATOM 29114 C6 U B1410 -865.716 -32.222 158.828 1.00855.43 C ATOM 29115 P C B1411 -867.298 -30.313 164.449 1.00855.43 P ATOM 29116 O1P C B1411 -867.927 -29.193 163.707 1.00855.43 O ATOM 29117 O2P C B1411 -867.035 -30.159 165.903 1.00855.43 O ATOM 29118 O5* C B1411 -868.201 -31.609 164.266 1.00855.43 O ATOM 29119 C5* C B1411 -869.622 -31.489 164.218 1.00855.43 C ATOM 29120 C4* C B1411 -870.279 -32.800 164.586 1.00855.43 C ATOM 29121 O4* C B1411 -869.864 -33.821 163.648 1.00855.43 O ATOM 29122 C3* C B1411 -869.951 -33.389 165.938 1.00855.43 C ATOM 29123 O3* C B1411 -870.796 -32.811 166.930 1.00855.43 O ATOM 29124 C2* C B1411 -870.249 -34.872 165.746 1.00855.43 C ATOM 29125 O2* C B1411 -871.618 -35.181 165.919 1.00855.43 O ATOM 29126 C1* C B1411 -869.855 -35.084 164.285 1.00855.43 C ATOM 29127 N1 C B1411 -868.506 -35.653 164.151 1.00855.43 N ATOM 29128 C2 C B1411 -868.366 -37.037 164.022 1.00855.43 C ATOM 29129 O2 C B1411 -869.385 -37.747 164.018 1.00855.43 O ATOM 29130 N3 C B1411 -867.127 -37.569 163.904 1.00855.43 N ATOM 29131 C4 C B1411 -866.057 -36.770 163.910 1.00855.43 C ATOM 29132 N4 C B1411 -864.855 -37.339 163.793 1.00855.43 N ATOM 29133 C5 C B1411 -866.173 -35.357 164.039 1.00855.43 C ATOM 29134 C6 C B1411 -867.403 -34.846 164.153 1.00855.43 C ATOM 29135 P C B1412 -869.870 -33.363 168.194 1.00851.72 P ATOM 29136 O1P C B1412 -870.987 -32.495 168.641 1.00851.72 O ATOM 29137 O2P C B1412 -868.664 -32.748 167.585 1.00851.72 O ATOM 29138 O5* C B1412 -869.401 -34.242 169.439 1.00851.72 O ATOM 29139 C5* C B1412 -870.208 -34.335 170.609 1.00851.72 C ATOM 29140 C4* C B1412 -869.529 -35.206 171.645 1.00851.72 C ATOM 29141 O4* C B1412 -869.280 -36.518 171.078 1.00851.72 O ATOM 29142 C3* C B1412 -868.163 -34.713 172.101 1.00851.72 C ATOM 29143 O3* C B1412 -868.237 -33.753 173.147 1.00851.72 O ATOM 29144 C2* C B1412 -867.473 -35.999 172.538 1.00851.72 C ATOM 29145 O2* C B1412 -867.840 -36.397 173.843 1.00851.72 O ATOM 29146 C1* C B1412 -868.019 -36.997 171.521 1.00851.72 C ATOM 29147 N1 C B1412 -867.132 -37.101 170.352 1.00851.72 N ATOM 29148 C2 C B1412 -866.207 -38.140 170.300 1.00851.72 C ATOM 29149 O2 C B1412 -866.175 -38.961 171.232 1.00851.72 O ATOM 29150 N3 C B1412 -865.368 -38.232 169.242 1.00851.72 N ATOM 29151 C4 C B1412 -865.437 -37.329 168.261 1.00851.72 C ATOM 29152 N4 C B1412 -864.587 -37.451 167.239 1.00851.72 N ATOM 29153 C5 C B1412 -866.377 -36.259 168.283 1.00851.72 C ATOM 29154 C6 C B1412 -867.199 -36.186 169.337 1.00851.72 C ATOM 29155 P U B1413 -867.025 -32.713 173.346 1.00851.72 P ATOM 29156 O1P U B1413 -867.479 -31.677 174.310 1.00851.72 O ATOM 29157 O2P U B1413 -866.551 -32.304 171.999 1.00851.72 O ATOM 29158 O5* U B1413 -865.878 -33.575 174.035 1.00851.72 O ATOM 29159 C5* U B1413 -866.067 -34.146 175.327 1.00851.72 C ATOM 29160 C4* U B1413 -865.008 -35.188 175.602 1.00851.72 C ATOM 29161 O4* U B1413 -865.020 -36.177 174.542 1.00851.72 O ATOM 29162 C3* U B1413 -863.557 -34.724 175.674 1.00851.72 C ATOM 29163 O3* U B1413 -863.239 -34.232 176.973 1.00851.72 O ATOM 29164 C2* U B1413 -862.782 -35.999 175.346 1.00851.72 C ATOM 29165 O2* U B1413 -862.598 -36.828 176.476 1.00851.72 O ATOM 29166 C1* U B1413 -863.715 -36.692 174.352 1.00851.72 C ATOM 29167 N1 U B1413 -863.335 -36.483 172.947 1.00851.72 N ATOM 29168 C2 U B1413 -862.343 -37.288 172.425 1.00851.72 C ATOM 29169 O2 U B1413 -861.780 -38.150 173.076 1.00851.72 O ATOM 29170 N3 U B1413 -862.034 -37.049 171.107 1.00851.72 N ATOM 29171 C4 U B1413 -862.609 -36.104 170.279 1.00851.72 C ATOM 29172 O4 U B1413 -862.225 -36.012 169.111 1.00851.72 O ATOM 29173 C5 U B1413 -863.626 -35.312 170.895 1.00851.72 C ATOM 29174 C6 U B1413 -863.947 -35.521 172.177 1.00851.72 C ATOM 29175 P G B1414 -862.333 -32.910 177.124 1.00851.72 P ATOM 29176 O1P G B1414 -862.711 -32.266 178.407 1.00851.72 O ATOM 29177 O2P G B1414 -862.424 -32.136 175.859 1.00851.72 O ATOM 29178 O5* G B1414 -860.848 -33.467 177.264 1.00851.72 O ATOM 29179 C5* G B1414 -860.173 -33.438 178.518 1.00851.72 C ATOM 29180 C4* G B1414 -858.734 -33.863 178.348 1.00851.72 C ATOM 29181 O4* G B1414 -858.679 -35.172 177.720 1.00851.72 O ATOM 29182 C3* G B1414 -857.869 -32.956 177.469 1.00851.72 C ATOM 29183 O3* G B1414 -857.309 -31.867 178.193 1.00851.72 O ATOM 29184 C2* G B1414 -856.808 -33.917 176.943 1.00851.72 C ATOM 29185 O2* G B1414 -855.752 -34.115 177.865 1.00851.72 O ATOM 29186 C1* G B1414 -857.608 -35.214 176.791 1.00851.72 C ATOM 29187 N9 G B1414 -858.179 -35.358 175.456 1.00851.72 N ATOM 29188 C8 G B1414 -859.493 -35.172 175.100 1.00851.72 C ATOM 29189 N7 G B1414 -859.712 -35.355 173.828 1.00851.72 N ATOM 29190 C5 G B1414 -858.469 -35.686 173.305 1.00851.72 C ATOM 29191 C6 G B1414 -858.085 -35.993 171.973 1.00851.72 C ATOM 29192 O6 G B1414 -858.785 -36.030 170.952 1.00851.72 O ATOM 29193 N1 G B1414 -856.723 -36.275 171.885 1.00851.72 N ATOM 29194 C2 G B1414 -855.846 -36.260 172.942 1.00851.72 C ATOM 29195 N2 G B1414 -854.574 -36.561 172.644 1.00851.72 N ATOM 29196 N3 G B1414 -856.194 -35.976 174.191 1.00851.72 N ATOM 29197 C4 G B1414 -857.509 -35.699 174.298 1.00851.72 C ATOM 29198 P C B1415 -857.344 -30.390 177.558 1.00851.72 P ATOM 29199 O1P C B1415 -856.552 -29.504 178.450 1.00851.72 O ATOM 29200 O2P C B1415 -858.753 -30.046 177.246 1.00851.72 O ATOM 29201 O5* C B1415 -856.551 -30.544 176.185 1.00851.72 O ATOM 29202 C5* C B1415 -855.169 -30.876 176.179 1.00851.72 C ATOM 29203 C4* C B1415 -854.643 -30.955 174.767 1.00851.72 C ATOM 29204 O4* C B1415 -855.530 -31.784 173.968 1.00851.72 O ATOM 29205 C3* C B1415 -854.592 -29.702 173.901 1.00851.72 C ATOM 29206 O3* C B1415 -853.464 -28.902 174.228 1.00851.72 O ATOM 29207 C2* C B1415 -854.512 -30.233 172.478 1.00851.72 C ATOM 29208 O2* C B1415 -853.186 -30.509 172.076 1.00851.72 O ATOM 29209 C1* C B1415 -855.304 -31.535 172.590 1.00851.72 C ATOM 29210 N1 C B1415 -856.602 -31.410 171.910 1.00851.72 N ATOM 29211 C2 C B1415 -856.654 -31.593 170.526 1.00851.72 C ATOM 29212 O2 C B1415 -855.622 -31.924 169.928 1.00851.72 O ATOM 29213 N3 C B1415 -857.829 -31.408 169.877 1.00851.72 N ATOM 29214 C4 C B1415 -858.921 -31.064 170.565 1.00851.72 C ATOM 29215 N4 C B1415 -860.050 -30.864 169.875 1.00851.72 N ATOM 29216 C5 C B1415 -858.904 -30.905 171.981 1.00851.72 C ATOM 29217 C6 C B1415 -857.733 -31.088 172.608 1.00851.72 C ATOM 29218 P A B1416 -853.403 -27.377 173.723 1.00851.72 P ATOM 29219 O1P A B1416 -852.394 -26.672 174.550 1.00851.72 O ATOM 29220 O2P A B1416 -854.794 -26.858 173.658 1.00851.72 O ATOM 29221 O5* A B1416 -852.842 -27.486 172.234 1.00851.72 O ATOM 29222 C5* A B1416 -851.535 -27.993 171.995 1.00851.72 C ATOM 29223 C4* A B1416 -850.996 -27.515 170.664 1.00851.72 C ATOM 29224 O4* A B1416 -851.827 -27.990 169.570 1.00851.72 O ATOM 29225 C3* A B1416 -850.922 -26.017 170.470 1.00851.72 C ATOM 29226 O3* A B1416 -849.735 -25.478 171.044 1.00851.72 O ATOM 29227 C2* A B1416 -850.901 -25.881 168.951 1.00851.72 C ATOM 29228 O2* A B1416 -849.608 -26.072 168.409 1.00851.72 O ATOM 29229 C1* A B1416 -851.798 -27.040 168.516 1.00851.72 C ATOM 29230 N9 A B1416 -853.155 -26.577 168.236 1.00851.72 N ATOM 29231 C8 A B1416 -853.920 -25.642 168.889 1.00851.72 C ATOM 29232 N7 A B1416 -855.100 -25.451 168.343 1.00851.72 N ATOM 29233 C5 A B1416 -855.114 -26.321 167.262 1.00851.72 C ATOM 29234 C6 A B1416 -856.083 -26.601 166.278 1.00851.72 C ATOM 29235 N6 A B1416 -857.273 -26.003 166.215 1.00851.72 N ATOM 29236 N1 A B1416 -855.779 -27.530 165.345 1.00851.72 N ATOM 29237 C2 A B1416 -854.585 -28.132 165.402 1.00851.72 C ATOM 29238 N3 A B1416 -853.596 -27.954 166.273 1.00851.72 N ATOM 29239 C4 A B1416 -853.927 -27.025 167.188 1.00851.72 C ATOM 29240 P C B1417 -849.813 -24.114 171.891 1.00851.72 P ATOM 29241 O1P C B1417 -848.628 -23.297 171.529 1.00851.72 O ATOM 29242 O2P C B1417 -850.058 -24.463 173.314 1.00851.72 O ATOM 29243 O5* C B1417 -851.113 -23.379 171.329 1.00851.72 O ATOM 29244 C5* C B1417 -851.049 -22.024 170.896 1.00851.72 C ATOM 29245 C4* C B1417 -851.281 -21.930 169.404 1.00851.72 C ATOM 29246 O4* C B1417 -852.526 -22.590 169.056 1.00851.72 O ATOM 29247 C3* C B1417 -851.480 -20.549 168.820 1.00851.72 C ATOM 29248 O3* C B1417 -850.205 -19.966 168.589 1.00851.72 O ATOM 29249 C2* C B1417 -852.216 -20.802 167.506 1.00851.72 C ATOM 29250 O2* C B1417 -851.340 -21.067 166.433 1.00851.72 O ATOM 29251 C1* C B1417 -853.017 -22.066 167.832 1.00851.72 C ATOM 29252 N1 C B1417 -854.461 -21.807 167.969 1.00851.72 N ATOM 29253 C2 C B1417 -855.324 -22.322 166.997 1.00851.72 C ATOM 29254 O2 C B1417 -854.844 -22.973 166.054 1.00851.72 O ATOM 29255 N3 C B1417 -856.653 -22.097 167.105 1.00851.72 N ATOM 29256 C4 C B1417 -857.127 -21.389 168.131 1.00851.72 C ATOM 29257 N4 C B1417 -858.448 -21.196 168.201 1.00851.72 N ATOM 29258 C5 C B1417 -856.270 -20.850 169.135 1.00851.72 C ATOM 29259 C6 C B1417 -854.955 -21.078 169.014 1.00851.72 C ATOM 29260 P C B1418 -850.108 -18.436 168.106 1.00851.72 P ATOM 29261 O1P C B1418 -848.970 -17.816 168.827 1.00851.72 O ATOM 29262 O2P C B1418 -851.460 -17.827 168.203 1.00851.72 O ATOM 29263 O5* C B1418 -849.718 -18.544 166.565 1.00851.72 O ATOM 29264 C5* C B1418 -848.390 -18.280 166.130 1.00851.72 C ATOM 29265 C4* C B1418 -848.388 -17.780 164.705 1.00851.72 C ATOM 29266 O4* C B1418 -848.752 -18.851 163.801 1.00851.72 O ATOM 29267 C3* C B1418 -849.376 -16.686 164.436 1.00851.72 C ATOM 29268 O3* C B1418 -848.761 -15.444 164.755 1.00851.72 O ATOM 29269 C2* C B1418 -849.668 -16.818 162.948 1.00851.72 C ATOM 29270 O2* C B1418 -848.727 -16.126 162.146 1.00851.72 O ATOM 29271 C1* C B1418 -849.514 -18.325 162.725 1.00851.72 C ATOM 29272 N1 C B1418 -850.801 -19.033 162.667 1.00851.72 N ATOM 29273 C2 C B1418 -851.549 -18.958 161.490 1.00851.72 C ATOM 29274 O2 C B1418 -851.099 -18.306 160.539 1.00851.72 O ATOM 29275 N3 C B1418 -852.740 -19.594 161.421 1.00851.72 N ATOM 29276 C4 C B1418 -853.187 -20.290 162.467 1.00851.72 C ATOM 29277 N4 C B1418 -854.372 -20.899 162.353 1.00851.72 N ATOM 29278 C5 C B1418 -852.442 -20.384 163.679 1.00851.72 C ATOM 29279 C6 C B1418 -851.265 -19.751 163.735 1.00851.72 C ATOM 29280 P G B1419 -848.913 -14.845 166.236 1.00851.72 P ATOM 29281 O1P G B1419 -847.541 -14.708 166.796 1.00851.72 O ATOM 29282 O2P G B1419 -849.926 -15.647 166.967 1.00851.72 O ATOM 29283 O5* G B1419 -849.503 -13.383 165.997 1.00851.72 O ATOM 29284 C5* G B1419 -848.904 -12.515 165.045 1.00851.72 C ATOM 29285 C4* G B1419 -849.782 -12.365 163.824 1.00851.72 C ATOM 29286 O4* G B1419 -850.111 -13.671 163.267 1.00851.72 O ATOM 29287 C3* G B1419 -851.121 -11.691 164.021 1.00851.72 C ATOM 29288 O3* G B1419 -850.989 -10.277 164.008 1.00851.72 O ATOM 29289 C2* G B1419 -851.922 -12.190 162.824 1.00851.72 C ATOM 29290 O2* G B1419 -851.648 -11.455 161.646 1.00851.72 O ATOM 29291 C1* G B1419 -851.400 -13.622 162.673 1.00851.72 C ATOM 29292 N9 G B1419 -852.282 -14.579 163.332 1.00851.72 N ATOM 29293 C8 G B1419 -852.258 -14.978 164.648 1.00851.72 C ATOM 29294 N7 G B1419 -853.208 -15.827 164.944 1.00851.72 N ATOM 29295 C5 G B1419 -853.900 -16.005 163.750 1.00851.72 C ATOM 29296 C6 G B1419 -855.047 -16.815 163.440 1.00851.72 C ATOM 29297 O6 G B1419 -855.706 -17.563 164.184 1.00851.72 O ATOM 29298 N1 G B1419 -855.406 -16.697 162.104 1.00851.72 N ATOM 29299 C2 G B1419 -854.763 -15.906 161.178 1.00851.72 C ATOM 29300 N2 G B1419 -855.260 -15.924 159.934 1.00851.72 N ATOM 29301 N3 G B1419 -853.709 -15.150 161.450 1.00851.72 N ATOM 29302 C4 G B1419 -853.333 -15.248 162.744 1.00851.72 C ATOM 29303 P A B1420 -852.144 -9.371 164.664 1.00851.72 P ATOM 29304 O1P A B1420 -851.870 -7.958 164.309 1.00851.72 O ATOM 29305 O2P A B1420 -852.272 -9.757 166.092 1.00851.72 O ATOM 29306 O5* A B1420 -853.468 -9.829 163.906 1.00851.72 O ATOM 29307 C5* A B1420 -854.748 -9.401 164.361 1.00851.72 C ATOM 29308 C4* A B1420 -855.812 -10.417 164.014 1.00851.72 C ATOM 29309 O4* A B1420 -855.425 -11.732 164.485 1.00851.72 O ATOM 29310 C3* A B1420 -857.182 -10.183 164.612 1.00851.72 C ATOM 29311 O3* A B1420 -857.926 -9.272 163.808 1.00851.72 O ATOM 29312 C2* A B1420 -857.802 -11.578 164.599 1.00851.72 C ATOM 29313 O2* A B1420 -858.370 -11.908 163.349 1.00851.72 O ATOM 29314 C1* A B1420 -856.580 -12.468 164.847 1.00851.72 C ATOM 29315 N9 A B1420 -856.466 -12.867 166.251 1.00851.72 N ATOM 29316 C8 A B1420 -856.226 -12.074 167.347 1.00851.72 C ATOM 29317 N7 A B1420 -856.196 -12.735 168.478 1.00851.72 N ATOM 29318 C5 A B1420 -856.432 -14.051 168.102 1.00851.72 C ATOM 29319 C6 A B1420 -856.519 -15.243 168.840 1.00851.72 C ATOM 29320 N6 A B1420 -856.379 -15.308 170.166 1.00851.72 N ATOM 29321 N1 A B1420 -856.760 -16.387 168.161 1.00851.72 N ATOM 29322 C2 A B1420 -856.897 -16.323 166.830 1.00851.72 C ATOM 29323 N3 A B1420 -856.834 -15.264 166.027 1.00851.72 N ATOM 29324 C4 A B1420 -856.596 -14.146 166.734 1.00851.72 C ATOM 29325 P U B1421 -858.290 -7.817 164.389 1.00851.72 P ATOM 29326 O1P U B1421 -858.517 -6.919 163.230 1.00851.72 O ATOM 29327 O2P U B1421 -857.275 -7.458 165.409 1.00851.72 O ATOM 29328 O5* U B1421 -859.686 -8.028 165.130 1.00851.72 O ATOM 29329 C5* U B1421 -860.808 -7.205 164.833 1.00851.72 C ATOM 29330 C4* U B1421 -861.818 -7.271 165.954 1.00851.72 C ATOM 29331 O4* U B1421 -862.210 -8.654 166.150 1.00851.72 O ATOM 29332 C3* U B1421 -861.364 -6.799 167.322 1.00851.72 C ATOM 29333 O3* U B1421 -861.541 -5.394 167.446 1.00851.72 O ATOM 29334 C2* U B1421 -862.272 -7.574 168.269 1.00851.72 C ATOM 29335 O2* U B1421 -863.536 -6.959 168.431 1.00851.72 O ATOM 29336 C1* U B1421 -862.435 -8.899 167.527 1.00851.72 C ATOM 29337 N1 U B1421 -861.460 -9.899 167.980 1.00851.72 N ATOM 29338 C2 U B1421 -861.591 -10.386 169.263 1.00851.72 C ATOM 29339 O2 U B1421 -862.485 -10.034 170.012 1.00851.72 O ATOM 29340 N3 U B1421 -860.633 -11.295 169.636 1.00851.72 N ATOM 29341 C4 U B1421 -859.584 -11.759 168.874 1.00851.72 C ATOM 29342 O4 U B1421 -858.782 -12.558 169.368 1.00851.72 O ATOM 29343 C5 U B1421 -859.524 -11.216 167.550 1.00851.72 C ATOM 29344 C6 U B1421 -860.442 -10.327 167.160 1.00851.72 C ATOM 29345 P C B1422 -860.274 -4.456 167.760 1.00851.72 P ATOM 29346 O1P C B1422 -860.280 -3.360 166.756 1.00851.72 O ATOM 29347 O2P C B1422 -859.074 -5.326 167.884 1.00851.72 O ATOM 29348 O5* C B1422 -860.590 -3.823 169.188 1.00851.72 O ATOM 29349 C5* C B1422 -861.899 -3.359 169.497 1.00851.72 C ATOM 29350 C4* C B1422 -862.233 -3.611 170.953 1.00851.72 C ATOM 29351 O4* C B1422 -862.111 -5.025 171.252 1.00851.72 O ATOM 29352 C3* C B1422 -861.330 -2.898 171.945 1.00851.72 C ATOM 29353 O3* C B1422 -861.846 -1.608 172.251 1.00851.72 O ATOM 29354 C2* C B1422 -861.396 -3.804 173.170 1.00851.72 C ATOM 29355 O2* C B1422 -862.521 -3.541 173.983 1.00851.72 O ATOM 29356 C1* C B1422 -861.536 -5.188 172.536 1.00851.72 C ATOM 29357 N1 C B1422 -860.237 -5.864 172.404 1.00851.72 N ATOM 29358 C2 C B1422 -859.738 -6.548 173.512 1.00851.72 C ATOM 29359 O2 C B1422 -860.416 -6.574 174.550 1.00851.72 O ATOM 29360 N3 C B1422 -858.535 -7.158 173.427 1.00851.72 N ATOM 29361 C4 C B1422 -857.838 -7.105 172.292 1.00851.72 C ATOM 29362 N4 C B1422 -856.650 -7.712 172.256 1.00851.72 N ATOM 29363 C5 C B1422 -858.329 -6.424 171.139 1.00851.72 C ATOM 29364 C6 C B1422 -859.526 -5.823 171.237 1.00851.72 C ATOM 29365 P A B1423 -860.870 -0.491 172.872 1.00851.72 P ATOM 29366 O1P A B1423 -861.684 0.722 173.131 1.00851.72 O ATOM 29367 O2P A B1423 -859.665 -0.393 172.004 1.00851.72 O ATOM 29368 O5* A B1423 -860.418 -1.097 174.275 1.00851.72 O ATOM 29369 C5* A B1423 -861.200 -0.882 175.447 1.00851.72 C ATOM 29370 C4* A B1423 -860.667 -1.709 176.596 1.00851.72 C ATOM 29371 O4* A B1423 -860.453 -3.078 176.162 1.00851.72 O ATOM 29372 C3* A B1423 -859.336 -1.300 177.190 1.00851.72 C ATOM 29373 O3* A B1423 -859.530 -0.252 178.132 1.00851.72 O ATOM 29374 C2* A B1423 -858.845 -2.582 177.850 1.00851.72 C ATOM 29375 O2* A B1423 -859.397 -2.779 179.137 1.00851.72 O ATOM 29376 C1* A B1423 -859.380 -3.649 176.892 1.00851.72 C ATOM 29377 N9 A B1423 -858.360 -4.079 175.936 1.00851.72 N ATOM 29378 C8 A B1423 -858.015 -3.484 174.749 1.00851.72 C ATOM 29379 N7 A B1423 -857.041 -4.091 174.117 1.00851.72 N ATOM 29380 C5 A B1423 -856.725 -5.163 174.939 1.00851.72 C ATOM 29381 C6 A B1423 -855.769 -6.190 174.833 1.00851.72 C ATOM 29382 N6 A B1423 -854.920 -6.312 173.812 1.00851.72 N ATOM 29383 N1 A B1423 -855.714 -7.102 175.829 1.00851.72 N ATOM 29384 C2 A B1423 -856.564 -6.979 176.858 1.00851.72 C ATOM 29385 N3 A B1423 -857.502 -6.060 177.069 1.00851.72 N ATOM 29386 C4 A B1423 -857.531 -5.169 176.062 1.00851.72 C ATOM 29387 P U B1424 -858.269 0.612 178.629 1.00851.72 P ATOM 29388 O1P U B1424 -858.797 1.767 179.397 1.00851.72 O ATOM 29389 O2P U B1424 -857.380 0.849 177.462 1.00851.72 O ATOM 29390 O5* U B1424 -857.514 -0.356 179.644 1.00851.72 O ATOM 29391 C5* U B1424 -857.564 -0.118 181.045 1.00851.72 C ATOM 29392 C4* U B1424 -857.051 -1.316 181.810 1.00851.72 C ATOM 29393 O4* U B1424 -857.394 -2.536 181.100 1.00851.72 O ATOM 29394 C3* U B1424 -855.558 -1.414 182.049 1.00851.72 C ATOM 29395 O3* U B1424 -855.188 -0.659 183.193 1.00851.72 O ATOM 29396 C2* U B1424 -855.352 -2.906 182.265 1.00851.72 C ATOM 29397 O2* U B1424 -855.643 -3.314 183.588 1.00851.72 O ATOM 29398 C1* U B1424 -856.374 -3.503 181.296 1.00851.72 C ATOM 29399 N1 U B1424 -855.754 -3.812 180.003 1.00851.72 N ATOM 29400 C2 U B1424 -855.287 -5.097 179.801 1.00851.72 C ATOM 29401 O2 U B1424 -855.408 -5.982 180.631 1.00851.72 O ATOM 29402 N3 U B1424 -854.673 -5.305 178.592 1.00851.72 N ATOM 29403 C4 U B1424 -854.486 -4.383 177.582 1.00851.72 C ATOM 29404 O4 U B1424 -853.868 -4.708 176.569 1.00851.72 O ATOM 29405 C5 U B1424 -855.020 -3.085 177.856 1.00851.72 C ATOM 29406 C6 U B1424 -855.621 -2.851 179.027 1.00851.72 C ATOM 29407 P G B1425 -853.685 -0.108 183.320 1.00851.72 P ATOM 29408 O1P G B1425 -853.591 0.688 184.569 1.00851.72 O ATOM 29409 O2P G B1425 -853.314 0.515 182.022 1.00851.72 O ATOM 29410 O5* G B1425 -852.812 -1.428 183.497 1.00851.72 O ATOM 29411 C5* G B1425 -852.410 -1.861 184.792 1.00851.72 C ATOM 29412 C4* G B1425 -851.444 -3.019 184.683 1.00851.72 C ATOM 29413 O4* G B1425 -852.007 -4.060 183.844 1.00851.72 O ATOM 29414 C3* G B1425 -850.086 -2.699 184.079 1.00851.72 C ATOM 29415 O3* G B1425 -849.201 -2.216 185.080 1.00851.72 O ATOM 29416 C2* G B1425 -849.650 -4.040 183.496 1.00851.72 C ATOM 29417 O2* G B1425 -849.064 -4.890 184.461 1.00851.72 O ATOM 29418 C1* G B1425 -850.988 -4.629 183.036 1.00851.72 C ATOM 29419 N9 G B1425 -851.281 -4.310 181.644 1.00851.72 N ATOM 29420 C8 G B1425 -852.077 -3.291 181.176 1.00851.72 C ATOM 29421 N7 G B1425 -852.134 -3.242 179.872 1.00851.72 N ATOM 29422 C5 G B1425 -851.330 -4.291 179.454 1.00851.72 C ATOM 29423 C6 G B1425 -851.003 -4.734 178.142 1.00851.72 C ATOM 29424 O6 G B1425 -851.371 -4.269 177.059 1.00851.72 O ATOM 29425 N1 G B1425 -850.157 -5.840 178.174 1.00851.72 N ATOM 29426 C2 G B1425 -849.683 -6.439 179.315 1.00851.72 C ATOM 29427 N2 G B1425 -848.877 -7.496 179.130 1.00851.72 N ATOM 29428 N3 G B1425 -849.977 -6.037 180.539 1.00851.72 N ATOM 29429 C4 G B1425 -850.800 -4.967 180.533 1.00851.72 C ATOM 29430 P U B1426 -847.917 -1.350 184.650 1.00851.72 P ATOM 29431 O1P U B1426 -847.266 -0.858 185.891 1.00851.72 O ATOM 29432 O2P U B1426 -848.337 -0.380 183.609 1.00851.72 O ATOM 29433 O5* U B1426 -846.953 -2.421 183.970 1.00851.72 O ATOM 29434 C5* U B1426 -845.932 -2.008 183.070 1.00851.72 C ATOM 29435 C4* U B1426 -844.670 -2.795 183.324 1.00851.72 C ATOM 29436 O4* U B1426 -844.901 -4.193 183.018 1.00851.72 O ATOM 29437 C3* U B1426 -843.461 -2.422 182.464 1.00851.72 C ATOM 29438 O3* U B1426 -842.744 -1.274 182.895 1.00851.72 O ATOM 29439 C2* U B1426 -842.628 -3.697 182.514 1.00851.72 C ATOM 29440 O2* U B1426 -841.861 -3.797 183.696 1.00851.72 O ATOM 29441 C1* U B1426 -843.712 -4.774 182.507 1.00851.72 C ATOM 29442 N1 U B1426 -843.993 -5.278 181.155 1.00851.72 N ATOM 29443 C2 U B1426 -843.092 -6.169 180.604 1.00851.72 C ATOM 29444 O2 U B1426 -842.097 -6.553 181.190 1.00851.72 O ATOM 29445 N3 U B1426 -843.403 -6.595 179.337 1.00851.72 N ATOM 29446 C4 U B1426 -844.498 -6.225 178.580 1.00851.72 C ATOM 29447 O4 U B1426 -844.637 -6.691 177.447 1.00851.72 O ATOM 29448 C5 U B1426 -845.384 -5.303 179.224 1.00851.72 C ATOM 29449 C6 U B1426 -845.108 -4.872 180.459 1.00851.72 C ATOM 29450 P G B1427 -841.535 -0.718 181.993 1.00851.72 P ATOM 29451 O1P G B1427 -840.337 -1.552 182.260 1.00851.72 O ATOM 29452 O2P G B1427 -841.469 0.752 182.202 1.00851.72 O ATOM 29453 O5* G B1427 -842.021 -0.984 180.500 1.00851.72 O ATOM 29454 C5* G B1427 -841.460 -2.041 179.729 1.00851.72 C ATOM 29455 C4* G B1427 -841.584 -1.736 178.255 1.00851.72 C ATOM 29456 O4* G B1427 -842.936 -2.009 177.805 1.00851.72 O ATOM 29457 C3* G B1427 -841.363 -0.321 177.743 1.00851.72 C ATOM 29458 O3* G B1427 -839.978 -0.002 177.668 1.00851.72 O ATOM 29459 C2* G B1427 -842.040 -0.324 176.375 1.00851.72 C ATOM 29460 O2* G B1427 -841.189 -0.799 175.352 1.00851.72 O ATOM 29461 C1* G B1427 -843.185 -1.318 176.590 1.00851.72 C ATOM 29462 N9 G B1427 -844.491 -0.673 176.695 1.00851.72 N ATOM 29463 C8 G B1427 -844.933 0.121 177.722 1.00851.72 C ATOM 29464 N7 G B1427 -846.146 0.565 177.540 1.00851.72 N ATOM 29465 C5 G B1427 -846.533 0.031 176.318 1.00851.72 C ATOM 29466 C6 G B1427 -847.748 0.166 175.602 1.00851.72 C ATOM 29467 O6 G B1427 -848.761 0.807 175.908 1.00851.72 O ATOM 29468 N1 G B1427 -847.716 -0.542 174.405 1.00851.72 N ATOM 29469 C2 G B1427 -846.653 -1.287 173.954 1.00851.72 C ATOM 29470 N2 G B1427 -846.821 -1.896 172.768 1.00851.72 N ATOM 29471 N3 G B1427 -845.511 -1.421 174.613 1.00851.72 N ATOM 29472 C4 G B1427 -845.521 -0.739 175.782 1.00851.72 C ATOM 29473 P G B1428 -839.429 1.336 178.370 1.00851.72 P ATOM 29474 O1P G B1428 -838.401 1.924 177.476 1.00851.72 O ATOM 29475 O2P G B1428 -839.078 1.010 179.777 1.00851.72 O ATOM 29476 O5* G B1428 -840.688 2.312 178.388 1.00851.72 O ATOM 29477 C5* G B1428 -841.181 2.895 177.187 1.00851.72 C ATOM 29478 C4* G B1428 -842.299 3.860 177.504 1.00851.72 C ATOM 29479 O4* G B1428 -843.275 3.196 178.347 1.00851.72 O ATOM 29480 C3* G B1428 -841.912 5.097 178.278 1.00851.72 C ATOM 29481 O3* G B1428 -841.443 6.079 177.359 1.00851.72 O ATOM 29482 C2* G B1428 -843.215 5.497 178.963 1.00851.72 C ATOM 29483 O2* G B1428 -844.064 6.255 178.120 1.00851.72 O ATOM 29484 C1* G B1428 -843.858 4.133 179.234 1.00851.72 C ATOM 29485 N9 G B1428 -843.636 3.654 180.595 1.00851.72 N ATOM 29486 C8 G B1428 -842.478 3.756 181.323 1.00851.72 C ATOM 29487 N7 G B1428 -842.575 3.236 182.519 1.00851.72 N ATOM 29488 C5 G B1428 -843.875 2.761 182.581 1.00851.72 C ATOM 29489 C6 G B1428 -844.562 2.097 183.632 1.00851.72 C ATOM 29490 O6 G B1428 -844.140 1.786 184.752 1.00851.72 O ATOM 29491 N1 G B1428 -845.867 1.789 183.272 1.00851.72 N ATOM 29492 C2 G B1428 -846.445 2.082 182.062 1.00851.72 C ATOM 29493 N2 G B1428 -847.722 1.699 181.905 1.00851.72 N ATOM 29494 N3 G B1428 -845.818 2.702 181.074 1.00851.72 N ATOM 29495 C4 G B1428 -844.547 3.011 181.402 1.00851.72 C ATOM 29496 P A B1429 -839.862 6.280 177.144 1.00851.72 P ATOM 29497 O1P A B1429 -839.184 5.060 177.651 1.00851.72 O ATOM 29498 O2P A B1429 -839.484 7.607 177.690 1.00851.72 O ATOM 29499 O5* A B1429 -839.689 6.320 175.560 1.00851.72 O ATOM 29500 C5* A B1429 -839.897 5.148 174.770 1.00851.72 C ATOM 29501 C4* A B1429 -841.363 5.002 174.428 1.00851.72 C ATOM 29502 O4* A B1429 -842.019 6.273 174.667 1.00851.72 O ATOM 29503 C3* A B1429 -841.692 4.663 172.985 1.00851.72 C ATOM 29504 O3* A B1429 -841.657 3.256 172.775 1.00851.72 O ATOM 29505 C2* A B1429 -843.089 5.238 172.809 1.00851.72 C ATOM 29506 O2* A B1429 -844.099 4.368 173.279 1.00851.72 O ATOM 29507 C1* A B1429 -843.027 6.485 173.695 1.00851.72 C ATOM 29508 N9 A B1429 -842.664 7.681 172.938 1.00851.72 N ATOM 29509 C8 A B1429 -843.116 8.043 171.694 1.00851.72 C ATOM 29510 N7 A B1429 -842.631 9.180 171.263 1.00851.72 N ATOM 29511 C5 A B1429 -841.799 9.596 172.295 1.00851.72 C ATOM 29512 C6 A B1429 -840.993 10.735 172.454 1.00851.72 C ATOM 29513 N6 A B1429 -840.888 11.701 171.538 1.00851.72 N ATOM 29514 N1 A B1429 -840.287 10.846 173.600 1.00851.72 N ATOM 29515 C2 A B1429 -840.396 9.877 174.517 1.00851.72 C ATOM 29516 N3 A B1429 -841.120 8.765 174.484 1.00851.72 N ATOM 29517 C4 A B1429 -841.807 8.680 173.332 1.00851.72 C ATOM 29518 P G B1430 -840.493 2.611 171.874 1.00851.72 P ATOM 29519 O1P G B1430 -840.985 1.301 171.375 1.00851.72 O ATOM 29520 O2P G B1430 -839.223 2.672 172.640 1.00851.72 O ATOM 29521 O5* G B1430 -840.373 3.602 170.630 1.00851.72 O ATOM 29522 C5* G B1430 -840.170 3.108 169.305 1.00851.72 C ATOM 29523 C4* G B1430 -841.414 3.332 168.475 1.00851.72 C ATOM 29524 O4* G B1430 -841.733 4.746 168.452 1.00851.72 O ATOM 29525 C3* G B1430 -841.378 2.943 167.002 1.00851.72 C ATOM 29526 O3* G B1430 -841.581 1.551 166.794 1.00851.72 O ATOM 29527 C2* G B1430 -842.500 3.787 166.411 1.00851.72 C ATOM 29528 O2* G B1430 -843.773 3.199 166.600 1.00851.72 O ATOM 29529 C1* G B1430 -842.404 5.066 167.247 1.00851.72 C ATOM 29530 N9 G B1430 -841.653 6.124 166.580 1.00851.72 N ATOM 29531 C8 G B1430 -840.296 6.324 166.622 1.00851.72 C ATOM 29532 N7 G B1430 -839.904 7.352 165.922 1.00851.72 N ATOM 29533 C5 G B1430 -841.076 7.866 165.382 1.00851.72 C ATOM 29534 C6 G B1430 -841.281 8.983 164.537 1.00851.72 C ATOM 29535 O6 G B1430 -840.445 9.769 164.080 1.00851.72 O ATOM 29536 N1 G B1430 -842.629 9.146 164.226 1.00851.72 N ATOM 29537 C2 G B1430 -843.646 8.339 164.673 1.00851.72 C ATOM 29538 N2 G B1430 -844.880 8.662 164.261 1.00851.72 N ATOM 29539 N3 G B1430 -843.467 7.297 165.465 1.00851.72 N ATOM 29540 C4 G B1430 -842.166 7.117 165.778 1.00851.72 C ATOM 29541 P U B1431 -841.111 0.878 165.410 1.00851.72 P ATOM 29542 O1P U B1431 -841.442 -0.568 165.477 1.00851.72 O ATOM 29543 O2P U B1431 -839.712 1.296 165.137 1.00851.72 O ATOM 29544 O5* U B1431 -842.051 1.549 164.312 1.00851.72 O ATOM 29545 C5* U B1431 -843.453 1.293 164.297 1.00851.72 C ATOM 29546 C4* U B1431 -844.149 2.237 163.346 1.00851.72 C ATOM 29547 O4* U B1431 -843.847 3.604 163.730 1.00851.72 O ATOM 29548 C3* U B1431 -843.753 2.168 161.884 1.00851.72 C ATOM 29549 O3* U B1431 -844.495 1.150 161.224 1.00851.72 O ATOM 29550 C2* U B1431 -844.118 3.557 161.365 1.00851.72 C ATOM 29551 O2* U B1431 -845.486 3.666 161.029 1.00851.72 O ATOM 29552 C1* U B1431 -843.823 4.432 162.584 1.00851.72 C ATOM 29553 N1 U B1431 -842.506 5.078 162.514 1.00851.72 N ATOM 29554 C2 U B1431 -842.403 6.253 161.793 1.00851.72 C ATOM 29555 O2 U B1431 -843.351 6.766 161.224 1.00851.72 O ATOM 29556 N3 U B1431 -841.146 6.803 161.759 1.00851.72 N ATOM 29557 C4 U B1431 -840.006 6.307 162.364 1.00851.72 C ATOM 29558 O4 U B1431 -838.940 6.915 162.240 1.00851.72 O ATOM 29559 C5 U B1431 -840.196 5.092 163.094 1.00851.72 C ATOM 29560 C6 U B1431 -841.410 4.535 163.142 1.00851.72 C ATOM 29561 P G B1432 -843.942 0.523 159.849 1.00851.72 P ATOM 29562 O1P G B1432 -844.443 -0.873 159.767 1.00851.72 O ATOM 29563 O2P G B1432 -842.482 0.785 159.777 1.00851.72 O ATOM 29564 O5* G B1432 -844.662 1.377 158.714 1.00851.72 O ATOM 29565 C5* G B1432 -846.075 1.333 158.546 1.00851.72 C ATOM 29566 C4* G B1432 -846.505 2.281 157.451 1.00851.72 C ATOM 29567 O4* G B1432 -846.163 3.642 157.817 1.00851.72 O ATOM 29568 C3* G B1432 -845.871 2.092 156.081 1.00851.72 C ATOM 29569 O3* G B1432 -846.540 1.077 155.335 1.00851.72 O ATOM 29570 C2* G B1432 -846.027 3.470 155.438 1.00851.72 C ATOM 29571 O2* G B1432 -847.290 3.645 154.833 1.00851.72 O ATOM 29572 C1* G B1432 -845.911 4.401 156.648 1.00851.72 C ATOM 29573 N9 G B1432 -844.609 5.040 156.788 1.00851.72 N ATOM 29574 C8 G B1432 -843.585 4.670 157.630 1.00851.72 C ATOM 29575 N7 G B1432 -842.541 5.448 157.540 1.00851.72 N ATOM 29576 C5 G B1432 -842.891 6.388 156.579 1.00851.72 C ATOM 29577 C6 G B1432 -842.163 7.488 156.059 1.00851.72 C ATOM 29578 O6 G B1432 -841.022 7.867 156.353 1.00851.72 O ATOM 29579 N1 G B1432 -842.894 8.179 155.099 1.00851.72 N ATOM 29580 C2 G B1432 -844.164 7.854 154.691 1.00851.72 C ATOM 29581 N2 G B1432 -844.702 8.644 153.751 1.00851.72 N ATOM 29582 N3 G B1432 -844.858 6.835 155.171 1.00851.72 N ATOM 29583 C4 G B1432 -844.165 6.148 156.105 1.00851.72 C ATOM 29584 P A B1433 -845.697 0.074 154.404 1.00851.72 P ATOM 29585 O1P A B1433 -846.257 -1.286 154.599 1.00851.72 O ATOM 29586 O2P A B1433 -844.249 0.315 154.633 1.00851.72 O ATOM 29587 O5* A B1433 -846.057 0.544 152.924 1.00851.72 O ATOM 29588 C5* A B1433 -845.586 -0.174 151.788 1.00851.72 C ATOM 29589 C4* A B1433 -845.067 0.783 150.742 1.00851.72 C ATOM 29590 O4* A B1433 -844.142 1.716 151.356 1.00851.72 O ATOM 29591 C3* A B1433 -844.281 0.159 149.616 1.00851.72 C ATOM 29592 O3* A B1433 -845.166 -0.309 148.603 1.00851.72 O ATOM 29593 C2* A B1433 -843.395 1.302 149.133 1.00851.72 C ATOM 29594 O2* A B1433 -844.062 2.161 148.226 1.00851.72 O ATOM 29595 C1* A B1433 -843.115 2.047 150.439 1.00851.72 C ATOM 29596 N9 A B1433 -841.838 1.659 151.036 1.00851.72 N ATOM 29597 C8 A B1433 -841.429 0.392 151.382 1.00851.72 C ATOM 29598 N7 A B1433 -840.220 0.345 151.877 1.00851.72 N ATOM 29599 C5 A B1433 -839.803 1.670 151.866 1.00851.72 C ATOM 29600 C6 A B1433 -838.605 2.287 152.262 1.00851.72 C ATOM 29601 N6 A B1433 -837.559 1.622 152.765 1.00851.72 N ATOM 29602 N1 A B1433 -838.510 3.626 152.121 1.00851.72 N ATOM 29603 C2 A B1433 -839.554 4.291 151.608 1.00851.72 C ATOM 29604 N3 A B1433 -840.731 3.823 151.199 1.00851.72 N ATOM 29605 C4 A B1433 -840.791 2.489 151.357 1.00851.72 C ATOM 29606 P U B1434 -844.993 -1.801 148.033 1.00851.72 P ATOM 29607 O1P U B1434 -846.222 -2.135 147.268 1.00851.72 O ATOM 29608 O2P U B1434 -844.567 -2.681 149.153 1.00851.72 O ATOM 29609 O5* U B1434 -843.783 -1.687 147.000 1.00851.72 O ATOM 29610 C5* U B1434 -843.862 -2.272 145.704 1.00851.72 C ATOM 29611 C4* U B1434 -842.487 -2.709 145.248 1.00851.72 C ATOM 29612 O4* U B1434 -841.648 -1.540 145.084 1.00851.72 O ATOM 29613 C3* U B1434 -841.682 -3.620 146.164 1.00851.72 C ATOM 29614 O3* U B1434 -842.054 -4.983 146.004 1.00851.72 O ATOM 29615 C2* U B1434 -840.246 -3.359 145.722 1.00851.72 C ATOM 29616 O2* U B1434 -839.883 -4.125 144.585 1.00851.72 O ATOM 29617 C1* U B1434 -840.298 -1.881 145.341 1.00851.72 C ATOM 29618 N1 U B1434 -839.795 -0.981 146.388 1.00851.72 N ATOM 29619 C2 U B1434 -838.443 -1.001 146.665 1.00851.72 C ATOM 29620 O2 U B1434 -837.661 -1.743 146.097 1.00851.72 O ATOM 29621 N3 U B1434 -838.039 -0.117 147.638 1.00851.72 N ATOM 29622 C4 U B1434 -838.837 0.761 148.347 1.00851.72 C ATOM 29623 O4 U B1434 -838.318 1.525 149.161 1.00851.72 O ATOM 29624 C5 U B1434 -840.224 0.709 148.012 1.00851.72 C ATOM 29625 C6 U B1434 -840.646 -0.137 147.066 1.00851.72 C ATOM 29626 P G B1435 -841.337 -6.113 146.893 1.00851.72 P ATOM 29627 O1P G B1435 -840.387 -6.829 146.006 1.00851.72 O ATOM 29628 O2P G B1435 -842.387 -6.877 147.613 1.00851.72 O ATOM 29629 O5* G B1435 -840.489 -5.285 147.959 1.00851.72 O ATOM 29630 C5* G B1435 -839.395 -5.890 148.639 1.00851.72 C ATOM 29631 C4* G B1435 -838.079 -5.364 148.113 1.00851.72 C ATOM 29632 O4* G B1435 -838.053 -3.916 148.161 1.00851.72 O ATOM 29633 C3* G B1435 -836.832 -5.801 148.865 1.00851.72 C ATOM 29634 O3* G B1435 -836.379 -7.089 148.456 1.00851.72 O ATOM 29635 C2* G B1435 -835.830 -4.713 148.506 1.00851.72 C ATOM 29636 O2* G B1435 -835.195 -4.943 147.263 1.00851.72 O ATOM 29637 C1* G B1435 -836.726 -3.477 148.396 1.00851.72 C ATOM 29638 N9 G B1435 -836.697 -2.661 149.606 1.00851.72 N ATOM 29639 C8 G B1435 -837.650 -2.592 150.594 1.00851.72 C ATOM 29640 N7 G B1435 -837.314 -1.799 151.575 1.00851.72 N ATOM 29641 C5 G B1435 -836.067 -1.308 151.209 1.00851.72 C ATOM 29642 C6 G B1435 -835.197 -0.410 151.879 1.00851.72 C ATOM 29643 O6 G B1435 -835.356 0.146 152.974 1.00851.72 O ATOM 29644 N1 G B1435 -834.036 -0.181 151.149 1.00851.72 N ATOM 29645 C2 G B1435 -833.746 -0.743 149.936 1.00851.72 C ATOM 29646 N2 G B1435 -832.575 -0.393 149.389 1.00851.72 N ATOM 29647 N3 G B1435 -834.540 -1.587 149.301 1.00851.72 N ATOM 29648 C4 G B1435 -835.677 -1.823 149.992 1.00851.72 C ATOM 29649 P G B1436 -835.403 -7.925 149.421 1.00851.72 P ATOM 29650 O1P G B1436 -835.414 -9.339 148.962 1.00851.72 O ATOM 29651 O2P G B1436 -835.758 -7.608 150.828 1.00851.72 O ATOM 29652 O5* G B1436 -833.956 -7.323 149.134 1.00851.72 O ATOM 29653 C5* G B1436 -833.359 -7.410 147.839 1.00851.72 C ATOM 29654 C4* G B1436 -832.043 -6.672 147.837 1.00851.72 C ATOM 29655 O4* G B1436 -832.298 -5.271 148.114 1.00851.72 O ATOM 29656 C3* G B1436 -831.022 -7.084 148.887 1.00851.72 C ATOM 29657 O3* G B1436 -830.272 -8.216 148.460 1.00851.72 O ATOM 29658 C2* G B1436 -830.180 -5.825 149.054 1.00851.72 C ATOM 29659 O2* G B1436 -829.182 -5.701 148.066 1.00851.72 O ATOM 29660 C1* G B1436 -831.232 -4.725 148.868 1.00851.72 C ATOM 29661 N9 G B1436 -831.803 -4.237 150.120 1.00851.72 N ATOM 29662 C8 G B1436 -832.876 -4.775 150.792 1.00851.72 C ATOM 29663 N7 G B1436 -833.190 -4.117 151.871 1.00851.72 N ATOM 29664 C5 G B1436 -832.266 -3.082 151.922 1.00851.72 C ATOM 29665 C6 G B1436 -832.109 -2.039 152.868 1.00851.72 C ATOM 29666 O6 G B1436 -832.781 -1.810 153.880 1.00851.72 O ATOM 29667 N1 G B1436 -831.044 -1.206 152.541 1.00851.72 N ATOM 29668 C2 G B1436 -830.231 -1.358 151.444 1.00851.72 C ATOM 29669 N2 G B1436 -829.254 -0.450 151.305 1.00851.72 N ATOM 29670 N3 G B1436 -830.369 -2.326 150.553 1.00851.72 N ATOM 29671 C4 G B1436 -831.398 -3.146 150.849 1.00851.72 C ATOM 29672 P A B1437 -829.139 -8.832 149.416 1.00851.72 P ATOM 29673 O1P A B1437 -827.967 -7.923 149.357 1.00851.72 O ATOM 29674 O2P A B1437 -828.970 -10.269 149.089 1.00851.72 O ATOM 29675 O5* A B1437 -829.773 -8.722 150.873 1.00851.72 O ATOM 29676 C5* A B1437 -829.046 -8.124 151.940 1.00851.72 C ATOM 29677 C4* A B1437 -829.419 -8.772 153.248 1.00851.72 C ATOM 29678 O4* A B1437 -830.799 -8.462 153.575 1.00851.72 O ATOM 29679 C3* A B1437 -829.350 -10.278 153.333 1.00851.72 C ATOM 29680 O3* A B1437 -828.018 -10.704 153.558 1.00851.72 O ATOM 29681 C2* A B1437 -830.280 -10.595 154.499 1.00851.72 C ATOM 29682 O2* A B1437 -829.646 -10.462 155.754 1.00851.72 O ATOM 29683 C1* A B1437 -831.353 -9.520 154.343 1.00851.72 C ATOM 29684 N9 A B1437 -832.539 -10.021 153.647 1.00851.72 N ATOM 29685 C8 A B1437 -832.724 -10.158 152.295 1.00851.72 C ATOM 29686 N7 A B1437 -833.896 -10.648 151.968 1.00851.72 N ATOM 29687 C5 A B1437 -834.524 -10.845 153.189 1.00851.72 C ATOM 29688 C6 A B1437 -835.793 -11.349 153.527 1.00851.72 C ATOM 29689 N6 A B1437 -836.694 -11.749 152.630 1.00851.72 N ATOM 29690 N1 A B1437 -836.109 -11.416 154.840 1.00851.72 N ATOM 29691 C2 A B1437 -835.204 -11.011 155.739 1.00851.72 C ATOM 29692 N3 A B1437 -833.982 -10.522 155.545 1.00851.72 N ATOM 29693 C4 A B1437 -833.700 -10.466 154.233 1.00851.72 C ATOM 29694 P G B1438 -827.840 -10.628 152.509 1.00855.43 P ATOM 29695 O1P G B1438 -826.363 -10.575 152.354 1.00855.43 O ATOM 29696 O2P G B1438 -828.688 -10.934 151.327 1.00855.43 O ATOM 29697 O5* G B1438 -828.184 -11.674 153.656 1.00855.43 O ATOM 29698 C5* G B1438 -827.217 -12.015 154.642 1.00855.43 C ATOM 29699 C4* G B1438 -827.826 -12.930 155.668 1.00855.43 C ATOM 29700 O4* G B1438 -828.963 -12.306 156.318 1.00855.43 O ATOM 29701 C3* G B1438 -828.361 -14.250 155.166 1.00855.43 C ATOM 29702 O3* G B1438 -827.287 -15.147 154.953 1.00855.43 O ATOM 29703 C2* G B1438 -829.327 -14.660 156.271 1.00855.43 C ATOM 29704 O2* G B1438 -828.677 -15.279 157.362 1.00855.43 O ATOM 29705 C1* G B1438 -829.900 -13.306 156.698 1.00855.43 C ATOM 29706 N9 G B1438 -831.163 -13.022 156.027 1.00855.43 N ATOM 29707 C8 G B1438 -831.331 -12.475 154.778 1.00855.43 C ATOM 29708 N7 G B1438 -832.585 -12.359 154.432 1.00855.43 N ATOM 29709 C5 G B1438 -833.290 -12.854 155.520 1.00855.43 C ATOM 29710 C6 G B1438 -834.689 -12.982 155.726 1.00855.43 C ATOM 29711 O6 G B1438 -835.612 -12.681 154.963 1.00855.43 O ATOM 29712 N1 G B1438 -834.971 -13.531 156.974 1.00855.43 N ATOM 29713 C2 G B1438 -834.032 -13.907 157.903 1.00855.43 C ATOM 29714 N2 G B1438 -834.507 -14.415 159.051 1.00855.43 N ATOM 29715 N3 G B1438 -832.727 -13.792 157.723 1.00855.43 N ATOM 29716 C4 G B1438 -832.427 -13.263 156.517 1.00855.43 C ATOM 29717 P G B1439 -827.288 -16.070 153.633 1.00855.43 P ATOM 29718 O1P G B1439 -826.293 -17.154 153.820 1.00855.43 O ATOM 29719 O2P G B1439 -827.187 -15.173 152.452 1.00855.43 O ATOM 29720 O5* G B1439 -828.749 -16.702 153.639 1.00855.43 O ATOM 29721 C5* G B1439 -829.152 -17.585 154.679 1.00855.43 C ATOM 29722 C4* G B1439 -830.656 -17.680 154.727 1.00855.43 C ATOM 29723 O4* G B1439 -831.240 -16.355 154.718 1.00855.43 O ATOM 29724 C3* G B1439 -831.300 -18.395 153.554 1.00855.43 C ATOM 29725 O3* G B1439 -831.269 -19.803 153.742 1.00855.43 O ATOM 29726 C2* G B1439 -832.707 -17.810 153.531 1.00855.43 C ATOM 29727 O2* G B1439 -833.573 -18.451 154.443 1.00855.43 O ATOM 29728 C1* G B1439 -832.459 -16.371 153.997 1.00855.43 C ATOM 29729 N9 G B1439 -832.350 -15.393 152.917 1.00855.43 N ATOM 29730 C8 G B1439 -831.212 -15.062 152.219 1.00855.43 C ATOM 29731 N7 G B1439 -831.412 -14.132 151.325 1.00855.43 N ATOM 29732 C5 G B1439 -832.764 -13.837 151.435 1.00855.43 C ATOM 29733 C6 G B1439 -833.558 -12.899 150.723 1.00855.43 C ATOM 29734 O6 G B1439 -833.214 -12.118 149.828 1.00855.43 O ATOM 29735 N1 G B1439 -834.882 -12.929 151.146 1.00855.43 N ATOM 29736 C2 G B1439 -835.381 -13.749 152.128 1.00855.43 C ATOM 29737 N2 G B1439 -836.691 -13.632 152.387 1.00855.43 N ATOM 29738 N3 G B1439 -834.650 -14.622 152.801 1.00855.43 N ATOM 29739 C4 G B1439 -833.359 -14.612 152.407 1.00855.43 C ATOM 29740 P G B1440 -831.747 -20.769 152.553 1.00855.43 P ATOM 29741 O1P G B1440 -831.495 -22.169 152.976 1.00855.43 O ATOM 29742 O2P G B1440 -831.166 -20.269 151.281 1.00855.43 O ATOM 29743 O5* G B1440 -833.317 -20.534 152.504 1.00855.43 O ATOM 29744 C5* G B1440 -834.196 -21.292 153.328 1.00855.43 C ATOM 29745 C4* G B1440 -835.590 -21.235 152.765 1.00855.43 C ATOM 29746 O4* G B1440 -836.143 -19.909 152.961 1.00855.43 O ATOM 29747 C3* G B1440 -835.700 -21.473 151.274 1.00855.43 C ATOM 29748 O3* G B1440 -835.679 -22.863 150.971 1.00855.43 O ATOM 29749 C2* G B1440 -837.006 -20.776 150.919 1.00855.43 C ATOM 29750 O2* G B1440 -838.139 -21.580 151.192 1.00855.43 O ATOM 29751 C1* G B1440 -836.980 -19.574 151.865 1.00855.43 C ATOM 29752 N9 G B1440 -836.426 -18.380 151.238 1.00855.43 N ATOM 29753 C8 G B1440 -835.108 -17.987 151.248 1.00855.43 C ATOM 29754 N7 G B1440 -834.899 -16.876 150.595 1.00855.43 N ATOM 29755 C5 G B1440 -836.154 -16.512 150.127 1.00855.43 C ATOM 29756 C6 G B1440 -836.554 -15.396 149.351 1.00855.43 C ATOM 29757 O6 G B1440 -835.858 -14.474 148.910 1.00855.43 O ATOM 29758 N1 G B1440 -837.922 -15.413 149.099 1.00855.43 N ATOM 29759 C2 G B1440 -838.795 -16.379 149.534 1.00855.43 C ATOM 29760 N2 G B1440 -840.079 -16.217 149.188 1.00855.43 N ATOM 29761 N3 G B1440 -838.435 -17.429 150.259 1.00855.43 N ATOM 29762 C4 G B1440 -837.108 -17.429 150.516 1.00855.43 C ATOM 29763 P A B1441 -834.338 -23.517 150.360 1.00855.43 P ATOM 29764 O1P A B1441 -834.356 -24.958 150.719 1.00855.43 O ATOM 29765 O2P A B1441 -833.181 -22.678 150.766 1.00855.43 O ATOM 29766 O5* A B1441 -834.501 -23.406 148.776 1.00855.43 O ATOM 29767 C5* A B1441 -834.870 -22.176 148.155 1.00855.43 C ATOM 29768 C4* A B1441 -833.934 -21.861 147.011 1.00855.43 C ATOM 29769 O4* A B1441 -834.438 -20.713 146.276 1.00855.43 O ATOM 29770 C3* A B1441 -832.523 -21.488 147.398 1.00855.43 C ATOM 29771 O3* A B1441 -831.740 -22.665 147.530 1.00855.43 O ATOM 29772 C2* A B1441 -832.060 -20.624 146.233 1.00855.43 C ATOM 29773 O2* A B1441 -831.602 -21.391 145.138 1.00855.43 O ATOM 29774 C1* A B1441 -833.355 -19.899 145.857 1.00855.43 C ATOM 29775 N9 A B1441 -833.469 -18.607 146.537 1.00855.43 N ATOM 29776 C8 A B1441 -834.433 -18.215 147.434 1.00855.43 C ATOM 29777 N7 A B1441 -834.256 -17.002 147.899 1.00855.43 N ATOM 29778 C5 A B1441 -833.104 -16.564 147.261 1.00855.43 C ATOM 29779 C6 A B1441 -832.388 -15.358 147.331 1.00855.43 C ATOM 29780 N6 A B1441 -832.736 -14.333 148.111 1.00855.43 N ATOM 29781 N1 A B1441 -831.281 -15.239 146.561 1.00855.43 N ATOM 29782 C2 A B1441 -830.930 -16.272 145.784 1.00855.43 C ATOM 29783 N3 A B1441 -831.518 -17.455 145.637 1.00855.43 N ATOM 29784 C4 A B1441 -832.616 -17.538 146.411 1.00855.43 C ATOM 29785 P C B1442 -830.214 -22.542 148.017 1.00855.43 P ATOM 29786 O1P C B1442 -830.230 -21.874 149.345 1.00855.43 O ATOM 29787 O2P C B1442 -829.414 -21.953 146.912 1.00855.43 O ATOM 29788 O5* C B1442 -829.745 -24.048 148.233 1.00855.43 O ATOM 29789 C5* C B1442 -829.444 -24.894 147.129 1.00855.43 C ATOM 29790 C4* C B1442 -830.260 -26.159 147.219 1.00855.43 C ATOM 29791 O4* C B1442 -831.668 -25.807 147.264 1.00855.43 O ATOM 29792 C3* C B1442 -830.155 -27.128 146.069 1.00855.43 C ATOM 29793 O3* C B1442 -829.033 -27.976 146.276 1.00855.43 O ATOM 29794 C2* C B1442 -831.465 -27.900 146.155 1.00855.43 C ATOM 29795 O2* C B1442 -831.416 -28.949 147.100 1.00855.43 O ATOM 29796 C1* C B1442 -832.435 -26.822 146.641 1.00855.43 C ATOM 29797 N1 C B1442 -833.175 -26.231 145.517 1.00855.43 N ATOM 29798 C2 C B1442 -834.514 -26.585 145.333 1.00855.43 C ATOM 29799 O2 C B1442 -835.053 -27.334 146.158 1.00855.43 O ATOM 29800 N3 C B1442 -835.183 -26.102 144.263 1.00855.43 N ATOM 29801 C4 C B1442 -834.567 -25.288 143.404 1.00855.43 C ATOM 29802 N4 C B1442 -835.252 -24.865 142.344 1.00855.43 N ATOM 29803 C5 C B1442 -833.214 -24.881 143.588 1.00855.43 C ATOM 29804 C6 C B1442 -832.564 -25.370 144.649 1.00855.43 C ATOM 29805 P G B1443 -828.703 -29.137 145.217 1.00855.43 P ATOM 29806 O1P G B1443 -829.734 -30.192 145.373 1.00855.43 O ATOM 29807 O2P G B1443 -827.265 -29.492 145.351 1.00855.43 O ATOM 29808 O5* G B1443 -828.907 -28.457 143.790 1.00855.43 O ATOM 29809 C5* G B1443 -829.906 -28.929 142.887 1.00855.43 C ATOM 29810 C4* G B1443 -829.257 -29.484 141.638 1.00855.43 C ATOM 29811 O4* G B1443 -828.215 -28.582 141.185 1.00855.43 O ATOM 29812 C3* G B1443 -828.579 -30.832 141.822 1.00855.43 C ATOM 29813 O3* G B1443 -829.523 -31.871 141.583 1.00855.43 O ATOM 29814 C2* G B1443 -827.464 -30.806 140.781 1.00855.43 C ATOM 29815 O2* G B1443 -827.908 -31.194 139.496 1.00855.43 O ATOM 29816 C1* G B1443 -827.083 -29.325 140.771 1.00855.43 C ATOM 29817 N9 G B1443 -825.981 -29.018 141.673 1.00855.43 N ATOM 29818 C8 G B1443 -825.954 -28.040 142.641 1.00855.43 C ATOM 29819 N7 G B1443 -824.827 -28.004 143.298 1.00855.43 N ATOM 29820 C5 G B1443 -824.062 -29.018 142.734 1.00855.43 C ATOM 29821 C6 G B1443 -822.745 -29.453 143.039 1.00855.43 C ATOM 29822 O6 G B1443 -821.965 -29.017 143.893 1.00855.43 O ATOM 29823 N1 G B1443 -822.359 -30.510 142.224 1.00855.43 N ATOM 29824 C2 G B1443 -823.132 -31.077 141.244 1.00855.43 C ATOM 29825 N2 G B1443 -822.575 -32.092 140.564 1.00855.43 N ATOM 29826 N3 G B1443 -824.362 -30.683 140.952 1.00855.43 N ATOM 29827 C4 G B1443 -824.761 -29.655 141.732 1.00855.43 C ATOM 29828 P C B1444 -829.273 -33.328 142.211 1.00855.43 P ATOM 29829 O1P C B1444 -830.285 -34.246 141.627 1.00855.43 O ATOM 29830 O2P C B1444 -829.172 -33.193 143.685 1.00855.43 O ATOM 29831 O5* C B1444 -827.846 -33.750 141.649 1.00855.43 O ATOM 29832 C5* C B1444 -827.714 -34.323 140.353 1.00855.43 C ATOM 29833 C4* C B1444 -826.427 -35.107 140.251 1.00855.43 C ATOM 29834 O4* C B1444 -825.303 -34.246 140.574 1.00855.43 O ATOM 29835 C3* C B1444 -826.330 -36.250 141.240 1.00855.43 C ATOM 29836 O3* C B1444 -826.949 -37.415 140.717 1.00855.43 O ATOM 29837 C2* C B1444 -824.830 -36.420 141.420 1.00855.43 C ATOM 29838 O2* C B1444 -824.242 -37.195 140.394 1.00855.43 O ATOM 29839 C1* C B1444 -824.342 -34.975 141.318 1.00855.43 C ATOM 29840 N1 C B1444 -824.214 -34.360 142.648 1.00855.43 N ATOM 29841 C2 C B1444 -822.996 -34.470 143.319 1.00855.43 C ATOM 29842 O2 C B1444 -822.058 -35.061 142.764 1.00855.43 O ATOM 29843 N3 C B1444 -822.869 -33.931 144.555 1.00855.43 N ATOM 29844 C4 C B1444 -823.900 -33.299 145.117 1.00855.43 C ATOM 29845 N4 C B1444 -823.726 -32.790 146.340 1.00855.43 N ATOM 29846 C5 C B1444 -825.153 -33.164 144.450 1.00855.43 C ATOM 29847 C6 C B1444 -825.265 -33.704 143.227 1.00855.43 C ATOM 29848 P A B1445 -827.477 -38.549 141.728 1.00855.43 P ATOM 29849 O1P A B1445 -828.084 -39.632 140.918 1.00855.43 O ATOM 29850 O2P A B1445 -828.279 -37.879 142.784 1.00855.43 O ATOM 29851 O5* A B1445 -826.148 -39.110 142.400 1.00855.43 O ATOM 29852 C5* A B1445 -825.226 -39.891 141.650 1.00855.43 C ATOM 29853 C4* A B1445 -823.938 -40.061 142.420 1.00855.43 C ATOM 29854 O4* A B1445 -823.375 -38.758 142.719 1.00855.43 O ATOM 29855 C3* A B1445 -823.995 -40.749 143.775 1.00855.43 C ATOM 29856 O3* A B1445 -824.036 -42.165 143.655 1.00855.43 O ATOM 29857 C2* A B1445 -822.719 -40.260 144.445 1.00855.43 C ATOM 29858 O2* A B1445 -821.587 -41.002 144.042 1.00855.43 O ATOM 29859 C1* A B1445 -822.612 -38.831 143.912 1.00855.43 C ATOM 29860 N9 A B1445 -823.150 -37.848 144.853 1.00855.43 N ATOM 29861 C8 A B1445 -824.360 -37.204 144.782 1.00855.43 C ATOM 29862 N7 A B1445 -824.580 -36.379 145.778 1.00855.43 N ATOM 29863 C5 A B1445 -823.436 -36.485 146.554 1.00855.43 C ATOM 29864 C6 A B1445 -823.048 -35.864 147.754 1.00855.43 C ATOM 29865 N6 A B1445 -823.803 -34.975 148.406 1.00855.43 N ATOM 29866 N1 A B1445 -821.842 -36.190 148.269 1.00855.43 N ATOM 29867 C2 A B1445 -821.087 -37.081 147.616 1.00855.43 C ATOM 29868 N3 A B1445 -821.342 -37.733 146.484 1.00855.43 N ATOM 29869 C4 A B1445 -822.547 -37.388 145.999 1.00855.43 C ATOM 29870 P U B1446 -824.507 -43.056 144.912 1.00855.43 P ATOM 29871 O1P U B1446 -824.569 -44.469 144.447 1.00855.43 O ATOM 29872 O2P U B1446 -825.711 -42.428 145.509 1.00855.43 O ATOM 29873 O5* U B1446 -823.302 -42.934 145.950 1.00855.43 O ATOM 29874 C5* U B1446 -822.011 -43.444 145.620 1.00855.43 C ATOM 29875 C4* U B1446 -820.999 -43.080 146.681 1.00855.43 C ATOM 29876 O4* U B1446 -820.936 -41.636 146.840 1.00855.43 O ATOM 29877 C3* U B1446 -821.265 -43.609 148.082 1.00855.43 C ATOM 29878 O3* U B1446 -820.764 -44.933 148.231 1.00855.43 O ATOM 29879 C2* U B1446 -820.484 -42.636 148.959 1.00855.43 C ATOM 29880 O2* U B1446 -819.113 -42.971 149.053 1.00855.43 O ATOM 29881 C1* U B1446 -820.616 -41.323 148.185 1.00855.43 C ATOM 29882 N1 U B1446 -821.629 -40.409 148.730 1.00855.43 N ATOM 29883 C2 U B1446 -821.287 -39.695 149.864 1.00855.43 C ATOM 29884 O2 U B1446 -820.199 -39.800 150.408 1.00855.43 O ATOM 29885 N3 U B1446 -822.262 -38.854 150.339 1.00855.43 N ATOM 29886 C4 U B1446 -823.518 -38.658 149.810 1.00855.43 C ATOM 29887 O4 U B1446 -824.288 -37.863 150.356 1.00855.43 O ATOM 29888 C5 U B1446 -823.799 -39.430 148.638 1.00855.43 C ATOM 29889 C6 U B1446 -822.869 -40.260 148.150 1.00855.43 C ATOM 29890 P U B1447 -821.389 -45.902 149.352 1.00855.43 P ATOM 29891 O1P U B1447 -820.742 -47.229 149.194 1.00855.43 O ATOM 29892 O2P U B1447 -822.870 -45.794 149.290 1.00855.43 O ATOM 29893 O5* U B1447 -820.899 -45.273 150.731 1.00855.43 O ATOM 29894 C5* U B1447 -819.516 -45.273 151.082 1.00855.43 C ATOM 29895 C4* U B1447 -819.289 -44.458 152.333 1.00855.43 C ATOM 29896 O4* U B1447 -819.664 -43.081 152.078 1.00855.43 O ATOM 29897 C3* U B1447 -820.116 -44.797 153.565 1.00855.43 C ATOM 29898 O3* U B1447 -819.538 -45.892 154.267 1.00855.43 O ATOM 29899 C2* U B1447 -820.079 -43.515 154.388 1.00855.43 C ATOM 29900 O2* U B1447 -818.935 -43.429 155.212 1.00855.43 O ATOM 29901 C1* U B1447 -820.002 -42.442 153.297 1.00855.43 C ATOM 29902 N1 U B1447 -821.265 -41.718 153.107 1.00855.43 N ATOM 29903 C2 U B1447 -821.453 -40.553 153.828 1.00855.43 C ATOM 29904 O2 U B1447 -820.616 -40.110 154.596 1.00855.43 O ATOM 29905 N3 U B1447 -822.653 -39.925 153.614 1.00855.43 N ATOM 29906 C4 U B1447 -823.667 -40.334 152.771 1.00855.43 C ATOM 29907 O4 U B1447 -824.696 -39.662 152.692 1.00855.43 O ATOM 29908 C5 U B1447 -823.396 -41.547 152.059 1.00855.43 C ATOM 29909 C6 U B1447 -822.233 -42.179 152.247 1.00855.43 C ATOM 29910 P A B1448 -820.351 -47.273 154.394 1.00855.43 P ATOM 29911 O1P A B1448 -819.427 -48.270 154.991 1.00855.43 O ATOM 29912 O2P A B1448 -821.003 -47.560 153.094 1.00855.43 O ATOM 29913 O5* A B1448 -821.486 -46.952 155.468 1.00855.43 O ATOM 29914 C5* A B1448 -821.154 -46.789 156.841 1.00855.43 C ATOM 29915 C4* A B1448 -821.066 -45.326 157.200 1.00855.43 C ATOM 29916 O4* A B1448 -822.024 -44.551 156.430 1.00855.43 O ATOM 29917 C3* A B1448 -821.309 -44.927 158.644 1.00855.43 C ATOM 29918 O3* A B1448 -820.134 -45.107 159.425 1.00855.43 O ATOM 29919 C2* A B1448 -821.699 -43.456 158.528 1.00855.43 C ATOM 29920 O2* A B1448 -820.576 -42.602 158.446 1.00855.43 O ATOM 29921 C1* A B1448 -822.457 -43.436 157.195 1.00855.43 C ATOM 29922 N9 A B1448 -823.903 -43.527 157.386 1.00855.43 N ATOM 29923 C8 A B1448 -824.608 -44.479 158.083 1.00855.43 C ATOM 29924 N7 A B1448 -825.903 -44.266 158.099 1.00855.43 N ATOM 29925 C5 A B1448 -826.060 -43.103 157.360 1.00855.43 C ATOM 29926 C6 A B1448 -827.196 -42.351 157.013 1.00855.43 C ATOM 29927 N6 A B1448 -828.438 -42.666 157.383 1.00855.43 N ATOM 29928 N1 A B1448 -827.008 -41.241 156.262 1.00855.43 N ATOM 29929 C2 A B1448 -825.760 -40.920 155.892 1.00855.43 C ATOM 29930 N3 A B1448 -824.615 -41.546 156.160 1.00855.43 N ATOM 29931 C4 A B1448 -824.837 -42.641 156.907 1.00855.43 C ATOM 29932 P C B1449 -820.256 -45.171 161.026 1.00855.43 P ATOM 29933 O1P C B1449 -818.930 -45.574 161.559 1.00855.43 O ATOM 29934 O2P C B1449 -821.459 -45.967 161.374 1.00855.43 O ATOM 29935 O5* C B1449 -820.520 -43.659 161.445 1.00855.43 O ATOM 29936 C5* C B1449 -820.019 -43.149 162.674 1.00855.43 C ATOM 29937 C4* C B1449 -820.829 -41.955 163.121 1.00855.43 C ATOM 29938 O4* C B1449 -820.597 -40.833 162.229 1.00855.43 O ATOM 29939 C3* C B1449 -822.340 -42.045 163.151 1.00855.43 C ATOM 29940 O3* C B1449 -822.787 -42.751 164.299 1.00855.43 O ATOM 29941 C2* C B1449 -822.772 -40.584 163.168 1.00855.43 C ATOM 29942 O2* C B1449 -822.754 -40.025 164.467 1.00855.43 O ATOM 29943 C1* C B1449 -821.685 -39.929 162.310 1.00855.43 C ATOM 29944 N1 C B1449 -822.176 -39.659 160.952 1.00855.43 N ATOM 29945 C2 C B1449 -823.245 -38.775 160.789 1.00855.43 C ATOM 29946 O2 C B1449 -823.728 -38.221 161.791 1.00855.43 O ATOM 29947 N3 C B1449 -823.729 -38.543 159.546 1.00855.43 N ATOM 29948 C4 C B1449 -823.180 -39.157 158.493 1.00855.43 C ATOM 29949 N4 C B1449 -823.689 -38.910 157.284 1.00855.43 N ATOM 29950 C5 C B1449 -822.082 -40.055 158.632 1.00855.43 C ATOM 29951 C6 C B1449 -821.614 -40.272 159.866 1.00855.43 C ATOM 29952 P G B1450 -824.166 -43.573 164.227 1.00855.43 P ATOM 29953 O1P G B1450 -824.326 -44.298 165.515 1.00855.43 O ATOM 29954 O2P G B1450 -824.188 -44.335 162.951 1.00855.43 O ATOM 29955 O5* G B1450 -825.279 -42.435 164.152 1.00855.43 O ATOM 29956 C5* G B1450 -825.562 -41.631 165.292 1.00855.43 C ATOM 29957 C4* G B1450 -827.000 -41.169 165.274 1.00855.43 C ATOM 29958 O4* G B1450 -827.254 -40.297 164.143 1.00855.43 O ATOM 29959 C3* G B1450 -828.127 -42.195 165.164 1.00855.43 C ATOM 29960 O3* G B1450 -828.371 -42.876 166.390 1.00855.43 O ATOM 29961 C2* G B1450 -829.318 -41.348 164.726 1.00855.43 C ATOM 29962 O2* G B1450 -829.995 -40.762 165.821 1.00855.43 O ATOM 29963 C1* G B1450 -828.648 -40.242 163.905 1.00855.43 C ATOM 29964 N9 G B1450 -828.901 -40.302 162.469 1.00855.43 N ATOM 29965 C8 G B1450 -828.380 -41.194 161.559 1.00855.43 C ATOM 29966 N7 G B1450 -828.792 -40.979 160.340 1.00855.43 N ATOM 29967 C5 G B1450 -829.640 -39.884 160.445 1.00855.43 C ATOM 29968 C6 G B1450 -830.385 -39.191 159.452 1.00855.43 C ATOM 29969 O6 G B1450 -830.446 -39.408 158.233 1.00855.43 O ATOM 29970 N1 G B1450 -831.114 -38.140 160.000 1.00855.43 N ATOM 29971 C2 G B1450 -831.126 -37.796 161.330 1.00855.43 C ATOM 29972 N2 G B1450 -831.894 -36.747 161.663 1.00855.43 N ATOM 29973 N3 G B1450 -830.436 -38.431 162.263 1.00855.43 N ATOM 29974 C4 G B1450 -829.719 -39.455 161.756 1.00855.43 C ATOM 29975 P C B1451 -829.056 -44.330 166.369 1.00855.43 P ATOM 29976 O1P C B1451 -829.147 -44.790 167.778 1.00855.43 O ATOM 29977 O2P C B1451 -828.353 -45.168 165.365 1.00855.43 O ATOM 29978 O5* C B1451 -830.531 -44.039 165.842 1.00855.43 O ATOM 29979 C5* C B1451 -831.559 -43.680 166.756 1.00855.43 C ATOM 29980 C4* C B1451 -832.852 -43.413 166.025 1.00855.43 C ATOM 29981 O4* C B1451 -832.614 -42.528 164.897 1.00855.43 O ATOM 29982 C3* C B1451 -833.553 -44.585 165.367 1.00855.43 C ATOM 29983 O3* C B1451 -834.295 -45.332 166.322 1.00855.43 O ATOM 29984 C2* C B1451 -834.462 -43.925 164.338 1.00855.43 C ATOM 29985 O2* C B1451 -835.696 -43.512 164.890 1.00855.43 O ATOM 29986 C1* C B1451 -833.648 -42.691 163.941 1.00855.43 C ATOM 29987 N1 C B1451 -833.047 -42.827 162.605 1.00855.43 N ATOM 29988 C2 C B1451 -833.256 -41.806 161.668 1.00855.43 C ATOM 29989 O2 C B1451 -833.921 -40.811 161.999 1.00855.43 O ATOM 29990 N3 C B1451 -832.734 -41.930 160.427 1.00855.43 N ATOM 29991 C4 C B1451 -832.024 -43.016 160.106 1.00855.43 C ATOM 29992 N4 C B1451 -831.536 -43.096 158.865 1.00855.43 N ATOM 29993 C5 C B1451 -831.789 -44.068 161.044 1.00855.43 C ATOM 29994 C6 C B1451 -832.312 -43.929 162.270 1.00855.43 C ATOM 29995 P U B1452 -834.293 -46.937 166.239 1.00855.43 P ATOM 29996 O1P U B1452 -833.398 -47.446 167.309 1.00855.43 O ATOM 29997 O2P U B1452 -834.052 -47.331 164.829 1.00855.43 O ATOM 29998 O5* U B1452 -835.788 -47.335 166.617 1.00855.43 O ATOM 29999 C5* U B1452 -836.354 -46.946 167.864 1.00855.43 C ATOM 30000 C4* U B1452 -837.661 -46.222 167.642 1.00855.43 C ATOM 30001 O4* U B1452 -837.438 -45.068 166.796 1.00855.43 O ATOM 30002 C3* U B1452 -838.736 -47.034 166.936 1.00855.43 C ATOM 30003 O3* U B1452 -839.490 -47.832 167.837 1.00855.43 O ATOM 30004 C2* U B1452 -839.576 -45.962 166.255 1.00855.43 C ATOM 30005 O2* U B1452 -840.521 -45.375 167.127 1.00855.43 O ATOM 30006 C1* U B1452 -838.515 -44.925 165.884 1.00855.43 C ATOM 30007 N1 U B1452 -837.989 -45.119 164.526 1.00855.43 N ATOM 30008 C2 U B1452 -838.397 -44.237 163.544 1.00855.43 C ATOM 30009 O2 U B1452 -839.164 -43.316 163.757 1.00855.43 O ATOM 30010 N3 U B1452 -837.871 -44.479 162.297 1.00855.43 N ATOM 30011 C4 U B1452 -836.999 -45.491 161.946 1.00855.43 C ATOM 30012 O4 U B1452 -836.622 -45.586 160.777 1.00855.43 O ATOM 30013 C5 U B1452 -836.625 -46.358 163.019 1.00855.43 C ATOM 30014 C6 U B1452 -837.121 -46.146 164.241 1.00855.43 C ATOM 30015 P A B1453 -840.412 -49.017 167.263 1.00855.43 P ATOM 30016 O1P A B1453 -840.982 -49.746 168.424 1.00855.43 O ATOM 30017 O2P A B1453 -839.634 -49.760 166.241 1.00855.43 O ATOM 30018 O5* A B1453 -841.596 -48.246 166.532 1.00855.43 O ATOM 30019 C5* A B1453 -842.641 -47.641 167.287 1.00855.43 C ATOM 30020 C4* A B1453 -843.621 -46.946 166.373 1.00855.43 C ATOM 30021 O4* A B1453 -842.952 -45.922 165.594 1.00855.43 O ATOM 30022 C3* A B1453 -844.366 -47.789 165.343 1.00855.43 C ATOM 30023 O3* A B1453 -845.473 -48.488 165.902 1.00855.43 O ATOM 30024 C2* A B1453 -844.796 -46.742 164.320 1.00855.43 C ATOM 30025 O2* A B1453 -845.976 -46.064 164.698 1.00855.43 O ATOM 30026 C1* A B1453 -843.616 -45.767 164.350 1.00855.43 C ATOM 30027 N9 A B1453 -842.654 -45.999 163.272 1.00855.43 N ATOM 30028 C8 A B1453 -841.283 -46.030 163.343 1.00855.43 C ATOM 30029 N7 A B1453 -840.702 -46.272 162.192 1.00855.43 N ATOM 30030 C5 A B1453 -841.758 -46.402 161.304 1.00855.43 C ATOM 30031 C6 A B1453 -841.808 -46.661 159.922 1.00855.43 C ATOM 30032 N6 A B1453 -840.727 -46.843 159.161 1.00855.43 N ATOM 30033 N1 A B1453 -843.028 -46.730 159.340 1.00855.43 N ATOM 30034 C2 A B1453 -844.112 -46.551 160.101 1.00855.43 C ATOM 30035 N3 A B1453 -844.194 -46.297 161.409 1.00855.43 N ATOM 30036 C4 A B1453 -842.967 -46.236 161.954 1.00855.43 C ATOM 30037 P U B1454 -845.931 -49.346 166.207 1.00857.03 P ATOM 30038 O1P U B1454 -847.404 -49.391 166.389 1.00857.03 O ATOM 30039 O2P U B1454 -845.100 -50.491 166.657 1.00857.03 O ATOM 30040 O5* U B1454 -845.630 -49.090 164.664 1.00857.03 O ATOM 30041 C5* U B1454 -846.614 -49.364 163.673 1.00857.03 C ATOM 30042 C4* U B1454 -845.967 -49.993 162.464 1.00857.03 C ATOM 30043 O4* U B1454 -844.908 -49.125 161.981 1.00857.03 O ATOM 30044 C3* U B1454 -845.303 -51.330 162.708 1.00857.03 C ATOM 30045 O3* U B1454 -846.257 -52.376 162.586 1.00857.03 O ATOM 30046 C2* U B1454 -844.224 -51.382 161.635 1.00857.03 C ATOM 30047 O2* U B1454 -844.717 -51.818 160.383 1.00857.03 O ATOM 30048 C1* U B1454 -843.810 -49.912 161.541 1.00857.03 C ATOM 30049 N1 U B1454 -842.659 -49.602 162.399 1.00857.03 N ATOM 30050 C2 U B1454 -841.398 -49.819 161.882 1.00857.03 C ATOM 30051 O2 U B1454 -841.211 -50.241 160.754 1.00857.03 O ATOM 30052 N3 U B1454 -840.364 -49.521 162.737 1.00857.03 N ATOM 30053 C4 U B1454 -840.464 -49.040 164.026 1.00857.03 C ATOM 30054 O4 U B1454 -839.439 -48.838 164.679 1.00857.03 O ATOM 30055 C5 U B1454 -841.802 -48.840 164.484 1.00857.03 C ATOM 30056 C6 U B1454 -842.829 -49.118 163.675 1.00857.03 C ATOM 30057 P C B1455 -846.173 -53.641 163.574 1.00857.03 P ATOM 30058 O1P C B1455 -847.385 -54.464 163.344 1.00857.03 O ATOM 30059 O2P C B1455 -845.868 -53.144 164.938 1.00857.03 O ATOM 30060 O5* C B1455 -844.906 -54.449 163.040 1.00857.03 O ATOM 30061 C5* C B1455 -844.854 -54.882 161.687 1.00857.03 C ATOM 30062 C4* C B1455 -843.444 -55.274 161.304 1.00857.03 C ATOM 30063 O4* C B1455 -842.559 -54.129 161.383 1.00857.03 O ATOM 30064 C3* C B1455 -842.857 -56.343 162.222 1.00857.03 C ATOM 30065 O3* C B1455 -843.133 -57.647 161.731 1.00857.03 O ATOM 30066 C2* C B1455 -841.362 -56.040 162.168 1.00857.03 C ATOM 30067 O2* C B1455 -840.726 -56.635 161.053 1.00857.03 O ATOM 30068 C1* C B1455 -841.348 -54.518 162.003 1.00857.03 C ATOM 30069 N1 C B1455 -841.186 -53.796 163.278 1.00857.03 N ATOM 30070 C2 C B1455 -839.974 -53.920 163.957 1.00857.03 C ATOM 30071 O2 C B1455 -839.081 -54.621 163.460 1.00857.03 O ATOM 30072 N3 C B1455 -839.803 -53.281 165.136 1.00857.03 N ATOM 30073 C4 C B1455 -840.790 -52.535 165.638 1.00857.03 C ATOM 30074 N4 C B1455 -840.575 -51.929 166.810 1.00857.03 N ATOM 30075 C5 C B1455 -842.038 -52.384 164.961 1.00857.03 C ATOM 30076 C6 C B1455 -842.195 -53.026 163.794 1.00857.03 C ATOM 30077 P C B1456 -843.785 -58.745 162.710 1.00857.03 P ATOM 30078 O1P C B1456 -844.372 -59.802 161.854 1.00857.03 O ATOM 30079 O2P C B1456 -844.640 -58.040 163.699 1.00857.03 O ATOM 30080 O5* C B1456 -842.536 -59.367 163.481 1.00857.03 O ATOM 30081 C5* C B1456 -841.561 -60.131 162.775 1.00857.03 C ATOM 30082 C4* C B1456 -840.226 -60.078 163.481 1.00857.03 C ATOM 30083 O4* C B1456 -839.790 -58.699 163.623 1.00857.03 O ATOM 30084 C3* C B1456 -840.197 -60.639 164.893 1.00857.03 C ATOM 30085 O3* C B1456 -840.022 -62.048 164.907 1.00857.03 O ATOM 30086 C2* C B1456 -839.004 -59.920 165.509 1.00857.03 C ATOM 30087 O2* C B1456 -837.773 -60.530 165.173 1.00857.03 O ATOM 30088 C1* C B1456 -839.082 -58.546 164.843 1.00857.03 C ATOM 30089 N1 C B1456 -839.792 -57.571 165.687 1.00857.03 N ATOM 30090 C2 C B1456 -839.190 -57.150 166.878 1.00857.03 C ATOM 30091 O2 C B1456 -838.073 -57.601 167.182 1.00857.03 O ATOM 30092 N3 C B1456 -839.839 -56.269 167.670 1.00857.03 N ATOM 30093 C4 C B1456 -841.040 -55.807 167.310 1.00857.03 C ATOM 30094 N4 C B1456 -841.645 -54.940 168.126 1.00857.03 N ATOM 30095 C5 C B1456 -841.671 -56.215 166.101 1.00857.03 C ATOM 30096 C6 C B1456 -841.016 -57.088 165.324 1.00857.03 C ATOM 30097 P A B1457 -840.434 -62.882 166.218 1.00857.03 P ATOM 30098 O1P A B1457 -840.269 -64.324 165.906 1.00857.03 O ATOM 30099 O2P A B1457 -841.744 -62.378 166.701 1.00857.03 O ATOM 30100 O5* A B1457 -839.322 -62.481 167.286 1.00857.03 O ATOM 30101 C5* A B1457 -837.979 -62.930 167.144 1.00857.03 C ATOM 30102 C4* A B1457 -837.225 -62.770 168.439 1.00857.03 C ATOM 30103 O4* A B1457 -837.075 -61.358 168.752 1.00857.03 O ATOM 30104 C3* A B1457 -837.843 -63.331 169.690 1.00857.03 C ATOM 30105 O3* A B1457 -837.611 -64.731 169.744 1.00857.03 O ATOM 30106 C2* A B1457 -837.130 -62.567 170.796 1.00857.03 C ATOM 30107 O2* A B1457 -835.857 -63.103 171.097 1.00857.03 O ATOM 30108 C1* A B1457 -836.978 -61.186 170.158 1.00857.03 C ATOM 30109 N9 A B1457 -838.078 -60.330 170.593 1.00857.03 N ATOM 30110 C8 A B1457 -839.201 -59.977 169.891 1.00857.03 C ATOM 30111 N7 A B1457 -840.045 -59.244 170.578 1.00857.03 N ATOM 30112 C5 A B1457 -839.428 -59.097 171.814 1.00857.03 C ATOM 30113 C6 A B1457 -839.813 -58.433 172.989 1.00857.03 C ATOM 30114 N6 A B1457 -840.967 -57.777 173.123 1.00857.03 N ATOM 30115 N1 A B1457 -838.964 -58.469 174.038 1.00857.03 N ATOM 30116 C2 A B1457 -837.811 -59.138 173.905 1.00857.03 C ATOM 30117 N3 A B1457 -837.341 -59.806 172.855 1.00857.03 N ATOM 30118 C4 A B1457 -838.208 -59.747 171.829 1.00857.03 C ATOM 30119 P A B1458 -838.870 -65.729 169.731 1.00857.03 P ATOM 30120 O1P A B1458 -838.519 -66.925 170.536 1.00857.03 O ATOM 30121 O2P A B1458 -839.305 -65.898 168.322 1.00857.03 O ATOM 30122 O5* A B1458 -840.003 -64.913 170.499 1.00857.03 O ATOM 30123 C5* A B1458 -840.508 -65.372 171.748 1.00857.03 C ATOM 30124 C4* A B1458 -841.152 -64.238 172.504 1.00857.03 C ATOM 30125 O4* A B1458 -842.310 -63.743 171.776 1.00857.03 O ATOM 30126 C3* A B1458 -841.720 -64.591 173.855 1.00857.03 C ATOM 30127 O3* A B1458 -840.669 -64.618 174.806 1.00857.03 O ATOM 30128 C2* A B1458 -842.748 -63.494 174.102 1.00857.03 C ATOM 30129 O2* A B1458 -842.167 -62.308 174.604 1.00857.03 O ATOM 30130 C1* A B1458 -843.284 -63.264 172.688 1.00857.03 C ATOM 30131 N9 A B1458 -844.524 -64.004 172.456 1.00857.03 N ATOM 30132 C8 A B1458 -844.682 -65.362 172.351 1.00857.03 C ATOM 30133 N7 A B1458 -845.922 -65.739 172.151 1.00857.03 N ATOM 30134 C5 A B1458 -846.626 -64.543 172.117 1.00857.03 C ATOM 30135 C6 A B1458 -847.991 -64.259 171.935 1.00857.03 C ATOM 30136 N6 A B1458 -848.925 -65.192 171.739 1.00857.03 N ATOM 30137 N1 A B1458 -848.370 -62.962 171.958 1.00857.03 N ATOM 30138 C2 A B1458 -847.434 -62.024 172.152 1.00857.03 C ATOM 30139 N3 A B1458 -846.121 -62.169 172.335 1.00857.03 N ATOM 30140 C4 A B1458 -845.780 -63.467 172.305 1.00857.03 C ATOM 30141 P U B1459 -840.310 -66.000 175.544 1.00857.03 P ATOM 30142 O1P U B1459 -838.851 -66.009 175.819 1.00857.03 O ATOM 30143 O2P U B1459 -840.913 -67.099 174.744 1.00857.03 O ATOM 30144 O5* U B1459 -841.085 -65.939 176.939 1.00857.03 O ATOM 30145 C5* U B1459 -842.039 -64.912 177.234 1.00857.03 C ATOM 30146 C4* U B1459 -843.196 -65.479 178.019 1.00857.03 C ATOM 30147 O4* U B1459 -843.849 -66.479 177.191 1.00857.03 O ATOM 30148 C3* U B1459 -842.805 -66.223 179.267 1.00857.03 C ATOM 30149 O3* U B1459 -842.710 -65.307 180.354 1.00857.03 O ATOM 30150 C2* U B1459 -843.941 -67.220 179.449 1.00857.03 C ATOM 30151 O2* U B1459 -845.060 -66.657 180.104 1.00857.03 O ATOM 30152 C1* U B1459 -844.305 -67.548 178.000 1.00857.03 C ATOM 30153 N1 U B1459 -843.666 -68.777 177.502 1.00857.03 N ATOM 30154 C2 U B1459 -844.456 -69.891 177.299 1.00857.03 C ATOM 30155 O2 U B1459 -845.656 -69.899 177.516 1.00857.03 O ATOM 30156 N3 U B1459 -843.788 -70.997 176.832 1.00857.03 N ATOM 30157 C4 U B1459 -842.440 -71.099 176.554 1.00857.03 C ATOM 30158 O4 U B1459 -841.984 -72.164 176.137 1.00857.03 O ATOM 30159 C5 U B1459 -841.691 -69.904 176.792 1.00857.03 C ATOM 30160 C6 U B1459 -842.315 -68.812 177.246 1.00857.03 C ATOM 30161 P G B1460 -841.286 -64.660 180.731 1.00857.03 P ATOM 30162 O1P G B1460 -840.280 -65.223 179.798 1.00857.03 O ATOM 30163 O2P G B1460 -841.092 -64.800 182.196 1.00857.03 O ATOM 30164 O5* G B1460 -841.449 -63.108 180.402 1.00857.03 O ATOM 30165 C5* G B1460 -840.544 -62.145 180.952 1.00857.03 C ATOM 30166 C4* G B1460 -841.106 -60.750 180.800 1.00857.03 C ATOM 30167 O4* G B1460 -841.128 -60.392 179.397 1.00857.03 O ATOM 30168 C3* G B1460 -842.527 -60.522 181.245 1.00857.03 C ATOM 30169 O3* G B1460 -842.538 -60.302 182.648 1.00857.03 O ATOM 30170 C2* G B1460 -842.952 -59.286 180.461 1.00857.03 C ATOM 30171 O2* G B1460 -842.557 -58.082 181.086 1.00857.03 O ATOM 30172 C1* G B1460 -842.173 -59.466 179.152 1.00857.03 C ATOM 30173 N9 G B1460 -843.006 -60.008 178.087 1.00857.03 N ATOM 30174 C8 G B1460 -842.831 -61.207 177.438 1.00857.03 C ATOM 30175 N7 G B1460 -843.744 -61.441 176.538 1.00857.03 N ATOM 30176 C5 G B1460 -844.572 -60.329 176.594 1.00857.03 C ATOM 30177 C6 G B1460 -845.739 -60.018 175.854 1.00857.03 C ATOM 30178 O6 G B1460 -846.290 -60.686 174.971 1.00857.03 O ATOM 30179 N1 G B1460 -846.269 -58.789 176.225 1.00857.03 N ATOM 30180 C2 G B1460 -845.748 -57.965 177.190 1.00857.03 C ATOM 30181 N2 G B1460 -846.406 -56.815 177.407 1.00857.03 N ATOM 30182 N3 G B1460 -844.659 -58.241 177.893 1.00857.03 N ATOM 30183 C4 G B1460 -844.130 -59.433 177.542 1.00857.03 C ATOM 30184 P C B1461 -843.665 -61.002 183.558 1.00857.03 P ATOM 30185 O1P C B1461 -843.318 -60.735 184.976 1.00857.03 O ATOM 30186 O2P C B1461 -843.833 -62.402 183.095 1.00857.03 O ATOM 30187 O5* C B1461 -844.995 -60.196 183.210 1.00857.03 O ATOM 30188 C5* C B1461 -845.281 -58.954 183.845 1.00857.03 C ATOM 30189 C4* C B1461 -846.636 -58.440 183.413 1.00857.03 C ATOM 30190 O4* C B1461 -846.638 -58.198 181.981 1.00857.03 O ATOM 30191 C3* C B1461 -847.800 -59.382 183.651 1.00857.03 C ATOM 30192 O3* C B1461 -848.292 -59.225 184.978 1.00857.03 O ATOM 30193 C2* C B1461 -848.820 -58.942 182.606 1.00857.03 C ATOM 30194 O2* C B1461 -849.606 -57.852 183.040 1.00857.03 O ATOM 30195 C1* C B1461 -847.921 -58.487 181.450 1.00857.03 C ATOM 30196 N1 C B1461 -847.771 -59.487 180.384 1.00857.03 N ATOM 30197 C2 C B1461 -848.461 -59.293 179.179 1.00857.03 C ATOM 30198 O2 C B1461 -849.181 -58.293 179.054 1.00857.03 O ATOM 30199 N3 C B1461 -848.327 -60.203 178.185 1.00857.03 N ATOM 30200 C4 C B1461 -847.541 -61.269 178.360 1.00857.03 C ATOM 30201 N4 C B1461 -847.438 -62.138 177.353 1.00857.03 N ATOM 30202 C5 C B1461 -846.830 -61.492 179.577 1.00857.03 C ATOM 30203 C6 C B1461 -846.973 -60.584 180.550 1.00857.03 C ATOM 30204 P C B1462 -849.081 -60.434 185.681 1.00857.03 P ATOM 30205 O1P C B1462 -849.559 -59.945 186.999 1.00857.03 O ATOM 30206 O2P C B1462 -848.234 -61.653 185.613 1.00857.03 O ATOM 30207 O5* C B1462 -850.350 -60.657 184.744 1.00857.03 O ATOM 30208 C5* C B1462 -851.484 -59.797 184.841 1.00857.03 C ATOM 30209 C4* C B1462 -852.558 -60.238 183.873 1.00857.03 C ATOM 30210 O4* C B1462 -852.065 -60.120 182.514 1.00857.03 O ATOM 30211 C3* C B1462 -853.013 -61.683 183.921 1.00857.03 C ATOM 30212 O3* C B1462 -853.933 -61.898 184.982 1.00857.03 O ATOM 30213 C2* C B1462 -853.652 -61.895 182.553 1.00857.03 C ATOM 30214 O2* C B1462 -854.995 -61.460 182.508 1.00857.03 O ATOM 30215 C1* C B1462 -852.789 -60.997 181.666 1.00857.03 C ATOM 30216 N1 C B1462 -851.821 -61.776 180.872 1.00857.03 N ATOM 30217 C2 C B1462 -852.096 -62.020 179.525 1.00857.03 C ATOM 30218 O2 C B1462 -853.133 -61.556 179.030 1.00857.03 O ATOM 30219 N3 C B1462 -851.226 -62.751 178.794 1.00857.03 N ATOM 30220 C4 C B1462 -850.117 -63.232 179.359 1.00857.03 C ATOM 30221 N4 C B1462 -849.292 -63.955 178.601 1.00857.03 N ATOM 30222 C5 C B1462 -849.808 -62.990 180.731 1.00857.03 C ATOM 30223 C6 C B1462 -850.680 -62.264 181.442 1.00857.03 C ATOM 30224 P A B1463 -854.102 -63.375 185.588 1.00857.03 P ATOM 30225 O1P A B1463 -855.392 -63.423 186.323 1.00857.03 O ATOM 30226 O2P A B1463 -852.843 -63.739 186.286 1.00857.03 O ATOM 30227 O5* A B1463 -854.232 -64.296 184.296 1.00857.03 O ATOM 30228 C5* A B1463 -855.509 -64.696 183.808 1.00857.03 C ATOM 30229 C4* A B1463 -855.542 -64.608 182.303 1.00857.03 C ATOM 30230 O4* A B1463 -854.253 -64.996 181.759 1.00857.03 O ATOM 30231 C3* A B1463 -856.543 -65.480 181.583 1.00857.03 C ATOM 30232 O3* A B1463 -857.826 -64.867 181.566 1.00857.03 O ATOM 30233 C2* A B1463 -855.935 -65.629 180.194 1.00857.03 C ATOM 30234 O2* A B1463 -856.231 -64.532 179.350 1.00857.03 O ATOM 30235 C1* A B1463 -854.440 -65.647 180.515 1.00857.03 C ATOM 30236 N9 A B1463 -853.917 -67.006 180.632 1.00857.03 N ATOM 30237 C8 A B1463 -854.419 -68.037 181.387 1.00857.03 C ATOM 30238 N7 A B1463 -853.744 -69.154 181.276 1.00857.03 N ATOM 30239 C5 A B1463 -852.723 -68.838 180.391 1.00857.03 C ATOM 30240 C6 A B1463 -851.663 -69.595 179.862 1.00857.03 C ATOM 30241 N6 A B1463 -851.450 -70.880 180.155 1.00857.03 N ATOM 30242 N1 A B1463 -850.817 -68.981 179.009 1.00857.03 N ATOM 30243 C2 A B1463 -851.031 -67.690 178.712 1.00857.03 C ATOM 30244 N3 A B1463 -851.990 -66.874 179.144 1.00857.03 N ATOM 30245 C4 A B1463 -852.813 -67.518 179.991 1.00857.03 C ATOM 30246 P A B1464 -859.116 -65.734 181.966 1.00857.03 P ATOM 30247 O1P A B1464 -860.126 -64.804 182.532 1.00857.03 O ATOM 30248 O2P A B1464 -858.653 -66.889 182.774 1.00857.03 O ATOM 30249 O5* A B1464 -859.659 -66.285 180.576 1.00857.03 O ATOM 30250 C5* A B1464 -860.875 -65.799 180.014 1.00857.03 C ATOM 30251 C4* A B1464 -861.171 -66.534 178.731 1.00857.03 C ATOM 30252 O4* A B1464 -860.057 -66.369 177.816 1.00857.03 O ATOM 30253 C3* A B1464 -861.389 -68.042 178.804 1.00857.03 C ATOM 30254 O3* A B1464 -862.713 -68.392 179.194 1.00857.03 O ATOM 30255 C2* A B1464 -861.036 -68.504 177.396 1.00857.03 C ATOM 30256 O2* A B1464 -862.112 -68.372 176.493 1.00857.03 O ATOM 30257 C1* A B1464 -859.918 -67.526 177.013 1.00857.03 C ATOM 30258 N9 A B1464 -858.569 -68.046 177.220 1.00857.03 N ATOM 30259 C8 A B1464 -857.718 -67.768 178.263 1.00857.03 C ATOM 30260 N7 A B1464 -856.553 -68.359 178.169 1.00857.03 N ATOM 30261 C5 A B1464 -856.638 -69.080 176.987 1.00857.03 C ATOM 30262 C6 A B1464 -855.726 -69.918 176.321 1.00857.03 C ATOM 30263 N6 A B1464 -854.496 -70.175 176.770 1.00857.03 N ATOM 30264 N1 A B1464 -856.128 -70.487 175.164 1.00857.03 N ATOM 30265 C2 A B1464 -857.360 -70.221 174.712 1.00857.03 C ATOM 30266 N3 A B1464 -858.305 -69.450 175.245 1.00857.03 N ATOM 30267 C4 A B1464 -857.878 -68.902 176.394 1.00857.03 C ATOM 30268 P G B1465 -863.076 -69.931 179.475 1.00857.03 P ATOM 30269 O1P G B1465 -863.273 -70.586 178.157 1.00857.03 O ATOM 30270 O2P G B1465 -864.159 -69.986 180.490 1.00857.03 O ATOM 30271 O5* G B1465 -861.745 -70.514 180.124 1.00857.03 O ATOM 30272 C5* G B1465 -861.489 -71.914 180.138 1.00857.03 C ATOM 30273 C4* G B1465 -860.526 -72.269 179.033 1.00857.03 C ATOM 30274 O4* G B1465 -859.211 -71.754 179.331 1.00857.03 O ATOM 30275 C3* G B1465 -860.269 -73.759 178.815 1.00857.03 C ATOM 30276 O3* G B1465 -861.303 -74.341 178.026 1.00857.03 O ATOM 30277 C2* G B1465 -858.910 -73.790 178.113 1.00857.03 C ATOM 30278 O2* G B1465 -859.024 -73.685 176.709 1.00857.03 O ATOM 30279 C1* G B1465 -858.233 -72.530 178.660 1.00857.03 C ATOM 30280 N9 G B1465 -857.117 -72.752 179.574 1.00857.03 N ATOM 30281 C8 G B1465 -857.043 -72.382 180.897 1.00857.03 C ATOM 30282 N7 G B1465 -855.899 -72.676 181.448 1.00857.03 N ATOM 30283 C5 G B1465 -855.171 -73.285 180.434 1.00857.03 C ATOM 30284 C6 G B1465 -853.851 -73.812 180.438 1.00857.03 C ATOM 30285 O6 G B1465 -853.029 -73.843 181.362 1.00857.03 O ATOM 30286 N1 G B1465 -853.511 -74.345 179.197 1.00857.03 N ATOM 30287 C2 G B1465 -854.330 -74.365 178.095 1.00857.03 C ATOM 30288 N2 G B1465 -853.816 -74.928 176.990 1.00857.03 N ATOM 30289 N3 G B1465 -855.557 -73.868 178.078 1.00857.03 N ATOM 30290 C4 G B1465 -855.911 -73.349 179.274 1.00857.03 C ATOM 30291 P C B1466 -861.469 -75.939 177.971 1.00857.03 P ATOM 30292 O1P C B1466 -862.704 -76.231 177.206 1.00857.03 O ATOM 30293 O2P C B1466 -861.306 -76.484 179.344 1.00857.03 O ATOM 30294 O5* C B1466 -860.224 -76.405 177.098 1.00857.03 O ATOM 30295 C5* C B1466 -859.800 -77.759 177.086 1.00857.03 C ATOM 30296 C4* C B1466 -858.615 -77.909 176.170 1.00857.03 C ATOM 30297 O4* C B1466 -857.561 -77.025 176.622 1.00857.03 O ATOM 30298 C3* C B1466 -857.976 -79.276 176.162 1.00857.03 C ATOM 30299 O3* C B1466 -858.675 -80.120 175.249 1.00857.03 O ATOM 30300 C2* C B1466 -856.545 -78.983 175.725 1.00857.03 C ATOM 30301 O2* C B1466 -856.409 -78.912 174.318 1.00857.03 O ATOM 30302 C1* C B1466 -856.302 -77.595 176.328 1.00857.03 C ATOM 30303 N1 C B1466 -855.526 -77.585 177.579 1.00857.03 N ATOM 30304 C2 C B1466 -854.174 -77.935 177.554 1.00857.03 C ATOM 30305 O2 C B1466 -853.652 -78.251 176.474 1.00857.03 O ATOM 30306 N3 C B1466 -853.466 -77.914 178.710 1.00857.03 N ATOM 30307 C4 C B1466 -854.062 -77.568 179.852 1.00857.03 C ATOM 30308 N4 C B1466 -853.326 -77.556 180.964 1.00857.03 N ATOM 30309 C5 C B1466 -855.441 -77.212 179.904 1.00857.03 C ATOM 30310 C6 C B1466 -856.125 -77.237 178.755 1.00857.03 C ATOM 30311 P U B1467 -859.697 -81.233 175.803 1.00857.03 P ATOM 30312 O1P U B1467 -861.041 -80.601 175.871 1.00857.03 O ATOM 30313 O2P U B1467 -859.110 -81.843 177.025 1.00857.03 O ATOM 30314 O5* U B1467 -859.726 -82.325 174.646 1.00857.03 O ATOM 30315 C5* U B1467 -860.369 -82.037 173.410 1.00857.03 C ATOM 30316 C4* U B1467 -859.384 -82.147 172.273 1.00857.03 C ATOM 30317 O4* U B1467 -858.332 -81.175 172.502 1.00857.03 O ATOM 30318 C3* U B1467 -858.642 -83.460 172.157 1.00857.03 C ATOM 30319 O3* U B1467 -859.397 -84.407 171.416 1.00857.03 O ATOM 30320 C2* U B1467 -857.359 -83.067 171.439 1.00857.03 C ATOM 30321 O2* U B1467 -857.540 -82.959 170.040 1.00857.03 O ATOM 30322 C1* U B1467 -857.098 -81.674 172.019 1.00857.03 C ATOM 30323 N1 U B1467 -856.153 -81.694 173.145 1.00857.03 N ATOM 30324 C2 U B1467 -854.899 -81.154 172.942 1.00857.03 C ATOM 30325 O2 U B1467 -854.553 -80.661 171.883 1.00857.03 O ATOM 30326 N3 U B1467 -854.064 -81.208 174.032 1.00857.03 N ATOM 30327 C4 U B1467 -854.351 -81.738 175.276 1.00857.03 C ATOM 30328 O4 U B1467 -853.493 -81.720 176.154 1.00857.03 O ATOM 30329 C5 U B1467 -855.673 -82.274 175.403 1.00857.03 C ATOM 30330 C6 U B1467 -856.503 -82.234 174.360 1.00857.03 C ATOM 30331 P A B1468 -858.856 -85.915 171.256 1.00857.03 P ATOM 30332 O1P A B1468 -857.499 -85.981 171.847 1.00857.03 O ATOM 30333 O2P A B1468 -859.063 -86.305 169.842 1.00857.03 O ATOM 30334 O5* A B1468 -859.841 -86.791 172.153 1.00857.03 O ATOM 30335 C5* A B1468 -859.561 -87.078 173.528 1.00857.03 C ATOM 30336 C4* A B1468 -859.322 -88.558 173.698 1.00857.03 C ATOM 30337 O4* A B1468 -860.377 -89.258 172.987 1.00857.03 O ATOM 30338 C3* A B1468 -858.048 -89.094 173.096 1.00857.03 C ATOM 30339 O3* A B1468 -857.006 -88.975 174.061 1.00857.03 O ATOM 30340 C2* A B1468 -858.389 -90.548 172.792 1.00857.03 C ATOM 30341 O2* A B1468 -858.261 -91.388 173.921 1.00857.03 O ATOM 30342 C1* A B1468 -859.862 -90.435 172.394 1.00857.03 C ATOM 30343 N9 A B1468 -860.017 -90.296 170.949 1.00857.03 N ATOM 30344 C8 A B1468 -859.975 -89.131 170.225 1.00857.03 C ATOM 30345 N7 A B1468 -860.111 -89.307 168.935 1.00857.03 N ATOM 30346 C5 A B1468 -860.258 -90.680 168.800 1.00857.03 C ATOM 30347 C6 A B1468 -860.431 -91.500 167.682 1.00857.03 C ATOM 30348 N6 A B1468 -860.484 -91.045 166.428 1.00857.03 N ATOM 30349 N1 A B1468 -860.547 -92.831 167.891 1.00857.03 N ATOM 30350 C2 A B1468 -860.492 -93.289 169.148 1.00857.03 C ATOM 30351 N3 A B1468 -860.326 -92.617 170.281 1.00857.03 N ATOM 30352 C4 A B1468 -860.213 -91.300 170.034 1.00857.03 C ATOM 30353 P U B1469 -855.524 -88.563 173.593 1.00857.03 P ATOM 30354 O1P U B1469 -854.576 -89.477 174.279 1.00857.03 O ATOM 30355 O2P U B1469 -855.377 -87.095 173.758 1.00857.03 O ATOM 30356 O5* U B1469 -855.489 -88.903 172.035 1.00857.03 O ATOM 30357 C5* U B1469 -855.393 -87.867 171.060 1.00857.03 C ATOM 30358 C4* U B1469 -856.267 -88.196 169.871 1.00857.03 C ATOM 30359 O4* U B1469 -856.181 -87.146 168.882 1.00857.03 O ATOM 30360 C3* U B1469 -855.862 -89.467 169.144 1.00857.03 C ATOM 30361 O3* U B1469 -856.476 -90.598 169.757 1.00857.03 O ATOM 30362 C2* U B1469 -856.394 -89.234 167.729 1.00857.03 C ATOM 30363 O2* U B1469 -857.745 -89.625 167.591 1.00857.03 O ATOM 30364 C1* U B1469 -856.309 -87.711 167.596 1.00857.03 C ATOM 30365 N1 U B1469 -855.245 -87.173 166.731 1.00857.03 N ATOM 30366 C2 U B1469 -855.364 -87.371 165.367 1.00857.03 C ATOM 30367 O2 U B1469 -856.267 -88.015 164.868 1.00857.03 O ATOM 30368 N3 U B1469 -854.383 -86.778 164.613 1.00857.03 N ATOM 30369 C4 U B1469 -853.317 -86.034 165.073 1.00857.03 C ATOM 30370 O4 U B1469 -852.576 -85.475 164.262 1.00857.03 O ATOM 30371 C5 U B1469 -853.241 -85.914 166.493 1.00857.03 C ATOM 30372 C6 U B1469 -854.182 -86.474 167.255 1.00857.03 C ATOM 30373 P G B1470 -855.704 -92.005 169.817 1.00857.03 P ATOM 30374 O1P G B1470 -855.485 -92.463 168.421 1.00857.03 O ATOM 30375 O2P G B1470 -856.432 -92.882 170.769 1.00857.03 O ATOM 30376 O5* G B1470 -854.291 -91.657 170.461 1.00857.03 O ATOM 30377 C5* G B1470 -853.482 -92.683 171.027 1.00857.03 C ATOM 30378 C4* G B1470 -852.038 -92.501 170.623 1.00857.03 C ATOM 30379 O4* G B1470 -851.967 -91.695 169.421 1.00857.03 O ATOM 30380 C3* G B1470 -851.125 -91.792 171.615 1.00857.03 C ATOM 30381 O3* G B1470 -850.629 -92.666 172.625 1.00857.03 O ATOM 30382 C2* G B1470 -850.013 -91.263 170.719 1.00857.03 C ATOM 30383 O2* G B1470 -849.030 -92.241 170.444 1.00857.03 O ATOM 30384 C1* G B1470 -850.780 -90.925 169.436 1.00857.03 C ATOM 30385 N9 G B1470 -851.141 -89.516 169.363 1.00857.03 N ATOM 30386 C8 G B1470 -852.367 -88.957 169.647 1.00857.03 C ATOM 30387 N7 G B1470 -852.383 -87.661 169.507 1.00857.03 N ATOM 30388 C5 G B1470 -851.093 -87.342 169.103 1.00857.03 C ATOM 30389 C6 G B1470 -850.509 -86.088 168.796 1.00857.03 C ATOM 30390 O6 G B1470 -851.030 -84.965 168.828 1.00857.03 O ATOM 30391 N1 G B1470 -849.174 -86.222 168.423 1.00857.03 N ATOM 30392 C2 G B1470 -848.489 -87.410 168.357 1.00857.03 C ATOM 30393 N2 G B1470 -847.206 -87.333 167.974 1.00857.03 N ATOM 30394 N3 G B1470 -849.021 -88.584 168.642 1.00857.03 N ATOM 30395 C4 G B1470 -850.316 -88.479 169.004 1.00857.03 C ATOM 30396 P G B1471 -850.237 -92.075 174.068 1.00857.03 P ATOM 30397 O1P G B1471 -849.090 -92.868 174.575 1.00857.03 O ATOM 30398 O2P G B1471 -851.473 -91.969 174.880 1.00857.03 O ATOM 30399 O5* G B1471 -849.716 -90.601 173.753 1.00857.03 O ATOM 30400 C5* G B1471 -848.345 -90.362 173.464 1.00857.03 C ATOM 30401 C4* G B1471 -848.059 -88.876 173.449 1.00857.03 C ATOM 30402 O4* G B1471 -848.770 -88.260 172.339 1.00857.03 O ATOM 30403 C3* G B1471 -848.586 -88.119 174.639 1.00857.03 C ATOM 30404 O3* G B1471 -847.704 -88.241 175.746 1.00857.03 O ATOM 30405 C2* G B1471 -848.686 -86.692 174.120 1.00857.03 C ATOM 30406 O2* G B1471 -847.447 -86.010 174.156 1.00857.03 O ATOM 30407 C1* G B1471 -849.119 -86.926 172.676 1.00857.03 C ATOM 30408 N9 G B1471 -850.567 -86.802 172.586 1.00857.03 N ATOM 30409 C8 G B1471 -851.497 -87.796 172.774 1.00857.03 C ATOM 30410 N7 G B1471 -852.725 -87.367 172.699 1.00857.03 N ATOM 30411 C5 G B1471 -852.604 -86.011 172.433 1.00857.03 C ATOM 30412 C6 G B1471 -853.599 -85.017 172.257 1.00857.03 C ATOM 30413 O6 G B1471 -854.828 -85.137 172.317 1.00857.03 O ATOM 30414 N1 G B1471 -853.034 -83.772 171.995 1.00857.03 N ATOM 30415 C2 G B1471 -851.689 -83.517 171.915 1.00857.03 C ATOM 30416 N2 G B1471 -851.345 -82.248 171.645 1.00857.03 N ATOM 30417 N3 G B1471 -850.751 -84.433 172.089 1.00857.03 N ATOM 30418 C4 G B1471 -851.277 -85.649 172.341 1.00857.03 C ATOM 30419 P C B1472 -848.308 -88.227 177.234 1.00857.03 P ATOM 30420 O1P C B1472 -847.525 -89.183 178.058 1.00857.03 O ATOM 30421 O2P C B1472 -849.781 -88.384 177.133 1.00857.03 O ATOM 30422 O5* C B1472 -848.009 -86.750 177.754 1.00857.03 O ATOM 30423 C5* C B1472 -846.885 -86.027 177.268 1.00857.03 C ATOM 30424 C4* C B1472 -847.222 -84.563 177.113 1.00857.03 C ATOM 30425 O4* C B1472 -848.409 -84.413 176.291 1.00857.03 O ATOM 30426 C3* C B1472 -847.538 -83.836 178.399 1.00857.03 C ATOM 30427 O3* C B1472 -846.329 -83.392 179.003 1.00857.03 O ATOM 30428 C2* C B1472 -848.413 -82.675 177.926 1.00857.03 C ATOM 30429 O2* C B1472 -847.648 -81.581 177.453 1.00857.03 O ATOM 30430 C1* C B1472 -849.160 -83.300 176.745 1.00857.03 C ATOM 30431 N1 C B1472 -850.518 -83.755 177.086 1.00857.03 N ATOM 30432 C2 C B1472 -851.457 -83.891 176.058 1.00857.03 C ATOM 30433 O2 C B1472 -851.117 -83.633 174.894 1.00857.03 O ATOM 30434 N3 C B1472 -852.713 -84.303 176.358 1.00857.03 N ATOM 30435 C4 C B1472 -853.039 -84.573 177.625 1.00857.03 C ATOM 30436 N4 C B1472 -854.286 -84.971 177.875 1.00857.03 N ATOM 30437 C5 C B1472 -852.099 -84.447 178.690 1.00857.03 C ATOM 30438 C6 C B1472 -850.861 -84.041 178.378 1.00857.03 C ATOM 30439 P U B1473 -846.310 -83.017 180.568 1.00857.03 P ATOM 30440 O1P U B1473 -844.995 -82.392 180.853 1.00857.03 O ATOM 30441 O2P U B1473 -846.734 -84.219 181.336 1.00857.03 O ATOM 30442 O5* U B1473 -847.448 -81.912 180.713 1.00857.03 O ATOM 30443 C5* U B1473 -847.972 -81.590 181.992 1.00857.03 C ATOM 30444 C4* U B1473 -848.959 -80.450 181.884 1.00857.03 C ATOM 30445 O4* U B1473 -849.984 -80.798 180.922 1.00857.03 O ATOM 30446 C3* U B1473 -849.714 -80.091 183.155 1.00857.03 C ATOM 30447 O3* U B1473 -848.986 -79.152 183.943 1.00857.03 O ATOM 30448 C2* U B1473 -850.984 -79.437 182.616 1.00857.03 C ATOM 30449 O2* U B1473 -850.807 -78.066 182.334 1.00857.03 O ATOM 30450 C1* U B1473 -851.198 -80.183 181.293 1.00857.03 C ATOM 30451 N1 U B1473 -852.276 -81.185 181.305 1.00857.03 N ATOM 30452 C2 U B1473 -853.057 -81.274 180.171 1.00857.03 C ATOM 30453 O2 U B1473 -852.876 -80.574 179.188 1.00857.03 O ATOM 30454 N3 U B1473 -854.058 -82.212 180.227 1.00857.03 N ATOM 30455 C4 U B1473 -854.348 -83.055 181.278 1.00857.03 C ATOM 30456 O4 U B1473 -855.292 -83.837 181.182 1.00857.03 O ATOM 30457 C5 U B1473 -853.487 -82.906 182.414 1.00857.03 C ATOM 30458 C6 U B1473 -852.504 -81.997 182.390 1.00857.03 C ATOM 30459 P A B1474 -848.273 -79.617 185.306 1.00857.03 P ATOM 30460 O1P A B1474 -848.240 -81.103 185.320 1.00857.03 O ATOM 30461 O2P A B1474 -848.912 -78.888 186.432 1.00857.03 O ATOM 30462 O5* A B1474 -846.784 -79.080 185.146 1.00857.03 O ATOM 30463 C5* A B1474 -845.872 -79.702 184.244 1.00857.03 C ATOM 30464 C4* A B1474 -845.567 -78.779 183.088 1.00857.03 C ATOM 30465 O4* A B1474 -846.809 -78.257 182.543 1.00857.03 O ATOM 30466 C3* A B1474 -844.793 -77.524 183.408 1.00857.03 C ATOM 30467 O3* A B1474 -843.409 -77.845 183.460 1.00857.03 O ATOM 30468 C2* A B1474 -845.132 -76.584 182.255 1.00857.03 C ATOM 30469 O2* A B1474 -844.313 -76.792 181.122 1.00857.03 O ATOM 30470 C1* A B1474 -846.572 -76.997 181.932 1.00857.03 C ATOM 30471 N9 A B1474 -847.564 -76.046 182.434 1.00857.03 N ATOM 30472 C8 A B1474 -848.359 -75.204 181.697 1.00857.03 C ATOM 30473 N7 A B1474 -849.161 -74.464 182.423 1.00857.03 N ATOM 30474 C5 A B1474 -848.874 -74.839 183.726 1.00857.03 C ATOM 30475 C6 A B1474 -849.390 -74.422 184.966 1.00857.03 C ATOM 30476 N6 A B1474 -850.343 -73.499 185.099 1.00857.03 N ATOM 30477 N1 A B1474 -848.883 -74.995 186.081 1.00857.03 N ATOM 30478 C2 A B1474 -847.929 -75.923 185.948 1.00857.03 C ATOM 30479 N3 A B1474 -847.371 -76.401 184.839 1.00857.03 N ATOM 30480 C4 A B1474 -847.890 -75.810 183.751 1.00857.03 C ATOM 30481 P U B1475 -842.421 -76.940 184.351 1.00857.03 P ATOM 30482 O1P U B1475 -841.121 -77.645 184.444 1.00857.03 O ATOM 30483 O2P U B1475 -843.141 -76.566 185.598 1.00857.03 O ATOM 30484 O5* U B1475 -842.216 -75.622 183.485 1.00857.03 O ATOM 30485 C5* U B1475 -841.612 -75.685 182.198 1.00857.03 C ATOM 30486 C4* U B1475 -841.705 -74.344 181.509 1.00857.03 C ATOM 30487 O4* U B1475 -840.930 -73.366 182.248 1.00857.03 O ATOM 30488 C3* U B1475 -841.157 -74.264 180.097 1.00857.03 C ATOM 30489 O3* U B1475 -842.107 -74.731 179.144 1.00857.03 O ATOM 30490 C2* U B1475 -840.845 -72.781 179.940 1.00857.03 C ATOM 30491 O2* U B1475 -841.993 -72.035 179.611 1.00857.03 O ATOM 30492 C1* U B1475 -840.396 -72.406 181.356 1.00857.03 C ATOM 30493 N1 U B1475 -838.937 -72.387 181.517 1.00857.03 N ATOM 30494 C2 U B1475 -838.288 -71.177 181.360 1.00857.03 C ATOM 30495 O2 U B1475 -838.874 -70.142 181.096 1.00857.03 O ATOM 30496 N3 U B1475 -836.926 -71.225 181.527 1.00857.03 N ATOM 30497 C4 U B1475 -836.165 -72.338 181.823 1.00857.03 C ATOM 30498 O4 U B1475 -834.944 -72.218 181.953 1.00857.03 O ATOM 30499 C5 U B1475 -836.910 -73.549 181.967 1.00857.03 C ATOM 30500 C6 U B1475 -838.238 -73.533 181.813 1.00857.03 C ATOM 30501 P G B1476 -841.588 -75.439 177.799 1.00857.03 P ATOM 30502 O1P G B1476 -840.918 -76.704 178.195 1.00857.03 O ATOM 30503 O2P G B1476 -840.841 -74.433 177.004 1.00857.03 O ATOM 30504 O5* G B1476 -842.909 -75.820 176.997 1.00857.03 O ATOM 30505 C5* G B1476 -842.836 -76.678 175.864 1.00857.03 C ATOM 30506 C4* G B1476 -844.153 -76.704 175.130 1.00857.03 C ATOM 30507 O4* G B1476 -845.187 -77.285 175.961 1.00857.03 O ATOM 30508 C3* G B1476 -844.758 -75.373 174.727 1.00857.03 C ATOM 30509 O3* G B1476 -844.132 -74.887 173.549 1.00857.03 O ATOM 30510 C2* G B1476 -846.234 -75.696 174.521 1.00857.03 C ATOM 30511 O2* G B1476 -846.517 -76.157 173.217 1.00857.03 O ATOM 30512 C1* G B1476 -846.457 -76.834 175.518 1.00857.03 C ATOM 30513 N9 G B1476 -847.256 -76.459 176.678 1.00857.03 N ATOM 30514 C8 G B1476 -846.993 -75.473 177.597 1.00857.03 C ATOM 30515 N7 G B1476 -847.901 -75.388 178.535 1.00857.03 N ATOM 30516 C5 G B1476 -848.819 -76.379 178.213 1.00857.03 C ATOM 30517 C6 G B1476 -850.021 -76.768 178.864 1.00857.03 C ATOM 30518 O6 G B1476 -850.527 -76.306 179.892 1.00857.03 O ATOM 30519 N1 G B1476 -850.645 -77.818 178.196 1.00857.03 N ATOM 30520 C2 G B1476 -850.178 -78.420 177.053 1.00857.03 C ATOM 30521 N2 G B1476 -850.925 -79.413 176.556 1.00857.03 N ATOM 30522 N3 G B1476 -849.061 -78.064 176.439 1.00857.03 N ATOM 30523 C4 G B1476 -848.438 -77.046 177.067 1.00857.03 C ATOM 30524 P C B1477 -844.329 -73.356 173.120 1.00857.03 P ATOM 30525 O1P C B1477 -843.516 -73.124 171.895 1.00857.03 O ATOM 30526 O2P C B1477 -844.117 -72.499 174.314 1.00857.03 O ATOM 30527 O5* C B1477 -845.866 -73.282 172.722 1.00857.03 O ATOM 30528 C5* C B1477 -846.618 -72.106 172.951 1.00857.03 C ATOM 30529 C4* C B1477 -848.090 -72.431 172.972 1.00857.03 C ATOM 30530 O4* C B1477 -848.390 -73.322 174.078 1.00857.03 O ATOM 30531 C3* C B1477 -849.034 -71.266 173.219 1.00857.03 C ATOM 30532 O3* C B1477 -849.235 -70.534 172.020 1.00857.03 O ATOM 30533 C2* C B1477 -850.304 -71.930 173.738 1.00857.03 C ATOM 30534 O2* C B1477 -851.159 -72.357 172.695 1.00857.03 O ATOM 30535 C1* C B1477 -849.745 -73.161 174.463 1.00857.03 C ATOM 30536 N1 C B1477 -849.806 -73.090 175.932 1.00857.03 N ATOM 30537 C2 C B1477 -850.654 -73.973 176.612 1.00857.03 C ATOM 30538 O2 C B1477 -851.350 -74.763 175.958 1.00857.03 O ATOM 30539 N3 C B1477 -850.698 -73.938 177.963 1.00857.03 N ATOM 30540 C4 C B1477 -849.943 -73.065 178.634 1.00857.03 C ATOM 30541 N4 C B1477 -850.012 -73.079 179.970 1.00857.03 N ATOM 30542 C5 C B1477 -849.080 -72.149 177.969 1.00857.03 C ATOM 30543 C6 C B1477 -849.043 -72.194 176.628 1.00857.03 C ATOM 30544 P U B1478 -849.303 -68.935 172.075 1.00857.03 P ATOM 30545 O1P U B1478 -848.173 -68.405 171.270 1.00857.03 O ATOM 30546 O2P U B1478 -849.450 -68.519 173.494 1.00857.03 O ATOM 30547 O5* U B1478 -850.660 -68.612 171.316 1.00857.03 O ATOM 30548 C5* U B1478 -850.920 -69.168 170.034 1.00857.03 C ATOM 30549 C4* U B1478 -852.372 -68.999 169.692 1.00857.03 C ATOM 30550 O4* U B1478 -853.209 -69.496 170.767 1.00857.03 O ATOM 30551 C3* U B1478 -852.874 -67.585 169.429 1.00857.03 C ATOM 30552 O3* U B1478 -852.548 -67.157 168.115 1.00857.03 O ATOM 30553 C2* U B1478 -854.370 -67.713 169.690 1.00857.03 C ATOM 30554 O2* U B1478 -855.077 -68.228 168.578 1.00857.03 O ATOM 30555 C1* U B1478 -854.400 -68.730 170.835 1.00857.03 C ATOM 30556 N1 U B1478 -854.479 -68.115 172.166 1.00857.03 N ATOM 30557 C2 U B1478 -855.733 -67.891 172.698 1.00857.03 C ATOM 30558 O2 U B1478 -856.762 -68.173 172.111 1.00857.03 O ATOM 30559 N3 U B1478 -855.739 -67.316 173.947 1.00857.03 N ATOM 30560 C4 U B1478 -854.642 -66.955 174.700 1.00857.03 C ATOM 30561 O4 U B1478 -854.811 -66.451 175.812 1.00857.03 O ATOM 30562 C5 U B1478 -853.380 -67.215 174.080 1.00857.03 C ATOM 30563 C6 U B1478 -853.343 -67.774 172.865 1.00857.03 C ATOM 30564 P G B1479 -852.131 -65.629 167.865 1.00857.03 P ATOM 30565 O1P G B1479 -852.588 -65.251 166.502 1.00857.03 O ATOM 30566 O2P G B1479 -850.702 -65.461 168.232 1.00857.03 O ATOM 30567 O5* G B1479 -853.019 -64.841 168.922 1.00857.03 O ATOM 30568 C5* G B1479 -854.377 -64.547 168.629 1.00857.03 C ATOM 30569 C4* G B1479 -854.956 -63.622 169.668 1.00857.03 C ATOM 30570 O4* G B1479 -854.793 -64.168 171.000 1.00857.03 O ATOM 30571 C3* G B1479 -854.298 -62.258 169.714 1.00857.03 C ATOM 30572 O3* G B1479 -854.854 -61.395 168.735 1.00857.03 O ATOM 30573 C2* G B1479 -854.595 -61.797 171.136 1.00857.03 C ATOM 30574 O2* G B1479 -855.888 -61.234 171.263 1.00857.03 O ATOM 30575 C1* G B1479 -854.542 -63.115 171.915 1.00857.03 C ATOM 30576 N9 G B1479 -853.246 -63.332 172.555 1.00857.03 N ATOM 30577 C8 G B1479 -852.016 -63.427 171.949 1.00857.03 C ATOM 30578 N7 G B1479 -851.041 -63.611 172.796 1.00857.03 N ATOM 30579 C5 G B1479 -851.663 -63.642 174.038 1.00857.03 C ATOM 30580 C6 G B1479 -851.118 -63.809 175.342 1.00857.03 C ATOM 30581 O6 G B1479 -849.937 -63.976 175.677 1.00857.03 O ATOM 30582 N1 G B1479 -852.109 -63.776 176.317 1.00857.03 N ATOM 30583 C2 G B1479 -853.450 -63.600 176.076 1.00857.03 C ATOM 30584 N2 G B1479 -854.247 -63.583 177.151 1.00857.03 N ATOM 30585 N3 G B1479 -853.968 -63.445 174.867 1.00857.03 N ATOM 30586 C4 G B1479 -853.023 -63.477 173.904 1.00857.03 C ATOM 30587 P G B1480 -853.995 -60.151 168.198 1.00857.03 P ATOM 30588 O1P G B1480 -854.766 -59.504 167.106 1.00857.03 O ATOM 30589 O2P G B1480 -852.606 -60.611 167.943 1.00857.03 O ATOM 30590 O5* G B1480 -853.968 -59.159 169.443 1.00857.03 O ATOM 30591 C5* G B1480 -855.139 -58.438 169.809 1.00857.03 C ATOM 30592 C4* G B1480 -855.009 -57.899 171.214 1.00857.03 C ATOM 30593 O4* G B1480 -854.757 -58.994 172.141 1.00857.03 O ATOM 30594 C3* G B1480 -853.878 -56.947 171.495 1.00857.03 C ATOM 30595 O3* G B1480 -854.230 -55.647 171.042 1.00857.03 O ATOM 30596 C2* G B1480 -853.732 -57.033 173.005 1.00857.03 C ATOM 30597 O2* G B1480 -854.680 -56.244 173.694 1.00857.03 O ATOM 30598 C1* G B1480 -854.008 -58.515 173.248 1.00857.03 C ATOM 30599 N9 G B1480 -852.746 -59.247 173.296 1.00857.03 N ATOM 30600 C8 G B1480 -852.037 -59.758 172.235 1.00857.03 C ATOM 30601 N7 G B1480 -850.921 -60.327 172.592 1.00857.03 N ATOM 30602 C5 G B1480 -850.892 -60.193 173.975 1.00857.03 C ATOM 30603 C6 G B1480 -849.918 -60.610 174.919 1.00857.03 C ATOM 30604 O6 G B1480 -848.851 -61.206 174.717 1.00857.03 O ATOM 30605 N1 G B1480 -850.286 -60.271 176.215 1.00857.03 N ATOM 30606 C2 G B1480 -851.438 -59.610 176.562 1.00857.03 C ATOM 30607 N2 G B1480 -851.613 -59.375 177.869 1.00857.03 N ATOM 30608 N3 G B1480 -852.351 -59.210 175.691 1.00857.03 N ATOM 30609 C4 G B1480 -852.017 -59.532 174.425 1.00857.03 C ATOM 30610 P U B1481 -853.082 -54.524 170.926 1.00857.03 P ATOM 30611 O1P U B1481 -853.703 -53.303 170.357 1.00857.03 O ATOM 30612 O2P U B1481 -851.912 -55.138 170.249 1.00857.03 O ATOM 30613 O5* U B1481 -852.680 -54.231 172.441 1.00857.03 O ATOM 30614 C5* U B1481 -853.447 -53.323 173.227 1.00857.03 C ATOM 30615 C4* U B1481 -852.636 -52.793 174.387 1.00857.03 C ATOM 30616 O4* U B1481 -852.206 -53.880 175.254 1.00857.03 O ATOM 30617 C3* U B1481 -851.366 -52.088 173.947 1.00857.03 C ATOM 30618 O3* U B1481 -851.621 -50.712 173.702 1.00857.03 O ATOM 30619 C2* U B1481 -850.448 -52.266 175.150 1.00857.03 C ATOM 30620 O2* U B1481 -850.671 -51.297 176.153 1.00857.03 O ATOM 30621 C1* U B1481 -850.871 -53.641 175.675 1.00857.03 C ATOM 30622 N1 U B1481 -849.999 -54.716 175.183 1.00857.03 N ATOM 30623 C2 U B1481 -848.841 -54.955 175.896 1.00857.03 C ATOM 30624 O2 U B1481 -848.544 -54.330 176.900 1.00857.03 O ATOM 30625 N3 U B1481 -848.041 -55.950 175.392 1.00857.03 N ATOM 30626 C4 U B1481 -848.281 -56.716 174.269 1.00857.03 C ATOM 30627 O4 U B1481 -847.452 -57.560 173.928 1.00857.03 O ATOM 30628 C5 U B1481 -849.506 -56.417 173.592 1.00857.03 C ATOM 30629 C6 U B1481 -850.305 -55.451 174.063 1.00857.03 C ATOM 30630 P U B1482 -851.043 -50.027 172.370 1.00857.03 P ATOM 30631 O1P U B1482 -852.185 -49.856 171.432 1.00857.03 O ATOM 30632 O2P U B1482 -849.845 -50.787 171.933 1.00857.03 O ATOM 30633 O5* U B1482 -850.580 -48.583 172.852 1.00857.03 O ATOM 30634 C5* U B1482 -849.789 -47.751 172.011 1.00857.03 C ATOM 30635 C4* U B1482 -849.668 -46.376 172.621 1.00857.03 C ATOM 30636 O4* U B1482 -849.050 -46.487 173.927 1.00857.03 O ATOM 30637 C3* U B1482 -848.793 -45.381 171.866 1.00857.03 C ATOM 30638 O3* U B1482 -849.522 -44.716 170.841 1.00857.03 O ATOM 30639 C2* U B1482 -848.371 -44.413 172.965 1.00857.03 C ATOM 30640 O2* U B1482 -849.340 -43.414 173.210 1.00857.03 O ATOM 30641 C1* U B1482 -848.269 -45.333 174.182 1.00857.03 C ATOM 30642 N1 U B1482 -846.899 -45.761 174.491 1.00857.03 N ATOM 30643 C2 U B1482 -846.118 -44.905 175.248 1.00857.03 C ATOM 30644 O2 U B1482 -846.525 -43.832 175.659 1.00857.03 O ATOM 30645 N3 U B1482 -844.844 -45.353 175.503 1.00857.03 N ATOM 30646 C4 U B1482 -844.286 -46.544 175.087 1.00857.03 C ATOM 30647 O4 U B1482 -843.125 -46.809 175.400 1.00857.03 O ATOM 30648 C5 U B1482 -845.158 -47.375 174.312 1.00857.03 C ATOM 30649 C6 U B1482 -846.402 -46.964 174.048 1.00857.03 C ATOM 30650 P G B1483 -848.746 -44.142 169.560 1.00857.03 P ATOM 30651 O1P G B1483 -849.666 -44.255 168.399 1.00857.03 O ATOM 30652 O2P G B1483 -847.406 -44.777 169.496 1.00857.03 O ATOM 30653 O5* G B1483 -848.550 -42.590 169.879 1.00857.03 O ATOM 30654 C5* G B1483 -848.500 -41.631 168.827 1.00857.03 C ATOM 30655 C4* G B1483 -849.179 -40.344 169.245 1.00857.03 C ATOM 30656 O4* G B1483 -850.426 -40.636 169.928 1.00857.03 O ATOM 30657 C3* G B1483 -848.415 -39.433 170.198 1.00857.03 C ATOM 30658 O3* G B1483 -847.507 -38.605 169.482 1.00857.03 O ATOM 30659 C2* G B1483 -849.534 -38.621 170.846 1.00857.03 C ATOM 30660 O2* G B1483 -849.929 -37.515 170.059 1.00857.03 O ATOM 30661 C1* G B1483 -850.674 -39.640 170.907 1.00857.03 C ATOM 30662 N9 G B1483 -850.780 -40.283 172.211 1.00857.03 N ATOM 30663 C8 G B1483 -849.791 -40.426 173.150 1.00857.03 C ATOM 30664 N7 G B1483 -850.194 -41.043 174.228 1.00857.03 N ATOM 30665 C5 G B1483 -851.531 -41.326 173.984 1.00857.03 C ATOM 30666 C6 G B1483 -852.494 -41.982 174.792 1.00857.03 C ATOM 30667 O6 G B1483 -852.356 -42.466 175.920 1.00857.03 O ATOM 30668 N1 G B1483 -853.730 -42.053 174.157 1.00857.03 N ATOM 30669 C2 G B1483 -854.003 -41.554 172.908 1.00857.03 C ATOM 30670 N2 G B1483 -855.260 -41.719 172.467 1.00857.03 N ATOM 30671 N3 G B1483 -853.115 -40.943 172.146 1.00857.03 N ATOM 30672 C4 G B1483 -851.908 -40.862 172.742 1.00857.03 C ATOM 30673 P G B1484 -846.676 -38.132 169.078 1.00853.62 P ATOM 30674 O1P G B1484 -845.551 -39.095 169.165 1.00853.62 O ATOM 30675 O2P G B1484 -847.235 -37.542 170.320 1.00853.62 O ATOM 30676 O5* G B1484 -846.234 -36.945 168.112 1.00853.62 O ATOM 30677 C5* G B1484 -846.172 -35.599 168.579 1.00853.62 C ATOM 30678 C4* G B1484 -847.465 -34.878 168.270 1.00853.62 C ATOM 30679 O4* G B1484 -848.583 -35.670 168.748 1.00853.62 O ATOM 30680 C3* G B1484 -847.630 -33.526 168.928 1.00853.62 C ATOM 30681 O3* G B1484 -847.029 -32.494 168.157 1.00853.62 O ATOM 30682 C2* G B1484 -849.145 -33.369 169.019 1.00853.62 C ATOM 30683 O2* G B1484 -849.711 -32.872 167.822 1.00853.62 O ATOM 30684 C1* G B1484 -849.598 -34.813 169.242 1.00853.62 C ATOM 30685 N9 G B1484 -849.800 -35.128 170.650 1.00853.62 N ATOM 30686 C8 G B1484 -848.974 -34.795 171.698 1.00853.62 C ATOM 30687 N7 G B1484 -849.421 -35.204 172.855 1.00853.62 N ATOM 30688 C5 G B1484 -850.617 -35.844 172.551 1.00853.62 C ATOM 30689 C6 G B1484 -851.553 -36.484 173.399 1.00853.62 C ATOM 30690 O6 G B1484 -851.514 -36.618 174.629 1.00853.62 O ATOM 30691 N1 G B1484 -852.624 -37.003 172.679 1.00853.62 N ATOM 30692 C2 G B1484 -852.775 -36.914 171.318 1.00853.62 C ATOM 30693 N2 G B1484 -853.880 -37.480 170.809 1.00853.62 N ATOM 30694 N3 G B1484 -851.909 -36.318 170.516 1.00853.62 N ATOM 30695 C4 G B1484 -850.862 -35.809 171.196 1.00853.62 C ATOM 30696 P U B1485 -846.589 -31.119 168.870 1.00853.62 P ATOM 30697 O1P U B1485 -846.374 -30.113 167.801 1.00853.62 O ATOM 30698 O2P U B1485 -845.493 -31.421 169.827 1.00853.62 O ATOM 30699 O5* U B1485 -847.872 -30.679 169.710 1.00853.62 O ATOM 30700 C5* U B1485 -848.756 -29.672 169.228 1.00853.62 C ATOM 30701 C4* U B1485 -849.110 -28.710 170.340 1.00853.62 C ATOM 30702 O4* U B1485 -850.084 -29.339 171.210 1.00853.62 O ATOM 30703 C3* U B1485 -848.002 -28.326 171.306 1.00853.62 C ATOM 30704 O3* U B1485 -847.193 -27.270 170.789 1.00853.62 O ATOM 30705 C2* U B1485 -848.754 -27.894 172.557 1.00853.62 C ATOM 30706 O2* U B1485 -849.157 -26.537 172.509 1.00853.62 O ATOM 30707 C1* U B1485 -849.987 -28.795 172.513 1.00853.62 C ATOM 30708 N1 U B1485 -849.930 -29.909 173.468 1.00853.62 N ATOM 30709 C2 U B1485 -850.454 -29.704 174.728 1.00853.62 C ATOM 30710 O2 U B1485 -850.952 -28.648 175.073 1.00853.62 O ATOM 30711 N3 U B1485 -850.374 -30.787 175.568 1.00853.62 N ATOM 30712 C4 U B1485 -849.836 -32.024 175.283 1.00853.62 C ATOM 30713 O4 U B1485 -849.871 -32.910 176.139 1.00853.62 O ATOM 30714 C5 U B1485 -849.309 -32.155 173.961 1.00853.62 C ATOM 30715 C6 U B1485 -849.371 -31.117 173.118 1.00853.62 C ATOM 30716 P A B1486 -845.607 -27.274 171.056 1.00853.62 P ATOM 30717 O1P A B1486 -845.100 -25.931 170.673 1.00853.62 O ATOM 30718 O2P A B1486 -845.030 -28.486 170.417 1.00853.62 O ATOM 30719 O5* A B1486 -845.464 -27.427 172.634 1.00853.62 O ATOM 30720 C5* A B1486 -845.766 -26.338 173.504 1.00853.62 C ATOM 30721 C4* A B1486 -845.733 -26.783 174.949 1.00853.62 C ATOM 30722 O4* A B1486 -846.658 -27.888 175.130 1.00853.62 O ATOM 30723 C3* A B1486 -844.406 -27.320 175.422 1.00853.62 C ATOM 30724 O3* A B1486 -843.594 -26.240 175.872 1.00853.62 O ATOM 30725 C2* A B1486 -844.792 -28.250 176.566 1.00853.62 C ATOM 30726 O2* A B1486 -844.972 -27.563 177.788 1.00853.62 O ATOM 30727 C1* A B1486 -846.131 -28.803 176.076 1.00853.62 C ATOM 30728 N9 A B1486 -845.953 -30.093 175.413 1.00853.62 N ATOM 30729 C8 A B1486 -846.013 -30.375 174.071 1.00853.62 C ATOM 30730 N7 A B1486 -845.763 -31.629 173.781 1.00853.62 N ATOM 30731 C5 A B1486 -845.525 -32.216 175.015 1.00853.62 C ATOM 30732 C6 A B1486 -845.192 -33.527 175.392 1.00853.62 C ATOM 30733 N6 A B1486 -845.017 -34.530 174.526 1.00853.62 N ATOM 30734 N1 A B1486 -845.032 -33.782 176.711 1.00853.62 N ATOM 30735 C2 A B1486 -845.192 -32.776 177.579 1.00853.62 C ATOM 30736 N3 A B1486 -845.495 -31.501 177.348 1.00853.62 N ATOM 30737 C4 A B1486 -845.651 -31.282 176.031 1.00853.62 C ATOM 30738 P C B1487 -842.562 -25.546 174.850 1.00853.62 P ATOM 30739 O1P C B1487 -842.944 -24.115 174.715 1.00853.62 O ATOM 30740 O2P C B1487 -842.471 -26.399 173.637 1.00853.62 O ATOM 30741 O5* C B1487 -841.157 -25.614 175.601 1.00853.62 O ATOM 30742 C5* C B1487 -841.018 -25.183 176.951 1.00853.62 C ATOM 30743 C4* C B1487 -840.382 -26.272 177.783 1.00853.62 C ATOM 30744 O4* C B1487 -841.147 -27.492 177.604 1.00853.62 O ATOM 30745 C3* C B1487 -838.963 -26.659 177.419 1.00853.62 C ATOM 30746 O3* C B1487 -838.053 -25.808 178.106 1.00853.62 O ATOM 30747 C2* C B1487 -838.867 -28.104 177.897 1.00853.62 C ATOM 30748 O2* C B1487 -838.584 -28.201 179.279 1.00853.62 O ATOM 30749 C1* C B1487 -840.282 -28.612 177.626 1.00853.62 C ATOM 30750 N1 C B1487 -840.395 -29.284 176.322 1.00853.62 N ATOM 30751 C2 C B1487 -839.877 -30.572 176.174 1.00853.62 C ATOM 30752 O2 C B1487 -839.349 -31.120 177.153 1.00853.62 O ATOM 30753 N3 C B1487 -839.963 -31.186 174.971 1.00853.62 N ATOM 30754 C4 C B1487 -840.544 -30.558 173.943 1.00853.62 C ATOM 30755 N4 C B1487 -840.603 -31.197 172.772 1.00853.62 N ATOM 30756 C5 C B1487 -841.087 -29.249 174.071 1.00853.62 C ATOM 30757 C6 C B1487 -840.993 -28.655 175.266 1.00853.62 C ATOM 30758 P G B1488 -836.470 -26.014 177.916 1.00853.62 P ATOM 30759 O1P G B1488 -835.815 -24.699 178.138 1.00853.62 O ATOM 30760 O2P G B1488 -836.245 -26.735 176.638 1.00853.62 O ATOM 30761 O5* G B1488 -836.056 -26.980 179.111 1.00853.62 O ATOM 30762 C5* G B1488 -834.987 -27.913 178.965 1.00853.62 C ATOM 30763 C4* G B1488 -834.897 -28.801 180.184 1.00853.62 C ATOM 30764 O4* G B1488 -836.217 -29.290 180.530 1.00853.62 O ATOM 30765 C3* G B1488 -834.021 -30.046 180.144 1.00853.62 C ATOM 30766 O3* G B1488 -832.659 -29.721 180.401 1.00853.62 O ATOM 30767 C2* G B1488 -834.626 -30.921 181.233 1.00853.62 C ATOM 30768 O2* G B1488 -834.147 -30.601 182.525 1.00853.62 O ATOM 30769 C1* G B1488 -836.111 -30.564 181.135 1.00853.62 C ATOM 30770 N9 G B1488 -836.882 -31.509 180.332 1.00853.62 N ATOM 30771 C8 G B1488 -836.755 -31.746 178.984 1.00853.62 C ATOM 30772 N7 G B1488 -837.593 -32.639 178.537 1.00853.62 N ATOM 30773 C5 G B1488 -838.317 -33.019 179.660 1.00853.62 C ATOM 30774 C6 G B1488 -839.371 -33.955 179.802 1.00853.62 C ATOM 30775 O6 G B1488 -839.895 -34.659 178.930 1.00853.62 O ATOM 30776 N1 G B1488 -839.813 -34.032 181.116 1.00853.62 N ATOM 30777 C2 G B1488 -839.312 -33.300 182.165 1.00853.62 C ATOM 30778 N2 G B1488 -839.870 -33.517 183.363 1.00853.62 N ATOM 30779 N3 G B1488 -838.332 -32.422 182.047 1.00853.62 N ATOM 30780 C4 G B1488 -837.888 -32.332 180.776 1.00853.62 C ATOM 30781 P C B1489 -831.507 -30.784 180.060 1.00853.62 P ATOM 30782 O1P C B1489 -831.121 -30.587 178.639 1.00853.62 O ATOM 30783 O2P C B1489 -831.952 -32.124 180.519 1.00853.62 O ATOM 30784 O5* C B1489 -830.285 -30.325 180.969 1.00853.62 O ATOM 30785 C5* C B1489 -829.917 -31.070 182.124 1.00853.62 C ATOM 30786 C4* C B1489 -828.447 -31.396 182.077 1.00853.62 C ATOM 30787 O4* C B1489 -827.683 -30.223 182.451 1.00853.62 O ATOM 30788 C3* C B1489 -827.962 -32.428 183.072 1.00853.62 C ATOM 30789 O3* C B1489 -828.231 -33.728 182.553 1.00853.62 O ATOM 30790 C2* C B1489 -826.471 -32.134 183.199 1.00853.62 C ATOM 30791 O2* C B1489 -825.705 -32.763 182.191 1.00853.62 O ATOM 30792 C1* C B1489 -826.434 -30.613 182.989 1.00853.62 C ATOM 30793 N1 C B1489 -826.235 -29.864 184.239 1.00853.62 N ATOM 30794 C2 C B1489 -825.037 -30.017 184.938 1.00853.62 C ATOM 30795 O2 C B1489 -824.167 -30.779 184.487 1.00853.62 O ATOM 30796 N3 C B1489 -824.850 -29.328 186.091 1.00853.62 N ATOM 30797 C4 C B1489 -825.810 -28.516 186.542 1.00853.62 C ATOM 30798 N4 C B1489 -825.586 -27.860 187.683 1.00853.62 N ATOM 30799 C5 C B1489 -827.040 -28.343 185.847 1.00853.62 C ATOM 30800 C6 C B1489 -827.208 -29.029 184.711 1.00853.62 C ATOM 30801 P U B1490 -828.350 -34.985 183.552 1.00853.62 P ATOM 30802 O1P U B1490 -828.947 -34.488 184.818 1.00853.62 O ATOM 30803 O2P U B1490 -827.038 -35.674 183.582 1.00853.62 O ATOM 30804 O5* U B1490 -829.403 -35.964 182.865 1.00853.62 O ATOM 30805 C5* U B1490 -828.968 -37.132 182.175 1.00853.62 C ATOM 30806 C4* U B1490 -830.137 -37.830 181.512 1.00853.62 C ATOM 30807 O4* U B1490 -831.073 -38.304 182.515 1.00853.62 O ATOM 30808 C3* U B1490 -831.050 -37.020 180.599 1.00853.62 C ATOM 30809 O3* U B1490 -830.484 -36.856 179.303 1.00853.62 O ATOM 30810 C2* U B1490 -832.328 -37.849 180.541 1.00853.62 C ATOM 30811 O2* U B1490 -832.287 -38.844 179.539 1.00853.62 O ATOM 30812 C1* U B1490 -832.344 -38.506 181.921 1.00853.62 C ATOM 30813 N1 U B1490 -833.375 -37.938 182.798 1.00853.62 N ATOM 30814 C2 U B1490 -834.316 -38.807 183.326 1.00853.62 C ATOM 30815 O2 U B1490 -834.308 -40.003 183.102 1.00853.62 O ATOM 30816 N3 U B1490 -835.263 -38.219 184.126 1.00853.62 N ATOM 30817 C4 U B1490 -835.368 -36.880 184.446 1.00853.62 C ATOM 30818 O4 U B1490 -836.290 -36.502 185.170 1.00853.62 O ATOM 30819 C5 U B1490 -834.355 -36.049 183.869 1.00853.62 C ATOM 30820 C6 U B1490 -833.418 -36.592 183.086 1.00853.62 C ATOM 30821 P C B1491 -830.461 -35.395 178.631 1.00853.62 P ATOM 30822 O1P C B1491 -829.040 -34.963 178.554 1.00853.62 O ATOM 30823 O2P C B1491 -831.449 -34.544 179.342 1.00853.62 O ATOM 30824 O5* C B1491 -830.986 -35.629 177.143 1.00853.62 O ATOM 30825 C5* C B1491 -832.371 -35.509 176.830 1.00853.62 C ATOM 30826 C4* C B1491 -832.573 -35.460 175.331 1.00853.62 C ATOM 30827 O4* C B1491 -833.984 -35.276 175.047 1.00853.62 O ATOM 30828 C3* C B1491 -831.886 -34.293 174.648 1.00853.62 C ATOM 30829 O3* C B1491 -830.544 -34.610 174.289 1.00853.62 O ATOM 30830 C2* C B1491 -832.747 -34.065 173.412 1.00853.62 C ATOM 30831 O2* C B1491 -832.413 -34.929 172.349 1.00853.62 O ATOM 30832 C1* C B1491 -834.142 -34.404 173.939 1.00853.62 C ATOM 30833 N1 C B1491 -834.867 -33.209 174.391 1.00853.62 N ATOM 30834 C2 C B1491 -835.910 -32.714 173.601 1.00853.62 C ATOM 30835 O2 C B1491 -836.204 -33.308 172.553 1.00853.62 O ATOM 30836 N3 C B1491 -836.570 -31.601 174.000 1.00853.62 N ATOM 30837 C4 C B1491 -836.222 -30.989 175.134 1.00853.62 C ATOM 30838 N4 C B1491 -836.897 -29.891 175.483 1.00853.62 N ATOM 30839 C5 C B1491 -835.171 -31.477 175.962 1.00853.62 C ATOM 30840 C6 C B1491 -834.525 -32.581 175.555 1.00853.62 C ATOM 30841 P A B1492 -829.394 -33.497 174.447 1.00853.62 P ATOM 30842 O1P A B1492 -828.099 -34.125 174.077 1.00853.62 O ATOM 30843 O2P A B1492 -829.545 -32.859 175.779 1.00853.62 O ATOM 30844 O5* A B1492 -829.748 -32.407 173.338 1.00853.62 O ATOM 30845 C5* A B1492 -829.854 -32.754 171.957 1.00853.62 C ATOM 30846 C4* A B1492 -829.450 -31.578 171.104 1.00853.62 C ATOM 30847 O4* A B1492 -830.284 -30.442 171.455 1.00853.62 O ATOM 30848 C3* A B1492 -828.051 -31.104 171.343 1.00853.62 C ATOM 30849 O3* A B1492 -827.185 -31.865 170.512 1.00853.62 O ATOM 30850 C2* A B1492 -828.104 -29.630 170.968 1.00853.62 C ATOM 30851 O2* A B1492 -827.981 -29.415 169.575 1.00853.62 O ATOM 30852 C1* A B1492 -829.511 -29.254 171.432 1.00853.62 C ATOM 30853 N9 A B1492 -829.507 -28.717 172.791 1.00853.62 N ATOM 30854 C8 A B1492 -829.074 -29.358 173.924 1.00853.62 C ATOM 30855 N7 A B1492 -829.167 -28.637 175.010 1.00853.62 N ATOM 30856 C5 A B1492 -829.700 -27.436 174.566 1.00853.62 C ATOM 30857 C6 A B1492 -830.033 -26.251 175.235 1.00853.62 C ATOM 30858 N6 A B1492 -829.875 -26.075 176.551 1.00853.62 N ATOM 30859 N1 A B1492 -830.540 -25.236 174.501 1.00853.62 N ATOM 30860 C2 A B1492 -830.698 -25.416 173.185 1.00853.62 C ATOM 30861 N3 A B1492 -830.422 -26.487 172.440 1.00853.62 N ATOM 30862 C4 A B1492 -829.918 -27.471 173.202 1.00853.62 C ATOM 30863 P A B1493 -825.806 -32.433 171.113 1.00853.62 P ATOM 30864 O1P A B1493 -826.073 -32.838 172.516 1.00853.62 O ATOM 30865 O2P A B1493 -824.730 -31.448 170.826 1.00853.62 O ATOM 30866 O5* A B1493 -825.528 -33.742 170.252 1.00853.62 O ATOM 30867 C5* A B1493 -825.370 -35.003 170.889 1.00853.62 C ATOM 30868 C4* A B1493 -825.505 -36.122 169.885 1.00853.62 C ATOM 30869 O4* A B1493 -826.878 -36.198 169.415 1.00853.62 O ATOM 30870 C3* A B1493 -824.683 -35.965 168.624 1.00853.62 C ATOM 30871 O3* A B1493 -823.359 -36.442 168.824 1.00853.62 O ATOM 30872 C2* A B1493 -825.446 -36.817 167.617 1.00853.62 C ATOM 30873 O2* A B1493 -825.120 -38.189 167.708 1.00853.62 O ATOM 30874 C1* A B1493 -826.892 -36.597 168.053 1.00853.62 C ATOM 30875 N9 A B1493 -827.542 -35.554 167.260 1.00853.62 N ATOM 30876 C8 A B1493 -827.618 -34.209 167.533 1.00853.62 C ATOM 30877 N7 A B1493 -828.231 -33.517 166.605 1.00853.62 N ATOM 30878 C5 A B1493 -828.593 -34.469 165.661 1.00853.62 C ATOM 30879 C6 A B1493 -829.265 -34.374 164.432 1.00853.62 C ATOM 30880 N6 A B1493 -829.712 -33.227 163.916 1.00853.62 N ATOM 30881 N1 A B1493 -829.465 -35.515 163.738 1.00853.62 N ATOM 30882 C2 A B1493 -829.011 -36.665 164.251 1.00853.62 C ATOM 30883 N3 A B1493 -828.362 -36.881 165.390 1.00853.62 N ATOM 30884 C4 A B1493 -828.180 -35.727 166.056 1.00853.62 C ATOM 30885 P G B1494 -822.127 -35.421 168.681 1.00853.62 P ATOM 30886 O1P G B1494 -820.910 -36.107 169.181 1.00853.62 O ATOM 30887 O2P G B1494 -822.529 -34.117 169.267 1.00853.62 O ATOM 30888 O5* G B1494 -821.977 -35.237 167.105 1.00853.62 O ATOM 30889 C5* G B1494 -821.653 -33.968 166.548 1.00853.62 C ATOM 30890 C4* G B1494 -822.397 -33.757 165.250 1.00853.62 C ATOM 30891 O4* G B1494 -823.823 -33.927 165.470 1.00853.62 O ATOM 30892 C3* G B1494 -822.286 -32.390 164.613 1.00853.62 C ATOM 30893 O3* G B1494 -821.068 -32.273 163.893 1.00853.62 O ATOM 30894 C2* G B1494 -823.533 -32.325 163.739 1.00853.62 C ATOM 30895 O2* G B1494 -823.374 -32.995 162.505 1.00853.62 O ATOM 30896 C1* G B1494 -824.549 -33.067 164.611 1.00853.62 C ATOM 30897 N9 G B1494 -825.298 -32.143 165.456 1.00853.62 N ATOM 30898 C8 G B1494 -825.020 -31.838 166.767 1.00853.62 C ATOM 30899 N7 G B1494 -825.839 -30.956 167.271 1.00853.62 N ATOM 30900 C5 G B1494 -826.714 -30.666 166.234 1.00853.62 C ATOM 30901 C6 G B1494 -827.818 -29.775 166.186 1.00853.62 C ATOM 30902 O6 G B1494 -828.250 -29.040 167.079 1.00853.62 O ATOM 30903 N1 G B1494 -828.433 -29.790 164.939 1.00853.62 N ATOM 30904 C2 G B1494 -828.040 -30.561 163.872 1.00853.62 C ATOM 30905 N2 G B1494 -828.766 -30.435 162.755 1.00853.62 N ATOM 30906 N3 G B1494 -827.009 -31.394 163.903 1.00853.62 N ATOM 30907 C4 G B1494 -826.399 -31.396 165.106 1.00853.62 C ATOM 30908 P G B1495 -820.384 -30.827 163.739 1.00853.62 P ATOM 30909 O1P G B1495 -818.948 -31.044 163.430 1.00853.62 O ATOM 30910 O2P G B1495 -820.766 -30.005 164.916 1.00853.62 O ATOM 30911 O5* G B1495 -821.088 -30.216 162.446 1.00853.62 O ATOM 30912 C5* G B1495 -820.316 -29.916 161.295 1.00853.62 C ATOM 30913 C4* G B1495 -820.795 -28.641 160.642 1.00853.62 C ATOM 30914 O4* G B1495 -822.200 -28.777 160.290 1.00853.62 O ATOM 30915 C3* G B1495 -820.718 -27.407 161.512 1.00853.62 C ATOM 30916 O3* G B1495 -819.418 -26.831 161.691 1.00853.62 O ATOM 30917 C2* G B1495 -821.833 -26.520 160.962 1.00853.62 C ATOM 30918 O2* G B1495 -821.497 -25.764 159.817 1.00853.62 O ATOM 30919 C1* G B1495 -822.881 -27.558 160.555 1.00853.62 C ATOM 30920 N9 G B1495 -823.858 -27.787 161.615 1.00853.62 N ATOM 30921 C8 G B1495 -823.908 -28.842 162.495 1.00853.62 C ATOM 30922 N7 G B1495 -824.891 -28.745 163.351 1.00853.62 N ATOM 30923 C5 G B1495 -825.529 -27.561 163.011 1.00853.62 C ATOM 30924 C6 G B1495 -826.662 -26.927 163.592 1.00853.62 C ATOM 30925 O6 G B1495 -827.344 -27.293 164.554 1.00853.62 O ATOM 30926 N1 G B1495 -826.975 -25.742 162.931 1.00853.62 N ATOM 30927 C2 G B1495 -826.290 -25.230 161.859 1.00853.62 C ATOM 30928 N2 G B1495 -826.750 -24.073 161.360 1.00853.62 N ATOM 30929 N3 G B1495 -825.232 -25.808 161.316 1.00853.62 N ATOM 30930 C4 G B1495 -824.909 -26.961 161.937 1.00853.62 C ATOM 30931 P G B1496 -818.771 -25.869 160.570 1.00853.62 P ATOM 30932 O1P G B1496 -819.223 -26.359 159.243 1.00853.62 O ATOM 30933 O2P G B1496 -817.316 -25.788 160.859 1.00853.62 O ATOM 30934 O5* G B1496 -819.390 -24.424 160.827 1.00853.62 O ATOM 30935 C5* G B1496 -818.693 -23.259 160.394 1.00853.62 C ATOM 30936 C4* G B1496 -819.424 -22.007 160.820 1.00853.62 C ATOM 30937 O4* G B1496 -820.854 -22.199 160.673 1.00853.62 O ATOM 30938 C3* G B1496 -819.319 -21.532 162.251 1.00853.62 C ATOM 30939 O3* G B1496 -818.086 -20.848 162.432 1.00853.62 O ATOM 30940 C2* G B1496 -820.516 -20.608 162.408 1.00853.62 C ATOM 30941 O2* G B1496 -820.257 -19.297 161.947 1.00853.62 O ATOM 30942 C1* G B1496 -821.548 -21.285 161.504 1.00853.62 C ATOM 30943 N9 G B1496 -822.513 -22.037 162.295 1.00853.62 N ATOM 30944 C8 G B1496 -822.366 -23.322 162.765 1.00853.62 C ATOM 30945 N7 G B1496 -823.379 -23.726 163.478 1.00853.62 N ATOM 30946 C5 G B1496 -824.254 -22.647 163.474 1.00853.62 C ATOM 30947 C6 G B1496 -825.520 -22.492 164.088 1.00853.62 C ATOM 30948 O6 G B1496 -826.141 -23.301 164.781 1.00853.62 O ATOM 30949 N1 G B1496 -826.062 -21.236 163.822 1.00853.62 N ATOM 30950 C2 G B1496 -825.465 -20.259 163.072 1.00853.62 C ATOM 30951 N2 G B1496 -826.151 -19.117 162.932 1.00853.62 N ATOM 30952 N3 G B1496 -824.281 -20.387 162.497 1.00853.62 N ATOM 30953 C4 G B1496 -823.734 -21.600 162.740 1.00853.62 C ATOM 30954 P C B1497 -817.484 -20.687 163.912 1.00853.62 P ATOM 30955 O1P C B1497 -816.205 -19.945 163.804 1.00853.62 O ATOM 30956 O2P C B1497 -817.506 -22.021 164.567 1.00853.62 O ATOM 30957 O5* C B1497 -818.543 -19.756 164.653 1.00853.62 O ATOM 30958 C5* C B1497 -818.670 -18.375 164.320 1.00853.62 C ATOM 30959 C4* C B1497 -818.568 -17.519 165.561 1.00853.62 C ATOM 30960 O4* C B1497 -817.240 -17.652 166.134 1.00853.62 O ATOM 30961 C3* C B1497 -818.749 -16.031 165.333 1.00853.62 C ATOM 30962 O3* C B1497 -820.132 -15.695 165.373 1.00853.62 O ATOM 30963 C2* C B1497 -817.973 -15.408 166.487 1.00853.62 C ATOM 30964 O2* C B1497 -818.729 -15.336 167.679 1.00853.62 O ATOM 30965 C1* C B1497 -816.825 -16.408 166.672 1.00853.62 C ATOM 30966 N1 C B1497 -815.582 -16.002 165.998 1.00853.62 N ATOM 30967 C2 C B1497 -814.699 -15.145 166.661 1.00853.62 C ATOM 30968 O2 C B1497 -814.990 -14.748 167.798 1.00853.62 O ATOM 30969 N3 C B1497 -813.553 -14.772 166.044 1.00853.62 N ATOM 30970 C4 C B1497 -813.276 -15.221 164.818 1.00853.62 C ATOM 30971 N4 C B1497 -812.137 -14.829 164.249 1.00853.62 N ATOM 30972 C5 C B1497 -814.158 -16.099 164.120 1.00853.62 C ATOM 30973 C6 C B1497 -815.289 -16.460 164.741 1.00853.62 C ATOM 30974 P G B1498 -820.627 -14.275 164.802 1.00853.62 P ATOM 30975 O1P G B1498 -821.940 -14.491 164.147 1.00853.62 O ATOM 30976 O2P G B1498 -819.512 -13.670 164.027 1.00853.62 O ATOM 30977 O5* G B1498 -820.863 -13.393 166.106 1.00853.62 O ATOM 30978 C5* G B1498 -822.058 -13.531 166.872 1.00853.62 C ATOM 30979 C4* G B1498 -821.790 -13.200 168.324 1.00853.62 C ATOM 30980 O4* G B1498 -820.482 -13.697 168.700 1.00853.62 O ATOM 30981 C3* G B1498 -821.785 -11.731 168.755 1.00853.62 C ATOM 30982 O3* G B1498 -823.086 -11.201 168.991 1.00853.62 O ATOM 30983 C2* G B1498 -820.947 -11.769 170.028 1.00853.62 C ATOM 30984 O2* G B1498 -821.699 -12.167 171.159 1.00853.62 O ATOM 30985 C1* G B1498 -819.922 -12.854 169.691 1.00853.62 C ATOM 30986 N9 G B1498 -818.672 -12.297 169.180 1.00853.62 N ATOM 30987 C8 G B1498 -818.489 -11.593 168.012 1.00853.62 C ATOM 30988 N7 G B1498 -817.255 -11.203 167.840 1.00853.62 N ATOM 30989 C5 G B1498 -816.584 -11.681 168.956 1.00853.62 C ATOM 30990 C6 G B1498 -815.217 -11.564 169.333 1.00853.62 C ATOM 30991 O6 G B1498 -814.297 -10.988 168.741 1.00853.62 O ATOM 30992 N1 G B1498 -814.965 -12.207 170.543 1.00853.62 N ATOM 30993 C2 G B1498 -815.905 -12.868 171.296 1.00853.62 C ATOM 30994 N2 G B1498 -815.469 -13.425 172.432 1.00853.62 N ATOM 30995 N3 G B1498 -817.178 -12.977 170.961 1.00853.62 N ATOM 30996 C4 G B1498 -817.445 -12.366 169.788 1.00853.62 C ATOM 30997 P A B1499 -823.428 -9.696 168.540 1.00853.62 P ATOM 30998 O1P A B1499 -824.849 -9.443 168.894 1.00853.62 O ATOM 30999 O2P A B1499 -822.981 -9.516 167.137 1.00853.62 O ATOM 31000 O5* A B1499 -822.514 -8.786 169.481 1.00853.62 O ATOM 31001 C5* A B1499 -822.970 -8.387 170.770 1.00853.62 C ATOM 31002 C4* A B1499 -822.236 -7.150 171.240 1.00853.62 C ATOM 31003 O4* A B1499 -820.813 -7.418 171.303 1.00853.62 O ATOM 31004 C3* A B1499 -822.310 -5.842 170.450 1.00853.62 C ATOM 31005 O3* A B1499 -823.517 -5.123 170.700 1.00853.62 O ATOM 31006 C2* A B1499 -821.093 -5.071 170.955 1.00853.62 C ATOM 31007 O2* A B1499 -821.357 -4.366 172.149 1.00853.62 O ATOM 31008 C1* A B1499 -820.099 -6.198 171.242 1.00853.62 C ATOM 31009 N9 A B1499 -819.042 -6.317 170.243 1.00853.62 N ATOM 31010 C8 A B1499 -818.896 -7.250 169.246 1.00853.62 C ATOM 31011 N7 A B1499 -817.825 -7.069 168.504 1.00853.62 N ATOM 31012 C5 A B1499 -817.227 -5.942 169.053 1.00853.62 C ATOM 31013 C6 A B1499 -816.057 -5.236 168.722 1.00853.62 C ATOM 31014 N6 A B1499 -815.245 -5.574 167.717 1.00853.62 N ATOM 31015 N1 A B1499 -815.744 -4.157 169.471 1.00853.62 N ATOM 31016 C2 A B1499 -816.556 -3.817 170.477 1.00853.62 C ATOM 31017 N3 A B1499 -817.681 -4.401 170.885 1.00853.62 N ATOM 31018 C4 A B1499 -817.964 -5.470 170.121 1.00853.62 C ATOM 31019 P U B1500 -823.782 -3.717 169.963 1.00853.62 P ATOM 31020 O1P U B1500 -825.248 -3.606 169.764 1.00853.62 O ATOM 31021 O2P U B1500 -822.873 -3.621 168.794 1.00853.62 O ATOM 31022 O5* U B1500 -823.350 -2.614 171.035 1.00853.62 O ATOM 31023 C5* U B1500 -822.635 -1.447 170.632 1.00853.62 C ATOM 31024 C4* U B1500 -822.509 -0.476 171.783 1.00853.62 C ATOM 31025 O4* U B1500 -822.012 -1.179 172.951 1.00853.62 O ATOM 31026 C3* U B1500 -821.552 0.694 171.606 1.00853.62 C ATOM 31027 O3* U B1500 -822.197 1.783 170.950 1.00853.62 O ATOM 31028 C2* U B1500 -821.179 1.059 173.038 1.00853.62 C ATOM 31029 O2* U B1500 -822.117 1.932 173.639 1.00853.62 O ATOM 31030 C1* U B1500 -821.239 -0.298 173.742 1.00853.62 C ATOM 31031 N1 U B1500 -819.921 -0.910 173.982 1.00853.62 N ATOM 31032 C2 U B1500 -819.225 -0.503 175.103 1.00853.62 C ATOM 31033 O2 U B1500 -819.660 0.328 175.883 1.00853.62 O ATOM 31034 N3 U B1500 -818.005 -1.104 175.279 1.00853.62 N ATOM 31035 C4 U B1500 -817.421 -2.048 174.462 1.00853.62 C ATOM 31036 O4 U B1500 -816.312 -2.501 174.761 1.00853.62 O ATOM 31037 C5 U B1500 -818.201 -2.418 173.323 1.00853.62 C ATOM 31038 C6 U B1500 -819.397 -1.849 173.123 1.00853.62 C ATOM 31039 P C B1501 -821.545 2.427 169.626 1.00853.62 P ATOM 31040 O1P C B1501 -822.510 3.431 169.108 1.00853.62 O ATOM 31041 O2P C B1501 -821.085 1.325 168.742 1.00853.62 O ATOM 31042 O5* C B1501 -820.263 3.212 170.154 1.00853.62 O ATOM 31043 C5* C B1501 -820.400 4.466 170.821 1.00853.62 C ATOM 31044 C4* C B1501 -819.248 5.384 170.470 1.00853.62 C ATOM 31045 O4* C B1501 -817.997 4.782 170.898 1.00853.62 O ATOM 31046 C3* C B1501 -819.044 5.698 168.999 1.00853.62 C ATOM 31047 O3* C B1501 -819.870 6.774 168.579 1.00853.62 O ATOM 31048 C2* C B1501 -817.562 6.061 168.939 1.00853.62 C ATOM 31049 O2* C B1501 -817.318 7.405 169.307 1.00853.62 O ATOM 31050 C1* C B1501 -816.967 5.130 169.994 1.00853.62 C ATOM 31051 N1 C B1501 -816.420 3.896 169.405 1.00853.62 N ATOM 31052 C2 C B1501 -815.137 3.923 168.845 1.00853.62 C ATOM 31053 O2 C B1501 -814.486 4.974 168.885 1.00853.62 O ATOM 31054 N3 C B1501 -814.640 2.799 168.280 1.00853.62 N ATOM 31055 C4 C B1501 -815.373 1.686 168.259 1.00853.62 C ATOM 31056 N4 C B1501 -814.844 0.603 167.680 1.00853.62 N ATOM 31057 C5 C B1501 -816.678 1.628 168.828 1.00853.62 C ATOM 31058 C6 C B1501 -817.156 2.745 169.385 1.00853.62 C ATOM 31059 P G B1502 -820.316 6.878 167.037 1.00853.62 P ATOM 31060 O1P G B1502 -821.226 8.044 166.910 1.00853.62 O ATOM 31061 O2P G B1502 -820.776 5.538 166.592 1.00853.62 O ATOM 31062 O5* G B1502 -818.961 7.222 166.270 1.00853.62 O ATOM 31063 C5* G B1502 -818.253 8.419 166.562 1.00853.62 C ATOM 31064 C4* G B1502 -817.084 8.597 165.619 1.00853.62 C ATOM 31065 O4* G B1502 -816.070 7.593 165.873 1.00853.62 O ATOM 31066 C3* G B1502 -817.355 8.498 164.121 1.00853.62 C ATOM 31067 O3* G B1502 -817.896 9.699 163.582 1.00853.62 O ATOM 31068 C2* G B1502 -815.969 8.188 163.565 1.00853.62 C ATOM 31069 O2* G B1502 -815.170 9.346 163.423 1.00853.62 O ATOM 31070 C1* G B1502 -815.362 7.319 164.672 1.00853.62 C ATOM 31071 N9 G B1502 -815.433 5.890 164.390 1.00853.62 N ATOM 31072 C8 G B1502 -816.160 4.942 165.070 1.00853.62 C ATOM 31073 N7 G B1502 -816.013 3.739 164.583 1.00853.62 N ATOM 31074 C5 G B1502 -815.140 3.898 163.518 1.00853.62 C ATOM 31075 C6 G B1502 -814.611 2.941 162.607 1.00853.62 C ATOM 31076 O6 G B1502 -814.813 1.723 162.560 1.00853.62 O ATOM 31077 N1 G B1502 -813.762 3.533 161.679 1.00853.62 N ATOM 31078 C2 G B1502 -813.457 4.867 161.624 1.00853.62 C ATOM 31079 N2 G B1502 -812.616 5.237 160.641 1.00853.62 N ATOM 31080 N3 G B1502 -813.940 5.773 162.466 1.00853.62 N ATOM 31081 C4 G B1502 -814.771 5.221 163.381 1.00853.62 C ATOM 31082 P G B1503 -819.148 9.628 162.578 1.00853.62 P ATOM 31083 O1P G B1503 -819.623 11.016 162.355 1.00853.62 O ATOM 31084 O2P G B1503 -820.097 8.598 163.076 1.00853.62 O ATOM 31085 O5* G B1503 -818.507 9.105 161.219 1.00853.62 O ATOM 31086 C5* G B1503 -817.685 9.960 160.434 1.00853.62 C ATOM 31087 C4* G B1503 -817.320 9.292 159.132 1.00853.62 C ATOM 31088 O4* G B1503 -816.457 8.147 159.360 1.00853.62 O ATOM 31089 C3* G B1503 -818.454 8.747 158.269 1.00853.62 C ATOM 31090 O3* G B1503 -819.114 9.766 157.535 1.00853.62 O ATOM 31091 C2* G B1503 -817.732 7.734 157.385 1.00853.62 C ATOM 31092 O2* G B1503 -817.106 8.335 156.270 1.00853.62 O ATOM 31093 C1* G B1503 -816.660 7.191 158.332 1.00853.62 C ATOM 31094 N9 G B1503 -817.007 5.911 158.946 1.00853.62 N ATOM 31095 C8 G B1503 -817.212 5.657 160.284 1.00853.62 C ATOM 31096 N7 G B1503 -817.495 4.405 160.526 1.00853.62 N ATOM 31097 C5 G B1503 -817.480 3.794 159.275 1.00853.62 C ATOM 31098 C6 G B1503 -817.713 2.443 158.907 1.00853.62 C ATOM 31099 O6 G B1503 -817.984 1.480 159.635 1.00853.62 O ATOM 31100 N1 G B1503 -817.601 2.263 157.533 1.00853.62 N ATOM 31101 C2 G B1503 -817.301 3.252 156.628 1.00853.62 C ATOM 31102 N2 G B1503 -817.242 2.876 155.342 1.00853.62 N ATOM 31103 N3 G B1503 -817.083 4.515 156.959 1.00853.62 N ATOM 31104 C4 G B1503 -817.186 4.715 158.290 1.00853.62 C ATOM 31105 P G B1504 -820.651 9.570 157.116 1.00853.62 P ATOM 31106 O1P G B1504 -821.059 10.761 156.327 1.00853.62 O ATOM 31107 O2P G B1504 -821.423 9.195 158.328 1.00853.62 O ATOM 31108 O5* G B1504 -820.604 8.315 156.145 1.00853.62 O ATOM 31109 C5* G B1504 -819.935 8.397 154.890 1.00853.62 C ATOM 31110 C4* G B1504 -819.424 7.040 154.484 1.00853.62 C ATOM 31111 O4* G B1504 -820.529 6.131 154.255 1.00853.62 O ATOM 31112 C3* G B1504 -818.615 6.992 153.204 1.00853.62 C ATOM 31113 O3* G B1504 -817.268 7.370 153.448 1.00853.62 O ATOM 31114 C2* G B1504 -818.756 5.536 152.772 1.00853.62 C ATOM 31115 O2* G B1504 -817.836 4.686 153.421 1.00853.62 O ATOM 31116 C1* G B1504 -820.177 5.201 153.241 1.00853.62 C ATOM 31117 N9 G B1504 -821.166 5.287 152.174 1.00853.62 N ATOM 31118 C8 G B1504 -821.647 6.426 151.574 1.00853.62 C ATOM 31119 N7 G B1504 -822.524 6.183 150.639 1.00853.62 N ATOM 31120 C5 G B1504 -822.629 4.797 150.619 1.00853.62 C ATOM 31121 C6 G B1504 -823.425 3.945 149.809 1.00853.62 C ATOM 31122 O6 G B1504 -824.224 4.256 148.916 1.00853.62 O ATOM 31123 N1 G B1504 -823.225 2.606 150.125 1.00853.62 N ATOM 31124 C2 G B1504 -822.368 2.142 151.091 1.00853.62 C ATOM 31125 N2 G B1504 -822.316 0.811 151.245 1.00853.62 N ATOM 31126 N3 G B1504 -821.616 2.924 151.850 1.00853.62 N ATOM 31127 C4 G B1504 -821.799 4.232 151.563 1.00853.62 C ATOM 31128 P U B1505 -816.750 8.818 152.984 1.00853.62 P ATOM 31129 O1P U B1505 -815.965 9.393 154.104 1.00853.62 O ATOM 31130 O2P U B1505 -817.904 9.578 152.434 1.00853.62 O ATOM 31131 O5* U B1505 -815.751 8.484 151.791 1.00853.62 O ATOM 31132 C5* U B1505 -814.393 8.897 151.863 1.00853.62 C ATOM 31133 C4* U B1505 -814.172 10.146 151.049 1.00853.62 C ATOM 31134 O4* U B1505 -812.878 10.684 151.420 1.00853.62 O ATOM 31135 C3* U B1505 -814.091 9.979 149.545 1.00853.62 C ATOM 31136 O3* U B1505 -815.381 10.040 148.943 1.00853.62 O ATOM 31137 C2* U B1505 -813.216 11.146 149.112 1.00853.62 C ATOM 31138 O2* U B1505 -813.945 12.349 148.965 1.00853.62 O ATOM 31139 C1* U B1505 -812.261 11.278 150.299 1.00853.62 C ATOM 31140 N1 U B1505 -810.979 10.596 150.090 1.00853.62 N ATOM 31141 C2 U B1505 -809.871 11.370 149.845 1.00853.62 C ATOM 31142 O2 U B1505 -809.913 12.585 149.783 1.00853.62 O ATOM 31143 N3 U B1505 -808.709 10.667 149.673 1.00853.62 N ATOM 31144 C4 U B1505 -808.542 9.299 149.714 1.00853.62 C ATOM 31145 O4 U B1505 -807.420 8.818 149.536 1.00853.62 O ATOM 31146 C5 U B1505 -809.736 8.565 149.970 1.00853.62 C ATOM 31147 C6 U B1505 -810.886 9.220 150.144 1.00853.62 C ATOM 31148 P C B1506 -815.554 9.710 147.380 1.00853.62 P ATOM 31149 O1P C B1506 -814.913 8.391 147.141 1.00853.62 O ATOM 31150 O2P C B1506 -815.115 10.893 146.596 1.00853.62 O ATOM 31151 O5* C B1506 -817.125 9.529 147.182 1.00853.62 O ATOM 31152 C5* C B1506 -817.908 8.865 148.174 1.00853.62 C ATOM 31153 C4* C B1506 -819.280 9.490 148.267 1.00853.62 C ATOM 31154 O4* C B1506 -819.151 10.937 148.283 1.00853.62 O ATOM 31155 C3* C B1506 -820.231 9.196 147.127 1.00853.62 C ATOM 31156 O3* C B1506 -820.926 7.983 147.385 1.00853.62 O ATOM 31157 C2* C B1506 -821.178 10.392 147.153 1.00853.62 C ATOM 31158 O2* C B1506 -822.226 10.234 148.092 1.00853.62 O ATOM 31159 C1* C B1506 -820.255 11.522 147.617 1.00853.62 C ATOM 31160 N1 C B1506 -819.753 12.355 146.516 1.00853.62 N ATOM 31161 C2 C B1506 -820.315 13.618 146.316 1.00853.62 C ATOM 31162 O2 C B1506 -821.217 14.000 147.078 1.00853.62 O ATOM 31163 N3 C B1506 -819.866 14.390 145.298 1.00853.62 N ATOM 31164 C4 C B1506 -818.898 13.942 144.499 1.00853.62 C ATOM 31165 N4 C B1506 -818.488 14.736 143.507 1.00853.62 N ATOM 31166 C5 C B1506 -818.302 12.659 144.681 1.00853.62 C ATOM 31167 C6 C B1506 -818.758 11.904 145.693 1.00853.62 C ATOM 31168 P A B1507 -821.293 6.999 146.167 1.00853.62 P ATOM 31169 O1P A B1507 -820.947 5.620 146.596 1.00853.62 O ATOM 31170 O2P A B1507 -820.704 7.550 144.919 1.00853.62 O ATOM 31171 O5* A B1507 -822.880 7.102 146.064 1.00853.62 O ATOM 31172 C5* A B1507 -823.698 6.794 147.187 1.00853.62 C ATOM 31173 C4* A B1507 -825.129 6.572 146.748 1.00853.62 C ATOM 31174 O4* A B1507 -825.626 7.766 146.093 1.00853.62 O ATOM 31175 C3* A B1507 -825.438 5.493 145.716 1.00853.62 C ATOM 31176 O3* A B1507 -825.461 4.193 146.292 1.00853.62 O ATOM 31177 C2* A B1507 -826.799 5.906 145.175 1.00853.62 C ATOM 31178 O2* A B1507 -827.870 5.440 145.973 1.00853.62 O ATOM 31179 C1* A B1507 -826.722 7.431 145.261 1.00853.62 C ATOM 31180 N9 A B1507 -826.524 8.047 143.949 1.00853.62 N ATOM 31181 C8 A B1507 -825.520 8.888 143.543 1.00853.62 C ATOM 31182 N7 A B1507 -825.612 9.256 142.288 1.00853.62 N ATOM 31183 C5 A B1507 -826.760 8.617 141.839 1.00853.62 C ATOM 31184 C6 A B1507 -827.406 8.597 140.590 1.00853.62 C ATOM 31185 N6 A B1507 -826.970 9.261 139.517 1.00853.62 N ATOM 31186 N1 A B1507 -828.533 7.858 140.476 1.00853.62 N ATOM 31187 C2 A B1507 -828.967 7.187 141.549 1.00853.62 C ATOM 31188 N3 A B1507 -828.449 7.128 142.774 1.00853.62 N ATOM 31189 C4 A B1507 -827.332 7.871 142.853 1.00853.62 C ATOM 31190 P G B1508 -825.872 2.934 145.377 1.00853.62 P ATOM 31191 O1P G B1508 -825.388 1.712 146.064 1.00853.62 O ATOM 31192 O2P G B1508 -825.441 3.218 143.984 1.00853.62 O ATOM 31193 O5* G B1508 -827.465 2.920 145.412 1.00853.62 O ATOM 31194 C5* G B1508 -828.199 2.145 144.464 1.00853.62 C ATOM 31195 C4* G B1508 -829.285 1.358 145.154 1.00853.62 C ATOM 31196 O4* G B1508 -828.706 0.265 145.915 1.00853.62 O ATOM 31197 C3* G B1508 -830.097 2.175 146.143 1.00853.62 C ATOM 31198 O3* G B1508 -831.202 2.811 145.505 1.00853.62 O ATOM 31199 C2* G B1508 -830.548 1.132 147.162 1.00853.62 C ATOM 31200 O2* G B1508 -831.725 0.456 146.766 1.00853.62 O ATOM 31201 C1* G B1508 -829.371 0.154 147.158 1.00853.62 C ATOM 31202 N9 G B1508 -828.410 0.396 148.231 1.00853.62 N ATOM 31203 C8 G B1508 -827.757 1.570 148.522 1.00853.62 C ATOM 31204 N7 G B1508 -826.951 1.463 149.543 1.00853.62 N ATOM 31205 C5 G B1508 -827.080 0.145 149.951 1.00853.62 C ATOM 31206 C6 G B1508 -826.450 -0.563 151.009 1.00853.62 C ATOM 31207 O6 G B1508 -825.625 -0.146 151.834 1.00853.62 O ATOM 31208 N1 G B1508 -826.876 -1.887 151.063 1.00853.62 N ATOM 31209 C2 G B1508 -827.786 -2.461 150.209 1.00853.62 C ATOM 31210 N2 G B1508 -828.068 -3.753 150.421 1.00853.62 N ATOM 31211 N3 G B1508 -828.375 -1.814 149.221 1.00853.62 N ATOM 31212 C4 G B1508 -827.979 -0.528 149.148 1.00853.62 C ATOM 31213 P A B1509 -831.669 4.270 145.989 1.00853.62 P ATOM 31214 O1P A B1509 -830.461 4.991 146.469 1.00853.62 O ATOM 31215 O2P A B1509 -832.834 4.109 146.893 1.00853.62 O ATOM 31216 O5* A B1509 -832.171 4.984 144.655 1.00853.62 O ATOM 31217 C5* A B1509 -831.259 5.666 143.797 1.00853.62 C ATOM 31218 C4* A B1509 -831.944 6.841 143.136 1.00853.62 C ATOM 31219 O4* A B1509 -832.944 6.362 142.207 1.00853.62 O ATOM 31220 C3* A B1509 -832.686 7.814 144.036 1.00853.62 C ATOM 31221 O3* A B1509 -831.791 8.779 144.589 1.00853.62 O ATOM 31222 C2* A B1509 -833.708 8.447 143.092 1.00853.62 C ATOM 31223 O2* A B1509 -833.174 9.534 142.367 1.00853.62 O ATOM 31224 C1* A B1509 -834.007 7.295 142.129 1.00853.62 C ATOM 31225 N9 A B1509 -835.262 6.586 142.392 1.00853.62 N ATOM 31226 C8 A B1509 -835.430 5.271 142.744 1.00853.62 C ATOM 31227 N7 A B1509 -836.684 4.918 142.884 1.00853.62 N ATOM 31228 C5 A B1509 -837.394 6.082 142.611 1.00853.62 C ATOM 31229 C6 A B1509 -838.766 6.373 142.587 1.00853.62 C ATOM 31230 N6 A B1509 -839.719 5.472 142.849 1.00853.62 N ATOM 31231 N1 A B1509 -839.140 7.633 142.279 1.00853.62 N ATOM 31232 C2 A B1509 -838.186 8.535 142.011 1.00853.62 C ATOM 31233 N3 A B1509 -836.861 8.383 142.001 1.00853.62 N ATOM 31234 C4 A B1509 -836.526 7.121 142.311 1.00853.62 C ATOM 31235 P A B1510 -830.961 8.436 145.921 1.00853.62 P ATOM 31236 O1P A B1510 -829.590 8.061 145.499 1.00853.62 O ATOM 31237 O2P A B1510 -831.757 7.495 146.749 1.00853.62 O ATOM 31238 O5* A B1510 -830.872 9.829 146.692 1.00853.62 O ATOM 31239 C5* A B1510 -830.232 9.926 147.964 1.00853.62 C ATOM 31240 C4* A B1510 -831.096 10.708 148.922 1.00853.62 C ATOM 31241 O4* A B1510 -832.470 10.263 148.795 1.00853.62 O ATOM 31242 C3* A B1510 -830.770 10.556 150.397 1.00853.62 C ATOM 31243 O3* A B1510 -829.744 11.466 150.788 1.00853.62 O ATOM 31244 C2* A B1510 -832.102 10.862 151.072 1.00853.62 C ATOM 31245 O2* A B1510 -832.320 12.249 151.238 1.00853.62 O ATOM 31246 C1* A B1510 -833.105 10.311 150.055 1.00853.62 C ATOM 31247 N9 A B1510 -833.578 8.961 150.374 1.00853.62 N ATOM 31248 C8 A B1510 -833.007 7.769 150.003 1.00853.62 C ATOM 31249 N7 A B1510 -833.662 6.715 150.433 1.00853.62 N ATOM 31250 C5 A B1510 -834.732 7.252 151.135 1.00853.62 C ATOM 31251 C6 A B1510 -835.796 6.657 151.835 1.00853.62 C ATOM 31252 N6 A B1510 -835.965 5.336 151.945 1.00853.62 N ATOM 31253 N1 A B1510 -836.691 7.475 152.427 1.00853.62 N ATOM 31254 C2 A B1510 -836.525 8.800 152.315 1.00853.62 C ATOM 31255 N3 A B1510 -835.566 9.477 151.682 1.00853.62 N ATOM 31256 C4 A B1510 -834.692 8.634 151.109 1.00853.62 C ATOM 31257 P A B1511 -828.519 10.949 151.693 1.00853.62 P ATOM 31258 O1P A B1511 -827.706 12.139 152.059 1.00853.62 O ATOM 31259 O2P A B1511 -827.875 9.808 150.993 1.00853.62 O ATOM 31260 O5* A B1511 -829.206 10.393 153.019 1.00853.62 O ATOM 31261 C5* A B1511 -829.234 11.164 154.219 1.00853.62 C ATOM 31262 C4* A B1511 -830.124 10.490 155.237 1.00853.62 C ATOM 31263 O4* A B1511 -831.199 9.819 154.532 1.00853.62 O ATOM 31264 C3* A B1511 -829.498 9.407 156.121 1.00853.62 C ATOM 31265 O3* A B1511 -828.846 9.946 157.267 1.00853.62 O ATOM 31266 C2* A B1511 -830.698 8.541 156.481 1.00853.62 C ATOM 31267 O2* A B1511 -831.434 9.060 157.573 1.00853.62 O ATOM 31268 C1* A B1511 -831.542 8.623 155.207 1.00853.62 C ATOM 31269 N9 A B1511 -831.314 7.519 154.275 1.00853.62 N ATOM 31270 C8 A B1511 -830.263 7.376 153.404 1.00853.62 C ATOM 31271 N7 A B1511 -830.323 6.288 152.677 1.00853.62 N ATOM 31272 C5 A B1511 -831.491 5.670 153.098 1.00853.62 C ATOM 31273 C6 A B1511 -832.122 4.475 152.712 1.00853.62 C ATOM 31274 N6 A B1511 -831.641 3.655 151.776 1.00853.62 N ATOM 31275 N1 A B1511 -833.275 4.146 153.331 1.00853.62 N ATOM 31276 C2 A B1511 -833.758 4.969 154.269 1.00853.62 C ATOM 31277 N3 A B1511 -833.257 6.119 154.721 1.00853.62 N ATOM 31278 C4 A B1511 -832.112 6.417 154.087 1.00853.62 C ATOM 31279 P A B1512 -827.723 9.082 158.026 1.00853.62 P ATOM 31280 O1P A B1512 -827.290 9.858 159.217 1.00853.62 O ATOM 31281 O2P A B1512 -826.713 8.641 157.030 1.00853.62 O ATOM 31282 O5* A B1512 -828.506 7.794 158.541 1.00853.62 O ATOM 31283 C5* A B1512 -829.358 7.849 159.683 1.00853.62 C ATOM 31284 C4* A B1512 -830.147 6.567 159.787 1.00853.62 C ATOM 31285 O4* A B1512 -830.810 6.320 158.517 1.00853.62 O ATOM 31286 C3* A B1512 -829.359 5.310 160.055 1.00853.62 C ATOM 31287 O3* A B1512 -829.120 5.184 161.451 1.00853.62 O ATOM 31288 C2* A B1512 -830.243 4.216 159.471 1.00853.62 C ATOM 31289 O2* A B1512 -831.280 3.821 160.346 1.00853.62 O ATOM 31290 C1* A B1512 -830.826 4.927 158.250 1.00853.62 C ATOM 31291 N9 A B1512 -830.004 4.712 157.062 1.00853.62 N ATOM 31292 C8 A B1512 -828.938 5.477 156.659 1.00853.62 C ATOM 31293 N7 A B1512 -828.358 5.047 155.568 1.00853.62 N ATOM 31294 C5 A B1512 -829.093 3.924 155.220 1.00853.62 C ATOM 31295 C6 A B1512 -828.979 3.012 154.160 1.00853.62 C ATOM 31296 N6 A B1512 -828.043 3.096 153.212 1.00853.62 N ATOM 31297 N1 A B1512 -829.870 2.002 154.100 1.00853.62 N ATOM 31298 C2 A B1512 -830.810 1.920 155.053 1.00853.62 C ATOM 31299 N3 A B1512 -831.016 2.711 156.104 1.00853.62 N ATOM 31300 C4 A B1512 -830.114 3.706 156.132 1.00853.62 C ATOM 31301 P U B1513 -827.910 4.257 161.965 1.00853.62 P ATOM 31302 O1P U B1513 -827.793 4.470 163.428 1.00853.62 O ATOM 31303 O2P U B1513 -826.736 4.498 161.088 1.00853.62 O ATOM 31304 O5* U B1513 -828.425 2.772 161.718 1.00853.62 O ATOM 31305 C5* U B1513 -827.539 1.667 161.865 1.00853.62 C ATOM 31306 C4* U B1513 -828.279 0.484 162.439 1.00853.62 C ATOM 31307 O4* U B1513 -829.115 0.915 163.543 1.00853.62 O ATOM 31308 C3* U B1513 -829.235 -0.256 161.528 1.00853.62 C ATOM 31309 O3* U B1513 -828.516 -1.166 160.705 1.00853.62 O ATOM 31310 C2* U B1513 -830.167 -0.953 162.510 1.00853.62 C ATOM 31311 O2* U B1513 -829.628 -2.165 163.001 1.00853.62 O ATOM 31312 C1* U B1513 -830.252 0.076 163.636 1.00853.62 C ATOM 31313 N1 U B1513 -831.453 0.918 163.518 1.00853.62 N ATOM 31314 C2 U B1513 -832.683 0.304 163.651 1.00853.62 C ATOM 31315 O2 U B1513 -832.807 -0.886 163.883 1.00853.62 O ATOM 31316 N3 U B1513 -833.765 1.137 163.500 1.00853.62 N ATOM 31317 C4 U B1513 -833.740 2.493 163.241 1.00853.62 C ATOM 31318 O4 U B1513 -834.800 3.105 163.110 1.00853.62 O ATOM 31319 C5 U B1513 -832.428 3.053 163.129 1.00853.62 C ATOM 31320 C6 U B1513 -831.357 2.265 163.269 1.00853.62 C ATOM 31321 P C B1514 -829.274 -1.867 159.472 1.00853.62 P ATOM 31322 O1P C B1514 -829.328 -0.875 158.368 1.00853.62 O ATOM 31323 O2P C B1514 -830.534 -2.449 159.993 1.00853.62 O ATOM 31324 O5* C B1514 -828.320 -3.063 159.039 1.00853.62 O ATOM 31325 C5* C B1514 -828.721 -4.414 159.251 1.00853.62 C ATOM 31326 C4* C B1514 -828.710 -5.173 157.944 1.00853.62 C ATOM 31327 O4* C B1514 -829.482 -4.437 156.962 1.00853.62 O ATOM 31328 C3* C B1514 -827.347 -5.357 157.304 1.00853.62 C ATOM 31329 O3* C B1514 -826.691 -6.509 157.818 1.00853.62 O ATOM 31330 C2* C B1514 -827.688 -5.510 155.824 1.00853.62 C ATOM 31331 O2* C B1514 -828.071 -6.827 155.487 1.00853.62 O ATOM 31332 C1* C B1514 -828.891 -4.576 155.682 1.00853.62 C ATOM 31333 N1 C B1514 -828.524 -3.236 155.199 1.00853.62 N ATOM 31334 C2 C B1514 -828.786 -2.898 153.865 1.00853.62 C ATOM 31335 O2 C B1514 -829.334 -3.736 153.133 1.00853.62 O ATOM 31336 N3 C B1514 -828.438 -1.674 153.411 1.00853.62 N ATOM 31337 C4 C B1514 -827.858 -0.797 154.231 1.00853.62 C ATOM 31338 N4 C B1514 -827.530 0.399 153.735 1.00853.62 N ATOM 31339 C5 C B1514 -827.583 -1.110 155.592 1.00853.62 C ATOM 31340 C6 C B1514 -827.928 -2.329 156.031 1.00853.62 C ATOM 31341 P U B1515 -825.086 -6.553 157.867 1.00853.62 P ATOM 31342 O1P U B1515 -824.690 -7.941 158.223 1.00853.62 O ATOM 31343 O2P U B1515 -824.612 -5.420 158.699 1.00853.62 O ATOM 31344 O5* U B1515 -824.652 -6.288 156.358 1.00853.62 O ATOM 31345 C5* U B1515 -824.852 -7.278 155.354 1.00853.62 C ATOM 31346 C4* U B1515 -824.209 -6.841 154.059 1.00853.62 C ATOM 31347 O4* U B1515 -824.875 -5.651 153.565 1.00853.62 O ATOM 31348 C3* U B1515 -822.746 -6.439 154.147 1.00853.62 C ATOM 31349 O3* U B1515 -821.876 -7.565 154.097 1.00853.62 O ATOM 31350 C2* U B1515 -822.579 -5.516 152.945 1.00853.62 C ATOM 31351 O2* U B1515 -822.359 -6.224 151.742 1.00853.62 O ATOM 31352 C1* U B1515 -823.945 -4.825 152.888 1.00853.62 C ATOM 31353 N1 U B1515 -823.949 -3.509 153.537 1.00853.62 N ATOM 31354 C2 U B1515 -823.682 -2.402 152.754 1.00853.62 C ATOM 31355 O2 U B1515 -823.449 -2.479 151.559 1.00853.62 O ATOM 31356 N3 U B1515 -823.698 -1.202 153.420 1.00853.62 N ATOM 31357 C4 U B1515 -823.947 -0.999 154.764 1.00853.62 C ATOM 31358 O4 U B1515 -823.931 0.145 155.217 1.00853.62 O ATOM 31359 C5 U B1515 -824.216 -2.193 155.505 1.00853.62 C ATOM 31360 C6 U B1515 -824.207 -3.377 154.885 1.00853.62 C ATOM 31361 P A B1516 -820.494 -7.531 154.915 1.00853.62 P ATOM 31362 O1P A B1516 -819.770 -8.792 154.616 1.00853.62 O ATOM 31363 O2P A B1516 -820.795 -7.179 156.329 1.00853.62 O ATOM 31364 O5* A B1516 -819.689 -6.328 154.258 1.00853.62 O ATOM 31365 C5* A B1516 -819.244 -6.408 152.910 1.00853.62 C ATOM 31366 C4* A B1516 -818.565 -5.120 152.503 1.00853.62 C ATOM 31367 O4* A B1516 -819.531 -4.038 152.475 1.00853.62 O ATOM 31368 C3* A B1516 -817.495 -4.643 153.455 1.00853.62 C ATOM 31369 O3* A B1516 -816.258 -5.284 153.166 1.00853.62 O ATOM 31370 C2* A B1516 -817.441 -3.145 153.184 1.00853.62 C ATOM 31371 O2* A B1516 -816.643 -2.829 152.060 1.00853.62 O ATOM 31372 C1* A B1516 -818.908 -2.832 152.882 1.00853.62 C ATOM 31373 N9 A B1516 -819.602 -2.330 154.067 1.00853.62 N ATOM 31374 C8 A B1516 -820.166 -3.057 155.088 1.00853.62 C ATOM 31375 N7 A B1516 -820.692 -2.319 156.034 1.00853.62 N ATOM 31376 C5 A B1516 -820.469 -1.017 155.602 1.00853.62 C ATOM 31377 C6 A B1516 -820.786 0.232 156.164 1.00853.62 C ATOM 31378 N6 A B1516 -821.416 0.382 157.330 1.00853.62 N ATOM 31379 N1 A B1516 -820.422 1.338 155.478 1.00853.62 N ATOM 31380 C2 A B1516 -819.783 1.189 154.312 1.00853.62 C ATOM 31381 N3 A B1516 -819.427 0.068 153.682 1.00853.62 N ATOM 31382 C4 A B1516 -819.802 -1.008 154.392 1.00853.62 C ATOM 31383 P C B1517 -815.546 -6.165 154.302 1.00853.62 P ATOM 31384 O1P C B1517 -814.935 -7.344 153.632 1.00853.62 O ATOM 31385 O2P C B1517 -816.512 -6.371 155.411 1.00853.62 O ATOM 31386 O5* C B1517 -814.365 -5.232 154.832 1.00853.62 O ATOM 31387 C5* C B1517 -813.246 -4.941 154.001 1.00853.62 C ATOM 31388 C4* C B1517 -812.691 -3.567 154.315 1.00853.62 C ATOM 31389 O4* C B1517 -813.688 -2.543 154.068 1.00853.62 O ATOM 31390 C3* C B1517 -812.238 -3.363 155.750 1.00853.62 C ATOM 31391 O3* C B1517 -810.904 -3.815 155.954 1.00853.62 O ATOM 31392 C2* C B1517 -812.345 -1.850 155.916 1.00853.62 C ATOM 31393 O2* C B1517 -811.205 -1.169 155.430 1.00853.62 O ATOM 31394 C1* C B1517 -813.547 -1.513 155.033 1.00853.62 C ATOM 31395 N1 C B1517 -814.803 -1.381 155.788 1.00853.62 N ATOM 31396 C2 C B1517 -815.422 -0.124 155.847 1.00853.62 C ATOM 31397 O2 C B1517 -814.894 0.829 155.255 1.00853.62 O ATOM 31398 N3 C B1517 -816.571 0.019 156.543 1.00853.62 N ATOM 31399 C4 C B1517 -817.108 -1.035 157.167 1.00853.62 C ATOM 31400 N4 C B1517 -818.242 -0.847 157.842 1.00853.62 N ATOM 31401 C5 C B1517 -816.503 -2.327 157.121 1.00853.62 C ATOM 31402 C6 C B1517 -815.361 -2.452 156.428 1.00853.62 C ATOM 31403 P C B1518 -810.412 -4.196 157.435 1.00853.62 P ATOM 31404 O1P C B1518 -809.250 -5.107 157.302 1.00853.62 O ATOM 31405 O2P C B1518 -811.601 -4.633 158.216 1.00853.62 O ATOM 31406 O5* C B1518 -809.902 -2.815 158.042 1.00853.62 O ATOM 31407 C5* C B1518 -808.713 -2.198 157.558 1.00853.62 C ATOM 31408 C4* C B1518 -808.556 -0.814 158.148 1.00853.62 C ATOM 31409 O4* C B1518 -809.653 0.020 157.701 1.00853.62 O ATOM 31410 C3* C B1518 -808.602 -0.708 159.664 1.00853.62 C ATOM 31411 O3* C B1518 -807.323 -0.957 160.239 1.00853.62 O ATOM 31412 C2* C B1518 -809.039 0.737 159.892 1.00853.62 C ATOM 31413 O2* C B1518 -807.953 1.641 159.836 1.00853.62 O ATOM 31414 C1* C B1518 -809.963 0.982 158.694 1.00853.62 C ATOM 31415 N1 C B1518 -811.397 0.869 159.010 1.00853.62 N ATOM 31416 C2 C B1518 -812.202 2.018 158.977 1.00853.62 C ATOM 31417 O2 C B1518 -811.688 3.112 158.701 1.00853.62 O ATOM 31418 N3 C B1518 -813.523 1.904 159.246 1.00853.62 N ATOM 31419 C4 C B1518 -814.043 0.712 159.545 1.00853.62 C ATOM 31420 N4 C B1518 -815.351 0.645 159.797 1.00853.62 N ATOM 31421 C5 C B1518 -813.244 -0.467 159.601 1.00853.62 C ATOM 31422 C6 C B1518 -811.940 -0.345 159.329 1.00853.62 C ATOM 31423 P G B1519 -807.190 -1.944 161.499 1.00853.62 P ATOM 31424 O1P G B1519 -805.819 -2.516 161.449 1.00853.62 O ATOM 31425 O2P G B1519 -808.361 -2.857 161.520 1.00853.62 O ATOM 31426 O5* G B1519 -807.270 -0.985 162.769 1.00853.62 O ATOM 31427 C5* G B1519 -806.208 -0.078 163.055 1.00853.62 C ATOM 31428 C4* G B1519 -806.538 0.765 164.267 1.00853.62 C ATOM 31429 O4* G B1519 -807.697 1.599 164.011 1.00853.62 O ATOM 31430 C3* G B1519 -806.860 0.036 165.564 1.00853.62 C ATOM 31431 O3* G B1519 -805.675 -0.332 166.263 1.00853.62 O ATOM 31432 C2* G B1519 -807.657 1.080 166.341 1.00853.62 C ATOM 31433 O2* G B1519 -806.828 1.994 167.029 1.00853.62 O ATOM 31434 C1* G B1519 -808.400 1.813 165.222 1.00853.62 C ATOM 31435 N9 G B1519 -809.776 1.354 165.072 1.00853.62 N ATOM 31436 C8 G B1519 -810.216 0.151 164.574 1.00853.62 C ATOM 31437 N7 G B1519 -811.517 0.043 164.574 1.00853.62 N ATOM 31438 C5 G B1519 -811.963 1.246 165.105 1.00853.62 C ATOM 31439 C6 G B1519 -813.282 1.714 165.353 1.00853.62 C ATOM 31440 O6 G B1519 -814.359 1.144 165.146 1.00853.62 O ATOM 31441 N1 G B1519 -813.275 2.994 165.903 1.00853.62 N ATOM 31442 C2 G B1519 -812.147 3.730 166.176 1.00853.62 C ATOM 31443 N2 G B1519 -812.348 4.941 166.709 1.00853.62 N ATOM 31444 N3 G B1519 -810.917 3.304 165.950 1.00853.62 N ATOM 31445 C4 G B1519 -810.899 2.065 165.416 1.00853.62 C ATOM 31446 P G B1520 -805.657 -1.694 167.124 1.00853.62 P ATOM 31447 O1P G B1520 -804.234 -2.070 167.344 1.00853.62 O ATOM 31448 O2P G B1520 -806.579 -2.661 166.475 1.00853.62 O ATOM 31449 O5* G B1520 -806.282 -1.280 168.527 1.00853.62 O ATOM 31450 C5* G B1520 -806.629 -2.261 169.503 1.00853.62 C ATOM 31451 C4* G B1520 -807.153 -1.588 170.749 1.00853.62 C ATOM 31452 O4* G B1520 -808.194 -0.650 170.380 1.00853.62 O ATOM 31453 C3* G B1520 -807.803 -2.518 171.778 1.00853.62 C ATOM 31454 O3* G B1520 -806.866 -3.132 172.662 1.00853.62 O ATOM 31455 C2* G B1520 -808.781 -1.593 172.492 1.00853.62 C ATOM 31456 O2* G B1520 -808.167 -0.838 173.515 1.00853.62 O ATOM 31457 C1* G B1520 -809.217 -0.657 171.359 1.00853.62 C ATOM 31458 N9 G B1520 -810.455 -1.051 170.689 1.00853.62 N ATOM 31459 C8 G B1520 -810.568 -1.920 169.631 1.00853.62 C ATOM 31460 N7 G B1520 -811.796 -2.066 169.217 1.00853.62 N ATOM 31461 C5 G B1520 -812.540 -1.249 170.053 1.00853.62 C ATOM 31462 C6 G B1520 -813.934 -0.996 170.087 1.00853.62 C ATOM 31463 O6 G B1520 -814.819 -1.452 169.352 1.00853.62 O ATOM 31464 N1 G B1520 -814.268 -0.106 171.102 1.00853.62 N ATOM 31465 C2 G B1520 -813.377 0.469 171.976 1.00853.62 C ATOM 31466 N2 G B1520 -813.900 1.300 172.888 1.00853.62 N ATOM 31467 N3 G B1520 -812.075 0.242 171.956 1.00853.62 N ATOM 31468 C4 G B1520 -811.729 -0.620 170.978 1.00853.62 C ATOM 31469 P U B1521 -807.027 -4.684 173.047 1.00853.62 P ATOM 31470 O1P U B1521 -805.706 -5.147 173.534 1.00853.62 O ATOM 31471 O2P U B1521 -807.680 -5.389 171.912 1.00853.62 O ATOM 31472 O5* U B1521 -808.034 -4.675 174.282 1.00853.62 O ATOM 31473 C5* U B1521 -807.703 -3.977 175.481 1.00853.62 C ATOM 31474 C4* U B1521 -808.961 -3.550 176.203 1.00853.62 C ATOM 31475 O4* U B1521 -809.733 -2.663 175.357 1.00853.62 O ATOM 31476 C3* U B1521 -809.910 -4.690 176.564 1.00853.62 C ATOM 31477 O3* U B1521 -809.595 -5.342 177.788 1.00853.62 O ATOM 31478 C2* U B1521 -811.262 -3.989 176.626 1.00853.62 C ATOM 31479 O2* U B1521 -811.490 -3.360 177.869 1.00853.62 O ATOM 31480 C1* U B1521 -811.118 -2.922 175.540 1.00853.62 C ATOM 31481 N1 U B1521 -811.691 -3.318 174.245 1.00853.62 N ATOM 31482 C2 U B1521 -812.947 -2.833 173.929 1.00853.62 C ATOM 31483 O2 U B1521 -813.581 -2.106 174.671 1.00853.62 O ATOM 31484 N3 U B1521 -813.435 -3.238 172.712 1.00853.62 N ATOM 31485 C4 U B1521 -812.807 -4.058 171.793 1.00853.62 C ATOM 31486 O4 U B1521 -813.372 -4.324 170.733 1.00853.62 O ATOM 31487 C5 U B1521 -811.511 -4.517 172.196 1.00853.62 C ATOM 31488 C6 U B1521 -811.009 -4.141 173.378 1.00853.62 C ATOM 31489 P C B1522 -810.105 -6.845 178.049 1.00853.62 P ATOM 31490 O1P C B1522 -811.221 -6.772 179.026 1.00853.62 O ATOM 31491 O2P C B1522 -808.925 -7.698 178.344 1.00853.62 O ATOM 31492 O5* C B1522 -810.709 -7.301 176.644 1.00853.62 O ATOM 31493 C5* C B1522 -812.111 -7.222 176.398 1.00853.62 C ATOM 31494 C4* C B1522 -812.733 -8.599 176.433 1.00853.62 C ATOM 31495 O4* C B1522 -814.095 -8.523 175.945 1.00853.62 O ATOM 31496 C3* C B1522 -812.059 -9.609 175.508 1.00853.62 C ATOM 31497 O3* C B1522 -810.936 -10.251 176.100 1.00853.62 O ATOM 31498 C2* C B1522 -813.181 -10.612 175.246 1.00853.62 C ATOM 31499 O2* C B1522 -813.299 -11.572 176.272 1.00853.62 O ATOM 31500 C1* C B1522 -814.420 -9.712 175.249 1.00853.62 C ATOM 31501 N1 C B1522 -814.874 -9.360 173.894 1.00853.62 N ATOM 31502 C2 C B1522 -815.811 -10.187 173.272 1.00853.62 C ATOM 31503 O2 C B1522 -816.251 -11.163 173.891 1.00853.62 O ATOM 31504 N3 C B1522 -816.214 -9.902 172.012 1.00853.62 N ATOM 31505 C4 C B1522 -815.719 -8.836 171.379 1.00853.62 C ATOM 31506 N4 C B1522 -816.133 -8.606 170.128 1.00853.62 N ATOM 31507 C5 C B1522 -814.778 -7.962 171.998 1.00853.62 C ATOM 31508 C6 C B1522 -814.387 -8.261 173.244 1.00853.62 C ATOM 31509 P A B1523 -809.528 -10.281 175.316 1.00853.62 P ATOM 31510 O1P A B1523 -808.651 -11.254 176.016 1.00853.62 O ATOM 31511 O2P A B1523 -809.071 -8.880 175.135 1.00853.62 O ATOM 31512 O5* A B1523 -809.883 -10.875 173.883 1.00853.62 O ATOM 31513 C5* A B1523 -810.540 -12.134 173.739 1.00853.62 C ATOM 31514 C4* A B1523 -811.318 -12.160 172.444 1.00853.62 C ATOM 31515 O4* A B1523 -812.110 -10.946 172.363 1.00853.62 O ATOM 31516 C3* A B1523 -810.563 -12.175 171.121 1.00853.62 C ATOM 31517 O3* A B1523 -810.190 -13.518 170.828 1.00853.62 O ATOM 31518 C2* A B1523 -811.588 -11.623 170.140 1.00853.62 C ATOM 31519 O2* A B1523 -812.498 -12.609 169.689 1.00853.62 O ATOM 31520 C1* A B1523 -812.322 -10.596 171.005 1.00853.62 C ATOM 31521 N9 A B1523 -811.811 -9.240 170.825 1.00853.62 N ATOM 31522 C8 A B1523 -811.017 -8.537 171.698 1.00853.62 C ATOM 31523 N7 A B1523 -810.703 -7.336 171.280 1.00853.62 N ATOM 31524 C5 A B1523 -811.330 -7.239 170.048 1.00853.62 C ATOM 31525 C6 A B1523 -811.387 -6.208 169.096 1.00853.62 C ATOM 31526 N6 A B1523 -810.780 -5.030 169.246 1.00853.62 N ATOM 31527 N1 A B1523 -812.100 -6.431 167.970 1.00853.62 N ATOM 31528 C2 A B1523 -812.712 -7.612 167.823 1.00853.62 C ATOM 31529 N3 A B1523 -812.732 -8.659 168.645 1.00853.62 N ATOM 31530 C4 A B1523 -812.015 -8.406 169.751 1.00853.62 C ATOM 31531 P C B1524 -809.460 -13.851 169.434 1.00853.62 P ATOM 31532 O1P C B1524 -808.236 -13.017 169.363 1.00853.62 O ATOM 31533 O2P C B1524 -810.473 -13.768 168.349 1.00853.62 O ATOM 31534 O5* C B1524 -809.011 -15.372 169.582 1.00853.62 O ATOM 31535 C5* C B1524 -809.612 -16.224 170.554 1.00853.62 C ATOM 31536 C4* C B1524 -810.852 -16.871 169.985 1.00853.62 C ATOM 31537 O4* C B1524 -810.454 -17.947 169.092 1.00853.62 O ATOM 31538 C3* C B1524 -811.786 -17.526 170.995 1.00853.62 C ATOM 31539 O3* C B1524 -812.698 -16.548 171.476 1.00853.62 O ATOM 31540 C2* C B1524 -812.478 -18.603 170.165 1.00853.62 C ATOM 31541 O2* C B1524 -813.565 -18.096 169.418 1.00853.62 O ATOM 31542 C1* C B1524 -811.355 -19.032 169.217 1.00853.62 C ATOM 31543 N1 C B1524 -810.608 -20.191 169.721 1.00853.62 N ATOM 31544 C2 C B1524 -811.020 -21.478 169.350 1.00853.62 C ATOM 31545 O2 C B1524 -811.994 -21.599 168.596 1.00853.62 O ATOM 31546 N3 C B1524 -810.342 -22.549 169.821 1.00853.62 N ATOM 31547 C4 C B1524 -809.296 -22.374 170.632 1.00853.62 C ATOM 31548 N4 C B1524 -808.660 -23.461 171.078 1.00853.62 N ATOM 31549 C5 C B1524 -808.852 -21.077 171.021 1.00853.62 C ATOM 31550 C6 C B1524 -809.529 -20.024 170.546 1.00853.62 C ATOM 31551 P A B1525 -813.883 -16.995 172.470 1.00853.62 P ATOM 31552 O1P A B1525 -813.750 -18.456 172.700 1.00853.62 O ATOM 31553 O2P A B1525 -815.160 -16.445 171.949 1.00853.62 O ATOM 31554 O5* A B1525 -813.533 -16.239 173.829 1.00853.62 O ATOM 31555 C5* A B1525 -814.227 -16.541 175.036 1.00853.62 C ATOM 31556 C4* A B1525 -813.261 -16.557 176.196 1.00853.62 C ATOM 31557 O4* A B1525 -812.794 -15.207 176.456 1.00853.62 O ATOM 31558 C3* A B1525 -813.843 -17.007 177.517 1.00853.62 C ATOM 31559 O3* A B1525 -813.833 -18.429 177.607 1.00853.62 O ATOM 31560 C2* A B1525 -812.919 -16.355 178.543 1.00853.62 C ATOM 31561 O2* A B1525 -811.744 -17.105 178.770 1.00853.62 O ATOM 31562 C1* A B1525 -812.560 -15.040 177.843 1.00853.62 C ATOM 31563 N9 A B1525 -813.368 -13.916 178.311 1.00853.62 N ATOM 31564 C8 A B1525 -814.714 -13.707 178.132 1.00853.62 C ATOM 31565 N7 A B1525 -815.156 -12.601 178.679 1.00853.62 N ATOM 31566 C5 A B1525 -814.024 -12.044 179.261 1.00853.62 C ATOM 31567 C6 A B1525 -813.822 -10.863 179.999 1.00853.62 C ATOM 31568 N6 A B1525 -814.796 -9.998 180.292 1.00853.62 N ATOM 31569 N1 A B1525 -812.571 -10.599 180.431 1.00853.62 N ATOM 31570 C2 A B1525 -811.597 -11.469 180.137 1.00853.62 C ATOM 31571 N3 A B1525 -811.661 -12.610 179.455 1.00853.62 N ATOM 31572 C4 A B1525 -812.917 -12.841 179.038 1.00853.62 C ATOM 31573 P U B1526 -815.084 -19.263 177.037 1.00853.62 P ATOM 31574 O1P U B1526 -815.241 -20.470 177.891 1.00853.62 O ATOM 31575 O2P U B1526 -814.903 -19.423 175.571 1.00853.62 O ATOM 31576 O5* U B1526 -816.333 -18.306 177.283 1.00853.62 O ATOM 31577 C5* U B1526 -817.653 -18.712 176.923 1.00853.62 C ATOM 31578 C4* U B1526 -818.596 -17.538 177.000 1.00853.62 C ATOM 31579 O4* U B1526 -818.015 -16.422 176.279 1.00853.62 O ATOM 31580 C3* U B1526 -819.969 -17.734 176.364 1.00853.62 C ATOM 31581 O3* U B1526 -820.907 -18.357 177.236 1.00853.62 O ATOM 31582 C2* U B1526 -820.380 -16.307 176.018 1.00853.62 C ATOM 31583 O2* U B1526 -820.935 -15.621 177.124 1.00853.62 O ATOM 31584 C1* U B1526 -819.038 -15.675 175.645 1.00853.62 C ATOM 31585 N1 U B1526 -818.786 -15.692 174.199 1.00853.62 N ATOM 31586 C2 U B1526 -819.073 -14.551 173.480 1.00853.62 C ATOM 31587 O2 U B1526 -819.513 -13.538 173.996 1.00853.62 O ATOM 31588 N3 U B1526 -818.826 -14.637 172.133 1.00853.62 N ATOM 31589 C4 U B1526 -818.330 -15.726 171.445 1.00853.62 C ATOM 31590 O4 U B1526 -818.172 -15.655 170.224 1.00853.62 O ATOM 31591 C5 U B1526 -818.053 -16.868 172.263 1.00853.62 C ATOM 31592 C6 U B1526 -818.283 -16.812 173.579 1.00853.62 C ATOM 31593 P G B1527 -822.211 -19.072 176.623 1.00853.62 P ATOM 31594 O1P G B1527 -823.381 -18.597 177.406 1.00853.62 O ATOM 31595 O2P G B1527 -821.939 -20.528 176.522 1.00853.62 O ATOM 31596 O5* G B1527 -822.331 -18.479 175.149 1.00853.62 O ATOM 31597 C5* G B1527 -823.556 -18.554 174.421 1.00853.62 C ATOM 31598 C4* G B1527 -823.318 -18.202 172.968 1.00853.62 C ATOM 31599 O4* G B1527 -822.351 -19.123 172.405 1.00853.62 O ATOM 31600 C3* G B1527 -824.508 -18.288 172.030 1.00853.62 C ATOM 31601 O3* G B1527 -825.286 -17.098 172.067 1.00853.62 O ATOM 31602 C2* G B1527 -823.857 -18.485 170.665 1.00853.62 C ATOM 31603 O2* G B1527 -823.473 -17.264 170.068 1.00853.62 O ATOM 31604 C1* G B1527 -822.608 -19.296 171.023 1.00853.62 C ATOM 31605 N9 G B1527 -822.766 -20.720 170.763 1.00853.62 N ATOM 31606 C8 G B1527 -823.898 -21.480 170.947 1.00853.62 C ATOM 31607 N7 G B1527 -823.732 -22.731 170.621 1.00853.62 N ATOM 31608 C5 G B1527 -822.412 -22.807 170.197 1.00853.62 C ATOM 31609 C6 G B1527 -821.661 -23.909 169.726 1.00853.62 C ATOM 31610 O6 G B1527 -822.025 -25.083 169.577 1.00853.62 O ATOM 31611 N1 G B1527 -820.359 -23.540 169.404 1.00853.62 N ATOM 31612 C2 G B1527 -819.843 -22.273 169.524 1.00853.62 C ATOM 31613 N2 G B1527 -818.562 -22.117 169.166 1.00853.62 N ATOM 31614 N3 G B1527 -820.535 -21.236 169.967 1.00853.62 N ATOM 31615 C4 G B1527 -821.801 -21.573 170.279 1.00853.62 C ATOM 31616 P C B1528 -826.852 -17.154 171.698 1.00853.62 P ATOM 31617 O1P C B1528 -827.467 -15.915 172.237 1.00853.62 O ATOM 31618 O2P C B1528 -827.387 -18.474 172.109 1.00853.62 O ATOM 31619 O5* C B1528 -826.898 -17.066 170.108 1.00853.62 O ATOM 31620 C5* C B1528 -827.954 -17.692 169.370 1.00853.62 C ATOM 31621 C4* C B1528 -827.646 -17.678 167.887 1.00853.62 C ATOM 31622 O4* C B1528 -826.243 -18.000 167.690 1.00853.62 O ATOM 31623 C3* C B1528 -828.382 -18.672 167.025 1.00853.62 C ATOM 31624 O3* C B1528 -829.661 -18.170 166.639 1.00853.62 O ATOM 31625 C2* C B1528 -827.458 -18.849 165.827 1.00853.62 C ATOM 31626 O2* C B1528 -827.631 -17.842 164.850 1.00853.62 O ATOM 31627 C1* C B1528 -826.080 -18.714 166.478 1.00853.62 C ATOM 31628 N1 C B1528 -825.497 -20.024 166.799 1.00853.62 N ATOM 31629 C2 C B1528 -824.187 -20.304 166.393 1.00853.62 C ATOM 31630 O2 C B1528 -823.546 -19.428 165.799 1.00853.62 O ATOM 31631 N3 C B1528 -823.659 -21.519 166.662 1.00853.62 N ATOM 31632 C4 C B1528 -824.383 -22.433 167.309 1.00853.62 C ATOM 31633 N4 C B1528 -823.830 -23.626 167.542 1.00853.62 N ATOM 31634 C5 C B1528 -825.714 -22.171 167.745 1.00853.62 C ATOM 31635 C6 C B1528 -826.227 -20.963 167.475 1.00853.62 C ATOM 31636 P C B1529 -830.579 -19.023 165.624 1.00853.62 P ATOM 31637 O1P C B1529 -830.322 -18.499 164.259 1.00853.62 O ATOM 31638 O2P C B1529 -831.965 -19.032 166.156 1.00853.62 O ATOM 31639 O5* C B1529 -830.011 -20.515 165.692 1.00853.62 O ATOM 31640 C5* C B1529 -830.865 -21.612 166.005 1.00853.62 C ATOM 31641 C4* C B1529 -830.251 -22.919 165.550 1.00853.62 C ATOM 31642 O4* C B1529 -828.882 -22.969 166.022 1.00853.62 O ATOM 31643 C3* C B1529 -830.877 -24.190 166.087 1.00853.62 C ATOM 31644 O3* C B1529 -831.964 -24.602 165.259 1.00853.62 O ATOM 31645 C2* C B1529 -829.734 -25.192 166.020 1.00853.62 C ATOM 31646 O2* C B1529 -829.604 -25.786 164.743 1.00853.62 O ATOM 31647 C1* C B1529 -828.518 -24.309 166.302 1.00853.62 C ATOM 31648 N1 C B1529 -828.077 -24.376 167.703 1.00853.62 N ATOM 31649 C2 C B1529 -827.038 -25.248 168.042 1.00853.62 C ATOM 31650 O2 C B1529 -826.516 -25.935 167.153 1.00853.62 O ATOM 31651 N3 C B1529 -826.631 -25.320 169.333 1.00853.62 N ATOM 31652 C4 C B1529 -827.220 -24.562 170.260 1.00853.62 C ATOM 31653 N4 C B1529 -826.790 -24.667 171.519 1.00853.62 N ATOM 31654 C5 C B1529 -828.282 -23.664 169.940 1.00853.62 C ATOM 31655 C6 C B1529 -828.675 -23.604 168.662 1.00853.62 C ATOM 31656 P U B1530 -833.265 -25.275 165.928 1.00853.62 P ATOM 31657 O1P U B1530 -834.391 -25.106 164.979 1.00853.62 O ATOM 31658 O2P U B1530 -833.392 -24.749 167.315 1.00853.62 O ATOM 31659 O5* U B1530 -832.921 -26.831 166.019 1.00853.62 O ATOM 31660 C5* U B1530 -832.394 -27.537 164.895 1.00853.62 C ATOM 31661 C4* U B1530 -832.616 -29.028 165.057 1.00853.62 C ATOM 31662 O4* U B1530 -832.004 -29.449 166.302 1.00853.62 O ATOM 31663 C3* U B1530 -834.048 -29.552 165.157 1.00853.62 C ATOM 31664 O3* U B1530 -834.654 -29.752 163.880 1.00853.62 O ATOM 31665 C2* U B1530 -833.868 -30.873 165.895 1.00853.62 C ATOM 31666 O2* U B1530 -833.496 -31.930 165.034 1.00853.62 O ATOM 31667 C1* U B1530 -832.703 -30.557 166.834 1.00853.62 C ATOM 31668 N1 U B1530 -833.120 -30.211 168.202 1.00853.62 N ATOM 31669 C2 U B1530 -833.445 -31.246 169.059 1.00853.62 C ATOM 31670 O2 U B1530 -833.411 -32.419 168.723 1.00853.62 O ATOM 31671 N3 U B1530 -833.817 -30.856 170.323 1.00853.62 N ATOM 31672 C4 U B1530 -833.894 -29.563 170.805 1.00853.62 C ATOM 31673 O4 U B1530 -834.217 -29.375 171.976 1.00853.62 O ATOM 31674 C5 U B1530 -833.545 -28.553 169.855 1.00853.62 C ATOM 31675 C6 U B1530 -833.181 -28.903 168.617 1.00853.62 C ATOM 31676 P C B1531 -836.136 -30.377 163.781 1.00853.62 P ATOM 31677 O1P C B1531 -836.762 -29.848 162.543 1.00853.62 O ATOM 31678 O2P C B1531 -836.821 -30.190 165.084 1.00853.62 O ATOM 31679 O5* C B1531 -835.886 -31.938 163.569 1.00853.62 O ATOM 31680 C5* C B1531 -836.492 -32.904 164.432 1.00853.62 C ATOM 31681 C4* C B1531 -836.267 -34.301 163.897 1.00853.62 C ATOM 31682 O4* C B1531 -834.845 -34.491 163.687 1.00853.62 O ATOM 31683 C3* C B1531 -836.670 -35.457 164.789 1.00853.62 C ATOM 31684 O3* C B1531 -838.049 -35.769 164.616 1.00853.62 O ATOM 31685 C2* C B1531 -835.781 -36.592 164.303 1.00853.62 C ATOM 31686 O2* C B1531 -836.306 -37.247 163.165 1.00853.62 O ATOM 31687 C1* C B1531 -834.500 -35.846 163.922 1.00853.62 C ATOM 31688 N1 C B1531 -833.494 -35.879 164.993 1.00853.62 N ATOM 31689 C2 C B1531 -832.550 -36.908 165.005 1.00853.62 C ATOM 31690 O2 C B1531 -832.584 -37.764 164.109 1.00853.62 O ATOM 31691 N3 C B1531 -831.627 -36.946 165.994 1.00853.62 N ATOM 31692 C4 C B1531 -831.626 -36.004 166.939 1.00853.62 C ATOM 31693 N4 C B1531 -830.696 -36.081 167.894 1.00853.62 N ATOM 31694 C5 C B1531 -832.573 -34.943 166.950 1.00853.62 C ATOM 31695 C6 C B1531 -833.479 -34.916 165.966 1.00853.62 C ATOM 31696 P A B1532 -839.006 -35.907 165.903 1.00853.62 P ATOM 31697 O1P A B1532 -840.401 -35.989 165.398 1.00853.62 O ATOM 31698 O2P A B1532 -838.642 -34.848 166.875 1.00853.62 O ATOM 31699 O5* A B1532 -838.627 -37.322 166.532 1.00853.62 O ATOM 31700 C5* A B1532 -839.351 -38.495 166.170 1.00853.62 C ATOM 31701 C4* A B1532 -838.684 -39.728 166.742 1.00853.62 C ATOM 31702 O4* A B1532 -837.295 -39.782 166.325 1.00853.62 O ATOM 31703 C3* A B1532 -838.637 -39.850 168.256 1.00853.62 C ATOM 31704 O3* A B1532 -839.851 -40.388 168.763 1.00853.62 O ATOM 31705 C2* A B1532 -837.460 -40.792 168.480 1.00853.62 C ATOM 31706 O2* A B1532 -837.817 -42.152 168.339 1.00853.62 O ATOM 31707 C1* A B1532 -836.517 -40.388 167.347 1.00853.62 C ATOM 31708 N9 A B1532 -835.508 -39.430 167.798 1.00853.62 N ATOM 31709 C8 A B1532 -835.148 -38.236 167.225 1.00853.62 C ATOM 31710 N7 A B1532 -834.221 -37.591 167.888 1.00853.62 N ATOM 31711 C5 A B1532 -833.943 -38.419 168.968 1.00853.62 C ATOM 31712 C6 A B1532 -833.049 -38.301 170.048 1.00853.62 C ATOM 31713 N6 A B1532 -832.238 -37.259 170.228 1.00853.62 N ATOM 31714 N1 A B1532 -833.018 -39.308 170.950 1.00853.62 N ATOM 31715 C2 A B1532 -833.838 -40.355 170.769 1.00853.62 C ATOM 31716 N3 A B1532 -834.720 -40.575 169.799 1.00853.62 N ATOM 31717 C4 A B1532 -834.724 -39.560 168.919 1.00853.62 C ATOM 31718 P G B1533 -839.336 -39.890 171.179 1.00856.58 P ATOM 31719 O1P G B1533 -840.429 -40.784 171.639 1.00856.58 O ATOM 31720 O2P G B1533 -839.637 -38.473 170.851 1.00856.58 O ATOM 31721 O5* G B1533 -838.179 -39.914 172.274 1.00856.58 O ATOM 31722 C5* G B1533 -837.557 -41.141 172.643 1.00856.58 C ATOM 31723 C4* G B1533 -836.568 -40.916 173.766 1.00856.58 C ATOM 31724 O4* G B1533 -835.907 -39.638 173.603 1.00856.58 O ATOM 31725 C3* G B1533 -837.119 -40.872 175.185 1.00856.58 C ATOM 31726 O3* G B1533 -837.300 -42.182 175.702 1.00856.58 O ATOM 31727 C2* G B1533 -836.037 -40.109 175.934 1.00856.58 C ATOM 31728 O2* G B1533 -834.957 -40.935 176.326 1.00856.58 O ATOM 31729 C1* G B1533 -835.560 -39.115 174.875 1.00856.58 C ATOM 31730 N9 G B1533 -836.191 -37.809 175.030 1.00856.58 N ATOM 31731 C8 G B1533 -837.087 -37.209 174.178 1.00856.58 C ATOM 31732 N7 G B1533 -837.496 -36.044 174.603 1.00856.58 N ATOM 31733 C5 G B1533 -836.820 -35.860 175.804 1.00856.58 C ATOM 31734 C6 G B1533 -836.858 -34.779 176.723 1.00856.58 C ATOM 31735 O6 G B1533 -837.516 -33.734 176.660 1.00856.58 O ATOM 31736 N1 G B1533 -836.014 -35.005 177.809 1.00856.58 N ATOM 31737 C2 G B1533 -835.239 -36.125 177.987 1.00856.58 C ATOM 31738 N2 G B1533 -834.492 -36.156 179.102 1.00856.58 N ATOM 31739 N3 G B1533 -835.196 -37.138 177.138 1.00856.58 N ATOM 31740 C4 G B1533 -836.006 -36.939 176.077 1.00856.58 C ATOM 31741 P A B1534 -838.384 -42.435 176.860 1.00856.58 P ATOM 31742 O1P A B1534 -838.864 -43.835 176.721 1.00856.58 O ATOM 31743 O2P A B1534 -839.365 -41.318 176.836 1.00856.58 O ATOM 31744 O5* A B1534 -837.543 -42.333 178.209 1.00856.58 O ATOM 31745 C5* A B1534 -838.007 -42.957 179.400 1.00856.58 C ATOM 31746 C4* A B1534 -836.944 -42.929 180.474 1.00856.58 C ATOM 31747 O4* A B1534 -835.744 -43.611 180.021 1.00856.58 O ATOM 31748 C3* A B1534 -836.471 -41.553 180.900 1.00856.58 C ATOM 31749 O3* A B1534 -837.341 -41.003 181.879 1.00856.58 O ATOM 31750 C2* A B1534 -835.089 -41.842 181.477 1.00856.58 C ATOM 31751 O2* A B1534 -835.139 -42.293 182.814 1.00856.58 O ATOM 31752 C1* A B1534 -834.600 -42.975 180.570 1.00856.58 C ATOM 31753 N9 A B1534 -833.774 -42.453 179.485 1.00856.58 N ATOM 31754 C8 A B1534 -833.584 -41.151 179.096 1.00856.58 C ATOM 31755 N7 A B1534 -832.740 -41.016 178.100 1.00856.58 N ATOM 31756 C5 A B1534 -832.355 -42.318 177.811 1.00856.58 C ATOM 31757 C6 A B1534 -831.468 -42.858 176.860 1.00856.58 C ATOM 31758 N6 A B1534 -830.774 -42.120 175.992 1.00856.58 N ATOM 31759 N1 A B1534 -831.318 -44.200 176.834 1.00856.58 N ATOM 31760 C2 A B1534 -832.008 -44.940 177.710 1.00856.58 C ATOM 31761 N3 A B1534 -832.865 -44.552 178.652 1.00856.58 N ATOM 31762 C4 A B1534 -832.993 -43.213 178.650 1.00856.58 C ATOM 31763 P C B1535 -837.414 -39.406 182.053 1.00856.58 P ATOM 31764 O1P C B1535 -837.356 -38.793 180.701 1.00856.58 O ATOM 31765 O2P C B1535 -836.418 -39.008 183.082 1.00856.58 O ATOM 31766 O5* C B1535 -838.865 -39.155 182.654 1.00856.58 O ATOM 31767 C5* C B1535 -839.300 -39.832 183.835 1.00856.58 C ATOM 31768 C4* C B1535 -840.795 -39.691 183.985 1.00856.58 C ATOM 31769 O4* C B1535 -841.113 -38.318 184.331 1.00856.58 O ATOM 31770 C3* C B1535 -841.612 -39.942 182.743 1.00856.58 C ATOM 31771 O3* C B1535 -841.828 -41.336 182.577 1.00856.58 O ATOM 31772 C2* C B1535 -842.898 -39.173 183.012 1.00856.58 C ATOM 31773 O2* C B1535 -843.816 -39.904 183.801 1.00856.58 O ATOM 31774 C1* C B1535 -842.381 -37.970 183.803 1.00856.58 C ATOM 31775 N1 C B1535 -842.196 -36.761 182.982 1.00856.58 N ATOM 31776 C2 C B1535 -841.320 -35.761 183.421 1.00856.58 C ATOM 31777 O2 C B1535 -840.700 -35.922 184.486 1.00856.58 O ATOM 31778 N3 C B1535 -841.166 -34.644 182.671 1.00856.58 N ATOM 31779 C4 C B1535 -841.845 -34.510 181.529 1.00856.58 C ATOM 31780 N4 C B1535 -841.669 -33.390 180.823 1.00856.58 N ATOM 31781 C5 C B1535 -842.735 -35.515 181.056 1.00856.58 C ATOM 31782 C6 C B1535 -842.879 -36.612 181.808 1.00856.58 C ATOM 31783 P G B1536 -840.843 -42.178 181.630 1.00856.58 P ATOM 31784 O1P G B1536 -841.592 -43.359 181.130 1.00856.58 O ATOM 31785 O2P G B1536 -839.561 -42.377 182.353 1.00856.58 O ATOM 31786 O5* G B1536 -840.574 -41.203 180.403 1.00856.58 O ATOM 31787 C5* G B1536 -841.501 -41.113 179.330 1.00856.58 C ATOM 31788 C4* G B1536 -842.278 -39.824 179.419 1.00856.58 C ATOM 31789 O4* G B1536 -841.465 -38.719 178.952 1.00856.58 O ATOM 31790 C3* G B1536 -843.514 -39.669 178.538 1.00856.58 C ATOM 31791 O3* G B1536 -844.594 -40.353 179.156 1.00856.58 O ATOM 31792 C2* G B1536 -843.727 -38.162 178.439 1.00856.58 C ATOM 31793 O2* G B1536 -844.534 -37.651 179.482 1.00856.58 O ATOM 31794 C1* G B1536 -842.298 -37.635 178.587 1.00856.58 C ATOM 31795 N9 G B1536 -841.761 -37.053 177.360 1.00856.58 N ATOM 31796 C8 G B1536 -841.610 -37.677 176.147 1.00856.58 C ATOM 31797 N7 G B1536 -841.087 -36.904 175.233 1.00856.58 N ATOM 31798 C5 G B1536 -840.882 -35.698 175.883 1.00856.58 C ATOM 31799 C6 G B1536 -840.335 -34.477 175.405 1.00856.58 C ATOM 31800 O6 G B1536 -839.910 -34.216 174.276 1.00856.58 O ATOM 31801 N1 G B1536 -840.311 -33.507 176.398 1.00856.58 N ATOM 31802 C2 G B1536 -840.753 -33.678 177.687 1.00856.58 C ATOM 31803 N2 G B1536 -840.645 -32.619 178.498 1.00856.58 N ATOM 31804 N3 G B1536 -841.261 -34.810 178.146 1.00856.58 N ATOM 31805 C4 G B1536 -841.296 -35.770 177.197 1.00856.58 C ATOM 31806 P U B1537 -845.887 -40.737 178.286 1.00856.58 P ATOM 31807 O1P U B1537 -845.821 -42.194 178.014 1.00856.58 O ATOM 31808 O2P U B1537 -845.994 -39.780 177.152 1.00856.58 O ATOM 31809 O5* U B1537 -847.094 -40.472 179.291 1.00856.58 O ATOM 31810 C5* U B1537 -846.940 -40.738 180.680 1.00856.58 C ATOM 31811 C4* U B1537 -847.244 -39.505 181.494 1.00856.58 C ATOM 31812 O4* U B1537 -846.328 -38.430 181.168 1.00856.58 O ATOM 31813 C3* U B1537 -848.643 -38.951 181.303 1.00856.58 C ATOM 31814 O3* U B1537 -849.542 -39.598 182.194 1.00856.58 O ATOM 31815 C2* U B1537 -848.464 -37.474 181.648 1.00856.58 C ATOM 31816 O2* U B1537 -848.546 -37.226 183.036 1.00856.58 O ATOM 31817 C1* U B1537 -847.036 -37.202 181.172 1.00856.58 C ATOM 31818 N1 U B1537 -846.967 -36.593 179.836 1.00856.58 N ATOM 31819 C2 U B1537 -846.410 -35.331 179.755 1.00856.58 C ATOM 31820 O2 U B1537 -845.980 -34.739 180.729 1.00856.58 O ATOM 31821 N3 U B1537 -846.378 -34.790 178.495 1.00856.58 N ATOM 31822 C4 U B1537 -846.830 -35.369 177.328 1.00856.58 C ATOM 31823 O4 U B1537 -846.730 -34.751 176.268 1.00856.58 O ATOM 31824 C5 U B1537 -847.390 -36.678 177.494 1.00856.58 C ATOM 31825 C6 U B1537 -847.436 -37.232 178.712 1.00856.58 C ATOM 31826 P A B1538 -851.066 -39.831 181.742 1.00856.58 P ATOM 31827 O1P A B1538 -851.666 -40.815 182.678 1.00856.58 O ATOM 31828 O2P A B1538 -851.085 -40.097 180.281 1.00856.58 O ATOM 31829 O5* A B1538 -851.757 -38.417 181.995 1.00856.58 O ATOM 31830 C5* A B1538 -852.104 -38.001 183.313 1.00856.58 C ATOM 31831 C4* A B1538 -853.136 -36.906 183.258 1.00856.58 C ATOM 31832 O4* A B1538 -852.561 -35.725 182.640 1.00856.58 O ATOM 31833 C3* A B1538 -854.329 -37.222 182.407 1.00856.58 C ATOM 31834 O3* A B1538 -855.265 -37.970 183.167 1.00856.58 O ATOM 31835 C2* A B1538 -854.851 -35.850 182.006 1.00856.58 C ATOM 31836 O2* A B1538 -855.674 -35.273 182.998 1.00856.58 O ATOM 31837 C1* A B1538 -853.552 -35.055 181.878 1.00856.58 C ATOM 31838 N9 A B1538 -853.101 -35.013 180.489 1.00856.58 N ATOM 31839 C8 A B1538 -853.037 -36.058 179.599 1.00856.58 C ATOM 31840 N7 A B1538 -852.624 -35.710 178.405 1.00856.58 N ATOM 31841 C5 A B1538 -852.391 -34.347 178.518 1.00856.58 C ATOM 31842 C6 A B1538 -851.942 -33.386 177.596 1.00856.58 C ATOM 31843 N6 A B1538 -851.635 -33.661 176.326 1.00856.58 N ATOM 31844 N1 A B1538 -851.819 -32.113 178.031 1.00856.58 N ATOM 31845 C2 A B1538 -852.128 -31.835 179.304 1.00856.58 C ATOM 31846 N3 A B1538 -852.566 -32.648 180.261 1.00856.58 N ATOM 31847 C4 A B1538 -852.676 -33.905 179.798 1.00856.58 C ATOM 31848 P U B1539 -855.448 -39.541 182.869 1.00856.58 P ATOM 31849 O1P U B1539 -856.008 -40.179 184.085 1.00856.58 O ATOM 31850 O2P U B1539 -854.178 -40.048 182.288 1.00856.58 O ATOM 31851 O5* U B1539 -856.558 -39.582 181.727 1.00856.58 O ATOM 31852 C5* U B1539 -857.256 -38.401 181.341 1.00856.58 C ATOM 31853 C4* U B1539 -857.367 -38.332 179.839 1.00856.58 C ATOM 31854 O4* U B1539 -856.037 -38.291 179.261 1.00856.58 O ATOM 31855 C3* U B1539 -858.026 -39.535 179.196 1.00856.58 C ATOM 31856 O3* U B1539 -859.440 -39.389 179.203 1.00856.58 O ATOM 31857 C2* U B1539 -857.436 -39.539 177.791 1.00856.58 C ATOM 31858 O2* U B1539 -858.108 -38.657 176.916 1.00856.58 O ATOM 31859 C1* U B1539 -856.019 -39.021 178.047 1.00856.58 C ATOM 31860 N1 U B1539 -855.022 -40.093 178.186 1.00856.58 N ATOM 31861 C2 U B1539 -854.258 -40.418 177.082 1.00856.58 C ATOM 31862 O2 U B1539 -854.376 -39.856 176.008 1.00856.58 O ATOM 31863 N3 U B1539 -853.349 -41.428 177.285 1.00856.58 N ATOM 31864 C4 U B1539 -853.130 -42.128 178.454 1.00856.58 C ATOM 31865 O4 U B1539 -852.271 -43.008 178.482 1.00856.58 O ATOM 31866 C5 U B1539 -853.964 -41.735 179.548 1.00856.58 C ATOM 31867 C6 U B1539 -854.859 -40.755 179.380 1.00856.58 C ATOM 31868 P C B1540 -860.340 -40.445 180.013 1.00856.58 P ATOM 31869 O1P C B1540 -861.147 -39.669 180.992 1.00856.58 O ATOM 31870 O2P C B1540 -859.464 -41.542 180.492 1.00856.58 O ATOM 31871 O5* C B1540 -861.328 -41.029 178.907 1.00856.58 O ATOM 31872 C5* C B1540 -860.988 -40.945 177.531 1.00856.58 C ATOM 31873 C4* C B1540 -860.256 -42.190 177.086 1.00856.58 C ATOM 31874 O4* C B1540 -859.130 -42.456 177.962 1.00856.58 O ATOM 31875 C3* C B1540 -861.069 -43.470 177.099 1.00856.58 C ATOM 31876 O3* C B1540 -861.833 -43.616 175.910 1.00856.58 O ATOM 31877 C2* C B1540 -859.988 -44.539 177.195 1.00856.58 C ATOM 31878 O2* C B1540 -859.421 -44.851 175.939 1.00856.58 O ATOM 31879 C1* C B1540 -858.932 -43.853 178.059 1.00856.58 C ATOM 31880 N1 C B1540 -859.017 -44.269 179.469 1.00856.58 N ATOM 31881 C2 C B1540 -857.823 -44.417 180.186 1.00856.58 C ATOM 31882 O2 C B1540 -856.749 -44.176 179.614 1.00856.58 O ATOM 31883 N3 C B1540 -857.873 -44.816 181.475 1.00856.58 N ATOM 31884 C4 C B1540 -859.048 -45.064 182.052 1.00856.58 C ATOM 31885 N4 C B1540 -859.047 -45.463 183.326 1.00856.58 N ATOM 31886 C5 C B1540 -860.280 -44.911 181.350 1.00856.58 C ATOM 31887 C6 C B1540 -860.217 -44.514 180.071 1.00856.58 C ATOM 31888 P G B1541 -862.983 -44.742 175.835 1.00856.58 P ATOM 31889 O1P G B1541 -864.024 -44.262 174.895 1.00856.58 O ATOM 31890 O2P G B1541 -863.362 -45.114 177.222 1.00856.58 O ATOM 31891 O5* G B1541 -862.254 -45.993 175.171 1.00856.58 O ATOM 31892 C5* G B1541 -862.296 -46.200 173.761 1.00856.58 C ATOM 31893 C4* G B1541 -861.122 -47.039 173.317 1.00856.58 C ATOM 31894 O4* G B1541 -859.887 -46.454 173.805 1.00856.58 O ATOM 31895 C3* G B1541 -861.059 -48.473 173.798 1.00856.58 C ATOM 31896 O3* G B1541 -861.889 -49.307 173.002 1.00856.58 O ATOM 31897 C2* G B1541 -859.580 -48.812 173.670 1.00856.58 C ATOM 31898 O2* G B1541 -859.217 -49.186 172.354 1.00856.58 O ATOM 31899 C1* G B1541 -858.927 -47.473 174.018 1.00856.58 C ATOM 31900 N9 G B1541 -858.504 -47.413 175.417 1.00856.58 N ATOM 31901 C8 G B1541 -859.249 -47.745 176.520 1.00856.58 C ATOM 31902 N7 G B1541 -858.596 -47.598 177.645 1.00856.58 N ATOM 31903 C5 G B1541 -857.345 -47.138 177.253 1.00856.58 C ATOM 31904 C6 G B1541 -856.206 -46.804 178.032 1.00856.58 C ATOM 31905 O6 G B1541 -856.072 -46.841 179.259 1.00856.58 O ATOM 31906 N1 G B1541 -855.149 -46.389 177.229 1.00856.58 N ATOM 31907 C2 G B1541 -855.178 -46.306 175.859 1.00856.58 C ATOM 31908 N2 G B1541 -854.051 -45.893 175.264 1.00856.58 N ATOM 31909 N3 G B1541 -856.233 -46.614 175.123 1.00856.58 N ATOM 31910 C4 G B1541 -857.274 -47.018 175.883 1.00856.58 C ATOM 31911 P G B1542 -862.389 -50.710 173.594 1.00856.58 P ATOM 31912 O1P G B1542 -863.299 -51.328 172.593 1.00856.58 O ATOM 31913 O2P G B1542 -862.869 -50.482 174.980 1.00856.58 O ATOM 31914 O5* G B1542 -861.060 -51.583 173.668 1.00856.58 O ATOM 31915 C5* G B1542 -860.388 -51.999 172.482 1.00856.58 C ATOM 31916 C4* G B1542 -859.011 -52.506 172.821 1.00856.58 C ATOM 31917 O4* G B1542 -858.253 -51.458 173.477 1.00856.58 O ATOM 31918 C3* G B1542 -858.986 -53.666 173.798 1.00856.58 C ATOM 31919 O3* G B1542 -859.207 -54.917 173.160 1.00856.58 O ATOM 31920 C2* G B1542 -857.611 -53.536 174.443 1.00856.58 C ATOM 31921 O2* G B1542 -856.582 -54.094 173.650 1.00856.58 O ATOM 31922 C1* G B1542 -857.448 -52.014 174.502 1.00856.58 C ATOM 31923 N9 G B1542 -857.917 -51.463 175.770 1.00856.58 N ATOM 31924 C8 G B1542 -859.220 -51.237 176.135 1.00856.58 C ATOM 31925 N7 G B1542 -859.339 -50.752 177.338 1.00856.58 N ATOM 31926 C5 G B1542 -858.034 -50.647 177.798 1.00856.58 C ATOM 31927 C6 G B1542 -857.534 -50.185 179.040 1.00856.58 C ATOM 31928 O6 G B1542 -858.162 -49.768 180.018 1.00856.58 O ATOM 31929 N1 G B1542 -856.146 -50.242 179.082 1.00856.58 N ATOM 31930 C2 G B1542 -855.340 -50.687 178.064 1.00856.58 C ATOM 31931 N2 G B1542 -854.022 -50.661 178.302 1.00856.58 N ATOM 31932 N3 G B1542 -855.795 -51.126 176.901 1.00856.58 N ATOM 31933 C4 G B1542 -857.141 -51.077 176.838 1.00856.58 C ATOM 31934 P G B1543 -860.214 -55.975 173.831 1.00856.58 P ATOM 31935 O1P G B1543 -861.592 -55.473 173.591 1.00856.58 O ATOM 31936 O2P G B1543 -859.762 -56.240 175.219 1.00856.58 O ATOM 31937 O5* G B1543 -860.021 -57.306 172.974 1.00856.58 O ATOM 31938 C5* G B1543 -858.911 -57.444 172.095 1.00856.58 C ATOM 31939 C4* G B1543 -858.182 -58.736 172.374 1.00856.58 C ATOM 31940 O4* G B1543 -857.526 -58.646 173.663 1.00856.58 O ATOM 31941 C3* G B1543 -859.063 -59.974 172.444 1.00856.58 C ATOM 31942 O3* G B1543 -859.250 -60.562 171.159 1.00856.58 O ATOM 31943 C2* G B1543 -858.265 -60.898 173.360 1.00856.58 C ATOM 31944 O2* G B1543 -857.281 -61.642 172.667 1.00856.58 O ATOM 31945 C1* G B1543 -857.579 -59.905 174.300 1.00856.58 C ATOM 31946 N9 G B1543 -858.238 -59.770 175.595 1.00856.58 N ATOM 31947 C8 G B1543 -859.426 -59.139 175.883 1.00856.58 C ATOM 31948 N7 G B1543 -859.743 -59.204 177.149 1.00856.58 N ATOM 31949 C5 G B1543 -858.702 -59.920 177.726 1.00856.58 C ATOM 31950 C6 G B1543 -858.485 -60.312 179.074 1.00856.58 C ATOM 31951 O6 G B1543 -859.195 -60.099 180.065 1.00856.58 O ATOM 31952 N1 G B1543 -857.294 -61.021 179.213 1.00856.58 N ATOM 31953 C2 G B1543 -856.428 -61.320 178.190 1.00856.58 C ATOM 31954 N2 G B1543 -855.333 -62.009 178.519 1.00856.58 N ATOM 31955 N3 G B1543 -856.623 -60.963 176.935 1.00856.58 N ATOM 31956 C4 G B1543 -857.767 -60.270 176.775 1.00856.58 C ATOM 31957 P A B1544 -860.726 -60.988 170.675 1.00856.58 P ATOM 31958 O1P A B1544 -860.548 -61.758 169.417 1.00856.58 O ATOM 31959 O2P A B1544 -861.588 -59.782 170.676 1.00856.58 O ATOM 31960 O5* A B1544 -861.258 -61.994 171.789 1.00856.58 O ATOM 31961 C5* A B1544 -860.988 -63.393 171.700 1.00856.58 C ATOM 31962 C4* A B1544 -861.492 -64.112 172.933 1.00856.58 C ATOM 31963 O4* A B1544 -860.887 -63.528 174.115 1.00856.58 O ATOM 31964 C3* A B1544 -862.983 -64.112 173.246 1.00856.58 C ATOM 31965 O3* A B1544 -863.680 -65.104 172.499 1.00856.58 O ATOM 31966 C2* A B1544 -863.013 -64.410 174.742 1.00856.58 C ATOM 31967 O2* A B1544 -862.918 -65.791 175.020 1.00856.58 O ATOM 31968 C1* A B1544 -861.748 -63.702 175.229 1.00856.58 C ATOM 31969 N9 A B1544 -862.023 -62.390 175.814 1.00856.58 N ATOM 31970 C8 A B1544 -862.148 -61.184 175.169 1.00856.58 C ATOM 31971 N7 A B1544 -862.413 -60.181 175.972 1.00856.58 N ATOM 31972 C5 A B1544 -862.465 -60.767 177.230 1.00856.58 C ATOM 31973 C6 A B1544 -862.712 -60.241 178.509 1.00856.58 C ATOM 31974 N6 A B1544 -862.962 -58.952 178.746 1.00856.58 N ATOM 31975 N1 A B1544 -862.693 -61.097 179.557 1.00856.58 N ATOM 31976 C2 A B1544 -862.441 -62.392 179.318 1.00856.58 C ATOM 31977 N3 A B1544 -862.200 -63.005 178.161 1.00856.58 N ATOM 31978 C4 A B1544 -862.227 -62.128 177.147 1.00856.58 C ATOM 31979 P G B1545 -865.251 -65.347 172.761 1.00856.58 P ATOM 31980 O1P G B1545 -865.358 -66.481 173.714 1.00856.58 O ATOM 31981 O2P G B1545 -865.940 -65.418 171.451 1.00856.58 O ATOM 31982 O5* G B1545 -865.735 -64.028 173.517 1.00856.58 O ATOM 31983 C5* G B1545 -866.686 -64.106 174.573 1.00856.58 C ATOM 31984 C4* G B1545 -866.153 -63.464 175.832 1.00856.58 C ATOM 31985 O4* G B1545 -865.628 -62.145 175.527 1.00856.58 O ATOM 31986 C3* G B1545 -867.151 -63.231 176.942 1.00856.58 C ATOM 31987 O3* G B1545 -867.283 -64.405 177.737 1.00856.58 O ATOM 31988 C2* G B1545 -866.519 -62.093 177.736 1.00856.58 C ATOM 31989 O2* G B1545 -865.547 -62.550 178.653 1.00856.58 O ATOM 31990 C1* G B1545 -865.826 -61.289 176.638 1.00856.58 C ATOM 31991 N9 G B1545 -866.619 -60.138 176.218 1.00856.58 N ATOM 31992 C8 G B1545 -867.584 -60.100 175.242 1.00856.58 C ATOM 31993 N7 G B1545 -868.147 -58.928 175.122 1.00856.58 N ATOM 31994 C5 G B1545 -867.509 -58.142 176.071 1.00856.58 C ATOM 31995 C6 G B1545 -867.694 -56.779 176.413 1.00856.58 C ATOM 31996 O6 G B1545 -868.492 -55.959 175.933 1.00856.58 O ATOM 31997 N1 G B1545 -866.834 -56.384 177.432 1.00856.58 N ATOM 31998 C2 G B1545 -865.911 -57.195 178.045 1.00856.58 C ATOM 31999 N2 G B1545 -865.168 -56.627 179.006 1.00856.58 N ATOM 32000 N3 G B1545 -865.729 -58.468 177.740 1.00856.58 N ATOM 32001 C4 G B1545 -866.556 -58.873 176.751 1.00856.58 C ATOM 32002 P C B1546 -868.719 -65.117 177.871 1.00856.58 P ATOM 32003 O1P C B1546 -868.480 -66.513 178.316 1.00856.58 O ATOM 32004 O2P C B1546 -869.486 -64.866 176.626 1.00856.58 O ATOM 32005 O5* C B1546 -869.433 -64.338 179.064 1.00856.58 O ATOM 32006 C5* C B1546 -869.406 -64.857 180.392 1.00856.58 C ATOM 32007 C4* C B1546 -870.533 -64.277 181.221 1.00856.58 C ATOM 32008 O4* C B1546 -870.299 -62.866 181.460 1.00856.58 O ATOM 32009 C3* C B1546 -871.947 -64.364 180.632 1.00856.58 C ATOM 32010 O3* C B1546 -872.599 -65.604 180.878 1.00856.58 O ATOM 32011 C2* C B1546 -872.663 -63.217 181.343 1.00856.58 C ATOM 32012 O2* C B1546 -873.148 -63.582 182.618 1.00856.58 O ATOM 32013 C1* C B1546 -871.541 -62.187 181.514 1.00856.58 C ATOM 32014 N1 C B1546 -871.539 -61.099 180.524 1.00856.58 N ATOM 32015 C2 C B1546 -871.986 -59.833 180.926 1.00856.58 C ATOM 32016 O2 C B1546 -872.362 -59.674 182.095 1.00856.58 O ATOM 32017 N3 C B1546 -871.996 -58.820 180.028 1.00856.58 N ATOM 32018 C4 C B1546 -871.581 -59.032 178.779 1.00856.58 C ATOM 32019 N4 C B1546 -871.604 -58.001 177.929 1.00856.58 N ATOM 32020 C5 C B1546 -871.121 -60.311 178.342 1.00856.58 C ATOM 32021 C6 C B1546 -871.121 -61.306 179.239 1.00856.58 C ATOM 32022 P U B1547 -873.806 -66.076 179.929 1.00856.58 P ATOM 32023 O1P U B1547 -875.002 -65.294 180.334 1.00856.58 O ATOM 32024 O2P U B1547 -873.862 -67.558 179.931 1.00856.58 O ATOM 32025 O5* U B1547 -873.368 -65.587 178.477 1.00856.58 O ATOM 32026 C5* U B1547 -874.344 -65.132 177.548 1.00856.58 C ATOM 32027 C4* U B1547 -874.638 -63.667 177.761 1.00856.58 C ATOM 32028 O4* U B1547 -873.494 -62.866 177.371 1.00856.58 O ATOM 32029 C3* U B1547 -875.777 -63.091 176.951 1.00856.58 C ATOM 32030 O3* U B1547 -877.008 -63.366 177.608 1.00856.58 O ATOM 32031 C2* U B1547 -875.465 -61.599 176.940 1.00856.58 C ATOM 32032 O2* U B1547 -875.922 -60.940 178.103 1.00856.58 O ATOM 32033 C1* U B1547 -873.935 -61.597 176.920 1.00856.58 C ATOM 32034 N1 U B1547 -873.410 -61.357 175.569 1.00856.58 N ATOM 32035 C2 U B1547 -873.059 -60.059 175.249 1.00856.58 C ATOM 32036 O2 U B1547 -873.144 -59.138 176.044 1.00856.58 O ATOM 32037 N3 U B1547 -872.605 -59.880 173.967 1.00856.58 N ATOM 32038 C4 U B1547 -872.468 -60.845 172.993 1.00856.58 C ATOM 32039 O4 U B1547 -872.081 -60.513 171.867 1.00856.58 O ATOM 32040 C5 U B1547 -872.835 -62.165 173.402 1.00856.58 C ATOM 32041 C6 U B1547 -873.281 -62.371 174.649 1.00856.58 C ATOM 32042 P U B1548 -878.392 -63.036 176.860 1.00856.58 P ATOM 32043 O1P U B1548 -879.443 -63.919 177.431 1.00856.58 O ATOM 32044 O2P U B1548 -878.139 -63.051 175.396 1.00856.58 O ATOM 32045 O5* U B1548 -878.708 -61.535 177.291 1.00856.58 O ATOM 32046 C5* U B1548 -879.055 -61.218 178.637 1.00856.58 C ATOM 32047 C4* U B1548 -879.137 -59.720 178.813 1.00856.58 C ATOM 32048 O4* U B1548 -877.825 -59.139 178.625 1.00856.58 O ATOM 32049 C3* U B1548 -880.041 -58.923 177.872 1.00856.58 C ATOM 32050 O3* U B1548 -881.403 -58.941 178.291 1.00856.58 O ATOM 32051 C2* U B1548 -879.441 -57.524 177.943 1.00856.58 C ATOM 32052 O2* U B1548 -879.904 -56.791 179.057 1.00856.58 O ATOM 32053 C1* U B1548 -877.950 -57.821 178.122 1.00856.58 C ATOM 32054 N1 U B1548 -877.145 -57.730 176.892 1.00856.58 N ATOM 32055 C2 U B1548 -876.375 -56.597 176.702 1.00856.58 C ATOM 32056 O2 U B1548 -876.357 -55.663 177.483 1.00856.58 O ATOM 32057 N3 U B1548 -875.620 -56.598 175.553 1.00856.58 N ATOM 32058 C4 U B1548 -875.563 -57.596 174.598 1.00856.58 C ATOM 32059 O4 U B1548 -874.815 -57.469 173.631 1.00856.58 O ATOM 32060 C5 U B1548 -876.406 -58.720 174.861 1.00856.58 C ATOM 32061 C6 U B1548 -877.148 -58.746 175.970 1.00856.58 C ATOM 32062 P C B1549 -882.535 -59.503 177.301 1.00856.58 P ATOM 32063 O1P C B1549 -883.818 -58.868 177.695 1.00856.58 O ATOM 32064 O2P C B1549 -882.434 -60.985 177.262 1.00856.58 O ATOM 32065 O5* C B1549 -882.119 -58.936 175.872 1.00856.58 O ATOM 32066 C5* C B1549 -882.556 -57.649 175.443 1.00856.58 C ATOM 32067 C4* C B1549 -882.373 -57.509 173.953 1.00856.58 C ATOM 32068 O4* C B1549 -880.974 -57.694 173.623 1.00856.58 O ATOM 32069 C3* C B1549 -883.030 -58.519 173.034 1.00856.58 C ATOM 32070 O3* C B1549 -884.405 -58.203 172.855 1.00856.58 O ATOM 32071 C2* C B1549 -882.235 -58.422 171.737 1.00856.58 C ATOM 32072 O2* C B1549 -882.717 -57.413 170.874 1.00856.58 O ATOM 32073 C1* C B1549 -880.844 -58.039 172.253 1.00856.58 C ATOM 32074 N1 C B1549 -879.893 -59.156 172.158 1.00856.58 N ATOM 32075 C2 C B1549 -879.179 -59.342 170.974 1.00856.58 C ATOM 32076 O2 C B1549 -879.344 -58.539 170.038 1.00856.58 O ATOM 32077 N3 C B1549 -878.323 -60.383 170.875 1.00856.58 N ATOM 32078 C4 C B1549 -878.169 -61.218 171.905 1.00856.58 C ATOM 32079 N4 C B1549 -877.326 -62.241 171.763 1.00856.58 N ATOM 32080 C5 C B1549 -878.877 -61.046 173.127 1.00856.58 C ATOM 32081 C6 C B1549 -879.719 -60.012 173.209 1.00856.58 C ATOM 32082 P C B1550 -885.525 -59.254 173.326 1.00856.58 P ATOM 32083 O1P C B1550 -886.374 -58.594 174.347 1.00856.58 O ATOM 32084 O2P C B1550 -884.847 -60.535 173.651 1.00856.58 O ATOM 32085 O5* C B1550 -886.408 -59.486 172.018 1.00856.58 O ATOM 32086 C5* C B1550 -887.821 -59.641 172.104 1.00856.58 C ATOM 32087 C4* C B1550 -888.330 -60.410 170.908 1.00856.58 C ATOM 32088 O4* C B1550 -888.030 -59.653 169.707 1.00856.58 O ATOM 32089 C3* C B1550 -887.727 -61.790 170.645 1.00856.58 C ATOM 32090 O3* C B1550 -888.370 -62.803 171.417 1.00856.58 O ATOM 32091 C2* C B1550 -887.945 -61.966 169.149 1.00856.58 C ATOM 32092 O2* C B1550 -889.249 -62.416 168.836 1.00856.58 O ATOM 32093 C1* C B1550 -887.762 -60.538 168.635 1.00856.58 C ATOM 32094 N1 C B1550 -886.397 -60.259 168.158 1.00856.58 N ATOM 32095 C2 C B1550 -886.131 -60.309 166.787 1.00856.58 C ATOM 32096 O2 C B1550 -887.051 -60.591 166.007 1.00856.58 O ATOM 32097 N3 C B1550 -884.876 -60.048 166.349 1.00856.58 N ATOM 32098 C4 C B1550 -883.914 -59.748 167.223 1.00856.58 C ATOM 32099 N4 C B1550 -882.691 -59.494 166.749 1.00856.58 N ATOM 32100 C5 C B1550 -884.157 -59.693 168.625 1.00856.58 C ATOM 32101 C6 C B1550 -885.401 -59.954 169.044 1.00856.58 C ATOM 32102 P U B1551 -887.638 -64.215 171.640 1.00856.58 P ATOM 32103 O1P U B1551 -887.691 -64.957 170.355 1.00856.58 O ATOM 32104 O2P U B1551 -888.188 -64.836 172.871 1.00856.58 O ATOM 32105 O5* U B1551 -886.124 -63.810 171.921 1.00856.58 O ATOM 32106 C5* U B1551 -885.048 -64.495 171.283 1.00856.58 C ATOM 32107 C4* U B1551 -883.732 -63.914 171.737 1.00856.58 C ATOM 32108 O4* U B1551 -883.547 -64.183 173.147 1.00856.58 O ATOM 32109 C3* U B1551 -882.489 -64.487 171.061 1.00856.58 C ATOM 32110 O3* U B1551 -882.201 -63.788 169.854 1.00856.58 O ATOM 32111 C2* U B1551 -881.399 -64.246 172.102 1.00856.58 C ATOM 32112 O2* U B1551 -880.832 -62.955 172.006 1.00856.58 O ATOM 32113 C1* U B1551 -882.173 -64.351 173.421 1.00856.58 C ATOM 32114 N1 U B1551 -881.983 -65.599 174.176 1.00856.58 N ATOM 32115 C2 U B1551 -880.750 -65.801 174.764 1.00856.58 C ATOM 32116 O2 U B1551 -879.833 -65.001 174.673 1.00856.58 O ATOM 32117 N3 U B1551 -880.624 -66.976 175.462 1.00856.58 N ATOM 32118 C4 U B1551 -881.586 -67.947 175.632 1.00856.58 C ATOM 32119 O4 U B1551 -881.321 -68.953 176.296 1.00856.58 O ATOM 32120 C5 U B1551 -882.837 -67.669 174.992 1.00856.58 C ATOM 32121 C6 U B1551 -882.989 -66.531 174.304 1.00856.58 C ATOM 32122 P C B1552 -880.854 -64.103 169.041 1.00856.58 P ATOM 32123 O1P C B1552 -880.495 -65.523 169.291 1.00856.58 O ATOM 32124 O2P C B1552 -879.866 -63.032 169.334 1.00856.58 O ATOM 32125 O5* C B1552 -881.305 -63.966 167.519 1.00856.58 O ATOM 32126 C5* C B1552 -880.535 -63.194 166.597 1.00856.58 C ATOM 32127 C4* C B1552 -880.707 -63.720 165.191 1.00856.58 C ATOM 32128 O4* C B1552 -882.092 -63.580 164.784 1.00856.58 O ATOM 32129 C3* C B1552 -879.919 -62.970 164.128 1.00856.58 C ATOM 32130 O3* C B1552 -878.574 -63.427 164.021 1.00856.58 O ATOM 32131 C2* C B1552 -880.720 -63.253 162.859 1.00856.58 C ATOM 32132 O2* C B1552 -880.383 -64.489 162.263 1.00856.58 O ATOM 32133 C1* C B1552 -882.153 -63.319 163.393 1.00856.58 C ATOM 32134 N1 C B1552 -882.916 -62.077 163.183 1.00856.58 N ATOM 32135 C2 C B1552 -883.962 -62.082 162.255 1.00856.58 C ATOM 32136 O2 C B1552 -884.215 -63.129 161.640 1.00856.58 O ATOM 32137 N3 C B1552 -884.673 -60.949 162.050 1.00856.58 N ATOM 32138 C4 C B1552 -884.369 -59.841 162.736 1.00856.58 C ATOM 32139 N4 C B1552 -885.098 -58.746 162.503 1.00856.58 N ATOM 32140 C5 C B1552 -883.311 -59.810 163.687 1.00856.58 C ATOM 32141 C6 C B1552 -882.616 -60.938 163.878 1.00856.58 C ATOM 32142 P G B1553 -877.363 -62.376 164.151 1.00856.58 P ATOM 32143 O1P G B1553 -876.243 -62.885 163.314 1.00856.58 O ATOM 32144 O2P G B1553 -877.132 -62.102 165.590 1.00856.58 O ATOM 32145 O5* G B1553 -877.926 -61.048 163.472 1.00856.58 O ATOM 32146 C5* G B1553 -878.133 -60.983 162.065 1.00856.58 C ATOM 32147 C4* G B1553 -878.557 -59.591 161.663 1.00856.58 C ATOM 32148 O4* G B1553 -879.863 -59.308 162.235 1.00856.58 O ATOM 32149 C3* G B1553 -877.702 -58.460 162.182 1.00856.58 C ATOM 32150 O3* G B1553 -876.567 -58.268 161.353 1.00856.58 O ATOM 32151 C2* G B1553 -878.648 -57.266 162.145 1.00856.58 C ATOM 32152 O2* G B1553 -878.726 -56.675 160.864 1.00856.58 O ATOM 32153 C1* G B1553 -879.981 -57.920 162.501 1.00856.58 C ATOM 32154 N9 G B1553 -880.284 -57.748 163.918 1.00856.58 N ATOM 32155 C8 G B1553 -879.569 -58.243 164.985 1.00856.58 C ATOM 32156 N7 G B1553 -880.061 -57.888 166.139 1.00856.58 N ATOM 32157 C5 G B1553 -881.176 -57.124 165.819 1.00856.58 C ATOM 32158 C6 G B1553 -882.111 -56.463 166.657 1.00856.58 C ATOM 32159 O6 G B1553 -882.138 -56.417 167.892 1.00856.58 O ATOM 32160 N1 G B1553 -883.087 -55.803 165.914 1.00856.58 N ATOM 32161 C2 G B1553 -883.152 -55.782 164.544 1.00856.58 C ATOM 32162 N2 G B1553 -884.174 -55.092 164.014 1.00856.58 N ATOM 32163 N3 G B1553 -882.287 -56.388 163.752 1.00856.58 N ATOM 32164 C4 G B1553 -881.329 -57.035 164.451 1.00856.58 C ATOM 32165 P G B1554 -875.104 -58.543 161.952 1.00856.58 P ATOM 32166 O1P G B1554 -874.264 -59.092 160.855 1.00856.58 O ATOM 32167 O2P G B1554 -875.249 -59.307 163.215 1.00856.58 O ATOM 32168 O5* G B1554 -874.567 -57.085 162.302 1.00856.58 O ATOM 32169 C5* G B1554 -873.836 -56.845 163.499 1.00856.58 C ATOM 32170 C4* G B1554 -874.750 -56.311 164.578 1.00856.58 C ATOM 32171 O4* G B1554 -875.764 -57.300 164.904 1.00856.58 O ATOM 32172 C3* G B1554 -874.129 -55.986 165.909 1.00856.58 C ATOM 32173 O3* G B1554 -873.501 -54.711 165.845 1.00856.58 O ATOM 32174 C2* G B1554 -875.313 -56.039 166.867 1.00856.58 C ATOM 32175 O2* G B1554 -876.076 -54.849 166.857 1.00856.58 O ATOM 32176 C1* G B1554 -876.127 -57.189 166.272 1.00856.58 C ATOM 32177 N9 G B1554 -875.796 -58.456 166.916 1.00856.58 N ATOM 32178 C8 G B1554 -874.533 -58.917 167.196 1.00856.58 C ATOM 32179 N7 G B1554 -874.532 -60.068 167.810 1.00856.58 N ATOM 32180 C5 G B1554 -875.875 -60.391 167.938 1.00856.58 C ATOM 32181 C6 G B1554 -876.487 -61.522 168.529 1.00856.58 C ATOM 32182 O6 G B1554 -875.947 -62.488 169.075 1.00856.58 O ATOM 32183 N1 G B1554 -877.872 -61.456 168.438 1.00856.58 N ATOM 32184 C2 G B1554 -878.582 -60.433 167.860 1.00856.58 C ATOM 32185 N2 G B1554 -879.917 -60.561 167.873 1.00856.58 N ATOM 32186 N3 G B1554 -878.019 -59.365 167.309 1.00856.58 N ATOM 32187 C4 G B1554 -876.671 -59.409 167.384 1.00856.58 C ATOM 32188 P A B1555 -872.969 -54.026 167.199 1.00856.58 P ATOM 32189 O1P A B1555 -871.942 -53.022 166.821 1.00856.58 O ATOM 32190 O2P A B1555 -872.620 -55.110 168.154 1.00856.58 O ATOM 32191 O5* A B1555 -874.246 -53.260 167.762 1.00856.58 O ATOM 32192 C5* A B1555 -874.735 -52.096 167.102 1.00856.58 C ATOM 32193 C4* A B1555 -875.718 -51.366 167.988 1.00856.58 C ATOM 32194 O4* A B1555 -876.988 -52.066 167.979 1.00856.58 O ATOM 32195 C3* A B1555 -875.344 -51.258 169.461 1.00856.58 C ATOM 32196 O3* A B1555 -874.462 -50.183 169.754 1.00856.58 O ATOM 32197 C2* A B1555 -876.702 -51.094 170.134 1.00856.58 C ATOM 32198 O2* A B1555 -877.174 -49.762 170.084 1.00856.58 O ATOM 32199 C1* A B1555 -877.589 -51.983 169.262 1.00856.58 C ATOM 32200 N9 A B1555 -877.704 -53.333 169.807 1.00856.58 N ATOM 32201 C8 A B1555 -877.878 -54.514 169.128 1.00856.58 C ATOM 32202 N7 A B1555 -877.925 -55.570 169.906 1.00856.58 N ATOM 32203 C5 A B1555 -877.779 -55.046 171.185 1.00856.58 C ATOM 32204 C6 A B1555 -877.744 -55.646 172.456 1.00856.58 C ATOM 32205 N6 A B1555 -877.853 -56.961 172.656 1.00856.58 N ATOM 32206 N1 A B1555 -877.583 -54.840 173.526 1.00856.58 N ATOM 32207 C2 A B1555 -877.470 -53.522 173.324 1.00856.58 C ATOM 32208 N3 A B1555 -877.487 -52.841 172.183 1.00856.58 N ATOM 32209 C4 A B1555 -877.647 -53.671 171.136 1.00856.58 C ATOM 32210 P A B1556 -873.017 -50.494 170.391 1.00856.58 P ATOM 32211 O1P A B1556 -872.495 -49.225 170.956 1.00856.58 O ATOM 32212 O2P A B1556 -872.214 -51.229 169.378 1.00856.58 O ATOM 32213 O5* A B1556 -873.323 -51.489 171.598 1.00856.58 O ATOM 32214 C5* A B1556 -874.227 -51.124 172.636 1.00856.58 C ATOM 32215 C4* A B1556 -874.140 -52.109 173.779 1.00856.58 C ATOM 32216 O4* A B1556 -874.485 -53.433 173.298 1.00856.58 O ATOM 32217 C3* A B1556 -872.796 -52.320 174.453 1.00856.58 C ATOM 32218 O3* A B1556 -872.588 -51.286 175.411 1.00856.58 O ATOM 32219 C2* A B1556 -872.952 -53.687 175.103 1.00856.58 C ATOM 32220 O2* A B1556 -873.601 -53.626 176.356 1.00856.58 O ATOM 32221 C1* A B1556 -873.837 -54.414 174.092 1.00856.58 C ATOM 32222 N9 A B1556 -873.061 -55.274 173.200 1.00856.58 N ATOM 32223 C8 A B1556 -873.088 -55.298 171.827 1.00856.58 C ATOM 32224 N7 A B1556 -872.259 -56.164 171.297 1.00856.58 N ATOM 32225 C5 A B1556 -871.650 -56.757 172.396 1.00856.58 C ATOM 32226 C6 A B1556 -870.664 -57.758 172.507 1.00856.58 C ATOM 32227 N6 A B1556 -870.097 -58.361 171.459 1.00856.58 N ATOM 32228 N1 A B1556 -870.279 -58.118 173.747 1.00856.58 N ATOM 32229 C2 A B1556 -870.846 -57.510 174.799 1.00856.58 C ATOM 32230 N3 A B1556 -871.773 -56.556 174.824 1.00856.58 N ATOM 32231 C4 A B1556 -872.137 -56.218 173.573 1.00856.58 C ATOM 32232 P G B1557 -871.127 -51.094 176.058 1.00856.58 P ATOM 32233 O1P G B1557 -870.534 -49.866 175.467 1.00856.58 O ATOM 32234 O2P G B1557 -870.397 -52.382 175.958 1.00856.58 O ATOM 32235 O5* G B1557 -871.424 -50.811 177.597 1.00856.58 O ATOM 32236 C5* G B1557 -872.646 -50.207 178.011 1.00856.58 C ATOM 32237 C4* G B1557 -873.196 -50.931 179.218 1.00856.58 C ATOM 32238 O4* G B1557 -873.429 -52.326 178.889 1.00856.58 O ATOM 32239 C3* G B1557 -872.249 -50.964 180.414 1.00856.58 C ATOM 32240 O3* G B1557 -872.359 -49.785 181.204 1.00856.58 O ATOM 32241 C2* G B1557 -872.685 -52.227 181.151 1.00856.58 C ATOM 32242 O2* G B1557 -873.807 -52.012 181.984 1.00856.58 O ATOM 32243 C1* G B1557 -873.074 -53.144 179.990 1.00856.58 C ATOM 32244 N9 G B1557 -871.995 -54.018 179.553 1.00856.58 N ATOM 32245 C8 G B1557 -871.343 -53.974 178.344 1.00856.58 C ATOM 32246 N7 G B1557 -870.412 -54.879 178.226 1.00856.58 N ATOM 32247 C5 G B1557 -870.448 -55.567 179.431 1.00856.58 C ATOM 32248 C6 G B1557 -869.665 -56.658 179.885 1.00856.58 C ATOM 32249 O6 G B1557 -868.761 -57.258 179.288 1.00856.58 O ATOM 32250 N1 G B1557 -870.024 -57.046 181.169 1.00856.58 N ATOM 32251 C2 G B1557 -871.014 -56.459 181.924 1.00856.58 C ATOM 32252 N2 G B1557 -871.205 -56.983 183.143 1.00856.58 N ATOM 32253 N3 G B1557 -871.750 -55.441 181.514 1.00856.58 N ATOM 32254 C4 G B1557 -871.415 -55.046 180.265 1.00856.58 C ATOM 32255 P C B1558 -871.150 -48.726 181.222 1.00856.58 P ATOM 32256 O1P C B1558 -871.482 -47.692 182.236 1.00856.58 O ATOM 32257 O2P C B1558 -870.865 -48.316 179.823 1.00856.58 O ATOM 32258 O5* C B1558 -869.914 -49.575 181.764 1.00856.58 O ATOM 32259 C5* C B1558 -869.906 -50.061 183.100 1.00856.58 C ATOM 32260 C4* C B1558 -869.089 -51.327 183.200 1.00856.58 C ATOM 32261 O4* C B1558 -869.516 -52.272 182.184 1.00856.58 O ATOM 32262 C3* C B1558 -867.586 -51.218 183.014 1.00856.58 C ATOM 32263 O3* C B1558 -866.950 -50.831 184.227 1.00856.58 O ATOM 32264 C2* C B1558 -867.200 -52.637 182.611 1.00856.58 C ATOM 32265 O2* C B1558 -867.027 -53.488 183.725 1.00856.58 O ATOM 32266 C1* C B1558 -868.421 -53.086 181.805 1.00856.58 C ATOM 32267 N1 C B1558 -868.210 -52.973 180.353 1.00856.58 N ATOM 32268 C2 C B1558 -867.400 -53.924 179.722 1.00856.58 C ATOM 32269 O2 C B1558 -866.902 -54.834 180.405 1.00856.58 O ATOM 32270 N3 C B1558 -867.178 -53.828 178.392 1.00856.58 N ATOM 32271 C4 C B1558 -867.733 -52.837 177.693 1.00856.58 C ATOM 32272 N4 C B1558 -867.480 -52.779 176.383 1.00856.58 N ATOM 32273 C5 C B1558 -868.570 -51.858 178.308 1.00856.58 C ATOM 32274 C6 C B1558 -868.780 -51.964 179.629 1.00856.58 C ATOM 32275 P G B1559 -865.509 -50.121 184.184 1.00856.58 P ATOM 32276 O1P G B1559 -865.182 -49.688 185.567 1.00856.58 O ATOM 32277 O2P G B1559 -865.515 -49.122 183.087 1.00856.58 O ATOM 32278 O5* G B1559 -864.504 -51.291 183.785 1.00856.58 O ATOM 32279 C5* G B1559 -864.351 -52.442 184.611 1.00856.58 C ATOM 32280 C4* G B1559 -863.668 -53.549 183.842 1.00856.58 C ATOM 32281 O4* G B1559 -864.427 -53.839 182.642 1.00856.58 O ATOM 32282 C3* G B1559 -862.286 -53.166 183.360 1.00856.58 C ATOM 32283 O3* G B1559 -861.322 -53.497 184.349 1.00856.58 O ATOM 32284 C2* G B1559 -862.118 -53.983 182.085 1.00856.58 C ATOM 32285 O2* G B1559 -861.688 -55.304 182.336 1.00856.58 O ATOM 32286 C1* G B1559 -863.548 -54.001 181.541 1.00856.58 C ATOM 32287 N9 G B1559 -863.794 -52.905 180.609 1.00856.58 N ATOM 32288 C8 G B1559 -863.857 -51.566 180.911 1.00856.58 C ATOM 32289 N7 G B1559 -864.077 -50.815 179.868 1.00856.58 N ATOM 32290 C5 G B1559 -864.168 -51.711 178.811 1.00856.58 C ATOM 32291 C6 G B1559 -864.397 -51.481 177.432 1.00856.58 C ATOM 32292 O6 G B1559 -864.572 -50.408 176.845 1.00856.58 O ATOM 32293 N1 G B1559 -864.415 -52.673 176.712 1.00856.58 N ATOM 32294 C2 G B1559 -864.236 -53.924 177.250 1.00856.58 C ATOM 32295 N2 G B1559 -864.289 -54.949 176.390 1.00856.58 N ATOM 32296 N3 G B1559 -864.020 -54.149 178.536 1.00856.58 N ATOM 32297 C4 G B1559 -863.999 -53.009 179.252 1.00856.58 C ATOM 32298 P A B1560 -860.137 -52.469 184.670 1.00856.58 P ATOM 32299 O1P A B1560 -860.276 -52.056 186.089 1.00856.58 O ATOM 32300 O2P A B1560 -860.107 -51.432 183.605 1.00856.58 O ATOM 32301 O5* A B1560 -858.822 -53.357 184.543 1.00856.58 O ATOM 32302 C5* A B1560 -858.558 -54.396 185.475 1.00856.58 C ATOM 32303 C4* A B1560 -857.783 -55.504 184.808 1.00856.58 C ATOM 32304 O4* A B1560 -858.564 -56.080 183.729 1.00856.58 O ATOM 32305 C3* A B1560 -856.466 -55.090 184.180 1.00856.58 C ATOM 32306 O3* A B1560 -855.425 -55.088 185.146 1.00856.58 O ATOM 32307 C2* A B1560 -856.268 -56.141 183.092 1.00856.58 C ATOM 32308 O2* A B1560 -855.694 -57.331 183.591 1.00856.58 O ATOM 32309 C1* A B1560 -857.707 -56.412 182.649 1.00856.58 C ATOM 32310 N9 A B1560 -858.105 -55.617 181.488 1.00856.58 N ATOM 32311 C8 A B1560 -858.807 -54.438 181.480 1.00856.58 C ATOM 32312 N7 A B1560 -859.008 -53.950 180.279 1.00856.58 N ATOM 32313 C5 A B1560 -858.399 -54.871 179.440 1.00856.58 C ATOM 32314 C6 A B1560 -858.262 -54.930 178.042 1.00856.58 C ATOM 32315 N6 A B1560 -858.751 -54.008 177.209 1.00856.58 N ATOM 32316 N1 A B1560 -857.597 -55.983 177.519 1.00856.58 N ATOM 32317 C2 A B1560 -857.108 -56.910 178.355 1.00856.58 C ATOM 32318 N3 A B1560 -857.172 -56.962 179.684 1.00856.58 N ATOM 32319 C4 A B1560 -857.841 -55.904 180.172 1.00856.58 C ATOM 32320 P A B1561 -854.033 -54.354 184.819 1.00856.58 P ATOM 32321 O1P A B1561 -853.199 -54.396 186.046 1.00856.58 O ATOM 32322 O2P A B1561 -854.334 -53.048 184.179 1.00856.58 O ATOM 32323 O5* A B1561 -853.359 -55.300 183.725 1.00856.58 O ATOM 32324 C5* A B1561 -852.428 -56.305 184.117 1.00856.58 C ATOM 32325 C4* A B1561 -851.407 -56.524 183.026 1.00856.58 C ATOM 32326 O4* A B1561 -852.084 -56.898 181.796 1.00856.58 O ATOM 32327 C3* A B1561 -850.612 -55.309 182.641 1.00856.58 C ATOM 32328 O3* A B1561 -849.522 -55.159 183.541 1.00856.58 O ATOM 32329 C2* A B1561 -850.169 -55.618 181.217 1.00856.58 C ATOM 32330 O2* A B1561 -849.013 -56.432 181.174 1.00856.58 O ATOM 32331 C1* A B1561 -851.370 -56.397 180.681 1.00856.58 C ATOM 32332 N9 A B1561 -852.270 -55.539 179.916 1.00856.58 N ATOM 32333 C8 A B1561 -852.868 -54.374 180.332 1.00856.58 C ATOM 32334 N7 A B1561 -853.606 -53.803 179.412 1.00856.58 N ATOM 32335 C5 A B1561 -853.492 -54.648 178.319 1.00856.58 C ATOM 32336 C6 A B1561 -854.036 -54.598 177.024 1.00856.58 C ATOM 32337 N6 A B1561 -854.831 -53.618 176.593 1.00856.58 N ATOM 32338 N1 A B1561 -853.728 -55.600 176.173 1.00856.58 N ATOM 32339 C2 A B1561 -852.924 -56.579 176.604 1.00856.58 C ATOM 32340 N3 A B1561 -852.349 -56.738 177.795 1.00856.58 N ATOM 32341 C4 A B1561 -852.676 -55.726 178.616 1.00856.58 C ATOM 32342 P G B1562 -849.156 -53.697 184.103 1.00856.58 P ATOM 32343 O1P G B1562 -847.802 -53.776 184.706 1.00856.58 O ATOM 32344 O2P G B1562 -850.298 -53.214 184.919 1.00856.58 O ATOM 32345 O5* G B1562 -849.063 -52.796 182.791 1.00856.58 O ATOM 32346 C5* G B1562 -848.021 -51.837 182.639 1.00856.58 C ATOM 32347 C4* G B1562 -848.421 -50.779 181.636 1.00856.58 C ATOM 32348 O4* G B1562 -849.604 -50.081 182.103 1.00856.58 O ATOM 32349 C3* G B1562 -847.403 -49.686 181.389 1.00856.58 C ATOM 32350 O3* G B1562 -846.456 -50.121 180.418 1.00856.58 O ATOM 32351 C2* G B1562 -848.260 -48.527 180.894 1.00856.58 C ATOM 32352 O2* G B1562 -848.538 -48.607 179.509 1.00856.58 O ATOM 32353 C1* G B1562 -849.555 -48.730 181.686 1.00856.58 C ATOM 32354 N9 G B1562 -849.640 -47.873 182.868 1.00856.58 N ATOM 32355 C8 G B1562 -848.855 -47.926 183.995 1.00856.58 C ATOM 32356 N7 G B1562 -849.167 -47.018 184.879 1.00856.58 N ATOM 32357 C5 G B1562 -850.222 -46.325 184.300 1.00856.58 C ATOM 32358 C6 G B1562 -850.982 -45.226 184.784 1.00856.58 C ATOM 32359 O6 G B1562 -850.861 -44.623 185.857 1.00856.58 O ATOM 32360 N1 G B1562 -851.960 -44.840 183.875 1.00856.58 N ATOM 32361 C2 G B1562 -852.183 -45.432 182.658 1.00856.58 C ATOM 32362 N2 G B1562 -853.177 -44.914 181.921 1.00856.58 N ATOM 32363 N3 G B1562 -851.485 -46.453 182.193 1.00856.58 N ATOM 32364 C4 G B1562 -850.529 -46.847 183.060 1.00856.58 C ATOM 32365 P U B1563 -845.107 -49.279 180.190 1.00856.58 P ATOM 32366 O1P U B1563 -844.963 -48.355 181.345 1.00856.58 O ATOM 32367 O2P U B1563 -845.131 -48.725 178.811 1.00856.58 O ATOM 32368 O5* U B1563 -843.947 -50.366 180.276 1.00856.58 O ATOM 32369 C5* U B1563 -843.356 -50.702 181.527 1.00856.58 C ATOM 32370 C4* U B1563 -842.495 -51.940 181.394 1.00856.58 C ATOM 32371 O4* U B1563 -843.321 -53.056 180.977 1.00856.58 O ATOM 32372 C3* U B1563 -841.382 -51.902 180.370 1.00856.58 C ATOM 32373 O3* U B1563 -840.228 -51.295 180.934 1.00856.58 O ATOM 32374 C2* U B1563 -841.141 -53.377 180.069 1.00856.58 C ATOM 32375 O2* U B1563 -840.284 -53.988 181.009 1.00856.58 O ATOM 32376 C1* U B1563 -842.549 -53.958 180.203 1.00856.58 C ATOM 32377 N1 U B1563 -843.209 -54.133 178.901 1.00856.58 N ATOM 32378 C2 U B1563 -843.004 -55.327 178.239 1.00856.58 C ATOM 32379 O2 U B1563 -842.324 -56.234 178.699 1.00856.58 O ATOM 32380 N3 U B1563 -843.625 -55.427 177.018 1.00856.58 N ATOM 32381 C4 U B1563 -844.409 -54.473 176.405 1.00856.58 C ATOM 32382 O4 U B1563 -844.876 -54.698 175.288 1.00856.58 O ATOM 32383 C5 U B1563 -844.578 -53.265 177.159 1.00856.58 C ATOM 32384 C6 U B1563 -843.983 -53.142 178.351 1.00856.58 C ATOM 32385 P U B1564 -839.115 -50.652 179.971 1.00856.58 P ATOM 32386 O1P U B1564 -838.210 -49.838 180.820 1.00856.58 O ATOM 32387 O2P U B1564 -839.806 -50.018 178.818 1.00856.58 O ATOM 32388 O5* U B1564 -838.289 -51.906 179.430 1.00856.58 O ATOM 32389 C5* U B1564 -837.013 -52.224 179.971 1.00856.58 C ATOM 32390 C4* U B1564 -836.335 -53.291 179.137 1.00856.58 C ATOM 32391 O4* U B1564 -837.155 -54.492 179.129 1.00856.58 O ATOM 32392 C3* U B1564 -836.185 -53.057 177.647 1.00856.58 C ATOM 32393 O3* U B1564 -835.065 -52.219 177.389 1.00856.58 O ATOM 32394 C2* U B1564 -835.998 -54.445 177.050 1.00856.58 C ATOM 32395 O2* U B1564 -834.644 -54.857 177.042 1.00856.58 O ATOM 32396 C1* U B1564 -836.796 -55.312 178.028 1.00856.58 C ATOM 32397 N1 U B1564 -838.028 -55.810 177.403 1.00856.58 N ATOM 32398 C2 U B1564 -838.150 -57.173 177.215 1.00856.58 C ATOM 32399 O2 U B1564 -837.299 -57.971 177.568 1.00856.58 O ATOM 32400 N3 U B1564 -839.312 -57.570 176.599 1.00856.58 N ATOM 32401 C4 U B1564 -840.340 -56.754 176.166 1.00856.58 C ATOM 32402 O4 U B1564 -841.324 -57.258 175.622 1.00856.58 O ATOM 32403 C5 U B1564 -840.138 -55.360 176.404 1.00856.58 C ATOM 32404 C6 U B1564 -839.020 -54.946 177.004 1.00856.58 C ATOM 32405 P G B1565 -835.135 -51.156 176.184 1.00856.58 P ATOM 32406 O1P G B1565 -834.557 -49.880 176.679 1.00856.58 O ATOM 32407 O2P G B1565 -836.512 -51.171 175.634 1.00856.58 O ATOM 32408 O5* G B1565 -834.153 -51.755 175.082 1.00856.58 O ATOM 32409 C5* G B1565 -832.906 -52.334 175.458 1.00856.58 C ATOM 32410 C4* G B1565 -832.602 -53.553 174.613 1.00856.58 C ATOM 32411 O4* G B1565 -833.779 -54.396 174.502 1.00856.58 O ATOM 32412 C3* G B1565 -832.139 -53.292 173.185 1.00856.58 C ATOM 32413 O3* G B1565 -830.733 -53.084 173.133 1.00856.58 O ATOM 32414 C2* G B1565 -832.549 -54.576 172.466 1.00856.58 C ATOM 32415 O2* G B1565 -831.597 -55.608 172.614 1.00856.58 O ATOM 32416 C1* G B1565 -833.836 -54.961 173.200 1.00856.58 C ATOM 32417 N9 G B1565 -835.038 -54.479 172.527 1.00856.58 N ATOM 32418 C8 G B1565 -835.659 -53.266 172.691 1.00856.58 C ATOM 32419 N7 G B1565 -836.718 -53.129 171.940 1.00856.58 N ATOM 32420 C5 G B1565 -836.802 -54.325 171.239 1.00856.58 C ATOM 32421 C6 G B1565 -837.744 -54.762 170.268 1.00856.58 C ATOM 32422 O6 G B1565 -838.728 -54.163 169.822 1.00856.58 O ATOM 32423 N1 G B1565 -837.454 -56.044 169.813 1.00856.58 N ATOM 32424 C2 G B1565 -836.393 -56.808 170.234 1.00856.58 C ATOM 32425 N2 G B1565 -836.284 -58.026 169.675 1.00856.58 N ATOM 32426 N3 G B1565 -835.510 -56.415 171.134 1.00856.58 N ATOM 32427 C4 G B1565 -835.772 -55.171 171.592 1.00856.58 C ATOM 32428 P G B1566 -830.087 -52.317 171.877 1.00856.58 P ATOM 32429 O1P G B1566 -828.615 -52.317 172.083 1.00856.58 O ATOM 32430 O2P G B1566 -830.803 -51.029 171.694 1.00856.58 O ATOM 32431 O5* G B1566 -830.413 -53.261 170.637 1.00856.58 O ATOM 32432 C5* G B1566 -829.592 -54.390 170.359 1.00856.58 C ATOM 32433 C4* G B1566 -830.247 -55.298 169.339 1.00856.58 C ATOM 32434 O4* G B1566 -831.603 -55.623 169.747 1.00856.58 O ATOM 32435 C3* G B1566 -830.371 -54.749 167.926 1.00856.58 C ATOM 32436 O3* G B1566 -829.190 -54.956 167.157 1.00856.58 O ATOM 32437 C2* G B1566 -831.539 -55.559 167.366 1.00856.58 C ATOM 32438 O2* G B1566 -831.142 -56.834 166.900 1.00856.58 O ATOM 32439 C1* G B1566 -832.427 -55.727 168.599 1.00856.58 C ATOM 32440 N9 G B1566 -833.468 -54.708 168.649 1.00856.58 N ATOM 32441 C8 G B1566 -833.544 -53.610 169.473 1.00856.58 C ATOM 32442 N7 G B1566 -834.598 -52.872 169.246 1.00856.58 N ATOM 32443 C5 G B1566 -835.260 -53.522 168.213 1.00856.58 C ATOM 32444 C6 G B1566 -836.466 -53.193 167.529 1.00856.58 C ATOM 32445 O6 G B1566 -837.215 -52.223 167.704 1.00856.58 O ATOM 32446 N1 G B1566 -836.770 -54.133 166.554 1.00856.58 N ATOM 32447 C2 G B1566 -836.020 -55.245 166.262 1.00856.58 C ATOM 32448 N2 G B1566 -836.483 -56.034 165.286 1.00856.58 N ATOM 32449 N3 G B1566 -834.895 -55.559 166.884 1.00856.58 N ATOM 32450 C4 G B1566 -834.579 -54.661 167.840 1.00856.58 C ATOM 32451 P A B1567 -829.659 -53.885 165.061 1.00855.43 P ATOM 32452 O1P A B1567 -828.304 -54.235 164.566 1.00855.43 O ATOM 32453 O2P A B1567 -829.920 -52.519 165.578 1.00855.43 O ATOM 32454 O5* A B1567 -830.703 -54.180 163.892 1.00855.43 O ATOM 32455 C5* A B1567 -830.334 -54.979 162.771 1.00855.43 C ATOM 32456 C4* A B1567 -831.451 -55.007 161.753 1.00855.43 C ATOM 32457 O4* A B1567 -832.711 -55.326 162.400 1.00855.43 O ATOM 32458 C3* A B1567 -831.775 -53.776 160.912 1.00855.43 C ATOM 32459 O3* A B1567 -830.870 -53.598 159.830 1.00855.43 O ATOM 32460 C2* A B1567 -833.192 -54.070 160.432 1.00855.43 C ATOM 32461 O2* A B1567 -833.220 -54.916 159.304 1.00855.43 O ATOM 32462 C1* A B1567 -833.785 -54.805 161.637 1.00855.43 C ATOM 32463 N9 A B1567 -834.579 -53.932 162.496 1.00855.43 N ATOM 32464 C8 A B1567 -834.288 -53.501 163.768 1.00855.43 C ATOM 32465 N7 A B1567 -835.207 -52.722 164.285 1.00855.43 N ATOM 32466 C5 A B1567 -836.171 -52.638 163.290 1.00855.43 C ATOM 32467 C6 A B1567 -837.402 -51.963 163.222 1.00855.43 C ATOM 32468 N6 A B1567 -837.892 -51.218 164.217 1.00855.43 N ATOM 32469 N1 A B1567 -838.118 -52.079 162.083 1.00855.43 N ATOM 32470 C2 A B1567 -837.625 -52.827 161.089 1.00855.43 C ATOM 32471 N3 A B1567 -836.485 -53.514 161.036 1.00855.43 N ATOM 32472 C4 A B1567 -835.795 -53.375 162.182 1.00855.43 C ATOM 32473 P A B1568 -830.502 -52.114 159.345 1.00855.43 P ATOM 32474 O1P A B1568 -829.170 -52.175 158.692 1.00855.43 O ATOM 32475 O2P A B1568 -830.720 -51.179 160.478 1.00855.43 O ATOM 32476 O5* A B1568 -831.588 -51.801 158.224 1.00855.43 O ATOM 32477 C5* A B1568 -831.219 -51.767 156.848 1.00855.43 C ATOM 32478 C4* A B1568 -832.312 -51.123 156.032 1.00855.43 C ATOM 32479 O4* A B1568 -833.604 -51.681 156.384 1.00855.43 O ATOM 32480 C3* A B1568 -832.528 -49.618 156.115 1.00855.43 C ATOM 32481 O3* A B1568 -831.577 -48.892 155.358 1.00855.43 O ATOM 32482 C2* A B1568 -833.946 -49.469 155.576 1.00855.43 C ATOM 32483 O2* A B1568 -833.996 -49.488 154.161 1.00855.43 O ATOM 32484 C1* A B1568 -834.618 -50.721 156.140 1.00855.43 C ATOM 32485 N9 A B1568 -835.272 -50.414 157.409 1.00855.43 N ATOM 32486 C8 A B1568 -834.758 -50.572 158.673 1.00855.43 C ATOM 32487 N7 A B1568 -835.559 -50.165 159.625 1.00855.43 N ATOM 32488 C5 A B1568 -836.683 -49.720 158.942 1.00855.43 C ATOM 32489 C6 A B1568 -837.897 -49.163 159.383 1.00855.43 C ATOM 32490 N6 A B1568 -838.186 -48.944 160.667 1.00855.43 N ATOM 32491 N1 A B1568 -838.813 -48.831 158.446 1.00855.43 N ATOM 32492 C2 A B1568 -838.517 -49.045 157.158 1.00855.43 C ATOM 32493 N3 A B1568 -837.411 -49.558 156.620 1.00855.43 N ATOM 32494 C4 A B1568 -836.524 -49.874 157.578 1.00855.43 C ATOM 32495 P A B1569 -831.307 -47.345 155.695 1.00855.43 P ATOM 32496 O1P A B1569 -830.198 -46.881 154.822 1.00855.43 O ATOM 32497 O2P A B1569 -831.201 -47.174 157.166 1.00855.43 O ATOM 32498 O5* A B1569 -832.651 -46.651 155.202 1.00855.43 O ATOM 32499 C5* A B1569 -832.974 -46.651 153.818 1.00855.43 C ATOM 32500 C4* A B1569 -834.271 -45.926 153.573 1.00855.43 C ATOM 32501 O4* A B1569 -835.341 -46.501 154.363 1.00855.43 O ATOM 32502 C3* A B1569 -834.348 -44.432 153.894 1.00855.43 C ATOM 32503 O3* A B1569 -833.734 -43.612 152.909 1.00855.43 O ATOM 32504 C2* A B1569 -835.855 -44.199 153.976 1.00855.43 C ATOM 32505 O2* A B1569 -836.437 -43.986 152.708 1.00855.43 O ATOM 32506 C1* A B1569 -836.359 -45.535 154.528 1.00855.43 C ATOM 32507 N9 A B1569 -836.771 -45.503 155.930 1.00855.43 N ATOM 32508 C8 A B1569 -836.175 -46.086 157.023 1.00855.43 C ATOM 32509 N7 A B1569 -836.807 -45.861 158.150 1.00855.43 N ATOM 32510 C5 A B1569 -837.892 -45.080 157.776 1.00855.43 C ATOM 32511 C6 A B1569 -838.945 -44.505 158.510 1.00855.43 C ATOM 32512 N6 A B1569 -839.089 -44.639 159.828 1.00855.43 N ATOM 32513 N1 A B1569 -839.862 -43.783 157.828 1.00855.43 N ATOM 32514 C2 A B1569 -839.719 -43.651 156.505 1.00855.43 C ATOM 32515 N3 A B1569 -838.773 -44.140 155.704 1.00855.43 N ATOM 32516 C4 A B1569 -837.881 -44.852 156.411 1.00855.43 C ATOM 32517 P C B1570 -833.784 -42.016 153.062 1.00855.43 P ATOM 32518 O1P C B1570 -832.833 -41.446 152.070 1.00855.43 O ATOM 32519 O2P C B1570 -833.635 -41.677 154.500 1.00855.43 O ATOM 32520 O5* C B1570 -835.261 -41.641 152.606 1.00855.43 O ATOM 32521 C5* C B1570 -835.541 -40.365 152.047 1.00855.43 C ATOM 32522 C4* C B1570 -836.367 -40.512 150.792 1.00855.43 C ATOM 32523 O4* C B1570 -835.537 -41.041 149.725 1.00855.43 O ATOM 32524 C3* C B1570 -837.527 -41.481 150.903 1.00855.43 C ATOM 32525 O3* C B1570 -838.669 -40.824 151.444 1.00855.43 O ATOM 32526 C2* C B1570 -837.739 -41.927 149.458 1.00855.43 C ATOM 32527 O2* C B1570 -838.540 -41.020 148.726 1.00855.43 O ATOM 32528 C1* C B1570 -836.312 -41.895 148.901 1.00855.43 C ATOM 32529 N1 C B1570 -835.661 -43.213 148.839 1.00855.43 N ATOM 32530 C2 C B1570 -835.646 -43.896 147.619 1.00855.43 C ATOM 32531 O2 C B1570 -836.169 -43.362 146.627 1.00855.43 O ATOM 32532 N3 C B1570 -835.065 -45.115 147.549 1.00855.43 N ATOM 32533 C4 C B1570 -834.513 -45.654 148.638 1.00855.43 C ATOM 32534 N4 C B1570 -833.955 -46.862 148.527 1.00855.43 N ATOM 32535 C5 C B1570 -834.509 -44.977 149.894 1.00855.43 C ATOM 32536 C6 C B1570 -835.086 -43.768 149.948 1.00855.43 C ATOM 32537 P G B1571 -839.387 -41.398 152.764 1.00855.43 P ATOM 32538 O1P G B1571 -838.493 -42.408 153.380 1.00855.43 O ATOM 32539 O2P G B1571 -840.763 -41.785 152.366 1.00855.43 O ATOM 32540 O5* G B1571 -839.496 -40.154 153.757 1.00855.43 O ATOM 32541 C5* G B1571 -840.747 -39.817 154.365 1.00855.43 C ATOM 32542 C4* G B1571 -840.546 -39.509 155.830 1.00855.43 C ATOM 32543 O4* G B1571 -840.051 -40.691 156.505 1.00855.43 O ATOM 32544 C3* G B1571 -839.529 -38.421 156.130 1.00855.43 C ATOM 32545 O3* G B1571 -840.131 -37.128 156.088 1.00855.43 O ATOM 32546 C2* G B1571 -839.030 -38.792 157.524 1.00855.43 C ATOM 32547 O2* G B1571 -839.872 -38.300 158.548 1.00855.43 O ATOM 32548 C1* G B1571 -839.110 -40.321 157.493 1.00855.43 C ATOM 32549 N9 G B1571 -837.858 -41.000 157.165 1.00855.43 N ATOM 32550 C8 G B1571 -837.312 -41.127 155.913 1.00855.43 C ATOM 32551 N7 G B1571 -836.201 -41.811 155.904 1.00855.43 N ATOM 32552 C5 G B1571 -835.994 -42.148 157.232 1.00855.43 C ATOM 32553 C6 G B1571 -834.949 -42.895 157.836 1.00855.43 C ATOM 32554 O6 G B1571 -833.970 -43.424 157.297 1.00855.43 O ATOM 32555 N1 G B1571 -835.123 -42.997 159.210 1.00855.43 N ATOM 32556 C2 G B1571 -836.168 -42.457 159.918 1.00855.43 C ATOM 32557 N2 G B1571 -836.145 -42.661 161.244 1.00855.43 N ATOM 32558 N3 G B1571 -837.155 -41.767 159.367 1.00855.43 N ATOM 32559 C4 G B1571 -837.005 -41.652 158.030 1.00855.43 C ATOM 32560 P C B1572 -839.239 -35.826 155.771 1.00855.43 P ATOM 32561 O1P C B1572 -840.162 -34.661 155.798 1.00855.43 O ATOM 32562 O2P C B1572 -838.420 -36.078 154.562 1.00855.43 O ATOM 32563 O5* C B1572 -838.270 -35.702 157.026 1.00855.43 O ATOM 32564 C5* C B1572 -838.706 -35.051 158.215 1.00855.43 C ATOM 32565 C4* C B1572 -837.597 -35.018 159.241 1.00855.43 C ATOM 32566 O4* C B1572 -837.290 -36.373 159.661 1.00855.43 O ATOM 32567 C3* C B1572 -836.236 -34.466 158.836 1.00855.43 C ATOM 32568 O3* C B1572 -836.177 -33.041 158.854 1.00855.43 O ATOM 32569 C2* C B1572 -835.309 -35.070 159.884 1.00855.43 C ATOM 32570 O2* C B1572 -835.287 -34.327 161.083 1.00855.43 O ATOM 32571 C1* C B1572 -835.958 -36.430 160.138 1.00855.43 C ATOM 32572 N1 C B1572 -835.248 -37.521 159.454 1.00855.43 N ATOM 32573 C2 C B1572 -834.372 -38.313 160.206 1.00855.43 C ATOM 32574 O2 C B1572 -834.244 -38.076 161.416 1.00855.43 O ATOM 32575 N3 C B1572 -833.690 -39.312 159.598 1.00855.43 N ATOM 32576 C4 C B1572 -833.862 -39.537 158.293 1.00855.43 C ATOM 32577 N4 C B1572 -833.166 -40.531 157.738 1.00855.43 N ATOM 32578 C5 C B1572 -834.753 -38.751 157.504 1.00855.43 C ATOM 32579 C6 C B1572 -835.421 -37.763 158.120 1.00855.43 C ATOM 32580 P G B1573 -835.414 -32.258 157.667 1.00855.43 P ATOM 32581 O1P G B1573 -835.986 -30.887 157.596 1.00855.43 O ATOM 32582 O2P G B1573 -835.434 -33.124 156.457 1.00855.43 O ATOM 32583 O5* G B1573 -833.904 -32.142 158.165 1.00855.43 O ATOM 32584 C5* G B1573 -833.086 -33.304 158.276 1.00855.43 C ATOM 32585 C4* G B1573 -832.124 -33.180 159.432 1.00855.43 C ATOM 32586 O4* G B1573 -831.675 -34.515 159.785 1.00855.43 O ATOM 32587 C3* G B1573 -830.842 -32.416 159.164 1.00855.43 C ATOM 32588 O3* G B1573 -831.007 -31.006 159.298 1.00855.43 O ATOM 32589 C2* G B1573 -829.874 -33.017 160.179 1.00855.43 C ATOM 32590 O2* G B1573 -830.001 -32.445 161.463 1.00855.43 O ATOM 32591 C1* G B1573 -830.329 -34.478 160.213 1.00855.43 C ATOM 32592 N9 G B1573 -829.575 -35.344 159.311 1.00855.43 N ATOM 32593 C8 G B1573 -829.748 -35.439 157.951 1.00855.43 C ATOM 32594 N7 G B1573 -828.951 -36.303 157.391 1.00855.43 N ATOM 32595 C5 G B1573 -828.197 -36.807 158.441 1.00855.43 C ATOM 32596 C6 G B1573 -827.169 -37.780 158.442 1.00855.43 C ATOM 32597 O6 G B1573 -826.705 -38.409 157.485 1.00855.43 O ATOM 32598 N1 G B1573 -826.674 -38.000 159.724 1.00855.43 N ATOM 32599 C2 G B1573 -827.112 -37.364 160.859 1.00855.43 C ATOM 32600 N2 G B1573 -826.507 -37.719 161.999 1.00855.43 N ATOM 32601 N3 G B1573 -828.075 -36.450 160.872 1.00855.43 N ATOM 32602 C4 G B1573 -828.568 -36.225 159.636 1.00855.43 C ATOM 32603 P A B1574 -829.980 -30.004 158.570 1.00855.43 P ATOM 32604 O1P A B1574 -828.728 -30.750 158.285 1.00855.43 O ATOM 32605 O2P A B1574 -829.916 -28.756 159.376 1.00855.43 O ATOM 32606 O5* A B1574 -830.680 -29.654 157.185 1.00855.43 O ATOM 32607 C5* A B1574 -831.364 -30.651 156.429 1.00855.43 C ATOM 32608 C4* A B1574 -830.368 -31.553 155.739 1.00855.43 C ATOM 32609 O4* A B1574 -830.642 -32.931 156.106 1.00855.43 O ATOM 32610 C3* A B1574 -830.379 -31.562 154.232 1.00855.43 C ATOM 32611 O3* A B1574 -829.591 -30.482 153.747 1.00855.43 O ATOM 32612 C2* A B1574 -829.789 -32.920 153.885 1.00855.43 C ATOM 32613 O2* A B1574 -828.374 -32.922 153.912 1.00855.43 O ATOM 32614 C1* A B1574 -830.325 -33.789 155.026 1.00855.43 C ATOM 32615 N9 A B1574 -831.541 -34.504 154.646 1.00855.43 N ATOM 32616 C8 A B1574 -832.613 -34.004 153.947 1.00855.43 C ATOM 32617 N7 A B1574 -833.561 -34.881 153.728 1.00855.43 N ATOM 32618 C5 A B1574 -833.085 -36.039 154.329 1.00855.43 C ATOM 32619 C6 A B1574 -833.622 -37.333 154.445 1.00855.43 C ATOM 32620 N6 A B1574 -834.798 -37.693 153.933 1.00855.43 N ATOM 32621 N1 A B1574 -832.896 -38.256 155.110 1.00855.43 N ATOM 32622 C2 A B1574 -831.709 -37.896 155.616 1.00855.43 C ATOM 32623 N3 A B1574 -831.097 -36.714 155.571 1.00855.43 N ATOM 32624 C4 A B1574 -831.847 -35.820 154.904 1.00855.43 C ATOM 32625 P C B1575 -829.634 -30.106 152.185 1.00855.43 P ATOM 32626 O1P C B1575 -830.735 -29.132 151.985 1.00855.43 O ATOM 32627 O2P C B1575 -829.618 -31.370 151.402 1.00855.43 O ATOM 32628 O5* C B1575 -828.250 -29.354 151.943 1.00855.43 O ATOM 32629 C5* C B1575 -828.219 -27.988 151.546 1.00855.43 C ATOM 32630 C4* C B1575 -826.864 -27.385 151.834 1.00855.43 C ATOM 32631 O4* C B1575 -826.728 -26.122 151.138 1.00855.43 O ATOM 32632 C3* C B1575 -826.558 -27.070 153.290 1.00855.43 C ATOM 32633 O3* C B1575 -826.069 -28.200 154.001 1.00855.43 O ATOM 32634 C2* C B1575 -825.499 -25.977 153.183 1.00855.43 C ATOM 32635 O2* C B1575 -824.195 -26.498 153.020 1.00855.43 O ATOM 32636 C1* C B1575 -825.914 -25.248 151.901 1.00855.43 C ATOM 32637 N1 C B1575 -826.643 -23.990 152.128 1.00855.43 N ATOM 32638 C2 C B1575 -825.931 -22.881 152.596 1.00855.43 C ATOM 32639 O2 C B1575 -824.713 -22.992 152.798 1.00855.43 O ATOM 32640 N3 C B1575 -826.588 -21.720 152.817 1.00855.43 N ATOM 32641 C4 C B1575 -827.900 -21.641 152.587 1.00855.43 C ATOM 32642 N4 C B1575 -828.505 -20.475 152.822 1.00855.43 N ATOM 32643 C5 C B1575 -828.650 -22.754 152.106 1.00855.43 C ATOM 32644 C6 C B1575 -827.986 -23.900 151.893 1.00855.43 C ATOM 32645 P G B1576 -825.811 -28.099 155.585 1.00855.43 P ATOM 32646 O1P G B1576 -826.973 -27.387 156.177 1.00855.43 O ATOM 32647 O2P G B1576 -824.441 -27.572 155.802 1.00855.43 O ATOM 32648 O5* G B1576 -825.844 -29.612 156.088 1.00855.43 O ATOM 32649 C5* G B1576 -825.631 -29.929 157.461 1.00855.43 C ATOM 32650 C4* G B1576 -824.401 -30.788 157.612 1.00855.43 C ATOM 32651 O4* G B1576 -824.804 -32.186 157.605 1.00855.43 O ATOM 32652 C3* G B1576 -823.387 -30.712 156.500 1.00855.43 C ATOM 32653 O3* G B1576 -822.527 -29.591 156.674 1.00855.43 O ATOM 32654 C2* G B1576 -822.648 -32.038 156.609 1.00855.43 C ATOM 32655 O2* G B1576 -821.639 -32.019 157.597 1.00855.43 O ATOM 32656 C1* G B1576 -823.773 -32.979 157.039 1.00855.43 C ATOM 32657 N9 G B1576 -824.335 -33.692 155.898 1.00855.43 N ATOM 32658 C8 G B1576 -825.366 -33.273 155.090 1.00855.43 C ATOM 32659 N7 G B1576 -825.632 -34.112 154.124 1.00855.43 N ATOM 32660 C5 G B1576 -824.727 -35.149 154.312 1.00855.43 C ATOM 32661 C6 G B1576 -824.533 -36.341 153.573 1.00855.43 C ATOM 32662 O6 G B1576 -825.141 -36.733 152.567 1.00855.43 O ATOM 32663 N1 G B1576 -823.510 -37.116 154.108 1.00855.43 N ATOM 32664 C2 G B1576 -822.765 -36.785 155.212 1.00855.43 C ATOM 32665 N2 G B1576 -821.821 -37.663 155.577 1.00855.43 N ATOM 32666 N3 G B1576 -822.936 -35.675 155.913 1.00855.43 N ATOM 32667 C4 G B1576 -823.927 -34.908 155.405 1.00855.43 C ATOM 32668 P G B1577 -821.725 -29.003 155.411 1.00855.43 P ATOM 32669 O1P G B1577 -821.237 -27.648 155.779 1.00855.43 O ATOM 32670 O2P G B1577 -822.579 -29.169 154.209 1.00855.43 O ATOM 32671 O5* G B1577 -820.465 -29.963 155.255 1.00855.43 O ATOM 32672 C5* G B1577 -819.596 -30.225 156.358 1.00855.43 C ATOM 32673 C4* G B1577 -818.693 -31.396 156.046 1.00855.43 C ATOM 32674 O4* G B1577 -819.492 -32.610 156.034 1.00855.43 O ATOM 32675 C3* G B1577 -818.016 -31.401 154.680 1.00855.43 C ATOM 32676 O3* G B1577 -816.831 -30.610 154.640 1.00855.43 O ATOM 32677 C2* G B1577 -817.724 -32.879 154.461 1.00855.43 C ATOM 32678 O2* G B1577 -816.547 -33.307 155.120 1.00855.43 O ATOM 32679 C1* G B1577 -818.945 -33.532 155.113 1.00855.43 C ATOM 32680 N9 G B1577 -819.978 -33.862 154.138 1.00855.43 N ATOM 32681 C8 G B1577 -820.951 -33.024 153.649 1.00855.43 C ATOM 32682 N7 G B1577 -821.728 -33.600 152.773 1.00855.43 N ATOM 32683 C5 G B1577 -821.241 -34.898 152.682 1.00855.43 C ATOM 32684 C6 G B1577 -821.679 -35.990 151.887 1.00855.43 C ATOM 32685 O6 G B1577 -822.612 -36.030 151.076 1.00855.43 O ATOM 32686 N1 G B1577 -820.902 -37.120 152.105 1.00855.43 N ATOM 32687 C2 G B1577 -819.838 -37.197 152.974 1.00855.43 C ATOM 32688 N2 G B1577 -819.213 -38.380 153.044 1.00855.43 N ATOM 32689 N3 G B1577 -819.421 -36.188 153.718 1.00855.43 N ATOM 32690 C4 G B1577 -820.162 -35.073 153.521 1.00855.43 C ATOM 32691 P U B1578 -816.562 -29.645 153.382 1.00855.43 P ATOM 32692 O1P U B1578 -815.839 -28.450 153.890 1.00855.43 O ATOM 32693 O2P U B1578 -817.839 -29.472 152.644 1.00855.43 O ATOM 32694 O5* U B1578 -815.557 -30.471 152.455 1.00855.43 O ATOM 32695 C5* U B1578 -814.348 -31.003 152.985 1.00855.43 C ATOM 32696 C4* U B1578 -813.975 -32.285 152.271 1.00855.43 C ATOM 32697 O4* U B1578 -814.991 -33.289 152.526 1.00855.43 O ATOM 32698 C3* U B1578 -813.918 -32.189 150.763 1.00855.43 C ATOM 32699 O3* U B1578 -812.632 -31.729 150.356 1.00855.43 O ATOM 32700 C2* U B1578 -814.171 -33.621 150.313 1.00855.43 C ATOM 32701 O2* U B1578 -813.001 -34.417 150.330 1.00855.43 O ATOM 32702 C1* U B1578 -815.139 -34.120 151.390 1.00855.43 C ATOM 32703 N1 U B1578 -816.542 -34.056 150.950 1.00855.43 N ATOM 32704 C2 U B1578 -817.143 -35.236 150.546 1.00855.43 C ATOM 32705 O2 U B1578 -816.564 -36.309 150.553 1.00855.43 O ATOM 32706 N3 U B1578 -818.445 -35.108 150.136 1.00855.43 N ATOM 32707 C4 U B1578 -819.193 -33.949 150.094 1.00855.43 C ATOM 32708 O4 U B1578 -820.356 -33.995 149.690 1.00855.43 O ATOM 32709 C5 U B1578 -818.503 -32.776 150.531 1.00855.43 C ATOM 32710 C6 U B1578 -817.230 -32.869 150.938 1.00855.43 C ATOM 32711 P G B1579 -812.512 -30.678 149.142 1.00855.43 P ATOM 32712 O1P G B1579 -811.068 -30.403 148.932 1.00855.43 O ATOM 32713 O2P G B1579 -813.442 -29.551 149.409 1.00855.43 O ATOM 32714 O5* G B1579 -813.053 -31.484 147.877 1.00855.43 O ATOM 32715 C5* G B1579 -812.356 -32.626 147.391 1.00855.43 C ATOM 32716 C4* G B1579 -813.162 -33.308 146.310 1.00855.43 C ATOM 32717 O4* G B1579 -814.378 -33.857 146.871 1.00855.43 O ATOM 32718 C3* G B1579 -813.659 -32.446 145.164 1.00855.43 C ATOM 32719 O3* G B1579 -812.623 -32.263 144.201 1.00855.43 O ATOM 32720 C2* G B1579 -814.835 -33.241 144.609 1.00855.43 C ATOM 32721 O2* G B1579 -814.438 -34.225 143.676 1.00855.43 O ATOM 32722 C1* G B1579 -815.379 -33.923 145.868 1.00855.43 C ATOM 32723 N9 G B1579 -816.599 -33.319 146.388 1.00855.43 N ATOM 32724 C8 G B1579 -816.708 -32.218 147.201 1.00855.43 C ATOM 32725 N7 G B1579 -817.941 -31.928 147.513 1.00855.43 N ATOM 32726 C5 G B1579 -818.697 -32.893 146.863 1.00855.43 C ATOM 32727 C6 G B1579 -820.104 -33.100 146.830 1.00855.43 C ATOM 32728 O6 G B1579 -820.996 -32.448 147.393 1.00855.43 O ATOM 32729 N1 G B1579 -820.440 -34.198 146.048 1.00855.43 N ATOM 32730 C2 G B1579 -819.541 -35.000 145.383 1.00855.43 C ATOM 32731 N2 G B1579 -820.062 -36.012 144.677 1.00855.43 N ATOM 32732 N3 G B1579 -818.233 -34.822 145.409 1.00855.43 N ATOM 32733 C4 G B1579 -817.883 -33.760 146.163 1.00855.43 C ATOM 32734 P C B1580 -812.653 -30.984 143.231 1.00855.43 P ATOM 32735 O1P C B1580 -811.365 -30.950 142.496 1.00855.43 O ATOM 32736 O2P C B1580 -813.079 -29.800 144.022 1.00855.43 O ATOM 32737 O5* C B1580 -813.807 -31.326 142.187 1.00855.43 O ATOM 32738 C5* C B1580 -813.662 -32.412 141.273 1.00855.43 C ATOM 32739 C4* C B1580 -814.955 -32.642 140.529 1.00855.43 C ATOM 32740 O4* C B1580 -815.960 -33.151 141.446 1.00855.43 O ATOM 32741 C3* C B1580 -815.619 -31.425 139.898 1.00855.43 C ATOM 32742 O3* C B1580 -815.051 -31.053 138.646 1.00855.43 O ATOM 32743 C2* C B1580 -817.072 -31.870 139.769 1.00855.43 C ATOM 32744 O2* C B1580 -817.290 -32.661 138.619 1.00855.43 O ATOM 32745 C1* C B1580 -817.244 -32.746 141.014 1.00855.43 C ATOM 32746 N1 C B1580 -817.912 -32.063 142.137 1.00855.43 N ATOM 32747 C2 C B1580 -819.285 -32.258 142.332 1.00855.43 C ATOM 32748 O2 C B1580 -819.903 -32.990 141.545 1.00855.43 O ATOM 32749 N3 C B1580 -819.898 -31.649 143.373 1.00855.43 N ATOM 32750 C4 C B1580 -819.192 -30.865 144.194 1.00855.43 C ATOM 32751 N4 C B1580 -819.838 -30.285 145.211 1.00855.43 N ATOM 32752 C5 C B1580 -817.797 -30.643 144.014 1.00855.43 C ATOM 32753 C6 C B1580 -817.202 -31.255 142.980 1.00855.43 C ATOM 32754 P C B1581 -814.955 -29.500 138.242 1.00855.43 P ATOM 32755 O1P C B1581 -813.574 -29.261 137.755 1.00855.43 O ATOM 32756 O2P C B1581 -815.492 -28.686 139.361 1.00855.43 O ATOM 32757 O5* C B1581 -815.948 -29.374 137.000 1.00855.43 O ATOM 32758 C5* C B1581 -816.731 -30.491 136.600 1.00855.43 C ATOM 32759 C4* C B1581 -818.206 -30.175 136.686 1.00855.43 C ATOM 32760 O4* C B1581 -818.588 -29.989 138.073 1.00855.43 O ATOM 32761 C3* C B1581 -818.607 -28.880 136.028 1.00855.43 C ATOM 32762 O3* C B1581 -818.869 -29.090 134.648 1.00855.43 O ATOM 32763 C2* C B1581 -819.903 -28.515 136.740 1.00855.43 C ATOM 32764 O2* C B1581 -820.994 -29.181 136.148 1.00855.43 O ATOM 32765 C1* C B1581 -819.672 -29.079 138.142 1.00855.43 C ATOM 32766 N1 C B1581 -819.376 -28.045 139.143 1.00855.43 N ATOM 32767 C2 C B1581 -819.922 -28.179 140.425 1.00855.43 C ATOM 32768 O2 C B1581 -820.609 -29.179 140.677 1.00855.43 O ATOM 32769 N3 C B1581 -819.687 -27.222 141.347 1.00855.43 N ATOM 32770 C4 C B1581 -818.941 -26.161 141.035 1.00855.43 C ATOM 32771 N4 C B1581 -818.748 -25.237 141.979 1.00855.43 N ATOM 32772 C5 C B1581 -818.361 -26.003 139.742 1.00855.43 C ATOM 32773 C6 C B1581 -818.596 -26.962 138.836 1.00855.43 C ATOM 32774 P A B1582 -818.071 -28.235 133.546 1.00855.43 P ATOM 32775 O1P A B1582 -817.925 -29.104 132.348 1.00855.43 O ATOM 32776 O2P A B1582 -816.860 -27.662 134.186 1.00855.43 O ATOM 32777 O5* A B1582 -819.049 -27.037 133.161 1.00855.43 O ATOM 32778 C5* A B1582 -819.677 -27.011 131.884 1.00855.43 C ATOM 32779 C4* A B1582 -820.985 -27.764 131.922 1.00855.43 C ATOM 32780 O4* A B1582 -820.711 -29.191 131.937 1.00855.43 O ATOM 32781 C3* A B1582 -821.828 -27.607 133.171 1.00855.43 C ATOM 32782 O3* A B1582 -822.622 -26.436 133.039 1.00855.43 O ATOM 32783 C2* A B1582 -822.707 -28.850 133.194 1.00855.43 C ATOM 32784 O2* A B1582 -823.887 -28.676 132.434 1.00855.43 O ATOM 32785 C1* A B1582 -821.806 -29.876 132.512 1.00855.43 C ATOM 32786 N9 A B1582 -821.314 -30.925 133.407 1.00855.43 N ATOM 32787 C8 A B1582 -821.943 -31.428 134.519 1.00855.43 C ATOM 32788 N7 A B1582 -821.285 -32.401 135.103 1.00855.43 N ATOM 32789 C5 A B1582 -820.142 -32.542 134.330 1.00855.43 C ATOM 32790 C6 A B1582 -819.036 -33.405 134.424 1.00855.43 C ATOM 32791 N6 A B1582 -818.899 -34.332 135.372 1.00855.43 N ATOM 32792 N1 A B1582 -818.062 -33.281 133.497 1.00855.43 N ATOM 32793 C2 A B1582 -818.198 -32.349 132.549 1.00855.43 C ATOM 32794 N3 A B1582 -819.184 -31.482 132.362 1.00855.43 N ATOM 32795 C4 A B1582 -820.140 -31.630 133.289 1.00855.43 C ATOM 32796 P A B1583 -823.324 -25.810 134.339 1.00855.43 P ATOM 32797 O1P A B1583 -824.330 -26.787 134.832 1.00855.43 O ATOM 32798 O2P A B1583 -823.740 -24.424 134.019 1.00855.43 O ATOM 32799 O5* A B1583 -822.134 -25.740 135.395 1.00855.43 O ATOM 32800 C5* A B1583 -822.316 -26.104 136.763 1.00855.43 C ATOM 32801 C4* A B1583 -822.114 -24.882 137.624 1.00855.43 C ATOM 32802 O4* A B1583 -820.728 -24.477 137.498 1.00855.43 O ATOM 32803 C3* A B1583 -822.900 -23.641 137.255 1.00855.43 C ATOM 32804 O3* A B1583 -824.216 -23.686 137.795 1.00855.43 O ATOM 32805 C2* A B1583 -822.034 -22.517 137.805 1.00855.43 C ATOM 32806 O2* A B1583 -822.223 -22.304 139.189 1.00855.43 O ATOM 32807 C1* A B1583 -820.628 -23.068 137.552 1.00855.43 C ATOM 32808 N9 A B1583 -820.018 -22.655 136.289 1.00855.43 N ATOM 32809 C8 A B1583 -820.345 -21.564 135.522 1.00855.43 C ATOM 32810 N7 A B1583 -819.675 -21.484 134.399 1.00855.43 N ATOM 32811 C5 A B1583 -818.839 -22.590 134.433 1.00855.43 C ATOM 32812 C6 A B1583 -817.858 -23.061 133.545 1.00855.43 C ATOM 32813 N6 A B1583 -817.539 -22.456 132.401 1.00855.43 N ATOM 32814 N1 A B1583 -817.194 -24.186 133.886 1.00855.43 N ATOM 32815 C2 A B1583 -817.496 -24.780 135.046 1.00855.43 C ATOM 32816 N3 A B1583 -818.381 -24.424 135.974 1.00855.43 N ATOM 32817 C4 A B1583 -819.030 -23.309 135.602 1.00855.43 C ATOM 32818 P G B1584 -825.471 -23.923 136.828 1.00855.43 P ATOM 32819 O1P G B1584 -825.647 -25.386 136.657 1.00855.43 O ATOM 32820 O2P G B1584 -825.308 -23.058 135.632 1.00855.43 O ATOM 32821 O5* G B1584 -826.703 -23.369 137.678 1.00855.43 O ATOM 32822 C5* G B1584 -827.998 -23.952 137.573 1.00855.43 C ATOM 32823 C4* G B1584 -828.397 -24.563 138.897 1.00855.43 C ATOM 32824 O4* G B1584 -827.288 -25.352 139.392 1.00855.43 O ATOM 32825 C3* G B1584 -828.720 -23.572 140.021 1.00855.43 C ATOM 32826 O3* G B1584 -830.089 -23.167 139.971 1.00855.43 O ATOM 32827 C2* G B1584 -828.379 -24.372 141.274 1.00855.43 C ATOM 32828 O2* G B1584 -829.439 -25.228 141.666 1.00855.43 O ATOM 32829 C1* G B1584 -827.200 -25.225 140.796 1.00855.43 C ATOM 32830 N9 G B1584 -825.876 -24.698 141.104 1.00855.43 N ATOM 32831 C8 G B1584 -825.556 -23.495 141.684 1.00855.43 C ATOM 32832 N7 G B1584 -824.267 -23.302 141.787 1.00855.43 N ATOM 32833 C5 G B1584 -823.703 -24.452 141.252 1.00855.43 C ATOM 32834 C6 G B1584 -822.340 -24.821 141.082 1.00855.43 C ATOM 32835 O6 G B1584 -821.324 -24.180 141.375 1.00855.43 O ATOM 32836 N1 G B1584 -822.222 -26.078 140.503 1.00855.43 N ATOM 32837 C2 G B1584 -823.272 -26.880 140.124 1.00855.43 C ATOM 32838 N2 G B1584 -822.952 -28.065 139.588 1.00855.43 N ATOM 32839 N3 G B1584 -824.542 -26.544 140.270 1.00855.43 N ATOM 32840 C4 G B1584 -824.685 -25.326 140.834 1.00855.43 C ATOM 32841 P A B1585 -830.680 -22.151 141.072 1.00855.43 P ATOM 32842 O1P A B1585 -829.673 -21.969 142.145 1.00855.43 O ATOM 32843 O2P A B1585 -832.054 -22.581 141.425 1.00855.43 O ATOM 32844 O5* A B1585 -830.787 -20.767 140.285 1.00855.43 O ATOM 32845 C5* A B1585 -831.203 -19.573 140.946 1.00855.43 C ATOM 32846 C4* A B1585 -832.032 -18.717 140.013 1.00855.43 C ATOM 32847 O4* A B1585 -832.984 -19.543 139.301 1.00855.43 O ATOM 32848 C3* A B1585 -832.880 -17.644 140.703 1.00855.43 C ATOM 32849 O3* A B1585 -832.199 -16.438 141.027 1.00855.43 O ATOM 32850 C2* A B1585 -834.010 -17.427 139.704 1.00855.43 C ATOM 32851 O2* A B1585 -833.654 -16.542 138.662 1.00855.43 O ATOM 32852 C1* A B1585 -834.201 -18.834 139.130 1.00855.43 C ATOM 32853 N9 A B1585 -835.259 -19.595 139.796 1.00855.43 N ATOM 32854 C8 A B1585 -835.304 -19.969 141.112 1.00855.43 C ATOM 32855 N7 A B1585 -836.375 -20.649 141.437 1.00855.43 N ATOM 32856 C5 A B1585 -837.091 -20.727 140.251 1.00855.43 C ATOM 32857 C6 A B1585 -838.322 -21.318 139.926 1.00855.43 C ATOM 32858 N6 A B1585 -839.082 -21.973 140.806 1.00855.43 N ATOM 32859 N1 A B1585 -838.752 -21.216 138.652 1.00855.43 N ATOM 32860 C2 A B1585 -837.987 -20.557 137.768 1.00855.43 C ATOM 32861 N3 A B1585 -836.813 -19.957 137.952 1.00855.43 N ATOM 32862 C4 A B1585 -836.415 -20.083 139.231 1.00855.43 C ATOM 32863 P A B1586 -832.255 -15.868 142.532 1.00855.43 P ATOM 32864 O1P A B1586 -830.920 -15.298 142.838 1.00855.43 O ATOM 32865 O2P A B1586 -832.817 -16.925 143.407 1.00855.43 O ATOM 32866 O5* A B1586 -833.303 -14.668 142.471 1.00855.43 O ATOM 32867 C5* A B1586 -832.875 -13.335 142.221 1.00855.43 C ATOM 32868 C4* A B1586 -834.043 -12.500 141.752 1.00855.43 C ATOM 32869 O4* A B1586 -834.615 -13.126 140.579 1.00855.43 O ATOM 32870 C3* A B1586 -835.187 -12.392 142.754 1.00855.43 C ATOM 32871 O3* A B1586 -834.999 -11.285 143.630 1.00855.43 O ATOM 32872 C2* A B1586 -836.405 -12.198 141.855 1.00855.43 C ATOM 32873 O2* A B1586 -836.594 -10.849 141.476 1.00855.43 O ATOM 32874 C1* A B1586 -836.023 -13.021 140.622 1.00855.43 C ATOM 32875 N9 A B1586 -836.567 -14.378 140.599 1.00855.43 N ATOM 32876 C8 A B1586 -836.243 -15.417 141.435 1.00855.43 C ATOM 32877 N7 A B1586 -836.871 -16.529 141.161 1.00855.43 N ATOM 32878 C5 A B1586 -837.668 -16.203 140.073 1.00855.43 C ATOM 32879 C6 A B1586 -838.573 -16.953 139.308 1.00855.43 C ATOM 32880 N6 A B1586 -838.839 -18.242 139.527 1.00855.43 N ATOM 32881 N1 A B1586 -839.207 -16.325 138.294 1.00855.43 N ATOM 32882 C2 A B1586 -838.939 -15.032 138.070 1.00855.43 C ATOM 32883 N3 A B1586 -838.106 -14.222 138.719 1.00855.43 N ATOM 32884 C4 A B1586 -837.492 -14.877 139.720 1.00855.43 C ATOM 32885 P A B1587 -834.668 -12.998 145.615 1.00851.72 P ATOM 32886 O1P A B1587 -834.170 -11.740 146.235 1.00851.72 O ATOM 32887 O2P A B1587 -833.986 -14.281 145.919 1.00851.72 O ATOM 32888 O5* A B1587 -836.212 -13.143 145.978 1.00851.72 O ATOM 32889 C5* A B1587 -837.182 -12.260 145.417 1.00851.72 C ATOM 32890 C4* A B1587 -838.486 -12.991 145.189 1.00851.72 C ATOM 32891 O4* A B1587 -838.277 -14.082 144.259 1.00851.72 O ATOM 32892 C3* A B1587 -839.065 -13.613 146.452 1.00851.72 C ATOM 32893 O3* A B1587 -839.953 -12.711 147.111 1.00851.72 O ATOM 32894 C2* A B1587 -839.811 -14.831 145.927 1.00851.72 C ATOM 32895 O2* A B1587 -841.116 -14.502 145.503 1.00851.72 O ATOM 32896 C1* A B1587 -838.964 -15.232 144.715 1.00851.72 C ATOM 32897 N9 A B1587 -837.981 -16.281 145.002 1.00851.72 N ATOM 32898 C8 A B1587 -836.892 -16.221 145.835 1.00851.72 C ATOM 32899 N7 A B1587 -836.196 -17.334 145.876 1.00851.72 N ATOM 32900 C5 A B1587 -836.874 -18.180 145.007 1.00851.72 C ATOM 32901 C6 A B1587 -836.638 -19.507 144.606 1.00851.72 C ATOM 32902 N6 A B1587 -835.613 -20.242 145.039 1.00851.72 N ATOM 32903 N1 A B1587 -837.505 -20.058 143.727 1.00851.72 N ATOM 32904 C2 A B1587 -838.530 -19.320 143.288 1.00851.72 C ATOM 32905 N3 A B1587 -838.853 -18.064 143.590 1.00851.72 N ATOM 32906 C4 A B1587 -837.976 -17.545 144.465 1.00851.72 C ATOM 32907 P A B1588 -840.009 -12.666 148.721 1.00851.72 P ATOM 32908 O1P A B1588 -839.557 -11.314 149.130 1.00851.72 O ATOM 32909 O2P A B1588 -839.303 -13.862 149.245 1.00851.72 O ATOM 32910 O5* A B1588 -841.556 -12.797 149.083 1.00851.72 O ATOM 32911 C5* A B1588 -842.486 -11.763 148.744 1.00851.72 C ATOM 32912 C4* A B1588 -843.786 -11.954 149.492 1.00851.72 C ATOM 32913 O4* A B1588 -844.315 -13.273 149.186 1.00851.72 O ATOM 32914 C3* A B1588 -843.739 -11.913 151.010 1.00851.72 C ATOM 32915 O3* A B1588 -843.820 -10.573 151.492 1.00851.72 O ATOM 32916 C2* A B1588 -844.964 -12.728 151.411 1.00851.72 C ATOM 32917 O2* A B1588 -846.155 -11.966 151.398 1.00851.72 O ATOM 32918 C1* A B1588 -845.016 -13.780 150.303 1.00851.72 C ATOM 32919 N9 A B1588 -844.380 -15.040 150.697 1.00851.72 N ATOM 32920 C8 A B1588 -843.301 -15.644 150.107 1.00851.72 C ATOM 32921 N7 A B1588 -842.951 -16.773 150.677 1.00851.72 N ATOM 32922 C5 A B1588 -843.863 -16.917 151.710 1.00851.72 C ATOM 32923 C6 A B1588 -844.029 -17.912 152.690 1.00851.72 C ATOM 32924 N6 A B1588 -843.250 -18.995 152.781 1.00851.72 N ATOM 32925 N1 A B1588 -845.035 -17.758 153.576 1.00851.72 N ATOM 32926 C2 A B1588 -845.814 -16.675 153.479 1.00851.72 C ATOM 32927 N3 A B1588 -845.759 -15.673 152.604 1.00851.72 N ATOM 32928 C4 A B1588 -844.750 -15.858 151.736 1.00851.72 C ATOM 32929 P G B1589 -843.117 -10.184 152.891 1.00851.72 P ATOM 32930 O1P G B1589 -843.691 -8.888 153.330 1.00851.72 O ATOM 32931 O2P G B1589 -841.649 -10.315 152.723 1.00851.72 O ATOM 32932 O5* G B1589 -843.601 -11.309 153.908 1.00851.72 O ATOM 32933 C5* G B1589 -844.898 -11.269 154.508 1.00851.72 C ATOM 32934 C4* G B1589 -845.062 -12.431 155.461 1.00851.72 C ATOM 32935 O4* G B1589 -844.860 -13.664 154.727 1.00851.72 O ATOM 32936 C3* G B1589 -844.067 -12.515 156.606 1.00851.72 C ATOM 32937 O3* G B1589 -844.465 -11.700 157.701 1.00851.72 O ATOM 32938 C2* G B1589 -844.069 -13.999 156.948 1.00851.72 C ATOM 32939 O2* G B1589 -845.149 -14.358 157.790 1.00851.72 O ATOM 32940 C1* G B1589 -844.257 -14.631 155.567 1.00851.72 C ATOM 32941 N9 G B1589 -842.996 -15.017 154.945 1.00851.72 N ATOM 32942 C8 G B1589 -842.406 -14.412 153.862 1.00851.72 C ATOM 32943 N7 G B1589 -841.272 -14.959 153.522 1.00851.72 N ATOM 32944 C5 G B1589 -841.106 -15.991 154.434 1.00851.72 C ATOM 32945 C6 G B1589 -840.054 -16.937 154.563 1.00851.72 C ATOM 32946 O6 G B1589 -839.034 -17.054 153.876 1.00851.72 O ATOM 32947 N1 G B1589 -840.281 -17.806 155.625 1.00851.72 N ATOM 32948 C2 G B1589 -841.373 -17.773 156.456 1.00851.72 C ATOM 32949 N2 G B1589 -841.406 -18.700 157.423 1.00851.72 N ATOM 32950 N3 G B1589 -842.357 -16.896 156.347 1.00851.72 N ATOM 32951 C4 G B1589 -842.159 -16.040 155.319 1.00851.72 C ATOM 32952 P C B1590 -843.358 -10.860 158.517 1.00851.72 P ATOM 32953 O1P C B1590 -844.067 -9.795 159.268 1.00851.72 O ATOM 32954 O2P C B1590 -842.271 -10.496 157.577 1.00851.72 O ATOM 32955 O5* C B1590 -842.776 -11.905 159.568 1.00851.72 O ATOM 32956 C5* C B1590 -843.589 -12.947 160.106 1.00851.72 C ATOM 32957 C4* C B1590 -843.269 -13.148 161.570 1.00851.72 C ATOM 32958 O4* C B1590 -842.755 -14.494 161.750 1.00851.72 O ATOM 32959 C3* C B1590 -842.197 -12.290 162.197 1.00851.72 C ATOM 32960 O3* C B1590 -842.724 -11.017 162.543 1.00851.72 O ATOM 32961 C2* C B1590 -841.766 -13.105 163.410 1.00851.72 C ATOM 32962 O2* C B1590 -842.624 -12.927 164.521 1.00851.72 O ATOM 32963 C1* C B1590 -841.897 -14.535 162.879 1.00851.72 C ATOM 32964 N1 C B1590 -840.602 -15.066 162.429 1.00851.72 N ATOM 32965 C2 C B1590 -839.744 -15.656 163.362 1.00851.72 C ATOM 32966 O2 C B1590 -840.111 -15.740 164.543 1.00851.72 O ATOM 32967 N3 C B1590 -838.540 -16.119 162.954 1.00851.72 N ATOM 32968 C4 C B1590 -838.186 -16.010 161.669 1.00851.72 C ATOM 32969 N4 C B1590 -836.984 -16.469 161.308 1.00851.72 N ATOM 32970 C5 C B1590 -839.046 -15.429 160.696 1.00851.72 C ATOM 32971 C6 C B1590 -840.231 -14.975 161.115 1.00851.72 C ATOM 32972 P U B1591 -841.826 -9.701 162.326 1.00851.72 P ATOM 32973 O1P U B1591 -841.705 -9.015 163.635 1.00851.72 O ATOM 32974 O2P U B1591 -842.369 -8.961 161.158 1.00851.72 O ATOM 32975 O5* U B1591 -840.390 -10.267 161.924 1.00851.72 O ATOM 32976 C5* U B1591 -839.393 -10.504 162.915 1.00851.72 C ATOM 32977 C4* U B1591 -838.051 -10.736 162.256 1.00851.72 C ATOM 32978 O4* U B1591 -838.097 -11.990 161.529 1.00851.72 O ATOM 32979 C3* U B1591 -837.582 -9.737 161.211 1.00851.72 C ATOM 32980 O3* U B1591 -836.970 -8.596 161.808 1.00851.72 O ATOM 32981 C2* U B1591 -836.582 -10.545 160.394 1.00851.72 C ATOM 32982 O2* U B1591 -835.297 -10.577 160.982 1.00851.72 O ATOM 32983 C1* U B1591 -837.197 -11.947 160.439 1.00851.72 C ATOM 32984 N1 U B1591 -837.939 -12.292 159.217 1.00851.72 N ATOM 32985 C2 U B1591 -837.211 -12.675 158.107 1.00851.72 C ATOM 32986 O2 U B1591 -835.995 -12.730 158.100 1.00851.72 O ATOM 32987 N3 U B1591 -837.965 -12.987 157.003 1.00851.72 N ATOM 32988 C4 U B1591 -839.341 -12.960 156.900 1.00851.72 C ATOM 32989 O4 U B1591 -839.875 -13.279 155.836 1.00851.72 O ATOM 32990 C5 U B1591 -840.021 -12.554 158.092 1.00851.72 C ATOM 32991 C6 U B1591 -839.313 -12.246 159.181 1.00851.72 C ATOM 32992 P U B1592 -836.908 -7.206 161.002 1.00851.72 P ATOM 32993 O1P U B1592 -836.432 -6.160 161.941 1.00851.72 O ATOM 32994 O2P U B1592 -838.203 -7.025 160.295 1.00851.72 O ATOM 32995 O5* U B1592 -835.777 -7.437 159.903 1.00851.72 O ATOM 32996 C5* U B1592 -834.430 -7.712 160.277 1.00851.72 C ATOM 32997 C4* U B1592 -833.501 -7.414 159.123 1.00851.72 C ATOM 32998 O4* U B1592 -833.834 -8.308 158.028 1.00851.72 O ATOM 32999 C3* U B1592 -833.646 -6.033 158.530 1.00851.72 C ATOM 33000 O3* U B1592 -832.835 -5.114 159.249 1.00851.72 O ATOM 33001 C2* U B1592 -833.178 -6.225 157.093 1.00851.72 C ATOM 33002 O2* U B1592 -831.771 -6.181 156.972 1.00851.72 O ATOM 33003 C1* U B1592 -833.676 -7.636 156.793 1.00851.72 C ATOM 33004 N1 U B1592 -834.987 -7.623 156.125 1.00851.72 N ATOM 33005 C2 U B1592 -835.026 -7.354 154.772 1.00851.72 C ATOM 33006 O2 U B1592 -834.025 -7.153 154.110 1.00851.72 O ATOM 33007 N3 U B1592 -836.285 -7.334 154.225 1.00851.72 N ATOM 33008 C4 U B1592 -837.482 -7.555 154.879 1.00851.72 C ATOM 33009 O4 U B1592 -838.541 -7.473 154.252 1.00851.72 O ATOM 33010 C5 U B1592 -837.353 -7.836 156.275 1.00851.72 C ATOM 33011 C6 U B1592 -836.144 -7.860 156.834 1.00851.72 C ATOM 33012 P C B1593 -833.528 -3.950 160.113 1.00851.72 P ATOM 33013 O1P C B1593 -832.522 -3.476 161.100 1.00851.72 O ATOM 33014 O2P C B1593 -834.845 -4.445 160.589 1.00851.72 O ATOM 33015 O5* C B1593 -833.778 -2.781 159.061 1.00851.72 O ATOM 33016 C5* C B1593 -832.731 -1.874 158.733 1.00851.72 C ATOM 33017 C4* C B1593 -833.261 -0.721 157.908 1.00851.72 C ATOM 33018 O4* C B1593 -833.767 -1.211 156.637 1.00851.72 O ATOM 33019 C3* C B1593 -834.422 0.016 158.536 1.00851.72 C ATOM 33020 O3* C B1593 -833.930 1.032 159.403 1.00851.72 O ATOM 33021 C2* C B1593 -835.143 0.610 157.331 1.00851.72 C ATOM 33022 O2* C B1593 -834.567 1.823 156.899 1.00851.72 O ATOM 33023 C1* C B1593 -834.918 -0.468 156.270 1.00851.72 C ATOM 33024 N1 C B1593 -836.057 -1.391 156.167 1.00851.72 N ATOM 33025 C2 C B1593 -837.204 -0.971 155.490 1.00851.72 C ATOM 33026 O2 C B1593 -837.216 0.160 154.980 1.00851.72 O ATOM 33027 N3 C B1593 -838.269 -1.803 155.409 1.00851.72 N ATOM 33028 C4 C B1593 -838.211 -3.011 155.968 1.00851.72 C ATOM 33029 N4 C B1593 -839.290 -3.796 155.872 1.00851.72 N ATOM 33030 C5 C B1593 -837.051 -3.470 156.657 1.00851.72 C ATOM 33031 C6 C B1593 -836.007 -2.636 156.731 1.00851.72 C ATOM 33032 P U B1594 -834.968 1.938 160.233 1.00851.72 P ATOM 33033 O1P U B1594 -834.186 2.726 161.220 1.00851.72 O ATOM 33034 O2P U B1594 -836.077 1.066 160.702 1.00851.72 O ATOM 33035 O5* U B1594 -835.550 2.943 159.144 1.00851.72 O ATOM 33036 C5* U B1594 -836.587 3.860 159.471 1.00851.72 C ATOM 33037 C4* U B1594 -836.938 4.701 158.268 1.00851.72 C ATOM 33038 O4* U B1594 -837.075 3.841 157.111 1.00851.72 O ATOM 33039 C3* U B1594 -838.242 5.470 158.346 1.00851.72 C ATOM 33040 O3* U B1594 -838.021 6.724 158.978 1.00851.72 O ATOM 33041 C2* U B1594 -838.638 5.624 156.881 1.00851.72 C ATOM 33042 O2* U B1594 -838.002 6.719 156.257 1.00851.72 O ATOM 33043 C1* U B1594 -838.118 4.318 156.278 1.00851.72 C ATOM 33044 N1 U B1594 -839.143 3.266 156.204 1.00851.72 N ATOM 33045 C2 U B1594 -840.191 3.447 155.323 1.00851.72 C ATOM 33046 O2 U B1594 -840.297 4.426 154.609 1.00851.72 O ATOM 33047 N3 U B1594 -841.117 2.431 155.313 1.00851.72 N ATOM 33048 C4 U B1594 -841.094 1.278 156.074 1.00851.72 C ATOM 33049 O4 U B1594 -842.009 0.460 155.961 1.00851.72 O ATOM 33050 C5 U B1594 -839.976 1.169 156.955 1.00851.72 C ATOM 33051 C6 U B1594 -839.063 2.138 156.991 1.00851.72 C ATOM 33052 P A B1595 -839.211 7.804 159.037 1.00851.72 P ATOM 33053 O1P A B1595 -838.986 8.648 160.239 1.00851.72 O ATOM 33054 O2P A B1595 -840.500 7.090 158.873 1.00851.72 O ATOM 33055 O5* A B1595 -838.972 8.707 157.747 1.00851.72 O ATOM 33056 C5* A B1595 -837.721 9.350 157.529 1.00851.72 C ATOM 33057 C4* A B1595 -837.727 10.073 156.201 1.00851.72 C ATOM 33058 O4* A B1595 -837.865 9.113 155.122 1.00851.72 O ATOM 33059 C3* A B1595 -838.913 10.978 155.975 1.00851.72 C ATOM 33060 O3* A B1595 -838.668 12.227 156.608 1.00851.72 O ATOM 33061 C2* A B1595 -839.005 11.100 154.460 1.00851.72 C ATOM 33062 O2* A B1595 -838.189 12.134 153.949 1.00851.72 O ATOM 33063 C1* A B1595 -838.468 9.743 154.001 1.00851.72 C ATOM 33064 N9 A B1595 -839.521 8.864 153.498 1.00851.72 N ATOM 33065 C8 A B1595 -839.668 7.516 153.708 1.00851.72 C ATOM 33066 N7 A B1595 -840.729 7.003 153.136 1.00851.72 N ATOM 33067 C5 A B1595 -841.323 8.089 152.505 1.00851.72 C ATOM 33068 C6 A B1595 -842.486 8.208 151.728 1.00851.72 C ATOM 33069 N6 A B1595 -843.296 7.185 151.443 1.00851.72 N ATOM 33070 N1 A B1595 -842.795 9.430 151.245 1.00851.72 N ATOM 33071 C2 A B1595 -841.984 10.457 151.535 1.00851.72 C ATOM 33072 N3 A B1595 -840.866 10.469 152.256 1.00851.72 N ATOM 33073 C4 A B1595 -840.586 9.239 152.719 1.00851.72 C ATOM 33074 P A B1596 -839.869 12.985 157.360 1.00851.72 P ATOM 33075 O1P A B1596 -839.299 14.211 157.980 1.00851.72 O ATOM 33076 O2P A B1596 -840.584 11.998 158.210 1.00851.72 O ATOM 33077 O5* A B1596 -840.848 13.433 156.183 1.00851.72 O ATOM 33078 C5* A B1596 -840.423 14.371 155.199 1.00851.72 C ATOM 33079 C4* A B1596 -841.616 15.013 154.530 1.00851.72 C ATOM 33080 O4* A B1596 -842.255 14.055 153.649 1.00851.72 O ATOM 33081 C3* A B1596 -842.775 15.413 155.426 1.00851.72 C ATOM 33082 O3* A B1596 -842.522 16.668 156.048 1.00851.72 O ATOM 33083 C2* A B1596 -843.974 15.475 154.485 1.00851.72 C ATOM 33084 O2* A B1596 -844.115 16.739 153.868 1.00851.72 O ATOM 33085 C1* A B1596 -843.602 14.431 153.434 1.00851.72 C ATOM 33086 N9 A B1596 -844.435 13.232 153.527 1.00851.72 N ATOM 33087 C8 A B1596 -844.251 12.126 154.320 1.00851.72 C ATOM 33088 N7 A B1596 -845.188 11.217 154.181 1.00851.72 N ATOM 33089 C5 A B1596 -846.045 11.762 153.233 1.00851.72 C ATOM 33090 C6 A B1596 -847.235 11.292 152.652 1.00851.72 C ATOM 33091 N6 A B1596 -847.794 10.116 152.953 1.00851.72 N ATOM 33092 N1 A B1596 -847.841 12.078 151.736 1.00851.72 N ATOM 33093 C2 A B1596 -847.280 13.255 151.434 1.00851.72 C ATOM 33094 N3 A B1596 -846.167 13.808 151.912 1.00851.72 N ATOM 33095 C4 A B1596 -845.591 12.998 152.819 1.00851.72 C ATOM 33096 P A B1597 -842.597 16.795 157.650 1.00851.72 P ATOM 33097 O1P A B1597 -842.624 18.243 157.982 1.00851.72 O ATOM 33098 O2P A B1597 -841.539 15.927 158.230 1.00851.72 O ATOM 33099 O5* A B1597 -844.015 16.170 158.032 1.00851.72 O ATOM 33100 C5* A B1597 -845.225 16.755 157.558 1.00851.72 C ATOM 33101 C4* A B1597 -846.323 15.715 157.509 1.00851.72 C ATOM 33102 O4* A B1597 -845.863 14.588 156.719 1.00851.72 O ATOM 33103 C3* A B1597 -846.749 15.099 158.835 1.00851.72 C ATOM 33104 O3* A B1597 -847.726 15.900 159.495 1.00851.72 O ATOM 33105 C2* A B1597 -847.310 13.747 158.415 1.00851.72 C ATOM 33106 O2* A B1597 -848.650 13.830 157.970 1.00851.72 O ATOM 33107 C1* A B1597 -846.400 13.384 157.241 1.00851.72 C ATOM 33108 N9 A B1597 -845.282 12.533 157.646 1.00851.72 N ATOM 33109 C8 A B1597 -844.035 12.930 158.060 1.00851.72 C ATOM 33110 N7 A B1597 -843.240 11.937 158.371 1.00851.72 N ATOM 33111 C5 A B1597 -844.015 10.808 158.145 1.00851.72 C ATOM 33112 C6 A B1597 -843.751 9.436 158.289 1.00851.72 C ATOM 33113 N6 A B1597 -842.584 8.946 158.718 1.00851.72 N ATOM 33114 N1 A B1597 -844.738 8.568 157.979 1.00851.72 N ATOM 33115 C2 A B1597 -845.908 9.057 157.550 1.00851.72 C ATOM 33116 N3 A B1597 -846.279 10.324 157.376 1.00851.72 N ATOM 33117 C4 A B1597 -845.273 11.160 157.693 1.00851.72 C ATOM 33118 P C B1598 -847.715 16.008 161.098 1.00851.72 P ATOM 33119 O1P C B1598 -848.936 16.758 161.494 1.00851.72 O ATOM 33120 O2P C B1598 -846.383 16.496 161.533 1.00851.72 O ATOM 33121 O5* C B1598 -847.882 14.502 161.595 1.00851.72 O ATOM 33122 C5* C B1598 -849.078 13.774 161.317 1.00851.72 C ATOM 33123 C4* C B1598 -848.885 12.308 161.635 1.00851.72 C ATOM 33124 O4* C B1598 -847.791 11.775 160.841 1.00851.72 O ATOM 33125 C3* C B1598 -848.492 11.965 163.053 1.00851.72 C ATOM 33126 O3* C B1598 -849.630 11.943 163.905 1.00851.72 O ATOM 33127 C2* C B1598 -847.854 10.591 162.906 1.00851.72 C ATOM 33128 O2* C B1598 -848.805 9.545 162.880 1.00851.72 O ATOM 33129 C1* C B1598 -847.172 10.709 161.541 1.00851.72 C ATOM 33130 N1 C B1598 -845.740 11.011 161.678 1.00851.72 N ATOM 33131 C2 C B1598 -844.812 9.973 161.540 1.00851.72 C ATOM 33132 O2 C B1598 -845.224 8.827 161.289 1.00851.72 O ATOM 33133 N3 C B1598 -843.494 10.240 161.682 1.00851.72 N ATOM 33134 C4 C B1598 -843.091 11.486 161.948 1.00851.72 C ATOM 33135 N4 C B1598 -841.785 11.708 162.086 1.00851.72 N ATOM 33136 C5 C B1598 -844.016 12.563 162.090 1.00851.72 C ATOM 33137 C6 C B1598 -845.317 12.282 161.941 1.00851.72 C ATOM 33138 P G B1599 -849.659 12.877 165.214 1.00851.72 P ATOM 33139 O1P G B1599 -850.947 12.629 165.911 1.00851.72 O ATOM 33140 O2P G B1599 -849.304 14.258 164.800 1.00851.72 O ATOM 33141 O5* G B1599 -848.480 12.309 166.125 1.00851.72 O ATOM 33142 C5* G B1599 -848.276 10.905 166.252 1.00851.72 C ATOM 33143 C4* G B1599 -846.877 10.609 166.753 1.00851.72 C ATOM 33144 O4* G B1599 -845.898 11.254 165.895 1.00851.72 O ATOM 33145 C3* G B1599 -846.582 11.132 168.148 1.00851.72 C ATOM 33146 O3* G B1599 -846.985 10.197 169.143 1.00851.72 O ATOM 33147 C2* G B1599 -845.064 11.304 168.130 1.00851.72 C ATOM 33148 O2* G B1599 -844.380 10.098 168.404 1.00851.72 O ATOM 33149 C1* G B1599 -844.806 11.709 166.676 1.00851.72 C ATOM 33150 N9 G B1599 -844.669 13.153 166.505 1.00851.72 N ATOM 33151 C8 G B1599 -845.657 14.103 166.574 1.00851.72 C ATOM 33152 N7 G B1599 -845.213 15.315 166.379 1.00851.72 N ATOM 33153 C5 G B1599 -843.850 15.151 166.171 1.00851.72 C ATOM 33154 C6 G B1599 -842.835 16.113 165.905 1.00851.72 C ATOM 33155 O6 G B1599 -842.944 17.341 165.802 1.00851.72 O ATOM 33156 N1 G B1599 -841.590 15.511 165.757 1.00851.72 N ATOM 33157 C2 G B1599 -841.348 14.165 165.851 1.00851.72 C ATOM 33158 N2 G B1599 -840.074 13.779 165.677 1.00851.72 N ATOM 33159 N3 G B1599 -842.279 13.261 166.095 1.00851.72 N ATOM 33160 C4 G B1599 -843.500 13.823 166.244 1.00851.72 C ATOM 33161 P U B1600 -847.626 10.722 170.523 1.00851.72 P ATOM 33162 O1P U B1600 -847.601 9.588 171.480 1.00851.72 O ATOM 33163 O2P U B1600 -848.914 11.394 170.212 1.00851.72 O ATOM 33164 O5* U B1600 -846.596 11.827 171.038 1.00851.72 O ATOM 33165 C5* U B1600 -847.054 12.986 171.737 1.00851.72 C ATOM 33166 C4* U B1600 -846.589 12.950 173.174 1.00851.72 C ATOM 33167 O4* U B1600 -845.141 12.860 173.204 1.00851.72 O ATOM 33168 C3* U B1600 -846.916 14.172 174.011 1.00851.72 C ATOM 33169 O3* U B1600 -848.216 13.990 174.562 1.00851.72 O ATOM 33170 C2* U B1600 -845.835 14.151 175.091 1.00851.72 C ATOM 33171 O2* U B1600 -846.166 13.302 176.173 1.00851.72 O ATOM 33172 C1* U B1600 -844.640 13.565 174.328 1.00851.72 C ATOM 33173 N1 U B1600 -843.695 14.586 173.853 1.00851.72 N ATOM 33174 C2 U B1600 -842.550 14.804 174.595 1.00851.72 C ATOM 33175 O2 U B1600 -842.300 14.193 175.623 1.00851.72 O ATOM 33176 N3 U B1600 -841.709 15.766 174.099 1.00851.72 N ATOM 33177 C4 U B1600 -841.890 16.514 172.954 1.00851.72 C ATOM 33178 O4 U B1600 -841.035 17.343 172.630 1.00851.72 O ATOM 33179 C5 U B1600 -843.097 16.232 172.239 1.00851.72 C ATOM 33180 C6 U B1600 -843.937 15.301 172.703 1.00851.72 C ATOM 33181 P U B1601 -848.984 15.238 175.225 1.00851.72 P ATOM 33182 O1P U B1601 -849.673 15.967 174.132 1.00851.72 O ATOM 33183 O2P U B1601 -848.022 15.962 176.097 1.00851.72 O ATOM 33184 O5* U B1601 -850.092 14.572 176.153 1.00851.72 O ATOM 33185 C5* U B1601 -849.727 13.845 177.324 1.00851.72 C ATOM 33186 C4* U B1601 -848.872 12.655 176.958 1.00851.72 C ATOM 33187 O4* U B1601 -848.091 12.241 178.112 1.00851.72 O ATOM 33188 C3* U B1601 -849.531 11.383 176.479 1.00851.72 C ATOM 33189 O3* U B1601 -849.869 11.470 175.100 1.00851.72 O ATOM 33190 C2* U B1601 -848.467 10.328 176.748 1.00851.72 C ATOM 33191 O2* U B1601 -847.487 10.269 175.729 1.00851.72 O ATOM 33192 C1* U B1601 -847.834 10.848 178.039 1.00851.72 C ATOM 33193 N1 U B1601 -848.430 10.203 179.220 1.00851.72 N ATOM 33194 C2 U B1601 -847.849 9.032 179.666 1.00851.72 C ATOM 33195 O2 U B1601 -846.863 8.538 179.148 1.00851.72 O ATOM 33196 N3 U B1601 -848.470 8.457 180.748 1.00851.72 N ATOM 33197 C4 U B1601 -849.582 8.927 181.416 1.00851.72 C ATOM 33198 O4 U B1601 -850.051 8.274 182.349 1.00851.72 O ATOM 33199 C5 U B1601 -850.112 10.155 180.902 1.00851.72 C ATOM 33200 C6 U B1601 -849.532 10.737 179.846 1.00851.72 C ATOM 33201 P G B1602 -851.375 11.152 174.637 1.00851.72 P ATOM 33202 O1P G B1602 -851.731 12.157 173.600 1.00851.72 O ATOM 33203 O2P G B1602 -852.219 11.018 175.851 1.00851.72 O ATOM 33204 O5* G B1602 -851.272 9.728 173.928 1.00851.72 O ATOM 33205 C5* G B1602 -850.724 9.611 172.625 1.00851.72 C ATOM 33206 C4* G B1602 -850.739 8.167 172.180 1.00851.72 C ATOM 33207 O4* G B1602 -850.263 7.337 173.270 1.00851.72 O ATOM 33208 C3* G B1602 -852.059 7.534 171.792 1.00851.72 C ATOM 33209 O3* G B1602 -852.367 7.875 170.440 1.00851.72 O ATOM 33210 C2* G B1602 -851.791 6.045 171.977 1.00851.72 C ATOM 33211 O2* G B1602 -851.142 5.474 170.860 1.00851.72 O ATOM 33212 C1* G B1602 -850.832 6.046 173.173 1.00851.72 C ATOM 33213 N9 G B1602 -851.494 5.737 174.437 1.00851.72 N ATOM 33214 C8 G B1602 -852.767 6.094 174.816 1.00851.72 C ATOM 33215 N7 G B1602 -853.087 5.665 176.008 1.00851.72 N ATOM 33216 C5 G B1602 -851.958 4.982 176.442 1.00851.72 C ATOM 33217 C6 G B1602 -851.710 4.300 177.660 1.00851.72 C ATOM 33218 O6 G B1602 -852.466 4.153 178.630 1.00851.72 O ATOM 33219 N1 G B1602 -850.430 3.755 177.689 1.00851.72 N ATOM 33220 C2 G B1602 -849.509 3.850 176.678 1.00851.72 C ATOM 33221 N2 G B1602 -848.325 3.256 176.897 1.00851.72 N ATOM 33222 N3 G B1602 -849.727 4.482 175.535 1.00851.72 N ATOM 33223 C4 G B1602 -850.965 5.020 175.488 1.00851.72 C ATOM 33224 P A B1603 -853.525 7.081 169.655 1.00851.72 P ATOM 33225 O1P A B1603 -854.098 8.007 168.647 1.00851.72 O ATOM 33226 O2P A B1603 -854.417 6.449 170.662 1.00851.72 O ATOM 33227 O5* A B1603 -852.746 5.921 168.884 1.00851.72 O ATOM 33228 C5* A B1603 -852.434 6.040 167.497 1.00851.72 C ATOM 33229 C4* A B1603 -851.220 5.203 167.162 1.00851.72 C ATOM 33230 O4* A B1603 -850.141 5.562 168.060 1.00851.72 O ATOM 33231 C3* A B1603 -851.273 3.680 167.296 1.00851.72 C ATOM 33232 O3* A B1603 -851.910 3.054 166.182 1.00851.72 O ATOM 33233 C2* A B1603 -849.804 3.293 167.400 1.00851.72 C ATOM 33234 O2* A B1603 -849.182 3.167 166.137 1.00851.72 O ATOM 33235 C1* A B1603 -849.208 4.500 168.134 1.00851.72 C ATOM 33236 N9 A B1603 -848.921 4.257 169.549 1.00851.72 N ATOM 33237 C8 A B1603 -849.394 3.229 170.327 1.00851.72 C ATOM 33238 N7 A B1603 -848.980 3.269 171.566 1.00851.72 N ATOM 33239 C5 A B1603 -848.175 4.398 171.613 1.00851.72 C ATOM 33240 C6 A B1603 -847.435 4.992 172.651 1.00851.72 C ATOM 33241 N6 A B1603 -847.390 4.508 173.892 1.00851.72 N ATOM 33242 N1 A B1603 -846.740 6.111 172.362 1.00851.72 N ATOM 33243 C2 A B1603 -846.789 6.595 171.116 1.00851.72 C ATOM 33244 N3 A B1603 -847.444 6.129 170.055 1.00851.72 N ATOM 33245 C4 A B1603 -848.129 5.015 170.374 1.00851.72 C ATOM 33246 P A B1604 -852.405 1.526 166.292 1.00851.72 P ATOM 33247 O1P A B1604 -852.931 1.149 164.954 1.00851.72 O ATOM 33248 O2P A B1604 -853.278 1.394 167.485 1.00851.72 O ATOM 33249 O5* A B1604 -851.072 0.692 166.546 1.00851.72 O ATOM 33250 C5* A B1604 -850.203 0.360 165.464 1.00851.72 C ATOM 33251 C4* A B1604 -848.976 -0.361 165.976 1.00851.72 C ATOM 33252 O4* A B1604 -848.293 0.470 166.948 1.00851.72 O ATOM 33253 C3* A B1604 -849.079 -1.688 166.736 1.00851.72 C ATOM 33254 O3* A B1604 -849.277 -2.796 165.859 1.00851.72 O ATOM 33255 C2* A B1604 -847.744 -1.792 167.467 1.00851.72 C ATOM 33256 O2* A B1604 -846.740 -2.405 166.682 1.00851.72 O ATOM 33257 C1* A B1604 -847.389 -0.321 167.695 1.00851.72 C ATOM 33258 N9 A B1604 -847.448 0.071 169.102 1.00851.72 N ATOM 33259 C8 A B1604 -848.461 -0.097 170.015 1.00851.72 C ATOM 33260 N7 A B1604 -848.170 0.358 171.216 1.00851.72 N ATOM 33261 C5 A B1604 -846.885 0.860 171.079 1.00851.72 C ATOM 33262 C6 A B1604 -846.001 1.475 171.987 1.00851.72 C ATOM 33263 N6 A B1604 -846.279 1.680 173.274 1.00851.72 N ATOM 33264 N1 A B1604 -844.798 1.870 171.521 1.00851.72 N ATOM 33265 C2 A B1604 -844.504 1.650 170.234 1.00851.72 C ATOM 33266 N3 A B1604 -845.239 1.075 169.290 1.00851.72 N ATOM 33267 C4 A B1604 -846.432 0.700 169.782 1.00851.72 C ATOM 33268 P A B1605 -849.575 -4.254 166.465 1.00851.72 P ATOM 33269 O1P A B1605 -849.927 -5.140 165.324 1.00851.72 O ATOM 33270 O2P A B1605 -850.527 -4.100 167.593 1.00851.72 O ATOM 33271 O5* A B1605 -848.172 -4.739 167.050 1.00851.72 O ATOM 33272 C5* A B1605 -847.286 -5.540 166.269 1.00851.72 C ATOM 33273 C4* A B1605 -846.064 -5.914 167.077 1.00851.72 C ATOM 33274 O4* A B1605 -845.333 -4.710 167.427 1.00851.72 O ATOM 33275 C3* A B1605 -846.177 -6.595 168.444 1.00851.72 C ATOM 33276 O3* A B1605 -846.421 -7.992 168.308 1.00851.72 O ATOM 33277 C2* A B1605 -844.832 -6.323 169.109 1.00851.72 C ATOM 33278 O2* A B1605 -843.860 -7.298 168.790 1.00851.72 O ATOM 33279 C1* A B1605 -844.433 -4.985 168.481 1.00851.72 C ATOM 33280 N9 A B1605 -844.475 -3.871 169.426 1.00851.72 N ATOM 33281 C8 A B1605 -845.508 -2.995 169.660 1.00851.72 C ATOM 33282 N7 A B1605 -845.238 -2.090 170.571 1.00851.72 N ATOM 33283 C5 A B1605 -843.942 -2.391 170.964 1.00851.72 C ATOM 33284 C6 A B1605 -843.076 -1.802 171.903 1.00851.72 C ATOM 33285 N6 A B1605 -843.402 -0.740 172.647 1.00851.72 N ATOM 33286 N1 A B1605 -841.848 -2.345 172.054 1.00851.72 N ATOM 33287 C2 A B1605 -841.524 -3.410 171.311 1.00851.72 C ATOM 33288 N3 A B1605 -842.247 -4.050 170.398 1.00851.72 N ATOM 33289 C4 A B1605 -843.462 -3.485 170.269 1.00851.72 C ATOM 33290 P C B1606 -847.360 -8.750 169.370 1.00851.72 P ATOM 33291 O1P C B1606 -847.218 -10.206 169.115 1.00851.72 O ATOM 33292 O2P C B1606 -848.708 -8.126 169.341 1.00851.72 O ATOM 33293 O5* C B1606 -846.690 -8.437 170.784 1.00851.72 O ATOM 33294 C5* C B1606 -845.492 -9.093 171.182 1.00851.72 C ATOM 33295 C4* C B1606 -845.260 -8.931 172.669 1.00851.72 C ATOM 33296 O4* C B1606 -845.464 -7.544 173.051 1.00851.72 O ATOM 33297 C3* C B1606 -846.147 -9.715 173.624 1.00851.72 C ATOM 33298 O3* C B1606 -845.661 -11.041 173.790 1.00851.72 O ATOM 33299 C2* C B1606 -846.034 -8.913 174.913 1.00851.72 C ATOM 33300 O2* C B1606 -844.869 -9.221 175.650 1.00851.72 O ATOM 33301 C1* C B1606 -845.949 -7.482 174.381 1.00851.72 C ATOM 33302 N1 C B1606 -847.273 -6.847 174.375 1.00851.72 N ATOM 33303 C2 C B1606 -847.844 -6.469 175.594 1.00851.72 C ATOM 33304 O2 C B1606 -847.198 -6.647 176.636 1.00851.72 O ATOM 33305 N3 C B1606 -849.083 -5.928 175.607 1.00851.72 N ATOM 33306 C4 C B1606 -849.746 -5.749 174.459 1.00851.72 C ATOM 33307 N4 C B1606 -850.970 -5.223 174.521 1.00851.72 N ATOM 33308 C5 C B1606 -849.180 -6.108 173.200 1.00851.72 C ATOM 33309 C6 C B1606 -847.952 -6.646 173.204 1.00851.72 C ATOM 33310 P A B1607 -846.697 -12.266 173.754 1.00851.72 P ATOM 33311 O1P A B1607 -845.910 -13.522 173.695 1.00851.72 O ATOM 33312 O2P A B1607 -847.710 -11.984 172.702 1.00851.72 O ATOM 33313 O5* A B1607 -847.427 -12.200 175.172 1.00851.72 O ATOM 33314 C5* A B1607 -846.999 -13.026 176.250 1.00851.72 C ATOM 33315 C4* A B1607 -847.887 -12.829 177.459 1.00851.72 C ATOM 33316 O4* A B1607 -848.049 -11.415 177.736 1.00851.72 O ATOM 33317 C3* A B1607 -849.298 -13.379 177.377 1.00851.72 C ATOM 33318 O3* A B1607 -849.293 -14.761 177.720 1.00851.72 O ATOM 33319 C2* A B1607 -850.048 -12.534 178.398 1.00851.72 C ATOM 33320 O2* A B1607 -849.905 -13.021 179.719 1.00851.72 O ATOM 33321 C1* A B1607 -849.339 -11.185 178.276 1.00851.72 C ATOM 33322 N9 A B1607 -850.048 -10.250 177.400 1.00851.72 N ATOM 33323 C8 A B1607 -849.804 -9.985 176.074 1.00851.72 C ATOM 33324 N7 A B1607 -850.617 -9.098 175.555 1.00851.72 N ATOM 33325 C5 A B1607 -851.454 -8.755 176.612 1.00851.72 C ATOM 33326 C6 A B1607 -852.536 -7.861 176.708 1.00851.72 C ATOM 33327 N6 A B1607 -852.978 -7.118 175.690 1.00851.72 N ATOM 33328 N1 A B1607 -853.155 -7.758 177.904 1.00851.72 N ATOM 33329 C2 A B1607 -852.715 -8.504 178.922 1.00851.72 C ATOM 33330 N3 A B1607 -851.710 -9.377 178.954 1.00851.72 N ATOM 33331 C4 A B1607 -851.114 -9.457 177.750 1.00851.72 C ATOM 33332 P U B1608 -850.485 -15.710 177.209 1.00851.72 P ATOM 33333 O1P U B1608 -850.410 -16.971 177.987 1.00851.72 O ATOM 33334 O2P U B1608 -850.440 -15.758 175.724 1.00851.72 O ATOM 33335 O5* U B1608 -851.808 -14.936 177.646 1.00851.72 O ATOM 33336 C5* U B1608 -852.340 -15.095 178.956 1.00851.72 C ATOM 33337 C4* U B1608 -853.642 -14.339 179.102 1.00851.72 C ATOM 33338 O4* U B1608 -853.431 -12.939 178.778 1.00851.72 O ATOM 33339 C3* U B1608 -854.789 -14.708 178.185 1.00851.72 C ATOM 33340 O3* U B1608 -855.469 -15.863 178.664 1.00851.72 O ATOM 33341 C2* U B1608 -855.684 -13.477 178.219 1.00851.72 C ATOM 33342 O2* U B1608 -856.572 -13.477 179.319 1.00851.72 O ATOM 33343 C1* U B1608 -854.661 -12.352 178.387 1.00851.72 C ATOM 33344 N1 U B1608 -854.454 -11.609 177.135 1.00851.72 N ATOM 33345 C2 U B1608 -855.005 -10.343 177.046 1.00851.72 C ATOM 33346 O2 U B1608 -855.619 -9.826 177.964 1.00851.72 O ATOM 33347 N3 U B1608 -854.811 -9.710 175.845 1.00851.72 N ATOM 33348 C4 U B1608 -854.131 -10.197 174.748 1.00851.72 C ATOM 33349 O4 U B1608 -854.062 -9.510 173.728 1.00851.72 O ATOM 33350 C5 U B1608 -853.574 -11.504 174.926 1.00851.72 C ATOM 33351 C6 U B1608 -853.751 -12.148 176.082 1.00851.72 C ATOM 33352 P G B1609 -856.410 -16.702 177.666 1.00851.72 P ATOM 33353 O1P G B1609 -856.534 -18.076 178.210 1.00851.72 O ATOM 33354 O2P G B1609 -855.908 -16.505 176.280 1.00851.72 O ATOM 33355 O5* G B1609 -857.833 -15.992 177.778 1.00851.72 O ATOM 33356 C5* G B1609 -858.703 -16.258 178.877 1.00851.72 C ATOM 33357 C4* G B1609 -859.823 -15.244 178.909 1.00851.72 C ATOM 33358 O4* G B1609 -859.251 -13.912 178.958 1.00851.72 O ATOM 33359 C3* G B1609 -860.732 -15.239 177.690 1.00851.72 C ATOM 33360 O3* G B1609 -861.791 -16.181 177.838 1.00851.72 O ATOM 33361 C2* G B1609 -861.238 -13.802 177.648 1.00851.72 C ATOM 33362 O2* G B1609 -862.338 -13.582 178.512 1.00851.72 O ATOM 33363 C1* G B1609 -860.019 -13.029 178.165 1.00851.72 C ATOM 33364 N9 G B1609 -859.167 -12.540 177.088 1.00851.72 N ATOM 33365 C8 G B1609 -858.370 -13.293 176.257 1.00851.72 C ATOM 33366 N7 G B1609 -857.722 -12.577 175.381 1.00851.72 N ATOM 33367 C5 G B1609 -858.116 -11.273 175.647 1.00851.72 C ATOM 33368 C6 G B1609 -857.745 -10.058 175.019 1.00851.72 C ATOM 33369 O6 G B1609 -856.971 -9.887 174.068 1.00851.72 O ATOM 33370 N1 G B1609 -858.381 -8.969 175.601 1.00851.72 N ATOM 33371 C2 G B1609 -859.258 -9.038 176.658 1.00851.72 C ATOM 33372 N2 G B1609 -859.772 -7.875 177.077 1.00851.72 N ATOM 33373 N3 G B1609 -859.609 -10.163 177.249 1.00851.72 N ATOM 33374 C4 G B1609 -859.003 -11.234 176.699 1.00851.72 C ATOM 33375 P A B1610 -862.246 -17.074 176.581 1.00851.72 P ATOM 33376 O1P A B1610 -863.381 -17.920 177.027 1.00851.72 O ATOM 33377 O2P A B1610 -861.036 -17.718 176.006 1.00851.72 O ATOM 33378 O5* A B1610 -862.802 -16.019 175.526 1.00851.72 O ATOM 33379 C5* A B1610 -864.081 -15.411 175.700 1.00851.72 C ATOM 33380 C4* A B1610 -864.182 -14.146 174.874 1.00851.72 C ATOM 33381 O4* A B1610 -863.007 -13.330 175.098 1.00851.72 O ATOM 33382 C3* A B1610 -864.264 -14.277 173.358 1.00851.72 C ATOM 33383 O3* A B1610 -865.595 -14.545 172.931 1.00851.72 O ATOM 33384 C2* A B1610 -863.778 -12.915 172.877 1.00851.72 C ATOM 33385 O2* A B1610 -864.799 -11.940 172.879 1.00851.72 O ATOM 33386 C1* A B1610 -862.733 -12.559 173.943 1.00851.72 C ATOM 33387 N9 A B1610 -861.360 -12.830 173.521 1.00851.72 N ATOM 33388 C8 A B1610 -860.669 -14.013 173.586 1.00851.72 C ATOM 33389 N7 A B1610 -859.439 -13.931 173.137 1.00851.72 N ATOM 33390 C5 A B1610 -859.315 -12.606 172.745 1.00851.72 C ATOM 33391 C6 A B1610 -858.246 -11.881 172.189 1.00851.72 C ATOM 33392 N6 A B1610 -857.049 -12.406 171.915 1.00851.72 N ATOM 33393 N1 A B1610 -858.456 -10.574 171.914 1.00851.72 N ATOM 33394 C2 A B1610 -859.653 -10.042 172.189 1.00851.72 C ATOM 33395 N3 A B1610 -860.728 -10.620 172.715 1.00851.72 N ATOM 33396 C4 A B1610 -860.491 -11.918 172.973 1.00851.72 C ATOM 33397 P U B1611 -865.850 -15.367 171.571 1.00851.72 P ATOM 33398 O1P U B1611 -867.281 -15.192 171.215 1.00851.72 O ATOM 33399 O2P U B1611 -865.301 -16.736 171.743 1.00851.72 O ATOM 33400 O5* U B1611 -864.971 -14.605 170.478 1.00851.72 O ATOM 33401 C5* U B1611 -865.564 -13.631 169.620 1.00851.72 C ATOM 33402 C4* U B1611 -864.669 -13.355 168.434 1.00851.72 C ATOM 33403 O4* U B1611 -863.334 -13.030 168.898 1.00851.72 O ATOM 33404 C3* U B1611 -864.467 -14.502 167.457 1.00851.72 C ATOM 33405 O3* U B1611 -865.514 -14.545 166.492 1.00851.72 O ATOM 33406 C2* U B1611 -863.127 -14.164 166.813 1.00851.72 C ATOM 33407 O2* U B1611 -863.247 -13.238 165.752 1.00851.72 O ATOM 33408 C1* U B1611 -862.373 -13.509 167.974 1.00851.72 C ATOM 33409 N1 U B1611 -861.486 -14.448 168.671 1.00851.72 N ATOM 33410 C2 U B1611 -860.408 -14.955 167.972 1.00851.72 C ATOM 33411 O2 U B1611 -860.160 -14.644 166.820 1.00851.72 O ATOM 33412 N3 U B1611 -859.625 -15.840 168.672 1.00851.72 N ATOM 33413 C4 U B1611 -859.806 -16.257 169.974 1.00851.72 C ATOM 33414 O4 U B1611 -859.012 -17.060 170.470 1.00851.72 O ATOM 33415 C5 U B1611 -860.942 -15.686 170.630 1.00851.72 C ATOM 33416 C6 U B1611 -861.721 -14.824 169.975 1.00851.72 C ATOM 33417 P U B1612 -865.679 -15.842 165.558 1.00851.72 P ATOM 33418 O1P U B1612 -866.985 -15.718 164.858 1.00851.72 O ATOM 33419 O2P U B1612 -865.401 -17.045 166.383 1.00851.72 O ATOM 33420 O5* U B1612 -864.515 -15.700 164.475 1.00851.72 O ATOM 33421 C5* U B1612 -864.609 -14.743 163.424 1.00851.72 C ATOM 33422 C4* U B1612 -863.384 -14.803 162.541 1.00851.72 C ATOM 33423 O4* U B1612 -862.192 -14.824 163.369 1.00851.72 O ATOM 33424 C3* U B1612 -863.203 -16.002 161.627 1.00851.72 C ATOM 33425 O3* U B1612 -863.938 -15.814 160.420 1.00851.72 O ATOM 33426 C2* U B1612 -861.701 -16.011 161.362 1.00851.72 C ATOM 33427 O2* U B1612 -861.331 -15.137 160.313 1.00851.72 O ATOM 33428 C1* U B1612 -861.141 -15.479 162.681 1.00851.72 C ATOM 33429 N1 U B1612 -860.592 -16.533 163.547 1.00851.72 N ATOM 33430 C2 U B1612 -859.223 -16.784 163.475 1.00851.72 C ATOM 33431 O2 U B1612 -858.472 -16.170 162.732 1.00851.72 O ATOM 33432 N3 U B1612 -858.768 -17.779 164.301 1.00851.72 N ATOM 33433 C4 U B1612 -859.537 -18.541 165.177 1.00851.72 C ATOM 33434 O4 U B1612 -858.998 -19.415 165.857 1.00851.72 O ATOM 33435 C5 U B1612 -860.935 -18.218 165.192 1.00851.72 C ATOM 33436 C6 U B1612 -861.400 -17.249 164.395 1.00851.72 C ATOM 33437 P G B1613 -864.109 -17.041 159.389 1.00851.72 P ATOM 33438 O1P G B1613 -865.118 -16.627 158.382 1.00851.72 O ATOM 33439 O2P G B1613 -864.323 -18.284 160.173 1.00851.72 O ATOM 33440 O5* G B1613 -862.698 -17.146 158.657 1.00851.72 O ATOM 33441 C5* G B1613 -862.573 -16.863 157.268 1.00851.72 C ATOM 33442 C4* G B1613 -861.545 -17.770 156.627 1.00851.72 C ATOM 33443 O4* G B1613 -860.230 -17.468 157.146 1.00851.72 O ATOM 33444 C3* G B1613 -861.740 -19.252 156.891 1.00851.72 C ATOM 33445 O3* G B1613 -862.630 -19.821 155.951 1.00851.72 O ATOM 33446 C2* G B1613 -860.338 -19.816 156.722 1.00851.72 C ATOM 33447 O2* G B1613 -860.027 -20.092 155.372 1.00851.72 O ATOM 33448 C1* G B1613 -859.471 -18.664 157.233 1.00851.72 C ATOM 33449 N9 G B1613 -859.070 -18.868 158.618 1.00851.72 N ATOM 33450 C8 G B1613 -859.881 -19.047 159.715 1.00851.72 C ATOM 33451 N7 G B1613 -859.208 -19.228 160.819 1.00851.72 N ATOM 33452 C5 G B1613 -857.878 -19.160 160.425 1.00851.72 C ATOM 33453 C6 G B1613 -856.682 -19.283 161.179 1.00851.72 C ATOM 33454 O6 G B1613 -856.554 -19.487 162.395 1.00851.72 O ATOM 33455 N1 G B1613 -855.553 -19.144 160.377 1.00851.72 N ATOM 33456 C2 G B1613 -855.572 -18.913 159.022 1.00851.72 C ATOM 33457 N2 G B1613 -854.383 -18.801 158.420 1.00851.72 N ATOM 33458 N3 G B1613 -856.675 -18.801 158.311 1.00851.72 N ATOM 33459 C4 G B1613 -857.780 -18.931 159.070 1.00851.72 C ATOM 33460 P C B1614 -864.060 -19.267 156.184 1.00855.43 P ATOM 33461 O1P C B1614 -864.574 -18.738 157.471 1.00855.43 O ATOM 33462 O2P C B1614 -863.515 -20.645 156.121 1.00855.43 O ATOM 33463 O5* C B1614 -865.186 -19.150 155.068 1.00855.43 O ATOM 33464 C5* C B1614 -866.352 -18.356 155.273 1.00855.43 C ATOM 33465 C4* C B1614 -866.649 -17.573 154.024 1.00855.43 C ATOM 33466 O4* C B1614 -865.575 -16.627 153.793 1.00855.43 O ATOM 33467 C3* C B1614 -866.701 -18.423 152.770 1.00855.43 C ATOM 33468 O3* C B1614 -867.986 -18.996 152.566 1.00855.43 O ATOM 33469 C2* C B1614 -866.291 -17.447 151.674 1.00855.43 C ATOM 33470 O2* C B1614 -867.373 -16.659 151.220 1.00855.43 O ATOM 33471 C1* C B1614 -865.279 -16.567 152.412 1.00855.43 C ATOM 33472 N1 C B1614 -863.890 -17.014 152.240 1.00855.43 N ATOM 33473 C2 C B1614 -862.982 -16.182 151.578 1.00855.43 C ATOM 33474 O2 C B1614 -863.374 -15.089 151.149 1.00855.43 O ATOM 33475 N3 C B1614 -861.701 -16.589 151.427 1.00855.43 N ATOM 33476 C4 C B1614 -861.319 -17.779 151.902 1.00855.43 C ATOM 33477 N4 C B1614 -860.047 -18.136 151.733 1.00855.43 N ATOM 33478 C5 C B1614 -862.223 -18.647 152.573 1.00855.43 C ATOM 33479 C6 C B1614 -863.487 -18.231 152.719 1.00855.43 C ATOM 33480 P C B1615 -868.279 -20.489 153.089 1.00855.43 P ATOM 33481 O1P C B1615 -869.413 -20.426 154.043 1.00855.43 O ATOM 33482 O2P C B1615 -866.990 -21.093 153.519 1.00855.43 O ATOM 33483 O5* C B1615 -868.767 -21.253 151.781 1.00855.43 O ATOM 33484 C5* C B1615 -870.058 -21.010 151.238 1.00855.43 C ATOM 33485 C4* C B1615 -869.958 -20.729 149.759 1.00855.43 C ATOM 33486 O4* C B1615 -869.001 -19.663 149.523 1.00855.43 O ATOM 33487 C3* C B1615 -869.510 -21.887 148.892 1.00855.43 C ATOM 33488 O3* C B1615 -870.659 -22.639 148.531 1.00855.43 O ATOM 33489 C2* C B1615 -868.861 -21.192 147.699 1.00855.43 C ATOM 33490 O2* C B1615 -869.803 -20.799 146.721 1.00855.43 O ATOM 33491 C1* C B1615 -868.252 -19.948 148.353 1.00855.43 C ATOM 33492 N1 C B1615 -866.844 -20.131 148.732 1.00855.43 N ATOM 33493 C2 C B1615 -865.853 -19.951 147.759 1.00855.43 C ATOM 33494 O2 C B1615 -866.192 -19.639 146.610 1.00855.43 O ATOM 33495 N3 C B1615 -864.556 -20.123 148.096 1.00855.43 N ATOM 33496 C4 C B1615 -864.232 -20.461 149.346 1.00855.43 C ATOM 33497 N4 C B1615 -862.938 -20.624 149.634 1.00855.43 N ATOM 33498 C5 C B1615 -865.218 -20.647 150.359 1.00855.43 C ATOM 33499 C6 C B1615 -866.500 -20.471 150.012 1.00855.43 C ATOM 33500 P C B1616 -870.476 -24.108 147.906 1.00855.43 P ATOM 33501 O1P C B1616 -871.770 -24.486 147.280 1.00855.43 O ATOM 33502 O2P C B1616 -869.883 -24.985 148.946 1.00855.43 O ATOM 33503 O5* C B1616 -869.405 -23.899 146.746 1.00855.43 O ATOM 33504 C5* C B1616 -869.508 -24.634 145.531 1.00855.43 C ATOM 33505 C4* C B1616 -868.209 -25.341 145.221 1.00855.43 C ATOM 33506 O4* C B1616 -867.089 -24.586 145.755 1.00855.43 O ATOM 33507 C3* C B1616 -868.098 -26.738 145.825 1.00855.43 C ATOM 33508 O3* C B1616 -868.642 -27.733 144.964 1.00855.43 O ATOM 33509 C2* C B1616 -866.591 -26.910 145.982 1.00855.43 C ATOM 33510 O2* C B1616 -865.965 -27.332 144.789 1.00855.43 O ATOM 33511 C1* C B1616 -866.138 -25.483 146.310 1.00855.43 C ATOM 33512 N1 C B1616 -866.043 -25.251 147.759 1.00855.43 N ATOM 33513 C2 C B1616 -864.971 -25.821 148.452 1.00855.43 C ATOM 33514 O2 C B1616 -864.123 -26.466 147.818 1.00855.43 O ATOM 33515 N3 C B1616 -864.883 -25.654 149.792 1.00855.43 N ATOM 33516 C4 C B1616 -865.812 -24.942 150.435 1.00855.43 C ATOM 33517 N4 C B1616 -865.688 -24.811 151.759 1.00855.43 N ATOM 33518 C5 C B1616 -866.906 -24.338 149.750 1.00855.43 C ATOM 33519 C6 C B1616 -866.982 -24.516 148.426 1.00855.43 C ATOM 33520 P G B1617 -869.313 -29.049 145.599 1.00855.43 P ATOM 33521 O1P G B1617 -870.095 -29.709 144.524 1.00855.43 O ATOM 33522 O2P G B1617 -869.990 -28.660 146.864 1.00855.43 O ATOM 33523 O5* G B1617 -868.076 -29.988 145.963 1.00855.43 O ATOM 33524 C5* G B1617 -867.530 -30.884 144.999 1.00855.43 C ATOM 33525 C4* G B1617 -866.109 -31.255 145.365 1.00855.43 C ATOM 33526 O4* G B1617 -865.411 -30.085 145.858 1.00855.43 O ATOM 33527 C3* G B1617 -865.895 -32.302 146.448 1.00855.43 C ATOM 33528 O3* G B1617 -865.999 -33.606 145.886 1.00855.43 O ATOM 33529 C2* G B1617 -864.479 -32.002 146.924 1.00855.43 C ATOM 33530 O2* G B1617 -863.496 -32.599 146.099 1.00855.43 O ATOM 33531 C1* G B1617 -864.408 -30.480 146.778 1.00855.43 C ATOM 33532 N9 G B1617 -864.645 -29.779 148.035 1.00855.43 N ATOM 33533 C8 G B1617 -865.825 -29.208 148.452 1.00855.43 C ATOM 33534 N7 G B1617 -865.736 -28.650 149.628 1.00855.43 N ATOM 33535 C5 G B1617 -864.422 -28.866 150.014 1.00855.43 C ATOM 33536 C6 G B1617 -863.740 -28.494 151.202 1.00855.43 C ATOM 33537 O6 G B1617 -864.175 -27.874 152.179 1.00855.43 O ATOM 33538 N1 G B1617 -862.415 -28.913 151.182 1.00855.43 N ATOM 33539 C2 G B1617 -861.818 -29.604 150.156 1.00855.43 C ATOM 33540 N2 G B1617 -860.524 -29.918 150.335 1.00855.43 N ATOM 33541 N3 G B1617 -862.442 -29.960 149.045 1.00855.43 N ATOM 33542 C4 G B1617 -863.732 -29.562 149.041 1.00855.43 C ATOM 33543 P U B1618 -866.194 -34.884 146.844 1.00855.43 P ATOM 33544 O1P U B1618 -865.635 -36.065 146.141 1.00855.43 O ATOM 33545 O2P U B1618 -867.607 -34.899 147.295 1.00855.43 O ATOM 33546 O5* U B1618 -865.280 -34.582 148.115 1.00855.43 O ATOM 33547 C5* U B1618 -863.942 -35.076 148.217 1.00855.43 C ATOM 33548 C4* U B1618 -863.505 -35.045 149.665 1.00855.43 C ATOM 33549 O4* U B1618 -863.687 -33.678 150.111 1.00855.43 O ATOM 33550 C3* U B1618 -864.282 -35.860 150.676 1.00855.43 C ATOM 33551 O3* U B1618 -863.689 -37.158 150.724 1.00855.43 O ATOM 33552 C2* U B1618 -864.044 -35.100 151.976 1.00855.43 C ATOM 33553 O2* U B1618 -862.808 -35.432 152.581 1.00855.43 O ATOM 33554 C1* U B1618 -864.000 -33.651 151.487 1.00855.43 C ATOM 33555 N1 U B1618 -865.275 -32.936 151.630 1.00855.43 N ATOM 33556 C2 U B1618 -865.765 -32.725 152.905 1.00855.43 C ATOM 33557 O2 U B1618 -865.200 -33.130 153.905 1.00855.43 O ATOM 33558 N3 U B1618 -866.941 -32.018 152.964 1.00855.43 N ATOM 33559 C4 U B1618 -867.663 -31.517 151.900 1.00855.43 C ATOM 33560 O4 U B1618 -868.700 -30.887 152.115 1.00855.43 O ATOM 33561 C5 U B1618 -867.102 -31.789 150.617 1.00855.43 C ATOM 33562 C6 U B1618 -865.957 -32.472 150.527 1.00855.43 C ATOM 33563 P A B1619 -864.286 -38.281 151.707 1.00855.43 P ATOM 33564 O1P A B1619 -865.179 -37.582 152.669 1.00855.43 O ATOM 33565 O2P A B1619 -863.166 -39.107 152.222 1.00855.43 O ATOM 33566 O5* A B1619 -865.202 -39.197 150.777 1.00855.43 O ATOM 33567 C5* A B1619 -866.429 -38.704 150.253 1.00855.43 C ATOM 33568 C4* A B1619 -867.342 -39.850 149.872 1.00855.43 C ATOM 33569 O4* A B1619 -868.661 -39.349 149.538 1.00855.43 O ATOM 33570 C3* A B1619 -866.887 -40.671 148.668 1.00855.43 C ATOM 33571 O3* A B1619 -866.000 -41.723 149.035 1.00855.43 O ATOM 33572 C2* A B1619 -868.201 -41.218 148.124 1.00855.43 C ATOM 33573 O2* A B1619 -868.620 -42.393 148.792 1.00855.43 O ATOM 33574 C1* A B1619 -869.177 -40.081 148.441 1.00855.43 C ATOM 33575 N9 A B1619 -869.400 -39.183 147.305 1.00855.43 N ATOM 33576 C8 A B1619 -869.563 -37.823 147.387 1.00855.43 C ATOM 33577 N7 A B1619 -869.806 -37.247 146.239 1.00855.43 N ATOM 33578 C5 A B1619 -869.789 -38.292 145.330 1.00855.43 C ATOM 33579 C6 A B1619 -870.003 -38.335 143.941 1.00855.43 C ATOM 33580 N6 A B1619 -870.268 -37.258 143.188 1.00855.43 N ATOM 33581 N1 A B1619 -869.939 -39.529 143.336 1.00855.43 N ATOM 33582 C2 A B1619 -869.646 -40.613 144.081 1.00855.43 C ATOM 33583 N3 A B1619 -869.425 -40.703 145.393 1.00855.43 N ATOM 33584 C4 A B1619 -869.523 -39.494 145.969 1.00855.43 C ATOM 33585 P C B1620 -864.958 -42.299 147.955 1.00855.43 P ATOM 33586 O1P C B1620 -864.163 -43.357 148.633 1.00855.43 O ATOM 33587 O2P C B1620 -864.262 -41.153 147.321 1.00855.43 O ATOM 33588 O5* C B1620 -865.874 -43.004 146.856 1.00855.43 O ATOM 33589 C5* C B1620 -866.675 -44.136 147.188 1.00855.43 C ATOM 33590 C4* C B1620 -867.385 -44.663 145.962 1.00855.43 C ATOM 33591 O4* C B1620 -868.065 -43.575 145.277 1.00855.43 O ATOM 33592 C3* C B1620 -866.500 -45.291 144.905 1.00855.43 C ATOM 33593 O3* C B1620 -866.283 -46.664 145.206 1.00855.43 O ATOM 33594 C2* C B1620 -867.316 -45.122 143.631 1.00855.43 C ATOM 33595 O2* C B1620 -868.296 -46.130 143.472 1.00855.43 O ATOM 33596 C1* C B1620 -867.995 -43.777 143.874 1.00855.43 C ATOM 33597 N1 C B1620 -867.209 -42.683 143.289 1.00855.43 N ATOM 33598 C2 C B1620 -867.317 -42.433 141.919 1.00855.43 C ATOM 33599 O2 C B1620 -868.077 -43.137 141.234 1.00855.43 O ATOM 33600 N3 C B1620 -866.588 -41.433 141.371 1.00855.43 N ATOM 33601 C4 C B1620 -865.774 -40.706 142.139 1.00855.43 C ATOM 33602 N4 C B1620 -865.077 -39.726 141.560 1.00855.43 N ATOM 33603 C5 C B1620 -865.644 -40.946 143.533 1.00855.43 C ATOM 33604 C6 C B1620 -866.377 -41.929 144.066 1.00855.43 C ATOM 33605 P C B1621 -864.794 -47.260 145.130 1.00855.43 P ATOM 33606 O1P C B1621 -864.828 -48.634 145.696 1.00855.43 O ATOM 33607 O2P C B1621 -863.859 -46.254 145.699 1.00855.43 O ATOM 33608 O5* C B1621 -864.505 -47.374 143.567 1.00855.43 O ATOM 33609 C5* C B1621 -864.646 -48.622 142.894 1.00855.43 C ATOM 33610 C4* C B1621 -863.986 -48.570 141.535 1.00855.43 C ATOM 33611 O4* C B1621 -864.584 -47.529 140.722 1.00855.43 O ATOM 33612 C3* C B1621 -862.484 -48.282 141.530 1.00855.43 C ATOM 33613 O3* C B1621 -861.705 -49.458 141.708 1.00855.43 O ATOM 33614 C2* C B1621 -862.269 -47.687 140.140 1.00855.43 C ATOM 33615 O2* C B1621 -862.067 -48.666 139.140 1.00855.43 O ATOM 33616 C1* C B1621 -863.591 -46.954 139.891 1.00855.43 C ATOM 33617 N1 C B1621 -863.508 -45.519 140.171 1.00855.43 N ATOM 33618 C2 C B1621 -863.113 -44.662 139.145 1.00855.43 C ATOM 33619 O2 C B1621 -862.878 -45.142 138.023 1.00855.43 O ATOM 33620 N3 C B1621 -862.996 -43.338 139.397 1.00855.43 N ATOM 33621 C4 C B1621 -863.265 -42.867 140.617 1.00855.43 C ATOM 33622 N4 C B1621 -863.129 -41.558 140.829 1.00855.43 N ATOM 33623 C5 C B1621 -863.686 -43.720 141.678 1.00855.43 C ATOM 33624 C6 C B1621 -863.793 -45.028 141.415 1.00855.43 C ATOM 33625 P G B1622 -860.339 -49.389 142.555 1.00855.43 P ATOM 33626 O1P G B1622 -859.619 -50.666 142.316 1.00855.43 O ATOM 33627 O2P G B1622 -860.668 -48.974 143.941 1.00855.43 O ATOM 33628 O5* G B1622 -859.512 -48.216 141.858 1.00855.43 O ATOM 33629 C5* G B1622 -858.500 -48.517 140.902 1.00855.43 C ATOM 33630 C4* G B1622 -858.163 -47.294 140.078 1.00855.43 C ATOM 33631 O4* G B1622 -859.343 -46.464 139.911 1.00855.43 O ATOM 33632 C3* G B1622 -857.095 -46.343 140.595 1.00855.43 C ATOM 33633 O3* G B1622 -855.789 -46.807 140.266 1.00855.43 O ATOM 33634 C2* G B1622 -857.428 -45.047 139.867 1.00855.43 C ATOM 33635 O2* G B1622 -856.904 -45.009 138.554 1.00855.43 O ATOM 33636 C1* G B1622 -858.956 -45.103 139.803 1.00855.43 C ATOM 33637 N9 G B1622 -859.568 -44.350 140.894 1.00855.43 N ATOM 33638 C8 G B1622 -860.155 -44.860 142.025 1.00855.43 C ATOM 33639 N7 G B1622 -860.578 -43.935 142.843 1.00855.43 N ATOM 33640 C5 G B1622 -860.260 -42.740 142.208 1.00855.43 C ATOM 33641 C6 G B1622 -860.470 -41.396 142.619 1.00855.43 C ATOM 33642 O6 G B1622 -860.992 -40.978 143.658 1.00855.43 O ATOM 33643 N1 G B1622 -859.998 -40.497 141.670 1.00855.43 N ATOM 33644 C2 G B1622 -859.397 -40.838 140.487 1.00855.43 C ATOM 33645 N2 G B1622 -859.011 -39.815 139.710 1.00855.43 N ATOM 33646 N3 G B1622 -859.188 -42.085 140.094 1.00855.43 N ATOM 33647 C4 G B1622 -859.645 -42.980 141.000 1.00855.43 C ATOM 33648 P C B1623 -854.506 -46.092 140.921 1.00855.43 P ATOM 33649 O1P C B1623 -854.312 -46.682 142.268 1.00855.43 O ATOM 33650 O2P C B1623 -854.676 -44.624 140.779 1.00855.43 O ATOM 33651 O5* C B1623 -853.281 -46.539 140.003 1.00855.43 O ATOM 33652 C5* C B1623 -853.288 -47.802 139.340 1.00855.43 C ATOM 33653 C4* C B1623 -853.562 -47.617 137.861 1.00855.43 C ATOM 33654 O4* C B1623 -852.480 -46.867 137.249 1.00855.43 O ATOM 33655 C3* C B1623 -853.640 -48.903 137.067 1.00855.43 C ATOM 33656 O3* C B1623 -854.958 -49.439 137.128 1.00855.43 O ATOM 33657 C2* C B1623 -853.273 -48.457 135.655 1.00855.43 C ATOM 33658 O2* C B1623 -854.374 -47.939 134.941 1.00855.43 O ATOM 33659 C1* C B1623 -852.270 -47.336 135.927 1.00855.43 C ATOM 33660 N1 C B1623 -850.876 -47.783 135.784 1.00855.43 N ATOM 33661 C2 C B1623 -850.382 -48.023 134.497 1.00855.43 C ATOM 33662 O2 C B1623 -851.127 -47.825 133.523 1.00855.43 O ATOM 33663 N3 C B1623 -849.113 -48.463 134.342 1.00855.43 N ATOM 33664 C4 C B1623 -848.342 -48.658 135.416 1.00855.43 C ATOM 33665 N4 C B1623 -847.100 -49.106 135.220 1.00855.43 N ATOM 33666 C5 C B1623 -848.815 -48.410 136.738 1.00855.43 C ATOM 33667 C6 C B1623 -850.075 -47.976 136.873 1.00855.43 C ATOM 33668 P A B1624 -855.196 -50.897 137.763 1.00855.43 P ATOM 33669 O1P A B1624 -855.236 -50.736 139.238 1.00855.43 O ATOM 33670 O2P A B1624 -854.224 -51.839 137.151 1.00855.43 O ATOM 33671 O5* A B1624 -856.660 -51.291 137.269 1.00855.43 O ATOM 33672 C5* A B1624 -857.628 -51.754 138.202 1.00855.43 C ATOM 33673 C4* A B1624 -858.969 -51.108 137.949 1.00855.43 C ATOM 33674 O4* A B1624 -858.797 -49.678 138.095 1.00855.43 O ATOM 33675 C3* A B1624 -859.518 -51.270 136.555 1.00855.43 C ATOM 33676 O3* A B1624 -860.239 -52.494 136.458 1.00855.43 O ATOM 33677 C2* A B1624 -860.403 -50.044 136.385 1.00855.43 C ATOM 33678 O2* A B1624 -861.683 -50.213 136.967 1.00855.43 O ATOM 33679 C1* A B1624 -859.629 -48.990 137.179 1.00855.43 C ATOM 33680 N9 A B1624 -858.751 -48.150 136.367 1.00855.43 N ATOM 33681 C8 A B1624 -857.618 -48.534 135.689 1.00855.43 C ATOM 33682 N7 A B1624 -856.996 -47.547 135.097 1.00855.43 N ATOM 33683 C5 A B1624 -857.775 -46.439 135.389 1.00855.43 C ATOM 33684 C6 A B1624 -857.650 -45.080 135.058 1.00855.43 C ATOM 33685 N6 A B1624 -856.640 -44.585 134.341 1.00855.43 N ATOM 33686 N1 A B1624 -858.609 -44.236 135.497 1.00855.43 N ATOM 33687 C2 A B1624 -859.614 -44.731 136.224 1.00855.43 C ATOM 33688 N3 A B1624 -859.839 -45.985 136.609 1.00855.43 N ATOM 33689 C4 A B1624 -858.872 -46.800 136.154 1.00855.43 C ATOM 33690 P A B1625 -860.139 -53.380 135.119 1.00855.43 P ATOM 33691 O1P A B1625 -859.368 -54.604 135.448 1.00855.43 O ATOM 33692 O2P A B1625 -859.692 -52.509 134.003 1.00855.43 O ATOM 33693 O5* A B1625 -861.643 -53.817 134.826 1.00855.43 O ATOM 33694 C5* A B1625 -862.632 -52.859 134.470 1.00855.43 C ATOM 33695 C4* A B1625 -863.123 -53.119 133.066 1.00855.43 C ATOM 33696 O4* A B1625 -863.733 -54.430 133.014 1.00855.43 O ATOM 33697 C3* A B1625 -864.208 -52.195 132.579 1.00855.43 C ATOM 33698 O3* A B1625 -863.676 -50.957 132.120 1.00855.43 O ATOM 33699 C2* A B1625 -864.887 -53.012 131.493 1.00855.43 C ATOM 33700 O2* A B1625 -864.188 -52.942 130.263 1.00855.43 O ATOM 33701 C1* A B1625 -864.789 -54.426 132.073 1.00855.43 C ATOM 33702 N9 A B1625 -866.002 -54.852 132.777 1.00855.43 N ATOM 33703 C8 A B1625 -866.395 -56.137 133.043 1.00855.43 C ATOM 33704 N7 A B1625 -867.519 -56.220 133.711 1.00855.43 N ATOM 33705 C5 A B1625 -867.894 -54.894 133.896 1.00855.43 C ATOM 33706 C6 A B1625 -869.000 -54.307 134.532 1.00855.43 C ATOM 33707 N6 A B1625 -869.973 -55.006 135.122 1.00855.43 N ATOM 33708 N1 A B1625 -869.076 -52.957 134.540 1.00855.43 N ATOM 33709 C2 A B1625 -868.105 -52.260 133.946 1.00855.43 C ATOM 33710 N3 A B1625 -867.019 -52.697 133.313 1.00855.43 N ATOM 33711 C4 A B1625 -866.971 -54.042 133.323 1.00855.43 C ATOM 33712 P A B1626 -863.773 -49.668 133.069 1.00855.43 P ATOM 33713 O1P A B1626 -862.381 -49.273 133.404 1.00855.43 O ATOM 33714 O2P A B1626 -864.720 -50.013 134.156 1.00855.43 O ATOM 33715 O5* A B1626 -864.416 -48.517 132.169 1.00855.43 O ATOM 33716 C5* A B1626 -865.694 -48.675 131.546 1.00855.43 C ATOM 33717 C4* A B1626 -866.784 -48.104 132.427 1.00855.43 C ATOM 33718 O4* A B1626 -867.047 -48.991 133.536 1.00855.43 O ATOM 33719 C3* A B1626 -866.498 -46.748 133.056 1.00855.43 C ATOM 33720 O3* A B1626 -866.866 -45.699 132.161 1.00855.43 O ATOM 33721 C2* A B1626 -867.384 -46.749 134.301 1.00855.43 C ATOM 33722 O2* A B1626 -868.694 -46.293 134.038 1.00855.43 O ATOM 33723 C1* A B1626 -867.433 -48.238 134.670 1.00855.43 C ATOM 33724 N9 A B1626 -866.584 -48.653 135.784 1.00855.43 N ATOM 33725 C8 A B1626 -865.423 -48.074 136.226 1.00855.43 C ATOM 33726 N7 A B1626 -864.841 -48.732 137.200 1.00855.43 N ATOM 33727 C5 A B1626 -865.692 -49.803 137.430 1.00855.43 C ATOM 33728 C6 A B1626 -865.637 -50.877 138.335 1.00855.43 C ATOM 33729 N6 A B1626 -864.642 -51.059 139.209 1.00855.43 N ATOM 33730 N1 A B1626 -866.648 -51.770 138.313 1.00855.43 N ATOM 33731 C2 A B1626 -867.641 -51.592 137.432 1.00855.43 C ATOM 33732 N3 A B1626 -867.803 -50.630 136.528 1.00855.43 N ATOM 33733 C4 A B1626 -866.780 -49.757 136.578 1.00855.43 C ATOM 33734 P C B1627 -865.735 -44.917 131.332 1.00855.43 P ATOM 33735 O1P C B1627 -866.415 -44.279 130.173 1.00855.43 O ATOM 33736 O2P C B1627 -864.590 -45.831 131.095 1.00855.43 O ATOM 33737 O5* C B1627 -865.252 -43.758 132.311 1.00855.43 O ATOM 33738 C5* C B1627 -865.465 -42.390 131.987 1.00855.43 C ATOM 33739 C4* C B1627 -864.158 -41.741 131.603 1.00855.43 C ATOM 33740 O4* C B1627 -863.214 -41.933 132.687 1.00855.43 O ATOM 33741 C3* C B1627 -863.465 -42.321 130.384 1.00855.43 C ATOM 33742 O3* C B1627 -863.942 -41.709 129.194 1.00855.43 O ATOM 33743 C2* C B1627 -862.003 -42.006 130.642 1.00855.43 C ATOM 33744 O2* C B1627 -861.646 -40.689 130.271 1.00855.43 O ATOM 33745 C1* C B1627 -861.922 -42.162 132.162 1.00855.43 C ATOM 33746 N1 C B1627 -861.514 -43.523 132.539 1.00855.43 N ATOM 33747 C2 C B1627 -860.164 -43.851 132.470 1.00855.43 C ATOM 33748 O2 C B1627 -859.360 -42.983 132.100 1.00855.43 O ATOM 33749 N3 C B1627 -859.766 -45.100 132.807 1.00855.43 N ATOM 33750 C4 C B1627 -860.666 -46.003 133.193 1.00855.43 C ATOM 33751 N4 C B1627 -860.230 -47.223 133.515 1.00855.43 N ATOM 33752 C5 C B1627 -862.055 -45.696 133.270 1.00855.43 C ATOM 33753 C6 C B1627 -862.431 -44.455 132.937 1.00855.43 C ATOM 33754 P C B1628 -864.447 -42.635 127.983 1.00855.43 P ATOM 33755 O1P C B1628 -865.682 -42.011 127.450 1.00855.43 O ATOM 33756 O2P C B1628 -864.479 -44.043 128.445 1.00855.43 O ATOM 33757 O5* C B1628 -863.298 -42.501 126.887 1.00855.43 O ATOM 33758 C5* C B1628 -863.077 -41.269 126.219 1.00855.43 C ATOM 33759 C4* C B1628 -861.757 -41.294 125.480 1.00855.43 C ATOM 33760 O4* C B1628 -860.681 -41.420 126.432 1.00855.43 O ATOM 33761 C3* C B1628 -861.612 -42.463 124.533 1.00855.43 C ATOM 33762 O3* C B1628 -862.109 -42.108 123.246 1.00855.43 O ATOM 33763 C2* C B1628 -860.109 -42.682 124.497 1.00855.43 C ATOM 33764 O2* C B1628 -859.466 -41.808 123.591 1.00855.43 O ATOM 33765 C1* C B1628 -859.711 -42.315 125.927 1.00855.43 C ATOM 33766 N1 C B1628 -859.714 -43.493 126.792 1.00855.43 N ATOM 33767 C2 C B1628 -858.749 -44.462 126.600 1.00855.43 C ATOM 33768 O2 C B1628 -857.907 -44.292 125.711 1.00855.43 O ATOM 33769 N3 C B1628 -858.754 -45.564 127.384 1.00855.43 N ATOM 33770 C4 C B1628 -859.686 -45.705 128.328 1.00855.43 C ATOM 33771 N4 C B1628 -859.658 -46.808 129.076 1.00855.43 N ATOM 33772 C5 C B1628 -860.689 -44.720 128.547 1.00855.43 C ATOM 33773 C6 C B1628 -860.662 -43.638 127.768 1.00855.43 C ATOM 33774 P G B1629 -862.930 -43.178 122.372 1.00855.43 P ATOM 33775 O1P G B1629 -863.593 -42.479 121.245 1.00855.43 O ATOM 33776 O2P G B1629 -863.743 -44.014 123.288 1.00855.43 O ATOM 33777 O5* G B1629 -861.792 -44.079 121.731 1.00855.43 O ATOM 33778 C5* G B1629 -862.117 -45.215 120.952 1.00855.43 C ATOM 33779 C4* G B1629 -860.902 -46.083 120.800 1.00855.43 C ATOM 33780 O4* G B1629 -860.285 -46.264 122.093 1.00855.43 O ATOM 33781 C3* G B1629 -861.178 -47.482 120.285 1.00855.43 C ATOM 33782 O3* G B1629 -861.219 -47.527 118.868 1.00855.43 O ATOM 33783 C2* G B1629 -860.021 -48.284 120.863 1.00855.43 C ATOM 33784 O2* G B1629 -858.859 -48.199 120.067 1.00855.43 O ATOM 33785 C1* G B1629 -859.788 -47.582 122.202 1.00855.43 C ATOM 33786 N9 G B1629 -860.485 -48.226 123.305 1.00855.43 N ATOM 33787 C8 G B1629 -861.469 -47.686 124.094 1.00855.43 C ATOM 33788 N7 G B1629 -861.912 -48.515 124.996 1.00855.43 N ATOM 33789 C5 G B1629 -861.171 -49.670 124.793 1.00855.43 C ATOM 33790 C6 G B1629 -861.210 -50.916 125.463 1.00855.43 C ATOM 33791 O6 G B1629 -861.934 -51.267 126.397 1.00855.43 O ATOM 33792 N1 G B1629 -860.283 -51.810 124.932 1.00855.43 N ATOM 33793 C2 G B1629 -859.433 -51.540 123.889 1.00855.43 C ATOM 33794 N2 G B1629 -858.606 -52.531 123.520 1.00855.43 N ATOM 33795 N3 G B1629 -859.394 -50.384 123.251 1.00855.43 N ATOM 33796 C4 G B1629 -860.285 -49.504 123.751 1.00855.43 C ATOM 33797 P A B1630 -862.130 -48.620 118.138 1.00855.43 P ATOM 33798 O1P A B1630 -862.053 -49.864 118.948 1.00855.43 O ATOM 33799 O2P A B1630 -861.753 -48.655 116.703 1.00855.43 O ATOM 33800 O5* A B1630 -863.609 -48.039 118.271 1.00855.43 O ATOM 33801 C5* A B1630 -863.864 -46.632 118.230 1.00855.43 C ATOM 33802 C4* A B1630 -865.346 -46.391 118.125 1.00855.43 C ATOM 33803 O4* A B1630 -865.823 -46.968 116.889 1.00855.43 O ATOM 33804 C3* A B1630 -866.214 -47.013 119.204 1.00855.43 C ATOM 33805 O3* A B1630 -866.282 -46.157 120.341 1.00855.43 O ATOM 33806 C2* A B1630 -867.559 -47.186 118.511 1.00855.43 C ATOM 33807 O2* A B1630 -868.339 -46.009 118.540 1.00855.43 O ATOM 33808 C1* A B1630 -867.126 -47.483 117.069 1.00855.43 C ATOM 33809 N9 A B1630 -867.069 -48.904 116.731 1.00855.43 N ATOM 33810 C8 A B1630 -866.157 -49.809 117.207 1.00855.43 C ATOM 33811 N7 A B1630 -866.318 -51.023 116.747 1.00855.43 N ATOM 33812 C5 A B1630 -867.414 -50.912 115.907 1.00855.43 C ATOM 33813 C6 A B1630 -868.091 -51.853 115.113 1.00855.43 C ATOM 33814 N6 A B1630 -867.745 -53.140 115.039 1.00855.43 N ATOM 33815 N1 A B1630 -869.146 -51.421 114.389 1.00855.43 N ATOM 33816 C2 A B1630 -869.488 -50.128 114.468 1.00855.43 C ATOM 33817 N3 A B1630 -868.933 -49.147 115.179 1.00855.43 N ATOM 33818 C4 A B1630 -867.887 -49.613 115.885 1.00855.43 C ATOM 33819 P C B1631 -865.940 -46.731 121.800 1.00855.43 P ATOM 33820 O1P C B1631 -865.903 -45.578 122.735 1.00855.43 O ATOM 33821 O2P C B1631 -864.755 -47.622 121.694 1.00855.43 O ATOM 33822 O5* C B1631 -867.203 -47.621 122.190 1.00855.43 O ATOM 33823 C5* C B1631 -867.303 -48.192 123.490 1.00855.43 C ATOM 33824 C4* C B1631 -868.603 -48.943 123.640 1.00855.43 C ATOM 33825 O4* C B1631 -868.745 -49.902 122.572 1.00855.43 O ATOM 33826 C3* C B1631 -868.761 -49.738 124.936 1.00855.43 C ATOM 33827 O3* C B1631 -869.299 -48.916 125.968 1.00855.43 O ATOM 33828 C2* C B1631 -869.734 -50.850 124.544 1.00855.43 C ATOM 33829 O2* C B1631 -871.085 -50.485 124.732 1.00855.43 O ATOM 33830 C1* C B1631 -869.456 -51.024 123.043 1.00855.43 C ATOM 33831 N1 C B1631 -868.756 -52.237 122.601 1.00855.43 N ATOM 33832 C2 C B1631 -869.501 -53.385 122.326 1.00855.43 C ATOM 33833 O2 C B1631 -870.726 -53.369 122.525 1.00855.43 O ATOM 33834 N3 C B1631 -868.871 -54.486 121.852 1.00855.43 N ATOM 33835 C4 C B1631 -867.550 -54.465 121.661 1.00855.43 C ATOM 33836 N4 C B1631 -866.973 -55.559 121.167 1.00855.43 N ATOM 33837 C5 C B1631 -866.764 -53.315 121.960 1.00855.43 C ATOM 33838 C6 C B1631 -867.400 -52.237 122.430 1.00855.43 C ATOM 33839 P A B1632 -869.568 -49.529 127.424 1.00855.43 P ATOM 33840 O1P A B1632 -870.956 -50.053 127.426 1.00855.43 O ATOM 33841 O2P A B1632 -869.165 -48.527 128.445 1.00855.43 O ATOM 33842 O5* A B1632 -868.575 -50.766 127.505 1.00855.43 O ATOM 33843 C5* A B1632 -867.390 -50.709 128.295 1.00855.43 C ATOM 33844 C4* A B1632 -867.306 -51.937 129.164 1.00855.43 C ATOM 33845 O4* A B1632 -868.352 -51.872 130.159 1.00855.43 O ATOM 33846 C3* A B1632 -867.549 -53.237 128.419 1.00855.43 C ATOM 33847 O3* A B1632 -866.357 -53.752 127.833 1.00855.43 O ATOM 33848 C2* A B1632 -868.122 -54.154 129.495 1.00855.43 C ATOM 33849 O2* A B1632 -867.114 -54.779 130.264 1.00855.43 O ATOM 33850 C1* A B1632 -868.888 -53.162 130.377 1.00855.43 C ATOM 33851 N9 A B1632 -870.328 -53.081 130.138 1.00855.43 N ATOM 33852 C8 A B1632 -870.981 -52.680 129.001 1.00855.43 C ATOM 33853 N7 A B1632 -872.286 -52.661 129.118 1.00855.43 N ATOM 33854 C5 A B1632 -872.509 -53.094 130.420 1.00855.43 C ATOM 33855 C6 A B1632 -873.686 -53.284 131.164 1.00855.43 C ATOM 33856 N6 A B1632 -874.909 -53.049 130.692 1.00855.43 N ATOM 33857 N1 A B1632 -873.557 -53.733 132.432 1.00855.43 N ATOM 33858 C2 A B1632 -872.330 -53.963 132.909 1.00855.43 C ATOM 33859 N3 A B1632 -871.151 -53.814 132.308 1.00855.43 N ATOM 33860 C4 A B1632 -871.312 -53.371 131.050 1.00855.43 C ATOM 33861 P C B1633 -866.438 -54.888 126.701 1.00855.43 P ATOM 33862 O1P C B1633 -866.585 -54.206 125.392 1.00855.43 O ATOM 33863 O2P C B1633 -867.439 -55.904 127.119 1.00855.43 O ATOM 33864 O5* C B1633 -864.992 -55.558 126.752 1.00855.43 O ATOM 33865 C5* C B1633 -864.825 -56.963 126.596 1.00855.43 C ATOM 33866 C4* C B1633 -863.576 -57.255 125.800 1.00855.43 C ATOM 33867 O4* C B1633 -863.712 -56.686 124.475 1.00855.43 O ATOM 33868 C3* C B1633 -862.293 -56.661 126.373 1.00855.43 C ATOM 33869 O3* C B1633 -861.706 -57.578 127.290 1.00855.43 O ATOM 33870 C2* C B1633 -861.431 -56.444 125.135 1.00855.43 C ATOM 33871 O2* C B1633 -860.700 -57.601 124.777 1.00855.43 O ATOM 33872 C1* C B1633 -862.479 -56.136 124.061 1.00855.43 C ATOM 33873 N1 C B1633 -862.702 -54.706 123.789 1.00855.43 N ATOM 33874 C2 C B1633 -861.798 -54.021 122.971 1.00855.43 C ATOM 33875 O2 C B1633 -860.803 -54.622 122.539 1.00855.43 O ATOM 33876 N3 C B1633 -862.030 -52.724 122.677 1.00855.43 N ATOM 33877 C4 C B1633 -863.101 -52.106 123.176 1.00855.43 C ATOM 33878 N4 C B1633 -863.296 -50.826 122.850 1.00855.43 N ATOM 33879 C5 C B1633 -864.022 -52.772 124.034 1.00855.43 C ATOM 33880 C6 C B1633 -863.785 -54.058 124.312 1.00855.43 C ATOM 33881 P A B1634 -860.715 -57.046 128.436 1.00855.43 P ATOM 33882 O1P A B1634 -861.563 -56.555 129.550 1.00855.43 O ATOM 33883 O2P A B1634 -859.715 -56.139 127.819 1.00855.43 O ATOM 33884 O5* A B1634 -859.967 -58.359 128.937 1.00855.43 O ATOM 33885 C5* A B1634 -858.856 -58.263 129.821 1.00855.43 C ATOM 33886 C4* A B1634 -857.643 -58.931 129.219 1.00855.43 C ATOM 33887 O4* A B1634 -857.968 -60.271 128.777 1.00855.43 O ATOM 33888 C3* A B1634 -857.088 -58.190 127.998 1.00855.43 C ATOM 33889 O3* A B1634 -856.160 -57.187 128.414 1.00855.43 O ATOM 33890 C2* A B1634 -856.484 -59.315 127.155 1.00855.43 C ATOM 33891 O2* A B1634 -855.140 -59.625 127.452 1.00855.43 O ATOM 33892 C1* A B1634 -857.379 -60.506 127.513 1.00855.43 C ATOM 33893 N9 A B1634 -858.431 -60.829 126.551 1.00855.43 N ATOM 33894 C8 A B1634 -859.692 -60.292 126.445 1.00855.43 C ATOM 33895 N7 A B1634 -860.415 -60.826 125.491 1.00855.43 N ATOM 33896 C5 A B1634 -859.571 -61.775 124.925 1.00855.43 C ATOM 33897 C6 A B1634 -859.744 -62.684 123.869 1.00855.43 C ATOM 33898 N6 A B1634 -860.874 -62.799 123.163 1.00855.43 N ATOM 33899 N1 A B1634 -858.705 -63.487 123.552 1.00855.43 N ATOM 33900 C2 A B1634 -857.574 -63.376 124.260 1.00855.43 C ATOM 33901 N3 A B1634 -857.293 -62.563 125.275 1.00855.43 N ATOM 33902 C4 A B1634 -858.346 -61.779 125.561 1.00855.43 C ATOM 33903 P G B1635 -856.511 -55.629 128.202 1.00855.43 P ATOM 33904 O1P G B1635 -857.399 -55.158 129.293 1.00855.43 O ATOM 33905 O2P G B1635 -856.946 -55.468 126.788 1.00855.43 O ATOM 33906 O5* G B1635 -855.113 -54.897 128.359 1.00855.43 O ATOM 33907 C5* G B1635 -854.056 -55.124 127.432 1.00855.43 C ATOM 33908 C4* G B1635 -853.610 -53.814 126.844 1.00855.43 C ATOM 33909 O4* G B1635 -854.642 -53.307 125.959 1.00855.43 O ATOM 33910 C3* G B1635 -853.411 -52.707 127.858 1.00855.43 C ATOM 33911 O3* G B1635 -852.137 -52.808 128.474 1.00855.43 O ATOM 33912 C2* G B1635 -853.618 -51.445 127.033 1.00855.43 C ATOM 33913 O2* G B1635 -852.471 -51.038 126.327 1.00855.43 O ATOM 33914 C1* G B1635 -854.692 -51.893 126.044 1.00855.43 C ATOM 33915 N9 G B1635 -856.016 -51.514 126.514 1.00855.43 N ATOM 33916 C8 G B1635 -856.919 -52.284 127.208 1.00855.43 C ATOM 33917 N7 G B1635 -858.004 -51.634 127.526 1.00855.43 N ATOM 33918 C5 G B1635 -857.812 -50.365 126.998 1.00855.43 C ATOM 33919 C6 G B1635 -858.647 -49.219 127.027 1.00855.43 C ATOM 33920 O6 G B1635 -859.760 -49.093 127.549 1.00855.43 O ATOM 33921 N1 G B1635 -858.060 -48.144 126.365 1.00855.43 N ATOM 33922 C2 G B1635 -856.828 -48.167 125.758 1.00855.43 C ATOM 33923 N2 G B1635 -856.426 -47.034 125.175 1.00855.43 N ATOM 33924 N3 G B1635 -856.044 -49.227 125.727 1.00855.43 N ATOM 33925 C4 G B1635 -856.594 -50.281 126.362 1.00855.43 C ATOM 33926 P G B1636 -851.970 -52.382 130.014 1.00855.43 P ATOM 33927 O1P G B1636 -850.697 -52.953 130.517 1.00855.43 O ATOM 33928 O2P G B1636 -853.244 -52.688 130.718 1.00855.43 O ATOM 33929 O5* G B1636 -851.822 -50.802 129.942 1.00855.43 O ATOM 33930 C5* G B1636 -851.026 -50.197 128.928 1.00855.43 C ATOM 33931 C4* G B1636 -851.459 -48.773 128.716 1.00855.43 C ATOM 33932 O4* G B1636 -852.809 -48.727 128.186 1.00855.43 O ATOM 33933 C3* G B1636 -851.483 -47.935 129.984 1.00855.43 C ATOM 33934 O3* G B1636 -850.201 -47.376 130.225 1.00855.43 O ATOM 33935 C2* G B1636 -852.524 -46.873 129.667 1.00855.43 C ATOM 33936 O2* G B1636 -851.965 -45.794 128.956 1.00855.43 O ATOM 33937 C1* G B1636 -853.501 -47.637 128.767 1.00855.43 C ATOM 33938 N9 G B1636 -854.669 -48.140 129.479 1.00855.43 N ATOM 33939 C8 G B1636 -855.022 -49.447 129.707 1.00855.43 C ATOM 33940 N7 G B1636 -856.146 -49.569 130.367 1.00855.43 N ATOM 33941 C5 G B1636 -856.552 -48.262 130.591 1.00855.43 C ATOM 33942 C6 G B1636 -857.697 -47.752 131.262 1.00855.43 C ATOM 33943 O6 G B1636 -858.619 -48.379 131.803 1.00855.43 O ATOM 33944 N1 G B1636 -857.709 -46.360 131.265 1.00855.43 N ATOM 33945 C2 G B1636 -856.746 -45.561 130.698 1.00855.43 C ATOM 33946 N2 G B1636 -856.919 -44.239 130.813 1.00855.43 N ATOM 33947 N3 G B1636 -855.681 -46.023 130.068 1.00855.43 N ATOM 33948 C4 G B1636 -855.648 -47.369 130.053 1.00855.43 C ATOM 33949 P U B1637 -849.098 -48.238 131.007 1.00855.43 P ATOM 33950 O1P U B1637 -848.068 -48.651 130.019 1.00855.43 O ATOM 33951 O2P U B1637 -849.804 -49.275 131.804 1.00855.43 O ATOM 33952 O5* U B1637 -848.446 -47.192 132.010 1.00855.43 O ATOM 33953 C5* U B1637 -847.312 -46.419 131.621 1.00855.43 C ATOM 33954 C4* U B1637 -847.554 -44.959 131.911 1.00855.43 C ATOM 33955 O4* U B1637 -848.708 -44.482 131.172 1.00855.43 O ATOM 33956 C3* U B1637 -847.891 -44.594 133.338 1.00855.43 C ATOM 33957 O3* U B1637 -846.721 -44.570 134.134 1.00855.43 O ATOM 33958 C2* U B1637 -848.562 -43.234 133.199 1.00855.43 C ATOM 33959 O2* U B1637 -847.633 -42.176 133.108 1.00855.43 O ATOM 33960 C1* U B1637 -849.297 -43.392 131.867 1.00855.43 C ATOM 33961 N1 U B1637 -850.723 -43.694 132.064 1.00855.43 N ATOM 33962 C2 U B1637 -851.633 -42.692 131.793 1.00855.43 C ATOM 33963 O2 U B1637 -851.305 -41.588 131.396 1.00855.43 O ATOM 33964 N3 U B1637 -852.944 -43.034 132.008 1.00855.43 N ATOM 33965 C4 U B1637 -853.424 -44.250 132.451 1.00855.43 C ATOM 33966 O4 U B1637 -854.639 -44.426 132.518 1.00855.43 O ATOM 33967 C5 U B1637 -852.418 -45.230 132.712 1.00855.43 C ATOM 33968 C6 U B1637 -851.134 -44.927 132.510 1.00855.43 C ATOM 33969 P G B1638 -846.858 -44.738 135.724 1.00855.43 P ATOM 33970 O1P G B1638 -845.529 -45.170 136.229 1.00855.43 O ATOM 33971 O2P G B1638 -848.057 -45.562 136.017 1.00855.43 O ATOM 33972 O5* G B1638 -847.118 -43.257 136.243 1.00855.43 O ATOM 33973 C5* G B1638 -846.225 -42.209 135.903 1.00855.43 C ATOM 33974 C4* G B1638 -846.473 -41.009 136.780 1.00855.43 C ATOM 33975 O4* G B1638 -847.785 -40.453 136.501 1.00855.43 O ATOM 33976 C3* G B1638 -846.484 -41.286 138.273 1.00855.43 C ATOM 33977 O3* G B1638 -845.184 -41.346 138.835 1.00855.43 O ATOM 33978 C2* G B1638 -847.316 -40.131 138.816 1.00855.43 C ATOM 33979 O2* G B1638 -846.561 -38.946 138.967 1.00855.43 O ATOM 33980 C1* G B1638 -848.348 -39.944 137.699 1.00855.43 C ATOM 33981 N9 G B1638 -849.584 -40.663 137.987 1.00855.43 N ATOM 33982 C8 G B1638 -850.124 -41.726 137.304 1.00855.43 C ATOM 33983 N7 G B1638 -851.233 -42.167 137.834 1.00855.43 N ATOM 33984 C5 G B1638 -851.445 -41.340 138.933 1.00855.43 C ATOM 33985 C6 G B1638 -852.488 -41.330 139.905 1.00855.43 C ATOM 33986 O6 G B1638 -853.472 -42.077 139.998 1.00855.43 O ATOM 33987 N1 G B1638 -852.302 -40.318 140.839 1.00855.43 N ATOM 33988 C2 G B1638 -851.255 -39.431 140.849 1.00855.43 C ATOM 33989 N2 G B1638 -851.256 -38.524 141.836 1.00855.43 N ATOM 33990 N3 G B1638 -850.279 -39.430 139.956 1.00855.43 N ATOM 33991 C4 G B1638 -850.437 -40.402 139.038 1.00855.43 C ATOM 33992 P U B1639 -844.933 -42.235 140.148 1.00855.43 P ATOM 33993 O1P U B1639 -843.481 -42.191 140.454 1.00855.43 O ATOM 33994 O2P U B1639 -845.601 -43.550 139.955 1.00855.43 O ATOM 33995 O5* U B1639 -845.709 -41.448 141.296 1.00855.43 O ATOM 33996 C5* U B1639 -845.325 -40.123 141.642 1.00855.43 C ATOM 33997 C4* U B1639 -846.207 -39.580 142.738 1.00855.43 C ATOM 33998 O4* U B1639 -847.569 -39.433 142.257 1.00855.43 O ATOM 33999 C3* U B1639 -846.318 -40.477 143.957 1.00855.43 C ATOM 34000 O3* U B1639 -845.247 -40.275 144.868 1.00855.43 O ATOM 34001 C2* U B1639 -847.656 -40.054 144.554 1.00855.43 C ATOM 34002 O2* U B1639 -847.555 -38.884 145.341 1.00855.43 O ATOM 34003 C1* U B1639 -848.476 -39.753 143.299 1.00855.43 C ATOM 34004 N1 U B1639 -849.275 -40.921 142.903 1.00855.43 N ATOM 34005 C2 U B1639 -850.371 -41.237 143.682 1.00855.43 C ATOM 34006 O2 U B1639 -850.721 -40.561 144.636 1.00855.43 O ATOM 34007 N3 U B1639 -851.042 -42.374 143.305 1.00855.43 N ATOM 34008 C4 U B1639 -850.742 -43.201 142.246 1.00855.43 C ATOM 34009 O4 U B1639 -851.414 -44.219 142.063 1.00855.43 O ATOM 34010 C5 U B1639 -849.609 -42.791 141.470 1.00855.43 C ATOM 34011 C6 U B1639 -848.934 -41.690 141.814 1.00855.43 C ATOM 34012 P C B1640 -844.403 -41.543 145.380 1.00855.43 P ATOM 34013 O1P C B1640 -843.011 -41.099 145.640 1.00855.43 O ATOM 34014 O2P C B1640 -844.651 -42.671 144.443 1.00855.43 O ATOM 34015 O5* C B1640 -845.074 -41.906 146.776 1.00855.43 O ATOM 34016 C5* C B1640 -844.896 -41.060 147.908 1.00855.43 C ATOM 34017 C4* C B1640 -845.961 -41.337 148.939 1.00855.43 C ATOM 34018 O4* C B1640 -847.273 -41.059 148.372 1.00855.43 O ATOM 34019 C3* C B1640 -846.052 -42.778 149.405 1.00855.43 C ATOM 34020 O3* C B1640 -845.109 -43.046 150.432 1.00855.43 O ATOM 34021 C2* C B1640 -847.495 -42.883 149.884 1.00855.43 C ATOM 34022 O2* C B1640 -847.669 -42.383 151.192 1.00855.43 O ATOM 34023 C1* C B1640 -848.218 -41.986 148.883 1.00855.43 C ATOM 34024 N1 C B1640 -848.760 -42.759 147.755 1.00855.43 N ATOM 34025 C2 C B1640 -849.984 -43.415 147.911 1.00855.43 C ATOM 34026 O2 C B1640 -850.593 -43.307 148.984 1.00855.43 O ATOM 34027 N3 C B1640 -850.479 -44.151 146.887 1.00855.43 N ATOM 34028 C4 C B1640 -849.795 -44.242 145.744 1.00855.43 C ATOM 34029 N4 C B1640 -850.315 -44.990 144.765 1.00855.43 N ATOM 34030 C5 C B1640 -848.551 -43.573 145.553 1.00855.43 C ATOM 34031 C6 C B1640 -848.075 -42.849 146.572 1.00855.43 C ATOM 34032 P C B1641 -844.084 -44.272 150.261 1.00855.43 P ATOM 34033 O1P C B1641 -842.769 -43.833 150.781 1.00855.43 O ATOM 34034 O2P C B1641 -844.191 -44.772 148.866 1.00855.43 O ATOM 34035 O5* C B1641 -844.667 -45.385 151.240 1.00855.43 O ATOM 34036 C5* C B1641 -845.033 -45.048 152.572 1.00855.43 C ATOM 34037 C4* C B1641 -846.141 -45.948 153.068 1.00855.43 C ATOM 34038 O4* C B1641 -847.241 -45.961 152.124 1.00855.43 O ATOM 34039 C3* C B1641 -845.768 -47.409 153.288 1.00855.43 C ATOM 34040 O3* C B1641 -845.202 -47.606 154.578 1.00855.43 O ATOM 34041 C2* C B1641 -847.122 -48.107 153.171 1.00855.43 C ATOM 34042 O2* C B1641 -847.855 -48.081 154.378 1.00855.43 O ATOM 34043 C1* C B1641 -847.841 -47.245 152.128 1.00855.43 C ATOM 34044 N1 C B1641 -847.804 -47.811 150.771 1.00855.43 N ATOM 34045 C2 C B1641 -848.544 -48.972 150.520 1.00855.43 C ATOM 34046 O2 C B1641 -849.193 -49.476 151.449 1.00855.43 O ATOM 34047 N3 C B1641 -848.530 -49.511 149.278 1.00855.43 N ATOM 34048 C4 C B1641 -847.815 -48.933 148.308 1.00855.43 C ATOM 34049 N4 C B1641 -847.830 -49.499 147.098 1.00855.43 N ATOM 34050 C5 C B1641 -847.054 -47.749 148.536 1.00855.43 C ATOM 34051 C6 C B1641 -847.076 -47.227 149.770 1.00855.43 C ATOM 34052 P G B1642 -844.132 -48.786 154.804 1.00855.43 P ATOM 34053 O1P G B1642 -844.300 -49.280 156.193 1.00855.43 O ATOM 34054 O2P G B1642 -842.802 -48.296 154.354 1.00855.43 O ATOM 34055 O5* G B1642 -844.604 -49.934 153.805 1.00855.43 O ATOM 34056 C5* G B1642 -845.644 -50.842 154.160 1.00855.43 C ATOM 34057 C4* G B1642 -846.107 -51.607 152.943 1.00855.43 C ATOM 34058 O4* G B1642 -846.389 -50.672 151.870 1.00855.43 O ATOM 34059 C3* G B1642 -845.076 -52.563 152.368 1.00855.43 C ATOM 34060 O3* G B1642 -845.174 -53.818 153.028 1.00855.43 O ATOM 34061 C2* G B1642 -845.469 -52.643 150.897 1.00855.43 C ATOM 34062 O2* G B1642 -846.511 -53.568 150.664 1.00855.43 O ATOM 34063 C1* G B1642 -845.972 -51.224 150.634 1.00855.43 C ATOM 34064 N9 G B1642 -844.941 -50.347 150.091 1.00855.43 N ATOM 34065 C8 G B1642 -844.084 -49.547 150.804 1.00855.43 C ATOM 34066 N7 G B1642 -843.267 -48.868 150.046 1.00855.43 N ATOM 34067 C5 G B1642 -843.602 -49.242 148.755 1.00855.43 C ATOM 34068 C6 G B1642 -843.063 -48.836 147.512 1.00855.43 C ATOM 34069 O6 G B1642 -842.145 -48.032 147.293 1.00855.43 O ATOM 34070 N1 G B1642 -843.701 -49.463 146.446 1.00855.43 N ATOM 34071 C2 G B1642 -844.727 -50.366 146.563 1.00855.43 C ATOM 34072 N2 G B1642 -845.213 -50.860 145.415 1.00855.43 N ATOM 34073 N3 G B1642 -845.242 -50.758 147.717 1.00855.43 N ATOM 34074 C4 G B1642 -844.636 -50.159 148.766 1.00855.43 C ATOM 34075 P A B1643 -844.059 -54.241 154.099 1.00855.43 P ATOM 34076 O1P A B1643 -843.612 -53.012 154.801 1.00855.43 O ATOM 34077 O2P A B1643 -843.062 -55.105 153.419 1.00855.43 O ATOM 34078 O5* A B1643 -844.867 -55.141 155.130 1.00855.43 O ATOM 34079 C5* A B1643 -845.134 -54.681 156.452 1.00855.43 C ATOM 34080 C4* A B1643 -845.427 -55.855 157.353 1.00855.43 C ATOM 34081 O4* A B1643 -846.812 -56.254 157.210 1.00855.43 O ATOM 34082 C3* A B1643 -844.651 -57.113 157.041 1.00855.43 C ATOM 34083 O3* A B1643 -843.342 -57.044 157.590 1.00855.43 O ATOM 34084 C2* A B1643 -845.524 -58.209 157.638 1.00855.43 C ATOM 34085 O2* A B1643 -845.322 -58.376 159.028 1.00855.43 O ATOM 34086 C1* A B1643 -846.927 -57.659 157.378 1.00855.43 C ATOM 34087 N9 A B1643 -847.521 -58.197 156.153 1.00855.43 N ATOM 34088 C8 A B1643 -847.451 -57.653 154.895 1.00855.43 C ATOM 34089 N7 A B1643 -848.061 -58.362 153.979 1.00855.43 N ATOM 34090 C5 A B1643 -848.572 -59.445 154.680 1.00855.43 C ATOM 34091 C6 A B1643 -849.321 -60.560 154.276 1.00855.43 C ATOM 34092 N6 A B1643 -849.697 -60.783 153.014 1.00855.43 N ATOM 34093 N1 A B1643 -849.674 -61.456 155.224 1.00855.43 N ATOM 34094 C2 A B1643 -849.293 -61.236 156.487 1.00855.43 C ATOM 34095 N3 A B1643 -848.582 -60.228 156.989 1.00855.43 N ATOM 34096 C4 A B1643 -848.249 -59.355 156.021 1.00855.43 C ATOM 34097 P G B1644 -842.103 -57.603 156.737 1.00855.43 P ATOM 34098 O1P G B1644 -840.854 -57.118 157.381 1.00855.43 O ATOM 34099 O2P G B1644 -842.354 -57.310 155.306 1.00855.43 O ATOM 34100 O5* G B1644 -842.192 -59.177 156.945 1.00855.43 O ATOM 34101 C5* G B1644 -842.394 -59.729 158.240 1.00855.43 C ATOM 34102 C4* G B1644 -842.925 -61.133 158.126 1.00855.43 C ATOM 34103 O4* G B1644 -844.258 -61.119 157.559 1.00855.43 O ATOM 34104 C3* G B1644 -842.148 -62.047 157.215 1.00855.43 C ATOM 34105 O3* G B1644 -841.033 -62.566 157.932 1.00855.43 O ATOM 34106 C2* G B1644 -843.173 -63.111 156.835 1.00855.43 C ATOM 34107 O2* G B1644 -843.291 -64.123 157.815 1.00855.43 O ATOM 34108 C1* G B1644 -844.467 -62.294 156.798 1.00855.43 C ATOM 34109 N9 G B1644 -844.863 -61.897 155.451 1.00855.43 N ATOM 34110 C8 G B1644 -845.147 -60.629 155.016 1.00855.43 C ATOM 34111 N7 G B1644 -845.477 -60.578 153.752 1.00855.43 N ATOM 34112 C5 G B1644 -845.410 -61.897 153.328 1.00855.43 C ATOM 34113 C6 G B1644 -845.669 -62.469 152.052 1.00855.43 C ATOM 34114 O6 G B1644 -846.016 -61.904 151.007 1.00855.43 O ATOM 34115 N1 G B1644 -845.479 -63.847 152.059 1.00855.43 N ATOM 34116 C2 G B1644 -845.097 -64.585 153.152 1.00855.43 C ATOM 34117 N2 G B1644 -844.972 -65.906 152.950 1.00855.43 N ATOM 34118 N3 G B1644 -844.857 -64.069 154.347 1.00855.43 N ATOM 34119 C4 G B1644 -845.034 -62.727 154.363 1.00855.43 C ATOM 34120 P U B1645 -839.555 -62.054 157.574 1.00855.43 P ATOM 34121 O1P U B1645 -839.239 -60.914 158.475 1.00855.43 O ATOM 34122 O2P U B1645 -839.457 -61.874 156.104 1.00855.43 O ATOM 34123 O5* U B1645 -838.634 -63.283 157.990 1.00855.43 O ATOM 34124 C5* U B1645 -838.868 -63.980 159.208 1.00855.43 C ATOM 34125 C4* U B1645 -839.523 -65.308 158.931 1.00855.43 C ATOM 34126 O4* U B1645 -840.773 -65.116 158.221 1.00855.43 O ATOM 34127 C3* U B1645 -838.713 -66.235 158.047 1.00855.43 C ATOM 34128 O3* U B1645 -837.760 -66.948 158.823 1.00855.43 O ATOM 34129 C2* U B1645 -839.780 -67.134 157.431 1.00855.43 C ATOM 34130 O2* U B1645 -840.143 -68.208 158.274 1.00855.43 O ATOM 34131 C1* U B1645 -840.962 -66.171 157.296 1.00855.43 C ATOM 34132 N1 U B1645 -841.096 -65.588 155.948 1.00855.43 N ATOM 34133 C2 U B1645 -842.182 -65.980 155.189 1.00855.43 C ATOM 34134 O2 U B1645 -843.019 -66.770 155.585 1.00855.43 O ATOM 34135 N3 U B1645 -842.257 -65.405 153.944 1.00855.43 N ATOM 34136 C4 U B1645 -841.373 -64.499 153.394 1.00855.43 C ATOM 34137 O4 U B1645 -841.577 -64.066 152.260 1.00855.43 O ATOM 34138 C5 U B1645 -840.276 -64.147 154.246 1.00855.43 C ATOM 34139 C6 U B1645 -840.175 -64.692 155.461 1.00855.43 C ATOM 34140 P G B1646 -836.204 -66.857 158.442 1.00855.43 P ATOM 34141 O1P G B1646 -835.468 -67.785 159.340 1.00855.43 O ATOM 34142 O2P G B1646 -835.820 -65.422 158.393 1.00855.43 O ATOM 34143 O5* G B1646 -836.148 -67.442 156.963 1.00855.43 O ATOM 34144 C5* G B1646 -836.444 -68.813 156.720 1.00855.43 C ATOM 34145 C4* G B1646 -836.497 -69.080 155.237 1.00855.43 C ATOM 34146 O4* G B1646 -837.490 -68.228 154.607 1.00855.43 O ATOM 34147 C3* G B1646 -835.282 -68.769 154.371 1.00855.43 C ATOM 34148 O3* G B1646 -834.312 -69.802 154.492 1.00855.43 O ATOM 34149 C2* G B1646 -835.825 -68.638 152.951 1.00855.43 C ATOM 34150 O2* G B1646 -835.824 -69.869 152.257 1.00855.43 O ATOM 34151 C1* G B1646 -837.266 -68.195 153.207 1.00855.43 C ATOM 34152 N9 G B1646 -837.527 -66.842 152.725 1.00855.43 N ATOM 34153 C8 G B1646 -837.336 -65.662 153.404 1.00855.43 C ATOM 34154 N7 G B1646 -837.650 -64.608 152.701 1.00855.43 N ATOM 34155 C5 G B1646 -838.078 -65.121 151.484 1.00855.43 C ATOM 34156 C6 G B1646 -838.545 -64.457 150.314 1.00855.43 C ATOM 34157 O6 G B1646 -838.677 -63.241 150.112 1.00855.43 O ATOM 34158 N1 G B1646 -838.877 -65.363 149.311 1.00855.43 N ATOM 34159 C2 G B1646 -838.772 -66.727 149.415 1.00855.43 C ATOM 34160 N2 G B1646 -839.144 -67.431 148.336 1.00855.43 N ATOM 34161 N3 G B1646 -838.341 -67.359 150.495 1.00855.43 N ATOM 34162 C4 G B1646 -838.013 -66.500 151.485 1.00855.43 C ATOM 34163 P U B1647 -832.763 -69.464 154.236 1.00855.43 P ATOM 34164 O1P U B1647 -832.064 -70.746 153.965 1.00855.43 O ATOM 34165 O2P U B1647 -832.290 -68.588 155.339 1.00855.43 O ATOM 34166 O5* U B1647 -832.779 -68.614 152.892 1.00855.43 O ATOM 34167 C5* U B1647 -832.717 -69.257 151.623 1.00855.43 C ATOM 34168 C4* U B1647 -832.602 -68.236 150.517 1.00855.43 C ATOM 34169 O4* U B1647 -833.713 -67.307 150.594 1.00855.43 O ATOM 34170 C3* U B1647 -831.396 -67.332 150.519 1.00855.43 C ATOM 34171 O3* U B1647 -830.289 -68.014 149.947 1.00855.43 O ATOM 34172 C2* U B1647 -831.847 -66.144 149.676 1.00855.43 C ATOM 34173 O2* U B1647 -831.702 -66.378 148.291 1.00855.43 O ATOM 34174 C1* U B1647 -833.334 -66.062 150.030 1.00855.43 C ATOM 34175 N1 U B1647 -833.600 -65.007 151.017 1.00855.43 N ATOM 34176 C2 U B1647 -834.275 -63.881 150.585 1.00855.43 C ATOM 34177 O2 U B1647 -834.673 -63.746 149.440 1.00855.43 O ATOM 34178 N3 U B1647 -834.465 -62.919 151.544 1.00855.43 N ATOM 34179 C4 U B1647 -834.062 -62.967 152.863 1.00855.43 C ATOM 34180 O4 U B1647 -834.283 -62.005 153.600 1.00855.43 O ATOM 34181 C5 U B1647 -833.384 -64.169 153.234 1.00855.43 C ATOM 34182 C6 U B1647 -833.182 -65.125 152.322 1.00855.43 C ATOM 34183 P C B1648 -828.795 -67.575 150.346 1.00855.43 P ATOM 34184 O1P C B1648 -827.887 -68.038 149.267 1.00855.43 O ATOM 34185 O2P C B1648 -828.549 -68.001 151.744 1.00855.43 O ATOM 34186 O5* C B1648 -828.829 -65.982 150.318 1.00855.43 O ATOM 34187 C5* C B1648 -827.853 -65.246 149.588 1.00855.43 C ATOM 34188 C4* C B1648 -827.393 -64.046 150.385 1.00855.43 C ATOM 34189 O4* C B1648 -826.152 -63.559 149.819 1.00855.43 O ATOM 34190 C3* C B1648 -828.311 -62.845 150.392 1.00855.43 C ATOM 34191 O3* C B1648 -829.290 -62.970 151.418 1.00855.43 O ATOM 34192 C2* C B1648 -827.359 -61.682 150.662 1.00855.43 C ATOM 34193 O2* C B1648 -827.110 -61.493 152.038 1.00855.43 O ATOM 34194 C1* C B1648 -826.077 -62.154 149.973 1.00855.43 C ATOM 34195 N1 C B1648 -825.862 -61.569 148.642 1.00855.43 N ATOM 34196 C2 C B1648 -824.756 -60.736 148.435 1.00855.43 C ATOM 34197 O2 C B1648 -823.996 -60.508 149.386 1.00855.43 O ATOM 34198 N3 C B1648 -824.548 -60.205 147.207 1.00855.43 N ATOM 34199 C4 C B1648 -825.396 -60.475 146.213 1.00855.43 C ATOM 34200 N4 C B1648 -825.149 -59.934 145.017 1.00855.43 N ATOM 34201 C5 C B1648 -826.534 -61.313 146.397 1.00855.43 C ATOM 34202 C6 C B1648 -826.727 -61.831 147.614 1.00855.43 C ATOM 34203 P A B1649 -830.651 -62.115 151.332 1.00855.43 P ATOM 34204 O1P A B1649 -831.130 -61.897 152.722 1.00855.43 O ATOM 34205 O2P A B1649 -831.544 -62.765 150.343 1.00855.43 O ATOM 34206 O5* A B1649 -830.194 -60.708 150.742 1.00855.43 O ATOM 34207 C5* A B1649 -830.279 -59.515 151.519 1.00855.43 C ATOM 34208 C4* A B1649 -830.709 -58.365 150.638 1.00855.43 C ATOM 34209 O4* A B1649 -829.808 -58.280 149.508 1.00855.43 O ATOM 34210 C3* A B1649 -832.084 -58.554 150.028 1.00855.43 C ATOM 34211 O3* A B1649 -833.099 -58.094 150.910 1.00855.43 O ATOM 34212 C2* A B1649 -831.999 -57.754 148.738 1.00855.43 C ATOM 34213 O2* A B1649 -832.244 -56.376 148.937 1.00855.43 O ATOM 34214 C1* A B1649 -830.534 -57.961 148.335 1.00855.43 C ATOM 34215 N9 A B1649 -830.331 -59.061 147.394 1.00855.43 N ATOM 34216 C8 A B1649 -829.893 -60.327 147.698 1.00855.43 C ATOM 34217 N7 A B1649 -829.789 -61.119 146.661 1.00855.43 N ATOM 34218 C5 A B1649 -830.190 -60.325 145.596 1.00855.43 C ATOM 34219 C6 A B1649 -830.306 -60.578 144.222 1.00855.43 C ATOM 34220 N6 A B1649 -830.006 -61.751 143.656 1.00855.43 N ATOM 34221 N1 A B1649 -830.742 -59.575 143.432 1.00855.43 N ATOM 34222 C2 A B1649 -831.035 -58.399 143.995 1.00855.43 C ATOM 34223 N3 A B1649 -830.965 -58.035 145.274 1.00855.43 N ATOM 34224 C4 A B1649 -830.533 -59.055 146.035 1.00855.43 C ATOM 34225 P A B1650 -834.487 -58.901 151.022 1.00855.43 P ATOM 34226 O1P A B1650 -835.439 -58.051 151.782 1.00855.43 O ATOM 34227 O2P A B1650 -834.191 -60.276 151.497 1.00855.43 O ATOM 34228 O5* A B1650 -835.001 -58.991 149.517 1.00855.43 O ATOM 34229 C5* A B1650 -835.347 -57.815 148.789 1.00855.43 C ATOM 34230 C4* A B1650 -835.414 -58.127 147.315 1.00855.43 C ATOM 34231 O4* A B1650 -834.138 -58.655 146.874 1.00855.43 O ATOM 34232 C3* A B1650 -836.406 -59.179 146.875 1.00855.43 C ATOM 34233 O3* A B1650 -837.689 -58.570 146.769 1.00855.43 O ATOM 34234 C2* A B1650 -835.845 -59.656 145.542 1.00855.43 C ATOM 34235 O2* A B1650 -836.223 -58.829 144.462 1.00855.43 O ATOM 34236 C1* A B1650 -834.333 -59.531 145.778 1.00855.43 C ATOM 34237 N9 A B1650 -833.693 -60.803 146.111 1.00855.43 N ATOM 34238 C8 A B1650 -833.383 -61.269 147.365 1.00855.43 C ATOM 34239 N7 A B1650 -832.799 -62.443 147.365 1.00855.43 N ATOM 34240 C5 A B1650 -832.723 -62.775 146.022 1.00855.43 C ATOM 34241 C6 A B1650 -832.207 -63.897 145.353 1.00855.43 C ATOM 34242 N6 A B1650 -831.648 -64.937 145.982 1.00855.43 N ATOM 34243 N1 A B1650 -832.286 -63.921 144.005 1.00855.43 N ATOM 34244 C2 A B1650 -832.844 -62.878 143.381 1.00855.43 C ATOM 34245 N3 A B1650 -833.364 -61.764 143.896 1.00855.43 N ATOM 34246 C4 A B1650 -833.271 -61.775 145.239 1.00855.43 C ATOM 34247 P U B1651 -839.014 -59.475 146.846 1.00855.43 P ATOM 34248 O1P U B1651 -839.027 -60.138 148.176 1.00855.43 O ATOM 34249 O2P U B1651 -839.089 -60.305 145.614 1.00855.43 O ATOM 34250 O5* U B1651 -840.192 -58.408 146.812 1.00855.43 O ATOM 34251 C5* U B1651 -841.332 -58.583 145.976 1.00855.43 C ATOM 34252 C4* U B1651 -841.426 -57.446 144.987 1.00855.43 C ATOM 34253 O4* U B1651 -841.182 -56.199 145.677 1.00855.43 O ATOM 34254 C3* U B1651 -840.409 -57.523 143.849 1.00855.43 C ATOM 34255 O3* U B1651 -840.975 -58.204 142.724 1.00855.43 O ATOM 34256 C2* U B1651 -840.182 -56.051 143.501 1.00855.43 C ATOM 34257 O2* U B1651 -841.106 -55.568 142.546 1.00855.43 O ATOM 34258 C1* U B1651 -840.433 -55.346 144.839 1.00855.43 C ATOM 34259 N1 U B1651 -839.262 -54.852 145.580 1.00855.43 N ATOM 34260 C2 U B1651 -838.699 -53.662 145.164 1.00855.43 C ATOM 34261 O2 U B1651 -839.113 -53.039 144.202 1.00855.43 O ATOM 34262 N3 U B1651 -837.640 -53.226 145.918 1.00855.43 N ATOM 34263 C4 U B1651 -837.089 -53.848 147.018 1.00855.43 C ATOM 34264 O4 U B1651 -836.156 -53.306 147.618 1.00855.43 O ATOM 34265 C5 U B1651 -837.713 -55.087 147.377 1.00855.43 C ATOM 34266 C6 U B1651 -838.750 -55.539 146.661 1.00855.43 C ATOM 34267 P G B1652 -841.007 -59.815 142.693 1.00855.43 P ATOM 34268 O1P G B1652 -842.257 -60.234 143.382 1.00855.43 O ATOM 34269 O2P G B1652 -839.701 -60.339 143.163 1.00855.43 O ATOM 34270 O5* G B1652 -841.167 -60.194 141.155 1.00855.43 O ATOM 34271 C5* G B1652 -840.133 -59.932 140.215 1.00855.43 C ATOM 34272 C4* G B1652 -839.496 -61.229 139.775 1.00855.43 C ATOM 34273 O4* G B1652 -838.128 -61.313 140.243 1.00855.43 O ATOM 34274 C3* G B1652 -840.148 -62.518 140.267 1.00855.43 C ATOM 34275 O3* G B1652 -841.285 -62.879 139.489 1.00855.43 O ATOM 34276 C2* G B1652 -839.012 -63.533 140.155 1.00855.43 C ATOM 34277 O2* G B1652 -838.902 -64.092 138.864 1.00855.43 O ATOM 34278 C1* G B1652 -837.777 -62.667 140.442 1.00855.43 C ATOM 34279 N9 G B1652 -837.216 -62.814 141.783 1.00855.43 N ATOM 34280 C8 G B1652 -837.116 -61.844 142.749 1.00855.43 C ATOM 34281 N7 G B1652 -836.544 -62.265 143.843 1.00855.43 N ATOM 34282 C5 G B1652 -836.253 -63.598 143.586 1.00855.43 C ATOM 34283 C6 G B1652 -835.628 -64.574 144.404 1.00855.43 C ATOM 34284 O6 G B1652 -835.188 -64.452 145.552 1.00855.43 O ATOM 34285 N1 G B1652 -835.532 -65.798 143.751 1.00855.43 N ATOM 34286 C2 G B1652 -835.979 -66.055 142.478 1.00855.43 C ATOM 34287 N2 G B1652 -835.800 -67.304 142.028 1.00855.43 N ATOM 34288 N3 G B1652 -836.562 -65.153 141.706 1.00855.43 N ATOM 34289 C4 G B1652 -836.666 -63.955 142.321 1.00855.43 C ATOM 34290 P C B1653 -842.592 -63.467 140.214 1.00855.43 P ATOM 34291 O1P C B1653 -843.511 -63.938 139.145 1.00855.43 O ATOM 34292 O2P C B1653 -843.069 -62.470 141.205 1.00855.43 O ATOM 34293 O5* C B1653 -842.054 -64.742 141.001 1.00855.43 O ATOM 34294 C5* C B1653 -841.496 -65.845 140.293 1.00855.43 C ATOM 34295 C4* C B1653 -840.823 -66.802 141.247 1.00855.43 C ATOM 34296 O4* C B1653 -839.668 -66.167 141.853 1.00855.43 O ATOM 34297 C3* C B1653 -841.656 -67.267 142.425 1.00855.43 C ATOM 34298 O3* C B1653 -842.490 -68.357 142.053 1.00855.43 O ATOM 34299 C2* C B1653 -840.599 -67.684 143.444 1.00855.43 C ATOM 34300 O2* C B1653 -840.135 -69.003 143.234 1.00855.43 O ATOM 34301 C1* C B1653 -839.464 -66.699 143.150 1.00855.43 C ATOM 34302 N1 C B1653 -839.364 -65.595 144.117 1.00855.43 N ATOM 34303 C2 C B1653 -838.717 -65.834 145.336 1.00855.43 C ATOM 34304 O2 C B1653 -838.255 -66.960 145.552 1.00855.43 O ATOM 34305 N3 C B1653 -838.610 -64.835 146.241 1.00855.43 N ATOM 34306 C4 C B1653 -839.120 -63.633 145.969 1.00855.43 C ATOM 34307 N4 C B1653 -838.987 -62.677 146.894 1.00855.43 N ATOM 34308 C5 C B1653 -839.787 -63.359 144.738 1.00855.43 C ATOM 34309 C6 C B1653 -839.887 -64.360 143.849 1.00855.43 C ATOM 34310 P A B1654 -844.088 -68.216 142.173 1.00855.43 P ATOM 34311 O1P A B1654 -844.684 -69.031 141.082 1.00855.43 O ATOM 34312 O2P A B1654 -844.427 -66.776 142.279 1.00855.43 O ATOM 34313 O5* A B1654 -844.435 -68.920 143.559 1.00855.43 O ATOM 34314 C5* A B1654 -844.412 -70.337 143.673 1.00855.43 C ATOM 34315 C4* A B1654 -844.829 -70.761 145.063 1.00855.43 C ATOM 34316 O4* A B1654 -843.865 -70.287 146.038 1.00855.43 O ATOM 34317 C3* A B1654 -846.145 -70.257 145.622 1.00855.43 C ATOM 34318 O3* A B1654 -847.248 -70.976 145.089 1.00855.43 O ATOM 34319 C2* A B1654 -845.974 -70.474 147.119 1.00855.43 C ATOM 34320 O2* A B1654 -846.244 -71.803 147.515 1.00855.43 O ATOM 34321 C1* A B1654 -844.485 -70.170 147.307 1.00855.43 C ATOM 34322 N9 A B1654 -844.294 -68.806 147.795 1.00855.43 N ATOM 34323 C8 A B1654 -844.750 -67.641 147.232 1.00855.43 C ATOM 34324 N7 A B1654 -844.447 -66.567 147.920 1.00855.43 N ATOM 34325 C5 A B1654 -843.737 -67.059 149.007 1.00855.43 C ATOM 34326 C6 A B1654 -843.142 -66.425 150.111 1.00855.43 C ATOM 34327 N6 A B1654 -843.173 -65.104 150.311 1.00855.43 N ATOM 34328 N1 A B1654 -842.508 -67.202 151.015 1.00855.43 N ATOM 34329 C2 A B1654 -842.482 -68.527 150.815 1.00855.43 C ATOM 34330 N3 A B1654 -843.006 -69.239 149.817 1.00855.43 N ATOM 34331 C4 A B1654 -843.627 -68.436 148.938 1.00855.43 C ATOM 34332 P C B1655 -848.653 -70.225 144.889 1.00855.43 P ATOM 34333 O1P C B1655 -849.590 -71.175 144.239 1.00855.43 O ATOM 34334 O2P C B1655 -848.383 -68.911 144.254 1.00855.43 O ATOM 34335 O5* C B1655 -849.153 -69.960 146.379 1.00855.43 O ATOM 34336 C5* C B1655 -849.314 -71.043 147.287 1.00855.43 C ATOM 34337 C4* C B1655 -849.348 -70.538 148.713 1.00855.43 C ATOM 34338 O4* C B1655 -848.289 -69.573 148.938 1.00855.43 O ATOM 34339 C3* C B1655 -850.580 -69.772 149.167 1.00855.43 C ATOM 34340 O3* C B1655 -851.630 -70.676 149.491 1.00855.43 O ATOM 34341 C2* C B1655 -850.092 -69.003 150.392 1.00855.43 C ATOM 34342 O2* C B1655 -850.173 -69.765 151.580 1.00855.43 O ATOM 34343 C1* C B1655 -848.623 -68.754 150.049 1.00855.43 C ATOM 34344 N1 C B1655 -848.340 -67.347 149.712 1.00855.43 N ATOM 34345 C2 C B1655 -847.525 -66.597 150.575 1.00855.43 C ATOM 34346 O2 C B1655 -847.055 -67.141 151.585 1.00855.43 O ATOM 34347 N3 C B1655 -847.274 -65.301 150.285 1.00855.43 N ATOM 34348 C4 C B1655 -847.794 -64.747 149.186 1.00855.43 C ATOM 34349 N4 C B1655 -847.522 -63.462 148.947 1.00855.43 N ATOM 34350 C5 C B1655 -848.617 -65.489 148.287 1.00855.43 C ATOM 34351 C6 C B1655 -848.864 -66.773 148.585 1.00855.43 C ATOM 34352 P U B1656 -853.129 -70.122 149.644 1.00855.43 P ATOM 34353 O1P U B1656 -854.011 -71.273 149.959 1.00855.43 O ATOM 34354 O2P U B1656 -853.432 -69.264 148.469 1.00855.43 O ATOM 34355 O5* U B1656 -853.042 -69.197 150.936 1.00855.43 O ATOM 34356 C5* U B1656 -853.601 -67.890 150.943 1.00855.43 C ATOM 34357 C4* U B1656 -853.845 -67.449 152.365 1.00855.43 C ATOM 34358 O4* U B1656 -852.602 -67.523 153.112 1.00855.43 O ATOM 34359 C3* U B1656 -854.334 -66.021 152.591 1.00855.43 C ATOM 34360 O3* U B1656 -855.737 -65.873 152.399 1.00855.43 O ATOM 34361 C2* U B1656 -853.912 -65.755 154.030 1.00855.43 C ATOM 34362 O2* U B1656 -854.828 -66.271 154.975 1.00855.43 O ATOM 34363 C1* U B1656 -852.595 -66.532 154.122 1.00855.43 C ATOM 34364 N1 U B1656 -851.408 -65.685 153.925 1.00855.43 N ATOM 34365 C2 U B1656 -850.937 -64.970 155.010 1.00855.43 C ATOM 34366 O2 U B1656 -851.463 -65.010 156.108 1.00855.43 O ATOM 34367 N3 U B1656 -849.826 -64.202 154.759 1.00855.43 N ATOM 34368 C4 U B1656 -849.153 -64.082 153.557 1.00855.43 C ATOM 34369 O4 U B1656 -848.160 -63.356 153.492 1.00855.43 O ATOM 34370 C5 U B1656 -849.701 -64.854 152.486 1.00855.43 C ATOM 34371 C6 U B1656 -850.781 -65.611 152.702 1.00855.43 C ATOM 34372 P A B1657 -856.313 -64.543 151.701 1.00855.43 P ATOM 34373 O1P A B1657 -857.706 -64.824 151.276 1.00855.43 O ATOM 34374 O2P A B1657 -855.320 -64.074 150.702 1.00855.43 O ATOM 34375 O5* A B1657 -856.363 -63.485 152.890 1.00855.43 O ATOM 34376 C5* A B1657 -855.187 -62.791 153.283 1.00855.43 C ATOM 34377 C4* A B1657 -855.072 -62.746 154.785 1.00855.43 C ATOM 34378 O4* A B1657 -853.703 -62.436 155.140 1.00855.43 O ATOM 34379 C3* A B1657 -855.883 -61.691 155.493 1.00855.43 C ATOM 34380 O3* A B1657 -857.214 -62.161 155.677 1.00855.43 O ATOM 34381 C2* A B1657 -855.125 -61.486 156.799 1.00855.43 C ATOM 34382 O2* A B1657 -855.470 -62.439 157.785 1.00855.43 O ATOM 34383 C1* A B1657 -853.676 -61.712 156.354 1.00855.43 C ATOM 34384 N9 A B1657 -852.943 -60.474 156.094 1.00855.43 N ATOM 34385 C8 A B1657 -852.713 -59.900 154.870 1.00855.43 C ATOM 34386 N7 A B1657 -852.014 -58.795 154.927 1.00855.43 N ATOM 34387 C5 A B1657 -851.769 -58.626 156.280 1.00855.43 C ATOM 34388 C6 A B1657 -851.074 -57.637 156.998 1.00855.43 C ATOM 34389 N6 A B1657 -850.477 -56.590 156.425 1.00855.43 N ATOM 34390 N1 A B1657 -851.013 -57.762 158.343 1.00855.43 N ATOM 34391 C2 A B1657 -851.612 -58.815 158.914 1.00855.43 C ATOM 34392 N3 A B1657 -852.294 -59.808 158.348 1.00855.43 N ATOM 34393 C4 A B1657 -852.336 -59.652 157.015 1.00855.43 C ATOM 34394 P A B1658 -858.421 -61.462 154.886 1.00855.43 P ATOM 34395 O1P A B1658 -859.687 -61.983 155.456 1.00855.43 O ATOM 34396 O2P A B1658 -858.167 -61.587 153.428 1.00855.43 O ATOM 34397 O5* A B1658 -858.288 -59.926 155.291 1.00855.43 O ATOM 34398 C5* A B1658 -858.265 -59.539 156.659 1.00855.43 C ATOM 34399 C4* A B1658 -857.861 -58.091 156.788 1.00855.43 C ATOM 34400 O4* A B1658 -856.428 -57.954 156.611 1.00855.43 O ATOM 34401 C3* A B1658 -858.477 -57.234 155.696 1.00855.43 C ATOM 34402 O3* A B1658 -859.788 -56.791 156.025 1.00855.43 O ATOM 34403 C2* A B1658 -857.483 -56.084 155.572 1.00855.43 C ATOM 34404 O2* A B1658 -857.689 -55.079 156.544 1.00855.43 O ATOM 34405 C1* A B1658 -856.153 -56.793 155.841 1.00855.43 C ATOM 34406 N9 A B1658 -855.488 -57.204 154.607 1.00855.43 N ATOM 34407 C8 A B1658 -855.947 -58.071 153.647 1.00855.43 C ATOM 34408 N7 A B1658 -855.134 -58.217 152.632 1.00855.43 N ATOM 34409 C5 A B1658 -854.060 -57.393 152.943 1.00855.43 C ATOM 34410 C6 A B1658 -852.861 -57.101 152.268 1.00855.43 C ATOM 34411 N6 A B1658 -852.532 -57.622 151.085 1.00855.43 N ATOM 34412 N1 A B1658 -852.002 -56.243 152.858 1.00855.43 N ATOM 34413 C2 A B1658 -852.336 -55.716 154.043 1.00855.43 C ATOM 34414 N3 A B1658 -853.428 -55.910 154.775 1.00855.43 N ATOM 34415 C4 A B1658 -854.262 -56.768 154.162 1.00855.43 C ATOM 34416 P G B1659 -861.047 -57.380 155.217 1.00855.43 P ATOM 34417 O1P G B1659 -862.272 -56.775 155.797 1.00855.43 O ATOM 34418 O2P G B1659 -860.913 -58.858 155.167 1.00855.43 O ATOM 34419 O5* G B1659 -860.861 -56.815 153.740 1.00855.43 O ATOM 34420 C5* G B1659 -860.606 -55.430 153.514 1.00855.43 C ATOM 34421 C4* G B1659 -859.863 -55.236 152.212 1.00855.43 C ATOM 34422 O4* G B1659 -858.607 -55.957 152.273 1.00855.43 O ATOM 34423 C3* G B1659 -860.511 -55.804 150.978 1.00855.43 C ATOM 34424 O3* G B1659 -861.493 -54.909 150.484 1.00855.43 O ATOM 34425 C2* G B1659 -859.342 -55.957 150.017 1.00855.43 C ATOM 34426 O2* G B1659 -859.019 -54.750 149.359 1.00855.43 O ATOM 34427 C1* G B1659 -858.218 -56.357 150.966 1.00855.43 C ATOM 34428 N9 G B1659 -858.078 -57.808 150.964 1.00855.43 N ATOM 34429 C8 G B1659 -858.787 -58.710 151.717 1.00855.43 C ATOM 34430 N7 G B1659 -858.479 -59.952 151.453 1.00855.43 N ATOM 34431 C5 G B1659 -857.500 -59.858 150.474 1.00855.43 C ATOM 34432 C6 G B1659 -856.792 -60.876 149.784 1.00855.43 C ATOM 34433 O6 G B1659 -856.899 -62.100 149.901 1.00855.43 O ATOM 34434 N1 G B1659 -855.885 -60.341 148.876 1.00855.43 N ATOM 34435 C2 G B1659 -855.688 -58.999 148.651 1.00855.43 C ATOM 34436 N2 G B1659 -854.763 -58.685 147.731 1.00855.43 N ATOM 34437 N3 G B1659 -856.349 -58.045 149.281 1.00855.43 N ATOM 34438 C4 G B1659 -857.228 -58.542 150.172 1.00855.43 C ATOM 34439 P G B1660 -862.631 -55.458 149.489 1.00855.43 P ATOM 34440 O1P G B1660 -863.423 -54.293 149.019 1.00855.43 O ATOM 34441 O2P G B1660 -863.323 -56.587 150.160 1.00855.43 O ATOM 34442 O5* G B1660 -861.821 -56.044 148.247 1.00855.43 O ATOM 34443 C5* G B1660 -861.330 -55.185 147.221 1.00855.43 C ATOM 34444 C4* G B1660 -861.050 -55.970 145.960 1.00855.43 C ATOM 34445 O4* G B1660 -859.751 -56.613 146.061 1.00855.43 O ATOM 34446 C3* G B1660 -861.983 -57.127 145.601 1.00855.43 C ATOM 34447 O3* G B1660 -863.236 -56.782 145.018 1.00855.43 O ATOM 34448 C2* G B1660 -861.125 -57.954 144.652 1.00855.43 C ATOM 34449 O2* G B1660 -861.128 -57.444 143.334 1.00855.43 O ATOM 34450 C1* G B1660 -859.734 -57.784 145.265 1.00855.43 C ATOM 34451 N9 G B1660 -859.383 -58.915 146.121 1.00855.43 N ATOM 34452 C8 G B1660 -859.512 -58.996 147.483 1.00855.43 C ATOM 34453 N7 G B1660 -859.132 -60.150 147.966 1.00855.43 N ATOM 34454 C5 G B1660 -858.715 -60.868 146.851 1.00855.43 C ATOM 34455 C6 G B1660 -858.195 -62.184 146.749 1.00855.43 C ATOM 34456 O6 G B1660 -857.989 -63.011 147.651 1.00855.43 O ATOM 34457 N1 G B1660 -857.904 -62.513 145.428 1.00855.43 N ATOM 34458 C2 G B1660 -858.084 -61.681 144.348 1.00855.43 C ATOM 34459 N2 G B1660 -857.738 -62.177 143.151 1.00855.43 N ATOM 34460 N3 G B1660 -858.570 -60.455 144.434 1.00855.43 N ATOM 34461 C4 G B1660 -858.863 -60.116 145.708 1.00855.43 C ATOM 34462 P C B1661 -864.493 -57.764 145.196 1.00855.43 P ATOM 34463 O1P C B1661 -865.631 -57.157 144.462 1.00855.43 O ATOM 34464 O2P C B1661 -864.636 -58.081 146.641 1.00855.43 O ATOM 34465 O5* C B1661 -864.066 -59.098 144.430 1.00855.43 O ATOM 34466 C5* C B1661 -863.735 -59.060 143.044 1.00855.43 C ATOM 34467 C4* C B1661 -863.068 -60.350 142.612 1.00855.43 C ATOM 34468 O4* C B1661 -861.985 -60.670 143.519 1.00855.43 O ATOM 34469 C3* C B1661 -863.895 -61.635 142.601 1.00855.43 C ATOM 34470 O3* C B1661 -864.643 -61.747 141.392 1.00855.43 O ATOM 34471 C2* C B1661 -862.828 -62.722 142.642 1.00855.43 C ATOM 34472 O2* C B1661 -862.355 -63.037 141.352 1.00855.43 O ATOM 34473 C1* C B1661 -861.707 -62.054 143.440 1.00855.43 C ATOM 34474 N1 C B1661 -861.535 -62.614 144.790 1.00855.43 N ATOM 34475 C2 C B1661 -860.779 -63.779 144.919 1.00855.43 C ATOM 34476 O2 C B1661 -860.293 -64.285 143.898 1.00855.43 O ATOM 34477 N3 C B1661 -860.596 -64.326 146.140 1.00855.43 N ATOM 34478 C4 C B1661 -861.143 -63.751 147.210 1.00855.43 C ATOM 34479 N4 C B1661 -860.932 -64.329 148.398 1.00855.43 N ATOM 34480 C5 C B1661 -861.924 -62.560 147.114 1.00855.43 C ATOM 34481 C6 C B1661 -862.093 -62.029 145.893 1.00855.43 C ATOM 34482 P G B1662 -865.820 -62.843 141.278 1.00855.43 P ATOM 34483 O1P G B1662 -866.874 -62.283 140.398 1.00855.43 O ATOM 34484 O2P G B1662 -866.168 -63.289 142.651 1.00855.43 O ATOM 34485 O5* G B1662 -865.147 -64.078 140.522 1.00855.43 O ATOM 34486 C5* G B1662 -864.449 -63.908 139.288 1.00855.43 C ATOM 34487 C4* G B1662 -864.220 -65.258 138.638 1.00855.43 C ATOM 34488 O4* G B1662 -863.370 -66.049 139.502 1.00855.43 O ATOM 34489 C3* G B1662 -865.501 -66.059 138.484 1.00855.43 C ATOM 34490 O3* G B1662 -866.135 -65.786 137.240 1.00855.43 O ATOM 34491 C2* G B1662 -865.020 -67.502 138.583 1.00855.43 C ATOM 34492 O2* G B1662 -864.542 -68.001 137.351 1.00855.43 O ATOM 34493 C1* G B1662 -863.855 -67.376 139.568 1.00855.43 C ATOM 34494 N9 G B1662 -864.215 -67.640 140.960 1.00855.43 N ATOM 34495 C8 G B1662 -865.280 -67.104 141.640 1.00855.43 C ATOM 34496 N7 G B1662 -865.344 -67.494 142.885 1.00855.43 N ATOM 34497 C5 G B1662 -864.259 -68.345 143.034 1.00855.43 C ATOM 34498 C6 G B1662 -863.801 -69.067 144.174 1.00855.43 C ATOM 34499 O6 G B1662 -864.276 -69.092 145.321 1.00855.43 O ATOM 34500 N1 G B1662 -862.664 -69.810 143.881 1.00855.43 N ATOM 34501 C2 G B1662 -862.040 -69.854 142.659 1.00855.43 C ATOM 34502 N2 G B1662 -860.954 -70.632 142.579 1.00855.43 N ATOM 34503 N3 G B1662 -862.448 -69.178 141.596 1.00855.43 N ATOM 34504 C4 G B1662 -863.555 -68.451 141.851 1.00855.43 C ATOM 34505 P C B1663 -867.332 -64.716 137.165 1.00855.43 P ATOM 34506 O1P C B1663 -867.522 -64.159 138.528 1.00855.43 O ATOM 34507 O2P C B1663 -868.481 -65.346 136.463 1.00855.43 O ATOM 34508 O5* C B1663 -866.755 -63.561 136.233 1.00855.43 O ATOM 34509 C5* C B1663 -866.243 -62.355 136.790 1.00855.43 C ATOM 34510 C4* C B1663 -865.065 -61.862 135.979 1.00855.43 C ATOM 34511 O4* C B1663 -863.955 -62.778 136.161 1.00855.43 O ATOM 34512 C3* C B1663 -865.296 -61.845 134.484 1.00855.43 C ATOM 34513 O3* C B1663 -865.938 -60.654 134.043 1.00855.43 O ATOM 34514 C2* C B1663 -863.882 -61.975 133.923 1.00855.43 C ATOM 34515 O2* C B1663 -863.196 -60.738 133.889 1.00855.43 O ATOM 34516 C1* C B1663 -863.227 -62.895 134.953 1.00855.43 C ATOM 34517 N1 C B1663 -863.274 -64.303 134.531 1.00855.43 N ATOM 34518 C2 C B1663 -862.168 -64.853 133.874 1.00855.43 C ATOM 34519 O2 C B1663 -861.168 -64.145 133.694 1.00855.43 O ATOM 34520 N3 C B1663 -862.220 -66.140 133.461 1.00855.43 N ATOM 34521 C4 C B1663 -863.316 -66.869 133.683 1.00855.43 C ATOM 34522 N4 C B1663 -863.326 -68.133 133.250 1.00855.43 N ATOM 34523 C5 C B1663 -864.450 -66.337 134.359 1.00855.43 C ATOM 34524 C6 C B1663 -864.388 -65.063 134.763 1.00855.43 C ATOM 34525 P G B1664 -867.227 -60.757 133.091 1.00855.43 P ATOM 34526 O1P G B1664 -867.042 -59.787 131.982 1.00855.43 O ATOM 34527 O2P G B1664 -868.445 -60.683 133.939 1.00855.43 O ATOM 34528 O5* G B1664 -867.145 -62.220 132.460 1.00855.43 O ATOM 34529 C5* G B1664 -868.155 -63.188 132.712 1.00855.43 C ATOM 34530 C4* G B1664 -868.978 -63.446 131.463 1.00855.43 C ATOM 34531 O4* G B1664 -870.009 -62.429 131.427 1.00855.43 O ATOM 34532 C3* G B1664 -868.197 -63.270 130.179 1.00855.43 C ATOM 34533 O3* G B1664 -867.632 -64.485 129.656 1.00855.43 O ATOM 34534 C2* G B1664 -869.239 -62.738 129.199 1.00855.43 C ATOM 34535 O2* G B1664 -869.968 -63.777 128.578 1.00855.43 O ATOM 34536 C1* G B1664 -870.148 -61.919 130.114 1.00855.43 C ATOM 34537 N9 G B1664 -869.805 -60.501 130.160 1.00855.43 N ATOM 34538 C8 G B1664 -869.111 -59.789 129.211 1.00855.43 C ATOM 34539 N7 G B1664 -868.927 -58.539 129.535 1.00855.43 N ATOM 34540 C5 G B1664 -869.542 -58.413 130.776 1.00855.43 C ATOM 34541 C6 G B1664 -869.663 -57.287 131.628 1.00855.43 C ATOM 34542 O6 G B1664 -869.236 -56.140 131.457 1.00855.43 O ATOM 34543 N1 G B1664 -870.369 -57.596 132.786 1.00855.43 N ATOM 34544 C2 G B1664 -870.886 -58.831 133.088 1.00855.43 C ATOM 34545 N2 G B1664 -871.541 -58.926 134.251 1.00855.43 N ATOM 34546 N3 G B1664 -870.776 -59.893 132.304 1.00855.43 N ATOM 34547 C4 G B1664 -870.096 -59.612 131.171 1.00855.43 C ATOM 34548 P C B1665 -866.939 -65.576 130.630 1.00855.43 P ATOM 34549 O1P C B1665 -866.135 -64.927 131.686 1.00855.43 O ATOM 34550 O2P C B1665 -866.295 -66.576 129.739 1.00855.43 O ATOM 34551 O5* C B1665 -868.161 -66.302 131.345 1.00855.43 O ATOM 34552 C5* C B1665 -868.209 -67.722 131.428 1.00855.43 C ATOM 34553 C4* C B1665 -869.555 -68.170 131.946 1.00855.43 C ATOM 34554 O4* C B1665 -870.565 -67.966 130.922 1.00855.43 O ATOM 34555 C3* C B1665 -869.696 -69.633 132.296 1.00855.43 C ATOM 34556 O3* C B1665 -869.195 -69.888 133.603 1.00855.43 O ATOM 34557 C2* C B1665 -871.199 -69.865 132.212 1.00855.43 C ATOM 34558 O2* C B1665 -871.870 -69.465 133.390 1.00855.43 O ATOM 34559 C1* C B1665 -871.592 -68.937 131.062 1.00855.43 C ATOM 34560 N1 C B1665 -871.719 -69.679 129.796 1.00855.43 N ATOM 34561 C2 C B1665 -872.932 -70.314 129.508 1.00855.43 C ATOM 34562 O2 C B1665 -873.879 -70.197 130.304 1.00855.43 O ATOM 34563 N3 C B1665 -873.047 -71.039 128.372 1.00855.43 N ATOM 34564 C4 C B1665 -872.010 -71.137 127.539 1.00855.43 C ATOM 34565 N4 C B1665 -872.154 -71.880 126.440 1.00855.43 N ATOM 34566 C5 C B1665 -870.769 -70.480 127.795 1.00855.43 C ATOM 34567 C6 C B1665 -870.671 -69.766 128.924 1.00855.43 C ATOM 34568 P G B1666 -868.660 -71.357 133.978 1.00855.43 P ATOM 34569 O1P G B1666 -868.680 -71.452 135.460 1.00855.43 O ATOM 34570 O2P G B1666 -867.394 -71.611 133.243 1.00855.43 O ATOM 34571 O5* G B1666 -869.782 -72.333 133.410 1.00855.43 O ATOM 34572 C5* G B1666 -870.877 -72.708 134.234 1.00855.43 C ATOM 34573 C4* G B1666 -871.479 -74.021 133.776 1.00855.43 C ATOM 34574 O4* G B1666 -872.373 -73.806 132.647 1.00855.43 O ATOM 34575 C3* G B1666 -870.551 -75.120 133.283 1.00855.43 C ATOM 34576 O3* G B1666 -869.899 -75.851 134.313 1.00855.43 O ATOM 34577 C2* G B1666 -871.504 -76.023 132.510 1.00855.43 C ATOM 34578 O2* G B1666 -872.203 -76.920 133.347 1.00855.43 O ATOM 34579 C1* G B1666 -872.487 -75.015 131.914 1.00855.43 C ATOM 34580 N9 G B1666 -872.182 -74.778 130.507 1.00855.43 N ATOM 34581 C8 G B1666 -871.214 -73.970 129.960 1.00855.43 C ATOM 34582 N7 G B1666 -871.179 -74.034 128.654 1.00855.43 N ATOM 34583 C5 G B1666 -872.191 -74.926 128.324 1.00855.43 C ATOM 34584 C6 G B1666 -872.633 -75.410 127.059 1.00855.43 C ATOM 34585 O6 G B1666 -872.201 -75.140 125.934 1.00855.43 O ATOM 34586 N1 G B1666 -873.692 -76.299 127.198 1.00855.43 N ATOM 34587 C2 G B1666 -874.258 -76.680 128.391 1.00855.43 C ATOM 34588 N2 G B1666 -875.276 -77.547 128.322 1.00855.43 N ATOM 34589 N3 G B1666 -873.856 -76.246 129.565 1.00855.43 N ATOM 34590 C4 G B1666 -872.826 -75.377 129.460 1.00855.43 C ATOM 34591 P A B1667 -868.652 -76.796 133.946 1.00855.43 P ATOM 34592 O1P A B1667 -867.932 -77.101 135.205 1.00855.43 O ATOM 34593 O2P A B1667 -867.919 -76.174 132.812 1.00855.43 O ATOM 34594 O5* A B1667 -869.321 -78.146 133.418 1.00855.43 O ATOM 34595 C5* A B1667 -870.130 -78.948 134.276 1.00855.43 C ATOM 34596 C4* A B1667 -870.753 -80.087 133.502 1.00855.43 C ATOM 34597 O4* A B1667 -871.674 -79.549 132.521 1.00855.43 O ATOM 34598 C3* A B1667 -869.851 -80.988 132.662 1.00855.43 C ATOM 34599 O3* A B1667 -869.124 -81.976 133.378 1.00855.43 O ATOM 34600 C2* A B1667 -870.834 -81.610 131.679 1.00855.43 C ATOM 34601 O2* A B1667 -871.534 -82.707 132.231 1.00855.43 O ATOM 34602 C1* A B1667 -871.800 -80.453 131.435 1.00855.43 C ATOM 34603 N9 A B1667 -871.472 -79.736 130.205 1.00855.43 N ATOM 34604 C8 A B1667 -870.386 -78.937 129.950 1.00855.43 C ATOM 34605 N7 A B1667 -870.367 -78.446 128.733 1.00855.43 N ATOM 34606 C5 A B1667 -871.519 -78.951 128.149 1.00855.43 C ATOM 34607 C6 A B1667 -872.076 -78.805 126.868 1.00855.43 C ATOM 34608 N6 A B1667 -871.525 -78.074 125.893 1.00855.43 N ATOM 34609 N1 A B1667 -873.238 -79.448 126.614 1.00855.43 N ATOM 34610 C2 A B1667 -873.792 -80.179 127.585 1.00855.43 C ATOM 34611 N3 A B1667 -873.365 -80.396 128.825 1.00855.43 N ATOM 34612 C4 A B1667 -872.212 -79.745 129.047 1.00855.43 C ATOM 34613 P G B1668 -867.750 -82.548 132.769 1.00855.43 P ATOM 34614 O1P G B1668 -866.995 -83.169 133.885 1.00855.43 O ATOM 34615 O2P G B1668 -867.126 -81.456 131.981 1.00855.43 O ATOM 34616 O5* G B1668 -868.208 -83.714 131.777 1.00855.43 O ATOM 34617 C5* G B1668 -869.058 -84.761 132.241 1.00855.43 C ATOM 34618 C4* G B1668 -869.820 -85.404 131.099 1.00855.43 C ATOM 34619 O4* G B1668 -870.602 -84.403 130.388 1.00855.43 O ATOM 34620 C3* G B1668 -868.970 -86.061 130.031 1.00855.43 C ATOM 34621 O3* G B1668 -868.667 -87.401 130.393 1.00855.43 O ATOM 34622 C2* G B1668 -869.888 -86.039 128.818 1.00855.43 C ATOM 34623 O2* G B1668 -870.820 -87.102 128.819 1.00855.43 O ATOM 34624 C1* G B1668 -870.622 -84.716 129.005 1.00855.43 C ATOM 34625 N9 G B1668 -869.923 -83.670 128.267 1.00855.43 N ATOM 34626 C8 G B1668 -869.336 -82.534 128.762 1.00855.43 C ATOM 34627 N7 G B1668 -868.749 -81.817 127.838 1.00855.43 N ATOM 34628 C5 G B1668 -868.974 -82.523 126.663 1.00855.43 C ATOM 34629 C6 G B1668 -868.576 -82.244 125.330 1.00855.43 C ATOM 34630 O6 G B1668 -867.920 -81.286 124.904 1.00855.43 O ATOM 34631 N1 G B1668 -869.017 -83.225 124.448 1.00855.43 N ATOM 34632 C2 G B1668 -869.746 -84.333 124.799 1.00855.43 C ATOM 34633 N2 G B1668 -870.079 -85.167 123.803 1.00855.43 N ATOM 34634 N3 G B1668 -870.121 -84.605 126.038 1.00855.43 N ATOM 34635 C4 G B1668 -869.703 -83.664 126.911 1.00855.43 C ATOM 34636 P A B1669 -867.126 -87.873 130.442 1.00855.43 P ATOM 34637 O1P A B1669 -867.042 -89.002 131.395 1.00855.43 O ATOM 34638 O2P A B1669 -866.276 -86.675 130.650 1.00855.43 O ATOM 34639 O5* A B1669 -866.834 -88.446 128.984 1.00855.43 O ATOM 34640 C5* A B1669 -867.645 -89.479 128.432 1.00855.43 C ATOM 34641 C4* A B1669 -867.683 -89.383 126.921 1.00855.43 C ATOM 34642 O4* A B1669 -868.278 -88.126 126.512 1.00855.43 O ATOM 34643 C3* A B1669 -866.292 -89.427 126.286 1.00855.43 C ATOM 34644 O3* A B1669 -865.853 -90.749 125.995 1.00855.43 O ATOM 34645 C2* A B1669 -866.487 -88.617 125.007 1.00855.43 C ATOM 34646 O2* A B1669 -867.011 -89.395 123.947 1.00855.43 O ATOM 34647 C1* A B1669 -867.533 -87.586 125.431 1.00855.43 C ATOM 34648 N9 A B1669 -866.973 -86.297 125.829 1.00855.43 N ATOM 34649 C8 A B1669 -866.978 -85.700 127.067 1.00855.43 C ATOM 34650 N7 A B1669 -866.401 -84.517 127.084 1.00855.43 N ATOM 34651 C5 A B1669 -865.983 -84.331 125.774 1.00855.43 C ATOM 34652 C6 A B1669 -865.309 -83.276 125.135 1.00855.43 C ATOM 34653 N6 A B1669 -864.929 -82.155 125.754 1.00855.43 N ATOM 34654 N1 A B1669 -865.039 -83.407 123.816 1.00855.43 N ATOM 34655 C2 A B1669 -865.429 -84.527 123.193 1.00855.43 C ATOM 34656 N3 A B1669 -866.073 -85.582 123.680 1.00855.43 N ATOM 34657 C4 A B1669 -866.322 -85.420 124.990 1.00855.43 C ATOM 34658 P G B1670 -864.340 -91.000 125.510 1.00855.43 P ATOM 34659 O1P G B1670 -864.281 -90.670 124.061 1.00855.43 O ATOM 34660 O2P G B1670 -863.922 -92.346 125.970 1.00855.43 O ATOM 34661 O5* G B1670 -863.497 -89.906 126.301 1.00855.43 O ATOM 34662 C5* G B1670 -862.303 -89.355 125.747 1.00855.43 C ATOM 34663 C4* G B1670 -862.596 -88.014 125.119 1.00855.43 C ATOM 34664 O4* G B1670 -863.089 -87.092 126.121 1.00855.43 O ATOM 34665 C3* G B1670 -861.400 -87.324 124.471 1.00855.43 C ATOM 34666 O3* G B1670 -861.213 -87.757 123.127 1.00855.43 O ATOM 34667 C2* G B1670 -861.783 -85.847 124.551 1.00855.43 C ATOM 34668 O2* G B1670 -862.601 -85.444 123.471 1.00855.43 O ATOM 34669 C1* G B1670 -862.600 -85.794 125.845 1.00855.43 C ATOM 34670 N9 G B1670 -861.873 -85.308 127.014 1.00855.43 N ATOM 34671 C8 G B1670 -860.780 -85.885 127.619 1.00855.43 C ATOM 34672 N7 G B1670 -860.366 -85.216 128.664 1.00855.43 N ATOM 34673 C5 G B1670 -861.232 -84.135 128.753 1.00855.43 C ATOM 34674 C6 G B1670 -861.284 -83.069 129.687 1.00855.43 C ATOM 34675 O6 G B1670 -860.550 -82.859 130.660 1.00855.43 O ATOM 34676 N1 G B1670 -862.322 -82.190 129.403 1.00855.43 N ATOM 34677 C2 G B1670 -863.203 -82.318 128.354 1.00855.43 C ATOM 34678 N2 G B1670 -864.137 -81.363 128.247 1.00855.43 N ATOM 34679 N3 G B1670 -863.170 -83.310 127.480 1.00855.43 N ATOM 34680 C4 G B1670 -862.165 -84.176 127.737 1.00855.43 C ATOM 34681 P A B1671 -859.847 -87.412 122.352 1.00855.43 P ATOM 34682 O1P A B1671 -858.738 -87.956 123.170 1.00855.43 O ATOM 34683 O2P A B1671 -859.854 -85.972 121.990 1.00855.43 O ATOM 34684 O5* A B1671 -859.934 -88.272 121.012 1.00855.43 O ATOM 34685 C5* A B1671 -861.184 -88.471 120.360 1.00855.43 C ATOM 34686 C4* A B1671 -860.973 -89.097 119.001 1.00855.43 C ATOM 34687 O4* A B1671 -862.266 -89.373 118.400 1.00855.43 O ATOM 34688 C3* A B1671 -860.258 -88.231 117.988 1.00855.43 C ATOM 34689 O3* A B1671 -858.847 -88.346 118.116 1.00855.43 O ATOM 34690 C2* A B1671 -860.752 -88.789 116.661 1.00855.43 C ATOM 34691 O2* A B1671 -860.032 -89.939 116.261 1.00855.43 O ATOM 34692 C1* A B1671 -862.194 -89.162 117.000 1.00855.43 C ATOM 34693 N9 A B1671 -863.116 -88.082 116.658 1.00855.43 N ATOM 34694 C8 A B1671 -864.019 -87.458 117.483 1.00855.43 C ATOM 34695 N7 A B1671 -864.685 -86.489 116.901 1.00855.43 N ATOM 34696 C5 A B1671 -864.191 -86.483 115.603 1.00855.43 C ATOM 34697 C6 A B1671 -864.485 -85.683 114.484 1.00855.43 C ATOM 34698 N6 A B1671 -865.382 -84.695 114.497 1.00855.43 N ATOM 34699 N1 A B1671 -863.814 -85.935 113.342 1.00855.43 N ATOM 34700 C2 A B1671 -862.910 -86.918 113.332 1.00855.43 C ATOM 34701 N3 A B1671 -862.545 -87.737 114.315 1.00855.43 N ATOM 34702 C4 A B1671 -863.230 -87.461 115.439 1.00855.43 C ATOM 34703 P A B1672 -857.926 -87.033 117.949 1.00855.43 P ATOM 34704 O1P A B1672 -856.620 -87.314 118.599 1.00855.43 O ATOM 34705 O2P A B1672 -858.722 -85.856 118.376 1.00855.43 O ATOM 34706 O5* A B1672 -857.685 -86.922 116.379 1.00855.43 O ATOM 34707 C5* A B1672 -857.379 -88.073 115.594 1.00855.43 C ATOM 34708 C4* A B1672 -857.683 -87.808 114.139 1.00855.43 C ATOM 34709 O4* A B1672 -859.079 -87.453 113.976 1.00855.43 O ATOM 34710 C3* A B1672 -856.932 -86.662 113.513 1.00855.43 C ATOM 34711 O3* A B1672 -855.672 -87.125 113.072 1.00855.43 O ATOM 34712 C2* A B1672 -857.823 -86.248 112.351 1.00855.43 C ATOM 34713 O2* A B1672 -857.626 -87.034 111.193 1.00855.43 O ATOM 34714 C1* A B1672 -859.216 -86.514 112.924 1.00855.43 C ATOM 34715 N9 A B1672 -859.811 -85.300 113.477 1.00855.43 N ATOM 34716 C8 A B1672 -860.355 -85.122 114.723 1.00855.43 C ATOM 34717 N7 A B1672 -860.815 -83.913 114.934 1.00855.43 N ATOM 34718 C5 A B1672 -860.551 -83.247 113.742 1.00855.43 C ATOM 34719 C6 A B1672 -860.795 -81.930 113.324 1.00855.43 C ATOM 34720 N6 A B1672 -861.385 -81.006 114.087 1.00855.43 N ATOM 34721 N1 A B1672 -860.403 -81.584 112.077 1.00855.43 N ATOM 34722 C2 A B1672 -859.812 -82.512 111.313 1.00855.43 C ATOM 34723 N3 A B1672 -859.532 -83.782 111.593 1.00855.43 N ATOM 34724 C4 A B1672 -859.934 -84.091 112.838 1.00855.43 C ATOM 34725 P C B1673 -854.344 -86.624 113.813 1.00855.43 P ATOM 34726 O1P C B1673 -853.262 -87.402 113.174 1.00855.43 O ATOM 34727 O2P C B1673 -854.549 -86.726 115.280 1.00855.43 O ATOM 34728 O5* C B1673 -854.231 -85.077 113.431 1.00855.43 O ATOM 34729 C5* C B1673 -854.442 -84.621 112.095 1.00855.43 C ATOM 34730 C4* C B1673 -855.286 -83.363 112.082 1.00855.43 C ATOM 34731 O4* C B1673 -856.541 -83.631 112.756 1.00855.43 O ATOM 34732 C3* C B1673 -854.700 -82.167 112.818 1.00855.43 C ATOM 34733 O3* C B1673 -853.843 -81.389 111.987 1.00855.43 O ATOM 34734 C2* C B1673 -855.940 -81.367 113.200 1.00855.43 C ATOM 34735 O2* C B1673 -856.400 -80.543 112.147 1.00855.43 O ATOM 34736 C1* C B1673 -856.960 -82.478 113.460 1.00855.43 C ATOM 34737 N1 C B1673 -857.051 -82.818 114.886 1.00855.43 N ATOM 34738 C2 C B1673 -857.905 -82.075 115.700 1.00855.43 C ATOM 34739 O2 C B1673 -858.569 -81.159 115.193 1.00855.43 O ATOM 34740 N3 C B1673 -857.984 -82.372 117.018 1.00855.43 N ATOM 34741 C4 C B1673 -857.249 -83.368 117.522 1.00855.43 C ATOM 34742 N4 C B1673 -857.350 -83.622 118.828 1.00855.43 N ATOM 34743 C5 C B1673 -856.376 -84.149 116.709 1.00855.43 C ATOM 34744 C6 C B1673 -856.311 -83.843 115.408 1.00855.43 C ATOM 34745 P C B1674 -852.645 -80.541 112.654 1.00855.43 P ATOM 34746 O1P C B1674 -852.076 -79.668 111.595 1.00855.43 O ATOM 34747 O2P C B1674 -851.757 -81.481 113.384 1.00855.43 O ATOM 34748 O5* C B1674 -853.364 -79.603 113.724 1.00855.43 O ATOM 34749 C5* C B1674 -854.061 -78.430 113.312 1.00855.43 C ATOM 34750 C4* C B1674 -854.607 -77.687 114.509 1.00855.43 C ATOM 34751 O4* C B1674 -855.540 -78.541 115.228 1.00855.43 O ATOM 34752 C3* C B1674 -853.623 -77.358 115.609 1.00855.43 C ATOM 34753 O3* C B1674 -852.821 -76.222 115.318 1.00855.43 O ATOM 34754 C2* C B1674 -854.498 -77.129 116.833 1.00855.43 C ATOM 34755 O2* C B1674 -855.008 -75.810 116.902 1.00855.43 O ATOM 34756 C1* C B1674 -855.632 -78.117 116.579 1.00855.43 C ATOM 34757 N1 C B1674 -855.457 -79.293 117.444 1.00855.43 N ATOM 34758 C2 C B1674 -856.504 -79.653 118.291 1.00855.43 C ATOM 34759 O2 C B1674 -857.554 -78.993 118.256 1.00855.43 O ATOM 34760 N3 C B1674 -856.344 -80.704 119.127 1.00855.43 N ATOM 34761 C4 C B1674 -855.195 -81.383 119.133 1.00855.43 C ATOM 34762 N4 C B1674 -855.073 -82.402 119.989 1.00855.43 N ATOM 34763 C5 C B1674 -854.115 -81.042 118.267 1.00855.43 C ATOM 34764 C6 C B1674 -854.290 -80.005 117.444 1.00855.43 C ATOM 34765 P C B1675 -851.225 -76.321 115.488 1.00855.43 P ATOM 34766 O1P C B1675 -850.599 -75.631 114.330 1.00855.43 O ATOM 34767 O2P C B1675 -850.886 -77.740 115.767 1.00855.43 O ATOM 34768 O5* C B1675 -850.920 -75.474 116.801 1.00855.43 O ATOM 34769 C5* C B1675 -851.029 -74.053 116.797 1.00855.43 C ATOM 34770 C4* C B1675 -851.615 -73.564 118.104 1.00855.43 C ATOM 34771 O4* C B1675 -852.847 -74.284 118.370 1.00855.43 O ATOM 34772 C3* C B1675 -850.781 -73.789 119.352 1.00855.43 C ATOM 34773 O3* C B1675 -849.804 -72.770 119.529 1.00855.43 O ATOM 34774 C2* C B1675 -851.829 -73.770 120.460 1.00855.43 C ATOM 34775 O2* C B1675 -852.183 -72.461 120.850 1.00855.43 O ATOM 34776 C1* C B1675 -853.019 -74.440 119.770 1.00855.43 C ATOM 34777 N1 C B1675 -853.078 -75.877 120.061 1.00855.43 N ATOM 34778 C2 C B1675 -853.918 -76.323 121.083 1.00855.43 C ATOM 34779 O2 C B1675 -854.599 -75.494 121.704 1.00855.43 O ATOM 34780 N3 C B1675 -853.967 -77.645 121.368 1.00855.43 N ATOM 34781 C4 C B1675 -853.214 -78.505 120.680 1.00855.43 C ATOM 34782 N4 C B1675 -853.289 -79.798 121.000 1.00855.43 N ATOM 34783 C5 C B1675 -852.351 -78.077 119.631 1.00855.43 C ATOM 34784 C6 C B1675 -852.315 -76.769 119.359 1.00855.43 C ATOM 34785 P U B1676 -848.407 -73.131 120.236 1.00855.43 P ATOM 34786 O1P U B1676 -847.677 -71.856 120.442 1.00855.43 O ATOM 34787 O2P U B1676 -847.764 -74.225 119.467 1.00855.43 O ATOM 34788 O5* U B1676 -848.821 -73.697 121.668 1.00855.43 O ATOM 34789 C5* U B1676 -849.104 -72.807 122.740 1.00855.43 C ATOM 34790 C4* U B1676 -849.348 -73.570 124.024 1.00855.43 C ATOM 34791 O4* U B1676 -850.455 -74.494 123.834 1.00855.43 O ATOM 34792 C3* U B1676 -848.232 -74.449 124.525 1.00855.43 C ATOM 34793 O3* U B1676 -847.299 -73.685 125.273 1.00855.43 O ATOM 34794 C2* U B1676 -848.958 -75.449 125.412 1.00855.43 C ATOM 34795 O2* U B1676 -849.235 -74.935 126.700 1.00855.43 O ATOM 34796 C1* U B1676 -850.260 -75.646 124.638 1.00855.43 C ATOM 34797 N1 U B1676 -850.117 -76.818 123.765 1.00855.43 N ATOM 34798 C2 U B1676 -850.259 -78.062 124.348 1.00855.43 C ATOM 34799 O2 U B1676 -850.554 -78.210 125.521 1.00855.43 O ATOM 34800 N3 U B1676 -850.044 -79.126 123.509 1.00855.43 N ATOM 34801 C4 U B1676 -849.718 -79.073 122.170 1.00855.43 C ATOM 34802 O4 U B1676 -849.495 -80.122 121.563 1.00855.43 O ATOM 34803 C5 U B1676 -849.620 -77.749 121.631 1.00855.43 C ATOM 34804 C6 U B1676 -849.822 -76.693 122.427 1.00855.43 C ATOM 34805 P C B1677 -845.794 -74.232 125.439 1.00855.43 P ATOM 34806 O1P C B1677 -845.039 -73.237 126.243 1.00855.43 O ATOM 34807 O2P C B1677 -845.296 -74.618 124.096 1.00855.43 O ATOM 34808 O5* C B1677 -845.950 -75.560 126.309 1.00855.43 O ATOM 34809 C5* C B1677 -846.038 -75.491 127.728 1.00855.43 C ATOM 34810 C4* C B1677 -845.928 -76.868 128.351 1.00855.43 C ATOM 34811 O4* C B1677 -847.010 -77.723 127.884 1.00855.43 O ATOM 34812 C3* C B1677 -844.671 -77.678 128.064 1.00855.43 C ATOM 34813 O3* C B1677 -843.573 -77.310 128.887 1.00855.43 O ATOM 34814 C2* C B1677 -845.127 -79.101 128.374 1.00855.43 C ATOM 34815 O2* C B1677 -845.095 -79.388 129.761 1.00855.43 O ATOM 34816 C1* C B1677 -846.584 -79.076 127.907 1.00855.43 C ATOM 34817 N1 C B1677 -846.724 -79.656 126.563 1.00855.43 N ATOM 34818 C2 C B1677 -846.683 -81.049 126.425 1.00855.43 C ATOM 34819 O2 C B1677 -846.559 -81.748 127.439 1.00855.43 O ATOM 34820 N3 C B1677 -846.779 -81.596 125.193 1.00855.43 N ATOM 34821 C4 C B1677 -846.912 -80.812 124.125 1.00855.43 C ATOM 34822 N4 C B1677 -846.988 -81.400 122.927 1.00855.43 N ATOM 34823 C5 C B1677 -846.971 -79.391 124.232 1.00855.43 C ATOM 34824 C6 C B1677 -846.876 -78.860 125.461 1.00855.43 C ATOM 34825 P G B1678 -842.081 -77.736 128.457 1.00855.43 P ATOM 34826 O1P G B1678 -841.136 -76.994 129.328 1.00855.43 O ATOM 34827 O2P G B1678 -841.970 -77.612 126.980 1.00855.43 O ATOM 34828 O5* G B1678 -841.997 -79.281 128.834 1.00855.43 O ATOM 34829 C5* G B1678 -842.156 -79.705 130.186 1.00855.43 C ATOM 34830 C4* G B1678 -842.489 -81.177 130.256 1.00855.43 C ATOM 34831 O4* G B1678 -843.662 -81.489 129.457 1.00855.43 O ATOM 34832 C3* G B1678 -841.428 -82.118 129.743 1.00855.43 C ATOM 34833 O3* G B1678 -840.455 -82.321 130.759 1.00855.43 O ATOM 34834 C2* G B1678 -842.219 -83.389 129.441 1.00855.43 C ATOM 34835 O2* G B1678 -842.411 -84.192 130.587 1.00855.43 O ATOM 34836 C1* G B1678 -843.570 -82.829 128.992 1.00855.43 C ATOM 34837 N9 G B1678 -843.726 -82.845 127.540 1.00855.43 N ATOM 34838 C8 G B1678 -843.362 -81.863 126.650 1.00855.43 C ATOM 34839 N7 G B1678 -843.615 -82.179 125.409 1.00855.43 N ATOM 34840 C5 G B1678 -844.181 -83.445 125.482 1.00855.43 C ATOM 34841 C6 G B1678 -844.657 -84.302 124.450 1.00855.43 C ATOM 34842 O6 G B1678 -844.671 -84.108 123.231 1.00855.43 O ATOM 34843 N1 G B1678 -845.158 -85.494 124.966 1.00855.43 N ATOM 34844 C2 G B1678 -845.196 -85.824 126.297 1.00855.43 C ATOM 34845 N2 G B1678 -845.719 -87.028 126.586 1.00855.43 N ATOM 34846 N3 G B1678 -844.755 -85.036 127.268 1.00855.43 N ATOM 34847 C4 G B1678 -844.264 -83.871 126.789 1.00855.43 C ATOM 34848 P U B1679 -838.958 -82.736 130.346 1.00855.43 P ATOM 34849 O1P U B1679 -838.126 -82.665 131.576 1.00855.43 O ATOM 34850 O2P U B1679 -838.564 -81.955 129.147 1.00855.43 O ATOM 34851 O5* U B1679 -839.100 -84.267 129.932 1.00855.43 O ATOM 34852 C5* U B1679 -839.274 -85.260 130.933 1.00855.43 C ATOM 34853 C4* U B1679 -839.515 -86.616 130.316 1.00855.43 C ATOM 34854 O4* U B1679 -840.760 -86.625 129.563 1.00855.43 O ATOM 34855 C3* U B1679 -838.466 -87.114 129.355 1.00855.43 C ATOM 34856 O3* U B1679 -837.380 -87.709 130.066 1.00855.43 O ATOM 34857 C2* U B1679 -839.239 -88.142 128.537 1.00855.43 C ATOM 34858 O2* U B1679 -839.318 -89.400 129.178 1.00855.43 O ATOM 34859 C1* U B1679 -840.636 -87.520 128.469 1.00855.43 C ATOM 34860 N1 U B1679 -840.855 -86.798 127.205 1.00855.43 N ATOM 34861 C2 U B1679 -841.269 -87.547 126.117 1.00855.43 C ATOM 34862 O2 U B1679 -841.488 -88.744 126.185 1.00855.43 O ATOM 34863 N3 U B1679 -841.421 -86.843 124.949 1.00855.43 N ATOM 34864 C4 U B1679 -841.211 -85.494 124.761 1.00855.43 C ATOM 34865 O4 U B1679 -841.366 -85.008 123.638 1.00855.43 O ATOM 34866 C5 U B1679 -840.799 -84.781 125.935 1.00855.43 C ATOM 34867 C6 U B1679 -840.639 -85.445 127.089 1.00855.43 C ATOM 34868 P U B1680 -835.997 -88.015 129.300 1.00855.43 P ATOM 34869 O1P U B1680 -835.085 -88.706 130.244 1.00855.43 O ATOM 34870 O2P U B1680 -835.553 -86.761 128.636 1.00855.43 O ATOM 34871 O5* U B1680 -836.409 -89.046 128.156 1.00855.43 O ATOM 34872 C5* U B1680 -835.446 -89.463 127.201 1.00855.43 C ATOM 34873 C4* U B1680 -835.956 -90.619 126.381 1.00855.43 C ATOM 34874 O4* U B1680 -837.147 -90.182 125.678 1.00855.43 O ATOM 34875 C3* U B1680 -835.035 -91.111 125.302 1.00855.43 C ATOM 34876 O3* U B1680 -834.094 -92.024 125.853 1.00855.43 O ATOM 34877 C2* U B1680 -836.016 -91.749 124.321 1.00855.43 C ATOM 34878 O2* U B1680 -836.446 -93.027 124.731 1.00855.43 O ATOM 34879 C1* U B1680 -837.202 -90.788 124.406 1.00855.43 C ATOM 34880 N1 U B1680 -837.178 -89.693 123.427 1.00855.43 N ATOM 34881 C2 U B1680 -837.379 -89.993 122.095 1.00855.43 C ATOM 34882 O2 U B1680 -837.547 -91.129 121.688 1.00855.43 O ATOM 34883 N3 U B1680 -837.379 -88.904 121.259 1.00855.43 N ATOM 34884 C4 U B1680 -837.195 -87.580 121.612 1.00855.43 C ATOM 34885 O4 U B1680 -837.260 -86.702 120.754 1.00855.43 O ATOM 34886 C5 U B1680 -836.978 -87.362 123.006 1.00855.43 C ATOM 34887 C6 U B1680 -836.975 -88.397 123.841 1.00855.43 C ATOM 34888 P A B1681 -832.797 -92.453 125.007 1.00855.43 P ATOM 34889 O1P A B1681 -831.599 -91.980 125.747 1.00855.43 O ATOM 34890 O2P A B1681 -832.998 -92.038 123.592 1.00855.43 O ATOM 34891 O5* A B1681 -832.830 -94.044 125.077 1.00855.43 O ATOM 34892 C5* A B1681 -833.971 -94.762 124.612 1.00855.43 C ATOM 34893 C4* A B1681 -833.545 -95.951 123.793 1.00855.43 C ATOM 34894 O4* A B1681 -834.693 -96.440 123.057 1.00855.43 O ATOM 34895 C3* A B1681 -832.525 -95.616 122.732 1.00855.43 C ATOM 34896 O3* A B1681 -831.228 -95.674 123.311 1.00855.43 O ATOM 34897 C2* A B1681 -832.786 -96.666 121.660 1.00855.43 C ATOM 34898 O2* A B1681 -832.183 -97.908 121.966 1.00855.43 O ATOM 34899 C1* A B1681 -834.308 -96.804 121.745 1.00855.43 C ATOM 34900 N9 A B1681 -835.051 -95.932 120.837 1.00855.43 N ATOM 34901 C8 A B1681 -835.687 -94.772 121.203 1.00855.43 C ATOM 34902 N7 A B1681 -836.323 -94.182 120.224 1.00855.43 N ATOM 34903 C5 A B1681 -836.088 -95.002 119.131 1.00855.43 C ATOM 34904 C6 A B1681 -836.516 -94.933 117.790 1.00855.43 C ATOM 34905 N6 A B1681 -837.313 -93.969 117.312 1.00855.43 N ATOM 34906 N1 A B1681 -836.104 -95.904 116.950 1.00855.43 N ATOM 34907 C2 A B1681 -835.319 -96.882 117.437 1.00855.43 C ATOM 34908 N3 A B1681 -834.862 -97.063 118.680 1.00855.43 N ATOM 34909 C4 A B1681 -835.291 -96.077 119.488 1.00855.43 C ATOM 34910 P A B1682 -830.117 -94.607 122.875 1.00855.43 P ATOM 34911 O1P A B1682 -828.857 -94.959 123.581 1.00855.43 O ATOM 34912 O2P A B1682 -830.685 -93.242 123.022 1.00855.43 O ATOM 34913 O5* A B1682 -829.925 -94.911 121.329 1.00855.43 O ATOM 34914 C5* A B1682 -829.435 -96.176 120.901 1.00855.43 C ATOM 34915 C4* A B1682 -829.638 -96.333 119.419 1.00855.43 C ATOM 34916 O4* A B1682 -831.055 -96.394 119.108 1.00855.43 O ATOM 34917 C3* A B1682 -829.138 -95.202 118.565 1.00855.43 C ATOM 34918 O3* A B1682 -827.734 -95.316 118.400 1.00855.43 O ATOM 34919 C2* A B1682 -829.930 -95.376 117.280 1.00855.43 C ATOM 34920 O2* A B1682 -829.377 -96.373 116.446 1.00855.43 O ATOM 34921 C1* A B1682 -831.282 -95.838 117.822 1.00855.43 C ATOM 34922 N9 A B1682 -832.173 -94.689 117.976 1.00855.43 N ATOM 34923 C8 A B1682 -832.530 -94.054 119.139 1.00855.43 C ATOM 34924 N7 A B1682 -833.298 -93.009 118.958 1.00855.43 N ATOM 34925 C5 A B1682 -833.468 -92.955 117.582 1.00855.43 C ATOM 34926 C6 A B1682 -834.169 -92.072 116.749 1.00855.43 C ATOM 34927 N6 A B1682 -834.852 -91.015 117.200 1.00855.43 N ATOM 34928 N1 A B1682 -834.151 -92.308 115.423 1.00855.43 N ATOM 34929 C2 A B1682 -833.461 -93.359 114.976 1.00855.43 C ATOM 34930 N3 A B1682 -832.746 -94.253 115.651 1.00855.43 N ATOM 34931 C4 A B1682 -832.792 -93.993 116.966 1.00855.43 C ATOM 34932 P G B1683 -826.782 -94.238 119.114 1.00855.43 P ATOM 34933 O1P G B1683 -825.435 -94.848 119.264 1.00855.43 O ATOM 34934 O2P G B1683 -827.491 -93.723 120.312 1.00855.43 O ATOM 34935 O5* G B1683 -826.689 -93.058 118.047 1.00855.43 O ATOM 34936 C5* G B1683 -825.507 -92.882 117.277 1.00855.43 C ATOM 34937 C4* G B1683 -825.605 -91.646 116.410 1.00855.43 C ATOM 34938 O4* G B1683 -826.651 -91.803 115.415 1.00855.43 O ATOM 34939 C3* G B1683 -825.934 -90.344 117.077 1.00855.43 C ATOM 34940 O3* G B1683 -824.736 -89.809 117.629 1.00855.43 O ATOM 34941 C2* G B1683 -826.443 -89.488 115.922 1.00855.43 C ATOM 34942 O2* G B1683 -825.393 -88.884 115.193 1.00855.43 O ATOM 34943 C1* G B1683 -827.142 -90.524 115.044 1.00855.43 C ATOM 34944 N9 G B1683 -828.582 -90.487 115.273 1.00855.43 N ATOM 34945 C8 G B1683 -829.263 -90.957 116.370 1.00855.43 C ATOM 34946 N7 G B1683 -830.547 -90.732 116.309 1.00855.43 N ATOM 34947 C5 G B1683 -830.726 -90.079 115.097 1.00855.43 C ATOM 34948 C6 G B1683 -831.903 -89.573 114.492 1.00855.43 C ATOM 34949 O6 G B1683 -833.056 -89.590 114.926 1.00855.43 O ATOM 34950 N1 G B1683 -831.639 -88.997 113.255 1.00855.43 N ATOM 34951 C2 G B1683 -830.398 -88.908 112.677 1.00855.43 C ATOM 34952 N2 G B1683 -830.355 -88.326 111.469 1.00855.43 N ATOM 34953 N3 G B1683 -829.288 -89.360 113.237 1.00855.43 N ATOM 34954 C4 G B1683 -829.526 -89.932 114.439 1.00855.43 C ATOM 34955 P G B1684 -824.803 -88.950 118.988 1.00855.43 P ATOM 34956 O1P G B1684 -823.936 -89.620 119.984 1.00855.43 O ATOM 34957 O2P G B1684 -826.233 -88.707 119.309 1.00855.43 O ATOM 34958 O5* G B1684 -824.135 -87.554 118.610 1.00855.43 O ATOM 34959 C5* G B1684 -823.971 -87.159 117.249 1.00855.43 C ATOM 34960 C4* G B1684 -825.021 -86.139 116.875 1.00855.43 C ATOM 34961 O4* G B1684 -826.274 -86.502 117.515 1.00855.43 O ATOM 34962 C3* G B1684 -824.775 -84.720 117.334 1.00855.43 C ATOM 34963 O3* G B1684 -823.935 -84.047 116.406 1.00855.43 O ATOM 34964 C2* G B1684 -826.177 -84.129 117.386 1.00855.43 C ATOM 34965 O2* G B1684 -826.632 -83.695 116.122 1.00855.43 O ATOM 34966 C1* G B1684 -826.999 -85.334 117.848 1.00855.43 C ATOM 34967 N9 G B1684 -827.221 -85.350 119.292 1.00855.43 N ATOM 34968 C8 G B1684 -826.591 -84.567 120.227 1.00855.43 C ATOM 34969 N7 G B1684 -826.976 -84.815 121.449 1.00855.43 N ATOM 34970 C5 G B1684 -827.918 -85.826 121.311 1.00855.43 C ATOM 34971 C6 G B1684 -828.676 -86.507 122.294 1.00855.43 C ATOM 34972 O6 G B1684 -828.665 -86.358 123.519 1.00855.43 O ATOM 34973 N1 G B1684 -829.516 -87.454 121.721 1.00855.43 N ATOM 34974 C2 G B1684 -829.614 -87.717 120.378 1.00855.43 C ATOM 34975 N2 G B1684 -830.486 -88.670 120.030 1.00855.43 N ATOM 34976 N3 G B1684 -828.912 -87.088 119.450 1.00855.43 N ATOM 34977 C4 G B1684 -828.087 -86.161 119.982 1.00855.43 C ATOM 34978 P A B1685 -823.562 -82.500 116.636 1.00855.43 P ATOM 34979 O1P A B1685 -822.322 -82.217 115.870 1.00855.43 O ATOM 34980 O2P A B1685 -823.613 -82.198 118.089 1.00855.43 O ATOM 34981 O5* A B1685 -824.763 -81.729 115.932 1.00855.43 O ATOM 34982 C5* A B1685 -824.621 -81.254 114.606 1.00855.43 C ATOM 34983 C4* A B1685 -825.818 -81.643 113.776 1.00855.43 C ATOM 34984 O4* A B1685 -827.044 -81.319 114.482 1.00855.43 O ATOM 34985 C3* A B1685 -825.932 -80.952 112.431 1.00855.43 C ATOM 34986 O3* A B1685 -825.086 -81.571 111.461 1.00855.43 O ATOM 34987 C2* A B1685 -827.432 -81.014 112.150 1.00855.43 C ATOM 34988 O2* A B1685 -827.861 -82.248 111.611 1.00855.43 O ATOM 34989 C1* A B1685 -828.020 -80.880 113.557 1.00855.43 C ATOM 34990 N9 A B1685 -828.437 -79.519 113.907 1.00855.43 N ATOM 34991 C8 A B1685 -827.670 -78.462 114.341 1.00855.43 C ATOM 34992 N7 A B1685 -828.365 -77.373 114.591 1.00855.43 N ATOM 34993 C5 A B1685 -829.671 -77.735 114.293 1.00855.43 C ATOM 34994 C6 A B1685 -830.883 -77.029 114.348 1.00855.43 C ATOM 34995 N6 A B1685 -830.984 -75.754 114.740 1.00855.43 N ATOM 34996 N1 A B1685 -832.006 -77.682 113.987 1.00855.43 N ATOM 34997 C2 A B1685 -831.909 -78.959 113.602 1.00855.43 C ATOM 34998 N3 A B1685 -830.832 -79.729 113.509 1.00855.43 N ATOM 34999 C4 A B1685 -829.730 -79.053 113.871 1.00855.43 C ATOM 35000 P A B1686 -824.875 -80.897 110.017 1.00855.43 P ATOM 35001 O1P A B1686 -823.460 -81.144 109.633 1.00855.43 O ATOM 35002 O2P A B1686 -825.398 -79.506 110.018 1.00855.43 O ATOM 35003 O5* A B1686 -825.801 -81.796 109.083 1.00855.43 O ATOM 35004 C5* A B1686 -825.391 -82.113 107.756 1.00855.43 C ATOM 35005 C4* A B1686 -825.920 -83.467 107.345 1.00855.43 C ATOM 35006 O4* A B1686 -825.551 -84.495 108.296 1.00855.43 O ATOM 35007 C3* A B1686 -827.430 -83.566 107.164 1.00855.43 C ATOM 35008 O3* A B1686 -827.843 -83.119 105.884 1.00855.43 O ATOM 35009 C2* A B1686 -827.652 -85.068 107.319 1.00855.43 C ATOM 35010 O2* A B1686 -827.348 -85.775 106.138 1.00855.43 O ATOM 35011 C1* A B1686 -826.599 -85.450 108.359 1.00855.43 C ATOM 35012 N9 A B1686 -827.100 -85.551 109.729 1.00855.43 N ATOM 35013 C8 A B1686 -826.512 -86.252 110.740 1.00855.43 C ATOM 35014 N7 A B1686 -827.158 -86.187 111.880 1.00855.43 N ATOM 35015 C5 A B1686 -828.251 -85.387 111.597 1.00855.43 C ATOM 35016 C6 A B1686 -829.325 -84.939 112.389 1.00855.43 C ATOM 35017 N6 A B1686 -829.457 -85.217 113.690 1.00855.43 N ATOM 35018 N1 A B1686 -830.266 -84.178 111.794 1.00855.43 N ATOM 35019 C2 A B1686 -830.122 -83.883 110.496 1.00855.43 C ATOM 35020 N3 A B1686 -829.151 -84.232 109.651 1.00855.43 N ATOM 35021 C4 A B1686 -828.237 -84.995 110.272 1.00855.43 C ATOM 35022 P C B1687 -829.350 -82.601 105.674 1.00855.43 P ATOM 35023 O1P C B1687 -829.827 -83.138 104.375 1.00855.43 O ATOM 35024 O2P C B1687 -829.368 -81.136 105.910 1.00855.43 O ATOM 35025 O5* C B1687 -830.187 -83.297 106.841 1.00855.43 O ATOM 35026 C5* C B1687 -831.530 -83.721 106.631 1.00855.43 C ATOM 35027 C4* C B1687 -832.498 -82.733 107.244 1.00855.43 C ATOM 35028 O4* C B1687 -832.095 -82.431 108.605 1.00855.43 O ATOM 35029 C3* C B1687 -832.600 -81.372 106.560 1.00855.43 C ATOM 35030 O3* C B1687 -833.514 -81.406 105.472 1.00855.43 O ATOM 35031 C2* C B1687 -833.106 -80.475 107.688 1.00855.43 C ATOM 35032 O2* C B1687 -834.507 -80.555 107.856 1.00855.43 O ATOM 35033 C1* C B1687 -832.419 -81.086 108.910 1.00855.43 C ATOM 35034 N1 C B1687 -831.189 -80.376 109.299 1.00855.43 N ATOM 35035 C2 C B1687 -831.291 -79.282 110.166 1.00855.43 C ATOM 35036 O2 C B1687 -832.410 -78.948 110.580 1.00855.43 O ATOM 35037 N3 C B1687 -830.169 -78.620 110.528 1.00855.43 N ATOM 35038 C4 C B1687 -828.981 -79.013 110.067 1.00855.43 C ATOM 35039 N4 C B1687 -827.900 -78.330 110.454 1.00855.43 N ATOM 35040 C5 C B1687 -828.848 -80.125 109.182 1.00855.43 C ATOM 35041 C6 C B1687 -829.966 -80.771 108.827 1.00855.43 C ATOM 35042 P U B1688 -832.973 -81.184 103.976 1.00855.43 P ATOM 35043 O1P U B1688 -833.818 -82.012 103.078 1.00855.43 O ATOM 35044 O2P U B1688 -831.501 -81.376 103.980 1.00855.43 O ATOM 35045 O5* U B1688 -833.284 -79.650 103.678 1.00855.43 O ATOM 35046 C5* U B1688 -834.425 -79.016 104.245 1.00855.43 C ATOM 35047 C4* U B1688 -834.025 -77.759 104.988 1.00855.43 C ATOM 35048 O4* U B1688 -833.087 -78.086 106.041 1.00855.43 O ATOM 35049 C3* U B1688 -833.331 -76.682 104.157 1.00855.43 C ATOM 35050 O3* U B1688 -834.231 -75.827 103.466 1.00855.43 O ATOM 35051 C2* U B1688 -832.543 -75.914 105.216 1.00855.43 C ATOM 35052 O2* U B1688 -833.328 -74.938 105.876 1.00855.43 O ATOM 35053 C1* U B1688 -832.174 -77.018 106.210 1.00855.43 C ATOM 35054 N1 U B1688 -830.803 -77.520 106.039 1.00855.43 N ATOM 35055 C2 U B1688 -829.967 -77.474 107.143 1.00855.43 C ATOM 35056 O2 U B1688 -830.330 -77.049 108.226 1.00855.43 O ATOM 35057 N3 U B1688 -828.697 -77.947 106.930 1.00855.43 N ATOM 35058 C4 U B1688 -828.187 -78.449 105.752 1.00855.43 C ATOM 35059 O4 U B1688 -827.019 -78.845 105.719 1.00855.43 O ATOM 35060 C5 U B1688 -829.111 -78.468 104.656 1.00855.43 C ATOM 35061 C6 U B1688 -830.357 -78.013 104.837 1.00855.43 C ATOM 35062 P U B1689 -833.701 -74.946 102.228 1.00855.43 P ATOM 35063 O1P U B1689 -834.631 -73.804 102.066 1.00855.43 O ATOM 35064 O2P U B1689 -833.443 -75.854 101.082 1.00855.43 O ATOM 35065 O5* U B1689 -832.306 -74.371 102.739 1.00855.43 O ATOM 35066 C5* U B1689 -831.170 -74.335 101.881 1.00855.43 C ATOM 35067 C4* U B1689 -830.405 -73.048 102.077 1.00855.43 C ATOM 35068 O4* U B1689 -831.263 -71.923 101.760 1.00855.43 O ATOM 35069 C3* U B1689 -829.919 -72.790 103.499 1.00855.43 C ATOM 35070 O3* U B1689 -828.654 -73.406 103.721 1.00855.43 O ATOM 35071 C2* U B1689 -829.832 -71.270 103.561 1.00855.43 C ATOM 35072 O2* U B1689 -828.614 -70.773 103.043 1.00855.43 O ATOM 35073 C1* U B1689 -830.980 -70.846 102.638 1.00855.43 C ATOM 35074 N1 U B1689 -832.218 -70.486 103.347 1.00855.43 N ATOM 35075 C2 U B1689 -832.431 -69.150 103.620 1.00855.43 C ATOM 35076 O2 U B1689 -831.639 -68.278 103.311 1.00855.43 O ATOM 35077 N3 U B1689 -833.610 -68.871 104.266 1.00855.43 N ATOM 35078 C4 U B1689 -834.574 -69.775 104.663 1.00855.43 C ATOM 35079 O4 U B1689 -835.589 -69.368 105.229 1.00855.43 O ATOM 35080 C5 U B1689 -834.277 -71.141 104.350 1.00855.43 C ATOM 35081 C6 U B1689 -833.136 -71.442 103.720 1.00855.43 C ATOM 35082 P U B1690 -828.455 -74.379 104.981 1.00855.43 P ATOM 35083 O1P U B1690 -827.247 -75.203 104.711 1.00855.43 O ATOM 35084 O2P U B1690 -829.751 -75.050 105.253 1.00855.43 O ATOM 35085 O5* U B1690 -828.120 -73.392 106.184 1.00855.43 O ATOM 35086 C5* U B1690 -826.991 -73.626 107.019 1.00855.43 C ATOM 35087 C4* U B1690 -826.934 -72.619 108.147 1.00855.43 C ATOM 35088 O4* U B1690 -826.972 -71.268 107.620 1.00855.43 O ATOM 35089 C3* U B1690 -828.071 -72.684 109.151 1.00855.43 C ATOM 35090 O3* U B1690 -827.809 -73.643 110.166 1.00855.43 O ATOM 35091 C2* U B1690 -828.075 -71.275 109.737 1.00855.43 C ATOM 35092 O2* U B1690 -827.142 -71.119 110.786 1.00855.43 O ATOM 35093 C1* U B1690 -827.643 -70.425 108.539 1.00855.43 C ATOM 35094 N1 U B1690 -828.764 -69.761 107.863 1.00855.43 N ATOM 35095 C2 U B1690 -828.827 -68.381 107.954 1.00855.43 C ATOM 35096 O2 U B1690 -827.991 -67.720 108.543 1.00855.43 O ATOM 35097 N3 U B1690 -829.906 -67.808 107.327 1.00855.43 N ATOM 35098 C4 U B1690 -830.906 -68.458 106.635 1.00855.43 C ATOM 35099 O4 U B1690 -831.827 -67.803 106.144 1.00855.43 O ATOM 35100 C5 U B1690 -830.762 -69.881 106.576 1.00855.43 C ATOM 35101 C6 U B1690 -829.722 -70.469 107.178 1.00855.43 C ATOM 35102 P G B1691 -829.028 -74.486 110.798 1.00855.43 P ATOM 35103 O1P G B1691 -828.434 -75.488 111.719 1.00855.43 O ATOM 35104 O2P G B1691 -829.903 -74.938 109.689 1.00855.43 O ATOM 35105 O5* G B1691 -829.829 -73.420 111.669 1.00855.43 O ATOM 35106 C5* G B1691 -829.166 -72.614 112.644 1.00855.43 C ATOM 35107 C4* G B1691 -829.458 -73.135 114.034 1.00855.43 C ATOM 35108 O4* G B1691 -828.688 -74.330 114.264 1.00855.43 O ATOM 35109 C3* G B1691 -829.108 -72.193 115.201 1.00855.43 C ATOM 35110 O3* G B1691 -830.182 -71.316 115.535 1.00855.43 O ATOM 35111 C2* G B1691 -828.877 -73.171 116.357 1.00855.43 C ATOM 35112 O2* G B1691 -830.062 -73.450 117.076 1.00855.43 O ATOM 35113 C1* G B1691 -828.414 -74.443 115.641 1.00855.43 C ATOM 35114 N9 G B1691 -827.030 -74.878 115.800 1.00855.43 N ATOM 35115 C8 G B1691 -826.167 -75.243 114.793 1.00855.43 C ATOM 35116 N7 G B1691 -825.018 -75.669 115.233 1.00855.43 N ATOM 35117 C5 G B1691 -825.119 -75.564 116.613 1.00855.43 C ATOM 35118 C6 G B1691 -824.185 -75.894 117.628 1.00855.43 C ATOM 35119 O6 G B1691 -823.049 -76.370 117.503 1.00855.43 O ATOM 35120 N1 G B1691 -824.690 -75.621 118.895 1.00855.43 N ATOM 35121 C2 G B1691 -825.937 -75.107 119.155 1.00855.43 C ATOM 35122 N2 G B1691 -826.236 -74.914 120.447 1.00855.43 N ATOM 35123 N3 G B1691 -826.820 -74.804 118.218 1.00855.43 N ATOM 35124 C4 G B1691 -826.347 -75.057 116.979 1.00855.43 C ATOM 35125 P C B1692 -830.037 -70.263 116.744 1.00855.43 P ATOM 35126 O1P C B1692 -828.680 -69.666 116.666 1.00855.43 O ATOM 35127 O2P C B1692 -830.485 -70.912 118.004 1.00855.43 O ATOM 35128 O5* C B1692 -831.105 -69.143 116.354 1.00855.43 O ATOM 35129 C5* C B1692 -831.028 -67.822 116.881 1.00855.43 C ATOM 35130 C4* C B1692 -832.402 -67.189 116.875 1.00855.43 C ATOM 35131 O4* C B1692 -832.870 -67.125 115.503 1.00855.43 O ATOM 35132 C3* C B1692 -833.487 -67.951 117.618 1.00855.43 C ATOM 35133 O3* C B1692 -833.523 -67.580 118.992 1.00855.43 O ATOM 35134 C2* C B1692 -834.759 -67.513 116.902 1.00855.43 C ATOM 35135 O2* C B1692 -835.256 -66.280 117.387 1.00855.43 O ATOM 35136 C1* C B1692 -834.267 -67.344 115.462 1.00855.43 C ATOM 35137 N1 C B1692 -834.527 -68.528 114.631 1.00855.43 N ATOM 35138 C2 C B1692 -835.809 -68.730 114.145 1.00855.43 C ATOM 35139 O2 C B1692 -836.654 -67.877 114.365 1.00855.43 O ATOM 35140 N3 C B1692 -836.086 -69.842 113.431 1.00855.43 N ATOM 35141 C4 C B1692 -835.120 -70.720 113.171 1.00855.43 C ATOM 35142 N4 C B1692 -835.436 -71.807 112.462 1.00855.43 N ATOM 35143 C5 C B1692 -833.785 -70.527 113.629 1.00855.43 C ATOM 35144 C6 C B1692 -833.536 -69.425 114.353 1.00855.43 C ATOM 35145 P A B1693 -833.645 -68.721 120.125 1.00855.43 P ATOM 35146 O1P A B1693 -833.674 -68.024 121.437 1.00855.43 O ATOM 35147 O2P A B1693 -832.612 -69.755 119.864 1.00855.43 O ATOM 35148 O5* A B1693 -835.083 -69.377 119.892 1.00855.43 O ATOM 35149 C5* A B1693 -836.249 -68.564 119.790 1.00855.43 C ATOM 35150 C4* A B1693 -837.308 -69.252 118.952 1.00855.43 C ATOM 35151 O4* A B1693 -836.832 -69.422 117.593 1.00855.43 O ATOM 35152 C3* A B1693 -837.665 -70.645 119.433 1.00855.43 C ATOM 35153 O3* A B1693 -838.712 -70.580 120.396 1.00855.43 O ATOM 35154 C2* A B1693 -838.142 -71.337 118.158 1.00855.43 C ATOM 35155 O2* A B1693 -839.505 -71.086 117.882 1.00855.43 O ATOM 35156 C1* A B1693 -837.276 -70.668 117.090 1.00855.43 C ATOM 35157 N9 A B1693 -836.118 -71.467 116.701 1.00855.43 N ATOM 35158 C8 A B1693 -834.803 -71.324 117.069 1.00855.43 C ATOM 35159 N7 A B1693 -834.003 -72.217 116.536 1.00855.43 N ATOM 35160 C5 A B1693 -834.849 -73.003 115.763 1.00855.43 C ATOM 35161 C6 A B1693 -834.618 -74.121 114.942 1.00855.43 C ATOM 35162 N6 A B1693 -833.415 -74.665 114.752 1.00855.43 N ATOM 35163 N1 A B1693 -835.681 -74.671 114.316 1.00855.43 N ATOM 35164 C2 A B1693 -836.889 -74.126 114.507 1.00855.43 C ATOM 35165 N3 A B1693 -837.231 -73.075 115.251 1.00855.43 N ATOM 35166 C4 A B1693 -836.152 -72.553 115.859 1.00855.43 C ATOM 35167 P A B1694 -838.402 -70.905 121.940 1.00855.43 P ATOM 35168 O1P A B1694 -839.563 -70.401 122.720 1.00855.43 O ATOM 35169 O2P A B1694 -837.037 -70.415 122.261 1.00855.43 O ATOM 35170 O5* A B1694 -838.409 -72.498 122.031 1.00855.43 O ATOM 35171 C5* A B1694 -839.494 -73.247 121.494 1.00855.43 C ATOM 35172 C4* A B1694 -839.003 -74.500 120.796 1.00855.43 C ATOM 35173 O4* A B1694 -838.218 -74.149 119.624 1.00855.43 O ATOM 35174 C3* A B1694 -838.093 -75.367 121.647 1.00855.43 C ATOM 35175 O3* A B1694 -838.845 -76.294 122.417 1.00855.43 O ATOM 35176 C2* A B1694 -837.258 -76.095 120.603 1.00855.43 C ATOM 35177 O2* A B1694 -837.915 -77.234 120.080 1.00855.43 O ATOM 35178 C1* A B1694 -837.124 -75.042 119.505 1.00855.43 C ATOM 35179 N9 A B1694 -835.874 -74.299 119.643 1.00855.43 N ATOM 35180 C8 A B1694 -835.590 -73.224 120.446 1.00855.43 C ATOM 35181 N7 A B1694 -834.346 -72.820 120.367 1.00855.43 N ATOM 35182 C5 A B1694 -833.772 -73.686 119.446 1.00855.43 C ATOM 35183 C6 A B1694 -832.470 -73.792 118.926 1.00855.43 C ATOM 35184 N6 A B1694 -831.461 -72.994 119.281 1.00855.43 N ATOM 35185 N1 A B1694 -832.233 -74.764 118.016 1.00855.43 N ATOM 35186 C2 A B1694 -833.240 -75.570 117.665 1.00855.43 C ATOM 35187 N3 A B1694 -834.504 -75.573 118.083 1.00855.43 N ATOM 35188 C4 A B1694 -834.705 -74.595 118.984 1.00855.43 C ATOM 35189 P U B1695 -839.142 -75.982 123.971 1.00855.43 P ATOM 35190 O1P U B1695 -840.476 -76.560 124.284 1.00855.43 O ATOM 35191 O2P U B1695 -838.894 -74.539 124.209 1.00855.43 O ATOM 35192 O5* U B1695 -838.044 -76.824 124.767 1.00855.43 O ATOM 35193 C5* U B1695 -837.510 -78.022 124.213 1.00855.43 C ATOM 35194 C4* U B1695 -836.005 -77.928 124.036 1.00855.43 C ATOM 35195 O4* U B1695 -835.671 -76.914 123.051 1.00855.43 O ATOM 35196 C3* U B1695 -835.261 -77.525 125.294 1.00855.43 C ATOM 35197 O3* U B1695 -834.960 -78.646 126.120 1.00855.43 O ATOM 35198 C2* U B1695 -833.972 -76.931 124.728 1.00855.43 C ATOM 35199 O2* U B1695 -833.006 -77.922 124.431 1.00855.43 O ATOM 35200 C1* U B1695 -834.449 -76.296 123.423 1.00855.43 C ATOM 35201 N1 U B1695 -834.637 -74.841 123.522 1.00855.43 N ATOM 35202 C2 U B1695 -833.555 -74.046 123.189 1.00855.43 C ATOM 35203 O2 U B1695 -832.495 -74.500 122.801 1.00855.43 O ATOM 35204 N3 U B1695 -833.766 -72.694 123.327 1.00855.43 N ATOM 35205 C4 U B1695 -834.920 -72.073 123.753 1.00855.43 C ATOM 35206 O4 U B1695 -834.948 -70.846 123.837 1.00855.43 O ATOM 35207 C5 U B1695 -835.995 -72.966 124.067 1.00855.43 C ATOM 35208 C6 U B1695 -835.822 -74.287 123.943 1.00855.43 C ATOM 35209 P C B1696 -834.497 -78.417 127.646 1.00855.43 P ATOM 35210 O1P C B1696 -834.600 -79.728 128.340 1.00855.43 O ATOM 35211 O2P C B1696 -835.236 -77.243 128.182 1.00855.43 O ATOM 35212 O5* C B1696 -832.952 -78.031 127.545 1.00855.43 O ATOM 35213 C5* C B1696 -831.998 -78.944 127.007 1.00855.43 C ATOM 35214 C4* C B1696 -830.696 -78.230 126.720 1.00855.43 C ATOM 35215 O4* C B1696 -830.939 -77.192 125.740 1.00855.43 O ATOM 35216 C3* C B1696 -830.076 -77.506 127.906 1.00855.43 C ATOM 35217 O3* C B1696 -829.218 -78.390 128.627 1.00855.43 O ATOM 35218 C2* C B1696 -829.267 -76.392 127.245 1.00855.43 C ATOM 35219 O2* C B1696 -827.982 -76.821 126.843 1.00855.43 O ATOM 35220 C1* C B1696 -830.097 -76.085 125.996 1.00855.43 C ATOM 35221 N1 C B1696 -830.930 -74.874 126.088 1.00855.43 N ATOM 35222 C2 C B1696 -830.457 -73.690 125.519 1.00855.43 C ATOM 35223 O2 C B1696 -829.342 -73.688 124.977 1.00855.43 O ATOM 35224 N3 C B1696 -831.220 -72.573 125.578 1.00855.43 N ATOM 35225 C4 C B1696 -832.414 -72.615 126.175 1.00855.43 C ATOM 35226 N4 C B1696 -833.136 -71.492 126.208 1.00855.43 N ATOM 35227 C5 C B1696 -832.921 -73.807 126.768 1.00855.43 C ATOM 35228 C6 C B1696 -832.153 -74.905 126.703 1.00855.43 C ATOM 35229 P U B1697 -829.177 -78.335 130.234 1.00855.43 P ATOM 35230 O1P U B1697 -828.455 -79.554 130.684 1.00855.43 O ATOM 35231 O2P U B1697 -830.548 -78.070 130.734 1.00855.43 O ATOM 35232 O5* U B1697 -828.259 -77.075 130.565 1.00855.43 O ATOM 35233 C5* U B1697 -826.975 -76.933 129.963 1.00855.43 C ATOM 35234 C4* U B1697 -826.577 -75.477 129.907 1.00855.43 C ATOM 35235 O4* U B1697 -827.466 -74.779 128.997 1.00855.43 O ATOM 35236 C3* U B1697 -826.697 -74.733 131.230 1.00855.43 C ATOM 35237 O3* U B1697 -825.518 -74.846 132.022 1.00855.43 O ATOM 35238 C2* U B1697 -826.917 -73.291 130.781 1.00855.43 C ATOM 35239 O2* U B1697 -825.704 -72.618 130.502 1.00855.43 O ATOM 35240 C1* U B1697 -827.707 -73.471 129.482 1.00855.43 C ATOM 35241 N1 U B1697 -829.156 -73.278 129.631 1.00855.43 N ATOM 35242 C2 U B1697 -829.775 -72.418 128.742 1.00855.43 C ATOM 35243 O2 U B1697 -829.171 -71.826 127.867 1.00855.43 O ATOM 35244 N3 U B1697 -831.128 -72.279 128.917 1.00855.43 N ATOM 35245 C4 U B1697 -831.911 -72.894 129.871 1.00855.43 C ATOM 35246 O4 U B1697 -833.122 -72.675 129.896 1.00855.43 O ATOM 35247 C5 U B1697 -831.194 -73.765 130.756 1.00855.43 C ATOM 35248 C6 U B1697 -829.874 -73.921 130.611 1.00855.43 C ATOM 35249 P C B1698 -825.631 -74.921 133.626 1.00855.43 P ATOM 35250 O1P C B1698 -824.703 -75.992 134.078 1.00855.43 O ATOM 35251 O2P C B1698 -827.068 -74.998 133.991 1.00855.43 O ATOM 35252 O5* C B1698 -825.051 -73.527 134.134 1.00855.43 O ATOM 35253 C5* C B1698 -823.687 -73.181 133.915 1.00855.43 C ATOM 35254 C4* C B1698 -823.553 -71.698 133.657 1.00855.43 C ATOM 35255 O4* C B1698 -824.228 -71.376 132.418 1.00855.43 O ATOM 35256 C3* C B1698 -824.174 -70.797 134.706 1.00855.43 C ATOM 35257 O3* C B1698 -823.207 -70.475 135.703 1.00855.43 O ATOM 35258 C2* C B1698 -824.475 -69.529 133.909 1.00855.43 C ATOM 35259 O2* C B1698 -823.340 -68.694 133.842 1.00855.43 O ATOM 35260 C1* C B1698 -824.749 -70.070 132.503 1.00855.43 C ATOM 35261 N1 C B1698 -826.150 -70.060 132.050 1.00855.43 N ATOM 35262 C2 C B1698 -826.422 -69.612 130.754 1.00855.43 C ATOM 35263 O2 C B1698 -825.481 -69.213 130.050 1.00855.43 O ATOM 35264 N3 C B1698 -827.695 -69.624 130.301 1.00855.43 N ATOM 35265 C4 C B1698 -828.678 -70.059 131.092 1.00855.43 C ATOM 35266 N4 C B1698 -829.918 -70.066 130.596 1.00855.43 N ATOM 35267 C5 C B1698 -828.433 -70.507 132.423 1.00855.43 C ATOM 35268 C6 C B1698 -827.165 -70.490 132.861 1.00855.43 C ATOM 35269 P A B1699 -822.597 -71.774 138.672 1.00852.32 P ATOM 35270 O1P A B1699 -821.285 -72.386 139.007 1.00852.32 O ATOM 35271 O2P A B1699 -823.829 -72.596 138.742 1.00852.32 O ATOM 35272 O5* A B1699 -822.785 -70.494 139.603 1.00852.32 O ATOM 35273 C5* A B1699 -823.847 -69.561 139.386 1.00852.32 C ATOM 35274 C4* A B1699 -824.648 -69.386 140.657 1.00852.32 C ATOM 35275 O4* A B1699 -825.292 -70.632 141.015 1.00852.32 O ATOM 35276 C3* A B1699 -823.827 -69.001 141.880 1.00852.32 C ATOM 35277 O3* A B1699 -823.649 -67.589 141.928 1.00852.32 O ATOM 35278 C2* A B1699 -824.662 -69.532 143.039 1.00852.32 C ATOM 35279 O2* A B1699 -825.683 -68.635 143.427 1.00852.32 O ATOM 35280 C1* A B1699 -825.306 -70.782 142.423 1.00852.32 C ATOM 35281 N9 A B1699 -824.636 -72.048 142.728 1.00852.32 N ATOM 35282 C8 A B1699 -824.188 -72.937 141.788 1.00852.32 C ATOM 35283 N7 A B1699 -823.667 -74.025 142.295 1.00852.32 N ATOM 35284 C5 A B1699 -823.769 -73.836 143.664 1.00852.32 C ATOM 35285 C6 A B1699 -823.405 -74.650 144.738 1.00852.32 C ATOM 35286 N6 A B1699 -822.882 -75.862 144.575 1.00852.32 N ATOM 35287 N1 A B1699 -823.616 -74.185 145.986 1.00852.32 N ATOM 35288 C2 A B1699 -824.182 -72.967 146.122 1.00852.32 C ATOM 35289 N3 A B1699 -824.587 -72.112 145.175 1.00852.32 N ATOM 35290 C4 A B1699 -824.347 -72.611 143.951 1.00852.32 C ATOM 35291 P C B1700 -822.172 -66.961 141.859 1.00852.32 P ATOM 35292 O1P C B1700 -822.296 -65.621 141.240 1.00852.32 O ATOM 35293 O2P C B1700 -821.263 -67.969 141.254 1.00852.32 O ATOM 35294 O5* C B1700 -821.765 -66.766 143.386 1.00852.32 O ATOM 35295 C5* C B1700 -822.533 -65.918 144.236 1.00852.32 C ATOM 35296 C4* C B1700 -822.353 -66.323 145.679 1.00852.32 C ATOM 35297 O4* C B1700 -822.982 -67.609 145.901 1.00852.32 O ATOM 35298 C3* C B1700 -820.900 -66.520 146.052 1.00852.32 C ATOM 35299 O3* C B1700 -820.342 -65.295 146.511 1.00852.32 O ATOM 35300 C2* C B1700 -820.960 -67.565 147.158 1.00852.32 C ATOM 35301 O2* C B1700 -821.234 -66.999 148.422 1.00852.32 O ATOM 35302 C1* C B1700 -822.151 -68.418 146.712 1.00852.32 C ATOM 35303 N1 C B1700 -821.733 -69.596 145.938 1.00852.32 N ATOM 35304 C2 C B1700 -821.473 -70.790 146.612 1.00852.32 C ATOM 35305 O2 C B1700 -821.616 -70.828 147.844 1.00852.32 O ATOM 35306 N3 C B1700 -821.069 -71.874 145.911 1.00852.32 N ATOM 35307 C4 C B1700 -820.923 -71.797 144.588 1.00852.32 C ATOM 35308 N4 C B1700 -820.515 -72.893 143.942 1.00852.32 N ATOM 35309 C5 C B1700 -821.189 -70.592 143.869 1.00852.32 C ATOM 35310 C6 C B1700 -821.589 -69.527 144.578 1.00852.32 C ATOM 35311 P C B1701 -818.765 -65.032 146.341 1.00852.32 P ATOM 35312 O1P C B1701 -818.486 -63.660 146.837 1.00852.32 O ATOM 35313 O2P C B1701 -818.374 -65.406 144.956 1.00852.32 O ATOM 35314 O5* C B1701 -818.093 -66.068 147.349 1.00852.32 O ATOM 35315 C5* C B1701 -818.085 -65.815 148.749 1.00852.32 C ATOM 35316 C4* C B1701 -817.264 -66.859 149.475 1.00852.32 C ATOM 35317 O4* C B1701 -817.973 -68.123 149.499 1.00852.32 O ATOM 35318 C3* C B1701 -815.921 -67.190 148.853 1.00852.32 C ATOM 35319 O3* C B1701 -814.911 -66.265 149.227 1.00852.32 O ATOM 35320 C2* C B1701 -815.637 -68.587 149.394 1.00852.32 C ATOM 35321 O2* C B1701 -815.085 -68.563 150.697 1.00852.32 O ATOM 35322 C1* C B1701 -817.041 -69.191 149.449 1.00852.32 C ATOM 35323 N1 C B1701 -817.324 -70.010 148.261 1.00852.32 N ATOM 35324 C2 C B1701 -816.954 -71.358 148.278 1.00852.32 C ATOM 35325 O2 C B1701 -816.435 -71.822 149.305 1.00852.32 O ATOM 35326 N3 C B1701 -817.176 -72.122 147.183 1.00852.32 N ATOM 35327 C4 C B1701 -817.748 -71.585 146.104 1.00852.32 C ATOM 35328 N4 C B1701 -817.937 -72.371 145.042 1.00852.32 N ATOM 35329 C5 C B1701 -818.142 -70.215 146.059 1.00852.32 C ATOM 35330 C6 C B1701 -817.917 -69.473 147.152 1.00852.32 C ATOM 35331 P C B1702 -813.824 -65.796 148.140 1.00852.32 P ATOM 35332 O1P C B1702 -813.256 -64.504 148.602 1.00852.32 O ATOM 35333 O2P C B1702 -814.453 -65.879 146.797 1.00852.32 O ATOM 35334 O5* C B1702 -812.685 -66.906 148.225 1.00852.32 O ATOM 35335 C5* C B1702 -812.008 -67.160 149.451 1.00852.32 C ATOM 35336 C4* C B1702 -811.434 -68.559 149.458 1.00852.32 C ATOM 35337 O4* C B1702 -812.506 -69.529 149.346 1.00852.32 O ATOM 35338 C3* C B1702 -810.506 -68.856 148.290 1.00852.32 C ATOM 35339 O3* C B1702 -809.166 -68.464 148.566 1.00852.32 O ATOM 35340 C2* C B1702 -810.631 -70.367 148.142 1.00852.32 C ATOM 35341 O2* C B1702 -809.795 -71.078 149.035 1.00852.32 O ATOM 35342 C1* C B1702 -812.094 -70.605 148.518 1.00852.32 C ATOM 35343 N1 C B1702 -812.975 -70.659 147.335 1.00852.32 N ATOM 35344 C2 C B1702 -813.415 -71.911 146.885 1.00852.32 C ATOM 35345 O2 C B1702 -813.069 -72.931 147.501 1.00852.32 O ATOM 35346 N3 C B1702 -814.208 -71.979 145.790 1.00852.32 N ATOM 35347 C4 C B1702 -814.564 -70.859 145.155 1.00852.32 C ATOM 35348 N4 C B1702 -815.342 -70.976 144.075 1.00852.32 N ATOM 35349 C5 C B1702 -814.134 -69.571 145.598 1.00852.32 C ATOM 35350 C6 C B1702 -813.350 -69.519 146.684 1.00852.32 C ATOM 35351 P C B1703 -808.453 -67.385 147.613 1.00852.32 P ATOM 35352 O1P C B1703 -807.692 -66.442 148.471 1.00852.32 O ATOM 35353 O2P C B1703 -809.463 -66.861 146.660 1.00852.32 O ATOM 35354 O5* C B1703 -807.409 -68.254 146.784 1.00852.32 O ATOM 35355 C5* C B1703 -806.485 -69.117 147.437 1.00852.32 C ATOM 35356 C4* C B1703 -806.490 -70.464 146.763 1.00852.32 C ATOM 35357 O4* C B1703 -807.837 -71.005 146.788 1.00852.32 O ATOM 35358 C3* C B1703 -806.069 -70.467 145.285 1.00852.32 C ATOM 35359 O3* C B1703 -804.664 -70.586 145.098 1.00852.32 O ATOM 35360 C2* C B1703 -806.793 -71.695 144.755 1.00852.32 C ATOM 35361 O2* C B1703 -806.072 -72.875 144.870 1.00852.32 O ATOM 35362 C1* C B1703 -808.055 -71.756 145.612 1.00852.32 C ATOM 35363 N1 C B1703 -809.193 -71.211 144.873 1.00852.32 N ATOM 35364 C2 C B1703 -809.904 -72.063 144.021 1.00852.32 C ATOM 35365 O2 C B1703 -809.584 -73.263 143.967 1.00852.32 O ATOM 35366 N3 C B1703 -810.913 -71.566 143.281 1.00852.32 N ATOM 35367 C4 C B1703 -811.229 -70.275 143.372 1.00852.32 C ATOM 35368 N4 C B1703 -812.217 -69.820 142.601 1.00852.32 N ATOM 35369 C5 C B1703 -810.540 -69.390 144.253 1.00852.32 C ATOM 35370 C6 C B1703 -809.543 -69.896 144.979 1.00852.32 C ATOM 35371 P G B1704 -803.979 -69.968 143.782 1.00852.32 P ATOM 35372 O1P G B1704 -802.605 -70.521 143.697 1.00852.32 O ATOM 35373 O2P G B1704 -804.177 -68.495 143.807 1.00852.32 O ATOM 35374 O5* G B1704 -804.831 -70.569 142.574 1.00852.32 O ATOM 35375 C5* G B1704 -804.618 -71.904 142.132 1.00852.32 C ATOM 35376 C4* G B1704 -805.536 -72.234 140.971 1.00852.32 C ATOM 35377 O4* G B1704 -806.911 -72.042 141.380 1.00852.32 O ATOM 35378 C3* G B1704 -805.401 -71.375 139.730 1.00852.32 C ATOM 35379 O3* G B1704 -804.321 -71.787 138.906 1.00852.32 O ATOM 35380 C2* G B1704 -806.759 -71.555 139.065 1.00852.32 C ATOM 35381 O2* G B1704 -806.853 -72.765 138.340 1.00852.32 O ATOM 35382 C1* G B1704 -807.687 -71.599 140.279 1.00852.32 C ATOM 35383 N9 G B1704 -808.182 -70.273 140.620 1.00852.32 N ATOM 35384 C8 G B1704 -807.823 -69.542 141.726 1.00852.32 C ATOM 35385 N7 G B1704 -808.405 -68.379 141.789 1.00852.32 N ATOM 35386 C5 G B1704 -809.199 -68.335 140.653 1.00852.32 C ATOM 35387 C6 G B1704 -810.058 -67.316 140.186 1.00852.32 C ATOM 35388 O6 G B1704 -810.294 -66.215 140.699 1.00852.32 O ATOM 35389 N1 G B1704 -810.677 -67.673 138.993 1.00852.32 N ATOM 35390 C2 G B1704 -810.488 -68.862 138.332 1.00852.32 C ATOM 35391 N2 G B1704 -811.183 -69.012 137.190 1.00852.32 N ATOM 35392 N3 G B1704 -809.687 -69.827 138.756 1.00852.32 N ATOM 35393 C4 G B1704 -809.076 -69.498 139.918 1.00852.32 C ATOM 35394 P U B1705 -803.310 -70.687 138.318 1.00852.32 P ATOM 35395 O1P U B1705 -802.191 -71.410 137.658 1.00852.32 O ATOM 35396 O2P U B1705 -803.016 -69.707 139.391 1.00852.32 O ATOM 35397 O5* U B1705 -804.161 -69.954 137.190 1.00852.32 O ATOM 35398 C5* U B1705 -804.330 -70.550 135.909 1.00852.32 C ATOM 35399 C4* U B1705 -805.242 -69.705 135.050 1.00852.32 C ATOM 35400 O4* U B1705 -806.445 -69.359 135.780 1.00852.32 O ATOM 35401 C3* U B1705 -804.705 -68.368 134.605 1.00852.32 C ATOM 35402 O3* U B1705 -803.896 -68.564 133.462 1.00852.32 O ATOM 35403 C2* U B1705 -805.966 -67.580 134.266 1.00852.32 C ATOM 35404 O2* U B1705 -806.431 -67.834 132.955 1.00852.32 O ATOM 35405 C1* U B1705 -806.965 -68.135 135.284 1.00852.32 C ATOM 35406 N1 U B1705 -807.159 -67.217 136.412 1.00852.32 N ATOM 35407 C2 U B1705 -808.422 -66.691 136.598 1.00852.32 C ATOM 35408 O2 U B1705 -809.368 -66.980 135.883 1.00852.32 O ATOM 35409 N3 U B1705 -808.540 -65.822 137.653 1.00852.32 N ATOM 35410 C4 U B1705 -807.541 -65.434 138.523 1.00852.32 C ATOM 35411 O4 U B1705 -807.798 -64.629 139.419 1.00852.32 O ATOM 35412 C5 U B1705 -806.265 -66.030 138.268 1.00852.32 C ATOM 35413 C6 U B1705 -806.120 -66.878 137.251 1.00852.32 C ATOM 35414 P A B1706 -802.841 -67.433 133.039 1.00852.32 P ATOM 35415 O1P A B1706 -801.608 -67.650 133.840 1.00852.32 O ATOM 35416 O2P A B1706 -803.520 -66.116 133.075 1.00852.32 O ATOM 35417 O5* A B1706 -802.527 -67.773 131.517 1.00852.32 O ATOM 35418 C5* A B1706 -802.196 -66.748 130.604 1.00852.32 C ATOM 35419 C4* A B1706 -802.663 -67.123 129.222 1.00852.32 C ATOM 35420 O4* A B1706 -804.078 -67.435 129.224 1.00852.32 O ATOM 35421 C3* A B1706 -802.501 -66.063 128.165 1.00852.32 C ATOM 35422 O3* A B1706 -801.173 -66.065 127.701 1.00852.32 O ATOM 35423 C2* A B1706 -803.538 -66.467 127.126 1.00852.32 C ATOM 35424 O2* A B1706 -803.067 -67.506 126.284 1.00852.32 O ATOM 35425 C1* A B1706 -804.659 -67.017 128.011 1.00852.32 C ATOM 35426 N9 A B1706 -805.712 -66.067 128.353 1.00852.32 N ATOM 35427 C8 A B1706 -805.723 -65.223 129.435 1.00852.32 C ATOM 35428 N7 A B1706 -806.795 -64.474 129.515 1.00852.32 N ATOM 35429 C5 A B1706 -807.539 -64.851 128.406 1.00852.32 C ATOM 35430 C6 A B1706 -808.782 -64.421 127.923 1.00852.32 C ATOM 35431 N6 A B1706 -809.519 -63.475 128.521 1.00852.32 N ATOM 35432 N1 A B1706 -809.251 -65.001 126.792 1.00852.32 N ATOM 35433 C2 A B1706 -808.504 -65.946 126.200 1.00852.32 C ATOM 35434 N3 A B1706 -807.319 -66.431 126.560 1.00852.32 N ATOM 35435 C4 A B1706 -806.885 -65.833 127.684 1.00852.32 C ATOM 35436 P A B1707 -800.621 -64.800 126.898 1.00852.32 P ATOM 35437 O1P A B1707 -799.138 -64.870 126.914 1.00852.32 O ATOM 35438 O2P A B1707 -801.308 -63.595 127.428 1.00852.32 O ATOM 35439 O5* A B1707 -801.135 -65.113 125.432 1.00852.32 O ATOM 35440 C5* A B1707 -800.249 -65.699 124.486 1.00852.32 C ATOM 35441 C4* A B1707 -800.878 -65.709 123.117 1.00852.32 C ATOM 35442 O4* A B1707 -802.186 -66.340 123.164 1.00852.32 O ATOM 35443 C3* A B1707 -801.117 -64.351 122.509 1.00852.32 C ATOM 35444 O3* A B1707 -799.919 -63.913 121.882 1.00852.32 O ATOM 35445 C2* A B1707 -802.258 -64.607 121.533 1.00852.32 C ATOM 35446 O2* A B1707 -801.813 -65.134 120.302 1.00852.32 O ATOM 35447 C1* A B1707 -803.073 -65.662 122.288 1.00852.32 C ATOM 35448 N9 A B1707 -804.127 -65.041 123.090 1.00852.32 N ATOM 35449 C8 A B1707 -804.025 -64.515 124.351 1.00852.32 C ATOM 35450 N7 A B1707 -805.140 -63.990 124.796 1.00852.32 N ATOM 35451 C5 A B1707 -806.041 -64.193 123.760 1.00852.32 C ATOM 35452 C6 A B1707 -807.399 -63.858 123.608 1.00852.32 C ATOM 35453 N6 A B1707 -808.113 -63.217 124.534 1.00852.32 N ATOM 35454 N1 A B1707 -808.001 -64.205 122.451 1.00852.32 N ATOM 35455 C2 A B1707 -807.283 -64.842 121.517 1.00852.32 C ATOM 35456 N3 A B1707 -806.002 -65.206 121.542 1.00852.32 N ATOM 35457 C4 A B1707 -805.433 -64.847 122.706 1.00852.32 C ATOM 35458 P C B1708 -799.454 -62.384 122.068 1.00852.32 P ATOM 35459 O1P C B1708 -798.512 -62.066 120.965 1.00852.32 O ATOM 35460 O2P C B1708 -799.032 -62.191 123.478 1.00852.32 O ATOM 35461 O5* C B1708 -800.796 -61.560 121.831 1.00852.32 O ATOM 35462 C5* C B1708 -801.237 -61.262 120.513 1.00852.32 C ATOM 35463 C4* C B1708 -802.523 -60.476 120.545 1.00852.32 C ATOM 35464 O4* C B1708 -803.522 -61.174 121.335 1.00852.32 O ATOM 35465 C3* C B1708 -802.410 -59.082 121.162 1.00852.32 C ATOM 35466 O3* C B1708 -802.045 -58.099 120.206 1.00852.32 O ATOM 35467 C2* C B1708 -803.818 -58.842 121.688 1.00852.32 C ATOM 35468 O2* C B1708 -804.693 -58.399 120.674 1.00852.32 O ATOM 35469 C1* C B1708 -804.226 -60.241 122.140 1.00852.32 C ATOM 35470 N1 C B1708 -803.883 -60.471 123.551 1.00852.32 N ATOM 35471 C2 C B1708 -804.631 -59.812 124.530 1.00852.32 C ATOM 35472 O2 C B1708 -805.559 -59.064 124.175 1.00852.32 O ATOM 35473 N3 C B1708 -804.325 -59.997 125.836 1.00852.32 N ATOM 35474 C4 C B1708 -803.318 -60.805 126.175 1.00852.32 C ATOM 35475 N4 C B1708 -803.044 -60.955 127.473 1.00852.32 N ATOM 35476 C5 C B1708 -802.539 -61.490 125.196 1.00852.32 C ATOM 35477 C6 C B1708 -802.855 -61.297 123.909 1.00852.32 C ATOM 35478 P U B1709 -801.306 -56.759 120.699 1.00852.32 P ATOM 35479 O1P U B1709 -801.533 -55.723 119.660 1.00852.32 O ATOM 35480 O2P U B1709 -799.920 -57.114 121.093 1.00852.32 O ATOM 35481 O5* U B1709 -802.110 -56.333 122.014 1.00852.32 O ATOM 35482 C5* U B1709 -803.139 -55.354 121.942 1.00852.32 C ATOM 35483 C4* U B1709 -803.574 -54.916 123.323 1.00852.32 C ATOM 35484 O4* U B1709 -803.895 -56.072 124.146 1.00852.32 O ATOM 35485 C3* U B1709 -802.524 -54.139 124.100 1.00852.32 C ATOM 35486 O3* U B1709 -802.561 -52.744 123.831 1.00852.32 O ATOM 35487 C2* U B1709 -802.909 -54.418 125.549 1.00852.32 C ATOM 35488 O2* U B1709 -803.944 -53.580 126.016 1.00852.32 O ATOM 35489 C1* U B1709 -803.426 -55.857 125.465 1.00852.32 C ATOM 35490 N1 U B1709 -802.355 -56.811 125.775 1.00852.32 N ATOM 35491 C2 U B1709 -801.970 -56.924 127.098 1.00852.32 C ATOM 35492 O2 U B1709 -802.521 -56.314 127.999 1.00852.32 O ATOM 35493 N3 U B1709 -800.922 -57.779 127.326 1.00852.32 N ATOM 35494 C4 U B1709 -800.238 -58.523 126.389 1.00852.32 C ATOM 35495 O4 U B1709 -799.274 -59.204 126.741 1.00852.32 O ATOM 35496 C5 U B1709 -800.712 -58.370 125.044 1.00852.32 C ATOM 35497 C6 U B1709 -801.731 -57.541 124.793 1.00852.32 C ATOM 35498 P U B1710 -801.251 -51.849 124.112 1.00852.32 P ATOM 35499 O1P U B1710 -800.579 -51.627 122.808 1.00852.32 O ATOM 35500 O2P U B1710 -800.499 -52.465 125.232 1.00852.32 O ATOM 35501 O5* U B1710 -801.844 -50.457 124.616 1.00852.32 O ATOM 35502 C5* U B1710 -800.992 -49.394 125.048 1.00852.32 C ATOM 35503 C4* U B1710 -801.819 -48.343 125.750 1.00852.32 C ATOM 35504 O4* U B1710 -802.845 -47.913 124.821 1.00852.32 O ATOM 35505 C3* U B1710 -802.552 -48.926 126.979 1.00852.32 C ATOM 35506 O3* U B1710 -801.952 -48.492 128.202 1.00852.32 O ATOM 35507 C2* U B1710 -803.973 -48.380 126.874 1.00852.32 C ATOM 35508 O2* U B1710 -804.129 -47.141 127.538 1.00852.32 O ATOM 35509 C1* U B1710 -804.126 -48.166 125.366 1.00852.32 C ATOM 35510 N1 U B1710 -804.709 -49.291 124.624 1.00852.32 N ATOM 35511 C2 U B1710 -804.839 -49.164 123.254 1.00852.32 C ATOM 35512 O2 U B1710 -804.528 -48.149 122.655 1.00852.32 O ATOM 35513 N3 U B1710 -805.345 -50.269 122.614 1.00852.32 N ATOM 35514 C4 U B1710 -805.730 -51.459 123.195 1.00852.32 C ATOM 35515 O4 U B1710 -806.095 -52.393 122.479 1.00852.32 O ATOM 35516 C5 U B1710 -805.591 -51.505 124.617 1.00852.32 C ATOM 35517 C6 U B1710 -805.098 -50.444 125.264 1.00852.32 C ATOM 35518 P C B1711 -800.740 -49.326 128.847 1.00852.32 P ATOM 35519 O1P C B1711 -799.920 -48.367 129.631 1.00852.32 O ATOM 35520 O2P C B1711 -800.102 -50.150 127.790 1.00852.32 O ATOM 35521 O5* C B1711 -801.452 -50.303 129.885 1.00852.32 O ATOM 35522 C5* C B1711 -802.858 -50.238 130.104 1.00852.32 C ATOM 35523 C4* C B1711 -803.326 -51.461 130.859 1.00852.32 C ATOM 35524 O4* C B1711 -803.001 -52.649 130.092 1.00852.32 O ATOM 35525 C3* C B1711 -802.702 -51.735 132.218 1.00852.32 C ATOM 35526 O3* C B1711 -803.350 -50.976 133.236 1.00852.32 O ATOM 35527 C2* C B1711 -802.911 -53.233 132.408 1.00852.32 C ATOM 35528 O2* C B1711 -804.183 -53.537 132.946 1.00852.32 O ATOM 35529 C1* C B1711 -802.839 -53.749 130.967 1.00852.32 C ATOM 35530 N1 C B1711 -801.581 -54.435 130.633 1.00852.32 N ATOM 35531 C2 C B1711 -801.479 -55.808 130.874 1.00852.32 C ATOM 35532 O2 C B1711 -802.443 -56.401 131.376 1.00852.32 O ATOM 35533 N3 C B1711 -800.332 -56.452 130.557 1.00852.32 N ATOM 35534 C4 C B1711 -799.314 -55.775 130.021 1.00852.32 C ATOM 35535 N4 C B1711 -798.205 -56.454 129.717 1.00852.32 N ATOM 35536 C5 C B1711 -799.389 -54.375 129.768 1.00852.32 C ATOM 35537 C6 C B1711 -800.531 -53.749 130.089 1.00852.32 C ATOM 35538 P G B1712 -802.562 -50.595 134.583 1.00852.32 P ATOM 35539 O1P G B1712 -802.482 -49.115 134.661 1.00852.32 O ATOM 35540 O2P G B1712 -801.316 -51.402 134.647 1.00852.32 O ATOM 35541 O5* G B1712 -803.538 -51.102 135.733 1.00852.32 O ATOM 35542 C5* G B1712 -804.237 -52.340 135.599 1.00852.32 C ATOM 35543 C4* G B1712 -805.723 -52.117 135.723 1.00852.32 C ATOM 35544 O4* G B1712 -806.091 -50.870 135.077 1.00852.32 O ATOM 35545 C3* G B1712 -806.610 -53.156 135.058 1.00852.32 C ATOM 35546 O3* G B1712 -806.809 -54.314 135.864 1.00852.32 O ATOM 35547 C2* G B1712 -807.913 -52.396 134.817 1.00852.32 C ATOM 35548 O2* G B1712 -808.764 -52.394 135.942 1.00852.32 O ATOM 35549 C1* G B1712 -807.406 -50.975 134.558 1.00852.32 C ATOM 35550 N9 G B1712 -807.398 -50.582 133.153 1.00852.32 N ATOM 35551 C8 G B1712 -807.753 -49.353 132.652 1.00852.32 C ATOM 35552 N7 G B1712 -807.654 -49.277 131.352 1.00852.32 N ATOM 35553 C5 G B1712 -807.207 -50.532 130.968 1.00852.32 C ATOM 35554 C6 G B1712 -806.914 -51.045 129.677 1.00852.32 C ATOM 35555 O6 G B1712 -806.998 -50.472 128.581 1.00852.32 O ATOM 35556 N1 G B1712 -806.486 -52.365 129.740 1.00852.32 N ATOM 35557 C2 G B1712 -806.357 -53.100 130.892 1.00852.32 C ATOM 35558 N2 G B1712 -805.930 -54.363 130.741 1.00852.32 N ATOM 35559 N3 G B1712 -806.623 -52.635 132.101 1.00852.32 N ATOM 35560 C4 G B1712 -807.042 -51.353 132.066 1.00852.32 C ATOM 35561 P G B1713 -807.238 -55.691 135.162 1.00852.32 P ATOM 35562 O1P G B1713 -807.584 -56.665 136.230 1.00852.32 O ATOM 35563 O2P G B1713 -806.212 -56.044 134.150 1.00852.32 O ATOM 35564 O5* G B1713 -808.578 -55.282 134.404 1.00852.32 O ATOM 35565 C5* G B1713 -809.440 -56.253 133.834 1.00852.32 C ATOM 35566 C4* G B1713 -809.860 -55.802 132.458 1.00852.32 C ATOM 35567 O4* G B1713 -808.712 -55.267 131.762 1.00852.32 O ATOM 35568 C3* G B1713 -810.397 -56.915 131.583 1.00852.32 C ATOM 35569 O3* G B1713 -811.801 -57.040 131.779 1.00852.32 O ATOM 35570 C2* G B1713 -810.012 -56.468 130.175 1.00852.32 C ATOM 35571 O2* G B1713 -810.952 -55.564 129.622 1.00852.32 O ATOM 35572 C1* G B1713 -808.689 -55.737 130.433 1.00852.32 C ATOM 35573 N9 G B1713 -807.503 -56.580 130.320 1.00852.32 N ATOM 35574 C8 G B1713 -806.844 -57.177 131.368 1.00852.32 C ATOM 35575 N7 G B1713 -805.792 -57.848 130.994 1.00852.32 N ATOM 35576 C5 G B1713 -805.754 -57.693 129.616 1.00852.32 C ATOM 35577 C6 G B1713 -804.833 -58.193 128.671 1.00852.32 C ATOM 35578 O6 G B1713 -803.833 -58.894 128.871 1.00852.32 O ATOM 35579 N1 G B1713 -805.166 -57.802 127.379 1.00852.32 N ATOM 35580 C2 G B1713 -806.245 -57.023 127.042 1.00852.32 C ATOM 35581 N2 G B1713 -806.389 -56.754 125.737 1.00852.32 N ATOM 35582 N3 G B1713 -807.114 -56.547 127.919 1.00852.32 N ATOM 35583 C4 G B1713 -806.810 -56.920 129.179 1.00852.32 C ATOM 35584 P A B1714 -812.482 -58.494 131.721 1.00852.32 P ATOM 35585 O1P A B1714 -813.698 -58.452 132.570 1.00852.32 O ATOM 35586 O2P A B1714 -811.435 -59.511 131.990 1.00852.32 O ATOM 35587 O5* A B1714 -812.942 -58.632 130.204 1.00852.32 O ATOM 35588 C5* A B1714 -812.987 -59.900 129.566 1.00852.32 C ATOM 35589 C4* A B1714 -812.231 -59.857 128.261 1.00852.32 C ATOM 35590 O4* A B1714 -810.997 -59.119 128.430 1.00852.32 O ATOM 35591 C3* A B1714 -811.816 -61.214 127.703 1.00852.32 C ATOM 35592 O3* A B1714 -812.848 -61.837 126.949 1.00852.32 O ATOM 35593 C2* A B1714 -810.598 -60.868 126.850 1.00852.32 C ATOM 35594 O2* A B1714 -810.954 -60.432 125.552 1.00852.32 O ATOM 35595 C1* A B1714 -809.985 -59.696 127.629 1.00852.32 C ATOM 35596 N9 A B1714 -808.864 -60.055 128.497 1.00852.32 N ATOM 35597 C8 A B1714 -808.673 -59.695 129.808 1.00852.32 C ATOM 35598 N7 A B1714 -807.550 -60.135 130.320 1.00852.32 N ATOM 35599 C5 A B1714 -806.964 -60.840 129.279 1.00852.32 C ATOM 35600 C6 A B1714 -805.755 -61.548 129.180 1.00852.32 C ATOM 35601 N6 A B1714 -804.873 -61.658 130.176 1.00852.32 N ATOM 35602 N1 A B1714 -805.470 -62.144 128.000 1.00852.32 N ATOM 35603 C2 A B1714 -806.351 -62.028 126.999 1.00852.32 C ATOM 35604 N3 A B1714 -807.515 -61.390 126.969 1.00852.32 N ATOM 35605 C4 A B1714 -807.769 -60.809 128.153 1.00852.32 C ATOM 35606 P A B1715 -813.290 -63.342 127.293 1.00852.32 P ATOM 35607 O1P A B1715 -812.057 -64.167 127.368 1.00852.32 O ATOM 35608 O2P A B1715 -814.377 -63.731 126.362 1.00852.32 O ATOM 35609 O5* A B1715 -813.912 -63.243 128.760 1.00852.32 O ATOM 35610 C5* A B1715 -814.737 -64.284 129.265 1.00852.32 C ATOM 35611 C4* A B1715 -814.505 -64.454 130.747 1.00852.32 C ATOM 35612 O4* A B1715 -813.138 -64.900 130.935 1.00852.32 O ATOM 35613 C3* A B1715 -814.583 -63.192 131.569 1.00852.32 C ATOM 35614 O3* A B1715 -815.940 -62.894 131.901 1.00852.32 O ATOM 35615 C2* A B1715 -813.718 -63.515 132.782 1.00852.32 C ATOM 35616 O2* A B1715 -814.418 -64.273 133.745 1.00852.32 O ATOM 35617 C1* A B1715 -812.637 -64.407 132.163 1.00852.32 C ATOM 35618 N9 A B1715 -811.370 -63.725 131.887 1.00852.32 N ATOM 35619 C8 A B1715 -811.155 -62.627 131.087 1.00852.32 C ATOM 35620 N7 A B1715 -809.893 -62.250 131.033 1.00852.32 N ATOM 35621 C5 A B1715 -809.247 -63.143 131.868 1.00852.32 C ATOM 35622 C6 A B1715 -807.907 -63.257 132.261 1.00852.32 C ATOM 35623 N6 A B1715 -806.951 -62.410 131.884 1.00852.32 N ATOM 35624 N1 A B1715 -807.578 -64.278 133.076 1.00852.32 N ATOM 35625 C2 A B1715 -808.546 -65.098 133.493 1.00852.32 C ATOM 35626 N3 A B1715 -809.847 -65.082 133.216 1.00852.32 N ATOM 35627 C4 A B1715 -810.139 -64.065 132.389 1.00852.32 C ATOM 35628 P G B1716 -816.298 -61.521 132.664 1.00852.32 P ATOM 35629 O1P G B1716 -817.710 -61.192 132.336 1.00852.32 O ATOM 35630 O2P G B1716 -815.233 -60.524 132.390 1.00852.32 O ATOM 35631 O5* G B1716 -816.235 -61.922 134.205 1.00852.32 O ATOM 35632 C5* G B1716 -815.324 -61.292 135.100 1.00852.32 C ATOM 35633 C4* G B1716 -815.568 -61.785 136.507 1.00852.32 C ATOM 35634 O4* G B1716 -816.916 -61.415 136.897 1.00852.32 O ATOM 35635 C3* G B1716 -815.509 -63.282 136.731 1.00852.32 C ATOM 35636 O3* G B1716 -814.163 -63.713 136.909 1.00852.32 O ATOM 35637 C2* G B1716 -816.383 -63.475 137.966 1.00852.32 C ATOM 35638 O2* G B1716 -815.682 -63.217 139.168 1.00852.32 O ATOM 35639 C1* G B1716 -817.454 -62.404 137.758 1.00852.32 C ATOM 35640 N9 G B1716 -818.661 -62.923 137.120 1.00852.32 N ATOM 35641 C8 G B1716 -818.763 -63.415 135.844 1.00852.32 C ATOM 35642 N7 G B1716 -819.971 -63.812 135.542 1.00852.32 N ATOM 35643 C5 G B1716 -820.709 -63.567 136.689 1.00852.32 C ATOM 35644 C6 G B1716 -822.083 -63.790 136.963 1.00852.32 C ATOM 35645 O6 G B1716 -822.948 -64.270 136.219 1.00852.32 O ATOM 35646 N1 G B1716 -822.418 -63.397 138.253 1.00852.32 N ATOM 35647 C2 G B1716 -821.547 -62.854 139.167 1.00852.32 C ATOM 35648 N2 G B1716 -822.063 -62.539 140.362 1.00852.32 N ATOM 35649 N3 G B1716 -820.264 -62.641 138.925 1.00852.32 N ATOM 35650 C4 G B1716 -819.916 -63.017 137.676 1.00852.32 C ATOM 35651 P A B1717 -813.813 -65.285 136.959 1.00852.32 P ATOM 35652 O1P A B1717 -814.316 -65.813 138.254 1.00852.32 O ATOM 35653 O2P A B1717 -812.376 -65.429 136.620 1.00852.32 O ATOM 35654 O5* A B1717 -814.660 -65.957 135.784 1.00852.32 O ATOM 35655 C5* A B1717 -814.599 -67.371 135.556 1.00852.32 C ATOM 35656 C4* A B1717 -814.953 -67.693 134.121 1.00852.32 C ATOM 35657 O4* A B1717 -814.155 -66.871 133.222 1.00852.32 O ATOM 35658 C3* A B1717 -814.624 -69.096 133.712 1.00852.32 C ATOM 35659 O3* A B1717 -815.704 -69.952 134.059 1.00852.32 O ATOM 35660 C2* A B1717 -814.448 -69.001 132.204 1.00852.32 C ATOM 35661 O2* A B1717 -815.676 -69.065 131.505 1.00852.32 O ATOM 35662 C1* A B1717 -813.829 -67.612 132.054 1.00852.32 C ATOM 35663 N9 A B1717 -812.373 -67.722 131.951 1.00852.32 N ATOM 35664 C8 A B1717 -811.485 -68.076 132.934 1.00852.32 C ATOM 35665 N7 A B1717 -810.241 -68.142 132.525 1.00852.32 N ATOM 35666 C5 A B1717 -810.313 -67.795 131.184 1.00852.32 C ATOM 35667 C6 A B1717 -809.334 -67.683 130.182 1.00852.32 C ATOM 35668 N6 A B1717 -808.036 -67.921 130.381 1.00852.32 N ATOM 35669 N1 A B1717 -809.739 -67.316 128.946 1.00852.32 N ATOM 35670 C2 A B1717 -811.044 -67.082 128.744 1.00852.32 C ATOM 35671 N3 A B1717 -812.056 -67.158 129.604 1.00852.32 N ATOM 35672 C4 A B1717 -811.620 -67.524 130.820 1.00852.32 C ATOM 35673 P A B1718 -815.437 -71.186 135.054 1.00852.32 P ATOM 35674 O1P A B1718 -816.740 -71.616 135.614 1.00852.32 O ATOM 35675 O2P A B1718 -814.325 -70.824 135.968 1.00852.32 O ATOM 35676 O5* A B1718 -814.910 -72.332 134.083 1.00852.32 O ATOM 35677 C5* A B1718 -815.398 -72.461 132.752 1.00852.32 C ATOM 35678 C4* A B1718 -814.287 -72.937 131.857 1.00852.32 C ATOM 35679 O4* A B1718 -813.246 -71.928 131.805 1.00852.32 O ATOM 35680 C3* A B1718 -813.600 -74.214 132.360 1.00852.32 C ATOM 35681 O3* A B1718 -814.234 -75.415 131.934 1.00852.32 O ATOM 35682 C2* A B1718 -812.182 -74.062 131.830 1.00852.32 C ATOM 35683 O2* A B1718 -812.087 -74.494 130.485 1.00852.32 O ATOM 35684 C1* A B1718 -811.973 -72.545 131.915 1.00852.32 C ATOM 35685 N9 A B1718 -811.337 -72.059 133.152 1.00852.32 N ATOM 35686 C8 A B1718 -811.886 -71.245 134.109 1.00852.32 C ATOM 35687 N7 A B1718 -811.055 -70.945 135.086 1.00852.32 N ATOM 35688 C5 A B1718 -809.892 -71.616 134.750 1.00852.32 C ATOM 35689 C6 A B1718 -808.631 -71.715 135.380 1.00852.32 C ATOM 35690 N6 A B1718 -808.295 -71.071 136.491 1.00852.32 N ATOM 35691 N1 A B1718 -807.709 -72.505 134.808 1.00852.32 N ATOM 35692 C2 A B1718 -808.018 -73.122 133.682 1.00852.32 C ATOM 35693 N3 A B1718 -809.144 -73.083 132.979 1.00852.32 N ATOM 35694 C4 A B1718 -810.056 -72.316 133.571 1.00852.32 C ATOM 35695 P G B1719 -814.968 -76.355 133.009 1.00852.32 P ATOM 35696 O1P G B1719 -815.205 -77.673 132.366 1.00852.32 O ATOM 35697 O2P G B1719 -816.101 -75.614 133.607 1.00852.32 O ATOM 35698 O5* G B1719 -813.869 -76.570 134.142 1.00852.32 O ATOM 35699 C5* G B1719 -812.790 -77.461 133.929 1.00852.32 C ATOM 35700 C4* G B1719 -811.902 -77.506 135.143 1.00852.32 C ATOM 35701 O4* G B1719 -811.418 -76.174 135.434 1.00852.32 O ATOM 35702 C3* G B1719 -812.484 -77.977 136.460 1.00852.32 C ATOM 35703 O3* G B1719 -812.547 -79.389 136.523 1.00852.32 O ATOM 35704 C2* G B1719 -811.501 -77.395 137.477 1.00852.32 C ATOM 35705 O2* G B1719 -810.330 -78.166 137.643 1.00852.32 O ATOM 35706 C1* G B1719 -811.090 -76.090 136.801 1.00852.32 C ATOM 35707 N9 G B1719 -811.685 -74.883 137.352 1.00852.32 N ATOM 35708 C8 G B1719 -812.694 -74.136 136.803 1.00852.32 C ATOM 35709 N7 G B1719 -813.030 -73.114 137.539 1.00852.32 N ATOM 35710 C5 G B1719 -812.186 -73.191 138.639 1.00852.32 C ATOM 35711 C6 G B1719 -812.089 -72.361 139.773 1.00852.32 C ATOM 35712 O6 G B1719 -812.764 -71.363 140.057 1.00852.32 O ATOM 35713 N1 G B1719 -811.091 -72.792 140.644 1.00852.32 N ATOM 35714 C2 G B1719 -810.293 -73.888 140.443 1.00852.32 C ATOM 35715 N2 G B1719 -809.387 -74.141 141.399 1.00852.32 N ATOM 35716 N3 G B1719 -810.378 -74.679 139.387 1.00852.32 N ATOM 35717 C4 G B1719 -811.340 -74.273 138.529 1.00852.32 C ATOM 35718 P G B1720 -813.552 -80.085 137.556 1.00852.32 P ATOM 35719 O1P G B1720 -813.527 -81.545 137.288 1.00852.32 O ATOM 35720 O2P G B1720 -814.836 -79.346 137.501 1.00852.32 O ATOM 35721 O5* G B1720 -812.866 -79.813 138.966 1.00852.32 O ATOM 35722 C5* G B1720 -811.807 -80.648 139.418 1.00852.32 C ATOM 35723 C4* G B1720 -811.280 -80.164 140.743 1.00852.32 C ATOM 35724 O4* G B1720 -810.829 -78.785 140.670 1.00852.32 O ATOM 35725 C3* G B1720 -812.273 -80.191 141.878 1.00852.32 C ATOM 35726 O3* G B1720 -812.346 -81.495 142.431 1.00852.32 O ATOM 35727 C2* G B1720 -811.688 -79.176 142.852 1.00852.32 C ATOM 35728 O2* G B1720 -810.641 -79.748 143.607 1.00852.32 O ATOM 35729 C1* G B1720 -811.105 -78.130 141.900 1.00852.32 C ATOM 35730 N9 G B1720 -812.040 -77.035 141.664 1.00852.32 N ATOM 35731 C8 G B1720 -812.854 -76.856 140.568 1.00852.32 C ATOM 35732 N7 G B1720 -813.606 -75.789 140.659 1.00852.32 N ATOM 35733 C5 G B1720 -813.267 -75.227 141.881 1.00852.32 C ATOM 35734 C6 G B1720 -813.758 -74.054 142.530 1.00852.32 C ATOM 35735 O6 G B1720 -814.623 -73.256 142.143 1.00852.32 O ATOM 35736 N1 G B1720 -813.137 -73.852 143.759 1.00852.32 N ATOM 35737 C2 G B1720 -812.176 -74.666 144.300 1.00852.32 C ATOM 35738 N2 G B1720 -811.705 -74.294 145.503 1.00852.32 N ATOM 35739 N3 G B1720 -811.710 -75.759 143.712 1.00852.32 N ATOM 35740 C4 G B1720 -812.295 -75.979 142.513 1.00852.32 C ATOM 35741 P G B1721 -813.753 -82.035 142.980 1.00852.32 P ATOM 35742 O1P G B1721 -813.621 -83.503 143.166 1.00852.32 O ATOM 35743 O2P G B1721 -814.846 -81.498 142.131 1.00852.32 O ATOM 35744 O5* G B1721 -813.859 -81.363 144.420 1.00852.32 O ATOM 35745 C5* G B1721 -813.350 -82.056 145.540 1.00852.32 C ATOM 35746 C4* G B1721 -813.549 -81.279 146.813 1.00852.32 C ATOM 35747 O4* G B1721 -812.919 -79.984 146.730 1.00852.32 O ATOM 35748 C3* G B1721 -814.978 -81.016 147.237 1.00852.32 C ATOM 35749 O3* G B1721 -815.525 -82.136 147.923 1.00852.32 O ATOM 35750 C2* G B1721 -814.811 -79.816 148.165 1.00852.32 C ATOM 35751 O2* G B1721 -814.417 -80.192 149.467 1.00852.32 O ATOM 35752 C1* G B1721 -813.656 -79.061 147.499 1.00852.32 C ATOM 35753 N9 G B1721 -814.120 -78.016 146.599 1.00852.32 N ATOM 35754 C8 G B1721 -814.192 -78.079 145.231 1.00852.32 C ATOM 35755 N7 G B1721 -814.658 -76.987 144.693 1.00852.32 N ATOM 35756 C5 G B1721 -814.906 -76.158 145.777 1.00852.32 C ATOM 35757 C6 G B1721 -815.422 -74.838 145.820 1.00852.32 C ATOM 35758 O6 G B1721 -815.773 -74.118 144.881 1.00852.32 O ATOM 35759 N1 G B1721 -815.511 -74.372 147.128 1.00852.32 N ATOM 35760 C2 G B1721 -815.150 -75.079 148.249 1.00852.32 C ATOM 35761 N2 G B1721 -815.310 -74.456 149.423 1.00852.32 N ATOM 35762 N3 G B1721 -814.670 -76.309 148.218 1.00852.32 N ATOM 35763 C4 G B1721 -814.573 -76.779 146.958 1.00852.32 C ATOM 35764 P G B1722 -817.121 -82.336 147.967 1.00852.32 P ATOM 35765 O1P G B1722 -817.386 -83.654 148.602 1.00852.32 O ATOM 35766 O2P G B1722 -817.654 -82.056 146.610 1.00852.32 O ATOM 35767 O5* G B1722 -817.619 -81.192 148.958 1.00852.32 O ATOM 35768 C5* G B1722 -817.227 -81.205 150.327 1.00852.32 C ATOM 35769 C4* G B1722 -817.581 -79.900 151.003 1.00852.32 C ATOM 35770 O4* G B1722 -817.122 -78.779 150.204 1.00852.32 O ATOM 35771 C3* G B1722 -819.065 -79.639 151.259 1.00852.32 C ATOM 35772 O3* G B1722 -819.541 -80.237 152.461 1.00852.32 O ATOM 35773 C2* G B1722 -819.117 -78.117 151.330 1.00852.32 C ATOM 35774 O2* G B1722 -818.754 -77.625 152.604 1.00852.32 O ATOM 35775 C1* G B1722 -818.047 -77.712 150.316 1.00852.32 C ATOM 35776 N9 G B1722 -818.597 -77.411 148.997 1.00852.32 N ATOM 35777 C8 G B1722 -818.801 -78.280 147.951 1.00852.32 C ATOM 35778 N7 G B1722 -819.318 -77.703 146.899 1.00852.32 N ATOM 35779 C5 G B1722 -819.462 -76.372 147.273 1.00852.32 C ATOM 35780 C6 G B1722 -819.966 -75.256 146.548 1.00852.32 C ATOM 35781 O6 G B1722 -820.401 -75.216 145.390 1.00852.32 O ATOM 35782 N1 G B1722 -819.934 -74.092 147.309 1.00852.32 N ATOM 35783 C2 G B1722 -819.475 -74.005 148.599 1.00852.32 C ATOM 35784 N2 G B1722 -819.529 -72.793 149.169 1.00852.32 N ATOM 35785 N3 G B1722 -818.997 -75.033 149.285 1.00852.32 N ATOM 35786 C4 G B1722 -819.020 -76.175 148.565 1.00852.32 C ATOM 35787 P U B1723 -821.114 -80.509 152.651 1.00852.32 P ATOM 35788 O1P U B1723 -821.278 -81.242 153.931 1.00852.32 O ATOM 35789 O2P U B1723 -821.643 -81.098 151.397 1.00852.32 O ATOM 35790 O5* U B1723 -821.749 -79.057 152.834 1.00852.32 O ATOM 35791 C5* U B1723 -821.552 -78.326 154.039 1.00852.32 C ATOM 35792 C4* U B1723 -821.906 -76.874 153.836 1.00852.32 C ATOM 35793 O4* U B1723 -821.179 -76.381 152.686 1.00852.32 O ATOM 35794 C3* U B1723 -823.375 -76.548 153.564 1.00852.32 C ATOM 35795 O3* U B1723 -824.093 -76.344 154.780 1.00852.32 O ATOM 35796 C2* U B1723 -823.282 -75.265 152.745 1.00852.32 C ATOM 35797 O2* U B1723 -823.158 -74.107 153.545 1.00852.32 O ATOM 35798 C1* U B1723 -821.990 -75.480 151.966 1.00852.32 C ATOM 35799 N1 U B1723 -822.226 -76.023 150.623 1.00852.32 N ATOM 35800 C2 U B1723 -822.499 -75.105 149.642 1.00852.32 C ATOM 35801 O2 U B1723 -822.513 -73.904 149.871 1.00852.32 O ATOM 35802 N3 U B1723 -822.750 -75.634 148.400 1.00852.32 N ATOM 35803 C4 U B1723 -822.745 -76.970 148.055 1.00852.32 C ATOM 35804 O4 U B1723 -823.024 -77.293 146.901 1.00852.32 O ATOM 35805 C5 U B1723 -822.434 -77.867 149.131 1.00852.32 C ATOM 35806 C6 U B1723 -822.193 -77.373 150.352 1.00852.32 C ATOM 35807 P C B1724 -825.574 -75.708 154.749 1.00852.32 P ATOM 35808 O1P C B1724 -826.062 -75.729 153.344 1.00852.32 O ATOM 35809 O2P C B1724 -825.521 -74.418 155.481 1.00852.32 O ATOM 35810 O5* C B1724 -826.470 -76.713 155.597 1.00852.32 O ATOM 35811 C5* C B1724 -827.884 -76.545 155.673 1.00852.32 C ATOM 35812 C4* C B1724 -828.541 -77.821 156.148 1.00852.32 C ATOM 35813 O4* C B1724 -828.110 -78.914 155.304 1.00852.32 O ATOM 35814 C3* C B1724 -828.258 -78.315 157.563 1.00852.32 C ATOM 35815 O3* C B1724 -829.112 -77.678 158.510 1.00852.32 O ATOM 35816 C2* C B1724 -828.561 -79.805 157.471 1.00852.32 C ATOM 35817 O2* C B1724 -829.931 -80.102 157.630 1.00852.32 O ATOM 35818 C1* C B1724 -828.137 -80.126 156.037 1.00852.32 C ATOM 35819 N1 C B1724 -826.804 -80.740 155.957 1.00852.32 N ATOM 35820 C2 C B1724 -826.652 -82.063 156.379 1.00852.32 C ATOM 35821 O2 C B1724 -827.651 -82.682 156.783 1.00852.32 O ATOM 35822 N3 C B1724 -825.433 -82.634 156.336 1.00852.32 N ATOM 35823 C4 C B1724 -824.386 -81.932 155.898 1.00852.32 C ATOM 35824 N4 C B1724 -823.203 -82.521 155.907 1.00852.32 N ATOM 35825 C5 C B1724 -824.513 -80.589 155.443 1.00852.32 C ATOM 35826 C6 C B1724 -825.730 -80.038 155.491 1.00852.32 C ATOM 35827 P C B1725 -828.598 -77.440 160.019 1.00852.32 P ATOM 35828 O1P C B1725 -829.722 -76.820 160.767 1.00852.32 O ATOM 35829 O2P C B1725 -827.284 -76.753 159.965 1.00852.32 O ATOM 35830 O5* C B1725 -828.369 -78.906 160.601 1.00852.32 O ATOM 35831 C5* C B1725 -829.471 -79.786 160.822 1.00852.32 C ATOM 35832 C4* C B1725 -828.975 -81.156 161.223 1.00852.32 C ATOM 35833 O4* C B1725 -828.042 -81.623 160.213 1.00852.32 O ATOM 35834 C3* C B1725 -828.145 -81.265 162.481 1.00852.32 C ATOM 35835 O3* C B1725 -828.994 -81.315 163.620 1.00852.32 O ATOM 35836 C2* C B1725 -827.374 -82.568 162.292 1.00852.32 C ATOM 35837 O2* C B1725 -828.121 -83.704 162.673 1.00852.32 O ATOM 35838 C1* C B1725 -827.160 -82.580 160.779 1.00852.32 C ATOM 35839 N1 C B1725 -825.786 -82.196 160.433 1.00852.32 N ATOM 35840 C2 C B1725 -824.913 -83.172 159.961 1.00852.32 C ATOM 35841 O2 C B1725 -825.335 -84.330 159.814 1.00852.32 O ATOM 35842 N3 C B1725 -823.636 -82.834 159.670 1.00852.32 N ATOM 35843 C4 C B1725 -823.225 -81.576 159.837 1.00852.32 C ATOM 35844 N4 C B1725 -821.950 -81.293 159.551 1.00852.32 N ATOM 35845 C5 C B1725 -824.096 -80.554 160.306 1.00852.32 C ATOM 35846 C6 C B1725 -825.358 -80.906 160.590 1.00852.32 C ATOM 35847 P C B1726 -828.525 -80.604 164.984 1.00852.32 P ATOM 35848 O1P C B1726 -829.733 -80.397 165.820 1.00852.32 O ATOM 35849 O2P C B1726 -827.666 -79.446 164.641 1.00852.32 O ATOM 35850 O5* C B1726 -827.617 -81.703 165.696 1.00852.32 O ATOM 35851 C5* C B1726 -828.140 -82.497 166.755 1.00852.32 C ATOM 35852 C4* C B1726 -827.028 -83.232 167.476 1.00852.32 C ATOM 35853 O4* C B1726 -826.362 -84.149 166.564 1.00852.32 O ATOM 35854 C3* C B1726 -825.895 -82.391 168.005 1.00852.32 C ATOM 35855 O3* C B1726 -826.246 -81.781 169.239 1.00852.32 O ATOM 35856 C2* C B1726 -824.772 -83.403 168.164 1.00852.32 C ATOM 35857 O2* C B1726 -824.900 -84.153 169.356 1.00852.32 O ATOM 35858 C1* C B1726 -825.009 -84.320 166.964 1.00852.32 C ATOM 35859 N1 C B1726 -824.135 -83.944 165.840 1.00852.32 N ATOM 35860 C2 C B1726 -822.958 -84.679 165.621 1.00852.32 C ATOM 35861 O2 C B1726 -822.706 -85.647 166.355 1.00852.32 O ATOM 35862 N3 C B1726 -822.129 -84.317 164.617 1.00852.32 N ATOM 35863 C4 C B1726 -822.437 -83.271 163.844 1.00852.32 C ATOM 35864 N4 C B1726 -821.580 -82.937 162.875 1.00852.32 N ATOM 35865 C5 C B1726 -823.633 -82.518 164.033 1.00852.32 C ATOM 35866 C6 C B1726 -824.448 -82.891 165.030 1.00852.32 C ATOM 35867 P C B1727 -825.594 -80.363 169.627 1.00852.32 P ATOM 35868 O1P C B1727 -826.065 -80.007 170.989 1.00852.32 O ATOM 35869 O2P C B1727 -825.831 -79.429 168.500 1.00852.32 O ATOM 35870 O5* C B1727 -824.032 -80.665 169.702 1.00852.32 O ATOM 35871 C5* C B1727 -823.506 -81.519 170.713 1.00852.32 C ATOM 35872 C4* C B1727 -822.020 -81.722 170.528 1.00852.32 C ATOM 35873 O4* C B1727 -821.757 -82.337 169.241 1.00852.32 O ATOM 35874 C3* C B1727 -821.128 -80.495 170.536 1.00852.32 C ATOM 35875 O3* C B1727 -820.830 -80.092 171.866 1.00852.32 O ATOM 35876 C2* C B1727 -819.874 -80.981 169.815 1.00852.32 C ATOM 35877 O2* C B1727 -818.975 -81.650 170.679 1.00852.32 O ATOM 35878 C1* C B1727 -820.453 -81.983 168.812 1.00852.32 C ATOM 35879 N1 C B1727 -820.526 -81.435 167.450 1.00852.32 N ATOM 35880 C2 C B1727 -819.846 -82.103 166.432 1.00852.32 C ATOM 35881 O2 C B1727 -819.230 -83.143 166.713 1.00852.32 O ATOM 35882 N3 C B1727 -819.874 -81.607 165.176 1.00852.32 N ATOM 35883 C4 C B1727 -820.552 -80.487 164.921 1.00852.32 C ATOM 35884 N4 C B1727 -820.549 -80.028 163.665 1.00852.32 N ATOM 35885 C5 C B1727 -821.265 -79.787 165.938 1.00852.32 C ATOM 35886 C6 C B1727 -821.225 -80.294 167.178 1.00852.32 C ATOM 35887 P A B1728 -819.947 -78.771 172.112 1.00852.32 P ATOM 35888 O1P A B1728 -820.413 -78.148 173.377 1.00852.32 O ATOM 35889 O2P A B1728 -819.940 -77.971 170.861 1.00852.32 O ATOM 35890 O5* A B1728 -818.472 -79.326 172.349 1.00852.32 O ATOM 35891 C5* A B1728 -818.123 -79.966 173.575 1.00852.32 C ATOM 35892 C4* A B1728 -816.623 -79.986 173.746 1.00852.32 C ATOM 35893 O4* A B1728 -816.041 -80.971 172.850 1.00852.32 O ATOM 35894 C3* A B1728 -815.922 -78.692 173.387 1.00852.32 C ATOM 35895 O3* A B1728 -815.943 -77.775 174.472 1.00852.32 O ATOM 35896 C2* A B1728 -814.517 -79.153 173.039 1.00852.32 C ATOM 35897 O2* A B1728 -813.702 -79.338 174.177 1.00852.32 O ATOM 35898 C1* A B1728 -814.792 -80.499 172.371 1.00852.32 C ATOM 35899 N9 A B1728 -814.883 -80.365 170.918 1.00852.32 N ATOM 35900 C8 A B1728 -816.015 -80.370 170.141 1.00852.32 C ATOM 35901 N7 A B1728 -815.779 -80.194 168.864 1.00852.32 N ATOM 35902 C5 A B1728 -814.397 -80.078 168.793 1.00852.32 C ATOM 35903 C6 A B1728 -813.517 -79.873 167.716 1.00852.32 C ATOM 35904 N6 A B1728 -813.910 -79.742 166.448 1.00852.32 N ATOM 35905 N1 A B1728 -812.197 -79.806 167.988 1.00852.32 N ATOM 35906 C2 A B1728 -811.798 -79.933 169.261 1.00852.32 C ATOM 35907 N3 A B1728 -812.527 -80.123 170.358 1.00852.32 N ATOM 35908 C4 A B1728 -813.833 -80.188 170.052 1.00852.32 C ATOM 35909 P C B1729 -816.880 -76.472 174.386 1.00852.32 P ATOM 35910 O1P C B1729 -816.688 -75.698 175.640 1.00852.32 O ATOM 35911 O2P C B1729 -818.244 -76.909 173.996 1.00852.32 O ATOM 35912 O5* C B1729 -816.257 -75.635 173.179 1.00852.32 O ATOM 35913 C5* C B1729 -815.107 -74.820 173.383 1.00852.32 C ATOM 35914 C4* C B1729 -814.824 -73.981 172.156 1.00852.32 C ATOM 35915 O4* C B1729 -814.593 -74.837 171.008 1.00852.32 O ATOM 35916 C3* C B1729 -815.939 -73.061 171.701 1.00852.32 C ATOM 35917 O3* C B1729 -815.934 -71.849 172.443 1.00852.32 O ATOM 35918 C2* C B1729 -815.603 -72.822 170.235 1.00852.32 C ATOM 35919 O2* C B1729 -814.646 -71.797 170.057 1.00852.32 O ATOM 35920 C1* C B1729 -814.996 -74.165 169.824 1.00852.32 C ATOM 35921 N1 C B1729 -815.961 -75.007 169.103 1.00852.32 N ATOM 35922 C2 C B1729 -815.715 -75.313 167.760 1.00852.32 C ATOM 35923 O2 C B1729 -814.678 -74.882 167.227 1.00852.32 O ATOM 35924 N3 C B1729 -816.606 -76.062 167.072 1.00852.32 N ATOM 35925 C4 C B1729 -817.709 -76.508 167.680 1.00852.32 C ATOM 35926 N4 C B1729 -818.569 -77.236 166.966 1.00852.32 N ATOM 35927 C5 C B1729 -817.979 -76.222 169.054 1.00852.32 C ATOM 35928 C6 C B1729 -817.088 -75.479 169.720 1.00852.32 C ATOM 35929 P G B1730 -816.987 -70.691 172.079 1.00852.32 P ATOM 35930 O1P G B1730 -817.181 -69.858 173.293 1.00852.32 O ATOM 35931 O2P G B1730 -818.163 -71.323 171.426 1.00852.32 O ATOM 35932 O5* G B1730 -816.231 -69.806 170.988 1.00852.32 O ATOM 35933 C5* G B1730 -816.419 -68.395 170.933 1.00852.32 C ATOM 35934 C4* G B1730 -815.411 -67.770 169.995 1.00852.32 C ATOM 35935 O4* G B1730 -815.366 -68.532 168.762 1.00852.32 O ATOM 35936 C3* G B1730 -815.663 -66.354 169.552 1.00852.32 C ATOM 35937 O3* G B1730 -815.167 -65.447 170.528 1.00852.32 O ATOM 35938 C2* G B1730 -814.909 -66.262 168.232 1.00852.32 C ATOM 35939 O2* G B1730 -813.532 -66.004 168.415 1.00852.32 O ATOM 35940 C1* G B1730 -815.109 -67.670 167.668 1.00852.32 C ATOM 35941 N9 G B1730 -816.264 -67.727 166.780 1.00852.32 N ATOM 35942 C8 G B1730 -817.579 -67.847 167.155 1.00852.32 C ATOM 35943 N7 G B1730 -818.404 -67.849 166.146 1.00852.32 N ATOM 35944 C5 G B1730 -817.586 -67.723 165.033 1.00852.32 C ATOM 35945 C6 G B1730 -817.918 -67.659 163.652 1.00852.32 C ATOM 35946 O6 G B1730 -819.035 -67.704 163.124 1.00852.32 O ATOM 35947 N1 G B1730 -816.782 -67.531 162.862 1.00852.32 N ATOM 35948 C2 G B1730 -815.494 -67.469 163.331 1.00852.32 C ATOM 35949 N2 G B1730 -814.537 -67.342 162.404 1.00852.32 N ATOM 35950 N3 G B1730 -815.170 -67.524 164.616 1.00852.32 N ATOM 35951 C4 G B1730 -816.261 -67.649 165.406 1.00852.32 C ATOM 35952 P C B1731 -815.985 -64.093 170.833 1.00852.32 P ATOM 35953 O1P C B1731 -815.332 -63.431 171.991 1.00852.32 O ATOM 35954 O2P C B1731 -817.429 -64.429 170.898 1.00852.32 O ATOM 35955 O5* C B1731 -815.738 -63.197 169.539 1.00852.32 O ATOM 35956 C5* C B1731 -815.087 -61.937 169.640 1.00852.32 C ATOM 35957 C4* C B1731 -815.796 -60.903 168.794 1.00852.32 C ATOM 35958 O4* C B1731 -815.519 -61.147 167.387 1.00852.32 O ATOM 35959 C3* C B1731 -817.299 -60.897 168.839 1.00852.32 C ATOM 35960 O3* C B1731 -817.774 -60.221 169.991 1.00852.32 O ATOM 35961 C2* C B1731 -817.678 -60.180 167.551 1.00852.32 C ATOM 35962 O2* C B1731 -817.586 -58.771 167.665 1.00852.32 O ATOM 35963 C1* C B1731 -816.609 -60.701 166.594 1.00852.32 C ATOM 35964 N1 C B1731 -817.152 -61.858 165.870 1.00852.32 N ATOM 35965 C2 C B1731 -817.814 -61.653 164.652 1.00852.32 C ATOM 35966 O2 C B1731 -817.881 -60.507 164.184 1.00852.32 O ATOM 35967 N3 C B1731 -818.369 -62.712 164.021 1.00852.32 N ATOM 35968 C4 C B1731 -818.273 -63.935 164.551 1.00852.32 C ATOM 35969 N4 C B1731 -818.853 -64.946 163.910 1.00852.32 N ATOM 35970 C5 C B1731 -817.579 -64.169 165.773 1.00852.32 C ATOM 35971 C6 C B1731 -817.039 -63.118 166.389 1.00852.32 C ATOM 35972 P U B1732 -819.338 -60.308 170.353 1.00852.32 P ATOM 35973 O1P U B1732 -820.004 -59.101 169.804 1.00852.32 O ATOM 35974 O2P U B1732 -819.455 -60.613 171.805 1.00852.32 O ATOM 35975 O5* U B1732 -819.834 -61.581 169.536 1.00852.32 O ATOM 35976 C5* U B1732 -819.736 -62.905 170.073 1.00852.32 C ATOM 35977 C4* U B1732 -820.095 -63.920 169.009 1.00852.32 C ATOM 35978 O4* U B1732 -819.626 -65.225 169.437 1.00852.32 O ATOM 35979 C3* U B1732 -821.575 -64.192 168.776 1.00852.32 C ATOM 35980 O3* U B1732 -822.176 -63.231 167.913 1.00852.32 O ATOM 35981 C2* U B1732 -821.592 -65.579 168.143 1.00852.32 C ATOM 35982 O2* U B1732 -821.401 -65.539 166.743 1.00852.32 O ATOM 35983 C1* U B1732 -820.390 -66.242 168.809 1.00852.32 C ATOM 35984 N1 U B1732 -820.801 -67.213 169.835 1.00852.32 N ATOM 35985 C2 U B1732 -821.091 -68.499 169.420 1.00852.32 C ATOM 35986 O2 U B1732 -821.005 -68.855 168.259 1.00852.32 O ATOM 35987 N3 U B1732 -821.484 -69.354 170.422 1.00852.32 N ATOM 35988 C4 U B1732 -821.614 -69.061 171.762 1.00852.32 C ATOM 35989 O4 U B1732 -821.993 -69.934 172.541 1.00852.32 O ATOM 35990 C5 U B1732 -821.289 -67.708 172.112 1.00852.32 C ATOM 35991 C6 U B1732 -820.903 -66.855 171.158 1.00852.32 C ATOM 35992 P U B1733 -823.589 -62.575 168.312 1.00852.32 P ATOM 35993 O1P U B1733 -824.132 -61.921 167.096 1.00852.32 O ATOM 35994 O2P U B1733 -823.404 -61.779 169.555 1.00852.32 O ATOM 35995 O5* U B1733 -824.514 -63.830 168.652 1.00852.32 O ATOM 35996 C5* U B1733 -825.856 -63.909 168.177 1.00852.32 C ATOM 35997 C4* U B1733 -826.824 -63.626 169.302 1.00852.32 C ATOM 35998 O4* U B1733 -826.394 -62.425 169.996 1.00852.32 O ATOM 35999 C3* U B1733 -828.208 -63.240 168.862 1.00852.32 C ATOM 36000 O3* U B1733 -828.949 -64.439 168.682 1.00852.32 O ATOM 36001 C2* U B1733 -828.775 -62.392 169.993 1.00852.32 C ATOM 36002 O2* U B1733 -829.449 -63.165 170.966 1.00852.32 O ATOM 36003 C1* U B1733 -827.504 -61.795 170.605 1.00852.32 C ATOM 36004 N1 U B1733 -827.373 -60.345 170.377 1.00852.32 N ATOM 36005 C2 U B1733 -827.354 -59.510 171.477 1.00852.32 C ATOM 36006 O2 U B1733 -827.439 -59.922 172.624 1.00852.32 O ATOM 36007 N3 U B1733 -827.231 -58.175 171.190 1.00852.32 N ATOM 36008 C4 U B1733 -827.128 -57.603 169.937 1.00852.32 C ATOM 36009 O4 U B1733 -827.018 -56.379 169.837 1.00852.32 O ATOM 36010 C5 U B1733 -827.158 -58.534 168.852 1.00852.32 C ATOM 36011 C6 U B1733 -827.275 -59.838 169.101 1.00852.32 C ATOM 36012 P C B1734 -829.363 -64.906 167.201 1.00852.32 P ATOM 36013 O1P C B1734 -830.354 -63.929 166.683 1.00852.32 O ATOM 36014 O2P C B1734 -829.712 -66.349 167.247 1.00852.32 O ATOM 36015 O5* C B1734 -828.022 -64.742 166.357 1.00852.32 O ATOM 36016 C5* C B1734 -827.462 -65.851 165.662 1.00852.32 C ATOM 36017 C4* C B1734 -827.312 -65.531 164.197 1.00852.32 C ATOM 36018 O4* C B1734 -826.852 -64.161 164.047 1.00852.32 O ATOM 36019 C3* C B1734 -826.307 -66.353 163.402 1.00852.32 C ATOM 36020 O3* C B1734 -826.812 -67.615 162.979 1.00852.32 O ATOM 36021 C2* C B1734 -825.966 -65.430 162.238 1.00852.32 C ATOM 36022 O2* C B1734 -826.919 -65.495 161.194 1.00852.32 O ATOM 36023 C1* C B1734 -826.020 -64.055 162.904 1.00852.32 C ATOM 36024 N1 C B1734 -824.694 -63.591 163.338 1.00852.32 N ATOM 36025 C2 C B1734 -823.979 -62.715 162.513 1.00852.32 C ATOM 36026 O2 C B1734 -824.493 -62.345 161.448 1.00852.32 O ATOM 36027 N3 C B1734 -822.753 -62.298 162.898 1.00852.32 N ATOM 36028 C4 C B1734 -822.237 -62.719 164.057 1.00852.32 C ATOM 36029 N4 C B1734 -821.020 -62.285 164.394 1.00852.32 N ATOM 36030 C5 C B1734 -822.947 -63.604 164.919 1.00852.32 C ATOM 36031 C6 C B1734 -824.161 -64.011 164.525 1.00852.32 C ATOM 36032 P G B1735 -825.780 -68.789 162.607 1.00852.32 P ATOM 36033 O1P G B1735 -826.547 -69.841 161.887 1.00852.32 O ATOM 36034 O2P G B1735 -825.016 -69.142 163.827 1.00852.32 O ATOM 36035 O5* G B1735 -824.793 -68.090 161.571 1.00852.32 O ATOM 36036 C5* G B1735 -823.800 -68.836 160.872 1.00852.32 C ATOM 36037 C4* G B1735 -823.315 -68.052 159.673 1.00852.32 C ATOM 36038 O4* G B1735 -822.534 -66.914 160.128 1.00852.32 O ATOM 36039 C3* G B1735 -822.351 -68.748 158.742 1.00852.32 C ATOM 36040 O3* G B1735 -823.050 -69.608 157.853 1.00852.32 O ATOM 36041 C2* G B1735 -821.670 -67.596 158.019 1.00852.32 C ATOM 36042 O2* G B1735 -822.430 -67.109 156.933 1.00852.32 O ATOM 36043 C1* G B1735 -821.610 -66.536 159.122 1.00852.32 C ATOM 36044 N9 G B1735 -820.279 -66.495 159.719 1.00852.32 N ATOM 36045 C8 G B1735 -819.387 -67.531 159.834 1.00852.32 C ATOM 36046 N7 G B1735 -818.253 -67.172 160.374 1.00852.32 N ATOM 36047 C5 G B1735 -818.411 -65.819 160.641 1.00852.32 C ATOM 36048 C6 G B1735 -817.512 -64.887 161.218 1.00852.32 C ATOM 36049 O6 G B1735 -816.359 -65.073 161.607 1.00852.32 O ATOM 36050 N1 G B1735 -818.081 -63.620 161.315 1.00852.32 N ATOM 36051 C2 G B1735 -819.346 -63.289 160.903 1.00852.32 C ATOM 36052 N2 G B1735 -819.710 -62.010 161.087 1.00852.32 N ATOM 36053 N3 G B1735 -820.193 -64.149 160.355 1.00852.32 N ATOM 36054 C4 G B1735 -819.663 -65.389 160.258 1.00852.32 C ATOM 36055 P C B1736 -822.471 -71.082 157.557 1.00852.32 P ATOM 36056 O1P C B1736 -823.368 -71.714 156.558 1.00852.32 O ATOM 36057 O2P C B1736 -822.241 -71.752 158.860 1.00852.32 O ATOM 36058 O5* C B1736 -821.055 -70.827 156.868 1.00852.32 O ATOM 36059 C5* C B1736 -820.038 -71.824 156.904 1.00852.32 C ATOM 36060 C4* C B1736 -818.663 -71.187 156.866 1.00852.32 C ATOM 36061 O4* C B1736 -818.611 -70.099 157.826 1.00852.32 O ATOM 36062 C3* C B1736 -817.488 -72.093 157.222 1.00852.32 C ATOM 36063 O3* C B1736 -816.985 -72.798 156.093 1.00852.32 O ATOM 36064 C2* C B1736 -816.452 -71.105 157.748 1.00852.32 C ATOM 36065 O2* C B1736 -815.713 -70.496 156.710 1.00852.32 O ATOM 36066 C1* C B1736 -817.331 -70.054 158.428 1.00852.32 C ATOM 36067 N1 C B1736 -817.473 -70.288 159.873 1.00852.32 N ATOM 36068 C2 C B1736 -816.425 -69.911 160.718 1.00852.32 C ATOM 36069 O2 C B1736 -815.420 -69.378 160.224 1.00852.32 O ATOM 36070 N3 C B1736 -816.533 -70.135 162.048 1.00852.32 N ATOM 36071 C4 C B1736 -817.634 -70.708 162.539 1.00852.32 C ATOM 36072 N4 C B1736 -817.695 -70.912 163.857 1.00852.32 N ATOM 36073 C5 C B1736 -818.719 -71.097 161.702 1.00852.32 C ATOM 36074 C6 C B1736 -818.598 -70.870 160.388 1.00852.32 C ATOM 36075 P G B1737 -816.285 -74.234 156.292 1.00852.32 P ATOM 36076 O1P G B1737 -815.370 -74.443 155.140 1.00852.32 O ATOM 36077 O2P G B1737 -817.345 -75.234 156.576 1.00852.32 O ATOM 36078 O5* G B1737 -815.392 -74.073 157.606 1.00852.32 O ATOM 36079 C5* G B1737 -814.117 -73.432 157.554 1.00852.32 C ATOM 36080 C4* G B1737 -813.515 -73.337 158.941 1.00852.32 C ATOM 36081 O4* G B1737 -814.534 -72.897 159.873 1.00852.32 O ATOM 36082 C3* G B1737 -812.978 -74.609 159.572 1.00852.32 C ATOM 36083 O3* G B1737 -811.657 -74.883 159.119 1.00852.32 O ATOM 36084 C2* G B1737 -813.013 -74.294 161.063 1.00852.32 C ATOM 36085 O2* G B1737 -811.877 -73.572 161.490 1.00852.32 O ATOM 36086 C1* G B1737 -814.254 -73.405 161.167 1.00852.32 C ATOM 36087 N9 G B1737 -815.432 -74.129 161.626 1.00852.32 N ATOM 36088 C8 G B1737 -816.172 -75.033 160.906 1.00852.32 C ATOM 36089 N7 G B1737 -817.175 -75.529 161.578 1.00852.32 N ATOM 36090 C5 G B1737 -817.093 -74.919 162.821 1.00852.32 C ATOM 36091 C6 G B1737 -817.914 -75.061 163.969 1.00852.32 C ATOM 36092 O6 G B1737 -818.911 -75.778 164.122 1.00852.32 O ATOM 36093 N1 G B1737 -817.475 -74.255 165.014 1.00852.32 N ATOM 36094 C2 G B1737 -816.389 -73.420 164.962 1.00852.32 C ATOM 36095 N2 G B1737 -816.131 -72.726 166.083 1.00852.32 N ATOM 36096 N3 G B1737 -815.614 -73.274 163.897 1.00852.32 N ATOM 36097 C4 G B1737 -816.021 -74.049 162.870 1.00852.32 C ATOM 36098 P U B1738 -811.323 -76.303 158.436 1.00852.32 P ATOM 36099 O1P U B1738 -810.562 -76.026 157.192 1.00852.32 O ATOM 36100 O2P U B1738 -812.573 -77.098 158.369 1.00852.32 O ATOM 36101 O5* U B1738 -810.334 -77.011 159.467 1.00852.32 O ATOM 36102 C5* U B1738 -809.040 -77.446 159.058 1.00852.32 C ATOM 36103 C4* U B1738 -808.480 -78.437 160.053 1.00852.32 C ATOM 36104 O4* U B1738 -808.262 -77.770 161.324 1.00852.32 O ATOM 36105 C3* U B1738 -809.336 -79.637 160.420 1.00852.32 C ATOM 36106 O3* U B1738 -809.245 -80.669 159.441 1.00852.32 O ATOM 36107 C2* U B1738 -808.764 -80.054 161.768 1.00852.32 C ATOM 36108 O2* U B1738 -807.598 -80.846 161.647 1.00852.32 O ATOM 36109 C1* U B1738 -808.405 -78.700 162.383 1.00852.32 C ATOM 36110 N1 U B1738 -809.462 -78.210 163.281 1.00852.32 N ATOM 36111 C2 U B1738 -809.645 -78.861 164.487 1.00852.32 C ATOM 36112 O2 U B1738 -808.961 -79.803 164.839 1.00852.32 O ATOM 36113 N3 U B1738 -810.666 -78.364 165.260 1.00852.32 N ATOM 36114 C4 U B1738 -811.497 -77.305 164.962 1.00852.32 C ATOM 36115 O4 U B1738 -812.387 -76.993 165.755 1.00852.32 O ATOM 36116 C5 U B1738 -811.233 -76.677 163.705 1.00852.32 C ATOM 36117 C6 U B1738 -810.250 -77.135 162.927 1.00852.32 C ATOM 36118 P G B1739 -810.572 -81.477 159.023 1.00852.32 P ATOM 36119 O1P G B1739 -810.194 -82.455 157.971 1.00852.32 O ATOM 36120 O2P G B1739 -811.646 -80.487 158.750 1.00852.32 O ATOM 36121 O5* G B1739 -810.969 -82.282 160.337 1.00852.32 O ATOM 36122 C5* G B1739 -810.013 -83.084 161.023 1.00852.32 C ATOM 36123 C4* G B1739 -810.644 -83.697 162.247 1.00852.32 C ATOM 36124 O4* G B1739 -811.391 -82.680 162.959 1.00852.32 O ATOM 36125 C3* G B1739 -811.639 -84.833 162.023 1.00852.32 C ATOM 36126 O3* G B1739 -810.979 -86.084 161.860 1.00852.32 O ATOM 36127 C2* G B1739 -812.506 -84.766 163.277 1.00852.32 C ATOM 36128 O2* G B1739 -811.933 -85.447 164.374 1.00852.32 O ATOM 36129 C1* G B1739 -812.529 -83.262 163.566 1.00852.32 C ATOM 36130 N9 G B1739 -813.705 -82.563 163.055 1.00852.32 N ATOM 36131 C8 G B1739 -813.913 -82.136 161.765 1.00852.32 C ATOM 36132 N7 G B1739 -815.046 -81.512 161.606 1.00852.32 N ATOM 36133 C5 G B1739 -815.630 -81.532 162.863 1.00852.32 C ATOM 36134 C6 G B1739 -816.870 -81.007 163.313 1.00852.32 C ATOM 36135 O6 G B1739 -817.729 -80.389 162.664 1.00852.32 O ATOM 36136 N1 G B1739 -817.072 -81.259 164.668 1.00852.32 N ATOM 36137 C2 G B1739 -816.193 -81.925 165.487 1.00852.32 C ATOM 36138 N2 G B1739 -816.570 -82.065 166.764 1.00852.32 N ATOM 36139 N3 G B1739 -815.034 -82.414 165.082 1.00852.32 N ATOM 36140 C4 G B1739 -814.816 -82.185 163.770 1.00852.32 C ATOM 36141 P G B1740 -811.785 -87.339 161.264 1.00852.32 P ATOM 36142 O1P G B1740 -810.792 -88.414 161.018 1.00852.32 O ATOM 36143 O2P G B1740 -812.651 -86.868 160.153 1.00852.32 O ATOM 36144 O5* G B1740 -812.715 -87.792 162.476 1.00852.32 O ATOM 36145 C5* G B1740 -812.422 -88.983 163.197 1.00852.32 C ATOM 36146 C4* G B1740 -813.671 -89.547 163.830 1.00852.32 C ATOM 36147 O4* G B1740 -814.213 -88.625 164.812 1.00852.32 O ATOM 36148 C3* G B1740 -814.814 -89.827 162.851 1.00852.32 C ATOM 36149 O3* G B1740 -814.719 -91.077 162.186 1.00852.32 O ATOM 36150 C2* G B1740 -816.038 -89.759 163.767 1.00852.32 C ATOM 36151 O2* G B1740 -816.255 -90.968 164.463 1.00852.32 O ATOM 36152 C1* G B1740 -815.631 -88.675 164.765 1.00852.32 C ATOM 36153 N9 G B1740 -816.151 -87.354 164.421 1.00852.32 N ATOM 36154 C8 G B1740 -815.456 -86.284 163.916 1.00852.32 C ATOM 36155 N7 G B1740 -816.207 -85.234 163.714 1.00852.32 N ATOM 36156 C5 G B1740 -817.477 -85.635 164.112 1.00852.32 C ATOM 36157 C6 G B1740 -818.712 -84.927 164.127 1.00852.32 C ATOM 36158 O6 G B1740 -818.937 -83.762 163.780 1.00852.32 O ATOM 36159 N1 G B1740 -819.750 -85.719 164.604 1.00852.32 N ATOM 36160 C2 G B1740 -819.625 -87.022 165.015 1.00852.32 C ATOM 36161 N2 G B1740 -820.753 -87.611 165.442 1.00852.32 N ATOM 36162 N3 G B1740 -818.485 -87.692 165.010 1.00852.32 N ATOM 36163 C4 G B1740 -817.458 -86.944 164.551 1.00852.32 C ATOM 36164 P G B1741 -815.269 -91.216 160.682 1.00852.32 P ATOM 36165 O1P G B1741 -815.048 -92.623 160.260 1.00852.32 O ATOM 36166 O2P G B1741 -814.707 -90.111 159.867 1.00852.32 O ATOM 36167 O5* G B1741 -816.837 -90.987 160.833 1.00852.32 O ATOM 36168 C5* G B1741 -817.619 -91.885 161.611 1.00852.32 C ATOM 36169 C4* G B1741 -818.929 -91.251 162.006 1.00852.32 C ATOM 36170 O4* G B1741 -818.730 -89.890 162.465 1.00852.32 O ATOM 36171 C3* G B1741 -819.995 -91.119 160.946 1.00852.32 C ATOM 36172 O3* G B1741 -820.665 -92.362 160.790 1.00852.32 O ATOM 36173 C2* G B1741 -820.914 -90.049 161.521 1.00852.32 C ATOM 36174 O2* G B1741 -821.841 -90.576 162.450 1.00852.32 O ATOM 36175 C1* G B1741 -819.923 -89.149 162.262 1.00852.32 C ATOM 36176 N9 G B1741 -819.626 -87.942 161.494 1.00852.32 N ATOM 36177 C8 G B1741 -818.470 -87.635 160.817 1.00852.32 C ATOM 36178 N7 G B1741 -818.536 -86.488 160.194 1.00852.32 N ATOM 36179 C5 G B1741 -819.810 -86.009 160.486 1.00852.32 C ATOM 36180 C6 G B1741 -820.460 -84.811 160.086 1.00852.32 C ATOM 36181 O6 G B1741 -820.031 -83.901 159.368 1.00852.32 O ATOM 36182 N1 G B1741 -821.747 -84.730 160.615 1.00852.32 N ATOM 36183 C2 G B1741 -822.332 -85.678 161.419 1.00852.32 C ATOM 36184 N2 G B1741 -823.578 -85.418 161.836 1.00852.32 N ATOM 36185 N3 G B1741 -821.739 -86.793 161.791 1.00852.32 N ATOM 36186 C4 G B1741 -820.489 -86.895 161.294 1.00852.32 C ATOM 36187 P G B1742 -821.699 -92.556 159.576 1.00852.32 P ATOM 36188 O1P G B1742 -822.094 -93.984 159.540 1.00852.32 O ATOM 36189 O2P G B1742 -821.111 -91.927 158.362 1.00852.32 O ATOM 36190 O5* G B1742 -822.958 -91.692 160.024 1.00852.32 O ATOM 36191 C5* G B1742 -823.924 -92.233 160.920 1.00852.32 C ATOM 36192 C4* G B1742 -825.214 -91.453 160.846 1.00852.32 C ATOM 36193 O4* G B1742 -824.988 -90.061 161.198 1.00852.32 O ATOM 36194 C3* G B1742 -825.844 -91.428 159.471 1.00852.32 C ATOM 36195 O3* G B1742 -826.655 -92.581 159.306 1.00852.32 O ATOM 36196 C2* G B1742 -826.649 -90.129 159.485 1.00852.32 C ATOM 36197 O2* G B1742 -827.917 -90.282 160.087 1.00852.32 O ATOM 36198 C1* G B1742 -825.780 -89.228 160.365 1.00852.32 C ATOM 36199 N9 G B1742 -824.886 -88.361 159.605 1.00852.32 N ATOM 36200 C8 G B1742 -823.512 -88.381 159.612 1.00852.32 C ATOM 36201 N7 G B1742 -822.983 -87.478 158.831 1.00852.32 N ATOM 36202 C5 G B1742 -824.071 -86.819 158.273 1.00852.32 C ATOM 36203 C6 G B1742 -824.120 -85.745 157.350 1.00852.32 C ATOM 36204 O6 G B1742 -823.184 -85.136 156.827 1.00852.32 O ATOM 36205 N1 G B1742 -825.430 -85.389 157.048 1.00852.32 N ATOM 36206 C2 G B1742 -826.550 -85.989 157.564 1.00852.32 C ATOM 36207 N2 G B1742 -827.723 -85.504 157.135 1.00852.32 N ATOM 36208 N3 G B1742 -826.519 -86.991 158.430 1.00852.32 N ATOM 36209 C4 G B1742 -825.257 -87.353 158.738 1.00852.32 C ATOM 36210 P C B1743 -826.795 -93.253 157.857 1.00852.32 P ATOM 36211 O1P C B1743 -827.265 -94.647 158.057 1.00852.32 O ATOM 36212 O2P C B1743 -825.544 -93.001 157.099 1.00852.32 O ATOM 36213 O5* C B1743 -827.972 -92.424 157.180 1.00852.32 O ATOM 36214 C5* C B1743 -829.321 -92.635 157.581 1.00852.32 C ATOM 36215 C4* C B1743 -830.251 -91.767 156.770 1.00852.32 C ATOM 36216 O4* C B1743 -829.935 -90.367 156.971 1.00852.32 O ATOM 36217 C3* C B1743 -830.150 -91.996 155.270 1.00852.32 C ATOM 36218 O3* C B1743 -830.990 -93.064 154.858 1.00852.32 O ATOM 36219 C2* C B1743 -830.582 -90.652 154.693 1.00852.32 C ATOM 36220 O2* C B1743 -831.988 -90.523 154.604 1.00852.32 O ATOM 36221 C1* C B1743 -830.045 -89.674 155.743 1.00852.32 C ATOM 36222 N1 C B1743 -828.727 -89.126 155.395 1.00852.32 N ATOM 36223 C2 C B1743 -828.647 -87.795 154.985 1.00852.32 C ATOM 36224 O2 C B1743 -829.685 -87.121 154.943 1.00852.32 O ATOM 36225 N3 C B1743 -827.446 -87.278 154.647 1.00852.32 N ATOM 36226 C4 C B1743 -826.352 -88.036 154.719 1.00852.32 C ATOM 36227 N4 C B1743 -825.189 -87.479 154.385 1.00852.32 N ATOM 36228 C5 C B1743 -826.402 -89.394 155.139 1.00852.32 C ATOM 36229 C6 C B1743 -827.599 -89.893 155.467 1.00852.32 C ATOM 36230 P G B1744 -830.418 -94.164 153.840 1.00852.32 P ATOM 36231 O1P G B1744 -831.301 -95.354 153.932 1.00852.32 O ATOM 36232 O2P G B1744 -828.959 -94.311 154.079 1.00852.32 O ATOM 36233 O5* G B1744 -830.633 -93.492 152.414 1.00852.32 O ATOM 36234 C5* G B1744 -831.944 -93.299 151.903 1.00852.32 C ATOM 36235 C4* G B1744 -831.938 -92.267 150.802 1.00852.32 C ATOM 36236 O4* G B1744 -831.489 -90.982 151.296 1.00852.32 O ATOM 36237 C3* G B1744 -831.018 -92.579 149.637 1.00852.32 C ATOM 36238 O3* G B1744 -831.636 -93.477 148.732 1.00852.32 O ATOM 36239 C2* G B1744 -830.771 -91.202 149.034 1.00852.32 C ATOM 36240 O2* G B1744 -831.806 -90.791 148.164 1.00852.32 O ATOM 36241 C1* G B1744 -830.760 -90.311 150.279 1.00852.32 C ATOM 36242 N9 G B1744 -829.406 -90.066 150.752 1.00852.32 N ATOM 36243 C8 G B1744 -828.573 -90.953 151.395 1.00852.32 C ATOM 36244 N7 G B1744 -827.396 -90.451 151.657 1.00852.32 N ATOM 36245 C5 G B1744 -827.458 -89.152 151.167 1.00852.32 C ATOM 36246 C6 G B1744 -826.480 -88.126 151.158 1.00852.32 C ATOM 36247 O6 G B1744 -825.323 -88.163 151.588 1.00852.32 O ATOM 36248 N1 G B1744 -826.965 -86.963 150.566 1.00852.32 N ATOM 36249 C2 G B1744 -828.228 -86.808 150.049 1.00852.32 C ATOM 36250 N2 G B1744 -828.507 -85.606 149.525 1.00852.32 N ATOM 36251 N3 G B1744 -829.143 -87.760 150.046 1.00852.32 N ATOM 36252 C4 G B1744 -828.696 -88.897 150.617 1.00852.32 C ATOM 36253 P C B1745 -830.789 -94.711 148.157 1.00852.32 P ATOM 36254 O1P C B1745 -831.645 -95.456 147.200 1.00852.32 O ATOM 36255 O2P C B1745 -830.173 -95.427 149.299 1.00852.32 O ATOM 36256 O5* C B1745 -829.622 -94.003 147.343 1.00852.32 O ATOM 36257 C5* C B1745 -828.577 -94.761 146.762 1.00852.32 C ATOM 36258 C4* C B1745 -828.034 -94.040 145.558 1.00852.32 C ATOM 36259 O4* C B1745 -829.118 -93.801 144.632 1.00852.32 O ATOM 36260 C3* C B1745 -827.407 -92.672 145.780 1.00852.32 C ATOM 36261 O3* C B1745 -826.047 -92.772 146.162 1.00852.32 O ATOM 36262 C2* C B1745 -827.567 -92.011 144.414 1.00852.32 C ATOM 36263 O2* C B1745 -826.552 -92.402 143.509 1.00852.32 O ATOM 36264 C1* C B1745 -828.902 -92.586 143.941 1.00852.32 C ATOM 36265 N1 C B1745 -830.077 -91.735 144.143 1.00852.32 N ATOM 36266 C2 C B1745 -830.193 -90.558 143.400 1.00852.32 C ATOM 36267 O2 C B1745 -829.306 -90.274 142.581 1.00852.32 O ATOM 36268 N3 C B1745 -831.272 -89.767 143.590 1.00852.32 N ATOM 36269 C4 C B1745 -832.207 -90.116 144.477 1.00852.32 C ATOM 36270 N4 C B1745 -833.248 -89.298 144.637 1.00852.32 N ATOM 36271 C5 C B1745 -832.116 -91.316 145.236 1.00852.32 C ATOM 36272 C6 C B1745 -831.044 -92.084 145.042 1.00852.32 C ATOM 36273 P A B1746 -825.393 -91.601 147.035 1.00852.32 P ATOM 36274 O1P A B1746 -823.956 -91.914 147.216 1.00852.32 O ATOM 36275 O2P A B1746 -826.256 -91.392 148.223 1.00852.32 O ATOM 36276 O5* A B1746 -825.518 -90.333 146.080 1.00852.32 O ATOM 36277 C5* A B1746 -825.390 -89.015 146.588 1.00852.32 C ATOM 36278 C4* A B1746 -825.734 -88.010 145.514 1.00852.32 C ATOM 36279 O4* A B1746 -826.968 -88.393 144.864 1.00852.32 O ATOM 36280 C3* A B1746 -825.938 -86.560 145.944 1.00852.32 C ATOM 36281 O3* A B1746 -824.691 -85.876 146.006 1.00852.32 O ATOM 36282 C2* A B1746 -826.840 -86.012 144.845 1.00852.32 C ATOM 36283 O2* A B1746 -826.115 -85.604 143.701 1.00852.32 O ATOM 36284 C1* A B1746 -827.695 -87.233 144.501 1.00852.32 C ATOM 36285 N9 A B1746 -828.978 -87.271 145.201 1.00852.32 N ATOM 36286 C8 A B1746 -829.278 -87.956 146.356 1.00852.32 C ATOM 36287 N7 A B1746 -830.518 -87.815 146.750 1.00852.32 N ATOM 36288 C5 A B1746 -831.075 -86.976 145.791 1.00852.32 C ATOM 36289 C6 A B1746 -832.367 -86.445 145.639 1.00852.32 C ATOM 36290 N6 A B1746 -833.373 -86.693 146.479 1.00852.32 N ATOM 36291 N1 A B1746 -832.592 -85.641 144.576 1.00852.32 N ATOM 36292 C2 A B1746 -831.583 -85.395 143.733 1.00852.32 C ATOM 36293 N3 A B1746 -830.327 -85.837 143.770 1.00852.32 N ATOM 36294 C4 A B1746 -830.138 -86.630 144.836 1.00852.32 C ATOM 36295 P G B1747 -824.627 -84.391 146.611 1.00852.32 P ATOM 36296 O1P G B1747 -824.550 -83.443 145.468 1.00852.32 O ATOM 36297 O2P G B1747 -823.576 -84.359 147.663 1.00852.32 O ATOM 36298 O5* G B1747 -826.038 -84.200 147.322 1.00852.32 O ATOM 36299 C5* G B1747 -827.059 -83.391 146.746 1.00852.32 C ATOM 36300 C4* G B1747 -827.490 -82.340 147.736 1.00852.32 C ATOM 36301 O4* G B1747 -827.683 -82.981 149.020 1.00852.32 O ATOM 36302 C3* G B1747 -826.509 -81.236 148.039 1.00852.32 C ATOM 36303 O3* G B1747 -826.630 -80.227 147.045 1.00852.32 O ATOM 36304 C2* G B1747 -826.927 -80.759 149.426 1.00852.32 C ATOM 36305 O2* G B1747 -827.984 -79.824 149.383 1.00852.32 O ATOM 36306 C1* G B1747 -827.424 -82.059 150.060 1.00852.32 C ATOM 36307 N9 G B1747 -826.462 -82.688 150.963 1.00852.32 N ATOM 36308 C8 G B1747 -825.103 -82.802 150.792 1.00852.32 C ATOM 36309 N7 G B1747 -824.515 -83.430 151.773 1.00852.32 N ATOM 36310 C5 G B1747 -825.549 -83.753 152.644 1.00852.32 C ATOM 36311 C6 G B1747 -825.529 -84.437 153.887 1.00852.32 C ATOM 36312 O6 G B1747 -824.562 -84.919 154.490 1.00852.32 O ATOM 36313 N1 G B1747 -826.803 -84.538 154.435 1.00852.32 N ATOM 36314 C2 G B1747 -827.951 -84.046 153.860 1.00852.32 C ATOM 36315 N2 G B1747 -829.087 -84.243 154.540 1.00852.32 N ATOM 36316 N3 G B1747 -827.982 -83.409 152.703 1.00852.32 N ATOM 36317 C4 G B1747 -826.756 -83.298 152.156 1.00852.32 C ATOM 36318 P U B1748 -825.512 -79.079 146.927 1.00852.32 P ATOM 36319 O1P U B1748 -825.509 -78.618 145.515 1.00852.32 O ATOM 36320 O2P U B1748 -824.257 -79.569 147.546 1.00852.32 O ATOM 36321 O5* U B1748 -826.098 -77.902 147.827 1.00852.32 O ATOM 36322 C5* U B1748 -827.422 -77.423 147.615 1.00852.32 C ATOM 36323 C4* U B1748 -827.740 -76.310 148.580 1.00852.32 C ATOM 36324 O4* U B1748 -826.926 -75.152 148.256 1.00852.32 O ATOM 36325 C3* U B1748 -829.165 -75.770 148.589 1.00852.32 C ATOM 36326 O3* U B1748 -830.056 -76.565 149.364 1.00852.32 O ATOM 36327 C2* U B1748 -828.988 -74.368 149.162 1.00852.32 C ATOM 36328 O2* U B1748 -828.928 -74.358 150.574 1.00852.32 O ATOM 36329 C1* U B1748 -827.621 -73.970 148.593 1.00852.32 C ATOM 36330 N1 U B1748 -827.691 -73.135 147.385 1.00852.32 N ATOM 36331 C2 U B1748 -827.780 -71.767 147.544 1.00852.32 C ATOM 36332 O2 U B1748 -827.803 -71.220 148.634 1.00852.32 O ATOM 36333 N3 U B1748 -827.837 -71.054 146.370 1.00852.32 N ATOM 36334 C4 U B1748 -827.819 -71.557 145.090 1.00852.32 C ATOM 36335 O4 U B1748 -827.888 -70.783 144.133 1.00852.32 O ATOM 36336 C5 U B1748 -827.729 -72.982 145.008 1.00852.32 C ATOM 36337 C6 U B1748 -827.666 -73.702 146.131 1.00852.32 C ATOM 36338 P G B1749 -831.609 -76.160 149.470 1.00852.32 P ATOM 36339 O1P G B1749 -831.706 -75.034 150.433 1.00852.32 O ATOM 36340 O2P G B1749 -832.391 -77.397 149.708 1.00852.32 O ATOM 36341 O5* G B1749 -831.977 -75.605 148.017 1.00852.32 O ATOM 36342 C5* G B1749 -832.593 -76.449 147.047 1.00852.32 C ATOM 36343 C4* G B1749 -831.540 -77.177 146.244 1.00852.32 C ATOM 36344 O4* G B1749 -830.781 -78.056 147.104 1.00852.32 O ATOM 36345 C3* G B1749 -832.050 -78.040 145.100 1.00852.32 C ATOM 36346 O3* G B1749 -832.272 -77.263 143.922 1.00852.32 O ATOM 36347 C2* G B1749 -830.900 -79.035 144.920 1.00852.32 C ATOM 36348 O2* G B1749 -829.878 -78.536 144.078 1.00852.32 O ATOM 36349 C1* G B1749 -830.334 -79.157 146.341 1.00852.32 C ATOM 36350 N9 G B1749 -830.595 -80.398 147.068 1.00852.32 N ATOM 36351 C8 G B1749 -830.694 -81.663 146.537 1.00852.32 C ATOM 36352 N7 G B1749 -830.861 -82.588 147.441 1.00852.32 N ATOM 36353 C5 G B1749 -830.888 -81.894 148.642 1.00852.32 C ATOM 36354 C6 G B1749 -831.036 -82.365 149.974 1.00852.32 C ATOM 36355 O6 G B1749 -831.159 -83.530 150.372 1.00852.32 O ATOM 36356 N1 G B1749 -831.019 -81.319 150.891 1.00852.32 N ATOM 36357 C2 G B1749 -830.875 -79.989 150.572 1.00852.32 C ATOM 36358 N2 G B1749 -830.892 -79.132 151.600 1.00852.32 N ATOM 36359 N3 G B1749 -830.728 -79.540 149.336 1.00852.32 N ATOM 36360 C4 G B1749 -830.744 -80.539 148.430 1.00852.32 C ATOM 36361 P A B1750 -833.200 -77.836 142.734 1.00852.32 P ATOM 36362 O1P A B1750 -833.037 -79.309 142.678 1.00852.32 O ATOM 36363 O2P A B1750 -832.920 -77.021 141.524 1.00852.32 O ATOM 36364 O5* A B1750 -834.690 -77.521 143.194 1.00852.32 O ATOM 36365 C5* A B1750 -835.732 -78.471 142.979 1.00852.32 C ATOM 36366 C4* A B1750 -837.070 -77.857 143.313 1.00852.32 C ATOM 36367 O4* A B1750 -837.101 -77.547 144.727 1.00852.32 O ATOM 36368 C3* A B1750 -837.364 -76.539 142.624 1.00852.32 C ATOM 36369 O3* A B1750 -837.940 -76.771 141.343 1.00852.32 O ATOM 36370 C2* A B1750 -838.329 -75.852 143.585 1.00852.32 C ATOM 36371 O2* A B1750 -839.666 -76.273 143.403 1.00852.32 O ATOM 36372 C1* A B1750 -837.819 -76.347 144.941 1.00852.32 C ATOM 36373 N9 A B1750 -836.920 -75.414 145.613 1.00852.32 N ATOM 36374 C8 A B1750 -835.584 -75.230 145.353 1.00852.32 C ATOM 36375 N7 A B1750 -835.020 -74.324 146.115 1.00852.32 N ATOM 36376 C5 A B1750 -836.051 -73.882 146.931 1.00852.32 C ATOM 36377 C6 A B1750 -836.100 -72.926 147.961 1.00852.32 C ATOM 36378 N6 A B1750 -835.044 -72.217 148.360 1.00852.32 N ATOM 36379 N1 A B1750 -837.287 -72.721 148.570 1.00852.32 N ATOM 36380 C2 A B1750 -838.343 -73.437 148.172 1.00852.32 C ATOM 36381 N3 A B1750 -838.424 -74.364 147.220 1.00852.32 N ATOM 36382 C4 A B1750 -837.228 -74.544 146.632 1.00852.32 C ATOM 36383 P A B1751 -837.182 -76.254 140.022 1.00852.32 P ATOM 36384 O1P A B1751 -837.990 -76.692 138.854 1.00852.32 O ATOM 36385 O2P A B1751 -835.754 -76.644 140.114 1.00852.32 O ATOM 36386 O5* A B1751 -837.277 -74.667 140.113 1.00852.32 O ATOM 36387 C5* A B1751 -838.513 -73.995 139.894 1.00852.32 C ATOM 36388 C4* A B1751 -838.434 -72.577 140.407 1.00852.32 C ATOM 36389 O4* A B1751 -838.112 -72.583 141.821 1.00852.32 O ATOM 36390 C3* A B1751 -837.399 -71.645 139.808 1.00852.32 C ATOM 36391 O3* A B1751 -837.861 -71.112 138.569 1.00852.32 O ATOM 36392 C2* A B1751 -837.240 -70.572 140.880 1.00852.32 C ATOM 36393 O2* A B1751 -838.232 -69.566 140.794 1.00852.32 O ATOM 36394 C1* A B1751 -837.438 -71.383 142.162 1.00852.32 C ATOM 36395 N9 A B1751 -836.167 -71.735 142.797 1.00852.32 N ATOM 36396 C8 A B1751 -835.217 -72.619 142.345 1.00852.32 C ATOM 36397 N7 A B1751 -834.170 -72.713 143.127 1.00852.32 N ATOM 36398 C5 A B1751 -834.448 -71.835 144.165 1.00852.32 C ATOM 36399 C6 A B1751 -833.732 -71.474 145.318 1.00852.32 C ATOM 36400 N6 A B1751 -832.532 -71.971 145.631 1.00852.32 N ATOM 36401 N1 A B1751 -834.296 -70.574 146.153 1.00852.32 N ATOM 36402 C2 A B1751 -835.494 -70.075 145.838 1.00852.32 C ATOM 36403 N3 A B1751 -836.266 -70.331 144.785 1.00852.32 N ATOM 36404 C4 A B1751 -835.679 -71.230 143.977 1.00852.32 C ATOM 36405 P U B1752 -836.790 -70.656 137.458 1.00852.32 P ATOM 36406 O1P U B1752 -837.530 -69.914 136.408 1.00852.32 O ATOM 36407 O2P U B1752 -835.977 -71.838 137.086 1.00852.32 O ATOM 36408 O5* U B1752 -835.851 -69.625 138.231 1.00852.32 O ATOM 36409 C5* U B1752 -836.296 -68.301 138.506 1.00852.32 C ATOM 36410 C4* U B1752 -835.187 -67.496 139.144 1.00852.32 C ATOM 36411 O4* U B1752 -834.870 -68.054 140.445 1.00852.32 O ATOM 36412 C3* U B1752 -833.832 -67.481 138.456 1.00852.32 C ATOM 36413 O3* U B1752 -833.816 -66.533 137.392 1.00852.32 O ATOM 36414 C2* U B1752 -832.867 -67.092 139.572 1.00852.32 C ATOM 36415 O2* U B1752 -832.774 -65.694 139.746 1.00852.32 O ATOM 36416 C1* U B1752 -833.542 -67.709 140.803 1.00852.32 C ATOM 36417 N1 U B1752 -832.863 -68.919 141.287 1.00852.32 N ATOM 36418 C2 U B1752 -832.222 -68.848 142.510 1.00852.32 C ATOM 36419 O2 U B1752 -832.199 -67.837 143.185 1.00852.32 O ATOM 36420 N3 U B1752 -831.604 -70.010 142.907 1.00852.32 N ATOM 36421 C4 U B1752 -831.564 -71.204 142.222 1.00852.32 C ATOM 36422 O4 U B1752 -830.965 -72.166 142.712 1.00852.32 O ATOM 36423 C5 U B1752 -832.257 -71.198 140.968 1.00852.32 C ATOM 36424 C6 U B1752 -832.866 -70.082 140.553 1.00852.32 C ATOM 36425 P A B1753 -833.923 -66.190 134.457 1.00855.43 P ATOM 36426 O1P A B1753 -833.918 -64.984 133.592 1.00855.43 O ATOM 36427 O2P A B1753 -834.617 -67.419 133.999 1.00855.43 O ATOM 36428 O5* A B1753 -832.412 -66.571 134.778 1.00855.43 O ATOM 36429 C5* A B1753 -831.493 -65.599 135.262 1.00855.43 C ATOM 36430 C4* A B1753 -830.116 -66.206 135.362 1.00855.43 C ATOM 36431 O4* A B1753 -830.204 -67.384 136.208 1.00855.43 O ATOM 36432 C3* A B1753 -829.494 -66.734 134.098 1.00855.43 C ATOM 36433 O3* A B1753 -828.890 -65.676 133.368 1.00855.43 O ATOM 36434 C2* A B1753 -828.488 -67.750 134.611 1.00855.43 C ATOM 36435 O2* A B1753 -827.286 -67.148 135.038 1.00855.43 O ATOM 36436 C1* A B1753 -829.237 -68.337 135.808 1.00855.43 C ATOM 36437 N9 A B1753 -829.956 -69.559 135.438 1.00855.43 N ATOM 36438 C8 A B1753 -831.151 -69.644 134.765 1.00855.43 C ATOM 36439 N7 A B1753 -831.562 -70.870 134.567 1.00855.43 N ATOM 36440 C5 A B1753 -830.573 -71.649 135.151 1.00855.43 C ATOM 36441 C6 A B1753 -830.423 -73.037 135.282 1.00855.43 C ATOM 36442 N6 A B1753 -831.300 -73.928 134.811 1.00855.43 N ATOM 36443 N1 A B1753 -829.324 -73.490 135.922 1.00855.43 N ATOM 36444 C2 A B1753 -828.446 -72.598 136.394 1.00855.43 C ATOM 36445 N3 A B1753 -828.474 -71.271 136.337 1.00855.43 N ATOM 36446 C4 A B1753 -829.579 -70.854 135.693 1.00855.43 C ATOM 36447 P G B1754 -828.525 -65.891 131.815 1.00855.43 P ATOM 36448 O1P G B1754 -829.768 -65.691 131.029 1.00855.43 O ATOM 36449 O2P G B1754 -827.773 -67.167 131.686 1.00855.43 O ATOM 36450 O5* G B1754 -827.531 -64.696 131.465 1.00855.43 O ATOM 36451 C5* G B1754 -826.163 -64.750 131.848 1.00855.43 C ATOM 36452 C4* G B1754 -825.273 -64.492 130.654 1.00855.43 C ATOM 36453 O4* G B1754 -823.888 -64.544 131.075 1.00855.43 O ATOM 36454 C3* G B1754 -825.359 -65.510 129.535 1.00855.43 C ATOM 36455 O3* G B1754 -826.432 -65.246 128.642 1.00855.43 O ATOM 36456 C2* G B1754 -824.009 -65.366 128.849 1.00855.43 C ATOM 36457 O2* G B1754 -823.979 -64.282 127.943 1.00855.43 O ATOM 36458 C1* G B1754 -823.090 -65.086 130.037 1.00855.43 C ATOM 36459 N9 G B1754 -822.481 -66.311 130.531 1.00855.43 N ATOM 36460 C8 G B1754 -823.133 -67.399 131.059 1.00855.43 C ATOM 36461 N7 G B1754 -822.329 -68.368 131.394 1.00855.43 N ATOM 36462 C5 G B1754 -821.064 -67.891 131.073 1.00855.43 C ATOM 36463 C6 G B1754 -819.793 -68.502 131.210 1.00855.43 C ATOM 36464 O6 G B1754 -819.518 -69.623 131.652 1.00855.43 O ATOM 36465 N1 G B1754 -818.779 -67.663 130.764 1.00855.43 N ATOM 36466 C2 G B1754 -818.960 -66.401 130.254 1.00855.43 C ATOM 36467 N2 G B1754 -817.850 -65.747 129.879 1.00855.43 N ATOM 36468 N3 G B1754 -820.141 -65.823 130.116 1.00855.43 N ATOM 36469 C4 G B1754 -821.142 -66.621 130.545 1.00855.43 C ATOM 36470 P G B1755 -826.962 -66.419 127.685 1.00855.43 P ATOM 36471 O1P G B1755 -827.920 -65.819 126.725 1.00855.43 O ATOM 36472 O2P G B1755 -827.393 -67.559 128.535 1.00855.43 O ATOM 36473 O5* G B1755 -825.662 -66.868 126.873 1.00855.43 O ATOM 36474 C5* G B1755 -825.713 -67.977 125.983 1.00855.43 C ATOM 36475 C4* G B1755 -824.824 -69.107 126.465 1.00855.43 C ATOM 36476 O4* G B1755 -825.282 -70.332 125.844 1.00855.43 O ATOM 36477 C3* G B1755 -823.344 -69.068 126.123 1.00855.43 C ATOM 36478 O3* G B1755 -822.576 -68.253 127.000 1.00855.43 O ATOM 36479 C2* G B1755 -822.941 -70.534 126.211 1.00855.43 C ATOM 36480 O2* G B1755 -822.670 -70.946 127.538 1.00855.43 O ATOM 36481 C1* G B1755 -824.203 -71.233 125.700 1.00855.43 C ATOM 36482 N9 G B1755 -824.109 -71.569 124.283 1.00855.43 N ATOM 36483 C8 G B1755 -824.972 -71.175 123.289 1.00855.43 C ATOM 36484 N7 G B1755 -824.633 -71.617 122.111 1.00855.43 N ATOM 36485 C5 G B1755 -823.477 -72.347 122.338 1.00855.43 C ATOM 36486 C6 G B1755 -822.651 -73.061 121.432 1.00855.43 C ATOM 36487 O6 G B1755 -822.777 -73.190 120.208 1.00855.43 O ATOM 36488 N1 G B1755 -821.578 -73.660 122.087 1.00855.43 N ATOM 36489 C2 G B1755 -821.335 -73.586 123.438 1.00855.43 C ATOM 36490 N2 G B1755 -820.254 -74.241 123.883 1.00855.43 N ATOM 36491 N3 G B1755 -822.096 -72.919 124.289 1.00855.43 N ATOM 36492 C4 G B1755 -823.142 -72.330 123.677 1.00855.43 C ATOM 36493 P C B1756 -821.165 -67.657 126.502 1.00855.43 P ATOM 36494 O1P C B1756 -820.489 -67.072 127.690 1.00855.43 O ATOM 36495 O2P C B1756 -821.413 -66.810 125.309 1.00855.43 O ATOM 36496 O5* C B1756 -820.325 -68.933 126.038 1.00855.43 O ATOM 36497 C5* C B1756 -819.553 -69.681 126.977 1.00855.43 C ATOM 36498 C4* C B1756 -818.458 -70.459 126.270 1.00855.43 C ATOM 36499 O4* C B1756 -819.059 -71.430 125.377 1.00855.43 O ATOM 36500 C3* C B1756 -817.494 -69.692 125.373 1.00855.43 C ATOM 36501 O3* C B1756 -816.432 -69.071 126.090 1.00855.43 O ATOM 36502 C2* C B1756 -816.965 -70.780 124.445 1.00855.43 C ATOM 36503 O2* C B1756 -815.898 -71.515 125.010 1.00855.43 O ATOM 36504 C1* C B1756 -818.186 -71.690 124.293 1.00855.43 C ATOM 36505 N1 C B1756 -818.911 -71.439 123.037 1.00855.43 N ATOM 36506 C2 C B1756 -818.607 -72.218 121.918 1.00855.43 C ATOM 36507 O2 C B1756 -817.759 -73.119 122.027 1.00855.43 O ATOM 36508 N3 C B1756 -819.241 -71.972 120.750 1.00855.43 N ATOM 36509 C4 C B1756 -820.150 -70.999 120.677 1.00855.43 C ATOM 36510 N4 C B1756 -820.743 -70.783 119.501 1.00855.43 N ATOM 36511 C5 C B1756 -820.489 -70.199 121.808 1.00855.43 C ATOM 36512 C6 C B1756 -819.853 -70.454 122.956 1.00855.43 C ATOM 36513 P C B1757 -815.613 -67.859 125.416 1.00855.43 P ATOM 36514 O1P C B1757 -814.561 -67.450 126.379 1.00855.43 O ATOM 36515 O2P C B1757 -816.587 -66.854 124.922 1.00855.43 O ATOM 36516 O5* C B1757 -814.894 -68.519 124.154 1.00855.43 O ATOM 36517 C5* C B1757 -813.696 -69.279 124.315 1.00855.43 C ATOM 36518 C4* C B1757 -813.103 -69.627 122.968 1.00855.43 C ATOM 36519 O4* C B1757 -813.997 -70.541 122.284 1.00855.43 O ATOM 36520 C3* C B1757 -812.915 -68.539 121.925 1.00855.43 C ATOM 36521 O3* C B1757 -811.762 -67.743 122.148 1.00855.43 O ATOM 36522 C2* C B1757 -812.802 -69.324 120.626 1.00855.43 C ATOM 36523 O2* C B1757 -811.500 -69.819 120.400 1.00855.43 O ATOM 36524 C1* C B1757 -813.761 -70.483 120.886 1.00855.43 C ATOM 36525 N1 C B1757 -815.040 -70.240 120.199 1.00855.43 N ATOM 36526 C2 C B1757 -815.172 -70.676 118.881 1.00855.43 C ATOM 36527 O2 C B1757 -814.229 -71.282 118.362 1.00855.43 O ATOM 36528 N3 C B1757 -816.318 -70.426 118.209 1.00855.43 N ATOM 36529 C4 C B1757 -817.314 -69.773 118.812 1.00855.43 C ATOM 36530 N4 C B1757 -818.420 -69.533 118.102 1.00855.43 N ATOM 36531 C5 C B1757 -817.216 -69.332 120.167 1.00855.43 C ATOM 36532 C6 C B1757 -816.071 -69.588 120.817 1.00855.43 C ATOM 36533 P C B1758 -811.516 -66.437 121.238 1.00855.43 P ATOM 36534 O1P C B1758 -810.442 -65.635 121.873 1.00855.43 O ATOM 36535 O2P C B1758 -812.837 -65.811 120.967 1.00855.43 O ATOM 36536 O5* C B1758 -810.959 -67.015 119.861 1.00855.43 O ATOM 36537 C5* C B1758 -809.659 -67.590 119.781 1.00855.43 C ATOM 36538 C4* C B1758 -809.396 -68.125 118.393 1.00855.43 C ATOM 36539 O4* C B1758 -810.335 -69.193 118.103 1.00855.43 O ATOM 36540 C3* C B1758 -809.609 -67.141 117.259 1.00855.43 C ATOM 36541 O3* C B1758 -808.483 -66.302 117.044 1.00855.43 O ATOM 36542 C2* C B1758 -809.870 -68.055 116.064 1.00855.43 C ATOM 36543 O2* C B1758 -808.678 -68.548 115.483 1.00855.43 O ATOM 36544 C1* C B1758 -810.641 -69.201 116.718 1.00855.43 C ATOM 36545 N1 C B1758 -812.092 -69.024 116.562 1.00855.43 N ATOM 36546 C2 C B1758 -812.769 -69.807 115.627 1.00855.43 C ATOM 36547 O2 C B1758 -812.131 -70.650 114.979 1.00855.43 O ATOM 36548 N3 C B1758 -814.101 -69.634 115.455 1.00855.43 N ATOM 36549 C4 C B1758 -814.750 -68.718 116.179 1.00855.43 C ATOM 36550 N4 C B1758 -816.062 -68.573 115.970 1.00855.43 N ATOM 36551 C5 C B1758 -814.087 -67.913 117.148 1.00855.43 C ATOM 36552 C6 C B1758 -812.768 -68.099 117.307 1.00855.43 C ATOM 36553 P A B1759 -808.710 -64.787 116.564 1.00855.43 P ATOM 36554 O1P A B1759 -807.379 -64.129 116.516 1.00855.43 O ATOM 36555 O2P A B1759 -809.791 -64.194 117.392 1.00855.43 O ATOM 36556 O5* A B1759 -809.245 -64.934 115.070 1.00855.43 O ATOM 36557 C5* A B1759 -808.447 -65.568 114.080 1.00855.43 C ATOM 36558 C4* A B1759 -809.168 -65.627 112.753 1.00855.43 C ATOM 36559 O4* A B1759 -810.293 -66.542 112.813 1.00855.43 O ATOM 36560 C3* A B1759 -809.787 -64.341 112.250 1.00855.43 C ATOM 36561 O3* A B1759 -808.826 -63.479 111.657 1.00855.43 O ATOM 36562 C2* A B1759 -810.802 -64.837 111.228 1.00855.43 C ATOM 36563 O2* A B1759 -810.225 -65.098 109.965 1.00855.43 O ATOM 36564 C1* A B1759 -811.271 -66.150 111.861 1.00855.43 C ATOM 36565 N9 A B1759 -812.556 -65.950 112.531 1.00855.43 N ATOM 36566 C8 A B1759 -812.828 -65.541 113.812 1.00855.43 C ATOM 36567 N7 A B1759 -814.108 -65.408 114.066 1.00855.43 N ATOM 36568 C5 A B1759 -814.721 -65.766 112.870 1.00855.43 C ATOM 36569 C6 A B1759 -816.071 -65.828 112.473 1.00855.43 C ATOM 36570 N6 A B1759 -817.098 -65.509 113.266 1.00855.43 N ATOM 36571 N1 A B1759 -816.336 -66.237 111.214 1.00855.43 N ATOM 36572 C2 A B1759 -815.313 -66.555 110.414 1.00855.43 C ATOM 36573 N3 A B1759 -814.008 -66.529 110.664 1.00855.43 N ATOM 36574 C4 A B1759 -813.777 -66.122 111.926 1.00855.43 C ATOM 36575 P G B1760 -809.210 -61.943 111.382 1.00855.43 P ATOM 36576 O1P G B1760 -807.953 -61.209 111.094 1.00855.43 O ATOM 36577 O2P G B1760 -810.090 -61.484 112.488 1.00855.43 O ATOM 36578 O5* G B1760 -810.075 -61.992 110.044 1.00855.43 O ATOM 36579 C5* G B1760 -809.490 -62.433 108.825 1.00855.43 C ATOM 36580 C4* G B1760 -810.532 -62.521 107.734 1.00855.43 C ATOM 36581 O4* G B1760 -811.468 -63.595 108.034 1.00855.43 O ATOM 36582 C3* G B1760 -811.421 -61.303 107.587 1.00855.43 C ATOM 36583 O3* G B1760 -810.847 -60.242 106.835 1.00855.43 O ATOM 36584 C2* G B1760 -812.648 -61.872 106.894 1.00855.43 C ATOM 36585 O2* G B1760 -812.468 -62.017 105.499 1.00855.43 O ATOM 36586 C1* G B1760 -812.751 -63.255 107.538 1.00855.43 C ATOM 36587 N9 G B1760 -813.699 -63.226 108.648 1.00855.43 N ATOM 36588 C8 G B1760 -813.424 -63.051 109.983 1.00855.43 C ATOM 36589 N7 G B1760 -814.497 -63.039 110.726 1.00855.43 N ATOM 36590 C5 G B1760 -815.540 -63.227 109.830 1.00855.43 C ATOM 36591 C6 G B1760 -816.944 -63.303 110.046 1.00855.43 C ATOM 36592 O6 G B1760 -817.567 -63.218 111.112 1.00855.43 O ATOM 36593 N1 G B1760 -817.633 -63.499 108.854 1.00855.43 N ATOM 36594 C2 G B1760 -817.052 -63.609 107.614 1.00855.43 C ATOM 36595 N2 G B1760 -817.887 -63.792 106.581 1.00855.43 N ATOM 36596 N3 G B1760 -815.751 -63.539 107.398 1.00855.43 N ATOM 36597 C4 G B1760 -815.061 -63.349 108.544 1.00855.43 C ATOM 36598 P G B1761 -811.300 -58.727 107.135 1.00855.43 P ATOM 36599 O1P G B1761 -810.454 -57.824 106.315 1.00855.43 O ATOM 36600 O2P G B1761 -811.359 -58.544 108.606 1.00855.43 O ATOM 36601 O5* G B1761 -812.791 -58.658 106.574 1.00855.43 O ATOM 36602 C5* G B1761 -813.045 -58.605 105.173 1.00855.43 C ATOM 36603 C4* G B1761 -814.434 -58.075 104.917 1.00855.43 C ATOM 36604 O4* G B1761 -815.431 -59.076 105.243 1.00855.43 O ATOM 36605 C3* G B1761 -814.886 -56.833 105.668 1.00855.43 C ATOM 36606 O3* G B1761 -814.367 -55.650 105.069 1.00855.43 O ATOM 36607 C2* G B1761 -816.405 -56.926 105.593 1.00855.43 C ATOM 36608 O2* G B1761 -816.922 -56.406 104.382 1.00855.43 O ATOM 36609 C1* G B1761 -816.635 -58.442 105.641 1.00855.43 C ATOM 36610 N9 G B1761 -817.008 -58.944 106.961 1.00855.43 N ATOM 36611 C8 G B1761 -816.394 -59.947 107.670 1.00855.43 C ATOM 36612 N7 G B1761 -816.949 -60.170 108.832 1.00855.43 N ATOM 36613 C5 G B1761 -817.996 -59.259 108.899 1.00855.43 C ATOM 36614 C6 G B1761 -818.957 -59.017 109.932 1.00855.43 C ATOM 36615 O6 G B1761 -819.076 -59.574 111.034 1.00855.43 O ATOM 36616 N1 G B1761 -819.840 -58.000 109.581 1.00855.43 N ATOM 36617 C2 G B1761 -819.809 -57.307 108.396 1.00855.43 C ATOM 36618 N2 G B1761 -820.757 -56.373 108.239 1.00855.43 N ATOM 36619 N3 G B1761 -818.922 -57.513 107.432 1.00855.43 N ATOM 36620 C4 G B1761 -818.052 -58.496 107.749 1.00855.43 C ATOM 36621 P C B1762 -814.049 -54.372 105.986 1.00855.43 P ATOM 36622 O1P C B1762 -813.467 -53.324 105.110 1.00855.43 O ATOM 36623 O2P C B1762 -813.293 -54.828 107.183 1.00855.43 O ATOM 36624 O5* C B1762 -815.490 -53.887 106.456 1.00855.43 O ATOM 36625 C5* C B1762 -816.358 -53.215 105.549 1.00855.43 C ATOM 36626 C4* C B1762 -817.503 -52.580 106.294 1.00855.43 C ATOM 36627 O4* C B1762 -818.367 -53.601 106.856 1.00855.43 O ATOM 36628 C3* C B1762 -817.111 -51.717 107.482 1.00855.43 C ATOM 36629 O3* C B1762 -816.732 -50.406 107.085 1.00855.43 O ATOM 36630 C2* C B1762 -818.378 -51.727 108.333 1.00855.43 C ATOM 36631 O2* C B1762 -819.326 -50.773 107.900 1.00855.43 O ATOM 36632 C1* C B1762 -818.915 -53.139 108.082 1.00855.43 C ATOM 36633 N1 C B1762 -818.555 -54.089 109.148 1.00855.43 N ATOM 36634 C2 C B1762 -819.458 -54.301 110.201 1.00855.43 C ATOM 36635 O2 C B1762 -820.531 -53.683 110.210 1.00855.43 O ATOM 36636 N3 C B1762 -819.134 -55.170 111.184 1.00855.43 N ATOM 36637 C4 C B1762 -817.967 -55.816 111.146 1.00855.43 C ATOM 36638 N4 C B1762 -817.694 -56.671 112.137 1.00855.43 N ATOM 36639 C5 C B1762 -817.027 -55.616 110.088 1.00855.43 C ATOM 36640 C6 C B1762 -817.360 -54.752 109.120 1.00855.43 C ATOM 36641 P G B1763 -815.775 -49.541 108.040 1.00855.43 P ATOM 36642 O1P G B1763 -815.449 -48.281 107.323 1.00855.43 O ATOM 36643 O2P G B1763 -814.680 -50.416 108.525 1.00855.43 O ATOM 36644 O5* G B1763 -816.713 -49.178 109.275 1.00855.43 O ATOM 36645 C5* G B1763 -817.913 -48.436 109.080 1.00855.43 C ATOM 36646 C4* G B1763 -818.732 -48.408 110.346 1.00855.43 C ATOM 36647 O4* G B1763 -819.067 -49.753 110.770 1.00855.43 O ATOM 36648 C3* G B1763 -818.063 -47.763 111.561 1.00855.43 C ATOM 36649 O3* G B1763 -818.123 -46.345 111.590 1.00855.43 O ATOM 36650 C2* G B1763 -818.835 -48.398 112.716 1.00855.43 C ATOM 36651 O2* G B1763 -820.061 -47.737 112.968 1.00855.43 O ATOM 36652 C1* G B1763 -819.111 -49.805 112.187 1.00855.43 C ATOM 36653 N9 G B1763 -818.127 -50.776 112.655 1.00855.43 N ATOM 36654 C8 G B1763 -817.350 -51.615 111.893 1.00855.43 C ATOM 36655 N7 G B1763 -816.551 -52.362 112.604 1.00855.43 N ATOM 36656 C5 G B1763 -816.817 -51.997 113.916 1.00855.43 C ATOM 36657 C6 G B1763 -816.256 -52.463 115.136 1.00855.43 C ATOM 36658 O6 G B1763 -815.377 -53.318 115.303 1.00855.43 O ATOM 36659 N1 G B1763 -816.819 -51.827 116.236 1.00855.43 N ATOM 36660 C2 G B1763 -817.797 -50.864 116.176 1.00855.43 C ATOM 36661 N2 G B1763 -818.222 -50.386 117.353 1.00855.43 N ATOM 36662 N3 G B1763 -818.323 -50.413 115.050 1.00855.43 N ATOM 36663 C4 G B1763 -817.790 -51.020 113.966 1.00855.43 C ATOM 36664 P A B1764 -816.836 -45.499 112.054 1.00855.43 P ATOM 36665 O1P A B1764 -817.315 -44.148 112.434 1.00855.43 O ATOM 36666 O2P A B1764 -815.783 -45.638 111.012 1.00855.43 O ATOM 36667 O5* A B1764 -816.334 -46.236 113.376 1.00855.43 O ATOM 36668 C5* A B1764 -817.104 -46.185 114.572 1.00855.43 C ATOM 36669 C4* A B1764 -816.520 -47.115 115.610 1.00855.43 C ATOM 36670 O4* A B1764 -815.124 -46.780 115.823 1.00855.43 O ATOM 36671 C3* A B1764 -817.153 -46.988 116.969 1.00855.43 C ATOM 36672 O3* A B1764 -818.313 -47.805 117.027 1.00855.43 O ATOM 36673 C2* A B1764 -816.044 -47.445 117.906 1.00855.43 C ATOM 36674 O2* A B1764 -815.942 -48.853 117.992 1.00855.43 O ATOM 36675 C1* A B1764 -814.817 -46.866 117.209 1.00855.43 C ATOM 36676 N9 A B1764 -814.604 -45.505 117.693 1.00855.43 N ATOM 36677 C8 A B1764 -814.876 -44.337 117.025 1.00855.43 C ATOM 36678 N7 A B1764 -814.645 -43.261 117.726 1.00855.43 N ATOM 36679 C5 A B1764 -814.176 -43.745 118.940 1.00855.43 C ATOM 36680 C6 A B1764 -813.758 -43.103 120.116 1.00855.43 C ATOM 36681 N6 A B1764 -813.745 -41.777 120.272 1.00855.43 N ATOM 36682 N1 A B1764 -813.352 -43.880 121.144 1.00855.43 N ATOM 36683 C2 A B1764 -813.365 -45.205 120.987 1.00855.43 C ATOM 36684 N3 A B1764 -813.737 -45.928 119.933 1.00855.43 N ATOM 36685 C4 A B1764 -814.136 -45.129 118.929 1.00855.43 C ATOM 36686 P C B1765 -819.763 -47.116 116.916 1.00855.43 P ATOM 36687 O1P C B1765 -820.393 -47.578 115.655 1.00855.43 O ATOM 36688 O2P C B1765 -819.589 -45.661 117.159 1.00855.43 O ATOM 36689 O5* C B1765 -820.575 -47.724 118.145 1.00855.43 O ATOM 36690 C5* C B1765 -820.996 -49.085 118.139 1.00855.43 C ATOM 36691 C4* C B1765 -821.039 -49.625 119.546 1.00855.43 C ATOM 36692 O4* C B1765 -819.712 -49.514 120.127 1.00855.43 O ATOM 36693 C3* C B1765 -821.937 -48.883 120.513 1.00855.43 C ATOM 36694 O3* C B1765 -823.271 -49.367 120.426 1.00855.43 O ATOM 36695 C2* C B1765 -821.305 -49.183 121.865 1.00855.43 C ATOM 36696 O2* C B1765 -821.695 -50.438 122.386 1.00855.43 O ATOM 36697 C1* C B1765 -819.819 -49.218 121.508 1.00855.43 C ATOM 36698 N1 C B1765 -819.165 -47.923 121.731 1.00855.43 N ATOM 36699 C2 C B1765 -818.965 -47.488 123.040 1.00855.43 C ATOM 36700 O2 C B1765 -819.332 -48.223 123.976 1.00855.43 O ATOM 36701 N3 C B1765 -818.374 -46.289 123.253 1.00855.43 N ATOM 36702 C4 C B1765 -817.996 -45.535 122.213 1.00855.43 C ATOM 36703 N4 C B1765 -817.422 -44.358 122.459 1.00855.43 N ATOM 36704 C5 C B1765 -818.191 -45.964 120.870 1.00855.43 C ATOM 36705 C6 C B1765 -818.772 -47.147 120.677 1.00855.43 C ATOM 36706 P U B1766 -824.496 -48.397 120.808 1.00855.43 P ATOM 36707 O1P U B1766 -825.677 -49.259 121.051 1.00855.43 O ATOM 36708 O2P U B1766 -824.571 -47.318 119.793 1.00855.43 O ATOM 36709 O5* U B1766 -824.069 -47.749 122.197 1.00855.43 O ATOM 36710 C5* U B1766 -824.356 -48.408 123.429 1.00855.43 C ATOM 36711 C4* U B1766 -824.863 -47.414 124.446 1.00855.43 C ATOM 36712 O4* U B1766 -823.775 -46.532 124.822 1.00855.43 O ATOM 36713 C3* U B1766 -825.967 -46.478 123.986 1.00855.43 C ATOM 36714 O3* U B1766 -827.256 -47.066 124.123 1.00855.43 O ATOM 36715 C2* U B1766 -825.800 -45.281 124.916 1.00855.43 C ATOM 36716 O2* U B1766 -826.425 -45.472 126.171 1.00855.43 O ATOM 36717 C1* U B1766 -824.282 -45.240 125.099 1.00855.43 C ATOM 36718 N1 U B1766 -823.657 -44.283 124.177 1.00855.43 N ATOM 36719 C2 U B1766 -823.909 -42.946 124.395 1.00855.43 C ATOM 36720 O2 U B1766 -824.597 -42.545 125.313 1.00855.43 O ATOM 36721 N3 U B1766 -823.331 -42.095 123.493 1.00855.43 N ATOM 36722 C4 U B1766 -822.545 -42.440 122.411 1.00855.43 C ATOM 36723 O4 U B1766 -822.168 -41.557 121.646 1.00855.43 O ATOM 36724 C5 U B1766 -822.314 -43.846 122.260 1.00855.43 C ATOM 36725 C6 U B1766 -822.865 -44.700 123.129 1.00855.43 C ATOM 36726 P G B1767 -828.286 -47.020 122.891 1.00855.43 P ATOM 36727 O1P G B1767 -829.580 -47.571 123.359 1.00855.43 O ATOM 36728 O2P G B1767 -827.616 -47.626 121.709 1.00855.43 O ATOM 36729 O5* G B1767 -828.487 -45.466 122.595 1.00855.43 O ATOM 36730 C5* G B1767 -829.228 -44.629 123.483 1.00855.43 C ATOM 36731 C4* G B1767 -829.566 -43.324 122.797 1.00855.43 C ATOM 36732 O4* G B1767 -828.342 -42.740 122.288 1.00855.43 O ATOM 36733 C3* G B1767 -830.488 -43.412 121.580 1.00855.43 C ATOM 36734 O3* G B1767 -831.867 -43.408 121.930 1.00855.43 O ATOM 36735 C2* G B1767 -830.085 -42.190 120.765 1.00855.43 C ATOM 36736 O2* G B1767 -830.697 -41.003 121.229 1.00855.43 O ATOM 36737 C1* G B1767 -828.579 -42.129 121.031 1.00855.43 C ATOM 36738 N9 G B1767 -827.792 -42.863 120.045 1.00855.43 N ATOM 36739 C8 G B1767 -826.755 -43.720 120.311 1.00855.43 C ATOM 36740 N7 G B1767 -826.245 -44.255 119.236 1.00855.43 N ATOM 36741 C5 G B1767 -826.988 -43.715 118.197 1.00855.43 C ATOM 36742 C6 G B1767 -826.893 -43.925 116.795 1.00855.43 C ATOM 36743 O6 G B1767 -826.110 -44.657 116.175 1.00855.43 O ATOM 36744 N1 G B1767 -827.839 -43.177 116.104 1.00855.43 N ATOM 36745 C2 G B1767 -828.755 -42.336 116.678 1.00855.43 C ATOM 36746 N2 G B1767 -829.583 -41.704 115.835 1.00855.43 N ATOM 36747 N3 G B1767 -828.855 -42.130 117.984 1.00855.43 N ATOM 36748 C4 G B1767 -827.945 -42.847 118.677 1.00855.43 C ATOM 36749 P U B1768 -832.970 -43.833 120.842 1.00855.43 P ATOM 36750 O1P U B1768 -834.304 -43.698 121.481 1.00855.43 O ATOM 36751 O2P U B1768 -832.569 -45.135 120.250 1.00855.43 O ATOM 36752 O5* U B1768 -832.849 -42.717 119.710 1.00855.43 O ATOM 36753 C5* U B1768 -833.926 -41.821 119.445 1.00855.43 C ATOM 36754 C4* U B1768 -834.148 -41.704 117.958 1.00855.43 C ATOM 36755 O4* U B1768 -832.863 -41.704 117.284 1.00855.43 O ATOM 36756 C3* U B1768 -834.909 -42.847 117.323 1.00855.43 C ATOM 36757 O3* U B1768 -836.302 -42.584 117.437 1.00855.43 O ATOM 36758 C2* U B1768 -834.424 -42.827 115.879 1.00855.43 C ATOM 36759 O2* U B1768 -835.112 -41.877 115.088 1.00855.43 O ATOM 36760 C1* U B1768 -832.968 -42.393 116.046 1.00855.43 C ATOM 36761 N1 U B1768 -832.046 -43.534 116.088 1.00855.43 N ATOM 36762 C2 U B1768 -831.546 -44.008 114.892 1.00855.43 C ATOM 36763 O2 U B1768 -831.837 -43.517 113.812 1.00855.43 O ATOM 36764 N3 U B1768 -830.695 -45.080 115.002 1.00855.43 N ATOM 36765 C4 U B1768 -830.306 -45.712 116.165 1.00855.43 C ATOM 36766 O4 U B1768 -829.533 -46.669 116.103 1.00855.43 O ATOM 36767 C5 U B1768 -830.866 -45.164 117.360 1.00855.43 C ATOM 36768 C6 U B1768 -831.696 -44.119 117.281 1.00855.43 C ATOM 36769 P U B1769 -837.235 -43.596 118.264 1.00855.43 P ATOM 36770 O1P U B1769 -838.018 -42.796 119.238 1.00855.43 O ATOM 36771 O2P U B1769 -836.389 -44.714 118.750 1.00855.43 O ATOM 36772 O5* U B1769 -838.238 -44.169 117.169 1.00855.43 O ATOM 36773 C5* U B1769 -838.762 -43.322 116.153 1.00855.43 C ATOM 36774 C4* U B1769 -838.400 -43.857 114.787 1.00855.43 C ATOM 36775 O4* U B1769 -836.959 -43.855 114.622 1.00855.43 O ATOM 36776 C3* U B1769 -838.834 -45.295 114.532 1.00855.43 C ATOM 36777 O3* U B1769 -840.177 -45.409 114.072 1.00855.43 O ATOM 36778 C2* U B1769 -837.829 -45.768 113.482 1.00855.43 C ATOM 36779 O2* U B1769 -838.206 -45.408 112.169 1.00855.43 O ATOM 36780 C1* U B1769 -836.568 -44.989 113.874 1.00855.43 C ATOM 36781 N1 U B1769 -835.584 -45.751 114.658 1.00855.43 N ATOM 36782 C2 U B1769 -834.483 -46.244 113.984 1.00855.43 C ATOM 36783 O2 U B1769 -834.317 -46.089 112.787 1.00855.43 O ATOM 36784 N3 U B1769 -833.587 -46.928 114.763 1.00855.43 N ATOM 36785 C4 U B1769 -833.676 -47.168 116.118 1.00855.43 C ATOM 36786 O4 U B1769 -832.771 -47.776 116.688 1.00855.43 O ATOM 36787 C5 U B1769 -834.849 -46.634 116.743 1.00855.43 C ATOM 36788 C6 U B1769 -835.743 -45.959 116.004 1.00855.43 C ATOM 36789 P U B1770 -840.851 -46.858 113.930 1.00855.43 P ATOM 36790 O1P U B1770 -842.297 -46.687 114.227 1.00855.43 O ATOM 36791 O2P U B1770 -840.061 -47.839 114.709 1.00855.43 O ATOM 36792 O5* U B1770 -840.706 -47.187 112.378 1.00855.43 O ATOM 36793 C5* U B1770 -841.178 -46.260 111.410 1.00855.43 C ATOM 36794 C4* U B1770 -841.185 -46.878 110.031 1.00855.43 C ATOM 36795 O4* U B1770 -839.836 -47.131 109.569 1.00855.43 O ATOM 36796 C3* U B1770 -841.892 -48.209 109.910 1.00855.43 C ATOM 36797 O3* U B1770 -843.297 -48.033 109.757 1.00855.43 O ATOM 36798 C2* U B1770 -841.280 -48.787 108.637 1.00855.43 C ATOM 36799 O2* U B1770 -841.932 -48.324 107.471 1.00855.43 O ATOM 36800 C1* U B1770 -839.857 -48.224 108.671 1.00855.43 C ATOM 36801 N1 U B1770 -838.840 -49.209 109.065 1.00855.43 N ATOM 36802 C2 U B1770 -837.574 -49.056 108.531 1.00855.43 C ATOM 36803 O2 U B1770 -837.276 -48.132 107.796 1.00855.43 O ATOM 36804 N3 U B1770 -836.672 -50.025 108.884 1.00855.43 N ATOM 36805 C4 U B1770 -836.895 -51.106 109.710 1.00855.43 C ATOM 36806 O4 U B1770 -836.000 -51.929 109.885 1.00855.43 O ATOM 36807 C5 U B1770 -838.223 -51.180 110.246 1.00855.43 C ATOM 36808 C6 U B1770 -839.128 -50.250 109.914 1.00855.43 C ATOM 36809 P A B1771 -844.309 -49.002 110.545 1.00855.43 P ATOM 36810 O1P A B1771 -843.523 -50.172 111.020 1.00855.43 O ATOM 36811 O2P A B1771 -845.505 -49.221 109.697 1.00855.43 O ATOM 36812 O5* A B1771 -844.742 -48.156 111.823 1.00855.43 O ATOM 36813 C5* A B1771 -845.205 -46.811 111.691 1.00855.43 C ATOM 36814 C4* A B1771 -844.835 -46.019 112.922 1.00855.43 C ATOM 36815 O4* A B1771 -845.168 -44.618 112.737 1.00855.43 O ATOM 36816 C3* A B1771 -845.544 -46.398 114.202 1.00855.43 C ATOM 36817 O3* A B1771 -844.906 -47.522 114.795 1.00855.43 O ATOM 36818 C2* A B1771 -845.414 -45.143 115.054 1.00855.43 C ATOM 36819 O2* A B1771 -844.180 -45.072 115.737 1.00855.43 O ATOM 36820 C1* A B1771 -845.476 -44.038 113.995 1.00855.43 C ATOM 36821 N9 A B1771 -846.800 -43.423 113.907 1.00855.43 N ATOM 36822 C8 A B1771 -847.962 -43.994 113.451 1.00855.43 C ATOM 36823 N7 A B1771 -849.001 -43.201 113.518 1.00855.43 N ATOM 36824 C5 A B1771 -848.492 -42.024 114.046 1.00855.43 C ATOM 36825 C6 A B1771 -849.088 -40.794 114.365 1.00855.43 C ATOM 36826 N6 A B1771 -850.386 -40.533 114.195 1.00855.43 N ATOM 36827 N1 A B1771 -848.296 -39.827 114.873 1.00855.43 N ATOM 36828 C2 A B1771 -846.997 -40.089 115.049 1.00855.43 C ATOM 36829 N3 A B1771 -846.320 -41.204 114.790 1.00855.43 N ATOM 36830 C4 A B1771 -847.134 -42.147 114.285 1.00855.43 C ATOM 36831 P C B1772 -845.748 -48.867 115.061 1.00855.43 P ATOM 36832 O1P C B1772 -847.185 -48.492 115.101 1.00855.43 O ATOM 36833 O2P C B1772 -845.141 -49.572 116.217 1.00855.43 O ATOM 36834 O5* C B1772 -845.514 -49.754 113.756 1.00855.43 O ATOM 36835 C5* C B1772 -845.177 -51.133 113.882 1.00855.43 C ATOM 36836 C4* C B1772 -846.094 -51.993 113.036 1.00855.43 C ATOM 36837 O4* C B1772 -847.478 -51.730 113.373 1.00855.43 O ATOM 36838 C3* C B1772 -846.015 -51.793 111.528 1.00855.43 C ATOM 36839 O3* C B1772 -844.957 -52.549 110.959 1.00855.43 O ATOM 36840 C2* C B1772 -847.373 -52.302 111.058 1.00855.43 C ATOM 36841 O2* C B1772 -847.405 -53.705 110.911 1.00855.43 O ATOM 36842 C1* C B1772 -848.287 -51.892 112.216 1.00855.43 C ATOM 36843 N1 C B1772 -848.998 -50.634 111.959 1.00855.43 N ATOM 36844 C2 C B1772 -849.999 -50.618 110.979 1.00855.43 C ATOM 36845 O2 C B1772 -850.262 -51.667 110.376 1.00855.43 O ATOM 36846 N3 C B1772 -850.650 -49.462 110.720 1.00855.43 N ATOM 36847 C4 C B1772 -850.337 -48.356 111.398 1.00855.43 C ATOM 36848 N4 C B1772 -851.000 -47.235 111.104 1.00855.43 N ATOM 36849 C5 C B1772 -849.327 -48.347 112.403 1.00855.43 C ATOM 36850 C6 C B1772 -848.689 -49.496 112.648 1.00855.43 C ATOM 36851 P C B1773 -844.762 -52.579 109.363 1.00855.43 P ATOM 36852 O1P C B1773 -843.317 -52.388 109.080 1.00855.43 O ATOM 36853 O2P C B1773 -845.757 -51.671 108.739 1.00855.43 O ATOM 36854 O5* C B1773 -845.144 -54.073 108.980 1.00855.43 O ATOM 36855 C5* C B1773 -845.004 -55.132 109.928 1.00855.43 C ATOM 36856 C4* C B1773 -843.817 -55.987 109.564 1.00855.43 C ATOM 36857 O4* C B1773 -843.960 -56.400 108.181 1.00855.43 O ATOM 36858 C3* C B1773 -842.465 -55.277 109.623 1.00855.43 C ATOM 36859 O3* C B1773 -841.890 -55.343 110.926 1.00855.43 O ATOM 36860 C2* C B1773 -841.638 -56.044 108.599 1.00855.43 C ATOM 36861 O2* C B1773 -841.080 -57.226 109.137 1.00855.43 O ATOM 36862 C1* C B1773 -842.695 -56.420 107.553 1.00855.43 C ATOM 36863 N1 C B1773 -842.767 -55.525 106.387 1.00855.43 N ATOM 36864 C2 C B1773 -842.238 -55.959 105.171 1.00855.43 C ATOM 36865 O2 C B1773 -841.696 -57.073 105.112 1.00855.43 O ATOM 36866 N3 C B1773 -842.331 -55.153 104.084 1.00855.43 N ATOM 36867 C4 C B1773 -842.922 -53.959 104.189 1.00855.43 C ATOM 36868 N4 C B1773 -843.000 -53.201 103.092 1.00855.43 N ATOM 36869 C5 C B1773 -843.456 -53.490 105.422 1.00855.43 C ATOM 36870 C6 C B1773 -843.356 -54.295 106.487 1.00855.43 C ATOM 36871 P A B1774 -841.104 -54.073 111.525 1.00855.43 P ATOM 36872 O1P A B1774 -841.174 -54.168 113.005 1.00855.43 O ATOM 36873 O2P A B1774 -841.597 -52.850 110.845 1.00855.43 O ATOM 36874 O5* A B1774 -839.589 -54.311 111.094 1.00855.43 O ATOM 36875 C5* A B1774 -838.983 -55.597 111.215 1.00855.43 C ATOM 36876 C4* A B1774 -838.057 -55.842 110.048 1.00855.43 C ATOM 36877 O4* A B1774 -838.834 -55.853 108.826 1.00855.43 O ATOM 36878 C3* A B1774 -837.012 -54.753 109.868 1.00855.43 C ATOM 36879 O3* A B1774 -835.834 -55.109 110.595 1.00855.43 O ATOM 36880 C2* A B1774 -836.780 -54.732 108.358 1.00855.43 C ATOM 36881 O2* A B1774 -835.823 -55.685 107.944 1.00855.43 O ATOM 36882 C1* A B1774 -838.159 -55.127 107.817 1.00855.43 C ATOM 36883 N9 A B1774 -839.011 -54.007 107.428 1.00855.43 N ATOM 36884 C8 A B1774 -839.822 -53.234 108.228 1.00855.43 C ATOM 36885 N7 A B1774 -840.492 -52.319 107.570 1.00855.43 N ATOM 36886 C5 A B1774 -840.093 -52.494 106.251 1.00855.43 C ATOM 36887 C6 A B1774 -840.443 -51.834 105.059 1.00855.43 C ATOM 36888 N6 A B1774 -841.314 -50.826 104.998 1.00855.43 N ATOM 36889 N1 A B1774 -839.858 -52.254 103.916 1.00855.43 N ATOM 36890 C2 A B1774 -838.985 -53.267 103.977 1.00855.43 C ATOM 36891 N3 A B1774 -838.577 -53.968 105.034 1.00855.43 N ATOM 36892 C4 A B1774 -839.177 -53.526 106.153 1.00855.43 C ATOM 36893 P A B1775 -835.328 -54.183 111.809 1.00855.43 P ATOM 36894 O1P A B1775 -834.652 -55.066 112.789 1.00855.43 O ATOM 36895 O2P A B1775 -836.468 -53.341 112.245 1.00855.43 O ATOM 36896 O5* A B1775 -834.234 -53.232 111.149 1.00855.43 O ATOM 36897 C5* A B1775 -832.830 -53.448 111.342 1.00855.43 C ATOM 36898 C4* A B1775 -832.324 -52.546 112.444 1.00855.43 C ATOM 36899 O4* A B1775 -833.155 -51.360 112.434 1.00855.43 O ATOM 36900 C3* A B1775 -832.458 -53.108 113.854 1.00855.43 C ATOM 36901 O3* A B1775 -831.282 -53.791 114.277 1.00855.43 O ATOM 36902 C2* A B1775 -832.651 -51.861 114.706 1.00855.43 C ATOM 36903 O2* A B1775 -831.423 -51.250 115.055 1.00855.43 O ATOM 36904 C1* A B1775 -833.427 -50.949 113.760 1.00855.43 C ATOM 36905 N9 A B1775 -834.872 -51.008 113.953 1.00855.43 N ATOM 36906 C8 A B1775 -835.583 -51.869 114.755 1.00855.43 C ATOM 36907 N7 A B1775 -836.880 -51.682 114.710 1.00855.43 N ATOM 36908 C5 A B1775 -837.031 -50.628 113.821 1.00855.43 C ATOM 36909 C6 A B1775 -838.162 -49.953 113.338 1.00855.43 C ATOM 36910 N6 A B1775 -839.414 -50.249 113.699 1.00855.43 N ATOM 36911 N1 A B1775 -837.967 -48.943 112.461 1.00855.43 N ATOM 36912 C2 A B1775 -836.712 -48.648 112.097 1.00855.43 C ATOM 36913 N3 A B1775 -835.571 -49.210 112.476 1.00855.43 N ATOM 36914 C4 A B1775 -835.803 -50.204 113.347 1.00855.43 C ATOM 36915 P A B1776 -830.891 -55.203 113.624 1.00855.43 P ATOM 36916 O1P A B1776 -832.124 -55.806 113.062 1.00855.43 O ATOM 36917 O2P A B1776 -830.089 -55.964 114.618 1.00855.43 O ATOM 36918 O5* A B1776 -829.942 -54.795 112.413 1.00855.43 O ATOM 36919 C5* A B1776 -828.918 -53.814 112.578 1.00855.43 C ATOM 36920 C4* A B1776 -828.135 -53.666 111.296 1.00855.43 C ATOM 36921 O4* A B1776 -829.040 -53.364 110.200 1.00855.43 O ATOM 36922 C3* A B1776 -827.107 -52.547 111.256 1.00855.43 C ATOM 36923 O3* A B1776 -825.874 -52.915 111.858 1.00855.43 O ATOM 36924 C2* A B1776 -826.959 -52.289 109.764 1.00855.43 C ATOM 36925 O2* A B1776 -826.082 -53.207 109.142 1.00855.43 O ATOM 36926 C1* A B1776 -828.385 -52.526 109.261 1.00855.43 C ATOM 36927 N9 A B1776 -829.127 -51.273 109.138 1.00855.43 N ATOM 36928 C8 A B1776 -830.033 -50.739 110.021 1.00855.43 C ATOM 36929 N7 A B1776 -830.499 -49.567 109.661 1.00855.43 N ATOM 36930 C5 A B1776 -829.863 -49.315 108.453 1.00855.43 C ATOM 36931 C6 A B1776 -829.920 -48.231 107.561 1.00855.43 C ATOM 36932 N6 A B1776 -830.674 -47.145 107.764 1.00855.43 N ATOM 36933 N1 A B1776 -829.168 -48.295 106.444 1.00855.43 N ATOM 36934 C2 A B1776 -828.406 -49.380 106.244 1.00855.43 C ATOM 36935 N3 A B1776 -828.261 -50.458 107.011 1.00855.43 N ATOM 36936 C4 A B1776 -829.026 -50.365 108.112 1.00855.43 C ATOM 36937 P A B1777 -824.762 -51.790 112.139 1.00855.43 P ATOM 36938 O1P A B1777 -823.880 -52.290 113.222 1.00855.43 O ATOM 36939 O2P A B1777 -825.454 -50.484 112.304 1.00855.43 O ATOM 36940 O5* A B1777 -823.914 -51.737 110.789 1.00855.43 O ATOM 36941 C5* A B1777 -822.535 -51.379 110.820 1.00855.43 C ATOM 36942 C4* A B1777 -822.038 -51.054 109.431 1.00855.43 C ATOM 36943 O4* A B1777 -822.073 -52.233 108.594 1.00855.43 O ATOM 36944 C3* A B1777 -822.776 -50.015 108.595 1.00855.43 C ATOM 36945 O3* A B1777 -822.293 -48.741 109.014 1.00855.43 O ATOM 36946 C2* A B1777 -822.383 -50.345 107.154 1.00855.43 C ATOM 36947 O2* A B1777 -821.234 -49.641 106.729 1.00855.43 O ATOM 36948 C1* A B1777 -822.041 -51.835 107.237 1.00855.43 C ATOM 36949 N9 A B1777 -822.878 -52.748 106.452 1.00855.43 N ATOM 36950 C8 A B1777 -824.197 -52.629 106.095 1.00855.43 C ATOM 36951 N7 A B1777 -824.645 -53.638 105.387 1.00855.43 N ATOM 36952 C5 A B1777 -823.544 -54.477 105.268 1.00855.43 C ATOM 36953 C6 A B1777 -823.362 -55.721 104.631 1.00855.43 C ATOM 36954 N6 A B1777 -824.327 -56.364 103.972 1.00855.43 N ATOM 36955 N1 A B1777 -822.138 -56.289 104.705 1.00855.43 N ATOM 36956 C2 A B1777 -821.172 -55.644 105.371 1.00855.43 C ATOM 36957 N3 A B1777 -821.221 -54.478 106.007 1.00855.43 N ATOM 36958 C4 A B1777 -822.450 -53.940 105.915 1.00855.43 C ATOM 36959 P U B1778 -822.740 -47.410 108.234 1.00855.43 P ATOM 36960 O1P U B1778 -821.720 -47.129 107.191 1.00855.43 O ATOM 36961 O2P U B1778 -823.053 -46.372 109.248 1.00855.43 O ATOM 36962 O5* U B1778 -824.098 -47.809 107.503 1.00855.43 O ATOM 36963 C5* U B1778 -824.467 -47.207 106.266 1.00855.43 C ATOM 36964 C4* U B1778 -825.550 -46.180 106.489 1.00855.43 C ATOM 36965 O4* U B1778 -826.699 -46.831 107.087 1.00855.43 O ATOM 36966 C3* U B1778 -825.217 -45.027 107.429 1.00855.43 C ATOM 36967 O3* U B1778 -824.548 -43.960 106.765 1.00855.43 O ATOM 36968 C2* U B1778 -826.591 -44.607 107.941 1.00855.43 C ATOM 36969 O2* U B1778 -827.261 -43.736 107.053 1.00855.43 O ATOM 36970 C1* U B1778 -827.328 -45.946 107.997 1.00855.43 C ATOM 36971 N1 U B1778 -827.302 -46.571 109.326 1.00855.43 N ATOM 36972 C2 U B1778 -828.383 -46.363 110.161 1.00855.43 C ATOM 36973 O2 U B1778 -829.344 -45.684 109.837 1.00855.43 O ATOM 36974 N3 U B1778 -828.298 -46.980 111.383 1.00855.43 N ATOM 36975 C4 U B1778 -827.262 -47.764 111.849 1.00855.43 C ATOM 36976 O4 U B1778 -827.335 -48.259 112.975 1.00855.43 O ATOM 36977 C5 U B1778 -826.179 -47.925 110.929 1.00855.43 C ATOM 36978 C6 U B1778 -826.233 -47.340 109.731 1.00855.43 C ATOM 36979 P C B1779 -823.610 -42.961 107.607 1.00855.43 P ATOM 36980 O1P C B1779 -822.921 -42.074 106.637 1.00855.43 O ATOM 36981 O2P C B1779 -822.807 -43.762 108.568 1.00855.43 O ATOM 36982 O5* C B1779 -824.643 -42.075 108.434 1.00855.43 O ATOM 36983 C5* C B1779 -825.137 -40.849 107.904 1.00855.43 C ATOM 36984 C4* C B1779 -825.957 -40.128 108.944 1.00855.43 C ATOM 36985 O4* C B1779 -827.069 -40.966 109.362 1.00855.43 O ATOM 36986 C3* C B1779 -825.262 -39.745 110.242 1.00855.43 C ATOM 36987 O3* C B1779 -824.520 -38.540 110.106 1.00855.43 O ATOM 36988 C2* C B1779 -826.425 -39.618 111.215 1.00855.43 C ATOM 36989 O2* C B1779 -827.084 -38.371 111.116 1.00855.43 O ATOM 36990 C1* C B1779 -827.356 -40.731 110.731 1.00855.43 C ATOM 36991 N1 C B1779 -827.157 -41.985 111.472 1.00855.43 N ATOM 36992 C2 C B1779 -827.700 -42.103 112.756 1.00855.43 C ATOM 36993 O2 C B1779 -828.337 -41.150 113.229 1.00855.43 O ATOM 36994 N3 C B1779 -827.515 -43.251 113.449 1.00855.43 N ATOM 36995 C4 C B1779 -826.821 -44.253 112.908 1.00855.43 C ATOM 36996 N4 C B1779 -826.664 -45.367 113.628 1.00855.43 N ATOM 36997 C5 C B1779 -826.256 -44.159 111.601 1.00855.43 C ATOM 36998 C6 C B1779 -826.447 -43.020 110.926 1.00855.43 C ATOM 36999 P A B1780 -823.228 -38.306 111.028 1.00855.43 P ATOM 37000 O1P A B1780 -822.807 -36.892 110.850 1.00855.43 O ATOM 37001 O2P A B1780 -822.263 -39.396 110.750 1.00855.43 O ATOM 37002 O5* A B1780 -823.790 -38.499 112.507 1.00855.43 O ATOM 37003 C5* A B1780 -824.650 -37.518 113.076 1.00855.43 C ATOM 37004 C4* A B1780 -825.214 -37.986 114.382 1.00855.43 C ATOM 37005 O4* A B1780 -825.803 -39.285 114.178 1.00855.43 O ATOM 37006 C3* A B1780 -824.198 -38.168 115.482 1.00855.43 C ATOM 37007 O3* A B1780 -824.016 -36.922 116.152 1.00855.43 O ATOM 37008 C2* A B1780 -824.845 -39.237 116.351 1.00855.43 C ATOM 37009 O2* A B1780 -825.797 -38.694 117.243 1.00855.43 O ATOM 37010 C1* A B1780 -825.565 -40.093 115.301 1.00855.43 C ATOM 37011 N9 A B1780 -824.786 -41.231 114.828 1.00855.43 N ATOM 37012 C8 A B1780 -824.503 -41.555 113.525 1.00855.43 C ATOM 37013 N7 A B1780 -823.801 -42.650 113.393 1.00855.43 N ATOM 37014 C5 A B1780 -823.605 -43.076 114.701 1.00855.43 C ATOM 37015 C6 A B1780 -822.934 -44.181 115.243 1.00855.43 C ATOM 37016 N6 A B1780 -822.315 -45.107 114.503 1.00855.43 N ATOM 37017 N1 A B1780 -822.920 -44.309 116.586 1.00855.43 N ATOM 37018 C2 A B1780 -823.543 -43.382 117.325 1.00855.43 C ATOM 37019 N3 A B1780 -824.207 -42.301 116.933 1.00855.43 N ATOM 37020 C4 A B1780 -824.199 -42.206 115.594 1.00855.43 C ATOM 37021 P C B1781 -822.567 -36.230 116.167 1.00855.43 P ATOM 37022 O1P C B1781 -822.767 -34.795 116.496 1.00855.43 O ATOM 37023 O2P C B1781 -821.851 -36.604 114.921 1.00855.43 O ATOM 37024 O5* C B1781 -821.831 -36.922 117.399 1.00855.43 O ATOM 37025 C5* C B1781 -821.921 -36.352 118.705 1.00855.43 C ATOM 37026 C4* C B1781 -820.597 -36.470 119.426 1.00855.43 C ATOM 37027 O4* C B1781 -820.217 -37.860 119.566 1.00855.43 O ATOM 37028 C3* C B1781 -819.429 -35.767 118.751 1.00855.43 C ATOM 37029 O3* C B1781 -819.372 -34.394 119.122 1.00855.43 O ATOM 37030 C2* C B1781 -818.240 -36.543 119.315 1.00855.43 C ATOM 37031 O2* C B1781 -817.783 -36.058 120.557 1.00855.43 O ATOM 37032 C1* C B1781 -818.809 -37.955 119.491 1.00855.43 C ATOM 37033 N1 C B1781 -818.425 -38.906 118.435 1.00855.43 N ATOM 37034 C2 C B1781 -817.104 -39.362 118.411 1.00855.43 C ATOM 37035 O2 C B1781 -816.315 -38.957 119.274 1.00855.43 O ATOM 37036 N3 C B1781 -816.720 -40.231 117.447 1.00855.43 N ATOM 37037 C4 C B1781 -817.599 -40.641 116.535 1.00855.43 C ATOM 37038 N4 C B1781 -817.175 -41.498 115.600 1.00855.43 N ATOM 37039 C5 C B1781 -818.954 -40.194 116.536 1.00855.43 C ATOM 37040 C6 C B1781 -819.322 -39.335 117.500 1.00855.43 C ATOM 37041 P A B1782 -818.741 -33.323 118.104 1.00855.43 P ATOM 37042 O1P A B1782 -819.576 -32.106 118.137 1.00855.43 O ATOM 37043 O2P A B1782 -818.521 -34.011 116.809 1.00855.43 O ATOM 37044 O5* A B1782 -817.313 -32.978 118.729 1.00855.43 O ATOM 37045 C5* A B1782 -817.191 -32.346 120.001 1.00855.43 C ATOM 37046 C4* A B1782 -815.926 -32.793 120.682 1.00855.43 C ATOM 37047 O4* A B1782 -815.924 -34.238 120.741 1.00855.43 O ATOM 37048 C3* A B1782 -814.619 -32.422 119.999 1.00855.43 C ATOM 37049 O3* A B1782 -814.206 -31.115 120.374 1.00855.43 O ATOM 37050 C2* A B1782 -813.673 -33.522 120.467 1.00855.43 C ATOM 37051 O2* A B1782 -813.138 -33.266 121.750 1.00855.43 O ATOM 37052 C1* A B1782 -814.615 -34.729 120.531 1.00855.43 C ATOM 37053 N9 A B1782 -814.656 -35.502 119.295 1.00855.43 N ATOM 37054 C8 A B1782 -815.361 -35.186 118.161 1.00855.43 C ATOM 37055 N7 A B1782 -815.263 -36.076 117.207 1.00855.43 N ATOM 37056 C5 A B1782 -814.420 -37.039 117.746 1.00855.43 C ATOM 37057 C6 A B1782 -813.936 -38.241 117.230 1.00855.43 C ATOM 37058 N6 A B1782 -814.258 -38.689 116.010 1.00855.43 N ATOM 37059 N1 A B1782 -813.110 -38.974 118.014 1.00855.43 N ATOM 37060 C2 A B1782 -812.813 -38.514 119.240 1.00855.43 C ATOM 37061 N3 A B1782 -813.220 -37.395 119.839 1.00855.43 N ATOM 37062 C4 A B1782 -814.032 -36.695 119.028 1.00855.43 C ATOM 37063 P G B1783 -813.288 -30.258 119.375 1.00855.43 P ATOM 37064 O1P G B1783 -812.562 -29.253 120.194 1.00855.43 O ATOM 37065 O2P G B1783 -814.123 -29.811 118.230 1.00855.43 O ATOM 37066 O5* G B1783 -812.228 -31.318 118.840 1.00855.43 O ATOM 37067 C5* G B1783 -810.972 -31.472 119.492 1.00855.43 C ATOM 37068 C4* G B1783 -810.015 -32.236 118.606 1.00855.43 C ATOM 37069 O4* G B1783 -810.573 -33.525 118.244 1.00855.43 O ATOM 37070 C3* G B1783 -809.659 -31.554 117.298 1.00855.43 C ATOM 37071 O3* G B1783 -808.585 -30.643 117.491 1.00855.43 O ATOM 37072 C2* G B1783 -809.276 -32.729 116.403 1.00855.43 C ATOM 37073 O2* G B1783 -807.939 -33.142 116.580 1.00855.43 O ATOM 37074 C1* G B1783 -810.217 -33.827 116.903 1.00855.43 C ATOM 37075 N9 G B1783 -811.436 -33.941 116.108 1.00855.43 N ATOM 37076 C8 G B1783 -812.483 -33.052 116.050 1.00855.43 C ATOM 37077 N7 G B1783 -813.434 -33.437 115.244 1.00855.43 N ATOM 37078 C5 G B1783 -812.988 -34.651 114.740 1.00855.43 C ATOM 37079 C6 G B1783 -813.597 -35.536 113.816 1.00855.43 C ATOM 37080 O6 G B1783 -814.687 -35.424 113.246 1.00855.43 O ATOM 37081 N1 G B1783 -812.801 -36.654 113.579 1.00855.43 N ATOM 37082 C2 G B1783 -811.576 -36.886 114.158 1.00855.43 C ATOM 37083 N2 G B1783 -810.957 -38.025 113.805 1.00855.43 N ATOM 37084 N3 G B1783 -810.999 -36.066 115.022 1.00855.43 N ATOM 37085 C4 G B1783 -811.756 -34.975 115.264 1.00855.43 C ATOM 37086 P C B1784 -808.671 -29.175 116.844 1.00855.43 P ATOM 37087 O1P C B1784 -807.514 -28.390 117.342 1.00855.43 O ATOM 37088 O2P C B1784 -810.050 -28.659 117.039 1.00855.43 O ATOM 37089 O5* C B1784 -808.461 -29.442 115.289 1.00855.43 O ATOM 37090 C5* C B1784 -807.189 -29.828 114.782 1.00855.43 C ATOM 37091 C4* C B1784 -807.339 -30.440 113.417 1.00855.43 C ATOM 37092 O4* C B1784 -808.320 -31.510 113.462 1.00855.43 O ATOM 37093 C3* C B1784 -807.839 -29.536 112.297 1.00855.43 C ATOM 37094 O3* C B1784 -806.817 -28.707 111.758 1.00855.43 O ATOM 37095 C2* C B1784 -808.395 -30.537 111.292 1.00855.43 C ATOM 37096 O2* C B1784 -807.390 -31.117 110.488 1.00855.43 O ATOM 37097 C1* C B1784 -808.988 -31.603 112.216 1.00855.43 C ATOM 37098 N1 C B1784 -810.428 -31.403 112.454 1.00855.43 N ATOM 37099 C2 C B1784 -811.348 -31.975 111.567 1.00855.43 C ATOM 37100 O2 C B1784 -810.926 -32.639 110.608 1.00855.43 O ATOM 37101 N3 C B1784 -812.672 -31.783 111.773 1.00855.43 N ATOM 37102 C4 C B1784 -813.086 -31.060 112.814 1.00855.43 C ATOM 37103 N4 C B1784 -814.402 -30.894 112.979 1.00855.43 N ATOM 37104 C5 C B1784 -812.170 -30.472 113.736 1.00855.43 C ATOM 37105 C6 C B1784 -810.864 -30.668 113.518 1.00855.43 C ATOM 37106 P A B1785 -807.221 -27.395 110.929 1.00855.43 P ATOM 37107 O1P A B1785 -805.967 -26.742 110.475 1.00855.43 O ATOM 37108 O2P A B1785 -808.200 -26.615 111.731 1.00855.43 O ATOM 37109 O5* A B1785 -807.969 -27.982 109.657 1.00855.43 O ATOM 37110 C5* A B1785 -807.245 -28.728 108.688 1.00855.43 C ATOM 37111 C4* A B1785 -808.149 -29.154 107.560 1.00855.43 C ATOM 37112 O4* A B1785 -809.209 -30.019 108.049 1.00855.43 O ATOM 37113 C3* A B1785 -808.875 -28.059 106.814 1.00855.43 C ATOM 37114 O3* A B1785 -808.014 -27.456 105.861 1.00855.43 O ATOM 37115 C2* A B1785 -810.036 -28.810 106.167 1.00855.43 C ATOM 37116 O2* A B1785 -809.669 -29.449 104.963 1.00855.43 O ATOM 37117 C1* A B1785 -810.357 -29.865 107.229 1.00855.43 C ATOM 37118 N9 A B1785 -811.489 -29.476 108.068 1.00855.43 N ATOM 37119 C8 A B1785 -811.495 -29.160 109.405 1.00855.43 C ATOM 37120 N7 A B1785 -812.680 -28.830 109.864 1.00855.43 N ATOM 37121 C5 A B1785 -813.509 -28.940 108.757 1.00855.43 C ATOM 37122 C6 A B1785 -814.887 -28.727 108.578 1.00855.43 C ATOM 37123 N6 A B1785 -815.710 -28.337 109.556 1.00855.43 N ATOM 37124 N1 A B1785 -815.396 -28.928 107.346 1.00855.43 N ATOM 37125 C2 A B1785 -814.575 -29.317 106.364 1.00855.43 C ATOM 37126 N3 A B1785 -813.268 -29.549 106.405 1.00855.43 N ATOM 37127 C4 A B1785 -812.788 -29.341 107.645 1.00855.43 C ATOM 37128 P C B1786 -808.119 -25.879 105.596 1.00855.43 P ATOM 37129 O1P C B1786 -807.112 -25.524 104.563 1.00855.43 O ATOM 37130 O2P C B1786 -808.105 -25.183 106.907 1.00855.43 O ATOM 37131 O5* C B1786 -809.570 -25.713 104.962 1.00855.43 O ATOM 37132 C5* C B1786 -809.735 -25.633 103.549 1.00855.43 C ATOM 37133 C4* C B1786 -810.873 -24.706 103.212 1.00855.43 C ATOM 37134 O4* C B1786 -812.140 -25.391 103.398 1.00855.43 O ATOM 37135 C3* C B1786 -811.040 -23.485 104.077 1.00855.43 C ATOM 37136 O3* C B1786 -810.110 -22.475 103.731 1.00855.43 O ATOM 37137 C2* C B1786 -812.484 -23.080 103.827 1.00855.43 C ATOM 37138 O2* C B1786 -812.641 -22.328 102.638 1.00855.43 O ATOM 37139 C1* C B1786 -813.158 -24.443 103.682 1.00855.43 C ATOM 37140 N1 C B1786 -813.801 -24.824 104.947 1.00855.43 N ATOM 37141 C2 C B1786 -815.100 -24.381 105.203 1.00855.43 C ATOM 37142 O2 C B1786 -815.689 -23.717 104.338 1.00855.43 O ATOM 37143 N3 C B1786 -815.686 -24.689 106.383 1.00855.43 N ATOM 37144 C4 C B1786 -815.018 -25.411 107.287 1.00855.43 C ATOM 37145 N4 C B1786 -815.627 -25.679 108.445 1.00855.43 N ATOM 37146 C5 C B1786 -813.700 -25.890 107.048 1.00855.43 C ATOM 37147 C6 C B1786 -813.135 -25.577 105.873 1.00855.43 C ATOM 37148 P U B1787 -809.510 -21.533 104.887 1.00855.43 P ATOM 37149 O1P U B1787 -808.573 -20.570 104.259 1.00855.43 O ATOM 37150 O2P U B1787 -809.033 -22.408 105.988 1.00855.43 O ATOM 37151 O5* U B1787 -810.785 -20.735 105.409 1.00855.43 O ATOM 37152 C5* U B1787 -811.070 -19.428 104.926 1.00855.43 C ATOM 37153 C4* U B1787 -812.550 -19.264 104.670 1.00855.43 C ATOM 37154 O4* U B1787 -813.284 -20.416 105.168 1.00855.43 O ATOM 37155 C3* U B1787 -813.203 -18.056 105.312 1.00855.43 C ATOM 37156 O3* U B1787 -813.064 -16.907 104.490 1.00855.43 O ATOM 37157 C2* U B1787 -814.657 -18.496 105.463 1.00855.43 C ATOM 37158 O2* U B1787 -815.403 -18.310 104.273 1.00855.43 O ATOM 37159 C1* U B1787 -814.509 -19.990 105.749 1.00855.43 C ATOM 37160 N1 U B1787 -814.464 -20.265 107.192 1.00855.43 N ATOM 37161 C2 U B1787 -815.655 -20.588 107.839 1.00855.43 C ATOM 37162 O2 U B1787 -816.728 -20.674 107.265 1.00855.43 O ATOM 37163 N3 U B1787 -815.539 -20.799 109.192 1.00855.43 N ATOM 37164 C4 U B1787 -814.375 -20.733 109.942 1.00855.43 C ATOM 37165 O4 U B1787 -814.426 -20.936 111.157 1.00855.43 O ATOM 37166 C5 U B1787 -813.194 -20.413 109.198 1.00855.43 C ATOM 37167 C6 U B1787 -813.275 -20.197 107.885 1.00855.43 C ATOM 37168 P C B1788 -812.652 -15.508 105.165 1.00855.43 P ATOM 37169 O1P C B1788 -811.783 -14.781 104.203 1.00855.43 O ATOM 37170 O2P C B1788 -812.161 -15.776 106.542 1.00855.43 O ATOM 37171 O5* C B1788 -814.035 -14.728 105.273 1.00855.43 O ATOM 37172 C5* C B1788 -814.921 -14.677 104.161 1.00855.43 C ATOM 37173 C4* C B1788 -816.347 -14.848 104.617 1.00855.43 C ATOM 37174 O4* C B1788 -816.530 -16.164 105.199 1.00855.43 O ATOM 37175 C3* C B1788 -816.736 -13.871 105.688 1.00855.43 C ATOM 37176 O3* C B1788 -817.214 -12.690 105.063 1.00855.43 O ATOM 37177 C2* C B1788 -817.822 -14.608 106.459 1.00855.43 C ATOM 37178 O2* C B1788 -819.101 -14.476 105.869 1.00855.43 O ATOM 37179 C1* C B1788 -817.353 -16.060 106.348 1.00855.43 C ATOM 37180 N1 C B1788 -816.582 -16.478 107.529 1.00855.43 N ATOM 37181 C2 C B1788 -817.208 -17.289 108.469 1.00855.43 C ATOM 37182 O2 C B1788 -818.379 -17.637 108.268 1.00855.43 O ATOM 37183 N3 C B1788 -816.527 -17.676 109.574 1.00855.43 N ATOM 37184 C4 C B1788 -815.266 -17.277 109.751 1.00855.43 C ATOM 37185 N4 C B1788 -814.634 -17.679 110.856 1.00855.43 N ATOM 37186 C5 C B1788 -814.599 -16.448 108.803 1.00855.43 C ATOM 37187 C6 C B1788 -815.288 -16.076 107.713 1.00855.43 C ATOM 37188 P U B1789 -816.760 -11.257 105.633 1.00855.43 P ATOM 37189 O1P U B1789 -817.157 -10.237 104.626 1.00855.43 O ATOM 37190 O2P U B1789 -815.341 -11.353 106.060 1.00855.43 O ATOM 37191 O5* U B1789 -817.661 -11.056 106.929 1.00855.43 O ATOM 37192 C5* U B1789 -819.066 -10.901 106.797 1.00855.43 C ATOM 37193 C4* U B1789 -819.763 -11.147 108.115 1.00855.43 C ATOM 37194 O4* U B1789 -819.525 -12.503 108.568 1.00855.43 O ATOM 37195 C3* U B1789 -819.286 -10.256 109.226 1.00855.43 C ATOM 37196 O3* U B1789 -820.048 -9.059 109.215 1.00855.43 O ATOM 37197 C2* U B1789 -819.598 -11.076 110.474 1.00855.43 C ATOM 37198 O2* U B1789 -820.932 -10.915 110.904 1.00855.43 O ATOM 37199 C1* U B1789 -819.396 -12.507 109.978 1.00855.43 C ATOM 37200 N1 U B1789 -818.072 -13.028 110.333 1.00855.43 N ATOM 37201 C2 U B1789 -817.939 -13.621 111.571 1.00855.43 C ATOM 37202 O2 U B1789 -818.877 -13.744 112.341 1.00855.43 O ATOM 37203 N3 U B1789 -816.677 -14.059 111.873 1.00855.43 N ATOM 37204 C4 U B1789 -815.556 -13.970 111.074 1.00855.43 C ATOM 37205 O4 U B1789 -814.479 -14.400 111.493 1.00855.43 O ATOM 37206 C5 U B1789 -815.778 -13.360 109.800 1.00855.43 C ATOM 37207 C6 U B1789 -817.000 -12.921 109.483 1.00855.43 C ATOM 37208 P G B1790 -819.303 -7.639 109.108 1.00855.43 P ATOM 37209 O1P G B1790 -820.373 -6.617 109.038 1.00855.43 O ATOM 37210 O2P G B1790 -818.287 -7.714 108.026 1.00855.43 O ATOM 37211 O5* G B1790 -818.549 -7.472 110.502 1.00855.43 O ATOM 37212 C5* G B1790 -819.179 -7.865 111.718 1.00855.43 C ATOM 37213 C4* G B1790 -818.164 -8.436 112.681 1.00855.43 C ATOM 37214 O4* G B1790 -817.597 -9.670 112.176 1.00855.43 O ATOM 37215 C3* G B1790 -816.971 -7.532 112.940 1.00855.43 C ATOM 37216 O3* G B1790 -817.243 -6.612 113.969 1.00855.43 O ATOM 37217 C2* G B1790 -815.893 -8.504 113.378 1.00855.43 C ATOM 37218 O2* G B1790 -815.964 -8.803 114.754 1.00855.43 O ATOM 37219 C1* G B1790 -816.230 -9.734 112.540 1.00855.43 C ATOM 37220 N9 G B1790 -815.414 -9.762 111.335 1.00855.43 N ATOM 37221 C8 G B1790 -815.826 -9.704 110.026 1.00855.43 C ATOM 37222 N7 G B1790 -814.833 -9.726 109.177 1.00855.43 N ATOM 37223 C5 G B1790 -813.705 -9.807 109.983 1.00855.43 C ATOM 37224 C6 G B1790 -812.334 -9.863 109.644 1.00855.43 C ATOM 37225 O6 G B1790 -811.814 -9.834 108.523 1.00855.43 O ATOM 37226 N1 G B1790 -811.537 -9.955 110.778 1.00855.43 N ATOM 37227 C2 G B1790 -811.996 -9.967 112.073 1.00855.43 C ATOM 37228 N2 G B1790 -811.070 -10.034 113.034 1.00855.43 N ATOM 37229 N3 G B1790 -813.263 -9.912 112.397 1.00855.43 N ATOM 37230 C4 G B1790 -814.054 -9.836 111.314 1.00855.43 C ATOM 37231 P C B1791 -817.230 -5.052 113.643 1.00855.43 P ATOM 37232 O1P C B1791 -818.103 -4.885 112.460 1.00855.43 O ATOM 37233 O2P C B1791 -815.830 -4.569 113.587 1.00855.43 O ATOM 37234 O5* C B1791 -817.985 -4.416 114.883 1.00855.43 O ATOM 37235 C5* C B1791 -818.804 -3.284 114.685 1.00855.43 C ATOM 37236 C4* C B1791 -820.259 -3.621 114.902 1.00855.43 C ATOM 37237 O4* C B1791 -820.566 -4.952 114.412 1.00855.43 O ATOM 37238 C3* C B1791 -820.766 -3.588 116.344 1.00855.43 C ATOM 37239 O3* C B1791 -821.102 -2.269 116.758 1.00855.43 O ATOM 37240 C2* C B1791 -821.997 -4.489 116.263 1.00855.43 C ATOM 37241 O2* C B1791 -823.113 -3.781 115.770 1.00855.43 O ATOM 37242 C1* C B1791 -821.577 -5.530 115.221 1.00855.43 C ATOM 37243 N1 C B1791 -821.085 -6.812 115.769 1.00855.43 N ATOM 37244 C2 C B1791 -821.898 -7.556 116.656 1.00855.43 C ATOM 37245 O2 C B1791 -822.988 -7.107 117.024 1.00855.43 O ATOM 37246 N3 C B1791 -821.464 -8.750 117.101 1.00855.43 N ATOM 37247 C4 C B1791 -820.274 -9.209 116.719 1.00855.43 C ATOM 37248 N4 C B1791 -819.897 -10.406 117.177 1.00855.43 N ATOM 37249 C5 C B1791 -819.420 -8.474 115.852 1.00855.43 C ATOM 37250 C6 C B1791 -819.860 -7.291 115.402 1.00855.43 C ATOM 37251 P C B1792 -821.842 -2.034 118.163 1.00855.43 P ATOM 37252 O1P C B1792 -821.662 -0.604 118.516 1.00855.43 O ATOM 37253 O2P C B1792 -821.397 -3.084 119.114 1.00855.43 O ATOM 37254 O5* C B1792 -823.380 -2.267 117.825 1.00855.43 O ATOM 37255 C5* C B1792 -824.158 -3.227 118.534 1.00855.43 C ATOM 37256 C4* C B1792 -825.604 -3.128 118.113 1.00855.43 C ATOM 37257 O4* C B1792 -826.020 -1.749 118.274 1.00855.43 O ATOM 37258 C3* C B1792 -825.939 -3.472 116.659 1.00855.43 C ATOM 37259 O3* C B1792 -826.179 -4.869 116.514 1.00855.43 O ATOM 37260 C2* C B1792 -827.188 -2.640 116.399 1.00855.43 C ATOM 37261 O2* C B1792 -828.366 -3.267 116.867 1.00855.43 O ATOM 37262 C1* C B1792 -826.907 -1.387 117.232 1.00855.43 C ATOM 37263 N1 C B1792 -826.273 -0.305 116.467 1.00855.43 N ATOM 37264 C2 C B1792 -827.067 0.501 115.646 1.00855.43 C ATOM 37265 O2 C B1792 -828.284 0.279 115.584 1.00855.43 O ATOM 37266 N3 C B1792 -826.485 1.505 114.945 1.00855.43 N ATOM 37267 C4 C B1792 -825.170 1.710 115.041 1.00855.43 C ATOM 37268 N4 C B1792 -824.641 2.713 114.334 1.00855.43 N ATOM 37269 C5 C B1792 -824.340 0.900 115.864 1.00855.43 C ATOM 37270 C6 C B1792 -824.926 -0.086 116.552 1.00855.43 C ATOM 37271 P A B1793 -826.588 -5.470 115.078 1.00855.43 P ATOM 37272 O1P A B1793 -826.868 -4.335 114.162 1.00855.43 O ATOM 37273 O2P A B1793 -827.626 -6.511 115.292 1.00855.43 O ATOM 37274 O5* A B1793 -825.269 -6.194 114.560 1.00855.43 O ATOM 37275 C5* A B1793 -824.538 -5.680 113.447 1.00855.43 C ATOM 37276 C4* A B1793 -823.852 -6.804 112.713 1.00855.43 C ATOM 37277 O4* A B1793 -822.952 -7.490 113.621 1.00855.43 O ATOM 37278 C3* A B1793 -824.715 -7.919 112.127 1.00855.43 C ATOM 37279 O3* A B1793 -825.307 -7.565 110.881 1.00855.43 O ATOM 37280 C2* A B1793 -823.732 -9.077 112.025 1.00855.43 C ATOM 37281 O2* A B1793 -822.917 -8.999 110.872 1.00855.43 O ATOM 37282 C1* A B1793 -822.871 -8.861 113.274 1.00855.43 C ATOM 37283 N9 A B1793 -823.327 -9.638 114.425 1.00855.43 N ATOM 37284 C8 A B1793 -824.442 -9.404 115.189 1.00855.43 C ATOM 37285 N7 A B1793 -824.603 -10.261 116.169 1.00855.43 N ATOM 37286 C5 A B1793 -823.523 -11.124 116.035 1.00855.43 C ATOM 37287 C6 A B1793 -823.118 -12.250 116.767 1.00855.43 C ATOM 37288 N6 A B1793 -823.783 -12.725 117.825 1.00855.43 N ATOM 37289 N1 A B1793 -821.995 -12.888 116.373 1.00855.43 N ATOM 37290 C2 A B1793 -821.331 -12.413 115.314 1.00855.43 C ATOM 37291 N3 A B1793 -821.608 -11.360 114.544 1.00855.43 N ATOM 37292 C4 A B1793 -822.730 -10.751 114.963 1.00855.43 C ATOM 37293 P A B1794 -826.485 -8.475 110.275 1.00855.43 P ATOM 37294 O1P A B1794 -827.117 -7.704 109.176 1.00855.43 O ATOM 37295 O2P A B1794 -827.321 -8.981 111.392 1.00855.43 O ATOM 37296 O5* A B1794 -825.707 -9.706 109.632 1.00855.43 O ATOM 37297 C5* A B1794 -824.843 -9.498 108.528 1.00855.43 C ATOM 37298 C4* A B1794 -823.985 -10.716 108.287 1.00855.43 C ATOM 37299 O4* A B1794 -823.201 -11.021 109.454 1.00855.43 O ATOM 37300 C3* A B1794 -824.740 -11.985 107.941 1.00855.43 C ATOM 37301 O3* A B1794 -825.017 -12.031 106.544 1.00855.43 O ATOM 37302 C2* A B1794 -823.763 -13.072 108.375 1.00855.43 C ATOM 37303 O2* A B1794 -822.787 -13.356 107.391 1.00855.43 O ATOM 37304 C1* A B1794 -823.078 -12.418 109.583 1.00855.43 C ATOM 37305 N9 A B1794 -823.684 -12.775 110.859 1.00855.43 N ATOM 37306 C8 A B1794 -824.904 -12.355 111.329 1.00855.43 C ATOM 37307 N7 A B1794 -825.194 -12.814 112.517 1.00855.43 N ATOM 37308 C5 A B1794 -824.097 -13.591 112.855 1.00855.43 C ATOM 37309 C6 A B1794 -823.794 -14.343 113.995 1.00855.43 C ATOM 37310 N6 A B1794 -824.603 -14.435 115.051 1.00855.43 N ATOM 37311 N1 A B1794 -822.616 -15.005 114.016 1.00855.43 N ATOM 37312 C2 A B1794 -821.806 -14.902 112.953 1.00855.43 C ATOM 37313 N3 A B1794 -821.981 -14.223 111.823 1.00855.43 N ATOM 37314 C4 A B1794 -823.161 -13.579 111.839 1.00855.43 C ATOM 37315 P C B1795 -826.538 -12.067 106.033 1.00855.43 P ATOM 37316 O1P C B1795 -826.508 -12.391 104.583 1.00855.43 O ATOM 37317 O2P C B1795 -827.244 -10.846 106.498 1.00855.43 O ATOM 37318 O5* C B1795 -827.144 -13.320 106.794 1.00855.43 O ATOM 37319 C5* C B1795 -826.876 -14.617 106.315 1.00855.43 C ATOM 37320 C4* C B1795 -827.497 -15.654 107.208 1.00855.43 C ATOM 37321 O4* C B1795 -826.936 -15.628 108.536 1.00855.43 O ATOM 37322 C3* C B1795 -829.011 -15.516 107.363 1.00855.43 C ATOM 37323 O3* C B1795 -829.743 -16.132 106.316 1.00855.43 O ATOM 37324 C2* C B1795 -829.248 -16.226 108.700 1.00855.43 C ATOM 37325 O2* C B1795 -829.389 -17.630 108.613 1.00855.43 O ATOM 37326 C1* C B1795 -827.963 -15.903 109.471 1.00855.43 C ATOM 37327 N1 C B1795 -828.142 -14.726 110.314 1.00855.43 N ATOM 37328 C2 C B1795 -828.500 -14.908 111.647 1.00855.43 C ATOM 37329 O2 C B1795 -828.617 -16.065 112.084 1.00855.43 O ATOM 37330 N3 C B1795 -828.715 -13.826 112.424 1.00855.43 N ATOM 37331 C4 C B1795 -828.569 -12.601 111.910 1.00855.43 C ATOM 37332 N4 C B1795 -828.800 -11.557 112.708 1.00855.43 N ATOM 37333 C5 C B1795 -828.182 -12.390 110.556 1.00855.43 C ATOM 37334 C6 C B1795 -827.979 -13.472 109.803 1.00855.43 C ATOM 37335 P A B1796 -831.246 -15.680 106.011 1.00855.43 P ATOM 37336 O1P A B1796 -831.645 -16.343 104.740 1.00855.43 O ATOM 37337 O2P A B1796 -831.315 -14.202 106.121 1.00855.43 O ATOM 37338 O5* A B1796 -832.077 -16.336 107.198 1.00855.43 O ATOM 37339 C5* A B1796 -832.063 -17.747 107.388 1.00855.43 C ATOM 37340 C4* A B1796 -832.708 -18.107 108.705 1.00855.43 C ATOM 37341 O4* A B1796 -831.906 -17.611 109.806 1.00855.43 O ATOM 37342 C3* A B1796 -834.077 -17.486 108.914 1.00855.43 C ATOM 37343 O3* A B1796 -835.095 -18.272 108.307 1.00855.43 O ATOM 37344 C2* A B1796 -834.201 -17.465 110.433 1.00855.43 C ATOM 37345 O2* A B1796 -834.643 -18.702 110.958 1.00855.43 O ATOM 37346 C1* A B1796 -832.756 -17.210 110.865 1.00855.43 C ATOM 37347 N9 A B1796 -832.508 -15.800 111.170 1.00855.43 N ATOM 37348 C8 A B1796 -831.786 -14.873 110.462 1.00855.43 C ATOM 37349 N7 A B1796 -831.783 -13.677 111.006 1.00855.43 N ATOM 37350 C5 A B1796 -832.553 -13.829 112.151 1.00855.43 C ATOM 37351 C6 A B1796 -832.937 -12.929 113.167 1.00855.43 C ATOM 37352 N6 A B1796 -832.591 -11.641 113.197 1.00855.43 N ATOM 37353 N1 A B1796 -833.710 -13.409 114.168 1.00855.43 N ATOM 37354 C2 A B1796 -834.067 -14.702 114.142 1.00855.43 C ATOM 37355 N3 A B1796 -833.769 -15.639 113.247 1.00855.43 N ATOM 37356 C4 A B1796 -833.003 -15.131 112.265 1.00855.43 C ATOM 37357 P C B1797 -835.715 -17.813 106.899 1.00855.43 P ATOM 37358 O1P C B1797 -835.878 -19.031 106.069 1.00855.43 O ATOM 37359 O2P C B1797 -834.908 -16.678 106.384 1.00855.43 O ATOM 37360 O5* C B1797 -837.163 -17.264 107.277 1.00855.43 O ATOM 37361 C5* C B1797 -838.192 -18.158 107.683 1.00855.43 C ATOM 37362 C4* C B1797 -838.866 -17.658 108.943 1.00855.43 C ATOM 37363 O4* C B1797 -837.873 -17.401 109.972 1.00855.43 O ATOM 37364 C3* C B1797 -839.647 -16.369 108.819 1.00855.43 C ATOM 37365 O3* C B1797 -840.964 -16.670 108.373 1.00855.43 O ATOM 37366 C2* C B1797 -839.649 -15.831 110.245 1.00855.43 C ATOM 37367 O2* C B1797 -840.684 -16.377 111.039 1.00855.43 O ATOM 37368 C1* C B1797 -838.291 -16.302 110.768 1.00855.43 C ATOM 37369 N1 C B1797 -837.277 -15.239 110.680 1.00855.43 N ATOM 37370 C2 C B1797 -837.092 -14.391 111.779 1.00855.43 C ATOM 37371 O2 C B1797 -837.759 -14.579 112.807 1.00855.43 O ATOM 37372 N3 C B1797 -836.189 -13.390 111.693 1.00855.43 N ATOM 37373 C4 C B1797 -835.486 -13.220 110.574 1.00855.43 C ATOM 37374 N4 C B1797 -834.620 -12.206 110.528 1.00855.43 N ATOM 37375 C5 C B1797 -835.644 -14.077 109.446 1.00855.43 C ATOM 37376 C6 C B1797 -836.540 -15.067 109.541 1.00855.43 C ATOM 37377 P G B1798 -841.855 -15.513 107.695 1.00855.43 P ATOM 37378 O1P G B1798 -843.280 -15.868 107.911 1.00855.43 O ATOM 37379 O2P G B1798 -841.353 -15.287 106.316 1.00855.43 O ATOM 37380 O5* G B1798 -841.535 -14.213 108.563 1.00855.43 O ATOM 37381 C5* G B1798 -842.435 -13.775 109.574 1.00855.43 C ATOM 37382 C4* G B1798 -842.144 -12.342 109.952 1.00855.43 C ATOM 37383 O4* G B1798 -840.768 -12.226 110.399 1.00855.43 O ATOM 37384 C3* G B1798 -842.254 -11.399 108.776 1.00855.43 C ATOM 37385 O3* G B1798 -843.584 -10.949 108.549 1.00855.43 O ATOM 37386 C2* G B1798 -841.301 -10.270 109.156 1.00855.43 C ATOM 37387 O2* G B1798 -841.870 -9.348 110.058 1.00855.43 O ATOM 37388 C1* G B1798 -840.196 -11.033 109.885 1.00855.43 C ATOM 37389 N9 G B1798 -839.124 -11.394 108.965 1.00855.43 N ATOM 37390 C8 G B1798 -839.199 -12.265 107.907 1.00855.43 C ATOM 37391 N7 G B1798 -838.081 -12.353 107.235 1.00855.43 N ATOM 37392 C5 G B1798 -837.216 -11.492 107.898 1.00855.43 C ATOM 37393 C6 G B1798 -835.862 -11.164 107.629 1.00855.43 C ATOM 37394 O6 G B1798 -835.135 -11.576 106.718 1.00855.43 O ATOM 37395 N1 G B1798 -835.366 -10.249 108.550 1.00855.43 N ATOM 37396 C2 G B1798 -836.077 -9.718 109.602 1.00855.43 C ATOM 37397 N2 G B1798 -835.415 -8.856 110.384 1.00855.43 N ATOM 37398 N3 G B1798 -837.339 -10.014 109.857 1.00855.43 N ATOM 37399 C4 G B1798 -837.841 -10.899 108.972 1.00855.43 C ATOM 37400 P A B1799 -844.071 -10.662 107.042 1.00855.43 P ATOM 37401 O1P A B1799 -845.369 -9.946 107.116 1.00855.43 O ATOM 37402 O2P A B1799 -843.982 -11.937 106.284 1.00855.43 O ATOM 37403 O5* A B1799 -842.981 -9.661 106.448 1.00855.43 O ATOM 37404 C5* A B1799 -841.867 -10.160 105.716 1.00855.43 C ATOM 37405 C4* A B1799 -841.502 -9.217 104.589 1.00855.43 C ATOM 37406 O4* A B1799 -842.620 -9.098 103.677 1.00855.43 O ATOM 37407 C3* A B1799 -841.207 -7.776 104.951 1.00855.43 C ATOM 37408 O3* A B1799 -839.860 -7.685 105.415 1.00855.43 O ATOM 37409 C2* A B1799 -841.446 -7.022 103.644 1.00855.43 C ATOM 37410 O2* A B1799 -840.305 -7.015 102.807 1.00855.43 O ATOM 37411 C1* A B1799 -842.545 -7.865 102.987 1.00855.43 C ATOM 37412 N9 A B1799 -843.866 -7.236 103.032 1.00855.43 N ATOM 37413 C8 A B1799 -844.820 -7.364 104.009 1.00855.43 C ATOM 37414 N7 A B1799 -845.912 -6.674 103.777 1.00855.43 N ATOM 37415 C5 A B1799 -845.659 -6.050 102.563 1.00855.43 C ATOM 37416 C6 A B1799 -846.423 -5.177 101.772 1.00855.43 C ATOM 37417 N6 A B1799 -847.650 -4.759 102.101 1.00855.43 N ATOM 37418 N1 A B1799 -845.880 -4.740 100.614 1.00855.43 N ATOM 37419 C2 A B1799 -844.651 -5.157 100.287 1.00855.43 C ATOM 37420 N3 A B1799 -843.831 -5.973 100.948 1.00855.43 N ATOM 37421 C4 A B1799 -844.401 -6.392 102.091 1.00855.43 C ATOM 37422 P A B1800 -839.233 -6.256 105.816 1.00855.43 P ATOM 37423 O1P A B1800 -838.957 -5.518 104.558 1.00855.43 O ATOM 37424 O2P A B1800 -838.130 -6.507 106.776 1.00855.43 O ATOM 37425 O5* A B1800 -840.394 -5.493 106.593 1.00855.43 O ATOM 37426 C5* A B1800 -840.093 -4.381 107.443 1.00855.43 C ATOM 37427 C4* A B1800 -840.869 -4.488 108.733 1.00855.43 C ATOM 37428 O4* A B1800 -842.247 -4.123 108.496 1.00855.43 O ATOM 37429 C3* A B1800 -840.933 -5.881 109.371 1.00855.43 C ATOM 37430 O3* A B1800 -839.830 -6.164 110.229 1.00855.43 O ATOM 37431 C2* A B1800 -842.222 -5.812 110.186 1.00855.43 C ATOM 37432 O2* A B1800 -842.013 -5.232 111.455 1.00855.43 O ATOM 37433 C1* A B1800 -843.092 -4.872 109.345 1.00855.43 C ATOM 37434 N9 A B1800 -844.107 -5.512 108.518 1.00855.43 N ATOM 37435 C8 A B1800 -844.271 -5.434 107.156 1.00855.43 C ATOM 37436 N7 A B1800 -845.320 -6.088 106.712 1.00855.43 N ATOM 37437 C5 A B1800 -845.878 -6.640 107.857 1.00855.43 C ATOM 37438 C6 A B1800 -847.014 -7.443 108.064 1.00855.43 C ATOM 37439 N6 A B1800 -847.835 -7.832 107.087 1.00855.43 N ATOM 37440 N1 A B1800 -847.284 -7.835 109.329 1.00855.43 N ATOM 37441 C2 A B1800 -846.465 -7.435 110.311 1.00855.43 C ATOM 37442 N3 A B1800 -845.375 -6.677 110.243 1.00855.43 N ATOM 37443 C4 A B1800 -845.133 -6.307 108.974 1.00855.43 C ATOM 37444 P C B1801 -839.212 -7.644 110.292 1.00855.43 P ATOM 37445 O1P C B1801 -839.238 -8.198 108.917 1.00855.43 O ATOM 37446 O2P C B1801 -839.862 -8.394 111.400 1.00855.43 O ATOM 37447 O5* C B1801 -837.688 -7.387 110.687 1.00855.43 O ATOM 37448 C5* C B1801 -837.352 -6.471 111.728 1.00855.43 C ATOM 37449 C4* C B1801 -836.389 -5.421 111.219 1.00855.43 C ATOM 37450 O4* C B1801 -836.989 -4.723 110.097 1.00855.43 O ATOM 37451 C3* C B1801 -836.033 -4.328 112.196 1.00855.43 C ATOM 37452 O3* C B1801 -834.957 -4.752 113.025 1.00855.43 O ATOM 37453 C2* C B1801 -835.632 -3.167 111.291 1.00855.43 C ATOM 37454 O2* C B1801 -834.285 -3.242 110.872 1.00855.43 O ATOM 37455 C1* C B1801 -836.555 -3.375 110.085 1.00855.43 C ATOM 37456 N1 C B1801 -837.743 -2.507 110.111 1.00855.43 N ATOM 37457 C2 C B1801 -837.887 -1.533 109.116 1.00855.43 C ATOM 37458 O2 C B1801 -837.016 -1.428 108.242 1.00855.43 O ATOM 37459 N3 C B1801 -838.978 -0.732 109.133 1.00855.43 N ATOM 37460 C4 C B1801 -839.896 -0.874 110.092 1.00855.43 C ATOM 37461 N4 C B1801 -840.955 -0.063 110.071 1.00855.43 N ATOM 37462 C5 C B1801 -839.771 -1.857 111.115 1.00855.43 C ATOM 37463 C6 C B1801 -838.690 -2.647 111.085 1.00855.43 C ATOM 37464 P A B1802 -835.007 -4.463 114.608 1.00855.43 P ATOM 37465 O1P A B1802 -834.106 -3.313 114.880 1.00855.43 O ATOM 37466 O2P A B1802 -834.790 -5.747 115.321 1.00855.43 O ATOM 37467 O5* A B1802 -836.504 -3.995 114.883 1.00855.43 O ATOM 37468 C5* A B1802 -836.800 -2.635 115.178 1.00855.43 C ATOM 37469 C4* A B1802 -838.140 -2.521 115.868 1.00855.43 C ATOM 37470 O4* A B1802 -839.205 -2.851 114.939 1.00855.43 O ATOM 37471 C3* A B1802 -838.307 -3.505 117.019 1.00855.43 C ATOM 37472 O3* A B1802 -837.784 -3.019 118.252 1.00855.43 O ATOM 37473 C2* A B1802 -839.820 -3.681 117.088 1.00855.43 C ATOM 37474 O2* A B1802 -840.459 -2.658 117.825 1.00855.43 O ATOM 37475 C1* A B1802 -840.216 -3.582 115.614 1.00855.43 C ATOM 37476 N9 A B1802 -840.343 -4.896 114.994 1.00855.43 N ATOM 37477 C8 A B1802 -839.360 -5.816 114.732 1.00855.43 C ATOM 37478 N7 A B1802 -839.798 -6.914 114.169 1.00855.43 N ATOM 37479 C5 A B1802 -841.164 -6.705 114.048 1.00855.43 C ATOM 37480 C6 A B1802 -842.202 -7.496 113.528 1.00855.43 C ATOM 37481 N6 A B1802 -842.018 -8.713 113.008 1.00855.43 N ATOM 37482 N1 A B1802 -843.454 -6.993 113.564 1.00855.43 N ATOM 37483 C2 A B1802 -843.640 -5.773 114.081 1.00855.43 C ATOM 37484 N3 A B1802 -842.747 -4.934 114.601 1.00855.43 N ATOM 37485 C4 A B1802 -841.514 -5.464 114.552 1.00855.43 C ATOM 37486 P G B1803 -836.486 -3.718 118.894 1.00855.43 P ATOM 37487 O1P G B1803 -836.420 -3.298 120.316 1.00855.43 O ATOM 37488 O2P G B1803 -835.327 -3.466 118.001 1.00855.43 O ATOM 37489 O5* G B1803 -836.816 -5.276 118.855 1.00855.43 O ATOM 37490 C5* G B1803 -837.794 -5.839 119.729 1.00855.43 C ATOM 37491 C4* G B1803 -837.702 -7.350 119.724 1.00855.43 C ATOM 37492 O4* G B1803 -838.290 -7.884 118.509 1.00855.43 O ATOM 37493 C3* G B1803 -836.330 -8.005 119.780 1.00855.43 C ATOM 37494 O3* G B1803 -835.786 -8.030 121.096 1.00855.43 O ATOM 37495 C2* G B1803 -836.610 -9.408 119.247 1.00855.43 C ATOM 37496 O2* G B1803 -837.122 -10.275 120.237 1.00855.43 O ATOM 37497 C1* G B1803 -837.695 -9.133 118.200 1.00855.43 C ATOM 37498 N9 G B1803 -837.153 -9.072 116.844 1.00855.43 N ATOM 37499 C8 G B1803 -836.833 -7.944 116.130 1.00855.43 C ATOM 37500 N7 G B1803 -836.353 -8.209 114.945 1.00855.43 N ATOM 37501 C5 G B1803 -836.361 -9.594 114.869 1.00855.43 C ATOM 37502 C6 G B1803 -835.949 -10.465 113.821 1.00855.43 C ATOM 37503 O6 G B1803 -835.482 -10.173 112.715 1.00855.43 O ATOM 37504 N1 G B1803 -836.130 -11.799 114.163 1.00855.43 N ATOM 37505 C2 G B1803 -836.638 -12.247 115.356 1.00855.43 C ATOM 37506 N2 G B1803 -836.733 -13.579 115.490 1.00855.43 N ATOM 37507 N3 G B1803 -837.020 -11.449 116.344 1.00855.43 N ATOM 37508 C4 G B1803 -836.855 -10.143 116.032 1.00855.43 C ATOM 37509 P U B1804 -834.463 -7.178 121.426 1.00855.43 P ATOM 37510 O1P U B1804 -834.729 -6.426 122.679 1.00855.43 O ATOM 37511 O2P U B1804 -834.056 -6.448 120.201 1.00855.43 O ATOM 37512 O5* U B1804 -833.368 -8.291 121.742 1.00855.43 O ATOM 37513 C5* U B1804 -833.514 -9.146 122.870 1.00855.43 C ATOM 37514 C4* U B1804 -833.804 -10.562 122.430 1.00855.43 C ATOM 37515 O4* U B1804 -834.716 -10.558 121.304 1.00855.43 O ATOM 37516 C3* U B1804 -832.588 -11.379 121.998 1.00855.43 C ATOM 37517 O3* U B1804 -831.927 -12.014 123.090 1.00855.43 O ATOM 37518 C2* U B1804 -833.240 -12.414 121.087 1.00855.43 C ATOM 37519 O2* U B1804 -833.812 -13.480 121.790 1.00855.43 O ATOM 37520 C1* U B1804 -834.376 -11.626 120.441 1.00855.43 C ATOM 37521 N1 U B1804 -833.987 -11.115 119.121 1.00855.43 N ATOM 37522 C2 U B1804 -834.377 -11.868 118.026 1.00855.43 C ATOM 37523 O2 U B1804 -835.063 -12.872 118.127 1.00855.43 O ATOM 37524 N3 U B1804 -833.938 -11.404 116.816 1.00855.43 N ATOM 37525 C4 U B1804 -833.171 -10.285 116.586 1.00855.43 C ATOM 37526 O4 U B1804 -832.792 -10.041 115.436 1.00855.43 O ATOM 37527 C5 U B1804 -832.832 -9.540 117.765 1.00855.43 C ATOM 37528 C6 U B1804 -833.246 -9.971 118.964 1.00855.43 C ATOM 37529 P G B1805 -830.474 -12.664 122.873 1.00855.43 P ATOM 37530 O1P G B1805 -829.959 -13.081 124.199 1.00855.43 O ATOM 37531 O2P G B1805 -829.671 -11.738 122.030 1.00855.43 O ATOM 37532 O5* G B1805 -830.746 -13.980 122.017 1.00855.43 O ATOM 37533 C5* G B1805 -831.502 -15.056 122.565 1.00855.43 C ATOM 37534 C4* G B1805 -831.804 -16.074 121.495 1.00855.43 C ATOM 37535 O4* G B1805 -832.459 -15.403 120.397 1.00855.43 O ATOM 37536 C3* G B1805 -830.573 -16.730 120.904 1.00855.43 C ATOM 37537 O3* G B1805 -830.266 -17.902 121.636 1.00855.43 O ATOM 37538 C2* G B1805 -831.000 -17.051 119.474 1.00855.43 C ATOM 37539 O2* G B1805 -831.726 -18.264 119.388 1.00855.43 O ATOM 37540 C1* G B1805 -831.959 -15.905 119.175 1.00855.43 C ATOM 37541 N9 G B1805 -831.465 -14.787 118.388 1.00855.43 N ATOM 37542 C8 G B1805 -831.243 -13.503 118.826 1.00855.43 C ATOM 37543 N7 G B1805 -830.819 -12.708 117.886 1.00855.43 N ATOM 37544 C5 G B1805 -830.750 -13.514 116.758 1.00855.43 C ATOM 37545 C6 G B1805 -830.350 -13.208 115.438 1.00855.43 C ATOM 37546 O6 G B1805 -829.963 -12.125 114.984 1.00855.43 O ATOM 37547 N1 G B1805 -830.429 -14.319 114.607 1.00855.43 N ATOM 37548 C2 G B1805 -830.842 -15.571 114.998 1.00855.43 C ATOM 37549 N2 G B1805 -830.847 -16.515 114.050 1.00855.43 N ATOM 37550 N3 G B1805 -831.220 -15.868 116.229 1.00855.43 N ATOM 37551 C4 G B1805 -831.148 -14.801 117.052 1.00855.43 C ATOM 37552 P G B1806 -828.845 -18.021 122.367 1.00855.43 P ATOM 37553 O1P G B1806 -828.784 -19.365 122.996 1.00855.43 O ATOM 37554 O2P G B1806 -828.652 -16.809 123.197 1.00855.43 O ATOM 37555 O5* G B1806 -827.805 -17.972 121.165 1.00855.43 O ATOM 37556 C5* G B1806 -826.702 -17.068 121.166 1.00855.43 C ATOM 37557 C4* G B1806 -826.192 -16.901 119.755 1.00855.43 C ATOM 37558 O4* G B1806 -827.204 -16.257 118.963 1.00855.43 O ATOM 37559 C3* G B1806 -824.973 -16.014 119.639 1.00855.43 C ATOM 37560 O3* G B1806 -823.801 -16.782 119.842 1.00855.43 O ATOM 37561 C2* G B1806 -825.084 -15.485 118.214 1.00855.43 C ATOM 37562 O2* G B1806 -824.571 -16.396 117.262 1.00855.43 O ATOM 37563 C1* G B1806 -826.603 -15.384 118.035 1.00855.43 C ATOM 37564 N9 G B1806 -827.175 -14.072 118.296 1.00855.43 N ATOM 37565 C8 G B1806 -827.757 -13.673 119.470 1.00855.43 C ATOM 37566 N7 G B1806 -828.199 -12.447 119.432 1.00855.43 N ATOM 37567 C5 G B1806 -827.886 -12.014 118.154 1.00855.43 C ATOM 37568 C6 G B1806 -828.119 -10.769 117.530 1.00855.43 C ATOM 37569 O6 G B1806 -828.664 -9.764 118.000 1.00855.43 O ATOM 37570 N1 G B1806 -827.646 -10.756 116.225 1.00855.43 N ATOM 37571 C2 G B1806 -827.025 -11.806 115.597 1.00855.43 C ATOM 37572 N2 G B1806 -826.639 -11.592 114.335 1.00855.43 N ATOM 37573 N3 G B1806 -826.799 -12.977 116.168 1.00855.43 N ATOM 37574 C4 G B1806 -827.252 -13.011 117.438 1.00855.43 C ATOM 37575 P A B1807 -822.901 -16.508 121.136 1.00855.43 P ATOM 37576 O1P A B1807 -822.414 -15.111 121.043 1.00855.43 O ATOM 37577 O2P A B1807 -821.926 -17.621 121.279 1.00855.43 O ATOM 37578 O5* A B1807 -823.949 -16.602 122.335 1.00855.43 O ATOM 37579 C5* A B1807 -823.491 -16.710 123.672 1.00855.43 C ATOM 37580 C4* A B1807 -824.158 -15.675 124.554 1.00855.43 C ATOM 37581 O4* A B1807 -824.037 -14.349 123.985 1.00855.43 O ATOM 37582 C3* A B1807 -825.635 -15.930 124.924 1.00855.43 C ATOM 37583 O3* A B1807 -825.735 -15.550 126.296 1.00855.43 O ATOM 37584 C2* A B1807 -826.353 -14.935 124.008 1.00855.43 C ATOM 37585 O2* A B1807 -827.516 -14.389 124.585 1.00855.43 O ATOM 37586 C1* A B1807 -825.332 -13.801 123.870 1.00855.43 C ATOM 37587 N9 A B1807 -825.428 -12.972 122.669 1.00855.43 N ATOM 37588 C8 A B1807 -824.878 -13.151 121.427 1.00855.43 C ATOM 37589 N7 A B1807 -825.176 -12.195 120.577 1.00855.43 N ATOM 37590 C5 A B1807 -825.979 -11.334 121.308 1.00855.43 C ATOM 37591 C6 A B1807 -826.623 -10.125 120.984 1.00855.43 C ATOM 37592 N6 A B1807 -826.562 -9.550 119.779 1.00855.43 N ATOM 37593 N1 A B1807 -827.346 -9.518 121.950 1.00855.43 N ATOM 37594 C2 A B1807 -827.410 -10.091 123.158 1.00855.43 C ATOM 37595 N3 A B1807 -826.851 -11.219 123.584 1.00855.43 N ATOM 37596 C4 A B1807 -826.141 -11.799 122.599 1.00855.43 C ATOM 37597 P C B1808 -827.098 -15.805 127.107 1.00855.43 P ATOM 37598 O1P C B1808 -826.719 -16.449 128.391 1.00855.43 O ATOM 37599 O2P C B1808 -828.070 -16.479 126.211 1.00855.43 O ATOM 37600 O5* C B1808 -827.631 -14.338 127.421 1.00855.43 O ATOM 37601 C5* C B1808 -826.779 -13.361 128.026 1.00855.43 C ATOM 37602 C4* C B1808 -826.403 -12.301 127.016 1.00855.43 C ATOM 37603 O4* C B1808 -827.484 -11.352 126.865 1.00855.43 O ATOM 37604 C3* C B1808 -825.206 -11.421 127.383 1.00855.43 C ATOM 37605 O3* C B1808 -823.971 -12.017 127.014 1.00855.43 O ATOM 37606 C2* C B1808 -825.433 -10.161 126.550 1.00855.43 C ATOM 37607 O2* C B1808 -824.885 -10.272 125.253 1.00855.43 O ATOM 37608 C1* C B1808 -826.959 -10.110 126.439 1.00855.43 C ATOM 37609 N1 C B1808 -827.612 -9.031 127.190 1.00855.43 N ATOM 37610 C2 C B1808 -827.568 -7.735 126.668 1.00855.43 C ATOM 37611 O2 C B1808 -826.969 -7.541 125.600 1.00855.43 O ATOM 37612 N3 C B1808 -828.181 -6.730 127.335 1.00855.43 N ATOM 37613 C4 C B1808 -828.812 -6.983 128.483 1.00855.43 C ATOM 37614 N4 C B1808 -829.406 -5.964 129.106 1.00855.43 N ATOM 37615 C5 C B1808 -828.867 -8.294 129.040 1.00855.43 C ATOM 37616 C6 C B1808 -828.255 -9.278 128.369 1.00855.43 C ATOM 37617 P G B1809 -822.612 -11.580 127.747 1.00855.43 P ATOM 37618 O1P G B1809 -822.357 -12.532 128.858 1.00855.43 O ATOM 37619 O2P G B1809 -822.677 -10.125 128.030 1.00855.43 O ATOM 37620 O5* G B1809 -821.518 -11.792 126.614 1.00855.43 O ATOM 37621 C5* G B1809 -821.251 -13.080 126.090 1.00855.43 C ATOM 37622 C4* G B1809 -821.176 -13.028 124.581 1.00855.43 C ATOM 37623 O4* G B1809 -822.348 -12.393 124.041 1.00855.43 O ATOM 37624 C3* G B1809 -820.092 -12.167 124.018 1.00855.43 C ATOM 37625 O3* G B1809 -818.836 -12.812 124.089 1.00855.43 O ATOM 37626 C2* G B1809 -820.540 -11.984 122.580 1.00855.43 C ATOM 37627 O2* G B1809 -820.236 -13.102 121.775 1.00855.43 O ATOM 37628 C1* G B1809 -822.052 -11.856 122.770 1.00855.43 C ATOM 37629 N9 G B1809 -822.383 -10.444 122.835 1.00855.43 N ATOM 37630 C8 G B1809 -822.270 -9.631 123.935 1.00855.43 C ATOM 37631 N7 G B1809 -822.629 -8.402 123.701 1.00855.43 N ATOM 37632 C5 G B1809 -823.003 -8.402 122.364 1.00855.43 C ATOM 37633 C6 G B1809 -823.481 -7.350 121.550 1.00855.43 C ATOM 37634 O6 G B1809 -823.669 -6.169 121.853 1.00855.43 O ATOM 37635 N1 G B1809 -823.740 -7.782 120.253 1.00855.43 N ATOM 37636 C2 G B1809 -823.556 -9.065 119.799 1.00855.43 C ATOM 37637 N2 G B1809 -823.861 -9.272 118.509 1.00855.43 N ATOM 37638 N3 G B1809 -823.109 -10.059 120.550 1.00855.43 N ATOM 37639 C4 G B1809 -822.856 -9.658 121.815 1.00855.43 C ATOM 37640 P U B1810 -817.499 -11.933 124.078 1.00855.43 P ATOM 37641 O1P U B1810 -816.429 -12.913 124.320 1.00855.43 O ATOM 37642 O2P U B1810 -817.673 -10.800 125.019 1.00855.43 O ATOM 37643 O5* U B1810 -817.400 -11.342 122.596 1.00855.43 O ATOM 37644 C5* U B1810 -817.277 -12.192 121.452 1.00855.43 C ATOM 37645 C4* U B1810 -817.074 -11.360 120.201 1.00855.43 C ATOM 37646 O4* U B1810 -818.274 -10.574 119.990 1.00855.43 O ATOM 37647 C3* U B1810 -815.964 -10.325 120.248 1.00855.43 C ATOM 37648 O3* U B1810 -814.709 -10.892 119.882 1.00855.43 O ATOM 37649 C2* U B1810 -816.418 -9.288 119.224 1.00855.43 C ATOM 37650 O2* U B1810 -816.062 -9.638 117.903 1.00855.43 O ATOM 37651 C1* U B1810 -817.940 -9.343 119.378 1.00855.43 C ATOM 37652 N1 U B1810 -818.480 -8.273 120.224 1.00855.43 N ATOM 37653 C2 U B1810 -818.901 -7.111 119.612 1.00855.43 C ATOM 37654 O2 U B1810 -818.840 -6.937 118.407 1.00855.43 O ATOM 37655 N3 U B1810 -819.400 -6.156 120.464 1.00855.43 N ATOM 37656 C4 U B1810 -819.515 -6.245 121.837 1.00855.43 C ATOM 37657 O4 U B1810 -819.984 -5.298 122.468 1.00855.43 O ATOM 37658 C5 U B1810 -819.055 -7.479 122.394 1.00855.43 C ATOM 37659 C6 U B1810 -818.566 -8.426 121.588 1.00855.43 C ATOM 37660 P A B1811 -813.361 -10.402 120.617 1.00855.43 P ATOM 37661 O1P A B1811 -813.711 -10.063 122.018 1.00855.43 O ATOM 37662 O2P A B1811 -812.686 -9.393 119.761 1.00855.43 O ATOM 37663 O5* A B1811 -812.461 -11.714 120.637 1.00855.43 O ATOM 37664 C5* A B1811 -812.731 -12.749 121.572 1.00855.43 C ATOM 37665 C4* A B1811 -812.969 -14.055 120.856 1.00855.43 C ATOM 37666 O4* A B1811 -814.175 -13.959 120.058 1.00855.43 O ATOM 37667 C3* A B1811 -811.858 -14.504 119.896 1.00855.43 C ATOM 37668 O3* A B1811 -810.778 -15.206 120.505 1.00855.43 O ATOM 37669 C2* A B1811 -812.630 -15.392 118.922 1.00855.43 C ATOM 37670 O2* A B1811 -812.789 -16.712 119.401 1.00855.43 O ATOM 37671 C1* A B1811 -814.004 -14.720 118.883 1.00855.43 C ATOM 37672 N9 A B1811 -814.334 -13.906 117.711 1.00855.43 N ATOM 37673 C8 A B1811 -815.311 -12.947 117.606 1.00855.43 C ATOM 37674 N7 A B1811 -815.424 -12.435 116.406 1.00855.43 N ATOM 37675 C5 A B1811 -814.445 -13.091 115.671 1.00855.43 C ATOM 37676 C6 A B1811 -814.060 -13.008 114.321 1.00855.43 C ATOM 37677 N6 A B1811 -814.653 -12.214 113.430 1.00855.43 N ATOM 37678 N1 A B1811 -813.037 -13.789 113.911 1.00855.43 N ATOM 37679 C2 A B1811 -812.459 -14.603 114.798 1.00855.43 C ATOM 37680 N3 A B1811 -812.737 -14.781 116.089 1.00855.43 N ATOM 37681 C4 A B1811 -813.753 -13.986 116.467 1.00855.43 C ATOM 37682 P U B1812 -809.409 -15.440 119.699 1.00855.43 P ATOM 37683 O1P U B1812 -808.296 -14.997 120.575 1.00855.43 O ATOM 37684 O2P U B1812 -809.545 -14.865 118.338 1.00855.43 O ATOM 37685 O5* U B1812 -809.331 -17.028 119.569 1.00855.43 O ATOM 37686 C5* U B1812 -810.096 -17.713 118.581 1.00855.43 C ATOM 37687 C4* U B1812 -810.378 -19.130 119.021 1.00855.43 C ATOM 37688 O4* U B1812 -809.119 -19.816 119.264 1.00855.43 O ATOM 37689 C3* U B1812 -811.170 -19.210 120.329 1.00855.43 C ATOM 37690 O3* U B1812 -812.582 -19.246 120.095 1.00855.43 O ATOM 37691 C2* U B1812 -810.654 -20.503 120.957 1.00855.43 C ATOM 37692 O2* U B1812 -811.336 -21.647 120.493 1.00855.43 O ATOM 37693 C1* U B1812 -809.201 -20.545 120.474 1.00855.43 C ATOM 37694 N1 U B1812 -808.205 -20.007 121.417 1.00855.43 N ATOM 37695 C2 U B1812 -808.003 -20.695 122.600 1.00855.43 C ATOM 37696 O2 U B1812 -808.627 -21.701 122.895 1.00855.43 O ATOM 37697 N3 U B1812 -807.045 -20.162 123.430 1.00855.43 N ATOM 37698 C4 U B1812 -806.285 -19.034 123.200 1.00855.43 C ATOM 37699 O4 U B1812 -805.434 -18.699 124.030 1.00855.43 O ATOM 37700 C5 U B1812 -806.559 -18.371 121.962 1.00855.43 C ATOM 37701 C6 U B1812 -807.485 -18.868 121.133 1.00855.43 C ATOM 37702 P A B1813 -813.594 -19.080 121.334 1.00855.43 P ATOM 37703 O1P A B1813 -813.462 -17.695 121.852 1.00855.43 O ATOM 37704 O2P A B1813 -813.395 -20.228 122.239 1.00855.43 O ATOM 37705 O5* A B1813 -815.066 -19.237 120.759 1.00855.43 O ATOM 37706 C5* A B1813 -816.186 -19.082 121.633 1.00855.43 C ATOM 37707 C4* A B1813 -817.349 -18.491 120.882 1.00855.43 C ATOM 37708 O4* A B1813 -816.867 -17.345 120.138 1.00855.43 O ATOM 37709 C3* A B1813 -818.002 -19.371 119.833 1.00855.43 C ATOM 37710 O3* A B1813 -818.987 -20.218 120.421 1.00855.43 O ATOM 37711 C2* A B1813 -818.607 -18.361 118.872 1.00855.43 C ATOM 37712 O2* A B1813 -819.851 -17.868 119.322 1.00855.43 O ATOM 37713 C1* A B1813 -817.576 -17.230 118.922 1.00855.43 C ATOM 37714 N9 A B1813 -816.605 -17.302 117.836 1.00855.43 N ATOM 37715 C8 A B1813 -815.363 -17.890 117.851 1.00855.43 C ATOM 37716 N7 A B1813 -814.715 -17.783 116.719 1.00855.43 N ATOM 37717 C5 A B1813 -815.587 -17.080 115.900 1.00855.43 C ATOM 37718 C6 A B1813 -815.482 -16.633 114.576 1.00855.43 C ATOM 37719 N6 A B1813 -814.405 -16.832 113.813 1.00855.43 N ATOM 37720 N1 A B1813 -816.534 -15.961 114.054 1.00855.43 N ATOM 37721 C2 A B1813 -817.607 -15.751 114.826 1.00855.43 C ATOM 37722 N3 A B1813 -817.819 -16.116 116.089 1.00855.43 N ATOM 37723 C4 A B1813 -816.759 -16.784 116.573 1.00855.43 C ATOM 37724 P G B1814 -819.443 -21.562 119.666 1.00855.43 P ATOM 37725 O1P G B1814 -820.303 -22.315 120.616 1.00855.43 O ATOM 37726 O2P G B1814 -818.238 -22.214 119.095 1.00855.43 O ATOM 37727 O5* G B1814 -820.363 -21.054 118.470 1.00855.43 O ATOM 37728 C5* G B1814 -821.673 -20.561 118.727 1.00855.43 C ATOM 37729 C4* G B1814 -822.172 -19.743 117.559 1.00855.43 C ATOM 37730 O4* G B1814 -821.165 -18.764 117.191 1.00855.43 O ATOM 37731 C3* G B1814 -822.459 -20.506 116.284 1.00855.43 C ATOM 37732 O3* G B1814 -823.786 -21.013 116.323 1.00855.43 O ATOM 37733 C2* G B1814 -822.289 -19.445 115.205 1.00855.43 C ATOM 37734 O2* G B1814 -823.441 -18.644 115.037 1.00855.43 O ATOM 37735 C1* G B1814 -821.150 -18.602 115.783 1.00855.43 C ATOM 37736 N9 G B1814 -819.873 -19.083 115.268 1.00855.43 N ATOM 37737 C8 G B1814 -819.013 -19.983 115.845 1.00855.43 C ATOM 37738 N7 G B1814 -817.979 -20.256 115.092 1.00855.43 N ATOM 37739 C5 G B1814 -818.167 -19.478 113.958 1.00855.43 C ATOM 37740 C6 G B1814 -817.380 -19.353 112.781 1.00855.43 C ATOM 37741 O6 G B1814 -816.327 -19.934 112.489 1.00855.43 O ATOM 37742 N1 G B1814 -817.940 -18.444 111.888 1.00855.43 N ATOM 37743 C2 G B1814 -819.109 -17.749 112.099 1.00855.43 C ATOM 37744 N2 G B1814 -819.486 -16.913 111.127 1.00855.43 N ATOM 37745 N3 G B1814 -819.849 -17.864 113.182 1.00855.43 N ATOM 37746 C4 G B1814 -819.323 -18.736 114.062 1.00855.43 C ATOM 37747 P G B1815 -824.212 -22.181 115.300 1.00855.43 P ATOM 37748 O1P G B1815 -825.534 -22.700 115.731 1.00855.43 O ATOM 37749 O2P G B1815 -823.066 -23.111 115.164 1.00855.43 O ATOM 37750 O5* G B1815 -824.405 -21.431 113.905 1.00855.43 O ATOM 37751 C5* G B1815 -825.705 -21.189 113.378 1.00855.43 C ATOM 37752 C4* G B1815 -825.646 -21.070 111.869 1.00855.43 C ATOM 37753 O4* G B1815 -824.701 -20.023 111.510 1.00855.43 O ATOM 37754 C3* G B1815 -825.173 -22.290 111.103 1.00855.43 C ATOM 37755 O3* G B1815 -826.233 -23.209 110.866 1.00855.43 O ATOM 37756 C2* G B1815 -824.628 -21.691 109.814 1.00855.43 C ATOM 37757 O2* G B1815 -825.653 -21.423 108.874 1.00855.43 O ATOM 37758 C1* G B1815 -824.027 -20.375 110.313 1.00855.43 C ATOM 37759 N9 G B1815 -822.602 -20.506 110.611 1.00855.43 N ATOM 37760 C8 G B1815 -822.027 -20.662 111.848 1.00855.43 C ATOM 37761 N7 G B1815 -820.726 -20.785 111.798 1.00855.43 N ATOM 37762 C5 G B1815 -820.422 -20.700 110.447 1.00855.43 C ATOM 37763 C6 G B1815 -819.160 -20.774 109.765 1.00855.43 C ATOM 37764 O6 G B1815 -818.024 -20.940 110.237 1.00855.43 O ATOM 37765 N1 G B1815 -819.314 -20.637 108.389 1.00855.43 N ATOM 37766 C2 G B1815 -820.518 -20.453 107.747 1.00855.43 C ATOM 37767 N2 G B1815 -820.456 -20.337 106.413 1.00855.43 N ATOM 37768 N3 G B1815 -821.690 -20.388 108.360 1.00855.43 N ATOM 37769 C4 G B1815 -821.570 -20.519 109.698 1.00855.43 C ATOM 37770 P G B1816 -825.893 -24.732 110.488 1.00855.43 P ATOM 37771 O1P G B1816 -827.174 -25.460 110.305 1.00855.43 O ATOM 37772 O2P G B1816 -824.902 -25.230 111.468 1.00855.43 O ATOM 37773 O5* G B1816 -825.188 -24.623 109.064 1.00855.43 O ATOM 37774 C5* G B1816 -825.967 -24.424 107.892 1.00855.43 C ATOM 37775 C4* G B1816 -825.128 -24.612 106.654 1.00855.43 C ATOM 37776 O4* G B1816 -824.029 -23.668 106.628 1.00855.43 O ATOM 37777 C3* G B1816 -824.482 -25.973 106.494 1.00855.43 C ATOM 37778 O3* G B1816 -825.392 -26.903 105.913 1.00855.43 O ATOM 37779 C2* G B1816 -823.320 -25.675 105.561 1.00855.43 C ATOM 37780 O2* G B1816 -823.782 -25.622 104.230 1.00855.43 O ATOM 37781 C1* G B1816 -822.908 -24.268 106.001 1.00855.43 C ATOM 37782 N9 G B1816 -821.794 -24.238 106.944 1.00855.43 N ATOM 37783 C8 G B1816 -821.817 -24.652 108.253 1.00855.43 C ATOM 37784 N7 G B1816 -820.671 -24.497 108.861 1.00855.43 N ATOM 37785 C5 G B1816 -819.839 -23.951 107.896 1.00855.43 C ATOM 37786 C6 G B1816 -818.475 -23.565 107.967 1.00855.43 C ATOM 37787 O6 G B1816 -817.707 -23.627 108.936 1.00855.43 O ATOM 37788 N1 G B1816 -818.021 -23.058 106.759 1.00855.43 N ATOM 37789 C2 G B1816 -818.775 -22.937 105.622 1.00855.43 C ATOM 37790 N2 G B1816 -818.150 -22.426 104.554 1.00855.43 N ATOM 37791 N3 G B1816 -820.050 -23.292 105.538 1.00855.43 N ATOM 37792 C4 G B1816 -820.514 -23.787 106.705 1.00855.43 C ATOM 37793 P U B1817 -825.126 -28.478 106.068 1.00855.43 P ATOM 37794 O1P U B1817 -826.135 -29.190 105.240 1.00855.43 O ATOM 37795 O2P U B1817 -825.007 -28.796 107.513 1.00855.43 O ATOM 37796 O5* U B1817 -823.700 -28.695 105.393 1.00855.43 O ATOM 37797 C5* U B1817 -823.564 -28.759 103.979 1.00855.43 C ATOM 37798 C4* U B1817 -822.112 -28.945 103.608 1.00855.43 C ATOM 37799 O4* U B1817 -821.329 -27.878 104.197 1.00855.43 O ATOM 37800 C3* U B1817 -821.390 -30.152 104.169 1.00855.43 C ATOM 37801 O3* U B1817 -821.734 -31.308 103.432 1.00855.43 O ATOM 37802 C2* U B1817 -819.914 -29.783 104.077 1.00855.43 C ATOM 37803 O2* U B1817 -819.363 -30.049 102.805 1.00855.43 O ATOM 37804 C1* U B1817 -819.975 -28.272 104.301 1.00855.43 C ATOM 37805 N1 U B1817 -819.497 -27.879 105.631 1.00855.43 N ATOM 37806 C2 U B1817 -818.186 -27.473 105.752 1.00855.43 C ATOM 37807 O2 U B1817 -817.427 -27.406 104.802 1.00855.43 O ATOM 37808 N3 U B1817 -817.802 -27.143 107.028 1.00855.43 N ATOM 37809 C4 U B1817 -818.578 -27.175 108.166 1.00855.43 C ATOM 37810 O4 U B1817 -818.077 -26.867 109.250 1.00855.43 O ATOM 37811 C5 U B1817 -819.927 -27.597 107.956 1.00855.43 C ATOM 37812 C6 U B1817 -820.331 -27.927 106.725 1.00855.43 C ATOM 37813 P G B1818 -821.565 -32.743 104.122 1.00855.43 P ATOM 37814 O1P G B1818 -822.147 -33.757 103.206 1.00855.43 O ATOM 37815 O2P G B1818 -822.080 -32.622 105.506 1.00855.43 O ATOM 37816 O5* G B1818 -819.986 -32.938 104.178 1.00855.43 O ATOM 37817 C5* G B1818 -819.321 -33.628 103.130 1.00855.43 C ATOM 37818 C4* G B1818 -818.043 -34.264 103.627 1.00855.43 C ATOM 37819 O4* G B1818 -817.106 -33.249 104.069 1.00855.43 O ATOM 37820 C3* G B1818 -818.170 -35.232 104.785 1.00855.43 C ATOM 37821 O3* G B1818 -818.523 -36.537 104.334 1.00855.43 O ATOM 37822 C2* G B1818 -816.761 -35.217 105.375 1.00855.43 C ATOM 37823 O2* G B1818 -815.879 -36.077 104.681 1.00855.43 O ATOM 37824 C1* G B1818 -816.329 -33.768 105.134 1.00855.43 C ATOM 37825 N9 G B1818 -816.477 -32.920 106.314 1.00855.43 N ATOM 37826 C8 G B1818 -817.416 -31.945 106.547 1.00855.43 C ATOM 37827 N7 G B1818 -817.291 -31.378 107.720 1.00855.43 N ATOM 37828 C5 G B1818 -816.199 -32.019 108.293 1.00855.43 C ATOM 37829 C6 G B1818 -815.582 -31.841 109.566 1.00855.43 C ATOM 37830 O6 G B1818 -815.892 -31.056 110.473 1.00855.43 O ATOM 37831 N1 G B1818 -814.502 -32.700 109.736 1.00855.43 N ATOM 37832 C2 G B1818 -814.068 -33.615 108.811 1.00855.43 C ATOM 37833 N2 G B1818 -813.002 -34.352 109.162 1.00855.43 N ATOM 37834 N3 G B1818 -814.631 -33.793 107.628 1.00855.43 N ATOM 37835 C4 G B1818 -815.685 -32.969 107.437 1.00855.43 C ATOM 37836 P U B1819 -819.184 -37.583 105.358 1.00855.43 P ATOM 37837 O1P U B1819 -819.933 -38.578 104.550 1.00855.43 O ATOM 37838 O2P U B1819 -819.888 -36.820 106.420 1.00855.43 O ATOM 37839 O5* U B1819 -817.936 -38.323 106.018 1.00855.43 O ATOM 37840 C5* U B1819 -816.925 -38.912 105.204 1.00855.43 C ATOM 37841 C4* U B1819 -815.664 -39.131 106.010 1.00855.43 C ATOM 37842 O4* U B1819 -815.196 -37.851 106.504 1.00855.43 O ATOM 37843 C3* U B1819 -815.856 -39.985 107.253 1.00855.43 C ATOM 37844 O3* U B1819 -815.719 -41.375 106.969 1.00855.43 O ATOM 37845 C2* U B1819 -814.750 -39.494 108.176 1.00855.43 C ATOM 37846 O2* U B1819 -813.505 -40.110 107.919 1.00855.43 O ATOM 37847 C1* U B1819 -814.676 -38.008 107.812 1.00855.43 C ATOM 37848 N1 U B1819 -815.455 -37.165 108.727 1.00855.43 N ATOM 37849 C2 U B1819 -814.863 -36.818 109.923 1.00855.43 C ATOM 37850 O2 U B1819 -813.730 -37.157 110.213 1.00855.43 O ATOM 37851 N3 U B1819 -815.643 -36.056 110.756 1.00855.43 N ATOM 37852 C4 U B1819 -816.930 -35.608 110.511 1.00855.43 C ATOM 37853 O4 U B1819 -817.511 -34.933 111.364 1.00855.43 O ATOM 37854 C5 U B1819 -817.465 -36.000 109.243 1.00855.43 C ATOM 37855 C6 U B1819 -816.727 -36.749 108.416 1.00855.43 C ATOM 37856 P G B1820 -816.196 -42.462 108.053 1.00855.43 P ATOM 37857 O1P G B1820 -816.092 -43.802 107.423 1.00855.43 O ATOM 37858 O2P G B1820 -817.494 -42.019 108.621 1.00855.43 O ATOM 37859 O5* G B1820 -815.091 -42.374 109.200 1.00855.43 O ATOM 37860 C5* G B1820 -815.428 -42.623 110.563 1.00855.43 C ATOM 37861 C4* G B1820 -814.748 -41.614 111.453 1.00855.43 C ATOM 37862 O4* G B1820 -815.031 -40.288 110.946 1.00855.43 O ATOM 37863 C3* G B1820 -815.202 -41.597 112.907 1.00855.43 C ATOM 37864 O3* G B1820 -814.667 -42.613 113.764 1.00855.43 O ATOM 37865 C2* G B1820 -814.993 -40.147 113.327 1.00855.43 C ATOM 37866 O2* G B1820 -813.685 -39.831 113.760 1.00855.43 O ATOM 37867 C1* G B1820 -815.299 -39.411 112.020 1.00855.43 C ATOM 37868 N9 G B1820 -816.693 -38.995 111.896 1.00855.43 N ATOM 37869 C8 G B1820 -817.512 -39.162 110.807 1.00855.43 C ATOM 37870 N7 G B1820 -818.703 -38.653 110.978 1.00855.43 N ATOM 37871 C5 G B1820 -818.666 -38.125 112.261 1.00855.43 C ATOM 37872 C6 G B1820 -819.659 -37.435 113.000 1.00855.43 C ATOM 37873 O6 G B1820 -820.811 -37.138 112.657 1.00855.43 O ATOM 37874 N1 G B1820 -819.195 -37.085 114.264 1.00855.43 N ATOM 37875 C2 G B1820 -817.942 -37.369 114.756 1.00855.43 C ATOM 37876 N2 G B1820 -817.675 -36.982 116.006 1.00855.43 N ATOM 37877 N3 G B1820 -817.010 -38.003 114.073 1.00855.43 N ATOM 37878 C4 G B1820 -817.434 -38.343 112.844 1.00855.43 C ATOM 37879 P A B1821 -813.133 -42.553 114.246 1.00855.43 P ATOM 37880 O1P A B1821 -812.322 -41.934 113.167 1.00855.43 O ATOM 37881 O2P A B1821 -812.777 -43.910 114.737 1.00855.43 O ATOM 37882 O5* A B1821 -813.122 -41.571 115.502 1.00855.43 O ATOM 37883 C5* A B1821 -811.898 -40.970 115.919 1.00855.43 C ATOM 37884 C4* A B1821 -811.507 -41.437 117.301 1.00855.43 C ATOM 37885 O4* A B1821 -811.752 -42.860 117.442 1.00855.43 O ATOM 37886 C3* A B1821 -810.051 -41.250 117.641 1.00855.43 C ATOM 37887 O3* A B1821 -809.841 -39.933 118.136 1.00855.43 O ATOM 37888 C2* A B1821 -809.777 -42.328 118.681 1.00855.43 C ATOM 37889 O2* A B1821 -810.122 -41.930 119.992 1.00855.43 O ATOM 37890 C1* A B1821 -810.720 -43.446 118.223 1.00855.43 C ATOM 37891 N9 A B1821 -810.062 -44.477 117.414 1.00855.43 N ATOM 37892 C8 A B1821 -810.285 -44.773 116.092 1.00855.43 C ATOM 37893 N7 A B1821 -809.552 -45.761 115.640 1.00855.43 N ATOM 37894 C5 A B1821 -808.792 -46.142 116.739 1.00855.43 C ATOM 37895 C6 A B1821 -807.817 -47.138 116.915 1.00855.43 C ATOM 37896 N6 A B1821 -807.427 -47.972 115.949 1.00855.43 N ATOM 37897 N1 A B1821 -807.250 -47.252 118.135 1.00855.43 N ATOM 37898 C2 A B1821 -807.640 -46.417 119.104 1.00855.43 C ATOM 37899 N3 A B1821 -808.548 -45.443 119.064 1.00855.43 N ATOM 37900 C4 A B1821 -809.093 -45.356 117.838 1.00855.43 C ATOM 37901 P C B1822 -808.965 -38.898 117.276 1.00855.43 P ATOM 37902 O1P C B1822 -808.998 -37.590 117.972 1.00855.43 O ATOM 37903 O2P C B1822 -809.403 -38.987 115.859 1.00855.43 O ATOM 37904 O5* C B1822 -807.488 -39.484 117.378 1.00855.43 O ATOM 37905 C5* C B1822 -806.818 -39.548 118.634 1.00855.43 C ATOM 37906 C4* C B1822 -805.914 -40.757 118.692 1.00855.43 C ATOM 37907 O4* C B1822 -806.673 -41.968 118.434 1.00855.43 O ATOM 37908 C3* C B1822 -804.791 -40.771 117.663 1.00855.43 C ATOM 37909 O3* C B1822 -803.647 -40.049 118.101 1.00855.43 O ATOM 37910 C2* C B1822 -804.495 -42.258 117.512 1.00855.43 C ATOM 37911 O2* C B1822 -803.640 -42.745 118.527 1.00855.43 O ATOM 37912 C1* C B1822 -805.884 -42.873 117.678 1.00855.43 C ATOM 37913 N1 C B1822 -806.553 -43.127 116.390 1.00855.43 N ATOM 37914 C2 C B1822 -806.281 -44.323 115.710 1.00855.43 C ATOM 37915 O2 C B1822 -805.491 -45.139 116.209 1.00855.43 O ATOM 37916 N3 C B1822 -806.889 -44.563 114.524 1.00855.43 N ATOM 37917 C4 C B1822 -807.732 -43.663 114.014 1.00855.43 C ATOM 37918 N4 C B1822 -808.303 -43.944 112.840 1.00855.43 N ATOM 37919 C5 C B1822 -808.028 -42.439 114.684 1.00855.43 C ATOM 37920 C6 C B1822 -807.422 -42.213 115.859 1.00855.43 C ATOM 37921 P G B1823 -802.556 -39.573 117.023 1.00855.43 P ATOM 37922 O1P G B1823 -801.408 -39.005 117.772 1.00855.43 O ATOM 37923 O2P G B1823 -803.245 -38.748 115.996 1.00855.43 O ATOM 37924 O5* G B1823 -802.085 -40.935 116.340 1.00855.43 O ATOM 37925 C5* G B1823 -801.070 -41.732 116.938 1.00855.43 C ATOM 37926 C4* G B1823 -800.503 -42.708 115.933 1.00855.43 C ATOM 37927 O4* G B1823 -801.424 -43.796 115.688 1.00855.43 O ATOM 37928 C3* G B1823 -800.168 -42.160 114.557 1.00855.43 C ATOM 37929 O3* G B1823 -798.914 -41.496 114.551 1.00855.43 O ATOM 37930 C2* G B1823 -800.179 -43.413 113.687 1.00855.43 C ATOM 37931 O2* G B1823 -798.954 -44.116 113.734 1.00855.43 O ATOM 37932 C1* G B1823 -801.272 -44.257 114.354 1.00855.43 C ATOM 37933 N9 G B1823 -802.567 -44.158 113.683 1.00855.43 N ATOM 37934 C8 G B1823 -803.599 -43.310 114.002 1.00855.43 C ATOM 37935 N7 G B1823 -804.638 -43.455 113.226 1.00855.43 N ATOM 37936 C5 G B1823 -804.272 -44.461 112.341 1.00855.43 C ATOM 37937 C6 G B1823 -804.997 -45.048 111.269 1.00855.43 C ATOM 37938 O6 G B1823 -806.141 -44.791 110.880 1.00855.43 O ATOM 37939 N1 G B1823 -804.247 -46.029 110.626 1.00855.43 N ATOM 37940 C2 G B1823 -802.971 -46.397 110.967 1.00855.43 C ATOM 37941 N2 G B1823 -802.421 -47.364 110.214 1.00855.43 N ATOM 37942 N3 G B1823 -802.287 -45.863 111.967 1.00855.43 N ATOM 37943 C4 G B1823 -802.994 -44.904 112.604 1.00855.43 C ATOM 37944 P C B1824 -798.657 -40.299 113.511 1.00855.43 P ATOM 37945 O1P C B1824 -797.378 -39.641 113.897 1.00855.43 O ATOM 37946 O2P C B1824 -799.898 -39.489 113.418 1.00855.43 O ATOM 37947 O5* C B1824 -798.434 -41.044 112.121 1.00855.43 O ATOM 37948 C5* C B1824 -797.149 -41.542 111.767 1.00855.43 C ATOM 37949 C4* C B1824 -797.136 -42.004 110.329 1.00855.43 C ATOM 37950 O4* C B1824 -798.010 -43.152 110.168 1.00855.43 O ATOM 37951 C3* C B1824 -797.651 -40.999 109.312 1.00855.43 C ATOM 37952 O3* C B1824 -796.649 -40.066 108.929 1.00855.43 O ATOM 37953 C2* C B1824 -798.069 -41.889 108.149 1.00855.43 C ATOM 37954 O2* C B1824 -796.980 -42.256 107.325 1.00855.43 O ATOM 37955 C1* C B1824 -798.597 -43.127 108.877 1.00855.43 C ATOM 37956 N1 C B1824 -800.059 -43.081 109.026 1.00855.43 N ATOM 37957 C2 C B1824 -800.856 -43.665 108.036 1.00855.43 C ATOM 37958 O2 C B1824 -800.308 -44.230 107.076 1.00855.43 O ATOM 37959 N3 C B1824 -802.202 -43.600 108.148 1.00855.43 N ATOM 37960 C4 C B1824 -802.752 -42.988 109.201 1.00855.43 C ATOM 37961 N4 C B1824 -804.084 -42.937 109.269 1.00855.43 N ATOM 37962 C5 C B1824 -801.963 -42.399 110.230 1.00855.43 C ATOM 37963 C6 C B1824 -800.633 -42.469 110.106 1.00855.43 C ATOM 37964 P C B1825 -797.066 -38.554 108.575 1.00855.43 P ATOM 37965 O1P C B1825 -795.812 -37.809 108.292 1.00855.43 O ATOM 37966 O2P C B1825 -797.987 -38.065 109.628 1.00855.43 O ATOM 37967 O5* C B1825 -797.883 -38.683 107.212 1.00855.43 O ATOM 37968 C5* C B1825 -797.259 -39.207 106.045 1.00855.43 C ATOM 37969 C4* C B1825 -798.291 -39.595 105.007 1.00855.43 C ATOM 37970 O4* C B1825 -799.260 -40.513 105.585 1.00855.43 O ATOM 37971 C3* C B1825 -799.147 -38.503 104.384 1.00855.43 C ATOM 37972 O3* C B1825 -798.477 -37.826 103.328 1.00855.43 O ATOM 37973 C2* C B1825 -800.332 -39.294 103.841 1.00855.43 C ATOM 37974 O2* C B1825 -800.045 -39.880 102.588 1.00855.43 O ATOM 37975 C1* C B1825 -800.484 -40.403 104.883 1.00855.43 C ATOM 37976 N1 C B1825 -801.574 -40.107 105.824 1.00855.43 N ATOM 37977 C2 C B1825 -802.887 -40.211 105.359 1.00855.43 C ATOM 37978 O2 C B1825 -803.076 -40.572 104.188 1.00855.43 O ATOM 37979 N3 C B1825 -803.912 -39.918 106.188 1.00855.43 N ATOM 37980 C4 C B1825 -803.665 -39.537 107.440 1.00855.43 C ATOM 37981 N4 C B1825 -804.716 -39.248 108.221 1.00855.43 N ATOM 37982 C5 C B1825 -802.337 -39.433 107.950 1.00855.43 C ATOM 37983 C6 C B1825 -801.327 -39.728 107.113 1.00855.43 C ATOM 37984 P U B1826 -798.984 -36.370 102.866 1.00855.43 P ATOM 37985 O1P U B1826 -797.998 -35.838 101.892 1.00855.43 O ATOM 37986 O2P U B1826 -799.302 -35.587 104.089 1.00855.43 O ATOM 37987 O5* U B1826 -800.351 -36.640 102.089 1.00855.43 O ATOM 37988 C5* U B1826 -800.361 -37.265 100.807 1.00855.43 C ATOM 37989 C4* U B1826 -801.784 -37.483 100.344 1.00855.43 C ATOM 37990 O4* U B1826 -802.468 -38.339 101.295 1.00855.43 O ATOM 37991 C3* U B1826 -802.621 -36.222 100.265 1.00855.43 C ATOM 37992 O3* U B1826 -802.490 -35.666 98.962 1.00855.43 O ATOM 37993 C2* U B1826 -804.037 -36.716 100.527 1.00855.43 C ATOM 37994 O2* U B1826 -804.683 -37.191 99.365 1.00855.43 O ATOM 37995 C1* U B1826 -803.790 -37.875 101.497 1.00855.43 C ATOM 37996 N1 U B1826 -803.924 -37.470 102.902 1.00855.43 N ATOM 37997 C2 U B1826 -805.194 -37.436 103.441 1.00855.43 C ATOM 37998 O2 U B1826 -806.191 -37.734 102.809 1.00855.43 O ATOM 37999 N3 U B1826 -805.254 -37.038 104.755 1.00855.43 N ATOM 38000 C4 U B1826 -804.197 -36.678 105.563 1.00855.43 C ATOM 38001 O4 U B1826 -804.413 -36.324 106.724 1.00855.43 O ATOM 38002 C5 U B1826 -802.916 -36.745 104.931 1.00855.43 C ATOM 38003 C6 U B1826 -802.824 -37.129 103.655 1.00855.43 C ATOM 38004 P G B1827 -802.899 -34.138 98.704 1.00855.43 P ATOM 38005 O1P G B1827 -802.195 -33.310 99.717 1.00855.43 O ATOM 38006 O2P G B1827 -804.377 -34.061 98.592 1.00855.43 O ATOM 38007 O5* G B1827 -802.271 -33.824 97.276 1.00855.43 O ATOM 38008 C5* G B1827 -800.864 -33.863 97.069 1.00855.43 C ATOM 38009 C4* G B1827 -800.509 -34.976 96.113 1.00855.43 C ATOM 38010 O4* G B1827 -801.193 -36.197 96.502 1.00855.43 O ATOM 38011 C3* G B1827 -800.906 -34.767 94.668 1.00855.43 C ATOM 38012 O3* G B1827 -799.938 -33.968 94.008 1.00855.43 O ATOM 38013 C2* G B1827 -800.983 -36.188 94.130 1.00855.43 C ATOM 38014 O2* G B1827 -799.717 -36.706 93.771 1.00855.43 O ATOM 38015 C1* G B1827 -801.528 -36.944 95.344 1.00855.43 C ATOM 38016 N9 G B1827 -802.980 -37.064 95.289 1.00855.43 N ATOM 38017 C8 G B1827 -803.898 -36.375 96.046 1.00855.43 C ATOM 38018 N7 G B1827 -805.134 -36.680 95.754 1.00855.43 N ATOM 38019 C5 G B1827 -805.027 -37.627 94.744 1.00855.43 C ATOM 38020 C6 G B1827 -806.035 -38.323 94.014 1.00855.43 C ATOM 38021 O6 G B1827 -807.263 -38.242 94.118 1.00855.43 O ATOM 38022 N1 G B1827 -805.484 -39.189 93.080 1.00855.43 N ATOM 38023 C2 G B1827 -804.141 -39.365 92.861 1.00855.43 C ATOM 38024 N2 G B1827 -803.812 -40.250 91.905 1.00855.43 N ATOM 38025 N3 G B1827 -803.193 -38.727 93.527 1.00855.43 N ATOM 38026 C4 G B1827 -803.703 -37.878 94.446 1.00855.43 C ATOM 38027 P C B1828 -800.415 -33.014 92.859 1.00850.56 P ATOM 38028 O1P C B1828 -799.414 -32.010 93.310 1.00850.56 O ATOM 38029 O2P C B1828 -801.852 -32.804 93.165 1.00850.56 O ATOM 38030 O5* C B1828 -800.265 -33.199 91.284 1.00850.56 O ATOM 38031 C5* C B1828 -799.436 -32.326 90.525 1.00850.56 C ATOM 38032 C4* C B1828 -799.447 -32.723 89.064 1.00850.56 C ATOM 38033 O4* C B1828 -799.173 -34.146 88.950 1.00850.56 O ATOM 38034 C3* C B1828 -800.746 -32.518 88.324 1.00850.56 C ATOM 38035 O3* C B1828 -800.783 -31.187 87.822 1.00850.56 O ATOM 38036 C2* C B1828 -800.669 -33.541 87.202 1.00850.56 C ATOM 38037 O2* C B1828 -799.907 -33.083 86.101 1.00850.56 O ATOM 38038 C1* C B1828 -799.935 -34.695 87.887 1.00850.56 C ATOM 38039 N1 C B1828 -800.895 -35.657 88.452 1.00850.56 N ATOM 38040 C2 C B1828 -801.688 -36.403 87.576 1.00850.56 C ATOM 38041 O2 C B1828 -801.526 -36.267 86.354 1.00850.56 O ATOM 38042 N3 C B1828 -802.610 -37.254 88.082 1.00850.56 N ATOM 38043 C4 C B1828 -802.745 -37.379 89.404 1.00850.56 C ATOM 38044 N4 C B1828 -803.678 -38.216 89.862 1.00850.56 N ATOM 38045 C5 C B1828 -801.933 -36.649 90.319 1.00850.56 C ATOM 38046 C6 C B1828 -801.028 -35.806 89.804 1.00850.56 C ATOM 38047 P C B1829 -802.142 -30.617 87.174 1.00850.56 P ATOM 38048 O1P C B1829 -801.836 -29.269 86.633 1.00850.56 O ATOM 38049 O2P C B1829 -803.225 -30.774 88.174 1.00850.56 O ATOM 38050 O5* C B1829 -802.449 -31.587 85.945 1.00850.56 O ATOM 38051 C5* C B1829 -802.400 -31.101 84.606 1.00850.56 C ATOM 38052 C4* C B1829 -803.714 -31.346 83.887 1.00850.56 C ATOM 38053 O4* C B1829 -804.181 -32.689 84.193 1.00850.56 O ATOM 38054 C3* C B1829 -804.839 -30.431 84.316 1.00850.56 C ATOM 38055 O3* C B1829 -804.843 -29.266 83.495 1.00850.56 O ATOM 38056 C2* C B1829 -806.080 -31.266 84.032 1.00850.56 C ATOM 38057 O2* C B1829 -806.483 -31.197 82.676 1.00850.56 O ATOM 38058 C1* C B1829 -805.592 -32.678 84.347 1.00850.56 C ATOM 38059 N1 C B1829 -805.932 -33.029 85.733 1.00850.56 N ATOM 38060 C2 C B1829 -807.198 -33.558 85.986 1.00850.56 C ATOM 38061 O2 C B1829 -807.956 -33.778 85.031 1.00850.56 O ATOM 38062 N3 C B1829 -807.564 -33.822 87.261 1.00850.56 N ATOM 38063 C4 C B1829 -806.715 -33.588 88.258 1.00850.56 C ATOM 38064 N4 C B1829 -807.131 -33.835 89.504 1.00850.56 N ATOM 38065 C5 C B1829 -805.399 -33.080 88.030 1.00850.56 C ATOM 38066 C6 C B1829 -805.051 -32.818 86.761 1.00850.56 C ATOM 38067 P C B1830 -804.639 -27.814 84.168 1.00850.56 P ATOM 38068 O1P C B1830 -804.747 -26.802 83.087 1.00850.56 O ATOM 38069 O2P C B1830 -803.406 -27.867 84.998 1.00850.56 O ATOM 38070 O5* C B1830 -805.879 -27.617 85.156 1.00850.56 O ATOM 38071 C5* C B1830 -807.206 -27.420 84.662 1.00850.56 C ATOM 38072 C4* C B1830 -807.879 -26.261 85.375 1.00850.56 C ATOM 38073 O4* C B1830 -807.890 -26.520 86.803 1.00850.56 O ATOM 38074 C3* C B1830 -807.162 -24.931 85.284 1.00850.56 C ATOM 38075 O3* C B1830 -807.628 -24.254 84.122 1.00850.56 O ATOM 38076 C2* C B1830 -807.619 -24.162 86.521 1.00850.56 C ATOM 38077 O2* C B1830 -808.801 -23.422 86.298 1.00850.56 O ATOM 38078 C1* C B1830 -807.919 -25.292 87.510 1.00850.56 C ATOM 38079 N1 C B1830 -806.972 -25.361 88.635 1.00850.56 N ATOM 38080 C2 C B1830 -807.338 -24.778 89.850 1.00850.56 C ATOM 38081 O2 C B1830 -808.440 -24.216 89.938 1.00850.56 O ATOM 38082 N3 C B1830 -806.483 -24.836 90.895 1.00850.56 N ATOM 38083 C4 C B1830 -805.303 -25.441 90.760 1.00850.56 C ATOM 38084 N4 C B1830 -804.494 -25.480 91.821 1.00850.56 N ATOM 38085 C5 C B1830 -804.903 -26.043 89.529 1.00850.56 C ATOM 38086 C6 C B1830 -805.759 -25.976 88.501 1.00850.56 C ATOM 38087 P G B1831 -806.586 -23.549 83.124 1.00850.56 P ATOM 38088 O1P G B1831 -805.262 -24.190 83.321 1.00850.56 O ATOM 38089 O2P G B1831 -806.720 -22.075 83.266 1.00850.56 O ATOM 38090 O5* G B1831 -807.139 -23.967 81.689 1.00850.56 O ATOM 38091 C5* G B1831 -807.193 -25.340 81.317 1.00850.56 C ATOM 38092 C4* G B1831 -807.986 -25.514 80.045 1.00850.56 C ATOM 38093 O4* G B1831 -807.902 -26.899 79.622 1.00850.56 O ATOM 38094 C3* G B1831 -809.467 -25.256 80.148 1.00850.56 C ATOM 38095 O3* G B1831 -809.715 -23.864 79.990 1.00850.56 O ATOM 38096 C2* G B1831 -810.051 -26.075 79.005 1.00850.56 C ATOM 38097 O2* G B1831 -810.011 -25.387 77.771 1.00850.56 O ATOM 38098 C1* G B1831 -809.100 -27.271 78.959 1.00850.56 C ATOM 38099 N9 G B1831 -809.654 -28.443 79.629 1.00850.56 N ATOM 38100 C8 G B1831 -809.360 -28.899 80.891 1.00850.56 C ATOM 38101 N7 G B1831 -810.039 -29.965 81.221 1.00850.56 N ATOM 38102 C5 G B1831 -810.825 -30.232 80.107 1.00850.56 C ATOM 38103 C6 G B1831 -811.773 -31.259 79.875 1.00850.56 C ATOM 38104 O6 G B1831 -812.125 -32.173 80.633 1.00850.56 O ATOM 38105 N1 G B1831 -812.338 -31.155 78.607 1.00850.56 N ATOM 38106 C2 G B1831 -812.035 -30.186 77.683 1.00850.56 C ATOM 38107 N2 G B1831 -812.688 -30.257 76.513 1.00850.56 N ATOM 38108 N3 G B1831 -811.158 -29.219 77.891 1.00850.56 N ATOM 38109 C4 G B1831 -810.594 -29.302 79.114 1.00850.56 C ATOM 38110 P G B1832 -810.470 -23.050 81.151 1.00850.56 P ATOM 38111 O1P G B1832 -810.742 -21.684 80.639 1.00850.56 O ATOM 38112 O2P G B1832 -809.709 -23.222 82.414 1.00850.56 O ATOM 38113 O5* G B1832 -811.867 -23.804 81.307 1.00850.56 O ATOM 38114 C5* G B1832 -812.827 -23.795 80.251 1.00850.56 C ATOM 38115 C4* G B1832 -813.906 -24.819 80.524 1.00850.56 C ATOM 38116 O4* G B1832 -813.308 -26.140 80.624 1.00850.56 O ATOM 38117 C3* G B1832 -814.666 -24.643 81.821 1.00850.56 C ATOM 38118 O3* G B1832 -815.730 -23.712 81.670 1.00850.56 O ATOM 38119 C2* G B1832 -815.152 -26.055 82.130 1.00850.56 C ATOM 38120 O2* G B1832 -816.327 -26.392 81.422 1.00850.56 O ATOM 38121 C1* G B1832 -813.980 -26.895 81.619 1.00850.56 C ATOM 38122 N9 G B1832 -813.021 -27.179 82.679 1.00850.56 N ATOM 38123 C8 G B1832 -811.662 -26.992 82.634 1.00850.56 C ATOM 38124 N7 G B1832 -811.059 -27.318 83.742 1.00850.56 N ATOM 38125 C5 G B1832 -812.083 -27.750 84.574 1.00850.56 C ATOM 38126 C6 G B1832 -812.040 -28.223 85.912 1.00850.56 C ATOM 38127 O6 G B1832 -811.060 -28.363 86.651 1.00850.56 O ATOM 38128 N1 G B1832 -813.309 -28.553 86.376 1.00850.56 N ATOM 38129 C2 G B1832 -814.472 -28.439 85.653 1.00850.56 C ATOM 38130 N2 G B1832 -815.596 -28.807 86.285 1.00850.56 N ATOM 38131 N3 G B1832 -814.524 -28.000 84.404 1.00850.56 N ATOM 38132 C4 G B1832 -813.301 -27.672 83.934 1.00850.56 C ATOM 38133 P U B1833 -816.347 -23.000 82.971 1.00850.56 P ATOM 38134 O1P U B1833 -817.254 -21.919 82.507 1.00850.56 O ATOM 38135 O2P U B1833 -815.228 -22.676 83.890 1.00850.56 O ATOM 38136 O5* U B1833 -817.234 -24.140 83.648 1.00850.56 O ATOM 38137 C5* U B1833 -818.654 -24.082 83.601 1.00850.56 C ATOM 38138 C4* U B1833 -819.240 -24.389 84.961 1.00850.56 C ATOM 38139 O4* U B1833 -818.622 -25.586 85.499 1.00850.56 O ATOM 38140 C3* U B1833 -819.035 -23.318 86.027 1.00850.56 C ATOM 38141 O3* U B1833 -820.051 -22.325 85.974 1.00850.56 O ATOM 38142 C2* U B1833 -819.089 -24.122 87.323 1.00850.56 C ATOM 38143 O2* U B1833 -820.413 -24.352 87.762 1.00850.56 O ATOM 38144 C1* U B1833 -818.453 -25.447 86.899 1.00850.56 C ATOM 38145 N1 U B1833 -817.017 -25.517 87.204 1.00850.56 N ATOM 38146 C2 U B1833 -816.649 -26.029 88.434 1.00850.56 C ATOM 38147 O2 U B1833 -817.458 -26.418 89.258 1.00850.56 O ATOM 38148 N3 U B1833 -815.295 -26.065 88.665 1.00850.56 N ATOM 38149 C4 U B1833 -814.297 -25.652 87.808 1.00850.56 C ATOM 38150 O4 U B1833 -813.120 -25.747 88.160 1.00850.56 O ATOM 38151 C5 U B1833 -814.759 -25.139 86.553 1.00850.56 C ATOM 38152 C6 U B1833 -816.072 -25.091 86.303 1.00850.56 C ATOM 38153 P G B1834 -819.789 -20.884 86.636 1.00850.56 P ATOM 38154 O1P G B1834 -821.108 -20.204 86.742 1.00850.56 O ATOM 38155 O2P G B1834 -818.681 -20.224 85.898 1.00850.56 O ATOM 38156 O5* G B1834 -819.284 -21.216 88.111 1.00850.56 O ATOM 38157 C5* G B1834 -820.216 -21.453 89.155 1.00850.56 C ATOM 38158 C4* G B1834 -819.518 -21.519 90.498 1.00850.56 C ATOM 38159 O4* G B1834 -818.569 -22.619 90.519 1.00850.56 O ATOM 38160 C3* G B1834 -818.709 -20.301 90.904 1.00850.56 C ATOM 38161 O3* G B1834 -819.525 -19.293 91.491 1.00850.56 O ATOM 38162 C2* G B1834 -817.733 -20.881 91.921 1.00850.56 C ATOM 38163 O2* G B1834 -818.303 -20.991 93.213 1.00850.56 O ATOM 38164 C1* G B1834 -817.475 -22.279 91.356 1.00850.56 C ATOM 38165 N9 G B1834 -816.226 -22.346 90.599 1.00850.56 N ATOM 38166 C8 G B1834 -816.048 -22.649 89.269 1.00850.56 C ATOM 38167 N7 G B1834 -814.791 -22.617 88.901 1.00850.56 N ATOM 38168 C5 G B1834 -814.096 -22.277 90.058 1.00850.56 C ATOM 38169 C6 G B1834 -812.685 -22.089 90.297 1.00850.56 C ATOM 38170 O6 G B1834 -811.734 -22.187 89.510 1.00850.56 O ATOM 38171 N1 G B1834 -812.432 -21.749 91.622 1.00850.56 N ATOM 38172 C2 G B1834 -813.390 -21.605 92.594 1.00850.56 C ATOM 38173 N2 G B1834 -812.946 -21.269 93.809 1.00850.56 N ATOM 38174 N3 G B1834 -814.689 -21.776 92.392 1.00850.56 N ATOM 38175 C4 G B1834 -814.968 -22.106 91.115 1.00850.56 C ATOM 38176 P C B1835 -819.071 -17.752 91.402 1.00850.56 P ATOM 38177 O1P C B1835 -820.188 -16.926 91.924 1.00850.56 O ATOM 38178 O2P C B1835 -818.548 -17.504 90.035 1.00850.56 O ATOM 38179 O5* C B1835 -817.854 -17.645 92.426 1.00850.56 O ATOM 38180 C5* C B1835 -818.083 -17.656 93.833 1.00850.56 C ATOM 38181 C4* C B1835 -816.808 -17.338 94.587 1.00850.56 C ATOM 38182 O4* C B1835 -815.825 -18.381 94.362 1.00850.56 O ATOM 38183 C3* C B1835 -816.098 -16.035 94.222 1.00850.56 C ATOM 38184 O3* C B1835 -816.620 -14.906 94.912 1.00850.56 O ATOM 38185 C2* C B1835 -814.657 -16.317 94.645 1.00850.56 C ATOM 38186 O2* C B1835 -814.443 -16.095 96.021 1.00850.56 O ATOM 38187 C1* C B1835 -814.526 -17.814 94.357 1.00850.56 C ATOM 38188 N1 C B1835 -813.870 -18.119 93.076 1.00850.56 N ATOM 38189 C2 C B1835 -812.474 -18.223 93.042 1.00850.56 C ATOM 38190 O2 C B1835 -811.833 -18.050 94.093 1.00850.56 O ATOM 38191 N3 C B1835 -811.854 -18.503 91.872 1.00850.56 N ATOM 38192 C4 C B1835 -812.580 -18.681 90.766 1.00850.56 C ATOM 38193 N4 C B1835 -811.926 -18.959 89.634 1.00850.56 N ATOM 38194 C5 C B1835 -813.999 -18.578 90.767 1.00850.56 C ATOM 38195 C6 C B1835 -814.601 -18.299 91.936 1.00850.56 C ATOM 38196 P C B1836 -816.606 -13.462 94.205 1.00850.56 P ATOM 38197 O1P C B1836 -817.691 -12.653 94.802 1.00850.56 O ATOM 38198 O2P C B1836 -816.570 -13.665 92.736 1.00850.56 O ATOM 38199 O5* C B1836 -815.216 -12.826 94.658 1.00850.56 O ATOM 38200 C5* C B1836 -814.922 -12.643 96.038 1.00850.56 C ATOM 38201 C4* C B1836 -813.429 -12.655 96.267 1.00850.56 C ATOM 38202 O4* C B1836 -812.862 -13.916 95.820 1.00850.56 O ATOM 38203 C3* C B1836 -812.658 -11.591 95.503 1.00850.56 C ATOM 38204 O3* C B1836 -812.650 -10.353 96.201 1.00850.56 O ATOM 38205 C2* C B1836 -811.268 -12.201 95.385 1.00850.56 C ATOM 38206 O2* C B1836 -810.485 -11.994 96.544 1.00850.56 O ATOM 38207 C1* C B1836 -811.588 -13.692 95.240 1.00850.56 C ATOM 38208 N1 C B1836 -811.639 -14.129 93.836 1.00850.56 N ATOM 38209 C2 C B1836 -810.513 -14.756 93.271 1.00850.56 C ATOM 38210 O2 C B1836 -809.504 -14.935 93.966 1.00850.56 O ATOM 38211 N3 C B1836 -810.562 -15.153 91.978 1.00850.56 N ATOM 38212 C4 C B1836 -811.667 -14.940 91.258 1.00850.56 C ATOM 38213 N4 C B1836 -811.667 -15.345 89.986 1.00850.56 N ATOM 38214 C5 C B1836 -812.817 -14.306 91.805 1.00850.56 C ATOM 38215 C6 C B1836 -812.761 -13.920 93.086 1.00850.56 C ATOM 38216 P G B1837 -812.685 -8.977 95.370 1.00850.56 P ATOM 38217 O1P G B1837 -812.827 -7.873 96.351 1.00850.56 O ATOM 38218 O2P G B1837 -813.675 -9.119 94.272 1.00850.56 O ATOM 38219 O5* G B1837 -811.227 -8.889 94.729 1.00850.56 O ATOM 38220 C5* G B1837 -810.072 -9.068 95.540 1.00850.56 C ATOM 38221 C4* G B1837 -808.871 -9.422 94.697 1.00850.56 C ATOM 38222 O4* G B1837 -809.126 -10.617 93.917 1.00850.56 O ATOM 38223 C3* G B1837 -808.446 -8.388 93.673 1.00850.56 C ATOM 38224 O3* G B1837 -807.632 -7.401 94.301 1.00850.56 O ATOM 38225 C2* G B1837 -807.651 -9.216 92.668 1.00850.56 C ATOM 38226 O2* G B1837 -806.304 -9.392 93.059 1.00850.56 O ATOM 38227 C1* G B1837 -808.367 -10.567 92.721 1.00850.56 C ATOM 38228 N9 G B1837 -809.243 -10.811 91.579 1.00850.56 N ATOM 38229 C8 G B1837 -810.602 -11.010 91.590 1.00850.56 C ATOM 38230 N7 G B1837 -811.104 -11.196 90.400 1.00850.56 N ATOM 38231 C5 G B1837 -810.010 -11.113 89.549 1.00850.56 C ATOM 38232 C6 G B1837 -809.926 -11.232 88.132 1.00850.56 C ATOM 38233 O6 G B1837 -810.837 -11.440 87.318 1.00850.56 O ATOM 38234 N1 G B1837 -808.623 -11.078 87.680 1.00850.56 N ATOM 38235 C2 G B1837 -807.531 -10.844 88.478 1.00850.56 C ATOM 38236 N2 G B1837 -806.353 -10.725 87.848 1.00850.56 N ATOM 38237 N3 G B1837 -807.592 -10.731 89.796 1.00850.56 N ATOM 38238 C4 G B1837 -808.853 -10.875 90.260 1.00850.56 C ATOM 38239 P G B1838 -807.952 -5.840 94.074 1.00850.56 P ATOM 38240 O1P G B1838 -807.133 -5.077 95.049 1.00850.56 O ATOM 38241 O2P G B1838 -809.427 -5.657 94.046 1.00850.56 O ATOM 38242 O5* G B1838 -807.386 -5.538 92.616 1.00850.56 O ATOM 38243 C5* G B1838 -805.985 -5.478 92.385 1.00850.56 C ATOM 38244 C4* G B1838 -805.699 -5.394 90.905 1.00850.56 C ATOM 38245 O4* G B1838 -806.257 -6.551 90.235 1.00850.56 O ATOM 38246 C3* G B1838 -806.375 -4.266 90.166 1.00850.56 C ATOM 38247 O3* G B1838 -805.561 -3.103 90.312 1.00850.56 O ATOM 38248 C2* G B1838 -806.418 -4.733 88.713 1.00850.56 C ATOM 38249 O2* G B1838 -805.216 -4.429 88.039 1.00850.56 O ATOM 38250 C1* G B1838 -806.462 -6.252 88.864 1.00850.56 C ATOM 38251 N9 G B1838 -807.715 -6.854 88.425 1.00850.56 N ATOM 38252 C8 G B1838 -808.858 -7.024 89.164 1.00850.56 C ATOM 38253 N7 G B1838 -809.814 -7.622 88.506 1.00850.56 N ATOM 38254 C5 G B1838 -809.272 -7.857 87.249 1.00850.56 C ATOM 38255 C6 G B1838 -809.835 -8.484 86.104 1.00850.56 C ATOM 38256 O6 G B1838 -810.962 -8.980 85.965 1.00850.56 O ATOM 38257 N1 G B1838 -808.941 -8.509 85.039 1.00850.56 N ATOM 38258 C2 G B1838 -807.667 -8.000 85.069 1.00850.56 C ATOM 38259 N2 G B1838 -806.962 -8.119 83.933 1.00850.56 N ATOM 38260 N3 G B1838 -807.124 -7.418 86.131 1.00850.56 N ATOM 38261 C4 G B1838 -807.979 -7.382 87.178 1.00850.56 C ATOM 38262 P A B1839 -806.235 -1.686 90.685 1.00850.56 P ATOM 38263 O1P A B1839 -805.183 -0.882 91.359 1.00850.56 O ATOM 38264 O2P A B1839 -807.522 -1.935 91.379 1.00850.56 O ATOM 38265 O5* A B1839 -806.542 -0.992 89.279 1.00850.56 O ATOM 38266 C5* A B1839 -805.634 -1.134 88.199 1.00850.56 C ATOM 38267 C4* A B1839 -806.364 -1.350 86.897 1.00850.56 C ATOM 38268 O4* A B1839 -807.375 -2.372 87.067 1.00850.56 O ATOM 38269 C3* A B1839 -807.113 -0.152 86.340 1.00850.56 C ATOM 38270 O3* A B1839 -806.247 0.696 85.592 1.00850.56 O ATOM 38271 C2* A B1839 -808.170 -0.804 85.457 1.00850.56 C ATOM 38272 O2* A B1839 -807.671 -1.152 84.181 1.00850.56 O ATOM 38273 C1* A B1839 -808.492 -2.077 86.247 1.00850.56 C ATOM 38274 N9 A B1839 -809.659 -1.915 87.109 1.00850.56 N ATOM 38275 C8 A B1839 -809.764 -2.184 88.452 1.00850.56 C ATOM 38276 N7 A B1839 -810.949 -1.918 88.951 1.00850.56 N ATOM 38277 C5 A B1839 -811.670 -1.447 87.864 1.00850.56 C ATOM 38278 C6 A B1839 -812.996 -0.994 87.729 1.00850.56 C ATOM 38279 N6 A B1839 -813.863 -0.939 88.740 1.00850.56 N ATOM 38280 N1 A B1839 -813.398 -0.593 86.504 1.00850.56 N ATOM 38281 C2 A B1839 -812.526 -0.648 85.489 1.00850.56 C ATOM 38282 N3 A B1839 -811.258 -1.051 85.492 1.00850.56 N ATOM 38283 C4 A B1839 -810.888 -1.442 86.722 1.00850.56 C ATOM 38284 P A B1840 -806.805 2.084 85.004 1.00850.56 P ATOM 38285 O1P A B1840 -805.804 3.133 85.330 1.00850.56 O ATOM 38286 O2P A B1840 -808.210 2.245 85.456 1.00850.56 O ATOM 38287 O5* A B1840 -806.801 1.871 83.426 1.00850.56 O ATOM 38288 C5* A B1840 -805.930 0.918 82.822 1.00850.56 C ATOM 38289 C4* A B1840 -805.609 1.320 81.401 1.00850.56 C ATOM 38290 O4* A B1840 -804.761 0.309 80.796 1.00850.56 O ATOM 38291 C3* A B1840 -806.806 1.423 80.463 1.00850.56 C ATOM 38292 O3* A B1840 -807.473 2.682 80.531 1.00850.56 O ATOM 38293 C2* A B1840 -806.176 1.192 79.095 1.00850.56 C ATOM 38294 O2* A B1840 -805.590 2.360 78.561 1.00850.56 O ATOM 38295 C1* A B1840 -805.082 0.175 79.422 1.00850.56 C ATOM 38296 N9 A B1840 -805.515 -1.201 79.189 1.00850.56 N ATOM 38297 C8 A B1840 -805.892 -2.126 80.129 1.00850.56 C ATOM 38298 N7 A B1840 -806.230 -3.285 79.620 1.00850.56 N ATOM 38299 C5 A B1840 -806.071 -3.111 78.255 1.00850.56 C ATOM 38300 C6 A B1840 -806.271 -3.969 77.160 1.00850.56 C ATOM 38301 N6 A B1840 -806.686 -5.233 77.278 1.00850.56 N ATOM 38302 N1 A B1840 -806.024 -3.482 75.926 1.00850.56 N ATOM 38303 C2 A B1840 -805.606 -2.215 75.808 1.00850.56 C ATOM 38304 N3 A B1840 -805.378 -1.312 76.761 1.00850.56 N ATOM 38305 C4 A B1840 -805.631 -1.830 77.974 1.00850.56 C ATOM 38306 P G B1841 -809.077 2.742 80.445 1.00850.56 P ATOM 38307 O1P G B1841 -809.451 4.149 80.145 1.00850.56 O ATOM 38308 O2P G B1841 -809.634 2.078 81.650 1.00850.56 O ATOM 38309 O5* G B1841 -809.446 1.856 79.173 1.00850.56 O ATOM 38310 C5* G B1841 -809.116 2.280 77.850 1.00850.56 C ATOM 38311 C4* G B1841 -809.277 1.130 76.886 1.00850.56 C ATOM 38312 O4* G B1841 -808.457 0.019 77.340 1.00850.56 O ATOM 38313 C3* G B1841 -810.645 0.500 76.740 1.00850.56 C ATOM 38314 O3* G B1841 -811.458 1.273 75.868 1.00850.56 O ATOM 38315 C2* G B1841 -810.332 -0.882 76.190 1.00850.56 C ATOM 38316 O2* G B1841 -810.130 -0.876 74.789 1.00850.56 O ATOM 38317 C1* G B1841 -809.024 -1.206 76.910 1.00850.56 C ATOM 38318 N9 G B1841 -809.263 -2.024 78.094 1.00850.56 N ATOM 38319 C8 G B1841 -809.306 -1.588 79.394 1.00850.56 C ATOM 38320 N7 G B1841 -809.574 -2.539 80.246 1.00850.56 N ATOM 38321 C5 G B1841 -809.709 -3.674 79.460 1.00850.56 C ATOM 38322 C6 G B1841 -810.009 -5.012 79.825 1.00850.56 C ATOM 38323 O6 G B1841 -810.220 -5.477 80.951 1.00850.56 O ATOM 38324 N1 G B1841 -810.048 -5.845 78.712 1.00850.56 N ATOM 38325 C2 G B1841 -809.833 -5.448 77.416 1.00850.56 C ATOM 38326 N2 G B1841 -809.915 -6.406 76.483 1.00850.56 N ATOM 38327 N3 G B1841 -809.560 -4.204 77.062 1.00850.56 N ATOM 38328 C4 G B1841 -809.514 -3.375 78.129 1.00850.56 C ATOM 38329 P G B1842 -813.047 1.039 75.860 1.00850.56 P ATOM 38330 O1P G B1842 -813.668 2.174 75.129 1.00850.56 O ATOM 38331 O2P G B1842 -813.482 0.736 77.249 1.00850.56 O ATOM 38332 O5* G B1842 -813.240 -0.278 74.985 1.00850.56 O ATOM 38333 C5* G B1842 -812.949 -0.275 73.590 1.00850.56 C ATOM 38334 C4* G B1842 -813.266 -1.621 72.984 1.00850.56 C ATOM 38335 O4* G B1842 -812.402 -2.637 73.558 1.00850.56 O ATOM 38336 C3* G B1842 -814.676 -2.109 73.266 1.00850.56 C ATOM 38337 O3* G B1842 -815.596 -1.586 72.321 1.00850.56 O ATOM 38338 C2* G B1842 -814.534 -3.622 73.172 1.00850.56 C ATOM 38339 O2* G B1842 -814.588 -4.091 71.840 1.00850.56 O ATOM 38340 C1* G B1842 -813.132 -3.837 73.747 1.00850.56 C ATOM 38341 N9 G B1842 -813.181 -4.118 75.176 1.00850.56 N ATOM 38342 C8 G B1842 -812.426 -3.527 76.161 1.00850.56 C ATOM 38343 N7 G B1842 -812.709 -3.966 77.357 1.00850.56 N ATOM 38344 C5 G B1842 -813.711 -4.905 77.152 1.00850.56 C ATOM 38345 C6 G B1842 -814.417 -5.712 78.081 1.00850.56 C ATOM 38346 O6 G B1842 -814.305 -5.756 79.311 1.00850.56 O ATOM 38347 N1 G B1842 -815.344 -6.529 77.443 1.00850.56 N ATOM 38348 C2 G B1842 -815.564 -6.568 76.091 1.00850.56 C ATOM 38349 N2 G B1842 -816.503 -7.429 75.668 1.00850.56 N ATOM 38350 N3 G B1842 -814.916 -5.822 75.214 1.00850.56 N ATOM 38351 C4 G B1842 -814.007 -5.018 75.809 1.00850.56 C ATOM 38352 P U B1843 -817.027 -1.057 72.822 1.00850.56 P ATOM 38353 O1P U B1843 -817.753 -0.530 71.639 1.00850.56 O ATOM 38354 O2P U B1843 -816.808 -0.179 73.999 1.00850.56 O ATOM 38355 O5* U B1843 -817.764 -2.380 73.320 1.00850.56 O ATOM 38356 C5* U B1843 -818.558 -3.146 72.425 1.00850.56 C ATOM 38357 C4* U B1843 -819.647 -3.884 73.173 1.00850.56 C ATOM 38358 O4* U B1843 -819.074 -4.871 74.071 1.00850.56 O ATOM 38359 C3* U B1843 -820.508 -2.988 74.052 1.00850.56 C ATOM 38360 O3* U B1843 -821.573 -2.359 73.350 1.00850.56 O ATOM 38361 C2* U B1843 -821.008 -3.958 75.118 1.00850.56 C ATOM 38362 O2* U B1843 -822.126 -4.702 74.686 1.00850.56 O ATOM 38363 C1* U B1843 -819.806 -4.892 75.289 1.00850.56 C ATOM 38364 N1 U B1843 -818.910 -4.460 76.377 1.00850.56 N ATOM 38365 C2 U B1843 -819.271 -4.737 77.700 1.00850.56 C ATOM 38366 O2 U B1843 -820.296 -5.318 78.022 1.00850.56 O ATOM 38367 N3 U B1843 -818.379 -4.293 78.643 1.00850.56 N ATOM 38368 C4 U B1843 -817.198 -3.616 78.419 1.00850.56 C ATOM 38369 O4 U B1843 -816.507 -3.273 79.378 1.00850.56 O ATOM 38370 C5 U B1843 -816.903 -3.371 77.043 1.00850.56 C ATOM 38371 C6 U B1843 -817.745 -3.792 76.093 1.00850.56 C ATOM 38372 P C B1844 -822.127 -0.939 73.860 1.00850.56 P ATOM 38373 O1P C B1844 -823.143 -0.470 72.885 1.00850.56 O ATOM 38374 O2P C B1844 -820.961 -0.075 74.181 1.00850.56 O ATOM 38375 O5* C B1844 -822.868 -1.293 75.226 1.00850.56 O ATOM 38376 C5* C B1844 -824.069 -2.055 75.219 1.00850.56 C ATOM 38377 C4* C B1844 -824.879 -1.774 76.462 1.00850.56 C ATOM 38378 O4* C B1844 -824.217 -2.349 77.619 1.00850.56 O ATOM 38379 C3* C B1844 -825.063 -0.325 76.901 1.00850.56 C ATOM 38380 O3* C B1844 -826.100 0.302 76.155 1.00850.56 O ATOM 38381 C2* C B1844 -825.411 -0.428 78.383 1.00850.56 C ATOM 38382 O2* C B1844 -826.799 -0.606 78.601 1.00850.56 O ATOM 38383 C1* C B1844 -824.669 -1.702 78.794 1.00850.56 C ATOM 38384 N1 C B1844 -823.510 -1.450 79.668 1.00850.56 N ATOM 38385 C2 C B1844 -823.740 -1.149 81.015 1.00850.56 C ATOM 38386 O2 C B1844 -824.904 -1.094 81.427 1.00850.56 O ATOM 38387 N3 C B1844 -822.680 -0.926 81.830 1.00850.56 N ATOM 38388 C4 C B1844 -821.439 -0.993 81.344 1.00850.56 C ATOM 38389 N4 C B1844 -820.427 -0.767 82.186 1.00850.56 N ATOM 38390 C5 C B1844 -821.181 -1.290 79.977 1.00850.56 C ATOM 38391 C6 C B1844 -822.234 -1.512 79.181 1.00850.56 C ATOM 38392 P A B1845 -826.131 1.904 76.026 1.00850.56 P ATOM 38393 O1P A B1845 -826.100 2.220 74.574 1.00850.56 O ATOM 38394 O2P A B1845 -825.092 2.469 76.924 1.00850.56 O ATOM 38395 O5* A B1845 -827.565 2.311 76.587 1.00850.56 O ATOM 38396 C5* A B1845 -828.493 1.306 76.978 1.00850.56 C ATOM 38397 C4* A B1845 -829.113 1.629 78.320 1.00850.56 C ATOM 38398 O4* A B1845 -828.151 1.441 79.392 1.00850.56 O ATOM 38399 C3* A B1845 -829.569 3.077 78.428 1.00850.56 C ATOM 38400 O3* A B1845 -830.888 3.278 77.930 1.00850.56 O ATOM 38401 C2* A B1845 -829.511 3.327 79.929 1.00850.56 C ATOM 38402 O2* A B1845 -830.668 2.874 80.603 1.00850.56 O ATOM 38403 C1* A B1845 -828.310 2.479 80.349 1.00850.56 C ATOM 38404 N9 A B1845 -827.089 3.283 80.405 1.00850.56 N ATOM 38405 C8 A B1845 -825.885 3.099 79.776 1.00850.56 C ATOM 38406 N7 A B1845 -825.009 4.046 80.024 1.00850.56 N ATOM 38407 C5 A B1845 -825.685 4.907 80.878 1.00850.56 C ATOM 38408 C6 A B1845 -825.313 6.112 81.501 1.00850.56 C ATOM 38409 N6 A B1845 -824.125 6.693 81.340 1.00850.56 N ATOM 38410 N1 A B1845 -826.224 6.714 82.297 1.00850.56 N ATOM 38411 C2 A B1845 -827.423 6.140 82.448 1.00850.56 C ATOM 38412 N3 A B1845 -827.891 5.015 81.913 1.00850.56 N ATOM 38413 C4 A B1845 -826.960 4.441 81.129 1.00850.56 C ATOM 38414 P A B1846 -831.106 4.182 76.619 1.00850.56 P ATOM 38415 O1P A B1846 -831.338 3.265 75.474 1.00850.56 O ATOM 38416 O2P A B1846 -830.005 5.176 76.548 1.00850.56 O ATOM 38417 O5* A B1846 -832.463 4.968 76.905 1.00850.56 O ATOM 38418 C5* A B1846 -833.727 4.349 76.678 1.00850.56 C ATOM 38419 C4* A B1846 -834.633 4.534 77.876 1.00850.56 C ATOM 38420 O4* A B1846 -834.073 3.860 79.032 1.00850.56 O ATOM 38421 C3* A B1846 -834.846 5.958 78.337 1.00850.56 C ATOM 38422 O3* A B1846 -835.882 6.564 77.571 1.00850.56 O ATOM 38423 C2* A B1846 -835.239 5.793 79.801 1.00850.56 C ATOM 38424 O2* A B1846 -836.615 5.519 79.970 1.00850.56 O ATOM 38425 C1* A B1846 -834.423 4.564 80.210 1.00850.56 C ATOM 38426 N9 A B1846 -833.193 4.914 80.922 1.00850.56 N ATOM 38427 C8 A B1846 -832.093 5.580 80.436 1.00850.56 C ATOM 38428 N7 A B1846 -831.145 5.748 81.326 1.00850.56 N ATOM 38429 C5 A B1846 -831.650 5.152 82.471 1.00850.56 C ATOM 38430 C6 A B1846 -831.125 4.992 83.766 1.00850.56 C ATOM 38431 N6 A B1846 -829.925 5.442 84.141 1.00850.56 N ATOM 38432 N1 A B1846 -831.886 4.349 84.678 1.00850.56 N ATOM 38433 C2 A B1846 -833.092 3.901 84.305 1.00850.56 C ATOM 38434 N3 A B1846 -833.694 3.990 83.121 1.00850.56 N ATOM 38435 C4 A B1846 -832.911 4.631 82.237 1.00850.56 C ATOM 38436 P G B1847 -835.707 8.077 77.051 1.00850.56 P ATOM 38437 O1P G B1847 -836.980 8.473 76.394 1.00850.56 O ATOM 38438 O2P G B1847 -834.434 8.163 76.292 1.00850.56 O ATOM 38439 O5* G B1847 -835.551 8.931 78.388 1.00850.56 O ATOM 38440 C5* G B1847 -836.573 9.829 78.810 1.00850.56 C ATOM 38441 C4* G B1847 -835.977 10.954 79.619 1.00850.56 C ATOM 38442 O4* G B1847 -835.529 10.431 80.897 1.00850.56 O ATOM 38443 C3* G B1847 -834.742 11.615 79.069 1.00850.56 C ATOM 38444 O3* G B1847 -835.100 12.588 78.099 1.00850.56 O ATOM 38445 C2* G B1847 -834.093 12.229 80.302 1.00850.56 C ATOM 38446 O2* G B1847 -834.657 13.482 80.646 1.00850.56 O ATOM 38447 C1* G B1847 -834.432 11.191 81.373 1.00850.56 C ATOM 38448 N9 G B1847 -833.313 10.279 81.582 1.00850.56 N ATOM 38449 C8 G B1847 -832.983 9.191 80.810 1.00850.56 C ATOM 38450 N7 G B1847 -831.904 8.580 81.219 1.00850.56 N ATOM 38451 C5 G B1847 -831.501 9.305 82.331 1.00850.56 C ATOM 38452 C6 G B1847 -830.390 9.121 83.191 1.00850.56 C ATOM 38453 O6 G B1847 -829.507 8.256 83.135 1.00850.56 O ATOM 38454 N1 G B1847 -830.360 10.081 84.197 1.00850.56 N ATOM 38455 C2 G B1847 -831.277 11.088 84.356 1.00850.56 C ATOM 38456 N2 G B1847 -831.076 11.912 85.395 1.00850.56 N ATOM 38457 N3 G B1847 -832.318 11.274 83.559 1.00850.56 N ATOM 38458 C4 G B1847 -832.365 10.352 82.573 1.00850.56 C ATOM 38459 P U B1848 -834.065 12.952 76.923 1.00850.56 P ATOM 38460 O1P U B1848 -834.743 13.894 76.001 1.00850.56 O ATOM 38461 O2P U B1848 -833.509 11.678 76.393 1.00850.56 O ATOM 38462 O5* U B1848 -832.892 13.733 77.667 1.00850.56 O ATOM 38463 C5* U B1848 -833.122 15.016 78.242 1.00850.56 C ATOM 38464 C4* U B1848 -831.855 15.841 78.222 1.00850.56 C ATOM 38465 O4* U B1848 -830.918 15.338 79.207 1.00850.56 O ATOM 38466 C3* U B1848 -831.085 15.816 76.912 1.00850.56 C ATOM 38467 O3* U B1848 -831.588 16.761 75.975 1.00850.56 O ATOM 38468 C2* U B1848 -829.666 16.154 77.350 1.00850.56 C ATOM 38469 O2* U B1848 -829.456 17.548 77.473 1.00850.56 O ATOM 38470 C1* U B1848 -829.595 15.501 78.731 1.00850.56 C ATOM 38471 N1 U B1848 -828.938 14.187 78.713 1.00850.56 N ATOM 38472 C2 U B1848 -827.556 14.158 78.758 1.00850.56 C ATOM 38473 O2 U B1848 -826.876 15.169 78.820 1.00850.56 O ATOM 38474 N3 U B1848 -827.002 12.903 78.734 1.00850.56 N ATOM 38475 C4 U B1848 -827.672 11.700 78.667 1.00850.56 C ATOM 38476 O4 U B1848 -827.026 10.647 78.644 1.00850.56 O ATOM 38477 C5 U B1848 -829.097 11.813 78.623 1.00850.56 C ATOM 38478 C6 U B1848 -829.667 13.022 78.648 1.00850.56 C ATOM 38479 P G B1849 -831.914 16.298 74.471 1.00850.56 P ATOM 38480 O1P G B1849 -832.147 17.517 73.658 1.00850.56 O ATOM 38481 O2P G B1849 -832.961 15.245 74.532 1.00850.56 O ATOM 38482 O5* G B1849 -830.566 15.616 73.971 1.00850.56 O ATOM 38483 C5* G B1849 -829.329 16.333 73.954 1.00850.56 C ATOM 38484 C4* G B1849 -828.244 15.458 73.378 1.00850.56 C ATOM 38485 O4* G B1849 -828.090 14.284 74.217 1.00850.56 O ATOM 38486 C3* G B1849 -828.529 14.886 72.018 1.00850.56 C ATOM 38487 O3* G B1849 -828.179 15.870 71.055 1.00850.56 O ATOM 38488 C2* G B1849 -827.658 13.640 71.970 1.00850.56 C ATOM 38489 O2* G B1849 -826.316 13.928 71.626 1.00850.56 O ATOM 38490 C1* G B1849 -827.735 13.164 73.423 1.00850.56 C ATOM 38491 N9 G B1849 -828.780 12.166 73.618 1.00850.56 N ATOM 38492 C8 G B1849 -829.992 12.374 74.227 1.00850.56 C ATOM 38493 N7 G B1849 -830.741 11.308 74.259 1.00850.56 N ATOM 38494 C5 G B1849 -829.977 10.333 73.639 1.00850.56 C ATOM 38495 C6 G B1849 -830.269 8.975 73.381 1.00850.56 C ATOM 38496 O6 G B1849 -831.293 8.343 73.663 1.00850.56 O ATOM 38497 N1 G B1849 -829.217 8.343 72.727 1.00850.56 N ATOM 38498 C2 G B1849 -828.037 8.941 72.367 1.00850.56 C ATOM 38499 N2 G B1849 -827.145 8.159 71.743 1.00850.56 N ATOM 38500 N3 G B1849 -827.749 10.212 72.601 1.00850.56 N ATOM 38501 C4 G B1849 -828.758 10.845 73.237 1.00850.56 C ATOM 38502 P G B1850 -829.062 16.023 69.720 1.00850.56 P ATOM 38503 O1P G B1850 -830.488 16.059 70.129 1.00850.56 O ATOM 38504 O2P G B1850 -828.602 15.009 68.740 1.00850.56 O ATOM 38505 O5* G B1850 -828.668 17.462 69.170 1.00850.56 O ATOM 38506 C5* G B1850 -828.786 18.617 69.991 1.00850.56 C ATOM 38507 C4* G B1850 -827.880 19.711 69.480 1.00850.56 C ATOM 38508 O4* G B1850 -826.497 19.348 69.732 1.00850.56 O ATOM 38509 C3* G B1850 -827.933 19.941 67.990 1.00850.56 C ATOM 38510 O3* G B1850 -829.034 20.766 67.635 1.00850.56 O ATOM 38511 C2* G B1850 -826.579 20.573 67.696 1.00850.56 C ATOM 38512 O2* G B1850 -826.552 21.960 67.977 1.00850.56 O ATOM 38513 C1* G B1850 -825.679 19.822 68.678 1.00850.56 C ATOM 38514 N9 G B1850 -825.069 18.665 68.033 1.00850.56 N ATOM 38515 C8 G B1850 -825.681 17.474 67.728 1.00850.56 C ATOM 38516 N7 G B1850 -824.894 16.635 67.115 1.00850.56 N ATOM 38517 C5 G B1850 -823.683 17.308 67.017 1.00850.56 C ATOM 38518 C6 G B1850 -822.452 16.903 66.443 1.00850.56 C ATOM 38519 O6 G B1850 -822.174 15.838 65.883 1.00850.56 O ATOM 38520 N1 G B1850 -821.485 17.893 66.569 1.00850.56 N ATOM 38521 C2 G B1850 -821.672 19.117 67.163 1.00850.56 C ATOM 38522 N2 G B1850 -820.610 19.934 67.187 1.00850.56 N ATOM 38523 N3 G B1850 -822.818 19.507 67.696 1.00850.56 N ATOM 38524 C4 G B1850 -823.773 18.560 67.587 1.00850.56 C ATOM 38525 P A B1851 -830.194 20.165 66.693 1.00850.56 P ATOM 38526 O1P A B1851 -831.142 21.265 66.389 1.00850.56 O ATOM 38527 O2P A B1851 -830.695 18.919 67.324 1.00850.56 O ATOM 38528 O5* A B1851 -829.434 19.768 65.354 1.00850.56 O ATOM 38529 C5* A B1851 -828.657 20.729 64.644 1.00850.56 C ATOM 38530 C4* A B1851 -827.993 20.087 63.451 1.00850.56 C ATOM 38531 O4* A B1851 -827.009 19.126 63.909 1.00850.56 O ATOM 38532 C3* A B1851 -828.888 19.281 62.531 1.00850.56 C ATOM 38533 O3* A B1851 -829.571 20.112 61.601 1.00850.56 O ATOM 38534 C2* A B1851 -827.910 18.331 61.850 1.00850.56 C ATOM 38535 O2* A B1851 -827.250 18.927 60.751 1.00850.56 O ATOM 38536 C1* A B1851 -826.899 18.068 62.968 1.00850.56 C ATOM 38537 N9 A B1851 -827.164 16.810 63.664 1.00850.56 N ATOM 38538 C8 A B1851 -827.542 16.633 64.971 1.00850.56 C ATOM 38539 N7 A B1851 -827.725 15.375 65.302 1.00850.56 N ATOM 38540 C5 A B1851 -827.449 14.680 64.134 1.00850.56 C ATOM 38541 C6 A B1851 -827.465 13.309 63.825 1.00850.56 C ATOM 38542 N6 A B1851 -827.790 12.356 64.700 1.00850.56 N ATOM 38543 N1 A B1851 -827.133 12.946 62.568 1.00850.56 N ATOM 38544 C2 A B1851 -826.810 13.905 61.688 1.00850.56 C ATOM 38545 N3 A B1851 -826.759 15.223 61.860 1.00850.56 N ATOM 38546 C4 A B1851 -827.095 15.549 63.120 1.00850.56 C ATOM 38547 P G B1852 -831.128 19.848 61.296 1.00850.56 P ATOM 38548 O1P G B1852 -831.629 20.998 60.497 1.00850.56 O ATOM 38549 O2P G B1852 -831.799 19.495 62.572 1.00850.56 O ATOM 38550 O5* G B1852 -831.130 18.561 60.360 1.00850.56 O ATOM 38551 C5* G B1852 -830.139 18.381 59.349 1.00850.56 C ATOM 38552 C4* G B1852 -829.917 16.913 59.091 1.00850.56 C ATOM 38553 O4* G B1852 -829.258 16.315 60.235 1.00850.56 O ATOM 38554 C3* G B1852 -831.248 16.174 58.961 1.00850.56 C ATOM 38555 O3* G B1852 -831.743 16.173 57.626 1.00850.56 O ATOM 38556 C2* G B1852 -830.911 14.776 59.467 1.00850.56 C ATOM 38557 O2* G B1852 -830.321 13.962 58.472 1.00850.56 O ATOM 38558 C1* G B1852 -829.876 15.083 60.556 1.00850.56 C ATOM 38559 N9 G B1852 -830.459 15.207 61.890 1.00850.56 N ATOM 38560 C8 G B1852 -830.414 16.313 62.705 1.00850.56 C ATOM 38561 N7 G B1852 -831.028 16.135 63.841 1.00850.56 N ATOM 38562 C5 G B1852 -831.508 14.834 63.774 1.00850.56 C ATOM 38563 C6 G B1852 -832.257 14.083 64.716 1.00850.56 C ATOM 38564 O6 G B1852 -832.658 14.427 65.834 1.00850.56 O ATOM 38565 N1 G B1852 -832.532 12.804 64.245 1.00850.56 N ATOM 38566 C2 G B1852 -832.143 12.310 63.027 1.00850.56 C ATOM 38567 N2 G B1852 -832.506 11.048 62.757 1.00850.56 N ATOM 38568 N3 G B1852 -831.445 13.001 62.138 1.00850.56 N ATOM 38569 C4 G B1852 -831.166 14.246 62.577 1.00850.56 C ATOM 38570 P C B1853 -833.040 17.045 57.258 1.00850.56 P ATOM 38571 O1P C B1853 -832.670 17.938 56.131 1.00850.56 O ATOM 38572 O2P C B1853 -833.585 17.628 58.508 1.00850.56 O ATOM 38573 O5* C B1853 -834.081 15.969 56.714 1.00850.56 O ATOM 38574 C5* C B1853 -833.658 14.921 55.848 1.00850.56 C ATOM 38575 C4* C B1853 -834.167 13.590 56.349 1.00850.56 C ATOM 38576 O4* C B1853 -833.619 13.327 57.666 1.00850.56 O ATOM 38577 C3* C B1853 -835.667 13.544 56.539 1.00850.56 C ATOM 38578 O3* C B1853 -836.311 13.197 55.321 1.00850.56 O ATOM 38579 C2* C B1853 -835.843 12.482 57.614 1.00850.56 C ATOM 38580 O2* C B1853 -835.809 11.169 57.095 1.00850.56 O ATOM 38581 C1* C B1853 -834.613 12.733 58.488 1.00850.56 C ATOM 38582 N1 C B1853 -834.931 13.667 59.579 1.00850.56 N ATOM 38583 C2 C B1853 -835.829 13.261 60.566 1.00850.56 C ATOM 38584 O2 C B1853 -836.298 12.117 60.517 1.00850.56 O ATOM 38585 N3 C B1853 -836.158 14.130 61.552 1.00850.56 N ATOM 38586 C4 C B1853 -835.624 15.353 61.571 1.00850.56 C ATOM 38587 N4 C B1853 -835.988 16.179 62.553 1.00850.56 N ATOM 38588 C5 C B1853 -834.692 15.784 60.583 1.00850.56 C ATOM 38589 C6 C B1853 -834.373 14.915 59.614 1.00850.56 C ATOM 38590 P G B1854 -837.408 14.196 54.698 1.00850.56 P ATOM 38591 O1P G B1854 -837.348 14.076 53.222 1.00850.56 O ATOM 38592 O2P G B1854 -837.235 15.524 55.337 1.00850.56 O ATOM 38593 O5* G B1854 -838.794 13.589 55.196 1.00850.56 O ATOM 38594 C5* G B1854 -839.151 12.247 54.876 1.00850.56 C ATOM 38595 C4* G B1854 -840.037 11.668 55.950 1.00850.56 C ATOM 38596 O4* G B1854 -839.321 11.611 57.210 1.00850.56 O ATOM 38597 C3* G B1854 -841.287 12.474 56.256 1.00850.56 C ATOM 38598 O3* G B1854 -842.336 12.175 55.345 1.00850.56 O ATOM 38599 C2* G B1854 -841.616 12.040 57.680 1.00850.56 C ATOM 38600 O2* G B1854 -842.329 10.820 57.726 1.00850.56 O ATOM 38601 C1* G B1854 -840.224 11.836 58.279 1.00850.56 C ATOM 38602 N9 G B1854 -839.780 12.997 59.043 1.00850.56 N ATOM 38603 C8 G B1854 -838.755 13.866 58.747 1.00850.56 C ATOM 38604 N7 G B1854 -838.637 14.833 59.622 1.00850.56 N ATOM 38605 C5 G B1854 -839.638 14.582 60.550 1.00850.56 C ATOM 38606 C6 G B1854 -840.020 15.294 61.730 1.00850.56 C ATOM 38607 O6 G B1854 -839.549 16.327 62.207 1.00850.56 O ATOM 38608 N1 G B1854 -841.087 14.677 62.369 1.00850.56 N ATOM 38609 C2 G B1854 -841.713 13.541 61.949 1.00850.56 C ATOM 38610 N2 G B1854 -842.719 13.108 62.719 1.00850.56 N ATOM 38611 N3 G B1854 -841.382 12.873 60.859 1.00850.56 N ATOM 38612 C4 G B1854 -840.342 13.447 60.212 1.00850.56 C ATOM 38613 P G B1855 -843.263 13.364 54.787 1.00850.56 P ATOM 38614 O1P G B1855 -843.803 12.935 53.470 1.00850.56 O ATOM 38615 O2P G B1855 -842.505 14.632 54.891 1.00850.56 O ATOM 38616 O5* G B1855 -844.467 13.418 55.827 1.00850.56 O ATOM 38617 C5* G B1855 -845.777 13.017 55.440 1.00850.56 C ATOM 38618 C4* G B1855 -846.820 13.869 56.127 1.00850.56 C ATOM 38619 O4* G B1855 -846.744 13.716 57.571 1.00850.56 O ATOM 38620 C3* G B1855 -846.674 15.355 55.848 1.00850.56 C ATOM 38621 O3* G B1855 -847.398 15.673 54.668 1.00850.56 O ATOM 38622 C2* G B1855 -847.277 15.996 57.096 1.00850.56 C ATOM 38623 O2* G B1855 -848.684 16.118 57.013 1.00850.56 O ATOM 38624 C1* G B1855 -846.921 14.982 58.184 1.00850.56 C ATOM 38625 N9 G B1855 -845.716 15.310 58.944 1.00850.56 N ATOM 38626 C8 G B1855 -844.491 14.700 58.850 1.00850.56 C ATOM 38627 N7 G B1855 -843.604 15.198 59.668 1.00850.56 N ATOM 38628 C5 G B1855 -844.286 16.202 60.344 1.00850.56 C ATOM 38629 C6 G B1855 -843.843 17.092 61.362 1.00850.56 C ATOM 38630 O6 G B1855 -842.727 17.173 61.886 1.00850.56 O ATOM 38631 N1 G B1855 -844.858 17.955 61.765 1.00850.56 N ATOM 38632 C2 G B1855 -846.132 17.964 61.260 1.00850.56 C ATOM 38633 N2 G B1855 -846.958 18.886 61.786 1.00850.56 N ATOM 38634 N3 G B1855 -846.561 17.137 60.315 1.00850.56 N ATOM 38635 C4 G B1855 -845.592 16.290 59.907 1.00850.56 C ATOM 38636 P U B1856 -846.911 16.889 53.743 1.00850.56 P ATOM 38637 O1P U B1856 -847.407 16.633 52.368 1.00850.56 O ATOM 38638 O2P U B1856 -845.454 17.081 53.969 1.00850.56 O ATOM 38639 O5* U B1856 -847.689 18.145 54.334 1.00850.56 O ATOM 38640 C5* U B1856 -849.084 18.075 54.624 1.00850.56 C ATOM 38641 C4* U B1856 -849.431 19.050 55.719 1.00850.56 C ATOM 38642 O4* U B1856 -848.580 18.801 56.857 1.00850.56 O ATOM 38643 C3* U B1856 -849.281 20.554 55.420 1.00850.56 C ATOM 38644 O3* U B1856 -850.469 21.076 54.819 1.00850.56 O ATOM 38645 C2* U B1856 -849.040 21.156 56.807 1.00850.56 C ATOM 38646 O2* U B1856 -850.222 21.544 57.474 1.00850.56 O ATOM 38647 C1* U B1856 -848.372 20.000 57.567 1.00850.56 C ATOM 38648 N1 U B1856 -846.936 20.106 57.853 1.00850.56 N ATOM 38649 C2 U B1856 -846.558 20.774 58.993 1.00850.56 C ATOM 38650 O2 U B1856 -847.370 21.269 59.764 1.00850.56 O ATOM 38651 N3 U B1856 -845.199 20.829 59.206 1.00850.56 N ATOM 38652 C4 U B1856 -844.214 20.274 58.414 1.00850.56 C ATOM 38653 O4 U B1856 -843.033 20.444 58.706 1.00850.56 O ATOM 38654 C5 U B1856 -844.698 19.589 57.258 1.00850.56 C ATOM 38655 C6 U B1856 -846.007 19.541 57.019 1.00850.56 C ATOM 38656 P A B3865 -850.340 22.066 54.228 1.00853.88 P ATOM 38657 O1P A B3865 -851.695 22.425 53.746 1.00853.88 O ATOM 38658 O2P A B3865 -849.206 22.041 53.272 1.00853.88 O ATOM 38659 O5* A B3865 -850.009 23.094 55.382 1.00853.88 O ATOM 38660 C5* A B3865 -851.029 23.919 55.919 1.00853.88 C ATOM 38661 C4* A B3865 -850.464 25.275 56.179 1.00853.88 C ATOM 38662 O4* A B3865 -849.510 25.162 57.269 1.00853.88 O ATOM 38663 C3* A B3865 -849.709 25.880 54.995 1.00853.88 C ATOM 38664 O3* A B3865 -849.897 27.274 54.942 1.00853.88 O ATOM 38665 C2* A B3865 -848.256 25.588 55.323 1.00853.88 C ATOM 38666 O2* A B3865 -847.356 26.537 54.791 1.00853.88 O ATOM 38667 C1* A B3865 -848.253 25.640 56.844 1.00853.88 C ATOM 38668 N9 A B3865 -847.201 24.780 57.371 1.00853.88 N ATOM 38669 C8 A B3865 -846.292 24.041 56.656 1.00853.88 C ATOM 38670 N7 A B3865 -845.385 23.461 57.397 1.00853.88 N ATOM 38671 C5 A B3865 -845.732 23.819 58.687 1.00853.88 C ATOM 38672 C6 A B3865 -845.155 23.537 59.929 1.00853.88 C ATOM 38673 N6 A B3865 -844.040 22.818 60.080 1.00853.88 N ATOM 38674 N1 A B3865 -845.770 24.022 61.028 1.00853.88 N ATOM 38675 C2 A B3865 -846.883 24.747 60.870 1.00853.88 C ATOM 38676 N3 A B3865 -847.507 25.102 59.757 1.00853.88 N ATOM 38677 C4 A B3865 -846.871 24.603 58.687 1.00853.88 C ATOM 38678 P A B3866 -850.079 27.976 53.514 1.00853.88 P ATOM 38679 O1P A B3866 -851.518 27.918 53.155 1.00853.88 O ATOM 38680 O2P A B3866 -849.066 27.418 52.588 1.00853.88 O ATOM 38681 O5* A B3866 -849.719 29.486 53.816 1.00853.88 O ATOM 38682 C5* A B3866 -850.657 30.494 53.515 1.00853.88 C ATOM 38683 C4* A B3866 -850.346 31.717 54.313 1.00853.88 C ATOM 38684 O4* A B3866 -850.103 31.409 55.713 1.00853.88 O ATOM 38685 C3* A B3866 -849.084 32.460 53.977 1.00853.88 C ATOM 38686 O3* A B3866 -849.338 33.259 52.826 1.00853.88 O ATOM 38687 C2* A B3866 -848.860 33.344 55.178 1.00853.88 C ATOM 38688 O2* A B3866 -849.750 34.401 54.957 1.00853.88 O ATOM 38689 C1* A B3866 -849.445 32.510 56.317 1.00853.88 C ATOM 38690 N9 A B3866 -848.427 32.028 57.250 1.00853.88 N ATOM 38691 C8 A B3866 -847.883 30.774 57.329 1.00853.88 C ATOM 38692 N7 A B3866 -846.978 30.650 58.269 1.00853.88 N ATOM 38693 C5 A B3866 -846.920 31.908 58.850 1.00853.88 C ATOM 38694 C6 A B3866 -846.152 32.431 59.912 1.00853.88 C ATOM 38695 N6 A B3866 -845.271 31.723 60.616 1.00853.88 N ATOM 38696 N1 A B3866 -846.339 33.724 60.240 1.00853.88 N ATOM 38697 C2 A B3866 -847.240 34.435 59.554 1.00853.88 C ATOM 38698 N3 A B3866 -848.023 34.054 58.552 1.00853.88 N ATOM 38699 C4 A B3866 -847.811 32.764 58.238 1.00853.88 C ATOM 38700 P G B3867 -848.132 33.601 51.824 1.00853.88 P ATOM 38701 O1P G B3867 -848.245 35.037 51.453 1.00853.88 O ATOM 38702 O2P G B3867 -848.116 32.571 50.757 1.00853.88 O ATOM 38703 O5* G B3867 -846.831 33.415 52.726 1.00853.88 O ATOM 38704 C5* G B3867 -845.914 34.485 52.870 1.00853.88 C ATOM 38705 C4* G B3867 -844.768 34.368 51.903 1.00853.88 C ATOM 38706 O4* G B3867 -844.106 33.103 52.103 1.00853.88 O ATOM 38707 C3* G B3867 -845.125 34.417 50.423 1.00853.88 C ATOM 38708 O3* G B3867 -845.230 35.751 49.934 1.00853.88 O ATOM 38709 C2* G B3867 -843.968 33.655 49.788 1.00853.88 C ATOM 38710 O2* G B3867 -842.840 34.479 49.583 1.00853.88 O ATOM 38711 C1* G B3867 -843.660 32.607 50.864 1.00853.88 C ATOM 38712 N9 G B3867 -844.331 31.335 50.632 1.00853.88 N ATOM 38713 C8 G B3867 -845.576 30.970 51.086 1.00853.88 C ATOM 38714 N7 G B3867 -845.922 29.772 50.703 1.00853.88 N ATOM 38715 C5 G B3867 -844.843 29.321 49.956 1.00853.88 C ATOM 38716 C6 G B3867 -844.641 28.094 49.273 1.00853.88 C ATOM 38717 O6 G B3867 -845.401 27.129 49.175 1.00853.88 O ATOM 38718 N1 G B3867 -843.399 28.045 48.659 1.00853.88 N ATOM 38719 C2 G B3867 -842.466 29.040 48.701 1.00853.88 C ATOM 38720 N2 G B3867 -841.311 28.768 48.091 1.00853.88 N ATOM 38721 N3 G B3867 -842.646 30.202 49.310 1.00853.88 N ATOM 38722 C4 G B3867 -843.848 30.271 49.916 1.00853.88 C ATOM 38723 P U B3868 -846.188 36.065 48.682 1.00853.88 P ATOM 38724 O1P U B3868 -846.079 37.516 48.381 1.00853.88 O ATOM 38725 O2P U B3868 -847.521 35.474 48.965 1.00853.88 O ATOM 38726 O5* U B3868 -845.532 35.259 47.475 1.00853.88 O ATOM 38727 C5* U B3868 -844.206 35.538 47.041 1.00853.88 C ATOM 38728 C4* U B3868 -843.711 34.443 46.126 1.00853.88 C ATOM 38729 O4* U B3868 -843.650 33.195 46.862 1.00853.88 O ATOM 38730 C3* U B3868 -844.621 34.140 44.941 1.00853.88 C ATOM 38731 O3* U B3868 -844.367 34.997 43.834 1.00853.88 O ATOM 38732 C2* U B3868 -844.285 32.690 44.619 1.00853.88 C ATOM 38733 O2* U B3868 -843.124 32.565 43.818 1.00853.88 O ATOM 38734 C1* U B3868 -843.999 32.119 46.010 1.00853.88 C ATOM 38735 N1 U B3868 -845.133 31.401 46.612 1.00853.88 N ATOM 38736 C2 U B3868 -845.157 30.018 46.505 1.00853.88 C ATOM 38737 O2 U B3868 -844.291 29.379 45.939 1.00853.88 O ATOM 38738 N3 U B3868 -846.242 29.413 47.091 1.00853.88 N ATOM 38739 C4 U B3868 -847.277 30.033 47.757 1.00853.88 C ATOM 38740 O4 U B3868 -848.187 29.349 48.230 1.00853.88 O ATOM 38741 C5 U B3868 -847.177 31.461 47.822 1.00853.88 C ATOM 38742 C6 U B3868 -846.134 32.080 47.265 1.00853.88 C ATOM 38743 P G B3869 -845.526 35.973 43.300 1.00853.88 P ATOM 38744 O1P G B3869 -844.884 37.247 42.886 1.00853.88 O ATOM 38745 O2P G B3869 -846.611 35.995 44.313 1.00853.88 O ATOM 38746 O5* G B3869 -846.073 35.244 41.995 1.00853.88 O ATOM 38747 C5* G B3869 -845.181 34.601 41.087 1.00853.88 C ATOM 38748 C4* G B3869 -845.656 33.193 40.805 1.00853.88 C ATOM 38749 O4* G B3869 -845.677 32.432 42.041 1.00853.88 O ATOM 38750 C3* G B3869 -847.079 33.098 40.269 1.00853.88 C ATOM 38751 O3* G B3869 -847.164 33.286 38.860 1.00853.88 O ATOM 38752 C2* G B3869 -847.505 31.698 40.701 1.00853.88 C ATOM 38753 O2* G B3869 -847.055 30.694 39.815 1.00853.88 O ATOM 38754 C1* G B3869 -846.791 31.558 42.047 1.00853.88 C ATOM 38755 N9 G B3869 -847.640 31.922 43.176 1.00853.88 N ATOM 38756 C8 G B3869 -847.849 33.186 43.676 1.00853.88 C ATOM 38757 N7 G B3869 -848.668 33.204 44.692 1.00853.88 N ATOM 38758 C5 G B3869 -849.026 31.877 44.873 1.00853.88 C ATOM 38759 C6 G B3869 -849.893 31.279 45.823 1.00853.88 C ATOM 38760 O6 G B3869 -850.541 31.823 46.725 1.00853.88 O ATOM 38761 N1 G B3869 -849.964 29.901 45.651 1.00853.88 N ATOM 38762 C2 G B3869 -849.294 29.186 44.690 1.00853.88 C ATOM 38763 N2 G B3869 -849.496 27.860 44.688 1.00853.88 N ATOM 38764 N3 G B3869 -848.483 29.732 43.796 1.00853.88 N ATOM 38765 C4 G B3869 -848.396 31.071 43.946 1.00853.88 C ATOM 38766 P C B3870 -848.585 33.616 38.187 1.00853.88 P ATOM 38767 O1P C B3870 -848.425 33.477 36.718 1.00853.88 O ATOM 38768 O2P C B3870 -849.077 34.898 38.753 1.00853.88 O ATOM 38769 O5* C B3870 -849.536 32.443 38.697 1.00853.88 O ATOM 38770 C5* C B3870 -850.644 32.011 37.914 1.00853.88 C ATOM 38771 C4* C B3870 -850.331 30.688 37.252 1.00853.88 C ATOM 38772 O4* C B3870 -849.300 30.879 36.252 1.00853.88 O ATOM 38773 C3* C B3870 -849.723 29.645 38.158 1.00853.88 C ATOM 38774 O3* C B3870 -850.770 28.958 38.841 1.00853.88 O ATOM 38775 C2* C B3870 -848.965 28.722 37.209 1.00853.88 C ATOM 38776 O2* C B3870 -849.779 27.693 36.685 1.00853.88 O ATOM 38777 C1* C B3870 -848.569 29.679 36.084 1.00853.88 C ATOM 38778 N1 C B3870 -847.133 30.009 36.073 1.00853.88 N ATOM 38779 C2 C B3870 -846.297 29.341 35.175 1.00853.88 C ATOM 38780 O2 C B3870 -846.787 28.490 34.417 1.00853.88 O ATOM 38781 N3 C B3870 -844.976 29.635 35.159 1.00853.88 N ATOM 38782 C4 C B3870 -844.487 30.557 35.993 1.00853.88 C ATOM 38783 N4 C B3870 -843.179 30.817 35.942 1.00853.88 N ATOM 38784 C5 C B3870 -845.323 31.253 36.915 1.00853.88 C ATOM 38785 C6 C B3870 -846.625 30.951 36.922 1.00853.88 C ATOM 38786 P A B3871 -851.077 29.311 40.377 1.00853.88 P ATOM 38787 O1P A B3871 -852.555 29.393 40.526 1.00853.88 O ATOM 38788 O2P A B3871 -850.234 30.467 40.768 1.00853.88 O ATOM 38789 O5* A B3871 -850.571 28.030 41.182 1.00853.88 O ATOM 38790 C5* A B3871 -851.313 26.815 41.162 1.00853.88 C ATOM 38791 C4* A B3871 -850.538 25.742 40.432 1.00853.88 C ATOM 38792 O4* A B3871 -849.812 26.337 39.325 1.00853.88 O ATOM 38793 C3* A B3871 -849.478 24.984 41.236 1.00853.88 C ATOM 38794 O3* A B3871 -850.031 23.910 41.989 1.00853.88 O ATOM 38795 C2* A B3871 -848.525 24.507 40.149 1.00853.88 C ATOM 38796 O2* A B3871 -848.968 23.323 39.515 1.00853.88 O ATOM 38797 C1* A B3871 -848.574 25.668 39.155 1.00853.88 C ATOM 38798 N9 A B3871 -847.503 26.643 39.367 1.00853.88 N ATOM 38799 C8 A B3871 -847.368 27.529 40.407 1.00853.88 C ATOM 38800 N7 A B3871 -846.293 28.277 40.332 1.00853.88 N ATOM 38801 C5 A B3871 -845.680 27.856 39.160 1.00853.88 C ATOM 38802 C6 A B3871 -844.498 28.258 38.517 1.00853.88 C ATOM 38803 N6 A B3871 -843.690 29.214 38.982 1.00853.88 N ATOM 38804 N1 A B3871 -844.169 27.637 37.360 1.00853.88 N ATOM 38805 C2 A B3871 -844.979 26.682 36.895 1.00853.88 C ATOM 38806 N3 A B3871 -846.118 26.216 37.412 1.00853.88 N ATOM 38807 C4 A B3871 -846.416 26.851 38.555 1.00853.88 C ATOM 38808 P A B3872 -849.158 23.221 43.149 1.00853.88 P ATOM 38809 O1P A B3872 -850.021 22.216 43.820 1.00853.88 O ATOM 38810 O2P A B3872 -848.519 24.294 43.952 1.00853.88 O ATOM 38811 O5* A B3872 -848.012 22.441 42.359 1.00853.88 O ATOM 38812 C5* A B3872 -848.306 21.252 41.634 1.00853.88 C ATOM 38813 C4* A B3872 -847.152 20.893 40.729 1.00853.88 C ATOM 38814 O4* A B3872 -846.763 22.056 39.954 1.00853.88 O ATOM 38815 C3* A B3872 -845.855 20.414 41.354 1.00853.88 C ATOM 38816 O3* A B3872 -845.944 19.026 41.658 1.00853.88 O ATOM 38817 C2* A B3872 -844.831 20.696 40.262 1.00853.88 C ATOM 38818 O2* A B3872 -844.781 19.677 39.286 1.00853.88 O ATOM 38819 C1* A B3872 -845.386 21.979 39.637 1.00853.88 C ATOM 38820 N9 A B3872 -844.727 23.177 40.154 1.00853.88 N ATOM 38821 C8 A B3872 -845.231 24.105 41.030 1.00853.88 C ATOM 38822 N7 A B3872 -844.394 25.071 41.319 1.00853.88 N ATOM 38823 C5 A B3872 -843.260 24.760 40.579 1.00853.88 C ATOM 38824 C6 A B3872 -842.012 25.395 40.451 1.00853.88 C ATOM 38825 N6 A B3872 -841.684 26.520 41.091 1.00853.88 N ATOM 38826 N1 A B3872 -841.104 24.827 39.631 1.00853.88 N ATOM 38827 C2 A B3872 -841.433 23.698 38.989 1.00853.88 C ATOM 38828 N3 A B3872 -842.570 23.008 39.030 1.00853.88 N ATOM 38829 C4 A B3872 -843.452 23.598 39.854 1.00853.88 C ATOM 38830 P G B3873 -844.830 18.342 42.603 1.00853.88 P ATOM 38831 O1P G B3873 -844.279 17.177 41.866 1.00853.88 O ATOM 38832 O2P G B3873 -845.422 18.149 43.949 1.00853.88 O ATOM 38833 O5* G B3873 -843.678 19.437 42.717 1.00853.88 O ATOM 38834 C5* G B3873 -843.060 19.724 43.967 1.00853.88 C ATOM 38835 C4* G B3873 -842.260 21.001 43.870 1.00853.88 C ATOM 38836 O4* G B3873 -843.080 22.034 43.264 1.00853.88 O ATOM 38837 C3* G B3873 -841.789 21.608 45.175 1.00853.88 C ATOM 38838 O3* G B3873 -840.580 21.000 45.619 1.00853.88 O ATOM 38839 C2* G B3873 -841.614 23.079 44.823 1.00853.88 C ATOM 38840 O2* G B3873 -840.374 23.349 44.201 1.00853.88 O ATOM 38841 C1* G B3873 -842.749 23.296 43.814 1.00853.88 C ATOM 38842 N9 G B3873 -843.948 23.853 44.437 1.00853.88 N ATOM 38843 C8 G B3873 -844.869 23.186 45.208 1.00853.88 C ATOM 38844 N7 G B3873 -845.831 23.957 45.642 1.00853.88 N ATOM 38845 C5 G B3873 -845.523 25.211 45.124 1.00853.88 C ATOM 38846 C6 G B3873 -846.203 26.457 45.260 1.00853.88 C ATOM 38847 O6 G B3873 -847.236 26.718 45.889 1.00853.88 O ATOM 38848 N1 G B3873 -845.548 27.471 44.568 1.00853.88 N ATOM 38849 C2 G B3873 -844.393 27.311 43.842 1.00853.88 C ATOM 38850 N2 G B3873 -843.919 28.413 43.244 1.00853.88 N ATOM 38851 N3 G B3873 -843.751 26.162 43.710 1.00853.88 N ATOM 38852 C4 G B3873 -844.370 25.160 44.373 1.00853.88 C ATOM 38853 P C B3874 -840.611 19.967 46.855 1.00853.88 P ATOM 38854 O1P C B3874 -839.468 19.037 46.682 1.00853.88 O ATOM 38855 O2P C B3874 -841.982 19.427 47.009 1.00853.88 O ATOM 38856 O5* C B3874 -840.287 20.865 48.126 1.00853.88 O ATOM 38857 C5* C B3874 -838.955 21.001 48.583 1.00853.88 C ATOM 38858 C4* C B3874 -838.464 22.389 48.313 1.00853.88 C ATOM 38859 O4* C B3874 -839.247 22.912 47.191 1.00853.88 O ATOM 38860 C3* C B3874 -838.623 23.410 49.435 1.00853.88 C ATOM 38861 O3* C B3874 -837.497 23.446 50.390 1.00853.88 O ATOM 38862 C2* C B3874 -838.709 24.694 48.596 1.00853.88 C ATOM 38863 O2* C B3874 -837.468 25.192 48.140 1.00853.88 O ATOM 38864 C1* C B3874 -839.548 24.280 47.399 1.00853.88 C ATOM 38865 N1 C B3874 -841.009 24.437 47.619 1.00853.88 N ATOM 38866 C2 C B3874 -841.704 25.556 47.068 1.00853.88 C ATOM 38867 O2 C B3874 -841.075 26.441 46.471 1.00853.88 O ATOM 38868 N3 C B3874 -843.049 25.645 47.236 1.00853.88 N ATOM 38869 C4 C B3874 -843.699 24.709 47.934 1.00853.88 C ATOM 38870 N4 C B3874 -845.015 24.858 48.101 1.00853.88 N ATOM 38871 C5 C B3874 -843.026 23.590 48.511 1.00853.88 C ATOM 38872 C6 C B3874 -841.699 23.498 48.335 1.00853.88 C ATOM 38873 P A B3875 -837.695 23.249 52.029 1.00853.88 P ATOM 38874 O1P A B3875 -836.417 23.244 52.759 1.00853.88 O ATOM 38875 O2P A B3875 -838.517 22.019 52.034 1.00853.88 O ATOM 38876 O5* A B3875 -838.614 24.438 52.684 1.00853.88 O ATOM 38877 C5* A B3875 -839.184 24.544 54.050 1.00853.88 C ATOM 38878 C4* A B3875 -839.386 26.064 54.556 1.00853.88 C ATOM 38879 O4* A B3875 -840.201 26.888 53.689 1.00853.88 O ATOM 38880 C3* A B3875 -840.045 26.289 55.947 1.00853.88 C ATOM 38881 O3* A B3875 -839.196 26.168 57.086 1.00853.88 O ATOM 38882 C2* A B3875 -840.516 27.764 55.862 1.00853.88 C ATOM 38883 O2* A B3875 -839.538 28.662 56.331 1.00853.88 O ATOM 38884 C1* A B3875 -840.742 28.007 54.363 1.00853.88 C ATOM 38885 N9 A B3875 -842.080 28.200 53.764 1.00853.88 N ATOM 38886 C8 A B3875 -842.325 27.630 52.552 1.00853.88 C ATOM 38887 N7 A B3875 -843.584 27.612 52.203 1.00853.88 N ATOM 38888 C5 A B3875 -844.218 28.303 53.215 1.00853.88 C ATOM 38889 C6 A B3875 -845.573 28.570 53.452 1.00853.88 C ATOM 38890 N6 A B3875 -846.564 28.139 52.659 1.00853.88 N ATOM 38891 N1 A B3875 -845.887 29.272 54.549 1.00853.88 N ATOM 38892 C2 A B3875 -844.896 29.661 55.354 1.00853.88 C ATOM 38893 N3 A B3875 -843.579 29.457 55.253 1.00853.88 N ATOM 38894 C4 A B3875 -843.294 28.751 54.152 1.00853.88 C ATOM 38895 P A B3876 -839.747 25.500 58.439 1.00853.88 P ATOM 38896 O1P A B3876 -838.686 24.624 58.952 1.00853.88 O ATOM 38897 O2P A B3876 -841.088 24.933 58.159 1.00853.88 O ATOM 38898 O5* A B3876 -839.852 26.669 59.498 1.00853.88 O ATOM 38899 C5* A B3876 -839.402 27.960 59.161 1.00853.88 C ATOM 38900 C4* A B3876 -839.218 28.812 60.399 1.00853.88 C ATOM 38901 O4* A B3876 -840.472 29.299 60.956 1.00853.88 O ATOM 38902 C3* A B3876 -838.624 28.171 61.644 1.00853.88 C ATOM 38903 O3* A B3876 -837.227 28.025 61.460 1.00853.88 O ATOM 38904 C2* A B3876 -839.143 29.001 62.844 1.00853.88 C ATOM 38905 O2* A B3876 -838.215 30.003 63.195 1.00853.88 O ATOM 38906 C1* A B3876 -840.310 29.806 62.258 1.00853.88 C ATOM 38907 N9 A B3876 -841.657 29.873 62.881 1.00853.88 N ATOM 38908 C8 A B3876 -842.194 31.017 63.411 1.00853.88 C ATOM 38909 N7 A B3876 -843.435 30.923 63.778 1.00853.88 N ATOM 38910 C5 A B3876 -843.733 29.606 63.562 1.00853.88 C ATOM 38911 C6 A B3876 -844.883 28.869 63.811 1.00853.88 C ATOM 38912 N6 A B3876 -846.026 29.400 64.252 1.00853.88 N ATOM 38913 N1 A B3876 -844.834 27.555 63.570 1.00853.88 N ATOM 38914 C2 A B3876 -843.701 27.040 63.079 1.00853.88 C ATOM 38915 N3 A B3876 -842.565 27.633 62.765 1.00853.88 N ATOM 38916 C4 A B3876 -842.637 28.931 63.032 1.00853.88 C ATOM 38917 P A B3877 -836.365 27.203 62.511 1.00853.88 P ATOM 38918 O1P A B3877 -836.620 27.697 63.885 1.00853.88 O ATOM 38919 O2P A B3877 -834.978 26.990 62.023 1.00853.88 O ATOM 38920 O5* A B3877 -837.158 25.871 62.410 1.00853.88 O ATOM 38921 C5* A B3877 -837.557 25.290 63.612 1.00853.88 C ATOM 38922 C4* A B3877 -838.890 25.733 63.882 1.00853.88 C ATOM 38923 O4* A B3877 -839.737 25.466 62.728 1.00853.88 O ATOM 38924 C3* A B3877 -839.562 25.148 65.065 1.00853.88 C ATOM 38925 O3* A B3877 -838.971 25.771 66.267 1.00853.88 O ATOM 38926 C2* A B3877 -841.004 25.415 64.652 1.00853.88 C ATOM 38927 O2* A B3877 -841.375 26.752 64.862 1.00853.88 O ATOM 38928 C1* A B3877 -841.018 25.101 63.152 1.00853.88 C ATOM 38929 N9 A B3877 -841.255 23.712 62.718 1.00853.88 N ATOM 38930 C8 A B3877 -840.300 22.935 62.135 1.00853.88 C ATOM 38931 N7 A B3877 -840.698 21.735 61.808 1.00853.88 N ATOM 38932 C5 A B3877 -842.026 21.710 62.192 1.00853.88 C ATOM 38933 C6 A B3877 -843.003 20.706 62.102 1.00853.88 C ATOM 38934 N6 A B3877 -842.770 19.515 61.568 1.00853.88 N ATOM 38935 N1 A B3877 -844.233 20.968 62.574 1.00853.88 N ATOM 38936 C2 A B3877 -844.458 22.173 63.102 1.00853.88 C ATOM 38937 N3 A B3877 -843.612 23.215 63.244 1.00853.88 N ATOM 38938 C4 A B3877 -842.396 22.918 62.757 1.00853.88 C ATOM 38939 P G B1861 -839.246 25.774 68.440 1.00855.43 P ATOM 38940 O1P G B1861 -837.797 25.752 68.759 1.00855.43 O ATOM 38941 O2P G B1861 -839.966 24.504 68.250 1.00855.43 O ATOM 38942 O5* G B1861 -839.948 26.692 69.655 1.00855.43 O ATOM 38943 C5* G B1861 -839.739 26.588 71.222 1.00855.43 C ATOM 38944 C4* G B1861 -840.983 27.111 72.153 1.00855.43 C ATOM 38945 O4* G B1861 -841.410 28.560 71.972 1.00855.43 O ATOM 38946 C3* G B1861 -842.336 26.536 71.792 1.00855.43 C ATOM 38947 O3* G B1861 -842.498 25.295 72.434 1.00855.43 O ATOM 38948 C2* G B1861 -843.464 27.558 71.990 1.00855.43 C ATOM 38949 O2* G B1861 -844.390 27.129 72.956 1.00855.43 O ATOM 38950 C1* G B1861 -842.752 28.874 72.424 1.00855.43 C ATOM 38951 N9 G B1861 -843.237 30.260 71.938 1.00855.43 N ATOM 38952 C8 G B1861 -842.840 31.421 72.524 1.00855.43 C ATOM 38953 N7 G B1861 -843.122 32.522 71.895 1.00855.43 N ATOM 38954 C5 G B1861 -843.833 32.135 70.807 1.00855.43 C ATOM 38955 C6 G B1861 -844.321 32.939 69.762 1.00855.43 C ATOM 38956 O6 G B1861 -844.150 34.158 69.585 1.00855.43 O ATOM 38957 N1 G B1861 -845.044 32.206 68.854 1.00855.43 N ATOM 38958 C2 G B1861 -845.230 30.850 68.927 1.00855.43 C ATOM 38959 N2 G B1861 -845.985 30.343 67.963 1.00855.43 N ATOM 38960 N3 G B1861 -844.724 30.056 69.883 1.00855.43 N ATOM 38961 C4 G B1861 -844.032 30.757 70.805 1.00855.43 C ATOM 38962 P C B1862 -841.924 23.566 70.706 1.00850.56 P ATOM 38963 O1P C B1862 -841.399 22.574 71.666 1.00850.56 O ATOM 38964 O2P C B1862 -841.117 23.929 69.505 1.00850.56 O ATOM 38965 O5* C B1862 -843.355 23.088 70.191 1.00850.56 O ATOM 38966 C5* C B1862 -843.739 21.718 70.286 1.00850.56 C ATOM 38967 C4* C B1862 -845.026 21.469 69.526 1.00850.56 C ATOM 38968 O4* C B1862 -844.851 21.832 68.143 1.00850.56 O ATOM 38969 C3* C B1862 -845.432 20.013 69.513 1.00850.56 C ATOM 38970 O3* C B1862 -846.206 19.677 70.636 1.00850.56 O ATOM 38971 C2* C B1862 -846.262 19.952 68.227 1.00850.56 C ATOM 38972 O2* C B1862 -847.556 20.496 68.412 1.00850.56 O ATOM 38973 C1* C B1862 -845.497 20.896 67.306 1.00850.56 C ATOM 38974 N1 C B1862 -844.484 20.309 66.419 1.00850.56 N ATOM 38975 C2 C B1862 -844.875 19.798 65.163 1.00850.56 C ATOM 38976 O2 C B1862 -846.071 19.842 64.834 1.00850.56 O ATOM 38977 N3 C B1862 -843.933 19.277 64.346 1.00850.56 N ATOM 38978 C4 C B1862 -842.655 19.248 64.735 1.00850.56 C ATOM 38979 N4 C B1862 -841.763 18.724 63.897 1.00850.56 N ATOM 38980 C5 C B1862 -842.237 19.754 65.996 1.00850.56 C ATOM 38981 C6 C B1862 -843.175 20.267 66.800 1.00850.56 C ATOM 38982 P U B1863 -845.868 18.333 71.416 1.00850.56 P ATOM 38983 O1P U B1863 -847.096 17.876 72.108 1.00850.56 O ATOM 38984 O2P U B1863 -844.630 18.591 72.199 1.00850.56 O ATOM 38985 O5* U B1863 -845.526 17.334 70.226 1.00850.56 O ATOM 38986 C5* U B1863 -844.677 16.217 70.423 1.00850.56 C ATOM 38987 C4* U B1863 -844.713 15.321 69.211 1.00850.56 C ATOM 38988 O4* U B1863 -844.343 16.061 68.018 1.00850.56 O ATOM 38989 C3* U B1863 -843.763 14.125 69.244 1.00850.56 C ATOM 38990 O3* U B1863 -844.291 13.016 69.966 1.00850.56 O ATOM 38991 C2* U B1863 -843.560 13.821 67.760 1.00850.56 C ATOM 38992 O2* U B1863 -844.608 13.032 67.236 1.00850.56 O ATOM 38993 C1* U B1863 -843.622 15.219 67.133 1.00850.56 C ATOM 38994 N1 U B1863 -842.318 15.850 66.859 1.00850.56 N ATOM 38995 C2 U B1863 -841.872 15.946 65.540 1.00850.56 C ATOM 38996 O2 U B1863 -842.481 15.514 64.580 1.00850.56 O ATOM 38997 N3 U B1863 -840.667 16.580 65.385 1.00850.56 N ATOM 38998 C4 U B1863 -839.870 17.107 66.369 1.00850.56 C ATOM 38999 O4 U B1863 -838.814 17.659 66.057 1.00850.56 O ATOM 39000 C5 U B1863 -840.382 16.957 67.696 1.00850.56 C ATOM 39001 C6 U B1863 -841.559 16.350 67.891 1.00850.56 C ATOM 39002 P G B1864 -843.296 12.007 70.724 1.00850.56 P ATOM 39003 O1P G B1864 -843.932 11.646 72.016 1.00850.56 O ATOM 39004 O2P G B1864 -841.929 12.588 70.718 1.00850.56 O ATOM 39005 O5* G B1864 -843.308 10.717 69.794 1.00850.56 O ATOM 39006 C5* G B1864 -842.107 10.034 69.460 1.00850.56 C ATOM 39007 C4* G B1864 -842.099 9.724 67.984 1.00850.56 C ATOM 39008 O4* G B1864 -842.327 10.948 67.241 1.00850.56 O ATOM 39009 C3* G B1864 -840.815 9.160 67.410 1.00850.56 C ATOM 39010 O3* G B1864 -840.746 7.751 67.598 1.00850.56 O ATOM 39011 C2* G B1864 -840.908 9.546 65.937 1.00850.56 C ATOM 39012 O2* G B1864 -841.698 8.638 65.192 1.00850.56 O ATOM 39013 C1* G B1864 -841.626 10.897 66.012 1.00850.56 C ATOM 39014 N9 G B1864 -840.700 12.020 65.973 1.00850.56 N ATOM 39015 C8 G B1864 -840.501 12.966 66.952 1.00850.56 C ATOM 39016 N7 G B1864 -839.592 13.849 66.633 1.00850.56 N ATOM 39017 C5 G B1864 -839.169 13.460 65.367 1.00850.56 C ATOM 39018 C6 G B1864 -838.195 14.034 64.509 1.00850.56 C ATOM 39019 O6 G B1864 -837.487 15.027 64.702 1.00850.56 O ATOM 39020 N1 G B1864 -838.081 13.320 63.318 1.00850.56 N ATOM 39021 C2 G B1864 -838.812 12.201 62.995 1.00850.56 C ATOM 39022 N2 G B1864 -838.559 11.657 61.797 1.00850.56 N ATOM 39023 N3 G B1864 -839.720 11.662 63.788 1.00850.56 N ATOM 39024 C4 G B1864 -839.846 12.335 64.947 1.00850.56 C ATOM 39025 P C B1865 -839.314 7.039 67.750 1.00850.56 P ATOM 39026 O1P C B1865 -839.551 5.573 67.772 1.00850.56 O ATOM 39027 O2P C B1865 -838.592 7.681 68.878 1.00850.56 O ATOM 39028 O5* C B1865 -838.556 7.399 66.396 1.00850.56 O ATOM 39029 C5* C B1865 -838.836 6.692 65.193 1.00850.56 C ATOM 39030 C4* C B1865 -838.012 7.242 64.048 1.00850.56 C ATOM 39031 O4* C B1865 -838.238 8.671 63.935 1.00850.56 O ATOM 39032 C3* C B1865 -836.492 7.099 64.137 1.00850.56 C ATOM 39033 O3* C B1865 -836.019 5.831 63.690 1.00850.56 O ATOM 39034 C2* C B1865 -836.006 8.220 63.221 1.00850.56 C ATOM 39035 O2* C B1865 -836.016 7.848 61.856 1.00850.56 O ATOM 39036 C1* C B1865 -837.064 9.301 63.455 1.00850.56 C ATOM 39037 N1 C B1865 -836.650 10.327 64.423 1.00850.56 N ATOM 39038 C2 C B1865 -835.746 11.315 64.014 1.00850.56 C ATOM 39039 O2 C B1865 -835.320 11.289 62.850 1.00850.56 O ATOM 39040 N3 C B1865 -835.359 12.265 64.895 1.00850.56 N ATOM 39041 C4 C B1865 -835.843 12.258 66.139 1.00850.56 C ATOM 39042 N4 C B1865 -835.435 13.216 66.972 1.00850.56 N ATOM 39043 C5 C B1865 -836.761 11.261 66.585 1.00850.56 C ATOM 39044 C6 C B1865 -837.133 10.327 65.703 1.00850.56 C ATOM 39045 P G B1866 -834.617 5.264 64.234 1.00850.56 P ATOM 39046 O1P G B1866 -833.967 4.541 63.113 1.00850.56 O ATOM 39047 O2P G B1866 -834.868 4.554 65.514 1.00850.56 O ATOM 39048 O5* G B1866 -833.755 6.569 64.548 1.00850.56 O ATOM 39049 C5* G B1866 -832.817 7.075 63.599 1.00850.56 C ATOM 39050 C4* G B1866 -831.784 7.930 64.293 1.00850.56 C ATOM 39051 O4* G B1866 -832.425 9.140 64.773 1.00850.56 O ATOM 39052 C3* G B1866 -831.100 7.374 65.530 1.00850.56 C ATOM 39053 O3* G B1866 -830.022 6.505 65.203 1.00850.56 O ATOM 39054 C2* G B1866 -830.627 8.631 66.254 1.00850.56 C ATOM 39055 O2* G B1866 -829.397 9.115 65.755 1.00850.56 O ATOM 39056 C1* G B1866 -831.743 9.622 65.920 1.00850.56 C ATOM 39057 N9 G B1866 -832.722 9.757 66.995 1.00850.56 N ATOM 39058 C8 G B1866 -833.585 8.791 67.454 1.00850.56 C ATOM 39059 N7 G B1866 -834.339 9.206 68.434 1.00850.56 N ATOM 39060 C5 G B1866 -833.948 10.521 68.638 1.00850.56 C ATOM 39061 C6 G B1866 -834.412 11.484 69.572 1.00850.56 C ATOM 39062 O6 G B1866 -835.287 11.361 70.436 1.00850.56 O ATOM 39063 N1 G B1866 -833.742 12.694 69.431 1.00850.56 N ATOM 39064 C2 G B1866 -832.754 12.949 68.512 1.00850.56 C ATOM 39065 N2 G B1866 -832.232 14.184 68.532 1.00850.56 N ATOM 39066 N3 G B1866 -832.313 12.060 67.637 1.00850.56 N ATOM 39067 C4 G B1866 -832.952 10.878 67.755 1.00850.56 C ATOM 39068 P A B1867 -829.812 5.147 66.039 1.00850.56 P ATOM 39069 O1P A B1867 -830.459 4.047 65.282 1.00850.56 O ATOM 39070 O2P A B1867 -830.214 5.399 67.448 1.00850.56 O ATOM 39071 O5* A B1867 -828.238 4.906 66.010 1.00850.56 O ATOM 39072 C5* A B1867 -827.471 4.978 67.211 1.00850.56 C ATOM 39073 C4* A B1867 -826.758 6.307 67.304 1.00850.56 C ATOM 39074 O4* A B1867 -827.693 7.381 67.037 1.00850.56 O ATOM 39075 C3* A B1867 -826.176 6.631 68.664 1.00850.56 C ATOM 39076 O3* A B1867 -824.901 6.027 68.830 1.00850.56 O ATOM 39077 C2* A B1867 -826.130 8.153 68.657 1.00850.56 C ATOM 39078 O2* A B1867 -824.988 8.660 67.991 1.00850.56 O ATOM 39079 C1* A B1867 -827.391 8.497 67.855 1.00850.56 C ATOM 39080 N9 A B1867 -828.551 8.737 68.712 1.00850.56 N ATOM 39081 C8 A B1867 -829.367 7.784 69.271 1.00850.56 C ATOM 39082 N7 A B1867 -830.347 8.282 69.985 1.00850.56 N ATOM 39083 C5 A B1867 -830.159 9.655 69.895 1.00850.56 C ATOM 39084 C6 A B1867 -830.870 10.737 70.431 1.00850.56 C ATOM 39085 N6 A B1867 -831.958 10.604 71.193 1.00850.56 N ATOM 39086 N1 A B1867 -830.420 11.981 70.152 1.00850.56 N ATOM 39087 C2 A B1867 -829.333 12.113 69.383 1.00850.56 C ATOM 39088 N3 A B1867 -828.582 11.170 68.818 1.00850.56 N ATOM 39089 C4 A B1867 -829.053 9.948 69.117 1.00850.56 C ATOM 39090 P A B1868 -824.078 6.281 70.188 1.00850.56 P ATOM 39091 O1P A B1868 -823.250 5.072 70.429 1.00850.56 O ATOM 39092 O2P A B1868 -825.028 6.737 71.230 1.00850.56 O ATOM 39093 O5* A B1868 -823.104 7.489 69.836 1.00850.56 O ATOM 39094 C5* A B1868 -822.357 7.490 68.624 1.00850.56 C ATOM 39095 C4* A B1868 -821.583 8.777 68.484 1.00850.56 C ATOM 39096 O4* A B1868 -822.506 9.893 68.377 1.00850.56 O ATOM 39097 C3* A B1868 -820.692 9.125 69.674 1.00850.56 C ATOM 39098 O3* A B1868 -819.422 8.486 69.627 1.00850.56 O ATOM 39099 C2* A B1868 -820.576 10.639 69.563 1.00850.56 C ATOM 39100 O2* A B1868 -819.586 11.045 68.639 1.00850.56 O ATOM 39101 C1* A B1868 -821.959 11.025 69.033 1.00850.56 C ATOM 39102 N9 A B1868 -822.870 11.436 70.097 1.00850.56 N ATOM 39103 C8 A B1868 -824.153 11.011 70.337 1.00850.56 C ATOM 39104 N7 A B1868 -824.704 11.561 71.392 1.00850.56 N ATOM 39105 C5 A B1868 -823.716 12.408 71.882 1.00850.56 C ATOM 39106 C6 A B1868 -823.675 13.275 72.989 1.00850.56 C ATOM 39107 N6 A B1868 -824.689 13.440 73.840 1.00850.56 N ATOM 39108 N1 A B1868 -822.540 13.979 73.187 1.00850.56 N ATOM 39109 C2 A B1868 -821.522 13.812 72.335 1.00850.56 C ATOM 39110 N3 A B1868 -821.443 13.027 71.263 1.00850.56 N ATOM 39111 C4 A B1868 -822.586 12.345 71.088 1.00850.56 C ATOM 39112 P A B1869 -819.042 7.384 70.735 1.00850.56 P ATOM 39113 O1P A B1869 -817.657 6.931 70.455 1.00850.56 O ATOM 39114 O2P A B1869 -820.144 6.390 70.795 1.00850.56 O ATOM 39115 O5* A B1869 -819.030 8.203 72.104 1.00850.56 O ATOM 39116 C5* A B1869 -818.503 9.525 72.155 1.00850.56 C ATOM 39117 C4* A B1869 -819.329 10.386 73.085 1.00850.56 C ATOM 39118 O4* A B1869 -820.707 10.418 72.631 1.00850.56 O ATOM 39119 C3* A B1869 -819.392 9.860 74.507 1.00850.56 C ATOM 39120 O3* A B1869 -818.285 10.333 75.265 1.00850.56 O ATOM 39121 C2* A B1869 -820.715 10.423 75.016 1.00850.56 C ATOM 39122 O2* A B1869 -820.603 11.751 75.482 1.00850.56 O ATOM 39123 C1* A B1869 -821.578 10.391 73.751 1.00850.56 C ATOM 39124 N9 A B1869 -822.399 9.186 73.672 1.00850.56 N ATOM 39125 C8 A B1869 -822.112 8.008 73.029 1.00850.56 C ATOM 39126 N7 A B1869 -823.039 7.092 73.161 1.00850.56 N ATOM 39127 C5 A B1869 -824.004 7.708 73.942 1.00850.56 C ATOM 39128 C6 A B1869 -825.240 7.262 74.445 1.00850.56 C ATOM 39129 N6 A B1869 -825.727 6.037 74.237 1.00850.56 N ATOM 39130 N1 A B1869 -825.964 8.129 75.190 1.00850.56 N ATOM 39131 C2 A B1869 -825.470 9.352 75.409 1.00850.56 C ATOM 39132 N3 A B1869 -824.323 9.886 74.996 1.00850.56 N ATOM 39133 C4 A B1869 -823.629 9.000 74.258 1.00850.56 C ATOM 39134 P U B1870 -817.612 9.379 76.374 1.00850.56 P ATOM 39135 O1P U B1870 -816.435 10.094 76.928 1.00850.56 O ATOM 39136 O2P U B1870 -817.435 8.031 75.771 1.00850.56 O ATOM 39137 O5* U B1870 -818.714 9.263 77.519 1.00850.56 O ATOM 39138 C5* U B1870 -819.250 10.428 78.151 1.00850.56 C ATOM 39139 C4* U B1870 -820.514 10.070 78.898 1.00850.56 C ATOM 39140 O4* U B1870 -821.522 9.689 77.931 1.00850.56 O ATOM 39141 C3* U B1870 -820.381 8.862 79.793 1.00850.56 C ATOM 39142 O3* U B1870 -819.930 9.280 81.077 1.00850.56 O ATOM 39143 C2* U B1870 -821.798 8.305 79.845 1.00850.56 C ATOM 39144 O2* U B1870 -822.601 8.959 80.809 1.00850.56 O ATOM 39145 C1* U B1870 -822.316 8.638 78.446 1.00850.56 C ATOM 39146 N1 U B1870 -822.226 7.510 77.506 1.00850.56 N ATOM 39147 C2 U B1870 -823.277 6.621 77.453 1.00850.56 C ATOM 39148 O2 U B1870 -824.269 6.724 78.155 1.00850.56 O ATOM 39149 N3 U B1870 -823.127 5.601 76.545 1.00850.56 N ATOM 39150 C4 U B1870 -822.052 5.384 75.708 1.00850.56 C ATOM 39151 O4 U B1870 -822.065 4.419 74.942 1.00850.56 O ATOM 39152 C5 U B1870 -821.000 6.344 75.829 1.00850.56 C ATOM 39153 C6 U B1870 -821.120 7.348 76.700 1.00850.56 C ATOM 39154 P G B1871 -818.466 8.851 81.590 1.00850.56 P ATOM 39155 O1P G B1871 -818.173 9.643 82.811 1.00850.56 O ATOM 39156 O2P G B1871 -817.534 8.906 80.436 1.00850.56 O ATOM 39157 O5* G B1871 -818.636 7.325 82.016 1.00850.56 O ATOM 39158 C5* G B1871 -819.652 6.928 82.936 1.00850.56 C ATOM 39159 C4* G B1871 -820.192 5.569 82.553 1.00850.56 C ATOM 39160 O4* G B1871 -820.615 5.606 81.163 1.00850.56 O ATOM 39161 C3* G B1871 -819.218 4.421 82.547 1.00850.56 C ATOM 39162 O3* G B1871 -819.016 3.929 83.863 1.00850.56 O ATOM 39163 C2* G B1871 -819.878 3.396 81.636 1.00850.56 C ATOM 39164 O2* G B1871 -820.844 2.607 82.308 1.00850.56 O ATOM 39165 C1* G B1871 -820.560 4.299 80.611 1.00850.56 C ATOM 39166 N9 G B1871 -819.819 4.391 79.355 1.00850.56 N ATOM 39167 C8 G B1871 -820.206 3.890 78.135 1.00850.56 C ATOM 39168 N7 G B1871 -819.352 4.140 77.180 1.00850.56 N ATOM 39169 C5 G B1871 -818.333 4.846 77.806 1.00850.56 C ATOM 39170 C6 G B1871 -817.131 5.390 77.280 1.00850.56 C ATOM 39171 O6 G B1871 -816.717 5.361 76.115 1.00850.56 O ATOM 39172 N1 G B1871 -816.380 6.024 78.265 1.00850.56 N ATOM 39173 C2 G B1871 -816.739 6.124 79.587 1.00850.56 C ATOM 39174 N2 G B1871 -815.877 6.773 80.382 1.00850.56 N ATOM 39175 N3 G B1871 -817.851 5.626 80.090 1.00850.56 N ATOM 39176 C4 G B1871 -818.599 5.003 79.151 1.00850.56 C ATOM 39177 P A B1872 -817.727 3.016 84.171 1.00850.56 P ATOM 39178 O1P A B1872 -816.675 3.900 84.729 1.00850.56 O ATOM 39179 O2P A B1872 -817.438 2.203 82.964 1.00850.56 O ATOM 39180 O5* A B1872 -818.216 2.037 85.327 1.00850.56 O ATOM 39181 C5* A B1872 -817.707 2.158 86.649 1.00850.56 C ATOM 39182 C4* A B1872 -818.572 1.387 87.612 1.00850.56 C ATOM 39183 O4* A B1872 -819.825 2.091 87.816 1.00850.56 O ATOM 39184 C3* A B1872 -818.969 0.034 87.027 1.00850.56 C ATOM 39185 O3* A B1872 -818.013 -0.989 87.284 1.00850.56 O ATOM 39186 C2* A B1872 -820.307 -0.240 87.702 1.00850.56 C ATOM 39187 O2* A B1872 -820.163 -0.785 89.000 1.00850.56 O ATOM 39188 C1* A B1872 -820.899 1.168 87.799 1.00850.56 C ATOM 39189 N9 A B1872 -821.759 1.478 86.659 1.00850.56 N ATOM 39190 C8 A B1872 -821.804 2.634 85.913 1.00850.56 C ATOM 39191 N7 A B1872 -822.672 2.596 84.933 1.00850.56 N ATOM 39192 C5 A B1872 -823.245 1.336 85.043 1.00850.56 C ATOM 39193 C6 A B1872 -824.239 0.680 84.297 1.00850.56 C ATOM 39194 N6 A B1872 -824.860 1.221 83.246 1.00850.56 N ATOM 39195 N1 A B1872 -824.580 -0.573 84.671 1.00850.56 N ATOM 39196 C2 A B1872 -823.958 -1.119 85.724 1.00850.56 C ATOM 39197 N3 A B1872 -823.011 -0.606 86.504 1.00850.56 N ATOM 39198 C4 A B1872 -822.697 0.642 86.104 1.00850.56 C ATOM 39199 P A B1873 -817.338 -1.771 86.053 1.00850.56 P ATOM 39200 O1P A B1873 -815.912 -1.362 85.990 1.00850.56 O ATOM 39201 O2P A B1873 -818.205 -1.588 84.857 1.00850.56 O ATOM 39202 O5* A B1873 -817.400 -3.299 86.487 1.00850.56 O ATOM 39203 C5* A B1873 -817.244 -3.680 87.851 1.00850.56 C ATOM 39204 C4* A B1873 -818.565 -4.135 88.425 1.00850.56 C ATOM 39205 O4* A B1873 -819.614 -3.222 88.011 1.00850.56 O ATOM 39206 C3* A B1873 -819.033 -5.498 87.947 1.00850.56 C ATOM 39207 O3* A B1873 -818.462 -6.511 88.763 1.00850.56 O ATOM 39208 C2* A B1873 -820.546 -5.415 88.106 1.00850.56 C ATOM 39209 O2* A B1873 -820.971 -5.706 89.422 1.00850.56 O ATOM 39210 C1* A B1873 -820.815 -3.941 87.794 1.00850.56 C ATOM 39211 N9 A B1873 -821.234 -3.711 86.412 1.00850.56 N ATOM 39212 C8 A B1873 -820.729 -2.797 85.523 1.00850.56 C ATOM 39213 N7 A B1873 -821.317 -2.814 84.351 1.00850.56 N ATOM 39214 C5 A B1873 -822.276 -3.807 84.476 1.00850.56 C ATOM 39215 C6 A B1873 -823.234 -4.313 83.582 1.00850.56 C ATOM 39216 N6 A B1873 -823.392 -3.865 82.335 1.00850.56 N ATOM 39217 N1 A B1873 -824.034 -5.309 84.015 1.00850.56 N ATOM 39218 C2 A B1873 -823.878 -5.759 85.268 1.00850.56 C ATOM 39219 N3 A B1873 -823.014 -5.363 86.202 1.00850.56 N ATOM 39220 C4 A B1873 -822.234 -4.372 85.738 1.00850.56 C ATOM 39221 P G B1874 -817.283 -7.431 88.172 1.00850.56 P ATOM 39222 O1P G B1874 -816.279 -7.617 89.252 1.00850.56 O ATOM 39223 O2P G B1874 -816.860 -6.870 86.866 1.00850.56 O ATOM 39224 O5* G B1874 -817.995 -8.833 87.909 1.00850.56 O ATOM 39225 C5* G B1874 -817.837 -9.510 86.666 1.00850.56 C ATOM 39226 C4* G B1874 -819.168 -9.645 85.969 1.00850.56 C ATOM 39227 O4* G B1874 -819.871 -8.371 85.981 1.00850.56 O ATOM 39228 C3* G B1874 -819.084 -10.021 84.513 1.00850.56 C ATOM 39229 O3* G B1874 -818.974 -11.433 84.407 1.00850.56 O ATOM 39230 C2* G B1874 -820.391 -9.481 83.934 1.00850.56 C ATOM 39231 O2* G B1874 -821.472 -10.367 84.122 1.00850.56 O ATOM 39232 C1* G B1874 -820.606 -8.217 84.774 1.00850.56 C ATOM 39233 N9 G B1874 -820.131 -7.008 84.104 1.00850.56 N ATOM 39234 C8 G B1874 -819.125 -6.174 84.529 1.00850.56 C ATOM 39235 N7 G B1874 -818.909 -5.175 83.717 1.00850.56 N ATOM 39236 C5 G B1874 -819.831 -5.354 82.692 1.00850.56 C ATOM 39237 C6 G B1874 -820.069 -4.577 81.515 1.00850.56 C ATOM 39238 O6 G B1874 -819.493 -3.550 81.137 1.00850.56 O ATOM 39239 N1 G B1874 -821.096 -5.113 80.745 1.00850.56 N ATOM 39240 C2 G B1874 -821.810 -6.245 81.069 1.00850.56 C ATOM 39241 N2 G B1874 -822.779 -6.600 80.212 1.00850.56 N ATOM 39242 N3 G B1874 -821.596 -6.978 82.158 1.00850.56 N ATOM 39243 C4 G B1874 -820.599 -6.476 82.916 1.00850.56 C ATOM 39244 P C B1875 -817.616 -12.076 83.836 1.00850.56 P ATOM 39245 O1P C B1875 -817.533 -13.470 84.342 1.00850.56 O ATOM 39246 O2P C B1875 -816.503 -11.130 84.107 1.00850.56 O ATOM 39247 O5* C B1875 -817.859 -12.132 82.262 1.00850.56 O ATOM 39248 C5* C B1875 -818.812 -13.028 81.707 1.00850.56 C ATOM 39249 C4* C B1875 -819.040 -12.720 80.248 1.00850.56 C ATOM 39250 O4* C B1875 -819.732 -11.454 80.097 1.00850.56 O ATOM 39251 C3* C B1875 -817.754 -12.583 79.441 1.00850.56 C ATOM 39252 O3* C B1875 -817.305 -13.845 78.966 1.00850.56 O ATOM 39253 C2* C B1875 -818.164 -11.653 78.306 1.00850.56 C ATOM 39254 O2* C B1875 -818.779 -12.342 77.237 1.00850.56 O ATOM 39255 C1* C B1875 -819.202 -10.754 78.987 1.00850.56 C ATOM 39256 N1 C B1875 -818.654 -9.469 79.451 1.00850.56 N ATOM 39257 C2 C B1875 -818.391 -8.471 78.508 1.00850.56 C ATOM 39258 O2 C B1875 -818.638 -8.693 77.314 1.00850.56 O ATOM 39259 N3 C B1875 -817.878 -7.288 78.918 1.00850.56 N ATOM 39260 C4 C B1875 -817.627 -7.083 80.213 1.00850.56 C ATOM 39261 N4 C B1875 -817.113 -5.904 80.570 1.00850.56 N ATOM 39262 C5 C B1875 -817.889 -8.081 81.198 1.00850.56 C ATOM 39263 C6 C B1875 -818.399 -9.249 80.776 1.00850.56 C ATOM 39264 P C B1876 -815.797 -14.314 79.258 1.00850.56 P ATOM 39265 O1P C B1876 -815.640 -15.685 78.714 1.00850.56 O ATOM 39266 O2P C B1876 -815.498 -14.056 80.693 1.00850.56 O ATOM 39267 O5* C B1876 -814.911 -13.323 78.379 1.00850.56 O ATOM 39268 C5* C B1876 -814.779 -13.525 76.976 1.00850.56 C ATOM 39269 C4* C B1876 -813.408 -13.095 76.513 1.00850.56 C ATOM 39270 O4* C B1876 -813.316 -11.647 76.548 1.00850.56 O ATOM 39271 C3* C B1876 -812.223 -13.548 77.355 1.00850.56 C ATOM 39272 O3* C B1876 -811.817 -14.880 77.065 1.00850.56 O ATOM 39273 C2* C B1876 -811.146 -12.530 76.991 1.00850.56 C ATOM 39274 O2* C B1876 -810.472 -12.855 75.791 1.00850.56 O ATOM 39275 C1* C B1876 -811.976 -11.259 76.787 1.00850.56 C ATOM 39276 N1 C B1876 -811.949 -10.370 77.956 1.00850.56 N ATOM 39277 C2 C B1876 -810.972 -9.371 78.022 1.00850.56 C ATOM 39278 O2 C B1876 -810.166 -9.261 77.087 1.00850.56 O ATOM 39279 N3 C B1876 -810.934 -8.552 79.099 1.00850.56 N ATOM 39280 C4 C B1876 -811.822 -8.704 80.083 1.00850.56 C ATOM 39281 N4 C B1876 -811.741 -7.877 81.129 1.00850.56 N ATOM 39282 C5 C B1876 -812.829 -9.711 80.044 1.00850.56 C ATOM 39283 C6 C B1876 -812.857 -10.513 78.971 1.00850.56 C ATOM 39284 P C B1877 -811.249 -15.809 78.247 1.00850.56 P ATOM 39285 O1P C B1877 -810.950 -17.141 77.666 1.00850.56 O ATOM 39286 O2P C B1877 -812.171 -15.704 79.406 1.00850.56 O ATOM 39287 O5* C B1877 -809.870 -15.115 78.641 1.00850.56 O ATOM 39288 C5* C B1877 -808.876 -14.856 77.659 1.00850.56 C ATOM 39289 C4* C B1877 -807.917 -13.796 78.139 1.00850.56 C ATOM 39290 O4* C B1877 -808.642 -12.615 78.570 1.00850.56 O ATOM 39291 C3* C B1877 -807.043 -14.168 79.328 1.00850.56 C ATOM 39292 O3* C B1877 -805.897 -14.895 78.907 1.00850.56 O ATOM 39293 C2* C B1877 -806.674 -12.805 79.909 1.00850.56 C ATOM 39294 O2* C B1877 -805.574 -12.215 79.249 1.00850.56 O ATOM 39295 C1* C B1877 -807.934 -11.983 79.625 1.00850.56 C ATOM 39296 N1 C B1877 -808.831 -11.844 80.787 1.00850.56 N ATOM 39297 C2 C B1877 -808.533 -10.876 81.757 1.00850.56 C ATOM 39298 O2 C B1877 -807.521 -10.175 81.614 1.00850.56 O ATOM 39299 N3 C B1877 -809.350 -10.732 82.822 1.00850.56 N ATOM 39300 C4 C B1877 -810.432 -11.507 82.946 1.00850.56 C ATOM 39301 N4 C B1877 -811.212 -11.325 84.013 1.00850.56 N ATOM 39302 C5 C B1877 -810.759 -12.503 81.974 1.00850.56 C ATOM 39303 C6 C B1877 -809.938 -12.636 80.920 1.00850.56 C ATOM 39304 P C B1878 -805.191 -15.921 79.920 1.00850.56 P ATOM 39305 O1P C B1878 -804.188 -16.695 79.142 1.00850.56 O ATOM 39306 O2P C B1878 -806.251 -16.639 80.670 1.00850.56 O ATOM 39307 O5* C B1878 -804.413 -14.970 80.932 1.00850.56 O ATOM 39308 C5* C B1878 -803.432 -14.055 80.454 1.00850.56 C ATOM 39309 C4* C B1878 -803.212 -12.946 81.450 1.00850.56 C ATOM 39310 O4* C B1878 -804.433 -12.180 81.638 1.00850.56 O ATOM 39311 C3* C B1878 -802.846 -13.430 82.843 1.00850.56 C ATOM 39312 O3* C B1878 -801.461 -13.714 82.982 1.00850.56 O ATOM 39313 C2* C B1878 -803.287 -12.271 83.727 1.00850.56 C ATOM 39314 O2* C B1878 -802.328 -11.234 83.784 1.00850.56 O ATOM 39315 C1* C B1878 -804.533 -11.771 82.994 1.00850.56 C ATOM 39316 N1 C B1878 -805.777 -12.319 83.562 1.00850.56 N ATOM 39317 C2 C B1878 -806.447 -11.585 84.548 1.00850.56 C ATOM 39318 O2 C B1878 -805.988 -10.488 84.899 1.00850.56 O ATOM 39319 N3 C B1878 -807.579 -12.085 85.095 1.00850.56 N ATOM 39320 C4 C B1878 -808.042 -13.274 84.693 1.00850.56 C ATOM 39321 N4 C B1878 -809.158 -13.731 85.267 1.00850.56 N ATOM 39322 C5 C B1878 -807.384 -14.041 83.689 1.00850.56 C ATOM 39323 C6 C B1878 -806.266 -13.528 83.152 1.00850.56 C ATOM 39324 P G B1879 -800.996 -15.192 83.409 1.00850.56 P ATOM 39325 O1P G B1879 -799.637 -15.410 82.855 1.00850.56 O ATOM 39326 O2P G B1879 -802.089 -16.137 83.063 1.00850.56 O ATOM 39327 O5* G B1879 -800.883 -15.116 84.995 1.00850.56 O ATOM 39328 C5* G B1879 -801.715 -14.227 85.733 1.00850.56 C ATOM 39329 C4* G B1879 -801.845 -14.676 87.173 1.00850.56 C ATOM 39330 O4* G B1879 -802.710 -13.779 87.912 1.00850.56 O ATOM 39331 C3* G B1879 -802.432 -16.090 87.392 1.00850.56 C ATOM 39332 O3* G B1879 -801.540 -17.195 87.274 1.00850.56 O ATOM 39333 C2* G B1879 -802.982 -15.974 88.813 1.00850.56 C ATOM 39334 O2* G B1879 -801.980 -16.152 89.795 1.00850.56 O ATOM 39335 C1* G B1879 -803.467 -14.522 88.851 1.00850.56 C ATOM 39336 N9 G B1879 -804.889 -14.384 88.545 1.00850.56 N ATOM 39337 C8 G B1879 -805.471 -14.233 87.310 1.00850.56 C ATOM 39338 N7 G B1879 -806.772 -14.139 87.364 1.00850.56 N ATOM 39339 C5 G B1879 -807.068 -14.233 88.718 1.00850.56 C ATOM 39340 C6 G B1879 -808.318 -14.197 89.397 1.00850.56 C ATOM 39341 O6 G B1879 -809.449 -14.071 88.919 1.00850.56 O ATOM 39342 N1 G B1879 -808.158 -14.323 90.771 1.00850.56 N ATOM 39343 C2 G B1879 -806.960 -14.473 91.417 1.00850.56 C ATOM 39344 N2 G B1879 -807.020 -14.586 92.757 1.00850.56 N ATOM 39345 N3 G B1879 -805.786 -14.510 90.800 1.00850.56 N ATOM 39346 C4 G B1879 -805.916 -14.385 89.460 1.00850.56 C ATOM 39347 P G B1880 -802.125 -18.683 87.135 1.00850.56 P ATOM 39348 O1P G B1880 -801.000 -19.559 86.719 1.00850.56 O ATOM 39349 O2P G B1880 -803.356 -18.629 86.306 1.00850.56 O ATOM 39350 O5* G B1880 -802.537 -19.084 88.622 1.00850.56 O ATOM 39351 C5* G B1880 -801.562 -19.146 89.656 1.00850.56 C ATOM 39352 C4* G B1880 -802.218 -19.076 91.021 1.00850.56 C ATOM 39353 O4* G B1880 -803.065 -17.899 91.101 1.00850.56 O ATOM 39354 C3* G B1880 -803.132 -20.249 91.360 1.00850.56 C ATOM 39355 O3* G B1880 -802.427 -21.353 91.911 1.00850.56 O ATOM 39356 C2* G B1880 -804.091 -19.635 92.374 1.00850.56 C ATOM 39357 O2* G B1880 -803.554 -19.605 93.679 1.00850.56 O ATOM 39358 C1* G B1880 -804.230 -18.205 91.850 1.00850.56 C ATOM 39359 N9 G B1880 -805.393 -18.039 90.989 1.00850.56 N ATOM 39360 C8 G B1880 -805.416 -18.016 89.617 1.00850.56 C ATOM 39361 N7 G B1880 -806.615 -17.857 89.124 1.00850.56 N ATOM 39362 C5 G B1880 -807.437 -17.768 90.242 1.00850.56 C ATOM 39363 C6 G B1880 -808.846 -17.592 90.337 1.00850.56 C ATOM 39364 O6 G B1880 -809.674 -17.472 89.427 1.00850.56 O ATOM 39365 N1 G B1880 -809.265 -17.554 91.663 1.00850.56 N ATOM 39366 C2 G B1880 -808.445 -17.675 92.755 1.00850.56 C ATOM 39367 N2 G B1880 -809.048 -17.616 93.952 1.00850.56 N ATOM 39368 N3 G B1880 -807.131 -17.841 92.681 1.00850.56 N ATOM 39369 C4 G B1880 -806.702 -17.876 91.401 1.00850.56 C ATOM 39370 P U B1881 -803.005 -22.843 91.707 1.00850.56 P ATOM 39371 O1P U B1881 -802.036 -23.778 92.338 1.00850.56 O ATOM 39372 O2P U B1881 -803.356 -23.010 90.276 1.00850.56 O ATOM 39373 O5* U B1881 -804.352 -22.861 92.562 1.00850.56 O ATOM 39374 C5* U B1881 -804.338 -22.554 93.956 1.00850.56 C ATOM 39375 C4* U B1881 -805.728 -22.196 94.443 1.00850.56 C ATOM 39376 O4* U B1881 -806.226 -21.012 93.760 1.00850.56 O ATOM 39377 C3* U B1881 -806.736 -23.296 94.153 1.00850.56 C ATOM 39378 O3* U B1881 -806.790 -24.231 95.230 1.00850.56 O ATOM 39379 C2* U B1881 -808.051 -22.523 94.026 1.00850.56 C ATOM 39380 O2* U B1881 -808.636 -22.266 95.287 1.00850.56 O ATOM 39381 C1* U B1881 -807.592 -21.197 93.409 1.00850.56 C ATOM 39382 N1 U B1881 -807.704 -21.152 91.937 1.00850.56 N ATOM 39383 C2 U B1881 -808.935 -20.834 91.343 1.00850.56 C ATOM 39384 O2 U B1881 -809.953 -20.570 91.958 1.00850.56 O ATOM 39385 N3 U B1881 -808.933 -20.830 89.975 1.00850.56 N ATOM 39386 C4 U B1881 -807.873 -21.103 89.150 1.00850.56 C ATOM 39387 O4 U B1881 -808.040 -21.064 87.932 1.00850.56 O ATOM 39388 C5 U B1881 -806.648 -21.414 89.821 1.00850.56 C ATOM 39389 C6 U B1881 -806.607 -21.430 91.158 1.00850.56 C ATOM 39390 P G B1882 -806.187 -25.712 95.034 1.00850.56 P ATOM 39391 O1P G B1882 -804.711 -25.587 94.910 1.00850.56 O ATOM 39392 O2P G B1882 -806.958 -26.387 93.961 1.00850.56 O ATOM 39393 O5* G B1882 -806.502 -26.453 96.409 1.00850.56 O ATOM 39394 C5* G B1882 -807.826 -26.513 96.932 1.00850.56 C ATOM 39395 C4* G B1882 -808.407 -27.890 96.707 1.00850.56 C ATOM 39396 O4* G B1882 -808.367 -28.185 95.287 1.00850.56 O ATOM 39397 C3* G B1882 -807.667 -29.043 97.359 1.00850.56 C ATOM 39398 O3* G B1882 -808.089 -29.235 98.705 1.00850.56 O ATOM 39399 C2* G B1882 -808.017 -30.226 96.466 1.00850.56 C ATOM 39400 O2* G B1882 -809.267 -30.803 96.791 1.00850.56 O ATOM 39401 C1* G B1882 -808.097 -29.561 95.090 1.00850.56 C ATOM 39402 N9 G B1882 -806.841 -29.666 94.353 1.00850.56 N ATOM 39403 C8 G B1882 -805.644 -30.141 94.831 1.00850.56 C ATOM 39404 N7 G B1882 -804.695 -30.128 93.939 1.00850.56 N ATOM 39405 C5 G B1882 -805.296 -29.610 92.802 1.00850.56 C ATOM 39406 C6 G B1882 -804.761 -29.359 91.515 1.00850.56 C ATOM 39407 O6 G B1882 -803.613 -29.557 91.104 1.00850.56 O ATOM 39408 N1 G B1882 -805.720 -28.826 90.660 1.00850.56 N ATOM 39409 C2 G B1882 -807.025 -28.564 90.999 1.00850.56 C ATOM 39410 N2 G B1882 -807.793 -28.044 90.033 1.00850.56 N ATOM 39411 N3 G B1882 -807.536 -28.796 92.194 1.00850.56 N ATOM 39412 C4 G B1882 -806.622 -29.315 93.042 1.00850.56 C ATOM 39413 P A B1883 -807.160 -30.068 99.720 1.00850.56 P ATOM 39414 O1P A B1883 -806.672 -29.126 100.759 1.00850.56 O ATOM 39415 O2P A B1883 -806.183 -30.849 98.917 1.00850.56 O ATOM 39416 O5* A B1883 -808.172 -31.092 100.406 1.00850.56 O ATOM 39417 C5* A B1883 -809.112 -31.817 99.621 1.00850.56 C ATOM 39418 C4* A B1883 -810.286 -32.244 100.468 1.00850.56 C ATOM 39419 O4* A B1883 -809.896 -33.314 101.364 1.00850.56 O ATOM 39420 C3* A B1883 -810.853 -31.139 101.363 1.00850.56 C ATOM 39421 O3* A B1883 -811.826 -30.337 100.697 1.00850.56 O ATOM 39422 C2* A B1883 -811.470 -31.925 102.516 1.00850.56 C ATOM 39423 O2* A B1883 -812.779 -32.372 102.233 1.00850.56 O ATOM 39424 C1* A B1883 -810.536 -33.137 102.615 1.00850.56 C ATOM 39425 N9 A B1883 -809.518 -33.032 103.661 1.00850.56 N ATOM 39426 C8 A B1883 -808.189 -32.706 103.548 1.00850.56 C ATOM 39427 N7 A B1883 -807.550 -32.703 104.695 1.00850.56 N ATOM 39428 C5 A B1883 -808.521 -33.056 105.623 1.00850.56 C ATOM 39429 C6 A B1883 -808.483 -33.229 107.018 1.00850.56 C ATOM 39430 N6 A B1883 -807.384 -33.067 107.758 1.00850.56 N ATOM 39431 N1 A B1883 -809.631 -33.580 107.636 1.00850.56 N ATOM 39432 C2 A B1883 -810.735 -33.741 106.896 1.00850.56 C ATOM 39433 N3 A B1883 -810.898 -33.605 105.583 1.00850.56 N ATOM 39434 C4 A B1883 -809.740 -33.258 104.999 1.00850.56 C ATOM 39435 P A B1884 -811.676 -28.738 100.696 1.00850.56 P ATOM 39436 O1P A B1884 -810.234 -28.415 100.823 1.00850.56 O ATOM 39437 O2P A B1884 -812.642 -28.179 101.679 1.00850.56 O ATOM 39438 O5* A B1884 -812.151 -28.311 99.239 1.00850.56 O ATOM 39439 C5* A B1884 -812.061 -29.229 98.151 1.00850.56 C ATOM 39440 C4* A B1884 -813.331 -29.195 97.337 1.00850.56 C ATOM 39441 O4* A B1884 -813.523 -27.875 96.767 1.00850.56 O ATOM 39442 C3* A B1884 -813.425 -30.126 96.137 1.00850.56 C ATOM 39443 O3* A B1884 -813.779 -31.453 96.503 1.00850.56 O ATOM 39444 C2* A B1884 -814.500 -29.466 95.288 1.00850.56 C ATOM 39445 O2* A B1884 -815.781 -29.820 95.744 1.00850.56 O ATOM 39446 C1* A B1884 -814.244 -27.981 95.551 1.00850.56 C ATOM 39447 N9 A B1884 -813.455 -27.360 94.491 1.00850.56 N ATOM 39448 C8 A B1884 -812.090 -27.373 94.334 1.00850.56 C ATOM 39449 N7 A B1884 -811.673 -26.739 93.265 1.00850.56 N ATOM 39450 C5 A B1884 -812.840 -26.273 92.677 1.00850.56 C ATOM 39451 C6 A B1884 -813.079 -25.528 91.510 1.00850.56 C ATOM 39452 N6 A B1884 -812.115 -25.107 90.689 1.00850.56 N ATOM 39453 N1 A B1884 -814.364 -25.231 91.209 1.00850.56 N ATOM 39454 C2 A B1884 -815.328 -25.656 92.032 1.00850.56 C ATOM 39455 N3 A B1884 -815.233 -26.365 93.152 1.00850.56 N ATOM 39456 C4 A B1884 -813.947 -26.644 93.426 1.00850.56 C ATOM 39457 P C B1885 -813.432 -32.670 95.512 1.00850.56 P ATOM 39458 O1P C B1885 -813.803 -33.930 96.207 1.00850.56 O ATOM 39459 O2P C B1885 -812.042 -32.483 95.022 1.00850.56 O ATOM 39460 O5* C B1885 -814.425 -32.464 94.287 1.00850.56 O ATOM 39461 C5* C B1885 -815.838 -32.513 94.470 1.00850.56 C ATOM 39462 C4* C B1885 -816.540 -31.981 93.245 1.00850.56 C ATOM 39463 O4* C B1885 -816.087 -30.628 92.972 1.00850.56 O ATOM 39464 C3* C B1885 -816.269 -32.692 91.945 1.00850.56 C ATOM 39465 O3* C B1885 -817.077 -33.859 91.878 1.00850.56 O ATOM 39466 C2* C B1885 -816.630 -31.650 90.896 1.00850.56 C ATOM 39467 O2* C B1885 -818.020 -31.590 90.641 1.00850.56 O ATOM 39468 C1* C B1885 -816.171 -30.365 91.582 1.00850.56 C ATOM 39469 N1 C B1885 -814.830 -29.964 91.119 1.00850.56 N ATOM 39470 C2 C B1885 -814.711 -29.223 89.936 1.00850.56 C ATOM 39471 O2 C B1885 -815.739 -28.891 89.327 1.00850.56 O ATOM 39472 N3 C B1885 -813.478 -28.888 89.490 1.00850.56 N ATOM 39473 C4 C B1885 -812.395 -29.260 90.178 1.00850.56 C ATOM 39474 N4 C B1885 -811.200 -28.918 89.697 1.00850.56 N ATOM 39475 C5 C B1885 -812.491 -29.999 91.394 1.00850.56 C ATOM 39476 C6 C B1885 -813.717 -30.326 91.821 1.00850.56 C ATOM 39477 P G B1886 -816.376 -35.287 91.654 1.00850.56 P ATOM 39478 O1P G B1886 -817.452 -36.270 91.378 1.00850.56 O ATOM 39479 O2P G B1886 -815.444 -35.524 92.787 1.00850.56 O ATOM 39480 O5* G B1886 -815.516 -35.094 90.327 1.00850.56 O ATOM 39481 C5* G B1886 -816.158 -35.002 89.062 1.00850.56 C ATOM 39482 C4* G B1886 -815.150 -34.918 87.934 1.00850.56 C ATOM 39483 O4* G B1886 -814.519 -33.608 87.905 1.00850.56 O ATOM 39484 C3* G B1886 -813.982 -35.894 87.955 1.00850.56 C ATOM 39485 O3* G B1886 -814.326 -37.172 87.429 1.00850.56 O ATOM 39486 C2* G B1886 -812.977 -35.206 87.033 1.00850.56 C ATOM 39487 O2* G B1886 -813.230 -35.473 85.668 1.00850.56 O ATOM 39488 C1* G B1886 -813.237 -33.725 87.318 1.00850.56 C ATOM 39489 N9 G B1886 -812.227 -33.160 88.208 1.00850.56 N ATOM 39490 C8 G B1886 -812.157 -33.236 89.578 1.00850.56 C ATOM 39491 N7 G B1886 -811.094 -32.656 90.069 1.00850.56 N ATOM 39492 C5 G B1886 -810.429 -32.159 88.955 1.00850.56 C ATOM 39493 C6 G B1886 -809.202 -31.439 88.851 1.00850.56 C ATOM 39494 O6 G B1886 -808.427 -31.087 89.752 1.00850.56 O ATOM 39495 N1 G B1886 -808.901 -31.134 87.528 1.00850.56 N ATOM 39496 C2 G B1886 -809.672 -31.472 86.443 1.00850.56 C ATOM 39497 N2 G B1886 -809.219 -31.081 85.244 1.00850.56 N ATOM 39498 N3 G B1886 -810.806 -32.147 86.523 1.00850.56 N ATOM 39499 C4 G B1886 -811.118 -32.456 87.801 1.00850.56 C ATOM 39500 P G B1887 -813.462 -38.463 87.852 1.00850.56 P ATOM 39501 O1P G B1887 -814.397 -39.615 87.939 1.00850.56 O ATOM 39502 O2P G B1887 -812.645 -38.093 89.037 1.00850.56 O ATOM 39503 O5* G B1887 -812.467 -38.714 86.631 1.00850.56 O ATOM 39504 C5* G B1887 -812.845 -38.389 85.290 1.00850.56 C ATOM 39505 C4* G B1887 -811.645 -37.902 84.497 1.00850.56 C ATOM 39506 O4* G B1887 -811.069 -36.766 85.192 1.00850.56 O ATOM 39507 C3* G B1887 -810.495 -38.899 84.356 1.00850.56 C ATOM 39508 O3* G B1887 -810.648 -39.740 83.202 1.00850.56 O ATOM 39509 C2* G B1887 -809.280 -37.987 84.190 1.00850.56 C ATOM 39510 O2* G B1887 -809.113 -37.573 82.849 1.00850.56 O ATOM 39511 C1* G B1887 -809.662 -36.774 85.045 1.00850.56 C ATOM 39512 N9 G B1887 -809.066 -36.782 86.377 1.00850.56 N ATOM 39513 C8 G B1887 -809.726 -36.653 87.574 1.00850.56 C ATOM 39514 N7 G B1887 -808.927 -36.690 88.606 1.00850.56 N ATOM 39515 C5 G B1887 -807.660 -36.853 88.056 1.00850.56 C ATOM 39516 C6 G B1887 -806.393 -36.959 88.683 1.00850.56 C ATOM 39517 O6 G B1887 -806.123 -36.930 89.891 1.00850.56 O ATOM 39518 N1 G B1887 -805.373 -37.117 87.747 1.00850.56 N ATOM 39519 C2 G B1887 -805.548 -37.163 86.390 1.00850.56 C ATOM 39520 N2 G B1887 -804.438 -37.322 85.654 1.00850.56 N ATOM 39521 N3 G B1887 -806.727 -37.064 85.791 1.00850.56 N ATOM 39522 C4 G B1887 -807.731 -36.911 86.682 1.00850.56 C ATOM 39523 P C B1888 -809.978 -40.641 83.862 1.00852.01 P ATOM 39524 O1P C B1888 -810.576 -41.274 82.665 1.00852.01 O ATOM 39525 O2P C B1888 -810.300 -41.167 85.210 1.00852.01 O ATOM 39526 O5* C B1888 -808.392 -40.672 83.642 1.00852.01 O ATOM 39527 C5* C B1888 -807.543 -41.631 84.334 1.00852.01 C ATOM 39528 C4* C B1888 -806.295 -40.944 84.881 1.00852.01 C ATOM 39529 O4* C B1888 -806.803 -40.038 85.901 1.00852.01 O ATOM 39530 C3* C B1888 -805.210 -41.870 85.545 1.00852.01 C ATOM 39531 O3* C B1888 -804.109 -42.303 84.548 1.00852.01 O ATOM 39532 C2* C B1888 -804.726 -40.939 86.708 1.00852.01 C ATOM 39533 O2* C B1888 -803.608 -40.152 86.355 1.00852.01 O ATOM 39534 C1* C B1888 -805.904 -39.952 86.964 1.00852.01 C ATOM 39535 N1 C B1888 -806.709 -39.766 88.234 1.00852.01 N ATOM 39536 C2 C B1888 -806.068 -39.704 89.508 1.00852.01 C ATOM 39537 O2 C B1888 -804.843 -39.875 89.588 1.00852.01 O ATOM 39538 N3 C B1888 -806.815 -39.458 90.618 1.00852.01 N ATOM 39539 C4 C B1888 -808.138 -39.277 90.512 1.00852.01 C ATOM 39540 N4 C B1888 -808.828 -39.021 91.633 1.00852.01 N ATOM 39541 C5 C B1888 -808.811 -39.347 89.256 1.00852.01 C ATOM 39542 C6 C B1888 -808.068 -39.600 88.157 1.00852.01 C ATOM 39543 P G B1889 -804.556 -42.519 84.812 1.00852.01 P ATOM 39544 O1P G B1889 -805.223 -43.566 85.642 1.00852.01 O ATOM 39545 O2P G B1889 -803.129 -42.726 84.410 1.00852.01 O ATOM 39546 O5* G B1889 -805.344 -42.639 83.381 1.00852.01 O ATOM 39547 C5* G B1889 -804.895 -43.492 82.231 1.00852.01 C ATOM 39548 C4* G B1889 -805.722 -43.200 80.930 1.00852.01 C ATOM 39549 O4* G B1889 -805.762 -41.756 80.720 1.00852.01 O ATOM 39550 C3* G B1889 -805.105 -43.753 79.624 1.00852.01 C ATOM 39551 O3* G B1889 -805.577 -45.042 79.196 1.00852.01 O ATOM 39552 C2* G B1889 -805.591 -42.772 78.561 1.00852.01 C ATOM 39553 O2* G B1889 -806.872 -43.091 78.051 1.00852.01 O ATOM 39554 C1* G B1889 -805.640 -41.461 79.333 1.00852.01 C ATOM 39555 N9 G B1889 -804.416 -40.702 79.095 1.00852.01 N ATOM 39556 C8 G B1889 -803.377 -40.505 79.971 1.00852.01 C ATOM 39557 N7 G B1889 -802.404 -39.798 79.458 1.00852.01 N ATOM 39558 C5 G B1889 -802.832 -39.506 78.169 1.00852.01 C ATOM 39559 C6 G B1889 -802.201 -38.770 77.134 1.00852.01 C ATOM 39560 O6 G B1889 -801.108 -38.195 77.154 1.00852.01 O ATOM 39561 N1 G B1889 -802.980 -38.736 75.981 1.00852.01 N ATOM 39562 C2 G B1889 -804.209 -39.332 75.840 1.00852.01 C ATOM 39563 N2 G B1889 -804.802 -39.189 74.644 1.00852.01 N ATOM 39564 N3 G B1889 -804.811 -40.017 76.799 1.00852.01 N ATOM 39565 C4 G B1889 -804.073 -40.063 77.929 1.00852.01 C ATOM 39566 P G B1890 -804.503 -46.247 78.920 1.00852.01 P ATOM 39567 O1P G B1890 -804.923 -47.414 79.741 1.00852.01 O ATOM 39568 O2P G B1890 -803.130 -45.707 79.075 1.00852.01 O ATOM 39569 O5* G B1890 -804.662 -46.680 77.383 1.00852.01 O ATOM 39570 C5* G B1890 -805.887 -46.449 76.662 1.00852.01 C ATOM 39571 C4* G B1890 -805.638 -45.666 75.371 1.00852.01 C ATOM 39572 O4* G B1890 -805.023 -44.385 75.673 1.00852.01 O ATOM 39573 C3* G B1890 -804.681 -46.316 74.380 1.00852.01 C ATOM 39574 O3* G B1890 -805.362 -47.239 73.531 1.00852.01 O ATOM 39575 C2* G B1890 -804.171 -45.128 73.568 1.00852.01 C ATOM 39576 O2* G B1890 -805.035 -44.772 72.506 1.00852.01 O ATOM 39577 C1* G B1890 -804.157 -44.009 74.610 1.00852.01 C ATOM 39578 N9 G B1890 -802.823 -43.762 75.150 1.00852.01 N ATOM 39579 C8 G B1890 -802.380 -44.003 76.427 1.00852.01 C ATOM 39580 N7 G B1890 -801.123 -43.692 76.607 1.00852.01 N ATOM 39581 C5 G B1890 -800.708 -43.211 75.369 1.00852.01 C ATOM 39582 C6 G B1890 -799.431 -42.717 74.939 1.00852.01 C ATOM 39583 O6 G B1890 -798.376 -42.601 75.583 1.00852.01 O ATOM 39584 N1 G B1890 -799.457 -42.338 73.602 1.00852.01 N ATOM 39585 C2 G B1890 -800.554 -42.416 72.779 1.00852.01 C ATOM 39586 N2 G B1890 -800.375 -41.995 71.519 1.00852.01 N ATOM 39587 N3 G B1890 -801.740 -42.870 73.163 1.00852.01 N ATOM 39588 C4 G B1890 -801.744 -43.245 74.460 1.00852.01 C ATOM 39589 P C B1891 -804.784 -48.730 73.346 1.00852.01 P ATOM 39590 O1P C B1891 -805.831 -49.535 72.669 1.00852.01 O ATOM 39591 O2P C B1891 -804.241 -49.181 74.653 1.00852.01 O ATOM 39592 O5* C B1891 -803.561 -48.567 72.331 1.00852.01 O ATOM 39593 C5* C B1891 -803.763 -48.597 70.920 1.00852.01 C ATOM 39594 C4* C B1891 -802.479 -48.259 70.199 1.00852.01 C ATOM 39595 O4* C B1891 -801.962 -46.996 70.699 1.00852.01 O ATOM 39596 C3* C B1891 -801.290 -49.207 70.310 1.00852.01 C ATOM 39597 O3* C B1891 -801.376 -50.299 69.402 1.00852.01 O ATOM 39598 C2* C B1891 -800.100 -48.312 69.986 1.00852.01 C ATOM 39599 O2* C B1891 -799.854 -48.233 68.597 1.00852.01 O ATOM 39600 C1* C B1891 -800.554 -46.958 70.535 1.00852.01 C ATOM 39601 N1 C B1891 -799.941 -46.627 71.827 1.00852.01 N ATOM 39602 C2 C B1891 -799.324 -45.383 71.985 1.00852.01 C ATOM 39603 O2 C B1891 -799.327 -44.590 71.031 1.00852.01 O ATOM 39604 N3 C B1891 -798.744 -45.074 73.164 1.00852.01 N ATOM 39605 C4 C B1891 -798.765 -45.956 74.166 1.00852.01 C ATOM 39606 N4 C B1891 -798.170 -45.613 75.313 1.00852.01 N ATOM 39607 C5 C B1891 -799.396 -47.230 74.039 1.00852.01 C ATOM 39608 C6 C B1891 -799.966 -47.520 72.865 1.00852.01 C ATOM 39609 P C B1892 -800.273 -51.467 69.453 1.00852.01 P ATOM 39610 O1P C B1892 -800.743 -52.558 68.564 1.00852.01 O ATOM 39611 O2P C B1892 -799.973 -51.759 70.877 1.00852.01 O ATOM 39612 O5* C B1892 -798.981 -50.814 68.791 1.00852.01 O ATOM 39613 C5* C B1892 -798.580 -51.173 67.474 1.00852.01 C ATOM 39614 C4* C B1892 -797.080 -51.071 67.333 1.00852.01 C ATOM 39615 O4* C B1892 -796.649 -49.726 67.658 1.00852.01 O ATOM 39616 C3* C B1892 -796.313 -51.983 68.287 1.00852.01 C ATOM 39617 O3* C B1892 -796.111 -53.303 67.794 1.00852.01 O ATOM 39618 C2* C B1892 -794.993 -51.241 68.466 1.00852.01 C ATOM 39619 O2* C B1892 -794.076 -51.506 67.423 1.00852.01 O ATOM 39620 C1* C B1892 -795.439 -49.780 68.391 1.00852.01 C ATOM 39621 N1 C B1892 -795.676 -49.174 69.709 1.00852.01 N ATOM 39622 C2 C B1892 -794.843 -48.137 70.138 1.00852.01 C ATOM 39623 O2 C B1892 -793.930 -47.754 69.393 1.00852.01 O ATOM 39624 N3 C B1892 -795.057 -47.577 71.350 1.00852.01 N ATOM 39625 C4 C B1892 -796.054 -48.016 72.122 1.00852.01 C ATOM 39626 N4 C B1892 -796.225 -47.438 73.313 1.00852.01 N ATOM 39627 C5 C B1892 -796.916 -49.075 71.710 1.00852.01 C ATOM 39628 C6 C B1892 -796.695 -49.618 70.511 1.00852.01 C ATOM 39629 P G B1893 -796.083 -54.538 68.821 1.00852.01 P ATOM 39630 O1P G B1893 -796.432 -55.762 68.056 1.00852.01 O ATOM 39631 O2P G B1893 -796.885 -54.164 70.013 1.00852.01 O ATOM 39632 O5* G B1893 -794.554 -54.639 69.257 1.00852.01 O ATOM 39633 C5* G B1893 -793.527 -54.828 68.286 1.00852.01 C ATOM 39634 C4* G B1893 -792.229 -54.235 68.779 1.00852.01 C ATOM 39635 O4* G B1893 -792.476 -52.932 69.368 1.00852.01 O ATOM 39636 C3* G B1893 -791.445 -54.988 69.855 1.00852.01 C ATOM 39637 O3* G B1893 -790.679 -56.075 69.353 1.00852.01 O ATOM 39638 C2* G B1893 -790.577 -53.887 70.455 1.00852.01 C ATOM 39639 O2* G B1893 -789.404 -53.646 69.701 1.00852.01 O ATOM 39640 C1* G B1893 -791.500 -52.667 70.361 1.00852.01 C ATOM 39641 N9 G B1893 -792.195 -52.372 71.613 1.00852.01 N ATOM 39642 C8 G B1893 -793.550 -52.410 71.836 1.00852.01 C ATOM 39643 N7 G B1893 -793.875 -52.097 73.061 1.00852.01 N ATOM 39644 C5 G B1893 -792.663 -51.833 73.684 1.00852.01 C ATOM 39645 C6 G B1893 -792.378 -51.443 75.017 1.00852.01 C ATOM 39646 O6 G B1893 -793.167 -51.245 75.948 1.00852.01 O ATOM 39647 N1 G B1893 -791.012 -51.287 75.225 1.00852.01 N ATOM 39648 C2 G B1893 -790.043 -51.477 74.271 1.00852.01 C ATOM 39649 N2 G B1893 -788.777 -51.273 74.665 1.00852.01 N ATOM 39650 N3 G B1893 -790.292 -51.842 73.023 1.00852.01 N ATOM 39651 C4 G B1893 -791.615 -52.002 72.803 1.00852.01 C ATOM 39652 P U B1894 -790.156 -57.211 70.359 1.00852.01 P ATOM 39653 O1P U B1894 -789.370 -58.191 69.564 1.00852.01 O ATOM 39654 O2P U B1894 -791.312 -57.684 71.164 1.00852.01 O ATOM 39655 O5* U B1894 -789.152 -56.443 71.331 1.00852.01 O ATOM 39656 C5* U B1894 -787.888 -55.987 70.862 1.00852.01 C ATOM 39657 C4* U B1894 -787.012 -55.592 72.026 1.00852.01 C ATOM 39658 O4* U B1894 -787.595 -54.442 72.693 1.00852.01 O ATOM 39659 C3* U B1894 -786.875 -56.644 73.121 1.00852.01 C ATOM 39660 O3* U B1894 -785.839 -57.577 72.835 1.00852.01 O ATOM 39661 C2* U B1894 -786.562 -55.804 74.356 1.00852.01 C ATOM 39662 O2* U B1894 -785.192 -55.477 74.454 1.00852.01 O ATOM 39663 C1* U B1894 -787.370 -54.532 74.087 1.00852.01 C ATOM 39664 N1 U B1894 -788.676 -54.513 74.760 1.00852.01 N ATOM 39665 C2 U B1894 -788.719 -54.086 76.073 1.00852.01 C ATOM 39666 O2 U B1894 -787.727 -53.738 76.690 1.00852.01 O ATOM 39667 N3 U B1894 -789.970 -54.086 76.640 1.00852.01 N ATOM 39668 C4 U B1894 -791.153 -54.459 76.041 1.00852.01 C ATOM 39669 O4 U B1894 -792.208 -54.390 76.679 1.00852.01 O ATOM 39670 C5 U B1894 -791.026 -54.888 74.682 1.00852.01 C ATOM 39671 C6 U B1894 -789.823 -54.902 74.103 1.00852.01 C ATOM 39672 P A B1895 -786.208 -59.119 72.549 1.00852.01 P ATOM 39673 O1P A B1895 -786.019 -59.356 71.095 1.00852.01 O ATOM 39674 O2P A B1895 -787.521 -59.406 73.176 1.00852.01 O ATOM 39675 O5* A B1895 -785.090 -59.938 73.333 1.00852.01 O ATOM 39676 C5* A B1895 -783.791 -60.128 72.774 1.00852.01 C ATOM 39677 C4* A B1895 -782.776 -60.314 73.876 1.00852.01 C ATOM 39678 O4* A B1895 -782.849 -59.175 74.769 1.00852.01 O ATOM 39679 C3* A B1895 -782.967 -61.511 74.782 1.00852.01 C ATOM 39680 O3* A B1895 -782.379 -62.667 74.201 1.00852.01 O ATOM 39681 C2* A B1895 -782.263 -61.082 76.063 1.00852.01 C ATOM 39682 O2* A B1895 -780.866 -61.293 76.011 1.00852.01 O ATOM 39683 C1* A B1895 -782.556 -59.582 76.094 1.00852.01 C ATOM 39684 N9 A B1895 -783.719 -59.270 76.924 1.00852.01 N ATOM 39685 C8 A B1895 -785.042 -59.320 76.558 1.00852.01 C ATOM 39686 N7 A B1895 -785.868 -59.006 77.526 1.00852.01 N ATOM 39687 C5 A B1895 -785.034 -58.732 78.600 1.00852.01 C ATOM 39688 C6 A B1895 -785.299 -58.344 79.926 1.00852.01 C ATOM 39689 N6 A B1895 -786.528 -58.167 80.412 1.00852.01 N ATOM 39690 N1 A B1895 -784.240 -58.147 80.740 1.00852.01 N ATOM 39691 C2 A B1895 -783.009 -58.329 80.251 1.00852.01 C ATOM 39692 N3 A B1895 -782.635 -58.697 79.027 1.00852.01 N ATOM 39693 C4 A B1895 -783.707 -58.882 78.241 1.00852.01 C ATOM 39694 P A B1896 -783.295 -63.945 73.859 1.00852.01 P ATOM 39695 O1P A B1896 -782.401 -65.127 73.772 1.00852.01 O ATOM 39696 O2P A B1896 -784.163 -63.595 72.703 1.00852.01 O ATOM 39697 O5* A B1896 -784.225 -64.118 75.142 1.00852.01 O ATOM 39698 C5* A B1896 -783.668 -64.421 76.419 1.00852.01 C ATOM 39699 C4* A B1896 -784.734 -64.957 77.343 1.00852.01 C ATOM 39700 O4* A B1896 -785.744 -63.939 77.554 1.00852.01 O ATOM 39701 C3* A B1896 -785.609 -66.142 76.935 1.00852.01 C ATOM 39702 O3* A B1896 -784.902 -67.365 77.117 1.00852.01 O ATOM 39703 C2* A B1896 -786.842 -66.038 77.824 1.00852.01 C ATOM 39704 O2* A B1896 -786.683 -66.712 79.055 1.00852.01 O ATOM 39705 C1* A B1896 -786.920 -64.528 78.077 1.00852.01 C ATOM 39706 N9 A B1896 -788.068 -63.892 77.431 1.00852.01 N ATOM 39707 C8 A B1896 -788.617 -64.198 76.210 1.00852.01 C ATOM 39708 N7 A B1896 -789.643 -63.448 75.888 1.00852.01 N ATOM 39709 C5 A B1896 -789.777 -62.589 76.970 1.00852.01 C ATOM 39710 C6 A B1896 -790.686 -61.550 77.245 1.00852.01 C ATOM 39711 N6 A B1896 -791.664 -61.181 76.412 1.00852.01 N ATOM 39712 N1 A B1896 -790.550 -60.891 78.413 1.00852.01 N ATOM 39713 C2 A B1896 -789.569 -61.259 79.248 1.00852.01 C ATOM 39714 N3 A B1896 -788.655 -62.217 79.103 1.00852.01 N ATOM 39715 C4 A B1896 -788.816 -62.851 77.929 1.00852.01 C ATOM 39716 P C B1897 -785.594 -68.761 76.712 1.00852.01 P ATOM 39717 O1P C B1897 -786.582 -69.098 77.770 1.00852.01 O ATOM 39718 O2P C B1897 -784.518 -69.731 76.387 1.00852.01 O ATOM 39719 O5* C B1897 -786.392 -68.440 75.376 1.00852.01 O ATOM 39720 C5* C B1897 -785.708 -68.183 74.152 1.00852.01 C ATOM 39721 C4* C B1897 -786.553 -68.622 72.978 1.00852.01 C ATOM 39722 O4* C B1897 -786.902 -70.023 73.128 1.00852.01 O ATOM 39723 C3* C B1897 -787.882 -67.914 72.783 1.00852.01 C ATOM 39724 O3* C B1897 -787.701 -66.700 72.066 1.00852.01 O ATOM 39725 C2* C B1897 -788.696 -68.934 71.995 1.00852.01 C ATOM 39726 O2* C B1897 -788.429 -68.888 70.607 1.00852.01 O ATOM 39727 C1* C B1897 -788.183 -70.257 72.569 1.00852.01 C ATOM 39728 N1 C B1897 -789.056 -70.802 73.624 1.00852.01 N ATOM 39729 C2 C B1897 -789.967 -71.807 73.291 1.00852.01 C ATOM 39730 O2 C B1897 -790.009 -72.215 72.120 1.00852.01 O ATOM 39731 N3 C B1897 -790.776 -72.308 74.252 1.00852.01 N ATOM 39732 C4 C B1897 -790.700 -71.844 75.499 1.00852.01 C ATOM 39733 N4 C B1897 -791.518 -72.364 76.414 1.00852.01 N ATOM 39734 C5 C B1897 -789.777 -70.820 75.868 1.00852.01 C ATOM 39735 C6 C B1897 -788.981 -70.335 74.906 1.00852.01 C ATOM 39736 P U B1898 -788.702 -65.469 72.315 1.00852.01 P ATOM 39737 O1P U B1898 -789.071 -64.924 70.986 1.00852.01 O ATOM 39738 O2P U B1898 -788.099 -64.575 73.334 1.00852.01 O ATOM 39739 O5* U B1898 -789.995 -66.148 72.950 1.00852.01 O ATOM 39740 C5* U B1898 -791.114 -66.478 72.135 1.00852.01 C ATOM 39741 C4* U B1898 -792.355 -66.649 72.981 1.00852.01 C ATOM 39742 O4* U B1898 -792.202 -67.799 73.850 1.00852.01 O ATOM 39743 C3* U B1898 -792.701 -65.507 73.921 1.00852.01 C ATOM 39744 O3* U B1898 -793.407 -64.455 73.265 1.00852.01 O ATOM 39745 C2* U B1898 -793.559 -66.195 74.979 1.00852.01 C ATOM 39746 O2* U B1898 -794.910 -66.329 74.585 1.00852.01 O ATOM 39747 C1* U B1898 -792.912 -67.581 75.055 1.00852.01 C ATOM 39748 N1 U B1898 -791.964 -67.717 76.171 1.00852.01 N ATOM 39749 C2 U B1898 -792.450 -68.213 77.366 1.00852.01 C ATOM 39750 O2 U B1898 -793.615 -68.533 77.529 1.00852.01 O ATOM 39751 N3 U B1898 -791.518 -68.314 78.369 1.00852.01 N ATOM 39752 C4 U B1898 -790.183 -67.980 78.298 1.00852.01 C ATOM 39753 O4 U B1898 -789.467 -68.128 79.291 1.00852.01 O ATOM 39754 C5 U B1898 -789.758 -67.479 77.027 1.00852.01 C ATOM 39755 C6 U B1898 -790.642 -67.367 76.030 1.00852.01 C ATOM 39756 P A B1899 -793.370 -62.972 73.881 1.00852.01 P ATOM 39757 O1P A B1899 -794.208 -62.107 73.014 1.00852.01 O ATOM 39758 O2P A B1899 -791.952 -62.608 74.128 1.00852.01 O ATOM 39759 O5* A B1899 -794.101 -63.121 75.292 1.00852.01 O ATOM 39760 C5* A B1899 -795.490 -63.426 75.362 1.00852.01 C ATOM 39761 C4* A B1899 -795.891 -63.715 76.790 1.00852.01 C ATOM 39762 O4* A B1899 -795.191 -64.897 77.259 1.00852.01 O ATOM 39763 C3* A B1899 -795.512 -62.626 77.775 1.00852.01 C ATOM 39764 O3* A B1899 -796.517 -61.619 77.822 1.00852.01 O ATOM 39765 C2* A B1899 -795.391 -63.383 79.092 1.00852.01 C ATOM 39766 O2* A B1899 -796.640 -63.568 79.727 1.00852.01 O ATOM 39767 C1* A B1899 -794.847 -64.736 78.625 1.00852.01 C ATOM 39768 N9 A B1899 -793.393 -64.821 78.744 1.00852.01 N ATOM 39769 C8 A B1899 -792.460 -64.771 77.739 1.00852.01 C ATOM 39770 N7 A B1899 -791.222 -64.858 78.160 1.00852.01 N ATOM 39771 C5 A B1899 -791.347 -64.980 79.538 1.00852.01 C ATOM 39772 C6 A B1899 -790.399 -65.116 80.567 1.00852.01 C ATOM 39773 N6 A B1899 -789.083 -65.148 80.359 1.00852.01 N ATOM 39774 N1 A B1899 -790.858 -65.216 81.835 1.00852.01 N ATOM 39775 C2 A B1899 -792.180 -65.183 82.041 1.00852.01 C ATOM 39776 N3 A B1899 -793.167 -65.059 81.158 1.00852.01 N ATOM 39777 C4 A B1899 -792.680 -64.963 79.908 1.00852.01 C ATOM 39778 P U B1900 -796.417 -60.353 76.838 1.00852.01 P ATOM 39779 O1P U B1900 -797.185 -60.678 75.610 1.00852.01 O ATOM 39780 O2P U B1900 -794.990 -59.959 76.729 1.00852.01 O ATOM 39781 O5* U B1900 -797.194 -59.200 77.623 1.00852.01 O ATOM 39782 C5* U B1900 -796.487 -58.214 78.374 1.00852.01 C ATOM 39783 C4* U B1900 -796.821 -58.348 79.840 1.00852.01 C ATOM 39784 O4* U B1900 -796.585 -59.716 80.264 1.00852.01 O ATOM 39785 C3* U B1900 -795.939 -57.495 80.753 1.00852.01 C ATOM 39786 O3* U B1900 -796.430 -56.171 80.932 1.00852.01 O ATOM 39787 C2* U B1900 -795.971 -58.272 82.066 1.00852.01 C ATOM 39788 O2* U B1900 -797.110 -57.975 82.847 1.00852.01 O ATOM 39789 C1* U B1900 -796.057 -59.722 81.578 1.00852.01 C ATOM 39790 N1 U B1900 -794.763 -60.417 81.562 1.00852.01 N ATOM 39791 C2 U B1900 -794.284 -60.898 82.765 1.00852.01 C ATOM 39792 O2 U B1900 -794.890 -60.775 83.816 1.00852.01 O ATOM 39793 N3 U B1900 -793.070 -61.537 82.694 1.00852.01 N ATOM 39794 C4 U B1900 -792.302 -61.735 81.566 1.00852.01 C ATOM 39795 O4 U B1900 -791.229 -62.335 81.662 1.00852.01 O ATOM 39796 C5 U B1900 -792.865 -61.205 80.361 1.00852.01 C ATOM 39797 C6 U B1900 -794.048 -60.580 80.400 1.00852.01 C ATOM 39798 P A B1901 -795.538 -54.916 80.471 1.00852.01 P ATOM 39799 O1P A B1901 -796.042 -53.721 81.195 1.00852.01 O ATOM 39800 O2P A B1901 -795.488 -54.905 78.986 1.00852.01 O ATOM 39801 O5* A B1901 -794.076 -55.244 81.017 1.00852.01 O ATOM 39802 C5* A B1901 -793.831 -55.431 82.408 1.00852.01 C ATOM 39803 C4* A B1901 -792.382 -55.795 82.628 1.00852.01 C ATOM 39804 O4* A B1901 -792.136 -57.103 82.049 1.00852.01 O ATOM 39805 C3* A B1901 -791.342 -54.903 81.969 1.00852.01 C ATOM 39806 O3* A B1901 -791.062 -53.727 82.720 1.00852.01 O ATOM 39807 C2* A B1901 -790.141 -55.827 81.829 1.00852.01 C ATOM 39808 O2* A B1901 -789.384 -55.916 83.021 1.00852.01 O ATOM 39809 C1* A B1901 -790.817 -57.169 81.544 1.00852.01 C ATOM 39810 N9 A B1901 -790.907 -57.469 80.117 1.00852.01 N ATOM 39811 C8 A B1901 -791.985 -57.999 79.454 1.00852.01 C ATOM 39812 N7 A B1901 -791.790 -58.155 78.168 1.00852.01 N ATOM 39813 C5 A B1901 -790.497 -57.695 77.969 1.00852.01 C ATOM 39814 C6 A B1901 -789.697 -57.594 76.819 1.00852.01 C ATOM 39815 N6 A B1901 -790.099 -57.964 75.600 1.00852.01 N ATOM 39816 N1 A B1901 -788.451 -57.094 76.962 1.00852.01 N ATOM 39817 C2 A B1901 -788.047 -56.724 78.184 1.00852.01 C ATOM 39818 N3 A B1901 -788.705 -56.769 79.340 1.00852.01 N ATOM 39819 C4 A B1901 -789.938 -57.273 79.162 1.00852.01 C ATOM 39820 P A B1902 -790.760 -52.344 81.955 1.00852.01 P ATOM 39821 O1P A B1902 -792.049 -51.620 81.813 1.00852.01 O ATOM 39822 O2P A B1902 -789.949 -52.646 80.748 1.00852.01 O ATOM 39823 O5* A B1902 -789.846 -51.533 82.980 1.00852.01 O ATOM 39824 C5* A B1902 -790.411 -50.933 84.141 1.00852.01 C ATOM 39825 C4* A B1902 -789.319 -50.539 85.109 1.00852.01 C ATOM 39826 O4* A B1902 -788.622 -51.722 85.574 1.00852.01 O ATOM 39827 C3* A B1902 -788.276 -49.666 84.406 1.00852.01 C ATOM 39828 O3* A B1902 -788.530 -48.287 84.636 1.00852.01 O ATOM 39829 C2* A B1902 -786.949 -50.122 85.008 1.00852.01 C ATOM 39830 O2* A B1902 -786.634 -49.436 86.204 1.00852.01 O ATOM 39831 C1* A B1902 -787.234 -51.592 85.319 1.00852.01 C ATOM 39832 N9 A B1902 -786.891 -52.477 84.206 1.00852.01 N ATOM 39833 C8 A B1902 -787.582 -53.581 83.765 1.00852.01 C ATOM 39834 N7 A B1902 -787.027 -54.172 82.733 1.00852.01 N ATOM 39835 C5 A B1902 -785.898 -53.407 82.478 1.00852.01 C ATOM 39836 C6 A B1902 -784.884 -53.510 81.510 1.00852.01 C ATOM 39837 N6 A B1902 -784.848 -54.463 80.575 1.00852.01 N ATOM 39838 N1 A B1902 -783.900 -52.586 81.529 1.00852.01 N ATOM 39839 C2 A B1902 -783.937 -51.628 82.466 1.00852.01 C ATOM 39840 N3 A B1902 -784.836 -51.428 83.428 1.00852.01 N ATOM 39841 C4 A B1902 -785.800 -52.362 83.380 1.00852.01 C ATOM 39842 P C B1903 -788.982 -47.346 83.413 1.00852.01 P ATOM 39843 O1P C B1903 -789.376 -46.031 83.981 1.00852.01 O ATOM 39844 O2P C B1903 -789.948 -48.105 82.578 1.00852.01 O ATOM 39845 O5* C B1903 -787.644 -47.146 82.572 1.00852.01 O ATOM 39846 C5* C B1903 -787.653 -46.425 81.343 1.00852.01 C ATOM 39847 C4* C B1903 -786.813 -47.145 80.309 1.00852.01 C ATOM 39848 O4* C B1903 -787.035 -48.573 80.422 1.00852.01 O ATOM 39849 C3* C B1903 -787.173 -46.796 78.875 1.00852.01 C ATOM 39850 O3* C B1903 -786.463 -45.651 78.424 1.00852.01 O ATOM 39851 C2* C B1903 -786.779 -48.055 78.111 1.00852.01 C ATOM 39852 O2* C B1903 -785.403 -48.088 77.787 1.00852.01 O ATOM 39853 C1* C B1903 -787.089 -49.153 79.130 1.00852.01 C ATOM 39854 N1 C B1903 -788.426 -49.743 78.949 1.00852.01 N ATOM 39855 C2 C B1903 -788.598 -50.747 77.990 1.00852.01 C ATOM 39856 O2 C B1903 -787.618 -51.118 77.328 1.00852.01 O ATOM 39857 N3 C B1903 -789.825 -51.289 77.814 1.00852.01 N ATOM 39858 C4 C B1903 -790.853 -50.861 78.549 1.00852.01 C ATOM 39859 N4 C B1903 -792.047 -51.427 78.339 1.00852.01 N ATOM 39860 C5 C B1903 -790.707 -49.843 79.533 1.00852.01 C ATOM 39861 C6 C B1903 -789.486 -49.316 79.698 1.00852.01 C ATOM 39862 P G B1904 -787.276 -44.375 77.875 1.00852.01 P ATOM 39863 O1P G B1904 -786.374 -43.200 77.952 1.00852.01 O ATOM 39864 O2P G B1904 -788.592 -44.335 78.562 1.00852.01 O ATOM 39865 O5* G B1904 -787.526 -44.714 76.339 1.00852.01 O ATOM 39866 C5* G B1904 -786.452 -44.683 75.403 1.00852.01 C ATOM 39867 C4* G B1904 -786.954 -45.030 74.020 1.00852.01 C ATOM 39868 O4* G B1904 -787.557 -46.350 74.032 1.00852.01 O ATOM 39869 C3* G B1904 -788.012 -44.151 73.378 1.00852.01 C ATOM 39870 O3* G B1904 -787.426 -42.985 72.807 1.00852.01 O ATOM 39871 C2* G B1904 -788.623 -45.067 72.328 1.00852.01 C ATOM 39872 O2* G B1904 -787.873 -45.098 71.128 1.00852.01 O ATOM 39873 C1* G B1904 -788.540 -46.433 73.015 1.00852.01 C ATOM 39874 N9 G B1904 -789.801 -46.828 73.636 1.00852.01 N ATOM 39875 C8 G B1904 -790.252 -46.488 74.891 1.00852.01 C ATOM 39876 N7 G B1904 -791.428 -46.985 75.163 1.00852.01 N ATOM 39877 C5 G B1904 -791.776 -47.695 74.022 1.00852.01 C ATOM 39878 C6 G B1904 -792.942 -48.446 73.727 1.00852.01 C ATOM 39879 O6 G B1904 -793.935 -48.642 74.433 1.00852.01 O ATOM 39880 N1 G B1904 -792.880 -49.002 72.451 1.00852.01 N ATOM 39881 C2 G B1904 -791.834 -48.856 71.574 1.00852.01 C ATOM 39882 N2 G B1904 -791.963 -49.474 70.392 1.00852.01 N ATOM 39883 N3 G B1904 -790.744 -48.160 71.837 1.00852.01 N ATOM 39884 C4 G B1904 -790.780 -47.609 73.071 1.00852.01 C ATOM 39885 P G B1905 -788.277 -41.623 72.738 1.00852.01 P ATOM 39886 O1P G B1905 -787.364 -40.548 72.277 1.00852.01 O ATOM 39887 O2P G B1905 -789.006 -41.463 74.022 1.00852.01 O ATOM 39888 O5* G B1905 -789.344 -41.897 71.586 1.00852.01 O ATOM 39889 C5* G B1905 -788.984 -41.768 70.217 1.00852.01 C ATOM 39890 C4* G B1905 -790.214 -41.843 69.340 1.00852.01 C ATOM 39891 O4* G B1905 -790.929 -43.078 69.592 1.00852.01 O ATOM 39892 C3* G B1905 -791.233 -40.731 69.578 1.00852.01 C ATOM 39893 O3* G B1905 -790.953 -39.531 68.859 1.00852.01 O ATOM 39894 C2* G B1905 -792.537 -41.380 69.128 1.00852.01 C ATOM 39895 O2* G B1905 -792.731 -41.310 67.729 1.00852.01 O ATOM 39896 C1* G B1905 -792.324 -42.838 69.543 1.00852.01 C ATOM 39897 N9 G B1905 -792.892 -43.144 70.853 1.00852.01 N ATOM 39898 C8 G B1905 -792.349 -42.852 72.081 1.00852.01 C ATOM 39899 N7 G B1905 -793.098 -43.247 73.076 1.00852.01 N ATOM 39900 C5 G B1905 -794.199 -43.835 72.468 1.00852.01 C ATOM 39901 C6 G B1905 -795.350 -44.442 73.036 1.00852.01 C ATOM 39902 O6 G B1905 -795.639 -44.590 74.229 1.00852.01 O ATOM 39903 N1 G B1905 -796.219 -44.907 72.051 1.00852.01 N ATOM 39904 C2 G B1905 -796.011 -44.801 70.701 1.00852.01 C ATOM 39905 N2 G B1905 -796.968 -45.315 69.914 1.00852.01 N ATOM 39906 N3 G B1905 -794.942 -44.238 70.160 1.00852.01 N ATOM 39907 C4 G B1905 -794.086 -43.779 71.095 1.00852.01 C ATOM 39908 P U B1906 -791.491 -38.126 69.421 1.00852.01 P ATOM 39909 O1P U B1906 -791.103 -37.080 68.439 1.00852.01 O ATOM 39910 O2P U B1906 -791.064 -37.996 70.838 1.00852.01 O ATOM 39911 O5* U B1906 -793.077 -38.279 69.388 1.00852.01 O ATOM 39912 C5* U B1906 -793.773 -38.380 68.148 1.00852.01 C ATOM 39913 C4* U B1906 -795.185 -38.869 68.373 1.00852.01 C ATOM 39914 O4* U B1906 -795.170 -40.054 69.216 1.00852.01 O ATOM 39915 C3* U B1906 -796.144 -37.935 69.080 1.00852.01 C ATOM 39916 O3* U B1906 -796.696 -37.007 68.150 1.00852.01 O ATOM 39917 C2* U B1906 -797.201 -38.879 69.639 1.00852.01 C ATOM 39918 O2* U B1906 -798.189 -39.197 68.683 1.00852.01 O ATOM 39919 C1* U B1906 -796.378 -40.130 69.959 1.00852.01 C ATOM 39920 N1 U B1906 -796.043 -40.257 71.384 1.00852.01 N ATOM 39921 C2 U B1906 -796.718 -41.220 72.135 1.00852.01 C ATOM 39922 O2 U B1906 -797.561 -41.964 71.666 1.00852.01 O ATOM 39923 N3 U B1906 -796.360 -41.272 73.460 1.00852.01 N ATOM 39924 C4 U B1906 -795.418 -40.483 74.100 1.00852.01 C ATOM 39925 O4 U B1906 -795.209 -40.639 75.300 1.00852.01 O ATOM 39926 C5 U B1906 -794.769 -39.522 73.253 1.00852.01 C ATOM 39927 C6 U B1906 -795.095 -39.446 71.961 1.00852.01 C ATOM 39928 P C B1907 -797.579 -35.776 68.684 1.00852.01 P ATOM 39929 O1P C B1907 -797.793 -34.850 67.543 1.00852.01 O ATOM 39930 O2P C B1907 -796.964 -35.270 69.937 1.00852.01 O ATOM 39931 O5* C B1907 -798.981 -36.442 69.050 1.00852.01 O ATOM 39932 C5* C B1907 -799.877 -36.860 68.026 1.00852.01 C ATOM 39933 C4* C B1907 -801.138 -37.430 68.630 1.00852.01 C ATOM 39934 O4* C B1907 -800.816 -38.621 69.398 1.00852.01 O ATOM 39935 C3* C B1907 -801.875 -36.564 69.638 1.00852.01 C ATOM 39936 O3* C B1907 -802.697 -35.581 69.015 1.00852.01 O ATOM 39937 C2* C B1907 -802.694 -37.576 70.429 1.00852.01 C ATOM 39938 O2* C B1907 -803.911 -37.911 69.792 1.00852.01 O ATOM 39939 C1* C B1907 -801.771 -38.795 70.431 1.00852.01 C ATOM 39940 N1 C B1907 -801.048 -38.975 71.700 1.00852.01 N ATOM 39941 C2 C B1907 -801.766 -39.374 72.831 1.00852.01 C ATOM 39942 O2 C B1907 -802.985 -39.568 72.732 1.00852.01 O ATOM 39943 N3 C B1907 -801.113 -39.537 74.007 1.00852.01 N ATOM 39944 C4 C B1907 -799.796 -39.319 74.072 1.00852.01 C ATOM 39945 N4 C B1907 -799.193 -39.489 75.249 1.00852.01 N ATOM 39946 C5 C B1907 -799.042 -38.913 72.933 1.00852.01 C ATOM 39947 C6 C B1907 -799.701 -38.755 71.778 1.00852.01 C ATOM 39948 P C B1908 -803.089 -34.249 69.821 1.00852.01 P ATOM 39949 O1P C B1908 -804.213 -33.605 69.099 1.00852.01 O ATOM 39950 O2P C B1908 -801.845 -33.482 70.079 1.00852.01 O ATOM 39951 O5* C B1908 -803.636 -34.791 71.217 1.00852.01 O ATOM 39952 C5* C B1908 -804.979 -35.248 71.344 1.00852.01 C ATOM 39953 C4* C B1908 -805.366 -35.335 72.801 1.00852.01 C ATOM 39954 O4* C B1908 -804.608 -36.389 73.447 1.00852.01 O ATOM 39955 C3* C B1908 -805.053 -34.061 73.601 1.00852.01 C ATOM 39956 O3* C B1908 -806.017 -33.018 73.551 1.00852.01 O ATOM 39957 C2* C B1908 -804.864 -34.609 75.013 1.00852.01 C ATOM 39958 O2* C B1908 -806.089 -34.797 75.690 1.00852.01 O ATOM 39959 C1* C B1908 -804.212 -35.965 74.743 1.00852.01 C ATOM 39960 N1 C B1908 -802.741 -35.912 74.783 1.00852.01 N ATOM 39961 C2 C B1908 -802.110 -35.667 76.006 1.00852.01 C ATOM 39962 O2 C B1908 -802.809 -35.513 77.019 1.00852.01 O ATOM 39963 N3 C B1908 -800.760 -35.606 76.054 1.00852.01 N ATOM 39964 C4 C B1908 -800.045 -35.781 74.938 1.00852.01 C ATOM 39965 N4 C B1908 -798.715 -35.706 75.032 1.00852.01 N ATOM 39966 C5 C B1908 -800.661 -36.031 73.678 1.00852.01 C ATOM 39967 C6 C B1908 -802.000 -36.092 73.647 1.00852.01 C ATOM 39968 P U B1909 -805.578 -31.561 73.029 1.00852.01 P ATOM 39969 O1P U B1909 -806.015 -30.571 74.046 1.00852.01 O ATOM 39970 O2P U B1909 -806.031 -31.414 71.622 1.00852.01 O ATOM 39971 O5* U B1909 -803.985 -31.614 73.040 1.00852.01 O ATOM 39972 C5* U B1909 -803.237 -31.011 74.090 1.00852.01 C ATOM 39973 C4* U B1909 -803.542 -31.696 75.402 1.00852.01 C ATOM 39974 O4* U B1909 -802.367 -32.402 75.874 1.00852.01 O ATOM 39975 C3* U B1909 -803.939 -30.845 76.604 1.00852.01 C ATOM 39976 O3* U B1909 -805.314 -30.486 76.532 1.00852.01 O ATOM 39977 C2* U B1909 -803.652 -31.769 77.783 1.00852.01 C ATOM 39978 O2* U B1909 -804.710 -32.668 78.041 1.00852.01 O ATOM 39979 C1* U B1909 -802.433 -32.551 77.282 1.00852.01 C ATOM 39980 N1 U B1909 -801.168 -32.074 77.860 1.00852.01 N ATOM 39981 C2 U B1909 -800.496 -32.925 78.715 1.00852.01 C ATOM 39982 O2 U B1909 -800.902 -34.037 78.996 1.00852.01 O ATOM 39983 N3 U B1909 -799.325 -32.422 79.228 1.00852.01 N ATOM 39984 C4 U B1909 -798.771 -31.183 78.979 1.00852.01 C ATOM 39985 O4 U B1909 -797.711 -30.872 79.520 1.00852.01 O ATOM 39986 C5 U B1909 -799.527 -30.362 78.080 1.00852.01 C ATOM 39987 C6 U B1909 -800.671 -30.825 77.564 1.00852.01 C ATOM 39988 P A B1910 -805.739 -28.941 76.684 1.00852.01 P ATOM 39989 O1P A B1910 -807.205 -28.903 76.909 1.00852.01 O ATOM 39990 O2P A B1910 -805.145 -28.180 75.556 1.00852.01 O ATOM 39991 O5* A B1910 -805.024 -28.478 78.028 1.00852.01 O ATOM 39992 C5* A B1910 -805.618 -27.493 78.866 1.00852.01 C ATOM 39993 C4* A B1910 -805.871 -28.070 80.238 1.00852.01 C ATOM 39994 O4* A B1910 -807.112 -28.820 80.226 1.00852.01 O ATOM 39995 C3* A B1910 -804.824 -29.069 80.698 1.00852.01 C ATOM 39996 O3* A B1910 -803.698 -28.422 81.281 1.00852.01 O ATOM 39997 C2* A B1910 -805.595 -29.940 81.683 1.00852.01 C ATOM 39998 O2* A B1910 -805.666 -29.368 82.975 1.00852.01 O ATOM 39999 C1* A B1910 -806.989 -29.965 81.054 1.00852.01 C ATOM 40000 N9 A B1910 -807.210 -31.144 80.219 1.00852.01 N ATOM 40001 C8 A B1910 -807.133 -31.228 78.851 1.00852.01 C ATOM 40002 N7 A B1910 -807.379 -32.428 78.376 1.00852.01 N ATOM 40003 C5 A B1910 -807.634 -33.184 79.513 1.00852.01 C ATOM 40004 C6 A B1910 -807.963 -34.540 79.688 1.00852.01 C ATOM 40005 N6 A B1910 -808.091 -35.409 78.683 1.00852.01 N ATOM 40006 N1 A B1910 -808.156 -34.981 80.951 1.00852.01 N ATOM 40007 C2 A B1910 -808.026 -34.109 81.961 1.00852.01 C ATOM 40008 N3 A B1910 -807.720 -32.814 81.921 1.00852.01 N ATOM 40009 C4 A B1910 -807.536 -32.408 80.651 1.00852.01 C ATOM 40010 P A B1911 -802.312 -29.216 81.416 1.00852.01 P ATOM 40011 O1P A B1911 -801.229 -28.222 81.617 1.00852.01 O ATOM 40012 O2P A B1911 -802.216 -30.192 80.300 1.00852.01 O ATOM 40013 O5* A B1911 -802.500 -30.027 82.772 1.00852.01 O ATOM 40014 C5* A B1911 -801.894 -31.294 82.949 1.00852.01 C ATOM 40015 C4* A B1911 -802.876 -32.244 83.579 1.00852.01 C ATOM 40016 O4* A B1911 -804.025 -32.415 82.713 1.00852.01 O ATOM 40017 C3* A B1911 -802.361 -33.645 83.777 1.00852.01 C ATOM 40018 O3* A B1911 -801.601 -33.700 84.962 1.00852.01 O ATOM 40019 C2* A B1911 -803.629 -34.484 83.814 1.00852.01 C ATOM 40020 O2* A B1911 -804.248 -34.487 85.081 1.00852.01 O ATOM 40021 C1* A B1911 -804.494 -33.755 82.787 1.00852.01 C ATOM 40022 N9 A B1911 -804.356 -34.354 81.462 1.00852.01 N ATOM 40023 C8 A B1911 -803.590 -33.905 80.415 1.00852.01 C ATOM 40024 N7 A B1911 -803.651 -34.660 79.348 1.00852.01 N ATOM 40025 C5 A B1911 -804.522 -35.678 79.712 1.00852.01 C ATOM 40026 C6 A B1911 -805.006 -36.804 79.024 1.00852.01 C ATOM 40027 N6 A B1911 -804.671 -37.103 77.766 1.00852.01 N ATOM 40028 N1 A B1911 -805.858 -37.620 79.674 1.00852.01 N ATOM 40029 C2 A B1911 -806.191 -37.319 80.932 1.00852.01 C ATOM 40030 N3 A B1911 -805.805 -36.297 81.690 1.00852.01 N ATOM 40031 C4 A B1911 -804.963 -35.500 81.012 1.00852.01 C ATOM 40032 P G B1912 -800.221 -34.499 84.955 1.00852.01 P ATOM 40033 O1P G B1912 -799.660 -34.420 86.336 1.00852.01 O ATOM 40034 O2P G B1912 -799.398 -34.030 83.807 1.00852.01 O ATOM 40035 O5* G B1912 -800.677 -36.006 84.675 1.00852.01 O ATOM 40036 C5* G B1912 -801.759 -36.629 85.363 1.00852.01 C ATOM 40037 C4* G B1912 -802.300 -37.821 84.586 1.00852.01 C ATOM 40038 O4* G B1912 -802.714 -37.327 83.296 1.00852.01 O ATOM 40039 C3* G B1912 -801.256 -38.851 84.313 1.00852.01 C ATOM 40040 O3* G B1912 -801.300 -39.764 85.370 1.00852.01 O ATOM 40041 C2* G B1912 -801.585 -39.338 82.917 1.00852.01 C ATOM 40042 O2* G B1912 -802.640 -40.274 82.901 1.00852.01 O ATOM 40043 C1* G B1912 -802.009 -38.011 82.288 1.00852.01 C ATOM 40044 N9 G B1912 -800.889 -37.131 81.951 1.00852.01 N ATOM 40045 C8 G B1912 -800.998 -35.826 81.547 1.00852.01 C ATOM 40046 N7 G B1912 -799.843 -35.245 81.351 1.00852.01 N ATOM 40047 C5 G B1912 -798.907 -36.232 81.639 1.00852.01 C ATOM 40048 C6 G B1912 -797.488 -36.182 81.615 1.00852.01 C ATOM 40049 O6 G B1912 -796.757 -35.234 81.311 1.00852.01 O ATOM 40050 N1 G B1912 -796.925 -37.394 81.993 1.00852.01 N ATOM 40051 C2 G B1912 -797.633 -38.518 82.346 1.00852.01 C ATOM 40052 N2 G B1912 -796.911 -39.592 82.688 1.00852.01 N ATOM 40053 N3 G B1912 -798.957 -38.582 82.364 1.00852.01 N ATOM 40054 C4 G B1912 -799.529 -37.410 82.006 1.00852.01 C ATOM 40055 P G B1913 -799.316 -41.868 85.053 1.00852.18 P ATOM 40056 O1P G B1913 -798.950 -42.970 84.168 1.00852.18 O ATOM 40057 O2P G B1913 -798.379 -40.730 85.238 1.00852.18 O ATOM 40058 O5* G B1913 -799.788 -42.445 86.459 1.00852.18 O ATOM 40059 C5* G B1913 -799.011 -42.298 87.624 1.00852.18 C ATOM 40060 C4* G B1913 -799.804 -42.749 88.805 1.00852.18 C ATOM 40061 O4* G B1913 -801.139 -42.177 88.821 1.00852.18 O ATOM 40062 C3* G B1913 -800.105 -44.223 88.977 1.00852.18 C ATOM 40063 O3* G B1913 -798.935 -44.861 89.442 1.00852.18 O ATOM 40064 C2* G B1913 -801.206 -44.230 90.031 1.00852.18 C ATOM 40065 O2* G B1913 -800.667 -44.176 91.324 1.00852.18 O ATOM 40066 C1* G B1913 -801.922 -42.908 89.749 1.00852.18 C ATOM 40067 N9 G B1913 -803.255 -43.137 89.210 1.00852.18 N ATOM 40068 C8 G B1913 -803.597 -43.651 87.985 1.00852.18 C ATOM 40069 N7 G B1913 -804.887 -43.795 87.838 1.00852.18 N ATOM 40070 C5 G B1913 -805.423 -43.330 89.031 1.00852.18 C ATOM 40071 C6 G B1913 -806.773 -43.225 89.457 1.00852.18 C ATOM 40072 O6 G B1913 -807.804 -43.527 88.843 1.00852.18 O ATOM 40073 N1 G B1913 -806.865 -42.697 90.742 1.00852.18 N ATOM 40074 C2 G B1913 -805.795 -42.315 91.516 1.00852.18 C ATOM 40075 N2 G B1913 -806.087 -41.836 92.734 1.00852.18 N ATOM 40076 N3 G B1913 -804.537 -42.400 91.127 1.00852.18 N ATOM 40077 C4 G B1913 -804.427 -42.914 89.882 1.00852.18 C ATOM 40078 P U B1914 -798.980 -46.405 89.846 1.00852.18 P ATOM 40079 O1P U B1914 -797.828 -47.082 89.192 1.00852.18 O ATOM 40080 O2P U B1914 -800.356 -46.917 89.629 1.00852.18 O ATOM 40081 O5* U B1914 -798.697 -46.330 91.408 1.00852.18 O ATOM 40082 C5* U B1914 -797.362 -46.222 91.880 1.00852.18 C ATOM 40083 C4* U B1914 -797.320 -45.398 93.135 1.00852.18 C ATOM 40084 O4* U B1914 -797.860 -44.067 92.935 1.00852.18 O ATOM 40085 C3* U B1914 -798.059 -45.908 94.350 1.00852.18 C ATOM 40086 O3* U B1914 -797.354 -46.970 94.971 1.00852.18 O ATOM 40087 C2* U B1914 -798.160 -44.661 95.223 1.00852.18 C ATOM 40088 O2* U B1914 -796.983 -44.431 95.967 1.00852.18 O ATOM 40089 C1* U B1914 -798.323 -43.557 94.178 1.00852.18 C ATOM 40090 N1 U B1914 -799.729 -43.136 94.044 1.00852.18 N ATOM 40091 C2 U B1914 -799.967 -41.822 93.692 1.00852.18 C ATOM 40092 O2 U B1914 -799.073 -41.025 93.467 1.00852.18 O ATOM 40093 N3 U B1914 -801.295 -41.477 93.616 1.00852.18 N ATOM 40094 C4 U B1914 -802.382 -42.291 93.851 1.00852.18 C ATOM 40095 O4 U B1914 -803.518 -41.828 93.761 1.00852.18 O ATOM 40096 C5 U B1914 -802.047 -43.639 94.200 1.00852.18 C ATOM 40097 C6 U B1914 -800.765 -44.008 94.277 1.00852.18 C ATOM 40098 P A B1915 -798.100 -47.852 96.082 1.00852.18 P ATOM 40099 O1P A B1915 -797.170 -48.924 96.522 1.00852.18 O ATOM 40100 O2P A B1915 -799.445 -48.217 95.565 1.00852.18 O ATOM 40101 O5* A B1915 -798.289 -46.827 97.284 1.00852.18 O ATOM 40102 C5* A B1915 -797.205 -46.528 98.156 1.00852.18 C ATOM 40103 C4* A B1915 -797.694 -46.394 99.574 1.00852.18 C ATOM 40104 O4* A B1915 -798.480 -45.185 99.728 1.00852.18 O ATOM 40105 C3* A B1915 -798.620 -47.532 99.995 1.00852.18 C ATOM 40106 O3* A B1915 -797.943 -48.707 100.418 1.00852.18 O ATOM 40107 C2* A B1915 -799.452 -46.882 101.098 1.00852.18 C ATOM 40108 O2* A B1915 -798.788 -46.883 102.343 1.00852.18 O ATOM 40109 C1* A B1915 -799.577 -45.442 100.589 1.00852.18 C ATOM 40110 N9 A B1915 -800.812 -45.188 99.844 1.00852.18 N ATOM 40111 C8 A B1915 -800.968 -44.396 98.732 1.00852.18 C ATOM 40112 N7 A B1915 -802.195 -44.352 98.280 1.00852.18 N ATOM 40113 C5 A B1915 -802.900 -45.169 99.154 1.00852.18 C ATOM 40114 C6 A B1915 -804.257 -45.536 99.219 1.00852.18 C ATOM 40115 N6 A B1915 -805.181 -45.104 98.354 1.00852.18 N ATOM 40116 N1 A B1915 -804.635 -46.369 100.213 1.00852.18 N ATOM 40117 C2 A B1915 -803.705 -46.796 101.074 1.00852.18 C ATOM 40118 N3 A B1915 -802.401 -46.523 101.121 1.00852.18 N ATOM 40119 C4 A B1915 -802.060 -45.692 100.120 1.00852.18 C ATOM 40120 P G B1916 -798.455 -50.141 99.906 1.00852.18 P ATOM 40121 O1P G B1916 -797.579 -51.174 100.512 1.00852.18 O ATOM 40122 O2P G B1916 -798.611 -50.083 98.431 1.00852.18 O ATOM 40123 O5* G B1916 -799.904 -50.270 100.554 1.00852.18 O ATOM 40124 C5* G B1916 -800.056 -50.500 101.950 1.00852.18 C ATOM 40125 C4* G B1916 -801.488 -50.850 102.267 1.00852.18 C ATOM 40126 O4* G B1916 -802.356 -49.741 101.913 1.00852.18 O ATOM 40127 C3* G B1916 -802.030 -52.038 101.494 1.00852.18 C ATOM 40128 O3* G B1916 -801.717 -53.253 102.161 1.00852.18 O ATOM 40129 C2* G B1916 -803.526 -51.760 101.443 1.00852.18 C ATOM 40130 O2* G B1916 -804.193 -52.166 102.618 1.00852.18 O ATOM 40131 C1* G B1916 -803.551 -50.236 101.333 1.00852.18 C ATOM 40132 N9 G B1916 -803.599 -49.792 99.946 1.00852.18 N ATOM 40133 C8 G B1916 -802.530 -49.484 99.138 1.00852.18 C ATOM 40134 N7 G B1916 -802.883 -49.136 97.930 1.00852.18 N ATOM 40135 C5 G B1916 -804.268 -49.216 97.938 1.00852.18 C ATOM 40136 C6 G B1916 -805.212 -48.960 96.909 1.00852.18 C ATOM 40137 O6 G B1916 -805.006 -48.611 95.744 1.00852.18 O ATOM 40138 N1 G B1916 -806.517 -49.164 97.348 1.00852.18 N ATOM 40139 C2 G B1916 -806.870 -49.562 98.614 1.00852.18 C ATOM 40140 N2 G B1916 -808.185 -49.702 98.841 1.00852.18 N ATOM 40141 N3 G B1916 -805.999 -49.807 99.584 1.00852.18 N ATOM 40142 C4 G B1916 -804.725 -49.614 99.178 1.00852.18 C ATOM 40143 P C B1917 -801.495 -54.592 101.301 1.00852.18 P ATOM 40144 O1P C B1917 -800.901 -55.607 102.204 1.00852.18 O ATOM 40145 O2P C B1917 -800.790 -54.225 100.046 1.00852.18 O ATOM 40146 O5* C B1917 -802.972 -55.055 100.931 1.00852.18 O ATOM 40147 C5* C B1917 -803.956 -55.212 101.949 1.00852.18 C ATOM 40148 C4* C B1917 -805.348 -55.172 101.361 1.00852.18 C ATOM 40149 O4* C B1917 -805.631 -53.851 100.828 1.00852.18 O ATOM 40150 C3* C B1917 -805.547 -56.121 100.186 1.00852.18 C ATOM 40151 O3* C B1917 -805.886 -57.447 100.576 1.00852.18 O ATOM 40152 C2* C B1917 -806.697 -55.463 99.431 1.00852.18 C ATOM 40153 O2* C B1917 -807.959 -55.785 99.979 1.00852.18 O ATOM 40154 C1* C B1917 -806.410 -53.976 99.648 1.00852.18 C ATOM 40155 N1 C B1917 -805.670 -53.401 98.516 1.00852.18 N ATOM 40156 C2 C B1917 -806.387 -53.002 97.384 1.00852.18 C ATOM 40157 O2 C B1917 -807.621 -53.122 97.384 1.00852.18 O ATOM 40158 N3 C B1917 -805.720 -52.498 96.321 1.00852.18 N ATOM 40159 C4 C B1917 -804.391 -52.383 96.362 1.00852.18 C ATOM 40160 N4 C B1917 -803.775 -51.886 95.289 1.00852.18 N ATOM 40161 C5 C B1917 -803.636 -52.768 97.510 1.00852.18 C ATOM 40162 C6 C B1917 -804.308 -53.265 98.553 1.00852.18 C ATOM 40163 P G B1918 -805.172 -58.693 99.855 1.00852.18 P ATOM 40164 O1P G B1918 -805.475 -59.909 100.653 1.00852.18 O ATOM 40165 O2P G B1918 -803.756 -58.322 99.592 1.00852.18 O ATOM 40166 O5* G B1918 -805.915 -58.823 98.453 1.00852.18 O ATOM 40167 C5* G B1918 -807.328 -58.643 98.343 1.00852.18 C ATOM 40168 C4* G B1918 -807.660 -57.959 97.037 1.00852.18 C ATOM 40169 O4* G B1918 -806.723 -56.874 96.819 1.00852.18 O ATOM 40170 C3* G B1918 -807.584 -58.794 95.770 1.00852.18 C ATOM 40171 O3* G B1918 -808.810 -59.491 95.568 1.00852.18 O ATOM 40172 C2* G B1918 -807.332 -57.750 94.688 1.00852.18 C ATOM 40173 O2* G B1918 -808.522 -57.138 94.232 1.00852.18 O ATOM 40174 C1* G B1918 -806.481 -56.719 95.435 1.00852.18 C ATOM 40175 N9 G B1918 -805.046 -56.865 95.215 1.00852.18 N ATOM 40176 C8 G B1918 -804.092 -57.114 96.171 1.00852.18 C ATOM 40177 N7 G B1918 -802.883 -57.194 95.686 1.00852.18 N ATOM 40178 C5 G B1918 -803.051 -56.988 94.321 1.00852.18 C ATOM 40179 C6 G B1918 -802.096 -56.966 93.272 1.00852.18 C ATOM 40180 O6 G B1918 -800.870 -57.126 93.343 1.00852.18 O ATOM 40181 N1 G B1918 -802.695 -56.728 92.041 1.00852.18 N ATOM 40182 C2 G B1918 -804.038 -56.536 91.841 1.00852.18 C ATOM 40183 N2 G B1918 -804.421 -56.322 90.573 1.00852.18 N ATOM 40184 N3 G B1918 -804.942 -56.553 92.808 1.00852.18 N ATOM 40185 C4 G B1918 -804.378 -56.782 94.013 1.00852.18 C ATOM 40186 P A B1919 -808.988 -60.444 94.288 1.00852.18 P ATOM 40187 O1P A B1919 -807.884 -61.436 94.315 1.00852.18 O ATOM 40188 O2P A B1919 -809.167 -59.582 93.092 1.00852.18 O ATOM 40189 O5* A B1919 -810.355 -61.217 94.557 1.00852.18 O ATOM 40190 C5* A B1919 -811.522 -60.528 95.003 1.00852.18 C ATOM 40191 C4* A B1919 -812.749 -61.378 94.758 1.00852.18 C ATOM 40192 O4* A B1919 -812.926 -61.547 93.332 1.00852.18 O ATOM 40193 C3* A B1919 -812.696 -62.788 95.329 1.00852.18 C ATOM 40194 O3* A B1919 -813.212 -62.793 96.660 1.00852.18 O ATOM 40195 C2* A B1919 -813.614 -63.583 94.398 1.00852.18 C ATOM 40196 O2* A B1919 -814.964 -63.557 94.815 1.00852.18 O ATOM 40197 C1* A B1919 -813.490 -62.818 93.075 1.00852.18 C ATOM 40198 N9 A B1919 -812.741 -63.443 91.983 1.00852.18 N ATOM 40199 C8 A B1919 -811.411 -63.778 91.931 1.00852.18 C ATOM 40200 N7 A B1919 -811.036 -64.265 90.771 1.00852.18 N ATOM 40201 C5 A B1919 -812.200 -64.261 90.016 1.00852.18 C ATOM 40202 C6 A B1919 -812.474 -64.648 88.692 1.00852.18 C ATOM 40203 N6 A B1919 -811.550 -65.119 87.851 1.00852.18 N ATOM 40204 N1 A B1919 -813.747 -64.533 88.250 1.00852.18 N ATOM 40205 C2 A B1919 -814.671 -64.049 89.088 1.00852.18 C ATOM 40206 N3 A B1919 -814.537 -63.644 90.349 1.00852.18 N ATOM 40207 C4 A B1919 -813.263 -63.778 90.758 1.00852.18 C ATOM 40208 P A B1920 -812.211 -62.712 97.917 1.00852.18 P ATOM 40209 O1P A B1920 -810.899 -62.216 97.430 1.00852.18 O ATOM 40210 O2P A B1920 -812.284 -64.010 98.634 1.00852.18 O ATOM 40211 O5* A B1920 -812.856 -61.595 98.852 1.00852.18 O ATOM 40212 C5* A B1920 -812.598 -61.571 100.255 1.00852.18 C ATOM 40213 C4* A B1920 -813.007 -60.236 100.834 1.00852.18 C ATOM 40214 O4* A B1920 -812.239 -59.190 100.191 1.00852.18 O ATOM 40215 C3* A B1920 -814.456 -59.858 100.626 1.00852.18 C ATOM 40216 O3* A B1920 -815.231 -60.379 101.703 1.00852.18 O ATOM 40217 C2* A B1920 -814.425 -58.336 100.616 1.00852.18 C ATOM 40218 O2* A B1920 -814.481 -57.777 101.916 1.00852.18 O ATOM 40219 C1* A B1920 -813.056 -58.052 99.996 1.00852.18 C ATOM 40220 N9 A B1920 -813.113 -57.784 98.559 1.00852.18 N ATOM 40221 C8 A B1920 -813.204 -58.691 97.531 1.00852.18 C ATOM 40222 N7 A B1920 -813.248 -58.140 96.342 1.00852.18 N ATOM 40223 C5 A B1920 -813.181 -56.779 96.604 1.00852.18 C ATOM 40224 C6 A B1920 -813.202 -55.651 95.763 1.00852.18 C ATOM 40225 N6 A B1920 -813.315 -55.719 94.436 1.00852.18 N ATOM 40226 N1 A B1920 -813.114 -54.434 96.344 1.00852.18 N ATOM 40227 C2 A B1920 -813.028 -54.367 97.678 1.00852.18 C ATOM 40228 N3 A B1920 -813.012 -55.350 98.574 1.00852.18 N ATOM 40229 C4 A B1920 -813.090 -56.547 97.963 1.00852.18 C ATOM 40230 P A B1921 -816.788 -60.694 101.483 1.00852.18 P ATOM 40231 O1P A B1921 -817.379 -60.959 102.821 1.00852.18 O ATOM 40232 O2P A B1921 -816.908 -61.718 100.416 1.00852.18 O ATOM 40233 O5* A B1921 -817.394 -59.323 100.945 1.00852.18 O ATOM 40234 C5* A B1921 -818.134 -58.466 101.810 1.00852.18 C ATOM 40235 C4* A B1921 -819.139 -57.663 101.019 1.00852.18 C ATOM 40236 O4* A B1921 -820.004 -56.931 101.928 1.00852.18 O ATOM 40237 C3* A B1921 -818.602 -56.606 100.040 1.00852.18 C ATOM 40238 O3* A B1921 -818.221 -57.123 98.767 1.00852.18 O ATOM 40239 C2* A B1921 -819.785 -55.651 99.920 1.00852.18 C ATOM 40240 O2* A B1921 -820.747 -56.090 98.980 1.00852.18 O ATOM 40241 C1* A B1921 -820.394 -55.710 101.327 1.00852.18 C ATOM 40242 N9 A B1921 -819.996 -54.603 102.198 1.00852.18 N ATOM 40243 C8 A B1921 -818.803 -54.404 102.851 1.00852.18 C ATOM 40244 N7 A B1921 -818.769 -53.299 103.558 1.00852.18 N ATOM 40245 C5 A B1921 -820.022 -52.733 103.354 1.00852.18 C ATOM 40246 C6 A B1921 -820.615 -51.549 103.826 1.00852.18 C ATOM 40247 N6 A B1921 -820.002 -50.681 104.634 1.00852.18 N ATOM 40248 N1 A B1921 -821.880 -51.279 103.436 1.00852.18 N ATOM 40249 C2 A B1921 -822.496 -52.148 102.621 1.00852.18 C ATOM 40250 N3 A B1921 -822.044 -53.290 102.110 1.00852.18 N ATOM 40251 C4 A B1921 -820.785 -53.528 102.520 1.00852.18 C ATOM 40252 P U B1922 -816.913 -56.553 98.021 1.00852.18 P ATOM 40253 O1P U B1922 -816.203 -57.723 97.445 1.00852.18 O ATOM 40254 O2P U B1922 -816.195 -55.643 98.950 1.00852.18 O ATOM 40255 O5* U B1922 -817.484 -55.688 96.809 1.00852.18 O ATOM 40256 C5* U B1922 -816.652 -54.764 96.112 1.00852.18 C ATOM 40257 C4* U B1922 -817.371 -54.238 94.893 1.00852.18 C ATOM 40258 O4* U B1922 -816.675 -53.073 94.384 1.00852.18 O ATOM 40259 C3* U B1922 -817.505 -55.195 93.712 1.00852.18 C ATOM 40260 O3* U B1922 -818.660 -56.023 93.829 1.00852.18 O ATOM 40261 C2* U B1922 -817.605 -54.246 92.521 1.00852.18 C ATOM 40262 O2* U B1922 -818.924 -53.786 92.320 1.00852.18 O ATOM 40263 C1* U B1922 -816.734 -53.068 92.973 1.00852.18 C ATOM 40264 N1 U B1922 -815.360 -53.065 92.448 1.00852.18 N ATOM 40265 C2 U B1922 -815.194 -52.997 91.076 1.00852.18 C ATOM 40266 O2 U B1922 -816.125 -52.941 90.305 1.00852.18 O ATOM 40267 N3 U B1922 -813.891 -52.994 90.645 1.00852.18 N ATOM 40268 C4 U B1922 -812.764 -53.046 91.429 1.00852.18 C ATOM 40269 O4 U B1922 -811.654 -53.046 90.896 1.00852.18 O ATOM 40270 C5 U B1922 -813.021 -53.111 92.832 1.00852.18 C ATOM 40271 C6 U B1922 -814.275 -53.123 93.284 1.00852.18 C ATOM 40272 P U B1923 -818.995 -57.112 92.694 1.00852.18 P ATOM 40273 O1P U B1923 -819.578 -56.394 91.530 1.00852.18 O ATOM 40274 O2P U B1923 -819.763 -58.210 93.335 1.00852.18 O ATOM 40275 O5* U B1923 -817.575 -57.692 92.258 1.00852.18 O ATOM 40276 C5* U B1923 -817.452 -59.028 91.775 1.00852.18 C ATOM 40277 C4* U B1923 -817.466 -59.049 90.261 1.00852.18 C ATOM 40278 O4* U B1923 -816.330 -58.309 89.743 1.00852.18 O ATOM 40279 C3* U B1923 -817.385 -60.420 89.567 1.00852.18 C ATOM 40280 O3* U B1923 -818.662 -61.044 89.442 1.00852.18 O ATOM 40281 C2* U B1923 -816.848 -60.054 88.183 1.00852.18 C ATOM 40282 O2* U B1923 -817.871 -59.666 87.291 1.00852.18 O ATOM 40283 C1* U B1923 -815.967 -58.835 88.481 1.00852.18 C ATOM 40284 N1 U B1923 -814.504 -59.011 88.434 1.00852.18 N ATOM 40285 C2 U B1923 -813.784 -58.369 87.433 1.00852.18 C ATOM 40286 O2 U B1923 -814.303 -57.693 86.563 1.00852.18 O ATOM 40287 N3 U B1923 -812.423 -58.551 87.493 1.00852.18 N ATOM 40288 C4 U B1923 -811.721 -59.290 88.426 1.00852.18 C ATOM 40289 O4 U B1923 -810.490 -59.342 88.357 1.00852.18 O ATOM 40290 C5 U B1923 -812.532 -59.930 89.408 1.00852.18 C ATOM 40291 C6 U B1923 -813.864 -59.775 89.379 1.00852.18 C ATOM 40292 P C B1924 -818.829 -62.367 88.551 1.00852.18 P ATOM 40293 O1P C B1924 -819.936 -63.160 89.147 1.00852.18 O ATOM 40294 O2P C B1924 -817.496 -62.992 88.370 1.00852.18 O ATOM 40295 O5* C B1924 -819.331 -61.823 87.138 1.00852.18 O ATOM 40296 C5* C B1924 -820.507 -61.025 87.041 1.00852.18 C ATOM 40297 C4* C B1924 -820.794 -60.676 85.596 1.00852.18 C ATOM 40298 O4* C B1924 -819.992 -59.530 85.213 1.00852.18 O ATOM 40299 C3* C B1924 -820.440 -61.695 84.518 1.00852.18 C ATOM 40300 O3* C B1924 -821.457 -62.680 84.367 1.00852.18 O ATOM 40301 C2* C B1924 -820.299 -60.855 83.250 1.00852.18 C ATOM 40302 O2* C B1924 -821.529 -60.683 82.574 1.00852.18 O ATOM 40303 C1* C B1924 -819.835 -59.506 83.806 1.00852.18 C ATOM 40304 N1 C B1924 -818.437 -59.171 83.499 1.00852.18 N ATOM 40305 C2 C B1924 -818.100 -58.839 82.181 1.00852.18 C ATOM 40306 O2 C B1924 -818.987 -58.853 81.312 1.00852.18 O ATOM 40307 N3 C B1924 -816.820 -58.517 81.887 1.00852.18 N ATOM 40308 C4 C B1924 -815.895 -58.515 82.847 1.00852.18 C ATOM 40309 N4 C B1924 -814.643 -58.184 82.512 1.00852.18 N ATOM 40310 C5 C B1924 -816.208 -58.853 84.196 1.00852.18 C ATOM 40311 C6 C B1924 -817.478 -59.173 84.476 1.00852.18 C ATOM 40312 P C B1925 -821.059 -64.232 84.243 1.00852.18 P ATOM 40313 O1P C B1925 -822.239 -64.956 83.708 1.00852.18 O ATOM 40314 O2P C B1925 -820.453 -64.668 85.530 1.00852.18 O ATOM 40315 O5* C B1925 -819.920 -64.253 83.131 1.00852.18 O ATOM 40316 C5* C B1925 -820.196 -63.876 81.783 1.00852.18 C ATOM 40317 C4* C B1925 -818.902 -63.628 81.055 1.00852.18 C ATOM 40318 O4* C B1925 -818.306 -62.398 81.538 1.00852.18 O ATOM 40319 C3* C B1925 -817.818 -64.709 81.252 1.00852.18 C ATOM 40320 O3* C B1925 -817.948 -65.829 80.385 1.00852.18 O ATOM 40321 C2* C B1925 -816.523 -63.920 81.045 1.00852.18 C ATOM 40322 O2* C B1925 -816.000 -63.836 79.745 1.00852.18 O ATOM 40323 C1* C B1925 -816.896 -62.524 81.541 1.00852.18 C ATOM 40324 N1 C B1925 -816.391 -62.311 82.897 1.00852.18 N ATOM 40325 C2 C B1925 -815.105 -61.802 83.048 1.00852.18 C ATOM 40326 O2 C B1925 -814.458 -61.493 82.036 1.00852.18 O ATOM 40327 N3 C B1925 -814.595 -61.655 84.291 1.00852.18 N ATOM 40328 C4 C B1925 -815.332 -61.990 85.353 1.00852.18 C ATOM 40329 N4 C B1925 -814.782 -61.851 86.559 1.00852.18 N ATOM 40330 C5 C B1925 -816.661 -62.486 85.224 1.00852.18 C ATOM 40331 C6 C B1925 -817.150 -62.623 83.987 1.00852.18 C ATOM 40332 P U B1926 -818.476 -67.229 80.958 1.00852.18 P ATOM 40333 O1P U B1926 -817.471 -68.261 80.594 1.00852.18 O ATOM 40334 O2P U B1926 -819.890 -67.403 80.534 1.00852.18 O ATOM 40335 O5* U B1926 -818.447 -67.019 82.537 1.00852.18 O ATOM 40336 C5* U B1926 -819.230 -67.840 83.390 1.00852.18 C ATOM 40337 C4* U B1926 -818.452 -68.169 84.637 1.00852.18 C ATOM 40338 O4* U B1926 -817.069 -68.398 84.271 1.00852.18 O ATOM 40339 C3* U B1926 -818.377 -67.124 85.750 1.00852.18 C ATOM 40340 O3* U B1926 -819.540 -67.172 86.575 1.00852.18 O ATOM 40341 C2* U B1926 -817.096 -67.512 86.486 1.00852.18 C ATOM 40342 O2* U B1926 -817.308 -68.548 87.423 1.00852.18 O ATOM 40343 C1* U B1926 -816.223 -68.040 85.344 1.00852.18 C ATOM 40344 N1 U B1926 -815.227 -67.087 84.833 1.00852.18 N ATOM 40345 C2 U B1926 -813.890 -67.406 84.981 1.00852.18 C ATOM 40346 O2 U B1926 -813.511 -68.420 85.537 1.00852.18 O ATOM 40347 N3 U B1926 -813.016 -66.488 84.453 1.00852.18 N ATOM 40348 C4 U B1926 -813.330 -65.310 83.809 1.00852.18 C ATOM 40349 O4 U B1926 -812.427 -64.607 83.355 1.00852.18 O ATOM 40350 C5 U B1926 -814.732 -65.043 83.711 1.00852.18 C ATOM 40351 C6 U B1926 -815.611 -65.919 84.214 1.00852.18 C ATOM 40352 P U B1927 -819.535 -66.466 88.021 1.00852.18 P ATOM 40353 O1P U B1927 -820.946 -66.141 88.352 1.00852.18 O ATOM 40354 O2P U B1927 -818.514 -65.392 88.033 1.00852.18 O ATOM 40355 O5* U B1927 -819.057 -67.630 89.001 1.00852.18 O ATOM 40356 C5* U B1927 -818.833 -67.373 90.384 1.00852.18 C ATOM 40357 C4* U B1927 -818.217 -68.581 91.053 1.00852.18 C ATOM 40358 O4* U B1927 -819.045 -69.749 90.843 1.00852.18 O ATOM 40359 C3* U B1927 -816.826 -68.990 90.556 1.00852.18 C ATOM 40360 O3* U B1927 -815.802 -68.245 91.210 1.00852.18 O ATOM 40361 C2* U B1927 -816.760 -70.473 90.925 1.00852.18 C ATOM 40362 O2* U B1927 -816.316 -70.686 92.247 1.00852.18 O ATOM 40363 C1* U B1927 -818.229 -70.906 90.812 1.00852.18 C ATOM 40364 N1 U B1927 -818.621 -71.730 89.658 1.00852.18 N ATOM 40365 C2 U B1927 -819.053 -73.029 89.883 1.00852.18 C ATOM 40366 O2 U B1927 -819.096 -73.537 90.993 1.00852.18 O ATOM 40367 N3 U B1927 -819.438 -73.716 88.756 1.00852.18 N ATOM 40368 C4 U B1927 -819.430 -73.248 87.459 1.00852.18 C ATOM 40369 O4 U B1927 -819.840 -73.975 86.551 1.00852.18 O ATOM 40370 C5 U B1927 -818.955 -71.909 87.308 1.00852.18 C ATOM 40371 C6 U B1927 -818.574 -71.214 88.385 1.00852.18 C ATOM 40372 P G B1928 -814.606 -67.586 90.359 1.00852.18 P ATOM 40373 O1P G B1928 -813.867 -66.693 91.284 1.00852.18 O ATOM 40374 O2P G B1928 -815.168 -67.036 89.100 1.00852.18 O ATOM 40375 O5* G B1928 -813.644 -68.803 89.994 1.00852.18 O ATOM 40376 C5* G B1928 -813.609 -69.347 88.677 1.00852.18 C ATOM 40377 C4* G B1928 -812.245 -69.123 88.064 1.00852.18 C ATOM 40378 O4* G B1928 -811.781 -67.783 88.365 1.00852.18 O ATOM 40379 C3* G B1928 -811.121 -70.048 88.497 1.00852.18 C ATOM 40380 O3* G B1928 -811.159 -71.231 87.710 1.00852.18 O ATOM 40381 C2* G B1928 -809.871 -69.211 88.244 1.00852.18 C ATOM 40382 O2* G B1928 -809.435 -69.280 86.900 1.00852.18 O ATOM 40383 C1* G B1928 -810.376 -67.797 88.542 1.00852.18 C ATOM 40384 N9 G B1928 -810.083 -67.340 89.898 1.00852.18 N ATOM 40385 C8 G B1928 -810.925 -67.380 90.986 1.00852.18 C ATOM 40386 N7 G B1928 -810.397 -66.862 92.061 1.00852.18 N ATOM 40387 C5 G B1928 -809.128 -66.463 91.663 1.00852.18 C ATOM 40388 C6 G B1928 -808.095 -65.821 92.394 1.00852.18 C ATOM 40389 O6 G B1928 -808.092 -65.465 93.579 1.00852.18 O ATOM 40390 N1 G B1928 -806.972 -65.598 91.602 1.00852.18 N ATOM 40391 C2 G B1928 -806.861 -65.942 90.279 1.00852.18 C ATOM 40392 N2 G B1928 -805.693 -65.645 89.685 1.00852.18 N ATOM 40393 N3 G B1928 -807.816 -66.535 89.584 1.00852.18 N ATOM 40394 C4 G B1928 -808.914 -66.763 90.335 1.00852.18 C ATOM 40395 P U B1929 -810.390 -72.546 88.218 1.00852.18 P ATOM 40396 O1P U B1929 -810.401 -73.529 87.103 1.00852.18 O ATOM 40397 O2P U B1929 -810.949 -72.935 89.540 1.00852.18 O ATOM 40398 O5* U B1929 -808.889 -72.056 88.433 1.00852.18 O ATOM 40399 C5* U B1929 -808.008 -71.905 87.326 1.00852.18 C ATOM 40400 C4* U B1929 -806.683 -71.332 87.778 1.00852.18 C ATOM 40401 O4* U B1929 -806.899 -70.051 88.426 1.00852.18 O ATOM 40402 C3* U B1929 -805.985 -72.158 88.837 1.00852.18 C ATOM 40403 O3* U B1929 -805.225 -73.205 88.254 1.00852.18 O ATOM 40404 C2* U B1929 -805.090 -71.136 89.534 1.00852.18 C ATOM 40405 O2* U B1929 -803.873 -70.923 88.849 1.00852.18 O ATOM 40406 C1* U B1929 -805.950 -69.876 89.463 1.00852.18 C ATOM 40407 N1 U B1929 -806.677 -69.647 90.723 1.00852.18 N ATOM 40408 C2 U B1929 -806.017 -68.969 91.731 1.00852.18 C ATOM 40409 O2 U B1929 -804.879 -68.546 91.606 1.00852.18 O ATOM 40410 N3 U B1929 -806.739 -68.805 92.888 1.00852.18 N ATOM 40411 C4 U B1929 -808.027 -69.243 93.128 1.00852.18 C ATOM 40412 O4 U B1929 -808.539 -69.037 94.227 1.00852.18 O ATOM 40413 C5 U B1929 -808.640 -69.929 92.034 1.00852.18 C ATOM 40414 C6 U B1929 -807.963 -70.102 90.897 1.00852.18 C ATOM 40415 P C B1930 -805.194 -74.647 88.964 1.00852.18 P ATOM 40416 O1P C B1930 -804.750 -75.635 87.947 1.00852.18 O ATOM 40417 O2P C B1930 -806.494 -74.847 89.657 1.00852.18 O ATOM 40418 O5* C B1930 -804.051 -74.510 90.065 1.00852.18 O ATOM 40419 C5* C B1930 -804.061 -75.318 91.240 1.00852.18 C ATOM 40420 C4* C B1930 -802.916 -74.936 92.153 1.00852.18 C ATOM 40421 O4* C B1930 -802.848 -73.486 92.269 1.00852.18 O ATOM 40422 C3* C B1930 -803.078 -75.428 93.572 1.00852.18 C ATOM 40423 O3* C B1930 -802.563 -76.744 93.711 1.00852.18 O ATOM 40424 C2* C B1930 -802.283 -74.414 94.385 1.00852.18 C ATOM 40425 O2* C B1930 -800.896 -74.692 94.392 1.00852.18 O ATOM 40426 C1* C B1930 -802.551 -73.122 93.611 1.00852.18 C ATOM 40427 N1 C B1930 -803.725 -72.422 94.157 1.00852.18 N ATOM 40428 C2 C B1930 -803.614 -71.724 95.374 1.00852.18 C ATOM 40429 O2 C B1930 -802.524 -71.694 95.965 1.00852.18 O ATOM 40430 N3 C B1930 -804.704 -71.103 95.877 1.00852.18 N ATOM 40431 C4 C B1930 -805.865 -71.161 95.220 1.00852.18 C ATOM 40432 N4 C B1930 -806.917 -70.543 95.752 1.00852.18 N ATOM 40433 C5 C B1930 -806.003 -71.855 93.987 1.00852.18 C ATOM 40434 C6 C B1930 -804.917 -72.463 93.495 1.00852.18 C ATOM 40435 P G B1931 -803.378 -77.822 94.581 1.00852.18 P ATOM 40436 O1P G B1931 -802.608 -79.091 94.567 1.00852.18 O ATOM 40437 O2P G B1931 -804.791 -77.814 94.125 1.00852.18 O ATOM 40438 O5* G B1931 -803.328 -77.229 96.060 1.00852.18 O ATOM 40439 C5* G B1931 -802.137 -77.312 96.837 1.00852.18 C ATOM 40440 C4* G B1931 -802.305 -76.570 98.145 1.00852.18 C ATOM 40441 O4* G B1931 -802.566 -75.163 97.904 1.00852.18 O ATOM 40442 C3* G B1931 -803.443 -76.992 99.073 1.00852.18 C ATOM 40443 O3* G B1931 -803.179 -78.170 99.822 1.00852.18 O ATOM 40444 C2* G B1931 -803.610 -75.767 99.961 1.00852.18 C ATOM 40445 O2* G B1931 -802.685 -75.737 101.029 1.00852.18 O ATOM 40446 C1* G B1931 -803.305 -74.625 98.987 1.00852.18 C ATOM 40447 N9 G B1931 -804.514 -74.003 98.463 1.00852.18 N ATOM 40448 C8 G B1931 -805.069 -74.179 97.219 1.00852.18 C ATOM 40449 N7 G B1931 -806.161 -73.486 97.043 1.00852.18 N ATOM 40450 C5 G B1931 -806.338 -72.809 98.244 1.00852.18 C ATOM 40451 C6 G B1931 -807.352 -71.902 98.648 1.00852.18 C ATOM 40452 O6 G B1931 -808.326 -71.496 98.004 1.00852.18 O ATOM 40453 N1 G B1931 -807.148 -71.458 99.951 1.00852.18 N ATOM 40454 C2 G B1931 -806.105 -71.833 100.761 1.00852.18 C ATOM 40455 N2 G B1931 -806.084 -71.295 101.989 1.00852.18 N ATOM 40456 N3 G B1931 -805.151 -72.673 100.392 1.00852.18 N ATOM 40457 C4 G B1931 -805.330 -73.118 99.131 1.00852.18 C ATOM 40458 P G B1932 -804.387 -78.913 100.584 1.00852.18 P ATOM 40459 O1P G B1932 -803.871 -80.216 101.072 1.00852.18 O ATOM 40460 O2P G B1932 -805.576 -78.881 99.697 1.00852.18 O ATOM 40461 O5* G B1932 -804.675 -77.981 101.841 1.00852.18 O ATOM 40462 C5* G B1932 -803.709 -77.831 102.877 1.00852.18 C ATOM 40463 C4* G B1932 -804.371 -77.350 104.147 1.00852.18 C ATOM 40464 O4* G B1932 -804.762 -75.962 103.996 1.00852.18 O ATOM 40465 C3* G B1932 -805.646 -78.059 104.531 1.00852.18 C ATOM 40466 O3* G B1932 -805.337 -79.251 105.247 1.00852.18 O ATOM 40467 C2* G B1932 -806.376 -77.027 105.384 1.00852.18 C ATOM 40468 O2* G B1932 -805.952 -77.021 106.730 1.00852.18 O ATOM 40469 C1* G B1932 -805.954 -75.716 104.719 1.00852.18 C ATOM 40470 N9 G B1932 -806.957 -75.216 103.785 1.00852.18 N ATOM 40471 C8 G B1932 -806.960 -75.367 102.420 1.00852.18 C ATOM 40472 N7 G B1932 -807.997 -74.823 101.846 1.00852.18 N ATOM 40473 C5 G B1932 -808.722 -74.276 102.894 1.00852.18 C ATOM 40474 C6 G B1932 -809.946 -73.557 102.888 1.00852.18 C ATOM 40475 O6 G B1932 -810.660 -73.257 101.922 1.00852.18 O ATOM 40476 N1 G B1932 -810.327 -73.183 104.173 1.00852.18 N ATOM 40477 C2 G B1932 -809.623 -73.461 105.316 1.00852.18 C ATOM 40478 N2 G B1932 -810.158 -73.007 106.459 1.00852.18 N ATOM 40479 N3 G B1932 -808.480 -74.131 105.337 1.00852.18 N ATOM 40480 C4 G B1932 -808.093 -74.506 104.098 1.00852.18 C ATOM 40481 P G B1933 -806.441 -80.418 105.357 1.00852.18 P ATOM 40482 O1P G B1933 -805.954 -81.411 106.344 1.00852.18 O ATOM 40483 O2P G B1933 -806.785 -80.853 103.980 1.00852.18 O ATOM 40484 O5* G B1933 -807.717 -79.691 105.971 1.00852.18 O ATOM 40485 C5* G B1933 -807.838 -79.447 107.374 1.00852.18 C ATOM 40486 C4* G B1933 -809.291 -79.284 107.739 1.00852.18 C ATOM 40487 O4* G B1933 -809.712 -77.944 107.382 1.00852.18 O ATOM 40488 C3* G B1933 -810.190 -80.188 106.915 1.00852.18 C ATOM 40489 O3* G B1933 -810.297 -81.506 107.433 1.00852.18 O ATOM 40490 C2* G B1933 -811.506 -79.425 106.906 1.00852.18 C ATOM 40491 O2* G B1933 -812.258 -79.619 108.088 1.00852.18 O ATOM 40492 C1* G B1933 -811.016 -77.978 106.823 1.00852.18 C ATOM 40493 N9 G B1933 -810.892 -77.522 105.444 1.00852.18 N ATOM 40494 C8 G B1933 -809.758 -77.577 104.671 1.00852.18 C ATOM 40495 N7 G B1933 -809.935 -77.113 103.464 1.00852.18 N ATOM 40496 C5 G B1933 -811.267 -76.722 103.439 1.00852.18 C ATOM 40497 C6 G B1933 -812.030 -76.148 102.396 1.00852.18 C ATOM 40498 O6 G B1933 -811.675 -75.866 101.245 1.00852.18 O ATOM 40499 N1 G B1933 -813.340 -75.908 102.797 1.00852.18 N ATOM 40500 C2 G B1933 -813.847 -76.180 104.041 1.00852.18 C ATOM 40501 N2 G B1933 -815.136 -75.867 104.235 1.00852.18 N ATOM 40502 N3 G B1933 -813.146 -76.721 105.025 1.00852.18 N ATOM 40503 C4 G B1933 -811.871 -76.965 104.656 1.00852.18 C ATOM 40504 P U B1934 -809.465 -82.693 106.743 1.00852.18 P ATOM 40505 O1P U B1934 -808.466 -83.179 107.730 1.00852.18 O ATOM 40506 O2P U B1934 -809.011 -82.230 105.409 1.00852.18 O ATOM 40507 O5* U B1934 -810.550 -83.838 106.528 1.00852.18 O ATOM 40508 C5* U B1934 -811.228 -84.418 107.638 1.00852.18 C ATOM 40509 C4* U B1934 -812.695 -84.585 107.321 1.00852.18 C ATOM 40510 O4* U B1934 -813.347 -83.286 107.321 1.00852.18 O ATOM 40511 C3* U B1934 -812.955 -85.127 105.930 1.00852.18 C ATOM 40512 O3* U B1934 -812.837 -86.539 105.842 1.00852.18 O ATOM 40513 C2* U B1934 -814.360 -84.622 105.631 1.00852.18 C ATOM 40514 O2* U B1934 -815.364 -85.438 106.206 1.00852.18 O ATOM 40515 C1* U B1934 -814.347 -83.254 106.317 1.00852.18 C ATOM 40516 N1 U B1934 -814.004 -82.187 105.366 1.00852.18 N ATOM 40517 C2 U B1934 -815.024 -81.373 104.909 1.00852.18 C ATOM 40518 O2 U B1934 -816.176 -81.489 105.278 1.00852.18 O ATOM 40519 N3 U B1934 -814.642 -80.421 104.000 1.00852.18 N ATOM 40520 C4 U B1934 -813.370 -80.196 103.516 1.00852.18 C ATOM 40521 O4 U B1934 -813.184 -79.306 102.685 1.00852.18 O ATOM 40522 C5 U B1934 -812.369 -81.068 104.048 1.00852.18 C ATOM 40523 C6 U B1934 -812.710 -82.008 104.932 1.00852.18 C ATOM 40524 P A B1935 -811.867 -87.175 104.733 1.00852.18 P ATOM 40525 O1P A B1935 -811.908 -88.651 104.885 1.00852.18 O ATOM 40526 O2P A B1935 -810.561 -86.468 104.800 1.00852.18 O ATOM 40527 O5* A B1935 -812.569 -86.789 103.357 1.00852.18 O ATOM 40528 C5* A B1935 -812.119 -87.324 102.115 1.00852.18 C ATOM 40529 C4* A B1935 -813.027 -86.862 101.002 1.00852.18 C ATOM 40530 O4* A B1935 -814.369 -87.339 101.257 1.00852.18 O ATOM 40531 C3* A B1935 -813.203 -85.369 100.766 1.00852.18 C ATOM 40532 O3* A B1935 -812.128 -84.832 99.998 1.00852.18 O ATOM 40533 C2* A B1935 -814.540 -85.297 100.032 1.00852.18 C ATOM 40534 O2* A B1935 -814.411 -85.513 98.642 1.00852.18 O ATOM 40535 C1* A B1935 -815.306 -86.464 100.661 1.00852.18 C ATOM 40536 N9 A B1935 -816.272 -86.082 101.691 1.00852.18 N ATOM 40537 C8 A B1935 -816.024 -85.796 103.011 1.00852.18 C ATOM 40538 N7 A B1935 -817.100 -85.527 103.706 1.00852.18 N ATOM 40539 C5 A B1935 -818.129 -85.636 102.781 1.00852.18 C ATOM 40540 C6 A B1935 -819.520 -85.474 102.889 1.00852.18 C ATOM 40541 N6 A B1935 -820.148 -85.172 104.029 1.00852.18 N ATOM 40542 N1 A B1935 -820.261 -85.638 101.772 1.00852.18 N ATOM 40543 C2 A B1935 -819.628 -85.942 100.632 1.00852.18 C ATOM 40544 N3 A B1935 -818.337 -86.136 100.407 1.00852.18 N ATOM 40545 C4 A B1935 -817.629 -85.962 101.534 1.00852.18 C ATOM 40546 P A B1936 -811.816 -83.255 100.047 1.00852.18 P ATOM 40547 O1P A B1936 -810.558 -83.033 99.287 1.00852.18 O ATOM 40548 O2P A B1936 -811.907 -82.807 101.459 1.00852.18 O ATOM 40549 O5* A B1936 -813.009 -82.594 99.227 1.00852.18 O ATOM 40550 C5* A B1936 -813.148 -82.819 97.827 1.00852.18 C ATOM 40551 C4* A B1936 -814.548 -82.468 97.382 1.00852.18 C ATOM 40552 O4* A B1936 -815.508 -83.237 98.148 1.00852.18 O ATOM 40553 C3* A B1936 -814.956 -81.013 97.575 1.00852.18 C ATOM 40554 O3* A B1936 -814.550 -80.236 96.454 1.00852.18 O ATOM 40555 C2* A B1936 -816.472 -81.102 97.708 1.00852.18 C ATOM 40556 O2* A B1936 -817.128 -81.128 96.460 1.00852.18 O ATOM 40557 C1* A B1936 -816.652 -82.447 98.414 1.00852.18 C ATOM 40558 N9 A B1936 -816.797 -82.328 99.863 1.00852.18 N ATOM 40559 C8 A B1936 -815.808 -82.130 100.793 1.00852.18 C ATOM 40560 N7 A B1936 -816.244 -82.056 102.026 1.00852.18 N ATOM 40561 C5 A B1936 -817.617 -82.222 101.901 1.00852.18 C ATOM 40562 C6 A B1936 -818.654 -82.242 102.848 1.00852.18 C ATOM 40563 N6 A B1936 -818.464 -82.090 104.160 1.00852.18 N ATOM 40564 N1 A B1936 -819.912 -82.426 102.394 1.00852.18 N ATOM 40565 C2 A B1936 -820.102 -82.579 101.076 1.00852.18 C ATOM 40566 N3 A B1936 -819.209 -82.579 100.090 1.00852.18 N ATOM 40567 C4 A B1936 -817.970 -82.390 100.574 1.00852.18 C ATOM 40568 P G B1937 -814.101 -78.707 96.663 1.00852.18 P ATOM 40569 O1P G B1937 -813.030 -78.418 95.672 1.00852.18 O ATOM 40570 O2P G B1937 -813.836 -78.494 98.108 1.00852.18 O ATOM 40571 O5* G B1937 -815.389 -77.860 96.261 1.00852.18 O ATOM 40572 C5* G B1937 -816.009 -78.015 94.987 1.00852.18 C ATOM 40573 C4* G B1937 -817.347 -77.316 94.976 1.00852.18 C ATOM 40574 O4* G B1937 -818.123 -77.753 96.119 1.00852.18 O ATOM 40575 C3* G B1937 -817.377 -75.789 95.059 1.00852.18 C ATOM 40576 O3* G B1937 -817.164 -75.197 93.776 1.00852.18 O ATOM 40577 C2* G B1937 -818.763 -75.505 95.625 1.00852.18 C ATOM 40578 O2* G B1937 -819.762 -75.460 94.624 1.00852.18 O ATOM 40579 C1* G B1937 -818.999 -76.722 96.525 1.00852.18 C ATOM 40580 N9 G B1937 -818.791 -76.498 97.954 1.00852.18 N ATOM 40581 C8 G B1937 -818.203 -77.359 98.850 1.00852.18 C ATOM 40582 N7 G B1937 -818.202 -76.901 100.072 1.00852.18 N ATOM 40583 C5 G B1937 -818.813 -75.658 99.977 1.00852.18 C ATOM 40584 C6 G B1937 -819.097 -74.693 100.978 1.00852.18 C ATOM 40585 O6 G B1937 -818.866 -74.750 102.191 1.00852.18 O ATOM 40586 N1 G B1937 -819.722 -73.572 100.442 1.00852.18 N ATOM 40587 C2 G B1937 -820.033 -73.402 99.118 1.00852.18 C ATOM 40588 N2 G B1937 -820.635 -72.249 98.794 1.00852.18 N ATOM 40589 N3 G B1937 -819.777 -74.293 98.178 1.00852.18 N ATOM 40590 C4 G B1937 -819.169 -75.389 98.674 1.00852.18 C ATOM 40591 P U B1938 -816.697 -73.662 93.667 1.00852.18 P ATOM 40592 O1P U B1938 -816.743 -73.285 92.234 1.00852.18 O ATOM 40593 O2P U B1938 -815.432 -73.497 94.427 1.00852.18 O ATOM 40594 O5* U B1938 -817.842 -72.852 94.425 1.00852.18 O ATOM 40595 C5* U B1938 -819.084 -72.540 93.785 1.00852.18 C ATOM 40596 C4* U B1938 -819.403 -71.075 93.979 1.00852.18 C ATOM 40597 O4* U B1938 -820.421 -70.645 93.037 1.00852.18 O ATOM 40598 C3* U B1938 -819.909 -70.709 95.373 1.00852.18 C ATOM 40599 O3* U B1938 -818.884 -70.481 96.341 1.00852.18 O ATOM 40600 C2* U B1938 -820.899 -69.569 95.129 1.00852.18 C ATOM 40601 O2* U B1938 -820.358 -68.266 95.151 1.00852.18 O ATOM 40602 C1* U B1938 -821.403 -69.878 93.715 1.00852.18 C ATOM 40603 N1 U B1938 -822.697 -70.580 93.647 1.00852.18 N ATOM 40604 C2 U B1938 -823.820 -69.888 94.070 1.00852.18 C ATOM 40605 O2 U B1938 -823.768 -68.754 94.510 1.00852.18 O ATOM 40606 N3 U B1938 -825.000 -70.578 93.959 1.00852.18 N ATOM 40607 C4 U B1938 -825.171 -71.861 93.485 1.00852.18 C ATOM 40608 O4 U B1938 -826.308 -72.335 93.418 1.00852.18 O ATOM 40609 C5 U B1938 -823.965 -72.513 93.080 1.00852.18 C ATOM 40610 C6 U B1938 -822.795 -71.868 93.175 1.00852.18 C ATOM 40611 P U B1939 -817.672 -69.464 96.027 1.00852.18 P ATOM 40612 O1P U B1939 -818.003 -68.634 94.842 1.00852.18 O ATOM 40613 O2P U B1939 -816.421 -70.262 96.025 1.00852.18 O ATOM 40614 O5* U B1939 -817.630 -68.523 97.312 1.00852.18 O ATOM 40615 C5* U B1939 -818.810 -67.890 97.792 1.00852.18 C ATOM 40616 C4* U B1939 -819.084 -68.314 99.213 1.00852.18 C ATOM 40617 O4* U B1939 -819.277 -69.752 99.274 1.00852.18 O ATOM 40618 C3* U B1939 -817.986 -68.025 100.217 1.00852.18 C ATOM 40619 O3* U B1939 -818.076 -66.689 100.688 1.00852.18 O ATOM 40620 C2* U B1939 -818.251 -69.056 101.308 1.00852.18 C ATOM 40621 O2* U B1939 -819.259 -68.648 102.210 1.00852.18 O ATOM 40622 C1* U B1939 -818.743 -70.251 100.490 1.00852.18 C ATOM 40623 N1 U B1939 -817.652 -71.186 100.176 1.00852.18 N ATOM 40624 C2 U B1939 -817.160 -71.960 101.208 1.00852.18 C ATOM 40625 O2 U B1939 -817.608 -71.914 102.340 1.00852.18 O ATOM 40626 N3 U B1939 -816.124 -72.793 100.867 1.00852.18 N ATOM 40627 C4 U B1939 -815.547 -72.932 99.623 1.00852.18 C ATOM 40628 O4 U B1939 -814.598 -73.706 99.479 1.00852.18 O ATOM 40629 C5 U B1939 -816.119 -72.107 98.604 1.00852.18 C ATOM 40630 C6 U B1939 -817.130 -71.280 98.907 1.00852.18 C ATOM 40631 P C B1940 -816.820 -66.039 101.452 1.00852.18 P ATOM 40632 O1P C B1940 -817.189 -64.643 101.806 1.00852.18 O ATOM 40633 O2P C B1940 -815.607 -66.293 100.636 1.00852.18 O ATOM 40634 O5* C B1940 -816.709 -66.890 102.798 1.00852.18 O ATOM 40635 C5* C B1940 -816.840 -66.255 104.065 1.00852.18 C ATOM 40636 C4* C B1940 -815.622 -66.508 104.925 1.00852.18 C ATOM 40637 O4* C B1940 -815.581 -67.891 105.366 1.00852.18 O ATOM 40638 C3* C B1940 -814.272 -66.262 104.263 1.00852.18 C ATOM 40639 O3* C B1940 -813.881 -64.896 104.310 1.00852.18 O ATOM 40640 C2* C B1940 -813.335 -67.122 105.106 1.00852.18 C ATOM 40641 O2* C B1940 -812.915 -66.467 106.289 1.00852.18 O ATOM 40642 C1* C B1940 -814.230 -68.306 105.477 1.00852.18 C ATOM 40643 N1 C B1940 -814.012 -69.492 104.629 1.00852.18 N ATOM 40644 C2 C B1940 -813.141 -70.490 105.084 1.00852.18 C ATOM 40645 O2 C B1940 -812.589 -70.350 106.186 1.00852.18 O ATOM 40646 N3 C B1940 -812.923 -71.580 104.314 1.00852.18 N ATOM 40647 C4 C B1940 -813.535 -71.695 103.135 1.00852.18 C ATOM 40648 N4 C B1940 -813.289 -72.785 102.407 1.00852.18 N ATOM 40649 C5 C B1940 -814.429 -70.695 102.646 1.00852.18 C ATOM 40650 C6 C B1940 -814.634 -69.619 103.417 1.00852.18 C ATOM 40651 P C B1941 -812.984 -64.285 103.127 1.00852.18 P ATOM 40652 O1P C B1941 -813.209 -62.817 103.116 1.00852.18 O ATOM 40653 O2P C B1941 -813.232 -65.075 101.892 1.00852.18 O ATOM 40654 O5* C B1941 -811.485 -64.552 103.597 1.00852.18 O ATOM 40655 C5* C B1941 -811.132 -64.484 104.974 1.00852.18 C ATOM 40656 C4* C B1941 -810.038 -65.476 105.295 1.00852.18 C ATOM 40657 O4* C B1941 -810.358 -66.769 104.715 1.00852.18 O ATOM 40658 C3* C B1941 -808.696 -65.142 104.705 1.00852.18 C ATOM 40659 O3* C B1941 -808.013 -64.232 105.555 1.00852.18 O ATOM 40660 C2* C B1941 -807.996 -66.492 104.650 1.00852.18 C ATOM 40661 O2* C B1941 -807.417 -66.857 105.886 1.00852.18 O ATOM 40662 C1* C B1941 -809.162 -67.426 104.323 1.00852.18 C ATOM 40663 N1 C B1941 -809.217 -67.677 102.876 1.00852.18 N ATOM 40664 C2 C B1941 -808.437 -68.707 102.344 1.00852.18 C ATOM 40665 O2 C B1941 -807.754 -69.398 103.109 1.00852.18 O ATOM 40666 N3 C B1941 -808.444 -68.917 101.008 1.00852.18 N ATOM 40667 C4 C B1941 -809.196 -68.147 100.216 1.00852.18 C ATOM 40668 N4 C B1941 -809.165 -68.382 98.900 1.00852.18 N ATOM 40669 C5 C B1941 -810.011 -67.102 100.736 1.00852.18 C ATOM 40670 C6 C B1941 -809.995 -66.905 102.060 1.00852.18 C ATOM 40671 P G B1942 -806.830 -63.330 104.941 1.00852.18 P ATOM 40672 O1P G B1942 -806.205 -62.579 106.058 1.00852.18 O ATOM 40673 O2P G B1942 -807.374 -62.591 103.772 1.00852.18 O ATOM 40674 O5* G B1942 -805.779 -64.401 104.402 1.00852.18 O ATOM 40675 C5* G B1942 -804.888 -65.061 105.296 1.00852.18 C ATOM 40676 C4* G B1942 -803.769 -65.723 104.526 1.00852.18 C ATOM 40677 O4* G B1942 -804.210 -66.998 103.983 1.00852.18 O ATOM 40678 C3* G B1942 -803.258 -64.990 103.315 1.00852.18 C ATOM 40679 O3* G B1942 -802.355 -63.964 103.689 1.00852.18 O ATOM 40680 C2* G B1942 -802.585 -66.090 102.507 1.00852.18 C ATOM 40681 O2* G B1942 -801.275 -66.353 102.964 1.00852.18 O ATOM 40682 C1* G B1942 -803.498 -67.281 102.792 1.00852.18 C ATOM 40683 N9 G B1942 -804.469 -67.455 101.717 1.00852.18 N ATOM 40684 C8 G B1942 -805.616 -66.721 101.531 1.00852.18 C ATOM 40685 N7 G B1942 -806.280 -67.070 100.464 1.00852.18 N ATOM 40686 C5 G B1942 -805.532 -68.100 99.911 1.00852.18 C ATOM 40687 C6 G B1942 -805.757 -68.870 98.744 1.00852.18 C ATOM 40688 O6 G B1942 -806.678 -68.782 97.933 1.00852.18 O ATOM 40689 N1 G B1942 -804.758 -69.816 98.556 1.00852.18 N ATOM 40690 C2 G B1942 -803.678 -70.002 99.375 1.00852.18 C ATOM 40691 N2 G B1942 -802.830 -70.974 99.005 1.00852.18 N ATOM 40692 N3 G B1942 -803.449 -69.286 100.471 1.00852.18 N ATOM 40693 C4 G B1942 -804.413 -68.359 100.677 1.00852.18 C ATOM 40694 P A B1943 -802.356 -62.586 102.869 1.00852.18 P ATOM 40695 O1P A B1943 -801.912 -61.503 103.780 1.00852.18 O ATOM 40696 O2P A B1943 -803.663 -62.469 102.170 1.00852.18 O ATOM 40697 O5* A B1943 -801.234 -62.810 101.764 1.00852.18 O ATOM 40698 C5* A B1943 -801.361 -62.241 100.467 1.00852.18 C ATOM 40699 C4* A B1943 -800.844 -63.204 99.425 1.00852.18 C ATOM 40700 O4* A B1943 -801.631 -64.420 99.439 1.00852.18 O ATOM 40701 C3* A B1943 -800.933 -62.733 97.996 1.00852.18 C ATOM 40702 O3* A B1943 -799.789 -61.932 97.714 1.00852.18 O ATOM 40703 C2* A B1943 -800.926 -64.027 97.204 1.00852.18 C ATOM 40704 O2* A B1943 -799.619 -64.488 97.015 1.00852.18 O ATOM 40705 C1* A B1943 -801.673 -64.977 98.135 1.00852.18 C ATOM 40706 N9 A B1943 -803.068 -65.093 97.724 1.00852.18 N ATOM 40707 C8 A B1943 -804.078 -64.194 97.955 1.00852.18 C ATOM 40708 N7 A B1943 -805.226 -64.543 97.430 1.00852.18 N ATOM 40709 C5 A B1943 -804.955 -65.759 96.816 1.00852.18 C ATOM 40710 C6 A B1943 -805.764 -66.643 96.083 1.00852.18 C ATOM 40711 N6 A B1943 -807.052 -66.420 95.832 1.00852.18 N ATOM 40712 N1 A B1943 -805.192 -67.774 95.613 1.00852.18 N ATOM 40713 C2 A B1943 -803.895 -67.985 95.870 1.00852.18 C ATOM 40714 N3 A B1943 -803.031 -67.227 96.544 1.00852.18 N ATOM 40715 C4 A B1943 -803.633 -66.113 96.999 1.00852.18 C ATOM 40716 P C B1944 -799.891 -60.764 96.619 1.00852.18 P ATOM 40717 O1P C B1944 -798.685 -59.909 96.766 1.00852.18 O ATOM 40718 O2P C B1944 -801.240 -60.154 96.724 1.00852.18 O ATOM 40719 O5* C B1944 -799.789 -61.531 95.223 1.00852.18 O ATOM 40720 C5* C B1944 -798.688 -62.385 94.949 1.00852.18 C ATOM 40721 C4* C B1944 -799.012 -63.337 93.821 1.00852.18 C ATOM 40722 O4* C B1944 -800.094 -64.223 94.203 1.00852.18 O ATOM 40723 C3* C B1944 -799.451 -62.673 92.526 1.00852.18 C ATOM 40724 O3* C B1944 -798.317 -62.339 91.733 1.00852.18 O ATOM 40725 C2* C B1944 -800.293 -63.764 91.862 1.00852.18 C ATOM 40726 O2* C B1944 -799.508 -64.678 91.121 1.00852.18 O ATOM 40727 C1* C B1944 -800.893 -64.492 93.069 1.00852.18 C ATOM 40728 N1 C B1944 -802.299 -64.164 93.375 1.00852.18 N ATOM 40729 C2 C B1944 -803.298 -64.713 92.564 1.00852.18 C ATOM 40730 O2 C B1944 -802.968 -65.429 91.609 1.00852.18 O ATOM 40731 N3 C B1944 -804.595 -64.449 92.842 1.00852.18 N ATOM 40732 C4 C B1944 -804.909 -63.669 93.877 1.00852.18 C ATOM 40733 N4 C B1944 -806.205 -63.447 94.122 1.00852.18 N ATOM 40734 C5 C B1944 -803.910 -63.084 94.713 1.00852.18 C ATOM 40735 C6 C B1944 -802.629 -63.358 94.426 1.00852.18 C ATOM 40736 P C B1945 -797.983 -60.796 91.426 1.00852.18 P ATOM 40737 O1P C B1945 -796.694 -60.762 90.686 1.00852.18 O ATOM 40738 O2P C B1945 -798.127 -60.027 92.687 1.00852.18 O ATOM 40739 O5* C B1945 -799.141 -60.350 90.428 1.00852.18 O ATOM 40740 C5* C B1945 -799.156 -60.807 89.079 1.00852.18 C ATOM 40741 C4* C B1945 -800.541 -60.657 88.497 1.00852.18 C ATOM 40742 O4* C B1945 -801.494 -61.342 89.338 1.00852.18 O ATOM 40743 C3* C B1945 -801.094 -59.237 88.343 1.00852.18 C ATOM 40744 O3* C B1945 -800.648 -58.653 87.126 1.00852.18 O ATOM 40745 C2* C B1945 -802.605 -59.459 88.358 1.00852.18 C ATOM 40746 O2* C B1945 -803.123 -59.763 87.083 1.00852.18 O ATOM 40747 C1* C B1945 -802.746 -60.688 89.263 1.00852.18 C ATOM 40748 N1 C B1945 -803.227 -60.440 90.631 1.00852.18 N ATOM 40749 C2 C B1945 -804.585 -60.171 90.826 1.00852.18 C ATOM 40750 O2 C B1945 -805.331 -60.118 89.838 1.00852.18 O ATOM 40751 N3 C B1945 -805.049 -59.980 92.080 1.00852.18 N ATOM 40752 C4 C B1945 -804.212 -60.044 93.119 1.00852.18 C ATOM 40753 N4 C B1945 -804.719 -59.864 94.341 1.00852.18 N ATOM 40754 C5 C B1945 -802.821 -60.299 92.950 1.00852.18 C ATOM 40755 C6 C B1945 -802.377 -60.488 91.699 1.00852.18 C ATOM 40756 P U B1946 -801.210 -57.222 86.662 1.00852.18 P ATOM 40757 O1P U B1946 -800.122 -56.555 85.901 1.00852.18 O ATOM 40758 O2P U B1946 -801.805 -56.538 87.839 1.00852.18 O ATOM 40759 O5* U B1946 -802.375 -57.578 85.634 1.00852.18 O ATOM 40760 C5* U B1946 -802.156 -58.538 84.603 1.00852.18 C ATOM 40761 C4* U B1946 -803.422 -58.774 83.813 1.00852.18 C ATOM 40762 O4* U B1946 -803.189 -59.738 82.750 1.00852.18 O ATOM 40763 C3* U B1946 -804.592 -59.337 84.593 1.00852.18 C ATOM 40764 O3* U B1946 -805.315 -58.299 85.238 1.00852.18 O ATOM 40765 C2* U B1946 -805.440 -59.990 83.508 1.00852.18 C ATOM 40766 O2* U B1946 -806.296 -59.068 82.863 1.00852.18 O ATOM 40767 C1* U B1946 -804.381 -60.471 82.515 1.00852.18 C ATOM 40768 N1 U B1946 -804.094 -61.910 82.605 1.00852.18 N ATOM 40769 C2 U B1946 -804.879 -62.766 81.854 1.00852.18 C ATOM 40770 O2 U B1946 -805.780 -62.374 81.130 1.00852.18 O ATOM 40771 N3 U B1946 -804.573 -64.098 81.978 1.00852.18 N ATOM 40772 C4 U B1946 -803.582 -64.650 82.756 1.00852.18 C ATOM 40773 O4 U B1946 -803.429 -65.874 82.762 1.00852.18 O ATOM 40774 C5 U B1946 -802.811 -63.703 83.503 1.00852.18 C ATOM 40775 C6 U B1946 -803.084 -62.398 83.402 1.00852.18 C ATOM 40776 P G B1947 -805.982 -58.562 86.675 1.00852.18 P ATOM 40777 O1P G B1947 -805.496 -57.511 87.599 1.00852.18 O ATOM 40778 O2P G B1947 -805.767 -59.994 87.014 1.00852.18 O ATOM 40779 O5* G B1947 -807.546 -58.351 86.442 1.00852.18 O ATOM 40780 C5* G B1947 -808.124 -57.043 86.360 1.00852.18 C ATOM 40781 C4* G B1947 -809.099 -56.840 87.496 1.00852.18 C ATOM 40782 O4* G B1947 -808.381 -56.990 88.746 1.00852.18 O ATOM 40783 C3* G B1947 -809.761 -55.487 87.598 1.00852.18 C ATOM 40784 O3* G B1947 -810.913 -55.462 86.766 1.00852.18 O ATOM 40785 C2* G B1947 -810.096 -55.377 89.081 1.00852.18 C ATOM 40786 O2* G B1947 -811.299 -56.038 89.412 1.00852.18 O ATOM 40787 C1* G B1947 -808.916 -56.111 89.718 1.00852.18 C ATOM 40788 N9 G B1947 -807.831 -55.222 90.126 1.00852.18 N ATOM 40789 C8 G B1947 -806.804 -54.777 89.328 1.00852.18 C ATOM 40790 N7 G B1947 -805.958 -54.016 89.958 1.00852.18 N ATOM 40791 C5 G B1947 -806.455 -53.947 91.249 1.00852.18 C ATOM 40792 C6 G B1947 -805.957 -53.264 92.385 1.00852.18 C ATOM 40793 O6 G B1947 -804.938 -52.568 92.480 1.00852.18 O ATOM 40794 N1 G B1947 -806.774 -53.454 93.495 1.00852.18 N ATOM 40795 C2 G B1947 -807.921 -54.204 93.511 1.00852.18 C ATOM 40796 N2 G B1947 -808.571 -54.259 94.685 1.00852.18 N ATOM 40797 N3 G B1947 -808.397 -54.852 92.458 1.00852.18 N ATOM 40798 C4 G B1947 -807.620 -54.679 91.369 1.00852.18 C ATOM 40799 P C B1948 -811.771 -54.109 86.631 1.00852.18 P ATOM 40800 O1P C B1948 -810.931 -53.134 85.886 1.00852.18 O ATOM 40801 O2P C B1948 -812.299 -53.749 87.968 1.00852.18 O ATOM 40802 O5* C B1948 -812.997 -54.500 85.693 1.00852.18 O ATOM 40803 C5* C B1948 -812.809 -55.398 84.606 1.00852.18 C ATOM 40804 C4* C B1948 -814.054 -55.481 83.751 1.00852.18 C ATOM 40805 O4* C B1948 -815.160 -56.019 84.526 1.00852.18 O ATOM 40806 C3* C B1948 -814.556 -54.152 83.235 1.00852.18 C ATOM 40807 O3* C B1948 -813.875 -53.772 82.048 1.00852.18 O ATOM 40808 C2* C B1948 -816.031 -54.432 82.972 1.00852.18 C ATOM 40809 O2* C B1948 -816.252 -55.059 81.723 1.00852.18 O ATOM 40810 C1* C B1948 -816.370 -55.408 84.101 1.00852.18 C ATOM 40811 N1 C B1948 -816.980 -54.718 85.244 1.00852.18 N ATOM 40812 C2 C B1948 -818.371 -54.733 85.377 1.00852.18 C ATOM 40813 O2 C B1948 -819.045 -55.363 84.547 1.00852.18 O ATOM 40814 N3 C B1948 -818.946 -54.063 86.401 1.00852.18 N ATOM 40815 C4 C B1948 -818.186 -53.404 87.277 1.00852.18 C ATOM 40816 N4 C B1948 -818.798 -52.744 88.262 1.00852.18 N ATOM 40817 C5 C B1948 -816.766 -53.388 87.179 1.00852.18 C ATOM 40818 C6 C B1948 -816.209 -54.053 86.158 1.00852.18 C ATOM 40819 P A B1949 -813.095 -52.368 81.991 1.00852.18 P ATOM 40820 O1P A B1949 -814.025 -51.371 81.403 1.00852.18 O ATOM 40821 O2P A B1949 -811.770 -52.596 81.366 1.00852.18 O ATOM 40822 O5* A B1949 -812.860 -51.970 83.522 1.00852.18 O ATOM 40823 C5* A B1949 -812.180 -50.762 83.861 1.00852.18 C ATOM 40824 C4* A B1949 -813.087 -49.834 84.646 1.00852.18 C ATOM 40825 O4* A B1949 -814.265 -49.526 83.864 1.00852.18 O ATOM 40826 C3* A B1949 -813.587 -50.376 85.976 1.00852.18 C ATOM 40827 O3* A B1949 -812.678 -50.078 87.039 1.00852.18 O ATOM 40828 C2* A B1949 -814.905 -49.622 86.170 1.00852.18 C ATOM 40829 O2* A B1949 -814.721 -48.368 86.791 1.00852.18 O ATOM 40830 C1* A B1949 -815.376 -49.408 84.727 1.00852.18 C ATOM 40831 N9 A B1949 -816.446 -50.294 84.268 1.00852.18 N ATOM 40832 C8 A B1949 -816.480 -51.093 83.152 1.00852.18 C ATOM 40833 N7 A B1949 -817.603 -51.755 83.013 1.00852.18 N ATOM 40834 C5 A B1949 -818.357 -51.371 84.112 1.00852.18 C ATOM 40835 C6 A B1949 -819.652 -51.717 84.544 1.00852.18 C ATOM 40836 N6 A B1949 -820.448 -52.566 83.893 1.00852.18 N ATOM 40837 N1 A B1949 -820.105 -51.150 85.684 1.00852.18 N ATOM 40838 C2 A B1949 -819.308 -50.295 86.336 1.00852.18 C ATOM 40839 N3 A B1949 -818.077 -49.891 86.031 1.00852.18 N ATOM 40840 C4 A B1949 -817.656 -50.472 84.893 1.00852.18 C ATOM 40841 P C B1950 -812.847 -50.798 88.466 1.00852.18 P ATOM 40842 O1P C B1950 -811.521 -51.357 88.837 1.00852.18 O ATOM 40843 O2P C B1950 -814.026 -51.694 88.401 1.00852.18 O ATOM 40844 O5* C B1950 -813.179 -49.611 89.481 1.00852.18 O ATOM 40845 C5* C B1950 -812.154 -48.978 90.251 1.00852.18 C ATOM 40846 C4* C B1950 -812.492 -49.043 91.725 1.00852.18 C ATOM 40847 O4* C B1950 -811.885 -50.228 92.306 1.00852.18 O ATOM 40848 C3* C B1950 -812.000 -47.895 92.603 1.00852.18 C ATOM 40849 O3* C B1950 -812.875 -46.772 92.599 1.00852.18 O ATOM 40850 C2* C B1950 -811.931 -48.539 93.980 1.00852.18 C ATOM 40851 O2* C B1950 -813.185 -48.572 94.630 1.00852.18 O ATOM 40852 C1* C B1950 -811.489 -49.962 93.641 1.00852.18 C ATOM 40853 N1 C B1950 -810.027 -50.125 93.742 1.00852.18 N ATOM 40854 C2 C B1950 -809.421 -50.050 95.008 1.00852.18 C ATOM 40855 O2 C B1950 -810.129 -49.856 96.008 1.00852.18 O ATOM 40856 N3 C B1950 -808.080 -50.190 95.103 1.00852.18 N ATOM 40857 C4 C B1950 -807.350 -50.394 94.004 1.00852.18 C ATOM 40858 N4 C B1950 -806.030 -50.521 94.146 1.00852.18 N ATOM 40859 C5 C B1950 -807.941 -50.476 92.712 1.00852.18 C ATOM 40860 C6 C B1950 -809.272 -50.341 92.627 1.00852.18 C ATOM 40861 P G B1951 -812.334 -45.341 93.088 1.00852.18 P ATOM 40862 O1P G B1951 -813.500 -44.580 93.604 1.00852.18 O ATOM 40863 O2P G B1951 -811.499 -44.761 92.005 1.00852.18 O ATOM 40864 O5* G B1951 -811.387 -45.684 94.323 1.00852.18 O ATOM 40865 C5* G B1951 -811.829 -45.481 95.660 1.00852.18 C ATOM 40866 C4* G B1951 -810.707 -44.927 96.510 1.00852.18 C ATOM 40867 O4* G B1951 -809.512 -45.733 96.342 1.00852.18 O ATOM 40868 C3* G B1951 -810.291 -43.519 96.128 1.00852.18 C ATOM 40869 O3* G B1951 -811.095 -42.535 96.764 1.00852.18 O ATOM 40870 C2* G B1951 -808.837 -43.461 96.576 1.00852.18 C ATOM 40871 O2* G B1951 -808.698 -43.171 97.953 1.00852.18 O ATOM 40872 C1* G B1951 -808.371 -44.891 96.304 1.00852.18 C ATOM 40873 N9 G B1951 -807.755 -45.012 94.986 1.00852.18 N ATOM 40874 C8 G B1951 -808.362 -44.822 93.767 1.00852.18 C ATOM 40875 N7 G B1951 -807.546 -44.973 92.760 1.00852.18 N ATOM 40876 C5 G B1951 -806.328 -45.286 93.350 1.00852.18 C ATOM 40877 C6 G B1951 -805.064 -45.556 92.761 1.00852.18 C ATOM 40878 O6 G B1951 -804.761 -45.570 91.563 1.00852.18 O ATOM 40879 N1 G B1951 -804.101 -45.830 93.724 1.00852.18 N ATOM 40880 C2 G B1951 -804.318 -45.839 95.082 1.00852.18 C ATOM 40881 N2 G B1951 -803.258 -46.128 95.846 1.00852.18 N ATOM 40882 N3 G B1951 -805.490 -45.585 95.643 1.00852.18 N ATOM 40883 C4 G B1951 -806.443 -45.319 94.724 1.00852.18 C ATOM 40884 P A B1952 -811.361 -41.131 96.030 1.00852.18 P ATOM 40885 O1P A B1952 -811.997 -40.217 97.009 1.00852.18 O ATOM 40886 O2P A B1952 -812.035 -41.402 94.734 1.00852.18 O ATOM 40887 O5* A B1952 -809.895 -40.589 95.721 1.00852.18 O ATOM 40888 C5* A B1952 -809.496 -39.281 96.120 1.00852.18 C ATOM 40889 C4* A B1952 -808.914 -39.327 97.507 1.00852.18 C ATOM 40890 O4* A B1952 -808.039 -40.473 97.631 1.00852.18 O ATOM 40891 C3* A B1952 -808.072 -38.132 97.923 1.00852.18 C ATOM 40892 O3* A B1952 -808.887 -37.116 98.499 1.00852.18 O ATOM 40893 C2* A B1952 -807.154 -38.723 98.980 1.00852.18 C ATOM 40894 O2* A B1952 -807.785 -38.751 100.241 1.00852.18 O ATOM 40895 C1* A B1952 -806.953 -40.153 98.474 1.00852.18 C ATOM 40896 N9 A B1952 -805.724 -40.327 97.707 1.00852.18 N ATOM 40897 C8 A B1952 -805.596 -40.415 96.342 1.00852.18 C ATOM 40898 N7 A B1952 -804.361 -40.571 95.936 1.00852.18 N ATOM 40899 C5 A B1952 -803.622 -40.585 97.111 1.00852.18 C ATOM 40900 C6 A B1952 -802.248 -40.720 97.362 1.00852.18 C ATOM 40901 N6 A B1952 -801.330 -40.867 96.403 1.00852.18 N ATOM 40902 N1 A B1952 -801.839 -40.698 98.648 1.00852.18 N ATOM 40903 C2 A B1952 -802.761 -40.549 99.610 1.00852.18 C ATOM 40904 N3 A B1952 -804.079 -40.410 99.499 1.00852.18 N ATOM 40905 C4 A B1952 -804.451 -40.438 98.209 1.00852.18 C ATOM 40906 P A B1953 -808.626 -35.840 98.214 1.00855.43 P ATOM 40907 O1P A B1953 -808.814 -35.575 96.762 1.00855.43 O ATOM 40908 O2P A B1953 -807.334 -35.505 98.860 1.00855.43 O ATOM 40909 O5* A B1953 -809.795 -35.103 99.003 1.00855.43 O ATOM 40910 C5* A B1953 -811.130 -35.589 98.908 1.00855.43 C ATOM 40911 C4* A B1953 -811.489 -36.429 100.116 1.00855.43 C ATOM 40912 O4* A B1953 -810.303 -36.987 100.732 1.00855.43 O ATOM 40913 C3* A B1953 -812.258 -35.726 101.216 1.00855.43 C ATOM 40914 O3* A B1953 -813.653 -35.701 100.936 1.00855.43 O ATOM 40915 C2* A B1953 -811.961 -36.631 102.415 1.00855.43 C ATOM 40916 O2* A B1953 -812.820 -37.748 102.478 1.00855.43 O ATOM 40917 C1* A B1953 -810.540 -37.123 102.119 1.00855.43 C ATOM 40918 N9 A B1953 -809.470 -36.483 102.881 1.00855.43 N ATOM 40919 C8 A B1953 -808.427 -35.700 102.451 1.00855.43 C ATOM 40920 N7 A B1953 -807.624 -35.312 103.415 1.00855.43 N ATOM 40921 C5 A B1953 -808.178 -35.876 104.557 1.00855.43 C ATOM 40922 C6 A B1953 -807.795 -35.850 105.911 1.00855.43 C ATOM 40923 N6 A B1953 -806.710 -35.216 106.364 1.00855.43 N ATOM 40924 N1 A B1953 -808.571 -36.511 106.797 1.00855.43 N ATOM 40925 C2 A B1953 -809.652 -37.159 106.343 1.00855.43 C ATOM 40926 N3 A B1953 -810.109 -37.260 105.099 1.00855.43 N ATOM 40927 C4 A B1953 -809.317 -36.591 104.241 1.00855.43 C ATOM 40928 P A B1954 -814.650 -34.864 101.877 1.00855.43 P ATOM 40929 O1P A B1954 -815.030 -33.635 101.136 1.00855.43 O ATOM 40930 O2P A B1954 -814.061 -34.748 103.236 1.00855.43 O ATOM 40931 O5* A B1954 -815.934 -35.804 101.968 1.00855.43 O ATOM 40932 C5* A B1954 -815.806 -37.223 101.865 1.00855.43 C ATOM 40933 C4* A B1954 -817.166 -37.877 101.954 1.00855.43 C ATOM 40934 O4* A B1954 -818.114 -37.147 101.129 1.00855.43 O ATOM 40935 C3* A B1954 -817.271 -39.327 101.506 1.00855.43 C ATOM 40936 O3* A B1954 -816.941 -40.196 102.584 1.00855.43 O ATOM 40937 C2* A B1954 -818.734 -39.447 101.089 1.00855.43 C ATOM 40938 O2* A B1954 -819.595 -39.685 102.185 1.00855.43 O ATOM 40939 C1* A B1954 -819.007 -38.058 100.512 1.00855.43 C ATOM 40940 N9 A B1954 -818.791 -38.011 99.066 1.00855.43 N ATOM 40941 C8 A B1954 -818.980 -39.024 98.156 1.00855.43 C ATOM 40942 N7 A B1954 -818.732 -38.677 96.917 1.00855.43 N ATOM 40943 C5 A B1954 -818.343 -37.349 97.016 1.00855.43 C ATOM 40944 C6 A B1954 -817.949 -36.406 96.052 1.00855.43 C ATOM 40945 N6 A B1954 -817.885 -36.669 94.743 1.00855.43 N ATOM 40946 N1 A B1954 -817.626 -35.169 96.479 1.00855.43 N ATOM 40947 C2 A B1954 -817.696 -34.906 97.791 1.00855.43 C ATOM 40948 N3 A B1954 -818.054 -35.704 98.793 1.00855.43 N ATOM 40949 C4 A B1954 -818.371 -36.928 98.333 1.00855.43 C ATOM 40950 P G B1955 -816.772 -41.774 102.309 1.00855.43 P ATOM 40951 O1P G B1955 -817.648 -42.116 101.158 1.00855.43 O ATOM 40952 O2P G B1955 -816.940 -42.493 103.597 1.00855.43 O ATOM 40953 O5* G B1955 -815.257 -41.937 101.837 1.00855.43 O ATOM 40954 C5* G B1955 -814.181 -41.483 102.655 1.00855.43 C ATOM 40955 C4* G B1955 -812.912 -41.365 101.838 1.00855.43 C ATOM 40956 O4* G B1955 -812.112 -40.269 102.343 1.00855.43 O ATOM 40957 C3* G B1955 -811.991 -42.584 101.802 1.00855.43 C ATOM 40958 O3* G B1955 -812.351 -43.527 100.790 1.00855.43 O ATOM 40959 C2* G B1955 -810.623 -41.958 101.534 1.00855.43 C ATOM 40960 O2* G B1955 -810.392 -41.734 100.158 1.00855.43 O ATOM 40961 C1* G B1955 -810.741 -40.600 102.232 1.00855.43 C ATOM 40962 N9 G B1955 -810.116 -40.490 103.550 1.00855.43 N ATOM 40963 C8 G B1955 -810.747 -40.346 104.762 1.00855.43 C ATOM 40964 N7 G B1955 -809.918 -40.241 105.765 1.00855.43 N ATOM 40965 C5 G B1955 -808.659 -40.327 105.182 1.00855.43 C ATOM 40966 C6 G B1955 -807.362 -40.273 105.768 1.00855.43 C ATOM 40967 O6 G B1955 -807.054 -40.133 106.961 1.00855.43 O ATOM 40968 N1 G B1955 -806.366 -40.405 104.810 1.00855.43 N ATOM 40969 C2 G B1955 -806.576 -40.564 103.464 1.00855.43 C ATOM 40970 N2 G B1955 -805.476 -40.679 102.708 1.00855.43 N ATOM 40971 N3 G B1955 -807.775 -40.615 102.904 1.00855.43 N ATOM 40972 C4 G B1955 -808.765 -40.489 103.814 1.00855.43 C ATOM 40973 P G B1956 -812.562 -45.080 101.174 1.00855.43 P ATOM 40974 O1P G B1956 -813.618 -45.616 100.278 1.00855.43 O ATOM 40975 O2P G B1956 -812.734 -45.178 102.647 1.00855.43 O ATOM 40976 O5* G B1956 -811.182 -45.779 100.783 1.00855.43 O ATOM 40977 C5* G B1956 -809.949 -45.106 101.003 1.00855.43 C ATOM 40978 C4* G B1956 -808.811 -46.085 101.194 1.00855.43 C ATOM 40979 O4* G B1956 -807.604 -45.301 101.347 1.00855.43 O ATOM 40980 C3* G B1956 -808.859 -46.972 102.433 1.00855.43 C ATOM 40981 O3* G B1956 -809.588 -48.181 102.222 1.00855.43 O ATOM 40982 C2* G B1956 -807.386 -47.224 102.723 1.00855.43 C ATOM 40983 O2* G B1956 -806.844 -48.256 101.923 1.00855.43 O ATOM 40984 C1* G B1956 -806.757 -45.890 102.312 1.00855.43 C ATOM 40985 N9 G B1956 -806.629 -44.920 103.397 1.00855.43 N ATOM 40986 C8 G B1956 -807.625 -44.091 103.860 1.00855.43 C ATOM 40987 N7 G B1956 -807.231 -43.298 104.816 1.00855.43 N ATOM 40988 C5 G B1956 -805.897 -43.625 105.006 1.00855.43 C ATOM 40989 C6 G B1956 -804.949 -43.095 105.911 1.00855.43 C ATOM 40990 O6 G B1956 -805.103 -42.196 106.744 1.00855.43 O ATOM 40991 N1 G B1956 -803.712 -43.717 105.780 1.00855.43 N ATOM 40992 C2 G B1956 -803.423 -44.720 104.889 1.00855.43 C ATOM 40993 N2 G B1956 -802.170 -45.192 104.927 1.00855.43 N ATOM 40994 N3 G B1956 -804.299 -45.223 104.029 1.00855.43 N ATOM 40995 C4 G B1956 -805.509 -44.632 104.145 1.00855.43 C ATOM 40996 P C B1957 -810.059 -49.074 103.475 1.00855.43 P ATOM 40997 O1P C B1957 -810.709 -50.283 102.908 1.00855.43 O ATOM 40998 O2P C B1957 -810.815 -48.209 104.418 1.00855.43 O ATOM 40999 O5* C B1957 -808.704 -49.535 104.180 1.00855.43 O ATOM 41000 C5* C B1957 -807.896 -50.556 103.600 1.00855.43 C ATOM 41001 C4* C B1957 -806.590 -50.695 104.351 1.00855.43 C ATOM 41002 O4* C B1957 -805.881 -49.426 104.330 1.00855.43 O ATOM 41003 C3* C B1957 -806.698 -51.029 105.833 1.00855.43 C ATOM 41004 O3* C B1957 -806.853 -52.420 106.088 1.00855.43 O ATOM 41005 C2* C B1957 -805.371 -50.522 106.380 1.00855.43 C ATOM 41006 O2* C B1957 -804.314 -51.437 106.176 1.00855.43 O ATOM 41007 C1* C B1957 -805.135 -49.276 105.526 1.00855.43 C ATOM 41008 N1 C B1957 -805.591 -48.066 106.222 1.00855.43 N ATOM 41009 C2 C B1957 -804.719 -47.433 107.117 1.00855.43 C ATOM 41010 O2 C B1957 -803.581 -47.903 107.280 1.00855.43 O ATOM 41011 N3 C B1957 -805.136 -46.330 107.780 1.00855.43 N ATOM 41012 C4 C B1957 -806.369 -45.858 107.575 1.00855.43 C ATOM 41013 N4 C B1957 -806.741 -44.769 108.251 1.00855.43 N ATOM 41014 C5 C B1957 -807.275 -46.480 106.668 1.00855.43 C ATOM 41015 C6 C B1957 -806.848 -47.569 106.018 1.00855.43 C ATOM 41016 P G B1958 -807.564 -52.903 107.450 1.00855.43 P ATOM 41017 O1P G B1958 -807.716 -54.379 107.366 1.00855.43 O ATOM 41018 O2P G B1958 -808.764 -52.056 107.674 1.00855.43 O ATOM 41019 O5* G B1958 -806.502 -52.578 108.594 1.00855.43 O ATOM 41020 C5* G B1958 -805.179 -53.108 108.522 1.00855.43 C ATOM 41021 C4* G B1958 -804.212 -52.290 109.352 1.00855.43 C ATOM 41022 O4* G B1958 -804.285 -50.882 108.996 1.00855.43 O ATOM 41023 C3* G B1958 -804.471 -52.355 110.844 1.00855.43 C ATOM 41024 O3* G B1958 -803.795 -53.464 111.428 1.00855.43 O ATOM 41025 C2* G B1958 -803.882 -51.038 111.342 1.00855.43 C ATOM 41026 O2* G B1958 -802.487 -51.110 111.552 1.00855.43 O ATOM 41027 C1* G B1958 -804.168 -50.096 110.171 1.00855.43 C ATOM 41028 N9 G B1958 -805.391 -49.322 110.369 1.00855.43 N ATOM 41029 C8 G B1958 -806.460 -49.203 109.515 1.00855.43 C ATOM 41030 N7 G B1958 -807.417 -48.452 109.995 1.00855.43 N ATOM 41031 C5 G B1958 -806.950 -48.049 111.238 1.00855.43 C ATOM 41032 C6 G B1958 -807.551 -47.223 112.229 1.00855.43 C ATOM 41033 O6 G B1958 -808.655 -46.664 112.207 1.00855.43 O ATOM 41034 N1 G B1958 -806.728 -47.072 113.339 1.00855.43 N ATOM 41035 C2 G B1958 -805.488 -47.640 113.485 1.00855.43 C ATOM 41036 N2 G B1958 -804.848 -47.367 114.635 1.00855.43 N ATOM 41037 N3 G B1958 -804.918 -48.413 112.575 1.00855.43 N ATOM 41038 C4 G B1958 -805.699 -48.575 111.485 1.00855.43 C ATOM 41039 P U B1959 -804.649 -54.668 112.066 1.00855.43 P ATOM 41040 O1P U B1959 -803.694 -55.671 112.596 1.00855.43 O ATOM 41041 O2P U B1959 -805.675 -55.083 111.074 1.00855.43 O ATOM 41042 O5* U B1959 -805.403 -53.998 113.298 1.00855.43 O ATOM 41043 C5* U B1959 -804.707 -53.673 114.501 1.00855.43 C ATOM 41044 C4* U B1959 -805.496 -52.662 115.299 1.00855.43 C ATOM 41045 O4* U B1959 -805.691 -51.474 114.489 1.00855.43 O ATOM 41046 C3* U B1959 -806.886 -53.095 115.688 1.00855.43 C ATOM 41047 O3* U B1959 -806.826 -53.807 116.917 1.00855.43 O ATOM 41048 C2* U B1959 -807.639 -51.776 115.826 1.00855.43 C ATOM 41049 O2* U B1959 -807.446 -51.171 117.088 1.00855.43 O ATOM 41050 C1* U B1959 -806.972 -50.924 114.742 1.00855.43 C ATOM 41051 N1 U B1959 -807.718 -50.930 113.474 1.00855.43 N ATOM 41052 C2 U B1959 -808.787 -50.065 113.347 1.00855.43 C ATOM 41053 O2 U B1959 -809.138 -49.311 114.237 1.00855.43 O ATOM 41054 N3 U B1959 -809.433 -50.125 112.137 1.00855.43 N ATOM 41055 C4 U B1959 -809.126 -50.940 111.067 1.00855.43 C ATOM 41056 O4 U B1959 -809.797 -50.869 110.037 1.00855.43 O ATOM 41057 C5 U B1959 -808.009 -51.806 111.281 1.00855.43 C ATOM 41058 C6 U B1959 -807.361 -51.769 112.447 1.00855.43 C ATOM 41059 P A B1960 -807.505 -55.260 117.029 1.00855.43 P ATOM 41060 O1P A B1960 -806.409 -56.261 117.033 1.00855.43 O ATOM 41061 O2P A B1960 -808.580 -55.352 116.010 1.00855.43 O ATOM 41062 O5* A B1960 -808.179 -55.259 118.471 1.00855.43 O ATOM 41063 C5* A B1960 -807.610 -56.001 119.545 1.00855.43 C ATOM 41064 C4* A B1960 -808.189 -55.549 120.862 1.00855.43 C ATOM 41065 O4* A B1960 -807.945 -54.135 121.041 1.00855.43 O ATOM 41066 C3* A B1960 -809.704 -55.722 120.992 1.00855.43 C ATOM 41067 O3* A B1960 -810.075 -57.018 121.442 1.00855.43 O ATOM 41068 C2* A B1960 -810.084 -54.621 121.976 1.00855.43 C ATOM 41069 O2* A B1960 -809.907 -55.002 123.324 1.00855.43 O ATOM 41070 C1* A B1960 -809.084 -53.520 121.615 1.00855.43 C ATOM 41071 N9 A B1960 -809.601 -52.549 120.655 1.00855.43 N ATOM 41072 C8 A B1960 -809.305 -52.463 119.317 1.00855.43 C ATOM 41073 N7 A B1960 -809.905 -51.473 118.706 1.00855.43 N ATOM 41074 C5 A B1960 -810.652 -50.864 119.707 1.00855.43 C ATOM 41075 C6 A B1960 -811.505 -49.753 119.705 1.00855.43 C ATOM 41076 N6 A B1960 -811.763 -49.019 118.620 1.00855.43 N ATOM 41077 N1 A B1960 -812.097 -49.411 120.869 1.00855.43 N ATOM 41078 C2 A B1960 -811.835 -50.146 121.958 1.00855.43 C ATOM 41079 N3 A B1960 -811.048 -51.212 122.087 1.00855.43 N ATOM 41080 C4 A B1960 -810.478 -51.524 120.910 1.00855.43 C ATOM 41081 P A B1961 -811.542 -57.584 121.112 1.00855.43 P ATOM 41082 O1P A B1961 -811.564 -59.018 121.501 1.00855.43 O ATOM 41083 O2P A B1961 -811.896 -57.193 119.724 1.00855.43 O ATOM 41084 O5* A B1961 -812.486 -56.788 122.114 1.00855.43 O ATOM 41085 C5* A B1961 -812.396 -56.988 123.520 1.00855.43 C ATOM 41086 C4* A B1961 -813.209 -55.944 124.243 1.00855.43 C ATOM 41087 O4* A B1961 -812.741 -54.620 123.884 1.00855.43 O ATOM 41088 C3* A B1961 -814.687 -55.954 123.911 1.00855.43 C ATOM 41089 O3* A B1961 -815.359 -56.887 124.748 1.00855.43 O ATOM 41090 C2* A B1961 -815.106 -54.509 124.152 1.00855.43 C ATOM 41091 O2* A B1961 -815.380 -54.242 125.513 1.00855.43 O ATOM 41092 C1* A B1961 -813.850 -53.751 123.716 1.00855.43 C ATOM 41093 N9 A B1961 -813.905 -53.364 122.306 1.00855.43 N ATOM 41094 C8 A B1961 -813.351 -54.032 121.244 1.00855.43 C ATOM 41095 N7 A B1961 -813.576 -53.462 120.085 1.00855.43 N ATOM 41096 C5 A B1961 -814.326 -52.341 120.408 1.00855.43 C ATOM 41097 C6 A B1961 -814.885 -51.319 119.622 1.00855.43 C ATOM 41098 N6 A B1961 -814.768 -51.261 118.291 1.00855.43 N ATOM 41099 N1 A B1961 -815.577 -50.347 120.251 1.00855.43 N ATOM 41100 C2 A B1961 -815.697 -50.407 121.586 1.00855.43 C ATOM 41101 N3 A B1961 -815.217 -51.315 122.433 1.00855.43 N ATOM 41102 C4 A B1961 -814.534 -52.267 121.774 1.00855.43 C ATOM 41103 P C B1962 -816.587 -57.735 124.157 1.00855.43 P ATOM 41104 O1P C B1962 -817.258 -58.410 125.297 1.00855.43 O ATOM 41105 O2P C B1962 -816.092 -58.541 123.011 1.00855.43 O ATOM 41106 O5* C B1962 -817.568 -56.617 123.596 1.00855.43 O ATOM 41107 C5* C B1962 -818.508 -55.986 124.455 1.00855.43 C ATOM 41108 C4* C B1962 -819.192 -54.845 123.739 1.00855.43 C ATOM 41109 O4* C B1962 -818.196 -53.948 123.178 1.00855.43 O ATOM 41110 C3* C B1962 -820.057 -55.230 122.560 1.00855.43 C ATOM 41111 O3* C B1962 -821.350 -55.642 122.976 1.00855.43 O ATOM 41112 C2* C B1962 -820.081 -53.953 121.732 1.00855.43 C ATOM 41113 O2* C B1962 -821.013 -53.008 122.216 1.00855.43 O ATOM 41114 C1* C B1962 -818.662 -53.427 121.943 1.00855.43 C ATOM 41115 N1 C B1962 -817.768 -53.896 120.875 1.00855.43 N ATOM 41116 C2 C B1962 -817.709 -53.171 119.680 1.00855.43 C ATOM 41117 O2 C B1962 -818.378 -52.134 119.574 1.00855.43 O ATOM 41118 N3 C B1962 -816.926 -53.620 118.674 1.00855.43 N ATOM 41119 C4 C B1962 -816.213 -54.739 118.830 1.00855.43 C ATOM 41120 N4 C B1962 -815.468 -55.154 117.803 1.00855.43 N ATOM 41121 C5 C B1962 -816.245 -55.487 120.041 1.00855.43 C ATOM 41122 C6 C B1962 -817.025 -55.035 121.031 1.00855.43 C ATOM 41123 P G B1963 -822.247 -56.543 121.989 1.00855.43 P ATOM 41124 O1P G B1963 -823.478 -56.928 122.721 1.00855.43 O ATOM 41125 O2P G B1963 -821.373 -57.601 121.413 1.00855.43 O ATOM 41126 O5* G B1963 -822.648 -55.537 120.824 1.00855.43 O ATOM 41127 C5* G B1963 -823.795 -54.707 120.959 1.00855.43 C ATOM 41128 C4* G B1963 -824.241 -54.187 119.613 1.00855.43 C ATOM 41129 O4* G B1963 -823.240 -53.312 119.041 1.00855.43 O ATOM 41130 C3* G B1963 -824.565 -55.228 118.528 1.00855.43 C ATOM 41131 O3* G B1963 -825.861 -55.814 118.644 1.00855.43 O ATOM 41132 C2* G B1963 -824.386 -54.410 117.245 1.00855.43 C ATOM 41133 O2* G B1963 -825.543 -53.673 116.909 1.00855.43 O ATOM 41134 C1* G B1963 -823.271 -53.429 117.630 1.00855.43 C ATOM 41135 N9 G B1963 -821.919 -53.720 117.157 1.00855.43 N ATOM 41136 C8 G B1963 -820.762 -53.740 117.900 1.00855.43 C ATOM 41137 N7 G B1963 -819.697 -53.982 117.187 1.00855.43 N ATOM 41138 C5 G B1963 -820.176 -54.144 115.894 1.00855.43 C ATOM 41139 C6 G B1963 -819.483 -54.419 114.679 1.00855.43 C ATOM 41140 O6 G B1963 -818.269 -54.567 114.496 1.00855.43 O ATOM 41141 N1 G B1963 -820.356 -54.512 113.602 1.00855.43 N ATOM 41142 C2 G B1963 -821.718 -54.357 113.673 1.00855.43 C ATOM 41143 N2 G B1963 -822.383 -54.492 112.516 1.00855.43 N ATOM 41144 N3 G B1963 -822.374 -54.090 114.794 1.00855.43 N ATOM 41145 C4 G B1963 -821.546 -53.998 115.859 1.00855.43 C ATOM 41146 P A B1964 -826.391 -56.840 117.529 1.00855.43 P ATOM 41147 O1P A B1964 -825.223 -57.466 116.873 1.00855.43 O ATOM 41148 O2P A B1964 -827.387 -56.106 116.707 1.00855.43 O ATOM 41149 O5* A B1964 -827.176 -57.950 118.360 1.00855.43 O ATOM 41150 C5* A B1964 -827.354 -59.277 117.863 1.00855.43 C ATOM 41151 C4* A B1964 -828.768 -59.449 117.363 1.00855.43 C ATOM 41152 O4* A B1964 -829.673 -59.197 118.466 1.00855.43 O ATOM 41153 C3* A B1964 -829.173 -58.450 116.276 1.00855.43 C ATOM 41154 O3* A B1964 -828.892 -58.936 114.963 1.00855.43 O ATOM 41155 C2* A B1964 -830.680 -58.307 116.492 1.00855.43 C ATOM 41156 O2* A B1964 -831.419 -59.322 115.844 1.00855.43 O ATOM 41157 C1* A B1964 -830.807 -58.483 118.006 1.00855.43 C ATOM 41158 N9 A B1964 -830.895 -57.238 118.772 1.00855.43 N ATOM 41159 C8 A B1964 -831.426 -56.031 118.381 1.00855.43 C ATOM 41160 N7 A B1964 -831.337 -55.097 119.297 1.00855.43 N ATOM 41161 C5 A B1964 -830.711 -55.729 120.360 1.00855.43 C ATOM 41162 C6 A B1964 -830.325 -55.276 121.636 1.00855.43 C ATOM 41163 N6 A B1964 -830.519 -54.032 122.074 1.00855.43 N ATOM 41164 N1 A B1964 -829.725 -56.162 122.462 1.00855.43 N ATOM 41165 C2 A B1964 -829.525 -57.412 122.023 1.00855.43 C ATOM 41166 N3 A B1964 -829.842 -57.954 120.848 1.00855.43 N ATOM 41167 C4 A B1964 -830.436 -57.048 120.054 1.00855.43 C ATOM 41168 P U B1965 -827.551 -58.479 114.195 1.00855.43 P ATOM 41169 O1P U B1965 -826.420 -59.170 114.862 1.00855.43 O ATOM 41170 O2P U B1965 -827.532 -57.003 114.078 1.00855.43 O ATOM 41171 O5* U B1965 -827.701 -59.087 112.729 1.00855.43 O ATOM 41172 C5* U B1965 -828.301 -58.334 111.682 1.00855.43 C ATOM 41173 C4* U B1965 -827.373 -58.272 110.489 1.00855.43 C ATOM 41174 O4* U B1965 -826.252 -57.405 110.788 1.00855.43 O ATOM 41175 C3* U B1965 -826.751 -59.615 110.135 1.00855.43 C ATOM 41176 O3* U B1965 -827.573 -60.414 109.289 1.00855.43 O ATOM 41177 C2* U B1965 -825.446 -59.207 109.459 1.00855.43 C ATOM 41178 O2* U B1965 -825.629 -58.863 108.100 1.00855.43 O ATOM 41179 C1* U B1965 -825.057 -57.956 110.252 1.00855.43 C ATOM 41180 N1 U B1965 -824.146 -58.247 111.368 1.00855.43 N ATOM 41181 C2 U B1965 -822.873 -58.741 111.083 1.00855.43 C ATOM 41182 O2 U B1965 -822.477 -58.967 109.955 1.00855.43 O ATOM 41183 N3 U B1965 -822.083 -58.972 112.180 1.00855.43 N ATOM 41184 C4 U B1965 -822.421 -58.776 113.501 1.00855.43 C ATOM 41185 O4 U B1965 -821.588 -59.014 114.377 1.00855.43 O ATOM 41186 C5 U B1965 -823.746 -58.284 113.715 1.00855.43 C ATOM 41187 C6 U B1965 -824.542 -58.040 112.667 1.00855.43 C ATOM 41188 P C B1966 -827.529 -62.013 109.430 1.00855.43 P ATOM 41189 O1P C B1966 -828.840 -62.536 108.966 1.00855.43 O ATOM 41190 O2P C B1966 -827.045 -62.352 110.792 1.00855.43 O ATOM 41191 O5* C B1966 -826.419 -62.462 108.378 1.00855.43 O ATOM 41192 C5* C B1966 -826.657 -62.349 106.980 1.00855.43 C ATOM 41193 C4* C B1966 -825.424 -62.743 106.199 1.00855.43 C ATOM 41194 O4* C B1966 -824.340 -61.824 106.488 1.00855.43 O ATOM 41195 C3* C B1966 -824.850 -64.124 106.497 1.00855.43 C ATOM 41196 O3* C B1966 -825.501 -65.181 105.808 1.00855.43 O ATOM 41197 C2* C B1966 -823.398 -63.973 106.054 1.00855.43 C ATOM 41198 O2* C B1966 -823.236 -64.144 104.660 1.00855.43 O ATOM 41199 C1* C B1966 -823.105 -62.520 106.431 1.00855.43 C ATOM 41200 N1 C B1966 -822.437 -62.412 107.739 1.00855.43 N ATOM 41201 C2 C B1966 -821.048 -62.553 107.789 1.00855.43 C ATOM 41202 O2 C B1966 -820.428 -62.755 106.732 1.00855.43 O ATOM 41203 N3 C B1966 -820.418 -62.470 108.979 1.00855.43 N ATOM 41204 C4 C B1966 -821.119 -62.259 110.093 1.00855.43 C ATOM 41205 N4 C B1966 -820.452 -62.192 111.249 1.00855.43 N ATOM 41206 C5 C B1966 -822.537 -62.108 110.073 1.00855.43 C ATOM 41207 C6 C B1966 -823.149 -62.190 108.884 1.00855.43 C ATOM 41208 P U B1967 -825.429 -66.671 106.403 1.00855.43 P ATOM 41209 O1P U B1967 -826.268 -67.539 105.534 1.00855.43 O ATOM 41210 O2P U B1967 -825.700 -66.610 107.860 1.00855.43 O ATOM 41211 O5* U B1967 -823.905 -67.088 106.197 1.00855.43 O ATOM 41212 C5* U B1967 -823.349 -67.170 104.888 1.00855.43 C ATOM 41213 C4* U B1967 -821.870 -67.478 104.953 1.00855.43 C ATOM 41214 O4* U B1967 -821.152 -66.372 105.567 1.00855.43 O ATOM 41215 C3* U B1967 -821.464 -68.669 105.792 1.00855.43 C ATOM 41216 O3* U B1967 -821.636 -69.900 105.102 1.00855.43 O ATOM 41217 C2* U B1967 -819.996 -68.389 106.086 1.00855.43 C ATOM 41218 O2* U B1967 -819.149 -68.784 105.026 1.00855.43 O ATOM 41219 C1* U B1967 -819.986 -66.868 106.212 1.00855.43 C ATOM 41220 N1 U B1967 -820.005 -66.452 107.622 1.00855.43 N ATOM 41221 C2 U B1967 -818.797 -66.438 108.295 1.00855.43 C ATOM 41222 O2 U B1967 -817.738 -66.713 107.760 1.00855.43 O ATOM 41223 N3 U B1967 -818.878 -66.089 109.621 1.00855.43 N ATOM 41224 C4 U B1967 -820.015 -65.756 110.328 1.00855.43 C ATOM 41225 O4 U B1967 -819.927 -65.504 111.528 1.00855.43 O ATOM 41226 C5 U B1967 -821.223 -65.778 109.555 1.00855.43 C ATOM 41227 C6 U B1967 -821.176 -66.113 108.259 1.00855.43 C ATOM 41228 P G B1968 -821.705 -71.269 105.938 1.00855.43 P ATOM 41229 O1P G B1968 -821.903 -72.374 104.968 1.00855.43 O ATOM 41230 O2P G B1968 -822.669 -71.087 107.053 1.00855.43 O ATOM 41231 O5* G B1968 -820.240 -71.407 106.560 1.00855.43 O ATOM 41232 C5* G B1968 -819.140 -71.741 105.721 1.00855.43 C ATOM 41233 C4* G B1968 -818.040 -72.410 106.512 1.00855.43 C ATOM 41234 O4* G B1968 -817.086 -71.431 107.004 1.00855.43 O ATOM 41235 C3* G B1968 -818.475 -73.157 107.754 1.00855.43 C ATOM 41236 O3* G B1968 -818.975 -74.452 107.452 1.00855.43 O ATOM 41237 C2* G B1968 -817.184 -73.238 108.554 1.00855.43 C ATOM 41238 O2* G B1968 -816.349 -74.298 108.134 1.00855.43 O ATOM 41239 C1* G B1968 -816.524 -71.899 108.222 1.00855.43 C ATOM 41240 N9 G B1968 -816.786 -70.938 109.286 1.00855.43 N ATOM 41241 C8 G B1968 -817.788 -70.007 109.365 1.00855.43 C ATOM 41242 N7 G B1968 -817.776 -69.335 110.486 1.00855.43 N ATOM 41243 C5 G B1968 -816.690 -69.852 111.182 1.00855.43 C ATOM 41244 C6 G B1968 -816.176 -69.530 112.467 1.00855.43 C ATOM 41245 O6 G B1968 -816.598 -68.696 113.281 1.00855.43 O ATOM 41246 N1 G B1968 -815.056 -70.294 112.778 1.00855.43 N ATOM 41247 C2 G B1968 -814.500 -71.248 111.960 1.00855.43 C ATOM 41248 N2 G B1968 -813.414 -71.877 112.431 1.00855.43 N ATOM 41249 N3 G B1968 -814.971 -71.564 110.768 1.00855.43 N ATOM 41250 C4 G B1968 -816.057 -70.832 110.445 1.00855.43 C ATOM 41251 P G B1969 -820.058 -75.125 108.437 1.00855.43 P ATOM 41252 O1P G B1969 -820.825 -76.117 107.646 1.00855.43 O ATOM 41253 O2P G B1969 -820.774 -74.037 109.150 1.00855.43 O ATOM 41254 O5* G B1969 -819.172 -75.919 109.501 1.00855.43 O ATOM 41255 C5* G B1969 -818.014 -76.633 109.086 1.00855.43 C ATOM 41256 C4* G B1969 -816.995 -76.706 110.200 1.00855.43 C ATOM 41257 O4* G B1969 -816.501 -75.379 110.525 1.00855.43 O ATOM 41258 C3* G B1969 -817.498 -77.266 111.526 1.00855.43 C ATOM 41259 O3* G B1969 -817.475 -78.689 111.542 1.00855.43 O ATOM 41260 C2* G B1969 -816.501 -76.685 112.524 1.00855.43 C ATOM 41261 O2* G B1969 -815.305 -77.433 112.595 1.00855.43 O ATOM 41262 C1* G B1969 -816.196 -75.316 111.907 1.00855.43 C ATOM 41263 N9 G B1969 -816.948 -74.232 112.528 1.00855.43 N ATOM 41264 C8 G B1969 -818.202 -73.775 112.200 1.00855.43 C ATOM 41265 N7 G B1969 -818.597 -72.779 112.952 1.00855.43 N ATOM 41266 C5 G B1969 -817.540 -72.569 113.827 1.00855.43 C ATOM 41267 C6 G B1969 -817.378 -71.622 114.879 1.00855.43 C ATOM 41268 O6 G B1969 -818.167 -70.744 115.259 1.00855.43 O ATOM 41269 N1 G B1969 -816.146 -71.765 115.510 1.00855.43 N ATOM 41270 C2 G B1969 -815.193 -72.696 115.179 1.00855.43 C ATOM 41271 N2 G B1969 -814.068 -72.678 115.905 1.00855.43 N ATOM 41272 N3 G B1969 -815.327 -73.578 114.206 1.00855.43 N ATOM 41273 C4 G B1969 -816.516 -73.460 113.576 1.00855.43 C ATOM 41274 P G B1970 -818.558 -79.493 112.419 1.00855.43 P ATOM 41275 O1P G B1970 -818.669 -80.858 111.839 1.00855.43 O ATOM 41276 O2P G B1970 -819.773 -78.652 112.554 1.00855.43 O ATOM 41277 O5* G B1970 -817.871 -79.623 113.850 1.00855.43 O ATOM 41278 C5* G B1970 -816.494 -79.962 113.960 1.00855.43 C ATOM 41279 C4* G B1970 -815.883 -79.340 115.194 1.00855.43 C ATOM 41280 O4* G B1970 -815.850 -77.891 115.082 1.00855.43 O ATOM 41281 C3* G B1970 -816.616 -79.616 116.489 1.00855.43 C ATOM 41282 O3* G B1970 -816.222 -80.873 117.017 1.00855.43 O ATOM 41283 C2* G B1970 -816.170 -78.461 117.378 1.00855.43 C ATOM 41284 O2* G B1970 -814.917 -78.696 117.994 1.00855.43 O ATOM 41285 C1* G B1970 -816.018 -77.319 116.368 1.00855.43 C ATOM 41286 N9 G B1970 -817.174 -76.432 116.360 1.00855.43 N ATOM 41287 C8 G B1970 -818.282 -76.491 115.549 1.00855.43 C ATOM 41288 N7 G B1970 -819.154 -75.550 115.799 1.00855.43 N ATOM 41289 C5 G B1970 -818.586 -74.826 116.837 1.00855.43 C ATOM 41290 C6 G B1970 -819.064 -73.683 117.537 1.00855.43 C ATOM 41291 O6 G B1970 -820.125 -73.064 117.378 1.00855.43 O ATOM 41292 N1 G B1970 -818.166 -73.269 118.516 1.00855.43 N ATOM 41293 C2 G B1970 -816.965 -73.871 118.791 1.00855.43 C ATOM 41294 N2 G B1970 -816.236 -73.320 119.776 1.00855.43 N ATOM 41295 N3 G B1970 -816.507 -74.931 118.151 1.00855.43 N ATOM 41296 C4 G B1970 -817.365 -75.354 117.193 1.00855.43 C ATOM 41297 P C B1971 -817.226 -81.676 117.983 1.00855.43 P ATOM 41298 O1P C B1971 -816.644 -83.022 118.216 1.00855.43 O ATOM 41299 O2P C B1971 -818.598 -81.554 117.431 1.00855.43 O ATOM 41300 O5* C B1971 -817.160 -80.863 119.349 1.00855.43 O ATOM 41301 C5* C B1971 -815.985 -80.885 120.147 1.00855.43 C ATOM 41302 C4* C B1971 -816.207 -80.143 121.443 1.00855.43 C ATOM 41303 O4* C B1971 -816.232 -78.712 121.203 1.00855.43 O ATOM 41304 C3* C B1971 -817.537 -80.449 122.102 1.00855.43 C ATOM 41305 O3* C B1971 -817.460 -81.625 122.893 1.00855.43 O ATOM 41306 C2* C B1971 -817.791 -79.201 122.938 1.00855.43 C ATOM 41307 O2* C B1971 -817.124 -79.235 124.184 1.00855.43 O ATOM 41308 C1* C B1971 -817.183 -78.105 122.062 1.00855.43 C ATOM 41309 N1 C B1971 -818.194 -77.421 121.242 1.00855.43 N ATOM 41310 C2 C B1971 -818.686 -76.190 121.681 1.00855.43 C ATOM 41311 O2 C B1971 -818.227 -75.705 122.726 1.00855.43 O ATOM 41312 N3 C B1971 -819.638 -75.557 120.958 1.00855.43 N ATOM 41313 C4 C B1971 -820.095 -76.108 119.831 1.00855.43 C ATOM 41314 N4 C B1971 -821.041 -75.454 119.155 1.00855.43 N ATOM 41315 C5 C B1971 -819.604 -77.359 119.352 1.00855.43 C ATOM 41316 C6 C B1971 -818.661 -77.975 120.082 1.00855.43 C ATOM 41317 P G B1972 -818.130 -82.980 122.358 1.00855.43 P ATOM 41318 O1P G B1972 -817.440 -84.116 123.014 1.00855.43 O ATOM 41319 O2P G B1972 -818.188 -82.918 120.874 1.00855.43 O ATOM 41320 O5* G B1972 -819.618 -82.904 122.917 1.00855.43 O ATOM 41321 C5* G B1972 -819.969 -83.562 124.129 1.00855.43 C ATOM 41322 C4* G B1972 -821.148 -82.875 124.772 1.00855.43 C ATOM 41323 O4* G B1972 -820.859 -81.471 124.989 1.00855.43 O ATOM 41324 C3* G B1972 -822.485 -82.855 124.024 1.00855.43 C ATOM 41325 O3* G B1972 -823.217 -84.075 124.055 1.00855.43 O ATOM 41326 C2* G B1972 -823.210 -81.707 124.711 1.00855.43 C ATOM 41327 O2* G B1972 -823.801 -82.094 125.938 1.00855.43 O ATOM 41328 C1* G B1972 -822.066 -80.729 124.978 1.00855.43 C ATOM 41329 N9 G B1972 -821.969 -79.717 123.931 1.00855.43 N ATOM 41330 C8 G B1972 -821.080 -79.691 122.883 1.00855.43 C ATOM 41331 N7 G B1972 -821.245 -78.666 122.093 1.00855.43 N ATOM 41332 C5 G B1972 -822.306 -77.969 122.655 1.00855.43 C ATOM 41333 C6 G B1972 -822.937 -76.770 122.243 1.00855.43 C ATOM 41334 O6 G B1972 -822.680 -76.057 121.266 1.00855.43 O ATOM 41335 N1 G B1972 -823.970 -76.412 123.103 1.00855.43 N ATOM 41336 C2 G B1972 -824.349 -77.117 124.220 1.00855.43 C ATOM 41337 N2 G B1972 -825.366 -76.605 124.924 1.00855.43 N ATOM 41338 N3 G B1972 -823.766 -78.236 124.618 1.00855.43 N ATOM 41339 C4 G B1972 -822.761 -78.601 123.794 1.00855.43 C ATOM 41340 P C B1973 -824.251 -84.403 122.872 1.00855.43 P ATOM 41341 O1P C B1973 -824.862 -85.725 123.154 1.00855.43 O ATOM 41342 O2P C B1973 -823.567 -84.171 121.574 1.00855.43 O ATOM 41343 O5* C B1973 -825.377 -83.287 123.042 1.00855.43 O ATOM 41344 C5* C B1973 -826.130 -83.198 124.248 1.00855.43 C ATOM 41345 C4* C B1973 -826.797 -81.849 124.342 1.00855.43 C ATOM 41346 O4* C B1973 -825.815 -80.800 124.119 1.00855.43 O ATOM 41347 C3* C B1973 -827.872 -81.587 123.317 1.00855.43 C ATOM 41348 O3* C B1973 -829.091 -82.128 123.799 1.00855.43 O ATOM 41349 C2* C B1973 -827.887 -80.069 123.209 1.00855.43 C ATOM 41350 O2* C B1973 -828.652 -79.454 124.226 1.00855.43 O ATOM 41351 C1* C B1973 -826.407 -79.733 123.395 1.00855.43 C ATOM 41352 N1 C B1973 -825.714 -79.616 122.104 1.00855.43 N ATOM 41353 C2 C B1973 -825.828 -78.428 121.380 1.00855.43 C ATOM 41354 O2 C B1973 -826.493 -77.494 121.862 1.00855.43 O ATOM 41355 N3 C B1973 -825.218 -78.321 120.177 1.00855.43 N ATOM 41356 C4 C B1973 -824.510 -79.347 119.698 1.00855.43 C ATOM 41357 N4 C B1973 -823.932 -79.206 118.500 1.00855.43 N ATOM 41358 C5 C B1973 -824.369 -80.568 120.420 1.00855.43 C ATOM 41359 C6 C B1973 -824.979 -80.656 121.608 1.00855.43 C ATOM 41360 P U B1974 -830.230 -82.534 122.748 1.00855.43 P ATOM 41361 O1P U B1974 -831.381 -83.111 123.485 1.00855.43 O ATOM 41362 O2P U B1974 -829.575 -83.325 121.675 1.00855.43 O ATOM 41363 O5* U B1974 -830.655 -81.125 122.151 1.00855.43 O ATOM 41364 C5* U B1974 -831.331 -80.149 122.931 1.00855.43 C ATOM 41365 C4* U B1974 -831.862 -79.069 122.023 1.00855.43 C ATOM 41366 O4* U B1974 -830.741 -78.372 121.428 1.00855.43 O ATOM 41367 C3* U B1974 -832.684 -79.538 120.855 1.00855.43 C ATOM 41368 O3* U B1974 -834.040 -79.697 121.268 1.00855.43 O ATOM 41369 C2* U B1974 -832.505 -78.415 119.841 1.00855.43 C ATOM 41370 O2* U B1974 -833.383 -77.332 120.083 1.00855.43 O ATOM 41371 C1* U B1974 -831.063 -77.973 120.110 1.00855.43 C ATOM 41372 N1 U B1974 -830.058 -78.585 119.229 1.00855.43 N ATOM 41373 C2 U B1974 -829.845 -78.065 117.959 1.00855.43 C ATOM 41374 O2 U B1974 -830.453 -77.110 117.508 1.00855.43 O ATOM 41375 N3 U B1974 -828.878 -78.706 117.228 1.00855.43 N ATOM 41376 C4 U B1974 -828.117 -79.785 117.621 1.00855.43 C ATOM 41377 O4 U B1974 -827.268 -80.233 116.855 1.00855.43 O ATOM 41378 C5 U B1974 -828.395 -80.262 118.937 1.00855.43 C ATOM 41379 C6 U B1974 -829.332 -79.663 119.674 1.00855.43 C ATOM 41380 P G B1975 -834.607 -81.164 121.602 1.00855.43 P ATOM 41381 O1P G B1975 -835.771 -80.989 122.508 1.00855.43 O ATOM 41382 O2P G B1975 -833.471 -82.023 122.025 1.00855.43 O ATOM 41383 O5* G B1975 -835.149 -81.706 120.207 1.00855.43 O ATOM 41384 C5* G B1975 -834.290 -81.829 119.074 1.00855.43 C ATOM 41385 C4* G B1975 -834.262 -83.258 118.605 1.00855.43 C ATOM 41386 O4* G B1975 -833.516 -84.048 119.555 1.00855.43 O ATOM 41387 C3* G B1975 -835.593 -83.971 118.584 1.00855.43 C ATOM 41388 O3* G B1975 -836.250 -83.541 117.385 1.00855.43 O ATOM 41389 C2* G B1975 -835.266 -85.456 118.745 1.00855.43 C ATOM 41390 O2* G B1975 -835.076 -86.148 117.531 1.00855.43 O ATOM 41391 C1* G B1975 -833.920 -85.399 119.482 1.00855.43 C ATOM 41392 N9 G B1975 -833.890 -85.914 120.847 1.00855.43 N ATOM 41393 C8 G B1975 -833.983 -85.191 122.012 1.00855.43 C ATOM 41394 N7 G B1975 -833.819 -85.922 123.081 1.00855.43 N ATOM 41395 C5 G B1975 -833.623 -87.203 122.590 1.00855.43 C ATOM 41396 C6 G B1975 -833.376 -88.423 123.275 1.00855.43 C ATOM 41397 O6 G B1975 -833.256 -88.614 124.489 1.00855.43 O ATOM 41398 N1 G B1975 -833.257 -89.488 122.391 1.00855.43 N ATOM 41399 C2 G B1975 -833.358 -89.398 121.023 1.00855.43 C ATOM 41400 N2 G B1975 -833.236 -90.542 120.345 1.00855.43 N ATOM 41401 N3 G B1975 -833.567 -88.268 120.375 1.00855.43 N ATOM 41402 C4 G B1975 -833.689 -87.219 121.215 1.00855.43 C ATOM 41403 P U B1976 -837.508 -82.541 117.450 1.00855.43 P ATOM 41404 O1P U B1976 -837.090 -81.389 118.288 1.00855.43 O ATOM 41405 O2P U B1976 -838.735 -83.296 117.811 1.00855.43 O ATOM 41406 O5* U B1976 -837.653 -82.007 115.954 1.00855.43 O ATOM 41407 C5* U B1976 -837.962 -80.642 115.702 1.00855.43 C ATOM 41408 C4* U B1976 -837.234 -80.141 114.471 1.00855.43 C ATOM 41409 O4* U B1976 -835.811 -80.005 114.736 1.00855.43 O ATOM 41410 C3* U B1976 -837.335 -81.037 113.247 1.00855.43 C ATOM 41411 O3* U B1976 -838.501 -80.806 112.463 1.00855.43 O ATOM 41412 C2* U B1976 -836.089 -80.644 112.465 1.00855.43 C ATOM 41413 O2* U B1976 -836.277 -79.473 111.695 1.00855.43 O ATOM 41414 C1* U B1976 -835.081 -80.379 113.577 1.00855.43 C ATOM 41415 N1 U B1976 -834.271 -81.576 113.866 1.00855.43 N ATOM 41416 C2 U B1976 -833.294 -81.922 112.940 1.00855.43 C ATOM 41417 O2 U B1976 -833.087 -81.285 111.920 1.00855.43 O ATOM 41418 N3 U B1976 -832.570 -83.046 113.248 1.00855.43 N ATOM 41419 C4 U B1976 -832.708 -83.841 114.362 1.00855.43 C ATOM 41420 O4 U B1976 -831.973 -84.821 114.496 1.00855.43 O ATOM 41421 C5 U B1976 -833.733 -83.417 115.277 1.00855.43 C ATOM 41422 C6 U B1976 -834.461 -82.327 115.002 1.00855.43 C ATOM 41423 P C B1977 -839.127 -82.009 111.592 1.00855.43 P ATOM 41424 O1P C B1977 -839.943 -81.394 110.516 1.00855.43 O ATOM 41425 O2P C B1977 -839.758 -82.983 112.524 1.00855.43 O ATOM 41426 O5* C B1977 -837.870 -82.720 110.911 1.00855.43 O ATOM 41427 C5* C B1977 -837.450 -82.351 109.596 1.00855.43 C ATOM 41428 C4* C B1977 -836.657 -83.463 108.949 1.00855.43 C ATOM 41429 O4* C B1977 -835.375 -83.659 109.601 1.00855.43 O ATOM 41430 C3* C B1977 -837.307 -84.836 108.948 1.00855.43 C ATOM 41431 O3* C B1977 -838.277 -84.970 107.918 1.00855.43 O ATOM 41432 C2* C B1977 -836.112 -85.764 108.757 1.00855.43 C ATOM 41433 O2* C B1977 -835.727 -85.895 107.405 1.00855.43 O ATOM 41434 C1* C B1977 -835.010 -85.029 109.526 1.00855.43 C ATOM 41435 N1 C B1977 -834.817 -85.549 110.890 1.00855.43 N ATOM 41436 C2 C B1977 -833.735 -86.405 111.143 1.00855.43 C ATOM 41437 O2 C B1977 -832.944 -86.666 110.221 1.00855.43 O ATOM 41438 N3 C B1977 -833.573 -86.916 112.384 1.00855.43 N ATOM 41439 C4 C B1977 -834.438 -86.600 113.351 1.00855.43 C ATOM 41440 N4 C B1977 -834.258 -87.149 114.555 1.00855.43 N ATOM 41441 C5 C B1977 -835.531 -85.714 113.128 1.00855.43 C ATOM 41442 C6 C B1977 -835.682 -85.216 111.895 1.00855.43 C ATOM 41443 P U B1978 -839.278 -86.218 107.936 1.00855.43 P ATOM 41444 O1P U B1978 -840.245 -86.050 106.825 1.00855.43 O ATOM 41445 O2P U B1978 -839.778 -86.408 109.324 1.00855.43 O ATOM 41446 O5* U B1978 -838.329 -87.438 107.582 1.00855.43 O ATOM 41447 C5* U B1978 -838.621 -88.744 108.036 1.00855.43 C ATOM 41448 C4* U B1978 -837.362 -89.559 108.058 1.00855.43 C ATOM 41449 O4* U B1978 -836.436 -88.996 109.028 1.00855.43 O ATOM 41450 C3* U B1978 -837.541 -90.983 108.493 1.00855.43 C ATOM 41451 O3* U B1978 -837.948 -91.798 107.407 1.00855.43 O ATOM 41452 C2* U B1978 -836.147 -91.338 108.976 1.00855.43 C ATOM 41453 O2* U B1978 -835.287 -91.582 107.882 1.00855.43 O ATOM 41454 C1* U B1978 -835.694 -90.038 109.637 1.00855.43 C ATOM 41455 N1 U B1978 -835.974 -90.021 111.079 1.00855.43 N ATOM 41456 C2 U B1978 -835.041 -90.578 111.942 1.00855.43 C ATOM 41457 O2 U B1978 -833.987 -91.057 111.565 1.00855.43 O ATOM 41458 N3 U B1978 -835.392 -90.545 113.271 1.00855.43 N ATOM 41459 C4 U B1978 -836.554 -90.026 113.805 1.00855.43 C ATOM 41460 O4 U B1978 -836.752 -90.098 115.016 1.00855.43 O ATOM 41461 C5 U B1978 -837.454 -89.465 112.850 1.00855.43 C ATOM 41462 C6 U B1978 -837.143 -89.484 111.554 1.00855.43 C ATOM 41463 P C B1979 -838.851 -93.100 107.687 1.00855.43 P ATOM 41464 O1P C B1979 -838.484 -93.627 109.022 1.00855.43 O ATOM 41465 O2P C B1979 -838.747 -93.981 106.497 1.00855.43 O ATOM 41466 O5* C B1979 -840.341 -92.541 107.767 1.00855.43 O ATOM 41467 C5* C B1979 -840.683 -91.447 108.617 1.00855.43 C ATOM 41468 C4* C B1979 -841.625 -91.902 109.711 1.00855.43 C ATOM 41469 O4* C B1979 -841.086 -93.094 110.334 1.00855.43 O ATOM 41470 C3* C B1979 -841.788 -90.913 110.864 1.00855.43 C ATOM 41471 O3* C B1979 -842.793 -89.933 110.603 1.00855.43 O ATOM 41472 C2* C B1979 -842.177 -91.815 112.032 1.00855.43 C ATOM 41473 O2* C B1979 -843.562 -92.106 112.046 1.00855.43 O ATOM 41474 C1* C B1979 -841.405 -93.102 111.717 1.00855.43 C ATOM 41475 N1 C B1979 -840.148 -93.336 112.461 1.00855.43 N ATOM 41476 C2 C B1979 -840.165 -94.020 113.696 1.00855.43 C ATOM 41477 O2 C B1979 -841.254 -94.400 114.161 1.00855.43 O ATOM 41478 N3 C B1979 -838.984 -94.244 114.347 1.00855.43 N ATOM 41479 C4 C B1979 -837.839 -93.825 113.803 1.00855.43 C ATOM 41480 N4 C B1979 -836.707 -94.091 114.449 1.00855.43 N ATOM 41481 C5 C B1979 -837.803 -93.125 112.563 1.00855.43 C ATOM 41482 C6 C B1979 -838.965 -92.903 111.938 1.00855.43 C ATOM 41483 P A B1980 -842.372 -88.423 110.255 1.00855.43 P ATOM 41484 O1P A B1980 -843.615 -87.634 110.096 1.00855.43 O ATOM 41485 O2P A B1980 -841.375 -88.450 109.158 1.00855.43 O ATOM 41486 O5* A B1980 -841.649 -87.911 111.577 1.00855.43 O ATOM 41487 C5* A B1980 -842.363 -87.786 112.804 1.00855.43 C ATOM 41488 C4* A B1980 -842.056 -88.963 113.692 1.00855.43 C ATOM 41489 O4* A B1980 -840.807 -88.705 114.383 1.00855.43 O ATOM 41490 C3* A B1980 -843.007 -89.236 114.820 1.00855.43 C ATOM 41491 O3* A B1980 -844.152 -89.922 114.326 1.00855.43 O ATOM 41492 C2* A B1980 -842.155 -90.075 115.759 1.00855.43 C ATOM 41493 O2* A B1980 -842.067 -91.426 115.357 1.00855.43 O ATOM 41494 C1* A B1980 -840.799 -89.389 115.619 1.00855.43 C ATOM 41495 N9 A B1980 -840.653 -88.373 116.658 1.00855.43 N ATOM 41496 C8 A B1980 -840.735 -87.012 116.507 1.00855.43 C ATOM 41497 N7 A B1980 -840.611 -86.346 117.625 1.00855.43 N ATOM 41498 C5 A B1980 -840.423 -87.335 118.581 1.00855.43 C ATOM 41499 C6 A B1980 -840.238 -87.284 119.966 1.00855.43 C ATOM 41500 N6 A B1980 -840.214 -86.146 120.664 1.00855.43 N ATOM 41501 N1 A B1980 -840.074 -88.453 120.623 1.00855.43 N ATOM 41502 C2 A B1980 -840.102 -89.590 119.920 1.00855.43 C ATOM 41503 N3 A B1980 -840.276 -89.769 118.616 1.00855.43 N ATOM 41504 C4 A B1980 -840.433 -88.589 117.996 1.00855.43 C ATOM 41505 P A B1981 -845.552 -89.762 115.100 1.00855.43 P ATOM 41506 O1P A B1981 -846.612 -90.479 114.360 1.00855.43 O ATOM 41507 O2P A B1981 -845.741 -88.332 115.460 1.00855.43 O ATOM 41508 O5* A B1981 -845.344 -90.609 116.426 1.00855.43 O ATOM 41509 C5* A B1981 -845.022 -91.988 116.343 1.00855.43 C ATOM 41510 C4* A B1981 -844.614 -92.507 117.689 1.00855.43 C ATOM 41511 O4* A B1981 -843.405 -91.826 118.117 1.00855.43 O ATOM 41512 C3* A B1981 -845.613 -92.233 118.791 1.00855.43 C ATOM 41513 O3* A B1981 -846.639 -93.213 118.819 1.00855.43 O ATOM 41514 C2* A B1981 -844.741 -92.238 120.040 1.00855.43 C ATOM 41515 O2* A B1981 -844.467 -93.546 120.499 1.00855.43 O ATOM 41516 C1* A B1981 -843.458 -91.595 119.515 1.00855.43 C ATOM 41517 N9 A B1981 -843.461 -90.150 119.737 1.00855.43 N ATOM 41518 C8 A B1981 -843.656 -89.155 118.813 1.00855.43 C ATOM 41519 N7 A B1981 -843.632 -87.947 119.324 1.00855.43 N ATOM 41520 C5 A B1981 -843.397 -88.161 120.673 1.00855.43 C ATOM 41521 C6 A B1981 -843.258 -87.280 121.760 1.00855.43 C ATOM 41522 N6 A B1981 -843.350 -85.953 121.657 1.00855.43 N ATOM 41523 N1 A B1981 -843.022 -87.820 122.977 1.00855.43 N ATOM 41524 C2 A B1981 -842.938 -89.152 123.083 1.00855.43 C ATOM 41525 N3 A B1981 -843.051 -90.083 122.136 1.00855.43 N ATOM 41526 C4 A B1981 -843.282 -89.514 120.941 1.00855.43 C ATOM 41527 P C B1982 -848.172 -92.749 118.690 1.00855.43 P ATOM 41528 O1P C B1982 -848.958 -93.922 118.237 1.00855.43 O ATOM 41529 O2P C B1982 -848.215 -91.490 117.902 1.00855.43 O ATOM 41530 O5* C B1982 -848.581 -92.413 120.193 1.00855.43 O ATOM 41531 C5* C B1982 -848.874 -93.462 121.105 1.00855.43 C ATOM 41532 C4* C B1982 -848.828 -92.966 122.530 1.00855.43 C ATOM 41533 O4* C B1982 -847.552 -92.336 122.817 1.00855.43 O ATOM 41534 C3* C B1982 -849.856 -91.915 122.889 1.00855.43 C ATOM 41535 O3* C B1982 -851.111 -92.502 123.207 1.00855.43 O ATOM 41536 C2* C B1982 -849.228 -91.244 124.102 1.00855.43 C ATOM 41537 O2* C B1982 -849.449 -91.979 125.289 1.00855.43 O ATOM 41538 C1* C B1982 -847.744 -91.277 123.746 1.00855.43 C ATOM 41539 N1 C B1982 -847.331 -90.013 123.117 1.00855.43 N ATOM 41540 C2 C B1982 -846.628 -89.072 123.887 1.00855.43 C ATOM 41541 O2 C B1982 -846.343 -89.341 125.064 1.00855.43 O ATOM 41542 N3 C B1982 -846.282 -87.890 123.329 1.00855.43 N ATOM 41543 C4 C B1982 -846.604 -87.633 122.059 1.00855.43 C ATOM 41544 N4 C B1982 -846.253 -86.450 121.553 1.00855.43 N ATOM 41545 C5 C B1982 -847.304 -88.577 121.250 1.00855.43 C ATOM 41546 C6 C B1982 -847.641 -89.743 121.815 1.00855.43 C ATOM 41547 P G B1983 -852.429 -91.580 123.200 1.00855.43 P ATOM 41548 O1P G B1983 -853.595 -92.469 123.444 1.00855.43 O ATOM 41549 O2P G B1983 -852.397 -90.724 121.989 1.00855.43 O ATOM 41550 O5* G B1983 -852.241 -90.648 124.479 1.00855.43 O ATOM 41551 C5* G B1983 -852.382 -91.188 125.784 1.00855.43 C ATOM 41552 C4* G B1983 -851.946 -90.195 126.836 1.00855.43 C ATOM 41553 O4* G B1983 -850.536 -89.870 126.702 1.00855.43 O ATOM 41554 C3* G B1983 -852.654 -88.860 126.801 1.00855.43 C ATOM 41555 O3* G B1983 -853.910 -88.930 127.454 1.00855.43 O ATOM 41556 C2* G B1983 -851.676 -87.955 127.545 1.00855.43 C ATOM 41557 O2* G B1983 -851.795 -88.062 128.949 1.00855.43 O ATOM 41558 C1* G B1983 -850.328 -88.522 127.100 1.00855.43 C ATOM 41559 N9 G B1983 -849.806 -87.750 125.980 1.00855.43 N ATOM 41560 C8 G B1983 -849.860 -88.051 124.639 1.00855.43 C ATOM 41561 N7 G B1983 -849.355 -87.110 123.885 1.00855.43 N ATOM 41562 C5 G B1983 -848.934 -86.136 124.781 1.00855.43 C ATOM 41563 C6 G B1983 -848.317 -84.871 124.559 1.00855.43 C ATOM 41564 O6 G B1983 -848.016 -84.332 123.487 1.00855.43 O ATOM 41565 N1 G B1983 -848.053 -84.215 125.756 1.00855.43 N ATOM 41566 C2 G B1983 -848.346 -84.698 127.006 1.00855.43 C ATOM 41567 N2 G B1983 -848.010 -83.921 128.041 1.00855.43 N ATOM 41568 N3 G B1983 -848.929 -85.865 127.227 1.00855.43 N ATOM 41569 C4 G B1983 -849.191 -86.524 126.079 1.00855.43 C ATOM 41570 P A B1984 -855.111 -88.000 126.932 1.00855.43 P ATOM 41571 O1P A B1984 -856.386 -88.605 127.398 1.00855.43 O ATOM 41572 O2P A B1984 -854.901 -87.750 125.484 1.00855.43 O ATOM 41573 O5* A B1984 -854.883 -86.630 127.713 1.00855.43 O ATOM 41574 C5* A B1984 -854.604 -86.642 129.107 1.00855.43 C ATOM 41575 C4* A B1984 -853.884 -85.379 129.518 1.00855.43 C ATOM 41576 O4* A B1984 -852.740 -85.126 128.666 1.00855.43 O ATOM 41577 C3* A B1984 -854.720 -84.115 129.474 1.00855.43 C ATOM 41578 O3* A B1984 -855.463 -83.963 130.673 1.00855.43 O ATOM 41579 C2* A B1984 -853.667 -83.025 129.310 1.00855.43 C ATOM 41580 O2* A B1984 -853.088 -82.646 130.541 1.00855.43 O ATOM 41581 C1* A B1984 -852.611 -83.729 128.453 1.00855.43 C ATOM 41582 N9 A B1984 -852.772 -83.440 127.028 1.00855.43 N ATOM 41583 C8 A B1984 -853.851 -83.682 126.213 1.00855.43 C ATOM 41584 N7 A B1984 -853.679 -83.281 124.975 1.00855.43 N ATOM 41585 C5 A B1984 -852.398 -82.740 124.974 1.00855.43 C ATOM 41586 C6 A B1984 -851.622 -82.139 123.964 1.00855.43 C ATOM 41587 N6 A B1984 -852.038 -81.974 122.705 1.00855.43 N ATOM 41588 N1 A B1984 -850.385 -81.703 124.296 1.00855.43 N ATOM 41589 C2 A B1984 -849.967 -81.868 125.558 1.00855.43 C ATOM 41590 N3 A B1984 -850.602 -82.417 126.594 1.00855.43 N ATOM 41591 C4 A B1984 -851.828 -82.835 126.230 1.00855.43 C ATOM 41592 P G B1985 -856.782 -83.042 130.671 1.00855.43 P ATOM 41593 O1P G B1985 -857.436 -83.187 131.996 1.00855.43 O ATOM 41594 O2P G B1985 -857.554 -83.324 129.434 1.00855.43 O ATOM 41595 O5* G B1985 -856.201 -81.564 130.575 1.00855.43 O ATOM 41596 C5* G B1985 -856.621 -80.567 131.496 1.00855.43 C ATOM 41597 C4* G B1985 -856.689 -79.217 130.827 1.00855.43 C ATOM 41598 O4* G B1985 -855.428 -78.917 130.183 1.00855.43 O ATOM 41599 C3* G B1985 -857.733 -79.058 129.735 1.00855.43 C ATOM 41600 O3* G B1985 -859.015 -78.747 130.258 1.00855.43 O ATOM 41601 C2* G B1985 -857.171 -77.908 128.913 1.00855.43 C ATOM 41602 O2* G B1985 -857.477 -76.643 129.468 1.00855.43 O ATOM 41603 C1* G B1985 -855.669 -78.163 129.010 1.00855.43 C ATOM 41604 N9 G B1985 -855.199 -78.926 127.863 1.00855.43 N ATOM 41605 C8 G B1985 -854.934 -80.272 127.797 1.00855.43 C ATOM 41606 N7 G B1985 -854.555 -80.660 126.610 1.00855.43 N ATOM 41607 C5 G B1985 -854.564 -79.499 125.851 1.00855.43 C ATOM 41608 C6 G B1985 -854.248 -79.288 124.485 1.00855.43 C ATOM 41609 O6 G B1985 -853.881 -80.115 123.641 1.00855.43 O ATOM 41610 N1 G B1985 -854.394 -77.950 124.129 1.00855.43 N ATOM 41611 C2 G B1985 -854.797 -76.946 124.974 1.00855.43 C ATOM 41612 N2 G B1985 -854.886 -75.718 124.442 1.00855.43 N ATOM 41613 N3 G B1985 -855.092 -77.129 126.246 1.00855.43 N ATOM 41614 C4 G B1985 -854.956 -78.421 126.616 1.00855.43 C ATOM 41615 P G B1986 -860.322 -79.015 129.364 1.00855.43 P ATOM 41616 O1P G B1986 -861.497 -78.537 130.135 1.00855.43 O ATOM 41617 O2P G B1986 -860.281 -80.420 128.887 1.00855.43 O ATOM 41618 O5* G B1986 -860.128 -78.053 128.111 1.00855.43 O ATOM 41619 C5* G B1986 -860.329 -76.649 128.236 1.00855.43 C ATOM 41620 C4* G B1986 -859.840 -75.936 126.997 1.00855.43 C ATOM 41621 O4* G B1986 -858.504 -76.384 126.661 1.00855.43 O ATOM 41622 C3* G B1986 -860.662 -76.167 125.733 1.00855.43 C ATOM 41623 O3* G B1986 -861.799 -75.312 125.650 1.00855.43 O ATOM 41624 C2* G B1986 -859.651 -75.899 124.627 1.00855.43 C ATOM 41625 O2* G B1986 -859.513 -74.521 124.337 1.00855.43 O ATOM 41626 C1* G B1986 -858.356 -76.426 125.249 1.00855.43 C ATOM 41627 N9 G B1986 -858.070 -77.805 124.865 1.00855.43 N ATOM 41628 C8 G B1986 -858.205 -78.928 125.647 1.00855.43 C ATOM 41629 N7 G B1986 -857.881 -80.025 125.024 1.00855.43 N ATOM 41630 C5 G B1986 -857.507 -79.602 123.754 1.00855.43 C ATOM 41631 C6 G B1986 -857.061 -80.347 122.635 1.00855.43 C ATOM 41632 O6 G B1986 -856.902 -81.571 122.538 1.00855.43 O ATOM 41633 N1 G B1986 -856.795 -79.519 121.548 1.00855.43 N ATOM 41634 C2 G B1986 -856.937 -78.152 121.538 1.00855.43 C ATOM 41635 N2 G B1986 -856.635 -77.532 120.390 1.00855.43 N ATOM 41636 N3 G B1986 -857.352 -77.449 122.577 1.00855.43 N ATOM 41637 C4 G B1986 -857.618 -78.232 123.644 1.00855.43 C ATOM 41638 P G B1987 -863.182 -75.887 125.073 1.00855.43 P ATOM 41639 O1P G B1987 -864.288 -75.246 125.828 1.00855.43 O ATOM 41640 O2P G B1987 -863.089 -77.367 125.025 1.00855.43 O ATOM 41641 O5* G B1987 -863.227 -75.341 123.575 1.00855.43 O ATOM 41642 C5* G B1987 -864.020 -75.986 122.590 1.00855.43 C ATOM 41643 C4* G B1987 -863.495 -75.680 121.207 1.00855.43 C ATOM 41644 O4* G B1987 -862.045 -75.684 121.230 1.00855.43 O ATOM 41645 C3* G B1987 -863.873 -76.653 120.118 1.00855.43 C ATOM 41646 O3* G B1987 -865.151 -76.302 119.607 1.00855.43 O ATOM 41647 C2* G B1987 -862.744 -76.496 119.107 1.00855.43 C ATOM 41648 O2* G B1987 -862.932 -75.392 118.248 1.00855.43 O ATOM 41649 C1* G B1987 -861.548 -76.245 120.028 1.00855.43 C ATOM 41650 N9 G B1987 -860.860 -77.479 120.395 1.00855.43 N ATOM 41651 C8 G B1987 -860.414 -77.816 121.648 1.00855.43 C ATOM 41652 N7 G B1987 -859.850 -78.990 121.693 1.00855.43 N ATOM 41653 C5 G B1987 -859.927 -79.458 120.390 1.00855.43 C ATOM 41654 C6 G B1987 -859.485 -80.680 119.832 1.00855.43 C ATOM 41655 O6 G B1987 -858.920 -81.624 120.393 1.00855.43 O ATOM 41656 N1 G B1987 -859.760 -80.749 118.470 1.00855.43 N ATOM 41657 C2 G B1987 -860.381 -79.767 117.739 1.00855.43 C ATOM 41658 N2 G B1987 -860.560 -80.026 116.436 1.00855.43 N ATOM 41659 N3 G B1987 -860.802 -78.620 118.250 1.00855.43 N ATOM 41660 C4 G B1987 -860.544 -78.534 119.571 1.00855.43 C ATOM 41661 P A B1988 -865.924 -77.331 118.645 1.00855.43 P ATOM 41662 O1P A B1988 -867.100 -76.625 118.079 1.00855.43 O ATOM 41663 O2P A B1988 -866.117 -78.603 119.389 1.00855.43 O ATOM 41664 O5* A B1988 -864.887 -77.596 117.464 1.00855.43 O ATOM 41665 C5* A B1988 -865.318 -77.618 116.110 1.00855.43 C ATOM 41666 C4* A B1988 -865.151 -79.002 115.524 1.00855.43 C ATOM 41667 O4* A B1988 -863.824 -79.513 115.814 1.00855.43 O ATOM 41668 C3* A B1988 -866.112 -80.039 116.077 1.00855.43 C ATOM 41669 O3* A B1988 -867.344 -80.014 115.372 1.00855.43 O ATOM 41670 C2* A B1988 -865.349 -81.341 115.881 1.00855.43 C ATOM 41671 O2* A B1988 -865.483 -81.857 114.572 1.00855.43 O ATOM 41672 C1* A B1988 -863.905 -80.896 116.108 1.00855.43 C ATOM 41673 N9 A B1988 -863.468 -81.104 117.490 1.00855.43 N ATOM 41674 C8 A B1988 -863.688 -80.295 118.576 1.00855.43 C ATOM 41675 N7 A B1988 -863.171 -80.760 119.691 1.00855.43 N ATOM 41676 C5 A B1988 -862.571 -81.949 119.309 1.00855.43 C ATOM 41677 C6 A B1988 -861.851 -82.920 120.028 1.00855.43 C ATOM 41678 N6 A B1988 -861.603 -82.841 121.338 1.00855.43 N ATOM 41679 N1 A B1988 -861.388 -83.991 119.348 1.00855.43 N ATOM 41680 C2 A B1988 -861.635 -84.070 118.035 1.00855.43 C ATOM 41681 N3 A B1988 -862.298 -83.225 117.249 1.00855.43 N ATOM 41682 C4 A B1988 -862.746 -82.173 117.956 1.00855.43 C ATOM 41683 P C B1989 -868.698 -79.670 116.165 1.00855.43 P ATOM 41684 O1P C B1989 -869.700 -79.187 115.180 1.00855.43 O ATOM 41685 O2P C B1989 -868.344 -78.824 117.333 1.00855.43 O ATOM 41686 O5* C B1989 -869.186 -81.084 116.714 1.00855.43 O ATOM 41687 C5* C B1989 -870.037 -81.924 115.944 1.00855.43 C ATOM 41688 C4* C B1989 -870.329 -83.192 116.707 1.00855.43 C ATOM 41689 O4* C B1989 -869.077 -83.731 117.207 1.00855.43 O ATOM 41690 C3* C B1989 -871.212 -83.088 117.937 1.00855.43 C ATOM 41691 O3* C B1989 -872.587 -83.126 117.571 1.00855.43 O ATOM 41692 C2* C B1989 -870.785 -84.287 118.764 1.00855.43 C ATOM 41693 O2* C B1989 -871.396 -85.488 118.336 1.00855.43 O ATOM 41694 C1* C B1989 -869.280 -84.334 118.475 1.00855.43 C ATOM 41695 N1 C B1989 -868.511 -83.556 119.458 1.00855.43 N ATOM 41696 C2 C B1989 -868.450 -83.998 120.781 1.00855.43 C ATOM 41697 O2 C B1989 -869.027 -85.048 121.095 1.00855.43 O ATOM 41698 N3 C B1989 -867.761 -83.267 121.688 1.00855.43 N ATOM 41699 C4 C B1989 -867.147 -82.142 121.312 1.00855.43 C ATOM 41700 N4 C B1989 -866.487 -81.444 122.240 1.00855.43 N ATOM 41701 C5 C B1989 -867.183 -81.681 119.966 1.00855.43 C ATOM 41702 C6 C B1989 -867.868 -82.411 119.083 1.00855.43 C ATOM 41703 P U B1990 -873.701 -82.673 118.638 1.00855.43 P ATOM 41704 O1P U B1990 -875.025 -82.753 117.975 1.00855.43 O ATOM 41705 O2P U B1990 -873.262 -81.388 119.244 1.00855.43 O ATOM 41706 O5* U B1990 -873.635 -83.797 119.761 1.00855.43 O ATOM 41707 C5* U B1990 -874.573 -84.868 119.781 1.00855.43 C ATOM 41708 C4* U B1990 -875.386 -84.823 121.048 1.00855.43 C ATOM 41709 O4* U B1990 -874.510 -85.008 122.189 1.00855.43 O ATOM 41710 C3* U B1990 -876.117 -83.517 121.336 1.00855.43 C ATOM 41711 O3* U B1990 -877.368 -83.435 120.666 1.00855.43 O ATOM 41712 C2* U B1990 -876.269 -83.544 122.854 1.00855.43 C ATOM 41713 O2* U B1990 -877.381 -84.308 123.271 1.00855.43 O ATOM 41714 C1* U B1990 -874.977 -84.240 123.281 1.00855.43 C ATOM 41715 N1 U B1990 -873.912 -83.298 123.662 1.00855.43 N ATOM 41716 C2 U B1990 -873.936 -82.785 124.945 1.00855.43 C ATOM 41717 O2 U B1990 -874.798 -83.071 125.757 1.00855.43 O ATOM 41718 N3 U B1990 -872.909 -81.923 125.240 1.00855.43 N ATOM 41719 C4 U B1990 -871.888 -81.526 124.401 1.00855.43 C ATOM 41720 O4 U B1990 -871.029 -80.748 124.819 1.00855.43 O ATOM 41721 C5 U B1990 -871.939 -82.093 123.091 1.00855.43 C ATOM 41722 C6 U B1990 -872.924 -82.944 122.773 1.00855.43 C ATOM 41723 P C B1991 -877.968 -81.996 120.286 1.00855.43 P ATOM 41724 O1P C B1991 -879.321 -82.214 119.713 1.00855.43 O ATOM 41725 O2P C B1991 -876.950 -81.254 119.500 1.00855.43 O ATOM 41726 O5* C B1991 -878.139 -81.271 121.694 1.00855.43 O ATOM 41727 C5* C B1991 -879.120 -81.716 122.623 1.00855.43 C ATOM 41728 C4* C B1991 -879.268 -80.727 123.757 1.00855.43 C ATOM 41729 O4* C B1991 -878.079 -80.730 124.589 1.00855.43 O ATOM 41730 C3* C B1991 -879.442 -79.262 123.341 1.00855.43 C ATOM 41731 O3* C B1991 -880.749 -78.871 122.946 1.00855.43 O ATOM 41732 C2* C B1991 -878.984 -78.521 124.594 1.00855.43 C ATOM 41733 O2* C B1991 -879.999 -78.425 125.571 1.00855.43 O ATOM 41734 C1* C B1991 -877.863 -79.429 125.108 1.00855.43 C ATOM 41735 N1 C B1991 -876.523 -78.972 124.707 1.00855.43 N ATOM 41736 C2 C B1991 -876.024 -77.789 125.261 1.00855.43 C ATOM 41737 O2 C B1991 -876.718 -77.173 126.081 1.00855.43 O ATOM 41738 N3 C B1991 -874.801 -77.349 124.893 1.00855.43 N ATOM 41739 C4 C B1991 -874.082 -78.039 124.007 1.00855.43 C ATOM 41740 N4 C B1991 -872.882 -77.555 123.673 1.00855.43 N ATOM 41741 C5 C B1991 -874.564 -79.248 123.428 1.00855.43 C ATOM 41742 C6 C B1991 -875.776 -79.675 123.804 1.00855.43 C ATOM 41743 P G B1992 -880.956 -77.504 122.129 1.00855.43 P ATOM 41744 O1P G B1992 -882.283 -77.574 121.470 1.00855.43 O ATOM 41745 O2P G B1992 -879.740 -77.259 121.311 1.00855.43 O ATOM 41746 O5* G B1992 -881.024 -76.395 123.265 1.00855.43 O ATOM 41747 C5* G B1992 -882.076 -76.411 124.225 1.00855.43 C ATOM 41748 C4* G B1992 -881.869 -75.332 125.262 1.00855.43 C ATOM 41749 O4* G B1992 -880.722 -75.642 126.094 1.00855.43 O ATOM 41750 C3* G B1992 -881.590 -73.932 124.759 1.00855.43 C ATOM 41751 O3* G B1992 -882.789 -73.271 124.379 1.00855.43 O ATOM 41752 C2* G B1992 -880.925 -73.275 125.961 1.00855.43 C ATOM 41753 O2* G B1992 -881.855 -72.804 126.917 1.00855.43 O ATOM 41754 C1* G B1992 -880.122 -74.438 126.546 1.00855.43 C ATOM 41755 N9 G B1992 -878.745 -74.393 126.074 1.00855.43 N ATOM 41756 C8 G B1992 -878.250 -74.905 124.900 1.00855.43 C ATOM 41757 N7 G B1992 -876.980 -74.658 124.728 1.00855.43 N ATOM 41758 C5 G B1992 -876.612 -73.951 125.861 1.00855.43 C ATOM 41759 C6 G B1992 -875.363 -73.396 126.235 1.00855.43 C ATOM 41760 O6 G B1992 -874.297 -73.409 125.608 1.00855.43 O ATOM 41761 N1 G B1992 -875.428 -72.767 127.475 1.00855.43 N ATOM 41762 C2 G B1992 -876.553 -72.671 128.251 1.00855.43 C ATOM 41763 N2 G B1992 -876.406 -72.023 129.417 1.00855.43 N ATOM 41764 N3 G B1992 -877.730 -73.171 127.911 1.00855.43 N ATOM 41765 C4 G B1992 -877.687 -73.792 126.712 1.00855.43 C ATOM 41766 P G B1993 -882.877 -72.573 122.935 1.00855.43 P ATOM 41767 O1P G B1993 -884.307 -72.280 122.663 1.00855.43 O ATOM 41768 O2P G B1993 -882.103 -73.396 121.967 1.00855.43 O ATOM 41769 O5* G B1993 -882.115 -71.191 123.137 1.00855.43 O ATOM 41770 C5* G B1993 -882.776 -70.089 123.748 1.00855.43 C ATOM 41771 C4* G B1993 -881.836 -68.918 123.901 1.00855.43 C ATOM 41772 O4* G B1993 -880.657 -69.293 124.661 1.00855.43 O ATOM 41773 C3* G B1993 -881.296 -68.307 122.633 1.00855.43 C ATOM 41774 O3* G B1993 -882.242 -67.410 122.072 1.00855.43 O ATOM 41775 C2* G B1993 -880.044 -67.585 123.116 1.00855.43 C ATOM 41776 O2* G B1993 -880.333 -66.310 123.651 1.00855.43 O ATOM 41777 C1* G B1993 -879.554 -68.516 124.228 1.00855.43 C ATOM 41778 N9 G B1993 -878.506 -69.411 123.751 1.00855.43 N ATOM 41779 C8 G B1993 -878.572 -70.288 122.695 1.00855.43 C ATOM 41780 N7 G B1993 -877.454 -70.933 122.494 1.00855.43 N ATOM 41781 C5 G B1993 -876.599 -70.456 123.480 1.00855.43 C ATOM 41782 C6 G B1993 -875.245 -70.778 123.761 1.00855.43 C ATOM 41783 O6 G B1993 -874.503 -71.575 123.176 1.00855.43 O ATOM 41784 N1 G B1993 -874.763 -70.059 124.851 1.00855.43 N ATOM 41785 C2 G B1993 -875.483 -69.145 125.575 1.00855.43 C ATOM 41786 N2 G B1993 -874.836 -68.553 126.592 1.00855.43 N ATOM 41787 N3 G B1993 -876.746 -68.831 125.322 1.00855.43 N ATOM 41788 C4 G B1993 -877.235 -69.521 124.269 1.00855.43 C ATOM 41789 P U B1994 -882.188 -67.093 120.499 1.00855.43 P ATOM 41790 O1P U B1994 -883.393 -66.295 120.155 1.00855.43 O ATOM 41791 O2P U B1994 -881.920 -68.364 119.777 1.00855.43 O ATOM 41792 O5* U B1994 -880.909 -66.158 120.345 1.00855.43 O ATOM 41793 C5* U B1994 -880.914 -64.832 120.864 1.00855.43 C ATOM 41794 C4* U B1994 -879.503 -64.302 120.957 1.00855.43 C ATOM 41795 O4* U B1994 -878.680 -65.232 121.709 1.00855.43 O ATOM 41796 C3* U B1994 -878.764 -64.132 119.650 1.00855.43 C ATOM 41797 O3* U B1994 -879.119 -62.899 119.036 1.00855.43 O ATOM 41798 C2* U B1994 -877.308 -64.175 120.083 1.00855.43 C ATOM 41799 O2* U B1994 -876.846 -62.937 120.589 1.00855.43 O ATOM 41800 C1* U B1994 -877.356 -65.220 121.196 1.00855.43 C ATOM 41801 N1 U B1994 -877.066 -66.544 120.631 1.00855.43 N ATOM 41802 C2 U B1994 -875.743 -66.909 120.495 1.00855.43 C ATOM 41803 O2 U B1994 -874.816 -66.207 120.868 1.00855.43 O ATOM 41804 N3 U B1994 -875.536 -68.132 119.905 1.00855.43 N ATOM 41805 C4 U B1994 -876.500 -69.006 119.451 1.00855.43 C ATOM 41806 O4 U B1994 -876.155 -70.058 118.908 1.00855.43 O ATOM 41807 C5 U B1994 -877.847 -68.566 119.650 1.00855.43 C ATOM 41808 C6 U B1994 -878.077 -67.382 120.223 1.00855.43 C ATOM 41809 P G B1995 -879.347 -62.859 117.442 1.00855.43 P ATOM 41810 O1P G B1995 -879.399 -61.448 116.999 1.00855.43 O ATOM 41811 O2P G B1995 -880.475 -63.769 117.122 1.00855.43 O ATOM 41812 O5* G B1995 -878.011 -63.496 116.850 1.00855.43 O ATOM 41813 C5* G B1995 -876.880 -62.681 116.563 1.00855.43 C ATOM 41814 C4* G B1995 -875.907 -63.430 115.686 1.00855.43 C ATOM 41815 O4* G B1995 -875.541 -64.682 116.325 1.00855.43 O ATOM 41816 C3* G B1995 -876.386 -63.846 114.316 1.00855.43 C ATOM 41817 O3* G B1995 -876.293 -62.782 113.384 1.00855.43 O ATOM 41818 C2* G B1995 -875.466 -65.010 113.970 1.00855.43 C ATOM 41819 O2* G B1995 -874.219 -64.580 113.460 1.00855.43 O ATOM 41820 C1* G B1995 -875.269 -65.663 115.337 1.00855.43 C ATOM 41821 N9 G B1995 -876.190 -66.772 115.550 1.00855.43 N ATOM 41822 C8 G B1995 -877.559 -66.698 115.623 1.00855.43 C ATOM 41823 N7 G B1995 -878.129 -67.857 115.808 1.00855.43 N ATOM 41824 C5 G B1995 -877.072 -68.751 115.864 1.00855.43 C ATOM 41825 C6 G B1995 -877.069 -70.156 116.047 1.00855.43 C ATOM 41826 O6 G B1995 -878.031 -70.914 116.208 1.00855.43 O ATOM 41827 N1 G B1995 -875.777 -70.671 116.040 1.00855.43 N ATOM 41828 C2 G B1995 -874.633 -69.931 115.873 1.00855.43 C ATOM 41829 N2 G B1995 -873.483 -70.615 115.895 1.00855.43 N ATOM 41830 N3 G B1995 -874.622 -68.619 115.698 1.00855.43 N ATOM 41831 C4 G B1995 -875.866 -68.100 115.706 1.00855.43 C ATOM 41832 P A B1996 -877.146 -62.840 112.023 1.00855.43 P ATOM 41833 O1P A B1996 -878.562 -62.596 112.384 1.00855.43 O ATOM 41834 O2P A B1996 -876.780 -64.071 111.278 1.00855.43 O ATOM 41835 O5* A B1996 -876.624 -61.577 111.208 1.00855.43 O ATOM 41836 C5* A B1996 -876.499 -60.317 111.853 1.00855.43 C ATOM 41837 C4* A B1996 -875.054 -59.887 111.911 1.00855.43 C ATOM 41838 O4* A B1996 -874.283 -60.826 112.709 1.00855.43 O ATOM 41839 C3* A B1996 -874.371 -59.849 110.559 1.00855.43 C ATOM 41840 O3* A B1996 -874.593 -58.597 109.926 1.00855.43 O ATOM 41841 C2* A B1996 -872.905 -60.064 110.921 1.00855.43 C ATOM 41842 O2* A B1996 -872.236 -58.895 111.330 1.00855.43 O ATOM 41843 C1* A B1996 -873.009 -61.006 112.117 1.00855.43 C ATOM 41844 N9 A B1996 -872.859 -62.388 111.673 1.00855.43 N ATOM 41845 C8 A B1996 -873.613 -63.128 110.800 1.00855.43 C ATOM 41846 N7 A B1996 -873.147 -64.339 110.601 1.00855.43 N ATOM 41847 C5 A B1996 -872.013 -64.398 111.402 1.00855.43 C ATOM 41848 C6 A B1996 -871.064 -65.406 111.639 1.00855.43 C ATOM 41849 N6 A B1996 -871.095 -66.606 111.058 1.00855.43 N ATOM 41850 N1 A B1996 -870.063 -65.137 112.505 1.00855.43 N ATOM 41851 C2 A B1996 -870.024 -63.932 113.083 1.00855.43 C ATOM 41852 N3 A B1996 -870.849 -62.902 112.938 1.00855.43 N ATOM 41853 C4 A B1996 -871.833 -63.205 112.075 1.00855.43 C ATOM 41854 P A B1997 -874.887 -58.552 108.345 1.00855.43 P ATOM 41855 O1P A B1997 -875.783 -57.399 108.084 1.00855.43 O ATOM 41856 O2P A B1997 -875.296 -59.911 107.905 1.00855.43 O ATOM 41857 O5* A B1997 -873.469 -58.228 107.702 1.00855.43 O ATOM 41858 C5* A B1997 -872.683 -57.161 108.209 1.00855.43 C ATOM 41859 C4* A B1997 -871.221 -57.542 108.236 1.00855.43 C ATOM 41860 O4* A B1997 -871.037 -58.762 108.996 1.00855.43 O ATOM 41861 C3* A B1997 -870.578 -57.811 106.897 1.00855.43 C ATOM 41862 O3* A B1997 -870.175 -56.581 106.308 1.00855.43 O ATOM 41863 C2* A B1997 -869.403 -58.709 107.264 1.00855.43 C ATOM 41864 O2* A B1997 -868.278 -57.974 107.700 1.00855.43 O ATOM 41865 C1* A B1997 -869.969 -59.504 108.443 1.00855.43 C ATOM 41866 N9 A B1997 -870.491 -60.819 108.067 1.00855.43 N ATOM 41867 C8 A B1997 -871.535 -61.089 107.220 1.00855.43 C ATOM 41868 N7 A B1997 -871.787 -62.367 107.083 1.00855.43 N ATOM 41869 C5 A B1997 -870.845 -62.981 107.896 1.00855.43 C ATOM 41870 C6 A B1997 -870.589 -64.332 108.190 1.00855.43 C ATOM 41871 N6 A B1997 -871.286 -65.347 107.678 1.00855.43 N ATOM 41872 N1 A B1997 -869.577 -64.607 109.044 1.00855.43 N ATOM 41873 C2 A B1997 -868.880 -63.587 109.557 1.00855.43 C ATOM 41874 N3 A B1997 -869.027 -62.278 109.358 1.00855.43 N ATOM 41875 C4 A B1997 -870.039 -62.040 108.507 1.00855.43 C ATOM 41876 P A B1998 -870.402 -56.337 104.740 1.00855.43 P ATOM 41877 O1P A B1998 -870.266 -54.880 104.491 1.00855.43 O ATOM 41878 O2P A B1998 -871.648 -57.037 104.334 1.00855.43 O ATOM 41879 O5* A B1998 -869.166 -57.073 104.060 1.00855.43 O ATOM 41880 C5* A B1998 -867.954 -56.372 103.806 1.00855.43 C ATOM 41881 C4* A B1998 -866.956 -57.290 103.144 1.00855.43 C ATOM 41882 O4* A B1998 -866.805 -58.482 103.951 1.00855.43 O ATOM 41883 C3* A B1998 -867.356 -57.795 101.775 1.00855.43 C ATOM 41884 O3* A B1998 -866.977 -56.862 100.778 1.00855.43 O ATOM 41885 C2* A B1998 -866.608 -59.117 101.665 1.00855.43 C ATOM 41886 O2* A B1998 -865.268 -58.948 101.252 1.00855.43 O ATOM 41887 C1* A B1998 -866.648 -59.614 103.111 1.00855.43 C ATOM 41888 N9 A B1998 -867.770 -60.521 103.368 1.00855.43 N ATOM 41889 C8 A B1998 -869.056 -60.398 102.910 1.00855.43 C ATOM 41890 N7 A B1998 -869.849 -61.370 103.293 1.00855.43 N ATOM 41891 C5 A B1998 -869.029 -62.186 104.059 1.00855.43 C ATOM 41892 C6 A B1998 -869.271 -63.385 104.752 1.00855.43 C ATOM 41893 N6 A B1998 -870.457 -63.992 104.788 1.00855.43 N ATOM 41894 N1 A B1998 -868.236 -63.942 105.417 1.00855.43 N ATOM 41895 C2 A B1998 -867.049 -63.332 105.380 1.00855.43 C ATOM 41896 N3 A B1998 -866.701 -62.206 104.768 1.00855.43 N ATOM 41897 C4 A B1998 -867.746 -61.673 104.116 1.00855.43 C ATOM 41898 P U B1999 -868.037 -56.439 99.646 1.00855.43 P ATOM 41899 O1P U B1999 -867.294 -55.707 98.589 1.00855.43 O ATOM 41900 O2P U B1999 -869.197 -55.795 100.309 1.00855.43 O ATOM 41901 O5* U B1999 -868.519 -57.831 99.037 1.00855.43 O ATOM 41902 C5* U B1999 -867.597 -58.706 98.395 1.00855.43 C ATOM 41903 C4* U B1999 -868.272 -60.004 98.030 1.00855.43 C ATOM 41904 O4* U B1999 -868.944 -60.559 99.192 1.00855.43 O ATOM 41905 C3* U B1999 -869.347 -59.899 96.964 1.00855.43 C ATOM 41906 O3* U B1999 -868.770 -59.954 95.669 1.00855.43 O ATOM 41907 C2* U B1999 -870.231 -61.106 97.258 1.00855.43 C ATOM 41908 O2* U B1999 -869.730 -62.293 96.680 1.00855.43 O ATOM 41909 C1* U B1999 -870.144 -61.199 98.783 1.00855.43 C ATOM 41910 N1 U B1999 -871.275 -60.540 99.450 1.00855.43 N ATOM 41911 C2 U B1999 -872.479 -61.220 99.502 1.00855.43 C ATOM 41912 O2 U B1999 -872.629 -62.332 99.030 1.00855.43 O ATOM 41913 N3 U B1999 -873.500 -60.546 100.123 1.00855.43 N ATOM 41914 C4 U B1999 -873.444 -59.288 100.683 1.00855.43 C ATOM 41915 O4 U B1999 -874.459 -58.805 101.191 1.00855.43 O ATOM 41916 C5 U B1999 -872.165 -58.651 100.596 1.00855.43 C ATOM 41917 C6 U B1999 -871.148 -59.282 99.996 1.00855.43 C ATOM 41918 P U B2000 -869.563 -59.330 94.420 1.00855.43 P ATOM 41919 O1P U B2000 -868.672 -59.402 93.234 1.00855.43 O ATOM 41920 O2P U B2000 -870.124 -58.020 94.835 1.00855.43 O ATOM 41921 O5* U B2000 -870.774 -60.338 94.195 1.00855.43 O ATOM 41922 C5* U B2000 -870.537 -61.658 93.716 1.00855.43 C ATOM 41923 C4* U B2000 -871.787 -62.493 93.850 1.00855.43 C ATOM 41924 O4* U B2000 -872.240 -62.460 95.225 1.00855.43 O ATOM 41925 C3* U B2000 -872.971 -62.046 93.016 1.00855.43 C ATOM 41926 O3* U B2000 -872.911 -62.672 91.742 1.00855.43 O ATOM 41927 C2* U B2000 -874.169 -62.532 93.824 1.00855.43 C ATOM 41928 O2* U B2000 -874.467 -63.891 93.563 1.00855.43 O ATOM 41929 C1* U B2000 -873.654 -62.400 95.257 1.00855.43 C ATOM 41930 N1 U B2000 -874.054 -61.169 95.951 1.00855.43 N ATOM 41931 C2 U B2000 -875.267 -61.162 96.626 1.00855.43 C ATOM 41932 O2 U B2000 -876.033 -62.100 96.631 1.00855.43 O ATOM 41933 N3 U B2000 -875.555 -59.997 97.288 1.00855.43 N ATOM 41934 C4 U B2000 -874.788 -58.859 97.329 1.00855.43 C ATOM 41935 O4 U B2000 -875.183 -57.893 97.982 1.00855.43 O ATOM 41936 C5 U B2000 -873.567 -58.931 96.586 1.00855.43 C ATOM 41937 C6 U B2000 -873.253 -60.058 95.938 1.00855.43 C ATOM 41938 P G B2001 -873.769 -62.077 90.524 1.00855.43 P ATOM 41939 O1P G B2001 -873.330 -62.777 89.291 1.00855.43 O ATOM 41940 O2P G B2001 -873.694 -60.595 90.592 1.00855.43 O ATOM 41941 O5* G B2001 -875.262 -62.521 90.852 1.00855.43 O ATOM 41942 C5* G B2001 -876.329 -61.582 90.788 1.00855.43 C ATOM 41943 C4* G B2001 -877.506 -62.174 90.048 1.00855.43 C ATOM 41944 O4* G B2001 -877.163 -62.357 88.654 1.00855.43 O ATOM 41945 C3* G B2001 -877.979 -63.547 90.513 1.00855.43 C ATOM 41946 O3* G B2001 -878.854 -63.480 91.636 1.00855.43 O ATOM 41947 C2* G B2001 -878.683 -64.090 89.273 1.00855.43 C ATOM 41948 O2* G B2001 -880.015 -63.632 89.164 1.00855.43 O ATOM 41949 C1* G B2001 -877.848 -63.485 88.139 1.00855.43 C ATOM 41950 N9 G B2001 -876.871 -64.410 87.571 1.00855.43 N ATOM 41951 C8 G B2001 -875.510 -64.417 87.773 1.00855.43 C ATOM 41952 N7 G B2001 -874.901 -65.366 87.114 1.00855.43 N ATOM 41953 C5 G B2001 -875.919 -66.025 86.442 1.00855.43 C ATOM 41954 C6 G B2001 -875.869 -67.145 85.566 1.00855.43 C ATOM 41955 O6 G B2001 -874.884 -67.792 85.196 1.00855.43 O ATOM 41956 N1 G B2001 -877.138 -67.487 85.106 1.00855.43 N ATOM 41957 C2 G B2001 -878.302 -66.845 85.445 1.00855.43 C ATOM 41958 N2 G B2001 -879.427 -67.331 84.901 1.00855.43 N ATOM 41959 N3 G B2001 -878.360 -65.804 86.260 1.00855.43 N ATOM 41960 C4 G B2001 -877.141 -65.452 86.714 1.00855.43 C ATOM 41961 P A B2002 -878.966 -64.730 92.643 1.00855.43 P ATOM 41962 O1P A B2002 -880.037 -64.414 93.618 1.00855.43 O ATOM 41963 O2P A B2002 -877.602 -65.061 93.131 1.00855.43 O ATOM 41964 O5* A B2002 -879.479 -65.939 91.735 1.00855.43 O ATOM 41965 C5* A B2002 -880.831 -66.005 91.287 1.00855.43 C ATOM 41966 C4* A B2002 -880.959 -67.024 90.179 1.00855.43 C ATOM 41967 O4* A B2002 -879.978 -66.711 89.162 1.00855.43 O ATOM 41968 C3* A B2002 -880.711 -68.493 90.510 1.00855.43 C ATOM 41969 O3* A B2002 -881.866 -69.123 91.065 1.00855.43 O ATOM 41970 C2* A B2002 -880.296 -69.070 89.163 1.00855.43 C ATOM 41971 O2* A B2002 -881.403 -69.387 88.342 1.00855.43 O ATOM 41972 C1* A B2002 -879.520 -67.902 88.550 1.00855.43 C ATOM 41973 N9 A B2002 -878.079 -67.969 88.778 1.00855.43 N ATOM 41974 C8 A B2002 -877.362 -67.201 89.664 1.00855.43 C ATOM 41975 N7 A B2002 -876.080 -67.462 89.673 1.00855.43 N ATOM 41976 C5 A B2002 -875.940 -68.469 88.732 1.00855.43 C ATOM 41977 C6 A B2002 -874.821 -69.184 88.279 1.00855.43 C ATOM 41978 N6 A B2002 -873.579 -68.981 88.728 1.00855.43 N ATOM 41979 N1 A B2002 -875.021 -70.127 87.330 1.00855.43 N ATOM 41980 C2 A B2002 -876.264 -70.326 86.882 1.00855.43 C ATOM 41981 N3 A B2002 -877.395 -69.720 87.229 1.00855.43 N ATOM 41982 C4 A B2002 -877.162 -68.792 88.172 1.00855.43 C ATOM 41983 P A B2003 -881.714 -70.268 92.191 1.00855.43 P ATOM 41984 O1P A B2003 -883.060 -70.869 92.373 1.00855.43 O ATOM 41985 O2P A B2003 -881.008 -69.685 93.362 1.00855.43 O ATOM 41986 O5* A B2003 -880.773 -71.380 91.543 1.00855.43 O ATOM 41987 C5* A B2003 -880.497 -72.591 92.241 1.00855.43 C ATOM 41988 C4* A B2003 -880.093 -73.677 91.268 1.00855.43 C ATOM 41989 O4* A B2003 -878.819 -73.343 90.667 1.00855.43 O ATOM 41990 C3* A B2003 -879.882 -75.062 91.875 1.00855.43 C ATOM 41991 O3* A B2003 -881.101 -75.785 92.017 1.00855.43 O ATOM 41992 C2* A B2003 -878.921 -75.718 90.893 1.00855.43 C ATOM 41993 O2* A B2003 -879.583 -76.284 89.780 1.00855.43 O ATOM 41994 C1* A B2003 -878.076 -74.525 90.436 1.00855.43 C ATOM 41995 N9 A B2003 -876.801 -74.393 91.138 1.00855.43 N ATOM 41996 C8 A B2003 -876.605 -74.023 92.445 1.00855.43 C ATOM 41997 N7 A B2003 -875.345 -73.963 92.796 1.00855.43 N ATOM 41998 C5 A B2003 -874.663 -74.325 91.644 1.00855.43 C ATOM 41999 C6 A B2003 -873.292 -74.452 91.356 1.00855.43 C ATOM 42000 N6 A B2003 -872.325 -74.218 92.244 1.00855.43 N ATOM 42001 N1 A B2003 -872.945 -74.834 90.106 1.00855.43 N ATOM 42002 C2 A B2003 -873.918 -75.066 89.217 1.00855.43 C ATOM 42003 N3 A B2003 -875.236 -74.978 89.364 1.00855.43 N ATOM 42004 C4 A B2003 -875.546 -74.598 90.617 1.00855.43 C ATOM 42005 P U B2004 -881.099 -77.212 92.760 1.00855.43 P ATOM 42006 O1P U B2004 -882.468 -77.436 93.291 1.00855.43 O ATOM 42007 O2P U B2004 -879.937 -77.264 93.681 1.00855.43 O ATOM 42008 O5* U B2004 -880.851 -78.263 91.589 1.00855.43 O ATOM 42009 C5* U B2004 -881.948 -78.894 90.937 1.00855.43 C ATOM 42010 C4* U B2004 -881.477 -80.104 90.172 1.00855.43 C ATOM 42011 O4* U B2004 -882.642 -80.783 89.629 1.00855.43 O ATOM 42012 C3* U B2004 -880.645 -79.828 88.943 1.00855.43 C ATOM 42013 O3* U B2004 -879.268 -79.633 89.282 1.00855.43 O ATOM 42014 C2* U B2004 -880.854 -81.073 88.090 1.00855.43 C ATOM 42015 O2* U B2004 -880.002 -82.138 88.457 1.00855.43 O ATOM 42016 C1* U B2004 -882.304 -81.432 88.416 1.00855.43 C ATOM 42017 N1 U B2004 -883.236 -80.959 87.382 1.00855.43 N ATOM 42018 C2 U B2004 -883.774 -81.890 86.518 1.00855.43 C ATOM 42019 O2 U B2004 -883.527 -83.079 86.582 1.00855.43 O ATOM 42020 N3 U B2004 -884.620 -81.368 85.563 1.00855.43 N ATOM 42021 C4 U B2004 -884.969 -80.043 85.396 1.00855.43 C ATOM 42022 O4 U B2004 -885.726 -79.727 84.477 1.00855.43 O ATOM 42023 C5 U B2004 -884.377 -79.151 86.339 1.00855.43 C ATOM 42024 C6 U B2004 -883.552 -79.628 87.277 1.00855.43 C ATOM 42025 P U B2005 -878.265 -79.042 88.174 1.00855.43 P ATOM 42026 O1P U B2005 -878.833 -77.734 87.759 1.00855.43 O ATOM 42027 O2P U B2005 -878.023 -80.096 87.156 1.00855.43 O ATOM 42028 O5* U B2005 -876.889 -78.742 88.931 1.00855.43 O ATOM 42029 C5* U B2005 -875.666 -78.671 88.188 1.00855.43 C ATOM 42030 C4* U B2005 -874.474 -79.023 89.058 1.00855.43 C ATOM 42031 O4* U B2005 -874.250 -77.958 90.006 1.00855.43 O ATOM 42032 C3* U B2005 -874.612 -80.315 89.880 1.00855.43 C ATOM 42033 O3* U B2005 -874.050 -81.441 89.199 1.00855.43 O ATOM 42034 C2* U B2005 -873.708 -80.025 91.082 1.00855.43 C ATOM 42035 O2* U B2005 -872.361 -80.382 90.844 1.00855.43 O ATOM 42036 C1* U B2005 -873.797 -78.505 91.222 1.00855.43 C ATOM 42037 N1 U B2005 -874.642 -77.985 92.303 1.00855.43 N ATOM 42038 C2 U B2005 -874.019 -77.339 93.353 1.00855.43 C ATOM 42039 O2 U B2005 -872.805 -77.233 93.442 1.00855.43 O ATOM 42040 N3 U B2005 -874.872 -76.821 94.293 1.00855.43 N ATOM 42041 C4 U B2005 -876.254 -76.893 94.288 1.00855.43 C ATOM 42042 O4 U B2005 -876.898 -76.300 95.148 1.00855.43 O ATOM 42043 C5 U B2005 -876.809 -77.605 93.188 1.00855.43 C ATOM 42044 C6 U B2005 -876.005 -78.115 92.258 1.00855.43 C ATOM 42045 P G B2006 -874.133 -82.912 89.846 1.00855.43 P ATOM 42046 O1P G B2006 -874.643 -83.838 88.805 1.00855.43 O ATOM 42047 O2P G B2006 -874.826 -82.825 91.158 1.00855.43 O ATOM 42048 O5* G B2006 -872.606 -83.291 90.106 1.00855.43 O ATOM 42049 C5* G B2006 -871.610 -82.981 89.136 1.00855.43 C ATOM 42050 C4* G B2006 -870.716 -84.176 88.900 1.00855.43 C ATOM 42051 O4* G B2006 -871.538 -85.349 88.673 1.00855.43 O ATOM 42052 C3* G B2006 -869.833 -84.067 87.666 1.00855.43 C ATOM 42053 O3* G B2006 -868.602 -83.393 87.902 1.00855.43 O ATOM 42054 C2* G B2006 -869.606 -85.526 87.292 1.00855.43 C ATOM 42055 O2* G B2006 -868.570 -86.124 88.045 1.00855.43 O ATOM 42056 C1* G B2006 -870.943 -86.161 87.675 1.00855.43 C ATOM 42057 N9 G B2006 -871.847 -86.256 86.533 1.00855.43 N ATOM 42058 C8 G B2006 -872.738 -85.312 86.082 1.00855.43 C ATOM 42059 N7 G B2006 -873.392 -85.697 85.018 1.00855.43 N ATOM 42060 C5 G B2006 -872.904 -86.971 84.757 1.00855.43 C ATOM 42061 C6 G B2006 -873.237 -87.896 83.727 1.00855.43 C ATOM 42062 O6 G B2006 -874.054 -87.769 82.807 1.00855.43 O ATOM 42063 N1 G B2006 -872.500 -89.071 83.843 1.00855.43 N ATOM 42064 C2 G B2006 -871.570 -89.328 84.817 1.00855.43 C ATOM 42065 N2 G B2006 -870.964 -90.522 84.764 1.00855.43 N ATOM 42066 N3 G B2006 -871.252 -88.476 85.777 1.00855.43 N ATOM 42067 C4 G B2006 -871.952 -87.329 85.686 1.00855.43 C ATOM 42068 P G B2007 -867.937 -82.518 86.727 1.00855.43 P ATOM 42069 O1P G B2007 -866.899 -81.661 87.364 1.00855.43 O ATOM 42070 O2P G B2007 -869.011 -81.892 85.924 1.00855.43 O ATOM 42071 O5* G B2007 -867.184 -83.588 85.817 1.00855.43 O ATOM 42072 C5* G B2007 -866.119 -84.355 86.352 1.00855.43 C ATOM 42073 C4* G B2007 -865.804 -85.544 85.474 1.00855.43 C ATOM 42074 O4* G B2007 -866.935 -86.450 85.447 1.00855.43 O ATOM 42075 C3* G B2007 -865.532 -85.245 84.013 1.00855.43 C ATOM 42076 O3* G B2007 -864.185 -84.827 83.810 1.00855.43 O ATOM 42077 C2* G B2007 -865.826 -86.580 83.343 1.00855.43 C ATOM 42078 O2* G B2007 -864.738 -87.478 83.412 1.00855.43 O ATOM 42079 C1* G B2007 -866.984 -87.105 84.195 1.00855.43 C ATOM 42080 N9 G B2007 -868.271 -86.803 83.584 1.00855.43 N ATOM 42081 C8 G B2007 -869.128 -85.783 83.916 1.00855.43 C ATOM 42082 N7 G B2007 -870.198 -85.748 83.170 1.00855.43 N ATOM 42083 C5 G B2007 -870.041 -86.814 82.296 1.00855.43 C ATOM 42084 C6 G B2007 -870.877 -87.280 81.251 1.00855.43 C ATOM 42085 O6 G B2007 -871.964 -86.824 80.874 1.00855.43 O ATOM 42086 N1 G B2007 -870.335 -88.395 80.619 1.00855.43 N ATOM 42087 C2 G B2007 -869.141 -88.985 80.949 1.00855.43 C ATOM 42088 N2 G B2007 -868.789 -90.056 80.224 1.00855.43 N ATOM 42089 N3 G B2007 -868.349 -88.559 81.918 1.00855.43 N ATOM 42090 C4 G B2007 -868.859 -87.479 82.544 1.00855.43 C ATOM 42091 P C B2008 -863.827 -83.908 82.540 1.00855.43 P ATOM 42092 O1P C B2008 -862.793 -82.930 82.961 1.00855.43 O ATOM 42093 O2P C B2008 -865.101 -83.421 81.956 1.00855.43 O ATOM 42094 O5* C B2008 -863.166 -84.920 81.500 1.00855.43 O ATOM 42095 C5* C B2008 -862.451 -86.071 81.942 1.00855.43 C ATOM 42096 C4* C B2008 -862.613 -87.194 80.947 1.00855.43 C ATOM 42097 O4* C B2008 -864.015 -87.561 80.893 1.00855.43 O ATOM 42098 C3* C B2008 -862.241 -86.822 79.529 1.00855.43 C ATOM 42099 O3* C B2008 -860.861 -87.098 79.306 1.00855.43 O ATOM 42100 C2* C B2008 -863.145 -87.708 78.680 1.00855.43 C ATOM 42101 O2* C B2008 -862.615 -89.006 78.499 1.00855.43 O ATOM 42102 C1* C B2008 -864.400 -87.791 79.553 1.00855.43 C ATOM 42103 N1 C B2008 -865.422 -86.791 79.204 1.00855.43 N ATOM 42104 C2 C B2008 -866.177 -86.968 78.043 1.00855.43 C ATOM 42105 O2 C B2008 -865.966 -87.963 77.332 1.00855.43 O ATOM 42106 N3 C B2008 -867.123 -86.051 77.724 1.00855.43 N ATOM 42107 C4 C B2008 -867.316 -84.995 78.514 1.00855.43 C ATOM 42108 N4 C B2008 -868.256 -84.115 78.160 1.00855.43 N ATOM 42109 C5 C B2008 -866.557 -84.788 79.701 1.00855.43 C ATOM 42110 C6 C B2008 -865.628 -85.703 80.003 1.00855.43 C ATOM 42111 P U B2009 -859.848 -85.888 78.991 1.00855.43 P ATOM 42112 O1P U B2009 -858.552 -86.210 79.641 1.00855.43 O ATOM 42113 O2P U B2009 -860.539 -84.618 79.319 1.00855.43 O ATOM 42114 O5* U B2009 -859.647 -85.936 77.411 1.00855.43 O ATOM 42115 C5* U B2009 -859.461 -87.174 76.731 1.00855.43 C ATOM 42116 C4* U B2009 -860.357 -87.239 75.515 1.00855.43 C ATOM 42117 O4* U B2009 -861.737 -87.341 75.970 1.00855.43 O ATOM 42118 C3* U B2009 -860.338 -85.960 74.725 1.00855.43 C ATOM 42119 O3* U B2009 -859.274 -85.913 73.782 1.00855.43 O ATOM 42120 C2* U B2009 -861.698 -85.956 74.045 1.00855.43 C ATOM 42121 O2* U B2009 -861.721 -86.763 72.882 1.00855.43 O ATOM 42122 C1* U B2009 -862.580 -86.575 75.128 1.00855.43 C ATOM 42123 N1 U B2009 -863.191 -85.516 75.943 1.00855.43 N ATOM 42124 C2 U B2009 -864.515 -85.186 75.708 1.00855.43 C ATOM 42125 O2 U B2009 -865.216 -85.763 74.894 1.00855.43 O ATOM 42126 N3 U B2009 -864.993 -84.148 76.465 1.00855.43 N ATOM 42127 C4 U B2009 -864.303 -83.423 77.412 1.00855.43 C ATOM 42128 O4 U B2009 -864.852 -82.467 77.960 1.00855.43 O ATOM 42129 C5 U B2009 -862.954 -83.842 77.617 1.00855.43 C ATOM 42130 C6 U B2009 -862.458 -84.849 76.894 1.00855.43 C ATOM 42131 P G B2010 -858.648 -84.487 73.367 1.00855.43 P ATOM 42132 O1P G B2010 -857.530 -84.746 72.426 1.00855.43 O ATOM 42133 O2P G B2010 -858.399 -83.716 74.611 1.00855.43 O ATOM 42134 O5* G B2010 -859.821 -83.766 72.562 1.00855.43 O ATOM 42135 C5* G B2010 -860.312 -84.322 71.343 1.00855.43 C ATOM 42136 C4* G B2010 -861.648 -83.713 70.972 1.00855.43 C ATOM 42137 O4* G B2010 -862.578 -83.839 72.077 1.00855.43 O ATOM 42138 C3* G B2010 -861.737 -82.219 70.632 1.00855.43 C ATOM 42139 O3* G B2010 -861.311 -81.904 69.310 1.00855.43 O ATOM 42140 C2* G B2010 -863.224 -81.926 70.805 1.00855.43 C ATOM 42141 O2* G B2010 -863.973 -82.241 69.652 1.00855.43 O ATOM 42142 C1* G B2010 -863.614 -82.884 71.933 1.00855.43 C ATOM 42143 N9 G B2010 -863.824 -82.203 73.208 1.00855.43 N ATOM 42144 C8 G B2010 -863.025 -82.223 74.321 1.00855.43 C ATOM 42145 N7 G B2010 -863.497 -81.501 75.305 1.00855.43 N ATOM 42146 C5 G B2010 -864.682 -80.979 74.807 1.00855.43 C ATOM 42147 C6 G B2010 -865.641 -80.121 75.411 1.00855.43 C ATOM 42148 O6 G B2010 -865.638 -79.634 76.547 1.00855.43 O ATOM 42149 N1 G B2010 -866.692 -79.838 74.543 1.00855.43 N ATOM 42150 C2 G B2010 -866.809 -80.314 73.260 1.00855.43 C ATOM 42151 N2 G B2010 -867.888 -79.926 72.572 1.00855.43 N ATOM 42152 N3 G B2010 -865.927 -81.117 72.690 1.00855.43 N ATOM 42153 C4 G B2010 -864.899 -81.406 73.516 1.00855.43 C ATOM 42154 P U B2011 -860.897 -80.391 68.939 1.00855.43 P ATOM 42155 O1P U B2011 -860.546 -80.376 67.497 1.00855.43 O ATOM 42156 O2P U B2011 -859.911 -79.921 69.939 1.00855.43 O ATOM 42157 O5* U B2011 -862.237 -79.549 69.131 1.00855.43 O ATOM 42158 C5* U B2011 -863.279 -79.583 68.152 1.00855.43 C ATOM 42159 C4* U B2011 -864.460 -78.762 68.622 1.00855.43 C ATOM 42160 O4* U B2011 -864.871 -79.262 69.919 1.00855.43 O ATOM 42161 C3* U B2011 -864.192 -77.284 68.855 1.00855.43 C ATOM 42162 O3* U B2011 -864.357 -76.530 67.657 1.00855.43 O ATOM 42163 C2* U B2011 -865.235 -76.910 69.901 1.00855.43 C ATOM 42164 O2* U B2011 -866.501 -76.641 69.334 1.00855.43 O ATOM 42165 C1* U B2011 -865.310 -78.191 70.736 1.00855.43 C ATOM 42166 N1 U B2011 -864.443 -78.149 71.920 1.00855.43 N ATOM 42167 C2 U B2011 -864.959 -77.613 73.085 1.00855.43 C ATOM 42168 O2 U B2011 -866.091 -77.174 73.167 1.00855.43 O ATOM 42169 N3 U B2011 -864.092 -77.604 74.150 1.00855.43 N ATOM 42170 C4 U B2011 -862.792 -78.072 74.168 1.00855.43 C ATOM 42171 O4 U B2011 -862.138 -78.004 75.209 1.00855.43 O ATOM 42172 C5 U B2011 -862.336 -78.611 72.925 1.00855.43 C ATOM 42173 C6 U B2011 -863.159 -78.630 71.870 1.00855.43 C ATOM 42174 P A B2012 -863.504 -75.179 67.440 1.00855.43 P ATOM 42175 O1P A B2012 -863.795 -74.692 66.066 1.00855.43 O ATOM 42176 O2P A B2012 -862.101 -75.451 67.841 1.00855.43 O ATOM 42177 O5* A B2012 -864.129 -74.139 68.475 1.00855.43 O ATOM 42178 C5* A B2012 -865.384 -73.509 68.221 1.00855.43 C ATOM 42179 C4* A B2012 -865.816 -72.698 69.424 1.00855.43 C ATOM 42180 O4* A B2012 -865.959 -73.581 70.562 1.00855.43 O ATOM 42181 C3* A B2012 -864.880 -71.599 69.913 1.00855.43 C ATOM 42182 O3* A B2012 -865.095 -70.379 69.200 1.00855.43 O ATOM 42183 C2* A B2012 -865.271 -71.447 71.382 1.00855.43 C ATOM 42184 O2* A B2012 -866.379 -70.590 71.562 1.00855.43 O ATOM 42185 C1* A B2012 -865.677 -72.876 71.755 1.00855.43 C ATOM 42186 N9 A B2012 -864.656 -73.619 72.495 1.00855.43 N ATOM 42187 C8 A B2012 -863.766 -74.542 72.008 1.00855.43 C ATOM 42188 N7 A B2012 -862.988 -75.065 72.927 1.00855.43 N ATOM 42189 C5 A B2012 -863.389 -74.435 74.097 1.00855.43 C ATOM 42190 C6 A B2012 -862.954 -74.550 75.431 1.00855.43 C ATOM 42191 N6 A B2012 -861.983 -75.376 75.825 1.00855.43 N ATOM 42192 N1 A B2012 -863.558 -73.777 76.357 1.00855.43 N ATOM 42193 C2 A B2012 -864.536 -72.951 75.962 1.00855.43 C ATOM 42194 N3 A B2012 -865.036 -72.756 74.743 1.00855.43 N ATOM 42195 C4 A B2012 -864.412 -73.537 73.847 1.00855.43 C ATOM 42196 P A B2013 -863.858 -69.617 68.511 1.00855.43 P ATOM 42197 O1P A B2013 -864.433 -68.625 67.565 1.00855.43 O ATOM 42198 O2P A B2013 -862.902 -70.636 68.010 1.00855.43 O ATOM 42199 O5* A B2013 -863.159 -68.813 69.698 1.00855.43 O ATOM 42200 C5* A B2013 -861.747 -68.627 69.710 1.00855.43 C ATOM 42201 C4* A B2013 -861.362 -67.504 70.649 1.00855.43 C ATOM 42202 O4* A B2013 -861.879 -66.237 70.181 1.00855.43 O ATOM 42203 C3* A B2013 -861.804 -67.590 72.098 1.00855.43 C ATOM 42204 O3* A B2013 -860.910 -68.416 72.822 1.00855.43 O ATOM 42205 C2* A B2013 -861.731 -66.140 72.565 1.00855.43 C ATOM 42206 O2* A B2013 -860.431 -65.776 72.988 1.00855.43 O ATOM 42207 C1* A B2013 -862.081 -65.375 71.287 1.00855.43 C ATOM 42208 N9 A B2013 -863.455 -64.882 71.241 1.00855.43 N ATOM 42209 C8 A B2013 -864.536 -65.427 70.593 1.00855.43 C ATOM 42210 N7 A B2013 -865.634 -64.726 70.721 1.00855.43 N ATOM 42211 C5 A B2013 -865.257 -63.648 71.510 1.00855.43 C ATOM 42212 C6 A B2013 -865.961 -62.536 71.994 1.00855.43 C ATOM 42213 N6 A B2013 -867.250 -62.309 71.734 1.00855.43 N ATOM 42214 N1 A B2013 -865.289 -61.649 72.758 1.00855.43 N ATOM 42215 C2 A B2013 -863.995 -61.872 73.006 1.00855.43 C ATOM 42216 N3 A B2013 -863.218 -62.872 72.599 1.00855.43 N ATOM 42217 C4 A B2013 -863.917 -63.737 71.847 1.00855.43 C ATOM 42218 P A B2014 -861.434 -69.230 74.097 1.00855.43 P ATOM 42219 O1P A B2014 -862.831 -69.644 73.809 1.00855.43 O ATOM 42220 O2P A B2014 -861.138 -68.441 75.320 1.00855.43 O ATOM 42221 O5* A B2014 -860.527 -70.537 74.101 1.00855.43 O ATOM 42222 C5* A B2014 -861.053 -71.776 74.548 1.00855.43 C ATOM 42223 C4* A B2014 -860.233 -72.922 74.015 1.00855.43 C ATOM 42224 O4* A B2014 -860.272 -72.926 72.563 1.00855.43 O ATOM 42225 C3* A B2014 -858.756 -72.923 74.348 1.00855.43 C ATOM 42226 O3* A B2014 -858.512 -73.451 75.638 1.00855.43 O ATOM 42227 C2* A B2014 -858.167 -73.802 73.252 1.00855.43 C ATOM 42228 O2* A B2014 -858.295 -75.179 73.541 1.00855.43 O ATOM 42229 C1* A B2014 -859.053 -73.449 72.058 1.00855.43 C ATOM 42230 N9 A B2014 -858.427 -72.446 71.200 1.00855.43 N ATOM 42231 C8 A B2014 -858.039 -71.168 71.519 1.00855.43 C ATOM 42232 N7 A B2014 -857.477 -70.523 70.525 1.00855.43 N ATOM 42233 C5 A B2014 -857.499 -71.438 69.481 1.00855.43 C ATOM 42234 C6 A B2014 -857.049 -71.367 68.151 1.00855.43 C ATOM 42235 N6 A B2014 -856.464 -70.294 67.622 1.00855.43 N ATOM 42236 N1 A B2014 -857.223 -72.456 67.373 1.00855.43 N ATOM 42237 C2 A B2014 -857.810 -73.536 67.903 1.00855.43 C ATOM 42238 N3 A B2014 -858.275 -73.721 69.135 1.00855.43 N ATOM 42239 C4 A B2014 -858.086 -72.622 69.881 1.00855.43 C ATOM 42240 P G B2015 -857.024 -73.425 76.235 1.00855.43 P ATOM 42241 O1P G B2015 -856.488 -72.050 76.059 1.00855.43 O ATOM 42242 O2P G B2015 -856.288 -74.579 75.668 1.00855.43 O ATOM 42243 O5* G B2015 -857.241 -73.677 77.791 1.00855.43 O ATOM 42244 C5* G B2015 -857.597 -74.968 78.280 1.00855.43 C ATOM 42245 C4* G B2015 -858.594 -74.828 79.403 1.00855.43 C ATOM 42246 O4* G B2015 -857.995 -74.026 80.450 1.00855.43 O ATOM 42247 C3* G B2015 -859.882 -74.106 79.054 1.00855.43 C ATOM 42248 O3* G B2015 -860.856 -74.869 78.337 1.00855.43 O ATOM 42249 C2* G B2015 -860.321 -73.493 80.379 1.00855.43 C ATOM 42250 O2* G B2015 -861.084 -74.347 81.208 1.00855.43 O ATOM 42251 C1* G B2015 -858.972 -73.188 81.041 1.00855.43 C ATOM 42252 N9 G B2015 -858.513 -71.812 80.875 1.00855.43 N ATOM 42253 C8 G B2015 -859.303 -70.686 80.872 1.00855.43 C ATOM 42254 N7 G B2015 -858.627 -69.586 80.714 1.00855.43 N ATOM 42255 C5 G B2015 -857.308 -70.003 80.599 1.00855.43 C ATOM 42256 C6 G B2015 -856.119 -69.252 80.412 1.00855.43 C ATOM 42257 O6 G B2015 -855.992 -68.028 80.305 1.00855.43 O ATOM 42258 N1 G B2015 -855.003 -70.073 80.351 1.00855.43 N ATOM 42259 C2 G B2015 -855.020 -71.443 80.458 1.00855.43 C ATOM 42260 N2 G B2015 -853.832 -72.057 80.376 1.00855.43 N ATOM 42261 N3 G B2015 -856.121 -72.155 80.634 1.00855.43 N ATOM 42262 C4 G B2015 -857.222 -71.377 80.695 1.00855.43 C ATOM 42263 P A B2016 -861.342 -76.303 78.894 1.00855.43 P ATOM 42264 O1P A B2016 -860.666 -76.601 80.178 1.00855.43 O ATOM 42265 O2P A B2016 -861.220 -77.267 77.769 1.00855.43 O ATOM 42266 O5* A B2016 -862.897 -76.101 79.187 1.00855.43 O ATOM 42267 C5* A B2016 -863.379 -75.988 80.523 1.00855.43 C ATOM 42268 C4* A B2016 -864.869 -76.244 80.569 1.00855.43 C ATOM 42269 O4* A B2016 -865.525 -75.385 79.609 1.00855.43 O ATOM 42270 C3* A B2016 -865.364 -77.659 80.267 1.00855.43 C ATOM 42271 O3* A B2016 -865.373 -78.461 81.448 1.00855.43 O ATOM 42272 C2* A B2016 -866.794 -77.410 79.783 1.00855.43 C ATOM 42273 O2* A B2016 -867.723 -77.345 80.842 1.00855.43 O ATOM 42274 C1* A B2016 -866.688 -76.027 79.135 1.00855.43 C ATOM 42275 N9 A B2016 -866.699 -75.970 77.673 1.00855.43 N ATOM 42276 C8 A B2016 -865.672 -76.211 76.796 1.00855.43 C ATOM 42277 N7 A B2016 -865.995 -76.030 75.537 1.00855.43 N ATOM 42278 C5 A B2016 -867.331 -75.653 75.587 1.00855.43 C ATOM 42279 C6 A B2016 -868.258 -75.309 74.590 1.00855.43 C ATOM 42280 N6 A B2016 -867.970 -75.279 73.288 1.00855.43 N ATOM 42281 N1 A B2016 -869.509 -74.985 74.982 1.00855.43 N ATOM 42282 C2 A B2016 -869.800 -75.010 76.289 1.00855.43 C ATOM 42283 N3 A B2016 -869.016 -75.309 77.318 1.00855.43 N ATOM 42284 C4 A B2016 -867.782 -75.627 76.898 1.00855.43 C ATOM 42285 P U B2017 -865.884 -79.987 81.392 1.00855.43 P ATOM 42286 O1P U B2017 -865.255 -80.685 82.542 1.00855.43 O ATOM 42287 O2P U B2017 -865.682 -80.507 80.017 1.00855.43 O ATOM 42288 O5* U B2017 -867.450 -79.895 81.675 1.00855.43 O ATOM 42289 C5* U B2017 -868.187 -81.049 82.065 1.00855.43 C ATOM 42290 C4* U B2017 -869.293 -80.674 83.025 1.00855.43 C ATOM 42291 O4* U B2017 -868.734 -80.005 84.182 1.00855.43 O ATOM 42292 C3* U B2017 -870.361 -79.722 82.498 1.00855.43 C ATOM 42293 O3* U B2017 -871.384 -80.426 81.798 1.00855.43 O ATOM 42294 C2* U B2017 -870.896 -79.078 83.773 1.00855.43 C ATOM 42295 O2* U B2017 -871.888 -79.860 84.402 1.00855.43 O ATOM 42296 C1* U B2017 -869.647 -79.033 84.659 1.00855.43 C ATOM 42297 N1 U B2017 -868.963 -77.732 84.679 1.00855.43 N ATOM 42298 C2 U B2017 -869.451 -76.756 85.533 1.00855.43 C ATOM 42299 O2 U B2017 -870.420 -76.932 86.250 1.00855.43 O ATOM 42300 N3 U B2017 -868.757 -75.572 85.511 1.00855.43 N ATOM 42301 C4 U B2017 -867.651 -75.268 84.743 1.00855.43 C ATOM 42302 O4 U B2017 -867.131 -74.157 84.849 1.00855.43 O ATOM 42303 C5 U B2017 -867.215 -76.324 83.883 1.00855.43 C ATOM 42304 C6 U B2017 -867.868 -77.489 83.881 1.00855.43 C ATOM 42305 P G B2018 -872.354 -79.631 80.797 1.00855.43 P ATOM 42306 O1P G B2018 -872.799 -80.595 79.756 1.00855.43 O ATOM 42307 O2P G B2018 -871.680 -78.374 80.392 1.00855.43 O ATOM 42308 O5* G B2018 -873.613 -79.258 81.697 1.00855.43 O ATOM 42309 C5* G B2018 -874.894 -79.822 81.436 1.00855.43 C ATOM 42310 C4* G B2018 -875.785 -78.791 80.785 1.00855.43 C ATOM 42311 O4* G B2018 -876.133 -77.776 81.759 1.00855.43 O ATOM 42312 C3* G B2018 -875.113 -78.061 79.650 1.00855.43 C ATOM 42313 O3* G B2018 -875.120 -78.789 78.415 1.00855.43 O ATOM 42314 C2* G B2018 -875.715 -76.657 79.687 1.00855.43 C ATOM 42315 O2* G B2018 -876.897 -76.475 78.937 1.00855.43 O ATOM 42316 C1* G B2018 -876.023 -76.488 81.181 1.00855.43 C ATOM 42317 N9 G B2018 -875.007 -75.751 81.928 1.00855.43 N ATOM 42318 C8 G B2018 -874.458 -74.533 81.603 1.00855.43 C ATOM 42319 N7 G B2018 -873.552 -74.137 82.459 1.00855.43 N ATOM 42320 C5 G B2018 -873.506 -75.151 83.403 1.00855.43 C ATOM 42321 C6 G B2018 -872.705 -75.282 84.573 1.00855.43 C ATOM 42322 O6 G B2018 -871.853 -74.502 85.015 1.00855.43 O ATOM 42323 N1 G B2018 -872.979 -76.469 85.248 1.00855.43 N ATOM 42324 C2 G B2018 -873.900 -77.407 84.853 1.00855.43 C ATOM 42325 N2 G B2018 -874.018 -78.485 85.640 1.00855.43 N ATOM 42326 N3 G B2018 -874.648 -77.297 83.769 1.00855.43 N ATOM 42327 C4 G B2018 -874.399 -76.152 83.095 1.00855.43 C ATOM 42328 P C B2019 -876.489 -79.008 77.592 1.00855.43 P ATOM 42329 O1P C B2019 -877.640 -78.693 78.478 1.00855.43 O ATOM 42330 O2P C B2019 -876.397 -80.353 76.972 1.00855.43 O ATOM 42331 O5* C B2019 -876.420 -77.936 76.415 1.00855.43 O ATOM 42332 C5* C B2019 -875.242 -77.169 76.218 1.00855.43 C ATOM 42333 C4* C B2019 -874.609 -77.489 74.883 1.00855.43 C ATOM 42334 O4* C B2019 -873.316 -76.826 74.865 1.00855.43 O ATOM 42335 C3* C B2019 -874.262 -78.939 74.638 1.00855.43 C ATOM 42336 O3* C B2019 -875.365 -79.658 74.093 1.00855.43 O ATOM 42337 C2* C B2019 -873.119 -78.840 73.640 1.00855.43 C ATOM 42338 O2* C B2019 -873.567 -78.605 72.319 1.00855.43 O ATOM 42339 C1* C B2019 -872.376 -77.612 74.161 1.00855.43 C ATOM 42340 N1 C B2019 -871.321 -77.991 75.113 1.00855.43 N ATOM 42341 C2 C B2019 -870.047 -78.294 74.632 1.00855.43 C ATOM 42342 O2 C B2019 -869.836 -78.224 73.415 1.00855.43 O ATOM 42343 N3 C B2019 -869.081 -78.653 75.507 1.00855.43 N ATOM 42344 C4 C B2019 -869.351 -78.716 76.813 1.00855.43 C ATOM 42345 N4 C B2019 -868.367 -79.076 77.638 1.00855.43 N ATOM 42346 C5 C B2019 -870.641 -78.412 77.331 1.00855.43 C ATOM 42347 C6 C B2019 -871.588 -78.057 76.453 1.00855.43 C ATOM 42348 P G B2020 -875.435 -81.261 74.254 1.00855.43 P ATOM 42349 O1P G B2020 -876.852 -81.656 74.035 1.00855.43 O ATOM 42350 O2P G B2020 -874.754 -81.655 75.509 1.00855.43 O ATOM 42351 O5* G B2020 -874.583 -81.827 73.031 1.00855.43 O ATOM 42352 C5* G B2020 -874.767 -81.311 71.715 1.00855.43 C ATOM 42353 C4* G B2020 -873.555 -81.604 70.858 1.00855.43 C ATOM 42354 O4* G B2020 -872.377 -80.946 71.388 1.00855.43 O ATOM 42355 C3* G B2020 -873.185 -83.084 70.742 1.00855.43 C ATOM 42356 O3* G B2020 -873.935 -83.732 69.723 1.00855.43 O ATOM 42357 C2* G B2020 -871.697 -83.015 70.406 1.00855.43 C ATOM 42358 O2* G B2020 -871.461 -82.825 69.025 1.00855.43 O ATOM 42359 C1* G B2020 -871.245 -81.769 71.174 1.00855.43 C ATOM 42360 N9 G B2020 -870.596 -82.036 72.453 1.00855.43 N ATOM 42361 C8 G B2020 -871.051 -81.711 73.710 1.00855.43 C ATOM 42362 N7 G B2020 -870.230 -82.075 74.662 1.00855.43 N ATOM 42363 C5 G B2020 -869.173 -82.675 73.992 1.00855.43 C ATOM 42364 C6 G B2020 -867.975 -83.268 74.491 1.00855.43 C ATOM 42365 O6 G B2020 -867.594 -83.384 75.665 1.00855.43 O ATOM 42366 N1 G B2020 -867.182 -83.763 73.462 1.00855.43 N ATOM 42367 C2 G B2020 -867.490 -83.700 72.129 1.00855.43 C ATOM 42368 N2 G B2020 -866.595 -84.240 71.293 1.00855.43 N ATOM 42369 N3 G B2020 -868.596 -83.154 71.650 1.00855.43 N ATOM 42370 C4 G B2020 -869.386 -82.666 72.630 1.00855.43 C ATOM 42371 P G B2021 -875.046 -84.822 70.122 1.00855.43 P ATOM 42372 O1P G B2021 -875.841 -85.110 68.901 1.00855.43 O ATOM 42373 O2P G B2021 -875.733 -84.356 71.353 1.00855.43 O ATOM 42374 O5* G B2021 -874.190 -86.118 70.480 1.00855.43 O ATOM 42375 C5* G B2021 -873.843 -87.059 69.468 1.00855.43 C ATOM 42376 C4* G B2021 -872.714 -87.950 69.936 1.00855.43 C ATOM 42377 O4* G B2021 -871.576 -87.144 70.336 1.00855.43 O ATOM 42378 C3* G B2021 -873.020 -88.828 71.142 1.00855.43 C ATOM 42379 O3* G B2021 -873.645 -90.037 70.755 1.00855.43 O ATOM 42380 C2* G B2021 -871.642 -89.069 71.744 1.00855.43 C ATOM 42381 O2* G B2021 -870.955 -90.135 71.117 1.00855.43 O ATOM 42382 C1* G B2021 -870.940 -87.743 71.455 1.00855.43 C ATOM 42383 N9 G B2021 -871.038 -86.828 72.591 1.00855.43 N ATOM 42384 C8 G B2021 -871.773 -85.670 72.670 1.00855.43 C ATOM 42385 N7 G B2021 -871.668 -85.079 73.831 1.00855.43 N ATOM 42386 C5 G B2021 -870.812 -85.894 74.555 1.00855.43 C ATOM 42387 C6 G B2021 -870.326 -85.768 75.883 1.00855.43 C ATOM 42388 O6 G B2021 -870.565 -84.881 76.710 1.00855.43 O ATOM 42389 N1 G B2021 -869.479 -86.820 76.218 1.00855.43 N ATOM 42390 C2 G B2021 -869.145 -87.860 75.386 1.00855.43 C ATOM 42391 N2 G B2021 -868.311 -88.780 75.894 1.00855.43 N ATOM 42392 N3 G B2021 -869.589 -87.989 74.149 1.00855.43 N ATOM 42393 C4 G B2021 -870.413 -86.978 73.804 1.00855.43 C ATOM 42394 P C B2022 -874.523 -90.828 71.833 1.00855.43 P ATOM 42395 O1P C B2022 -875.200 -91.980 71.183 1.00855.43 O ATOM 42396 O2P C B2022 -875.327 -89.761 72.466 1.00855.43 O ATOM 42397 O5* C B2022 -873.456 -91.367 72.885 1.00855.43 O ATOM 42398 C5* C B2022 -872.527 -92.382 72.519 1.00855.43 C ATOM 42399 C4* C B2022 -871.535 -92.629 73.632 1.00855.43 C ATOM 42400 O4* C B2022 -870.903 -91.379 74.011 1.00855.43 O ATOM 42401 C3* C B2022 -872.089 -93.166 74.936 1.00855.43 C ATOM 42402 O3* C B2022 -872.251 -94.581 74.887 1.00855.43 O ATOM 42403 C2* C B2022 -871.027 -92.757 75.948 1.00855.43 C ATOM 42404 O2* C B2022 -869.931 -93.652 75.978 1.00855.43 O ATOM 42405 C1* C B2022 -870.573 -91.408 75.390 1.00855.43 C ATOM 42406 N1 C B2022 -871.261 -90.291 76.053 1.00855.43 N ATOM 42407 C2 C B2022 -870.919 -89.975 77.371 1.00855.43 C ATOM 42408 O2 C B2022 -870.026 -90.628 77.930 1.00855.43 O ATOM 42409 N3 C B2022 -871.568 -88.968 77.999 1.00855.43 N ATOM 42410 C4 C B2022 -872.521 -88.286 77.358 1.00855.43 C ATOM 42411 N4 C B2022 -873.143 -87.309 78.018 1.00855.43 N ATOM 42412 C5 C B2022 -872.882 -88.582 76.010 1.00855.43 C ATOM 42413 C6 C B2022 -872.231 -89.581 75.402 1.00855.43 C ATOM 42414 P C B2023 -873.196 -95.306 75.964 1.00855.43 P ATOM 42415 O1P C B2023 -873.193 -96.756 75.657 1.00855.43 O ATOM 42416 O2P C B2023 -874.487 -94.569 76.023 1.00855.43 O ATOM 42417 O5* C B2023 -872.442 -95.087 77.348 1.00855.43 O ATOM 42418 C5* C B2023 -871.323 -95.891 77.698 1.00855.43 C ATOM 42419 C4* C B2023 -870.806 -95.503 79.062 1.00855.43 C ATOM 42420 O4* C B2023 -870.454 -94.095 79.061 1.00855.43 O ATOM 42421 C3* C B2023 -871.756 -95.647 80.241 1.00855.43 C ATOM 42422 O3* C B2023 -871.802 -96.978 80.747 1.00855.43 O ATOM 42423 C2* C B2023 -871.165 -94.681 81.260 1.00855.43 C ATOM 42424 O2* C B2023 -870.086 -95.243 81.963 1.00855.43 O ATOM 42425 C1* C B2023 -870.640 -93.561 80.360 1.00855.43 C ATOM 42426 N1 C B2023 -871.581 -92.435 80.279 1.00855.43 N ATOM 42427 C2 C B2023 -871.501 -91.431 81.243 1.00855.43 C ATOM 42428 O2 C B2023 -870.631 -91.523 82.125 1.00855.43 O ATOM 42429 N3 C B2023 -872.366 -90.393 81.194 1.00855.43 N ATOM 42430 C4 C B2023 -873.282 -90.336 80.231 1.00855.43 C ATOM 42431 N4 C B2023 -874.115 -89.294 80.225 1.00855.43 N ATOM 42432 C5 C B2023 -873.385 -91.343 79.228 1.00855.43 C ATOM 42433 C6 C B2023 -872.519 -92.366 79.288 1.00855.43 C ATOM 42434 P U B2024 -873.022 -97.427 81.695 1.00855.43 P ATOM 42435 O1P U B2024 -872.756 -98.819 82.132 1.00855.43 O ATOM 42436 O2P U B2024 -874.298 -97.106 81.003 1.00855.43 O ATOM 42437 O5* U B2024 -872.900 -96.479 82.968 1.00855.43 O ATOM 42438 C5* U B2024 -871.852 -96.670 83.910 1.00855.43 C ATOM 42439 C4* U B2024 -871.852 -95.561 84.933 1.00855.43 C ATOM 42440 O4* U B2024 -871.748 -94.286 84.254 1.00855.43 O ATOM 42441 C3* U B2024 -873.108 -95.436 85.768 1.00855.43 C ATOM 42442 O3* U B2024 -873.077 -96.337 86.866 1.00855.43 O ATOM 42443 C2* U B2024 -873.072 -93.980 86.206 1.00855.43 C ATOM 42444 O2* U B2024 -872.232 -93.765 87.325 1.00855.43 O ATOM 42445 C1* U B2024 -872.473 -93.301 84.973 1.00855.43 C ATOM 42446 N1 U B2024 -873.514 -92.780 84.082 1.00855.43 N ATOM 42447 C2 U B2024 -874.185 -91.639 84.464 1.00855.43 C ATOM 42448 O2 U B2024 -873.934 -91.042 85.499 1.00855.43 O ATOM 42449 N3 U B2024 -875.163 -91.222 83.594 1.00855.43 N ATOM 42450 C4 U B2024 -875.525 -91.820 82.405 1.00855.43 C ATOM 42451 O4 U B2024 -876.451 -91.343 81.741 1.00855.43 O ATOM 42452 C5 U B2024 -874.776 -92.992 82.076 1.00855.43 C ATOM 42453 C6 U B2024 -873.818 -93.419 82.903 1.00855.43 C ATOM 42454 P A B2025 -874.456 -96.817 87.534 1.00855.43 P ATOM 42455 O1P A B2025 -874.213 -98.137 88.166 1.00855.43 O ATOM 42456 O2P A B2025 -875.531 -96.675 86.519 1.00855.43 O ATOM 42457 O5* A B2025 -874.705 -95.745 88.684 1.00855.43 O ATOM 42458 C5* A B2025 -873.782 -95.602 89.758 1.00855.43 C ATOM 42459 C4* A B2025 -874.224 -94.498 90.688 1.00855.43 C ATOM 42460 O4* A B2025 -874.277 -93.242 89.963 1.00855.43 O ATOM 42461 C3* A B2025 -875.604 -94.659 91.276 1.00855.43 C ATOM 42462 O3* A B2025 -875.514 -95.471 92.441 1.00855.43 O ATOM 42463 C2* A B2025 -876.015 -93.227 91.589 1.00855.43 C ATOM 42464 O2* A B2025 -875.506 -92.772 92.826 1.00855.43 O ATOM 42465 C1* A B2025 -875.356 -92.460 90.441 1.00855.43 C ATOM 42466 N9 A B2025 -876.284 -92.236 89.333 1.00855.43 N ATOM 42467 C8 A B2025 -876.544 -93.065 88.270 1.00855.43 C ATOM 42468 N7 A B2025 -877.450 -92.604 87.447 1.00855.43 N ATOM 42469 C5 A B2025 -877.812 -91.384 88.002 1.00855.43 C ATOM 42470 C6 A B2025 -878.738 -90.403 87.609 1.00855.43 C ATOM 42471 N6 A B2025 -879.500 -90.496 86.518 1.00855.43 N ATOM 42472 N1 A B2025 -878.859 -89.305 88.388 1.00855.43 N ATOM 42473 C2 A B2025 -878.098 -89.215 89.487 1.00855.43 C ATOM 42474 N3 A B2025 -877.192 -90.066 89.957 1.00855.43 N ATOM 42475 C4 A B2025 -877.099 -91.144 89.164 1.00855.43 C ATOM 42476 P C B2026 -876.717 -96.470 92.798 1.00855.43 P ATOM 42477 O1P C B2026 -876.245 -97.414 93.842 1.00855.43 O ATOM 42478 O2P C B2026 -877.245 -96.999 91.515 1.00855.43 O ATOM 42479 O5* C B2026 -877.842 -95.528 93.424 1.00855.43 O ATOM 42480 C5* C B2026 -878.996 -95.186 92.661 1.00855.43 C ATOM 42481 C4* C B2026 -880.070 -94.609 93.553 1.00855.43 C ATOM 42482 O4* C B2026 -880.415 -95.573 94.581 1.00855.43 O ATOM 42483 C3* C B2026 -879.719 -93.376 94.357 1.00855.43 C ATOM 42484 O3* C B2026 -879.849 -92.204 93.559 1.00855.43 O ATOM 42485 C2* C B2026 -880.731 -93.394 95.497 1.00855.43 C ATOM 42486 O2* C B2026 -881.964 -92.805 95.132 1.00855.43 O ATOM 42487 C1* C B2026 -880.933 -94.895 95.712 1.00855.43 C ATOM 42488 N1 C B2026 -880.246 -95.387 96.919 1.00855.43 N ATOM 42489 C2 C B2026 -881.015 -95.817 98.004 1.00855.43 C ATOM 42490 O2 C B2026 -882.252 -95.785 97.915 1.00855.43 O ATOM 42491 N3 C B2026 -880.395 -96.252 99.124 1.00855.43 N ATOM 42492 C4 C B2026 -879.061 -96.271 99.184 1.00855.43 C ATOM 42493 N4 C B2026 -878.493 -96.702 100.311 1.00855.43 N ATOM 42494 C5 C B2026 -878.253 -95.846 98.091 1.00855.43 C ATOM 42495 C6 C B2026 -878.879 -95.418 96.988 1.00855.43 C ATOM 42496 P C B2027 -878.783 -91.013 93.716 1.00855.43 P ATOM 42497 O1P C B2027 -878.664 -90.347 92.394 1.00855.43 O ATOM 42498 O2P C B2027 -877.569 -91.549 94.378 1.00855.43 O ATOM 42499 O5* C B2027 -879.490 -89.994 94.718 1.00855.43 O ATOM 42500 C5* C B2027 -880.457 -89.059 94.247 1.00855.43 C ATOM 42501 C4* C B2027 -881.324 -88.595 95.391 1.00855.43 C ATOM 42502 O4* C B2027 -881.907 -89.744 96.059 1.00855.43 O ATOM 42503 C3* C B2027 -880.647 -87.829 96.510 1.00855.43 C ATOM 42504 O3* C B2027 -880.475 -86.455 96.190 1.00855.43 O ATOM 42505 C2* C B2027 -881.603 -88.027 97.675 1.00855.43 C ATOM 42506 O2* C B2027 -882.688 -87.126 97.625 1.00855.43 O ATOM 42507 C1* C B2027 -882.098 -89.453 97.431 1.00855.43 C ATOM 42508 N1 C B2027 -881.331 -90.438 98.206 1.00855.43 N ATOM 42509 C2 C B2027 -881.845 -90.900 99.424 1.00855.43 C ATOM 42510 O2 C B2027 -882.946 -90.481 99.808 1.00855.43 O ATOM 42511 N3 C B2027 -881.124 -91.789 100.147 1.00855.43 N ATOM 42512 C4 C B2027 -879.943 -92.215 99.696 1.00855.43 C ATOM 42513 N4 C B2027 -879.263 -93.085 100.443 1.00855.43 N ATOM 42514 C5 C B2027 -879.403 -91.764 98.460 1.00855.43 C ATOM 42515 C6 C B2027 -880.123 -90.888 97.755 1.00855.43 C ATOM 42516 P C B2028 -879.277 -85.631 96.875 1.00855.43 P ATOM 42517 O1P C B2028 -879.316 -84.251 96.331 1.00855.43 O ATOM 42518 O2P C B2028 -878.033 -86.435 96.754 1.00855.43 O ATOM 42519 O5* C B2028 -879.686 -85.575 98.416 1.00855.43 O ATOM 42520 C5* C B2028 -880.697 -84.678 98.863 1.00855.43 C ATOM 42521 C4* C B2028 -880.951 -84.856 100.340 1.00855.43 C ATOM 42522 O4* C B2028 -881.314 -86.231 100.634 1.00855.43 O ATOM 42523 C3* C B2028 -879.776 -84.560 101.248 1.00855.43 C ATOM 42524 O3* C B2028 -879.697 -83.168 101.525 1.00855.43 O ATOM 42525 C2* C B2028 -880.092 -85.382 102.491 1.00855.43 C ATOM 42526 O2* C B2028 -880.996 -84.728 103.359 1.00855.43 O ATOM 42527 C1* C B2028 -880.769 -86.612 101.887 1.00855.43 C ATOM 42528 N1 C B2028 -879.807 -87.704 101.671 1.00855.43 N ATOM 42529 C2 C B2028 -879.658 -88.682 102.664 1.00855.43 C ATOM 42530 O2 C B2028 -880.349 -88.604 103.692 1.00855.43 O ATOM 42531 N3 C B2028 -878.765 -89.680 102.479 1.00855.43 N ATOM 42532 C4 C B2028 -878.040 -89.726 101.358 1.00855.43 C ATOM 42533 N4 C B2028 -877.171 -90.728 101.218 1.00855.43 N ATOM 42534 C5 C B2028 -878.174 -88.748 100.331 1.00855.43 C ATOM 42535 C6 C B2028 -879.061 -87.765 100.526 1.00855.43 C ATOM 42536 P G B2029 -878.317 -82.550 102.069 1.00855.43 P ATOM 42537 O1P G B2029 -878.473 -81.072 102.066 1.00855.43 O ATOM 42538 O2P G B2029 -877.198 -83.169 101.316 1.00855.43 O ATOM 42539 O5* G B2029 -878.253 -83.058 103.579 1.00855.43 O ATOM 42540 C5* G B2029 -879.183 -82.561 104.522 1.00855.43 C ATOM 42541 C4* G B2029 -878.923 -83.116 105.907 1.00855.43 C ATOM 42542 O4* G B2029 -879.044 -84.556 105.890 1.00855.43 O ATOM 42543 C3* G B2029 -877.509 -82.796 106.400 1.00855.43 C ATOM 42544 O3* G B2029 -877.441 -81.583 107.146 1.00855.43 O ATOM 42545 C2* G B2029 -877.209 -83.982 107.309 1.00855.43 C ATOM 42546 O2* G B2029 -877.723 -83.800 108.614 1.00855.43 O ATOM 42547 C1* G B2029 -877.980 -85.116 106.626 1.00855.43 C ATOM 42548 N9 G B2029 -877.148 -85.899 105.719 1.00855.43 N ATOM 42549 C8 G B2029 -877.183 -85.928 104.346 1.00855.43 C ATOM 42550 N7 G B2029 -876.304 -86.745 103.834 1.00855.43 N ATOM 42551 C5 G B2029 -875.653 -87.284 104.936 1.00855.43 C ATOM 42552 C6 G B2029 -874.603 -88.235 105.015 1.00855.43 C ATOM 42553 O6 G B2029 -874.016 -88.815 104.092 1.00855.43 O ATOM 42554 N1 G B2029 -874.248 -88.492 106.337 1.00855.43 N ATOM 42555 C2 G B2029 -874.829 -87.914 107.438 1.00855.43 C ATOM 42556 N2 G B2029 -874.353 -88.289 108.634 1.00855.43 N ATOM 42557 N3 G B2029 -875.804 -87.031 107.376 1.00855.43 N ATOM 42558 C4 G B2029 -876.164 -86.768 106.106 1.00855.43 C ATOM 42559 P U B2030 -876.261 -80.521 106.868 1.00855.43 P ATOM 42560 O1P U B2030 -876.695 -79.195 107.377 1.00855.43 O ATOM 42561 O2P U B2030 -875.832 -80.655 105.456 1.00855.43 O ATOM 42562 O5* U B2030 -875.070 -81.010 107.805 1.00855.43 O ATOM 42563 C5* U B2030 -875.156 -80.906 109.227 1.00855.43 C ATOM 42564 C4* U B2030 -874.188 -81.873 109.861 1.00855.43 C ATOM 42565 O4* U B2030 -874.485 -83.197 109.347 1.00855.43 O ATOM 42566 C3* U B2030 -872.708 -81.683 109.562 1.00855.43 C ATOM 42567 O3* U B2030 -872.117 -80.726 110.437 1.00855.43 O ATOM 42568 C2* U B2030 -872.142 -83.084 109.757 1.00855.43 C ATOM 42569 O2* U B2030 -871.879 -83.383 111.111 1.00855.43 O ATOM 42570 C1* U B2030 -873.295 -83.958 109.253 1.00855.43 C ATOM 42571 N1 U B2030 -873.156 -84.374 107.849 1.00855.43 N ATOM 42572 C2 U B2030 -872.420 -85.513 107.575 1.00855.43 C ATOM 42573 O2 U B2030 -871.869 -86.167 108.442 1.00855.43 O ATOM 42574 N3 U B2030 -872.360 -85.854 106.247 1.00855.43 N ATOM 42575 C4 U B2030 -872.941 -85.187 105.189 1.00855.43 C ATOM 42576 O4 U B2030 -872.826 -85.635 104.047 1.00855.43 O ATOM 42577 C5 U B2030 -873.673 -84.015 105.555 1.00855.43 C ATOM 42578 C6 U B2030 -873.751 -83.658 106.837 1.00855.43 C ATOM 42579 P A B2031 -870.685 -80.093 110.070 1.00855.43 P ATOM 42580 O1P A B2031 -870.424 -78.996 111.035 1.00855.43 O ATOM 42581 O2P A B2031 -870.646 -79.815 108.612 1.00855.43 O ATOM 42582 O5* A B2031 -869.660 -81.273 110.380 1.00855.43 O ATOM 42583 C5* A B2031 -869.423 -81.701 111.718 1.00855.43 C ATOM 42584 C4* A B2031 -868.423 -82.828 111.736 1.00855.43 C ATOM 42585 O4* A B2031 -868.929 -83.964 110.984 1.00855.43 O ATOM 42586 C3* A B2031 -867.077 -82.507 111.109 1.00855.43 C ATOM 42587 O3* A B2031 -866.223 -81.871 112.052 1.00855.43 O ATOM 42588 C2* A B2031 -866.561 -83.881 110.688 1.00855.43 C ATOM 42589 O2* A B2031 -865.927 -84.572 111.743 1.00855.43 O ATOM 42590 C1* A B2031 -867.858 -84.604 110.317 1.00855.43 C ATOM 42591 N9 A B2031 -868.146 -84.616 108.881 1.00855.43 N ATOM 42592 C8 A B2031 -869.049 -83.850 108.185 1.00855.43 C ATOM 42593 N7 A B2031 -869.088 -84.112 106.902 1.00855.43 N ATOM 42594 C5 A B2031 -868.141 -85.118 106.736 1.00855.43 C ATOM 42595 C6 A B2031 -867.704 -85.837 105.608 1.00855.43 C ATOM 42596 N6 A B2031 -868.190 -85.658 104.377 1.00855.43 N ATOM 42597 N1 A B2031 -866.741 -86.764 105.791 1.00855.43 N ATOM 42598 C2 A B2031 -866.261 -86.953 107.026 1.00855.43 C ATOM 42599 N3 A B2031 -866.592 -86.347 108.161 1.00855.43 N ATOM 42600 C4 A B2031 -867.549 -85.430 107.949 1.00855.43 C ATOM 42601 P G B2032 -865.354 -80.596 111.601 1.00855.43 P ATOM 42602 O1P G B2032 -864.496 -80.232 112.758 1.00855.43 O ATOM 42603 O2P G B2032 -866.266 -79.581 111.015 1.00855.43 O ATOM 42604 O5* G B2032 -864.410 -81.164 110.452 1.00855.43 O ATOM 42605 C5* G B2032 -863.324 -82.019 110.782 1.00855.43 C ATOM 42606 C4* G B2032 -862.742 -82.659 109.544 1.00855.43 C ATOM 42607 O4* G B2032 -863.758 -83.410 108.834 1.00855.43 O ATOM 42608 C3* G B2032 -862.138 -81.775 108.463 1.00855.43 C ATOM 42609 O3* G B2032 -860.822 -81.351 108.799 1.00855.43 O ATOM 42610 C2* G B2032 -862.113 -82.709 107.254 1.00855.43 C ATOM 42611 O2* G B2032 -860.975 -83.544 107.243 1.00855.43 O ATOM 42612 C1* G B2032 -863.348 -83.577 107.488 1.00855.43 C ATOM 42613 N9 G B2032 -864.451 -83.256 106.590 1.00855.43 N ATOM 42614 C8 G B2032 -865.528 -82.435 106.822 1.00855.43 C ATOM 42615 N7 G B2032 -866.324 -82.332 105.792 1.00855.43 N ATOM 42616 C5 G B2032 -865.737 -83.138 104.822 1.00855.43 C ATOM 42617 C6 G B2032 -866.138 -83.426 103.486 1.00855.43 C ATOM 42618 O6 G B2032 -867.124 -83.010 102.862 1.00855.43 O ATOM 42619 N1 G B2032 -865.250 -84.296 102.866 1.00855.43 N ATOM 42620 C2 G B2032 -864.122 -84.822 103.445 1.00855.43 C ATOM 42621 N2 G B2032 -863.394 -85.652 102.686 1.00855.43 N ATOM 42622 N3 G B2032 -863.739 -84.562 104.681 1.00855.43 N ATOM 42623 C4 G B2032 -864.586 -83.719 105.308 1.00855.43 C ATOM 42624 P C B2033 -860.207 -80.043 108.095 1.00855.43 P ATOM 42625 O1P C B2033 -858.916 -79.735 108.761 1.00855.43 O ATOM 42626 O2P C B2033 -861.264 -79.002 108.036 1.00855.43 O ATOM 42627 O5* C B2033 -859.896 -80.517 106.606 1.00855.43 O ATOM 42628 C5* C B2033 -858.874 -81.475 106.349 1.00855.43 C ATOM 42629 C4* C B2033 -858.817 -81.805 104.874 1.00855.43 C ATOM 42630 O4* C B2033 -860.079 -82.370 104.438 1.00855.43 O ATOM 42631 C3* C B2033 -858.576 -80.648 103.919 1.00855.43 C ATOM 42632 O3* C B2033 -857.179 -80.381 103.824 1.00855.43 O ATOM 42633 C2* C B2033 -859.146 -81.165 102.601 1.00855.43 C ATOM 42634 O2* C B2033 -858.215 -81.944 101.874 1.00855.43 O ATOM 42635 C1* C B2033 -860.288 -82.067 103.071 1.00855.43 C ATOM 42636 N1 C B2033 -861.646 -81.506 102.917 1.00855.43 N ATOM 42637 C2 C B2033 -862.559 -82.159 102.074 1.00855.43 C ATOM 42638 O2 C B2033 -862.195 -83.165 101.453 1.00855.43 O ATOM 42639 N3 C B2033 -863.815 -81.671 101.958 1.00855.43 N ATOM 42640 C4 C B2033 -864.171 -80.580 102.637 1.00855.43 C ATOM 42641 N4 C B2033 -865.427 -80.143 102.500 1.00855.43 N ATOM 42642 C5 C B2033 -863.259 -79.887 103.483 1.00855.43 C ATOM 42643 C6 C B2033 -862.019 -80.380 103.593 1.00855.43 C ATOM 42644 P A B2034 -856.671 -78.978 103.226 1.00855.43 P ATOM 42645 O1P A B2034 -855.845 -78.307 104.264 1.00855.43 O ATOM 42646 O2P A B2034 -857.833 -78.265 102.644 1.00855.43 O ATOM 42647 O5* A B2034 -855.704 -79.407 102.035 1.00855.43 O ATOM 42648 C5* A B2034 -855.412 -78.500 100.979 1.00855.43 C ATOM 42649 C4* A B2034 -856.229 -78.851 99.761 1.00855.43 C ATOM 42650 O4* A B2034 -857.563 -79.233 100.175 1.00855.43 O ATOM 42651 C3* A B2034 -856.416 -77.755 98.704 1.00855.43 C ATOM 42652 O3* A B2034 -855.352 -77.701 97.753 1.00855.43 O ATOM 42653 C2* A B2034 -857.728 -78.163 98.044 1.00855.43 C ATOM 42654 O2* A B2034 -857.489 -79.136 97.066 1.00855.43 O ATOM 42655 C1* A B2034 -858.493 -78.819 99.198 1.00855.43 C ATOM 42656 N9 A B2034 -859.529 -78.014 99.842 1.00855.43 N ATOM 42657 C8 A B2034 -859.383 -76.827 100.515 1.00855.43 C ATOM 42658 N7 A B2034 -860.505 -76.361 101.014 1.00855.43 N ATOM 42659 C5 A B2034 -861.453 -77.305 100.637 1.00855.43 C ATOM 42660 C6 A B2034 -862.836 -77.397 100.860 1.00855.43 C ATOM 42661 N6 A B2034 -863.539 -76.502 101.557 1.00855.43 N ATOM 42662 N1 A B2034 -863.484 -78.462 100.345 1.00855.43 N ATOM 42663 C2 A B2034 -862.778 -79.367 99.661 1.00855.43 C ATOM 42664 N3 A B2034 -861.478 -79.395 99.386 1.00855.43 N ATOM 42665 C4 A B2034 -860.865 -78.321 99.908 1.00855.43 C ATOM 42666 P G B2035 -855.488 -76.779 96.439 1.00855.43 P ATOM 42667 O1P G B2035 -854.106 -76.436 96.015 1.00855.43 O ATOM 42668 O2P G B2035 -856.456 -75.692 96.727 1.00855.43 O ATOM 42669 O5* G B2035 -856.112 -77.736 95.327 1.00855.43 O ATOM 42670 C5* G B2035 -855.387 -78.045 94.137 1.00855.43 C ATOM 42671 C4* G B2035 -856.338 -78.344 92.989 1.00855.43 C ATOM 42672 O4* G B2035 -856.926 -79.657 93.162 1.00855.43 O ATOM 42673 C3* G B2035 -857.526 -77.442 92.877 1.00855.43 C ATOM 42674 O3* G B2035 -857.133 -76.272 92.178 1.00855.43 O ATOM 42675 C2* G B2035 -858.534 -78.276 92.095 1.00855.43 C ATOM 42676 O2* G B2035 -858.313 -78.239 90.700 1.00855.43 O ATOM 42677 C1* G B2035 -858.236 -79.679 92.621 1.00855.43 C ATOM 42678 N9 G B2035 -859.160 -80.029 93.693 1.00855.43 N ATOM 42679 C8 G B2035 -858.832 -80.406 94.972 1.00855.43 C ATOM 42680 N7 G B2035 -859.874 -80.616 95.727 1.00855.43 N ATOM 42681 C5 G B2035 -860.957 -80.372 94.895 1.00855.43 C ATOM 42682 C6 G B2035 -862.344 -80.427 95.166 1.00855.43 C ATOM 42683 O6 G B2035 -862.909 -80.708 96.227 1.00855.43 O ATOM 42684 N1 G B2035 -863.097 -80.102 94.040 1.00855.43 N ATOM 42685 C2 G B2035 -862.580 -79.768 92.818 1.00855.43 C ATOM 42686 N2 G B2035 -863.476 -79.488 91.859 1.00855.43 N ATOM 42687 N3 G B2035 -861.283 -79.710 92.550 1.00855.43 N ATOM 42688 C4 G B2035 -860.535 -80.021 93.633 1.00855.43 C ATOM 42689 P G B2036 -857.741 -74.855 92.619 1.00855.43 P ATOM 42690 O1P G B2036 -857.026 -73.809 91.841 1.00855.43 O ATOM 42691 O2P G B2036 -857.743 -74.792 94.104 1.00855.43 O ATOM 42692 O5* G B2036 -859.250 -74.910 92.114 1.00855.43 O ATOM 42693 C5* G B2036 -859.528 -75.235 90.761 1.00855.43 C ATOM 42694 C4* G B2036 -860.993 -75.506 90.544 1.00855.43 C ATOM 42695 O4* G B2036 -861.400 -76.720 91.233 1.00855.43 O ATOM 42696 C3* G B2036 -861.897 -74.436 91.084 1.00855.43 C ATOM 42697 O3* G B2036 -862.020 -73.403 90.124 1.00855.43 O ATOM 42698 C2* G B2036 -863.208 -75.177 91.302 1.00855.43 C ATOM 42699 O2* G B2036 -863.970 -75.303 90.118 1.00855.43 O ATOM 42700 C1* G B2036 -862.707 -76.548 91.756 1.00855.43 C ATOM 42701 N9 G B2036 -862.637 -76.558 93.209 1.00855.43 N ATOM 42702 C8 G B2036 -861.516 -76.642 94.003 1.00855.43 C ATOM 42703 N7 G B2036 -861.790 -76.563 95.276 1.00855.43 N ATOM 42704 C5 G B2036 -863.169 -76.428 95.325 1.00855.43 C ATOM 42705 C6 G B2036 -864.044 -76.287 96.433 1.00855.43 C ATOM 42706 O6 G B2036 -863.766 -76.245 97.635 1.00855.43 O ATOM 42707 N1 G B2036 -865.372 -76.179 96.023 1.00855.43 N ATOM 42708 C2 G B2036 -865.801 -76.203 94.719 1.00855.43 C ATOM 42709 N2 G B2036 -867.121 -76.081 94.522 1.00855.43 N ATOM 42710 N3 G B2036 -864.996 -76.332 93.682 1.00855.43 N ATOM 42711 C4 G B2036 -863.706 -76.439 94.057 1.00855.43 C ATOM 42712 P A B2037 -861.443 -71.944 90.467 1.00855.43 P ATOM 42713 O1P A B2037 -860.115 -71.815 89.818 1.00855.43 O ATOM 42714 O2P A B2037 -861.566 -71.745 91.933 1.00855.43 O ATOM 42715 O5* A B2037 -862.463 -70.957 89.741 1.00855.43 O ATOM 42716 C5* A B2037 -863.033 -71.299 88.484 1.00855.43 C ATOM 42717 C4* A B2037 -864.540 -71.368 88.578 1.00855.43 C ATOM 42718 O4* A B2037 -864.942 -72.338 89.581 1.00855.43 O ATOM 42719 C3* A B2037 -865.220 -70.066 88.960 1.00855.43 C ATOM 42720 O3* A B2037 -865.500 -69.353 87.762 1.00855.43 O ATOM 42721 C2* A B2037 -866.504 -70.529 89.636 1.00855.43 C ATOM 42722 O2* A B2037 -867.536 -70.797 88.710 1.00855.43 O ATOM 42723 C1* A B2037 -866.063 -71.839 90.295 1.00855.43 C ATOM 42724 N9 A B2037 -865.693 -71.680 91.699 1.00855.43 N ATOM 42725 C8 A B2037 -864.521 -71.203 92.230 1.00855.43 C ATOM 42726 N7 A B2037 -864.504 -71.189 93.542 1.00855.43 N ATOM 42727 C5 A B2037 -865.749 -71.693 93.898 1.00855.43 C ATOM 42728 C6 A B2037 -866.353 -71.932 95.145 1.00855.43 C ATOM 42729 N6 A B2037 -865.756 -71.690 96.314 1.00855.43 N ATOM 42730 N1 A B2037 -867.608 -72.436 95.148 1.00855.43 N ATOM 42731 C2 A B2037 -868.202 -72.681 93.976 1.00855.43 C ATOM 42732 N3 A B2037 -867.740 -72.497 92.741 1.00855.43 N ATOM 42733 C4 A B2037 -866.492 -71.996 92.774 1.00855.43 C ATOM 42734 P C B2038 -865.852 -67.787 87.834 1.00855.43 P ATOM 42735 O1P C B2038 -865.078 -67.208 88.961 1.00855.43 O ATOM 42736 O2P C B2038 -867.330 -67.640 87.806 1.00855.43 O ATOM 42737 O5* C B2038 -865.262 -67.204 86.475 1.00855.43 O ATOM 42738 C5* C B2038 -863.944 -66.668 86.420 1.00855.43 C ATOM 42739 C4* C B2038 -862.936 -67.741 86.747 1.00855.43 C ATOM 42740 O4* C B2038 -862.201 -68.089 85.551 1.00855.43 O ATOM 42741 C3* C B2038 -861.866 -67.303 87.720 1.00855.43 C ATOM 42742 O3* C B2038 -862.327 -67.483 89.060 1.00855.43 O ATOM 42743 C2* C B2038 -860.693 -68.229 87.396 1.00855.43 C ATOM 42744 O2* C B2038 -860.765 -69.459 88.084 1.00855.43 O ATOM 42745 C1* C B2038 -860.888 -68.483 85.897 1.00855.43 C ATOM 42746 N1 C B2038 -859.946 -67.767 85.019 1.00855.43 N ATOM 42747 C2 C B2038 -858.955 -68.499 84.354 1.00855.43 C ATOM 42748 O2 C B2038 -858.880 -69.719 84.550 1.00855.43 O ATOM 42749 N3 C B2038 -858.108 -67.855 83.517 1.00855.43 N ATOM 42750 C4 C B2038 -858.218 -66.539 83.343 1.00855.43 C ATOM 42751 N4 C B2038 -857.370 -65.948 82.501 1.00855.43 N ATOM 42752 C5 C B2038 -859.203 -65.768 84.024 1.00855.43 C ATOM 42753 C6 C B2038 -860.040 -66.416 84.841 1.00855.43 C ATOM 42754 P G B2039 -862.426 -66.217 90.050 1.00855.43 P ATOM 42755 O1P G B2039 -863.545 -66.487 90.988 1.00855.43 O ATOM 42756 O2P G B2039 -862.444 -64.981 89.226 1.00855.43 O ATOM 42757 O5* G B2039 -861.049 -66.234 90.863 1.00855.43 O ATOM 42758 C5* G B2039 -860.663 -67.367 91.647 1.00855.43 C ATOM 42759 C4* G B2039 -861.521 -67.473 92.901 1.00855.43 C ATOM 42760 O4* G B2039 -861.145 -68.598 93.756 1.00855.43 O ATOM 42761 C3* G B2039 -861.443 -66.247 93.763 1.00855.43 C ATOM 42762 O3* G B2039 -862.386 -65.314 93.248 1.00855.43 O ATOM 42763 C2* G B2039 -861.831 -66.781 95.148 1.00855.43 C ATOM 42764 O2* G B2039 -863.237 -66.866 95.279 1.00855.43 O ATOM 42765 C1* G B2039 -861.267 -68.208 95.126 1.00855.43 C ATOM 42766 N9 G B2039 -860.016 -68.493 95.866 1.00855.43 N ATOM 42767 C8 G B2039 -859.173 -69.558 95.626 1.00855.43 C ATOM 42768 N7 G B2039 -858.159 -69.626 96.468 1.00855.43 N ATOM 42769 C5 G B2039 -858.314 -68.529 97.325 1.00855.43 C ATOM 42770 C6 G B2039 -857.493 -68.041 98.522 1.00855.43 C ATOM 42771 O6 G B2039 -856.457 -68.477 99.082 1.00855.43 O ATOM 42772 N1 G B2039 -858.029 -66.911 99.075 1.00855.43 N ATOM 42773 C2 G B2039 -859.135 -66.281 98.645 1.00855.43 C ATOM 42774 N2 G B2039 -859.373 -65.210 99.448 1.00855.43 N ATOM 42775 N3 G B2039 -859.914 -66.660 97.579 1.00855.43 N ATOM 42776 C4 G B2039 -859.443 -67.795 96.972 1.00855.43 C ATOM 42777 P A B2040 -861.885 -63.841 92.841 1.00855.43 P ATOM 42778 O1P A B2040 -862.328 -63.556 91.449 1.00855.43 O ATOM 42779 O2P A B2040 -860.447 -63.723 93.192 1.00855.43 O ATOM 42780 O5* A B2040 -862.707 -62.900 93.824 1.00855.43 O ATOM 42781 C5* A B2040 -863.996 -63.296 94.264 1.00855.43 C ATOM 42782 C4* A B2040 -864.107 -63.183 95.763 1.00855.43 C ATOM 42783 O4* A B2040 -863.157 -64.066 96.408 1.00855.43 O ATOM 42784 C3* A B2040 -863.771 -61.802 96.259 1.00855.43 C ATOM 42785 O3* A B2040 -864.930 -60.978 96.206 1.00855.43 O ATOM 42786 C2* A B2040 -863.288 -62.054 97.682 1.00855.43 C ATOM 42787 O2* A B2040 -864.349 -62.154 98.606 1.00855.43 O ATOM 42788 C1* A B2040 -862.597 -63.414 97.538 1.00855.43 C ATOM 42789 N9 A B2040 -861.160 -63.277 97.330 1.00855.43 N ATOM 42790 C8 A B2040 -860.398 -63.697 96.265 1.00855.43 C ATOM 42791 N7 A B2040 -859.128 -63.383 96.369 1.00855.43 N ATOM 42792 C5 A B2040 -859.043 -62.722 97.587 1.00855.43 C ATOM 42793 C6 A B2040 -857.969 -62.133 98.277 1.00855.43 C ATOM 42794 N6 A B2040 -856.716 -62.102 97.820 1.00855.43 N ATOM 42795 N1 A B2040 -858.229 -61.559 99.472 1.00855.43 N ATOM 42796 C2 A B2040 -859.486 -61.576 99.932 1.00855.43 C ATOM 42797 N3 A B2040 -860.577 -62.096 99.377 1.00855.43 N ATOM 42798 C4 A B2040 -860.285 -62.659 98.193 1.00855.43 C ATOM 42799 P A B2041 -864.890 -59.620 95.353 1.00855.43 P ATOM 42800 O1P A B2041 -866.267 -59.059 95.333 1.00855.43 O ATOM 42801 O2P A B2041 -864.191 -59.899 94.073 1.00855.43 O ATOM 42802 O5* A B2041 -863.971 -58.658 96.229 1.00855.43 O ATOM 42803 C5* A B2041 -864.409 -58.196 97.503 1.00855.43 C ATOM 42804 C4* A B2041 -863.369 -57.284 98.111 1.00855.43 C ATOM 42805 O4* A B2041 -862.188 -58.045 98.467 1.00855.43 O ATOM 42806 C3* A B2041 -862.856 -56.173 97.216 1.00855.43 C ATOM 42807 O3* A B2041 -863.738 -55.052 97.232 1.00855.43 O ATOM 42808 C2* A B2041 -861.491 -55.859 97.821 1.00855.43 C ATOM 42809 O2* A B2041 -861.577 -54.984 98.927 1.00855.43 O ATOM 42810 C1* A B2041 -861.037 -57.240 98.298 1.00855.43 C ATOM 42811 N9 A B2041 -860.144 -57.916 97.356 1.00855.43 N ATOM 42812 C8 A B2041 -860.468 -58.458 96.136 1.00855.43 C ATOM 42813 N7 A B2041 -859.449 -59.003 95.516 1.00855.43 N ATOM 42814 C5 A B2041 -858.384 -58.801 96.382 1.00855.43 C ATOM 42815 C6 A B2041 -857.023 -59.145 96.301 1.00855.43 C ATOM 42816 N6 A B2041 -856.482 -59.792 95.267 1.00855.43 N ATOM 42817 N1 A B2041 -856.225 -58.793 97.335 1.00855.43 N ATOM 42818 C2 A B2041 -856.770 -58.143 98.372 1.00855.43 C ATOM 42819 N3 A B2041 -858.033 -57.767 98.562 1.00855.43 N ATOM 42820 C4 A B2041 -858.797 -58.131 97.518 1.00855.43 C ATOM 42821 P A B2042 -864.251 -54.432 95.841 1.00855.43 P ATOM 42822 O1P A B2042 -865.583 -53.821 96.081 1.00855.43 O ATOM 42823 O2P A B2042 -864.105 -55.471 94.791 1.00855.43 O ATOM 42824 O5* A B2042 -863.219 -53.264 95.520 1.00855.43 O ATOM 42825 C5* A B2042 -863.291 -52.004 96.184 1.00855.43 C ATOM 42826 C4* A B2042 -862.009 -51.241 95.968 1.00855.43 C ATOM 42827 O4* A B2042 -860.931 -51.998 96.583 1.00855.43 O ATOM 42828 C3* A B2042 -861.562 -51.080 94.532 1.00855.43 C ATOM 42829 O3* A B2042 -862.199 -49.980 93.897 1.00855.43 O ATOM 42830 C2* A B2042 -860.058 -50.905 94.665 1.00855.43 C ATOM 42831 O2* A B2042 -859.692 -49.586 95.014 1.00855.43 O ATOM 42832 C1* A B2042 -859.746 -51.857 95.819 1.00855.43 C ATOM 42833 N9 A B2042 -859.388 -53.188 95.332 1.00855.43 N ATOM 42834 C8 A B2042 -860.258 -54.195 94.983 1.00855.43 C ATOM 42835 N7 A B2042 -859.668 -55.288 94.571 1.00855.43 N ATOM 42836 C5 A B2042 -858.316 -54.986 94.656 1.00855.43 C ATOM 42837 C6 A B2042 -857.165 -55.732 94.361 1.00855.43 C ATOM 42838 N6 A B2042 -857.197 -56.986 93.899 1.00855.43 N ATOM 42839 N1 A B2042 -855.969 -55.141 94.555 1.00855.43 N ATOM 42840 C2 A B2042 -855.941 -53.883 95.017 1.00855.43 C ATOM 42841 N3 A B2042 -856.954 -53.079 95.331 1.00855.43 N ATOM 42842 C4 A B2042 -858.129 -53.696 95.122 1.00855.43 C ATOM 42843 P A B2043 -862.758 -50.141 92.395 1.00855.43 P ATOM 42844 O1P A B2043 -863.472 -48.884 92.058 1.00855.43 O ATOM 42845 O2P A B2043 -863.474 -51.437 92.313 1.00855.43 O ATOM 42846 O5* A B2043 -861.453 -50.233 91.478 1.00855.43 O ATOM 42847 C5* A B2043 -860.799 -51.483 91.265 1.00855.43 C ATOM 42848 C4* A B2043 -860.819 -51.860 89.797 1.00855.43 C ATOM 42849 O4* A B2043 -862.184 -51.978 89.317 1.00855.43 O ATOM 42850 C3* A B2043 -860.121 -50.914 88.824 1.00855.43 C ATOM 42851 O3* A B2043 -858.729 -51.196 88.750 1.00855.43 O ATOM 42852 C2* A B2043 -860.812 -51.239 87.503 1.00855.43 C ATOM 42853 O2* A B2043 -860.232 -52.323 86.808 1.00855.43 O ATOM 42854 C1* A B2043 -862.227 -51.609 87.952 1.00855.43 C ATOM 42855 N9 A B2043 -863.177 -50.518 87.776 1.00855.43 N ATOM 42856 C8 A B2043 -863.729 -49.702 88.726 1.00855.43 C ATOM 42857 N7 A B2043 -864.520 -48.783 88.235 1.00855.43 N ATOM 42858 C5 A B2043 -864.506 -49.020 86.869 1.00855.43 C ATOM 42859 C6 A B2043 -865.153 -48.390 85.790 1.00855.43 C ATOM 42860 N6 A B2043 -865.980 -47.348 85.922 1.00855.43 N ATOM 42861 N1 A B2043 -864.920 -48.873 84.549 1.00855.43 N ATOM 42862 C2 A B2043 -864.092 -49.914 84.416 1.00855.43 C ATOM 42863 N3 A B2043 -863.428 -50.591 85.352 1.00855.43 N ATOM 42864 C4 A B2043 -863.683 -50.085 86.572 1.00855.43 C ATOM 42865 P G B2044 -857.782 -50.277 87.835 1.00855.43 P ATOM 42866 O1P G B2044 -857.859 -48.894 88.373 1.00855.43 O ATOM 42867 O2P G B2044 -858.112 -50.527 86.409 1.00855.43 O ATOM 42868 O5* G B2044 -856.316 -50.838 88.111 1.00855.43 O ATOM 42869 C5* G B2044 -856.047 -52.236 88.090 1.00855.43 C ATOM 42870 C4* G B2044 -854.734 -52.514 88.782 1.00855.43 C ATOM 42871 O4* G B2044 -854.457 -53.933 88.797 1.00855.43 O ATOM 42872 C3* G B2044 -853.523 -51.878 88.135 1.00855.43 C ATOM 42873 O3* G B2044 -853.406 -50.547 88.634 1.00855.43 O ATOM 42874 C2* G B2044 -852.371 -52.769 88.603 1.00855.43 C ATOM 42875 O2* G B2044 -851.842 -52.358 89.846 1.00855.43 O ATOM 42876 C1* G B2044 -853.058 -54.127 88.778 1.00855.43 C ATOM 42877 N9 G B2044 -852.733 -55.162 87.801 1.00855.43 N ATOM 42878 C8 G B2044 -853.565 -55.694 86.852 1.00855.43 C ATOM 42879 N7 G B2044 -852.997 -56.627 86.137 1.00855.43 N ATOM 42880 C5 G B2044 -851.713 -56.715 86.645 1.00855.43 C ATOM 42881 C6 G B2044 -850.632 -57.558 86.274 1.00855.43 C ATOM 42882 O6 G B2044 -850.600 -58.430 85.398 1.00855.43 O ATOM 42883 N1 G B2044 -849.502 -57.312 87.048 1.00855.43 N ATOM 42884 C2 G B2044 -849.421 -56.377 88.049 1.00855.43 C ATOM 42885 N2 G B2044 -848.241 -56.288 88.681 1.00855.43 N ATOM 42886 N3 G B2044 -850.420 -55.586 88.406 1.00855.43 N ATOM 42887 C4 G B2044 -851.526 -55.809 87.666 1.00855.43 C ATOM 42888 P A B2045 -853.152 -49.330 87.616 1.00855.43 P ATOM 42889 O1P A B2045 -853.893 -48.154 88.145 1.00855.43 O ATOM 42890 O2P A B2045 -853.416 -49.800 86.235 1.00855.43 O ATOM 42891 O5* A B2045 -851.591 -49.038 87.761 1.00855.43 O ATOM 42892 C5* A B2045 -851.123 -47.779 88.239 1.00855.43 C ATOM 42893 C4* A B2045 -850.708 -47.888 89.687 1.00855.43 C ATOM 42894 O4* A B2045 -851.875 -47.956 90.535 1.00855.43 O ATOM 42895 C3* A B2045 -849.860 -49.099 90.057 1.00855.43 C ATOM 42896 O3* A B2045 -848.474 -48.852 89.826 1.00855.43 O ATOM 42897 C2* A B2045 -850.148 -49.269 91.549 1.00855.43 C ATOM 42898 O2* A B2045 -849.303 -48.466 92.350 1.00855.43 O ATOM 42899 C1* A B2045 -851.586 -48.750 91.668 1.00855.43 C ATOM 42900 N9 A B2045 -852.649 -49.736 91.849 1.00855.43 N ATOM 42901 C8 A B2045 -852.595 -50.994 92.406 1.00855.43 C ATOM 42902 N7 A B2045 -853.739 -51.641 92.372 1.00855.43 N ATOM 42903 C5 A B2045 -854.609 -50.740 91.765 1.00855.43 C ATOM 42904 C6 A B2045 -855.971 -50.819 91.427 1.00855.43 C ATOM 42905 N6 A B2045 -856.735 -51.893 91.650 1.00855.43 N ATOM 42906 N1 A B2045 -856.536 -49.743 90.833 1.00855.43 N ATOM 42907 C2 A B2045 -855.771 -48.672 90.588 1.00855.43 C ATOM 42908 N3 A B2045 -854.479 -48.481 90.850 1.00855.43 N ATOM 42909 C4 A B2045 -853.952 -49.565 91.447 1.00855.43 C ATOM 42910 P C B2046 -847.675 -49.704 88.721 1.00855.43 P ATOM 42911 O1P C B2046 -846.491 -48.901 88.323 1.00855.43 O ATOM 42912 O2P C B2046 -848.642 -50.148 87.683 1.00855.43 O ATOM 42913 O5* C B2046 -847.159 -50.988 89.509 1.00855.43 O ATOM 42914 C5* C B2046 -845.854 -51.024 90.086 1.00855.43 C ATOM 42915 C4* C B2046 -844.956 -51.922 89.271 1.00855.43 C ATOM 42916 O4* C B2046 -845.646 -53.173 89.032 1.00855.43 O ATOM 42917 C3* C B2046 -844.604 -51.411 87.888 1.00855.43 C ATOM 42918 O3* C B2046 -843.426 -50.608 87.965 1.00855.43 O ATOM 42919 C2* C B2046 -844.338 -52.686 87.100 1.00855.43 C ATOM 42920 O2* C B2046 -843.020 -53.167 87.274 1.00855.43 O ATOM 42921 C1* C B2046 -845.326 -53.662 87.744 1.00855.43 C ATOM 42922 N1 C B2046 -846.583 -53.817 86.991 1.00855.43 N ATOM 42923 C2 C B2046 -846.665 -54.800 86.003 1.00855.43 C ATOM 42924 O2 C B2046 -845.678 -55.513 85.777 1.00855.43 O ATOM 42925 N3 C B2046 -847.823 -54.950 85.314 1.00855.43 N ATOM 42926 C4 C B2046 -848.865 -54.161 85.585 1.00855.43 C ATOM 42927 N4 C B2046 -849.987 -54.347 84.883 1.00855.43 N ATOM 42928 C5 C B2046 -848.808 -53.149 86.586 1.00855.43 C ATOM 42929 C6 C B2046 -847.657 -53.013 87.258 1.00855.43 C ATOM 42930 P C B2047 -843.186 -49.440 86.890 1.00855.43 P ATOM 42931 O1P C B2047 -841.777 -48.994 87.028 1.00855.43 O ATOM 42932 O2P C B2047 -844.285 -48.450 87.017 1.00855.43 O ATOM 42933 O5* C B2047 -843.328 -50.161 85.475 1.00855.43 O ATOM 42934 C5* C B2047 -843.687 -49.400 84.329 1.00855.43 C ATOM 42935 C4* C B2047 -844.177 -50.294 83.217 1.00855.43 C ATOM 42936 O4* C B2047 -845.177 -51.211 83.722 1.00855.43 O ATOM 42937 C3* C B2047 -844.874 -49.568 82.096 1.00855.43 C ATOM 42938 O3* C B2047 -843.911 -49.035 81.199 1.00855.43 O ATOM 42939 C2* C B2047 -845.773 -50.636 81.490 1.00855.43 C ATOM 42940 O2* C B2047 -845.091 -51.469 80.576 1.00855.43 O ATOM 42941 C1* C B2047 -846.167 -51.440 82.732 1.00855.43 C ATOM 42942 N1 C B2047 -847.449 -51.035 83.322 1.00855.43 N ATOM 42943 C2 C B2047 -848.606 -51.778 83.059 1.00855.43 C ATOM 42944 O2 C B2047 -848.536 -52.751 82.292 1.00855.43 O ATOM 42945 N3 C B2047 -849.770 -51.412 83.644 1.00855.43 N ATOM 42946 C4 C B2047 -849.805 -50.346 84.450 1.00855.43 C ATOM 42947 N4 C B2047 -850.969 -50.026 85.015 1.00855.43 N ATOM 42948 C5 C B2047 -848.648 -49.563 84.715 1.00855.43 C ATOM 42949 C6 C B2047 -847.505 -49.940 84.138 1.00855.43 C ATOM 42950 P C B2048 -844.018 -47.497 80.754 1.00855.43 P ATOM 42951 O1P C B2048 -842.745 -47.128 80.085 1.00855.43 O ATOM 42952 O2P C B2048 -844.491 -46.706 81.919 1.00855.43 O ATOM 42953 O5* C B2048 -845.171 -47.512 79.664 1.00855.43 O ATOM 42954 C5* C B2048 -844.940 -48.059 78.372 1.00855.43 C ATOM 42955 C4* C B2048 -846.242 -48.197 77.630 1.00855.43 C ATOM 42956 O4* C B2048 -847.123 -49.098 78.353 1.00855.43 O ATOM 42957 C3* C B2048 -847.059 -46.943 77.465 1.00855.43 C ATOM 42958 O3* C B2048 -846.559 -46.194 76.372 1.00855.43 O ATOM 42959 C2* C B2048 -848.462 -47.478 77.244 1.00855.43 C ATOM 42960 O2* C B2048 -848.689 -47.882 75.907 1.00855.43 O ATOM 42961 C1* C B2048 -848.474 -48.700 78.165 1.00855.43 C ATOM 42962 N1 C B2048 -849.029 -48.357 79.486 1.00855.43 N ATOM 42963 C2 C B2048 -850.414 -48.361 79.660 1.00855.43 C ATOM 42964 O2 C B2048 -851.140 -48.687 78.710 1.00855.43 O ATOM 42965 N3 C B2048 -850.929 -48.015 80.864 1.00855.43 N ATOM 42966 C4 C B2048 -850.115 -47.671 81.864 1.00855.43 C ATOM 42967 N4 C B2048 -850.665 -47.323 83.028 1.00855.43 N ATOM 42968 C5 C B2048 -848.698 -47.671 81.717 1.00855.43 C ATOM 42969 C6 C B2048 -848.203 -48.019 80.523 1.00855.43 C ATOM 42970 P C B2049 -846.800 -44.605 76.339 1.00855.43 P ATOM 42971 O1P C B2049 -845.995 -44.040 75.227 1.00855.43 O ATOM 42972 O2P C B2049 -846.611 -44.086 77.718 1.00855.43 O ATOM 42973 O5* C B2049 -848.341 -44.476 75.967 1.00855.43 O ATOM 42974 C5* C B2049 -848.822 -44.952 74.714 1.00855.43 C ATOM 42975 C4* C B2049 -850.319 -45.138 74.754 1.00855.43 C ATOM 42976 O4* C B2049 -850.668 -46.069 75.815 1.00855.43 O ATOM 42977 C3* C B2049 -851.101 -43.888 75.079 1.00855.43 C ATOM 42978 O3* C B2049 -851.333 -43.110 73.917 1.00855.43 O ATOM 42979 C2* C B2049 -852.394 -44.437 75.669 1.00855.43 C ATOM 42980 O2* C B2049 -853.315 -44.832 74.672 1.00855.43 O ATOM 42981 C1* C B2049 -851.886 -45.674 76.418 1.00855.43 C ATOM 42982 N1 C B2049 -851.625 -45.369 77.833 1.00855.43 N ATOM 42983 C2 C B2049 -852.633 -45.603 78.773 1.00855.43 C ATOM 42984 O2 C B2049 -853.710 -46.088 78.390 1.00855.43 O ATOM 42985 N3 C B2049 -852.411 -45.295 80.069 1.00855.43 N ATOM 42986 C4 C B2049 -851.239 -44.776 80.439 1.00855.43 C ATOM 42987 N4 C B2049 -851.070 -44.475 81.730 1.00855.43 N ATOM 42988 C5 C B2049 -850.190 -44.540 79.508 1.00855.43 C ATOM 42989 C6 C B2049 -850.422 -44.850 78.226 1.00855.43 C ATOM 42990 P G B2050 -851.462 -41.514 74.049 1.00855.43 P ATOM 42991 O1P G B2050 -852.352 -41.042 72.959 1.00855.43 O ATOM 42992 O2P G B2050 -850.093 -40.953 74.171 1.00855.43 O ATOM 42993 O5* G B2050 -852.209 -41.302 75.439 1.00855.43 O ATOM 42994 C5* G B2050 -853.632 -41.354 75.524 1.00855.43 C ATOM 42995 C4* G B2050 -854.113 -40.512 76.684 1.00855.43 C ATOM 42996 O4* G B2050 -853.910 -41.217 77.932 1.00855.43 O ATOM 42997 C3* G B2050 -853.388 -39.186 76.927 1.00855.43 C ATOM 42998 O3* G B2050 -853.956 -38.170 76.103 1.00855.43 O ATOM 42999 C2* G B2050 -853.589 -38.892 78.414 1.00855.43 C ATOM 43000 O2* G B2050 -854.718 -38.077 78.654 1.00855.43 O ATOM 43001 C1* G B2050 -853.848 -40.286 78.995 1.00855.43 C ATOM 43002 N9 G B2050 -852.889 -40.776 79.981 1.00855.43 N ATOM 43003 C8 G B2050 -851.618 -41.240 79.741 1.00855.43 C ATOM 43004 N7 G B2050 -851.015 -41.663 80.817 1.00855.43 N ATOM 43005 C5 G B2050 -851.937 -41.458 81.836 1.00855.43 C ATOM 43006 C6 G B2050 -851.850 -41.735 83.230 1.00855.43 C ATOM 43007 O6 G B2050 -850.913 -42.242 83.859 1.00855.43 O ATOM 43008 N1 G B2050 -853.009 -41.361 83.898 1.00855.43 N ATOM 43009 C2 G B2050 -854.113 -40.796 83.312 1.00855.43 C ATOM 43010 N2 G B2050 -855.128 -40.502 84.141 1.00855.43 N ATOM 43011 N3 G B2050 -854.213 -40.544 82.015 1.00855.43 N ATOM 43012 C4 G B2050 -853.095 -40.896 81.342 1.00855.43 C ATOM 43013 P U B2051 -853.597 -38.109 74.537 1.00855.43 P ATOM 43014 O1P U B2051 -854.592 -38.958 73.832 1.00855.43 O ATOM 43015 O2P U B2051 -852.148 -38.378 74.366 1.00855.43 O ATOM 43016 O5* U B2051 -853.879 -36.595 74.137 1.00855.43 O ATOM 43017 C5* U B2051 -854.200 -35.629 75.131 1.00855.43 C ATOM 43018 C4* U B2051 -852.984 -34.808 75.469 1.00855.43 C ATOM 43019 O4* U B2051 -852.511 -34.139 74.275 1.00855.43 O ATOM 43020 C3* U B2051 -853.194 -33.680 76.458 1.00855.43 C ATOM 43021 O3* U B2051 -853.119 -34.172 77.786 1.00855.43 O ATOM 43022 C2* U B2051 -852.052 -32.720 76.137 1.00855.43 C ATOM 43023 O2* U B2051 -850.852 -33.073 76.793 1.00855.43 O ATOM 43024 C1* U B2051 -851.887 -32.916 74.630 1.00855.43 C ATOM 43025 N1 U B2051 -852.498 -31.848 73.824 1.00855.43 N ATOM 43026 C2 U B2051 -851.701 -31.204 72.899 1.00855.43 C ATOM 43027 O2 U B2051 -850.523 -31.472 72.736 1.00855.43 O ATOM 43028 N3 U B2051 -852.337 -30.226 72.173 1.00855.43 N ATOM 43029 C4 U B2051 -853.657 -29.840 72.273 1.00855.43 C ATOM 43030 O4 U B2051 -854.090 -28.956 71.529 1.00855.43 O ATOM 43031 C5 U B2051 -854.411 -30.549 73.259 1.00855.43 C ATOM 43032 C6 U B2051 -853.820 -31.507 73.982 1.00855.43 C ATOM 43033 P G B2052 -854.209 -33.712 78.871 1.00855.43 P ATOM 43034 O1P G B2052 -855.308 -34.716 78.876 1.00855.43 O ATOM 43035 O2P G B2052 -854.533 -32.281 78.629 1.00855.43 O ATOM 43036 O5* G B2052 -853.430 -33.817 80.253 1.00855.43 O ATOM 43037 C5* G B2052 -853.170 -35.085 80.861 1.00855.43 C ATOM 43038 C4* G B2052 -853.662 -35.069 82.288 1.00855.43 C ATOM 43039 O4* G B2052 -853.969 -36.410 82.751 1.00855.43 O ATOM 43040 C3* G B2052 -852.729 -34.510 83.341 1.00855.43 C ATOM 43041 O3* G B2052 -852.711 -33.090 83.356 1.00855.43 O ATOM 43042 C2* G B2052 -853.292 -35.107 84.625 1.00855.43 C ATOM 43043 O2* G B2052 -854.396 -34.380 85.124 1.00855.43 O ATOM 43044 C1* G B2052 -853.752 -36.484 84.151 1.00855.43 C ATOM 43045 N9 G B2052 -852.740 -37.499 84.428 1.00855.43 N ATOM 43046 C8 G B2052 -851.815 -38.027 83.560 1.00855.43 C ATOM 43047 N7 G B2052 -851.027 -38.906 84.123 1.00855.43 N ATOM 43048 C5 G B2052 -851.460 -38.963 85.440 1.00855.43 C ATOM 43049 C6 G B2052 -850.989 -39.741 86.537 1.00855.43 C ATOM 43050 O6 G B2052 -850.065 -40.564 86.564 1.00855.43 O ATOM 43051 N1 G B2052 -851.716 -39.482 87.694 1.00855.43 N ATOM 43052 C2 G B2052 -852.761 -38.599 87.791 1.00855.43 C ATOM 43053 N2 G B2052 -853.338 -38.493 88.998 1.00855.43 N ATOM 43054 N3 G B2052 -853.211 -37.872 86.781 1.00855.43 N ATOM 43055 C4 G B2052 -852.518 -38.103 85.645 1.00855.43 C ATOM 43056 P G B2053 -851.493 -32.330 84.074 1.00855.43 P ATOM 43057 O1P G B2053 -851.727 -30.872 83.939 1.00855.43 O ATOM 43058 O2P G B2053 -850.218 -32.919 83.587 1.00855.43 O ATOM 43059 O5* G B2053 -851.674 -32.728 85.605 1.00855.43 O ATOM 43060 C5* G B2053 -852.742 -32.175 86.364 1.00855.43 C ATOM 43061 C4* G B2053 -852.649 -32.601 87.808 1.00855.43 C ATOM 43062 O4* G B2053 -852.773 -34.037 87.947 1.00855.43 O ATOM 43063 C3* G B2053 -851.341 -32.227 88.499 1.00855.43 C ATOM 43064 O3* G B2053 -851.315 -30.887 88.966 1.00855.43 O ATOM 43065 C2* G B2053 -851.283 -33.244 89.637 1.00855.43 C ATOM 43066 O2* G B2053 -852.045 -32.841 90.758 1.00855.43 O ATOM 43067 C1* G B2053 -851.936 -34.475 89.004 1.00855.43 C ATOM 43068 N9 G B2053 -850.988 -35.462 88.494 1.00855.43 N ATOM 43069 C8 G B2053 -850.581 -35.648 87.195 1.00855.43 C ATOM 43070 N7 G B2053 -849.730 -36.631 87.058 1.00855.43 N ATOM 43071 C5 G B2053 -849.561 -37.123 88.347 1.00855.43 C ATOM 43072 C6 G B2053 -848.757 -38.195 88.828 1.00855.43 C ATOM 43073 O6 G B2053 -848.013 -38.953 88.194 1.00855.43 O ATOM 43074 N1 G B2053 -848.881 -38.345 90.207 1.00855.43 N ATOM 43075 C2 G B2053 -849.674 -37.569 91.017 1.00855.43 C ATOM 43076 N2 G B2053 -849.654 -37.868 92.324 1.00855.43 N ATOM 43077 N3 G B2053 -850.430 -36.575 90.581 1.00855.43 N ATOM 43078 C4 G B2053 -850.325 -36.410 89.245 1.00855.43 C ATOM 43079 P A B2054 -849.904 -30.165 89.215 1.00855.43 P ATOM 43080 O1P A B2054 -850.184 -28.750 89.572 1.00855.43 O ATOM 43081 O2P A B2054 -849.010 -30.469 88.069 1.00855.43 O ATOM 43082 O5* A B2054 -849.338 -30.902 90.503 1.00855.43 O ATOM 43083 C5* A B2054 -850.028 -30.824 91.746 1.00855.43 C ATOM 43084 C4* A B2054 -849.491 -31.847 92.713 1.00855.43 C ATOM 43085 O4* A B2054 -849.635 -33.179 92.159 1.00855.43 O ATOM 43086 C3* A B2054 -848.021 -31.744 93.057 1.00855.43 C ATOM 43087 O3* A B2054 -847.844 -30.777 94.083 1.00855.43 O ATOM 43088 C2* A B2054 -847.676 -33.155 93.514 1.00855.43 C ATOM 43089 O2* A B2054 -848.006 -33.385 94.872 1.00855.43 O ATOM 43090 C1* A B2054 -848.579 -34.004 92.620 1.00855.43 C ATOM 43091 N9 A B2054 -847.885 -34.551 91.459 1.00855.43 N ATOM 43092 C8 A B2054 -847.977 -34.136 90.151 1.00855.43 C ATOM 43093 N7 A B2054 -847.245 -34.834 89.323 1.00855.43 N ATOM 43094 C5 A B2054 -846.615 -35.764 90.136 1.00855.43 C ATOM 43095 C6 A B2054 -845.708 -36.799 89.861 1.00855.43 C ATOM 43096 N6 A B2054 -845.266 -37.082 88.635 1.00855.43 N ATOM 43097 N1 A B2054 -845.271 -37.546 90.896 1.00855.43 N ATOM 43098 C2 A B2054 -845.726 -37.263 92.125 1.00855.43 C ATOM 43099 N3 A B2054 -846.584 -36.319 92.510 1.00855.43 N ATOM 43100 C4 A B2054 -846.996 -35.597 91.455 1.00855.43 C ATOM 43101 P G B2055 -846.541 -29.840 94.069 1.00855.43 P ATOM 43102 O1P G B2055 -846.692 -28.863 95.172 1.00855.43 O ATOM 43103 O2P G B2055 -846.316 -29.357 92.683 1.00855.43 O ATOM 43104 O5* G B2055 -845.359 -30.834 94.454 1.00855.43 O ATOM 43105 C5* G B2055 -845.333 -31.472 95.723 1.00855.43 C ATOM 43106 C4* G B2055 -844.399 -32.654 95.689 1.00855.43 C ATOM 43107 O4* G B2055 -844.837 -33.605 94.685 1.00855.43 O ATOM 43108 C3* G B2055 -842.925 -32.445 95.347 1.00855.43 C ATOM 43109 O3* G B2055 -842.182 -31.924 96.440 1.00855.43 O ATOM 43110 C2* G B2055 -842.480 -33.845 94.934 1.00855.43 C ATOM 43111 O2* G B2055 -842.145 -34.659 96.041 1.00855.43 O ATOM 43112 C1* G B2055 -843.738 -34.393 94.265 1.00855.43 C ATOM 43113 N9 G B2055 -843.677 -34.352 92.807 1.00855.43 N ATOM 43114 C8 G B2055 -844.398 -33.539 91.966 1.00855.43 C ATOM 43115 N7 G B2055 -844.128 -33.736 90.704 1.00855.43 N ATOM 43116 C5 G B2055 -843.171 -34.742 90.712 1.00855.43 C ATOM 43117 C6 G B2055 -842.501 -35.377 89.636 1.00855.43 C ATOM 43118 O6 G B2055 -842.620 -35.172 88.422 1.00855.43 O ATOM 43119 N1 G B2055 -841.608 -36.344 90.090 1.00855.43 N ATOM 43120 C2 G B2055 -841.392 -36.658 91.410 1.00855.43 C ATOM 43121 N2 G B2055 -840.486 -37.621 91.645 1.00855.43 N ATOM 43122 N3 G B2055 -842.012 -36.075 92.421 1.00855.43 N ATOM 43123 C4 G B2055 -842.883 -35.132 92.002 1.00855.43 C ATOM 43124 P C B2056 -841.285 -30.606 96.233 1.00855.43 P ATOM 43125 O1P C B2056 -840.971 -30.060 97.577 1.00855.43 O ATOM 43126 O2P C B2056 -841.944 -29.741 95.223 1.00855.43 O ATOM 43127 O5* C B2056 -839.937 -31.172 95.602 1.00855.43 O ATOM 43128 C5* C B2056 -839.005 -31.878 96.415 1.00855.43 C ATOM 43129 C4* C B2056 -837.888 -32.436 95.569 1.00855.43 C ATOM 43130 O4* C B2056 -838.422 -33.318 94.549 1.00855.43 O ATOM 43131 C3* C B2056 -837.000 -31.479 94.791 1.00855.43 C ATOM 43132 O3* C B2056 -836.028 -30.874 95.628 1.00855.43 O ATOM 43133 C2* C B2056 -836.385 -32.390 93.736 1.00855.43 C ATOM 43134 O2* C B2056 -835.277 -33.119 94.222 1.00855.43 O ATOM 43135 C1* C B2056 -837.541 -33.346 93.439 1.00855.43 C ATOM 43136 N1 C B2056 -838.277 -32.946 92.233 1.00855.43 N ATOM 43137 C2 C B2056 -837.701 -33.206 90.994 1.00855.43 C ATOM 43138 O2 C B2056 -836.620 -33.811 90.956 1.00855.43 O ATOM 43139 N3 C B2056 -838.336 -32.803 89.869 1.00855.43 N ATOM 43140 C4 C B2056 -839.507 -32.167 89.955 1.00855.43 C ATOM 43141 N4 C B2056 -840.089 -31.774 88.819 1.00855.43 N ATOM 43142 C5 C B2056 -840.130 -31.909 91.209 1.00855.43 C ATOM 43143 C6 C B2056 -839.486 -32.313 92.313 1.00855.43 C ATOM 43144 P U B2057 -835.328 -29.507 95.157 1.00855.43 P ATOM 43145 O1P U B2057 -834.486 -29.024 96.282 1.00855.43 O ATOM 43146 O2P U B2057 -836.377 -28.620 94.590 1.00855.43 O ATOM 43147 O5* U B2057 -834.370 -29.971 93.976 1.00855.43 O ATOM 43148 C5* U B2057 -833.269 -30.830 94.243 1.00855.43 C ATOM 43149 C4* U B2057 -832.761 -31.451 92.966 1.00855.43 C ATOM 43150 O4* U B2057 -833.844 -32.121 92.268 1.00855.43 O ATOM 43151 C3* U B2057 -832.141 -30.503 91.944 1.00855.43 C ATOM 43152 O3* U B2057 -830.771 -30.247 92.231 1.00855.43 O ATOM 43153 C2* U B2057 -832.321 -31.275 90.640 1.00855.43 C ATOM 43154 O2* U B2057 -831.307 -32.237 90.432 1.00855.43 O ATOM 43155 C1* U B2057 -833.653 -31.990 90.870 1.00855.43 C ATOM 43156 N1 U B2057 -834.806 -31.283 90.291 1.00855.43 N ATOM 43157 C2 U B2057 -835.134 -31.584 88.984 1.00855.43 C ATOM 43158 O2 U B2057 -834.506 -32.391 88.317 1.00855.43 O ATOM 43159 N3 U B2057 -836.216 -30.908 88.483 1.00855.43 N ATOM 43160 C4 U B2057 -836.993 -29.978 89.141 1.00855.43 C ATOM 43161 O4 U B2057 -837.941 -29.458 88.550 1.00855.43 O ATOM 43162 C5 U B2057 -836.592 -29.719 90.493 1.00855.43 C ATOM 43163 C6 U B2057 -835.536 -30.365 91.009 1.00855.43 C ATOM 43164 P U B2058 -830.021 -29.022 91.505 1.00855.43 P ATOM 43165 O1P U B2058 -828.595 -29.076 91.915 1.00855.43 O ATOM 43166 O2P U B2058 -830.806 -27.786 91.746 1.00855.43 O ATOM 43167 O5* U B2058 -830.107 -29.381 89.957 1.00855.43 O ATOM 43168 C5* U B2058 -829.112 -30.191 89.338 1.00855.43 C ATOM 43169 C4* U B2058 -829.109 -29.970 87.846 1.00855.43 C ATOM 43170 O4* U B2058 -830.374 -30.421 87.306 1.00855.43 O ATOM 43171 C3* U B2058 -828.985 -28.503 87.427 1.00855.43 C ATOM 43172 O3* U B2058 -827.640 -28.063 87.284 1.00855.43 O ATOM 43173 C2* U B2058 -829.709 -28.476 86.084 1.00855.43 C ATOM 43174 O2* U B2058 -828.871 -28.860 85.011 1.00855.43 O ATOM 43175 C1* U B2058 -830.788 -29.544 86.275 1.00855.43 C ATOM 43176 N1 U B2058 -832.128 -29.037 86.600 1.00855.43 N ATOM 43177 C2 U B2058 -832.901 -28.567 85.558 1.00855.43 C ATOM 43178 O2 U B2058 -832.495 -28.518 84.410 1.00855.43 O ATOM 43179 N3 U B2058 -834.162 -28.154 85.910 1.00855.43 N ATOM 43180 C4 U B2058 -834.713 -28.158 87.174 1.00855.43 C ATOM 43181 O4 U B2058 -835.874 -27.776 87.327 1.00855.43 O ATOM 43182 C5 U B2058 -833.842 -28.634 88.202 1.00855.43 C ATOM 43183 C6 U B2058 -832.609 -29.045 87.891 1.00855.43 C ATOM 43184 P U B2059 -827.296 -26.495 87.354 1.00855.43 P ATOM 43185 O1P U B2059 -826.041 -26.287 86.590 1.00855.43 O ATOM 43186 O2P U B2059 -827.367 -26.064 88.774 1.00855.43 O ATOM 43187 O5* U B2059 -828.476 -25.791 86.551 1.00855.43 O ATOM 43188 C5* U B2059 -828.704 -24.391 86.689 1.00855.43 C ATOM 43189 C4* U B2059 -828.780 -23.721 85.336 1.00855.43 C ATOM 43190 O4* U B2059 -827.483 -23.746 84.685 1.00855.43 O ATOM 43191 C3* U B2059 -829.759 -24.365 84.346 1.00855.43 C ATOM 43192 O3* U B2059 -831.080 -23.861 84.529 1.00855.43 O ATOM 43193 C2* U B2059 -829.162 -23.957 82.999 1.00855.43 C ATOM 43194 O2* U B2059 -829.553 -22.658 82.600 1.00855.43 O ATOM 43195 C1* U B2059 -827.661 -23.959 83.298 1.00855.43 C ATOM 43196 N1 U B2059 -826.965 -25.195 82.901 1.00855.43 N ATOM 43197 C2 U B2059 -826.314 -25.194 81.680 1.00855.43 C ATOM 43198 O2 U B2059 -826.314 -24.230 80.933 1.00855.43 O ATOM 43199 N3 U B2059 -825.667 -26.361 81.367 1.00855.43 N ATOM 43200 C4 U B2059 -825.605 -27.510 82.129 1.00855.43 C ATOM 43201 O4 U B2059 -824.961 -28.476 81.718 1.00855.43 O ATOM 43202 C5 U B2059 -826.309 -27.434 83.373 1.00855.43 C ATOM 43203 C6 U B2059 -826.949 -26.307 83.709 1.00855.43 C ATOM 43204 P A B2060 -832.245 -24.237 83.481 1.00855.43 P ATOM 43205 O1P A B2060 -832.087 -23.338 82.312 1.00855.43 O ATOM 43206 O2P A B2060 -833.532 -24.255 84.222 1.00855.43 O ATOM 43207 O5* A B2060 -831.927 -25.726 83.009 1.00855.43 O ATOM 43208 C5* A B2060 -831.390 -25.987 81.713 1.00855.43 C ATOM 43209 C4* A B2060 -832.497 -26.297 80.734 1.00855.43 C ATOM 43210 O4* A B2060 -833.266 -27.433 81.208 1.00855.43 O ATOM 43211 C3* A B2060 -833.540 -25.233 80.455 1.00855.43 C ATOM 43212 O3* A B2060 -833.061 -24.278 79.515 1.00855.43 O ATOM 43213 C2* A B2060 -834.712 -26.047 79.918 1.00855.43 C ATOM 43214 O2* A B2060 -834.579 -26.348 78.545 1.00855.43 O ATOM 43215 C1* A B2060 -834.600 -27.330 80.741 1.00855.43 C ATOM 43216 N9 A B2060 -835.480 -27.303 81.904 1.00855.43 N ATOM 43217 C8 A B2060 -835.115 -27.322 83.228 1.00855.43 C ATOM 43218 N7 A B2060 -836.130 -27.252 84.058 1.00855.43 N ATOM 43219 C5 A B2060 -837.233 -27.189 83.223 1.00855.43 C ATOM 43220 C6 A B2060 -838.609 -27.092 83.484 1.00855.43 C ATOM 43221 N6 A B2060 -839.117 -27.037 84.717 1.00855.43 N ATOM 43222 N1 A B2060 -839.450 -27.050 82.429 1.00855.43 N ATOM 43223 C2 A B2060 -838.930 -27.099 81.197 1.00855.43 C ATOM 43224 N3 A B2060 -837.658 -27.183 80.820 1.00855.43 N ATOM 43225 C4 A B2060 -836.851 -27.227 81.895 1.00855.43 C ATOM 43226 P C B2061 -833.666 -22.790 79.522 1.00855.43 P ATOM 43227 O1P C B2061 -832.625 -21.877 78.985 1.00855.43 O ATOM 43228 O2P C B2061 -834.254 -22.523 80.861 1.00855.43 O ATOM 43229 O5* C B2061 -834.864 -22.855 78.476 1.00855.43 O ATOM 43230 C5* C B2061 -834.885 -22.018 77.325 1.00855.43 C ATOM 43231 C4* C B2061 -836.169 -21.232 77.285 1.00855.43 C ATOM 43232 O4* C B2061 -837.282 -22.133 77.533 1.00855.43 O ATOM 43233 C3* C B2061 -836.312 -20.155 78.338 1.00855.43 C ATOM 43234 O3* C B2061 -835.705 -18.956 77.872 1.00855.43 O ATOM 43235 C2* C B2061 -837.819 -20.026 78.502 1.00855.43 C ATOM 43236 O2* C B2061 -838.407 -19.199 77.520 1.00855.43 O ATOM 43237 C1* C B2061 -838.274 -21.473 78.297 1.00855.43 C ATOM 43238 N1 C B2061 -838.413 -22.189 79.578 1.00855.43 N ATOM 43239 C2 C B2061 -839.642 -22.155 80.246 1.00855.43 C ATOM 43240 O2 C B2061 -840.584 -21.527 79.740 1.00855.43 O ATOM 43241 N3 C B2061 -839.768 -22.807 81.426 1.00855.43 N ATOM 43242 C4 C B2061 -838.727 -23.466 81.936 1.00855.43 C ATOM 43243 N4 C B2061 -838.897 -24.091 83.109 1.00855.43 N ATOM 43244 C5 C B2061 -837.468 -23.518 81.275 1.00855.43 C ATOM 43245 C6 C B2061 -837.356 -22.871 80.110 1.00855.43 C ATOM 43246 P U B2062 -834.749 -18.123 78.857 1.00855.43 P ATOM 43247 O1P U B2062 -834.145 -17.021 78.065 1.00855.43 O ATOM 43248 O2P U B2062 -833.870 -19.077 79.578 1.00855.43 O ATOM 43249 O5* U B2062 -835.762 -17.484 79.904 1.00855.43 O ATOM 43250 C5* U B2062 -836.842 -16.677 79.458 1.00855.43 C ATOM 43251 C4* U B2062 -837.993 -16.734 80.434 1.00855.43 C ATOM 43252 O4* U B2062 -838.339 -18.104 80.756 1.00855.43 O ATOM 43253 C3* U B2062 -837.782 -16.089 81.781 1.00855.43 C ATOM 43254 O3* U B2062 -837.926 -14.684 81.717 1.00855.43 O ATOM 43255 C2* U B2062 -838.857 -16.740 82.644 1.00855.43 C ATOM 43256 O2* U B2062 -840.113 -16.099 82.518 1.00855.43 O ATOM 43257 C1* U B2062 -838.945 -18.141 82.037 1.00855.43 C ATOM 43258 N1 U B2062 -838.267 -19.142 82.870 1.00855.43 N ATOM 43259 C2 U B2062 -839.034 -20.185 83.349 1.00855.43 C ATOM 43260 O2 U B2062 -840.220 -20.308 83.082 1.00855.43 O ATOM 43261 N3 U B2062 -838.371 -21.081 84.148 1.00855.43 N ATOM 43262 C4 U B2062 -837.041 -21.040 84.510 1.00855.43 C ATOM 43263 O4 U B2062 -836.588 -21.921 85.243 1.00855.43 O ATOM 43264 C5 U B2062 -836.308 -19.934 83.967 1.00855.43 C ATOM 43265 C6 U B2062 -836.930 -19.047 83.182 1.00855.43 C ATOM 43266 P A B2063 -837.592 -13.788 83.004 1.00855.43 P ATOM 43267 O1P A B2063 -836.838 -12.592 82.553 1.00855.43 O ATOM 43268 O2P A B2063 -837.016 -14.667 84.052 1.00855.43 O ATOM 43269 O5* A B2063 -839.029 -13.304 83.486 1.00855.43 O ATOM 43270 C5* A B2063 -839.174 -12.535 84.664 1.00855.43 C ATOM 43271 C4* A B2063 -840.306 -13.068 85.501 1.00855.43 C ATOM 43272 O4* A B2063 -840.538 -14.468 85.205 1.00855.43 O ATOM 43273 C3* A B2063 -840.051 -13.032 86.988 1.00855.43 C ATOM 43274 O3* A B2063 -840.311 -11.747 87.517 1.00855.43 O ATOM 43275 C2* A B2063 -840.967 -14.124 87.523 1.00855.43 C ATOM 43276 O2* A B2063 -842.301 -13.686 87.686 1.00855.43 O ATOM 43277 C1* A B2063 -840.894 -15.153 86.391 1.00855.43 C ATOM 43278 N9 A B2063 -839.876 -16.177 86.618 1.00855.43 N ATOM 43279 C8 A B2063 -838.729 -16.354 85.888 1.00855.43 C ATOM 43280 N7 A B2063 -837.990 -17.356 86.297 1.00855.43 N ATOM 43281 C5 A B2063 -838.697 -17.873 87.372 1.00855.43 C ATOM 43282 C6 A B2063 -838.442 -18.948 88.234 1.00855.43 C ATOM 43283 N6 A B2063 -837.368 -19.730 88.137 1.00855.43 N ATOM 43284 N1 A B2063 -839.343 -19.196 89.211 1.00855.43 N ATOM 43285 C2 A B2063 -840.425 -18.411 89.298 1.00855.43 C ATOM 43286 N3 A B2063 -840.779 -17.371 88.541 1.00855.43 N ATOM 43287 C4 A B2063 -839.862 -17.153 87.584 1.00855.43 C ATOM 43288 P U B2064 -839.110 -10.705 87.661 1.00855.43 P ATOM 43289 O1P U B2064 -839.615 -9.427 87.106 1.00855.43 O ATOM 43290 O2P U B2064 -837.889 -11.314 87.080 1.00855.43 O ATOM 43291 O5* U B2064 -838.913 -10.597 89.238 1.00855.43 O ATOM 43292 C5* U B2064 -840.040 -10.570 90.106 1.00855.43 C ATOM 43293 C4* U B2064 -839.950 -11.669 91.141 1.00855.43 C ATOM 43294 O4* U B2064 -840.097 -12.967 90.517 1.00855.43 O ATOM 43295 C3* U B2064 -838.606 -11.712 91.849 1.00855.43 C ATOM 43296 O3* U B2064 -838.543 -10.826 92.961 1.00855.43 O ATOM 43297 C2* U B2064 -838.505 -13.173 92.282 1.00855.43 C ATOM 43298 O2* U B2064 -839.189 -13.430 93.492 1.00855.43 O ATOM 43299 C1* U B2064 -839.220 -13.894 91.137 1.00855.43 C ATOM 43300 N1 U B2064 -838.289 -14.418 90.130 1.00855.43 N ATOM 43301 C2 U B2064 -838.005 -15.777 90.161 1.00855.43 C ATOM 43302 O2 U B2064 -838.498 -16.538 90.978 1.00855.43 O ATOM 43303 N3 U B2064 -837.120 -16.207 89.206 1.00855.43 N ATOM 43304 C4 U B2064 -836.508 -15.437 88.236 1.00855.43 C ATOM 43305 O4 U B2064 -835.728 -15.967 87.442 1.00855.43 O ATOM 43306 C5 U B2064 -836.855 -14.047 88.265 1.00855.43 C ATOM 43307 C6 U B2064 -837.713 -13.597 89.187 1.00855.43 C ATOM 43308 P A B2065 -837.429 -9.671 92.994 1.00855.43 P ATOM 43309 O1P A B2065 -837.972 -8.512 92.239 1.00855.43 O ATOM 43310 O2P A B2065 -836.129 -10.265 92.590 1.00855.43 O ATOM 43311 O5* A B2065 -837.343 -9.269 94.532 1.00855.43 O ATOM 43312 C5* A B2065 -838.518 -8.939 95.266 1.00855.43 C ATOM 43313 C4* A B2065 -838.640 -9.821 96.486 1.00855.43 C ATOM 43314 O4* A B2065 -838.761 -11.208 96.085 1.00855.43 O ATOM 43315 C3* A B2065 -837.439 -9.775 97.425 1.00855.43 C ATOM 43316 O3* A B2065 -837.547 -8.706 98.358 1.00855.43 O ATOM 43317 C2* A B2065 -837.487 -11.139 98.100 1.00855.43 C ATOM 43318 O2* A B2065 -838.376 -11.170 99.200 1.00855.43 O ATOM 43319 C1* A B2065 -838.036 -12.030 96.981 1.00855.43 C ATOM 43320 N9 A B2065 -837.004 -12.735 96.220 1.00855.43 N ATOM 43321 C8 A B2065 -836.610 -12.490 94.930 1.00855.43 C ATOM 43322 N7 A B2065 -835.669 -13.292 94.503 1.00855.43 N ATOM 43323 C5 A B2065 -835.418 -14.119 95.588 1.00855.43 C ATOM 43324 C6 A B2065 -834.520 -15.184 95.776 1.00855.43 C ATOM 43325 N6 A B2065 -833.677 -15.615 94.828 1.00855.43 N ATOM 43326 N1 A B2065 -834.519 -15.800 96.977 1.00855.43 N ATOM 43327 C2 A B2065 -835.367 -15.366 97.919 1.00855.43 C ATOM 43328 N3 A B2065 -836.255 -14.377 97.864 1.00855.43 N ATOM 43329 C4 A B2065 -836.230 -13.786 96.654 1.00855.43 C ATOM 43330 P G B2066 -836.354 -7.638 98.486 1.00855.43 P ATOM 43331 O1P G B2066 -836.637 -6.803 99.683 1.00855.43 O ATOM 43332 O2P G B2066 -836.161 -6.986 97.168 1.00855.43 O ATOM 43333 O5* G B2066 -835.076 -8.530 98.799 1.00855.43 O ATOM 43334 C5* G B2066 -835.052 -9.406 99.923 1.00855.43 C ATOM 43335 C4* G B2066 -834.087 -10.542 99.678 1.00855.43 C ATOM 43336 O4* G B2066 -834.548 -11.355 98.570 1.00855.43 O ATOM 43337 C3* G B2066 -832.715 -10.072 99.272 1.00855.43 C ATOM 43338 O3* G B2066 -831.952 -9.816 100.442 1.00855.43 O ATOM 43339 C2* G B2066 -832.173 -11.235 98.454 1.00855.43 C ATOM 43340 O2* G B2066 -831.609 -12.253 99.256 1.00855.43 O ATOM 43341 C1* G B2066 -833.442 -11.755 97.778 1.00855.43 C ATOM 43342 N9 G B2066 -833.618 -11.195 96.442 1.00855.43 N ATOM 43343 C8 G B2066 -834.261 -10.023 96.120 1.00855.43 C ATOM 43344 N7 G B2066 -834.246 -9.770 94.842 1.00855.43 N ATOM 43345 C5 G B2066 -833.551 -10.834 94.283 1.00855.43 C ATOM 43346 C6 G B2066 -833.215 -11.103 92.936 1.00855.43 C ATOM 43347 O6 G B2066 -833.471 -10.432 91.932 1.00855.43 O ATOM 43348 N1 G B2066 -832.509 -12.292 92.811 1.00855.43 N ATOM 43349 C2 G B2066 -832.161 -13.118 93.851 1.00855.43 C ATOM 43350 N2 G B2066 -831.474 -14.220 93.519 1.00855.43 N ATOM 43351 N3 G B2066 -832.468 -12.878 95.116 1.00855.43 N ATOM 43352 C4 G B2066 -833.161 -11.726 95.261 1.00855.43 C ATOM 43353 P U B2067 -831.280 -8.370 100.648 1.00855.43 P ATOM 43354 O1P U B2067 -830.993 -8.208 102.097 1.00855.43 O ATOM 43355 O2P U B2067 -832.125 -7.366 99.950 1.00855.43 O ATOM 43356 O5* U B2067 -829.894 -8.478 99.869 1.00855.43 O ATOM 43357 C5* U B2067 -828.946 -9.481 100.212 1.00855.43 C ATOM 43358 C4* U B2067 -828.117 -9.858 99.002 1.00855.43 C ATOM 43359 O4* U B2067 -828.969 -10.459 97.995 1.00855.43 O ATOM 43360 C3* U B2067 -827.447 -8.704 98.288 1.00855.43 C ATOM 43361 O3* U B2067 -826.205 -8.385 98.902 1.00855.43 O ATOM 43362 C2* U B2067 -827.263 -9.236 96.873 1.00855.43 C ATOM 43363 O2* U B2067 -826.112 -10.044 96.746 1.00855.43 O ATOM 43364 C1* U B2067 -828.513 -10.098 96.699 1.00855.43 C ATOM 43365 N1 U B2067 -829.594 -9.375 96.016 1.00855.43 N ATOM 43366 C2 U B2067 -829.664 -9.452 94.630 1.00855.43 C ATOM 43367 O2 U B2067 -828.879 -10.098 93.953 1.00855.43 O ATOM 43368 N3 U B2067 -830.691 -8.738 94.061 1.00855.43 N ATOM 43369 C4 U B2067 -831.635 -7.975 94.724 1.00855.43 C ATOM 43370 O4 U B2067 -832.497 -7.384 94.074 1.00855.43 O ATOM 43371 C5 U B2067 -831.497 -7.952 96.147 1.00855.43 C ATOM 43372 C6 U B2067 -830.508 -8.634 96.729 1.00855.43 C ATOM 43373 P C B2068 -825.593 -6.910 98.724 1.00855.43 P ATOM 43374 O1P C B2068 -824.384 -6.820 99.582 1.00855.43 O ATOM 43375 O2P C B2068 -826.692 -5.925 98.897 1.00855.43 O ATOM 43376 O5* C B2068 -825.129 -6.877 97.199 1.00855.43 O ATOM 43377 C5* C B2068 -823.826 -7.310 96.828 1.00855.43 C ATOM 43378 C4* C B2068 -823.512 -6.889 95.409 1.00855.43 C ATOM 43379 O4* C B2068 -824.309 -7.658 94.478 1.00855.43 O ATOM 43380 C3* C B2068 -823.800 -5.437 95.027 1.00855.43 C ATOM 43381 O3* C B2068 -822.803 -4.506 95.415 1.00855.43 O ATOM 43382 C2* C B2068 -823.923 -5.511 93.512 1.00855.43 C ATOM 43383 O2* C B2068 -822.672 -5.467 92.859 1.00855.43 O ATOM 43384 C1* C B2068 -824.559 -6.890 93.318 1.00855.43 C ATOM 43385 N1 C B2068 -826.011 -6.825 93.104 1.00855.43 N ATOM 43386 C2 C B2068 -826.516 -7.182 91.859 1.00855.43 C ATOM 43387 O2 C B2068 -825.723 -7.538 90.972 1.00855.43 O ATOM 43388 N3 C B2068 -827.851 -7.134 91.646 1.00855.43 N ATOM 43389 C4 C B2068 -828.669 -6.748 92.628 1.00855.43 C ATOM 43390 N4 C B2068 -829.980 -6.720 92.376 1.00855.43 N ATOM 43391 C5 C B2068 -828.176 -6.372 93.911 1.00855.43 C ATOM 43392 C6 C B2068 -826.854 -6.424 94.105 1.00855.43 C ATOM 43393 P U B2069 -823.184 -2.954 95.528 1.00855.43 P ATOM 43394 O1P U B2069 -821.997 -2.243 96.068 1.00855.43 O ATOM 43395 O2P U B2069 -824.487 -2.856 96.235 1.00855.43 O ATOM 43396 O5* U B2069 -823.400 -2.497 94.014 1.00855.43 O ATOM 43397 C5* U B2069 -822.289 -2.277 93.152 1.00855.43 C ATOM 43398 C4* U B2069 -822.725 -1.526 91.915 1.00855.43 C ATOM 43399 O4* U B2069 -823.559 -2.404 91.109 1.00855.43 O ATOM 43400 C3* U B2069 -823.628 -0.336 92.104 1.00855.43 C ATOM 43401 O3* U B2069 -822.868 0.807 92.463 1.00855.43 O ATOM 43402 C2* U B2069 -824.290 -0.174 90.742 1.00855.43 C ATOM 43403 O2* U B2069 -823.487 0.539 89.825 1.00855.43 O ATOM 43404 C1* U B2069 -824.430 -1.626 90.298 1.00855.43 C ATOM 43405 N1 U B2069 -825.807 -2.084 90.530 1.00855.43 N ATOM 43406 C2 U B2069 -826.691 -2.022 89.474 1.00855.43 C ATOM 43407 O2 U B2069 -826.362 -1.662 88.357 1.00855.43 O ATOM 43408 N3 U B2069 -827.976 -2.402 89.772 1.00855.43 N ATOM 43409 C4 U B2069 -828.451 -2.833 90.993 1.00855.43 C ATOM 43410 O4 U B2069 -829.651 -3.085 91.122 1.00855.43 O ATOM 43411 C5 U B2069 -827.467 -2.895 92.031 1.00855.43 C ATOM 43412 C6 U B2069 -826.209 -2.530 91.768 1.00855.43 C ATOM 43413 P G B2070 -823.624 2.100 93.043 1.00855.43 P ATOM 43414 O1P G B2070 -822.624 2.957 93.726 1.00855.43 O ATOM 43415 O2P G B2070 -824.821 1.631 93.790 1.00855.43 O ATOM 43416 O5* G B2070 -824.140 2.860 91.743 1.00855.43 O ATOM 43417 C5* G B2070 -823.224 3.444 90.822 1.00855.43 C ATOM 43418 C4* G B2070 -823.965 3.957 89.614 1.00855.43 C ATOM 43419 O4* G B2070 -824.626 2.850 88.946 1.00855.43 O ATOM 43420 C3* G B2070 -825.090 4.936 89.844 1.00855.43 C ATOM 43421 O3* G B2070 -824.561 6.241 90.056 1.00855.43 O ATOM 43422 C2* G B2070 -825.918 4.809 88.574 1.00855.43 C ATOM 43423 O2* G B2070 -825.392 5.565 87.500 1.00855.43 O ATOM 43424 C1* G B2070 -825.787 3.312 88.279 1.00855.43 C ATOM 43425 N9 G B2070 -826.919 2.554 88.803 1.00855.43 N ATOM 43426 C8 G B2070 -826.996 1.977 90.047 1.00855.43 C ATOM 43427 N7 G B2070 -828.133 1.373 90.264 1.00855.43 N ATOM 43428 C5 G B2070 -828.850 1.557 89.094 1.00855.43 C ATOM 43429 C6 G B2070 -830.155 1.128 88.739 1.00855.43 C ATOM 43430 O6 G B2070 -830.956 0.472 89.416 1.00855.43 O ATOM 43431 N1 G B2070 -830.494 1.530 87.454 1.00855.43 N ATOM 43432 C2 G B2070 -829.685 2.252 86.610 1.00855.43 C ATOM 43433 N2 G B2070 -830.190 2.540 85.402 1.00855.43 N ATOM 43434 N3 G B2070 -828.461 2.661 86.929 1.00855.43 N ATOM 43435 C4 G B2070 -828.114 2.284 88.175 1.00855.43 C ATOM 43436 P G B2071 -825.229 7.190 91.171 1.00855.43 P ATOM 43437 O1P G B2071 -824.307 8.330 91.409 1.00855.43 O ATOM 43438 O2P G B2071 -825.654 6.337 92.309 1.00855.43 O ATOM 43439 O5* G B2071 -826.536 7.745 90.452 1.00855.43 O ATOM 43440 C5* G B2071 -826.431 8.632 89.346 1.00855.43 C ATOM 43441 C4* G B2071 -827.802 8.964 88.809 1.00855.43 C ATOM 43442 O4* G B2071 -828.478 7.742 88.412 1.00855.43 O ATOM 43443 C3* G B2071 -828.745 9.629 89.785 1.00855.43 C ATOM 43444 O3* G B2071 -828.509 11.028 89.800 1.00855.43 O ATOM 43445 C2* G B2071 -830.120 9.257 89.237 1.00855.43 C ATOM 43446 O2* G B2071 -830.535 10.105 88.184 1.00855.43 O ATOM 43447 C1* G B2071 -829.863 7.851 88.692 1.00855.43 C ATOM 43448 N9 G B2071 -830.218 6.818 89.661 1.00855.43 N ATOM 43449 C8 G B2071 -829.510 6.444 90.778 1.00855.43 C ATOM 43450 N7 G B2071 -830.094 5.498 91.462 1.00855.43 N ATOM 43451 C5 G B2071 -831.255 5.230 90.752 1.00855.43 C ATOM 43452 C6 G B2071 -832.297 4.302 91.010 1.00855.43 C ATOM 43453 O6 G B2071 -832.406 3.505 91.947 1.00855.43 O ATOM 43454 N1 G B2071 -833.286 4.362 90.031 1.00855.43 N ATOM 43455 C2 G B2071 -833.278 5.207 88.947 1.00855.43 C ATOM 43456 N2 G B2071 -834.322 5.115 88.117 1.00855.43 N ATOM 43457 N3 G B2071 -832.316 6.074 88.697 1.00855.43 N ATOM 43458 C4 G B2071 -831.342 6.036 89.634 1.00855.43 C ATOM 43459 P C B2072 -827.878 11.706 91.113 1.00855.43 P ATOM 43460 O1P C B2072 -826.781 12.608 90.676 1.00855.43 O ATOM 43461 O2P C B2072 -827.595 10.631 92.098 1.00855.43 O ATOM 43462 O5* C B2072 -829.064 12.599 91.683 1.00855.43 O ATOM 43463 C5* C B2072 -829.707 13.569 90.861 1.00855.43 C ATOM 43464 C4* C B2072 -831.099 13.835 91.370 1.00855.43 C ATOM 43465 O4* C B2072 -831.819 12.575 91.463 1.00855.43 O ATOM 43466 C3* C B2072 -831.199 14.435 92.750 1.00855.43 C ATOM 43467 O3* C B2072 -831.071 15.850 92.662 1.00855.43 O ATOM 43468 C2* C B2072 -832.573 13.984 93.227 1.00855.43 C ATOM 43469 O2* C B2072 -833.617 14.810 92.749 1.00855.43 O ATOM 43470 C1* C B2072 -832.676 12.597 92.592 1.00855.43 C ATOM 43471 N1 C B2072 -832.238 11.533 93.508 1.00855.43 N ATOM 43472 C2 C B2072 -833.181 10.945 94.352 1.00855.43 C ATOM 43473 O2 C B2072 -834.361 11.321 94.287 1.00855.43 O ATOM 43474 N3 C B2072 -832.784 9.980 95.214 1.00855.43 N ATOM 43475 C4 C B2072 -831.505 9.601 95.248 1.00855.43 C ATOM 43476 N4 C B2072 -831.157 8.651 96.120 1.00855.43 N ATOM 43477 C5 C B2072 -830.526 10.181 94.394 1.00855.43 C ATOM 43478 C6 C B2072 -830.933 11.135 93.545 1.00855.43 C ATOM 43479 P A B2073 -830.756 16.694 93.989 1.00855.43 P ATOM 43480 O1P A B2073 -830.629 18.123 93.608 1.00855.43 O ATOM 43481 O2P A B2073 -829.647 16.023 94.712 1.00855.43 O ATOM 43482 O5* A B2073 -832.085 16.534 94.853 1.00855.43 O ATOM 43483 C5* A B2073 -832.045 16.605 96.268 1.00855.43 C ATOM 43484 C4* A B2073 -833.413 16.315 96.838 1.00855.43 C ATOM 43485 O4* A B2073 -833.907 15.065 96.300 1.00855.43 O ATOM 43486 C3* A B2073 -833.433 16.133 98.355 1.00855.43 C ATOM 43487 O3* A B2073 -833.496 17.354 99.075 1.00855.43 O ATOM 43488 C2* A B2073 -834.646 15.234 98.556 1.00855.43 C ATOM 43489 O2* A B2073 -835.862 15.958 98.562 1.00855.43 O ATOM 43490 C1* A B2073 -834.582 14.343 97.313 1.00855.43 C ATOM 43491 N9 A B2073 -833.840 13.106 97.522 1.00855.43 N ATOM 43492 C8 A B2073 -832.496 12.915 97.307 1.00855.43 C ATOM 43493 N7 A B2073 -832.080 11.705 97.578 1.00855.43 N ATOM 43494 C5 A B2073 -833.226 11.047 98.003 1.00855.43 C ATOM 43495 C6 A B2073 -833.448 9.733 98.435 1.00855.43 C ATOM 43496 N6 A B2073 -832.486 8.808 98.509 1.00855.43 N ATOM 43497 N1 A B2073 -834.705 9.393 98.789 1.00855.43 N ATOM 43498 C2 A B2073 -835.669 10.323 98.709 1.00855.43 C ATOM 43499 N3 A B2073 -835.582 11.592 98.316 1.00855.43 N ATOM 43500 C4 A B2073 -834.317 11.897 97.974 1.00855.43 C ATOM 43501 P U B2074 -832.544 17.568 100.353 1.00855.43 P ATOM 43502 O1P U B2074 -832.510 19.023 100.642 1.00855.43 O ATOM 43503 O2P U B2074 -831.274 16.835 100.116 1.00855.43 O ATOM 43504 O5* U B2074 -833.334 16.840 101.526 1.00855.43 O ATOM 43505 C5* U B2074 -834.074 17.598 102.473 1.00855.43 C ATOM 43506 C4* U B2074 -834.295 16.791 103.725 1.00855.43 C ATOM 43507 O4* U B2074 -835.360 15.824 103.528 1.00855.43 O ATOM 43508 C3* U B2074 -833.158 15.943 104.238 1.00855.43 C ATOM 43509 O3* U B2074 -832.183 16.703 104.909 1.00855.43 O ATOM 43510 C2* U B2074 -833.864 14.960 105.156 1.00855.43 C ATOM 43511 O2* U B2074 -834.143 15.497 106.433 1.00855.43 O ATOM 43512 C1* U B2074 -835.155 14.709 104.384 1.00855.43 C ATOM 43513 N1 U B2074 -834.974 13.510 103.561 1.00855.43 N ATOM 43514 C2 U B2074 -835.098 12.293 104.193 1.00855.43 C ATOM 43515 O2 U B2074 -835.383 12.194 105.373 1.00855.43 O ATOM 43516 N3 U B2074 -834.871 11.197 103.400 1.00855.43 N ATOM 43517 C4 U B2074 -834.537 11.198 102.065 1.00855.43 C ATOM 43518 O4 U B2074 -834.301 10.128 101.501 1.00855.43 O ATOM 43519 C5 U B2074 -834.441 12.499 101.474 1.00855.43 C ATOM 43520 C6 U B2074 -834.661 13.583 102.224 1.00855.43 C ATOM 43521 P U B2075 -830.668 16.194 104.881 1.00855.43 P ATOM 43522 O1P U B2075 -830.716 14.819 104.319 1.00855.43 O ATOM 43523 O2P U B2075 -830.049 16.442 106.199 1.00855.43 O ATOM 43524 O5* U B2075 -829.947 17.123 103.804 1.00855.43 O ATOM 43525 C5* U B2075 -828.784 17.905 104.127 1.00855.43 C ATOM 43526 C4* U B2075 -827.693 17.629 103.113 1.00855.43 C ATOM 43527 O4* U B2075 -827.534 16.189 103.016 1.00855.43 O ATOM 43528 C3* U B2075 -828.033 17.902 101.683 1.00855.43 C ATOM 43529 O3* U B2075 -827.795 19.271 101.424 1.00855.43 O ATOM 43530 C2* U B2075 -827.044 17.074 100.887 1.00855.43 C ATOM 43531 O2* U B2075 -825.803 17.724 100.699 1.00855.43 O ATOM 43532 C1* U B2075 -826.910 15.858 101.785 1.00855.43 C ATOM 43533 N1 U B2075 -827.715 14.842 101.096 1.00855.43 N ATOM 43534 C2 U B2075 -827.053 14.025 100.209 1.00855.43 C ATOM 43535 O2 U B2075 -825.846 14.063 100.058 1.00855.43 O ATOM 43536 N3 U B2075 -827.858 13.168 99.503 1.00855.43 N ATOM 43537 C4 U B2075 -829.227 13.043 99.603 1.00855.43 C ATOM 43538 O4 U B2075 -829.819 12.268 98.849 1.00855.43 O ATOM 43539 C5 U B2075 -829.835 13.899 100.573 1.00855.43 C ATOM 43540 C6 U B2075 -829.076 14.742 101.279 1.00855.43 C ATOM 43541 P C B3093 -829.453 21.265 101.319 1.00850.88 P ATOM 43542 O1P C B3093 -830.719 21.727 101.943 1.00850.88 O ATOM 43543 O2P C B3093 -829.501 20.619 99.975 1.00850.88 O ATOM 43544 O5* C B3093 -828.512 22.519 101.195 1.00850.88 O ATOM 43545 C5* C B3093 -828.701 23.522 102.160 1.00850.88 C ATOM 43546 C4* C B3093 -827.406 23.955 102.766 1.00850.88 C ATOM 43547 O4* C B3093 -826.770 22.946 103.594 1.00850.88 O ATOM 43548 C3* C B3093 -826.303 24.251 101.794 1.00850.88 C ATOM 43549 O3* C B3093 -826.583 25.453 101.119 1.00850.88 O ATOM 43550 C2* C B3093 -825.057 24.310 102.672 1.00850.88 C ATOM 43551 O2* C B3093 -824.884 25.583 103.251 1.00850.88 O ATOM 43552 C1* C B3093 -825.418 23.330 103.794 1.00850.88 C ATOM 43553 N1 C B3093 -824.532 22.154 103.760 1.00850.88 N ATOM 43554 C2 C B3093 -823.302 22.249 104.418 1.00850.88 C ATOM 43555 O2 C B3093 -823.035 23.294 105.034 1.00850.88 O ATOM 43556 N3 C B3093 -822.436 21.215 104.365 1.00850.88 N ATOM 43557 C4 C B3093 -822.761 20.108 103.701 1.00850.88 C ATOM 43558 N4 C B3093 -821.867 19.117 103.663 1.00850.88 N ATOM 43559 C5 C B3093 -824.021 19.968 103.040 1.00850.88 C ATOM 43560 C6 C B3093 -824.870 21.004 103.097 1.00850.88 C ATOM 43561 P A B3094 -825.845 25.759 99.735 1.00850.88 P ATOM 43562 O1P A B3094 -826.769 26.536 98.877 1.00850.88 O ATOM 43563 O2P A B3094 -825.249 24.494 99.229 1.00850.88 O ATOM 43564 O5* A B3094 -824.675 26.716 100.219 1.00850.88 O ATOM 43565 C5* A B3094 -824.971 28.034 100.665 1.00850.88 C ATOM 43566 C4* A B3094 -823.787 28.594 101.381 1.00850.88 C ATOM 43567 O4* A B3094 -823.379 27.711 102.452 1.00850.88 O ATOM 43568 C3* A B3094 -822.536 28.822 100.556 1.00850.88 C ATOM 43569 O3* A B3094 -822.669 30.026 99.813 1.00850.88 O ATOM 43570 C2* A B3094 -821.429 28.789 101.605 1.00850.88 C ATOM 43571 O2* A B3094 -821.267 30.031 102.260 1.00850.88 O ATOM 43572 C1* A B3094 -821.973 27.752 102.597 1.00850.88 C ATOM 43573 N9 A B3094 -821.477 26.388 102.412 1.00850.88 N ATOM 43574 C8 A B3094 -821.997 25.430 101.577 1.00850.88 C ATOM 43575 N7 A B3094 -821.385 24.276 101.648 1.00850.88 N ATOM 43576 C5 A B3094 -820.385 24.484 102.589 1.00850.88 C ATOM 43577 C6 A B3094 -819.394 23.643 103.121 1.00850.88 C ATOM 43578 N6 A B3094 -819.248 22.358 102.776 1.00850.88 N ATOM 43579 N1 A B3094 -818.549 24.165 104.035 1.00850.88 N ATOM 43580 C2 A B3094 -818.701 25.449 104.385 1.00850.88 C ATOM 43581 N3 A B3094 -819.597 26.339 103.963 1.00850.88 N ATOM 43582 C4 A B3094 -820.419 25.785 103.056 1.00850.88 C ATOM 43583 P A B3095 -821.656 30.312 98.606 1.00850.88 P ATOM 43584 O1P A B3095 -821.836 31.720 98.172 1.00850.88 O ATOM 43585 O2P A B3095 -821.767 29.212 97.616 1.00850.88 O ATOM 43586 O5* A B3095 -820.262 30.173 99.346 1.00850.88 O ATOM 43587 C5* A B3095 -819.111 29.681 98.701 1.00850.88 C ATOM 43588 C4* A B3095 -818.065 29.377 99.734 1.00850.88 C ATOM 43589 O4* A B3095 -818.543 28.317 100.595 1.00850.88 O ATOM 43590 C3* A B3095 -816.753 28.861 99.200 1.00850.88 C ATOM 43591 O3* A B3095 -815.970 29.944 98.727 1.00850.88 O ATOM 43592 C2* A B3095 -816.186 28.107 100.396 1.00850.88 C ATOM 43593 O2* A B3095 -815.558 28.955 101.336 1.00850.88 O ATOM 43594 C1* A B3095 -817.459 27.506 101.005 1.00850.88 C ATOM 43595 N9 A B3095 -817.735 26.158 100.516 1.00850.88 N ATOM 43596 C8 A B3095 -818.623 25.817 99.525 1.00850.88 C ATOM 43597 N7 A B3095 -818.661 24.535 99.265 1.00850.88 N ATOM 43598 C5 A B3095 -817.738 23.993 100.146 1.00850.88 C ATOM 43599 C6 A B3095 -817.306 22.675 100.369 1.00850.88 C ATOM 43600 N6 A B3095 -817.764 21.619 99.688 1.00850.88 N ATOM 43601 N1 A B3095 -816.375 22.471 101.326 1.00850.88 N ATOM 43602 C2 A B3095 -815.915 23.530 102.002 1.00850.88 C ATOM 43603 N3 A B3095 -816.239 24.813 101.885 1.00850.88 N ATOM 43604 C4 A B3095 -817.167 24.982 100.928 1.00850.88 C ATOM 43605 P C B3096 -815.346 29.866 97.254 1.00850.88 P ATOM 43606 O1P C B3096 -814.590 31.125 97.029 1.00850.88 O ATOM 43607 O2P C B3096 -816.433 29.483 96.316 1.00850.88 O ATOM 43608 O5* C B3096 -814.323 28.657 97.382 1.00850.88 O ATOM 43609 C5* C B3096 -813.263 28.739 98.325 1.00850.88 C ATOM 43610 C4* C B3096 -812.661 27.383 98.609 1.00850.88 C ATOM 43611 O4* C B3096 -813.666 26.412 98.999 1.00850.88 O ATOM 43612 C3* C B3096 -811.995 26.689 97.445 1.00850.88 C ATOM 43613 O3* C B3096 -810.701 27.222 97.211 1.00850.88 O ATOM 43614 C2* C B3096 -811.887 25.247 97.937 1.00850.88 C ATOM 43615 O2* C B3096 -810.731 25.041 98.722 1.00850.88 O ATOM 43616 C1* C B3096 -813.116 25.116 98.836 1.00850.88 C ATOM 43617 N1 C B3096 -814.101 24.197 98.251 1.00850.88 N ATOM 43618 C2 C B3096 -814.314 22.972 98.890 1.00850.88 C ATOM 43619 O2 C B3096 -813.722 22.750 99.955 1.00850.88 O ATOM 43620 N3 C B3096 -815.149 22.068 98.340 1.00850.88 N ATOM 43621 C4 C B3096 -815.779 22.351 97.199 1.00850.88 C ATOM 43622 N4 C B3096 -816.576 21.413 96.679 1.00850.88 N ATOM 43623 C5 C B3096 -815.612 23.607 96.537 1.00850.88 C ATOM 43624 C6 C B3096 -814.775 24.495 97.094 1.00850.88 C ATOM 43625 P G B3097 -810.259 27.574 95.705 1.00850.88 P ATOM 43626 O1P G B3097 -809.350 28.741 95.767 1.00850.88 O ATOM 43627 O2P G B3097 -811.481 27.638 94.864 1.00850.88 O ATOM 43628 O5* G B3097 -809.416 26.302 95.255 1.00850.88 O ATOM 43629 C5* G B3097 -808.083 26.451 94.781 1.00850.88 C ATOM 43630 C4* G B3097 -807.681 25.255 93.944 1.00850.88 C ATOM 43631 O4* G B3097 -807.626 24.061 94.763 1.00850.88 O ATOM 43632 C3* G B3097 -808.583 24.877 92.787 1.00850.88 C ATOM 43633 O3* G B3097 -808.315 25.696 91.655 1.00850.88 O ATOM 43634 C2* G B3097 -808.230 23.412 92.551 1.00850.88 C ATOM 43635 O2* G B3097 -807.068 23.256 91.765 1.00850.88 O ATOM 43636 C1* G B3097 -807.951 22.928 93.977 1.00850.88 C ATOM 43637 N9 G B3097 -809.105 22.268 94.575 1.00850.88 N ATOM 43638 C8 G B3097 -809.762 22.630 95.725 1.00850.88 C ATOM 43639 N7 G B3097 -810.771 21.850 96.010 1.00850.88 N ATOM 43640 C5 G B3097 -810.778 20.913 94.981 1.00850.88 C ATOM 43641 C6 G B3097 -811.644 19.815 94.749 1.00850.88 C ATOM 43642 O6 G B3097 -812.606 19.432 95.422 1.00850.88 O ATOM 43643 N1 G B3097 -811.295 19.129 93.589 1.00850.88 N ATOM 43644 C2 G B3097 -810.249 19.455 92.762 1.00850.88 C ATOM 43645 N2 G B3097 -810.074 18.668 91.690 1.00850.88 N ATOM 43646 N3 G B3097 -809.437 20.477 92.969 1.00850.88 N ATOM 43647 C4 G B3097 -809.757 21.159 94.089 1.00850.88 C ATOM 43648 P U B3098 -809.534 26.193 90.734 1.00850.88 P ATOM 43649 O1P U B3098 -808.967 27.034 89.652 1.00850.88 O ATOM 43650 O2P U B3098 -810.591 26.748 91.619 1.00850.88 O ATOM 43651 O5* U B3098 -810.083 24.849 90.083 1.00850.88 O ATOM 43652 C5* U B3098 -809.219 24.009 89.322 1.00850.88 C ATOM 43653 C4* U B3098 -810.027 22.981 88.566 1.00850.88 C ATOM 43654 O4* U B3098 -810.831 22.214 89.496 1.00850.88 O ATOM 43655 C3* U B3098 -811.010 23.503 87.516 1.00850.88 C ATOM 43656 O3* U B3098 -810.381 23.761 86.252 1.00850.88 O ATOM 43657 C2* U B3098 -812.025 22.359 87.431 1.00850.88 C ATOM 43658 O2* U B3098 -811.608 21.329 86.559 1.00850.88 O ATOM 43659 C1* U B3098 -812.035 21.819 88.870 1.00850.88 C ATOM 43660 N1 U B3098 -813.160 22.260 89.708 1.00850.88 N ATOM 43661 C2 U B3098 -814.305 21.480 89.716 1.00850.88 C ATOM 43662 O2 U B3098 -814.413 20.458 89.059 1.00850.88 O ATOM 43663 N3 U B3098 -815.316 21.940 90.526 1.00850.88 N ATOM 43664 C4 U B3098 -815.299 23.071 91.312 1.00850.88 C ATOM 43665 O4 U B3098 -816.300 23.370 91.968 1.00850.88 O ATOM 43666 C5 U B3098 -814.082 23.822 91.251 1.00850.88 C ATOM 43667 C6 U B3098 -813.081 23.403 90.470 1.00850.88 C ATOM 43668 P U B3099 -811.225 24.414 85.046 1.00850.88 P ATOM 43669 O1P U B3099 -810.371 25.432 84.370 1.00850.88 O ATOM 43670 O2P U B3099 -812.561 24.808 85.555 1.00850.88 O ATOM 43671 O5* U B3099 -811.409 23.216 84.018 1.00850.88 O ATOM 43672 C5* U B3099 -810.282 22.484 83.552 1.00850.88 C ATOM 43673 C4* U B3099 -810.716 21.131 83.059 1.00850.88 C ATOM 43674 O4* U B3099 -811.287 20.376 84.162 1.00850.88 O ATOM 43675 C3* U B3099 -811.808 21.172 82.018 1.00850.88 C ATOM 43676 O3* U B3099 -811.262 21.348 80.718 1.00850.88 O ATOM 43677 C2* U B3099 -812.498 19.824 82.188 1.00850.88 C ATOM 43678 O2* U B3099 -811.846 18.782 81.501 1.00850.88 O ATOM 43679 C1* U B3099 -812.383 19.606 83.697 1.00850.88 C ATOM 43680 N1 U B3099 -813.597 20.046 84.399 1.00850.88 N ATOM 43681 C2 U B3099 -814.444 19.074 84.886 1.00850.88 C ATOM 43682 O2 U B3099 -814.220 17.883 84.766 1.00850.88 O ATOM 43683 N3 U B3099 -815.570 19.546 85.512 1.00850.88 N ATOM 43684 C4 U B3099 -815.926 20.866 85.699 1.00850.88 C ATOM 43685 O4 U B3099 -816.977 21.133 86.276 1.00850.88 O ATOM 43686 C5 U B3099 -814.989 21.812 85.173 1.00850.88 C ATOM 43687 C6 U B3099 -813.885 21.382 84.558 1.00850.88 C ATOM 43688 P G B3100 -812.165 22.020 79.579 1.00850.88 P ATOM 43689 O1P G B3100 -811.399 22.010 78.309 1.00850.88 O ATOM 43690 O2P G B3100 -812.699 23.303 80.107 1.00850.88 O ATOM 43691 O5* G B3100 -813.380 21.003 79.446 1.00850.88 O ATOM 43692 C5* G B3100 -814.624 21.419 78.919 1.00850.88 C ATOM 43693 C4* G B3100 -815.695 20.425 79.276 1.00850.88 C ATOM 43694 O4* G B3100 -815.712 20.200 80.712 1.00850.88 O ATOM 43695 C3* G B3100 -817.109 20.862 78.940 1.00850.88 C ATOM 43696 O3* G B3100 -817.425 20.640 77.580 1.00850.88 O ATOM 43697 C2* G B3100 -817.953 20.056 79.918 1.00850.88 C ATOM 43698 O2* G B3100 -818.186 18.733 79.474 1.00850.88 O ATOM 43699 C1* G B3100 -817.051 20.034 81.153 1.00850.88 C ATOM 43700 N9 G B3100 -817.357 21.127 82.071 1.00850.88 N ATOM 43701 C8 G B3100 -816.717 22.343 82.155 1.00850.88 C ATOM 43702 N7 G B3100 -817.226 23.129 83.061 1.00850.88 N ATOM 43703 C5 G B3100 -818.261 22.388 83.615 1.00850.88 C ATOM 43704 C6 G B3100 -819.180 22.718 84.645 1.00850.88 C ATOM 43705 O6 G B3100 -819.266 23.767 85.296 1.00850.88 O ATOM 43706 N1 G B3100 -820.067 21.677 84.892 1.00850.88 N ATOM 43707 C2 G B3100 -820.073 20.472 84.235 1.00850.88 C ATOM 43708 N2 G B3100 -821.014 19.596 84.620 1.00850.88 N ATOM 43709 N3 G B3100 -819.229 20.150 83.271 1.00850.88 N ATOM 43710 C4 G B3100 -818.355 21.150 83.015 1.00850.88 C ATOM 43711 P A B3101 -818.035 21.839 76.711 1.00850.88 P ATOM 43712 O1P A B3101 -818.324 21.319 75.354 1.00850.88 O ATOM 43713 O2P A B3101 -817.158 23.027 76.874 1.00850.88 O ATOM 43714 O5* A B3101 -819.410 22.129 77.450 1.00850.88 O ATOM 43715 C5* A B3101 -820.505 21.235 77.302 1.00850.88 C ATOM 43716 C4* A B3101 -821.682 21.733 78.090 1.00850.88 C ATOM 43717 O4* A B3101 -821.366 21.795 79.505 1.00850.88 O ATOM 43718 C3* A B3101 -822.135 23.152 77.856 1.00850.88 C ATOM 43719 O3* A B3101 -822.785 23.244 76.598 1.00850.88 O ATOM 43720 C2* A B3101 -822.990 23.473 79.075 1.00850.88 C ATOM 43721 O2* A B3101 -824.330 23.037 78.947 1.00850.88 O ATOM 43722 C1* A B3101 -822.274 22.666 80.159 1.00850.88 C ATOM 43723 N9 A B3101 -821.499 23.555 81.022 1.00850.88 N ATOM 43724 C8 A B3101 -820.156 23.817 80.950 1.00850.88 C ATOM 43725 N7 A B3101 -819.738 24.697 81.828 1.00850.88 N ATOM 43726 C5 A B3101 -820.883 25.030 82.531 1.00850.88 C ATOM 43727 C6 A B3101 -821.111 25.916 83.595 1.00850.88 C ATOM 43728 N6 A B3101 -820.147 26.665 84.143 1.00850.88 N ATOM 43729 N1 A B3101 -822.369 26.016 84.075 1.00850.88 N ATOM 43730 C2 A B3101 -823.327 25.269 83.512 1.00850.88 C ATOM 43731 N3 A B3101 -823.240 24.399 82.507 1.00850.88 N ATOM 43732 C4 A B3101 -821.975 24.326 82.057 1.00850.88 C ATOM 43733 P G B3102 -823.044 24.694 75.958 1.00850.88 P ATOM 43734 O1P G B3102 -823.544 24.485 74.578 1.00850.88 O ATOM 43735 O2P G B3102 -821.855 25.554 76.191 1.00850.88 O ATOM 43736 O5* G B3102 -824.241 25.223 76.858 1.00850.88 O ATOM 43737 C5* G B3102 -825.537 24.690 76.646 1.00850.88 C ATOM 43738 C4* G B3102 -826.577 25.460 77.417 1.00850.88 C ATOM 43739 O4* G B3102 -826.458 25.257 78.848 1.00850.88 O ATOM 43740 C3* G B3102 -826.552 26.956 77.224 1.00850.88 C ATOM 43741 O3* G B3102 -827.167 27.353 76.018 1.00850.88 O ATOM 43742 C2* G B3102 -827.344 27.428 78.442 1.00850.88 C ATOM 43743 O2* G B3102 -828.738 27.319 78.244 1.00850.88 O ATOM 43744 C1* G B3102 -826.916 26.423 79.510 1.00850.88 C ATOM 43745 N9 G B3102 -825.863 26.959 80.367 1.00850.88 N ATOM 43746 C8 G B3102 -824.510 26.742 80.293 1.00850.88 C ATOM 43747 N7 G B3102 -823.838 27.393 81.208 1.00850.88 N ATOM 43748 C5 G B3102 -824.809 28.071 81.931 1.00850.88 C ATOM 43749 C6 G B3102 -824.695 28.945 83.046 1.00850.88 C ATOM 43750 O6 G B3102 -823.669 29.310 83.637 1.00850.88 O ATOM 43751 N1 G B3102 -825.935 29.412 83.459 1.00850.88 N ATOM 43752 C2 G B3102 -827.135 29.088 82.884 1.00850.88 C ATOM 43753 N2 G B3102 -828.228 29.644 83.428 1.00850.88 N ATOM 43754 N3 G B3102 -827.261 28.276 81.849 1.00850.88 N ATOM 43755 C4 G B3102 -826.065 27.809 81.426 1.00850.88 C ATOM 43756 P A B3103 -826.757 28.754 75.368 1.00850.88 P ATOM 43757 O1P A B3103 -827.413 28.843 74.041 1.00850.88 O ATOM 43758 O2P A B3103 -825.282 28.888 75.469 1.00850.88 O ATOM 43759 O5* A B3103 -827.423 29.811 76.349 1.00850.88 O ATOM 43760 C5* A B3103 -828.837 29.874 76.497 1.00850.88 C ATOM 43761 C4* A B3103 -829.192 30.835 77.599 1.00850.88 C ATOM 43762 O4* A B3103 -828.575 30.420 78.846 1.00850.88 O ATOM 43763 C3* A B3103 -828.750 32.288 77.519 1.00850.88 C ATOM 43764 O3* A B3103 -829.552 33.010 76.595 1.00850.88 O ATOM 43765 C2* A B3103 -828.881 32.780 78.955 1.00850.88 C ATOM 43766 O2* A B3103 -830.194 33.199 79.268 1.00850.88 O ATOM 43767 C1* A B3103 -828.533 31.518 79.745 1.00850.88 C ATOM 43768 N9 A B3103 -827.186 31.581 80.313 1.00850.88 N ATOM 43769 C8 A B3103 -826.026 31.076 79.777 1.00850.88 C ATOM 43770 N7 A B3103 -824.965 31.299 80.514 1.00850.88 N ATOM 43771 C5 A B3103 -825.458 31.998 81.608 1.00850.88 C ATOM 43772 C6 A B3103 -824.836 32.528 82.755 1.00850.88 C ATOM 43773 N6 A B3103 -823.528 32.431 82.995 1.00850.88 N ATOM 43774 N1 A B3103 -825.615 33.165 83.655 1.00850.88 N ATOM 43775 C2 A B3103 -826.928 33.259 83.410 1.00850.88 C ATOM 43776 N3 A B3103 -827.629 32.808 82.372 1.00850.88 N ATOM 43777 C4 A B3103 -826.827 32.177 81.496 1.00850.88 C ATOM 43778 P C B3104 -829.001 34.391 75.992 1.00850.88 P ATOM 43779 O1P C B3104 -829.965 34.847 74.959 1.00850.88 O ATOM 43780 O2P C B3104 -827.571 34.206 75.630 1.00850.88 O ATOM 43781 O5* C B3104 -829.077 35.388 77.229 1.00850.88 O ATOM 43782 C5* C B3104 -830.336 35.772 77.766 1.00850.88 C ATOM 43783 C4* C B3104 -830.144 36.587 79.022 1.00850.88 C ATOM 43784 O4* C B3104 -829.491 35.791 80.042 1.00850.88 O ATOM 43785 C3* C B3104 -829.257 37.803 78.860 1.00850.88 C ATOM 43786 O3* C B3104 -829.997 38.904 78.349 1.00850.88 O ATOM 43787 C2* C B3104 -828.758 38.046 80.278 1.00850.88 C ATOM 43788 O2* C B3104 -829.678 38.780 81.063 1.00850.88 O ATOM 43789 C1* C B3104 -828.642 36.621 80.819 1.00850.88 C ATOM 43790 N1 C B3104 -827.268 36.105 80.722 1.00850.88 N ATOM 43791 C2 C B3104 -826.422 36.239 81.829 1.00850.88 C ATOM 43792 O2 C B3104 -826.865 36.762 82.862 1.00850.88 O ATOM 43793 N3 C B3104 -825.147 35.797 81.743 1.00850.88 N ATOM 43794 C4 C B3104 -824.711 35.236 80.615 1.00850.88 C ATOM 43795 N4 C B3104 -823.439 34.823 80.572 1.00850.88 N ATOM 43796 C5 C B3104 -825.552 35.077 79.477 1.00850.88 C ATOM 43797 C6 C B3104 -826.814 35.518 79.575 1.00850.88 C ATOM 43798 P G B3105 -829.356 39.811 77.191 1.00850.88 P ATOM 43799 O1P G B3105 -830.253 40.978 76.989 1.00850.88 O ATOM 43800 O2P G B3105 -829.025 38.932 76.041 1.00850.88 O ATOM 43801 O5* G B3105 -827.996 40.330 77.834 1.00850.88 O ATOM 43802 C5* G B3105 -828.013 41.311 78.864 1.00850.88 C ATOM 43803 C4* G B3105 -826.624 41.854 79.107 1.00850.88 C ATOM 43804 O4* G B3105 -825.839 40.919 79.896 1.00850.88 O ATOM 43805 C3* G B3105 -825.807 42.080 77.856 1.00850.88 C ATOM 43806 O3* G B3105 -826.116 43.321 77.244 1.00850.88 O ATOM 43807 C2* G B3105 -824.376 42.034 78.383 1.00850.88 C ATOM 43808 O2* G B3105 -823.961 43.265 78.941 1.00850.88 O ATOM 43809 C1* G B3105 -824.479 40.987 79.494 1.00850.88 C ATOM 43810 N9 G B3105 -824.062 39.667 79.028 1.00850.88 N ATOM 43811 C8 G B3105 -824.867 38.655 78.570 1.00850.88 C ATOM 43812 N7 G B3105 -824.199 37.597 78.197 1.00850.88 N ATOM 43813 C5 G B3105 -822.870 37.927 78.428 1.00850.88 C ATOM 43814 C6 G B3105 -821.684 37.175 78.214 1.00850.88 C ATOM 43815 O6 G B3105 -821.566 36.034 77.756 1.00850.88 O ATOM 43816 N1 G B3105 -820.550 37.888 78.584 1.00850.88 N ATOM 43817 C2 G B3105 -820.550 39.158 79.099 1.00850.88 C ATOM 43818 N2 G B3105 -819.343 39.669 79.396 1.00850.88 N ATOM 43819 N3 G B3105 -821.648 39.874 79.305 1.00850.88 N ATOM 43820 C4 G B3105 -822.766 39.200 78.951 1.00850.88 C ATOM 43821 P U B3106 -825.813 43.527 75.677 1.00850.88 P ATOM 43822 O1P U B3106 -826.489 44.774 75.245 1.00850.88 O ATOM 43823 O2P U B3106 -826.102 42.250 74.974 1.00850.88 O ATOM 43824 O5* U B3106 -824.242 43.774 75.636 1.00850.88 O ATOM 43825 C5* U B3106 -823.689 44.990 76.126 1.00850.88 C ATOM 43826 C4* U B3106 -822.259 45.139 75.686 1.00850.88 C ATOM 43827 O4* U B3106 -821.389 44.264 76.449 1.00850.88 O ATOM 43828 C3* U B3106 -822.062 44.746 74.237 1.00850.88 C ATOM 43829 O3* U B3106 -822.359 45.810 73.349 1.00850.88 O ATOM 43830 C2* U B3106 -820.596 44.324 74.198 1.00850.88 C ATOM 43831 O2* U B3106 -819.714 45.417 74.045 1.00850.88 O ATOM 43832 C1* U B3106 -820.403 43.712 75.590 1.00850.88 C ATOM 43833 N1 U B3106 -820.542 42.252 75.596 1.00850.88 N ATOM 43834 C2 U B3106 -819.394 41.508 75.409 1.00850.88 C ATOM 43835 O2 U B3106 -818.296 42.019 75.260 1.00850.88 O ATOM 43836 N3 U B3106 -819.577 40.149 75.406 1.00850.88 N ATOM 43837 C4 U B3106 -820.768 39.471 75.571 1.00850.88 C ATOM 43838 O4 U B3106 -820.775 38.240 75.520 1.00850.88 O ATOM 43839 C5 U B3106 -821.912 40.313 75.767 1.00850.88 C ATOM 43840 C6 U B3106 -821.762 41.641 75.770 1.00850.88 C ATOM 43841 P G B3107 -823.811 45.900 72.689 1.00850.88 P ATOM 43842 O1P G B3107 -824.335 47.261 72.954 1.00850.88 O ATOM 43843 O2P G B3107 -824.597 44.711 73.109 1.00850.88 O ATOM 43844 O5* G B3107 -823.480 45.775 71.139 1.00850.88 O ATOM 43845 C5* G B3107 -823.349 44.510 70.515 1.00850.88 C ATOM 43846 C4* G B3107 -822.228 43.744 71.169 1.00850.88 C ATOM 43847 O4* G B3107 -822.796 42.714 72.017 1.00850.88 O ATOM 43848 C3* G B3107 -821.259 42.934 70.328 1.00850.88 C ATOM 43849 O3* G B3107 -820.274 43.831 69.797 1.00850.88 O ATOM 43850 C2* G B3107 -820.665 41.921 71.311 1.00850.88 C ATOM 43851 O2* G B3107 -819.528 42.416 71.988 1.00850.88 O ATOM 43852 C1* G B3107 -821.806 41.748 72.319 1.00850.88 C ATOM 43853 N9 G B3107 -822.424 40.426 72.257 1.00850.88 N ATOM 43854 C8 G B3107 -823.755 40.133 72.083 1.00850.88 C ATOM 43855 N7 G B3107 -823.995 38.849 72.034 1.00850.88 N ATOM 43856 C5 G B3107 -822.747 38.261 72.197 1.00850.88 C ATOM 43857 C6 G B3107 -822.371 36.892 72.220 1.00850.88 C ATOM 43858 O6 G B3107 -823.086 35.892 72.090 1.00850.88 O ATOM 43859 N1 G B3107 -821.000 36.744 72.413 1.00850.88 N ATOM 43860 C2 G B3107 -820.104 37.773 72.553 1.00850.88 C ATOM 43861 N2 G B3107 -818.823 37.424 72.726 1.00850.88 N ATOM 43862 N3 G B3107 -820.441 39.052 72.529 1.00850.88 N ATOM 43863 C4 G B3107 -821.769 39.221 72.349 1.00850.88 C ATOM 43864 P G B3108 -820.183 44.089 68.197 1.00850.88 P ATOM 43865 O1P G B3108 -819.319 45.284 67.981 1.00850.88 O ATOM 43866 O2P G B3108 -821.552 44.073 67.626 1.00850.88 O ATOM 43867 O5* G B3108 -819.394 42.829 67.613 1.00850.88 O ATOM 43868 C5* G B3108 -817.994 42.662 67.863 1.00850.88 C ATOM 43869 C4* G B3108 -817.664 41.197 67.997 1.00850.88 C ATOM 43870 O4* G B3108 -818.549 40.702 69.043 1.00850.88 O ATOM 43871 C3* G B3108 -818.043 40.278 66.873 1.00850.88 C ATOM 43872 O3* G B3108 -817.026 40.161 65.856 1.00850.88 O ATOM 43873 C2* G B3108 -818.112 38.932 67.568 1.00850.88 C ATOM 43874 O2* G B3108 -816.846 38.342 67.822 1.00850.88 O ATOM 43875 C1* G B3108 -818.758 39.311 68.881 1.00850.88 C ATOM 43876 N9 G B3108 -820.193 39.068 68.760 1.00850.88 N ATOM 43877 C8 G B3108 -821.183 39.957 68.413 1.00850.88 C ATOM 43878 N7 G B3108 -822.367 39.399 68.335 1.00850.88 N ATOM 43879 C5 G B3108 -822.149 38.073 68.692 1.00850.88 C ATOM 43880 C6 G B3108 -823.066 36.970 68.797 1.00850.88 C ATOM 43881 O6 G B3108 -824.289 36.962 68.608 1.00850.88 O ATOM 43882 N1 G B3108 -822.413 35.789 69.157 1.00850.88 N ATOM 43883 C2 G B3108 -821.062 35.672 69.373 1.00850.88 C ATOM 43884 N2 G B3108 -820.616 34.449 69.702 1.00850.88 N ATOM 43885 N3 G B3108 -820.204 36.682 69.274 1.00850.88 N ATOM 43886 C4 G B3108 -820.816 37.847 68.945 1.00850.88 C ATOM 43887 P U B3109 -817.398 39.351 64.487 1.00850.88 P ATOM 43888 O1P U B3109 -818.618 39.972 63.938 1.00850.88 O ATOM 43889 O2P U B3109 -817.413 37.910 64.822 1.00850.88 O ATOM 43890 O5* U B3109 -816.331 39.592 63.321 1.00850.88 O ATOM 43891 C5* U B3109 -814.983 39.076 63.473 1.00850.88 C ATOM 43892 C4* U B3109 -814.726 37.760 62.708 1.00850.88 C ATOM 43893 O4* U B3109 -815.483 36.638 63.233 1.00850.88 O ATOM 43894 C3* U B3109 -815.035 37.765 61.206 1.00850.88 C ATOM 43895 O3* U B3109 -814.003 38.333 60.411 1.00850.88 O ATOM 43896 C2* U B3109 -815.180 36.282 60.882 1.00850.88 C ATOM 43897 O2* U B3109 -813.950 35.643 60.613 1.00850.88 O ATOM 43898 C1* U B3109 -815.776 35.732 62.182 1.00850.88 C ATOM 43899 N1 U B3109 -817.230 35.590 62.104 1.00850.88 N ATOM 43900 C2 U B3109 -817.737 34.339 61.869 1.00850.88 C ATOM 43901 O2 U B3109 -817.035 33.349 61.735 1.00850.88 O ATOM 43902 N3 U B3109 -819.098 34.283 61.788 1.00850.88 N ATOM 43903 C4 U B3109 -819.978 35.325 61.915 1.00850.88 C ATOM 43904 O4 U B3109 -821.174 35.098 61.786 1.00850.88 O ATOM 43905 C5 U B3109 -819.376 36.597 62.169 1.00850.88 C ATOM 43906 C6 U B3109 -818.052 36.680 62.253 1.00850.88 C ATOM 43907 P G B3110 -814.390 39.276 59.178 1.00850.88 P ATOM 43908 O1P G B3110 -813.134 39.492 58.450 1.00850.88 O ATOM 43909 O2P G B3110 -815.137 40.443 59.712 1.00850.88 O ATOM 43910 O5* G B3110 -815.377 38.400 58.285 1.00850.88 O ATOM 43911 C5* G B3110 -814.971 37.162 57.711 1.00850.88 C ATOM 43912 C4* G B3110 -816.082 36.607 56.857 1.00850.88 C ATOM 43913 O4* G B3110 -817.265 36.495 57.690 1.00850.88 O ATOM 43914 C3* G B3110 -816.484 37.441 55.630 1.00850.88 C ATOM 43915 O3* G B3110 -816.813 36.543 54.574 1.00850.88 O ATOM 43916 C2* G B3110 -817.735 38.183 56.098 1.00850.88 C ATOM 43917 O2* G B3110 -818.651 38.396 55.043 1.00850.88 O ATOM 43918 C1* G B3110 -818.336 37.206 57.105 1.00850.88 C ATOM 43919 N9 G B3110 -819.066 37.867 58.185 1.00850.88 N ATOM 43920 C8 G B3110 -818.634 38.917 58.962 1.00850.88 C ATOM 43921 N7 G B3110 -819.511 39.291 59.853 1.00850.88 N ATOM 43922 C5 G B3110 -820.589 38.441 59.648 1.00850.88 C ATOM 43923 C6 G B3110 -821.842 38.366 60.312 1.00850.88 C ATOM 43924 O6 G B3110 -822.267 39.060 61.248 1.00850.88 O ATOM 43925 N1 G B3110 -822.639 37.355 59.786 1.00850.88 N ATOM 43926 C2 G B3110 -822.280 36.519 58.756 1.00850.88 C ATOM 43927 N2 G B3110 -823.183 35.604 58.388 1.00850.88 N ATOM 43928 N3 G B3110 -821.116 36.580 58.129 1.00850.88 N ATOM 43929 C4 G B3110 -820.331 37.556 58.624 1.00850.88 C ATOM 43930 P C B3111 -815.904 36.503 53.244 1.00850.88 P ATOM 43931 O1P C B3111 -816.834 36.537 52.088 1.00850.88 O ATOM 43932 O2P C B3111 -814.942 35.381 53.380 1.00850.88 O ATOM 43933 O5* C B3111 -815.073 37.866 53.258 1.00850.88 O ATOM 43934 C5* C B3111 -815.621 39.077 52.730 1.00850.88 C ATOM 43935 C4* C B3111 -814.626 39.739 51.795 1.00850.88 C ATOM 43936 O4* C B3111 -813.393 39.971 52.509 1.00850.88 O ATOM 43937 C3* C B3111 -814.292 38.886 50.569 1.00850.88 C ATOM 43938 O3* C B3111 -815.056 39.273 49.420 1.00850.88 O ATOM 43939 C2* C B3111 -812.853 39.323 50.268 1.00850.88 C ATOM 43940 O2* C B3111 -812.779 40.454 49.429 1.00850.88 O ATOM 43941 C1* C B3111 -812.313 39.695 51.647 1.00850.88 C ATOM 43942 N1 C B3111 -811.436 38.712 52.273 1.00850.88 N ATOM 43943 C2 C B3111 -810.103 39.055 52.501 1.00850.88 C ATOM 43944 O2 C B3111 -809.690 40.148 52.097 1.00850.88 O ATOM 43945 N3 C B3111 -809.301 38.194 53.148 1.00850.88 N ATOM 43946 C4 C B3111 -809.783 37.036 53.566 1.00850.88 C ATOM 43947 N4 C B3111 -808.960 36.238 54.246 1.00850.88 N ATOM 43948 C5 C B3111 -811.135 36.644 53.314 1.00850.88 C ATOM 43949 C6 C B3111 -811.913 37.499 52.663 1.00850.88 C ATOM 43950 P G B3112 -816.205 38.305 48.823 1.00850.88 P ATOM 43951 O1P G B3112 -817.415 38.305 49.690 1.00850.88 O ATOM 43952 O2P G B3112 -815.571 37.020 48.451 1.00850.88 O ATOM 43953 O5* G B3112 -816.635 39.048 47.478 1.00850.88 O ATOM 43954 C5* G B3112 -815.818 38.965 46.315 1.00850.88 C ATOM 43955 C4* G B3112 -816.380 39.820 45.202 1.00850.88 C ATOM 43956 O4* G B3112 -817.669 39.300 44.785 1.00850.88 O ATOM 43957 C3* G B3112 -816.658 41.277 45.521 1.00850.88 C ATOM 43958 O3* G B3112 -815.476 42.063 45.420 1.00850.88 O ATOM 43959 C2* G B3112 -817.684 41.659 44.463 1.00850.88 C ATOM 43960 O2* G B3112 -817.089 41.990 43.221 1.00850.88 O ATOM 43961 C1* G B3112 -818.480 40.361 44.315 1.00850.88 C ATOM 43962 N9 G B3112 -819.713 40.403 45.090 1.00850.88 N ATOM 43963 C8 G B3112 -820.031 39.672 46.210 1.00850.88 C ATOM 43964 N7 G B3112 -821.205 39.964 46.696 1.00850.88 N ATOM 43965 C5 G B3112 -821.698 40.941 45.841 1.00850.88 C ATOM 43966 C6 G B3112 -822.930 41.648 45.860 1.00850.88 C ATOM 43967 O6 G B3112 -823.864 41.552 46.668 1.00850.88 O ATOM 43968 N1 G B3112 -823.020 42.547 44.800 1.00850.88 N ATOM 43969 C2 G B3112 -822.051 42.745 43.849 1.00850.88 C ATOM 43970 N2 G B3112 -822.325 43.655 42.907 1.00850.88 N ATOM 43971 N3 G B3112 -820.899 42.096 43.823 1.00850.88 N ATOM 43972 C4 G B3112 -820.792 41.218 44.840 1.00850.88 C ATOM 43973 P U B3113 -815.140 43.138 46.567 1.00850.88 P ATOM 43974 O1P U B3113 -814.093 42.555 47.444 1.00850.88 O ATOM 43975 O2P U B3113 -816.421 43.599 47.158 1.00850.88 O ATOM 43976 O5* U B3113 -814.502 44.362 45.768 1.00850.88 O ATOM 43977 C5* U B3113 -813.256 44.231 45.098 1.00850.88 C ATOM 43978 C4* U B3113 -813.219 45.126 43.881 1.00850.88 C ATOM 43979 O4* U B3113 -814.352 44.829 43.022 1.00850.88 O ATOM 43980 C3* U B3113 -813.310 46.614 44.145 1.00850.88 C ATOM 43981 O3* U B3113 -812.010 47.122 44.421 1.00850.88 O ATOM 43982 C2* U B3113 -813.881 47.159 42.843 1.00850.88 C ATOM 43983 O2* U B3113 -812.892 47.377 41.855 1.00850.88 O ATOM 43984 C1* U B3113 -814.806 46.020 42.404 1.00850.88 C ATOM 43985 N1 U B3113 -816.203 46.245 42.798 1.00850.88 N ATOM 43986 C2 U B3113 -817.003 46.965 41.930 1.00850.88 C ATOM 43987 O2 U B3113 -816.599 47.400 40.863 1.00850.88 O ATOM 43988 N3 U B3113 -818.295 47.161 42.359 1.00850.88 N ATOM 43989 C4 U B3113 -818.851 46.715 43.540 1.00850.88 C ATOM 43990 O4 U B3113 -820.022 46.993 43.798 1.00850.88 O ATOM 43991 C5 U B3113 -817.961 45.968 44.376 1.00850.88 C ATOM 43992 C6 U B3113 -816.698 45.763 43.986 1.00850.88 C ATOM 43993 P A B3114 -811.816 48.183 45.612 1.00850.88 P ATOM 43994 O1P A B3114 -810.438 48.728 45.502 1.00850.88 O ATOM 43995 O2P A B3114 -812.253 47.549 46.880 1.00850.88 O ATOM 43996 O5* A B3114 -812.840 49.346 45.253 1.00850.88 O ATOM 43997 C5* A B3114 -812.656 50.145 44.089 1.00850.88 C ATOM 43998 C4* A B3114 -813.921 50.896 43.761 1.00850.88 C ATOM 43999 O4* A B3114 -815.024 49.967 43.594 1.00850.88 O ATOM 44000 C3* A B3114 -814.393 51.881 44.820 1.00850.88 C ATOM 44001 O3* A B3114 -813.747 53.140 44.674 1.00850.88 O ATOM 44002 C2* A B3114 -815.890 51.968 44.549 1.00850.88 C ATOM 44003 O2* A B3114 -816.193 52.875 43.509 1.00850.88 O ATOM 44004 C1* A B3114 -816.214 50.543 44.097 1.00850.88 C ATOM 44005 N9 A B3114 -816.701 49.712 45.198 1.00850.88 N ATOM 44006 C8 A B3114 -816.073 48.657 45.808 1.00850.88 C ATOM 44007 N7 A B3114 -816.771 48.113 46.776 1.00850.88 N ATOM 44008 C5 A B3114 -817.941 48.860 46.801 1.00850.88 C ATOM 44009 C6 A B3114 -819.095 48.790 47.603 1.00850.88 C ATOM 44010 N6 A B3114 -819.267 47.895 48.577 1.00850.88 N ATOM 44011 N1 A B3114 -820.078 49.687 47.369 1.00850.88 N ATOM 44012 C2 A B3114 -819.904 50.585 46.395 1.00850.88 C ATOM 44013 N3 A B3114 -818.871 50.754 45.574 1.00850.88 N ATOM 44014 C4 A B3114 -817.913 49.847 45.833 1.00850.88 C ATOM 44015 P G B3115 -813.483 54.051 45.970 1.00850.88 P ATOM 44016 O1P G B3115 -812.886 55.327 45.502 1.00850.88 O ATOM 44017 O2P G B3115 -812.765 53.231 46.981 1.00850.88 O ATOM 44018 O5* G B3115 -814.942 54.360 46.532 1.00850.88 O ATOM 44019 C5* G B3115 -815.871 55.131 45.777 1.00850.88 C ATOM 44020 C4* G B3115 -817.251 55.023 46.381 1.00850.88 C ATOM 44021 O4* G B3115 -817.577 53.629 46.601 1.00850.88 O ATOM 44022 C3* G B3115 -817.483 55.697 47.730 1.00850.88 C ATOM 44023 O3* G B3115 -817.791 57.076 47.550 1.00850.88 O ATOM 44024 C2* G B3115 -818.671 54.915 48.289 1.00850.88 C ATOM 44025 O2* G B3115 -819.909 55.389 47.800 1.00850.88 O ATOM 44026 C1* G B3115 -818.411 53.511 47.741 1.00850.88 C ATOM 44027 N9 G B3115 -817.739 52.645 48.705 1.00850.88 N ATOM 44028 C8 G B3115 -816.427 52.238 48.672 1.00850.88 C ATOM 44029 N7 G B3115 -816.097 51.485 49.688 1.00850.88 N ATOM 44030 C5 G B3115 -817.265 51.380 50.431 1.00850.88 C ATOM 44031 C6 G B3115 -817.522 50.696 51.645 1.00850.88 C ATOM 44032 O6 G B3115 -816.741 50.022 52.326 1.00850.88 O ATOM 44033 N1 G B3115 -818.841 50.851 52.049 1.00850.88 N ATOM 44034 C2 G B3115 -819.796 51.574 51.379 1.00850.88 C ATOM 44035 N2 G B3115 -821.011 51.603 51.940 1.00850.88 N ATOM 44036 N3 G B3115 -819.571 52.224 50.246 1.00850.88 N ATOM 44037 C4 G B3115 -818.291 52.085 49.833 1.00850.88 C ATOM 44038 P G B3116 -817.797 58.076 48.811 1.00850.88 P ATOM 44039 O1P G B3116 -817.952 57.238 50.030 1.00850.88 O ATOM 44040 O2P G B3116 -818.777 59.157 48.537 1.00850.88 O ATOM 44041 O5* G B3116 -816.339 58.721 48.843 1.00850.88 O ATOM 44042 C5* G B3116 -815.223 57.976 49.322 1.00850.88 C ATOM 44043 C4* G B3116 -814.244 58.886 50.033 1.00850.88 C ATOM 44044 O4* G B3116 -814.931 59.662 51.043 1.00850.88 O ATOM 44045 C3* G B3116 -813.090 58.198 50.741 1.00850.88 C ATOM 44046 O3* G B3116 -811.977 57.999 49.875 1.00850.88 O ATOM 44047 C2* G B3116 -812.692 59.251 51.775 1.00850.88 C ATOM 44048 O2* G B3116 -811.782 60.206 51.273 1.00850.88 O ATOM 44049 C1* G B3116 -814.023 59.937 52.091 1.00850.88 C ATOM 44050 N9 G B3116 -814.610 59.572 53.375 1.00850.88 N ATOM 44051 C8 G B3116 -815.781 58.899 53.620 1.00850.88 C ATOM 44052 N7 G B3116 -816.015 58.728 54.896 1.00850.88 N ATOM 44053 C5 G B3116 -814.933 59.331 55.527 1.00850.88 C ATOM 44054 C6 G B3116 -814.622 59.468 56.907 1.00850.88 C ATOM 44055 O6 G B3116 -815.270 59.071 57.885 1.00850.88 O ATOM 44056 N1 G B3116 -813.425 60.148 57.095 1.00850.88 N ATOM 44057 C2 G B3116 -812.622 60.631 56.091 1.00850.88 C ATOM 44058 N2 G B3116 -811.504 61.262 56.477 1.00850.88 N ATOM 44059 N3 G B3116 -812.899 60.511 54.807 1.00850.88 N ATOM 44060 C4 G B3116 -814.060 59.853 54.598 1.00850.88 C ATOM 44061 P A B3117 -811.749 56.574 49.161 1.00850.88 P ATOM 44062 O1P A B3117 -810.306 56.454 48.831 1.00850.88 O ATOM 44063 O2P A B3117 -812.764 56.395 48.094 1.00850.88 O ATOM 44064 O5* A B3117 -812.050 55.530 50.326 1.00850.88 O ATOM 44065 C5* A B3117 -812.472 54.204 50.030 1.00850.88 C ATOM 44066 C4* A B3117 -812.748 53.442 51.306 1.00850.88 C ATOM 44067 O4* A B3117 -813.549 54.253 52.191 1.00850.88 O ATOM 44068 C3* A B3117 -813.526 52.141 51.117 1.00850.88 C ATOM 44069 O3* A B3117 -812.645 51.073 50.738 1.00850.88 O ATOM 44070 C2* A B3117 -814.271 51.984 52.445 1.00850.88 C ATOM 44071 O2* A B3117 -813.499 51.343 53.440 1.00850.88 O ATOM 44072 C1* A B3117 -814.481 53.445 52.877 1.00850.88 C ATOM 44073 N9 A B3117 -815.790 54.089 52.726 1.00850.88 N ATOM 44074 C8 A B3117 -816.296 54.585 51.547 1.00850.88 C ATOM 44075 N7 A B3117 -817.423 55.238 51.689 1.00850.88 N ATOM 44076 C5 A B3117 -817.694 55.145 53.045 1.00850.88 C ATOM 44077 C6 A B3117 -818.742 55.656 53.830 1.00850.88 C ATOM 44078 N6 A B3117 -819.734 56.412 53.345 1.00850.88 N ATOM 44079 N1 A B3117 -818.732 55.374 55.152 1.00850.88 N ATOM 44080 C2 A B3117 -817.722 54.640 55.641 1.00850.88 C ATOM 44081 N3 A B3117 -816.671 54.116 55.006 1.00850.88 N ATOM 44082 C4 A B3117 -816.715 54.413 53.695 1.00850.88 C ATOM 44083 P U B3118 -813.048 50.030 49.581 1.00850.88 P ATOM 44084 O1P U B3118 -811.877 49.174 49.272 1.00850.88 O ATOM 44085 O2P U B3118 -813.685 50.818 48.497 1.00850.88 O ATOM 44086 O5* U B3118 -814.181 49.127 50.230 1.00850.88 O ATOM 44087 C5* U B3118 -815.224 48.599 49.432 1.00850.88 C ATOM 44088 C4* U B3118 -815.625 47.246 49.941 1.00850.88 C ATOM 44089 O4* U B3118 -814.566 46.276 49.734 1.00850.88 O ATOM 44090 C3* U B3118 -816.001 47.196 51.406 1.00850.88 C ATOM 44091 O3* U B3118 -817.103 46.352 51.635 1.00850.88 O ATOM 44092 C2* U B3118 -814.759 46.593 52.044 1.00850.88 C ATOM 44093 O2* U B3118 -815.017 45.870 53.231 1.00850.88 O ATOM 44094 C1* U B3118 -814.290 45.638 50.957 1.00850.88 C ATOM 44095 N1 U B3118 -812.853 45.423 51.076 1.00850.88 N ATOM 44096 C2 U B3118 -812.447 44.195 51.537 1.00850.88 C ATOM 44097 O2 U B3118 -813.219 43.296 51.796 1.00850.88 O ATOM 44098 N3 U B3118 -811.108 44.060 51.687 1.00850.88 N ATOM 44099 C4 U B3118 -810.171 44.991 51.423 1.00850.88 C ATOM 44100 O4 U B3118 -809.016 44.676 51.541 1.00850.88 O ATOM 44101 C5 U B3118 -810.661 46.240 50.927 1.00850.88 C ATOM 44102 C6 U B3118 -811.956 46.406 50.770 1.00850.88 C ATOM 44103 P A B3119 -818.380 46.939 52.402 1.00850.88 P ATOM 44104 O1P A B3119 -819.194 47.662 51.399 1.00850.88 O ATOM 44105 O2P A B3119 -817.893 47.650 53.616 1.00850.88 O ATOM 44106 O5* A B3119 -819.165 45.641 52.866 1.00850.88 O ATOM 44107 C5* A B3119 -819.459 45.410 54.239 1.00850.88 C ATOM 44108 C4* A B3119 -820.939 45.219 54.407 1.00850.88 C ATOM 44109 O4* A B3119 -821.599 46.352 53.783 1.00850.88 O ATOM 44110 C3* A B3119 -821.548 43.953 53.776 1.00850.88 C ATOM 44111 O3* A B3119 -822.591 43.487 54.623 1.00850.88 O ATOM 44112 C2* A B3119 -822.099 44.464 52.451 1.00850.88 C ATOM 44113 O2* A B3119 -823.226 43.737 51.998 1.00850.88 O ATOM 44114 C1* A B3119 -822.491 45.900 52.790 1.00850.88 C ATOM 44115 N9 A B3119 -822.380 46.808 51.646 1.00850.88 N ATOM 44116 C8 A B3119 -821.846 46.541 50.408 1.00850.88 C ATOM 44117 N7 A B3119 -821.879 47.563 49.590 1.00850.88 N ATOM 44118 C5 A B3119 -822.477 48.571 50.335 1.00850.88 C ATOM 44119 C6 A B3119 -822.806 49.906 50.037 1.00850.88 C ATOM 44120 N6 A B3119 -822.572 50.483 48.857 1.00850.88 N ATOM 44121 N1 A B3119 -823.391 50.637 51.009 1.00850.88 N ATOM 44122 C2 A B3119 -823.633 50.061 52.191 1.00850.88 C ATOM 44123 N3 A B3119 -823.373 48.817 52.591 1.00850.88 N ATOM 44124 C4 A B3119 -822.788 48.117 51.604 1.00850.88 C ATOM 44125 P G B3120 -823.053 41.948 54.532 1.00850.88 P ATOM 44126 O1P G B3120 -822.599 41.290 55.783 1.00850.88 O ATOM 44127 O2P G B3120 -822.633 41.398 53.220 1.00850.88 O ATOM 44128 O5* G B3120 -824.644 42.008 54.561 1.00850.88 O ATOM 44129 C5* G B3120 -825.418 41.844 53.374 1.00850.88 C ATOM 44130 C4* G B3120 -826.642 41.027 53.686 1.00850.88 C ATOM 44131 O4* G B3120 -826.228 39.754 54.247 1.00850.88 O ATOM 44132 C3* G B3120 -827.616 41.603 54.705 1.00850.88 C ATOM 44133 O3* G B3120 -828.512 42.509 54.075 1.00850.88 O ATOM 44134 C2* G B3120 -828.287 40.364 55.278 1.00850.88 C ATOM 44135 O2* G B3120 -829.345 39.893 54.468 1.00850.88 O ATOM 44136 C1* G B3120 -827.135 39.357 55.262 1.00850.88 C ATOM 44137 N9 G B3120 -826.379 39.299 56.507 1.00850.88 N ATOM 44138 C8 G B3120 -825.193 39.942 56.768 1.00850.88 C ATOM 44139 N7 G B3120 -824.729 39.703 57.967 1.00850.88 N ATOM 44140 C5 G B3120 -825.667 38.855 58.532 1.00850.88 C ATOM 44141 C6 G B3120 -825.703 38.255 59.817 1.00850.88 C ATOM 44142 O6 G B3120 -824.881 38.357 60.738 1.00850.88 O ATOM 44143 N1 G B3120 -826.837 37.471 59.983 1.00850.88 N ATOM 44144 C2 G B3120 -827.812 37.279 59.038 1.00850.88 C ATOM 44145 N2 G B3120 -828.830 36.484 59.391 1.00850.88 N ATOM 44146 N3 G B3120 -827.790 37.831 57.832 1.00850.88 N ATOM 44147 C4 G B3120 -826.696 38.596 57.649 1.00850.88 C ATOM 44148 P G B3121 -828.271 44.089 54.223 1.00850.88 P ATOM 44149 O1P G B3121 -829.138 44.777 53.231 1.00850.88 O ATOM 44150 O2P G B3121 -826.810 44.345 54.226 1.00850.88 O ATOM 44151 O5* G B3121 -828.829 44.407 55.677 1.00850.88 O ATOM 44152 C5* G B3121 -829.053 45.746 56.089 1.00850.88 C ATOM 44153 C4* G B3121 -829.885 45.763 57.342 1.00850.88 C ATOM 44154 O4* G B3121 -829.146 45.163 58.433 1.00850.88 O ATOM 44155 C3* G B3121 -830.253 47.142 57.855 1.00850.88 C ATOM 44156 O3* G B3121 -831.368 47.672 57.151 1.00850.88 O ATOM 44157 C2* G B3121 -830.526 46.885 59.332 1.00850.88 C ATOM 44158 O2* G B3121 -831.824 46.382 59.566 1.00850.88 O ATOM 44159 C1* G B3121 -829.491 45.801 59.650 1.00850.88 C ATOM 44160 N9 G B3121 -828.269 46.347 60.235 1.00850.88 N ATOM 44161 C8 G B3121 -828.011 47.660 60.543 1.00850.88 C ATOM 44162 N7 G B3121 -826.829 47.839 61.066 1.00850.88 N ATOM 44163 C5 G B3121 -826.274 46.567 61.106 1.00850.88 C ATOM 44164 C6 G B3121 -825.008 46.126 61.568 1.00850.88 C ATOM 44165 O6 G B3121 -824.090 46.797 62.059 1.00850.88 O ATOM 44166 N1 G B3121 -824.860 44.752 61.422 1.00850.88 N ATOM 44167 C2 G B3121 -825.805 43.908 60.895 1.00850.88 C ATOM 44168 N2 G B3121 -825.481 42.611 60.833 1.00850.88 N ATOM 44169 N3 G B3121 -826.988 44.304 60.459 1.00850.88 N ATOM 44170 C4 G B3121 -827.155 45.636 60.592 1.00850.88 C ATOM 44171 P U B3122 -831.434 49.246 56.846 1.00850.88 P ATOM 44172 O1P U B3122 -831.648 49.410 55.385 1.00850.88 O ATOM 44173 O2P U B3122 -830.264 49.892 57.494 1.00850.88 O ATOM 44174 O5* U B3122 -832.744 49.711 57.610 1.00850.88 O ATOM 44175 C5* U B3122 -834.004 49.134 57.296 1.00850.88 C ATOM 44176 C4* U B3122 -834.795 48.889 58.555 1.00850.88 C ATOM 44177 O4* U B3122 -834.044 48.035 59.459 1.00850.88 O ATOM 44178 C3* U B3122 -835.101 50.131 59.356 1.00850.88 C ATOM 44179 O3* U B3122 -836.273 50.756 58.854 1.00850.88 O ATOM 44180 C2* U B3122 -835.290 49.587 60.766 1.00850.88 C ATOM 44181 O2* U B3122 -836.591 49.077 60.973 1.00850.88 O ATOM 44182 C1* U B3122 -834.274 48.444 60.797 1.00850.88 C ATOM 44183 N1 U B3122 -833.000 48.870 61.391 1.00850.88 N ATOM 44184 C2 U B3122 -832.746 48.479 62.690 1.00850.88 C ATOM 44185 O2 U B3122 -833.515 47.793 63.337 1.00850.88 O ATOM 44186 N3 U B3122 -831.552 48.925 63.206 1.00850.88 N ATOM 44187 C4 U B3122 -830.607 49.697 62.568 1.00850.88 C ATOM 44188 O4 U B3122 -829.582 50.019 63.174 1.00850.88 O ATOM 44189 C5 U B3122 -830.939 50.052 61.223 1.00850.88 C ATOM 44190 C6 U B3122 -832.094 49.636 60.690 1.00850.88 C ATOM 44191 P G B3123 -836.255 52.335 58.557 1.00850.88 P ATOM 44192 O1P G B3123 -837.190 52.590 57.438 1.00850.88 O ATOM 44193 O2P G B3123 -834.840 52.765 58.449 1.00850.88 O ATOM 44194 O5* G B3123 -836.867 52.975 59.883 1.00850.88 O ATOM 44195 C5* G B3123 -838.261 52.888 60.150 1.00850.88 C ATOM 44196 C4* G B3123 -838.540 53.186 61.601 1.00850.88 C ATOM 44197 O4* G B3123 -837.800 52.268 62.446 1.00850.88 O ATOM 44198 C3* G B3123 -838.124 54.582 62.049 1.00850.88 C ATOM 44199 O3* G B3123 -839.142 55.544 61.819 1.00850.88 O ATOM 44200 C2* G B3123 -837.835 54.387 63.533 1.00850.88 C ATOM 44201 O2* G B3123 -839.007 54.437 64.323 1.00850.88 O ATOM 44202 C1* G B3123 -837.261 52.972 63.552 1.00850.88 C ATOM 44203 N9 G B3123 -835.806 52.976 63.443 1.00850.88 N ATOM 44204 C8 G B3123 -835.048 52.677 62.338 1.00850.88 C ATOM 44205 N7 G B3123 -833.765 52.794 62.547 1.00850.88 N ATOM 44206 C5 G B3123 -833.671 53.193 63.875 1.00850.88 C ATOM 44207 C6 G B3123 -832.532 53.483 64.670 1.00850.88 C ATOM 44208 O6 G B3123 -831.336 53.446 64.357 1.00850.88 O ATOM 44209 N1 G B3123 -832.897 53.851 65.964 1.00850.88 N ATOM 44210 C2 G B3123 -834.186 53.926 66.429 1.00850.88 C ATOM 44211 N2 G B3123 -834.335 54.299 67.707 1.00850.88 N ATOM 44212 N3 G B3123 -835.251 53.664 65.697 1.00850.88 N ATOM 44213 C4 G B3123 -834.926 53.305 64.440 1.00850.88 C ATOM 44214 P G B3124 -838.734 57.076 61.535 1.00850.88 P ATOM 44215 O1P G B3124 -839.990 57.859 61.410 1.00850.88 O ATOM 44216 O2P G B3124 -837.741 57.096 60.428 1.00850.88 O ATOM 44217 O5* G B3124 -837.997 57.531 62.871 1.00850.88 O ATOM 44218 C5* G B3124 -838.747 57.824 64.045 1.00850.88 C ATOM 44219 C4* G B3124 -837.823 58.147 65.196 1.00850.88 C ATOM 44220 O4* G B3124 -836.877 57.064 65.381 1.00850.88 O ATOM 44221 C3* G B3124 -836.951 59.394 65.082 1.00850.88 C ATOM 44222 O3* G B3124 -837.639 60.591 65.408 1.00850.88 O ATOM 44223 C2* G B3124 -835.831 59.094 66.069 1.00850.88 C ATOM 44224 O2* G B3124 -836.184 59.380 67.408 1.00850.88 O ATOM 44225 C1* G B3124 -835.660 57.584 65.891 1.00850.88 C ATOM 44226 N9 G B3124 -834.589 57.291 64.948 1.00850.88 N ATOM 44227 C8 G B3124 -834.673 56.612 63.753 1.00850.88 C ATOM 44228 N7 G B3124 -833.534 56.558 63.118 1.00850.88 N ATOM 44229 C5 G B3124 -832.645 57.230 63.947 1.00850.88 C ATOM 44230 C6 G B3124 -831.262 57.501 63.789 1.00850.88 C ATOM 44231 O6 G B3124 -830.519 57.197 62.850 1.00850.88 O ATOM 44232 N1 G B3124 -830.756 58.207 64.877 1.00850.88 N ATOM 44233 C2 G B3124 -831.483 58.604 65.970 1.00850.88 C ATOM 44234 N2 G B3124 -830.817 59.270 66.922 1.00850.88 N ATOM 44235 N3 G B3124 -832.770 58.363 66.123 1.00850.88 N ATOM 44236 C4 G B3124 -833.283 57.679 65.083 1.00850.88 C ATOM 44237 P G B3125 -837.224 61.962 64.672 1.00850.88 P ATOM 44238 O1P G B3125 -837.693 63.084 65.518 1.00850.88 O ATOM 44239 O2P G B3125 -837.671 61.871 63.259 1.00850.88 O ATOM 44240 O5* G B3125 -835.630 61.949 64.686 1.00850.88 O ATOM 44241 C5* G B3125 -834.903 62.296 65.863 1.00850.88 C ATOM 44242 C4* G B3125 -833.434 62.472 65.539 1.00850.88 C ATOM 44243 O4* G B3125 -832.917 61.259 64.939 1.00850.88 O ATOM 44244 C3* G B3125 -833.038 63.553 64.551 1.00850.88 C ATOM 44245 O3* G B3125 -832.969 64.809 65.209 1.00850.88 O ATOM 44246 C2* G B3125 -831.667 63.090 64.070 1.00850.88 C ATOM 44247 O2* G B3125 -830.621 63.487 64.936 1.00850.88 O ATOM 44248 C1* G B3125 -831.814 61.568 64.110 1.00850.88 C ATOM 44249 N9 G B3125 -832.067 60.997 62.793 1.00850.88 N ATOM 44250 C8 G B3125 -833.267 60.972 62.124 1.00850.88 C ATOM 44251 N7 G B3125 -833.188 60.402 60.954 1.00850.88 N ATOM 44252 C5 G B3125 -831.860 60.026 60.842 1.00850.88 C ATOM 44253 C6 G B3125 -831.180 59.365 59.786 1.00850.88 C ATOM 44254 O6 G B3125 -831.629 58.974 58.704 1.00850.88 O ATOM 44255 N1 G B3125 -829.837 59.175 60.087 1.00850.88 N ATOM 44256 C2 G B3125 -829.223 59.565 61.248 1.00850.88 C ATOM 44257 N2 G B3125 -827.918 59.285 61.337 1.00850.88 N ATOM 44258 N3 G B3125 -829.844 60.187 62.239 1.00850.88 N ATOM 44259 C4 G B3125 -831.149 60.379 61.969 1.00850.88 C ATOM 44260 P A B3126 -833.610 66.113 64.524 1.00850.88 P ATOM 44261 O1P A B3126 -835.006 66.224 65.023 1.00850.88 O ATOM 44262 O2P A B3126 -833.357 66.065 63.061 1.00850.88 O ATOM 44263 O5* A B3126 -832.758 67.303 65.147 1.00850.88 O ATOM 44264 C5* A B3126 -832.127 67.143 66.417 1.00850.88 C ATOM 44265 C4* A B3126 -830.622 67.176 66.276 1.00850.88 C ATOM 44266 O4* A B3126 -830.192 66.136 65.360 1.00850.88 O ATOM 44267 C3* A B3126 -830.043 68.480 65.753 1.00850.88 C ATOM 44268 O3* A B3126 -828.727 68.680 66.281 1.00850.88 O ATOM 44269 C2* A B3126 -829.798 68.174 64.280 1.00850.88 C ATOM 44270 O2* A B3126 -828.740 68.949 63.755 1.00850.88 O ATOM 44271 C1* A B3126 -829.370 66.716 64.375 1.00850.88 C ATOM 44272 N9 A B3126 -829.419 65.910 63.163 1.00850.88 N ATOM 44273 C8 A B3126 -830.143 66.064 62.009 1.00850.88 C ATOM 44274 N7 A B3126 -829.908 65.130 61.118 1.00850.88 N ATOM 44275 C5 A B3126 -828.985 64.306 61.735 1.00850.88 C ATOM 44276 C6 A B3126 -828.343 63.130 61.322 1.00850.88 C ATOM 44277 N6 A B3126 -828.553 62.550 60.155 1.00850.88 N ATOM 44278 N1 A B3126 -827.461 62.567 62.164 1.00850.88 N ATOM 44279 C2 A B3126 -827.247 63.147 63.341 1.00850.88 C ATOM 44280 N3 A B3126 -827.793 64.244 63.847 1.00850.88 N ATOM 44281 C4 A B3126 -828.666 64.781 62.984 1.00850.88 C ATOM 44282 P G B3127 -828.464 69.695 67.516 1.00850.88 P ATOM 44283 O1P G B3127 -829.705 70.457 67.786 1.00850.88 O ATOM 44284 O2P G B3127 -827.213 70.430 67.197 1.00850.88 O ATOM 44285 O5* G B3127 -828.151 68.780 68.793 1.00850.88 O ATOM 44286 C5* G B3127 -826.825 68.278 69.028 1.00850.88 C ATOM 44287 C4* G B3127 -826.484 67.130 68.085 1.00850.88 C ATOM 44288 O4* G B3127 -826.258 67.623 66.744 1.00850.88 O ATOM 44289 C3* G B3127 -825.235 66.295 68.412 1.00850.88 C ATOM 44290 O3* G B3127 -825.434 65.235 69.346 1.00850.88 O ATOM 44291 C2* G B3127 -824.896 65.684 67.068 1.00850.88 C ATOM 44292 O2* G B3127 -825.600 64.482 66.856 1.00850.88 O ATOM 44293 C1* G B3127 -825.323 66.782 66.093 1.00850.88 C ATOM 44294 N9 G B3127 -824.174 67.549 65.654 1.00850.88 N ATOM 44295 C8 G B3127 -823.920 68.880 65.860 1.00850.88 C ATOM 44296 N7 G B3127 -822.752 69.251 65.408 1.00850.88 N ATOM 44297 C5 G B3127 -822.215 68.095 64.859 1.00850.88 C ATOM 44298 C6 G B3127 -820.963 67.867 64.234 1.00850.88 C ATOM 44299 O6 G B3127 -820.039 68.668 64.048 1.00850.88 O ATOM 44300 N1 G B3127 -820.835 66.547 63.810 1.00850.88 N ATOM 44301 C2 G B3127 -821.780 65.572 63.976 1.00850.88 C ATOM 44302 N2 G B3127 -821.475 64.358 63.493 1.00850.88 N ATOM 44303 N3 G B3127 -822.943 65.764 64.568 1.00850.88 N ATOM 44304 C4 G B3127 -823.092 67.044 64.982 1.00850.88 C ATOM 44305 P G B3128 -824.195 64.734 70.248 1.00850.88 P ATOM 44306 O1P G B3128 -824.762 64.052 71.439 1.00850.88 O ATOM 44307 O2P G B3128 -823.280 65.886 70.428 1.00850.88 O ATOM 44308 O5* G B3128 -823.442 63.640 69.359 1.00850.88 O ATOM 44309 C5* G B3128 -823.892 62.291 69.328 1.00850.88 C ATOM 44310 C4* G B3128 -822.800 61.362 68.837 1.00850.88 C ATOM 44311 O4* G B3128 -822.341 61.761 67.519 1.00850.88 O ATOM 44312 C3* G B3128 -821.515 61.211 69.661 1.00850.88 C ATOM 44313 O3* G B3128 -821.640 60.335 70.777 1.00850.88 O ATOM 44314 C2* G B3128 -820.536 60.654 68.631 1.00850.88 C ATOM 44315 O2* G B3128 -820.589 59.255 68.458 1.00850.88 O ATOM 44316 C1* G B3128 -820.994 61.346 67.347 1.00850.88 C ATOM 44317 N9 G B3128 -820.163 62.513 67.089 1.00850.88 N ATOM 44318 C8 G B3128 -820.550 63.829 67.033 1.00850.88 C ATOM 44319 N7 G B3128 -819.552 64.648 66.830 1.00850.88 N ATOM 44320 C5 G B3128 -818.446 63.816 66.735 1.00850.88 C ATOM 44321 C6 G B3128 -817.076 64.126 66.526 1.00850.88 C ATOM 44322 O6 G B3128 -816.551 65.235 66.379 1.00850.88 O ATOM 44323 N1 G B3128 -816.292 62.977 66.497 1.00850.88 N ATOM 44324 C2 G B3128 -816.759 61.695 66.651 1.00850.88 C ATOM 44325 N2 G B3128 -815.844 60.717 66.588 1.00850.88 N ATOM 44326 N3 G B3128 -818.027 61.394 66.855 1.00850.88 N ATOM 44327 C4 G B3128 -818.807 62.497 66.884 1.00850.88 C ATOM 44328 P C B3129 -820.727 60.566 72.076 1.00850.88 P ATOM 44329 O1P C B3129 -820.935 59.408 72.981 1.00850.88 O ATOM 44330 O2P C B3129 -820.981 61.943 72.572 1.00850.88 O ATOM 44331 O5* C B3129 -819.236 60.505 71.518 1.00850.88 O ATOM 44332 C5* C B3129 -818.612 59.254 71.243 1.00850.88 C ATOM 44333 C4* C B3129 -817.110 59.400 71.267 1.00850.88 C ATOM 44334 O4* C B3129 -816.691 60.321 70.225 1.00850.88 O ATOM 44335 C3* C B3129 -816.445 59.959 72.513 1.00850.88 C ATOM 44336 O3* C B3129 -816.307 58.960 73.515 1.00850.88 O ATOM 44337 C2* C B3129 -815.096 60.438 71.992 1.00850.88 C ATOM 44338 O2* C B3129 -814.144 59.395 71.895 1.00850.88 O ATOM 44339 C1* C B3129 -815.463 60.936 70.594 1.00850.88 C ATOM 44340 N1 C B3129 -815.642 62.393 70.570 1.00850.88 N ATOM 44341 C2 C B3129 -814.508 63.207 70.618 1.00850.88 C ATOM 44342 O2 C B3129 -813.391 62.669 70.657 1.00850.88 O ATOM 44343 N3 C B3129 -814.657 64.552 70.623 1.00850.88 N ATOM 44344 C4 C B3129 -815.877 65.087 70.578 1.00850.88 C ATOM 44345 N4 C B3129 -815.977 66.416 70.594 1.00850.88 N ATOM 44346 C5 C B3129 -817.051 64.280 70.521 1.00850.88 C ATOM 44347 C6 C B3129 -816.889 62.951 70.515 1.00850.88 C ATOM 44348 P G B3130 -816.236 59.404 75.057 1.00850.88 P ATOM 44349 O1P G B3130 -815.868 58.206 75.856 1.00850.88 O ATOM 44350 O2P G B3130 -817.480 60.151 75.382 1.00850.88 O ATOM 44351 O5* G B3130 -815.016 60.428 75.100 1.00850.88 O ATOM 44352 C5* G B3130 -813.674 59.957 75.022 1.00850.88 C ATOM 44353 C4* G B3130 -812.705 61.115 75.006 1.00850.88 C ATOM 44354 O4* G B3130 -812.979 61.993 73.881 1.00850.88 O ATOM 44355 C3* G B3130 -812.739 62.030 76.216 1.00850.88 C ATOM 44356 O3* G B3130 -811.996 61.505 77.307 1.00850.88 O ATOM 44357 C2* G B3130 -812.129 63.317 75.670 1.00850.88 C ATOM 44358 O2* G B3130 -810.719 63.274 75.642 1.00850.88 O ATOM 44359 C1* G B3130 -812.675 63.331 74.242 1.00850.88 C ATOM 44360 N9 G B3130 -813.893 64.128 74.157 1.00850.88 N ATOM 44361 C8 G B3130 -815.188 63.672 74.084 1.00850.88 C ATOM 44362 N7 G B3130 -816.068 64.636 74.057 1.00850.88 N ATOM 44363 C5 G B3130 -815.311 65.799 74.105 1.00850.88 C ATOM 44364 C6 G B3130 -815.710 67.161 74.113 1.00850.88 C ATOM 44365 O6 G B3130 -816.852 67.630 74.076 1.00850.88 O ATOM 44366 N1 G B3130 -814.612 68.014 74.168 1.00850.88 N ATOM 44367 C2 G B3130 -813.299 67.613 74.215 1.00850.88 C ATOM 44368 N2 G B3130 -812.384 68.590 74.263 1.00850.88 N ATOM 44369 N3 G B3130 -812.915 66.348 74.216 1.00850.88 N ATOM 44370 C4 G B3130 -813.964 65.500 74.159 1.00850.88 C ATOM 44371 P A B3131 -812.488 61.795 78.808 1.00850.88 P ATOM 44372 O1P A B3131 -813.234 60.598 79.269 1.00850.88 O ATOM 44373 O2P A B3131 -813.159 63.123 78.817 1.00850.88 O ATOM 44374 O5* A B3131 -811.142 61.912 79.646 1.00850.88 O ATOM 44375 C5* A B3131 -810.504 63.173 79.839 1.00850.88 C ATOM 44376 C4* A B3131 -810.221 63.395 81.304 1.00850.88 C ATOM 44377 O4* A B3131 -809.281 64.488 81.449 1.00850.88 O ATOM 44378 C3* A B3131 -811.432 63.748 82.168 1.00850.88 C ATOM 44379 O3* A B3131 -811.318 63.131 83.444 1.00850.88 O ATOM 44380 C2* A B3131 -811.320 65.262 82.332 1.00850.88 C ATOM 44381 O2* A B3131 -811.880 65.733 83.542 1.00850.88 O ATOM 44382 C1* A B3131 -809.807 65.456 82.332 1.00850.88 C ATOM 44383 N9 A B3131 -809.374 66.781 81.877 1.00850.88 N ATOM 44384 C8 A B3131 -808.464 67.607 82.490 1.00850.88 C ATOM 44385 N7 A B3131 -808.263 68.734 81.853 1.00850.88 N ATOM 44386 C5 A B3131 -809.093 68.645 80.746 1.00850.88 C ATOM 44387 C6 A B3131 -809.340 69.521 79.678 1.00850.88 C ATOM 44388 N6 A B3131 -808.744 70.709 79.542 1.00850.88 N ATOM 44389 N1 A B3131 -810.231 69.134 78.739 1.00850.88 N ATOM 44390 C2 A B3131 -810.829 67.942 78.876 1.00850.88 C ATOM 44391 N3 A B3131 -810.679 67.032 79.832 1.00850.88 N ATOM 44392 C4 A B3131 -809.788 67.447 80.750 1.00850.88 C ATOM 44393 P A B3132 -812.479 62.149 83.968 1.00850.88 P ATOM 44394 O1P A B3132 -813.726 62.501 83.247 1.00850.88 O ATOM 44395 O2P A B3132 -812.457 62.174 85.453 1.00850.88 O ATOM 44396 O5* A B3132 -812.002 60.707 83.483 1.00850.88 O ATOM 44397 C5* A B3132 -810.855 60.087 84.059 1.00850.88 C ATOM 44398 C4* A B3132 -810.672 58.692 83.505 1.00850.88 C ATOM 44399 O4* A B3132 -811.784 57.852 83.912 1.00850.88 O ATOM 44400 C3* A B3132 -810.592 58.604 81.992 1.00850.88 C ATOM 44401 O3* A B3132 -809.705 57.560 81.594 1.00850.88 O ATOM 44402 C2* A B3132 -811.998 58.171 81.599 1.00850.88 C ATOM 44403 O2* A B3132 -812.036 57.444 80.386 1.00850.88 O ATOM 44404 C1* A B3132 -812.361 57.263 82.767 1.00850.88 C ATOM 44405 N9 A B3132 -813.790 57.065 82.998 1.00850.88 N ATOM 44406 C8 A B3132 -814.808 57.983 83.057 1.00850.88 C ATOM 44407 N7 A B3132 -815.987 57.446 83.271 1.00850.88 N ATOM 44408 C5 A B3132 -815.724 56.085 83.363 1.00850.88 C ATOM 44409 C6 A B3132 -816.552 54.971 83.578 1.00850.88 C ATOM 44410 N6 A B3132 -817.873 55.047 83.755 1.00850.88 N ATOM 44411 N1 A B3132 -815.967 53.751 83.615 1.00850.88 N ATOM 44412 C2 A B3132 -814.642 53.672 83.439 1.00850.88 C ATOM 44413 N3 A B3132 -813.761 54.643 83.224 1.00850.88 N ATOM 44414 C4 A B3132 -814.373 55.839 83.196 1.00850.88 C ATOM 44415 P G B3133 -808.519 57.867 80.557 1.00850.88 P ATOM 44416 O1P G B3133 -808.425 56.699 79.642 1.00850.88 O ATOM 44417 O2P G B3133 -807.323 58.290 81.330 1.00850.88 O ATOM 44418 O5* G B3133 -809.043 59.113 79.720 1.00850.88 O ATOM 44419 C5* G B3133 -809.984 58.950 78.662 1.00850.88 C ATOM 44420 C4* G B3133 -809.446 59.586 77.405 1.00850.88 C ATOM 44421 O4* G B3133 -808.880 60.874 77.766 1.00850.88 O ATOM 44422 C3* G B3133 -808.325 58.796 76.749 1.00850.88 C ATOM 44423 O3* G B3133 -808.366 58.958 75.340 1.00850.88 O ATOM 44424 C2* G B3133 -807.064 59.441 77.311 1.00850.88 C ATOM 44425 O2* G B3133 -805.955 59.346 76.441 1.00850.88 O ATOM 44426 C1* G B3133 -807.500 60.892 77.482 1.00850.88 C ATOM 44427 N9 G B3133 -806.822 61.558 78.589 1.00850.88 N ATOM 44428 C8 G B3133 -806.663 61.078 79.867 1.00850.88 C ATOM 44429 N7 G B3133 -806.007 61.900 80.643 1.00850.88 N ATOM 44430 C5 G B3133 -805.720 62.985 79.828 1.00850.88 C ATOM 44431 C6 G B3133 -805.026 64.189 80.112 1.00850.88 C ATOM 44432 O6 G B3133 -804.510 64.548 81.179 1.00850.88 O ATOM 44433 N1 G B3133 -804.965 65.017 78.998 1.00850.88 N ATOM 44434 C2 G B3133 -805.498 64.725 77.765 1.00850.88 C ATOM 44435 N2 G B3133 -805.333 65.657 76.816 1.00850.88 N ATOM 44436 N3 G B3133 -806.146 63.608 77.487 1.00850.88 N ATOM 44437 C4 G B3133 -806.218 62.790 78.558 1.00850.88 C ATOM 44438 P A B3134 -808.886 57.757 74.408 1.00850.88 P ATOM 44439 O1P A B3134 -810.358 57.657 74.584 1.00850.88 O ATOM 44440 O2P A B3134 -808.037 56.568 74.663 1.00850.88 O ATOM 44441 O5* A B3134 -808.592 58.271 72.930 1.00850.88 O ATOM 44442 C5* A B3134 -809.436 57.902 71.840 1.00850.88 C ATOM 44443 C4* A B3134 -809.653 59.086 70.927 1.00850.88 C ATOM 44444 O4* A B3134 -809.978 60.261 71.715 1.00850.88 O ATOM 44445 C3* A B3134 -808.464 59.504 70.087 1.00850.88 C ATOM 44446 O3* A B3134 -808.383 58.717 68.907 1.00850.88 O ATOM 44447 C2* A B3134 -808.748 60.975 69.812 1.00850.88 C ATOM 44448 O2* A B3134 -809.652 61.169 68.745 1.00850.88 O ATOM 44449 C1* A B3134 -809.392 61.411 71.128 1.00850.88 C ATOM 44450 N9 A B3134 -808.391 61.907 72.067 1.00850.88 N ATOM 44451 C8 A B3134 -807.979 61.272 73.211 1.00850.88 C ATOM 44452 N7 A B3134 -807.043 61.908 73.861 1.00850.88 N ATOM 44453 C5 A B3134 -806.823 63.048 73.104 1.00850.88 C ATOM 44454 C6 A B3134 -805.945 64.123 73.268 1.00850.88 C ATOM 44455 N6 A B3134 -805.096 64.214 74.299 1.00850.88 N ATOM 44456 N1 A B3134 -805.968 65.100 72.336 1.00850.88 N ATOM 44457 C2 A B3134 -806.827 64.986 71.312 1.00850.88 C ATOM 44458 N3 A B3134 -807.702 64.019 71.048 1.00850.88 N ATOM 44459 C4 A B3134 -807.650 63.064 71.994 1.00850.88 C ATOM 44460 P A B3135 -806.944 58.396 68.271 1.00850.88 P ATOM 44461 O1P A B3135 -806.949 56.977 67.840 1.00850.88 O ATOM 44462 O2P A B3135 -805.901 58.870 69.222 1.00850.88 O ATOM 44463 O5* A B3135 -806.887 59.317 66.972 1.00850.88 O ATOM 44464 C5* A B3135 -807.880 59.198 65.958 1.00850.88 C ATOM 44465 C4* A B3135 -807.533 60.069 64.775 1.00850.88 C ATOM 44466 O4* A B3135 -807.213 61.419 65.208 1.00850.88 O ATOM 44467 C3* A B3135 -806.358 59.649 63.913 1.00850.88 C ATOM 44468 O3* A B3135 -806.779 58.652 62.989 1.00850.88 O ATOM 44469 C2* A B3135 -805.952 60.953 63.239 1.00850.88 C ATOM 44470 O2* A B3135 -806.737 61.246 62.100 1.00850.88 O ATOM 44471 C1* A B3135 -806.247 61.980 64.336 1.00850.88 C ATOM 44472 N9 A B3135 -805.057 62.317 65.117 1.00850.88 N ATOM 44473 C8 A B3135 -804.512 61.624 66.168 1.00850.88 C ATOM 44474 N7 A B3135 -803.422 62.167 66.653 1.00850.88 N ATOM 44475 C5 A B3135 -803.239 63.303 65.874 1.00850.88 C ATOM 44476 C6 A B3135 -802.258 64.308 65.883 1.00850.88 C ATOM 44477 N6 A B3135 -801.232 64.336 66.733 1.00850.88 N ATOM 44478 N1 A B3135 -802.371 65.303 64.973 1.00850.88 N ATOM 44479 C2 A B3135 -803.402 65.273 64.118 1.00850.88 C ATOM 44480 N3 A B3135 -804.384 64.380 64.009 1.00850.88 N ATOM 44481 C4 A B3135 -804.242 63.408 64.928 1.00850.88 C ATOM 44482 P C B3136 -805.685 57.688 62.322 1.00850.88 P ATOM 44483 O1P C B3136 -805.895 57.709 60.853 1.00850.88 O ATOM 44484 O2P C B3136 -805.691 56.393 63.048 1.00850.88 O ATOM 44485 O5* C B3136 -804.311 58.426 62.635 1.00850.88 O ATOM 44486 C5* C B3136 -803.486 58.902 61.579 1.00850.88 C ATOM 44487 C4* C B3136 -802.132 59.289 62.113 1.00850.88 C ATOM 44488 O4* C B3136 -802.287 60.113 63.299 1.00850.88 O ATOM 44489 C3* C B3136 -801.213 58.184 62.561 1.00850.88 C ATOM 44490 O3* C B3136 -800.567 57.638 61.423 1.00850.88 O ATOM 44491 C2* C B3136 -800.251 58.893 63.507 1.00850.88 C ATOM 44492 O2* C B3136 -799.196 59.537 62.820 1.00850.88 O ATOM 44493 C1* C B3136 -801.163 59.940 64.149 1.00850.88 C ATOM 44494 N1 C B3136 -801.651 59.517 65.469 1.00850.88 N ATOM 44495 C2 C B3136 -801.076 60.074 66.614 1.00850.88 C ATOM 44496 O2 C B3136 -800.176 60.912 66.484 1.00850.88 O ATOM 44497 N3 C B3136 -801.516 59.685 67.834 1.00850.88 N ATOM 44498 C4 C B3136 -802.491 58.777 67.930 1.00850.88 C ATOM 44499 N4 C B3136 -802.894 58.422 69.153 1.00850.88 N ATOM 44500 C5 C B3136 -803.093 58.190 66.781 1.00850.88 C ATOM 44501 C6 C B3136 -802.651 58.588 65.583 1.00850.88 C ATOM 44502 P C B3137 -800.213 56.070 61.399 1.00850.88 P ATOM 44503 O1P C B3137 -799.761 55.733 60.025 1.00850.88 O ATOM 44504 O2P C B3137 -801.347 55.327 62.004 1.00850.88 O ATOM 44505 O5* C B3137 -798.962 55.955 62.379 1.00850.88 O ATOM 44506 C5* C B3137 -797.663 56.339 61.942 1.00850.88 C ATOM 44507 C4* C B3137 -796.663 56.181 63.060 1.00850.88 C ATOM 44508 O4* C B3137 -797.141 56.851 64.253 1.00850.88 O ATOM 44509 C3* C B3137 -796.360 54.763 63.504 1.00850.88 C ATOM 44510 O3* C B3137 -795.370 54.186 62.667 1.00850.88 O ATOM 44511 C2* C B3137 -795.864 54.961 64.931 1.00850.88 C ATOM 44512 O2* C B3137 -794.501 55.334 64.979 1.00850.88 O ATOM 44513 C1* C B3137 -796.728 56.130 65.404 1.00850.88 C ATOM 44514 N1 C B3137 -797.929 55.676 66.124 1.00850.88 N ATOM 44515 C2 C B3137 -797.804 55.295 67.465 1.00850.88 C ATOM 44516 O2 C B3137 -796.694 55.367 68.008 1.00850.88 O ATOM 44517 N3 C B3137 -798.895 54.859 68.134 1.00850.88 N ATOM 44518 C4 C B3137 -800.075 54.796 67.514 1.00850.88 C ATOM 44519 N4 C B3137 -801.125 54.355 68.213 1.00850.88 N ATOM 44520 C5 C B3137 -800.231 55.182 66.152 1.00850.88 C ATOM 44521 C6 C B3137 -799.144 55.613 65.501 1.00850.88 C ATOM 44522 P C B3138 -795.184 52.592 62.644 1.00850.88 P ATOM 44523 O1P C B3138 -794.118 52.278 61.661 1.00850.88 O ATOM 44524 O2P C B3138 -796.524 51.968 62.497 1.00850.88 O ATOM 44525 O5* C B3138 -794.636 52.255 64.098 1.00850.88 O ATOM 44526 C5* C B3138 -793.286 52.538 64.445 1.00850.88 C ATOM 44527 C4* C B3138 -792.947 51.941 65.791 1.00850.88 C ATOM 44528 O4* C B3138 -793.810 52.505 66.815 1.00850.88 O ATOM 44529 C3* C B3138 -793.125 50.446 65.922 1.00850.88 C ATOM 44530 O3* C B3138 -791.982 49.761 65.431 1.00850.88 O ATOM 44531 C2* C B3138 -793.291 50.259 67.425 1.00850.88 C ATOM 44532 O2* C B3138 -792.053 50.224 68.104 1.00850.88 O ATOM 44533 C1* C B3138 -794.053 51.526 67.815 1.00850.88 C ATOM 44534 N1 C B3138 -795.500 51.284 67.905 1.00850.88 N ATOM 44535 C2 C B3138 -795.996 50.658 69.049 1.00850.88 C ATOM 44536 O2 C B3138 -795.202 50.348 69.953 1.00850.88 O ATOM 44537 N3 C B3138 -797.319 50.405 69.149 1.00850.88 N ATOM 44538 C4 C B3138 -798.142 50.758 68.158 1.00850.88 C ATOM 44539 N4 C B3138 -799.441 50.482 68.298 1.00850.88 N ATOM 44540 C5 C B3138 -797.663 51.407 66.983 1.00850.88 C ATOM 44541 C6 C B3138 -796.349 51.653 66.899 1.00850.88 C ATOM 44542 P U B3139 -792.157 48.315 64.760 1.00850.88 P ATOM 44543 O1P U B3139 -790.802 47.761 64.513 1.00850.88 O ATOM 44544 O2P U B3139 -793.115 48.444 63.631 1.00850.88 O ATOM 44545 O5* U B3139 -792.856 47.445 65.898 1.00850.88 O ATOM 44546 C5* U B3139 -792.142 47.079 67.076 1.00850.88 C ATOM 44547 C4* U B3139 -793.090 46.559 68.132 1.00850.88 C ATOM 44548 O4* U B3139 -794.165 47.512 68.339 1.00850.88 O ATOM 44549 C3* U B3139 -793.834 45.273 67.839 1.00850.88 C ATOM 44550 O3* U B3139 -793.008 44.150 68.105 1.00850.88 O ATOM 44551 C2* U B3139 -795.024 45.337 68.787 1.00850.88 C ATOM 44552 O2* U B3139 -794.714 44.876 70.086 1.00850.88 O ATOM 44553 C1* U B3139 -795.310 46.839 68.830 1.00850.88 C ATOM 44554 N1 U B3139 -796.463 47.205 67.998 1.00850.88 N ATOM 44555 C2 U B3139 -797.691 47.308 68.622 1.00850.88 C ATOM 44556 O2 U B3139 -797.838 47.136 69.821 1.00850.88 O ATOM 44557 N3 U B3139 -798.739 47.625 67.794 1.00850.88 N ATOM 44558 C4 U B3139 -798.685 47.844 66.435 1.00850.88 C ATOM 44559 O4 U B3139 -799.723 48.095 65.820 1.00850.88 O ATOM 44560 C5 U B3139 -797.378 47.732 65.862 1.00850.88 C ATOM 44561 C6 U B3139 -796.337 47.424 66.647 1.00850.88 C ATOM 44562 P G B3140 -793.229 42.786 67.284 1.00850.88 P ATOM 44563 O1P G B3140 -791.920 42.086 67.215 1.00850.88 O ATOM 44564 O2P G B3140 -793.953 43.106 66.028 1.00850.88 O ATOM 44565 O5* G B3140 -794.198 41.933 68.217 1.00850.88 O ATOM 44566 C5* G B3140 -793.672 40.952 69.100 1.00850.88 C ATOM 44567 C4* G B3140 -794.785 40.204 69.791 1.00850.88 C ATOM 44568 O4* G B3140 -795.551 41.109 70.630 1.00850.88 O ATOM 44569 C3* G B3140 -795.827 39.539 68.914 1.00850.88 C ATOM 44570 O3* G B3140 -795.372 38.286 68.429 1.00850.88 O ATOM 44571 C2* G B3140 -797.013 39.397 69.858 1.00850.88 C ATOM 44572 O2* G B3140 -796.910 38.260 70.692 1.00850.88 O ATOM 44573 C1* G B3140 -796.896 40.666 70.700 1.00850.88 C ATOM 44574 N9 G B3140 -797.765 41.717 70.180 1.00850.88 N ATOM 44575 C8 G B3140 -797.460 42.658 69.225 1.00850.88 C ATOM 44576 N7 G B3140 -798.464 43.438 68.938 1.00850.88 N ATOM 44577 C5 G B3140 -799.492 42.995 69.760 1.00850.88 C ATOM 44578 C6 G B3140 -800.832 43.450 69.891 1.00850.88 C ATOM 44579 O6 G B3140 -801.397 44.368 69.283 1.00850.88 O ATOM 44580 N1 G B3140 -801.528 42.718 70.845 1.00850.88 N ATOM 44581 C2 G B3140 -801.011 41.679 71.577 1.00850.88 C ATOM 44582 N2 G B3140 -801.844 41.097 72.453 1.00850.88 N ATOM 44583 N3 G B3140 -799.770 41.242 71.460 1.00850.88 N ATOM 44584 C4 G B3140 -799.071 41.940 70.538 1.00850.88 C ATOM 44585 P G B3141 -796.022 37.672 67.093 1.00850.88 P ATOM 44586 O1P G B3141 -795.108 36.620 66.590 1.00850.88 O ATOM 44587 O2P G B3141 -796.408 38.798 66.203 1.00850.88 O ATOM 44588 O5* G B3141 -797.359 36.970 67.605 1.00850.88 O ATOM 44589 C5* G B3141 -797.305 35.737 68.312 1.00850.88 C ATOM 44590 C4* G B3141 -798.670 35.374 68.851 1.00850.88 C ATOM 44591 O4* G B3141 -799.130 36.414 69.753 1.00850.88 O ATOM 44592 C3* G B3141 -799.783 35.240 67.847 1.00850.88 C ATOM 44593 O3* G B3141 -799.747 33.939 67.275 1.00850.88 O ATOM 44594 C2* G B3141 -801.033 35.457 68.690 1.00850.88 C ATOM 44595 O2* G B3141 -801.443 34.287 69.367 1.00850.88 O ATOM 44596 C1* G B3141 -800.546 36.497 69.697 1.00850.88 C ATOM 44597 N9 G B3141 -800.914 37.835 69.249 1.00850.88 N ATOM 44598 C8 G B3141 -800.144 38.722 68.540 1.00850.88 C ATOM 44599 N7 G B3141 -800.774 39.827 68.247 1.00850.88 N ATOM 44600 C5 G B3141 -802.034 39.664 68.805 1.00850.88 C ATOM 44601 C6 G B3141 -803.160 40.527 68.812 1.00850.88 C ATOM 44602 O6 G B3141 -803.275 41.648 68.300 1.00850.88 O ATOM 44603 N1 G B3141 -804.231 39.965 69.494 1.00850.88 N ATOM 44604 C2 G B3141 -804.228 38.728 70.095 1.00850.88 C ATOM 44605 N2 G B3141 -805.361 38.359 70.708 1.00850.88 N ATOM 44606 N3 G B3141 -803.187 37.915 70.094 1.00850.88 N ATOM 44607 C4 G B3141 -802.134 38.442 69.436 1.00850.88 C ATOM 44608 P C B3142 -799.748 33.785 65.673 1.00850.88 P ATOM 44609 O1P C B3142 -798.642 32.860 65.319 1.00850.88 O ATOM 44610 O2P C B3142 -799.791 35.140 65.067 1.00850.88 O ATOM 44611 O5* C B3142 -801.129 33.054 65.346 1.00850.88 O ATOM 44612 C5* C B3142 -801.226 31.635 65.382 1.00850.88 C ATOM 44613 C4* C B3142 -802.628 31.189 65.027 1.00850.88 C ATOM 44614 O4* C B3142 -803.570 31.718 65.995 1.00850.88 O ATOM 44615 C3* C B3142 -803.130 31.668 63.686 1.00850.88 C ATOM 44616 O3* C B3142 -802.737 30.743 62.680 1.00850.88 O ATOM 44617 C2* C B3142 -804.641 31.698 63.869 1.00850.88 C ATOM 44618 O2* C B3142 -805.245 30.432 63.669 1.00850.88 O ATOM 44619 C1* C B3142 -804.767 32.104 65.337 1.00850.88 C ATOM 44620 N1 C B3142 -804.919 33.562 65.458 1.00850.88 N ATOM 44621 C2 C B3142 -806.136 34.134 65.090 1.00850.88 C ATOM 44622 O2 C B3142 -807.060 33.389 64.737 1.00850.88 O ATOM 44623 N3 C B3142 -806.277 35.481 65.140 1.00850.88 N ATOM 44624 C4 C B3142 -805.255 36.242 65.543 1.00850.88 C ATOM 44625 N4 C B3142 -805.432 37.565 65.555 1.00850.88 N ATOM 44626 C5 C B3142 -804.011 35.679 65.946 1.00850.88 C ATOM 44627 C6 C B3142 -803.885 34.348 65.891 1.00850.88 C ATOM 44628 P U B3143 -801.739 31.226 61.516 1.00850.88 P ATOM 44629 O1P U B3143 -801.387 30.035 60.701 1.00850.88 O ATOM 44630 O2P U B3143 -800.662 32.033 62.141 1.00850.88 O ATOM 44631 O5* U B3143 -802.632 32.197 60.624 1.00850.88 O ATOM 44632 C5* U B3143 -803.916 31.784 60.163 1.00850.88 C ATOM 44633 C4* U B3143 -804.522 32.835 59.257 1.00850.88 C ATOM 44634 O4* U B3143 -804.404 34.146 59.866 1.00850.88 O ATOM 44635 C3* U B3143 -803.905 32.997 57.887 1.00850.88 C ATOM 44636 O3* U B3143 -804.447 32.040 56.985 1.00850.88 O ATOM 44637 C2* U B3143 -804.311 34.416 57.498 1.00850.88 C ATOM 44638 O2* U B3143 -805.612 34.480 56.952 1.00850.88 O ATOM 44639 C1* U B3143 -804.286 35.133 58.851 1.00850.88 C ATOM 44640 N1 U B3143 -803.032 35.874 59.050 1.00850.88 N ATOM 44641 C2 U B3143 -802.975 37.166 58.564 1.00850.88 C ATOM 44642 O2 U B3143 -803.921 37.708 58.012 1.00850.88 O ATOM 44643 N3 U B3143 -801.777 37.804 58.752 1.00850.88 N ATOM 44644 C4 U B3143 -800.653 37.291 59.364 1.00850.88 C ATOM 44645 O4 U B3143 -799.632 37.980 59.431 1.00850.88 O ATOM 44646 C5 U B3143 -800.796 35.954 59.850 1.00850.88 C ATOM 44647 C6 U B3143 -801.954 35.308 59.682 1.00850.88 C ATOM 44648 P A B3146 -803.488 31.332 55.910 1.00850.88 P ATOM 44649 O1P A B3146 -803.235 29.950 56.393 1.00850.88 O ATOM 44650 O2P A B3146 -802.342 32.230 55.625 1.00850.88 O ATOM 44651 O5* A B3146 -804.395 31.239 54.607 1.00850.88 O ATOM 44652 C5* A B3146 -803.858 30.855 53.342 1.00850.88 C ATOM 44653 C4* A B3146 -804.945 30.912 52.297 1.00850.88 C ATOM 44654 O4* A B3146 -806.008 30.024 52.732 1.00850.88 O ATOM 44655 C3* A B3146 -805.654 32.241 52.049 1.00850.88 C ATOM 44656 O3* A B3146 -804.844 33.044 51.187 1.00850.88 O ATOM 44657 C2* A B3146 -807.027 31.815 51.535 1.00850.88 C ATOM 44658 O2* A B3146 -807.088 31.537 50.153 1.00850.88 O ATOM 44659 C1* A B3146 -807.266 30.524 52.319 1.00850.88 C ATOM 44660 N9 A B3146 -808.080 30.673 53.523 1.00850.88 N ATOM 44661 C8 A B3146 -807.728 30.404 54.824 1.00850.88 C ATOM 44662 N7 A B3146 -808.698 30.590 55.684 1.00850.88 N ATOM 44663 C5 A B3146 -809.760 31.020 54.901 1.00850.88 C ATOM 44664 C6 A B3146 -811.084 31.380 55.213 1.00850.88 C ATOM 44665 N6 A B3146 -811.586 31.354 56.449 1.00850.88 N ATOM 44666 N1 A B3146 -811.883 31.767 54.198 1.00850.88 N ATOM 44667 C2 A B3146 -811.383 31.786 52.958 1.00850.88 C ATOM 44668 N3 A B3146 -810.159 31.466 52.536 1.00850.88 N ATOM 44669 C4 A B3146 -809.389 31.088 53.568 1.00850.88 C ATOM 44670 P C B3147 -805.335 34.517 50.741 1.00850.88 P ATOM 44671 O1P C B3147 -806.813 34.526 50.614 1.00850.88 O ATOM 44672 O2P C B3147 -804.499 34.966 49.599 1.00850.88 O ATOM 44673 O5* C B3147 -804.978 35.430 51.994 1.00850.88 O ATOM 44674 C5* C B3147 -805.963 35.745 52.973 1.00850.88 C ATOM 44675 C4* C B3147 -805.610 37.030 53.679 1.00850.88 C ATOM 44676 O4* C B3147 -804.425 36.823 54.492 1.00850.88 O ATOM 44677 C3* C B3147 -805.348 38.285 52.834 1.00850.88 C ATOM 44678 O3* C B3147 -805.891 39.418 53.500 1.00850.88 O ATOM 44679 C2* C B3147 -803.830 38.408 52.856 1.00850.88 C ATOM 44680 O2* C B3147 -803.390 39.747 52.748 1.00850.88 O ATOM 44681 C1* C B3147 -803.492 37.848 54.239 1.00850.88 C ATOM 44682 N1 C B3147 -802.140 37.279 54.327 1.00850.88 N ATOM 44683 C2 C B3147 -801.187 37.942 55.100 1.00850.88 C ATOM 44684 O2 C B3147 -801.510 38.983 55.693 1.00850.88 O ATOM 44685 N3 C B3147 -799.936 37.435 55.183 1.00850.88 N ATOM 44686 C4 C B3147 -799.629 36.311 54.533 1.00850.88 C ATOM 44687 N4 C B3147 -798.380 35.847 54.641 1.00850.88 N ATOM 44688 C5 C B3147 -800.587 35.614 53.739 1.00850.88 C ATOM 44689 C6 C B3147 -801.818 36.127 53.666 1.00850.88 C ATOM 44690 P G B3148 -806.335 40.704 52.652 1.00850.88 P ATOM 44691 O1P G B3148 -806.924 40.236 51.373 1.00850.88 O ATOM 44692 O2P G B3148 -805.206 41.670 52.633 1.00850.88 O ATOM 44693 O5* G B3148 -807.499 41.321 53.540 1.00850.88 O ATOM 44694 C5* G B3148 -807.241 41.767 54.867 1.00850.88 C ATOM 44695 C4* G B3148 -808.534 41.891 55.613 1.00850.88 C ATOM 44696 O4* G B3148 -809.249 40.641 55.577 1.00850.88 O ATOM 44697 C3* G B3148 -808.429 42.230 57.083 1.00850.88 C ATOM 44698 O3* G B3148 -808.245 43.637 57.306 1.00850.88 O ATOM 44699 C2* G B3148 -809.778 41.744 57.617 1.00850.88 C ATOM 44700 O2* G B3148 -810.812 42.683 57.411 1.00850.88 O ATOM 44701 C1* G B3148 -810.086 40.553 56.705 1.00850.88 C ATOM 44702 N9 G B3148 -809.838 39.256 57.313 1.00850.88 N ATOM 44703 C8 G B3148 -810.673 38.168 57.322 1.00850.88 C ATOM 44704 N7 G B3148 -810.151 37.131 57.918 1.00850.88 N ATOM 44705 C5 G B3148 -808.901 37.567 58.330 1.00850.88 C ATOM 44706 C6 G B3148 -807.875 36.886 59.025 1.00850.88 C ATOM 44707 O6 G B3148 -807.862 35.717 59.427 1.00850.88 O ATOM 44708 N1 G B3148 -806.773 37.703 59.245 1.00850.88 N ATOM 44709 C2 G B3148 -806.670 39.014 58.845 1.00850.88 C ATOM 44710 N2 G B3148 -805.528 39.644 59.151 1.00850.88 N ATOM 44711 N3 G B3148 -807.618 39.658 58.191 1.00850.88 N ATOM 44712 C4 G B3148 -808.700 38.880 57.971 1.00850.88 C ATOM 44713 P G B3149 -807.451 44.178 58.615 1.00850.88 P ATOM 44714 O1P G B3149 -807.511 45.663 58.627 1.00850.88 O ATOM 44715 O2P G B3149 -806.134 43.512 58.652 1.00850.88 O ATOM 44716 O5* G B3149 -808.318 43.688 59.858 1.00850.88 O ATOM 44717 C5* G B3149 -809.674 44.098 60.054 1.00850.88 C ATOM 44718 C4* G B3149 -810.342 43.149 60.997 1.00850.88 C ATOM 44719 O4* G B3149 -810.004 41.804 60.564 1.00850.88 O ATOM 44720 C3* G B3149 -809.879 43.170 62.416 1.00850.88 C ATOM 44721 O3* G B3149 -810.518 44.230 63.098 1.00850.88 O ATOM 44722 C2* G B3149 -810.271 41.785 62.909 1.00850.88 C ATOM 44723 O2* G B3149 -811.634 41.650 63.224 1.00850.88 O ATOM 44724 C1* G B3149 -809.932 40.943 61.683 1.00850.88 C ATOM 44725 N9 G B3149 -808.553 40.488 61.802 1.00850.88 N ATOM 44726 C8 G B3149 -807.408 41.207 61.556 1.00850.88 C ATOM 44727 N7 G B3149 -806.321 40.527 61.798 1.00850.88 N ATOM 44728 C5 G B3149 -806.778 39.289 62.213 1.00850.88 C ATOM 44729 C6 G B3149 -806.066 38.136 62.613 1.00850.88 C ATOM 44730 O6 G B3149 -804.840 37.968 62.683 1.00850.88 O ATOM 44731 N1 G B3149 -806.930 37.099 62.954 1.00850.88 N ATOM 44732 C2 G B3149 -808.300 37.166 62.918 1.00850.88 C ATOM 44733 N2 G B3149 -808.966 36.064 63.277 1.00850.88 N ATOM 44734 N3 G B3149 -808.973 38.237 62.551 1.00850.88 N ATOM 44735 C4 G B3149 -808.155 39.252 62.215 1.00850.88 C ATOM 44736 P C B3150 -809.920 44.734 64.498 1.00850.88 P ATOM 44737 O1P C B3150 -810.735 45.896 64.935 1.00850.88 O ATOM 44738 O2P C B3150 -808.464 44.912 64.298 1.00850.88 O ATOM 44739 O5* C B3150 -810.126 43.506 65.502 1.00850.88 O ATOM 44740 C5* C B3150 -811.408 43.161 66.036 1.00850.88 C ATOM 44741 C4* C B3150 -811.252 42.228 67.215 1.00850.88 C ATOM 44742 O4* C B3150 -810.560 41.031 66.779 1.00850.88 O ATOM 44743 C3* C B3150 -810.419 42.762 68.366 1.00850.88 C ATOM 44744 O3* C B3150 -811.224 43.526 69.248 1.00850.88 O ATOM 44745 C2* C B3150 -809.890 41.492 69.020 1.00850.88 C ATOM 44746 O2* C B3150 -810.807 40.915 69.929 1.00850.88 O ATOM 44747 C1* C B3150 -809.708 40.570 67.812 1.00850.88 C ATOM 44748 N1 C B3150 -808.331 40.573 67.294 1.00850.88 N ATOM 44749 C2 C B3150 -807.382 39.732 67.879 1.00850.88 C ATOM 44750 O2 C B3150 -807.721 39.012 68.827 1.00850.88 O ATOM 44751 N3 C B3150 -806.117 39.729 67.400 1.00850.88 N ATOM 44752 C4 C B3150 -805.787 40.524 66.381 1.00850.88 C ATOM 44753 N4 C B3150 -804.532 40.487 65.935 1.00850.88 N ATOM 44754 C5 C B3150 -806.736 41.395 65.767 1.00850.88 C ATOM 44755 C6 C B3150 -807.984 41.387 66.251 1.00850.88 C ATOM 44756 P U B3151 -810.807 45.040 69.586 1.00850.88 P ATOM 44757 O1P U B3151 -811.911 45.645 70.380 1.00850.88 O ATOM 44758 O2P U B3151 -810.370 45.691 68.327 1.00850.88 O ATOM 44759 O5* U B3151 -809.539 44.871 70.535 1.00850.88 O ATOM 44760 C5* U B3151 -809.609 44.049 71.694 1.00850.88 C ATOM 44761 C4* U B3151 -808.398 44.272 72.569 1.00850.88 C ATOM 44762 O4* U B3151 -807.186 43.942 71.842 1.00850.88 O ATOM 44763 C3* U B3151 -808.125 45.671 73.071 1.00850.88 C ATOM 44764 O3* U B3151 -808.941 45.971 74.194 1.00850.88 O ATOM 44765 C2* U B3151 -806.645 45.628 73.437 1.00850.88 C ATOM 44766 O2* U B3151 -806.420 45.111 74.732 1.00850.88 O ATOM 44767 C1* U B3151 -806.094 44.660 72.394 1.00850.88 C ATOM 44768 N1 U B3151 -805.386 45.352 71.307 1.00850.88 N ATOM 44769 C2 U B3151 -804.003 45.265 71.291 1.00850.88 C ATOM 44770 O2 U B3151 -803.369 44.645 72.124 1.00850.88 O ATOM 44771 N3 U B3151 -803.393 45.941 70.261 1.00850.88 N ATOM 44772 C4 U B3151 -804.010 46.671 69.268 1.00850.88 C ATOM 44773 O4 U B3151 -803.323 47.223 68.407 1.00850.88 O ATOM 44774 C5 U B3151 -805.438 46.709 69.353 1.00850.88 C ATOM 44775 C6 U B3151 -806.061 46.064 70.345 1.00850.88 C ATOM 44776 P G B3152 -808.877 47.435 74.846 1.00850.88 P ATOM 44777 O1P G B3152 -810.031 47.580 75.767 1.00850.88 O ATOM 44778 O2P G B3152 -808.681 48.420 73.754 1.00850.88 O ATOM 44779 O5* G B3152 -807.545 47.385 75.716 1.00850.88 O ATOM 44780 C5* G B3152 -806.718 48.534 75.848 1.00850.88 C ATOM 44781 C4* G B3152 -805.334 48.125 76.285 1.00850.88 C ATOM 44782 O4* G B3152 -804.724 47.283 75.272 1.00850.88 O ATOM 44783 C3* G B3152 -804.356 49.261 76.452 1.00850.88 C ATOM 44784 O3* G B3152 -804.531 49.869 77.720 1.00850.88 O ATOM 44785 C2* G B3152 -803.004 48.576 76.288 1.00850.88 C ATOM 44786 O2* G B3152 -802.561 47.953 77.478 1.00850.88 O ATOM 44787 C1* G B3152 -803.326 47.513 75.235 1.00850.88 C ATOM 44788 N9 G B3152 -802.982 47.961 73.891 1.00850.88 N ATOM 44789 C8 G B3152 -803.590 48.957 73.165 1.00850.88 C ATOM 44790 N7 G B3152 -803.039 49.146 71.998 1.00850.88 N ATOM 44791 C5 G B3152 -802.013 48.218 71.946 1.00850.88 C ATOM 44792 C6 G B3152 -801.065 47.950 70.925 1.00850.88 C ATOM 44793 O6 G B3152 -800.940 48.499 69.823 1.00850.88 O ATOM 44794 N1 G B3152 -800.201 46.924 71.286 1.00850.88 N ATOM 44795 C2 G B3152 -800.240 46.239 72.475 1.00850.88 C ATOM 44796 N2 G B3152 -799.318 45.277 72.633 1.00850.88 N ATOM 44797 N3 G B3152 -801.113 46.480 73.435 1.00850.88 N ATOM 44798 C4 G B3152 -801.964 47.474 73.106 1.00850.88 C ATOM 44799 P G B3153 -804.826 51.443 77.801 1.00850.88 P ATOM 44800 O1P G B3153 -805.519 51.704 79.089 1.00850.88 O ATOM 44801 O2P G B3153 -805.463 51.863 76.527 1.00850.88 O ATOM 44802 O5* G B3153 -803.372 52.088 77.873 1.00850.88 O ATOM 44803 C5* G B3153 -802.529 51.833 78.988 1.00850.88 C ATOM 44804 C4* G B3153 -801.105 51.618 78.532 1.00850.88 C ATOM 44805 O4* G B3153 -801.064 50.625 77.476 1.00850.88 O ATOM 44806 C3* G B3153 -800.396 52.797 77.921 1.00850.88 C ATOM 44807 O3* G B3153 -799.921 53.641 78.956 1.00850.88 O ATOM 44808 C2* G B3153 -799.270 52.145 77.133 1.00850.88 C ATOM 44809 O2* G B3153 -798.156 51.821 77.944 1.00850.88 O ATOM 44810 C1* G B3153 -799.944 50.866 76.635 1.00850.88 C ATOM 44811 N9 G B3153 -800.418 51.060 75.271 1.00850.88 N ATOM 44812 C8 G B3153 -801.638 51.550 74.873 1.00850.88 C ATOM 44813 N7 G B3153 -801.743 51.662 73.576 1.00850.88 N ATOM 44814 C5 G B3153 -800.524 51.208 73.090 1.00850.88 C ATOM 44815 C6 G B3153 -800.045 51.103 71.758 1.00850.88 C ATOM 44816 O6 G B3153 -800.616 51.409 70.705 1.00850.88 O ATOM 44817 N1 G B3153 -798.753 50.584 71.720 1.00850.88 N ATOM 44818 C2 G B3153 -798.016 50.220 72.820 1.00850.88 C ATOM 44819 N2 G B3153 -796.791 49.736 72.578 1.00850.88 N ATOM 44820 N3 G B3153 -798.449 50.320 74.067 1.00850.88 N ATOM 44821 C4 G B3153 -799.703 50.818 74.124 1.00850.88 C ATOM 44822 P G B3154 -800.044 55.234 78.787 1.00850.88 P ATOM 44823 O1P G B3154 -799.941 55.845 80.134 1.00850.88 O ATOM 44824 O2P G B3154 -801.234 55.515 77.943 1.00850.88 O ATOM 44825 O5* G B3154 -798.746 55.627 77.954 1.00850.88 O ATOM 44826 C5* G B3154 -797.446 55.331 78.463 1.00850.88 C ATOM 44827 C4* G B3154 -796.501 54.991 77.335 1.00850.88 C ATOM 44828 O4* G B3154 -797.029 53.885 76.562 1.00850.88 O ATOM 44829 C3* G B3154 -796.282 56.101 76.327 1.00850.88 C ATOM 44830 O3* G B3154 -795.277 57.008 76.758 1.00850.88 O ATOM 44831 C2* G B3154 -795.882 55.342 75.070 1.00850.88 C ATOM 44832 O2* G B3154 -794.516 54.975 75.068 1.00850.88 O ATOM 44833 C1* G B3154 -796.751 54.090 75.185 1.00850.88 C ATOM 44834 N9 G B3154 -798.010 54.295 74.479 1.00850.88 N ATOM 44835 C8 G B3154 -799.209 54.723 75.004 1.00850.88 C ATOM 44836 N7 G B3154 -800.141 54.861 74.101 1.00850.88 N ATOM 44837 C5 G B3154 -799.524 54.493 72.912 1.00850.88 C ATOM 44838 C6 G B3154 -800.034 54.448 71.585 1.00850.88 C ATOM 44839 O6 G B3154 -801.165 54.741 71.178 1.00850.88 O ATOM 44840 N1 G B3154 -799.069 54.015 70.683 1.00850.88 N ATOM 44841 C2 G B3154 -797.779 53.669 71.012 1.00850.88 C ATOM 44842 N2 G B3154 -796.996 53.272 70.002 1.00850.88 N ATOM 44843 N3 G B3154 -797.294 53.712 72.240 1.00850.88 N ATOM 44844 C4 G B3154 -798.216 54.131 73.134 1.00850.88 C ATOM 44845 P G B3155 -795.214 58.480 76.111 1.00850.88 P ATOM 44846 O1P G B3155 -794.080 59.201 76.739 1.00850.88 O ATOM 44847 O2P G B3155 -796.579 59.063 76.175 1.00850.88 O ATOM 44848 O5* G B3155 -794.860 58.215 74.581 1.00850.88 O ATOM 44849 C5* G B3155 -793.508 58.216 74.140 1.00850.88 C ATOM 44850 C4* G B3155 -793.426 58.452 72.648 1.00850.88 C ATOM 44851 O4* G B3155 -794.030 57.335 71.939 1.00850.88 O ATOM 44852 C3* G B3155 -794.167 59.676 72.149 1.00850.88 C ATOM 44853 O3* G B3155 -793.360 60.842 72.234 1.00850.88 O ATOM 44854 C2* G B3155 -794.462 59.323 70.699 1.00850.88 C ATOM 44855 O2* G B3155 -793.364 59.583 69.848 1.00850.88 O ATOM 44856 C1* G B3155 -794.703 57.817 70.787 1.00850.88 C ATOM 44857 N9 G B3155 -796.128 57.526 70.918 1.00850.88 N ATOM 44858 C8 G B3155 -796.774 56.945 71.981 1.00850.88 C ATOM 44859 N7 G B3155 -798.065 56.850 71.806 1.00850.88 N ATOM 44860 C5 G B3155 -798.282 57.402 70.547 1.00850.88 C ATOM 44861 C6 G B3155 -799.484 57.576 69.814 1.00850.88 C ATOM 44862 O6 G B3155 -800.638 57.278 70.139 1.00850.88 O ATOM 44863 N1 G B3155 -799.245 58.178 68.581 1.00850.88 N ATOM 44864 C2 G B3155 -798.014 58.558 68.115 1.00850.88 C ATOM 44865 N2 G B3155 -797.987 59.118 66.894 1.00850.88 N ATOM 44866 N3 G B3155 -796.887 58.397 68.786 1.00850.88 N ATOM 44867 C4 G B3155 -797.093 57.815 69.987 1.00850.88 C ATOM 44868 P G B3156 -794.049 62.263 72.544 1.00850.88 P ATOM 44869 O1P G B3156 -793.012 63.311 72.360 1.00850.88 O ATOM 44870 O2P G B3156 -794.757 62.153 73.844 1.00850.88 O ATOM 44871 O5* G B3156 -795.144 62.434 71.397 1.00850.88 O ATOM 44872 C5* G B3156 -794.800 62.972 70.120 1.00850.88 C ATOM 44873 C4* G B3156 -796.036 63.501 69.429 1.00850.88 C ATOM 44874 O4* G B3156 -796.875 62.396 69.012 1.00850.88 O ATOM 44875 C3* G B3156 -796.959 64.387 70.256 1.00850.88 C ATOM 44876 O3* G B3156 -796.512 65.738 70.302 1.00850.88 O ATOM 44877 C2* G B3156 -798.299 64.236 69.543 1.00850.88 C ATOM 44878 O2* G B3156 -798.425 65.086 68.426 1.00850.88 O ATOM 44879 C1* G B3156 -798.238 62.778 69.067 1.00850.88 C ATOM 44880 N9 G B3156 -798.925 61.843 69.953 1.00850.88 N ATOM 44881 C8 G B3156 -798.336 60.909 70.770 1.00850.88 C ATOM 44882 N7 G B3156 -799.200 60.193 71.436 1.00850.88 N ATOM 44883 C5 G B3156 -800.434 60.686 71.039 1.00850.88 C ATOM 44884 C6 G B3156 -801.743 60.295 71.426 1.00850.88 C ATOM 44885 O6 G B3156 -802.082 59.409 72.218 1.00850.88 O ATOM 44886 N1 G B3156 -802.712 61.056 70.783 1.00850.88 N ATOM 44887 C2 G B3156 -802.459 62.062 69.883 1.00850.88 C ATOM 44888 N2 G B3156 -803.536 62.677 69.374 1.00850.88 N ATOM 44889 N3 G B3156 -801.244 62.439 69.514 1.00850.88 N ATOM 44890 C4 G B3156 -800.285 61.710 70.127 1.00850.88 C ATOM 44891 P G B3157 -796.632 66.573 71.669 1.00850.88 P ATOM 44892 O1P G B3157 -796.993 67.967 71.310 1.00850.88 O ATOM 44893 O2P G B3157 -795.418 66.315 72.481 1.00850.88 O ATOM 44894 O5* G B3157 -797.881 65.917 72.414 1.00850.88 O ATOM 44895 C5* G B3157 -798.765 66.711 73.195 1.00850.88 C ATOM 44896 C4* G B3157 -800.198 66.338 72.899 1.00850.88 C ATOM 44897 O4* G B3157 -800.403 64.941 73.225 1.00850.88 O ATOM 44898 C3* G B3157 -801.287 67.066 73.672 1.00850.88 C ATOM 44899 O3* G B3157 -801.575 68.326 73.068 1.00850.88 O ATOM 44900 C2* G B3157 -802.460 66.092 73.606 1.00850.88 C ATOM 44901 O2* G B3157 -803.201 66.206 72.411 1.00850.88 O ATOM 44902 C1* G B3157 -801.742 64.741 73.634 1.00850.88 C ATOM 44903 N9 G B3157 -801.722 64.114 74.951 1.00850.88 N ATOM 44904 C8 G B3157 -801.058 64.554 76.072 1.00850.88 C ATOM 44905 N7 G B3157 -801.216 63.772 77.103 1.00850.88 N ATOM 44906 C5 G B3157 -802.035 62.754 76.637 1.00850.88 C ATOM 44907 C6 G B3157 -802.549 61.610 77.302 1.00850.88 C ATOM 44908 O6 G B3157 -802.373 61.255 78.472 1.00850.88 O ATOM 44909 N1 G B3157 -803.340 60.843 76.451 1.00850.88 N ATOM 44910 C2 G B3157 -803.604 61.133 75.135 1.00850.88 C ATOM 44911 N2 G B3157 -804.392 60.269 74.488 1.00850.88 N ATOM 44912 N3 G B3157 -803.129 62.193 74.502 1.00850.88 N ATOM 44913 C4 G B3157 -802.359 62.954 75.309 1.00850.88 C ATOM 44914 P A B3158 -802.555 69.360 73.805 1.00850.88 P ATOM 44915 O1P A B3158 -801.799 70.623 73.999 1.00850.88 O ATOM 44916 O2P A B3158 -803.164 68.681 74.980 1.00850.88 O ATOM 44917 O5* A B3158 -803.700 69.628 72.731 1.00850.88 O ATOM 44918 C5* A B3158 -803.576 69.139 71.395 1.00850.88 C ATOM 44919 C4* A B3158 -804.935 68.776 70.835 1.00850.88 C ATOM 44920 O4* A B3158 -805.578 67.825 71.723 1.00850.88 O ATOM 44921 C3* A B3158 -805.893 69.935 70.673 1.00850.88 C ATOM 44922 O3* A B3158 -806.761 69.712 69.567 1.00850.88 O ATOM 44923 C2* A B3158 -806.737 69.857 71.941 1.00850.88 C ATOM 44924 O2* A B3158 -808.029 70.402 71.784 1.00850.88 O ATOM 44925 C1* A B3158 -806.813 68.347 72.156 1.00850.88 C ATOM 44926 N9 A B3158 -807.036 67.940 73.541 1.00850.88 N ATOM 44927 C8 A B3158 -806.304 68.245 74.660 1.00850.88 C ATOM 44928 N7 A B3158 -806.782 67.717 75.763 1.00850.88 N ATOM 44929 C5 A B3158 -807.903 67.023 75.336 1.00850.88 C ATOM 44930 C6 A B3158 -808.854 66.247 76.025 1.00850.88 C ATOM 44931 N6 A B3158 -808.826 66.041 77.342 1.00850.88 N ATOM 44932 N1 A B3158 -809.850 65.686 75.301 1.00850.88 N ATOM 44933 C2 A B3158 -809.879 65.898 73.979 1.00850.88 C ATOM 44934 N3 A B3158 -809.048 66.608 73.222 1.00850.88 N ATOM 44935 C4 A B3158 -808.071 67.151 73.970 1.00850.88 C ATOM 44936 P G B3159 -806.564 70.553 68.212 1.00850.88 P ATOM 44937 O1P G B3159 -805.861 71.811 68.562 1.00850.88 O ATOM 44938 O2P G B3159 -807.876 70.613 67.514 1.00850.88 O ATOM 44939 O5* G B3159 -805.573 69.649 67.348 1.00850.88 O ATOM 44940 C5* G B3159 -806.045 68.863 66.255 1.00850.88 C ATOM 44941 C4* G B3159 -806.222 67.422 66.682 1.00850.88 C ATOM 44942 O4* G B3159 -806.822 67.400 68.004 1.00850.88 O ATOM 44943 C3* G B3159 -807.161 66.624 65.833 1.00850.88 C ATOM 44944 O3* G B3159 -806.469 66.084 64.715 1.00850.88 O ATOM 44945 C2* G B3159 -807.670 65.548 66.780 1.00850.88 C ATOM 44946 O2* G B3159 -806.774 64.457 66.891 1.00850.88 O ATOM 44947 C1* G B3159 -807.731 66.317 68.100 1.00850.88 C ATOM 44948 N9 G B3159 -809.064 66.878 68.283 1.00850.88 N ATOM 44949 C8 G B3159 -809.615 67.938 67.606 1.00850.88 C ATOM 44950 N7 G B3159 -810.852 68.172 67.940 1.00850.88 N ATOM 44951 C5 G B3159 -811.137 67.212 68.902 1.00850.88 C ATOM 44952 C6 G B3159 -812.330 66.958 69.626 1.00850.88 C ATOM 44953 O6 G B3159 -813.416 67.547 69.546 1.00850.88 O ATOM 44954 N1 G B3159 -812.175 65.899 70.510 1.00850.88 N ATOM 44955 C2 G B3159 -811.024 65.169 70.676 1.00850.88 C ATOM 44956 N2 G B3159 -811.067 64.183 71.584 1.00850.88 N ATOM 44957 N3 G B3159 -809.907 65.388 70.001 1.00850.88 N ATOM 44958 C4 G B3159 -810.035 66.415 69.138 1.00850.88 C ATOM 44959 P C B3160 -807.256 65.860 63.328 1.00850.88 P ATOM 44960 O1P C B3160 -806.240 65.779 62.248 1.00850.88 O ATOM 44961 O2P C B3160 -808.328 66.883 63.246 1.00850.88 O ATOM 44962 O5* C B3160 -807.953 64.434 63.482 1.00850.88 O ATOM 44963 C5* C B3160 -809.103 64.084 62.710 1.00850.88 C ATOM 44964 C4* C B3160 -809.660 62.752 63.170 1.00850.88 C ATOM 44965 O4* C B3160 -809.763 62.767 64.615 1.00850.88 O ATOM 44966 C3* C B3160 -811.055 62.401 62.675 1.00850.88 C ATOM 44967 O3* C B3160 -810.989 61.706 61.428 1.00850.88 O ATOM 44968 C2* C B3160 -811.583 61.479 63.772 1.00850.88 C ATOM 44969 O2* C B3160 -811.161 60.139 63.596 1.00850.88 O ATOM 44970 C1* C B3160 -810.917 62.054 65.023 1.00850.88 C ATOM 44971 N1 C B3160 -811.794 62.973 65.770 1.00850.88 N ATOM 44972 C2 C B3160 -812.761 62.430 66.623 1.00850.88 C ATOM 44973 O2 C B3160 -812.847 61.197 66.724 1.00850.88 O ATOM 44974 N3 C B3160 -813.578 63.261 67.309 1.00850.88 N ATOM 44975 C4 C B3160 -813.453 64.582 67.173 1.00850.88 C ATOM 44976 N4 C B3160 -814.283 65.361 67.871 1.00850.88 N ATOM 44977 C5 C B3160 -812.471 65.161 66.316 1.00850.88 C ATOM 44978 C6 C B3160 -811.670 64.326 65.643 1.00850.88 C ATOM 44979 P C B3161 -812.245 61.744 60.414 1.00850.88 P ATOM 44980 O1P C B3161 -811.854 60.922 59.239 1.00850.88 O ATOM 44981 O2P C B3161 -812.622 63.168 60.215 1.00850.88 O ATOM 44982 O5* C B3161 -813.426 60.982 61.181 1.00850.88 O ATOM 44983 C5* C B3161 -814.733 60.801 60.587 1.00850.88 C ATOM 44984 C4* C B3161 -815.769 60.496 61.667 1.00850.88 C ATOM 44985 O4* C B3161 -815.601 61.523 62.673 1.00850.88 O ATOM 44986 C3* C B3161 -817.232 60.595 61.238 1.00850.88 C ATOM 44987 O3* C B3161 -817.821 59.303 60.945 1.00850.88 O ATOM 44988 C2* C B3161 -817.926 61.033 62.515 1.00850.88 C ATOM 44989 O2* C B3161 -818.242 59.920 63.321 1.00850.88 O ATOM 44990 C1* C B3161 -816.855 61.881 63.204 1.00850.88 C ATOM 44991 N1 C B3161 -817.055 63.317 62.973 1.00850.88 N ATOM 44992 C2 C B3161 -818.257 63.891 63.371 1.00850.88 C ATOM 44993 O2 C B3161 -819.106 63.171 63.915 1.00850.88 O ATOM 44994 N3 C B3161 -818.467 65.206 63.156 1.00850.88 N ATOM 44995 C4 C B3161 -817.522 65.945 62.571 1.00850.88 C ATOM 44996 N4 C B3161 -817.775 67.239 62.373 1.00850.88 N ATOM 44997 C5 C B3161 -816.276 65.385 62.164 1.00850.88 C ATOM 44998 C6 C B3161 -816.085 64.078 62.382 1.00850.88 C ATOM 44999 P G B3162 -819.084 59.166 59.902 1.00850.88 P ATOM 45000 O1P G B3162 -819.634 57.799 60.097 1.00850.88 O ATOM 45001 O2P G B3162 -818.638 59.581 58.554 1.00850.88 O ATOM 45002 O5* G B3162 -820.309 60.137 60.313 1.00850.88 O ATOM 45003 C5* G B3162 -821.222 60.581 59.266 1.00850.88 C ATOM 45004 C4* G B3162 -822.681 60.728 59.723 1.00850.88 C ATOM 45005 O4* G B3162 -822.815 61.692 60.799 1.00850.88 O ATOM 45006 C3* G B3162 -823.662 61.240 58.659 1.00850.88 C ATOM 45007 O3* G B3162 -824.127 60.230 57.766 1.00850.88 O ATOM 45008 C2* G B3162 -824.799 61.840 59.467 1.00850.88 C ATOM 45009 O2* G B3162 -825.788 60.909 59.852 1.00850.88 O ATOM 45010 C1* G B3162 -824.049 62.391 60.679 1.00850.88 C ATOM 45011 N9 G B3162 -823.734 63.798 60.480 1.00850.88 N ATOM 45012 C8 G B3162 -822.489 64.369 60.588 1.00850.88 C ATOM 45013 N7 G B3162 -822.488 65.648 60.336 1.00850.88 N ATOM 45014 C5 G B3162 -823.812 65.945 60.046 1.00850.88 C ATOM 45015 C6 G B3162 -824.411 67.172 59.698 1.00850.88 C ATOM 45016 O6 G B3162 -823.870 68.278 59.566 1.00850.88 O ATOM 45017 N1 G B3162 -825.781 67.034 59.492 1.00850.88 N ATOM 45018 C2 G B3162 -826.492 65.851 59.595 1.00850.88 C ATOM 45019 N2 G B3162 -827.821 65.914 59.350 1.00850.88 N ATOM 45020 N3 G B3162 -825.941 64.685 59.906 1.00850.88 N ATOM 45021 C4 G B3162 -824.602 64.810 60.127 1.00850.88 C ATOM 45022 P C B3163 -824.404 60.600 56.221 1.00850.88 P ATOM 45023 O1P C B3163 -825.300 59.556 55.659 1.00850.88 O ATOM 45024 O2P C B3163 -823.098 60.869 55.575 1.00850.88 O ATOM 45025 O5* C B3163 -825.215 61.976 56.255 1.00850.88 O ATOM 45026 C5* C B3163 -826.641 61.991 56.291 1.00850.88 C ATOM 45027 C4* C B3163 -827.171 63.347 55.862 1.00850.88 C ATOM 45028 O4* C B3163 -826.623 64.368 56.735 1.00850.88 O ATOM 45029 C3* C B3163 -826.829 63.831 54.466 1.00850.88 C ATOM 45030 O3* C B3163 -827.743 63.320 53.504 1.00850.88 O ATOM 45031 C2* C B3163 -826.961 65.345 54.587 1.00850.88 C ATOM 45032 O2* C B3163 -828.299 65.786 54.448 1.00850.88 O ATOM 45033 C1* C B3163 -826.501 65.585 56.025 1.00850.88 C ATOM 45034 N1 C B3163 -825.104 66.029 56.120 1.00850.88 N ATOM 45035 C2 C B3163 -824.830 67.399 56.160 1.00850.88 C ATOM 45036 O2 C B3163 -825.776 68.200 56.123 1.00850.88 O ATOM 45037 N3 C B3163 -823.546 67.816 56.239 1.00850.88 N ATOM 45038 C4 C B3163 -822.554 66.919 56.281 1.00850.88 C ATOM 45039 N4 C B3163 -821.302 67.370 56.352 1.00850.88 N ATOM 45040 C5 C B3163 -822.807 65.517 56.247 1.00850.88 C ATOM 45041 C6 C B3163 -824.083 65.118 56.167 1.00850.88 C ATOM 45042 P C B3164 -827.202 62.854 52.063 1.00850.88 P ATOM 45043 O1P C B3164 -827.944 61.624 51.686 1.00850.88 O ATOM 45044 O2P C B3164 -825.719 62.830 52.117 1.00850.88 O ATOM 45045 O5* C B3164 -827.653 64.027 51.087 1.00850.88 O ATOM 45046 C5* C B3164 -828.718 63.843 50.159 1.00850.88 C ATOM 45047 C4* C B3164 -828.596 64.835 49.030 1.00850.88 C ATOM 45048 O4* C B3164 -828.618 66.183 49.568 1.00850.88 O ATOM 45049 C3* C B3164 -827.330 64.802 48.219 1.00850.88 C ATOM 45050 O3* C B3164 -827.450 63.786 47.231 1.00850.88 O ATOM 45051 C2* C B3164 -827.256 66.197 47.616 1.00850.88 C ATOM 45052 O2* C B3164 -828.021 66.322 46.431 1.00850.88 O ATOM 45053 C1* C B3164 -827.880 67.049 48.725 1.00850.88 C ATOM 45054 N1 C B3164 -826.872 67.731 49.545 1.00850.88 N ATOM 45055 C2 C B3164 -826.461 69.019 49.184 1.00850.88 C ATOM 45056 O2 C B3164 -826.967 69.548 48.185 1.00850.88 O ATOM 45057 N3 C B3164 -825.523 69.646 49.930 1.00850.88 N ATOM 45058 C4 C B3164 -825.000 69.038 50.995 1.00850.88 C ATOM 45059 N4 C B3164 -824.075 69.694 51.699 1.00850.88 N ATOM 45060 C5 C B3164 -825.406 67.730 51.391 1.00850.88 C ATOM 45061 C6 C B3164 -826.334 67.119 50.646 1.00850.88 C ATOM 45062 P G B3165 -826.597 62.433 47.379 1.00850.88 P ATOM 45063 O1P G B3165 -826.777 61.653 46.129 1.00850.88 O ATOM 45064 O2P G B3165 -826.935 61.815 48.686 1.00850.88 O ATOM 45065 O5* G B3165 -825.087 62.937 47.441 1.00850.88 O ATOM 45066 C5* G B3165 -824.386 63.283 46.253 1.00850.88 C ATOM 45067 C4* G B3165 -823.063 62.554 46.192 1.00850.88 C ATOM 45068 O4* G B3165 -822.342 62.743 47.437 1.00850.88 O ATOM 45069 C3* G B3165 -823.157 61.062 46.048 1.00850.88 C ATOM 45070 O3* G B3165 -823.337 60.733 44.679 1.00850.88 O ATOM 45071 C2* G B3165 -821.824 60.574 46.603 1.00850.88 C ATOM 45072 O2* G B3165 -820.778 60.640 45.655 1.00850.88 O ATOM 45073 C1* G B3165 -821.573 61.585 47.723 1.00850.88 C ATOM 45074 N9 G B3165 -822.010 61.054 49.012 1.00850.88 N ATOM 45075 C8 G B3165 -823.285 60.681 49.368 1.00850.88 C ATOM 45076 N7 G B3165 -823.354 60.202 50.580 1.00850.88 N ATOM 45077 C5 G B3165 -822.050 60.269 51.053 1.00850.88 C ATOM 45078 C6 G B3165 -821.505 59.884 52.305 1.00850.88 C ATOM 45079 O6 G B3165 -822.083 59.389 53.279 1.00850.88 O ATOM 45080 N1 G B3165 -820.136 60.130 52.360 1.00850.88 N ATOM 45081 C2 G B3165 -819.387 60.671 51.345 1.00850.88 C ATOM 45082 N2 G B3165 -818.080 60.835 51.596 1.00850.88 N ATOM 45083 N3 G B3165 -819.883 61.027 50.172 1.00850.88 N ATOM 45084 C4 G B3165 -821.210 60.800 50.096 1.00850.88 C ATOM 45085 P G B3166 -824.773 60.212 44.179 1.00850.88 P ATOM 45086 O1P G B3166 -825.468 61.347 43.527 1.00850.88 O ATOM 45087 O2P G B3166 -825.416 59.512 45.317 1.00850.88 O ATOM 45088 O5* G B3166 -824.422 59.125 43.069 1.00850.88 O ATOM 45089 C5* G B3166 -823.196 59.195 42.347 1.00850.88 C ATOM 45090 C4* G B3166 -822.210 58.173 42.867 1.00850.88 C ATOM 45091 O4* G B3166 -821.945 58.395 44.273 1.00850.88 O ATOM 45092 C3* G B3166 -822.682 56.731 42.759 1.00850.88 C ATOM 45093 O3* G B3166 -822.372 56.181 41.480 1.00850.88 O ATOM 45094 C2* G B3166 -821.912 56.041 43.878 1.00850.88 C ATOM 45095 O2* G B3166 -820.601 55.679 43.487 1.00850.88 O ATOM 45096 C1* G B3166 -821.836 57.143 44.936 1.00850.88 C ATOM 45097 N9 G B3166 -822.897 57.047 45.933 1.00850.88 N ATOM 45098 C8 G B3166 -824.233 56.817 45.704 1.00850.88 C ATOM 45099 N7 G B3166 -824.938 56.777 46.804 1.00850.88 N ATOM 45100 C5 G B3166 -824.014 56.993 47.815 1.00850.88 C ATOM 45101 C6 G B3166 -824.186 57.056 49.225 1.00850.88 C ATOM 45102 O6 G B3166 -825.230 56.930 49.882 1.00850.88 O ATOM 45103 N1 G B3166 -822.981 57.295 49.877 1.00850.88 N ATOM 45104 C2 G B3166 -821.765 57.452 49.257 1.00850.88 C ATOM 45105 N2 G B3166 -820.716 57.673 50.064 1.00850.88 N ATOM 45106 N3 G B3166 -821.592 57.393 47.950 1.00850.88 N ATOM 45107 C4 G B3166 -822.749 57.162 47.295 1.00850.88 C ATOM 45108 P U B3167 -823.513 55.417 40.648 1.00850.88 P ATOM 45109 O1P U B3167 -823.058 55.350 39.235 1.00850.88 O ATOM 45110 O2P U B3167 -824.828 56.032 40.967 1.00850.88 O ATOM 45111 O5* U B3167 -823.497 53.940 41.243 1.00850.88 O ATOM 45112 C5* U B3167 -822.384 53.080 41.027 1.00850.88 C ATOM 45113 C4* U B3167 -822.173 52.184 42.221 1.00850.88 C ATOM 45114 O4* U B3167 -822.234 52.974 43.437 1.00850.88 O ATOM 45115 C3* U B3167 -823.192 51.073 42.423 1.00850.88 C ATOM 45116 O3* U B3167 -822.850 49.930 41.649 1.00850.88 O ATOM 45117 C2* U B3167 -823.104 50.807 43.922 1.00850.88 C ATOM 45118 O2* U B3167 -822.038 49.943 44.259 1.00850.88 O ATOM 45119 C1* U B3167 -822.823 52.206 44.472 1.00850.88 C ATOM 45120 N1 U B3167 -824.044 52.892 44.921 1.00850.88 N ATOM 45121 C2 U B3167 -824.306 52.917 46.275 1.00850.88 C ATOM 45122 O2 U B3167 -823.562 52.411 47.099 1.00850.88 O ATOM 45123 N3 U B3167 -825.465 53.558 46.630 1.00850.88 N ATOM 45124 C4 U B3167 -826.374 54.160 45.784 1.00850.88 C ATOM 45125 O4 U B3167 -827.387 54.679 46.257 1.00850.88 O ATOM 45126 C5 U B3167 -826.029 54.096 44.400 1.00850.88 C ATOM 45127 C6 U B3167 -824.906 53.478 44.023 1.00850.88 C ATOM 45128 P G B3168 -823.963 48.815 41.350 1.00850.88 P ATOM 45129 O1P G B3168 -823.378 47.829 40.406 1.00850.88 O ATOM 45130 O2P G B3168 -825.229 49.506 40.995 1.00850.88 O ATOM 45131 O5* G B3168 -824.165 48.096 42.756 1.00850.88 O ATOM 45132 C5* G B3168 -823.200 47.171 43.239 1.00850.88 C ATOM 45133 C4* G B3168 -823.407 46.914 44.713 1.00850.88 C ATOM 45134 O4* G B3168 -823.412 48.171 45.439 1.00850.88 O ATOM 45135 C3* G B3168 -824.716 46.247 45.088 1.00850.88 C ATOM 45136 O3* G B3168 -824.639 44.838 44.947 1.00850.88 O ATOM 45137 C2* G B3168 -824.905 46.679 46.536 1.00850.88 C ATOM 45138 O2* G B3168 -824.182 45.875 47.445 1.00850.88 O ATOM 45139 C1* G B3168 -824.328 48.097 46.515 1.00850.88 C ATOM 45140 N9 G B3168 -825.383 49.078 46.294 1.00850.88 N ATOM 45141 C8 G B3168 -826.023 49.357 45.113 1.00850.88 C ATOM 45142 N7 G B3168 -826.974 50.240 45.236 1.00850.88 N ATOM 45143 C5 G B3168 -826.953 50.578 46.583 1.00850.88 C ATOM 45144 C6 G B3168 -827.764 51.483 47.314 1.00850.88 C ATOM 45145 O6 G B3168 -828.699 52.181 46.910 1.00850.88 O ATOM 45146 N1 G B3168 -827.397 51.523 48.656 1.00850.88 N ATOM 45147 C2 G B3168 -826.386 50.790 49.223 1.00850.88 C ATOM 45148 N2 G B3168 -826.188 50.974 50.534 1.00850.88 N ATOM 45149 N3 G B3168 -825.625 49.940 48.553 1.00850.88 N ATOM 45150 C4 G B3168 -825.965 49.880 47.245 1.00850.88 C ATOM 45151 P A B3169 -825.928 44.026 44.429 1.00850.88 P ATOM 45152 O1P A B3169 -825.690 42.583 44.696 1.00850.88 O ATOM 45153 O2P A B3169 -826.234 44.476 43.047 1.00850.88 O ATOM 45154 O5* A B3169 -827.102 44.526 45.385 1.00850.88 O ATOM 45155 C5* A B3169 -828.349 44.968 44.851 1.00850.88 C ATOM 45156 C4* A B3169 -829.471 44.599 45.792 1.00850.88 C ATOM 45157 O4* A B3169 -829.545 43.155 45.912 1.00850.88 O ATOM 45158 C3* A B3169 -829.381 45.090 47.225 1.00850.88 C ATOM 45159 O3* A B3169 -829.863 46.428 47.315 1.00850.88 O ATOM 45160 C2* A B3169 -830.255 44.103 47.987 1.00850.88 C ATOM 45161 O2* A B3169 -831.624 44.456 47.959 1.00850.88 O ATOM 45162 C1* A B3169 -830.048 42.811 47.192 1.00850.88 C ATOM 45163 N9 A B3169 -829.111 41.867 47.801 1.00850.88 N ATOM 45164 C8 A B3169 -827.798 41.660 47.462 1.00850.88 C ATOM 45165 N7 A B3169 -827.208 40.724 48.169 1.00850.88 N ATOM 45166 C5 A B3169 -828.199 40.290 49.036 1.00850.88 C ATOM 45167 C6 A B3169 -828.212 39.308 50.041 1.00850.88 C ATOM 45168 N6 A B3169 -827.160 38.547 50.348 1.00850.88 N ATOM 45169 N1 A B3169 -829.362 39.127 50.728 1.00850.88 N ATOM 45170 C2 A B3169 -830.420 39.885 50.415 1.00850.88 C ATOM 45171 N3 A B3169 -830.533 40.837 49.491 1.00850.88 N ATOM 45172 C4 A B3169 -829.376 40.991 48.830 1.00850.88 C ATOM 45173 P A B3170 -828.847 47.657 47.130 1.00850.88 P ATOM 45174 O1P A B3170 -828.750 47.938 45.677 1.00850.88 O ATOM 45175 O2P A B3170 -827.617 47.357 47.904 1.00850.88 O ATOM 45176 O5* A B3170 -829.588 48.883 47.833 1.00850.88 O ATOM 45177 C5* A B3170 -830.922 48.766 48.320 1.00850.88 C ATOM 45178 C4* A B3170 -830.912 48.666 49.827 1.00850.88 C ATOM 45179 O4* A B3170 -830.314 47.404 50.212 1.00850.88 O ATOM 45180 C3* A B3170 -830.104 49.732 50.543 1.00850.88 C ATOM 45181 O3* A B3170 -830.929 50.865 50.799 1.00850.88 O ATOM 45182 C2* A B3170 -829.671 49.038 51.831 1.00850.88 C ATOM 45183 O2* A B3170 -830.652 49.127 52.844 1.00850.88 O ATOM 45184 C1* A B3170 -829.535 47.579 51.379 1.00850.88 C ATOM 45185 N9 A B3170 -828.171 47.152 51.066 1.00850.88 N ATOM 45186 C8 A B3170 -827.048 47.940 51.013 1.00850.88 C ATOM 45187 N7 A B3170 -825.966 47.294 50.659 1.00850.88 N ATOM 45188 C5 A B3170 -826.401 45.989 50.476 1.00850.88 C ATOM 45189 C6 A B3170 -825.734 44.814 50.091 1.00850.88 C ATOM 45190 N6 A B3170 -824.429 44.764 49.801 1.00850.88 N ATOM 45191 N1 A B3170 -826.458 43.678 50.010 1.00850.88 N ATOM 45192 C2 A B3170 -827.766 43.730 50.293 1.00850.88 C ATOM 45193 N3 A B3170 -828.506 44.773 50.662 1.00850.88 N ATOM 45194 C4 A B3170 -827.758 45.884 50.734 1.00850.88 C ATOM 45195 P A B3171 -830.283 52.336 50.848 1.00850.88 P ATOM 45196 O1P A B3171 -831.304 53.241 51.433 1.00850.88 O ATOM 45197 O2P A B3171 -829.720 52.639 49.507 1.00850.88 O ATOM 45198 O5* A B3171 -829.073 52.212 51.881 1.00850.88 O ATOM 45199 C5* A B3171 -829.289 52.212 53.298 1.00850.88 C ATOM 45200 C4* A B3171 -828.245 53.078 53.977 1.00850.88 C ATOM 45201 O4* A B3171 -826.951 52.748 53.434 1.00850.88 O ATOM 45202 C3* A B3171 -828.407 54.574 53.746 1.00850.88 C ATOM 45203 O3* A B3171 -829.217 55.278 54.694 1.00850.88 O ATOM 45204 C2* A B3171 -826.977 55.103 53.859 1.00850.88 C ATOM 45205 O2* A B3171 -826.662 55.587 55.147 1.00850.88 O ATOM 45206 C1* A B3171 -826.120 53.878 53.527 1.00850.88 C ATOM 45207 N9 A B3171 -825.293 53.973 52.327 1.00850.88 N ATOM 45208 C8 A B3171 -825.641 53.962 51.000 1.00850.88 C ATOM 45209 N7 A B3171 -824.616 54.084 50.187 1.00850.88 N ATOM 45210 C5 A B3171 -823.524 54.181 51.042 1.00850.88 C ATOM 45211 C6 A B3171 -822.142 54.333 50.811 1.00850.88 C ATOM 45212 N6 A B3171 -821.589 54.419 49.597 1.00850.88 N ATOM 45213 N1 A B3171 -821.331 54.391 51.889 1.00850.88 N ATOM 45214 C2 A B3171 -821.874 54.306 53.108 1.00850.88 C ATOM 45215 N3 A B3171 -823.148 54.166 53.452 1.00850.88 N ATOM 45216 C4 A B3171 -823.930 54.108 52.358 1.00850.88 C ATOM 45217 P U B3172 -829.540 54.631 56.143 1.00850.88 P ATOM 45218 O1P U B3172 -830.347 53.396 55.968 1.00850.88 O ATOM 45219 O2P U B3172 -830.070 55.727 56.986 1.00850.88 O ATOM 45220 O5* U B3172 -828.117 54.232 56.750 1.00850.88 O ATOM 45221 C5* U B3172 -827.879 52.925 57.286 1.00850.88 C ATOM 45222 C4* U B3172 -826.575 52.880 58.072 1.00850.88 C ATOM 45223 O4* U B3172 -825.462 53.157 57.191 1.00850.88 O ATOM 45224 C3* U B3172 -826.415 53.883 59.207 1.00850.88 C ATOM 45225 O3* U B3172 -827.099 53.622 60.436 1.00850.88 O ATOM 45226 C2* U B3172 -824.889 54.024 59.353 1.00850.88 C ATOM 45227 O2* U B3172 -824.270 53.219 60.334 1.00850.88 O ATOM 45228 C1* U B3172 -824.377 53.631 57.968 1.00850.88 C ATOM 45229 N1 U B3172 -823.650 54.673 57.228 1.00850.88 N ATOM 45230 C2 U B3172 -822.341 54.396 56.900 1.00850.88 C ATOM 45231 O2 U B3172 -821.794 53.352 57.217 1.00850.88 O ATOM 45232 N3 U B3172 -821.698 55.379 56.191 1.00850.88 N ATOM 45233 C4 U B3172 -822.217 56.588 55.790 1.00850.88 C ATOM 45234 O4 U B3172 -821.523 57.345 55.113 1.00850.88 O ATOM 45235 C5 U B3172 -823.579 56.810 56.182 1.00850.88 C ATOM 45236 C6 U B3172 -824.231 55.868 56.873 1.00850.88 C ATOM 45237 P A B3173 -826.766 52.290 61.294 1.00850.88 P ATOM 45238 O1P A B3173 -825.883 51.381 60.523 1.00850.88 O ATOM 45239 O2P A B3173 -828.061 51.775 61.810 1.00850.88 O ATOM 45240 O5* A B3173 -825.951 52.830 62.554 1.00850.88 O ATOM 45241 C5* A B3173 -824.758 52.187 62.997 1.00850.88 C ATOM 45242 C4* A B3173 -823.756 53.227 63.440 1.00850.88 C ATOM 45243 O4* A B3173 -824.007 54.466 62.736 1.00850.88 O ATOM 45244 C3* A B3173 -823.755 53.628 64.910 1.00850.88 C ATOM 45245 O3* A B3173 -823.015 52.694 65.686 1.00850.88 O ATOM 45246 C2* A B3173 -823.115 55.011 64.880 1.00850.88 C ATOM 45247 O2* A B3173 -821.703 54.950 64.870 1.00850.88 O ATOM 45248 C1* A B3173 -823.612 55.562 63.538 1.00850.88 C ATOM 45249 N9 A B3173 -824.749 56.476 63.633 1.00850.88 N ATOM 45250 C8 A B3173 -826.039 56.259 63.221 1.00850.88 C ATOM 45251 N7 A B3173 -826.833 57.286 63.411 1.00850.88 N ATOM 45252 C5 A B3173 -826.015 58.240 63.992 1.00850.88 C ATOM 45253 C6 A B3173 -826.247 59.554 64.431 1.00850.88 C ATOM 45254 N6 A B3173 -827.417 60.182 64.339 1.00850.88 N ATOM 45255 N1 A B3173 -825.219 60.213 64.974 1.00850.88 N ATOM 45256 C2 A B3173 -824.050 59.594 65.060 1.00850.88 C ATOM 45257 N3 A B3173 -823.690 58.386 64.682 1.00850.88 N ATOM 45258 C4 A B3173 -824.733 57.746 64.144 1.00850.88 C ATOM 45259 P C B3174 -823.585 52.214 67.112 1.00850.88 P ATOM 45260 O1P C B3174 -822.414 51.830 67.941 1.00850.88 O ATOM 45261 O2P C B3174 -824.681 51.239 66.888 1.00850.88 O ATOM 45262 O5* C B3174 -824.207 53.533 67.739 1.00850.88 O ATOM 45263 C5* C B3174 -823.539 54.193 68.801 1.00850.88 C ATOM 45264 C4* C B3174 -824.476 55.123 69.525 1.00850.88 C ATOM 45265 O4* C B3174 -824.968 56.138 68.616 1.00850.88 O ATOM 45266 C3* C B3174 -825.708 54.453 70.077 1.00850.88 C ATOM 45267 O3* C B3174 -825.428 53.913 71.357 1.00850.88 O ATOM 45268 C2* C B3174 -826.721 55.594 70.135 1.00850.88 C ATOM 45269 O2* C B3174 -826.588 56.380 71.303 1.00850.88 O ATOM 45270 C1* C B3174 -826.323 56.422 68.911 1.00850.88 C ATOM 45271 N1 C B3174 -827.116 56.079 67.727 1.00850.88 N ATOM 45272 C2 C B3174 -828.098 56.969 67.293 1.00850.88 C ATOM 45273 O2 C B3174 -828.267 58.023 67.920 1.00850.88 O ATOM 45274 N3 C B3174 -828.839 56.651 66.206 1.00850.88 N ATOM 45275 C4 C B3174 -828.619 55.505 65.562 1.00850.88 C ATOM 45276 N4 C B3174 -829.377 55.234 64.497 1.00850.88 N ATOM 45277 C5 C B3174 -827.621 54.583 65.982 1.00850.88 C ATOM 45278 C6 C B3174 -826.896 54.908 67.057 1.00850.88 C ATOM 45279 P C B3175 -825.535 52.330 71.583 1.00850.88 P ATOM 45280 O1P C B3175 -824.821 52.005 72.844 1.00850.88 O ATOM 45281 O2P C B3175 -825.138 51.661 70.319 1.00850.88 O ATOM 45282 O5* C B3175 -827.092 52.100 71.804 1.00850.88 O ATOM 45283 C5* C B3175 -827.702 52.424 73.047 1.00850.88 C ATOM 45284 C4* C B3175 -829.160 52.050 73.020 1.00850.88 C ATOM 45285 O4* C B3175 -829.851 52.828 72.008 1.00850.88 O ATOM 45286 C3* C B3175 -829.430 50.597 72.656 1.00850.88 C ATOM 45287 O3* C B3175 -829.341 49.736 73.785 1.00850.88 O ATOM 45288 C2* C B3175 -830.830 50.654 72.055 1.00850.88 C ATOM 45289 O2* C B3175 -831.847 50.622 73.035 1.00850.88 O ATOM 45290 C1* C B3175 -830.822 52.021 71.369 1.00850.88 C ATOM 45291 N1 C B3175 -830.508 51.970 69.932 1.00850.88 N ATOM 45292 C2 C B3175 -831.508 52.314 69.019 1.00850.88 C ATOM 45293 O2 C B3175 -832.620 52.638 69.453 1.00850.88 O ATOM 45294 N3 C B3175 -831.234 52.289 67.697 1.00850.88 N ATOM 45295 C4 C B3175 -830.017 51.933 67.274 1.00850.88 C ATOM 45296 N4 C B3175 -829.789 51.931 65.957 1.00850.88 N ATOM 45297 C5 C B3175 -828.983 51.566 68.182 1.00850.88 C ATOM 45298 C6 C B3175 -829.268 51.598 69.492 1.00850.88 C ATOM 45299 P A B3176 -828.755 48.256 73.596 1.00850.88 P ATOM 45300 O1P A B3176 -829.022 47.498 74.847 1.00850.88 O ATOM 45301 O2P A B3176 -827.369 48.356 73.081 1.00850.88 O ATOM 45302 O5* A B3176 -829.675 47.654 72.445 1.00850.88 O ATOM 45303 C5* A B3176 -829.324 46.448 71.785 1.00850.88 C ATOM 45304 C4* A B3176 -830.430 46.036 70.846 1.00850.88 C ATOM 45305 O4* A B3176 -830.688 47.090 69.885 1.00850.88 O ATOM 45306 C3* A B3176 -830.152 44.809 70.004 1.00850.88 C ATOM 45307 O3* A B3176 -830.394 43.617 70.735 1.00850.88 O ATOM 45308 C2* A B3176 -831.091 44.997 68.819 1.00850.88 C ATOM 45309 O2* A B3176 -832.411 44.579 69.100 1.00850.88 O ATOM 45310 C1* A B3176 -831.067 46.519 68.644 1.00850.88 C ATOM 45311 N9 A B3176 -830.112 46.965 67.629 1.00850.88 N ATOM 45312 C8 A B3176 -828.976 47.715 67.812 1.00850.88 C ATOM 45313 N7 A B3176 -828.319 47.955 66.704 1.00850.88 N ATOM 45314 C5 A B3176 -829.068 47.320 65.724 1.00850.88 C ATOM 45315 C6 A B3176 -828.904 47.206 64.331 1.00850.88 C ATOM 45316 N6 A B3176 -827.889 47.744 63.654 1.00850.88 N ATOM 45317 N1 A B3176 -829.833 46.500 63.652 1.00850.88 N ATOM 45318 C2 A B3176 -830.852 45.959 64.323 1.00850.88 C ATOM 45319 N3 A B3176 -831.118 46.003 65.627 1.00850.88 N ATOM 45320 C4 A B3176 -830.176 46.706 66.279 1.00850.88 C ATOM 45321 P C B3177 -829.504 42.314 70.443 1.00850.88 P ATOM 45322 O1P C B3177 -830.191 41.155 71.069 1.00850.88 O ATOM 45323 O2P C B3177 -828.093 42.611 70.802 1.00850.88 O ATOM 45324 O5* C B3177 -829.600 42.154 68.867 1.00850.88 O ATOM 45325 C5* C B3177 -830.812 41.728 68.264 1.00850.88 C ATOM 45326 C4* C B3177 -830.577 41.359 66.824 1.00850.88 C ATOM 45327 O4* C B3177 -830.325 42.555 66.040 1.00850.88 O ATOM 45328 C3* C B3177 -829.347 40.523 66.571 1.00850.88 C ATOM 45329 O3* C B3177 -829.656 39.165 66.842 1.00850.88 O ATOM 45330 C2* C B3177 -829.047 40.780 65.101 1.00850.88 C ATOM 45331 O2* C B3177 -829.822 39.966 64.243 1.00850.88 O ATOM 45332 C1* C B3177 -829.473 42.241 64.952 1.00850.88 C ATOM 45333 N1 C B3177 -828.312 43.144 64.987 1.00850.88 N ATOM 45334 C2 C B3177 -827.609 43.375 63.808 1.00850.88 C ATOM 45335 O2 C B3177 -828.002 42.838 62.764 1.00850.88 O ATOM 45336 N3 C B3177 -826.523 44.181 63.832 1.00850.88 N ATOM 45337 C4 C B3177 -826.140 44.749 64.978 1.00850.88 C ATOM 45338 N4 C B3177 -825.055 45.527 64.955 1.00850.88 N ATOM 45339 C5 C B3177 -826.846 44.538 66.195 1.00850.88 C ATOM 45340 C6 C B3177 -827.921 43.739 66.156 1.00850.88 C ATOM 45341 P C B3178 -829.072 38.476 68.165 1.00850.88 P ATOM 45342 O1P C B3178 -829.782 39.060 69.333 1.00850.88 O ATOM 45343 O2P C B3178 -827.589 38.531 68.107 1.00850.88 O ATOM 45344 O5* C B3178 -829.522 36.956 68.014 1.00850.88 O ATOM 45345 C5* C B3178 -830.897 36.623 67.881 1.00850.88 C ATOM 45346 C4* C B3178 -831.183 36.121 66.488 1.00850.88 C ATOM 45347 O4* C B3178 -830.940 37.163 65.510 1.00850.88 O ATOM 45348 C3* C B3178 -830.322 34.964 66.048 1.00850.88 C ATOM 45349 O3* C B3178 -830.870 33.741 66.518 1.00850.88 O ATOM 45350 C2* C B3178 -830.344 35.076 64.529 1.00850.88 C ATOM 45351 O2* C B3178 -831.488 34.477 63.953 1.00850.88 O ATOM 45352 C1* C B3178 -830.393 36.590 64.331 1.00850.88 C ATOM 45353 N1 C B3178 -829.054 37.158 64.111 1.00850.88 N ATOM 45354 C2 C B3178 -828.718 37.610 62.829 1.00850.88 C ATOM 45355 O2 C B3178 -829.566 37.533 61.929 1.00850.88 O ATOM 45356 N3 C B3178 -827.485 38.116 62.608 1.00850.88 N ATOM 45357 C4 C B3178 -826.600 38.179 63.605 1.00850.88 C ATOM 45358 N4 C B3178 -825.392 38.682 63.337 1.00850.88 N ATOM 45359 C5 C B3178 -826.918 37.733 64.920 1.00850.88 C ATOM 45360 C6 C B3178 -828.142 37.235 65.127 1.00850.88 C ATOM 45361 P C B3179 -829.911 32.465 66.665 1.00850.88 P ATOM 45362 O1P C B3179 -830.745 31.287 67.011 1.00850.88 O ATOM 45363 O2P C B3179 -828.765 32.838 67.534 1.00850.88 O ATOM 45364 O5* C B3179 -829.365 32.279 65.182 1.00850.88 O ATOM 45365 C5* C B3179 -828.134 31.629 64.931 1.00850.88 C ATOM 45366 C4* C B3179 -827.860 31.614 63.452 1.00850.88 C ATOM 45367 O4* C B3179 -827.828 32.969 62.937 1.00850.88 O ATOM 45368 C3* C B3179 -826.518 31.033 63.083 1.00850.88 C ATOM 45369 O3* C B3179 -826.605 29.618 63.025 1.00850.88 O ATOM 45370 C2* C B3179 -826.226 31.684 61.737 1.00850.88 C ATOM 45371 O2* C B3179 -826.861 31.020 60.662 1.00850.88 O ATOM 45372 C1* C B3179 -826.842 33.071 61.923 1.00850.88 C ATOM 45373 N1 C B3179 -825.858 34.079 62.338 1.00850.88 N ATOM 45374 C2 C B3179 -825.225 34.840 61.357 1.00850.88 C ATOM 45375 O2 C B3179 -825.528 34.656 60.171 1.00850.88 O ATOM 45376 N3 C B3179 -824.301 35.759 61.723 1.00850.88 N ATOM 45377 C4 C B3179 -824.007 35.932 63.015 1.00850.88 C ATOM 45378 N4 C B3179 -823.087 36.847 63.330 1.00850.88 N ATOM 45379 C5 C B3179 -824.645 35.175 64.038 1.00850.88 C ATOM 45380 C6 C B3179 -825.555 34.267 63.658 1.00850.88 C ATOM 45381 P U B3180 -826.123 28.752 64.276 1.00850.88 P ATOM 45382 O1P U B3180 -826.988 27.552 64.363 1.00850.88 O ATOM 45383 O2P U B3180 -825.981 29.645 65.454 1.00850.88 O ATOM 45384 O5* U B3180 -824.673 28.296 63.834 1.00850.88 O ATOM 45385 C5* U B3180 -824.478 27.046 63.208 1.00850.88 C ATOM 45386 C4* U B3180 -823.104 26.993 62.621 1.00850.88 C ATOM 45387 O4* U B3180 -822.971 27.990 61.567 1.00850.88 O ATOM 45388 C3* U B3180 -821.983 27.307 63.576 1.00850.88 C ATOM 45389 O3* U B3180 -821.702 26.175 64.416 1.00850.88 O ATOM 45390 C2* U B3180 -820.874 27.752 62.630 1.00850.88 C ATOM 45391 O2* U B3180 -820.236 26.675 61.974 1.00850.88 O ATOM 45392 C1* U B3180 -821.672 28.566 61.613 1.00850.88 C ATOM 45393 N1 U B3180 -821.783 29.939 62.126 1.00850.88 N ATOM 45394 C2 U B3180 -820.644 30.729 62.116 1.00850.88 C ATOM 45395 O2 U B3180 -819.593 30.356 61.622 1.00850.88 O ATOM 45396 N3 U B3180 -820.789 31.966 62.704 1.00850.88 N ATOM 45397 C4 U B3180 -821.930 32.478 63.278 1.00850.88 C ATOM 45398 O4 U B3180 -821.874 33.554 63.865 1.00850.88 O ATOM 45399 C5 U B3180 -823.072 31.621 63.207 1.00850.88 C ATOM 45400 C6 U B3180 -822.965 30.416 62.643 1.00850.88 C ATOM 45401 P C B3181 -821.602 26.391 66.036 1.00850.88 P ATOM 45402 O1P C B3181 -820.769 25.293 66.600 1.00850.88 O ATOM 45403 O2P C B3181 -822.940 26.658 66.635 1.00850.88 O ATOM 45404 O5* C B3181 -820.765 27.733 66.228 1.00850.88 O ATOM 45405 C5* C B3181 -819.416 27.809 65.801 1.00850.88 C ATOM 45406 C4* C B3181 -818.831 29.167 66.097 1.00850.88 C ATOM 45407 O4* C B3181 -819.718 30.192 65.569 1.00850.88 O ATOM 45408 C3* C B3181 -818.703 29.552 67.558 1.00850.88 C ATOM 45409 O3* C B3181 -817.459 29.054 68.067 1.00850.88 O ATOM 45410 C2* C B3181 -818.679 31.081 67.523 1.00850.88 C ATOM 45411 O2* C B3181 -817.378 31.578 67.292 1.00850.88 O ATOM 45412 C1* C B3181 -819.542 31.389 66.303 1.00850.88 C ATOM 45413 N1 C B3181 -820.861 31.965 66.635 1.00850.88 N ATOM 45414 C2 C B3181 -820.966 33.352 66.765 1.00850.88 C ATOM 45415 O2 C B3181 -819.951 34.047 66.605 1.00850.88 O ATOM 45416 N3 C B3181 -822.164 33.905 67.058 1.00850.88 N ATOM 45417 C4 C B3181 -823.235 33.128 67.223 1.00850.88 C ATOM 45418 N4 C B3181 -824.397 33.723 67.509 1.00850.88 N ATOM 45419 C5 C B3181 -823.159 31.707 67.103 1.00850.88 C ATOM 45420 C6 C B3181 -821.963 31.173 66.809 1.00850.88 C ATOM 45421 P U B3182 -817.349 28.586 69.607 1.00850.88 P ATOM 45422 O1P U B3182 -816.210 27.636 69.718 1.00850.88 O ATOM 45423 O2P U B3182 -818.695 28.167 70.078 1.00850.88 O ATOM 45424 O5* U B3182 -816.941 29.903 70.411 1.00850.88 O ATOM 45425 C5* U B3182 -815.795 30.664 70.042 1.00850.88 C ATOM 45426 C4* U B3182 -815.567 31.790 71.026 1.00850.88 C ATOM 45427 O4* U B3182 -816.736 32.654 71.025 1.00850.88 O ATOM 45428 C3* U B3182 -815.404 31.433 72.495 1.00850.88 C ATOM 45429 O3* U B3182 -814.067 31.053 72.806 1.00850.88 O ATOM 45430 C2* U B3182 -815.791 32.725 73.210 1.00850.88 C ATOM 45431 O2* U B3182 -814.718 33.638 73.286 1.00850.88 O ATOM 45432 C1* U B3182 -816.869 33.286 72.286 1.00850.88 C ATOM 45433 N1 U B3182 -818.229 33.036 72.789 1.00850.88 N ATOM 45434 C2 U B3182 -819.205 33.961 72.467 1.00850.88 C ATOM 45435 O2 U B3182 -818.984 34.944 71.785 1.00850.88 O ATOM 45436 N3 U B3182 -820.452 33.685 72.978 1.00850.88 N ATOM 45437 C4 U B3182 -820.813 32.603 73.753 1.00850.88 C ATOM 45438 O4 U B3182 -821.977 32.495 74.137 1.00850.88 O ATOM 45439 C5 U B3182 -819.746 31.691 74.036 1.00850.88 C ATOM 45440 C6 U B3182 -818.521 31.934 73.556 1.00850.88 C ATOM 45441 P A B3183 -813.792 29.983 73.976 1.00850.88 P ATOM 45442 O1P A B3183 -812.555 29.245 73.621 1.00850.88 O ATOM 45443 O2P A B3183 -815.051 29.232 74.224 1.00850.88 O ATOM 45444 O5* A B3183 -813.489 30.871 75.266 1.00850.88 O ATOM 45445 C5* A B3183 -812.150 31.181 75.650 1.00850.88 C ATOM 45446 C4* A B3183 -812.133 32.388 76.561 1.00850.88 C ATOM 45447 O4* A B3183 -812.750 33.506 75.871 1.00850.88 O ATOM 45448 C3* A B3183 -812.915 32.316 77.859 1.00850.88 C ATOM 45449 O3* A B3183 -812.166 31.646 78.872 1.00850.88 O ATOM 45450 C2* A B3183 -813.146 33.782 78.203 1.00850.88 C ATOM 45451 O2* A B3183 -812.027 34.359 78.847 1.00850.88 O ATOM 45452 C1* A B3183 -813.316 34.401 76.815 1.00850.88 C ATOM 45453 N9 A B3183 -814.724 34.580 76.467 1.00850.88 N ATOM 45454 C8 A B3183 -815.708 33.620 76.480 1.00850.88 C ATOM 45455 N7 A B3183 -816.890 34.067 76.135 1.00850.88 N ATOM 45456 C5 A B3183 -816.671 35.413 75.872 1.00850.88 C ATOM 45457 C6 A B3183 -817.531 36.444 75.458 1.00850.88 C ATOM 45458 N6 A B3183 -818.833 36.271 75.230 1.00850.88 N ATOM 45459 N1 A B3183 -816.997 37.675 75.285 1.00850.88 N ATOM 45460 C2 A B3183 -815.687 37.842 75.515 1.00850.88 C ATOM 45461 N3 A B3183 -814.777 36.953 75.908 1.00850.88 N ATOM 45462 C4 A B3183 -815.340 35.741 76.070 1.00850.88 C ATOM 45463 P C B3184 -812.816 31.430 80.331 1.00850.88 P ATOM 45464 O1P C B3184 -811.962 30.451 81.053 1.00850.88 O ATOM 45465 O2P C B3184 -814.262 31.140 80.151 1.00850.88 O ATOM 45466 O5* C B3184 -812.683 32.842 81.061 1.00850.88 O ATOM 45467 C5* C B3184 -813.491 33.160 82.195 1.00850.88 C ATOM 45468 C4* C B3184 -813.814 34.641 82.226 1.00850.88 C ATOM 45469 O4* C B3184 -814.591 34.984 81.044 1.00850.88 O ATOM 45470 C3* C B3184 -814.657 35.142 83.374 1.00850.88 C ATOM 45471 O3* C B3184 -813.829 35.420 84.509 1.00850.88 O ATOM 45472 C2* C B3184 -815.276 36.419 82.815 1.00850.88 C ATOM 45473 O2* C B3184 -814.419 37.535 82.923 1.00850.88 O ATOM 45474 C1* C B3184 -815.459 36.066 81.337 1.00850.88 C ATOM 45475 N1 C B3184 -816.841 35.665 81.028 1.00850.88 N ATOM 45476 C2 C B3184 -817.776 36.651 80.674 1.00850.88 C ATOM 45477 O2 C B3184 -817.414 37.838 80.620 1.00850.88 O ATOM 45478 N3 C B3184 -819.050 36.289 80.406 1.00850.88 N ATOM 45479 C4 C B3184 -819.402 35.002 80.474 1.00850.88 C ATOM 45480 N4 C B3184 -820.672 34.685 80.201 1.00850.88 N ATOM 45481 C5 C B3184 -818.472 33.981 80.826 1.00850.88 C ATOM 45482 C6 C B3184 -817.216 34.351 81.093 1.00850.88 C ATOM 45483 P U B3185 -814.327 35.011 85.990 1.00850.88 P ATOM 45484 O1P U B3185 -813.180 34.394 86.696 1.00850.88 O ATOM 45485 O2P U B3185 -815.598 34.250 85.851 1.00850.88 O ATOM 45486 O5* U B3185 -814.662 36.400 86.701 1.00850.88 O ATOM 45487 C5* U B3185 -815.067 37.517 85.924 1.00850.88 C ATOM 45488 C4* U B3185 -815.760 38.566 86.762 1.00850.88 C ATOM 45489 O4* U B3185 -816.068 39.660 85.857 1.00850.88 O ATOM 45490 C3* U B3185 -817.092 38.188 87.339 1.00850.88 C ATOM 45491 O3* U B3185 -816.919 37.549 88.601 1.00850.88 O ATOM 45492 C2* U B3185 -817.779 39.541 87.478 1.00850.88 C ATOM 45493 O2* U B3185 -817.347 40.261 88.617 1.00850.88 O ATOM 45494 C1* U B3185 -817.304 40.248 86.211 1.00850.88 C ATOM 45495 N1 U B3185 -818.224 40.043 85.083 1.00850.88 N ATOM 45496 C2 U B3185 -819.262 40.939 84.914 1.00850.88 C ATOM 45497 O2 U B3185 -819.434 41.897 85.648 1.00850.88 O ATOM 45498 N3 U B3185 -820.091 40.672 83.850 1.00850.88 N ATOM 45499 C4 U B3185 -819.987 39.623 82.957 1.00850.88 C ATOM 45500 O4 U B3185 -820.832 39.494 82.071 1.00850.88 O ATOM 45501 C5 U B3185 -818.883 38.750 83.192 1.00850.88 C ATOM 45502 C6 U B3185 -818.061 38.984 84.217 1.00850.88 C ATOM 45503 P U B3186 -817.663 36.153 88.897 1.00850.88 P ATOM 45504 O1P U B3186 -817.293 35.748 90.277 1.00850.88 O ATOM 45505 O2P U B3186 -817.389 35.235 87.763 1.00850.88 O ATOM 45506 O5* U B3186 -819.218 36.515 88.890 1.00850.88 O ATOM 45507 C5* U B3186 -819.837 37.111 90.027 1.00850.88 C ATOM 45508 C4* U B3186 -821.339 36.912 89.983 1.00850.88 C ATOM 45509 O4* U B3186 -821.860 37.476 88.751 1.00850.88 O ATOM 45510 C3* U B3186 -821.874 35.498 89.952 1.00850.88 C ATOM 45511 O3* U B3186 -821.960 35.007 91.286 1.00850.88 O ATOM 45512 C2* U B3186 -823.269 35.656 89.361 1.00850.88 C ATOM 45513 O2* U B3186 -824.232 35.988 90.340 1.00850.88 O ATOM 45514 C1* U B3186 -823.078 36.835 88.407 1.00850.88 C ATOM 45515 N1 U B3186 -822.996 36.395 87.008 1.00850.88 N ATOM 45516 C2 U B3186 -824.155 35.938 86.412 1.00850.88 C ATOM 45517 O2 U B3186 -825.231 35.910 86.985 1.00850.88 O ATOM 45518 N3 U B3186 -824.010 35.513 85.114 1.00850.88 N ATOM 45519 C4 U B3186 -822.851 35.505 84.369 1.00850.88 C ATOM 45520 O4 U B3186 -822.875 35.071 83.216 1.00850.88 O ATOM 45521 C5 U B3186 -821.698 36.004 85.053 1.00850.88 C ATOM 45522 C6 U B3186 -821.810 36.424 86.319 1.00850.88 C ATOM 45523 P U B3187 -821.938 33.418 91.559 1.00850.88 P ATOM 45524 O1P U B3187 -821.923 33.236 93.031 1.00850.88 O ATOM 45525 O2P U B3187 -820.844 32.841 90.737 1.00850.88 O ATOM 45526 O5* U B3187 -823.327 32.873 90.992 1.00850.88 O ATOM 45527 C5* U B3187 -824.574 33.256 91.581 1.00850.88 C ATOM 45528 C4* U B3187 -825.737 32.786 90.727 1.00850.88 C ATOM 45529 O4* U B3187 -825.544 33.309 89.383 1.00850.88 O ATOM 45530 C3* U B3187 -825.855 31.282 90.544 1.00850.88 C ATOM 45531 O3* U B3187 -826.686 30.724 91.574 1.00850.88 O ATOM 45532 C2* U B3187 -826.541 31.152 89.188 1.00850.88 C ATOM 45533 O2* U B3187 -827.945 31.264 89.283 1.00850.88 O ATOM 45534 C1* U B3187 -825.988 32.359 88.431 1.00850.88 C ATOM 45535 N1 U B3187 -824.860 32.013 87.555 1.00850.88 N ATOM 45536 C2 U B3187 -825.154 31.559 86.285 1.00850.88 C ATOM 45537 O2 U B3187 -826.297 31.455 85.874 1.00850.88 O ATOM 45538 N3 U B3187 -824.064 31.233 85.517 1.00850.88 N ATOM 45539 C4 U B3187 -822.739 31.315 85.880 1.00850.88 C ATOM 45540 O4 U B3187 -821.869 30.972 85.078 1.00850.88 O ATOM 45541 C5 U B3187 -822.514 31.803 87.206 1.00850.88 C ATOM 45542 C6 U B3187 -823.555 32.125 87.980 1.00850.88 C ATOM 45543 P U B3188 -826.247 29.351 92.311 1.00850.88 P ATOM 45544 O1P U B3188 -827.139 29.160 93.483 1.00850.88 O ATOM 45545 O2P U B3188 -824.781 29.371 92.517 1.00850.88 O ATOM 45546 O5* U B3188 -826.591 28.176 91.282 1.00850.88 O ATOM 45547 C5* U B3188 -827.935 27.707 91.119 1.00850.88 C ATOM 45548 C4* U B3188 -828.015 26.682 90.003 1.00850.88 C ATOM 45549 O4* U B3188 -827.596 27.324 88.770 1.00850.88 O ATOM 45550 C3* U B3188 -827.105 25.476 90.115 1.00850.88 C ATOM 45551 O3* U B3188 -827.728 24.444 90.880 1.00850.88 O ATOM 45552 C2* U B3188 -826.927 25.040 88.663 1.00850.88 C ATOM 45553 O2* U B3188 -827.985 24.227 88.197 1.00850.88 O ATOM 45554 C1* U B3188 -826.958 26.381 87.928 1.00850.88 C ATOM 45555 N1 U B3188 -825.608 26.874 87.628 1.00850.88 N ATOM 45556 C2 U B3188 -824.958 26.319 86.548 1.00850.88 C ATOM 45557 O2 U B3188 -825.463 25.460 85.842 1.00850.88 O ATOM 45558 N3 U B3188 -823.693 26.804 86.323 1.00850.88 N ATOM 45559 C4 U B3188 -823.031 27.769 87.055 1.00850.88 C ATOM 45560 O4 U B3188 -821.886 28.090 86.735 1.00850.88 O ATOM 45561 C5 U B3188 -823.779 28.301 88.154 1.00850.88 C ATOM 45562 C6 U B3188 -825.009 27.847 88.394 1.00850.88 C ATOM 45563 P U B3189 -826.836 23.265 91.517 1.00850.88 P ATOM 45564 O1P U B3189 -827.747 22.343 92.245 1.00850.88 O ATOM 45565 O2P U B3189 -825.699 23.890 92.239 1.00850.88 O ATOM 45566 O5* U B3189 -826.246 22.472 90.262 1.00850.88 O ATOM 45567 C5* U B3189 -827.058 21.561 89.518 1.00850.88 C ATOM 45568 C4* U B3189 -826.264 20.952 88.382 1.00850.88 C ATOM 45569 O4* U B3189 -825.837 22.020 87.490 1.00850.88 O ATOM 45570 C3* U B3189 -824.966 20.247 88.742 1.00850.88 C ATOM 45571 O3* U B3189 -825.167 18.894 89.144 1.00850.88 O ATOM 45572 C2* U B3189 -824.164 20.323 87.448 1.00850.88 C ATOM 45573 O2* U B3189 -824.503 19.302 86.532 1.00850.88 O ATOM 45574 C1* U B3189 -824.601 21.680 86.890 1.00850.88 C ATOM 45575 N1 U B3189 -823.632 22.739 87.191 1.00850.88 N ATOM 45576 C2 U B3189 -822.727 23.076 86.205 1.00850.88 C ATOM 45577 O2 U B3189 -822.723 22.547 85.107 1.00850.88 O ATOM 45578 N3 U B3189 -821.828 24.054 86.551 1.00850.88 N ATOM 45579 C4 U B3189 -821.746 24.718 87.758 1.00850.88 C ATOM 45580 O4 U B3189 -820.864 25.560 87.925 1.00850.88 O ATOM 45581 C5 U B3189 -822.725 24.323 88.722 1.00850.88 C ATOM 45582 C6 U B3189 -823.612 23.370 88.414 1.00850.88 C ATOM 45583 P G B3190 -824.050 18.152 90.035 1.00850.88 P ATOM 45584 O1P G B3190 -824.745 17.523 91.183 1.00850.88 O ATOM 45585 O2P G B3190 -822.942 19.110 90.282 1.00850.88 O ATOM 45586 O5* G B3190 -823.500 16.986 89.095 1.00850.88 O ATOM 45587 C5* G B3190 -824.002 15.655 89.211 1.00850.88 C ATOM 45588 C4* G B3190 -822.875 14.648 89.101 1.00850.88 C ATOM 45589 O4* G B3190 -822.490 14.505 87.708 1.00850.88 O ATOM 45590 C3* G B3190 -821.577 14.978 89.827 1.00850.88 C ATOM 45591 O3* G B3190 -821.614 14.592 91.206 1.00850.88 O ATOM 45592 C2* G B3190 -820.544 14.163 89.052 1.00850.88 C ATOM 45593 O2* G B3190 -820.463 12.826 89.502 1.00850.88 O ATOM 45594 C1* G B3190 -821.116 14.175 87.630 1.00850.88 C ATOM 45595 N9 G B3190 -820.462 15.126 86.737 1.00850.88 N ATOM 45596 C8 G B3190 -821.068 16.049 85.917 1.00850.88 C ATOM 45597 N7 G B3190 -820.218 16.764 85.234 1.00850.88 N ATOM 45598 C5 G B3190 -818.975 16.288 85.625 1.00850.88 C ATOM 45599 C6 G B3190 -817.670 16.680 85.221 1.00850.88 C ATOM 45600 O6 G B3190 -817.341 17.557 84.417 1.00850.88 O ATOM 45601 N1 G B3190 -816.690 15.930 85.864 1.00850.88 N ATOM 45602 C2 G B3190 -816.932 14.934 86.778 1.00850.88 C ATOM 45603 N2 G B3190 -815.847 14.324 87.287 1.00850.88 N ATOM 45604 N3 G B3190 -818.140 14.562 87.161 1.00850.88 N ATOM 45605 C4 G B3190 -819.106 15.273 86.550 1.00850.88 C ATOM 45606 P A B3191 -820.936 15.529 92.327 1.00850.88 P ATOM 45607 O1P A B3191 -821.884 15.674 93.462 1.00850.88 O ATOM 45608 O2P A B3191 -820.438 16.738 91.630 1.00850.88 O ATOM 45609 O5* A B3191 -819.678 14.695 92.844 1.00850.88 O ATOM 45610 C5* A B3191 -819.143 13.601 92.094 1.00850.88 C ATOM 45611 C4* A B3191 -817.923 14.054 91.330 1.00850.88 C ATOM 45612 O4* A B3191 -818.239 15.289 90.644 1.00850.88 O ATOM 45613 C3* A B3191 -816.725 14.399 92.200 1.00850.88 C ATOM 45614 O3* A B3191 -815.956 13.244 92.518 1.00850.88 O ATOM 45615 C2* A B3191 -815.969 15.411 91.347 1.00850.88 C ATOM 45616 O2* A B3191 -815.139 14.802 90.377 1.00850.88 O ATOM 45617 C1* A B3191 -817.115 16.152 90.657 1.00850.88 C ATOM 45618 N9 A B3191 -817.515 17.370 91.360 1.00850.88 N ATOM 45619 C8 A B3191 -817.762 17.494 92.706 1.00850.88 C ATOM 45620 N7 A B3191 -818.108 18.705 93.068 1.00850.88 N ATOM 45621 C5 A B3191 -818.091 19.426 91.883 1.00850.88 C ATOM 45622 C6 A B3191 -818.370 20.771 91.592 1.00850.88 C ATOM 45623 N6 A B3191 -818.734 21.666 92.514 1.00850.88 N ATOM 45624 N1 A B3191 -818.256 21.172 90.308 1.00850.88 N ATOM 45625 C2 A B3191 -817.890 20.275 89.387 1.00850.88 C ATOM 45626 N3 A B3191 -817.603 18.981 89.535 1.00850.88 N ATOM 45627 C4 A B3191 -817.725 18.617 90.824 1.00850.88 C ATOM 45628 P C B3192 -816.283 12.417 93.860 1.00850.88 P ATOM 45629 O1P C B3192 -816.962 11.162 93.451 1.00850.88 O ATOM 45630 O2P C B3192 -816.947 13.333 94.822 1.00850.88 O ATOM 45631 O5* C B3192 -814.849 12.034 94.429 1.00850.88 O ATOM 45632 C5* C B3192 -813.930 11.291 93.636 1.00850.88 C ATOM 45633 C4* C B3192 -812.695 12.108 93.344 1.00850.88 C ATOM 45634 O4* C B3192 -813.024 13.202 92.445 1.00850.88 O ATOM 45635 C3* C B3192 -812.110 12.798 94.546 1.00850.88 C ATOM 45636 O3* C B3192 -811.281 11.928 95.307 1.00850.88 O ATOM 45637 C2* C B3192 -811.321 13.947 93.931 1.00850.88 C ATOM 45638 O2* C B3192 -810.045 13.547 93.475 1.00850.88 O ATOM 45639 C1* C B3192 -812.203 14.323 92.741 1.00850.88 C ATOM 45640 N1 C B3192 -813.061 15.464 93.083 1.00850.88 N ATOM 45641 C2 C B3192 -812.908 16.656 92.369 1.00850.88 C ATOM 45642 O2 C B3192 -812.093 16.691 91.436 1.00850.88 O ATOM 45643 N3 C B3192 -813.650 17.733 92.712 1.00850.88 N ATOM 45644 C4 C B3192 -814.522 17.645 93.720 1.00850.88 C ATOM 45645 N4 C B3192 -815.218 18.742 94.036 1.00850.88 N ATOM 45646 C5 C B3192 -814.716 16.438 94.446 1.00850.88 C ATOM 45647 C6 C B3192 -813.976 15.381 94.098 1.00850.88 C ATOM 45648 P G B3193 -811.764 11.462 96.768 1.00850.88 P ATOM 45649 O1P G B3193 -811.146 10.145 97.052 1.00850.88 O ATOM 45650 O2P G B3193 -813.241 11.612 96.832 1.00850.88 O ATOM 45651 O5* G B3193 -811.114 12.543 97.743 1.00850.88 O ATOM 45652 C5* G B3193 -809.709 12.583 97.946 1.00850.88 C ATOM 45653 C4* G B3193 -809.263 13.974 98.330 1.00850.88 C ATOM 45654 O4* G B3193 -809.714 14.932 97.336 1.00850.88 O ATOM 45655 C3* G B3193 -809.817 14.492 99.651 1.00850.88 C ATOM 45656 O3* G B3193 -809.052 14.065 100.773 1.00850.88 O ATOM 45657 C2* G B3193 -809.757 16.004 99.465 1.00850.88 C ATOM 45658 O2* G B3193 -808.467 16.530 99.720 1.00850.88 O ATOM 45659 C1* G B3193 -810.075 16.147 97.976 1.00850.88 C ATOM 45660 N9 G B3193 -811.494 16.395 97.744 1.00850.88 N ATOM 45661 C8 G B3193 -812.447 15.497 97.328 1.00850.88 C ATOM 45662 N7 G B3193 -813.640 16.023 97.228 1.00850.88 N ATOM 45663 C5 G B3193 -813.460 17.351 97.597 1.00850.88 C ATOM 45664 C6 G B3193 -814.397 18.419 97.688 1.00850.88 C ATOM 45665 O6 G B3193 -815.613 18.406 97.448 1.00850.88 O ATOM 45666 N1 G B3193 -813.786 19.596 98.104 1.00850.88 N ATOM 45667 C2 G B3193 -812.450 19.735 98.398 1.00850.88 C ATOM 45668 N2 G B3193 -812.052 20.955 98.781 1.00850.88 N ATOM 45669 N3 G B3193 -811.570 18.751 98.317 1.00850.88 N ATOM 45670 C4 G B3193 -812.141 17.594 97.916 1.00850.88 C ATOM 45671 P U B3194 -809.735 14.029 102.229 1.00850.88 P ATOM 45672 O1P U B3194 -808.745 13.449 103.170 1.00850.88 O ATOM 45673 O2P U B3194 -811.081 13.412 102.101 1.00850.88 O ATOM 45674 O5* U B3194 -809.927 15.566 102.598 1.00850.88 O ATOM 45675 C5* U B3194 -808.798 16.418 102.770 1.00850.88 C ATOM 45676 C4* U B3194 -809.242 17.838 103.024 1.00850.88 C ATOM 45677 O4* U B3194 -810.075 18.303 101.924 1.00850.88 O ATOM 45678 C3* U B3194 -810.142 18.100 104.217 1.00850.88 C ATOM 45679 O3* U B3194 -809.375 18.162 105.413 1.00850.88 O ATOM 45680 C2* U B3194 -810.804 19.434 103.895 1.00850.88 C ATOM 45681 O2* U B3194 -810.014 20.537 104.282 1.00850.88 O ATOM 45682 C1* U B3194 -810.886 19.375 102.369 1.00850.88 C ATOM 45683 N1 U B3194 -812.257 19.159 101.890 1.00850.88 N ATOM 45684 C2 U B3194 -813.076 20.266 101.783 1.00850.88 C ATOM 45685 O2 U B3194 -812.701 21.391 102.062 1.00850.88 O ATOM 45686 N3 U B3194 -814.348 20.004 101.337 1.00850.88 N ATOM 45687 C4 U B3194 -814.875 18.776 100.997 1.00850.88 C ATOM 45688 O4 U B3194 -816.043 18.707 100.610 1.00850.88 O ATOM 45689 C5 U B3194 -813.964 17.680 101.133 1.00850.88 C ATOM 45690 C6 U B3194 -812.718 17.903 101.564 1.00850.88 C ATOM 45691 P U B3195 -810.077 17.822 106.820 1.00850.88 P ATOM 45692 O1P U B3195 -809.010 17.390 107.758 1.00850.88 O ATOM 45693 O2P U B3195 -811.227 16.924 106.556 1.00850.88 O ATOM 45694 O5* U B3195 -810.645 19.224 107.321 1.00850.88 O ATOM 45695 C5* U B3195 -811.624 19.289 108.355 1.00850.88 C ATOM 45696 C4* U B3195 -812.052 20.718 108.599 1.00850.88 C ATOM 45697 O4* U B3195 -812.375 21.342 107.324 1.00850.88 O ATOM 45698 C3* U B3195 -813.301 20.879 109.429 1.00850.88 C ATOM 45699 O3* U B3195 -812.981 20.916 110.817 1.00850.88 O ATOM 45700 C2* U B3195 -813.856 22.220 108.965 1.00850.88 C ATOM 45701 O2* U B3195 -813.237 23.311 109.617 1.00850.88 O ATOM 45702 C1* U B3195 -813.474 22.219 107.486 1.00850.88 C ATOM 45703 N1 U B3195 -814.590 21.741 106.659 1.00850.88 N ATOM 45704 C2 U B3195 -815.546 22.662 106.295 1.00850.88 C ATOM 45705 O2 U B3195 -815.476 23.841 106.599 1.00850.88 O ATOM 45706 N3 U B3195 -816.587 22.159 105.556 1.00850.88 N ATOM 45707 C4 U B3195 -816.762 20.850 105.154 1.00850.88 C ATOM 45708 O4 U B3195 -817.775 20.546 104.521 1.00850.88 O ATOM 45709 C5 U B3195 -815.720 19.958 105.557 1.00850.88 C ATOM 45710 C6 U B3195 -814.693 20.423 106.277 1.00850.88 C ATOM 45711 P G B3196 -813.937 20.171 111.876 1.00850.88 P ATOM 45712 O1P G B3196 -813.301 20.298 113.211 1.00850.88 O ATOM 45713 O2P G B3196 -814.236 18.818 111.335 1.00850.88 O ATOM 45714 O5* G B3196 -815.298 21.013 111.880 1.00850.88 O ATOM 45715 C5* G B3196 -815.337 22.371 112.346 1.00850.88 C ATOM 45716 C4* G B3196 -816.606 23.063 111.867 1.00850.88 C ATOM 45717 O4* G B3196 -816.668 22.944 110.426 1.00850.88 O ATOM 45718 C3* G B3196 -817.954 22.507 112.359 1.00850.88 C ATOM 45719 O3* G B3196 -818.387 23.078 113.611 1.00850.88 O ATOM 45720 C2* G B3196 -818.914 22.928 111.252 1.00850.88 C ATOM 45721 O2* G B3196 -819.395 24.239 111.464 1.00850.88 O ATOM 45722 C1* G B3196 -818.016 22.917 110.009 1.00850.88 C ATOM 45723 N9 G B3196 -818.197 21.770 109.124 1.00850.88 N ATOM 45724 C8 G B3196 -817.256 20.823 108.789 1.00850.88 C ATOM 45725 N7 G B3196 -817.703 19.930 107.951 1.00850.88 N ATOM 45726 C5 G B3196 -819.021 20.303 107.722 1.00850.88 C ATOM 45727 C6 G B3196 -820.017 19.713 106.897 1.00850.88 C ATOM 45728 O6 G B3196 -819.932 18.709 106.178 1.00850.88 O ATOM 45729 N1 G B3196 -821.215 20.415 106.964 1.00850.88 N ATOM 45730 C2 G B3196 -821.432 21.541 107.720 1.00850.88 C ATOM 45731 N2 G B3196 -822.661 22.072 107.650 1.00850.88 N ATOM 45732 N3 G B3196 -820.514 22.099 108.490 1.00850.88 N ATOM 45733 C4 G B3196 -819.342 21.434 108.443 1.00850.88 C ATOM 45734 P U B3197 -819.518 22.348 114.526 1.00850.88 P ATOM 45735 O1P U B3197 -819.728 23.236 115.700 1.00850.88 O ATOM 45736 O2P U B3197 -819.106 20.941 114.739 1.00850.88 O ATOM 45737 O5* U B3197 -820.897 22.355 113.697 1.00850.88 O ATOM 45738 C5* U B3197 -821.621 23.579 113.457 1.00850.88 C ATOM 45739 C4* U B3197 -822.965 23.313 112.764 1.00850.88 C ATOM 45740 O4* U B3197 -822.685 22.706 111.465 1.00850.88 O ATOM 45741 C3* U B3197 -824.000 22.407 113.456 1.00850.88 C ATOM 45742 O3* U B3197 -825.312 22.942 113.184 1.00850.88 O ATOM 45743 C2* U B3197 -823.895 21.099 112.692 1.00850.88 C ATOM 45744 O2* U B3197 -825.123 20.403 112.617 1.00850.88 O ATOM 45745 C1* U B3197 -823.485 21.554 111.300 1.00850.88 C ATOM 45746 N1 U B3197 -822.685 20.482 110.702 1.00850.88 N ATOM 45747 C2 U B3197 -823.300 19.647 109.793 1.00850.88 C ATOM 45748 O2 U B3197 -824.439 19.828 109.398 1.00850.88 O ATOM 45749 N3 U B3197 -822.532 18.593 109.368 1.00850.88 N ATOM 45750 C4 U B3197 -821.233 18.308 109.738 1.00850.88 C ATOM 45751 O4 U B3197 -820.704 17.270 109.339 1.00850.88 O ATOM 45752 C5 U B3197 -820.650 19.253 110.638 1.00850.88 C ATOM 45753 C6 U B3197 -821.377 20.283 111.075 1.00850.88 C ATOM 45754 P A B2181 -826.491 22.416 113.802 1.00855.10 P ATOM 45755 O1P A B2181 -827.173 23.693 114.124 1.00855.10 O ATOM 45756 O2P A B2181 -826.028 21.538 114.914 1.00855.10 O ATOM 45757 O5* A B2181 -827.524 21.548 112.943 1.00855.10 O ATOM 45758 C5* A B2181 -828.891 21.364 113.375 1.00855.10 C ATOM 45759 C4* A B2181 -829.796 21.174 112.172 1.00855.10 C ATOM 45760 O4* A B2181 -829.429 22.191 111.216 1.00855.10 O ATOM 45761 C3* A B2181 -829.682 19.869 111.394 1.00855.10 C ATOM 45762 O3* A B2181 -830.553 18.876 111.935 1.00855.10 O ATOM 45763 C2* A B2181 -830.114 20.273 109.990 1.00855.10 C ATOM 45764 O2* A B2181 -831.518 20.314 109.837 1.00855.10 O ATOM 45765 C1* A B2181 -829.565 21.692 109.905 1.00855.10 C ATOM 45766 N9 A B2181 -828.262 21.847 109.260 1.00855.10 N ATOM 45767 C8 A B2181 -827.062 21.417 109.760 1.00855.10 C ATOM 45768 N7 A B2181 -826.032 21.715 109.010 1.00855.10 N ATOM 45769 C5 A B2181 -826.594 22.383 107.933 1.00855.10 C ATOM 45770 C6 A B2181 -826.027 22.969 106.793 1.00855.10 C ATOM 45771 N6 A B2181 -824.720 22.969 106.535 1.00855.10 N ATOM 45772 N1 A B2181 -826.861 23.564 105.912 1.00855.10 N ATOM 45773 C2 A B2181 -828.176 23.561 106.173 1.00855.10 C ATOM 45774 N3 A B2181 -828.827 23.040 107.208 1.00855.10 N ATOM 45775 C4 A B2181 -827.970 22.462 108.066 1.00855.10 C ATOM 45776 P A B2182 -830.435 17.353 111.438 1.00855.10 P ATOM 45777 O1P A B2182 -830.775 16.474 112.589 1.00855.10 O ATOM 45778 O2P A B2182 -829.122 17.204 110.770 1.00855.10 O ATOM 45779 O5* A B2182 -831.577 17.191 110.340 1.00855.10 O ATOM 45780 C5* A B2182 -832.774 16.465 110.607 1.00855.10 C ATOM 45781 C4* A B2182 -832.981 15.416 109.543 1.00855.10 C ATOM 45782 O4* A B2182 -831.977 15.587 108.513 1.00855.10 O ATOM 45783 C3* A B2182 -832.860 13.956 109.988 1.00855.10 C ATOM 45784 O3* A B2182 -834.098 13.440 110.463 1.00855.10 O ATOM 45785 C2* A B2182 -832.430 13.248 108.709 1.00855.10 C ATOM 45786 O2* A B2182 -833.558 12.905 107.928 1.00855.10 O ATOM 45787 C1* A B2182 -831.589 14.323 108.015 1.00855.10 C ATOM 45788 N9 A B2182 -830.136 14.193 108.146 1.00855.10 N ATOM 45789 C8 A B2182 -829.364 14.484 109.244 1.00855.10 C ATOM 45790 N7 A B2182 -828.078 14.286 109.057 1.00855.10 N ATOM 45791 C5 A B2182 -827.999 13.831 107.749 1.00855.10 C ATOM 45792 C6 A B2182 -826.910 13.446 106.957 1.00855.10 C ATOM 45793 N6 A B2182 -825.640 13.463 107.393 1.00855.10 N ATOM 45794 N1 A B2182 -827.168 13.038 105.691 1.00855.10 N ATOM 45795 C2 A B2182 -828.440 13.031 105.265 1.00855.10 C ATOM 45796 N3 A B2182 -829.551 13.371 105.920 1.00855.10 N ATOM 45797 C4 A B2182 -829.258 13.768 107.174 1.00855.10 C ATOM 45798 P C B2183 -834.162 12.698 111.884 1.00855.10 P ATOM 45799 O1P C B2183 -835.407 11.887 111.901 1.00855.10 O ATOM 45800 O2P C B2183 -833.937 13.716 112.939 1.00855.10 O ATOM 45801 O5* C B2183 -832.919 11.703 111.867 1.00855.10 O ATOM 45802 C5* C B2183 -832.896 10.570 110.998 1.00855.10 C ATOM 45803 C4* C B2183 -831.626 9.782 111.212 1.00855.10 C ATOM 45804 O4* C B2183 -830.498 10.696 111.194 1.00855.10 O ATOM 45805 C3* C B2183 -831.423 9.099 112.550 1.00855.10 C ATOM 45806 O3* C B2183 -832.120 7.859 112.562 1.00855.10 O ATOM 45807 C2* C B2183 -829.918 8.907 112.649 1.00855.10 C ATOM 45808 O2* C B2183 -829.481 7.719 112.016 1.00855.10 O ATOM 45809 C1* C B2183 -829.399 10.120 111.877 1.00855.10 C ATOM 45810 N1 C B2183 -828.832 11.141 112.772 1.00855.10 N ATOM 45811 C2 C B2183 -827.442 11.305 112.814 1.00855.10 C ATOM 45812 O2 C B2183 -826.732 10.594 112.090 1.00855.10 O ATOM 45813 N3 C B2183 -826.911 12.237 113.641 1.00855.10 N ATOM 45814 C4 C B2183 -827.710 12.983 114.404 1.00855.10 C ATOM 45815 N4 C B2183 -827.144 13.887 115.209 1.00855.10 N ATOM 45816 C5 C B2183 -829.129 12.838 114.380 1.00855.10 C ATOM 45817 C6 C B2183 -829.642 11.914 113.559 1.00855.10 C ATOM 45818 P C B2184 -832.967 7.444 113.863 1.00855.10 P ATOM 45819 O1P C B2184 -833.874 6.337 113.467 1.00855.10 O ATOM 45820 O2P C B2184 -833.532 8.676 114.467 1.00855.10 O ATOM 45821 O5* C B2184 -831.872 6.857 114.858 1.00855.10 O ATOM 45822 C5* C B2184 -831.466 5.492 114.774 1.00855.10 C ATOM 45823 C4* C B2184 -829.963 5.386 114.887 1.00855.10 C ATOM 45824 O4* C B2184 -829.332 6.588 114.378 1.00855.10 O ATOM 45825 C3* C B2184 -829.400 5.221 116.282 1.00855.10 C ATOM 45826 O3* C B2184 -829.445 3.855 116.674 1.00855.10 O ATOM 45827 C2* C B2184 -827.968 5.726 116.134 1.00855.10 C ATOM 45828 O2* C B2184 -827.087 4.740 115.640 1.00855.10 O ATOM 45829 C1* C B2184 -828.135 6.839 115.096 1.00855.10 C ATOM 45830 N1 C B2184 -828.224 8.171 115.707 1.00855.10 N ATOM 45831 C2 C B2184 -827.243 9.118 115.399 1.00855.10 C ATOM 45832 O2 C B2184 -826.344 8.807 114.604 1.00855.10 O ATOM 45833 N3 C B2184 -827.300 10.341 115.969 1.00855.10 N ATOM 45834 C4 C B2184 -828.284 10.636 116.816 1.00855.10 C ATOM 45835 N4 C B2184 -828.298 11.855 117.360 1.00855.10 N ATOM 45836 C5 C B2184 -829.306 9.693 117.145 1.00855.10 C ATOM 45837 C6 C B2184 -829.234 8.483 116.572 1.00855.10 C ATOM 45838 P U B2185 -829.661 3.483 118.220 1.00855.10 P ATOM 45839 O1P U B2185 -830.199 2.100 118.275 1.00855.10 O ATOM 45840 O2P U B2185 -830.413 4.589 118.866 1.00855.10 O ATOM 45841 O5* U B2185 -828.185 3.468 118.819 1.00855.10 O ATOM 45842 C5* U B2185 -827.807 2.485 119.781 1.00855.10 C ATOM 45843 C4* U B2185 -826.364 2.672 120.197 1.00855.10 C ATOM 45844 O4* U B2185 -825.606 3.287 119.119 1.00855.10 O ATOM 45845 C3* U B2185 -826.115 3.550 121.431 1.00855.10 C ATOM 45846 O3* U B2185 -826.200 2.855 122.669 1.00855.10 O ATOM 45847 C2* U B2185 -824.703 4.065 121.185 1.00855.10 C ATOM 45848 O2* U B2185 -823.710 3.138 121.586 1.00855.10 O ATOM 45849 C1* U B2185 -824.677 4.210 119.662 1.00855.10 C ATOM 45850 N1 U B2185 -825.042 5.569 119.233 1.00855.10 N ATOM 45851 C2 U B2185 -824.011 6.420 118.892 1.00855.10 C ATOM 45852 O2 U B2185 -822.840 6.079 118.911 1.00855.10 O ATOM 45853 N3 U B2185 -824.394 7.685 118.523 1.00855.10 N ATOM 45854 C4 U B2185 -825.686 8.173 118.463 1.00855.10 C ATOM 45855 O4 U B2185 -825.875 9.342 118.126 1.00855.10 O ATOM 45856 C5 U B2185 -826.698 7.228 118.824 1.00855.10 C ATOM 45857 C6 U B2185 -826.350 5.989 119.189 1.00855.10 C ATOM 45858 P G B2186 -826.770 3.619 123.969 1.00855.10 P ATOM 45859 O1P G B2186 -827.670 2.680 124.684 1.00855.10 O ATOM 45860 O2P G B2186 -827.282 4.943 123.538 1.00855.10 O ATOM 45861 O5* G B2186 -825.482 3.863 124.881 1.00855.10 O ATOM 45862 C5* G B2186 -825.345 3.217 126.145 1.00855.10 C ATOM 45863 C4* G B2186 -824.216 3.847 126.932 1.00855.10 C ATOM 45864 O4* G B2186 -823.112 4.115 126.029 1.00855.10 O ATOM 45865 C3* G B2186 -824.503 5.186 127.637 1.00855.10 C ATOM 45866 O3* G B2186 -825.034 5.040 128.953 1.00855.10 O ATOM 45867 C2* G B2186 -823.145 5.870 127.638 1.00855.10 C ATOM 45868 O2* G B2186 -822.315 5.470 128.707 1.00855.10 O ATOM 45869 C1* G B2186 -822.561 5.391 126.311 1.00855.10 C ATOM 45870 N9 G B2186 -822.944 6.294 125.230 1.00855.10 N ATOM 45871 C8 G B2186 -823.309 5.950 123.953 1.00855.10 C ATOM 45872 N7 G B2186 -823.645 6.978 123.223 1.00855.10 N ATOM 45873 C5 G B2186 -823.486 8.065 124.070 1.00855.10 C ATOM 45874 C6 G B2186 -823.704 9.445 123.842 1.00855.10 C ATOM 45875 O6 G B2186 -824.102 10.003 122.814 1.00855.10 O ATOM 45876 N1 G B2186 -823.415 10.200 124.973 1.00855.10 N ATOM 45877 C2 G B2186 -822.969 9.695 126.168 1.00855.10 C ATOM 45878 N2 G B2186 -822.735 10.586 127.142 1.00855.10 N ATOM 45879 N3 G B2186 -822.768 8.411 126.393 1.00855.10 N ATOM 45880 C4 G B2186 -823.042 7.659 125.310 1.00855.10 C ATOM 45881 P A B2187 -825.637 6.325 129.709 1.00855.10 P ATOM 45882 O1P A B2187 -827.059 6.452 129.302 1.00855.10 O ATOM 45883 O2P A B2187 -824.706 7.461 129.499 1.00855.10 O ATOM 45884 O5* A B2187 -825.598 5.932 131.255 1.00855.10 O ATOM 45885 C5* A B2187 -826.509 6.520 132.179 1.00855.10 C ATOM 45886 C4* A B2187 -825.878 7.708 132.876 1.00855.10 C ATOM 45887 O4* A B2187 -825.241 8.570 131.903 1.00855.10 O ATOM 45888 C3* A B2187 -826.830 8.618 133.657 1.00855.10 C ATOM 45889 O3* A B2187 -827.083 8.163 134.981 1.00855.10 O ATOM 45890 C2* A B2187 -826.086 9.947 133.656 1.00855.10 C ATOM 45891 O2* A B2187 -825.110 10.025 134.677 1.00855.10 O ATOM 45892 C1* A B2187 -825.394 9.923 132.293 1.00855.10 C ATOM 45893 N9 A B2187 -826.164 10.626 131.267 1.00855.10 N ATOM 45894 C8 A B2187 -827.332 10.236 130.659 1.00855.10 C ATOM 45895 N7 A B2187 -827.786 11.102 129.787 1.00855.10 N ATOM 45896 C5 A B2187 -826.857 12.128 129.818 1.00855.10 C ATOM 45897 C6 A B2187 -826.764 13.348 129.125 1.00855.10 C ATOM 45898 N6 A B2187 -827.663 13.758 128.224 1.00855.10 N ATOM 45899 N1 A B2187 -825.706 14.143 129.390 1.00855.10 N ATOM 45900 C2 A B2187 -824.807 13.734 130.294 1.00855.10 C ATOM 45901 N3 A B2187 -824.784 12.616 131.012 1.00855.10 N ATOM 45902 C4 A B2187 -825.848 11.848 130.723 1.00855.10 C ATOM 45903 P A B2188 -828.581 8.211 135.568 1.00855.10 P ATOM 45904 O1P A B2188 -828.503 7.890 137.016 1.00855.10 O ATOM 45905 O2P A B2188 -829.452 7.396 134.682 1.00855.10 O ATOM 45906 O5* A B2188 -829.011 9.738 135.424 1.00855.10 O ATOM 45907 C5* A B2188 -828.860 10.653 136.509 1.00855.10 C ATOM 45908 C4* A B2188 -829.663 11.908 136.251 1.00855.10 C ATOM 45909 O4* A B2188 -829.313 12.457 134.959 1.00855.10 O ATOM 45910 C3* A B2188 -831.200 11.826 136.241 1.00855.10 C ATOM 45911 O3* A B2188 -831.777 11.859 137.544 1.00855.10 O ATOM 45912 C2* A B2188 -831.582 13.050 135.411 1.00855.10 C ATOM 45913 O2* A B2188 -831.614 14.240 136.178 1.00855.10 O ATOM 45914 C1* A B2188 -830.429 13.127 134.406 1.00855.10 C ATOM 45915 N9 A B2188 -830.721 12.530 133.102 1.00855.10 N ATOM 45916 C8 A B2188 -829.973 11.615 132.402 1.00855.10 C ATOM 45917 N7 A B2188 -830.488 11.282 131.247 1.00855.10 N ATOM 45918 C5 A B2188 -831.661 12.024 131.175 1.00855.10 C ATOM 45919 C6 A B2188 -832.666 12.124 130.194 1.00855.10 C ATOM 45920 N6 A B2188 -832.649 11.451 129.038 1.00855.10 N ATOM 45921 N1 A B2188 -833.702 12.952 130.440 1.00855.10 N ATOM 45922 C2 A B2188 -833.719 13.634 131.591 1.00855.10 C ATOM 45923 N3 A B2188 -832.836 13.628 132.590 1.00855.10 N ATOM 45924 C4 A B2188 -831.821 12.792 132.317 1.00855.10 C ATOM 45925 P A B2189 -832.758 10.677 138.015 1.00855.10 P ATOM 45926 O1P A B2189 -832.783 10.692 139.497 1.00855.10 O ATOM 45927 O2P A B2189 -832.375 9.435 137.299 1.00855.10 O ATOM 45928 O5* A B2189 -834.194 11.134 137.493 1.00855.10 O ATOM 45929 C5* A B2189 -835.380 10.742 138.181 1.00855.10 C ATOM 45930 C4* A B2189 -836.600 11.217 137.434 1.00855.10 C ATOM 45931 O4* A B2189 -836.471 12.625 137.116 1.00855.10 O ATOM 45932 C3* A B2189 -836.950 10.624 136.074 1.00855.10 C ATOM 45933 O3* A B2189 -837.603 9.373 136.268 1.00855.10 O ATOM 45934 C2* A B2189 -837.868 11.662 135.433 1.00855.10 C ATOM 45935 O2* A B2189 -839.229 11.465 135.766 1.00855.10 O ATOM 45936 C1* A B2189 -837.372 12.962 136.075 1.00855.10 C ATOM 45937 N9 A B2189 -836.681 13.850 135.144 1.00855.10 N ATOM 45938 C8 A B2189 -835.326 14.022 134.991 1.00855.10 C ATOM 45939 N7 A B2189 -835.003 14.903 134.076 1.00855.10 N ATOM 45940 C5 A B2189 -836.226 15.341 133.588 1.00855.10 C ATOM 45941 C6 A B2189 -836.574 16.278 132.602 1.00855.10 C ATOM 45942 N6 A B2189 -835.678 16.977 131.898 1.00855.10 N ATOM 45943 N1 A B2189 -837.889 16.481 132.358 1.00855.10 N ATOM 45944 C2 A B2189 -838.783 15.784 133.067 1.00855.10 C ATOM 45945 N3 A B2189 -838.583 14.876 134.021 1.00855.10 N ATOM 45946 C4 A B2189 -837.267 14.699 134.234 1.00855.10 C ATOM 45947 P A B2190 -837.825 8.387 135.020 1.00855.10 P ATOM 45948 O1P A B2190 -836.478 7.993 134.524 1.00855.10 O ATOM 45949 O2P A B2190 -838.791 9.022 134.089 1.00855.10 O ATOM 45950 O5* A B2190 -838.516 7.096 135.654 1.00855.10 O ATOM 45951 C5* A B2190 -837.724 6.023 136.159 1.00855.10 C ATOM 45952 C4* A B2190 -838.542 5.163 137.093 1.00855.10 C ATOM 45953 O4* A B2190 -838.834 5.912 138.302 1.00855.10 O ATOM 45954 C3* A B2190 -839.882 4.798 136.491 1.00855.10 C ATOM 45955 O3* A B2190 -839.819 3.543 135.824 1.00855.10 O ATOM 45956 C2* A B2190 -840.829 4.766 137.685 1.00855.10 C ATOM 45957 O2* A B2190 -840.821 3.519 138.352 1.00855.10 O ATOM 45958 C1* A B2190 -840.219 5.838 138.592 1.00855.10 C ATOM 45959 N9 A B2190 -840.802 7.156 138.347 1.00855.10 N ATOM 45960 C8 A B2190 -841.113 7.723 137.134 1.00855.10 C ATOM 45961 N7 A B2190 -841.647 8.914 137.230 1.00855.10 N ATOM 45962 C5 A B2190 -841.690 9.153 138.599 1.00855.10 C ATOM 45963 C6 A B2190 -842.149 10.245 139.351 1.00855.10 C ATOM 45964 N6 A B2190 -842.678 11.347 138.818 1.00855.10 N ATOM 45965 N1 A B2190 -842.045 10.168 140.695 1.00855.10 N ATOM 45966 C2 A B2190 -841.516 9.062 141.235 1.00855.10 C ATOM 45967 N3 A B2190 -841.050 7.970 140.633 1.00855.10 N ATOM 45968 C4 A B2190 -841.168 8.079 139.297 1.00855.10 C ATOM 45969 P A B2191 -839.149 3.453 134.363 1.00855.10 P ATOM 45970 O1P A B2191 -839.489 4.707 133.640 1.00855.10 O ATOM 45971 O2P A B2191 -839.510 2.143 133.771 1.00855.10 O ATOM 45972 O5* A B2191 -837.584 3.458 134.651 1.00855.10 O ATOM 45973 C5* A B2191 -836.736 2.449 134.105 1.00855.10 C ATOM 45974 C4* A B2191 -835.312 2.946 134.054 1.00855.10 C ATOM 45975 O4* A B2191 -834.972 3.537 135.337 1.00855.10 O ATOM 45976 C3* A B2191 -834.178 1.967 133.811 1.00855.10 C ATOM 45977 O3* A B2191 -834.037 1.632 132.438 1.00855.10 O ATOM 45978 C2* A B2191 -832.965 2.709 134.359 1.00855.10 C ATOM 45979 O2* A B2191 -832.421 3.626 133.432 1.00855.10 O ATOM 45980 C1* A B2191 -833.571 3.461 135.543 1.00855.10 C ATOM 45981 N9 A B2191 -833.339 2.775 136.812 1.00855.10 N ATOM 45982 C8 A B2191 -832.219 2.069 137.183 1.00855.10 C ATOM 45983 N7 A B2191 -832.286 1.567 138.395 1.00855.10 N ATOM 45984 C5 A B2191 -833.537 1.968 138.849 1.00855.10 C ATOM 45985 C6 A B2191 -834.210 1.759 140.066 1.00855.10 C ATOM 45986 N6 A B2191 -833.699 1.068 141.085 1.00855.10 N ATOM 45987 N1 A B2191 -835.444 2.289 140.196 1.00855.10 N ATOM 45988 C2 A B2191 -835.958 2.985 139.172 1.00855.10 C ATOM 45989 N3 A B2191 -835.420 3.249 137.984 1.00855.10 N ATOM 45990 C4 A B2191 -834.194 2.708 137.884 1.00855.10 C ATOM 45991 P U B2192 -832.867 0.623 131.995 1.00855.10 P ATOM 45992 O1P U B2192 -833.154 -0.687 132.633 1.00855.10 O ATOM 45993 O2P U B2192 -831.563 1.289 132.240 1.00855.10 O ATOM 45994 O5* U B2192 -833.047 0.446 130.423 1.00855.10 O ATOM 45995 C5* U B2192 -831.985 -0.085 129.638 1.00855.10 C ATOM 45996 C4* U B2192 -832.523 -0.973 128.542 1.00855.10 C ATOM 45997 O4* U B2192 -833.230 -2.102 129.121 1.00855.10 O ATOM 45998 C3* U B2192 -833.518 -0.315 127.611 1.00855.10 C ATOM 45999 O3* U B2192 -832.822 0.336 126.556 1.00855.10 O ATOM 46000 C2* U B2192 -834.345 -1.490 127.098 1.00855.10 C ATOM 46001 O2* U B2192 -833.739 -2.143 126.001 1.00855.10 O ATOM 46002 C1* U B2192 -834.340 -2.434 128.304 1.00855.10 C ATOM 46003 N1 U B2192 -835.569 -2.368 129.112 1.00855.10 N ATOM 46004 C2 U B2192 -836.408 -3.466 129.076 1.00855.10 C ATOM 46005 O2 U B2192 -836.173 -4.459 128.410 1.00855.10 O ATOM 46006 N3 U B2192 -837.539 -3.356 129.849 1.00855.10 N ATOM 46007 C4 U B2192 -837.905 -2.285 130.638 1.00855.10 C ATOM 46008 O4 U B2192 -838.957 -2.338 131.278 1.00855.10 O ATOM 46009 C5 U B2192 -836.985 -1.191 130.622 1.00855.10 C ATOM 46010 C6 U B2192 -835.873 -1.267 129.875 1.00855.10 C ATOM 46011 P C B2193 -833.307 1.785 126.064 1.00855.10 P ATOM 46012 O1P C B2193 -832.496 2.148 124.872 1.00855.10 O ATOM 46013 O2P C B2193 -833.326 2.691 127.242 1.00855.10 O ATOM 46014 O5* C B2193 -834.809 1.548 125.598 1.00855.10 O ATOM 46015 C5* C B2193 -835.563 2.607 125.024 1.00855.10 C ATOM 46016 C4* C B2193 -836.729 2.057 124.245 1.00855.10 C ATOM 46017 O4* C B2193 -837.587 1.279 125.118 1.00855.10 O ATOM 46018 C3* C B2193 -837.631 3.139 123.650 1.00855.10 C ATOM 46019 O3* C B2193 -837.179 3.626 122.396 1.00855.10 O ATOM 46020 C2* C B2193 -838.980 2.434 123.561 1.00855.10 C ATOM 46021 O2* C B2193 -839.108 1.645 122.397 1.00855.10 O ATOM 46022 C1* C B2193 -838.945 1.525 124.795 1.00855.10 C ATOM 46023 N1 C B2193 -839.613 2.089 125.980 1.00855.10 N ATOM 46024 C2 C B2193 -841.011 2.080 126.040 1.00855.10 C ATOM 46025 O2 C B2193 -841.653 1.612 125.085 1.00855.10 O ATOM 46026 N3 C B2193 -841.631 2.586 127.131 1.00855.10 N ATOM 46027 C4 C B2193 -840.908 3.084 128.137 1.00855.10 C ATOM 46028 N4 C B2193 -841.562 3.566 129.198 1.00855.10 N ATOM 46029 C5 C B2193 -839.484 3.109 128.102 1.00855.10 C ATOM 46030 C6 C B2193 -838.883 2.605 127.015 1.00855.10 C ATOM 46031 P A B2194 -836.919 5.198 122.205 1.00855.10 P ATOM 46032 O1P A B2194 -836.672 5.441 120.761 1.00855.10 O ATOM 46033 O2P A B2194 -835.908 5.628 123.204 1.00855.10 O ATOM 46034 O5* A B2194 -838.316 5.853 122.590 1.00855.10 O ATOM 46035 C5* A B2194 -839.494 5.512 121.868 1.00855.10 C ATOM 46036 C4* A B2194 -840.711 6.079 122.556 1.00855.10 C ATOM 46037 O4* A B2194 -840.934 5.413 123.825 1.00855.10 O ATOM 46038 C3* A B2194 -840.652 7.558 122.901 1.00855.10 C ATOM 46039 O3* A B2194 -840.964 8.386 121.788 1.00855.10 O ATOM 46040 C2* A B2194 -841.667 7.672 124.034 1.00855.10 C ATOM 46041 O2* A B2194 -842.994 7.791 123.568 1.00855.10 O ATOM 46042 C1* A B2194 -841.494 6.328 124.750 1.00855.10 C ATOM 46043 N9 A B2194 -840.607 6.421 125.909 1.00855.10 N ATOM 46044 C8 A B2194 -839.234 6.419 125.933 1.00855.10 C ATOM 46045 N7 A B2194 -838.725 6.535 127.135 1.00855.10 N ATOM 46046 C5 A B2194 -839.837 6.615 127.962 1.00855.10 C ATOM 46047 C6 A B2194 -839.974 6.755 129.354 1.00855.10 C ATOM 46048 N6 A B2194 -838.942 6.838 130.196 1.00855.10 N ATOM 46049 N1 A B2194 -841.226 6.803 129.860 1.00855.10 N ATOM 46050 C2 A B2194 -842.260 6.723 129.014 1.00855.10 C ATOM 46051 N3 A B2194 -842.259 6.592 127.691 1.00855.10 N ATOM 46052 C4 A B2194 -841.002 6.546 127.221 1.00855.10 C ATOM 46053 P C B2195 -840.102 9.718 121.524 1.00855.10 P ATOM 46054 O1P C B2195 -840.313 10.122 120.113 1.00855.10 O ATOM 46055 O2P C B2195 -838.724 9.486 122.024 1.00855.10 O ATOM 46056 O5* C B2195 -840.790 10.808 122.462 1.00855.10 O ATOM 46057 C5* C B2195 -840.575 10.797 123.869 1.00855.10 C ATOM 46058 C4* C B2195 -840.219 12.179 124.356 1.00855.10 C ATOM 46059 O4* C B2195 -840.096 12.149 125.799 1.00855.10 O ATOM 46060 C3* C B2195 -838.886 12.693 123.870 1.00855.10 C ATOM 46061 O3* C B2195 -839.036 13.295 122.591 1.00855.10 O ATOM 46062 C2* C B2195 -838.494 13.691 124.952 1.00855.10 C ATOM 46063 O2* C B2195 -839.094 14.959 124.772 1.00855.10 O ATOM 46064 C1* C B2195 -839.060 13.026 126.208 1.00855.10 C ATOM 46065 N1 C B2195 -838.056 12.225 126.928 1.00855.10 N ATOM 46066 C2 C B2195 -837.314 12.826 127.949 1.00855.10 C ATOM 46067 O2 C B2195 -837.527 14.015 128.231 1.00855.10 O ATOM 46068 N3 C B2195 -836.385 12.095 128.605 1.00855.10 N ATOM 46069 C4 C B2195 -836.182 10.817 128.274 1.00855.10 C ATOM 46070 N4 C B2195 -835.250 10.134 128.944 1.00855.10 N ATOM 46071 C5 C B2195 -836.927 10.182 127.240 1.00855.10 C ATOM 46072 C6 C B2195 -837.846 10.913 126.600 1.00855.10 C ATOM 46073 P U B2196 -837.889 13.088 121.483 1.00855.10 P ATOM 46074 O1P U B2196 -837.415 14.432 121.072 1.00855.10 O ATOM 46075 O2P U B2196 -838.398 12.144 120.454 1.00855.10 O ATOM 46076 O5* U B2196 -836.717 12.370 122.287 1.00855.10 O ATOM 46077 C5* U B2196 -835.531 13.082 122.622 1.00855.10 C ATOM 46078 C4* U B2196 -835.301 13.052 124.112 1.00855.10 C ATOM 46079 O4* U B2196 -834.932 11.717 124.541 1.00855.10 O ATOM 46080 C3* U B2196 -834.170 13.936 124.597 1.00855.10 C ATOM 46081 O3* U B2196 -834.634 15.272 124.761 1.00855.10 O ATOM 46082 C2* U B2196 -833.782 13.287 125.922 1.00855.10 C ATOM 46083 O2* U B2196 -834.599 13.714 126.996 1.00855.10 O ATOM 46084 C1* U B2196 -834.050 11.805 125.647 1.00855.10 C ATOM 46085 N1 U B2196 -832.843 11.018 125.357 1.00855.10 N ATOM 46086 C2 U B2196 -832.570 9.942 126.179 1.00855.10 C ATOM 46087 O2 U B2196 -833.276 9.632 127.122 1.00855.10 O ATOM 46088 N3 U B2196 -831.436 9.236 125.856 1.00855.10 N ATOM 46089 C4 U B2196 -830.565 9.495 124.818 1.00855.10 C ATOM 46090 O4 U B2196 -829.590 8.759 124.646 1.00855.10 O ATOM 46091 C5 U B2196 -830.913 10.628 124.015 1.00855.10 C ATOM 46092 C6 U B2196 -832.012 11.334 124.307 1.00855.10 C ATOM 46093 P U B2197 -834.006 16.445 123.867 1.00855.10 P ATOM 46094 O1P U B2197 -835.101 17.002 123.033 1.00855.10 O ATOM 46095 O2P U B2197 -832.774 15.932 123.210 1.00855.10 O ATOM 46096 O5* U B2197 -833.584 17.544 124.936 1.00855.10 O ATOM 46097 C5* U B2197 -834.563 18.407 125.504 1.00855.10 C ATOM 46098 C4* U B2197 -834.093 18.930 126.839 1.00855.10 C ATOM 46099 O4* U B2197 -834.204 17.889 127.840 1.00855.10 O ATOM 46100 C3* U B2197 -832.626 19.373 126.898 1.00855.10 C ATOM 46101 O3* U B2197 -832.374 20.688 126.420 1.00855.10 O ATOM 46102 C2* U B2197 -832.311 19.233 128.381 1.00855.10 C ATOM 46103 O2* U B2197 -832.744 20.345 129.139 1.00855.10 O ATOM 46104 C1* U B2197 -833.137 18.005 128.766 1.00855.10 C ATOM 46105 N1 U B2197 -832.363 16.756 128.755 1.00855.10 N ATOM 46106 C2 U B2197 -832.100 16.163 129.975 1.00855.10 C ATOM 46107 O2 U B2197 -832.489 16.631 131.030 1.00855.10 O ATOM 46108 N3 U B2197 -831.368 15.004 129.914 1.00855.10 N ATOM 46109 C4 U B2197 -830.883 14.388 128.782 1.00855.10 C ATOM 46110 O4 U B2197 -830.219 13.354 128.896 1.00855.10 O ATOM 46111 C5 U B2197 -831.195 15.060 127.554 1.00855.10 C ATOM 46112 C6 U B2197 -831.909 16.194 127.582 1.00855.10 C ATOM 46113 P U B2198 -831.424 20.896 125.141 1.00855.10 P ATOM 46114 O1P U B2198 -831.730 22.233 124.572 1.00855.10 O ATOM 46115 O2P U B2198 -831.533 19.691 124.280 1.00855.10 O ATOM 46116 O5* U B2198 -829.958 20.938 125.758 1.00855.10 O ATOM 46117 C5* U B2198 -829.109 22.060 125.542 1.00855.10 C ATOM 46118 C4* U B2198 -827.671 21.685 125.798 1.00855.10 C ATOM 46119 O4* U B2198 -827.478 21.411 127.210 1.00855.10 O ATOM 46120 C3* U B2198 -827.135 20.452 125.111 1.00855.10 C ATOM 46121 O3* U B2198 -826.761 20.779 123.780 1.00855.10 O ATOM 46122 C2* U B2198 -825.944 20.065 125.984 1.00855.10 C ATOM 46123 O2* U B2198 -824.777 20.797 125.671 1.00855.10 O ATOM 46124 C1* U B2198 -826.446 20.450 127.377 1.00855.10 C ATOM 46125 N1 U B2198 -827.008 19.290 128.083 1.00855.10 N ATOM 46126 C2 U B2198 -826.125 18.362 128.601 1.00855.10 C ATOM 46127 O2 U B2198 -824.913 18.486 128.525 1.00855.10 O ATOM 46128 N3 U B2198 -826.711 17.284 129.214 1.00855.10 N ATOM 46129 C4 U B2198 -828.060 17.042 129.360 1.00855.10 C ATOM 46130 O4 U B2198 -828.436 16.004 129.902 1.00855.10 O ATOM 46131 C5 U B2198 -828.907 18.057 128.808 1.00855.10 C ATOM 46132 C6 U B2198 -828.366 19.118 128.206 1.00855.10 C ATOM 46133 P C B2199 -827.317 19.890 122.558 1.00855.10 P ATOM 46134 O1P C B2199 -826.987 20.606 121.300 1.00855.10 O ATOM 46135 O2P C B2199 -828.729 19.536 122.855 1.00855.10 O ATOM 46136 O5* C B2199 -826.452 18.549 122.603 1.00855.10 O ATOM 46137 C5* C B2199 -826.941 17.379 123.256 1.00855.10 C ATOM 46138 C4* C B2199 -825.912 16.856 124.230 1.00855.10 C ATOM 46139 O4* C B2199 -826.510 15.865 125.100 1.00855.10 O ATOM 46140 C3* C B2199 -824.704 16.163 123.634 1.00855.10 C ATOM 46141 O3* C B2199 -823.725 17.112 123.227 1.00855.10 O ATOM 46142 C2* C B2199 -824.220 15.290 124.785 1.00855.10 C ATOM 46143 O2* C B2199 -823.405 15.995 125.699 1.00855.10 O ATOM 46144 C1* C B2199 -825.534 14.905 125.464 1.00855.10 C ATOM 46145 N1 C B2199 -826.016 13.575 125.053 1.00855.10 N ATOM 46146 C2 C B2199 -825.656 12.467 125.823 1.00855.10 C ATOM 46147 O2 C B2199 -824.964 12.638 126.835 1.00855.10 O ATOM 46148 N3 C B2199 -826.074 11.236 125.445 1.00855.10 N ATOM 46149 C4 C B2199 -826.829 11.098 124.351 1.00855.10 C ATOM 46150 N4 C B2199 -827.214 9.866 124.010 1.00855.10 N ATOM 46151 C5 C B2199 -827.216 12.214 123.554 1.00855.10 C ATOM 46152 C6 C B2199 -826.790 13.422 123.939 1.00855.10 C ATOM 46153 P G B2200 -822.924 16.878 121.853 1.00855.10 P ATOM 46154 O1P G B2200 -822.349 18.177 121.432 1.00855.10 O ATOM 46155 O2P G B2200 -823.805 16.129 120.922 1.00855.10 O ATOM 46156 O5* G B2200 -821.729 15.914 122.277 1.00855.10 O ATOM 46157 C5* G B2200 -820.641 16.401 123.057 1.00855.10 C ATOM 46158 C4* G B2200 -819.529 15.381 123.088 1.00855.10 C ATOM 46159 O4* G B2200 -820.025 14.135 123.640 1.00855.10 O ATOM 46160 C3* G B2200 -818.950 15.010 121.722 1.00855.10 C ATOM 46161 O3* G B2200 -817.949 15.915 121.275 1.00855.10 O ATOM 46162 C2* G B2200 -818.424 13.600 121.960 1.00855.10 C ATOM 46163 O2* G B2200 -817.147 13.589 122.570 1.00855.10 O ATOM 46164 C1* G B2200 -819.463 13.042 122.935 1.00855.10 C ATOM 46165 N9 G B2200 -820.552 12.338 122.265 1.00855.10 N ATOM 46166 C8 G B2200 -821.864 12.741 122.187 1.00855.10 C ATOM 46167 N7 G B2200 -822.618 11.910 121.522 1.00855.10 N ATOM 46168 C5 G B2200 -821.756 10.894 121.136 1.00855.10 C ATOM 46169 C6 G B2200 -821.998 9.713 120.388 1.00855.10 C ATOM 46170 O6 G B2200 -823.064 9.314 119.900 1.00855.10 O ATOM 46171 N1 G B2200 -820.841 8.963 120.225 1.00855.10 N ATOM 46172 C2 G B2200 -819.603 9.302 120.717 1.00855.10 C ATOM 46173 N2 G B2200 -818.607 8.447 120.450 1.00855.10 N ATOM 46174 N3 G B2200 -819.360 10.401 121.418 1.00855.10 N ATOM 46175 C4 G B2200 -820.476 11.144 121.588 1.00855.10 C ATOM 46176 P G B2201 -817.960 16.414 119.749 1.00855.10 P ATOM 46177 O1P G B2201 -816.603 16.921 119.430 1.00855.10 O ATOM 46178 O2P G B2201 -819.138 17.302 119.555 1.00855.10 O ATOM 46179 O5* G B2201 -818.204 15.075 118.924 1.00855.10 O ATOM 46180 C5* G B2201 -817.238 14.031 118.945 1.00855.10 C ATOM 46181 C4* G B2201 -817.836 12.754 118.414 1.00855.10 C ATOM 46182 O4* G B2201 -819.055 12.422 119.130 1.00855.10 O ATOM 46183 C3* G B2201 -818.277 12.805 116.974 1.00855.10 C ATOM 46184 O3* G B2201 -817.154 12.606 116.131 1.00855.10 O ATOM 46185 C2* G B2201 -819.293 11.673 116.881 1.00855.10 C ATOM 46186 O2* G B2201 -818.690 10.412 116.665 1.00855.10 O ATOM 46187 C1* G B2201 -819.932 11.711 118.273 1.00855.10 C ATOM 46188 N9 G B2201 -821.218 12.395 118.244 1.00855.10 N ATOM 46189 C8 G B2201 -821.521 13.631 118.760 1.00855.10 C ATOM 46190 N7 G B2201 -822.760 13.988 118.548 1.00855.10 N ATOM 46191 C5 G B2201 -823.312 12.916 117.856 1.00855.10 C ATOM 46192 C6 G B2201 -824.626 12.722 117.351 1.00855.10 C ATOM 46193 O6 G B2201 -825.600 13.485 117.409 1.00855.10 O ATOM 46194 N1 G B2201 -824.753 11.487 116.722 1.00855.10 N ATOM 46195 C2 G B2201 -823.748 10.560 116.592 1.00855.10 C ATOM 46196 N2 G B2201 -824.071 9.427 115.956 1.00855.10 N ATOM 46197 N3 G B2201 -822.523 10.731 117.054 1.00855.10 N ATOM 46198 C4 G B2201 -822.376 11.924 117.669 1.00855.10 C ATOM 46199 P G B2202 -816.351 13.881 115.581 1.00855.10 P ATOM 46200 O1P G B2202 -814.990 13.868 116.161 1.00855.10 O ATOM 46201 O2P G B2202 -817.214 15.080 115.751 1.00855.10 O ATOM 46202 O5* G B2202 -816.221 13.579 114.021 1.00855.10 O ATOM 46203 C5* G B2202 -815.719 12.329 113.570 1.00855.10 C ATOM 46204 C4* G B2202 -816.796 11.563 112.848 1.00855.10 C ATOM 46205 O4* G B2202 -817.920 11.319 113.733 1.00855.10 O ATOM 46206 C3* G B2202 -817.428 12.255 111.654 1.00855.10 C ATOM 46207 O3* G B2202 -816.609 12.178 110.492 1.00855.10 O ATOM 46208 C2* G B2202 -818.756 11.519 111.510 1.00855.10 C ATOM 46209 O2* G B2202 -818.631 10.304 110.802 1.00855.10 O ATOM 46210 C1* G B2202 -819.111 11.230 112.973 1.00855.10 C ATOM 46211 N9 G B2202 -820.077 12.178 113.519 1.00855.10 N ATOM 46212 C8 G B2202 -819.812 13.409 114.063 1.00855.10 C ATOM 46213 N7 G B2202 -820.888 14.038 114.459 1.00855.10 N ATOM 46214 C5 G B2202 -821.924 13.165 114.159 1.00855.10 C ATOM 46215 C6 G B2202 -823.326 13.296 114.357 1.00855.10 C ATOM 46216 O6 G B2202 -823.951 14.242 114.850 1.00855.10 O ATOM 46217 N1 G B2202 -824.013 12.173 113.906 1.00855.10 N ATOM 46218 C2 G B2202 -823.432 11.067 113.342 1.00855.10 C ATOM 46219 N2 G B2202 -824.268 10.084 112.975 1.00855.10 N ATOM 46220 N3 G B2202 -822.131 10.931 113.153 1.00855.10 N ATOM 46221 C4 G B2202 -821.441 12.010 113.579 1.00855.10 C ATOM 46222 P G B2203 -816.625 13.386 109.429 1.00855.10 P ATOM 46223 O1P G B2203 -815.671 13.043 108.345 1.00855.10 O ATOM 46224 O2P G B2203 -816.457 14.660 110.174 1.00855.10 O ATOM 46225 O5* G B2203 -818.101 13.355 108.833 1.00855.10 O ATOM 46226 C5* G B2203 -818.583 12.206 108.143 1.00855.10 C ATOM 46227 C4* G B2203 -820.085 12.264 108.012 1.00855.10 C ATOM 46228 O4* G B2203 -820.675 12.420 109.326 1.00855.10 O ATOM 46229 C3* G B2203 -820.660 13.429 107.237 1.00855.10 C ATOM 46230 O3* G B2203 -820.653 13.089 105.855 1.00855.10 O ATOM 46231 C2* G B2203 -822.086 13.547 107.771 1.00855.10 C ATOM 46232 O2* G B2203 -822.989 12.684 107.110 1.00855.10 O ATOM 46233 C1* G B2203 -821.922 13.079 109.219 1.00855.10 C ATOM 46234 N9 G B2203 -821.948 14.173 110.181 1.00855.10 N ATOM 46235 C8 G B2203 -820.965 14.510 111.082 1.00855.10 C ATOM 46236 N7 G B2203 -821.273 15.543 111.815 1.00855.10 N ATOM 46237 C5 G B2203 -822.538 15.914 111.373 1.00855.10 C ATOM 46238 C6 G B2203 -823.383 16.969 111.797 1.00855.10 C ATOM 46239 O6 G B2203 -823.175 17.814 112.678 1.00855.10 O ATOM 46240 N1 G B2203 -824.577 16.986 111.081 1.00855.10 N ATOM 46241 C2 G B2203 -824.919 16.099 110.081 1.00855.10 C ATOM 46242 N2 G B2203 -826.122 16.283 109.512 1.00855.10 N ATOM 46243 N3 G B2203 -824.141 15.109 109.676 1.00855.10 N ATOM 46244 C4 G B2203 -822.969 15.078 110.361 1.00855.10 C ATOM 46245 P A B2204 -819.538 13.368 104.191 1.00855.43 P ATOM 46246 O1P A B2204 -818.300 12.599 103.913 1.00855.43 O ATOM 46247 O2P A B2204 -819.441 14.764 104.688 1.00855.43 O ATOM 46248 O5* A B2204 -820.435 13.357 102.872 1.00855.43 O ATOM 46249 C5* A B2204 -820.950 12.128 102.370 1.00855.43 C ATOM 46250 C4* A B2204 -822.430 12.025 102.651 1.00855.43 C ATOM 46251 O4* A B2204 -822.676 12.496 104.005 1.00855.43 O ATOM 46252 C3* A B2204 -823.346 12.847 101.773 1.00855.43 C ATOM 46253 O3* A B2204 -823.580 12.311 100.461 1.00855.43 O ATOM 46254 C2* A B2204 -824.545 13.131 102.678 1.00855.43 C ATOM 46255 O2* A B2204 -825.489 12.085 102.760 1.00855.43 O ATOM 46256 C1* A B2204 -823.869 13.256 104.046 1.00855.43 C ATOM 46257 N9 A B2204 -823.519 14.633 104.391 1.00855.43 N ATOM 46258 C8 A B2204 -822.315 15.257 104.182 1.00855.43 C ATOM 46259 N7 A B2204 -822.284 16.501 104.595 1.00855.43 N ATOM 46260 C5 A B2204 -823.553 16.710 105.113 1.00855.43 C ATOM 46261 C6 A B2204 -824.157 17.831 105.707 1.00855.43 C ATOM 46262 N6 A B2204 -823.536 19.003 105.885 1.00855.43 N ATOM 46263 N1 A B2204 -825.437 17.712 106.119 1.00855.43 N ATOM 46264 C2 A B2204 -826.058 16.540 105.940 1.00855.43 C ATOM 46265 N3 A B2204 -825.598 15.417 105.397 1.00855.43 N ATOM 46266 C4 A B2204 -824.324 15.567 104.997 1.00855.43 C ATOM 46267 P C B2205 -824.481 10.996 100.241 1.00855.43 P ATOM 46268 O1P C B2205 -824.170 10.532 98.866 1.00855.43 O ATOM 46269 O2P C B2205 -825.898 11.240 100.617 1.00855.43 O ATOM 46270 O5* C B2205 -823.829 9.931 101.233 1.00855.43 O ATOM 46271 C5* C B2205 -823.027 8.878 100.711 1.00855.43 C ATOM 46272 C4* C B2205 -822.229 8.201 101.803 1.00855.43 C ATOM 46273 O4* C B2205 -821.909 9.158 102.848 1.00855.43 O ATOM 46274 C3* C B2205 -822.878 7.053 102.543 1.00855.43 C ATOM 46275 O3* C B2205 -822.740 5.846 101.808 1.00855.43 O ATOM 46276 C2* C B2205 -822.086 7.003 103.839 1.00855.43 C ATOM 46277 O2* C B2205 -820.860 6.306 103.705 1.00855.43 O ATOM 46278 C1* C B2205 -821.817 8.485 104.092 1.00855.43 C ATOM 46279 N1 C B2205 -822.826 9.031 105.012 1.00855.43 N ATOM 46280 C2 C B2205 -822.619 8.900 106.377 1.00855.43 C ATOM 46281 O2 C B2205 -821.555 8.403 106.772 1.00855.43 O ATOM 46282 N3 C B2205 -823.577 9.312 107.238 1.00855.43 N ATOM 46283 C4 C B2205 -824.700 9.858 106.768 1.00855.43 C ATOM 46284 N4 C B2205 -825.633 10.226 107.651 1.00855.43 N ATOM 46285 C5 C B2205 -824.919 10.048 105.376 1.00855.43 C ATOM 46286 C6 C B2205 -823.963 9.624 104.541 1.00855.43 C ATOM 46287 P C B2206 -823.830 4.681 102.001 1.00855.43 P ATOM 46288 O1P C B2206 -823.244 3.435 101.468 1.00855.43 O ATOM 46289 O2P C B2206 -825.125 5.171 101.462 1.00855.43 O ATOM 46290 O5* C B2206 -823.979 4.544 103.584 1.00855.43 O ATOM 46291 C5* C B2206 -823.876 3.279 104.229 1.00855.43 C ATOM 46292 C4* C B2206 -824.979 3.117 105.252 1.00855.43 C ATOM 46293 O4* C B2206 -825.138 4.345 106.004 1.00855.43 O ATOM 46294 C3* C B2206 -826.361 2.807 104.675 1.00855.43 C ATOM 46295 O3* C B2206 -826.522 1.405 104.509 1.00855.43 O ATOM 46296 C2* C B2206 -827.310 3.376 105.730 1.00855.43 C ATOM 46297 O2* C B2206 -827.649 2.496 106.777 1.00855.43 O ATOM 46298 C1* C B2206 -826.510 4.558 106.278 1.00855.43 C ATOM 46299 N1 C B2206 -826.923 5.837 105.689 1.00855.43 N ATOM 46300 C2 C B2206 -827.947 6.559 106.305 1.00855.43 C ATOM 46301 O2 C B2206 -828.452 6.114 107.348 1.00855.43 O ATOM 46302 N3 C B2206 -828.362 7.720 105.750 1.00855.43 N ATOM 46303 C4 C B2206 -827.789 8.164 104.630 1.00855.43 C ATOM 46304 N4 C B2206 -828.236 9.310 104.111 1.00855.43 N ATOM 46305 C5 C B2206 -826.729 7.456 103.993 1.00855.43 C ATOM 46306 C6 C B2206 -826.332 6.309 104.551 1.00855.43 C ATOM 46307 P G B2207 -827.185 0.829 103.167 1.00855.43 P ATOM 46308 O1P G B2207 -827.375 -0.630 103.370 1.00855.43 O ATOM 46309 O2P G B2207 -826.387 1.314 102.012 1.00855.43 O ATOM 46310 O5* G B2207 -828.619 1.516 103.121 1.00855.43 O ATOM 46311 C5* G B2207 -829.554 1.317 104.179 1.00855.43 C ATOM 46312 C4* G B2207 -830.657 2.349 104.102 1.00855.43 C ATOM 46313 O4* G B2207 -830.095 3.641 103.754 1.00855.43 O ATOM 46314 C3* G B2207 -831.747 2.102 103.075 1.00855.43 C ATOM 46315 O3* G B2207 -832.757 1.243 103.591 1.00855.43 O ATOM 46316 C2* G B2207 -832.278 3.506 102.807 1.00855.43 C ATOM 46317 O2* G B2207 -833.221 3.917 103.775 1.00855.43 O ATOM 46318 C1* G B2207 -831.009 4.350 102.935 1.00855.43 C ATOM 46319 N9 G B2207 -830.380 4.597 101.642 1.00855.43 N ATOM 46320 C8 G B2207 -829.829 3.665 100.795 1.00855.43 C ATOM 46321 N7 G B2207 -829.361 4.187 99.695 1.00855.43 N ATOM 46322 C5 G B2207 -829.617 5.544 99.821 1.00855.43 C ATOM 46323 C6 G B2207 -829.341 6.619 98.938 1.00855.43 C ATOM 46324 O6 G B2207 -828.810 6.581 97.820 1.00855.43 O ATOM 46325 N1 G B2207 -829.755 7.836 99.468 1.00855.43 N ATOM 46326 C2 G B2207 -830.351 7.999 100.691 1.00855.43 C ATOM 46327 N2 G B2207 -830.641 9.256 101.040 1.00855.43 N ATOM 46328 N3 G B2207 -830.633 7.004 101.516 1.00855.43 N ATOM 46329 C4 G B2207 -830.237 5.814 101.022 1.00855.43 C ATOM 46330 P U B2208 -833.552 0.265 102.595 1.00855.43 P ATOM 46331 O1P U B2208 -834.187 -0.792 103.425 1.00855.43 O ATOM 46332 O2P U B2208 -832.637 -0.124 101.488 1.00855.43 O ATOM 46333 O5* U B2208 -834.708 1.178 101.996 1.00855.43 O ATOM 46334 C5* U B2208 -836.059 1.002 102.408 1.00855.43 C ATOM 46335 C4* U B2208 -836.968 1.971 101.691 1.00855.43 C ATOM 46336 O4* U B2208 -836.473 3.327 101.845 1.00855.43 O ATOM 46337 C3* U B2208 -837.152 1.804 100.187 1.00855.43 C ATOM 46338 O3* U B2208 -838.116 0.806 99.876 1.00855.43 O ATOM 46339 C2* U B2208 -837.621 3.193 99.758 1.00855.43 C ATOM 46340 O2* U B2208 -839.007 3.388 99.952 1.00855.43 O ATOM 46341 C1* U B2208 -836.841 4.096 100.713 1.00855.43 C ATOM 46342 N1 U B2208 -835.625 4.649 100.097 1.00855.43 N ATOM 46343 C2 U B2208 -835.752 5.838 99.410 1.00855.43 C ATOM 46344 O2 U B2208 -836.806 6.444 99.333 1.00855.43 O ATOM 46345 N3 U B2208 -834.597 6.291 98.819 1.00855.43 N ATOM 46346 C4 U B2208 -833.356 5.691 98.854 1.00855.43 C ATOM 46347 O4 U B2208 -832.418 6.208 98.243 1.00855.43 O ATOM 46348 C5 U B2208 -833.305 4.469 99.598 1.00855.43 C ATOM 46349 C6 U B2208 -834.412 4.002 100.181 1.00855.43 C ATOM 46350 P G B2209 -838.189 0.221 98.385 1.00855.43 P ATOM 46351 O1P G B2209 -839.241 -0.826 98.361 1.00855.43 O ATOM 46352 O2P G B2209 -836.810 -0.111 97.940 1.00855.43 O ATOM 46353 O5* G B2209 -838.702 1.457 97.521 1.00855.43 O ATOM 46354 C5* G B2209 -840.054 1.878 97.597 1.00855.43 C ATOM 46355 C4* G B2209 -840.230 3.206 96.906 1.00855.43 C ATOM 46356 O4* G B2209 -839.342 4.198 97.483 1.00855.43 O ATOM 46357 C3* G B2209 -839.903 3.229 95.438 1.00855.43 C ATOM 46358 O3* G B2209 -841.005 2.725 94.705 1.00855.43 O ATOM 46359 C2* G B2209 -839.613 4.705 95.173 1.00855.43 C ATOM 46360 O2* G B2209 -840.758 5.500 94.947 1.00855.43 O ATOM 46361 C1* G B2209 -838.958 5.128 96.484 1.00855.43 C ATOM 46362 N9 G B2209 -837.509 5.085 96.341 1.00855.43 N ATOM 46363 C8 G B2209 -836.702 3.974 96.356 1.00855.43 C ATOM 46364 N7 G B2209 -835.444 4.251 96.129 1.00855.43 N ATOM 46365 C5 G B2209 -835.425 5.630 95.973 1.00855.43 C ATOM 46366 C6 G B2209 -834.346 6.505 95.693 1.00855.43 C ATOM 46367 O6 G B2209 -833.154 6.225 95.516 1.00855.43 O ATOM 46368 N1 G B2209 -834.767 7.830 95.622 1.00855.43 N ATOM 46369 C2 G B2209 -836.061 8.256 95.796 1.00855.43 C ATOM 46370 N2 G B2209 -836.268 9.579 95.701 1.00855.43 N ATOM 46371 N3 G B2209 -837.078 7.450 96.042 1.00855.43 N ATOM 46372 C4 G B2209 -836.688 6.159 96.118 1.00855.43 C ATOM 46373 P C B2210 -840.972 1.212 94.168 1.00855.43 P ATOM 46374 O1P C B2210 -842.261 0.571 94.522 1.00855.43 O ATOM 46375 O2P C B2210 -839.698 0.600 94.623 1.00855.43 O ATOM 46376 O5* C B2210 -840.905 1.379 92.583 1.00855.43 O ATOM 46377 C5* C B2210 -841.928 2.081 91.886 1.00855.43 C ATOM 46378 C4* C B2210 -841.339 2.876 90.754 1.00855.43 C ATOM 46379 O4* C B2210 -840.522 3.948 91.286 1.00855.43 O ATOM 46380 C3* C B2210 -840.405 2.082 89.877 1.00855.43 C ATOM 46381 O3* C B2210 -841.119 1.355 88.886 1.00855.43 O ATOM 46382 C2* C B2210 -839.496 3.156 89.292 1.00855.43 C ATOM 46383 O2* C B2210 -840.074 3.809 88.181 1.00855.43 O ATOM 46384 C1* C B2210 -839.381 4.129 90.467 1.00855.43 C ATOM 46385 N1 C B2210 -838.191 3.850 91.281 1.00855.43 N ATOM 46386 C2 C B2210 -836.956 4.349 90.859 1.00855.43 C ATOM 46387 O2 C B2210 -836.904 5.024 89.822 1.00855.43 O ATOM 46388 N3 C B2210 -835.850 4.079 91.591 1.00855.43 N ATOM 46389 C4 C B2210 -835.951 3.345 92.702 1.00855.43 C ATOM 46390 N4 C B2210 -834.831 3.097 93.393 1.00855.43 N ATOM 46391 C5 C B2210 -837.199 2.834 93.158 1.00855.43 C ATOM 46392 C6 C B2210 -838.283 3.111 92.426 1.00855.43 C ATOM 46393 P U B2211 -840.477 0.015 88.280 1.00855.43 P ATOM 46394 O1P U B2211 -841.449 -0.557 87.313 1.00855.43 O ATOM 46395 O2P U B2211 -839.989 -0.817 89.410 1.00855.43 O ATOM 46396 O5* U B2211 -839.214 0.543 87.466 1.00855.43 O ATOM 46397 C5* U B2211 -839.383 1.405 86.347 1.00855.43 C ATOM 46398 C4* U B2211 -838.042 1.782 85.768 1.00855.43 C ATOM 46399 O4* U B2211 -837.331 2.643 86.696 1.00855.43 O ATOM 46400 C3* U B2211 -837.102 0.618 85.552 1.00855.43 C ATOM 46401 O3* U B2211 -837.360 -0.057 84.330 1.00855.43 O ATOM 46402 C2* U B2211 -835.730 1.285 85.578 1.00855.43 C ATOM 46403 O2* U B2211 -835.385 1.875 84.343 1.00855.43 O ATOM 46404 C1* U B2211 -835.940 2.373 86.631 1.00855.43 C ATOM 46405 N1 U B2211 -835.494 1.917 87.952 1.00855.43 N ATOM 46406 C2 U B2211 -834.135 1.900 88.194 1.00855.43 C ATOM 46407 O2 U B2211 -833.319 2.291 87.379 1.00855.43 O ATOM 46408 N3 U B2211 -833.770 1.414 89.425 1.00855.43 N ATOM 46409 C4 U B2211 -834.618 0.969 90.426 1.00855.43 C ATOM 46410 O4 U B2211 -834.141 0.548 91.479 1.00855.43 O ATOM 46411 C5 U B2211 -836.010 1.044 90.107 1.00855.43 C ATOM 46412 C6 U B2211 -836.392 1.503 88.911 1.00855.43 C ATOM 46413 P U B2212 -836.980 -1.611 84.195 1.00855.43 P ATOM 46414 O1P U B2212 -837.507 -2.094 82.893 1.00855.43 O ATOM 46415 O2P U B2212 -837.387 -2.294 85.451 1.00855.43 O ATOM 46416 O5* U B2212 -835.389 -1.611 84.128 1.00855.43 O ATOM 46417 C5* U B2212 -834.700 -0.839 83.150 1.00855.43 C ATOM 46418 C4* U B2212 -833.217 -1.094 83.233 1.00855.43 C ATOM 46419 O4* U B2212 -832.687 -0.483 84.436 1.00855.43 O ATOM 46420 C3* U B2212 -832.781 -2.545 83.342 1.00855.43 C ATOM 46421 O3* U B2212 -832.730 -3.176 82.066 1.00855.43 O ATOM 46422 C2* U B2212 -831.403 -2.440 83.990 1.00855.43 C ATOM 46423 O2* U B2212 -830.384 -2.174 83.050 1.00855.43 O ATOM 46424 C1* U B2212 -831.581 -1.232 84.911 1.00855.43 C ATOM 46425 N1 U B2212 -831.841 -1.603 86.310 1.00855.43 N ATOM 46426 C2 U B2212 -830.790 -2.116 87.042 1.00855.43 C ATOM 46427 O2 U B2212 -829.671 -2.270 86.581 1.00855.43 O ATOM 46428 N3 U B2212 -831.097 -2.445 88.339 1.00855.43 N ATOM 46429 C4 U B2212 -832.324 -2.315 88.962 1.00855.43 C ATOM 46430 O4 U B2212 -832.444 -2.664 90.137 1.00855.43 O ATOM 46431 C5 U B2212 -833.357 -1.775 88.136 1.00855.43 C ATOM 46432 C6 U B2212 -833.088 -1.446 86.867 1.00855.43 C ATOM 46433 P G B2213 -832.904 -4.769 81.960 1.00855.43 P ATOM 46434 O1P G B2213 -833.171 -5.089 80.534 1.00855.43 O ATOM 46435 O2P G B2213 -833.868 -5.208 82.999 1.00855.43 O ATOM 46436 O5* G B2213 -831.465 -5.337 82.335 1.00855.43 O ATOM 46437 C5* G B2213 -830.336 -5.037 81.520 1.00855.43 C ATOM 46438 C4* G B2213 -829.056 -5.412 82.227 1.00855.43 C ATOM 46439 O4* G B2213 -828.874 -4.572 83.399 1.00855.43 O ATOM 46440 C3* G B2213 -829.021 -6.816 82.782 1.00855.43 C ATOM 46441 O3* G B2213 -828.651 -7.754 81.781 1.00855.43 O ATOM 46442 C2* G B2213 -827.979 -6.719 83.886 1.00855.43 C ATOM 46443 O2* G B2213 -826.654 -6.813 83.397 1.00855.43 O ATOM 46444 C1* G B2213 -828.229 -5.311 84.422 1.00855.43 C ATOM 46445 N9 G B2213 -829.108 -5.362 85.585 1.00855.43 N ATOM 46446 C8 G B2213 -830.481 -5.427 85.586 1.00855.43 C ATOM 46447 N7 G B2213 -830.988 -5.514 86.784 1.00855.43 N ATOM 46448 C5 G B2213 -829.885 -5.494 87.626 1.00855.43 C ATOM 46449 C6 G B2213 -829.808 -5.570 89.039 1.00855.43 C ATOM 46450 O6 G B2213 -830.729 -5.678 89.857 1.00855.43 O ATOM 46451 N1 G B2213 -828.490 -5.509 89.481 1.00855.43 N ATOM 46452 C2 G B2213 -827.387 -5.397 88.670 1.00855.43 C ATOM 46453 N2 G B2213 -826.200 -5.351 89.287 1.00855.43 N ATOM 46454 N3 G B2213 -827.447 -5.334 87.352 1.00855.43 N ATOM 46455 C4 G B2213 -828.717 -5.388 86.900 1.00855.43 C ATOM 46456 P G B2214 -829.175 -9.271 81.894 1.00855.43 P ATOM 46457 O1P G B2214 -828.802 -9.967 80.638 1.00855.43 O ATOM 46458 O2P G B2214 -830.595 -9.239 82.322 1.00855.43 O ATOM 46459 O5* G B2214 -828.308 -9.883 83.084 1.00855.43 O ATOM 46460 C5* G B2214 -826.886 -9.881 83.014 1.00855.43 C ATOM 46461 C4* G B2214 -826.276 -10.303 84.333 1.00855.43 C ATOM 46462 O4* G B2214 -826.496 -9.294 85.351 1.00855.43 O ATOM 46463 C3* G B2214 -826.829 -11.580 84.943 1.00855.43 C ATOM 46464 O3* G B2214 -826.261 -12.755 84.377 1.00855.43 O ATOM 46465 C2* G B2214 -826.435 -11.434 86.412 1.00855.43 C ATOM 46466 O2* G B2214 -825.108 -11.853 86.657 1.00855.43 O ATOM 46467 C1* G B2214 -826.520 -9.920 86.626 1.00855.43 C ATOM 46468 N9 G B2214 -827.701 -9.484 87.363 1.00855.43 N ATOM 46469 C8 G B2214 -828.810 -8.841 86.872 1.00855.43 C ATOM 46470 N7 G B2214 -829.706 -8.591 87.791 1.00855.43 N ATOM 46471 C5 G B2214 -829.156 -9.098 88.962 1.00855.43 C ATOM 46472 C6 G B2214 -829.672 -9.125 90.296 1.00855.43 C ATOM 46473 O6 G B2214 -830.750 -8.689 90.720 1.00855.43 O ATOM 46474 N1 G B2214 -828.784 -9.744 91.171 1.00855.43 N ATOM 46475 C2 G B2214 -827.561 -10.264 90.820 1.00855.43 C ATOM 46476 N2 G B2214 -826.843 -10.814 91.811 1.00855.43 N ATOM 46477 N3 G B2214 -827.074 -10.246 89.587 1.00855.43 N ATOM 46478 C4 G B2214 -827.918 -9.653 88.716 1.00855.43 C ATOM 46479 P C B2215 -827.108 -14.119 84.361 1.00855.43 P ATOM 46480 O1P C B2215 -826.354 -15.091 83.528 1.00855.43 O ATOM 46481 O2P C B2215 -828.516 -13.798 84.012 1.00855.43 O ATOM 46482 O5* C B2215 -827.061 -14.619 85.872 1.00855.43 O ATOM 46483 C5* C B2215 -825.812 -14.853 86.517 1.00855.43 C ATOM 46484 C4* C B2215 -825.998 -14.998 88.013 1.00855.43 C ATOM 46485 O4* C B2215 -826.465 -13.753 88.593 1.00855.43 O ATOM 46486 C3* C B2215 -827.022 -16.030 88.429 1.00855.43 C ATOM 46487 O3* C B2215 -826.431 -17.324 88.465 1.00855.43 O ATOM 46488 C2* C B2215 -827.432 -15.561 89.822 1.00855.43 C ATOM 46489 O2* C B2215 -826.550 -16.019 90.828 1.00855.43 O ATOM 46490 C1* C B2215 -827.307 -14.038 89.699 1.00855.43 C ATOM 46491 N1 C B2215 -828.599 -13.360 89.506 1.00855.43 N ATOM 46492 C2 C B2215 -829.423 -13.156 90.622 1.00855.43 C ATOM 46493 O2 C B2215 -829.033 -13.543 91.738 1.00855.43 O ATOM 46494 N3 C B2215 -830.619 -12.544 90.458 1.00855.43 N ATOM 46495 C4 C B2215 -830.998 -12.140 89.243 1.00855.43 C ATOM 46496 N4 C B2215 -832.181 -11.535 89.128 1.00855.43 N ATOM 46497 C5 C B2215 -830.177 -12.331 88.094 1.00855.43 C ATOM 46498 C6 C B2215 -828.995 -12.939 88.270 1.00855.43 C ATOM 46499 P G B2216 -827.322 -18.617 88.121 1.00855.43 P ATOM 46500 O1P G B2216 -826.435 -19.803 88.174 1.00855.43 O ATOM 46501 O2P G B2216 -828.091 -18.330 86.880 1.00855.43 O ATOM 46502 O5* G B2216 -828.354 -18.707 89.329 1.00855.43 O ATOM 46503 C5* G B2216 -827.907 -18.918 90.668 1.00855.43 C ATOM 46504 C4* G B2216 -829.020 -18.598 91.637 1.00855.43 C ATOM 46505 O4* G B2216 -829.343 -17.188 91.538 1.00855.43 O ATOM 46506 C3* G B2216 -830.340 -19.308 91.393 1.00855.43 C ATOM 46507 O3* G B2216 -830.347 -20.608 91.966 1.00855.43 O ATOM 46508 C2* G B2216 -831.351 -18.367 92.030 1.00855.43 C ATOM 46509 O2* G B2216 -831.453 -18.544 93.429 1.00855.43 O ATOM 46510 C1* G B2216 -830.731 -16.999 91.733 1.00855.43 C ATOM 46511 N9 G B2216 -831.260 -16.387 90.518 1.00855.43 N ATOM 46512 C8 G B2216 -830.769 -16.546 89.245 1.00855.43 C ATOM 46513 N7 G B2216 -831.440 -15.875 88.350 1.00855.43 N ATOM 46514 C5 G B2216 -832.433 -15.234 89.074 1.00855.43 C ATOM 46515 C6 G B2216 -833.463 -14.362 88.640 1.00855.43 C ATOM 46516 O6 G B2216 -833.708 -13.968 87.497 1.00855.43 O ATOM 46517 N1 G B2216 -834.254 -13.941 89.705 1.00855.43 N ATOM 46518 C2 G B2216 -834.077 -14.307 91.016 1.00855.43 C ATOM 46519 N2 G B2216 -834.950 -13.796 91.895 1.00855.43 N ATOM 46520 N3 G B2216 -833.116 -15.119 91.434 1.00855.43 N ATOM 46521 C4 G B2216 -832.338 -15.542 90.416 1.00855.43 C ATOM 46522 P G B2217 -830.896 -21.850 91.107 1.00855.43 P ATOM 46523 O1P G B2217 -829.721 -22.673 90.726 1.00855.43 O ATOM 46524 O2P G B2217 -831.798 -21.330 90.049 1.00855.43 O ATOM 46525 O5* G B2217 -831.769 -22.690 92.146 1.00855.43 O ATOM 46526 C5* G B2217 -832.907 -22.115 92.783 1.00855.43 C ATOM 46527 C4* G B2217 -834.126 -22.974 92.540 1.00855.43 C ATOM 46528 O4* G B2217 -834.512 -22.891 91.148 1.00855.43 O ATOM 46529 C3* G B2217 -833.921 -24.444 92.789 1.00855.43 C ATOM 46530 O3* G B2217 -834.154 -24.742 94.159 1.00855.43 O ATOM 46531 C2* G B2217 -834.967 -25.114 91.899 1.00855.43 C ATOM 46532 O2* G B2217 -836.218 -25.249 92.544 1.00855.43 O ATOM 46533 C1* G B2217 -835.096 -24.115 90.745 1.00855.43 C ATOM 46534 N9 G B2217 -834.452 -24.547 89.508 1.00855.43 N ATOM 46535 C8 G B2217 -835.043 -24.675 88.275 1.00855.43 C ATOM 46536 N7 G B2217 -834.227 -25.106 87.354 1.00855.43 N ATOM 46537 C5 G B2217 -833.017 -25.268 88.016 1.00855.43 C ATOM 46538 C6 G B2217 -831.759 -25.714 87.539 1.00855.43 C ATOM 46539 O6 G B2217 -831.454 -26.081 86.400 1.00855.43 O ATOM 46540 N1 G B2217 -830.802 -25.715 88.549 1.00855.43 N ATOM 46541 C2 G B2217 -831.023 -25.337 89.848 1.00855.43 C ATOM 46542 N2 G B2217 -829.969 -25.399 90.673 1.00855.43 N ATOM 46543 N3 G B2217 -832.193 -24.928 90.307 1.00855.43 N ATOM 46544 C4 G B2217 -833.137 -24.919 89.348 1.00855.43 C ATOM 46545 P G B2218 -833.030 -24.404 95.255 1.00855.43 P ATOM 46546 O1P G B2218 -831.714 -24.336 94.569 1.00855.43 O ATOM 46547 O2P G B2218 -833.207 -25.326 96.405 1.00855.43 O ATOM 46548 O5* G B2218 -833.424 -22.937 95.730 1.00855.43 O ATOM 46549 C5* G B2218 -833.309 -22.561 97.098 1.00855.43 C ATOM 46550 C4* G B2218 -834.411 -21.600 97.485 1.00855.43 C ATOM 46551 O4* G B2218 -834.032 -20.241 97.147 1.00855.43 O ATOM 46552 C3* G B2218 -835.750 -21.791 96.808 1.00855.43 C ATOM 46553 O3* G B2218 -836.503 -22.811 97.441 1.00855.43 O ATOM 46554 C2* G B2218 -836.388 -20.413 96.935 1.00855.43 C ATOM 46555 O2* G B2218 -836.972 -20.210 98.207 1.00855.43 O ATOM 46556 C1* G B2218 -835.179 -19.494 96.785 1.00855.43 C ATOM 46557 N9 G B2218 -834.990 -19.022 95.417 1.00855.43 N ATOM 46558 C8 G B2218 -834.038 -19.449 94.523 1.00855.43 C ATOM 46559 N7 G B2218 -834.125 -18.862 93.362 1.00855.43 N ATOM 46560 C5 G B2218 -835.198 -17.990 93.496 1.00855.43 C ATOM 46561 C6 G B2218 -835.770 -17.087 92.561 1.00855.43 C ATOM 46562 O6 G B2218 -835.432 -16.873 91.390 1.00855.43 O ATOM 46563 N1 G B2218 -836.843 -16.391 93.110 1.00855.43 N ATOM 46564 C2 G B2218 -837.305 -16.548 94.397 1.00855.43 C ATOM 46565 N2 G B2218 -838.351 -15.783 94.748 1.00855.43 N ATOM 46566 N3 G B2218 -836.782 -17.388 95.278 1.00855.43 N ATOM 46567 C4 G B2218 -835.738 -18.072 94.761 1.00855.43 C ATOM 46568 P U B2219 -837.330 -23.851 96.543 1.00855.43 P ATOM 46569 O1P U B2219 -837.844 -24.909 97.448 1.00855.43 O ATOM 46570 O2P U B2219 -836.495 -24.227 95.373 1.00855.43 O ATOM 46571 O5* U B2219 -838.562 -22.987 96.028 1.00855.43 O ATOM 46572 C5* U B2219 -839.573 -22.556 96.932 1.00855.43 C ATOM 46573 C4* U B2219 -840.368 -21.430 96.325 1.00855.43 C ATOM 46574 O4* U B2219 -839.478 -20.338 95.967 1.00855.43 O ATOM 46575 C3* U B2219 -841.124 -21.735 95.046 1.00855.43 C ATOM 46576 O3* U B2219 -842.365 -22.365 95.316 1.00855.43 O ATOM 46577 C2* U B2219 -841.283 -20.357 94.418 1.00855.43 C ATOM 46578 O2* U B2219 -842.369 -19.635 94.967 1.00855.43 O ATOM 46579 C1* U B2219 -839.970 -19.683 94.808 1.00855.43 C ATOM 46580 N1 U B2219 -838.963 -19.816 93.745 1.00855.43 N ATOM 46581 C2 U B2219 -839.021 -18.922 92.695 1.00855.43 C ATOM 46582 O2 U B2219 -839.842 -18.020 92.637 1.00855.43 O ATOM 46583 N3 U B2219 -838.079 -19.119 91.715 1.00855.43 N ATOM 46584 C4 U B2219 -837.104 -20.096 91.685 1.00855.43 C ATOM 46585 O4 U B2219 -836.336 -20.159 90.725 1.00855.43 O ATOM 46586 C5 U B2219 -837.102 -20.973 92.815 1.00855.43 C ATOM 46587 C6 U B2219 -838.010 -20.804 93.784 1.00855.43 C ATOM 46588 P A B2220 -843.017 -23.332 94.210 1.00855.43 P ATOM 46589 O1P A B2220 -844.284 -23.867 94.760 1.00855.43 O ATOM 46590 O2P A B2220 -841.965 -24.269 93.740 1.00855.43 O ATOM 46591 O5* A B2220 -843.367 -22.343 93.012 1.00855.43 O ATOM 46592 C5* A B2220 -844.465 -21.439 93.114 1.00855.43 C ATOM 46593 C4* A B2220 -844.896 -20.975 91.743 1.00855.43 C ATOM 46594 O4* A B2220 -843.792 -20.324 91.065 1.00855.43 O ATOM 46595 C3* A B2220 -845.345 -22.094 90.806 1.00855.43 C ATOM 46596 O3* A B2220 -846.713 -22.454 90.975 1.00855.43 O ATOM 46597 C2* A B2220 -845.064 -21.504 89.427 1.00855.43 C ATOM 46598 O2* A B2220 -846.103 -20.657 88.978 1.00855.43 O ATOM 46599 C1* A B2220 -843.807 -20.672 89.691 1.00855.43 C ATOM 46600 N9 A B2220 -842.565 -21.380 89.378 1.00855.43 N ATOM 46601 C8 A B2220 -841.838 -22.211 90.195 1.00855.43 C ATOM 46602 N7 A B2220 -840.760 -22.696 89.630 1.00855.43 N ATOM 46603 C5 A B2220 -840.776 -22.149 88.353 1.00855.43 C ATOM 46604 C6 A B2220 -839.900 -22.270 87.257 1.00855.43 C ATOM 46605 N6 A B2220 -838.790 -23.015 87.273 1.00855.43 N ATOM 46606 N1 A B2220 -840.207 -21.590 86.130 1.00855.43 N ATOM 46607 C2 A B2220 -841.320 -20.842 86.118 1.00855.43 C ATOM 46608 N3 A B2220 -842.218 -20.649 87.079 1.00855.43 N ATOM 46609 C4 A B2220 -841.885 -21.338 88.185 1.00855.43 C ATOM 46610 P G B2221 -847.252 -23.834 90.358 1.00855.43 P ATOM 46611 O1P G B2221 -848.589 -24.086 90.956 1.00855.43 O ATOM 46612 O2P G B2221 -846.185 -24.858 90.492 1.00855.43 O ATOM 46613 O5* G B2221 -847.452 -23.510 88.812 1.00855.43 O ATOM 46614 C5* G B2221 -848.472 -22.611 88.392 1.00855.43 C ATOM 46615 C4* G B2221 -848.320 -22.284 86.923 1.00855.43 C ATOM 46616 O4* G B2221 -847.027 -21.680 86.671 1.00855.43 O ATOM 46617 C3* G B2221 -848.386 -23.472 85.980 1.00855.43 C ATOM 46618 O3* G B2221 -849.731 -23.804 85.668 1.00855.43 O ATOM 46619 C2* G B2221 -847.627 -22.968 84.756 1.00855.43 C ATOM 46620 O2* G B2221 -848.441 -22.200 83.892 1.00855.43 O ATOM 46621 C1* G B2221 -846.565 -22.070 85.389 1.00855.43 C ATOM 46622 N9 G B2221 -845.281 -22.752 85.535 1.00855.43 N ATOM 46623 C8 G B2221 -844.833 -23.463 86.621 1.00855.43 C ATOM 46624 N7 G B2221 -843.644 -23.976 86.443 1.00855.43 N ATOM 46625 C5 G B2221 -843.288 -23.574 85.162 1.00855.43 C ATOM 46626 C6 G B2221 -842.103 -23.825 84.416 1.00855.43 C ATOM 46627 O6 G B2221 -841.105 -24.478 84.744 1.00855.43 O ATOM 46628 N1 G B2221 -842.154 -23.223 83.161 1.00855.43 N ATOM 46629 C2 G B2221 -843.205 -22.481 82.685 1.00855.43 C ATOM 46630 N2 G B2221 -843.063 -21.981 81.447 1.00855.43 N ATOM 46631 N3 G B2221 -844.314 -22.241 83.369 1.00855.43 N ATOM 46632 C4 G B2221 -844.284 -22.815 84.593 1.00855.43 C ATOM 46633 P U B2222 -850.057 -25.217 84.976 1.00855.43 P ATOM 46634 O1P U B2222 -851.514 -25.248 84.685 1.00855.43 O ATOM 46635 O2P U B2222 -849.453 -26.291 85.805 1.00855.43 O ATOM 46636 O5* U B2222 -849.275 -25.152 83.589 1.00855.43 O ATOM 46637 C5* U B2222 -848.787 -26.338 82.963 1.00855.43 C ATOM 46638 C4* U B2222 -847.881 -25.981 81.806 1.00855.43 C ATOM 46639 O4* U B2222 -846.750 -25.221 82.305 1.00855.43 O ATOM 46640 C3* U B2222 -847.246 -27.155 81.083 1.00855.43 C ATOM 46641 O3* U B2222 -848.118 -27.685 80.089 1.00855.43 O ATOM 46642 C2* U B2222 -845.997 -26.536 80.469 1.00855.43 C ATOM 46643 O2* U B2222 -846.265 -25.861 79.256 1.00855.43 O ATOM 46644 C1* U B2222 -845.591 -25.526 81.545 1.00855.43 C ATOM 46645 N1 U B2222 -844.585 -26.076 82.464 1.00855.43 N ATOM 46646 C2 U B2222 -843.268 -26.113 82.038 1.00855.43 C ATOM 46647 O2 U B2222 -842.908 -25.676 80.957 1.00855.43 O ATOM 46648 N3 U B2222 -842.390 -26.678 82.930 1.00855.43 N ATOM 46649 C4 U B2222 -842.688 -27.197 84.176 1.00855.43 C ATOM 46650 O4 U B2222 -841.804 -27.749 84.832 1.00855.43 O ATOM 46651 C5 U B2222 -844.064 -27.095 84.548 1.00855.43 C ATOM 46652 C6 U B2222 -844.943 -26.553 83.703 1.00855.43 C ATOM 46653 P U B2223 -847.953 -29.219 79.632 1.00855.43 P ATOM 46654 O1P U B2223 -849.120 -29.562 78.783 1.00855.43 O ATOM 46655 O2P U B2223 -847.664 -30.029 80.843 1.00855.43 O ATOM 46656 O5* U B2223 -846.649 -29.219 78.718 1.00855.43 O ATOM 46657 C5* U B2223 -846.594 -28.447 77.517 1.00855.43 C ATOM 46658 C4* U B2223 -845.163 -28.346 77.032 1.00855.43 C ATOM 46659 O4* U B2223 -844.353 -27.749 78.076 1.00855.43 O ATOM 46660 C3* U B2223 -844.453 -29.649 76.727 1.00855.43 C ATOM 46661 O3* U B2223 -844.755 -30.071 75.401 1.00855.43 O ATOM 46662 C2* U B2223 -842.980 -29.286 76.882 1.00855.43 C ATOM 46663 O2* U B2223 -842.437 -28.712 75.707 1.00855.43 O ATOM 46664 C1* U B2223 -843.028 -28.233 77.989 1.00855.43 C ATOM 46665 N1 U B2223 -842.645 -28.754 79.311 1.00855.43 N ATOM 46666 C2 U B2223 -841.301 -28.929 79.575 1.00855.43 C ATOM 46667 O2 U B2223 -840.428 -28.680 78.760 1.00855.43 O ATOM 46668 N3 U B2223 -841.016 -29.409 80.830 1.00855.43 N ATOM 46669 C4 U B2223 -841.921 -29.722 81.824 1.00855.43 C ATOM 46670 O4 U B2223 -841.506 -30.125 82.913 1.00855.43 O ATOM 46671 C5 U B2223 -843.291 -29.518 81.470 1.00855.43 C ATOM 46672 C6 U B2223 -843.600 -29.053 80.258 1.00855.43 C ATOM 46673 P U B2224 -844.712 -31.636 75.027 1.00855.43 P ATOM 46674 O1P U B2224 -844.853 -31.734 73.552 1.00855.43 O ATOM 46675 O2P U B2224 -845.667 -32.354 75.907 1.00855.43 O ATOM 46676 O5* U B2224 -843.232 -32.091 75.410 1.00855.43 O ATOM 46677 C5* U B2224 -842.113 -31.618 74.668 1.00855.43 C ATOM 46678 C4* U B2224 -840.830 -31.869 75.429 1.00855.43 C ATOM 46679 O4* U B2224 -840.863 -31.154 76.689 1.00855.43 O ATOM 46680 C3* U B2224 -840.596 -33.342 75.792 1.00855.43 C ATOM 46681 O3* U B2224 -839.905 -34.083 74.798 1.00855.43 O ATOM 46682 C2* U B2224 -839.768 -33.241 77.067 1.00855.43 C ATOM 46683 O2* U B2224 -838.393 -33.054 76.798 1.00855.43 O ATOM 46684 C1* U B2224 -840.339 -31.981 77.717 1.00855.43 C ATOM 46685 N1 U B2224 -841.399 -32.253 78.696 1.00855.43 N ATOM 46686 C2 U B2224 -841.019 -32.445 80.007 1.00855.43 C ATOM 46687 O2 U B2224 -839.862 -32.383 80.374 1.00855.43 O ATOM 46688 N3 U B2224 -842.049 -32.714 80.877 1.00855.43 N ATOM 46689 C4 U B2224 -843.390 -32.806 80.570 1.00855.43 C ATOM 46690 O4 U B2224 -844.196 -33.071 81.467 1.00855.43 O ATOM 46691 C5 U B2224 -843.703 -32.585 79.192 1.00855.43 C ATOM 46692 C6 U B2224 -842.724 -32.321 78.324 1.00855.43 C ATOM 46693 P G B2225 -840.354 -35.593 74.479 1.00855.43 P ATOM 46694 O1P G B2225 -840.782 -36.214 75.759 1.00855.43 O ATOM 46695 O2P G B2225 -839.291 -36.238 73.670 1.00855.43 O ATOM 46696 O5* G B2225 -841.641 -35.419 73.562 1.00855.43 O ATOM 46697 C5* G B2225 -842.847 -34.872 74.084 1.00855.43 C ATOM 46698 C4* G B2225 -843.733 -34.419 72.956 1.00855.43 C ATOM 46699 O4* G B2225 -843.100 -33.327 72.240 1.00855.43 O ATOM 46700 C3* G B2225 -843.980 -35.472 71.895 1.00855.43 C ATOM 46701 O3* G B2225 -845.033 -36.337 72.304 1.00855.43 O ATOM 46702 C2* G B2225 -844.306 -34.640 70.659 1.00855.43 C ATOM 46703 O2* G B2225 -845.660 -34.234 70.615 1.00855.43 O ATOM 46704 C1* G B2225 -843.412 -33.413 70.864 1.00855.43 C ATOM 46705 N9 G B2225 -842.154 -33.462 70.125 1.00855.43 N ATOM 46706 C8 G B2225 -840.904 -33.176 70.619 1.00855.43 C ATOM 46707 N7 G B2225 -839.958 -33.295 69.728 1.00855.43 N ATOM 46708 C5 G B2225 -840.622 -33.685 68.571 1.00855.43 C ATOM 46709 C6 G B2225 -840.119 -33.970 67.279 1.00855.43 C ATOM 46710 O6 G B2225 -838.949 -33.927 66.876 1.00855.43 O ATOM 46711 N1 G B2225 -841.137 -34.335 66.403 1.00855.43 N ATOM 46712 C2 G B2225 -842.468 -34.415 66.729 1.00855.43 C ATOM 46713 N2 G B2225 -843.293 -34.791 65.741 1.00855.43 N ATOM 46714 N3 G B2225 -842.953 -34.152 67.934 1.00855.43 N ATOM 46715 C4 G B2225 -841.979 -33.795 68.799 1.00855.43 C ATOM 46716 P A B2226 -844.704 -37.613 73.225 1.00855.43 P ATOM 46717 O1P A B2226 -845.196 -37.321 74.593 1.00855.43 O ATOM 46718 O2P A B2226 -843.281 -37.991 73.016 1.00855.43 O ATOM 46719 O5* A B2226 -845.620 -38.753 72.601 1.00855.43 O ATOM 46720 C5* A B2226 -846.863 -38.426 71.991 1.00855.43 C ATOM 46721 C4* A B2226 -846.742 -38.501 70.493 1.00855.43 C ATOM 46722 O4* A B2226 -845.699 -37.611 70.026 1.00855.43 O ATOM 46723 C3* A B2226 -846.283 -39.839 69.976 1.00855.43 C ATOM 46724 O3* A B2226 -847.423 -40.685 69.913 1.00855.43 O ATOM 46725 C2* A B2226 -845.685 -39.528 68.608 1.00855.43 C ATOM 46726 O2* A B2226 -846.661 -39.524 67.589 1.00855.43 O ATOM 46727 C1* A B2226 -845.166 -38.100 68.809 1.00855.43 C ATOM 46728 N9 A B2226 -843.708 -38.006 68.869 1.00855.43 N ATOM 46729 C8 A B2226 -842.903 -38.040 69.980 1.00855.43 C ATOM 46730 N7 A B2226 -841.624 -37.917 69.712 1.00855.43 N ATOM 46731 C5 A B2226 -841.583 -37.799 68.331 1.00855.43 C ATOM 46732 C6 A B2226 -840.520 -37.643 67.424 1.00855.43 C ATOM 46733 N6 A B2226 -839.239 -37.564 67.789 1.00855.43 N ATOM 46734 N1 A B2226 -840.822 -37.561 66.109 1.00855.43 N ATOM 46735 C2 A B2226 -842.106 -37.636 65.741 1.00855.43 C ATOM 46736 N3 A B2226 -843.193 -37.783 66.496 1.00855.43 N ATOM 46737 C4 A B2226 -842.860 -37.859 67.797 1.00855.43 C ATOM 46738 P C B2227 -847.290 -42.225 70.342 1.00855.43 P ATOM 46739 O1P C B2227 -848.497 -42.571 71.135 1.00855.43 O ATOM 46740 O2P C B2227 -845.941 -42.431 70.928 1.00855.43 O ATOM 46741 O5* C B2227 -847.364 -42.999 68.952 1.00855.43 O ATOM 46742 C5* C B2227 -847.922 -42.360 67.812 1.00855.43 C ATOM 46743 C4* C B2227 -846.998 -42.485 66.624 1.00855.43 C ATOM 46744 O4* C B2227 -845.724 -41.853 66.914 1.00855.43 O ATOM 46745 C3* C B2227 -846.649 -43.903 66.255 1.00855.43 C ATOM 46746 O3* C B2227 -847.649 -44.468 65.417 1.00855.43 O ATOM 46747 C2* C B2227 -845.326 -43.745 65.513 1.00855.43 C ATOM 46748 O2* C B2227 -845.501 -43.420 64.150 1.00855.43 O ATOM 46749 C1* C B2227 -844.692 -42.555 66.236 1.00855.43 C ATOM 46750 N1 C B2227 -843.656 -42.959 67.202 1.00855.43 N ATOM 46751 C2 C B2227 -842.472 -43.502 66.703 1.00855.43 C ATOM 46752 O2 C B2227 -842.340 -43.616 65.473 1.00855.43 O ATOM 46753 N3 C B2227 -841.501 -43.887 67.564 1.00855.43 N ATOM 46754 C4 C B2227 -841.686 -43.745 68.879 1.00855.43 C ATOM 46755 N4 C B2227 -840.705 -44.139 69.696 1.00855.43 N ATOM 46756 C5 C B2227 -842.886 -43.193 69.418 1.00855.43 C ATOM 46757 C6 C B2227 -843.839 -42.814 68.549 1.00855.43 C ATOM 46758 P U B2228 -848.411 -45.804 65.885 1.00855.43 P ATOM 46759 O1P U B2228 -849.783 -45.757 65.320 1.00855.43 O ATOM 46760 O2P U B2228 -848.227 -45.943 67.351 1.00855.43 O ATOM 46761 O5* U B2228 -847.611 -46.983 65.171 1.00855.43 O ATOM 46762 C5* U B2228 -846.314 -46.763 64.615 1.00855.43 C ATOM 46763 C4* U B2228 -845.247 -47.172 65.606 1.00855.43 C ATOM 46764 O4* U B2228 -845.441 -46.435 66.840 1.00855.43 O ATOM 46765 C3* U B2228 -845.265 -48.635 66.001 1.00855.43 C ATOM 46766 O3* U B2228 -844.391 -49.364 65.140 1.00855.43 O ATOM 46767 C2* U B2228 -844.669 -48.628 67.410 1.00855.43 C ATOM 46768 O2* U B2228 -843.261 -48.745 67.406 1.00855.43 O ATOM 46769 C1* U B2228 -845.061 -47.243 67.931 1.00855.43 C ATOM 46770 N1 U B2228 -846.126 -47.216 68.940 1.00855.43 N ATOM 46771 C2 U B2228 -846.310 -46.034 69.630 1.00855.43 C ATOM 46772 O2 U B2228 -845.615 -45.047 69.442 1.00855.43 O ATOM 46773 N3 U B2228 -847.330 -46.049 70.546 1.00855.43 N ATOM 46774 C4 U B2228 -848.167 -47.103 70.839 1.00855.43 C ATOM 46775 O4 U B2228 -849.066 -46.952 71.669 1.00855.43 O ATOM 46776 C5 U B2228 -847.904 -48.298 70.091 1.00855.43 C ATOM 46777 C6 U B2228 -846.917 -48.312 69.189 1.00855.43 C ATOM 46778 P G B2229 -844.754 -49.535 63.583 1.00855.43 P ATOM 46779 O1P G B2229 -844.317 -48.298 62.886 1.00855.43 O ATOM 46780 O2P G B2229 -846.161 -49.988 63.462 1.00855.43 O ATOM 46781 O5* G B2229 -843.802 -50.717 63.104 1.00855.43 O ATOM 46782 C5* G B2229 -843.459 -51.772 63.992 1.00855.43 C ATOM 46783 C4* G B2229 -844.656 -52.661 64.215 1.00855.43 C ATOM 46784 O4* G B2229 -845.039 -53.285 62.967 1.00855.43 O ATOM 46785 C3* G B2229 -844.452 -53.793 65.193 1.00855.43 C ATOM 46786 O3* G B2229 -844.722 -53.329 66.510 1.00855.43 O ATOM 46787 C2* G B2229 -845.458 -54.840 64.731 1.00855.43 C ATOM 46788 O2* G B2229 -846.751 -54.616 65.256 1.00855.43 O ATOM 46789 C1* G B2229 -845.485 -54.603 63.217 1.00855.43 C ATOM 46790 N9 G B2229 -844.640 -55.513 62.452 1.00855.43 N ATOM 46791 C8 G B2229 -843.375 -55.263 61.975 1.00855.43 C ATOM 46792 N7 G B2229 -842.872 -56.269 61.310 1.00855.43 N ATOM 46793 C5 G B2229 -843.860 -57.240 61.359 1.00855.43 C ATOM 46794 C6 G B2229 -843.891 -58.549 60.811 1.00855.43 C ATOM 46795 O6 G B2229 -843.022 -59.129 60.153 1.00855.43 O ATOM 46796 N1 G B2229 -845.092 -59.194 61.097 1.00855.43 N ATOM 46797 C2 G B2229 -846.130 -58.651 61.815 1.00855.43 C ATOM 46798 N2 G B2229 -847.205 -59.431 61.984 1.00855.43 N ATOM 46799 N3 G B2229 -846.115 -57.433 62.326 1.00855.43 N ATOM 46800 C4 G B2229 -844.957 -56.790 62.061 1.00855.43 C ATOM 46801 P G B2230 -843.528 -52.740 67.413 1.00855.43 P ATOM 46802 O1P G B2230 -843.275 -51.344 66.971 1.00855.43 O ATOM 46803 O2P G B2230 -842.415 -53.725 67.413 1.00855.43 O ATOM 46804 O5* G B2230 -844.155 -52.695 68.877 1.00855.43 O ATOM 46805 C5* G B2230 -845.496 -52.256 69.081 1.00855.43 C ATOM 46806 C4* G B2230 -845.795 -52.166 70.559 1.00855.43 C ATOM 46807 O4* G B2230 -845.618 -53.476 71.159 1.00855.43 O ATOM 46808 C3* G B2230 -844.945 -51.241 71.420 1.00855.43 C ATOM 46809 O3* G B2230 -845.381 -49.885 71.353 1.00855.43 O ATOM 46810 C2* G B2230 -845.116 -51.836 72.815 1.00855.43 C ATOM 46811 O2* G B2230 -846.298 -51.403 73.452 1.00855.43 O ATOM 46812 C1* G B2230 -845.224 -53.332 72.508 1.00855.43 C ATOM 46813 N9 G B2230 -843.969 -54.050 72.691 1.00855.43 N ATOM 46814 C8 G B2230 -843.323 -54.843 71.775 1.00855.43 C ATOM 46815 N7 G B2230 -842.222 -55.368 72.237 1.00855.43 N ATOM 46816 C5 G B2230 -842.134 -54.886 73.536 1.00855.43 C ATOM 46817 C6 G B2230 -841.156 -55.108 74.527 1.00855.43 C ATOM 46818 O6 G B2230 -840.138 -55.804 74.461 1.00855.43 O ATOM 46819 N1 G B2230 -841.452 -54.414 75.697 1.00855.43 N ATOM 46820 C2 G B2230 -842.550 -53.614 75.886 1.00855.43 C ATOM 46821 N2 G B2230 -842.660 -53.014 77.079 1.00855.43 N ATOM 46822 N3 G B2230 -843.473 -53.408 74.968 1.00855.43 N ATOM 46823 C4 G B2230 -843.203 -54.069 73.827 1.00855.43 C ATOM 46824 P G B2231 -844.355 -48.700 71.701 1.00855.43 P ATOM 46825 O1P G B2231 -845.157 -47.466 71.901 1.00855.43 O ATOM 46826 O2P G B2231 -843.263 -48.712 70.694 1.00855.43 O ATOM 46827 O5* G B2231 -843.736 -49.113 73.109 1.00855.43 O ATOM 46828 C5* G B2231 -844.449 -48.880 74.321 1.00855.43 C ATOM 46829 C4* G B2231 -843.485 -48.512 75.424 1.00855.43 C ATOM 46830 O4* G B2231 -842.748 -49.695 75.814 1.00855.43 O ATOM 46831 C3* G B2231 -842.405 -47.490 75.134 1.00855.43 C ATOM 46832 O3* G B2231 -842.918 -46.170 75.252 1.00855.43 O ATOM 46833 C2* G B2231 -841.346 -47.800 76.183 1.00855.43 C ATOM 46834 O2* G B2231 -841.608 -47.186 77.426 1.00855.43 O ATOM 46835 C1* G B2231 -841.481 -49.322 76.320 1.00855.43 C ATOM 46836 N9 G B2231 -840.461 -50.041 75.565 1.00855.43 N ATOM 46837 C8 G B2231 -840.646 -50.873 74.486 1.00855.43 C ATOM 46838 N7 G B2231 -839.527 -51.360 74.019 1.00855.43 N ATOM 46839 C5 G B2231 -838.549 -50.816 74.841 1.00855.43 C ATOM 46840 C6 G B2231 -837.136 -50.973 74.829 1.00855.43 C ATOM 46841 O6 G B2231 -836.439 -51.642 74.057 1.00855.43 O ATOM 46842 N1 G B2231 -836.536 -50.246 75.851 1.00855.43 N ATOM 46843 C2 G B2231 -837.203 -49.470 76.765 1.00855.43 C ATOM 46844 N2 G B2231 -836.463 -48.859 77.693 1.00855.43 N ATOM 46845 N3 G B2231 -838.510 -49.305 76.779 1.00855.43 N ATOM 46846 C4 G B2231 -839.115 -50.002 75.800 1.00855.43 C ATOM 46847 P G B2232 -842.727 -45.129 74.047 1.00855.43 P ATOM 46848 O1P G B2232 -843.103 -43.784 74.547 1.00855.43 O ATOM 46849 O2P G B2232 -843.409 -45.682 72.850 1.00855.43 O ATOM 46850 O5* G B2232 -841.157 -45.139 73.768 1.00855.43 O ATOM 46851 C5* G B2232 -840.238 -44.644 74.741 1.00855.43 C ATOM 46852 C4* G B2232 -838.876 -45.265 74.529 1.00855.43 C ATOM 46853 O4* G B2232 -838.990 -46.707 74.474 1.00855.43 O ATOM 46854 C3* G B2232 -838.105 -44.855 73.264 1.00855.43 C ATOM 46855 O3* G B2232 -837.363 -43.653 73.448 1.00855.43 O ATOM 46856 C2* G B2232 -837.197 -46.059 73.029 1.00855.43 C ATOM 46857 O2* G B2232 -836.002 -45.995 73.781 1.00855.43 O ATOM 46858 C1* G B2232 -838.054 -47.219 73.546 1.00855.43 C ATOM 46859 N9 G B2232 -838.777 -47.978 72.529 1.00855.43 N ATOM 46860 C8 G B2232 -840.054 -47.753 72.078 1.00855.43 C ATOM 46861 N7 G B2232 -840.447 -48.626 71.190 1.00855.43 N ATOM 46862 C5 G B2232 -839.360 -49.473 71.037 1.00855.43 C ATOM 46863 C6 G B2232 -839.193 -50.619 70.211 1.00855.43 C ATOM 46864 O6 G B2232 -840.004 -51.132 69.434 1.00855.43 O ATOM 46865 N1 G B2232 -837.928 -51.178 70.366 1.00855.43 N ATOM 46866 C2 G B2232 -836.948 -50.701 71.203 1.00855.43 C ATOM 46867 N2 G B2232 -835.788 -51.376 71.201 1.00855.43 N ATOM 46868 N3 G B2232 -837.092 -49.643 71.981 1.00855.43 N ATOM 46869 C4 G B2232 -838.315 -49.080 71.848 1.00855.43 C ATOM 46870 P C B2233 -836.379 -43.133 72.292 1.00855.43 P ATOM 46871 O1P C B2233 -836.184 -41.677 72.518 1.00855.43 O ATOM 46872 O2P C B2233 -836.887 -43.609 70.981 1.00855.43 O ATOM 46873 O5* C B2233 -834.997 -43.866 72.602 1.00855.43 O ATOM 46874 C5* C B2233 -834.126 -43.368 73.614 1.00855.43 C ATOM 46875 C4* C B2233 -832.723 -43.884 73.410 1.00855.43 C ATOM 46876 O4* C B2233 -832.675 -45.316 73.638 1.00855.43 O ATOM 46877 C3* C B2233 -832.215 -43.689 71.987 1.00855.43 C ATOM 46878 O3* C B2233 -831.625 -42.406 71.791 1.00855.43 O ATOM 46879 C2* C B2233 -831.184 -44.804 71.846 1.00855.43 C ATOM 46880 O2* C B2233 -829.922 -44.447 72.371 1.00855.43 O ATOM 46881 C1* C B2233 -831.797 -45.915 72.699 1.00855.43 C ATOM 46882 N1 C B2233 -832.542 -46.907 71.913 1.00855.43 N ATOM 46883 C2 C B2233 -831.839 -47.687 70.986 1.00855.43 C ATOM 46884 O2 C B2233 -830.614 -47.528 70.875 1.00855.43 O ATOM 46885 N3 C B2233 -832.511 -48.594 70.242 1.00855.43 N ATOM 46886 C4 C B2233 -833.828 -48.735 70.393 1.00855.43 C ATOM 46887 N4 C B2233 -834.453 -49.639 69.630 1.00855.43 N ATOM 46888 C5 C B2233 -834.569 -47.959 71.329 1.00855.43 C ATOM 46889 C6 C B2233 -833.891 -47.065 72.062 1.00855.43 C ATOM 46890 P G B2234 -831.751 -41.689 70.359 1.00855.43 P ATOM 46891 O1P G B2234 -830.667 -40.679 70.265 1.00855.43 O ATOM 46892 O2P G B2234 -833.162 -41.269 70.166 1.00855.43 O ATOM 46893 O5* G B2234 -831.436 -42.854 69.322 1.00855.43 O ATOM 46894 C5* G B2234 -830.101 -43.310 69.110 1.00855.43 C ATOM 46895 C4* G B2234 -830.099 -44.466 68.138 1.00855.43 C ATOM 46896 O4* G B2234 -830.840 -45.579 68.700 1.00855.43 O ATOM 46897 C3* G B2234 -830.789 -44.228 66.815 1.00855.43 C ATOM 46898 O3* G B2234 -829.953 -43.501 65.924 1.00855.43 O ATOM 46899 C2* G B2234 -831.106 -45.638 66.336 1.00855.43 C ATOM 46900 O2* G B2234 -830.008 -46.261 65.701 1.00855.43 O ATOM 46901 C1* G B2234 -831.417 -46.346 67.654 1.00855.43 C ATOM 46902 N9 G B2234 -832.849 -46.437 67.916 1.00855.43 N ATOM 46903 C8 G B2234 -833.547 -45.751 68.879 1.00855.43 C ATOM 46904 N7 G B2234 -834.829 -46.004 68.864 1.00855.43 N ATOM 46905 C5 G B2234 -834.986 -46.921 67.837 1.00855.43 C ATOM 46906 C6 G B2234 -836.155 -47.557 67.347 1.00855.43 C ATOM 46907 O6 G B2234 -837.325 -47.433 67.734 1.00855.43 O ATOM 46908 N1 G B2234 -835.867 -48.416 66.291 1.00855.43 N ATOM 46909 C2 G B2234 -834.614 -48.632 65.769 1.00855.43 C ATOM 46910 N2 G B2234 -834.546 -49.499 64.750 1.00855.43 N ATOM 46911 N3 G B2234 -833.516 -48.044 66.216 1.00855.43 N ATOM 46912 C4 G B2234 -833.772 -47.208 67.244 1.00855.43 C ATOM 46913 P G B2235 -830.579 -42.316 65.042 1.00855.43 P ATOM 46914 O1P G B2235 -829.524 -41.828 64.117 1.00855.43 O ATOM 46915 O2P G B2235 -831.251 -41.358 65.959 1.00855.43 O ATOM 46916 O5* G B2235 -831.701 -43.045 64.181 1.00855.43 O ATOM 46917 C5* G B2235 -831.351 -44.042 63.226 1.00855.43 C ATOM 46918 C4* G B2235 -832.550 -44.902 62.910 1.00855.43 C ATOM 46919 O4* G B2235 -833.041 -45.522 64.124 1.00855.43 O ATOM 46920 C3* G B2235 -833.767 -44.188 62.317 1.00855.43 C ATOM 46921 O3* G B2235 -833.679 -43.960 60.917 1.00855.43 O ATOM 46922 C2* G B2235 -834.911 -45.117 62.703 1.00855.43 C ATOM 46923 O2* G B2235 -835.044 -46.209 61.816 1.00855.43 O ATOM 46924 C1* G B2235 -834.454 -45.625 64.071 1.00855.43 C ATOM 46925 N9 G B2235 -834.991 -44.863 65.194 1.00855.43 N ATOM 46926 C8 G B2235 -834.268 -44.105 66.080 1.00855.43 C ATOM 46927 N7 G B2235 -835.002 -43.552 67.006 1.00855.43 N ATOM 46928 C5 G B2235 -836.294 -43.962 66.710 1.00855.43 C ATOM 46929 C6 G B2235 -837.518 -43.680 67.366 1.00855.43 C ATOM 46930 O6 G B2235 -837.708 -42.997 68.381 1.00855.43 O ATOM 46931 N1 G B2235 -838.594 -44.288 66.729 1.00855.43 N ATOM 46932 C2 G B2235 -838.505 -45.070 65.603 1.00855.43 C ATOM 46933 N2 G B2235 -839.662 -45.559 65.138 1.00855.43 N ATOM 46934 N3 G B2235 -837.367 -45.353 64.982 1.00855.43 N ATOM 46935 C4 G B2235 -836.309 -44.768 65.589 1.00855.43 C ATOM 46936 P U B2236 -834.539 -42.780 60.253 1.00855.43 P ATOM 46937 O1P U B2236 -834.723 -43.099 58.811 1.00855.43 O ATOM 46938 O2P U B2236 -833.981 -41.474 60.649 1.00855.43 O ATOM 46939 O5* U B2236 -835.937 -42.876 60.994 1.00855.43 O ATOM 46940 C5* U B2236 -836.966 -43.723 60.522 1.00855.43 C ATOM 46941 C4* U B2236 -838.243 -42.935 60.430 1.00855.43 C ATOM 46942 O4* U B2236 -838.707 -42.627 61.773 1.00855.43 O ATOM 46943 C3* U B2236 -838.110 -41.578 59.774 1.00855.43 C ATOM 46944 O3* U B2236 -838.166 -41.676 58.356 1.00855.43 O ATOM 46945 C2* U B2236 -839.276 -40.794 60.362 1.00855.43 C ATOM 46946 O2* U B2236 -840.490 -41.038 59.681 1.00855.43 O ATOM 46947 C1* U B2236 -839.357 -41.369 61.778 1.00855.43 C ATOM 46948 N1 U B2236 -838.718 -40.510 62.790 1.00855.43 N ATOM 46949 C2 U B2236 -839.447 -39.442 63.274 1.00855.43 C ATOM 46950 O2 U B2236 -840.578 -39.189 62.900 1.00855.43 O ATOM 46951 N3 U B2236 -838.800 -38.676 64.214 1.00855.43 N ATOM 46952 C4 U B2236 -837.525 -38.864 64.706 1.00855.43 C ATOM 46953 O4 U B2236 -837.083 -38.090 65.553 1.00855.43 O ATOM 46954 C5 U B2236 -836.835 -39.992 64.153 1.00855.43 C ATOM 46955 C6 U B2236 -837.438 -40.757 63.236 1.00855.43 C ATOM 46956 P C B2237 -838.051 -40.347 57.465 1.00855.43 P ATOM 46957 O1P C B2237 -837.836 -40.768 56.058 1.00855.43 O ATOM 46958 O2P C B2237 -837.088 -39.419 58.112 1.00855.43 O ATOM 46959 O5* C B2237 -839.511 -39.719 57.579 1.00855.43 O ATOM 46960 C5* C B2237 -839.719 -38.314 57.580 1.00855.43 C ATOM 46961 C4* C B2237 -840.921 -37.974 58.426 1.00855.43 C ATOM 46962 O4* C B2237 -840.611 -38.187 59.826 1.00855.43 O ATOM 46963 C3* C B2237 -841.399 -36.530 58.347 1.00855.43 C ATOM 46964 O3* C B2237 -842.289 -36.364 57.248 1.00855.43 O ATOM 46965 C2* C B2237 -842.122 -36.337 59.679 1.00855.43 C ATOM 46966 O2* C B2237 -843.470 -36.758 59.631 1.00855.43 O ATOM 46967 C1* C B2237 -841.347 -37.273 60.616 1.00855.43 C ATOM 46968 N1 C B2237 -840.439 -36.639 61.589 1.00855.43 N ATOM 46969 C2 C B2237 -840.968 -36.137 62.788 1.00855.43 C ATOM 46970 O2 C B2237 -842.192 -36.203 62.981 1.00855.43 O ATOM 46971 N3 C B2237 -840.136 -35.592 63.703 1.00855.43 N ATOM 46972 C4 C B2237 -838.825 -35.534 63.460 1.00855.43 C ATOM 46973 N4 C B2237 -838.037 -35.003 64.397 1.00855.43 N ATOM 46974 C5 C B2237 -838.259 -36.023 62.244 1.00855.43 C ATOM 46975 C6 C B2237 -839.097 -36.558 61.346 1.00855.43 C ATOM 46976 P G B2238 -843.098 -34.990 57.067 1.00855.43 P ATOM 46977 O1P G B2238 -842.235 -33.887 57.558 1.00855.43 O ATOM 46978 O2P G B2238 -844.453 -35.176 57.645 1.00855.43 O ATOM 46979 O5* G B2238 -843.247 -34.839 55.484 1.00855.43 O ATOM 46980 C5* G B2238 -844.191 -33.929 54.928 1.00855.43 C ATOM 46981 C4* G B2238 -843.629 -33.287 53.681 1.00855.43 C ATOM 46982 O4* G B2238 -842.258 -32.876 53.928 1.00855.43 O ATOM 46983 C3* G B2238 -843.526 -34.143 52.433 1.00855.43 C ATOM 46984 O3* G B2238 -844.766 -34.194 51.741 1.00855.43 O ATOM 46985 C2* G B2238 -842.464 -33.417 51.618 1.00855.43 C ATOM 46986 O2* G B2238 -842.988 -32.317 50.900 1.00855.43 O ATOM 46987 C1* G B2238 -841.526 -32.916 52.715 1.00855.43 C ATOM 46988 N9 G B2238 -840.385 -33.812 52.878 1.00855.43 N ATOM 46989 C8 G B2238 -840.301 -34.929 53.675 1.00855.43 C ATOM 46990 N7 G B2238 -839.152 -35.545 53.574 1.00855.43 N ATOM 46991 C5 G B2238 -838.435 -34.784 52.663 1.00855.43 C ATOM 46992 C6 G B2238 -837.118 -34.956 52.147 1.00855.43 C ATOM 46993 O6 G B2238 -836.298 -35.847 52.397 1.00855.43 O ATOM 46994 N1 G B2238 -836.790 -33.945 51.247 1.00855.43 N ATOM 46995 C2 G B2238 -837.614 -32.910 50.885 1.00855.43 C ATOM 46996 N2 G B2238 -837.113 -32.031 50.004 1.00855.43 N ATOM 46997 N3 G B2238 -838.837 -32.742 51.353 1.00855.43 N ATOM 46998 C4 G B2238 -839.179 -33.708 52.228 1.00855.43 C ATOM 46999 P C B2239 -845.029 -35.370 50.674 1.00855.43 P ATOM 47000 O1P C B2239 -846.462 -35.308 50.291 1.00855.43 O ATOM 47001 O2P C B2239 -844.472 -36.629 51.230 1.00855.43 O ATOM 47002 O5* C B2239 -844.157 -34.952 49.408 1.00855.43 O ATOM 47003 C5* C B2239 -844.420 -33.736 48.712 1.00855.43 C ATOM 47004 C4* C B2239 -843.271 -33.385 47.788 1.00855.43 C ATOM 47005 O4* C B2239 -842.052 -33.213 48.555 1.00855.43 O ATOM 47006 C3* C B2239 -842.925 -34.465 46.787 1.00855.43 C ATOM 47007 O3* C B2239 -843.746 -34.355 45.634 1.00855.43 O ATOM 47008 C2* C B2239 -841.471 -34.181 46.456 1.00855.43 C ATOM 47009 O2* C B2239 -841.328 -33.180 45.468 1.00855.43 O ATOM 47010 C1* C B2239 -840.942 -33.684 47.800 1.00855.43 C ATOM 47011 N1 C B2239 -840.298 -34.780 48.540 1.00855.43 N ATOM 47012 C2 C B2239 -838.942 -35.020 48.325 1.00855.43 C ATOM 47013 O2 C B2239 -838.318 -34.273 47.554 1.00855.43 O ATOM 47014 N3 C B2239 -838.341 -36.049 48.965 1.00855.43 N ATOM 47015 C4 C B2239 -839.047 -36.823 49.792 1.00855.43 C ATOM 47016 N4 C B2239 -838.418 -37.840 50.385 1.00855.43 N ATOM 47017 C5 C B2239 -840.433 -36.590 50.040 1.00855.43 C ATOM 47018 C6 C B2239 -841.012 -35.564 49.404 1.00855.43 C ATOM 47019 P C B2240 -844.480 -35.668 45.092 1.00855.43 P ATOM 47020 O1P C B2240 -845.600 -35.287 44.195 1.00855.43 O ATOM 47021 O2P C B2240 -844.754 -36.416 46.332 1.00855.43 O ATOM 47022 O5* C B2240 -843.358 -36.417 44.240 1.00855.43 O ATOM 47023 C5* C B2240 -842.968 -35.895 42.977 1.00855.43 C ATOM 47024 C4* C B2240 -841.606 -36.408 42.559 1.00855.43 C ATOM 47025 O4* C B2240 -840.630 -36.204 43.616 1.00855.43 O ATOM 47026 C3* C B2240 -841.453 -37.893 42.314 1.00855.43 C ATOM 47027 O3* C B2240 -841.932 -38.212 41.016 1.00855.43 O ATOM 47028 C2* C B2240 -839.947 -38.130 42.405 1.00855.43 C ATOM 47029 O2* C B2240 -839.301 -37.914 41.167 1.00855.43 O ATOM 47030 C1* C B2240 -839.517 -37.056 43.398 1.00855.43 C ATOM 47031 N1 C B2240 -839.106 -37.679 44.670 1.00855.43 N ATOM 47032 C2 C B2240 -837.755 -38.003 44.837 1.00855.43 C ATOM 47033 O2 C B2240 -836.957 -37.722 43.932 1.00855.43 O ATOM 47034 N3 C B2240 -837.353 -38.616 45.972 1.00855.43 N ATOM 47035 C4 C B2240 -838.244 -38.895 46.925 1.00855.43 C ATOM 47036 N4 C B2240 -837.801 -39.511 48.025 1.00855.43 N ATOM 47037 C5 C B2240 -839.627 -38.564 46.791 1.00855.43 C ATOM 47038 C6 C B2240 -840.009 -37.957 45.656 1.00855.43 C ATOM 47039 P U B2241 -842.416 -39.715 40.697 1.00855.43 P ATOM 47040 O1P U B2241 -843.824 -39.667 40.232 1.00855.43 O ATOM 47041 O2P U B2241 -842.062 -40.557 41.870 1.00855.43 O ATOM 47042 O5* U B2241 -841.503 -40.179 39.475 1.00855.43 O ATOM 47043 C5* U B2241 -840.095 -40.330 39.639 1.00855.43 C ATOM 47044 C4* U B2241 -839.649 -41.705 39.212 1.00855.43 C ATOM 47045 O4* U B2241 -838.355 -41.963 39.812 1.00855.43 O ATOM 47046 C3* U B2241 -840.544 -42.807 39.723 1.00855.43 C ATOM 47047 O3* U B2241 -841.551 -43.029 38.739 1.00855.43 O ATOM 47048 C2* U B2241 -839.599 -43.989 39.887 1.00855.43 C ATOM 47049 O2* U B2241 -839.400 -44.704 38.685 1.00855.43 O ATOM 47050 C1* U B2241 -838.297 -43.292 40.289 1.00855.43 C ATOM 47051 N1 U B2241 -838.080 -43.226 41.740 1.00855.43 N ATOM 47052 C2 U B2241 -837.055 -43.982 42.285 1.00855.43 C ATOM 47053 O2 U B2241 -836.340 -44.704 41.617 1.00855.43 O ATOM 47054 N3 U B2241 -836.906 -43.853 43.644 1.00855.43 N ATOM 47055 C4 U B2241 -837.659 -43.066 44.495 1.00855.43 C ATOM 47056 O4 U B2241 -837.409 -43.066 45.701 1.00855.43 O ATOM 47057 C5 U B2241 -838.699 -42.322 43.853 1.00855.43 C ATOM 47058 C6 U B2241 -838.869 -42.426 42.534 1.00855.43 C ATOM 47059 P C B2242 -843.011 -43.527 39.187 1.00855.43 P ATOM 47060 O1P C B2242 -843.988 -42.494 38.755 1.00855.43 O ATOM 47061 O2P C B2242 -842.952 -43.931 40.613 1.00855.43 O ATOM 47062 O5* C B2242 -843.240 -44.831 38.304 1.00855.43 O ATOM 47063 C5* C B2242 -843.582 -46.064 38.916 1.00855.43 C ATOM 47064 C4* C B2242 -842.407 -47.012 38.879 1.00855.43 C ATOM 47065 O4* C B2242 -841.254 -46.403 39.512 1.00855.43 O ATOM 47066 C3* C B2242 -842.617 -48.315 39.623 1.00855.43 C ATOM 47067 O3* C B2242 -843.302 -49.254 38.806 1.00855.43 O ATOM 47068 C2* C B2242 -841.194 -48.740 39.973 1.00855.43 C ATOM 47069 O2* C B2242 -840.545 -49.408 38.911 1.00855.43 O ATOM 47070 C1* C B2242 -840.513 -47.388 40.214 1.00855.43 C ATOM 47071 N1 C B2242 -840.467 -46.985 41.630 1.00855.43 N ATOM 47072 C2 C B2242 -839.553 -47.606 42.499 1.00855.43 C ATOM 47073 O2 C B2242 -838.813 -48.502 42.068 1.00855.43 O ATOM 47074 N3 C B2242 -839.503 -47.212 43.793 1.00855.43 N ATOM 47075 C4 C B2242 -840.323 -46.251 44.227 1.00855.43 C ATOM 47076 N4 C B2242 -840.235 -45.887 45.504 1.00855.43 N ATOM 47077 C5 C B2242 -841.267 -45.618 43.371 1.00855.43 C ATOM 47078 C6 C B2242 -841.307 -46.011 42.093 1.00855.43 C ATOM 47079 P C B2243 -844.098 -50.466 39.490 1.00855.43 P ATOM 47080 O1P C B2243 -844.870 -51.158 38.426 1.00855.43 O ATOM 47081 O2P C B2243 -844.801 -49.947 40.690 1.00855.43 O ATOM 47082 O5* C B2243 -842.932 -51.430 39.973 1.00855.43 O ATOM 47083 C5* C B2243 -842.076 -52.055 39.025 1.00855.43 C ATOM 47084 C4* C B2243 -841.115 -52.983 39.720 1.00855.43 C ATOM 47085 O4* C B2243 -840.188 -52.228 40.538 1.00855.43 O ATOM 47086 C3* C B2243 -841.798 -53.974 40.664 1.00855.43 C ATOM 47087 O3* C B2243 -842.197 -55.138 39.951 1.00855.43 O ATOM 47088 C2* C B2243 -840.705 -54.257 41.690 1.00855.43 C ATOM 47089 O2* C B2243 -839.803 -55.257 41.267 1.00855.43 O ATOM 47090 C1* C B2243 -839.975 -52.914 41.762 1.00855.43 C ATOM 47091 N1 C B2243 -840.398 -52.045 42.875 1.00855.43 N ATOM 47092 C2 C B2243 -840.019 -52.393 44.178 1.00855.43 C ATOM 47093 O2 C B2243 -839.346 -53.417 44.354 1.00855.43 O ATOM 47094 N3 C B2243 -840.394 -51.605 45.210 1.00855.43 N ATOM 47095 C4 C B2243 -841.116 -50.508 44.982 1.00855.43 C ATOM 47096 N4 C B2243 -841.466 -49.762 46.036 1.00855.43 N ATOM 47097 C5 C B2243 -841.515 -50.126 43.668 1.00855.43 C ATOM 47098 C6 C B2243 -841.141 -50.920 42.653 1.00855.43 C ATOM 47099 P C B2244 -843.738 -55.330 39.540 1.00855.43 P ATOM 47100 O1P C B2244 -843.778 -56.287 38.405 1.00855.43 O ATOM 47101 O2P C B2244 -844.358 -53.989 39.394 1.00855.43 O ATOM 47102 O5* C B2244 -844.371 -56.043 40.815 1.00855.43 O ATOM 47103 C5* C B2244 -843.749 -57.190 41.382 1.00855.43 C ATOM 47104 C4* C B2244 -843.840 -57.156 42.887 1.00855.43 C ATOM 47105 O4* C B2244 -843.085 -56.034 43.416 1.00855.43 O ATOM 47106 C3* C B2244 -845.269 -56.968 43.395 1.00855.43 C ATOM 47107 O3* C B2244 -846.044 -58.152 43.522 1.00855.43 O ATOM 47108 C2* C B2244 -845.048 -56.301 44.752 1.00855.43 C ATOM 47109 O2* C B2244 -844.776 -57.236 45.775 1.00855.43 O ATOM 47110 C1* C B2244 -843.796 -55.457 44.497 1.00855.43 C ATOM 47111 N1 C B2244 -844.074 -54.042 44.199 1.00855.43 N ATOM 47112 C2 C B2244 -843.716 -53.082 45.148 1.00855.43 C ATOM 47113 O2 C B2244 -843.185 -53.453 46.206 1.00855.43 O ATOM 47114 N3 C B2244 -843.958 -51.776 44.894 1.00855.43 N ATOM 47115 C4 C B2244 -844.535 -51.417 43.744 1.00855.43 C ATOM 47116 N4 C B2244 -844.749 -50.114 43.536 1.00855.43 N ATOM 47117 C5 C B2244 -844.914 -52.375 42.759 1.00855.43 C ATOM 47118 C6 C B2244 -844.666 -53.667 43.025 1.00855.43 C ATOM 47119 P A B2245 -847.429 -58.278 42.720 1.00855.43 P ATOM 47120 O1P A B2245 -848.263 -59.257 43.452 1.00855.43 O ATOM 47121 O2P A B2245 -847.144 -58.498 41.288 1.00855.43 O ATOM 47122 O5* A B2245 -848.089 -56.836 42.860 1.00855.43 O ATOM 47123 C5* A B2245 -847.812 -55.827 41.901 1.00855.43 C ATOM 47124 C4* A B2245 -849.017 -54.938 41.716 1.00855.43 C ATOM 47125 O4* A B2245 -849.430 -54.425 43.009 1.00855.43 O ATOM 47126 C3* A B2245 -848.781 -53.716 40.865 1.00855.43 C ATOM 47127 O3* A B2245 -848.741 -53.915 39.451 1.00855.43 O ATOM 47128 C2* A B2245 -849.811 -52.719 41.390 1.00855.43 C ATOM 47129 O2* A B2245 -851.104 -52.925 40.848 1.00855.43 O ATOM 47130 C1* A B2245 -849.867 -53.087 42.876 1.00855.43 C ATOM 47131 N9 A B2245 -849.059 -52.261 43.775 1.00855.43 N ATOM 47132 C8 A B2245 -848.106 -52.707 44.662 1.00855.43 C ATOM 47133 N7 A B2245 -847.628 -51.772 45.449 1.00855.43 N ATOM 47134 C5 A B2245 -848.283 -50.624 45.025 1.00855.43 C ATOM 47135 C6 A B2245 -848.247 -49.306 45.488 1.00855.43 C ATOM 47136 N6 A B2245 -847.518 -48.927 46.545 1.00855.43 N ATOM 47137 N1 A B2245 -849.013 -48.391 44.850 1.00855.43 N ATOM 47138 C2 A B2245 -849.789 -48.806 43.836 1.00855.43 C ATOM 47139 N3 A B2245 -849.931 -50.027 43.325 1.00855.43 N ATOM 47140 C4 A B2245 -849.140 -50.903 43.971 1.00855.43 C ATOM 47141 P A B2246 -850.084 -54.241 38.626 1.00855.43 P ATOM 47142 O1P A B2246 -849.681 -55.124 37.502 1.00855.43 O ATOM 47143 O2P A B2246 -850.861 -53.010 38.338 1.00855.43 O ATOM 47144 O5* A B2246 -850.914 -55.124 39.660 1.00855.43 O ATOM 47145 C5* A B2246 -850.857 -56.546 39.618 1.00855.43 C ATOM 47146 C4* A B2246 -852.159 -57.141 40.098 1.00855.43 C ATOM 47147 O4* A B2246 -852.295 -57.024 41.540 1.00855.43 O ATOM 47148 C3* A B2246 -853.403 -56.404 39.611 1.00855.43 C ATOM 47149 O3* A B2246 -853.718 -56.784 38.282 1.00855.43 O ATOM 47150 C2* A B2246 -854.486 -56.794 40.611 1.00855.43 C ATOM 47151 O2* A B2246 -855.167 -57.977 40.237 1.00855.43 O ATOM 47152 C1* A B2246 -853.672 -57.050 41.882 1.00855.43 C ATOM 47153 N9 A B2246 -853.918 -56.123 42.992 1.00855.43 N ATOM 47154 C8 A B2246 -854.254 -56.466 44.280 1.00855.43 C ATOM 47155 N7 A B2246 -854.467 -55.435 45.065 1.00855.43 N ATOM 47156 C5 A B2246 -854.247 -54.337 44.245 1.00855.43 C ATOM 47157 C6 A B2246 -854.326 -52.938 44.478 1.00855.43 C ATOM 47158 N6 A B2246 -854.689 -52.387 45.640 1.00855.43 N ATOM 47159 N1 A B2246 -854.030 -52.112 43.453 1.00855.43 N ATOM 47160 C2 A B2246 -853.697 -52.660 42.273 1.00855.43 C ATOM 47161 N3 A B2246 -853.599 -53.944 41.925 1.00855.43 N ATOM 47162 C4 A B2246 -853.892 -54.743 42.970 1.00855.43 C ATOM 47163 P A B2247 -853.082 -55.958 37.063 1.00855.43 P ATOM 47164 O1P A B2247 -851.808 -56.624 36.701 1.00855.43 O ATOM 47165 O2P A B2247 -853.081 -54.513 37.416 1.00855.43 O ATOM 47166 O5* A B2247 -854.098 -56.184 35.859 1.00855.43 O ATOM 47167 C5* A B2247 -854.585 -55.077 35.121 1.00855.43 C ATOM 47168 C4* A B2247 -853.477 -54.464 34.303 1.00855.43 C ATOM 47169 O4* A B2247 -852.968 -55.447 33.369 1.00855.43 O ATOM 47170 C3* A B2247 -853.905 -53.287 33.442 1.00855.43 C ATOM 47171 O3* A B2247 -853.909 -52.063 34.162 1.00855.43 O ATOM 47172 C2* A B2247 -852.895 -53.318 32.306 1.00855.43 C ATOM 47173 O2* A B2247 -851.671 -52.698 32.646 1.00855.43 O ATOM 47174 C1* A B2247 -852.684 -54.823 32.129 1.00855.43 C ATOM 47175 N9 A B2247 -853.586 -55.396 31.128 1.00855.43 N ATOM 47176 C8 A B2247 -854.946 -55.541 31.214 1.00855.43 C ATOM 47177 N7 A B2247 -855.488 -56.078 30.149 1.00855.43 N ATOM 47178 C5 A B2247 -854.410 -56.301 29.307 1.00855.43 C ATOM 47179 C6 A B2247 -854.321 -56.836 28.014 1.00855.43 C ATOM 47180 N6 A B2247 -855.378 -57.263 27.321 1.00855.43 N ATOM 47181 N1 A B2247 -853.096 -56.917 27.453 1.00855.43 N ATOM 47182 C2 A B2247 -852.041 -56.484 28.150 1.00855.43 C ATOM 47183 N3 A B2247 -852.000 -55.955 29.369 1.00855.43 N ATOM 47184 C4 A B2247 -853.231 -55.891 29.900 1.00855.43 C ATOM 47185 P A B2248 -855.295 -51.285 34.383 1.00855.43 P ATOM 47186 O1P A B2248 -855.799 -51.636 35.737 1.00855.43 O ATOM 47187 O2P A B2248 -856.157 -51.518 33.196 1.00855.43 O ATOM 47188 O5* A B2248 -854.881 -49.751 34.394 1.00855.43 O ATOM 47189 C5* A B2248 -854.488 -49.100 33.192 1.00855.43 C ATOM 47190 C4* A B2248 -855.476 -48.020 32.846 1.00855.43 C ATOM 47191 O4* A B2248 -856.742 -48.620 32.467 1.00855.43 O ATOM 47192 C3* A B2248 -855.824 -47.100 33.984 1.00855.43 C ATOM 47193 O3* A B2248 -854.837 -46.083 34.087 1.00855.43 O ATOM 47194 C2* A B2248 -857.195 -46.575 33.591 1.00855.43 C ATOM 47195 O2* A B2248 -857.123 -45.502 32.673 1.00855.43 O ATOM 47196 C1* A B2248 -857.810 -47.797 32.908 1.00855.43 C ATOM 47197 N9 A B2248 -858.633 -48.575 33.836 1.00855.43 N ATOM 47198 C8 A B2248 -858.388 -49.835 34.325 1.00855.43 C ATOM 47199 N7 A B2248 -859.304 -50.259 35.166 1.00855.43 N ATOM 47200 C5 A B2248 -860.211 -49.213 35.228 1.00855.43 C ATOM 47201 C6 A B2248 -861.407 -49.039 35.946 1.00855.43 C ATOM 47202 N6 A B2248 -861.916 -49.955 36.776 1.00855.43 N ATOM 47203 N1 A B2248 -862.076 -47.876 35.781 1.00855.43 N ATOM 47204 C2 A B2248 -861.567 -46.957 34.952 1.00855.43 C ATOM 47205 N3 A B2248 -860.452 -47.005 34.223 1.00855.43 N ATOM 47206 C4 A B2248 -859.814 -48.170 34.409 1.00855.43 C ATOM 47207 P U B2249 -853.736 -46.168 35.254 1.00855.43 P ATOM 47208 O1P U B2249 -852.601 -45.290 34.867 1.00855.43 O ATOM 47209 O2P U B2249 -853.486 -47.600 35.560 1.00855.43 O ATOM 47210 O5* U B2249 -854.458 -45.514 36.514 1.00855.43 O ATOM 47211 C5* U B2249 -854.711 -44.121 36.541 1.00855.43 C ATOM 47212 C4* U B2249 -855.774 -43.787 37.560 1.00855.43 C ATOM 47213 O4* U B2249 -857.004 -44.468 37.241 1.00855.43 O ATOM 47214 C3* U B2249 -855.408 -44.207 38.975 1.00855.43 C ATOM 47215 O3* U B2249 -854.682 -43.189 39.639 1.00855.43 O ATOM 47216 C2* U B2249 -856.779 -44.453 39.603 1.00855.43 C ATOM 47217 O2* U B2249 -857.388 -43.258 40.055 1.00855.43 O ATOM 47218 C1* U B2249 -857.583 -44.990 38.419 1.00855.43 C ATOM 47219 N1 U B2249 -857.585 -46.453 38.312 1.00855.43 N ATOM 47220 C2 U B2249 -858.152 -47.175 39.343 1.00855.43 C ATOM 47221 O2 U B2249 -858.658 -46.646 40.323 1.00855.43 O ATOM 47222 N3 U B2249 -858.108 -48.536 39.189 1.00855.43 N ATOM 47223 C4 U B2249 -857.569 -49.231 38.123 1.00855.43 C ATOM 47224 O4 U B2249 -857.580 -50.462 38.135 1.00855.43 O ATOM 47225 C5 U B2249 -857.013 -48.411 37.094 1.00855.43 C ATOM 47226 C6 U B2249 -857.040 -47.083 37.221 1.00855.43 C ATOM 47227 P G B2250 -853.735 -43.587 40.862 1.00855.43 P ATOM 47228 O1P G B2250 -853.974 -42.620 41.959 1.00855.43 O ATOM 47229 O2P G B2250 -852.360 -43.771 40.327 1.00855.43 O ATOM 47230 O5* G B2250 -854.307 -45.006 41.291 1.00855.43 O ATOM 47231 C5* G B2250 -855.206 -45.117 42.388 1.00855.43 C ATOM 47232 C4* G B2250 -855.386 -46.565 42.760 1.00855.43 C ATOM 47233 O4* G B2250 -856.003 -47.298 41.670 1.00855.43 O ATOM 47234 C3* G B2250 -854.063 -47.266 43.000 1.00855.43 C ATOM 47235 O3* G B2250 -853.595 -47.025 44.320 1.00855.43 O ATOM 47236 C2* G B2250 -854.393 -48.723 42.695 1.00855.43 C ATOM 47237 O2* G B2250 -855.007 -49.383 43.786 1.00855.43 O ATOM 47238 C1* G B2250 -855.401 -48.575 41.551 1.00855.43 C ATOM 47239 N9 G B2250 -854.783 -48.662 40.232 1.00855.43 N ATOM 47240 C8 G B2250 -854.336 -47.609 39.468 1.00855.43 C ATOM 47241 N7 G B2250 -853.824 -47.986 38.329 1.00855.43 N ATOM 47242 C5 G B2250 -853.941 -49.369 38.336 1.00855.43 C ATOM 47243 C6 G B2250 -853.559 -50.327 37.363 1.00855.43 C ATOM 47244 O6 G B2250 -853.024 -50.141 36.265 1.00855.43 O ATOM 47245 N1 G B2250 -853.860 -51.621 37.777 1.00855.43 N ATOM 47246 C2 G B2250 -854.452 -51.953 38.969 1.00855.43 C ATOM 47247 N2 G B2250 -854.660 -53.260 39.181 1.00855.43 N ATOM 47248 N3 G B2250 -854.814 -51.067 39.886 1.00855.43 N ATOM 47249 C4 G B2250 -854.531 -49.803 39.506 1.00855.43 C ATOM 47250 P U B2251 -852.484 -45.896 44.564 1.00855.43 P ATOM 47251 O1P U B2251 -853.126 -44.565 44.446 1.00855.43 O ATOM 47252 O2P U B2251 -851.287 -46.218 43.747 1.00855.43 O ATOM 47253 O5* U B2251 -852.136 -46.086 46.099 1.00855.43 O ATOM 47254 C5* U B2251 -852.898 -45.396 47.075 1.00855.43 C ATOM 47255 C4* U B2251 -853.094 -46.261 48.283 1.00855.43 C ATOM 47256 O4* U B2251 -853.725 -47.514 47.903 1.00855.43 O ATOM 47257 C3* U B2251 -851.837 -46.675 49.007 1.00855.43 C ATOM 47258 O3* U B2251 -851.399 -45.624 49.860 1.00855.43 O ATOM 47259 C2* U B2251 -852.282 -47.928 49.746 1.00855.43 C ATOM 47260 O2* U B2251 -852.969 -47.631 50.946 1.00855.43 O ATOM 47261 C1* U B2251 -853.245 -48.560 48.732 1.00855.43 C ATOM 47262 N1 U B2251 -852.557 -49.560 47.897 1.00855.43 N ATOM 47263 C2 U B2251 -853.002 -49.791 46.602 1.00855.43 C ATOM 47264 O2 U B2251 -853.898 -49.184 46.076 1.00855.43 O ATOM 47265 N3 U B2251 -852.353 -50.791 45.938 1.00855.43 N ATOM 47266 C4 U B2251 -851.343 -51.580 46.412 1.00855.43 C ATOM 47267 O4 U B2251 -851.035 -52.580 45.777 1.00855.43 O ATOM 47268 C5 U B2251 -850.907 -51.261 47.736 1.00855.43 C ATOM 47269 C6 U B2251 -851.508 -50.286 48.412 1.00855.43 C ATOM 47270 P A B2252 -849.836 -45.519 50.229 1.00855.43 P ATOM 47271 O1P A B2252 -849.604 -44.226 50.919 1.00855.43 O ATOM 47272 O2P A B2252 -849.050 -45.856 49.015 1.00855.43 O ATOM 47273 O5* A B2252 -849.624 -46.688 51.282 1.00855.43 O ATOM 47274 C5* A B2252 -850.369 -46.722 52.492 1.00855.43 C ATOM 47275 C4* A B2252 -850.232 -48.074 53.134 1.00855.43 C ATOM 47276 O4* A B2252 -850.514 -49.111 52.160 1.00855.43 O ATOM 47277 C3* A B2252 -848.867 -48.430 53.682 1.00855.43 C ATOM 47278 O3* A B2252 -848.717 -47.853 54.972 1.00855.43 O ATOM 47279 C2* A B2252 -848.887 -49.952 53.686 1.00855.43 C ATOM 47280 O2* A B2252 -849.524 -50.474 54.835 1.00855.43 O ATOM 47281 C1* A B2252 -849.737 -50.259 52.449 1.00855.43 C ATOM 47282 N9 A B2252 -848.997 -50.628 51.236 1.00855.43 N ATOM 47283 C8 A B2252 -848.504 -49.823 50.228 1.00855.43 C ATOM 47284 N7 A B2252 -847.914 -50.486 49.252 1.00855.43 N ATOM 47285 C5 A B2252 -848.010 -51.814 49.658 1.00855.43 C ATOM 47286 C6 A B2252 -847.580 -53.012 49.070 1.00855.43 C ATOM 47287 N6 A B2252 -846.930 -53.069 47.900 1.00855.43 N ATOM 47288 N1 A B2252 -847.841 -54.167 49.728 1.00855.43 N ATOM 47289 C2 A B2252 -848.491 -54.106 50.895 1.00855.43 C ATOM 47290 N3 A B2252 -848.950 -53.043 51.551 1.00855.43 N ATOM 47291 C4 A B2252 -848.673 -51.915 50.875 1.00855.43 C ATOM 47292 P A B2253 -847.428 -46.950 55.291 1.00855.43 P ATOM 47293 O1P A B2253 -847.830 -45.912 56.273 1.00855.43 O ATOM 47294 O2P A B2253 -846.805 -46.548 54.006 1.00855.43 O ATOM 47295 O5* A B2253 -846.449 -47.969 56.022 1.00855.43 O ATOM 47296 C5* A B2253 -846.968 -48.976 56.881 1.00855.43 C ATOM 47297 C4* A B2253 -846.298 -50.295 56.597 1.00855.43 C ATOM 47298 O4* A B2253 -846.437 -50.636 55.195 1.00855.43 O ATOM 47299 C3* A B2253 -844.813 -50.322 56.895 1.00855.43 C ATOM 47300 O3* A B2253 -844.598 -50.671 58.255 1.00855.43 O ATOM 47301 C2* A B2253 -844.291 -51.371 55.918 1.00855.43 C ATOM 47302 O2* A B2253 -844.475 -52.683 56.412 1.00855.43 O ATOM 47303 C1* A B2253 -845.221 -51.175 54.717 1.00855.43 C ATOM 47304 N9 A B2253 -844.690 -50.272 53.697 1.00855.43 N ATOM 47305 C8 A B2253 -844.199 -49.001 53.870 1.00855.43 C ATOM 47306 N7 A B2253 -843.812 -48.427 52.758 1.00855.43 N ATOM 47307 C5 A B2253 -844.063 -49.385 51.785 1.00855.43 C ATOM 47308 C6 A B2253 -843.876 -49.388 50.390 1.00855.43 C ATOM 47309 N6 A B2253 -843.373 -48.356 49.709 1.00855.43 N ATOM 47310 N1 A B2253 -844.225 -50.504 49.715 1.00855.43 N ATOM 47311 C2 A B2253 -844.729 -51.535 50.400 1.00855.43 C ATOM 47312 N3 A B2253 -844.958 -51.652 51.707 1.00855.43 N ATOM 47313 C4 A B2253 -844.598 -50.527 52.349 1.00855.43 C ATOM 47314 P C B2254 -843.853 -49.632 59.232 1.00855.43 P ATOM 47315 O1P C B2254 -844.650 -49.554 60.482 1.00855.43 O ATOM 47316 O2P C B2254 -843.560 -48.390 58.468 1.00855.43 O ATOM 47317 O5* C B2254 -842.472 -50.338 59.575 1.00855.43 O ATOM 47318 C5* C B2254 -841.364 -50.261 58.686 1.00855.43 C ATOM 47319 C4* C B2254 -840.163 -50.919 59.310 1.00855.43 C ATOM 47320 O4* C B2254 -839.678 -50.069 60.374 1.00855.43 O ATOM 47321 C3* C B2254 -840.398 -52.263 60.001 1.00855.43 C ATOM 47322 O3* C B2254 -840.261 -53.304 59.031 1.00855.43 O ATOM 47323 C2* C B2254 -839.339 -52.326 61.107 1.00855.43 C ATOM 47324 O2* C B2254 -838.148 -52.963 60.733 1.00855.43 O ATOM 47325 C1* C B2254 -838.994 -50.853 61.326 1.00855.43 C ATOM 47326 N1 C B2254 -839.234 -50.297 62.663 1.00855.43 N ATOM 47327 C2 C B2254 -838.135 -49.825 63.391 1.00855.43 C ATOM 47328 O2 C B2254 -837.003 -49.937 62.898 1.00855.43 O ATOM 47329 N3 C B2254 -838.338 -49.261 64.602 1.00855.43 N ATOM 47330 C4 C B2254 -839.575 -49.171 65.095 1.00855.43 C ATOM 47331 N4 C B2254 -839.731 -48.590 66.287 1.00855.43 N ATOM 47332 C5 C B2254 -840.707 -49.667 64.386 1.00855.43 C ATOM 47333 C6 C B2254 -840.491 -50.219 63.183 1.00855.43 C ATOM 47334 P G B2255 -841.558 -53.944 58.325 1.00855.43 P ATOM 47335 O1P G B2255 -842.590 -52.889 58.210 1.00855.43 O ATOM 47336 O2P G B2255 -841.890 -55.210 59.027 1.00855.43 O ATOM 47337 O5* G B2255 -841.041 -54.296 56.852 1.00855.43 O ATOM 47338 C5* G B2255 -840.260 -53.354 56.097 1.00855.43 C ATOM 47339 C4* G B2255 -839.503 -54.056 54.977 1.00855.43 C ATOM 47340 O4* G B2255 -840.465 -54.439 53.964 1.00855.43 O ATOM 47341 C3* G B2255 -838.492 -53.227 54.192 1.00855.43 C ATOM 47342 O3* G B2255 -837.208 -53.129 54.803 1.00855.43 O ATOM 47343 C2* G B2255 -838.405 -53.978 52.879 1.00855.43 C ATOM 47344 O2* G B2255 -837.560 -55.108 52.946 1.00855.43 O ATOM 47345 C1* G B2255 -839.857 -54.399 52.686 1.00855.43 C ATOM 47346 N9 G B2255 -840.529 -53.365 51.910 1.00855.43 N ATOM 47347 C8 G B2255 -841.495 -52.485 52.337 1.00855.43 C ATOM 47348 N7 G B2255 -841.853 -51.637 51.414 1.00855.43 N ATOM 47349 C5 G B2255 -841.087 -51.988 50.310 1.00855.43 C ATOM 47350 C6 G B2255 -841.028 -51.423 49.006 1.00855.43 C ATOM 47351 O6 G B2255 -841.661 -50.462 48.551 1.00855.43 O ATOM 47352 N1 G B2255 -840.110 -52.094 48.202 1.00855.43 N ATOM 47353 C2 G B2255 -839.349 -53.164 48.598 1.00855.43 C ATOM 47354 N2 G B2255 -838.525 -53.678 47.678 1.00855.43 N ATOM 47355 N3 G B2255 -839.392 -53.693 49.804 1.00855.43 N ATOM 47356 C4 G B2255 -840.276 -53.059 50.601 1.00855.43 C ATOM 47357 P G B2256 -836.265 -51.855 54.490 1.00855.43 P ATOM 47358 O1P G B2256 -834.987 -52.057 55.218 1.00855.43 O ATOM 47359 O2P G B2256 -837.052 -50.618 54.722 1.00855.43 O ATOM 47360 O5* G B2256 -835.962 -51.975 52.931 1.00855.43 O ATOM 47361 C5* G B2256 -835.226 -53.078 52.425 1.00855.43 C ATOM 47362 C4* G B2256 -834.957 -52.901 50.948 1.00855.43 C ATOM 47363 O4* G B2256 -836.202 -52.796 50.214 1.00855.43 O ATOM 47364 C3* G B2256 -834.159 -51.671 50.525 1.00855.43 C ATOM 47365 O3* G B2256 -832.757 -51.848 50.682 1.00855.43 O ATOM 47366 C2* G B2256 -834.542 -51.532 49.055 1.00855.43 C ATOM 47367 O2* G B2256 -833.775 -52.393 48.247 1.00855.43 O ATOM 47368 C1* G B2256 -835.994 -52.016 49.048 1.00855.43 C ATOM 47369 N9 G B2256 -836.980 -50.940 49.012 1.00855.43 N ATOM 47370 C8 G B2256 -837.594 -50.341 50.086 1.00855.43 C ATOM 47371 N7 G B2256 -838.445 -49.413 49.739 1.00855.43 N ATOM 47372 C5 G B2256 -838.386 -49.395 48.350 1.00855.43 C ATOM 47373 C6 G B2256 -839.089 -48.596 47.412 1.00855.43 C ATOM 47374 O6 G B2256 -839.931 -47.723 47.625 1.00855.43 O ATOM 47375 N1 G B2256 -838.724 -48.901 46.105 1.00855.43 N ATOM 47376 C2 G B2256 -837.808 -49.854 45.740 1.00855.43 C ATOM 47377 N2 G B2256 -837.605 -49.991 44.418 1.00855.43 N ATOM 47378 N3 G B2256 -837.146 -50.611 46.605 1.00855.43 N ATOM 47379 C4 G B2256 -837.484 -50.328 47.885 1.00855.43 C ATOM 47380 P A B2257 -831.827 -50.588 51.046 1.00855.43 P ATOM 47381 O1P A B2257 -831.113 -50.915 52.308 1.00855.43 O ATOM 47382 O2P A B2257 -832.661 -49.360 50.971 1.00855.43 O ATOM 47383 O5* A B2257 -830.756 -50.539 49.870 1.00855.43 O ATOM 47384 C5* A B2257 -830.522 -49.337 49.140 1.00855.43 C ATOM 47385 C4* A B2257 -830.936 -49.512 47.697 1.00855.43 C ATOM 47386 O4* A B2257 -832.328 -49.928 47.652 1.00855.43 O ATOM 47387 C3* A B2257 -830.909 -48.264 46.859 1.00855.43 C ATOM 47388 O3* A B2257 -829.590 -48.060 46.376 1.00855.43 O ATOM 47389 C2* A B2257 -831.900 -48.575 45.748 1.00855.43 C ATOM 47390 O2* A B2257 -831.334 -49.351 44.709 1.00855.43 O ATOM 47391 C1* A B2257 -832.956 -49.381 46.503 1.00855.43 C ATOM 47392 N9 A B2257 -834.019 -48.494 46.963 1.00855.43 N ATOM 47393 C8 A B2257 -834.285 -48.101 48.250 1.00855.43 C ATOM 47394 N7 A B2257 -835.276 -47.247 48.347 1.00855.43 N ATOM 47395 C5 A B2257 -835.696 -47.074 47.034 1.00855.43 C ATOM 47396 C6 A B2257 -836.707 -46.284 46.462 1.00855.43 C ATOM 47397 N6 A B2257 -837.506 -45.481 47.164 1.00855.43 N ATOM 47398 N1 A B2257 -836.869 -46.350 45.122 1.00855.43 N ATOM 47399 C2 A B2257 -836.061 -47.151 44.417 1.00855.43 C ATOM 47400 N3 A B2257 -835.072 -47.933 44.840 1.00855.43 N ATOM 47401 C4 A B2257 -834.940 -47.849 46.174 1.00855.43 C ATOM 47402 P G B2258 -828.768 -46.761 46.852 1.00855.43 P ATOM 47403 O1P G B2258 -827.336 -47.009 46.563 1.00855.43 O ATOM 47404 O2P G B2258 -829.189 -46.434 48.239 1.00855.43 O ATOM 47405 O5* G B2258 -829.281 -45.598 45.890 1.00855.43 O ATOM 47406 C5* G B2258 -828.631 -45.353 44.644 1.00855.43 C ATOM 47407 C4* G B2258 -829.015 -43.996 44.087 1.00855.43 C ATOM 47408 O4* G B2258 -830.431 -43.952 43.765 1.00855.43 O ATOM 47409 C3* G B2258 -828.799 -42.812 45.008 1.00855.43 C ATOM 47410 O3* G B2258 -827.452 -42.357 44.960 1.00855.43 O ATOM 47411 C2* G B2258 -829.752 -41.764 44.440 1.00855.43 C ATOM 47412 O2* G B2258 -829.191 -41.036 43.370 1.00855.43 O ATOM 47413 C1* G B2258 -830.905 -42.623 43.918 1.00855.43 C ATOM 47414 N9 G B2258 -832.044 -42.625 44.829 1.00855.43 N ATOM 47415 C8 G B2258 -832.395 -43.602 45.722 1.00855.43 C ATOM 47416 N7 G B2258 -833.458 -43.302 46.413 1.00855.43 N ATOM 47417 C5 G B2258 -833.836 -42.051 45.947 1.00855.43 C ATOM 47418 C6 G B2258 -834.921 -41.207 46.328 1.00855.43 C ATOM 47419 O6 G B2258 -835.796 -41.406 47.185 1.00855.43 O ATOM 47420 N1 G B2258 -834.930 -40.031 45.593 1.00855.43 N ATOM 47421 C2 G B2258 -834.018 -39.696 44.625 1.00855.43 C ATOM 47422 N2 G B2258 -834.194 -38.512 44.027 1.00855.43 N ATOM 47423 N3 G B2258 -833.004 -40.468 44.267 1.00855.43 N ATOM 47424 C4 G B2258 -832.974 -41.620 44.965 1.00855.43 C ATOM 47425 P G B2259 -826.957 -41.222 45.986 1.00855.43 P ATOM 47426 O1P G B2259 -825.505 -41.015 45.755 1.00855.43 O ATOM 47427 O2P G B2259 -827.441 -41.578 47.342 1.00855.43 O ATOM 47428 O5* G B2259 -827.728 -39.910 45.501 1.00855.43 O ATOM 47429 C5* G B2259 -827.986 -38.829 46.399 1.00855.43 C ATOM 47430 C4* G B2259 -828.964 -37.863 45.773 1.00855.43 C ATOM 47431 O4* G B2259 -830.240 -38.523 45.594 1.00855.43 O ATOM 47432 C3* G B2259 -829.298 -36.604 46.567 1.00855.43 C ATOM 47433 O3* G B2259 -828.332 -35.580 46.359 1.00855.43 O ATOM 47434 C2* G B2259 -830.666 -36.217 46.014 1.00855.43 C ATOM 47435 O2* G B2259 -830.573 -35.486 44.808 1.00855.43 O ATOM 47436 C1* G B2259 -831.289 -37.587 45.733 1.00855.43 C ATOM 47437 N9 G B2259 -832.166 -38.047 46.806 1.00855.43 N ATOM 47438 C8 G B2259 -831.895 -39.034 47.724 1.00855.43 C ATOM 47439 N7 G B2259 -832.875 -39.231 48.564 1.00855.43 N ATOM 47440 C5 G B2259 -833.845 -38.319 48.180 1.00855.43 C ATOM 47441 C6 G B2259 -835.136 -38.064 48.719 1.00855.43 C ATOM 47442 O6 G B2259 -835.690 -38.615 49.677 1.00855.43 O ATOM 47443 N1 G B2259 -835.787 -37.053 48.024 1.00855.43 N ATOM 47444 C2 G B2259 -835.270 -36.373 46.947 1.00855.43 C ATOM 47445 N2 G B2259 -836.056 -35.430 46.408 1.00855.43 N ATOM 47446 N3 G B2259 -834.075 -36.599 46.435 1.00855.43 N ATOM 47447 C4 G B2259 -833.422 -37.578 47.095 1.00855.43 C ATOM 47448 P C B2260 -828.144 -34.418 47.458 1.00855.43 P ATOM 47449 O1P C B2260 -826.811 -33.808 47.229 1.00855.43 O ATOM 47450 O2P C B2260 -828.473 -34.984 48.792 1.00855.43 O ATOM 47451 O5* C B2260 -829.256 -33.335 47.091 1.00855.43 O ATOM 47452 C5* C B2260 -829.427 -32.883 45.750 1.00855.43 C ATOM 47453 C4* C B2260 -830.807 -32.292 45.571 1.00855.43 C ATOM 47454 O4* C B2260 -831.794 -33.310 45.875 1.00855.43 O ATOM 47455 C3* C B2260 -831.128 -31.148 46.508 1.00855.43 C ATOM 47456 O3* C B2260 -830.712 -29.921 45.915 1.00855.43 O ATOM 47457 C2* C B2260 -832.645 -31.221 46.644 1.00855.43 C ATOM 47458 O2* C B2260 -833.317 -30.553 45.593 1.00855.43 O ATOM 47459 C1* C B2260 -832.901 -32.725 46.539 1.00855.43 C ATOM 47460 N1 C B2260 -833.050 -33.387 47.846 1.00855.43 N ATOM 47461 C2 C B2260 -834.319 -33.464 48.424 1.00855.43 C ATOM 47462 O2 C B2260 -835.281 -32.963 47.822 1.00855.43 O ATOM 47463 N3 C B2260 -834.467 -34.077 49.618 1.00855.43 N ATOM 47464 C4 C B2260 -833.407 -34.604 50.232 1.00855.43 C ATOM 47465 N4 C B2260 -833.604 -35.207 51.410 1.00855.43 N ATOM 47466 C5 C B2260 -832.098 -34.536 49.671 1.00855.43 C ATOM 47467 C6 C B2260 -831.967 -33.924 48.486 1.00855.43 C ATOM 47468 P G B2261 -830.770 -28.191 45.752 1.00848.95 P ATOM 47469 O1P G B2261 -830.253 -27.127 44.857 1.00848.95 O ATOM 47470 O2P G B2261 -829.921 -28.686 46.866 1.00848.95 O ATOM 47471 O5* G B2261 -832.154 -27.699 46.362 1.00848.95 O ATOM 47472 C5* G B2261 -833.164 -27.123 45.535 1.00848.95 C ATOM 47473 C4* G B2261 -834.258 -26.524 46.387 1.00848.95 C ATOM 47474 O4* G B2261 -835.049 -27.600 46.952 1.00848.95 O ATOM 47475 C3* G B2261 -833.775 -25.714 47.579 1.00848.95 C ATOM 47476 O3* G B2261 -833.516 -24.315 47.405 1.00848.95 O ATOM 47477 C2* G B2261 -834.939 -25.832 48.558 1.00848.95 C ATOM 47478 O2* G B2261 -835.906 -24.833 48.331 1.00848.95 O ATOM 47479 C1* G B2261 -835.533 -27.201 48.213 1.00848.95 C ATOM 47480 N9 G B2261 -835.294 -28.259 49.190 1.00848.95 N ATOM 47481 C8 G B2261 -834.402 -29.301 49.113 1.00848.95 C ATOM 47482 N7 G B2261 -834.447 -30.093 50.153 1.00848.95 N ATOM 47483 C5 G B2261 -835.427 -29.536 50.964 1.00848.95 C ATOM 47484 C6 G B2261 -835.934 -29.955 52.230 1.00848.95 C ATOM 47485 O6 G B2261 -835.618 -30.939 52.908 1.00848.95 O ATOM 47486 N1 G B2261 -836.921 -29.089 52.693 1.00848.95 N ATOM 47487 C2 G B2261 -837.370 -27.973 52.033 1.00848.95 C ATOM 47488 N2 G B2261 -838.322 -27.261 52.647 1.00848.95 N ATOM 47489 N3 G B2261 -836.914 -27.580 50.857 1.00848.95 N ATOM 47490 C4 G B2261 -835.951 -28.400 50.386 1.00848.95 C ATOM 47491 P C B2262 -833.716 -23.608 45.968 1.00848.95 P ATOM 47492 O1P C B2262 -833.237 -22.209 46.117 1.00848.95 O ATOM 47493 O2P C B2262 -835.096 -23.860 45.487 1.00848.95 O ATOM 47494 O5* C B2262 -832.700 -24.366 45.007 1.00848.95 O ATOM 47495 C5* C B2262 -832.098 -23.694 43.908 1.00848.95 C ATOM 47496 C4* C B2262 -831.010 -24.549 43.315 1.00848.95 C ATOM 47497 O4* C B2262 -831.586 -25.802 42.854 1.00848.95 O ATOM 47498 C3* C B2262 -830.243 -24.018 42.102 1.00848.95 C ATOM 47499 O3* C B2262 -829.199 -23.109 42.411 1.00848.95 O ATOM 47500 C2* C B2262 -829.702 -25.302 41.485 1.00848.95 C ATOM 47501 O2* C B2262 -828.533 -25.761 42.131 1.00848.95 O ATOM 47502 C1* C B2262 -830.848 -26.277 41.738 1.00848.95 C ATOM 47503 N1 C B2262 -831.747 -26.378 40.579 1.00848.95 N ATOM 47504 C2 C B2262 -831.348 -27.169 39.501 1.00848.95 C ATOM 47505 O2 C B2262 -830.272 -27.783 39.572 1.00848.95 O ATOM 47506 N3 C B2262 -832.141 -27.251 38.406 1.00848.95 N ATOM 47507 C4 C B2262 -833.295 -26.581 38.374 1.00848.95 C ATOM 47508 N4 C B2262 -834.040 -26.682 37.271 1.00848.95 N ATOM 47509 C5 C B2262 -833.733 -25.774 39.467 1.00848.95 C ATOM 47510 C6 C B2262 -832.937 -25.704 40.541 1.00848.95 C ATOM 47511 P C B2263 -828.733 -22.040 41.306 1.00848.95 P ATOM 47512 O1P C B2263 -827.384 -21.563 41.685 1.00848.95 O ATOM 47513 O2P C B2263 -829.837 -21.061 41.137 1.00848.95 O ATOM 47514 O5* C B2263 -828.618 -22.890 39.962 1.00848.95 O ATOM 47515 C5* C B2263 -827.444 -23.644 39.668 1.00848.95 C ATOM 47516 C4* C B2263 -827.419 -24.012 38.202 1.00848.95 C ATOM 47517 O4* C B2263 -828.633 -24.737 37.877 1.00848.95 O ATOM 47518 C3* C B2263 -827.393 -22.861 37.196 1.00848.95 C ATOM 47519 O3* C B2263 -826.099 -22.324 36.951 1.00848.95 O ATOM 47520 C2* C B2263 -827.984 -23.503 35.943 1.00848.95 C ATOM 47521 O2* C B2263 -827.027 -24.237 35.205 1.00848.95 O ATOM 47522 C1* C B2263 -829.009 -24.471 36.540 1.00848.95 C ATOM 47523 N1 C B2263 -830.378 -23.934 36.549 1.00848.95 N ATOM 47524 C2 C B2263 -831.067 -23.831 35.339 1.00848.95 C ATOM 47525 O2 C B2263 -830.498 -24.188 34.292 1.00848.95 O ATOM 47526 N3 C B2263 -832.333 -23.346 35.335 1.00848.95 N ATOM 47527 C4 C B2263 -832.903 -22.967 36.483 1.00848.95 C ATOM 47528 N4 C B2263 -834.153 -22.497 36.439 1.00848.95 N ATOM 47529 C5 C B2263 -832.219 -23.058 37.731 1.00848.95 C ATOM 47530 C6 C B2263 -830.972 -23.542 37.716 1.00848.95 C ATOM 47531 P C B2264 -825.832 -20.755 37.178 1.00848.95 P ATOM 47532 O1P C B2264 -824.463 -20.618 37.739 1.00848.95 O ATOM 47533 O2P C B2264 -826.987 -20.184 37.913 1.00848.95 O ATOM 47534 O5* C B2264 -825.838 -20.142 35.710 1.00848.95 O ATOM 47535 C5* C B2264 -825.271 -20.854 34.618 1.00848.95 C ATOM 47536 C4* C B2264 -826.254 -20.925 33.475 1.00848.95 C ATOM 47537 O4* C B2264 -827.444 -21.633 33.906 1.00848.95 O ATOM 47538 C3* C B2264 -826.761 -19.571 32.963 1.00848.95 C ATOM 47539 O3* C B2264 -825.907 -18.972 31.991 1.00848.95 O ATOM 47540 C2* C B2264 -828.117 -19.935 32.366 1.00848.95 C ATOM 47541 O2* C B2264 -828.015 -20.432 31.050 1.00848.95 O ATOM 47542 C1* C B2264 -828.585 -21.062 33.296 1.00848.95 C ATOM 47543 N1 C B2264 -829.522 -20.634 34.346 1.00848.95 N ATOM 47544 C2 C B2264 -830.884 -20.553 34.030 1.00848.95 C ATOM 47545 O2 C B2264 -831.247 -20.842 32.883 1.00848.95 O ATOM 47546 N3 C B2264 -831.760 -20.166 34.984 1.00848.95 N ATOM 47547 C4 C B2264 -831.327 -19.866 36.207 1.00848.95 C ATOM 47548 N4 C B2264 -832.232 -19.489 37.118 1.00848.95 N ATOM 47549 C5 C B2264 -829.946 -19.937 36.557 1.00848.95 C ATOM 47550 C6 C B2264 -829.085 -20.323 35.602 1.00848.95 C ATOM 47551 P A B2265 -825.339 -17.485 32.226 1.00848.95 P ATOM 47552 O1P A B2265 -824.416 -17.188 31.104 1.00848.95 O ATOM 47553 O2P A B2265 -824.847 -17.391 33.624 1.00848.95 O ATOM 47554 O5* A B2265 -826.613 -16.542 32.078 1.00848.95 O ATOM 47555 C5* A B2265 -827.675 -16.876 31.192 1.00848.95 C ATOM 47556 C4* A B2265 -827.865 -15.789 30.160 1.00848.95 C ATOM 47557 O4* A B2265 -828.390 -14.605 30.805 1.00848.95 O ATOM 47558 C3* A B2265 -826.632 -15.302 29.414 1.00848.95 C ATOM 47559 O3* A B2265 -826.366 -16.135 28.295 1.00848.95 O ATOM 47560 C2* A B2265 -827.036 -13.898 28.974 1.00848.95 C ATOM 47561 O2* A B2265 -827.771 -13.895 27.767 1.00848.95 O ATOM 47562 C1* A B2265 -827.937 -13.454 30.123 1.00848.95 C ATOM 47563 N9 A B2265 -827.248 -12.598 31.083 1.00848.95 N ATOM 47564 C8 A B2265 -827.108 -12.761 32.438 1.00848.95 C ATOM 47565 N7 A B2265 -826.422 -11.803 33.013 1.00848.95 N ATOM 47566 C5 A B2265 -826.091 -10.960 31.967 1.00848.95 C ATOM 47567 C6 A B2265 -825.370 -9.763 31.912 1.00848.95 C ATOM 47568 N6 A B2265 -824.830 -9.169 32.980 1.00848.95 N ATOM 47569 N1 A B2265 -825.215 -9.187 30.703 1.00848.95 N ATOM 47570 C2 A B2265 -825.758 -9.773 29.631 1.00848.95 C ATOM 47571 N3 A B2265 -826.463 -10.888 29.559 1.00848.95 N ATOM 47572 C4 A B2265 -826.592 -11.438 30.774 1.00848.95 C ATOM 47573 P A B2266 -824.876 -16.235 27.703 1.00848.95 P ATOM 47574 O1P A B2266 -823.931 -15.898 28.800 1.00848.95 O ATOM 47575 O2P A B2266 -824.829 -15.466 26.433 1.00848.95 O ATOM 47576 O5* A B2266 -824.720 -17.783 27.368 1.00848.95 O ATOM 47577 C5* A B2266 -824.606 -18.741 28.415 1.00848.95 C ATOM 47578 C4* A B2266 -825.885 -19.542 28.540 1.00848.95 C ATOM 47579 O4* A B2266 -826.972 -18.674 28.927 1.00848.95 O ATOM 47580 C3* A B2266 -826.352 -20.234 27.263 1.00848.95 C ATOM 47581 O3* A B2266 -825.737 -21.508 27.103 1.00848.95 O ATOM 47582 C2* A B2266 -827.860 -20.360 27.480 1.00848.95 C ATOM 47583 O2* A B2266 -828.218 -21.519 28.202 1.00848.95 O ATOM 47584 C1* A B2266 -828.174 -19.124 28.334 1.00848.95 C ATOM 47585 N9 A B2266 -828.795 -18.003 27.634 1.00848.95 N ATOM 47586 C8 A B2266 -828.368 -17.389 26.486 1.00848.95 C ATOM 47587 N7 A B2266 -829.127 -16.395 26.102 1.00848.95 N ATOM 47588 C5 A B2266 -830.129 -16.352 27.059 1.00848.95 C ATOM 47589 C6 A B2266 -831.242 -15.520 27.213 1.00848.95 C ATOM 47590 N6 A B2266 -831.569 -14.576 26.343 1.00848.95 N ATOM 47591 N1 A B2266 -832.027 -15.704 28.284 1.00848.95 N ATOM 47592 C2 A B2266 -831.725 -16.704 29.133 1.00848.95 C ATOM 47593 N3 A B2266 -830.716 -17.574 29.083 1.00848.95 N ATOM 47594 C4 A B2266 -829.937 -17.335 28.012 1.00848.95 C ATOM 47595 P A B2267 -825.834 -22.283 25.701 1.00848.95 P ATOM 47596 O1P A B2267 -824.665 -23.198 25.638 1.00848.95 O ATOM 47597 O2P A B2267 -826.050 -21.294 24.616 1.00848.95 O ATOM 47598 O5* A B2267 -827.147 -23.176 25.845 1.00848.95 O ATOM 47599 C5* A B2267 -827.604 -23.978 24.761 1.00848.95 C ATOM 47600 C4* A B2267 -828.250 -25.243 25.280 1.00848.95 C ATOM 47601 O4* A B2267 -827.386 -25.848 26.276 1.00848.95 O ATOM 47602 C3* A B2267 -829.599 -25.127 25.970 1.00848.95 C ATOM 47603 O3* A B2267 -830.628 -25.105 24.987 1.00848.95 O ATOM 47604 C2* A B2267 -829.634 -26.384 26.833 1.00848.95 C ATOM 47605 O2* A B2267 -830.027 -27.533 26.107 1.00848.95 O ATOM 47606 C1* A B2267 -828.169 -26.518 27.248 1.00848.95 C ATOM 47607 N9 A B2267 -827.918 -25.888 28.542 1.00848.95 N ATOM 47608 C8 A B2267 -826.841 -25.113 28.893 1.00848.95 C ATOM 47609 N7 A B2267 -826.895 -24.653 30.117 1.00848.95 N ATOM 47610 C5 A B2267 -828.085 -25.161 30.613 1.00848.95 C ATOM 47611 C6 A B2267 -828.722 -25.035 31.857 1.00848.95 C ATOM 47612 N6 A B2267 -828.231 -24.320 32.871 1.00848.95 N ATOM 47613 N1 A B2267 -829.900 -25.674 32.028 1.00848.95 N ATOM 47614 C2 A B2267 -830.396 -26.386 31.008 1.00848.95 C ATOM 47615 N3 A B2267 -829.893 -26.580 29.791 1.00848.95 N ATOM 47616 C4 A B2267 -828.724 -25.931 29.655 1.00848.95 C ATOM 47617 P G B2268 -832.168 -24.968 25.446 1.00848.95 P ATOM 47618 O1P G B2268 -832.292 -25.627 26.772 1.00848.95 O ATOM 47619 O2P G B2268 -833.026 -25.418 24.320 1.00848.95 O ATOM 47620 O5* G B2268 -832.394 -23.403 25.659 1.00848.95 O ATOM 47621 C5* G B2268 -833.134 -22.932 26.784 1.00848.95 C ATOM 47622 C4* G B2268 -833.953 -21.705 26.435 1.00848.95 C ATOM 47623 O4* G B2268 -833.205 -20.490 26.682 1.00848.95 O ATOM 47624 C3* G B2268 -834.559 -21.514 25.047 1.00848.95 C ATOM 47625 O3* G B2268 -835.744 -22.279 24.835 1.00848.95 O ATOM 47626 C2* G B2268 -834.870 -20.019 25.033 1.00848.95 C ATOM 47627 O2* G B2268 -836.113 -19.721 25.633 1.00848.95 O ATOM 47628 C1* G B2268 -833.747 -19.441 25.899 1.00848.95 C ATOM 47629 N9 G B2268 -832.666 -18.791 25.164 1.00848.95 N ATOM 47630 C8 G B2268 -831.341 -19.151 25.155 1.00848.95 C ATOM 47631 N7 G B2268 -830.600 -18.364 24.424 1.00848.95 N ATOM 47632 C5 G B2268 -831.490 -17.431 23.910 1.00848.95 C ATOM 47633 C6 G B2268 -831.263 -16.325 23.052 1.00848.95 C ATOM 47634 O6 G B2268 -830.195 -15.942 22.551 1.00848.95 O ATOM 47635 N1 G B2268 -832.440 -15.635 22.777 1.00848.95 N ATOM 47636 C2 G B2268 -833.687 -15.979 23.263 1.00848.95 C ATOM 47637 N2 G B2268 -834.714 -15.209 22.876 1.00848.95 N ATOM 47638 N3 G B2268 -833.908 -17.009 24.069 1.00848.95 N ATOM 47639 C4 G B2268 -832.773 -17.685 24.349 1.00848.95 C ATOM 47640 P G B2269 -836.110 -22.790 23.354 1.00848.95 P ATOM 47641 O1P G B2269 -837.381 -23.551 23.453 1.00848.95 O ATOM 47642 O2P G B2269 -834.908 -23.441 22.774 1.00848.95 O ATOM 47643 O5* G B2269 -836.398 -21.454 22.540 1.00848.95 O ATOM 47644 C5* G B2269 -837.727 -20.968 22.374 1.00848.95 C ATOM 47645 C4* G B2269 -837.770 -19.900 21.303 1.00848.95 C ATOM 47646 O4* G B2269 -836.958 -18.771 21.711 1.00848.95 O ATOM 47647 C3* G B2269 -837.301 -20.180 19.887 1.00848.95 C ATOM 47648 O3* G B2269 -838.288 -20.888 19.148 1.00848.95 O ATOM 47649 C2* G B2269 -837.057 -18.784 19.334 1.00848.95 C ATOM 47650 O2* G B2269 -838.245 -18.163 18.875 1.00848.95 O ATOM 47651 C1* G B2269 -836.531 -18.052 20.566 1.00848.95 C ATOM 47652 N9 G B2269 -835.074 -18.003 20.576 1.00848.95 N ATOM 47653 C8 G B2269 -834.224 -18.730 21.375 1.00848.95 C ATOM 47654 N7 G B2269 -832.963 -18.484 21.141 1.00848.95 N ATOM 47655 C5 G B2269 -832.982 -17.536 20.125 1.00848.95 C ATOM 47656 C6 G B2269 -831.913 -16.881 19.453 1.00848.95 C ATOM 47657 O6 G B2269 -830.693 -17.008 19.630 1.00848.95 O ATOM 47658 N1 G B2269 -832.385 -15.994 18.491 1.00848.95 N ATOM 47659 C2 G B2269 -833.708 -15.758 18.212 1.00848.95 C ATOM 47660 N2 G B2269 -833.962 -14.864 17.249 1.00848.95 N ATOM 47661 N3 G B2269 -834.710 -16.358 18.832 1.00848.95 N ATOM 47662 C4 G B2269 -834.276 -17.226 19.769 1.00848.95 C ATOM 47663 P U B2270 -837.875 -21.629 17.783 1.00848.95 P ATOM 47664 O1P U B2270 -839.126 -22.098 17.137 1.00848.95 O ATOM 47665 O2P U B2270 -836.802 -22.607 18.097 1.00848.95 O ATOM 47666 O5* U B2270 -837.246 -20.473 16.885 1.00848.95 O ATOM 47667 C5* U B2270 -838.075 -19.611 16.109 1.00848.95 C ATOM 47668 C4* U B2270 -837.266 -18.951 15.017 1.00848.95 C ATOM 47669 O4* U B2270 -836.283 -18.067 15.623 1.00848.95 O ATOM 47670 C3* U B2270 -836.431 -19.852 14.128 1.00848.95 C ATOM 47671 O3* U B2270 -837.210 -20.390 13.066 1.00848.95 O ATOM 47672 C2* U B2270 -835.358 -18.909 13.596 1.00848.95 C ATOM 47673 O2* U B2270 -835.788 -18.164 12.481 1.00848.95 O ATOM 47674 C1* U B2270 -835.142 -17.979 14.792 1.00848.95 C ATOM 47675 N1 U B2270 -833.968 -18.383 15.573 1.00848.95 N ATOM 47676 C2 U B2270 -832.771 -17.752 15.292 1.00848.95 C ATOM 47677 O2 U B2270 -832.672 -16.877 14.449 1.00848.95 O ATOM 47678 N3 U B2270 -831.698 -18.185 16.031 1.00848.95 N ATOM 47679 C4 U B2270 -831.708 -19.174 17.005 1.00848.95 C ATOM 47680 O4 U B2270 -830.651 -19.502 17.547 1.00848.95 O ATOM 47681 C5 U B2270 -832.988 -19.768 17.241 1.00848.95 C ATOM 47682 C6 U B2270 -834.050 -19.359 16.538 1.00848.95 C ATOM 47683 P C B2271 -836.923 -21.891 12.560 1.00848.95 P ATOM 47684 O1P C B2271 -838.224 -22.473 12.149 1.00848.95 O ATOM 47685 O2P C B2271 -836.103 -22.576 13.591 1.00848.95 O ATOM 47686 O5* C B2271 -836.027 -21.698 11.254 1.00848.95 O ATOM 47687 C5* C B2271 -836.150 -20.524 10.459 1.00848.95 C ATOM 47688 C4* C B2271 -834.800 -20.084 9.932 1.00848.95 C ATOM 47689 O4* C B2271 -833.949 -19.674 11.035 1.00848.95 O ATOM 47690 C3* C B2271 -834.052 -21.196 9.237 1.00848.95 C ATOM 47691 O3* C B2271 -834.392 -21.217 7.856 1.00848.95 O ATOM 47692 C2* C B2271 -832.592 -20.811 9.438 1.00848.95 C ATOM 47693 O2* C B2271 -832.137 -19.880 8.478 1.00848.95 O ATOM 47694 C1* C B2271 -832.627 -20.142 10.814 1.00848.95 C ATOM 47695 N1 C B2271 -832.266 -21.085 11.885 1.00848.95 N ATOM 47696 C2 C B2271 -830.919 -21.410 12.055 1.00848.95 C ATOM 47697 O2 C B2271 -830.076 -20.861 11.328 1.00848.95 O ATOM 47698 N3 C B2271 -830.568 -22.308 13.005 1.00848.95 N ATOM 47699 C4 C B2271 -831.511 -22.868 13.770 1.00848.95 C ATOM 47700 N4 C B2271 -831.126 -23.757 14.685 1.00848.95 N ATOM 47701 C5 C B2271 -832.892 -22.539 13.628 1.00848.95 C ATOM 47702 C6 C B2271 -833.221 -21.650 12.684 1.00848.95 C ATOM 47703 P A B2272 -834.141 -22.553 7.000 1.00848.95 P ATOM 47704 O1P A B2272 -834.541 -22.272 5.598 1.00848.95 O ATOM 47705 O2P A B2272 -834.765 -23.686 7.726 1.00848.95 O ATOM 47706 O5* A B2272 -832.561 -22.748 7.039 1.00848.95 O ATOM 47707 C5* A B2272 -831.976 -24.042 6.884 1.00848.95 C ATOM 47708 C4* A B2272 -830.482 -23.971 7.099 1.00848.95 C ATOM 47709 O4* A B2272 -830.204 -23.286 8.347 1.00848.95 O ATOM 47710 C3* A B2272 -829.760 -25.298 7.220 1.00848.95 C ATOM 47711 O3* A B2272 -829.426 -25.820 5.948 1.00848.95 O ATOM 47712 C2* A B2272 -828.516 -24.941 8.018 1.00848.95 C ATOM 47713 O2* A B2272 -827.485 -24.413 7.202 1.00848.95 O ATOM 47714 C1* A B2272 -829.052 -23.848 8.950 1.00848.95 C ATOM 47715 N9 A B2272 -829.451 -24.382 10.248 1.00848.95 N ATOM 47716 C8 A B2272 -830.733 -24.615 10.683 1.00848.95 C ATOM 47717 N7 A B2272 -830.800 -25.105 11.895 1.00848.95 N ATOM 47718 C5 A B2272 -829.474 -25.201 12.289 1.00848.95 C ATOM 47719 C6 A B2272 -828.870 -25.654 13.471 1.00848.95 C ATOM 47720 N6 A B2272 -829.557 -26.112 14.521 1.00848.95 N ATOM 47721 N1 A B2272 -827.522 -25.619 13.547 1.00848.95 N ATOM 47722 C2 A B2272 -826.837 -25.158 12.489 1.00848.95 C ATOM 47723 N3 A B2272 -827.289 -24.709 11.322 1.00848.95 N ATOM 47724 C4 A B2272 -828.630 -24.760 11.284 1.00848.95 C ATOM 47725 P C B2273 -829.627 -27.383 5.659 1.00848.95 P ATOM 47726 O1P C B2273 -829.605 -27.517 4.183 1.00848.95 O ATOM 47727 O2P C B2273 -830.781 -27.897 6.447 1.00848.95 O ATOM 47728 O5* C B2273 -828.298 -28.078 6.169 1.00848.95 O ATOM 47729 C5* C B2273 -827.114 -28.012 5.394 1.00848.95 C ATOM 47730 C4* C B2273 -825.940 -28.432 6.228 1.00848.95 C ATOM 47731 O4* C B2273 -825.927 -27.579 7.403 1.00848.95 O ATOM 47732 C3* C B2273 -825.978 -29.848 6.785 1.00848.95 C ATOM 47733 O3* C B2273 -825.455 -30.812 5.875 1.00848.95 O ATOM 47734 C2* C B2273 -825.132 -29.725 8.045 1.00848.95 C ATOM 47735 O2* C B2273 -823.748 -29.785 7.768 1.00848.95 O ATOM 47736 C1* C B2273 -825.497 -28.319 8.527 1.00848.95 C ATOM 47737 N1 C B2273 -826.583 -28.320 9.522 1.00848.95 N ATOM 47738 C2 C B2273 -826.258 -28.544 10.857 1.00848.95 C ATOM 47739 O2 C B2273 -825.070 -28.724 11.161 1.00848.95 O ATOM 47740 N3 C B2273 -827.244 -28.562 11.785 1.00848.95 N ATOM 47741 C4 C B2273 -828.510 -28.367 11.418 1.00848.95 C ATOM 47742 N4 C B2273 -829.445 -28.409 12.371 1.00848.95 N ATOM 47743 C5 C B2273 -828.872 -28.125 10.061 1.00848.95 C ATOM 47744 C6 C B2273 -827.885 -28.110 9.153 1.00848.95 C ATOM 47745 P C B2274 -825.819 -32.368 6.064 1.00848.95 P ATOM 47746 O1P C B2274 -825.245 -33.108 4.911 1.00848.95 O ATOM 47747 O2P C B2274 -827.271 -32.478 6.353 1.00848.95 O ATOM 47748 O5* C B2274 -825.022 -32.805 7.373 1.00848.95 O ATOM 47749 C5* C B2274 -823.598 -32.884 7.373 1.00848.95 C ATOM 47750 C4* C B2274 -823.085 -33.055 8.784 1.00848.95 C ATOM 47751 O4* C B2274 -823.560 -31.937 9.580 1.00848.95 O ATOM 47752 C3* C B2274 -823.559 -34.288 9.550 1.00848.95 C ATOM 47753 O3* C B2274 -822.788 -35.462 9.295 1.00848.95 O ATOM 47754 C2* C B2274 -823.437 -33.840 11.002 1.00848.95 C ATOM 47755 O2* C B2274 -822.121 -33.961 11.499 1.00848.95 O ATOM 47756 C1* C B2274 -823.815 -32.362 10.906 1.00848.95 C ATOM 47757 N1 C B2274 -825.238 -32.110 11.189 1.00848.95 N ATOM 47758 C2 C B2274 -825.641 -31.874 12.509 1.00848.95 C ATOM 47759 O2 C B2274 -824.787 -31.894 13.409 1.00848.95 O ATOM 47760 N3 C B2274 -826.947 -31.636 12.770 1.00848.95 N ATOM 47761 C4 C B2274 -827.836 -31.628 11.775 1.00848.95 C ATOM 47762 N4 C B2274 -829.114 -31.382 12.073 1.00848.95 N ATOM 47763 C5 C B2274 -827.455 -31.872 10.422 1.00848.95 C ATOM 47764 C6 C B2274 -826.162 -32.108 10.179 1.00848.95 C ATOM 47765 P U B2275 -823.534 -36.853 8.972 1.00848.95 P ATOM 47766 O1P U B2275 -822.536 -37.742 8.322 1.00848.95 O ATOM 47767 O2P U B2275 -824.811 -36.553 8.275 1.00848.95 O ATOM 47768 O5* U B2275 -823.879 -37.470 10.402 1.00848.95 O ATOM 47769 C5* U B2275 -824.853 -36.869 11.249 1.00848.95 C ATOM 47770 C4* U B2275 -825.181 -37.781 12.406 1.00848.95 C ATOM 47771 O4* U B2275 -825.967 -38.898 11.915 1.00848.95 O ATOM 47772 C3* U B2275 -824.048 -38.471 13.129 1.00848.95 C ATOM 47773 O3* U B2275 -823.450 -37.592 14.072 1.00848.95 O ATOM 47774 C2* U B2275 -824.724 -39.663 13.794 1.00848.95 C ATOM 47775 O2* U B2275 -825.318 -39.325 15.033 1.00848.95 O ATOM 47776 C1* U B2275 -825.816 -40.009 12.780 1.00848.95 C ATOM 47777 N1 U B2275 -825.477 -41.177 11.953 1.00848.95 N ATOM 47778 C2 U B2275 -825.959 -42.408 12.352 1.00848.95 C ATOM 47779 O2 U B2275 -826.646 -42.561 13.348 1.00848.95 O ATOM 47780 N3 U B2275 -825.602 -43.456 11.538 1.00848.95 N ATOM 47781 C4 U B2275 -824.834 -43.398 10.391 1.00848.95 C ATOM 47782 O4 U B2275 -824.601 -44.430 9.766 1.00848.95 O ATOM 47783 C5 U B2275 -824.379 -42.087 10.046 1.00848.95 C ATOM 47784 C6 U B2275 -824.707 -41.048 10.818 1.00848.95 C ATOM 47785 P C B2276 -821.864 -37.648 14.311 1.00848.95 P ATOM 47786 O1P C B2276 -821.333 -36.280 14.084 1.00848.95 O ATOM 47787 O2P C B2276 -821.310 -38.786 13.533 1.00848.95 O ATOM 47788 O5* C B2276 -821.717 -37.982 15.861 1.00848.95 O ATOM 47789 C5* C B2276 -820.827 -38.999 16.306 1.00848.95 C ATOM 47790 C4* C B2276 -821.274 -39.537 17.644 1.00848.95 C ATOM 47791 O4* C B2276 -822.714 -39.747 17.624 1.00848.95 O ATOM 47792 C3* C B2276 -820.698 -40.885 17.992 1.00848.95 C ATOM 47793 O3* C B2276 -819.417 -40.765 18.605 1.00848.95 O ATOM 47794 C2* C B2276 -821.737 -41.470 18.939 1.00848.95 C ATOM 47795 O2* C B2276 -821.592 -40.998 20.265 1.00848.95 O ATOM 47796 C1* C B2276 -823.034 -40.925 18.344 1.00848.95 C ATOM 47797 N1 C B2276 -823.629 -41.894 17.414 1.00848.95 N ATOM 47798 C2 C B2276 -824.741 -42.632 17.829 1.00848.95 C ATOM 47799 O2 C B2276 -825.220 -42.412 18.952 1.00848.95 O ATOM 47800 N3 C B2276 -825.270 -43.562 17.000 1.00848.95 N ATOM 47801 C4 C B2276 -824.729 -43.763 15.796 1.00848.95 C ATOM 47802 N4 C B2276 -825.270 -44.701 15.016 1.00848.95 N ATOM 47803 C5 C B2276 -823.607 -43.010 15.337 1.00848.95 C ATOM 47804 C6 C B2276 -823.094 -42.096 16.170 1.00848.95 C ATOM 47805 P A B2277 -818.200 -41.668 18.066 1.00848.95 P ATOM 47806 O1P A B2277 -817.087 -40.758 17.703 1.00848.95 O ATOM 47807 O2P A B2277 -818.740 -42.612 17.052 1.00848.95 O ATOM 47808 O5* A B2277 -817.762 -42.515 19.345 1.00848.95 O ATOM 47809 C5* A B2277 -817.875 -41.959 20.652 1.00848.95 C ATOM 47810 C4* A B2277 -818.540 -42.938 21.591 1.00848.95 C ATOM 47811 O4* A B2277 -819.887 -43.237 21.142 1.00848.95 O ATOM 47812 C3* A B2277 -817.842 -44.282 21.702 1.00848.95 C ATOM 47813 O3* A B2277 -816.809 -44.254 22.677 1.00848.95 O ATOM 47814 C2* A B2277 -818.977 -45.215 22.108 1.00848.95 C ATOM 47815 O2* A B2277 -819.232 -45.187 23.497 1.00848.95 O ATOM 47816 C1* A B2277 -820.167 -44.610 21.361 1.00848.95 C ATOM 47817 N9 A B2277 -820.397 -45.253 20.068 1.00848.95 N ATOM 47818 C8 A B2277 -820.456 -44.670 18.827 1.00848.95 C ATOM 47819 N7 A B2277 -820.672 -45.519 17.853 1.00848.95 N ATOM 47820 C5 A B2277 -820.763 -46.746 18.493 1.00848.95 C ATOM 47821 C6 A B2277 -820.989 -48.047 18.017 1.00848.95 C ATOM 47822 N6 A B2277 -821.175 -48.330 16.722 1.00848.95 N ATOM 47823 N1 A B2277 -821.019 -49.050 18.921 1.00848.95 N ATOM 47824 C2 A B2277 -820.840 -48.754 20.217 1.00848.95 C ATOM 47825 N3 A B2277 -820.624 -47.571 20.787 1.00848.95 N ATOM 47826 C4 A B2277 -820.594 -46.595 19.861 1.00848.95 C ATOM 47827 P A B2278 -815.594 -45.303 22.579 1.00848.95 P ATOM 47828 O1P A B2278 -815.406 -45.890 23.931 1.00848.95 O ATOM 47829 O2P A B2278 -814.456 -44.632 21.905 1.00848.95 O ATOM 47830 O5* A B2278 -816.143 -46.447 21.612 1.00848.95 O ATOM 47831 C5* A B2278 -816.642 -47.674 22.135 1.00848.95 C ATOM 47832 C4* A B2278 -816.761 -48.705 21.034 1.00848.95 C ATOM 47833 O4* A B2278 -817.777 -48.279 20.091 1.00848.95 O ATOM 47834 C3* A B2278 -815.555 -48.906 20.127 1.00848.95 C ATOM 47835 O3* A B2278 -814.559 -49.738 20.717 1.00848.95 O ATOM 47836 C2* A B2278 -816.157 -49.535 18.876 1.00848.95 C ATOM 47837 O2* A B2278 -816.308 -50.934 18.991 1.00848.95 O ATOM 47838 C1* A B2278 -817.533 -48.868 18.826 1.00848.95 C ATOM 47839 N9 A B2278 -817.605 -47.811 17.821 1.00848.95 N ATOM 47840 C8 A B2278 -817.280 -46.486 17.967 1.00848.95 C ATOM 47841 N7 A B2278 -817.437 -45.778 16.876 1.00848.95 N ATOM 47842 C5 A B2278 -817.900 -46.695 15.945 1.00848.95 C ATOM 47843 C6 A B2278 -818.258 -46.574 14.593 1.00848.95 C ATOM 47844 N6 A B2278 -818.201 -45.425 13.912 1.00848.95 N ATOM 47845 N1 A B2278 -818.679 -47.684 13.952 1.00848.95 N ATOM 47846 C2 A B2278 -818.736 -48.836 14.635 1.00848.95 C ATOM 47847 N3 A B2278 -818.427 -49.077 15.909 1.00848.95 N ATOM 47848 C4 A B2278 -818.009 -47.952 16.514 1.00848.95 C ATOM 47849 P G B2279 -813.038 -49.647 20.202 1.00848.95 P ATOM 47850 O1P G B2279 -812.170 -50.166 21.290 1.00848.95 O ATOM 47851 O2P G B2279 -812.807 -48.277 19.674 1.00848.95 O ATOM 47852 O5* G B2279 -812.963 -50.670 18.981 1.00848.95 O ATOM 47853 C5* G B2279 -812.911 -52.078 19.204 1.00848.95 C ATOM 47854 C4* G B2279 -812.948 -52.823 17.886 1.00848.95 C ATOM 47855 O4* G B2279 -814.199 -52.536 17.211 1.00848.95 O ATOM 47856 C3* G B2279 -811.878 -52.493 16.862 1.00848.95 C ATOM 47857 O3* G B2279 -810.706 -53.263 17.123 1.00848.95 O ATOM 47858 C2* G B2279 -812.531 -52.876 15.542 1.00848.95 C ATOM 47859 O2* G B2279 -812.400 -54.251 15.249 1.00848.95 O ATOM 47860 C1* G B2279 -814.004 -52.551 15.811 1.00848.95 C ATOM 47861 N9 G B2279 -814.413 -51.254 15.282 1.00848.95 N ATOM 47862 C8 G B2279 -814.247 -50.027 15.879 1.00848.95 C ATOM 47863 N7 G B2279 -814.725 -49.042 15.170 1.00848.95 N ATOM 47864 C5 G B2279 -815.236 -49.655 14.034 1.00848.95 C ATOM 47865 C6 G B2279 -815.887 -49.098 12.903 1.00848.95 C ATOM 47866 O6 G B2279 -816.146 -47.912 12.670 1.00848.95 O ATOM 47867 N1 G B2279 -816.246 -50.077 11.985 1.00848.95 N ATOM 47868 C2 G B2279 -816.012 -51.421 12.132 1.00848.95 C ATOM 47869 N2 G B2279 -816.433 -52.210 11.129 1.00848.95 N ATOM 47870 N3 G B2279 -815.410 -51.956 13.183 1.00848.95 N ATOM 47871 C4 G B2279 -815.053 -51.022 14.087 1.00848.95 C ATOM 47872 P A B2280 -809.275 -52.748 16.600 1.00848.95 P ATOM 47873 O1P A B2280 -808.242 -53.594 17.249 1.00848.95 O ATOM 47874 O2P A B2280 -809.220 -51.274 16.761 1.00848.95 O ATOM 47875 O5* A B2280 -809.276 -53.087 15.043 1.00848.95 O ATOM 47876 C5* A B2280 -809.473 -54.422 14.579 1.00848.95 C ATOM 47877 C4* A B2280 -809.815 -54.421 13.106 1.00848.95 C ATOM 47878 O4* A B2280 -811.101 -53.781 12.901 1.00848.95 O ATOM 47879 C3* A B2280 -808.825 -53.614 12.287 1.00848.95 C ATOM 47880 O3* A B2280 -807.725 -54.422 11.881 1.00848.95 O ATOM 47881 C2* A B2280 -809.665 -53.133 11.107 1.00848.95 C ATOM 47882 O2* A B2280 -809.758 -54.094 10.073 1.00848.95 O ATOM 47883 C1* A B2280 -811.038 -52.947 11.758 1.00848.95 C ATOM 47884 N9 A B2280 -811.293 -51.573 12.187 1.00848.95 N ATOM 47885 C8 A B2280 -810.769 -50.931 13.280 1.00848.95 C ATOM 47886 N7 A B2280 -811.178 -49.693 13.416 1.00848.95 N ATOM 47887 C5 A B2280 -812.032 -49.506 12.341 1.00848.95 C ATOM 47888 C6 A B2280 -812.791 -48.402 11.916 1.00848.95 C ATOM 47889 N6 A B2280 -812.812 -47.229 12.553 1.00848.95 N ATOM 47890 N1 A B2280 -813.538 -48.542 10.799 1.00848.95 N ATOM 47891 C2 A B2280 -813.515 -49.719 10.160 1.00848.95 C ATOM 47892 N3 A B2280 -812.842 -50.831 10.459 1.00848.95 N ATOM 47893 C4 A B2280 -812.113 -50.656 11.574 1.00848.95 C ATOM 47894 P C B2281 -806.473 -53.745 11.135 1.00848.95 P ATOM 47895 O1P C B2281 -805.388 -54.758 11.064 1.00848.95 O ATOM 47896 O2P C B2281 -806.206 -52.428 11.770 1.00848.95 O ATOM 47897 O5* C B2281 -807.003 -53.478 9.655 1.00848.95 O ATOM 47898 C5* C B2281 -806.267 -53.917 8.517 1.00848.95 C ATOM 47899 C4* C B2281 -805.650 -52.732 7.817 1.00848.95 C ATOM 47900 O4* C B2281 -806.705 -51.810 7.454 1.00848.95 O ATOM 47901 C3* C B2281 -804.718 -51.924 8.697 1.00848.95 C ATOM 47902 O3* C B2281 -803.398 -52.452 8.665 1.00848.95 O ATOM 47903 C2* C B2281 -804.804 -50.524 8.098 1.00848.95 C ATOM 47904 O2* C B2281 -803.935 -50.349 6.996 1.00848.95 O ATOM 47905 C1* C B2281 -806.259 -50.477 7.618 1.00848.95 C ATOM 47906 N1 C B2281 -807.176 -49.816 8.563 1.00848.95 N ATOM 47907 C2 C B2281 -808.251 -49.081 8.060 1.00848.95 C ATOM 47908 O2 C B2281 -808.397 -48.991 6.832 1.00848.95 O ATOM 47909 N3 C B2281 -809.105 -48.485 8.927 1.00848.95 N ATOM 47910 C4 C B2281 -808.911 -48.602 10.241 1.00848.95 C ATOM 47911 N4 C B2281 -809.780 -48.003 11.056 1.00848.95 N ATOM 47912 C5 C B2281 -807.817 -49.337 10.778 1.00848.95 C ATOM 47913 C6 C B2281 -806.982 -49.923 9.911 1.00848.95 C ATOM 47914 P G B2282 -802.816 -53.212 9.954 1.00848.95 P ATOM 47915 O1P G B2282 -802.844 -54.667 9.655 1.00848.95 O ATOM 47916 O2P G B2282 -803.507 -52.697 11.161 1.00848.95 O ATOM 47917 O5* G B2282 -801.291 -52.750 10.005 1.00848.95 O ATOM 47918 C5* G B2282 -800.543 -52.591 8.807 1.00848.95 C ATOM 47919 C4* G B2282 -800.403 -51.132 8.456 1.00848.95 C ATOM 47920 O4* G B2282 -801.704 -50.492 8.400 1.00848.95 O ATOM 47921 C3* G B2282 -799.570 -50.292 9.418 1.00848.95 C ATOM 47922 O3* G B2282 -798.179 -50.377 9.126 1.00848.95 O ATOM 47923 C2* G B2282 -800.112 -48.885 9.181 1.00848.95 C ATOM 47924 O2* G B2282 -799.508 -48.247 8.075 1.00848.95 O ATOM 47925 C1* G B2282 -801.587 -49.156 8.860 1.00848.95 C ATOM 47926 N9 G B2282 -802.494 -48.950 9.982 1.00848.95 N ATOM 47927 C8 G B2282 -802.668 -49.754 11.084 1.00848.95 C ATOM 47928 N7 G B2282 -803.569 -49.298 11.913 1.00848.95 N ATOM 47929 C5 G B2282 -804.011 -48.120 11.329 1.00848.95 C ATOM 47930 C6 G B2282 -804.988 -47.180 11.765 1.00848.95 C ATOM 47931 O6 G B2282 -805.681 -47.204 12.791 1.00848.95 O ATOM 47932 N1 G B2282 -805.124 -46.127 10.867 1.00848.95 N ATOM 47933 C2 G B2282 -804.414 -45.991 9.700 1.00848.95 C ATOM 47934 N2 G B2282 -804.688 -44.902 8.965 1.00848.95 N ATOM 47935 N3 G B2282 -803.506 -46.858 9.281 1.00848.95 N ATOM 47936 C4 G B2282 -803.357 -47.890 10.136 1.00848.95 C ATOM 47937 P G B2283 -797.110 -49.851 10.201 1.00848.95 P ATOM 47938 O1P G B2283 -796.103 -50.928 10.388 1.00848.95 O ATOM 47939 O2P G B2283 -797.845 -49.324 11.380 1.00848.95 O ATOM 47940 O5* G B2283 -796.406 -48.629 9.461 1.00848.95 O ATOM 47941 C5* G B2283 -796.035 -47.448 10.162 1.00848.95 C ATOM 47942 C4* G B2283 -796.724 -46.250 9.558 1.00848.95 C ATOM 47943 O4* G B2283 -798.134 -46.541 9.344 1.00848.95 O ATOM 47944 C3* G B2283 -796.717 -44.990 10.394 1.00848.95 C ATOM 47945 O3* G B2283 -795.506 -44.267 10.208 1.00848.95 O ATOM 47946 C2* G B2283 -797.933 -44.230 9.875 1.00848.95 C ATOM 47947 O2* G B2283 -797.654 -43.498 8.695 1.00848.95 O ATOM 47948 C1* G B2283 -798.904 -45.369 9.558 1.00848.95 C ATOM 47949 N9 G B2283 -799.828 -45.613 10.665 1.00848.95 N ATOM 47950 C8 G B2283 -799.713 -46.559 11.653 1.00848.95 C ATOM 47951 N7 G B2283 -800.677 -46.505 12.530 1.00848.95 N ATOM 47952 C5 G B2283 -801.486 -45.465 12.092 1.00848.95 C ATOM 47953 C6 G B2283 -802.685 -44.927 12.648 1.00848.95 C ATOM 47954 O6 G B2283 -803.285 -45.274 13.668 1.00848.95 O ATOM 47955 N1 G B2283 -803.182 -43.876 11.884 1.00848.95 N ATOM 47956 C2 G B2283 -802.601 -43.403 10.728 1.00848.95 C ATOM 47957 N2 G B2283 -803.238 -42.392 10.119 1.00848.95 N ATOM 47958 N3 G B2283 -801.483 -43.889 10.206 1.00848.95 N ATOM 47959 C4 G B2283 -800.984 -44.910 10.936 1.00848.95 C ATOM 47960 P U B2284 -795.251 -42.924 11.050 1.00848.95 P ATOM 47961 O1P U B2284 -795.915 -41.808 10.334 1.00848.95 O ATOM 47962 O2P U B2284 -793.801 -42.841 11.357 1.00848.95 O ATOM 47963 O5* U B2284 -796.032 -43.179 12.414 1.00848.95 O ATOM 47964 C5* U B2284 -795.357 -43.122 13.673 1.00848.95 C ATOM 47965 C4* U B2284 -795.202 -41.685 14.111 1.00848.95 C ATOM 47966 O4* U B2284 -796.489 -41.015 14.048 1.00848.95 O ATOM 47967 C3* U B2284 -794.731 -41.541 15.553 1.00848.95 C ATOM 47968 O3* U B2284 -793.320 -41.556 15.721 1.00848.95 O ATOM 47969 C2* U B2284 -795.331 -40.203 15.974 1.00848.95 C ATOM 47970 O2* U B2284 -794.533 -39.104 15.584 1.00848.95 O ATOM 47971 C1* U B2284 -796.644 -40.182 15.185 1.00848.95 C ATOM 47972 N1 U B2284 -797.798 -40.658 15.958 1.00848.95 N ATOM 47973 C2 U B2284 -797.974 -40.150 17.233 1.00848.95 C ATOM 47974 O2 U B2284 -797.225 -39.318 17.717 1.00848.95 O ATOM 47975 N3 U B2284 -799.058 -40.645 17.913 1.00848.95 N ATOM 47976 C4 U B2284 -799.968 -41.580 17.457 1.00848.95 C ATOM 47977 O4 U B2284 -800.884 -41.941 18.196 1.00848.95 O ATOM 47978 C5 U B2284 -799.723 -42.054 16.130 1.00848.95 C ATOM 47979 C6 U B2284 -798.672 -41.589 15.443 1.00848.95 C ATOM 47980 P U B2285 -792.693 -41.871 17.167 1.00848.95 P ATOM 47981 O1P U B2285 -791.231 -41.627 17.084 1.00848.95 O ATOM 47982 O2P U B2285 -793.191 -43.199 17.607 1.00848.95 O ATOM 47983 O5* U B2285 -793.328 -40.766 18.124 1.00848.95 O ATOM 47984 C5* U B2285 -792.939 -39.399 18.031 1.00848.95 C ATOM 47985 C4* U B2285 -792.587 -38.866 19.400 1.00848.95 C ATOM 47986 O4* U B2285 -793.658 -38.005 19.868 1.00848.95 O ATOM 47987 C3* U B2285 -792.479 -39.883 20.517 1.00848.95 C ATOM 47988 O3* U B2285 -791.212 -40.531 20.510 1.00848.95 O ATOM 47989 C2* U B2285 -792.690 -39.050 21.776 1.00848.95 C ATOM 47990 O2* U B2285 -791.505 -38.412 22.211 1.00848.95 O ATOM 47991 C1* U B2285 -793.688 -38.000 21.283 1.00848.95 C ATOM 47992 N1 U B2285 -795.063 -38.298 21.709 1.00848.95 N ATOM 47993 C2 U B2285 -795.582 -37.573 22.766 1.00848.95 C ATOM 47994 O2 U B2285 -794.958 -36.698 23.342 1.00848.95 O ATOM 47995 N3 U B2285 -796.863 -37.916 23.124 1.00848.95 N ATOM 47996 C4 U B2285 -797.658 -38.884 22.547 1.00848.95 C ATOM 47997 O4 U B2285 -798.790 -39.085 22.992 1.00848.95 O ATOM 47998 C5 U B2285 -797.051 -39.582 21.455 1.00848.95 C ATOM 47999 C6 U B2285 -795.804 -39.273 21.083 1.00848.95 C ATOM 48000 P G B2286 -791.128 -42.109 20.795 1.00848.95 P ATOM 48001 O1P G B2286 -791.345 -42.304 22.249 1.00848.95 O ATOM 48002 O2P G B2286 -789.895 -42.639 20.158 1.00848.95 O ATOM 48003 O5* G B2286 -792.391 -42.714 20.031 1.00848.95 O ATOM 48004 C5* G B2286 -793.225 -43.677 20.666 1.00848.95 C ATOM 48005 C4* G B2286 -794.572 -43.074 20.990 1.00848.95 C ATOM 48006 O4* G B2286 -795.152 -42.482 19.797 1.00848.95 O ATOM 48007 C3* G B2286 -795.636 -44.053 21.492 1.00848.95 C ATOM 48008 O3* G B2286 -795.548 -44.357 22.879 1.00848.95 O ATOM 48009 C2* G B2286 -796.935 -43.344 21.121 1.00848.95 C ATOM 48010 O2* G B2286 -797.298 -42.352 22.059 1.00848.95 O ATOM 48011 C1* G B2286 -796.557 -42.679 19.798 1.00848.95 C ATOM 48012 N9 G B2286 -796.895 -43.499 18.637 1.00848.95 N ATOM 48013 C8 G B2286 -796.097 -43.740 17.547 1.00848.95 C ATOM 48014 N7 G B2286 -796.656 -44.518 16.662 1.00848.95 N ATOM 48015 C5 G B2286 -797.905 -44.810 17.198 1.00848.95 C ATOM 48016 C6 G B2286 -798.954 -45.612 16.687 1.00848.95 C ATOM 48017 O6 G B2286 -798.995 -46.246 15.625 1.00848.95 O ATOM 48018 N1 G B2286 -800.045 -45.636 17.551 1.00848.95 N ATOM 48019 C2 G B2286 -800.118 -44.979 18.753 1.00848.95 C ATOM 48020 N2 G B2286 -801.264 -45.134 19.439 1.00848.95 N ATOM 48021 N3 G B2286 -799.144 -44.225 19.245 1.00848.95 N ATOM 48022 C4 G B2286 -798.072 -44.186 18.417 1.00848.95 C ATOM 48023 P G B2287 -796.601 -45.378 23.541 1.00848.95 P ATOM 48024 O1P G B2287 -797.413 -45.952 22.439 1.00848.95 O ATOM 48025 O2P G B2287 -797.274 -44.679 24.663 1.00848.95 O ATOM 48026 O5* G B2287 -795.695 -46.541 24.148 1.00848.95 O ATOM 48027 C5* G B2287 -796.294 -47.723 24.675 1.00848.95 C ATOM 48028 C4* G B2287 -795.590 -48.948 24.140 1.00848.95 C ATOM 48029 O4* G B2287 -794.364 -49.170 24.887 1.00848.95 O ATOM 48030 C3* G B2287 -796.293 -50.269 24.390 1.00848.95 C ATOM 48031 O3* G B2287 -797.309 -50.453 23.412 1.00848.95 O ATOM 48032 C2* G B2287 -795.195 -51.320 24.302 1.00848.95 C ATOM 48033 O2* G B2287 -794.982 -51.776 22.980 1.00848.95 O ATOM 48034 C1* G B2287 -793.982 -50.533 24.792 1.00848.95 C ATOM 48035 N9 G B2287 -793.574 -50.983 26.119 1.00848.95 N ATOM 48036 C8 G B2287 -794.381 -51.120 27.224 1.00848.95 C ATOM 48037 N7 G B2287 -793.750 -51.585 28.266 1.00848.95 N ATOM 48038 C5 G B2287 -792.445 -51.759 27.828 1.00848.95 C ATOM 48039 C6 G B2287 -791.304 -52.237 28.518 1.00848.95 C ATOM 48040 O6 G B2287 -791.214 -52.625 29.687 1.00848.95 O ATOM 48041 N1 G B2287 -790.180 -52.246 27.697 1.00848.95 N ATOM 48042 C2 G B2287 -790.157 -51.849 26.385 1.00848.95 C ATOM 48043 N2 G B2287 -788.970 -51.927 25.763 1.00848.95 N ATOM 48044 N3 G B2287 -791.214 -51.401 25.731 1.00848.95 N ATOM 48045 C4 G B2287 -792.318 -51.382 26.507 1.00848.95 C ATOM 48046 P A B2288 -798.835 -50.118 23.797 1.00848.95 P ATOM 48047 O1P A B2288 -798.994 -48.645 23.702 1.00848.95 O ATOM 48048 O2P A B2288 -799.161 -50.813 25.066 1.00848.95 O ATOM 48049 O5* A B2288 -799.698 -50.776 22.630 1.00848.95 O ATOM 48050 C5* A B2288 -800.871 -50.136 22.129 1.00848.95 C ATOM 48051 C4* A B2288 -802.082 -50.623 22.884 1.00848.95 C ATOM 48052 O4* A B2288 -801.761 -50.713 24.293 1.00848.95 O ATOM 48053 C3* A B2288 -803.302 -49.718 22.806 1.00848.95 C ATOM 48054 O3* A B2288 -804.089 -49.971 21.643 1.00848.95 O ATOM 48055 C2* A B2288 -804.037 -50.033 24.104 1.00848.95 C ATOM 48056 O2* A B2288 -804.845 -51.188 24.004 1.00848.95 O ATOM 48057 C1* A B2288 -802.875 -50.301 25.063 1.00848.95 C ATOM 48058 N9 A B2288 -802.466 -49.115 25.807 1.00848.95 N ATOM 48059 C8 A B2288 -801.363 -48.329 25.566 1.00848.95 C ATOM 48060 N7 A B2288 -801.252 -47.310 26.378 1.00848.95 N ATOM 48061 C5 A B2288 -802.351 -47.432 27.215 1.00848.95 C ATOM 48062 C6 A B2288 -802.805 -46.655 28.283 1.00848.95 C ATOM 48063 N6 A B2288 -802.189 -45.547 28.704 1.00848.95 N ATOM 48064 N1 A B2288 -803.930 -47.049 28.914 1.00848.95 N ATOM 48065 C2 A B2288 -804.553 -48.155 28.488 1.00848.95 C ATOM 48066 N3 A B2288 -804.225 -48.969 27.484 1.00848.95 N ATOM 48067 C4 A B2288 -803.099 -48.544 26.883 1.00848.95 C ATOM 48068 P A B2289 -804.441 -48.765 20.639 1.00848.95 P ATOM 48069 O1P A B2289 -805.435 -49.274 19.661 1.00848.95 O ATOM 48070 O2P A B2289 -803.168 -48.175 20.154 1.00848.95 O ATOM 48071 O5* A B2289 -805.167 -47.690 21.558 1.00848.95 O ATOM 48072 C5* A B2289 -806.275 -48.049 22.379 1.00848.95 C ATOM 48073 C4* A B2289 -806.327 -47.154 23.590 1.00848.95 C ATOM 48074 O4* A B2289 -805.086 -47.301 24.330 1.00848.95 O ATOM 48075 C3* A B2289 -806.412 -45.678 23.256 1.00848.95 C ATOM 48076 O3* A B2289 -807.769 -45.271 23.110 1.00848.95 O ATOM 48077 C2* A B2289 -805.745 -45.026 24.456 1.00848.95 C ATOM 48078 O2* A B2289 -806.637 -44.891 25.546 1.00848.95 O ATOM 48079 C1* A B2289 -804.652 -46.040 24.800 1.00848.95 C ATOM 48080 N9 A B2289 -803.374 -45.746 24.144 1.00848.95 N ATOM 48081 C8 A B2289 -802.872 -46.362 23.028 1.00848.95 C ATOM 48082 N7 A B2289 -801.712 -45.895 22.638 1.00848.95 N ATOM 48083 C5 A B2289 -801.427 -44.902 23.565 1.00848.95 C ATOM 48084 C6 A B2289 -800.334 -44.024 23.701 1.00848.95 C ATOM 48085 N6 A B2289 -799.289 -44.008 22.875 1.00848.95 N ATOM 48086 N1 A B2289 -800.351 -43.159 24.732 1.00848.95 N ATOM 48087 C2 A B2289 -801.395 -43.178 25.560 1.00848.95 C ATOM 48088 N3 A B2289 -802.483 -43.949 25.537 1.00848.95 N ATOM 48089 C4 A B2289 -802.439 -44.799 24.501 1.00848.95 C ATOM 48090 P A B2290 -808.200 -44.388 21.837 1.00848.95 P ATOM 48091 O1P A B2290 -809.686 -44.419 21.762 1.00848.95 O ATOM 48092 O2P A B2290 -807.403 -44.836 20.666 1.00848.95 O ATOM 48093 O5* A B2290 -807.758 -42.903 22.203 1.00848.95 O ATOM 48094 C5* A B2290 -807.526 -41.936 21.182 1.00848.95 C ATOM 48095 C4* A B2290 -806.923 -40.677 21.766 1.00848.95 C ATOM 48096 O4* A B2290 -805.847 -41.032 22.672 1.00848.95 O ATOM 48097 C3* A B2290 -806.291 -39.737 20.774 1.00848.95 C ATOM 48098 O3* A B2290 -807.282 -38.867 20.251 1.00848.95 O ATOM 48099 C2* A B2290 -805.270 -38.981 21.617 1.00848.95 C ATOM 48100 O2* A B2290 -805.842 -37.903 22.326 1.00848.95 O ATOM 48101 C1* A B2290 -804.817 -40.064 22.597 1.00848.95 C ATOM 48102 N9 A B2290 -803.583 -40.709 22.146 1.00848.95 N ATOM 48103 C8 A B2290 -803.295 -42.049 22.040 1.00848.95 C ATOM 48104 N7 A B2290 -802.098 -42.298 21.558 1.00848.95 N ATOM 48105 C5 A B2290 -801.562 -41.034 21.344 1.00848.95 C ATOM 48106 C6 A B2290 -800.319 -40.603 20.843 1.00848.95 C ATOM 48107 N6 A B2290 -799.349 -41.429 20.452 1.00848.95 N ATOM 48108 N1 A B2290 -800.105 -39.274 20.756 1.00848.95 N ATOM 48109 C2 A B2290 -801.073 -38.441 21.148 1.00848.95 C ATOM 48110 N3 A B2290 -802.280 -38.720 21.634 1.00848.95 N ATOM 48111 C4 A B2290 -802.464 -40.050 21.706 1.00848.95 C ATOM 48112 P U B2291 -807.122 -38.308 18.752 1.00848.95 P ATOM 48113 O1P U B2291 -807.570 -36.893 18.720 1.00848.95 O ATOM 48114 O2P U B2291 -807.751 -39.293 17.838 1.00848.95 O ATOM 48115 O5* U B2291 -805.547 -38.331 18.498 1.00848.95 O ATOM 48116 C5* U B2291 -804.885 -37.231 17.875 1.00848.95 C ATOM 48117 C4* U B2291 -804.686 -37.506 16.400 1.00848.95 C ATOM 48118 O4* U B2291 -803.819 -38.655 16.211 1.00848.95 O ATOM 48119 C3* U B2291 -805.938 -37.833 15.601 1.00848.95 C ATOM 48120 O3* U B2291 -806.638 -36.661 15.196 1.00848.95 O ATOM 48121 C2* U B2291 -805.388 -38.621 14.414 1.00848.95 C ATOM 48122 O2* U B2291 -804.923 -37.775 13.379 1.00848.95 O ATOM 48123 C1* U B2291 -804.195 -39.353 15.036 1.00848.95 C ATOM 48124 N1 U B2291 -804.443 -40.755 15.399 1.00848.95 N ATOM 48125 C2 U B2291 -803.966 -41.760 14.558 1.00848.95 C ATOM 48126 O2 U B2291 -803.408 -41.552 13.498 1.00848.95 O ATOM 48127 N3 U B2291 -804.185 -43.037 15.008 1.00848.95 N ATOM 48128 C4 U B2291 -804.832 -43.414 16.163 1.00848.95 C ATOM 48129 O4 U B2291 -804.928 -44.611 16.433 1.00848.95 O ATOM 48130 C5 U B2291 -805.325 -42.330 16.954 1.00848.95 C ATOM 48131 C6 U B2291 -805.117 -41.069 16.554 1.00848.95 C ATOM 48132 P C B2292 -808.167 -36.773 14.719 1.00848.95 P ATOM 48133 O1P C B2292 -808.660 -35.394 14.479 1.00848.95 O ATOM 48134 O2P C B2292 -808.891 -37.656 15.667 1.00848.95 O ATOM 48135 O5* C B2292 -808.071 -37.518 13.315 1.00848.95 O ATOM 48136 C5* C B2292 -807.592 -36.834 12.160 1.00848.95 C ATOM 48137 C4* C B2292 -807.434 -37.801 11.015 1.00848.95 C ATOM 48138 O4* C B2292 -806.519 -38.863 11.401 1.00848.95 O ATOM 48139 C3* C B2292 -808.633 -38.596 10.529 1.00848.95 C ATOM 48140 O3* C B2292 -809.422 -37.782 9.673 1.00848.95 O ATOM 48141 C2* C B2292 -808.027 -39.786 9.799 1.00848.95 C ATOM 48142 O2* C B2292 -807.739 -39.503 8.443 1.00848.95 O ATOM 48143 C1* C B2292 -806.713 -39.990 10.566 1.00848.95 C ATOM 48144 N1 C B2292 -806.717 -41.194 11.411 1.00848.95 N ATOM 48145 C2 C B2292 -806.284 -42.407 10.866 1.00848.95 C ATOM 48146 O2 C B2292 -805.917 -42.435 9.682 1.00848.95 O ATOM 48147 N3 C B2292 -806.274 -43.517 11.641 1.00848.95 N ATOM 48148 C4 C B2292 -806.675 -43.443 12.911 1.00848.95 C ATOM 48149 N4 C B2292 -806.642 -44.563 13.640 1.00848.95 N ATOM 48150 C5 C B2292 -807.128 -42.224 13.491 1.00848.95 C ATOM 48151 C6 C B2292 -807.130 -41.134 12.714 1.00848.95 C ATOM 48152 P G B2293 -810.850 -38.321 9.161 1.00848.95 P ATOM 48153 O1P G B2293 -811.512 -37.196 8.455 1.00848.95 O ATOM 48154 O2P G B2293 -811.535 -38.984 10.296 1.00848.95 O ATOM 48155 O5* G B2293 -810.472 -39.429 8.080 1.00848.95 O ATOM 48156 C5* G B2293 -810.270 -39.068 6.720 1.00848.95 C ATOM 48157 C4* G B2293 -810.199 -40.296 5.842 1.00848.95 C ATOM 48158 O4* G B2293 -809.003 -41.064 6.127 1.00848.95 O ATOM 48159 C3* G B2293 -811.371 -41.254 6.054 1.00848.95 C ATOM 48160 O3* G B2293 -812.511 -40.936 5.272 1.00848.95 O ATOM 48161 C2* G B2293 -810.772 -42.594 5.644 1.00848.95 C ATOM 48162 O2* G B2293 -810.808 -42.803 4.248 1.00848.95 O ATOM 48163 C1* G B2293 -809.316 -42.445 6.097 1.00848.95 C ATOM 48164 N9 G B2293 -809.086 -43.027 7.416 1.00848.95 N ATOM 48165 C8 G B2293 -809.538 -42.571 8.632 1.00848.95 C ATOM 48166 N7 G B2293 -809.190 -43.343 9.626 1.00848.95 N ATOM 48167 C5 G B2293 -808.460 -44.364 9.031 1.00848.95 C ATOM 48168 C6 G B2293 -807.828 -45.504 9.603 1.00848.95 C ATOM 48169 O6 G B2293 -807.792 -45.856 10.787 1.00848.95 O ATOM 48170 N1 G B2293 -807.194 -46.274 8.632 1.00848.95 N ATOM 48171 C2 G B2293 -807.171 -45.992 7.289 1.00848.95 C ATOM 48172 N2 G B2293 -806.503 -46.853 6.512 1.00848.95 N ATOM 48173 N3 G B2293 -807.760 -44.942 6.746 1.00848.95 N ATOM 48174 C4 G B2293 -808.381 -44.177 7.669 1.00848.95 C ATOM 48175 P U B2294 -813.982 -41.185 5.877 1.00848.95 P ATOM 48176 O1P U B2294 -814.915 -40.267 5.175 1.00848.95 O ATOM 48177 O2P U B2294 -813.886 -41.145 7.358 1.00848.95 O ATOM 48178 O5* U B2294 -814.333 -42.678 5.439 1.00848.95 O ATOM 48179 C5* U B2294 -813.918 -43.182 4.173 1.00848.95 C ATOM 48180 C4* U B2294 -813.581 -44.652 4.274 1.00848.95 C ATOM 48181 O4* U B2294 -812.569 -44.853 5.292 1.00848.95 O ATOM 48182 C3* U B2294 -814.745 -45.541 4.686 1.00848.95 C ATOM 48183 O3* U B2294 -815.518 -45.966 3.572 1.00848.95 O ATOM 48184 C2* U B2294 -814.053 -46.716 5.366 1.00848.95 C ATOM 48185 O2* U B2294 -813.615 -47.695 4.442 1.00848.95 O ATOM 48186 C1* U B2294 -812.839 -46.043 6.010 1.00848.95 C ATOM 48187 N1 U B2294 -813.054 -45.699 7.422 1.00848.95 N ATOM 48188 C2 U B2294 -812.296 -46.367 8.362 1.00848.95 C ATOM 48189 O2 U B2294 -811.472 -47.217 8.064 1.00848.95 O ATOM 48190 N3 U B2294 -812.536 -46.007 9.663 1.00848.95 N ATOM 48191 C4 U B2294 -813.440 -45.065 10.112 1.00848.95 C ATOM 48192 O4 U B2294 -813.538 -44.849 11.322 1.00848.95 O ATOM 48193 C5 U B2294 -814.189 -44.421 9.079 1.00848.95 C ATOM 48194 C6 U B2294 -813.976 -44.752 7.801 1.00848.95 C ATOM 48195 P C B2295 -817.109 -45.738 3.573 1.00848.95 P ATOM 48196 O1P C B2295 -817.430 -44.822 2.449 1.00848.95 O ATOM 48197 O2P C B2295 -817.524 -45.379 4.955 1.00848.95 O ATOM 48198 O5* C B2295 -817.710 -47.173 3.230 1.00848.95 O ATOM 48199 C5* C B2295 -818.968 -47.575 3.762 1.00848.95 C ATOM 48200 C4* C B2295 -818.889 -48.980 4.312 1.00848.95 C ATOM 48201 O4* C B2295 -817.571 -49.196 4.885 1.00848.95 O ATOM 48202 C3* C B2295 -819.847 -49.240 5.447 1.00848.95 C ATOM 48203 O3* C B2295 -821.125 -49.615 4.947 1.00848.95 O ATOM 48204 C2* C B2295 -819.153 -50.342 6.237 1.00848.95 C ATOM 48205 O2* C B2295 -819.366 -51.629 5.689 1.00848.95 O ATOM 48206 C1* C B2295 -817.683 -49.946 6.084 1.00848.95 C ATOM 48207 N1 C B2295 -817.247 -49.069 7.181 1.00848.95 N ATOM 48208 C2 C B2295 -817.022 -49.618 8.449 1.00848.95 C ATOM 48209 O2 C B2295 -817.169 -50.834 8.617 1.00848.95 O ATOM 48210 N3 C B2295 -816.645 -48.800 9.458 1.00848.95 N ATOM 48211 C4 C B2295 -816.494 -47.489 9.237 1.00848.95 C ATOM 48212 N4 C B2295 -816.135 -46.717 10.264 1.00848.95 N ATOM 48213 C5 C B2295 -816.708 -46.911 7.954 1.00848.95 C ATOM 48214 C6 C B2295 -817.076 -47.732 6.967 1.00848.95 C ATOM 48215 P U B2296 -822.447 -49.148 5.732 1.00848.95 P ATOM 48216 O1P U B2296 -823.598 -49.298 4.807 1.00848.95 O ATOM 48217 O2P U B2296 -822.169 -47.825 6.347 1.00848.95 O ATOM 48218 O5* U B2296 -822.599 -50.216 6.906 1.00848.95 O ATOM 48219 C5* U B2296 -822.319 -51.595 6.672 1.00848.95 C ATOM 48220 C4* U B2296 -821.901 -52.272 7.956 1.00848.95 C ATOM 48221 O4* U B2296 -820.587 -51.801 8.343 1.00848.95 O ATOM 48222 C3* U B2296 -822.822 -51.908 9.107 1.00848.95 C ATOM 48223 O3* U B2296 -823.914 -52.820 9.206 1.00848.95 O ATOM 48224 C2* U B2296 -821.906 -52.015 10.322 1.00848.95 C ATOM 48225 O2* U B2296 -821.807 -53.339 10.808 1.00848.95 O ATOM 48226 C1* U B2296 -820.554 -51.594 9.746 1.00848.95 C ATOM 48227 N1 U B2296 -820.202 -50.193 10.015 1.00848.95 N ATOM 48228 C2 U B2296 -819.441 -49.938 11.137 1.00848.95 C ATOM 48229 O2 U B2296 -819.062 -50.817 11.892 1.00848.95 O ATOM 48230 N3 U B2296 -819.135 -48.615 11.346 1.00848.95 N ATOM 48231 C4 U B2296 -819.510 -47.542 10.562 1.00848.95 C ATOM 48232 O4 U B2296 -819.167 -46.404 10.890 1.00848.95 O ATOM 48233 C5 U B2296 -820.297 -47.888 9.417 1.00848.95 C ATOM 48234 C6 U B2296 -820.611 -49.169 9.188 1.00848.95 C ATOM 48235 P G B2297 -825.384 -52.275 9.567 1.00848.95 P ATOM 48236 O1P G B2297 -826.231 -53.462 9.857 1.00848.95 O ATOM 48237 O2P G B2297 -825.795 -51.327 8.501 1.00848.95 O ATOM 48238 O5* G B2297 -825.195 -51.458 10.924 1.00848.95 O ATOM 48239 C5* G B2297 -824.750 -52.101 12.118 1.00848.95 C ATOM 48240 C4* G B2297 -824.861 -51.153 13.293 1.00848.95 C ATOM 48241 O4* G B2297 -823.686 -50.304 13.302 1.00848.95 O ATOM 48242 C3* G B2297 -826.028 -50.187 13.135 1.00848.95 C ATOM 48243 O3* G B2297 -827.241 -50.722 13.670 1.00848.95 O ATOM 48244 C2* G B2297 -825.564 -48.962 13.914 1.00848.95 C ATOM 48245 O2* G B2297 -825.825 -49.066 15.300 1.00848.95 O ATOM 48246 C1* G B2297 -824.050 -48.987 13.672 1.00848.95 C ATOM 48247 N9 G B2297 -823.619 -48.081 12.613 1.00848.95 N ATOM 48248 C8 G B2297 -823.955 -48.145 11.283 1.00848.95 C ATOM 48249 N7 G B2297 -823.423 -47.186 10.573 1.00848.95 N ATOM 48250 C5 G B2297 -822.690 -46.447 11.493 1.00848.95 C ATOM 48251 C6 G B2297 -821.900 -45.284 11.313 1.00848.95 C ATOM 48252 O6 G B2297 -821.680 -44.654 10.270 1.00848.95 O ATOM 48253 N1 G B2297 -821.335 -44.861 12.512 1.00848.95 N ATOM 48254 C2 G B2297 -821.504 -45.481 13.728 1.00848.95 C ATOM 48255 N2 G B2297 -820.879 -44.920 14.771 1.00848.95 N ATOM 48256 N3 G B2297 -822.234 -46.570 13.909 1.00848.95 N ATOM 48257 C4 G B2297 -822.798 -46.991 12.756 1.00848.95 C ATOM 48258 P U B2298 -828.234 -51.559 12.716 1.00848.95 P ATOM 48259 O1P U B2298 -827.665 -52.921 12.560 1.00848.95 O ATOM 48260 O2P U B2298 -828.506 -50.736 11.513 1.00848.95 O ATOM 48261 O5* U B2298 -829.596 -51.690 13.538 1.00848.95 O ATOM 48262 C5* U B2298 -829.636 -51.653 14.967 1.00848.95 C ATOM 48263 C4* U B2298 -831.015 -51.225 15.433 1.00848.95 C ATOM 48264 O4* U B2298 -831.997 -52.168 14.931 1.00848.95 O ATOM 48265 C3* U B2298 -831.208 -51.261 16.927 1.00848.95 C ATOM 48266 O3* U B2298 -830.820 -50.014 17.477 1.00848.95 O ATOM 48267 C2* U B2298 -832.714 -51.449 17.081 1.00848.95 C ATOM 48268 O2* U B2298 -833.422 -50.228 16.989 1.00848.95 O ATOM 48269 C1* U B2298 -833.042 -52.328 15.876 1.00848.95 C ATOM 48270 N1 U B2298 -833.094 -53.741 16.275 1.00848.95 N ATOM 48271 C2 U B2298 -834.274 -54.206 16.824 1.00848.95 C ATOM 48272 O2 U B2298 -835.272 -53.512 16.937 1.00848.95 O ATOM 48273 N3 U B2298 -834.242 -55.515 17.233 1.00848.95 N ATOM 48274 C4 U B2298 -833.172 -56.386 17.144 1.00848.95 C ATOM 48275 O4 U B2298 -833.265 -57.505 17.642 1.00848.95 O ATOM 48276 C5 U B2298 -832.004 -55.831 16.541 1.00848.95 C ATOM 48277 C6 U B2298 -832.005 -54.561 16.134 1.00848.95 C ATOM 48278 P A B2299 -829.481 -49.917 18.352 1.00848.95 P ATOM 48279 O1P A B2299 -828.416 -50.666 17.639 1.00848.95 O ATOM 48280 O2P A B2299 -829.803 -50.265 19.763 1.00848.95 O ATOM 48281 O5* A B2299 -829.136 -48.367 18.278 1.00848.95 O ATOM 48282 C5* A B2299 -827.951 -47.850 18.859 1.00848.95 C ATOM 48283 C4* A B2299 -827.685 -46.457 18.350 1.00848.95 C ATOM 48284 O4* A B2299 -827.313 -46.519 16.948 1.00848.95 O ATOM 48285 C3* A B2299 -828.897 -45.558 18.414 1.00848.95 C ATOM 48286 O3* A B2299 -828.906 -44.874 19.666 1.00848.95 O ATOM 48287 C2* A B2299 -828.677 -44.582 17.263 1.00848.95 C ATOM 48288 O2* A B2299 -827.862 -43.489 17.634 1.00848.95 O ATOM 48289 C1* A B2299 -827.916 -45.445 16.252 1.00848.95 C ATOM 48290 N9 A B2299 -828.736 -45.986 15.165 1.00848.95 N ATOM 48291 C8 A B2299 -830.069 -46.315 15.194 1.00848.95 C ATOM 48292 N7 A B2299 -830.518 -46.807 14.061 1.00848.95 N ATOM 48293 C5 A B2299 -829.407 -46.792 13.230 1.00848.95 C ATOM 48294 C6 A B2299 -829.219 -47.188 11.894 1.00848.95 C ATOM 48295 N6 A B2299 -830.186 -47.702 11.128 1.00848.95 N ATOM 48296 N1 A B2299 -827.984 -47.039 11.363 1.00848.95 N ATOM 48297 C2 A B2299 -827.015 -46.529 12.129 1.00848.95 C ATOM 48298 N3 A B2299 -827.067 -46.125 13.395 1.00848.95 N ATOM 48299 C4 A B2299 -828.304 -46.284 13.894 1.00848.95 C ATOM 48300 P G B2300 -829.454 -45.612 20.985 1.00848.95 P ATOM 48301 O1P G B2300 -830.564 -46.510 20.574 1.00848.95 O ATOM 48302 O2P G B2300 -829.693 -44.576 22.022 1.00848.95 O ATOM 48303 O5* G B2300 -828.227 -46.514 21.465 1.00848.95 O ATOM 48304 C5* G B2300 -828.388 -47.473 22.508 1.00848.95 C ATOM 48305 C4* G B2300 -827.139 -48.316 22.652 1.00848.95 C ATOM 48306 O4* G B2300 -826.919 -49.094 21.451 1.00848.95 O ATOM 48307 C3* G B2300 -825.810 -47.598 22.909 1.00848.95 C ATOM 48308 O3* G B2300 -825.614 -47.250 24.278 1.00848.95 O ATOM 48309 C2* G B2300 -824.780 -48.618 22.427 1.00848.95 C ATOM 48310 O2* G B2300 -824.460 -49.569 23.421 1.00848.95 O ATOM 48311 C1* G B2300 -825.531 -49.326 21.291 1.00848.95 C ATOM 48312 N9 G B2300 -825.156 -48.987 19.919 1.00848.95 N ATOM 48313 C8 G B2300 -825.251 -49.818 18.832 1.00848.95 C ATOM 48314 N7 G B2300 -824.886 -49.249 17.714 1.00848.95 N ATOM 48315 C5 G B2300 -824.514 -47.965 18.087 1.00848.95 C ATOM 48316 C6 G B2300 -824.050 -46.879 17.298 1.00848.95 C ATOM 48317 O6 G B2300 -823.865 -46.838 16.076 1.00848.95 O ATOM 48318 N1 G B2300 -823.800 -45.755 18.075 1.00848.95 N ATOM 48319 C2 G B2300 -823.975 -45.679 19.434 1.00848.95 C ATOM 48320 N2 G B2300 -823.678 -44.501 19.995 1.00848.95 N ATOM 48321 N3 G B2300 -824.412 -46.681 20.183 1.00848.95 N ATOM 48322 C4 G B2300 -824.661 -47.788 19.448 1.00848.95 C ATOM 48323 P A B2301 -824.561 -46.101 24.672 1.00848.95 P ATOM 48324 O1P A B2301 -823.288 -46.401 23.968 1.00848.95 O ATOM 48325 O2P A B2301 -824.567 -45.955 26.149 1.00848.95 O ATOM 48326 O5* A B2301 -825.178 -44.779 24.035 1.00848.95 O ATOM 48327 C5* A B2301 -824.992 -43.512 24.660 1.00848.95 C ATOM 48328 C4* A B2301 -823.955 -42.712 23.911 1.00848.95 C ATOM 48329 O4* A B2301 -824.273 -42.696 22.499 1.00848.95 O ATOM 48330 C3* A B2301 -823.882 -41.251 24.342 1.00848.95 C ATOM 48331 O3* A B2301 -822.989 -41.077 25.439 1.00848.95 O ATOM 48332 C2* A B2301 -823.393 -40.551 23.078 1.00848.95 C ATOM 48333 O2* A B2301 -821.987 -40.590 22.945 1.00848.95 O ATOM 48334 C1* A B2301 -824.029 -41.405 21.974 1.00848.95 C ATOM 48335 N9 A B2301 -825.289 -40.877 21.449 1.00848.95 N ATOM 48336 C8 A B2301 -826.549 -41.411 21.569 1.00848.95 C ATOM 48337 N7 A B2301 -827.481 -40.712 20.964 1.00848.95 N ATOM 48338 C5 A B2301 -826.787 -39.642 20.411 1.00848.95 C ATOM 48339 C6 A B2301 -827.198 -38.534 19.638 1.00848.95 C ATOM 48340 N6 A B2301 -828.460 -38.309 19.263 1.00848.95 N ATOM 48341 N1 A B2301 -826.253 -37.654 19.252 1.00848.95 N ATOM 48342 C2 A B2301 -824.985 -37.871 19.620 1.00848.95 C ATOM 48343 N3 A B2301 -824.476 -38.867 20.344 1.00848.95 N ATOM 48344 C4 A B2301 -825.439 -39.727 20.708 1.00848.95 C ATOM 48345 P G B2302 -823.570 -40.731 26.898 1.00848.95 P ATOM 48346 O1P G B2302 -822.479 -40.960 27.878 1.00848.95 O ATOM 48347 O2P G B2302 -824.867 -41.440 27.061 1.00848.95 O ATOM 48348 O5* G B2302 -823.863 -39.167 26.839 1.00848.95 O ATOM 48349 C5* G B2302 -822.943 -38.270 26.222 1.00848.95 C ATOM 48350 C4* G B2302 -823.676 -37.325 25.303 1.00848.95 C ATOM 48351 O4* G B2302 -824.334 -38.090 24.261 1.00848.95 O ATOM 48352 C3* G B2302 -824.794 -36.546 25.955 1.00848.95 C ATOM 48353 O3* G B2302 -824.272 -35.379 26.579 1.00848.95 O ATOM 48354 C2* G B2302 -825.719 -36.231 24.787 1.00848.95 C ATOM 48355 O2* G B2302 -825.287 -35.109 24.045 1.00848.95 O ATOM 48356 C1* G B2302 -825.582 -37.497 23.938 1.00848.95 C ATOM 48357 N9 G B2302 -826.627 -38.470 24.241 1.00848.95 N ATOM 48358 C8 G B2302 -826.577 -39.449 25.199 1.00848.95 C ATOM 48359 N7 G B2302 -827.665 -40.168 25.259 1.00848.95 N ATOM 48360 C5 G B2302 -828.486 -39.635 24.279 1.00848.95 C ATOM 48361 C6 G B2302 -829.802 -40.004 23.876 1.00848.95 C ATOM 48362 O6 G B2302 -830.526 -40.904 24.336 1.00848.95 O ATOM 48363 N1 G B2302 -830.262 -39.208 22.837 1.00848.95 N ATOM 48364 C2 G B2302 -829.557 -38.169 22.265 1.00848.95 C ATOM 48365 N2 G B2302 -830.174 -37.500 21.284 1.00848.95 N ATOM 48366 N3 G B2302 -828.334 -37.812 22.634 1.00848.95 N ATOM 48367 C4 G B2302 -827.863 -38.583 23.635 1.00848.95 C ATOM 48368 P C B2303 -824.993 -34.796 27.893 1.00848.95 P ATOM 48369 O1P C B2303 -824.124 -33.724 28.438 1.00848.95 O ATOM 48370 O2P C B2303 -825.379 -35.940 28.758 1.00848.95 O ATOM 48371 O5* C B2303 -826.325 -34.118 27.335 1.00848.95 O ATOM 48372 C5* C B2303 -826.255 -33.083 26.363 1.00848.95 C ATOM 48373 C4* C B2303 -827.631 -32.740 25.839 1.00848.95 C ATOM 48374 O4* C B2303 -828.152 -33.834 25.044 1.00848.95 O ATOM 48375 C3* C B2303 -828.678 -32.465 26.900 1.00848.95 C ATOM 48376 O3* C B2303 -828.636 -31.097 27.287 1.00848.95 O ATOM 48377 C2* C B2303 -829.981 -32.784 26.171 1.00848.95 C ATOM 48378 O2* C B2303 -830.462 -31.690 25.415 1.00848.95 O ATOM 48379 C1* C B2303 -829.554 -33.899 25.211 1.00848.95 C ATOM 48380 N1 C B2303 -829.943 -35.258 25.626 1.00848.95 N ATOM 48381 C2 C B2303 -831.217 -35.711 25.282 1.00848.95 C ATOM 48382 O2 C B2303 -831.965 -34.955 24.647 1.00848.95 O ATOM 48383 N3 C B2303 -831.602 -36.952 25.649 1.00848.95 N ATOM 48384 C4 C B2303 -830.766 -37.735 26.333 1.00848.95 C ATOM 48385 N4 C B2303 -831.193 -38.956 26.670 1.00848.95 N ATOM 48386 C5 C B2303 -829.458 -37.299 26.702 1.00848.95 C ATOM 48387 C6 C B2303 -829.090 -36.062 26.331 1.00848.95 C ATOM 48388 P G B2304 -829.274 -30.640 28.692 1.00848.95 P ATOM 48389 O1P G B2304 -830.734 -30.920 28.631 1.00848.95 O ATOM 48390 O2P G B2304 -828.808 -29.261 28.982 1.00848.95 O ATOM 48391 O5* G B2304 -828.630 -31.626 29.761 1.00848.95 O ATOM 48392 C5* G B2304 -827.224 -31.872 29.782 1.00848.95 C ATOM 48393 C4* G B2304 -826.641 -31.415 31.094 1.00848.95 C ATOM 48394 O4* G B2304 -827.012 -30.034 31.332 1.00848.95 O ATOM 48395 C3* G B2304 -827.114 -32.149 32.326 1.00848.95 C ATOM 48396 O3* G B2304 -826.336 -33.330 32.488 1.00848.95 O ATOM 48397 C2* G B2304 -826.891 -31.133 33.441 1.00848.95 C ATOM 48398 O2* G B2304 -825.558 -31.123 33.908 1.00848.95 O ATOM 48399 C1* G B2304 -827.195 -29.817 32.720 1.00848.95 C ATOM 48400 N9 G B2304 -828.574 -29.382 32.920 1.00848.95 N ATOM 48401 C8 G B2304 -829.620 -29.545 32.045 1.00848.95 C ATOM 48402 N7 G B2304 -830.745 -29.072 32.496 1.00848.95 N ATOM 48403 C5 G B2304 -830.429 -28.561 33.746 1.00848.95 C ATOM 48404 C6 G B2304 -831.249 -27.922 34.711 1.00848.95 C ATOM 48405 O6 G B2304 -832.459 -27.674 34.656 1.00848.95 O ATOM 48406 N1 G B2304 -830.521 -27.560 35.840 1.00848.95 N ATOM 48407 C2 G B2304 -829.176 -27.783 36.019 1.00848.95 C ATOM 48408 N2 G B2304 -828.658 -27.355 37.179 1.00848.95 N ATOM 48409 N3 G B2304 -828.402 -28.379 35.128 1.00848.95 N ATOM 48410 C4 G B2304 -829.088 -28.740 34.023 1.00848.95 C ATOM 48411 P C B2305 -827.030 -34.669 33.046 1.00848.95 P ATOM 48412 O1P C B2305 -826.234 -35.821 32.558 1.00848.95 O ATOM 48413 O2P C B2305 -828.480 -34.596 32.744 1.00848.95 O ATOM 48414 O5* C B2305 -826.847 -34.576 34.629 1.00848.95 O ATOM 48415 C5* C B2305 -825.918 -35.415 35.308 1.00848.95 C ATOM 48416 C4* C B2305 -826.334 -35.591 36.751 1.00848.95 C ATOM 48417 O4* C B2305 -826.349 -34.297 37.403 1.00848.95 O ATOM 48418 C3* C B2305 -827.726 -36.163 37.007 1.00848.95 C ATOM 48419 O3* C B2305 -827.764 -37.585 36.964 1.00848.95 O ATOM 48420 C2* C B2305 -828.055 -35.631 38.396 1.00848.95 C ATOM 48421 O2* C B2305 -827.495 -36.418 39.429 1.00848.95 O ATOM 48422 C1* C B2305 -827.379 -34.258 38.371 1.00848.95 C ATOM 48423 N1 C B2305 -828.301 -33.165 38.021 1.00848.95 N ATOM 48424 C2 C B2305 -828.948 -32.477 39.047 1.00848.95 C ATOM 48425 O2 C B2305 -828.719 -32.801 40.220 1.00848.95 O ATOM 48426 N3 C B2305 -829.806 -31.477 38.736 1.00848.95 N ATOM 48427 C4 C B2305 -830.022 -31.158 37.458 1.00848.95 C ATOM 48428 N4 C B2305 -830.878 -30.168 37.198 1.00848.95 N ATOM 48429 C5 C B2305 -829.372 -31.841 36.391 1.00848.95 C ATOM 48430 C6 C B2305 -828.528 -32.828 36.715 1.00848.95 C ATOM 48431 P A B2306 -829.099 -38.326 36.465 1.00848.95 P ATOM 48432 O1P A B2306 -828.679 -39.457 35.597 1.00848.95 O ATOM 48433 O2P A B2306 -830.033 -37.302 35.932 1.00848.95 O ATOM 48434 O5* A B2306 -829.730 -38.938 37.797 1.00848.95 O ATOM 48435 C5* A B2306 -829.031 -39.941 38.529 1.00848.95 C ATOM 48436 C4* A B2306 -830.007 -40.837 39.256 1.00848.95 C ATOM 48437 O4* A B2306 -830.857 -40.070 40.140 1.00848.95 O ATOM 48438 C3* A B2306 -830.962 -41.642 38.397 1.00848.95 C ATOM 48439 O3* A B2306 -830.315 -42.816 37.919 1.00848.95 O ATOM 48440 C2* A B2306 -832.103 -41.951 39.362 1.00848.95 C ATOM 48441 O2* A B2306 -831.836 -43.085 40.164 1.00848.95 O ATOM 48442 C1* A B2306 -832.120 -40.699 40.246 1.00848.95 C ATOM 48443 N9 A B2306 -833.150 -39.729 39.876 1.00848.95 N ATOM 48444 C8 A B2306 -833.009 -38.596 39.115 1.00848.95 C ATOM 48445 N7 A B2306 -834.123 -37.919 38.968 1.00848.95 N ATOM 48446 C5 A B2306 -835.059 -38.653 39.680 1.00848.95 C ATOM 48447 C6 A B2306 -836.431 -38.462 39.918 1.00848.95 C ATOM 48448 N6 A B2306 -837.128 -37.427 39.444 1.00848.95 N ATOM 48449 N1 A B2306 -837.073 -39.383 40.667 1.00848.95 N ATOM 48450 C2 A B2306 -836.376 -40.421 41.143 1.00848.95 C ATOM 48451 N3 A B2306 -835.084 -40.709 40.993 1.00848.95 N ATOM 48452 C4 A B2306 -834.474 -39.775 40.241 1.00848.95 C ATOM 48453 P A B2307 -830.848 -43.529 36.582 1.00848.95 P ATOM 48454 O1P A B2307 -830.333 -44.920 36.579 1.00848.95 O ATOM 48455 O2P A B2307 -830.559 -42.636 35.432 1.00848.95 O ATOM 48456 O5* A B2307 -832.428 -43.584 36.780 1.00848.95 O ATOM 48457 C5* A B2307 -833.039 -44.657 37.494 1.00848.95 C ATOM 48458 C4* A B2307 -834.539 -44.492 37.490 1.00848.95 C ATOM 48459 O4* A B2307 -834.878 -43.256 38.174 1.00848.95 O ATOM 48460 C3* A B2307 -835.147 -44.334 36.102 1.00848.95 C ATOM 48461 O3* A B2307 -835.398 -45.567 35.446 1.00848.95 O ATOM 48462 C2* A B2307 -836.422 -43.548 36.389 1.00848.95 C ATOM 48463 O2* A B2307 -837.477 -44.377 36.828 1.00848.95 O ATOM 48464 C1* A B2307 -835.974 -42.635 37.529 1.00848.95 C ATOM 48465 N9 A B2307 -835.526 -41.321 37.063 1.00848.95 N ATOM 48466 C8 A B2307 -834.236 -40.942 36.779 1.00848.95 C ATOM 48467 N7 A B2307 -834.126 -39.698 36.383 1.00848.95 N ATOM 48468 C5 A B2307 -835.431 -39.228 36.399 1.00848.95 C ATOM 48469 C6 A B2307 -835.988 -37.978 36.081 1.00848.95 C ATOM 48470 N6 A B2307 -835.269 -36.927 35.668 1.00848.95 N ATOM 48471 N1 A B2307 -837.324 -37.836 36.204 1.00848.95 N ATOM 48472 C2 A B2307 -838.044 -38.886 36.620 1.00848.95 C ATOM 48473 N3 A B2307 -837.637 -40.110 36.951 1.00848.95 N ATOM 48474 C4 A B2307 -836.304 -40.217 36.817 1.00848.95 C ATOM 48475 P A B2308 -834.990 -45.745 33.901 1.00848.95 P ATOM 48476 O1P A B2308 -834.294 -47.051 33.775 1.00848.95 O ATOM 48477 O2P A B2308 -834.309 -44.504 33.450 1.00848.95 O ATOM 48478 O5* A B2308 -836.390 -45.855 33.143 1.00848.95 O ATOM 48479 C5* A B2308 -837.425 -46.691 33.650 1.00848.95 C ATOM 48480 C4* A B2308 -838.752 -45.961 33.639 1.00848.95 C ATOM 48481 O4* A B2308 -838.675 -44.775 34.474 1.00848.95 O ATOM 48482 C3* A B2308 -839.199 -45.463 32.268 1.00848.95 C ATOM 48483 O3* A B2308 -839.895 -46.460 31.520 1.00848.95 O ATOM 48484 C2* A B2308 -840.096 -44.283 32.626 1.00848.95 C ATOM 48485 O2* A B2308 -841.412 -44.679 32.951 1.00848.95 O ATOM 48486 C1* A B2308 -839.410 -43.722 33.873 1.00848.95 C ATOM 48487 N9 A B2308 -838.487 -42.621 33.589 1.00848.95 N ATOM 48488 C8 A B2308 -837.160 -42.708 33.258 1.00848.95 C ATOM 48489 N7 A B2308 -836.585 -41.548 33.060 1.00848.95 N ATOM 48490 C5 A B2308 -837.606 -40.630 33.273 1.00848.95 C ATOM 48491 C6 A B2308 -837.641 -39.226 33.213 1.00848.95 C ATOM 48492 N6 A B2308 -836.577 -38.476 32.917 1.00848.95 N ATOM 48493 N1 A B2308 -838.814 -38.610 33.474 1.00848.95 N ATOM 48494 C2 A B2308 -839.876 -39.371 33.775 1.00848.95 C ATOM 48495 N3 A B2308 -839.970 -40.698 33.864 1.00848.95 N ATOM 48496 C4 A B2308 -838.783 -41.276 33.597 1.00848.95 C ATOM 48497 P G B2309 -839.560 -46.664 29.960 1.00848.95 P ATOM 48498 O1P G B2309 -840.259 -47.897 29.519 1.00848.95 O ATOM 48499 O2P G B2309 -838.093 -46.547 29.774 1.00848.95 O ATOM 48500 O5* G B2309 -840.257 -45.421 29.248 1.00848.95 O ATOM 48501 C5* G B2309 -841.670 -45.378 29.062 1.00848.95 C ATOM 48502 C4* G B2309 -842.103 -43.990 28.662 1.00848.95 C ATOM 48503 O4* G B2309 -841.702 -43.048 29.692 1.00848.95 O ATOM 48504 C3* G B2309 -841.525 -43.408 27.375 1.00848.95 C ATOM 48505 O3* G B2309 -842.187 -43.854 26.201 1.00848.95 O ATOM 48506 C2* G B2309 -841.671 -41.905 27.599 1.00848.95 C ATOM 48507 O2* G B2309 -842.965 -41.435 27.287 1.00848.95 O ATOM 48508 C1* G B2309 -841.434 -41.787 29.106 1.00848.95 C ATOM 48509 N9 G B2309 -840.071 -41.404 29.454 1.00848.95 N ATOM 48510 C8 G B2309 -839.164 -42.138 30.184 1.00848.95 C ATOM 48511 N7 G B2309 -838.026 -41.530 30.353 1.00848.95 N ATOM 48512 C5 G B2309 -838.183 -40.319 29.690 1.00848.95 C ATOM 48513 C6 G B2309 -837.283 -39.237 29.526 1.00848.95 C ATOM 48514 O6 G B2309 -836.127 -39.119 29.952 1.00848.95 O ATOM 48515 N1 G B2309 -837.850 -38.212 28.775 1.00848.95 N ATOM 48516 C2 G B2309 -839.121 -38.225 28.252 1.00848.95 C ATOM 48517 N2 G B2309 -839.485 -37.145 27.551 1.00848.95 N ATOM 48518 N3 G B2309 -839.970 -39.225 28.403 1.00848.95 N ATOM 48519 C4 G B2309 -839.441 -40.232 29.126 1.00848.95 C ATOM 48520 P G B2310 -841.415 -43.832 24.788 1.00848.95 P ATOM 48521 O1P G B2310 -842.386 -44.227 23.738 1.00848.95 O ATOM 48522 O2P G B2310 -840.152 -44.596 24.946 1.00848.95 O ATOM 48523 O5* G B2310 -841.043 -42.300 24.575 1.00848.95 O ATOM 48524 C5* G B2310 -842.050 -41.320 24.346 1.00848.95 C ATOM 48525 C4* G B2310 -841.409 -39.985 24.066 1.00848.95 C ATOM 48526 O4* G B2310 -840.626 -39.570 25.209 1.00848.95 O ATOM 48527 C3* G B2310 -840.426 -39.904 22.894 1.00848.95 C ATOM 48528 O3* G B2310 -841.088 -39.736 21.652 1.00848.95 O ATOM 48529 C2* G B2310 -839.564 -38.701 23.250 1.00848.95 C ATOM 48530 O2* G B2310 -840.096 -37.472 22.812 1.00848.95 O ATOM 48531 C1* G B2310 -839.556 -38.749 24.779 1.00848.95 C ATOM 48532 N9 G B2310 -838.320 -39.283 25.332 1.00848.95 N ATOM 48533 C8 G B2310 -838.142 -40.479 25.978 1.00848.95 C ATOM 48534 N7 G B2310 -836.908 -40.673 26.366 1.00848.95 N ATOM 48535 C5 G B2310 -836.237 -39.534 25.947 1.00848.95 C ATOM 48536 C6 G B2310 -834.872 -39.166 26.084 1.00848.95 C ATOM 48537 O6 G B2310 -833.952 -39.795 26.624 1.00848.95 O ATOM 48538 N1 G B2310 -834.620 -37.923 25.513 1.00848.95 N ATOM 48539 C2 G B2310 -835.555 -37.134 24.891 1.00848.95 C ATOM 48540 N2 G B2310 -835.121 -35.966 24.400 1.00848.95 N ATOM 48541 N3 G B2310 -836.827 -37.463 24.760 1.00848.95 N ATOM 48542 C4 G B2310 -837.095 -38.666 25.306 1.00848.95 C ATOM 48543 P U B2311 -840.426 -40.305 20.310 1.00848.95 P ATOM 48544 O1P U B2311 -841.224 -39.696 19.219 1.00848.95 O ATOM 48545 O2P U B2311 -840.297 -41.781 20.402 1.00848.95 O ATOM 48546 O5* U B2311 -838.979 -39.649 20.267 1.00848.95 O ATOM 48547 C5* U B2311 -838.831 -38.241 20.126 1.00848.95 C ATOM 48548 C4* U B2311 -837.377 -37.855 20.182 1.00848.95 C ATOM 48549 O4* U B2311 -836.876 -38.049 21.525 1.00848.95 O ATOM 48550 C3* U B2311 -836.433 -38.654 19.281 1.00848.95 C ATOM 48551 O3* U B2311 -836.376 -38.140 17.957 1.00848.95 O ATOM 48552 C2* U B2311 -835.093 -38.464 19.987 1.00848.95 C ATOM 48553 O2* U B2311 -834.461 -37.253 19.635 1.00848.95 O ATOM 48554 C1* U B2311 -835.504 -38.374 21.458 1.00848.95 C ATOM 48555 N1 U B2311 -835.243 -39.573 22.262 1.00848.95 N ATOM 48556 C2 U B2311 -833.980 -39.686 22.807 1.00848.95 C ATOM 48557 O2 U B2311 -833.107 -38.860 22.608 1.00848.95 O ATOM 48558 N3 U B2311 -833.775 -40.799 23.579 1.00848.95 N ATOM 48559 C4 U B2311 -834.696 -41.808 23.838 1.00848.95 C ATOM 48560 O4 U B2311 -834.366 -42.771 24.530 1.00848.95 O ATOM 48561 C5 U B2311 -835.980 -41.619 23.225 1.00848.95 C ATOM 48562 C6 U B2311 -836.205 -40.533 22.479 1.00848.95 C ATOM 48563 P A B2312 -837.312 -38.763 16.808 1.00848.95 P ATOM 48564 O1P A B2312 -838.682 -38.225 17.007 1.00848.95 O ATOM 48565 O2P A B2312 -837.097 -40.227 16.750 1.00848.95 O ATOM 48566 O5* A B2312 -836.716 -38.108 15.482 1.00848.95 O ATOM 48567 C5* A B2312 -836.984 -36.746 15.177 1.00848.95 C ATOM 48568 C4* A B2312 -835.999 -36.227 14.159 1.00848.95 C ATOM 48569 O4* A B2312 -834.655 -36.208 14.717 1.00848.95 O ATOM 48570 C3* A B2312 -835.822 -37.026 12.885 1.00848.95 C ATOM 48571 O3* A B2312 -836.879 -36.728 11.982 1.00848.95 O ATOM 48572 C2* A B2312 -834.465 -36.557 12.371 1.00848.95 C ATOM 48573 O2* A B2312 -834.540 -35.346 11.644 1.00848.95 O ATOM 48574 C1* A B2312 -833.702 -36.318 13.675 1.00848.95 C ATOM 48575 N9 A B2312 -832.786 -37.413 13.986 1.00848.95 N ATOM 48576 C8 A B2312 -833.087 -38.654 14.488 1.00848.95 C ATOM 48577 N7 A B2312 -832.039 -39.425 14.661 1.00848.95 N ATOM 48578 C5 A B2312 -830.975 -38.637 14.247 1.00848.95 C ATOM 48579 C6 A B2312 -829.590 -38.874 14.179 1.00848.95 C ATOM 48580 N6 A B2312 -829.017 -40.021 14.545 1.00848.95 N ATOM 48581 N1 A B2312 -828.803 -37.878 13.716 1.00848.95 N ATOM 48582 C2 A B2312 -829.378 -36.728 13.346 1.00848.95 C ATOM 48583 N3 A B2312 -830.664 -36.385 13.363 1.00848.95 N ATOM 48584 C4 A B2312 -831.419 -37.395 13.831 1.00848.95 C ATOM 48585 P G B2313 -836.820 -37.292 10.483 1.00848.95 P ATOM 48586 O1P G B2313 -838.212 -37.381 9.978 1.00848.95 O ATOM 48587 O2P G B2313 -835.954 -38.503 10.469 1.00848.95 O ATOM 48588 O5* G B2313 -836.073 -36.134 9.691 1.00848.95 O ATOM 48589 C5* G B2313 -836.756 -35.381 8.701 1.00848.95 C ATOM 48590 C4* G B2313 -837.283 -34.096 9.287 1.00848.95 C ATOM 48591 O4* G B2313 -838.629 -34.302 9.772 1.00848.95 O ATOM 48592 C3* G B2313 -836.538 -33.471 10.466 1.00848.95 C ATOM 48593 O3* G B2313 -835.390 -32.733 10.048 1.00848.95 O ATOM 48594 C2* G B2313 -837.614 -32.594 11.115 1.00848.95 C ATOM 48595 O2* G B2313 -837.691 -31.308 10.537 1.00848.95 O ATOM 48596 C1* G B2313 -838.903 -33.358 10.785 1.00848.95 C ATOM 48597 N9 G B2313 -839.603 -34.024 11.875 1.00848.95 N ATOM 48598 C8 G B2313 -839.133 -35.010 12.709 1.00848.95 C ATOM 48599 N7 G B2313 -840.010 -35.392 13.599 1.00848.95 N ATOM 48600 C5 G B2313 -841.129 -34.611 13.334 1.00848.95 C ATOM 48601 C6 G B2313 -842.400 -34.570 13.970 1.00848.95 C ATOM 48602 O6 G B2313 -842.805 -35.237 14.930 1.00848.95 O ATOM 48603 N1 G B2313 -843.237 -33.630 13.377 1.00848.95 N ATOM 48604 C2 G B2313 -842.901 -32.833 12.313 1.00848.95 C ATOM 48605 N2 G B2313 -843.848 -31.987 11.880 1.00848.95 N ATOM 48606 N3 G B2313 -841.724 -32.858 11.714 1.00848.95 N ATOM 48607 C4 G B2313 -840.892 -33.766 12.271 1.00848.95 C ATOM 48608 P A B2314 -834.336 -32.180 11.133 1.00848.95 P ATOM 48609 O1P A B2314 -834.143 -30.732 10.866 1.00848.95 O ATOM 48610 O2P A B2314 -833.163 -33.090 11.127 1.00848.95 O ATOM 48611 O5* A B2314 -835.077 -32.332 12.532 1.00848.95 O ATOM 48612 C5* A B2314 -834.774 -31.445 13.600 1.00848.95 C ATOM 48613 C4* A B2314 -834.977 -32.131 14.925 1.00848.95 C ATOM 48614 O4* A B2314 -834.409 -33.466 14.876 1.00848.95 O ATOM 48615 C3* A B2314 -834.279 -31.474 16.077 1.00848.95 C ATOM 48616 O3* A B2314 -835.113 -30.451 16.603 1.00848.95 O ATOM 48617 C2* A B2314 -834.102 -32.607 17.078 1.00848.95 C ATOM 48618 O2* A B2314 -835.260 -32.802 17.867 1.00848.95 O ATOM 48619 C1* A B2314 -833.906 -33.810 16.152 1.00848.95 C ATOM 48620 N9 A B2314 -832.495 -34.175 16.026 1.00848.95 N ATOM 48621 C8 A B2314 -831.600 -33.891 15.025 1.00848.95 C ATOM 48622 N7 A B2314 -830.395 -34.366 15.242 1.00848.95 N ATOM 48623 C5 A B2314 -830.507 -35.011 16.468 1.00848.95 C ATOM 48624 C6 A B2314 -829.582 -35.726 17.260 1.00848.95 C ATOM 48625 N6 A B2314 -828.305 -35.928 16.932 1.00848.95 N ATOM 48626 N1 A B2314 -830.027 -36.243 18.428 1.00848.95 N ATOM 48627 C2 A B2314 -831.307 -36.046 18.768 1.00848.95 C ATOM 48628 N3 A B2314 -832.263 -35.399 18.114 1.00848.95 N ATOM 48629 C4 A B2314 -831.793 -34.902 16.959 1.00848.95 C ATOM 48630 P A B2315 -834.505 -29.407 17.662 1.00848.95 P ATOM 48631 O1P A B2315 -835.001 -28.056 17.288 1.00848.95 O ATOM 48632 O2P A B2315 -833.044 -29.648 17.770 1.00848.95 O ATOM 48633 O5* A B2315 -835.182 -29.815 19.049 1.00848.95 O ATOM 48634 C5* A B2315 -835.422 -28.833 20.050 1.00848.95 C ATOM 48635 C4* A B2315 -835.619 -29.471 21.406 1.00848.95 C ATOM 48636 O4* A B2315 -836.767 -30.360 21.386 1.00848.95 O ATOM 48637 C3* A B2315 -834.465 -30.313 21.897 1.00848.95 C ATOM 48638 O3* A B2315 -833.578 -29.448 22.599 1.00848.95 O ATOM 48639 C2* A B2315 -835.135 -31.284 22.861 1.00848.95 C ATOM 48640 O2* A B2315 -835.314 -30.725 24.143 1.00848.95 O ATOM 48641 C1* A B2315 -836.502 -31.488 22.205 1.00848.95 C ATOM 48642 N9 A B2315 -836.537 -32.702 21.390 1.00848.95 N ATOM 48643 C8 A B2315 -836.015 -33.938 21.687 1.00848.95 C ATOM 48644 N7 A B2315 -836.251 -34.844 20.770 1.00848.95 N ATOM 48645 C5 A B2315 -836.973 -34.157 19.805 1.00848.95 C ATOM 48646 C6 A B2315 -837.532 -34.563 18.579 1.00848.95 C ATOM 48647 N6 A B2315 -837.454 -35.807 18.103 1.00848.95 N ATOM 48648 N1 A B2315 -838.184 -33.632 17.851 1.00848.95 N ATOM 48649 C2 A B2315 -838.269 -32.384 18.335 1.00848.95 C ATOM 48650 N3 A B2315 -837.793 -31.886 19.471 1.00848.95 N ATOM 48651 C4 A B2315 -837.148 -32.838 20.169 1.00848.95 C ATOM 48652 P G B2316 -832.270 -30.059 23.305 1.00848.95 P ATOM 48653 O1P G B2316 -832.715 -30.779 24.527 1.00848.95 O ATOM 48654 O2P G B2316 -831.256 -28.979 23.420 1.00848.95 O ATOM 48655 O5* G B2316 -831.735 -31.139 22.266 1.00848.95 O ATOM 48656 C5* G B2316 -831.395 -32.458 22.692 1.00848.95 C ATOM 48657 C4* G B2316 -830.103 -32.901 22.043 1.00848.95 C ATOM 48658 O4* G B2316 -830.374 -33.462 20.732 1.00848.95 O ATOM 48659 C3* G B2316 -828.998 -31.892 21.797 1.00848.95 C ATOM 48660 O3* G B2316 -828.246 -31.611 22.970 1.00848.95 O ATOM 48661 C2* G B2316 -828.164 -32.568 20.711 1.00848.95 C ATOM 48662 O2* G B2316 -827.246 -33.504 21.232 1.00848.95 O ATOM 48663 C1* G B2316 -829.241 -33.297 19.901 1.00848.95 C ATOM 48664 N9 G B2316 -829.656 -32.550 18.716 1.00848.95 N ATOM 48665 C8 G B2316 -830.844 -31.881 18.538 1.00848.95 C ATOM 48666 N7 G B2316 -830.933 -31.298 17.372 1.00848.95 N ATOM 48667 C5 G B2316 -829.734 -31.601 16.744 1.00848.95 C ATOM 48668 C6 G B2316 -829.256 -31.241 15.457 1.00848.95 C ATOM 48669 O6 G B2316 -829.815 -30.562 14.588 1.00848.95 O ATOM 48670 N1 G B2316 -827.984 -31.757 15.221 1.00848.95 N ATOM 48671 C2 G B2316 -827.267 -32.523 16.107 1.00848.95 C ATOM 48672 N2 G B2316 -826.058 -32.927 15.693 1.00848.95 N ATOM 48673 N3 G B2316 -827.700 -32.864 17.310 1.00848.95 N ATOM 48674 C4 G B2316 -828.933 -32.373 17.559 1.00848.95 C ATOM 48675 P G B2317 -827.402 -30.246 23.064 1.00848.95 P ATOM 48676 O1P G B2317 -826.665 -30.266 24.353 1.00848.95 O ATOM 48677 O2P G B2317 -828.309 -29.114 22.751 1.00848.95 O ATOM 48678 O5* G B2317 -826.338 -30.371 21.884 1.00848.95 O ATOM 48679 C5* G B2317 -825.070 -30.978 22.108 1.00848.95 C ATOM 48680 C4* G B2317 -824.119 -30.638 20.985 1.00848.95 C ATOM 48681 O4* G B2317 -824.608 -31.219 19.746 1.00848.95 O ATOM 48682 C3* G B2317 -823.872 -29.177 20.638 1.00848.95 C ATOM 48683 O3* G B2317 -822.938 -28.562 21.516 1.00848.95 O ATOM 48684 C2* G B2317 -823.353 -29.263 19.207 1.00848.95 C ATOM 48685 O2* G B2317 -821.976 -29.579 19.148 1.00848.95 O ATOM 48686 C1* G B2317 -824.174 -30.429 18.650 1.00848.95 C ATOM 48687 N9 G B2317 -825.347 -29.962 17.921 1.00848.95 N ATOM 48688 C8 G B2317 -826.622 -29.789 18.408 1.00848.95 C ATOM 48689 N7 G B2317 -827.453 -29.330 17.515 1.00848.95 N ATOM 48690 C5 G B2317 -826.686 -29.197 16.365 1.00848.95 C ATOM 48691 C6 G B2317 -827.034 -28.738 15.065 1.00848.95 C ATOM 48692 O6 G B2317 -828.135 -28.341 14.651 1.00848.95 O ATOM 48693 N1 G B2317 -825.945 -28.773 14.205 1.00848.95 N ATOM 48694 C2 G B2317 -824.680 -29.189 14.544 1.00848.95 C ATOM 48695 N2 G B2317 -823.759 -29.152 13.573 1.00848.95 N ATOM 48696 N3 G B2317 -824.341 -29.612 15.748 1.00848.95 N ATOM 48697 C4 G B2317 -825.385 -29.590 16.602 1.00848.95 C ATOM 48698 P U B2318 -822.912 -26.957 21.644 1.00848.95 P ATOM 48699 O1P U B2318 -821.893 -26.607 22.662 1.00848.95 O ATOM 48700 O2P U B2318 -824.309 -26.487 21.809 1.00848.95 O ATOM 48701 O5* U B2318 -822.388 -26.454 20.222 1.00848.95 O ATOM 48702 C5* U B2318 -821.063 -26.750 19.788 1.00848.95 C ATOM 48703 C4* U B2318 -820.902 -26.402 18.325 1.00848.95 C ATOM 48704 O4* U B2318 -821.875 -27.148 17.550 1.00848.95 O ATOM 48705 C3* U B2318 -821.179 -24.941 17.999 1.00848.95 C ATOM 48706 O3* U B2318 -820.005 -24.148 18.137 1.00848.95 O ATOM 48707 C2* U B2318 -821.640 -25.000 16.547 1.00848.95 C ATOM 48708 O2* U B2318 -820.563 -25.029 15.632 1.00848.95 O ATOM 48709 C1* U B2318 -822.380 -26.339 16.506 1.00848.95 C ATOM 48710 N1 U B2318 -823.834 -26.205 16.686 1.00848.95 N ATOM 48711 C2 U B2318 -824.604 -26.045 15.548 1.00848.95 C ATOM 48712 O2 U B2318 -824.129 -26.036 14.423 1.00848.95 O ATOM 48713 N3 U B2318 -825.952 -25.909 15.777 1.00848.95 N ATOM 48714 C4 U B2318 -826.592 -25.914 16.997 1.00848.95 C ATOM 48715 O4 U B2318 -827.814 -25.759 17.041 1.00848.95 O ATOM 48716 C5 U B2318 -825.727 -26.087 18.127 1.00848.95 C ATOM 48717 C6 U B2318 -824.409 -26.223 17.934 1.00848.95 C ATOM 48718 P G B2319 -820.053 -22.797 19.008 1.00848.95 P ATOM 48719 O1P G B2319 -818.650 -22.409 19.302 1.00848.95 O ATOM 48720 O2P G B2319 -821.007 -22.996 20.129 1.00848.95 O ATOM 48721 O5* G B2319 -820.666 -21.716 18.014 1.00848.95 O ATOM 48722 C5* G B2319 -819.891 -21.201 16.933 1.00848.95 C ATOM 48723 C4* G B2319 -820.783 -20.546 15.903 1.00848.95 C ATOM 48724 O4* G B2319 -821.693 -21.520 15.328 1.00848.95 O ATOM 48725 C3* G B2319 -821.717 -19.475 16.423 1.00848.95 C ATOM 48726 O3* G B2319 -821.010 -18.249 16.557 1.00848.95 O ATOM 48727 C2* G B2319 -822.816 -19.411 15.365 1.00848.95 C ATOM 48728 O2* G B2319 -822.480 -18.569 14.284 1.00848.95 O ATOM 48729 C1* G B2319 -822.862 -20.861 14.869 1.00848.95 C ATOM 48730 N9 G B2319 -824.023 -21.603 15.352 1.00848.95 N ATOM 48731 C8 G B2319 -824.078 -22.409 16.463 1.00848.95 C ATOM 48732 N7 G B2319 -825.252 -22.949 16.646 1.00848.95 N ATOM 48733 C5 G B2319 -826.020 -22.472 15.593 1.00848.95 C ATOM 48734 C6 G B2319 -827.378 -22.716 15.266 1.00848.95 C ATOM 48735 O6 G B2319 -828.198 -23.423 15.864 1.00848.95 O ATOM 48736 N1 G B2319 -827.755 -22.034 14.116 1.00848.95 N ATOM 48737 C2 G B2319 -826.936 -21.222 13.371 1.00848.95 C ATOM 48738 N2 G B2319 -827.493 -20.652 12.293 1.00848.95 N ATOM 48739 N3 G B2319 -825.665 -20.985 13.667 1.00848.95 N ATOM 48740 C4 G B2319 -825.277 -21.640 14.783 1.00848.95 C ATOM 48741 P G B2320 -821.744 -16.972 17.202 1.00848.95 P ATOM 48742 O1P G B2320 -820.691 -16.019 17.633 1.00848.95 O ATOM 48743 O2P G B2320 -822.747 -17.451 18.188 1.00848.95 O ATOM 48744 O5* G B2320 -822.524 -16.326 15.972 1.00848.95 O ATOM 48745 C5* G B2320 -821.822 -15.573 14.986 1.00848.95 C ATOM 48746 C4* G B2320 -822.802 -14.862 14.085 1.00848.95 C ATOM 48747 O4* G B2320 -823.499 -15.826 13.252 1.00848.95 O ATOM 48748 C3* G B2320 -823.911 -14.070 14.752 1.00848.95 C ATOM 48749 O3* G B2320 -823.461 -12.794 15.183 1.00848.95 O ATOM 48750 C2* G B2320 -824.972 -14.002 13.659 1.00848.95 C ATOM 48751 O2* G B2320 -824.722 -12.971 12.722 1.00848.95 O ATOM 48752 C1* G B2320 -824.808 -15.362 12.974 1.00848.95 C ATOM 48753 N9 G B2320 -825.750 -16.368 13.456 1.00848.95 N ATOM 48754 C8 G B2320 -825.429 -17.570 14.045 1.00848.95 C ATOM 48755 N7 G B2320 -826.475 -18.277 14.373 1.00848.95 N ATOM 48756 C5 G B2320 -827.557 -17.500 13.982 1.00848.95 C ATOM 48757 C6 G B2320 -828.949 -17.751 14.085 1.00848.95 C ATOM 48758 O6 G B2320 -829.518 -18.741 14.559 1.00848.95 O ATOM 48759 N1 G B2320 -829.699 -16.700 13.564 1.00848.95 N ATOM 48760 C2 G B2320 -829.171 -15.551 13.013 1.00848.95 C ATOM 48761 N2 G B2320 -830.055 -14.647 12.560 1.00848.95 N ATOM 48762 N3 G B2320 -827.873 -15.307 12.910 1.00848.95 N ATOM 48763 C4 G B2320 -827.129 -16.318 13.413 1.00848.95 C ATOM 48764 P C B2321 -824.275 -12.011 16.328 1.00848.95 P ATOM 48765 O1P C B2321 -823.672 -10.661 16.462 1.00848.95 O ATOM 48766 O2P C B2321 -824.375 -12.890 17.517 1.00848.95 O ATOM 48767 O5* C B2321 -825.729 -11.845 15.702 1.00848.95 O ATOM 48768 C5* C B2321 -825.968 -10.881 14.685 1.00848.95 C ATOM 48769 C4* C B2321 -827.450 -10.673 14.494 1.00848.95 C ATOM 48770 O4* C B2321 -828.054 -11.897 13.999 1.00848.95 O ATOM 48771 C3* C B2321 -828.145 -10.382 15.812 1.00848.95 C ATOM 48772 O3* C B2321 -828.163 -8.983 16.069 1.00848.95 O ATOM 48773 C2* C B2321 -829.548 -10.937 15.582 1.00848.95 C ATOM 48774 O2* C B2321 -830.387 -10.029 14.901 1.00848.95 O ATOM 48775 C1* C B2321 -829.267 -12.142 14.683 1.00848.95 C ATOM 48776 N1 C B2321 -829.153 -13.397 15.442 1.00848.95 N ATOM 48777 C2 C B2321 -830.329 -14.053 15.813 1.00848.95 C ATOM 48778 O2 C B2321 -831.417 -13.552 15.487 1.00848.95 O ATOM 48779 N3 C B2321 -830.251 -15.204 16.519 1.00848.95 N ATOM 48780 C4 C B2321 -829.065 -15.706 16.850 1.00848.95 C ATOM 48781 N4 C B2321 -829.047 -16.850 17.543 1.00848.95 N ATOM 48782 C5 C B2321 -827.844 -15.062 16.485 1.00848.95 C ATOM 48783 C6 C B2321 -827.936 -13.918 15.784 1.00848.95 C ATOM 48784 P U B2322 -827.908 -8.448 17.564 1.00848.95 P ATOM 48785 O1P U B2322 -827.699 -6.982 17.487 1.00848.95 O ATOM 48786 O2P U B2322 -826.871 -9.306 18.194 1.00848.95 O ATOM 48787 O5* U B2322 -829.291 -8.713 18.310 1.00848.95 O ATOM 48788 C5* U B2322 -830.523 -8.277 17.743 1.00848.95 C ATOM 48789 C4* U B2322 -831.664 -9.108 18.275 1.00848.95 C ATOM 48790 O4* U B2322 -831.505 -10.481 17.843 1.00848.95 O ATOM 48791 C3* U B2322 -831.775 -9.175 19.791 1.00848.95 C ATOM 48792 O3* U B2322 -832.548 -8.081 20.259 1.00848.95 O ATOM 48793 C2* U B2322 -832.468 -10.511 20.030 1.00848.95 C ATOM 48794 O2* U B2322 -833.875 -10.432 19.932 1.00848.95 O ATOM 48795 C1* U B2322 -831.936 -11.358 18.866 1.00848.95 C ATOM 48796 N1 U B2322 -830.823 -12.255 19.205 1.00848.95 N ATOM 48797 C2 U B2322 -831.126 -13.451 19.831 1.00848.95 C ATOM 48798 O2 U B2322 -832.249 -13.741 20.191 1.00848.95 O ATOM 48799 N3 U B2322 -830.062 -14.281 20.038 1.00848.95 N ATOM 48800 C4 U B2322 -828.733 -14.021 19.730 1.00848.95 C ATOM 48801 O4 U B2322 -827.869 -14.864 19.993 1.00848.95 O ATOM 48802 C5 U B2322 -828.495 -12.743 19.130 1.00848.95 C ATOM 48803 C6 U B2322 -829.523 -11.928 18.890 1.00848.95 C ATOM 48804 P U B2323 -832.429 -7.613 21.789 1.00848.95 P ATOM 48805 O1P U B2323 -833.362 -6.474 21.977 1.00848.95 O ATOM 48806 O2P U B2323 -830.991 -7.450 22.120 1.00848.95 O ATOM 48807 O5* U B2323 -832.991 -8.860 22.602 1.00848.95 O ATOM 48808 C5* U B2323 -834.378 -8.971 22.897 1.00848.95 C ATOM 48809 C4* U B2323 -834.783 -10.420 22.935 1.00848.95 C ATOM 48810 O4* U B2323 -833.971 -11.114 23.910 1.00848.95 O ATOM 48811 C3* U B2323 -836.212 -10.692 23.400 1.00848.95 C ATOM 48812 O3* U B2323 -837.118 -10.615 22.308 1.00848.95 O ATOM 48813 C2* U B2323 -836.142 -12.115 23.945 1.00848.95 C ATOM 48814 O2* U B2323 -836.341 -13.104 22.958 1.00848.95 O ATOM 48815 C1* U B2323 -834.700 -12.195 24.446 1.00848.95 C ATOM 48816 N1 U B2323 -834.542 -12.198 25.905 1.00848.95 N ATOM 48817 C2 U B2323 -834.480 -13.425 26.529 1.00848.95 C ATOM 48818 O2 U B2323 -834.603 -14.482 25.936 1.00848.95 O ATOM 48819 N3 U B2323 -834.267 -13.377 27.876 1.00848.95 N ATOM 48820 C4 U B2323 -834.154 -12.239 28.662 1.00848.95 C ATOM 48821 O4 U B2323 -834.012 -12.352 29.882 1.00848.95 O ATOM 48822 C5 U B2323 -834.260 -11.005 27.944 1.00848.95 C ATOM 48823 C6 U B2323 -834.444 -11.026 26.621 1.00848.95 C ATOM 48824 P G B2324 -838.463 -9.755 22.445 1.00848.95 P ATOM 48825 O1P G B2324 -839.160 -9.779 21.136 1.00848.95 O ATOM 48826 O2P G B2324 -838.111 -8.454 23.069 1.00848.95 O ATOM 48827 O5* G B2324 -839.324 -10.595 23.489 1.00848.95 O ATOM 48828 C5* G B2324 -839.408 -10.169 24.836 1.00848.95 C ATOM 48829 C4* G B2324 -840.532 -10.866 25.561 1.00848.95 C ATOM 48830 O4* G B2324 -841.801 -10.577 24.928 1.00848.95 O ATOM 48831 C3* G B2324 -840.467 -12.379 25.661 1.00848.95 C ATOM 48832 O3* G B2324 -839.643 -12.749 26.758 1.00848.95 O ATOM 48833 C2* G B2324 -841.926 -12.758 25.903 1.00848.95 C ATOM 48834 O2* G B2324 -842.290 -12.682 27.266 1.00848.95 O ATOM 48835 C1* G B2324 -842.676 -11.670 25.133 1.00848.95 C ATOM 48836 N9 G B2324 -843.205 -12.097 23.844 1.00848.95 N ATOM 48837 C8 G B2324 -843.014 -11.507 22.619 1.00848.95 C ATOM 48838 N7 G B2324 -843.632 -12.128 21.652 1.00848.95 N ATOM 48839 C5 G B2324 -844.264 -13.194 22.277 1.00848.95 C ATOM 48840 C6 G B2324 -845.092 -14.218 21.748 1.00848.95 C ATOM 48841 O6 G B2324 -845.438 -14.401 20.575 1.00848.95 O ATOM 48842 N1 G B2324 -845.527 -15.088 22.739 1.00848.95 N ATOM 48843 C2 G B2324 -845.209 -14.989 24.068 1.00848.95 C ATOM 48844 N2 G B2324 -845.734 -15.920 24.871 1.00848.95 N ATOM 48845 N3 G B2324 -844.436 -14.049 24.576 1.00848.95 N ATOM 48846 C4 G B2324 -844.008 -13.188 23.631 1.00848.95 C ATOM 48847 P A B2325 -839.191 -14.284 26.937 1.00848.95 P ATOM 48848 O1P A B2325 -837.742 -14.364 26.620 1.00848.95 O ATOM 48849 O2P A B2325 -840.149 -15.159 26.215 1.00848.95 O ATOM 48850 O5* A B2325 -839.358 -14.536 28.497 1.00848.95 O ATOM 48851 C5* A B2325 -840.436 -15.325 28.997 1.00848.95 C ATOM 48852 C4* A B2325 -840.100 -15.851 30.371 1.00848.95 C ATOM 48853 O4* A B2325 -838.870 -16.609 30.304 1.00848.95 O ATOM 48854 C3* A B2325 -839.866 -14.807 31.458 1.00848.95 C ATOM 48855 O3* A B2325 -841.112 -14.439 32.052 1.00848.95 O ATOM 48856 C2* A B2325 -838.937 -15.527 32.430 1.00848.95 C ATOM 48857 O2* A B2325 -839.629 -16.323 33.370 1.00848.95 O ATOM 48858 C1* A B2325 -838.135 -16.440 31.497 1.00848.95 C ATOM 48859 N9 A B2325 -836.794 -15.973 31.146 1.00848.95 N ATOM 48860 C8 A B2325 -836.257 -15.794 29.894 1.00848.95 C ATOM 48861 N7 A B2325 -835.005 -15.405 29.910 1.00848.95 N ATOM 48862 C5 A B2325 -834.700 -15.314 31.261 1.00848.95 C ATOM 48863 C6 A B2325 -833.522 -14.957 31.944 1.00848.95 C ATOM 48864 N6 A B2325 -832.384 -14.620 31.334 1.00848.95 N ATOM 48865 N1 A B2325 -833.553 -14.966 33.295 1.00848.95 N ATOM 48866 C2 A B2325 -834.694 -15.310 33.907 1.00848.95 C ATOM 48867 N3 A B2325 -835.861 -15.671 33.376 1.00848.95 N ATOM 48868 C4 A B2325 -835.796 -15.652 32.033 1.00848.95 C ATOM 48869 P C B2326 -841.455 -12.892 32.262 1.00848.95 P ATOM 48870 O1P C B2326 -840.403 -12.184 31.500 1.00848.95 O ATOM 48871 O2P C B2326 -841.600 -12.634 33.717 1.00848.95 O ATOM 48872 O5* C B2326 -842.893 -12.676 31.590 1.00848.95 O ATOM 48873 C5* C B2326 -843.050 -12.377 30.198 1.00848.95 C ATOM 48874 C4* C B2326 -843.465 -10.928 30.012 1.00848.95 C ATOM 48875 O4* C B2326 -843.408 -10.562 28.613 1.00848.95 O ATOM 48876 C3* C B2326 -844.871 -10.576 30.427 1.00848.95 C ATOM 48877 O3* C B2326 -844.946 -10.337 31.828 1.00848.95 O ATOM 48878 C2* C B2326 -845.143 -9.299 29.642 1.00848.95 C ATOM 48879 O2* C B2326 -844.620 -8.145 30.274 1.00848.95 O ATOM 48880 C1* C B2326 -844.372 -9.557 28.344 1.00848.95 C ATOM 48881 N1 C B2326 -845.242 -10.077 27.289 1.00848.95 N ATOM 48882 C2 C B2326 -845.795 -9.204 26.352 1.00848.95 C ATOM 48883 O2 C B2326 -845.536 -8.001 26.424 1.00848.95 O ATOM 48884 N3 C B2326 -846.602 -9.698 25.390 1.00848.95 N ATOM 48885 C4 C B2326 -846.867 -11.006 25.349 1.00848.95 C ATOM 48886 N4 C B2326 -847.671 -11.456 24.390 1.00848.95 N ATOM 48887 C5 C B2326 -846.321 -11.912 26.294 1.00848.95 C ATOM 48888 C6 C B2326 -845.518 -11.413 27.233 1.00848.95 C ATOM 48889 P U B2327 -846.235 -10.833 32.644 1.00848.95 P ATOM 48890 O1P U B2327 -845.967 -10.608 34.087 1.00848.95 O ATOM 48891 O2P U B2327 -846.576 -12.195 32.165 1.00848.95 O ATOM 48892 O5* U B2327 -847.389 -9.835 32.186 1.00848.95 O ATOM 48893 C5* U B2327 -847.360 -8.458 32.551 1.00848.95 C ATOM 48894 C4* U B2327 -848.459 -7.705 31.840 1.00848.95 C ATOM 48895 O4* U B2327 -848.296 -7.839 30.405 1.00848.95 O ATOM 48896 C3* U B2327 -849.876 -8.188 32.079 1.00848.95 C ATOM 48897 O3* U B2327 -850.386 -7.626 33.276 1.00848.95 O ATOM 48898 C2* U B2327 -850.631 -7.685 30.859 1.00848.95 C ATOM 48899 O2* U B2327 -851.060 -6.345 30.997 1.00848.95 O ATOM 48900 C1* U B2327 -849.560 -7.777 29.769 1.00848.95 C ATOM 48901 N1 U B2327 -849.708 -8.981 28.936 1.00848.95 N ATOM 48902 C2 U B2327 -850.550 -8.906 27.847 1.00848.95 C ATOM 48903 O2 U B2327 -851.166 -7.896 27.552 1.00848.95 O ATOM 48904 N3 U B2327 -850.645 -10.058 27.110 1.00848.95 N ATOM 48905 C4 U B2327 -849.998 -11.256 27.348 1.00848.95 C ATOM 48906 O4 U B2327 -850.181 -12.206 26.586 1.00848.95 O ATOM 48907 C5 U B2327 -849.149 -11.253 28.499 1.00848.95 C ATOM 48908 C6 U B2327 -849.034 -10.142 29.237 1.00848.95 C ATOM 48909 P G B2328 -851.624 -8.333 34.006 1.00848.95 P ATOM 48910 O1P G B2328 -851.918 -7.562 35.239 1.00848.95 O ATOM 48911 O2P G B2328 -851.312 -9.780 34.095 1.00848.95 O ATOM 48912 O5* G B2328 -852.835 -8.137 32.990 1.00848.95 O ATOM 48913 C5* G B2328 -853.533 -6.901 32.924 1.00848.95 C ATOM 48914 C4* G B2328 -854.600 -6.949 31.859 1.00848.95 C ATOM 48915 O4* G B2328 -853.988 -7.095 30.550 1.00848.95 O ATOM 48916 C3* G B2328 -855.622 -8.070 31.896 1.00848.95 C ATOM 48917 O3* G B2328 -856.654 -7.830 32.840 1.00848.95 O ATOM 48918 C2* G B2328 -856.153 -8.085 30.467 1.00848.95 C ATOM 48919 O2* G B2328 -857.157 -7.111 30.248 1.00848.95 O ATOM 48920 C1* G B2328 -854.903 -7.730 29.669 1.00848.95 C ATOM 48921 N9 G B2328 -854.271 -8.930 29.128 1.00848.95 N ATOM 48922 C8 G B2328 -853.247 -9.663 29.679 1.00848.95 C ATOM 48923 N7 G B2328 -852.921 -10.705 28.962 1.00848.95 N ATOM 48924 C5 G B2328 -853.781 -10.655 27.872 1.00848.95 C ATOM 48925 C6 G B2328 -853.905 -11.522 26.758 1.00848.95 C ATOM 48926 O6 G B2328 -853.259 -12.545 26.500 1.00848.95 O ATOM 48927 N1 G B2328 -854.905 -11.101 25.888 1.00848.95 N ATOM 48928 C2 G B2328 -855.691 -9.990 26.069 1.00848.95 C ATOM 48929 N2 G B2328 -856.606 -9.748 25.118 1.00848.95 N ATOM 48930 N3 G B2328 -855.585 -9.172 27.101 1.00848.95 N ATOM 48931 C4 G B2328 -854.618 -9.565 27.961 1.00848.95 C ATOM 48932 P C B2329 -857.701 -9.001 33.171 1.00848.95 P ATOM 48933 O1P C B2329 -859.036 -8.556 32.699 1.00848.95 O ATOM 48934 O2P C B2329 -857.517 -9.406 34.585 1.00848.95 O ATOM 48935 O5* C B2329 -857.222 -10.200 32.235 1.00848.95 O ATOM 48936 C5* C B2329 -858.058 -11.327 31.990 1.00848.95 C ATOM 48937 C4* C B2329 -858.485 -11.350 30.539 1.00848.95 C ATOM 48938 O4* C B2329 -857.316 -11.358 29.682 1.00848.95 O ATOM 48939 C3* C B2329 -859.297 -12.563 30.108 1.00848.95 C ATOM 48940 O3* C B2329 -860.686 -12.380 30.378 1.00848.95 O ATOM 48941 C2* C B2329 -859.043 -12.612 28.602 1.00848.95 C ATOM 48942 O2* C B2329 -859.923 -11.786 27.869 1.00848.95 O ATOM 48943 C1* C B2329 -857.620 -12.053 28.488 1.00848.95 C ATOM 48944 N1 C B2329 -856.578 -13.059 28.224 1.00848.95 N ATOM 48945 C2 C B2329 -856.558 -13.677 26.968 1.00848.95 C ATOM 48946 O2 C B2329 -857.405 -13.346 26.124 1.00848.95 O ATOM 48947 N3 C B2329 -855.621 -14.614 26.707 1.00848.95 N ATOM 48948 C4 C B2329 -854.724 -14.939 27.641 1.00848.95 C ATOM 48949 N4 C B2329 -853.822 -15.874 27.338 1.00848.95 N ATOM 48950 C5 C B2329 -854.716 -14.321 28.927 1.00848.95 C ATOM 48951 C6 C B2329 -855.653 -13.394 29.174 1.00848.95 C ATOM 48952 P G B2330 -861.491 -13.484 31.229 1.00848.95 P ATOM 48953 O1P G B2330 -862.877 -12.977 31.394 1.00848.95 O ATOM 48954 O2P G B2330 -860.685 -13.826 32.427 1.00848.95 O ATOM 48955 O5* G B2330 -861.544 -14.761 30.274 1.00848.95 O ATOM 48956 C5* G B2330 -862.214 -14.704 29.012 1.00848.95 C ATOM 48957 C4* G B2330 -861.739 -15.830 28.123 1.00848.95 C ATOM 48958 O4* G B2330 -860.331 -15.653 27.847 1.00848.95 O ATOM 48959 C3* G B2330 -861.852 -17.244 28.673 1.00848.95 C ATOM 48960 O3* G B2330 -863.137 -17.799 28.413 1.00848.95 O ATOM 48961 C2* G B2330 -860.767 -17.996 27.906 1.00848.95 C ATOM 48962 O2* G B2330 -861.213 -18.450 26.645 1.00848.95 O ATOM 48963 C1* G B2330 -859.709 -16.911 27.699 1.00848.95 C ATOM 48964 N9 G B2330 -858.586 -16.967 28.629 1.00848.95 N ATOM 48965 C8 G B2330 -858.541 -16.460 29.905 1.00848.95 C ATOM 48966 N7 G B2330 -857.383 -16.631 30.481 1.00848.95 N ATOM 48967 C5 G B2330 -856.621 -17.298 29.530 1.00848.95 C ATOM 48968 C6 G B2330 -855.283 -17.740 29.576 1.00848.95 C ATOM 48969 O6 G B2330 -854.473 -17.626 30.490 1.00848.95 O ATOM 48970 N1 G B2330 -854.909 -18.376 28.401 1.00848.95 N ATOM 48971 C2 G B2330 -855.718 -18.558 27.310 1.00848.95 C ATOM 48972 N2 G B2330 -855.175 -19.199 26.268 1.00848.95 N ATOM 48973 N3 G B2330 -856.973 -18.140 27.247 1.00848.95 N ATOM 48974 C4 G B2330 -857.356 -17.523 28.386 1.00848.95 C ATOM 48975 P A B2331 -863.877 -18.691 29.524 1.00848.95 P ATOM 48976 O1P A B2331 -864.795 -17.790 30.266 1.00848.95 O ATOM 48977 O2P A B2331 -862.867 -19.484 30.267 1.00848.95 O ATOM 48978 O5* A B2331 -864.764 -19.684 28.652 1.00848.95 O ATOM 48979 C5* A B2331 -865.902 -19.193 27.948 1.00848.95 C ATOM 48980 C4* A B2331 -866.221 -20.077 26.764 1.00848.95 C ATOM 48981 O4* A B2331 -865.166 -19.993 25.773 1.00848.95 O ATOM 48982 C3* A B2331 -866.342 -21.554 27.105 1.00848.95 C ATOM 48983 O3* A B2331 -867.651 -21.889 27.549 1.00848.95 O ATOM 48984 C2* A B2331 -865.997 -22.232 25.782 1.00848.95 C ATOM 48985 O2* A B2331 -867.107 -22.318 24.908 1.00848.95 O ATOM 48986 C1* A B2331 -864.963 -21.270 25.190 1.00848.95 C ATOM 48987 N9 A B2331 -863.585 -21.688 25.443 1.00848.95 N ATOM 48988 C8 A B2331 -862.678 -21.174 26.337 1.00848.95 C ATOM 48989 N7 A B2331 -861.513 -21.769 26.310 1.00848.95 N ATOM 48990 C5 A B2331 -861.661 -22.745 25.332 1.00848.95 C ATOM 48991 C6 A B2331 -860.783 -23.712 24.824 1.00848.95 C ATOM 48992 N6 A B2331 -859.525 -23.868 25.244 1.00848.95 N ATOM 48993 N1 A B2331 -861.246 -24.529 23.856 1.00848.95 N ATOM 48994 C2 A B2331 -862.507 -24.376 23.432 1.00848.95 C ATOM 48995 N3 A B2331 -863.422 -23.504 23.827 1.00848.95 N ATOM 48996 C4 A B2331 -862.933 -22.706 24.793 1.00848.95 C ATOM 48997 P G B2332 -867.839 -22.837 28.830 1.00848.95 P ATOM 48998 O1P G B2332 -869.270 -23.224 28.887 1.00848.95 O ATOM 48999 O2P G B2332 -867.212 -22.166 30.001 1.00848.95 O ATOM 49000 O5* G B2332 -866.984 -24.130 28.473 1.00848.95 O ATOM 49001 C5* G B2332 -867.388 -24.992 27.414 1.00848.95 C ATOM 49002 C4* G B2332 -866.247 -25.884 26.989 1.00848.95 C ATOM 49003 O4* G B2332 -865.113 -25.091 26.551 1.00848.95 O ATOM 49004 C3* G B2332 -865.689 -26.819 28.041 1.00848.95 C ATOM 49005 O3* G B2332 -866.479 -27.997 28.116 1.00848.95 O ATOM 49006 C2* G B2332 -864.284 -27.108 27.522 1.00848.95 C ATOM 49007 O2* G B2332 -864.262 -28.151 26.568 1.00848.95 O ATOM 49008 C1* G B2332 -863.912 -25.789 26.842 1.00848.95 C ATOM 49009 N9 G B2332 -863.048 -24.944 27.661 1.00848.95 N ATOM 49010 C8 G B2332 -863.409 -23.868 28.436 1.00848.95 C ATOM 49011 N7 G B2332 -862.399 -23.331 29.070 1.00848.95 N ATOM 49012 C5 G B2332 -861.305 -24.095 28.682 1.00848.95 C ATOM 49013 C6 G B2332 -859.929 -23.996 29.044 1.00848.95 C ATOM 49014 O6 G B2332 -859.385 -23.183 29.803 1.00848.95 O ATOM 49015 N1 G B2332 -859.167 -24.978 28.421 1.00848.95 N ATOM 49016 C2 G B2332 -859.655 -25.930 27.562 1.00848.95 C ATOM 49017 N2 G B2332 -858.757 -26.790 27.060 1.00848.95 N ATOM 49018 N3 G B2332 -860.927 -26.037 27.220 1.00848.95 N ATOM 49019 C4 G B2332 -861.689 -25.095 27.813 1.00848.95 C ATOM 49020 P A B2333 -866.477 -28.866 29.470 1.00848.95 P ATOM 49021 O1P A B2333 -867.286 -30.083 29.227 1.00848.95 O ATOM 49022 O2P A B2333 -866.820 -27.969 30.602 1.00848.95 O ATOM 49023 O5* A B2333 -864.954 -29.299 29.624 1.00848.95 O ATOM 49024 C5* A B2333 -864.461 -29.816 30.853 1.00848.95 C ATOM 49025 C4* A B2333 -863.131 -30.484 30.631 1.00848.95 C ATOM 49026 O4* A B2333 -862.193 -29.539 30.046 1.00848.95 O ATOM 49027 C3* A B2333 -862.446 -30.977 31.891 1.00848.95 C ATOM 49028 O3* A B2333 -862.891 -32.279 32.249 1.00848.95 O ATOM 49029 C2* A B2333 -860.985 -30.997 31.484 1.00848.95 C ATOM 49030 O2* A B2333 -860.712 -32.174 30.759 1.00848.95 O ATOM 49031 C1* A B2333 -860.892 -29.785 30.550 1.00848.95 C ATOM 49032 N9 A B2333 -860.424 -28.579 31.235 1.00848.95 N ATOM 49033 C8 A B2333 -861.147 -27.441 31.496 1.00848.95 C ATOM 49034 N7 A B2333 -860.472 -26.528 32.156 1.00848.95 N ATOM 49035 C5 A B2333 -859.220 -27.100 32.327 1.00848.95 C ATOM 49036 C6 A B2333 -858.047 -26.635 32.957 1.00848.95 C ATOM 49037 N6 A B2333 -857.945 -25.446 33.549 1.00848.95 N ATOM 49038 N1 A B2333 -856.969 -27.451 32.955 1.00848.95 N ATOM 49039 C2 A B2333 -857.074 -28.642 32.359 1.00848.95 C ATOM 49040 N3 A B2333 -858.118 -29.191 31.737 1.00848.95 N ATOM 49041 C4 A B2333 -859.172 -28.357 31.757 1.00848.95 C ATOM 49042 P C B2334 -863.249 -32.602 33.782 1.00848.95 P ATOM 49043 O1P C B2334 -864.268 -33.684 33.781 1.00848.95 O ATOM 49044 O2P C B2334 -863.542 -31.319 34.469 1.00848.95 O ATOM 49045 O5* C B2334 -861.900 -33.192 34.395 1.00848.95 O ATOM 49046 C5* C B2334 -861.484 -34.519 34.099 1.00848.95 C ATOM 49047 C4* C B2334 -860.013 -34.695 34.402 1.00848.95 C ATOM 49048 O4* C B2334 -859.249 -33.631 33.794 1.00848.95 O ATOM 49049 C3* C B2334 -859.659 -34.641 35.868 1.00848.95 C ATOM 49050 O3* C B2334 -859.785 -35.940 36.424 1.00848.95 O ATOM 49051 C2* C B2334 -858.208 -34.162 35.855 1.00848.95 C ATOM 49052 O2* C B2334 -857.297 -35.220 35.623 1.00848.95 O ATOM 49053 C1* C B2334 -858.196 -33.234 34.641 1.00848.95 C ATOM 49054 N1 C B2334 -858.393 -31.811 34.953 1.00848.95 N ATOM 49055 C2 C B2334 -857.310 -31.051 35.408 1.00848.95 C ATOM 49056 O2 C B2334 -856.217 -31.605 35.583 1.00848.95 O ATOM 49057 N3 C B2334 -857.487 -29.734 35.655 1.00848.95 N ATOM 49058 C4 C B2334 -858.686 -29.175 35.470 1.00848.95 C ATOM 49059 N4 C B2334 -858.811 -27.869 35.715 1.00848.95 N ATOM 49060 C5 C B2334 -859.808 -29.929 35.020 1.00848.95 C ATOM 49061 C6 C B2334 -859.618 -31.229 34.779 1.00848.95 C ATOM 49062 P U B2335 -859.961 -36.102 38.002 1.00848.95 P ATOM 49063 O1P U B2335 -859.694 -37.521 38.343 1.00848.95 O ATOM 49064 O2P U B2335 -861.255 -35.483 38.386 1.00848.95 O ATOM 49065 O5* U B2335 -858.784 -35.207 38.588 1.00848.95 O ATOM 49066 C5* U B2335 -857.495 -35.762 38.833 1.00848.95 C ATOM 49067 C4* U B2335 -856.848 -35.034 39.978 1.00848.95 C ATOM 49068 O4* U B2335 -856.401 -33.727 39.529 1.00848.95 O ATOM 49069 C3* U B2335 -857.854 -34.729 41.066 1.00848.95 C ATOM 49070 O3* U B2335 -858.038 -35.830 41.938 1.00848.95 O ATOM 49071 C2* U B2335 -857.266 -33.494 41.732 1.00848.95 C ATOM 49072 O2* U B2335 -856.247 -33.805 42.658 1.00848.95 O ATOM 49073 C1* U B2335 -856.681 -32.756 40.528 1.00848.95 C ATOM 49074 N1 U B2335 -857.657 -31.812 39.961 1.00848.95 N ATOM 49075 C2 U B2335 -857.898 -30.634 40.641 1.00848.95 C ATOM 49076 O2 U B2335 -857.322 -30.338 41.672 1.00848.95 O ATOM 49077 N3 U B2335 -858.843 -29.820 40.065 1.00848.95 N ATOM 49078 C4 U B2335 -859.553 -30.056 38.905 1.00848.95 C ATOM 49079 O4 U B2335 -860.389 -29.236 38.526 1.00848.95 O ATOM 49080 C5 U B2335 -859.233 -31.289 38.256 1.00848.95 C ATOM 49081 C6 U B2335 -858.322 -32.101 38.789 1.00848.95 C ATOM 49082 P G B2336 -859.425 -36.645 41.893 1.00848.95 P ATOM 49083 O1P G B2336 -859.118 -38.058 41.568 1.00848.95 O ATOM 49084 O2P G B2336 -860.373 -35.883 41.040 1.00848.95 O ATOM 49085 O5* G B2336 -859.941 -36.567 43.394 1.00848.95 O ATOM 49086 C5* G B2336 -859.048 -36.806 44.479 1.00848.95 C ATOM 49087 C4* G B2336 -858.785 -35.529 45.232 1.00848.95 C ATOM 49088 O4* G B2336 -858.375 -34.483 44.308 1.00848.95 O ATOM 49089 C3* G B2336 -859.979 -34.940 45.969 1.00848.95 C ATOM 49090 O3* G B2336 -860.208 -35.546 47.233 1.00848.95 O ATOM 49091 C2* G B2336 -859.612 -33.466 46.070 1.00848.95 C ATOM 49092 O2* G B2336 -858.733 -33.197 47.142 1.00848.95 O ATOM 49093 C1* G B2336 -858.897 -33.236 44.737 1.00848.95 C ATOM 49094 N9 G B2336 -859.811 -32.750 43.710 1.00848.95 N ATOM 49095 C8 G B2336 -860.643 -33.504 42.918 1.00848.95 C ATOM 49096 N7 G B2336 -861.368 -32.783 42.107 1.00848.95 N ATOM 49097 C5 G B2336 -860.988 -31.476 42.374 1.00848.95 C ATOM 49098 C6 G B2336 -861.436 -30.252 41.807 1.00848.95 C ATOM 49099 O6 G B2336 -862.286 -30.075 40.928 1.00848.95 O ATOM 49100 N1 G B2336 -860.783 -29.159 42.371 1.00848.95 N ATOM 49101 C2 G B2336 -859.826 -29.233 43.352 1.00848.95 C ATOM 49102 N2 G B2336 -859.314 -28.064 43.763 1.00848.95 N ATOM 49103 N3 G B2336 -859.405 -30.363 43.893 1.00848.95 N ATOM 49104 C4 G B2336 -860.021 -31.439 43.358 1.00848.95 C ATOM 49105 P A B2337 -861.450 -35.056 48.122 1.00848.95 P ATOM 49106 O1P A B2337 -860.924 -34.189 49.205 1.00848.95 O ATOM 49107 O2P A B2337 -862.268 -36.249 48.469 1.00848.95 O ATOM 49108 O5* A B2337 -862.284 -34.149 47.117 1.00848.95 O ATOM 49109 C5* A B2337 -863.579 -34.536 46.682 1.00848.95 C ATOM 49110 C4* A B2337 -864.627 -33.671 47.339 1.00848.95 C ATOM 49111 O4* A B2337 -864.983 -34.231 48.630 1.00848.95 O ATOM 49112 C3* A B2337 -864.110 -32.275 47.630 1.00848.95 C ATOM 49113 O3* A B2337 -864.313 -31.392 46.533 1.00848.95 O ATOM 49114 C2* A B2337 -864.923 -31.858 48.850 1.00848.95 C ATOM 49115 O2* A B2337 -866.190 -31.336 48.507 1.00848.95 O ATOM 49116 C1* A B2337 -865.097 -33.190 49.583 1.00848.95 C ATOM 49117 N9 A B2337 -864.084 -33.380 50.618 1.00848.95 N ATOM 49118 C8 A B2337 -863.370 -34.508 50.944 1.00848.95 C ATOM 49119 N7 A B2337 -862.515 -34.329 51.921 1.00848.95 N ATOM 49120 C5 A B2337 -862.679 -32.991 52.265 1.00848.95 C ATOM 49121 C6 A B2337 -862.057 -32.179 53.231 1.00848.95 C ATOM 49122 N6 A B2337 -861.103 -32.607 54.061 1.00848.95 N ATOM 49123 N1 A B2337 -862.453 -30.889 53.313 1.00848.95 N ATOM 49124 C2 A B2337 -863.406 -30.457 52.478 1.00848.95 C ATOM 49125 N3 A B2337 -864.060 -31.123 51.531 1.00848.95 N ATOM 49126 C4 A B2337 -863.643 -32.400 51.474 1.00848.95 C ATOM 49127 P C B2338 -863.050 -30.629 45.887 1.00848.95 P ATOM 49128 O1P C B2338 -863.547 -29.889 44.699 1.00848.95 O ATOM 49129 O2P C B2338 -861.953 -31.614 45.729 1.00848.95 O ATOM 49130 O5* C B2338 -862.615 -29.563 46.991 1.00848.95 O ATOM 49131 C5* C B2338 -863.533 -28.579 47.458 1.00848.95 C ATOM 49132 C4* C B2338 -862.946 -27.812 48.626 1.00848.95 C ATOM 49133 O4* C B2338 -862.615 -28.749 49.682 1.00848.95 O ATOM 49134 C3* C B2338 -861.642 -27.060 48.370 1.00848.95 C ATOM 49135 O3* C B2338 -861.867 -25.766 47.820 1.00848.95 O ATOM 49136 C2* C B2338 -861.038 -26.969 49.765 1.00848.95 C ATOM 49137 O2* C B2338 -861.580 -25.909 50.526 1.00848.95 O ATOM 49138 C1* C B2338 -861.456 -28.306 50.373 1.00848.95 C ATOM 49139 N1 C B2338 -860.408 -29.323 50.204 1.00848.95 N ATOM 49140 C2 C B2338 -859.183 -29.137 50.851 1.00848.95 C ATOM 49141 O2 C B2338 -859.027 -28.141 51.574 1.00848.95 O ATOM 49142 N3 C B2338 -858.199 -30.052 50.677 1.00848.95 N ATOM 49143 C4 C B2338 -858.410 -31.115 49.896 1.00848.95 C ATOM 49144 N4 C B2338 -857.417 -31.992 49.748 1.00848.95 N ATOM 49145 C5 C B2338 -859.654 -31.331 49.237 1.00848.95 C ATOM 49146 C6 C B2338 -860.615 -30.419 49.417 1.00848.95 C ATOM 49147 P A B2339 -860.965 -25.260 46.587 1.00848.95 P ATOM 49148 O1P A B2339 -861.428 -23.894 46.228 1.00848.95 O ATOM 49149 O2P A B2339 -860.949 -26.325 45.554 1.00848.95 O ATOM 49150 O5* A B2339 -859.497 -25.137 47.195 1.00848.95 O ATOM 49151 C5* A B2339 -859.275 -24.517 48.459 1.00848.95 C ATOM 49152 C4* A B2339 -858.044 -25.093 49.121 1.00848.95 C ATOM 49153 O4* A B2339 -858.191 -26.532 49.253 1.00848.95 O ATOM 49154 C3* A B2339 -856.769 -24.915 48.318 1.00848.95 C ATOM 49155 O3* A B2339 -856.160 -23.657 48.573 1.00848.95 O ATOM 49156 C2* A B2339 -855.902 -26.069 48.806 1.00848.95 C ATOM 49157 O2* A B2339 -855.238 -25.776 50.022 1.00848.95 O ATOM 49158 C1* A B2339 -856.944 -27.162 49.023 1.00848.95 C ATOM 49159 N9 A B2339 -857.070 -28.004 47.838 1.00848.95 N ATOM 49160 C8 A B2339 -857.826 -27.766 46.717 1.00848.95 C ATOM 49161 N7 A B2339 -857.705 -28.690 45.792 1.00848.95 N ATOM 49162 C5 A B2339 -856.812 -29.598 46.346 1.00848.95 C ATOM 49163 C6 A B2339 -856.268 -30.803 45.867 1.00848.95 C ATOM 49164 N6 A B2339 -856.547 -31.314 44.666 1.00848.95 N ATOM 49165 N1 A B2339 -855.409 -31.467 46.670 1.00848.95 N ATOM 49166 C2 A B2339 -855.124 -30.949 47.871 1.00848.95 C ATOM 49167 N3 A B2339 -855.569 -29.827 48.431 1.00848.95 N ATOM 49168 C4 A B2339 -856.420 -29.191 47.608 1.00848.95 C ATOM 49169 P C B2340 -856.518 -22.405 47.631 1.00848.95 P ATOM 49170 O1P C B2340 -855.248 -21.683 47.390 1.00848.95 O ATOM 49171 O2P C B2340 -857.682 -21.682 48.209 1.00848.95 O ATOM 49172 O5* C B2340 -856.967 -23.068 46.255 1.00848.95 O ATOM 49173 C5* C B2340 -856.118 -23.033 45.113 1.00848.95 C ATOM 49174 C4* C B2340 -855.826 -24.436 44.635 1.00848.95 C ATOM 49175 O4* C B2340 -857.072 -25.131 44.376 1.00848.95 O ATOM 49176 C3* C B2340 -855.057 -24.538 43.326 1.00848.95 C ATOM 49177 O3* C B2340 -853.659 -24.403 43.523 1.00848.95 O ATOM 49178 C2* C B2340 -855.455 -25.922 42.813 1.00848.95 C ATOM 49179 O2* C B2340 -854.698 -26.960 43.401 1.00848.95 O ATOM 49180 C1* C B2340 -856.908 -26.019 43.282 1.00848.95 C ATOM 49181 N1 C B2340 -857.868 -25.624 42.238 1.00848.95 N ATOM 49182 C2 C B2340 -858.257 -26.567 41.283 1.00848.95 C ATOM 49183 O2 C B2340 -857.788 -27.713 41.343 1.00848.95 O ATOM 49184 N3 C B2340 -859.134 -26.205 40.316 1.00848.95 N ATOM 49185 C4 C B2340 -859.618 -24.958 40.285 1.00848.95 C ATOM 49186 N4 C B2340 -860.477 -24.646 39.314 1.00848.95 N ATOM 49187 C5 C B2340 -859.236 -23.981 41.249 1.00848.95 C ATOM 49188 C6 C B2340 -858.370 -24.354 42.198 1.00848.95 C ATOM 49189 P G B2341 -852.872 -23.218 42.778 1.00848.95 P ATOM 49190 O1P G B2341 -851.766 -22.774 43.663 1.00848.95 O ATOM 49191 O2P G B2341 -853.867 -22.227 42.296 1.00848.95 O ATOM 49192 O5* G B2341 -852.232 -23.940 41.512 1.00848.95 O ATOM 49193 C5* G B2341 -850.913 -24.464 41.572 1.00848.95 C ATOM 49194 C4* G B2341 -850.810 -25.729 40.756 1.00848.95 C ATOM 49195 O4* G B2341 -851.889 -26.639 41.100 1.00848.95 O ATOM 49196 C3* G B2341 -850.902 -25.577 39.258 1.00848.95 C ATOM 49197 O3* G B2341 -849.634 -25.207 38.740 1.00848.95 O ATOM 49198 C2* G B2341 -851.346 -26.961 38.804 1.00848.95 C ATOM 49199 O2* G B2341 -850.269 -27.870 38.693 1.00848.95 O ATOM 49200 C1* G B2341 -852.264 -27.385 39.950 1.00848.95 C ATOM 49201 N9 G B2341 -853.658 -27.100 39.636 1.00848.95 N ATOM 49202 C8 G B2341 -854.309 -25.894 39.728 1.00848.95 C ATOM 49203 N7 G B2341 -855.549 -25.948 39.330 1.00848.95 N ATOM 49204 C5 G B2341 -855.732 -27.274 38.963 1.00848.95 C ATOM 49205 C6 G B2341 -856.879 -27.937 38.447 1.00848.95 C ATOM 49206 O6 G B2341 -857.996 -27.474 38.196 1.00848.95 O ATOM 49207 N1 G B2341 -856.628 -29.287 38.215 1.00848.95 N ATOM 49208 C2 G B2341 -855.432 -29.918 38.445 1.00848.95 C ATOM 49209 N2 G B2341 -855.390 -31.228 38.162 1.00848.95 N ATOM 49210 N3 G B2341 -854.358 -29.310 38.921 1.00848.95 N ATOM 49211 C4 G B2341 -854.579 -28.001 39.155 1.00848.95 C ATOM 49212 P U B2342 -849.540 -24.608 37.252 1.00848.95 P ATOM 49213 O1P U B2342 -848.120 -24.274 36.979 1.00848.95 O ATOM 49214 O2P U B2342 -850.583 -23.559 37.104 1.00848.95 O ATOM 49215 O5* U B2342 -849.951 -25.842 36.333 1.00848.95 O ATOM 49216 C5* U B2342 -849.051 -26.924 36.133 1.00848.95 C ATOM 49217 C4* U B2342 -849.731 -28.035 35.379 1.00848.95 C ATOM 49218 O4* U B2342 -850.904 -28.497 36.097 1.00848.95 O ATOM 49219 C3* U B2342 -850.253 -27.642 34.012 1.00848.95 C ATOM 49220 O3* U B2342 -849.229 -27.665 33.031 1.00848.95 O ATOM 49221 C2* U B2342 -851.351 -28.669 33.765 1.00848.95 C ATOM 49222 O2* U B2342 -850.855 -29.898 33.283 1.00848.95 O ATOM 49223 C1* U B2342 -851.919 -28.856 35.175 1.00848.95 C ATOM 49224 N1 U B2342 -853.092 -28.001 35.407 1.00848.95 N ATOM 49225 C2 U B2342 -854.342 -28.558 35.205 1.00848.95 C ATOM 49226 O2 U B2342 -854.503 -29.721 34.876 1.00848.95 O ATOM 49227 N3 U B2342 -855.395 -27.703 35.402 1.00848.95 N ATOM 49228 C4 U B2342 -855.331 -26.377 35.781 1.00848.95 C ATOM 49229 O4 U B2342 -856.371 -25.728 35.890 1.00848.95 O ATOM 49230 C5 U B2342 -854.005 -25.877 35.984 1.00848.95 C ATOM 49231 C6 U B2342 -852.955 -26.689 35.795 1.00848.95 C ATOM 49232 P C B2343 -849.340 -26.689 31.759 1.00848.95 P ATOM 49233 O1P C B2343 -848.189 -26.971 30.866 1.00848.95 O ATOM 49234 O2P C B2343 -849.561 -25.309 32.258 1.00848.95 O ATOM 49235 O5* C B2343 -850.675 -27.183 31.043 1.00848.95 O ATOM 49236 C5* C B2343 -850.731 -28.480 30.463 1.00848.95 C ATOM 49237 C4* C B2343 -851.754 -28.536 29.364 1.00848.95 C ATOM 49238 O4* C B2343 -853.097 -28.456 29.908 1.00848.95 O ATOM 49239 C3* C B2343 -851.688 -27.412 28.347 1.00848.95 C ATOM 49240 O3* C B2343 -850.689 -27.640 27.364 1.00848.95 O ATOM 49241 C2* C B2343 -853.093 -27.427 27.754 1.00848.95 C ATOM 49242 O2* C B2343 -853.257 -28.390 26.734 1.00848.95 O ATOM 49243 C1* C B2343 -853.948 -27.831 28.962 1.00848.95 C ATOM 49244 N1 C B2343 -854.608 -26.673 29.574 1.00848.95 N ATOM 49245 C2 C B2343 -855.757 -26.168 28.962 1.00848.95 C ATOM 49246 O2 C B2343 -856.192 -26.738 27.950 1.00848.95 O ATOM 49247 N3 C B2343 -856.362 -25.077 29.477 1.00848.95 N ATOM 49248 C4 C B2343 -855.866 -24.495 30.570 1.00848.95 C ATOM 49249 N4 C B2343 -856.492 -23.411 31.036 1.00848.95 N ATOM 49250 C5 C B2343 -854.704 -24.999 31.231 1.00848.95 C ATOM 49251 C6 C B2343 -854.111 -26.081 30.705 1.00848.95 C ATOM 49252 P G B2344 -849.888 -26.390 26.744 1.00848.95 P ATOM 49253 O1P G B2344 -848.795 -26.910 25.888 1.00848.95 O ATOM 49254 O2P G B2344 -849.571 -25.453 27.850 1.00848.95 O ATOM 49255 O5* G B2344 -850.959 -25.694 25.797 1.00848.95 O ATOM 49256 C5* G B2344 -851.522 -26.397 24.698 1.00848.95 C ATOM 49257 C4* G B2344 -852.834 -25.772 24.292 1.00848.95 C ATOM 49258 O4* G B2344 -853.706 -25.671 25.444 1.00848.95 O ATOM 49259 C3* G B2344 -852.756 -24.355 23.738 1.00848.95 C ATOM 49260 O3* G B2344 -852.463 -24.368 22.345 1.00848.95 O ATOM 49261 C2* G B2344 -854.147 -23.806 24.027 1.00848.95 C ATOM 49262 O2* G B2344 -855.096 -24.168 23.049 1.00848.95 O ATOM 49263 C1* G B2344 -854.491 -24.498 25.348 1.00848.95 C ATOM 49264 N9 G B2344 -854.207 -23.666 26.513 1.00848.95 N ATOM 49265 C8 G B2344 -852.994 -23.503 27.136 1.00848.95 C ATOM 49266 N7 G B2344 -853.044 -22.685 28.151 1.00848.95 N ATOM 49267 C5 G B2344 -854.373 -22.286 28.203 1.00848.95 C ATOM 49268 C6 G B2344 -855.032 -21.400 29.099 1.00848.95 C ATOM 49269 O6 G B2344 -854.555 -20.773 30.051 1.00848.95 O ATOM 49270 N1 G B2344 -856.382 -21.280 28.792 1.00848.95 N ATOM 49271 C2 G B2344 -857.020 -21.921 27.760 1.00848.95 C ATOM 49272 N2 G B2344 -858.334 -21.674 27.628 1.00848.95 N ATOM 49273 N3 G B2344 -856.420 -22.750 26.918 1.00848.95 N ATOM 49274 C4 G B2344 -855.105 -22.882 27.202 1.00848.95 C ATOM 49275 P A B2345 -851.782 -23.083 21.663 1.00848.95 P ATOM 49276 O1P A B2345 -850.582 -23.552 20.929 1.00848.95 O ATOM 49277 O2P A B2345 -851.644 -22.026 22.696 1.00848.95 O ATOM 49278 O5* A B2345 -852.860 -22.599 20.593 1.00848.95 O ATOM 49279 C5* A B2345 -853.097 -23.346 19.403 1.00848.95 C ATOM 49280 C4* A B2345 -854.549 -23.232 18.998 1.00848.95 C ATOM 49281 O4* A B2345 -855.389 -23.577 20.133 1.00848.95 O ATOM 49282 C3* A B2345 -855.036 -21.865 18.575 1.00848.95 C ATOM 49283 O3* A B2345 -854.734 -21.636 17.208 1.00848.95 O ATOM 49284 C2* A B2345 -856.531 -21.941 18.842 1.00848.95 C ATOM 49285 O2* A B2345 -857.242 -22.573 17.798 1.00848.95 O ATOM 49286 C1* A B2345 -856.574 -22.801 20.103 1.00848.95 C ATOM 49287 N9 A B2345 -856.591 -21.970 21.308 1.00848.95 N ATOM 49288 C8 A B2345 -855.512 -21.431 21.955 1.00848.95 C ATOM 49289 N7 A B2345 -855.829 -20.704 23.000 1.00848.95 N ATOM 49290 C5 A B2345 -857.212 -20.770 23.042 1.00848.95 C ATOM 49291 C6 A B2345 -858.159 -20.202 23.911 1.00848.95 C ATOM 49292 N6 A B2345 -857.839 -19.424 24.945 1.00848.95 N ATOM 49293 N1 A B2345 -859.464 -20.462 23.671 1.00848.95 N ATOM 49294 C2 A B2345 -859.781 -21.240 22.629 1.00848.95 C ATOM 49295 N3 A B2345 -858.985 -21.829 21.742 1.00848.95 N ATOM 49296 C4 A B2345 -857.698 -21.552 22.007 1.00848.95 C ATOM 49297 P G B2346 -854.563 -20.127 16.682 1.00848.95 P ATOM 49298 O1P G B2346 -854.923 -20.108 15.242 1.00848.95 O ATOM 49299 O2P G B2346 -853.233 -19.628 17.114 1.00848.95 O ATOM 49300 O5* G B2346 -855.680 -19.319 17.481 1.00848.95 O ATOM 49301 C5* G B2346 -857.012 -19.233 16.984 1.00848.95 C ATOM 49302 C4* G B2346 -857.839 -18.318 17.856 1.00848.95 C ATOM 49303 O4* G B2346 -857.894 -18.838 19.213 1.00848.95 O ATOM 49304 C3* G B2346 -857.322 -16.904 18.047 1.00848.95 C ATOM 49305 O3* G B2346 -857.581 -16.052 16.944 1.00848.95 O ATOM 49306 C2* G B2346 -858.030 -16.464 19.324 1.00848.95 C ATOM 49307 O2* G B2346 -859.359 -16.039 19.095 1.00848.95 O ATOM 49308 C1* G B2346 -858.028 -17.762 20.131 1.00848.95 C ATOM 49309 N9 G B2346 -856.886 -17.802 21.037 1.00848.95 N ATOM 49310 C8 G B2346 -855.632 -18.298 20.774 1.00848.95 C ATOM 49311 N7 G B2346 -854.804 -18.155 21.774 1.00848.95 N ATOM 49312 C5 G B2346 -855.560 -17.531 22.757 1.00848.95 C ATOM 49313 C6 G B2346 -855.197 -17.106 24.062 1.00848.95 C ATOM 49314 O6 G B2346 -854.105 -17.205 24.629 1.00848.95 O ATOM 49315 N1 G B2346 -856.272 -16.515 24.723 1.00848.95 N ATOM 49316 C2 G B2346 -857.525 -16.348 24.193 1.00848.95 C ATOM 49317 N2 G B2346 -858.428 -15.754 24.989 1.00848.95 N ATOM 49318 N3 G B2346 -857.874 -16.734 22.980 1.00848.95 N ATOM 49319 C4 G B2346 -856.848 -17.312 22.320 1.00848.95 C ATOM 49320 P C B2347 -856.711 -14.710 16.771 1.00848.95 P ATOM 49321 O1P C B2347 -856.963 -14.177 15.410 1.00848.95 O ATOM 49322 O2P C B2347 -855.318 -15.008 17.200 1.00848.95 O ATOM 49323 O5* C B2347 -857.349 -13.717 17.836 1.00848.95 O ATOM 49324 C5* C B2347 -858.742 -13.421 17.808 1.00848.95 C ATOM 49325 C4* C B2347 -859.129 -12.629 19.030 1.00848.95 C ATOM 49326 O4* C B2347 -858.914 -13.429 20.220 1.00848.95 O ATOM 49327 C3* C B2347 -858.337 -11.368 19.315 1.00848.95 C ATOM 49328 O3* C B2347 -858.790 -10.284 18.519 1.00848.95 O ATOM 49329 C2* C B2347 -858.576 -11.149 20.805 1.00848.95 C ATOM 49330 O2* C B2347 -859.796 -10.485 21.072 1.00848.95 O ATOM 49331 C1* C B2347 -858.640 -12.584 21.324 1.00848.95 C ATOM 49332 N1 C B2347 -857.373 -13.014 21.931 1.00848.95 N ATOM 49333 C2 C B2347 -857.073 -12.605 23.236 1.00848.95 C ATOM 49334 O2 C B2347 -857.896 -11.908 23.849 1.00848.95 O ATOM 49335 N3 C B2347 -855.898 -12.979 23.793 1.00848.95 N ATOM 49336 C4 C B2347 -855.041 -13.733 23.100 1.00848.95 C ATOM 49337 N4 C B2347 -853.888 -14.070 23.685 1.00848.95 N ATOM 49338 C5 C B2347 -855.325 -14.175 21.776 1.00848.95 C ATOM 49339 C6 C B2347 -856.491 -13.795 21.236 1.00848.95 C ATOM 49340 P A B2348 -857.748 -9.137 18.088 1.00848.95 P ATOM 49341 O1P A B2348 -858.507 -8.085 17.369 1.00848.95 O ATOM 49342 O2P A B2348 -856.586 -9.787 17.427 1.00848.95 O ATOM 49343 O5* A B2348 -857.259 -8.538 19.479 1.00848.95 O ATOM 49344 C5* A B2348 -857.929 -7.429 20.060 1.00848.95 C ATOM 49345 C4* A B2348 -856.998 -6.673 20.982 1.00848.95 C ATOM 49346 O4* A B2348 -856.857 -7.385 22.240 1.00848.95 O ATOM 49347 C3* A B2348 -855.563 -6.496 20.496 1.00848.95 C ATOM 49348 O3* A B2348 -855.386 -5.448 19.552 1.00848.95 O ATOM 49349 C2* A B2348 -854.815 -6.247 21.796 1.00848.95 C ATOM 49350 O2* A B2348 -854.922 -4.910 22.240 1.00848.95 O ATOM 49351 C1* A B2348 -855.555 -7.173 22.763 1.00848.95 C ATOM 49352 N9 A B2348 -854.884 -8.465 22.876 1.00848.95 N ATOM 49353 C8 A B2348 -855.283 -9.683 22.376 1.00848.95 C ATOM 49354 N7 A B2348 -854.441 -10.657 22.620 1.00848.95 N ATOM 49355 C5 A B2348 -853.420 -10.043 23.332 1.00848.95 C ATOM 49356 C6 A B2348 -852.222 -10.532 23.883 1.00848.95 C ATOM 49357 N6 A B2348 -851.829 -11.805 23.796 1.00848.95 N ATOM 49358 N1 A B2348 -851.426 -9.654 24.534 1.00848.95 N ATOM 49359 C2 A B2348 -851.816 -8.378 24.619 1.00848.95 C ATOM 49360 N3 A B2348 -852.915 -7.799 24.141 1.00848.95 N ATOM 49361 C4 A B2348 -853.683 -8.697 23.503 1.00848.95 C ATOM 49362 P G B2349 -854.128 -5.492 18.558 1.00848.95 P ATOM 49363 O1P G B2349 -854.512 -4.799 17.303 1.00848.95 O ATOM 49364 O2P G B2349 -853.637 -6.898 18.498 1.00848.95 O ATOM 49365 O5* G B2349 -853.028 -4.616 19.302 1.00848.95 O ATOM 49366 C5* G B2349 -853.403 -3.453 20.034 1.00848.95 C ATOM 49367 C4* G B2349 -852.422 -3.197 21.153 1.00848.95 C ATOM 49368 O4* G B2349 -852.404 -4.314 22.071 1.00848.95 O ATOM 49369 C3* G B2349 -850.971 -3.040 20.713 1.00848.95 C ATOM 49370 O3* G B2349 -850.704 -1.711 20.282 1.00848.95 O ATOM 49371 C2* G B2349 -850.197 -3.413 21.972 1.00848.95 C ATOM 49372 O2* G B2349 -850.075 -2.334 22.877 1.00848.95 O ATOM 49373 C1* G B2349 -851.097 -4.490 22.586 1.00848.95 C ATOM 49374 N9 G B2349 -850.661 -5.849 22.286 1.00848.95 N ATOM 49375 C8 G B2349 -851.327 -6.792 21.541 1.00848.95 C ATOM 49376 N7 G B2349 -850.687 -7.926 21.460 1.00848.95 N ATOM 49377 C5 G B2349 -849.530 -7.719 22.193 1.00848.95 C ATOM 49378 C6 G B2349 -848.448 -8.596 22.469 1.00848.95 C ATOM 49379 O6 G B2349 -848.297 -9.767 22.107 1.00848.95 O ATOM 49380 N1 G B2349 -847.474 -7.979 23.246 1.00848.95 N ATOM 49381 C2 G B2349 -847.532 -6.689 23.710 1.00848.95 C ATOM 49382 N2 G B2349 -846.490 -6.275 24.447 1.00848.95 N ATOM 49383 N3 G B2349 -848.539 -5.863 23.465 1.00848.95 N ATOM 49384 C4 G B2349 -849.494 -6.441 22.706 1.00848.95 C ATOM 49385 P G B2350 -850.319 -1.440 18.746 1.00848.95 P ATOM 49386 O1P G B2350 -851.490 -0.800 18.095 1.00848.95 O ATOM 49387 O2P G B2350 -849.752 -2.692 18.178 1.00848.95 O ATOM 49388 O5* G B2350 -849.150 -0.361 18.841 1.00848.95 O ATOM 49389 C5* G B2350 -847.795 -0.724 18.609 1.00848.95 C ATOM 49390 C4* G B2350 -847.144 -1.131 19.909 1.00848.95 C ATOM 49391 O4* G B2350 -847.899 -2.215 20.514 1.00848.95 O ATOM 49392 C3* G B2350 -845.757 -1.693 19.732 1.00848.95 C ATOM 49393 O3* G B2350 -844.786 -0.659 19.675 1.00848.95 O ATOM 49394 C2* G B2350 -845.586 -2.596 20.946 1.00848.95 C ATOM 49395 O2* G B2350 -845.181 -1.887 22.099 1.00848.95 O ATOM 49396 C1* G B2350 -847.008 -3.128 21.137 1.00848.95 C ATOM 49397 N9 G B2350 -847.197 -4.432 20.509 1.00848.95 N ATOM 49398 C8 G B2350 -848.151 -4.769 19.582 1.00848.95 C ATOM 49399 N7 G B2350 -848.060 -6.009 19.183 1.00848.95 N ATOM 49400 C5 G B2350 -846.983 -6.523 19.890 1.00848.95 C ATOM 49401 C6 G B2350 -846.410 -7.817 19.876 1.00848.95 C ATOM 49402 O6 G B2350 -846.745 -8.802 19.209 1.00848.95 O ATOM 49403 N1 G B2350 -845.334 -7.910 20.755 1.00848.95 N ATOM 49404 C2 G B2350 -844.871 -6.886 21.545 1.00848.95 C ATOM 49405 N2 G B2350 -843.820 -7.173 22.327 1.00848.95 N ATOM 49406 N3 G B2350 -845.395 -5.675 21.566 1.00848.95 N ATOM 49407 C4 G B2350 -846.443 -5.562 20.721 1.00848.95 C ATOM 49408 P G B2351 -843.427 -0.894 18.851 1.00848.95 P ATOM 49409 O1P G B2351 -842.319 -0.276 19.621 1.00848.95 O ATOM 49410 O2P G B2351 -843.663 -0.483 17.444 1.00848.95 O ATOM 49411 O5* G B2351 -843.246 -2.476 18.885 1.00848.95 O ATOM 49412 C5* G B2351 -842.243 -3.112 18.104 1.00848.95 C ATOM 49413 C4* G B2351 -841.510 -4.136 18.934 1.00848.95 C ATOM 49414 O4* G B2351 -842.445 -5.090 19.494 1.00848.95 O ATOM 49415 C3* G B2351 -840.471 -5.001 18.219 1.00848.95 C ATOM 49416 O3* G B2351 -839.221 -4.339 18.048 1.00848.95 O ATOM 49417 C2* G B2351 -840.379 -6.225 19.121 1.00848.95 C ATOM 49418 O2* G B2351 -839.516 -6.026 20.221 1.00848.95 O ATOM 49419 C1* G B2351 -841.820 -6.353 19.627 1.00848.95 C ATOM 49420 N9 G B2351 -842.625 -7.330 18.896 1.00848.95 N ATOM 49421 C8 G B2351 -843.651 -7.057 18.026 1.00848.95 C ATOM 49422 N7 G B2351 -844.209 -8.132 17.536 1.00848.95 N ATOM 49423 C5 G B2351 -843.505 -9.179 18.112 1.00848.95 C ATOM 49424 C6 G B2351 -843.658 -10.583 17.961 1.00848.95 C ATOM 49425 O6 G B2351 -844.474 -11.198 17.268 1.00848.95 O ATOM 49426 N1 G B2351 -842.735 -11.283 18.728 1.00848.95 N ATOM 49427 C2 G B2351 -841.785 -10.712 19.539 1.00848.95 C ATOM 49428 N2 G B2351 -840.991 -11.570 20.200 1.00848.95 N ATOM 49429 N3 G B2351 -841.632 -9.406 19.692 1.00848.95 N ATOM 49430 C4 G B2351 -842.518 -8.703 18.955 1.00848.95 C ATOM 49431 P A B2352 -838.197 -4.849 16.924 1.00848.95 P ATOM 49432 O1P A B2352 -836.943 -4.072 17.081 1.00848.95 O ATOM 49433 O2P A B2352 -838.899 -4.858 15.617 1.00848.95 O ATOM 49434 O5* A B2352 -837.902 -6.358 17.345 1.00848.95 O ATOM 49435 C5* A B2352 -837.093 -6.649 18.479 1.00848.95 C ATOM 49436 C4* A B2352 -836.530 -8.043 18.367 1.00848.95 C ATOM 49437 O4* A B2352 -837.514 -9.016 18.796 1.00848.95 O ATOM 49438 C3* A B2352 -836.172 -8.479 16.947 1.00848.95 C ATOM 49439 O3* A B2352 -834.915 -8.003 16.475 1.00848.95 O ATOM 49440 C2* A B2352 -836.230 -9.997 17.042 1.00848.95 C ATOM 49441 O2* A B2352 -835.038 -10.560 17.554 1.00848.95 O ATOM 49442 C1* A B2352 -837.368 -10.208 18.045 1.00848.95 C ATOM 49443 N9 A B2352 -838.654 -10.509 17.416 1.00848.95 N ATOM 49444 C8 A B2352 -839.565 -9.621 16.905 1.00848.95 C ATOM 49445 N7 A B2352 -840.642 -10.191 16.414 1.00848.95 N ATOM 49446 C5 A B2352 -840.419 -11.547 16.616 1.00848.95 C ATOM 49447 C6 A B2352 -841.192 -12.685 16.321 1.00848.95 C ATOM 49448 N6 A B2352 -842.390 -12.636 15.733 1.00848.95 N ATOM 49449 N1 A B2352 -840.681 -13.891 16.649 1.00848.95 N ATOM 49450 C2 A B2352 -839.477 -13.940 17.242 1.00848.95 C ATOM 49451 N3 A B2352 -838.662 -12.942 17.572 1.00848.95 N ATOM 49452 C4 A B2352 -839.198 -11.759 17.229 1.00848.95 C ATOM 49453 P G B2353 -834.674 -7.841 14.896 1.00848.95 P ATOM 49454 O1P G B2353 -833.449 -7.023 14.714 1.00848.95 O ATOM 49455 O2P G B2353 -835.946 -7.405 14.268 1.00848.95 O ATOM 49456 O5* G B2353 -834.357 -9.322 14.411 1.00848.95 O ATOM 49457 C5* G B2353 -833.368 -10.111 15.064 1.00848.95 C ATOM 49458 C4* G B2353 -833.560 -11.566 14.720 1.00848.95 C ATOM 49459 O4* G B2353 -834.789 -12.055 15.310 1.00848.95 O ATOM 49460 C3* G B2353 -833.696 -11.938 13.251 1.00848.95 C ATOM 49461 O3* G B2353 -832.434 -11.984 12.600 1.00848.95 O ATOM 49462 C2* G B2353 -834.397 -13.290 13.308 1.00848.95 C ATOM 49463 O2* G B2353 -833.498 -14.362 13.514 1.00848.95 O ATOM 49464 C1* G B2353 -835.297 -13.129 14.535 1.00848.95 C ATOM 49465 N9 G B2353 -836.691 -12.832 14.216 1.00848.95 N ATOM 49466 C8 G B2353 -837.320 -11.614 14.320 1.00848.95 C ATOM 49467 N7 G B2353 -838.578 -11.656 13.978 1.00848.95 N ATOM 49468 C5 G B2353 -838.795 -12.979 13.623 1.00848.95 C ATOM 49469 C6 G B2353 -839.972 -13.628 13.170 1.00848.95 C ATOM 49470 O6 G B2353 -841.098 -13.145 12.988 1.00848.95 O ATOM 49471 N1 G B2353 -839.749 -14.976 12.920 1.00848.95 N ATOM 49472 C2 G B2353 -838.551 -15.624 13.085 1.00848.95 C ATOM 49473 N2 G B2353 -838.540 -16.932 12.788 1.00848.95 N ATOM 49474 N3 G B2353 -837.444 -15.033 13.510 1.00848.95 N ATOM 49475 C4 G B2353 -837.639 -13.720 13.760 1.00848.95 C ATOM 49476 P G B2354 -832.269 -11.349 11.134 1.00848.95 P ATOM 49477 O1P G B2354 -830.943 -11.760 10.607 1.00848.95 O ATOM 49478 O2P G B2354 -832.611 -9.904 11.210 1.00848.95 O ATOM 49479 O5* G B2354 -833.390 -12.080 10.279 1.00848.95 O ATOM 49480 C5* G B2354 -833.335 -13.485 10.050 1.00848.95 C ATOM 49481 C4* G B2354 -834.686 -13.986 9.601 1.00848.95 C ATOM 49482 O4* G B2354 -835.664 -13.740 10.646 1.00848.95 O ATOM 49483 C3* G B2354 -835.290 -13.330 8.380 1.00848.95 C ATOM 49484 O3* G B2354 -834.732 -13.887 7.197 1.00848.95 O ATOM 49485 C2* G B2354 -836.777 -13.604 8.547 1.00848.95 C ATOM 49486 O2* G B2354 -837.150 -14.891 8.103 1.00848.95 O ATOM 49487 C1* G B2354 -836.935 -13.506 10.064 1.00848.95 C ATOM 49488 N9 G B2354 -837.366 -12.173 10.474 1.00848.95 N ATOM 49489 C8 G B2354 -836.564 -11.146 10.899 1.00848.95 C ATOM 49490 N7 G B2354 -837.228 -10.055 11.175 1.00848.95 N ATOM 49491 C5 G B2354 -838.553 -10.385 10.919 1.00848.95 C ATOM 49492 C6 G B2354 -839.731 -9.607 11.031 1.00848.95 C ATOM 49493 O6 G B2354 -839.847 -8.428 11.389 1.00848.95 O ATOM 49494 N1 G B2354 -840.859 -10.337 10.673 1.00848.95 N ATOM 49495 C2 G B2354 -840.855 -11.648 10.259 1.00848.95 C ATOM 49496 N2 G B2354 -842.049 -12.177 9.960 1.00848.95 N ATOM 49497 N3 G B2354 -839.762 -12.381 10.148 1.00848.95 N ATOM 49498 C4 G B2354 -838.654 -11.694 10.491 1.00848.95 C ATOM 49499 P A B2355 -834.658 -12.986 5.870 1.00848.95 P ATOM 49500 O1P A B2355 -834.368 -13.885 4.726 1.00848.95 O ATOM 49501 O2P A B2355 -833.759 -11.834 6.144 1.00848.95 O ATOM 49502 O5* A B2355 -836.143 -12.436 5.717 1.00848.95 O ATOM 49503 C5* A B2355 -836.396 -11.092 5.317 1.00848.95 C ATOM 49504 C4* A B2355 -837.475 -11.069 4.264 1.00848.95 C ATOM 49505 O4* A B2355 -837.037 -11.836 3.113 1.00848.95 O ATOM 49506 C3* A B2355 -838.798 -11.697 4.685 1.00848.95 C ATOM 49507 O3* A B2355 -839.637 -10.758 5.351 1.00848.95 O ATOM 49508 C2* A B2355 -839.391 -12.156 3.357 1.00848.95 C ATOM 49509 O2* A B2355 -840.064 -11.112 2.684 1.00848.95 O ATOM 49510 C1* A B2355 -838.135 -12.539 2.564 1.00848.95 C ATOM 49511 N9 A B2355 -837.828 -13.968 2.600 1.00848.95 N ATOM 49512 C8 A B2355 -837.035 -14.642 3.497 1.00848.95 C ATOM 49513 N7 A B2355 -836.954 -15.932 3.267 1.00848.95 N ATOM 49514 C5 A B2355 -837.743 -16.116 2.141 1.00848.95 C ATOM 49515 C6 A B2355 -838.074 -17.259 1.393 1.00848.95 C ATOM 49516 N6 A B2355 -837.614 -18.483 1.667 1.00848.95 N ATOM 49517 N1 A B2355 -838.896 -17.099 0.337 1.00848.95 N ATOM 49518 C2 A B2355 -839.343 -15.870 0.053 1.00848.95 C ATOM 49519 N3 A B2355 -839.100 -14.724 0.673 1.00848.95 N ATOM 49520 C4 A B2355 -838.289 -14.916 1.724 1.00848.95 C ATOM 49521 P A B2356 -840.216 -11.096 6.815 1.00848.95 P ATOM 49522 O1P A B2356 -840.716 -9.820 7.389 1.00848.95 O ATOM 49523 O2P A B2356 -839.211 -11.891 7.561 1.00848.95 O ATOM 49524 O5* A B2356 -841.480 -12.025 6.544 1.00848.95 O ATOM 49525 C5* A B2356 -842.430 -11.670 5.556 1.00848.95 C ATOM 49526 C4* A B2356 -842.920 -12.900 4.837 1.00848.95 C ATOM 49527 O4* A B2356 -841.810 -13.513 4.138 1.00848.95 O ATOM 49528 C3* A B2356 -843.482 -13.970 5.743 1.00848.95 C ATOM 49529 O3* A B2356 -844.869 -13.756 5.955 1.00848.95 O ATOM 49530 C2* A B2356 -843.222 -15.249 4.948 1.00848.95 C ATOM 49531 O2* A B2356 -844.217 -15.488 3.971 1.00848.95 O ATOM 49532 C1* A B2356 -841.909 -14.918 4.234 1.00848.95 C ATOM 49533 N9 A B2356 -840.705 -15.400 4.894 1.00848.95 N ATOM 49534 C8 A B2356 -839.938 -14.723 5.809 1.00848.95 C ATOM 49535 N7 A B2356 -838.906 -15.399 6.237 1.00848.95 N ATOM 49536 C5 A B2356 -838.996 -16.606 5.557 1.00848.95 C ATOM 49537 C6 A B2356 -838.193 -17.760 5.576 1.00848.95 C ATOM 49538 N6 A B2356 -837.103 -17.891 6.335 1.00848.95 N ATOM 49539 N1 A B2356 -838.552 -18.784 4.778 1.00848.95 N ATOM 49540 C2 A B2356 -839.643 -18.651 4.016 1.00848.95 C ATOM 49541 N3 A B2356 -840.482 -17.622 3.919 1.00848.95 N ATOM 49542 C4 A B2356 -840.095 -16.619 4.725 1.00848.95 C ATOM 49543 P A B2357 -845.534 -14.212 7.337 1.00848.95 P ATOM 49544 O1P A B2357 -846.987 -13.939 7.247 1.00848.95 O ATOM 49545 O2P A B2357 -844.740 -13.619 8.441 1.00848.95 O ATOM 49546 O5* A B2357 -845.315 -15.787 7.347 1.00848.95 O ATOM 49547 C5* A B2357 -845.998 -16.620 6.418 1.00848.95 C ATOM 49548 C4* A B2357 -845.350 -17.981 6.378 1.00848.95 C ATOM 49549 O4* A B2357 -843.959 -17.847 5.992 1.00848.95 O ATOM 49550 C3* A B2357 -845.324 -18.708 7.707 1.00848.95 C ATOM 49551 O3* A B2357 -846.532 -19.432 7.879 1.00848.95 O ATOM 49552 C2* A B2357 -844.112 -19.616 7.577 1.00848.95 C ATOM 49553 O2* A B2357 -844.417 -20.804 6.878 1.00848.95 O ATOM 49554 C1* A B2357 -843.170 -18.756 6.734 1.00848.95 C ATOM 49555 N9 A B2357 -842.189 -17.991 7.501 1.00848.95 N ATOM 49556 C8 A B2357 -842.322 -16.706 7.974 1.00848.95 C ATOM 49557 N7 A B2357 -841.274 -16.274 8.632 1.00848.95 N ATOM 49558 C5 A B2357 -840.389 -17.343 8.588 1.00848.95 C ATOM 49559 C6 A B2357 -839.094 -17.519 9.104 1.00848.95 C ATOM 49560 N6 A B2357 -838.439 -16.586 9.796 1.00848.95 N ATOM 49561 N1 A B2357 -838.483 -18.705 8.881 1.00848.95 N ATOM 49562 C2 A B2357 -839.141 -19.641 8.189 1.00848.95 C ATOM 49563 N3 A B2357 -840.360 -19.596 7.658 1.00848.95 N ATOM 49564 C4 A B2357 -840.939 -18.406 7.893 1.00848.95 C ATOM 49565 P C B2358 -847.383 -19.243 9.228 1.00848.95 P ATOM 49566 O1P C B2358 -848.661 -19.976 9.051 1.00848.95 O ATOM 49567 O2P C B2358 -847.405 -17.792 9.544 1.00848.95 O ATOM 49568 O5* C B2358 -846.520 -19.987 10.345 1.00848.95 O ATOM 49569 C5* C B2358 -846.095 -21.336 10.165 1.00848.95 C ATOM 49570 C4* C B2358 -844.793 -21.581 10.894 1.00848.95 C ATOM 49571 O4* C B2358 -843.771 -20.727 10.315 1.00848.95 O ATOM 49572 C3* C B2358 -844.813 -21.192 12.347 1.00848.95 C ATOM 49573 O3* C B2358 -845.268 -22.295 13.124 1.00848.95 O ATOM 49574 C2* C B2358 -843.356 -20.878 12.649 1.00848.95 C ATOM 49575 O2* C B2358 -842.596 -22.039 12.923 1.00848.95 O ATOM 49576 C1* C B2358 -842.895 -20.265 11.326 1.00848.95 C ATOM 49577 N1 C B2358 -842.975 -18.798 11.375 1.00848.95 N ATOM 49578 C2 C B2358 -841.853 -18.075 11.780 1.00848.95 C ATOM 49579 O2 C B2358 -840.810 -18.689 12.053 1.00848.95 O ATOM 49580 N3 C B2358 -841.931 -16.728 11.862 1.00848.95 N ATOM 49581 C4 C B2358 -843.072 -16.104 11.557 1.00848.95 C ATOM 49582 N4 C B2358 -843.112 -14.775 11.666 1.00848.95 N ATOM 49583 C5 C B2358 -844.227 -16.819 11.122 1.00848.95 C ATOM 49584 C6 C B2358 -844.134 -18.149 11.044 1.00848.95 C ATOM 49585 P U B2359 -846.100 -22.021 14.473 1.00848.95 P ATOM 49586 O1P U B2359 -846.630 -23.327 14.936 1.00848.95 O ATOM 49587 O2P U B2359 -847.037 -20.898 14.225 1.00848.95 O ATOM 49588 O5* U B2359 -845.002 -21.534 15.523 1.00848.95 O ATOM 49589 C5* U B2359 -844.135 -22.471 16.153 1.00848.95 C ATOM 49590 C4* U B2359 -843.143 -21.767 17.056 1.00848.95 C ATOM 49591 O4* U B2359 -842.248 -20.945 16.261 1.00848.95 O ATOM 49592 C3* U B2359 -843.718 -20.799 18.077 1.00848.95 C ATOM 49593 O3* U B2359 -844.166 -21.461 19.253 1.00848.95 O ATOM 49594 C2* U B2359 -842.529 -19.899 18.382 1.00848.95 C ATOM 49595 O2* U B2359 -841.649 -20.474 19.324 1.00848.95 O ATOM 49596 C1* U B2359 -841.836 -19.823 17.020 1.00848.95 C ATOM 49597 N1 U B2359 -842.215 -18.596 16.305 1.00848.95 N ATOM 49598 C2 U B2359 -841.515 -17.443 16.595 1.00848.95 C ATOM 49599 O2 U B2359 -840.581 -17.417 17.381 1.00848.95 O ATOM 49600 N3 U B2359 -841.942 -16.321 15.929 1.00848.95 N ATOM 49601 C4 U B2359 -842.977 -16.240 15.020 1.00848.95 C ATOM 49602 O4 U B2359 -843.263 -15.149 14.530 1.00848.95 O ATOM 49603 C5 U B2359 -843.639 -17.481 14.761 1.00848.95 C ATOM 49604 C6 U B2359 -843.246 -18.588 15.393 1.00848.95 C ATOM 49605 P C B2360 -845.240 -20.734 20.204 1.00848.95 P ATOM 49606 O1P C B2360 -845.690 -21.727 21.213 1.00848.95 O ATOM 49607 O2P C B2360 -846.243 -20.061 19.339 1.00848.95 O ATOM 49608 O5* C B2360 -844.402 -19.605 20.959 1.00848.95 O ATOM 49609 C5* C B2360 -843.249 -19.940 21.730 1.00848.95 C ATOM 49610 C4* C B2360 -842.421 -18.707 22.024 1.00848.95 C ATOM 49611 O4* C B2360 -841.959 -18.117 20.783 1.00848.95 O ATOM 49612 C3* C B2360 -843.136 -17.571 22.738 1.00848.95 C ATOM 49613 O3* C B2360 -843.120 -17.776 24.149 1.00848.95 O ATOM 49614 C2* C B2360 -842.306 -16.350 22.346 1.00848.95 C ATOM 49615 O2* C B2360 -841.179 -16.176 23.183 1.00848.95 O ATOM 49616 C1* C B2360 -841.840 -16.711 20.934 1.00848.95 C ATOM 49617 N1 C B2360 -842.612 -16.060 19.867 1.00848.95 N ATOM 49618 C2 C B2360 -842.219 -14.788 19.417 1.00848.95 C ATOM 49619 O2 C B2360 -841.234 -14.239 19.935 1.00848.95 O ATOM 49620 N3 C B2360 -842.925 -14.190 18.430 1.00848.95 N ATOM 49621 C4 C B2360 -843.982 -14.806 17.896 1.00848.95 C ATOM 49622 N4 C B2360 -844.647 -14.179 16.925 1.00848.95 N ATOM 49623 C5 C B2360 -844.402 -16.098 18.333 1.00848.95 C ATOM 49624 C6 C B2360 -843.697 -16.683 19.309 1.00848.95 C ATOM 49625 P G B2361 -844.141 -18.822 24.816 1.00848.95 P ATOM 49626 O1P G B2361 -843.417 -20.105 25.005 1.00848.95 O ATOM 49627 O2P G B2361 -845.403 -18.802 24.034 1.00848.95 O ATOM 49628 O5* G B2361 -844.445 -18.207 26.254 1.00848.95 O ATOM 49629 C5* G B2361 -843.461 -17.459 26.975 1.00848.95 C ATOM 49630 C4* G B2361 -843.956 -17.186 28.373 1.00848.95 C ATOM 49631 O4* G B2361 -845.284 -16.622 28.279 1.00848.95 O ATOM 49632 C3* G B2361 -844.099 -18.439 29.259 1.00848.95 C ATOM 49633 O3* G B2361 -842.923 -18.697 30.032 1.00848.95 O ATOM 49634 C2* G B2361 -845.254 -18.066 30.190 1.00848.95 C ATOM 49635 O2* G B2361 -844.831 -17.353 31.332 1.00848.95 O ATOM 49636 C1* G B2361 -846.101 -17.144 29.306 1.00848.95 C ATOM 49637 N9 G B2361 -847.291 -17.729 28.700 1.00848.95 N ATOM 49638 C8 G B2361 -847.464 -19.009 28.231 1.00848.95 C ATOM 49639 N7 G B2361 -848.643 -19.207 27.705 1.00848.95 N ATOM 49640 C5 G B2361 -849.287 -17.987 27.843 1.00848.95 C ATOM 49641 C6 G B2361 -850.590 -17.579 27.447 1.00848.95 C ATOM 49642 O6 G B2361 -851.466 -18.240 26.875 1.00848.95 O ATOM 49643 N1 G B2361 -850.831 -16.248 27.776 1.00848.95 N ATOM 49644 C2 G B2361 -849.936 -15.416 28.405 1.00848.95 C ATOM 49645 N2 G B2361 -850.352 -14.166 28.637 1.00848.95 N ATOM 49646 N3 G B2361 -848.724 -15.782 28.775 1.00848.95 N ATOM 49647 C4 G B2361 -848.469 -17.069 28.464 1.00848.95 C ATOM 49648 P G B2362 -842.159 -20.104 29.896 1.00848.95 P ATOM 49649 O1P G B2362 -843.128 -21.118 29.410 1.00848.95 O ATOM 49650 O2P G B2362 -841.427 -20.335 31.169 1.00848.95 O ATOM 49651 O5* G B2362 -841.081 -19.846 28.753 1.00848.95 O ATOM 49652 C5* G B2362 -840.093 -18.826 28.891 1.00848.95 C ATOM 49653 C4* G B2362 -838.723 -19.399 28.628 1.00848.95 C ATOM 49654 O4* G B2362 -837.716 -18.661 29.365 1.00848.95 O ATOM 49655 C3* G B2362 -838.536 -20.861 29.046 1.00848.95 C ATOM 49656 O3* G B2362 -839.008 -21.755 28.037 1.00848.95 O ATOM 49657 C2* G B2362 -837.026 -20.942 29.265 1.00848.95 C ATOM 49658 O2* G B2362 -836.310 -21.151 28.065 1.00848.95 O ATOM 49659 C1* G B2362 -836.702 -19.548 29.800 1.00848.95 C ATOM 49660 N9 G B2362 -836.591 -19.445 31.254 1.00848.95 N ATOM 49661 C8 G B2362 -837.578 -19.685 32.180 1.00848.95 C ATOM 49662 N7 G B2362 -837.189 -19.487 33.412 1.00848.95 N ATOM 49663 C5 G B2362 -835.861 -19.097 33.292 1.00848.95 C ATOM 49664 C6 G B2362 -834.913 -18.745 34.291 1.00848.95 C ATOM 49665 O6 G B2362 -835.061 -18.701 35.523 1.00848.95 O ATOM 49666 N1 G B2362 -833.680 -18.417 33.734 1.00848.95 N ATOM 49667 C2 G B2362 -833.397 -18.423 32.391 1.00848.95 C ATOM 49668 N2 G B2362 -832.144 -18.076 32.053 1.00848.95 N ATOM 49669 N3 G B2362 -834.269 -18.745 31.450 1.00848.95 N ATOM 49670 C4 G B2362 -835.476 -19.069 31.969 1.00848.95 C ATOM 49671 P G B2363 -840.175 -22.794 28.382 1.00848.95 P ATOM 49672 O1P G B2363 -841.412 -22.342 27.692 1.00848.95 O ATOM 49673 O2P G B2363 -840.191 -23.013 29.851 1.00848.95 O ATOM 49674 O5* G B2363 -839.666 -24.120 27.666 1.00848.95 O ATOM 49675 C5* G B2363 -839.107 -24.112 26.364 1.00848.95 C ATOM 49676 C4* G B2363 -837.623 -24.352 26.462 1.00848.95 C ATOM 49677 O4* G B2363 -837.070 -23.497 27.485 1.00848.95 O ATOM 49678 C3* G B2363 -837.198 -25.770 26.826 1.00848.95 C ATOM 49679 O3* G B2363 -837.099 -26.488 25.597 1.00848.95 O ATOM 49680 C2* G B2363 -835.845 -25.555 27.513 1.00848.95 C ATOM 49681 O2* G B2363 -834.770 -25.541 26.600 1.00848.95 O ATOM 49682 C1* G B2363 -835.997 -24.152 28.122 1.00848.95 C ATOM 49683 N9 G B2363 -836.223 -24.038 29.559 1.00848.95 N ATOM 49684 C8 G B2363 -837.440 -24.147 30.186 1.00848.95 C ATOM 49685 N7 G B2363 -837.379 -23.929 31.470 1.00848.95 N ATOM 49686 C5 G B2363 -836.040 -23.672 31.712 1.00848.95 C ATOM 49687 C6 G B2363 -835.382 -23.359 32.919 1.00848.95 C ATOM 49688 O6 G B2363 -835.871 -23.232 34.051 1.00848.95 O ATOM 49689 N1 G B2363 -834.016 -23.182 32.726 1.00848.95 N ATOM 49690 C2 G B2363 -833.369 -23.288 31.521 1.00848.95 C ATOM 49691 N2 G B2363 -832.044 -23.091 31.550 1.00848.95 N ATOM 49692 N3 G B2363 -833.976 -23.573 30.376 1.00848.95 N ATOM 49693 C4 G B2363 -835.305 -23.752 30.545 1.00848.95 C ATOM 49694 P C B2364 -836.409 -27.938 25.546 1.00848.95 P ATOM 49695 O1P C B2364 -834.938 -27.762 25.557 1.00848.95 O ATOM 49696 O2P C B2364 -837.051 -28.697 24.438 1.00848.95 O ATOM 49697 O5* C B2364 -836.844 -28.623 26.913 1.00848.95 O ATOM 49698 C5* C B2364 -836.694 -30.027 27.114 1.00848.95 C ATOM 49699 C4* C B2364 -838.020 -30.632 27.492 1.00848.95 C ATOM 49700 O4* C B2364 -838.062 -32.033 27.132 1.00848.95 O ATOM 49701 C3* C B2364 -838.339 -30.598 28.965 1.00848.95 C ATOM 49702 O3* C B2364 -838.869 -29.337 29.329 1.00848.95 O ATOM 49703 C2* C B2364 -839.319 -31.748 29.133 1.00848.95 C ATOM 49704 O2* C B2364 -840.639 -31.373 28.797 1.00848.95 O ATOM 49705 C1* C B2364 -838.781 -32.760 28.114 1.00848.95 C ATOM 49706 N1 C B2364 -837.863 -33.729 28.731 1.00848.95 N ATOM 49707 C2 C B2364 -838.393 -34.849 29.373 1.00848.95 C ATOM 49708 O2 C B2364 -839.624 -34.995 29.394 1.00848.95 O ATOM 49709 N3 C B2364 -837.560 -35.741 29.952 1.00848.95 N ATOM 49710 C4 C B2364 -836.241 -35.547 29.906 1.00848.95 C ATOM 49711 N4 C B2364 -835.453 -36.450 30.494 1.00848.95 N ATOM 49712 C5 C B2364 -835.669 -34.412 29.255 1.00848.95 C ATOM 49713 C6 C B2364 -836.509 -33.539 28.685 1.00848.95 C ATOM 49714 P U B2365 -838.715 -28.830 30.842 1.00848.95 P ATOM 49715 O1P U B2365 -839.173 -27.418 30.886 1.00848.95 O ATOM 49716 O2P U B2365 -837.358 -29.178 31.324 1.00848.95 O ATOM 49717 O5* U B2365 -839.756 -29.728 31.639 1.00848.95 O ATOM 49718 C5* U B2365 -841.138 -29.571 31.407 1.00848.95 C ATOM 49719 C4* U B2365 -841.910 -30.749 31.941 1.00848.95 C ATOM 49720 O4* U B2365 -841.484 -31.988 31.336 1.00848.95 O ATOM 49721 C3* U B2365 -841.821 -30.984 33.435 1.00848.95 C ATOM 49722 O3* U B2365 -842.709 -30.125 34.135 1.00848.95 O ATOM 49723 C2* U B2365 -842.212 -32.454 33.562 1.00848.95 C ATOM 49724 O2* U B2365 -843.610 -32.628 33.608 1.00848.95 O ATOM 49725 C1* U B2365 -841.650 -33.045 32.264 1.00848.95 C ATOM 49726 N1 U B2365 -840.340 -33.683 32.445 1.00848.95 N ATOM 49727 C2 U B2365 -840.296 -35.059 32.554 1.00848.95 C ATOM 49728 O2 U B2365 -841.290 -35.761 32.483 1.00848.95 O ATOM 49729 N3 U B2365 -839.039 -35.580 32.736 1.00848.95 N ATOM 49730 C4 U B2365 -837.852 -34.877 32.813 1.00848.95 C ATOM 49731 O4 U B2365 -836.799 -35.482 32.999 1.00848.95 O ATOM 49732 C5 U B2365 -837.989 -33.459 32.685 1.00848.95 C ATOM 49733 C6 U B2365 -839.198 -32.923 32.512 1.00848.95 C ATOM 49734 P U B2366 -842.414 -29.761 35.663 1.00848.95 P ATOM 49735 O1P U B2366 -843.409 -28.745 36.087 1.00848.95 O ATOM 49736 O2P U B2366 -840.964 -29.473 35.801 1.00848.95 O ATOM 49737 O5* U B2366 -842.741 -31.121 36.406 1.00848.95 O ATOM 49738 C5* U B2366 -844.077 -31.605 36.468 1.00848.95 C ATOM 49739 C4* U B2366 -844.102 -32.986 37.061 1.00848.95 C ATOM 49740 O4* U B2366 -843.394 -33.917 36.205 1.00848.95 O ATOM 49741 C3* U B2366 -843.397 -33.059 38.411 1.00848.95 C ATOM 49742 O3* U B2366 -844.202 -32.675 39.513 1.00848.95 O ATOM 49743 C2* U B2366 -842.965 -34.517 38.476 1.00848.95 C ATOM 49744 O2* U B2366 -844.009 -35.357 38.914 1.00848.95 O ATOM 49745 C1* U B2366 -842.649 -34.818 37.005 1.00848.95 C ATOM 49746 N1 U B2366 -841.226 -34.677 36.672 1.00848.95 N ATOM 49747 C2 U B2366 -840.484 -35.833 36.549 1.00848.95 C ATOM 49748 O2 U B2366 -840.965 -36.943 36.693 1.00848.95 O ATOM 49749 N3 U B2366 -839.156 -35.642 36.251 1.00848.95 N ATOM 49750 C4 U B2366 -838.512 -34.437 36.065 1.00848.95 C ATOM 49751 O4 U B2366 -837.305 -34.428 35.813 1.00848.95 O ATOM 49752 C5 U B2366 -839.350 -33.286 36.202 1.00848.95 C ATOM 49753 C6 U B2366 -840.647 -33.441 36.493 1.00848.95 C ATOM 49754 P A B2367 -843.522 -31.952 40.771 1.00848.95 P ATOM 49755 O1P A B2367 -844.419 -32.140 41.939 1.00848.95 O ATOM 49756 O2P A B2367 -843.127 -30.582 40.359 1.00848.95 O ATOM 49757 O5* A B2367 -842.192 -32.799 41.013 1.00848.95 O ATOM 49758 C5* A B2367 -840.913 -32.215 40.795 1.00848.95 C ATOM 49759 C4* A B2367 -840.020 -32.447 41.995 1.00848.95 C ATOM 49760 O4* A B2367 -839.341 -33.720 41.879 1.00848.95 O ATOM 49761 C3* A B2367 -838.904 -31.428 42.180 1.00848.95 C ATOM 49762 O3* A B2367 -839.417 -30.299 42.879 1.00848.95 O ATOM 49763 C2* A B2367 -837.877 -32.197 43.005 1.00848.95 C ATOM 49764 O2* A B2367 -838.144 -32.145 44.392 1.00848.95 O ATOM 49765 C1* A B2367 -838.072 -33.634 42.505 1.00848.95 C ATOM 49766 N9 A B2367 -837.049 -34.102 41.572 1.00848.95 N ATOM 49767 C8 A B2367 -837.170 -34.385 40.234 1.00848.95 C ATOM 49768 N7 A B2367 -836.057 -34.801 39.677 1.00848.95 N ATOM 49769 C5 A B2367 -835.140 -34.789 40.718 1.00848.95 C ATOM 49770 C6 A B2367 -833.774 -35.124 40.781 1.00848.95 C ATOM 49771 N6 A B2367 -833.068 -35.558 39.737 1.00848.95 N ATOM 49772 N1 A B2367 -833.152 -35.001 41.975 1.00848.95 N ATOM 49773 C2 A B2367 -833.862 -34.568 43.024 1.00848.95 C ATOM 49774 N3 A B2367 -835.147 -34.225 43.090 1.00848.95 N ATOM 49775 C4 A B2367 -835.734 -34.359 41.890 1.00848.95 C ATOM 49776 P G B2368 -839.928 -29.015 42.059 1.00848.95 P ATOM 49777 O1P G B2368 -841.348 -28.795 42.428 1.00848.95 O ATOM 49778 O2P G B2368 -839.562 -29.189 40.628 1.00848.95 O ATOM 49779 O5* G B2368 -839.070 -27.819 42.655 1.00848.95 O ATOM 49780 C5* G B2368 -838.512 -27.901 43.965 1.00848.95 C ATOM 49781 C4* G B2368 -837.149 -27.257 43.990 1.00848.95 C ATOM 49782 O4* G B2368 -836.131 -28.250 43.718 1.00848.95 O ATOM 49783 C3* G B2368 -836.967 -26.183 42.946 1.00848.95 C ATOM 49784 O3* G B2368 -837.412 -24.919 43.434 1.00848.95 O ATOM 49785 C2* G B2368 -835.467 -26.203 42.674 1.00848.95 C ATOM 49786 O2* G B2368 -834.739 -25.399 43.583 1.00848.95 O ATOM 49787 C1* G B2368 -835.117 -27.676 42.914 1.00848.95 C ATOM 49788 N9 G B2368 -834.973 -28.481 41.702 1.00848.95 N ATOM 49789 C8 G B2368 -835.898 -28.671 40.705 1.00848.95 C ATOM 49790 N7 G B2368 -835.462 -29.452 39.750 1.00848.95 N ATOM 49791 C5 G B2368 -834.176 -29.793 40.145 1.00848.95 C ATOM 49792 C6 G B2368 -833.202 -30.613 39.509 1.00848.95 C ATOM 49793 O6 G B2368 -833.284 -31.225 38.438 1.00848.95 O ATOM 49794 N1 G B2368 -832.033 -30.687 40.260 1.00848.95 N ATOM 49795 C2 G B2368 -831.822 -30.052 41.458 1.00848.95 C ATOM 49796 N2 G B2368 -830.625 -30.246 42.032 1.00848.95 N ATOM 49797 N3 G B2368 -832.716 -29.287 42.053 1.00848.95 N ATOM 49798 C4 G B2368 -833.861 -29.201 41.348 1.00848.95 C ATOM 49799 P U B2369 -838.430 -24.038 42.556 1.00848.95 P ATOM 49800 O1P U B2369 -838.525 -24.677 41.219 1.00848.95 O ATOM 49801 O2P U B2369 -838.035 -22.610 42.658 1.00848.95 O ATOM 49802 O5* U B2369 -839.839 -24.230 43.283 1.00848.95 O ATOM 49803 C5* U B2369 -841.015 -24.449 42.511 1.00848.95 C ATOM 49804 C4* U B2369 -841.929 -25.449 43.181 1.00848.95 C ATOM 49805 O4* U B2369 -841.159 -26.585 43.663 1.00848.95 O ATOM 49806 C3* U B2369 -842.672 -24.936 44.392 1.00848.95 C ATOM 49807 O3* U B2369 -843.880 -24.297 44.007 1.00848.95 O ATOM 49808 C2* U B2369 -842.953 -26.213 45.178 1.00848.95 C ATOM 49809 O2* U B2369 -844.080 -26.908 44.688 1.00848.95 O ATOM 49810 C1* U B2369 -841.692 -27.029 44.901 1.00848.95 C ATOM 49811 N1 U B2369 -840.709 -26.807 45.970 1.00848.95 N ATOM 49812 C2 U B2369 -840.620 -27.762 46.965 1.00848.95 C ATOM 49813 O2 U B2369 -841.258 -28.797 46.944 1.00848.95 O ATOM 49814 N3 U B2369 -839.755 -27.456 47.987 1.00848.95 N ATOM 49815 C4 U B2369 -838.977 -26.325 48.104 1.00848.95 C ATOM 49816 O4 U B2369 -838.308 -26.153 49.124 1.00848.95 O ATOM 49817 C5 U B2369 -839.091 -25.406 47.012 1.00848.95 C ATOM 49818 C6 U B2369 -839.933 -25.671 46.009 1.00848.95 C ATOM 49819 P G B2370 -844.388 -23.014 44.830 1.00848.95 P ATOM 49820 O1P G B2370 -845.866 -22.987 44.720 1.00848.95 O ATOM 49821 O2P G B2370 -843.597 -21.837 44.388 1.00848.95 O ATOM 49822 O5* G B2370 -843.995 -23.332 46.340 1.00848.95 O ATOM 49823 C5* G B2370 -844.874 -24.062 47.190 1.00848.95 C ATOM 49824 C4* G B2370 -844.365 -24.031 48.607 1.00848.95 C ATOM 49825 O4* G B2370 -842.991 -24.486 48.632 1.00848.95 O ATOM 49826 C3* G B2370 -844.305 -22.706 49.326 1.00848.95 C ATOM 49827 O3* G B2370 -845.578 -22.366 49.848 1.00848.95 O ATOM 49828 C2* G B2370 -843.281 -22.946 50.427 1.00848.95 C ATOM 49829 O2* G B2370 -843.846 -23.573 51.559 1.00848.95 O ATOM 49830 C1* G B2370 -842.316 -23.910 49.736 1.00848.95 C ATOM 49831 N9 G B2370 -841.131 -23.231 49.221 1.00848.95 N ATOM 49832 C8 G B2370 -841.067 -22.423 48.111 1.00848.95 C ATOM 49833 N7 G B2370 -839.873 -21.947 47.895 1.00848.95 N ATOM 49834 C5 G B2370 -839.101 -22.477 48.918 1.00848.95 C ATOM 49835 C6 G B2370 -837.725 -22.314 49.206 1.00848.95 C ATOM 49836 O6 G B2370 -836.879 -21.651 48.592 1.00848.95 O ATOM 49837 N1 G B2370 -837.353 -23.025 50.341 1.00848.95 N ATOM 49838 C2 G B2370 -838.199 -23.792 51.106 1.00848.95 C ATOM 49839 N2 G B2370 -837.649 -24.403 52.167 1.00848.95 N ATOM 49840 N3 G B2370 -839.486 -23.954 50.847 1.00848.95 N ATOM 49841 C4 G B2370 -839.865 -23.272 49.748 1.00848.95 C ATOM 49842 P A B2371 -844.940 -21.060 51.380 1.00851.35 P ATOM 49843 O1P A B2371 -845.611 -20.499 50.180 1.00851.35 O ATOM 49844 O2P A B2371 -843.742 -20.379 51.935 1.00851.35 O ATOM 49845 O5* A B2371 -846.022 -21.211 52.532 1.00851.35 O ATOM 49846 C5* A B2371 -847.378 -21.453 52.188 1.00851.35 C ATOM 49847 C4* A B2371 -848.296 -21.014 53.301 1.00851.35 C ATOM 49848 O4* A B2371 -847.823 -21.510 54.578 1.00851.35 O ATOM 49849 C3* A B2371 -848.433 -19.509 53.471 1.00851.35 C ATOM 49850 O3* A B2371 -849.365 -18.958 52.549 1.00851.35 O ATOM 49851 C2* A B2371 -848.847 -19.387 54.935 1.00851.35 C ATOM 49852 O2* A B2371 -850.228 -19.608 55.132 1.00851.35 O ATOM 49853 C1* A B2371 -848.053 -20.528 55.578 1.00851.35 C ATOM 49854 N9 A B2371 -846.767 -20.081 56.120 1.00851.35 N ATOM 49855 C8 A B2371 -846.588 -19.039 56.997 1.00851.35 C ATOM 49856 N7 A B2371 -845.338 -18.838 57.336 1.00851.35 N ATOM 49857 C5 A B2371 -844.645 -19.811 56.635 1.00851.35 C ATOM 49858 C6 A B2371 -843.276 -20.124 56.566 1.00851.35 C ATOM 49859 N6 A B2371 -842.329 -19.466 57.237 1.00851.35 N ATOM 49860 N1 A B2371 -842.910 -21.150 55.768 1.00851.35 N ATOM 49861 C2 A B2371 -843.860 -21.811 55.095 1.00851.35 C ATOM 49862 N3 A B2371 -845.178 -21.612 55.078 1.00851.35 N ATOM 49863 C4 A B2371 -845.510 -20.585 55.877 1.00851.35 C ATOM 49864 P A B2372 -849.702 -17.386 52.620 1.00851.35 P ATOM 49865 O1P A B2372 -850.597 -17.007 51.504 1.00851.35 O ATOM 49866 O2P A B2372 -848.425 -16.657 52.809 1.00851.35 O ATOM 49867 O5* A B2372 -850.541 -17.267 53.962 1.00851.35 O ATOM 49868 C5* A B2372 -850.387 -16.134 54.800 1.00851.35 C ATOM 49869 C4* A B2372 -851.505 -16.081 55.804 1.00851.35 C ATOM 49870 O4* A B2372 -851.557 -17.321 56.555 1.00851.35 O ATOM 49871 C3* A B2372 -851.421 -15.005 56.856 1.00851.35 C ATOM 49872 O3* A B2372 -851.827 -13.750 56.326 1.00851.35 O ATOM 49873 C2* A B2372 -852.310 -15.565 57.964 1.00851.35 C ATOM 49874 O2* A B2372 -853.689 -15.384 57.727 1.00851.35 O ATOM 49875 C1* A B2372 -852.002 -17.057 57.874 1.00851.35 C ATOM 49876 N9 A B2372 -850.935 -17.432 58.798 1.00851.35 N ATOM 49877 C8 A B2372 -849.762 -18.083 58.516 1.00851.35 C ATOM 49878 N7 A B2372 -848.987 -18.247 59.560 1.00851.35 N ATOM 49879 C5 A B2372 -849.703 -17.670 60.601 1.00851.35 C ATOM 49880 C6 A B2372 -849.424 -17.514 61.969 1.00851.35 C ATOM 49881 N6 A B2372 -848.301 -17.941 62.550 1.00851.35 N ATOM 49882 N1 A B2372 -850.352 -16.894 62.732 1.00851.35 N ATOM 49883 C2 A B2372 -851.478 -16.465 62.146 1.00851.35 C ATOM 49884 N3 A B2372 -851.850 -16.548 60.875 1.00851.35 N ATOM 49885 C4 A B2372 -850.909 -17.171 60.145 1.00851.35 C ATOM 49886 P C B2373 -851.368 -12.397 57.070 1.00851.35 P ATOM 49887 O1P C B2373 -852.303 -11.313 56.682 1.00851.35 O ATOM 49888 O2P C B2373 -849.915 -12.225 56.825 1.00851.35 O ATOM 49889 O5* C B2373 -851.561 -12.719 58.621 1.00851.35 O ATOM 49890 C5* C B2373 -852.757 -12.358 59.306 1.00851.35 C ATOM 49891 C4* C B2373 -852.436 -11.773 60.656 1.00851.35 C ATOM 49892 O4* C B2373 -851.829 -12.789 61.490 1.00851.35 O ATOM 49893 C3* C B2373 -851.434 -10.638 60.644 1.00851.35 C ATOM 49894 O3* C B2373 -852.086 -9.412 60.355 1.00851.35 O ATOM 49895 C2* C B2373 -850.835 -10.702 62.042 1.00851.35 C ATOM 49896 O2* C B2373 -851.648 -10.058 63.004 1.00851.35 O ATOM 49897 C1* C B2373 -850.829 -12.214 62.303 1.00851.35 C ATOM 49898 N1 C B2373 -849.567 -12.879 61.954 1.00851.35 N ATOM 49899 C2 C B2373 -848.433 -12.660 62.733 1.00851.35 C ATOM 49900 O2 C B2373 -848.513 -11.910 63.718 1.00851.35 O ATOM 49901 N3 C B2373 -847.271 -13.270 62.395 1.00851.35 N ATOM 49902 C4 C B2373 -847.227 -14.074 61.328 1.00851.35 C ATOM 49903 N4 C B2373 -846.066 -14.655 61.025 1.00851.35 N ATOM 49904 C5 C B2373 -848.373 -14.317 60.519 1.00851.35 C ATOM 49905 C6 C B2373 -849.509 -13.705 60.865 1.00851.35 C ATOM 49906 P C B2374 -851.281 -8.250 59.601 1.00851.35 P ATOM 49907 O1P C B2374 -852.074 -6.999 59.717 1.00851.35 O ATOM 49908 O2P C B2374 -850.881 -8.743 58.260 1.00851.35 O ATOM 49909 O5* C B2374 -849.974 -8.096 60.491 1.00851.35 O ATOM 49910 C5* C B2374 -850.037 -7.461 61.761 1.00851.35 C ATOM 49911 C4* C B2374 -848.674 -7.443 62.397 1.00851.35 C ATOM 49912 O4* C B2374 -848.180 -8.798 62.538 1.00851.35 O ATOM 49913 C3* C B2374 -847.618 -6.724 61.579 1.00851.35 C ATOM 49914 O3* C B2374 -847.657 -5.328 61.830 1.00851.35 O ATOM 49915 C2* C B2374 -846.327 -7.387 62.045 1.00851.35 C ATOM 49916 O2* C B2374 -845.845 -6.843 63.258 1.00851.35 O ATOM 49917 C1* C B2374 -846.787 -8.826 62.278 1.00851.35 C ATOM 49918 N1 C B2374 -846.571 -9.672 61.096 1.00851.35 N ATOM 49919 C2 C B2374 -845.308 -10.227 60.882 1.00851.35 C ATOM 49920 O2 C B2374 -844.400 -9.988 61.691 1.00851.35 O ATOM 49921 N3 C B2374 -845.108 -11.011 59.799 1.00851.35 N ATOM 49922 C4 C B2374 -846.116 -11.247 58.956 1.00851.35 C ATOM 49923 N4 C B2374 -845.882 -12.037 57.920 1.00851.35 N ATOM 49924 C5 C B2374 -847.408 -10.684 59.143 1.00851.35 C ATOM 49925 C6 C B2374 -847.590 -9.914 60.218 1.00851.35 C ATOM 49926 P G B2375 -847.881 -4.314 60.604 1.00851.35 P ATOM 49927 O1P G B2375 -848.426 -3.056 61.170 1.00851.35 O ATOM 49928 O2P G B2375 -848.633 -5.027 59.537 1.00851.35 O ATOM 49929 O5* G B2375 -846.406 -4.026 60.077 1.00851.35 O ATOM 49930 C5* G B2375 -845.402 -3.594 60.982 1.00851.35 C ATOM 49931 C4* G B2375 -844.073 -4.240 60.668 1.00851.35 C ATOM 49932 O4* G B2375 -844.235 -5.667 60.454 1.00851.35 O ATOM 49933 C3* G B2375 -843.331 -3.734 59.443 1.00851.35 C ATOM 49934 O3* G B2375 -842.576 -2.560 59.724 1.00851.35 O ATOM 49935 C2* G B2375 -842.409 -4.904 59.118 1.00851.35 C ATOM 49936 O2* G B2375 -841.227 -4.900 59.890 1.00851.35 O ATOM 49937 C1* G B2375 -843.272 -6.108 59.513 1.00851.35 C ATOM 49938 N9 G B2375 -843.944 -6.672 58.348 1.00851.35 N ATOM 49939 C8 G B2375 -845.290 -6.690 58.070 1.00851.35 C ATOM 49940 N7 G B2375 -845.562 -7.220 56.907 1.00851.35 N ATOM 49941 C5 G B2375 -844.319 -7.583 56.396 1.00851.35 C ATOM 49942 C6 G B2375 -843.969 -8.185 55.161 1.00851.35 C ATOM 49943 O6 G B2375 -844.701 -8.510 54.221 1.00851.35 O ATOM 49944 N1 G B2375 -842.597 -8.390 55.063 1.00851.35 N ATOM 49945 C2 G B2375 -841.678 -8.045 56.020 1.00851.35 C ATOM 49946 N2 G B2375 -840.397 -8.332 55.746 1.00851.35 N ATOM 49947 N3 G B2375 -841.987 -7.466 57.165 1.00851.35 N ATOM 49948 C4 G B2375 -843.318 -7.267 57.286 1.00851.35 C ATOM 49949 P G B2376 -842.084 -1.626 58.513 1.00851.35 P ATOM 49950 O1P G B2376 -841.315 -0.497 59.091 1.00851.35 O ATOM 49951 O2P G B2376 -843.254 -1.346 57.639 1.00851.35 O ATOM 49952 O5* G B2376 -841.074 -2.550 57.697 1.00851.35 O ATOM 49953 C5* G B2376 -839.663 -2.389 57.824 1.00851.35 C ATOM 49954 C4* G B2376 -839.004 -2.518 56.468 1.00851.35 C ATOM 49955 O4* G B2376 -839.122 -3.885 56.001 1.00851.35 O ATOM 49956 C3* G B2376 -839.579 -1.678 55.338 1.00851.35 C ATOM 49957 O3* G B2376 -839.075 -0.346 55.359 1.00851.35 O ATOM 49958 C2* G B2376 -839.156 -2.451 54.094 1.00851.35 C ATOM 49959 O2* G B2376 -837.836 -2.154 53.687 1.00851.35 O ATOM 49960 C1* G B2376 -839.226 -3.903 54.590 1.00851.35 C ATOM 49961 N9 G B2376 -840.465 -4.586 54.246 1.00851.35 N ATOM 49962 C8 G B2376 -841.589 -4.689 55.027 1.00851.35 C ATOM 49963 N7 G B2376 -842.551 -5.366 54.459 1.00851.35 N ATOM 49964 C5 G B2376 -842.029 -5.735 53.227 1.00851.35 C ATOM 49965 C6 G B2376 -842.611 -6.487 52.174 1.00851.35 C ATOM 49966 O6 G B2376 -843.739 -6.990 52.117 1.00851.35 O ATOM 49967 N1 G B2376 -841.733 -6.626 51.105 1.00851.35 N ATOM 49968 C2 G B2376 -840.460 -6.111 51.053 1.00851.35 C ATOM 49969 N2 G B2376 -839.769 -6.351 49.927 1.00851.35 N ATOM 49970 N3 G B2376 -839.907 -5.409 52.027 1.00851.35 N ATOM 49971 C4 G B2376 -840.743 -5.261 53.078 1.00851.35 C ATOM 49972 P U B2377 -840.057 0.887 55.044 1.00851.35 P ATOM 49973 O1P U B2377 -839.350 2.124 55.456 1.00851.35 O ATOM 49974 O2P U B2377 -841.396 0.583 55.609 1.00851.35 O ATOM 49975 O5* U B2377 -840.165 0.898 53.455 1.00851.35 O ATOM 49976 C5* U B2377 -839.118 1.447 52.667 1.00851.35 C ATOM 49977 C4* U B2377 -839.479 1.410 51.203 1.00851.35 C ATOM 49978 O4* U B2377 -839.613 0.024 50.780 1.00851.35 O ATOM 49979 C3* U B2377 -840.786 2.041 50.791 1.00851.35 C ATOM 49980 O3* U B2377 -840.784 3.473 50.807 1.00851.35 O ATOM 49981 C2* U B2377 -841.110 1.334 49.477 1.00851.35 C ATOM 49982 O2* U B2377 -840.438 1.844 48.344 1.00851.35 O ATOM 49983 C1* U B2377 -840.585 -0.078 49.753 1.00851.35 C ATOM 49984 N1 U B2377 -841.650 -0.979 50.215 1.00851.35 N ATOM 49985 C2 U B2377 -842.481 -1.543 49.267 1.00851.35 C ATOM 49986 O2 U B2377 -842.350 -1.349 48.071 1.00851.35 O ATOM 49987 N3 U B2377 -843.474 -2.348 49.770 1.00851.35 N ATOM 49988 C4 U B2377 -843.714 -2.642 51.098 1.00851.35 C ATOM 49989 O4 U B2377 -844.673 -3.354 51.397 1.00851.35 O ATOM 49990 C5 U B2377 -842.802 -2.030 52.017 1.00851.35 C ATOM 49991 C6 U B2377 -841.828 -1.241 51.556 1.00851.35 C ATOM 49992 P G B2378 -839.940 4.308 49.723 1.00851.35 P ATOM 49993 O1P G B2378 -838.734 3.521 49.372 1.00851.35 O ATOM 49994 O2P G B2378 -839.793 5.690 50.238 1.00851.35 O ATOM 49995 O5* G B2378 -840.868 4.380 48.435 1.00851.35 O ATOM 49996 C5* G B2378 -840.403 5.050 47.273 1.00851.35 C ATOM 49997 C4* G B2378 -841.093 4.526 46.050 1.00851.35 C ATOM 49998 O4* G B2378 -841.294 3.090 46.165 1.00851.35 O ATOM 49999 C3* G B2378 -842.462 5.062 45.714 1.00851.35 C ATOM 50000 O3* G B2378 -842.381 6.295 45.012 1.00851.35 O ATOM 50001 C2* G B2378 -842.990 3.989 44.792 1.00851.35 C ATOM 50002 O2* G B2378 -842.379 4.132 43.524 1.00851.35 O ATOM 50003 C1* G B2378 -842.438 2.714 45.418 1.00851.35 C ATOM 50004 N9 G B2378 -843.380 2.022 46.301 1.00851.35 N ATOM 50005 C8 G B2378 -843.849 2.469 47.506 1.00851.35 C ATOM 50006 N7 G B2378 -844.697 1.647 48.066 1.00851.35 N ATOM 50007 C5 G B2378 -844.790 0.586 47.178 1.00851.35 C ATOM 50008 C6 G B2378 -845.566 -0.603 47.243 1.00851.35 C ATOM 50009 O6 G B2378 -846.342 -0.967 48.133 1.00851.35 O ATOM 50010 N1 G B2378 -845.369 -1.410 46.130 1.00851.35 N ATOM 50011 C2 G B2378 -844.537 -1.114 45.085 1.00851.35 C ATOM 50012 N2 G B2378 -844.498 -2.021 44.092 1.00851.35 N ATOM 50013 N3 G B2378 -843.800 -0.012 45.010 1.00851.35 N ATOM 50014 C4 G B2378 -843.980 0.792 46.083 1.00851.35 C ATOM 50015 P G B2379 -843.729 7.109 44.679 1.00851.35 P ATOM 50016 O1P G B2379 -843.372 8.538 44.494 1.00851.35 O ATOM 50017 O2P G B2379 -844.753 6.731 45.684 1.00851.35 O ATOM 50018 O5* G B2379 -844.195 6.548 43.260 1.00851.35 O ATOM 50019 C5* G B2379 -845.522 6.771 42.790 1.00851.35 C ATOM 50020 C4* G B2379 -846.079 5.514 42.162 1.00851.35 C ATOM 50021 O4* G B2379 -845.740 4.373 42.973 1.00851.35 O ATOM 50022 C3* G B2379 -847.593 5.479 42.037 1.00851.35 C ATOM 50023 O3* G B2379 -847.999 6.106 40.834 1.00851.35 O ATOM 50024 C2* G B2379 -847.911 3.985 42.073 1.00851.35 C ATOM 50025 O2* G B2379 -847.804 3.375 40.804 1.00851.35 O ATOM 50026 C1* G B2379 -846.801 3.450 42.982 1.00851.35 C ATOM 50027 N9 G B2379 -847.118 3.193 44.379 1.00851.35 N ATOM 50028 C8 G B2379 -846.630 3.896 45.453 1.00851.35 C ATOM 50029 N7 G B2379 -847.070 3.457 46.595 1.00851.35 N ATOM 50030 C5 G B2379 -847.903 2.402 46.255 1.00851.35 C ATOM 50031 C6 G B2379 -848.668 1.549 47.073 1.00851.35 C ATOM 50032 O6 G B2379 -848.774 1.560 48.301 1.00851.35 O ATOM 50033 N1 G B2379 -849.368 0.612 46.321 1.00851.35 N ATOM 50034 C2 G B2379 -849.328 0.508 44.952 1.00851.35 C ATOM 50035 N2 G B2379 -850.073 -0.469 44.410 1.00851.35 N ATOM 50036 N3 G B2379 -848.618 1.304 44.175 1.00851.35 N ATOM 50037 C4 G B2379 -847.932 2.220 44.887 1.00851.35 C ATOM 50038 P U B2380 -849.136 7.222 40.885 1.00851.35 P ATOM 50039 O1P U B2380 -849.592 7.461 39.496 1.00851.35 O ATOM 50040 O2P U B2380 -848.615 8.350 41.696 1.00851.35 O ATOM 50041 O5* U B2380 -850.306 6.505 41.696 1.00851.35 O ATOM 50042 C5* U B2380 -850.993 5.391 41.138 1.00851.35 C ATOM 50043 C4* U B2380 -851.968 4.819 42.138 1.00851.35 C ATOM 50044 O4* U B2380 -851.241 4.266 43.265 1.00851.35 O ATOM 50045 C3* U B2380 -852.924 5.790 42.826 1.00851.35 C ATOM 50046 O3* U B2380 -854.068 6.022 42.005 1.00851.35 O ATOM 50047 C2* U B2380 -853.326 5.068 44.108 1.00851.35 C ATOM 50048 O2* U B2380 -854.447 4.230 43.925 1.00851.35 O ATOM 50049 C1* U B2380 -852.093 4.210 44.392 1.00851.35 C ATOM 50050 N1 U B2380 -851.337 4.633 45.579 1.00851.35 N ATOM 50051 C2 U B2380 -851.543 3.921 46.743 1.00851.35 C ATOM 50052 O2 U B2380 -852.337 2.999 46.820 1.00851.35 O ATOM 50053 N3 U B2380 -850.793 4.331 47.819 1.00851.35 N ATOM 50054 C4 U B2380 -849.877 5.366 47.845 1.00851.35 C ATOM 50055 O4 U B2380 -849.257 5.603 48.879 1.00851.35 O ATOM 50056 C5 U B2380 -849.737 6.067 46.600 1.00851.35 C ATOM 50057 C6 U B2380 -850.455 5.684 45.540 1.00851.35 C ATOM 50058 P A B2381 -854.514 7.525 41.646 1.00851.35 P ATOM 50059 O1P A B2381 -855.491 7.429 40.535 1.00851.35 O ATOM 50060 O2P A B2381 -853.288 8.344 41.472 1.00851.35 O ATOM 50061 O5* A B2381 -855.288 8.057 42.936 1.00851.35 O ATOM 50062 C5* A B2381 -856.187 7.227 43.669 1.00851.35 C ATOM 50063 C4* A B2381 -856.889 8.037 44.734 1.00851.35 C ATOM 50064 O4* A B2381 -855.892 8.654 45.585 1.00851.35 O ATOM 50065 C3* A B2381 -857.735 9.234 44.316 1.00851.35 C ATOM 50066 O3* A B2381 -859.058 8.846 43.968 1.00851.35 O ATOM 50067 C2* A B2381 -857.754 10.152 45.536 1.00851.35 C ATOM 50068 O2* A B2381 -858.847 9.889 46.393 1.00851.35 O ATOM 50069 C1* A B2381 -856.456 9.764 46.256 1.00851.35 C ATOM 50070 N9 A B2381 -855.452 10.825 46.326 1.00851.35 N ATOM 50071 C8 A B2381 -854.555 11.223 45.369 1.00851.35 C ATOM 50072 N7 A B2381 -853.780 12.211 45.750 1.00851.35 N ATOM 50073 C5 A B2381 -854.198 12.483 47.045 1.00851.35 C ATOM 50074 C6 A B2381 -853.777 13.422 48.004 1.00851.35 C ATOM 50075 N6 A B2381 -852.796 14.302 47.792 1.00851.35 N ATOM 50076 N1 A B2381 -854.404 13.426 49.199 1.00851.35 N ATOM 50077 C2 A B2381 -855.389 12.543 49.408 1.00851.35 C ATOM 50078 N3 A B2381 -855.874 11.612 48.589 1.00851.35 N ATOM 50079 C4 A B2381 -855.231 11.635 47.410 1.00851.35 C ATOM 50080 P C B2382 -859.322 7.898 42.698 1.00851.35 P ATOM 50081 O1P C B2382 -858.282 8.189 41.682 1.00851.35 O ATOM 50082 O2P C B2382 -860.757 7.993 42.331 1.00851.35 O ATOM 50083 O5* C B2382 -859.054 6.441 43.292 1.00851.35 O ATOM 50084 C5* C B2382 -860.120 5.534 43.556 1.00851.35 C ATOM 50085 C4* C B2382 -860.334 5.428 45.049 1.00851.35 C ATOM 50086 O4* C B2382 -859.196 4.745 45.637 1.00851.35 O ATOM 50087 C3* C B2382 -860.336 6.689 45.897 1.00851.35 C ATOM 50088 O3* C B2382 -861.608 7.319 45.822 1.00851.35 O ATOM 50089 C2* C B2382 -859.983 6.243 47.309 1.00851.35 C ATOM 50090 O2* C B2382 -861.122 5.902 48.075 1.00851.35 O ATOM 50091 C1* C B2382 -859.154 4.985 47.033 1.00851.35 C ATOM 50092 N1 C B2382 -857.742 5.149 47.413 1.00851.35 N ATOM 50093 C2 C B2382 -857.403 5.253 48.769 1.00851.35 C ATOM 50094 O2 C B2382 -858.300 5.186 49.620 1.00851.35 O ATOM 50095 N3 C B2382 -856.106 5.421 49.113 1.00851.35 N ATOM 50096 C4 C B2382 -855.164 5.486 48.167 1.00851.35 C ATOM 50097 N4 C B2382 -853.902 5.662 48.553 1.00851.35 N ATOM 50098 C5 C B2382 -855.482 5.377 46.781 1.00851.35 C ATOM 50099 C6 C B2382 -856.769 5.209 46.455 1.00851.35 C ATOM 50100 P C B2383 -861.772 8.837 46.325 1.00851.35 P ATOM 50101 O1P C B2383 -863.187 9.034 46.720 1.00851.35 O ATOM 50102 O2P C B2383 -861.161 9.732 45.307 1.00851.35 O ATOM 50103 O5* C B2383 -860.872 8.899 47.639 1.00851.35 O ATOM 50104 C5* C B2383 -861.288 9.651 48.774 1.00851.35 C ATOM 50105 C4* C B2383 -861.388 8.751 49.982 1.00851.35 C ATOM 50106 O4* C B2383 -860.398 7.700 49.877 1.00851.35 O ATOM 50107 C3* C B2383 -861.135 9.383 51.340 1.00851.35 C ATOM 50108 O3* C B2383 -862.311 10.006 51.842 1.00851.35 O ATOM 50109 C2* C B2383 -860.694 8.198 52.193 1.00851.35 C ATOM 50110 O2* C B2383 -861.774 7.480 52.743 1.00851.35 O ATOM 50111 C1* C B2383 -859.956 7.325 51.173 1.00851.35 C ATOM 50112 N1 C B2383 -858.492 7.468 51.224 1.00851.35 N ATOM 50113 C2 C B2383 -857.777 6.707 52.152 1.00851.35 C ATOM 50114 O2 C B2383 -858.399 5.939 52.900 1.00851.35 O ATOM 50115 N3 C B2383 -856.433 6.827 52.209 1.00851.35 N ATOM 50116 C4 C B2383 -855.804 7.669 51.385 1.00851.35 C ATOM 50117 N4 C B2383 -854.474 7.752 51.477 1.00851.35 N ATOM 50118 C5 C B2383 -856.507 8.456 50.427 1.00851.35 C ATOM 50119 C6 C B2383 -857.839 8.325 50.383 1.00851.35 C ATOM 50120 P G B2384 -862.182 11.226 52.879 1.00851.35 P ATOM 50121 O1P G B2384 -863.558 11.629 53.268 1.00851.35 O ATOM 50122 O2P G B2384 -861.258 12.235 52.299 1.00851.35 O ATOM 50123 O5* G B2384 -861.476 10.577 54.152 1.00851.35 O ATOM 50124 C5* G B2384 -862.191 9.684 54.998 1.00851.35 C ATOM 50125 C4* G B2384 -861.255 9.076 56.016 1.00851.35 C ATOM 50126 O4* G B2384 -860.196 8.363 55.335 1.00851.35 O ATOM 50127 C3* G B2384 -860.534 10.051 56.920 1.00851.35 C ATOM 50128 O3* G B2384 -861.358 10.387 58.025 1.00851.35 O ATOM 50129 C2* G B2384 -859.304 9.262 57.347 1.00851.35 C ATOM 50130 O2* G B2384 -859.592 8.367 58.403 1.00851.35 O ATOM 50131 C1* G B2384 -858.993 8.468 56.077 1.00851.35 C ATOM 50132 N9 G B2384 -858.010 9.161 55.256 1.00851.35 N ATOM 50133 C8 G B2384 -858.252 9.949 54.158 1.00851.35 C ATOM 50134 N7 G B2384 -857.169 10.469 53.649 1.00851.35 N ATOM 50135 C5 G B2384 -856.150 9.992 54.458 1.00851.35 C ATOM 50136 C6 G B2384 -854.750 10.221 54.403 1.00851.35 C ATOM 50137 O6 G B2384 -854.113 10.916 53.601 1.00851.35 O ATOM 50138 N1 G B2384 -854.079 9.535 55.410 1.00851.35 N ATOM 50139 C2 G B2384 -854.676 8.739 56.356 1.00851.35 C ATOM 50140 N2 G B2384 -853.858 8.164 57.246 1.00851.35 N ATOM 50141 N3 G B2384 -855.980 8.523 56.421 1.00851.35 N ATOM 50142 C4 G B2384 -856.649 9.177 55.451 1.00851.35 C ATOM 50143 P U B2385 -860.881 11.529 59.052 1.00851.35 P ATOM 50144 O1P U B2385 -860.938 12.831 58.341 1.00851.35 O ATOM 50145 O2P U B2385 -859.613 11.093 59.687 1.00851.35 O ATOM 50146 O5* U B2385 -862.034 11.512 60.146 1.00851.35 O ATOM 50147 C5* U B2385 -862.470 10.274 60.687 1.00851.35 C ATOM 50148 C4* U B2385 -863.172 10.479 62.003 1.00851.35 C ATOM 50149 O4* U B2385 -863.589 9.181 62.483 1.00851.35 O ATOM 50150 C3* U B2385 -862.295 11.015 63.124 1.00851.35 C ATOM 50151 O3* U B2385 -862.210 12.439 63.096 1.00851.35 O ATOM 50152 C2* U B2385 -862.999 10.500 64.374 1.00851.35 C ATOM 50153 O2* U B2385 -864.079 11.322 64.763 1.00851.35 O ATOM 50154 C1* U B2385 -863.542 9.152 63.896 1.00851.35 C ATOM 50155 N1 U B2385 -862.727 7.988 64.268 1.00851.35 N ATOM 50156 C2 U B2385 -863.205 7.134 65.242 1.00851.35 C ATOM 50157 O2 U B2385 -864.266 7.318 65.817 1.00851.35 O ATOM 50158 N3 U B2385 -862.398 6.060 65.516 1.00851.35 N ATOM 50159 C4 U B2385 -861.181 5.761 64.932 1.00851.35 C ATOM 50160 O4 U B2385 -860.578 4.742 65.272 1.00851.35 O ATOM 50161 C5 U B2385 -860.750 6.698 63.944 1.00851.35 C ATOM 50162 C6 U B2385 -861.517 7.752 63.655 1.00851.35 C ATOM 50163 P G B2386 -861.137 13.195 64.019 1.00851.35 P ATOM 50164 O1P G B2386 -860.241 13.973 63.123 1.00851.35 O ATOM 50165 O2P G B2386 -860.553 12.206 64.961 1.00851.35 O ATOM 50166 O5* G B2386 -862.012 14.226 64.862 1.00851.35 O ATOM 50167 C5* G B2386 -863.436 14.168 64.833 1.00851.35 C ATOM 50168 C4* G B2386 -863.999 15.387 64.139 1.00851.35 C ATOM 50169 O4* G B2386 -863.737 16.568 64.944 1.00851.35 O ATOM 50170 C3* G B2386 -863.389 15.679 62.775 1.00851.35 C ATOM 50171 O3* G B2386 -864.085 14.981 61.745 1.00851.35 O ATOM 50172 C2* G B2386 -863.545 17.191 62.647 1.00851.35 C ATOM 50173 O2* G B2386 -864.825 17.570 62.181 1.00851.35 O ATOM 50174 C1* G B2386 -863.382 17.645 64.099 1.00851.35 C ATOM 50175 N9 G B2386 -862.022 18.061 64.427 1.00851.35 N ATOM 50176 C8 G B2386 -861.001 17.275 64.906 1.00851.35 C ATOM 50177 N7 G B2386 -859.896 17.941 65.110 1.00851.35 N ATOM 50178 C5 G B2386 -860.207 19.241 64.742 1.00851.35 C ATOM 50179 C6 G B2386 -859.408 20.414 64.744 1.00851.35 C ATOM 50180 O6 G B2386 -858.225 20.538 65.085 1.00851.35 O ATOM 50181 N1 G B2386 -860.120 21.518 64.293 1.00851.35 N ATOM 50182 C2 G B2386 -861.433 21.498 63.887 1.00851.35 C ATOM 50183 N2 G B2386 -861.945 22.668 63.480 1.00851.35 N ATOM 50184 N3 G B2386 -862.187 20.414 63.881 1.00851.35 N ATOM 50185 C4 G B2386 -861.513 19.331 64.317 1.00851.35 C ATOM 50186 P U B2387 -863.257 14.273 60.565 1.00851.35 P ATOM 50187 O1P U B2387 -864.096 13.165 60.040 1.00851.35 O ATOM 50188 O2P U B2387 -861.891 13.981 61.066 1.00851.35 O ATOM 50189 O5* U B2387 -863.147 15.391 59.429 1.00851.35 O ATOM 50190 C5* U B2387 -864.314 15.884 58.769 1.00851.35 C ATOM 50191 C4* U B2387 -864.143 17.345 58.434 1.00851.35 C ATOM 50192 O4* U B2387 -863.846 18.082 59.651 1.00851.35 O ATOM 50193 C3* U B2387 -862.997 17.667 57.501 1.00851.35 C ATOM 50194 O3* U B2387 -863.409 17.550 56.143 1.00851.35 O ATOM 50195 C2* U B2387 -862.639 19.101 57.869 1.00851.35 C ATOM 50196 O2* U B2387 -863.467 20.051 57.228 1.00851.35 O ATOM 50197 C1* U B2387 -862.910 19.107 59.374 1.00851.35 C ATOM 50198 N1 U B2387 -861.695 18.822 60.147 1.00851.35 N ATOM 50199 C2 U B2387 -861.035 19.880 60.747 1.00851.35 C ATOM 50200 O2 U B2387 -861.433 21.030 60.680 1.00851.35 O ATOM 50201 N3 U B2387 -859.892 19.536 61.425 1.00851.35 N ATOM 50202 C4 U B2387 -859.358 18.269 61.564 1.00851.35 C ATOM 50203 O4 U B2387 -858.300 18.118 62.171 1.00851.35 O ATOM 50204 C5 U B2387 -860.107 17.232 60.929 1.00851.35 C ATOM 50205 C6 U B2387 -861.219 17.536 60.261 1.00851.35 C ATOM 50206 P G B2388 -862.487 16.745 55.099 1.00851.35 P ATOM 50207 O1P G B2388 -863.248 16.628 53.832 1.00851.35 O ATOM 50208 O2P G B2388 -861.985 15.519 55.771 1.00851.35 O ATOM 50209 O5* G B2388 -861.248 17.719 54.847 1.00851.35 O ATOM 50210 C5* G B2388 -861.120 18.432 53.620 1.00851.35 C ATOM 50211 C4* G B2388 -859.748 19.043 53.507 1.00851.35 C ATOM 50212 O4* G B2388 -859.462 19.856 54.674 1.00851.35 O ATOM 50213 C3* G B2388 -858.562 18.095 53.396 1.00851.35 C ATOM 50214 O3* G B2388 -858.377 17.643 52.058 1.00851.35 O ATOM 50215 C2* G B2388 -857.401 18.958 53.884 1.00851.35 C ATOM 50216 O2* G B2388 -856.877 19.792 52.871 1.00851.35 O ATOM 50217 C1* G B2388 -858.075 19.812 54.959 1.00851.35 C ATOM 50218 N9 G B2388 -857.890 19.265 56.301 1.00851.35 N ATOM 50219 C8 G B2388 -858.634 18.278 56.905 1.00851.35 C ATOM 50220 N7 G B2388 -858.212 17.981 58.103 1.00851.35 N ATOM 50221 C5 G B2388 -857.124 18.822 58.306 1.00851.35 C ATOM 50222 C6 G B2388 -856.253 18.951 59.423 1.00851.35 C ATOM 50223 O6 G B2388 -856.265 18.326 60.488 1.00851.35 O ATOM 50224 N1 G B2388 -855.290 19.929 59.205 1.00851.35 N ATOM 50225 C2 G B2388 -855.174 20.684 58.069 1.00851.35 C ATOM 50226 N2 G B2388 -854.178 21.585 58.064 1.00851.35 N ATOM 50227 N3 G B2388 -855.971 20.568 57.021 1.00851.35 N ATOM 50228 C4 G B2388 -856.918 19.626 57.205 1.00851.35 C ATOM 50229 P G B2389 -857.534 16.301 51.786 1.00851.35 P ATOM 50230 O1P G B2389 -857.416 16.125 50.315 1.00851.35 O ATOM 50231 O2P G B2389 -858.116 15.213 52.612 1.00851.35 O ATOM 50232 O5* G B2389 -856.094 16.657 52.368 1.00851.35 O ATOM 50233 C5* G B2389 -855.120 15.647 52.624 1.00851.35 C ATOM 50234 C4* G B2389 -853.901 16.276 53.257 1.00851.35 C ATOM 50235 O4* G B2389 -854.311 17.066 54.399 1.00851.35 O ATOM 50236 C3* G B2389 -852.857 15.315 53.791 1.00851.35 C ATOM 50237 O3* G B2389 -851.955 14.934 52.759 1.00851.35 O ATOM 50238 C2* G B2389 -852.169 16.135 54.878 1.00851.35 C ATOM 50239 O2* G B2389 -851.156 16.973 54.362 1.00851.35 O ATOM 50240 C1* G B2389 -853.316 17.007 55.398 1.00851.35 C ATOM 50241 N9 G B2389 -853.931 16.514 56.623 1.00851.35 N ATOM 50242 C8 G B2389 -855.235 16.124 56.799 1.00851.35 C ATOM 50243 N7 G B2389 -855.494 15.740 58.020 1.00851.35 N ATOM 50244 C5 G B2389 -854.285 15.886 58.687 1.00851.35 C ATOM 50245 C6 G B2389 -853.948 15.626 60.036 1.00851.35 C ATOM 50246 O6 G B2389 -854.675 15.204 60.946 1.00851.35 O ATOM 50247 N1 G B2389 -852.609 15.903 60.289 1.00851.35 N ATOM 50248 C2 G B2389 -851.711 16.375 59.363 1.00851.35 C ATOM 50249 N2 G B2389 -850.459 16.580 59.797 1.00851.35 N ATOM 50250 N3 G B2389 -852.017 16.621 58.103 1.00851.35 N ATOM 50251 C4 G B2389 -853.310 16.354 57.837 1.00851.35 C ATOM 50252 P A B2390 -851.059 13.608 52.921 1.00851.35 P ATOM 50253 O1P A B2390 -849.655 13.991 52.621 1.00851.35 O ATOM 50254 O2P A B2390 -851.700 12.518 52.146 1.00851.35 O ATOM 50255 O5* A B2390 -851.150 13.245 54.468 1.00851.35 O ATOM 50256 C5* A B2390 -850.044 13.475 55.343 1.00851.35 C ATOM 50257 C4* A B2390 -850.364 12.986 56.735 1.00851.35 C ATOM 50258 O4* A B2390 -851.501 13.725 57.248 1.00851.35 O ATOM 50259 C3* A B2390 -850.785 11.532 56.853 1.00851.35 C ATOM 50260 O3* A B2390 -849.652 10.674 56.943 1.00851.35 O ATOM 50261 C2* A B2390 -851.609 11.517 58.133 1.00851.35 C ATOM 50262 O2* A B2390 -850.809 11.421 59.293 1.00851.35 O ATOM 50263 C1* A B2390 -852.281 12.889 58.086 1.00851.35 C ATOM 50264 N9 A B2390 -853.634 12.834 57.537 1.00851.35 N ATOM 50265 C8 A B2390 -854.015 12.999 56.226 1.00851.35 C ATOM 50266 N7 A B2390 -855.305 12.885 56.028 1.00851.35 N ATOM 50267 C5 A B2390 -855.811 12.626 57.297 1.00851.35 C ATOM 50268 C6 A B2390 -857.118 12.407 57.765 1.00851.35 C ATOM 50269 N6 A B2390 -858.195 12.417 56.983 1.00851.35 N ATOM 50270 N1 A B2390 -857.281 12.176 59.085 1.00851.35 N ATOM 50271 C2 A B2390 -856.198 12.172 59.874 1.00851.35 C ATOM 50272 N3 A B2390 -854.919 12.364 59.551 1.00851.35 N ATOM 50273 C4 A B2390 -854.792 12.591 58.234 1.00851.35 C ATOM 50274 P A B2391 -849.866 9.081 57.052 1.00851.35 P ATOM 50275 O1P A B2391 -848.696 8.431 56.410 1.00851.35 O ATOM 50276 O2P A B2391 -851.235 8.760 56.571 1.00851.35 O ATOM 50277 O5* A B2391 -849.804 8.781 58.614 1.00851.35 O ATOM 50278 C5* A B2391 -848.579 8.895 59.336 1.00851.35 C ATOM 50279 C4* A B2391 -848.730 8.305 60.720 1.00851.35 C ATOM 50280 O4* A B2391 -849.624 9.134 61.507 1.00851.35 O ATOM 50281 C3* A B2391 -849.342 6.916 60.787 1.00851.35 C ATOM 50282 O3* A B2391 -848.358 5.917 60.570 1.00851.35 O ATOM 50283 C2* A B2391 -849.927 6.872 62.197 1.00851.35 C ATOM 50284 O2* A B2391 -848.962 6.534 63.173 1.00851.35 O ATOM 50285 C1* A B2391 -850.371 8.323 62.397 1.00851.35 C ATOM 50286 N9 A B2391 -851.788 8.536 62.112 1.00851.35 N ATOM 50287 C8 A B2391 -852.458 8.217 60.959 1.00851.35 C ATOM 50288 N7 A B2391 -853.733 8.525 60.985 1.00851.35 N ATOM 50289 C5 A B2391 -853.911 9.084 62.239 1.00851.35 C ATOM 50290 C6 A B2391 -855.048 9.605 62.886 1.00851.35 C ATOM 50291 N6 A B2391 -856.259 9.650 62.332 1.00851.35 N ATOM 50292 N1 A B2391 -854.893 10.081 64.140 1.00851.35 N ATOM 50293 C2 A B2391 -853.679 10.027 64.700 1.00851.35 C ATOM 50294 N3 A B2391 -852.534 9.560 64.196 1.00851.35 N ATOM 50295 C4 A B2391 -852.725 9.097 62.948 1.00851.35 C ATOM 50296 P G B2392 -848.232 5.224 59.127 1.00851.35 P ATOM 50297 O1P G B2392 -846.880 4.616 59.037 1.00851.35 O ATOM 50298 O2P G B2392 -848.663 6.204 58.098 1.00851.35 O ATOM 50299 O5* G B2392 -849.301 4.044 59.171 1.00851.35 O ATOM 50300 C5* G B2392 -849.870 3.623 60.403 1.00851.35 C ATOM 50301 C4* G B2392 -851.303 3.192 60.196 1.00851.35 C ATOM 50302 O4* G B2392 -852.106 4.350 59.846 1.00851.35 O ATOM 50303 C3* G B2392 -851.483 2.244 59.035 1.00851.35 C ATOM 50304 O3* G B2392 -851.241 0.898 59.419 1.00851.35 O ATOM 50305 C2* G B2392 -852.920 2.493 58.607 1.00851.35 C ATOM 50306 O2* G B2392 -853.855 1.792 59.403 1.00851.35 O ATOM 50307 C1* G B2392 -853.046 3.997 58.845 1.00851.35 C ATOM 50308 N9 G B2392 -852.702 4.724 57.630 1.00851.35 N ATOM 50309 C8 G B2392 -851.460 5.193 57.269 1.00851.35 C ATOM 50310 N7 G B2392 -851.448 5.762 56.094 1.00851.35 N ATOM 50311 C5 G B2392 -852.764 5.673 55.656 1.00851.35 C ATOM 50312 C6 G B2392 -853.364 6.111 54.449 1.00851.35 C ATOM 50313 O6 G B2392 -852.835 6.681 53.486 1.00851.35 O ATOM 50314 N1 G B2392 -854.724 5.827 54.420 1.00851.35 N ATOM 50315 C2 G B2392 -855.421 5.195 55.423 1.00851.35 C ATOM 50316 N2 G B2392 -856.730 5.012 55.206 1.00851.35 N ATOM 50317 N3 G B2392 -854.873 4.778 56.550 1.00851.35 N ATOM 50318 C4 G B2392 -853.553 5.047 56.599 1.00851.35 C ATOM 50319 P G B2393 -850.808 -0.174 58.301 1.00851.35 P ATOM 50320 O1P G B2393 -850.508 -1.454 58.988 1.00851.35 O ATOM 50321 O2P G B2393 -849.778 0.455 57.435 1.00851.35 O ATOM 50322 O5* G B2393 -852.130 -0.365 57.434 1.00851.35 O ATOM 50323 C5* G B2393 -853.319 -0.874 58.027 1.00851.35 C ATOM 50324 C4* G B2393 -854.478 -0.762 57.069 1.00851.35 C ATOM 50325 O4* G B2393 -854.726 0.640 56.775 1.00851.35 O ATOM 50326 C3* G B2393 -854.290 -1.345 55.691 1.00851.35 C ATOM 50327 O3* G B2393 -854.476 -2.753 55.731 1.00851.35 O ATOM 50328 C2* G B2393 -855.353 -0.632 54.868 1.00851.35 C ATOM 50329 O2* G B2393 -856.635 -1.209 55.010 1.00851.35 O ATOM 50330 C1* G B2393 -855.332 0.760 55.497 1.00851.35 C ATOM 50331 N9 G B2393 -854.510 1.644 54.682 1.00851.35 N ATOM 50332 C8 G B2393 -853.160 1.879 54.786 1.00851.35 C ATOM 50333 N7 G B2393 -852.709 2.697 53.873 1.00851.35 N ATOM 50334 C5 G B2393 -853.835 3.026 53.126 1.00851.35 C ATOM 50335 C6 G B2393 -853.974 3.872 51.990 1.00851.35 C ATOM 50336 O6 G B2393 -853.106 4.515 51.393 1.00851.35 O ATOM 50337 N1 G B2393 -855.294 3.920 51.552 1.00851.35 N ATOM 50338 C2 G B2393 -856.340 3.245 52.125 1.00851.35 C ATOM 50339 N2 G B2393 -857.541 3.422 51.556 1.00851.35 N ATOM 50340 N3 G B2393 -856.224 2.457 53.173 1.00851.35 N ATOM 50341 C4 G B2393 -854.951 2.394 53.620 1.00851.35 C ATOM 50342 P G B2394 -853.370 -3.710 55.061 1.00851.35 P ATOM 50343 O1P G B2394 -853.166 -4.864 55.972 1.00851.35 O ATOM 50344 O2P G B2394 -852.208 -2.863 54.678 1.00851.35 O ATOM 50345 O5* G B2394 -854.056 -4.239 53.724 1.00851.35 O ATOM 50346 C5* G B2394 -855.447 -4.537 53.693 1.00851.35 C ATOM 50347 C4* G B2394 -856.104 -3.938 52.467 1.00851.35 C ATOM 50348 O4* G B2394 -856.014 -2.491 52.509 1.00851.35 O ATOM 50349 C3* G B2394 -855.461 -4.334 51.156 1.00851.35 C ATOM 50350 O3* G B2394 -856.002 -5.564 50.688 1.00851.35 O ATOM 50351 C2* G B2394 -855.837 -3.178 50.233 1.00851.35 C ATOM 50352 O2* G B2394 -857.129 -3.329 49.675 1.00851.35 O ATOM 50353 C1* G B2394 -855.840 -1.986 51.196 1.00851.35 C ATOM 50354 N9 G B2394 -854.592 -1.230 51.145 1.00851.35 N ATOM 50355 C8 G B2394 -853.398 -1.551 51.737 1.00851.35 C ATOM 50356 N7 G B2394 -852.456 -0.677 51.500 1.00851.35 N ATOM 50357 C5 G B2394 -853.069 0.281 50.706 1.00851.35 C ATOM 50358 C6 G B2394 -852.546 1.465 50.129 1.00851.35 C ATOM 50359 O6 G B2394 -851.398 1.916 50.209 1.00851.35 O ATOM 50360 N1 G B2394 -853.513 2.147 49.395 1.00851.35 N ATOM 50361 C2 G B2394 -854.815 1.739 49.234 1.00851.35 C ATOM 50362 N2 G B2394 -855.599 2.533 48.485 1.00851.35 N ATOM 50363 N3 G B2394 -855.313 0.635 49.761 1.00851.35 N ATOM 50364 C4 G B2394 -854.389 -0.043 50.479 1.00851.35 C ATOM 50365 P C B2395 -855.074 -6.577 49.854 1.00851.35 P ATOM 50366 O1P C B2395 -855.876 -7.803 49.603 1.00851.35 O ATOM 50367 O2P C B2395 -853.768 -6.691 50.549 1.00851.35 O ATOM 50368 O5* C B2395 -854.836 -5.845 48.458 1.00851.35 O ATOM 50369 C5* C B2395 -855.888 -5.734 47.499 1.00851.35 C ATOM 50370 C4* C B2395 -855.549 -4.678 46.472 1.00851.35 C ATOM 50371 O4* C B2395 -855.231 -3.446 47.168 1.00851.35 O ATOM 50372 C3* C B2395 -854.321 -4.908 45.608 1.00851.35 C ATOM 50373 O3* C B2395 -854.615 -5.750 44.493 1.00851.35 O ATOM 50374 C2* C B2395 -853.950 -3.497 45.164 1.00851.35 C ATOM 50375 O2* C B2395 -854.692 -3.063 44.045 1.00851.35 O ATOM 50376 C1* C B2395 -854.335 -2.671 46.391 1.00851.35 C ATOM 50377 N1 C B2395 -853.172 -2.343 47.227 1.00851.35 N ATOM 50378 C2 C B2395 -852.441 -1.185 46.950 1.00851.35 C ATOM 50379 O2 C B2395 -852.794 -0.466 46.002 1.00851.35 O ATOM 50380 N3 C B2395 -851.365 -0.887 47.713 1.00851.35 N ATOM 50381 C4 C B2395 -851.016 -1.691 48.722 1.00851.35 C ATOM 50382 N4 C B2395 -849.950 -1.359 49.448 1.00851.35 N ATOM 50383 C5 C B2395 -851.746 -2.873 49.029 1.00851.35 C ATOM 50384 C6 C B2395 -852.809 -3.155 48.266 1.00851.35 C ATOM 50385 P C B2396 -853.456 -6.667 43.852 1.00851.35 P ATOM 50386 O1P C B2396 -854.029 -8.025 43.656 1.00851.35 O ATOM 50387 O2P C B2396 -852.231 -6.503 44.673 1.00851.35 O ATOM 50388 O5* C B2396 -853.179 -6.035 42.409 1.00851.35 O ATOM 50389 C5* C B2396 -852.725 -4.694 42.287 1.00851.35 C ATOM 50390 C4* C B2396 -851.409 -4.617 41.545 1.00851.35 C ATOM 50391 O4* C B2396 -850.802 -3.348 41.896 1.00851.35 O ATOM 50392 C3* C B2396 -850.394 -5.655 41.968 1.00851.35 C ATOM 50393 O3* C B2396 -850.507 -6.851 41.201 1.00851.35 O ATOM 50394 C2* C B2396 -849.072 -4.945 41.709 1.00851.35 C ATOM 50395 O2* C B2396 -848.687 -4.988 40.350 1.00851.35 O ATOM 50396 C1* C B2396 -849.411 -3.511 42.105 1.00851.35 C ATOM 50397 N1 C B2396 -849.160 -3.269 43.535 1.00851.35 N ATOM 50398 C2 C B2396 -847.903 -2.809 43.950 1.00851.35 C ATOM 50399 O2 C B2396 -847.020 -2.608 43.103 1.00851.35 O ATOM 50400 N3 C B2396 -847.685 -2.597 45.267 1.00851.35 N ATOM 50401 C4 C B2396 -848.657 -2.829 46.153 1.00851.35 C ATOM 50402 N4 C B2396 -848.401 -2.611 47.441 1.00851.35 N ATOM 50403 C5 C B2396 -849.941 -3.298 45.755 1.00851.35 C ATOM 50404 C6 C B2396 -850.147 -3.500 44.452 1.00851.35 C ATOM 50405 P A B2397 -850.106 -8.265 41.864 1.00851.35 P ATOM 50406 O1P A B2397 -850.242 -9.301 40.808 1.00851.35 O ATOM 50407 O2P A B2397 -850.856 -8.415 43.135 1.00851.35 O ATOM 50408 O5* A B2397 -848.556 -8.124 42.211 1.00851.35 O ATOM 50409 C5* A B2397 -847.581 -8.020 41.177 1.00851.35 C ATOM 50410 C4* A B2397 -846.277 -7.483 41.720 1.00851.35 C ATOM 50411 O4* A B2397 -846.496 -6.231 42.421 1.00851.35 O ATOM 50412 C3* A B2397 -845.519 -8.329 42.741 1.00851.35 C ATOM 50413 O3* A B2397 -844.791 -9.400 42.156 1.00851.35 O ATOM 50414 C2* A B2397 -844.603 -7.302 43.400 1.00851.35 C ATOM 50415 O2* A B2397 -843.433 -7.054 42.650 1.00851.35 O ATOM 50416 C1* A B2397 -845.486 -6.049 43.402 1.00851.35 C ATOM 50417 N9 A B2397 -846.116 -5.823 44.699 1.00851.35 N ATOM 50418 C8 A B2397 -847.373 -6.181 45.120 1.00851.35 C ATOM 50419 N7 A B2397 -847.633 -5.839 46.361 1.00851.35 N ATOM 50420 C5 A B2397 -846.469 -5.212 46.786 1.00851.35 C ATOM 50421 C6 A B2397 -846.104 -4.619 48.007 1.00851.35 C ATOM 50422 N6 A B2397 -846.902 -4.562 49.077 1.00851.35 N ATOM 50423 N1 A B2397 -844.869 -4.080 48.096 1.00851.35 N ATOM 50424 C2 A B2397 -844.063 -4.137 47.027 1.00851.35 C ATOM 50425 N3 A B2397 -844.294 -4.665 45.829 1.00851.35 N ATOM 50426 C4 A B2397 -845.529 -5.194 45.771 1.00851.35 C ATOM 50427 P U B2398 -844.413 -10.678 43.051 1.00851.35 P ATOM 50428 O1P U B2398 -843.712 -11.655 42.179 1.00851.35 O ATOM 50429 O2P U B2398 -845.634 -11.091 43.786 1.00851.35 O ATOM 50430 O5* U B2398 -843.379 -10.108 44.118 1.00851.35 O ATOM 50431 C5* U B2398 -842.132 -9.566 43.701 1.00851.35 C ATOM 50432 C4* U B2398 -841.525 -8.744 44.812 1.00851.35 C ATOM 50433 O4* U B2398 -842.510 -7.797 45.305 1.00851.35 O ATOM 50434 C3* U B2398 -841.118 -9.526 46.047 1.00851.35 C ATOM 50435 O3* U B2398 -839.836 -10.123 45.918 1.00851.35 O ATOM 50436 C2* U B2398 -841.154 -8.467 47.141 1.00851.35 C ATOM 50437 O2* U B2398 -839.972 -7.691 47.183 1.00851.35 O ATOM 50438 C1* U B2398 -842.328 -7.595 46.694 1.00851.35 C ATOM 50439 N1 U B2398 -843.569 -7.962 47.390 1.00851.35 N ATOM 50440 C2 U B2398 -843.884 -7.254 48.529 1.00851.35 C ATOM 50441 O2 U B2398 -843.199 -6.335 48.938 1.00851.35 O ATOM 50442 N3 U B2398 -845.030 -7.656 49.168 1.00851.35 N ATOM 50443 C4 U B2398 -845.883 -8.674 48.778 1.00851.35 C ATOM 50444 O4 U B2398 -846.877 -8.929 49.461 1.00851.35 O ATOM 50445 C5 U B2398 -845.494 -9.348 47.576 1.00851.35 C ATOM 50446 C6 U B2398 -844.378 -8.979 46.939 1.00851.35 C ATOM 50447 P C B2399 -839.608 -11.617 46.465 1.00851.35 P ATOM 50448 O1P C B2399 -838.639 -12.299 45.575 1.00851.35 O ATOM 50449 O2P C B2399 -840.940 -12.212 46.688 1.00851.35 O ATOM 50450 O5* C B2399 -838.936 -11.405 47.893 1.00851.35 O ATOM 50451 C5* C B2399 -837.568 -11.043 48.005 1.00851.35 C ATOM 50452 C4* C B2399 -837.321 -10.327 49.308 1.00851.35 C ATOM 50453 O4* C B2399 -838.326 -9.293 49.490 1.00851.35 O ATOM 50454 C3* C B2399 -837.370 -11.142 50.588 1.00851.35 C ATOM 50455 O3* C B2399 -836.130 -11.784 50.835 1.00851.35 O ATOM 50456 C2* C B2399 -837.686 -10.089 51.647 1.00851.35 C ATOM 50457 O2* C B2399 -836.535 -9.393 52.078 1.00851.35 O ATOM 50458 C1* C B2399 -838.596 -9.132 50.871 1.00851.35 C ATOM 50459 N1 C B2399 -840.027 -9.383 51.101 1.00851.35 N ATOM 50460 C2 C B2399 -840.535 -9.210 52.389 1.00851.35 C ATOM 50461 O2 C B2399 -839.772 -8.847 53.291 1.00851.35 O ATOM 50462 N3 C B2399 -841.851 -9.436 52.620 1.00851.35 N ATOM 50463 C4 C B2399 -842.643 -9.827 51.624 1.00851.35 C ATOM 50464 N4 C B2399 -843.933 -10.038 51.901 1.00851.35 N ATOM 50465 C5 C B2399 -842.151 -10.016 50.297 1.00851.35 C ATOM 50466 C6 C B2399 -840.848 -9.787 50.084 1.00851.35 C ATOM 50467 P G B2400 -836.057 -12.991 51.892 1.00851.35 P ATOM 50468 O1P G B2400 -834.645 -13.457 51.922 1.00851.35 O ATOM 50469 O2P G B2400 -837.145 -13.953 51.583 1.00851.35 O ATOM 50470 O5* G B2400 -836.376 -12.292 53.291 1.00851.35 O ATOM 50471 C5* G B2400 -835.327 -12.041 54.222 1.00851.35 C ATOM 50472 C4* G B2400 -835.783 -12.304 55.640 1.00851.35 C ATOM 50473 O4* G B2400 -836.690 -11.270 56.097 1.00851.35 O ATOM 50474 C3* G B2400 -836.506 -13.618 55.883 1.00851.35 C ATOM 50475 O3* G B2400 -835.604 -14.704 56.063 1.00851.35 O ATOM 50476 C2* G B2400 -837.281 -13.322 57.168 1.00851.35 C ATOM 50477 O2* G B2400 -836.501 -13.507 58.332 1.00851.35 O ATOM 50478 C1* G B2400 -837.607 -11.834 57.016 1.00851.35 C ATOM 50479 N9 G B2400 -838.967 -11.608 56.548 1.00851.35 N ATOM 50480 C8 G B2400 -839.373 -11.393 55.256 1.00851.35 C ATOM 50481 N7 G B2400 -840.665 -11.265 55.150 1.00851.35 N ATOM 50482 C5 G B2400 -841.143 -11.392 56.446 1.00851.35 C ATOM 50483 C6 G B2400 -842.479 -11.351 56.953 1.00851.35 C ATOM 50484 O6 G B2400 -843.539 -11.205 56.341 1.00851.35 O ATOM 50485 N1 G B2400 -842.506 -11.509 58.329 1.00851.35 N ATOM 50486 C2 G B2400 -841.405 -11.696 59.121 1.00851.35 C ATOM 50487 N2 G B2400 -841.648 -11.827 60.430 1.00851.35 N ATOM 50488 N3 G B2400 -840.160 -11.748 58.664 1.00851.35 N ATOM 50489 C4 G B2400 -840.107 -11.589 57.325 1.00851.35 C ATOM 50490 P A B2401 -835.761 -16.028 55.162 1.00851.35 P ATOM 50491 O1P A B2401 -834.470 -16.254 54.462 1.00851.35 O ATOM 50492 O2P A B2401 -837.011 -15.904 54.370 1.00851.35 O ATOM 50493 O5* A B2401 -835.951 -17.205 56.220 1.00851.35 O ATOM 50494 C5* A B2401 -834.842 -17.709 56.958 1.00851.35 C ATOM 50495 C4* A B2401 -835.320 -18.391 58.219 1.00851.35 C ATOM 50496 O4* A B2401 -836.210 -17.506 58.942 1.00851.35 O ATOM 50497 C3* A B2401 -836.108 -19.675 58.060 1.00851.35 C ATOM 50498 O3* A B2401 -835.216 -20.774 57.918 1.00851.35 O ATOM 50499 C2* A B2401 -836.916 -19.747 59.351 1.00851.35 C ATOM 50500 O2* A B2401 -836.190 -20.321 60.418 1.00851.35 O ATOM 50501 C1* A B2401 -837.174 -18.266 59.647 1.00851.35 C ATOM 50502 N9 A B2401 -838.501 -17.814 59.233 1.00851.35 N ATOM 50503 C8 A B2401 -839.166 -18.098 58.067 1.00851.35 C ATOM 50504 N7 A B2401 -840.349 -17.540 57.985 1.00851.35 N ATOM 50505 C5 A B2401 -840.469 -16.840 59.178 1.00851.35 C ATOM 50506 C6 A B2401 -841.495 -16.039 59.705 1.00851.35 C ATOM 50507 N6 A B2401 -842.645 -15.797 59.073 1.00851.35 N ATOM 50508 N1 A B2401 -841.299 -15.487 60.922 1.00851.35 N ATOM 50509 C2 A B2401 -840.149 -15.730 61.558 1.00851.35 C ATOM 50510 N3 A B2401 -839.113 -16.466 61.168 1.00851.35 N ATOM 50511 C4 A B2401 -839.339 -17.000 59.955 1.00851.35 C ATOM 50512 P U B2402 -835.728 -22.138 57.238 1.00851.35 P ATOM 50513 O1P U B2402 -835.490 -22.030 55.775 1.00851.35 O ATOM 50514 O2P U B2402 -837.100 -22.415 57.735 1.00851.35 O ATOM 50515 O5* U B2402 -834.750 -23.249 57.821 1.00851.35 O ATOM 50516 C5* U B2402 -833.469 -23.466 57.236 1.00851.35 C ATOM 50517 C4* U B2402 -833.037 -24.902 57.411 1.00851.35 C ATOM 50518 O4* U B2402 -831.839 -25.178 56.643 1.00851.35 O ATOM 50519 C3* U B2402 -832.708 -25.344 58.829 1.00851.35 C ATOM 50520 O3* U B2402 -833.878 -25.709 59.554 1.00851.35 O ATOM 50521 C2* U B2402 -831.799 -26.550 58.599 1.00851.35 C ATOM 50522 O2* U B2402 -832.524 -27.745 58.385 1.00851.35 O ATOM 50523 C1* U B2402 -831.068 -26.163 57.308 1.00851.35 C ATOM 50524 N1 U B2402 -829.708 -25.653 57.524 1.00851.35 N ATOM 50525 C2 U B2402 -828.699 -26.585 57.664 1.00851.35 C ATOM 50526 O2 U B2402 -828.897 -27.787 57.612 1.00851.35 O ATOM 50527 N3 U B2402 -827.448 -26.060 57.866 1.00851.35 N ATOM 50528 C4 U B2402 -827.112 -24.725 57.940 1.00851.35 C ATOM 50529 O4 U B2402 -825.935 -24.408 58.133 1.00851.35 O ATOM 50530 C5 U B2402 -828.210 -23.821 57.782 1.00851.35 C ATOM 50531 C6 U B2402 -829.442 -24.304 57.585 1.00851.35 C ATOM 50532 P C B2403 -833.927 -25.503 61.145 1.00851.35 P ATOM 50533 O1P C B2403 -832.728 -24.715 61.534 1.00851.35 O ATOM 50534 O2P C B2403 -834.174 -26.824 61.777 1.00851.35 O ATOM 50535 O5* C B2403 -835.212 -24.588 61.367 1.00851.35 O ATOM 50536 C5* C B2403 -836.168 -24.408 60.330 1.00851.35 C ATOM 50537 C4* C B2403 -837.417 -25.199 60.633 1.00851.35 C ATOM 50538 O4* C B2403 -838.125 -24.580 61.740 1.00851.35 O ATOM 50539 C3* C B2403 -838.420 -25.225 59.494 1.00851.35 C ATOM 50540 O3* C B2403 -838.128 -26.304 58.615 1.00851.35 O ATOM 50541 C2* C B2403 -839.747 -25.425 60.214 1.00851.35 C ATOM 50542 O2* C B2403 -839.989 -26.784 60.526 1.00851.35 O ATOM 50543 C1* C B2403 -839.521 -24.644 61.511 1.00851.35 C ATOM 50544 N1 C B2403 -840.047 -23.272 61.441 1.00851.35 N ATOM 50545 C2 C B2403 -841.378 -23.043 61.808 1.00851.35 C ATOM 50546 O2 C B2403 -842.068 -23.999 62.193 1.00851.35 O ATOM 50547 N3 C B2403 -841.878 -21.788 61.734 1.00851.35 N ATOM 50548 C4 C B2403 -841.106 -20.786 61.317 1.00851.35 C ATOM 50549 N4 C B2403 -841.644 -19.565 61.254 1.00851.35 N ATOM 50550 C5 C B2403 -839.745 -20.991 60.941 1.00851.35 C ATOM 50551 C6 C B2403 -839.261 -22.236 61.018 1.00851.35 C ATOM 50552 P A B2404 -837.292 -26.029 57.271 1.00851.35 P ATOM 50553 O1P A B2404 -835.863 -25.898 57.657 1.00851.35 O ATOM 50554 O2P A B2404 -837.956 -24.925 56.533 1.00851.35 O ATOM 50555 O5* A B2404 -837.451 -27.365 56.416 1.00851.35 O ATOM 50556 C5* A B2404 -838.093 -28.505 56.979 1.00851.35 C ATOM 50557 C4* A B2404 -837.076 -29.535 57.420 1.00851.35 C ATOM 50558 O4* A B2404 -836.130 -29.802 56.354 1.00851.35 O ATOM 50559 C3* A B2404 -836.247 -29.078 58.578 1.00851.35 C ATOM 50560 O3* A B2404 -836.915 -29.260 59.828 1.00851.35 O ATOM 50561 C2* A B2404 -834.919 -29.824 58.427 1.00851.35 C ATOM 50562 O2* A B2404 -834.836 -31.054 59.116 1.00851.35 O ATOM 50563 C1* A B2404 -834.856 -30.073 56.917 1.00851.35 C ATOM 50564 N9 A B2404 -833.844 -29.296 56.202 1.00851.35 N ATOM 50565 C8 A B2404 -833.930 -28.009 55.728 1.00851.35 C ATOM 50566 N7 A B2404 -832.844 -27.602 55.117 1.00851.35 N ATOM 50567 C5 A B2404 -831.985 -28.688 55.199 1.00851.35 C ATOM 50568 C6 A B2404 -830.672 -28.897 54.740 1.00851.35 C ATOM 50569 N6 A B2404 -829.962 -27.977 54.082 1.00851.35 N ATOM 50570 N1 A B2404 -830.103 -30.095 54.986 1.00851.35 N ATOM 50571 C2 A B2404 -830.815 -31.018 55.645 1.00851.35 C ATOM 50572 N3 A B2404 -832.053 -30.943 56.127 1.00851.35 N ATOM 50573 C4 A B2404 -832.590 -29.739 55.865 1.00851.35 C ATOM 50574 P A B2405 -837.445 -30.718 60.262 1.00851.35 P ATOM 50575 O1P A B2405 -836.995 -30.944 61.658 1.00851.35 O ATOM 50576 O2P A B2405 -837.130 -31.728 59.223 1.00851.35 O ATOM 50577 O5* A B2405 -839.027 -30.546 60.283 1.00851.35 O ATOM 50578 C5* A B2405 -839.888 -31.629 59.936 1.00851.35 C ATOM 50579 C4* A B2405 -840.432 -32.273 61.188 1.00851.35 C ATOM 50580 O4* A B2405 -839.548 -31.979 62.296 1.00851.35 O ATOM 50581 C3* A B2405 -841.790 -31.779 61.631 1.00851.35 C ATOM 50582 O3* A B2405 -842.792 -32.541 60.951 1.00851.35 O ATOM 50583 C2* A B2405 -841.779 -32.030 63.133 1.00851.35 C ATOM 50584 O2* A B2405 -842.161 -33.348 63.469 1.00851.35 O ATOM 50585 C1* A B2405 -840.303 -31.817 63.482 1.00851.35 C ATOM 50586 N9 A B2405 -840.000 -30.498 64.030 1.00851.35 N ATOM 50587 C8 A B2405 -839.434 -29.427 63.386 1.00851.35 C ATOM 50588 N7 A B2405 -839.270 -28.376 64.149 1.00851.35 N ATOM 50589 C5 A B2405 -839.763 -28.780 65.383 1.00851.35 C ATOM 50590 C6 A B2405 -839.872 -28.121 66.621 1.00851.35 C ATOM 50591 N6 A B2405 -839.471 -26.866 66.828 1.00851.35 N ATOM 50592 N1 A B2405 -840.414 -28.806 67.650 1.00851.35 N ATOM 50593 C2 A B2405 -840.815 -30.068 67.440 1.00851.35 C ATOM 50594 N3 A B2405 -840.763 -30.794 66.325 1.00851.35 N ATOM 50595 C4 A B2405 -840.220 -30.083 65.321 1.00851.35 C ATOM 50596 P C B2406 -843.860 -31.798 59.998 1.00851.35 P ATOM 50597 O1P C B2406 -844.601 -30.804 60.815 1.00851.35 O ATOM 50598 O2P C B2406 -844.611 -32.844 59.264 1.00851.35 O ATOM 50599 O5* C B2406 -842.971 -31.001 58.942 1.00851.35 O ATOM 50600 C5* C B2406 -843.103 -29.588 58.799 1.00851.35 C ATOM 50601 C4* C B2406 -842.862 -29.178 57.363 1.00851.35 C ATOM 50602 O4* C B2406 -841.441 -29.184 57.087 1.00851.35 O ATOM 50603 C3* C B2406 -843.451 -30.091 56.294 1.00851.35 C ATOM 50604 O3* C B2406 -844.807 -29.735 56.035 1.00851.35 O ATOM 50605 C2* C B2406 -842.569 -29.824 55.072 1.00851.35 C ATOM 50606 O2* C B2406 -843.042 -28.743 54.293 1.00851.35 O ATOM 50607 C1* C B2406 -841.232 -29.428 55.709 1.00851.35 C ATOM 50608 N1 C B2406 -840.122 -30.386 55.558 1.00851.35 N ATOM 50609 C2 C B2406 -839.252 -30.239 54.470 1.00851.35 C ATOM 50610 O2 C B2406 -839.469 -29.340 53.647 1.00851.35 O ATOM 50611 N3 C B2406 -838.203 -31.082 54.341 1.00851.35 N ATOM 50612 C4 C B2406 -838.005 -32.042 55.244 1.00851.35 C ATOM 50613 N4 C B2406 -836.938 -32.835 55.085 1.00851.35 N ATOM 50614 C5 C B2406 -838.883 -32.231 56.353 1.00851.35 C ATOM 50615 C6 C B2406 -839.921 -31.389 56.467 1.00851.35 C ATOM 50616 P G B2407 -845.941 -30.872 55.960 1.00851.35 P ATOM 50617 O1P G B2407 -845.795 -31.736 57.160 1.00851.35 O ATOM 50618 O2P G B2407 -845.907 -31.482 54.607 1.00851.35 O ATOM 50619 O5* G B2407 -847.302 -30.052 56.106 1.00851.35 O ATOM 50620 C5* G B2407 -847.328 -28.826 56.832 1.00851.35 C ATOM 50621 C4* G B2407 -848.725 -28.529 57.325 1.00851.35 C ATOM 50622 O4* G B2407 -849.601 -28.243 56.209 1.00851.35 O ATOM 50623 C3* G B2407 -849.405 -29.650 58.081 1.00851.35 C ATOM 50624 O3* G B2407 -849.006 -29.665 59.452 1.00851.35 O ATOM 50625 C2* G B2407 -850.888 -29.333 57.897 1.00851.35 C ATOM 50626 O2* G B2407 -851.368 -28.399 58.849 1.00851.35 O ATOM 50627 C1* G B2407 -850.910 -28.687 56.507 1.00851.35 C ATOM 50628 N9 G B2407 -851.333 -29.589 55.441 1.00851.35 N ATOM 50629 C8 G B2407 -850.674 -30.710 54.997 1.00851.35 C ATOM 50630 N7 G B2407 -851.291 -31.315 54.019 1.00851.35 N ATOM 50631 C5 G B2407 -852.429 -30.551 53.808 1.00851.35 C ATOM 50632 C6 G B2407 -853.483 -30.718 52.874 1.00851.35 C ATOM 50633 O6 G B2407 -853.626 -31.601 52.022 1.00851.35 O ATOM 50634 N1 G B2407 -854.439 -29.714 52.999 1.00851.35 N ATOM 50635 C2 G B2407 -854.389 -28.685 53.905 1.00851.35 C ATOM 50636 N2 G B2407 -855.409 -27.814 53.867 1.00851.35 N ATOM 50637 N3 G B2407 -853.410 -28.518 54.782 1.00851.35 N ATOM 50638 C4 G B2407 -852.471 -29.482 54.677 1.00851.35 C ATOM 50639 P G B2408 -848.412 -31.058 59.985 1.00855.43 P ATOM 50640 O1P G B2408 -847.170 -30.770 59.225 1.00855.43 O ATOM 50641 O2P G B2408 -848.981 -32.423 59.958 1.00855.43 O ATOM 50642 O5* G B2408 -848.144 -30.693 61.515 1.00855.43 O ATOM 50643 C5* G B2408 -848.114 -29.343 61.962 1.00855.43 C ATOM 50644 C4* G B2408 -846.750 -28.742 61.720 1.00855.43 C ATOM 50645 O4* G B2408 -846.544 -28.582 60.300 1.00855.43 O ATOM 50646 C3* G B2408 -846.500 -27.355 62.324 1.00855.43 C ATOM 50647 O3* G B2408 -846.045 -27.461 63.670 1.00855.43 O ATOM 50648 C2* G B2408 -845.446 -26.765 61.393 1.00855.43 C ATOM 50649 O2* G B2408 -844.136 -27.157 61.748 1.00855.43 O ATOM 50650 C1* G B2408 -845.807 -27.406 60.048 1.00855.43 C ATOM 50651 N9 G B2408 -846.591 -26.595 59.120 1.00855.43 N ATOM 50652 C8 G B2408 -847.917 -26.254 59.204 1.00855.43 C ATOM 50653 N7 G B2408 -848.336 -25.578 58.169 1.00855.43 N ATOM 50654 C5 G B2408 -847.217 -25.458 57.357 1.00855.43 C ATOM 50655 C6 G B2408 -847.054 -24.838 56.090 1.00855.43 C ATOM 50656 O6 G B2408 -847.901 -24.260 55.398 1.00855.43 O ATOM 50657 N1 G B2408 -845.745 -24.945 55.633 1.00855.43 N ATOM 50658 C2 G B2408 -844.723 -25.567 56.302 1.00855.43 C ATOM 50659 N2 G B2408 -843.525 -25.564 55.695 1.00855.43 N ATOM 50660 N3 G B2408 -844.862 -26.155 57.479 1.00855.43 N ATOM 50661 C4 G B2408 -846.124 -26.062 57.943 1.00855.43 C ATOM 50662 P A B2409 -845.872 -26.145 64.575 1.00855.43 P ATOM 50663 O1P A B2409 -844.786 -25.323 63.984 1.00855.43 O ATOM 50664 O2P A B2409 -845.774 -26.581 65.991 1.00855.43 O ATOM 50665 O5* A B2409 -847.249 -25.370 64.396 1.00855.43 O ATOM 50666 C5* A B2409 -847.413 -24.376 63.391 1.00855.43 C ATOM 50667 C4* A B2409 -848.881 -24.103 63.189 1.00855.43 C ATOM 50668 O4* A B2409 -849.554 -25.386 63.076 1.00855.43 O ATOM 50669 C3* A B2409 -849.539 -23.438 64.360 1.00855.43 C ATOM 50670 O3* A B2409 -849.421 -22.028 64.218 1.00855.43 O ATOM 50671 C2* A B2409 -850.978 -23.918 64.275 1.00855.43 C ATOM 50672 O2* A B2409 -851.746 -23.176 63.351 1.00855.43 O ATOM 50673 C1* A B2409 -850.789 -25.348 63.772 1.00855.43 C ATOM 50674 N9 A B2409 -850.701 -26.288 64.890 1.00855.43 N ATOM 50675 C8 A B2409 -850.225 -26.027 66.153 1.00855.43 C ATOM 50676 N7 A B2409 -850.265 -27.056 66.959 1.00855.43 N ATOM 50677 C5 A B2409 -850.802 -28.069 66.177 1.00855.43 C ATOM 50678 C6 A B2409 -851.106 -29.410 66.449 1.00855.43 C ATOM 50679 N6 A B2409 -850.899 -29.989 67.634 1.00855.43 N ATOM 50680 N1 A B2409 -851.633 -30.149 65.451 1.00855.43 N ATOM 50681 C2 A B2409 -851.842 -29.568 64.263 1.00855.43 C ATOM 50682 N3 A B2409 -851.601 -28.315 63.884 1.00855.43 N ATOM 50683 C4 A B2409 -851.076 -27.608 64.898 1.00855.43 C ATOM 50684 P U B2410 -848.372 -21.223 65.132 1.00855.43 P ATOM 50685 O1P U B2410 -848.673 -19.777 65.005 1.00855.43 O ATOM 50686 O2P U B2410 -847.006 -21.718 64.824 1.00855.43 O ATOM 50687 O5* U B2410 -848.730 -21.671 66.623 1.00855.43 O ATOM 50688 C5* U B2410 -849.359 -20.769 67.530 1.00855.43 C ATOM 50689 C4* U B2410 -848.342 -20.182 68.475 1.00855.43 C ATOM 50690 O4* U B2410 -847.988 -21.153 69.492 1.00855.43 O ATOM 50691 C3* U B2410 -847.004 -19.758 67.881 1.00855.43 C ATOM 50692 O3* U B2410 -847.034 -18.506 67.206 1.00855.43 O ATOM 50693 C2* U B2410 -846.090 -19.768 69.102 1.00855.43 C ATOM 50694 O2* U B2410 -846.191 -18.587 69.870 1.00855.43 O ATOM 50695 C1* U B2410 -846.650 -20.944 69.905 1.00855.43 C ATOM 50696 N1 U B2410 -845.912 -22.203 69.712 1.00855.43 N ATOM 50697 C2 U B2410 -845.196 -22.708 70.782 1.00855.43 C ATOM 50698 O2 U B2410 -845.153 -22.158 71.870 1.00855.43 O ATOM 50699 N3 U B2410 -844.531 -23.883 70.534 1.00855.43 N ATOM 50700 C4 U B2410 -844.509 -24.591 69.349 1.00855.43 C ATOM 50701 O4 U B2410 -843.861 -25.636 69.280 1.00855.43 O ATOM 50702 C5 U B2410 -845.274 -24.006 68.291 1.00855.43 C ATOM 50703 C6 U B2410 -845.931 -22.863 68.503 1.00855.43 C ATOM 50704 P A B2411 -845.915 -18.174 66.106 1.00855.43 P ATOM 50705 O1P A B2411 -845.786 -16.698 66.027 1.00855.43 O ATOM 50706 O2P A B2411 -846.220 -18.954 64.879 1.00855.43 O ATOM 50707 O5* A B2411 -844.582 -18.762 66.748 1.00855.43 O ATOM 50708 C5* A B2411 -843.405 -18.969 65.978 1.00855.43 C ATOM 50709 C4* A B2411 -842.213 -18.470 66.752 1.00855.43 C ATOM 50710 O4* A B2411 -842.448 -17.080 67.092 1.00855.43 O ATOM 50711 C3* A B2411 -841.964 -19.158 68.088 1.00855.43 C ATOM 50712 O3* A B2411 -841.188 -20.342 67.935 1.00855.43 O ATOM 50713 C2* A B2411 -841.276 -18.077 68.907 1.00855.43 C ATOM 50714 O2* A B2411 -839.894 -17.986 68.627 1.00855.43 O ATOM 50715 C1* A B2411 -841.985 -16.815 68.403 1.00855.43 C ATOM 50716 N9 A B2411 -843.149 -16.410 69.193 1.00855.43 N ATOM 50717 C8 A B2411 -844.438 -16.293 68.735 1.00855.43 C ATOM 50718 N7 A B2411 -845.283 -15.848 69.630 1.00855.43 N ATOM 50719 C5 A B2411 -844.504 -15.668 70.764 1.00855.43 C ATOM 50720 C6 A B2411 -844.803 -15.205 72.054 1.00855.43 C ATOM 50721 N6 A B2411 -846.019 -14.817 72.440 1.00855.43 N ATOM 50722 N1 A B2411 -843.797 -15.146 72.955 1.00855.43 N ATOM 50723 C2 A B2411 -842.585 -15.537 72.570 1.00855.43 C ATOM 50724 N3 A B2411 -842.177 -15.993 71.390 1.00855.43 N ATOM 50725 C4 A B2411 -843.193 -16.031 70.515 1.00855.43 C ATOM 50726 P A B2412 -841.252 -21.488 69.060 1.00855.43 P ATOM 50727 O1P A B2412 -840.054 -22.345 68.884 1.00855.43 O ATOM 50728 O2P A B2412 -842.606 -22.099 69.028 1.00855.43 O ATOM 50729 O5* A B2412 -841.093 -20.686 70.427 1.00855.43 O ATOM 50730 C5* A B2412 -839.805 -20.439 70.980 1.00855.43 C ATOM 50731 C4* A B2412 -839.912 -20.163 72.460 1.00855.43 C ATOM 50732 O4* A B2412 -840.667 -18.943 72.682 1.00855.43 O ATOM 50733 C3* A B2412 -840.674 -21.259 73.197 1.00855.43 C ATOM 50734 O3* A B2412 -839.809 -22.305 73.619 1.00855.43 O ATOM 50735 C2* A B2412 -841.307 -20.508 74.362 1.00855.43 C ATOM 50736 O2* A B2412 -840.420 -20.348 75.450 1.00855.43 O ATOM 50737 C1* A B2412 -841.598 -19.142 73.732 1.00855.43 C ATOM 50738 N9 A B2412 -842.946 -19.074 73.167 1.00855.43 N ATOM 50739 C8 A B2412 -843.420 -19.712 72.048 1.00855.43 C ATOM 50740 N7 A B2412 -844.684 -19.476 71.799 1.00855.43 N ATOM 50741 C5 A B2412 -845.069 -18.618 72.818 1.00855.43 C ATOM 50742 C6 A B2412 -846.297 -18.004 73.125 1.00855.43 C ATOM 50743 N6 A B2412 -847.407 -18.160 72.403 1.00855.43 N ATOM 50744 N1 A B2412 -846.346 -17.210 74.213 1.00855.43 N ATOM 50745 C2 A B2412 -845.238 -17.061 74.942 1.00855.43 C ATOM 50746 N3 A B2412 -844.029 -17.579 74.759 1.00855.43 N ATOM 50747 C4 A B2412 -844.008 -18.360 73.666 1.00855.43 C ATOM 50748 P A B2413 -839.668 -23.629 72.716 1.00855.43 P ATOM 50749 O1P A B2413 -838.857 -23.272 71.526 1.00855.43 O ATOM 50750 O2P A B2413 -841.022 -24.209 72.532 1.00855.43 O ATOM 50751 O5* A B2413 -838.817 -24.630 73.615 1.00855.43 O ATOM 50752 C5* A B2413 -837.636 -24.191 74.278 1.00855.43 C ATOM 50753 C4* A B2413 -837.728 -24.470 75.759 1.00855.43 C ATOM 50754 O4* A B2413 -838.909 -23.832 76.306 1.00855.43 O ATOM 50755 C3* A B2413 -837.844 -25.939 76.148 1.00855.43 C ATOM 50756 O3* A B2413 -836.564 -26.559 76.235 1.00855.43 O ATOM 50757 C2* A B2413 -838.567 -25.876 77.489 1.00855.43 C ATOM 50758 O2* A B2413 -837.690 -25.634 78.570 1.00855.43 O ATOM 50759 C1* A B2413 -839.480 -24.660 77.302 1.00855.43 C ATOM 50760 N9 A B2413 -840.846 -24.997 76.895 1.00855.43 N ATOM 50761 C8 A B2413 -841.254 -25.885 75.930 1.00855.43 C ATOM 50762 N7 A B2413 -842.558 -25.965 75.802 1.00855.43 N ATOM 50763 C5 A B2413 -843.039 -25.067 76.744 1.00855.43 C ATOM 50764 C6 A B2413 -844.345 -24.684 77.108 1.00855.43 C ATOM 50765 N6 A B2413 -845.448 -25.178 76.541 1.00855.43 N ATOM 50766 N1 A B2413 -844.478 -23.763 78.087 1.00855.43 N ATOM 50767 C2 A B2413 -843.372 -23.269 78.654 1.00855.43 C ATOM 50768 N3 A B2413 -842.098 -23.544 78.401 1.00855.43 N ATOM 50769 C4 A B2413 -841.997 -24.463 77.423 1.00855.43 C ATOM 50770 P A B2414 -836.431 -28.154 76.086 1.00855.43 P ATOM 50771 O1P A B2414 -835.000 -28.499 76.269 1.00855.43 O ATOM 50772 O2P A B2414 -837.138 -28.578 74.851 1.00855.43 O ATOM 50773 O5* A B2414 -837.236 -28.713 77.342 1.00855.43 O ATOM 50774 C5* A B2414 -837.374 -30.115 77.575 1.00855.43 C ATOM 50775 C4* A B2414 -836.226 -30.608 78.427 1.00855.43 C ATOM 50776 O4* A B2414 -836.135 -29.797 79.623 1.00855.43 O ATOM 50777 C3* A B2414 -836.325 -32.036 78.931 1.00855.43 C ATOM 50778 O3* A B2414 -835.823 -32.942 77.944 1.00855.43 O ATOM 50779 C2* A B2414 -835.461 -32.012 80.185 1.00855.43 C ATOM 50780 O2* A B2414 -834.087 -32.192 79.904 1.00855.43 O ATOM 50781 C1* A B2414 -835.693 -30.589 80.708 1.00855.43 C ATOM 50782 N9 A B2414 -836.698 -30.508 81.768 1.00855.43 N ATOM 50783 C8 A B2414 -838.051 -30.342 81.616 1.00855.43 C ATOM 50784 N7 A B2414 -838.709 -30.295 82.750 1.00855.43 N ATOM 50785 C5 A B2414 -837.724 -30.441 83.714 1.00855.43 C ATOM 50786 C6 A B2414 -837.771 -30.472 85.122 1.00855.43 C ATOM 50787 N6 A B2414 -838.895 -30.349 85.831 1.00855.43 N ATOM 50788 N1 A B2414 -836.604 -30.637 85.783 1.00855.43 N ATOM 50789 C2 A B2414 -835.477 -30.757 85.071 1.00855.43 C ATOM 50790 N3 A B2414 -835.302 -30.740 83.751 1.00855.43 N ATOM 50791 C4 A B2414 -836.478 -30.578 83.123 1.00855.43 C ATOM 50792 P G B2415 -836.046 -34.529 78.125 1.00855.43 P ATOM 50793 O1P G B2415 -835.602 -35.188 76.869 1.00855.43 O ATOM 50794 O2P G B2415 -837.429 -34.745 78.616 1.00855.43 O ATOM 50795 O5* G B2415 -835.039 -34.953 79.289 1.00855.43 O ATOM 50796 C5* G B2415 -835.354 -36.040 80.145 1.00855.43 C ATOM 50797 C4* G B2415 -834.458 -36.052 81.365 1.00855.43 C ATOM 50798 O4* G B2415 -834.530 -34.747 81.988 1.00855.43 O ATOM 50799 C3* G B2415 -834.874 -37.013 82.449 1.00855.43 C ATOM 50800 O3* G B2415 -834.365 -38.323 82.205 1.00855.43 O ATOM 50801 C2* G B2415 -834.275 -36.367 83.691 1.00855.43 C ATOM 50802 O2* G B2415 -832.893 -36.640 83.839 1.00855.43 O ATOM 50803 C1* G B2415 -834.491 -34.886 83.391 1.00855.43 C ATOM 50804 N9 G B2415 -835.772 -34.400 83.893 1.00855.43 N ATOM 50805 C8 G B2415 -836.802 -33.895 83.136 1.00855.43 C ATOM 50806 N7 G B2415 -837.837 -33.542 83.844 1.00855.43 N ATOM 50807 C5 G B2415 -837.467 -33.832 85.150 1.00855.43 C ATOM 50808 C6 G B2415 -838.180 -33.662 86.361 1.00855.43 C ATOM 50809 O6 G B2415 -839.320 -33.205 86.525 1.00855.43 O ATOM 50810 N1 G B2415 -837.433 -34.086 87.455 1.00855.43 N ATOM 50811 C2 G B2415 -836.163 -34.607 87.392 1.00855.43 C ATOM 50812 N2 G B2415 -835.604 -34.956 88.559 1.00855.43 N ATOM 50813 N3 G B2415 -835.488 -34.769 86.270 1.00855.43 N ATOM 50814 C4 G B2415 -836.195 -34.363 85.195 1.00855.43 C ATOM 50815 P U B2416 -835.212 -39.606 82.680 1.00855.43 P ATOM 50816 O1P U B2416 -834.302 -40.777 82.622 1.00855.43 O ATOM 50817 O2P U B2416 -836.489 -39.630 81.922 1.00855.43 O ATOM 50818 O5* U B2416 -835.553 -39.324 84.213 1.00855.43 O ATOM 50819 C5* U B2416 -834.565 -39.493 85.231 1.00855.43 C ATOM 50820 C4* U B2416 -835.202 -39.440 86.601 1.00855.43 C ATOM 50821 O4* U B2416 -835.704 -38.093 86.828 1.00855.43 O ATOM 50822 C3* U B2416 -836.424 -40.311 86.786 1.00855.43 C ATOM 50823 O3* U B2416 -836.040 -41.627 87.160 1.00855.43 O ATOM 50824 C2* U B2416 -837.180 -39.612 87.908 1.00855.43 C ATOM 50825 O2* U B2416 -836.692 -39.955 89.192 1.00855.43 O ATOM 50826 C1* U B2416 -836.883 -38.143 87.612 1.00855.43 C ATOM 50827 N1 U B2416 -837.973 -37.531 86.843 1.00855.43 N ATOM 50828 C2 U B2416 -839.023 -36.971 87.542 1.00855.43 C ATOM 50829 O2 U B2416 -839.061 -36.936 88.759 1.00855.43 O ATOM 50830 N3 U B2416 -840.028 -36.454 86.762 1.00855.43 N ATOM 50831 C4 U B2416 -840.081 -36.435 85.382 1.00855.43 C ATOM 50832 O4 U B2416 -841.072 -35.964 84.820 1.00855.43 O ATOM 50833 C5 U B2416 -838.947 -37.015 84.733 1.00855.43 C ATOM 50834 C6 U B2416 -837.956 -37.528 85.466 1.00855.43 C ATOM 50835 P U B2417 -837.104 -42.828 87.036 1.00855.43 P ATOM 50836 O1P U B2417 -836.354 -44.108 87.090 1.00855.43 O ATOM 50837 O2P U B2417 -837.979 -42.540 85.870 1.00855.43 O ATOM 50838 O5* U B2417 -837.989 -42.710 88.357 1.00855.43 O ATOM 50839 C5* U B2417 -837.499 -43.165 89.615 1.00855.43 C ATOM 50840 C4* U B2417 -838.645 -43.352 90.588 1.00855.43 C ATOM 50841 O4* U B2417 -839.133 -42.050 90.993 1.00855.43 O ATOM 50842 C3* U B2417 -839.852 -44.047 89.994 1.00855.43 C ATOM 50843 O3* U B2417 -839.714 -45.456 90.136 1.00855.43 O ATOM 50844 C2* U B2417 -841.013 -43.516 90.831 1.00855.43 C ATOM 50845 O2* U B2417 -841.225 -44.248 92.023 1.00855.43 O ATOM 50846 C1* U B2417 -840.538 -42.102 91.179 1.00855.43 C ATOM 50847 N1 U B2417 -841.141 -41.063 90.338 1.00855.43 N ATOM 50848 C2 U B2417 -842.157 -40.302 90.882 1.00855.43 C ATOM 50849 O2 U B2417 -842.577 -40.473 92.015 1.00855.43 O ATOM 50850 N3 U B2417 -842.662 -39.336 90.049 1.00855.43 N ATOM 50851 C4 U B2417 -842.266 -39.062 88.757 1.00855.43 C ATOM 50852 O4 U B2417 -842.786 -38.129 88.146 1.00855.43 O ATOM 50853 C5 U B2417 -841.218 -39.902 88.267 1.00855.43 C ATOM 50854 C6 U B2417 -840.706 -40.849 89.052 1.00855.43 C ATOM 50855 P A B2418 -840.551 -46.441 89.187 1.00855.43 P ATOM 50856 O1P A B2418 -839.623 -46.951 88.144 1.00855.43 O ATOM 50857 O2P A B2418 -841.806 -45.754 88.779 1.00855.43 O ATOM 50858 O5* A B2418 -840.926 -47.655 90.145 1.00855.43 O ATOM 50859 C5* A B2418 -841.879 -47.501 91.196 1.00855.43 C ATOM 50860 C4* A B2418 -841.331 -48.071 92.482 1.00855.43 C ATOM 50861 O4* A B2418 -840.858 -49.413 92.248 1.00855.43 O ATOM 50862 C3* A B2418 -840.174 -47.312 93.162 1.00855.43 C ATOM 50863 O3* A B2418 -840.656 -46.294 94.042 1.00855.43 O ATOM 50864 C2* A B2418 -839.501 -48.429 93.967 1.00855.43 C ATOM 50865 O2* A B2418 -840.068 -48.598 95.247 1.00855.43 O ATOM 50866 C1* A B2418 -839.782 -49.678 93.121 1.00855.43 C ATOM 50867 N9 A B2418 -838.675 -50.240 92.350 1.00855.43 N ATOM 50868 C8 A B2418 -838.230 -49.854 91.110 1.00855.43 C ATOM 50869 N7 A B2418 -837.254 -50.592 90.639 1.00855.43 N ATOM 50870 C5 A B2418 -837.030 -51.521 91.647 1.00855.43 C ATOM 50871 C6 A B2418 -836.126 -52.592 91.758 1.00855.43 C ATOM 50872 N6 A B2418 -835.252 -52.928 90.808 1.00855.43 N ATOM 50873 N1 A B2418 -836.156 -53.322 92.895 1.00855.43 N ATOM 50874 C2 A B2418 -837.039 -52.992 93.844 1.00855.43 C ATOM 50875 N3 A B2418 -837.944 -52.017 93.854 1.00855.43 N ATOM 50876 C4 A B2418 -837.886 -51.308 92.710 1.00855.43 C ATOM 50877 P C B2419 -839.642 -45.235 94.703 1.00855.43 P ATOM 50878 O1P C B2419 -839.386 -44.164 93.719 1.00855.43 O ATOM 50879 O2P C B2419 -838.497 -45.994 95.275 1.00855.43 O ATOM 50880 O5* C B2419 -840.486 -44.641 95.920 1.00855.43 O ATOM 50881 C5* C B2419 -840.631 -45.391 97.127 1.00855.43 C ATOM 50882 C4* C B2419 -842.052 -45.314 97.656 1.00855.43 C ATOM 50883 O4* C B2419 -842.369 -43.975 98.109 1.00855.43 O ATOM 50884 C3* C B2419 -843.170 -45.686 96.693 1.00855.43 C ATOM 50885 O3* C B2419 -843.369 -47.096 96.644 1.00855.43 O ATOM 50886 C2* C B2419 -844.380 -44.993 97.318 1.00855.43 C ATOM 50887 O2* C B2419 -844.982 -45.765 98.338 1.00855.43 O ATOM 50888 C1* C B2419 -843.757 -43.743 97.934 1.00855.43 C ATOM 50889 N1 C B2419 -843.951 -42.527 97.128 1.00855.43 N ATOM 50890 C2 C B2419 -845.222 -41.941 97.100 1.00855.43 C ATOM 50891 O2 C B2419 -846.137 -42.462 97.759 1.00855.43 O ATOM 50892 N3 C B2419 -845.423 -40.829 96.359 1.00855.43 N ATOM 50893 C4 C B2419 -844.415 -40.299 95.663 1.00855.43 C ATOM 50894 N4 C B2419 -844.662 -39.202 94.949 1.00855.43 N ATOM 50895 C5 C B2419 -843.108 -40.872 95.675 1.00855.43 C ATOM 50896 C6 C B2419 -842.924 -41.975 96.413 1.00855.43 C ATOM 50897 P C B2420 -844.442 -47.707 95.616 1.00855.43 P ATOM 50898 O1P C B2420 -845.562 -48.255 96.424 1.00855.43 O ATOM 50899 O2P C B2420 -843.731 -48.587 94.659 1.00855.43 O ATOM 50900 O5* C B2420 -844.978 -46.433 94.831 1.00855.43 O ATOM 50901 C5* C B2420 -846.345 -46.323 94.445 1.00855.43 C ATOM 50902 C4* C B2420 -846.966 -45.095 95.070 1.00855.43 C ATOM 50903 O4* C B2420 -846.233 -43.916 94.648 1.00855.43 O ATOM 50904 C3* C B2420 -848.394 -44.832 94.654 1.00855.43 C ATOM 50905 O3* C B2420 -849.287 -45.557 95.489 1.00855.43 O ATOM 50906 C2* C B2420 -848.531 -43.325 94.835 1.00855.43 C ATOM 50907 O2* C B2420 -848.813 -42.959 96.170 1.00855.43 O ATOM 50908 C1* C B2420 -847.133 -42.839 94.451 1.00855.43 C ATOM 50909 N1 C B2420 -847.068 -42.436 93.038 1.00855.43 N ATOM 50910 C2 C B2420 -847.503 -41.154 92.683 1.00855.43 C ATOM 50911 O2 C B2420 -847.891 -40.386 93.578 1.00855.43 O ATOM 50912 N3 C B2420 -847.484 -40.783 91.383 1.00855.43 N ATOM 50913 C4 C B2420 -847.051 -41.636 90.455 1.00855.43 C ATOM 50914 N4 C B2420 -847.064 -41.236 89.180 1.00855.43 N ATOM 50915 C5 C B2420 -846.584 -42.944 90.788 1.00855.43 C ATOM 50916 C6 C B2420 -846.610 -43.296 92.082 1.00855.43 C ATOM 50917 P C B2421 -850.759 -45.917 94.948 1.00855.43 P ATOM 50918 O1P C B2421 -851.508 -46.547 96.061 1.00855.43 O ATOM 50919 O2P C B2421 -850.613 -46.639 93.659 1.00855.43 O ATOM 50920 O5* C B2421 -851.406 -44.492 94.646 1.00855.43 O ATOM 50921 C5* C B2421 -852.190 -43.829 95.633 1.00855.43 C ATOM 50922 C4* C B2421 -853.193 -42.911 94.979 1.00855.43 C ATOM 50923 O4* C B2421 -852.502 -41.810 94.333 1.00855.43 O ATOM 50924 C3* C B2421 -854.001 -43.566 93.860 1.00855.43 C ATOM 50925 O3* C B2421 -855.125 -44.326 94.272 1.00855.43 O ATOM 50926 C2* C B2421 -854.398 -42.368 93.004 1.00855.43 C ATOM 50927 O2* C B2421 -855.517 -41.679 93.524 1.00855.43 O ATOM 50928 C1* C B2421 -853.151 -41.490 93.114 1.00855.43 C ATOM 50929 N1 C B2421 -852.215 -41.738 92.006 1.00855.43 N ATOM 50930 C2 C B2421 -852.558 -41.291 90.725 1.00855.43 C ATOM 50931 O2 C B2421 -853.627 -40.682 90.573 1.00855.43 O ATOM 50932 N3 C B2421 -851.719 -41.532 89.695 1.00855.43 N ATOM 50933 C4 C B2421 -850.579 -42.185 89.902 1.00855.43 C ATOM 50934 N4 C B2421 -849.782 -42.402 88.849 1.00855.43 N ATOM 50935 C5 C B2421 -850.196 -42.645 91.197 1.00855.43 C ATOM 50936 C6 C B2421 -851.038 -42.402 92.212 1.00855.43 C ATOM 50937 P C B2422 -855.676 -45.499 93.320 1.00855.43 P ATOM 50938 O1P C B2422 -856.738 -46.211 94.072 1.00855.43 O ATOM 50939 O2P C B2422 -854.506 -46.257 92.806 1.00855.43 O ATOM 50940 O5* C B2422 -856.342 -44.718 92.098 1.00855.43 O ATOM 50941 C5* C B2422 -857.349 -43.738 92.329 1.00855.43 C ATOM 50942 C4* C B2422 -857.599 -42.916 91.080 1.00855.43 C ATOM 50943 O4* C B2422 -856.369 -42.265 90.676 1.00855.43 O ATOM 50944 C3* C B2422 -858.003 -43.677 89.825 1.00855.43 C ATOM 50945 O3* C B2422 -859.400 -43.951 89.785 1.00855.43 O ATOM 50946 C2* C B2422 -857.634 -42.709 88.707 1.00855.43 C ATOM 50947 O2* C B2422 -858.651 -41.754 88.482 1.00855.43 O ATOM 50948 C1* C B2422 -856.405 -42.007 89.284 1.00855.43 C ATOM 50949 N1 C B2422 -855.162 -42.499 88.676 1.00855.43 N ATOM 50950 C2 C B2422 -854.642 -41.811 87.574 1.00855.43 C ATOM 50951 O2 C B2422 -855.235 -40.804 87.156 1.00855.43 O ATOM 50952 N3 C B2422 -853.506 -42.262 86.990 1.00855.43 N ATOM 50953 C4 C B2422 -852.898 -43.349 87.471 1.00855.43 C ATOM 50954 N4 C B2422 -851.782 -43.757 86.863 1.00855.43 N ATOM 50955 C5 C B2422 -853.406 -44.064 88.595 1.00855.43 C ATOM 50956 C6 C B2422 -854.528 -43.607 89.164 1.00855.43 C ATOM 50957 P G B2423 -859.962 -45.053 88.754 1.00855.43 P ATOM 50958 O1P G B2423 -861.414 -45.225 89.026 1.00855.43 O ATOM 50959 O2P G B2423 -859.067 -46.237 88.787 1.00855.43 O ATOM 50960 O5* G B2423 -859.816 -44.359 87.326 1.00855.43 O ATOM 50961 C5* G B2423 -860.642 -43.262 86.959 1.00855.43 C ATOM 50962 C4* G B2423 -860.361 -42.842 85.538 1.00855.43 C ATOM 50963 O4* G B2423 -859.025 -42.284 85.428 1.00855.43 O ATOM 50964 C3* G B2423 -860.370 -43.998 84.568 1.00855.43 C ATOM 50965 O3* G B2423 -861.700 -44.268 84.149 1.00855.43 O ATOM 50966 C2* G B2423 -859.488 -43.499 83.430 1.00855.43 C ATOM 50967 O2* G B2423 -860.190 -42.694 82.505 1.00855.43 O ATOM 50968 C1* G B2423 -858.463 -42.646 84.179 1.00855.43 C ATOM 50969 N9 G B2423 -857.208 -43.350 84.422 1.00855.43 N ATOM 50970 C8 G B2423 -856.674 -43.692 85.641 1.00855.43 C ATOM 50971 N7 G B2423 -855.528 -44.313 85.542 1.00855.43 N ATOM 50972 C5 G B2423 -855.294 -44.386 84.175 1.00855.43 C ATOM 50973 C6 G B2423 -854.208 -44.953 83.459 1.00855.43 C ATOM 50974 O6 G B2423 -853.200 -45.515 83.904 1.00855.43 O ATOM 50975 N1 G B2423 -854.377 -44.818 82.085 1.00855.43 N ATOM 50976 C2 G B2423 -855.449 -44.217 81.475 1.00855.43 C ATOM 50977 N2 G B2423 -855.431 -44.194 80.136 1.00855.43 N ATOM 50978 N3 G B2423 -856.468 -43.680 82.133 1.00855.43 N ATOM 50979 C4 G B2423 -856.323 -43.803 83.472 1.00855.43 C ATOM 50980 P G B2424 -862.456 -45.566 84.717 1.00855.43 P ATOM 50981 O1P G B2424 -863.847 -45.170 85.051 1.00855.43 O ATOM 50982 O2P G B2424 -861.599 -46.184 85.757 1.00855.43 O ATOM 50983 O5* G B2424 -862.502 -46.545 83.460 1.00855.43 O ATOM 50984 C5* G B2424 -861.671 -47.698 83.399 1.00855.43 C ATOM 50985 C4* G B2424 -860.913 -47.715 82.097 1.00855.43 C ATOM 50986 O4* G B2424 -859.752 -46.853 82.197 1.00855.43 O ATOM 50987 C3* G B2424 -860.344 -49.065 81.682 1.00855.43 C ATOM 50988 O3* G B2424 -861.328 -49.860 81.025 1.00855.43 O ATOM 50989 C2* G B2424 -859.195 -48.675 80.765 1.00855.43 C ATOM 50990 O2* G B2424 -859.618 -48.400 79.445 1.00855.43 O ATOM 50991 C1* G B2424 -858.695 -47.383 81.420 1.00855.43 C ATOM 50992 N9 G B2424 -857.549 -47.596 82.298 1.00855.43 N ATOM 50993 C8 G B2424 -857.525 -47.520 83.670 1.00855.43 C ATOM 50994 N7 G B2424 -856.348 -47.765 84.177 1.00855.43 N ATOM 50995 C5 G B2424 -855.545 -48.018 83.072 1.00855.43 C ATOM 50996 C6 G B2424 -854.167 -48.343 82.990 1.00855.43 C ATOM 50997 O6 G B2424 -853.348 -48.479 83.909 1.00855.43 O ATOM 50998 N1 G B2424 -853.759 -48.515 81.673 1.00855.43 N ATOM 50999 C2 G B2424 -854.574 -48.392 80.571 1.00855.43 C ATOM 51000 N2 G B2424 -853.996 -48.599 79.380 1.00855.43 N ATOM 51001 N3 G B2424 -855.856 -48.088 80.634 1.00855.43 N ATOM 51002 C4 G B2424 -856.275 -47.915 81.905 1.00855.43 C ATOM 51003 P G B2425 -861.304 -51.457 81.197 1.00855.43 P ATOM 51004 O1P G B2425 -862.495 -51.993 80.490 1.00855.43 O ATOM 51005 O2P G B2425 -861.104 -51.771 82.634 1.00855.43 O ATOM 51006 O5* G B2425 -860.007 -51.911 80.396 1.00855.43 O ATOM 51007 C5* G B2425 -859.838 -51.560 79.026 1.00855.43 C ATOM 51008 C4* G B2425 -858.405 -51.775 78.598 1.00855.43 C ATOM 51009 O4* G B2425 -857.527 -50.946 79.399 1.00855.43 O ATOM 51010 C3* G B2425 -857.839 -53.167 78.780 1.00855.43 C ATOM 51011 O3* G B2425 -858.229 -53.993 77.684 1.00855.43 O ATOM 51012 C2* G B2425 -856.332 -52.930 78.821 1.00855.43 C ATOM 51013 O2* G B2425 -855.753 -52.864 77.536 1.00855.43 O ATOM 51014 C1* G B2425 -856.246 -51.548 79.476 1.00855.43 C ATOM 51015 N9 G B2425 -855.845 -51.586 80.880 1.00855.43 N ATOM 51016 C8 G B2425 -856.654 -51.410 81.976 1.00855.43 C ATOM 51017 N7 G B2425 -856.008 -51.491 83.109 1.00855.43 N ATOM 51018 C5 G B2425 -854.692 -51.739 82.736 1.00855.43 C ATOM 51019 C6 G B2425 -853.537 -51.924 83.531 1.00855.43 C ATOM 51020 O6 G B2425 -853.437 -51.903 84.763 1.00855.43 O ATOM 51021 N1 G B2425 -852.410 -52.154 82.748 1.00855.43 N ATOM 51022 C2 G B2425 -852.398 -52.202 81.376 1.00855.43 C ATOM 51023 N2 G B2425 -851.207 -52.443 80.803 1.00855.43 N ATOM 51024 N3 G B2425 -853.471 -52.029 80.622 1.00855.43 N ATOM 51025 C4 G B2425 -854.577 -51.802 81.363 1.00855.43 C ATOM 51026 P G B2426 -858.451 -55.569 77.911 1.00855.43 P ATOM 51027 O1P G B2426 -859.324 -56.055 76.812 1.00855.43 O ATOM 51028 O2P G B2426 -858.859 -55.791 79.321 1.00855.43 O ATOM 51029 O5* G B2426 -857.003 -56.203 77.703 1.00855.43 O ATOM 51030 C5* G B2426 -856.178 -55.796 76.613 1.00855.43 C ATOM 51031 C4* G B2426 -855.283 -56.937 76.181 1.00855.43 C ATOM 51032 O4* G B2426 -854.211 -57.093 77.144 1.00855.43 O ATOM 51033 C3* G B2426 -855.918 -58.316 76.067 1.00855.43 C ATOM 51034 O3* G B2426 -856.672 -58.515 74.867 1.00855.43 O ATOM 51035 C2* G B2426 -854.751 -59.278 76.309 1.00855.43 C ATOM 51036 O2* G B2426 -854.004 -59.681 75.179 1.00855.43 O ATOM 51037 C1* G B2426 -853.852 -58.458 77.240 1.00855.43 C ATOM 51038 N9 G B2426 -853.905 -58.857 78.642 1.00855.43 N ATOM 51039 C8 G B2426 -854.955 -59.437 79.308 1.00855.43 C ATOM 51040 N7 G B2426 -854.705 -59.649 80.572 1.00855.43 N ATOM 51041 C5 G B2426 -853.409 -59.181 80.747 1.00855.43 C ATOM 51042 C6 G B2426 -852.593 -59.140 81.908 1.00855.43 C ATOM 51043 O6 G B2426 -852.868 -59.513 83.054 1.00855.43 O ATOM 51044 N1 G B2426 -851.346 -58.592 81.636 1.00855.43 N ATOM 51045 C2 G B2426 -850.933 -58.139 80.407 1.00855.43 C ATOM 51046 N2 G B2426 -849.685 -57.647 80.347 1.00855.43 N ATOM 51047 N3 G B2426 -851.683 -58.163 79.322 1.00855.43 N ATOM 51048 C4 G B2426 -852.899 -58.696 79.564 1.00855.43 C ATOM 51049 P A B2427 -855.956 -58.379 73.431 1.00855.43 P ATOM 51050 O1P A B2427 -856.032 -59.701 72.758 1.00855.43 O ATOM 51051 O2P A B2427 -854.642 -57.708 73.583 1.00855.43 O ATOM 51052 O5* A B2427 -856.877 -57.353 72.635 1.00855.43 O ATOM 51053 C5* A B2427 -856.719 -55.951 72.844 1.00855.43 C ATOM 51054 C4* A B2427 -857.582 -55.166 71.890 1.00855.43 C ATOM 51055 O4* A B2427 -858.968 -55.216 72.322 1.00855.43 O ATOM 51056 C3* A B2427 -857.281 -53.688 71.835 1.00855.43 C ATOM 51057 O3* A B2427 -856.177 -53.459 70.971 1.00855.43 O ATOM 51058 C2* A B2427 -858.584 -53.087 71.330 1.00855.43 C ATOM 51059 O2* A B2427 -858.698 -53.166 69.925 1.00855.43 O ATOM 51060 C1* A B2427 -859.615 -53.995 72.002 1.00855.43 C ATOM 51061 N9 A B2427 -860.099 -53.404 73.251 1.00855.43 N ATOM 51062 C8 A B2427 -859.836 -53.841 74.524 1.00855.43 C ATOM 51063 N7 A B2427 -860.377 -53.104 75.460 1.00855.43 N ATOM 51064 C5 A B2427 -861.050 -52.113 74.757 1.00855.43 C ATOM 51065 C6 A B2427 -861.822 -51.018 75.176 1.00855.43 C ATOM 51066 N6 A B2427 -862.051 -50.720 76.456 1.00855.43 N ATOM 51067 N1 A B2427 -862.356 -50.225 74.222 1.00855.43 N ATOM 51068 C2 A B2427 -862.120 -50.524 72.936 1.00855.43 C ATOM 51069 N3 A B2427 -861.411 -51.524 72.421 1.00855.43 N ATOM 51070 C4 A B2427 -860.895 -52.290 73.395 1.00855.43 C ATOM 51071 P U B2428 -855.020 -52.443 71.429 1.00855.43 P ATOM 51072 O1P U B2428 -855.357 -52.008 72.811 1.00855.43 O ATOM 51073 O2P U B2428 -854.817 -51.425 70.369 1.00855.43 O ATOM 51074 O5* U B2428 -853.715 -53.352 71.518 1.00855.43 O ATOM 51075 C5* U B2428 -853.336 -53.962 72.746 1.00855.43 C ATOM 51076 C4* U B2428 -852.160 -53.229 73.345 1.00855.43 C ATOM 51077 O4* U B2428 -852.436 -51.811 73.362 1.00855.43 O ATOM 51078 C3* U B2428 -851.796 -53.610 74.777 1.00855.43 C ATOM 51079 O3* U B2428 -850.899 -54.721 74.786 1.00855.43 O ATOM 51080 C2* U B2428 -851.141 -52.333 75.313 1.00855.43 C ATOM 51081 O2* U B2428 -849.756 -52.271 75.041 1.00855.43 O ATOM 51082 C1* U B2428 -851.847 -51.232 74.511 1.00855.43 C ATOM 51083 N1 U B2428 -852.842 -50.363 75.162 1.00855.43 N ATOM 51084 C2 U B2428 -852.535 -49.031 75.398 1.00855.43 C ATOM 51085 O2 U B2428 -851.450 -48.538 75.132 1.00855.43 O ATOM 51086 N3 U B2428 -853.548 -48.293 75.958 1.00855.43 N ATOM 51087 C4 U B2428 -854.809 -48.741 76.309 1.00855.43 C ATOM 51088 O4 U B2428 -855.632 -47.944 76.756 1.00855.43 O ATOM 51089 C5 U B2428 -855.039 -50.128 76.056 1.00855.43 C ATOM 51090 C6 U B2428 -854.074 -50.873 75.510 1.00855.43 C ATOM 51091 P A B2429 -851.027 -55.867 75.905 1.00855.43 P ATOM 51092 O1P A B2429 -851.971 -56.880 75.371 1.00855.43 O ATOM 51093 O2P A B2429 -851.295 -55.237 77.221 1.00855.43 O ATOM 51094 O5* A B2429 -849.573 -56.520 75.933 1.00855.43 O ATOM 51095 C5* A B2429 -848.838 -56.691 74.725 1.00855.43 C ATOM 51096 C4* A B2429 -847.352 -56.706 75.004 1.00855.43 C ATOM 51097 O4* A B2429 -846.965 -55.485 75.682 1.00855.43 O ATOM 51098 C3* A B2429 -846.830 -57.829 75.892 1.00855.43 C ATOM 51099 O3* A B2429 -846.599 -59.026 75.159 1.00855.43 O ATOM 51100 C2* A B2429 -845.537 -57.239 76.440 1.00855.43 C ATOM 51101 O2* A B2429 -844.451 -57.375 75.547 1.00855.43 O ATOM 51102 C1* A B2429 -845.898 -55.758 76.577 1.00855.43 C ATOM 51103 N9 A B2429 -846.315 -55.407 77.933 1.00855.43 N ATOM 51104 C8 A B2429 -847.570 -55.085 78.395 1.00855.43 C ATOM 51105 N7 A B2429 -847.606 -54.823 79.680 1.00855.43 N ATOM 51106 C5 A B2429 -846.289 -54.986 80.090 1.00855.43 C ATOM 51107 C6 A B2429 -845.664 -54.854 81.342 1.00855.43 C ATOM 51108 N6 A B2429 -846.304 -54.514 82.463 1.00855.43 N ATOM 51109 N1 A B2429 -844.334 -55.086 81.406 1.00855.43 N ATOM 51110 C2 A B2429 -843.686 -55.426 80.286 1.00855.43 C ATOM 51111 N3 A B2429 -844.162 -55.582 79.053 1.00855.43 N ATOM 51112 C4 A B2429 -845.484 -55.344 79.023 1.00855.43 C ATOM 51113 P A B2430 -846.885 -60.447 75.853 1.00855.43 P ATOM 51114 O1P A B2430 -846.617 -61.500 74.836 1.00855.43 O ATOM 51115 O2P A B2430 -848.213 -60.389 76.512 1.00855.43 O ATOM 51116 O5* A B2430 -845.770 -60.557 76.985 1.00855.43 O ATOM 51117 C5* A B2430 -844.388 -60.497 76.652 1.00855.43 C ATOM 51118 C4* A B2430 -843.561 -60.247 77.891 1.00855.43 C ATOM 51119 O4* A B2430 -844.020 -59.034 78.545 1.00855.43 O ATOM 51120 C3* A B2430 -843.654 -61.320 78.955 1.00855.43 C ATOM 51121 O3* A B2430 -842.732 -62.364 78.682 1.00855.43 O ATOM 51122 C2* A B2430 -843.316 -60.559 80.231 1.00855.43 C ATOM 51123 O2* A B2430 -841.922 -60.422 80.426 1.00855.43 O ATOM 51124 C1* A B2430 -843.945 -59.192 79.950 1.00855.43 C ATOM 51125 N9 A B2430 -845.297 -59.101 80.498 1.00855.43 N ATOM 51126 C8 A B2430 -846.471 -59.415 79.861 1.00855.43 C ATOM 51127 N7 A B2430 -847.535 -59.286 80.612 1.00855.43 N ATOM 51128 C5 A B2430 -847.031 -58.845 81.829 1.00855.43 C ATOM 51129 C6 A B2430 -847.652 -58.531 83.053 1.00855.43 C ATOM 51130 N6 A B2430 -848.965 -58.612 83.259 1.00855.43 N ATOM 51131 N1 A B2430 -846.861 -58.120 84.069 1.00855.43 N ATOM 51132 C2 A B2430 -845.547 -58.036 83.859 1.00855.43 C ATOM 51133 N3 A B2430 -844.848 -58.303 82.757 1.00855.43 N ATOM 51134 C4 A B2430 -845.658 -58.714 81.769 1.00855.43 C ATOM 51135 P C B2431 -843.103 -63.873 79.094 1.00855.43 P ATOM 51136 O1P C B2431 -842.006 -64.756 78.628 1.00855.43 O ATOM 51137 O2P C B2431 -844.496 -64.141 78.658 1.00855.43 O ATOM 51138 O5* C B2431 -843.084 -63.853 80.688 1.00855.43 O ATOM 51139 C5* C B2431 -842.343 -64.823 81.423 1.00855.43 C ATOM 51140 C4* C B2431 -843.273 -65.658 82.270 1.00855.43 C ATOM 51141 O4* C B2431 -843.966 -64.803 83.216 1.00855.43 O ATOM 51142 C3* C B2431 -844.385 -66.362 81.514 1.00855.43 C ATOM 51143 O3* C B2431 -843.955 -67.603 80.962 1.00855.43 O ATOM 51144 C2* C B2431 -845.456 -66.550 82.581 1.00855.43 C ATOM 51145 O2* C B2431 -845.227 -67.690 83.390 1.00855.43 O ATOM 51146 C1* C B2431 -845.284 -65.283 83.420 1.00855.43 C ATOM 51147 N1 C B2431 -846.223 -64.219 83.039 1.00855.43 N ATOM 51148 C2 C B2431 -847.470 -64.156 83.668 1.00855.43 C ATOM 51149 O2 C B2431 -847.751 -65.006 84.528 1.00855.43 O ATOM 51150 N3 C B2431 -848.339 -63.182 83.320 1.00855.43 N ATOM 51151 C4 C B2431 -848.000 -62.287 82.388 1.00855.43 C ATOM 51152 N4 C B2431 -848.886 -61.337 82.078 1.00855.43 N ATOM 51153 C5 C B2431 -846.735 -62.327 81.733 1.00855.43 C ATOM 51154 C6 C B2431 -845.886 -63.298 82.087 1.00855.43 C ATOM 51155 P A B2432 -844.477 -68.892 79.664 1.00852.99 P ATOM 51156 O1P A B2432 -843.758 -70.123 79.246 1.00852.99 O ATOM 51157 O2P A B2432 -844.761 -67.833 78.663 1.00852.99 O ATOM 51158 O5* A B2432 -845.855 -69.327 80.333 1.00852.99 O ATOM 51159 C5* A B2432 -845.962 -70.551 81.052 1.00852.99 C ATOM 51160 C4* A B2432 -847.380 -71.066 81.010 1.00852.99 C ATOM 51161 O4* A B2432 -848.227 -70.285 81.890 1.00852.99 O ATOM 51162 C3* A B2432 -848.073 -71.026 79.660 1.00852.99 C ATOM 51163 O3* A B2432 -847.726 -72.149 78.864 1.00852.99 O ATOM 51164 C2* A B2432 -849.554 -71.013 80.036 1.00852.99 C ATOM 51165 O2* A B2432 -850.082 -72.302 80.256 1.00852.99 O ATOM 51166 C1* A B2432 -849.540 -70.232 81.356 1.00852.99 C ATOM 51167 N9 A B2432 -849.928 -68.830 81.211 1.00852.99 N ATOM 51168 C8 A B2432 -849.294 -67.713 81.700 1.00852.99 C ATOM 51169 N7 A B2432 -849.896 -66.591 81.391 1.00852.99 N ATOM 51170 C5 A B2432 -850.996 -66.992 80.647 1.00852.99 C ATOM 51171 C6 A B2432 -852.034 -66.274 80.025 1.00852.99 C ATOM 51172 N6 A B2432 -852.131 -64.941 80.050 1.00852.99 N ATOM 51173 N1 A B2432 -852.976 -66.979 79.364 1.00852.99 N ATOM 51174 C2 A B2432 -852.877 -68.315 79.338 1.00852.99 C ATOM 51175 N3 A B2432 -851.955 -69.100 79.883 1.00852.99 N ATOM 51176 C4 A B2432 -851.030 -68.370 80.533 1.00852.99 C ATOM 51177 P G B2433 -847.510 -71.973 77.280 1.00852.99 P ATOM 51178 O1P G B2433 -846.288 -72.729 76.914 1.00852.99 O ATOM 51179 O2P G B2433 -847.606 -70.527 76.954 1.00852.99 O ATOM 51180 O5* G B2433 -848.764 -72.720 76.646 1.00852.99 O ATOM 51181 C5* G B2433 -849.372 -73.815 77.323 1.00852.99 C ATOM 51182 C4* G B2433 -850.868 -73.797 77.117 1.00852.99 C ATOM 51183 O4* G B2433 -851.455 -72.637 77.759 1.00852.99 O ATOM 51184 C3* G B2433 -851.282 -73.723 75.654 1.00852.99 C ATOM 51185 O3* G B2433 -851.376 -75.032 75.093 1.00852.99 O ATOM 51186 C2* G B2433 -852.644 -73.039 75.727 1.00852.99 C ATOM 51187 O2* G B2433 -853.683 -73.956 75.994 1.00852.99 O ATOM 51188 C1* G B2433 -852.481 -72.113 76.936 1.00852.99 C ATOM 51189 N9 G B2433 -852.158 -70.732 76.598 1.00852.99 N ATOM 51190 C8 G B2433 -851.016 -70.039 76.915 1.00852.99 C ATOM 51191 N7 G B2433 -851.028 -68.807 76.482 1.00852.99 N ATOM 51192 C5 G B2433 -852.251 -68.678 75.834 1.00852.99 C ATOM 51193 C6 G B2433 -852.826 -67.570 75.161 1.00852.99 C ATOM 51194 O6 G B2433 -852.361 -66.435 75.004 1.00852.99 O ATOM 51195 N1 G B2433 -854.080 -67.876 74.643 1.00852.99 N ATOM 51196 C2 G B2433 -854.701 -69.094 74.755 1.00852.99 C ATOM 51197 N2 G B2433 -855.911 -69.193 74.180 1.00852.99 N ATOM 51198 N3 G B2433 -854.179 -70.137 75.382 1.00852.99 N ATOM 51199 C4 G B2433 -852.959 -69.861 75.892 1.00852.99 C ATOM 51200 P G B2434 -850.775 -75.316 73.629 1.00852.99 P ATOM 51201 O1P G B2434 -851.152 -76.704 73.264 1.00852.99 O ATOM 51202 O2P G B2434 -849.345 -74.916 73.620 1.00852.99 O ATOM 51203 O5* G B2434 -851.578 -74.321 72.685 1.00852.99 O ATOM 51204 C5* G B2434 -852.995 -74.420 72.554 1.00852.99 C ATOM 51205 C4* G B2434 -853.565 -73.124 72.026 1.00852.99 C ATOM 51206 O4* G B2434 -853.272 -72.035 72.939 1.00852.99 O ATOM 51207 C3* G B2434 -852.992 -72.690 70.677 1.00852.99 C ATOM 51208 O3* G B2434 -853.688 -73.292 69.592 1.00852.99 O ATOM 51209 C2* G B2434 -853.157 -71.173 70.711 1.00852.99 C ATOM 51210 O2* G B2434 -854.451 -70.762 70.312 1.00852.99 O ATOM 51211 C1* G B2434 -852.967 -70.866 72.200 1.00852.99 C ATOM 51212 N9 G B2434 -851.623 -70.420 72.573 1.00852.99 N ATOM 51213 C8 G B2434 -850.805 -70.983 73.523 1.00852.99 C ATOM 51214 N7 G B2434 -849.679 -70.343 73.673 1.00852.99 N ATOM 51215 C5 G B2434 -849.751 -69.297 72.764 1.00852.99 C ATOM 51216 C6 G B2434 -848.819 -68.259 72.473 1.00852.99 C ATOM 51217 O6 G B2434 -847.713 -68.044 72.989 1.00852.99 O ATOM 51218 N1 G B2434 -849.286 -67.421 71.470 1.00852.99 N ATOM 51219 C2 G B2434 -850.492 -67.553 70.828 1.00852.99 C ATOM 51220 N2 G B2434 -850.747 -66.637 69.879 1.00852.99 N ATOM 51221 N3 G B2434 -851.375 -68.505 71.093 1.00852.99 N ATOM 51222 C4 G B2434 -850.939 -69.338 72.064 1.00852.99 C ATOM 51223 P C B2435 -852.986 -74.459 68.742 1.00852.99 P ATOM 51224 O1P C B2435 -853.994 -75.531 68.542 1.00852.99 O ATOM 51225 O2P C B2435 -851.687 -74.786 69.383 1.00852.99 O ATOM 51226 O5* C B2435 -852.695 -73.784 67.332 1.00852.99 O ATOM 51227 C5* C B2435 -853.676 -73.799 66.299 1.00852.99 C ATOM 51228 C4* C B2435 -853.365 -72.741 65.270 1.00852.99 C ATOM 51229 O4* C B2435 -853.303 -71.444 65.915 1.00852.99 O ATOM 51230 C3* C B2435 -852.034 -72.908 64.552 1.00852.99 C ATOM 51231 O3* C B2435 -852.212 -73.726 63.402 1.00852.99 O ATOM 51232 C2* C B2435 -851.659 -71.476 64.190 1.00852.99 C ATOM 51233 O2* C B2435 -852.261 -71.043 62.985 1.00852.99 O ATOM 51234 C1* C B2435 -852.242 -70.686 65.361 1.00852.99 C ATOM 51235 N1 C B2435 -851.270 -70.424 66.432 1.00852.99 N ATOM 51236 C2 C B2435 -850.261 -69.483 66.214 1.00852.99 C ATOM 51237 O2 C B2435 -850.201 -68.911 65.113 1.00852.99 O ATOM 51238 N3 C B2435 -849.375 -69.227 67.203 1.00852.99 N ATOM 51239 C4 C B2435 -849.466 -69.878 68.366 1.00852.99 C ATOM 51240 N4 C B2435 -848.571 -69.601 69.313 1.00852.99 N ATOM 51241 C5 C B2435 -850.480 -70.846 68.610 1.00852.99 C ATOM 51242 C6 C B2435 -851.353 -71.086 67.627 1.00852.99 C ATOM 51243 P U B2436 -851.109 -74.838 63.033 1.00852.99 P ATOM 51244 O1P U B2436 -851.296 -75.176 61.600 1.00852.99 O ATOM 51245 O2P U B2436 -851.178 -75.913 64.057 1.00852.99 O ATOM 51246 O5* U B2436 -849.720 -74.073 63.192 1.00852.99 O ATOM 51247 C5* U B2436 -849.340 -73.060 62.260 1.00852.99 C ATOM 51248 C4* U B2436 -848.022 -72.424 62.659 1.00852.99 C ATOM 51249 O4* U B2436 -848.102 -71.938 64.023 1.00852.99 O ATOM 51250 C3* U B2436 -846.785 -73.319 62.626 1.00852.99 C ATOM 51251 O3* U B2436 -846.191 -73.360 61.330 1.00852.99 O ATOM 51252 C2* U B2436 -845.848 -72.603 63.599 1.00852.99 C ATOM 51253 O2* U B2436 -845.132 -71.557 62.975 1.00852.99 O ATOM 51254 C1* U B2436 -846.820 -72.006 64.621 1.00852.99 C ATOM 51255 N1 U B2436 -846.912 -72.747 65.888 1.00852.99 N ATOM 51256 C2 U B2436 -845.768 -72.821 66.680 1.00852.99 C ATOM 51257 O2 U B2436 -844.703 -72.310 66.374 1.00852.99 O ATOM 51258 N3 U B2436 -845.919 -73.521 67.851 1.00852.99 N ATOM 51259 C4 U B2436 -847.062 -74.141 68.304 1.00852.99 C ATOM 51260 O4 U B2436 -847.041 -74.724 69.389 1.00852.99 O ATOM 51261 C5 U B2436 -848.193 -74.023 67.434 1.00852.99 C ATOM 51262 C6 U B2436 -848.084 -73.348 66.283 1.00852.99 C ATOM 51263 P G B2437 -845.723 -74.768 60.694 1.00852.99 P ATOM 51264 O1P G B2437 -845.314 -74.499 59.293 1.00852.99 O ATOM 51265 O2P G B2437 -846.781 -75.772 60.969 1.00852.99 O ATOM 51266 O5* G B2437 -844.413 -75.184 61.513 1.00852.99 O ATOM 51267 C5* G B2437 -843.464 -74.212 61.955 1.00852.99 C ATOM 51268 C4* G B2437 -842.962 -74.586 63.334 1.00852.99 C ATOM 51269 O4* G B2437 -844.111 -74.995 64.107 1.00852.99 O ATOM 51270 C3* G B2437 -841.942 -75.766 63.401 1.00852.99 C ATOM 51271 O3* G B2437 -840.576 -75.354 63.445 1.00852.99 O ATOM 51272 C2* G B2437 -842.280 -76.408 64.753 1.00852.99 C ATOM 51273 O2* G B2437 -841.549 -75.861 65.826 1.00852.99 O ATOM 51274 C1* G B2437 -843.767 -76.083 64.927 1.00852.99 C ATOM 51275 N9 G B2437 -844.743 -77.144 64.721 1.00852.99 N ATOM 51276 C8 G B2437 -844.984 -77.844 63.566 1.00852.99 C ATOM 51277 N7 G B2437 -845.969 -78.695 63.677 1.00852.99 N ATOM 51278 C5 G B2437 -846.395 -78.554 64.991 1.00852.99 C ATOM 51279 C6 G B2437 -847.440 -79.206 65.695 1.00852.99 C ATOM 51280 O6 G B2437 -848.225 -80.071 65.285 1.00852.99 O ATOM 51281 N1 G B2437 -847.525 -78.763 67.012 1.00852.99 N ATOM 51282 C2 G B2437 -846.712 -77.813 67.579 1.00852.99 C ATOM 51283 N2 G B2437 -846.946 -77.522 68.867 1.00852.99 N ATOM 51284 N3 G B2437 -845.741 -77.193 66.933 1.00852.99 N ATOM 51285 C4 G B2437 -845.639 -77.610 65.650 1.00852.99 C ATOM 51286 P A B2438 -839.385 -76.424 63.285 1.00852.99 P ATOM 51287 O1P A B2438 -839.588 -77.132 61.998 1.00852.99 O ATOM 51288 O2P A B2438 -839.265 -77.205 64.542 1.00852.99 O ATOM 51289 O5* A B2438 -838.092 -75.495 63.147 1.00852.99 O ATOM 51290 C5* A B2438 -837.721 -74.901 61.900 1.00852.99 C ATOM 51291 C4* A B2438 -837.017 -73.580 62.138 1.00852.99 C ATOM 51292 O4* A B2438 -837.959 -72.603 62.643 1.00852.99 O ATOM 51293 C3* A B2438 -835.928 -73.684 63.190 1.00852.99 C ATOM 51294 O3* A B2438 -834.693 -74.028 62.569 1.00852.99 O ATOM 51295 C2* A B2438 -835.906 -72.291 63.814 1.00852.99 C ATOM 51296 O2* A B2438 -835.112 -71.373 63.092 1.00852.99 O ATOM 51297 C1* A B2438 -837.379 -71.883 63.718 1.00852.99 C ATOM 51298 N9 A B2438 -838.152 -72.211 64.915 1.00852.99 N ATOM 51299 C8 A B2438 -839.298 -72.959 64.954 1.00852.99 C ATOM 51300 N7 A B2438 -839.781 -73.128 66.158 1.00852.99 N ATOM 51301 C5 A B2438 -838.892 -72.440 66.972 1.00852.99 C ATOM 51302 C6 A B2438 -838.846 -72.250 68.360 1.00852.99 C ATOM 51303 N6 A B2438 -839.741 -72.764 69.207 1.00852.99 N ATOM 51304 N1 A B2438 -837.836 -71.506 68.861 1.00852.99 N ATOM 51305 C2 A B2438 -836.935 -70.996 68.008 1.00852.99 C ATOM 51306 N3 A B2438 -836.869 -71.115 66.681 1.00852.99 N ATOM 51307 C4 A B2438 -837.887 -71.859 66.218 1.00852.99 C ATOM 51308 P U B2439 -834.183 -75.552 62.598 1.00852.99 P ATOM 51309 O1P U B2439 -833.027 -75.645 61.668 1.00852.99 O ATOM 51310 O2P U B2439 -835.357 -76.439 62.399 1.00852.99 O ATOM 51311 O5* U B2439 -833.642 -75.758 64.081 1.00852.99 O ATOM 51312 C5* U B2439 -832.290 -75.460 64.401 1.00852.99 C ATOM 51313 C4* U B2439 -832.133 -75.190 65.880 1.00852.99 C ATOM 51314 O4* U B2439 -833.113 -74.199 66.297 1.00852.99 O ATOM 51315 C3* U B2439 -832.380 -76.369 66.794 1.00852.99 C ATOM 51316 O3* U B2439 -831.219 -77.177 66.944 1.00852.99 O ATOM 51317 C2* U B2439 -832.740 -75.697 68.111 1.00852.99 C ATOM 51318 O2* U B2439 -831.602 -75.294 68.845 1.00852.99 O ATOM 51319 C1* U B2439 -833.513 -74.465 67.633 1.00852.99 C ATOM 51320 N1 U B2439 -834.956 -74.746 67.685 1.00852.99 N ATOM 51321 C2 U B2439 -835.653 -74.200 68.745 1.00852.99 C ATOM 51322 O2 U B2439 -835.150 -73.412 69.519 1.00852.99 O ATOM 51323 N3 U B2439 -836.964 -74.598 68.856 1.00852.99 N ATOM 51324 C4 U B2439 -837.645 -75.442 68.007 1.00852.99 C ATOM 51325 O4 U B2439 -838.768 -75.836 68.337 1.00852.99 O ATOM 51326 C5 U B2439 -836.875 -75.908 66.884 1.00852.99 C ATOM 51327 C6 U B2439 -835.587 -75.554 66.766 1.00852.99 C ATOM 51328 P C B2440 -831.385 -78.737 67.303 1.00852.99 P ATOM 51329 O1P C B2440 -830.059 -79.244 67.739 1.00852.99 O ATOM 51330 O2P C B2440 -832.085 -79.402 66.173 1.00852.99 O ATOM 51331 O5* C B2440 -832.361 -78.755 68.562 1.00852.99 O ATOM 51332 C5* C B2440 -831.861 -78.545 69.884 1.00852.99 C ATOM 51333 C4* C B2440 -832.770 -79.207 70.898 1.00852.99 C ATOM 51334 O4* C B2440 -834.119 -78.693 70.756 1.00852.99 O ATOM 51335 C3* C B2440 -832.892 -80.713 70.717 1.00852.99 C ATOM 51336 O3* C B2440 -831.880 -81.400 71.442 1.00852.99 O ATOM 51337 C2* C B2440 -834.280 -81.014 71.271 1.00852.99 C ATOM 51338 O2* C B2440 -834.287 -81.157 72.675 1.00852.99 O ATOM 51339 C1* C B2440 -835.053 -79.752 70.881 1.00852.99 C ATOM 51340 N1 C B2440 -835.769 -79.888 69.602 1.00852.99 N ATOM 51341 C2 C B2440 -836.833 -80.797 69.509 1.00852.99 C ATOM 51342 O2 C B2440 -837.137 -81.471 70.503 1.00852.99 O ATOM 51343 N3 C B2440 -837.495 -80.916 68.335 1.00852.99 N ATOM 51344 C4 C B2440 -837.131 -80.177 67.286 1.00852.99 C ATOM 51345 N4 C B2440 -837.817 -80.328 66.151 1.00852.99 N ATOM 51346 C5 C B2440 -836.049 -79.252 67.350 1.00852.99 C ATOM 51347 C6 C B2440 -835.403 -79.140 68.518 1.00852.99 C ATOM 51348 P U B2441 -831.036 -82.562 70.720 1.00852.99 P ATOM 51349 O1P U B2441 -829.757 -82.696 71.459 1.00852.99 O ATOM 51350 O2P U B2441 -831.018 -82.292 69.262 1.00852.99 O ATOM 51351 O5* U B2441 -831.895 -83.882 70.977 1.00852.99 O ATOM 51352 C5* U B2441 -831.810 -84.568 72.224 1.00852.99 C ATOM 51353 C4* U B2441 -832.903 -85.603 72.345 1.00852.99 C ATOM 51354 O4* U B2441 -834.209 -84.979 72.237 1.00852.99 O ATOM 51355 C3* U B2441 -832.907 -86.696 71.295 1.00852.99 C ATOM 51356 O3* U B2441 -832.021 -87.736 71.688 1.00852.99 O ATOM 51357 C2* U B2441 -834.353 -87.172 71.306 1.00852.99 C ATOM 51358 O2* U B2441 -834.608 -88.123 72.320 1.00852.99 O ATOM 51359 C1* U B2441 -835.113 -85.881 71.620 1.00852.99 C ATOM 51360 N1 U B2441 -835.673 -85.258 70.412 1.00852.99 N ATOM 51361 C2 U B2441 -836.947 -85.642 70.049 1.00852.99 C ATOM 51362 O2 U B2441 -837.595 -86.456 70.687 1.00852.99 O ATOM 51363 N3 U B2441 -837.429 -85.048 68.908 1.00852.99 N ATOM 51364 C4 U B2441 -836.780 -84.124 68.117 1.00852.99 C ATOM 51365 O4 U B2441 -837.340 -83.690 67.110 1.00852.99 O ATOM 51366 C5 U B2441 -835.465 -83.775 68.562 1.00852.99 C ATOM 51367 C6 U B2441 -834.968 -84.337 69.672 1.00852.99 C ATOM 51368 P C B2442 -831.354 -88.674 70.565 1.00852.99 P ATOM 51369 O1P C B2442 -830.616 -89.750 71.273 1.00852.99 O ATOM 51370 O2P C B2442 -830.633 -87.798 69.606 1.00852.99 O ATOM 51371 O5* C B2442 -832.594 -89.329 69.813 1.00852.99 O ATOM 51372 C5* C B2442 -833.211 -90.510 70.325 1.00852.99 C ATOM 51373 C4* C B2442 -834.155 -91.113 69.304 1.00852.99 C ATOM 51374 O4* C B2442 -835.273 -90.212 69.085 1.00852.99 O ATOM 51375 C3* C B2442 -833.582 -91.342 67.925 1.00852.99 C ATOM 51376 O3* C B2442 -832.924 -92.601 67.855 1.00852.99 O ATOM 51377 C2* C B2442 -834.817 -91.341 67.036 1.00852.99 C ATOM 51378 O2* C B2442 -835.462 -92.601 66.998 1.00852.99 O ATOM 51379 C1* C B2442 -835.718 -90.330 67.744 1.00852.99 C ATOM 51380 N1 C B2442 -835.662 -89.014 67.096 1.00852.99 N ATOM 51381 C2 C B2442 -836.577 -88.743 66.075 1.00852.99 C ATOM 51382 O2 C B2442 -837.405 -89.616 65.772 1.00852.99 O ATOM 51383 N3 C B2442 -836.538 -87.545 65.449 1.00852.99 N ATOM 51384 C4 C B2442 -835.625 -86.636 65.807 1.00852.99 C ATOM 51385 N4 C B2442 -835.613 -85.471 65.157 1.00852.99 N ATOM 51386 C5 C B2442 -834.683 -86.888 66.850 1.00852.99 C ATOM 51387 C6 C B2442 -834.739 -88.077 67.461 1.00852.99 C ATOM 51388 P C B2443 -831.964 -92.925 66.604 1.00852.99 P ATOM 51389 O1P C B2443 -831.176 -94.136 66.956 1.00852.99 O ATOM 51390 O2P C B2443 -831.256 -91.676 66.224 1.00852.99 O ATOM 51391 O5* C B2443 -832.960 -93.313 65.422 1.00852.99 O ATOM 51392 C5* C B2443 -833.654 -94.557 65.430 1.00852.99 C ATOM 51393 C4* C B2443 -834.619 -94.642 64.264 1.00852.99 C ATOM 51394 O4* C B2443 -835.611 -93.590 64.385 1.00852.99 O ATOM 51395 C3* C B2443 -834.055 -94.456 62.863 1.00852.99 C ATOM 51396 O3* C B2443 -833.494 -95.651 62.331 1.00852.99 O ATOM 51397 C2* C B2443 -835.282 -94.025 62.068 1.00852.99 C ATOM 51398 O2* C B2443 -836.072 -95.123 61.655 1.00852.99 O ATOM 51399 C1* C B2443 -836.053 -93.201 63.095 1.00852.99 C ATOM 51400 N1 C B2443 -835.821 -91.760 62.930 1.00852.99 N ATOM 51401 C2 C B2443 -836.685 -91.035 62.106 1.00852.99 C ATOM 51402 O2 C B2443 -837.630 -91.628 61.561 1.00852.99 O ATOM 51403 N3 C B2443 -836.475 -89.710 61.921 1.00852.99 N ATOM 51404 C4 C B2443 -835.447 -89.111 62.525 1.00852.99 C ATOM 51405 N4 C B2443 -835.276 -87.805 62.310 1.00852.99 N ATOM 51406 C5 C B2443 -834.556 -89.821 63.380 1.00852.99 C ATOM 51407 C6 C B2443 -834.780 -91.133 63.552 1.00852.99 C ATOM 51408 P C B2444 -832.466 -95.561 61.094 1.00852.99 P ATOM 51409 O1P C B2444 -831.917 -96.922 60.877 1.00852.99 O ATOM 51410 O2P C B2444 -831.539 -94.428 61.343 1.00852.99 O ATOM 51411 O5* C B2444 -833.383 -95.192 59.842 1.00852.99 O ATOM 51412 C5* C B2444 -834.310 -96.135 59.314 1.00852.99 C ATOM 51413 C4* C B2444 -835.044 -95.552 58.125 1.00852.99 C ATOM 51414 O4* C B2444 -835.719 -94.333 58.532 1.00852.99 O ATOM 51415 C3* C B2444 -834.218 -95.145 56.924 1.00852.99 C ATOM 51416 O3* C B2444 -834.011 -96.269 56.077 1.00852.99 O ATOM 51417 C2* C B2444 -835.095 -94.100 56.242 1.00852.99 C ATOM 51418 O2* C B2444 -836.076 -94.673 55.405 1.00852.99 O ATOM 51419 C1* C B2444 -835.768 -93.428 57.441 1.00852.99 C ATOM 51420 N1 C B2444 -835.093 -92.180 57.830 1.00852.99 N ATOM 51421 C2 C B2444 -835.378 -91.013 57.118 1.00852.99 C ATOM 51422 O2 C B2444 -836.199 -91.067 56.191 1.00852.99 O ATOM 51423 N3 C B2444 -834.754 -89.862 57.450 1.00852.99 N ATOM 51424 C4 C B2444 -833.875 -89.848 58.457 1.00852.99 C ATOM 51425 N4 C B2444 -833.277 -88.690 58.742 1.00852.99 N ATOM 51426 C5 C B2444 -833.567 -91.022 59.204 1.00852.99 C ATOM 51427 C6 C B2444 -834.197 -92.155 58.862 1.00852.99 C ATOM 51428 P C B2445 -832.946 -96.173 54.873 1.00852.99 P ATOM 51429 O1P C B2445 -832.858 -97.514 54.246 1.00852.99 O ATOM 51430 O2P C B2445 -831.719 -95.514 55.386 1.00852.99 O ATOM 51431 O5* C B2445 -833.636 -95.197 53.816 1.00852.99 O ATOM 51432 C5* C B2445 -833.912 -95.643 52.490 1.00852.99 C ATOM 51433 C4* C B2445 -833.031 -94.924 51.493 1.00852.99 C ATOM 51434 O4* C B2445 -833.038 -93.502 51.777 1.00852.99 O ATOM 51435 C3* C B2445 -831.572 -95.327 51.531 1.00852.99 C ATOM 51436 O3* C B2445 -831.359 -96.459 50.693 1.00852.99 O ATOM 51437 C2* C B2445 -830.862 -94.087 51.002 1.00852.99 C ATOM 51438 O2* C B2445 -830.840 -94.039 49.589 1.00852.99 O ATOM 51439 C1* C B2445 -831.751 -92.962 51.534 1.00852.99 C ATOM 51440 N1 C B2445 -831.245 -92.382 52.788 1.00852.99 N ATOM 51441 C2 C B2445 -830.273 -91.377 52.722 1.00852.99 C ATOM 51442 O2 C B2445 -829.881 -90.995 51.612 1.00852.99 O ATOM 51443 N3 C B2445 -829.786 -90.852 53.869 1.00852.99 N ATOM 51444 C4 C B2445 -830.236 -91.292 55.047 1.00852.99 C ATOM 51445 N4 C B2445 -829.728 -90.749 56.154 1.00852.99 N ATOM 51446 C5 C B2445 -831.232 -92.307 55.143 1.00852.99 C ATOM 51447 C6 C B2445 -831.706 -92.819 53.998 1.00852.99 C ATOM 51448 P C B2446 -830.858 -97.848 51.336 1.00852.99 P ATOM 51449 O1P C B2446 -831.846 -98.891 50.977 1.00852.99 O ATOM 51450 O2P C B2446 -830.541 -97.597 52.768 1.00852.99 O ATOM 51451 O5* C B2446 -829.493 -98.173 50.580 1.00852.99 O ATOM 51452 C5* C B2446 -829.484 -98.592 49.218 1.00852.99 C ATOM 51453 C4* C B2446 -828.520 -97.742 48.421 1.00852.99 C ATOM 51454 O4* C B2446 -828.847 -96.352 48.671 1.00852.99 O ATOM 51455 C3* C B2446 -827.050 -97.885 48.813 1.00852.99 C ATOM 51456 O3* C B2446 -826.380 -98.916 48.087 1.00852.99 O ATOM 51457 C2* C B2446 -826.475 -96.514 48.478 1.00852.99 C ATOM 51458 O2* C B2446 -826.093 -96.398 47.123 1.00852.99 O ATOM 51459 C1* C B2446 -827.661 -95.591 48.762 1.00852.99 C ATOM 51460 N1 C B2446 -827.639 -94.945 50.080 1.00852.99 N ATOM 51461 C2 C B2446 -827.472 -93.557 50.153 1.00852.99 C ATOM 51462 O2 C B2446 -827.334 -92.917 49.099 1.00852.99 O ATOM 51463 N3 C B2446 -827.464 -92.956 51.363 1.00852.99 N ATOM 51464 C4 C B2446 -827.616 -93.685 52.472 1.00852.99 C ATOM 51465 N4 C B2446 -827.608 -93.048 53.643 1.00852.99 N ATOM 51466 C5 C B2446 -827.787 -95.097 52.429 1.00852.99 C ATOM 51467 C6 C B2446 -827.789 -95.682 51.224 1.00852.99 C ATOM 51468 P G B2447 -824.923 -99.416 48.555 1.00852.99 P ATOM 51469 O1P G B2447 -824.564-100.589 47.714 1.00852.99 O ATOM 51470 O2P G B2447 -824.940 -99.557 50.035 1.00852.99 O ATOM 51471 O5* G B2447 -823.941 -98.220 48.180 1.00852.99 O ATOM 51472 C5* G B2447 -823.513 -97.997 46.836 1.00852.99 C ATOM 51473 C4* G B2447 -822.585 -96.808 46.792 1.00852.99 C ATOM 51474 O4* G B2447 -823.300 -95.660 47.313 1.00852.99 O ATOM 51475 C3* G B2447 -821.322 -96.863 47.635 1.00852.99 C ATOM 51476 O3* G B2447 -820.282 -97.578 46.958 1.00852.99 O ATOM 51477 C2* G B2447 -820.997 -95.390 47.868 1.00852.99 C ATOM 51478 O2* G B2447 -820.279 -94.812 46.795 1.00852.99 O ATOM 51479 C1* G B2447 -822.396 -94.766 47.934 1.00852.99 C ATOM 51480 N9 G B2447 -822.903 -94.528 49.280 1.00852.99 N ATOM 51481 C8 G B2447 -823.726 -95.357 50.000 1.00852.99 C ATOM 51482 N7 G B2447 -824.047 -94.879 51.169 1.00852.99 N ATOM 51483 C5 G B2447 -823.395 -93.658 51.228 1.00852.99 C ATOM 51484 C6 G B2447 -823.375 -92.680 52.255 1.00852.99 C ATOM 51485 O6 G B2447 -823.949 -92.701 53.350 1.00852.99 O ATOM 51486 N1 G B2447 -822.585 -91.590 51.907 1.00852.99 N ATOM 51487 C2 G B2447 -821.901 -91.460 50.722 1.00852.99 C ATOM 51488 N2 G B2447 -821.190 -90.335 50.577 1.00852.99 N ATOM 51489 N3 G B2447 -821.916 -92.360 49.754 1.00852.99 N ATOM 51490 C4 G B2447 -822.677 -93.426 50.073 1.00852.99 C ATOM 51491 P A B2448 -818.854 -97.791 47.667 1.00852.99 P ATOM 51492 O1P A B2448 -818.030 -98.635 46.768 1.00852.99 O ATOM 51493 O2P A B2448 -819.073 -98.214 49.076 1.00852.99 O ATOM 51494 O5* A B2448 -818.222 -96.325 47.684 1.00852.99 O ATOM 51495 C5* A B2448 -817.292 -95.963 48.693 1.00852.99 C ATOM 51496 C4* A B2448 -816.928 -94.499 48.600 1.00852.99 C ATOM 51497 O4* A B2448 -818.133 -93.748 48.902 1.00852.99 O ATOM 51498 C3* A B2448 -815.934 -94.011 49.631 1.00852.99 C ATOM 51499 O3* A B2448 -814.595 -94.214 49.181 1.00852.99 O ATOM 51500 C2* A B2448 -816.286 -92.536 49.775 1.00852.99 C ATOM 51501 O2* A B2448 -815.699 -91.717 48.785 1.00852.99 O ATOM 51502 C1* A B2448 -817.806 -92.567 49.606 1.00852.99 C ATOM 51503 N9 A B2448 -818.504 -92.616 50.893 1.00852.99 N ATOM 51504 C8 A B2448 -819.312 -93.625 51.386 1.00852.99 C ATOM 51505 N7 A B2448 -819.766 -93.401 52.607 1.00852.99 N ATOM 51506 C5 A B2448 -819.233 -92.156 52.918 1.00852.99 C ATOM 51507 C6 A B2448 -819.334 -91.374 54.061 1.00852.99 C ATOM 51508 N6 A B2448 -820.030 -91.778 55.140 1.00852.99 N ATOM 51509 N1 A B2448 -818.692 -90.176 54.069 1.00852.99 N ATOM 51510 C2 A B2448 -817.982 -89.819 52.981 1.00852.99 C ATOM 51511 N3 A B2448 -817.802 -90.483 51.840 1.00852.99 N ATOM 51512 C4 A B2448 -818.463 -91.656 51.873 1.00852.99 C ATOM 51513 P G B2449 -813.689 -95.365 49.843 1.00852.99 P ATOM 51514 O1P G B2449 -812.333 -95.260 49.241 1.00852.99 O ATOM 51515 O2P G B2449 -814.428 -96.648 49.760 1.00852.99 O ATOM 51516 O5* G B2449 -813.574 -94.947 51.376 1.00852.99 O ATOM 51517 C5* G B2449 -812.549 -94.064 51.820 1.00852.99 C ATOM 51518 C4* G B2449 -812.651 -93.843 53.311 1.00852.99 C ATOM 51519 O4* G B2449 -813.880 -93.128 53.608 1.00852.99 O ATOM 51520 C3* G B2449 -812.740 -95.082 54.187 1.00852.99 C ATOM 51521 O3* G B2449 -811.464 -95.656 54.444 1.00852.99 O ATOM 51522 C2* G B2449 -813.391 -94.546 55.455 1.00852.99 C ATOM 51523 O2* G B2449 -812.466 -93.922 56.322 1.00852.99 O ATOM 51524 C1* G B2449 -814.357 -93.503 54.891 1.00852.99 C ATOM 51525 N9 G B2449 -815.700 -94.054 54.744 1.00852.99 N ATOM 51526 C8 G B2449 -816.405 -94.235 53.577 1.00852.99 C ATOM 51527 N7 G B2449 -817.572 -94.792 53.766 1.00852.99 N ATOM 51528 C5 G B2449 -817.649 -94.975 55.142 1.00852.99 C ATOM 51529 C6 G B2449 -818.678 -95.545 55.940 1.00852.99 C ATOM 51530 O6 G B2449 -819.762 -96.022 55.583 1.00852.99 O ATOM 51531 N1 G B2449 -818.345 -95.529 57.290 1.00852.99 N ATOM 51532 C2 G B2449 -817.174 -95.037 57.807 1.00852.99 C ATOM 51533 N2 G B2449 -817.043 -95.110 59.138 1.00852.99 N ATOM 51534 N3 G B2449 -816.203 -94.513 57.075 1.00852.99 N ATOM 51535 C4 G B2449 -816.506 -94.514 55.759 1.00852.99 C ATOM 51536 P A B2450 -811.371 -97.192 54.908 1.00852.99 P ATOM 51537 O1P A B2450 -809.972 -97.645 54.682 1.00852.99 O ATOM 51538 O2P A B2450 -812.491 -97.936 54.275 1.00852.99 O ATOM 51539 O5* A B2450 -811.632 -97.142 56.480 1.00852.99 O ATOM 51540 C5* A B2450 -810.919 -96.227 57.306 1.00852.99 C ATOM 51541 C4* A B2450 -811.172 -96.525 58.768 1.00852.99 C ATOM 51542 O4* A B2450 -812.532 -96.165 59.119 1.00852.99 O ATOM 51543 C3* A B2450 -811.046 -97.977 59.198 1.00852.99 C ATOM 51544 O3* A B2450 -809.699 -98.369 59.444 1.00852.99 O ATOM 51545 C2* A B2450 -811.890 -98.022 60.469 1.00852.99 C ATOM 51546 O2* A B2450 -811.179 -97.580 61.605 1.00852.99 O ATOM 51547 C1* A B2450 -813.005 -97.029 60.141 1.00852.99 C ATOM 51548 N9 A B2450 -814.221 -97.686 59.663 1.00852.99 N ATOM 51549 C8 A B2450 -814.737 -97.677 58.388 1.00852.99 C ATOM 51550 N7 A B2450 -815.834 -98.378 58.260 1.00852.99 N ATOM 51551 C5 A B2450 -816.063 -98.880 59.533 1.00852.99 C ATOM 51552 C6 A B2450 -817.073 -99.708 60.056 1.00852.99 C ATOM 51553 N6 A B2450 -818.081-100.197 59.332 1.00852.99 N ATOM 51554 N1 A B2450 -817.008-100.025 61.370 1.00852.99 N ATOM 51555 C2 A B2450 -815.995 -99.538 62.095 1.00852.99 C ATOM 51556 N3 A B2450 -814.986 -98.751 61.718 1.00852.99 N ATOM 51557 C4 A B2450 -815.081 -98.458 60.410 1.00852.99 C ATOM 51558 P G B2451 -809.131 -99.724 58.791 1.00852.99 P ATOM 51559 O1P G B2451 -807.658 -99.727 58.969 1.00852.99 O ATOM 51560 O2P G B2451 -809.707 -99.862 57.429 1.00852.99 O ATOM 51561 O5* G B2451 -809.744-100.878 59.703 1.00852.99 O ATOM 51562 C5* G B2451 -809.756-100.774 61.125 1.00852.99 C ATOM 51563 C4* G B2451 -810.919-101.551 61.688 1.00852.99 C ATOM 51564 O4* G B2451 -812.154-100.916 61.276 1.00852.99 O ATOM 51565 C3* G B2451 -811.038-102.968 61.166 1.00852.99 C ATOM 51566 O3* G B2451 -810.202-103.850 61.904 1.00852.99 O ATOM 51567 C2* G B2451 -812.522-103.268 61.314 1.00852.99 C ATOM 51568 O2* G B2451 -812.863-103.689 62.620 1.00852.99 O ATOM 51569 C1* G B2451 -813.145-101.900 61.033 1.00852.99 C ATOM 51570 N9 G B2451 -813.584-101.737 59.653 1.00852.99 N ATOM 51571 C8 G B2451 -812.896-101.092 58.653 1.00852.99 C ATOM 51572 N7 G B2451 -813.530-101.087 57.512 1.00852.99 N ATOM 51573 C5 G B2451 -814.709-101.774 57.773 1.00852.99 C ATOM 51574 C6 G B2451 -815.794-102.090 56.917 1.00852.99 C ATOM 51575 O6 G B2451 -815.938-101.812 55.721 1.00852.99 O ATOM 51576 N1 G B2451 -816.781-102.808 57.586 1.00852.99 N ATOM 51577 C2 G B2451 -816.732-103.171 58.909 1.00852.99 C ATOM 51578 N2 G B2451 -817.782-103.865 59.370 1.00852.99 N ATOM 51579 N3 G B2451 -815.725-102.880 59.720 1.00852.99 N ATOM 51580 C4 G B2451 -814.755-102.185 59.090 1.00852.99 C ATOM 51581 P U B2452 -809.346-104.972 61.136 1.00852.99 P ATOM 51582 O1P U B2452 -810.303-105.981 60.614 1.00852.99 O ATOM 51583 O2P U B2452 -808.238-105.401 62.024 1.00852.99 O ATOM 51584 O5* U B2452 -808.716-104.200 59.889 1.00852.99 O ATOM 51585 C5* U B2452 -807.477-103.501 60.004 1.00852.99 C ATOM 51586 C4* U B2452 -806.456-104.090 59.059 1.00852.99 C ATOM 51587 O4* U B2452 -806.062-105.400 59.532 1.00852.99 O ATOM 51588 C3* U B2452 -806.971-104.314 57.639 1.00852.99 C ATOM 51589 O3* U B2452 -806.793-103.163 56.819 1.00852.99 O ATOM 51590 C2* U B2452 -806.107-105.473 57.147 1.00852.99 C ATOM 51591 O2* U B2452 -804.868-105.043 56.628 1.00852.99 O ATOM 51592 C1* U B2452 -805.870-106.270 58.434 1.00852.99 C ATOM 51593 N1 U B2452 -806.732-107.445 58.614 1.00852.99 N ATOM 51594 C2 U B2452 -806.558-108.523 57.764 1.00852.99 C ATOM 51595 O2 U B2452 -805.735-108.530 56.863 1.00852.99 O ATOM 51596 N3 U B2452 -807.381-109.593 58.007 1.00852.99 N ATOM 51597 C4 U B2452 -808.344-109.694 58.990 1.00852.99 C ATOM 51598 O4 U B2452 -808.997-110.735 59.096 1.00852.99 O ATOM 51599 C5 U B2452 -808.473-108.538 59.822 1.00852.99 C ATOM 51600 C6 U B2452 -807.683-107.478 59.609 1.00852.99 C ATOM 51601 P C B2453 -808.061-102.251 56.431 1.00852.99 P ATOM 51602 O1P C B2453 -807.544-100.880 56.182 1.00852.99 O ATOM 51603 O2P C B2453 -809.127-102.461 57.443 1.00852.99 O ATOM 51604 O5* C B2453 -808.563-102.845 55.039 1.00852.99 O ATOM 51605 C5* C B2453 -807.845-102.599 53.833 1.00852.99 C ATOM 51606 C4* C B2453 -808.341-103.505 52.731 1.00852.99 C ATOM 51607 O4* C B2453 -808.044-104.885 53.069 1.00852.99 O ATOM 51608 C3* C B2453 -809.869-103.418 52.588 1.00852.99 C ATOM 51609 O3* C B2453 -810.303-102.444 51.642 1.00852.99 O ATOM 51610 C2* C B2453 -810.247-104.827 52.140 1.00852.99 C ATOM 51611 O2* C B2453 -810.138-104.998 50.741 1.00852.99 O ATOM 51612 C1* C B2453 -809.185-105.686 52.835 1.00852.99 C ATOM 51613 N1 C B2453 -809.615-106.277 54.112 1.00852.99 N ATOM 51614 C2 C B2453 -810.630-107.239 54.100 1.00852.99 C ATOM 51615 O2 C B2453 -811.148-107.551 53.017 1.00852.99 O ATOM 51616 N3 C B2453 -811.019-107.810 55.263 1.00852.99 N ATOM 51617 C4 C B2453 -810.437-107.445 56.408 1.00852.99 C ATOM 51618 N4 C B2453 -810.843-108.040 57.535 1.00852.99 N ATOM 51619 C5 C B2453 -809.407-106.460 56.453 1.00852.99 C ATOM 51620 C6 C B2453 -809.030-105.907 55.292 1.00852.99 C ATOM 51621 P C B2454 -811.544-101.486 51.989 1.00852.99 P ATOM 51622 O1P C B2454 -811.858-100.704 50.765 1.00852.99 O ATOM 51623 O2P C B2454 -811.238-100.768 53.255 1.00852.99 O ATOM 51624 O5* C B2454 -812.751-102.486 52.262 1.00852.99 O ATOM 51625 C5* C B2454 -813.282-103.310 51.223 1.00852.99 C ATOM 51626 C4* C B2454 -814.119-104.409 51.826 1.00852.99 C ATOM 51627 O4* C B2454 -813.276-105.201 52.699 1.00852.99 O ATOM 51628 C3* C B2454 -815.284-103.958 52.690 1.00852.99 C ATOM 51629 O3* C B2454 -816.448-103.770 51.888 1.00852.99 O ATOM 51630 C2* C B2454 -815.449-105.110 53.677 1.00852.99 C ATOM 51631 O2* C B2454 -816.233-106.164 53.155 1.00852.99 O ATOM 51632 C1* C B2454 -814.005-105.598 53.848 1.00852.99 C ATOM 51633 N1 C B2454 -813.303-105.054 55.023 1.00852.99 N ATOM 51634 C2 C B2454 -813.593-105.569 56.293 1.00852.99 C ATOM 51635 O2 C B2454 -814.475-106.435 56.410 1.00852.99 O ATOM 51636 N3 C B2454 -812.912-105.108 57.360 1.00852.99 N ATOM 51637 C4 C B2454 -811.981-104.164 57.205 1.00852.99 C ATOM 51638 N4 C B2454 -811.326-103.748 58.289 1.00852.99 N ATOM 51639 C5 C B2454 -811.685-103.605 55.928 1.00852.99 C ATOM 51640 C6 C B2454 -812.359-104.075 54.874 1.00852.99 C ATOM 51641 P A B2455 -817.054-102.290 51.687 1.00852.99 P ATOM 51642 O1P A B2455 -816.468-101.741 50.438 1.00852.99 O ATOM 51643 O2P A B2455 -816.904-101.540 52.959 1.00852.99 O ATOM 51644 O5* A B2455 -818.602-102.543 51.428 1.00852.99 O ATOM 51645 C5* A B2455 -819.388-103.227 52.393 1.00852.99 C ATOM 51646 C4* A B2455 -819.679-102.321 53.558 1.00852.99 C ATOM 51647 O4* A B2455 -820.246-101.078 53.073 1.00852.99 O ATOM 51648 C3* A B2455 -820.687-102.813 54.561 1.00852.99 C ATOM 51649 O3* A B2455 -820.071-103.714 55.471 1.00852.99 O ATOM 51650 C2* A B2455 -821.174-101.528 55.216 1.00852.99 C ATOM 51651 O2* A B2455 -820.298-101.060 56.221 1.00852.99 O ATOM 51652 C1* A B2455 -821.163-100.566 54.025 1.00852.99 C ATOM 51653 N9 A B2455 -822.476-100.530 53.389 1.00852.99 N ATOM 51654 C8 A B2455 -822.937-101.354 52.393 1.00852.99 C ATOM 51655 N7 A B2455 -824.172-101.116 52.038 1.00852.99 N ATOM 51656 C5 A B2455 -824.550-100.057 52.850 1.00852.99 C ATOM 51657 C6 A B2455 -825.749 -99.344 52.968 1.00852.99 C ATOM 51658 N6 A B2455 -826.833 -99.609 52.243 1.00852.99 N ATOM 51659 N1 A B2455 -825.797 -98.341 53.865 1.00852.99 N ATOM 51660 C2 A B2455 -824.705 -98.084 54.599 1.00852.99 C ATOM 51661 N3 A B2455 -823.524 -98.690 54.586 1.00852.99 N ATOM 51662 C4 A B2455 -823.512 -99.678 53.681 1.00852.99 C ATOM 51663 P U B2456 -820.971-104.806 56.233 1.00852.99 P ATOM 51664 O1P U B2456 -820.067-105.655 57.048 1.00852.99 O ATOM 51665 O2P U B2456 -821.869-105.438 55.232 1.00852.99 O ATOM 51666 O5* U B2456 -821.868-103.932 57.216 1.00852.99 O ATOM 51667 C5* U B2456 -821.275-103.155 58.252 1.00852.99 C ATOM 51668 C4* U B2456 -822.321-102.274 58.891 1.00852.99 C ATOM 51669 O4* U B2456 -822.857-101.378 57.889 1.00852.99 O ATOM 51670 C3* U B2456 -823.547-102.963 59.465 1.00852.99 C ATOM 51671 O3* U B2456 -823.309-103.438 60.781 1.00852.99 O ATOM 51672 C2* U B2456 -824.596-101.859 59.442 1.00852.99 C ATOM 51673 O2* U B2456 -824.495-100.998 60.560 1.00852.99 O ATOM 51674 C1* U B2456 -824.214-101.089 58.175 1.00852.99 C ATOM 51675 N1 U B2456 -825.002-101.455 56.987 1.00852.99 N ATOM 51676 C2 U B2456 -826.129-100.709 56.690 1.00852.99 C ATOM 51677 O2 U B2456 -826.502 -99.768 57.367 1.00852.99 O ATOM 51678 N3 U B2456 -826.805-101.112 55.563 1.00852.99 N ATOM 51679 C4 U B2456 -826.478-102.159 54.726 1.00852.99 C ATOM 51680 O4 U B2456 -827.179-102.391 53.743 1.00852.99 O ATOM 51681 C5 U B2456 -825.302-102.879 55.102 1.00852.99 C ATOM 51682 C6 U B2456 -824.622-102.512 56.195 1.00852.99 C ATOM 51683 P A B2457 -824.082-104.738 61.314 1.00852.99 P ATOM 51684 O1P A B2457 -823.471-105.924 60.664 1.00852.99 O ATOM 51685 O2P A B2457 -825.542-104.506 61.198 1.00852.99 O ATOM 51686 O5* A B2457 -823.693-104.770 62.859 1.00852.99 O ATOM 51687 C5* A B2457 -824.114-105.827 63.705 1.00852.99 C ATOM 51688 C4* A B2457 -823.187-105.935 64.892 1.00852.99 C ATOM 51689 O4* A B2457 -821.893-106.434 64.472 1.00852.99 O ATOM 51690 C3* A B2457 -822.916-104.608 65.584 1.00852.99 C ATOM 51691 O3* A B2457 -823.911-104.332 66.563 1.00852.99 O ATOM 51692 C2* A B2457 -821.541-104.827 66.209 1.00852.99 C ATOM 51693 O2* A B2457 -821.608-105.456 67.475 1.00852.99 O ATOM 51694 C1* A B2457 -820.877-105.774 65.206 1.00852.99 C ATOM 51695 N9 A B2457 -819.951-105.127 64.274 1.00852.99 N ATOM 51696 C8 A B2457 -819.881-105.227 62.905 1.00852.99 C ATOM 51697 N7 A B2457 -818.923-104.506 62.372 1.00852.99 N ATOM 51698 C5 A B2457 -818.320-103.892 63.462 1.00852.99 C ATOM 51699 C6 A B2457 -817.239-102.995 63.572 1.00852.99 C ATOM 51700 N6 A B2457 -816.543-102.539 62.532 1.00852.99 N ATOM 51701 N1 A B2457 -816.895-102.580 64.812 1.00852.99 N ATOM 51702 C2 A B2457 -817.593-103.031 65.858 1.00852.99 C ATOM 51703 N3 A B2457 -818.627-103.870 65.883 1.00852.99 N ATOM 51704 C4 A B2457 -818.943-104.267 64.637 1.00852.99 C ATOM 51705 P U B2458 -825.098-103.304 66.220 1.00852.99 P ATOM 51706 O1P U B2458 -826.320-103.801 66.901 1.00852.99 O ATOM 51707 O2P U B2458 -825.118-103.083 64.751 1.00852.99 O ATOM 51708 O5* U B2458 -824.646-101.948 66.924 1.00852.99 O ATOM 51709 C5* U B2458 -824.816-100.694 66.273 1.00852.99 C ATOM 51710 C4* U B2458 -823.607 -99.818 66.502 1.00852.99 C ATOM 51711 O4* U B2458 -822.407-100.587 66.246 1.00852.99 O ATOM 51712 C3* U B2458 -823.493 -98.615 65.588 1.00852.99 C ATOM 51713 O3* U B2458 -824.236 -97.512 66.092 1.00852.99 O ATOM 51714 C2* U B2458 -821.993 -98.339 65.569 1.00852.99 C ATOM 51715 O2* U B2458 -821.571 -97.571 66.680 1.00852.99 O ATOM 51716 C1* U B2458 -821.414 -99.754 65.673 1.00852.99 C ATOM 51717 N1 U B2458 -821.040-100.330 64.375 1.00852.99 N ATOM 51718 C2 U B2458 -819.696-100.395 64.053 1.00852.99 C ATOM 51719 O2 U B2458 -818.817 -99.990 64.795 1.00852.99 O ATOM 51720 N3 U B2458 -819.420-100.955 62.831 1.00852.99 N ATOM 51721 C4 U B2458 -820.334-101.446 61.919 1.00852.99 C ATOM 51722 O4 U B2458 -819.932-101.928 60.859 1.00852.99 O ATOM 51723 C5 U B2458 -821.703-101.334 62.321 1.00852.99 C ATOM 51724 C6 U B2458 -822.001-100.794 63.507 1.00852.99 C ATOM 51725 P C B2459 -825.272 -96.748 65.128 1.00852.99 P ATOM 51726 O1P C B2459 -826.258 -96.065 66.009 1.00852.99 O ATOM 51727 O2P C B2459 -825.747 -97.699 64.094 1.00852.99 O ATOM 51728 O5* C B2459 -824.387 -95.624 64.426 1.00852.99 O ATOM 51729 C5* C B2459 -823.729 -94.640 65.208 1.00852.99 C ATOM 51730 C4* C B2459 -822.587 -94.006 64.440 1.00852.99 C ATOM 51731 O4* C B2459 -821.820 -95.020 63.736 1.00852.99 O ATOM 51732 C3* C B2459 -822.938 -93.022 63.347 1.00852.99 C ATOM 51733 O3* C B2459 -823.245 -91.745 63.900 1.00852.99 O ATOM 51734 C2* C B2459 -821.658 -92.978 62.516 1.00852.99 C ATOM 51735 O2* C B2459 -820.699 -92.085 63.038 1.00852.99 O ATOM 51736 C1* C B2459 -821.145 -94.414 62.643 1.00852.99 C ATOM 51737 N1 C B2459 -821.409 -95.174 61.413 1.00852.99 N ATOM 51738 C2 C B2459 -820.458 -95.127 60.389 1.00852.99 C ATOM 51739 O2 C B2459 -819.403 -94.506 60.582 1.00852.99 O ATOM 51740 N3 C B2459 -820.711 -95.751 59.218 1.00852.99 N ATOM 51741 C4 C B2459 -821.852 -96.422 59.054 1.00852.99 C ATOM 51742 N4 C B2459 -822.069 -97.004 57.871 1.00852.99 N ATOM 51743 C5 C B2459 -822.825 -96.521 60.094 1.00852.99 C ATOM 51744 C6 C B2459 -822.563 -95.889 61.248 1.00852.99 C ATOM 51745 P G B2460 -824.157 -90.715 63.062 1.00852.99 P ATOM 51746 O1P G B2460 -824.043 -89.381 63.704 1.00852.99 O ATOM 51747 O2P G B2460 -825.493 -91.329 62.869 1.00852.99 O ATOM 51748 O5* G B2460 -823.447 -90.624 61.638 1.00852.99 O ATOM 51749 C5* G B2460 -822.297 -89.811 61.447 1.00852.99 C ATOM 51750 C4* G B2460 -821.717 -90.067 60.085 1.00852.99 C ATOM 51751 O4* G B2460 -821.591 -91.498 59.910 1.00852.99 O ATOM 51752 C3* G B2460 -822.500 -89.587 58.868 1.00852.99 C ATOM 51753 O3* G B2460 -822.142 -88.247 58.571 1.00852.99 O ATOM 51754 C2* G B2460 -822.027 -90.530 57.775 1.00852.99 C ATOM 51755 O2* G B2460 -820.832 -90.126 57.163 1.00852.99 O ATOM 51756 C1* G B2460 -821.787 -91.814 58.559 1.00852.99 C ATOM 51757 N9 G B2460 -822.923 -92.705 58.427 1.00852.99 N ATOM 51758 C8 G B2460 -824.011 -92.902 59.240 1.00852.99 C ATOM 51759 N7 G B2460 -824.832 -93.806 58.777 1.00852.99 N ATOM 51760 C5 G B2460 -824.236 -94.220 57.597 1.00852.99 C ATOM 51761 C6 G B2460 -824.635 -95.181 56.644 1.00852.99 C ATOM 51762 O6 G B2460 -825.649 -95.905 56.659 1.00852.99 O ATOM 51763 N1 G B2460 -823.719 -95.262 55.587 1.00852.99 N ATOM 51764 C2 G B2460 -822.560 -94.490 55.469 1.00852.99 C ATOM 51765 N2 G B2460 -821.774 -94.628 54.385 1.00852.99 N ATOM 51766 N3 G B2460 -822.187 -93.609 56.355 1.00852.99 N ATOM 51767 C4 G B2460 -823.061 -93.533 57.377 1.00852.99 C ATOM 51768 P G B2461 -822.916 -87.446 57.419 1.00852.99 P ATOM 51769 O1P G B2461 -823.621 -86.307 58.059 1.00852.99 O ATOM 51770 O2P G B2461 -823.682 -88.406 56.580 1.00852.99 O ATOM 51771 O5* G B2461 -821.718 -86.875 56.551 1.00852.99 O ATOM 51772 C5* G B2461 -820.488 -86.529 57.178 1.00852.99 C ATOM 51773 C4* G B2461 -819.618 -85.759 56.225 1.00852.99 C ATOM 51774 O4* G B2461 -819.181 -86.619 55.143 1.00852.99 O ATOM 51775 C3* G B2461 -820.267 -84.565 55.542 1.00852.99 C ATOM 51776 O3* G B2461 -820.271 -83.420 56.386 1.00852.99 O ATOM 51777 C2* G B2461 -819.434 -84.411 54.270 1.00852.99 C ATOM 51778 O2* G B2461 -818.241 -83.693 54.406 1.00852.99 O ATOM 51779 C1* G B2461 -819.064 -85.858 53.954 1.00852.99 C ATOM 51780 N9 G B2461 -819.949 -86.403 52.940 1.00852.99 N ATOM 51781 C8 G B2461 -820.679 -87.565 52.993 1.00852.99 C ATOM 51782 N7 G B2461 -821.413 -87.755 51.931 1.00852.99 N ATOM 51783 C5 G B2461 -821.146 -86.653 51.128 1.00852.99 C ATOM 51784 C6 G B2461 -821.649 -86.301 49.850 1.00852.99 C ATOM 51785 O6 G B2461 -822.468 -86.911 49.152 1.00852.99 O ATOM 51786 N1 G B2461 -821.108 -85.104 49.398 1.00852.99 N ATOM 51787 C2 G B2461 -820.197 -84.338 50.085 1.00852.99 C ATOM 51788 N2 G B2461 -819.792 -83.215 49.480 1.00852.99 N ATOM 51789 N3 G B2461 -819.725 -84.652 51.277 1.00852.99 N ATOM 51790 C4 G B2461 -820.237 -85.816 51.734 1.00852.99 C ATOM 51791 P C B2462 -821.508 -82.397 56.322 1.00852.99 P ATOM 51792 O1P C B2462 -820.954 -81.022 56.420 1.00852.99 O ATOM 51793 O2P C B2462 -822.541 -82.843 57.292 1.00852.99 O ATOM 51794 O5* C B2462 -822.074 -82.602 54.850 1.00852.99 O ATOM 51795 C5* C B2462 -821.787 -81.648 53.842 1.00852.99 C ATOM 51796 C4* C B2462 -822.702 -81.816 52.662 1.00852.99 C ATOM 51797 O4* C B2462 -822.465 -83.090 52.011 1.00852.99 O ATOM 51798 C3* C B2462 -824.176 -81.822 53.002 1.00852.99 C ATOM 51799 O3* C B2462 -824.678 -80.507 53.149 1.00852.99 O ATOM 51800 C2* C B2462 -824.784 -82.579 51.831 1.00852.99 C ATOM 51801 O2* C B2462 -824.972 -81.761 50.692 1.00852.99 O ATOM 51802 C1* C B2462 -823.694 -83.612 51.538 1.00852.99 C ATOM 51803 N1 C B2462 -823.951 -84.883 52.234 1.00852.99 N ATOM 51804 C2 C B2462 -824.791 -85.822 51.629 1.00852.99 C ATOM 51805 O2 C B2462 -825.268 -85.565 50.513 1.00852.99 O ATOM 51806 N3 C B2462 -825.059 -86.980 52.269 1.00852.99 N ATOM 51807 C4 C B2462 -824.523 -87.222 53.467 1.00852.99 C ATOM 51808 N4 C B2462 -824.823 -88.375 54.067 1.00852.99 N ATOM 51809 C5 C B2462 -823.651 -86.287 54.101 1.00852.99 C ATOM 51810 C6 C B2462 -823.394 -85.144 53.456 1.00852.99 C ATOM 51811 P G B2463 -825.745 -80.205 54.310 1.00852.99 P ATOM 51812 O1P G B2463 -825.940 -78.742 54.322 1.00852.99 O ATOM 51813 O2P G B2463 -825.315 -80.898 55.549 1.00852.99 O ATOM 51814 O5* G B2463 -827.067 -80.910 53.777 1.00852.99 O ATOM 51815 C5* G B2463 -827.559 -80.620 52.479 1.00852.99 C ATOM 51816 C4* G B2463 -828.434 -81.732 51.966 1.00852.99 C ATOM 51817 O4* G B2463 -827.751 -83.011 52.005 1.00852.99 O ATOM 51818 C3* G B2463 -829.734 -81.971 52.700 1.00852.99 C ATOM 51819 O3* G B2463 -830.741 -81.048 52.300 1.00852.99 O ATOM 51820 C2* G B2463 -830.091 -83.388 52.262 1.00852.99 C ATOM 51821 O2* G B2463 -830.732 -83.454 51.007 1.00852.99 O ATOM 51822 C1* G B2463 -828.718 -84.040 52.127 1.00852.99 C ATOM 51823 N9 G B2463 -828.436 -84.861 53.293 1.00852.99 N ATOM 51824 C8 G B2463 -828.383 -84.483 54.611 1.00852.99 C ATOM 51825 N7 G B2463 -828.149 -85.483 55.417 1.00852.99 N ATOM 51826 C5 G B2463 -828.028 -86.580 54.576 1.00852.99 C ATOM 51827 C6 G B2463 -827.782 -87.949 54.867 1.00852.99 C ATOM 51828 O6 G B2463 -827.616 -88.483 55.970 1.00852.99 O ATOM 51829 N1 G B2463 -827.737 -88.719 53.711 1.00852.99 N ATOM 51830 C2 G B2463 -827.911 -88.242 52.436 1.00852.99 C ATOM 51831 N2 G B2463 -827.832 -89.145 51.446 1.00852.99 N ATOM 51832 N3 G B2463 -828.148 -86.974 52.152 1.00852.99 N ATOM 51833 C4 G B2463 -828.191 -86.208 53.262 1.00852.99 C ATOM 51834 P G B2464 -832.081 -80.915 53.175 1.00852.99 P ATOM 51835 O1P G B2464 -832.807 -79.706 52.701 1.00852.99 O ATOM 51836 O2P G B2464 -831.715 -81.036 54.607 1.00852.99 O ATOM 51837 O5* G B2464 -832.935 -82.197 52.763 1.00852.99 O ATOM 51838 C5* G B2464 -833.480 -82.304 51.453 1.00852.99 C ATOM 51839 C4* G B2464 -834.119 -83.657 51.242 1.00852.99 C ATOM 51840 O4* G B2464 -833.125 -84.717 51.289 1.00852.99 O ATOM 51841 C3* G B2464 -835.150 -84.050 52.272 1.00852.99 C ATOM 51842 O3* G B2464 -836.415 -83.481 51.961 1.00852.99 O ATOM 51843 C2* G B2464 -835.170 -85.569 52.162 1.00852.99 C ATOM 51844 O2* G B2464 -835.989 -86.028 51.106 1.00852.99 O ATOM 51845 C1* G B2464 -833.707 -85.885 51.847 1.00852.99 C ATOM 51846 N9 G B2464 -832.976 -86.271 53.049 1.00852.99 N ATOM 51847 C8 G B2464 -832.075 -85.523 53.766 1.00852.99 C ATOM 51848 N7 G B2464 -831.612 -86.151 54.817 1.00852.99 N ATOM 51849 C5 G B2464 -832.244 -87.389 54.785 1.00852.99 C ATOM 51850 C6 G B2464 -832.148 -88.500 55.669 1.00852.99 C ATOM 51851 O6 G B2464 -831.464 -88.615 56.695 1.00852.99 O ATOM 51852 N1 G B2464 -832.958 -89.552 55.255 1.00852.99 N ATOM 51853 C2 G B2464 -833.759 -89.540 54.143 1.00852.99 C ATOM 51854 N2 G B2464 -834.470 -90.654 53.912 1.00852.99 N ATOM 51855 N3 G B2464 -833.861 -88.513 53.314 1.00852.99 N ATOM 51856 C4 G B2464 -833.081 -87.478 53.694 1.00852.99 C ATOM 51857 P G B2465 -837.610 -83.596 53.026 1.00852.99 P ATOM 51858 O1P G B2465 -838.718 -82.723 52.561 1.00852.99 O ATOM 51859 O2P G B2465 -837.044 -83.406 54.385 1.00852.99 O ATOM 51860 O5* G B2465 -838.083 -85.111 52.894 1.00852.99 O ATOM 51861 C5* G B2465 -839.276 -85.444 52.193 1.00852.99 C ATOM 51862 C4* G B2465 -840.247 -86.127 53.119 1.00852.99 C ATOM 51863 O4* G B2465 -839.600 -87.245 53.777 1.00852.99 O ATOM 51864 C3* G B2465 -840.755 -85.230 54.242 1.00852.99 C ATOM 51865 O3* G B2465 -841.896 -84.481 53.841 1.00852.99 O ATOM 51866 C2* G B2465 -841.077 -86.227 55.349 1.00852.99 C ATOM 51867 O2* G B2465 -842.350 -86.811 55.175 1.00852.99 O ATOM 51868 C1* G B2465 -839.996 -87.292 55.137 1.00852.99 C ATOM 51869 N9 G B2465 -838.811 -87.097 55.962 1.00852.99 N ATOM 51870 C8 G B2465 -837.722 -86.309 55.676 1.00852.99 C ATOM 51871 N7 G B2465 -836.804 -86.342 56.602 1.00852.99 N ATOM 51872 C5 G B2465 -837.314 -87.208 57.560 1.00852.99 C ATOM 51873 C6 G B2465 -836.760 -87.648 58.792 1.00852.99 C ATOM 51874 O6 G B2465 -835.672 -87.349 59.304 1.00852.99 O ATOM 51875 N1 G B2465 -837.617 -88.525 59.452 1.00852.99 N ATOM 51876 C2 G B2465 -838.841 -88.930 58.988 1.00852.99 C ATOM 51877 N2 G B2465 -839.520 -89.779 59.775 1.00852.99 N ATOM 51878 N3 G B2465 -839.367 -88.534 57.840 1.00852.99 N ATOM 51879 C4 G B2465 -838.555 -87.681 57.182 1.00852.99 C ATOM 51880 P G B2466 -842.535 -83.398 54.843 1.00852.99 P ATOM 51881 O1P G B2466 -843.575 -82.655 54.091 1.00852.99 O ATOM 51882 O2P G B2466 -841.423 -82.651 55.490 1.00852.99 O ATOM 51883 O5* G B2466 -843.256 -84.284 55.952 1.00852.99 O ATOM 51884 C5* G B2466 -843.363 -83.836 57.300 1.00852.99 C ATOM 51885 C4* G B2466 -843.444 -85.017 58.236 1.00852.99 C ATOM 51886 O4* G B2466 -842.177 -85.723 58.246 1.00852.99 O ATOM 51887 C3* G B2466 -843.722 -84.723 59.703 1.00852.99 C ATOM 51888 O3* G B2466 -845.116 -84.549 59.937 1.00852.99 O ATOM 51889 C2* G B2466 -843.158 -85.951 60.405 1.00852.99 C ATOM 51890 O2* G B2466 -844.068 -87.032 60.426 1.00852.99 O ATOM 51891 C1* G B2466 -841.962 -86.305 59.516 1.00852.99 C ATOM 51892 N9 G B2466 -840.679 -85.818 60.024 1.00852.99 N ATOM 51893 C8 G B2466 -839.935 -84.788 59.500 1.00852.99 C ATOM 51894 N7 G B2466 -838.822 -84.584 60.151 1.00852.99 N ATOM 51895 C5 G B2466 -838.833 -85.528 61.165 1.00852.99 C ATOM 51896 C6 G B2466 -837.882 -85.789 62.183 1.00852.99 C ATOM 51897 O6 G B2466 -836.804 -85.220 62.391 1.00852.99 O ATOM 51898 N1 G B2466 -838.287 -86.835 63.005 1.00852.99 N ATOM 51899 C2 G B2466 -839.456 -87.542 62.864 1.00852.99 C ATOM 51900 N2 G B2466 -839.663 -88.511 63.766 1.00852.99 N ATOM 51901 N3 G B2466 -840.353 -87.310 61.915 1.00852.99 N ATOM 51902 C4 G B2466 -839.976 -86.297 61.108 1.00852.99 C ATOM 51903 P A B2467 -845.624 -84.019 61.370 1.00852.99 P ATOM 51904 O1P A B2467 -847.068 -83.708 61.239 1.00852.99 O ATOM 51905 O2P A B2467 -844.685 -82.972 61.839 1.00852.99 O ATOM 51906 O5* A B2467 -845.477 -85.286 62.327 1.00852.99 O ATOM 51907 C5* A B2467 -846.460 -86.319 62.343 1.00852.99 C ATOM 51908 C4* A B2467 -846.361 -87.105 63.628 1.00852.99 C ATOM 51909 O4* A B2467 -845.088 -87.797 63.656 1.00852.99 O ATOM 51910 C3* A B2467 -846.351 -86.247 64.867 1.00852.99 C ATOM 51911 O3* A B2467 -847.687 -85.971 65.275 1.00852.99 O ATOM 51912 C2* A B2467 -845.587 -87.095 65.874 1.00852.99 C ATOM 51913 O2* A B2467 -846.397 -88.075 66.486 1.00852.99 O ATOM 51914 C1* A B2467 -844.550 -87.766 64.968 1.00852.99 C ATOM 51915 N9 A B2467 -843.309 -86.998 64.899 1.00852.99 N ATOM 51916 C8 A B2467 -842.909 -86.200 63.857 1.00852.99 C ATOM 51917 N7 A B2467 -841.761 -85.609 64.056 1.00852.99 N ATOM 51918 C5 A B2467 -841.373 -86.045 65.312 1.00852.99 C ATOM 51919 C6 A B2467 -840.244 -85.769 66.093 1.00852.99 C ATOM 51920 N6 A B2467 -839.258 -84.960 65.699 1.00852.99 N ATOM 51921 N1 A B2467 -840.158 -86.360 67.306 1.00852.99 N ATOM 51922 C2 A B2467 -841.151 -87.170 67.693 1.00852.99 C ATOM 51923 N3 A B2467 -842.265 -87.508 67.045 1.00852.99 N ATOM 51924 C4 A B2467 -842.319 -86.902 65.846 1.00852.99 C ATOM 51925 P G B2468 -848.059 -84.511 65.831 1.00852.99 P ATOM 51926 O1P G B2468 -849.528 -84.487 66.072 1.00852.99 O ATOM 51927 O2P G B2468 -847.451 -83.501 64.932 1.00852.99 O ATOM 51928 O5* G B2468 -847.324 -84.433 67.245 1.00852.99 O ATOM 51929 C5* G B2468 -847.507 -85.452 68.222 1.00852.99 C ATOM 51930 C4* G B2468 -846.356 -85.455 69.205 1.00852.99 C ATOM 51931 O4* G B2468 -845.114 -85.744 68.517 1.00852.99 O ATOM 51932 C3* G B2468 -846.091 -84.152 69.949 1.00852.99 C ATOM 51933 O3* G B2468 -846.926 -84.020 71.095 1.00852.99 O ATOM 51934 C2* G B2468 -844.624 -84.285 70.344 1.00852.99 C ATOM 51935 O2* G B2468 -844.446 -85.018 71.536 1.00852.99 O ATOM 51936 C1* G B2468 -844.046 -85.079 69.170 1.00852.99 C ATOM 51937 N9 G B2468 -843.347 -84.250 68.193 1.00852.99 N ATOM 51938 C8 G B2468 -843.807 -83.845 66.965 1.00852.99 C ATOM 51939 N7 G B2468 -842.941 -83.121 66.307 1.00852.99 N ATOM 51940 C5 G B2468 -841.844 -83.039 67.153 1.00852.99 C ATOM 51941 C6 G B2468 -840.597 -82.384 66.983 1.00852.99 C ATOM 51942 O6 G B2468 -840.193 -81.735 66.014 1.00852.99 O ATOM 51943 N1 G B2468 -839.777 -82.551 68.093 1.00852.99 N ATOM 51944 C2 G B2468 -840.112 -83.252 69.224 1.00852.99 C ATOM 51945 N2 G B2468 -839.182 -83.286 70.191 1.00852.99 N ATOM 51946 N3 G B2468 -841.271 -83.871 69.395 1.00852.99 N ATOM 51947 C4 G B2468 -842.082 -83.723 68.328 1.00852.99 C ATOM 51948 P G B2469 -847.524 -82.578 71.486 1.00852.99 P ATOM 51949 O1P G B2469 -848.029 -82.670 72.878 1.00852.99 O ATOM 51950 O2P G B2469 -848.444 -82.152 70.399 1.00852.99 O ATOM 51951 O5* G B2469 -846.263 -81.604 71.478 1.00852.99 O ATOM 51952 C5* G B2469 -845.311 -81.605 72.544 1.00852.99 C ATOM 51953 C4* G B2469 -844.292 -80.509 72.330 1.00852.99 C ATOM 51954 O4* G B2469 -843.517 -80.850 71.158 1.00852.99 O ATOM 51955 C3* G B2469 -844.861 -79.115 72.035 1.00852.99 C ATOM 51956 O3* G B2469 -844.965 -78.331 73.227 1.00852.99 O ATOM 51957 C2* G B2469 -843.767 -78.470 71.187 1.00852.99 C ATOM 51958 O2* G B2469 -842.801 -77.806 71.975 1.00852.99 O ATOM 51959 C1* G B2469 -843.113 -79.669 70.501 1.00852.99 C ATOM 51960 N9 G B2469 -843.348 -79.823 69.069 1.00852.99 N ATOM 51961 C8 G B2469 -844.454 -80.359 68.455 1.00852.99 C ATOM 51962 N7 G B2469 -844.347 -80.396 67.153 1.00852.99 N ATOM 51963 C5 G B2469 -843.098 -79.845 66.896 1.00852.99 C ATOM 51964 C6 G B2469 -842.426 -79.624 65.665 1.00852.99 C ATOM 51965 O6 G B2469 -842.808 -79.892 64.517 1.00852.99 O ATOM 51966 N1 G B2469 -841.183 -79.034 65.862 1.00852.99 N ATOM 51967 C2 G B2469 -840.650 -78.696 67.082 1.00852.99 C ATOM 51968 N2 G B2469 -839.433 -78.133 67.062 1.00852.99 N ATOM 51969 N3 G B2469 -841.266 -78.898 68.235 1.00852.99 N ATOM 51970 C4 G B2469 -842.477 -79.472 68.067 1.00852.99 C ATOM 51971 P U B2470 -846.397 -77.882 73.807 1.00852.99 P ATOM 51972 O1P U B2470 -847.294 -79.059 73.886 1.00852.99 O ATOM 51973 O2P U B2470 -846.835 -76.682 73.048 1.00852.99 O ATOM 51974 O5* U B2470 -846.044 -77.421 75.293 1.00852.99 O ATOM 51975 C5* U B2470 -845.278 -76.242 75.550 1.00852.99 C ATOM 51976 C4* U B2470 -844.225 -76.519 76.604 1.00852.99 C ATOM 51977 O4* U B2470 -844.651 -77.661 77.389 1.00852.99 O ATOM 51978 C3* U B2470 -842.842 -76.876 76.052 1.00852.99 C ATOM 51979 O3* U B2470 -842.023 -75.711 75.945 1.00852.99 O ATOM 51980 C2* U B2470 -842.283 -77.834 77.102 1.00852.99 C ATOM 51981 O2* U B2470 -841.650 -77.164 78.173 1.00852.99 O ATOM 51982 C1* U B2470 -843.550 -78.522 77.620 1.00852.99 C ATOM 51983 N1 U B2470 -843.841 -79.823 77.000 1.00852.99 N ATOM 51984 C2 U B2470 -842.841 -80.778 76.993 1.00852.99 C ATOM 51985 O2 U B2470 -841.734 -80.580 77.459 1.00852.99 O ATOM 51986 N3 U B2470 -843.188 -81.975 76.416 1.00852.99 N ATOM 51987 C4 U B2470 -844.408 -82.307 75.859 1.00852.99 C ATOM 51988 O4 U B2470 -844.570 -83.434 75.389 1.00852.99 O ATOM 51989 C5 U B2470 -845.385 -81.265 75.902 1.00852.99 C ATOM 51990 C6 U B2470 -845.076 -80.089 76.454 1.00852.99 C ATOM 51991 P U B2471 -840.923 -75.602 74.780 1.00852.99 P ATOM 51992 O1P U B2471 -840.584 -74.163 74.634 1.00852.99 O ATOM 51993 O2P U B2471 -841.417 -76.359 73.602 1.00852.99 O ATOM 51994 O5* U B2471 -839.647 -76.359 75.359 1.00852.99 O ATOM 51995 C5* U B2471 -838.889 -75.826 76.449 1.00852.99 C ATOM 51996 C4* U B2471 -837.455 -75.609 76.015 1.00852.99 C ATOM 51997 O4* U B2471 -837.022 -76.760 75.250 1.00852.99 O ATOM 51998 C3* U B2471 -837.243 -74.405 75.112 1.00852.99 C ATOM 51999 O3* U B2471 -836.920 -73.236 75.857 1.00852.99 O ATOM 52000 C2* U B2471 -836.067 -74.827 74.232 1.00852.99 C ATOM 52001 O2* U B2471 -834.820 -74.577 74.855 1.00852.99 O ATOM 52002 C1* U B2471 -836.265 -76.341 74.128 1.00852.99 C ATOM 52003 N1 U B2471 -836.946 -76.854 72.925 1.00852.99 N ATOM 52004 C2 U B2471 -836.531 -76.458 71.641 1.00852.99 C ATOM 52005 O2 U B2471 -835.632 -75.653 71.423 1.00852.99 O ATOM 52006 N3 U B2471 -837.227 -77.041 70.608 1.00852.99 N ATOM 52007 C4 U B2471 -838.262 -77.953 70.715 1.00852.99 C ATOM 52008 O4 U B2471 -838.758 -78.430 69.694 1.00852.99 O ATOM 52009 C5 U B2471 -838.634 -78.292 72.056 1.00852.99 C ATOM 52010 C6 U B2471 -837.984 -77.745 73.083 1.00852.99 C ATOM 52011 P U B2472 -838.305 -72.083 77.044 1.00855.43 P ATOM 52012 O1P U B2472 -838.028 -72.722 78.359 1.00855.43 O ATOM 52013 O2P U B2472 -839.669 -72.155 76.467 1.00855.43 O ATOM 52014 O5* U B2472 -837.868 -70.556 77.148 1.00855.43 O ATOM 52015 C5* U B2472 -836.513 -70.209 77.403 1.00855.43 C ATOM 52016 C4* U B2472 -835.936 -69.456 76.233 1.00855.43 C ATOM 52017 O4* U B2472 -835.567 -70.376 75.182 1.00855.43 O ATOM 52018 C3* U B2472 -836.951 -68.478 75.617 1.00855.43 C ATOM 52019 O3* U B2472 -837.017 -67.183 76.203 1.00855.43 O ATOM 52020 C2* U B2472 -836.506 -68.427 74.155 1.00855.43 C ATOM 52021 O2* U B2472 -835.471 -67.489 73.929 1.00855.43 O ATOM 52022 C1* U B2472 -835.953 -69.839 73.931 1.00855.43 C ATOM 52023 N1 U B2472 -836.837 -70.794 73.249 1.00855.43 N ATOM 52024 C2 U B2472 -836.277 -71.611 72.286 1.00855.43 C ATOM 52025 O2 U B2472 -835.103 -71.544 71.966 1.00855.43 O ATOM 52026 N3 U B2472 -837.140 -72.511 71.711 1.00855.43 N ATOM 52027 C4 U B2472 -838.483 -72.673 71.990 1.00855.43 C ATOM 52028 O4 U B2472 -839.117 -73.558 71.418 1.00855.43 O ATOM 52029 C5 U B2472 -838.994 -71.776 72.983 1.00855.43 C ATOM 52030 C6 U B2472 -838.177 -70.888 73.561 1.00855.43 C ATOM 52031 P G B2473 -838.399 -66.369 76.173 1.00855.43 P ATOM 52032 O1P G B2473 -838.071 -64.950 75.878 1.00855.43 O ATOM 52033 O2P G B2473 -839.174 -66.699 77.396 1.00855.43 O ATOM 52034 O5* G B2473 -839.150 -66.977 74.916 1.00855.43 O ATOM 52035 C5* G B2473 -840.248 -66.304 74.321 1.00855.43 C ATOM 52036 C4* G B2473 -840.113 -66.343 72.819 1.00855.43 C ATOM 52037 O4* G B2473 -839.843 -67.696 72.368 1.00855.43 O ATOM 52038 C3* G B2473 -841.307 -65.886 71.994 1.00855.43 C ATOM 52039 O3* G B2473 -841.389 -64.469 71.904 1.00855.43 O ATOM 52040 C2* G B2473 -841.055 -66.564 70.650 1.00855.43 C ATOM 52041 O2* G B2473 -840.161 -65.841 69.831 1.00855.43 O ATOM 52042 C1* G B2473 -840.387 -67.878 71.070 1.00855.43 C ATOM 52043 N9 G B2473 -841.267 -69.045 71.083 1.00855.43 N ATOM 52044 C8 G B2473 -841.749 -69.703 72.188 1.00855.43 C ATOM 52045 N7 G B2473 -842.499 -70.732 71.886 1.00855.43 N ATOM 52046 C5 G B2473 -842.517 -70.750 70.500 1.00855.43 C ATOM 52047 C6 G B2473 -843.166 -71.644 69.593 1.00855.43 C ATOM 52048 O6 G B2473 -843.873 -72.628 69.839 1.00855.43 O ATOM 52049 N1 G B2473 -842.919 -71.295 68.269 1.00855.43 N ATOM 52050 C2 G B2473 -842.151 -70.233 67.864 1.00855.43 C ATOM 52051 N2 G B2473 -842.035 -70.067 66.540 1.00855.43 N ATOM 52052 N3 G B2473 -841.543 -69.397 68.693 1.00855.43 N ATOM 52053 C4 G B2473 -841.768 -69.712 69.985 1.00855.43 C ATOM 52054 P G B2474 -842.720 -63.783 71.331 1.00855.43 P ATOM 52055 O1P G B2474 -842.554 -62.312 71.486 1.00855.43 O ATOM 52056 O2P G B2474 -843.910 -64.454 71.898 1.00855.43 O ATOM 52057 O5* G B2474 -842.645 -64.123 69.784 1.00855.43 O ATOM 52058 C5* G B2474 -841.942 -63.264 68.910 1.00855.43 C ATOM 52059 C4* G B2474 -842.407 -63.461 67.499 1.00855.43 C ATOM 52060 O4* G B2474 -842.097 -64.784 67.037 1.00855.43 O ATOM 52061 C3* G B2474 -843.892 -63.279 67.322 1.00855.43 C ATOM 52062 O3* G B2474 -844.214 -61.900 67.124 1.00855.43 O ATOM 52063 C2* G B2474 -844.159 -64.106 66.072 1.00855.43 C ATOM 52064 O2* G B2474 -843.895 -63.424 64.864 1.00855.43 O ATOM 52065 C1* G B2474 -843.157 -65.250 66.248 1.00855.43 C ATOM 52066 N9 G B2474 -843.752 -66.338 66.999 1.00855.43 N ATOM 52067 C8 G B2474 -843.294 -66.858 68.186 1.00855.43 C ATOM 52068 N7 G B2474 -844.029 -67.833 68.631 1.00855.43 N ATOM 52069 C5 G B2474 -845.028 -67.958 67.677 1.00855.43 C ATOM 52070 C6 G B2474 -846.113 -68.844 67.614 1.00855.43 C ATOM 52071 O6 G B2474 -846.425 -69.724 68.417 1.00855.43 O ATOM 52072 N1 G B2474 -846.876 -68.629 66.470 1.00855.43 N ATOM 52073 C2 G B2474 -846.627 -67.681 65.515 1.00855.43 C ATOM 52074 N2 G B2474 -847.481 -67.624 64.483 1.00855.43 N ATOM 52075 N3 G B2474 -845.612 -66.843 65.566 1.00855.43 N ATOM 52076 C4 G B2474 -844.861 -67.040 66.668 1.00855.43 C ATOM 52077 P C B2475 -845.612 -61.308 67.656 1.00855.43 P ATOM 52078 O1P C B2475 -845.768 -59.955 67.055 1.00855.43 O ATOM 52079 O2P C B2475 -845.669 -61.465 69.131 1.00855.43 O ATOM 52080 O5* C B2475 -846.690 -62.267 66.992 1.00855.43 O ATOM 52081 C5* C B2475 -847.468 -61.816 65.890 1.00855.43 C ATOM 52082 C4* C B2475 -848.850 -62.422 65.940 1.00855.43 C ATOM 52083 O4* C B2475 -848.769 -63.808 66.361 1.00855.43 O ATOM 52084 C3* C B2475 -849.773 -61.714 66.915 1.00855.43 C ATOM 52085 O3* C B2475 -850.582 -60.784 66.201 1.00855.43 O ATOM 52086 C2* C B2475 -850.599 -62.836 67.534 1.00855.43 C ATOM 52087 O2* C B2475 -851.758 -63.128 66.787 1.00855.43 O ATOM 52088 C1* C B2475 -849.635 -64.023 67.458 1.00855.43 C ATOM 52089 N1 C B2475 -848.836 -64.208 68.683 1.00855.43 N ATOM 52090 C2 C B2475 -848.216 -65.448 68.898 1.00855.43 C ATOM 52091 O2 C B2475 -848.365 -66.342 68.051 1.00855.43 O ATOM 52092 N3 C B2475 -847.479 -65.638 70.015 1.00855.43 N ATOM 52093 C4 C B2475 -847.344 -64.651 70.901 1.00855.43 C ATOM 52094 N4 C B2475 -846.602 -64.889 71.987 1.00855.43 N ATOM 52095 C5 C B2475 -847.965 -63.378 70.715 1.00855.43 C ATOM 52096 C6 C B2475 -848.695 -63.201 69.600 1.00855.43 C ATOM 52097 P A B2476 -850.605 -59.240 66.649 1.00855.43 P ATOM 52098 O1P A B2476 -850.684 -58.412 65.423 1.00855.43 O ATOM 52099 O2P A B2476 -849.488 -59.028 67.604 1.00855.43 O ATOM 52100 O5* A B2476 -851.977 -59.076 67.450 1.00855.43 O ATOM 52101 C5* A B2476 -852.703 -60.218 67.906 1.00855.43 C ATOM 52102 C4* A B2476 -852.744 -60.229 69.414 1.00855.43 C ATOM 52103 O4* A B2476 -851.393 -60.172 69.928 1.00855.43 O ATOM 52104 C3* A B2476 -853.475 -59.070 70.104 1.00855.43 C ATOM 52105 O3* A B2476 -854.864 -59.337 70.235 1.00855.43 O ATOM 52106 C2* A B2476 -852.802 -59.016 71.476 1.00855.43 C ATOM 52107 O2* A B2476 -853.380 -59.874 72.437 1.00855.43 O ATOM 52108 C1* A B2476 -851.386 -59.496 71.168 1.00855.43 C ATOM 52109 N9 A B2476 -850.385 -58.435 71.114 1.00855.43 N ATOM 52110 C8 A B2476 -850.519 -57.139 70.686 1.00855.43 C ATOM 52111 N7 A B2476 -849.407 -56.445 70.749 1.00855.43 N ATOM 52112 C5 A B2476 -848.483 -57.348 71.257 1.00855.43 C ATOM 52113 C6 A B2476 -847.118 -57.236 71.555 1.00855.43 C ATOM 52114 N6 A B2476 -846.413 -56.121 71.369 1.00855.43 N ATOM 52115 N1 A B2476 -846.490 -58.320 72.058 1.00855.43 N ATOM 52116 C2 A B2476 -847.196 -59.444 72.235 1.00855.43 C ATOM 52117 N3 A B2476 -848.481 -59.675 71.984 1.00855.43 N ATOM 52118 C4 A B2476 -849.071 -58.573 71.493 1.00855.43 C ATOM 52119 P C B2477 -855.930 -58.496 69.385 1.00855.43 P ATOM 52120 O1P C B2477 -855.473 -58.464 67.972 1.00855.43 O ATOM 52121 O2P C B2477 -856.193 -57.219 70.098 1.00855.43 O ATOM 52122 O5* C B2477 -857.238 -59.399 69.468 1.00855.43 O ATOM 52123 C5* C B2477 -857.227 -60.763 69.058 1.00855.43 C ATOM 52124 C4* C B2477 -858.189 -61.565 69.905 1.00855.43 C ATOM 52125 O4* C B2477 -857.983 -62.987 69.701 1.00855.43 O ATOM 52126 C3* C B2477 -858.045 -61.348 71.401 1.00855.43 C ATOM 52127 O3* C B2477 -858.824 -60.238 71.809 1.00855.43 O ATOM 52128 C2* C B2477 -858.536 -62.661 71.991 1.00855.43 C ATOM 52129 O2* C B2477 -859.946 -62.718 72.102 1.00855.43 O ATOM 52130 C1* C B2477 -858.047 -63.666 70.949 1.00855.43 C ATOM 52131 N1 C B2477 -856.696 -64.138 71.280 1.00855.43 N ATOM 52132 C2 C B2477 -856.541 -65.233 72.142 1.00855.43 C ATOM 52133 O2 C B2477 -857.554 -65.811 72.572 1.00855.43 O ATOM 52134 N3 C B2477 -855.300 -65.635 72.485 1.00855.43 N ATOM 52135 C4 C B2477 -854.235 -64.990 71.997 1.00855.43 C ATOM 52136 N4 C B2477 -853.025 -65.405 72.374 1.00855.43 N ATOM 52137 C5 C B2477 -854.366 -63.891 71.104 1.00855.43 C ATOM 52138 C6 C B2477 -855.599 -63.505 70.775 1.00855.43 C ATOM 52139 P C B2478 -859.048 -59.977 73.377 1.00855.43 P ATOM 52140 O1P C B2478 -859.244 -58.521 73.577 1.00855.43 O ATOM 52141 O2P C B2478 -857.966 -60.679 74.122 1.00855.43 O ATOM 52142 O5* C B2478 -860.417 -60.723 73.686 1.00855.43 O ATOM 52143 C5* C B2478 -861.474 -60.041 74.357 1.00855.43 C ATOM 52144 C4* C B2478 -861.943 -60.846 75.540 1.00855.43 C ATOM 52145 O4* C B2478 -861.939 -62.264 75.225 1.00855.43 O ATOM 52146 C3* C B2478 -861.044 -60.718 76.753 1.00855.43 C ATOM 52147 O3* C B2478 -861.372 -59.564 77.512 1.00855.43 O ATOM 52148 C2* C B2478 -861.316 -62.010 77.510 1.00855.43 C ATOM 52149 O2* C B2478 -862.481 -61.928 78.309 1.00855.43 O ATOM 52150 C1* C B2478 -861.543 -63.002 76.367 1.00855.43 C ATOM 52151 N1 C B2478 -860.318 -63.748 76.037 1.00855.43 N ATOM 52152 C2 C B2478 -860.248 -65.103 76.376 1.00855.43 C ATOM 52153 O2 C B2478 -861.226 -65.635 76.925 1.00855.43 O ATOM 52154 N3 C B2478 -859.119 -65.795 76.099 1.00855.43 N ATOM 52155 C4 C B2478 -858.094 -65.184 75.506 1.00855.43 C ATOM 52156 N4 C B2478 -856.997 -65.906 75.256 1.00855.43 N ATOM 52157 C5 C B2478 -858.142 -63.807 75.142 1.00855.43 C ATOM 52158 C6 C B2478 -859.264 -63.135 75.425 1.00855.43 C ATOM 52159 P U B2479 -860.197 -58.720 78.214 1.00855.43 P ATOM 52160 O1P U B2479 -860.800 -57.472 78.746 1.00855.43 O ATOM 52161 O2P U B2479 -859.055 -58.637 77.270 1.00855.43 O ATOM 52162 O5* U B2479 -859.756 -59.626 79.449 1.00855.43 O ATOM 52163 C5* U B2479 -860.721 -60.114 80.375 1.00855.43 C ATOM 52164 C4* U B2479 -860.117 -61.188 81.254 1.00855.43 C ATOM 52165 O4* U B2479 -859.625 -62.277 80.439 1.00855.43 O ATOM 52166 C3* U B2479 -858.945 -60.734 82.108 1.00855.43 C ATOM 52167 O3* U B2479 -859.429 -60.237 83.353 1.00855.43 O ATOM 52168 C2* U B2479 -858.145 -62.024 82.301 1.00855.43 C ATOM 52169 O2* U B2479 -858.609 -62.791 83.393 1.00855.43 O ATOM 52170 C1* U B2479 -858.431 -62.782 81.002 1.00855.43 C ATOM 52171 N1 U B2479 -857.363 -62.737 79.989 1.00855.43 N ATOM 52172 C2 U B2479 -856.171 -63.357 80.297 1.00855.43 C ATOM 52173 O2 U B2479 -855.969 -63.917 81.362 1.00855.43 O ATOM 52174 N3 U B2479 -855.215 -63.299 79.313 1.00855.43 N ATOM 52175 C4 U B2479 -855.330 -62.696 78.077 1.00855.43 C ATOM 52176 O4 U B2479 -854.386 -62.744 77.290 1.00855.43 O ATOM 52177 C5 U B2479 -856.595 -62.068 77.837 1.00855.43 C ATOM 52178 C6 U B2479 -857.545 -62.110 78.778 1.00855.43 C ATOM 52179 P C B2480 -859.521 -58.654 83.601 1.00855.43 P ATOM 52180 O1P C B2480 -860.586 -58.434 84.614 1.00855.43 O ATOM 52181 O2P C B2480 -859.613 -57.972 82.284 1.00855.43 O ATOM 52182 O5* C B2480 -858.122 -58.281 84.267 1.00855.43 O ATOM 52183 C5* C B2480 -858.056 -57.845 85.620 1.00855.43 C ATOM 52184 C4* C B2480 -857.514 -56.437 85.693 1.00855.43 C ATOM 52185 O4* C B2480 -856.176 -56.393 85.145 1.00855.43 O ATOM 52186 C3* C B2480 -858.308 -55.398 84.914 1.00855.43 C ATOM 52187 O3* C B2480 -859.378 -54.880 85.701 1.00855.43 O ATOM 52188 C2* C B2480 -857.265 -54.323 84.617 1.00855.43 C ATOM 52189 O2* C B2480 -857.152 -53.353 85.639 1.00855.43 O ATOM 52190 C1* C B2480 -855.968 -55.133 84.535 1.00855.43 C ATOM 52191 N1 C B2480 -855.425 -55.340 83.184 1.00855.43 N ATOM 52192 C2 C B2480 -854.044 -55.219 82.996 1.00855.43 C ATOM 52193 O2 C B2480 -853.326 -54.963 83.972 1.00855.43 O ATOM 52194 N3 C B2480 -853.529 -55.384 81.756 1.00855.43 N ATOM 52195 C4 C B2480 -854.332 -55.663 80.731 1.00855.43 C ATOM 52196 N4 C B2480 -853.783 -55.804 79.523 1.00855.43 N ATOM 52197 C5 C B2480 -855.742 -55.805 80.897 1.00855.43 C ATOM 52198 C6 C B2480 -856.240 -55.639 82.128 1.00855.43 C ATOM 52199 P G B2481 -860.898 -55.245 85.326 1.00855.43 P ATOM 52200 O1P G B2481 -860.892 -55.855 83.971 1.00855.43 O ATOM 52201 O2P G B2481 -861.741 -54.052 85.593 1.00855.43 O ATOM 52202 O5* G B2481 -861.282 -56.380 86.380 1.00855.43 O ATOM 52203 C5* G B2481 -860.918 -56.268 87.754 1.00855.43 C ATOM 52204 C4* G B2481 -862.157 -56.084 88.603 1.00855.43 C ATOM 52205 O4* G B2481 -862.830 -54.873 88.177 1.00855.43 O ATOM 52206 C3* G B2481 -863.193 -57.177 88.459 1.00855.43 C ATOM 52207 O3* G B2481 -862.924 -58.233 89.370 1.00855.43 O ATOM 52208 C2* G B2481 -864.500 -56.462 88.768 1.00855.43 C ATOM 52209 O2* G B2481 -864.750 -56.371 90.159 1.00855.43 O ATOM 52210 C1* G B2481 -864.231 -55.065 88.206 1.00855.43 C ATOM 52211 N9 G B2481 -864.720 -54.878 86.843 1.00855.43 N ATOM 52212 C8 G B2481 -864.483 -55.693 85.763 1.00855.43 C ATOM 52213 N7 G B2481 -865.033 -55.261 84.664 1.00855.43 N ATOM 52214 C5 G B2481 -865.678 -54.091 85.040 1.00855.43 C ATOM 52215 C6 G B2481 -866.447 -53.178 84.271 1.00855.43 C ATOM 52216 O6 G B2481 -866.717 -53.222 83.066 1.00855.43 O ATOM 52217 N1 G B2481 -866.921 -52.128 85.049 1.00855.43 N ATOM 52218 C2 G B2481 -866.685 -51.975 86.393 1.00855.43 C ATOM 52219 N2 G B2481 -867.231 -50.892 86.966 1.00855.43 N ATOM 52220 N3 G B2481 -865.970 -52.815 87.120 1.00855.43 N ATOM 52221 C4 G B2481 -865.501 -53.843 86.384 1.00855.43 C ATOM 52222 P A B2482 -862.347 -59.629 88.830 1.00855.43 P ATOM 52223 O1P A B2482 -862.057 -59.468 87.380 1.00855.43 O ATOM 52224 O2P A B2482 -863.262 -60.712 89.276 1.00855.43 O ATOM 52225 O5* A B2482 -860.969 -59.796 89.606 1.00855.43 O ATOM 52226 C5* A B2482 -860.189 -58.650 89.937 1.00855.43 C ATOM 52227 C4* A B2482 -858.907 -58.644 89.138 1.00855.43 C ATOM 52228 O4* A B2482 -858.332 -57.316 89.150 1.00855.43 O ATOM 52229 C3* A B2482 -857.807 -59.567 89.640 1.00855.43 C ATOM 52230 O3* A B2482 -857.972 -60.878 89.098 1.00855.43 O ATOM 52231 C2* A B2482 -856.543 -58.906 89.091 1.00855.43 C ATOM 52232 O2* A B2482 -856.242 -59.331 87.780 1.00855.43 O ATOM 52233 C1* A B2482 -856.929 -57.423 89.064 1.00855.43 C ATOM 52234 N9 A B2482 -856.307 -56.553 90.067 1.00855.43 N ATOM 52235 C8 A B2482 -856.862 -55.510 90.783 1.00855.43 C ATOM 52236 N7 A B2482 -856.002 -54.893 91.571 1.00855.43 N ATOM 52237 C5 A B2482 -854.828 -55.587 91.372 1.00855.43 C ATOM 52238 C6 A B2482 -853.582 -55.414 91.913 1.00855.43 C ATOM 52239 N6 A B2482 -853.329 -54.468 92.789 1.00855.43 N ATOM 52240 N1 A B2482 -852.593 -56.246 91.525 1.00855.43 N ATOM 52241 C2 A B2482 -852.885 -57.200 90.630 1.00855.43 C ATOM 52242 N3 A B2482 -854.047 -57.465 90.040 1.00855.43 N ATOM 52243 C4 A B2482 -854.994 -56.610 90.460 1.00855.43 C ATOM 52244 P U B2483 -858.342 -62.106 90.068 1.00855.43 P ATOM 52245 O1P U B2483 -859.810 -62.312 89.962 1.00855.43 O ATOM 52246 O2P U B2483 -857.730 -61.872 91.398 1.00855.43 O ATOM 52247 O5* U B2483 -857.629 -63.363 89.401 1.00855.43 O ATOM 52248 C5* U B2483 -857.537 -64.605 90.092 1.00855.43 C ATOM 52249 C4* U B2483 -856.402 -65.429 89.534 1.00855.43 C ATOM 52250 O4* U B2483 -856.615 -65.639 88.115 1.00855.43 O ATOM 52251 C3* U B2483 -855.032 -64.792 89.624 1.00855.43 C ATOM 52252 O3* U B2483 -854.432 -65.037 90.893 1.00855.43 O ATOM 52253 C2* U B2483 -854.268 -65.467 88.491 1.00855.43 C ATOM 52254 O2* U B2483 -853.741 -66.722 88.868 1.00855.43 O ATOM 52255 C1* U B2483 -855.368 -65.669 87.444 1.00855.43 C ATOM 52256 N1 U B2483 -855.390 -64.618 86.418 1.00855.43 N ATOM 52257 C2 U B2483 -854.843 -64.907 85.183 1.00855.43 C ATOM 52258 O2 U B2483 -854.365 -65.995 84.906 1.00855.43 O ATOM 52259 N3 U B2483 -854.884 -63.875 84.278 1.00855.43 N ATOM 52260 C4 U B2483 -855.404 -62.614 84.480 1.00855.43 C ATOM 52261 O4 U B2483 -855.345 -61.782 83.570 1.00855.43 O ATOM 52262 C5 U B2483 -855.956 -62.395 85.781 1.00855.43 C ATOM 52263 C6 U B2483 -855.929 -63.379 86.682 1.00855.43 C ATOM 52264 P G B2484 -853.273 -64.059 91.432 1.00855.43 P ATOM 52265 O1P G B2484 -852.705 -64.676 92.655 1.00855.43 O ATOM 52266 O2P G B2484 -853.820 -62.679 91.490 1.00855.43 O ATOM 52267 O5* G B2484 -852.157 -64.101 90.295 1.00855.43 O ATOM 52268 C5* G B2484 -851.069 -65.018 90.368 1.00855.43 C ATOM 52269 C4* G B2484 -849.803 -64.292 90.752 1.00855.43 C ATOM 52270 O4* G B2484 -850.058 -63.410 91.880 1.00855.43 O ATOM 52271 C3* G B2484 -848.658 -65.173 91.196 1.00855.43 C ATOM 52272 O3* G B2484 -847.922 -65.649 90.072 1.00855.43 O ATOM 52273 C2* G B2484 -847.834 -64.240 92.078 1.00855.43 C ATOM 52274 O2* G B2484 -846.968 -63.421 91.322 1.00855.43 O ATOM 52275 C1* G B2484 -848.917 -63.370 92.718 1.00855.43 C ATOM 52276 N9 G B2484 -849.288 -63.848 94.046 1.00855.43 N ATOM 52277 C8 G B2484 -849.912 -65.029 94.363 1.00855.43 C ATOM 52278 N7 G B2484 -850.079 -65.191 95.649 1.00855.43 N ATOM 52279 C5 G B2484 -849.536 -64.043 96.213 1.00855.43 C ATOM 52280 C6 G B2484 -849.421 -63.651 97.576 1.00855.43 C ATOM 52281 O6 G B2484 -849.786 -64.265 98.587 1.00855.43 O ATOM 52282 N1 G B2484 -848.808 -62.411 97.699 1.00855.43 N ATOM 52283 C2 G B2484 -848.360 -61.643 96.655 1.00855.43 C ATOM 52284 N2 G B2484 -847.798 -60.468 96.981 1.00855.43 N ATOM 52285 N3 G B2484 -848.455 -61.998 95.386 1.00855.43 N ATOM 52286 C4 G B2484 -849.049 -63.201 95.238 1.00855.43 C ATOM 52287 P U B2485 -847.486 -67.195 89.997 1.00855.43 P ATOM 52288 O1P U B2485 -848.327 -67.838 88.956 1.00855.43 O ATOM 52289 O2P U B2485 -847.481 -67.744 91.376 1.00855.43 O ATOM 52290 O5* U B2485 -845.986 -67.147 89.467 1.00855.43 O ATOM 52291 C5* U B2485 -844.994 -66.411 90.172 1.00855.43 C ATOM 52292 C4* U B2485 -843.671 -66.460 89.445 1.00855.43 C ATOM 52293 O4* U B2485 -842.738 -65.580 90.119 1.00855.43 O ATOM 52294 C3* U B2485 -842.980 -67.828 89.390 1.00855.43 C ATOM 52295 O3* U B2485 -843.395 -68.607 88.269 1.00855.43 O ATOM 52296 C2* U B2485 -841.505 -67.451 89.287 1.00855.43 C ATOM 52297 O2* U B2485 -841.122 -67.185 87.954 1.00855.43 O ATOM 52298 C1* U B2485 -841.441 -66.142 90.084 1.00855.43 C ATOM 52299 N1 U B2485 -840.951 -66.232 91.466 1.00855.43 N ATOM 52300 C2 U B2485 -839.580 -66.211 91.684 1.00855.43 C ATOM 52301 O2 U B2485 -838.762 -66.177 90.782 1.00855.43 O ATOM 52302 N3 U B2485 -839.203 -66.235 93.003 1.00855.43 N ATOM 52303 C4 U B2485 -840.033 -66.291 94.106 1.00855.43 C ATOM 52304 O4 U B2485 -839.544 -66.249 95.233 1.00855.43 O ATOM 52305 C5 U B2485 -841.429 -66.342 93.797 1.00855.43 C ATOM 52306 C6 U B2485 -841.828 -66.311 92.520 1.00855.43 C ATOM 52307 P C B2486 -843.481 -70.209 88.385 1.00855.43 P ATOM 52308 O1P C B2486 -843.595 -70.736 86.998 1.00855.43 O ATOM 52309 O2P C B2486 -844.507 -70.568 89.392 1.00855.43 O ATOM 52310 O5* C B2486 -842.054 -70.644 88.942 1.00855.43 O ATOM 52311 C5* C B2486 -840.895 -70.542 88.128 1.00855.43 C ATOM 52312 C4* C B2486 -839.659 -70.861 88.932 1.00855.43 C ATOM 52313 O4* C B2486 -839.501 -69.863 89.967 1.00855.43 O ATOM 52314 C3* C B2486 -839.618 -72.170 89.705 1.00855.43 C ATOM 52315 O3* C B2486 -839.260 -73.281 88.897 1.00855.43 O ATOM 52316 C2* C B2486 -838.564 -71.891 90.773 1.00855.43 C ATOM 52317 O2* C B2486 -837.249 -72.061 90.287 1.00855.43 O ATOM 52318 C1* C B2486 -838.794 -70.407 91.061 1.00855.43 C ATOM 52319 N1 C B2486 -839.584 -70.152 92.269 1.00855.43 N ATOM 52320 C2 C B2486 -838.948 -69.638 93.401 1.00855.43 C ATOM 52321 O2 C B2486 -837.729 -69.408 93.355 1.00855.43 O ATOM 52322 N3 C B2486 -839.677 -69.403 94.517 1.00855.43 N ATOM 52323 C4 C B2486 -840.985 -69.664 94.523 1.00855.43 C ATOM 52324 N4 C B2486 -841.665 -69.422 95.645 1.00855.43 N ATOM 52325 C5 C B2486 -841.658 -70.186 93.383 1.00855.43 C ATOM 52326 C6 C B2486 -840.926 -70.414 92.288 1.00855.43 C ATOM 52327 P G B2487 -839.719 -74.754 89.338 1.00855.43 P ATOM 52328 O1P G B2487 -839.148 -75.708 88.355 1.00855.43 O ATOM 52329 O2P G B2487 -841.185 -74.723 89.566 1.00855.43 O ATOM 52330 O5* G B2487 -838.988 -74.972 90.736 1.00855.43 O ATOM 52331 C5* G B2487 -837.576 -75.127 90.799 1.00855.43 C ATOM 52332 C4* G B2487 -837.095 -75.015 92.226 1.00855.43 C ATOM 52333 O4* G B2487 -837.498 -73.736 92.784 1.00855.43 O ATOM 52334 C3* G B2487 -837.596 -76.020 93.236 1.00855.43 C ATOM 52335 O3* G B2487 -836.875 -77.243 93.141 1.00855.43 O ATOM 52336 C2* G B2487 -837.360 -75.313 94.563 1.00855.43 C ATOM 52337 O2* G B2487 -836.028 -75.437 95.018 1.00855.43 O ATOM 52338 C1* G B2487 -837.649 -73.858 94.190 1.00855.43 C ATOM 52339 N9 G B2487 -839.021 -73.501 94.542 1.00855.43 N ATOM 52340 C8 G B2487 -840.116 -73.478 93.713 1.00855.43 C ATOM 52341 N7 G B2487 -841.220 -73.159 94.336 1.00855.43 N ATOM 52342 C5 G B2487 -840.827 -72.947 95.649 1.00855.43 C ATOM 52343 C6 G B2487 -841.590 -72.589 96.796 1.00855.43 C ATOM 52344 O6 G B2487 -842.808 -72.382 96.882 1.00855.43 O ATOM 52345 N1 G B2487 -840.788 -72.482 97.930 1.00855.43 N ATOM 52346 C2 G B2487 -839.430 -72.691 97.960 1.00855.43 C ATOM 52347 N2 G B2487 -838.834 -72.533 99.152 1.00855.43 N ATOM 52348 N3 G B2487 -838.713 -73.031 96.904 1.00855.43 N ATOM 52349 C4 G B2487 -839.470 -73.142 95.790 1.00855.43 C ATOM 52350 P G B2488 -837.499 -78.576 93.786 1.00855.43 P ATOM 52351 O1P G B2488 -836.544 -79.690 93.559 1.00855.43 O ATOM 52352 O2P G B2488 -838.898 -78.705 93.307 1.00855.43 O ATOM 52353 O5* G B2488 -837.537 -78.262 95.348 1.00855.43 O ATOM 52354 C5* G B2488 -836.348 -78.321 96.129 1.00855.43 C ATOM 52355 C4* G B2488 -836.693 -78.380 97.599 1.00855.43 C ATOM 52356 O4* G B2488 -837.173 -77.085 98.046 1.00855.43 O ATOM 52357 C3* G B2488 -837.824 -79.328 97.905 1.00855.43 C ATOM 52358 O3* G B2488 -837.321 -80.647 98.062 1.00855.43 O ATOM 52359 C2* G B2488 -838.411 -78.766 99.192 1.00855.43 C ATOM 52360 O2* G B2488 -837.701 -79.180 100.344 1.00855.43 O ATOM 52361 C1* G B2488 -838.223 -77.262 98.984 1.00855.43 C ATOM 52362 N9 G B2488 -839.427 -76.653 98.431 1.00855.43 N ATOM 52363 C8 G B2488 -839.634 -76.281 97.125 1.00855.43 C ATOM 52364 N7 G B2488 -840.820 -75.779 96.917 1.00855.43 N ATOM 52365 C5 G B2488 -841.432 -75.821 98.163 1.00855.43 C ATOM 52366 C6 G B2488 -842.730 -75.412 98.555 1.00855.43 C ATOM 52367 O6 G B2488 -843.625 -74.922 97.860 1.00855.43 O ATOM 52368 N1 G B2488 -842.945 -75.631 99.912 1.00855.43 N ATOM 52369 C2 G B2488 -842.029 -76.173 100.780 1.00855.43 C ATOM 52370 N2 G B2488 -842.431 -76.308 102.051 1.00855.43 N ATOM 52371 N3 G B2488 -840.814 -76.559 100.423 1.00855.43 N ATOM 52372 C4 G B2488 -840.583 -76.352 99.109 1.00855.43 C ATOM 52373 P C B2489 -838.282 -81.898 97.755 1.00855.43 P ATOM 52374 O1P C B2489 -837.417 -83.073 97.486 1.00855.43 O ATOM 52375 O2P C B2489 -839.285 -81.476 96.745 1.00855.43 O ATOM 52376 O5* C B2489 -839.038 -82.141 99.139 1.00855.43 O ATOM 52377 C5* C B2489 -838.306 -82.278 100.350 1.00855.43 C ATOM 52378 C4* C B2489 -839.240 -82.341 101.536 1.00855.43 C ATOM 52379 O4* C B2489 -839.860 -81.045 101.757 1.00855.43 O ATOM 52380 C3* C B2489 -840.397 -83.295 101.334 1.00855.43 C ATOM 52381 O3* C B2489 -840.026 -84.612 101.709 1.00855.43 O ATOM 52382 C2* C B2489 -841.470 -82.728 102.251 1.00855.43 C ATOM 52383 O2* C B2489 -841.312 -83.137 103.593 1.00855.43 O ATOM 52384 C1* C B2489 -841.213 -81.227 102.136 1.00855.43 C ATOM 52385 N1 C B2489 -842.082 -80.604 101.126 1.00855.43 N ATOM 52386 C2 C B2489 -843.328 -80.116 101.533 1.00855.43 C ATOM 52387 O2 C B2489 -843.643 -80.205 102.725 1.00855.43 O ATOM 52388 N3 C B2489 -844.153 -79.561 100.613 1.00855.43 N ATOM 52389 C4 C B2489 -843.771 -79.482 99.336 1.00855.43 C ATOM 52390 N4 C B2489 -844.622 -78.932 98.465 1.00855.43 N ATOM 52391 C5 C B2489 -842.502 -79.965 98.894 1.00855.43 C ATOM 52392 C6 C B2489 -841.697 -80.513 99.815 1.00855.43 C ATOM 52393 P U B2490 -840.456 -85.845 100.778 1.00855.43 P ATOM 52394 O1P U B2490 -839.809 -87.070 101.312 1.00855.43 O ATOM 52395 O2P U B2490 -840.229 -85.453 99.360 1.00855.43 O ATOM 52396 O5* U B2490 -842.028 -85.967 101.006 1.00855.43 O ATOM 52397 C5* U B2490 -842.565 -86.234 102.299 1.00855.43 C ATOM 52398 C4* U B2490 -844.011 -85.809 102.361 1.00855.43 C ATOM 52399 O4* U B2490 -844.117 -84.383 102.103 1.00855.43 O ATOM 52400 C3* U B2490 -844.935 -86.436 101.336 1.00855.43 C ATOM 52401 O3* U B2490 -845.391 -87.715 101.741 1.00855.43 O ATOM 52402 C2* U B2490 -846.073 -85.434 101.248 1.00855.43 C ATOM 52403 O2* U B2490 -847.019 -85.593 102.284 1.00855.43 O ATOM 52404 C1* U B2490 -845.322 -84.113 101.409 1.00855.43 C ATOM 52405 N1 U B2490 -844.978 -83.560 100.093 1.00855.43 N ATOM 52406 C2 U B2490 -845.962 -82.886 99.396 1.00855.43 C ATOM 52407 O2 U B2490 -847.082 -82.711 99.836 1.00855.43 O ATOM 52408 N3 U B2490 -845.584 -82.428 98.158 1.00855.43 N ATOM 52409 C4 U B2490 -844.348 -82.570 97.564 1.00855.43 C ATOM 52410 O4 U B2490 -844.160 -82.108 96.437 1.00855.43 O ATOM 52411 C5 U B2490 -843.381 -83.270 98.352 1.00855.43 C ATOM 52412 C6 U B2490 -843.720 -83.727 99.561 1.00855.43 C ATOM 52413 P C B2491 -845.986 -88.717 100.636 1.00855.43 P ATOM 52414 O1P C B2491 -846.380 -89.952 101.349 1.00855.43 O ATOM 52415 O2P C B2491 -844.990 -88.799 99.540 1.00855.43 O ATOM 52416 O5* C B2491 -847.269 -87.947 100.068 1.00855.43 O ATOM 52417 C5* C B2491 -848.530 -87.983 100.747 1.00855.43 C ATOM 52418 C4* C B2491 -849.664 -87.657 99.795 1.00855.43 C ATOM 52419 O4* C B2491 -849.558 -86.264 99.396 1.00855.43 O ATOM 52420 C3* C B2491 -849.595 -88.429 98.484 1.00855.43 C ATOM 52421 O3* C B2491 -850.165 -89.730 98.505 1.00855.43 O ATOM 52422 C2* C B2491 -850.309 -87.507 97.513 1.00855.43 C ATOM 52423 O2* C B2491 -851.716 -87.637 97.583 1.00855.43 O ATOM 52424 C1* C B2491 -849.868 -86.132 98.019 1.00855.43 C ATOM 52425 N1 C B2491 -848.651 -85.679 97.331 1.00855.43 N ATOM 52426 C2 C B2491 -848.772 -84.855 96.210 1.00855.43 C ATOM 52427 O2 C B2491 -849.901 -84.526 95.825 1.00855.43 O ATOM 52428 N3 C B2491 -847.653 -84.441 95.573 1.00855.43 N ATOM 52429 C4 C B2491 -846.453 -84.816 96.017 1.00855.43 C ATOM 52430 N4 C B2491 -845.378 -84.385 95.358 1.00855.43 N ATOM 52431 C5 C B2491 -846.300 -85.655 97.159 1.00855.43 C ATOM 52432 C6 C B2491 -847.416 -86.056 97.780 1.00855.43 C ATOM 52433 P G B2492 -849.187 -90.995 98.508 1.00855.43 P ATOM 52434 O1P G B2492 -849.884 -92.194 99.046 1.00855.43 O ATOM 52435 O2P G B2492 -847.974 -90.467 99.158 1.00855.43 O ATOM 52436 O5* G B2492 -848.755 -91.222 97.001 1.00855.43 O ATOM 52437 C5* G B2492 -847.843 -90.323 96.409 1.00855.43 C ATOM 52438 C4* G B2492 -848.592 -89.382 95.531 1.00855.43 C ATOM 52439 O4* G B2492 -847.910 -88.119 95.411 1.00855.43 O ATOM 52440 C3* G B2492 -848.871 -89.762 94.090 1.00855.43 C ATOM 52441 O3* G B2492 -849.922 -90.719 94.036 1.00855.43 O ATOM 52442 C2* G B2492 -849.227 -88.425 93.447 1.00855.43 C ATOM 52443 O2* G B2492 -850.592 -88.116 93.623 1.00855.43 O ATOM 52444 C1* G B2492 -848.400 -87.438 94.280 1.00855.43 C ATOM 52445 N9 G B2492 -847.258 -86.855 93.582 1.00855.43 N ATOM 52446 C8 G B2492 -845.932 -87.175 93.747 1.00855.43 C ATOM 52447 N7 G B2492 -845.138 -86.464 92.993 1.00855.43 N ATOM 52448 C5 G B2492 -845.995 -85.631 92.287 1.00855.43 C ATOM 52449 C6 G B2492 -845.719 -84.636 91.315 1.00855.43 C ATOM 52450 O6 G B2492 -844.623 -84.273 90.871 1.00855.43 O ATOM 52451 N1 G B2492 -846.885 -84.037 90.859 1.00855.43 N ATOM 52452 C2 G B2492 -848.152 -84.351 91.276 1.00855.43 C ATOM 52453 N2 G B2492 -849.143 -83.667 90.714 1.00855.43 N ATOM 52454 N3 G B2492 -848.424 -85.272 92.181 1.00855.43 N ATOM 52455 C4 G B2492 -847.307 -85.867 92.639 1.00855.43 C ATOM 52456 P U B2493 -850.275 -92.327 94.227 1.00854.56 P ATOM 52457 O1P U B2493 -851.280 -93.040 95.055 1.00854.56 O ATOM 52458 O2P U B2493 -848.829 -92.498 94.516 1.00854.56 O ATOM 52459 O5* U B2493 -850.534 -92.713 92.707 1.00854.56 O ATOM 52460 C5* U B2493 -851.840 -93.061 92.272 1.00854.56 C ATOM 52461 C4* U B2493 -852.259 -92.181 91.126 1.00854.56 C ATOM 52462 O4* U B2493 -852.023 -90.790 91.464 1.00854.56 O ATOM 52463 C3* U B2493 -851.505 -92.395 89.833 1.00854.56 C ATOM 52464 O3* U B2493 -852.022 -93.480 89.081 1.00854.56 O ATOM 52465 C2* U B2493 -851.666 -91.057 89.127 1.00854.56 C ATOM 52466 O2* U B2493 -852.906 -90.929 88.458 1.00854.56 O ATOM 52467 C1* U B2493 -851.608 -90.085 90.305 1.00854.56 C ATOM 52468 N1 U B2493 -850.232 -89.614 90.509 1.00854.56 N ATOM 52469 C2 U B2493 -849.978 -88.296 90.207 1.00854.56 C ATOM 52470 O2 U B2493 -850.832 -87.547 89.766 1.00854.56 O ATOM 52471 N3 U B2493 -848.689 -87.890 90.423 1.00854.56 N ATOM 52472 C4 U B2493 -847.634 -88.675 90.869 1.00854.56 C ATOM 52473 O4 U B2493 -846.499 -88.190 90.936 1.00854.56 O ATOM 52474 C5 U B2493 -847.980 -90.035 91.148 1.00854.56 C ATOM 52475 C6 U B2493 -849.240 -90.448 90.968 1.00854.56 C ATOM 52476 P C B2494 -851.093 -94.169 87.970 1.00854.56 P ATOM 52477 O1P C B2494 -851.743 -95.434 87.545 1.00854.56 O ATOM 52478 O2P C B2494 -849.702 -94.198 88.485 1.00854.56 O ATOM 52479 O5* C B2494 -851.147 -93.140 86.759 1.00854.56 O ATOM 52480 C5* C B2494 -852.395 -92.766 86.192 1.00854.56 C ATOM 52481 C4* C B2494 -852.180 -91.904 84.972 1.00854.56 C ATOM 52482 O4* C B2494 -851.486 -90.684 85.340 1.00854.56 O ATOM 52483 C3* C B2494 -851.312 -92.448 83.856 1.00854.56 C ATOM 52484 O3* C B2494 -852.042 -93.370 83.059 1.00854.56 O ATOM 52485 C2* C B2494 -850.905 -91.199 83.086 1.00854.56 C ATOM 52486 O2* C B2494 -851.884 -90.796 82.146 1.00854.56 O ATOM 52487 C1* C B2494 -850.819 -90.158 84.205 1.00854.56 C ATOM 52488 N1 C B2494 -849.428 -89.846 84.574 1.00854.56 N ATOM 52489 C2 C B2494 -848.761 -88.850 83.865 1.00854.56 C ATOM 52490 O2 C B2494 -849.369 -88.245 82.970 1.00854.56 O ATOM 52491 N3 C B2494 -847.476 -88.563 84.171 1.00854.56 N ATOM 52492 C4 C B2494 -846.858 -89.231 85.147 1.00854.56 C ATOM 52493 N4 C B2494 -845.583 -88.918 85.402 1.00854.56 N ATOM 52494 C5 C B2494 -847.517 -90.252 85.893 1.00854.56 C ATOM 52495 C6 C B2494 -848.792 -90.524 85.577 1.00854.56 C ATOM 52496 P G B2495 -851.266 -94.580 82.348 1.00854.56 P ATOM 52497 O1P G B2495 -852.267 -95.396 81.617 1.00854.56 O ATOM 52498 O2P G B2495 -850.386 -95.228 83.358 1.00854.56 O ATOM 52499 O5* G B2495 -850.337 -93.849 81.281 1.00854.56 O ATOM 52500 C5* G B2495 -850.913 -93.141 80.193 1.00854.56 C ATOM 52501 C4* G B2495 -849.835 -92.545 79.321 1.00854.56 C ATOM 52502 O4* G B2495 -849.088 -91.541 80.052 1.00854.56 O ATOM 52503 C3* G B2495 -848.806 -93.536 78.798 1.00854.56 C ATOM 52504 O3* G B2495 -849.260 -94.154 77.596 1.00854.56 O ATOM 52505 C2* G B2495 -847.584 -92.649 78.564 1.00854.56 C ATOM 52506 O2* G B2495 -847.613 -92.001 77.309 1.00854.56 O ATOM 52507 C1* G B2495 -847.725 -91.600 79.673 1.00854.56 C ATOM 52508 N9 G B2495 -846.914 -91.871 80.858 1.00854.56 N ATOM 52509 C8 G B2495 -847.347 -91.996 82.156 1.00854.56 C ATOM 52510 N7 G B2495 -846.378 -92.217 82.999 1.00854.56 N ATOM 52511 C5 G B2495 -845.233 -92.244 82.212 1.00854.56 C ATOM 52512 C6 G B2495 -843.871 -92.447 82.566 1.00854.56 C ATOM 52513 O6 G B2495 -843.384 -92.643 83.691 1.00854.56 O ATOM 52514 N1 G B2495 -843.040 -92.399 81.449 1.00854.56 N ATOM 52515 C2 G B2495 -843.462 -92.186 80.161 1.00854.56 C ATOM 52516 N2 G B2495 -842.510 -92.173 79.220 1.00854.56 N ATOM 52517 N3 G B2495 -844.725 -91.993 79.817 1.00854.56 N ATOM 52518 C4 G B2495 -845.551 -92.035 80.887 1.00854.56 C ATOM 52519 P C B2496 -848.862 -95.679 77.280 1.00854.56 P ATOM 52520 O1P C B2496 -849.511 -96.037 75.992 1.00854.56 O ATOM 52521 O2P C B2496 -849.143 -96.494 78.489 1.00854.56 O ATOM 52522 O5* C B2496 -847.287 -95.627 77.048 1.00854.56 O ATOM 52523 C5* C B2496 -846.734 -94.789 76.037 1.00854.56 C ATOM 52524 C4* C B2496 -845.220 -94.810 76.096 1.00854.56 C ATOM 52525 O4* C B2496 -844.790 -94.307 77.380 1.00854.56 O ATOM 52526 C3* C B2496 -844.504 -96.150 75.955 1.00854.56 C ATOM 52527 O3* C B2496 -844.310 -96.459 74.574 1.00854.56 O ATOM 52528 C2* C B2496 -843.161 -95.900 76.645 1.00854.56 C ATOM 52529 O2* C B2496 -842.192 -95.369 75.761 1.00854.56 O ATOM 52530 C1* C B2496 -843.512 -94.823 77.680 1.00854.56 C ATOM 52531 N1 C B2496 -843.458 -95.195 79.105 1.00854.56 N ATOM 52532 C2 C B2496 -842.206 -95.355 79.709 1.00854.56 C ATOM 52533 O2 C B2496 -841.185 -95.234 79.016 1.00854.56 O ATOM 52534 N3 C B2496 -842.138 -95.642 81.030 1.00854.56 N ATOM 52535 C4 C B2496 -843.259 -95.770 81.742 1.00854.56 C ATOM 52536 N4 C B2496 -843.144 -96.043 83.046 1.00854.56 N ATOM 52537 C5 C B2496 -844.550 -95.631 81.150 1.00854.56 C ATOM 52538 C6 C B2496 -844.601 -95.351 79.840 1.00854.56 C ATOM 52539 P A B2497 -843.515 -97.785 74.141 1.00854.56 P ATOM 52540 O1P A B2497 -843.898 -98.073 72.737 1.00854.56 O ATOM 52541 O2P A B2497 -843.717 -98.827 75.182 1.00854.56 O ATOM 52542 O5* A B2497 -841.980 -97.350 74.146 1.00854.56 O ATOM 52543 C5* A B2497 -841.308 -97.042 72.922 1.00854.56 C ATOM 52544 C4* A B2497 -840.536 -95.747 73.050 1.00854.56 C ATOM 52545 O4* A B2497 -841.442 -94.624 73.123 1.00854.56 O ATOM 52546 C3* A B2497 -839.627 -95.585 74.270 1.00854.56 C ATOM 52547 O3* A B2497 -838.346 -96.197 74.150 1.00854.56 O ATOM 52548 C2* A B2497 -839.468 -94.064 74.363 1.00854.56 C ATOM 52549 O2* A B2497 -838.396 -93.587 73.580 1.00854.56 O ATOM 52550 C1* A B2497 -840.785 -93.554 73.762 1.00854.56 C ATOM 52551 N9 A B2497 -841.716 -92.887 74.674 1.00854.56 N ATOM 52552 C8 A B2497 -841.440 -92.370 75.919 1.00854.56 C ATOM 52553 N7 A B2497 -842.461 -91.781 76.486 1.00854.56 N ATOM 52554 C5 A B2497 -843.486 -91.928 75.563 1.00854.56 C ATOM 52555 C6 A B2497 -844.827 -91.506 75.563 1.00854.56 C ATOM 52556 N6 A B2497 -845.389 -90.819 76.560 1.00854.56 N ATOM 52557 N1 A B2497 -845.584 -91.819 74.485 1.00854.56 N ATOM 52558 C2 A B2497 -845.018 -92.501 73.481 1.00854.56 C ATOM 52559 N3 A B2497 -843.770 -92.941 73.363 1.00854.56 N ATOM 52560 C4 A B2497 -843.044 -92.618 74.447 1.00854.56 C ATOM 52561 P U B2498 -837.325 -96.195 75.393 1.00854.56 P ATOM 52562 O1P U B2498 -836.444 -95.015 75.214 1.00854.56 O ATOM 52563 O2P U B2498 -836.723 -97.546 75.512 1.00854.56 O ATOM 52564 O5* U B2498 -838.252 -95.951 76.668 1.00854.56 O ATOM 52565 C5* U B2498 -837.713 -95.494 77.914 1.00854.56 C ATOM 52566 C4* U B2498 -837.741 -96.612 78.932 1.00854.56 C ATOM 52567 O4* U B2498 -839.063 -97.202 78.871 1.00854.56 O ATOM 52568 C3* U B2498 -836.757 -97.763 78.638 1.00854.56 C ATOM 52569 O3* U B2498 -835.548 -97.645 79.399 1.00854.56 O ATOM 52570 C2* U B2498 -837.500 -98.991 79.170 1.00854.56 C ATOM 52571 O2* U B2498 -837.260 -99.220 80.544 1.00854.56 O ATOM 52572 C1* U B2498 -838.968 -98.607 78.977 1.00854.56 C ATOM 52573 N1 U B2498 -839.664 -99.206 77.826 1.00854.56 N ATOM 52574 C2 U B2498 -840.654-100.132 78.090 1.00854.56 C ATOM 52575 O2 U B2498 -840.928-100.504 79.218 1.00854.56 O ATOM 52576 N3 U B2498 -841.309-100.613 76.984 1.00854.56 N ATOM 52577 C4 U B2498 -841.074-100.274 75.666 1.00854.56 C ATOM 52578 O4 U B2498 -841.785-100.753 74.782 1.00854.56 O ATOM 52579 C5 U B2498 -840.016 -99.329 75.475 1.00854.56 C ATOM 52580 C6 U B2498 -839.362 -98.844 76.533 1.00854.56 C ATOM 52581 P C B2499 -834.378 -96.633 78.944 1.00854.56 P ATOM 52582 O1P C B2499 -834.744 -95.992 77.655 1.00854.56 O ATOM 52583 O2P C B2499 -833.093 -97.366 79.050 1.00854.56 O ATOM 52584 O5* C B2499 -834.380 -95.511 80.082 1.00854.56 O ATOM 52585 C5* C B2499 -833.157 -95.055 80.663 1.00854.56 C ATOM 52586 C4* C B2499 -833.142 -95.324 82.154 1.00854.56 C ATOM 52587 O4* C B2499 -834.320 -94.749 82.778 1.00854.56 O ATOM 52588 C3* C B2499 -833.202 -96.773 82.549 1.00854.56 C ATOM 52589 O3* C B2499 -831.896 -97.330 82.511 1.00854.56 O ATOM 52590 C2* C B2499 -833.756 -96.730 83.970 1.00854.56 C ATOM 52591 O2* C B2499 -832.756 -96.492 84.940 1.00854.56 O ATOM 52592 C1* C B2499 -834.702 -95.531 83.897 1.00854.56 C ATOM 52593 N1 C B2499 -836.100 -95.949 83.705 1.00854.56 N ATOM 52594 C2 C B2499 -836.978 -95.937 84.800 1.00854.56 C ATOM 52595 O2 C B2499 -836.570 -95.546 85.905 1.00854.56 O ATOM 52596 N3 C B2499 -838.249 -96.346 84.624 1.00854.56 N ATOM 52597 C4 C B2499 -838.661 -96.754 83.423 1.00854.56 C ATOM 52598 N4 C B2499 -839.921 -97.161 83.304 1.00854.56 N ATOM 52599 C5 C B2499 -837.795 -96.762 82.293 1.00854.56 C ATOM 52600 C6 C B2499 -836.535 -96.355 82.477 1.00854.56 C ATOM 52601 P C B2500 -831.692 -98.830 81.973 1.00854.56 P ATOM 52602 O1P C B2500 -830.258 -98.997 81.629 1.00854.56 O ATOM 52603 O2P C B2500 -832.730 -99.102 80.945 1.00854.56 O ATOM 52604 O5* C B2500 -832.006 -99.737 83.246 1.00854.56 O ATOM 52605 C5* C B2500 -831.016 -99.944 84.252 1.00854.56 C ATOM 52606 C4* C B2500 -831.606-100.716 85.408 1.00854.56 C ATOM 52607 O4* C B2500 -832.762-100.019 85.943 1.00854.56 O ATOM 52608 C3* C B2500 -832.094-102.124 85.102 1.00854.56 C ATOM 52609 O3* C B2500 -831.014-103.042 85.163 1.00854.56 O ATOM 52610 C2* C B2500 -833.129-102.367 86.199 1.00854.56 C ATOM 52611 O2* C B2500 -832.546-102.798 87.410 1.00854.56 O ATOM 52612 C1* C B2500 -833.714-100.966 86.397 1.00854.56 C ATOM 52613 N1 C B2500 -834.978-100.741 85.674 1.00854.56 N ATOM 52614 C2 C B2500 -836.150-101.329 86.168 1.00854.56 C ATOM 52615 O2 C B2500 -836.082-102.027 87.193 1.00854.56 O ATOM 52616 N3 C B2500 -837.318-101.124 85.521 1.00854.56 N ATOM 52617 C4 C B2500 -837.344-100.367 84.420 1.00854.56 C ATOM 52618 N4 C B2500 -838.522-100.188 83.812 1.00854.56 N ATOM 52619 C5 C B2500 -836.169 -99.759 83.894 1.00854.56 C ATOM 52620 C6 C B2500 -835.016 -99.972 84.547 1.00854.56 C ATOM 52621 P U B2501 -831.125-104.452 84.399 1.00854.56 P ATOM 52622 O1P U B2501 -830.070-105.345 84.941 1.00854.56 O ATOM 52623 O2P U B2501 -831.183-104.187 82.940 1.00854.56 O ATOM 52624 O5* U B2501 -832.540-105.017 84.859 1.00854.56 O ATOM 52625 C5* U B2501 -833.146-106.098 84.171 1.00854.56 C ATOM 52626 C4* U B2501 -834.107-106.820 85.081 1.00854.56 C ATOM 52627 O4* U B2501 -835.215-105.941 85.405 1.00854.56 O ATOM 52628 C3* U B2501 -834.778-108.021 84.472 1.00854.56 C ATOM 52629 O3* U B2501 -833.908-109.140 84.549 1.00854.56 O ATOM 52630 C2* U B2501 -836.039-108.166 85.312 1.00854.56 C ATOM 52631 O2* U B2501 -835.791-108.816 86.541 1.00854.56 O ATOM 52632 C1* U B2501 -836.397-106.703 85.568 1.00854.56 C ATOM 52633 N1 U B2501 -837.374-106.219 84.584 1.00854.56 N ATOM 52634 C2 U B2501 -838.714-106.407 84.856 1.00854.56 C ATOM 52635 O2 U B2501 -839.112-106.919 85.887 1.00854.56 O ATOM 52636 N3 U B2501 -839.570-105.967 83.875 1.00854.56 N ATOM 52637 C4 U B2501 -839.226-105.373 82.678 1.00854.56 C ATOM 52638 O4 U B2501 -840.112-105.071 81.873 1.00854.56 O ATOM 52639 C5 U B2501 -837.821-105.195 82.481 1.00854.56 C ATOM 52640 C6 U B2501 -836.967-105.613 83.417 1.00854.56 C ATOM 52641 P G B2502 -833.709-110.066 83.253 1.00854.56 P ATOM 52642 O1P G B2502 -833.026-111.310 83.690 1.00854.56 O ATOM 52643 O2P G B2502 -833.098-109.230 82.186 1.00854.56 O ATOM 52644 O5* G B2502 -835.190-110.439 82.805 1.00854.56 O ATOM 52645 C5* G B2502 -836.035-111.194 83.664 1.00854.56 C ATOM 52646 C4* G B2502 -837.399-111.376 83.041 1.00854.56 C ATOM 52647 O4* G B2502 -838.063-110.092 82.905 1.00854.56 O ATOM 52648 C3* G B2502 -837.339-111.939 81.630 1.00854.56 C ATOM 52649 O3* G B2502 -837.298-113.361 81.625 1.00854.56 O ATOM 52650 C2* G B2502 -838.628-111.417 81.015 1.00854.56 C ATOM 52651 O2* G B2502 -839.730-112.218 81.389 1.00854.56 O ATOM 52652 C1* G B2502 -838.748-110.039 81.668 1.00854.56 C ATOM 52653 N9 G B2502 -838.124-109.016 80.834 1.00854.56 N ATOM 52654 C8 G B2502 -836.813-108.604 80.857 1.00854.56 C ATOM 52655 N7 G B2502 -836.542-107.704 79.950 1.00854.56 N ATOM 52656 C5 G B2502 -837.748-107.500 79.296 1.00854.56 C ATOM 52657 C6 G B2502 -838.079-106.644 78.210 1.00854.56 C ATOM 52658 O6 G B2502 -837.340-105.878 77.578 1.00854.56 O ATOM 52659 N1 G B2502 -839.421-106.745 77.865 1.00854.56 N ATOM 52660 C2 G B2502 -840.331-107.566 78.480 1.00854.56 C ATOM 52661 N2 G B2502 -841.578-107.519 77.998 1.00854.56 N ATOM 52662 N3 G B2502 -840.041-108.375 79.485 1.00854.56 N ATOM 52663 C4 G B2502 -838.739-108.290 79.839 1.00854.56 C ATOM 52664 P G B2503 -835.998-114.112 81.044 1.00854.56 P ATOM 52665 O1P G B2503 -835.743-115.297 81.901 1.00854.56 O ATOM 52666 O2P G B2503 -834.931-113.100 80.858 1.00854.56 O ATOM 52667 O5* G B2503 -836.443-114.627 79.601 1.00854.56 O ATOM 52668 C5* G B2503 -837.533-115.536 79.447 1.00854.56 C ATOM 52669 C4* G B2503 -838.335-115.193 78.212 1.00854.56 C ATOM 52670 O4* G B2503 -838.832-113.835 78.332 1.00854.56 O ATOM 52671 C3* G B2503 -837.568-115.203 76.905 1.00854.56 C ATOM 52672 O3* G B2503 -837.538-116.525 76.364 1.00854.56 O ATOM 52673 C2* G B2503 -838.382-114.250 76.034 1.00854.56 C ATOM 52674 O2* G B2503 -839.497-114.888 75.450 1.00854.56 O ATOM 52675 C1* G B2503 -838.862-113.218 77.056 1.00854.56 C ATOM 52676 N9 G B2503 -838.010-112.035 77.109 1.00854.56 N ATOM 52677 C8 G B2503 -837.040-111.759 78.041 1.00854.56 C ATOM 52678 N7 G B2503 -836.433-110.625 77.833 1.00854.56 N ATOM 52679 C5 G B2503 -837.039-110.114 76.692 1.00854.56 C ATOM 52680 C6 G B2503 -836.799-108.903 75.986 1.00854.56 C ATOM 52681 O6 G B2503 -835.978-108.012 76.236 1.00854.56 O ATOM 52682 N1 G B2503 -837.639-108.780 74.886 1.00854.56 N ATOM 52683 C2 G B2503 -838.590-109.696 74.510 1.00854.56 C ATOM 52684 N2 G B2503 -839.299-109.392 73.413 1.00854.56 N ATOM 52685 N3 G B2503 -838.823-110.829 75.157 1.00854.56 N ATOM 52686 C4 G B2503 -838.018-110.970 76.232 1.00854.56 C ATOM 52687 P G B2504 -836.572-116.857 75.117 1.00854.56 P ATOM 52688 O1P G B2504 -836.960-118.198 74.606 1.00854.56 O ATOM 52689 O2P G B2504 -835.169-116.613 75.538 1.00854.56 O ATOM 52690 O5* G B2504 -836.953-115.782 73.999 1.00854.56 O ATOM 52691 C5* G B2504 -835.953-115.253 73.136 1.00854.56 C ATOM 52692 C4* G B2504 -836.545-114.241 72.181 1.00854.56 C ATOM 52693 O4* G B2504 -836.949-113.081 72.946 1.00854.56 O ATOM 52694 C3* G B2504 -835.611-113.670 71.127 1.00854.56 C ATOM 52695 O3* G B2504 -835.501-114.512 69.985 1.00854.56 O ATOM 52696 C2* G B2504 -836.255-112.332 70.800 1.00854.56 C ATOM 52697 O2* G B2504 -837.318-112.450 69.876 1.00854.56 O ATOM 52698 C1* G B2504 -836.794-111.909 72.170 1.00854.56 C ATOM 52699 N9 G B2504 -835.864-111.048 72.883 1.00854.56 N ATOM 52700 C8 G B2504 -835.266-111.320 74.091 1.00854.56 C ATOM 52701 N7 G B2504 -834.463-110.372 74.490 1.00854.56 N ATOM 52702 C5 G B2504 -834.539-109.417 73.486 1.00854.56 C ATOM 52703 C6 G B2504 -833.886-108.168 73.365 1.00854.56 C ATOM 52704 O6 G B2504 -833.085-107.643 74.146 1.00854.56 O ATOM 52705 N1 G B2504 -834.246-107.519 72.190 1.00854.56 N ATOM 52706 C2 G B2504 -835.123-108.009 71.250 1.00854.56 C ATOM 52707 N2 G B2504 -835.341-107.228 70.182 1.00854.56 N ATOM 52708 N3 G B2504 -835.735-109.175 71.352 1.00854.56 N ATOM 52709 C4 G B2504 -835.400-109.818 72.487 1.00854.56 C ATOM 52710 P G B2505 -834.209-114.379 69.027 1.00854.56 P ATOM 52711 O1P G B2505 -834.388-115.339 67.908 1.00854.56 O ATOM 52712 O2P G B2505 -832.993-114.450 69.876 1.00854.56 O ATOM 52713 O5* G B2505 -834.308-112.905 68.428 1.00854.56 O ATOM 52714 C5* G B2505 -834.872-112.675 67.139 1.00854.56 C ATOM 52715 C4* G B2505 -834.006-111.720 66.340 1.00854.56 C ATOM 52716 O4* G B2505 -834.180-110.367 66.838 1.00854.56 O ATOM 52717 C3* G B2505 -832.509-111.964 66.446 1.00854.56 C ATOM 52718 O3* G B2505 -832.031-112.972 65.562 1.00854.56 O ATOM 52719 C2* G B2505 -831.925-110.601 66.100 1.00854.56 C ATOM 52720 O2* G B2505 -831.837-110.379 64.705 1.00854.56 O ATOM 52721 C1* G B2505 -832.959-109.654 66.708 1.00854.56 C ATOM 52722 N9 G B2505 -832.548-109.183 68.027 1.00854.56 N ATOM 52723 C8 G B2505 -832.851-109.732 69.252 1.00854.56 C ATOM 52724 N7 G B2505 -832.296-109.094 70.248 1.00854.56 N ATOM 52725 C5 G B2505 -831.592-108.062 69.646 1.00854.56 C ATOM 52726 C6 G B2505 -830.770-107.034 70.214 1.00854.56 C ATOM 52727 O6 G B2505 -830.480-106.835 71.398 1.00854.56 O ATOM 52728 N1 G B2505 -830.258-106.194 69.233 1.00854.56 N ATOM 52729 C2 G B2505 -830.480-106.320 67.890 1.00854.56 C ATOM 52730 N2 G B2505 -829.894-105.402 67.114 1.00854.56 N ATOM 52731 N3 G B2505 -831.225-107.269 67.348 1.00854.56 N ATOM 52732 C4 G B2505 -831.745-108.097 68.277 1.00854.56 C ATOM 52733 P C B2506 -830.763-113.863 65.985 1.00854.56 P ATOM 52734 O1P C B2506 -830.645-114.972 65.002 1.00854.56 O ATOM 52735 O2P C B2506 -830.875-114.177 67.431 1.00854.56 O ATOM 52736 O5* C B2506 -829.518-112.888 65.784 1.00854.56 O ATOM 52737 C5* C B2506 -829.247-112.300 64.514 1.00854.56 C ATOM 52738 C4* C B2506 -828.405-111.057 64.676 1.00854.56 C ATOM 52739 O4* C B2506 -829.081-110.128 65.564 1.00854.56 O ATOM 52740 C3* C B2506 -827.034-111.206 65.306 1.00854.56 C ATOM 52741 O3* C B2506 -826.073-111.651 64.358 1.00854.56 O ATOM 52742 C2* C B2506 -826.734-109.796 65.805 1.00854.56 C ATOM 52743 O2* C B2506 -826.222-108.938 64.810 1.00854.56 O ATOM 52744 C1* C B2506 -828.123-109.313 66.218 1.00854.56 C ATOM 52745 N1 C B2506 -828.302-109.446 67.669 1.00854.56 N ATOM 52746 C2 C B2506 -827.871-108.404 68.493 1.00854.56 C ATOM 52747 O2 C B2506 -827.403-107.382 67.967 1.00854.56 O ATOM 52748 N3 C B2506 -827.972-108.536 69.834 1.00854.56 N ATOM 52749 C4 C B2506 -828.491-109.651 70.355 1.00854.56 C ATOM 52750 N4 C B2506 -828.560-109.743 71.685 1.00854.56 N ATOM 52751 C5 C B2506 -828.961-110.718 69.537 1.00854.56 C ATOM 52752 C6 C B2506 -828.851-110.573 68.210 1.00854.56 C ATOM 52753 P U B2507 -824.792-112.485 64.860 1.00854.56 P ATOM 52754 O1P U B2507 -823.985-112.817 63.656 1.00854.56 O ATOM 52755 O2P U B2507 -825.266-113.573 65.747 1.00854.56 O ATOM 52756 O5* U B2507 -823.971-111.440 65.742 1.00854.56 O ATOM 52757 C5* U B2507 -823.515-110.223 65.163 1.00854.56 C ATOM 52758 C4* U B2507 -823.049-109.255 66.221 1.00854.56 C ATOM 52759 O4* U B2507 -824.126-108.935 67.141 1.00854.56 O ATOM 52760 C3* U B2507 -821.926-109.771 67.094 1.00854.56 C ATOM 52761 O3* U B2507 -820.673-109.575 66.448 1.00854.56 O ATOM 52762 C2* U B2507 -822.073-108.923 68.358 1.00854.56 C ATOM 52763 O2* U B2507 -821.479-107.653 68.211 1.00854.56 O ATOM 52764 C1* U B2507 -823.596-108.747 68.443 1.00854.56 C ATOM 52765 N1 U B2507 -824.249-109.700 69.354 1.00854.56 N ATOM 52766 C2 U B2507 -824.104-109.523 70.729 1.00854.56 C ATOM 52767 O2 U B2507 -823.451-108.630 71.235 1.00854.56 O ATOM 52768 N3 U B2507 -824.754-110.452 71.501 1.00854.56 N ATOM 52769 C4 U B2507 -825.514-111.509 71.062 1.00854.56 C ATOM 52770 O4 U B2507 -826.051-112.248 71.887 1.00854.56 O ATOM 52771 C5 U B2507 -825.618-111.626 69.638 1.00854.56 C ATOM 52772 C6 U B2507 -824.996-110.739 68.854 1.00854.56 C ATOM 52773 P G B2508 -819.669-110.814 66.270 1.00854.56 P ATOM 52774 O1P G B2508 -819.033-110.696 64.936 1.00854.56 O ATOM 52775 O2P G B2508 -820.397-112.056 66.633 1.00854.56 O ATOM 52776 O5* G B2508 -818.563-110.538 67.380 1.00854.56 O ATOM 52777 C5* G B2508 -817.187-110.805 67.134 1.00854.56 C ATOM 52778 C4* G B2508 -816.460-109.526 66.792 1.00854.56 C ATOM 52779 O4* G B2508 -816.363-109.374 65.354 1.00854.56 O ATOM 52780 C3* G B2508 -817.112-108.219 67.241 1.00854.56 C ATOM 52781 O3* G B2508 -816.836-107.933 68.608 1.00854.56 O ATOM 52782 C2* G B2508 -816.492-107.183 66.305 1.00854.56 C ATOM 52783 O2* G B2508 -815.264-106.681 66.791 1.00854.56 O ATOM 52784 C1* G B2508 -816.240-108.000 65.036 1.00854.56 C ATOM 52785 N9 G B2508 -817.116-107.693 63.908 1.00854.56 N ATOM 52786 C8 G B2508 -818.484-107.796 63.854 1.00854.56 C ATOM 52787 N7 G B2508 -818.980-107.451 62.696 1.00854.56 N ATOM 52788 C5 G B2508 -817.868-107.098 61.941 1.00854.56 C ATOM 52789 C6 G B2508 -817.773-106.640 60.600 1.00854.56 C ATOM 52790 O6 G B2508 -818.683-106.449 59.784 1.00854.56 O ATOM 52791 N1 G B2508 -816.455-106.400 60.233 1.00854.56 N ATOM 52792 C2 G B2508 -815.364-106.569 61.054 1.00854.56 C ATOM 52793 N2 G B2508 -814.170-106.279 60.519 1.00854.56 N ATOM 52794 N3 G B2508 -815.438-106.995 62.302 1.00854.56 N ATOM 52795 C4 G B2508 -816.713-107.238 62.677 1.00854.56 C ATOM 52796 P A B2509 -818.046-107.671 69.629 1.00854.56 P ATOM 52797 O1P A B2509 -819.156-108.587 69.252 1.00854.56 O ATOM 52798 O2P A B2509 -818.297-106.209 69.691 1.00854.56 O ATOM 52799 O5* A B2509 -817.476-108.146 71.039 1.00854.56 O ATOM 52800 C5* A B2509 -816.929-109.453 71.201 1.00854.56 C ATOM 52801 C4* A B2509 -817.667-110.194 72.290 1.00854.56 C ATOM 52802 O4* A B2509 -819.098-110.038 72.108 1.00854.56 O ATOM 52803 C3* A B2509 -817.453-111.695 72.314 1.00854.56 C ATOM 52804 O3* A B2509 -816.261-112.027 73.013 1.00854.56 O ATOM 52805 C2* A B2509 -818.701-112.200 73.025 1.00854.56 C ATOM 52806 O2* A B2509 -818.597-112.117 74.433 1.00854.56 O ATOM 52807 C1* A B2509 -819.762-111.222 72.520 1.00854.56 C ATOM 52808 N9 A B2509 -820.488-111.766 71.373 1.00854.56 N ATOM 52809 C8 A B2509 -820.253-111.522 70.041 1.00854.56 C ATOM 52810 N7 A B2509 -821.047-112.179 69.233 1.00854.56 N ATOM 52811 C5 A B2509 -821.868-112.900 70.088 1.00854.56 C ATOM 52812 C6 A B2509 -822.923-113.794 69.852 1.00854.56 C ATOM 52813 N6 A B2509 -823.347-114.137 68.632 1.00854.56 N ATOM 52814 N1 A B2509 -823.537-114.338 70.924 1.00854.56 N ATOM 52815 C2 A B2509 -823.110-114.000 72.147 1.00854.56 C ATOM 52816 N3 A B2509 -822.128-113.173 72.498 1.00854.56 N ATOM 52817 C4 A B2509 -821.540-112.648 71.408 1.00854.56 C ATOM 52818 P A B2510 -815.281-113.150 72.407 1.00854.56 P ATOM 52819 O1P A B2510 -813.905-112.837 72.874 1.00854.56 O ATOM 52820 O2P A B2510 -815.551-113.268 70.952 1.00854.56 O ATOM 52821 O5* A B2510 -815.750-114.499 73.116 1.00854.56 O ATOM 52822 C5* A B2510 -816.919-115.196 72.681 1.00854.56 C ATOM 52823 C4* A B2510 -817.178-116.385 73.576 1.00854.56 C ATOM 52824 O4* A B2510 -815.999-117.230 73.576 1.00854.56 O ATOM 52825 C3* A B2510 -817.413-116.062 75.038 1.00854.56 C ATOM 52826 O3* A B2510 -818.780-115.746 75.289 1.00854.56 O ATOM 52827 C2* A B2510 -816.976-117.343 75.738 1.00854.56 C ATOM 52828 O2* A B2510 -817.982-118.337 75.728 1.00854.56 O ATOM 52829 C1* A B2510 -815.804-117.784 74.864 1.00854.56 C ATOM 52830 N9 A B2510 -814.531-117.266 75.358 1.00854.56 N ATOM 52831 C8 A B2510 -813.597-116.578 74.631 1.00854.56 C ATOM 52832 N7 A B2510 -812.560-116.190 75.328 1.00854.56 N ATOM 52833 C5 A B2510 -812.825-116.665 76.602 1.00854.56 C ATOM 52834 C6 A B2510 -812.109-116.572 77.800 1.00854.56 C ATOM 52835 N6 A B2510 -810.942-115.937 77.907 1.00854.56 N ATOM 52836 N1 A B2510 -812.640-117.154 78.901 1.00854.56 N ATOM 52837 C2 A B2510 -813.822-117.777 78.783 1.00854.56 C ATOM 52838 N3 A B2510 -814.597-117.924 77.708 1.00854.56 N ATOM 52839 C4 A B2510 -814.033-117.338 76.636 1.00854.56 C ATOM 52840 P G B2511 -819.145-114.495 76.234 1.00854.56 P ATOM 52841 O1P G B2511 -820.384-113.883 75.692 1.00854.56 O ATOM 52842 O2P G B2511 -817.924-113.664 76.400 1.00854.56 O ATOM 52843 O5* G B2511 -819.495-115.155 77.642 1.00854.56 O ATOM 52844 C5* G B2511 -819.927-116.510 77.738 1.00854.56 C ATOM 52845 C4* G B2511 -819.271-117.184 78.922 1.00854.56 C ATOM 52846 O4* G B2511 -817.848-117.311 78.684 1.00854.56 O ATOM 52847 C3* G B2511 -819.393-116.397 80.227 1.00854.56 C ATOM 52848 O3* G B2511 -820.599-116.667 80.937 1.00854.56 O ATOM 52849 C2* G B2511 -818.156-116.831 81.002 1.00854.56 C ATOM 52850 O2* G B2511 -818.346-118.048 81.696 1.00854.56 O ATOM 52851 C1* G B2511 -817.135-117.039 79.877 1.00854.56 C ATOM 52852 N9 G B2511 -816.281-115.884 79.635 1.00854.56 N ATOM 52853 C8 G B2511 -816.116-115.210 78.450 1.00854.56 C ATOM 52854 N7 G B2511 -815.265-114.226 78.532 1.00854.56 N ATOM 52855 C5 G B2511 -814.842-114.246 79.854 1.00854.56 C ATOM 52856 C6 G B2511 -813.914-113.413 80.535 1.00854.56 C ATOM 52857 O6 G B2511 -813.260-112.462 80.090 1.00854.56 O ATOM 52858 N1 G B2511 -813.786-113.782 81.869 1.00854.56 N ATOM 52859 C2 G B2511 -814.459-114.814 82.470 1.00854.56 C ATOM 52860 N2 G B2511 -814.200-115.006 83.764 1.00854.56 N ATOM 52861 N3 G B2511 -815.322-115.599 81.848 1.00854.56 N ATOM 52862 C4 G B2511 -815.462-115.261 80.551 1.00854.56 C ATOM 52863 P A B2512 -821.414-115.464 81.621 1.00854.56 P ATOM 52864 O1P A B2512 -822.330-116.071 82.622 1.00854.56 O ATOM 52865 O2P A B2512 -821.967-114.601 80.547 1.00854.56 O ATOM 52866 O5* A B2512 -820.300-114.642 82.410 1.00854.56 O ATOM 52867 C5* A B2512 -819.876-115.053 83.705 1.00854.56 C ATOM 52868 C4* A B2512 -819.134-113.930 84.398 1.00854.56 C ATOM 52869 O4* A B2512 -817.830-113.751 83.792 1.00854.56 O ATOM 52870 C3* A B2512 -819.781-112.553 84.331 1.00854.56 C ATOM 52871 O3* A B2512 -820.789-112.371 85.319 1.00854.56 O ATOM 52872 C2* A B2512 -818.594-111.623 84.549 1.00854.56 C ATOM 52873 O2* A B2512 -818.275-111.455 85.916 1.00854.56 O ATOM 52874 C1* A B2512 -817.466-112.382 83.848 1.00854.56 C ATOM 52875 N9 A B2512 -817.246-111.898 82.484 1.00854.56 N ATOM 52876 C8 A B2512 -817.457-112.553 81.296 1.00854.56 C ATOM 52877 N7 A B2512 -817.169-111.829 80.239 1.00854.56 N ATOM 52878 C5 A B2512 -816.738-110.619 80.768 1.00854.56 C ATOM 52879 C6 A B2512 -816.287-109.430 80.169 1.00854.56 C ATOM 52880 N6 A B2512 -816.191-109.254 78.850 1.00854.56 N ATOM 52881 N1 A B2512 -815.927-108.414 80.984 1.00854.56 N ATOM 52882 C2 A B2512 -816.023-108.590 82.308 1.00854.56 C ATOM 52883 N3 A B2512 -816.431-109.658 82.989 1.00854.56 N ATOM 52884 C4 A B2512 -816.779-110.650 82.149 1.00854.56 C ATOM 52885 P A B2513 -822.247-111.866 84.874 1.00854.56 P ATOM 52886 O1P A B2513 -823.035-111.641 86.115 1.00854.56 O ATOM 52887 O2P A B2513 -822.762-112.794 83.836 1.00854.56 O ATOM 52888 O5* A B2513 -821.976-110.454 84.192 1.00854.56 O ATOM 52889 C5* A B2513 -821.708-109.300 84.984 1.00854.56 C ATOM 52890 C4* A B2513 -821.216-108.164 84.121 1.00854.56 C ATOM 52891 O4* A B2513 -819.996-108.552 83.440 1.00854.56 O ATOM 52892 C3* A B2513 -822.173-107.732 83.016 1.00854.56 C ATOM 52893 O3* A B2513 -823.125-106.786 83.486 1.00854.56 O ATOM 52894 C2* A B2513 -821.235-107.139 81.973 1.00854.56 C ATOM 52895 O2* A B2513 -820.880-105.800 82.250 1.00854.56 O ATOM 52896 C1* A B2513 -820.005-108.040 82.116 1.00854.56 C ATOM 52897 N9 A B2513 -820.048-109.164 81.184 1.00854.56 N ATOM 52898 C8 A B2513 -820.213-110.499 81.472 1.00854.56 C ATOM 52899 N7 A B2513 -820.238-111.269 80.410 1.00854.56 N ATOM 52900 C5 A B2513 -820.076-110.380 79.353 1.00854.56 C ATOM 52901 C6 A B2513 -820.019-110.569 77.961 1.00854.56 C ATOM 52902 N6 A B2513 -820.131-111.761 77.368 1.00854.56 N ATOM 52903 N1 A B2513 -819.846-109.475 77.185 1.00854.56 N ATOM 52904 C2 A B2513 -819.741-108.282 77.783 1.00854.56 C ATOM 52905 N3 A B2513 -819.780-107.976 79.076 1.00854.56 N ATOM 52906 C4 A B2513 -819.952-109.085 79.817 1.00854.56 C ATOM 52907 P G B2514 -824.110-106.070 82.435 1.00854.56 P ATOM 52908 O1P G B2514 -825.373-105.744 83.140 1.00854.56 O ATOM 52909 O2P G B2514 -824.144-106.896 81.200 1.00854.56 O ATOM 52910 O5* G B2514 -823.359-104.708 82.086 1.00854.56 O ATOM 52911 C5* G B2514 -823.687-103.967 80.921 1.00854.56 C ATOM 52912 C4* G B2514 -822.580-104.082 79.903 1.00854.56 C ATOM 52913 O4* G B2514 -822.354-105.476 79.574 1.00854.56 O ATOM 52914 C3* G B2514 -822.832-103.390 78.577 1.00854.56 C ATOM 52915 O3* G B2514 -822.434-102.024 78.678 1.00854.56 O ATOM 52916 C2* G B2514 -821.963-104.179 77.604 1.00854.56 C ATOM 52917 O2* G B2514 -820.627-103.721 77.569 1.00854.56 O ATOM 52918 C1* G B2514 -822.004-105.588 78.207 1.00854.56 C ATOM 52919 N9 G B2514 -822.933-106.505 77.548 1.00854.56 N ATOM 52920 C8 G B2514 -824.140-106.965 78.022 1.00854.56 C ATOM 52921 N7 G B2514 -824.730-107.793 77.200 1.00854.56 N ATOM 52922 C5 G B2514 -823.865-107.879 76.115 1.00854.56 C ATOM 52923 C6 G B2514 -823.958-108.628 74.896 1.00854.56 C ATOM 52924 O6 G B2514 -824.856-109.385 74.506 1.00854.56 O ATOM 52925 N1 G B2514 -822.854-108.418 74.084 1.00854.56 N ATOM 52926 C2 G B2514 -821.797-107.602 74.386 1.00854.56 C ATOM 52927 N2 G B2514 -820.831-107.536 73.461 1.00854.56 N ATOM 52928 N3 G B2514 -821.693-106.903 75.501 1.00854.56 N ATOM 52929 C4 G B2514 -822.753-107.089 76.316 1.00854.56 C ATOM 52930 P G B2515 -823.216-100.905 77.837 1.00854.56 P ATOM 52931 O1P G B2515 -822.467 -99.630 77.989 1.00854.56 O ATOM 52932 O2P G B2515 -824.654-100.959 78.198 1.00854.56 O ATOM 52933 O5* G B2515 -823.058-101.394 76.328 1.00854.56 O ATOM 52934 C5* G B2515 -822.070-100.821 75.476 1.00854.56 C ATOM 52935 C4* G B2515 -822.440-101.049 74.034 1.00854.56 C ATOM 52936 O4* G B2515 -822.246-102.446 73.687 1.00854.56 O ATOM 52937 C3* G B2515 -823.871-100.782 73.594 1.00854.56 C ATOM 52938 O3* G B2515 -824.122 -99.395 73.425 1.00854.56 O ATOM 52939 C2* G B2515 -823.987-101.587 72.306 1.00854.56 C ATOM 52940 O2* G B2515 -823.468-100.895 71.186 1.00854.56 O ATOM 52941 C1* G B2515 -823.107-102.800 72.620 1.00854.56 C ATOM 52942 N9 G B2515 -823.881-103.964 73.045 1.00854.56 N ATOM 52943 C8 G B2515 -824.132-104.347 74.341 1.00854.56 C ATOM 52944 N7 G B2515 -824.853-105.433 74.423 1.00854.56 N ATOM 52945 C5 G B2515 -825.092-105.788 73.102 1.00854.56 C ATOM 52946 C6 G B2515 -825.822-106.878 72.564 1.00854.56 C ATOM 52947 O6 G B2515 -826.422-107.778 73.167 1.00854.56 O ATOM 52948 N1 G B2515 -825.816-106.860 71.173 1.00854.56 N ATOM 52949 C2 G B2515 -825.188-105.914 70.400 1.00854.56 C ATOM 52950 N2 G B2515 -825.300-106.074 69.073 1.00854.56 N ATOM 52951 N3 G B2515 -824.505-104.892 70.888 1.00854.56 N ATOM 52952 C4 G B2515 -824.497-104.889 72.239 1.00854.56 C ATOM 52953 P U B2516 -825.546 -98.794 73.863 1.00854.56 P ATOM 52954 O1P U B2516 -825.426 -97.314 73.894 1.00854.56 O ATOM 52955 O2P U B2516 -826.009 -99.520 75.074 1.00854.56 O ATOM 52956 O5* U B2516 -826.497 -99.193 72.651 1.00854.56 O ATOM 52957 C5* U B2516 -826.584 -98.371 71.491 1.00854.56 C ATOM 52958 C4* U B2516 -827.382 -99.065 70.417 1.00854.56 C ATOM 52959 O4* U B2516 -826.854-100.401 70.193 1.00854.56 O ATOM 52960 C3* U B2516 -828.855 -99.284 70.706 1.00854.56 C ATOM 52961 O3* U B2516 -829.616 -98.115 70.445 1.00854.56 O ATOM 52962 C2* U B2516 -829.198-100.457 69.793 1.00854.56 C ATOM 52963 O2* U B2516 -829.438-100.048 68.461 1.00854.56 O ATOM 52964 C1* U B2516 -827.916-101.288 69.864 1.00854.56 C ATOM 52965 N1 U B2516 -827.983-102.319 70.910 1.00854.56 N ATOM 52966 C2 U B2516 -828.679-103.496 70.656 1.00854.56 C ATOM 52967 O2 U B2516 -829.233-103.737 69.598 1.00854.56 O ATOM 52968 N3 U B2516 -828.704-104.387 71.697 1.00854.56 N ATOM 52969 C4 U B2516 -828.130-104.233 72.938 1.00854.56 C ATOM 52970 O4 U B2516 -828.256-105.126 73.778 1.00854.56 O ATOM 52971 C5 U B2516 -827.431-103.000 73.124 1.00854.56 C ATOM 52972 C6 U B2516 -827.380-102.110 72.131 1.00854.56 C ATOM 52973 P C B2517 -831.084 -97.976 71.078 1.00854.56 P ATOM 52974 O1P C B2517 -831.632 -96.657 70.676 1.00854.56 O ATOM 52975 O2P C B2517 -831.002 -98.328 72.520 1.00854.56 O ATOM 52976 O5* C B2517 -831.917 -99.111 70.339 1.00854.56 O ATOM 52977 C5* C B2517 -832.252 -98.974 68.965 1.00854.56 C ATOM 52978 C4* C B2517 -832.783-100.273 68.418 1.00854.56 C ATOM 52979 O4* C B2517 -831.884-101.360 68.772 1.00854.56 O ATOM 52980 C3* C B2517 -834.131-100.759 68.903 1.00854.56 C ATOM 52981 O3* C B2517 -835.178-100.105 68.200 1.00854.56 O ATOM 52982 C2* C B2517 -834.086-102.249 68.588 1.00854.56 C ATOM 52983 O2* C B2517 -834.404-102.533 67.243 1.00854.56 O ATOM 52984 C1* C B2517 -832.615-102.575 68.845 1.00854.56 C ATOM 52985 N1 C B2517 -832.428-103.167 70.178 1.00854.56 N ATOM 52986 C2 C B2517 -832.847-104.482 70.379 1.00854.56 C ATOM 52987 O2 C B2517 -833.339-105.101 69.424 1.00854.56 O ATOM 52988 N3 C B2517 -832.712-105.042 71.603 1.00854.56 N ATOM 52989 C4 C B2517 -832.179-104.337 72.601 1.00854.56 C ATOM 52990 N4 C B2517 -832.072-104.922 73.794 1.00854.56 N ATOM 52991 C5 C B2517 -831.732-102.994 72.423 1.00854.56 C ATOM 52992 C6 C B2517 -831.875-102.454 71.206 1.00854.56 C ATOM 52993 P C B2518 -836.678-100.189 68.770 1.00854.56 P ATOM 52994 O1P C B2518 -837.576 -99.604 67.743 1.00854.56 O ATOM 52995 O2P C B2518 -836.683 -99.633 70.147 1.00854.56 O ATOM 52996 O5* C B2518 -836.967-101.752 68.856 1.00854.56 O ATOM 52997 C5* C B2518 -837.508-102.444 67.737 1.00854.56 C ATOM 52998 C4* C B2518 -838.468-103.528 68.181 1.00854.56 C ATOM 52999 O4* C B2518 -837.750-104.664 68.727 1.00854.56 O ATOM 53000 C3* C B2518 -839.449-103.135 69.255 1.00854.56 C ATOM 53001 O3* C B2518 -840.571-102.480 68.680 1.00854.56 O ATOM 53002 C2* C B2518 -839.851-104.488 69.846 1.00854.56 C ATOM 53003 O2* C B2518 -840.877-105.117 69.107 1.00854.56 O ATOM 53004 C1* C B2518 -838.561-105.293 69.708 1.00854.56 C ATOM 53005 N1 C B2518 -837.819-105.393 70.972 1.00854.56 N ATOM 53006 C2 C B2518 -838.301-106.270 71.950 1.00854.56 C ATOM 53007 O2 C B2518 -839.314-106.939 71.705 1.00854.56 O ATOM 53008 N3 C B2518 -837.650-106.367 73.134 1.00854.56 N ATOM 53009 C4 C B2518 -836.560-105.630 73.358 1.00854.56 C ATOM 53010 N4 C B2518 -835.954-105.758 74.541 1.00854.56 N ATOM 53011 C5 C B2518 -836.045-104.733 72.378 1.00854.56 C ATOM 53012 C6 C B2518 -836.698-104.645 71.210 1.00854.56 C ATOM 53013 P C B2519 -841.455-101.489 69.585 1.00854.56 P ATOM 53014 O1P C B2519 -842.393-100.776 68.681 1.00854.56 O ATOM 53015 O2P C B2519 -840.535-100.711 70.453 1.00854.56 O ATOM 53016 O5* C B2519 -842.301-102.471 70.512 1.00854.56 O ATOM 53017 C5* C B2519 -843.225-103.392 69.946 1.00854.56 C ATOM 53018 C4* C B2519 -843.727-104.356 70.995 1.00854.56 C ATOM 53019 O4* C B2519 -842.655-105.244 71.403 1.00854.56 O ATOM 53020 C3* C B2519 -844.230-103.745 72.297 1.00854.56 C ATOM 53021 O3* C B2519 -845.579-103.308 72.206 1.00854.56 O ATOM 53022 C2* C B2519 -844.081-104.898 73.283 1.00854.56 C ATOM 53023 O2* C B2519 -845.175-105.796 73.225 1.00854.56 O ATOM 53024 C1* C B2519 -842.819-105.595 72.765 1.00854.56 C ATOM 53025 N1 C B2519 -841.611-105.193 73.503 1.00854.56 N ATOM 53026 C2 C B2519 -841.199-105.968 74.596 1.00854.56 C ATOM 53027 O2 C B2519 -841.860-106.967 74.907 1.00854.56 O ATOM 53028 N3 C B2519 -840.098-105.604 75.286 1.00854.56 N ATOM 53029 C4 C B2519 -839.412-104.516 74.927 1.00854.56 C ATOM 53030 N4 C B2519 -838.331-104.195 75.638 1.00854.56 N ATOM 53031 C5 C B2519 -839.809-103.710 73.818 1.00854.56 C ATOM 53032 C6 C B2519 -840.903-104.083 73.139 1.00854.56 C ATOM 53033 P A B2520 -845.957-101.817 72.663 1.00854.56 P ATOM 53034 O1P A B2520 -847.039-101.325 71.775 1.00854.56 O ATOM 53035 O2P A B2520 -844.702-101.033 72.793 1.00854.56 O ATOM 53036 O5* A B2520 -846.564-102.013 74.123 1.00854.56 O ATOM 53037 C5* A B2520 -847.810-102.674 74.322 1.00854.56 C ATOM 53038 C4* A B2520 -847.935-103.099 75.763 1.00854.56 C ATOM 53039 O4* A B2520 -846.888-104.053 76.074 1.00854.56 O ATOM 53040 C3* A B2520 -847.781-102.020 76.818 1.00854.56 C ATOM 53041 O3* A B2520 -849.021-101.350 76.988 1.00854.56 O ATOM 53042 C2* A B2520 -847.351-102.801 78.047 1.00854.56 C ATOM 53043 O2* A B2520 -848.464-103.349 78.721 1.00854.56 O ATOM 53044 C1* A B2520 -846.495-103.911 77.428 1.00854.56 C ATOM 53045 N9 A B2520 -845.065-103.604 77.429 1.00854.56 N ATOM 53046 C8 A B2520 -844.414-102.742 76.577 1.00854.56 C ATOM 53047 N7 A B2520 -843.126-102.654 76.800 1.00854.56 N ATOM 53048 C5 A B2520 -842.912-103.509 77.872 1.00854.56 C ATOM 53049 C6 A B2520 -841.752-103.860 78.581 1.00854.56 C ATOM 53050 N6 A B2520 -840.543-103.365 78.313 1.00854.56 N ATOM 53051 N1 A B2520 -841.882-104.739 79.595 1.00854.56 N ATOM 53052 C2 A B2520 -843.096-105.235 79.864 1.00854.56 C ATOM 53053 N3 A B2520 -844.261-104.985 79.269 1.00854.56 N ATOM 53054 C4 A B2520 -844.099-104.106 78.266 1.00854.56 C ATOM 53055 P A B2521 -849.192-100.280 78.170 1.00854.56 P ATOM 53056 O1P A B2521 -850.111 -99.218 77.688 1.00854.56 O ATOM 53057 O2P A B2521 -847.838 -99.908 78.660 1.00854.56 O ATOM 53058 O5* A B2521 -849.929-101.098 79.322 1.00854.56 O ATOM 53059 C5* A B2521 -849.848-100.680 80.682 1.00854.56 C ATOM 53060 C4* A B2521 -848.931-101.599 81.451 1.00854.56 C ATOM 53061 O4* A B2521 -847.605-101.523 80.895 1.00854.56 O ATOM 53062 C3* A B2521 -848.796-101.328 82.964 1.00854.56 C ATOM 53063 O3* A B2521 -849.770-102.034 83.742 1.00854.56 O ATOM 53064 C2* A B2521 -847.402-101.899 83.255 1.00854.56 C ATOM 53065 O2* A B2521 -847.432-103.275 83.567 1.00854.56 O ATOM 53066 C1* A B2521 -846.664-101.704 81.923 1.00854.56 C ATOM 53067 N9 A B2521 -845.646-100.659 81.822 1.00854.56 N ATOM 53068 C8 A B2521 -845.806 -99.327 81.536 1.00854.56 C ATOM 53069 N7 A B2521 -844.675 -98.668 81.438 1.00854.56 N ATOM 53070 C5 A B2521 -843.707 -99.629 81.693 1.00854.56 C ATOM 53071 C6 A B2521 -842.301 -99.573 81.737 1.00854.56 C ATOM 53072 N6 A B2521 -841.595 -98.465 81.499 1.00854.56 N ATOM 53073 N1 A B2521 -841.638-100.711 82.033 1.00854.56 N ATOM 53074 C2 A B2521 -842.345-101.822 82.262 1.00854.56 C ATOM 53075 N3 A B2521 -843.662-102.003 82.245 1.00854.56 N ATOM 53076 C4 A B2521 -844.293-100.853 81.951 1.00854.56 C ATOM 53077 P G B2522 -850.296-101.440 85.144 1.00854.56 P ATOM 53078 O1P G B2522 -851.761-101.223 85.043 1.00854.56 O ATOM 53079 O2P G B2522 -849.416-100.312 85.545 1.00854.56 O ATOM 53080 O5* G B2522 -850.064-102.642 86.168 1.00854.56 O ATOM 53081 C5* G B2522 -849.424-103.840 85.736 1.00854.56 C ATOM 53082 C4* G B2522 -848.424-104.329 86.762 1.00854.56 C ATOM 53083 O4* G B2522 -847.678-105.421 86.160 1.00854.56 O ATOM 53084 C3* G B2522 -847.288-103.390 87.060 1.00854.56 C ATOM 53085 O3* G B2522 -847.749-102.473 88.050 1.00854.56 O ATOM 53086 C2* G B2522 -846.146-104.270 87.550 1.00854.56 C ATOM 53087 O2* G B2522 -846.178-104.503 88.944 1.00854.56 O ATOM 53088 C1* G B2522 -846.433-105.578 86.812 1.00854.56 C ATOM 53089 N9 G B2522 -845.447-105.853 85.772 1.00854.56 N ATOM 53090 C8 G B2522 -845.496-105.403 84.474 1.00854.56 C ATOM 53091 N7 G B2522 -844.471-105.783 83.763 1.00854.56 N ATOM 53092 C5 G B2522 -843.704-106.535 84.641 1.00854.56 C ATOM 53093 C6 G B2522 -842.473-107.207 84.429 1.00854.56 C ATOM 53094 O6 G B2522 -841.798-107.271 83.396 1.00854.56 O ATOM 53095 N1 G B2522 -842.042-107.851 85.584 1.00854.56 N ATOM 53096 C2 G B2522 -842.707-107.846 86.787 1.00854.56 C ATOM 53097 N2 G B2522 -842.123-108.525 87.786 1.00854.56 N ATOM 53098 N3 G B2522 -843.856-107.223 86.996 1.00854.56 N ATOM 53099 C4 G B2522 -844.294-106.593 85.884 1.00854.56 C ATOM 53100 P G B2523 -847.325-100.925 87.975 1.00854.56 P ATOM 53101 O1P G B2523 -848.561-100.120 88.130 1.00854.56 O ATOM 53102 O2P G B2523 -846.475-100.741 86.771 1.00854.56 O ATOM 53103 O5* G B2523 -846.421-100.698 89.266 1.00854.56 O ATOM 53104 C5* G B2523 -846.668-101.409 90.477 1.00854.56 C ATOM 53105 C4* G B2523 -845.363-101.851 91.094 1.00854.56 C ATOM 53106 O4* G B2523 -844.724-102.800 90.198 1.00854.56 O ATOM 53107 C3* G B2523 -844.341-100.737 91.272 1.00854.56 C ATOM 53108 O3* G B2523 -844.524-100.058 92.510 1.00854.56 O ATOM 53109 C2* G B2523 -843.014-101.484 91.204 1.00854.56 C ATOM 53110 O2* G B2523 -842.656-102.070 92.437 1.00854.56 O ATOM 53111 C1* G B2523 -843.329-102.583 90.184 1.00854.56 C ATOM 53112 N9 G B2523 -842.949-102.219 88.822 1.00854.56 N ATOM 53113 C8 G B2523 -843.745-101.601 87.889 1.00854.56 C ATOM 53114 N7 G B2523 -843.137-101.394 86.753 1.00854.56 N ATOM 53115 C5 G B2523 -841.861-101.908 86.946 1.00854.56 C ATOM 53116 C6 G B2523 -840.752-101.968 86.064 1.00854.56 C ATOM 53117 O6 G B2523 -840.671-101.568 84.895 1.00854.56 O ATOM 53118 N1 G B2523 -839.651-102.570 86.668 1.00854.56 N ATOM 53119 C2 G B2523 -839.623-103.054 87.953 1.00854.56 C ATOM 53120 N2 G B2523 -838.464-103.597 88.352 1.00854.56 N ATOM 53121 N3 G B2523 -840.651-103.004 88.786 1.00854.56 N ATOM 53122 C4 G B2523 -841.731-102.422 88.220 1.00854.56 C ATOM 53123 P G B2524 -844.508 -98.451 92.549 1.00854.56 P ATOM 53124 O1P G B2524 -845.449 -98.023 93.616 1.00854.56 O ATOM 53125 O2P G B2524 -844.695 -97.954 91.162 1.00854.56 O ATOM 53126 O5* G B2524 -843.028 -98.082 93.014 1.00854.56 O ATOM 53127 C5* G B2524 -842.337 -98.886 93.966 1.00854.56 C ATOM 53128 C4* G B2524 -840.904 -99.108 93.535 1.00854.56 C ATOM 53129 O4* G B2524 -840.892 -99.835 92.280 1.00854.56 O ATOM 53130 C3* G B2524 -840.148 -97.820 93.263 1.00854.56 C ATOM 53131 O3* G B2524 -839.513 -97.377 94.458 1.00854.56 O ATOM 53132 C2* G B2524 -839.129 -98.234 92.209 1.00854.56 C ATOM 53133 O2* G B2524 -837.968 -98.808 92.775 1.00854.56 O ATOM 53134 C1* G B2524 -839.896 -99.299 91.425 1.00854.56 C ATOM 53135 N9 G B2524 -840.554 -98.764 90.237 1.00854.56 N ATOM 53136 C8 G B2524 -841.881 -98.430 90.103 1.00854.56 C ATOM 53137 N7 G B2524 -842.176 -97.973 88.916 1.00854.56 N ATOM 53138 C5 G B2524 -840.974 -98.007 88.225 1.00854.56 C ATOM 53139 C6 G B2524 -840.670 -97.626 86.889 1.00854.56 C ATOM 53140 O6 G B2524 -841.423 -97.171 86.026 1.00854.56 O ATOM 53141 N1 G B2524 -839.323 -97.821 86.598 1.00854.56 N ATOM 53142 C2 G B2524 -838.389 -98.316 87.469 1.00854.56 C ATOM 53143 N2 G B2524 -837.138 -98.428 86.993 1.00854.56 N ATOM 53144 N3 G B2524 -838.656 -98.675 88.718 1.00854.56 N ATOM 53145 C4 G B2524 -839.960 -98.495 89.024 1.00854.56 C ATOM 53146 P U B2525 -839.176 -95.919 94.794 1.00855.43 P ATOM 53147 O1P U B2525 -839.345 -96.085 96.258 1.00855.43 O ATOM 53148 O2P U B2525 -840.276 -95.328 93.990 1.00855.43 O ATOM 53149 O5* U B2525 -837.858 -95.060 94.543 1.00855.43 O ATOM 53150 C5* U B2525 -836.572 -95.553 94.914 1.00855.43 C ATOM 53151 C4* U B2525 -835.597 -95.351 93.777 1.00855.43 C ATOM 53152 O4* U B2525 -836.071 -96.063 92.608 1.00855.43 O ATOM 53153 C3* U B2525 -835.430 -93.918 93.321 1.00855.43 C ATOM 53154 O3* U B2525 -834.410 -93.310 94.098 1.00855.43 O ATOM 53155 C2* U B2525 -835.018 -94.058 91.861 1.00855.43 C ATOM 53156 O2* U B2525 -833.630 -94.245 91.705 1.00855.43 O ATOM 53157 C1* U B2525 -835.766 -95.328 91.440 1.00855.43 C ATOM 53158 N1 U B2525 -837.029 -95.065 90.737 1.00855.43 N ATOM 53159 C2 U B2525 -837.037 -95.147 89.358 1.00855.43 C ATOM 53160 O2 U B2525 -836.045 -95.421 88.704 1.00855.43 O ATOM 53161 N3 U B2525 -838.253 -94.898 88.772 1.00855.43 N ATOM 53162 C4 U B2525 -839.436 -94.579 89.414 1.00855.43 C ATOM 53163 O4 U B2525 -840.452 -94.387 88.749 1.00855.43 O ATOM 53164 C5 U B2525 -839.339 -94.507 90.838 1.00855.43 C ATOM 53165 C6 U B2525 -838.170 -94.745 91.435 1.00855.43 C ATOM 53166 P U B2526 -834.309 -91.710 94.173 1.00855.43 P ATOM 53167 O1P U B2526 -835.694 -91.167 94.198 1.00855.43 O ATOM 53168 O2P U B2526 -833.359 -91.249 93.130 1.00855.43 O ATOM 53169 O5* U B2526 -833.652 -91.452 95.597 1.00855.43 O ATOM 53170 C5* U B2526 -834.316 -91.864 96.784 1.00855.43 C ATOM 53171 C4* U B2526 -833.321 -92.036 97.907 1.00855.43 C ATOM 53172 O4* U B2526 -832.243 -92.909 97.485 1.00855.43 O ATOM 53173 C3* U B2526 -832.598 -90.807 98.406 1.00855.43 C ATOM 53174 O3* U B2526 -833.430 -90.068 99.283 1.00855.43 O ATOM 53175 C2* U B2526 -831.377 -91.393 99.098 1.00855.43 C ATOM 53176 O2* U B2526 -831.660 -91.846 100.408 1.00855.43 O ATOM 53177 C1* U B2526 -831.058 -92.583 98.192 1.00855.43 C ATOM 53178 N1 U B2526 -830.011 -92.231 97.219 1.00855.43 N ATOM 53179 C2 U B2526 -828.700 -92.425 97.593 1.00855.43 C ATOM 53180 O2 U B2526 -828.386 -92.879 98.668 1.00855.43 O ATOM 53181 N3 U B2526 -827.764 -92.056 96.660 1.00855.43 N ATOM 53182 C4 U B2526 -828.002 -91.518 95.415 1.00855.43 C ATOM 53183 O4 U B2526 -827.050 -91.220 94.690 1.00855.43 O ATOM 53184 C5 U B2526 -829.391 -91.354 95.093 1.00855.43 C ATOM 53185 C6 U B2526 -830.323 -91.710 95.985 1.00855.43 C ATOM 53186 P G B2527 -833.117 -88.513 99.528 1.00855.43 P ATOM 53187 O1P G B2527 -834.256 -87.923 100.276 1.00855.43 O ATOM 53188 O2P G B2527 -832.699 -87.918 98.231 1.00855.43 O ATOM 53189 O5* G B2527 -831.843 -88.548 100.484 1.00855.43 O ATOM 53190 C5* G B2527 -831.895 -89.242 101.725 1.00855.43 C ATOM 53191 C4* G B2527 -830.500 -89.467 102.259 1.00855.43 C ATOM 53192 O4* G B2527 -829.712 -90.242 101.313 1.00855.43 O ATOM 53193 C3* G B2527 -829.685 -88.215 102.466 1.00855.43 C ATOM 53194 O3* G B2527 -830.035 -87.602 103.699 1.00855.43 O ATOM 53195 C2* G B2527 -828.253 -88.729 102.434 1.00855.43 C ATOM 53196 O2* G B2527 -827.838 -89.266 103.678 1.00855.43 O ATOM 53197 C1* G B2527 -828.350 -89.844 101.393 1.00855.43 C ATOM 53198 N9 G B2527 -827.926 -89.374 100.076 1.00855.43 N ATOM 53199 C8 G B2527 -828.709 -89.216 98.957 1.00855.43 C ATOM 53200 N7 G B2527 -828.050 -88.750 97.934 1.00855.43 N ATOM 53201 C5 G B2527 -826.752 -88.590 98.398 1.00855.43 C ATOM 53202 C6 G B2527 -825.585 -88.110 97.739 1.00855.43 C ATOM 53203 O6 G B2527 -825.461 -87.715 96.572 1.00855.43 O ATOM 53204 N1 G B2527 -824.481 -88.115 98.588 1.00855.43 N ATOM 53205 C2 G B2527 -824.493 -88.525 99.899 1.00855.43 C ATOM 53206 N2 G B2527 -823.323 -88.453 100.549 1.00855.43 N ATOM 53207 N3 G B2527 -825.574 -88.971 100.523 1.00855.43 N ATOM 53208 C4 G B2527 -826.657 -88.977 99.720 1.00855.43 C ATOM 53209 P G B2528 -829.697 -86.050 103.912 1.00855.43 P ATOM 53210 O1P G B2528 -829.871 -85.713 105.343 1.00855.43 O ATOM 53211 O2P G B2528 -830.449 -85.281 102.885 1.00855.43 O ATOM 53212 O5* G B2528 -828.154 -85.982 103.535 1.00855.43 O ATOM 53213 C5* G B2528 -827.473 -84.744 103.363 1.00855.43 C ATOM 53214 C4* G B2528 -825.981 -84.962 103.436 1.00855.43 C ATOM 53215 O4* G B2528 -825.575 -85.910 102.417 1.00855.43 O ATOM 53216 C3* G B2528 -825.166 -83.706 103.167 1.00855.43 C ATOM 53217 O3* G B2528 -824.969 -82.915 104.328 1.00855.43 O ATOM 53218 C2* G B2528 -823.869 -84.257 102.590 1.00855.43 C ATOM 53219 O2* G B2528 -822.960 -84.667 103.591 1.00855.43 O ATOM 53220 C1* G B2528 -824.367 -85.480 101.813 1.00855.43 C ATOM 53221 N9 G B2528 -824.665 -85.196 100.411 1.00855.43 N ATOM 53222 C8 G B2528 -825.904 -85.240 99.821 1.00855.43 C ATOM 53223 N7 G B2528 -825.877 -84.928 98.556 1.00855.43 N ATOM 53224 C5 G B2528 -824.541 -84.662 98.293 1.00855.43 C ATOM 53225 C6 G B2528 -823.905 -84.270 97.091 1.00855.43 C ATOM 53226 O6 G B2528 -824.413 -84.073 95.982 1.00855.43 O ATOM 53227 N1 G B2528 -822.535 -84.108 97.267 1.00855.43 N ATOM 53228 C2 G B2528 -821.864 -84.299 98.448 1.00855.43 C ATOM 53229 N2 G B2528 -820.539 -84.091 98.411 1.00855.43 N ATOM 53230 N3 G B2528 -822.444 -84.664 99.578 1.00855.43 N ATOM 53231 C4 G B2528 -823.777 -84.827 99.428 1.00855.43 C ATOM 53232 P G B2529 -824.969 -81.312 104.205 1.00855.43 P ATOM 53233 O1P G B2529 -824.208 -80.765 105.356 1.00855.43 O ATOM 53234 O2P G B2529 -826.363 -80.867 103.968 1.00855.43 O ATOM 53235 O5* G B2529 -824.130 -81.037 102.878 1.00855.43 O ATOM 53236 C5* G B2529 -822.705 -81.066 102.894 1.00855.43 C ATOM 53237 C4* G B2529 -822.159 -80.116 101.857 1.00855.43 C ATOM 53238 O4* G B2529 -822.054 -80.796 100.581 1.00855.43 O ATOM 53239 C3* G B2529 -823.055 -78.948 101.512 1.00855.43 C ATOM 53240 O3* G B2529 -822.941 -77.921 102.488 1.00855.43 O ATOM 53241 C2* G B2529 -822.576 -78.518 100.131 1.00855.43 C ATOM 53242 O2* G B2529 -821.473 -77.636 100.188 1.00855.43 O ATOM 53243 C1* G B2529 -822.144 -79.853 99.527 1.00855.43 C ATOM 53244 N9 G B2529 -823.109 -80.367 98.560 1.00855.43 N ATOM 53245 C8 G B2529 -824.327 -80.936 98.839 1.00855.43 C ATOM 53246 N7 G B2529 -824.980 -81.296 97.770 1.00855.43 N ATOM 53247 C5 G B2529 -824.142 -80.948 96.721 1.00855.43 C ATOM 53248 C6 G B2529 -824.315 -81.100 95.321 1.00855.43 C ATOM 53249 O6 G B2529 -825.270 -81.589 94.708 1.00855.43 O ATOM 53250 N1 G B2529 -823.218 -80.606 94.617 1.00855.43 N ATOM 53251 C2 G B2529 -822.103 -80.044 95.184 1.00855.43 C ATOM 53252 N2 G B2529 -821.155 -79.627 94.336 1.00855.43 N ATOM 53253 N3 G B2529 -821.931 -79.897 96.489 1.00855.43 N ATOM 53254 C4 G B2529 -822.981 -80.370 97.191 1.00855.43 C ATOM 53255 P C B2530 -824.212 -76.985 102.797 1.00855.43 P ATOM 53256 O1P C B2530 -823.885 -76.170 103.994 1.00855.43 O ATOM 53257 O2P C B2530 -825.432 -77.834 102.796 1.00855.43 O ATOM 53258 O5* C B2530 -824.279 -76.014 101.536 1.00855.43 O ATOM 53259 C5* C B2530 -823.192 -75.145 101.237 1.00855.43 C ATOM 53260 C4* C B2530 -823.438 -74.426 99.933 1.00855.43 C ATOM 53261 O4* C B2530 -823.236 -75.323 98.815 1.00855.43 O ATOM 53262 C3* C B2530 -824.833 -73.869 99.716 1.00855.43 C ATOM 53263 O3* C B2530 -824.971 -72.619 100.376 1.00855.43 O ATOM 53264 C2* C B2530 -824.918 -73.746 98.197 1.00855.43 C ATOM 53265 O2* C B2530 -824.371 -72.533 97.719 1.00855.43 O ATOM 53266 C1* C B2530 -824.046 -74.914 97.728 1.00855.43 C ATOM 53267 N1 C B2530 -824.803 -76.081 97.249 1.00855.43 N ATOM 53268 C2 C B2530 -825.107 -76.171 95.887 1.00855.43 C ATOM 53269 O2 C B2530 -824.741 -75.264 95.124 1.00855.43 O ATOM 53270 N3 C B2530 -825.794 -77.244 95.430 1.00855.43 N ATOM 53271 C4 C B2530 -826.174 -78.202 96.277 1.00855.43 C ATOM 53272 N4 C B2530 -826.849 -79.245 95.783 1.00855.43 N ATOM 53273 C5 C B2530 -825.880 -78.132 97.672 1.00855.43 C ATOM 53274 C6 C B2530 -825.199 -77.065 98.110 1.00855.43 C ATOM 53275 P U B2531 -826.394 -72.197 100.992 1.00855.43 P ATOM 53276 O1P U B2531 -826.149 -71.101 101.964 1.00855.43 O ATOM 53277 O2P U B2531 -827.098 -73.428 101.434 1.00855.43 O ATOM 53278 O5* U B2531 -827.174 -71.591 99.745 1.00855.43 O ATOM 53279 C5* U B2531 -826.572 -70.590 98.931 1.00855.43 C ATOM 53280 C4* U B2531 -827.202 -70.581 97.558 1.00855.43 C ATOM 53281 O4* U B2531 -826.815 -71.772 96.829 1.00855.43 O ATOM 53282 C3* U B2531 -828.722 -70.597 97.609 1.00855.43 C ATOM 53283 O3* U B2531 -829.241 -69.275 97.668 1.00855.43 O ATOM 53284 C2* U B2531 -829.099 -71.297 96.304 1.00855.43 C ATOM 53285 O2* U B2531 -829.151 -70.405 95.208 1.00855.43 O ATOM 53286 C1* U B2531 -827.928 -72.267 96.107 1.00855.43 C ATOM 53287 N1 U B2531 -828.201 -73.644 96.542 1.00855.43 N ATOM 53288 C2 U B2531 -828.272 -74.619 95.563 1.00855.43 C ATOM 53289 O2 U B2531 -828.107 -74.376 94.379 1.00855.43 O ATOM 53290 N3 U B2531 -828.540 -75.883 96.021 1.00855.43 N ATOM 53291 C4 U B2531 -828.736 -76.267 97.330 1.00855.43 C ATOM 53292 O4 U B2531 -828.972 -77.449 97.585 1.00855.43 O ATOM 53293 C5 U B2531 -828.642 -75.204 98.285 1.00855.43 C ATOM 53294 C6 U B2531 -828.385 -73.960 97.869 1.00855.43 C ATOM 53295 P G B2532 -830.000 -68.775 98.994 1.00855.43 P ATOM 53296 O1P G B2532 -829.708 -67.326 99.149 1.00855.43 O ATOM 53297 O2P G B2532 -829.682 -69.711 100.099 1.00855.43 O ATOM 53298 O5* G B2532 -831.543 -68.928 98.631 1.00855.43 O ATOM 53299 C5* G B2532 -832.333 -69.949 99.229 1.00855.43 C ATOM 53300 C4* G B2532 -833.416 -70.390 98.277 1.00855.43 C ATOM 53301 O4* G B2532 -833.824 -69.273 97.448 1.00855.43 O ATOM 53302 C3* G B2532 -832.988 -71.479 97.304 1.00855.43 C ATOM 53303 O3* G B2532 -833.173 -72.770 97.875 1.00855.43 O ATOM 53304 C2* G B2532 -833.905 -71.247 96.109 1.00855.43 C ATOM 53305 O2* G B2532 -835.168 -71.861 96.263 1.00855.43 O ATOM 53306 C1* G B2532 -834.068 -69.724 96.128 1.00855.43 C ATOM 53307 N9 G B2532 -833.151 -69.040 95.224 1.00855.43 N ATOM 53308 C8 G B2532 -831.848 -68.666 95.467 1.00855.43 C ATOM 53309 N7 G B2532 -831.288 -68.072 94.449 1.00855.43 N ATOM 53310 C5 G B2532 -832.279 -68.048 93.476 1.00855.43 C ATOM 53311 C6 G B2532 -832.267 -67.530 92.150 1.00855.43 C ATOM 53312 O6 G B2532 -831.348 -66.965 91.548 1.00855.43 O ATOM 53313 N1 G B2532 -833.486 -67.730 91.515 1.00855.43 N ATOM 53314 C2 G B2532 -834.579 -68.341 92.073 1.00855.43 C ATOM 53315 N2 G B2532 -835.666 -68.442 91.291 1.00855.43 N ATOM 53316 N3 G B2532 -834.608 -68.820 93.302 1.00855.43 N ATOM 53317 C4 G B2532 -833.435 -68.644 93.942 1.00855.43 C ATOM 53318 P U B2533 -831.893 -73.693 98.183 1.00855.43 P ATOM 53319 O1P U B2533 -832.389 -75.023 98.621 1.00855.43 O ATOM 53320 O2P U B2533 -830.970 -72.930 99.062 1.00855.43 O ATOM 53321 O5* U B2533 -831.195 -73.870 96.764 1.00855.43 O ATOM 53322 C5* U B2533 -831.632 -74.874 95.852 1.00855.43 C ATOM 53323 C4* U B2533 -832.584 -74.275 94.853 1.00855.43 C ATOM 53324 O4* U B2533 -832.107 -72.955 94.499 1.00855.43 O ATOM 53325 C3* U B2533 -832.737 -75.023 93.530 1.00855.43 C ATOM 53326 O3* U B2533 -833.703 -76.077 93.569 1.00855.43 O ATOM 53327 C2* U B2533 -833.150 -73.910 92.571 1.00855.43 C ATOM 53328 O2* U B2533 -834.545 -73.666 92.587 1.00855.43 O ATOM 53329 C1* U B2533 -832.411 -72.695 93.149 1.00855.43 C ATOM 53330 N1 U B2533 -831.177 -72.314 92.449 1.00855.43 N ATOM 53331 C2 U B2533 -831.250 -71.201 91.670 1.00855.43 C ATOM 53332 O2 U B2533 -832.269 -70.582 91.558 1.00855.43 O ATOM 53333 N3 U B2533 -830.088 -70.846 91.033 1.00855.43 N ATOM 53334 C4 U B2533 -828.877 -71.498 91.093 1.00855.43 C ATOM 53335 O4 U B2533 -827.920 -71.058 90.452 1.00855.43 O ATOM 53336 C5 U B2533 -828.876 -72.660 91.927 1.00855.43 C ATOM 53337 C6 U B2533 -830.002 -73.022 92.564 1.00855.43 C ATOM 53338 P U B2534 -833.510 -76.824 92.145 1.00853.09 P ATOM 53339 O1P U B2534 -834.395 -77.863 92.733 1.00853.09 O ATOM 53340 O2P U B2534 -832.044 -77.052 92.103 1.00853.09 O ATOM 53341 O5* U B2534 -834.014 -76.513 90.664 1.00853.09 O ATOM 53342 C5* U B2534 -835.291 -76.957 90.191 1.00853.09 C ATOM 53343 C4* U B2534 -835.371 -76.810 88.682 1.00853.09 C ATOM 53344 O4* U B2534 -835.292 -75.404 88.336 1.00853.09 O ATOM 53345 C3* U B2534 -834.243 -77.416 87.908 1.00853.09 C ATOM 53346 O3* U B2534 -834.436 -78.819 87.774 1.00853.09 O ATOM 53347 C2* U B2534 -834.330 -76.662 86.588 1.00853.09 C ATOM 53348 O2* U B2534 -835.354 -77.134 85.739 1.00853.09 O ATOM 53349 C1* U B2534 -834.660 -75.253 87.081 1.00853.09 C ATOM 53350 N1 U B2534 -833.455 -74.460 87.336 1.00853.09 N ATOM 53351 C2 U B2534 -832.825 -73.893 86.270 1.00853.09 C ATOM 53352 O2 U B2534 -833.146 -74.123 85.127 1.00853.09 O ATOM 53353 N3 U B2534 -831.772 -73.077 86.605 1.00853.09 N ATOM 53354 C4 U B2534 -831.286 -72.822 87.885 1.00853.09 C ATOM 53355 O4 U B2534 -830.243 -72.188 88.027 1.00853.09 O ATOM 53356 C5 U B2534 -831.982 -73.485 88.913 1.00853.09 C ATOM 53357 C6 U B2534 -833.006 -74.260 88.617 1.00853.09 C ATOM 53358 P C B2535 -833.267 -79.824 88.225 1.00853.09 P ATOM 53359 O1P C B2535 -833.723 -81.198 87.901 1.00853.09 O ATOM 53360 O2P C B2535 -832.877 -79.489 89.618 1.00853.09 O ATOM 53361 O5* C B2535 -832.048 -79.462 87.261 1.00853.09 O ATOM 53362 C5* C B2535 -832.239 -79.405 85.853 1.00853.09 C ATOM 53363 C4* C B2535 -831.186 -78.535 85.199 1.00853.09 C ATOM 53364 O4* C B2535 -831.328 -77.160 85.649 1.00853.09 O ATOM 53365 C3* C B2535 -829.773 -78.926 85.549 1.00853.09 C ATOM 53366 O3* C B2535 -829.311 -79.906 84.626 1.00853.09 O ATOM 53367 C2* C B2535 -829.007 -77.618 85.383 1.00853.09 C ATOM 53368 O2* C B2535 -828.637 -77.370 84.042 1.00853.09 O ATOM 53369 C1* C B2535 -830.043 -76.589 85.834 1.00853.09 C ATOM 53370 N1 C B2535 -829.854 -76.253 87.253 1.00853.09 N ATOM 53371 C2 C B2535 -828.866 -75.325 87.598 1.00853.09 C ATOM 53372 O2 C B2535 -828.214 -74.780 86.690 1.00853.09 O ATOM 53373 N3 C B2535 -828.643 -75.046 88.902 1.00853.09 N ATOM 53374 C4 C B2535 -829.367 -75.653 89.843 1.00853.09 C ATOM 53375 N4 C B2535 -829.104 -75.357 91.117 1.00853.09 N ATOM 53376 C5 C B2535 -830.391 -76.591 89.523 1.00853.09 C ATOM 53377 C6 C B2535 -830.602 -76.854 88.226 1.00853.09 C ATOM 53378 P G B2536 -828.535 -81.203 85.173 1.00853.09 P ATOM 53379 O1P G B2536 -828.510 -82.209 84.081 1.00853.09 O ATOM 53380 O2P G B2536 -829.113 -81.570 86.495 1.00853.09 O ATOM 53381 O5* G B2536 -827.041 -80.699 85.410 1.00853.09 O ATOM 53382 C5* G B2536 -826.369 -79.920 84.426 1.00853.09 C ATOM 53383 C4* G B2536 -825.293 -79.071 85.070 1.00853.09 C ATOM 53384 O4* G B2536 -825.900 -78.018 85.867 1.00853.09 O ATOM 53385 C3* G B2536 -824.425 -79.848 86.049 1.00853.09 C ATOM 53386 O3* G B2536 -823.352 -80.515 85.399 1.00853.09 O ATOM 53387 C2* G B2536 -823.945 -78.764 87.007 1.00853.09 C ATOM 53388 O2* G B2536 -822.827 -78.052 86.509 1.00853.09 O ATOM 53389 C1* G B2536 -825.158 -77.835 87.059 1.00853.09 C ATOM 53390 N9 G B2536 -826.034 -78.114 88.194 1.00853.09 N ATOM 53391 C8 G B2536 -827.185 -78.866 88.187 1.00853.09 C ATOM 53392 N7 G B2536 -827.758 -78.938 89.356 1.00853.09 N ATOM 53393 C5 G B2536 -826.939 -78.186 90.189 1.00853.09 C ATOM 53394 C6 G B2536 -827.046 -77.901 91.578 1.00853.09 C ATOM 53395 O6 G B2536 -827.919 -78.262 92.377 1.00853.09 O ATOM 53396 N1 G B2536 -825.992 -77.106 92.019 1.00853.09 N ATOM 53397 C2 G B2536 -824.966 -76.644 91.231 1.00853.09 C ATOM 53398 N2 G B2536 -824.043 -75.892 91.845 1.00853.09 N ATOM 53399 N3 G B2536 -824.854 -76.901 89.937 1.00853.09 N ATOM 53400 C4 G B2536 -825.868 -77.673 89.487 1.00853.09 C ATOM 53401 P C B2537 -823.380 -82.116 85.263 1.00853.09 P ATOM 53402 O1P C B2537 -823.417 -82.437 83.815 1.00853.09 O ATOM 53403 O2P C B2537 -824.442 -82.644 86.160 1.00853.09 O ATOM 53404 O5* C B2537 -821.966 -82.576 85.839 1.00853.09 O ATOM 53405 C5* C B2537 -820.764 -81.998 85.346 1.00853.09 C ATOM 53406 C4* C B2537 -819.977 -81.378 86.473 1.00853.09 C ATOM 53407 O4* C B2537 -820.759 -80.322 87.093 1.00853.09 O ATOM 53408 C3* C B2537 -819.634 -82.321 87.617 1.00853.09 C ATOM 53409 O3* C B2537 -818.465 -83.086 87.370 1.00853.09 O ATOM 53410 C2* C B2537 -819.458 -81.369 88.793 1.00853.09 C ATOM 53411 O2* C B2537 -818.174 -80.780 88.829 1.00853.09 O ATOM 53412 C1* C B2537 -820.504 -80.295 88.486 1.00853.09 C ATOM 53413 N1 C B2537 -821.769 -80.544 89.197 1.00853.09 N ATOM 53414 C2 C B2537 -822.009 -79.867 90.394 1.00853.09 C ATOM 53415 O2 C B2537 -821.164 -79.055 90.804 1.00853.09 O ATOM 53416 N3 C B2537 -823.152 -80.112 91.075 1.00853.09 N ATOM 53417 C4 C B2537 -824.039 -80.987 90.594 1.00853.09 C ATOM 53418 N4 C B2537 -825.149 -81.207 91.307 1.00853.09 N ATOM 53419 C5 C B2537 -823.826 -81.680 89.367 1.00853.09 C ATOM 53420 C6 C B2537 -822.688 -81.428 88.706 1.00853.09 C ATOM 53421 P C B2538 -818.192 -84.412 88.234 1.00853.09 P ATOM 53422 O1P C B2538 -816.980 -85.066 87.680 1.00853.09 O ATOM 53423 O2P C B2538 -819.461 -85.179 88.328 1.00853.09 O ATOM 53424 O5* C B2538 -817.836 -83.853 89.683 1.00853.09 O ATOM 53425 C5* C B2538 -816.651 -83.097 89.895 1.00853.09 C ATOM 53426 C4* C B2538 -816.452 -82.836 91.368 1.00853.09 C ATOM 53427 O4* C B2538 -817.408 -81.842 91.824 1.00853.09 O ATOM 53428 C3* C B2538 -816.724 -84.052 92.231 1.00853.09 C ATOM 53429 O3* C B2538 -815.619 -84.938 92.351 1.00853.09 O ATOM 53430 C2* C B2538 -817.109 -83.433 93.569 1.00853.09 C ATOM 53431 O2* C B2538 -815.982 -83.049 94.331 1.00853.09 O ATOM 53432 C1* C B2538 -817.866 -82.182 93.122 1.00853.09 C ATOM 53433 N1 C B2538 -819.317 -82.419 93.056 1.00853.09 N ATOM 53434 C2 C B2538 -820.056 -82.412 94.243 1.00853.09 C ATOM 53435 O2 C B2538 -819.471 -82.194 95.315 1.00853.09 O ATOM 53436 N3 C B2538 -821.389 -82.644 94.191 1.00853.09 N ATOM 53437 C4 C B2538 -821.979 -82.878 93.019 1.00853.09 C ATOM 53438 N4 C B2538 -823.295 -83.106 93.012 1.00853.09 N ATOM 53439 C5 C B2538 -821.248 -82.884 91.793 1.00853.09 C ATOM 53440 C6 C B2538 -819.934 -82.650 91.859 1.00853.09 C ATOM 53441 P C B2539 -815.882 -86.484 92.696 1.00853.09 P ATOM 53442 O1P C B2539 -814.561 -87.168 92.720 1.00853.09 O ATOM 53443 O2P C B2539 -816.950 -86.990 91.801 1.00853.09 O ATOM 53444 O5* C B2539 -816.450 -86.445 94.182 1.00853.09 O ATOM 53445 C5* C B2539 -815.566 -86.498 95.295 1.00853.09 C ATOM 53446 C4* C B2539 -816.166 -87.324 96.409 1.00853.09 C ATOM 53447 O4* C B2539 -817.220 -86.589 97.080 1.00853.09 O ATOM 53448 C3* C B2539 -816.829 -88.594 95.915 1.00853.09 C ATOM 53449 O3* C B2539 -815.890 -89.644 95.748 1.00853.09 O ATOM 53450 C2* C B2539 -817.845 -88.884 97.010 1.00853.09 C ATOM 53451 O2* C B2539 -817.275 -89.546 98.122 1.00853.09 O ATOM 53452 C1* C B2539 -818.277 -87.474 97.419 1.00853.09 C ATOM 53453 N1 C B2539 -819.499 -87.049 96.717 1.00853.09 N ATOM 53454 C2 C B2539 -820.736 -87.302 97.317 1.00853.09 C ATOM 53455 O2 C B2539 -820.763 -87.851 98.427 1.00853.09 O ATOM 53456 N3 C B2539 -821.872 -86.947 96.674 1.00853.09 N ATOM 53457 C4 C B2539 -821.801 -86.355 95.478 1.00853.09 C ATOM 53458 N4 C B2539 -822.947 -86.032 94.872 1.00853.09 N ATOM 53459 C5 C B2539 -820.552 -86.072 94.847 1.00853.09 C ATOM 53460 C6 C B2539 -819.436 -86.431 95.496 1.00853.09 C ATOM 53461 P A B2540 -816.190 -90.798 94.673 1.00853.09 P ATOM 53462 O1P A B2540 -814.895 -91.427 94.307 1.00853.09 O ATOM 53463 O2P A B2540 -817.054 -90.229 93.612 1.00853.09 O ATOM 53464 O5* A B2540 -817.048 -91.859 95.491 1.00853.09 O ATOM 53465 C5* A B2540 -816.605 -92.328 96.761 1.00853.09 C ATOM 53466 C4* A B2540 -817.764 -92.869 97.556 1.00853.09 C ATOM 53467 O4* A B2540 -818.736 -91.815 97.794 1.00853.09 O ATOM 53468 C3* A B2540 -818.584 -93.973 96.920 1.00853.09 C ATOM 53469 O3* A B2540 -817.959 -95.235 97.093 1.00853.09 O ATOM 53470 C2* A B2540 -819.908 -93.882 97.664 1.00853.09 C ATOM 53471 O2* A B2540 -819.880 -94.556 98.908 1.00853.09 O ATOM 53472 C1* A B2540 -820.034 -92.380 97.896 1.00853.09 C ATOM 53473 N9 A B2540 -820.907 -91.740 96.907 1.00853.09 N ATOM 53474 C8 A B2540 -820.573 -91.150 95.714 1.00853.09 C ATOM 53475 N7 A B2540 -821.599 -90.644 95.071 1.00853.09 N ATOM 53476 C5 A B2540 -822.680 -90.926 95.894 1.00853.09 C ATOM 53477 C6 A B2540 -824.065 -90.649 95.791 1.00853.09 C ATOM 53478 N6 A B2540 -824.625 -89.976 94.791 1.00853.09 N ATOM 53479 N1 A B2540 -824.864 -91.090 96.776 1.00853.09 N ATOM 53480 C2 A B2540 -824.320 -91.749 97.791 1.00853.09 C ATOM 53481 N3 A B2540 -823.046 -92.058 98.015 1.00853.09 N ATOM 53482 C4 A B2540 -822.269 -91.613 97.020 1.00853.09 C ATOM 53483 P U B2541 -818.544 -96.510 96.312 1.00853.09 P ATOM 53484 O1P U B2541 -817.643 -97.659 96.570 1.00853.09 O ATOM 53485 O2P U B2541 -818.835 -96.103 94.914 1.00853.09 O ATOM 53486 O5* U B2541 -819.926 -96.779 97.054 1.00853.09 O ATOM 53487 C5* U B2541 -821.026 -97.379 96.381 1.00853.09 C ATOM 53488 C4* U B2541 -822.316 -97.021 97.079 1.00853.09 C ATOM 53489 O4* U B2541 -822.521 -95.587 97.016 1.00853.09 O ATOM 53490 C3* U B2541 -823.567 -97.624 96.453 1.00853.09 C ATOM 53491 O3* U B2541 -823.822 -98.939 96.929 1.00853.09 O ATOM 53492 C2* U B2541 -824.652 -96.638 96.876 1.00853.09 C ATOM 53493 O2* U B2541 -825.129 -96.888 98.185 1.00853.09 O ATOM 53494 C1* U B2541 -823.899 -95.307 96.858 1.00853.09 C ATOM 53495 N1 U B2541 -824.077 -94.553 95.610 1.00853.09 N ATOM 53496 C2 U B2541 -825.320 -93.989 95.370 1.00853.09 C ATOM 53497 O2 U B2541 -826.256 -94.099 96.143 1.00853.09 O ATOM 53498 N3 U B2541 -825.423 -93.292 94.191 1.00853.09 N ATOM 53499 C4 U B2541 -824.431 -93.104 93.248 1.00853.09 C ATOM 53500 O4 U B2541 -824.675 -92.442 92.239 1.00853.09 O ATOM 53501 C5 U B2541 -823.180 -93.718 93.570 1.00853.09 C ATOM 53502 C6 U B2541 -823.050 -94.404 94.709 1.00853.09 C ATOM 53503 P U B2542 -823.983-100.145 95.880 1.00853.09 P ATOM 53504 O1P U B2542 -823.799-101.414 96.630 1.00853.09 O ATOM 53505 O2P U B2542 -823.121 -99.859 94.703 1.00853.09 O ATOM 53506 O5* U B2542 -825.506-100.052 95.425 1.00853.09 O ATOM 53507 C5* U B2542 -826.520 -99.698 96.362 1.00853.09 C ATOM 53508 C4* U B2542 -827.635 -98.952 95.668 1.00853.09 C ATOM 53509 O4* U B2542 -827.183 -97.622 95.306 1.00853.09 O ATOM 53510 C3* U B2542 -828.085 -99.584 94.366 1.00853.09 C ATOM 53511 O3* U B2542 -829.078-100.581 94.590 1.00853.09 O ATOM 53512 C2* U B2542 -828.642 -98.395 93.586 1.00853.09 C ATOM 53513 O2* U B2542 -829.977 -98.092 93.939 1.00853.09 O ATOM 53514 C1* U B2542 -827.725 -97.259 94.050 1.00853.09 C ATOM 53515 N1 U B2542 -826.614 -96.996 93.122 1.00853.09 N ATOM 53516 C2 U B2542 -826.927 -96.471 91.883 1.00853.09 C ATOM 53517 O2 U B2542 -828.071 -96.216 91.541 1.00853.09 O ATOM 53518 N3 U B2542 -825.851 -96.254 91.055 1.00853.09 N ATOM 53519 C4 U B2542 -824.524 -96.506 91.340 1.00853.09 C ATOM 53520 O4 U B2542 -823.667 -96.262 90.488 1.00853.09 O ATOM 53521 C5 U B2542 -824.283 -97.044 92.642 1.00853.09 C ATOM 53522 C6 U B2542 -825.311 -97.267 93.469 1.00853.09 C ATOM 53523 P A B2543 -828.812-102.088 94.104 1.00853.09 P ATOM 53524 O1P A B2543 -830.094-102.818 94.255 1.00853.09 O ATOM 53525 O2P A B2543 -827.593-102.596 94.779 1.00853.09 O ATOM 53526 O5* A B2543 -828.506-101.942 92.549 1.00853.09 O ATOM 53527 C5* A B2543 -827.556-102.782 91.895 1.00853.09 C ATOM 53528 C4* A B2543 -828.005-103.049 90.482 1.00853.09 C ATOM 53529 O4* A B2543 -829.193-103.873 90.494 1.00853.09 O ATOM 53530 C3* A B2543 -828.394-101.782 89.719 1.00853.09 C ATOM 53531 O3* A B2543 -827.261-101.189 89.089 1.00853.09 O ATOM 53532 C2* A B2543 -829.431-102.292 88.727 1.00853.09 C ATOM 53533 O2* A B2543 -828.837-102.826 87.562 1.00853.09 O ATOM 53534 C1* A B2543 -830.107-103.420 89.516 1.00853.09 C ATOM 53535 N9 A B2543 -831.337-103.043 90.210 1.00853.09 N ATOM 53536 C8 A B2543 -831.438-102.507 91.470 1.00853.09 C ATOM 53537 N7 A B2543 -832.671-102.297 91.859 1.00853.09 N ATOM 53538 C5 A B2543 -833.436-102.714 90.779 1.00853.09 C ATOM 53539 C6 A B2543 -834.824-102.750 90.562 1.00853.09 C ATOM 53540 N6 A B2543 -835.726-102.351 91.466 1.00853.09 N ATOM 53541 N1 A B2543 -835.262-103.218 89.376 1.00853.09 N ATOM 53542 C2 A B2543 -834.358-103.623 88.473 1.00853.09 C ATOM 53543 N3 A B2543 -833.031-103.640 88.560 1.00853.09 N ATOM 53544 C4 A B2543 -832.627-103.169 89.752 1.00853.09 C ATOM 53545 P A B2544 -826.551 -99.912 89.755 1.00853.09 P ATOM 53546 O1P A B2544 -825.085-100.066 89.570 1.00853.09 O ATOM 53547 O2P A B2544 -827.102 -99.733 91.120 1.00853.09 O ATOM 53548 O5* A B2544 -827.036 -98.692 88.858 1.00853.09 O ATOM 53549 C5* A B2544 -826.905 -98.720 87.437 1.00853.09 C ATOM 53550 C4* A B2544 -828.063 -97.996 86.802 1.00853.09 C ATOM 53551 O4* A B2544 -829.297 -98.616 87.231 1.00853.09 O ATOM 53552 C3* A B2544 -828.194 -96.515 87.163 1.00853.09 C ATOM 53553 O3* A B2544 -827.444 -95.694 86.264 1.00853.09 O ATOM 53554 C2* A B2544 -829.698 -96.270 87.031 1.00853.09 C ATOM 53555 O2* A B2544 -830.086 -95.965 85.708 1.00853.09 O ATOM 53556 C1* A B2544 -830.288 -97.628 87.430 1.00853.09 C ATOM 53557 N9 A B2544 -830.756 -97.736 88.813 1.00853.09 N ATOM 53558 C8 A B2544 -830.014 -98.027 89.931 1.00853.09 C ATOM 53559 N7 A B2544 -830.723 -98.095 91.031 1.00853.09 N ATOM 53560 C5 A B2544 -832.018 -97.822 90.610 1.00853.09 C ATOM 53561 C6 A B2544 -833.242 -97.744 91.302 1.00853.09 C ATOM 53562 N6 A B2544 -833.366 -97.952 92.617 1.00853.09 N ATOM 53563 N1 A B2544 -834.349 -97.450 90.585 1.00853.09 N ATOM 53564 C2 A B2544 -834.224 -97.249 89.269 1.00853.09 C ATOM 53565 N3 A B2544 -833.133 -97.297 88.506 1.00853.09 N ATOM 53566 C4 A B2544 -832.051 -97.592 89.249 1.00853.09 C ATOM 53567 P A B2545 -827.263 -94.119 86.560 1.00853.09 P ATOM 53568 O1P A B2545 -826.103 -93.665 85.752 1.00853.09 O ATOM 53569 O2P A B2545 -827.270 -93.892 88.025 1.00853.09 O ATOM 53570 O5* A B2545 -828.571 -93.441 85.953 1.00853.09 O ATOM 53571 C5* A B2545 -828.946 -92.117 86.314 1.00853.09 C ATOM 53572 C4* A B2545 -830.281 -92.144 87.005 1.00853.09 C ATOM 53573 O4* A B2545 -830.267 -93.149 88.042 1.00853.09 O ATOM 53574 C3* A B2545 -830.728 -90.849 87.674 1.00853.09 C ATOM 53575 O3* A B2545 -831.400 -90.046 86.706 1.00853.09 O ATOM 53576 C2* A B2545 -831.660 -91.352 88.776 1.00853.09 C ATOM 53577 O2* A B2545 -832.972 -91.564 88.304 1.00853.09 O ATOM 53578 C1* A B2545 -831.040 -92.707 89.135 1.00853.09 C ATOM 53579 N9 A B2545 -830.193 -92.744 90.324 1.00853.09 N ATOM 53580 C8 A B2545 -829.113 -91.956 90.633 1.00853.09 C ATOM 53581 N7 A B2545 -828.533 -92.275 91.763 1.00853.09 N ATOM 53582 C5 A B2545 -829.286 -93.342 92.235 1.00853.09 C ATOM 53583 C6 A B2545 -829.185 -94.137 93.390 1.00853.09 C ATOM 53584 N6 A B2545 -828.237 -93.978 94.317 1.00853.09 N ATOM 53585 N1 A B2545 -830.098 -95.116 93.559 1.00853.09 N ATOM 53586 C2 A B2545 -831.043 -95.279 92.624 1.00853.09 C ATOM 53587 N3 A B2545 -831.239 -94.598 91.500 1.00853.09 N ATOM 53588 C4 A B2545 -830.316 -93.635 91.361 1.00853.09 C ATOM 53589 P G B2546 -831.849 -88.543 87.064 1.00853.09 P ATOM 53590 O1P G B2546 -830.886 -87.619 86.411 1.00853.09 O ATOM 53591 O2P G B2546 -832.098 -88.429 88.523 1.00853.09 O ATOM 53592 O5* G B2546 -833.250 -88.398 86.319 1.00853.09 O ATOM 53593 C5* G B2546 -834.091 -89.531 86.113 1.00853.09 C ATOM 53594 C4* G B2546 -834.098 -89.918 84.650 1.00853.09 C ATOM 53595 O4* G B2546 -834.623 -91.262 84.498 1.00853.09 O ATOM 53596 C3* G B2546 -834.957 -89.060 83.759 1.00853.09 C ATOM 53597 O3* G B2546 -834.183 -87.941 83.349 1.00853.09 O ATOM 53598 C2* G B2546 -835.306 -89.989 82.599 1.00853.09 C ATOM 53599 O2* G B2546 -834.311 -90.003 81.599 1.00853.09 O ATOM 53600 C1* G B2546 -835.360 -91.355 83.290 1.00853.09 C ATOM 53601 N9 G B2546 -836.710 -91.805 83.614 1.00853.09 N ATOM 53602 C8 G B2546 -837.309 -91.802 84.850 1.00853.09 C ATOM 53603 N7 G B2546 -838.522 -92.282 84.835 1.00853.09 N ATOM 53604 C5 G B2546 -838.743 -92.616 83.506 1.00853.09 C ATOM 53605 C6 G B2546 -839.887 -93.181 82.876 1.00853.09 C ATOM 53606 O6 G B2546 -840.963 -93.515 83.386 1.00853.09 O ATOM 53607 N1 G B2546 -839.688 -93.350 81.511 1.00853.09 N ATOM 53608 C2 G B2546 -838.540 -93.024 80.834 1.00853.09 C ATOM 53609 N2 G B2546 -838.546 -93.260 79.515 1.00853.09 N ATOM 53610 N3 G B2546 -837.466 -92.500 81.408 1.00853.09 N ATOM 53611 C4 G B2546 -837.637 -92.325 82.736 1.00853.09 C ATOM 53612 P C B2547 -834.843 -86.475 83.345 1.00853.09 P ATOM 53613 O1P C B2547 -833.731 -85.490 83.335 1.00853.09 O ATOM 53614 O2P C B2547 -835.866 -86.416 84.422 1.00853.09 O ATOM 53615 O5* C B2547 -835.590 -86.392 81.941 1.00853.09 O ATOM 53616 C5* C B2547 -834.854 -86.388 80.722 1.00853.09 C ATOM 53617 C4* C B2547 -835.732 -86.852 79.582 1.00853.09 C ATOM 53618 O4* C B2547 -836.152 -88.216 79.842 1.00853.09 O ATOM 53619 C3* C B2547 -837.035 -86.109 79.396 1.00853.09 C ATOM 53620 O3* C B2547 -836.843 -84.918 78.644 1.00853.09 O ATOM 53621 C2* C B2547 -837.903 -87.120 78.664 1.00853.09 C ATOM 53622 O2* C B2547 -837.648 -87.145 77.270 1.00853.09 O ATOM 53623 C1* C B2547 -837.439 -88.435 79.295 1.00853.09 C ATOM 53624 N1 C B2547 -838.334 -88.853 80.384 1.00853.09 N ATOM 53625 C2 C B2547 -839.346 -89.774 80.099 1.00853.09 C ATOM 53626 O2 C B2547 -839.446 -90.209 78.944 1.00853.09 O ATOM 53627 N3 C B2547 -840.184 -90.163 81.085 1.00853.09 N ATOM 53628 C4 C B2547 -840.042 -89.664 82.315 1.00853.09 C ATOM 53629 N4 C B2547 -840.894 -90.074 83.260 1.00853.09 N ATOM 53630 C5 C B2547 -839.021 -88.722 82.633 1.00853.09 C ATOM 53631 C6 C B2547 -838.196 -88.350 81.646 1.00853.09 C ATOM 53632 P G B2548 -837.541 -83.554 79.132 1.00853.09 P ATOM 53633 O1P G B2548 -836.971 -82.449 78.319 1.00853.09 O ATOM 53634 O2P G B2548 -837.460 -83.492 80.614 1.00853.09 O ATOM 53635 O5* G B2548 -839.072 -83.724 78.723 1.00853.09 O ATOM 53636 C5* G B2548 -839.558 -83.174 77.503 1.00853.09 C ATOM 53637 C4* G B2548 -841.037 -83.434 77.344 1.00853.09 C ATOM 53638 O4* G B2548 -841.272 -84.866 77.229 1.00853.09 O ATOM 53639 C3* G B2548 -841.992 -83.003 78.448 1.00853.09 C ATOM 53640 O3* G B2548 -842.326 -81.615 78.430 1.00853.09 O ATOM 53641 C2* G B2548 -843.212 -83.871 78.166 1.00853.09 C ATOM 53642 O2* G B2548 -844.033 -83.339 77.145 1.00853.09 O ATOM 53643 C1* G B2548 -842.573 -85.173 77.697 1.00853.09 C ATOM 53644 N9 G B2548 -842.483 -86.114 78.807 1.00853.09 N ATOM 53645 C8 G B2548 -841.349 -86.565 79.445 1.00853.09 C ATOM 53646 N7 G B2548 -841.607 -87.368 80.438 1.00853.09 N ATOM 53647 C5 G B2548 -842.992 -87.463 80.458 1.00853.09 C ATOM 53648 C6 G B2548 -843.863 -88.190 81.319 1.00853.09 C ATOM 53649 O6 G B2548 -843.577 -88.923 82.278 1.00853.09 O ATOM 53650 N1 G B2548 -845.198 -88.000 80.974 1.00853.09 N ATOM 53651 C2 G B2548 -845.642 -87.213 79.941 1.00853.09 C ATOM 53652 N2 G B2548 -846.967 -87.163 79.756 1.00853.09 N ATOM 53653 N3 G B2548 -844.847 -86.533 79.136 1.00853.09 N ATOM 53654 C4 G B2548 -843.545 -86.702 79.451 1.00853.09 C ATOM 53655 P G B2549 -842.893 -80.914 79.770 1.00853.09 P ATOM 53656 O1P G B2549 -843.084 -79.469 79.486 1.00853.09 O ATOM 53657 O2P G B2549 -842.024 -81.328 80.900 1.00853.09 O ATOM 53658 O5* G B2549 -844.331 -81.571 79.990 1.00853.09 O ATOM 53659 C5* G B2549 -844.497 -82.624 80.932 1.00853.09 C ATOM 53660 C4* G B2549 -845.801 -83.357 80.711 1.00853.09 C ATOM 53661 O4* G B2549 -845.768 -84.593 81.467 1.00853.09 O ATOM 53662 C3* G B2549 -847.054 -82.642 81.184 1.00853.09 C ATOM 53663 O3* G B2549 -847.528 -81.740 80.188 1.00853.09 O ATOM 53664 C2* G B2549 -848.005 -83.799 81.470 1.00853.09 C ATOM 53665 O2* G B2549 -848.651 -84.273 80.302 1.00853.09 O ATOM 53666 C1* G B2549 -847.049 -84.880 81.989 1.00853.09 C ATOM 53667 N9 G B2549 -846.876 -84.947 83.436 1.00853.09 N ATOM 53668 C8 G B2549 -845.663 -85.065 84.070 1.00853.09 C ATOM 53669 N7 G B2549 -845.758 -85.113 85.365 1.00853.09 N ATOM 53670 C5 G B2549 -847.118 -85.017 85.619 1.00853.09 C ATOM 53671 C6 G B2549 -847.805 -85.003 86.846 1.00853.09 C ATOM 53672 O6 G B2549 -847.333 -85.049 87.977 1.00853.09 O ATOM 53673 N1 G B2549 -849.175 -84.907 86.671 1.00853.09 N ATOM 53674 C2 G B2549 -849.805 -84.803 85.443 1.00853.09 C ATOM 53675 N2 G B2549 -851.142 -84.687 85.467 1.00853.09 N ATOM 53676 N3 G B2549 -849.165 -84.805 84.275 1.00853.09 N ATOM 53677 C4 G B2549 -847.832 -84.915 84.436 1.00853.09 C ATOM 53678 P C B2550 -847.442 -80.153 80.438 1.00853.09 P ATOM 53679 O1P C B2550 -848.166 -79.486 79.326 1.00853.09 O ATOM 53680 O2P C B2550 -846.029 -79.795 80.719 1.00853.09 O ATOM 53681 O5* C B2550 -848.288 -79.939 81.770 1.00853.09 O ATOM 53682 C5* C B2550 -849.712 -79.913 81.737 1.00853.09 C ATOM 53683 C4* C B2550 -850.251 -79.991 83.141 1.00853.09 C ATOM 53684 O4* C B2550 -849.702 -81.157 83.803 1.00853.09 O ATOM 53685 C3* C B2550 -849.950 -78.876 84.132 1.00853.09 C ATOM 53686 O3* C B2550 -850.820 -77.786 83.876 1.00853.09 O ATOM 53687 C2* C B2550 -850.190 -79.537 85.483 1.00853.09 C ATOM 53688 O2* C B2550 -851.551 -79.534 85.858 1.00853.09 O ATOM 53689 C1* C B2550 -849.736 -80.971 85.206 1.00853.09 C ATOM 53690 N1 C B2550 -848.398 -81.293 85.734 1.00853.09 N ATOM 53691 C2 C B2550 -848.274 -81.661 87.072 1.00853.09 C ATOM 53692 O2 C B2550 -849.289 -81.685 87.781 1.00853.09 O ATOM 53693 N3 C B2550 -847.053 -81.988 87.559 1.00853.09 N ATOM 53694 C4 C B2550 -845.986 -81.951 86.761 1.00853.09 C ATOM 53695 N4 C B2550 -844.804 -82.294 87.278 1.00853.09 N ATOM 53696 C5 C B2550 -846.083 -81.562 85.391 1.00853.09 C ATOM 53697 C6 C B2550 -847.298 -81.242 84.928 1.00853.09 C ATOM 53698 P A B2551 -850.597 -76.414 84.661 1.00853.09 P ATOM 53699 O1P A B2551 -850.585 -76.784 86.098 1.00853.09 O ATOM 53700 O2P A B2551 -851.561 -75.404 84.152 1.00853.09 O ATOM 53701 O5* A B2551 -849.122 -75.957 84.283 1.00853.09 O ATOM 53702 C5* A B2551 -848.812 -75.500 82.975 1.00853.09 C ATOM 53703 C4* A B2551 -848.884 -73.993 82.923 1.00853.09 C ATOM 53704 O4* A B2551 -850.257 -73.555 82.802 1.00853.09 O ATOM 53705 C3* A B2551 -848.294 -73.232 84.097 1.00853.09 C ATOM 53706 O3* A B2551 -846.892 -73.058 83.924 1.00853.09 O ATOM 53707 C2* A B2551 -849.042 -71.899 84.029 1.00853.09 C ATOM 53708 O2* A B2551 -848.433 -70.981 83.148 1.00853.09 O ATOM 53709 C1* A B2551 -850.403 -72.312 83.456 1.00853.09 C ATOM 53710 N9 A B2551 -851.493 -72.398 84.426 1.00853.09 N ATOM 53711 C8 A B2551 -851.432 -72.504 85.794 1.00853.09 C ATOM 53712 N7 A B2551 -852.612 -72.539 86.372 1.00853.09 N ATOM 53713 C5 A B2551 -853.507 -72.457 85.312 1.00853.09 C ATOM 53714 C6 A B2551 -854.911 -72.444 85.254 1.00853.09 C ATOM 53715 N6 A B2551 -855.701 -72.516 86.331 1.00853.09 N ATOM 53716 N1 A B2551 -855.491 -72.354 84.037 1.00853.09 N ATOM 53717 C2 A B2551 -854.700 -72.277 82.958 1.00853.09 C ATOM 53718 N3 A B2551 -853.372 -72.280 82.885 1.00853.09 N ATOM 53719 C4 A B2551 -852.831 -72.371 84.110 1.00853.09 C ATOM 53720 P C B2552 -845.894 -73.343 85.148 1.00853.09 P ATOM 53721 O1P C B2552 -846.636 -74.120 86.174 1.00853.09 O ATOM 53722 O2P C B2552 -845.248 -72.060 85.523 1.00853.09 O ATOM 53723 O5* C B2552 -844.789 -74.291 84.507 1.00853.09 O ATOM 53724 C5* C B2552 -845.164 -75.472 83.801 1.00853.09 C ATOM 53725 C4* C B2552 -843.991 -76.421 83.717 1.00853.09 C ATOM 53726 O4* C B2552 -842.968 -75.848 82.864 1.00853.09 O ATOM 53727 C3* C B2552 -843.299 -76.644 85.043 1.00853.09 C ATOM 53728 O3* C B2552 -843.947 -77.666 85.784 1.00853.09 O ATOM 53729 C2* C B2552 -841.881 -77.004 84.631 1.00853.09 C ATOM 53730 O2* C B2552 -841.744 -78.365 84.271 1.00853.09 O ATOM 53731 C1* C B2552 -841.684 -76.112 83.407 1.00853.09 C ATOM 53732 N1 C B2552 -841.115 -74.827 83.825 1.00853.09 N ATOM 53733 C2 C B2552 -839.789 -74.779 84.256 1.00853.09 C ATOM 53734 O2 C B2552 -839.097 -75.806 84.193 1.00853.09 O ATOM 53735 N3 C B2552 -839.298 -73.612 84.725 1.00853.09 N ATOM 53736 C4 C B2552 -840.078 -72.529 84.767 1.00853.09 C ATOM 53737 N4 C B2552 -839.577 -71.421 85.291 1.00853.09 N ATOM 53738 C5 C B2552 -841.411 -72.541 84.285 1.00853.09 C ATOM 53739 C6 C B2552 -841.884 -73.700 83.828 1.00853.09 C ATOM 53740 P G B2553 -843.911 -78.223 88.015 1.00855.43 P ATOM 53741 O1P G B2553 -843.028 -77.097 88.415 1.00855.43 O ATOM 53742 O2P G B2553 -843.666 -79.577 88.573 1.00855.43 O ATOM 53743 O5* G B2553 -845.407 -77.807 88.351 1.00855.43 O ATOM 53744 C5* G B2553 -846.403 -77.758 87.334 1.00855.43 C ATOM 53745 C4* G B2553 -847.757 -78.003 87.948 1.00855.43 C ATOM 53746 O4* G B2553 -847.850 -79.411 88.267 1.00855.43 O ATOM 53747 C3* G B2553 -847.947 -77.285 89.266 1.00855.43 C ATOM 53748 O3* G B2553 -848.493 -75.985 89.052 1.00855.43 O ATOM 53749 C2* G B2553 -848.898 -78.200 90.018 1.00855.43 C ATOM 53750 O2* G B2553 -850.230 -78.010 89.608 1.00855.43 O ATOM 53751 C1* G B2553 -848.440 -79.575 89.541 1.00855.43 C ATOM 53752 N9 G B2553 -847.437 -80.154 90.427 1.00855.43 N ATOM 53753 C8 G B2553 -846.072 -80.096 90.281 1.00855.43 C ATOM 53754 N7 G B2553 -845.424 -80.700 91.243 1.00855.43 N ATOM 53755 C5 G B2553 -846.429 -81.186 92.072 1.00855.43 C ATOM 53756 C6 G B2553 -846.345 -81.925 93.279 1.00855.43 C ATOM 53757 O6 G B2553 -845.340 -82.314 93.879 1.00855.43 O ATOM 53758 N1 G B2553 -847.609 -82.206 93.789 1.00855.43 N ATOM 53759 C2 G B2553 -848.798 -81.829 93.216 1.00855.43 C ATOM 53760 N2 G B2553 -849.912 -82.190 93.863 1.00855.43 N ATOM 53761 N3 G B2553 -848.886 -81.145 92.091 1.00855.43 N ATOM 53762 C4 G B2553 -847.672 -80.858 91.577 1.00855.43 C ATOM 53763 P C B2554 -847.747 -74.697 89.664 1.00855.43 P ATOM 53764 O1P C B2554 -847.988 -73.562 88.734 1.00855.43 O ATOM 53765 O2P C B2554 -846.355 -75.068 90.019 1.00855.43 O ATOM 53766 O5* C B2554 -848.536 -74.392 91.013 1.00855.43 O ATOM 53767 C5* C B2554 -849.944 -74.199 90.997 1.00855.43 C ATOM 53768 C4* C B2554 -850.589 -74.908 92.161 1.00855.43 C ATOM 53769 O4* C B2554 -850.304 -76.326 92.091 1.00855.43 O ATOM 53770 C3* C B2554 -850.082 -74.497 93.524 1.00855.43 C ATOM 53771 O3* C B2554 -850.704 -73.304 93.965 1.00855.43 O ATOM 53772 C2* C B2554 -850.421 -75.707 94.384 1.00855.43 C ATOM 53773 O2* C B2554 -851.776 -75.704 94.783 1.00855.43 O ATOM 53774 C1* C B2554 -850.173 -76.853 93.404 1.00855.43 C ATOM 53775 N1 C B2554 -848.808 -77.389 93.535 1.00855.43 N ATOM 53776 C2 C B2554 -848.597 -78.542 94.296 1.00855.43 C ATOM 53777 O2 C B2554 -849.571 -79.096 94.832 1.00855.43 O ATOM 53778 N3 C B2554 -847.339 -79.022 94.430 1.00855.43 N ATOM 53779 C4 C B2554 -846.317 -78.397 93.837 1.00855.43 C ATOM 53780 N4 C B2554 -845.095 -78.902 94.002 1.00855.43 N ATOM 53781 C5 C B2554 -846.507 -77.226 93.051 1.00855.43 C ATOM 53782 C6 C B2554 -847.756 -76.761 92.929 1.00855.43 C ATOM 53783 P G B2555 -849.808 -71.996 94.176 1.00855.43 P ATOM 53784 O1P G B2555 -850.570 -70.830 93.659 1.00855.43 O ATOM 53785 O2P G B2555 -848.451 -72.278 93.647 1.00855.43 O ATOM 53786 O5* G B2555 -849.700 -71.877 95.760 1.00855.43 O ATOM 53787 C5* G B2555 -849.610 -73.038 96.583 1.00855.43 C ATOM 53788 C4* G B2555 -850.049 -72.695 97.980 1.00855.43 C ATOM 53789 O4* G B2555 -849.014 -71.892 98.592 1.00855.43 O ATOM 53790 C3* G B2555 -851.269 -71.793 98.097 1.00855.43 C ATOM 53791 O3* G B2555 -852.459 -72.577 98.051 1.00855.43 O ATOM 53792 C2* G B2555 -851.095 -71.067 99.429 1.00855.43 C ATOM 53793 O2* G B2555 -851.686 -71.765 100.503 1.00855.43 O ATOM 53794 C1* G B2555 -849.571 -71.073 99.597 1.00855.43 C ATOM 53795 N9 G B2555 -848.877 -69.784 99.548 1.00855.43 N ATOM 53796 C8 G B2555 -848.164 -69.224 100.579 1.00855.43 C ATOM 53797 N7 G B2555 -847.635 -68.073 100.275 1.00855.43 N ATOM 53798 C5 G B2555 -848.020 -67.853 98.961 1.00855.43 C ATOM 53799 C6 G B2555 -847.743 -66.763 98.099 1.00855.43 C ATOM 53800 O6 G B2555 -847.086 -65.741 98.333 1.00855.43 O ATOM 53801 N1 G B2555 -848.326 -66.940 96.852 1.00855.43 N ATOM 53802 C2 G B2555 -849.077 -68.028 96.475 1.00855.43 C ATOM 53803 N2 G B2555 -849.545 -68.015 95.221 1.00855.43 N ATOM 53804 N3 G B2555 -849.347 -69.052 97.271 1.00855.43 N ATOM 53805 C4 G B2555 -848.789 -68.899 98.493 1.00855.43 C ATOM 53806 P A B2556 -853.532 -72.358 96.875 1.00855.43 P ATOM 53807 O1P A B2556 -853.774 -73.672 96.232 1.00855.43 O ATOM 53808 O2P A B2556 -853.094 -71.207 96.047 1.00855.43 O ATOM 53809 O5* A B2556 -854.860 -71.942 97.652 1.00855.43 O ATOM 53810 C5* A B2556 -854.789 -71.260 98.904 1.00855.43 C ATOM 53811 C4* A B2556 -856.012 -71.554 99.741 1.00855.43 C ATOM 53812 O4* A B2556 -857.190 -71.023 99.080 1.00855.43 O ATOM 53813 C3* A B2556 -856.332 -73.009 99.893 1.00855.43 C ATOM 53814 O3* A B2556 -855.562 -73.498 100.980 1.00855.43 O ATOM 53815 C2* A B2556 -857.822 -73.024 100.199 1.00855.43 C ATOM 53816 O2* A B2556 -858.099 -72.817 101.571 1.00855.43 O ATOM 53817 C1* A B2556 -858.314 -71.828 99.387 1.00855.43 C ATOM 53818 N9 A B2556 -858.923 -72.260 98.128 1.00855.43 N ATOM 53819 C8 A B2556 -858.304 -72.838 97.046 1.00855.43 C ATOM 53820 N7 A B2556 -859.122 -73.139 96.067 1.00855.43 N ATOM 53821 C5 A B2556 -860.366 -72.727 96.533 1.00855.43 C ATOM 53822 C6 A B2556 -861.651 -72.767 95.967 1.00855.43 C ATOM 53823 N6 A B2556 -861.922 -73.260 94.758 1.00855.43 N ATOM 53824 N1 A B2556 -862.670 -72.274 96.700 1.00855.43 N ATOM 53825 C2 A B2556 -862.408 -71.777 97.910 1.00855.43 C ATOM 53826 N3 A B2556 -861.250 -71.687 98.552 1.00855.43 N ATOM 53827 C4 A B2556 -860.253 -72.185 97.799 1.00855.43 C ATOM 53828 P G B2557 -855.159 -75.051 101.018 1.00855.43 P ATOM 53829 O1P G B2557 -854.775 -75.441 99.636 1.00855.43 O ATOM 53830 O2P G B2557 -856.241 -75.797 101.714 1.00855.43 O ATOM 53831 O5* G B2557 -853.847 -75.081 101.925 1.00855.43 O ATOM 53832 C5* G B2557 -852.971 -73.956 101.965 1.00855.43 C ATOM 53833 C4* G B2557 -851.876 -74.208 102.966 1.00855.43 C ATOM 53834 O4* G B2557 -851.161 -75.432 102.646 1.00855.43 O ATOM 53835 C3* G B2557 -850.810 -73.148 103.046 1.00855.43 C ATOM 53836 O3* G B2557 -851.235 -72.076 103.877 1.00855.43 O ATOM 53837 C2* G B2557 -849.651 -73.914 103.663 1.00855.43 C ATOM 53838 O2* G B2557 -849.878 -74.085 105.040 1.00855.43 O ATOM 53839 C1* G B2557 -849.800 -75.289 103.015 1.00855.43 C ATOM 53840 N9 G B2557 -848.962 -75.443 101.830 1.00855.43 N ATOM 53841 C8 G B2557 -849.251 -75.049 100.546 1.00855.43 C ATOM 53842 N7 G B2557 -848.297 -75.326 99.699 1.00855.43 N ATOM 53843 C5 G B2557 -847.317 -75.940 100.467 1.00855.43 C ATOM 53844 C6 G B2557 -846.049 -76.460 100.098 1.00855.43 C ATOM 53845 O6 G B2557 -845.514 -76.480 98.982 1.00855.43 O ATOM 53846 N1 G B2557 -845.378 -76.994 101.193 1.00855.43 N ATOM 53847 C2 G B2557 -845.862 -77.026 102.478 1.00855.43 C ATOM 53848 N2 G B2557 -845.066 -77.585 103.398 1.00855.43 N ATOM 53849 N3 G B2557 -847.041 -76.546 102.832 1.00855.43 N ATOM 53850 C4 G B2557 -847.713 -76.021 101.784 1.00855.43 C ATOM 53851 P C B2558 -850.507 -70.648 103.758 1.00855.43 P ATOM 53852 O1P C B2558 -851.125 -69.765 104.780 1.00855.43 O ATOM 53853 O2P C B2558 -850.513 -70.231 102.332 1.00855.43 O ATOM 53854 O5* C B2558 -849.012 -70.940 104.213 1.00855.43 O ATOM 53855 C5* C B2558 -848.746 -71.258 105.571 1.00855.43 C ATOM 53856 C4* C B2558 -847.341 -71.781 105.745 1.00855.43 C ATOM 53857 O4* C B2558 -847.149 -72.963 104.925 1.00855.43 O ATOM 53858 C3* C B2558 -846.251 -70.830 105.293 1.00855.43 C ATOM 53859 O3* C B2558 -845.930 -69.862 106.287 1.00855.43 O ATOM 53860 C2* C B2558 -845.088 -71.779 105.025 1.00855.43 C ATOM 53861 O2* C B2558 -844.410 -72.148 106.210 1.00855.43 O ATOM 53862 C1* C B2558 -845.809 -73.008 104.468 1.00855.43 C ATOM 53863 N1 C B2558 -845.809 -73.029 102.997 1.00855.43 N ATOM 53864 C2 C B2558 -844.739 -73.643 102.336 1.00855.43 C ATOM 53865 O2 C B2558 -843.841 -74.166 103.009 1.00855.43 O ATOM 53866 N3 C B2558 -844.715 -73.652 100.983 1.00855.43 N ATOM 53867 C4 C B2558 -845.707 -73.078 100.298 1.00855.43 C ATOM 53868 N4 C B2558 -845.644 -73.103 98.967 1.00855.43 N ATOM 53869 C5 C B2558 -846.810 -72.451 100.948 1.00855.43 C ATOM 53870 C6 C B2558 -846.820 -72.451 102.286 1.00855.43 C ATOM 53871 P U B2559 -845.391 -68.415 105.839 1.00855.43 P ATOM 53872 O1P U B2559 -845.185 -67.614 107.073 1.00855.43 O ATOM 53873 O2P U B2559 -846.275 -67.896 104.765 1.00855.43 O ATOM 53874 O5* U B2559 -843.968 -68.730 105.203 1.00855.43 O ATOM 53875 C5* U B2559 -842.959 -69.378 105.970 1.00855.43 C ATOM 53876 C4* U B2559 -841.896 -69.948 105.065 1.00855.43 C ATOM 53877 O4* U B2559 -842.479 -70.895 104.132 1.00855.43 O ATOM 53878 C3* U B2559 -841.200 -68.926 104.200 1.00855.43 C ATOM 53879 O3* U B2559 -840.141 -68.339 104.942 1.00855.43 O ATOM 53880 C2* U B2559 -840.711 -69.754 103.012 1.00855.43 C ATOM 53881 O2* U B2559 -839.478 -70.393 103.270 1.00855.43 O ATOM 53882 C1* U B2559 -841.814 -70.809 102.886 1.00855.43 C ATOM 53883 N1 U B2559 -842.804 -70.503 101.839 1.00855.43 N ATOM 53884 C2 U B2559 -842.706 -71.182 100.635 1.00855.43 C ATOM 53885 O2 U B2559 -841.834 -72.002 100.396 1.00855.43 O ATOM 53886 N3 U B2559 -843.667 -70.863 99.708 1.00855.43 N ATOM 53887 C4 U B2559 -844.691 -69.954 99.857 1.00855.43 C ATOM 53888 O4 U B2559 -845.479 -69.775 98.929 1.00855.43 O ATOM 53889 C5 U B2559 -844.725 -69.289 101.124 1.00855.43 C ATOM 53890 C6 U B2559 -843.799 -69.580 102.050 1.00855.43 C ATOM 53891 P G B2560 -840.101 -66.746 105.129 1.00855.43 P ATOM 53892 O1P G B2560 -839.001 -66.427 106.071 1.00855.43 O ATOM 53893 O2P G B2560 -841.480 -66.273 105.419 1.00855.43 O ATOM 53894 O5* G B2560 -839.687 -66.223 103.684 1.00855.43 O ATOM 53895 C5* G B2560 -838.604 -66.821 102.981 1.00855.43 C ATOM 53896 C4* G B2560 -838.480 -66.215 101.608 1.00855.43 C ATOM 53897 O4* G B2560 -839.679 -66.443 100.830 1.00855.43 O ATOM 53898 C3* G B2560 -838.343 -64.703 101.543 1.00855.43 C ATOM 53899 O3* G B2560 -836.997 -64.354 101.830 1.00855.43 O ATOM 53900 C2* G B2560 -838.789 -64.339 100.131 1.00855.43 C ATOM 53901 O2* G B2560 -837.732 -64.344 99.194 1.00855.43 O ATOM 53902 C1* G B2560 -839.775 -65.470 99.808 1.00855.43 C ATOM 53903 N9 G B2560 -841.173 -65.065 99.712 1.00855.43 N ATOM 53904 C8 G B2560 -841.733 -64.314 98.709 1.00855.43 C ATOM 53905 N7 G B2560 -843.013 -64.113 98.865 1.00855.43 N ATOM 53906 C5 G B2560 -843.319 -64.773 100.049 1.00855.43 C ATOM 53907 C6 G B2560 -844.557 -64.909 100.723 1.00855.43 C ATOM 53908 O6 G B2560 -845.662 -64.469 100.398 1.00855.43 O ATOM 53909 N1 G B2560 -844.420 -65.654 101.890 1.00855.43 N ATOM 53910 C2 G B2560 -843.248 -66.201 102.348 1.00855.43 C ATOM 53911 N2 G B2560 -843.322 -66.885 103.499 1.00855.43 N ATOM 53912 N3 G B2560 -842.087 -66.081 101.724 1.00855.43 N ATOM 53913 C4 G B2560 -842.196 -65.361 100.588 1.00855.43 C ATOM 53914 P G B2561 -836.584 -63.872 103.299 1.00855.43 P ATOM 53915 O1P G B2561 -837.651 -64.315 104.231 1.00855.43 O ATOM 53916 O2P G B2561 -836.203 -62.437 103.256 1.00855.43 O ATOM 53917 O5* G B2561 -835.274 -64.728 103.589 1.00855.43 O ATOM 53918 C5* G B2561 -835.318 -66.155 103.580 1.00855.43 C ATOM 53919 C4* G B2561 -834.506 -66.698 102.426 1.00855.43 C ATOM 53920 O4* G B2561 -834.869 -68.065 102.112 1.00855.43 O ATOM 53921 C3* G B2561 -834.677 -65.913 101.141 1.00855.43 C ATOM 53922 O3* G B2561 -833.731 -64.853 101.164 1.00855.43 O ATOM 53923 C2* G B2561 -834.375 -66.948 100.059 1.00855.43 C ATOM 53924 O2* G B2561 -832.992 -67.055 99.792 1.00855.43 O ATOM 53925 C1* G B2561 -834.872 -68.247 100.704 1.00855.43 C ATOM 53926 N9 G B2561 -836.218 -68.651 100.303 1.00855.43 N ATOM 53927 C8 G B2561 -837.159 -69.242 101.104 1.00855.43 C ATOM 53928 N7 G B2561 -838.286 -69.474 100.487 1.00855.43 N ATOM 53929 C5 G B2561 -838.070 -69.015 99.194 1.00855.43 C ATOM 53930 C6 G B2561 -838.940 -68.997 98.075 1.00855.43 C ATOM 53931 O6 G B2561 -840.114 -69.377 98.006 1.00855.43 O ATOM 53932 N1 G B2561 -838.318 -68.459 96.954 1.00855.43 N ATOM 53933 C2 G B2561 -837.030 -67.992 96.916 1.00855.43 C ATOM 53934 N2 G B2561 -836.611 -67.518 95.734 1.00855.43 N ATOM 53935 N3 G B2561 -836.211 -67.989 97.957 1.00855.43 N ATOM 53936 C4 G B2561 -836.796 -68.513 99.059 1.00855.43 C ATOM 53937 P G B2562 -834.084 -63.457 100.452 1.00855.43 P ATOM 53938 O1P G B2562 -833.747 -62.373 101.407 1.00855.43 O ATOM 53939 O2P G B2562 -835.457 -63.545 99.896 1.00855.43 O ATOM 53940 O5* G B2562 -833.057 -63.386 99.234 1.00855.43 O ATOM 53941 C5* G B2562 -831.928 -64.254 99.186 1.00855.43 C ATOM 53942 C4* G B2562 -831.744 -64.796 97.788 1.00855.43 C ATOM 53943 O4* G B2562 -832.874 -65.627 97.427 1.00855.43 O ATOM 53944 C3* G B2562 -831.665 -63.756 96.678 1.00855.43 C ATOM 53945 O3* G B2562 -830.363 -63.202 96.535 1.00855.43 O ATOM 53946 C2* G B2562 -832.081 -64.555 95.448 1.00855.43 C ATOM 53947 O2* G B2562 -831.009 -65.289 94.892 1.00855.43 O ATOM 53948 C1* G B2562 -833.110 -65.525 96.034 1.00855.43 C ATOM 53949 N9 G B2562 -834.488 -65.092 95.820 1.00855.43 N ATOM 53950 C8 G B2562 -835.450 -64.850 96.774 1.00855.43 C ATOM 53951 N7 G B2562 -836.592 -64.470 96.263 1.00855.43 N ATOM 53952 C5 G B2562 -836.371 -64.460 94.888 1.00855.43 C ATOM 53953 C6 G B2562 -837.241 -64.123 93.810 1.00855.43 C ATOM 53954 O6 G B2562 -838.424 -63.754 93.848 1.00855.43 O ATOM 53955 N1 G B2562 -836.604 -64.253 92.580 1.00855.43 N ATOM 53956 C2 G B2562 -835.302 -64.649 92.408 1.00855.43 C ATOM 53957 N2 G B2562 -834.870 -64.709 91.139 1.00855.43 N ATOM 53958 N3 G B2562 -834.480 -64.959 93.397 1.00855.43 N ATOM 53959 C4 G B2562 -835.078 -64.845 94.602 1.00855.43 C ATOM 53960 P U B2563 -830.173 -61.603 96.563 1.00855.43 P ATOM 53961 O1P U B2563 -828.820 -61.310 96.025 1.00855.43 O ATOM 53962 O2P U B2563 -830.552 -61.108 97.910 1.00855.43 O ATOM 53963 O5* U B2563 -831.244 -61.064 95.515 1.00855.43 O ATOM 53964 C5* U B2563 -831.013 -61.160 94.113 1.00855.43 C ATOM 53965 C4* U B2563 -832.319 -61.039 93.362 1.00855.43 C ATOM 53966 O4* U B2563 -833.253 -62.022 93.874 1.00855.43 O ATOM 53967 C3* U B2563 -833.081 -59.717 93.448 1.00855.43 C ATOM 53968 O3* U B2563 -832.594 -58.747 92.531 1.00855.43 O ATOM 53969 C2* U B2563 -834.509 -60.143 93.137 1.00855.43 C ATOM 53970 O2* U B2563 -834.751 -60.268 91.750 1.00855.43 O ATOM 53971 C1* U B2563 -834.575 -61.519 93.797 1.00855.43 C ATOM 53972 N1 U B2563 -835.113 -61.457 95.161 1.00855.43 N ATOM 53973 C2 U B2563 -836.459 -61.176 95.314 1.00855.43 C ATOM 53974 O2 U B2563 -837.208 -60.991 94.372 1.00855.43 O ATOM 53975 N3 U B2563 -836.894 -61.121 96.617 1.00855.43 N ATOM 53976 C4 U B2563 -836.135 -61.313 97.756 1.00855.43 C ATOM 53977 O4 U B2563 -836.668 -61.225 98.861 1.00855.43 O ATOM 53978 C5 U B2563 -834.755 -61.601 97.509 1.00855.43 C ATOM 53979 C6 U B2563 -834.306 -61.662 96.253 1.00855.43 C ATOM 53980 P U B2564 -833.186 -57.254 92.565 1.00855.43 P ATOM 53981 O1P U B2564 -832.427 -56.435 91.588 1.00855.43 O ATOM 53982 O2P U B2564 -833.265 -56.819 93.985 1.00855.43 O ATOM 53983 O5* U B2564 -834.672 -57.440 92.027 1.00855.43 O ATOM 53984 C5* U B2564 -835.549 -56.326 91.906 1.00855.43 C ATOM 53985 C4* U B2564 -836.936 -56.704 92.371 1.00855.43 C ATOM 53986 O4* U B2564 -837.510 -57.647 91.443 1.00855.43 O ATOM 53987 C3* U B2564 -837.026 -57.382 93.712 1.00855.43 C ATOM 53988 O3* U B2564 -837.145 -56.392 94.714 1.00855.43 O ATOM 53989 C2* U B2564 -838.359 -58.122 93.620 1.00855.43 C ATOM 53990 O2* U B2564 -839.454 -57.316 94.006 1.00855.43 O ATOM 53991 C1* U B2564 -838.475 -58.413 92.126 1.00855.43 C ATOM 53992 N1 U B2564 -838.361 -59.826 91.738 1.00855.43 N ATOM 53993 C2 U B2564 -839.279 -60.675 92.296 1.00855.43 C ATOM 53994 O2 U B2564 -840.065 -60.312 93.150 1.00855.43 O ATOM 53995 N3 U B2564 -839.241 -61.963 91.825 1.00855.43 N ATOM 53996 C4 U B2564 -838.382 -62.479 90.876 1.00855.43 C ATOM 53997 O4 U B2564 -838.615 -63.589 90.399 1.00855.43 O ATOM 53998 C5 U B2564 -837.408 -61.546 90.394 1.00855.43 C ATOM 53999 C6 U B2564 -837.425 -60.280 90.835 1.00855.43 C ATOM 54000 P C B2565 -836.852 -56.750 96.251 1.00855.43 P ATOM 54001 O1P C B2565 -835.431 -56.430 96.532 1.00855.43 O ATOM 54002 O2P C B2565 -837.373 -58.112 96.522 1.00855.43 O ATOM 54003 O5* C B2565 -837.777 -55.687 96.986 1.00855.43 O ATOM 54004 C5* C B2565 -839.140 -55.575 96.595 1.00855.43 C ATOM 54005 C4* C B2565 -839.474 -54.173 96.155 1.00855.43 C ATOM 54006 O4* C B2565 -840.787 -54.127 95.536 1.00855.43 O ATOM 54007 C3* C B2565 -839.621 -53.142 97.250 1.00855.43 C ATOM 54008 O3* C B2565 -838.339 -52.701 97.674 1.00855.43 O ATOM 54009 C2* C B2565 -840.426 -52.025 96.596 1.00855.43 C ATOM 54010 O2* C B2565 -839.610 -51.115 95.885 1.00855.43 O ATOM 54011 C1* C B2565 -841.292 -52.802 95.604 1.00855.43 C ATOM 54012 N1 C B2565 -842.700 -52.842 96.030 1.00855.43 N ATOM 54013 C2 C B2565 -843.647 -52.160 95.256 1.00855.43 C ATOM 54014 O2 C B2565 -843.270 -51.579 94.225 1.00855.43 O ATOM 54015 N3 C B2565 -844.940 -52.154 95.644 1.00855.43 N ATOM 54016 C4 C B2565 -845.306 -52.795 96.755 1.00855.43 C ATOM 54017 N4 C B2565 -846.592 -52.748 97.108 1.00855.43 N ATOM 54018 C5 C B2565 -844.365 -53.508 97.557 1.00855.43 C ATOM 54019 C6 C B2565 -843.086 -53.506 97.160 1.00855.43 C ATOM 54020 P A B2566 -837.996 -52.651 99.237 1.00855.43 P ATOM 54021 O1P A B2566 -836.981 -53.701 99.515 1.00855.43 O ATOM 54022 O2P A B2566 -839.278 -52.661 99.987 1.00855.43 O ATOM 54023 O5* A B2566 -837.319 -51.225 99.425 1.00855.43 O ATOM 54024 C5* A B2566 -836.543 -50.648 98.379 1.00855.43 C ATOM 54025 C4* A B2566 -837.116 -49.311 97.981 1.00855.43 C ATOM 54026 O4* A B2566 -838.521 -49.451 97.659 1.00855.43 O ATOM 54027 C3* A B2566 -837.030 -48.219 99.038 1.00855.43 C ATOM 54028 O3* A B2566 -835.782 -47.551 98.870 1.00855.43 O ATOM 54029 C2* A B2566 -838.214 -47.321 98.698 1.00855.43 C ATOM 54030 O2* A B2566 -837.907 -46.374 97.698 1.00855.43 O ATOM 54031 C1* A B2566 -839.231 -48.327 98.145 1.00855.43 C ATOM 54032 N9 A B2566 -840.210 -48.790 99.126 1.00855.43 N ATOM 54033 C8 A B2566 -840.104 -48.802 100.496 1.00855.43 C ATOM 54034 N7 A B2566 -841.158 -49.292 101.104 1.00855.43 N ATOM 54035 C5 A B2566 -842.019 -49.621 100.066 1.00855.43 C ATOM 54036 C6 A B2566 -843.307 -50.183 100.045 1.00855.43 C ATOM 54037 N6 A B2566 -843.981 -50.535 101.141 1.00855.43 N ATOM 54038 N1 A B2566 -843.888 -50.379 98.841 1.00855.43 N ATOM 54039 C2 A B2566 -843.209 -50.031 97.740 1.00855.43 C ATOM 54040 N3 A B2566 -841.997 -49.497 97.629 1.00855.43 N ATOM 54041 C4 A B2566 -841.449 -49.316 98.841 1.00855.43 C ATOM 54042 P G B2567 -835.416 -46.299 99.810 1.00855.43 P ATOM 54043 O1P G B2567 -836.508 -45.304 99.670 1.00855.43 O ATOM 54044 O2P G B2567 -834.014 -45.897 99.524 1.00855.43 O ATOM 54045 O5* G B2567 -835.474 -46.892 101.287 1.00855.43 O ATOM 54046 C5* G B2567 -835.335 -46.043 102.421 1.00855.43 C ATOM 54047 C4* G B2567 -834.051 -46.362 103.150 1.00855.43 C ATOM 54048 O4* G B2567 -834.047 -47.765 103.522 1.00855.43 O ATOM 54049 C3* G B2567 -832.766 -46.178 102.362 1.00855.43 C ATOM 54050 O3* G B2567 -832.323 -44.825 102.363 1.00855.43 O ATOM 54051 C2* G B2567 -831.798 -47.117 103.072 1.00855.43 C ATOM 54052 O2* G B2567 -831.234 -46.536 104.230 1.00855.43 O ATOM 54053 C1* G B2567 -832.724 -48.269 103.470 1.00855.43 C ATOM 54054 N9 G B2567 -832.696 -49.357 102.495 1.00855.43 N ATOM 54055 C8 G B2567 -833.505 -49.497 101.393 1.00855.43 C ATOM 54056 N7 G B2567 -833.238 -50.570 100.696 1.00855.43 N ATOM 54057 C5 G B2567 -832.189 -51.170 101.379 1.00855.43 C ATOM 54058 C6 G B2567 -831.475 -52.361 101.097 1.00855.43 C ATOM 54059 O6 G B2567 -831.625 -53.147 100.156 1.00855.43 O ATOM 54060 N1 G B2567 -830.490 -52.604 102.050 1.00855.43 N ATOM 54061 C2 G B2567 -830.228 -51.803 103.134 1.00855.43 C ATOM 54062 N2 G B2567 -829.235 -52.211 103.944 1.00855.43 N ATOM 54063 N3 G B2567 -830.885 -50.691 103.408 1.00855.43 N ATOM 54064 C4 G B2567 -831.845 -50.434 102.495 1.00855.43 C ATOM 54065 P A B2568 -831.233 -44.351 101.284 1.00855.43 P ATOM 54066 O1P A B2568 -830.970 -42.909 101.515 1.00855.43 O ATOM 54067 O2P A B2568 -831.670 -44.810 99.940 1.00855.43 O ATOM 54068 O5* A B2568 -829.922 -45.163 101.686 1.00855.43 O ATOM 54069 C5* A B2568 -829.207 -44.836 102.871 1.00855.43 C ATOM 54070 C4* A B2568 -828.150 -45.878 103.155 1.00855.43 C ATOM 54071 O4* A B2568 -828.750 -47.199 103.223 1.00855.43 O ATOM 54072 C3* A B2568 -827.063 -46.018 102.111 1.00855.43 C ATOM 54073 O3* A B2568 -826.057 -45.031 102.290 1.00855.43 O ATOM 54074 C2* A B2568 -826.544 -47.429 102.351 1.00855.43 C ATOM 54075 O2* A B2568 -825.603 -47.494 103.402 1.00855.43 O ATOM 54076 C1* A B2568 -827.820 -48.164 102.758 1.00855.43 C ATOM 54077 N9 A B2568 -828.410 -48.883 101.630 1.00855.43 N ATOM 54078 C8 A B2568 -829.461 -48.516 100.824 1.00855.43 C ATOM 54079 N7 A B2568 -829.723 -49.381 99.871 1.00855.43 N ATOM 54080 C5 A B2568 -828.783 -50.382 100.063 1.00855.43 C ATOM 54081 C6 A B2568 -828.522 -51.588 99.381 1.00855.43 C ATOM 54082 N6 A B2568 -829.210 -52.011 98.315 1.00855.43 N ATOM 54083 N1 A B2568 -827.511 -52.361 99.836 1.00855.43 N ATOM 54084 C2 A B2568 -826.816 -51.944 100.900 1.00855.43 C ATOM 54085 N3 A B2568 -826.962 -50.837 101.623 1.00855.43 N ATOM 54086 C4 A B2568 -827.973 -50.092 101.147 1.00855.43 C ATOM 54087 P A B2569 -825.088 -44.663 101.064 1.00855.43 P ATOM 54088 O1P A B2569 -824.200 -43.561 101.509 1.00855.43 O ATOM 54089 O2P A B2569 -825.920 -44.491 99.847 1.00855.43 O ATOM 54090 O5* A B2569 -824.203 -45.973 100.883 1.00855.43 O ATOM 54091 C5* A B2569 -823.140 -46.253 101.782 1.00855.43 C ATOM 54092 C4* A B2569 -822.340 -47.441 101.307 1.00855.43 C ATOM 54093 O4* A B2569 -823.147 -48.644 101.329 1.00855.43 O ATOM 54094 C3* A B2569 -821.775 -47.384 99.897 1.00855.43 C ATOM 54095 O3* A B2569 -820.578 -46.617 99.843 1.00855.43 O ATOM 54096 C2* A B2569 -821.538 -48.858 99.582 1.00855.43 C ATOM 54097 O2* A B2569 -820.314 -49.330 100.107 1.00855.43 O ATOM 54098 C1* A B2569 -822.691 -49.534 100.326 1.00855.43 C ATOM 54099 N9 A B2569 -823.815 -49.893 99.460 1.00855.43 N ATOM 54100 C8 A B2569 -825.014 -49.241 99.295 1.00855.43 C ATOM 54101 N7 A B2569 -825.816 -49.823 98.435 1.00855.43 N ATOM 54102 C5 A B2569 -825.100 -50.934 98.007 1.00855.43 C ATOM 54103 C6 A B2569 -825.399 -51.961 97.091 1.00855.43 C ATOM 54104 N6 A B2569 -826.545 -52.046 96.414 1.00855.43 N ATOM 54105 N1 A B2569 -824.464 -52.916 96.896 1.00855.43 N ATOM 54106 C2 A B2569 -823.314 -52.837 97.575 1.00855.43 C ATOM 54107 N3 A B2569 -822.917 -51.922 98.458 1.00855.43 N ATOM 54108 C4 A B2569 -823.867 -50.988 98.631 1.00855.43 C ATOM 54109 P C B2570 -820.102 -45.985 98.443 1.00855.43 P ATOM 54110 O1P C B2570 -818.899 -45.157 98.716 1.00855.43 O ATOM 54111 O2P C B2570 -821.275 -45.377 97.769 1.00855.43 O ATOM 54112 O5* C B2570 -819.641 -47.256 97.604 1.00855.43 O ATOM 54113 C5* C B2570 -818.543 -48.042 98.044 1.00855.43 C ATOM 54114 C4* C B2570 -818.248 -49.143 97.058 1.00855.43 C ATOM 54115 O4* C B2570 -819.342 -50.098 97.021 1.00855.43 O ATOM 54116 C3* C B2570 -818.072 -48.737 95.618 1.00855.43 C ATOM 54117 O3* C B2570 -816.753 -48.251 95.419 1.00855.43 O ATOM 54118 C2* C B2570 -818.332 -50.036 94.868 1.00855.43 C ATOM 54119 O2* C B2570 -817.198 -50.871 94.877 1.00855.43 O ATOM 54120 C1* C B2570 -819.401 -50.695 95.738 1.00855.43 C ATOM 54121 N1 C B2570 -820.755 -50.523 95.187 1.00855.43 N ATOM 54122 C2 C B2570 -821.250 -51.490 94.303 1.00855.43 C ATOM 54123 O2 C B2570 -820.531 -52.460 94.014 1.00855.43 O ATOM 54124 N3 C B2570 -822.489 -51.343 93.787 1.00855.43 N ATOM 54125 C4 C B2570 -823.229 -50.285 94.123 1.00855.43 C ATOM 54126 N4 C B2570 -824.453 -50.183 93.593 1.00855.43 N ATOM 54127 C5 C B2570 -822.753 -49.283 95.019 1.00855.43 C ATOM 54128 C6 C B2570 -821.521 -49.444 95.525 1.00855.43 C ATOM 54129 P G B2571 -816.444 -47.297 94.160 1.00855.43 P ATOM 54130 O1P G B2571 -814.996 -46.970 94.192 1.00855.43 O ATOM 54131 O2P G B2571 -817.447 -46.201 94.155 1.00855.43 O ATOM 54132 O5* G B2571 -816.718 -48.229 92.895 1.00855.43 O ATOM 54133 C5* G B2571 -815.806 -49.262 92.550 1.00855.43 C ATOM 54134 C4* G B2571 -816.234 -49.941 91.274 1.00855.43 C ATOM 54135 O4* G B2571 -817.368 -50.814 91.512 1.00855.43 O ATOM 54136 C3* G B2571 -816.674 -49.029 90.136 1.00855.43 C ATOM 54137 O3* G B2571 -815.563 -48.519 89.413 1.00855.43 O ATOM 54138 C2* G B2571 -817.563 -49.948 89.301 1.00855.43 C ATOM 54139 O2* G B2571 -816.818 -50.772 88.427 1.00855.43 O ATOM 54140 C1* G B2571 -818.219 -50.814 90.378 1.00855.43 C ATOM 54141 N9 G B2571 -819.531 -50.330 90.786 1.00855.43 N ATOM 54142 C8 G B2571 -819.815 -49.525 91.865 1.00855.43 C ATOM 54143 N7 G B2571 -821.086 -49.254 91.981 1.00855.43 N ATOM 54144 C5 G B2571 -821.681 -49.916 90.913 1.00855.43 C ATOM 54145 C6 G B2571 -823.042 -49.979 90.516 1.00855.43 C ATOM 54146 O6 G B2571 -824.025 -49.450 91.042 1.00855.43 O ATOM 54147 N1 G B2571 -823.204 -50.759 89.375 1.00855.43 N ATOM 54148 C2 G B2571 -822.190 -51.393 88.702 1.00855.43 C ATOM 54149 N2 G B2571 -822.558 -52.101 87.621 1.00855.43 N ATOM 54150 N3 G B2571 -820.914 -51.339 89.061 1.00855.43 N ATOM 54151 C4 G B2571 -820.735 -50.585 90.168 1.00855.43 C ATOM 54152 P U B2572 -815.158 -46.974 89.572 1.00855.43 P ATOM 54153 O1P U B2572 -813.707 -46.861 89.282 1.00855.43 O ATOM 54154 O2P U B2572 -815.689 -46.483 90.870 1.00855.43 O ATOM 54155 O5* U B2572 -815.958 -46.253 88.400 1.00855.43 O ATOM 54156 C5* U B2572 -815.302 -45.905 87.189 1.00855.43 C ATOM 54157 C4* U B2572 -816.211 -46.149 86.012 1.00855.43 C ATOM 54158 O4* U B2572 -817.026 -47.328 86.259 1.00855.43 O ATOM 54159 C3* U B2572 -817.229 -45.048 85.725 1.00855.43 C ATOM 54160 O3* U B2572 -816.684 -43.971 84.974 1.00855.43 O ATOM 54161 C2* U B2572 -818.315 -45.802 84.971 1.00855.43 C ATOM 54162 O2* U B2572 -818.003 -45.986 83.605 1.00855.43 O ATOM 54163 C1* U B2572 -818.312 -47.150 85.690 1.00855.43 C ATOM 54164 N1 U B2572 -819.303 -47.187 86.774 1.00855.43 N ATOM 54165 C2 U B2572 -820.628 -47.383 86.431 1.00855.43 C ATOM 54166 O2 U B2572 -820.998 -47.554 85.284 1.00855.43 O ATOM 54167 N3 U B2572 -821.506 -47.375 87.485 1.00855.43 N ATOM 54168 C4 U B2572 -821.198 -47.197 88.822 1.00855.43 C ATOM 54169 O4 U B2572 -822.105 -47.204 89.658 1.00855.43 O ATOM 54170 C5 U B2572 -819.807 -47.012 89.095 1.00855.43 C ATOM 54171 C6 U B2572 -818.930 -47.016 88.087 1.00855.43 C ATOM 54172 P C B2573 -817.026 -42.466 85.403 1.00855.43 P ATOM 54173 O1P C B2573 -815.933 -41.592 84.911 1.00855.43 O ATOM 54174 O2P C B2573 -817.377 -42.462 86.847 1.00855.43 O ATOM 54175 O5* C B2573 -818.344 -42.140 84.574 1.00855.43 O ATOM 54176 C5* C B2573 -818.536 -42.682 83.271 1.00855.43 C ATOM 54177 C4* C B2573 -819.985 -43.043 83.068 1.00855.43 C ATOM 54178 O4* C B2573 -820.386 -44.054 84.031 1.00855.43 O ATOM 54179 C3* C B2573 -820.951 -41.904 83.281 1.00855.43 C ATOM 54180 O3* C B2573 -821.046 -41.140 82.094 1.00855.43 O ATOM 54181 C2* C B2573 -822.244 -42.615 83.654 1.00855.43 C ATOM 54182 O2* C B2573 -822.957 -43.071 82.522 1.00855.43 O ATOM 54183 C1* C B2573 -821.718 -43.808 84.454 1.00855.43 C ATOM 54184 N1 C B2573 -821.688 -43.514 85.895 1.00855.43 N ATOM 54185 C2 C B2573 -822.841 -43.730 86.652 1.00855.43 C ATOM 54186 O2 C B2573 -823.851 -44.187 86.092 1.00855.43 O ATOM 54187 N3 C B2573 -822.834 -43.433 87.971 1.00855.43 N ATOM 54188 C4 C B2573 -821.727 -42.946 88.537 1.00855.43 C ATOM 54189 N4 C B2573 -821.766 -42.654 89.839 1.00855.43 N ATOM 54190 C5 C B2573 -820.532 -42.729 87.791 1.00855.43 C ATOM 54191 C6 C B2573 -820.558 -43.026 86.487 1.00855.43 C ATOM 54192 P G B2574 -821.882 -39.768 82.111 1.00855.43 P ATOM 54193 O1P G B2574 -821.501 -38.985 80.909 1.00855.43 O ATOM 54194 O2P G B2574 -821.741 -39.161 83.459 1.00855.43 O ATOM 54195 O5* G B2574 -823.391 -40.248 81.945 1.00855.43 O ATOM 54196 C5* G B2574 -824.286 -39.545 81.091 1.00855.43 C ATOM 54197 C4* G B2574 -825.188 -38.650 81.903 1.00855.43 C ATOM 54198 O4* G B2574 -825.841 -39.412 82.950 1.00855.43 O ATOM 54199 C3* G B2574 -824.465 -37.525 82.631 1.00855.43 C ATOM 54200 O3* G B2574 -824.229 -36.393 81.805 1.00855.43 O ATOM 54201 C2* G B2574 -825.409 -37.227 83.793 1.00855.43 C ATOM 54202 O2* G B2574 -826.479 -36.378 83.422 1.00855.43 O ATOM 54203 C1* G B2574 -825.942 -38.622 84.123 1.00855.43 C ATOM 54204 N9 G B2574 -825.159 -39.262 85.174 1.00855.43 N ATOM 54205 C8 G B2574 -824.181 -40.213 85.019 1.00855.43 C ATOM 54206 N7 G B2574 -823.627 -40.571 86.144 1.00855.43 N ATOM 54207 C5 G B2574 -824.282 -39.809 87.105 1.00855.43 C ATOM 54208 C6 G B2574 -824.107 -39.757 88.511 1.00855.43 C ATOM 54209 O6 G B2574 -823.311 -40.390 89.216 1.00855.43 O ATOM 54210 N1 G B2574 -824.985 -38.854 89.101 1.00855.43 N ATOM 54211 C2 G B2574 -825.909 -38.097 88.427 1.00855.43 C ATOM 54212 N2 G B2574 -826.667 -37.283 89.176 1.00855.43 N ATOM 54213 N3 G B2574 -826.079 -38.131 87.115 1.00855.43 N ATOM 54214 C4 G B2574 -825.235 -39.005 86.525 1.00855.43 C ATOM 54215 P U B2575 -822.916 -35.498 82.051 1.00855.43 P ATOM 54216 O1P U B2575 -823.129 -34.192 81.382 1.00855.43 O ATOM 54217 O2P U B2575 -821.725 -36.317 81.702 1.00855.43 O ATOM 54218 O5* U B2575 -822.914 -35.265 83.625 1.00855.43 O ATOM 54219 C5* U B2575 -821.733 -34.864 84.315 1.00855.43 C ATOM 54220 C4* U B2575 -822.068 -33.797 85.324 1.00855.43 C ATOM 54221 O4* U B2575 -822.811 -32.749 84.658 1.00855.43 O ATOM 54222 C3* U B2575 -822.951 -34.210 86.483 1.00855.43 C ATOM 54223 O3* U B2575 -822.133 -34.747 87.519 1.00855.43 O ATOM 54224 C2* U B2575 -823.626 -32.906 86.890 1.00855.43 C ATOM 54225 O2* U B2575 -822.826 -32.126 87.758 1.00855.43 O ATOM 54226 C1* U B2575 -823.766 -32.192 85.544 1.00855.43 C ATOM 54227 N1 U B2575 -825.087 -32.356 84.923 1.00855.43 N ATOM 54228 C2 U B2575 -826.161 -31.695 85.489 1.00855.43 C ATOM 54229 O2 U B2575 -826.054 -30.989 86.478 1.00855.43 O ATOM 54230 N3 U B2575 -827.361 -31.894 84.856 1.00855.43 N ATOM 54231 C4 U B2575 -827.594 -32.670 83.738 1.00855.43 C ATOM 54232 O4 U B2575 -828.737 -32.748 83.282 1.00855.43 O ATOM 54233 C5 U B2575 -826.435 -33.320 83.211 1.00855.43 C ATOM 54234 C6 U B2575 -825.251 -33.147 83.808 1.00855.43 C ATOM 54235 P G B2576 -822.678 -35.967 88.414 1.00855.43 P ATOM 54236 O1P G B2576 -821.624 -36.306 89.400 1.00855.43 O ATOM 54237 O2P G B2576 -823.192 -37.016 87.498 1.00855.43 O ATOM 54238 O5* G B2576 -823.919 -35.347 89.202 1.00855.43 O ATOM 54239 C5* G B2576 -823.730 -34.660 90.438 1.00855.43 C ATOM 54240 C4* G B2576 -825.052 -34.109 90.922 1.00855.43 C ATOM 54241 O4* G B2576 -825.593 -33.225 89.908 1.00855.43 O ATOM 54242 C3* G B2576 -826.153 -35.120 91.177 1.00855.43 C ATOM 54243 O3* G B2576 -826.047 -35.701 92.473 1.00855.43 O ATOM 54244 C2* G B2576 -827.416 -34.295 90.995 1.00855.43 C ATOM 54245 O2* G B2576 -827.744 -33.557 92.154 1.00855.43 O ATOM 54246 C1* G B2576 -827.005 -33.342 89.873 1.00855.43 C ATOM 54247 N9 G B2576 -827.364 -33.847 88.551 1.00855.43 N ATOM 54248 C8 G B2576 -826.522 -34.471 87.663 1.00855.43 C ATOM 54249 N7 G B2576 -827.111 -34.819 86.551 1.00855.43 N ATOM 54250 C5 G B2576 -828.424 -34.399 86.716 1.00855.43 C ATOM 54251 C6 G B2576 -829.533 -34.502 85.839 1.00855.43 C ATOM 54252 O6 G B2576 -829.577 -35.002 84.709 1.00855.43 O ATOM 54253 N1 G B2576 -830.679 -33.951 86.398 1.00855.43 N ATOM 54254 C2 G B2576 -830.751 -33.371 87.638 1.00855.43 C ATOM 54255 N2 G B2576 -831.954 -32.895 87.993 1.00855.43 N ATOM 54256 N3 G B2576 -829.723 -33.264 88.468 1.00855.43 N ATOM 54257 C4 G B2576 -828.598 -33.796 87.943 1.00855.43 C ATOM 54258 P A B2577 -826.774 -37.105 92.777 1.00855.43 P ATOM 54259 O1P A B2577 -826.482 -37.469 94.184 1.00855.43 O ATOM 54260 O2P A B2577 -826.418 -38.049 91.687 1.00855.43 O ATOM 54261 O5* A B2577 -828.329 -36.776 92.658 1.00855.43 O ATOM 54262 C5* A B2577 -829.026 -36.118 93.714 1.00855.43 C ATOM 54263 C4* A B2577 -830.457 -35.861 93.307 1.00855.43 C ATOM 54264 O4* A B2577 -830.464 -35.144 92.050 1.00855.43 O ATOM 54265 C3* A B2577 -831.340 -37.098 93.064 1.00855.43 C ATOM 54266 O3* A B2577 -831.924 -37.641 94.244 1.00855.43 O ATOM 54267 C2* A B2577 -832.379 -36.569 92.076 1.00855.43 C ATOM 54268 O2* A B2577 -833.441 -35.891 92.713 1.00855.43 O ATOM 54269 C1* A B2577 -831.553 -35.577 91.252 1.00855.43 C ATOM 54270 N9 A B2577 -830.999 -36.145 90.024 1.00855.43 N ATOM 54271 C8 A B2577 -829.694 -36.513 89.792 1.00855.43 C ATOM 54272 N7 A B2577 -829.484 -36.981 88.588 1.00855.43 N ATOM 54273 C5 A B2577 -830.733 -36.922 87.986 1.00855.43 C ATOM 54274 C6 A B2577 -831.178 -37.273 86.700 1.00855.43 C ATOM 54275 N6 A B2577 -830.382 -37.774 85.750 1.00855.43 N ATOM 54276 N1 A B2577 -832.485 -37.091 86.416 1.00855.43 N ATOM 54277 C2 A B2577 -833.283 -36.586 87.368 1.00855.43 C ATOM 54278 N3 A B2577 -832.980 -36.216 88.613 1.00855.43 N ATOM 54279 C4 A B2577 -831.676 -36.412 88.858 1.00855.43 C ATOM 54280 P G B2578 -832.780 -38.999 94.159 1.00855.43 P ATOM 54281 O1P G B2578 -834.215 -38.635 94.299 1.00855.43 O ATOM 54282 O2P G B2578 -832.184 -39.991 95.086 1.00855.43 O ATOM 54283 O5* G B2578 -832.541 -39.496 92.667 1.00855.43 O ATOM 54284 C5* G B2578 -832.511 -40.883 92.343 1.00855.43 C ATOM 54285 C4* G B2578 -832.142 -41.060 90.892 1.00855.43 C ATOM 54286 O4* G B2578 -830.942 -40.301 90.611 1.00855.43 O ATOM 54287 C3* G B2578 -831.806 -42.466 90.462 1.00855.43 C ATOM 54288 O3* G B2578 -833.001 -43.173 90.158 1.00855.43 O ATOM 54289 C2* G B2578 -830.918 -42.246 89.244 1.00855.43 C ATOM 54290 O2* G B2578 -831.655 -42.021 88.057 1.00855.43 O ATOM 54291 C1* G B2578 -830.167 -40.972 89.637 1.00855.43 C ATOM 54292 N9 G B2578 -828.881 -41.276 90.251 1.00855.43 N ATOM 54293 C8 G B2578 -828.566 -41.184 91.584 1.00855.43 C ATOM 54294 N7 G B2578 -827.347 -41.561 91.847 1.00855.43 N ATOM 54295 C5 G B2578 -826.820 -41.911 90.612 1.00855.43 C ATOM 54296 C6 G B2578 -825.537 -42.399 90.268 1.00855.43 C ATOM 54297 O6 G B2578 -824.572 -42.630 91.006 1.00855.43 O ATOM 54298 N1 G B2578 -825.428 -42.625 88.899 1.00855.43 N ATOM 54299 C2 G B2578 -826.425 -42.409 87.983 1.00855.43 C ATOM 54300 N2 G B2578 -826.129 -42.690 86.705 1.00855.43 N ATOM 54301 N3 G B2578 -827.628 -41.956 88.292 1.00855.43 N ATOM 54302 C4 G B2578 -827.754 -41.731 89.615 1.00855.43 C ATOM 54303 P A B2579 -832.964 -44.777 90.056 1.00855.43 P ATOM 54304 O1P A B2579 -834.356 -45.242 89.830 1.00855.43 O ATOM 54305 O2P A B2579 -832.199 -45.294 91.219 1.00855.43 O ATOM 54306 O5* A B2579 -832.120 -45.065 88.735 1.00855.43 O ATOM 54307 C5* A B2579 -832.746 -45.080 87.457 1.00855.43 C ATOM 54308 C4* A B2579 -831.902 -45.837 86.457 1.00855.43 C ATOM 54309 O4* A B2579 -830.641 -45.155 86.254 1.00855.43 O ATOM 54310 C3* A B2579 -831.529 -47.265 86.846 1.00855.43 C ATOM 54311 O3* A B2579 -832.549 -48.197 86.493 1.00855.43 O ATOM 54312 C2* A B2579 -830.249 -47.504 86.055 1.00855.43 C ATOM 54313 O2* A B2579 -830.499 -47.913 84.724 1.00855.43 O ATOM 54314 C1* A B2579 -829.614 -46.109 86.039 1.00855.43 C ATOM 54315 N9 A B2579 -828.571 -45.917 87.047 1.00855.43 N ATOM 54316 C8 A B2579 -828.686 -45.400 88.315 1.00855.43 C ATOM 54317 N7 A B2579 -827.550 -45.350 88.968 1.00855.43 N ATOM 54318 C5 A B2579 -826.625 -45.874 88.074 1.00855.43 C ATOM 54319 C6 A B2579 -825.238 -46.094 88.161 1.00855.43 C ATOM 54320 N6 A B2579 -824.504 -45.797 89.237 1.00855.43 N ATOM 54321 N1 A B2579 -824.621 -46.636 87.091 1.00855.43 N ATOM 54322 C2 A B2579 -825.353 -46.933 86.011 1.00855.43 C ATOM 54323 N3 A B2579 -826.659 -46.771 85.807 1.00855.43 N ATOM 54324 C4 A B2579 -827.243 -46.231 86.889 1.00855.43 C ATOM 54325 P C B2580 -832.789 -49.500 87.399 1.00855.43 P ATOM 54326 O1P C B2580 -834.125 -50.048 87.045 1.00855.43 O ATOM 54327 O2P C B2580 -832.494 -49.148 88.812 1.00855.43 O ATOM 54328 O5* C B2580 -831.683 -50.537 86.901 1.00855.43 O ATOM 54329 C5* C B2580 -831.805 -51.193 85.640 1.00855.43 C ATOM 54330 C4* C B2580 -830.642 -52.137 85.432 1.00855.43 C ATOM 54331 O4* C B2580 -829.424 -51.362 85.295 1.00855.43 O ATOM 54332 C3* C B2580 -830.392 -53.112 86.585 1.00855.43 C ATOM 54333 O3* C B2580 -831.070 -54.350 86.390 1.00855.43 O ATOM 54334 C2* C B2580 -828.888 -53.361 86.497 1.00855.43 C ATOM 54335 O2* C B2580 -828.563 -54.385 85.580 1.00855.43 O ATOM 54336 C1* C B2580 -828.366 -52.026 85.955 1.00855.43 C ATOM 54337 N1 C B2580 -827.795 -51.122 86.965 1.00855.43 N ATOM 54338 C2 C B2580 -826.433 -51.226 87.269 1.00855.43 C ATOM 54339 O2 C B2580 -825.759 -52.096 86.701 1.00855.43 O ATOM 54340 N3 C B2580 -825.892 -50.380 88.175 1.00855.43 N ATOM 54341 C4 C B2580 -826.658 -49.462 88.771 1.00855.43 C ATOM 54342 N4 C B2580 -826.078 -48.641 89.649 1.00855.43 N ATOM 54343 C5 C B2580 -828.051 -49.342 88.487 1.00855.43 C ATOM 54344 C6 C B2580 -828.575 -50.184 87.588 1.00855.43 C ATOM 54345 P A B2581 -831.853 -55.043 87.605 1.00855.43 P ATOM 54346 O1P A B2581 -833.284 -54.805 87.334 1.00855.43 O ATOM 54347 O2P A B2581 -831.266 -54.616 88.900 1.00855.43 O ATOM 54348 O5* A B2581 -831.627 -56.607 87.413 1.00855.43 O ATOM 54349 C5* A B2581 -832.689 -57.433 86.933 1.00855.43 C ATOM 54350 C4* A B2581 -832.155 -58.770 86.485 1.00855.43 C ATOM 54351 O4* A B2581 -833.251 -59.682 86.226 1.00855.43 O ATOM 54352 C3* A B2581 -831.340 -58.762 85.210 1.00855.43 C ATOM 54353 O3* A B2581 -829.986 -58.415 85.479 1.00855.43 O ATOM 54354 C2* A B2581 -831.484 -60.195 84.705 1.00855.43 C ATOM 54355 O2* A B2581 -830.551 -61.073 85.301 1.00855.43 O ATOM 54356 C1* A B2581 -832.893 -60.564 85.177 1.00855.43 C ATOM 54357 N9 A B2581 -833.914 -60.492 84.128 1.00855.43 N ATOM 54358 C8 A B2581 -835.000 -59.655 84.043 1.00855.43 C ATOM 54359 N7 A B2581 -835.732 -59.852 82.973 1.00855.43 N ATOM 54360 C5 A B2581 -835.087 -60.881 82.309 1.00855.43 C ATOM 54361 C6 A B2581 -835.363 -61.553 81.103 1.00855.43 C ATOM 54362 N6 A B2581 -836.410 -61.276 80.323 1.00855.43 N ATOM 54363 N1 A B2581 -834.517 -62.537 80.726 1.00855.43 N ATOM 54364 C2 A B2581 -833.468 -62.819 81.509 1.00855.43 C ATOM 54365 N3 A B2581 -833.107 -62.258 82.662 1.00855.43 N ATOM 54366 C4 A B2581 -833.965 -61.286 83.010 1.00855.43 C ATOM 54367 P G B2582 -829.122 -57.629 84.379 1.00855.43 P ATOM 54368 O1P G B2582 -829.791 -56.328 84.114 1.00855.43 O ATOM 54369 O2P G B2582 -828.827 -58.544 83.246 1.00855.43 O ATOM 54370 O5* G B2582 -827.756 -57.338 85.144 1.00855.43 O ATOM 54371 C5* G B2582 -827.552 -57.841 86.463 1.00855.43 C ATOM 54372 C4* G B2582 -826.087 -57.827 86.815 1.00855.43 C ATOM 54373 O4* G B2582 -825.567 -56.476 86.703 1.00855.43 O ATOM 54374 C3* G B2582 -825.761 -58.245 88.239 1.00855.43 C ATOM 54375 O3* G B2582 -825.684 -59.661 88.357 1.00855.43 O ATOM 54376 C2* G B2582 -824.429 -57.552 88.498 1.00855.43 C ATOM 54377 O2* G B2582 -823.329 -58.276 87.984 1.00855.43 O ATOM 54378 C1* G B2582 -824.600 -56.249 87.715 1.00855.43 C ATOM 54379 N9 G B2582 -825.076 -55.154 88.555 1.00855.43 N ATOM 54380 C8 G B2582 -826.318 -54.571 88.522 1.00855.43 C ATOM 54381 N7 G B2582 -826.465 -53.621 89.407 1.00855.43 N ATOM 54382 C5 G B2582 -825.241 -53.574 90.061 1.00855.43 C ATOM 54383 C6 G B2582 -824.802 -52.739 91.122 1.00855.43 C ATOM 54384 O6 G B2582 -825.426 -51.849 91.713 1.00855.43 O ATOM 54385 N1 G B2582 -823.491 -53.024 91.486 1.00855.43 N ATOM 54386 C2 G B2582 -822.701 -53.986 90.905 1.00855.43 C ATOM 54387 N2 G B2582 -821.458 -54.104 91.401 1.00855.43 N ATOM 54388 N3 G B2582 -823.098 -54.771 89.916 1.00855.43 N ATOM 54389 C4 G B2582 -824.372 -54.511 89.546 1.00855.43 C ATOM 54390 P U B2583 -826.197 -60.372 89.704 1.00855.43 P ATOM 54391 O1P U B2583 -825.844 -61.810 89.610 1.00855.43 O ATOM 54392 O2P U B2583 -827.610 -59.976 89.938 1.00855.43 O ATOM 54393 O5* U B2583 -825.298 -59.717 90.847 1.00855.43 O ATOM 54394 C5* U B2583 -823.947 -60.124 91.022 1.00855.43 C ATOM 54395 C4* U B2583 -823.438 -59.696 92.379 1.00855.43 C ATOM 54396 O4* U B2583 -823.178 -58.268 92.379 1.00855.43 O ATOM 54397 C3* U B2583 -824.365 -59.867 93.568 1.00855.43 C ATOM 54398 O3* U B2583 -824.389 -61.202 94.060 1.00855.43 O ATOM 54399 C2* U B2583 -823.786 -58.898 94.594 1.00855.43 C ATOM 54400 O2* U B2583 -822.710 -59.456 95.321 1.00855.43 O ATOM 54401 C1* U B2583 -823.268 -57.769 93.702 1.00855.43 C ATOM 54402 N1 U B2583 -824.165 -56.605 93.717 1.00855.43 N ATOM 54403 C2 U B2583 -823.743 -55.481 94.397 1.00855.43 C ATOM 54404 O2 U B2583 -822.661 -55.413 94.952 1.00855.43 O ATOM 54405 N3 U B2583 -824.635 -54.439 94.403 1.00855.43 N ATOM 54406 C4 U B2583 -825.876 -54.403 93.806 1.00855.43 C ATOM 54407 O4 U B2583 -826.575 -53.393 93.921 1.00855.43 O ATOM 54408 C5 U B2583 -826.237 -55.602 93.109 1.00855.43 C ATOM 54409 C6 U B2583 -825.389 -56.635 93.088 1.00855.43 C ATOM 54410 P U B2584 -825.661 -61.713 94.899 1.00855.43 P ATOM 54411 O1P U B2584 -825.505 -63.175 95.096 1.00855.43 O ATOM 54412 O2P U B2584 -826.890 -61.186 94.253 1.00855.43 O ATOM 54413 O5* U B2584 -825.493 -60.998 96.313 1.00855.43 O ATOM 54414 C5* U B2584 -824.348 -61.259 97.118 1.00855.43 C ATOM 54415 C4* U B2584 -824.203 -60.210 98.195 1.00855.43 C ATOM 54416 O4* U B2584 -824.131 -58.881 97.612 1.00855.43 O ATOM 54417 C3* U B2584 -825.310 -60.065 99.222 1.00855.43 C ATOM 54418 O3* U B2584 -825.188 -61.076 100.215 1.00855.43 O ATOM 54419 C2* U B2584 -825.076 -58.672 99.793 1.00855.43 C ATOM 54420 O2* U B2584 -824.130 -58.664 100.842 1.00855.43 O ATOM 54421 C1* U B2584 -824.507 -57.922 98.590 1.00855.43 C ATOM 54422 N1 U B2584 -825.462 -56.975 98.001 1.00855.43 N ATOM 54423 C2 U B2584 -825.475 -55.694 98.519 1.00855.43 C ATOM 54424 O2 U B2584 -824.719 -55.334 99.405 1.00855.43 O ATOM 54425 N3 U B2584 -826.400 -54.848 97.960 1.00855.43 N ATOM 54426 C4 U B2584 -827.297 -55.141 96.958 1.00855.43 C ATOM 54427 O4 U B2584 -828.095 -54.274 96.593 1.00855.43 O ATOM 54428 C5 U B2584 -827.219 -56.486 96.464 1.00855.43 C ATOM 54429 C6 U B2584 -826.325 -57.337 96.988 1.00855.43 C ATOM 54430 P C B2585 -826.409 -61.338 101.224 1.00855.43 P ATOM 54431 O1P C B2585 -826.145 -62.625 101.921 1.00855.43 O ATOM 54432 O2P C B2585 -827.678 -61.159 100.474 1.00855.43 O ATOM 54433 O5* C B2585 -826.289 -60.161 102.286 1.00855.43 O ATOM 54434 C5* C B2585 -825.771 -60.409 103.590 1.00855.43 C ATOM 54435 C4* C B2585 -826.531 -59.603 104.614 1.00855.43 C ATOM 54436 O4* C B2585 -826.249 -58.191 104.429 1.00855.43 O ATOM 54437 C3* C B2585 -828.042 -59.706 104.510 1.00855.43 C ATOM 54438 O3* C B2585 -828.548 -60.850 105.185 1.00855.43 O ATOM 54439 C2* C B2585 -828.507 -58.401 105.143 1.00855.43 C ATOM 54440 O2* C B2585 -828.528 -58.457 106.554 1.00855.43 O ATOM 54441 C1* C B2585 -827.419 -57.432 104.678 1.00855.43 C ATOM 54442 N1 C B2585 -827.804 -56.760 103.428 1.00855.43 N ATOM 54443 C2 C B2585 -828.735 -55.718 103.476 1.00855.43 C ATOM 54444 O2 C B2585 -829.185 -55.364 104.577 1.00855.43 O ATOM 54445 N3 C B2585 -829.118 -55.121 102.323 1.00855.43 N ATOM 54446 C4 C B2585 -828.604 -55.529 101.161 1.00855.43 C ATOM 54447 N4 C B2585 -829.017 -54.925 100.043 1.00855.43 N ATOM 54448 C5 C B2585 -827.643 -56.580 101.086 1.00855.43 C ATOM 54449 C6 C B2585 -827.275 -57.159 102.232 1.00855.43 C ATOM 54450 P G B2586 -829.844 -61.601 104.600 1.00855.43 P ATOM 54451 O1P G B2586 -829.667 -63.057 104.833 1.00855.43 O ATOM 54452 O2P G B2586 -830.085 -61.103 103.222 1.00855.43 O ATOM 54453 O5* G B2586 -831.029 -61.087 105.530 1.00855.43 O ATOM 54454 C5* G B2586 -830.897 -61.105 106.947 1.00855.43 C ATOM 54455 C4* G B2586 -831.708 -59.991 107.570 1.00855.43 C ATOM 54456 O4* G B2586 -831.236 -58.705 107.089 1.00855.43 O ATOM 54457 C3* G B2586 -833.193 -60.000 107.244 1.00855.43 C ATOM 54458 O3* G B2586 -833.921 -60.889 108.081 1.00855.43 O ATOM 54459 C2* G B2586 -833.583 -58.542 107.456 1.00855.43 C ATOM 54460 O2* G B2586 -833.811 -58.231 108.814 1.00855.43 O ATOM 54461 C1* G B2586 -832.332 -57.813 106.966 1.00855.43 C ATOM 54462 N9 G B2586 -832.443 -57.416 105.566 1.00855.43 N ATOM 54463 C8 G B2586 -831.779 -57.959 104.492 1.00855.43 C ATOM 54464 N7 G B2586 -832.108 -57.409 103.357 1.00855.43 N ATOM 54465 C5 G B2586 -833.046 -56.444 103.697 1.00855.43 C ATOM 54466 C6 G B2586 -833.764 -55.530 102.885 1.00855.43 C ATOM 54467 O6 G B2586 -833.716 -55.389 101.657 1.00855.43 O ATOM 54468 N1 G B2586 -834.608 -54.726 103.643 1.00855.43 N ATOM 54469 C2 G B2586 -834.749 -54.791 105.007 1.00855.43 C ATOM 54470 N2 G B2586 -835.613 -53.926 105.555 1.00855.43 N ATOM 54471 N3 G B2586 -834.088 -55.640 105.776 1.00855.43 N ATOM 54472 C4 G B2586 -833.260 -56.429 105.060 1.00855.43 C ATOM 54473 P G B2587 -835.090 -61.793 107.445 1.00855.43 P ATOM 54474 O1P G B2587 -835.721 -62.557 108.551 1.00855.43 O ATOM 54475 O2P G B2587 -834.528 -62.518 106.280 1.00855.43 O ATOM 54476 O5* G B2587 -836.144 -60.732 106.903 1.00855.43 O ATOM 54477 C5* G B2587 -836.736 -59.774 107.778 1.00855.43 C ATOM 54478 C4* G B2587 -837.299 -58.624 106.983 1.00855.43 C ATOM 54479 O4* G B2587 -836.227 -57.984 106.241 1.00855.43 O ATOM 54480 C3* G B2587 -838.292 -59.033 105.935 1.00855.43 C ATOM 54481 O3* G B2587 -839.564 -59.101 106.549 1.00855.43 O ATOM 54482 C2* G B2587 -838.187 -57.924 104.901 1.00855.43 C ATOM 54483 O2* G B2587 -838.944 -56.780 105.245 1.00855.43 O ATOM 54484 C1* G B2587 -836.693 -57.608 104.957 1.00855.43 C ATOM 54485 N9 G B2587 -835.984 -58.418 103.976 1.00855.43 N ATOM 54486 C8 G B2587 -835.260 -59.559 104.226 1.00855.43 C ATOM 54487 N7 G B2587 -834.781 -60.110 103.145 1.00855.43 N ATOM 54488 C5 G B2587 -835.204 -59.276 102.120 1.00855.43 C ATOM 54489 C6 G B2587 -834.995 -59.363 100.724 1.00855.43 C ATOM 54490 O6 G B2587 -834.383 -60.231 100.087 1.00855.43 O ATOM 54491 N1 G B2587 -835.594 -58.302 100.051 1.00855.43 N ATOM 54492 C2 G B2587 -836.304 -57.288 100.645 1.00855.43 C ATOM 54493 N2 G B2587 -836.800 -56.353 99.825 1.00855.43 N ATOM 54494 N3 G B2587 -836.511 -57.199 101.946 1.00855.43 N ATOM 54495 C4 G B2587 -835.937 -58.219 102.619 1.00855.43 C ATOM 54496 P U B2588 -840.427 -60.447 106.412 1.00855.43 P ATOM 54497 O1P U B2588 -839.572 -61.569 106.878 1.00855.43 O ATOM 54498 O2P U B2588 -841.019 -60.491 105.049 1.00855.43 O ATOM 54499 O5* U B2588 -841.595 -60.242 107.472 1.00855.43 O ATOM 54500 C5* U B2588 -842.719 -61.115 107.509 1.00855.43 C ATOM 54501 C4* U B2588 -843.877 -60.419 108.177 1.00855.43 C ATOM 54502 O4* U B2588 -844.075 -59.112 107.581 1.00855.43 O ATOM 54503 C3* U B2588 -845.200 -61.135 108.058 1.00855.43 C ATOM 54504 O3* U B2588 -845.354 -62.067 109.122 1.00855.43 O ATOM 54505 C2* U B2588 -846.203 -59.992 108.201 1.00855.43 C ATOM 54506 O2* U B2588 -846.453 -59.672 109.555 1.00855.43 O ATOM 54507 C1* U B2588 -845.459 -58.819 107.559 1.00855.43 C ATOM 54508 N1 U B2588 -845.883 -58.515 106.184 1.00855.43 N ATOM 54509 C2 U B2588 -846.619 -57.359 105.995 1.00855.43 C ATOM 54510 O2 U B2588 -846.890 -56.595 106.905 1.00855.43 O ATOM 54511 N3 U B2588 -847.025 -57.132 104.704 1.00855.43 N ATOM 54512 C4 U B2588 -846.773 -57.921 103.603 1.00855.43 C ATOM 54513 O4 U B2588 -847.237 -57.598 102.511 1.00855.43 O ATOM 54514 C5 U B2588 -845.990 -59.090 103.875 1.00855.43 C ATOM 54515 C6 U B2588 -845.583 -59.341 105.126 1.00855.43 C ATOM 54516 P C B2589 -845.444 -63.641 108.805 1.00855.43 P ATOM 54517 O1P C B2589 -846.091 -64.286 109.975 1.00855.43 O ATOM 54518 O2P C B2589 -844.105 -64.106 108.361 1.00855.43 O ATOM 54519 O5* C B2589 -846.441 -63.744 107.569 1.00855.43 O ATOM 54520 C5* C B2589 -847.840 -63.545 107.736 1.00855.43 C ATOM 54521 C4* C B2589 -848.523 -63.506 106.388 1.00855.43 C ATOM 54522 O4* C B2589 -848.016 -62.373 105.636 1.00855.43 O ATOM 54523 C3* C B2589 -848.283 -64.696 105.483 1.00855.43 C ATOM 54524 O3* C B2589 -849.267 -65.667 105.809 1.00855.43 O ATOM 54525 C2* C B2589 -848.514 -64.119 104.095 1.00855.43 C ATOM 54526 O2* C B2589 -849.884 -64.071 103.749 1.00855.43 O ATOM 54527 C1* C B2589 -847.978 -62.696 104.256 1.00855.43 C ATOM 54528 N1 C B2589 -846.586 -62.574 103.792 1.00855.43 N ATOM 54529 C2 C B2589 -846.348 -62.208 102.467 1.00855.43 C ATOM 54530 O2 C B2589 -847.315 -61.969 101.726 1.00855.43 O ATOM 54531 N3 C B2589 -845.072 -62.121 102.024 1.00855.43 N ATOM 54532 C4 C B2589 -844.061 -62.382 102.858 1.00855.43 C ATOM 54533 N4 C B2589 -842.818 -62.297 102.377 1.00855.43 N ATOM 54534 C5 C B2589 -844.278 -62.743 104.215 1.00855.43 C ATOM 54535 C6 C B2589 -845.545 -62.826 104.638 1.00855.43 C ATOM 54536 P U B2590 -849.360 -67.025 104.961 1.00855.43 P ATOM 54537 O1P U B2590 -849.252 -68.156 105.914 1.00855.43 O ATOM 54538 O2P U B2590 -848.426 -66.939 103.811 1.00855.43 O ATOM 54539 O5* U B2590 -850.848 -66.984 104.404 1.00855.43 O ATOM 54540 C5* U B2590 -851.952 -67.000 105.297 1.00855.43 C ATOM 54541 C4* U B2590 -852.572 -65.627 105.397 1.00855.43 C ATOM 54542 O4* U B2590 -852.733 -65.050 104.071 1.00855.43 O ATOM 54543 C3* U B2590 -853.994 -65.642 105.881 1.00855.43 C ATOM 54544 O3* U B2590 -854.007 -65.759 107.301 1.00855.43 O ATOM 54545 C2* U B2590 -854.607 -64.347 105.360 1.00855.43 C ATOM 54546 O2* U B2590 -854.430 -63.261 106.249 1.00855.43 O ATOM 54547 C1* U B2590 -853.795 -64.106 104.085 1.00855.43 C ATOM 54548 N1 U B2590 -854.596 -64.275 102.861 1.00855.43 N ATOM 54549 C2 U B2590 -855.459 -63.250 102.497 1.00855.43 C ATOM 54550 O2 U B2590 -855.578 -62.224 103.142 1.00855.43 O ATOM 54551 N3 U B2590 -856.180 -63.474 101.349 1.00855.43 N ATOM 54552 C4 U B2590 -856.128 -64.588 100.538 1.00855.43 C ATOM 54553 O4 U B2590 -856.827 -64.635 99.526 1.00855.43 O ATOM 54554 C5 U B2590 -855.217 -65.603 100.978 1.00855.43 C ATOM 54555 C6 U B2590 -854.500 -65.414 102.094 1.00855.43 C ATOM 54556 P C B2591 -854.661 -67.072 107.968 1.00855.43 P ATOM 54557 O1P C B2591 -853.868 -67.423 109.174 1.00855.43 O ATOM 54558 O2P C B2591 -854.820 -68.071 106.882 1.00855.43 O ATOM 54559 O5* C B2591 -856.125 -66.645 108.433 1.00855.43 O ATOM 54560 C5* C B2591 -857.261 -67.232 107.808 1.00855.43 C ATOM 54561 C4* C B2591 -858.137 -66.187 107.141 1.00855.43 C ATOM 54562 O4* C B2591 -857.339 -65.466 106.153 1.00855.43 O ATOM 54563 C3* C B2591 -859.258 -66.712 106.340 1.00855.43 C ATOM 54564 O3* C B2591 -860.277 -67.027 107.253 1.00855.43 O ATOM 54565 C2* C B2591 -859.531 -65.562 105.403 1.00855.43 C ATOM 54566 O2* C B2591 -860.154 -64.464 106.042 1.00855.43 O ATOM 54567 C1* C B2591 -858.107 -65.274 104.975 1.00855.43 C ATOM 54568 N1 C B2591 -857.576 -66.265 104.014 1.00855.43 N ATOM 54569 C2 C B2591 -858.153 -66.459 102.666 1.00855.43 C ATOM 54570 O2 C B2591 -858.913 -65.649 102.123 1.00855.43 O ATOM 54571 N3 C B2591 -857.846 -67.553 101.982 1.00855.43 N ATOM 54572 C4 C B2591 -857.009 -68.431 102.513 1.00855.43 C ATOM 54573 N4 C B2591 -856.946 -69.577 101.880 1.00855.43 N ATOM 54574 C5 C B2591 -856.278 -68.186 103.738 1.00855.43 C ATOM 54575 C6 C B2591 -856.593 -67.102 104.442 1.00855.43 C ATOM 54576 P U B2592 -861.581 -67.780 106.690 1.00855.43 P ATOM 54577 O1P U B2592 -861.140 -68.949 105.902 1.00855.43 O ATOM 54578 O2P U B2592 -862.441 -66.743 106.062 1.00855.43 O ATOM 54579 O5* U B2592 -862.340 -68.285 108.007 1.00855.43 O ATOM 54580 C5* U B2592 -862.577 -69.673 108.234 1.00855.43 C ATOM 54581 C4* U B2592 -863.999 -69.920 108.717 1.00855.43 C ATOM 54582 O4* U B2592 -864.276 -69.206 109.949 1.00855.43 O ATOM 54583 C3* U B2592 -865.092 -69.470 107.784 1.00855.43 C ATOM 54584 O3* U B2592 -865.314 -70.323 106.658 1.00855.43 O ATOM 54585 C2* U B2592 -866.314 -69.266 108.691 1.00855.43 C ATOM 54586 O2* U B2592 -867.190 -70.371 108.786 1.00855.43 O ATOM 54587 C1* U B2592 -865.678 -69.016 110.061 1.00855.43 C ATOM 54588 N1 U B2592 -865.961 -67.700 110.652 1.00855.43 N ATOM 54589 C2 U B2592 -867.225 -67.498 111.180 1.00855.43 C ATOM 54590 O2 U B2592 -868.095 -68.355 111.158 1.00855.43 O ATOM 54591 N3 U B2592 -867.437 -66.258 111.729 1.00855.43 N ATOM 54592 C4 U B2592 -866.531 -65.223 111.806 1.00855.43 C ATOM 54593 O4 U B2592 -866.866 -64.164 112.339 1.00855.43 O ATOM 54594 C5 U B2592 -865.253 -65.506 111.231 1.00855.43 C ATOM 54595 C6 U B2592 -865.018 -66.705 110.687 1.00855.43 C ATOM 54596 P A B2593 -865.455 -71.916 106.856 1.00855.43 P ATOM 54597 O1P A B2593 -865.656 -72.223 108.296 1.00855.43 O ATOM 54598 O2P A B2593 -864.314 -72.534 106.138 1.00855.43 O ATOM 54599 O5* A B2593 -866.781 -72.308 106.064 1.00855.43 O ATOM 54600 C5* A B2593 -866.849 -72.235 104.644 1.00855.43 C ATOM 54601 C4* A B2593 -866.577 -73.595 104.044 1.00855.43 C ATOM 54602 O4* A B2593 -865.173 -73.716 103.722 1.00855.43 O ATOM 54603 C3* A B2593 -866.899 -74.808 104.929 1.00855.43 C ATOM 54604 O3* A B2593 -868.278 -75.177 104.877 1.00855.43 O ATOM 54605 C2* A B2593 -865.976 -75.886 104.356 1.00855.43 C ATOM 54606 O2* A B2593 -866.566 -76.606 103.295 1.00855.43 O ATOM 54607 C1* A B2593 -864.790 -75.067 103.824 1.00855.43 C ATOM 54608 N9 A B2593 -863.521 -75.146 104.548 1.00855.43 N ATOM 54609 C8 A B2593 -863.251 -75.629 105.804 1.00855.43 C ATOM 54610 N7 A B2593 -861.989 -75.520 106.151 1.00855.43 N ATOM 54611 C5 A B2593 -861.388 -74.929 105.047 1.00855.43 C ATOM 54612 C6 A B2593 -860.064 -74.541 104.776 1.00855.43 C ATOM 54613 N6 A B2593 -859.053 -74.694 105.637 1.00855.43 N ATOM 54614 N1 A B2593 -859.806 -73.983 103.573 1.00855.43 N ATOM 54615 C2 A B2593 -860.817 -73.826 102.714 1.00855.43 C ATOM 54616 N3 A B2593 -862.098 -74.145 102.850 1.00855.43 N ATOM 54617 C4 A B2593 -862.322 -74.700 104.052 1.00855.43 C ATOM 54618 P U B2594 -869.192 -75.131 106.204 1.00855.43 P ATOM 54619 O1P U B2594 -868.861 -73.872 106.914 1.00855.43 O ATOM 54620 O2P U B2594 -869.090 -76.426 106.920 1.00855.43 O ATOM 54621 O5* U B2594 -870.669 -74.989 105.617 1.00855.43 O ATOM 54622 C5* U B2594 -870.936 -74.051 104.580 1.00855.43 C ATOM 54623 C4* U B2594 -872.144 -74.460 103.770 1.00855.43 C ATOM 54624 O4* U B2594 -872.473 -73.334 102.907 1.00855.43 O ATOM 54625 C3* U B2594 -871.948 -75.575 102.787 1.00855.43 C ATOM 54626 O3* U B2594 -872.044 -76.860 103.395 1.00855.43 O ATOM 54627 C2* U B2594 -873.090 -75.324 101.814 1.00855.43 C ATOM 54628 O2* U B2594 -874.347 -75.733 102.320 1.00855.43 O ATOM 54629 C1* U B2594 -873.051 -73.801 101.703 1.00855.43 C ATOM 54630 N1 U B2594 -872.187 -73.340 100.604 1.00855.43 N ATOM 54631 C2 U B2594 -872.768 -73.076 99.381 1.00855.43 C ATOM 54632 O2 U B2594 -873.954 -73.197 99.173 1.00855.43 O ATOM 54633 N3 U B2594 -871.901 -72.662 98.403 1.00855.43 N ATOM 54634 C4 U B2594 -870.541 -72.491 98.519 1.00855.43 C ATOM 54635 O4 U B2594 -869.889 -72.130 97.536 1.00855.43 O ATOM 54636 C5 U B2594 -870.013 -72.778 99.815 1.00855.43 C ATOM 54637 C6 U B2594 -870.833 -73.183 100.790 1.00855.43 C ATOM 54638 P C B2595 -870.852 -77.923 103.206 1.00855.43 P ATOM 54639 O1P C B2595 -871.149 -79.086 104.084 1.00855.43 O ATOM 54640 O2P C B2595 -869.562 -77.205 103.348 1.00855.43 O ATOM 54641 O5* C B2595 -870.987 -78.404 101.693 1.00855.43 O ATOM 54642 C5* C B2595 -872.265 -78.558 101.076 1.00855.43 C ATOM 54643 C4* C B2595 -872.214 -78.062 99.651 1.00855.43 C ATOM 54644 O4* C B2595 -871.516 -76.790 99.633 1.00855.43 O ATOM 54645 C3* C B2595 -871.450 -78.922 98.665 1.00855.43 C ATOM 54646 O3* C B2595 -872.327 -79.910 98.135 1.00855.43 O ATOM 54647 C2* C B2595 -871.003 -77.923 97.607 1.00855.43 C ATOM 54648 O2* C B2595 -872.003 -77.657 96.647 1.00855.43 O ATOM 54649 C1* C B2595 -870.759 -76.668 98.448 1.00855.43 C ATOM 54650 N1 C B2595 -869.349 -76.495 98.833 1.00855.43 N ATOM 54651 C2 C B2595 -868.470 -75.900 97.930 1.00855.43 C ATOM 54652 O2 C B2595 -868.901 -75.541 96.823 1.00855.43 O ATOM 54653 N3 C B2595 -867.174 -75.733 98.280 1.00855.43 N ATOM 54654 C4 C B2595 -866.749 -76.143 99.479 1.00855.43 C ATOM 54655 N4 C B2595 -865.466 -75.955 99.788 1.00855.43 N ATOM 54656 C5 C B2595 -867.622 -76.758 100.417 1.00855.43 C ATOM 54657 C6 C B2595 -868.905 -76.912 100.056 1.00855.43 C ATOM 54658 P C B2596 -871.719 -81.182 97.358 1.00855.43 P ATOM 54659 O1P C B2596 -872.856 -82.081 97.036 1.00855.43 O ATOM 54660 O2P C B2596 -870.572 -81.704 98.144 1.00855.43 O ATOM 54661 O5* C B2596 -871.169 -80.576 95.991 1.00855.43 O ATOM 54662 C5* C B2596 -872.054 -80.311 94.908 1.00855.43 C ATOM 54663 C4* C B2596 -871.291 -80.197 93.611 1.00855.43 C ATOM 54664 O4* C B2596 -870.369 -79.080 93.702 1.00855.43 O ATOM 54665 C3* C B2596 -870.429 -81.417 93.301 1.00855.43 C ATOM 54666 O3* C B2596 -871.131 -82.401 92.548 1.00855.43 O ATOM 54667 C2* C B2596 -869.277 -80.824 92.498 1.00855.43 C ATOM 54668 O2* C B2596 -869.588 -80.671 91.127 1.00855.43 O ATOM 54669 C1* C B2596 -869.124 -79.442 93.134 1.00855.43 C ATOM 54670 N1 C B2596 -868.097 -79.392 94.183 1.00855.43 N ATOM 54671 C2 C B2596 -866.757 -79.546 93.817 1.00855.43 C ATOM 54672 O2 C B2596 -866.480 -79.729 92.620 1.00855.43 O ATOM 54673 N3 C B2596 -865.798 -79.497 94.772 1.00855.43 N ATOM 54674 C4 C B2596 -866.140 -79.303 96.048 1.00855.43 C ATOM 54675 N4 C B2596 -865.166 -79.249 96.956 1.00855.43 N ATOM 54676 C5 C B2596 -867.499 -79.150 96.451 1.00855.43 C ATOM 54677 C6 C B2596 -868.436 -79.202 95.495 1.00855.43 C ATOM 54678 P G B2597 -871.053 -83.948 92.988 1.00855.43 P ATOM 54679 O1P G B2597 -871.381 -84.762 91.792 1.00855.43 O ATOM 54680 O2P G B2597 -871.839 -84.119 94.235 1.00855.43 O ATOM 54681 O5* G B2597 -869.514 -84.170 93.329 1.00855.43 O ATOM 54682 C5* G B2597 -868.544 -84.265 92.290 1.00855.43 C ATOM 54683 C4* G B2597 -867.159 -84.358 92.884 1.00855.43 C ATOM 54684 O4* G B2597 -866.840 -83.136 93.596 1.00855.43 O ATOM 54685 C3* G B2597 -866.936 -85.443 93.905 1.00855.43 C ATOM 54686 O3* G B2597 -866.675 -86.665 93.227 1.00855.43 O ATOM 54687 C2* G B2597 -865.734 -84.940 94.696 1.00855.43 C ATOM 54688 O2* G B2597 -864.507 -85.265 94.089 1.00855.43 O ATOM 54689 C1* G B2597 -865.938 -83.424 94.650 1.00855.43 C ATOM 54690 N9 G B2597 -866.499 -82.910 95.897 1.00855.43 N ATOM 54691 C8 G B2597 -867.817 -82.639 96.170 1.00855.43 C ATOM 54692 N7 G B2597 -868.009 -82.202 97.384 1.00855.43 N ATOM 54693 C5 G B2597 -866.740 -82.179 97.944 1.00855.43 C ATOM 54694 C6 G B2597 -866.312 -81.796 99.246 1.00855.43 C ATOM 54695 O6 G B2597 -866.991 -81.389 100.194 1.00855.43 O ATOM 54696 N1 G B2597 -864.936 -81.927 99.388 1.00855.43 N ATOM 54697 C2 G B2597 -864.078 -82.368 98.413 1.00855.43 C ATOM 54698 N2 G B2597 -862.781 -82.425 98.750 1.00855.43 N ATOM 54699 N3 G B2597 -864.461 -82.728 97.202 1.00855.43 N ATOM 54700 C4 G B2597 -865.797 -82.610 97.037 1.00855.43 C ATOM 54701 P C B2598 -866.964 -88.060 93.971 1.00855.43 P ATOM 54702 O1P C B2598 -866.730 -89.148 92.991 1.00855.43 O ATOM 54703 O2P C B2598 -868.277 -87.962 94.659 1.00855.43 O ATOM 54704 O5* C B2598 -865.826 -88.141 95.080 1.00855.43 O ATOM 54705 C5* C B2598 -864.470 -88.358 94.707 1.00855.43 C ATOM 54706 C4* C B2598 -863.556 -88.111 95.883 1.00855.43 C ATOM 54707 O4* C B2598 -863.727 -86.756 96.367 1.00855.43 O ATOM 54708 C3* C B2598 -863.780 -88.998 97.101 1.00855.43 C ATOM 54709 O3* C B2598 -863.102 -90.247 96.988 1.00855.43 O ATOM 54710 C2* C B2598 -863.211 -88.155 98.235 1.00855.43 C ATOM 54711 O2* C B2598 -861.821 -88.303 98.362 1.00855.43 O ATOM 54712 C1* C B2598 -863.517 -86.731 97.765 1.00855.43 C ATOM 54713 N1 C B2598 -864.694 -86.156 98.426 1.00855.43 N ATOM 54714 C2 C B2598 -864.503 -85.429 99.599 1.00855.43 C ATOM 54715 O2 C B2598 -863.347 -85.272 100.021 1.00855.43 O ATOM 54716 N3 C B2598 -865.572 -84.911 100.242 1.00855.43 N ATOM 54717 C4 C B2598 -866.796 -85.097 99.751 1.00855.43 C ATOM 54718 N4 C B2598 -867.822 -84.575 100.429 1.00855.43 N ATOM 54719 C5 C B2598 -867.024 -85.827 98.545 1.00855.43 C ATOM 54720 C6 C B2598 -865.952 -86.334 97.919 1.00855.43 C ATOM 54721 P U B2599 -863.619 -91.518 97.833 1.00855.43 P ATOM 54722 O1P U B2599 -862.913 -92.710 97.297 1.00855.43 O ATOM 54723 O2P U B2599 -865.101 -91.518 97.910 1.00855.43 O ATOM 54724 O5* U B2599 -863.090 -91.234 99.300 1.00855.43 O ATOM 54725 C5* U B2599 -861.835 -91.721 99.724 1.00855.43 C ATOM 54726 C4* U B2599 -861.714 -91.568 101.208 1.00855.43 C ATOM 54727 O4* U B2599 -861.780 -90.157 101.548 1.00855.43 O ATOM 54728 C3* U B2599 -862.780 -92.214 102.072 1.00855.43 C ATOM 54729 O3* U B2599 -862.478 -93.585 102.280 1.00855.43 O ATOM 54730 C2* U B2599 -862.725 -91.388 103.350 1.00855.43 C ATOM 54731 O2* U B2599 -861.684 -91.813 104.211 1.00855.43 O ATOM 54732 C1* U B2599 -862.406 -89.994 102.807 1.00855.43 C ATOM 54733 N1 U B2599 -863.605 -89.166 102.624 1.00855.43 N ATOM 54734 C2 U B2599 -864.079 -88.477 103.725 1.00855.43 C ATOM 54735 O2 U B2599 -863.554 -88.535 104.822 1.00855.43 O ATOM 54736 N3 U B2599 -865.200 -87.717 103.496 1.00855.43 N ATOM 54737 C4 U B2599 -865.880 -87.574 102.304 1.00855.43 C ATOM 54738 O4 U B2599 -866.870 -86.838 102.256 1.00855.43 O ATOM 54739 C5 U B2599 -865.331 -88.322 101.214 1.00855.43 C ATOM 54740 C6 U B2599 -864.237 -89.072 101.406 1.00855.43 C ATOM 54741 P A B2600 -863.647 -94.587 102.730 1.00855.43 P ATOM 54742 O1P A B2600 -863.020 -95.867 103.142 1.00855.43 O ATOM 54743 O2P A B2600 -864.698 -94.587 101.682 1.00855.43 O ATOM 54744 O5* A B2600 -864.238 -93.879 104.028 1.00855.43 O ATOM 54745 C5* A B2600 -865.538 -94.186 104.507 1.00855.43 C ATOM 54746 C4* A B2600 -865.814 -93.412 105.774 1.00855.43 C ATOM 54747 O4* A B2600 -865.691 -91.988 105.522 1.00855.43 O ATOM 54748 C3* A B2600 -867.210 -93.584 106.309 1.00855.43 C ATOM 54749 O3* A B2600 -867.277 -94.772 107.081 1.00855.43 O ATOM 54750 C2* A B2600 -867.423 -92.312 107.123 1.00855.43 C ATOM 54751 O2* A B2600 -866.859 -92.385 108.415 1.00855.43 O ATOM 54752 C1* A B2600 -866.650 -91.286 106.295 1.00855.43 C ATOM 54753 N9 A B2600 -867.533 -90.560 105.385 1.00855.43 N ATOM 54754 C8 A B2600 -867.628 -90.674 104.019 1.00855.43 C ATOM 54755 N7 A B2600 -868.545 -89.902 103.489 1.00855.43 N ATOM 54756 C5 A B2600 -869.087 -89.232 104.575 1.00855.43 C ATOM 54757 C6 A B2600 -870.108 -88.271 104.682 1.00855.43 C ATOM 54758 N6 A B2600 -870.796 -87.799 103.638 1.00855.43 N ATOM 54759 N1 A B2600 -870.406 -87.804 105.915 1.00855.43 N ATOM 54760 C2 A B2600 -869.716 -88.279 106.961 1.00855.43 C ATOM 54761 N3 A B2600 -868.741 -89.179 106.988 1.00855.43 N ATOM 54762 C4 A B2600 -868.470 -89.623 105.748 1.00855.43 C ATOM 54763 P C B2601 -868.384 -95.880 106.727 1.00855.43 P ATOM 54764 O1P C B2601 -867.818 -97.206 107.075 1.00855.43 O ATOM 54765 O2P C B2601 -868.874 -95.626 105.347 1.00855.43 O ATOM 54766 O5* C B2601 -869.561 -95.551 107.743 1.00855.43 O ATOM 54767 C5* C B2601 -869.321 -95.569 109.144 1.00855.43 C ATOM 54768 C4* C B2601 -870.157 -94.526 109.839 1.00855.43 C ATOM 54769 O4* C B2601 -869.822 -93.201 109.344 1.00855.43 O ATOM 54770 C3* C B2601 -871.653 -94.656 109.640 1.00855.43 C ATOM 54771 O3* C B2601 -872.201 -95.562 110.589 1.00855.43 O ATOM 54772 C2* C B2601 -872.148 -93.232 109.861 1.00855.43 C ATOM 54773 O2* C B2601 -872.324 -92.922 111.231 1.00855.43 O ATOM 54774 C1* C B2601 -870.995 -92.405 109.290 1.00855.43 C ATOM 54775 N1 C B2601 -871.246 -92.000 107.899 1.00855.43 N ATOM 54776 C2 C B2601 -871.909 -90.797 107.670 1.00855.43 C ATOM 54777 O2 C B2601 -872.223 -90.096 108.643 1.00855.43 O ATOM 54778 N3 C B2601 -872.195 -90.426 106.400 1.00855.43 N ATOM 54779 C4 C B2601 -871.830 -91.205 105.382 1.00855.43 C ATOM 54780 N4 C B2601 -872.143 -90.802 104.147 1.00855.43 N ATOM 54781 C5 C B2601 -871.130 -92.429 105.583 1.00855.43 C ATOM 54782 C6 C B2601 -870.860 -92.786 106.848 1.00855.43 C ATOM 54783 P G B2602 -873.677 -96.143 110.350 1.00855.43 P ATOM 54784 O1P G B2602 -873.792 -97.400 111.124 1.00855.43 O ATOM 54785 O2P G B2602 -873.948 -96.150 108.888 1.00855.43 O ATOM 54786 O5* G B2602 -874.600 -95.038 111.025 1.00855.43 O ATOM 54787 C5* G B2602 -876.008 -95.015 110.825 1.00855.43 C ATOM 54788 C4* G B2602 -876.506 -93.592 110.882 1.00855.43 C ATOM 54789 O4* G B2602 -875.594 -92.730 110.158 1.00855.43 O ATOM 54790 C3* G B2602 -877.869 -93.362 110.254 1.00855.43 C ATOM 54791 O3* G B2602 -878.920 -93.623 111.180 1.00855.43 O ATOM 54792 C2* G B2602 -877.804 -91.900 109.830 1.00855.43 C ATOM 54793 O2* G B2602 -878.113 -91.011 110.883 1.00855.43 O ATOM 54794 C1* G B2602 -876.327 -91.746 109.452 1.00855.43 C ATOM 54795 N9 G B2602 -876.050 -91.937 108.034 1.00855.43 N ATOM 54796 C8 G B2602 -875.206 -92.877 107.489 1.00855.43 C ATOM 54797 N7 G B2602 -875.141 -92.814 106.188 1.00855.43 N ATOM 54798 C5 G B2602 -875.997 -91.777 105.850 1.00855.43 C ATOM 54799 C6 G B2602 -876.333 -91.245 104.579 1.00855.43 C ATOM 54800 O6 G B2602 -875.928 -91.596 103.468 1.00855.43 O ATOM 54801 N1 G B2602 -877.240 -90.195 104.687 1.00855.43 N ATOM 54802 C2 G B2602 -877.753 -89.716 105.867 1.00855.43 C ATOM 54803 N2 G B2602 -878.620 -88.696 105.757 1.00855.43 N ATOM 54804 N3 G B2602 -877.445 -90.200 107.060 1.00855.43 N ATOM 54805 C4 G B2602 -876.566 -91.223 106.978 1.00855.43 C ATOM 54806 P G B2603 -880.386 -93.986 110.637 1.00855.43 P ATOM 54807 O1P G B2603 -881.227 -94.298 111.821 1.00855.43 O ATOM 54808 O2P G B2603 -880.250 -94.987 109.549 1.00855.43 O ATOM 54809 O5* G B2603 -880.906 -92.619 110.007 1.00855.43 O ATOM 54810 C5* G B2603 -881.683 -91.716 110.783 1.00855.43 C ATOM 54811 C4* G B2603 -882.572 -90.880 109.895 1.00855.43 C ATOM 54812 O4* G B2603 -881.770 -90.055 109.009 1.00855.43 O ATOM 54813 C3* G B2603 -883.457 -91.715 108.979 1.00855.43 C ATOM 54814 O3* G B2603 -884.676 -92.101 109.591 1.00855.43 O ATOM 54815 C2* G B2603 -883.673 -90.795 107.786 1.00855.43 C ATOM 54816 O2* G B2603 -884.706 -89.854 108.003 1.00855.43 O ATOM 54817 C1* G B2603 -882.325 -90.080 107.705 1.00855.43 C ATOM 54818 N9 G B2603 -881.418 -90.811 106.828 1.00855.43 N ATOM 54819 C8 G B2603 -880.288 -91.504 107.183 1.00855.43 C ATOM 54820 N7 G B2603 -879.711 -92.095 106.171 1.00855.43 N ATOM 54821 C5 G B2603 -880.504 -91.761 105.082 1.00855.43 C ATOM 54822 C6 G B2603 -880.382 -92.116 103.718 1.00855.43 C ATOM 54823 O6 G B2603 -879.528 -92.824 103.182 1.00855.43 O ATOM 54824 N1 G B2603 -881.402 -91.557 102.950 1.00855.43 N ATOM 54825 C2 G B2603 -882.410 -90.763 103.437 1.00855.43 C ATOM 54826 N2 G B2603 -883.301 -90.316 102.535 1.00855.43 N ATOM 54827 N3 G B2603 -882.537 -90.428 104.710 1.00855.43 N ATOM 54828 C4 G B2603 -881.556 -90.960 105.472 1.00855.43 C ATOM 54829 P G B2604 -885.191 -93.610 109.424 1.00855.43 P ATOM 54830 O1P G B2604 -885.435 -94.171 110.776 1.00855.43 O ATOM 54831 O2P G B2604 -884.262 -94.308 108.494 1.00855.43 O ATOM 54832 O5* G B2604 -886.592 -93.458 108.681 1.00855.43 O ATOM 54833 C5* G B2604 -886.846 -94.167 107.473 1.00855.43 C ATOM 54834 C4* G B2604 -886.520 -93.309 106.274 1.00855.43 C ATOM 54835 O4* G B2604 -885.109 -92.964 106.275 1.00855.43 O ATOM 54836 C3* G B2604 -886.722 -93.955 104.924 1.00855.43 C ATOM 54837 O3* G B2604 -888.095 -93.912 104.571 1.00855.43 O ATOM 54838 C2* G B2604 -885.824 -93.134 104.012 1.00855.43 C ATOM 54839 O2* G B2604 -886.443 -91.938 103.600 1.00855.43 O ATOM 54840 C1* G B2604 -884.645 -92.828 104.941 1.00855.43 C ATOM 54841 N9 G B2604 -883.562 -93.791 104.769 1.00855.43 N ATOM 54842 C8 G B2604 -882.940 -94.485 105.774 1.00855.43 C ATOM 54843 N7 G B2604 -882.019 -95.302 105.342 1.00855.43 N ATOM 54844 C5 G B2604 -882.031 -95.138 103.964 1.00855.43 C ATOM 54845 C6 G B2604 -881.251 -95.763 102.963 1.00855.43 C ATOM 54846 O6 G B2604 -880.366 -96.618 103.099 1.00855.43 O ATOM 54847 N1 G B2604 -881.580 -95.305 101.694 1.00855.43 N ATOM 54848 C2 G B2604 -882.540 -94.366 101.420 1.00855.43 C ATOM 54849 N2 G B2604 -882.704 -94.059 100.125 1.00855.43 N ATOM 54850 N3 G B2604 -883.282 -93.770 102.346 1.00855.43 N ATOM 54851 C4 G B2604 -882.976 -94.203 103.591 1.00855.43 C ATOM 54852 P C B2605 -888.949 -95.274 104.567 1.00855.43 P ATOM 54853 O1P C B2605 -890.275 -94.976 105.167 1.00855.43 O ATOM 54854 O2P C B2605 -888.106 -96.350 105.146 1.00855.43 O ATOM 54855 O5* C B2605 -889.155 -95.577 103.019 1.00855.43 O ATOM 54856 C5* C B2605 -889.739 -94.600 102.166 1.00855.43 C ATOM 54857 C4* C B2605 -889.067 -94.609 100.818 1.00855.43 C ATOM 54858 O4* C B2605 -887.668 -94.237 100.959 1.00855.43 O ATOM 54859 C3* C B2605 -889.039 -95.968 100.164 1.00855.43 C ATOM 54860 O3* C B2605 -890.243 -96.213 99.444 1.00855.43 O ATOM 54861 C2* C B2605 -887.830 -95.875 99.243 1.00855.43 C ATOM 54862 O2* C B2605 -888.119 -95.220 98.025 1.00855.43 O ATOM 54863 C1* C B2605 -886.878 -95.013 100.072 1.00855.43 C ATOM 54864 N1 C B2605 -885.964 -95.850 100.865 1.00855.43 N ATOM 54865 C2 C B2605 -884.872 -96.440 100.223 1.00855.43 C ATOM 54866 O2 C B2605 -884.687 -96.207 99.019 1.00855.43 O ATOM 54867 N3 C B2605 -884.046 -97.246 100.930 1.00855.43 N ATOM 54868 C4 C B2605 -884.277 -97.466 102.226 1.00855.43 C ATOM 54869 N4 C B2605 -883.446 -98.278 102.882 1.00855.43 N ATOM 54870 C5 C B2605 -885.374 -96.863 102.908 1.00855.43 C ATOM 54871 C6 C B2605 -886.183 -96.067 102.197 1.00855.43 C ATOM 54872 P G B2606 -890.814 -97.712 99.354 1.00855.43 P ATOM 54873 O1P G B2606 -891.977 -97.707 98.430 1.00855.43 O ATOM 54874 O2P G B2606 -890.978 -98.225 100.740 1.00855.43 O ATOM 54875 O5* G B2606 -889.631 -98.530 98.668 1.00855.43 O ATOM 54876 C5* G B2606 -889.474 -98.539 97.253 1.00855.43 C ATOM 54877 C4* G B2606 -888.487 -99.609 96.846 1.00855.43 C ATOM 54878 O4* G B2606 -887.210 -99.349 97.477 1.00855.43 O ATOM 54879 C3* G B2606 -888.865-101.004 97.299 1.00855.43 C ATOM 54880 O3* G B2606 -889.752-101.619 96.380 1.00855.43 O ATOM 54881 C2* G B2606 -887.517-101.704 97.401 1.00855.43 C ATOM 54882 O2* G B2606 -887.044-102.159 96.150 1.00855.43 O ATOM 54883 C1* G B2606 -886.625-100.566 97.906 1.00855.43 C ATOM 54884 N9 G B2606 -886.561-100.535 99.361 1.00855.43 N ATOM 54885 C8 G B2606 -886.865 -99.471 100.175 1.00855.43 C ATOM 54886 N7 G B2606 -886.746 -99.746 101.445 1.00855.43 N ATOM 54887 C5 G B2606 -886.330-101.069 101.473 1.00855.43 C ATOM 54888 C6 G B2606 -886.042-101.918 102.572 1.00855.43 C ATOM 54889 O6 G B2606 -886.104-101.667 103.780 1.00855.43 O ATOM 54890 N1 G B2606 -885.649-103.184 102.147 1.00855.43 N ATOM 54891 C2 G B2606 -885.549-103.586 100.838 1.00855.43 C ATOM 54892 N2 G B2606 -885.151-104.846 100.632 1.00855.43 N ATOM 54893 N3 G B2606 -885.821-102.804 99.805 1.00855.43 N ATOM 54894 C4 G B2606 -886.202-101.569 100.191 1.00855.43 C ATOM 54895 P C B2607 -890.865-102.644 96.923 1.00855.43 P ATOM 54896 O1P C B2607 -892.161-101.924 96.959 1.00855.43 O ATOM 54897 O2P C B2607 -890.341-103.280 98.161 1.00855.43 O ATOM 54898 O5* C B2607 -890.935-103.753 95.782 1.00855.43 O ATOM 54899 C5* C B2607 -891.434-103.423 94.492 1.00855.43 C ATOM 54900 C4* C B2607 -890.533-103.988 93.423 1.00855.43 C ATOM 54901 O4* C B2607 -889.196-103.439 93.559 1.00855.43 O ATOM 54902 C3* C B2607 -890.319-105.470 93.474 1.00855.43 C ATOM 54903 O3* C B2607 -891.402-106.138 92.844 1.00855.43 O ATOM 54904 C2* C B2607 -889.011-105.653 92.719 1.00855.43 C ATOM 54905 O2* C B2607 -889.224-105.639 91.323 1.00855.43 O ATOM 54906 C1* C B2607 -888.242-104.397 93.128 1.00855.43 C ATOM 54907 N1 C B2607 -887.322-104.673 94.242 1.00855.43 N ATOM 54908 C2 C B2607 -885.947-104.495 94.040 1.00855.43 C ATOM 54909 O2 C B2607 -885.550-104.079 92.939 1.00855.43 O ATOM 54910 N3 C B2607 -885.090-104.775 95.047 1.00855.43 N ATOM 54911 C4 C B2607 -885.559-105.218 96.218 1.00855.43 C ATOM 54912 N4 C B2607 -884.675-105.492 97.181 1.00855.43 N ATOM 54913 C5 C B2607 -886.952-105.398 96.452 1.00855.43 C ATOM 54914 C6 C B2607 -887.790-105.117 95.448 1.00855.43 C ATOM 54915 P A B2608 -891.655-107.696 93.153 1.00855.43 P ATOM 54916 O1P A B2608 -890.344-108.271 93.569 1.00855.43 O ATOM 54917 O2P A B2608 -892.393-108.300 92.017 1.00855.43 O ATOM 54918 O5* A B2608 -892.606-107.690 94.434 1.00855.43 O ATOM 54919 C5* A B2608 -892.067-107.462 95.735 1.00855.43 C ATOM 54920 C4* A B2608 -893.154-107.030 96.691 1.00855.43 C ATOM 54921 O4* A B2608 -893.755-105.783 96.253 1.00855.43 O ATOM 54922 C3* A B2608 -894.295-108.007 96.820 1.00855.43 C ATOM 54923 O3* A B2608 -893.957-108.974 97.807 1.00855.43 O ATOM 54924 C2* A B2608 -895.466-107.120 97.238 1.00855.43 C ATOM 54925 O2* A B2608 -895.494-106.855 98.626 1.00855.43 O ATOM 54926 C1* A B2608 -895.148-105.818 96.503 1.00855.43 C ATOM 54927 N9 A B2608 -895.851-105.703 95.227 1.00855.43 N ATOM 54928 C8 A B2608 -895.387-106.025 93.975 1.00855.43 C ATOM 54929 N7 A B2608 -896.255-105.806 93.019 1.00855.43 N ATOM 54930 C5 A B2608 -897.364-105.307 93.685 1.00855.43 C ATOM 54931 C6 A B2608 -898.621-104.876 93.233 1.00855.43 C ATOM 54932 N6 A B2608 -898.983-104.867 91.948 1.00855.43 N ATOM 54933 N1 A B2608 -899.506-104.440 94.156 1.00855.43 N ATOM 54934 C2 A B2608 -899.139-104.441 95.445 1.00855.43 C ATOM 54935 N3 A B2608 -897.986-104.816 95.993 1.00855.43 N ATOM 54936 C4 A B2608 -897.132-105.242 95.047 1.00855.43 C ATOM 54937 P G B2609 -895.425-110.060 97.798 1.00857.06 P ATOM 54938 O1P G B2609 -894.530-111.198 98.135 1.00857.06 O ATOM 54939 O2P G B2609 -896.338-110.165 96.631 1.00857.06 O ATOM 54940 O5* G B2609 -896.292-109.713 99.086 1.00857.06 O ATOM 54941 C5* G B2609 -895.668-109.132 100.223 1.00857.06 C ATOM 54942 C4* G B2609 -896.693-108.785 101.271 1.00857.06 C ATOM 54943 O4* G B2609 -897.289-110.001 101.779 1.00857.06 O ATOM 54944 C3* G B2609 -896.153-108.086 102.501 1.00857.06 C ATOM 54945 O3* G B2609 -896.005-106.690 102.258 1.00857.06 O ATOM 54946 C2* G B2609 -897.190-108.429 103.561 1.00857.06 C ATOM 54947 O2* G B2609 -898.327-107.592 103.497 1.00857.06 O ATOM 54948 C1* G B2609 -897.582-109.853 103.153 1.00857.06 C ATOM 54949 N9 G B2609 -896.835-110.894 103.844 1.00857.06 N ATOM 54950 C8 G B2609 -895.805-111.633 103.316 1.00857.06 C ATOM 54951 N7 G B2609 -895.315-112.504 104.151 1.00857.06 N ATOM 54952 C5 G B2609 -896.067-112.334 105.304 1.00857.06 C ATOM 54953 C6 G B2609 -895.993-113.001 106.545 1.00857.06 C ATOM 54954 O6 G B2609 -895.225-113.909 106.886 1.00857.06 O ATOM 54955 N1 G B2609 -896.934-112.513 107.443 1.00857.06 N ATOM 54956 C2 G B2609 -897.832-111.509 107.182 1.00857.06 C ATOM 54957 N2 G B2609 -898.652-111.179 108.188 1.00857.06 N ATOM 54958 N3 G B2609 -897.915-110.878 106.022 1.00857.06 N ATOM 54959 C4 G B2609 -897.009-111.339 105.135 1.00857.06 C ATOM 54960 P G B2610 -894.637-105.954 102.675 1.00857.06 P ATOM 54961 O1P G B2610 -894.487-104.769 101.788 1.00857.06 O ATOM 54962 O2P G B2610 -893.556-106.965 102.737 1.00857.06 O ATOM 54963 O5* G B2610 -894.916-105.428 104.151 1.00857.06 O ATOM 54964 C5* G B2610 -893.837-105.185 105.043 1.00857.06 C ATOM 54965 C4* G B2610 -894.183-105.677 106.431 1.00857.06 C ATOM 54966 O4* G B2610 -894.815-106.982 106.340 1.00857.06 O ATOM 54967 C3* G B2610 -893.025-105.864 107.389 1.00857.06 C ATOM 54968 O3* G B2610 -892.698-104.640 108.034 1.00857.06 O ATOM 54969 C2* G B2610 -893.564-106.898 108.370 1.00857.06 C ATOM 54970 O2* G B2610 -894.364-106.324 109.387 1.00857.06 O ATOM 54971 C1* G B2610 -894.436-107.767 107.460 1.00857.06 C ATOM 54972 N9 G B2610 -893.714-108.943 106.985 1.00857.06 N ATOM 54973 C8 G B2610 -892.944-109.057 105.853 1.00857.06 C ATOM 54974 N7 G B2610 -892.410-110.238 105.713 1.00857.06 N ATOM 54975 C5 G B2610 -892.860-110.951 106.820 1.00857.06 C ATOM 54976 C6 G B2610 -892.619-112.294 107.217 1.00857.06 C ATOM 54977 O6 G B2610 -891.932-113.157 106.655 1.00857.06 O ATOM 54978 N1 G B2610 -893.279-112.601 108.405 1.00857.06 N ATOM 54979 C2 G B2610 -894.066-111.731 109.118 1.00857.06 C ATOM 54980 N2 G B2610 -894.616-112.210 110.242 1.00857.06 N ATOM 54981 N3 G B2610 -894.297-110.482 108.757 1.00857.06 N ATOM 54982 C4 G B2610 -893.669-110.162 107.610 1.00857.06 C ATOM 54983 P A B2611 -891.165-104.328 108.394 1.00857.06 P ATOM 54984 O1P A B2611 -891.151-103.237 109.402 1.00857.06 O ATOM 54985 O2P A B2611 -890.409-104.169 107.128 1.00857.06 O ATOM 54986 O5* A B2611 -890.672-105.667 109.104 1.00857.06 O ATOM 54987 C5* A B2611 -889.284-105.927 109.281 1.00857.06 C ATOM 54988 C4* A B2611 -889.088-107.099 110.211 1.00857.06 C ATOM 54989 O4* A B2611 -889.832-108.246 109.718 1.00857.06 O ATOM 54990 C3* A B2611 -887.679-107.605 110.321 1.00857.06 C ATOM 54991 O3* A B2611 -886.946-106.794 111.229 1.00857.06 O ATOM 54992 C2* A B2611 -887.860-109.046 110.780 1.00857.06 C ATOM 54993 O2* A B2611 -888.050-109.144 112.181 1.00857.06 O ATOM 54994 C1* A B2611 -889.141-109.444 110.041 1.00857.06 C ATOM 54995 N9 A B2611 -888.851-110.143 108.783 1.00857.06 N ATOM 54996 C8 A B2611 -888.269-109.603 107.666 1.00857.06 C ATOM 54997 N7 A B2611 -888.075-110.467 106.698 1.00857.06 N ATOM 54998 C5 A B2611 -888.566-111.658 107.215 1.00857.06 C ATOM 54999 C6 A B2611 -888.640-112.968 106.689 1.00857.06 C ATOM 55000 N6 A B2611 -888.199-113.317 105.484 1.00857.06 N ATOM 55001 N1 A B2611 -889.189-113.919 107.463 1.00857.06 N ATOM 55002 C2 A B2611 -889.635-113.578 108.661 1.00857.06 C ATOM 55003 N3 A B2611 -889.629-112.396 109.262 1.00857.06 N ATOM 55004 C4 A B2611 -889.067-111.467 108.487 1.00857.06 C ATOM 55005 P G B2612 -885.341-106.782 111.155 1.00857.06 P ATOM 55006 O1P G B2612 -884.869-105.533 111.804 1.00857.06 O ATOM 55007 O2P G B2612 -884.938-107.078 109.756 1.00857.06 O ATOM 55008 O5* G B2612 -884.912-108.016 112.067 1.00857.06 O ATOM 55009 C5* G B2612 -884.498-107.809 113.408 1.00857.06 C ATOM 55010 C4* G B2612 -883.737-109.013 113.913 1.00857.06 C ATOM 55011 O4* G B2612 -884.552-110.208 113.788 1.00857.06 O ATOM 55012 C3* G B2612 -882.458-109.311 113.146 1.00857.06 C ATOM 55013 O3* G B2612 -881.358-108.565 113.645 1.00857.06 O ATOM 55014 C2* G B2612 -882.285-110.809 113.361 1.00857.06 C ATOM 55015 O2* G B2612 -881.679-111.113 114.601 1.00857.06 O ATOM 55016 C1* G B2612 -883.734-111.293 113.376 1.00857.06 C ATOM 55017 N9 G B2612 -884.177-111.737 112.055 1.00857.06 N ATOM 55018 C8 G B2612 -885.032-111.088 111.197 1.00857.06 C ATOM 55019 N7 G B2612 -885.238-111.747 110.087 1.00857.06 N ATOM 55020 C5 G B2612 -884.465-112.893 110.219 1.00857.06 C ATOM 55021 C6 G B2612 -884.280-113.989 109.333 1.00857.06 C ATOM 55022 O6 G B2612 -884.778-114.175 108.216 1.00857.06 O ATOM 55023 N1 G B2612 -883.410-114.935 109.866 1.00857.06 N ATOM 55024 C2 G B2612 -882.793-114.841 111.087 1.00857.06 C ATOM 55025 N2 G B2612 -881.985-115.859 111.423 1.00857.06 N ATOM 55026 N3 G B2612 -882.957-113.827 111.923 1.00857.06 N ATOM 55027 C4 G B2612 -883.800-112.897 111.428 1.00857.06 C ATOM 55028 P A B2613 -880.205-108.086 112.633 1.00857.06 P ATOM 55029 O1P A B2613 -879.136-107.467 113.458 1.00857.06 O ATOM 55030 O2P A B2613 -880.838-107.305 111.544 1.00857.06 O ATOM 55031 O5* A B2613 -879.632-109.442 112.022 1.00857.06 O ATOM 55032 C5* A B2613 -878.969-110.381 112.862 1.00857.06 C ATOM 55033 C4* A B2613 -878.893-111.746 112.205 1.00857.06 C ATOM 55034 O4* A B2613 -880.162-112.067 111.578 1.00857.06 O ATOM 55035 C3* A B2613 -877.932-111.922 111.035 1.00857.06 C ATOM 55036 O3* A B2613 -876.583-112.109 111.461 1.00857.06 O ATOM 55037 C2* A B2613 -878.460-113.160 110.323 1.00857.06 C ATOM 55038 O2* A B2613 -877.972-114.367 110.875 1.00857.06 O ATOM 55039 C1* A B2613 -879.960-113.072 110.597 1.00857.06 C ATOM 55040 N9 A B2613 -880.681-112.722 109.375 1.00857.06 N ATOM 55041 C8 A B2613 -881.184-111.513 108.965 1.00857.06 C ATOM 55042 N7 A B2613 -881.738-111.546 107.777 1.00857.06 N ATOM 55043 C5 A B2613 -881.599-112.873 107.382 1.00857.06 C ATOM 55044 C6 A B2613 -881.977-113.563 106.212 1.00857.06 C ATOM 55045 N6 A B2613 -882.594-112.989 105.176 1.00857.06 N ATOM 55046 N1 A B2613 -881.694-114.883 106.143 1.00857.06 N ATOM 55047 C2 A B2613 -881.074-115.460 107.179 1.00857.06 C ATOM 55048 N3 A B2613 -880.665-114.918 108.325 1.00857.06 N ATOM 55049 C4 A B2613 -880.961-113.607 108.360 1.00857.06 C ATOM 55050 P A B2614 -875.388-112.005 110.386 1.00857.06 P ATOM 55051 O1P A B2614 -874.111-112.030 111.140 1.00857.06 O ATOM 55052 O2P A B2614 -875.675-110.879 109.463 1.00857.06 O ATOM 55053 O5* A B2614 -875.490-113.361 109.560 1.00857.06 O ATOM 55054 C5* A B2614 -875.074-114.591 110.142 1.00857.06 C ATOM 55055 C4* A B2614 -875.387-115.747 109.228 1.00857.06 C ATOM 55056 O4* A B2614 -876.808-115.749 108.918 1.00857.06 O ATOM 55057 C3* A B2614 -874.719-115.771 107.867 1.00857.06 C ATOM 55058 O3* A B2614 -873.378-116.258 107.935 1.00857.06 O ATOM 55059 C2* A B2614 -875.648-116.684 107.072 1.00857.06 C ATOM 55060 O2* A B2614 -875.483-118.041 107.408 1.00857.06 O ATOM 55061 C1* A B2614 -877.013-116.293 107.629 1.00857.06 C ATOM 55062 N9 A B2614 -877.666-115.295 106.789 1.00857.06 N ATOM 55063 C8 A B2614 -877.902-113.976 107.069 1.00857.06 C ATOM 55064 N7 A B2614 -878.503-113.328 106.100 1.00857.06 N ATOM 55065 C5 A B2614 -878.676-114.287 105.117 1.00857.06 C ATOM 55066 C6 A B2614 -879.251-114.232 103.837 1.00857.06 C ATOM 55067 N6 A B2614 -879.776-113.122 103.315 1.00857.06 N ATOM 55068 N1 A B2614 -879.269-115.367 103.107 1.00857.06 N ATOM 55069 C2 A B2614 -878.736-116.479 103.634 1.00857.06 C ATOM 55070 N3 A B2614 -878.164-116.654 104.824 1.00857.06 N ATOM 55071 C4 A B2614 -878.169-115.506 105.525 1.00857.06 C ATOM 55072 P U B2615 -872.348-115.926 106.741 1.00857.06 P ATOM 55073 O1P U B2615 -871.150-116.783 106.915 1.00857.06 O ATOM 55074 O2P U B2615 -872.184-114.451 106.652 1.00857.06 O ATOM 55075 O5* U B2615 -873.109-116.414 105.433 1.00857.06 O ATOM 55076 C5* U B2615 -872.703-115.997 104.135 1.00857.06 C ATOM 55077 C4* U B2615 -873.529-116.704 103.092 1.00857.06 C ATOM 55078 O4* U B2615 -874.928-116.412 103.318 1.00857.06 O ATOM 55079 C3* U B2615 -873.273-116.268 101.667 1.00857.06 C ATOM 55080 O3* U B2615 -872.163-116.969 101.125 1.00857.06 O ATOM 55081 C2* U B2615 -874.587-116.624 100.978 1.00857.06 C ATOM 55082 O2* U B2615 -874.667-117.991 100.633 1.00857.06 O ATOM 55083 C1* U B2615 -875.607-116.322 102.080 1.00857.06 C ATOM 55084 N1 U B2615 -876.150-114.960 102.011 1.00857.06 N ATOM 55085 C2 U B2615 -877.109-114.662 101.057 1.00857.06 C ATOM 55086 O2 U B2615 -877.545-115.477 100.263 1.00857.06 O ATOM 55087 N3 U B2615 -877.541-113.358 101.067 1.00857.06 N ATOM 55088 C4 U B2615 -877.127-112.351 101.917 1.00857.06 C ATOM 55089 O4 U B2615 -877.606-111.226 101.801 1.00857.06 O ATOM 55090 C5 U B2615 -876.146-112.746 102.877 1.00857.06 C ATOM 55091 C6 U B2615 -875.704-114.002 102.890 1.00857.06 C ATOM 55092 P U B2616 -870.893-116.150 100.588 1.00857.06 P ATOM 55093 O1P U B2616 -869.679-116.750 101.200 1.00857.06 O ATOM 55094 O2P U B2616 -871.174-114.705 100.777 1.00857.06 O ATOM 55095 O5* U B2616 -870.881-116.463 99.028 1.00857.06 O ATOM 55096 C5* U B2616 -870.542-117.763 98.556 1.00857.06 C ATOM 55097 C4* U B2616 -871.455-118.171 97.424 1.00857.06 C ATOM 55098 O4* U B2616 -872.838-118.008 97.819 1.00857.06 O ATOM 55099 C3* U B2616 -871.288-117.400 96.123 1.00857.06 C ATOM 55100 O3* U B2616 -870.288-118.020 95.315 1.00857.06 O ATOM 55101 C2* U B2616 -872.674-117.508 95.487 1.00857.06 C ATOM 55102 O2* U B2616 -872.836-118.703 94.748 1.00857.06 O ATOM 55103 C1* U B2616 -873.592-117.550 96.714 1.00857.06 C ATOM 55104 N1 U B2616 -874.217-116.263 97.065 1.00857.06 N ATOM 55105 C2 U B2616 -875.465-115.993 96.530 1.00857.06 C ATOM 55106 O2 U B2616 -876.047-116.765 95.788 1.00857.06 O ATOM 55107 N3 U B2616 -876.011-114.787 96.901 1.00857.06 N ATOM 55108 C4 U B2616 -875.448-113.844 97.728 1.00857.06 C ATOM 55109 O4 U B2616 -876.071-112.807 97.973 1.00857.06 O ATOM 55110 C5 U B2616 -874.156-114.190 98.238 1.00857.06 C ATOM 55111 C6 U B2616 -873.597-115.359 97.898 1.00857.06 C ATOM 55112 P G B2617 -869.186-117.114 94.570 1.00857.06 P ATOM 55113 O1P G B2617 -868.478-117.992 93.604 1.00857.06 O ATOM 55114 O2P G B2617 -868.411-116.371 95.595 1.00857.06 O ATOM 55115 O5* G B2617 -870.050-116.066 93.736 1.00857.06 O ATOM 55116 C5* G B2617 -869.539-114.770 93.451 1.00857.06 C ATOM 55117 C4* G B2617 -870.376-114.094 92.392 1.00857.06 C ATOM 55118 O4* G B2617 -871.776-114.127 92.762 1.00857.06 O ATOM 55119 C3* G B2617 -870.039-112.622 92.184 1.00857.06 C ATOM 55120 O3* G B2617 -868.962-112.388 91.285 1.00857.06 O ATOM 55121 C2* G B2617 -871.357-112.057 91.659 1.00857.06 C ATOM 55122 O2* G B2617 -871.508-112.305 90.281 1.00857.06 O ATOM 55123 C1* G B2617 -872.389-112.897 92.416 1.00857.06 C ATOM 55124 N9 G B2617 -872.902-112.276 93.633 1.00857.06 N ATOM 55125 C8 G B2617 -873.518-112.905 94.687 1.00857.06 C ATOM 55126 N7 G B2617 -873.898-112.080 95.624 1.00857.06 N ATOM 55127 C5 G B2617 -873.509-110.830 95.166 1.00857.06 C ATOM 55128 C6 G B2617 -873.661-109.543 95.748 1.00857.06 C ATOM 55129 O6 G B2617 -874.195-109.246 96.823 1.00857.06 O ATOM 55130 N1 G B2617 -873.111-108.547 94.948 1.00857.06 N ATOM 55131 C2 G B2617 -872.494-108.755 93.736 1.00857.06 C ATOM 55132 N2 G B2617 -872.008-107.658 93.116 1.00857.06 N ATOM 55133 N3 G B2617 -872.352-109.947 93.175 1.00857.06 N ATOM 55134 C4 G B2617 -872.878-110.931 93.940 1.00857.06 C ATOM 55135 P A B2618 -868.224-110.960 91.271 1.00857.06 P ATOM 55136 O1P A B2618 -866.762-111.220 91.295 1.00857.06 O ATOM 55137 O2P A B2618 -868.833-110.099 92.316 1.00857.06 O ATOM 55138 O5* A B2618 -868.599-110.363 89.844 1.00857.06 O ATOM 55139 C5* A B2618 -869.078-111.213 88.805 1.00857.06 C ATOM 55140 C4* A B2618 -869.789-110.399 87.748 1.00857.06 C ATOM 55141 O4* A B2618 -870.956-109.757 88.316 1.00857.06 O ATOM 55142 C3* A B2618 -868.972-109.263 87.146 1.00857.06 C ATOM 55143 O3* A B2618 -868.136-109.709 86.085 1.00857.06 O ATOM 55144 C2* A B2618 -870.046-108.294 86.661 1.00857.06 C ATOM 55145 O2* A B2618 -870.550-108.638 85.386 1.00857.06 O ATOM 55146 C1* A B2618 -871.142-108.489 87.712 1.00857.06 C ATOM 55147 N9 A B2618 -871.143-107.469 88.762 1.00857.06 N ATOM 55148 C8 A B2618 -870.928-107.645 90.105 1.00857.06 C ATOM 55149 N7 A B2618 -871.018-106.540 90.807 1.00857.06 N ATOM 55150 C5 A B2618 -871.305-105.568 89.856 1.00857.06 C ATOM 55151 C6 A B2618 -871.520-104.182 89.957 1.00857.06 C ATOM 55152 N6 A B2618 -871.489-103.510 91.107 1.00857.06 N ATOM 55153 N1 A B2618 -871.773-103.503 88.814 1.00857.06 N ATOM 55154 C2 A B2618 -871.808-104.182 87.658 1.00857.06 C ATOM 55155 N3 A B2618 -871.629-105.482 87.441 1.00857.06 N ATOM 55156 C4 A B2618 -871.376-106.127 88.592 1.00857.06 C ATOM 55157 P G B2619 -866.670-109.076 85.916 1.00857.06 P ATOM 55158 O1P G B2619 -866.110-109.568 84.633 1.00857.06 O ATOM 55159 O2P G B2619 -865.918-109.295 87.179 1.00857.06 O ATOM 55160 O5* G B2619 -866.950-107.516 85.767 1.00857.06 O ATOM 55161 C5* G B2619 -866.174-106.568 86.488 1.00857.06 C ATOM 55162 C4* G B2619 -867.062-105.732 87.375 1.00857.06 C ATOM 55163 O4* G B2619 -867.832-106.592 88.253 1.00857.06 O ATOM 55164 C3* G B2619 -866.342-104.796 88.310 1.00857.06 C ATOM 55165 O3* G B2619 -866.023-103.612 87.601 1.00857.06 O ATOM 55166 C2* G B2619 -867.344-104.588 89.437 1.00857.06 C ATOM 55167 O2* G B2619 -868.319-103.609 89.131 1.00857.06 O ATOM 55168 C1* G B2619 -868.001-105.967 89.512 1.00857.06 C ATOM 55169 N9 G B2619 -867.369-106.818 90.513 1.00857.06 N ATOM 55170 C8 G B2619 -866.244-107.590 90.344 1.00857.06 C ATOM 55171 N7 G B2619 -865.888-108.220 91.431 1.00857.06 N ATOM 55172 C5 G B2619 -866.838-107.848 92.371 1.00857.06 C ATOM 55173 C6 G B2619 -866.965-108.211 93.737 1.00857.06 C ATOM 55174 O6 G B2619 -866.240-108.951 94.408 1.00857.06 O ATOM 55175 N1 G B2619 -868.078-107.611 94.321 1.00857.06 N ATOM 55176 C2 G B2619 -868.953-106.769 93.676 1.00857.06 C ATOM 55177 N2 G B2619 -869.968-106.297 94.415 1.00857.06 N ATOM 55178 N3 G B2619 -868.839-106.418 92.405 1.00857.06 N ATOM 55179 C4 G B2619 -867.766-106.991 91.818 1.00857.06 C ATOM 55180 P G B2620 -864.979-102.573 88.244 1.00857.06 P ATOM 55181 O1P G B2620 -864.336-101.857 87.118 1.00857.06 O ATOM 55182 O2P G B2620 -864.138-103.316 89.215 1.00857.06 O ATOM 55183 O5* G B2620 -865.906-101.561 89.054 1.00857.06 O ATOM 55184 C5* G B2620 -865.677-100.161 88.974 1.00857.06 C ATOM 55185 C4* G B2620 -865.217 -99.607 90.304 1.00857.06 C ATOM 55186 O4* G B2620 -866.137 -99.992 91.357 1.00857.06 O ATOM 55187 C3* G B2620 -863.846-100.108 90.737 1.00857.06 C ATOM 55188 O3* G B2620 -862.794 -99.299 90.230 1.00857.06 O ATOM 55189 C2* G B2620 -863.929-100.019 92.257 1.00857.06 C ATOM 55190 O2* G B2620 -863.645 -98.720 92.738 1.00857.06 O ATOM 55191 C1* G B2620 -865.400-100.346 92.514 1.00857.06 C ATOM 55192 N9 G B2620 -865.585-101.765 92.798 1.00857.06 N ATOM 55193 C8 G B2620 -865.716-102.806 91.911 1.00857.06 C ATOM 55194 N7 G B2620 -865.837-103.970 92.499 1.00857.06 N ATOM 55195 C5 G B2620 -865.793-103.673 93.857 1.00857.06 C ATOM 55196 C6 G B2620 -865.869-104.526 94.997 1.00857.06 C ATOM 55197 O6 G B2620 -865.995-105.757 95.039 1.00857.06 O ATOM 55198 N1 G B2620 -865.785-103.802 96.182 1.00857.06 N ATOM 55199 C2 G B2620 -865.639-102.438 96.266 1.00857.06 C ATOM 55200 N2 G B2620 -865.574-101.924 97.499 1.00857.06 N ATOM 55201 N3 G B2620 -865.561-101.640 95.217 1.00857.06 N ATOM 55202 C4 G B2620 -865.644-102.317 94.056 1.00857.06 C ATOM 55203 P G B2621 -861.344 -99.949 89.977 1.00857.06 P ATOM 55204 O1P G B2621 -860.605 -99.050 89.051 1.00857.06 O ATOM 55205 O2P G B2621 -861.536-101.377 89.616 1.00857.06 O ATOM 55206 O5* G B2621 -860.628 -99.889 91.400 1.00857.06 O ATOM 55207 C5* G B2621 -860.533 -98.660 92.116 1.00857.06 C ATOM 55208 C4* G B2621 -860.053 -98.904 93.528 1.00857.06 C ATOM 55209 O4* G B2621 -860.960 -99.810 94.206 1.00857.06 O ATOM 55210 C3* G B2621 -858.682 -99.567 93.625 1.00857.06 C ATOM 55211 O3* G B2621 -857.592 -98.654 93.566 1.00857.06 O ATOM 55212 C2* G B2621 -858.751-100.279 94.972 1.00857.06 C ATOM 55213 O2* G B2621 -858.463 -99.421 96.054 1.00857.06 O ATOM 55214 C1* G B2621 -860.222-100.689 95.036 1.00857.06 C ATOM 55215 N9 G B2621 -860.451-102.061 94.583 1.00857.06 N ATOM 55216 C8 G B2621 -860.505-102.517 93.287 1.00857.06 C ATOM 55217 N7 G B2621 -860.731-103.800 93.204 1.00857.06 N ATOM 55218 C5 G B2621 -860.830-104.217 94.523 1.00857.06 C ATOM 55219 C6 G B2621 -861.071-105.509 95.068 1.00857.06 C ATOM 55220 O6 G B2621 -861.255-106.580 94.474 1.00857.06 O ATOM 55221 N1 G B2621 -861.087-105.481 96.458 1.00857.06 N ATOM 55222 C2 G B2621 -860.901-104.361 97.229 1.00857.06 C ATOM 55223 N2 G B2621 -860.950-104.537 98.556 1.00857.06 N ATOM 55224 N3 G B2621 -860.678-103.152 96.738 1.00857.06 N ATOM 55225 C4 G B2621 -860.657-103.155 95.387 1.00857.06 C ATOM 55226 P G B2622 -856.127 -99.184 93.167 1.00857.06 P ATOM 55227 O1P G B2622 -855.223 -98.003 93.148 1.00857.06 O ATOM 55228 O2P G B2622 -856.245-100.038 91.958 1.00857.06 O ATOM 55229 O5* G B2622 -855.700-100.107 94.398 1.00857.06 O ATOM 55230 C5* G B2622 -855.320 -99.523 95.640 1.00857.06 C ATOM 55231 C4* G B2622 -855.328-100.556 96.744 1.00857.06 C ATOM 55232 O4* G B2622 -856.604-101.255 96.779 1.00857.06 O ATOM 55233 C3* G B2622 -854.274-101.665 96.699 1.00857.06 C ATOM 55234 O3* G B2622 -853.039-101.217 97.249 1.00857.06 O ATOM 55235 C2* G B2622 -854.912-102.743 97.569 1.00857.06 C ATOM 55236 O2* G B2622 -854.710-102.519 98.951 1.00857.06 O ATOM 55237 C1* G B2622 -856.399-102.576 97.246 1.00857.06 C ATOM 55238 N9 G B2622 -856.868-103.527 96.240 1.00857.06 N ATOM 55239 C8 G B2622 -857.202-103.273 94.931 1.00857.06 C ATOM 55240 N7 G B2622 -857.575-104.347 94.283 1.00857.06 N ATOM 55241 C5 G B2622 -857.483-105.364 95.222 1.00857.06 C ATOM 55242 C6 G B2622 -857.757-106.759 95.103 1.00857.06 C ATOM 55243 O6 G B2622 -858.147-107.390 94.118 1.00857.06 O ATOM 55244 N1 G B2622 -857.532-107.426 96.303 1.00857.06 N ATOM 55245 C2 G B2622 -857.097-106.840 97.465 1.00857.06 C ATOM 55246 N2 G B2622 -856.938-107.660 98.518 1.00857.06 N ATOM 55247 N3 G B2622 -856.837-105.548 97.586 1.00857.06 N ATOM 55248 C4 G B2622 -857.050-104.878 96.435 1.00857.06 C ATOM 55249 P A B2623 -851.869-102.281 97.541 1.00857.06 P ATOM 55250 O1P A B2623 -852.086-102.820 98.907 1.00857.06 O ATOM 55251 O2P A B2623 -850.567-101.651 97.198 1.00857.06 O ATOM 55252 O5* A B2623 -852.145-103.452 96.499 1.00857.06 O ATOM 55253 C5* A B2623 -851.623-104.760 96.719 1.00857.06 C ATOM 55254 C4* A B2623 -851.625-105.547 95.430 1.00857.06 C ATOM 55255 O4* A B2623 -852.983-105.695 94.939 1.00857.06 O ATOM 55256 C3* A B2623 -850.846-104.974 94.255 1.00857.06 C ATOM 55257 O3* A B2623 -849.461-105.289 94.344 1.00857.06 O ATOM 55258 C2* A B2623 -851.522-105.633 93.055 1.00857.06 C ATOM 55259 O2* A B2623 -851.014-106.923 92.780 1.00857.06 O ATOM 55260 C1* A B2623 -852.974-105.744 93.524 1.00857.06 C ATOM 55261 N9 A B2623 -853.840-104.679 93.015 1.00857.06 N ATOM 55262 C8 A B2623 -853.657-103.320 93.111 1.00857.06 C ATOM 55263 N7 A B2623 -854.621-102.617 92.564 1.00857.06 N ATOM 55264 C5 A B2623 -855.498-103.576 92.079 1.00857.06 C ATOM 55265 C6 A B2623 -856.723-103.479 91.393 1.00857.06 C ATOM 55266 N6 A B2623 -857.301-102.319 91.069 1.00857.06 N ATOM 55267 N1 A B2623 -857.342-104.627 91.046 1.00857.06 N ATOM 55268 C2 A B2623 -856.765-105.792 91.374 1.00857.06 C ATOM 55269 N3 A B2623 -855.619-106.010 92.016 1.00857.06 N ATOM 55270 C4 A B2623 -855.030-104.849 92.346 1.00857.06 C ATOM 55271 P G B2624 -847.222-103.403 94.751 1.00855.77 P ATOM 55272 O1P G B2624 -847.226-102.858 96.132 1.00855.77 O ATOM 55273 O2P G B2624 -847.474-102.492 93.605 1.00855.77 O ATOM 55274 O5* G B2624 -845.830-104.142 94.512 1.00855.77 O ATOM 55275 C5* G B2624 -845.552-105.386 95.151 1.00855.77 C ATOM 55276 C4* G B2624 -845.443-106.487 94.124 1.00855.77 C ATOM 55277 O4* G B2624 -846.678-106.579 93.385 1.00855.77 O ATOM 55278 C3* G B2624 -844.298-106.296 93.106 1.00855.77 C ATOM 55279 O3* G B2624 -843.126-107.001 93.517 1.00855.77 O ATOM 55280 C2* G B2624 -844.888-106.892 91.827 1.00855.77 C ATOM 55281 O2* G B2624 -844.670-108.283 91.721 1.00855.77 O ATOM 55282 C1* G B2624 -846.391-106.648 92.008 1.00855.77 C ATOM 55283 N9 G B2624 -846.991-105.497 91.338 1.00855.77 N ATOM 55284 C8 G B2624 -846.483-104.222 91.233 1.00855.77 C ATOM 55285 N7 G B2624 -847.284-103.402 90.610 1.00855.77 N ATOM 55286 C5 G B2624 -848.381-104.182 90.278 1.00855.77 C ATOM 55287 C6 G B2624 -849.581-103.844 89.589 1.00855.77 C ATOM 55288 O6 G B2624 -849.923-102.748 89.132 1.00855.77 O ATOM 55289 N1 G B2624 -850.422-104.945 89.462 1.00855.77 N ATOM 55290 C2 G B2624 -850.154-106.205 89.935 1.00855.77 C ATOM 55291 N2 G B2624 -851.095-107.137 89.708 1.00855.77 N ATOM 55292 N3 G B2624 -849.045-106.531 90.576 1.00855.77 N ATOM 55293 C4 G B2624 -848.211-105.481 90.710 1.00855.77 C ATOM 55294 P U B2625 -841.806-106.995 92.599 1.00855.77 P ATOM 55295 O1P U B2625 -842.103-107.771 91.368 1.00855.77 O ATOM 55296 O2P U B2625 -840.664-107.396 93.462 1.00855.77 O ATOM 55297 O5* U B2625 -841.606-105.465 92.208 1.00855.77 O ATOM 55298 C5* U B2625 -841.228-105.093 90.886 1.00855.77 C ATOM 55299 C4* U B2625 -839.844-104.490 90.895 1.00855.77 C ATOM 55300 O4* U B2625 -839.813-103.422 91.880 1.00855.77 O ATOM 55301 C3* U B2625 -838.709-105.402 91.303 1.00855.77 C ATOM 55302 O3* U B2625 -838.244-106.135 90.178 1.00855.77 O ATOM 55303 C2* U B2625 -837.659-104.427 91.822 1.00855.77 C ATOM 55304 O2* U B2625 -836.906-103.838 90.782 1.00855.77 O ATOM 55305 C1* U B2625 -838.534-103.370 92.491 1.00855.77 C ATOM 55306 N1 U B2625 -838.704-103.665 93.920 1.00855.77 N ATOM 55307 C2 U B2625 -837.627-103.446 94.754 1.00855.77 C ATOM 55308 O2 U B2625 -836.567-102.983 94.357 1.00855.77 O ATOM 55309 N3 U B2625 -837.831-103.787 96.066 1.00855.77 N ATOM 55310 C4 U B2625 -838.982-104.307 96.618 1.00855.77 C ATOM 55311 O4 U B2625 -839.003-104.603 97.814 1.00855.77 O ATOM 55312 C5 U B2625 -840.059-104.485 95.693 1.00855.77 C ATOM 55313 C6 U B2625 -839.887-104.165 94.410 1.00855.77 C ATOM 55314 P U B2626 -837.444-107.512 90.404 1.00855.77 P ATOM 55315 O1P U B2626 -837.088-108.040 89.068 1.00855.77 O ATOM 55316 O2P U B2626 -838.236-108.353 91.338 1.00855.77 O ATOM 55317 O5* U B2626 -836.109-107.067 91.157 1.00855.77 O ATOM 55318 C5* U B2626 -835.014-106.503 90.436 1.00855.77 C ATOM 55319 C4* U B2626 -833.955-105.999 91.392 1.00855.77 C ATOM 55320 O4* U B2626 -834.586-105.270 92.478 1.00855.77 O ATOM 55321 C3* U B2626 -833.080-107.046 92.074 1.00855.77 C ATOM 55322 O3* U B2626 -831.969-107.421 91.269 1.00855.77 O ATOM 55323 C2* U B2626 -832.645-106.335 93.352 1.00855.77 C ATOM 55324 O2* U B2626 -831.552-105.467 93.134 1.00855.77 O ATOM 55325 C1* U B2626 -833.887-105.505 93.691 1.00855.77 C ATOM 55326 N1 U B2626 -834.796-106.193 94.620 1.00855.77 N ATOM 55327 C2 U B2626 -834.464-106.239 95.971 1.00855.77 C ATOM 55328 O2 U B2626 -833.456-105.740 96.435 1.00855.77 O ATOM 55329 N3 U B2626 -835.367-106.903 96.765 1.00855.77 N ATOM 55330 C4 U B2626 -836.536-107.513 96.364 1.00855.77 C ATOM 55331 O4 U B2626 -837.241-108.076 97.201 1.00855.77 O ATOM 55332 C5 U B2626 -836.807-107.421 94.961 1.00855.77 C ATOM 55333 C6 U B2626 -835.952-106.780 94.159 1.00855.77 C ATOM 55334 P G B2627 -831.084-108.698 91.679 1.00855.77 P ATOM 55335 O1P G B2627 -830.465-109.241 90.441 1.00855.77 O ATOM 55336 O2P G B2627 -831.907-109.588 92.537 1.00855.77 O ATOM 55337 O5* G B2627 -829.920-108.082 92.576 1.00855.77 O ATOM 55338 C5* G B2627 -828.839-107.383 91.973 1.00855.77 C ATOM 55339 C4* G B2627 -827.817-107.007 93.015 1.00855.77 C ATOM 55340 O4* G B2627 -828.478-106.378 94.146 1.00855.77 O ATOM 55341 C3* G B2627 -827.012-108.149 93.614 1.00855.77 C ATOM 55342 O3* G B2627 -825.879-108.429 92.793 1.00855.77 O ATOM 55343 C2* G B2627 -826.612-107.600 94.976 1.00855.77 C ATOM 55344 O2* G B2627 -825.493-106.755 94.907 1.00855.77 O ATOM 55345 C1* G B2627 -827.823-106.743 95.346 1.00855.77 C ATOM 55346 N9 G B2627 -828.758-107.468 96.196 1.00855.77 N ATOM 55347 C8 G B2627 -830.033-107.867 95.879 1.00855.77 C ATOM 55348 N7 G B2627 -830.617-108.526 96.841 1.00855.77 N ATOM 55349 C5 G B2627 -829.676-108.558 97.860 1.00855.77 C ATOM 55350 C6 G B2627 -829.737-109.137 99.152 1.00855.77 C ATOM 55351 O6 G B2627 -830.670-109.761 99.674 1.00855.77 O ATOM 55352 N1 G B2627 -828.560-108.936 99.867 1.00855.77 N ATOM 55353 C2 G B2627 -827.459-108.261 99.390 1.00855.77 C ATOM 55354 N2 G B2627 -826.411-108.170 100.226 1.00855.77 N ATOM 55355 N3 G B2627 -827.386-107.722 98.183 1.00855.77 N ATOM 55356 C4 G B2627 -828.522-107.905 97.479 1.00855.77 C ATOM 55357 P C B2628 -825.165-109.867 92.885 1.00855.77 P ATOM 55358 O1P C B2628 -823.788-109.711 92.347 1.00855.77 O ATOM 55359 O2P C B2628 -826.074-110.880 92.292 1.00855.77 O ATOM 55360 O5* C B2628 -825.055-110.144 94.450 1.00855.77 O ATOM 55361 C5* C B2628 -823.868-109.822 95.164 1.00855.77 C ATOM 55362 C4* C B2628 -823.909-110.417 96.557 1.00855.77 C ATOM 55363 O4* C B2628 -825.115-109.981 97.235 1.00855.77 O ATOM 55364 C3* C B2628 -823.945-111.924 96.646 1.00855.77 C ATOM 55365 O3* C B2628 -822.619-112.432 96.586 1.00855.77 O ATOM 55366 C2* C B2628 -824.581-112.170 98.008 1.00855.77 C ATOM 55367 O2* C B2628 -823.645-112.100 99.066 1.00855.77 O ATOM 55368 C1* C B2628 -825.557-110.998 98.117 1.00855.77 C ATOM 55369 N1 C B2628 -826.935-111.372 97.756 1.00855.77 N ATOM 55370 C2 C B2628 -827.761-111.917 98.743 1.00855.77 C ATOM 55371 O2 C B2628 -827.305-112.070 99.888 1.00855.77 O ATOM 55372 N3 C B2628 -829.028-112.265 98.428 1.00855.77 N ATOM 55373 C4 C B2628 -829.478-112.086 97.185 1.00855.77 C ATOM 55374 N4 C B2628 -830.737-112.443 96.920 1.00855.77 N ATOM 55375 C5 C B2628 -828.657-111.535 96.160 1.00855.77 C ATOM 55376 C6 C B2628 -827.403-111.195 96.484 1.00855.77 C ATOM 55377 P U B2629 -822.373-113.943 96.100 1.00855.77 P ATOM 55378 O1P U B2629 -820.988-114.012 95.563 1.00855.77 O ATOM 55379 O2P U B2629 -823.512-114.352 95.243 1.00855.77 O ATOM 55380 O5* U B2629 -822.424-114.792 97.445 1.00855.77 O ATOM 55381 C5* U B2629 -821.416-114.637 98.439 1.00855.77 C ATOM 55382 C4* U B2629 -821.516-115.733 99.475 1.00855.77 C ATOM 55383 O4* U B2629 -822.819-115.708 100.116 1.00855.77 O ATOM 55384 C3* U B2629 -821.342-117.153 98.977 1.00855.77 C ATOM 55385 O3* U B2629 -819.964-117.478 98.921 1.00855.77 O ATOM 55386 C2* U B2629 -822.073-117.974 100.037 1.00855.77 C ATOM 55387 O2* U B2629 -821.262-118.247 101.164 1.00855.77 O ATOM 55388 C1* U B2629 -823.206-117.031 100.446 1.00855.77 C ATOM 55389 N1 U B2629 -824.477-117.344 99.775 1.00855.77 N ATOM 55390 C2 U B2629 -825.164-118.463 100.208 1.00855.77 C ATOM 55391 O2 U B2629 -824.755-119.182 101.105 1.00855.77 O ATOM 55392 N3 U B2629 -826.342-118.714 99.547 1.00855.77 N ATOM 55393 C4 U B2629 -826.891-117.975 98.523 1.00855.77 C ATOM 55394 O4 U B2629 -827.964-118.333 98.031 1.00855.77 O ATOM 55395 C5 U B2629 -826.124-116.832 98.134 1.00855.77 C ATOM 55396 C6 U B2629 -824.970-116.560 98.757 1.00855.77 C ATOM 55397 P C B2630 -819.463-118.643 97.930 1.00855.77 P ATOM 55398 O1P C B2630 -818.044-118.928 98.270 1.00855.77 O ATOM 55399 O2P C B2630 -819.824-118.262 96.542 1.00855.77 O ATOM 55400 O5* C B2630 -820.338-119.901 98.357 1.00855.77 O ATOM 55401 C5* C B2630 -820.018-120.631 99.536 1.00855.77 C ATOM 55402 C4* C B2630 -821.017-121.740 99.780 1.00855.77 C ATOM 55403 O4* C B2630 -822.346-121.198 99.999 1.00855.77 O ATOM 55404 C3* C B2630 -821.126-122.708 98.616 1.00855.77 C ATOM 55405 O3* C B2630 -820.195-123.775 98.719 1.00855.77 O ATOM 55406 C2* C B2630 -822.553-123.228 98.766 1.00855.77 C ATOM 55407 O2* C B2630 -822.649-124.279 99.704 1.00855.77 O ATOM 55408 C1* C B2630 -823.288-122.008 99.315 1.00855.77 C ATOM 55409 N1 C B2630 -823.953-121.226 98.262 1.00855.77 N ATOM 55410 C2 C B2630 -825.216-121.648 97.823 1.00855.77 C ATOM 55411 O2 C B2630 -825.740-122.627 98.368 1.00855.77 O ATOM 55412 N3 C B2630 -825.828-120.976 96.820 1.00855.77 N ATOM 55413 C4 C B2630 -825.232-119.923 96.263 1.00855.77 C ATOM 55414 N4 C B2630 -825.868-119.298 95.267 1.00855.77 N ATOM 55415 C5 C B2630 -823.954-119.456 96.703 1.00855.77 C ATOM 55416 C6 C B2630 -823.356-120.131 97.697 1.00855.77 C ATOM 55417 P C B2631 -819.696-124.521 97.388 1.00855.77 P ATOM 55418 O1P C B2631 -818.806-125.637 97.802 1.00855.77 O ATOM 55419 O2P C B2631 -819.193-123.497 96.436 1.00855.77 O ATOM 55420 O5* C B2631 -821.029-125.150 96.781 1.00855.77 O ATOM 55421 C5* C B2631 -821.667-126.253 97.419 1.00855.77 C ATOM 55422 C4* C B2631 -822.688-126.874 96.494 1.00855.77 C ATOM 55423 O4* C B2631 -823.831-125.994 96.331 1.00855.77 O ATOM 55424 C3* C B2631 -822.259-127.073 95.057 1.00855.77 C ATOM 55425 O3* C B2631 -821.445-128.229 94.938 1.00855.77 O ATOM 55426 C2* C B2631 -823.569-127.189 94.287 1.00855.77 C ATOM 55427 O2* C B2631 -824.074-128.512 94.267 1.00855.77 O ATOM 55428 C1* C B2631 -824.495-126.295 95.115 1.00855.77 C ATOM 55429 N1 C B2631 -824.794-125.028 94.428 1.00855.77 N ATOM 55430 C2 C B2631 -825.895-124.969 93.568 1.00855.77 C ATOM 55431 O2 C B2631 -826.598-125.979 93.415 1.00855.77 O ATOM 55432 N3 C B2631 -826.167-123.807 92.925 1.00855.77 N ATOM 55433 C4 C B2631 -825.387-122.742 93.115 1.00855.77 C ATOM 55434 N4 C B2631 -825.689-121.618 92.461 1.00855.77 N ATOM 55435 C5 C B2631 -824.264-122.775 93.990 1.00855.77 C ATOM 55436 C6 C B2631 -824.007-123.929 94.620 1.00855.77 C ATOM 55437 P U B2632 -820.461-128.368 93.679 1.00855.77 P ATOM 55438 O1P U B2632 -819.415-129.365 94.023 1.00855.77 O ATOM 55439 O2P U B2632 -820.059-127.003 93.253 1.00855.77 O ATOM 55440 O5* U B2632 -821.385-128.989 92.540 1.00855.77 O ATOM 55441 C5* U B2632 -821.340-130.377 92.236 1.00855.77 C ATOM 55442 C4* U B2632 -821.849-130.623 90.838 1.00855.77 C ATOM 55443 O4* U B2632 -823.299-130.569 90.836 1.00855.77 O ATOM 55444 C3* U B2632 -821.511-129.579 89.803 1.00855.77 C ATOM 55445 O3* U B2632 -820.190-129.815 89.325 1.00855.77 O ATOM 55446 C2* U B2632 -822.563-129.770 88.717 1.00855.77 C ATOM 55447 O2* U B2632 -822.199-130.762 87.781 1.00855.77 O ATOM 55448 C1* U B2632 -823.765-130.252 89.536 1.00855.77 C ATOM 55449 N1 U B2632 -824.794-129.211 89.670 1.00855.77 N ATOM 55450 C2 U B2632 -825.763-129.125 88.690 1.00855.77 C ATOM 55451 O2 U B2632 -825.812-129.881 87.737 1.00855.77 O ATOM 55452 N3 U B2632 -826.678-128.116 88.863 1.00855.77 N ATOM 55453 C4 U B2632 -826.718-127.202 89.902 1.00855.77 C ATOM 55454 O4 U B2632 -827.589-126.332 89.907 1.00855.77 O ATOM 55455 C5 U B2632 -825.687-127.366 90.879 1.00855.77 C ATOM 55456 C6 U B2632 -824.783-128.338 90.735 1.00855.77 C ATOM 55457 P A B2633 -819.345-128.594 88.697 1.00855.77 P ATOM 55458 O1P A B2633 -820.317-127.687 88.038 1.00855.77 O ATOM 55459 O2P A B2633 -818.221-129.163 87.908 1.00855.77 O ATOM 55460 O5* A B2633 -818.737-127.842 89.964 1.00855.77 O ATOM 55461 C5* A B2633 -817.522-127.091 89.873 1.00855.77 C ATOM 55462 C4* A B2633 -817.759-125.669 90.333 1.00855.77 C ATOM 55463 O4* A B2633 -818.958-125.169 89.699 1.00855.77 O ATOM 55464 C3* A B2633 -818.008-125.455 91.822 1.00855.77 C ATOM 55465 O3* A B2633 -816.770-125.267 92.521 1.00855.77 O ATOM 55466 C2* A B2633 -818.823-124.164 91.864 1.00855.77 C ATOM 55467 O2* A B2633 -818.010-123.007 91.926 1.00855.77 O ATOM 55468 C1* A B2633 -819.562-124.194 90.524 1.00855.77 C ATOM 55469 N9 A B2633 -820.989-124.504 90.591 1.00855.77 N ATOM 55470 C8 A B2633 -821.566-125.684 90.986 1.00855.77 C ATOM 55471 N7 A B2633 -822.872-125.693 90.884 1.00855.77 N ATOM 55472 C5 A B2633 -823.174-124.427 90.400 1.00855.77 C ATOM 55473 C6 A B2633 -824.391-123.812 90.071 1.00855.77 C ATOM 55474 N6 A B2633 -825.571-124.419 90.168 1.00855.77 N ATOM 55475 N1 A B2633 -824.351-122.540 89.622 1.00855.77 N ATOM 55476 C2 A B2633 -823.160-121.940 89.512 1.00855.77 C ATOM 55477 N3 A B2633 -821.947-122.415 89.786 1.00855.77 N ATOM 55478 C4 A B2633 -822.025-123.678 90.230 1.00855.77 C ATOM 55479 P G B2634 -816.152-126.453 93.422 1.00855.77 P ATOM 55480 O1P G B2634 -817.257-127.134 94.135 1.00855.77 O ATOM 55481 O2P G B2634 -815.027-125.869 94.200 1.00855.77 O ATOM 55482 O5* G B2634 -815.520-127.452 92.352 1.00855.77 O ATOM 55483 C5* G B2634 -814.312-127.112 91.680 1.00855.77 C ATOM 55484 C4* G B2634 -814.515-125.916 90.777 1.00855.77 C ATOM 55485 O4* G B2634 -814.313-124.707 91.551 1.00855.77 O ATOM 55486 C3* G B2634 -813.628-125.728 89.547 1.00855.77 C ATOM 55487 O3* G B2634 -814.102-126.492 88.435 1.00855.77 O ATOM 55488 C2* G B2634 -813.740-124.233 89.289 1.00855.77 C ATOM 55489 O2* G B2634 -814.913-123.904 88.568 1.00855.77 O ATOM 55490 C1* G B2634 -813.848-123.668 90.710 1.00855.77 C ATOM 55491 N9 G B2634 -812.578-123.193 91.251 1.00855.77 N ATOM 55492 C8 G B2634 -812.145-123.323 92.548 1.00855.77 C ATOM 55493 N7 G B2634 -810.966-122.797 92.750 1.00855.77 N ATOM 55494 C5 G B2634 -810.599-122.292 91.512 1.00855.77 C ATOM 55495 C6 G B2634 -809.420-121.610 91.113 1.00855.77 C ATOM 55496 O6 G B2634 -808.436-121.303 91.793 1.00855.77 O ATOM 55497 N1 G B2634 -809.459-121.273 89.763 1.00855.77 N ATOM 55498 C2 G B2634 -810.494-121.556 88.906 1.00855.77 C ATOM 55499 N2 G B2634 -810.341-121.151 87.637 1.00855.77 N ATOM 55500 N3 G B2634 -811.600-122.190 89.266 1.00855.77 N ATOM 55501 C4 G B2634 -811.581-122.527 90.574 1.00855.77 C ATOM 55502 P U B2635 -813.178-126.640 87.124 1.00855.77 P ATOM 55503 O1P U B2635 -812.294-127.817 87.330 1.00855.77 O ATOM 55504 O2P U B2635 -812.574-125.316 86.820 1.00855.77 O ATOM 55505 O5* U B2635 -814.201-126.990 85.952 1.00855.77 O ATOM 55506 C5* U B2635 -814.690-128.318 85.772 1.00855.77 C ATOM 55507 C4* U B2635 -816.065-128.281 85.148 1.00855.77 C ATOM 55508 O4* U B2635 -816.942-127.524 86.017 1.00855.77 O ATOM 55509 C3* U B2635 -816.219-127.569 83.812 1.00855.77 C ATOM 55510 O3* U B2635 -815.882-128.444 82.737 1.00855.77 O ATOM 55511 C2* U B2635 -817.695-127.190 83.779 1.00855.77 C ATOM 55512 O2* U B2635 -818.515-128.236 83.301 1.00855.77 O ATOM 55513 C1* U B2635 -817.993-126.953 85.260 1.00855.77 C ATOM 55514 N1 U B2635 -818.095-125.535 85.630 1.00855.77 N ATOM 55515 C2 U B2635 -819.136-124.800 85.098 1.00855.77 C ATOM 55516 O2 U B2635 -819.947-125.270 84.313 1.00855.77 O ATOM 55517 N3 U B2635 -819.189-123.494 85.513 1.00855.77 N ATOM 55518 C4 U B2635 -818.323-122.857 86.377 1.00855.77 C ATOM 55519 O4 U B2635 -818.513-121.675 86.666 1.00855.77 O ATOM 55520 C5 U B2635 -817.263-123.677 86.870 1.00855.77 C ATOM 55521 C6 U B2635 -817.187-124.959 86.489 1.00855.77 C ATOM 55522 P A B2636 -815.317-127.836 81.360 1.00855.77 P ATOM 55523 O1P A B2636 -814.656-128.945 80.624 1.00855.77 O ATOM 55524 O2P A B2636 -814.553-126.602 81.666 1.00855.77 O ATOM 55525 O5* A B2636 -816.625-127.417 80.544 1.00855.77 O ATOM 55526 C5* A B2636 -817.378-128.383 79.820 1.00855.77 C ATOM 55527 C4* A B2636 -818.476-127.697 79.038 1.00855.77 C ATOM 55528 O4* A B2636 -819.361-127.022 79.965 1.00855.77 O ATOM 55529 C3* A B2636 -818.000-126.615 78.083 1.00855.77 C ATOM 55530 O3* A B2636 -817.660-127.167 76.814 1.00855.77 O ATOM 55531 C2* A B2636 -819.195-125.674 78.004 1.00855.77 C ATOM 55532 O2* A B2636 -820.164-126.104 77.066 1.00855.77 O ATOM 55533 C1* A B2636 -819.769-125.780 79.418 1.00855.77 C ATOM 55534 N9 A B2636 -819.305-124.715 80.311 1.00855.77 N ATOM 55535 C8 A B2636 -818.679-124.829 81.525 1.00855.77 C ATOM 55536 N7 A B2636 -818.390-123.680 82.085 1.00855.77 N ATOM 55537 C5 A B2636 -818.859-122.740 81.177 1.00855.77 C ATOM 55538 C6 A B2636 -818.861-121.331 81.178 1.00855.77 C ATOM 55539 N6 A B2636 -818.359-120.586 82.164 1.00855.77 N ATOM 55540 N1 A B2636 -819.409-120.704 80.116 1.00855.77 N ATOM 55541 C2 A B2636 -819.919-121.445 79.125 1.00855.77 C ATOM 55542 N3 A B2636 -819.979-122.770 79.008 1.00855.77 N ATOM 55543 C4 A B2636 -819.426-123.364 80.078 1.00855.77 C ATOM 55544 P C B2637 -816.363-126.627 76.027 1.00855.77 P ATOM 55545 O1P C B2637 -816.645-126.757 74.574 1.00855.77 O ATOM 55546 O2P C B2637 -815.162-127.279 76.602 1.00855.77 O ATOM 55547 O5* C B2637 -816.315-125.072 76.377 1.00855.77 O ATOM 55548 C5* C B2637 -817.145-124.150 75.680 1.00855.77 C ATOM 55549 C4* C B2637 -816.795-122.725 76.051 1.00855.77 C ATOM 55550 O4* C B2637 -817.105-122.479 77.445 1.00855.77 O ATOM 55551 C3* C B2637 -815.338-122.307 75.901 1.00855.77 C ATOM 55552 O3* C B2637 -815.001-121.934 74.573 1.00855.77 O ATOM 55553 C2* C B2637 -815.245-121.112 76.847 1.00855.77 C ATOM 55554 O2* C B2637 -815.691-119.911 76.251 1.00855.77 O ATOM 55555 C1* C B2637 -816.206-121.511 77.965 1.00855.77 C ATOM 55556 N1 C B2637 -815.510-122.066 79.134 1.00855.77 N ATOM 55557 C2 C B2637 -814.948-121.172 80.054 1.00855.77 C ATOM 55558 O2 C B2637 -815.088-119.952 79.866 1.00855.77 O ATOM 55559 N3 C B2637 -814.268-121.654 81.118 1.00855.77 N ATOM 55560 C4 C B2637 -814.149-122.977 81.287 1.00855.77 C ATOM 55561 N4 C B2637 -813.461-123.411 82.346 1.00855.77 N ATOM 55562 C5 C B2637 -814.724-123.909 80.373 1.00855.77 C ATOM 55563 C6 C B2637 -815.394-123.413 79.321 1.00855.77 C ATOM 55564 P G B2638 -813.477-122.061 74.079 1.00855.77 P ATOM 55565 O1P G B2638 -813.359-121.307 72.809 1.00855.77 O ATOM 55566 O2P G B2638 -813.102-123.494 74.127 1.00855.77 O ATOM 55567 O5* G B2638 -812.635-121.304 75.196 1.00855.77 O ATOM 55568 C5* G B2638 -812.535-119.881 75.210 1.00855.77 C ATOM 55569 C4* G B2638 -811.560-119.450 76.278 1.00855.77 C ATOM 55570 O4* G B2638 -812.092-119.829 77.574 1.00855.77 O ATOM 55571 C3* G B2638 -810.164-120.025 76.320 1.00855.77 C ATOM 55572 O3* G B2638 -809.334-119.407 75.345 1.00855.77 O ATOM 55573 C2* G B2638 -809.725-119.745 77.752 1.00855.77 C ATOM 55574 O2* G B2638 -809.274-118.419 77.929 1.00855.77 O ATOM 55575 C1* G B2638 -811.038-119.954 78.511 1.00855.77 C ATOM 55576 N9 G B2638 -811.118-121.294 79.080 1.00855.77 N ATOM 55577 C8 G B2638 -811.787-122.371 78.544 1.00855.77 C ATOM 55578 N7 G B2638 -811.668-123.454 79.255 1.00855.77 N ATOM 55579 C5 G B2638 -810.875-123.077 80.330 1.00855.77 C ATOM 55580 C6 G B2638 -810.405-123.831 81.433 1.00855.77 C ATOM 55581 O6 G B2638 -810.598-125.026 81.691 1.00855.77 O ATOM 55582 N1 G B2638 -809.631-123.055 82.291 1.00855.77 N ATOM 55583 C2 G B2638 -809.346-121.723 82.109 1.00855.77 C ATOM 55584 N2 G B2638 -808.582-121.152 83.048 1.00855.77 N ATOM 55585 N3 G B2638 -809.778-121.009 81.082 1.00855.77 N ATOM 55586 C4 G B2638 -810.530-121.741 80.240 1.00855.77 C ATOM 55587 P A B2639 -808.028-120.185 74.819 1.00855.77 P ATOM 55588 O1P A B2639 -807.059-119.164 74.344 1.00855.77 O ATOM 55589 O2P A B2639 -808.473-121.256 73.894 1.00855.77 O ATOM 55590 O5* A B2639 -807.439-120.869 76.132 1.00855.77 O ATOM 55591 C5* A B2639 -807.204-122.275 76.194 1.00855.77 C ATOM 55592 C4* A B2639 -805.724-122.546 76.356 1.00855.77 C ATOM 55593 O4* A B2639 -805.076-122.374 75.076 1.00855.77 O ATOM 55594 C3* A B2639 -805.030-121.584 77.302 1.00855.77 C ATOM 55595 O3* A B2639 -805.064-122.077 78.641 1.00855.77 O ATOM 55596 C2* A B2639 -803.608-121.518 76.751 1.00855.77 C ATOM 55597 O2* A B2639 -802.792-122.562 77.248 1.00855.77 O ATOM 55598 C1* A B2639 -803.832-121.721 75.251 1.00855.77 C ATOM 55599 N9 A B2639 -803.863-120.491 74.458 1.00855.77 N ATOM 55600 C8 A B2639 -804.447-120.321 73.229 1.00855.77 C ATOM 55601 N7 A B2639 -804.298-119.118 72.733 1.00855.77 N ATOM 55602 C5 A B2639 -803.574-118.447 73.705 1.00855.77 C ATOM 55603 C6 A B2639 -803.089-117.132 73.781 1.00855.77 C ATOM 55604 N6 A B2639 -803.264-116.220 72.823 1.00855.77 N ATOM 55605 N1 A B2639 -802.406-116.776 74.891 1.00855.77 N ATOM 55606 C2 A B2639 -802.224-117.692 75.854 1.00855.77 C ATOM 55607 N3 A B2639 -802.630-118.958 75.895 1.00855.77 N ATOM 55608 C4 A B2639 -803.304-119.278 74.781 1.00855.77 C ATOM 55609 P G B2640 -806.299-121.711 79.608 1.00855.77 P ATOM 55610 O1P G B2640 -806.678-122.960 80.313 1.00855.77 O ATOM 55611 O2P G B2640 -807.320-120.982 78.806 1.00855.77 O ATOM 55612 O5* G B2640 -805.689-120.708 80.682 1.00855.77 O ATOM 55613 C5* G B2640 -804.773-121.159 81.680 1.00855.77 C ATOM 55614 C4* G B2640 -803.889-120.018 82.124 1.00855.77 C ATOM 55615 O4* G B2640 -803.152-119.535 80.975 1.00855.77 O ATOM 55616 C3* G B2640 -804.672-118.813 82.647 1.00855.77 C ATOM 55617 O3* G B2640 -804.931-118.892 84.048 1.00855.77 O ATOM 55618 C2* G B2640 -803.771-117.638 82.282 1.00855.77 C ATOM 55619 O2* G B2640 -802.748-117.418 83.234 1.00855.77 O ATOM 55620 C1* G B2640 -803.143-118.119 80.972 1.00855.77 C ATOM 55621 N9 G B2640 -803.850-117.681 79.770 1.00855.77 N ATOM 55622 C8 G B2640 -804.277-118.477 78.736 1.00855.77 C ATOM 55623 N7 G B2640 -804.857-117.810 77.778 1.00855.77 N ATOM 55624 C5 G B2640 -804.821-116.491 78.209 1.00855.77 C ATOM 55625 C6 G B2640 -805.294-115.308 77.584 1.00855.77 C ATOM 55626 O6 G B2640 -805.855-115.185 76.487 1.00855.77 O ATOM 55627 N1 G B2640 -805.057-114.187 78.374 1.00855.77 N ATOM 55628 C2 G B2640 -804.443-114.197 79.600 1.00855.77 C ATOM 55629 N2 G B2640 -804.309-113.009 80.205 1.00855.77 N ATOM 55630 N3 G B2640 -803.990-115.293 80.190 1.00855.77 N ATOM 55631 C4 G B2640 -804.210-116.395 79.442 1.00855.77 C ATOM 55632 P A B2641 -806.442-119.035 84.577 1.00855.77 P ATOM 55633 O1P A B2641 -806.550-120.346 85.264 1.00855.77 O ATOM 55634 O2P A B2641 -807.362-118.717 83.455 1.00855.77 O ATOM 55635 O5* A B2641 -806.585-117.888 85.675 1.00855.77 O ATOM 55636 C5* A B2641 -805.448-117.391 86.377 1.00855.77 C ATOM 55637 C4* A B2641 -805.490-115.882 86.415 1.00855.77 C ATOM 55638 O4* A B2641 -805.585-115.378 85.058 1.00855.77 O ATOM 55639 C3* A B2641 -806.686-115.299 87.138 1.00855.77 C ATOM 55640 O3* A B2641 -806.453-115.194 88.539 1.00855.77 O ATOM 55641 C2* A B2641 -806.878-113.948 86.457 1.00855.77 C ATOM 55642 O2* A B2641 -806.032-112.945 86.979 1.00855.77 O ATOM 55643 C1* A B2641 -806.466-114.270 85.018 1.00855.77 C ATOM 55644 N9 A B2641 -807.604-114.661 84.187 1.00855.77 N ATOM 55645 C8 A B2641 -808.689-115.396 84.596 1.00855.77 C ATOM 55646 N7 A B2641 -809.577-115.604 83.660 1.00855.77 N ATOM 55647 C5 A B2641 -809.043-114.961 82.552 1.00855.77 C ATOM 55648 C6 A B2641 -809.513-114.815 81.243 1.00855.77 C ATOM 55649 N6 A B2641 -810.669-115.330 80.821 1.00855.77 N ATOM 55650 N1 A B2641 -808.749-114.119 80.374 1.00855.77 N ATOM 55651 C2 A B2641 -807.588-113.610 80.809 1.00855.77 C ATOM 55652 N3 A B2641 -807.039-113.678 82.023 1.00855.77 N ATOM 55653 C4 A B2641 -807.828-114.377 82.861 1.00855.77 C ATOM 55654 P G B2642 -807.643-115.512 89.572 1.00855.77 P ATOM 55655 O1P G B2642 -807.382-114.720 90.801 1.00855.77 O ATOM 55656 O2P G B2642 -807.786-116.990 89.668 1.00855.77 O ATOM 55657 O5* G B2642 -808.944-114.925 88.865 1.00855.77 O ATOM 55658 C5* G B2642 -810.235-115.406 89.214 1.00855.77 C ATOM 55659 C4* G B2642 -811.240-115.077 88.133 1.00855.77 C ATOM 55660 O4* G B2642 -810.751-115.534 86.845 1.00855.77 O ATOM 55661 C3* G B2642 -812.604-115.715 88.277 1.00855.77 C ATOM 55662 O3* G B2642 -813.450-114.923 89.115 1.00855.77 O ATOM 55663 C2* G B2642 -813.122-115.719 86.844 1.00855.77 C ATOM 55664 O2* G B2642 -813.681-114.465 86.501 1.00855.77 O ATOM 55665 C1* G B2642 -811.842-115.942 86.036 1.00855.77 C ATOM 55666 N9 G B2642 -811.658-117.339 85.658 1.00855.77 N ATOM 55667 C8 G B2642 -810.787-118.240 86.221 1.00855.77 C ATOM 55668 N7 G B2642 -810.853-119.427 85.680 1.00855.77 N ATOM 55669 C5 G B2642 -811.823-119.303 84.692 1.00855.77 C ATOM 55670 C6 G B2642 -812.332-120.268 83.778 1.00855.77 C ATOM 55671 O6 G B2642 -812.015-121.461 83.658 1.00855.77 O ATOM 55672 N1 G B2642 -813.306-119.725 82.950 1.00855.77 N ATOM 55673 C2 G B2642 -813.744-118.425 82.993 1.00855.77 C ATOM 55674 N2 G B2642 -814.695-118.105 82.105 1.00855.77 N ATOM 55675 N3 G B2642 -813.283-117.514 83.845 1.00855.77 N ATOM 55676 C4 G B2642 -812.330-118.020 84.660 1.00855.77 C ATOM 55677 P G B2643 -814.724-115.599 89.834 1.00855.77 P ATOM 55678 O1P G B2643 -815.461-114.507 90.518 1.00855.77 O ATOM 55679 O2P G B2643 -814.263-116.771 90.616 1.00855.77 O ATOM 55680 O5* G B2643 -815.633-116.121 88.633 1.00855.77 O ATOM 55681 C5* G B2643 -816.361-115.211 87.811 1.00855.77 C ATOM 55682 C4* G B2643 -816.994-115.933 86.645 1.00855.77 C ATOM 55683 O4* G B2643 -815.990-116.641 85.874 1.00855.77 O ATOM 55684 C3* G B2643 -818.039-116.978 87.045 1.00855.77 C ATOM 55685 O3* G B2643 -819.321-116.372 87.147 1.00855.77 O ATOM 55686 C2* G B2643 -817.964-117.992 85.905 1.00855.77 C ATOM 55687 O2* G B2643 -818.763-117.630 84.800 1.00855.77 O ATOM 55688 C1* G B2643 -816.488-117.912 85.497 1.00855.77 C ATOM 55689 N9 G B2643 -815.615-118.937 86.068 1.00855.77 N ATOM 55690 C8 G B2643 -814.780-118.795 87.147 1.00855.77 C ATOM 55691 N7 G B2643 -814.074-119.864 87.398 1.00855.77 N ATOM 55692 C5 G B2643 -814.478-120.775 86.432 1.00855.77 C ATOM 55693 C6 G B2643 -814.043-122.105 86.189 1.00855.77 C ATOM 55694 O6 G B2643 -813.181-122.757 86.784 1.00855.77 O ATOM 55695 N1 G B2643 -814.719-122.676 85.117 1.00855.77 N ATOM 55696 C2 G B2643 -815.679-122.052 84.366 1.00855.77 C ATOM 55697 N2 G B2643 -816.215-122.788 83.386 1.00855.77 N ATOM 55698 N3 G B2643 -816.084-120.805 84.565 1.00855.77 N ATOM 55699 C4 G B2643 -815.444-120.228 85.613 1.00855.77 C ATOM 55700 P A B2644 -820.600-117.264 87.526 1.00855.77 P ATOM 55701 O1P A B2644 -821.435-116.453 88.448 1.00855.77 O ATOM 55702 O2P A B2644 -820.132-118.610 87.947 1.00855.77 O ATOM 55703 O5* A B2644 -821.386-117.404 86.146 1.00855.77 O ATOM 55704 C5* A B2644 -822.746-117.828 86.124 1.00855.77 C ATOM 55705 C4* A B2644 -823.198-118.039 84.698 1.00855.77 C ATOM 55706 O4* A B2644 -822.273-118.916 84.009 1.00855.77 O ATOM 55707 C3* A B2644 -824.566-118.687 84.528 1.00855.77 C ATOM 55708 O3* A B2644 -825.637-117.750 84.603 1.00855.77 O ATOM 55709 C2* A B2644 -824.460-119.335 83.154 1.00855.77 C ATOM 55710 O2* A B2644 -824.716-118.428 82.103 1.00855.77 O ATOM 55711 C1* A B2644 -822.988-119.752 83.114 1.00855.77 C ATOM 55712 N9 A B2644 -822.777-121.140 83.521 1.00855.77 N ATOM 55713 C8 A B2644 -822.246-121.586 84.703 1.00855.77 C ATOM 55714 N7 A B2644 -822.183-122.891 84.796 1.00855.77 N ATOM 55715 C5 A B2644 -822.704-123.338 83.594 1.00855.77 C ATOM 55716 C6 A B2644 -822.908-124.625 83.078 1.00855.77 C ATOM 55717 N6 A B2644 -822.606-125.742 83.747 1.00855.77 N ATOM 55718 N1 A B2644 -823.447-124.728 81.842 1.00855.77 N ATOM 55719 C2 A B2644 -823.754-123.602 81.183 1.00855.77 C ATOM 55720 N3 A B2644 -823.610-122.334 81.564 1.00855.77 N ATOM 55721 C4 A B2644 -823.072-122.270 82.793 1.00855.77 C ATOM 55722 P C B2645 -827.127-118.267 84.916 1.00855.77 P ATOM 55723 O1P C B2645 -827.966-117.075 85.188 1.00855.77 O ATOM 55724 O2P C B2645 -827.043-119.355 85.922 1.00855.77 O ATOM 55725 O5* C B2645 -827.607-118.905 83.534 1.00855.77 O ATOM 55726 C5* C B2645 -827.957-118.076 82.429 1.00855.77 C ATOM 55727 C4* C B2645 -828.837-118.842 81.467 1.00855.77 C ATOM 55728 O4* C B2645 -828.034-119.849 80.803 1.00855.77 O ATOM 55729 C3* C B2645 -829.995-119.636 82.050 1.00855.77 C ATOM 55730 O3* C B2645 -831.138-118.813 82.266 1.00855.77 O ATOM 55731 C2* C B2645 -830.257-120.693 80.980 1.00855.77 C ATOM 55732 O2* C B2645 -831.085-120.215 79.942 1.00855.77 O ATOM 55733 C1* C B2645 -828.848-120.949 80.439 1.00855.77 C ATOM 55734 N1 C B2645 -828.225-122.168 80.978 1.00855.77 N ATOM 55735 C2 C B2645 -828.385-123.371 80.289 1.00855.77 C ATOM 55736 O2 C B2645 -829.050-123.380 79.243 1.00855.77 O ATOM 55737 N3 C B2645 -827.808-124.496 80.777 1.00855.77 N ATOM 55738 C4 C B2645 -827.100-124.445 81.906 1.00855.77 C ATOM 55739 N4 C B2645 -826.549-125.575 82.352 1.00855.77 N ATOM 55740 C5 C B2645 -826.923-123.228 82.628 1.00855.77 C ATOM 55741 C6 C B2645 -827.496-122.125 82.133 1.00855.77 C ATOM 55742 P C B2646 -831.993-118.975 83.619 1.00855.77 P ATOM 55743 O1P C B2646 -833.390-118.588 83.308 1.00855.77 O ATOM 55744 O2P C B2646 -831.265-118.282 84.716 1.00855.77 O ATOM 55745 O5* C B2646 -831.966-120.542 83.919 1.00855.77 O ATOM 55746 C5* C B2646 -832.917-121.419 83.318 1.00855.77 C ATOM 55747 C4* C B2646 -833.352-122.469 84.316 1.00855.77 C ATOM 55748 O4* C B2646 -832.347-123.515 84.364 1.00855.77 O ATOM 55749 C3* C B2646 -833.482-122.056 85.766 1.00855.77 C ATOM 55750 O3* C B2646 -834.735-121.420 86.000 1.00855.77 O ATOM 55751 C2* C B2646 -833.359-123.375 86.515 1.00855.77 C ATOM 55752 O2* C B2646 -834.581-124.085 86.572 1.00855.77 O ATOM 55753 C1* C B2646 -832.359-124.134 85.637 1.00855.77 C ATOM 55754 N1 C B2646 -831.000-124.062 86.186 1.00855.77 N ATOM 55755 C2 C B2646 -830.680-124.807 87.323 1.00855.77 C ATOM 55756 O2 C B2646 -831.552-125.535 87.825 1.00855.77 O ATOM 55757 N3 C B2646 -829.439-124.710 87.846 1.00855.77 N ATOM 55758 C4 C B2646 -828.533-123.915 87.275 1.00855.77 C ATOM 55759 N4 C B2646 -827.325-123.836 87.834 1.00855.77 N ATOM 55760 C5 C B2646 -828.823-123.161 86.103 1.00855.77 C ATOM 55761 C6 C B2646 -830.057-123.266 85.595 1.00855.77 C ATOM 55762 P G B2647 -834.789-120.083 86.890 1.00855.77 P ATOM 55763 O1P G B2647 -836.126-119.466 86.684 1.00855.77 O ATOM 55764 O2P G B2647 -833.566-119.290 86.613 1.00855.77 O ATOM 55765 O5* G B2647 -834.710-120.602 88.398 1.00855.77 O ATOM 55766 C5* G B2647 -835.865-121.112 89.062 1.00855.77 C ATOM 55767 C4* G B2647 -835.474-122.240 89.996 1.00855.77 C ATOM 55768 O4* G B2647 -834.445-123.041 89.358 1.00855.77 O ATOM 55769 C3* G B2647 -834.855-121.871 91.357 1.00855.77 C ATOM 55770 O3* G B2647 -835.765-121.492 92.387 1.00855.77 O ATOM 55771 C2* G B2647 -834.096-123.145 91.709 1.00855.77 C ATOM 55772 O2* G B2647 -834.935-124.144 92.249 1.00855.77 O ATOM 55773 C1* G B2647 -833.582-123.583 90.340 1.00855.77 C ATOM 55774 N9 G B2647 -832.240-123.066 90.087 1.00855.77 N ATOM 55775 C8 G B2647 -831.908-122.028 89.250 1.00855.77 C ATOM 55776 N7 G B2647 -830.631-121.763 89.243 1.00855.77 N ATOM 55777 C5 G B2647 -830.085-122.687 90.123 1.00855.77 C ATOM 55778 C6 G B2647 -828.742-122.886 90.525 1.00855.77 C ATOM 55779 O6 G B2647 -827.737-122.266 90.174 1.00855.77 O ATOM 55780 N1 G B2647 -828.631-123.932 91.434 1.00855.77 N ATOM 55781 C2 G B2647 -829.676-124.691 91.897 1.00855.77 C ATOM 55782 N2 G B2647 -829.360-125.658 92.775 1.00855.77 N ATOM 55783 N3 G B2647 -830.936-124.515 91.532 1.00855.77 N ATOM 55784 C4 G B2647 -831.066-123.503 90.647 1.00855.77 C ATOM 55785 P G B2648 -835.252-120.572 93.601 1.00855.77 P ATOM 55786 O1P G B2648 -836.406-119.764 94.073 1.00855.77 O ATOM 55787 O2P G B2648 -834.007-119.890 93.168 1.00855.77 O ATOM 55788 O5* G B2648 -834.868-121.608 94.752 1.00855.77 O ATOM 55789 C5* G B2648 -835.551-122.857 94.886 1.00855.77 C ATOM 55790 C4* G B2648 -834.584-123.927 95.335 1.00855.77 C ATOM 55791 O4* G B2648 -833.529-124.062 94.353 1.00855.77 O ATOM 55792 C3* G B2648 -833.884-123.599 96.650 1.00855.77 C ATOM 55793 O3* G B2648 -834.643-124.067 97.763 1.00855.77 O ATOM 55794 C2* G B2648 -832.541-124.311 96.512 1.00855.77 C ATOM 55795 O2* G B2648 -832.603-125.672 96.893 1.00855.77 O ATOM 55796 C1* G B2648 -832.282-124.215 95.006 1.00855.77 C ATOM 55797 N9 G B2648 -831.430-123.103 94.590 1.00855.77 N ATOM 55798 C8 G B2648 -831.812-122.021 93.832 1.00855.77 C ATOM 55799 N7 G B2648 -830.834-121.196 93.586 1.00855.77 N ATOM 55800 C5 G B2648 -829.738-121.758 94.219 1.00855.77 C ATOM 55801 C6 G B2648 -828.389-121.318 94.295 1.00855.77 C ATOM 55802 O6 G B2648 -827.879-120.306 93.792 1.00855.77 O ATOM 55803 N1 G B2648 -827.606-122.186 95.045 1.00855.77 N ATOM 55804 C2 G B2648 -828.057-123.338 95.644 1.00855.77 C ATOM 55805 N2 G B2648 -827.142-124.039 96.327 1.00855.77 N ATOM 55806 N3 G B2648 -829.308-123.768 95.573 1.00855.77 N ATOM 55807 C4 G B2648 -830.088-122.936 94.853 1.00855.77 C ATOM 55808 P A B2649 -835.756-123.119 98.433 1.00855.77 P ATOM 55809 O1P A B2649 -837.050-123.438 97.779 1.00855.77 O ATOM 55810 O2P A B2649 -835.254-121.722 98.431 1.00855.77 O ATOM 55811 O5* A B2649 -835.836-123.624 99.942 1.00855.77 O ATOM 55812 C5* A B2649 -835.864-122.693 101.023 1.00855.77 C ATOM 55813 C4* A B2649 -834.721-122.958 101.970 1.00855.77 C ATOM 55814 O4* A B2649 -833.674-123.683 101.272 1.00855.77 O ATOM 55815 C3* A B2649 -834.051-121.703 102.476 1.00855.77 C ATOM 55816 O3* A B2649 -834.731-121.201 103.621 1.00855.77 O ATOM 55817 C2* A B2649 -832.636-122.168 102.787 1.00855.77 C ATOM 55818 O2* A B2649 -832.531-122.784 104.056 1.00855.77 O ATOM 55819 C1* A B2649 -832.406-123.203 101.683 1.00855.77 C ATOM 55820 N9 A B2649 -831.759-122.602 100.517 1.00855.77 N ATOM 55821 C8 A B2649 -832.348-122.191 99.346 1.00855.77 C ATOM 55822 N7 A B2649 -831.507-121.667 98.489 1.00855.77 N ATOM 55823 C5 A B2649 -830.281-121.742 99.133 1.00855.77 C ATOM 55824 C6 A B2649 -828.987-121.350 98.751 1.00855.77 C ATOM 55825 N6 A B2649 -828.702-120.774 97.579 1.00855.77 N ATOM 55826 N1 A B2649 -827.979-121.565 99.627 1.00855.77 N ATOM 55827 C2 A B2649 -828.269-122.139 100.803 1.00855.77 C ATOM 55828 N3 A B2649 -829.443-122.551 101.276 1.00855.77 N ATOM 55829 C4 A B2649 -830.420-122.323 100.381 1.00855.77 C ATOM 55830 P G B2650 -835.130-119.645 103.674 1.00855.77 P ATOM 55831 O1P G B2650 -836.048-119.455 104.826 1.00855.77 O ATOM 55832 O2P G B2650 -835.562-119.229 102.315 1.00855.77 O ATOM 55833 O5* G B2650 -833.758-118.911 104.006 1.00855.77 O ATOM 55834 C5* G B2650 -832.864-119.447 104.978 1.00855.77 C ATOM 55835 C4* G B2650 -831.440-119.057 104.655 1.00855.77 C ATOM 55836 O4* G B2650 -831.107-119.488 103.305 1.00855.77 O ATOM 55837 C3* G B2650 -831.121-117.580 104.634 1.00855.77 C ATOM 55838 O3* G B2650 -830.901-117.095 105.953 1.00855.77 O ATOM 55839 C2* G B2650 -829.866-117.517 103.776 1.00855.77 C ATOM 55840 O2* G B2650 -828.693-117.827 104.503 1.00855.77 O ATOM 55841 C1* G B2650 -830.147-118.610 102.747 1.00855.77 C ATOM 55842 N9 G B2650 -830.708-118.030 101.533 1.00855.77 N ATOM 55843 C8 G B2650 -831.911-118.339 100.946 1.00855.77 C ATOM 55844 N7 G B2650 -832.163-117.617 99.887 1.00855.77 N ATOM 55845 C5 G B2650 -831.060-116.789 99.761 1.00855.77 C ATOM 55846 C6 G B2650 -830.765-115.786 98.804 1.00855.77 C ATOM 55847 O6 G B2650 -831.449-115.410 97.843 1.00855.77 O ATOM 55848 N1 G B2650 -829.533-115.188 99.047 1.00855.77 N ATOM 55849 C2 G B2650 -828.691-115.515 100.082 1.00855.77 C ATOM 55850 N2 G B2650 -827.541-114.829 100.145 1.00855.77 N ATOM 55851 N3 G B2650 -828.952-116.445 100.985 1.00855.77 N ATOM 55852 C4 G B2650 -830.147-117.037 100.764 1.00855.77 C ATOM 55853 P U B2651 -831.793-115.873 106.501 1.00855.77 P ATOM 55854 O1P U B2651 -831.910-116.026 107.970 1.00855.77 O ATOM 55855 O2P U B2651 -833.023-115.788 105.670 1.00855.77 O ATOM 55856 O5* U B2651 -830.901-114.589 106.201 1.00855.77 O ATOM 55857 C5* U B2651 -830.009-114.084 107.188 1.00855.77 C ATOM 55858 C4* U B2651 -829.400-112.774 106.742 1.00855.77 C ATOM 55859 O4* U B2651 -828.660-112.956 105.503 1.00855.77 O ATOM 55860 C3* U B2651 -830.405-111.678 106.442 1.00855.77 C ATOM 55861 O3* U B2651 -830.770-110.971 107.619 1.00855.77 O ATOM 55862 C2* U B2651 -829.648-110.790 105.462 1.00855.77 C ATOM 55863 O2* U B2651 -828.760-109.901 106.110 1.00855.77 O ATOM 55864 C1* U B2651 -828.832-111.818 104.676 1.00855.77 C ATOM 55865 N1 U B2651 -829.524-112.219 103.444 1.00855.77 N ATOM 55866 C2 U B2651 -829.341-111.428 102.320 1.00855.77 C ATOM 55867 O2 U B2651 -828.621-110.441 102.309 1.00855.77 O ATOM 55868 N3 U B2651 -830.029-111.836 101.205 1.00855.77 N ATOM 55869 C4 U B2651 -830.865-112.933 101.100 1.00855.77 C ATOM 55870 O4 U B2651 -831.438-113.160 100.036 1.00855.77 O ATOM 55871 C5 U B2651 -830.993-113.703 102.301 1.00855.77 C ATOM 55872 C6 U B2651 -830.333-113.331 103.403 1.00855.77 C ATOM 55873 P G B2652 -832.194-110.222 107.686 1.00855.77 P ATOM 55874 O1P G B2652 -832.346-109.677 109.059 1.00855.77 O ATOM 55875 O2P G B2652 -833.231-111.133 107.135 1.00855.77 O ATOM 55876 O5* G B2652 -832.020-108.998 106.682 1.00855.77 O ATOM 55877 C5* G B2652 -831.115-107.945 106.997 1.00855.77 C ATOM 55878 C4* G B2652 -831.170-106.855 105.955 1.00855.77 C ATOM 55879 O4* G B2652 -830.774-107.352 104.648 1.00855.77 O ATOM 55880 C3* G B2652 -832.507-106.205 105.649 1.00855.77 C ATOM 55881 O3* G B2652 -832.867-105.265 106.648 1.00855.77 O ATOM 55882 C2* G B2652 -832.257-105.522 104.309 1.00855.77 C ATOM 55883 O2* G B2652 -831.661-104.249 104.452 1.00855.77 O ATOM 55884 C1* G B2652 -831.263-106.478 103.646 1.00855.77 C ATOM 55885 N9 G B2652 -831.911-107.237 102.578 1.00855.77 N ATOM 55886 C8 G B2652 -832.706-108.355 102.685 1.00855.77 C ATOM 55887 N7 G B2652 -833.196-108.742 101.536 1.00855.77 N ATOM 55888 C5 G B2652 -832.682-107.837 100.617 1.00855.77 C ATOM 55889 C6 G B2652 -832.871-107.725 99.201 1.00855.77 C ATOM 55890 O6 G B2652 -833.564-108.414 98.445 1.00855.77 O ATOM 55891 N1 G B2652 -832.150-106.663 98.677 1.00855.77 N ATOM 55892 C2 G B2652 -831.365-105.806 99.397 1.00855.77 C ATOM 55893 N2 G B2652 -830.754-104.842 98.694 1.00855.77 N ATOM 55894 N3 G B2652 -831.186-105.887 100.701 1.00855.77 N ATOM 55895 C4 G B2652 -831.870-106.916 101.244 1.00855.77 C ATOM 55896 P A B2653 -834.388-104.748 106.724 1.00855.77 P ATOM 55897 O1P A B2653 -834.607-104.199 108.085 1.00855.77 O ATOM 55898 O2P A B2653 -835.276-105.821 106.210 1.00855.77 O ATOM 55899 O5* A B2653 -834.419-103.539 105.687 1.00855.77 O ATOM 55900 C5* A B2653 -833.525-102.448 105.841 1.00855.77 C ATOM 55901 C4* A B2653 -833.625-101.507 104.663 1.00855.77 C ATOM 55902 O4* A B2653 -833.227-102.164 103.438 1.00855.77 O ATOM 55903 C3* A B2653 -835.025-100.982 104.397 1.00855.77 C ATOM 55904 O3* A B2653 -835.361 -99.866 105.213 1.00855.77 O ATOM 55905 C2* A B2653 -834.948-100.596 102.924 1.00855.77 C ATOM 55906 O2* A B2653 -834.364 -99.324 102.726 1.00855.77 O ATOM 55907 C1* A B2653 -834.015-101.676 102.369 1.00855.77 C ATOM 55908 N9 A B2653 -834.773-102.793 101.817 1.00855.77 N ATOM 55909 C8 A B2653 -835.523-103.722 102.491 1.00855.77 C ATOM 55910 N7 A B2653 -836.106-104.595 101.709 1.00855.77 N ATOM 55911 C5 A B2653 -835.709-104.217 100.435 1.00855.77 C ATOM 55912 C6 A B2653 -835.994-104.740 99.166 1.00855.77 C ATOM 55913 N6 A B2653 -836.773-105.806 98.963 1.00855.77 N ATOM 55914 N1 A B2653 -835.442-104.127 98.096 1.00855.77 N ATOM 55915 C2 A B2653 -834.663-103.059 98.303 1.00855.77 C ATOM 55916 N3 A B2653 -834.321-102.475 99.447 1.00855.77 N ATOM 55917 C4 A B2653 -834.886-103.112 100.487 1.00855.77 C ATOM 55918 P A B2654 -836.612 -99.964 106.217 1.00855.77 P ATOM 55919 O1P A B2654 -836.129 -99.626 107.576 1.00855.77 O ATOM 55920 O2P A B2654 -837.292-101.267 105.984 1.00855.77 O ATOM 55921 O5* A B2654 -837.587 -98.800 105.730 1.00855.77 O ATOM 55922 C5* A B2654 -837.189 -97.433 105.803 1.00855.77 C ATOM 55923 C4* A B2654 -837.878 -96.643 104.716 1.00855.77 C ATOM 55924 O4* A B2654 -837.163 -96.824 103.470 1.00855.77 O ATOM 55925 C3* A B2654 -839.287 -97.112 104.399 1.00855.77 C ATOM 55926 O3* A B2654 -840.258 -96.581 105.290 1.00855.77 O ATOM 55927 C2* A B2654 -839.484 -96.648 102.962 1.00855.77 C ATOM 55928 O2* A B2654 -839.865 -95.288 102.877 1.00855.77 O ATOM 55929 C1* A B2654 -838.077 -96.827 102.387 1.00855.77 C ATOM 55930 N9 A B2654 -837.915 -98.098 101.683 1.00855.77 N ATOM 55931 C8 A B2654 -838.003 -99.357 102.219 1.00855.77 C ATOM 55932 N7 A B2654 -837.816-100.316 101.347 1.00855.77 N ATOM 55933 C5 A B2654 -837.589 -99.647 100.154 1.00855.77 C ATOM 55934 C6 A B2654 -837.323-100.096 98.852 1.00855.77 C ATOM 55935 N6 A B2654 -837.241-101.388 98.520 1.00855.77 N ATOM 55936 N1 A B2654 -837.146 -99.167 97.890 1.00855.77 N ATOM 55937 C2 A B2654 -837.232 -97.872 98.226 1.00855.77 C ATOM 55938 N3 A B2654 -837.477 -97.324 99.413 1.00855.77 N ATOM 55939 C4 A B2654 -837.647 -98.278 100.346 1.00855.77 C ATOM 55940 P C B2655 -841.222 -97.583 106.099 1.00855.77 P ATOM 55941 O1P C B2655 -841.906 -96.774 107.135 1.00855.77 O ATOM 55942 O2P C B2655 -840.438 -98.777 106.497 1.00855.77 O ATOM 55943 O5* C B2655 -842.304 -98.027 105.020 1.00855.77 O ATOM 55944 C5* C B2655 -842.697 -97.141 103.978 1.00855.77 C ATOM 55945 C4* C B2655 -842.968 -97.908 102.705 1.00855.77 C ATOM 55946 O4* C B2655 -841.740 -98.520 102.228 1.00855.77 O ATOM 55947 C3* C B2655 -843.913 -99.062 102.907 1.00855.77 C ATOM 55948 O3* C B2655 -845.253 -98.605 102.791 1.00855.77 O ATOM 55949 C2* C B2655 -843.531-100.016 101.782 1.00855.77 C ATOM 55950 O2* C B2655 -844.125 -99.668 100.549 1.00855.77 O ATOM 55951 C1* C B2655 -842.019 -99.810 101.707 1.00855.77 C ATOM 55952 N1 C B2655 -841.326-100.807 102.534 1.00855.77 N ATOM 55953 C2 C B2655 -841.153-102.103 102.030 1.00855.77 C ATOM 55954 O2 C B2655 -841.543-102.364 100.880 1.00855.77 O ATOM 55955 N3 C B2655 -840.561-103.038 102.805 1.00855.77 N ATOM 55956 C4 C B2655 -840.148-102.721 104.036 1.00855.77 C ATOM 55957 N4 C B2655 -839.584-103.680 104.771 1.00855.77 N ATOM 55958 C5 C B2655 -840.297-101.408 104.567 1.00855.77 C ATOM 55959 C6 C B2655 -840.885-100.492 103.786 1.00855.77 C ATOM 55960 P G B2656 -846.733 -99.092 103.984 1.00855.43 P ATOM 55961 O1P G B2656 -847.518 -97.854 103.751 1.00855.43 O ATOM 55962 O2P G B2656 -845.817 -99.174 105.149 1.00855.43 O ATOM 55963 O5* G B2656 -847.745-100.318 104.063 1.00855.43 O ATOM 55964 C5* G B2656 -849.078-100.181 103.576 1.00855.43 C ATOM 55965 C4* G B2656 -849.898-101.405 103.909 1.00855.43 C ATOM 55966 O4* G B2656 -849.420-102.563 103.167 1.00855.43 O ATOM 55967 C3* G B2656 -849.829-101.823 105.372 1.00855.43 C ATOM 55968 O3* G B2656 -850.713-101.095 106.209 1.00855.43 O ATOM 55969 C2* G B2656 -850.180-103.304 105.301 1.00855.43 C ATOM 55970 O2* G B2656 -851.577-103.528 105.223 1.00855.43 O ATOM 55971 C1* G B2656 -849.526-103.719 103.981 1.00855.43 C ATOM 55972 N9 G B2656 -848.197-104.279 104.194 1.00855.43 N ATOM 55973 C8 G B2656 -846.987-103.746 103.816 1.00855.43 C ATOM 55974 N7 G B2656 -845.969-104.484 104.179 1.00855.43 N ATOM 55975 C5 G B2656 -846.542-105.569 104.827 1.00855.43 C ATOM 55976 C6 G B2656 -845.939-106.703 105.443 1.00855.43 C ATOM 55977 O6 G B2656 -844.739-106.983 105.546 1.00855.43 O ATOM 55978 N1 G B2656 -846.894-107.560 105.978 1.00855.43 N ATOM 55979 C2 G B2656 -848.251-107.357 105.934 1.00855.43 C ATOM 55980 N2 G B2656 -849.011-108.300 106.508 1.00855.43 N ATOM 55981 N3 G B2656 -848.822-106.306 105.371 1.00855.43 N ATOM 55982 C4 G B2656 -847.912-105.460 104.840 1.00855.43 C ATOM 55983 P G B2657 -850.149-100.420 107.550 1.00855.43 P ATOM 55984 O1P G B2657 -850.562 -98.993 107.543 1.00855.43 O ATOM 55985 O2P G B2657 -848.708-100.764 107.672 1.00855.43 O ATOM 55986 O5* G B2657 -850.940-101.166 108.715 1.00855.43 O ATOM 55987 C5* G B2657 -852.306-101.524 108.551 1.00855.43 C ATOM 55988 C4* G B2657 -852.481-103.014 108.706 1.00855.43 C ATOM 55989 O4* G B2657 -851.553-103.719 107.840 1.00855.43 O ATOM 55990 C3* G B2657 -852.209-103.560 110.090 1.00855.43 C ATOM 55991 O3* G B2657 -853.371-103.427 110.895 1.00855.43 O ATOM 55992 C2* G B2657 -851.849-105.015 109.818 1.00855.43 C ATOM 55993 O2* G B2657 -852.989-105.834 109.665 1.00855.43 O ATOM 55994 C1* G B2657 -851.116-104.909 108.477 1.00855.43 C ATOM 55995 N9 G B2657 -849.668-104.825 108.649 1.00855.43 N ATOM 55996 C8 G B2657 -848.891-103.702 108.527 1.00855.43 C ATOM 55997 N7 G B2657 -847.625-103.926 108.752 1.00855.43 N ATOM 55998 C5 G B2657 -847.559-105.284 109.035 1.00855.43 C ATOM 55999 C6 G B2657 -846.447-106.100 109.359 1.00855.43 C ATOM 56000 O6 G B2657 -845.259-105.775 109.466 1.00855.43 O ATOM 56001 N1 G B2657 -846.825-107.420 109.567 1.00855.43 N ATOM 56002 C2 G B2657 -848.108-107.897 109.482 1.00855.43 C ATOM 56003 N2 G B2657 -848.262-109.210 109.723 1.00855.43 N ATOM 56004 N3 G B2657 -849.160-107.146 109.183 1.00855.43 N ATOM 56005 C4 G B2657 -848.814-105.855 108.973 1.00855.43 C ATOM 56006 P A B2658 -853.246-102.814 112.377 1.00855.43 P ATOM 56007 O1P A B2658 -854.495-102.069 112.668 1.00855.43 O ATOM 56008 O2P A B2658 -851.936-102.124 112.486 1.00855.43 O ATOM 56009 O5* A B2658 -853.206-104.099 113.314 1.00855.43 O ATOM 56010 C5* A B2658 -854.137-105.160 113.134 1.00855.43 C ATOM 56011 C4* A B2658 -853.439-106.493 113.274 1.00855.43 C ATOM 56012 O4* A B2658 -852.414-106.615 112.255 1.00855.43 O ATOM 56013 C3* A B2658 -852.714-106.660 114.586 1.00855.43 C ATOM 56014 O3* A B2658 -853.608-107.199 115.544 1.00855.43 O ATOM 56015 C2* A B2658 -851.580-107.616 114.245 1.00855.43 C ATOM 56016 O2* A B2658 -851.979-108.969 114.275 1.00855.43 O ATOM 56017 C1* A B2658 -851.250-107.201 112.812 1.00855.43 C ATOM 56018 N9 A B2658 -850.187-106.203 112.783 1.00855.43 N ATOM 56019 C8 A B2658 -850.312-104.837 112.822 1.00855.43 C ATOM 56020 N7 A B2658 -849.167-104.201 112.801 1.00855.43 N ATOM 56021 C5 A B2658 -848.222-105.217 112.739 1.00855.43 C ATOM 56022 C6 A B2658 -846.819-105.202 112.688 1.00855.43 C ATOM 56023 N6 A B2658 -846.086-104.086 112.695 1.00855.43 N ATOM 56024 N1 A B2658 -846.182-106.391 112.629 1.00855.43 N ATOM 56025 C2 A B2658 -846.914-107.512 112.622 1.00855.43 C ATOM 56026 N3 A B2658 -848.234-107.653 112.667 1.00855.43 N ATOM 56027 C4 A B2658 -848.839-106.455 112.724 1.00855.43 C ATOM 56028 P C B2659 -854.240-106.228 116.651 1.00855.43 P ATOM 56029 O1P C B2659 -855.718-106.304 116.542 1.00855.43 O ATOM 56030 O2P C B2659 -853.557-104.916 116.523 1.00855.43 O ATOM 56031 O5* C B2659 -853.800-106.882 118.034 1.00855.43 O ATOM 56032 C5* C B2659 -853.795-108.292 118.196 1.00855.43 C ATOM 56033 C4* C B2659 -852.429-108.771 118.620 1.00855.43 C ATOM 56034 O4* C B2659 -851.492-108.632 117.517 1.00855.43 O ATOM 56035 C3* C B2659 -851.846-107.949 119.748 1.00855.43 C ATOM 56036 O3* C B2659 -852.260-108.477 121.001 1.00855.43 O ATOM 56037 C2* C B2659 -850.340-108.082 119.532 1.00855.43 C ATOM 56038 O2* C B2659 -849.818-109.262 120.109 1.00855.43 O ATOM 56039 C1* C B2659 -850.243-108.180 118.009 1.00855.43 C ATOM 56040 N1 C B2659 -849.912-106.904 117.352 1.00855.43 N ATOM 56041 C2 C B2659 -848.705-106.799 116.651 1.00855.43 C ATOM 56042 O2 C B2659 -847.948-107.778 116.607 1.00855.43 O ATOM 56043 N3 C B2659 -848.397-105.633 116.038 1.00855.43 N ATOM 56044 C4 C B2659 -849.234-104.598 116.110 1.00855.43 C ATOM 56045 N4 C B2659 -848.884-103.465 115.491 1.00855.43 N ATOM 56046 C5 C B2659 -850.468-104.675 116.822 1.00855.43 C ATOM 56047 C6 C B2659 -850.766-105.838 117.420 1.00855.43 C ATOM 56048 P C B2660 -853.502-107.811 121.774 1.00855.43 P ATOM 56049 O1P C B2660 -854.743-108.308 121.124 1.00855.43 O ATOM 56050 O2P C B2660 -853.261-106.351 121.882 1.00855.43 O ATOM 56051 O5* C B2660 -853.419-108.445 123.231 1.00855.43 O ATOM 56052 C5* C B2660 -852.742-107.771 124.283 1.00855.43 C ATOM 56053 C4* C B2660 -851.292-108.187 124.314 1.00855.43 C ATOM 56054 O4* C B2660 -850.720-108.026 122.997 1.00855.43 O ATOM 56055 C3* C B2660 -850.394-107.409 125.270 1.00855.43 C ATOM 56056 O3* C B2660 -850.471-108.003 126.571 1.00855.43 O ATOM 56057 C2* C B2660 -849.021-107.478 124.594 1.00855.43 C ATOM 56058 O2* C B2660 -848.263-108.614 124.947 1.00855.43 O ATOM 56059 C1* C B2660 -849.388-107.581 123.109 1.00855.43 C ATOM 56060 N1 C B2660 -849.234-106.392 122.249 1.00855.43 N ATOM 56061 C2 C B2660 -847.980-106.082 121.704 1.00855.43 C ATOM 56062 O2 C B2660 -847.004-106.778 122.005 1.00855.43 O ATOM 56063 N3 C B2660 -847.874-105.025 120.863 1.00855.43 N ATOM 56064 C4 C B2660 -848.950-104.290 120.572 1.00855.43 C ATOM 56065 N4 C B2660 -848.802-103.269 119.720 1.00855.43 N ATOM 56066 C5 C B2660 -850.225-104.565 121.137 1.00855.43 C ATOM 56067 C6 C B2660 -850.320-105.612 121.964 1.00855.43 C ATOM 56068 P G B2661 -849.568-107.449 127.785 1.00855.43 P ATOM 56069 O1P G B2661 -850.047-108.132 129.014 1.00855.43 O ATOM 56070 O2P G B2661 -849.515-105.967 127.746 1.00855.43 O ATOM 56071 O5* G B2661 -848.118-108.025 127.464 1.00855.43 O ATOM 56072 C5* G B2661 -847.331-108.641 128.483 1.00855.43 C ATOM 56073 C4* G B2661 -846.663-109.888 127.955 1.00855.43 C ATOM 56074 O4* G B2661 -847.676-110.886 127.665 1.00855.43 O ATOM 56075 C3* G B2661 -845.918-109.711 126.650 1.00855.43 C ATOM 56076 O3* G B2661 -844.598-109.234 126.875 1.00855.43 O ATOM 56077 C2* G B2661 -845.952-111.105 126.036 1.00855.43 C ATOM 56078 O2* G B2661 -844.931-111.943 126.542 1.00855.43 O ATOM 56079 C1* G B2661 -847.315-111.617 126.508 1.00855.43 C ATOM 56080 N9 G B2661 -848.371-111.430 125.515 1.00855.43 N ATOM 56081 C8 G B2661 -849.669-111.054 125.761 1.00855.43 C ATOM 56082 N7 G B2661 -850.392-110.965 124.679 1.00855.43 N ATOM 56083 C5 G B2661 -849.518-111.303 123.654 1.00855.43 C ATOM 56084 C6 G B2661 -849.731-111.380 122.253 1.00855.43 C ATOM 56085 O6 G B2661 -850.769-111.158 121.621 1.00855.43 O ATOM 56086 N1 G B2661 -848.575-111.760 121.581 1.00855.43 N ATOM 56087 C2 G B2661 -847.369-112.032 122.175 1.00855.43 C ATOM 56088 N2 G B2661 -846.372-112.385 121.352 1.00855.43 N ATOM 56089 N3 G B2661 -847.155-111.964 123.481 1.00855.43 N ATOM 56090 C4 G B2661 -848.265-111.595 124.153 1.00855.43 C ATOM 56091 P C B2662 -843.778-108.564 125.670 1.00855.43 P ATOM 56092 O1P C B2662 -843.297-107.240 126.141 1.00855.43 O ATOM 56093 O2P C B2662 -844.608-108.647 124.443 1.00855.43 O ATOM 56094 O5* C B2662 -842.522-109.521 125.493 1.00855.43 O ATOM 56095 C5* C B2662 -841.716-109.880 126.611 1.00855.43 C ATOM 56096 C4* C B2662 -840.270-109.997 126.197 1.00855.43 C ATOM 56097 O4* C B2662 -840.166-110.860 125.034 1.00855.43 O ATOM 56098 C3* C B2662 -839.626-108.685 125.789 1.00855.43 C ATOM 56099 O3* C B2662 -839.098-108.034 126.936 1.00855.43 O ATOM 56100 C2* C B2662 -838.541-109.125 124.811 1.00855.43 C ATOM 56101 O2* C B2662 -837.351-109.521 125.467 1.00855.43 O ATOM 56102 C1* C B2662 -839.183-110.350 124.152 1.00855.43 C ATOM 56103 N1 C B2662 -839.829-110.063 122.862 1.00855.43 N ATOM 56104 C2 C B2662 -839.212-110.503 121.686 1.00855.43 C ATOM 56105 O2 C B2662 -838.136-111.117 121.768 1.00855.43 O ATOM 56106 N3 C B2662 -839.799-110.253 120.494 1.00855.43 N ATOM 56107 C4 C B2662 -840.958-109.585 120.450 1.00855.43 C ATOM 56108 N4 C B2662 -841.504-109.361 119.253 1.00855.43 N ATOM 56109 C5 C B2662 -841.606-109.123 121.631 1.00855.43 C ATOM 56110 C6 C B2662 -841.012-109.382 122.805 1.00855.43 C ATOM 56111 P U B2663 -839.645-106.583 127.353 1.00855.43 P ATOM 56112 O1P U B2663 -839.622-106.508 128.833 1.00855.43 O ATOM 56113 O2P U B2663 -840.915-106.331 126.621 1.00855.43 O ATOM 56114 O5* U B2663 -838.539-105.585 126.789 1.00855.43 O ATOM 56115 C5* U B2663 -837.303-106.079 126.288 1.00855.43 C ATOM 56116 C4* U B2663 -836.813-105.202 125.161 1.00855.43 C ATOM 56117 O4* U B2663 -837.644-105.406 123.991 1.00855.43 O ATOM 56118 C3* U B2663 -836.905-103.711 125.459 1.00855.43 C ATOM 56119 O3* U B2663 -835.764-103.226 126.161 1.00855.43 O ATOM 56120 C2* U B2663 -837.030-103.097 124.068 1.00855.43 C ATOM 56121 O2* U B2663 -835.778-102.905 123.444 1.00855.43 O ATOM 56122 C1* U B2663 -837.810-104.175 123.309 1.00855.43 C ATOM 56123 N1 U B2663 -839.251-103.913 123.162 1.00855.43 N ATOM 56124 C2 U B2663 -839.662-103.199 122.050 1.00855.43 C ATOM 56125 O2 U B2663 -838.882-102.772 121.214 1.00855.43 O ATOM 56126 N3 U B2663 -841.019-103.005 121.952 1.00855.43 N ATOM 56127 C4 U B2663 -841.984-103.442 122.836 1.00855.43 C ATOM 56128 O4 U B2663 -843.169-103.194 122.607 1.00855.43 O ATOM 56129 C5 U B2663 -841.478-104.164 123.965 1.00855.43 C ATOM 56130 C6 U B2663 -840.160-104.369 124.086 1.00855.43 C ATOM 56131 P G B2664 -835.960-102.296 127.454 1.00855.43 P ATOM 56132 O1P G B2664 -834.613-101.918 127.947 1.00855.43 O ATOM 56133 O2P G B2664 -836.920-102.960 128.375 1.00855.43 O ATOM 56134 O5* G B2664 -836.652-100.988 126.867 1.00855.43 O ATOM 56135 C5* G B2664 -837.601-100.262 127.632 1.00855.43 C ATOM 56136 C4* G B2664 -838.030 -99.027 126.885 1.00855.43 C ATOM 56137 O4* G B2664 -838.520 -99.396 125.573 1.00855.43 O ATOM 56138 C3* G B2664 -839.144 -98.189 127.478 1.00855.43 C ATOM 56139 O3* G B2664 -838.632 -97.347 128.500 1.00855.43 O ATOM 56140 C2* G B2664 -839.675 -97.428 126.269 1.00855.43 C ATOM 56141 O2* G B2664 -838.918 -96.269 125.977 1.00855.43 O ATOM 56142 C1* G B2664 -839.488 -98.455 125.146 1.00855.43 C ATOM 56143 N9 G B2664 -840.712 -99.183 124.823 1.00855.43 N ATOM 56144 C8 G B2664 -841.231-100.276 125.474 1.00855.43 C ATOM 56145 N7 G B2664 -842.348-100.706 124.946 1.00855.43 N ATOM 56146 C5 G B2664 -842.576 -99.843 123.883 1.00855.43 C ATOM 56147 C6 G B2664 -843.637 -99.797 122.926 1.00855.43 C ATOM 56148 O6 G B2664 -844.627-100.529 122.820 1.00855.43 O ATOM 56149 N1 G B2664 -843.468 -98.757 122.027 1.00855.43 N ATOM 56150 C2 G B2664 -842.431 -97.870 122.030 1.00855.43 C ATOM 56151 N2 G B2664 -842.458 -96.934 121.074 1.00855.43 N ATOM 56152 N3 G B2664 -841.439 -97.894 122.904 1.00855.43 N ATOM 56153 C4 G B2664 -841.576 -98.898 123.793 1.00855.43 C ATOM 56154 P G B2665 -839.623 -96.759 129.617 1.00855.43 P ATOM 56155 O1P G B2665 -838.785 -96.273 130.742 1.00855.43 O ATOM 56156 O2P G B2665 -840.688 -97.761 129.876 1.00855.43 O ATOM 56157 O5* G B2665 -840.279 -95.499 128.899 1.00855.43 O ATOM 56158 C5* G B2665 -839.461 -94.428 128.445 1.00855.43 C ATOM 56159 C4* G B2665 -840.209 -93.579 127.449 1.00855.43 C ATOM 56160 O4* G B2665 -840.618 -94.369 126.306 1.00855.43 O ATOM 56161 C3* G B2665 -841.485 -92.971 128.025 1.00855.43 C ATOM 56162 O3* G B2665 -841.249 -91.735 128.685 1.00855.43 O ATOM 56163 C2* G B2665 -842.369 -92.824 126.789 1.00855.43 C ATOM 56164 O2* G B2665 -842.096 -91.642 126.064 1.00855.43 O ATOM 56165 C1* G B2665 -841.947 -94.033 125.951 1.00855.43 C ATOM 56166 N9 G B2665 -842.790 -95.210 126.142 1.00855.43 N ATOM 56167 C8 G B2665 -842.777 -96.079 127.208 1.00855.43 C ATOM 56168 N7 G B2665 -843.639 -97.048 127.091 1.00855.43 N ATOM 56169 C5 G B2665 -844.270 -96.808 125.876 1.00855.43 C ATOM 56170 C6 G B2665 -845.300 -97.528 125.214 1.00855.43 C ATOM 56171 O6 G B2665 -845.880 -98.557 125.583 1.00855.43 O ATOM 56172 N1 G B2665 -845.642 -96.934 124.006 1.00855.43 N ATOM 56173 C2 G B2665 -845.071 -95.793 123.495 1.00855.43 C ATOM 56174 N2 G B2665 -845.549 -95.382 122.310 1.00855.43 N ATOM 56175 N3 G B2665 -844.108 -95.114 124.101 1.00855.43 N ATOM 56176 C4 G B2665 -843.758 -95.674 125.278 1.00855.43 C ATOM 56177 P U B2666 -842.065 -91.383 130.024 1.00855.43 P ATOM 56178 O1P U B2666 -841.465 -90.157 130.602 1.00855.43 O ATOM 56179 O2P U B2666 -842.162 -92.613 130.849 1.00855.43 O ATOM 56180 O5* U B2666 -843.521 -91.030 129.487 1.00855.43 O ATOM 56181 C5* U B2666 -843.706 -90.018 128.509 1.00855.43 C ATOM 56182 C4* U B2666 -844.981 -90.261 127.744 1.00855.43 C ATOM 56183 O4* U B2666 -844.920 -91.542 127.064 1.00855.43 O ATOM 56184 C3* U B2666 -846.235 -90.294 128.596 1.00855.43 C ATOM 56185 O3* U B2666 -846.755 -88.972 128.680 1.00855.43 O ATOM 56186 C2* U B2666 -847.162 -91.226 127.824 1.00855.43 C ATOM 56187 O2* U B2666 -847.884 -90.554 126.815 1.00855.43 O ATOM 56188 C1* U B2666 -846.171 -92.196 127.174 1.00855.43 C ATOM 56189 N1 U B2666 -845.992 -93.458 127.904 1.00855.43 N ATOM 56190 C2 U B2666 -846.798 -94.517 127.533 1.00855.43 C ATOM 56191 O2 U B2666 -847.631 -94.433 126.648 1.00855.43 O ATOM 56192 N3 U B2666 -846.594 -95.679 128.237 1.00855.43 N ATOM 56193 C4 U B2666 -845.676 -95.884 129.252 1.00855.43 C ATOM 56194 O4 U B2666 -845.604 -96.993 129.788 1.00855.43 O ATOM 56195 C5 U B2666 -844.883 -94.740 129.578 1.00855.43 C ATOM 56196 C6 U B2666 -845.062 -93.593 128.908 1.00855.43 C ATOM 56197 P C B2667 -847.640 -88.544 129.947 1.00855.43 P ATOM 56198 O1P C B2667 -848.560 -87.469 129.492 1.00855.43 O ATOM 56199 O2P C B2667 -846.730 -88.295 131.096 1.00855.43 O ATOM 56200 O5* C B2667 -848.508 -89.846 130.255 1.00855.43 O ATOM 56201 C5* C B2667 -849.835 -89.717 130.749 1.00855.43 C ATOM 56202 C4* C B2667 -849.973 -90.369 132.107 1.00855.43 C ATOM 56203 O4* C B2667 -849.668 -91.786 132.025 1.00855.43 O ATOM 56204 C3* C B2667 -849.053 -89.872 133.201 1.00855.43 C ATOM 56205 O3* C B2667 -849.536 -88.675 133.790 1.00855.43 O ATOM 56206 C2* C B2667 -849.069 -91.022 134.200 1.00855.43 C ATOM 56207 O2* C B2667 -850.184 -90.966 135.067 1.00855.43 O ATOM 56208 C1* C B2667 -849.201 -92.237 133.283 1.00855.43 C ATOM 56209 N1 C B2667 -847.909 -92.920 133.109 1.00855.43 N ATOM 56210 C2 C B2667 -847.789 -94.234 133.565 1.00855.43 C ATOM 56211 O2 C B2667 -848.786 -94.794 134.049 1.00855.43 O ATOM 56212 N3 C B2667 -846.597 -94.863 133.468 1.00855.43 N ATOM 56213 C4 C B2667 -845.553 -94.228 132.934 1.00855.43 C ATOM 56214 N4 C B2667 -844.388 -94.881 132.874 1.00855.43 N ATOM 56215 C5 C B2667 -845.652 -92.895 132.439 1.00855.43 C ATOM 56216 C6 C B2667 -846.841 -92.285 132.542 1.00855.43 C ATOM 56217 P U B2668 -848.516 -87.712 134.568 1.00855.43 P ATOM 56218 O1P U B2668 -848.587 -86.372 133.932 1.00855.43 O ATOM 56219 O2P U B2668 -847.205 -88.401 134.690 1.00855.43 O ATOM 56220 O5* U B2668 -849.157 -87.591 136.019 1.00855.43 O ATOM 56221 C5* U B2668 -850.520 -87.921 136.244 1.00855.43 C ATOM 56222 C4* U B2668 -851.344 -86.663 136.329 1.00855.43 C ATOM 56223 O4* U B2668 -850.722 -85.625 135.547 1.00855.43 O ATOM 56224 C3* U B2668 -852.785 -86.838 135.859 1.00855.43 C ATOM 56225 O3* U B2668 -853.645 -87.053 136.970 1.00855.43 O ATOM 56226 C2* U B2668 -853.097 -85.461 135.265 1.00855.43 C ATOM 56227 O2* U B2668 -853.600 -84.569 136.235 1.00855.43 O ATOM 56228 C1* U B2668 -851.718 -84.966 134.801 1.00855.43 C ATOM 56229 N1 U B2668 -851.398 -85.067 133.372 1.00855.43 N ATOM 56230 C2 U B2668 -850.983 -83.918 132.728 1.00855.43 C ATOM 56231 O2 U B2668 -850.942 -82.835 133.277 1.00855.43 O ATOM 56232 N3 U B2668 -850.625 -84.089 131.414 1.00855.43 N ATOM 56233 C4 U B2668 -850.644 -85.265 130.694 1.00855.43 C ATOM 56234 O4 U B2668 -850.210 -85.275 129.542 1.00855.43 O ATOM 56235 C5 U B2668 -851.119 -86.401 131.421 1.00855.43 C ATOM 56236 C6 U B2668 -851.474 -86.265 132.704 1.00855.43 C ATOM 56237 P C B2669 -854.968 -87.950 136.834 1.00855.43 P ATOM 56238 O1P C B2669 -854.804 -88.892 135.697 1.00855.43 O ATOM 56239 O2P C B2669 -856.148 -87.062 136.885 1.00855.43 O ATOM 56240 O5* C B2669 -854.941 -88.780 138.191 1.00855.43 O ATOM 56241 C5* C B2669 -854.110 -89.927 138.291 1.00855.43 C ATOM 56242 C4* C B2669 -853.295 -89.892 139.564 1.00855.43 C ATOM 56243 O4* C B2669 -852.503 -88.678 139.644 1.00855.43 O ATOM 56244 C3* C B2669 -854.070 -89.953 140.860 1.00855.43 C ATOM 56245 O3* C B2669 -854.297 -91.315 141.173 1.00855.43 O ATOM 56246 C2* C B2669 -853.097 -89.332 141.859 1.00855.43 C ATOM 56247 O2* C B2669 -852.152 -90.267 142.339 1.00855.43 O ATOM 56248 C1* C B2669 -852.366 -88.296 141.004 1.00855.43 C ATOM 56249 N1 C B2669 -852.839 -86.911 141.181 1.00855.43 N ATOM 56250 C2 C B2669 -852.493 -86.226 142.360 1.00855.43 C ATOM 56251 O2 C B2669 -851.819 -86.811 143.220 1.00855.43 O ATOM 56252 N3 C B2669 -852.901 -84.948 142.526 1.00855.43 N ATOM 56253 C4 C B2669 -853.625 -84.349 141.581 1.00855.43 C ATOM 56254 N4 C B2669 -854.000 -83.085 141.787 1.00855.43 N ATOM 56255 C5 C B2669 -853.998 -85.021 140.379 1.00855.43 C ATOM 56256 C6 C B2669 -853.589 -86.291 140.223 1.00855.43 C ATOM 56257 P C B2670 -854.889 -91.715 142.607 1.00855.43 P ATOM 56258 O1P C B2670 -855.782 -92.883 142.414 1.00855.43 O ATOM 56259 O2P C B2670 -855.411 -90.492 143.269 1.00855.43 O ATOM 56260 O5* C B2670 -853.596 -92.200 143.398 1.00855.43 O ATOM 56261 C5* C B2670 -853.701 -93.113 144.478 1.00855.43 C ATOM 56262 C4* C B2670 -852.401 -93.855 144.665 1.00855.43 C ATOM 56263 O4* C B2670 -851.935 -94.406 143.404 1.00855.43 O ATOM 56264 C3* C B2670 -851.195 -93.100 145.191 1.00855.43 C ATOM 56265 O3* C B2670 -851.279 -92.897 146.592 1.00855.43 O ATOM 56266 C2* C B2670 -850.040 -94.005 144.790 1.00855.43 C ATOM 56267 O2* C B2670 -849.844 -95.074 145.695 1.00855.43 O ATOM 56268 C1* C B2670 -850.521 -94.545 143.443 1.00855.43 C ATOM 56269 N1 C B2670 -849.935 -93.782 142.328 1.00855.43 N ATOM 56270 C2 C B2670 -848.591 -94.001 141.997 1.00855.43 C ATOM 56271 O2 C B2670 -847.952 -94.865 142.619 1.00855.43 O ATOM 56272 N3 C B2670 -848.029 -93.274 141.006 1.00855.43 N ATOM 56273 C4 C B2670 -848.752 -92.363 140.354 1.00855.43 C ATOM 56274 N4 C B2670 -848.152 -91.656 139.394 1.00855.43 N ATOM 56275 C5 C B2670 -850.125 -92.132 140.660 1.00855.43 C ATOM 56276 C6 C B2670 -850.673 -92.859 141.641 1.00855.43 C ATOM 56277 P C B2671 -850.349 -91.777 147.276 1.00855.43 P ATOM 56278 O1P C B2671 -850.797 -91.603 148.678 1.00855.43 O ATOM 56279 O2P C B2671 -850.305 -90.602 146.367 1.00855.43 O ATOM 56280 O5* C B2671 -848.909 -92.452 147.284 1.00855.43 O ATOM 56281 C5* C B2671 -848.658 -93.591 148.095 1.00855.43 C ATOM 56282 C4* C B2671 -847.218 -94.027 147.964 1.00855.43 C ATOM 56283 O4* C B2671 -846.882 -94.267 146.573 1.00855.43 O ATOM 56284 C3* C B2671 -846.190 -93.030 148.439 1.00855.43 C ATOM 56285 O3* C B2671 -846.012 -93.135 149.844 1.00855.43 O ATOM 56286 C2* C B2671 -844.939 -93.459 147.683 1.00855.43 C ATOM 56287 O2* C B2671 -844.295 -94.538 148.327 1.00855.43 O ATOM 56288 C1* C B2671 -845.523 -93.925 146.352 1.00855.43 C ATOM 56289 N1 C B2671 -845.457 -92.857 145.341 1.00855.43 N ATOM 56290 C2 C B2671 -844.351 -92.812 144.483 1.00855.43 C ATOM 56291 O2 C B2671 -843.491 -93.698 144.570 1.00855.43 O ATOM 56292 N3 C B2671 -844.252 -91.811 143.579 1.00855.43 N ATOM 56293 C4 C B2671 -845.203 -90.878 143.513 1.00855.43 C ATOM 56294 N4 C B2671 -845.052 -89.894 142.623 1.00855.43 N ATOM 56295 C5 C B2671 -846.354 -90.909 144.358 1.00855.43 C ATOM 56296 C6 C B2671 -846.439 -91.909 145.248 1.00855.43 C ATOM 56297 P U B2672 -845.275 -91.943 150.631 1.00855.43 P ATOM 56298 O1P U B2672 -845.340 -92.250 152.082 1.00855.43 O ATOM 56299 O2P U B2672 -845.816 -90.654 150.127 1.00855.43 O ATOM 56300 O5* U B2672 -843.757 -92.060 150.164 1.00855.43 O ATOM 56301 C5* U B2672 -842.902 -93.053 150.722 1.00855.43 C ATOM 56302 C4* U B2672 -841.525 -92.966 150.107 1.00855.43 C ATOM 56303 O4* U B2672 -841.596 -93.245 148.683 1.00855.43 O ATOM 56304 C3* U B2672 -840.781 -91.648 150.176 1.00855.43 C ATOM 56305 O3* U B2672 -840.178 -91.442 151.445 1.00855.43 O ATOM 56306 C2* U B2672 -839.752 -91.786 149.059 1.00855.43 C ATOM 56307 O2* U B2672 -838.604 -92.509 149.459 1.00855.43 O ATOM 56308 C1* U B2672 -840.529 -92.592 148.018 1.00855.43 C ATOM 56309 N1 U B2672 -841.089 -91.732 146.967 1.00855.43 N ATOM 56310 C2 U B2672 -840.387 -91.630 145.781 1.00855.43 C ATOM 56311 O2 U B2672 -839.351 -92.234 145.571 1.00855.43 O ATOM 56312 N3 U B2672 -840.945 -90.793 144.846 1.00855.43 N ATOM 56313 C4 U B2672 -842.111 -90.065 144.976 1.00855.43 C ATOM 56314 O4 U B2672 -842.471 -89.330 144.052 1.00855.43 O ATOM 56315 C5 U B2672 -842.784 -90.234 146.226 1.00855.43 C ATOM 56316 C6 U B2672 -842.265 -91.043 147.153 1.00855.43 C ATOM 56317 P G B2673 -839.820 -89.950 151.916 1.00855.43 P ATOM 56318 O1P G B2673 -839.211 -90.033 153.267 1.00855.43 O ATOM 56319 O2P G B2673 -841.016 -89.092 151.700 1.00855.43 O ATOM 56320 O5* G B2673 -838.693 -89.494 150.889 1.00855.43 O ATOM 56321 C5* G B2673 -837.392 -90.064 150.936 1.00855.43 C ATOM 56322 C4* G B2673 -836.499 -89.408 149.914 1.00855.43 C ATOM 56323 O4* G B2673 -836.998 -89.683 148.579 1.00855.43 O ATOM 56324 C3* G B2673 -836.409 -87.895 149.974 1.00855.43 C ATOM 56325 O3* G B2673 -835.472 -87.470 150.952 1.00855.43 O ATOM 56326 C2* G B2673 -835.997 -87.526 148.554 1.00855.43 C ATOM 56327 O2* G B2673 -834.606 -87.662 148.338 1.00855.43 O ATOM 56328 C1* G B2673 -836.757 -88.570 147.737 1.00855.43 C ATOM 56329 N9 G B2673 -838.047 -88.060 147.282 1.00855.43 N ATOM 56330 C8 G B2673 -839.290 -88.563 147.583 1.00855.43 C ATOM 56331 N7 G B2673 -840.264 -87.884 147.042 1.00855.43 N ATOM 56332 C5 G B2673 -839.624 -86.871 146.339 1.00855.43 C ATOM 56333 C6 G B2673 -840.161 -85.819 145.553 1.00855.43 C ATOM 56334 O6 G B2673 -841.348 -85.562 145.311 1.00855.43 O ATOM 56335 N1 G B2673 -839.155 -85.015 145.023 1.00855.43 N ATOM 56336 C2 G B2673 -837.808 -85.201 145.222 1.00855.43 C ATOM 56337 N2 G B2673 -836.995 -84.320 144.632 1.00855.43 N ATOM 56338 N3 G B2673 -837.298 -86.178 145.955 1.00855.43 N ATOM 56339 C4 G B2673 -838.256 -86.969 146.477 1.00855.43 C ATOM 56340 P C B2674 -835.931 -86.425 152.079 1.00855.43 P ATOM 56341 O1P C B2674 -834.952 -86.501 153.192 1.00855.43 O ATOM 56342 O2P C B2674 -837.376 -86.644 152.357 1.00855.43 O ATOM 56343 O5* C B2674 -835.773 -85.008 151.367 1.00855.43 O ATOM 56344 C5* C B2674 -834.483 -84.440 151.172 1.00855.43 C ATOM 56345 C4* C B2674 -834.588 -83.144 150.405 1.00855.43 C ATOM 56346 O4* C B2674 -835.170 -83.373 149.096 1.00855.43 O ATOM 56347 C3* C B2674 -835.466 -82.094 151.049 1.00855.43 C ATOM 56348 O3* C B2674 -834.736 -81.355 152.020 1.00855.43 O ATOM 56349 C2* C B2674 -835.893 -81.233 149.865 1.00855.43 C ATOM 56350 O2* C B2674 -834.936 -80.251 149.529 1.00855.43 O ATOM 56351 C1* C B2674 -835.984 -82.267 148.739 1.00855.43 C ATOM 56352 N1 C B2674 -837.358 -82.748 148.518 1.00855.43 N ATOM 56353 C2 C B2674 -838.003 -82.431 147.314 1.00855.43 C ATOM 56354 O2 C B2674 -837.394 -81.772 146.457 1.00855.43 O ATOM 56355 N3 C B2674 -839.272 -82.855 147.114 1.00855.43 N ATOM 56356 C4 C B2674 -839.894 -83.565 148.060 1.00855.43 C ATOM 56357 N4 C B2674 -841.149 -83.955 147.825 1.00855.43 N ATOM 56358 C5 C B2674 -839.260 -83.906 149.288 1.00855.43 C ATOM 56359 C6 C B2674 -838.003 -83.481 149.474 1.00855.43 C ATOM 56360 P U B2675 -835.513 -80.334 152.987 1.00855.43 P ATOM 56361 O1P U B2675 -834.650 -80.099 154.172 1.00855.43 O ATOM 56362 O2P U B2675 -836.900 -80.832 153.177 1.00855.43 O ATOM 56363 O5* U B2675 -835.574 -78.992 152.135 1.00855.43 O ATOM 56364 C5* U B2675 -834.378 -78.294 151.807 1.00855.43 C ATOM 56365 C4* U B2675 -834.701 -76.983 151.131 1.00855.43 C ATOM 56366 O4* U B2675 -835.209 -77.223 149.793 1.00855.43 O ATOM 56367 C3* U B2675 -835.785 -76.176 151.828 1.00855.43 C ATOM 56368 O3* U B2675 -835.257 -75.364 152.870 1.00855.43 O ATOM 56369 C2* U B2675 -836.357 -75.332 150.693 1.00855.43 C ATOM 56370 O2* U B2675 -835.607 -74.158 150.466 1.00855.43 O ATOM 56371 C1* U B2675 -836.208 -76.268 149.491 1.00855.43 C ATOM 56372 N1 U B2675 -837.443 -76.968 149.106 1.00855.43 N ATOM 56373 C2 U B2675 -838.290 -76.324 148.222 1.00855.43 C ATOM 56374 O2 U B2675 -838.065 -75.208 147.786 1.00855.43 O ATOM 56375 N3 U B2675 -839.409 -77.035 147.871 1.00855.43 N ATOM 56376 C4 U B2675 -839.769 -78.288 148.304 1.00855.43 C ATOM 56377 O4 U B2675 -840.788 -78.816 147.854 1.00855.43 O ATOM 56378 C5 U B2675 -838.854 -78.884 149.232 1.00855.43 C ATOM 56379 C6 U B2675 -837.751 -78.217 149.592 1.00855.43 C ATOM 56380 P G B2676 -836.192 -74.961 154.112 1.00855.43 P ATOM 56381 O1P G B2676 -835.336 -74.242 155.087 1.00855.43 O ATOM 56382 O2P G B2676 -836.944 -76.166 154.544 1.00855.43 O ATOM 56383 O5* G B2676 -837.224 -73.920 153.492 1.00855.43 O ATOM 56384 C5* G B2676 -836.767 -72.673 152.977 1.00855.43 C ATOM 56385 C4* G B2676 -837.836 -72.032 152.121 1.00855.43 C ATOM 56386 O4* G B2676 -838.066 -72.811 150.919 1.00855.43 O ATOM 56387 C3* G B2676 -839.229 -71.831 152.698 1.00855.43 C ATOM 56388 O3* G B2676 -839.286 -70.692 153.549 1.00855.43 O ATOM 56389 C2* G B2676 -840.083 -71.652 151.448 1.00855.43 C ATOM 56390 O2* G B2676 -840.057 -70.328 150.955 1.00855.43 O ATOM 56391 C1* G B2676 -839.383 -72.579 150.451 1.00855.43 C ATOM 56392 N9 G B2676 -840.061 -73.859 150.296 1.00855.43 N ATOM 56393 C8 G B2676 -839.826 -75.022 150.992 1.00855.43 C ATOM 56394 N7 G B2676 -840.610 -76.003 150.630 1.00855.43 N ATOM 56395 C5 G B2676 -841.410 -75.457 149.635 1.00855.43 C ATOM 56396 C6 G B2676 -842.450 -76.040 148.866 1.00855.43 C ATOM 56397 O6 G B2676 -842.889 -77.198 148.907 1.00855.43 O ATOM 56398 N1 G B2676 -842.995 -75.125 147.970 1.00855.43 N ATOM 56399 C2 G B2676 -842.593 -73.819 147.827 1.00855.43 C ATOM 56400 N2 G B2676 -843.242 -73.094 146.905 1.00855.43 N ATOM 56401 N3 G B2676 -841.625 -73.265 148.542 1.00855.43 N ATOM 56402 C4 G B2676 -841.082 -74.134 149.418 1.00855.43 C ATOM 56403 P U B2677 -840.182 -70.747 154.885 1.00855.43 P ATOM 56404 O1P U B2677 -839.853 -69.541 155.690 1.00855.43 O ATOM 56405 O2P U B2677 -840.032 -72.094 155.489 1.00855.43 O ATOM 56406 O5* U B2677 -841.674 -70.602 154.350 1.00855.43 O ATOM 56407 C5* U B2677 -842.264 -69.315 154.193 1.00855.43 C ATOM 56408 C4* U B2677 -843.752 -69.436 153.950 1.00855.43 C ATOM 56409 O4* U B2677 -843.995 -70.143 152.711 1.00855.43 O ATOM 56410 C3* U B2677 -844.535 -70.204 155.004 1.00855.43 C ATOM 56411 O3* U B2677 -844.906 -69.337 156.074 1.00855.43 O ATOM 56412 C2* U B2677 -845.755 -70.696 154.228 1.00855.43 C ATOM 56413 O2* U B2677 -846.771 -69.716 154.147 1.00855.43 O ATOM 56414 C1* U B2677 -845.175 -70.922 152.827 1.00855.43 C ATOM 56415 N1 U B2677 -844.835 -72.324 152.535 1.00855.43 N ATOM 56416 C2 U B2677 -845.862 -73.186 152.172 1.00855.43 C ATOM 56417 O2 U B2677 -847.030 -72.846 152.093 1.00855.43 O ATOM 56418 N3 U B2677 -845.469 -74.473 151.902 1.00855.43 N ATOM 56419 C4 U B2677 -844.191 -74.979 151.957 1.00855.43 C ATOM 56420 O4 U B2677 -843.998 -76.160 151.669 1.00855.43 O ATOM 56421 C5 U B2677 -843.190 -74.032 152.347 1.00855.43 C ATOM 56422 C6 U B2677 -843.537 -72.771 152.618 1.00855.43 C ATOM 56423 P C B2678 -845.200 -69.949 157.530 1.00855.43 P ATOM 56424 O1P C B2678 -845.060 -68.838 158.505 1.00855.43 O ATOM 56425 O2P C B2678 -844.395 -71.184 157.705 1.00855.43 O ATOM 56426 O5* C B2678 -846.742 -70.349 157.470 1.00855.43 O ATOM 56427 C5* C B2678 -847.710 -69.416 157.008 1.00855.43 C ATOM 56428 C4* C B2678 -848.953 -70.128 156.521 1.00855.43 C ATOM 56429 O4* C B2678 -848.624 -71.079 155.475 1.00855.43 O ATOM 56430 C3* C B2678 -849.695 -70.919 157.587 1.00855.43 C ATOM 56431 O3* C B2678 -850.605 -70.089 158.295 1.00855.43 O ATOM 56432 C2* C B2678 -850.427 -71.976 156.765 1.00855.43 C ATOM 56433 O2* C B2678 -851.645 -71.501 156.233 1.00855.43 O ATOM 56434 C1* C B2678 -849.443 -72.230 155.616 1.00855.43 C ATOM 56435 N1 C B2678 -848.594 -73.412 155.820 1.00855.43 N ATOM 56436 C2 C B2678 -849.072 -74.658 155.391 1.00855.43 C ATOM 56437 O2 C B2678 -850.187 -74.717 154.852 1.00855.43 O ATOM 56438 N3 C B2678 -848.309 -75.758 155.575 1.00855.43 N ATOM 56439 C4 C B2678 -847.115 -75.651 156.159 1.00855.43 C ATOM 56440 N4 C B2678 -846.397 -76.766 156.324 1.00855.43 N ATOM 56441 C5 C B2678 -846.601 -74.396 156.604 1.00855.43 C ATOM 56442 C6 C B2678 -847.367 -73.312 156.413 1.00855.43 C ATOM 56443 P G B2679 -851.195 -70.583 159.707 1.00855.43 P ATOM 56444 O1P G B2679 -852.105 -69.519 160.202 1.00855.43 O ATOM 56445 O2P G B2679 -850.063 -71.034 160.555 1.00855.43 O ATOM 56446 O5* G B2679 -852.076 -71.854 159.328 1.00855.43 O ATOM 56447 C5* G B2679 -853.376 -71.698 158.772 1.00855.43 C ATOM 56448 C4* G B2679 -854.076 -73.035 158.678 1.00855.43 C ATOM 56449 O4* G B2679 -853.371 -73.904 157.751 1.00855.43 O ATOM 56450 C3* G B2679 -854.157 -73.824 159.972 1.00855.43 C ATOM 56451 O3* G B2679 -855.259 -73.409 160.772 1.00855.43 O ATOM 56452 C2* G B2679 -854.303 -75.262 159.483 1.00855.43 C ATOM 56453 O2* G B2679 -855.639 -75.596 159.172 1.00855.43 O ATOM 56454 C1* G B2679 -853.468 -75.247 158.196 1.00855.43 C ATOM 56455 N9 G B2679 -852.119 -75.782 158.366 1.00855.43 N ATOM 56456 C8 G B2679 -850.982 -75.079 158.690 1.00855.43 C ATOM 56457 N7 G B2679 -849.920 -75.831 158.759 1.00855.43 N ATOM 56458 C5 G B2679 -850.381 -77.109 158.470 1.00855.43 C ATOM 56459 C6 G B2679 -849.684 -78.349 158.393 1.00855.43 C ATOM 56460 O6 G B2679 -848.475 -78.575 158.574 1.00855.43 O ATOM 56461 N1 G B2679 -850.538 -79.397 158.071 1.00855.43 N ATOM 56462 C2 G B2679 -851.886 -79.272 157.847 1.00855.43 C ATOM 56463 N2 G B2679 -852.537 -80.405 157.545 1.00855.43 N ATOM 56464 N3 G B2679 -852.546 -78.127 157.910 1.00855.43 N ATOM 56465 C4 G B2679 -851.737 -77.095 158.226 1.00855.43 C ATOM 56466 P U B2680 -855.035 -73.086 162.328 1.00855.43 P ATOM 56467 O1P U B2680 -856.227 -72.338 162.806 1.00855.43 O ATOM 56468 O2P U B2680 -853.686 -72.491 162.491 1.00855.43 O ATOM 56469 O5* U B2680 -855.040 -74.522 163.019 1.00855.43 O ATOM 56470 C5* U B2680 -853.994 -75.456 162.771 1.00855.43 C ATOM 56471 C4* U B2680 -854.467 -76.858 163.067 1.00855.43 C ATOM 56472 O4* U B2680 -853.781 -77.784 162.184 1.00855.43 O ATOM 56473 C3* U B2680 -854.091 -77.322 164.422 1.00855.43 C ATOM 56474 O3* U B2680 -855.105 -76.867 165.304 1.00855.43 O ATOM 56475 C2* U B2680 -854.050 -78.833 164.288 1.00855.43 C ATOM 56476 O2* U B2680 -855.328 -79.427 164.385 1.00855.43 O ATOM 56477 C1* U B2680 -853.493 -78.988 162.875 1.00855.43 C ATOM 56478 N1 U B2680 -852.029 -79.111 162.931 1.00855.43 N ATOM 56479 C2 U B2680 -851.482 -80.376 163.030 1.00855.43 C ATOM 56480 O2 U B2680 -852.153 -81.394 163.016 1.00855.43 O ATOM 56481 N3 U B2680 -850.114 -80.398 163.147 1.00855.43 N ATOM 56482 C4 U B2680 -849.262 -79.311 163.165 1.00855.43 C ATOM 56483 O4 U B2680 -848.062 -79.483 163.363 1.00855.43 O ATOM 56484 C5 U B2680 -849.910 -78.045 163.023 1.00855.43 C ATOM 56485 C6 U B2680 -851.236 -77.990 162.912 1.00855.43 C ATOM 56486 P A B2681 -854.726 -75.824 166.464 1.00855.43 P ATOM 56487 O1P A B2681 -854.080 -76.602 167.553 1.00855.43 O ATOM 56488 O2P A B2681 -855.913 -74.985 166.764 1.00855.43 O ATOM 56489 O5* A B2681 -853.611 -74.906 165.795 1.00855.43 O ATOM 56490 C5* A B2681 -852.222 -75.223 165.909 1.00855.43 C ATOM 56491 C4* A B2681 -851.619 -74.488 167.083 1.00855.43 C ATOM 56492 O4* A B2681 -852.260 -74.939 168.300 1.00855.43 O ATOM 56493 C3* A B2681 -850.151 -74.787 167.283 1.00855.43 C ATOM 56494 O3* A B2681 -849.348 -73.924 166.488 1.00855.43 O ATOM 56495 C2* A B2681 -849.959 -74.565 168.775 1.00855.43 C ATOM 56496 O2* A B2681 -849.781 -73.199 169.104 1.00855.43 O ATOM 56497 C1* A B2681 -851.300 -75.056 169.333 1.00855.43 C ATOM 56498 N9 A B2681 -851.248 -76.467 169.713 1.00855.43 N ATOM 56499 C8 A B2681 -851.774 -77.535 169.029 1.00855.43 C ATOM 56500 N7 A B2681 -851.542 -78.692 169.596 1.00855.43 N ATOM 56501 C5 A B2681 -850.817 -78.366 170.733 1.00855.43 C ATOM 56502 C6 A B2681 -850.263 -79.151 171.758 1.00855.43 C ATOM 56503 N6 A B2681 -850.351 -80.482 171.799 1.00855.43 N ATOM 56504 N1 A B2681 -849.601 -78.516 172.748 1.00855.43 N ATOM 56505 C2 A B2681 -849.508 -77.181 172.700 1.00855.43 C ATOM 56506 N3 A B2681 -849.983 -76.335 171.791 1.00855.43 N ATOM 56507 C4 A B2681 -850.634 -76.999 170.821 1.00855.43 C ATOM 56508 P C B2682 -848.250 -74.555 165.492 1.00855.43 P ATOM 56509 O1P C B2682 -847.185 -73.536 165.307 1.00855.43 O ATOM 56510 O2P C B2682 -848.965 -75.091 164.306 1.00855.43 O ATOM 56511 O5* C B2682 -847.632 -75.782 166.300 1.00855.43 O ATOM 56512 C5* C B2682 -846.537 -75.592 167.188 1.00855.43 C ATOM 56513 C4* C B2682 -846.083 -76.916 167.769 1.00855.43 C ATOM 56514 O4* C B2682 -847.135 -77.466 168.604 1.00855.43 O ATOM 56515 C3* C B2682 -845.824 -77.990 166.727 1.00855.43 C ATOM 56516 O3* C B2682 -844.522 -77.951 166.155 1.00855.43 O ATOM 56517 C2* C B2682 -846.036 -79.277 167.516 1.00855.43 C ATOM 56518 O2* C B2682 -844.897 -79.645 168.268 1.00855.43 O ATOM 56519 C1* C B2682 -847.172 -78.876 168.458 1.00855.43 C ATOM 56520 N1 C B2682 -848.476 -79.255 167.896 1.00855.43 N ATOM 56521 C2 C B2682 -849.099 -80.418 168.360 1.00855.43 C ATOM 56522 O2 C B2682 -848.550 -81.074 169.261 1.00855.43 O ATOM 56523 N3 C B2682 -850.278 -80.796 167.819 1.00855.43 N ATOM 56524 C4 C B2682 -850.837 -80.059 166.857 1.00855.43 C ATOM 56525 N4 C B2682 -851.994 -80.478 166.340 1.00855.43 N ATOM 56526 C5 C B2682 -850.236 -78.859 166.379 1.00855.43 C ATOM 56527 C6 C B2682 -849.067 -78.499 166.921 1.00855.43 C ATOM 56528 P C B2683 -844.273 -78.608 164.708 1.00855.43 P ATOM 56529 O1P C B2683 -843.116 -77.913 164.088 1.00855.43 O ATOM 56530 O2P C B2683 -845.574 -78.649 163.992 1.00855.43 O ATOM 56531 O5* C B2683 -843.838 -80.107 165.024 1.00855.43 O ATOM 56532 C5* C B2683 -842.740 -80.396 165.887 1.00855.43 C ATOM 56533 C4* C B2683 -842.793 -81.840 166.336 1.00855.43 C ATOM 56534 O4* C B2683 -844.012 -82.043 167.100 1.00855.43 O ATOM 56535 C3* C B2683 -842.885 -82.860 165.213 1.00855.43 C ATOM 56536 O3* C B2683 -841.619 -83.217 164.661 1.00855.43 O ATOM 56537 C2* C B2683 -843.569 -84.043 165.885 1.00855.43 C ATOM 56538 O2* C B2683 -842.667 -84.846 166.623 1.00855.43 O ATOM 56539 C1* C B2683 -844.530 -83.335 166.841 1.00855.43 C ATOM 56540 N1 C B2683 -845.870 -83.171 166.255 1.00855.43 N ATOM 56541 C2 C B2683 -846.792 -84.214 166.373 1.00855.43 C ATOM 56542 O2 C B2683 -846.458 -85.243 166.975 1.00855.43 O ATOM 56543 N3 C B2683 -848.020 -84.070 165.822 1.00855.43 N ATOM 56544 C4 C B2683 -848.338 -82.945 165.180 1.00855.43 C ATOM 56545 N4 C B2683 -849.559 -82.847 164.647 1.00855.43 N ATOM 56546 C5 C B2683 -847.416 -81.866 165.052 1.00855.43 C ATOM 56547 C6 C B2683 -846.209 -82.020 165.601 1.00855.43 C ATOM 56548 P A B2684 -841.530 -83.712 163.134 1.00855.43 P ATOM 56549 O1P A B2684 -840.619 -82.784 162.417 1.00855.43 O ATOM 56550 O2P A B2684 -842.911 -83.920 162.631 1.00855.43 O ATOM 56551 O5* A B2684 -840.814 -85.132 163.228 1.00855.43 O ATOM 56552 C5* A B2684 -841.026 -86.132 162.233 1.00855.43 C ATOM 56553 C4* A B2684 -841.356 -87.453 162.887 1.00855.43 C ATOM 56554 O4* A B2684 -842.198 -87.206 164.046 1.00855.43 O ATOM 56555 C3* A B2684 -842.158 -88.398 162.027 1.00855.43 C ATOM 56556 O3* A B2684 -841.338 -89.179 161.168 1.00855.43 O ATOM 56557 C2* A B2684 -842.886 -89.255 163.055 1.00855.43 C ATOM 56558 O2* A B2684 -842.060 -90.284 163.562 1.00855.43 O ATOM 56559 C1* A B2684 -843.168 -88.231 164.158 1.00855.43 C ATOM 56560 N9 A B2684 -844.482 -87.617 163.978 1.00855.43 N ATOM 56561 C8 A B2684 -844.759 -86.286 163.808 1.00855.43 C ATOM 56562 N7 A B2684 -846.032 -86.031 163.625 1.00855.43 N ATOM 56563 C5 A B2684 -846.631 -87.280 163.687 1.00855.43 C ATOM 56564 C6 A B2684 -847.969 -87.696 163.566 1.00855.43 C ATOM 56565 N6 A B2684 -848.985 -86.862 163.335 1.00855.43 N ATOM 56566 N1 A B2684 -848.228 -89.014 163.684 1.00855.43 N ATOM 56567 C2 A B2684 -847.206 -89.849 163.908 1.00855.43 C ATOM 56568 N3 A B2684 -845.912 -89.583 164.035 1.00855.43 N ATOM 56569 C4 A B2684 -845.687 -88.264 163.914 1.00855.43 C ATOM 56570 P A B2685 -841.981 -89.858 159.857 1.00855.43 P ATOM 56571 O1P A B2685 -842.111 -91.313 160.133 1.00855.43 O ATOM 56572 O2P A B2685 -841.202 -89.405 158.676 1.00855.43 O ATOM 56573 O5* A B2685 -843.447 -89.243 159.758 1.00855.43 O ATOM 56574 C5* A B2685 -844.599 -90.059 159.967 1.00855.43 C ATOM 56575 C4* A B2685 -845.859 -89.320 159.558 1.00855.43 C ATOM 56576 O4* A B2685 -846.208 -88.371 160.595 1.00855.43 O ATOM 56577 C3* A B2685 -845.816 -88.395 158.352 1.00855.43 C ATOM 56578 O3* A B2685 -845.930 -89.129 157.137 1.00855.43 O ATOM 56579 C2* A B2685 -846.997 -87.460 158.546 1.00855.43 C ATOM 56580 O2* A B2685 -848.193 -87.999 158.020 1.00855.43 O ATOM 56581 C1* A B2685 -847.086 -87.392 160.070 1.00855.43 C ATOM 56582 N9 A B2685 -846.640 -86.083 160.537 1.00855.43 N ATOM 56583 C8 A B2685 -845.363 -85.578 160.541 1.00855.43 C ATOM 56584 N7 A B2685 -845.287 -84.340 160.963 1.00855.43 N ATOM 56585 C5 A B2685 -846.602 -84.013 161.267 1.00855.43 C ATOM 56586 C6 A B2685 -847.193 -82.838 161.750 1.00855.43 C ATOM 56587 N6 A B2685 -846.505 -81.723 162.002 1.00855.43 N ATOM 56588 N1 A B2685 -848.527 -82.842 161.956 1.00855.43 N ATOM 56589 C2 A B2685 -849.212 -83.955 161.679 1.00855.43 C ATOM 56590 N3 A B2685 -848.774 -85.121 161.210 1.00855.43 N ATOM 56591 C4 A B2685 -847.441 -85.081 161.026 1.00855.43 C ATOM 56592 P C B2686 -845.500 -88.439 155.747 1.00855.43 P ATOM 56593 O1P C B2686 -845.312 -89.539 154.762 1.00855.43 O ATOM 56594 O2P C B2686 -844.385 -87.504 156.024 1.00855.43 O ATOM 56595 O5* C B2686 -846.771 -87.587 155.295 1.00855.43 O ATOM 56596 C5* C B2686 -848.001 -88.229 154.974 1.00855.43 C ATOM 56597 C4* C B2686 -849.137 -87.225 154.896 1.00855.43 C ATOM 56598 O4* C B2686 -849.240 -86.502 156.151 1.00855.43 O ATOM 56599 C3* C B2686 -849.065 -86.120 153.850 1.00855.43 C ATOM 56600 O3* C B2686 -849.539 -86.578 152.587 1.00855.43 O ATOM 56601 C2* C B2686 -850.011 -85.062 154.409 1.00855.43 C ATOM 56602 O2* C B2686 -851.359 -85.269 154.046 1.00855.43 O ATOM 56603 C1* C B2686 -849.852 -85.244 155.918 1.00855.43 C ATOM 56604 N1 C B2686 -849.041 -84.173 156.515 1.00855.43 N ATOM 56605 C2 C B2686 -849.703 -83.051 157.019 1.00855.43 C ATOM 56606 O2 C B2686 -850.942 -83.022 156.989 1.00855.43 O ATOM 56607 N3 C B2686 -848.983 -82.026 157.526 1.00855.43 N ATOM 56608 C4 C B2686 -847.650 -82.098 157.547 1.00855.43 C ATOM 56609 N4 C B2686 -846.980 -81.053 158.044 1.00855.43 N ATOM 56610 C5 C B2686 -846.948 -83.240 157.058 1.00855.43 C ATOM 56611 C6 C B2686 -847.678 -84.249 156.554 1.00855.43 C ATOM 56612 P G B2687 -849.096 -85.809 151.246 1.00855.43 P ATOM 56613 O1P G B2687 -849.281 -86.743 150.105 1.00855.43 O ATOM 56614 O2P G B2687 -847.765 -85.194 151.480 1.00855.43 O ATOM 56615 O5* G B2687 -850.162 -84.631 151.094 1.00855.43 O ATOM 56616 C5* G B2687 -851.542 -84.915 150.864 1.00855.43 C ATOM 56617 C4* G B2687 -852.381 -83.692 151.160 1.00855.43 C ATOM 56618 O4* G B2687 -852.157 -83.263 152.527 1.00855.43 O ATOM 56619 C3* G B2687 -852.091 -82.472 150.313 1.00855.43 C ATOM 56620 O3* G B2687 -852.809 -82.541 149.089 1.00855.43 O ATOM 56621 C2* G B2687 -852.547 -81.321 151.207 1.00855.43 C ATOM 56622 O2* G B2687 -853.940 -81.089 151.134 1.00855.43 O ATOM 56623 C1* G B2687 -852.189 -81.848 152.596 1.00855.43 C ATOM 56624 N9 G B2687 -850.869 -81.394 153.029 1.00855.43 N ATOM 56625 C8 G B2687 -849.678 -82.056 152.863 1.00855.43 C ATOM 56626 N7 G B2687 -848.656 -81.398 153.340 1.00855.43 N ATOM 56627 C5 G B2687 -849.205 -80.233 153.852 1.00855.43 C ATOM 56628 C6 G B2687 -848.584 -79.131 154.494 1.00855.43 C ATOM 56629 O6 G B2687 -847.384 -78.962 154.744 1.00855.43 O ATOM 56630 N1 G B2687 -849.511 -78.159 154.853 1.00855.43 N ATOM 56631 C2 G B2687 -850.864 -78.236 154.627 1.00855.43 C ATOM 56632 N2 G B2687 -851.593 -77.194 155.053 1.00855.43 N ATOM 56633 N3 G B2687 -851.456 -79.258 154.031 1.00855.43 N ATOM 56634 C4 G B2687 -850.573 -80.214 153.672 1.00855.43 C ATOM 56635 P G B2688 -852.429 -81.539 147.891 1.00855.43 P ATOM 56636 O1P G B2688 -853.269 -81.902 146.723 1.00855.43 O ATOM 56637 O2P G B2688 -850.951 -81.514 147.753 1.00855.43 O ATOM 56638 O5* G B2688 -852.908 -80.115 148.424 1.00855.43 O ATOM 56639 C5* G B2688 -854.097 -79.525 147.917 1.00855.43 C ATOM 56640 C4* G B2688 -853.940 -78.025 147.803 1.00855.43 C ATOM 56641 O4* G B2688 -853.650 -77.444 149.099 1.00855.43 O ATOM 56642 C3* G B2688 -852.818 -77.583 146.894 1.00855.43 C ATOM 56643 O3* G B2688 -853.290 -77.504 145.555 1.00855.43 O ATOM 56644 C2* G B2688 -852.452 -76.208 147.444 1.00855.43 C ATOM 56645 O2* G B2688 -853.270 -75.176 146.932 1.00855.43 O ATOM 56646 C1* G B2688 -852.732 -76.377 148.941 1.00855.43 C ATOM 56647 N9 G B2688 -851.523 -76.648 149.714 1.00855.43 N ATOM 56648 C8 G B2688 -850.766 -77.793 149.735 1.00855.43 C ATOM 56649 N7 G B2688 -849.725 -77.705 150.524 1.00855.43 N ATOM 56650 C5 G B2688 -849.807 -76.423 151.057 1.00855.43 C ATOM 56651 C6 G B2688 -848.953 -75.736 151.975 1.00855.43 C ATOM 56652 O6 G B2688 -847.917 -76.135 152.520 1.00855.43 O ATOM 56653 N1 G B2688 -849.416 -74.454 152.238 1.00855.43 N ATOM 56654 C2 G B2688 -850.542 -73.892 151.695 1.00855.43 C ATOM 56655 N2 G B2688 -850.818 -72.639 152.079 1.00855.43 N ATOM 56656 N3 G B2688 -851.337 -74.512 150.842 1.00855.43 N ATOM 56657 C4 G B2688 -850.913 -75.764 150.569 1.00855.43 C ATOM 56658 P C B2689 -852.238 -77.537 144.343 1.00855.43 P ATOM 56659 O1P C B2689 -852.975 -77.165 143.108 1.00855.43 O ATOM 56660 O2P C B2689 -851.496 -78.822 144.399 1.00855.43 O ATOM 56661 O5* C B2689 -851.224 -76.358 144.688 1.00855.43 O ATOM 56662 C5* C B2689 -851.535 -75.015 144.336 1.00855.43 C ATOM 56663 C4* C B2689 -850.273 -74.202 144.160 1.00855.43 C ATOM 56664 O4* C B2689 -849.706 -73.871 145.454 1.00855.43 O ATOM 56665 C3* C B2689 -849.130 -74.880 143.419 1.00855.43 C ATOM 56666 O3* C B2689 -849.259 -74.852 142.005 1.00855.43 O ATOM 56667 C2* C B2689 -847.920 -74.081 143.890 1.00855.43 C ATOM 56668 O2* C B2689 -847.754 -72.872 143.178 1.00855.43 O ATOM 56669 C1* C B2689 -848.297 -73.771 145.340 1.00855.43 C ATOM 56670 N1 C B2689 -847.674 -74.724 146.268 1.00855.43 N ATOM 56671 C2 C B2689 -846.283 -74.728 146.386 1.00855.43 C ATOM 56672 O2 C B2689 -845.628 -73.898 145.737 1.00855.43 O ATOM 56673 N3 C B2689 -845.689 -75.629 147.200 1.00855.43 N ATOM 56674 C4 C B2689 -846.434 -76.496 147.889 1.00855.43 C ATOM 56675 N4 C B2689 -845.801 -77.375 148.671 1.00855.43 N ATOM 56676 C5 C B2689 -847.855 -76.506 147.804 1.00855.43 C ATOM 56677 C6 C B2689 -848.430 -75.608 146.991 1.00855.43 C ATOM 56678 P A B2690 -849.007 -76.198 141.164 1.00855.43 P ATOM 56679 O1P A B2690 -850.084 -76.295 140.147 1.00855.43 O ATOM 56680 O2P A B2690 -848.805 -77.313 142.125 1.00855.43 O ATOM 56681 O5* A B2690 -847.630 -75.930 140.411 1.00855.43 O ATOM 56682 C5* A B2690 -847.408 -74.704 139.724 1.00855.43 C ATOM 56683 C4* A B2690 -846.109 -74.068 140.161 1.00855.43 C ATOM 56684 O4* A B2690 -846.029 -74.017 141.607 1.00855.43 O ATOM 56685 C3* A B2690 -844.811 -74.734 139.710 1.00855.43 C ATOM 56686 O3* A B2690 -844.464 -74.295 138.403 1.00855.43 O ATOM 56687 C2* A B2690 -843.809 -74.247 140.753 1.00855.43 C ATOM 56688 O2* A B2690 -843.264 -72.982 140.437 1.00855.43 O ATOM 56689 C1* A B2690 -844.677 -74.122 142.009 1.00855.43 C ATOM 56690 N9 A B2690 -844.543 -75.236 142.948 1.00855.43 N ATOM 56691 C8 A B2690 -845.405 -76.280 143.168 1.00855.43 C ATOM 56692 N7 A B2690 -844.995 -77.116 144.093 1.00855.43 N ATOM 56693 C5 A B2690 -843.784 -76.584 144.509 1.00855.43 C ATOM 56694 C6 A B2690 -842.847 -76.998 145.476 1.00855.43 C ATOM 56695 N6 A B2690 -842.995 -78.086 146.233 1.00855.43 N ATOM 56696 N1 A B2690 -841.738 -76.244 145.640 1.00855.43 N ATOM 56697 C2 A B2690 -841.591 -75.148 144.884 1.00855.43 C ATOM 56698 N3 A B2690 -842.400 -74.655 143.949 1.00855.43 N ATOM 56699 C4 A B2690 -843.491 -75.428 143.809 1.00855.43 C ATOM 56700 P C B2691 -843.251 -74.995 137.613 1.00855.43 P ATOM 56701 O1P C B2691 -842.458 -75.778 138.595 1.00855.43 O ATOM 56702 O2P C B2691 -842.578 -73.956 136.790 1.00855.43 O ATOM 56703 O5* C B2691 -843.960 -76.028 136.627 1.00855.43 O ATOM 56704 C5* C B2691 -845.317 -76.411 136.814 1.00855.43 C ATOM 56705 C4* C B2691 -846.182 -75.808 135.730 1.00855.43 C ATOM 56706 O4* C B2691 -845.795 -76.347 134.441 1.00855.43 O ATOM 56707 C3* C B2691 -847.676 -76.093 135.827 1.00855.43 C ATOM 56708 O3* C B2691 -848.311 -75.194 136.731 1.00855.43 O ATOM 56709 C2* C B2691 -848.147 -75.920 134.385 1.00855.43 C ATOM 56710 O2* C B2691 -848.424 -74.574 134.062 1.00855.43 O ATOM 56711 C1* C B2691 -846.925 -76.395 133.592 1.00855.43 C ATOM 56712 N1 C B2691 -847.029 -77.755 133.042 1.00855.43 N ATOM 56713 C2 C B2691 -847.376 -77.914 131.697 1.00855.43 C ATOM 56714 O2 C B2691 -847.599 -76.901 131.014 1.00855.43 O ATOM 56715 N3 C B2691 -847.457 -79.159 131.177 1.00855.43 N ATOM 56716 C4 C B2691 -847.210 -80.221 131.944 1.00855.43 C ATOM 56717 N4 C B2691 -847.295 -81.430 131.386 1.00855.43 N ATOM 56718 C5 C B2691 -846.865 -80.092 133.320 1.00855.43 C ATOM 56719 C6 C B2691 -846.788 -78.850 133.827 1.00855.43 C ATOM 56720 P A B2692 -849.852 -75.418 137.148 1.00855.43 P ATOM 56721 O1P A B2692 -850.660 -75.378 135.904 1.00855.43 O ATOM 56722 O2P A B2692 -850.159 -74.471 138.248 1.00855.43 O ATOM 56723 O5* A B2692 -849.915 -76.895 137.751 1.00855.43 O ATOM 56724 C5* A B2692 -850.232 -78.022 136.934 1.00855.43 C ATOM 56725 C4* A B2692 -851.714 -78.295 136.965 1.00855.43 C ATOM 56726 O4* A B2692 -852.390 -77.331 136.113 1.00855.43 O ATOM 56727 C3* A B2692 -852.120 -79.620 136.390 1.00855.43 C ATOM 56728 O3* A B2692 -852.001 -80.617 137.399 1.00855.43 O ATOM 56729 C2* A B2692 -853.558 -79.393 135.948 1.00855.43 C ATOM 56730 O2* A B2692 -854.485 -79.527 137.007 1.00855.43 O ATOM 56731 C1* A B2692 -853.504 -77.937 135.482 1.00855.43 C ATOM 56732 N9 A B2692 -853.300 -77.831 134.036 1.00855.43 N ATOM 56733 C8 A B2692 -852.630 -78.719 133.229 1.00855.43 C ATOM 56734 N7 A B2692 -852.586 -78.364 131.972 1.00855.43 N ATOM 56735 C5 A B2692 -853.280 -77.163 131.939 1.00855.43 C ATOM 56736 C6 A B2692 -853.587 -76.278 130.895 1.00855.43 C ATOM 56737 N6 A B2692 -853.217 -76.471 129.628 1.00855.43 N ATOM 56738 N1 A B2692 -854.294 -75.168 131.201 1.00855.43 N ATOM 56739 C2 A B2692 -854.661 -74.972 132.474 1.00855.43 C ATOM 56740 N3 A B2692 -854.435 -75.731 133.542 1.00855.43 N ATOM 56741 C4 A B2692 -853.731 -76.825 133.204 1.00855.43 C ATOM 56742 P U B2693 -850.997 -81.851 137.168 1.00855.43 P ATOM 56743 O1P U B2693 -850.412 -81.702 135.814 1.00855.43 O ATOM 56744 O2P U B2693 -851.726 -83.096 137.521 1.00855.43 O ATOM 56745 O5* U B2693 -849.835 -81.637 138.238 1.00855.43 O ATOM 56746 C5* U B2693 -850.065 -81.912 139.616 1.00855.43 C ATOM 56747 C4* U B2693 -848.916 -82.696 140.214 1.00855.43 C ATOM 56748 O4* U B2693 -848.778 -83.990 139.571 1.00855.43 O ATOM 56749 C3* U B2693 -847.571 -82.015 140.079 1.00855.43 C ATOM 56750 O3* U B2693 -847.351 -81.141 141.177 1.00855.43 O ATOM 56751 C2* U B2693 -846.599 -83.190 140.123 1.00855.43 C ATOM 56752 O2* U B2693 -846.299 -83.597 141.444 1.00855.43 O ATOM 56753 C1* U B2693 -847.400 -84.292 139.428 1.00855.43 C ATOM 56754 N1 U B2693 -847.061 -84.423 138.003 1.00855.43 N ATOM 56755 C2 U B2693 -845.925 -85.137 137.677 1.00855.43 C ATOM 56756 O2 U B2693 -845.235 -85.699 138.510 1.00855.43 O ATOM 56757 N3 U B2693 -845.624 -85.168 136.337 1.00855.43 N ATOM 56758 C4 U B2693 -846.335 -84.580 135.312 1.00855.43 C ATOM 56759 O4 U B2693 -845.903 -84.644 134.162 1.00855.43 O ATOM 56760 C5 U B2693 -847.515 -83.883 135.726 1.00855.43 C ATOM 56761 C6 U B2693 -847.832 -83.833 137.026 1.00855.43 C ATOM 56762 P G B2694 -847.007 -79.598 140.901 1.00855.43 P ATOM 56763 O1P G B2694 -846.739 -78.958 142.211 1.00855.43 O ATOM 56764 O2P G B2694 -848.065 -79.043 140.017 1.00855.43 O ATOM 56765 O5* G B2694 -845.643 -79.637 140.074 1.00855.43 O ATOM 56766 C5* G B2694 -845.244 -78.524 139.275 1.00855.43 C ATOM 56767 C4* G B2694 -843.883 -78.022 139.696 1.00855.43 C ATOM 56768 O4* G B2694 -843.878 -77.805 141.132 1.00855.43 O ATOM 56769 C3* G B2694 -842.710 -78.950 139.426 1.00855.43 C ATOM 56770 O3* G B2694 -842.200 -78.696 138.121 1.00855.43 O ATOM 56771 C2* G B2694 -841.705 -78.556 140.506 1.00855.43 C ATOM 56772 O2* G B2694 -840.935 -77.427 140.142 1.00855.43 O ATOM 56773 C1* G B2694 -842.623 -78.186 141.670 1.00855.43 C ATOM 56774 N9 G B2694 -842.848 -79.299 142.590 1.00855.43 N ATOM 56775 C8 G B2694 -843.945 -80.123 142.634 1.00855.43 C ATOM 56776 N7 G B2694 -843.863 -81.035 143.563 1.00855.43 N ATOM 56777 C5 G B2694 -842.640 -80.799 144.171 1.00855.43 C ATOM 56778 C6 G B2694 -842.005 -81.470 145.246 1.00855.43 C ATOM 56779 O6 G B2694 -842.411 -82.436 145.899 1.00855.43 O ATOM 56780 N1 G B2694 -840.769 -80.903 145.548 1.00855.43 N ATOM 56781 C2 G B2694 -840.213 -79.829 144.897 1.00855.43 C ATOM 56782 N2 G B2694 -839.010 -79.434 145.341 1.00855.43 N ATOM 56783 N3 G B2694 -840.794 -79.194 143.890 1.00855.43 N ATOM 56784 C4 G B2694 -841.997 -79.730 143.581 1.00855.43 C ATOM 56785 P C B2695 -841.477 -79.876 137.302 1.00855.43 P ATOM 56786 O1P C B2695 -841.043 -79.305 136.001 1.00855.43 O ATOM 56787 O2P C B2695 -842.352 -81.073 137.326 1.00855.43 O ATOM 56788 O5* C B2695 -840.167 -80.201 138.152 1.00855.43 O ATOM 56789 C5* C B2695 -839.068 -79.295 138.181 1.00855.43 C ATOM 56790 C4* C B2695 -838.126 -79.657 139.305 1.00855.43 C ATOM 56791 O4* C B2695 -838.860 -79.644 140.559 1.00855.43 O ATOM 56792 C3* C B2695 -837.496 -81.045 139.257 1.00855.43 C ATOM 56793 O3* C B2695 -836.345 -81.108 138.422 1.00855.43 O ATOM 56794 C2* C B2695 -837.156 -81.302 140.719 1.00855.43 C ATOM 56795 O2* C B2695 -835.940 -80.705 141.115 1.00855.43 O ATOM 56796 C1* C B2695 -838.325 -80.622 141.434 1.00855.43 C ATOM 56797 N1 C B2695 -839.395 -81.573 141.773 1.00855.43 N ATOM 56798 C2 C B2695 -839.271 -82.331 142.933 1.00855.43 C ATOM 56799 O2 C B2695 -838.272 -82.169 143.646 1.00855.43 O ATOM 56800 N3 C B2695 -840.240 -83.220 143.254 1.00855.43 N ATOM 56801 C4 C B2695 -841.303 -83.362 142.458 1.00855.43 C ATOM 56802 N4 C B2695 -842.232 -84.256 142.809 1.00855.43 N ATOM 56803 C5 C B2695 -841.456 -82.594 141.268 1.00855.43 C ATOM 56804 C6 C B2695 -840.490 -81.718 140.966 1.00855.43 C ATOM 56805 P A B2696 -836.187 -82.332 137.394 1.00855.43 P ATOM 56806 O1P A B2696 -835.038 -82.019 136.504 1.00855.43 O ATOM 56807 O2P A B2696 -837.518 -82.620 136.801 1.00855.43 O ATOM 56808 O5* A B2696 -835.775 -83.560 138.323 1.00855.43 O ATOM 56809 C5* A B2696 -834.420 -83.991 138.390 1.00855.43 C ATOM 56810 C4* A B2696 -834.334 -85.403 138.924 1.00855.43 C ATOM 56811 O4* A B2696 -834.695 -85.433 140.332 1.00855.43 O ATOM 56812 C3* A B2696 -835.183 -86.513 138.324 1.00855.43 C ATOM 56813 O3* A B2696 -834.654 -86.990 137.097 1.00855.43 O ATOM 56814 C2* A B2696 -835.142 -87.581 139.411 1.00855.43 C ATOM 56815 O2* A B2696 -833.969 -88.369 139.357 1.00855.43 O ATOM 56816 C1* A B2696 -835.139 -86.733 140.682 1.00855.43 C ATOM 56817 N9 A B2696 -836.483 -86.641 141.245 1.00855.43 N ATOM 56818 C8 A B2696 -837.356 -85.583 141.198 1.00855.43 C ATOM 56819 N7 A B2696 -838.512 -85.825 141.771 1.00855.43 N ATOM 56820 C5 A B2696 -838.386 -87.127 142.233 1.00855.43 C ATOM 56821 C6 A B2696 -839.270 -87.974 142.926 1.00855.43 C ATOM 56822 N6 A B2696 -840.504 -87.621 143.285 1.00855.43 N ATOM 56823 N1 A B2696 -838.836 -89.216 143.235 1.00855.43 N ATOM 56824 C2 A B2696 -837.597 -89.572 142.871 1.00855.43 C ATOM 56825 N3 A B2696 -836.678 -88.864 142.216 1.00855.43 N ATOM 56826 C4 A B2696 -837.140 -87.639 141.925 1.00855.43 C ATOM 56827 P G B2697 -835.642 -87.695 136.040 1.00855.43 P ATOM 56828 O1P G B2697 -834.836 -88.084 134.858 1.00855.43 O ATOM 56829 O2P G B2697 -836.832 -86.826 135.867 1.00855.43 O ATOM 56830 O5* G B2697 -836.107 -89.025 136.789 1.00855.43 O ATOM 56831 C5* G B2697 -835.181 -90.076 137.043 1.00855.43 C ATOM 56832 C4* G B2697 -835.863 -91.209 137.771 1.00855.43 C ATOM 56833 O4* G B2697 -836.379 -90.751 139.048 1.00855.43 O ATOM 56834 C3* G B2697 -837.078 -91.892 137.151 1.00855.43 C ATOM 56835 O3* G B2697 -836.770 -92.761 136.073 1.00855.43 O ATOM 56836 C2* G B2697 -837.690 -92.607 138.347 1.00855.43 C ATOM 56837 O2* G B2697 -837.050 -93.833 138.641 1.00855.43 O ATOM 56838 C1* G B2697 -837.431 -91.603 139.472 1.00855.43 C ATOM 56839 N9 G B2697 -838.610 -90.787 139.734 1.00855.43 N ATOM 56840 C8 G B2697 -838.915 -89.566 139.184 1.00855.43 C ATOM 56841 N7 G B2697 -840.056 -89.085 139.596 1.00855.43 N ATOM 56842 C5 G B2697 -840.533 -90.047 140.477 1.00855.43 C ATOM 56843 C6 G B2697 -841.737 -90.088 141.237 1.00855.43 C ATOM 56844 O6 G B2697 -842.649 -89.253 141.285 1.00855.43 O ATOM 56845 N1 G B2697 -841.820 -91.252 141.993 1.00855.43 N ATOM 56846 C2 G B2697 -840.878 -92.249 142.021 1.00855.43 C ATOM 56847 N2 G B2697 -841.146 -93.294 142.815 1.00855.43 N ATOM 56848 N3 G B2697 -839.757 -92.222 141.320 1.00855.43 N ATOM 56849 C4 G B2697 -839.650 -91.102 140.575 1.00855.43 C ATOM 56850 P G B2698 -837.933 -93.176 135.045 1.00855.43 P ATOM 56851 O1P G B2698 -837.319 -93.929 133.924 1.00855.43 O ATOM 56852 O2P G B2698 -838.737 -91.963 134.752 1.00855.43 O ATOM 56853 O5* G B2698 -838.846 -94.170 135.890 1.00855.43 O ATOM 56854 C5* G B2698 -838.295 -95.359 136.442 1.00855.43 C ATOM 56855 C4* G B2698 -839.195 -95.910 137.513 1.00855.43 C ATOM 56856 O4* G B2698 -839.447 -94.905 138.520 1.00855.43 O ATOM 56857 C3* G B2698 -840.564 -96.421 137.075 1.00855.43 C ATOM 56858 O3* G B2698 -840.491 -97.746 136.558 1.00855.43 O ATOM 56859 C2* G B2698 -841.347 -96.349 138.385 1.00855.43 C ATOM 56860 O2* G B2698 -841.357 -97.484 139.205 1.00855.43 O ATOM 56861 C1* G B2698 -840.695 -95.176 139.117 1.00855.43 C ATOM 56862 N9 G B2698 -841.545 -94.005 139.006 1.00855.43 N ATOM 56863 C8 G B2698 -841.386 -92.922 138.182 1.00855.43 C ATOM 56864 N7 G B2698 -842.368 -92.069 138.269 1.00855.43 N ATOM 56865 C5 G B2698 -843.217 -92.624 139.216 1.00855.43 C ATOM 56866 C6 G B2698 -844.456 -92.164 139.726 1.00855.43 C ATOM 56867 O6 G B2698 -845.074 -91.143 139.422 1.00855.43 O ATOM 56868 N1 G B2698 -844.973 -93.034 140.679 1.00855.43 N ATOM 56869 C2 G B2698 -844.380 -94.202 141.089 1.00855.43 C ATOM 56870 N2 G B2698 -845.039 -94.906 142.022 1.00855.43 N ATOM 56871 N3 G B2698 -843.229 -94.646 140.619 1.00855.43 N ATOM 56872 C4 G B2698 -842.709 -93.809 139.690 1.00855.43 C ATOM 56873 P G B2699 -841.174 -98.093 135.146 1.00855.43 P ATOM 56874 O1P G B2699 -840.188 -98.875 134.357 1.00855.43 O ATOM 56875 O2P G B2699 -841.732 -96.839 134.585 1.00855.43 O ATOM 56876 O5* G B2699 -842.378 -99.068 135.522 1.00855.43 O ATOM 56877 C5* G B2699 -843.565 -99.095 134.739 1.00855.43 C ATOM 56878 C4* G B2699 -844.778 -98.888 135.614 1.00855.43 C ATOM 56879 O4* G B2699 -844.466 -97.937 136.656 1.00855.43 O ATOM 56880 C3* G B2699 -845.983 -98.309 134.891 1.00855.43 C ATOM 56881 O3* G B2699 -846.751 -99.342 134.286 1.00855.43 O ATOM 56882 C2* G B2699 -846.735 -97.592 136.005 1.00855.43 C ATOM 56883 O2* G B2699 -847.572 -98.462 136.738 1.00855.43 O ATOM 56884 C1* G B2699 -845.586 -97.113 136.902 1.00855.43 C ATOM 56885 N9 G B2699 -845.154 -95.741 136.663 1.00855.43 N ATOM 56886 C8 G B2699 -843.869 -95.338 136.382 1.00855.43 C ATOM 56887 N7 G B2699 -843.754 -94.050 136.239 1.00855.43 N ATOM 56888 C5 G B2699 -845.040 -93.568 136.431 1.00855.43 C ATOM 56889 C6 G B2699 -845.533 -92.244 136.399 1.00855.43 C ATOM 56890 O6 G B2699 -844.910 -91.194 136.194 1.00855.43 O ATOM 56891 N1 G B2699 -846.899 -92.203 136.642 1.00855.43 N ATOM 56892 C2 G B2699 -847.693 -93.294 136.884 1.00855.43 C ATOM 56893 N2 G B2699 -848.995 -93.045 137.084 1.00855.43 N ATOM 56894 N3 G B2699 -847.245 -94.539 136.924 1.00855.43 N ATOM 56895 C4 G B2699 -845.920 -94.601 136.689 1.00855.43 C ATOM 56896 P U B2700 -846.702 -99.543 132.693 1.00855.43 P ATOM 56897 O1P U B2700 -845.316 -99.951 132.348 1.00855.43 O ATOM 56898 O2P U B2700 -847.299 -98.353 132.040 1.00855.43 O ATOM 56899 O5* U B2700 -847.654-100.795 132.443 1.00855.43 O ATOM 56900 C5* U B2700 -847.515-101.981 133.214 1.00855.43 C ATOM 56901 C4* U B2700 -848.814-102.299 133.922 1.00855.43 C ATOM 56902 O4* U B2700 -849.127-101.259 134.878 1.00855.43 O ATOM 56903 C3* U B2700 -850.029-102.397 133.015 1.00855.43 C ATOM 56904 O3* U B2700 -850.148-103.710 132.480 1.00855.43 O ATOM 56905 C2* U B2700 -851.183-102.044 133.948 1.00855.43 C ATOM 56906 O2* U B2700 -851.651-103.157 134.682 1.00855.43 O ATOM 56907 C1* U B2700 -850.524-101.046 134.908 1.00855.43 C ATOM 56908 N1 U B2700 -850.787 -99.635 134.581 1.00855.43 N ATOM 56909 C2 U B2700 -852.011 -99.114 134.951 1.00855.43 C ATOM 56910 O2 U B2700 -852.866 -99.766 135.523 1.00855.43 O ATOM 56911 N3 U B2700 -852.197 -97.792 134.626 1.00855.43 N ATOM 56912 C4 U B2700 -851.302 -96.961 133.984 1.00855.43 C ATOM 56913 O4 U B2700 -851.620 -95.793 133.757 1.00855.43 O ATOM 56914 C5 U B2700 -850.061 -97.575 133.636 1.00855.43 C ATOM 56915 C6 U B2700 -849.849 -98.862 133.940 1.00855.43 C ATOM 56916 P A B2701 -850.591-103.908 130.952 1.00855.43 P ATOM 56917 O1P A B2701 -850.724-105.368 130.710 1.00855.43 O ATOM 56918 O2P A B2701 -849.684-103.102 130.093 1.00855.43 O ATOM 56919 O5* A B2701 -852.040-103.255 130.897 1.00855.43 O ATOM 56920 C5* A B2701 -853.200-104.015 131.226 1.00855.43 C ATOM 56921 C4* A B2701 -854.434-103.323 130.709 1.00855.43 C ATOM 56922 O4* A B2701 -854.766-102.190 131.548 1.00855.43 O ATOM 56923 C3* A B2701 -854.396-102.752 129.293 1.00855.43 C ATOM 56924 O3* A B2701 -854.599-103.751 128.302 1.00855.43 O ATOM 56925 C2* A B2701 -855.505-101.699 129.323 1.00855.43 C ATOM 56926 O2* A B2701 -856.782-102.251 129.065 1.00855.43 O ATOM 56927 C1* A B2701 -855.451-101.216 130.779 1.00855.43 C ATOM 56928 N9 A B2701 -854.801 -99.923 131.006 1.00855.43 N ATOM 56929 C8 A B2701 -853.632 -99.709 131.690 1.00855.43 C ATOM 56930 N7 A B2701 -853.291 -98.446 131.775 1.00855.43 N ATOM 56931 C5 A B2701 -854.299 -97.783 131.094 1.00855.43 C ATOM 56932 C6 A B2701 -854.520 -96.421 130.830 1.00855.43 C ATOM 56933 N6 A B2701 -853.710 -95.445 131.243 1.00855.43 N ATOM 56934 N1 A B2701 -855.621 -96.088 130.119 1.00855.43 N ATOM 56935 C2 A B2701 -856.437 -97.069 129.714 1.00855.43 C ATOM 56936 N3 A B2701 -856.339 -98.382 129.900 1.00855.43 N ATOM 56937 C4 A B2701 -855.235 -98.678 130.604 1.00855.43 C ATOM 56938 P G B2702 -853.670-103.778 126.993 1.00855.43 P ATOM 56939 O1P G B2702 -854.224-104.797 126.065 1.00855.43 O ATOM 56940 O2P G B2702 -852.254-103.868 127.423 1.00855.43 O ATOM 56941 O5* G B2702 -853.903-102.343 126.349 1.00855.43 O ATOM 56942 C5* G B2702 -855.193-101.948 125.892 1.00855.43 C ATOM 56943 C4* G B2702 -855.156-100.502 125.470 1.00855.43 C ATOM 56944 O4* G B2702 -854.587 -99.688 126.525 1.00855.43 O ATOM 56945 C3* G B2702 -854.354-100.134 124.226 1.00855.43 C ATOM 56946 O3* G B2702 -855.079-100.407 123.033 1.00855.43 O ATOM 56947 C2* G B2702 -854.063 -98.655 124.439 1.00855.43 C ATOM 56948 O2* G B2702 -855.125 -97.833 124.006 1.00855.43 O ATOM 56949 C1* G B2702 -853.907 -98.579 125.962 1.00855.43 C ATOM 56950 N9 G B2702 -852.520 -98.634 126.411 1.00855.43 N ATOM 56951 C8 G B2702 -851.960 -99.582 127.231 1.00855.43 C ATOM 56952 N7 G B2702 -850.694 -99.373 127.468 1.00855.43 N ATOM 56953 C5 G B2702 -850.398 -98.214 126.760 1.00855.43 C ATOM 56954 C6 G B2702 -849.175 -97.505 126.631 1.00855.43 C ATOM 56955 O6 G B2702 -848.075 -97.768 127.135 1.00855.43 O ATOM 56956 N1 G B2702 -849.316 -96.386 125.819 1.00855.43 N ATOM 56957 C2 G B2702 -850.486 -95.998 125.208 1.00855.43 C ATOM 56958 N2 G B2702 -850.423 -94.883 124.463 1.00855.43 N ATOM 56959 N3 G B2702 -851.632 -96.651 125.316 1.00855.43 N ATOM 56960 C4 G B2702 -851.514 -97.742 126.102 1.00855.43 C ATOM 56961 P C B2703 -854.281-100.725 121.680 1.00855.43 P ATOM 56962 O1P C B2703 -855.267-100.747 120.573 1.00855.43 O ATOM 56963 O2P C B2703 -853.412-101.906 121.914 1.00855.43 O ATOM 56964 O5* C B2703 -853.355 -99.446 121.495 1.00855.43 O ATOM 56965 C5* C B2703 -853.899 -98.217 121.031 1.00855.43 C ATOM 56966 C4* C B2703 -852.791 -97.277 120.630 1.00855.43 C ATOM 56967 O4* C B2703 -851.969 -96.956 121.784 1.00855.43 O ATOM 56968 C3* C B2703 -851.795 -97.764 119.604 1.00855.43 C ATOM 56969 O3* C B2703 -852.320 -97.657 118.289 1.00855.43 O ATOM 56970 C2* C B2703 -850.597 -96.853 119.844 1.00855.43 C ATOM 56971 O2* C B2703 -850.744 -95.597 119.213 1.00855.43 O ATOM 56972 C1* C B2703 -850.643 -96.683 121.363 1.00855.43 C ATOM 56973 N1 C B2703 -849.743 -97.640 122.023 1.00855.43 N ATOM 56974 C2 C B2703 -848.359 -97.464 121.904 1.00855.43 C ATOM 56975 O2 C B2703 -847.929 -96.488 121.277 1.00855.43 O ATOM 56976 N3 C B2703 -847.526 -98.364 122.478 1.00855.43 N ATOM 56977 C4 C B2703 -848.030 -99.399 123.155 1.00855.43 C ATOM 56978 N4 C B2703 -847.171-100.264 123.701 1.00855.43 N ATOM 56979 C5 C B2703 -849.434 -99.594 123.303 1.00855.43 C ATOM 56980 C6 C B2703 -850.244 -98.697 122.728 1.00855.43 C ATOM 56981 P U B2704 -851.778 -98.645 117.144 1.00855.43 P ATOM 56982 O1P U B2704 -852.583 -98.408 115.921 1.00855.43 O ATOM 56983 O2P U B2704 -851.697-100.014 117.717 1.00855.43 O ATOM 56984 O5* U B2704 -850.294 -98.127 116.882 1.00855.43 O ATOM 56985 C5* U B2704 -850.059 -96.784 116.470 1.00855.43 C ATOM 56986 C4* U B2704 -848.598 -96.422 116.619 1.00855.43 C ATOM 56987 O4* U B2704 -848.162 -96.582 117.993 1.00855.43 O ATOM 56988 C3* U B2704 -847.645 -97.274 115.775 1.00855.43 C ATOM 56989 O3* U B2704 -847.508 -96.810 114.437 1.00855.43 O ATOM 56990 C2* U B2704 -846.341 -97.176 116.566 1.00855.43 C ATOM 56991 O2* U B2704 -845.621 -95.999 116.257 1.00855.43 O ATOM 56992 C1* U B2704 -846.838 -97.086 118.014 1.00855.43 C ATOM 56993 N1 U B2704 -846.829 -98.349 118.766 1.00855.43 N ATOM 56994 C2 U B2704 -845.884 -98.519 119.779 1.00855.43 C ATOM 56995 O2 U B2704 -845.035 -97.694 120.052 1.00855.43 O ATOM 56996 N3 U B2704 -845.970 -99.710 120.458 1.00855.43 N ATOM 56997 C4 U B2704 -846.867-100.727 120.241 1.00855.43 C ATOM 56998 O4 U B2704 -846.825-101.726 120.956 1.00855.43 O ATOM 56999 C5 U B2704 -847.791-100.489 119.175 1.00855.43 C ATOM 57000 C6 U B2704 -847.745 -99.340 118.491 1.00855.43 C ATOM 57001 P A B2705 -846.613 -97.120 113.393 1.00855.77 P ATOM 57002 O1P A B2705 -847.555 -96.772 112.299 1.00855.77 O ATOM 57003 O2P A B2705 -846.613 -98.497 113.952 1.00855.77 O ATOM 57004 O5* A B2705 -845.142 -96.769 112.892 1.00855.77 O ATOM 57005 C5* A B2705 -844.120 -97.759 112.849 1.00855.77 C ATOM 57006 C4* A B2705 -842.935 -97.307 113.661 1.00855.77 C ATOM 57007 O4* A B2705 -843.345 -97.143 115.041 1.00855.77 O ATOM 57008 C3* A B2705 -841.755 -98.262 113.720 1.00855.77 C ATOM 57009 O3* A B2705 -840.901 -98.068 112.593 1.00855.77 O ATOM 57010 C2* A B2705 -841.078 -97.870 115.027 1.00855.77 C ATOM 57011 O2* A B2705 -840.247 -96.749 114.832 1.00855.77 O ATOM 57012 C1* A B2705 -842.273 -97.468 115.901 1.00855.77 C ATOM 57013 N9 A B2705 -842.758 -98.512 116.798 1.00855.77 N ATOM 57014 C8 A B2705 -843.922 -99.222 116.636 1.00855.77 C ATOM 57015 N7 A B2705 -844.155-100.084 117.592 1.00855.77 N ATOM 57016 C5 A B2705 -843.067 -99.943 118.442 1.00855.77 C ATOM 57017 C6 A B2705 -842.726-100.577 119.647 1.00855.77 C ATOM 57018 N6 A B2705 -843.478-101.519 120.218 1.00855.77 N ATOM 57019 N1 A B2705 -841.573-100.213 120.247 1.00855.77 N ATOM 57020 C2 A B2705 -840.821 -99.264 119.662 1.00855.77 C ATOM 57021 N3 A B2705 -841.039 -98.593 118.532 1.00855.77 N ATOM 57022 C4 A B2705 -842.194 -98.981 117.963 1.00855.77 C ATOM 57023 P U B2706 -839.843 -99.208 112.172 1.00855.77 P ATOM 57024 O1P U B2706 -839.185 -98.743 110.927 1.00855.77 O ATOM 57025 O2P U B2706 -840.531-100.523 112.190 1.00855.77 O ATOM 57026 O5* U B2706 -838.745 -99.193 113.331 1.00855.77 O ATOM 57027 C5* U B2706 -837.363 -99.384 113.039 1.00855.77 C ATOM 57028 C4* U B2706 -836.604 -99.744 114.299 1.00855.77 C ATOM 57029 O4* U B2706 -836.518 -98.586 115.159 1.00855.77 O ATOM 57030 C3* U B2706 -837.188-100.845 115.185 1.00855.77 C ATOM 57031 O3* U B2706 -836.733-102.131 114.777 1.00855.77 O ATOM 57032 C2* U B2706 -836.588-100.531 116.557 1.00855.77 C ATOM 57033 O2* U B2706 -835.339-101.153 116.756 1.00855.77 O ATOM 57034 C1* U B2706 -836.382 -99.011 116.497 1.00855.77 C ATOM 57035 N1 U B2706 -837.217 -98.173 117.368 1.00855.77 N ATOM 57036 C2 U B2706 -837.098 -98.339 118.742 1.00855.77 C ATOM 57037 O2 U B2706 -836.353 -99.154 119.250 1.00855.77 O ATOM 57038 N3 U B2706 -837.884 -97.501 119.495 1.00855.77 N ATOM 57039 C4 U B2706 -838.756 -96.540 119.031 1.00855.77 C ATOM 57040 O4 U B2706 -839.371 -95.838 119.837 1.00855.77 O ATOM 57041 C5 U B2706 -838.827 -96.436 117.607 1.00855.77 C ATOM 57042 C6 U B2706 -838.076 -97.238 116.847 1.00855.77 C ATOM 57043 P G B2707 -837.777-103.337 114.595 1.00855.77 P ATOM 57044 O1P G B2707 -836.991-104.552 114.257 1.00855.77 O ATOM 57045 O2P G B2707 -838.867-102.894 113.690 1.00855.77 O ATOM 57046 O5* G B2707 -838.387-103.541 116.052 1.00855.77 O ATOM 57047 C5* G B2707 -837.546-103.803 117.172 1.00855.77 C ATOM 57048 C4* G B2707 -838.381-104.279 118.335 1.00855.77 C ATOM 57049 O4* G B2707 -839.346-103.259 118.694 1.00855.77 O ATOM 57050 C3* G B2707 -839.198-105.531 118.029 1.00855.77 C ATOM 57051 O3* G B2707 -838.441-106.696 118.327 1.00855.77 O ATOM 57052 C2* G B2707 -840.424-105.377 118.921 1.00855.77 C ATOM 57053 O2* G B2707 -840.202-105.843 120.235 1.00855.77 O ATOM 57054 C1* G B2707 -840.604-103.857 118.938 1.00855.77 C ATOM 57055 N9 G B2707 -841.548-103.352 117.941 1.00855.77 N ATOM 57056 C8 G B2707 -841.279-102.456 116.935 1.00855.77 C ATOM 57057 N7 G B2707 -842.329-102.173 116.211 1.00855.77 N ATOM 57058 C5 G B2707 -843.347-102.931 116.767 1.00855.77 C ATOM 57059 C6 G B2707 -844.717-103.035 116.409 1.00855.77 C ATOM 57060 O6 G B2707 -845.327-102.453 115.501 1.00855.77 O ATOM 57061 N1 G B2707 -845.394-103.927 117.233 1.00855.77 N ATOM 57062 C2 G B2707 -844.832-104.627 118.271 1.00855.77 C ATOM 57063 N2 G B2707 -845.655-105.449 118.943 1.00855.77 N ATOM 57064 N3 G B2707 -843.561-104.532 118.621 1.00855.77 N ATOM 57065 C4 G B2707 -842.883-103.673 117.834 1.00855.77 C ATOM 57066 P U B2708 -837.676-107.465 117.143 1.00855.77 P ATOM 57067 O1P U B2708 -836.606-108.287 117.766 1.00855.77 O ATOM 57068 O2P U B2708 -837.326-106.480 116.091 1.00855.77 O ATOM 57069 O5* U B2708 -838.781-108.453 116.562 1.00855.77 O ATOM 57070 C5* U B2708 -838.964-109.752 117.115 1.00855.77 C ATOM 57071 C4* U B2708 -840.231-110.373 116.577 1.00855.77 C ATOM 57072 O4* U B2708 -841.347-109.466 116.775 1.00855.77 O ATOM 57073 C3* U B2708 -840.212-110.672 115.090 1.00855.77 C ATOM 57074 O3* U B2708 -839.626-111.942 114.832 1.00855.77 O ATOM 57075 C2* U B2708 -841.688-110.629 114.718 1.00855.77 C ATOM 57076 O2* U B2708 -842.358-111.844 114.983 1.00855.77 O ATOM 57077 C1* U B2708 -842.212-109.532 115.650 1.00855.77 C ATOM 57078 N1 U B2708 -842.221-108.215 114.996 1.00855.77 N ATOM 57079 C2 U B2708 -843.410-107.785 114.444 1.00855.77 C ATOM 57080 O2 U B2708 -844.439-108.439 114.497 1.00855.77 O ATOM 57081 N3 U B2708 -843.351-106.562 113.827 1.00855.77 N ATOM 57082 C4 U B2708 -842.249-105.744 113.709 1.00855.77 C ATOM 57083 O4 U B2708 -842.354-104.667 113.115 1.00855.77 O ATOM 57084 C5 U B2708 -841.058-106.254 114.314 1.00855.77 C ATOM 57085 C6 U B2708 -841.084-107.445 114.925 1.00855.77 C ATOM 57086 P C B2709 -839.203-112.323 113.329 1.00855.77 P ATOM 57087 O1P C B2709 -838.420-113.582 113.391 1.00855.77 O ATOM 57088 O2P C B2709 -838.607-111.119 112.698 1.00855.77 O ATOM 57089 O5* C B2709 -840.593-112.627 112.612 1.00855.77 O ATOM 57090 C5* C B2709 -841.307-113.827 112.895 1.00855.77 C ATOM 57091 C4* C B2709 -842.674-113.795 112.251 1.00855.77 C ATOM 57092 O4* C B2709 -843.438-112.674 112.765 1.00855.77 O ATOM 57093 C3* C B2709 -842.669-113.609 110.742 1.00855.77 C ATOM 57094 O3* C B2709 -842.526-114.838 110.042 1.00855.77 O ATOM 57095 C2* C B2709 -844.030-112.974 110.478 1.00855.77 C ATOM 57096 O2* C B2709 -845.067-113.932 110.398 1.00855.77 O ATOM 57097 C1* C B2709 -844.225-112.116 111.728 1.00855.77 C ATOM 57098 N1 C B2709 -843.805-110.721 111.523 1.00855.77 N ATOM 57099 C2 C B2709 -844.785-109.727 111.385 1.00855.77 C ATOM 57100 O2 C B2709 -845.982-110.048 111.445 1.00855.77 O ATOM 57101 N3 C B2709 -844.403-108.446 111.185 1.00855.77 N ATOM 57102 C4 C B2709 -843.105-108.138 111.121 1.00855.77 C ATOM 57103 N4 C B2709 -842.770-106.864 110.921 1.00855.77 N ATOM 57104 C5 C B2709 -842.090-109.128 111.264 1.00855.77 C ATOM 57105 C6 C B2709 -842.479-110.393 111.462 1.00855.77 C ATOM 57106 P C B2710 -841.777-114.858 108.618 1.00855.77 P ATOM 57107 O1P C B2710 -841.423-116.270 108.326 1.00855.77 O ATOM 57108 O2P C B2710 -840.715-113.823 108.633 1.00855.77 O ATOM 57109 O5* C B2710 -842.901-114.408 107.579 1.00855.77 O ATOM 57110 C5* C B2710 -843.974-115.281 107.238 1.00855.77 C ATOM 57111 C4* C B2710 -845.168-114.488 106.752 1.00855.77 C ATOM 57112 O4* C B2710 -845.479-113.453 107.722 1.00855.77 O ATOM 57113 C3* C B2710 -845.030-113.712 105.451 1.00855.77 C ATOM 57114 O3* C B2710 -845.228-114.533 104.304 1.00855.77 O ATOM 57115 C2* C B2710 -846.122-112.658 105.572 1.00855.77 C ATOM 57116 O2* C B2710 -847.393-113.152 105.207 1.00855.77 O ATOM 57117 C1* C B2710 -846.104-112.364 107.074 1.00855.77 C ATOM 57118 N1 C B2710 -845.344-111.143 107.386 1.00855.77 N ATOM 57119 C2 C B2710 -846.039-109.945 107.579 1.00855.77 C ATOM 57120 O2 C B2710 -847.276-109.947 107.494 1.00855.77 O ATOM 57121 N3 C B2710 -845.349-108.814 107.851 1.00855.77 N ATOM 57122 C4 C B2710 -844.017-108.853 107.937 1.00855.77 C ATOM 57123 N4 C B2710 -843.379-107.711 108.200 1.00855.77 N ATOM 57124 C5 C B2710 -843.285-110.061 107.753 1.00855.77 C ATOM 57125 C6 C B2710 -843.981-111.172 107.486 1.00855.77 C ATOM 57126 P G B2711 -844.538-114.134 102.908 1.00855.77 P ATOM 57127 O1P G B2711 -845.072-115.040 101.862 1.00855.77 O ATOM 57128 O2P G B2711 -843.067-114.052 103.128 1.00855.77 O ATOM 57129 O5* G B2711 -845.072-112.660 102.611 1.00855.77 O ATOM 57130 C5* G B2711 -846.430-112.432 102.236 1.00855.77 C ATOM 57131 C4* G B2711 -846.538-111.158 101.425 1.00855.77 C ATOM 57132 O4* G B2711 -846.260-110.022 102.280 1.00855.77 O ATOM 57133 C3* G B2711 -845.570-111.017 100.249 1.00855.77 C ATOM 57134 O3* G B2711 -846.092-111.603 99.059 1.00855.77 O ATOM 57135 C2* G B2711 -845.456-109.501 100.091 1.00855.77 C ATOM 57136 O2* G B2711 -846.487-108.958 99.288 1.00855.77 O ATOM 57137 C1* G B2711 -845.622-109.008 101.530 1.00855.77 C ATOM 57138 N9 G B2711 -844.378-108.649 102.201 1.00855.77 N ATOM 57139 C8 G B2711 -843.510-109.494 102.850 1.00855.77 C ATOM 57140 N7 G B2711 -842.490-108.875 103.377 1.00855.77 N ATOM 57141 C5 G B2711 -842.692-107.540 103.054 1.00855.77 C ATOM 57142 C6 G B2711 -841.918-106.393 103.356 1.00855.77 C ATOM 57143 O6 G B2711 -840.861-106.320 103.995 1.00855.77 O ATOM 57144 N1 G B2711 -842.489-105.236 102.834 1.00855.77 N ATOM 57145 C2 G B2711 -843.654-105.187 102.109 1.00855.77 C ATOM 57146 N2 G B2711 -844.037-103.974 101.688 1.00855.77 N ATOM 57147 N3 G B2711 -844.386-106.251 101.823 1.00855.77 N ATOM 57148 C4 G B2711 -843.852-107.385 102.322 1.00855.77 C ATOM 57149 P G B2712 -845.873-113.165 98.760 1.00855.77 P ATOM 57150 O1P G B2712 -846.799-113.910 99.653 1.00855.77 O ATOM 57151 O2P G B2712 -844.418-113.470 98.796 1.00855.77 O ATOM 57152 O5* G B2712 -846.395-113.336 97.266 1.00855.77 O ATOM 57153 C5* G B2712 -845.531-113.127 96.156 1.00855.77 C ATOM 57154 C4* G B2712 -845.855-111.815 95.478 1.00855.77 C ATOM 57155 O4* G B2712 -845.718-110.736 96.434 1.00855.77 O ATOM 57156 C3* G B2712 -844.970-111.433 94.288 1.00855.77 C ATOM 57157 O3* G B2712 -845.434-111.987 93.056 1.00855.77 O ATOM 57158 C2* G B2712 -845.071-109.907 94.283 1.00855.77 C ATOM 57159 O2* G B2712 -846.202-109.443 93.577 1.00855.77 O ATOM 57160 C1* G B2712 -845.249-109.585 95.771 1.00855.77 C ATOM 57161 N9 G B2712 -844.085-109.063 96.480 1.00855.77 N ATOM 57162 C8 G B2712 -842.799-109.545 96.442 1.00855.77 C ATOM 57163 N7 G B2712 -841.983-108.887 97.225 1.00855.77 N ATOM 57164 C5 G B2712 -842.779-107.909 97.807 1.00855.77 C ATOM 57165 C6 G B2712 -842.455-106.900 98.750 1.00855.77 C ATOM 57166 O6 G B2712 -841.363-106.664 99.285 1.00855.77 O ATOM 57167 N1 G B2712 -843.564-106.121 99.063 1.00855.77 N ATOM 57168 C2 G B2712 -844.822-106.288 98.544 1.00855.77 C ATOM 57169 N2 G B2712 -845.758-105.429 98.968 1.00855.77 N ATOM 57170 N3 G B2712 -845.138-107.228 97.669 1.00855.77 N ATOM 57171 C4 G B2712 -844.077-107.997 97.347 1.00855.77 C ATOM 57172 P A B2713 -844.390-112.360 91.891 1.00855.77 P ATOM 57173 O1P A B2713 -843.212-111.470 92.038 1.00855.77 O ATOM 57174 O2P A B2713 -845.133-112.384 90.604 1.00855.77 O ATOM 57175 O5* A B2713 -843.935-113.846 92.231 1.00855.77 O ATOM 57176 C5* A B2713 -842.790-114.411 91.608 1.00855.77 C ATOM 57177 C4* A B2713 -842.668-115.879 91.942 1.00855.77 C ATOM 57178 O4* A B2713 -842.498-116.047 93.371 1.00855.77 O ATOM 57179 C3* A B2713 -843.875-116.720 91.598 1.00855.77 C ATOM 57180 O3* A B2713 -843.798-117.132 90.238 1.00855.77 O ATOM 57181 C2* A B2713 -843.755-117.901 92.556 1.00855.77 C ATOM 57182 O2* A B2713 -842.886-118.905 92.072 1.00855.77 O ATOM 57183 C1* A B2713 -843.126-117.247 93.788 1.00855.77 C ATOM 57184 N9 A B2713 -844.111-116.941 94.823 1.00855.77 N ATOM 57185 C8 A B2713 -845.416-116.543 94.685 1.00855.77 C ATOM 57186 N7 A B2713 -846.038-116.363 95.827 1.00855.77 N ATOM 57187 C5 A B2713 -845.073-116.654 96.781 1.00855.77 C ATOM 57188 C6 A B2713 -845.097-116.656 98.187 1.00855.77 C ATOM 57189 N6 A B2713 -846.172-116.340 98.910 1.00855.77 N ATOM 57190 N1 A B2713 -843.962-117.000 98.833 1.00855.77 N ATOM 57191 C2 A B2713 -842.882-117.317 98.110 1.00855.77 C ATOM 57192 N3 A B2713 -842.736-117.355 96.788 1.00855.77 N ATOM 57193 C4 A B2713 -843.882-117.009 96.177 1.00855.77 C ATOM 57194 P A B2714 -845.424-118.432 89.595 1.00853.70 P ATOM 57195 O1P A B2714 -845.145-117.749 88.307 1.00853.70 O ATOM 57196 O2P A B2714 -846.565-117.978 90.434 1.00853.70 O ATOM 57197 O5* A B2714 -845.616-119.985 89.301 1.00853.70 O ATOM 57198 C5* A B2714 -844.654-120.941 89.735 1.00853.70 C ATOM 57199 C4* A B2714 -845.350-122.197 90.201 1.00853.70 C ATOM 57200 O4* A B2714 -846.183-121.894 91.349 1.00853.70 O ATOM 57201 C3* A B2714 -846.298-122.766 89.159 1.00853.70 C ATOM 57202 O3* A B2714 -845.606-123.627 88.264 1.00853.70 O ATOM 57203 C2* A B2714 -847.350-123.476 90.001 1.00853.70 C ATOM 57204 O2* A B2714 -846.951-124.777 90.387 1.00853.70 O ATOM 57205 C1* A B2714 -847.422-122.571 91.234 1.00853.70 C ATOM 57206 N9 A B2714 -848.476-121.560 91.143 1.00853.70 N ATOM 57207 C8 A B2714 -848.346-120.199 91.308 1.00853.70 C ATOM 57208 N7 A B2714 -849.472-119.538 91.170 1.00853.70 N ATOM 57209 C5 A B2714 -850.405-120.530 90.896 1.00853.70 C ATOM 57210 C6 A B2714 -851.788-120.481 90.651 1.00853.70 C ATOM 57211 N6 A B2714 -852.500-119.351 90.647 1.00853.70 N ATOM 57212 N1 A B2714 -852.425-121.647 90.409 1.00853.70 N ATOM 57213 C2 A B2714 -851.710-122.781 90.418 1.00853.70 C ATOM 57214 N3 A B2714 -850.409-122.955 90.637 1.00853.70 N ATOM 57215 C4 A B2714 -849.805-121.777 90.874 1.00853.70 C ATOM 57216 P C B2715 -845.655-123.331 86.684 1.00853.70 P ATOM 57217 O1P C B2715 -845.121-124.524 85.984 1.00853.70 O ATOM 57218 O2P C B2715 -845.044-122.001 86.442 1.00853.70 O ATOM 57219 O5* C B2715 -847.214-123.226 86.379 1.00853.70 O ATOM 57220 C5* C B2715 -848.060-124.364 86.512 1.00853.70 C ATOM 57221 C4* C B2715 -849.504-123.952 86.403 1.00853.70 C ATOM 57222 O4* C B2715 -849.855-123.104 87.527 1.00853.70 O ATOM 57223 C3* C B2715 -849.861-123.136 85.176 1.00853.70 C ATOM 57224 O3* C B2715 -850.102-123.980 84.062 1.00853.70 O ATOM 57225 C2* C B2715 -851.095-122.363 85.630 1.00853.70 C ATOM 57226 O2* C B2715 -852.283-123.120 85.516 1.00853.70 O ATOM 57227 C1* C B2715 -850.784-122.119 87.111 1.00853.70 C ATOM 57228 N1 C B2715 -850.188-120.798 87.364 1.00853.70 N ATOM 57229 C2 C B2715 -851.021-119.672 87.376 1.00853.70 C ATOM 57230 O2 C B2715 -852.233-119.820 87.175 1.00853.70 O ATOM 57231 N3 C B2715 -850.478-118.454 87.604 1.00853.70 N ATOM 57232 C4 C B2715 -849.164-118.337 87.816 1.00853.70 C ATOM 57233 N4 C B2715 -848.674-117.115 88.037 1.00853.70 N ATOM 57234 C5 C B2715 -848.299-119.466 87.815 1.00853.70 C ATOM 57235 C6 C B2715 -848.846-120.666 87.588 1.00853.70 C ATOM 57236 P G B2716 -849.649-123.507 82.597 1.00853.70 P ATOM 57237 O1P G B2716 -848.936-124.648 81.964 1.00853.70 O ATOM 57238 O2P G B2716 -848.964-122.194 82.724 1.00853.70 O ATOM 57239 O5* G B2716 -851.023-123.289 81.830 1.00853.70 O ATOM 57240 C5* G B2716 -851.918-124.376 81.640 1.00853.70 C ATOM 57241 C4* G B2716 -853.352-123.900 81.657 1.00853.70 C ATOM 57242 O4* G B2716 -853.690-123.354 82.959 1.00853.70 O ATOM 57243 C3* G B2716 -853.667-122.801 80.653 1.00853.70 C ATOM 57244 O3* G B2716 -854.005-123.337 79.381 1.00853.70 O ATOM 57245 C2* G B2716 -854.855-122.095 81.301 1.00853.70 C ATOM 57246 O2* G B2716 -856.084-122.735 81.026 1.00853.70 O ATOM 57247 C1* G B2716 -854.536-122.228 82.789 1.00853.70 C ATOM 57248 N9 G B2716 -853.874-121.041 83.327 1.00853.70 N ATOM 57249 C8 G B2716 -852.581-120.624 83.114 1.00853.70 C ATOM 57250 N7 G B2716 -852.298-119.506 83.730 1.00853.70 N ATOM 57251 C5 G B2716 -853.473-119.171 84.391 1.00853.70 C ATOM 57252 C6 G B2716 -853.783-118.058 85.225 1.00853.70 C ATOM 57253 O6 G B2716 -853.056-117.114 85.558 1.00853.70 O ATOM 57254 N1 G B2716 -855.095-118.112 85.685 1.00853.70 N ATOM 57255 C2 G B2716 -855.995-119.107 85.388 1.00853.70 C ATOM 57256 N2 G B2716 -857.213-118.980 85.930 1.00853.70 N ATOM 57257 N3 G B2716 -855.721-120.141 84.613 1.00853.70 N ATOM 57258 C4 G B2716 -854.453-120.111 84.152 1.00853.70 C ATOM 57259 P G B2717 -853.522-122.576 78.051 1.00853.70 P ATOM 57260 O1P G B2717 -853.518-123.565 76.940 1.00853.70 O ATOM 57261 O2P G B2717 -852.283-121.823 78.365 1.00853.70 O ATOM 57262 O5* G B2717 -854.683-121.523 77.769 1.00853.70 O ATOM 57263 C5* G B2717 -855.915-121.926 77.182 1.00853.70 C ATOM 57264 C4* G B2717 -856.717-120.709 76.787 1.00853.70 C ATOM 57265 O4* G B2717 -857.003-119.924 77.973 1.00853.70 O ATOM 57266 C3* G B2717 -855.938-119.787 75.866 1.00853.70 C ATOM 57267 O3* G B2717 -856.170-120.151 74.513 1.00853.70 O ATOM 57268 C2* G B2717 -856.475-118.408 76.218 1.00853.70 C ATOM 57269 O2* G B2717 -857.676-118.097 75.535 1.00853.70 O ATOM 57270 C1* G B2717 -856.750-118.555 77.718 1.00853.70 C ATOM 57271 N9 G B2717 -855.607-118.156 78.533 1.00853.70 N ATOM 57272 C8 G B2717 -854.900-118.956 79.399 1.00853.70 C ATOM 57273 N7 G B2717 -853.912-118.330 79.981 1.00853.70 N ATOM 57274 C5 G B2717 -853.972-117.041 79.471 1.00853.70 C ATOM 57275 C6 G B2717 -853.153-115.912 79.728 1.00853.70 C ATOM 57276 O6 G B2717 -852.177-115.822 80.485 1.00853.70 O ATOM 57277 N1 G B2717 -853.563-114.806 78.993 1.00853.70 N ATOM 57278 C2 G B2717 -854.627-114.786 78.121 1.00853.70 C ATOM 57279 N2 G B2717 -854.865-113.620 77.507 1.00853.70 N ATOM 57280 N3 G B2717 -855.398-115.830 77.872 1.00853.70 N ATOM 57281 C4 G B2717 -855.016-116.917 78.575 1.00853.70 C ATOM 57282 P A B2718 -854.921-120.453 73.550 1.00853.70 P ATOM 57283 O1P A B2718 -855.441-121.123 72.331 1.00853.70 O ATOM 57284 O2P A B2718 -853.863-121.118 74.357 1.00853.70 O ATOM 57285 O5* A B2718 -854.398-119.006 73.145 1.00853.70 O ATOM 57286 C5* A B2718 -855.292-118.022 72.635 1.00853.70 C ATOM 57287 C4* A B2718 -854.830-116.643 73.035 1.00853.70 C ATOM 57288 O4* A B2718 -854.847-116.526 74.484 1.00853.70 O ATOM 57289 C3* A B2718 -853.405-116.313 72.672 1.00853.70 C ATOM 57290 O3* A B2718 -853.319-115.872 71.327 1.00853.70 O ATOM 57291 C2* A B2718 -853.038-115.227 73.667 1.00853.70 C ATOM 57292 O2* A B2718 -853.492-113.945 73.279 1.00853.70 O ATOM 57293 C1* A B2718 -853.774-115.705 74.915 1.00853.70 C ATOM 57294 N9 A B2718 -852.876-116.522 75.727 1.00853.70 N ATOM 57295 C8 A B2718 -852.828-117.892 75.805 1.00853.70 C ATOM 57296 N7 A B2718 -851.888-118.346 76.594 1.00853.70 N ATOM 57297 C5 A B2718 -851.276-117.195 77.075 1.00853.70 C ATOM 57298 C6 A B2718 -850.200-116.996 77.955 1.00853.70 C ATOM 57299 N6 A B2718 -849.517-117.989 78.532 1.00853.70 N ATOM 57300 N1 A B2718 -849.842-115.723 78.229 1.00853.70 N ATOM 57301 C2 A B2718 -850.525-114.726 77.650 1.00853.70 C ATOM 57302 N3 A B2718 -851.551-114.788 76.806 1.00853.70 N ATOM 57303 C4 A B2718 -851.882-116.066 76.556 1.00853.70 C ATOM 57304 P U B2719 -851.936-116.079 70.541 1.00853.70 P ATOM 57305 O1P U B2719 -852.012-115.299 69.278 1.00853.70 O ATOM 57306 O2P U B2719 -851.677-117.542 70.485 1.00853.70 O ATOM 57307 O5* U B2719 -850.881-115.386 71.521 1.00853.70 O ATOM 57308 C5* U B2719 -849.856-114.518 71.044 1.00853.70 C ATOM 57309 C4* U B2719 -850.016-113.121 71.631 1.00853.70 C ATOM 57310 O4* U B2719 -850.020-113.126 73.097 1.00853.70 O ATOM 57311 C3* U B2719 -848.914-112.162 71.283 1.00853.70 C ATOM 57312 O3* U B2719 -849.142-111.670 69.965 1.00853.70 O ATOM 57313 C2* U B2719 -849.014-111.095 72.378 1.00853.70 C ATOM 57314 O2* U B2719 -850.037-110.166 72.066 1.00853.70 O ATOM 57315 C1* U B2719 -849.438-111.910 73.612 1.00853.70 C ATOM 57316 N1 U B2719 -848.353-112.299 74.552 1.00853.70 N ATOM 57317 C2 U B2719 -848.114-111.676 75.878 1.00853.70 C ATOM 57318 O2 U B2719 -848.731-110.731 76.411 1.00853.70 O ATOM 57319 N3 U B2719 -847.069-112.234 76.585 1.00853.70 N ATOM 57320 C4 U B2719 -846.263-113.289 76.158 1.00853.70 C ATOM 57321 O4 U B2719 -845.397-113.725 76.912 1.00853.70 O ATOM 57322 C5 U B2719 -846.558-113.817 74.854 1.00853.70 C ATOM 57323 C6 U B2719 -847.549-113.324 74.127 1.00853.70 C ATOM 57324 P A B2720 -848.042-111.917 68.818 1.00853.70 P ATOM 57325 O1P A B2720 -848.607-111.468 67.518 1.00853.70 O ATOM 57326 O2P A B2720 -847.514-113.299 68.947 1.00853.70 O ATOM 57327 O5* A B2720 -846.894-110.895 69.222 1.00853.70 O ATOM 57328 C5* A B2720 -847.089-109.495 69.044 1.00853.70 C ATOM 57329 C4* A B2720 -845.887-108.745 69.544 1.00853.70 C ATOM 57330 O4* A B2720 -845.806-108.827 70.988 1.00853.70 O ATOM 57331 C3* A B2720 -844.555-109.287 69.054 1.00853.70 C ATOM 57332 O3* A B2720 -844.238-108.835 67.744 1.00853.70 O ATOM 57333 C2* A B2720 -843.584-108.804 70.125 1.00853.70 C ATOM 57334 O2* A B2720 -843.178-107.470 69.922 1.00853.70 O ATOM 57335 C1* A B2720 -844.447-108.899 71.386 1.00853.70 C ATOM 57336 N9 A B2720 -844.259-110.147 72.122 1.00853.70 N ATOM 57337 C8 A B2720 -845.081-111.251 72.131 1.00853.70 C ATOM 57338 N7 A B2720 -844.651-112.221 72.899 1.00853.70 N ATOM 57339 C5 A B2720 -843.472-111.727 73.434 1.00853.70 C ATOM 57340 C6 A B2720 -842.537-112.273 74.331 1.00853.70 C ATOM 57341 N6 A B2720 -842.654-113.484 74.877 1.00853.70 N ATOM 57342 N1 A B2720 -841.464-111.519 74.654 1.00853.70 N ATOM 57343 C2 A B2720 -841.351-110.302 74.109 1.00853.70 C ATOM 57344 N3 A B2720 -842.162-109.677 73.262 1.00853.70 N ATOM 57345 C4 A B2720 -843.216-110.452 72.961 1.00853.70 C ATOM 57346 P A B2721 -843.273-109.723 66.822 1.00853.70 P ATOM 57347 O1P A B2721 -843.057-108.971 65.564 1.00853.70 O ATOM 57348 O2P A B2721 -843.800-111.112 66.770 1.00853.70 O ATOM 57349 O5* A B2721 -841.906-109.725 67.629 1.00853.70 O ATOM 57350 C5* A B2721 -841.152-108.526 67.758 1.00853.70 C ATOM 57351 C4* A B2721 -840.075-108.693 68.798 1.00853.70 C ATOM 57352 O4* A B2721 -840.643-109.065 70.076 1.00853.70 O ATOM 57353 C3* A B2721 -839.078-109.780 68.469 1.00853.70 C ATOM 57354 O3* A B2721 -838.059-109.349 67.596 1.00853.70 O ATOM 57355 C2* A B2721 -838.552-110.185 69.839 1.00853.70 C ATOM 57356 O2* A B2721 -837.532-109.329 70.306 1.00853.70 O ATOM 57357 C1* A B2721 -839.807-110.025 70.701 1.00853.70 C ATOM 57358 N9 A B2721 -840.538-111.284 70.795 1.00853.70 N ATOM 57359 C8 A B2721 -841.641-111.696 70.088 1.00853.70 C ATOM 57360 N7 A B2721 -842.040-112.907 70.395 1.00853.70 N ATOM 57361 C5 A B2721 -841.140-113.315 71.372 1.00853.70 C ATOM 57362 C6 A B2721 -841.021-114.506 72.108 1.00853.70 C ATOM 57363 N6 A B2721 -841.834-115.553 71.972 1.00853.70 N ATOM 57364 N1 A B2721 -840.015-114.587 73.008 1.00853.70 N ATOM 57365 C2 A B2721 -839.198-113.537 73.147 1.00853.70 C ATOM 57366 N3 A B2721 -839.211-112.371 72.516 1.00853.70 N ATOM 57367 C4 A B2721 -840.219-112.323 71.630 1.00853.70 C ATOM 57368 P C B2722 -837.099-110.437 66.930 1.00853.70 P ATOM 57369 O1P C B2722 -835.910-110.483 67.816 1.00853.70 O ATOM 57370 O2P C B2722 -836.923-110.092 65.498 1.00853.70 O ATOM 57371 O5* C B2722 -837.947-111.787 67.004 1.00853.70 O ATOM 57372 C5* C B2722 -837.652-112.888 66.150 1.00853.70 C ATOM 57373 C4* C B2722 -837.569-114.182 66.944 1.00853.70 C ATOM 57374 O4* C B2722 -838.529-114.151 68.033 1.00853.70 O ATOM 57375 C3* C B2722 -837.882-115.472 66.221 1.00853.70 C ATOM 57376 O3* C B2722 -836.754-115.958 65.509 1.00853.70 O ATOM 57377 C2* C B2722 -838.262-116.418 67.352 1.00853.70 C ATOM 57378 O2* C B2722 -837.138-117.019 67.967 1.00853.70 O ATOM 57379 C1* C B2722 -838.946-115.473 68.340 1.00853.70 C ATOM 57380 N1 C B2722 -840.412-115.549 68.237 1.00853.70 N ATOM 57381 C2 C B2722 -841.082-116.546 68.956 1.00853.70 C ATOM 57382 O2 C B2722 -840.426-117.304 69.686 1.00853.70 O ATOM 57383 N3 C B2722 -842.425-116.658 68.839 1.00853.70 N ATOM 57384 C4 C B2722 -843.096-115.822 68.049 1.00853.70 C ATOM 57385 N4 C B2722 -844.421-115.981 67.951 1.00853.70 N ATOM 57386 C5 C B2722 -842.442-114.784 67.317 1.00853.70 C ATOM 57387 C6 C B2722 -841.110-114.685 67.442 1.00853.70 C ATOM 57388 P C B2723 -836.962-117.037 64.337 1.00853.70 P ATOM 57389 O1P C B2723 -835.659-117.220 63.652 1.00853.70 O ATOM 57390 O2P C B2723 -838.156-116.639 63.551 1.00853.70 O ATOM 57391 O5* C B2723 -837.310-118.387 65.115 1.00853.70 O ATOM 57392 C5* C B2723 -836.297-119.113 65.806 1.00853.70 C ATOM 57393 C4* C B2723 -836.877-120.363 66.429 1.00853.70 C ATOM 57394 O4* C B2723 -837.837-120.011 67.459 1.00853.70 O ATOM 57395 C3* C B2723 -837.637-121.312 65.521 1.00853.70 C ATOM 57396 O3* C B2723 -836.761-122.165 64.797 1.00853.70 O ATOM 57397 C2* C B2723 -838.512-122.088 66.501 1.00853.70 C ATOM 57398 O2* C B2723 -837.826-123.164 67.107 1.00853.70 O ATOM 57399 C1* C B2723 -838.829-121.019 67.550 1.00853.70 C ATOM 57400 N1 C B2723 -840.143-120.395 67.336 1.00853.70 N ATOM 57401 C2 C B2723 -841.247-120.875 68.057 1.00853.70 C ATOM 57402 O2 C B2723 -841.082-121.800 68.863 1.00853.70 O ATOM 57403 N3 C B2723 -842.461-120.316 67.857 1.00853.70 N ATOM 57404 C4 C B2723 -842.602-119.320 66.982 1.00853.70 C ATOM 57405 N4 C B2723 -843.820-118.804 66.813 1.00853.70 N ATOM 57406 C5 C B2723 -841.497-118.809 66.239 1.00853.70 C ATOM 57407 C6 C B2723 -840.299-119.372 66.448 1.00853.70 C ATOM 57408 P G B2724 -837.189-122.676 63.336 1.00853.70 P ATOM 57409 O1P G B2724 -836.189-123.685 62.899 1.00853.70 O ATOM 57410 O2P G B2724 -837.446-121.487 62.487 1.00853.70 O ATOM 57411 O5* G B2724 -838.572-123.416 63.595 1.00853.70 O ATOM 57412 C5* G B2724 -839.329-123.965 62.519 1.00853.70 C ATOM 57413 C4* G B2724 -840.141-125.138 63.004 1.00853.70 C ATOM 57414 O4* G B2724 -841.033-124.721 64.070 1.00853.70 O ATOM 57415 C3* G B2724 -841.050-125.819 61.983 1.00853.70 C ATOM 57416 O3* G B2724 -840.365-126.748 61.151 1.00853.70 O ATOM 57417 C2* G B2724 -842.098-126.485 62.867 1.00853.70 C ATOM 57418 O2* G B2724 -841.665-127.728 63.383 1.00853.70 O ATOM 57419 C1* G B2724 -842.227-125.483 64.016 1.00853.70 C ATOM 57420 N9 G B2724 -843.354-124.563 63.869 1.00853.70 N ATOM 57421 C8 G B2724 -843.353-123.360 63.203 1.00853.70 C ATOM 57422 N7 G B2724 -844.509-122.755 63.239 1.00853.70 N ATOM 57423 C5 G B2724 -845.323-123.608 63.972 1.00853.70 C ATOM 57424 C6 G B2724 -846.691-123.484 64.344 1.00853.70 C ATOM 57425 O6 G B2724 -847.479-122.567 64.087 1.00853.70 O ATOM 57426 N1 G B2724 -847.118-124.578 65.086 1.00853.70 N ATOM 57427 C2 G B2724 -846.338-125.652 65.434 1.00853.70 C ATOM 57428 N2 G B2724 -846.943-126.609 66.157 1.00853.70 N ATOM 57429 N3 G B2724 -845.066-125.782 65.095 1.00853.70 N ATOM 57430 C4 G B2724 -844.625-124.729 64.370 1.00853.70 C ATOM 57431 P C B2725 -841.003-127.182 59.745 1.00853.70 P ATOM 57432 O1P C B2725 -839.900-127.679 58.884 1.00853.70 O ATOM 57433 O2P C B2725 -841.872-126.079 59.261 1.00853.70 O ATOM 57434 O5* C B2725 -841.931-128.418 60.119 1.00853.70 O ATOM 57435 C5* C B2725 -841.389-129.585 60.733 1.00853.70 C ATOM 57436 C4* C B2725 -842.501-130.448 61.271 1.00853.70 C ATOM 57437 O4* C B2725 -843.180-129.749 62.343 1.00853.70 O ATOM 57438 C3* C B2725 -843.577-130.753 60.254 1.00853.70 C ATOM 57439 O3* C B2725 -843.217-131.910 59.507 1.00853.70 O ATOM 57440 C2* C B2725 -844.820-130.959 61.108 1.00853.70 C ATOM 57441 O2* C B2725 -844.919-132.270 61.622 1.00853.70 O ATOM 57442 C1* C B2725 -844.576-129.972 62.255 1.00853.70 C ATOM 57443 N1 C B2725 -845.229-128.664 62.062 1.00853.70 N ATOM 57444 C2 C B2725 -846.376-128.351 62.807 1.00853.70 C ATOM 57445 O2 C B2725 -846.830-129.188 63.602 1.00853.70 O ATOM 57446 N3 C B2725 -846.960-127.142 62.638 1.00853.70 N ATOM 57447 C4 C B2725 -846.449-126.268 61.766 1.00853.70 C ATOM 57448 N4 C B2725 -847.055-125.087 61.638 1.00853.70 N ATOM 57449 C5 C B2725 -845.290-126.567 60.994 1.00853.70 C ATOM 57450 C6 C B2725 -844.718-127.763 61.173 1.00853.70 C ATOM 57451 P U B2726 -842.978-131.788 57.924 1.00853.70 P ATOM 57452 O1P U B2726 -842.580-133.128 57.424 1.00853.70 O ATOM 57453 O2P U B2726 -842.099-130.619 57.667 1.00853.70 O ATOM 57454 O5* U B2726 -844.429-131.458 57.361 1.00853.70 O ATOM 57455 C5* U B2726 -845.128-132.408 56.565 1.00853.70 C ATOM 57456 C4* U B2726 -845.877-131.704 55.463 1.00853.70 C ATOM 57457 O4* U B2726 -846.901-130.841 56.022 1.00853.70 O ATOM 57458 C3* U B2726 -845.044-130.779 54.595 1.00853.70 C ATOM 57459 O3* U B2726 -844.328-131.499 53.601 1.00853.70 O ATOM 57460 C2* U B2726 -846.087-129.822 54.029 1.00853.70 C ATOM 57461 O2* U B2726 -846.762-130.349 52.908 1.00853.70 O ATOM 57462 C1* U B2726 -847.061-129.697 55.206 1.00853.70 C ATOM 57463 N1 U B2726 -846.794-128.505 56.024 1.00853.70 N ATOM 57464 C2 U B2726 -847.598-127.398 55.834 1.00853.70 C ATOM 57465 O2 U B2726 -848.516-127.379 55.037 1.00853.70 O ATOM 57466 N3 U B2726 -847.277-126.311 56.611 1.00853.70 N ATOM 57467 C4 U B2726 -846.263-126.224 57.539 1.00853.70 C ATOM 57468 O4 U B2726 -846.084-125.164 58.140 1.00853.70 O ATOM 57469 C5 U B2726 -845.487-127.415 57.687 1.00853.70 C ATOM 57470 C6 U B2726 -845.773-128.489 56.948 1.00853.70 C ATOM 57471 P G B2727 -842.752-131.241 53.430 1.00853.70 P ATOM 57472 O1P G B2727 -842.283-132.027 52.261 1.00853.70 O ATOM 57473 O2P G B2727 -842.106-131.441 54.755 1.00853.70 O ATOM 57474 O5* G B2727 -842.665-129.695 53.067 1.00853.70 O ATOM 57475 C5* G B2727 -842.896-129.254 51.735 1.00853.70 C ATOM 57476 C4* G B2727 -844.067-128.312 51.692 1.00853.70 C ATOM 57477 O4* G B2727 -844.246-127.727 53.005 1.00853.70 O ATOM 57478 C3* G B2727 -843.966-127.134 50.752 1.00853.70 C ATOM 57479 O3* G B2727 -844.338-127.494 49.426 1.00853.70 O ATOM 57480 C2* G B2727 -844.900-126.111 51.389 1.00853.70 C ATOM 57481 O2* G B2727 -846.255-126.327 51.052 1.00853.70 O ATOM 57482 C1* G B2727 -844.693-126.394 52.879 1.00853.70 C ATOM 57483 N9 G B2727 -843.671-125.542 53.473 1.00853.70 N ATOM 57484 C8 G B2727 -842.334-125.519 53.150 1.00853.70 C ATOM 57485 N7 G B2727 -841.656-124.647 53.842 1.00853.70 N ATOM 57486 C5 G B2727 -842.597-124.054 54.669 1.00853.70 C ATOM 57487 C6 G B2727 -842.455-123.033 55.637 1.00853.70 C ATOM 57488 O6 G B2727 -841.429-122.424 55.969 1.00853.70 O ATOM 57489 N1 G B2727 -843.665-122.732 56.248 1.00853.70 N ATOM 57490 C2 G B2727 -844.865-123.335 55.962 1.00853.70 C ATOM 57491 N2 G B2727 -845.926-122.905 56.659 1.00853.70 N ATOM 57492 N3 G B2727 -845.016-124.292 55.059 1.00853.70 N ATOM 57493 C4 G B2727 -843.846-124.600 54.456 1.00853.70 C ATOM 57494 P A B2728 -843.920-126.552 48.191 1.00853.70 P ATOM 57495 O1P A B2728 -843.296-127.407 47.151 1.00853.70 O ATOM 57496 O2P A B2728 -843.171-125.386 48.731 1.00853.70 O ATOM 57497 O5* A B2728 -845.316-126.026 47.637 1.00853.70 O ATOM 57498 C5* A B2728 -846.025-125.015 48.341 1.00853.70 C ATOM 57499 C4* A B2728 -847.465-124.960 47.891 1.00853.70 C ATOM 57500 O4* A B2728 -848.234-124.327 48.941 1.00853.70 O ATOM 57501 C3* A B2728 -847.760-124.145 46.660 1.00853.70 C ATOM 57502 O3* A B2728 -847.541-124.918 45.486 1.00853.70 O ATOM 57503 C2* A B2728 -849.216-123.746 46.857 1.00853.70 C ATOM 57504 O2* A B2728 -850.117-124.763 46.462 1.00853.70 O ATOM 57505 C1* A B2728 -849.280-123.560 48.374 1.00853.70 C ATOM 57506 N9 A B2728 -849.052-122.178 48.790 1.00853.70 N ATOM 57507 C8 A B2728 -847.857-121.504 48.775 1.00853.70 C ATOM 57508 N7 A B2728 -847.930-120.280 49.225 1.00853.70 N ATOM 57509 C5 A B2728 -849.269-120.128 49.559 1.00853.70 C ATOM 57510 C6 A B2728 -849.993-119.053 50.093 1.00853.70 C ATOM 57511 N6 A B2728 -849.445-117.876 50.403 1.00853.70 N ATOM 57512 N1 A B2728 -851.315-119.230 50.304 1.00853.70 N ATOM 57513 C2 A B2728 -851.861-120.412 49.997 1.00853.70 C ATOM 57514 N3 A B2728 -851.286-121.500 49.486 1.00853.70 N ATOM 57515 C4 A B2728 -849.973-121.289 49.289 1.00853.70 C ATOM 57516 P A B2729 -847.094-124.189 44.124 1.00853.70 P ATOM 57517 O1P A B2729 -847.488-125.074 42.999 1.00853.70 O ATOM 57518 O2P A B2729 -845.677-123.768 44.267 1.00853.70 O ATOM 57519 O5* A B2729 -847.999-122.878 44.065 1.00853.70 O ATOM 57520 C5* A B2729 -849.293-122.912 43.473 1.00853.70 C ATOM 57521 C4* A B2729 -849.813-121.507 43.253 1.00853.70 C ATOM 57522 O4* A B2729 -849.985-120.832 44.524 1.00853.70 O ATOM 57523 C3* A B2729 -848.927-120.580 42.418 1.00853.70 C ATOM 57524 O3* A B2729 -849.161-120.744 41.022 1.00853.70 O ATOM 57525 C2* A B2729 -849.349-119.195 42.896 1.00853.70 C ATOM 57526 O2* A B2729 -850.460-118.680 42.197 1.00853.70 O ATOM 57527 C1* A B2729 -849.724-119.453 44.361 1.00853.70 C ATOM 57528 N9 A B2729 -848.700-119.047 45.320 1.00853.70 N ATOM 57529 C8 A B2729 -847.434-119.551 45.489 1.00853.70 C ATOM 57530 N7 A B2729 -846.757-118.963 46.447 1.00853.70 N ATOM 57531 C5 A B2729 -847.634-118.008 46.938 1.00853.70 C ATOM 57532 C6 A B2729 -847.521-117.053 47.965 1.00853.70 C ATOM 57533 N6 A B2729 -846.426-116.895 48.712 1.00853.70 N ATOM 57534 N1 A B2729 -848.582-116.254 48.199 1.00853.70 N ATOM 57535 C2 A B2729 -849.682-116.411 47.450 1.00853.70 C ATOM 57536 N3 A B2729 -849.912-117.270 46.463 1.00853.70 N ATOM 57537 C4 A B2729 -848.836-118.050 46.255 1.00853.70 C ATOM 57538 P A B2730 -848.128-120.127 39.960 1.00853.70 P ATOM 57539 O1P A B2730 -848.126-118.651 40.128 1.00853.70 O ATOM 57540 O2P A B2730 -848.437-120.712 38.633 1.00853.70 O ATOM 57541 O5* A B2730 -846.714-120.682 40.434 1.00853.70 O ATOM 57542 C5* A B2730 -845.708-121.002 39.479 1.00853.70 C ATOM 57543 C4* A B2730 -844.380-120.421 39.896 1.00853.70 C ATOM 57544 O4* A B2730 -844.474-118.971 39.932 1.00853.70 O ATOM 57545 C3* A B2730 -843.903-120.801 41.276 1.00853.70 C ATOM 57546 O3* A B2730 -843.213-122.043 41.230 1.00853.70 O ATOM 57547 C2* A B2730 -842.965-119.656 41.637 1.00853.70 C ATOM 57548 O2* A B2730 -841.670-119.824 41.094 1.00853.70 O ATOM 57549 C1* A B2730 -843.655-118.468 40.977 1.00853.70 C ATOM 57550 N9 A B2730 -844.500-117.767 41.942 1.00853.70 N ATOM 57551 C8 A B2730 -845.849-117.513 41.895 1.00853.70 C ATOM 57552 N7 A B2730 -846.308-116.893 42.954 1.00853.70 N ATOM 57553 C5 A B2730 -845.183-116.716 43.750 1.00853.70 C ATOM 57554 C6 A B2730 -844.996-116.129 45.014 1.00853.70 C ATOM 57555 N6 A B2730 -845.982-115.589 45.735 1.00853.70 N ATOM 57556 N1 A B2730 -843.742-116.116 45.523 1.00853.70 N ATOM 57557 C2 A B2730 -842.756-116.661 44.805 1.00853.70 C ATOM 57558 N3 A B2730 -842.806-117.250 43.611 1.00853.70 N ATOM 57559 C4 A B2730 -844.062-117.243 43.135 1.00853.70 C ATOM 57560 P G B2731 -842.530-122.613 42.571 1.00853.70 P ATOM 57561 O1P G B2731 -843.446-122.313 43.699 1.00853.70 O ATOM 57562 O2P G B2731 -841.129-122.123 42.615 1.00853.70 O ATOM 57563 O5* G B2731 -842.500-124.192 42.359 1.00853.70 O ATOM 57564 C5* G B2731 -842.950-125.078 43.378 1.00853.70 C ATOM 57565 C4* G B2731 -843.122-126.465 42.814 1.00853.70 C ATOM 57566 O4* G B2731 -844.128-126.437 41.773 1.00853.70 O ATOM 57567 C3* G B2731 -841.895-127.074 42.163 1.00853.70 C ATOM 57568 O3* G B2731 -841.107-127.720 43.156 1.00853.70 O ATOM 57569 C2* G B2731 -842.488-128.060 41.160 1.00853.70 C ATOM 57570 O2* G B2731 -842.786-129.313 41.745 1.00853.70 O ATOM 57571 C1* G B2731 -843.791-127.362 40.758 1.00853.70 C ATOM 57572 N9 G B2731 -843.730-126.643 39.491 1.00853.70 N ATOM 57573 C8 G B2731 -844.182-125.370 39.238 1.00853.70 C ATOM 57574 N7 G B2731 -844.014-125.001 38.000 1.00853.70 N ATOM 57575 C5 G B2731 -843.407-126.095 37.393 1.00853.70 C ATOM 57576 C6 G B2731 -842.987-126.286 36.053 1.00853.70 C ATOM 57577 O6 G B2731 -843.075-125.506 35.098 1.00853.70 O ATOM 57578 N1 G B2731 -842.420-127.543 35.872 1.00853.70 N ATOM 57579 C2 G B2731 -842.275-128.493 36.852 1.00853.70 C ATOM 57580 N2 G B2731 -841.695-129.644 36.478 1.00853.70 N ATOM 57581 N3 G B2731 -842.664-128.327 38.106 1.00853.70 N ATOM 57582 C4 G B2731 -843.219-127.111 38.304 1.00853.70 C ATOM 57583 P C B2732 -839.873-128.656 42.719 1.00853.70 P ATOM 57584 O1P C B2732 -839.416-128.199 41.382 1.00853.70 O ATOM 57585 O2P C B2732 -840.271-130.073 42.913 1.00853.70 O ATOM 57586 O5* C B2732 -838.732-128.307 43.770 1.00853.70 O ATOM 57587 C5* C B2732 -839.035-128.115 45.148 1.00853.70 C ATOM 57588 C4* C B2732 -838.009-127.214 45.783 1.00853.70 C ATOM 57589 O4* C B2732 -837.937-125.976 45.037 1.00853.70 O ATOM 57590 C3* C B2732 -838.269-126.786 47.215 1.00853.70 C ATOM 57591 O3* C B2732 -837.824-127.764 48.150 1.00853.70 O ATOM 57592 C2* C B2732 -837.484-125.485 47.323 1.00853.70 C ATOM 57593 O2* C B2732 -836.113-125.699 47.592 1.00853.70 O ATOM 57594 C1* C B2732 -837.636-124.907 45.912 1.00853.70 C ATOM 57595 N1 C B2732 -838.726-123.927 45.800 1.00853.70 N ATOM 57596 C2 C B2732 -838.408-122.575 45.651 1.00853.70 C ATOM 57597 O2 C B2732 -837.217-122.238 45.616 1.00853.70 O ATOM 57598 N3 C B2732 -839.412-121.670 45.550 1.00853.70 N ATOM 57599 C4 C B2732 -840.682-122.077 45.590 1.00853.70 C ATOM 57600 N4 C B2732 -841.638-121.149 45.490 1.00853.70 N ATOM 57601 C5 C B2732 -841.031-123.447 45.739 1.00853.70 C ATOM 57602 C6 C B2732 -840.031-124.330 45.839 1.00853.70 C ATOM 57603 P A B2733 -838.551-127.883 49.580 1.00853.70 P ATOM 57604 O1P A B2733 -837.848-128.948 50.341 1.00853.70 O ATOM 57605 O2P A B2733 -840.014-127.986 49.353 1.00853.70 O ATOM 57606 O5* A B2733 -838.251-126.487 50.294 1.00853.70 O ATOM 57607 C5* A B2733 -836.931-126.152 50.703 1.00853.70 C ATOM 57608 C4* A B2733 -836.827-124.673 50.998 1.00853.70 C ATOM 57609 O4* A B2733 -837.225-123.907 49.834 1.00853.70 O ATOM 57610 C3* A B2733 -837.700-124.153 52.118 1.00853.70 C ATOM 57611 O3* A B2733 -837.055-124.351 53.370 1.00853.70 O ATOM 57612 C2* A B2733 -837.841-122.675 51.777 1.00853.70 C ATOM 57613 O2* A B2733 -836.745-121.903 52.220 1.00853.70 O ATOM 57614 C1* A B2733 -837.856-122.706 50.247 1.00853.70 C ATOM 57615 N9 A B2733 -839.220-122.686 49.722 1.00853.70 N ATOM 57616 C8 A B2733 -840.020-123.755 49.406 1.00853.70 C ATOM 57617 N7 A B2733 -841.212-123.415 48.979 1.00853.70 N ATOM 57618 C5 A B2733 -841.191-122.027 49.006 1.00853.70 C ATOM 57619 C6 A B2733 -842.154-121.058 48.672 1.00853.70 C ATOM 57620 N6 A B2733 -843.376-121.355 48.226 1.00853.70 N ATOM 57621 N1 A B2733 -841.813-119.759 48.813 1.00853.70 N ATOM 57622 C2 A B2733 -840.588-119.463 49.264 1.00853.70 C ATOM 57623 N3 A B2733 -839.598-120.283 49.611 1.00853.70 N ATOM 57624 C4 A B2733 -839.969-121.566 49.457 1.00853.70 C ATOM 57625 P U B2734 -837.905-124.237 54.731 1.00853.70 P ATOM 57626 O1P U B2734 -836.988-124.525 55.862 1.00853.70 O ATOM 57627 O2P U B2734 -839.145-125.036 54.571 1.00853.70 O ATOM 57628 O5* U B2734 -838.313-122.697 54.805 1.00853.70 O ATOM 57629 C5* U B2734 -837.352-121.701 55.150 1.00853.70 C ATOM 57630 C4* U B2734 -838.040-120.382 55.406 1.00853.70 C ATOM 57631 O4* U B2734 -838.570-119.868 54.156 1.00853.70 O ATOM 57632 C3* U B2734 -839.244-120.441 56.328 1.00853.70 C ATOM 57633 O3* U B2734 -838.871-120.397 57.699 1.00853.70 O ATOM 57634 C2* U B2734 -840.059-119.225 55.904 1.00853.70 C ATOM 57635 O2* U B2734 -839.610-118.029 56.512 1.00853.70 O ATOM 57636 C1* U B2734 -839.774-119.166 54.400 1.00853.70 C ATOM 57637 N1 U B2734 -840.833-119.781 53.587 1.00853.70 N ATOM 57638 C2 U B2734 -841.917-118.995 53.235 1.00853.70 C ATOM 57639 O2 U B2734 -842.022-117.825 53.565 1.00853.70 O ATOM 57640 N3 U B2734 -842.873-119.630 52.481 1.00853.70 N ATOM 57641 C4 U B2734 -842.854-120.941 52.051 1.00853.70 C ATOM 57642 O4 U B2734 -843.793-121.371 51.381 1.00853.70 O ATOM 57643 C5 U B2734 -841.701-121.687 52.452 1.00853.70 C ATOM 57644 C6 U B2734 -840.754-121.093 53.188 1.00853.70 C ATOM 57645 P C B2735 -839.596-121.368 58.752 1.00853.70 P ATOM 57646 O1P C B2735 -839.254-120.884 60.113 1.00853.70 O ATOM 57647 O2P C B2735 -839.296-122.771 58.374 1.00853.70 O ATOM 57648 O5* C B2735 -841.147-121.104 58.511 1.00853.70 O ATOM 57649 C5* C B2735 -842.125-122.066 58.887 1.00853.70 C ATOM 57650 C4* C B2735 -843.328-121.374 59.477 1.00853.70 C ATOM 57651 O4* C B2735 -842.976-120.843 60.782 1.00853.70 O ATOM 57652 C3* C B2735 -843.796-120.163 58.693 1.00853.70 C ATOM 57653 O3* C B2735 -844.645-120.491 57.606 1.00853.70 O ATOM 57654 C2* C B2735 -844.488-119.322 59.757 1.00853.70 C ATOM 57655 O2* C B2735 -845.808-119.750 60.017 1.00853.70 O ATOM 57656 C1* C B2735 -843.603-119.587 60.976 1.00853.70 C ATOM 57657 N1 C B2735 -842.546-118.572 61.105 1.00853.70 N ATOM 57658 C2 C B2735 -842.747-117.494 61.971 1.00853.70 C ATOM 57659 O2 C B2735 -843.797-117.440 62.628 1.00853.70 O ATOM 57660 N3 C B2735 -841.789-116.543 62.073 1.00853.70 N ATOM 57661 C4 C B2735 -840.672-116.643 61.352 1.00853.70 C ATOM 57662 N4 C B2735 -839.759-115.677 61.478 1.00853.70 N ATOM 57663 C5 C B2735 -840.436-117.738 60.472 1.00853.70 C ATOM 57664 C6 C B2735 -841.390-118.670 60.380 1.00853.70 C ATOM 57665 P U B2736 -844.414-119.772 56.187 1.00853.70 P ATOM 57666 O1P U B2736 -843.039-120.113 55.742 1.00853.70 O ATOM 57667 O2P U B2736 -844.815-118.348 56.314 1.00853.70 O ATOM 57668 O5* U B2736 -845.442-120.495 55.213 1.00853.70 O ATOM 57669 C5* U B2736 -845.689-119.987 53.907 1.00853.70 C ATOM 57670 C4* U B2736 -847.169-119.816 53.689 1.00853.70 C ATOM 57671 O4* U B2736 -847.594-120.672 52.601 1.00853.70 O ATOM 57672 C3* U B2736 -848.077-120.194 54.863 1.00853.70 C ATOM 57673 O3* U B2736 -848.224-119.154 55.824 1.00853.70 O ATOM 57674 C2* U B2736 -849.392-120.534 54.166 1.00853.70 C ATOM 57675 O2* U B2736 -850.171-119.394 53.875 1.00853.70 O ATOM 57676 C1* U B2736 -848.906-121.136 52.848 1.00853.70 C ATOM 57677 N1 U B2736 -848.892-122.607 52.805 1.00853.70 N ATOM 57678 C2 U B2736 -850.028-123.237 52.335 1.00853.70 C ATOM 57679 O2 U B2736 -851.030-122.628 52.002 1.00853.70 O ATOM 57680 N3 U B2736 -849.948-124.606 52.281 1.00853.70 N ATOM 57681 C4 U B2736 -848.875-125.389 52.638 1.00853.70 C ATOM 57682 O4 U B2736 -848.932-126.605 52.463 1.00853.70 O ATOM 57683 C5 U B2736 -847.743-124.664 53.133 1.00853.70 C ATOM 57684 C6 U B2736 -847.790-123.329 53.197 1.00853.70 C ATOM 57685 P A B2737 -848.058-119.482 57.387 1.00853.70 P ATOM 57686 O1P A B2737 -846.859-118.754 57.864 1.00853.70 O ATOM 57687 O2P A B2737 -848.146-120.953 57.575 1.00853.70 O ATOM 57688 O5* A B2737 -849.345-118.817 58.051 1.00853.70 O ATOM 57689 C5* A B2737 -849.612-117.423 57.906 1.00853.70 C ATOM 57690 C4* A B2737 -851.029-117.122 58.328 1.00853.70 C ATOM 57691 O4* A B2737 -851.355-115.736 58.045 1.00853.70 O ATOM 57692 C3* A B2737 -852.082-117.961 57.611 1.00853.70 C ATOM 57693 O3* A B2737 -852.321-119.182 58.300 1.00853.70 O ATOM 57694 C2* A B2737 -853.309-117.052 57.651 1.00853.70 C ATOM 57695 O2* A B2737 -854.023-117.164 58.866 1.00853.70 O ATOM 57696 C1* A B2737 -852.685-115.658 57.559 1.00853.70 C ATOM 57697 N9 A B2737 -852.680-115.124 56.199 1.00853.70 N ATOM 57698 C8 A B2737 -851.631-114.634 55.457 1.00853.70 C ATOM 57699 N7 A B2737 -851.976-114.249 54.250 1.00853.70 N ATOM 57700 C5 A B2737 -853.341-114.502 54.195 1.00853.70 C ATOM 57701 C6 A B2737 -854.299-114.315 53.184 1.00853.70 C ATOM 57702 N6 A B2737 -854.020-113.817 51.978 1.00853.70 N ATOM 57703 N1 A B2737 -855.576-114.669 53.458 1.00853.70 N ATOM 57704 C2 A B2737 -855.859-115.173 54.663 1.00853.70 C ATOM 57705 N3 A B2737 -855.046-115.395 55.694 1.00853.70 N ATOM 57706 C4 A B2737 -853.785-115.036 55.388 1.00853.70 C ATOM 57707 P A B2738 -852.024-120.584 57.567 1.00853.70 P ATOM 57708 O1P A B2738 -851.808-121.589 58.637 1.00853.70 O ATOM 57709 O2P A B2738 -850.977-120.373 56.535 1.00853.70 O ATOM 57710 O5* A B2738 -853.387-120.945 56.827 1.00853.70 O ATOM 57711 C5* A B2738 -854.630-120.420 57.287 1.00853.70 C ATOM 57712 C4* A B2738 -855.781-121.191 56.696 1.00853.70 C ATOM 57713 O4* A B2738 -855.657-121.243 55.249 1.00853.70 O ATOM 57714 C3* A B2738 -855.874-122.645 57.144 1.00853.70 C ATOM 57715 O3* A B2738 -856.592-122.777 58.357 1.00853.70 O ATOM 57716 C2* A B2738 -856.585-123.309 55.975 1.00853.70 C ATOM 57717 O2* A B2738 -857.992-123.161 56.029 1.00853.70 O ATOM 57718 C1* A B2738 -856.013-122.537 54.787 1.00853.70 C ATOM 57719 N9 A B2738 -854.805-123.222 54.334 1.00853.70 N ATOM 57720 C8 A B2738 -853.512-122.762 54.342 1.00853.70 C ATOM 57721 N7 A B2738 -852.630-123.663 53.996 1.00853.70 N ATOM 57722 C5 A B2738 -853.396-124.790 53.723 1.00853.70 C ATOM 57723 C6 A B2738 -853.052-126.089 53.330 1.00853.70 C ATOM 57724 N6 A B2738 -851.796-126.507 53.184 1.00853.70 N ATOM 57725 N1 A B2738 -854.058-126.966 53.107 1.00853.70 N ATOM 57726 C2 A B2738 -855.316-126.553 53.292 1.00853.70 C ATOM 57727 N3 A B2738 -855.764-125.366 53.687 1.00853.70 N ATOM 57728 C4 A B2738 -854.738-124.517 53.887 1.00853.70 C ATOM 57729 P G B2739 -855.830-123.322 59.666 1.00853.70 P ATOM 57730 O1P G B2739 -856.593-122.880 60.857 1.00853.70 O ATOM 57731 O2P G B2739 -854.390-122.976 59.546 1.00853.70 O ATOM 57732 O5* G B2739 -855.959-124.906 59.552 1.00853.70 O ATOM 57733 C5* G B2739 -857.000-125.605 60.226 1.00853.70 C ATOM 57734 C4* G B2739 -856.429-126.786 60.970 1.00853.70 C ATOM 57735 O4* G B2739 -855.544-127.536 60.094 1.00853.70 O ATOM 57736 C3* G B2739 -855.577-126.456 62.178 1.00853.70 C ATOM 57737 O3* G B2739 -856.397-126.246 63.318 1.00853.70 O ATOM 57738 C2* G B2739 -854.679-127.679 62.304 1.00853.70 C ATOM 57739 O2* G B2739 -855.309-128.754 62.968 1.00853.70 O ATOM 57740 C1* G B2739 -854.436-128.029 60.835 1.00853.70 C ATOM 57741 N9 G B2739 -853.235-127.355 60.352 1.00853.70 N ATOM 57742 C8 G B2739 -853.187-126.312 59.458 1.00853.70 C ATOM 57743 N7 G B2739 -851.973-125.868 59.258 1.00853.70 N ATOM 57744 C5 G B2739 -851.176-126.674 60.059 1.00853.70 C ATOM 57745 C6 G B2739 -849.770-126.658 60.268 1.00853.70 C ATOM 57746 O6 G B2739 -848.926-125.900 59.778 1.00853.70 O ATOM 57747 N1 G B2739 -849.375-127.652 61.151 1.00853.70 N ATOM 57748 C2 G B2739 -850.215-128.543 61.766 1.00853.70 C ATOM 57749 N2 G B2739 -849.630-129.430 62.585 1.00853.70 N ATOM 57750 N3 G B2739 -851.528-128.565 61.590 1.00853.70 N ATOM 57751 C4 G B2739 -851.937-127.608 60.729 1.00853.70 C ATOM 57752 P C B2740 -856.093-125.001 64.287 1.00853.70 P ATOM 57753 O1P C B2740 -857.232-124.873 65.230 1.00853.70 O ATOM 57754 O2P C B2740 -855.703-123.844 63.443 1.00853.70 O ATOM 57755 O5* C B2740 -854.811-125.471 65.109 1.00853.70 O ATOM 57756 C5* C B2740 -854.953-126.325 66.238 1.00853.70 C ATOM 57757 C4* C B2740 -853.607-126.834 66.703 1.00853.70 C ATOM 57758 O4* C B2740 -852.823-127.289 65.567 1.00853.70 O ATOM 57759 C3* C B2740 -852.713-125.832 67.411 1.00853.70 C ATOM 57760 O3* C B2740 -853.033-125.728 68.792 1.00853.70 O ATOM 57761 C2* C B2740 -851.325-126.428 67.206 1.00853.70 C ATOM 57762 O2* C B2740 -851.032-127.449 68.138 1.00853.70 O ATOM 57763 C1* C B2740 -851.448-127.035 65.808 1.00853.70 C ATOM 57764 N1 C B2740 -850.941-126.109 64.781 1.00853.70 N ATOM 57765 C2 C B2740 -849.663-126.336 64.256 1.00853.70 C ATOM 57766 O2 C B2740 -849.022-127.323 64.644 1.00853.70 O ATOM 57767 N3 C B2740 -849.161-125.473 63.341 1.00853.70 N ATOM 57768 C4 C B2740 -849.887-124.426 62.948 1.00853.70 C ATOM 57769 N4 C B2740 -849.343-123.592 62.055 1.00853.70 N ATOM 57770 C5 C B2740 -851.197-124.181 63.452 1.00853.70 C ATOM 57771 C6 C B2740 -851.682-125.042 64.360 1.00853.70 C ATOM 57772 P G B2741 -852.539-124.447 69.626 1.00853.70 P ATOM 57773 O1P G B2741 -853.450-124.299 70.789 1.00853.70 O ATOM 57774 O2P G B2741 -852.368-123.317 68.677 1.00853.70 O ATOM 57775 O5* G B2741 -851.101-124.870 70.169 1.00853.70 O ATOM 57776 C5* G B2741 -850.902-126.142 70.772 1.00853.70 C ATOM 57777 C4* G B2741 -849.440-126.533 70.743 1.00853.70 C ATOM 57778 O4* G B2741 -848.914-126.431 69.392 1.00853.70 O ATOM 57779 C3* G B2741 -848.524-125.672 71.594 1.00853.70 C ATOM 57780 O3* G B2741 -848.489-126.146 72.938 1.00853.70 O ATOM 57781 C2* G B2741 -847.173-125.855 70.916 1.00853.70 C ATOM 57782 O2* G B2741 -846.506-127.030 71.332 1.00853.70 O ATOM 57783 C1* G B2741 -847.570-125.987 69.444 1.00853.70 C ATOM 57784 N9 G B2741 -847.448-124.714 68.739 1.00853.70 N ATOM 57785 C8 G B2741 -848.454-123.886 68.308 1.00853.70 C ATOM 57786 N7 G B2741 -848.011-122.797 67.733 1.00853.70 N ATOM 57787 C5 G B2741 -846.626-122.922 67.788 1.00853.70 C ATOM 57788 C6 G B2741 -845.596-122.049 67.331 1.00853.70 C ATOM 57789 O6 G B2741 -845.704-120.954 66.770 1.00853.70 O ATOM 57790 N1 G B2741 -844.334-122.569 67.590 1.00853.70 N ATOM 57791 C2 G B2741 -844.086-123.769 68.209 1.00853.70 C ATOM 57792 N2 G B2741 -842.795-124.100 68.366 1.00853.70 N ATOM 57793 N3 G B2741 -845.030-124.586 68.642 1.00853.70 N ATOM 57794 C4 G B2741 -846.268-124.103 68.400 1.00853.70 C ATOM 57795 P G B2742 -848.222-125.109 74.138 1.00853.70 P ATOM 57796 O1P G B2742 -848.287-125.880 75.405 1.00853.70 O ATOM 57797 O2P G B2742 -849.115-123.937 73.948 1.00853.70 O ATOM 57798 O5* G B2742 -846.718-124.630 73.925 1.00853.70 O ATOM 57799 C5* G B2742 -845.633-125.377 74.468 1.00853.70 C ATOM 57800 C4* G B2742 -844.359-124.564 74.457 1.00853.70 C ATOM 57801 O4* G B2742 -843.901-124.362 73.096 1.00853.70 O ATOM 57802 C3* G B2742 -844.400-123.160 75.069 1.00853.70 C ATOM 57803 O3* G B2742 -844.273-123.130 76.486 1.00853.70 O ATOM 57804 C2* G B2742 -843.214-122.480 74.391 1.00853.70 C ATOM 57805 O2* G B2742 -841.985-122.773 75.027 1.00853.70 O ATOM 57806 C1* G B2742 -843.227-123.119 73.002 1.00853.70 C ATOM 57807 N9 G B2742 -843.885-122.290 71.994 1.00853.70 N ATOM 57808 C8 G B2742 -844.978-122.612 71.226 1.00853.70 C ATOM 57809 N7 G B2742 -845.328-121.654 70.410 1.00853.70 N ATOM 57810 C5 G B2742 -844.413-120.640 70.653 1.00853.70 C ATOM 57811 C6 G B2742 -844.286-119.345 70.067 1.00853.70 C ATOM 57812 O6 G B2742 -844.976-118.822 69.184 1.00853.70 O ATOM 57813 N1 G B2742 -843.218-118.641 70.616 1.00853.70 N ATOM 57814 C2 G B2742 -842.380-119.113 71.598 1.00853.70 C ATOM 57815 N2 G B2742 -841.410-118.277 71.993 1.00853.70 N ATOM 57816 N3 G B2742 -842.486-120.310 72.148 1.00853.70 N ATOM 57817 C4 G B2742 -843.518-121.015 71.632 1.00853.70 C ATOM 57818 P G B2743 -845.040-121.993 77.330 1.00853.70 P ATOM 57819 O1P G B2743 -844.472-121.992 78.703 1.00853.70 O ATOM 57820 O2P G B2743 -846.500-122.177 77.141 1.00853.70 O ATOM 57821 O5* G B2743 -844.617-120.631 76.621 1.00853.70 O ATOM 57822 C5* G B2743 -843.342-120.036 76.863 1.00853.70 C ATOM 57823 C4* G B2743 -843.370-118.576 76.479 1.00853.70 C ATOM 57824 O4* G B2743 -843.376-118.447 75.036 1.00853.70 O ATOM 57825 C3* G B2743 -844.543-117.709 76.903 1.00853.70 C ATOM 57826 O3* G B2743 -844.410-117.327 78.269 1.00853.70 O ATOM 57827 C2* G B2743 -844.469-116.529 75.940 1.00853.70 C ATOM 57828 O2* G B2743 -843.565-115.532 76.367 1.00853.70 O ATOM 57829 C1* G B2743 -843.931-117.198 74.668 1.00853.70 C ATOM 57830 N9 G B2743 -844.956-117.447 73.658 1.00853.70 N ATOM 57831 C8 G B2743 -845.827-118.507 73.626 1.00853.70 C ATOM 57832 N7 G B2743 -846.630-118.478 72.596 1.00853.70 N ATOM 57833 C5 G B2743 -846.269-117.329 71.908 1.00853.70 C ATOM 57834 C6 G B2743 -846.785-116.777 70.709 1.00853.70 C ATOM 57835 O6 G B2743 -847.697-117.207 69.989 1.00853.70 O ATOM 57836 N1 G B2743 -846.129-115.600 70.362 1.00853.70 N ATOM 57837 C2 G B2743 -845.108-115.027 71.076 1.00853.70 C ATOM 57838 N2 G B2743 -844.607-113.889 70.577 1.00853.70 N ATOM 57839 N3 G B2743 -844.613-115.532 72.196 1.00853.70 N ATOM 57840 C4 G B2743 -845.236-116.678 72.552 1.00853.70 C ATOM 57841 P A B2744 -845.708-116.882 79.104 1.00853.70 P ATOM 57842 O1P A B2744 -846.482-118.106 79.416 1.00853.70 O ATOM 57843 O2P A B2744 -846.364-115.760 78.383 1.00853.70 O ATOM 57844 O5* A B2744 -845.105-116.317 80.464 1.00853.70 O ATOM 57845 C5* A B2744 -844.198-117.091 81.244 1.00853.70 C ATOM 57846 C4* A B2744 -842.977-116.268 81.576 1.00853.70 C ATOM 57847 O4* A B2744 -842.436-115.710 80.357 1.00853.70 O ATOM 57848 C3* A B2744 -843.168-115.088 82.511 1.00853.70 C ATOM 57849 O3* A B2744 -843.086-115.502 83.874 1.00853.70 O ATOM 57850 C2* A B2744 -842.013-114.163 82.125 1.00853.70 C ATOM 57851 O2* A B2744 -840.800-114.454 82.778 1.00853.70 O ATOM 57852 C1* A B2744 -841.854-114.452 80.631 1.00853.70 C ATOM 57853 N9 A B2744 -842.506-113.453 79.793 1.00853.70 N ATOM 57854 C8 A B2744 -843.842-113.241 79.631 1.00853.70 C ATOM 57855 N7 A B2744 -844.123-112.261 78.808 1.00853.70 N ATOM 57856 C5 A B2744 -842.882-111.798 78.403 1.00853.70 C ATOM 57857 C6 A B2744 -842.494-110.774 77.530 1.00853.70 C ATOM 57858 N6 A B2744 -843.345-109.980 76.882 1.00853.70 N ATOM 57859 N1 A B2744 -841.175-110.583 77.337 1.00853.70 N ATOM 57860 C2 A B2744 -840.314-111.376 77.987 1.00853.70 C ATOM 57861 N3 A B2744 -840.558-112.362 78.843 1.00853.70 N ATOM 57862 C4 A B2744 -841.876-112.524 79.004 1.00853.70 C ATOM 57863 P A B2745 -843.417-114.456 85.051 1.00853.70 P ATOM 57864 O1P A B2745 -842.185-114.315 85.868 1.00853.70 O ATOM 57865 O2P A B2745 -844.683-114.869 85.705 1.00853.70 O ATOM 57866 O5* A B2745 -843.676-113.075 84.304 1.00853.70 O ATOM 57867 C5* A B2745 -845.004-112.629 84.049 1.00853.70 C ATOM 57868 C4* A B2745 -845.112-111.140 84.272 1.00853.70 C ATOM 57869 O4* A B2745 -844.308-110.434 83.283 1.00853.70 O ATOM 57870 C3* A B2745 -846.455-110.554 84.070 1.00853.70 C ATOM 57871 O3* A B2745 -847.260-110.892 85.188 1.00853.70 O ATOM 57872 C2* A B2745 -846.109-109.083 83.940 1.00853.70 C ATOM 57873 O2* A B2745 -845.782-108.499 85.186 1.00853.70 O ATOM 57874 C1* A B2745 -844.890-109.176 83.011 1.00853.70 C ATOM 57875 N9 A B2745 -845.390-109.253 81.636 1.00853.70 N ATOM 57876 C8 A B2745 -845.530-110.391 80.870 1.00853.70 C ATOM 57877 N7 A B2745 -846.172-110.202 79.724 1.00853.70 N ATOM 57878 C5 A B2745 -846.406-108.835 79.731 1.00853.70 C ATOM 57879 C6 A B2745 -847.072-108.023 78.829 1.00853.70 C ATOM 57880 N6 A B2745 -847.697-108.517 77.736 1.00853.70 N ATOM 57881 N1 A B2745 -847.123-106.704 79.097 1.00853.70 N ATOM 57882 C2 A B2745 -846.588-106.265 80.236 1.00853.70 C ATOM 57883 N3 A B2745 -845.971-106.943 81.198 1.00853.70 N ATOM 57884 C4 A B2745 -845.908-108.239 80.880 1.00853.70 C ATOM 57885 P G B2746 -849.661-110.775 84.423 1.00857.06 P ATOM 57886 O1P G B2746 -850.186-111.325 85.697 1.00857.06 O ATOM 57887 O2P G B2746 -849.728-111.597 83.187 1.00857.06 O ATOM 57888 O5* G B2746 -850.399-109.391 84.127 1.00857.06 O ATOM 57889 C5* G B2746 -849.989-108.178 84.753 1.00857.06 C ATOM 57890 C4* G B2746 -850.169-107.013 83.805 1.00857.06 C ATOM 57891 O4* G B2746 -849.395-107.252 82.602 1.00857.06 O ATOM 57892 C3* G B2746 -851.606-106.853 83.334 1.00857.06 C ATOM 57893 O3* G B2746 -852.342-106.022 84.220 1.00857.06 O ATOM 57894 C2* G B2746 -851.448-106.233 81.950 1.00857.06 C ATOM 57895 O2* G B2746 -851.276-104.831 81.995 1.00857.06 O ATOM 57896 C1* G B2746 -850.153-106.892 81.460 1.00857.06 C ATOM 57897 N9 G B2746 -850.389-108.109 80.692 1.00857.06 N ATOM 57898 C8 G B2746 -849.901-109.361 80.966 1.00857.06 C ATOM 57899 N7 G B2746 -850.299-110.267 80.119 1.00857.06 N ATOM 57900 C5 G B2746 -851.096-109.569 79.224 1.00857.06 C ATOM 57901 C6 G B2746 -851.816-110.025 78.091 1.00857.06 C ATOM 57902 O6 G B2746 -851.892-111.172 77.640 1.00857.06 O ATOM 57903 N1 G B2746 -852.492-108.984 77.464 1.00857.06 N ATOM 57904 C2 G B2746 -852.482-107.674 77.873 1.00857.06 C ATOM 57905 N2 G B2746 -853.192-106.815 77.127 1.00857.06 N ATOM 57906 N3 G B2746 -851.821-107.239 78.933 1.00857.06 N ATOM 57907 C4 G B2746 -851.158-108.233 79.558 1.00857.06 C ATOM 57908 P C B2747 -853.703-106.563 84.882 1.00857.06 P ATOM 57909 O1P C B2747 -854.434-105.388 85.423 1.00857.06 O ATOM 57910 O2P C B2747 -853.364-107.693 85.782 1.00857.06 O ATOM 57911 O5* C B2747 -854.529-107.141 83.647 1.00857.06 O ATOM 57912 C5* C B2747 -855.194-106.261 82.742 1.00857.06 C ATOM 57913 C4* C B2747 -856.001-107.051 81.742 1.00857.06 C ATOM 57914 O4* C B2747 -855.113-107.677 80.780 1.00857.06 O ATOM 57915 C3* C B2747 -856.808-108.208 82.316 1.00857.06 C ATOM 57916 O3* C B2747 -858.062-107.805 82.846 1.00857.06 O ATOM 57917 C2* C B2747 -856.974-109.136 81.116 1.00857.06 C ATOM 57918 O2* C B2747 -858.056-108.768 80.287 1.00857.06 O ATOM 57919 C1* C B2747 -855.658-108.917 80.362 1.00857.06 C ATOM 57920 N1 C B2747 -854.662-109.974 80.604 1.00857.06 N ATOM 57921 C2 C B2747 -854.583-111.035 79.700 1.00857.06 C ATOM 57922 O2 C B2747 -855.357-111.052 78.729 1.00857.06 O ATOM 57923 N3 C B2747 -853.673-112.012 79.902 1.00857.06 N ATOM 57924 C4 C B2747 -852.862-111.959 80.959 1.00857.06 C ATOM 57925 N4 C B2747 -851.976-112.945 81.119 1.00857.06 N ATOM 57926 C5 C B2747 -852.922-110.888 81.900 1.00857.06 C ATOM 57927 C6 C B2747 -853.827-109.926 81.684 1.00857.06 C ATOM 57928 P C B2748 -858.769-108.700 83.978 1.00857.06 P ATOM 57929 O1P C B2748 -860.126-108.134 84.202 1.00857.06 O ATOM 57930 O2P C B2748 -857.832-108.833 85.120 1.00857.06 O ATOM 57931 O5* C B2748 -858.935-110.127 83.290 1.00857.06 O ATOM 57932 C5* C B2748 -860.176-110.514 82.714 1.00857.06 C ATOM 57933 C4* C B2748 -860.543-111.920 83.131 1.00857.06 C ATOM 57934 O4* C B2748 -859.970-112.888 82.215 1.00857.06 O ATOM 57935 C3* C B2748 -860.016-112.353 84.485 1.00857.06 C ATOM 57936 O3* C B2748 -860.842-111.884 85.539 1.00857.06 O ATOM 57937 C2* C B2748 -860.038-113.872 84.383 1.00857.06 C ATOM 57938 O2* C B2748 -861.310-114.419 84.667 1.00857.06 O ATOM 57939 C1* C B2748 -859.699-114.095 82.908 1.00857.06 C ATOM 57940 N1 C B2748 -858.282-114.447 82.715 1.00857.06 N ATOM 57941 C2 C B2748 -857.900-115.788 82.863 1.00857.06 C ATOM 57942 O2 C B2748 -858.764-116.634 83.134 1.00857.06 O ATOM 57943 N3 C B2748 -856.600-116.126 82.709 1.00857.06 N ATOM 57944 C4 C B2748 -855.698-115.187 82.415 1.00857.06 C ATOM 57945 N4 C B2748 -854.424-115.565 82.281 1.00857.06 N ATOM 57946 C5 C B2748 -856.059-113.820 82.251 1.00857.06 C ATOM 57947 C6 C B2748 -857.354-113.497 82.406 1.00857.06 C ATOM 57948 P A B2749 -860.169-111.416 86.924 1.00857.06 P ATOM 57949 O1P A B2749 -861.187-110.649 87.682 1.00857.06 O ATOM 57950 O2P A B2749 -858.861-110.786 86.604 1.00857.06 O ATOM 57951 O5* A B2749 -859.886-112.780 87.700 1.00857.06 O ATOM 57952 C5* A B2749 -860.837-113.843 87.673 1.00857.06 C ATOM 57953 C4* A B2749 -860.152-115.178 87.858 1.00857.06 C ATOM 57954 O4* A B2749 -859.239-115.412 86.755 1.00857.06 O ATOM 57955 C3* A B2749 -859.286-115.270 89.095 1.00857.06 C ATOM 57956 O3* A B2749 -860.058-115.672 90.220 1.00857.06 O ATOM 57957 C2* A B2749 -858.270-116.339 88.717 1.00857.06 C ATOM 57958 O2* A B2749 -858.765-117.649 88.916 1.00857.06 O ATOM 57959 C1* A B2749 -858.083-116.079 87.226 1.00857.06 C ATOM 57960 N9 A B2749 -856.921-115.224 86.985 1.00857.06 N ATOM 57961 C8 A B2749 -856.884-113.965 86.442 1.00857.06 C ATOM 57962 N7 A B2749 -855.677-113.452 86.383 1.00857.06 N ATOM 57963 C5 A B2749 -854.867-114.440 86.924 1.00857.06 C ATOM 57964 C6 A B2749 -853.483-114.512 87.150 1.00857.06 C ATOM 57965 N6 A B2749 -852.631-113.531 86.846 1.00857.06 N ATOM 57966 N1 A B2749 -852.994-115.642 87.705 1.00857.06 N ATOM 57967 C2 A B2749 -853.849-116.625 88.009 1.00857.06 C ATOM 57968 N3 A B2749 -855.169-116.677 87.849 1.00857.06 N ATOM 57969 C4 A B2749 -855.621-115.537 87.292 1.00857.06 C ATOM 57970 P G B2750 -860.011-114.797 91.571 1.00857.06 P ATOM 57971 O1P G B2750 -861.385-114.785 92.132 1.00857.06 O ATOM 57972 O2P G B2750 -859.331-113.510 91.273 1.00857.06 O ATOM 57973 O5* G B2750 -859.078-115.631 92.566 1.00857.06 O ATOM 57974 C5* G B2750 -859.181-117.050 92.655 1.00857.06 C ATOM 57975 C4* G B2750 -857.808-117.672 92.802 1.00857.06 C ATOM 57976 O4* G B2750 -857.048-117.456 91.585 1.00857.06 O ATOM 57977 C3* G B2750 -856.943-117.081 93.902 1.00857.06 C ATOM 57978 O3* G B2750 -857.212-117.697 95.158 1.00857.06 O ATOM 57979 C2* G B2750 -855.528-117.386 93.423 1.00857.06 C ATOM 57980 O2* G B2750 -855.104-118.689 93.764 1.00857.06 O ATOM 57981 C1* G B2750 -855.678-117.276 91.905 1.00857.06 C ATOM 57982 N9 G B2750 -855.255-115.982 91.382 1.00857.06 N ATOM 57983 C8 G B2750 -856.068-114.928 91.029 1.00857.06 C ATOM 57984 N7 G B2750 -855.404-113.895 90.588 1.00857.06 N ATOM 57985 C5 G B2750 -854.073-114.287 90.657 1.00857.06 C ATOM 57986 C6 G B2750 -852.893-113.579 90.313 1.00857.06 C ATOM 57987 O6 G B2750 -852.783-112.433 89.862 1.00857.06 O ATOM 57988 N1 G B2750 -851.755-114.349 90.536 1.00857.06 N ATOM 57989 C2 G B2750 -851.750-115.630 91.029 1.00857.06 C ATOM 57990 N2 G B2750 -850.545-116.209 91.180 1.00857.06 N ATOM 57991 N3 G B2750 -852.845-116.298 91.356 1.00857.06 N ATOM 57992 C4 G B2750 -853.963-115.571 91.144 1.00857.06 C ATOM 57993 P C B2751 -858.077-116.912 96.265 1.00857.06 P ATOM 57994 O1P C B2751 -858.539-117.923 97.256 1.00857.06 O ATOM 57995 O2P C B2751 -859.077-116.068 95.563 1.00857.06 O ATOM 57996 O5* C B2751 -857.033-115.952 96.988 1.00857.06 O ATOM 57997 C5* C B2751 -856.426-116.321 98.226 1.00857.06 C ATOM 57998 C4* C B2751 -856.171-115.091 99.069 1.00857.06 C ATOM 57999 O4* C B2751 -855.222-114.227 98.390 1.00857.06 O ATOM 58000 C3* C B2751 -857.380-114.196 99.343 1.00857.06 C ATOM 58001 O3* C B2751 -858.168-114.627 100.448 1.00857.06 O ATOM 58002 C2* C B2751 -856.733-112.838 99.603 1.00857.06 C ATOM 58003 O2* C B2751 -856.282-112.700 100.934 1.00857.06 O ATOM 58004 C1* C B2751 -855.533-112.868 98.656 1.00857.06 C ATOM 58005 N1 C B2751 -855.780-112.194 97.369 1.00857.06 N ATOM 58006 C2 C B2751 -855.958-110.801 97.349 1.00857.06 C ATOM 58007 O2 C B2751 -855.913-110.169 98.412 1.00857.06 O ATOM 58008 N3 C B2751 -856.176-110.182 96.165 1.00857.06 N ATOM 58009 C4 C B2751 -856.225-110.894 95.038 1.00857.06 C ATOM 58010 N4 C B2751 -856.445-110.241 93.899 1.00857.06 N ATOM 58011 C5 C B2751 -856.053-112.310 95.035 1.00857.06 C ATOM 58012 C6 C B2751 -855.834-112.913 96.208 1.00857.06 C ATOM 58013 P C B2752 -859.767-114.441 100.405 1.00857.06 P ATOM 58014 O1P C B2752 -860.338-115.293 101.482 1.00857.06 O ATOM 58015 O2P C B2752 -860.226-114.617 99.007 1.00857.06 O ATOM 58016 O5* C B2752 -859.985-112.919 100.820 1.00857.06 O ATOM 58017 C5* C B2752 -859.942-112.522 102.186 1.00857.06 C ATOM 58018 C4* C B2752 -860.139-111.029 102.299 1.00857.06 C ATOM 58019 O4* C B2752 -859.188-110.347 101.444 1.00857.06 O ATOM 58020 C3* C B2752 -861.487-110.437 101.903 1.00857.06 C ATOM 58021 O3* C B2752 -862.493-110.566 102.898 1.00857.06 O ATOM 58022 C2* C B2752 -861.131-108.983 101.621 1.00857.06 C ATOM 58023 O2* C B2752 -861.044-108.205 102.799 1.00857.06 O ATOM 58024 C1* C B2752 -859.746-109.122 100.993 1.00857.06 C ATOM 58025 N1 C B2752 -859.813-109.157 99.525 1.00857.06 N ATOM 58026 C2 C B2752 -860.125-107.978 98.843 1.00857.06 C ATOM 58027 O2 C B2752 -860.317-106.943 99.494 1.00857.06 O ATOM 58028 N3 C B2752 -860.208-108.000 97.492 1.00857.06 N ATOM 58029 C4 C B2752 -859.993-109.134 96.827 1.00857.06 C ATOM 58030 N4 C B2752 -860.089-109.108 95.497 1.00857.06 N ATOM 58031 C5 C B2752 -859.668-110.350 97.499 1.00857.06 C ATOM 58032 C6 C B2752 -859.590-110.318 98.835 1.00857.06 C ATOM 58033 P C B2753 -864.026-110.282 102.516 1.00857.06 P ATOM 58034 O1P C B2753 -864.858-110.757 103.650 1.00857.06 O ATOM 58035 O2P C B2753 -864.270-110.816 101.154 1.00857.06 O ATOM 58036 O5* C B2753 -864.123-108.690 102.458 1.00857.06 O ATOM 58037 C5* C B2753 -863.901-107.914 103.628 1.00857.06 C ATOM 58038 C4* C B2753 -864.064-106.439 103.330 1.00857.06 C ATOM 58039 O4* C B2753 -863.094-106.032 102.327 1.00857.06 O ATOM 58040 C3* C B2753 -865.418-106.092 102.739 1.00857.06 C ATOM 58041 O3* C B2753 -866.390-105.833 103.745 1.00857.06 O ATOM 58042 C2* C B2753 -865.117-104.832 101.934 1.00857.06 C ATOM 58043 O2* C B2753 -865.112-103.668 102.735 1.00857.06 O ATOM 58044 C1* C B2753 -863.701-105.115 101.432 1.00857.06 C ATOM 58045 N1 C B2753 -863.718-105.703 100.085 1.00857.06 N ATOM 58046 C2 C B2753 -864.009-104.877 98.998 1.00857.06 C ATOM 58047 O2 C B2753 -864.200-103.668 99.202 1.00857.06 O ATOM 58048 N3 C B2753 -864.075-105.407 97.757 1.00857.06 N ATOM 58049 C4 C B2753 -863.857-106.711 97.579 1.00857.06 C ATOM 58050 N4 C B2753 -863.949-107.196 96.338 1.00857.06 N ATOM 58051 C5 C B2753 -863.540-107.579 98.668 1.00857.06 C ATOM 58052 C6 C B2753 -863.481-107.037 99.892 1.00857.06 C ATOM 58053 P C B2754 -867.900-106.340 103.533 1.00857.06 P ATOM 58054 O1P C B2754 -868.661-106.075 104.781 1.00857.06 O ATOM 58055 O2P C B2754 -867.859-107.714 102.979 1.00857.06 O ATOM 58056 O5* C B2754 -868.473-105.359 102.415 1.00857.06 O ATOM 58057 C5* C B2754 -868.340-103.950 102.550 1.00857.06 C ATOM 58058 C4* C B2754 -868.454-103.286 101.204 1.00857.06 C ATOM 58059 O4* C B2754 -867.374-103.733 100.346 1.00857.06 O ATOM 58060 C3* C B2754 -869.728-103.651 100.470 1.00857.06 C ATOM 58061 O3* C B2754 -870.777-102.757 100.823 1.00857.06 O ATOM 58062 C2* C B2754 -869.333-103.519 99.003 1.00857.06 C ATOM 58063 O2* C B2754 -869.431-102.191 98.528 1.00857.06 O ATOM 58064 C1* C B2754 -867.861-103.941 99.035 1.00857.06 C ATOM 58065 N1 C B2754 -867.641-105.353 98.670 1.00857.06 N ATOM 58066 C2 C B2754 -867.970-105.771 97.378 1.00857.06 C ATOM 58067 O2 C B2754 -868.444-104.945 96.586 1.00857.06 O ATOM 58068 N3 C B2754 -867.763-107.063 97.025 1.00857.06 N ATOM 58069 C4 C B2754 -867.251-107.919 97.911 1.00857.06 C ATOM 58070 N4 C B2754 -867.057-109.182 97.523 1.00857.06 N ATOM 58071 C5 C B2754 -866.914-107.520 99.238 1.00857.06 C ATOM 58072 C6 C B2754 -867.123-106.241 99.571 1.00857.06 C ATOM 58073 P A B2755 -872.179-103.340 101.363 1.00857.06 P ATOM 58074 O1P A B2755 -873.014-102.184 101.766 1.00857.06 O ATOM 58075 O2P A B2755 -871.889-104.419 102.345 1.00857.06 O ATOM 58076 O5* A B2755 -872.836-104.006 100.078 1.00857.06 O ATOM 58077 C5* A B2755 -873.176-103.218 98.940 1.00857.06 C ATOM 58078 C4* A B2755 -873.123-104.063 97.688 1.00857.06 C ATOM 58079 O4* A B2755 -871.787-104.612 97.540 1.00857.06 O ATOM 58080 C3* A B2755 -874.043-105.272 97.686 1.00857.06 C ATOM 58081 O3* A B2755 -875.362-104.942 97.263 1.00857.06 O ATOM 58082 C2* A B2755 -873.335-106.229 96.735 1.00857.06 C ATOM 58083 O2* A B2755 -873.587-105.948 95.374 1.00857.06 O ATOM 58084 C1* A B2755 -871.867-105.930 97.036 1.00857.06 C ATOM 58085 N9 A B2755 -871.310-106.830 98.042 1.00857.06 N ATOM 58086 C8 A B2755 -871.220-106.617 99.396 1.00857.06 C ATOM 58087 N7 A B2755 -870.670-107.609 100.052 1.00857.06 N ATOM 58088 C5 A B2755 -870.378-108.540 99.067 1.00857.06 C ATOM 58089 C6 A B2755 -869.784-109.813 99.114 1.00857.06 C ATOM 58090 N6 A B2755 -869.357-110.387 100.239 1.00857.06 N ATOM 58091 N1 A B2755 -869.644-110.481 97.949 1.00857.06 N ATOM 58092 C2 A B2755 -870.073-109.904 96.821 1.00857.06 C ATOM 58093 N3 A B2755 -870.643-108.712 96.647 1.00857.06 N ATOM 58094 C4 A B2755 -870.764-108.075 97.823 1.00857.06 C ATOM 58095 P A B2756 -876.616-105.761 97.854 1.00857.06 P ATOM 58096 O1P A B2756 -877.601-104.771 98.361 1.00857.06 O ATOM 58097 O2P A B2756 -876.102-106.816 98.763 1.00857.06 O ATOM 58098 O5* A B2756 -877.238-106.468 96.572 1.00857.06 O ATOM 58099 C5* A B2756 -876.650-107.650 96.044 1.00857.06 C ATOM 58100 C4* A B2756 -877.374-108.105 94.802 1.00857.06 C ATOM 58101 O4* A B2756 -876.707-109.244 94.214 1.00857.06 O ATOM 58102 C3* A B2756 -878.804-108.566 95.015 1.00857.06 C ATOM 58103 O3* A B2756 -879.651-107.424 94.987 1.00857.06 O ATOM 58104 C2* A B2756 -879.055-109.471 93.806 1.00857.06 C ATOM 58105 O2* A B2756 -879.516-108.750 92.683 1.00857.06 O ATOM 58106 C1* A B2756 -877.655-110.012 93.503 1.00857.06 C ATOM 58107 N9 A B2756 -877.416-111.430 93.773 1.00857.06 N ATOM 58108 C8 A B2756 -877.034-112.043 94.939 1.00857.06 C ATOM 58109 N7 A B2756 -876.878-113.342 94.827 1.00857.06 N ATOM 58110 C5 A B2756 -877.190-113.601 93.499 1.00857.06 C ATOM 58111 C6 A B2756 -877.221-114.788 92.746 1.00857.06 C ATOM 58112 N6 A B2756 -876.933-115.993 93.243 1.00857.06 N ATOM 58113 N1 A B2756 -877.565-114.697 91.445 1.00857.06 N ATOM 58114 C2 A B2756 -877.865-113.495 90.943 1.00857.06 C ATOM 58115 N3 A B2756 -877.873-112.309 91.548 1.00857.06 N ATOM 58116 C4 A B2756 -877.523-112.433 92.840 1.00857.06 C ATOM 58117 P G B2757 -880.571-107.073 96.253 1.00857.06 P ATOM 58118 O1P G B2757 -879.669-106.971 97.431 1.00857.06 O ATOM 58119 O2P G B2757 -881.720-108.009 96.291 1.00857.06 O ATOM 58120 O5* G B2757 -881.105-105.612 95.919 1.00857.06 O ATOM 58121 C5* G B2757 -881.347-105.209 94.571 1.00857.06 C ATOM 58122 C4* G B2757 -880.974-103.756 94.388 1.00857.06 C ATOM 58123 O4* G B2757 -881.990-102.933 95.010 1.00857.06 O ATOM 58124 C3* G B2757 -879.684-103.255 94.993 1.00857.06 C ATOM 58125 O3* G B2757 -878.597-103.557 94.129 1.00857.06 O ATOM 58126 C2* G B2757 -879.926-101.759 95.143 1.00857.06 C ATOM 58127 O2* G B2757 -879.670-101.041 93.954 1.00857.06 O ATOM 58128 C1* G B2757 -881.422-101.721 95.457 1.00857.06 C ATOM 58129 N9 G B2757 -881.730-101.616 96.878 1.00857.06 N ATOM 58130 C8 G B2757 -881.254-102.398 97.901 1.00857.06 C ATOM 58131 N7 G B2757 -881.761-102.085 99.062 1.00857.06 N ATOM 58132 C5 G B2757 -882.613-101.027 98.787 1.00857.06 C ATOM 58133 C6 G B2757 -883.447-100.271 99.651 1.00857.06 C ATOM 58134 O6 G B2757 -883.612-100.396 100.866 1.00857.06 O ATOM 58135 N1 G B2757 -884.139 -99.287 98.953 1.00857.06 N ATOM 58136 C2 G B2757 -884.046 -99.056 97.603 1.00857.06 C ATOM 58137 N2 G B2757 -884.788 -98.056 97.116 1.00857.06 N ATOM 58138 N3 G B2757 -883.276 -99.758 96.791 1.00857.06 N ATOM 58139 C4 G B2757 -882.595-100.719 97.447 1.00857.06 C ATOM 58140 P A B2758 -877.084-103.427 94.656 1.00857.06 P ATOM 58141 O1P A B2758 -876.546-104.798 94.838 1.00857.06 O ATOM 58142 O2P A B2758 -877.047-102.470 95.793 1.00857.06 O ATOM 58143 O5* A B2758 -876.336-102.760 93.425 1.00857.06 O ATOM 58144 C5* A B2758 -876.944-101.702 92.687 1.00857.06 C ATOM 58145 C4* A B2758 -876.924-102.023 91.213 1.00857.06 C ATOM 58146 O4* A B2758 -875.589-102.480 90.872 1.00857.06 O ATOM 58147 C3* A B2758 -877.831-103.156 90.745 1.00857.06 C ATOM 58148 O3* A B2758 -879.180-102.785 90.478 1.00857.06 O ATOM 58149 C2* A B2758 -877.133-103.636 89.481 1.00857.06 C ATOM 58150 O2* A B2758 -877.439-102.834 88.358 1.00857.06 O ATOM 58151 C1* A B2758 -875.664-103.463 89.858 1.00857.06 C ATOM 58152 N9 A B2758 -875.083-104.712 90.364 1.00857.06 N ATOM 58153 C8 A B2758 -874.524-105.002 91.586 1.00857.06 C ATOM 58154 N7 A B2758 -874.119-106.251 91.700 1.00857.06 N ATOM 58155 C5 A B2758 -874.438-106.814 90.469 1.00857.06 C ATOM 58156 C6 A B2758 -874.272-108.105 89.945 1.00857.06 C ATOM 58157 N6 A B2758 -873.739-109.116 90.623 1.00857.06 N ATOM 58158 N1 A B2758 -874.686-108.327 88.681 1.00857.06 N ATOM 58159 C2 A B2758 -875.233-107.317 87.999 1.00857.06 C ATOM 58160 N3 A B2758 -875.450-106.067 88.380 1.00857.06 N ATOM 58161 C4 A B2758 -875.024-105.876 89.640 1.00857.06 C ATOM 58162 P U B2759 -880.284-103.934 90.240 1.00857.06 P ATOM 58163 O1P U B2759 -880.515-104.597 91.548 1.00857.06 O ATOM 58164 O2P U B2759 -879.866-104.749 89.071 1.00857.06 O ATOM 58165 O5* U B2759 -881.610-103.149 89.843 1.00857.06 O ATOM 58166 C5* U B2759 -882.524-103.691 88.881 1.00857.06 C ATOM 58167 C4* U B2759 -883.213-102.572 88.136 1.00857.06 C ATOM 58168 O4* U B2759 -884.223-102.013 89.019 1.00857.06 O ATOM 58169 C3* U B2759 -882.311-101.403 87.809 1.00857.06 C ATOM 58170 O3* U B2759 -881.576-101.477 86.582 1.00857.06 O ATOM 58171 C2* U B2759 -883.277-100.227 87.774 1.00857.06 C ATOM 58172 O2* U B2759 -883.942-100.102 86.533 1.00857.06 O ATOM 58173 C1* U B2759 -884.274-100.608 88.869 1.00857.06 C ATOM 58174 N1 U B2759 -883.909-100.001 90.154 1.00857.06 N ATOM 58175 C2 U B2759 -884.369 -98.732 90.433 1.00857.06 C ATOM 58176 O2 U B2759 -885.087 -98.104 89.669 1.00857.06 O ATOM 58177 N3 U B2759 -883.964 -98.221 91.640 1.00857.06 N ATOM 58178 C4 U B2759 -883.162 -98.846 92.577 1.00857.06 C ATOM 58179 O4 U B2759 -882.877 -98.259 93.621 1.00857.06 O ATOM 58180 C5 U B2759 -882.740-100.162 92.219 1.00857.06 C ATOM 58181 C6 U B2759 -883.118-100.681 91.052 1.00857.06 C ATOM 58182 P G B2760 -882.008-102.497 85.413 1.00857.06 P ATOM 58183 O1P G B2760 -881.044-102.281 84.304 1.00857.06 O ATOM 58184 O2P G B2760 -883.464-102.336 85.163 1.00857.06 O ATOM 58185 O5* G B2760 -881.753-103.961 85.985 1.00857.06 O ATOM 58186 C5* G B2760 -882.673-105.008 85.707 1.00857.06 C ATOM 58187 C4* G B2760 -881.954-106.332 85.643 1.00857.06 C ATOM 58188 O4* G B2760 -880.918-106.247 84.631 1.00857.06 O ATOM 58189 C3* G B2760 -881.225-106.812 86.883 1.00857.06 C ATOM 58190 O3* G B2760 -882.128-107.447 87.786 1.00857.06 O ATOM 58191 C2* G B2760 -880.176-107.758 86.314 1.00857.06 C ATOM 58192 O2* G B2760 -880.687-109.050 86.060 1.00857.06 O ATOM 58193 C1* G B2760 -879.829-107.078 84.987 1.00857.06 C ATOM 58194 N9 G B2760 -878.637-106.239 85.070 1.00857.06 N ATOM 58195 C8 G B2760 -878.591-104.887 85.310 1.00857.06 C ATOM 58196 N7 G B2760 -877.376-104.409 85.330 1.00857.06 N ATOM 58197 C5 G B2760 -876.571-105.514 85.092 1.00857.06 C ATOM 58198 C6 G B2760 -875.156-105.621 85.003 1.00857.06 C ATOM 58199 O6 G B2760 -874.308-104.730 85.119 1.00857.06 O ATOM 58200 N1 G B2760 -874.761-106.930 84.745 1.00857.06 N ATOM 58201 C2 G B2760 -875.612-107.999 84.600 1.00857.06 C ATOM 58202 N2 G B2760 -875.040-109.185 84.357 1.00857.06 N ATOM 58203 N3 G B2760 -876.928-107.913 84.682 1.00857.06 N ATOM 58204 C4 G B2760 -877.334-106.652 84.928 1.00857.06 C ATOM 58205 P A B2761 -881.576-108.126 89.138 1.00857.06 P ATOM 58206 O1P A B2761 -880.438-107.315 89.640 1.00857.06 O ATOM 58207 O2P A B2761 -881.376-109.573 88.867 1.00857.06 O ATOM 58208 O5* A B2761 -882.765-107.979 90.189 1.00857.06 O ATOM 58209 C5* A B2761 -882.483-107.813 91.578 1.00857.06 C ATOM 58210 C4* A B2761 -883.750-107.937 92.391 1.00857.06 C ATOM 58211 O4* A B2761 -884.664-106.889 91.977 1.00857.06 O ATOM 58212 C3* A B2761 -884.585-109.203 92.278 1.00857.06 C ATOM 58213 O3* A B2761 -884.077-110.245 93.101 1.00857.06 O ATOM 58214 C2* A B2761 -885.961-108.737 92.740 1.00857.06 C ATOM 58215 O2* A B2761 -886.087-108.722 94.146 1.00857.06 O ATOM 58216 C1* A B2761 -885.998-107.300 92.214 1.00857.06 C ATOM 58217 N9 A B2761 -886.724-107.201 90.950 1.00857.06 N ATOM 58218 C8 A B2761 -887.523-108.150 90.364 1.00857.06 C ATOM 58219 N7 A B2761 -888.067-107.760 89.237 1.00857.06 N ATOM 58220 C5 A B2761 -887.588-106.470 89.065 1.00857.06 C ATOM 58221 C6 A B2761 -887.798-105.512 88.062 1.00857.06 C ATOM 58222 N6 A B2761 -888.580-105.712 86.998 1.00857.06 N ATOM 58223 N1 A B2761 -887.172-104.324 88.189 1.00857.06 N ATOM 58224 C2 A B2761 -886.390-104.119 89.259 1.00857.06 C ATOM 58225 N3 A B2761 -886.120-104.941 90.269 1.00857.06 N ATOM 58226 C4 A B2761 -886.757-106.115 90.111 1.00857.06 C ATOM 58227 P G B2762 -884.961-111.562 93.362 1.00857.06 P ATOM 58228 O1P G B2762 -885.881-111.746 92.216 1.00857.06 O ATOM 58229 O2P G B2762 -885.511-111.496 94.739 1.00857.06 O ATOM 58230 O5* G B2762 -883.908-112.753 93.305 1.00857.06 O ATOM 58231 C5* G B2762 -883.816-113.603 92.165 1.00857.06 C ATOM 58232 C4* G B2762 -882.578-114.450 92.275 1.00857.06 C ATOM 58233 O4* G B2762 -881.447-113.586 92.547 1.00857.06 O ATOM 58234 C3* G B2762 -882.549-115.458 93.406 1.00857.06 C ATOM 58235 O3* G B2762 -883.254-116.641 93.055 1.00857.06 O ATOM 58236 C2* G B2762 -881.058-115.661 93.634 1.00857.06 C ATOM 58237 O2* G B2762 -880.488-116.568 92.708 1.00857.06 O ATOM 58238 C1* G B2762 -880.523-114.252 93.386 1.00857.06 C ATOM 58239 N9 G B2762 -880.416-113.469 94.615 1.00857.06 N ATOM 58240 C8 G B2762 -880.843-112.177 94.804 1.00857.06 C ATOM 58241 N7 G B2762 -880.633-111.737 96.015 1.00857.06 N ATOM 58242 C5 G B2762 -880.028-112.803 96.667 1.00857.06 C ATOM 58243 C6 G B2762 -879.566-112.925 98.010 1.00857.06 C ATOM 58244 O6 G B2762 -879.607-112.094 98.925 1.00857.06 O ATOM 58245 N1 G B2762 -879.014-114.177 98.247 1.00857.06 N ATOM 58246 C2 G B2762 -878.913-115.184 97.320 1.00857.06 C ATOM 58247 N2 G B2762 -878.347-116.320 97.749 1.00857.06 N ATOM 58248 N3 G B2762 -879.336-115.085 96.069 1.00857.06 N ATOM 58249 C4 G B2762 -879.879-113.878 95.817 1.00857.06 C ATOM 58250 P U B2763 -884.415-117.182 94.020 1.00857.06 P ATOM 58251 O1P U B2763 -885.128-118.275 93.315 1.00857.06 O ATOM 58252 O2P U B2763 -885.183-116.011 94.526 1.00857.06 O ATOM 58253 O5* U B2763 -883.616-117.813 95.245 1.00857.06 O ATOM 58254 C5* U B2763 -883.294-119.200 95.256 1.00857.06 C ATOM 58255 C4* U B2763 -882.582-119.560 96.537 1.00857.06 C ATOM 58256 O4* U B2763 -881.685-118.483 96.915 1.00857.06 O ATOM 58257 C3* U B2763 -883.371-119.719 97.827 1.00857.06 C ATOM 58258 O3* U B2763 -884.011-120.983 97.837 1.00857.06 O ATOM 58259 C2* U B2763 -882.330-119.578 98.929 1.00857.06 C ATOM 58260 O2* U B2763 -881.691-120.799 99.232 1.00857.06 O ATOM 58261 C1* U B2763 -881.333-118.615 98.284 1.00857.06 C ATOM 58262 N1 U B2763 -881.401-117.283 98.905 1.00857.06 N ATOM 58263 C2 U B2763 -880.506-117.003 99.918 1.00857.06 C ATOM 58264 O2 U B2763 -879.667-117.805 100.298 1.00857.06 O ATOM 58265 N3 U B2763 -880.629-115.753 100.471 1.00857.06 N ATOM 58266 C4 U B2763 -881.540-114.774 100.117 1.00857.06 C ATOM 58267 O4 U B2763 -881.541-113.703 100.721 1.00857.06 O ATOM 58268 C5 U B2763 -882.432-115.144 99.060 1.00857.06 C ATOM 58269 C6 U B2763 -882.333-116.353 98.504 1.00857.06 C ATOM 58270 P U B2764 -885.243-121.230 98.834 1.00857.06 P ATOM 58271 O1P U B2764 -885.818-122.564 98.526 1.00857.06 O ATOM 58272 O2P U B2764 -886.117-120.027 98.800 1.00857.06 O ATOM 58273 O5* U B2764 -884.552-121.300 100.267 1.00857.06 O ATOM 58274 C5* U B2764 -883.849-122.471 100.670 1.00857.06 C ATOM 58275 C4* U B2764 -883.095-122.226 101.955 1.00857.06 C ATOM 58276 O4* U B2764 -882.231-121.068 101.836 1.00857.06 O ATOM 58277 C3* U B2764 -883.921-121.956 103.193 1.00857.06 C ATOM 58278 O3* U B2764 -884.374-123.186 103.747 1.00857.06 O ATOM 58279 C2* U B2764 -882.927-121.252 104.114 1.00857.06 C ATOM 58280 O2* U B2764 -882.122-122.154 104.844 1.00857.06 O ATOM 58281 C1* U B2764 -882.057-120.481 103.119 1.00857.06 C ATOM 58282 N1 U B2764 -882.389-119.053 103.043 1.00857.06 N ATOM 58283 C2 U B2764 -881.666-118.188 103.847 1.00857.06 C ATOM 58284 O2 U B2764 -880.779-118.563 104.591 1.00857.06 O ATOM 58285 N3 U B2764 -882.022-116.865 103.745 1.00857.06 N ATOM 58286 C4 U B2764 -883.002-116.330 102.939 1.00857.06 C ATOM 58287 O4 U B2764 -883.203-115.114 102.960 1.00857.06 O ATOM 58288 C5 U B2764 -883.705-117.287 102.138 1.00857.06 C ATOM 58289 C6 U B2764 -883.380-118.583 102.215 1.00857.06 C ATOM 58290 P C B2765 -885.564-123.176 104.823 1.00857.06 P ATOM 58291 O1P C B2765 -886.077-124.563 104.929 1.00857.06 O ATOM 58292 O2P C B2765 -886.496-122.074 104.483 1.00857.06 O ATOM 58293 O5* C B2765 -884.833-122.809 106.192 1.00857.06 O ATOM 58294 C5* C B2765 -884.284-123.833 107.014 1.00857.06 C ATOM 58295 C4* C B2765 -883.806-123.260 108.328 1.00857.06 C ATOM 58296 O4* C B2765 -882.779-122.260 108.093 1.00857.06 O ATOM 58297 C3* C B2765 -884.830-122.561 109.205 1.00857.06 C ATOM 58298 O3* C B2765 -885.566-123.489 109.990 1.00857.06 O ATOM 58299 C2* C B2765 -883.963-121.655 110.068 1.00857.06 C ATOM 58300 O2* C B2765 -883.393-122.333 111.167 1.00857.06 O ATOM 58301 C1* C B2765 -882.863-121.250 109.084 1.00857.06 C ATOM 58302 N1 C B2765 -883.177-119.969 108.431 1.00857.06 N ATOM 58303 C2 C B2765 -882.822-118.781 109.077 1.00857.06 C ATOM 58304 O2 C B2765 -882.232-118.840 110.164 1.00857.06 O ATOM 58305 N3 C B2765 -883.129-117.598 108.498 1.00857.06 N ATOM 58306 C4 C B2765 -883.765-117.574 107.322 1.00857.06 C ATOM 58307 N4 C B2765 -884.056-116.383 106.794 1.00857.06 N ATOM 58308 C5 C B2765 -884.128-118.769 106.641 1.00857.06 C ATOM 58309 C6 C B2765 -883.818-119.935 107.222 1.00857.06 C ATOM 58310 P U B2766 -887.057-123.114 110.450 1.00857.06 P ATOM 58311 O1P U B2766 -887.407-123.966 111.618 1.00857.06 O ATOM 58312 O2P U B2766 -887.930-123.123 109.250 1.00857.06 O ATOM 58313 O5* U B2766 -886.934-121.609 110.958 1.00857.06 O ATOM 58314 C5* U B2766 -886.526-121.318 112.289 1.00857.06 C ATOM 58315 C4* U B2766 -886.834-119.877 112.620 1.00857.06 C ATOM 58316 O4* U B2766 -886.158-119.015 111.674 1.00857.06 O ATOM 58317 C3* U B2766 -888.276-119.408 112.543 1.00857.06 C ATOM 58318 O3* U B2766 -889.021-119.782 113.695 1.00857.06 O ATOM 58319 C2* U B2766 -888.133-117.898 112.396 1.00857.06 C ATOM 58320 O2* U B2766 -887.943-117.252 113.641 1.00857.06 O ATOM 58321 C1* U B2766 -886.859-117.788 111.558 1.00857.06 C ATOM 58322 N1 U B2766 -887.137-117.556 110.134 1.00857.06 N ATOM 58323 C2 U B2766 -887.238-116.249 109.708 1.00857.06 C ATOM 58324 O2 U B2766 -887.093-115.306 110.449 1.00857.06 O ATOM 58325 N3 U B2766 -887.511-116.090 108.373 1.00857.06 N ATOM 58326 C4 U B2766 -887.692-117.087 107.439 1.00857.06 C ATOM 58327 O4 U B2766 -887.938-116.783 106.269 1.00857.06 O ATOM 58328 C5 U B2766 -887.566-118.415 107.958 1.00857.06 C ATOM 58329 C6 U B2766 -887.298-118.598 109.254 1.00857.06 C ATOM 58330 P C B2767 -890.615-119.939 113.595 1.00857.06 P ATOM 58331 O1P C B2767 -891.041-120.911 114.632 1.00857.06 O ATOM 58332 O2P C B2767 -890.971-120.182 112.170 1.00857.06 O ATOM 58333 O5* C B2767 -891.164-118.499 114.003 1.00857.06 O ATOM 58334 C5* C B2767 -891.076-118.050 115.351 1.00857.06 C ATOM 58335 C4* C B2767 -891.653-116.661 115.474 1.00857.06 C ATOM 58336 O4* C B2767 -891.023-115.794 114.498 1.00857.06 O ATOM 58337 C3* C B2767 -893.147-116.557 115.197 1.00857.06 C ATOM 58338 O3* C B2767 -893.924-116.810 116.366 1.00857.06 O ATOM 58339 C2* C B2767 -893.302-115.124 114.707 1.00857.06 C ATOM 58340 O2* C B2767 -893.390-114.193 115.770 1.00857.06 O ATOM 58341 C1* C B2767 -891.987-114.910 113.958 1.00857.06 C ATOM 58342 N1 C B2767 -892.092-115.155 112.511 1.00857.06 N ATOM 58343 C2 C B2767 -892.133-114.061 111.651 1.00857.06 C ATOM 58344 O2 C B2767 -892.091-112.921 112.134 1.00857.06 O ATOM 58345 N3 C B2767 -892.214-114.263 110.315 1.00857.06 N ATOM 58346 C4 C B2767 -892.254-115.505 109.834 1.00857.06 C ATOM 58347 N4 C B2767 -892.323-115.656 108.506 1.00857.06 N ATOM 58348 C5 C B2767 -892.225-116.645 110.688 1.00857.06 C ATOM 58349 C6 C B2767 -892.143-116.427 112.010 1.00857.06 C ATOM 58350 P C B2768 -895.447-117.301 116.219 1.00857.06 P ATOM 58351 O1P C B2768 -895.942-117.645 117.575 1.00857.06 O ATOM 58352 O2P C B2768 -895.496-118.316 115.136 1.00857.06 O ATOM 58353 O5* C B2768 -896.223-116.005 115.713 1.00857.06 O ATOM 58354 C5* C B2768 -896.421-114.881 116.570 1.00857.06 C ATOM 58355 C4* C B2768 -897.298-113.861 115.881 1.00857.06 C ATOM 58356 O4* C B2768 -896.672-113.471 114.634 1.00857.06 O ATOM 58357 C3* C B2768 -898.694-114.279 115.466 1.00857.06 C ATOM 58358 O3* C B2768 -899.578-114.159 116.577 1.00857.06 O ATOM 58359 C2* C B2768 -899.033-113.304 114.344 1.00857.06 C ATOM 58360 O2* C B2768 -899.551-112.080 114.819 1.00857.06 O ATOM 58361 C1* C B2768 -897.660-113.074 113.702 1.00857.06 C ATOM 58362 N1 C B2768 -897.443-113.847 112.470 1.00857.06 N ATOM 58363 C2 C B2768 -897.641-113.228 111.231 1.00857.06 C ATOM 58364 O2 C B2768 -898.023-112.050 111.198 1.00857.06 O ATOM 58365 N3 C B2768 -897.413-113.936 110.099 1.00857.06 N ATOM 58366 C4 C B2768 -897.022-115.209 110.175 1.00857.06 C ATOM 58367 N4 C B2768 -896.816-115.870 109.035 1.00857.06 N ATOM 58368 C5 C B2768 -896.825-115.862 111.421 1.00857.06 C ATOM 58369 C6 C B2768 -897.046-115.153 112.534 1.00857.06 C ATOM 58370 P C B2769 -900.824-115.169 116.717 1.00857.06 P ATOM 58371 O1P C B2769 -901.241-115.168 118.142 1.00857.06 O ATOM 58372 O2P C B2769 -900.456-116.447 116.059 1.00857.06 O ATOM 58373 O5* C B2769 -901.972-114.479 115.861 1.00857.06 O ATOM 58374 C5* C B2769 -903.151-115.194 115.503 1.00857.06 C ATOM 58375 C4* C B2769 -903.664-114.708 114.168 1.00857.06 C ATOM 58376 O4* C B2769 -902.574-114.661 113.221 1.00857.06 O ATOM 58377 C3* C B2769 -904.761-115.539 113.496 1.00857.06 C ATOM 58378 O3* C B2769 -906.064-115.158 113.928 1.00857.06 O ATOM 58379 C2* C B2769 -904.572-115.195 112.018 1.00857.06 C ATOM 58380 O2* C B2769 -905.258-114.017 111.658 1.00857.06 O ATOM 58381 C1* C B2769 -903.061-114.942 111.928 1.00857.06 C ATOM 58382 N1 C B2769 -902.260-116.032 111.349 1.00857.06 N ATOM 58383 C2 C B2769 -901.525-115.787 110.184 1.00857.06 C ATOM 58384 O2 C B2769 -901.601-114.667 109.655 1.00857.06 O ATOM 58385 N3 C B2769 -900.760-116.771 109.663 1.00857.06 N ATOM 58386 C4 C B2769 -900.710-117.963 110.259 1.00857.06 C ATOM 58387 N4 C B2769 -899.929-118.901 109.720 1.00857.06 N ATOM 58388 C5 C B2769 -901.454-118.248 111.440 1.00857.06 C ATOM 58389 C6 C B2769 -902.210-117.263 111.947 1.00857.06 C ATOM 58390 P A B2770 -907.208-116.273 114.155 1.00857.06 P ATOM 58391 O1P A B2770 -908.110-115.760 115.217 1.00857.06 O ATOM 58392 O2P A B2770 -906.537-117.585 114.339 1.00857.06 O ATOM 58393 O5* A B2770 -908.030-116.318 112.793 1.00857.06 O ATOM 58394 C5* A B2770 -909.407-116.682 112.769 1.00857.06 C ATOM 58395 C4* A B2770 -909.697-117.498 111.536 1.00857.06 C ATOM 58396 O4* A B2770 -908.721-118.562 111.443 1.00857.06 O ATOM 58397 C3* A B2770 -911.037-118.189 111.488 1.00857.06 C ATOM 58398 O3* A B2770 -911.981-117.283 110.927 1.00857.06 O ATOM 58399 C2* A B2770 -910.785-119.393 110.586 1.00857.06 C ATOM 58400 O2* A B2770 -910.911-119.077 109.214 1.00857.06 O ATOM 58401 C1* A B2770 -909.319-119.719 110.892 1.00857.06 C ATOM 58402 N9 A B2770 -909.130-120.815 111.844 1.00857.06 N ATOM 58403 C8 A B2770 -910.103-121.595 112.416 1.00857.06 C ATOM 58404 N7 A B2770 -909.636-122.494 113.252 1.00857.06 N ATOM 58405 C5 A B2770 -908.264-122.294 113.220 1.00857.06 C ATOM 58406 C6 A B2770 -907.200-122.929 113.888 1.00857.06 C ATOM 58407 N6 A B2770 -907.363-123.932 114.754 1.00857.06 N ATOM 58408 N1 A B2770 -905.950-122.490 113.633 1.00857.06 N ATOM 58409 C2 A B2770 -905.788-121.483 112.768 1.00857.06 C ATOM 58410 N3 A B2770 -906.703-120.806 112.080 1.00857.06 N ATOM 58411 C4 A B2770 -907.936-121.265 112.355 1.00857.06 C ATOM 58412 P C B2771 -913.555-117.549 111.099 1.00857.06 P ATOM 58413 O1P C B2771 -913.732-118.948 111.563 1.00857.06 O ATOM 58414 O2P C B2771 -914.229-117.102 109.854 1.00857.06 O ATOM 58415 O5* C B2771 -914.000-116.571 112.275 1.00857.06 O ATOM 58416 C5* C B2771 -914.693-115.360 111.986 1.00857.06 C ATOM 58417 C4* C B2771 -914.314-114.283 112.976 1.00857.06 C ATOM 58418 O4* C B2771 -912.884-114.029 112.895 1.00857.06 O ATOM 58419 C3* C B2771 -914.868-112.894 112.744 1.00857.06 C ATOM 58420 O3* C B2771 -916.218-112.771 113.169 1.00857.06 O ATOM 58421 C2* C B2771 -913.927-111.979 113.517 1.00857.06 C ATOM 58422 O2* C B2771 -914.277-111.857 114.879 1.00857.06 O ATOM 58423 C1* C B2771 -912.598-112.728 113.389 1.00857.06 C ATOM 58424 N1 C B2771 -911.686-112.069 112.443 1.00857.06 N ATOM 58425 C2 C B2771 -910.398-111.712 112.878 1.00857.06 C ATOM 58426 O2 C B2771 -910.063-111.975 114.041 1.00857.06 O ATOM 58427 N3 C B2771 -909.557-111.091 112.016 1.00857.06 N ATOM 58428 C4 C B2771 -909.959-110.824 110.771 1.00857.06 C ATOM 58429 N4 C B2771 -909.099-110.203 109.957 1.00857.06 N ATOM 58430 C5 C B2771 -911.256-111.181 110.301 1.00857.06 C ATOM 58431 C6 C B2771 -912.078-111.797 111.162 1.00857.06 C ATOM 58432 P U B2772 -917.262-111.968 112.247 1.00857.06 P ATOM 58433 O1P U B2772 -918.478-112.810 112.114 1.00857.06 O ATOM 58434 O2P U B2772 -916.549-111.508 111.028 1.00857.06 O ATOM 58435 O5* U B2772 -917.635-110.690 113.123 1.00857.06 O ATOM 58436 C5* U B2772 -916.684-110.131 114.021 1.00857.06 C ATOM 58437 C4* U B2772 -916.040-108.903 113.421 1.00857.06 C ATOM 58438 O4* U B2772 -915.810-109.091 112.002 1.00857.06 O ATOM 58439 C3* U B2772 -916.798-107.582 113.506 1.00857.06 C ATOM 58440 O3* U B2772 -916.648-106.964 114.780 1.00857.06 O ATOM 58441 C2* U B2772 -916.142-106.763 112.401 1.00857.06 C ATOM 58442 O2* U B2772 -914.930-106.163 112.813 1.00857.06 O ATOM 58443 C1* U B2772 -915.836-107.830 111.350 1.00857.06 C ATOM 58444 N1 U B2772 -916.835-107.863 110.273 1.00857.06 N ATOM 58445 C2 U B2772 -916.866-106.782 109.415 1.00857.06 C ATOM 58446 O2 U B2772 -916.107-105.831 109.521 1.00857.06 O ATOM 58447 N3 U B2772 -917.818-106.849 108.427 1.00857.06 N ATOM 58448 C4 U B2772 -918.720-107.870 108.219 1.00857.06 C ATOM 58449 O4 U B2772 -919.518-107.787 107.280 1.00857.06 O ATOM 58450 C5 U B2772 -918.626-108.954 109.149 1.00857.06 C ATOM 58451 C6 U B2772 -917.707-108.916 110.122 1.00857.06 C ATOM 58452 P G B2773 -917.620-105.752 115.189 1.00857.06 P ATOM 58453 O1P G B2773 -917.149-105.211 116.488 1.00857.06 O ATOM 58454 O2P G B2773 -919.023-106.220 115.055 1.00857.06 O ATOM 58455 O5* G B2773 -917.353-104.651 114.064 1.00857.06 O ATOM 58456 C5* G B2773 -917.761-103.300 114.257 1.00857.06 C ATOM 58457 C4* G B2773 -917.181-102.413 113.178 1.00857.06 C ATOM 58458 O4* G B2773 -917.800-102.709 111.904 1.00857.06 O ATOM 58459 C3* G B2773 -917.374-100.894 113.299 1.00857.06 C ATOM 58460 O3* G B2773 -916.399-100.356 114.192 1.00857.06 O ATOM 58461 C2* G B2773 -917.204-100.389 111.868 1.00857.06 C ATOM 58462 O2* G B2773 -915.864-100.082 111.553 1.00857.06 O ATOM 58463 C1* G B2773 -917.648-101.602 111.038 1.00857.06 C ATOM 58464 N9 G B2773 -918.873-101.448 110.253 1.00857.06 N ATOM 58465 C8 G B2773 -920.046-102.156 110.394 1.00857.06 C ATOM 58466 N7 G B2773 -920.950-101.828 109.515 1.00857.06 N ATOM 58467 C5 G B2773 -920.346-100.837 108.752 1.00857.06 C ATOM 58468 C6 G B2773 -920.841-100.102 107.637 1.00857.06 C ATOM 58469 O6 G B2773 -921.942-100.188 107.077 1.00857.06 O ATOM 58470 N1 G B2773 -919.897 -99.194 107.169 1.00857.06 N ATOM 58471 C2 G B2773 -918.644 -99.013 107.696 1.00857.06 C ATOM 58472 N2 G B2773 -917.883 -98.080 107.103 1.00857.06 N ATOM 58473 N3 G B2773 -918.170 -99.692 108.728 1.00857.06 N ATOM 58474 C4 G B2773 -919.068-100.584 109.201 1.00857.06 C ATOM 58475 P U B2774 -916.250 -98.764 114.347 1.00857.06 P ATOM 58476 O1P U B2774 -915.618 -98.507 115.668 1.00857.06 O ATOM 58477 O2P U B2774 -917.555 -98.140 114.026 1.00857.06 O ATOM 58478 O5* U B2774 -915.207 -98.362 113.215 1.00857.06 O ATOM 58479 C5* U B2774 -914.527 -97.112 113.248 1.00857.06 C ATOM 58480 C4* U B2774 -915.375 -96.057 112.582 1.00857.06 C ATOM 58481 O4* U B2774 -914.505 -94.961 112.197 1.00857.06 O ATOM 58482 C3* U B2774 -916.006 -96.462 111.267 1.00857.06 C ATOM 58483 O3* U B2774 -917.228 -97.162 111.484 1.00857.06 O ATOM 58484 C2* U B2774 -916.222 -95.131 110.557 1.00857.06 C ATOM 58485 O2* U B2774 -917.419 -94.493 110.956 1.00857.06 O ATOM 58486 C1* U B2774 -915.021 -94.320 111.048 1.00857.06 C ATOM 58487 N1 U B2774 -913.937 -94.231 110.057 1.00857.06 N ATOM 58488 C2 U B2774 -913.957 -93.174 109.172 1.00857.06 C ATOM 58489 O2 U B2774 -914.825 -92.317 109.178 1.00857.06 O ATOM 58490 N3 U B2774 -912.915 -93.150 108.274 1.00857.06 N ATOM 58491 C4 U B2774 -911.880 -94.058 108.178 1.00857.06 C ATOM 58492 O4 U B2774 -911.020 -93.906 107.310 1.00857.06 O ATOM 58493 C5 U B2774 -911.932 -95.123 109.132 1.00857.06 C ATOM 58494 C6 U B2774 -912.932 -95.169 110.016 1.00857.06 C ATOM 58495 P U B2778 -912.985-102.461 92.529 1.00858.68 P ATOM 58496 O1P U B2778 -913.957-103.207 93.367 1.00858.68 O ATOM 58497 O2P U B2778 -913.481-101.525 91.487 1.00858.68 O ATOM 58498 O5* U B2778 -912.006-101.659 93.496 1.00858.68 O ATOM 58499 C5* U B2778 -912.392-101.342 94.830 1.00858.68 C ATOM 58500 C4* U B2778 -912.888 -99.915 94.902 1.00858.68 C ATOM 58501 O4* U B2778 -913.996 -99.757 93.976 1.00858.68 O ATOM 58502 C3* U B2778 -913.451 -99.499 96.245 1.00858.68 C ATOM 58503 O3* U B2778 -912.411 -99.038 97.096 1.00858.68 O ATOM 58504 C2* U B2778 -914.434 -98.396 95.878 1.00858.68 C ATOM 58505 O2* U B2778 -913.805 -97.145 95.703 1.00858.68 O ATOM 58506 C1* U B2778 -914.966 -98.892 94.532 1.00858.68 C ATOM 58507 N1 U B2778 -916.219 -99.649 94.674 1.00858.68 N ATOM 58508 C2 U B2778 -917.406 -98.939 94.711 1.00858.68 C ATOM 58509 O2 U B2778 -917.451 -97.725 94.617 1.00858.68 O ATOM 58510 N3 U B2778 -918.531 -99.706 94.866 1.00858.68 N ATOM 58511 C4 U B2778 -918.594-101.081 94.982 1.00858.68 C ATOM 58512 O4 U B2778 -919.687-101.625 95.134 1.00858.68 O ATOM 58513 C5 U B2778 -917.326-101.740 94.928 1.00858.68 C ATOM 58514 C6 U B2778 -916.211-101.022 94.779 1.00858.68 C ATOM 58515 P C B2779 -912.249 -99.673 98.566 1.00858.68 P ATOM 58516 O1P C B2779 -910.868 -99.391 99.030 1.00858.68 O ATOM 58517 O2P C B2779 -912.737-101.072 98.524 1.00858.68 O ATOM 58518 O5* C B2779 -913.253 -98.823 99.461 1.00858.68 O ATOM 58519 C5* C B2779 -913.429 -99.125 100.843 1.00858.68 C ATOM 58520 C4* C B2779 -914.029 -97.943 101.569 1.00858.68 C ATOM 58521 O4* C B2779 -915.467 -97.936 101.377 1.00858.68 O ATOM 58522 C3* C B2779 -913.927 -98.039 103.078 1.00858.68 C ATOM 58523 O3* C B2779 -912.650 -97.542 103.462 1.00858.68 O ATOM 58524 C2* C B2779 -915.062 -97.158 103.591 1.00858.68 C ATOM 58525 O2* C B2779 -914.681 -95.803 103.727 1.00858.68 O ATOM 58526 C1* C B2779 -916.092 -97.285 102.468 1.00858.68 C ATOM 58527 N1 C B2779 -917.278 -98.062 102.859 1.00858.68 N ATOM 58528 C2 C B2779 -918.035 -97.638 103.961 1.00858.68 C ATOM 58529 O2 C B2779 -917.683 -96.618 104.573 1.00858.68 O ATOM 58530 N3 C B2779 -919.126 -98.347 104.325 1.00858.68 N ATOM 58531 C4 C B2779 -919.473 -99.439 103.644 1.00858.68 C ATOM 58532 N4 C B2779 -920.558-100.108 104.043 1.00858.68 N ATOM 58533 C5 C B2779 -918.724 -99.897 102.519 1.00858.68 C ATOM 58534 C6 C B2779 -917.643 -99.185 102.167 1.00858.68 C ATOM 58535 P A B2780 -911.487 -98.577 103.855 1.00858.68 P ATOM 58536 O1P A B2780 -910.198 -98.011 103.377 1.00858.68 O ATOM 58537 O2P A B2780 -911.895 -99.934 103.418 1.00858.68 O ATOM 58538 O5* A B2780 -911.478 -98.548 105.448 1.00858.68 O ATOM 58539 C5* A B2780 -911.450 -99.758 106.199 1.00858.68 C ATOM 58540 C4* A B2780 -912.677 -99.860 107.068 1.00858.68 C ATOM 58541 O4* A B2780 -913.824-100.228 106.260 1.00858.68 O ATOM 58542 C3* A B2780 -912.681-100.895 108.180 1.00858.68 C ATOM 58543 O3* A B2780 -911.934-100.476 109.311 1.00858.68 O ATOM 58544 C2* A B2780 -914.168-101.071 108.457 1.00858.68 C ATOM 58545 O2* A B2780 -914.699-100.047 109.275 1.00858.68 O ATOM 58546 C1* A B2780 -914.748-100.963 107.045 1.00858.68 C ATOM 58547 N9 A B2780 -914.896-102.284 106.433 1.00858.68 N ATOM 58548 C8 A B2780 -913.985-102.929 105.637 1.00858.68 C ATOM 58549 N7 A B2780 -914.371-104.118 105.245 1.00858.68 N ATOM 58550 C5 A B2780 -915.626-104.267 105.821 1.00858.68 C ATOM 58551 C6 A B2780 -916.560-105.314 105.788 1.00858.68 C ATOM 58552 N6 A B2780 -916.368-106.458 105.125 1.00858.68 N ATOM 58553 N1 A B2780 -917.716-105.147 106.467 1.00858.68 N ATOM 58554 C2 A B2780 -917.907-103.998 107.130 1.00858.68 C ATOM 58555 N3 A B2780 -917.103-102.942 107.238 1.00858.68 N ATOM 58556 C4 A B2780 -915.965-103.142 106.551 1.00858.68 C ATOM 58557 P G B2781 -911.487-101.571 110.405 1.00858.68 P ATOM 58558 O1P G B2781 -910.014-101.470 110.576 1.00858.68 O ATOM 58559 O2P G B2781 -912.099-102.871 110.025 1.00858.68 O ATOM 58560 O5* G B2781 -912.184-101.069 111.748 1.00858.68 O ATOM 58561 C5* G B2781 -911.485-101.116 112.981 1.00858.68 C ATOM 58562 C4* G B2781 -912.078-102.173 113.885 1.00858.68 C ATOM 58563 O4* G B2781 -912.222-103.423 113.163 1.00858.68 O ATOM 58564 C3* G B2781 -911.245-102.494 115.117 1.00858.68 C ATOM 58565 O3* G B2781 -911.539-101.625 116.209 1.00858.68 O ATOM 58566 C2* G B2781 -911.634-103.941 115.413 1.00858.68 C ATOM 58567 O2* G B2781 -912.819-104.044 116.172 1.00858.68 O ATOM 58568 C1* G B2781 -911.868-104.503 114.008 1.00858.68 C ATOM 58569 N9 G B2781 -910.697-105.176 113.452 1.00858.68 N ATOM 58570 C8 G B2781 -909.596-104.587 112.879 1.00858.68 C ATOM 58571 N7 G B2781 -908.709-105.453 112.468 1.00858.68 N ATOM 58572 C5 G B2781 -909.256-106.688 112.790 1.00858.68 C ATOM 58573 C6 G B2781 -908.747-108.003 112.588 1.00858.68 C ATOM 58574 O6 G B2781 -907.681-108.347 112.063 1.00858.68 O ATOM 58575 N1 G B2781 -909.627-108.968 113.064 1.00858.68 N ATOM 58576 C2 G B2781 -910.837-108.710 113.660 1.00858.68 C ATOM 58577 N2 G B2781 -911.537-109.784 114.054 1.00858.68 N ATOM 58578 N3 G B2781 -911.320-107.493 113.855 1.00858.68 N ATOM 58579 C4 G B2781 -910.483-106.536 113.399 1.00858.68 C ATOM 58580 P G B2782 -910.452-101.406 117.375 1.00858.68 P ATOM 58581 O1P G B2782 -910.522 -99.983 117.793 1.00858.68 O ATOM 58582 O2P G B2782 -909.155-101.970 116.922 1.00858.68 O ATOM 58583 O5* G B2782 -910.997-102.300 118.574 1.00858.68 O ATOM 58584 C5* G B2782 -910.103-102.943 119.477 1.00858.68 C ATOM 58585 C4* G B2782 -910.812-104.061 120.202 1.00858.68 C ATOM 58586 O4* G B2782 -911.576-104.843 119.256 1.00858.68 O ATOM 58587 C3* G B2782 -909.926-105.076 120.966 1.00858.68 C ATOM 58588 O3* G B2782 -909.531-104.709 122.279 1.00858.68 O ATOM 58589 C2* G B2782 -910.799-106.330 120.956 1.00858.68 C ATOM 58590 O2* G B2782 -911.757-106.329 121.994 1.00858.68 O ATOM 58591 C1* G B2782 -911.523-106.211 119.611 1.00858.68 C ATOM 58592 N9 G B2782 -910.942-106.950 118.495 1.00858.68 N ATOM 58593 C8 G B2782 -910.588-106.436 117.268 1.00858.68 C ATOM 58594 N7 G B2782 -910.126-107.338 116.448 1.00858.68 N ATOM 58595 C5 G B2782 -910.172-108.519 117.175 1.00858.68 C ATOM 58596 C6 G B2782 -909.798-109.838 116.809 1.00858.68 C ATOM 58597 O6 G B2782 -909.348-110.239 115.727 1.00858.68 O ATOM 58598 N1 G B2782 -910.001-110.733 117.852 1.00858.68 N ATOM 58599 C2 G B2782 -910.496-110.407 119.090 1.00858.68 C ATOM 58600 N2 G B2782 -910.607-111.413 119.968 1.00858.68 N ATOM 58601 N3 G B2782 -910.852-109.182 119.442 1.00858.68 N ATOM 58602 C4 G B2782 -910.662-108.293 118.443 1.00858.68 C ATOM 58603 P U B2783 -908.473-105.610 123.079 1.00858.68 P ATOM 58604 O1P U B2783 -909.028-106.985 123.130 1.00858.68 O ATOM 58605 O2P U B2783 -908.148-104.906 124.347 1.00858.68 O ATOM 58606 O5* U B2783 -907.168-105.594 122.166 1.00858.68 O ATOM 58607 C5* U B2783 -907.086-106.350 120.961 1.00858.68 C ATOM 58608 C4* U B2783 -906.206-107.557 121.167 1.00858.68 C ATOM 58609 O4* U B2783 -906.818-108.692 120.501 1.00858.68 O ATOM 58610 C3* U B2783 -904.815-107.478 120.590 1.00858.68 C ATOM 58611 O3* U B2783 -903.913-106.881 121.520 1.00858.68 O ATOM 58612 C2* U B2783 -904.461-108.939 120.345 1.00858.68 C ATOM 58613 O2* U B2783 -904.008-109.574 121.524 1.00858.68 O ATOM 58614 C1* U B2783 -905.816-109.534 119.961 1.00858.68 C ATOM 58615 N1 U B2783 -906.011-109.621 118.505 1.00858.68 N ATOM 58616 C2 U B2783 -905.793-110.845 117.906 1.00858.68 C ATOM 58617 O2 U B2783 -905.458-111.838 118.530 1.00858.68 O ATOM 58618 N3 U B2783 -905.987-110.865 116.544 1.00858.68 N ATOM 58619 C4 U B2783 -906.365-109.810 115.745 1.00858.68 C ATOM 58620 O4 U B2783 -906.503-109.986 114.532 1.00858.68 O ATOM 58621 C5 U B2783 -906.569-108.575 116.440 1.00858.68 C ATOM 58622 C6 U B2783 -906.391-108.525 117.765 1.00858.68 C ATOM 58623 P A B2784 -902.483-106.345 121.017 1.00858.68 P ATOM 58624 O1P A B2784 -901.996-105.377 122.035 1.00858.68 O ATOM 58625 O2P A B2784 -902.614-105.917 119.602 1.00858.68 O ATOM 58626 O5* A B2784 -901.544-107.632 121.069 1.00858.68 O ATOM 58627 C5* A B2784 -900.124-107.507 121.167 1.00858.68 C ATOM 58628 C4* A B2784 -899.457-108.715 120.553 1.00858.68 C ATOM 58629 O4* A B2784 -899.886-108.885 119.180 1.00858.68 O ATOM 58630 C3* A B2784 -897.941-108.715 120.439 1.00858.68 C ATOM 58631 O3* A B2784 -897.298-109.035 121.665 1.00858.68 O ATOM 58632 C2* A B2784 -897.679-109.763 119.362 1.00858.68 C ATOM 58633 O2* A B2784 -897.639-111.078 119.880 1.00858.68 O ATOM 58634 C1* A B2784 -898.908-109.610 118.462 1.00858.68 C ATOM 58635 N9 A B2784 -898.632-108.907 117.209 1.00858.68 N ATOM 58636 C8 A B2784 -899.026-109.257 115.941 1.00858.68 C ATOM 58637 N7 A B2784 -898.631-108.420 115.014 1.00858.68 N ATOM 58638 C5 A B2784 -897.932-107.452 115.716 1.00858.68 C ATOM 58639 C6 A B2784 -897.262-106.286 115.308 1.00858.68 C ATOM 58640 N6 A B2784 -897.190-105.878 114.038 1.00858.68 N ATOM 58641 N1 A B2784 -896.660-105.539 116.259 1.00858.68 N ATOM 58642 C2 A B2784 -896.737-105.947 117.534 1.00858.68 C ATOM 58643 N3 A B2784 -897.336-107.021 118.042 1.00858.68 N ATOM 58644 C4 A B2784 -897.922-107.740 117.067 1.00858.68 C ATOM 58645 P A B2785 -895.763-108.628 121.886 1.00858.68 P ATOM 58646 O1P A B2785 -895.456-108.810 123.325 1.00858.68 O ATOM 58647 O2P A B2785 -895.536-107.302 121.248 1.00858.68 O ATOM 58648 O5* A B2785 -894.953-109.725 121.064 1.00858.68 O ATOM 58649 C5* A B2785 -894.228-110.743 121.740 1.00858.68 C ATOM 58650 C4* A B2785 -893.425-111.569 120.763 1.00858.68 C ATOM 58651 O4* A B2785 -894.282-112.066 119.698 1.00858.68 O ATOM 58652 C3* A B2785 -892.280-110.888 120.056 1.00858.68 C ATOM 58653 O3* A B2785 -891.130-110.920 120.891 1.00858.68 O ATOM 58654 C2* A B2785 -892.104-111.733 118.803 1.00858.68 C ATOM 58655 O2* A B2785 -891.337-112.898 119.032 1.00858.68 O ATOM 58656 C1* A B2785 -893.548-112.115 118.484 1.00858.68 C ATOM 58657 N9 A B2785 -894.122-111.151 117.546 1.00858.68 N ATOM 58658 C8 A B2785 -894.767-109.973 117.831 1.00858.68 C ATOM 58659 N7 A B2785 -895.127-109.295 116.768 1.00858.68 N ATOM 58660 C5 A B2785 -894.699-110.087 115.708 1.00858.68 C ATOM 58661 C6 A B2785 -894.775-109.920 114.314 1.00858.68 C ATOM 58662 N6 A B2785 -895.323-108.858 113.723 1.00858.68 N ATOM 58663 N1 A B2785 -894.255-110.898 113.540 1.00858.68 N ATOM 58664 C2 A B2785 -893.697-111.960 114.135 1.00858.68 C ATOM 58665 N3 A B2785 -893.562-112.224 115.430 1.00858.68 N ATOM 58666 C4 A B2785 -894.091-111.238 116.174 1.00858.68 C ATOM 58667 P G B2786 -890.023-109.762 120.748 1.00858.68 P ATOM 58668 O1P G B2786 -888.929-110.046 121.709 1.00858.68 O ATOM 58669 O2P G B2786 -890.730-108.456 120.804 1.00858.68 O ATOM 58670 O5* G B2786 -889.457-109.947 119.272 1.00858.68 O ATOM 58671 C5* G B2786 -888.110-110.359 119.051 1.00858.68 C ATOM 58672 C4* G B2786 -887.616-109.854 117.716 1.00858.68 C ATOM 58673 O4* G B2786 -888.530-110.290 116.676 1.00858.68 O ATOM 58674 C3* G B2786 -887.507-108.343 117.561 1.00858.68 C ATOM 58675 O3* G B2786 -886.222-107.904 117.993 1.00858.68 O ATOM 58676 C2* G B2786 -887.723-108.132 116.069 1.00858.68 C ATOM 58677 O2* G B2786 -886.539-108.304 115.317 1.00858.68 O ATOM 58678 C1* G B2786 -888.708-109.252 115.731 1.00858.68 C ATOM 58679 N9 G B2786 -890.099-108.816 115.790 1.00858.68 N ATOM 58680 C8 G B2786 -891.088-109.280 116.627 1.00858.68 C ATOM 58681 N7 G B2786 -892.236-108.689 116.444 1.00858.68 N ATOM 58682 C5 G B2786 -891.991-107.776 115.426 1.00858.68 C ATOM 58683 C6 G B2786 -892.862-106.844 114.794 1.00858.68 C ATOM 58684 O6 G B2786 -894.057-106.624 115.015 1.00858.68 O ATOM 58685 N1 G B2786 -892.194-106.117 113.808 1.00858.68 N ATOM 58686 C2 G B2786 -890.872-106.269 113.472 1.00858.68 C ATOM 58687 N2 G B2786 -890.417-105.476 112.495 1.00858.68 N ATOM 58688 N3 G B2786 -890.058-107.130 114.052 1.00858.68 N ATOM 58689 C4 G B2786 -890.680-107.846 115.009 1.00858.68 C ATOM 58690 P A B2787 -885.882-106.333 118.014 1.00858.68 P ATOM 58691 O1P A B2787 -884.522-106.195 118.599 1.00858.68 O ATOM 58692 O2P A B2787 -887.022-105.613 118.631 1.00858.68 O ATOM 58693 O5* A B2787 -885.798-105.924 116.477 1.00858.68 O ATOM 58694 C5* A B2787 -884.643-105.261 115.966 1.00858.68 C ATOM 58695 C4* A B2787 -884.948-103.814 115.657 1.00858.68 C ATOM 58696 O4* A B2787 -886.255-103.714 115.029 1.00858.68 O ATOM 58697 C3* A B2787 -885.020-102.926 116.892 1.00858.68 C ATOM 58698 O3* A B2787 -883.738-102.401 117.221 1.00858.68 O ATOM 58699 C2* A B2787 -885.987-101.831 116.462 1.00858.68 C ATOM 58700 O2* A B2787 -885.357-100.821 115.698 1.00858.68 O ATOM 58701 C1* A B2787 -886.952-102.600 115.558 1.00858.68 C ATOM 58702 N9 A B2787 -888.127-103.072 116.283 1.00858.68 N ATOM 58703 C8 A B2787 -888.623-104.350 116.380 1.00858.68 C ATOM 58704 N7 A B2787 -889.696-104.445 117.123 1.00858.68 N ATOM 58705 C5 A B2787 -889.928-103.141 117.546 1.00858.68 C ATOM 58706 C6 A B2787 -890.920-102.572 118.367 1.00858.68 C ATOM 58707 N6 A B2787 -891.905-103.269 118.937 1.00858.68 N ATOM 58708 N1 A B2787 -890.862-101.240 118.589 1.00858.68 N ATOM 58709 C2 A B2787 -889.870-100.538 118.019 1.00858.68 C ATOM 58710 N3 A B2787 -888.882-100.961 117.232 1.00858.68 N ATOM 58711 C4 A B2787 -888.969-102.286 117.031 1.00858.68 C ATOM 58712 P C B2788 -883.220-102.444 118.745 1.00858.68 P ATOM 58713 O1P C B2788 -881.740-102.339 118.712 1.00858.68 O ATOM 58714 O2P C B2788 -883.861-103.595 119.427 1.00858.68 O ATOM 58715 O5* C B2788 -883.796-101.100 119.384 1.00858.68 O ATOM 58716 C5* C B2788 -883.674 -99.862 118.695 1.00858.68 C ATOM 58717 C4* C B2788 -884.854 -98.966 118.993 1.00858.68 C ATOM 58718 O4* C B2788 -886.099 -99.644 118.681 1.00858.68 O ATOM 58719 C3* C B2788 -884.971 -98.520 120.445 1.00858.68 C ATOM 58720 O3* C B2788 -884.205 -97.347 120.683 1.00858.68 O ATOM 58721 C2* C B2788 -886.471 -98.263 120.595 1.00858.68 C ATOM 58722 O2* C B2788 -886.847 -96.980 120.140 1.00858.68 O ATOM 58723 C1* C B2788 -887.074 -99.311 119.657 1.00858.68 C ATOM 58724 N1 C B2788 -887.526-100.544 120.328 1.00858.68 N ATOM 58725 C2 C B2788 -888.583-100.464 121.251 1.00858.68 C ATOM 58726 O2 C B2788 -889.093 -99.357 121.491 1.00858.68 O ATOM 58727 N3 C B2788 -889.015-101.592 121.858 1.00858.68 N ATOM 58728 C4 C B2788 -888.437-102.764 121.579 1.00858.68 C ATOM 58729 N4 C B2788 -888.900-103.852 122.194 1.00858.68 N ATOM 58730 C5 C B2788 -887.359-102.871 120.652 1.00858.68 C ATOM 58731 C6 C B2788 -886.937-101.747 120.055 1.00858.68 C ATOM 58732 P U B2789 -883.941 -96.861 122.195 1.00858.68 P ATOM 58733 O1P U B2789 -883.025 -95.694 122.131 1.00858.68 O ATOM 58734 O2P U B2789 -883.570 -98.045 123.010 1.00858.68 O ATOM 58735 O5* U B2789 -885.369 -96.349 122.673 1.00858.68 O ATOM 58736 C5* U B2789 -885.878 -95.099 122.222 1.00858.68 C ATOM 58737 C4* U B2789 -886.319 -94.263 123.397 1.00858.68 C ATOM 58738 O4* U B2789 -887.402 -94.916 124.105 1.00858.68 O ATOM 58739 C3* U B2789 -885.229 -94.042 124.427 1.00858.68 C ATOM 58740 O3* U B2789 -884.461 -92.904 124.057 1.00858.68 O ATOM 58741 C2* U B2789 -886.018 -93.819 125.716 1.00858.68 C ATOM 58742 O2* U B2789 -886.433 -92.477 125.873 1.00858.68 O ATOM 58743 C1* U B2789 -887.249 -94.701 125.498 1.00858.68 C ATOM 58744 N1 U B2789 -887.220 -96.008 126.181 1.00858.68 N ATOM 58745 C2 U B2789 -887.702 -96.058 127.480 1.00858.68 C ATOM 58746 O2 U B2789 -888.107 -95.078 128.074 1.00858.68 O ATOM 58747 N3 U B2789 -887.690 -97.304 128.055 1.00858.68 N ATOM 58748 C4 U B2789 -887.248 -98.480 127.484 1.00858.68 C ATOM 58749 O4 U B2789 -887.350 -99.534 128.119 1.00858.68 O ATOM 58750 C5 U B2789 -886.748 -98.344 126.148 1.00858.68 C ATOM 58751 C6 U B2789 -886.752 -97.138 125.556 1.00858.68 C ATOM 58752 P C B2790 -883.055 -92.629 124.783 1.00858.68 P ATOM 58753 O1P C B2790 -883.317 -91.762 125.956 1.00858.68 O ATOM 58754 O2P C B2790 -882.075 -92.194 123.753 1.00858.68 O ATOM 58755 O5* C B2790 -882.625 -94.068 125.310 1.00858.68 O ATOM 58756 C5* C B2790 -882.207 -94.249 126.659 1.00858.68 C ATOM 58757 C4* C B2790 -883.179 -95.142 127.390 1.00858.68 C ATOM 58758 O4* C B2790 -883.508 -96.297 126.581 1.00858.68 O ATOM 58759 C3* C B2790 -882.713 -95.702 128.729 1.00858.68 C ATOM 58760 O3* C B2790 -882.942 -94.776 129.788 1.00858.68 O ATOM 58761 C2* C B2790 -883.558 -96.965 128.878 1.00858.68 C ATOM 58762 O2* C B2790 -884.833 -96.693 129.435 1.00858.68 O ATOM 58763 C1* C B2790 -883.743 -97.412 127.422 1.00858.68 C ATOM 58764 N1 C B2790 -882.907 -98.539 126.962 1.00858.68 N ATOM 58765 C2 C B2790 -883.413 -99.843 127.047 1.00858.68 C ATOM 58766 O2 C B2790 -884.530-100.026 127.544 1.00858.68 O ATOM 58767 N3 C B2790 -882.670-100.876 126.589 1.00858.68 N ATOM 58768 C4 C B2790 -881.466-100.646 126.066 1.00858.68 C ATOM 58769 N4 C B2790 -880.777-101.696 125.609 1.00858.68 N ATOM 58770 C5 C B2790 -880.916 -99.334 125.984 1.00858.68 C ATOM 58771 C6 C B2790 -881.663 -98.319 126.440 1.00858.68 C ATOM 58772 P C B2791 -881.748 -94.385 130.785 1.00858.68 P ATOM 58773 O1P C B2791 -882.185 -93.178 131.537 1.00858.68 O ATOM 58774 O2P C B2791 -880.474 -94.351 130.021 1.00858.68 O ATOM 58775 O5* C B2791 -881.693 -95.601 131.805 1.00858.68 O ATOM 58776 C5* C B2791 -882.016 -95.404 133.176 1.00858.68 C ATOM 58777 C4* C B2791 -881.415 -96.497 134.021 1.00858.68 C ATOM 58778 O4* C B2791 -881.946 -97.778 133.603 1.00858.68 O ATOM 58779 C3* C B2791 -879.901 -96.660 133.995 1.00858.68 C ATOM 58780 O3* C B2791 -879.261 -95.782 134.908 1.00858.68 O ATOM 58781 C2* C B2791 -879.725 -98.119 134.414 1.00858.68 C ATOM 58782 O2* C B2791 -879.764 -98.288 135.817 1.00858.68 O ATOM 58783 C1* C B2791 -880.966 -98.777 133.810 1.00858.68 C ATOM 58784 N1 C B2791 -880.751 -99.504 132.548 1.00858.68 N ATOM 58785 C2 C B2791 -880.338-100.837 132.616 1.00858.68 C ATOM 58786 O2 C B2791 -880.158-101.352 133.730 1.00858.68 O ATOM 58787 N3 C B2791 -880.142-101.528 131.472 1.00858.68 N ATOM 58788 C4 C B2791 -880.344-100.937 130.293 1.00858.68 C ATOM 58789 N4 C B2791 -880.142-101.658 129.186 1.00858.68 N ATOM 58790 C5 C B2791 -880.764 -99.576 130.195 1.00858.68 C ATOM 58791 C6 C B2791 -880.955 -98.906 131.338 1.00858.68 C ATOM 58792 P C B2792 -877.706 -95.447 134.717 1.00858.68 P ATOM 58793 O1P C B2792 -877.295 -94.588 135.853 1.00858.68 O ATOM 58794 O2P C B2792 -877.504 -94.971 133.323 1.00858.68 O ATOM 58795 O5* C B2792 -876.998 -96.865 134.874 1.00858.68 O ATOM 58796 C5* C B2792 -876.692 -97.383 136.166 1.00858.68 C ATOM 58797 C4* C B2792 -875.858 -98.635 136.049 1.00858.68 C ATOM 58798 O4* C B2792 -876.581 -99.673 135.341 1.00858.68 O ATOM 58799 C3* C B2792 -874.552 -98.489 135.281 1.00858.68 C ATOM 58800 O3* C B2792 -873.523 -97.960 136.105 1.00858.68 O ATOM 58801 C2* C B2792 -874.264 -99.916 134.838 1.00858.68 C ATOM 58802 O2* C B2792 -873.628-100.679 135.847 1.00858.68 O ATOM 58803 C1* C B2792 -875.674-100.463 134.590 1.00858.68 C ATOM 58804 N1 C B2792 -876.053-100.398 133.170 1.00858.68 N ATOM 58805 C2 C B2792 -875.462-101.293 132.264 1.00858.68 C ATOM 58806 O2 C B2792 -874.633-102.113 132.678 1.00858.68 O ATOM 58807 N3 C B2792 -875.813-101.238 130.959 1.00858.68 N ATOM 58808 C4 C B2792 -876.707-100.335 130.547 1.00858.68 C ATOM 58809 N4 C B2792 -877.026-100.321 129.252 1.00858.68 N ATOM 58810 C5 C B2792 -877.314 -99.409 131.444 1.00858.68 C ATOM 58811 C6 C B2792 -876.966 -99.478 132.734 1.00858.68 C ATOM 58812 P G B2793 -872.161 -97.456 135.424 1.00858.68 P ATOM 58813 O1P G B2793 -871.048 -98.275 135.967 1.00858.68 O ATOM 58814 O2P G B2793 -872.103 -95.976 135.523 1.00858.68 O ATOM 58815 O5* G B2793 -872.366 -97.845 133.892 1.00858.68 O ATOM 58816 C5* G B2793 -871.258 -98.113 133.042 1.00858.68 C ATOM 58817 C4* G B2793 -871.171 -99.593 132.757 1.00858.68 C ATOM 58818 O4* G B2793 -872.398-100.052 132.141 1.00858.68 O ATOM 58819 C3* G B2793 -870.067-100.031 131.801 1.00858.68 C ATOM 58820 O3* G B2793 -868.800-100.160 132.437 1.00858.68 O ATOM 58821 C2* G B2793 -870.599-101.354 131.261 1.00858.68 C ATOM 58822 O2* G B2793 -870.335-102.441 132.127 1.00858.68 O ATOM 58823 C1* G B2793 -872.110-101.091 131.221 1.00858.68 C ATOM 58824 N9 G B2793 -872.593-100.670 129.911 1.00858.68 N ATOM 58825 C8 G B2793 -873.356 -99.561 129.637 1.00858.68 C ATOM 58826 N7 G B2793 -873.646 -99.437 128.370 1.00858.68 N ATOM 58827 C5 G B2793 -873.036-100.533 127.772 1.00858.68 C ATOM 58828 C6 G B2793 -873.001-100.931 126.413 1.00858.68 C ATOM 58829 O6 G B2793 -873.516-100.377 125.435 1.00858.68 O ATOM 58830 N1 G B2793 -872.272-102.101 126.244 1.00858.68 N ATOM 58831 C2 G B2793 -871.652-102.800 127.249 1.00858.68 C ATOM 58832 N2 G B2793 -870.991-103.911 126.879 1.00858.68 N ATOM 58833 N3 G B2793 -871.678-102.439 128.523 1.00858.68 N ATOM 58834 C4 G B2793 -872.382-101.303 128.710 1.00858.68 C ATOM 58835 P G B2794 -867.461-100.142 131.552 1.00858.68 P ATOM 58836 O1P G B2794 -866.550-101.181 132.094 1.00858.68 O ATOM 58837 O2P G B2794 -866.992 -98.737 131.449 1.00858.68 O ATOM 58838 O5* G B2794 -867.946-100.609 130.111 1.00858.68 O ATOM 58839 C5* G B2794 -867.180-100.300 128.953 1.00858.68 C ATOM 58840 C4* G B2794 -867.088-101.503 128.046 1.00858.68 C ATOM 58841 O4* G B2794 -868.400-101.824 127.524 1.00858.68 O ATOM 58842 C3* G B2794 -866.230-101.332 126.812 1.00858.68 C ATOM 58843 O3* G B2794 -864.863-101.534 127.145 1.00858.68 O ATOM 58844 C2* G B2794 -866.788-102.386 125.861 1.00858.68 C ATOM 58845 O2* G B2794 -866.254-103.672 126.101 1.00858.68 O ATOM 58846 C1* G B2794 -868.276-102.370 126.225 1.00858.68 C ATOM 58847 N9 G B2794 -869.075-101.544 125.326 1.00858.68 N ATOM 58848 C8 G B2794 -869.724-100.375 125.650 1.00858.68 C ATOM 58849 N7 G B2794 -870.368 -99.852 124.642 1.00858.68 N ATOM 58850 C5 G B2794 -870.131-100.726 123.590 1.00858.68 C ATOM 58851 C6 G B2794 -870.576-100.688 122.246 1.00858.68 C ATOM 58852 O6 G B2794 -871.294 -99.840 121.695 1.00858.68 O ATOM 58853 N1 G B2794 -870.099-101.771 121.519 1.00858.68 N ATOM 58854 C2 G B2794 -869.304-102.772 122.019 1.00858.68 C ATOM 58855 N2 G B2794 -868.952-103.736 121.157 1.00858.68 N ATOM 58856 N3 G B2794 -868.886-102.824 123.274 1.00858.68 N ATOM 58857 C4 G B2794 -869.333-101.776 123.996 1.00858.68 C ATOM 58858 P A B2795 -863.877-100.270 127.243 1.00858.68 P ATOM 58859 O1P A B2795 -862.644-100.723 127.932 1.00858.68 O ATOM 58860 O2P A B2795 -864.645 -99.122 127.795 1.00858.68 O ATOM 58861 O5* A B2795 -863.512 -99.949 125.728 1.00858.68 O ATOM 58862 C5* A B2795 -863.399-100.992 124.768 1.00858.68 C ATOM 58863 C4* A B2795 -861.984-101.075 124.252 1.00858.68 C ATOM 58864 O4* A B2795 -861.125-101.620 125.288 1.00858.68 O ATOM 58865 C3* A B2795 -861.770-101.990 123.058 1.00858.68 C ATOM 58866 O3* A B2795 -862.063-101.309 121.845 1.00858.68 O ATOM 58867 C2* A B2795 -860.299-102.364 123.181 1.00858.68 C ATOM 58868 O2* A B2795 -859.443-101.379 122.641 1.00858.68 O ATOM 58869 C1* A B2795 -860.121-102.428 124.702 1.00858.68 C ATOM 58870 N9 A B2795 -860.253-103.773 125.261 1.00858.68 N ATOM 58871 C8 A B2795 -859.835-104.946 124.677 1.00858.68 C ATOM 58872 N7 A B2795 -860.068-106.012 125.406 1.00858.68 N ATOM 58873 C5 A B2795 -860.678-105.511 126.544 1.00858.68 C ATOM 58874 C6 A B2795 -861.172-106.135 127.707 1.00858.68 C ATOM 58875 N6 A B2795 -861.120-107.451 127.915 1.00858.68 N ATOM 58876 N1 A B2795 -861.725-105.348 128.655 1.00858.68 N ATOM 58877 C2 A B2795 -861.774-104.028 128.443 1.00858.68 C ATOM 58878 N3 A B2795 -861.345-103.325 127.397 1.00858.68 N ATOM 58879 C4 A B2795 -860.802-104.136 126.470 1.00858.68 C ATOM 58880 P A B2796 -862.770-102.111 120.644 1.00858.68 P ATOM 58881 O1P A B2796 -863.795-102.999 121.249 1.00858.68 O ATOM 58882 O2P A B2796 -861.710-102.697 119.786 1.00858.68 O ATOM 58883 O5* A B2796 -863.528-100.987 119.809 1.00858.68 O ATOM 58884 C5* A B2796 -864.206-101.320 118.604 1.00858.68 C ATOM 58885 C4* A B2796 -865.485-100.524 118.480 1.00858.68 C ATOM 58886 O4* A B2796 -866.437-100.957 119.487 1.00858.68 O ATOM 58887 C3* A B2796 -865.333 -99.024 118.690 1.00858.68 C ATOM 58888 O3* A B2796 -864.947 -98.334 117.506 1.00858.68 O ATOM 58889 C2* A B2796 -866.727 -98.615 119.147 1.00858.68 C ATOM 58890 O2* A B2796 -867.600 -98.461 118.050 1.00858.68 O ATOM 58891 C1* A B2796 -867.169 -99.838 119.956 1.00858.68 C ATOM 58892 N9 A B2796 -866.943 -99.705 121.395 1.00858.68 N ATOM 58893 C8 A B2796 -866.126-100.461 122.195 1.00858.68 C ATOM 58894 N7 A B2796 -866.146-100.109 123.458 1.00858.68 N ATOM 58895 C5 A B2796 -867.039 -99.047 123.492 1.00858.68 C ATOM 58896 C6 A B2796 -867.501 -98.232 124.543 1.00858.68 C ATOM 58897 N6 A B2796 -867.115 -98.372 125.812 1.00858.68 N ATOM 58898 N1 A B2796 -868.387 -97.258 124.236 1.00858.68 N ATOM 58899 C2 A B2796 -868.772 -97.118 122.963 1.00858.68 C ATOM 58900 N3 A B2796 -868.412 -97.824 121.891 1.00858.68 N ATOM 58901 C4 A B2796 -867.532 -98.781 122.226 1.00858.68 C ATOM 58902 P G B2797 -863.866 -97.151 117.592 1.00858.68 P ATOM 58903 O1P G B2797 -863.108 -97.146 116.314 1.00858.68 O ATOM 58904 O2P G B2797 -863.141 -97.278 118.876 1.00858.68 O ATOM 58905 O5* G B2797 -864.739 -95.820 117.631 1.00858.68 O ATOM 58906 C5* G B2797 -865.767 -95.609 116.672 1.00858.68 C ATOM 58907 C4* G B2797 -866.840 -94.719 117.244 1.00858.68 C ATOM 58908 O4* G B2797 -867.312 -95.264 118.501 1.00858.68 O ATOM 58909 C3* G B2797 -866.442 -93.280 117.579 1.00858.68 C ATOM 58910 O3* G B2797 -866.461 -92.411 116.449 1.00858.68 O ATOM 58911 C2* G B2797 -867.488 -92.892 118.618 1.00858.68 C ATOM 58912 O2* G B2797 -868.707 -92.495 118.024 1.00858.68 O ATOM 58913 C1* G B2797 -867.693 -94.207 119.364 1.00858.68 C ATOM 58914 N9 G B2797 -866.892 -94.290 120.581 1.00858.68 N ATOM 58915 C8 G B2797 -866.271 -95.400 121.097 1.00858.68 C ATOM 58916 N7 G B2797 -865.631 -95.159 122.206 1.00858.68 N ATOM 58917 C5 G B2797 -865.839 -93.805 122.437 1.00858.68 C ATOM 58918 C6 G B2797 -865.392 -92.968 123.493 1.00858.68 C ATOM 58919 O6 G B2797 -864.698 -93.266 124.473 1.00858.68 O ATOM 58920 N1 G B2797 -865.836 -91.657 123.329 1.00858.68 N ATOM 58921 C2 G B2797 -866.612 -91.211 122.289 1.00858.68 C ATOM 58922 N2 G B2797 -866.938 -89.910 122.309 1.00858.68 N ATOM 58923 N3 G B2797 -867.037 -91.982 121.300 1.00858.68 N ATOM 58924 C4 G B2797 -866.615 -93.255 121.440 1.00858.68 C ATOM 58925 P A B2798 -865.958 -90.892 116.607 1.00858.68 P ATOM 58926 O1P A B2798 -866.059 -90.269 115.264 1.00858.68 O ATOM 58927 O2P A B2798 -864.660 -90.887 117.327 1.00858.68 O ATOM 58928 O5* A B2798 -867.064 -90.227 117.540 1.00858.68 O ATOM 58929 C5* A B2798 -866.733 -89.676 118.815 1.00858.68 C ATOM 58930 C4* A B2798 -867.859 -88.791 119.287 1.00858.68 C ATOM 58931 O4* A B2798 -867.996 -87.684 118.367 1.00858.68 O ATOM 58932 C3* A B2798 -869.234 -89.436 119.339 1.00858.68 C ATOM 58933 O3* A B2798 -869.409 -90.084 120.597 1.00858.68 O ATOM 58934 C2* A B2798 -870.175 -88.252 119.148 1.00858.68 C ATOM 58935 O2* A B2798 -870.415 -87.558 120.351 1.00858.68 O ATOM 58936 C1* A B2798 -869.364 -87.364 118.196 1.00858.68 C ATOM 58937 N9 A B2798 -869.676 -87.564 116.780 1.00858.68 N ATOM 58938 C8 A B2798 -868.868 -88.174 115.853 1.00858.68 C ATOM 58939 N7 A B2798 -869.386 -88.225 114.652 1.00858.68 N ATOM 58940 C5 A B2798 -870.618 -87.603 114.795 1.00858.68 C ATOM 58941 C6 A B2798 -871.654 -87.341 113.883 1.00858.68 C ATOM 58942 N6 A B2798 -871.606 -87.686 112.593 1.00858.68 N ATOM 58943 N1 A B2798 -872.749 -86.708 114.346 1.00858.68 N ATOM 58944 C2 A B2798 -872.795 -86.366 115.641 1.00858.68 C ATOM 58945 N3 A B2798 -871.889 -86.558 116.596 1.00858.68 N ATOM 58946 C4 A B2798 -870.810 -87.191 116.101 1.00858.68 C ATOM 58947 P C B2799 -870.568 -91.181 120.780 1.00858.68 P ATOM 58948 O1P C B2799 -870.972 -91.156 122.208 1.00858.68 O ATOM 58949 O2P C B2799 -870.121 -92.459 120.172 1.00858.68 O ATOM 58950 O5* C B2799 -871.782 -90.619 119.915 1.00858.68 O ATOM 58951 C5* C B2799 -872.886 -89.980 120.545 1.00858.68 C ATOM 58952 C4* C B2799 -873.933 -89.606 119.517 1.00858.68 C ATOM 58953 O4* C B2799 -873.302 -88.915 118.412 1.00858.68 O ATOM 58954 C3* C B2799 -874.716 -90.758 118.886 1.00858.68 C ATOM 58955 O3* C B2799 -875.853 -91.100 119.672 1.00858.68 O ATOM 58956 C2* C B2799 -875.131 -90.170 117.544 1.00858.68 C ATOM 58957 O2* C B2799 -876.291 -89.364 117.645 1.00858.68 O ATOM 58958 C1* C B2799 -873.928 -89.287 117.198 1.00858.68 C ATOM 58959 N1 C B2799 -872.941 -89.974 116.349 1.00858.68 N ATOM 58960 C2 C B2799 -873.226 -90.155 114.991 1.00858.68 C ATOM 58961 O2 C B2799 -874.302 -89.732 114.541 1.00858.68 O ATOM 58962 N3 C B2799 -872.327 -90.788 114.205 1.00858.68 N ATOM 58963 C4 C B2799 -871.179 -91.231 114.724 1.00858.68 C ATOM 58964 N4 C B2799 -870.320 -91.850 113.913 1.00858.68 N ATOM 58965 C5 C B2799 -870.861 -91.059 116.106 1.00858.68 C ATOM 58966 C6 C B2799 -871.763 -90.429 116.873 1.00858.68 C ATOM 58967 P C B2800 -876.928 -92.156 119.109 1.00858.68 P ATOM 58968 O1P C B2800 -878.025 -91.375 118.483 1.00858.68 O ATOM 58969 O2P C B2800 -877.243 -93.123 120.194 1.00858.68 O ATOM 58970 O5* C B2800 -876.159 -92.941 117.954 1.00858.68 O ATOM 58971 C5* C B2800 -876.673 -92.992 116.625 1.00858.68 C ATOM 58972 C4* C B2800 -875.808 -93.890 115.770 1.00858.68 C ATOM 58973 O4* C B2800 -874.421 -93.586 116.056 1.00858.68 O ATOM 58974 C3* C B2800 -875.926 -95.376 116.034 1.00858.68 C ATOM 58975 O3* C B2800 -876.978 -95.930 115.247 1.00858.68 O ATOM 58976 C2* C B2800 -874.570 -95.915 115.601 1.00858.68 C ATOM 58977 O2* C B2800 -874.494 -96.135 114.206 1.00858.68 O ATOM 58978 C1* C B2800 -873.638 -94.762 115.979 1.00858.68 C ATOM 58979 N1 C B2800 -872.975 -94.953 117.278 1.00858.68 N ATOM 58980 C2 C B2800 -871.813 -95.725 117.337 1.00858.68 C ATOM 58981 O2 C B2800 -871.378 -96.239 116.295 1.00858.68 O ATOM 58982 N3 C B2800 -871.193 -95.894 118.526 1.00858.68 N ATOM 58983 C4 C B2800 -871.694 -95.327 119.628 1.00858.68 C ATOM 58984 N4 C B2800 -871.047 -95.514 120.780 1.00858.68 N ATOM 58985 C5 C B2800 -872.882 -94.540 119.595 1.00858.68 C ATOM 58986 C6 C B2800 -873.484 -94.381 118.411 1.00858.68 C ATOM 58987 P A B2801 -877.527 -97.409 115.566 1.00858.68 P ATOM 58988 O1P A B2801 -878.968 -97.431 115.209 1.00858.68 O ATOM 58989 O2P A B2801 -877.107 -97.780 116.943 1.00858.68 O ATOM 58990 O5* A B2801 -876.755 -98.351 114.540 1.00858.68 O ATOM 58991 C5* A B2801 -877.446 -99.017 113.485 1.00858.68 C ATOM 58992 C4* A B2801 -876.527-100.004 112.806 1.00858.68 C ATOM 58993 O4* A B2801 -875.311 -99.329 112.401 1.00858.68 O ATOM 58994 C3* A B2801 -876.053-101.193 113.639 1.00858.68 C ATOM 58995 O3* A B2801 -876.991-102.261 113.658 1.00858.68 O ATOM 58996 C2* A B2801 -874.745-101.575 112.963 1.00858.68 C ATOM 58997 O2* A B2801 -874.938-102.398 111.830 1.00858.68 O ATOM 58998 C1* A B2801 -874.209-100.206 112.535 1.00858.68 C ATOM 58999 N9 A B2801 -873.293 -99.633 113.523 1.00858.68 N ATOM 59000 C8 A B2801 -873.618 -99.003 114.699 1.00858.68 C ATOM 59001 N7 A B2801 -872.577 -98.609 115.390 1.00858.68 N ATOM 59002 C5 A B2801 -871.496 -99.002 114.616 1.00858.68 C ATOM 59003 C6 A B2801 -870.109 -98.875 114.797 1.00858.68 C ATOM 59004 N6 A B2801 -869.550 -98.294 115.861 1.00858.68 N ATOM 59005 N1 A B2801 -869.304 -99.367 113.831 1.00858.68 N ATOM 59006 C2 A B2801 -869.865 -99.952 112.767 1.00858.68 C ATOM 59007 N3 A B2801 -871.151-100.134 112.485 1.00858.68 N ATOM 59008 C4 A B2801 -871.925 -99.633 113.461 1.00858.68 C ATOM 59009 P C B2802 -877.005-103.281 114.898 1.00858.68 P ATOM 59010 O1P C B2802 -877.810-104.461 114.493 1.00858.68 O ATOM 59011 O2P C B2802 -877.375-102.524 116.120 1.00858.68 O ATOM 59012 O5* C B2802 -875.485-103.736 115.031 1.00858.68 O ATOM 59013 C5* C B2802 -875.032-104.939 114.417 1.00858.68 C ATOM 59014 C4* C B2802 -873.960-105.585 115.259 1.00858.68 C ATOM 59015 O4* C B2802 -872.754-104.781 115.231 1.00858.68 O ATOM 59016 C3* C B2802 -874.260-105.746 116.733 1.00858.68 C ATOM 59017 O3* C B2802 -875.044-106.909 116.961 1.00858.68 O ATOM 59018 C2* C B2802 -872.872-105.852 117.355 1.00858.68 C ATOM 59019 O2* C B2802 -872.338-107.160 117.280 1.00858.68 O ATOM 59020 C1* C B2802 -872.062-104.913 116.462 1.00858.68 C ATOM 59021 N1 C B2802 -871.917-103.580 117.063 1.00858.68 N ATOM 59022 C2 C B2802 -871.054-103.425 118.152 1.00858.68 C ATOM 59023 O2 C B2802 -870.421-104.412 118.555 1.00858.68 O ATOM 59024 N3 C B2802 -870.932-102.211 118.732 1.00858.68 N ATOM 59025 C4 C B2802 -871.630-101.176 118.265 1.00858.68 C ATOM 59026 N4 C B2802 -871.484 -99.996 118.878 1.00858.68 N ATOM 59027 C5 C B2802 -872.509-101.299 117.150 1.00858.68 C ATOM 59028 C6 C B2802 -872.621-102.510 116.585 1.00858.68 C ATOM 59029 P C B2803 -875.937-107.002 118.293 1.00858.68 P ATOM 59030 O1P C B2803 -876.732-108.254 118.214 1.00858.68 O ATOM 59031 O2P C B2803 -876.633-105.702 118.484 1.00858.68 O ATOM 59032 O5* C B2803 -874.859-107.166 119.452 1.00858.68 O ATOM 59033 C5* C B2803 -874.032-108.321 119.501 1.00858.68 C ATOM 59034 C4* C B2803 -873.278-108.388 120.807 1.00858.68 C ATOM 59035 O4* C B2803 -872.296-107.324 120.896 1.00858.68 O ATOM 59036 C3* C B2803 -874.112-108.241 122.062 1.00858.68 C ATOM 59037 O3* C B2803 -874.735-109.463 122.421 1.00858.68 O ATOM 59038 C2* C B2803 -873.078-107.804 123.093 1.00858.68 C ATOM 59039 O2* C B2803 -872.352-108.889 123.633 1.00858.68 O ATOM 59040 C1* C B2803 -872.145-106.934 122.254 1.00858.68 C ATOM 59041 N1 C B2803 -872.499-105.514 122.385 1.00858.68 N ATOM 59042 C2 C B2803 -871.989-104.791 123.470 1.00858.68 C ATOM 59043 O2 C B2803 -871.227-105.364 124.268 1.00858.68 O ATOM 59044 N3 C B2803 -872.337-103.496 123.623 1.00858.68 N ATOM 59045 C4 C B2803 -873.164-102.921 122.745 1.00858.68 C ATOM 59046 N4 C B2803 -873.495-101.644 122.949 1.00858.68 N ATOM 59047 C5 C B2803 -873.686-103.626 121.627 1.00858.68 C ATOM 59048 C6 C B2803 -873.328-104.909 121.483 1.00858.68 C ATOM 59049 P G B2804 -876.045-109.430 123.346 1.00858.68 P ATOM 59050 O1P G B2804 -876.768-110.712 123.157 1.00858.68 O ATOM 59051 O2P G B2804 -876.752-108.146 123.104 1.00858.68 O ATOM 59052 O5* G B2804 -875.453-109.402 124.824 1.00858.68 O ATOM 59053 C5* G B2804 -874.505-110.380 125.238 1.00858.68 C ATOM 59054 C4* G B2804 -873.896-110.010 126.570 1.00858.68 C ATOM 59055 O4* G B2804 -873.097-108.802 126.476 1.00858.68 O ATOM 59056 C3* G B2804 -874.918-109.751 127.674 1.00858.68 C ATOM 59057 O3* G B2804 -875.363-110.943 128.306 1.00858.68 O ATOM 59058 C2* G B2804 -874.136-108.850 128.626 1.00858.68 C ATOM 59059 O2* G B2804 -873.311-109.585 129.510 1.00858.68 O ATOM 59060 C1* G B2804 -873.259-108.047 127.665 1.00858.68 C ATOM 59061 N9 G B2804 -873.801-106.732 127.332 1.00858.68 N ATOM 59062 C8 G B2804 -874.101-106.241 126.084 1.00858.68 C ATOM 59063 N7 G B2804 -874.584-105.027 126.116 1.00858.68 N ATOM 59064 C5 G B2804 -874.603-104.698 127.462 1.00858.68 C ATOM 59065 C6 G B2804 -875.023-103.507 128.116 1.00858.68 C ATOM 59066 O6 G B2804 -875.481-102.474 127.615 1.00858.68 O ATOM 59067 N1 G B2804 -874.870-103.595 129.494 1.00858.68 N ATOM 59068 C2 G B2804 -874.378-104.686 130.166 1.00858.68 C ATOM 59069 N2 G B2804 -874.309-104.574 131.501 1.00858.68 N ATOM 59070 N3 G B2804 -873.980-105.802 129.571 1.00858.68 N ATOM 59071 C4 G B2804 -874.122-105.736 128.227 1.00858.68 C ATOM 59072 P G B2805 -876.936-111.263 128.364 1.00858.68 P ATOM 59073 O1P G B2805 -877.144-112.626 127.813 1.00858.68 O ATOM 59074 O2P G B2805 -877.668-110.111 127.774 1.00858.68 O ATOM 59075 O5* G B2805 -877.239-111.300 129.926 1.00858.68 O ATOM 59076 C5* G B2805 -878.538-111.006 130.415 1.00858.68 C ATOM 59077 C4* G B2805 -878.449-110.331 131.761 1.00858.68 C ATOM 59078 O4* G B2805 -877.374-109.362 131.765 1.00858.68 O ATOM 59079 C3* G B2805 -879.690-109.557 132.157 1.00858.68 C ATOM 59080 O3* G B2805 -880.636-110.425 132.757 1.00858.68 O ATOM 59081 C2* G B2805 -879.148-108.485 133.092 1.00858.68 C ATOM 59082 O2* G B2805 -878.980-108.958 134.414 1.00858.68 O ATOM 59083 C1* G B2805 -877.779-108.197 132.467 1.00858.68 C ATOM 59084 N9 G B2805 -877.791-107.103 131.499 1.00858.68 N ATOM 59085 C8 G B2805 -877.771-107.231 130.132 1.00858.68 C ATOM 59086 N7 G B2805 -877.781-106.087 129.508 1.00858.68 N ATOM 59087 C5 G B2805 -877.812-105.142 130.522 1.00858.68 C ATOM 59088 C6 G B2805 -877.834-103.724 130.453 1.00858.68 C ATOM 59089 O6 G B2805 -877.827-103.001 129.447 1.00858.68 O ATOM 59090 N1 G B2805 -877.861-103.153 131.716 1.00858.68 N ATOM 59091 C2 G B2805 -877.869-103.849 132.900 1.00858.68 C ATOM 59092 N2 G B2805 -877.898-103.108 134.016 1.00858.68 N ATOM 59093 N3 G B2805 -877.846-105.171 132.979 1.00858.68 N ATOM 59094 C4 G B2805 -877.820-105.751 131.761 1.00858.68 C ATOM 59095 P G B2806 -882.061-110.636 132.057 1.00858.68 P ATOM 59096 O1P G B2806 -882.713-111.822 132.670 1.00858.68 O ATOM 59097 O2P G B2806 -881.839-110.584 130.590 1.00858.68 O ATOM 59098 O5* G B2806 -882.869-109.331 132.462 1.00858.68 O ATOM 59099 C5* G B2806 -883.213-109.096 133.816 1.00858.68 C ATOM 59100 C4* G B2806 -883.866-107.748 133.950 1.00858.68 C ATOM 59101 O4* G B2806 -882.976-106.698 133.497 1.00858.68 O ATOM 59102 C3* G B2806 -885.141-107.606 133.147 1.00858.68 C ATOM 59103 O3* G B2806 -886.237-108.052 133.928 1.00858.68 O ATOM 59104 C2* G B2806 -885.199-106.111 132.859 1.00858.68 C ATOM 59105 O2* G B2806 -885.771-105.379 133.926 1.00858.68 O ATOM 59106 C1* G B2806 -883.714-105.754 132.744 1.00858.68 C ATOM 59107 N9 G B2806 -883.238-105.753 131.366 1.00858.68 N ATOM 59108 C8 G B2806 -882.803-106.820 130.617 1.00858.68 C ATOM 59109 N7 G B2806 -882.461-106.488 129.400 1.00858.68 N ATOM 59110 C5 G B2806 -882.684-105.118 129.343 1.00858.68 C ATOM 59111 C6 G B2806 -882.499-104.192 128.276 1.00858.68 C ATOM 59112 O6 G B2806 -882.097-104.401 127.130 1.00858.68 O ATOM 59113 N1 G B2806 -882.847-102.899 128.658 1.00858.68 N ATOM 59114 C2 G B2806 -883.313-102.538 129.896 1.00858.68 C ATOM 59115 N2 G B2806 -883.596-101.241 130.066 1.00858.68 N ATOM 59116 N3 G B2806 -883.489-103.389 130.895 1.00858.68 N ATOM 59117 C4 G B2806 -883.157-104.651 130.551 1.00858.68 C ATOM 59118 P U B2807 -887.290-109.093 133.303 1.00858.68 P ATOM 59119 O1P U B2807 -887.146-109.054 131.824 1.00858.68 O ATOM 59120 O2P U B2807 -888.617-108.841 133.918 1.00858.68 O ATOM 59121 O5* U B2807 -886.749-110.490 133.828 1.00858.68 O ATOM 59122 C5* U B2807 -887.049-110.906 135.155 1.00858.68 C ATOM 59123 C4* U B2807 -885.815-111.431 135.839 1.00858.68 C ATOM 59124 O4* U B2807 -884.892-110.323 136.027 1.00858.68 O ATOM 59125 C3* U B2807 -885.961-111.992 137.234 1.00858.68 C ATOM 59126 O3* U B2807 -886.416-113.337 137.184 1.00858.68 O ATOM 59127 C2* U B2807 -884.552-111.870 137.795 1.00858.68 C ATOM 59128 O2* U B2807 -883.708-112.932 137.392 1.00858.68 O ATOM 59129 C1* U B2807 -884.083-110.560 137.164 1.00858.68 C ATOM 59130 N1 U B2807 -884.281-109.427 138.076 1.00858.68 N ATOM 59131 C2 U B2807 -883.163-108.809 138.594 1.00858.68 C ATOM 59132 O2 U B2807 -882.026-109.142 138.305 1.00858.68 O ATOM 59133 N3 U B2807 -883.426-107.783 139.468 1.00858.68 N ATOM 59134 C4 U B2807 -884.669-107.321 139.860 1.00858.68 C ATOM 59135 O4 U B2807 -884.745-106.414 140.687 1.00858.68 O ATOM 59136 C5 U B2807 -885.772-108.006 139.264 1.00858.68 C ATOM 59137 C6 U B2807 -885.546-109.007 138.416 1.00858.68 C ATOM 59138 P U B2808 -886.894-114.054 138.542 1.00858.68 P ATOM 59139 O1P U B2808 -888.351-114.309 138.414 1.00858.68 O ATOM 59140 O2P U B2808 -886.384-113.260 139.690 1.00858.68 O ATOM 59141 O5* U B2808 -886.141-115.456 138.527 1.00858.68 O ATOM 59142 C5* U B2808 -884.842-115.577 137.963 1.00858.68 C ATOM 59143 C4* U B2808 -884.805-116.728 136.989 1.00858.68 C ATOM 59144 O4* U B2808 -886.140-116.963 136.476 1.00858.68 O ATOM 59145 C3* U B2808 -883.948-116.491 135.759 1.00858.68 C ATOM 59146 O3* U B2808 -882.581-116.821 135.995 1.00858.68 O ATOM 59147 C2* U B2808 -884.588-117.395 134.714 1.00858.68 C ATOM 59148 O2* U B2808 -884.126-118.727 134.793 1.00858.68 O ATOM 59149 C1* U B2808 -886.065-117.350 135.117 1.00858.68 C ATOM 59150 N1 U B2808 -886.875-116.406 134.331 1.00858.68 N ATOM 59151 C2 U B2808 -887.721-116.927 133.370 1.00858.68 C ATOM 59152 O2 U B2808 -887.811-118.120 133.145 1.00858.68 O ATOM 59153 N3 U B2808 -888.458-115.994 132.681 1.00858.68 N ATOM 59154 C4 U B2808 -888.432-114.622 132.851 1.00858.68 C ATOM 59155 O4 U B2808 -889.162-113.914 132.159 1.00858.68 O ATOM 59156 C5 U B2808 -887.528-114.165 133.859 1.00858.68 C ATOM 59157 C6 U B2808 -886.797-115.050 134.547 1.00858.68 C ATOM 59158 P A B2809 -881.419-115.998 135.255 1.00858.68 P ATOM 59159 O1P A B2809 -881.899-115.665 133.890 1.00858.68 O ATOM 59160 O2P A B2809 -880.149-116.751 135.423 1.00858.68 O ATOM 59161 O5* A B2809 -881.299-114.643 136.085 1.00858.68 O ATOM 59162 C5* A B2809 -881.068-113.396 135.433 1.00858.68 C ATOM 59163 C4* A B2809 -880.382-112.436 136.379 1.00858.68 C ATOM 59164 O4* A B2809 -881.294-112.075 137.444 1.00858.68 O ATOM 59165 C3* A B2809 -879.138-112.945 137.087 1.00858.68 C ATOM 59166 O3* A B2809 -877.995-112.755 136.254 1.00858.68 O ATOM 59167 C2* A B2809 -879.084-112.086 138.348 1.00858.68 C ATOM 59168 O2* A B2809 -878.451-110.842 138.131 1.00858.68 O ATOM 59169 C1* A B2809 -880.568-111.845 138.636 1.00858.68 C ATOM 59170 N9 A B2809 -881.138-112.702 139.677 1.00858.68 N ATOM 59171 C8 A B2809 -881.693-113.950 139.534 1.00858.68 C ATOM 59172 N7 A B2809 -882.153-114.455 140.651 1.00858.68 N ATOM 59173 C5 A B2809 -881.880-113.478 141.597 1.00858.68 C ATOM 59174 C6 A B2809 -882.124-113.403 142.979 1.00858.68 C ATOM 59175 N6 A B2809 -882.736-114.364 143.677 1.00858.68 N ATOM 59176 N1 A B2809 -881.719-112.292 143.632 1.00858.68 N ATOM 59177 C2 A B2809 -881.113-111.324 142.930 1.00858.68 C ATOM 59178 N3 A B2809 -880.833-111.276 141.631 1.00858.68 N ATOM 59179 C4 A B2809 -881.247-112.398 141.012 1.00858.68 C ATOM 59180 P A B2810 -876.782-113.805 136.296 1.00858.68 P ATOM 59181 O1P A B2810 -877.068-114.847 135.276 1.00858.68 O ATOM 59182 O2P A B2810 -876.554-114.209 137.707 1.00858.68 O ATOM 59183 O5* A B2810 -875.520-112.968 135.798 1.00858.68 O ATOM 59184 C5* A B2810 -875.284-111.646 136.276 1.00858.68 C ATOM 59185 C4* A B2810 -874.005-111.607 137.075 1.00858.68 C ATOM 59186 O4* A B2810 -874.090-112.573 138.143 1.00858.68 O ATOM 59187 C3* A B2810 -872.721-111.945 136.303 1.00858.68 C ATOM 59188 O3* A B2810 -872.142-110.777 135.727 1.00858.68 O ATOM 59189 C2* A B2810 -871.812-112.511 137.396 1.00858.68 C ATOM 59190 O2* A B2810 -871.063-111.510 138.058 1.00858.68 O ATOM 59191 C1* A B2810 -872.815-113.119 138.384 1.00858.68 C ATOM 59192 N9 A B2810 -872.937-114.576 138.432 1.00858.68 N ATOM 59193 C8 A B2810 -872.931-115.453 137.378 1.00858.68 C ATOM 59194 N7 A B2810 -873.129-116.701 137.731 1.00858.68 N ATOM 59195 C5 A B2810 -873.257-116.642 139.110 1.00858.68 C ATOM 59196 C6 A B2810 -873.493-117.629 140.082 1.00858.68 C ATOM 59197 N6 A B2810 -873.653-118.922 139.800 1.00858.68 N ATOM 59198 N1 A B2810 -873.561-117.234 141.371 1.00858.68 N ATOM 59199 C2 A B2810 -873.409-115.935 141.649 1.00858.68 C ATOM 59200 N3 A B2810 -873.190-114.914 140.830 1.00858.68 N ATOM 59201 C4 A B2810 -873.127-115.339 139.558 1.00858.68 C ATOM 59202 P G B2811 -871.811-110.719 134.157 1.00858.68 P ATOM 59203 O1P G B2811 -873.100-110.569 133.436 1.00858.68 O ATOM 59204 O2P G B2811 -870.898-111.834 133.804 1.00858.68 O ATOM 59205 O5* G B2811 -871.011-109.347 134.023 1.00858.68 O ATOM 59206 C5* G B2811 -870.879-108.695 132.765 1.00858.68 C ATOM 59207 C4* G B2811 -871.503-107.316 132.810 1.00858.68 C ATOM 59208 O4* G B2811 -872.923-107.399 133.090 1.00858.68 O ATOM 59209 C3* G B2811 -870.924-106.401 133.879 1.00858.68 C ATOM 59210 O3* G B2811 -869.749-105.741 133.422 1.00858.68 O ATOM 59211 C2* G B2811 -872.070-105.431 134.147 1.00858.68 C ATOM 59212 O2* G B2811 -872.110-104.359 133.227 1.00858.68 O ATOM 59213 C1* G B2811 -873.298-106.326 133.936 1.00858.68 C ATOM 59214 N9 G B2811 -873.845-106.869 135.178 1.00858.68 N ATOM 59215 C8 G B2811 -873.497-108.045 135.798 1.00858.68 C ATOM 59216 N7 G B2811 -874.167-108.263 136.894 1.00858.68 N ATOM 59217 C5 G B2811 -875.012-107.167 137.008 1.00858.68 C ATOM 59218 C6 G B2811 -875.981-106.846 137.997 1.00858.68 C ATOM 59219 O6 G B2811 -876.295-107.488 139.009 1.00858.68 O ATOM 59220 N1 G B2811 -876.610-105.637 137.724 1.00858.68 N ATOM 59221 C2 G B2811 -876.350-104.838 136.639 1.00858.68 C ATOM 59222 N2 G B2811 -877.064-103.708 136.552 1.00858.68 N ATOM 59223 N3 G B2811 -875.449-105.125 135.710 1.00858.68 N ATOM 59224 C4 G B2811 -874.824-106.296 135.957 1.00858.68 C ATOM 59225 P A B2812 -868.405-105.817 134.294 1.00858.68 P ATOM 59226 O1P A B2812 -867.271-105.990 133.354 1.00858.68 O ATOM 59227 O2P A B2812 -868.610-106.803 135.383 1.00858.68 O ATOM 59228 O5* A B2812 -868.294-104.370 134.948 1.00858.68 O ATOM 59229 C5* A B2812 -867.650-103.310 134.253 1.00858.68 C ATOM 59230 C4* A B2812 -868.097-101.974 134.801 1.00858.68 C ATOM 59231 O4* A B2812 -869.543-101.875 134.750 1.00858.68 O ATOM 59232 C3* A B2812 -867.721-101.690 136.245 1.00858.68 C ATOM 59233 O3* A B2812 -866.415-101.131 136.316 1.00858.68 O ATOM 59234 C2* A B2812 -868.801-100.713 136.690 1.00858.68 C ATOM 59235 O2* A B2812 -868.516 -99.377 136.323 1.00858.68 O ATOM 59236 C1* A B2812 -870.015-101.215 135.910 1.00858.68 C ATOM 59237 N9 A B2812 -870.809-102.159 136.695 1.00858.68 N ATOM 59238 C8 A B2812 -870.833-103.530 136.626 1.00858.68 C ATOM 59239 N7 A B2812 -871.641-104.090 137.493 1.00858.68 N ATOM 59240 C5 A B2812 -872.191-103.011 138.177 1.00858.68 C ATOM 59241 C6 A B2812 -873.118-102.933 139.228 1.00858.68 C ATOM 59242 N6 A B2812 -873.685-103.996 139.802 1.00858.68 N ATOM 59243 N1 A B2812 -873.455-101.702 139.675 1.00858.68 N ATOM 59244 C2 A B2812 -872.886-100.636 139.102 1.00858.68 C ATOM 59245 N3 A B2812 -872.000-100.581 138.114 1.00858.68 N ATOM 59246 C4 A B2812 -871.689-101.818 137.691 1.00858.68 C ATOM 59247 P G B2813 -865.459-101.509 137.551 1.00858.68 P ATOM 59248 O1P G B2813 -864.193-100.757 137.378 1.00858.68 O ATOM 59249 O2P G B2813 -865.426-102.990 137.673 1.00858.68 O ATOM 59250 O5* G B2813 -866.227-100.922 138.817 1.00858.68 O ATOM 59251 C5* G B2813 -866.129 -99.541 139.141 1.00858.68 C ATOM 59252 C4* G B2813 -866.891 -99.234 140.408 1.00858.68 C ATOM 59253 O4* G B2813 -868.262 -99.702 140.292 1.00858.68 O ATOM 59254 C3* G B2813 -866.364 -99.877 141.676 1.00858.68 C ATOM 59255 O3* G B2813 -865.312 -99.118 142.260 1.00858.68 O ATOM 59256 C2* G B2813 -867.596 -99.919 142.565 1.00858.68 C ATOM 59257 O2* G B2813 -867.840 -98.683 143.214 1.00858.68 O ATOM 59258 C1* G B2813 -868.700-100.199 141.550 1.00858.68 C ATOM 59259 N9 G B2813 -868.933-101.634 141.435 1.00858.68 N ATOM 59260 C8 G B2813 -868.499-102.470 140.434 1.00858.68 C ATOM 59261 N7 G B2813 -868.824-103.720 140.633 1.00858.68 N ATOM 59262 C5 G B2813 -869.520-103.707 141.834 1.00858.68 C ATOM 59263 C6 G B2813 -870.114-104.772 142.568 1.00858.68 C ATOM 59264 O6 G B2813 -870.142-105.979 142.293 1.00858.68 O ATOM 59265 N1 G B2813 -870.723-104.317 143.732 1.00858.68 N ATOM 59266 C2 G B2813 -870.754-103.011 144.145 1.00858.68 C ATOM 59267 N2 G B2813 -871.395-102.778 145.303 1.00858.68 N ATOM 59268 N3 G B2813 -870.200-102.009 143.476 1.00858.68 N ATOM 59269 C4 G B2813 -869.604-102.429 142.338 1.00858.68 C ATOM 59270 P G B2814 -864.266 -99.846 143.240 1.00858.68 P ATOM 59271 O1P G B2814 -863.240 -98.845 143.629 1.00858.68 O ATOM 59272 O2P G B2814 -863.842-101.121 142.606 1.00858.68 O ATOM 59273 O5* G B2814 -865.129-100.197 144.531 1.00858.68 O ATOM 59274 C5* G B2814 -865.454 -99.191 145.485 1.00858.68 C ATOM 59275 C4* G B2814 -866.230 -99.780 146.638 1.00858.68 C ATOM 59276 O4* G B2814 -867.452-100.402 146.164 1.00858.68 O ATOM 59277 C3* G B2814 -865.511-100.852 147.450 1.00858.68 C ATOM 59278 O3* G B2814 -864.690-100.284 148.460 1.00858.68 O ATOM 59279 C2* G B2814 -866.669-101.654 148.040 1.00858.68 C ATOM 59280 O2* G B2814 -867.189-101.069 149.219 1.00858.68 O ATOM 59281 C1* G B2814 -867.714-101.568 146.927 1.00858.68 C ATOM 59282 N9 G B2814 -867.692-102.731 146.041 1.00858.68 N ATOM 59283 C8 G B2814 -867.223-102.799 144.751 1.00858.68 C ATOM 59284 N7 G B2814 -867.344-103.988 144.223 1.00858.68 N ATOM 59285 C5 G B2814 -867.924-104.750 145.230 1.00858.68 C ATOM 59286 C6 G B2814 -868.299-106.126 145.255 1.00858.68 C ATOM 59287 O6 G B2814 -868.193-106.974 144.363 1.00858.68 O ATOM 59288 N1 G B2814 -868.850-106.480 146.478 1.00858.68 N ATOM 59289 C2 G B2814 -869.024-105.639 147.541 1.00858.68 C ATOM 59290 N2 G B2814 -869.577-106.182 148.634 1.00858.68 N ATOM 59291 N3 G B2814 -868.684-104.363 147.536 1.00858.68 N ATOM 59292 C4 G B2814 -868.146-103.989 146.357 1.00858.68 C ATOM 59293 P C B2815 -863.438-101.118 149.021 1.00858.68 P ATOM 59294 O1P C B2815 -862.929-100.391 150.211 1.00858.68 O ATOM 59295 O2P C B2815 -862.518-101.408 147.892 1.00858.68 O ATOM 59296 O5* C B2815 -864.081-102.492 149.511 1.00858.68 O ATOM 59297 C5* C B2815 -864.619-102.619 150.824 1.00858.68 C ATOM 59298 C4* C B2815 -865.007-104.052 151.092 1.00858.68 C ATOM 59299 O4* C B2815 -865.992-104.492 150.122 1.00858.68 O ATOM 59300 C3* C B2815 -863.864-105.042 150.974 1.00858.68 C ATOM 59301 O3* C B2815 -863.151-105.142 152.194 1.00858.68 O ATOM 59302 C2* C B2815 -864.574-106.343 150.610 1.00858.68 C ATOM 59303 O2* C B2815 -865.081-107.019 151.741 1.00858.68 O ATOM 59304 C1* C B2815 -865.732-105.837 149.747 1.00858.68 C ATOM 59305 N1 C B2815 -865.409-105.863 148.313 1.00858.68 N ATOM 59306 C2 C B2815 -865.609-107.048 147.594 1.00858.68 C ATOM 59307 O2 C B2815 -866.051-108.049 148.183 1.00858.68 O ATOM 59308 N3 C B2815 -865.308-107.079 146.275 1.00858.68 N ATOM 59309 C4 C B2815 -864.832-105.987 145.674 1.00858.68 C ATOM 59310 N4 C B2815 -864.546-106.064 144.373 1.00858.68 N ATOM 59311 C5 C B2815 -864.623-104.767 146.381 1.00858.68 C ATOM 59312 C6 C B2815 -864.923-104.750 147.685 1.00858.68 C ATOM 59313 P C B2816 -861.639-105.684 152.181 1.00858.68 P ATOM 59314 O1P C B2816 -861.219-105.858 153.594 1.00858.68 O ATOM 59315 O2P C B2816 -860.838-104.817 151.277 1.00858.68 O ATOM 59316 O5* C B2816 -861.766-107.127 151.513 1.00858.68 O ATOM 59317 C5* C B2816 -862.223-108.231 152.284 1.00858.68 C ATOM 59318 C4* C B2816 -862.069-109.525 151.514 1.00858.68 C ATOM 59319 O4* C B2816 -863.008-109.595 150.408 1.00858.68 O ATOM 59320 C3* C B2816 -860.713-109.731 150.867 1.00858.68 C ATOM 59321 O3* C B2816 -859.719-110.206 151.762 1.00858.68 O ATOM 59322 C2* C B2816 -861.025-110.756 149.781 1.00858.68 C ATOM 59323 O2* C B2816 -861.071-112.078 150.278 1.00858.68 O ATOM 59324 C1* C B2816 -862.424-110.324 149.338 1.00858.68 C ATOM 59325 N1 C B2816 -862.338-109.462 148.150 1.00858.68 N ATOM 59326 C2 C B2816 -862.364-110.061 146.882 1.00858.68 C ATOM 59327 O2 C B2816 -862.507-111.293 146.803 1.00858.68 O ATOM 59328 N3 C B2816 -862.237-109.285 145.783 1.00858.68 N ATOM 59329 C4 C B2816 -862.089-107.965 145.914 1.00858.68 C ATOM 59330 N4 C B2816 -861.949-107.235 144.804 1.00858.68 N ATOM 59331 C5 C B2816 -862.075-107.330 147.190 1.00858.68 C ATOM 59332 C6 C B2816 -862.204-108.107 148.269 1.00858.68 C ATOM 59333 P A B2817 -858.173-110.072 151.355 1.00858.68 P ATOM 59334 O1P A B2817 -857.368-110.115 152.599 1.00858.68 O ATOM 59335 O2P A B2817 -858.037-108.915 150.431 1.00858.68 O ATOM 59336 O5* A B2817 -857.888-111.403 150.525 1.00858.68 O ATOM 59337 C5* A B2817 -857.984-112.677 151.150 1.00858.68 C ATOM 59338 C4* A B2817 -857.595-113.773 150.188 1.00858.68 C ATOM 59339 O4* A B2817 -858.644-113.981 149.205 1.00858.68 O ATOM 59340 C3* A B2817 -856.345-113.584 149.351 1.00858.68 C ATOM 59341 O3* A B2817 -855.174-113.894 150.096 1.00858.68 O ATOM 59342 C2* A B2817 -856.562-114.560 148.200 1.00858.68 C ATOM 59343 O2* A B2817 -856.197-115.883 148.537 1.00858.68 O ATOM 59344 C1* A B2817 -858.077-114.478 148.003 1.00858.68 C ATOM 59345 N9 A B2817 -858.427-113.573 146.910 1.00858.68 N ATOM 59346 C8 A B2817 -858.951-112.307 146.978 1.00858.68 C ATOM 59347 N7 A B2817 -859.132-111.746 145.807 1.00858.68 N ATOM 59348 C5 A B2817 -858.701-112.711 144.904 1.00858.68 C ATOM 59349 C6 A B2817 -858.631-112.733 143.498 1.00858.68 C ATOM 59350 N6 A B2817 -859.012-111.720 142.714 1.00858.68 N ATOM 59351 N1 A B2817 -858.149-113.849 142.912 1.00858.68 N ATOM 59352 C2 A B2817 -857.768-114.866 143.691 1.00858.68 C ATOM 59353 N3 A B2817 -857.784-114.967 145.015 1.00858.68 N ATOM 59354 C4 A B2817 -858.267-113.841 145.572 1.00858.68 C ATOM 59355 P G B2818 -853.964-112.836 150.135 1.00858.68 P ATOM 59356 O1P G B2818 -852.882-113.432 150.957 1.00858.68 O ATOM 59357 O2P G B2818 -854.517-111.506 150.503 1.00858.68 O ATOM 59358 O5* G B2818 -853.463-112.771 148.624 1.00858.68 O ATOM 59359 C5* G B2818 -852.536-113.732 148.127 1.00858.68 C ATOM 59360 C4* G B2818 -852.162-113.429 146.694 1.00858.68 C ATOM 59361 O4* G B2818 -853.338-113.515 145.847 1.00858.68 O ATOM 59362 C3* G B2818 -851.590-112.058 146.378 1.00858.68 C ATOM 59363 O3* G B2818 -850.200-111.994 146.667 1.00858.68 O ATOM 59364 C2* G B2818 -851.846-111.934 144.883 1.00858.68 C ATOM 59365 O2* G B2818 -850.862-112.588 144.107 1.00858.68 O ATOM 59366 C1* G B2818 -853.187-112.650 144.732 1.00858.68 C ATOM 59367 N9 G B2818 -854.278-111.681 144.729 1.00858.68 N ATOM 59368 C8 G B2818 -855.087-111.324 145.780 1.00858.68 C ATOM 59369 N7 G B2818 -855.947-110.392 145.467 1.00858.68 N ATOM 59370 C5 G B2818 -855.695-110.130 144.125 1.00858.68 C ATOM 59371 C6 G B2818 -856.312-109.211 143.233 1.00858.68 C ATOM 59372 O6 G B2818 -857.233-108.415 143.456 1.00858.68 O ATOM 59373 N1 G B2818 -855.747-109.280 141.963 1.00858.68 N ATOM 59374 C2 G B2818 -854.724-110.119 141.595 1.00858.68 C ATOM 59375 N2 G B2818 -854.319-110.040 140.322 1.00858.68 N ATOM 59376 N3 G B2818 -854.143-110.974 142.418 1.00858.68 N ATOM 59377 C4 G B2818 -854.673-110.927 143.655 1.00858.68 C ATOM 59378 P G B2819 -849.554-110.599 147.129 1.00858.68 P ATOM 59379 O1P G B2819 -848.554-110.889 148.187 1.00858.68 O ATOM 59380 O2P G B2819 -850.660-109.645 147.408 1.00858.68 O ATOM 59381 O5* G B2819 -848.775-110.078 145.836 1.00858.68 O ATOM 59382 C5* G B2819 -847.766-110.872 145.214 1.00858.68 C ATOM 59383 C4* G B2819 -847.782-110.658 143.715 1.00858.68 C ATOM 59384 O4* G B2819 -849.133-110.812 143.218 1.00858.68 O ATOM 59385 C3* G B2819 -847.334-109.304 143.201 1.00858.68 C ATOM 59386 O3* G B2819 -845.913-109.281 143.088 1.00858.68 O ATOM 59387 C2* G B2819 -848.025-109.206 141.846 1.00858.68 C ATOM 59388 O2* G B2819 -847.297-109.854 140.819 1.00858.68 O ATOM 59389 C1* G B2819 -849.332-109.959 142.105 1.00858.68 C ATOM 59390 N9 G B2819 -850.458-109.083 142.412 1.00858.68 N ATOM 59391 C8 G B2819 -850.929-108.766 143.662 1.00858.68 C ATOM 59392 N7 G B2819 -851.961-107.966 143.636 1.00858.68 N ATOM 59393 C5 G B2819 -852.180-107.734 142.285 1.00858.68 C ATOM 59394 C6 G B2819 -853.164-106.944 141.639 1.00858.68 C ATOM 59395 O6 G B2819 -854.066-106.267 142.146 1.00858.68 O ATOM 59396 N1 G B2819 -853.025-106.990 140.253 1.00858.68 N ATOM 59397 C2 G B2819 -852.067-107.705 139.578 1.00858.68 C ATOM 59398 N2 G B2819 -852.097-107.614 138.241 1.00858.68 N ATOM 59399 N3 G B2819 -851.146-108.449 140.170 1.00858.68 N ATOM 59400 C4 G B2819 -851.261-108.417 141.514 1.00858.68 C ATOM 59401 P C B2820 -845.134-107.875 143.069 1.00858.68 P ATOM 59402 O1P C B2820 -843.943-108.039 142.199 1.00858.68 O ATOM 59403 O2P C B2820 -844.960-107.414 144.470 1.00858.68 O ATOM 59404 O5* C B2820 -846.144-106.880 142.341 1.00858.68 O ATOM 59405 C5* C B2820 -846.098-106.686 140.929 1.00858.68 C ATOM 59406 C4* C B2820 -846.901-105.466 140.550 1.00858.68 C ATOM 59407 O4* C B2820 -848.294-105.712 140.871 1.00858.68 O ATOM 59408 C3* C B2820 -846.539-104.251 141.365 1.00858.68 C ATOM 59409 O3* C B2820 -845.454-103.542 140.776 1.00858.68 O ATOM 59410 C2* C B2820 -847.824-103.431 141.373 1.00858.68 C ATOM 59411 O2* C B2820 -847.956-102.621 140.224 1.00858.68 O ATOM 59412 C1* C B2820 -848.893-104.523 141.359 1.00858.68 C ATOM 59413 N1 C B2820 -849.456-104.811 142.686 1.00858.68 N ATOM 59414 C2 C B2820 -850.811-104.568 142.913 1.00858.68 C ATOM 59415 O2 C B2820 -851.501-104.115 141.990 1.00858.68 O ATOM 59416 N3 C B2820 -851.334-104.834 144.133 1.00858.68 N ATOM 59417 C4 C B2820 -850.558-105.322 145.100 1.00858.68 C ATOM 59418 N4 C B2820 -851.122-105.570 146.287 1.00858.68 N ATOM 59419 C5 C B2820 -849.171-105.576 144.897 1.00858.68 C ATOM 59420 C6 C B2820 -848.666-105.309 143.686 1.00858.68 C ATOM 59421 P G B2821 -843.946-104.033 141.039 1.00858.68 P ATOM 59422 O1P G B2821 -843.399-104.501 139.737 1.00858.68 O ATOM 59423 O2P G B2821 -843.946-104.953 142.203 1.00858.68 O ATOM 59424 O5* G B2821 -843.178-102.700 141.450 1.00858.68 O ATOM 59425 C5* G B2821 -843.154-101.574 140.578 1.00858.68 C ATOM 59426 C4* G B2821 -843.729-100.359 141.269 1.00858.68 C ATOM 59427 O4* G B2821 -845.136-100.566 141.572 1.00858.68 O ATOM 59428 C3* G B2821 -843.076-100.030 142.601 1.00858.68 C ATOM 59429 O3* G B2821 -841.912 -99.245 142.412 1.00858.68 O ATOM 59430 C2* G B2821 -844.183 -99.295 143.351 1.00858.68 C ATOM 59431 O2* G B2821 -844.257 -97.924 143.016 1.00858.68 O ATOM 59432 C1* G B2821 -845.431-100.018 142.853 1.00858.68 C ATOM 59433 N9 G B2821 -845.824-101.111 143.740 1.00858.68 N ATOM 59434 C8 G B2821 -845.301-102.380 143.765 1.00858.68 C ATOM 59435 N7 G B2821 -845.848-103.141 144.671 1.00858.68 N ATOM 59436 C5 G B2821 -846.794-102.327 145.282 1.00858.68 C ATOM 59437 C6 G B2821 -847.701-102.605 146.336 1.00858.68 C ATOM 59438 O6 G B2821 -847.859-103.664 146.957 1.00858.68 O ATOM 59439 N1 G B2821 -848.478-101.494 146.649 1.00858.68 N ATOM 59440 C2 G B2821 -848.392-100.273 146.027 1.00858.68 C ATOM 59441 N2 G B2821 -849.226 -99.326 146.485 1.00858.68 N ATOM 59442 N3 G B2821 -847.556-100.001 145.038 1.00858.68 N ATOM 59443 C4 G B2821 -846.789-101.068 144.717 1.00858.68 C ATOM 59444 P U B2822 -840.900 -99.041 143.642 1.00858.68 P ATOM 59445 O1P U B2822 -839.679 -98.364 143.168 1.00858.68 O ATOM 59446 O2P U B2822 -840.772-100.359 144.298 1.00858.68 O ATOM 59447 O5* U B2822 -841.689 -98.071 144.636 1.00858.68 O ATOM 59448 C5* U B2822 -841.796 -96.673 144.379 1.00858.68 C ATOM 59449 C4* U B2822 -842.303 -95.962 145.615 1.00858.68 C ATOM 59450 O4* U B2822 -843.660 -96.387 145.883 1.00858.68 O ATOM 59451 C3* U B2822 -841.558 -96.234 146.916 1.00858.68 C ATOM 59452 O3* U B2822 -840.429 -95.385 147.073 1.00858.68 O ATOM 59453 C2* U B2822 -842.610 -95.935 147.977 1.00858.68 C ATOM 59454 O2* U B2822 -842.672 -94.557 148.273 1.00858.68 O ATOM 59455 C1* U B2822 -843.900 -96.374 147.280 1.00858.68 C ATOM 59456 N1 U B2822 -844.339 -97.723 147.669 1.00858.68 N ATOM 59457 C2 U B2822 -845.179 -97.845 148.765 1.00858.68 C ATOM 59458 O2 U B2822 -845.556 -96.888 149.422 1.00858.68 O ATOM 59459 N3 U B2822 -845.564 -99.129 149.060 1.00858.68 N ATOM 59460 C4 U B2822 -845.197-100.280 148.377 1.00858.68 C ATOM 59461 O4 U B2822 -845.672-101.365 148.717 1.00858.68 O ATOM 59462 C5 U B2822 -844.319-100.065 147.269 1.00858.68 C ATOM 59463 C6 U B2822 -843.930 -98.828 146.963 1.00858.68 C ATOM 59464 P G B2823 -839.001 -96.025 147.419 1.00858.68 P ATOM 59465 O1P G B2823 -838.467 -95.315 148.612 1.00858.68 O ATOM 59466 O2P G B2823 -838.203 -96.056 146.168 1.00858.68 O ATOM 59467 O5* G B2823 -839.322 -97.529 147.839 1.00858.68 O ATOM 59468 C5* G B2823 -838.520 -98.211 148.798 1.00858.68 C ATOM 59469 C4* G B2823 -839.359 -99.207 149.563 1.00858.68 C ATOM 59470 O4* G B2823 -839.951-100.138 148.632 1.00858.68 O ATOM 59471 C3* G B2823 -838.640-100.094 150.579 1.00858.68 C ATOM 59472 O3* G B2823 -838.445 -99.409 151.821 1.00858.68 O ATOM 59473 C2* G B2823 -839.546-101.321 150.678 1.00858.68 C ATOM 59474 O2* G B2823 -840.579-101.184 151.629 1.00858.68 O ATOM 59475 C1* G B2823 -840.171-101.374 149.281 1.00858.68 C ATOM 59476 N9 G B2823 -839.726-102.445 148.397 1.00858.68 N ATOM 59477 C8 G B2823 -838.514-102.592 147.768 1.00858.68 C ATOM 59478 N7 G B2823 -838.448-103.662 147.022 1.00858.68 N ATOM 59479 C5 G B2823 -839.695-104.256 147.172 1.00858.68 C ATOM 59480 C6 G B2823 -840.229-105.448 146.603 1.00858.68 C ATOM 59481 O6 G B2823 -839.686-106.240 145.824 1.00858.68 O ATOM 59482 N1 G B2823 -841.534-105.672 147.031 1.00858.68 N ATOM 59483 C2 G B2823 -842.240-104.859 147.889 1.00858.68 C ATOM 59484 N2 G B2823 -843.494-105.233 148.187 1.00858.68 N ATOM 59485 N3 G B2823 -841.756-103.756 148.418 1.00858.68 N ATOM 59486 C4 G B2823 -840.490-103.519 148.023 1.00858.68 C ATOM 59487 P C B2824 -837.504-100.042 152.966 1.00858.68 P ATOM 59488 O1P C B2824 -836.385 -99.082 153.171 1.00858.68 O ATOM 59489 O2P C B2824 -837.201-101.456 152.638 1.00858.68 O ATOM 59490 O5* C B2824 -838.416-100.001 154.268 1.00858.68 O ATOM 59491 C5* C B2824 -839.828 -99.844 154.156 1.00858.68 C ATOM 59492 C4* C B2824 -840.553-101.017 154.776 1.00858.68 C ATOM 59493 O4* C B2824 -839.851-102.240 154.436 1.00858.68 O ATOM 59494 C3* C B2824 -840.598-101.066 156.277 1.00858.68 C ATOM 59495 O3* C B2824 -841.624-100.159 156.697 1.00858.68 O ATOM 59496 C2* C B2824 -840.825-102.546 156.585 1.00858.68 C ATOM 59497 O2* C B2824 -842.185-102.926 156.532 1.00858.68 O ATOM 59498 C1* C B2824 -840.082-103.221 155.429 1.00858.68 C ATOM 59499 N1 C B2824 -838.782-103.799 155.810 1.00858.68 N ATOM 59500 C2 C B2824 -838.297-104.900 155.095 1.00858.68 C ATOM 59501 O2 C B2824 -838.976-105.358 154.168 1.00858.68 O ATOM 59502 N3 C B2824 -837.101-105.433 155.434 1.00858.68 N ATOM 59503 C4 C B2824 -836.399-104.908 156.441 1.00858.68 C ATOM 59504 N4 C B2824 -835.222-105.463 156.739 1.00858.68 N ATOM 59505 C5 C B2824 -836.871-103.790 157.187 1.00858.68 C ATOM 59506 C6 C B2824 -838.056-103.274 156.840 1.00858.68 C ATOM 59507 P A B2825 -841.903 -99.883 158.258 1.00858.68 P ATOM 59508 O1P A B2825 -840.703 -99.179 158.781 1.00858.68 O ATOM 59509 O2P A B2825 -842.388-101.101 158.957 1.00858.68 O ATOM 59510 O5* A B2825 -843.081 -98.814 158.209 1.00858.68 O ATOM 59511 C5* A B2825 -842.973 -97.672 157.358 1.00858.68 C ATOM 59512 C4* A B2825 -844.318 -97.009 157.186 1.00858.68 C ATOM 59513 O4* A B2825 -845.253 -97.935 156.587 1.00858.68 O ATOM 59514 C3* A B2825 -844.971 -96.553 158.476 1.00858.68 C ATOM 59515 O3* A B2825 -844.502 -95.258 158.838 1.00858.68 O ATOM 59516 C2* A B2825 -846.456 -96.571 158.123 1.00858.68 C ATOM 59517 O2* A B2825 -846.869 -95.393 157.461 1.00858.68 O ATOM 59518 C1* A B2825 -846.535 -97.756 157.161 1.00858.68 C ATOM 59519 N9 A B2825 -846.907 -99.013 157.816 1.00858.68 N ATOM 59520 C8 A B2825 -846.094-100.094 158.049 1.00858.68 C ATOM 59521 N7 A B2825 -846.692-101.082 158.668 1.00858.68 N ATOM 59522 C5 A B2825 -847.988-100.621 158.857 1.00858.68 C ATOM 59523 C6 A B2825 -849.118-101.196 159.464 1.00858.68 C ATOM 59524 N6 A B2825 -849.122-102.410 160.019 1.00858.68 N ATOM 59525 N1 A B2825 -850.256-100.472 159.485 1.00858.68 N ATOM 59526 C2 A B2825 -850.248 -99.256 158.932 1.00858.68 C ATOM 59527 N3 A B2825 -849.253 -98.606 158.334 1.00858.68 N ATOM 59528 C4 A B2825 -848.135 -99.349 158.329 1.00858.68 C ATOM 59529 P C B2826 -844.207 -94.919 160.383 1.00858.68 P ATOM 59530 O1P C B2826 -843.906 -93.469 160.482 1.00858.68 O ATOM 59531 O2P C B2826 -843.230 -95.909 160.902 1.00858.68 O ATOM 59532 O5* C B2826 -845.598 -95.177 161.108 1.00858.68 O ATOM 59533 C5* C B2826 -846.625 -94.189 161.108 1.00858.68 C ATOM 59534 C4* C B2826 -847.672 -94.561 162.120 1.00858.68 C ATOM 59535 O4* C B2826 -848.265 -95.805 161.678 1.00858.68 O ATOM 59536 C3* C B2826 -847.223 -94.901 163.532 1.00858.68 C ATOM 59537 O3* C B2826 -847.077 -93.736 164.319 1.00858.68 O ATOM 59538 C2* C B2826 -848.344 -95.776 164.059 1.00858.68 C ATOM 59539 O2* C B2826 -849.446 -95.026 164.533 1.00858.68 O ATOM 59540 C1* C B2826 -848.751 -96.517 162.796 1.00858.68 C ATOM 59541 N1 C B2826 -848.299 -97.919 162.690 1.00858.68 N ATOM 59542 C2 C B2826 -849.062 -98.945 163.282 1.00858.68 C ATOM 59543 O2 C B2826 -850.044 -98.647 163.976 1.00858.68 O ATOM 59544 N3 C B2826 -848.701-100.230 163.083 1.00858.68 N ATOM 59545 C4 C B2826 -847.618-100.514 162.366 1.00858.68 C ATOM 59546 N4 C B2826 -847.319-101.800 162.175 1.00858.68 N ATOM 59547 C5 C B2826 -846.794 -99.498 161.806 1.00858.68 C ATOM 59548 C6 C B2826 -847.169 -98.227 161.989 1.00858.68 C ATOM 59549 P G B2827 -846.048 -93.753 165.548 1.00858.68 P ATOM 59550 O1P G B2827 -845.968 -92.372 166.089 1.00858.68 O ATOM 59551 O2P G B2827 -844.815 -94.440 165.093 1.00858.68 O ATOM 59552 O5* G B2827 -846.767 -94.671 166.637 1.00858.68 O ATOM 59553 C5* G B2827 -848.033 -94.311 167.180 1.00858.68 C ATOM 59554 C4* G B2827 -848.547 -95.401 168.090 1.00858.68 C ATOM 59555 O4* G B2827 -848.585 -96.673 167.390 1.00858.68 O ATOM 59556 C3* G B2827 -847.700 -95.653 169.322 1.00858.68 C ATOM 59557 O3* G B2827 -848.046 -94.757 170.367 1.00858.68 O ATOM 59558 C2* G B2827 -848.020 -97.106 169.665 1.00858.68 C ATOM 59559 O2* G B2827 -849.207 -97.242 170.414 1.00858.68 O ATOM 59560 C1* G B2827 -848.216 -97.718 168.275 1.00858.68 C ATOM 59561 N9 G B2827 -846.999 -98.344 167.771 1.00858.68 N ATOM 59562 C8 G B2827 -845.769 -97.751 167.601 1.00858.68 C ATOM 59563 N7 G B2827 -844.868 -98.570 167.129 1.00858.68 N ATOM 59564 C5 G B2827 -845.539 -99.775 166.981 1.00858.68 C ATOM 59565 C6 G B2827 -845.081-101.030 166.508 1.00858.68 C ATOM 59566 O6 G B2827 -843.948-101.337 166.111 1.00858.68 O ATOM 59567 N1 G B2827 -846.092-101.984 166.521 1.00858.68 N ATOM 59568 C2 G B2827 -847.384-101.760 166.936 1.00858.68 C ATOM 59569 N2 G B2827 -848.213-102.811 166.878 1.00858.68 N ATOM 59570 N3 G B2827 -847.825-100.592 167.377 1.00858.68 N ATOM 59571 C4 G B2827 -846.857 -99.653 167.372 1.00858.68 C ATOM 59572 P C B2828 -846.878 -93.970 171.140 1.00858.68 P ATOM 59573 O1P C B2828 -847.498 -93.257 172.288 1.00858.68 O ATOM 59574 O2P C B2828 -846.091 -93.208 170.143 1.00858.68 O ATOM 59575 O5* C B2828 -845.964 -95.136 171.718 1.00858.68 O ATOM 59576 C5* C B2828 -846.471 -96.042 172.694 1.00858.68 C ATOM 59577 C4* C B2828 -845.442 -97.102 173.010 1.00858.68 C ATOM 59578 O4* C B2828 -845.164 -97.884 171.819 1.00858.68 O ATOM 59579 C3* C B2828 -844.059 -96.652 173.426 1.00858.68 C ATOM 59580 O3* C B2828 -844.053 -96.267 174.794 1.00858.68 O ATOM 59581 C2* C B2828 -843.196 -97.875 173.156 1.00858.68 C ATOM 59582 O2* C B2828 -843.231 -98.814 174.214 1.00858.68 O ATOM 59583 C1* C B2828 -843.877 -98.469 171.920 1.00858.68 C ATOM 59584 N1 C B2828 -843.130 -98.162 170.691 1.00858.68 N ATOM 59585 C2 C B2828 -842.203 -99.094 170.215 1.00858.68 C ATOM 59586 O2 C B2828 -842.065-100.167 170.824 1.00858.68 O ATOM 59587 N3 C B2828 -841.486 -98.803 169.106 1.00858.68 N ATOM 59588 C4 C B2828 -841.676 -97.639 168.475 1.00858.68 C ATOM 59589 N4 C B2828 -840.943 -97.393 167.386 1.00858.68 N ATOM 59590 C5 C B2828 -842.621 -96.681 168.931 1.00858.68 C ATOM 59591 C6 C B2828 -843.324 -96.985 170.030 1.00858.68 C ATOM 59592 P A B2829 -842.812 -95.422 175.369 1.00858.68 P ATOM 59593 O1P A B2829 -843.112 -95.071 176.778 1.00858.68 O ATOM 59594 O2P A B2829 -842.491 -94.349 174.393 1.00858.68 O ATOM 59595 O5* A B2829 -841.615 -96.469 175.361 1.00858.68 O ATOM 59596 C5* A B2829 -841.552 -97.510 176.330 1.00858.68 C ATOM 59597 C4* A B2829 -840.302 -98.326 176.138 1.00858.68 C ATOM 59598 O4* A B2829 -840.422 -99.135 174.939 1.00858.68 O ATOM 59599 C3* A B2829 -839.004 -97.571 175.922 1.00858.68 C ATOM 59600 O3* A B2829 -838.472 -97.095 177.150 1.00858.68 O ATOM 59601 C2* A B2829 -838.118 -98.608 175.244 1.00858.68 C ATOM 59602 O2* A B2829 -837.510 -99.492 176.164 1.00858.68 O ATOM 59603 C1* A B2829 -839.135 -99.368 174.387 1.00858.68 C ATOM 59604 N9 A B2829 -839.147 -98.893 173.003 1.00858.68 N ATOM 59605 C8 A B2829 -839.775 -97.779 172.504 1.00858.68 C ATOM 59606 N7 A B2829 -839.592 -97.603 171.216 1.00858.68 N ATOM 59607 C5 A B2829 -838.793 -98.674 170.843 1.00858.68 C ATOM 59608 C6 A B2829 -838.246 -99.059 169.607 1.00858.68 C ATOM 59609 N6 A B2829 -838.430 -98.383 168.469 1.00858.68 N ATOM 59610 N1 A B2829 -837.491-100.181 169.575 1.00858.68 N ATOM 59611 C2 A B2829 -837.307-100.858 170.717 1.00858.68 C ATOM 59612 N3 A B2829 -837.767-100.598 171.935 1.00858.68 N ATOM 59613 C4 A B2829 -838.512 -99.477 171.932 1.00858.68 C ATOM 59614 P U B2830 -837.596 -95.746 177.157 1.00858.68 P ATOM 59615 O1P U B2830 -837.484 -95.289 178.566 1.00858.68 O ATOM 59616 O2P U B2830 -838.153 -94.828 176.130 1.00858.68 O ATOM 59617 O5* U B2830 -836.162 -96.228 176.662 1.00858.68 O ATOM 59618 C5* U B2830 -835.527 -97.355 177.262 1.00858.68 C ATOM 59619 C4* U B2830 -834.476 -97.923 176.337 1.00858.68 C ATOM 59620 O4* U B2830 -835.083 -98.332 175.080 1.00858.68 O ATOM 59621 C3* U B2830 -833.351 -96.991 175.937 1.00858.68 C ATOM 59622 O3* U B2830 -832.346 -97.002 176.942 1.00858.68 O ATOM 59623 C2* U B2830 -832.866 -97.587 174.620 1.00858.68 C ATOM 59624 O2* U B2830 -831.963 -98.658 174.817 1.00858.68 O ATOM 59625 C1* U B2830 -834.164 -98.125 174.017 1.00858.68 C ATOM 59626 N1 U B2830 -834.783 -97.208 173.043 1.00858.68 N ATOM 59627 C2 U B2830 -834.224 -97.115 171.768 1.00858.68 C ATOM 59628 O2 U B2830 -833.248 -97.756 171.414 1.00858.68 O ATOM 59629 N3 U B2830 -834.856 -96.238 170.922 1.00858.68 N ATOM 59630 C4 U B2830 -835.965 -95.462 171.210 1.00858.68 C ATOM 59631 O4 U B2830 -836.428 -94.718 170.342 1.00858.68 O ATOM 59632 C5 U B2830 -836.479 -95.618 172.540 1.00858.68 C ATOM 59633 C6 U B2830 -835.885 -96.463 173.385 1.00858.68 C ATOM 59634 P A B2831 -831.438 -95.696 177.170 1.00858.68 P ATOM 59635 O1P A B2831 -830.739 -95.861 178.470 1.00858.68 O ATOM 59636 O2P A B2831 -832.283 -94.498 176.937 1.00858.68 O ATOM 59637 O5* A B2831 -830.354 -95.776 176.007 1.00858.68 O ATOM 59638 C5* A B2831 -829.468 -96.886 175.918 1.00858.68 C ATOM 59639 C4* A B2831 -828.391 -96.622 174.892 1.00858.68 C ATOM 59640 O4* A B2831 -828.973 -96.545 173.566 1.00858.68 O ATOM 59641 C3* A B2831 -827.637 -95.317 175.068 1.00858.68 C ATOM 59642 O3* A B2831 -826.574 -95.449 176.005 1.00858.68 O ATOM 59643 C2* A B2831 -827.137 -95.027 173.658 1.00858.68 C ATOM 59644 O2* A B2831 -825.941 -95.715 173.352 1.00858.68 O ATOM 59645 C1* A B2831 -828.279 -95.571 172.801 1.00858.68 C ATOM 59646 N9 A B2831 -829.225 -94.526 172.412 1.00858.68 N ATOM 59647 C8 A B2831 -830.197 -93.929 173.178 1.00858.68 C ATOM 59648 N7 A B2831 -830.873 -93.002 172.541 1.00858.68 N ATOM 59649 C5 A B2831 -830.310 -92.989 171.272 1.00858.68 C ATOM 59650 C6 A B2831 -830.576 -92.223 170.124 1.00858.68 C ATOM 59651 N6 A B2831 -831.518 -91.277 170.070 1.00858.68 N ATOM 59652 N1 A B2831 -829.837 -92.463 169.023 1.00858.68 N ATOM 59653 C2 A B2831 -828.891 -93.407 169.079 1.00858.68 C ATOM 59654 N3 A B2831 -828.542 -94.189 170.099 1.00858.68 N ATOM 59655 C4 A B2831 -829.298 -93.927 171.180 1.00858.68 C ATOM 59656 P G B2832 -826.667 -94.701 177.424 1.00858.68 P ATOM 59657 O1P G B2832 -825.412 -94.975 178.164 1.00858.68 O ATOM 59658 O2P G B2832 -827.976 -95.044 178.040 1.00858.68 O ATOM 59659 O5* G B2832 -826.696 -93.154 177.045 1.00858.68 O ATOM 59660 C5* G B2832 -825.757 -92.608 176.120 1.00858.68 C ATOM 59661 C4* G B2832 -826.427 -91.569 175.252 1.00858.68 C ATOM 59662 O4* G B2832 -827.658 -92.125 174.722 1.00858.68 O ATOM 59663 C3* G B2832 -826.883 -90.287 175.922 1.00858.68 C ATOM 59664 O3* G B2832 -825.809 -89.368 176.084 1.00858.68 O ATOM 59665 C2* G B2832 -827.957 -89.778 174.975 1.00858.68 C ATOM 59666 O2* G B2832 -827.422 -89.090 173.862 1.00858.68 O ATOM 59667 C1* G B2832 -828.601 -91.085 174.515 1.00858.68 C ATOM 59668 N9 G B2832 -829.783 -91.400 175.310 1.00858.68 N ATOM 59669 C8 G B2832 -829.811 -92.059 176.518 1.00858.68 C ATOM 59670 N7 G B2832 -831.015 -92.165 177.015 1.00858.68 N ATOM 59671 C5 G B2832 -831.829 -91.543 176.076 1.00858.68 C ATOM 59672 C6 G B2832 -833.233 -91.341 176.066 1.00858.68 C ATOM 59673 O6 G B2832 -834.064 -91.678 176.921 1.00858.68 O ATOM 59674 N1 G B2832 -833.644 -90.668 174.923 1.00858.68 N ATOM 59675 C2 G B2832 -832.814 -90.245 173.915 1.00858.68 C ATOM 59676 N2 G B2832 -833.405 -89.614 172.888 1.00858.68 N ATOM 59677 N3 G B2832 -831.505 -90.424 173.911 1.00858.68 N ATOM 59678 C4 G B2832 -831.083 -91.076 175.014 1.00858.68 C ATOM 59679 P C B2833 -826.069 -87.985 176.865 1.00858.68 P ATOM 59680 O1P C B2833 -824.757 -87.305 177.020 1.00858.68 O ATOM 59681 O2P C B2833 -826.889 -88.281 178.069 1.00858.68 O ATOM 59682 O5* C B2833 -826.954 -87.125 175.858 1.00858.68 O ATOM 59683 C5* C B2833 -827.561 -85.907 176.280 1.00858.68 C ATOM 59684 C4* C B2833 -827.840 -85.018 175.089 1.00858.68 C ATOM 59685 O4* C B2833 -826.593 -84.655 174.453 1.00858.68 O ATOM 59686 C3* C B2833 -828.691 -85.651 173.980 1.00858.68 C ATOM 59687 O3* C B2833 -830.090 -85.514 174.205 1.00858.68 O ATOM 59688 C2* C B2833 -828.250 -84.872 172.740 1.00858.68 C ATOM 59689 O2* C B2833 -828.954 -83.657 172.587 1.00858.68 O ATOM 59690 C1* C B2833 -826.783 -84.560 173.055 1.00858.68 C ATOM 59691 N1 C B2833 -825.792 -85.419 172.384 1.00858.68 N ATOM 59692 C2 C B2833 -824.687 -84.812 171.786 1.00858.68 C ATOM 59693 O2 C B2833 -824.586 -83.578 171.820 1.00858.68 O ATOM 59694 N3 C B2833 -823.749 -85.587 171.189 1.00858.68 N ATOM 59695 C4 C B2833 -823.890 -86.914 171.172 1.00858.68 C ATOM 59696 N4 C B2833 -822.938 -87.633 170.581 1.00858.68 N ATOM 59697 C5 C B2833 -825.017 -87.556 171.766 1.00858.68 C ATOM 59698 C6 C B2833 -825.936 -86.778 172.355 1.00858.68 C ATOM 59699 P A B2834 -831.061 -86.783 174.023 1.00858.68 P ATOM 59700 O1P A B2834 -832.393 -86.396 174.564 1.00858.68 O ATOM 59701 O2P A B2834 -830.369 -87.975 174.563 1.00858.68 O ATOM 59702 O5* A B2834 -831.202 -86.943 172.444 1.00858.68 O ATOM 59703 C5* A B2834 -831.352 -85.800 171.608 1.00858.68 C ATOM 59704 C4* A B2834 -830.687 -86.042 170.272 1.00858.68 C ATOM 59705 O4* A B2834 -829.315 -86.452 170.499 1.00858.68 O ATOM 59706 C3* A B2834 -831.283 -87.152 169.438 1.00858.68 C ATOM 59707 O3* A B2834 -832.360 -86.627 168.674 1.00858.68 O ATOM 59708 C2* A B2834 -830.113 -87.588 168.568 1.00858.68 C ATOM 59709 O2* A B2834 -829.944 -86.765 167.432 1.00858.68 O ATOM 59710 C1* A B2834 -828.929 -87.396 169.518 1.00858.68 C ATOM 59711 N9 A B2834 -828.565 -88.637 170.204 1.00858.68 N ATOM 59712 C8 A B2834 -829.238 -89.255 171.228 1.00858.68 C ATOM 59713 N7 A B2834 -828.684 -90.373 171.630 1.00858.68 N ATOM 59714 C5 A B2834 -827.567 -90.497 170.818 1.00858.68 C ATOM 59715 C6 A B2834 -826.557 -91.476 170.740 1.00858.68 C ATOM 59716 N6 A B2834 -826.513 -92.556 171.518 1.00858.68 N ATOM 59717 N1 A B2834 -825.586 -91.303 169.817 1.00858.68 N ATOM 59718 C2 A B2834 -825.631 -90.220 169.037 1.00858.68 C ATOM 59719 N3 A B2834 -826.523 -89.233 169.011 1.00858.68 N ATOM 59720 C4 A B2834 -827.477 -89.434 169.938 1.00858.68 C ATOM 59721 P A B2835 -833.041 -87.535 167.538 1.00858.68 P ATOM 59722 O1P A B2835 -834.484 -87.183 167.474 1.00858.68 O ATOM 59723 O2P A B2835 -832.643 -88.948 167.766 1.00858.68 O ATOM 59724 O5* A B2835 -832.355 -87.042 166.188 1.00858.68 O ATOM 59725 C5* A B2835 -832.470 -85.692 165.748 1.00858.68 C ATOM 59726 C4* A B2835 -831.549 -85.464 164.575 1.00858.68 C ATOM 59727 O4* A B2835 -830.181 -85.684 165.003 1.00858.68 O ATOM 59728 C3* A B2835 -831.706 -86.375 163.388 1.00858.68 C ATOM 59729 O3* A B2835 -832.770 -85.886 162.576 1.00858.68 O ATOM 59730 C2* A B2835 -830.340 -86.322 162.711 1.00858.68 C ATOM 59731 O2* A B2835 -830.205 -85.219 161.838 1.00858.68 O ATOM 59732 C1* A B2835 -829.407 -86.149 163.913 1.00858.68 C ATOM 59733 N9 A B2835 -828.761 -87.387 164.350 1.00858.68 N ATOM 59734 C8 A B2835 -829.377 -88.559 164.718 1.00858.68 C ATOM 59735 N7 A B2835 -828.549 -89.496 165.099 1.00858.68 N ATOM 59736 C5 A B2835 -827.297 -88.910 164.969 1.00858.68 C ATOM 59737 C6 A B2835 -825.998 -89.384 165.224 1.00858.68 C ATOM 59738 N6 A B2835 -825.737 -90.608 165.683 1.00858.68 N ATOM 59739 N1 A B2835 -824.968 -88.544 164.990 1.00858.68 N ATOM 59740 C2 A B2835 -825.236 -87.311 164.533 1.00858.68 C ATOM 59741 N3 A B2835 -826.410 -86.751 164.256 1.00858.68 N ATOM 59742 C4 A B2835 -827.414 -87.612 164.499 1.00858.68 C ATOM 59743 P U B2836 -833.842 -86.912 161.964 1.00858.68 P ATOM 59744 O1P U B2836 -834.481 -86.251 160.802 1.00858.68 O ATOM 59745 O2P U B2836 -834.687 -87.420 163.076 1.00858.68 O ATOM 59746 O5* U B2836 -832.944 -88.112 161.427 1.00858.68 O ATOM 59747 C5* U B2836 -833.472 -89.425 161.305 1.00858.68 C ATOM 59748 C4* U B2836 -832.363 -90.441 161.428 1.00858.68 C ATOM 59749 O4* U B2836 -831.669 -90.235 162.686 1.00858.68 O ATOM 59750 C3* U B2836 -832.789 -91.903 161.463 1.00858.68 C ATOM 59751 O3* U B2836 -832.967 -92.441 160.158 1.00858.68 O ATOM 59752 C2* U B2836 -831.642 -92.571 162.211 1.00858.68 C ATOM 59753 O2* U B2836 -830.546 -92.868 161.366 1.00858.68 O ATOM 59754 C1* U B2836 -831.234 -91.479 163.202 1.00858.68 C ATOM 59755 N1 U B2836 -831.822 -91.644 164.541 1.00858.68 N ATOM 59756 C2 U B2836 -831.046 -92.228 165.525 1.00858.68 C ATOM 59757 O2 U B2836 -829.910 -92.623 165.328 1.00858.68 O ATOM 59758 N3 U B2836 -831.655 -92.333 166.754 1.00858.68 N ATOM 59759 C4 U B2836 -832.930 -91.921 167.087 1.00858.68 C ATOM 59760 O4 U B2836 -833.328 -92.061 168.244 1.00858.68 O ATOM 59761 C5 U B2836 -833.667 -91.335 166.013 1.00858.68 C ATOM 59762 C6 U B2836 -833.103 -91.218 164.806 1.00858.68 C ATOM 59763 P G B2837 -833.916 -93.722 159.948 1.00858.68 P ATOM 59764 O1P G B2837 -833.931 -94.037 158.497 1.00858.68 O ATOM 59765 O2P G B2837 -835.199 -93.477 160.656 1.00858.68 O ATOM 59766 O5* G B2837 -833.150 -94.893 160.702 1.00858.68 O ATOM 59767 C5* G B2837 -831.893 -95.372 160.233 1.00858.68 C ATOM 59768 C4* G B2837 -831.397 -96.466 161.140 1.00858.68 C ATOM 59769 O4* G B2837 -831.085 -95.899 162.438 1.00858.68 O ATOM 59770 C3* G B2837 -832.352 -97.581 161.505 1.00858.68 C ATOM 59771 O3* G B2837 -832.420 -98.519 160.442 1.00858.68 O ATOM 59772 C2* G B2837 -831.759 -98.157 162.786 1.00858.68 C ATOM 59773 O2* G B2837 -830.747 -99.112 162.533 1.00858.68 O ATOM 59774 C1* G B2837 -831.153 -96.906 163.433 1.00858.68 C ATOM 59775 N9 G B2837 -831.957 -96.391 164.538 1.00858.68 N ATOM 59776 C8 G B2837 -833.116 -95.656 164.445 1.00858.68 C ATOM 59777 N7 G B2837 -833.621 -95.346 165.612 1.00858.68 N ATOM 59778 C5 G B2837 -832.742 -95.909 166.528 1.00858.68 C ATOM 59779 C6 G B2837 -832.761 -95.914 167.965 1.00858.68 C ATOM 59780 O6 G B2837 -833.581 -95.407 168.743 1.00858.68 O ATOM 59781 N1 G B2837 -831.675 -96.606 168.480 1.00858.68 N ATOM 59782 C2 G B2837 -830.698 -97.214 167.737 1.00858.68 C ATOM 59783 N2 G B2837 -829.734 -97.828 168.433 1.00858.68 N ATOM 59784 N3 G B2837 -830.666 -97.221 166.415 1.00858.68 N ATOM 59785 C4 G B2837 -831.709 -96.556 165.880 1.00858.68 C ATOM 59786 P U B2838 -833.758 -99.380 160.229 1.00858.68 P ATOM 59787 O1P U B2838 -833.775 -99.853 158.821 1.00858.68 O ATOM 59788 O2P U B2838 -834.905 -98.598 160.756 1.00858.68 O ATOM 59789 O5* U B2838 -833.543-100.647 161.171 1.00858.68 O ATOM 59790 C5* U B2838 -832.291-101.323 161.206 1.00858.68 C ATOM 59791 C4* U B2838 -832.135-102.080 162.500 1.00858.68 C ATOM 59792 O4* U B2838 -832.147-101.153 163.617 1.00858.68 O ATOM 59793 C3* U B2838 -833.261-103.051 162.794 1.00858.68 C ATOM 59794 O3* U B2838 -833.031-104.307 162.166 1.00858.68 O ATOM 59795 C2* U B2838 -833.224-103.158 164.317 1.00858.68 C ATOM 59796 O2* U B2838 -832.254-104.079 164.773 1.00858.68 O ATOM 59797 C1* U B2838 -832.815-101.741 164.718 1.00858.68 C ATOM 59798 N1 U B2838 -833.970-100.903 165.067 1.00858.68 N ATOM 59799 C2 U B2838 -834.342-100.851 166.398 1.00858.68 C ATOM 59800 O2 U B2838 -833.750-101.457 167.272 1.00858.68 O ATOM 59801 N3 U B2838 -835.437-100.067 166.662 1.00858.68 N ATOM 59802 C4 U B2838 -836.181 -99.342 165.755 1.00858.68 C ATOM 59803 O4 U B2838 -837.143 -98.684 166.149 1.00858.68 O ATOM 59804 C5 U B2838 -835.728 -99.443 164.401 1.00858.68 C ATOM 59805 C6 U B2838 -834.663-100.201 164.111 1.00858.68 C ATOM 59806 P G B2839 -834.238-105.037 161.398 1.00858.68 P ATOM 59807 O1P G B2839 -833.733-106.345 160.908 1.00858.68 O ATOM 59808 O2P G B2839 -834.833-104.073 160.436 1.00858.68 O ATOM 59809 O5* G B2839 -835.304-105.317 162.551 1.00858.68 O ATOM 59810 C5* G B2839 -834.966-106.133 163.667 1.00858.68 C ATOM 59811 C4* G B2839 -836.192-106.415 164.504 1.00858.68 C ATOM 59812 O4* G B2839 -836.417-105.348 165.458 1.00858.68 O ATOM 59813 C3* G B2839 -837.511-106.547 163.761 1.00858.68 C ATOM 59814 O3* G B2839 -837.659-107.848 163.205 1.00858.68 O ATOM 59815 C2* G B2839 -838.540-106.256 164.850 1.00858.68 C ATOM 59816 O2* G B2839 -838.845-107.398 165.626 1.00858.68 O ATOM 59817 C1* G B2839 -837.803-105.234 165.724 1.00858.68 C ATOM 59818 N9 G B2839 -838.200-103.847 165.496 1.00858.68 N ATOM 59819 C8 G B2839 -838.040-103.120 164.342 1.00858.68 C ATOM 59820 N7 G B2839 -838.468-101.891 164.445 1.00858.68 N ATOM 59821 C5 G B2839 -838.946-101.799 165.744 1.00858.68 C ATOM 59822 C6 G B2839 -839.537-100.705 166.430 1.00858.68 C ATOM 59823 O6 G B2839 -839.754 -99.561 166.015 1.00858.68 O ATOM 59824 N1 G B2839 -839.890-101.049 167.731 1.00858.68 N ATOM 59825 C2 G B2839 -839.697-102.279 168.302 1.00858.68 C ATOM 59826 N2 G B2839 -840.109-102.412 169.572 1.00858.68 N ATOM 59827 N3 G B2839 -839.145-103.312 167.674 1.00858.68 N ATOM 59828 C4 G B2839 -838.798-103.000 166.407 1.00858.68 C ATOM 59829 P U B2840 -838.583-108.065 161.909 1.00858.68 P ATOM 59830 O1P U B2840 -838.204-109.362 161.299 1.00858.68 O ATOM 59831 O2P U B2840 -838.535-106.826 161.089 1.00858.68 O ATOM 59832 O5* U B2840 -840.052-108.208 162.508 1.00858.68 O ATOM 59833 C5* U B2840 -840.308-109.047 163.630 1.00858.68 C ATOM 59834 C4* U B2840 -841.614-108.666 164.277 1.00858.68 C ATOM 59835 O4* U B2840 -841.433-107.435 165.022 1.00858.68 O ATOM 59836 C3* U B2840 -842.739-108.347 163.297 1.00858.68 C ATOM 59837 O3* U B2840 -843.434-109.520 162.886 1.00858.68 O ATOM 59838 C2* U B2840 -843.635-107.416 164.104 1.00858.68 C ATOM 59839 O2* U B2840 -844.539-108.115 164.936 1.00858.68 O ATOM 59840 C1* U B2840 -842.617-106.664 164.966 1.00858.68 C ATOM 59841 N1 U B2840 -842.271-105.337 164.442 1.00858.68 N ATOM 59842 C2 U B2840 -842.873-104.244 165.023 1.00858.68 C ATOM 59843 O2 U B2840 -843.661-104.338 165.947 1.00858.68 O ATOM 59844 N3 U B2840 -842.515-103.030 164.485 1.00858.68 N ATOM 59845 C4 U B2840 -841.631-102.809 163.450 1.00858.68 C ATOM 59846 O4 U B2840 -841.398-101.656 163.086 1.00858.68 O ATOM 59847 C5 U B2840 -841.048-103.995 162.905 1.00858.68 C ATOM 59848 C6 U B2840 -841.382-105.188 163.404 1.00858.68 C ATOM 59849 P U B2841 -843.216-110.094 161.402 1.00858.68 P ATOM 59850 O1P U B2841 -844.285-111.089 161.145 1.00858.68 O ATOM 59851 O2P U B2841 -841.792-110.492 161.259 1.00858.68 O ATOM 59852 O5* U B2841 -843.485-108.844 160.458 1.00858.68 O ATOM 59853 C5* U B2841 -844.132-109.012 159.204 1.00858.68 C ATOM 59854 C4* U B2841 -844.015-107.751 158.379 1.00858.68 C ATOM 59855 O4* U B2841 -844.849-106.709 158.943 1.00858.68 O ATOM 59856 C3* U B2841 -842.657-107.070 158.278 1.00858.68 C ATOM 59857 O3* U B2841 -841.933-107.767 157.273 1.00858.68 O ATOM 59858 C2* U B2841 -842.994-105.632 157.889 1.00858.68 C ATOM 59859 O2* U B2841 -843.106-105.430 156.497 1.00858.68 O ATOM 59860 C1* U B2841 -844.382-105.446 158.503 1.00858.68 C ATOM 59861 N1 U B2841 -844.437-104.491 159.616 1.00858.68 N ATOM 59862 C2 U B2841 -844.504-103.149 159.296 1.00858.68 C ATOM 59863 O2 U B2841 -844.531-102.743 158.150 1.00858.68 O ATOM 59864 N3 U B2841 -844.539-102.298 160.373 1.00858.68 N ATOM 59865 C4 U B2841 -844.519-102.644 161.703 1.00858.68 C ATOM 59866 O4 U B2841 -844.549-101.761 162.561 1.00858.68 O ATOM 59867 C5 U B2841 -844.456-104.054 161.951 1.00858.68 C ATOM 59868 C6 U B2841 -844.417-104.906 160.925 1.00858.68 C ATOM 59869 P C B2842 -840.382-107.425 157.020 1.00858.68 P ATOM 59870 O1P C B2842 -839.579-108.436 157.757 1.00858.68 O ATOM 59871 O2P C B2842 -840.158-105.982 157.281 1.00858.68 O ATOM 59872 O5* C B2842 -840.207-107.694 155.464 1.00858.68 O ATOM 59873 C5* C B2842 -841.052-108.623 154.797 1.00858.68 C ATOM 59874 C4* C B2842 -841.351-108.158 153.396 1.00858.68 C ATOM 59875 O4* C B2842 -840.088-107.924 152.725 1.00858.68 O ATOM 59876 C3* C B2842 -842.081-109.129 152.507 1.00858.68 C ATOM 59877 O3* C B2842 -843.492-109.068 152.703 1.00858.68 O ATOM 59878 C2* C B2842 -841.653-108.692 151.113 1.00858.68 C ATOM 59879 O2* C B2842 -842.397-107.586 150.636 1.00858.68 O ATOM 59880 C1* C B2842 -840.203-108.265 151.359 1.00858.68 C ATOM 59881 N1 C B2842 -839.223-109.332 151.114 1.00858.68 N ATOM 59882 C2 C B2842 -838.327-109.211 150.052 1.00858.68 C ATOM 59883 O2 C B2842 -838.401-108.214 149.318 1.00858.68 O ATOM 59884 N3 C B2842 -837.407-110.182 149.848 1.00858.68 N ATOM 59885 C4 C B2842 -837.364-111.244 150.663 1.00858.68 C ATOM 59886 N4 C B2842 -836.433-112.168 150.435 1.00858.68 N ATOM 59887 C5 C B2842 -838.273-111.396 151.744 1.00858.68 C ATOM 59888 C6 C B2842 -839.177-110.431 151.932 1.00858.68 C ATOM 59889 P A B2843 -844.449-110.085 151.906 1.00858.68 P ATOM 59890 O1P A B2843 -843.840-111.435 151.989 1.00858.68 O ATOM 59891 O2P A B2843 -844.747-109.491 150.577 1.00858.68 O ATOM 59892 O5* A B2843 -845.798-110.095 152.754 1.00858.68 O ATOM 59893 C5* A B2843 -846.830-109.153 152.482 1.00858.68 C ATOM 59894 C4* A B2843 -846.861-108.087 153.551 1.00858.68 C ATOM 59895 O4* A B2843 -845.587-107.409 153.607 1.00858.68 O ATOM 59896 C3* A B2843 -847.903-106.973 153.412 1.00858.68 C ATOM 59897 O3* A B2843 -849.185-107.346 153.900 1.00858.68 O ATOM 59898 C2* A B2843 -847.275-105.832 154.208 1.00858.68 C ATOM 59899 O2* A B2843 -847.538-105.930 155.593 1.00858.68 O ATOM 59900 C1* A B2843 -845.780-106.051 153.951 1.00858.68 C ATOM 59901 N9 A B2843 -845.199-105.232 152.888 1.00858.68 N ATOM 59902 C8 A B2843 -845.225-105.501 151.540 1.00858.68 C ATOM 59903 N7 A B2843 -844.573-104.628 150.812 1.00858.68 N ATOM 59904 C5 A B2843 -844.097-103.714 151.744 1.00858.68 C ATOM 59905 C6 A B2843 -843.321-102.557 151.605 1.00858.68 C ATOM 59906 N6 A B2843 -842.856-102.124 150.429 1.00858.68 N ATOM 59907 N1 A B2843 -843.025-101.861 152.727 1.00858.68 N ATOM 59908 C2 A B2843 -843.479-102.319 153.904 1.00858.68 C ATOM 59909 N3 A B2843 -844.208-103.405 154.161 1.00858.68 N ATOM 59910 C4 A B2843 -844.487-104.067 153.022 1.00858.68 C ATOM 59911 P G B2844 -850.464-106.433 153.560 1.00858.68 P ATOM 59912 O1P G B2844 -851.627-107.013 154.279 1.00858.68 O ATOM 59913 O2P G B2844 -850.527-106.247 152.090 1.00858.68 O ATOM 59914 O5* G B2844 -850.118-105.029 154.229 1.00858.68 O ATOM 59915 C5* G B2844 -850.454-104.763 155.587 1.00858.68 C ATOM 59916 C4* G B2844 -850.382-103.281 155.862 1.00858.68 C ATOM 59917 O4* G B2844 -848.991-102.860 155.876 1.00858.68 O ATOM 59918 C3* G B2844 -850.926-102.315 154.839 1.00858.68 C ATOM 59919 O3* G B2844 -852.340-102.268 154.941 1.00858.68 O ATOM 59920 C2* G B2844 -850.261-100.985 155.164 1.00858.68 C ATOM 59921 O2* G B2844 -850.970-100.255 156.148 1.00858.68 O ATOM 59922 C1* G B2844 -848.914-101.449 155.711 1.00858.68 C ATOM 59923 N9 G B2844 -847.873-101.166 154.724 1.00858.68 N ATOM 59924 C8 G B2844 -847.083-102.090 154.086 1.00858.68 C ATOM 59925 N7 G B2844 -846.279-101.559 153.204 1.00858.68 N ATOM 59926 C5 G B2844 -846.544-100.198 153.272 1.00858.68 C ATOM 59927 C6 G B2844 -845.977 -99.112 152.544 1.00858.68 C ATOM 59928 O6 G B2844 -845.111 -99.142 151.660 1.00858.68 O ATOM 59929 N1 G B2844 -846.523 -97.892 152.935 1.00858.68 N ATOM 59930 C2 G B2844 -847.494 -97.737 153.903 1.00858.68 C ATOM 59931 N2 G B2844 -847.894 -96.483 154.146 1.00858.68 N ATOM 59932 N3 G B2844 -848.033 -98.744 154.580 1.00858.68 N ATOM 59933 C4 G B2844 -847.514 -99.935 154.218 1.00858.68 C ATOM 59934 P C B2845 -853.215-102.086 153.602 1.00858.68 P ATOM 59935 O1P C B2845 -854.598-101.731 154.005 1.00858.68 O ATOM 59936 O2P C B2845 -852.982-103.274 152.740 1.00858.68 O ATOM 59937 O5* C B2845 -852.560-100.822 152.888 1.00858.68 O ATOM 59938 C5* C B2845 -852.772 -99.508 153.399 1.00858.68 C ATOM 59939 C4* C B2845 -851.963 -98.492 152.623 1.00858.68 C ATOM 59940 O4* C B2845 -850.542 -98.763 152.781 1.00858.68 O ATOM 59941 C3* C B2845 -852.210 -98.523 151.124 1.00858.68 C ATOM 59942 O3* C B2845 -853.302 -97.689 150.758 1.00858.68 O ATOM 59943 C2* C B2845 -850.896 -98.004 150.556 1.00858.68 C ATOM 59944 O2* C B2845 -850.814 -96.591 150.571 1.00858.68 O ATOM 59945 C1* C B2845 -849.882 -98.589 151.537 1.00858.68 C ATOM 59946 N1 C B2845 -849.416 -99.901 151.066 1.00858.68 N ATOM 59947 C2 C B2845 -848.633 -99.963 149.907 1.00858.68 C ATOM 59948 O2 C B2845 -848.317 -98.908 149.338 1.00858.68 O ATOM 59949 N3 C B2845 -848.239-101.171 149.439 1.00858.68 N ATOM 59950 C4 C B2845 -848.595-102.284 150.088 1.00858.68 C ATOM 59951 N4 C B2845 -848.202-103.456 149.585 1.00858.68 N ATOM 59952 C5 C B2845 -849.378-102.247 151.279 1.00858.68 C ATOM 59953 C6 C B2845 -849.759-101.045 151.732 1.00858.68 C ATOM 59954 P G B2846 -854.507 -98.306 149.889 1.00858.68 P ATOM 59955 O1P G B2846 -855.488 -97.219 149.649 1.00858.68 O ATOM 59956 O2P G B2846 -854.948 -99.568 150.541 1.00858.68 O ATOM 59957 O5* G B2846 -853.826 -98.681 148.496 1.00858.68 O ATOM 59958 C5* G B2846 -852.967 -97.755 147.834 1.00858.68 C ATOM 59959 C4* G B2846 -852.460 -98.340 146.532 1.00858.68 C ATOM 59960 O4* G B2846 -851.802 -99.605 146.770 1.00858.68 O ATOM 59961 C3* G B2846 -853.539 -98.619 145.492 1.00858.68 C ATOM 59962 O3* G B2846 -853.834 -97.461 144.715 1.00858.68 O ATOM 59963 C2* G B2846 -852.901 -99.720 144.644 1.00858.68 C ATOM 59964 O2* G B2846 -852.069 -99.208 143.624 1.00858.68 O ATOM 59965 C1* G B2846 -852.033-100.460 145.669 1.00858.68 C ATOM 59966 N9 G B2846 -852.552-101.735 146.155 1.00858.68 N ATOM 59967 C8 G B2846 -852.467-102.247 147.425 1.00858.68 C ATOM 59968 N7 G B2846 -853.006-103.433 147.536 1.00858.68 N ATOM 59969 C5 G B2846 -853.479-103.717 146.264 1.00858.68 C ATOM 59970 C6 G B2846 -854.155-104.867 145.762 1.00858.68 C ATOM 59971 O6 G B2846 -854.473-105.902 146.360 1.00858.68 O ATOM 59972 N1 G B2846 -854.458-104.730 144.412 1.00858.68 N ATOM 59973 C2 G B2846 -854.148-103.636 143.639 1.00858.68 C ATOM 59974 N2 G B2846 -854.530-103.693 142.357 1.00858.68 N ATOM 59975 N3 G B2846 -853.516-102.566 144.090 1.00858.68 N ATOM 59976 C4 G B2846 -853.214-102.675 145.402 1.00858.68 C ATOM 59977 P G B2847 -855.080 -97.472 143.697 1.00858.68 P ATOM 59978 O1P G B2847 -855.835 -96.210 143.910 1.00858.68 O ATOM 59979 O2P G B2847 -855.780 -98.777 143.818 1.00858.68 O ATOM 59980 O5* G B2847 -854.400 -97.399 142.258 1.00858.68 O ATOM 59981 C5* G B2847 -855.027 -97.980 141.120 1.00858.68 C ATOM 59982 C4* G B2847 -856.306 -97.246 140.797 1.00858.68 C ATOM 59983 O4* G B2847 -856.088 -95.813 140.842 1.00858.68 O ATOM 59984 C3* G B2847 -856.899 -97.513 139.423 1.00858.68 C ATOM 59985 O3* G B2847 -857.710 -98.686 139.436 1.00858.68 O ATOM 59986 C2* G B2847 -857.718 -96.253 139.155 1.00858.68 C ATOM 59987 O2* G B2847 -859.007 -96.307 139.729 1.00858.68 O ATOM 59988 C1* G B2847 -856.892 -95.177 139.864 1.00858.68 C ATOM 59989 N9 G B2847 -856.024 -94.407 138.982 1.00858.68 N ATOM 59990 C8 G B2847 -854.691 -94.630 138.720 1.00858.68 C ATOM 59991 N7 G B2847 -854.179 -93.754 137.893 1.00858.68 N ATOM 59992 C5 G B2847 -855.235 -92.909 137.587 1.00858.68 C ATOM 59993 C6 G B2847 -855.290 -91.770 136.743 1.00858.68 C ATOM 59994 O6 G B2847 -854.379 -91.260 136.079 1.00858.68 O ATOM 59995 N1 G B2847 -856.560 -91.213 136.719 1.00858.68 N ATOM 59996 C2 G B2847 -857.647 -91.685 137.414 1.00858.68 C ATOM 59997 N2 G B2847 -858.794 -91.008 137.254 1.00858.68 N ATOM 59998 N3 G B2847 -857.611 -92.743 138.207 1.00858.68 N ATOM 59999 C4 G B2847 -856.383 -93.302 138.246 1.00858.68 C ATOM 60000 P A B2848 -857.041-100.124 139.176 1.00858.68 P ATOM 60001 O1P A B2848 -857.029-100.837 140.479 1.00858.68 O ATOM 60002 O2P A B2848 -855.769 -99.931 138.431 1.00858.68 O ATOM 60003 O5* A B2848 -858.079-100.861 138.220 1.00858.68 O ATOM 60004 C5* A B2848 -859.479-100.747 138.452 1.00858.68 C ATOM 60005 C4* A B2848 -860.196-100.412 137.164 1.00858.68 C ATOM 60006 O4* A B2848 -859.909 -99.045 136.790 1.00858.68 O ATOM 60007 C3* A B2848 -859.756-101.299 135.989 1.00858.68 C ATOM 60008 O3* A B2848 -860.604-102.439 135.880 1.00858.68 O ATOM 60009 C2* A B2848 -859.859-100.358 134.790 1.00858.68 C ATOM 60010 O2* A B2848 -861.153-100.334 134.222 1.00858.68 O ATOM 60011 C1* A B2848 -859.569 -98.990 135.419 1.00858.68 C ATOM 60012 N9 A B2848 -858.201 -98.486 135.297 1.00858.68 N ATOM 60013 C8 A B2848 -857.031 -99.175 135.085 1.00858.68 C ATOM 60014 N7 A B2848 -855.970 -98.407 135.041 1.00858.68 N ATOM 60015 C5 A B2848 -856.470 -97.129 135.233 1.00858.68 C ATOM 60016 C6 A B2848 -855.856 -95.863 135.296 1.00858.68 C ATOM 60017 N6 A B2848 -854.541 -95.673 135.168 1.00858.68 N ATOM 60018 N1 A B2848 -856.650 -94.789 135.499 1.00858.68 N ATOM 60019 C2 A B2848 -857.967 -94.980 135.632 1.00858.68 C ATOM 60020 N3 A B2848 -858.661 -96.115 135.592 1.00858.68 N ATOM 60021 C4 A B2848 -857.845 -97.163 135.389 1.00858.68 C ATOM 60022 P C B2849 -860.199-103.661 134.917 1.00858.68 P ATOM 60023 O1P C B2849 -860.012-103.120 133.547 1.00858.68 O ATOM 60024 O2P C B2849 -861.173-104.758 135.142 1.00858.68 O ATOM 60025 O5* C B2849 -858.780-104.140 135.459 1.00858.68 O ATOM 60026 C5* C B2849 -857.668-104.248 134.577 1.00858.68 C ATOM 60027 C4* C B2849 -856.768-105.378 135.009 1.00858.68 C ATOM 60028 O4* C B2849 -856.035-104.979 136.198 1.00858.68 O ATOM 60029 C3* C B2849 -857.371-106.705 135.418 1.00858.68 C ATOM 60030 O3* C B2849 -857.719-107.495 134.290 1.00858.68 O ATOM 60031 C2* C B2849 -856.269-107.350 136.248 1.00858.68 C ATOM 60032 O2* C B2849 -855.302-108.003 135.449 1.00858.68 O ATOM 60033 C1* C B2849 -855.637-106.129 136.925 1.00858.68 C ATOM 60034 N1 C B2849 -856.082-105.969 138.319 1.00858.68 N ATOM 60035 C2 C B2849 -855.796-106.987 139.234 1.00858.68 C ATOM 60036 O2 C B2849 -855.171-107.983 138.847 1.00858.68 O ATOM 60037 N3 C B2849 -856.210-106.856 140.516 1.00858.68 N ATOM 60038 C4 C B2849 -856.881-105.767 140.896 1.00858.68 C ATOM 60039 N4 C B2849 -857.269-105.688 142.170 1.00858.68 N ATOM 60040 C5 C B2849 -857.183-104.714 139.982 1.00858.68 C ATOM 60041 C6 C B2849 -856.766-104.853 138.717 1.00858.68 C ATOM 60042 P U B2850 -858.601-108.826 134.496 1.00858.68 P ATOM 60043 O1P U B2850 -859.390-109.035 133.258 1.00858.68 O ATOM 60044 O2P U B2850 -859.301-108.721 135.801 1.00858.68 O ATOM 60045 O5* U B2850 -857.523-109.993 134.600 1.00858.68 O ATOM 60046 C5* U B2850 -857.357-110.929 133.543 1.00858.68 C ATOM 60047 C4* U B2850 -857.921-112.274 133.937 1.00858.68 C ATOM 60048 O4* U B2850 -857.104-112.859 134.982 1.00858.68 O ATOM 60049 C3* U B2850 -859.320-112.213 134.518 1.00858.68 C ATOM 60050 O3* U B2850 -860.299-112.260 133.488 1.00858.68 O ATOM 60051 C2* U B2850 -859.376-113.442 135.414 1.00858.68 C ATOM 60052 O2* U B2850 -859.693-114.622 134.702 1.00858.68 O ATOM 60053 C1* U B2850 -857.933-113.520 135.924 1.00858.68 C ATOM 60054 N1 U B2850 -857.777-112.852 137.225 1.00858.68 N ATOM 60055 C2 U B2850 -858.100-113.570 138.362 1.00858.68 C ATOM 60056 O2 U B2850 -858.494-114.724 138.324 1.00858.68 O ATOM 60057 N3 U B2850 -857.943-112.889 139.540 1.00858.68 N ATOM 60058 C4 U B2850 -857.507-111.589 139.702 1.00858.68 C ATOM 60059 O4 U B2850 -857.407-111.120 140.836 1.00858.68 O ATOM 60060 C5 U B2850 -857.190-110.914 138.480 1.00858.68 C ATOM 60061 C6 U B2850 -857.327-111.554 137.311 1.00858.68 C ATOM 60062 P G B2851 -861.766-111.671 133.772 1.00858.68 P ATOM 60063 O1P G B2851 -862.490-111.636 132.476 1.00858.68 O ATOM 60064 O2P G B2851 -861.616-110.419 134.560 1.00858.68 O ATOM 60065 O5* G B2851 -862.446-112.771 134.702 1.00858.68 O ATOM 60066 C5* G B2851 -863.233-112.397 135.835 1.00858.68 C ATOM 60067 C4* G B2851 -862.976-113.341 136.986 1.00858.68 C ATOM 60068 O4* G B2851 -861.671-113.061 137.556 1.00858.68 O ATOM 60069 C3* G B2851 -863.929-113.242 138.164 1.00858.68 C ATOM 60070 O3* G B2851 -865.105-114.003 137.918 1.00858.68 O ATOM 60071 C2* G B2851 -863.100-113.792 139.315 1.00858.68 C ATOM 60072 O2* G B2851 -863.096-115.207 139.351 1.00858.68 O ATOM 60073 C1* G B2851 -861.701-113.279 138.957 1.00858.68 C ATOM 60074 N9 G B2851 -861.406-112.004 139.597 1.00858.68 N ATOM 60075 C8 G B2851 -860.946-110.875 138.961 1.00858.68 C ATOM 60076 N7 G B2851 -860.781-109.864 139.767 1.00858.68 N ATOM 60077 C5 G B2851 -861.150-110.349 141.012 1.00858.68 C ATOM 60078 C6 G B2851 -861.180-109.701 142.267 1.00858.68 C ATOM 60079 O6 G B2851 -860.877-108.534 142.535 1.00858.68 O ATOM 60080 N1 G B2851 -861.617-110.554 143.275 1.00858.68 N ATOM 60081 C2 G B2851 -861.980-111.863 143.097 1.00858.68 C ATOM 60082 N2 G B2851 -862.376-112.511 144.204 1.00858.68 N ATOM 60083 N3 G B2851 -861.956-112.487 141.923 1.00858.68 N ATOM 60084 C4 G B2851 -861.535-111.671 140.929 1.00858.68 C ATOM 60085 P G B2852 -866.543-113.388 138.296 1.00858.68 P ATOM 60086 O1P G B2852 -867.532-113.969 137.352 1.00858.68 O ATOM 60087 O2P G B2852 -866.408-111.913 138.398 1.00858.68 O ATOM 60088 O5* G B2852 -866.844-113.970 139.747 1.00858.68 O ATOM 60089 C5* G B2852 -866.425-115.280 140.109 1.00858.68 C ATOM 60090 C4* G B2852 -866.022-115.331 141.567 1.00858.68 C ATOM 60091 O4* G B2852 -864.866-114.480 141.780 1.00858.68 O ATOM 60092 C3* G B2852 -867.088-114.799 142.516 1.00858.68 C ATOM 60093 O3* G B2852 -868.041-115.776 142.910 1.00858.68 O ATOM 60094 C2* G B2852 -866.261-114.310 143.699 1.00858.68 C ATOM 60095 O2* G B2852 -865.902-115.352 144.583 1.00858.68 O ATOM 60096 C1* G B2852 -865.017-113.771 143.001 1.00858.68 C ATOM 60097 N9 G B2852 -865.177-112.354 142.690 1.00858.68 N ATOM 60098 C8 G B2852 -865.013-111.742 141.474 1.00858.68 C ATOM 60099 N7 G B2852 -865.266-110.461 141.504 1.00858.68 N ATOM 60100 C5 G B2852 -865.613-110.213 142.823 1.00858.68 C ATOM 60101 C6 G B2852 -865.999-109.006 143.459 1.00858.68 C ATOM 60102 O6 G B2852 -866.122-107.879 142.965 1.00858.68 O ATOM 60103 N1 G B2852 -866.259-109.200 144.813 1.00858.68 N ATOM 60104 C2 G B2852 -866.168-110.403 145.468 1.00858.68 C ATOM 60105 N2 G B2852 -866.462-110.382 146.779 1.00858.68 N ATOM 60106 N3 G B2852 -865.811-111.538 144.888 1.00858.68 N ATOM 60107 C4 G B2852 -865.553-111.368 143.572 1.00858.68 C ATOM 60108 P U B2853 -869.604-115.397 142.904 1.00858.68 P ATOM 60109 O1P U B2853 -870.363-116.589 143.359 1.00858.68 O ATOM 60110 O2P U B2853 -869.913-114.790 141.587 1.00858.68 O ATOM 60111 O5* U B2853 -869.738-114.265 144.019 1.00858.68 O ATOM 60112 C5* U B2853 -869.532-114.562 145.397 1.00858.68 C ATOM 60113 C4* U B2853 -869.867-113.359 146.255 1.00858.68 C ATOM 60114 O4* U B2853 -868.976-112.261 145.920 1.00858.68 O ATOM 60115 C3* U B2853 -871.264-112.774 146.099 1.00858.68 C ATOM 60116 O3* U B2853 -872.234-113.469 146.879 1.00858.68 O ATOM 60117 C2* U B2853 -871.073-111.335 146.569 1.00858.68 C ATOM 60118 O2* U B2853 -871.128-111.215 147.977 1.00858.68 O ATOM 60119 C1* U B2853 -869.658-111.027 146.075 1.00858.68 C ATOM 60120 N1 U B2853 -869.661-110.346 144.771 1.00858.68 N ATOM 60121 C2 U B2853 -870.248-109.096 144.674 1.00858.68 C ATOM 60122 O2 U B2853 -870.714-108.495 145.622 1.00858.68 O ATOM 60123 N3 U B2853 -870.261-108.561 143.412 1.00858.68 N ATOM 60124 C4 U B2853 -869.739-109.117 142.270 1.00858.68 C ATOM 60125 O4 U B2853 -869.855-108.516 141.201 1.00858.68 O ATOM 60126 C5 U B2853 -869.119-110.393 142.455 1.00858.68 C ATOM 60127 C6 U B2853 -869.108-110.951 143.667 1.00858.68 C ATOM 60128 P G B2854 -873.784-113.415 146.446 1.00858.68 P ATOM 60129 O1P G B2854 -874.595-113.784 147.637 1.00858.68 O ATOM 60130 O2P G B2854 -873.939-114.184 145.188 1.00858.68 O ATOM 60131 O5* G B2854 -874.025-111.872 146.132 1.00858.68 O ATOM 60132 C5* G B2854 -875.330-111.356 145.891 1.00858.68 C ATOM 60133 C4* G B2854 -875.412-110.794 144.492 1.00858.68 C ATOM 60134 O4* G B2854 -874.879-111.762 143.560 1.00858.68 O ATOM 60135 C3* G B2854 -876.821-110.458 143.991 1.00858.68 C ATOM 60136 O3* G B2854 -877.165-109.107 144.277 1.00858.68 O ATOM 60137 C2* G B2854 -876.687-110.628 142.477 1.00858.68 C ATOM 60138 O2* G B2854 -876.219-109.451 141.847 1.00858.68 O ATOM 60139 C1* G B2854 -875.615-111.716 142.358 1.00858.68 C ATOM 60140 N9 G B2854 -876.080-113.063 142.047 1.00858.68 N ATOM 60141 C8 G B2854 -876.182-113.617 140.795 1.00858.68 C ATOM 60142 N7 G B2854 -876.608-114.847 140.809 1.00858.68 N ATOM 60143 C5 G B2854 -876.807-115.126 142.153 1.00858.68 C ATOM 60144 C6 G B2854 -877.267-116.307 142.786 1.00858.68 C ATOM 60145 O6 G B2854 -877.597-117.382 142.267 1.00858.68 O ATOM 60146 N1 G B2854 -877.319-116.163 144.168 1.00858.68 N ATOM 60147 C2 G B2854 -876.977-115.025 144.854 1.00858.68 C ATOM 60148 N2 G B2854 -877.100-115.079 146.188 1.00858.68 N ATOM 60149 N3 G B2854 -876.547-113.913 144.277 1.00858.68 N ATOM 60150 C4 G B2854 -876.486-114.034 142.934 1.00858.68 C ATOM 60151 P C B2855 -878.548-108.751 145.008 1.00858.68 P ATOM 60152 O1P C B2855 -878.860-109.841 145.966 1.00858.68 O ATOM 60153 O2P C B2855 -879.553-108.365 143.982 1.00858.68 O ATOM 60154 O5* C B2855 -878.153-107.454 145.845 1.00858.68 O ATOM 60155 C5* C B2855 -878.396-107.359 147.242 1.00858.68 C ATOM 60156 C4* C B2855 -877.330-106.506 147.890 1.00858.68 C ATOM 60157 O4* C B2855 -876.044-107.167 147.741 1.00858.68 O ATOM 60158 C3* C B2855 -877.121-105.151 147.260 1.00858.68 C ATOM 60159 O3* C B2855 -878.021-104.225 147.849 1.00858.68 O ATOM 60160 C2* C B2855 -875.676-104.823 147.590 1.00858.68 C ATOM 60161 O2* C B2855 -875.509-104.278 148.884 1.00858.68 O ATOM 60162 C1* C B2855 -875.024-106.202 147.527 1.00858.68 C ATOM 60163 N1 C B2855 -874.422-106.434 146.203 1.00858.68 N ATOM 60164 C2 C B2855 -873.166-105.865 145.919 1.00858.68 C ATOM 60165 O2 C B2855 -872.581-105.216 146.797 1.00858.68 O ATOM 60166 N3 C B2855 -872.625-106.042 144.693 1.00858.68 N ATOM 60167 C4 C B2855 -873.283-106.750 143.771 1.00858.68 C ATOM 60168 N4 C B2855 -872.717-106.890 142.572 1.00858.68 N ATOM 60169 C5 C B2855 -874.550-107.349 144.038 1.00858.68 C ATOM 60170 C6 C B2855 -875.076-107.169 145.257 1.00858.68 C ATOM 60171 P U B2856 -878.209-102.778 147.179 1.00858.68 P ATOM 60172 O1P U B2856 -879.300-102.075 147.900 1.00858.68 O ATOM 60173 O2P U B2856 -878.297-102.949 145.706 1.00858.68 O ATOM 60174 O5* U B2856 -876.841-102.035 147.506 1.00858.68 O ATOM 60175 C5* U B2856 -876.836-100.780 148.179 1.00858.68 C ATOM 60176 C4* U B2856 -876.185 -99.732 147.315 1.00858.68 C ATOM 60177 O4* U B2856 -874.841-100.141 146.951 1.00858.68 O ATOM 60178 C3* U B2856 -876.873 -99.501 145.991 1.00858.68 C ATOM 60179 O3* U B2856 -877.976 -98.632 146.156 1.00858.68 O ATOM 60180 C2* U B2856 -875.758 -98.925 145.131 1.00858.68 C ATOM 60181 O2* U B2856 -875.547 -97.546 145.366 1.00858.68 O ATOM 60182 C1* U B2856 -874.555 -99.730 145.623 1.00858.68 C ATOM 60183 N1 U B2856 -874.391-100.940 144.804 1.00858.68 N ATOM 60184 C2 U B2856 -873.736-100.825 143.599 1.00858.68 C ATOM 60185 O2 U B2856 -873.253 -99.778 143.200 1.00858.68 O ATOM 60186 N3 U B2856 -873.661-101.990 142.872 1.00858.68 N ATOM 60187 C4 U B2856 -874.161-103.225 143.225 1.00858.68 C ATOM 60188 O4 U B2856 -874.044-104.175 142.450 1.00858.68 O ATOM 60189 C5 U B2856 -874.812-103.262 144.497 1.00858.68 C ATOM 60190 C6 U B2856 -874.899-102.146 145.223 1.00858.68 C ATOM 60191 P C B2857 -879.385 -99.014 145.490 1.00858.68 P ATOM 60192 O1P C B2857 -880.191 -97.768 145.384 1.00858.68 O ATOM 60193 O2P C B2857 -879.939-100.185 146.213 1.00858.68 O ATOM 60194 O5* C B2857 -878.977 -99.464 144.023 1.00858.68 O ATOM 60195 C5* C B2857 -878.793 -98.494 143.000 1.00858.68 C ATOM 60196 C4* C B2857 -879.103 -99.090 141.653 1.00858.68 C ATOM 60197 O4* C B2857 -878.101-100.081 141.297 1.00858.68 O ATOM 60198 C3* C B2857 -880.371 -99.906 141.501 1.00858.68 C ATOM 60199 O3* C B2857 -881.500 -99.057 141.378 1.00858.68 O ATOM 60200 C2* C B2857 -880.130-100.738 140.249 1.00858.68 C ATOM 60201 O2* C B2857 -880.491-100.058 139.063 1.00858.68 O ATOM 60202 C1* C B2857 -878.616-100.946 140.298 1.00858.68 C ATOM 60203 N1 C B2857 -878.283-102.331 140.658 1.00858.68 N ATOM 60204 C2 C B2857 -878.443-103.333 139.690 1.00858.68 C ATOM 60205 O2 C B2857 -878.830-103.018 138.558 1.00858.68 O ATOM 60206 N3 C B2857 -878.169-104.618 140.017 1.00858.68 N ATOM 60207 C4 C B2857 -877.749-104.919 141.246 1.00858.68 C ATOM 60208 N4 C B2857 -877.500-106.199 141.527 1.00858.68 N ATOM 60209 C5 C B2857 -877.564-103.919 142.246 1.00858.68 C ATOM 60210 C6 C B2857 -877.838-102.647 141.912 1.00858.68 C ATOM 60211 P A B2858 -882.966 -99.699 141.508 1.00858.68 P ATOM 60212 O1P A B2858 -883.949 -98.588 141.528 1.00858.68 O ATOM 60213 O2P A B2858 -882.952-100.689 142.615 1.00858.68 O ATOM 60214 O5* A B2858 -883.105-100.484 140.130 1.00858.68 O ATOM 60215 C5* A B2858 -884.002-101.572 139.967 1.00858.68 C ATOM 60216 C4* A B2858 -883.612-102.363 138.743 1.00858.68 C ATOM 60217 O4* A B2858 -882.242-102.827 138.863 1.00858.68 O ATOM 60218 C3* A B2858 -884.421-103.608 138.474 1.00858.68 C ATOM 60219 O3* A B2858 -885.592-103.243 137.754 1.00858.68 O ATOM 60220 C2* A B2858 -883.474-104.452 137.625 1.00858.68 C ATOM 60221 O2* A B2858 -883.513-104.094 136.259 1.00858.68 O ATOM 60222 C1* A B2858 -882.109-104.072 138.199 1.00858.68 C ATOM 60223 N9 A B2858 -881.599-105.068 139.146 1.00858.68 N ATOM 60224 C8 A B2858 -881.878-105.215 140.481 1.00858.68 C ATOM 60225 N7 A B2858 -881.273-106.235 141.038 1.00858.68 N ATOM 60226 C5 A B2858 -880.539-106.795 140.000 1.00858.68 C ATOM 60227 C6 A B2858 -879.684-107.907 139.936 1.00858.68 C ATOM 60228 N6 A B2858 -879.411-108.696 140.979 1.00858.68 N ATOM 60229 N1 A B2858 -879.109-108.190 138.746 1.00858.68 N ATOM 60230 C2 A B2858 -879.383-107.407 137.700 1.00858.68 C ATOM 60231 N3 A B2858 -880.172-106.335 137.632 1.00858.68 N ATOM 60232 C4 A B2858 -880.727-106.080 138.830 1.00858.68 C ATOM 60233 P U B2859 -886.844-104.250 137.706 1.00858.68 P ATOM 60234 O1P U B2859 -886.311-105.610 137.456 1.00858.68 O ATOM 60235 O2P U B2859 -887.859-103.678 136.786 1.00858.68 O ATOM 60236 O5* U B2859 -887.440-104.214 139.185 1.00858.68 O ATOM 60237 C5* U B2859 -887.796-105.415 139.868 1.00858.68 C ATOM 60238 C4* U B2859 -889.298-105.514 139.978 1.00858.68 C ATOM 60239 O4* U B2859 -889.763-104.446 140.838 1.00858.68 O ATOM 60240 C3* U B2859 -890.089-105.335 138.689 1.00858.68 C ATOM 60241 O3* U B2859 -890.222-106.564 137.980 1.00858.68 O ATOM 60242 C2* U B2859 -891.436-104.832 139.187 1.00858.68 C ATOM 60243 O2* U B2859 -892.282-105.885 139.611 1.00858.68 O ATOM 60244 C1* U B2859 -891.027-103.988 140.396 1.00858.68 C ATOM 60245 N1 U B2859 -890.913-102.555 140.084 1.00858.68 N ATOM 60246 C2 U B2859 -892.072-101.858 139.852 1.00858.68 C ATOM 60247 O2 U B2859 -893.155-102.372 139.911 1.00858.68 O ATOM 60248 N3 U B2859 -891.912-100.534 139.547 1.00858.68 N ATOM 60249 C4 U B2859 -890.729 -99.846 139.461 1.00858.68 C ATOM 60250 O4 U B2859 -890.741 -98.661 139.122 1.00858.68 O ATOM 60251 C5 U B2859 -889.563-100.631 139.731 1.00858.68 C ATOM 60252 C6 U B2859 -889.692-101.929 140.027 1.00858.68 C ATOM 60253 P C B2860 -890.091-106.585 136.378 1.00858.68 P ATOM 60254 O1P C B2860 -890.442-107.957 135.933 1.00858.68 O ATOM 60255 O2P C B2860 -888.773-106.009 136.009 1.00858.68 O ATOM 60256 O5* C B2860 -891.233-105.593 135.864 1.00858.68 O ATOM 60257 C5* C B2860 -892.598-105.797 136.225 1.00858.68 C ATOM 60258 C4* C B2860 -893.380-104.509 136.088 1.00858.68 C ATOM 60259 O4* C B2860 -892.598-103.429 136.664 1.00858.68 O ATOM 60260 C3* C B2860 -893.645-104.051 134.667 1.00858.68 C ATOM 60261 O3* C B2860 -894.840-104.633 134.163 1.00858.68 O ATOM 60262 C2* C B2860 -893.817-102.546 134.826 1.00858.68 C ATOM 60263 O2* C B2860 -895.117-102.196 135.254 1.00858.68 O ATOM 60264 C1* C B2860 -892.808-102.237 135.928 1.00858.68 C ATOM 60265 N1 C B2860 -891.531-101.827 135.331 1.00858.68 N ATOM 60266 C2 C B2860 -891.355-100.488 134.975 1.00858.68 C ATOM 60267 O2 C B2860 -892.266 -99.681 135.215 1.00858.68 O ATOM 60268 N3 C B2860 -890.199-100.109 134.381 1.00858.68 N ATOM 60269 C4 C B2860 -889.243-101.009 134.148 1.00858.68 C ATOM 60270 N4 C B2860 -888.125-100.595 133.548 1.00858.68 N ATOM 60271 C5 C B2860 -889.390-102.378 134.516 1.00858.68 C ATOM 60272 C6 C B2860 -890.538-102.738 135.104 1.00858.68 C ATOM 60273 P A B2861 -895.025-104.827 132.573 1.00858.68 P ATOM 60274 O1P A B2861 -896.268-105.621 132.387 1.00858.68 O ATOM 60275 O2P A B2861 -893.745-105.324 132.010 1.00858.68 O ATOM 60276 O5* A B2861 -895.296-103.362 131.994 1.00858.68 O ATOM 60277 C5* A B2861 -896.404-102.590 132.457 1.00858.68 C ATOM 60278 C4* A B2861 -896.192-101.107 132.200 1.00858.68 C ATOM 60279 O4* A B2861 -895.036-100.634 132.948 1.00858.68 O ATOM 60280 C3* A B2861 -895.890-100.765 130.761 1.00858.68 C ATOM 60281 O3* A B2861 -897.094-100.538 130.041 1.00858.68 O ATOM 60282 C2* A B2861 -895.112 -99.461 130.880 1.00858.68 C ATOM 60283 O2* A B2861 -895.963 -98.339 131.022 1.00858.68 O ATOM 60284 C1* A B2861 -894.327 -99.680 132.172 1.00858.68 C ATOM 60285 N9 A B2861 -892.996-100.192 131.853 1.00858.68 N ATOM 60286 C8 A B2861 -892.559-101.491 131.763 1.00858.68 C ATOM 60287 N7 A B2861 -891.307-101.602 131.388 1.00858.68 N ATOM 60288 C5 A B2861 -890.886-100.288 131.231 1.00858.68 C ATOM 60289 C6 A B2861 -889.654 -99.721 130.834 1.00858.68 C ATOM 60290 N6 A B2861 -888.574-100.434 130.504 1.00858.68 N ATOM 60291 N1 A B2861 -889.572 -98.372 130.788 1.00858.68 N ATOM 60292 C2 A B2861 -890.654 -97.653 131.109 1.00858.68 C ATOM 60293 N3 A B2861 -891.861 -98.068 131.483 1.00858.68 N ATOM 60294 C4 A B2861 -891.912 -99.410 131.525 1.00858.68 C ATOM 60295 P G B2862 -897.396-101.396 128.707 1.00858.68 P ATOM 60296 O1P G B2862 -898.867-101.538 128.577 1.00858.68 O ATOM 60297 O2P G B2862 -896.543-102.613 128.754 1.00858.68 O ATOM 60298 O5* G B2862 -896.870-100.486 127.504 1.00858.68 O ATOM 60299 C5* G B2862 -897.227 -99.104 127.409 1.00858.68 C ATOM 60300 C4* G B2862 -896.376 -98.411 126.364 1.00858.68 C ATOM 60301 O4* G B2862 -894.978 -98.658 126.668 1.00858.68 O ATOM 60302 C3* G B2862 -896.498 -98.862 124.923 1.00858.68 C ATOM 60303 O3* G B2862 -897.608 -98.249 124.270 1.00858.68 O ATOM 60304 C2* G B2862 -895.179 -98.411 124.316 1.00858.68 C ATOM 60305 O2* G B2862 -895.191 -97.040 123.965 1.00858.68 O ATOM 60306 C1* G B2862 -894.213 -98.629 125.475 1.00858.68 C ATOM 60307 N9 G B2862 -893.522 -99.911 125.369 1.00858.68 N ATOM 60308 C8 G B2862 -894.076-101.150 125.561 1.00858.68 C ATOM 60309 N7 G B2862 -893.233-102.128 125.381 1.00858.68 N ATOM 60310 C5 G B2862 -892.044-101.496 125.049 1.00858.68 C ATOM 60311 C6 G B2862 -890.775-102.042 124.739 1.00858.68 C ATOM 60312 O6 G B2862 -890.440-103.232 124.695 1.00858.68 O ATOM 60313 N1 G B2862 -889.843-101.049 124.461 1.00858.68 N ATOM 60314 C2 G B2862 -890.094 -99.703 124.478 1.00858.68 C ATOM 60315 N2 G B2862 -889.054 -98.911 124.178 1.00858.68 N ATOM 60316 N3 G B2862 -891.279 -99.174 124.768 1.00858.68 N ATOM 60317 C4 G B2862 -892.201-100.123 125.042 1.00858.68 C ATOM 60318 P U B2863 -898.260 -98.951 122.973 1.00858.68 P ATOM 60319 O1P U B2863 -899.521 -98.226 122.674 1.00858.68 O ATOM 60320 O2P U B2863 -898.292-100.419 123.188 1.00858.68 O ATOM 60321 O5* U B2863 -897.237 -98.649 121.788 1.00858.68 O ATOM 60322 C5* U B2863 -897.351 -97.466 121.004 1.00858.68 C ATOM 60323 C4* U B2863 -896.285 -97.433 119.934 1.00858.68 C ATOM 60324 O4* U B2863 -894.970 -97.528 120.544 1.00858.68 O ATOM 60325 C3* U B2863 -896.271 -98.522 118.866 1.00858.68 C ATOM 60326 O3* U B2863 -897.217 -98.331 117.823 1.00858.68 O ATOM 60327 C2* U B2863 -894.835 -98.464 118.352 1.00858.68 C ATOM 60328 O2* U B2863 -894.642 -97.447 117.391 1.00858.68 O ATOM 60329 C1* U B2863 -894.059 -98.112 119.626 1.00858.68 C ATOM 60330 N1 U B2863 -893.448 -99.291 120.256 1.00858.68 N ATOM 60331 C2 U B2863 -892.106 -99.217 120.584 1.00858.68 C ATOM 60332 O2 U B2863 -891.432 -98.220 120.390 1.00858.68 O ATOM 60333 N3 U B2863 -891.583-100.353 121.153 1.00858.68 N ATOM 60334 C4 U B2863 -892.253-101.529 121.423 1.00858.68 C ATOM 60335 O4 U B2863 -891.635-102.477 121.910 1.00858.68 O ATOM 60336 C5 U B2863 -893.638-101.525 121.057 1.00858.68 C ATOM 60337 C6 U B2863 -894.175-100.435 120.502 1.00858.68 C ATOM 60338 P C B2864 -897.780 -99.604 117.020 1.00858.68 P ATOM 60339 O1P C B2864 -899.151 -99.272 116.562 1.00858.68 O ATOM 60340 O2P C B2864 -897.559-100.816 117.855 1.00858.68 O ATOM 60341 O5* C B2864 -896.833 -99.691 115.744 1.00858.68 O ATOM 60342 C5* C B2864 -897.181 -99.016 114.541 1.00858.68 C ATOM 60343 C4* C B2864 -896.715 -99.798 113.334 1.00858.68 C ATOM 60344 O4* C B2864 -895.282-100.032 113.411 1.00858.68 O ATOM 60345 C3* C B2864 -897.344-101.175 113.130 1.00858.68 C ATOM 60346 O3* C B2864 -898.563-101.067 112.405 1.00858.68 O ATOM 60347 C2* C B2864 -896.280-101.897 112.310 1.00858.68 C ATOM 60348 O2* C B2864 -896.368-101.604 110.929 1.00858.68 O ATOM 60349 C1* C B2864 -894.984-101.310 112.870 1.00858.68 C ATOM 60350 N1 C B2864 -894.378-102.150 113.915 1.00858.68 N ATOM 60351 C2 C B2864 -893.161-102.786 113.631 1.00858.68 C ATOM 60352 O2 C B2864 -892.646-102.622 112.518 1.00858.68 O ATOM 60353 N3 C B2864 -892.585-103.562 114.577 1.00858.68 N ATOM 60354 C4 C B2864 -893.173-103.716 115.765 1.00858.68 C ATOM 60355 N4 C B2864 -892.562-104.489 116.665 1.00858.68 N ATOM 60356 C5 C B2864 -894.410-103.082 116.077 1.00858.68 C ATOM 60357 C6 C B2864 -894.970-102.315 115.133 1.00858.68 C ATOM 60358 P G B2865 -899.502-102.361 112.242 1.00858.68 P ATOM 60359 O1P G B2865 -898.647-103.478 111.764 1.00858.68 O ATOM 60360 O2P G B2865 -900.704-101.972 111.464 1.00858.68 O ATOM 60361 O5* G B2865 -899.958-102.694 113.732 1.00858.68 O ATOM 60362 C5* G B2865 -899.693-103.967 114.312 1.00858.68 C ATOM 60363 C4* G B2865 -900.920-104.480 115.028 1.00858.68 C ATOM 60364 O4* G B2865 -901.012-103.882 116.345 1.00858.68 O ATOM 60365 C3* G B2865 -902.315-104.260 114.470 1.00858.68 C ATOM 60366 O3* G B2865 -902.622-105.104 113.369 1.00858.68 O ATOM 60367 C2* G B2865 -903.213-104.509 115.677 1.00858.68 C ATOM 60368 O2* G B2865 -903.499-105.877 115.878 1.00858.68 O ATOM 60369 C1* G B2865 -902.342-103.990 116.824 1.00858.68 C ATOM 60370 N9 G B2865 -902.766-102.674 117.290 1.00858.68 N ATOM 60371 C8 G B2865 -903.343-101.672 116.550 1.00858.68 C ATOM 60372 N7 G B2865 -903.626-100.609 117.258 1.00858.68 N ATOM 60373 C5 G B2865 -903.209-100.932 118.543 1.00858.68 C ATOM 60374 C6 G B2865 -903.251-100.175 119.740 1.00858.68 C ATOM 60375 O6 G B2865 -903.688 -99.031 119.917 1.00858.68 O ATOM 60376 N1 G B2865 -902.719-100.885 120.811 1.00858.68 N ATOM 60377 C2 G B2865 -902.209-102.157 120.741 1.00858.68 C ATOM 60378 N2 G B2865 -901.737-102.676 121.881 1.00858.68 N ATOM 60379 N3 G B2865 -902.162-102.873 119.630 1.00858.68 N ATOM 60380 C4 G B2865 -902.673-102.202 118.577 1.00858.68 C ATOM 60381 P A B2866 -904.083-105.038 112.710 1.00858.68 P ATOM 60382 O1P A B2866 -904.395-103.600 112.495 1.00858.68 O ATOM 60383 O2P A B2866 -905.004-105.877 113.516 1.00858.68 O ATOM 60384 O5* A B2866 -903.895-105.718 111.282 1.00858.68 O ATOM 60385 C5* A B2866 -902.981-105.171 110.343 1.00858.68 C ATOM 60386 C4* A B2866 -902.028-106.229 109.848 1.00858.68 C ATOM 60387 O4* A B2866 -901.138-106.648 110.918 1.00858.68 O ATOM 60388 C3* A B2866 -902.709-107.498 109.369 1.00858.68 C ATOM 60389 O3* A B2866 -903.076-107.389 108.002 1.00858.68 O ATOM 60390 C2* A B2866 -901.613-108.540 109.557 1.00858.68 C ATOM 60391 O2* A B2866 -900.702-108.561 108.478 1.00858.68 O ATOM 60392 C1* A B2866 -900.905-108.043 110.814 1.00858.68 C ATOM 60393 N9 A B2866 -901.422-108.716 112.006 1.00858.68 N ATOM 60394 C8 A B2866 -902.326-108.257 112.932 1.00858.68 C ATOM 60395 N7 A B2866 -902.636-109.138 113.850 1.00858.68 N ATOM 60396 C5 A B2866 -901.875-110.253 113.513 1.00858.68 C ATOM 60397 C6 A B2866 -901.757-111.528 114.087 1.00858.68 C ATOM 60398 N6 A B2866 -902.442-111.927 115.162 1.00858.68 N ATOM 60399 N1 A B2866 -900.902-112.398 113.510 1.00858.68 N ATOM 60400 C2 A B2866 -900.225-112.009 112.426 1.00858.68 C ATOM 60401 N3 A B2866 -900.257-110.843 111.786 1.00858.68 N ATOM 60402 C4 A B2866 -901.112-109.997 112.389 1.00858.68 C ATOM 60403 P G B2867 -904.066-108.484 107.361 1.00858.68 P ATOM 60404 O1P G B2867 -905.366-107.819 107.094 1.00858.68 O ATOM 60405 O2P G B2867 -904.025-109.697 108.220 1.00858.68 O ATOM 60406 O5* G B2867 -903.390-108.848 105.969 1.00858.68 O ATOM 60407 C5* G B2867 -903.829-109.971 105.203 1.00858.68 C ATOM 60408 C4* G B2867 -902.862-111.118 105.371 1.00858.68 C ATOM 60409 O4* G B2867 -902.756-111.440 106.779 1.00858.68 O ATOM 60410 C3* G B2867 -903.272-112.412 104.696 1.00858.68 C ATOM 60411 O3* G B2867 -902.797-112.431 103.355 1.00858.68 O ATOM 60412 C2* G B2867 -902.602-113.475 105.556 1.00858.68 C ATOM 60413 O2* G B2867 -901.248-113.688 105.211 1.00858.68 O ATOM 60414 C1* G B2867 -902.676-112.843 106.946 1.00858.68 C ATOM 60415 N9 G B2867 -903.849-113.289 107.687 1.00858.68 N ATOM 60416 C8 G B2867 -904.998-112.580 107.952 1.00858.68 C ATOM 60417 N7 G B2867 -905.879-113.272 108.629 1.00858.68 N ATOM 60418 C5 G B2867 -905.271-114.505 108.823 1.00858.68 C ATOM 60419 C6 G B2867 -905.736-115.669 109.484 1.00858.68 C ATOM 60420 O6 G B2867 -906.820-115.853 110.052 1.00858.68 O ATOM 60421 N1 G B2867 -904.794-116.691 109.443 1.00858.68 N ATOM 60422 C2 G B2867 -903.563-116.608 108.840 1.00858.68 C ATOM 60423 N2 G B2867 -902.789-117.699 108.908 1.00858.68 N ATOM 60424 N3 G B2867 -903.120-115.533 108.220 1.00858.68 N ATOM 60425 C4 G B2867 -904.016-114.526 108.250 1.00858.68 C ATOM 60426 P G B2868 -903.477-113.425 102.287 1.00858.68 P ATOM 60427 O1P G B2868 -904.922-113.092 102.224 1.00858.68 O ATOM 60428 O2P G B2868 -903.055-114.812 102.612 1.00858.68 O ATOM 60429 O5* G B2868 -902.803-113.015 100.903 1.00858.68 O ATOM 60430 C5* G B2868 -902.549-111.647 100.594 1.00858.68 C ATOM 60431 C4* G B2868 -901.205-111.513 99.917 1.00858.68 C ATOM 60432 O4* G B2868 -900.195-112.210 100.694 1.00858.68 O ATOM 60433 C3* G B2868 -901.097-112.097 98.527 1.00858.68 C ATOM 60434 O3* G B2868 -901.563-111.151 97.576 1.00858.68 O ATOM 60435 C2* G B2868 -899.609-112.384 98.396 1.00858.68 C ATOM 60436 O2* G B2868 -898.862-111.241 98.028 1.00858.68 O ATOM 60437 C1* G B2868 -899.246-112.798 99.820 1.00858.68 C ATOM 60438 N9 G B2868 -899.314-114.247 99.973 1.00858.68 N ATOM 60439 C8 G B2868 -900.430-115.017 100.191 1.00858.68 C ATOM 60440 N7 G B2868 -900.170-116.295 100.249 1.00858.68 N ATOM 60441 C5 G B2868 -898.793-116.373 100.065 1.00858.68 C ATOM 60442 C6 G B2868 -897.930-117.498 100.025 1.00858.68 C ATOM 60443 O6 G B2868 -898.218-118.696 100.143 1.00858.68 O ATOM 60444 N1 G B2868 -896.607-117.122 99.821 1.00858.68 N ATOM 60445 C2 G B2868 -896.167-115.831 99.671 1.00858.68 C ATOM 60446 N2 G B2868 -894.851-115.671 99.486 1.00858.68 N ATOM 60447 N3 G B2868 -896.961-114.773 99.705 1.00858.68 N ATOM 60448 C4 G B2868 -898.251-115.116 99.902 1.00858.68 C ATOM 60449 P U B2869 -901.885-111.637 96.078 1.00858.68 P ATOM 60450 O1P U B2869 -903.219-112.287 96.103 1.00858.68 O ATOM 60451 O2P U B2869 -900.709-112.402 95.586 1.00858.68 O ATOM 60452 O5* U B2869 -901.996-110.299 95.227 1.00858.68 O ATOM 60453 C5* U B2869 -902.887-109.253 95.607 1.00858.68 C ATOM 60454 C4* U B2869 -902.687-108.055 94.706 1.00858.68 C ATOM 60455 O4* U B2869 -901.317-107.601 94.860 1.00858.68 O ATOM 60456 C3* U B2869 -902.844-108.321 93.212 1.00858.68 C ATOM 60457 O3* U B2869 -904.190-108.185 92.765 1.00858.68 O ATOM 60458 C2* U B2869 -901.942-107.266 92.584 1.00858.68 C ATOM 60459 O2* U B2869 -902.579-106.008 92.476 1.00858.68 O ATOM 60460 C1* U B2869 -900.809-107.172 93.606 1.00858.68 C ATOM 60461 N1 U B2869 -899.655-108.017 93.268 1.00858.68 N ATOM 60462 C2 U B2869 -899.050-107.812 92.041 1.00858.68 C ATOM 60463 O2 U B2869 -899.434-106.972 91.245 1.00858.68 O ATOM 60464 N3 U B2869 -897.974-108.624 91.780 1.00858.68 N ATOM 60465 C4 U B2869 -897.452-109.601 92.603 1.00858.68 C ATOM 60466 O4 U B2869 -896.465-110.241 92.232 1.00858.68 O ATOM 60467 C5 U B2869 -898.133-109.756 93.852 1.00858.68 C ATOM 60468 C6 U B2869 -899.187-108.978 94.134 1.00858.68 C ATOM 60469 P C B2870 -904.867-109.350 91.885 1.00858.68 P ATOM 60470 O1P C B2870 -906.327-109.081 91.849 1.00858.68 O ATOM 60471 O2P C B2870 -904.374-110.658 92.381 1.00858.68 O ATOM 60472 O5* C B2870 -904.290-109.121 90.417 1.00858.68 O ATOM 60473 C5* C B2870 -905.042-108.409 89.442 1.00858.68 C ATOM 60474 C4* C B2870 -904.391-108.516 88.082 1.00858.68 C ATOM 60475 O4* C B2870 -902.979-108.200 88.209 1.00858.68 O ATOM 60476 C3* C B2870 -904.431-109.881 87.401 1.00858.68 C ATOM 60477 O3* C B2870 -905.631-110.049 86.658 1.00858.68 O ATOM 60478 C2* C B2870 -903.210-109.837 86.492 1.00858.68 C ATOM 60479 O2* C B2870 -903.460-109.178 85.269 1.00858.68 O ATOM 60480 C1* C B2870 -902.226-109.020 87.329 1.00858.68 C ATOM 60481 N1 C B2870 -901.354-109.889 88.130 1.00858.68 N ATOM 60482 C2 C B2870 -900.480-110.744 87.463 1.00858.68 C ATOM 60483 O2 C B2870 -900.438-110.709 86.226 1.00858.68 O ATOM 60484 N3 C B2870 -899.704-111.589 88.181 1.00858.68 N ATOM 60485 C4 C B2870 -899.774-111.589 89.512 1.00858.68 C ATOM 60486 N4 C B2870 -899.001-112.454 90.177 1.00858.68 N ATOM 60487 C5 C B2870 -900.641-110.708 90.221 1.00858.68 C ATOM 60488 C6 C B2870 -901.404-109.879 89.497 1.00858.68 C ATOM 60489 P U B2871 -906.081-111.529 86.211 1.00858.68 P ATOM 60490 O1P U B2871 -907.295-111.391 85.367 1.00858.68 O ATOM 60491 O2P U B2871 -906.126-112.382 87.426 1.00858.68 O ATOM 60492 O5* U B2871 -904.889-112.044 85.287 1.00858.68 O ATOM 60493 C5* U B2871 -904.798-111.645 83.921 1.00858.68 C ATOM 60494 C4* U B2871 -903.627-112.331 83.250 1.00858.68 C ATOM 60495 O4* U B2871 -902.417-112.056 84.002 1.00858.68 O ATOM 60496 C3* U B2871 -903.645-113.848 83.190 1.00858.68 C ATOM 60497 O3* U B2871 -904.448-114.316 82.114 1.00858.68 O ATOM 60498 C2* U B2871 -902.175-114.201 82.995 1.00858.68 C ATOM 60499 O2* U B2871 -901.771-114.126 81.644 1.00858.68 O ATOM 60500 C1* U B2871 -901.479-113.099 83.796 1.00858.68 C ATOM 60501 N1 U B2871 -901.022-113.566 85.112 1.00858.68 N ATOM 60502 C2 U B2871 -899.668-113.795 85.282 1.00858.68 C ATOM 60503 O2 U B2871 -898.850-113.616 84.392 1.00858.68 O ATOM 60504 N3 U B2871 -899.307-114.242 86.526 1.00858.68 N ATOM 60505 C4 U B2871 -900.144-114.478 87.598 1.00858.68 C ATOM 60506 O4 U B2871 -899.670-114.895 88.658 1.00858.68 O ATOM 60507 C5 U B2871 -901.528-114.214 87.345 1.00858.68 C ATOM 60508 C6 U B2871 -901.909-113.777 86.142 1.00858.68 C ATOM 60509 P U B2872 -904.979-115.835 82.124 1.00858.68 P ATOM 60510 O1P U B2872 -905.917-115.983 80.983 1.00858.68 O ATOM 60511 O2P U B2872 -905.443-116.156 83.498 1.00858.68 O ATOM 60512 O5* U B2872 -903.682-116.707 81.815 1.00858.68 O ATOM 60513 C5* U B2872 -903.089-116.694 80.522 1.00858.68 C ATOM 60514 C4* U B2872 -901.696-117.279 80.575 1.00858.68 C ATOM 60515 O4* U B2872 -900.936-116.610 81.614 1.00858.68 O ATOM 60516 C3* U B2872 -901.593-118.738 80.921 1.00858.68 C ATOM 60517 O3* U B2872 -901.754-119.492 79.727 1.00858.68 O ATOM 60518 C2* U B2872 -900.184-118.862 81.491 1.00858.68 C ATOM 60519 O2* U B2872 -899.200-119.010 80.489 1.00858.68 O ATOM 60520 C1* U B2872 -900.013-117.515 82.191 1.00858.68 C ATOM 60521 N1 U B2872 -900.288-117.609 83.632 1.00858.68 N ATOM 60522 C2 U B2872 -899.211-117.759 84.481 1.00858.68 C ATOM 60523 O2 U B2872 -898.059-117.791 84.086 1.00858.68 O ATOM 60524 N3 U B2872 -899.532-117.871 85.812 1.00858.68 N ATOM 60525 C4 U B2872 -900.794-117.848 86.365 1.00858.68 C ATOM 60526 O4 U B2872 -900.920-117.984 87.587 1.00858.68 O ATOM 60527 C5 U B2872 -901.858-117.675 85.423 1.00858.68 C ATOM 60528 C6 U B2872 -901.576-117.563 84.122 1.00858.68 C ATOM 60529 P G B2873 -901.806-121.098 79.805 1.00858.68 P ATOM 60530 O1P G B2873 -902.277-121.607 78.490 1.00858.68 O ATOM 60531 O2P G B2873 -902.536-121.478 81.044 1.00858.68 O ATOM 60532 O5* G B2873 -900.284-121.533 79.988 1.00858.68 O ATOM 60533 C5* G B2873 -899.936-122.811 80.506 1.00858.68 C ATOM 60534 C4* G B2873 -898.477-122.829 80.879 1.00858.68 C ATOM 60535 O4* G B2873 -898.156-121.594 81.571 1.00858.68 O ATOM 60536 C3* G B2873 -898.073-123.933 81.841 1.00858.68 C ATOM 60537 O3* G B2873 -897.766-125.139 81.158 1.00858.68 O ATOM 60538 C2* G B2873 -896.880-123.338 82.572 1.00858.68 C ATOM 60539 O2* G B2873 -895.676-123.495 81.846 1.00858.68 O ATOM 60540 C1* G B2873 -897.268-121.862 82.640 1.00858.68 C ATOM 60541 N9 G B2873 -897.955-121.503 83.876 1.00858.68 N ATOM 60542 C8 G B2873 -899.286-121.196 84.015 1.00858.68 C ATOM 60543 N7 G B2873 -899.624-120.921 85.241 1.00858.68 N ATOM 60544 C5 G B2873 -898.447-121.055 85.961 1.00858.68 C ATOM 60545 C6 G B2873 -898.195-120.886 87.346 1.00858.68 C ATOM 60546 O6 G B2873 -898.989-120.571 88.240 1.00858.68 O ATOM 60547 N1 G B2873 -896.859-121.123 87.653 1.00858.68 N ATOM 60548 C2 G B2873 -895.891-121.474 86.747 1.00858.68 C ATOM 60549 N2 G B2873 -894.659-121.663 87.243 1.00858.68 N ATOM 60550 N3 G B2873 -896.114-121.636 85.452 1.00858.68 N ATOM 60551 C4 G B2873 -897.403-121.410 85.132 1.00858.68 C ATOM 60552 P A B2874 -897.745-126.521 81.974 1.00858.68 P ATOM 60553 O1P A B2874 -897.722-127.628 80.982 1.00858.68 O ATOM 60554 O2P A B2874 -898.825-126.471 82.992 1.00858.68 O ATOM 60555 O5* A B2874 -896.344-126.498 82.728 1.00858.68 O ATOM 60556 C5* A B2874 -895.260-127.307 82.282 1.00858.68 C ATOM 60557 C4* A B2874 -894.388-127.702 83.447 1.00858.68 C ATOM 60558 O4* A B2874 -893.886-126.514 84.113 1.00858.68 O ATOM 60559 C3* A B2874 -895.110-128.498 84.539 1.00858.68 C ATOM 60560 O3* A B2874 -895.171-129.893 84.281 1.00858.68 O ATOM 60561 C2* A B2874 -894.304-128.159 85.785 1.00858.68 C ATOM 60562 O2* A B2874 -893.128-128.937 85.905 1.00858.68 O ATOM 60563 C1* A B2874 -893.938-126.698 85.517 1.00858.68 C ATOM 60564 N9 A B2874 -894.955-125.799 86.055 1.00858.68 N ATOM 60565 C8 A B2874 -895.830-124.999 85.365 1.00858.68 C ATOM 60566 N7 A B2874 -896.652-124.324 86.128 1.00858.68 N ATOM 60567 C5 A B2874 -896.288-124.698 87.416 1.00858.68 C ATOM 60568 C6 A B2874 -896.781-124.338 88.680 1.00858.68 C ATOM 60569 N6 A B2874 -897.789-123.485 88.867 1.00858.68 N ATOM 60570 N1 A B2874 -896.194-124.897 89.763 1.00858.68 N ATOM 60571 C2 A B2874 -895.186-125.753 89.575 1.00858.68 C ATOM 60572 N3 A B2874 -894.636-126.170 88.441 1.00858.68 N ATOM 60573 C4 A B2874 -895.241-125.602 87.385 1.00858.68 C ATOM 60574 P C B2875 -896.567-130.666 84.467 1.00858.68 P ATOM 60575 O1P C B2875 -896.333-132.109 84.201 1.00858.68 O ATOM 60576 O2P C B2875 -897.603-129.937 83.694 1.00858.68 O ATOM 60577 O5* C B2875 -896.890-130.487 86.015 1.00858.68 O ATOM 60578 C5* C B2875 -895.977-130.938 87.009 1.00858.68 C ATOM 60579 C4* C B2875 -896.354-130.377 88.356 1.00858.68 C ATOM 60580 O4* C B2875 -896.639-128.961 88.229 1.00858.68 O ATOM 60581 C3* C B2875 -897.624-130.871 89.020 1.00858.68 C ATOM 60582 O3* C B2875 -897.387-132.130 89.633 1.00858.68 O ATOM 60583 C2* C B2875 -897.967-129.779 90.026 1.00858.68 C ATOM 60584 O2* C B2875 -897.298-129.951 91.262 1.00858.68 O ATOM 60585 C1* C B2875 -897.431-128.529 89.324 1.00858.68 C ATOM 60586 N1 C B2875 -898.506-127.675 88.796 1.00858.68 N ATOM 60587 C2 C B2875 -899.455-127.150 89.678 1.00858.68 C ATOM 60588 O2 C B2875 -899.363-127.407 90.886 1.00858.68 O ATOM 60589 N3 C B2875 -900.451-126.375 89.192 1.00858.68 N ATOM 60590 C4 C B2875 -900.519-126.118 87.886 1.00858.68 C ATOM 60591 N4 C B2875 -901.520-125.349 87.448 1.00858.68 N ATOM 60592 C5 C B2875 -899.562-126.634 86.964 1.00858.68 C ATOM 60593 C6 C B2875 -898.583-127.403 87.458 1.00858.68 C ATOM 60594 P C B2876 -898.628-133.073 90.009 1.00858.68 P ATOM 60595 O1P C B2876 -898.087-134.315 90.611 1.00858.68 O ATOM 60596 O2P C B2876 -899.523-133.162 88.825 1.00858.68 O ATOM 60597 O5* C B2876 -899.388-132.256 91.145 1.00858.68 O ATOM 60598 C5* C B2876 -898.889-132.242 92.478 1.00858.68 C ATOM 60599 C4* C B2876 -900.024-132.082 93.462 1.00858.68 C ATOM 60600 O4* C B2876 -900.490-130.706 93.459 1.00858.68 O ATOM 60601 C3* C B2876 -901.289-132.889 93.240 1.00858.68 C ATOM 60602 O3* C B2876 -901.175-134.244 93.658 1.00858.68 O ATOM 60603 C2* C B2876 -902.320-132.112 94.047 1.00858.68 C ATOM 60604 O2* C B2876 -902.284-132.429 95.425 1.00858.68 O ATOM 60605 C1* C B2876 -901.857-130.670 93.842 1.00858.68 C ATOM 60606 N1 C B2876 -902.624-129.998 92.783 1.00858.68 N ATOM 60607 C2 C B2876 -903.783-129.299 93.133 1.00858.68 C ATOM 60608 O2 C B2876 -904.110-129.245 94.329 1.00858.68 O ATOM 60609 N3 C B2876 -904.513-128.700 92.166 1.00858.68 N ATOM 60610 C4 C B2876 -904.122-128.777 90.892 1.00858.68 C ATOM 60611 N4 C B2876 -904.879-128.180 89.969 1.00858.68 N ATOM 60612 C5 C B2876 -902.940-129.474 90.509 1.00858.68 C ATOM 60613 C6 C B2876 -902.228-130.062 91.478 1.00858.68 C ATOM 60614 P A B2877 -902.100-135.360 92.966 1.00858.68 P ATOM 60615 O1P A B2877 -901.532-136.693 93.298 1.00858.68 O ATOM 60616 O2P A B2877 -902.287-134.982 91.543 1.00858.68 O ATOM 60617 O5* A B2877 -903.502-135.211 93.707 1.00858.68 O ATOM 60618 C5* A B2877 -903.872-136.106 94.749 1.00858.68 C ATOM 60619 C4* A B2877 -905.376-136.173 94.867 1.00858.68 C ATOM 60620 O4* A B2877 -905.875-134.961 95.484 1.00858.68 O ATOM 60621 C3* A B2877 -906.194-136.244 93.592 1.00858.68 C ATOM 60622 O3* A B2877 -906.041-137.422 92.792 1.00858.68 O ATOM 60623 C2* A B2877 -907.580-135.783 94.029 1.00858.68 C ATOM 60624 O2* A B2877 -908.324-136.824 94.628 1.00858.68 O ATOM 60625 C1* A B2877 -907.226-134.748 95.101 1.00858.68 C ATOM 60626 N9 A B2877 -907.351-133.369 94.629 1.00858.68 N ATOM 60627 C8 A B2877 -906.785-132.809 93.508 1.00858.68 C ATOM 60628 N7 A B2877 -907.082-131.546 93.343 1.00858.68 N ATOM 60629 C5 A B2877 -907.898-131.248 94.423 1.00858.68 C ATOM 60630 C6 A B2877 -908.547-130.066 94.824 1.00858.68 C ATOM 60631 N6 A B2877 -908.467-128.914 94.155 1.00858.68 N ATOM 60632 N1 A B2877 -909.287-130.110 95.954 1.00858.68 N ATOM 60633 C2 A B2877 -909.367-131.267 96.625 1.00858.68 C ATOM 60634 N3 A B2877 -908.804-132.440 96.350 1.00858.68 N ATOM 60635 C4 A B2877 -908.073-132.365 95.223 1.00858.68 C TER 60636 A B2877 MASTER 2943 0 4 46 6 0 0 691013 32 32 515 END ./arbsrc_9167/lib/rna3d/Ecoli_1VOR_5S_rRNA.pdb0000644012664100000130000173626411213220015020504 0ustar arb_buildcodersHEADER RIBOSOME 06-OCT-04 1VOR TITLE CRYSTAL STRUCTURE OF FIVE 70S RIBOSOMES FROM ESCHERICHIA TITLE 2 COLI IN COMPLEX WITH PROTEIN Y. THIS FILE CONTAINS THE 50S TITLE 3 SUBUNIT OF ONE 70S RIBOSOME. THE ENTIRE CRYSTAL STRUCTURE TITLE 4 CONTAINS FIVE 70S RIBOSOMES AND IS DESCRIBED IN REMARK 400. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 23S RIBOSOMAL RNA; COMPND 3 CHAIN: B; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: 5S RIBOSOMAL RNA; COMPND 6 CHAIN: A; COMPND 7 MOL_ID: 3; COMPND 8 MOLECULE: 50S RIBOSOMAL PROTEIN L2; COMPND 9 CHAIN: D; COMPND 10 MOL_ID: 4; COMPND 11 MOLECULE: 50S RIBOSOMAL PROTEIN L3; COMPND 12 CHAIN: E; COMPND 13 MOL_ID: 5; COMPND 14 MOLECULE: 50S RIBOSOMAL PROTEIN L4; COMPND 15 CHAIN: F; COMPND 16 MOL_ID: 6; COMPND 17 MOLECULE: 50S RIBOSOMAL PROTEIN L5; COMPND 18 CHAIN: G; COMPND 19 MOL_ID: 7; COMPND 20 MOLECULE: 50S RIBOSOMAL PROTEIN L6; COMPND 21 CHAIN: H; COMPND 22 MOL_ID: 8; COMPND 23 MOLECULE: 50S RIBOSOMAL PROTEIN L9; COMPND 24 CHAIN: I; COMPND 25 MOL_ID: 9; COMPND 26 MOLECULE: 50S RIBOSOMAL PROTEIN L11; COMPND 27 CHAIN: J; COMPND 28 MOL_ID: 10; COMPND 29 MOLECULE: 50S RIBOSOMAL PROTEIN L13; COMPND 30 CHAIN: K; COMPND 31 MOL_ID: 11; COMPND 32 MOLECULE: 50S RIBOSOMAL PROTEIN L14; COMPND 33 CHAIN: L; COMPND 34 MOL_ID: 12; COMPND 35 MOLECULE: 50S RIBOSOMAL PROTEIN L15; COMPND 36 CHAIN: M; COMPND 37 MOL_ID: 13; COMPND 38 MOLECULE: 50S RIBOSOMAL PROTEIN L16; COMPND 39 CHAIN: N; COMPND 40 MOL_ID: 14; COMPND 41 MOLECULE: 50S RIBOSOMAL PROTEIN L17; COMPND 42 CHAIN: O; COMPND 43 MOL_ID: 15; COMPND 44 MOLECULE: 50S RIBOSOMAL PROTEIN L18; COMPND 45 CHAIN: P; COMPND 46 MOL_ID: 16; COMPND 47 MOLECULE: 50S RIBOSOMAL PROTEIN L19; COMPND 48 CHAIN: Q; COMPND 49 MOL_ID: 17; COMPND 50 MOLECULE: 50S RIBOSOMAL PROTEIN L20; COMPND 51 CHAIN: R; COMPND 52 MOL_ID: 18; COMPND 53 MOLECULE: 50S RIBOSOMAL PROTEIN L21; COMPND 54 CHAIN: S; COMPND 55 MOL_ID: 19; COMPND 56 MOLECULE: 50S RIBOSOMAL PROTEIN L22; COMPND 57 CHAIN: T; COMPND 58 MOL_ID: 20; COMPND 59 MOLECULE: 50S RIBOSOMAL PROTEIN L23; COMPND 60 CHAIN: U; COMPND 61 MOL_ID: 21; COMPND 62 MOLECULE: 50S RIBOSOMAL PROTEIN L24; COMPND 63 CHAIN: V; COMPND 64 MOL_ID: 22; COMPND 65 MOLECULE: GENERAL STRESS PROTEIN CTC; COMPND 66 CHAIN: W; COMPND 67 MOL_ID: 23; COMPND 68 MOLECULE: 50S RIBOSOMAL PROTEIN L27; COMPND 69 CHAIN: X; COMPND 70 MOL_ID: 24; COMPND 71 MOLECULE: 50S RIBOSOMAL PROTEIN L29; COMPND 72 CHAIN: Y; COMPND 73 MOL_ID: 25; COMPND 74 MOLECULE: 50S RIBOSOMAL PROTEIN L30; COMPND 75 CHAIN: Z; COMPND 76 MOL_ID: 26; COMPND 77 MOLECULE: 50S RIBOSOMAL PROTEIN L31; COMPND 78 CHAIN: 1; COMPND 79 MOL_ID: 27; COMPND 80 MOLECULE: 50S RIBOSOMAL PROTEIN L32; COMPND 81 CHAIN: 2; COMPND 82 MOL_ID: 28; COMPND 83 MOLECULE: 50S RIBOSOMAL PROTEIN L33; COMPND 84 CHAIN: 3; COMPND 85 MOL_ID: 29; COMPND 86 MOLECULE: 50S RIBOSOMAL PROTEIN L34; COMPND 87 CHAIN: 4; COMPND 88 MOL_ID: 30; COMPND 89 MOLECULE: 50S RIBOSOMAL PROTEIN L35; COMPND 90 CHAIN: 5; COMPND 91 MOL_ID: 31; COMPND 92 MOLECULE: 50S RIBOSOMAL PROTEIN L36; COMPND 93 CHAIN: 6; COMPND 94 MOL_ID: 32; COMPND 95 MOLECULE: 50S RIBOSOMAL PROTEIN L1P; COMPND 96 CHAIN: 7 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: BACTERIA; SOURCE 4 MOL_ID: 2; SOURCE 5 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 6 ORGANISM_COMMON: BACTERIA; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 9 ORGANISM_COMMON: BACTERIA; SOURCE 10 MOL_ID: 4; SOURCE 11 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 12 ORGANISM_COMMON: BACTERIA; SOURCE 13 MOL_ID: 5; SOURCE 14 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 15 ORGANISM_COMMON: BACTERIA; SOURCE 16 MOL_ID: 6; SOURCE 17 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 18 ORGANISM_COMMON: BACTERIA; SOURCE 19 MOL_ID: 7; SOURCE 20 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 21 ORGANISM_COMMON: BACTERIA; SOURCE 22 MOL_ID: 8; SOURCE 23 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 24 ORGANISM_COMMON: BACTERIA; SOURCE 25 MOL_ID: 9; SOURCE 26 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 27 ORGANISM_COMMON: BACTERIA; SOURCE 28 MOL_ID: 10; SOURCE 29 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 30 ORGANISM_COMMON: BACTERIA; SOURCE 31 MOL_ID: 11; SOURCE 32 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 33 ORGANISM_COMMON: BACTERIA; SOURCE 34 MOL_ID: 12; SOURCE 35 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 36 ORGANISM_COMMON: BACTERIA; SOURCE 37 MOL_ID: 13; SOURCE 38 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 39 ORGANISM_COMMON: BACTERIA; SOURCE 40 MOL_ID: 14; SOURCE 41 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 42 ORGANISM_COMMON: BACTERIA; SOURCE 43 MOL_ID: 15; SOURCE 44 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 45 ORGANISM_COMMON: BACTERIA; SOURCE 46 MOL_ID: 16; SOURCE 47 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 48 ORGANISM_COMMON: BACTERIA; SOURCE 49 MOL_ID: 17; SOURCE 50 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 51 ORGANISM_COMMON: BACTERIA; SOURCE 52 MOL_ID: 18; SOURCE 53 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 54 ORGANISM_COMMON: BACTERIA; SOURCE 55 MOL_ID: 19; SOURCE 56 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 57 ORGANISM_COMMON: BACTERIA; SOURCE 58 MOL_ID: 20; SOURCE 59 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 60 ORGANISM_COMMON: BACTERIA; SOURCE 61 MOL_ID: 21; SOURCE 62 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 63 ORGANISM_COMMON: BACTERIA; SOURCE 64 MOL_ID: 22; SOURCE 65 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 66 ORGANISM_COMMON: BACTERIA; SOURCE 67 MOL_ID: 23; SOURCE 68 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 69 ORGANISM_COMMON: BACTERIA; SOURCE 70 MOL_ID: 24; SOURCE 71 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 72 ORGANISM_COMMON: BACTERIA; SOURCE 73 MOL_ID: 25; SOURCE 74 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 75 ORGANISM_COMMON: BACTERIA; SOURCE 76 MOL_ID: 26; SOURCE 77 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 78 ORGANISM_COMMON: BACTERIA; SOURCE 79 MOL_ID: 27; SOURCE 80 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 81 ORGANISM_COMMON: BACTERIA; SOURCE 82 MOL_ID: 28; SOURCE 83 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 84 ORGANISM_COMMON: BACTERIA; SOURCE 85 MOL_ID: 29; SOURCE 86 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 87 ORGANISM_COMMON: BACTERIA; SOURCE 88 MOL_ID: 30; SOURCE 89 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 90 ORGANISM_COMMON: BACTERIA; SOURCE 91 MOL_ID: 31; SOURCE 92 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 93 ORGANISM_COMMON: BACTERIA; SOURCE 94 MOL_ID: 32; SOURCE 95 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 96 ORGANISM_COMMON: BACTERIA KEYWDS 30S RIBOSOMAL SUBUNIT, PROTEIN-RNA COMPLEX, PROTEIN-PROTEIN KEYWDS 2 COMPLEX, RNA-RNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.VILA-SANJURJO,B.S.SCHUWIRTH,C.W.HAU,J.H.CATE REVDAT 2 23-NOV-04 1VOR 1 SOURCE REVDAT 1 16-NOV-04 1VOR 0 JRNL AUTH A.VILA-SANJURJO,B.S.SCHUWIRTH,C.W.HAU,J.H.CATE JRNL TITL STRUCTURAL BASIS FOR THE CONTROL OF TRANSLATION JRNL TITL 2 INITIATION DURING STRESS. JRNL REF NAT.STRUCT.MOL.BIOL. V. 11 1054 2004 JRNL REFN US ISSN 1545-9993 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 11.50ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 11.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 500.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.9 REMARK 3 NUMBER OF REFLECTIONS : 62383 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.395 REMARK 3 FREE R VALUE : 0.401 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 6283 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 27859 REMARK 3 NUCLEIC ACID ATOMS : 63154 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 235 RIGID BODIES REFINEMENT, GROUPED REMARK 3 THIS ENTRY. COORDINATES USED FOR SOLVING AND REFINING THIS REMARK 3 STRUCTURE COMES MAINLY FROM PDB ENTRY, 1LNR, WHERE THE REMARK 3 SEQUENCE REPRESENTS THAT OF DEINOCOCCUS RADIODURANS. REMARK 4 REMARK 4 1VOR COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY THE NUCLEIC ACID DATABASE REMARK 100 ON 18-OCT-2004. REMARK 100 THE NDB ID CODE IS RR0086. REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-MAR-2004; 01-MAR-2004 REMARK 200 TEMPERATURE (KELVIN) : 110.0 REMARK 200 PH : 6.50 REMARK 200 NUMBER OF CRYSTALS USED : 3 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y; Y REMARK 200 RADIATION SOURCE : ALS ; ALS ; ALS REMARK 200 BEAMLINE : 8.3.1; 8.2.1; 8.2.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0; 1.2; 1.3 REMARK 200 MONOCHROMATOR : SI 111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315; ADSC REMARK 200 QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 62383 REMARK 200 RESOLUTION RANGE HIGH (A) : 11.500 REMARK 200 RESOLUTION RANGE LOW (A) : 500.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.9 REMARK 200 DATA REDUNDANCY : 6.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.18100 REMARK 200 FOR THE DATA SET : 7.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 11.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 11.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 77.9 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.46200 REMARK 200 FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRIES 1PNS, 1PNU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.50 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 9555 1/2+X,1/2+Y,1/2+Z REMARK 290 10555 1/2-X,1/2-Y,1/2+Z REMARK 290 11555 1/2-Y,1/2+X,1/2+Z REMARK 290 12555 1/2+Y,1/2-X,1/2+Z REMARK 290 13555 1/2-X,1/2+Y,1/2-Z REMARK 290 14555 1/2+X,1/2-Y,1/2-Z REMARK 290 15555 1/2+Y,1/2+X,1/2-Z REMARK 290 16555 1/2-Y,1/2-X,1/2-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 966.65000 REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 966.65000 REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 966.65000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 343.95000 REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 966.65000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 343.95000 REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 343.95000 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 966.65000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 32CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, A, D, E, F, G, H, I, J, REMARK 350 K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, 1, 2, 3, REMARK 350 4, 5, 6, 7 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 REMARK 400 THIS FILE, 1VOR, CONTAINS THE 50S SUBUNIT OF ONE 70S REMARK 400 RIBOSOME. THE ENTIRE CRYSTAL STRUCTURE CONTAINS FIVE 70S REMARK 400 RIBOSOMES AND ARE DEPOSITED UNDER: REMARK 400 70S RIBOSOME ONE: 1VOQ (30S SUBUNIT), 1VOR (50S SUBUNIT) REMARK 400 70S RIBOSOME TWO: 1VOS (30S SUBUNIT), 1VOU (50S SUBUNIT) REMARK 400 70S RIBOSOME THREE: 1VOV (30S SUBUNIT), 1VOW (50S SUBUNIT) REMARK 400 70S RIBOSOME FOUR: 1VOX (30S SUBUNIT), 1VOY (50S SUBUNIT) REMARK 400 70S RIBOSOME FIVE: 1VOZ (30S SUBUNIT), 1VP0 (50S SUBUNIT) REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 G A 122 REMARK 465 PRO F 1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI REMARK 500 N2 G B 2602 NE2 HIS 2 22 0.29 REMARK 500 N2 G B 699 C THR 4 4 0.36 REMARK 500 O1P U B 2398 OG1 THR 5 34 0.39 REMARK 500 O2P C B 2239 NH1 ARG X 14 0.40 REMARK 500 C1* U B 1141 CA TYR K 106 0.41 REMARK 500 C4* G B 338 CD2 HIS V 9 0.43 REMARK 500 O3* C B 2254 CG LYS N 86 0.43 REMARK 500 O5* G B 156 NH2 ARG 4 28 0.47 REMARK 500 N1 U B 2859 CB ASP 2 53 0.48 REMARK 500 O3* A B 511 CD GLN T 16 0.50 REMARK 500 O1P G B 1142 C GLN K 107 0.51 REMARK 500 O2P A B 490 CA PRO V 4 0.54 REMARK 500 O3* C B 915 OD1 ASP W 163 0.54 REMARK 500 NH2 ARG N 68 CG1 VAL W 117 0.54 REMARK 500 OG1 THR W 49 NE2 GLN W 132 0.54 REMARK 500 O4* A B 1143 CD LYS K 111 0.55 REMARK 500 C4* C B 915 OD2 ASP W 163 0.57 REMARK 500 N2 G B 1803 O ARG D 46 0.57 REMARK 500 C4* U B 2236 OG SER X 10 0.58 REMARK 500 O2* C B 2254 NZ LYS N 86 0.58 REMARK 500 C2* C B 915 CB ASP W 163 0.60 REMARK 500 C6 G B 1142 C THR K 104 0.60 REMARK 500 C3* A B 8 CG ASN K 36 0.61 REMARK 500 O6 G B 1142 O THR K 104 0.61 REMARK 500 O6 G B 2578 CG GLU D 237 0.61 REMARK 500 O1P G B 156 NH1 ARG 4 28 0.62 REMARK 500 O2* C B 2646 CE1 HIS H 111 0.62 REMARK 500 O1P A B 2577 N GLY D 236 0.63 REMARK 500 O6 G B 1142 C THR K 104 0.64 REMARK 500 O2P U A 106 C GLU W 90 0.64 REMARK 500 O5* U A 106 CD PRO W 91 0.64 REMARK 500 C3* A B 511 OE1 GLN T 16 0.65 REMARK 500 N3 A B 1796 OG SER D 51 0.65 REMARK 500 N3 G A 77 CZ TYR W 24 0.65 REMARK 500 C5* A B 512 N GLN T 16 0.67 REMARK 500 O5* A B 2577 O GLY D 235 0.67 REMARK 500 C2 U B 2859 CA ASP 2 53 0.67 REMARK 500 N2 G A 77 CD2 TYR W 24 0.67 REMARK 500 NH1 ARG E 19 O LYS Q 64 0.67 REMARK 500 N1 G B 1041 C SER 6 5 0.68 REMARK 500 O5* G B 3867 O LYS 7 42 0.68 REMARK 500 C5* G B 2495 O GLY K 108 0.68 REMARK 500 C5* U B 1044 CG1 VAL 6 16 0.69 REMARK 500 C3* U B 1141 N GLN K 107 0.69 REMARK 500 O1P A B 918 CB LEU W 120 0.70 REMARK 500 C2 G B 1041 C SER 6 5 0.71 REMARK 500 O2* C B 2462 CB ALA N 50 0.71 REMARK 500 C2* U B 2859 OD1 ASP 2 53 0.71 REMARK 500 N1 A B 2861 NZ LYS 2 40 0.71 REMARK 500 C2* U B 3122 NE2 GLN 7 162 0.72 REMARK 500 O1P U B 2057 C PRO D 228 0.73 REMARK 500 N7 G B 811 CZ ARG F 56 0.74 REMARK 500 O4 U B 2859 N TYR 2 52 0.74 REMARK 500 O3* A B 8 CB ASN K 36 0.75 REMARK 500 N3 A B 2861 CD LYS 2 40 0.75 REMARK 500 O2* A B 2448 CZ ARG N 57 0.76 REMARK 500 C5* G B 338 NE2 HIS V 9 0.77 REMARK 500 N9 G B 699 O TYR 4 5 0.78 REMARK 500 C1* G B 888 OE1 GLU W 165 0.78 REMARK 500 O2* G B 1805 O ASN D 44 0.78 REMARK 500 C5* U B 2236 CB SER X 10 0.78 REMARK 500 C3* A B 512 C LYS T 15 0.79 REMARK 500 O3* A B 891 N7 G B 893 0.79 REMARK 500 C4 A B 3866 N GLY 7 44 0.79 REMARK 500 O1P U B 187 ND2 ASN 4 29 0.80 REMARK 500 O1P G B 318 CG ASN T 10 0.80 REMARK 500 O2P C B 2399 CB GLN 5 32 0.81 REMARK 500 N3 U B 2859 N ASP 2 53 0.81 REMARK 500 P C A 97 CD LYS W 11 0.81 REMARK 500 P A B 491 CZ ARG V 3 0.82 REMARK 500 O2 U B 857 C2 U B 946 0.82 REMARK 500 O1P U B 916 CB ALA W 162 0.82 REMARK 500 N9 A B 3866 C LYS 7 43 0.82 REMARK 500 C5* G B 3867 O LYS 7 42 0.82 REMARK 500 O3* C A 96 CD LYS W 11 0.82 REMARK 500 C5* A B 512 CA GLN T 16 0.83 REMARK 500 O2P C B 2399 CA GLN 5 32 0.83 REMARK 500 O2* A B 2448 NH1 ARG N 57 0.83 REMARK 500 O2* C B 915 CB ASP W 163 0.84 REMARK 500 C1* U B 910 O1P A B 911 0.85 REMARK 500 O4* U B 917 CD1 LEU W 166 0.85 REMARK 500 C2 G A 92 O ALA N 22 0.85 REMARK 500 O3* A B 8 CG ASN K 36 0.86 REMARK 500 C1* U B 910 P A B 911 0.86 REMARK 500 O2* C B 915 CA ASP W 163 0.86 REMARK 500 C4 A B 3866 CA GLY 7 44 0.86 REMARK 500 O3* G A 105 CA PRO W 91 0.86 REMARK 500 O5* U B 824 CA GLY M 33 0.87 REMARK 500 C2 A B 1796 OG SER D 51 0.87 REMARK 500 NH2 ARG E 19 N SER Q 65 0.87 REMARK 500 O1P U B 680 O PHE M 48 0.88 REMARK 500 C3* C B 915 CG ASP W 163 0.88 REMARK 500 O1P A B 918 CA LEU W 120 0.88 REMARK 500 P G B 478 NH2 ARG 4 34 0.90 REMARK 500 N1 U B 910 O1P A B 911 0.90 REMARK 500 N2 G B 934 CD LYS X 25 0.90 REMARK 500 O2* U B 3122 OE1 GLN 7 162 0.90 REMARK 500 O3* U B 1141 CB GLN K 107 0.91 REMARK 500 C1* G A 77 OD1 ASN W 29 0.91 REMARK 500 O3* A B 490 NE ARG V 3 0.92 REMARK 500 O1P C B 700 CB LYS 4 2 0.92 REMARK 500 N2 G B 887 O GLU W 165 0.92 REMARK 500 CG GLU L 132 OE1 GLU Q 75 0.92 REMARK 500 OE2 GLU M 50 CE MET 5 58 0.92 REMARK 500 O3* U B 1141 CA GLN K 107 0.93 REMARK 500 O2 U B 1141 C GLY K 105 0.93 REMARK 500 O2 U B 1804 CB ARG D 46 0.93 REMARK 500 O2* C B 2254 CE LYS N 86 0.93 REMARK 500 O4 U B 2859 CA TYR 2 52 0.93 REMARK 500 C4* A B 512 N GLN T 16 0.94 REMARK 500 N9 A B 3866 O LYS 7 43 0.94 REMARK 500 N7 G B 2578 OE1 GLU D 237 0.94 REMARK 500 O1P G B 318 ND2 ASN T 10 0.95 REMARK 500 C4 U B 2859 C TYR 2 52 0.95 REMARK 500 C4 U B 2859 N ASP 2 53 0.95 REMARK 500 O1P A B 1746 CG2 VAL Q 124 0.96 REMARK 500 O2 C A 44 O THR G 90 0.96 REMARK 500 O5* A B 512 CA GLN T 16 0.97 REMARK 500 N3 G B 2760 NZ LYS K 149 0.97 REMARK 500 O1P A B 490 O ARG V 3 0.98 REMARK 500 O6 G B 761 NE ARG T 111 0.98 REMARK 500 O4* U B 916 O ASP W 163 0.98 REMARK 500 O3* C B 1829 O2* A B 1910 0.98 REMARK 500 C2* A B 2448 NH1 ARG N 57 0.98 REMARK 500 O4* C B 2748 CD LYS K 121 0.98 REMARK 500 C3* G A 105 CA PRO W 91 0.98 REMARK 500 P U A 106 CD PRO W 91 0.98 REMARK 500 O1P G B 156 CZ ARG 4 28 0.99 REMARK 500 O5* G B 506 O ASN T 82 0.99 REMARK 500 N2 G B 1041 O SER 6 5 0.99 REMARK 500 O2* U B 3122 CD GLN 7 162 0.99 REMARK 500 O2* G B 2862 O LEU 2 30 0.99 REMARK 500 O2P U A 106 N PRO W 91 0.99 REMARK 500 C4* A B 512 C LYS T 15 1.00 REMARK 500 O4* G B 1042 N VAL 6 7 1.00 REMARK 500 P G B 1142 CA GLN K 107 1.00 REMARK 500 O1P A B 1379 CD LYS 1 3 1.00 REMARK 500 N3 G A 77 CE1 TYR W 24 1.00 REMARK 500 C4 G A 77 CE1 TYR W 24 1.00 REMARK 500 O1P A B 2577 CA GLY D 236 1.01 REMARK 500 P U A 106 N PRO W 91 1.01 REMARK 500 C4* G B 338 NE2 HIS V 9 1.02 REMARK 500 C2 G B 887 O GLU W 165 1.02 REMARK 500 C2* U B 910 P A B 911 1.02 REMARK 500 C2 G B 699 C THR 4 4 1.03 REMARK 500 C8 G B 811 NH2 ARG F 56 1.03 REMARK 500 P G B 1142 C GLN K 107 1.03 REMARK 500 C2 G B 1803 O ARG D 46 1.03 REMARK 500 C2* U B 910 O5* A B 911 1.04 REMARK 500 O2P A B 918 CD1 LEU W 120 1.04 REMARK 500 C4* C B 2790 OG SER 2 42 1.04 REMARK 500 O2* C B 1134 O GLY 6 21 1.05 REMARK 500 C1* U B 3122 NE2 GLN 7 162 1.05 REMARK 500 C2 A B 3866 N ASP 7 45 1.06 REMARK 500 C6 A B 2861 NZ LYS 2 40 1.06 REMARK 500 P A B 1746 CG2 VAL Q 124 1.07 REMARK 500 O5* G B 2619 NH2 ARG K 125 1.07 REMARK 500 O3* G B 164 CA CYS 1 12 1.08 REMARK 500 C2 G B 1041 O SER 6 5 1.08 REMARK 500 N3 A B 1750 O2 U B 2675 1.08 REMARK 500 O2 C B 1828 C5* G B 1912 1.08 REMARK 500 N2 G A 92 N LYS N 23 1.08 REMARK 500 CZ ARG N 68 CG1 VAL W 117 1.08 REMARK 500 C4* G B 1042 N LYS 6 8 1.09 REMARK 500 O3* C B 1091 OD1 ASN J 125 1.09 REMARK 500 O1P U B 2057 CA PRO D 228 1.09 REMARK 500 O1P G B 115 NH2 ARG 4 19 1.10 REMARK 500 O5* A B 491 CZ ARG V 3 1.10 REMARK 500 O1P G B 2495 CA GLY K 109 1.10 REMARK 500 C3* A B 512 O LYS T 15 1.11 REMARK 500 O1P G B 1142 N GLY K 108 1.11 REMARK 500 P U B 2398 OG1 THR 5 34 1.11 REMARK 500 C3* A B 8 OD1 ASN K 36 1.12 REMARK 500 O1P A B 512 C GLN T 16 1.12 REMARK 500 O3* U B 868 ND1 HIS X 57 1.12 REMARK 500 C6 G B 1142 N GLY K 105 1.12 REMARK 500 C3* G A 105 CB PRO W 91 1.12 REMARK 500 C3* G B 338 CD2 HIS V 9 1.13 REMARK 500 O5* A B 491 NH2 ARG V 3 1.13 REMARK 500 O1P A B 512 O GLN T 16 1.13 REMARK 500 P G B 2619 NH2 ARG K 125 1.13 REMARK 500 O1P C A 97 CG LYS W 11 1.13 REMARK 500 C4* A B 489 CA SER V 5 1.14 REMARK 500 O2P C B 574 NE2 GLN S 79 1.14 REMARK 500 O1P G B 1142 O GLN K 107 1.14 REMARK 500 C2 G B 1142 N THR K 104 1.14 REMARK 500 C1* U B 2859 CB ASP 2 53 1.14 REMARK 500 C2 G A 92 C ALA N 22 1.14 REMARK 500 O2P G B 478 NH2 ARG 4 34 1.15 REMARK 500 C5* A B 490 CB ARG V 3 1.15 REMARK 500 O6 G B 761 CZ ARG T 111 1.15 REMARK 500 N7 G B 811 NH2 ARG F 56 1.15 REMARK 500 C5* U B 2236 OG SER X 10 1.15 REMARK 500 NH1 ARG E 19 C LYS Q 64 1.15 REMARK 500 O2* G B 23 OH TYR T 96 1.16 REMARK 500 C2 G B 699 N TYR 4 5 1.16 REMARK 500 O1P G B 1815 CB ILE D 54 1.16 REMARK 500 O1P G B 2619 CZ ARG K 125 1.16 REMARK 500 O1P U B 2398 CB THR 5 34 1.17 REMARK 500 C2 G B 2602 NE2 HIS 2 22 1.17 REMARK 500 N3 A B 2861 CE LYS 2 40 1.17 REMARK 500 O2P A B 706 CE1 HIS D 58 1.18 REMARK 500 C1* U B 917 CD1 LEU W 166 1.18 REMARK 500 O4* U B 2192 NZ LYS D 39 1.18 REMARK 500 C3* A B 8 ND2 ASN K 36 1.19 REMARK 500 O2P G B 165 O CYS 1 12 1.19 REMARK 500 O2P G B 478 CZ ARG 4 34 1.19 REMARK 500 C4* A B 511 OE1 GLN T 16 1.19 REMARK 500 C4* U B 910 O2P A B 911 1.19 REMARK 500 C3* C B 915 OD1 ASP W 163 1.19 REMARK 500 O1P A B 1043 N LYS 6 9 1.19 REMARK 500 O3* U B 2236 O SER X 10 1.19 REMARK 500 N2 G B 2602 CD2 HIS 2 22 1.19 REMARK 500 C2* A B 8 OD1 ASN K 36 1.21 REMARK 500 P G B 156 NH2 ARG 4 28 1.21 REMARK 500 O5* G B 227 NH2 ARG M 59 1.21 REMARK 500 C8 A B 3866 O LYS 7 43 1.21 REMARK 500 N3 G A 92 CA ALA N 22 1.21 REMARK 500 N2 G B 699 O THR 4 4 1.22 REMARK 500 O2* U B 910 O5* A B 911 1.22 REMARK 500 C4* C B 915 CG ASP W 163 1.22 REMARK 500 C2 U B 1141 O GLY K 105 1.22 REMARK 500 C3* C A 96 CE LYS W 11 1.22 REMARK 500 C2* G A 105 CB PRO W 91 1.22 REMARK 500 N3 G B 505 ND2 ASN T 82 1.23 REMARK 500 C2 G B 699 O THR 4 4 1.23 REMARK 500 C4* A B 1746 O LYS Q 126 1.23 REMARK 500 C5 A B 3866 CA GLY 7 44 1.23 REMARK 500 N3 A B 3866 C GLY 7 44 1.23 REMARK 500 C2* C B 2254 CE LYS N 86 1.23 REMARK 500 CD PRO L 113 CB GLU Q 75 1.23 REMARK 500 O3* G B 164 CB CYS 1 12 1.24 REMARK 500 O2* G B 741 CB THR D 17 1.24 REMARK 500 C5* C B 869 CB HIS X 57 1.24 REMARK 500 P A B 918 CB LEU W 120 1.24 REMARK 500 P A B 918 CG LEU W 120 1.24 REMARK 500 C2 G B 934 CD LYS X 25 1.24 REMARK 500 C5 A B 3866 N GLY 7 44 1.24 REMARK 500 O4* G B 3123 NE2 GLN 7 166 1.24 REMARK 500 N3 U B 2859 C TYR 2 52 1.24 REMARK 500 O1P C B 700 CG LYS 4 2 1.25 REMARK 500 O3* G B 1050 NZ LYS W 37 1.25 REMARK 500 O5* G B 1136 NE ARG 6 4 1.25 REMARK 500 C1* A B 3865 NZ LYS 7 43 1.25 REMARK 500 P A B 2577 O GLY D 235 1.25 REMARK 500 C5* A B 2577 CA GLY D 235 1.25 REMARK 500 C5 G B 2578 OE1 GLU D 237 1.25 REMARK 500 N2 G A 92 C ALA N 22 1.25 REMARK 500 P G B 227 NH2 ARG M 59 1.26 REMARK 500 O2P G B 419 CG GLU 7 197 1.26 REMARK 500 C4* A B 1043 O VAL 6 23 1.26 REMARK 500 C2* G B 1142 NZ LYS K 111 1.26 REMARK 500 C5* A B 1746 O LYS Q 126 1.26 REMARK 500 C8 A B 3866 C LYS 7 43 1.26 REMARK 500 C4 A B 2861 CE LYS 2 40 1.26 REMARK 500 O THR L 88 CB PHE Q 81 1.26 REMARK 500 O2P C B 463 NH2 ARG F 46 1.27 REMARK 500 P U B 824 CA GLY M 33 1.27 REMARK 500 N3 A B 862 NE2 GLN Z 21 1.27 REMARK 500 O4* U B 1141 CA TYR K 106 1.27 REMARK 500 N3 A B 1796 CB SER D 51 1.27 REMARK 500 C1* C B 1797 CG2 ILE D 49 1.27 REMARK 500 C4* C B 1829 C4* A B 1911 1.27 REMARK 500 O1P C B 2343 O ARG X 39 1.27 REMARK 500 C4* G B 2463 OE1 GLN N 47 1.27 REMARK 500 P A B 491 NE ARG V 3 1.28 REMARK 500 C1* A B 2448 CD ARG N 57 1.28 REMARK 500 C2 G A 77 CE2 TYR W 24 1.28 REMARK 500 O2P G B 165 C CYS 1 12 1.29 REMARK 500 O1P G B 227 CZ ARG M 59 1.29 REMARK 500 O2P A B 490 C PRO V 4 1.29 REMARK 500 O3* A B 511 NE2 GLN T 16 1.29 REMARK 500 N2 G B 699 CA THR 4 4 1.29 REMARK 500 O3* U B 868 CE1 HIS X 57 1.29 REMARK 500 O5* U B 1044 CG1 VAL 6 16 1.29 REMARK 500 C4* U B 1141 N GLN K 107 1.29 REMARK 500 C6 G B 2578 CD GLU D 237 1.29 REMARK 500 O2P C A 107 N GLU W 90 1.29 REMARK 500 N1 U B 857 O2 U B 946 1.30 REMARK 500 O2* A B 891 O6 G B 893 1.30 REMARK 500 O2P A B 1138 NH1 ARG 6 4 1.30 REMARK 500 O3* G A 105 CB PRO W 91 1.30 REMARK 500 O2* G B 164 SG CYS 1 12 1.31 REMARK 500 O3* A B 511 OE1 GLN T 16 1.31 REMARK 500 O4* C B 915 OD2 ASP W 163 1.31 REMARK 500 O1P A B 1349 NH2 ARG U 64 1.31 REMARK 500 N3 G B 1803 N GLY D 47 1.31 REMARK 500 O2* A B 2600 O GLY E 158 1.31 REMARK 500 O5* G B 318 OD1 ASN T 10 1.32 REMARK 500 O5* A B 491 NH1 ARG V 3 1.32 REMARK 500 O1P A B 1043 CA LYS 6 9 1.32 REMARK 500 O2* A B 1043 O VAL 6 16 1.32 REMARK 500 P A B 490 O ARG V 3 1.33 REMARK 500 O2P C B 574 CD GLN S 79 1.33 REMARK 500 C6 G B 1041 N SER 6 6 1.33 REMARK 500 C6 G B 1142 CA THR K 104 1.33 REMARK 500 N2 G B 2806 CE1 HIS 2 43 1.33 REMARK 500 C2* U B 2859 CG ASP 2 53 1.33 REMARK 500 P A B 490 C ARG V 3 1.34 REMARK 500 C4 G B 699 CA TYR 4 5 1.34 REMARK 500 C2 U B 857 O2 U B 946 1.34 REMARK 500 C3* G B 1142 NZ LYS K 111 1.34 REMARK 500 N1 G B 1142 N THR K 104 1.34 REMARK 500 C5* A B 1746 C LYS Q 126 1.34 REMARK 500 O1P U B 1789 CB LEU D 257 1.34 REMARK 500 P C B 2239 NH1 ARG X 14 1.34 REMARK 500 O2* G B 2463 NE2 GLN N 47 1.34 REMARK 500 O1P U B 2590 NZ LYS E 132 1.34 REMARK 500 N3 G A 92 C ALA N 22 1.34 REMARK 500 P C A 97 CG LYS W 11 1.34 REMARK 500 O1P A B 490 C ARG V 3 1.35 REMARK 500 O5* A B 490 C ARG V 3 1.35 REMARK 500 O2 U B 544 OH TYR R 45 1.35 REMARK 500 O4* U B 1141 CB TYR K 106 1.35 REMARK 500 C2 U B 1141 C GLY K 105 1.35 REMARK 500 N2 G B 1142 CG TYR K 103 1.35 REMARK 500 N4 C B 1581 NH2 ARG D 28 1.35 REMARK 500 C4 A B 1796 OG SER D 51 1.35 REMARK 500 O1P G B 2576 NH1 ARG D 239 1.35 REMARK 500 C5* A B 2577 C GLY D 235 1.35 REMARK 500 C2 G A 77 CZ TYR W 24 1.35 REMARK 500 C4 G A 77 CZ TYR W 24 1.35 REMARK 500 O2P C A 97 NZ LYS W 11 1.35 REMARK 500 O1P G B 115 CZ ARG 4 19 1.36 REMARK 500 C3* A B 512 CA LYS T 15 1.36 REMARK 500 O2* A B 512 CG LYS T 15 1.36 REMARK 500 O1P U B 597 C LYS M 28 1.36 REMARK 500 O3* G B 1042 CA LYS 6 8 1.36 REMARK 500 N1 A B 1437 O6 G B 1438 1.36 REMARK 500 O2* C B 1797 CD1 ILE D 49 1.36 REMARK 500 N6 A B 124 OG SER 4 45 1.37 REMARK 500 P G B 318 OD1 ASN T 10 1.37 REMARK 500 C5* A B 491 NH2 ARG V 3 1.37 REMARK 500 P A B 918 CD1 LEU W 120 1.37 REMARK 500 O5* A B 918 CG LEU W 120 1.37 REMARK 500 N1 G B 1041 CA SER 6 5 1.37 REMARK 500 O4* A B 3865 NZ LYS 7 43 1.37 REMARK 500 N9 A B 3866 N GLY 7 44 1.37 REMARK 500 C2* G B 2862 O LEU 2 30 1.37 REMARK 500 CZ ARG E 19 C LYS Q 64 1.37 REMARK 500 O GLY E 194 C GLN Q 2 1.37 REMARK 500 O2* U B 339 CE1 HIS V 77 1.38 REMARK 500 O2* C B 1018 O LEU K 135 1.38 REMARK 500 O3* G B 1045 NH2 ARG 6 18 1.38 REMARK 500 O2* C B 1828 O1P G B 1912 1.38 REMARK 500 C4* G B 2029 NH1 ARG 2 19 1.38 REMARK 500 O3* G B 2029 NH2 ARG 2 19 1.38 REMARK 500 C2* U B 3122 CD GLN 7 162 1.38 REMARK 500 O3* G B 2463 CG GLN N 47 1.38 REMARK 500 N2 G A 92 CA LYS N 23 1.38 REMARK 500 O LEU E 27 NH1 ARG Q 9 1.38 REMARK 500 NH2 ARG L 119 ND2 ASN Q 43 1.38 REMARK 500 O1P G B 227 NH1 ARG M 59 1.39 REMARK 500 C4* G B 818 OG SER M 41 1.39 REMARK 500 O2P U B 824 N GLY M 33 1.39 REMARK 500 C1* U B 857 O2 U B 946 1.39 REMARK 500 O4* A B 1043 CA VAL 6 23 1.39 REMARK 500 O2 C B 1797 CB ILE D 49 1.39 REMARK 500 O2* G B 1803 CD ARG D 46 1.39 REMARK 500 C5* G B 3867 C LYS 7 42 1.39 REMARK 500 O1P U B 2057 N VAL D 229 1.39 REMARK 500 N1 U B 2859 CA ASP 2 53 1.39 REMARK 500 C2 U B 2859 CB ASP 2 53 1.39 REMARK 500 N2 G A 77 CE2 TYR W 24 1.39 REMARK 500 O1P G B 227 NH2 ARG M 59 1.40 REMARK 500 O1P G B 318 OD1 ASN T 10 1.40 REMARK 500 P A B 491 NH2 ARG V 3 1.40 REMARK 500 N3 G B 699 N TYR 4 5 1.40 REMARK 500 N3 G B 699 CA TYR 4 5 1.40 REMARK 500 O1P C B 1380 SD MET 1 1 1.40 REMARK 500 O2 C B 2445 CD ARG N 120 1.40 REMARK 500 N2 G B 2461 CD1 ILE N 53 1.40 REMARK 500 O1P C B 2475 CG MET N 84 1.40 REMARK 500 C2 A B 2861 NZ LYS 2 40 1.40 REMARK 500 NH1 ARG E 176 CD1 ILE Q 16 1.40 REMARK 500 OD1 ASP L 85 CZ PHE Q 83 1.40 REMARK 500 C4* G B 338 CG HIS V 9 1.41 REMARK 500 C3* A B 489 O PRO V 4 1.41 REMARK 500 N7 G B 811 NH1 ARG F 56 1.41 REMARK 500 C3* U B 910 O2P A B 911 1.41 REMARK 500 C5 G B 1041 N SER 6 6 1.41 REMARK 500 N1 G B 1041 N SER 6 6 1.41 REMARK 500 P A B 1138 NH2 ARG 6 4 1.41 REMARK 500 C3* U B 3122 NE2 GLN 7 162 1.41 REMARK 500 O1P G B 2619 NH1 ARG K 125 1.41 REMARK 500 O2* C B 2765 CA GLY E 65 1.41 REMARK 500 O2* A B 2785 OD1 ASN E 60 1.41 REMARK 500 C4* A B 8 OD1 ASN K 36 1.42 REMARK 500 N6 A B 48 N6 A B 153 1.42 REMARK 500 O2P G B 478 NE ARG 4 34 1.42 REMARK 500 P A B 490 N PRO V 4 1.42 REMARK 500 C1* A B 512 CB LYS T 15 1.42 REMARK 500 O1P U B 824 C GLY M 33 1.42 REMARK 500 O3* A B 1040 CE LYS N 125 1.42 REMARK 500 C6 A B 2411 O ARG 1 28 1.42 REMARK 500 C1* C B 2446 OE2 GLU N 117 1.42 REMARK 500 O3* U B 2766 OE1 GLN E 64 1.42 REMARK 500 O2 U B 857 O2 U B 946 1.43 REMARK 500 N3 G B 887 O LEU W 166 1.43 REMARK 500 O6 G B 1402 N4 C B 1412 1.43 REMARK 500 O5* A B 2577 C GLY D 235 1.43 REMARK 500 O3* G A 105 C PRO W 91 1.43 REMARK 500 O GLU N 106 CG2 VAL W 113 1.43 REMARK 500 P G B 156 CZ ARG 4 28 1.44 REMARK 500 O2* G B 227 CZ ARG M 55 1.44 REMARK 500 C3* C B 1135 CG ARG 6 4 1.44 REMARK 500 O1P G B 1809 NE ARG D 63 1.44 REMARK 500 CG ASP L 85 CZ PHE Q 83 1.44 REMARK 500 CD2 TYR W 84 NH1 ARG W 128 1.44 REMARK 500 O2P A B 490 N PRO V 4 1.45 REMARK 500 C2 U B 857 C2 U B 946 1.45 REMARK 500 N2 G B 887 C GLU W 165 1.45 REMARK 500 O2 U B 910 C5* A B 911 1.45 REMARK 500 O1P G B 967 CB THR N 76 1.45 REMARK 500 O2P G B 1136 NH1 ARG 6 4 1.45 REMARK 500 C1* A B 3866 O LYS 7 43 1.45 REMARK 500 N1 A B 3866 N ASP 7 45 1.45 REMARK 500 P C B 2399 CB GLN 5 32 1.45 REMARK 500 O4* A B 2432 O2* A B 2551 1.45 REMARK 500 N2 G B 2602 CE1 HIS 2 22 1.45 REMARK 500 O1P G B 2797 N LYS E 111 1.45 REMARK 500 C2 A B 2861 CD LYS 2 40 1.45 REMARK 500 N6 A B 176 OE1 GLU 1 30 1.46 REMARK 500 O1P G B 478 NH2 ARG 4 34 1.46 REMARK 500 C5* A B 490 CA ARG V 3 1.46 REMARK 500 O2 C B 497 O ALA T 77 1.46 REMARK 500 C3* A B 511 CD GLN T 16 1.46 REMARK 500 C6 G B 699 CB TYR 4 5 1.46 REMARK 500 P G B 1142 O GLN K 107 1.46 REMARK 500 O1P A B 1746 CB VAL Q 124 1.46 REMARK 500 O2 U B 1804 CA ARG D 46 1.46 REMARK 500 O2* G B 2332 OE1 GLU X 29 1.46 REMARK 500 N3 G B 2602 CE1 HIS 2 22 1.46 REMARK 500 O1P G B 2619 NH2 ARG K 125 1.46 REMARK 500 N3 U B 2859 CA ASP 2 53 1.46 REMARK 500 O2 U B 857 N3 U B 946 1.47 REMARK 500 C2 A B 1081 O LYS J 9 1.47 REMARK 500 C2* U B 1141 N GLN K 107 1.47 REMARK 500 O1P U B 1817 N SER D 224 1.47 REMARK 500 C4* C B 1835 NZ LYS D 255 1.47 REMARK 500 CZ ARG L 119 ND2 ASN Q 43 1.47 REMARK 500 C8 G B 699 O TYR 4 5 1.48 REMARK 500 N3 G B 742 CG2 THR D 18 1.48 REMARK 500 N7 G B 1236 CD1 ILE S 71 1.48 REMARK 500 C2 U B 1804 CB ARG D 46 1.48 REMARK 500 O2P U B 2219 O VAL D 229 1.48 REMARK 500 O2 C B 2446 OE2 GLU N 117 1.48 REMARK 500 O6 G B 2578 CD GLU D 237 1.48 REMARK 500 O3* C A 96 CE LYS W 11 1.48 REMARK 500 C GLY E 194 N GLN Q 2 1.48 REMARK 500 O4* U B 917 CG LEU W 166 1.49 REMARK 500 O2P A B 918 CG LEU W 120 1.49 REMARK 500 O4* G B 1042 C SER 6 6 1.49 REMARK 500 N3 G B 1136 OG SER 6 5 1.49 REMARK 500 C2* U B 1141 C TYR K 106 1.49 REMARK 500 O3* G B 1142 NZ LYS K 111 1.49 REMARK 500 O1P A B 1582 CD1 LEU D 24 1.49 REMARK 500 O2P U B 1817 N GLY D 223 1.49 REMARK 500 O2P U B 1817 CA GLY D 223 1.49 REMARK 500 C4 G B 2464 NH1 ARG N 120 1.49 REMARK 500 O2* G B 2474 CD ARG N 83 1.49 REMARK 500 C4 U B 2859 CA TYR 2 52 1.49 REMARK 500 C2 A B 2861 CE LYS 2 40 1.49 REMARK 500 N1 G A 92 O ALA N 22 1.49 REMARK 500 C3* G B 164 CB CYS 1 12 1.50 REMARK 500 O3* G B 227 CD ARG M 55 1.50 REMARK 500 O2* G B 504 O PHE T 25 1.50 REMARK 500 O2* G B 505 N ASP T 83 1.50 REMARK 500 O1P G B 508 CE LYS T 19 1.50 REMARK 500 O2P G B 1042 CE LYS 6 8 1.50 REMARK 500 O1P C B 1808 OD1 ASN D 87 1.50 REMARK 500 P U B 1817 CA GLY D 223 1.50 REMARK 500 O2* C B 1885 N ALA D 242 1.50 REMARK 500 O2* G B 2309 ND2 ASN X 71 1.50 REMARK 500 O2* C B 2494 CA GLY K 108 1.50 REMARK 500 N3 G A 77 CE2 TYR W 24 1.50 REMARK 500 N3 G B 505 CG ASN T 82 1.51 REMARK 500 O3* U B 680 CE1 PHE M 48 1.51 REMARK 500 O6 G B 699 CD1 TYR 4 5 1.51 REMARK 500 O4* C B 1829 C4* A B 1911 1.51 REMARK 500 O4* C B 1829 O4* A B 1911 1.51 REMARK 500 C4* A B 2448 CE1 HIS N 58 1.51 REMARK 500 O2* C B 2500 N3 A B 2543 1.51 REMARK 500 P G B 2619 CZ ARG K 125 1.51 REMARK 500 C5* G B 156 NH2 ARG 4 28 1.52 REMARK 500 O2P G B 166 CZ3 TRP 1 36 1.52 REMARK 500 O2* G B 338 O HIS V 9 1.52 REMARK 500 N3 A B 891 N2 G B 893 1.52 REMARK 500 O4* U B 910 O1P A B 911 1.52 REMARK 500 P G B 1136 CD ARG 6 4 1.52 REMARK 500 O2 U B 1141 N TYR K 106 1.52 REMARK 500 C3* A B 1746 O LYS Q 126 1.52 REMARK 500 N3 G B 1803 C ARG D 46 1.52 REMARK 500 C2 A B 3866 C GLY 7 44 1.52 REMARK 500 P U B 2057 C PRO D 228 1.52 REMARK 500 C5* G B 2495 C GLY K 108 1.52 REMARK 500 O4* C B 2748 CG LYS K 121 1.52 REMARK 500 O5* G B 166 CZ2 TRP 1 36 1.53 REMARK 500 P G B 227 CZ ARG M 59 1.53 REMARK 500 C3* A B 490 NE ARG V 3 1.53 REMARK 500 O4* U B 910 P A B 911 1.53 REMARK 500 O1P A B 1138 NH2 ARG 6 4 1.53 REMARK 500 C1* U B 1141 C TYR K 106 1.53 REMARK 500 O2 U B 1141 CA GLY K 105 1.53 REMARK 500 C6 C B 2748 CE LYS K 121 1.53 REMARK 500 N2 G A 92 O ALA N 22 1.53 REMARK 500 CB SER L 87 CA PHE Q 83 1.53 REMARK 500 C4 G B 699 C TYR 4 5 1.54 REMARK 500 O1P U B 824 O GLY M 33 1.54 REMARK 500 C2 U B 857 N3 U B 946 1.54 REMARK 500 C2* C B 915 CG ASP W 163 1.54 REMARK 500 O3* G B 1070 CE MET J 74 1.54 REMARK 500 C1* U B 1141 N TYR K 106 1.54 REMARK 500 C2 G B 1142 C TYR K 103 1.54 REMARK 500 O6 G B 1401 O4 U B 1413 1.54 REMARK 500 O6 G B 1861 O ASN 7 199 1.54 REMARK 500 O2 C B 2008 CE2 TYR K 103 1.54 REMARK 500 N7 G B 2229 O GLY N 85 1.54 REMARK 500 N1 A B 2411 O ARG 1 28 1.54 REMARK 500 O2 U B 2470 O3* G B 2548 1.54 REMARK 500 C1* C B 2725 O GLN H 139 1.54 REMARK 500 O4* C B 2790 OG SER 2 42 1.54 REMARK 500 O2 U B 2859 CA ASP 2 53 1.54 REMARK 500 CD2 TYR W 84 NE ARG W 128 1.54 REMARK 500 O2P U B 416 NH2 ARG 7 217 1.55 REMARK 500 C3* G B 1042 N LYS 6 8 1.55 REMARK 500 O2P G B 1136 CD ARG 6 4 1.55 REMARK 500 O2P A B 1807 NH2 ARG D 88 1.55 REMARK 500 O5* G B 2495 O GLY K 108 1.55 REMARK 500 C2 G B 2602 CE1 HIS 2 22 1.55 REMARK 500 O1P G B 2760 O HIS K 145 1.55 REMARK 500 N3 G B 2760 CE LYS K 149 1.55 REMARK 500 O2* U B 2766 CA LYS E 61 1.55 REMARK 500 C2 G A 77 CD2 TYR W 24 1.55 REMARK 500 O2P U A 106 CA GLU W 90 1.55 REMARK 500 OG SER L 87 O PHE Q 81 1.55 REMARK 500 O1P G B 115 NH1 ARG 4 19 1.56 REMARK 500 P G B 156 NH1 ARG 4 28 1.56 REMARK 500 O3* A B 512 C LYS T 15 1.56 REMARK 500 O2* A B 512 CB LYS T 15 1.56 REMARK 500 C2 G B 699 CA TYR 4 5 1.56 REMARK 500 C4 G B 699 O TYR 4 5 1.56 REMARK 500 O3* G B 741 O THR D 17 1.56 REMARK 500 C5* U B 916 N ASP W 163 1.56 REMARK 500 N3 C B 1002 N1 G B 1174 1.56 REMARK 500 O3* G B 1042 C LYS 6 8 1.56 REMARK 500 O1P G B 1070 OD2 ASP J 114 1.56 REMARK 500 N3 G B 1142 N THR K 104 1.56 REMARK 500 O3* C B 2790 O SER 2 42 1.56 REMARK 500 O4* G A 77 OD1 ASN W 29 1.56 REMARK 500 O5* U A 106 CG PRO W 91 1.56 REMARK 500 N6 A B 124 CB SER 4 45 1.57 REMARK 500 O2P A B 490 CB PRO V 4 1.57 REMARK 500 N2 G B 503 OG SER T 74 1.57 REMARK 500 O2* A B 542 ND2 ASN R 41 1.57 REMARK 500 C3* A B 891 N7 G B 893 1.57 REMARK 500 O3* A B 891 C8 G B 893 1.57 REMARK 500 O3* C B 915 CG ASP W 163 1.57 REMARK 500 C2* G B 1041 O SER 6 6 1.57 REMARK 500 C4 A B 1750 O2 U B 2675 1.57 REMARK 500 N1 A B 3875 CB LYS 7 43 1.57 REMARK 500 C4* C B 2008 CA GLY K 105 1.57 REMARK 500 C5* A B 2577 O GLY D 235 1.57 REMARK 500 C5 G B 2578 CD GLU D 237 1.57 REMARK 500 NH2 ARG E 19 C LYS Q 64 1.57 REMARK 500 P U B 9 CB ASN K 36 1.58 REMARK 500 O2* G B 338 C HIS V 9 1.58 REMARK 500 O2* G B 338 CB HIS V 9 1.58 REMARK 500 O3* A B 489 N SER V 5 1.58 REMARK 500 C2* A B 512 CB LYS T 15 1.58 REMARK 500 O1P A B 1043 C LYS 6 8 1.58 REMARK 500 O6 G B 1488 N3 G B 1536 1.58 REMARK 500 N3 A B 1884 CD ARG D 244 1.58 REMARK 500 O3* G B 2463 CD GLN N 47 1.58 REMARK 500 O2* C B 2646 ND1 HIS H 111 1.58 REMARK 500 C3* U B 2859 OD1 ASP 2 53 1.58 REMARK 500 O2* G A 105 CB PRO W 91 1.58 REMARK 500 C2* C B 418 OE2 GLU 7 197 1.59 REMARK 500 O3* A B 512 CA LYS T 15 1.59 REMARK 500 O2P A B 539 CG ARG K 139 1.59 REMARK 500 N1 G B 699 O THR 4 4 1.59 REMARK 500 O1P G B 742 OG1 THR D 18 1.59 REMARK 500 C5 G B 761 NH2 ARG T 111 1.59 REMARK 500 N1 A B 970 NH2 ARG N 83 1.59 REMARK 500 C4 C B 1581 NH2 ARG D 28 1.59 REMARK 500 C2* C B 1828 O1P G B 1912 1.59 REMARK 500 O3* A B 3865 CE LYS 7 43 1.59 REMARK 500 O1P A B 2577 C GLY D 235 1.59 REMARK 500 O2* U B 2599 O MET E 156 1.59 REMARK 500 O2* C B 2725 C GLN H 139 1.59 REMARK 500 NH2 ARG E 19 CA SER Q 65 1.59 REMARK 500 O GLY E 194 CA GLN Q 2 1.59 REMARK 500 O2P G B 166 CH2 TRP 1 36 1.60 REMARK 500 O3* A B 490 CZ ARG V 3 1.60 REMARK 500 N1 G B 699 CB TYR 4 5 1.60 REMARK 500 C2 G B 1136 OG SER 6 5 1.60 REMARK 500 O3* U B 1141 N GLN K 107 1.60 REMARK 500 N1 G B 1142 CA THR K 104 1.60 REMARK 500 N3 G B 1803 CA GLY D 47 1.60 REMARK 500 C1* C B 1828 O1P G B 1912 1.60 REMARK 500 C4* C B 1885 O GLY D 241 1.60 REMARK 500 C2 G B 2760 NZ LYS K 149 1.60 REMARK 500 O2P C A 107 CA GLU W 90 1.60 REMARK 500 CZ ARG E 19 O LYS Q 64 1.60 REMARK 500 OG SER L 87 N PHE Q 83 1.60 REMARK 500 O2* G B 1803 CG ARG D 46 1.61 REMARK 500 C2* G B 1805 O ASN D 44 1.61 REMARK 500 C5* C B 1829 C4* A B 1911 1.61 REMARK 500 O2P C B 2239 CZ ARG X 14 1.61 REMARK 500 N3 C B 2645 CD2 TYR H 109 1.61 REMARK 500 O2P G B 2760 CG2 THR K 146 1.61 REMARK 500 C5 U B 2859 CG TYR 2 52 1.61 REMARK 500 CD2 TYR W 84 CZ ARG W 128 1.61 REMARK 500 O2* A B 511 CG GLN T 16 1.62 REMARK 500 O1P G B 811 O THR F 54 1.62 REMARK 500 N7 G B 1142 OG1 THR K 104 1.62 REMARK 500 C4* C B 1829 O4* A B 1911 1.62 REMARK 500 O2* G B 2256 CZ PHE N 14 1.62 REMARK 500 C2* A B 2448 CZ ARG N 57 1.62 REMARK 500 O2* C B 2671 O2* U B 2822 1.62 REMARK 500 N2 G B 2806 ND1 HIS 2 43 1.62 REMARK 500 C2 U B 2859 N ASP 2 53 1.62 REMARK 500 O2 C B 2860 CG PRO 2 34 1.62 REMARK 500 CA PHE L 91 CD ARG Q 79 1.62 REMARK 500 O2* A B 8 OD1 ASN K 36 1.63 REMARK 500 P G B 165 C CYS 1 12 1.63 REMARK 500 O2P C B 226 NH1 ARG 1 28 1.63 REMARK 500 C2* A B 512 CA LYS T 15 1.63 REMARK 500 O2* A B 512 CA LYS T 15 1.63 REMARK 500 O2P C B 968 CG1 VAL N 75 1.63 REMARK 500 O4* A B 1043 CG2 VAL 6 23 1.63 REMARK 500 O4* A B 1043 C VAL 6 23 1.63 REMARK 500 O4 U B 1072 CB PRO J 54 1.63 REMARK 500 O3* C B 1135 CD ARG 6 4 1.63 REMARK 500 O5* U B 1817 CA GLY D 223 1.63 REMARK 500 C5* A B 2448 CE1 HIS N 58 1.63 REMARK 500 O2P G B 419 CD GLU 7 197 1.64 REMARK 500 P A B 490 CA PRO V 4 1.64 REMARK 500 C5* A B 627 NH1 ARG F 100 1.64 REMARK 500 O2* A B 801 OG1 THR 4 4 1.64 REMARK 500 C4 G B 1041 N SER 6 6 1.64 REMARK 500 N1 U B 1141 CA TYR K 106 1.64 REMARK 500 O5* G B 1142 CA GLN K 107 1.64 REMARK 500 C5 C B 2399 NE2 GLN 5 32 1.64 REMARK 500 CD2 LEU E 195 CB GLN Q 2 1.64 REMARK 500 CG GLU L 132 CD GLU Q 75 1.64 REMARK 500 O1P U B 18 O GLY R 26 1.65 REMARK 500 C1* A B 1043 CA VAL 6 23 1.65 REMARK 500 C3* C B 1135 CD ARG 6 4 1.65 REMARK 500 C5* U B 2057 CB PRO D 228 1.65 REMARK 500 C6 G B 2578 CG GLU D 237 1.65 REMARK 500 NH1 ARG L 83 CD2 PHE Q 81 1.65 REMARK 500 O1P U B 187 CG ASN 4 29 1.66 REMARK 500 O6 G B 699 CG TYR 4 5 1.66 REMARK 500 C4* G B 818 CB SER M 41 1.66 REMARK 500 P C B 869 ND1 HIS X 57 1.66 REMARK 500 C4 G B 887 O LEU W 166 1.66 REMARK 500 O2* U B 910 P A B 911 1.66 REMARK 500 C5* G B 965 CE MET N 18 1.66 REMARK 500 O4* U B 1141 C TYR K 106 1.66 REMARK 500 O4* G B 1398 N3 A B 1416 1.66 REMARK 500 C6 G B 1402 N4 C B 1412 1.66 REMARK 500 C5* A B 1746 OXT LYS Q 126 1.66 REMARK 500 N2 G B 1803 C ARG D 46 1.66 REMARK 500 P A B 2577 C GLY D 235 1.66 REMARK 500 O2 U B 2859 OD2 ASP 2 53 1.66 REMARK 500 O3* G A 105 N PRO W 91 1.66 REMARK 500 C4* G B 227 NE ARG M 55 1.67 REMARK 500 O2P A B 491 NE ARG V 3 1.67 REMARK 500 O2* G B 505 C ASN T 82 1.67 REMARK 500 C4* G B 543 OD1 ASN R 41 1.67 REMARK 500 C6 G B 699 CG TYR 4 5 1.67 REMARK 500 N2 G B 699 N TYR 4 5 1.67 REMARK 500 O2P A B 777 NH2 ARG D 211 1.67 REMARK 500 C5 G B 811 NH1 ARG F 56 1.67 REMARK 500 N3 A B 891 C2 G B 893 1.67 REMARK 500 C6 U B 910 O1P A B 911 1.67 REMARK 500 O1P G B 965 CB MET N 18 1.67 REMARK 500 O2P A B 1138 CZ ARG 6 4 1.67 REMARK 500 O2* G B 1142 NZ LYS K 111 1.67 REMARK 500 N1 A B 1400 O6 G B 1414 1.67 REMARK 500 O4* U B 3122 NE2 GLN 7 162 1.67 REMARK 500 C6 C B 2399 NE2 GLN 5 32 1.67 REMARK 500 O3* A B 2618 NH1 ARG K 125 1.67 REMARK 500 O2* G B 2724 CA GLN H 143 1.67 REMARK 500 O2 C B 2790 NE2 HIS 2 43 1.67 REMARK 500 O4 U B 2859 C TYR 2 52 1.67 REMARK 500 C5* C A 107 N GLY W 89 1.67 REMARK 500 CB ASP L 85 CE2 PHE Q 83 1.67 REMARK 500 O4 U B 575 CG GLN S 79 1.68 REMARK 500 N7 G B 761 NH2 ARG T 111 1.68 REMARK 500 P U B 824 C GLY M 33 1.68 REMARK 500 C1* A B 891 C5 G B 893 1.68 REMARK 500 N3 G B 934 CG LYS X 25 1.68 REMARK 500 O3* G B 1042 N LYS 6 8 1.68 REMARK 500 P G B 1136 NE ARG 6 4 1.68 REMARK 500 O2P G B 1136 NE ARG 6 4 1.68 REMARK 500 C4* U B 1141 C TYR K 106 1.68 REMARK 500 O1P A B 1349 CZ ARG U 64 1.68 REMARK 500 O1P G B 1374 CG2 THR 1 52 1.68 REMARK 500 O4* A B 3866 O LYS 7 43 1.68 REMARK 500 N3 A B 1884 NE ARG D 244 1.68 REMARK 500 P A B 2577 CA GLY D 236 1.68 REMARK 500 O2 C B 2855 O GLY O 92 1.68 REMARK 500 C5 U B 2859 N ASP 2 53 1.68 REMARK 500 C2 G A 77 CE1 TYR W 24 1.68 REMARK 500 O GLY E 194 N GLN Q 2 1.68 REMARK 500 CG LEU E 195 CB GLN Q 2 1.68 REMARK 500 O3* A B 489 C PRO V 4 1.69 REMARK 500 P A B 490 C PRO V 4 1.69 REMARK 500 C2* U B 910 O2P A B 911 1.69 REMARK 500 C4* U B 917 CD2 LEU W 166 1.69 REMARK 500 N2 G B 1142 CB TYR K 103 1.69 REMARK 500 O1P G B 1815 CG2 ILE D 54 1.69 REMARK 500 O1P U B 1817 C GLY D 223 1.69 REMARK 500 O3* C B 2254 CD LYS N 86 1.69 REMARK 500 O2 C B 2445 NE ARG N 120 1.69 REMARK 500 O5* A B 2448 NE2 HIS N 58 1.69 REMARK 500 C3* A B 2448 NH1 ARG N 57 1.69 REMARK 500 C1* A B 2448 CG ARG N 57 1.69 REMARK 500 N3 G B 2464 NH1 ARG N 120 1.69 REMARK 500 C4 U B 2470 O2* G B 2548 1.69 REMARK 500 O2* C A 44 NE2 GLN G 63 1.69 REMARK 500 O2* G A 77 ND2 ASN W 29 1.69 REMARK 500 O2P C A 97 CE LYS W 11 1.69 REMARK 500 CB THR W 49 NE2 GLN W 132 1.69 REMARK 500 C1* G B 338 O HIS V 9 1.70 REMARK 500 C4* A B 512 CA LYS T 15 1.70 REMARK 500 O1P C B 827 O ARG S 83 1.70 REMARK 500 C5* G B 1042 N LYS 6 8 1.70 REMARK 500 P A B 1043 C LYS 6 8 1.70 REMARK 500 O4* A B 1043 CB VAL 6 23 1.70 REMARK 500 O2* A B 1043 C VAL 6 16 1.70 REMARK 500 O2P G B 1136 CZ ARG 6 4 1.70 REMARK 500 C3* U B 1141 CA GLN K 107 1.70 REMARK 500 O3* U B 1141 CG GLN K 107 1.70 REMARK 500 O1P G B 1148 CE2 PHE K 132 1.70 REMARK 500 C3* C B 1888 O1P G B 1889 1.70 REMARK 500 O2P C B 2237 NZ LYS X 4 1.70 REMARK 500 C1* G B 2463 CD1 LEU N 121 1.70 REMARK 500 O4 U B 2859 C TYR 2 51 1.70 REMARK 500 CD1 PHE L 91 CG ARG Q 79 1.70 REMARK 500 O ILE N 36 NH2 ARG W 74 1.70 REMARK 500 CG2 THR W 48 O ILE W 130 1.70 REMARK 500 O3* A B 8 ND2 ASN K 36 1.71 REMARK 500 O1P G B 15 NH1 ARG 2 20 1.71 REMARK 500 O2* G B 227 NH1 ARG M 55 1.71 REMARK 500 C5* G B 338 CD2 HIS V 9 1.71 REMARK 500 C3* C B 418 OE2 GLU 7 197 1.71 REMARK 500 N1 G B 1041 O SER 6 5 1.71 REMARK 500 O3* A B 1109 CD1 ILE J 7 1.71 REMARK 500 P C B 1380 SD MET 1 1 1.71 REMARK 500 N6 A B 1583 OG SER D 89 1.71 REMARK 500 N3 A B 3866 CA GLY 7 44 1.71 REMARK 500 C2 C B 2725 OE1 GLN H 143 1.71 REMARK 500 C1* G B 2760 CD LYS K 149 1.71 REMARK 500 O2* C B 2790 C SER 2 42 1.71 REMARK 500 N2 G A 77 CG TYR W 24 1.71 REMARK 500 N1 A B 6 N3 U B 2871 1.72 REMARK 500 C2* G B 338 O HIS V 9 1.72 REMARK 500 O2* A B 489 OG SER V 5 1.72 REMARK 500 C5* G B 506 O ASN T 82 1.72 REMARK 500 C5 G B 699 CA TYR 4 5 1.72 REMARK 500 C4* G B 1042 C VAL 6 7 1.72 REMARK 500 P A B 1043 N LYS 6 9 1.72 REMARK 500 O6 G B 1142 N GLY K 105 1.72 REMARK 500 N2 G B 1142 CA TYR K 103 1.72 REMARK 500 N1 G B 1438 O2 U B 1591 1.72 REMARK 500 O2* A B 1669 N2 G B 2797 1.72 REMARK 500 N2 G B 2032 SD MET E 156 1.72 REMARK 500 N7 G B 2229 C GLY N 85 1.72 REMARK 500 O1P C B 2239 NH2 ARG X 14 1.72 REMARK 500 O2 C A 44 C THR G 90 1.72 REMARK 500 C1* G A 77 CG ASN W 29 1.72 REMARK 500 C PHE L 91 NH1 ARG Q 79 1.72 REMARK 500 OG1 THR W 49 CD GLN W 132 1.72 REMARK 500 C4* A B 8 CG ASN K 36 1.73 REMARK 500 O5* G B 156 CZ ARG 4 28 1.73 REMARK 500 C4* G B 164 CB CYS 1 12 1.73 REMARK 500 O3* A B 512 O LYS T 15 1.73 REMARK 500 C6 G B 699 CD1 TYR 4 5 1.73 REMARK 500 C6 G B 761 NH2 ARG T 111 1.73 REMARK 500 O1P G B 967 CG2 THR N 76 1.73 REMARK 500 C2 G B 1041 N SER 6 6 1.73 REMARK 500 O2* G B 1142 CE LYS K 111 1.73 REMARK 500 O5* C B 1673 CZ ARG E 136 1.73 REMARK 500 N2 G B 1816 CD LYS D 252 1.73 REMARK 500 N3 A B 3866 O GLY 7 44 1.73 REMARK 500 O3* C B 2056 O PRO D 228 1.73 REMARK 500 O1P U B 2219 CG1 VAL D 229 1.73 REMARK 500 O5* U B 2236 CB SER X 10 1.73 REMARK 500 C3* C B 2254 CG LYS N 86 1.73 REMARK 500 O2* A B 2448 NE ARG N 57 1.73 REMARK 500 O2 U B 2599 O ALA E 157 1.73 REMARK 500 O2* G B 2760 CD LYS K 149 1.73 REMARK 500 O5* U B 2859 CE1 TYR 2 52 1.73 REMARK 500 C1* G B 2862 O LEU 2 30 1.73 REMARK 500 O2* C A 44 CD GLN G 63 1.73 REMARK 500 C4 G A 77 OH TYR W 24 1.73 REMARK 500 N3 G A 92 O ALA N 22 1.73 REMARK 500 P U A 106 CG PRO W 91 1.73 REMARK 500 CA PHE L 91 NE ARG Q 79 1.73 REMARK 500 O PHE L 91 NH1 ARG Q 79 1.73 REMARK 500 O4* G B 338 CD2 HIS V 9 1.74 REMARK 500 O4* G B 338 NE2 HIS V 9 1.74 REMARK 500 O2P G B 419 OE2 GLU 7 197 1.74 REMARK 500 O1P A B 491 NH2 ARG V 3 1.74 REMARK 500 O3* A B 511 CG GLN T 16 1.74 REMARK 500 N3 U B 857 N3 U B 946 1.74 REMARK 500 O2 U B 910 C4* A B 911 1.74 REMARK 500 O2P A B 1138 NH2 ARG 6 4 1.74 REMARK 500 O2* U B 1141 C TYR K 106 1.74 REMARK 500 N1 U B 1141 O GLY K 105 1.74 REMARK 500 C5 G B 1142 N GLY K 105 1.74 REMARK 500 N1 G B 1142 C THR K 104 1.74 REMARK 500 C2 G B 1803 C ARG D 46 1.74 REMARK 500 O2* G B 1805 C ASN D 44 1.74 REMARK 500 C5* C B 1829 C5* A B 1911 1.74 REMARK 500 C4 A B 3866 C LYS 7 43 1.74 REMARK 500 C2 A B 1884 CD ARG D 244 1.74 REMARK 500 N2 G B 2463 CD ARG N 120 1.74 REMARK 500 C2 U B 2470 O3* G B 2548 1.74 REMARK 500 N3 C A 44 CB THR G 90 1.74 REMARK 500 NH2 ARG N 68 CB VAL W 117 1.74 REMARK 500 O2* A B 6 CG PRO K 163 1.75 REMARK 500 O2* G B 156 NH2 ARG 4 35 1.75 REMARK 500 O2P A B 491 CZ ARG V 3 1.75 REMARK 500 C1* G B 699 O TYR 4 5 1.75 REMARK 500 C4 G B 742 CG2 THR D 18 1.75 REMARK 500 O2* C B 828 O3* U B 1176 1.75 REMARK 500 C4* C B 869 CB HIS X 57 1.75 REMARK 500 C2 A B 891 O2 C B 909 1.75 REMARK 500 C3* C B 915 CB ASP W 163 1.75 REMARK 500 O2* C B 1018 C LEU K 135 1.75 REMARK 500 C5* G B 1042 CD LYS 6 8 1.75 REMARK 500 C6 U B 1325 CE LYS U 61 1.75 REMARK 500 O2* G B 1356 C8 G B 1613 1.75 REMARK 500 N3 U B 1490 O2P C B 1535 1.75 REMARK 500 N2 G B 1805 CD ARG D 52 1.75 REMARK 500 O4* A B 3876 OD2 ASP 7 40 1.75 REMARK 500 O2P G B 2218 N ASP D 230 1.75 REMARK 500 N2 G B 2553 OG SER E 140 1.75 REMARK 500 C1* C B 2646 ND1 HIS H 111 1.75 REMARK 500 O4* U B 2672 O2* U B 2822 1.75 REMARK 500 O2 U B 2789 O LEU 2 41 1.75 REMARK 500 C4* G B 2862 OE2 GLU 2 32 1.75 REMARK 500 O3* G A 105 CG PRO W 91 1.75 REMARK 500 N1 A B 5 N3 U B 2872 1.76 REMARK 500 O6 G B 115 N6 A B 117 1.76 REMARK 500 O2P G B 165 N LYS 1 13 1.76 REMARK 500 O5* G B 166 CH2 TRP 1 36 1.76 REMARK 500 C3* A B 490 CD ARG V 3 1.76 REMARK 500 C5* C B 827 N THR S 84 1.76 REMARK 500 O2 U B 857 N1 U B 946 1.76 REMARK 500 N3 G B 887 O GLU W 165 1.76 REMARK 500 N2 G B 934 CG LYS X 25 1.76 REMARK 500 C2 G B 1041 CA SER 6 5 1.76 REMARK 500 O1P G B 1070 OD1 ASP J 114 1.76 REMARK 500 O5* G B 3867 C LYS 7 42 1.76 REMARK 500 C5* U B 2365 NH1 ARG X 39 1.76 REMARK 500 N1 C B 2446 OE2 GLU N 117 1.76 REMARK 500 O6 G B 2461 CG1 VAL N 54 1.76 REMARK 500 N3 U B 2470 O2* G B 2548 1.76 REMARK 500 P G B 2619 NH1 ARG K 125 1.76 REMARK 500 O2 C B 2790 CE1 HIS 2 43 1.76 REMARK 500 O2* U B 2859 OD1 ASP 2 53 1.76 REMARK 500 CA PHE L 91 NH1 ARG Q 79 1.76 REMARK 500 N1 U B 917 CD1 LEU W 166 1.77 REMARK 500 C4* A B 1143 CD LYS K 111 1.77 REMARK 500 O4* A B 1441 N6 A B 1587 1.77 REMARK 500 C4 A B 3866 C GLY 7 44 1.77 REMARK 500 O3* C B 2254 CB LYS N 86 1.77 REMARK 500 P G B 2255 CG LYS N 86 1.77 REMARK 500 O2* C B 2725 N LEU H 140 1.77 REMARK 500 CZ ARG E 176 CD1 ILE Q 16 1.77 REMARK 500 O2* G B 227 NH2 ARG M 55 1.78 REMARK 500 C5* G B 492 NH1 ARG V 3 1.78 REMARK 500 O2P A B 681 CE1 PHE M 48 1.78 REMARK 500 C2* G B 888 OE1 GLU W 165 1.78 REMARK 500 O2P G B 1142 O GLN K 107 1.78 REMARK 500 C5 G B 1142 OG1 THR K 104 1.78 REMARK 500 O4* A B 1143 CG LYS K 111 1.78 REMARK 500 O1P G B 1508 O GLY D 100 1.78 REMARK 500 N1 A B 1796 OG SER D 51 1.78 REMARK 500 C2 A B 1796 CB SER D 51 1.78 REMARK 500 C1* C B 2254 CE LYS N 86 1.78 REMARK 500 C1* C B 2334 CE LYS X 32 1.78 REMARK 500 C2* G B 2760 CD LYS K 149 1.78 REMARK 500 NH1 ARG E 176 CG1 ILE Q 16 1.78 REMARK 500 O4* C B 127 N2 G B 1360 1.79 REMARK 500 P G B 227 NH1 ARG M 59 1.79 REMARK 500 O2P G B 401 OE2 GLU 1 23 1.79 REMARK 500 O2* A B 489 CB SER V 5 1.79 REMARK 500 O2* A B 512 CD LYS T 15 1.79 REMARK 500 O2P C B 574 CG GLN S 79 1.79 REMARK 500 O4* G B 887 CA THR W 167 1.79 REMARK 500 N2 G B 1041 C SER 6 5 1.79 REMARK 500 N3 G B 1041 C SER 6 5 1.79 REMARK 500 C4* G B 1042 N VAL 6 7 1.79 REMARK 500 O1P G B 1070 CG ASP J 114 1.79 REMARK 500 O2 U B 1141 O GLY K 105 1.79 REMARK 500 N1 G B 1142 N GLY K 105 1.79 REMARK 500 O5* C B 1673 NH1 ARG E 136 1.79 REMARK 500 O4* C B 1829 C1* A B 1911 1.79 REMARK 500 O4* U B 2192 CE LYS D 39 1.79 REMARK 500 C6 G B 2578 OE2 GLU D 237 1.79 REMARK 500 C4 U B 2859 N TYR 2 52 1.79 REMARK 500 O2* U A 106 CD1 TYR W 88 1.79 REMARK 500 C4* C A 107 N GLY W 89 1.79 REMARK 500 CG TYR W 84 NE ARG W 128 1.79 REMARK 500 C5 C B 226 NH2 ARG 1 28 1.80 REMARK 500 P G B 419 CG GLU 7 197 1.80 REMARK 500 C3* A B 489 C PRO V 4 1.80 REMARK 500 P C B 596 O THR M 29 1.80 REMARK 500 O2* A B 966 O LYS N 86 1.80 REMARK 500 O3* C B 1091 CG ASN J 125 1.80 REMARK 500 O4* A B 1143 CE LYS K 111 1.80 REMARK 500 O6 G B 1488 C2 G B 1536 1.80 REMARK 500 O2P C B 1675 CD2 TRP E 134 1.80 REMARK 500 C5* C B 1835 NZ LYS D 255 1.80 REMARK 500 O2P G B 1861 O2P C B 1862 1.80 REMARK 500 O2* U B 3122 NE2 GLN 7 162 1.80 REMARK 500 C1* G B 2474 CD ARG N 83 1.80 REMARK 500 O2* C B 2646 NE2 HIS H 111 1.80 REMARK 500 O1P C A 96 O PRO W 10 1.80 REMARK 500 O1P C A 97 CD LYS W 11 1.80 REMARK 500 N THR E 7 OG1 THR Q 3 1.80 REMARK 500 CG ASP L 85 CE2 PHE Q 83 1.80 REMARK 500 CG PHE L 91 CD ARG Q 79 1.80 REMARK 500 CD1 TYR N 66 CG2 ILE W 115 1.80 REMARK 500 O2* G B 338 CA HIS V 9 1.81 REMARK 500 P A B 512 CA GLN T 16 1.81 REMARK 500 O1P U B 597 O LYS M 28 1.81 REMARK 500 N9 G B 699 C TYR 4 5 1.81 REMARK 500 O6 G B 761 CD ARG T 111 1.81 REMARK 500 O2P U B 824 N HIS M 34 1.81 REMARK 500 C1* A B 891 C6 G B 893 1.81 REMARK 500 C2 U B 910 O4* A B 911 1.81 REMARK 500 C3* C B 915 OD2 ASP W 163 1.81 REMARK 500 O4* A B 1043 O VAL 6 23 1.81 REMARK 500 O2P G B 1045 CG2 VAL 6 16 1.81 REMARK 500 N2 G B 1338 CG2 ILE T 107 1.81 REMARK 500 C4* G B 1809 NH1 ARG D 157 1.81 REMARK 500 C1* A B 3866 C LYS 7 43 1.81 REMARK 500 O2* C B 1885 C GLY D 241 1.81 REMARK 500 P U B 2057 O PRO D 228 1.81 REMARK 500 O2* A B 2372 N LEU M 60 1.81 REMARK 500 C2 C B 2446 OE2 GLU N 117 1.81 REMARK 500 C1* U B 2859 CG ASP 2 53 1.81 REMARK 500 C6 U B 2859 CB ASP 2 53 1.81 REMARK 500 O2P U A 106 O GLU W 90 1.81 REMARK 500 NH2 ARG E 176 OD2 ASP Q 19 1.81 REMARK 500 CA SER L 87 O PRO Q 82 1.81 REMARK 500 O2* C B 37 OG1 THR F 45 1.82 REMARK 500 O1P A B 221 ND2 ASN M 67 1.82 REMARK 500 C4* G B 338 CE1 HIS V 9 1.82 REMARK 500 N1 C B 596 CG2 THR M 29 1.82 REMARK 500 N1 G B 699 CA TYR 4 5 1.82 REMARK 500 O5* U B 824 N GLY M 33 1.82 REMARK 500 C2* U B 910 O1P A B 911 1.82 REMARK 500 O2* U B 910 O2P A B 911 1.82 REMARK 500 O4 U B 1044 CG LYS 6 15 1.82 REMARK 500 P G B 1142 CB GLN K 107 1.82 REMARK 500 C5* A B 1416 C1* U B 1485 1.82 REMARK 500 O2P A B 1453 O4 U B 1454 1.82 REMARK 500 O2P C B 1675 CE3 TRP E 134 1.82 REMARK 500 O6 G B 1744 O MET Q 125 1.82 REMARK 500 C2 G B 1805 CD ARG D 52 1.82 REMARK 500 O1P C B 1808 CG ASN D 87 1.82 REMARK 500 N9 A B 3866 CA GLY 7 44 1.82 REMARK 500 C4* U B 3122 NE2 GLN 7 162 1.82 REMARK 500 O2* A B 2448 NH2 ARG N 57 1.82 REMARK 500 O4* G B 2474 CG ARG N 83 1.82 REMARK 500 C5 A B 2861 NZ LYS 2 40 1.82 REMARK 500 P C A 97 CE LYS W 11 1.82 REMARK 500 C5* U A 106 CD PRO W 91 1.82 REMARK 500 O ALA M 58 SD MET 5 9 1.82 REMARK 500 O5* G B 338 NE2 HIS V 9 1.83 REMARK 500 P G B 419 CD GLU 7 197 1.83 REMARK 500 O5* A B 490 N PRO V 4 1.83 REMARK 500 C3* G B 818 OG SER M 41 1.83 REMARK 500 C4* U B 916 O ASP W 163 1.83 REMARK 500 C6 G B 1142 O THR K 104 1.83 REMARK 500 C2 A B 1750 O2 U B 2675 1.83 REMARK 500 N3 G B 1803 O ARG D 46 1.83 REMARK 500 O2* C B 1829 C2* A B 1910 1.83 REMARK 500 N2 G B 2463 CG ARG N 120 1.83 REMARK 500 P A B 2577 N GLY D 236 1.83 REMARK 500 NH1 ARG E 176 CA ILE Q 16 1.83 REMARK 500 C THR L 88 CB PHE Q 81 1.83 REMARK 500 CD GLU L 132 OE1 GLU Q 75 1.83 REMARK 500 N1 G B 7 O2 C B 2870 1.84 REMARK 500 C2* A B 8 CG ASN K 36 1.84 REMARK 500 C5* A B 490 C ARG V 3 1.84 REMARK 500 O5* A B 512 N GLN T 16 1.84 REMARK 500 C5* A B 512 CB GLN T 16 1.84 REMARK 500 N7 G B 699 CD1 TYR 4 5 1.84 REMARK 500 C5 G B 699 CD1 TYR 4 5 1.84 REMARK 500 C4* C B 700 O ARG 4 3 1.84 REMARK 500 C4* A B 1040 NZ LYS N 125 1.84 REMARK 500 C6 G B 1041 C SER 6 5 1.84 REMARK 500 C5* U B 1044 CB VAL 6 16 1.84 REMARK 500 O4* C B 1135 CG GLN 6 36 1.84 REMARK 500 C4 G B 1142 N THR K 104 1.84 REMARK 500 C1* A B 1143 CD LYS K 111 1.84 REMARK 500 O2P A B 1746 CG2 VAL Q 124 1.84 REMARK 500 O4* G B 3867 CB LYS 7 42 1.84 REMARK 500 O3* C B 2056 CB PRO D 228 1.84 REMARK 500 C3* G B 2463 CD GLN N 47 1.84 REMARK 500 O4 U B 2470 O2* G B 2548 1.84 REMARK 500 C2* C B 2646 CE1 HIS H 111 1.84 REMARK 500 N3 G A 77 CD1 TYR W 24 1.84 REMARK 500 C5* G B 338 CE1 HIS V 9 1.85 REMARK 500 O4* A B 625 NE ARG F 38 1.85 REMARK 500 O1P A B 918 N LEU W 120 1.85 REMARK 500 O1P G B 965 SD MET N 18 1.85 REMARK 500 O3* A B 1040 NZ LYS N 125 1.85 REMARK 500 N3 U B 1141 O GLY K 105 1.85 REMARK 500 C3* A B 1437 O5* G B 1438 1.85 REMARK 500 N2 G B 1488 N3 C B 1535 1.85 REMARK 500 O1P C B 1808 ND2 ASN D 87 1.85 REMARK 500 O2* C B 1828 P G B 1912 1.85 REMARK 500 C2 C B 2008 CE2 TYR K 103 1.85 REMARK 500 P C B 2239 CZ ARG X 14 1.85 REMARK 500 O2 C B 2343 CD LYS X 66 1.85 REMARK 500 N3 U B 2859 O TYR 2 52 1.85 REMARK 500 O4* C B 2860 OD2 ASP 2 53 1.85 REMARK 500 C4* G A 93 NZ LYS N 23 1.85 REMARK 500 C5* U A 106 CG PRO W 91 1.85 REMARK 500 CZ ARG E 19 N SER Q 65 1.85 REMARK 500 CA PHE L 91 CZ ARG Q 79 1.85 REMARK 500 P G B 478 CZ ARG 4 34 1.86 REMARK 500 C2* A B 512 CG LYS T 15 1.86 REMARK 500 O5* C B 596 O THR M 29 1.86 REMARK 500 O1P U B 597 CA LYS M 28 1.86 REMARK 500 O2* G B 741 OG1 THR D 17 1.86 REMARK 500 N9 G B 888 OE1 GLU W 165 1.86 REMARK 500 O2* A B 891 C6 G B 893 1.86 REMARK 500 O4* G B 1070 CD2 LEU J 115 1.86 REMARK 500 C2* U B 1141 CA TYR K 106 1.86 REMARK 500 N2 G B 1142 C TYR K 103 1.86 REMARK 500 P C B 1673 NH1 ARG E 136 1.86 REMARK 500 C2* G B 1803 CG ARG D 46 1.86 REMARK 500 N3 G B 1805 NE ARG D 52 1.86 REMARK 500 O1P G B 1809 CD ARG D 63 1.86 REMARK 500 C8 A B 3866 N GLY 7 44 1.86 REMARK 500 N1 C B 2008 OH TYR K 103 1.86 REMARK 500 C5* G B 2029 NH1 ARG 2 19 1.86 REMARK 500 O3* C B 2725 CG2 VAL H 141 1.86 REMARK 500 C5 A B 2861 CE LYS 2 40 1.86 REMARK 500 N1 G A 92 OE2 GLU N 39 1.86 REMARK 500 O2P C A 97 CG LYS W 11 1.86 REMARK 500 NH1 ARG L 83 CE2 PHE Q 81 1.86 REMARK 500 O3* G B 164 C CYS 1 12 1.87 REMARK 500 C5* A B 512 C LYS T 15 1.87 REMARK 500 C8 G B 811 CZ ARG F 56 1.87 REMARK 500 C5 G B 811 CZ ARG F 56 1.87 REMARK 500 N3 A B 886 CG2 THR W 167 1.87 REMARK 500 N2 G B 887 CB GLU W 165 1.87 REMARK 500 C1* C B 915 CB ASP W 163 1.87 REMARK 500 O2* A B 1043 CA VAL 6 16 1.87 REMARK 500 P U B 1092 OD1 ASN J 125 1.87 REMARK 500 C1* U B 1141 CB TYR K 106 1.87 REMARK 500 N3 G B 1142 CA TYR K 103 1.87 REMARK 500 N2 G B 1147 O GLY K 133 1.87 REMARK 500 C6 G B 1401 O4 U B 1413 1.87 REMARK 500 N1 G B 1401 C4 U B 1413 1.87 REMARK 500 O1P C B 1674 CB TRP E 134 1.87 REMARK 500 O4* A B 2448 CG ARG N 57 1.87 REMARK 500 C2* C B 2462 CB ALA N 50 1.87 REMARK 500 C2* C B 2646 ND1 HIS H 111 1.87 REMARK 500 C2 G A 77 CG TYR W 24 1.87 REMARK 500 OE1 GLU E 174 NE2 HIS Q 20 1.87 REMARK 500 N LEU E 195 N GLN Q 2 1.87 REMARK 500 O2* A B 6 NE2 GLN K 161 1.88 REMARK 500 N6 A B 6 O4 U B 2871 1.88 REMARK 500 O4* G B 24 OD2 ASP T 98 1.88 REMARK 500 O3* G B 227 NE ARG M 55 1.88 REMARK 500 C4* A B 489 N SER V 5 1.88 REMARK 500 O2 C B 497 C ALA T 77 1.88 REMARK 500 O4 U B 575 O GLN S 79 1.88 REMARK 500 O2P C B 596 CB ALA M 30 1.88 REMARK 500 O6 G B 761 NH2 ARG T 111 1.88 REMARK 500 O5* A B 763 O ARG T 109 1.88 REMARK 500 C1* G B 888 CD GLU W 165 1.88 REMARK 500 C2 A B 891 N2 G B 893 1.88 REMARK 500 O5* A B 918 CB LEU W 120 1.88 REMARK 500 O2 U B 1010 N2 G B 1168 1.88 REMARK 500 O2* A B 1109 CD1 ILE J 7 1.88 REMARK 500 C5 G B 1142 C THR K 104 1.88 REMARK 500 O2P C B 1235 O ILE S 69 1.88 REMARK 500 C5 G B 1377 CG LYS 1 3 1.88 REMARK 500 O3* A B 1437 C5* G B 1438 1.88 REMARK 500 N3 A B 1796 CA SER D 51 1.88 REMARK 500 C4 A B 1796 CB SER D 51 1.88 REMARK 500 C5* G B 1809 NH1 ARG D 63 1.88 REMARK 500 O2P G B 1815 CG2 ILE D 54 1.88 REMARK 500 C5* U B 2057 CG PRO D 228 1.88 REMARK 500 C4* U B 2236 CB SER X 10 1.88 REMARK 500 C3* U B 2236 OG SER X 10 1.88 REMARK 500 O2* U B 2365 CD1 LEU X 37 1.88 REMARK 500 O4* A B 2600 CA GLY E 158 1.88 REMARK 500 C2* C B 2725 O GLN H 139 1.88 REMARK 500 C5 G A 77 CE1 TYR W 24 1.88 REMARK 500 O1P C B 186 NH1 ARG 4 33 1.89 REMARK 500 O2* G B 215 O4* A B 618 1.89 REMARK 500 O2P C B 574 CB GLN S 79 1.89 REMARK 500 O3* G B 818 OG SER M 41 1.89 REMARK 500 P U B 824 N GLY M 33 1.89 REMARK 500 N3 A B 891 N1 G B 893 1.89 REMARK 500 O2P A B 918 CD2 LEU W 120 1.89 REMARK 500 C2 G B 934 CG LYS X 25 1.89 REMARK 500 C1* G B 1042 N VAL 6 7 1.89 REMARK 500 C3* U B 1141 C TYR K 106 1.89 REMARK 500 O2* G B 1237 O GLY S 85 1.89 REMARK 500 C2 A B 1397 N4 C B 1418 1.89 REMARK 500 C2 A B 1437 O6 G B 1438 1.89 REMARK 500 N7 A B 3866 N GLY 7 44 1.89 REMARK 500 C2 A B 3875 CB LYS 7 43 1.89 REMARK 500 O1P U B 2009 O GLY K 105 1.89 REMARK 500 C1* U B 3122 CD GLN 7 162 1.89 REMARK 500 O2* G B 2310 CG2 ILE X 70 1.89 REMARK 500 O2 C B 2446 CD GLU N 117 1.89 REMARK 500 O4* G B 2463 OE1 GLN N 47 1.89 REMARK 500 O2* G B 2474 CG ARG N 83 1.89 REMARK 500 O3* A B 2600 CB HIS E 159 1.89 REMARK 500 CB ALA N 29 OD1 ASN W 119 1.89 REMARK 500 O2* A B 6 CD PRO K 163 1.90 REMARK 500 C5 C B 574 OE1 GLN S 79 1.90 REMARK 500 O1P U B 680 C PHE M 48 1.90 REMARK 500 N7 G B 811 NE ARG F 56 1.90 REMARK 500 O5* G B 818 CA SER M 41 1.90 REMARK 500 O2P U B 824 CA GLY M 33 1.90 REMARK 500 C3* A B 1043 O VAL 6 23 1.90 REMARK 500 C2* C B 1135 CG ARG 6 4 1.90 REMARK 500 O2 U B 1176 O2* C B 1198 1.90 REMARK 500 N7 G B 1377 CG LYS 1 3 1.90 REMARK 500 O3* A B 1416 O2* U B 1485 1.90 REMARK 500 N6 A B 1437 N2 G B 1439 1.90 REMARK 500 O2 C B 1828 O5* G B 1912 1.90 REMARK 500 C3* C B 1829 O2* A B 1910 1.90 REMARK 500 N1 A B 2355 OD1 ASP P 90 1.90 REMARK 500 C3* G B 2463 OE1 GLN N 47 1.90 REMARK 500 C1* G B 2474 CG ARG N 83 1.90 REMARK 500 O3* G B 2576 O GLY D 235 1.90 REMARK 500 O2* C B 2790 N HIS 2 43 1.90 REMARK 500 C5 U B 2859 C TYR 2 52 1.90 REMARK 500 O2* C B 2860 O PRO 2 34 1.90 REMARK 500 O2P C A 97 CD LYS W 11 1.90 REMARK 500 C1* A B 8 OD1 ASN K 36 1.91 REMARK 500 P G B 165 CA CYS 1 12 1.91 REMARK 500 O2P G B 227 NH1 ARG M 59 1.91 REMARK 500 C3* A B 489 CA SER V 5 1.91 REMARK 500 O1P C B 675 CG2 THR M 26 1.91 REMARK 500 P A B 681 CE1 PHE M 48 1.91 REMARK 500 C6 G B 761 CZ ARG T 111 1.91 REMARK 500 O1P A B 1043 O LYS 6 8 1.91 REMARK 500 C4 G B 1136 O ARG 6 4 1.91 REMARK 500 C5* U B 1141 N GLY K 108 1.91 REMARK 500 O1P G B 1149 CA ALA K 130 1.91 REMARK 500 O2P A B 1378 CE1 HIS 1 40 1.91 REMARK 500 O1P U B 2057 O PRO D 228 1.91 REMARK 500 O4* U B 2236 OG SER X 10 1.91 REMARK 500 P C B 2237 O SER X 10 1.91 REMARK 500 C2* C B 2254 NZ LYS N 86 1.91 REMARK 500 N1 C B 2334 CE LYS X 32 1.91 REMARK 500 O3* A B 2618 CZ ARG K 125 1.91 REMARK 500 N3 C B 2645 CE2 TYR H 109 1.91 REMARK 500 O2* C B 2768 N1 A B 2866 1.91 REMARK 500 O2 C B 2860 CB PRO 2 34 1.91 REMARK 500 O2* G B 2862 C LEU 2 30 1.91 REMARK 500 C2 G A 77 CD1 TYR W 24 1.91 REMARK 500 C3* C B 596 OG1 THR M 29 1.92 REMARK 500 C1* U B 917 CG LEU W 166 1.92 REMARK 500 O5* A B 918 CD1 LEU W 120 1.92 REMARK 500 N4 C B 1003 O6 G B 1173 1.92 REMARK 500 C6 G B 1142 N THR K 104 1.92 REMARK 500 O2P G B 1670 O6 G B 2797 1.92 REMARK 500 O2 C B 1786 CE LYS D 252 1.92 REMARK 500 C1* G B 1806 NH2 ARG D 52 1.92 REMARK 500 O4* C B 1829 C2* A B 1911 1.92 REMARK 500 P U B 2057 CA PRO D 228 1.92 REMARK 500 C1* G B 3123 NE2 GLN 7 166 1.92 REMARK 500 O4* C B 2334 CD LYS X 32 1.92 REMARK 500 O5* C B 2399 CB GLN 5 32 1.92 REMARK 500 N2 G B 2461 CG1 ILE N 53 1.92 REMARK 500 O2* G B 2463 CD GLN N 47 1.92 REMARK 500 N3 G A 77 OH TYR W 24 1.92 REMARK 500 P U A 106 CA PRO W 91 1.92 REMARK 500 CD1 PHE L 91 CD ARG Q 79 1.92 REMARK 500 NH1 ARG N 68 CG1 VAL W 117 1.92 REMARK 500 O1P G B 156 NE ARG 4 28 1.93 REMARK 500 C2* A B 176 CG2 ILE 1 31 1.93 REMARK 500 P A B 491 NH1 ARG V 3 1.93 REMARK 500 C2* A B 511 OE1 GLN T 16 1.93 REMARK 500 O4* A B 512 CB LYS T 15 1.93 REMARK 500 O1P A B 627 NH2 ARG F 100 1.93 REMARK 500 C2 A B 862 NE2 GLN Z 21 1.93 REMARK 500 C1* U B 916 O ASP W 163 1.93 REMARK 500 N3 G B 1041 N SER 6 6 1.93 REMARK 500 C3* G B 1045 NH2 ARG 6 18 1.93 REMARK 500 C2 U B 1141 N TYR K 106 1.93 REMARK 500 N3 A B 1143 OG1 THR K 101 1.93 REMARK 500 O4 U B 1485 N6 A B 1538 1.93 REMARK 500 N3 A B 3866 N ASP 7 45 1.93 REMARK 500 C1* C B 2008 CE2 TYR K 103 1.93 REMARK 500 C3* C B 2254 CD LYS N 86 1.93 REMARK 500 O5* A B 2448 CE1 HIS N 58 1.93 REMARK 500 O1P C B 2815 O GLN O 50 1.93 REMARK 500 N1 U B 2859 CG ASP 2 53 1.93 REMARK 500 N3 A A 78 CG2 VAL W 22 1.93 REMARK 500 C5* G A 93 NZ LYS N 23 1.93 REMARK 500 O THR L 88 CG PHE Q 81 1.93 REMARK 500 N PHE L 91 NH1 ARG Q 79 1.93 REMARK 500 CD PRO L 113 CA GLU Q 75 1.93 REMARK 500 OE2 GLU L 132 OE2 GLU Q 75 1.93 REMARK 500 N2 G B 7 O2 C B 2870 1.94 REMARK 500 O2* U B 317 O2P A B 1224 1.94 REMARK 500 O2P C B 332 CG2 THR F 130 1.94 REMARK 500 O1P C B 596 O THR M 29 1.94 REMARK 500 O5* C B 596 O LYS M 28 1.94 REMARK 500 C4* C B 686 CG1 VAL F 74 1.94 REMARK 500 C5* G B 742 OG1 THR D 18 1.94 REMARK 500 O4* G B 818 CB SER M 41 1.94 REMARK 500 O2* G B 872 C2 A B 2247 1.94 REMARK 500 O4* G B 888 OE1 GLU W 165 1.94 REMARK 500 C4* C B 915 OD1 ASP W 163 1.94 REMARK 500 O4* U B 917 CD2 LEU W 166 1.94 REMARK 500 C4* A B 1043 C VAL 6 23 1.94 REMARK 500 N3 G B 1142 C TYR K 103 1.94 REMARK 500 C3* A B 1453 O5* U B 1454 1.94 REMARK 500 O1P U B 1810 CG ARG D 157 1.94 REMARK 500 N3 A B 3866 N GLY 7 44 1.94 REMARK 500 O1P U B 2236 N SER X 10 1.94 REMARK 500 O2* A B 2333 CG1 VAL X 31 1.94 REMARK 500 O2P C B 2399 C GLN 5 32 1.94 REMARK 500 O1P G A 52 ND2 ASN P 63 1.94 REMARK 500 O5* U A 106 N PRO W 91 1.94 REMARK 500 C4* A B 8 ND2 ASN K 36 1.95 REMARK 500 O3* A B 8 OD1 ASN K 36 1.95 REMARK 500 O3* G B 215 O2* U B 617 1.95 REMARK 500 O3* C B 426 O2* C B 1862 1.95 REMARK 500 O5* A B 490 O ARG V 3 1.95 REMARK 500 O2P A B 491 CD ARG V 3 1.95 REMARK 500 N9 G B 887 O LEU W 166 1.95 REMARK 500 N2 G B 887 CA GLU W 165 1.95 REMARK 500 C5* C B 915 OD2 ASP W 163 1.95 REMARK 500 O1P A B 918 C LEU W 120 1.95 REMARK 500 O1P U B 1044 O CYS 6 14 1.95 REMARK 500 O5* G B 1136 CZ ARG 6 4 1.95 REMARK 500 C2 G B 1142 CA TYR K 103 1.95 REMARK 500 C5* G B 1237 CB ARG S 87 1.95 REMARK 500 O4* G B 1398 C2 A B 1416 1.95 REMARK 500 N1 G B 1401 N3 U B 1413 1.95 REMARK 500 O6 G B 1504 O ASP D 99 1.95 REMARK 500 C4* G B 3867 O LYS 7 42 1.95 REMARK 500 C5* G B 2218 CA ASP D 230 1.95 REMARK 500 C2* G B 2474 CD ARG N 83 1.95 REMARK 500 O2 C B 2725 OE1 GLN H 143 1.95 REMARK 500 C2 A B 2861 CG LYS 2 40 1.95 REMARK 500 O2* U A 106 CB TYR W 88 1.95 REMARK 500 CD1 LEU E 195 CG GLN Q 2 1.95 REMARK 500 CB PHE L 91 CD ARG Q 79 1.95 REMARK 500 O4* A B 8 OD1 ASN K 36 1.96 REMARK 500 C3* G B 227 NE ARG M 55 1.96 REMARK 500 O2P A B 490 O PRO V 4 1.96 REMARK 500 O5* A B 490 CA ARG V 3 1.96 REMARK 500 O2P A B 491 NH1 ARG V 3 1.96 REMARK 500 C1* A B 512 CG LYS T 15 1.96 REMARK 500 O4* U B 910 O2P A B 911 1.96 REMARK 500 O2* C B 915 C ASP W 163 1.96 REMARK 500 N3 C B 1003 N1 G B 1173 1.96 REMARK 500 O2P U B 1044 CG LYS 6 9 1.96 REMARK 500 N9 G B 1136 O ARG 6 4 1.96 REMARK 500 O2* U B 1141 O TYR K 106 1.96 REMARK 500 O1P G B 1142 CA GLY K 108 1.96 REMARK 500 C2 A B 1400 O6 G B 1414 1.96 REMARK 500 N4 C B 1581 CZ ARG D 28 1.96 REMARK 500 O2P C B 1674 CD1 TRP E 134 1.96 REMARK 500 C4* G B 1805 N ASN D 44 1.96 REMARK 500 C2* U B 3122 OE1 GLN 7 162 1.96 REMARK 500 O5* U B 2398 O HIS 5 31 1.96 REMARK 500 O2* A B 2861 O CYS 2 33 1.96 REMARK 500 C2* G A 77 ND2 ASN W 29 1.96 REMARK 500 C PHE L 91 CZ ARG Q 79 1.96 REMARK 500 O1P G B 147 CZ PHE 1 49 1.97 REMARK 500 C4* G B 338 ND1 HIS V 9 1.97 REMARK 500 C4* A B 490 CB ARG V 3 1.97 REMARK 500 O4* G B 505 CB ASN T 78 1.97 REMARK 500 P C B 574 NE2 GLN S 79 1.97 REMARK 500 C5* C B 869 CG HIS X 57 1.97 REMARK 500 C4* U B 910 P A B 911 1.97 REMARK 500 C8 G B 1236 CD1 ILE S 71 1.97 REMARK 500 C6 A B 1437 O6 G B 1438 1.97 REMARK 500 O2P C B 1673 NH1 ARG E 136 1.97 REMARK 500 C2* C B 1797 CD1 ILE D 49 1.97 REMARK 500 C5* U B 1817 N SER D 224 1.97 REMARK 500 C6 C B 2008 OH TYR K 103 1.97 REMARK 500 O2P G B 2218 C VAL D 229 1.97 REMARK 500 N7 G B 2229 CA GLY N 85 1.97 REMARK 500 O2* G B 2464 CA GLY N 123 1.97 REMARK 500 C4* C B 2748 CD LYS K 121 1.97 REMARK 500 CG PRO L 113 N GLY Q 76 1.97 REMARK 500 O2* U B 339 NE2 HIS V 77 1.98 REMARK 500 O3* A B 489 O ARG V 3 1.98 REMARK 500 C2 A B 511 CB LYS T 12 1.98 REMARK 500 P A B 512 C GLN T 16 1.98 REMARK 500 C1* U B 910 O5* A B 911 1.98 REMARK 500 P G B 1042 CD LYS 6 8 1.98 REMARK 500 O1P G B 1042 CD LYS 6 8 1.98 REMARK 500 N1 U B 1141 N TYR K 106 1.98 REMARK 500 C8 G B 1142 O TYR K 106 1.98 REMARK 500 O6 G B 1142 CA THR K 104 1.98 REMARK 500 N3 U B 1176 O2 C B 1198 1.98 REMARK 500 O6 G B 1483 N3 U B 1539 1.98 REMARK 500 N2 G B 1652 O4* U B 1752 1.98 REMARK 500 O1P G B 1670 N1 G B 2797 1.98 REMARK 500 O3* C B 1745 CG2 VAL Q 124 1.98 REMARK 500 O3* G B 1809 NH1 ARG D 157 1.98 REMARK 500 P G B 1815 CG2 ILE D 54 1.98 REMARK 500 C5 A B 2411 O ARG 1 28 1.98 REMARK 500 N2 G B 2760 NZ LYS K 149 1.98 REMARK 500 O1P U A 106 CD PRO W 91 1.98 REMARK 500 O2P U A 106 CD PRO W 91 1.98 REMARK 500 O2* C B 37 CB THR F 45 1.99 REMARK 500 O1P G B 122 O3* C B 1389 1.99 REMARK 500 P G B 318 CG ASN T 10 1.99 REMARK 500 O3* G B 338 CD2 HIS V 9 1.99 REMARK 500 C3* A B 489 N SER V 5 1.99 REMARK 500 O1P A B 490 N PRO V 4 1.99 REMARK 500 C5* A B 512 C GLN T 16 1.99 REMARK 500 C1* G B 658 O1P G B 2330 1.99 REMARK 500 O2P U B 824 O GLY M 31 1.99 REMARK 500 N3 U B 910 O4* A B 911 1.99 REMARK 500 O1P G B 965 CG MET N 18 1.99 REMARK 500 C8 G B 1042 CA SER 6 6 1.99 REMARK 500 C8 G B 1042 CB SER 6 6 1.99 REMARK 500 O1P U B 1092 OD1 ASN J 125 1.99 REMARK 500 P G B 1136 CZ ARG 6 4 1.99 REMARK 500 C5 G B 1136 O ARG 6 4 1.99 REMARK 500 O2P A B 1239 CG LYS S 73 1.99 REMARK 500 N1 G B 1488 N4 C B 1535 1.99 REMARK 500 O2* G B 2332 CD GLU X 29 1.99 REMARK 500 O2* G B 2464 N GLY N 123 1.99 REMARK 500 O4* G B 2505 O1P C B 2722 1.99 REMARK 500 O4* C B 2723 CD LYS H 150 1.99 REMARK 500 C4* G A 105 N VAL W 92 1.99 REMARK 500 CD PRO L 113 C GLU Q 75 1.99 REMARK 500 N1 G B 7 C2 C B 2870 2.00 REMARK 500 O2* C B 58 NH1 ARG Y 44 2.00 REMARK 500 O2P G B 115 O1P U B 118 2.00 REMARK 500 O1P G B 121 O2* C B 1388 2.00 REMARK 500 C2 A B 511 CA LYS T 12 2.00 REMARK 500 P A B 512 O GLN T 16 2.00 REMARK 500 O1P A B 512 N GLN T 17 2.00 REMARK 500 O1P A B 628 NH1 ARG F 100 2.00 REMARK 500 O4 U B 857 N3 U B 943 2.00 REMARK 500 O2* C B 915 CG ASP W 163 2.00 REMARK 500 O1P U B 916 CA ALA W 162 2.00 REMARK 500 O4 U B 969 N ASP N 21 2.00 REMARK 500 C2* C B 1134 O GLY 6 21 2.00 REMARK 500 N7 G B 1236 CG1 ILE S 71 2.00 REMARK 500 N2 G B 1414 N1 G B 1484 2.00 REMARK 500 N1 A B 1486 O4 U B 1537 2.00 REMARK 500 N1 U B 1804 CB ARG D 46 2.00 REMARK 500 O2P G B 1816 CD1 ILE D 54 2.00 REMARK 500 C1* A B 3865 CE LYS 7 43 2.00 REMARK 500 N1 C B 2008 CE2 TYR K 103 2.00 REMARK 500 C4* G B 2029 CZ ARG 2 19 2.00 REMARK 500 O5* U B 2057 CB PRO D 228 2.00 REMARK 500 C3* C B 2254 CE LYS N 86 2.00 REMARK 500 O2P G B 2255 CA LYS N 86 2.00 REMARK 500 O1P G B 2495 N GLY K 109 2.00 REMARK 500 O2* C B 2598 NZ LYS E 154 2.00 REMARK 500 C5* U B 2766 CB GLN E 64 2.00 REMARK 500 C5 U B 2859 CD1 TYR 2 52 2.00 REMARK 500 C5* C A 107 CA GLY W 89 2.00 REMARK 500 NH1 ARG E 19 CA LYS Q 64 2.00 REMARK 500 CD ARG E 176 CG ASP Q 19 2.00 REMARK 500 C ILE N 36 NH2 ARG W 74 2.00 REMARK 500 N1 G B 7 N3 C B 2870 2.01 REMARK 500 N2 G B 47 O1P U B 154 2.01 REMARK 500 P G B 166 CH2 TRP 1 36 2.01 REMARK 500 C3* G B 338 CG HIS V 9 2.01 REMARK 500 O1P C B 574 N TYR S 80 2.01 REMARK 500 C6 G B 699 CA TYR 4 5 2.01 REMARK 500 N3 G B 699 C THR 4 4 2.01 REMARK 500 C5* G B 704 NZ LYS D 218 2.01 REMARK 500 O2P A B 718 O6 G B 738 2.01 REMARK 500 O4* G B 742 OG1 THR D 18 2.01 REMARK 500 C6 G B 811 NH1 ARG F 56 2.01 REMARK 500 C5* U B 824 CA GLY M 33 2.01 REMARK 500 C2* A B 886 CB THR W 167 2.01 REMARK 500 O2* A B 886 CB THR W 167 2.01 REMARK 500 O4* U B 916 C ASP W 163 2.01 REMARK 500 O5* G B 1136 CD ARG 6 4 2.01 REMARK 500 C5 G B 1142 CA THR K 104 2.01 REMARK 500 N9 A B 1143 CE LYS K 111 2.01 REMARK 500 O2P G B 1236 CZ ARG S 87 2.01 REMARK 500 O4 U B 1325 CB LYS U 61 2.01 REMARK 500 N2 G B 1398 N7 A B 1416 2.01 REMARK 500 O5* A B 1746 OXT LYS Q 126 2.01 REMARK 500 C1* G B 1805 O ASN D 44 2.01 REMARK 500 N2 G B 1805 CB SER D 51 2.01 REMARK 500 O4* C B 1829 O2* A B 1911 2.01 REMARK 500 N1 A B 3875 CG LYS 7 43 2.01 REMARK 500 O3* A B 1996 O ILE T 116 2.01 REMARK 500 O3* U B 2342 O VAL X 38 2.01 REMARK 500 O3* A B 2448 NH1 ARG N 57 2.01 REMARK 500 C4* G B 2463 CD GLN N 47 2.01 REMARK 500 O4* C B 2725 CB GLN H 143 2.01 REMARK 500 O2* C B 2767 N3 A B 2785 2.01 REMARK 500 O3* G B 2814 CA GLN O 50 2.01 REMARK 500 O3* A B 8 CA ASN K 36 2.02 REMARK 500 O2* A B 137 CG2 THR U 36 2.02 REMARK 500 C5* U B 187 OG SER 4 26 2.02 REMARK 500 C4* G B 506 O ASN T 82 2.02 REMARK 500 N3 G B 658 O1P G B 2330 2.02 REMARK 500 C1* A B 886 OG1 THR W 167 2.02 REMARK 500 C4 A B 886 CG2 THR W 167 2.02 REMARK 500 O4* A B 891 C4 G B 893 2.02 REMARK 500 P A B 918 CA LEU W 120 2.02 REMARK 500 C4* G B 1042 CA VAL 6 7 2.02 REMARK 500 O3* G B 1042 O LYS 6 8 2.02 REMARK 500 P U B 1071 CE MET J 74 2.02 REMARK 500 O2* G B 1479 O2* G B 1543 2.02 REMARK 500 O4 U B 1513 O1P U B 1594 2.02 REMARK 500 O2 C B 1797 CG1 ILE D 49 2.02 REMARK 500 N2 G B 2007 CE1 TYR K 103 2.02 REMARK 500 O1P G B 2344 CA ARG X 41 2.02 REMARK 500 O2 C B 2364 CE1 PHE X 69 2.02 REMARK 500 N9 A B 2448 CD ARG N 57 2.02 REMARK 500 N6 A B 2543 O2* U B 2625 2.02 REMARK 500 O3* U B 2766 CD GLN E 64 2.02 REMARK 500 O2 U B 2859 CG ASP 2 53 2.02 REMARK 500 O2* A A 48 N ALA P 4 2.02 REMARK 500 C3* C A 96 CD LYS W 11 2.02 REMARK 500 OG SER L 87 CA PHE Q 83 2.02 REMARK 500 NE ARG L 119 ND2 ASN Q 43 2.02 REMARK 500 O1P G B 122 O2* C B 1389 2.03 REMARK 500 O1P G B 156 NH2 ARG 4 28 2.03 REMARK 500 O5* G B 227 CZ ARG M 59 2.03 REMARK 500 O4* U B 597 NZ LYS M 28 2.03 REMARK 500 C5* U B 696 CE1 HIS 4 16 2.03 REMARK 500 O4* C B 700 O ARG 4 3 2.03 REMARK 500 O2 U B 910 O4* A B 911 2.03 REMARK 500 P U B 916 CB ALA W 162 2.03 REMARK 500 O3* U B 917 CD1 LEU W 120 2.03 REMARK 500 O5* G B 1042 CD LYS 6 8 2.03 REMARK 500 C2 A B 1166 C8 G B 1168 2.03 REMARK 500 N6 A B 1175 N3 C B 1198 2.03 REMARK 500 C5 U B 1325 CE LYS U 61 2.03 REMARK 500 C6 G B 1402 C4 C B 1412 2.03 REMARK 500 N2 G B 1471 N6 A B 2681 2.03 REMARK 500 C4 G B 1803 CA GLY D 47 2.03 REMARK 500 O2* C B 1829 O2* A B 1910 2.03 REMARK 500 O2P C B 2240 CD ARG X 14 2.03 REMARK 500 O2* C B 2254 CD LYS N 86 2.03 REMARK 500 O2* U B 2615 NH2 ARG E 79 2.03 REMARK 500 N2 G B 2814 N GLY O 92 2.03 REMARK 500 C2 U B 2859 CG ASP 2 53 2.03 REMARK 500 O2 U B 2859 CB ASP 2 53 2.03 REMARK 500 C4 A B 2861 CD LYS 2 40 2.03 REMARK 500 C1* U A 106 CD1 TYR W 88 2.03 REMARK 500 O ALA M 58 CE MET 5 9 2.03 REMARK 500 C GLU N 106 CG2 VAL W 113 2.03 REMARK 500 O2* A B 8 O ASN K 36 2.04 REMARK 500 C3* G B 115 O2P A B 116 2.04 REMARK 500 O1P G B 419 CG GLU 7 197 2.04 REMARK 500 N3 G B 504 OD1 ASN T 78 2.04 REMARK 500 C3* C B 596 CB THR M 29 2.04 REMARK 500 C4* A B 625 NE ARG F 38 2.04 REMARK 500 C4* C B 755 NE2 HIS E 129 2.04 REMARK 500 O1P G B 965 CA MET N 18 2.04 REMARK 500 O5* G B 1000 C5* G B 1168 2.04 REMARK 500 O2P C B 1380 SD MET 1 1 2.04 REMARK 500 C2 A B 1437 C6 G B 1438 2.04 REMARK 500 C4* G B 1684 OE1 GLN L 5 2.04 REMARK 500 C2 A B 3866 CA ASP 7 45 2.04 REMARK 500 O2P C B 2240 CG ARG X 14 2.04 REMARK 500 O4* C B 2334 CE LYS X 32 2.04 REMARK 500 O2P C B 2399 N GLN 5 32 2.04 REMARK 500 C4* G B 2474 CG ARG N 83 2.04 REMARK 500 C8 G B 2578 OE1 GLU D 237 2.04 REMARK 500 N1 A B 2861 CE LYS 2 40 2.04 REMARK 500 N9 G A 77 OD1 ASN W 29 2.04 REMARK 500 O GLY E 194 O GLN Q 2 2.04 REMARK 500 O5* G B 166 CE2 TRP 1 36 2.05 REMARK 500 O3* C B 418 OE2 GLU 7 197 2.05 REMARK 500 O4* G B 506 CA ASN T 82 2.05 REMARK 500 O1P G B 508 CD LYS T 19 2.05 REMARK 500 C5* A B 627 CZ ARG F 100 2.05 REMARK 500 O1P A B 763 O ARG T 109 2.05 REMARK 500 O3* A B 1137 NH2 ARG 6 4 2.05 REMARK 500 O3* U B 1141 C GLN K 107 2.05 REMARK 500 N1 U B 1141 C GLY K 105 2.05 REMARK 500 O1P G B 1142 CA GLN K 107 2.05 REMARK 500 N2 G B 1142 CD1 TYR K 103 2.05 REMARK 500 P A B 1379 CD LYS 1 3 2.05 REMARK 500 O2* A B 1437 O4* G B 1438 2.05 REMARK 500 C4* A B 1746 C LYS Q 126 2.05 REMARK 500 N2 G B 1805 C SER D 51 2.05 REMARK 500 O3* G B 1809 CZ ARG D 157 2.05 REMARK 500 N4 C B 1828 O2 C B 1888 2.05 REMARK 500 C4* C B 1829 C5* A B 1911 2.05 REMARK 500 C1* A B 3876 OD2 ASP 7 40 2.05 REMARK 500 O3* G B 2029 CZ ARG 2 19 2.05 REMARK 500 C4* C B 2254 CD LYS N 86 2.05 REMARK 500 N6 A B 2265 CE LYS 3 38 2.05 REMARK 500 O1P U B 2365 NH2 ARG X 39 2.05 REMARK 500 O1P U B 2398 CA THR 5 34 2.05 REMARK 500 O3* C B 2494 N GLY K 109 2.05 REMARK 500 C6 G B 2578 OE1 GLU D 237 2.05 REMARK 500 C1* C B 2723 CD LYS H 150 2.05 REMARK 500 O2* G B 2724 CB GLN H 143 2.05 REMARK 500 C4* C B 2725 N GLN H 143 2.05 REMARK 500 O2 C B 2725 O GLN H 139 2.05 REMARK 500 O4* U B 2789 CD1 LEU 2 30 2.05 REMARK 500 O2* C B 2790 O SER 2 42 2.05 REMARK 500 O5* C A 97 CD LYS W 11 2.05 REMARK 500 CE1 TYR E 51 CG1 ILE Q 5 2.05 REMARK 500 O GLY E 194 N THR Q 3 2.05 REMARK 500 OD2 ASP L 85 CZ PHE Q 83 2.05 REMARK 500 OG SER L 87 C PRO Q 82 2.05 REMARK 500 N6 A B 5 O4 U B 2872 2.06 REMARK 500 O1P G B 15 NH2 ARG 2 20 2.06 REMARK 500 P G B 165 O CYS 1 12 2.06 REMARK 500 P U B 187 ND2 ASN 4 29 2.06 REMARK 500 O2P C B 574 CA GLN S 79 2.06 REMARK 500 O1P U B 597 N THR M 29 2.06 REMARK 500 C6 G B 761 NE ARG T 111 2.06 REMARK 500 C4* A B 891 C8 G B 893 2.06 REMARK 500 O1P C B 1380 CE MET 1 1 2.06 REMARK 500 N3 A B 1397 N4 C B 1418 2.06 REMARK 500 C5 G B 1402 N3 C B 1412 2.06 REMARK 500 P U B 2057 CB PRO D 228 2.06 REMARK 500 C1* C B 2767 NZ LYS E 61 2.06 REMARK 500 O4 U B 2789 NE2 HIS 2 43 2.06 REMARK 500 N2 G B 2847 NH1 ARG O 17 2.06 REMARK 500 C2 G A 92 N LYS N 23 2.06 REMARK 500 P U A 106 C GLU W 90 2.06 REMARK 500 CG PHE L 91 CG ARG Q 79 2.06 REMARK 500 C6 G B 115 N6 A B 117 2.07 REMARK 500 O4* G B 506 O ASN T 82 2.07 REMARK 500 O6 G B 508 NH1 ARG T 21 2.07 REMARK 500 N1 G B 699 C THR 4 4 2.07 REMARK 500 O1P G B 818 O ARG M 40 2.07 REMARK 500 C2 C B 1002 N2 G B 1174 2.07 REMARK 500 C2* A B 1043 O VAL 6 23 2.07 REMARK 500 P G B 1136 NH1 ARG 6 4 2.07 REMARK 500 C8 G B 1142 OG1 THR K 104 2.07 REMARK 500 O2P G B 1236 NH2 ARG S 87 2.07 REMARK 500 O6 G B 1401 N4 C B 1412 2.07 REMARK 500 O2 U B 1804 N ARG D 46 2.07 REMARK 500 O3* C B 1829 C2* A B 1910 2.07 REMARK 500 C5* G B 3867 CA LYS 7 42 2.07 REMARK 500 C3* U B 3122 CD GLN 7 162 2.07 REMARK 500 O2P G B 2218 CA ASP D 230 2.07 REMARK 500 O1P C B 2237 CA LYS X 11 2.07 REMARK 500 N2 G B 2602 CG HIS 2 22 2.07 REMARK 500 N2 G B 2724 NE2 GLN H 143 2.07 REMARK 500 N2 G B 2760 CG1 VAL K 150 2.07 REMARK 500 O4 U B 2859 N ASP 2 53 2.07 REMARK 500 C GLY E 6 OG1 THR Q 3 2.07 REMARK 500 O6 G B 7 N3 C B 2870 2.08 REMARK 500 N3 G B 505 OD1 ASN T 82 2.08 REMARK 500 C3* A B 512 N GLN T 16 2.08 REMARK 500 O1P C B 574 CA GLN S 79 2.08 REMARK 500 C2* C B 596 OG1 THR M 29 2.08 REMARK 500 C2 C B 596 CG2 THR M 29 2.08 REMARK 500 O2P A B 628 NE ARG F 97 2.08 REMARK 500 O2* C B 652 NH1 ARG 5 42 2.08 REMARK 500 C5 G B 699 CB TYR 4 5 2.08 REMARK 500 C5 G B 699 CG TYR 4 5 2.08 REMARK 500 C5 G B 699 C TYR 4 5 2.08 REMARK 500 O2P A B 706 ND1 HIS D 58 2.08 REMARK 500 O1P G B 742 O THR D 17 2.08 REMARK 500 P U B 916 OD1 ASP W 163 2.08 REMARK 500 O3* U B 917 C LEU W 120 2.08 REMARK 500 N3 G B 934 CD LYS X 25 2.08 REMARK 500 P G B 1042 CE LYS 6 8 2.08 REMARK 500 O1P U B 1071 CE MET J 74 2.08 REMARK 500 O2P G B 1142 CB GLN K 107 2.08 REMARK 500 C5 G B 1142 N THR K 104 2.08 REMARK 500 N2 G B 1142 CD2 TYR K 103 2.08 REMARK 500 N1 G B 1440 O2P A B 1588 2.08 REMARK 500 C4 U B 1513 O1P U B 1594 2.08 REMARK 500 C5 C B 1581 NH2 ARG D 28 2.08 REMARK 500 C5 A B 1796 OG SER D 51 2.08 REMARK 500 O1P G B 1995 O LYS T 118 2.08 REMARK 500 N3 G B 2007 CE1 TYR K 103 2.08 REMARK 500 C5 G B 2229 O GLY N 85 2.08 REMARK 500 O2* C B 2343 CB LYS X 66 2.08 REMARK 500 C2* A B 2448 NE ARG N 57 2.08 REMARK 500 O3* G B 2474 O ARG N 83 2.08 REMARK 500 N3 G B 2504 O2* A B 2721 2.08 REMARK 500 C5* C B 2725 C GLY H 142 2.08 REMARK 500 O2* C B 2725 O GLN H 139 2.08 REMARK 500 C2* U B 2859 CB ASP 2 53 2.08 REMARK 500 C6 U B 2859 CD1 TYR 2 52 2.08 REMARK 500 C4* G A 105 CA PRO W 91 2.08 REMARK 500 O2* U A 106 CG TYR W 88 2.08 REMARK 500 NH1 ARG E 176 CB ILE Q 16 2.08 REMARK 500 N3 C B 4 O6 G B 2873 2.09 REMARK 500 C3* A B 8 CB ASN K 36 2.09 REMARK 500 O3* A B 489 CA SER V 5 2.09 REMARK 500 O4* G B 543 OD1 ASN R 41 2.09 REMARK 500 N2 G B 676 O3* G B 950 2.09 REMARK 500 C8 G B 887 CG2 THR W 167 2.09 REMARK 500 O1P A B 918 CG LEU W 120 2.09 REMARK 500 C4* G B 965 CE MET N 18 2.09 REMARK 500 O1P C B 968 OE1 GLU N 92 2.09 REMARK 500 O2 C B 1003 N2 G B 1173 2.09 REMARK 500 C3* G B 1042 CA LYS 6 8 2.09 REMARK 500 O2* G B 1069 ND2 ASN J 116 2.09 REMARK 500 O1P G B 1508 C GLY D 100 2.09 REMARK 500 C6 C B 1673 NH2 ARG E 136 2.09 REMARK 500 O3* A B 1746 O LYS Q 126 2.09 REMARK 500 C1* U B 1804 CB ARG D 46 2.09 REMARK 500 O4* G B 1806 NH2 ARG D 52 2.09 REMARK 500 P U B 1817 C GLY D 223 2.09 REMARK 500 P U B 2219 O VAL D 229 2.09 REMARK 500 O3* U B 2236 C SER X 10 2.09 REMARK 500 C2* G B 2463 OE1 GLN N 47 2.09 REMARK 500 O3* G B 2474 SD MET N 84 2.09 REMARK 500 C4* G B 2495 O GLY K 108 2.09 REMARK 500 C5* G B 2523 N7 G B 2624 2.09 REMARK 500 N7 G B 2578 CD GLU D 237 2.09 REMARK 500 O6 G B 2578 CB GLU D 237 2.09 REMARK 500 O2 C B 2645 CE2 TYR H 109 2.09 REMARK 500 N3 G B 2724 CD GLN H 143 2.09 REMARK 500 O2* C B 2826 CD2 LEU O 60 2.09 REMARK 500 CA GLY L 86 CB ALA Q 84 2.09 REMARK 500 O LYS N 64 CD1 ILE W 115 2.09 REMARK 500 O2 U B 3 O2 C B 2875 2.10 REMARK 500 O1P G B 15 CZ ARG 2 20 2.10 REMARK 500 N1 A B 48 N7 A B 153 2.10 REMARK 500 O5* G B 424 O2P G B 2386 2.10 REMARK 500 O3* A B 490 NH2 ARG V 3 2.10 REMARK 500 O2P U B 824 C GLY M 33 2.10 REMARK 500 O2P C B 827 CA ARG S 83 2.10 REMARK 500 C6 G B 1041 CA SER 6 5 2.10 REMARK 500 O2* C B 1134 C GLY 6 21 2.10 REMARK 500 C8 G B 1136 O ARG 6 4 2.10 REMARK 500 O3* G B 1142 CE LYS K 111 2.10 REMARK 500 O1P G B 1149 CB ALA K 130 2.10 REMARK 500 C5 U B 1325 CG LYS U 61 2.10 REMARK 500 O2 C B 1786 NZ LYS D 252 2.10 REMARK 500 C5* C B 1795 CZ2 TRP D 250 2.10 REMARK 500 O4* G B 1806 NH1 ARG D 52 2.10 REMARK 500 O4* C B 1829 C3* A B 1911 2.10 REMARK 500 O2* C B 1829 C1* A B 1910 2.10 REMARK 500 C3* A B 3865 CE LYS 7 43 2.10 REMARK 500 C6 A B 3866 CA GLY 7 44 2.10 REMARK 500 O2* C B 1989 N3 A B 2798 2.10 REMARK 500 O1P C B 2399 N ASN 5 33 2.10 REMARK 500 C4* C B 2444 CG2 VAL 6 3 2.10 REMARK 500 C2* G B 2474 CG ARG N 83 2.10 REMARK 500 O2P A B 2577 CA GLY D 236 2.10 REMARK 500 O1P C B 2601 CG HIS E 159 2.10 REMARK 500 O5* G B 2619 CZ ARG K 125 2.10 REMARK 500 N1 U B 2859 N ASP 2 53 2.10 REMARK 500 OD1 ASP E 18 O ALA L 84 2.10 REMARK 500 OD1 ASP L 85 CE1 PHE Q 83 2.10 REMARK 500 CB SER L 87 N PHE Q 83 2.10 REMARK 500 CE1 PHE L 91 CG ARG Q 79 2.10 REMARK 500 O2 C B 4 N6 A B 2874 2.11 REMARK 500 O1P U B 9 CB ASN K 36 2.11 REMARK 500 O1P G B 17 NZ LYS 2 13 2.11 REMARK 500 O1P U B 18 C GLY R 26 2.11 REMARK 500 N2 G B 47 O2P U B 154 2.11 REMARK 500 O3* G B 69 O4* A B 70 2.11 REMARK 500 O3* A B 489 CB SER V 5 2.11 REMARK 500 C2 G B 505 OD1 ASN T 82 2.11 REMARK 500 C4* A B 512 O LYS T 15 2.11 REMARK 500 O6 G B 811 NH1 ARG F 56 2.11 REMARK 500 O1P U B 824 CA GLY M 33 2.11 REMARK 500 O1P C B 869 ND1 HIS X 57 2.11 REMARK 500 O4* C B 869 CB HIS X 57 2.11 REMARK 500 C2 G B 887 C GLU W 165 2.11 REMARK 500 O4* C B 915 CG ASP W 163 2.11 REMARK 500 C2* C B 915 CA ASP W 163 2.11 REMARK 500 O4* G B 1042 CA SER 6 6 2.11 REMARK 500 N3 A B 1081 O LYS J 9 2.11 REMARK 500 O4* G B 1142 CB LEU K 110 2.11 REMARK 500 C4* A B 1416 O4* U B 1485 2.11 REMARK 500 C5* G B 1809 CZ ARG D 63 2.11 REMARK 500 O1P G B 1815 CA ILE D 54 2.11 REMARK 500 C4* C B 1829 O5* A B 1911 2.11 REMARK 500 O3* C B 1885 CA GLY D 241 2.11 REMARK 500 N3 G B 2032 CE MET E 156 2.11 REMARK 500 N1 A B 2265 NZ LYS 3 38 2.11 REMARK 500 N3 G B 2463 NH2 ARG N 120 2.11 REMARK 500 N3 G B 2602 NE2 HIS 2 22 2.11 REMARK 500 O4* A B 2714 C SER E 205 2.11 REMARK 500 O4* C B 2748 CB LYS K 121 2.11 REMARK 500 O4* U B 2856 NH2 ARG O 45 2.11 REMARK 500 C1* U B 2859 OD1 ASP 2 53 2.11 REMARK 500 C2 U B 2859 OD2 ASP 2 53 2.11 REMARK 500 C6 U B 2859 N ASP 2 53 2.11 REMARK 500 C1* G A 92 O ASP N 21 2.11 REMARK 500 C4* C A 107 CA GLY W 89 2.11 REMARK 500 OE1 GLN E 13 OE2 GLU Q 17 2.11 REMARK 500 O ASP L 85 N ALA Q 84 2.11 REMARK 500 OD2 ASP L 92 NH2 ARG Q 79 2.11 REMARK 500 CG GLU L 132 OE2 GLU Q 75 2.11 REMARK 500 C5* G B 7 NE2 GLN K 161 2.12 REMARK 500 N2 G B 67 O4* A B 73 2.12 REMARK 500 O4 U B 331 CD1 ILE F 134 2.12 REMARK 500 O1P G B 419 O GLU 7 197 2.12 REMARK 500 O3* A B 477 NH2 ARG 4 34 2.12 REMARK 500 C5* A B 489 N SER V 5 2.12 REMARK 500 O3* A B 489 O PRO V 4 2.12 REMARK 500 O1P A B 512 CA GLN T 16 2.12 REMARK 500 O5* A B 512 CB GLN T 16 2.12 REMARK 500 C4* A B 512 CB LYS T 15 2.12 REMARK 500 N7 A B 628 NH1 ARG F 97 2.12 REMARK 500 O6 G B 637 NH2 ARG 5 64 2.12 REMARK 500 O2* G B 676 O2* G B 950 2.12 REMARK 500 O1P A B 683 NZ LYS M 45 2.12 REMARK 500 O2* C B 686 NH2 ARG F 68 2.12 REMARK 500 C1* G B 887 O LEU W 166 2.12 REMARK 500 O2* A B 1043 O VAL 6 23 2.12 REMARK 500 O2* G B 1237 C GLY S 85 2.12 REMARK 500 O3* G B 1374 OE2 GLU 1 53 2.12 REMARK 500 O2P A B 1378 ND1 HIS 1 40 2.12 REMARK 500 O3* A B 1379 CE MET 1 1 2.12 REMARK 500 C2 A B 1884 NE ARG D 244 2.12 REMARK 500 N1 C B 2008 CZ TYR K 103 2.12 REMARK 500 C6 A B 2265 CE LYS 3 38 2.12 REMARK 500 C2 A B 2411 O ARG 1 28 2.12 REMARK 500 C4* A B 2448 ND1 HIS N 58 2.12 REMARK 500 O6 G B 2461 CA VAL N 54 2.12 REMARK 500 O6 G B 2578 OE2 GLU D 237 2.12 REMARK 500 C2* U B 2599 O ALA E 157 2.12 REMARK 500 C5* C B 2725 N GLN H 143 2.12 REMARK 500 C4* C B 2790 CB SER 2 42 2.12 REMARK 500 CB GLU N 106 CG2 VAL W 113 2.12 REMARK 500 O2P U B 9 ND2 ASN K 36 2.13 REMARK 500 O2* G B 106 O2 C B 358 2.13 REMARK 500 N7 G B 115 N7 A B 117 2.13 REMARK 500 O4* C B 497 CD1 LEU T 80 2.13 REMARK 500 O5* G B 506 C ASN T 82 2.13 REMARK 500 C2* A B 511 CG GLN T 16 2.13 REMARK 500 C2 A B 511 O LYS T 12 2.13 REMARK 500 O4* A B 512 N GLN T 16 2.13 REMARK 500 O2* G B 528 O ALA T 95 2.13 REMARK 500 C5* U B 529 NH2 ARG T 39 2.13 REMARK 500 C5* C B 533 O2* C B 550 2.13 REMARK 500 C5* U B 597 CD LYS M 28 2.13 REMARK 500 P C B 700 CB LYS 4 2 2.13 REMARK 500 O5* C B 869 ND1 HIS X 57 2.13 REMARK 500 N3 A B 886 OG1 THR W 167 2.13 REMARK 500 N1 G B 887 O GLU W 165 2.13 REMARK 500 N1 A B 891 O2 C B 909 2.13 REMARK 500 C2 A B 891 C2 C B 909 2.13 REMARK 500 C4* G B 1045 NH2 ARG 6 18 2.13 REMARK 500 O1P A B 1379 CG LYS 1 3 2.13 REMARK 500 C5* A B 1416 O4* U B 1485 2.13 REMARK 500 N1 G B 1488 C4 C B 1535 2.13 REMARK 500 C2 U B 1490 O2P C B 1535 2.13 REMARK 500 O1P C B 1581 OG1 THR D 25 2.13 REMARK 500 C2 G B 1805 NE ARG D 52 2.13 REMARK 500 O2* C B 1828 O3* A B 1911 2.13 REMARK 500 C5* C B 1829 O5* A B 1911 2.13 REMARK 500 N7 A B 3866 C LYS 7 43 2.13 REMARK 500 O2P C B 2399 CG GLN 5 32 2.13 REMARK 500 O2* G B 2463 OE1 GLN N 47 2.13 REMARK 500 O1P C B 2475 SD MET N 84 2.13 REMARK 500 C2 C B 2645 CE2 TYR H 109 2.13 REMARK 500 N9 G A 77 CE1 TYR W 24 2.13 REMARK 500 O GLY L 86 N ALA Q 84 2.13 REMARK 500 CE2 TYR W 84 NE ARG W 128 2.13 REMARK 500 C2* G B 164 SG CYS 1 12 2.14 REMARK 500 O2P G B 227 CZ ARG M 59 2.14 REMARK 500 C5* C B 418 CE MET 7 1 2.14 REMARK 500 C2 G B 505 ND2 ASN T 82 2.14 REMARK 500 C6 C B 574 OE1 GLN S 79 2.14 REMARK 500 P U B 680 O PHE M 48 2.14 REMARK 500 C6 G B 761 CD ARG T 111 2.14 REMARK 500 N4 C B 1002 O6 G B 1174 2.14 REMARK 500 C3* G B 1050 NZ LYS W 37 2.14 REMARK 500 O3* C B 1135 CG ARG 6 4 2.14 REMARK 500 O2* U B 1141 N GLN K 107 2.14 REMARK 500 O5* G B 1142 C GLN K 107 2.14 REMARK 500 N1 G B 1401 N3 C B 1412 2.14 REMARK 500 O5* A B 1453 C5 U B 1454 2.14 REMARK 500 O6 G B 2461 CB VAL N 54 2.14 REMARK 500 N9 G B 2464 NH1 ARG N 120 2.14 REMARK 500 C1* U B 2470 O1P G B 2549 2.14 REMARK 500 N2 G B 2602 ND1 HIS 2 22 2.14 REMARK 500 N2 G B 2739 CG GLN H 139 2.14 REMARK 500 N3 A B 2861 NZ LYS 2 40 2.14 REMARK 500 N3 G A 77 CD2 TYR W 24 2.14 REMARK 500 O1P U A 95 CD1 LEU W 14 2.14 REMARK 500 N PHE L 91 CD ARG Q 79 2.14 REMARK 500 CG GLU N 106 O ASP W 114 2.14 REMARK 500 N2 G B 2 N3 C B 2876 2.15 REMARK 500 C6 A B 51 C2 A B 116 2.15 REMARK 500 O4* G B 107 O2* C B 358 2.15 REMARK 500 O1P G B 147 CE1 PHE 1 49 2.15 REMARK 500 C5* G B 156 CZ ARG 4 28 2.15 REMARK 500 C2* G B 338 CD2 HIS V 9 2.15 REMARK 500 O1P G B 419 CD GLU 7 197 2.15 REMARK 500 O5* A B 512 C GLN T 16 2.15 REMARK 500 O2P A B 513 O LYS T 15 2.15 REMARK 500 C8 G B 687 CZ ARG F 68 2.15 REMARK 500 O4 U B 857 O4 U B 943 2.15 REMARK 500 O3* A B 891 C5 G B 893 2.15 REMARK 500 C2* A B 891 C5 G B 893 2.15 REMARK 500 O2* C B 915 N ASP W 163 2.15 REMARK 500 O4* U B 1141 N GLN K 107 2.15 REMARK 500 C5 U B 1325 CD LYS U 61 2.15 REMARK 500 N3 A B 1397 C4 C B 1418 2.15 REMARK 500 C6 A B 1486 O4 U B 1537 2.15 REMARK 500 N1 G B 1488 N3 C B 1535 2.15 REMARK 500 O1P A B 1507 CB ASP D 99 2.15 REMARK 500 C5* G B 1809 NH1 ARG D 157 2.15 REMARK 500 O2* G B 2309 CG ASN X 71 2.15 REMARK 500 O3* A B 2397 OG1 THR 5 34 2.15 REMARK 500 O2* C B 2671 C1* U B 2822 2.15 REMARK 500 C ASN E 17 CD1 LEU Q 87 2.15 REMARK 500 CB THR W 48 O ILE W 130 2.15 REMARK 500 C2 A B 5 N3 U B 2872 2.16 REMARK 500 O6 G B 7 C4 C B 2870 2.16 REMARK 500 C5* A B 8 ND2 ASN K 36 2.16 REMARK 500 C5* A B 489 CA SER V 5 2.16 REMARK 500 C4 G B 505 CG ASN T 82 2.16 REMARK 500 C2* A B 511 CB GLN T 16 2.16 REMARK 500 P A B 513 O LYS T 15 2.16 REMARK 500 O2P C B 596 O THR M 29 2.16 REMARK 500 C4* A B 625 CD ARG F 38 2.16 REMARK 500 O1P G B 678 CE LYS M 38 2.16 REMARK 500 O6 G B 699 CB TYR 4 5 2.16 REMARK 500 C5* G B 965 SD MET N 18 2.16 REMARK 500 O5* C B 968 OE2 GLU N 92 2.16 REMARK 500 C4 C B 1002 N1 G B 1174 2.16 REMARK 500 O2P A B 1043 N LYS 6 9 2.16 REMARK 500 N6 A B 1139 O1P G B 2469 2.16 REMARK 500 O4* C B 1797 CG2 ILE D 49 2.16 REMARK 500 P G B 1815 CB ILE D 54 2.16 REMARK 500 O4* G B 1831 O4* A B 1910 2.16 REMARK 500 C2* A B 3865 CE LYS 7 43 2.16 REMARK 500 P G B 3867 O LYS 7 42 2.16 REMARK 500 O5* C B 2239 NH1 ARG X 14 2.16 REMARK 500 O3* G B 2463 NE2 GLN N 47 2.16 REMARK 500 P C B 2475 SD MET N 84 2.16 REMARK 500 C1* C B 2748 CD LYS K 121 2.16 REMARK 500 O4 U B 2789 CD2 HIS 2 43 2.16 REMARK 500 O4* A B 2795 CD LYS O 5 2.16 REMARK 500 C4 A B 2861 NZ LYS 2 40 2.16 REMARK 500 C2* G A 77 OD1 ASN W 29 2.16 REMARK 500 O2* G A 77 CG ASN W 29 2.16 REMARK 500 NH1 ARG E 19 CB LYS Q 64 2.16 REMARK 500 O THR L 88 CD2 PHE Q 81 2.16 REMARK 500 C ARG L 90 NH1 ARG Q 79 2.16 REMARK 500 O ARG L 90 NH1 ARG Q 79 2.16 REMARK 500 CD GLU M 50 CE MET 5 58 2.16 REMARK 500 CA GLY N 63 CD2 LEU W 112 2.16 REMARK 500 P G B 166 CZ3 TRP 1 36 2.17 REMARK 500 O2P G B 334 NH1 ARG F 162 2.17 REMARK 500 C3* C B 418 CD GLU 7 197 2.17 REMARK 500 N3 C B 429 N1 G B 2386 2.17 REMARK 500 O3* A B 538 O1P U B 566 2.17 REMARK 500 O2* A B 542 CG ASN R 41 2.17 REMARK 500 C4 G B 543 N2 G B 570 2.17 REMARK 500 O1P G B 742 O THR D 18 2.17 REMARK 500 O6 G B 761 NH1 ARG T 111 2.17 REMARK 500 N1 G B 934 CD LYS X 25 2.17 REMARK 500 N7 G B 1136 O ARG 6 4 2.17 REMARK 500 C4 G B 1136 OG SER 6 5 2.17 REMARK 500 C2 U B 1141 CD1 TYR K 106 2.17 REMARK 500 O1P U B 1197 NH1 ARG Z 26 2.17 REMARK 500 O1P A B 1349 NE ARG U 64 2.17 REMARK 500 O1P G B 1381 CG LYS 4 25 2.17 REMARK 500 N1 G B 1398 N6 A B 1416 2.17 REMARK 500 N2 G B 1401 O2 C B 1412 2.17 REMARK 500 N2 G B 1414 N2 G B 1484 2.17 REMARK 500 C2* A B 1437 C8 G B 1438 2.17 REMARK 500 N7 G B 1488 O6 G B 1533 2.17 REMARK 500 C6 G B 1504 O ASP D 99 2.17 REMARK 500 O2* C B 1829 N3 A B 1910 2.17 REMARK 500 N7 A B 3866 CA GLY 7 44 2.17 REMARK 500 C4* G B 3867 CB LYS 7 42 2.17 REMARK 500 O2* C B 2462 CA ALA N 50 2.17 REMARK 500 O2 C B 2462 CG1 VAL N 54 2.17 REMARK 500 O1P G B 2463 ND2 ASN N 46 2.17 REMARK 500 O4* A B 2714 OXT SER E 205 2.17 REMARK 500 O4* C B 2725 N GLN H 143 2.17 REMARK 500 C4* U B 2766 O LYS E 61 2.17 REMARK 500 O2* U B 2766 C LYS E 61 2.17 REMARK 500 O2 U B 2789 C LEU 2 41 2.17 REMARK 500 C2 U B 2859 C ASP 2 53 2.17 REMARK 500 C4 U B 2859 O TYR 2 52 2.17 REMARK 500 C3* G A 105 C PRO W 91 2.17 REMARK 500 CD ARG E 176 OD1 ASP Q 19 2.17 REMARK 500 CG LEU E 195 N GLN Q 2 2.17 REMARK 500 CG TYR W 84 CZ ARG W 128 2.17 REMARK 500 O2* G B 238 O1P G B 620 2.18 REMARK 500 O6 G B 413 CD1 PHE 1 63 2.18 REMARK 500 C5* A B 490 O ARG V 3 2.18 REMARK 500 O3* A B 490 CD ARG V 3 2.18 REMARK 500 O3* A B 512 N LYS T 15 2.18 REMARK 500 C2 U B 544 OH TYR R 45 2.18 REMARK 500 O2 C B 686 NH1 ARG F 68 2.18 REMARK 500 C2 U B 910 O1P A B 911 2.18 REMARK 500 O2 U B 916 CA LEU W 166 2.18 REMARK 500 N1 A B 971 NH1 ARG N 83 2.18 REMARK 500 O2 U B 1010 C2 G B 1168 2.18 REMARK 500 C3* A B 1040 NZ LYS N 125 2.18 REMARK 500 O5* A B 1043 CG2 VAL 6 23 2.18 REMARK 500 P U B 1044 CG1 VAL 6 16 2.18 REMARK 500 C4* G B 1050 CE LYS W 37 2.18 REMARK 500 N7 G B 1142 N TYR K 106 2.18 REMARK 500 C2 G B 1401 N3 U B 1413 2.18 REMARK 500 O1P G B 1508 CA GLY D 100 2.18 REMARK 500 C5* G B 1805 CA ARG D 43 2.18 REMARK 500 O2* C B 1885 CA ALA D 242 2.18 REMARK 500 C4* U B 3122 CD GLN 7 162 2.18 REMARK 500 O1P C B 2343 C ARG X 39 2.18 REMARK 500 O2 C B 2343 CE LYS X 66 2.18 REMARK 500 O1P G B 2463 O ASN N 46 2.18 REMARK 500 O5* G B 2495 C GLY K 108 2.18 REMARK 500 C5* G B 2619 NH2 ARG K 125 2.18 REMARK 500 C2* C B 2725 C GLN H 139 2.18 REMARK 500 C2 C A 44 O THR G 90 2.18 REMARK 500 N2 G A 92 CB LYS N 23 2.18 REMARK 500 C4 G A 92 CA ALA N 22 2.18 REMARK 500 O3* G A 105 CD PRO W 91 2.18 REMARK 500 OD2 ASP E 18 CA ASP L 85 2.18 REMARK 500 O GLY L 86 C PHE Q 83 2.18 REMARK 500 CB GLU L 132 OE1 GLU Q 75 2.18 REMARK 500 N6 A B 6 N4 C B 2870 2.19 REMARK 500 O5* A B 8 ND2 ASN K 36 2.19 REMARK 500 O6 G B 115 C6 A B 117 2.19 REMARK 500 C5* U B 177 CG1 ILE 1 31 2.19 REMARK 500 C4* A B 489 O PRO V 4 2.19 REMARK 500 O1P A B 491 CZ ARG V 3 2.19 REMARK 500 O4* A B 512 C LYS T 15 2.19 REMARK 500 C2* A B 512 C LYS T 15 2.19 REMARK 500 O2 U B 674 O GLY M 22 2.19 REMARK 500 N1 G B 699 N TYR 4 5 2.19 REMARK 500 O4 U B 873 C5 A B 2247 2.19 REMARK 500 C1* A B 891 C4 G B 893 2.19 REMARK 500 C1* C B 915 OD2 ASP W 163 2.19 REMARK 500 C4* U B 1044 CG1 VAL 6 16 2.19 REMARK 500 C5 U B 1044 CA LYS 6 15 2.19 REMARK 500 C4* C B 1091 CB ASN J 125 2.19 REMARK 500 O2* G B 1237 CA HIS S 86 2.19 REMARK 500 C3* C B 1411 O2P C B 1412 2.19 REMARK 500 C2* C B 1797 CG1 ILE D 49 2.19 REMARK 500 C2* G B 1805 NH1 ARG D 52 2.19 REMARK 500 C2 G B 1805 CB SER D 51 2.19 REMARK 500 O5* U B 1817 C GLY D 223 2.19 REMARK 500 O5* U B 1817 N SER D 224 2.19 REMARK 500 C1* C B 1829 C1* A B 1911 2.19 REMARK 500 N1 U B 3122 NE2 GLN 7 162 2.19 REMARK 500 N1 G B 2602 NE2 HIS 2 22 2.19 REMARK 500 O2* G B 2760 CG LYS K 149 2.19 REMARK 500 O2 U B 2789 CA SER 2 42 2.19 REMARK 500 O1P G B 2793 NZ LYS O 42 2.19 REMARK 500 O1P G B 2797 C GLY E 110 2.19 REMARK 500 O1P C B 2815 C GLN O 50 2.19 REMARK 500 N3 A B 2861 CG LYS 2 40 2.19 REMARK 500 C8 A A 59 OG SER G 24 2.19 REMARK 500 O2* G A 105 CG PRO W 91 2.19 REMARK 500 O1P U A 106 CG PRO W 91 2.19 REMARK 500 N ASP E 18 CD1 LEU Q 87 2.19 REMARK 500 CG LEU E 195 CG GLN Q 2 2.19 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 N2 G A 121 NH2 ARG 7 122 6555 0.79 REMARK 500 N2 G A 121 CZ ARG 7 122 6555 1.38 REMARK 500 N2 G A 121 NH1 ARG 7 122 6555 1.85 REMARK 500 C2 G A 121 NH1 ARG 7 122 6555 1.96 REMARK 500 N3 G A 121 NH1 ARG 7 122 6555 2.00 REMARK 500 C2 G A 121 NH2 ARG 7 122 6555 2.12 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PRO D 8 CB PRO D 8 CG 0.072 REMARK 500 ARG D 43 CB ARG D 43 CG 0.045 REMARK 500 PRO D 178 CG PRO D 178 CD 0.045 REMARK 500 ARG D 222 CG ARG D 222 CD -0.054 REMARK 500 PRO D 249 CG PRO D 249 CD 0.067 REMARK 500 PRO E 22 CG PRO E 22 CD 0.059 REMARK 500 PRO E 53 CB PRO E 53 CG 0.086 REMARK 500 PRO E 53 CG PRO E 53 CD 0.051 REMARK 500 LYS E 61 CB LYS E 61 CG -0.046 REMARK 500 MET E 117 SD MET E 117 CE -0.046 REMARK 500 PRO E 147 CB PRO E 147 CG 0.080 REMARK 500 PRO G 139 CG PRO G 139 CD 0.051 REMARK 500 PRO H 36 CB PRO H 36 CG 0.050 REMARK 500 PRO H 36 CG PRO H 36 CD 0.052 REMARK 500 PRO H 126 CG PRO H 126 CD 0.048 REMARK 500 PRO I 31 CB PRO I 31 CG 0.049 REMARK 500 LYS J 9 CD LYS J 9 CE -0.044 REMARK 500 LYS J 9 CE LYS J 9 NZ -0.062 REMARK 500 PRO K 123 CB PRO K 123 CG 0.049 REMARK 500 PRO K 123 CG PRO K 123 CD 0.053 REMARK 500 PRO K 157 CB PRO K 157 CG 0.086 REMARK 500 PRO K 157 CG PRO K 157 CD 0.057 REMARK 500 MET N 18 SD MET N 18 CE -0.047 REMARK 500 ARG N 83 CB ARG N 83 CG -0.045 REMARK 500 ARG N 83 CG ARG N 83 CD -0.070 REMARK 500 LYS N 86 CB LYS N 86 CG -0.051 REMARK 500 TYR R 45 CE2 TYR R 45 CD2 -0.050 REMARK 500 PRO T 61 CG PRO T 61 CD 0.049 REMARK 500 PRO T 67 CB PRO T 67 CG 0.080 REMARK 500 PRO T 67 CG PRO T 67 CD 0.054 REMARK 500 MET U 56 SD MET U 56 CE -0.055 REMARK 500 PRO V 65 CB PRO V 65 CG 0.045 REMARK 500 TYR W 88 C GLY W 89 N -0.196 REMARK 500 PRO W 97 CB PRO W 97 CG -0.046 REMARK 500 PRO W 125 CB PRO W 125 CG 0.048 REMARK 500 PRO W 125 CG PRO W 125 CD 0.051 REMARK 500 PRO W 155 CB PRO W 155 CG 0.052 REMARK 500 PRO W 155 CG PRO W 155 CD 0.051 REMARK 500 LYS X 32 CG LYS X 32 CD -0.046 REMARK 500 VAL Y 56 CA VAL Y 56 CB 0.050 REMARK 500 LYS 1 3 CB LYS 1 3 CG -0.077 REMARK 500 LYS 1 3 CG LYS 1 3 CD -0.067 REMARK 500 LYS 1 3 CD LYS 1 3 CE -0.069 REMARK 500 PHE 3 20 CB PHE 3 20 CG -0.049 REMARK 500 PHE 3 20 CD1 PHE 3 20 CE1 -0.048 REMARK 500 PRO 5 63 CB PRO 5 63 CG 0.050 REMARK 500 PRO 5 63 CG PRO 5 63 CD 0.049 REMARK 500 LYS 7 42 CA LYS 7 42 C 0.135 REMARK 500 LYS 7 43 N LYS 7 43 CA 0.093 REMARK 500 ASP 7 45 N ASP 7 45 CA -0.076 REMARK 500 LEU 7 46 N LEU 7 46 CA 0.092 REMARK 500 LEU 7 46 CB LEU 7 46 CG 0.055 REMARK 500 LYS 7 195 CB LYS 7 195 CG -0.048 REMARK 500 THR 7 198 CA THR 7 198 C 0.132 REMARK 500 ASN 7 199 N ASN 7 199 CA 0.055 REMARK 500 ASN 7 199 CA ASN 7 199 CB 0.077 REMARK 500 ASN 7 199 CA ASN 7 199 C 0.243 REMARK 500 LEU 7 200 N LEU 7 200 CA 0.071 REMARK 500 LEU 7 200 CA LEU 7 200 C 0.065 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR D 6 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 PRO D 8 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 LYS D 27 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG D 46 N - CA - C ANGL. DEV. = 12.5 DEGREES REMARK 500 GLY D 57 N - CA - C ANGL. DEV. = 10.5 DEGREES REMARK 500 LEU D 61 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 ASP D 71 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 VAL D 75 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 GLU D 83 N - CA - C ANGL. DEV. = 9.6 DEGREES REMARK 500 ASP D 85 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 ARG D 91 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 LEU D 95 CA - CB - CG ANGL. DEV. = 9.4 DEGREES REMARK 500 TYR D 104 N - CA - C ANGL. DEV. = 11.6 DEGREES REMARK 500 GLY D 114 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 GLY D 120 N - CA - C ANGL. DEV. = 12.4 DEGREES REMARK 500 GLU D 122 N - CA - C ANGL. DEV. =-11.6 DEGREES REMARK 500 ASN D 129 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 LEU D 133 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ARG D 134 N - CA - C ANGL. DEV. =-11.5 DEGREES REMARK 500 ARG D 157 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 GLY D 167 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 PRO D 178 N - CA - C ANGL. DEV. = 12.0 DEGREES REMARK 500 LEU D 182 N - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 HIS D 186 N - CA - C ANGL. DEV. =-11.3 DEGREES REMARK 500 SER D 187 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP D 214 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 PRO D 219 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 PRO D 219 C - N - CA ANGL. DEV. = 10.1 DEGREES REMARK 500 HIS D 220 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 GLN D 221 N - CA - C ANGL. DEV. =-10.6 DEGREES REMARK 500 ASN D 227 N - CA - C ANGL. DEV. = 12.5 DEGREES REMARK 500 ARG D 261 N - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 LYS D 262 N - CA - C ANGL. DEV. =-17.0 DEGREES REMARK 500 ARG D 263 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 GLY E 3 N - CA - C ANGL. DEV. = 11.1 DEGREES REMARK 500 LEU E 5 N - CA - C ANGL. DEV. = 14.0 DEGREES REMARK 500 ILE E 9 N - CA - C ANGL. DEV. = 10.2 DEGREES REMARK 500 ILE E 21 N - CA - C ANGL. DEV. = 16.3 DEGREES REMARK 500 PRO E 22 N - CA - C ANGL. DEV. = 9.8 DEGREES REMARK 500 PRO E 22 C - N - CA ANGL. DEV. = 11.8 DEGREES REMARK 500 ALA E 39 N - CA - C ANGL. DEV. =-14.3 DEGREES REMARK 500 GLN E 40 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 ASP E 42 N - CA - C ANGL. DEV. = 13.6 DEGREES REMARK 500 GLU E 45 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 GLY E 50 N - CA - C ANGL. DEV. = 14.7 DEGREES REMARK 500 GLY E 65 N - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 ALA E 73 N - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 GLY E 88 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 LYS E 109 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 THR E 146 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 HIS E 159 N - CA - C ANGL. DEV. =-13.6 DEGREES REMARK 500 MET E 160 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 ARG E 199 N - CA - C ANGL. DEV. = 10.9 DEGREES REMARK 500 ALA E 202 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 PRO F 18 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 VAL F 26 N - CA - C ANGL. DEV. =-11.2 DEGREES REMARK 500 VAL F 30 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 SER F 37 N - CA - C ANGL. DEV. =-12.3 DEGREES REMARK 500 GLY F 103 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 VAL F 169 N - CA - C ANGL. DEV. = 10.3 DEGREES REMARK 500 ASP F 184 N - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 ASP F 189 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 LYS G 7 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 TYR G 22 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 LYS G 64 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 LYS G 71 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 ASN G 76 N - CA - C ANGL. DEV. =-15.6 DEGREES REMARK 500 GLY G 86 N - CA - C ANGL. DEV. = 13.4 DEGREES REMARK 500 LEU G 100 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 ILE G 111 N - CA - C ANGL. DEV. = 10.4 DEGREES REMARK 500 TYR G 128 N - CA - C ANGL. DEV. = 9.5 DEGREES REMARK 500 ILE G 132 N - CA - C ANGL. DEV. = 12.6 DEGREES REMARK 500 GLU G 134 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 PHE G 138 N - CA - C ANGL. DEV. = 16.7 DEGREES REMARK 500 ASP G 144 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 GLY G 151 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 MET G 173 N - CA - C ANGL. DEV. =-11.4 DEGREES REMARK 500 VAL H 35 N - CA - C ANGL. DEV. = 11.1 DEGREES REMARK 500 GLY H 66 N - CA - C ANGL. DEV. =-13.7 DEGREES REMARK 500 TYR H 83 N - CA - C ANGL. DEV. =-10.9 DEGREES REMARK 500 THR H 84 N - CA - C ANGL. DEV. = 9.0 DEGREES REMARK 500 GLY H 108 N - CA - C ANGL. DEV. = 10.8 DEGREES REMARK 500 TYR H 109 N - CA - C ANGL. DEV. = 10.2 DEGREES REMARK 500 HIS H 111 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 VAL H 113 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 ILE H 114 N - CA - C ANGL. DEV. = 10.3 DEGREES REMARK 500 GLY H 120 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 THR H 122 N - CA - C ANGL. DEV. = 11.7 DEGREES REMARK 500 VAL H 125 N - CA - C ANGL. DEV. = 12.5 DEGREES REMARK 500 GLY H 161 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 GLY H 177 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 ALA I 25 N - CA - C ANGL. DEV. =-10.7 DEGREES REMARK 500 VAL I 36 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 MET I 43 N - CA - C ANGL. DEV. =-14.2 DEGREES REMARK 500 LYS I 44 N - CA - C ANGL. DEV. =-19.8 DEGREES REMARK 500 LEU I 46 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 GLU I 47 N - CA - C ANGL. DEV. =-14.2 DEGREES REMARK 500 GLN I 49 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 ARG I 51 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 GLY J 28 N - CA - C ANGL. DEV. = -8.9 DEGREES REMARK 500 ALA J 40 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 ASN J 42 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 THR J 45 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 LEU J 77 N - CA - C ANGL. DEV. =-12.8 DEGREES REMARK 500 ALA J 81 N - CA - C ANGL. DEV. =-15.2 DEGREES REMARK 500 SER J 89 N - CA - C ANGL. DEV. =-12.3 DEGREES REMARK 500 ALA J 108 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 ALA J 128 N - CA - C ANGL. DEV. =-11.3 DEGREES REMARK 500 GLY J 129 N - CA - C ANGL. DEV. =-13.9 DEGREES REMARK 500 PRO J 142 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 LYS K 30 N - CA - C ANGL. DEV. = 11.3 DEGREES REMARK 500 ASP K 45 N - CA - C ANGL. DEV. = 10.1 DEGREES REMARK 500 LEU K 57 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 ALA K 59 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 VAL K 80 N - CA - C ANGL. DEV. =-11.5 DEGREES REMARK 500 ALA K 86 N - CA - C ANGL. DEV. =-14.2 DEGREES REMARK 500 ALA K 89 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 GLN K 107 N - CA - C ANGL. DEV. = 9.0 DEGREES REMARK 500 ALA K 118 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 LYS K 121 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 GLU K 124 N - CA - C ANGL. DEV. =-11.7 DEGREES REMARK 500 VAL K 126 N - CA - C ANGL. DEV. =-16.9 DEGREES REMARK 500 HIS K 129 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 LEU K 135 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 GLY K 138 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 GLY K 153 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 HIS K 156 N - CA - C ANGL. DEV. =-18.5 DEGREES REMARK 500 PRO K 157 C - N - CA ANGL. DEV. =-12.7 DEGREES REMARK 500 HIS K 158 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 CYS L 21 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 ASP L 68 N - CA - C ANGL. DEV. = 13.6 DEGREES REMARK 500 ARG L 83 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG L 90 N - CA - C ANGL. DEV. = 10.1 DEGREES REMARK 500 ASP L 92 N - CA - C ANGL. DEV. =-10.7 DEGREES REMARK 500 ARG L 106 N - CA - C ANGL. DEV. =-11.2 DEGREES REMARK 500 ILE L 126 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 LYS M 14 N - CA - C ANGL. DEV. =-14.9 DEGREES REMARK 500 GLY M 36 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 PHE M 49 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 ALA M 58 N - CA - C ANGL. DEV. =-13.5 DEGREES REMARK 500 ARG M 59 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 THR M 87 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ALA M 95 N - CA - C ANGL. DEV. =-10.8 DEGREES REMARK 500 LEU M 98 CA - CB - CG ANGL. DEV. = -9.0 DEGREES REMARK 500 HIS M 121 N - CA - C ANGL. DEV. =-12.9 DEGREES REMARK 500 VAL M 122 N - CA - C ANGL. DEV. = 12.9 DEGREES REMARK 500 ILE M 130 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 GLY M 138 N - CA - C ANGL. DEV. = 9.0 DEGREES REMARK 500 PHE N 10 N - CA - C ANGL. DEV. =-15.5 DEGREES REMARK 500 GLN N 13 N - CA - C ANGL. DEV. = 9.1 DEGREES REMARK 500 ALA N 37 N - CA - C ANGL. DEV. = 11.6 DEGREES REMARK 500 LYS N 44 N - CA - C ANGL. DEV. = 12.3 DEGREES REMARK 500 ILE N 48 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 GLU N 49 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 LYS N 73 N - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 PRO N 74 C - N - CA ANGL. DEV. = 52.5 DEGREES REMARK 500 ALA N 115 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 ALA N 118 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 ARG O 12 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 ASN O 13 N - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 SER O 15 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 LEU O 38 CA - CB - CG ANGL. DEV. = 9.8 DEGREES REMARK 500 VAL O 66 N - CA - C ANGL. DEV. =-13.0 DEGREES REMARK 500 ALA O 67 N - CA - C ANGL. DEV. =-10.9 DEGREES REMARK 500 ILE O 70 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 GLY O 105 N - CA - C ANGL. DEV. =-10.6 DEGREES REMARK 500 LYS P 36 N - CA - C ANGL. DEV. = -9.2 DEGREES REMARK 500 GLY P 48 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 LEU Q 12 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 ILE Q 16 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 HIS Q 20 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 LEU Q 24 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 ASP Q 26 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 ASP Q 31 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 ASN Q 43 N - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 THR Q 45 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 THR Q 67 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 LYS Q 70 N - CA - C ANGL. DEV. =-13.2 DEGREES REMARK 500 ILE Q 71 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 ARG Q 79 N - CA - C ANGL. DEV. = 14.3 DEGREES REMARK 500 ILE Q 93 N - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 VAL Q 99 N - CA - C ANGL. DEV. = 11.3 DEGREES REMARK 500 ARG Q 100 N - CA - C ANGL. DEV. =-19.2 DEGREES REMARK 500 LEU Q 110 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 LYS Q 118 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 GLN R 31 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG R 33 N - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 ARG R 58 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 ILE R 62 N - CA - C ANGL. DEV. =-10.0 DEGREES REMARK 500 GLY R 73 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 ALA R 86 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 VAL R 94 N - CA - C ANGL. DEV. =-13.3 DEGREES REMARK 500 LYS R 107 N - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 LEU R 109 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 VAL R 110 N - CA - C ANGL. DEV. =-11.0 DEGREES REMARK 500 ASP R 111 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 ALA R 112 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 ARG R 117 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 PHE S 2 N - CA - C ANGL. DEV. =-10.4 DEGREES REMARK 500 ILE S 5 N - CA - C ANGL. DEV. = 16.2 DEGREES REMARK 500 GLN S 6 N - CA - C ANGL. DEV. = 17.8 DEGREES REMARK 500 TYR S 12 N - CA - C ANGL. DEV. = 11.9 DEGREES REMARK 500 ARG S 13 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 GLY S 48 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 GLU S 49 N - CA - C ANGL. DEV. = 10.1 DEGREES REMARK 500 THR S 55 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 GLY S 66 N - CA - C ANGL. DEV. =-18.6 DEGREES REMARK 500 LYS S 67 N - CA - C ANGL. DEV. = 12.1 DEGREES REMARK 500 ARG S 82 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 THR S 84 N - CA - C ANGL. DEV. = 12.7 DEGREES REMARK 500 ARG S 87 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 LYS T 12 N - CA - C ANGL. DEV. =-13.0 DEGREES REMARK 500 GLN T 13 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 LYS T 48 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 SER T 49 N - CA - C ANGL. DEV. = 17.5 DEGREES REMARK 500 ASP T 52 N - CA - C ANGL. DEV. =-11.1 DEGREES REMARK 500 ALA T 53 N - CA - C ANGL. DEV. =-10.9 DEGREES REMARK 500 LEU T 56 N - CA - C ANGL. DEV. =-12.0 DEGREES REMARK 500 PRO T 61 N - CA - C ANGL. DEV. = 10.8 DEGREES REMARK 500 SER T 74 N - CA - C ANGL. DEV. =-10.4 DEGREES REMARK 500 LEU T 80 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 ASN T 82 N - CA - C ANGL. DEV. =-10.6 DEGREES REMARK 500 MET T 85 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 PHE T 91 N - CA - C ANGL. DEV. = 11.6 DEGREES REMARK 500 ILE T 107 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 GLU T 130 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 LYS T 131 N - CA - C ANGL. DEV. = 16.2 DEGREES REMARK 500 GLY T 132 N - CA - C ANGL. DEV. = 16.7 DEGREES REMARK 500 ILE U 12 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 LYS U 15 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 ALA U 16 N - CA - C ANGL. DEV. =-17.1 DEGREES REMARK 500 SER U 18 N - CA - C ANGL. DEV. =-13.0 DEGREES REMARK 500 TRP U 28 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 THR U 36 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 GLN U 71 N - CA - C ANGL. DEV. = 10.8 DEGREES REMARK 500 ARG U 72 N - CA - C ANGL. DEV. = 13.6 DEGREES REMARK 500 ILE U 79 N - CA - C ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG U 81 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 SER U 87 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 GLY V 7 N - CA - C ANGL. DEV. =-10.4 DEGREES REMARK 500 ASP V 12 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 LEU V 14 N - CA - C ANGL. DEV. = 11.8 DEGREES REMARK 500 HIS V 15 N - CA - C ANGL. DEV. = 10.5 DEGREES REMARK 500 ILE V 54 N - CA - C ANGL. DEV. =-11.0 DEGREES REMARK 500 ASN V 57 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 ASN V 64 N - CA - C ANGL. DEV. = 9.2 DEGREES REMARK 500 ASP V 85 N - CA - C ANGL. DEV. =-12.9 DEGREES REMARK 500 ARG V 93 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 VAL V 94 N - CA - C ANGL. DEV. =-12.6 DEGREES REMARK 500 ARG V 105 N - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 VAL V 106 N - CA - C ANGL. DEV. = 15.5 DEGREES REMARK 500 PRO W 7 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ASP W 40 N - CA - C ANGL. DEV. = -9.6 DEGREES REMARK 500 GLU W 60 N - CA - C ANGL. DEV. = 8.9 DEGREES REMARK 500 HIS W 80 N - CA - C ANGL. DEV. = 13.7 DEGREES REMARK 500 VAL W 81 N - CA - C ANGL. DEV. = 9.7 DEGREES REMARK 500 TYR W 88 CA - C - N ANGL. DEV. = 42.8 DEGREES REMARK 500 TYR W 88 O - C - N ANGL. DEV. =-61.7 DEGREES REMARK 500 GLY W 89 C - N - CA ANGL. DEV. = 35.8 DEGREES REMARK 500 PRO W 97 N - CA - C ANGL. DEV. = 15.7 DEGREES REMARK 500 PRO W 97 C - N - CA ANGL. DEV. = 24.8 DEGREES REMARK 500 VAL W 123 N - CA - C ANGL. DEV. = 14.2 DEGREES REMARK 500 ALA W 124 N - CA - C ANGL. DEV. = 17.3 DEGREES REMARK 500 PRO W 125 N - CA - C ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG W 128 N - CA - C ANGL. DEV. =-10.1 DEGREES REMARK 500 LYS W 153 N - CA - C ANGL. DEV. =-18.3 DEGREES REMARK 500 LEU W 154 CA - CB - CG ANGL. DEV. = 9.7 DEGREES REMARK 500 LEU W 154 N - CA - C ANGL. DEV. = 9.6 DEGREES REMARK 500 ARG X 14 N - CA - C ANGL. DEV. = 9.9 DEGREES REMARK 500 LYS X 19 N - CA - C ANGL. DEV. = 9.5 DEGREES REMARK 500 TYR X 20 N - CA - C ANGL. DEV. =-11.9 DEGREES REMARK 500 PHE X 45 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 HIS X 57 N - CA - C ANGL. DEV. =-11.7 DEGREES REMARK 500 ALA X 61 N - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 ARG X 77 N - CA - C ANGL. DEV. = 19.7 DEGREES REMARK 500 PHE X 78 N - CA - C ANGL. DEV. = 19.2 DEGREES REMARK 500 PHE X 78 C - N - CA ANGL. DEV. =-10.7 DEGREES REMARK 500 ILE X 79 N - CA - C ANGL. DEV. = 15.0 DEGREES REMARK 500 PHE X 78 CA - C - N ANGL. DEV. =-11.8 DEGREES REMARK 500 ILE X 79 C - N - CA ANGL. DEV. = 14.4 DEGREES REMARK 500 GLU X 82 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 PRO Y 3 C - N - CA ANGL. DEV. = 11.4 DEGREES REMARK 500 LEU Y 25 N - CA - C ANGL. DEV. = -9.1 DEGREES REMARK 500 MET Y 26 N - CA - C ANGL. DEV. =-11.5 DEGREES REMARK 500 GLN Y 39 N - CA - C ANGL. DEV. =-10.2 DEGREES REMARK 500 ARG Y 42 N - CA - C ANGL. DEV. =-12.7 DEGREES REMARK 500 ARG Y 44 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 GLN Y 45 N - CA - C ANGL. DEV. =-13.2 DEGREES REMARK 500 LEU Y 46 N - CA - C ANGL. DEV. =-12.8 DEGREES REMARK 500 ARG Y 48 N - CA - C ANGL. DEV. =-15.1 DEGREES REMARK 500 VAL Y 50 N - CA - C ANGL. DEV. =-15.1 DEGREES REMARK 500 ALA Y 51 N - CA - C ANGL. DEV. =-12.6 DEGREES REMARK 500 ASN Y 54 N - CA - C ANGL. DEV. =-12.3 DEGREES REMARK 500 THR Y 55 N - CA - C ANGL. DEV. =-17.4 DEGREES REMARK 500 ALA Y 58 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 GLY Y 64 N - CA - C ANGL. DEV. =-19.5 DEGREES REMARK 500 GLU Y 65 N - CA - C ANGL. DEV. =-16.5 DEGREES REMARK 500 THR Z 19 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 LYS 1 13 N - CA - C ANGL. DEV. = -9.9 DEGREES REMARK 500 HIS 1 32 N - CA - C ANGL. DEV. = 13.3 DEGREES REMARK 500 VAL 1 35 N - CA - C ANGL. DEV. = 12.4 DEGREES REMARK 500 TRP 1 36 N - CA - C ANGL. DEV. = 15.8 DEGREES REMARK 500 PHE 1 42 N - CA - C ANGL. DEV. = 11.2 DEGREES REMARK 500 LEU 2 25 N - CA - C ANGL. DEV. =-13.7 DEGREES REMARK 500 LYS 2 40 N - CA - C ANGL. DEV. = 14.9 DEGREES REMARK 500 HIS 2 44 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 CYS 2 46 N - CA - C ANGL. DEV. = 14.0 DEGREES REMARK 500 PRO 2 47 CA - N - CD ANGL. DEV. =-10.0 DEGREES REMARK 500 PRO 2 47 C - N - CA ANGL. DEV. = 53.5 DEGREES REMARK 500 GLU 3 13 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 SER 3 14 N - CA - C ANGL. DEV. = 10.3 DEGREES REMARK 500 PHE 3 20 N - CA - C ANGL. DEV. = 10.9 DEGREES REMARK 500 THR 3 24 N - CA - C ANGL. DEV. = 10.7 DEGREES REMARK 500 LYS 3 39 N - CA - C ANGL. DEV. =-11.7 DEGREES REMARK 500 ALA 3 44 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 ALA 4 13 N - CA - C ANGL. DEV. = -9.6 DEGREES REMARK 500 SER 4 45 N - CA - C ANGL. DEV. =-11.8 DEGREES REMARK 500 LYS 5 8 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 ALA 5 10 N - CA - C ANGL. DEV. =-13.4 DEGREES REMARK 500 LYS 5 11 N - CA - C ANGL. DEV. =-15.1 DEGREES REMARK 500 PHE 5 25 N - CA - C ANGL. DEV. = -9.4 DEGREES REMARK 500 GLN 5 32 N - CA - C ANGL. DEV. = 9.4 DEGREES REMARK 500 ARG 5 57 N - CA - C ANGL. DEV. =-10.3 DEGREES REMARK 500 LEU 5 62 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 LYS 6 8 N - CA - C ANGL. DEV. = 10.4 DEGREES REMARK 500 LYS 7 42 N - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 LYS 7 43 CB - CA - C ANGL. DEV. =-10.5 DEGREES REMARK 500 LYS 7 43 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 LYS 7 43 C - N - CA ANGL. DEV. = 18.7 DEGREES REMARK 500 ASP 7 45 N - CA - C ANGL. DEV. = 20.0 DEGREES REMARK 500 ASP 7 45 CA - C - O ANGL. DEV. =-11.5 DEGREES REMARK 500 LEU 7 46 CB - CA - C ANGL. DEV. =-11.2 DEGREES REMARK 500 LEU 7 46 N - CA - C ANGL. DEV. = 14.2 DEGREES REMARK 500 ASP 7 45 CA - C - N ANGL. DEV. = 11.3 DEGREES REMARK 500 THR 7 198 C - N - CA ANGL. DEV. = 9.0 DEGREES REMARK 500 ASN 7 199 CB - CA - C ANGL. DEV. = 10.2 DEGREES REMARK 500 ASN 7 199 C - N - CA ANGL. DEV. = 16.8 DEGREES REMARK 500 ASN 7 199 CA - C - N ANGL. DEV. = 15.7 DEGREES REMARK 500 ASN 7 199 O - C - N ANGL. DEV. =-15.4 DEGREES REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG D 28 139.82 49.66 REMARK 500 LYS D 39 -82.28 49.72 REMARK 500 ASN D 44 -69.00 52.51 REMARK 500 SER D 51 131.05 74.09 REMARK 500 TYR D 62 -37.21 71.79 REMARK 500 ILE D 64 158.59 62.84 REMARK 500 VAL D 79 136.62 66.45 REMARK 500 HIS D 96 -100.50 -163.02 REMARK 500 ILE D 105 166.92 61.73 REMARK 500 VAL D 117 144.77 67.26 REMARK 500 GLN D 154 -116.49 71.71 REMARK 500 VAL D 175 130.75 61.93 REMARK 500 LEU D 257 -128.43 178.38 REMARK 500 ARG D 260 -114.48 57.87 REMARK 500 ARG D 261 162.79 63.09 REMARK 500 ILE E 9 136.87 69.82 REMARK 500 LYS E 16 -83.13 66.21 REMARK 500 CYS E 31 142.08 71.87 REMARK 500 ILE E 33 -47.57 76.88 REMARK 500 ASP E 42 -116.29 54.19 REMARK 500 SER E 140 -102.70 57.87 REMARK 500 ASN E 180 133.35 66.34 REMARK 500 ILE E 182 125.67 75.93 REMARK 500 ALA E 187 -62.90 64.95 REMARK 500 ILE E 188 131.24 64.72 REMARK 500 ASN E 192 -107.71 49.90 REMARK 500 VAL E 196 127.87 70.10 REMARK 500 ALA E 204 121.05 71.22 REMARK 500 GLN F 3 123.34 64.61 REMARK 500 THR F 64 -84.05 52.38 REMARK 500 ALA F 83 125.40 65.31 REMARK 500 PHE F 84 137.45 66.12 REMARK 500 ARG F 89 140.50 72.93 REMARK 500 ASP F 121 -89.15 30.50 REMARK 500 GLN G 3 -76.55 46.25 REMARK 500 ASN G 37 125.10 62.82 REMARK 500 GLU G 45 154.05 65.46 REMARK 500 LEU G 79 128.06 65.19 REMARK 500 LYS G 88 -118.31 97.51 REMARK 500 VAL G 89 133.25 80.50 REMARK 500 ASN G 118 121.67 56.54 REMARK 500 ASN G 120 -106.57 58.20 REMARK 500 ALA G 121 -88.68 67.05 REMARK 500 PHE G 122 -144.31 22.42 REMARK 500 ASP G 123 165.26 82.31 REMARK 500 ILE G 132 154.88 17.63 REMARK 500 LYS H 25 154.85 60.77 REMARK 500 VAL H 43 148.88 69.11 REMARK 500 ILE H 115 166.38 59.83 REMARK 500 PHE H 123 156.17 64.16 REMARK 500 VAL H 125 -49.08 93.55 REMARK 500 LYS H 175 -44.97 72.25 REMARK 500 ALA H 176 -114.04 -171.64 REMARK 500 ILE I 4 164.40 58.46 REMARK 500 SER I 37 139.96 67.21 REMARK 500 VAL J 8 132.73 66.17 REMARK 500 ILE J 34 -73.59 67.43 REMARK 500 PHE J 65 138.03 57.77 REMARK 500 ALA J 82 -146.91 177.22 REMARK 500 HIS K 66 -30.65 73.59 REMARK 500 ASN K 73 -104.94 57.23 REMARK 500 ILE K 127 -80.52 66.90 REMARK 500 LYS K 137 133.88 72.41 REMARK 500 GLN K 140 -93.69 34.52 REMARK 500 LYS K 167 -111.75 58.75 REMARK 500 MET L 3 150.86 60.13 REMARK 500 ALA L 16 161.00 57.64 REMARK 500 LYS L 56 -72.29 58.65 REMARK 500 ASP L 68 -73.93 52.00 REMARK 500 VAL L 69 127.05 57.83 REMARK 500 ILE L 81 142.39 73.45 REMARK 500 ALA L 84 -39.93 68.11 REMARK 500 VAL L 97 147.00 70.59 REMARK 500 MET L 124 -80.84 52.86 REMARK 500 THR M 26 168.86 64.60 REMARK 500 THR M 29 127.76 70.91 REMARK 500 LYS M 35 127.55 63.76 REMARK 500 GLN M 37 123.49 54.30 REMARK 500 ALA M 47 -72.10 68.38 REMARK 500 PHE M 48 -49.45 72.55 REMARK 500 LEU M 60 -51.41 103.71 REMARK 500 ARG M 63 130.73 63.86 REMARK 500 THR M 70 -87.34 34.89 REMARK 500 LEU M 77 -36.85 66.62 REMARK 500 ASN M 103 -78.59 52.55 REMARK 500 GLU M 113 -82.42 60.54 REMARK 500 LYS N 12 -95.92 -176.17 REMARK 500 PHE N 14 147.56 53.42 REMARK 500 ARG N 17 151.18 64.16 REMARK 500 ALA N 22 -102.83 -176.30 REMARK 500 SER N 45 -65.78 70.42 REMARK 500 LYS N 78 154.96 64.72 REMARK 500 TYR N 93 141.09 76.88 REMARK 500 SER N 96 135.68 64.18 REMARK 500 THR N 111 -82.12 59.29 REMARK 500 ALA O 6 -64.05 68.13 REMARK 500 THR O 37 157.59 58.33 REMARK 500 ILE O 113 129.38 66.57 REMARK 500 SER P 34 -41.49 66.03 REMARK 500 ASP P 45 141.40 63.63 REMARK 500 ILE P 84 -46.13 70.21 REMARK 500 LEU P 112 140.20 66.62 REMARK 500 THR Q 21 -100.59 -168.48 REMARK 500 ASN Q 43 -88.79 63.47 REMARK 500 SER Q 60 -101.82 -151.41 REMARK 500 VAL Q 77 -72.73 63.11 REMARK 500 ILE Q 93 -174.94 27.93 REMARK 500 VAL Q 99 122.19 49.72 REMARK 500 ARG Q 108 -39.85 68.53 REMARK 500 ALA Q 115 -97.38 56.05 REMARK 500 VAL Q 124 156.18 50.85 REMARK 500 ARG R 3 156.73 66.59 REMARK 500 MET R 74 151.56 58.72 REMARK 500 TYR R 76 -87.99 64.00 REMARK 500 LEU R 90 -90.23 67.77 REMARK 500 VAL R 94 -43.62 88.08 REMARK 500 THR S 7 133.82 71.45 REMARK 500 ASP S 31 -78.73 34.09 REMARK 500 GLU S 34 131.11 71.53 REMARK 500 ALA S 37 -111.19 -158.19 REMARK 500 GLU S 43 -72.88 71.60 REMARK 500 THR S 55 -113.90 -161.49 REMARK 500 VAL S 56 -95.34 63.88 REMARK 500 TYR S 74 148.84 77.50 REMARK 500 TYR S 80 -97.75 -177.00 REMARK 500 THR S 84 155.77 53.55 REMARK 500 PHE T 25 123.33 63.43 REMARK 500 TYR T 30 -83.79 65.46 REMARK 500 VAL T 31 -56.18 74.42 REMARK 500 SER T 34 133.90 58.50 REMARK 500 LEU T 90 148.67 65.71 REMARK 500 ALA T 110 -111.22 -164.37 REMARK 500 ARG T 120 148.16 61.84 REMARK 500 ALA U 9 159.36 72.77 REMARK 500 THR U 55 129.02 61.31 REMARK 500 ASN U 57 -112.05 -171.50 REMARK 500 ASP U 74 -101.94 50.18 REMARK 500 ARG U 75 159.71 65.92 REMARK 500 ALA U 90 144.93 61.18 REMARK 500 HIS V 15 -40.21 65.44 REMARK 500 LYS V 28 -41.85 72.76 REMARK 500 LEU V 37 162.73 63.79 REMARK 500 ALA V 39 165.13 64.14 REMARK 500 LYS V 90 124.84 69.31 REMARK 500 ALA W 5 167.29 67.87 REMARK 500 GLU W 16 -112.55 58.27 REMARK 500 ALA W 21 141.20 60.59 REMARK 500 VAL W 30 167.17 59.60 REMARK 500 LEU W 34 156.31 83.88 REMARK 500 ARG W 74 -70.90 68.11 REMARK 500 VAL W 116 132.49 66.34 REMARK 500 ALA W 124 -56.15 89.26 REMARK 500 HIS W 146 164.13 61.49 REMARK 500 SER X 9 158.21 67.86 REMARK 500 LYS X 32 -97.35 -173.87 REMARK 500 ALA X 33 134.51 71.13 REMARK 500 LYS X 44 -81.30 65.53 REMARK 500 LYS X 66 127.85 66.05 REMARK 500 VAL X 68 -147.33 29.07 REMARK 500 ALA Y 32 150.03 65.18 REMARK 500 THR 1 44 130.68 76.43 REMARK 500 VAL 1 56 -118.95 52.99 REMARK 500 LYS 2 8 -104.12 50.82 REMARK 500 SER 2 14 -73.91 72.12 REMARK 500 ALA 2 24 -84.36 55.96 REMARK 500 ALA 2 27 120.97 67.98 REMARK 500 CYS 2 33 149.76 63.76 REMARK 500 HIS 2 37 -112.16 48.53 REMARK 500 LYS 2 40 -33.80 74.30 REMARK 500 LYS 3 3 169.96 53.33 REMARK 500 ILE 3 9 151.32 68.55 REMARK 500 LYS 3 34 -79.87 66.84 REMARK 500 TYR 3 40 144.31 66.31 REMARK 500 LYS 3 45 -96.35 55.46 REMARK 500 GLU 3 52 152.39 61.39 REMARK 500 GLN 4 6 149.25 64.17 REMARK 500 PHE 4 18 -84.40 48.41 REMARK 500 HIS 4 40 151.35 58.79 REMARK 500 SER 5 37 149.32 66.50 REMARK 500 VAL 6 3 127.34 68.45 REMARK 500 LYS 6 8 163.23 54.38 REMARK 500 VAL 6 17 124.70 63.02 REMARK 500 ASN 6 29 -101.05 -161.72 REMARK 500 LYS 7 160 -101.59 -168.46 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1VOQ RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME ONE REMARK 900 RELATED ID: 1VOS RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME TWO REMARK 900 RELATED ID: 1VOU RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME TWO REMARK 900 RELATED ID: 1VOV RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME THREE REMARK 900 RELATED ID: 1VOW RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME THREE REMARK 900 RELATED ID: 1VOX RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME FOUR REMARK 900 RELATED ID: 1VOY RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME FOUR REMARK 900 RELATED ID: 1VOZ RELATED DB: PDB REMARK 900 30S SUBUNIT OF 70S RIBOSOME FIVE REMARK 900 RELATED ID: 1VP0 RELATED DB: PDB REMARK 900 50S SUBUNIT OF 70S RIBOSOME FIVE REMARK 999 REMARK 999 SEQUENCE REMARK 999 REMARK 999 THE 50S SUBUNIT IS MODELLED BASED ON 1PNU WHICH ARE DERIVED REMARK 999 MAINLY FROM 1LNR, THE DEINOCOCCUS RADIODURANS 50 SUBUNIT, REMARK 999 WITH MODIFICATIONS TO THE RRNA TO MAKE IT MATCH E. COLI REMARK 999 INSERTIONS AND DELETIONS. THE SEQUENCE OF THIS SUBUNIT REMARK 999 REPRESENT THAT OF PDB ENTRY, 1LNR. AS A RESULT, NO DBREF REMARK 999 WAS PROVIDED. REMARK 999 REMARK 999 SOME RESIDUES ARE NOT AT LINK DISTANCE. REMARK 999 REMARK 999 THE SHORT CONTACTS LISTED AT REMARK 500 NOT BE COMPLETE REMARK 999 SINCE THIS FILE ONLY REPRESENTS ONE TENTH OF THE ENTIRE REMARK 999 CRYSTAL STRUCTURE. SEQRES 1 B 2825 G G U C A A G A U A G U A SEQRES 2 B 2825 A G G G U C C A C G G U G SEQRES 3 B 2825 G A U G C C C U G G C G C SEQRES 4 B 2825 U G G A G C C G A U G A A SEQRES 5 B 2825 G G A C G C G A U U A C C SEQRES 6 B 2825 U G C G A A A A G C C C C SEQRES 7 B 2825 G A C G A G C U G G A G A SEQRES 8 B 2825 U A C G C U U U G A C U C SEQRES 9 B 2825 G G G G A U G U C C G A A SEQRES 10 B 2825 U G G G G A A A C C C A C SEQRES 11 B 2825 C U C G U A A G A G G U A SEQRES 12 B 2825 U C C G C A A G G A U G G SEQRES 13 B 2825 G A A C U C A G G G A A C SEQRES 14 B 2825 U G A A A C A U C U C A G SEQRES 15 B 2825 U A C C U G A A G G A G A SEQRES 16 B 2825 A G A A A G A G A A U U C SEQRES 17 B 2825 G A U U C C G U U A G U A SEQRES 18 B 2825 G C G G C G A G C G A A C SEQRES 19 B 2825 C C G G A U C A G C C C A SEQRES 20 B 2825 A A U U C A A C C C C U C SEQRES 21 B 2825 A A G C C G A A G U G G C SEQRES 22 B 2825 U G G A A A G C U A C A C SEQRES 23 B 2825 C U C A G A A G G U G A G SEQRES 24 B 2825 A G U C C U G U A G G C G SEQRES 25 B 2825 A A C G A G C G G U U G A SEQRES 26 B 2825 C U G U A A G G U C G U U SEQRES 27 B 2825 G U U C G U G A A A C G A SEQRES 28 B 2825 U G A C U G A A U C C G C SEQRES 29 B 2825 G C G G A C C A C C G C G SEQRES 30 B 2825 C A A G G C U A A A U A C SEQRES 31 B 2825 U C C C A G U G A C C G A SEQRES 32 B 2825 U A G C G C A U A G U A C SEQRES 33 B 2825 C G U G A G G G A A A G G SEQRES 34 B 2825 U G A A A A G A A C C C C SEQRES 35 B 2825 G G G A G G G G A G U G A SEQRES 36 B 2825 A A G A G A A C C U G A A SEQRES 37 B 2825 A C C G U G G A C U U A C SEQRES 38 B 2825 A A G C A G U C A U G G C SEQRES 39 B 2825 A C C U U A U G C G U G U SEQRES 40 B 2825 U A U G G C G U G C C U A SEQRES 41 B 2825 U U G A A G C A U G A G C SEQRES 42 B 2825 C G G C G A C U U A G A C SEQRES 43 B 2825 C U G A C G U G C G A G C SEQRES 44 B 2825 U U A A G U U G A A A A A SEQRES 45 B 2825 C G G A G G C G G A G C G SEQRES 46 B 2825 A A A G C G A G U C C G A SEQRES 47 B 2825 A U A G G G C G G C A U U SEQRES 48 B 2825 A G U A C G U C G G G C U SEQRES 49 B 2825 A G A C U C G A A A C C A SEQRES 50 B 2825 G G U G A G C U A A G C A SEQRES 51 B 2825 U G A C C A G G U U G A A SEQRES 52 B 2825 A C C C C C G U G A C A G SEQRES 53 B 2825 G G G G C G G A G G A C C SEQRES 54 B 2825 G A A C C G G U G C C U G SEQRES 55 B 2825 C U G A A A C A G U C U C SEQRES 56 B 2825 G G A U G A G U U G U G U SEQRES 57 B 2825 U U A G G A G U G A A A A SEQRES 58 B 2825 G C U A A C C G A A C C U SEQRES 59 B 2825 G G A G A U A G C U A G U SEQRES 60 B 2825 U C U C C C C G A A A U G SEQRES 61 B 2825 U A U U G A G G U A C A G SEQRES 62 B 2825 C C U C G G A U G U U G A SEQRES 63 B 2825 C C A U G U C C U G U A G SEQRES 64 B 2825 A G C A C U C A C A A G G SEQRES 65 B 2825 C U A A G G G C A C G U A SEQRES 66 B 2825 A U G U G U U C U A A A C SEQRES 67 B 2825 C U U A U G A A A C U C C SEQRES 68 B 2825 G A A G G G G C A C G C G SEQRES 69 B 2825 U U U A G U C C G G G A G SEQRES 70 B 2825 U G A G G C U G C G A G A SEQRES 71 B 2825 G C U A A C U U C C G U A SEQRES 72 B 2825 G C C G A G A G G G A A A SEQRES 73 B 2825 C A A C C C A G A C C A U SEQRES 74 B 2825 C A G C U A A G G U C C C SEQRES 75 B 2825 U A A A U G A U C G C U C SEQRES 76 B 2825 A G U G G U U A A G G A U SEQRES 77 B 2825 G U G U C G U C G C A U A SEQRES 78 B 2825 G A C A G C C A G G A G G SEQRES 79 B 2825 U U G G C U U A G A A G C SEQRES 80 B 2825 A G C C A C C C U U C A A SEQRES 81 B 2825 A G A G U G C G U A A U A SEQRES 82 B 2825 G C U C A C U G G U C G A SEQRES 83 B 2825 G U G A C G A U G C G C C SEQRES 84 B 2825 G A A A A U G A U C G G G SEQRES 85 B 2825 G C U C A A G U G A U C U SEQRES 86 B 2825 A C C G A A G C U A U G G SEQRES 87 B 2825 A U U C A A C U C G C G A SEQRES 88 B 2825 A G C G A G U U G U C U G SEQRES 89 B 2825 G U A G G G G A G C G U U SEQRES 90 B 2825 C A G U C C G C G G A G A SEQRES 91 B 2825 A G C C A U A C C G G A A SEQRES 92 B 2825 G G A G U G G U G G A G C SEQRES 93 B 2825 C G A C U G A A G U G C G SEQRES 94 B 2825 G A U G C C G G C A U G A SEQRES 95 B 2825 G U A A C G A U A A A A G SEQRES 96 B 2825 A A G U G A G A A U C U U SEQRES 97 B 2825 C U U C G C C G U A A G G SEQRES 98 B 2825 A C A A G G G U U C C U G SEQRES 99 B 2825 G G G A A G G G U C G U C SEQRES 10 B 2825 C G C C C A G G G A A A G SEQRES 10 B 2825 U C G G G A C C U A A G G SEQRES 10 B 2825 U G A G G C C G A A C G G SEQRES 10 B 2825 C G C A G C C G A U G G A SEQRES 10 B 2825 C A G C A G G U C A A G A SEQRES 10 B 2825 U U C C U G C A C C G A U SEQRES 10 B 2825 C A U G U G G A G U G A U SEQRES 10 B 2825 G G A G G G A C G C A U U SEQRES 10 B 2825 A C G C U A U C C A A U G SEQRES 10 B 2825 C C A A G C U A U G G C U SEQRES 11 B 2825 A U G C U G G U U G G U A SEQRES 11 B 2825 C G C U C A A G G G C G A SEQRES 11 B 2825 U C G G G U C A G A A A A SEQRES 11 B 2825 U C U A C C G G U C A C A SEQRES 11 B 2825 U G C C U C A G A C G U A SEQRES 11 B 2825 U C G G G A G C U U C C U SEQRES 11 B 2825 C G G A A G C G A A G U U SEQRES 11 B 2825 G G A A A C G C G A C G G SEQRES 11 B 2825 U G C C A A G A A A A G C SEQRES 11 B 2825 U U C U A A A C G U U G A SEQRES 12 B 2825 A A C A U G A U U G C C C SEQRES 12 B 2825 G U A C C G C A A A C C G SEQRES 12 B 2825 A C A C A G G U G U C C G SEQRES 12 B 2825 A G U G U C A A U G C A C SEQRES 12 B 2825 U A A G G C G C G C G A G SEQRES 12 B 2825 A G A A C C C U C G U U A SEQRES 12 B 2825 A G G A A C U U U G C A A SEQRES 12 B 2825 U C U C A C C C C G U A A SEQRES 12 B 2825 C U U C G G A A G A A G G SEQRES 12 B 2825 G G U C C C C A C G C U U SEQRES 13 B 2825 C G C G U G G G G C G C A SEQRES 13 B 2825 G U G A A U A G G C C C A SEQRES 13 B 2825 G G C G A C U G U U U A C SEQRES 13 B 2825 C A A A A U C A C A G C A SEQRES 13 B 2825 C U C U G C C A A C A C G SEQRES 13 B 2825 A A C A G U G G A C G U A SEQRES 13 B 2825 U A G G G U G U G A C G C SEQRES 13 B 2825 C U G C C C G G U G C C G SEQRES 13 B 2825 G A A G G U C A A G U G G SEQRES 13 B 2825 A G C G G U A A G U G C A SEQRES 14 B 2825 A G C A A A G C U G C G A SEQRES 14 B 2825 A A U G A A G C C C C G G SEQRES 14 B 2825 U G A A C G G C G G C C G SEQRES 14 B 2825 U A A C U A U A A C G G U SEQRES 14 B 2825 C C U A A G G U A G C G A SEQRES 14 B 2825 A A U U C C U U G U C G G SEQRES 14 B 2825 G U A A G U U C C G A C C SEQRES 14 B 2825 U G C A C G A A A G G C G SEQRES 14 B 2825 U A A C G A U C U G G G C SEQRES 14 B 2825 G C U G U C U C A A C G A SEQRES 15 B 2825 G G G A C U C G G U G A A SEQRES 15 B 2825 A U U G A A U U G G C U G SEQRES 15 B 2825 U A A A G A U G C G G C C SEQRES 15 B 2825 U A C C C G U A G C A G G SEQRES 15 B 2825 A C G A A A A G A C C C C SEQRES 15 B 2825 G U G G A G C U U U A C U SEQRES 15 B 2825 A U A G U C U G G C A U U SEQRES 15 B 2825 C A A C G U U G A G A C G SEQRES 15 B 2825 U G G U G C G U A G G A U SEQRES 15 B 2825 A G G U G G G A G G C G A SEQRES 16 B 2825 A G A A C C C U G G C U A SEQRES 16 B 2825 C G G C U G G G G G G A G SEQRES 16 B 2825 C C G C C G G U G A A A U SEQRES 16 B 2825 A C C A C C C U C U A C U SEQRES 16 B 2825 U U U U G A C G U U G U A SEQRES 16 B 2825 A C C U G A A A A A U C A SEQRES 16 B 2825 C U U U C G G G G A C C G SEQRES 16 B 2825 U G C U U G G C G G G U A SEQRES 16 B 2825 G U U U G A C U G G G G C SEQRES 16 B 2825 G G U C G C C U C C C A A SEQRES 17 B 2825 A A U G U A A C G G A G G SEQRES 17 B 2825 C G C C C A A A G G U C A SEQRES 17 B 2825 C C U C A A G A C G G U U SEQRES 17 B 2825 G G A A A U C G U C U G U SEQRES 17 B 2825 A G A G C G C A A A G G U SEQRES 17 B 2825 A G A A G G U G G C U U G SEQRES 17 B 2825 A C U G C G A G A C U G A SEQRES 17 B 2825 C A C G U C G A G C A G G SEQRES 17 B 2825 G A G G A A A C U C G G G SEQRES 17 B 2825 C U U A G U G A A C C G G SEQRES 18 B 2825 U G G U A C C G U G U G G SEQRES 18 B 2825 A A G G G C C A U C G A U SEQRES 18 B 2825 C A A C G G A U A A A A G SEQRES 18 B 2825 U U A C C C C G G G G A U SEQRES 18 B 2825 A A C A G G C U G A U C U SEQRES 18 B 2825 C C C C C G A G A G U C C SEQRES 18 B 2825 A U A U C G G C G G G G A SEQRES 18 B 2825 G G U U U G G C A C C U C SEQRES 18 B 2825 G A U G U C G G C U C G U SEQRES 18 B 2825 C G C A U C C U G G G G C SEQRES 19 B 2825 U G A A G A A G G U C C C SEQRES 19 B 2825 A A G G G U U G G G C U G SEQRES 19 B 2825 U U C G C C C A U U A A A SEQRES 19 B 2825 G C G G C A C G C G A G C SEQRES 19 B 2825 U G G G U U C A G A A C G SEQRES 19 B 2825 U C G U G A G A C A G U U SEQRES 19 B 2825 C G G U C U C U A U C C G SEQRES 19 B 2825 C U A C G G G C G C A G G SEQRES 19 B 2825 A G A A U U G A G G G G A SEQRES 19 B 2825 G U U G C U C C U A G U A SEQRES 20 B 2825 C G A G A G G A C C G G A SEQRES 20 B 2825 G U G A A C G G A C C G C SEQRES 20 B 2825 U G G U C U C C C U G C U SEQRES 20 B 2825 G U C G U A C C A A C G G SEQRES 20 B 2825 C A C A U G C A G G G U A SEQRES 20 B 2825 G C U A U G U C C G G A A SEQRES 20 B 2825 C G G A U A A C C G C U G SEQRES 20 B 2825 A A A G C A U C U A A G C SEQRES 20 B 2825 G G G A A G C C A G C C C SEQRES 20 B 2825 C A A G A U G A G U U C U SEQRES 21 B 2825 C C C A C U G U U C A G G SEQRES 21 B 2825 U A A G A C U C C C G G A SEQRES 21 B 2825 A G A C C A C C G G G U U SEQRES 21 B 2825 A A G A G G C C A G G C G SEQRES 21 B 2825 U G C A C G C A U A G C A SEQRES 21 B 2825 A U G U G U U C A G C G G SEQRES 21 B 2825 A C U G G U G C U C A U C SEQRES 21 B 2825 A G U C G A G G U C U U G SEQRES 21 B 2825 A C C A SEQRES 1 A 119 C C C C C G U G C C C A U SEQRES 2 A 119 A G C A C U G U G G A A C SEQRES 3 A 119 C A C C C C A C C C C A U SEQRES 4 A 119 G C C G A A C U G G G U C SEQRES 5 A 119 G U G A A A C A C A G C A SEQRES 6 A 119 G C G C C A A U G A U A C SEQRES 7 A 119 U C G G A C C G C A G G G SEQRES 8 A 119 U C C C G G A A A A G U C SEQRES 9 A 119 G G U C A G C G C G G G G SEQRES 10 A 119 G G SEQRES 1 D 270 LYS LYS TYR ARG PRO TYR THR PRO SER ARG ARG GLN MET SEQRES 2 D 270 THR THR ALA ASP PHE SER GLY LEU THR LYS LYS ARG PRO SEQRES 3 D 270 GLU LYS ALA LEU THR GLU ALA LEU PRO LYS THR GLY GLY SEQRES 4 D 270 ARG ASN ASN ARG GLY ARG ILE THR SER ARG PHE ILE GLY SEQRES 5 D 270 GLY GLY HIS LYS ARG LEU TYR ARG ILE ILE ASP PHE LYS SEQRES 6 D 270 ARG ARG ASP LYS SER GLY VAL ASN ALA LYS VAL ALA ALA SEQRES 7 D 270 ILE GLU TYR ASP PRO ASN ARG SER ALA ARG ILE ALA LEU SEQRES 8 D 270 LEU HIS TYR ALA ASP GLY GLU LYS ARG TYR ILE LEU ALA SEQRES 9 D 270 PRO GLU GLY LEU THR VAL GLY ALA THR VAL ASN ALA GLY SEQRES 10 D 270 PRO GLU ALA GLU PRO LYS LEU GLY ASN ALA LEU PRO LEU SEQRES 11 D 270 ARG PHE VAL PRO VAL GLY ALA VAL VAL HIS ALA LEU GLU SEQRES 12 D 270 LEU VAL PRO GLY LYS GLY ALA GLN LEU ALA ARG SER ALA SEQRES 13 D 270 GLY THR SER VAL GLN VAL GLN GLY LYS GLU SER ASP TYR SEQRES 14 D 270 VAL ILE VAL ARG LEU PRO SER GLY GLU LEU ARG ARG VAL SEQRES 15 D 270 HIS SER GLU CYS TYR ALA THR ILE GLY ALA VAL GLY ASN SEQRES 16 D 270 ALA GLU HIS LYS ASN ILE VAL LEU GLY LYS ALA GLY ARG SEQRES 17 D 270 SER ARG TRP LEU GLY ARG LYS PRO HIS GLN ARG GLY SER SEQRES 18 D 270 ALA MET ASN PRO VAL ASP HIS PRO HIS GLY GLY GLY GLU SEQRES 19 D 270 GLY ARG THR GLY ALA GLY ARG VAL PRO VAL THR PRO TRP SEQRES 20 D 270 GLY LYS PRO THR LYS GLY LEU LYS THR ARG ARG LYS ARG SEQRES 21 D 270 LYS THR SER ASP ARG PHE ILE VAL THR ARG SEQRES 1 E 205 MET LYS GLY ILE LEU GLY THR LYS ILE GLY MET THR GLN SEQRES 2 E 205 ILE TRP LYS ASN ASP ARG ALA ILE PRO VAL THR VAL VAL SEQRES 3 E 205 LEU ALA GLY PRO CYS PRO ILE VAL GLN ARG LYS THR ALA SEQRES 4 E 205 GLN THR ASP GLY TYR GLU ALA VAL GLN ILE GLY TYR ALA SEQRES 5 E 205 PRO LYS ALA GLU ARG LYS VAL ASN LYS PRO MET GLN GLY SEQRES 6 E 205 HIS PHE ALA LYS ALA GLY VAL ALA PRO THR ARG ILE LEU SEQRES 7 E 205 ARG GLU PHE ARG GLY PHE ALA PRO ASP GLY ASP SER VAL SEQRES 8 E 205 ASN VAL ASP ILE PHE ALA GLU GLY GLU LYS ILE ASP ALA SEQRES 9 E 205 THR GLY THR SER LYS GLY LYS GLY THR GLN GLY VAL MET SEQRES 10 E 205 LYS ARG TRP ASN PHE ALA GLY GLY PRO ALA SER HIS GLY SEQRES 11 E 205 SER LYS LYS TRP HIS ARG ARG PRO GLY SER ILE GLY GLN SEQRES 12 E 205 ARG LYS THR PRO GLY ARG VAL TYR LYS GLY LYS ARG MET SEQRES 13 E 205 ALA GLY HIS MET GLY MET GLU ARG VAL THR VAL GLN ASN SEQRES 14 E 205 LEU GLU VAL VAL GLU ILE ARG ALA GLY GLU ASN LEU ILE SEQRES 15 E 205 LEU VAL LYS GLY ALA ILE PRO GLY ALA ASN GLY GLY LEU SEQRES 16 E 205 VAL VAL LEU ARG SER ALA ALA LYS ALA SER SEQRES 1 F 198 PRO ALA GLN ILE ASN VAL ILE GLY GLN ASN GLY GLY ARG SEQRES 2 F 198 THR ILE GLU LEU PRO LEU PRO GLU VAL ASN SER GLY VAL SEQRES 3 F 198 LEU HIS GLU VAL VAL THR TRP GLN LEU ALA SER ARG ARG SEQRES 4 F 198 ARG GLY THR ALA SER THR ARG THR ARG ALA GLN VAL SER SEQRES 5 F 198 LYS THR GLY ARG LYS MET TYR GLY GLN LYS GLY THR GLY SEQRES 6 F 198 ASN ALA ARG HIS GLY ASP ARG SER VAL PRO THR PHE VAL SEQRES 7 F 198 GLY GLY GLY VAL ALA PHE GLY PRO LYS PRO ARG SER TYR SEQRES 8 F 198 ASP TYR THR LEU PRO ARG GLN VAL ARG GLN LEU GLY LEU SEQRES 9 F 198 ALA MET ALA ILE ALA SER ARG GLN GLU GLY GLY LYS LEU SEQRES 10 F 198 VAL ALA VAL ASP GLY PHE ASP ILE ALA ASP ALA LYS THR SEQRES 11 F 198 LYS ASN PHE ILE SER TRP ALA LYS GLN ASN GLY LEU ASP SEQRES 12 F 198 GLY THR GLU LYS VAL LEU LEU VAL THR ASP ASP GLU ASN SEQRES 13 F 198 THR ARG ARG ALA ALA ARG ASN VAL SER TRP VAL SER VAL SEQRES 14 F 198 LEU PRO VAL ALA GLY VAL ASN VAL TYR ASP ILE LEU ARG SEQRES 15 F 198 HIS ASP ARG LEU VAL ILE ASP ALA ALA ALA LEU GLU ILE SEQRES 16 F 198 VAL GLU GLU SEQRES 1 G 178 GLN GLN LEU LYS THR LYS TYR ASN ASP GLN VAL ARG PRO SEQRES 2 G 178 ALA LEU MET GLN GLN PHE GLY TYR SER SER VAL MET ALA SEQRES 3 G 178 VAL PRO ARG ILE GLU LYS ILE VAL VAL ASN GLU GLY LEU SEQRES 4 G 178 GLY SER SER LYS GLU ASP SER LYS ALA ILE ASP LYS ALA SEQRES 5 G 178 ALA LYS GLU LEU ALA LEU ILE THR LEU GLN LYS PRO ILE SEQRES 6 G 178 ILE THR LYS ALA LYS LYS SER ILE SER ASN PHE LYS LEU SEQRES 7 G 178 ARG GLN GLY MET PRO VAL GLY ILE LYS VAL THR LEU ARG SEQRES 8 G 178 GLY GLU ARG MET TYR VAL PHE LEU GLU LYS LEU ILE ASN SEQRES 9 G 178 ILE GLY LEU PRO ARG ILE ARG ASP PHE ARG GLY ILE ASN SEQRES 10 G 178 PRO ASN ALA PHE ASP GLY ARG GLY ASN TYR ASN LEU GLY SEQRES 11 G 178 ILE LYS GLU GLN LEU ILE PHE PRO GLU ILE THR TYR ASP SEQRES 12 G 178 MET VAL ASP LYS THR ARG GLY MET ASP ILE THR ILE VAL SEQRES 13 G 178 THR THR ALA LYS THR ASP GLU GLU ALA ARG ALA LEU LEU SEQRES 14 G 178 GLN SER MET GLY LEU PRO PHE ARG LYS SEQRES 1 H 177 GLY LYS GLN PRO ILE ALA VAL PRO SER GLY VAL THR VAL SEQRES 2 H 177 ASN ALA GLN ASP GLY VAL PHE LYS VAL LYS GLY PRO LYS SEQRES 3 H 177 GLY GLU LEU THR VAL PRO TYR ASN THR GLU LEU THR VAL SEQRES 4 H 177 ARG GLN ASP GLY ASP GLN LEU LEU VAL GLU ARG PRO SER SEQRES 5 H 177 ASP ALA GLN LYS HIS ARG ALA LEU HIS GLY LEU THR ARG SEQRES 6 H 177 THR LEU VAL ALA ASN ALA VAL LYS GLY VAL SER ASP GLY SEQRES 7 H 177 TYR THR ILE ASN LEU GLU LEU ARG GLY VAL GLY PHE ARG SEQRES 8 H 177 ALA LYS LEU THR GLY LYS ALA LEU GLU MET ASN ILE GLY SEQRES 9 H 177 TYR SER HIS PRO VAL ILE ILE GLU PRO PRO ALA GLY VAL SEQRES 10 H 177 THR PHE ALA VAL PRO GLU PRO THR ARG ILE ASP VAL SER SEQRES 11 H 177 GLY ILE ASP LYS GLN LEU VAL GLY GLN VAL ALA ALA ASN SEQRES 12 H 177 VAL ARG LYS VAL ARG LYS PRO ASP ALA TYR HIS GLY LYS SEQRES 13 H 177 GLY VAL ARG PHE VAL GLY GLU GLN ILE ALA LEU LYS ALA SEQRES 14 H 177 GLY LYS ALA GLY ALA THR GLY GLY SEQRES 1 I 52 MET GLN VAL ILE LEU LEU GLU PRO SER ARG LEU GLY LYS SEQRES 2 I 52 THR GLY GLU VAL VAL SER VAL LYS ASP GLY TYR ALA ARG SEQRES 3 I 52 ASN TRP LEU ILE PRO GLN GLY LEU ALA VAL SER ALA THR SEQRES 4 I 52 ARG THR ASN MET LYS THR LEU GLU ALA GLN LEU ARG SER SEQRES 1 J 143 MET LYS LYS VAL ALA GLY ILE VAL LYS LEU GLN LEU PRO SEQRES 2 J 143 ALA GLY LYS ALA THR PRO ALA PRO PRO VAL GLY PRO ALA SEQRES 3 J 143 LEU GLY GLN TYR GLY ALA ASN ILE MET GLU PHE THR LYS SEQRES 4 J 143 ALA PHE ASN ALA GLN THR ALA ASP LYS GLY ASP ALA ILE SEQRES 5 J 143 ILE PRO VAL GLU ILE THR ILE TYR ALA ASP ARG SER PHE SEQRES 6 J 143 THR PHE ILE THR LYS THR PRO PRO MET SER TYR LEU ILE SEQRES 7 J 143 ARG LYS ALA ALA GLY ILE GLY LYS GLY SER SER THR PRO SEQRES 8 J 143 ASN LYS ALA LYS VAL GLY LYS LEU ASN TRP ASP GLN VAL SEQRES 9 J 143 LEU GLU ILE ALA LYS THR LYS MET PRO ASP LEU ASN ALA SEQRES 10 J 143 GLY SER VAL GLU ALA ALA ALA ASN THR VAL ALA GLY THR SEQRES 11 J 143 ALA ARG SER MET GLY VAL THR VAL GLU GLY GLY PRO ASN SEQRES 1 K 143 VAL LYS THR TYR ILE PRO LYS ASN ASP GLU GLN ASN TRP SEQRES 2 K 143 VAL VAL VAL ASP ALA SER GLY VAL PRO LEU GLY ARG LEU SEQRES 3 K 143 ALA THR LEU ILE ALA SER ARG ILE ARG GLY LYS HIS ARG SEQRES 4 K 143 PRO ASP PHE THR PRO ASN MET ILE GLN GLY ASP PHE VAL SEQRES 5 K 143 VAL VAL ILE ASN ALA ALA GLN VAL ALA LEU THR GLY LYS SEQRES 6 K 143 LYS LEU ASP ASP LYS VAL TYR THR ARG TYR THR GLY TYR SEQRES 7 K 143 GLN GLY GLY LEU LYS THR GLU THR ALA ARG GLU ALA LEU SEQRES 8 K 143 SER LYS HIS PRO GLU ARG VAL ILE GLU HIS ALA VAL PHE SEQRES 9 K 143 GLY MET LEU PRO LYS GLY ARG GLN GLY ARG ALA MET HIS SEQRES 10 K 143 THR ARG LEU LYS VAL TYR ALA GLY GLU THR HIS PRO HIS SEQRES 11 K 143 SER ALA GLN LYS PRO GLN VAL LEU LYS THR GLN PRO LEU SEQRES 1 L 132 ILE MET PRO GLN SER ARG LEU ASP VAL ALA ASP ASN SER SEQRES 2 L 132 GLY ALA ARG GLU ILE MET CYS ILE ARG VAL LEU ASN SER SEQRES 3 L 132 GLY ILE GLY GLY LYS GLY LEU THR THR GLY GLY GLY GLY SEQRES 4 L 132 ASN LYS ARG TYR ALA HIS VAL GLY ASP ILE ILE VAL ALA SEQRES 5 L 132 SER VAL LYS ASP ALA ALA PRO ARG GLY ALA VAL LYS ALA SEQRES 6 L 132 GLY ASP VAL VAL LYS ALA VAL VAL VAL ARG THR SER HIS SEQRES 7 L 132 ALA ILE LYS ARG ALA ASP GLY SER THR ILE ARG PHE ASP SEQRES 8 L 132 ARG ASN ALA ALA VAL ILE ILE ASN ASN GLN GLY GLU PRO SEQRES 9 L 132 ARG GLY THR ARG VAL PHE GLY PRO VAL ALA ARG GLU LEU SEQRES 10 L 132 ARG ASP ARG ARG PHE MET LYS ILE VAL SER LEU ALA PRO SEQRES 11 L 132 GLU VAL SEQRES 1 M 141 HIS ASP LEU LYS PRO THR PRO GLY SER ARG LYS ASP ARG SEQRES 2 M 141 LYS ARG VAL GLY ARG GLY PRO GLY GLY THR ASP LYS THR SEQRES 3 M 141 ALA GLY ARG GLY HIS LYS GLY GLN LYS SER ARG SER GLY SEQRES 4 M 141 ALA GLY LYS GLY ALA PHE PHE GLU GLY GLY ARG SER ARG SEQRES 5 M 141 LEU ILE ALA ARG LEU PRO LYS ARG GLY PHE ASN ASN VAL SEQRES 6 M 141 GLY THR THR TYR GLU VAL VAL LYS LEU SER GLN LEU GLN SEQRES 7 M 141 ASP LEU GLU ASP THR THR PHE ASP ARG ASP THR LEU GLU SEQRES 8 M 141 ALA TYR ARG LEU VAL ARG ARG LYS ASN ARG PRO VAL LYS SEQRES 9 M 141 LEU LEU ALA SER GLY GLU ILE SER ARG ALA VAL THR VAL SEQRES 10 M 141 HIS VAL ASP ALA ALA SER ALA ALA ALA ILE LYS ALA VAL SEQRES 11 M 141 GLU ALA ALA GLY GLY ARG VAL VAL LEU PRO GLU SEQRES 1 N 124 THR LYS PHE ARG LYS GLN PHE ARG GLY ARG MET THR GLY SEQRES 2 N 124 ASP ALA LYS GLY GLY ASP TYR VAL ALA PHE GLY ASP TYR SEQRES 3 N 124 GLY LEU ILE ALA MET GLU PRO ALA TRP ILE LYS SER ASN SEQRES 4 N 124 GLN ILE GLU ALA CYS ARG ILE VAL MET SER ARG HIS PHE SEQRES 5 N 124 ARG ARG GLY GLY LYS ILE TYR ILE ARG ILE PHE PRO ASP SEQRES 6 N 124 LYS PRO VAL THR LYS LYS PRO ALA GLU THR ARG MET GLY SEQRES 7 N 124 LYS GLY LYS GLY ALA VAL GLU TYR TRP VAL SER VAL VAL SEQRES 8 N 124 LYS PRO GLY ARG VAL MET PHE GLU VAL ALA GLY VAL THR SEQRES 9 N 124 GLU GLU GLN ALA LYS GLU ALA PHE ARG LEU ALA GLY HIS SEQRES 10 N 124 LYS LEU PRO ILE GLN THR LYS SEQRES 1 O 114 HIS GLY LYS ALA GLY ARG LYS LEU ASN ARG ASN SER SER SEQRES 2 O 114 ALA ARG VAL ALA LEU ALA ARG ALA GLN ALA THR ALA LEU SEQRES 3 O 114 LEU ARG GLU GLY ARG ILE GLN THR THR LEU THR LYS ALA SEQRES 4 O 114 LYS GLU LEU ARG PRO PHE VAL GLU GLN LEU ILE THR THR SEQRES 5 O 114 ALA LYS GLY GLY ASP LEU HIS SER ARG ARG LEU VAL ALA SEQRES 6 O 114 GLN ASP ILE HIS ASP LYS ASP VAL VAL ARG LYS VAL MET SEQRES 7 O 114 ASP GLU VAL ALA PRO LYS TYR ALA GLU ARG PRO GLY GLY SEQRES 8 O 114 TYR THR ARG ILE LEU ARG VAL GLY THR ARG ARG GLY ASP SEQRES 9 O 114 GLY VAL THR MET ALA LEU ILE GLU LEU VAL SEQRES 1 P 111 ALA THR THR ILE ARG ARG LYS LEU ARG THR ARG ARG LYS SEQRES 2 P 111 VAL ARG THR THR THR ALA ALA SER GLY ARG LEU ARG LEU SEQRES 3 P 111 SER VAL TYR ARG SER SER LYS HIS ILE TYR ALA GLN ILE SEQRES 4 P 111 ILE ASP ASP SER ARG GLY GLN THR LEU ALA ALA ALA SER SEQRES 5 P 111 SER ALA ALA LEU LYS SER GLY ASN LYS THR ASP THR ALA SEQRES 6 P 111 ALA ALA VAL GLY LYS ALA LEU ALA ALA ALA ALA ALA GLU SEQRES 7 P 111 LYS GLY ILE LYS GLN VAL VAL PHE ASP ARG GLY SER TYR SEQRES 8 P 111 LYS TYR HIS GLY ARG VAL LYS ALA LEU ALA ASP ALA ALA SEQRES 9 P 111 ARG GLU GLY GLY LEU ASP PHE SEQRES 1 Q 125 GLN THR HIS ILE LYS ILE ASN ARG GLY GLU LEU LEU ARG SEQRES 2 Q 125 GLY ILE GLU GLN ASP HIS THR ARG GLN LEU PRO ASP PHE SEQRES 3 Q 125 ARG PRO GLY ASP THR VAL ARG VAL ASP THR LYS VAL ARG SEQRES 4 Q 125 GLU GLY ASN ARG THR ARG SER GLN ALA PHE GLU GLY VAL SEQRES 5 Q 125 VAL ILE ALA ILE ASN GLY SER GLY SER ARG LYS SER PHE SEQRES 6 Q 125 THR VAL ARG LYS ILE SER PHE GLY GLU GLY VAL GLU ARG SEQRES 7 Q 125 VAL PHE PRO PHE ALA SER PRO LEU VAL ASN GLN VAL THR SEQRES 8 Q 125 ILE VAL GLU ARG GLY LYS VAL ARG ARG ALA LYS LEU TYR SEQRES 9 Q 125 TYR LEU ARG GLU LEU ARG GLY LYS ALA ALA ARG ILE LYS SEQRES 10 Q 125 SER ASP ARG SER ARG VAL MET LYS SEQRES 1 R 117 PRO ARG ALA LYS THR GLY ILE VAL ARG ARG ARG ARG HIS SEQRES 2 R 117 LYS LYS VAL LEU LYS ARG ALA LYS GLY PHE TRP GLY SER SEQRES 3 R 117 ARG SER LYS GLN TYR ARG ASN ALA PHE GLN THR LEU LEU SEQRES 4 R 117 ASN ALA ALA THR TYR GLU TYR ARG ASP ARG ARG ASN LYS SEQRES 5 R 117 LYS ARG ASP PHE ARG ARG LEU TRP ILE GLN ARG ILE ASN SEQRES 6 R 117 ALA GLY ALA ARG LEU HIS GLY MET ASN TYR SER THR PHE SEQRES 7 R 117 ILE ASN GLY LEU LYS ARG ALA ASN ILE ASP LEU ASN ARG SEQRES 8 R 117 LYS VAL LEU ALA ASP ILE ALA ALA ARG GLU PRO GLU ALA SEQRES 9 R 117 PHE LYS ALA LEU VAL ASP ALA SER ARG ASN ALA ARG GLN SEQRES 1 S 100 MET PHE ALA ILE ILE GLN THR GLY GLY LYS GLN TYR ARG SEQRES 2 S 100 VAL SER GLU GLY ASP VAL ILE ARG VAL GLU SER LEU GLN SEQRES 3 S 100 GLY GLU ALA GLY ASP LYS VAL GLU LEU LYS ALA LEU PHE SEQRES 4 S 100 VAL GLY GLY GLU GLN THR VAL PHE GLY GLU ASP ALA GLY SEQRES 5 S 100 LYS TYR THR VAL GLN ALA GLU VAL VAL GLU HIS GLY ARG SEQRES 6 S 100 GLY LYS LYS ILE TYR ILE ARG LYS TYR LYS SER GLY VAL SEQRES 7 S 100 GLN TYR ARG ARG ARG THR GLY HIS ARG GLN ASN PHE THR SEQRES 8 S 100 ALA ILE LYS ILE LEU GLY ILE GLN GLY SEQRES 1 T 130 GLU GLN THR PHE ARG ASN LYS LYS GLN ARG LYS GLN GLN SEQRES 2 T 130 VAL LYS LEU ARG LYS PRO GLY PHE ALA VAL ALA LYS TYR SEQRES 3 T 130 VAL ARG MET SER PRO ARG LYS VAL ARG LEU VAL VAL ASP SEQRES 4 T 130 VAL ILE ARG GLY LYS SER VAL GLN ASP ALA GLU ASP LEU SEQRES 5 T 130 LEU ARG PHE ILE PRO ARG SER ALA SER GLU PRO VAL ALA SEQRES 6 T 130 LYS VAL LEU ASN SER ALA LYS ALA ASN ALA LEU HIS ASN SEQRES 7 T 130 ASP GLU MET LEU GLU ASP ARG LEU PHE VAL LYS GLU ALA SEQRES 8 T 130 TYR VAL ASP ALA GLY PRO THR LEU LYS ARG LEU ILE PRO SEQRES 9 T 130 ARG ALA ARG GLY SER ALA ASN ILE ILE LYS LYS ARG THR SEQRES 10 T 130 SER HIS ILE THR ILE ILE VAL ALA GLU LYS GLY ASN LYS SEQRES 1 U 93 SER HIS TYR ASP ILE LEU GLN ALA PRO VAL ILE SER GLU SEQRES 2 U 93 LYS ALA TYR SER ALA MET GLU ARG GLY VAL TYR SER PHE SEQRES 3 U 93 TRP VAL SER PRO LYS ALA THR LYS THR GLU ILE LYS ASP SEQRES 4 U 93 ALA ILE GLN GLN ALA PHE GLY VAL ARG VAL ILE GLY ILE SEQRES 5 U 93 SER THR MET ASN VAL PRO GLY LYS ARG LYS ARG VAL GLY SEQRES 6 U 93 ARG PHE ILE GLY GLN ARG ASN ASP ARG LYS LYS ALA ILE SEQRES 7 U 93 VAL ARG LEU ALA GLU GLY GLN SER ILE GLU ALA LEU ALA SEQRES 8 U 93 GLY GLN SEQRES 1 V 113 PRO ARG PRO SER ALA GLY SER HIS HIS ASN ASP LYS LEU SEQRES 2 V 113 HIS PHE LYS LYS GLY ASP THR VAL ILE VAL LEU SER GLY SEQRES 3 V 113 LYS HIS LYS GLY GLN THR GLY LYS VAL LEU LEU ALA LEU SEQRES 4 V 113 PRO ARG ASP GLN LYS VAL VAL VAL GLU GLY VAL ASN VAL SEQRES 5 V 113 ILE THR LYS ASN VAL LYS PRO SER MET THR ASN PRO GLN SEQRES 6 V 113 GLY GLY GLN GLU GLN ARG GLU LEU ALA LEU HIS ALA SER SEQRES 7 V 113 LYS VAL ALA LEU VAL ASP PRO GLU THR GLY LYS ALA THR SEQRES 8 V 113 ARG VAL ARG LYS GLN ILE VAL ASP GLY LYS LYS VAL ARG SEQRES 9 V 113 VAL ALA VAL ALA SER GLY LYS THR ILE SEQRES 1 W 173 MET GLU LEU THR ALA LYS PRO ARG THR PRO LYS GLN LYS SEQRES 2 W 173 LEU ASP GLU SER MET ILE ALA ALA VAL ALA TYR ASN LYS SEQRES 3 W 173 GLU ASN ASN VAL SER PHE ALA LEU ASP ARG LYS ALA PHE SEQRES 4 W 173 ASP ARG ALA PHE ARG GLN GLN SER THR THR GLY LEU PHE SEQRES 5 W 173 ASP ILE THR VAL GLU GLY GLY GLU THR PHE PRO ALA LEU SEQRES 6 W 173 VAL LYS ALA VAL GLN MET ASP LYS ARG LYS ARG ALA PRO SEQRES 7 W 173 ILE HIS VAL ASP PHE TYR MET VAL THR TYR GLY GLU PRO SEQRES 8 W 173 VAL GLU VAL SER VAL PRO VAL HIS THR THR GLY ARG SER SEQRES 9 W 173 GLN GLY GLU VAL GLN GLY GLY LEU VAL ASP ILE VAL VAL SEQRES 10 W 173 HIS ASN LEU GLN ILE VAL ALA PRO GLY PRO ARG ARG ILE SEQRES 11 W 173 PRO GLN GLU LEU VAL VAL ASP VAL THR LYS MET ASN ILE SEQRES 12 W 173 GLY ASP HIS ILE THR ALA GLY ASP ILE LYS LEU PRO GLU SEQRES 13 W 173 GLY CYS THR LEU ALA ALA ASP PRO GLU LEU THR VAL VAL SEQRES 14 W 173 SER VAL LEU PRO SEQRES 1 X 86 ALA HIS LYS LYS GLY VAL GLY SER SER LYS ASN GLY ARG SEQRES 2 X 86 ASP SER ASN PRO LYS TYR LEU GLY VAL LYS LYS PHE GLY SEQRES 3 X 86 GLY GLU VAL VAL LYS ALA GLY ASN ILE LEU VAL ARG GLN SEQRES 4 X 86 ARG GLY THR LYS PHE LYS ALA GLY GLN GLY VAL GLY MET SEQRES 5 X 86 GLY ARG ASP HIS THR LEU PHE ALA LEU SER ASP GLY LYS SEQRES 6 X 86 VAL VAL PHE ILE ASN LYS GLY LYS GLY ALA ARG PHE ILE SEQRES 7 X 86 SER ILE GLU ALA ALA GLN THR GLU SEQRES 1 Y 65 LYS PRO SER GLU MET ARG ASN LEU GLN ALA THR ASP PHE SEQRES 2 Y 65 ALA LYS GLU ILE ASP ALA ARG LYS LYS GLU LEU MET GLU SEQRES 3 Y 65 LEU ARG PHE GLN ALA ALA ALA GLY GLN LEU ALA GLN PRO SEQRES 4 Y 65 HIS ARG VAL ARG GLN LEU ARG ARG GLU VAL ALA GLN LEU SEQRES 5 Y 65 ASN THR VAL LYS ALA GLU LEU ALA ARG LYS GLY GLU GLN SEQRES 1 Z 55 MET LYS ILE LYS LEU VAL ARG SER VAL ILE GLY ARG PRO SEQRES 2 Z 55 GLY ASN GLN VAL LYS THR VAL GLN ALA LEU GLY LEU ARG SEQRES 3 Z 55 LYS ILE GLY ASP SER ARG GLU VAL SER ASP THR PRO ALA SEQRES 4 Z 55 VAL ARG GLY MET VAL LYS THR VAL LYS HIS LEU LEU GLU SEQRES 5 Z 55 VAL GLN GLU SEQRES 1 1 73 MET GLN LYS ASP LEU HIS PRO LYS ALA VAL PRO CYS LYS SEQRES 2 1 73 ILE ILE TYR GLN GLY GLN VAL VAL MET GLU THR MET SER SEQRES 3 1 73 THR ARG PRO GLU ILE HIS VAL ASP VAL TRP SER GLY VAL SEQRES 4 1 73 HIS PRO PHE TRP THR GLY GLU GLU ARG PHE LEU ASP THR SEQRES 5 1 73 GLU GLY ARG VAL ASP LYS PHE ASN LYS ARG PHE GLY ASP SEQRES 6 1 73 SER TYR ARG ARG GLY SER LYS LYS SEQRES 1 2 58 ALA LYS HIS PRO VAL PRO LYS LYS LYS THR SER LYS SER SEQRES 2 2 58 LYS ARG ASP MET ARG ARG SER HIS HIS ALA LEU THR ALA SEQRES 3 2 58 PRO ASN LEU THR GLU CYS PRO GLN CYS HIS GLY LYS LYS SEQRES 4 2 58 LEU SER HIS HIS ILE CYS PRO ASN CYS GLY TYR TYR ASP SEQRES 5 2 58 GLY ARG GLN VAL LEU ALA SEQRES 1 3 53 ALA LYS ASP GLY PRO ARG ILE ILE VAL LYS MET GLU SER SEQRES 2 3 53 SER ALA GLY THR GLY PHE TYR TYR THR THR THR LYS ASN SEQRES 3 3 53 ARG ARG ASN THR GLN ALA LYS LEU GLU LEU LYS LYS TYR SEQRES 4 3 53 ASP PRO VAL ALA LYS LYS HIS VAL VAL PHE ARG GLU LYS SEQRES 5 3 53 LYS SEQRES 1 4 46 MET LYS ARG THR TYR GLN PRO ASN ASN ARG LYS ARG ALA SEQRES 2 4 46 LYS THR HIS GLY PHE ARG ALA ARG MET LYS THR LYS SER SEQRES 3 4 46 GLY ARG ASN ILE LEU ALA ARG ARG ARG ALA LYS GLY ARG SEQRES 4 4 46 HIS GLN LEU THR VAL SER ASP SEQRES 1 5 63 PRO LYS MET LYS THR HIS LYS MET ALA LYS ARG ARG ILE SEQRES 2 5 63 LYS ILE THR GLY THR GLY LYS VAL MET ALA PHE LYS SER SEQRES 3 5 63 GLY LYS ARG HIS GLN ASN THR GLY LYS SER GLY ASP GLU SEQRES 4 5 63 ILE ARG GLY LYS GLY LYS GLY PHE VAL LEU ALA LYS ALA SEQRES 5 5 63 GLU TRP ALA ARG MET LYS LEU MET LEU PRO ARG SEQRES 1 6 35 LYS VAL ARG SER SER VAL LYS LYS MET CYS ASP ASN CYS SEQRES 2 6 35 LYS VAL VAL ARG ARG HIS GLY ARG VAL LEU VAL ILE CYS SEQRES 3 6 35 SER ASN VAL LYS HIS LYS GLN ARG GLN SEQRES 1 7 217 MET LEU ALA ASP LYS GLU SER LEU ILE GLU ALA LEU LYS SEQRES 2 7 217 LEU ALA LEU SER THR GLU TYR ASN VAL LYS ARG ASN PHE SEQRES 3 7 217 THR GLN SER VAL GLU ILE ILE LEU THR PHE LYS GLY ILE SEQRES 4 7 217 ASP MSE LYS LYS GLY ASP LEU LYS LEU ARG GLU ILE VAL SEQRES 5 7 217 PRO LEU PRO LYS GLN PRO SER LYS ALA LYS ARG VAL LEU SEQRES 6 7 217 VAL VAL PRO SER SER GLU GLN LEU GLU TYR ALA LYS LYS SEQRES 7 7 217 ALA SER PRO LYS VAL VAL ILE THR ARG GLU GLU LEU GLN SEQRES 8 7 217 LYS LEU GLN GLY GLN LYS ARG PRO VAL LYS LYS LEU ALA SEQRES 9 7 217 ARG GLN ASN GLU TRP PHE LEU ILE ASN GLN GLU SER MSE SEQRES 10 7 217 ALA LEU ALA GLY ARG ILE LEU GLY PRO ALA LEU GLY PRO SEQRES 11 7 217 ARG GLY LYS PHE PRO THR PRO LEU PRO ASN THR ALA ASP SEQRES 12 7 217 ILE SER GLU TYR ILE ASN ARG PHE LYS ARG SER VAL LEU SEQRES 13 7 217 VAL LYS THR LYS ASP GLN PRO GLN VAL GLN VAL PHE ILE SEQRES 14 7 217 GLY THR GLU ASP MSE LYS PRO GLU ASP LEU ALA GLU ASN SEQRES 15 7 217 ALA ILE ALA VAL LEU ASN ALA ILE GLU ASN LYS ALA LYS SEQRES 16 7 217 VAL GLU THR ASN LEU ARG ASN ILE TYR VAL LYS THR THR SEQRES 17 7 217 MSE GLY LYS ALA VAL LYS VAL LYS ARG MODRES 1VOR MSE 7 41 MET SELENOMETHIONINE MODRES 1VOR MSE 7 117 MET SELENOMETHIONINE MODRES 1VOR MSE 7 174 MET SELENOMETHIONINE MODRES 1VOR MSE 7 209 MET SELENOMETHIONINE HET MSE 7 41 8 HET MSE 7 117 8 HET MSE 7 174 8 HET MSE 7 209 8 HETNAM MSE SELENOMETHIONINE FORMUL 32 MSE 4(C5 H11 N1 O2 SE1) HELIX 1 1 LYS E 61 GLY E 65 5 5 HELIX 2 2 GLY E 115 ASN E 121 1 7 HELIX 3 3 LEU F 102 ALA F 107 1 6 HELIX 4 4 ILE F 108 ALA F 109 5 2 HELIX 5 5 SER F 110 GLY F 114 5 5 HELIX 6 6 ASN F 176 ILE F 180 5 5 HELIX 7 7 LYS G 5 ASP G 10 1 6 HELIX 8 8 ARG G 13 GLY G 21 1 9 HELIX 9 9 ALA G 49 LEU G 59 5 11 HELIX 10 10 THR G 162 ARG G 167 1 6 HELIX 11 11 ALA G 168 MET G 173 1 6 HELIX 12 12 VAL H 72 LYS H 77 1 6 HELIX 13 13 THR J 71 TYR J 76 5 6 HELIX 14 14 ALA J 131 GLY J 135 5 5 HELIX 15 15 ALA K 115 LEU K 119 5 5 HELIX 16 16 GLN N 47 CYS N 51 5 5 HELIX 17 17 ARG N 52 SER N 56 5 5 HELIX 18 18 GLU N 112 LYS N 116 5 5 HELIX 19 19 LYS O 40 LEU O 44 5 5 HELIX 20 20 ALA O 84 ALA O 88 5 5 HELIX 21 21 THR P 67 LEU P 75 1 9 HELIX 22 22 VAL P 100 ASP P 105 1 6 HELIX 23 23 ARG R 11 LEU R 18 1 8 HELIX 24 24 LYS R 19 ALA R 21 5 3 HELIX 25 25 ARG R 51 ASP R 56 5 6 HELIX 26 26 GLN R 63 GLY R 68 1 6 HELIX 27 27 ASN R 75 THR R 78 5 4 HELIX 28 28 PHE R 79 LYS R 84 1 6 HELIX 29 29 MET T 33 VAL T 38 1 6 HELIX 30 30 ARG T 39 VAL T 42 5 4 HELIX 31 31 ASN T 73 ALA T 79 1 7 HELIX 32 32 LYS U 39 GLN U 43 5 5 HELIX 33 33 GLY V 7 ASN V 11 5 5 HELIX 34 34 ASP V 100 VAL V 104 5 5 HELIX 35 35 PRO W 10 LEU W 14 5 5 HELIX 36 36 SER Y 4 ASN Y 8 5 5 HELIX 37 37 ASP Y 13 ALA Y 20 5 8 HELIX 38 38 PRO Z 13 LYS Z 18 1 6 HELIX 39 39 THR 4 24 ALA 4 32 1 9 HELIX 40 40 ASP 5 39 GLY 5 43 5 5 HELIX 41 41 LEU 7 73 LYS 7 77 5 5 HELIX 42 42 LYS 7 97 LYS 7 101 5 5 HELIX 43 43 ALA 7 120 GLY 7 125 1 6 HELIX 44 44 SER 7 145 ARG 7 153 1 9 HELIX 45 45 LYS 7 175 LEU 7 179 5 5 HELIX 46 46 ASN 7 182 VAL 7 186 5 5 SHEET 1 A 2 VAL D 173 ILE D 174 0 SHEET 2 A 2 VAL D 185 HIS D 186 -1 O VAL D 185 N ILE D 174 SHEET 1 B 2 VAL E 23 THR E 24 0 SHEET 2 B 2 LEU E 183 VAL E 184 -1 O VAL E 184 N VAL E 23 SHEET 1 C 2 ASP E 103 ALA E 104 0 SHEET 2 C 2 GLN E 168 ASN E 169 -1 N GLN E 168 O ALA E 104 CISPEP 1 ARG D 7 PRO D 8 0 0.73 CISPEP 2 LYS Y 2 PRO Y 3 0 -0.09 CRYST1 687.900 687.900 1933.300 90.00 90.00 90.00 I 4 2 2 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.001454 0.000000 0.000000 0.00000 SCALE2 0.000000 0.001454 0.000000 0.00000 SCALE3 0.000000 0.000000 0.000517 0.00000 ATOM 60637 P C A 4 -851.107 -43.679 -23.954 1.00846.05 P ATOM 60638 O1P C A 4 -852.324 -43.793 -23.051 1.00846.05 O ATOM 60639 O2P C A 4 -851.460 -43.293 -25.381 1.00846.05 O ATOM 60640 O5* C A 4 -850.452 -45.166 -24.031 1.00846.05 O ATOM 60641 C5* C A 4 -851.285 -46.338 -24.124 1.00846.05 C ATOM 60642 C4* C A 4 -850.474 -47.589 -23.871 1.00846.05 C ATOM 60643 O4* C A 4 -850.825 -48.604 -24.849 1.00846.05 O ATOM 60644 C3* C A 4 -848.951 -47.479 -23.929 1.00846.05 C ATOM 60645 O3* C A 4 -848.398 -47.049 -22.686 1.00846.05 O ATOM 60646 C2* C A 4 -848.530 -48.912 -24.256 1.00846.05 C ATOM 60647 O2* C A 4 -848.419 -49.721 -23.103 1.00846.05 O ATOM 60648 C1* C A 4 -849.696 -49.408 -25.117 1.00846.05 C ATOM 60649 N1 C A 4 -849.450 -49.409 -26.570 1.00846.05 N ATOM 60650 C2 C A 4 -848.714 -50.464 -27.123 1.00846.05 C ATOM 60651 O2 C A 4 -848.279 -51.350 -26.371 1.00846.05 O ATOM 60652 N3 C A 4 -848.497 -50.492 -28.458 1.00846.05 N ATOM 60653 C4 C A 4 -848.979 -49.517 -29.231 1.00846.05 C ATOM 60654 N4 C A 4 -848.743 -49.588 -30.544 1.00846.05 N ATOM 60655 C5 C A 4 -849.724 -48.427 -28.692 1.00846.05 C ATOM 60656 C6 C A 4 -849.933 -48.414 -27.369 1.00846.05 C ATOM 60657 P C A 5 -846.838 -46.679 -22.587 1.00846.05 P ATOM 60658 O1P C A 5 -846.218 -47.646 -21.642 1.00846.05 O ATOM 60659 O2P C A 5 -846.719 -45.221 -22.330 1.00846.05 O ATOM 60660 O5* C A 5 -846.265 -46.976 -24.044 1.00846.05 O ATOM 60661 C5* C A 5 -845.267 -47.979 -24.259 1.00846.05 C ATOM 60662 C4* C A 5 -843.996 -47.345 -24.775 1.00846.05 C ATOM 60663 O4* C A 5 -844.331 -46.533 -25.925 1.00846.05 O ATOM 60664 C3* C A 5 -843.352 -46.380 -23.788 1.00846.05 C ATOM 60665 O3* C A 5 -842.438 -47.042 -22.918 1.00846.05 O ATOM 60666 C2* C A 5 -842.638 -45.388 -24.702 1.00846.05 C ATOM 60667 O2* C A 5 -841.367 -45.848 -25.118 1.00846.05 O ATOM 60668 C1* C A 5 -843.574 -45.338 -25.912 1.00846.05 C ATOM 60669 N1 C A 5 -844.520 -44.212 -25.904 1.00846.05 N ATOM 60670 C2 C A 5 -844.392 -43.202 -26.862 1.00846.05 C ATOM 60671 O2 C A 5 -843.470 -43.271 -27.685 1.00846.05 O ATOM 60672 N3 C A 5 -845.280 -42.180 -26.867 1.00846.05 N ATOM 60673 C4 C A 5 -846.259 -42.141 -25.960 1.00846.05 C ATOM 60674 N4 C A 5 -847.114 -41.119 -26.003 1.00846.05 N ATOM 60675 C5 C A 5 -846.407 -43.152 -24.967 1.00846.05 C ATOM 60676 C6 C A 5 -845.521 -44.154 -24.976 1.00846.05 C ATOM 60677 P C A 6 -842.695 -47.046 -21.332 1.00846.05 P ATOM 60678 O1P C A 6 -842.789 -48.469 -20.912 1.00846.05 O ATOM 60679 O2P C A 6 -843.814 -46.118 -21.030 1.00846.05 O ATOM 60680 O5* C A 6 -841.353 -46.444 -20.714 1.00846.05 O ATOM 60681 C5* C A 6 -840.083 -46.919 -21.147 1.00846.05 C ATOM 60682 C4* C A 6 -839.209 -45.776 -21.610 1.00846.05 C ATOM 60683 O4* C A 6 -839.762 -45.198 -22.819 1.00846.05 O ATOM 60684 C3* C A 6 -839.098 -44.627 -20.624 1.00846.05 C ATOM 60685 O3* C A 6 -838.027 -44.857 -19.716 1.00846.05 O ATOM 60686 C2* C A 6 -838.777 -43.445 -21.534 1.00846.05 C ATOM 60687 O2* C A 6 -837.396 -43.337 -21.821 1.00846.05 O ATOM 60688 C1* C A 6 -839.520 -43.806 -22.822 1.00846.05 C ATOM 60689 N1 C A 6 -840.786 -43.083 -23.031 1.00846.05 N ATOM 60690 C2 C A 6 -840.955 -42.384 -24.230 1.00846.05 C ATOM 60691 O2 C A 6 -840.036 -42.398 -25.064 1.00846.05 O ATOM 60692 N3 C A 6 -842.105 -41.712 -24.450 1.00846.05 N ATOM 60693 C4 C A 6 -843.071 -41.719 -23.530 1.00846.05 C ATOM 60694 N4 C A 6 -844.191 -41.040 -23.791 1.00846.05 N ATOM 60695 C5 C A 6 -842.925 -42.423 -22.295 1.00846.05 C ATOM 60696 C6 C A 6 -841.776 -43.086 -22.090 1.00846.05 C ATOM 60697 P C A 7 -838.322 -45.004 -18.142 1.00846.05 P ATOM 60698 O1P C A 7 -837.134 -45.668 -17.551 1.00846.05 O ATOM 60699 O2P C A 7 -839.664 -45.610 -17.970 1.00846.05 O ATOM 60700 O5* C A 7 -838.356 -43.503 -17.599 1.00846.05 O ATOM 60701 C5* C A 7 -837.259 -42.632 -17.849 1.00846.05 C ATOM 60702 C4* C A 7 -837.731 -41.211 -18.073 1.00846.05 C ATOM 60703 O4* C A 7 -838.655 -41.165 -19.194 1.00846.05 O ATOM 60704 C3* C A 7 -838.479 -40.584 -16.917 1.00846.05 C ATOM 60705 O3* C A 7 -837.563 -40.000 -15.995 1.00846.05 O ATOM 60706 C2* C A 7 -839.325 -39.519 -17.610 1.00846.05 C ATOM 60707 O2* C A 7 -838.586 -38.351 -17.896 1.00846.05 O ATOM 60708 C1* C A 7 -839.654 -40.190 -18.943 1.00846.05 C ATOM 60709 N1 C A 7 -840.981 -40.833 -18.940 1.00846.05 N ATOM 60710 C2 C A 7 -842.113 -40.026 -19.139 1.00846.05 C ATOM 60711 O2 C A 7 -841.964 -38.808 -19.310 1.00846.05 O ATOM 60712 N3 C A 7 -843.337 -40.598 -19.137 1.00846.05 N ATOM 60713 C4 C A 7 -843.462 -41.911 -18.950 1.00846.05 C ATOM 60714 N4 C A 7 -844.692 -42.429 -18.953 1.00846.05 N ATOM 60715 C5 C A 7 -842.327 -42.755 -18.746 1.00846.05 C ATOM 60716 C6 C A 7 -841.117 -42.177 -18.751 1.00846.05 C ATOM 60717 P C A 8 -838.019 -39.729 -14.476 1.00846.05 P ATOM 60718 O1P C A 8 -837.165 -40.560 -13.589 1.00846.05 O ATOM 60719 O2P C A 8 -839.498 -39.852 -14.393 1.00846.05 O ATOM 60720 O5* C A 8 -837.641 -38.202 -14.234 1.00846.05 O ATOM 60721 C5* C A 8 -836.315 -37.828 -13.875 1.00846.05 C ATOM 60722 C4* C A 8 -836.278 -36.373 -13.486 1.00846.05 C ATOM 60723 O4* C A 8 -836.705 -35.543 -14.597 1.00846.05 O ATOM 60724 C3* C A 8 -837.241 -36.071 -12.329 1.00846.05 C ATOM 60725 O3* C A 8 -836.615 -36.223 -11.066 1.00846.05 O ATOM 60726 C2* C A 8 -837.717 -34.650 -12.628 1.00846.05 C ATOM 60727 O2* C A 8 -836.841 -33.661 -12.126 1.00846.05 O ATOM 60728 C1* C A 8 -837.695 -34.628 -14.161 1.00846.05 C ATOM 60729 N1 C A 8 -838.973 -34.993 -14.797 1.00846.05 N ATOM 60730 C2 C A 8 -840.125 -34.247 -14.507 1.00846.05 C ATOM 60731 O2 C A 8 -840.051 -33.310 -13.697 1.00846.05 O ATOM 60732 N3 C A 8 -841.291 -34.567 -15.114 1.00846.05 N ATOM 60733 C4 C A 8 -841.338 -35.583 -15.975 1.00846.05 C ATOM 60734 N4 C A 8 -842.507 -35.857 -16.559 1.00846.05 N ATOM 60735 C5 C A 8 -840.186 -36.369 -16.279 1.00846.05 C ATOM 60736 C6 C A 8 -839.035 -36.043 -15.673 1.00846.05 C ATOM 60737 P G A 9 -837.227 -37.251 -10.000 1.00846.05 P ATOM 60738 O1P G A 9 -836.429 -37.138 -8.752 1.00846.05 O ATOM 60739 O2P G A 9 -837.396 -38.574 -10.652 1.00846.05 O ATOM 60740 O5* G A 9 -838.666 -36.635 -9.735 1.00846.05 O ATOM 60741 C5* G A 9 -838.795 -35.264 -9.391 1.00846.05 C ATOM 60742 C4* G A 9 -840.240 -34.864 -9.378 1.00846.05 C ATOM 60743 O4* G A 9 -840.915 -35.234 -10.604 1.00846.05 O ATOM 60744 C3* G A 9 -841.066 -35.479 -8.286 1.00846.05 C ATOM 60745 O3* G A 9 -840.845 -34.764 -7.083 1.00846.05 O ATOM 60746 C2* G A 9 -842.485 -35.312 -8.818 1.00846.05 C ATOM 60747 O2* G A 9 -843.020 -34.024 -8.579 1.00846.05 O ATOM 60748 C1* G A 9 -842.280 -35.497 -10.320 1.00846.05 C ATOM 60749 N9 G A 9 -842.601 -36.865 -10.708 1.00846.05 N ATOM 60750 C8 G A 9 -841.750 -37.937 -10.817 1.00846.05 C ATOM 60751 N7 G A 9 -842.366 -39.045 -11.135 1.00846.05 N ATOM 60752 C5 G A 9 -843.699 -38.678 -11.248 1.00846.05 C ATOM 60753 C6 G A 9 -844.848 -39.451 -11.567 1.00846.05 C ATOM 60754 O6 G A 9 -844.923 -40.659 -11.809 1.00846.05 O ATOM 60755 N1 G A 9 -846.001 -38.670 -11.576 1.00846.05 N ATOM 60756 C2 G A 9 -846.047 -37.326 -11.314 1.00846.05 C ATOM 60757 N2 G A 9 -847.257 -36.750 -11.378 1.00846.05 N ATOM 60758 N3 G A 9 -844.987 -36.598 -11.012 1.00846.05 N ATOM 60759 C4 G A 9 -843.858 -37.331 -11.000 1.00846.05 C ATOM 60760 P U A 10 -841.552 -35.242 -5.724 1.00846.05 P ATOM 60761 O1P U A 10 -841.045 -34.368 -4.635 1.00846.05 O ATOM 60762 O2P U A 10 -841.402 -36.712 -5.617 1.00846.05 O ATOM 60763 O5* U A 10 -843.088 -34.902 -5.964 1.00846.05 O ATOM 60764 C5* U A 10 -843.650 -33.695 -5.462 1.00846.05 C ATOM 60765 C4* U A 10 -845.009 -33.960 -4.872 1.00846.05 C ATOM 60766 O4* U A 10 -845.944 -34.271 -5.939 1.00846.05 O ATOM 60767 C3* U A 10 -845.046 -35.174 -3.978 1.00846.05 C ATOM 60768 O3* U A 10 -844.647 -34.835 -2.662 1.00846.05 O ATOM 60769 C2* U A 10 -846.496 -35.628 -4.067 1.00846.05 C ATOM 60770 O2* U A 10 -847.355 -34.915 -3.200 1.00846.05 O ATOM 60771 C1* U A 10 -846.831 -35.294 -5.520 1.00846.05 C ATOM 60772 N1 U A 10 -846.641 -36.455 -6.396 1.00846.05 N ATOM 60773 C2 U A 10 -847.682 -37.359 -6.494 1.00846.05 C ATOM 60774 O2 U A 10 -848.735 -37.214 -5.896 1.00846.05 O ATOM 60775 N3 U A 10 -847.447 -38.436 -7.313 1.00846.05 N ATOM 60776 C4 U A 10 -846.286 -38.690 -8.029 1.00846.05 C ATOM 60777 O4 U A 10 -846.207 -39.714 -8.712 1.00846.05 O ATOM 60778 C5 U A 10 -845.259 -37.704 -7.877 1.00846.05 C ATOM 60779 C6 U A 10 -845.467 -36.649 -7.089 1.00846.05 C ATOM 60780 P G A 11 -844.568 -35.985 -1.549 1.00846.05 P ATOM 60781 O1P G A 11 -843.824 -35.446 -0.382 1.00846.05 O ATOM 60782 O2P G A 11 -844.096 -37.228 -2.212 1.00846.05 O ATOM 60783 O5* G A 11 -846.093 -36.195 -1.141 1.00846.05 O ATOM 60784 C5* G A 11 -846.541 -37.436 -0.618 1.00846.05 C ATOM 60785 C4* G A 11 -847.978 -37.681 -1.013 1.00846.05 C ATOM 60786 O4* G A 11 -848.085 -37.857 -2.450 1.00846.05 O ATOM 60787 C3* G A 11 -848.609 -38.924 -0.422 1.00846.05 C ATOM 60788 O3* G A 11 -849.077 -38.649 0.891 1.00846.05 O ATOM 60789 C2* G A 11 -849.723 -39.244 -1.414 1.00846.05 C ATOM 60790 O2* G A 11 -850.892 -38.487 -1.180 1.00846.05 O ATOM 60791 C1* G A 11 -849.092 -38.813 -2.740 1.00846.05 C ATOM 60792 N9 G A 11 -848.477 -39.918 -3.471 1.00846.05 N ATOM 60793 C8 G A 11 -847.132 -40.153 -3.617 1.00846.05 C ATOM 60794 N7 G A 11 -846.874 -41.219 -4.325 1.00846.05 N ATOM 60795 C5 G A 11 -848.119 -41.721 -4.666 1.00846.05 C ATOM 60796 C6 G A 11 -848.473 -42.865 -5.430 1.00846.05 C ATOM 60797 O6 G A 11 -847.725 -43.689 -5.972 1.00846.05 O ATOM 60798 N1 G A 11 -849.852 -43.007 -5.534 1.00846.05 N ATOM 60799 C2 G A 11 -850.779 -42.160 -4.981 1.00846.05 C ATOM 60800 N2 G A 11 -852.064 -42.482 -5.200 1.00846.05 N ATOM 60801 N3 G A 11 -850.465 -41.086 -4.263 1.00846.05 N ATOM 60802 C4 G A 11 -849.127 -40.928 -4.150 1.00846.05 C ATOM 60803 P C A 12 -848.965 -39.781 2.021 1.00846.05 P ATOM 60804 O1P C A 12 -849.765 -39.332 3.187 1.00846.05 O ATOM 60805 O2P C A 12 -847.532 -40.121 2.201 1.00846.05 O ATOM 60806 O5* C A 12 -849.697 -41.031 1.358 1.00846.05 O ATOM 60807 C5* C A 12 -851.109 -41.030 1.169 1.00846.05 C ATOM 60808 C4* C A 12 -851.572 -42.387 0.703 1.00846.05 C ATOM 60809 O4* C A 12 -851.045 -42.652 -0.623 1.00846.05 O ATOM 60810 C3* C A 12 -851.048 -43.565 1.506 1.00846.05 C ATOM 60811 O3* C A 12 -851.809 -43.762 2.693 1.00846.05 O ATOM 60812 C2* C A 12 -851.157 -44.734 0.531 1.00846.05 C ATOM 60813 O2* C A 12 -852.437 -45.332 0.544 1.00846.05 O ATOM 60814 C1* C A 12 -850.922 -44.047 -0.818 1.00846.05 C ATOM 60815 N1 C A 12 -849.594 -44.300 -1.402 1.00846.05 N ATOM 60816 C2 C A 12 -849.497 -44.763 -2.721 1.00846.05 C ATOM 60817 O2 C A 12 -850.540 -44.966 -3.365 1.00846.05 O ATOM 60818 N3 C A 12 -848.278 -44.978 -3.261 1.00846.05 N ATOM 60819 C4 C A 12 -847.179 -44.751 -2.536 1.00846.05 C ATOM 60820 N4 C A 12 -845.996 -44.970 -3.108 1.00846.05 N ATOM 60821 C5 C A 12 -847.248 -44.290 -1.190 1.00846.05 C ATOM 60822 C6 C A 12 -848.462 -44.078 -0.670 1.00846.05 C ATOM 60823 P C A 13 -851.097 -43.613 4.124 1.00846.05 P ATOM 60824 O1P C A 13 -852.042 -44.131 5.149 1.00846.05 O ATOM 60825 O2P C A 13 -850.562 -42.235 4.249 1.00846.05 O ATOM 60826 O5* C A 13 -849.864 -44.622 4.033 1.00846.05 O ATOM 60827 C5* C A 13 -850.058 -45.957 3.579 1.00846.05 C ATOM 60828 C4* C A 13 -848.978 -46.329 2.590 1.00846.05 C ATOM 60829 O4* C A 13 -848.221 -45.144 2.228 1.00846.05 O ATOM 60830 C3* C A 13 -847.947 -47.293 3.114 1.00846.05 C ATOM 60831 O3* C A 13 -848.416 -48.620 2.954 1.00846.05 O ATOM 60832 C2* C A 13 -846.730 -46.992 2.255 1.00846.05 C ATOM 60833 O2* C A 13 -846.789 -47.613 0.985 1.00846.05 O ATOM 60834 C1* C A 13 -846.848 -45.474 2.096 1.00846.05 C ATOM 60835 N1 C A 13 -846.105 -44.799 3.171 1.00846.05 N ATOM 60836 C2 C A 13 -844.709 -44.750 3.092 1.00846.05 C ATOM 60837 O2 C A 13 -844.144 -45.246 2.105 1.00846.05 O ATOM 60838 N3 C A 13 -844.009 -44.164 4.090 1.00846.05 N ATOM 60839 C4 C A 13 -844.652 -43.640 5.136 1.00846.05 C ATOM 60840 N4 C A 13 -843.920 -43.082 6.103 1.00846.05 N ATOM 60841 C5 C A 13 -846.074 -43.668 5.236 1.00846.05 C ATOM 60842 C6 C A 13 -846.750 -44.250 4.241 1.00846.05 C ATOM 60843 P C A 14 -848.813 -49.468 4.261 1.00846.05 P ATOM 60844 O1P C A 14 -848.258 -50.837 4.104 1.00846.05 O ATOM 60845 O2P C A 14 -850.269 -49.289 4.495 1.00846.05 O ATOM 60846 O5* C A 14 -848.026 -48.733 5.439 1.00846.05 O ATOM 60847 C5* C A 14 -846.990 -49.399 6.159 1.00846.05 C ATOM 60848 C4* C A 14 -845.642 -49.112 5.531 1.00846.05 C ATOM 60849 O4* C A 14 -845.434 -47.677 5.470 1.00846.05 O ATOM 60850 C3* C A 14 -844.438 -49.653 6.296 1.00846.05 C ATOM 60851 O3* C A 14 -844.153 -50.995 5.893 1.00846.05 O ATOM 60852 C2* C A 14 -843.314 -48.698 5.901 1.00846.05 C ATOM 60853 O2* C A 14 -842.673 -49.063 4.697 1.00846.05 O ATOM 60854 C1* C A 14 -844.069 -47.381 5.702 1.00846.05 C ATOM 60855 N1 C A 14 -843.983 -46.431 6.831 1.00846.05 N ATOM 60856 C2 C A 14 -842.739 -45.874 7.164 1.00846.05 C ATOM 60857 O2 C A 14 -841.736 -46.208 6.517 1.00846.05 O ATOM 60858 N3 C A 14 -842.665 -44.990 8.186 1.00846.05 N ATOM 60859 C4 C A 14 -843.765 -44.655 8.861 1.00846.05 C ATOM 60860 N4 C A 14 -843.648 -43.771 9.853 1.00846.05 N ATOM 60861 C5 C A 14 -845.042 -45.209 8.547 1.00846.05 C ATOM 60862 C6 C A 14 -845.102 -46.087 7.535 1.00846.05 C ATOM 60863 P A A 15 -843.229 -51.924 6.827 1.00846.05 P ATOM 60864 O1P A A 15 -844.103 -52.979 7.390 1.00846.05 O ATOM 60865 O2P A A 15 -842.460 -51.044 7.739 1.00846.05 O ATOM 60866 O5* A A 15 -842.199 -52.625 5.835 1.00846.05 O ATOM 60867 C5* A A 15 -841.993 -52.129 4.516 1.00846.05 C ATOM 60868 C4* A A 15 -840.995 -52.993 3.775 1.00846.05 C ATOM 60869 O4* A A 15 -839.698 -52.962 4.426 1.00846.05 O ATOM 60870 C3* A A 15 -841.300 -54.470 3.767 1.00846.05 C ATOM 60871 O3* A A 15 -842.262 -54.726 2.754 1.00846.05 O ATOM 60872 C2* A A 15 -839.957 -55.136 3.476 1.00846.05 C ATOM 60873 O2* A A 15 -839.694 -55.285 2.097 1.00846.05 O ATOM 60874 C1* A A 15 -838.971 -54.135 4.084 1.00846.05 C ATOM 60875 N9 A A 15 -838.344 -54.688 5.282 1.00846.05 N ATOM 60876 C8 A A 15 -838.939 -55.159 6.427 1.00846.05 C ATOM 60877 N7 A A 15 -838.089 -55.659 7.293 1.00846.05 N ATOM 60878 C5 A A 15 -836.854 -55.493 6.685 1.00846.05 C ATOM 60879 C6 A A 15 -835.551 -55.829 7.084 1.00846.05 C ATOM 60880 N6 A A 15 -835.266 -56.451 8.226 1.00846.05 N ATOM 60881 N1 A A 15 -834.537 -55.512 6.248 1.00846.05 N ATOM 60882 C2 A A 15 -834.827 -54.911 5.089 1.00846.05 C ATOM 60883 N3 A A 15 -836.011 -54.556 4.596 1.00846.05 N ATOM 60884 C4 A A 15 -836.994 -54.878 5.457 1.00846.05 C ATOM 60885 P U A 16 -843.483 -55.723 3.070 1.00846.05 P ATOM 60886 O1P U A 16 -844.258 -55.132 4.188 1.00846.05 O ATOM 60887 O2P U A 16 -842.932 -57.096 3.206 1.00846.05 O ATOM 60888 O5* U A 16 -844.384 -55.674 1.758 1.00846.05 O ATOM 60889 C5* U A 16 -845.387 -56.655 1.521 1.00846.05 C ATOM 60890 C4* U A 16 -844.804 -57.811 0.748 1.00846.05 C ATOM 60891 O4* U A 16 -845.862 -58.731 0.377 1.00846.05 O ATOM 60892 C3* U A 16 -844.149 -57.447 -0.575 1.00846.05 C ATOM 60893 O3* U A 16 -842.815 -56.980 -0.376 1.00846.05 O ATOM 60894 C2* U A 16 -844.232 -58.746 -1.366 1.00846.05 C ATOM 60895 O2* U A 16 -843.176 -59.636 -1.073 1.00846.05 O ATOM 60896 C1* U A 16 -845.554 -59.337 -0.867 1.00846.05 C ATOM 60897 N1 U A 16 -846.681 -59.119 -1.781 1.00846.05 N ATOM 60898 C2 U A 16 -847.267 -60.233 -2.359 1.00846.05 C ATOM 60899 O2 U A 16 -846.886 -61.367 -2.132 1.00846.05 O ATOM 60900 N3 U A 16 -848.310 -59.964 -3.209 1.00846.05 N ATOM 60901 C4 U A 16 -848.821 -58.724 -3.536 1.00846.05 C ATOM 60902 O4 U A 16 -849.764 -58.646 -4.325 1.00846.05 O ATOM 60903 C5 U A 16 -848.166 -57.622 -2.898 1.00846.05 C ATOM 60904 C6 U A 16 -847.143 -57.852 -2.065 1.00846.05 C ATOM 60905 P A A 17 -842.388 -55.547 -0.971 1.00846.05 P ATOM 60906 O1P A A 17 -842.647 -54.543 0.087 1.00846.05 O ATOM 60907 O2P A A 17 -843.026 -55.392 -2.303 1.00846.05 O ATOM 60908 O5* A A 17 -840.811 -55.626 -1.180 1.00846.05 O ATOM 60909 C5* A A 17 -839.967 -54.574 -0.713 1.00846.05 C ATOM 60910 C4* A A 17 -839.299 -53.882 -1.880 1.00846.05 C ATOM 60911 O4* A A 17 -840.311 -53.408 -2.810 1.00846.05 O ATOM 60912 C3* A A 17 -838.511 -52.641 -1.529 1.00846.05 C ATOM 60913 O3* A A 17 -837.195 -52.967 -1.112 1.00846.05 O ATOM 60914 C2* A A 17 -838.504 -51.854 -2.832 1.00846.05 C ATOM 60915 O2* A A 17 -837.488 -52.272 -3.718 1.00846.05 O ATOM 60916 C1* A A 17 -839.878 -52.195 -3.404 1.00846.05 C ATOM 60917 N9 A A 17 -840.855 -51.139 -3.123 1.00846.05 N ATOM 60918 C8 A A 17 -840.686 -49.782 -3.299 1.00846.05 C ATOM 60919 N7 A A 17 -841.756 -49.079 -3.021 1.00846.05 N ATOM 60920 C5 A A 17 -842.691 -50.028 -2.627 1.00846.05 C ATOM 60921 C6 A A 17 -844.029 -49.921 -2.214 1.00846.05 C ATOM 60922 N6 A A 17 -844.692 -48.766 -2.142 1.00846.05 N ATOM 60923 N1 A A 17 -844.674 -51.058 -1.878 1.00846.05 N ATOM 60924 C2 A A 17 -844.013 -52.217 -1.964 1.00846.05 C ATOM 60925 N3 A A 17 -842.757 -52.449 -2.346 1.00846.05 N ATOM 60926 C4 A A 17 -842.142 -51.299 -2.669 1.00846.05 C ATOM 60927 P G A 18 -836.278 -51.817 -0.472 1.00846.05 P ATOM 60928 O1P G A 18 -837.165 -50.925 0.317 1.00846.05 O ATOM 60929 O2P G A 18 -835.408 -51.245 -1.525 1.00846.05 O ATOM 60930 O5* G A 18 -835.367 -52.633 0.547 1.00846.05 O ATOM 60931 C5* G A 18 -834.733 -51.994 1.650 1.00846.05 C ATOM 60932 C4* G A 18 -833.417 -52.669 1.919 1.00846.05 C ATOM 60933 O4* G A 18 -833.673 -54.012 2.396 1.00846.05 O ATOM 60934 C3* G A 18 -832.479 -52.883 0.744 1.00846.05 C ATOM 60935 O3* G A 18 -831.769 -51.702 0.389 1.00846.05 O ATOM 60936 C2* G A 18 -831.604 -54.039 1.214 1.00846.05 C ATOM 60937 O2* G A 18 -830.537 -53.620 2.042 1.00846.05 O ATOM 60938 C1* G A 18 -832.602 -54.866 2.029 1.00846.05 C ATOM 60939 N9 G A 18 -833.175 -55.984 1.289 1.00846.05 N ATOM 60940 C8 G A 18 -833.993 -55.909 0.188 1.00846.05 C ATOM 60941 N7 G A 18 -834.357 -57.077 -0.265 1.00846.05 N ATOM 60942 C5 G A 18 -833.743 -57.980 0.589 1.00846.05 C ATOM 60943 C6 G A 18 -833.768 -59.399 0.601 1.00846.05 C ATOM 60944 O6 G A 18 -834.358 -60.169 -0.169 1.00846.05 O ATOM 60945 N1 G A 18 -833.003 -59.916 1.640 1.00846.05 N ATOM 60946 C2 G A 18 -832.304 -59.164 2.556 1.00846.05 C ATOM 60947 N2 G A 18 -831.631 -59.844 3.490 1.00846.05 N ATOM 60948 N3 G A 18 -832.272 -57.843 2.555 1.00846.05 N ATOM 60949 C4 G A 18 -833.007 -57.322 1.552 1.00846.05 C ATOM 60950 P C A 19 -831.200 -51.532 -1.104 1.00846.05 P ATOM 60951 O1P C A 19 -830.492 -50.231 -1.163 1.00846.05 O ATOM 60952 O2P C A 19 -832.301 -51.814 -2.063 1.00846.05 O ATOM 60953 O5* C A 19 -830.120 -52.696 -1.215 1.00846.05 O ATOM 60954 C5* C A 19 -828.911 -52.616 -0.470 1.00846.05 C ATOM 60955 C4* C A 19 -828.150 -53.918 -0.544 1.00846.05 C ATOM 60956 O4* C A 19 -828.989 -55.023 -0.118 1.00846.05 O ATOM 60957 C3* C A 19 -827.643 -54.409 -1.898 1.00846.05 C ATOM 60958 O3* C A 19 -826.450 -53.731 -2.280 1.00846.05 O ATOM 60959 C2* C A 19 -827.397 -55.898 -1.664 1.00846.05 C ATOM 60960 O2* C A 19 -826.118 -56.153 -1.128 1.00846.05 O ATOM 60961 C1* C A 19 -828.456 -56.238 -0.614 1.00846.05 C ATOM 60962 N1 C A 19 -829.562 -57.074 -1.121 1.00846.05 N ATOM 60963 C2 C A 19 -829.634 -58.420 -0.719 1.00846.05 C ATOM 60964 O2 C A 19 -828.765 -58.871 0.042 1.00846.05 O ATOM 60965 N3 C A 19 -830.649 -59.189 -1.175 1.00846.05 N ATOM 60966 C4 C A 19 -831.567 -58.671 -1.993 1.00846.05 C ATOM 60967 N4 C A 19 -832.547 -59.468 -2.416 1.00846.05 N ATOM 60968 C5 C A 19 -831.514 -57.313 -2.421 1.00846.05 C ATOM 60969 C6 C A 19 -830.504 -56.556 -1.965 1.00846.05 C ATOM 60970 P A A 20 -825.993 -53.738 -3.823 1.00846.05 P ATOM 60971 O1P A A 20 -824.701 -53.014 -3.905 1.00846.05 O ATOM 60972 O2P A A 20 -827.139 -53.295 -4.654 1.00846.05 O ATOM 60973 O5* A A 20 -825.718 -55.278 -4.136 1.00846.05 O ATOM 60974 C5* A A 20 -824.534 -55.917 -3.669 1.00846.05 C ATOM 60975 C4* A A 20 -824.504 -57.353 -4.131 1.00846.05 C ATOM 60976 O4* A A 20 -825.632 -58.069 -3.571 1.00846.05 O ATOM 60977 C3* A A 20 -824.610 -57.597 -5.629 1.00846.05 C ATOM 60978 O3* A A 20 -823.337 -57.461 -6.257 1.00846.05 O ATOM 60979 C2* A A 20 -825.148 -59.022 -5.704 1.00846.05 C ATOM 60980 O2* A A 20 -824.134 -60.003 -5.616 1.00846.05 O ATOM 60981 C1* A A 20 -826.033 -59.095 -4.458 1.00846.05 C ATOM 60982 N9 A A 20 -827.461 -58.938 -4.735 1.00846.05 N ATOM 60983 C8 A A 20 -828.228 -57.805 -4.613 1.00846.05 C ATOM 60984 N7 A A 20 -829.490 -57.986 -4.920 1.00846.05 N ATOM 60985 C5 A A 20 -829.560 -59.327 -5.267 1.00846.05 C ATOM 60986 C6 A A 20 -830.624 -60.144 -5.689 1.00846.05 C ATOM 60987 N6 A A 20 -831.879 -59.709 -5.828 1.00846.05 N ATOM 60988 N1 A A 20 -830.353 -61.437 -5.961 1.00846.05 N ATOM 60989 C2 A A 20 -829.096 -61.873 -5.815 1.00846.05 C ATOM 60990 N3 A A 20 -828.012 -61.208 -5.424 1.00846.05 N ATOM 60991 C4 A A 20 -828.315 -59.924 -5.161 1.00846.05 C ATOM 60992 P C A 21 -823.256 -57.093 -7.819 1.00846.05 P ATOM 60993 O1P C A 21 -821.814 -57.012 -8.174 1.00846.05 O ATOM 60994 O2P C A 21 -824.144 -55.935 -8.080 1.00846.05 O ATOM 60995 O5* C A 21 -823.870 -58.373 -8.541 1.00846.05 O ATOM 60996 C5* C A 21 -823.183 -59.622 -8.510 1.00846.05 C ATOM 60997 C4* C A 21 -823.777 -60.578 -9.513 1.00846.05 C ATOM 60998 O4* C A 21 -825.069 -61.060 -9.062 1.00846.05 O ATOM 60999 C3* C A 21 -824.047 -60.009 -10.892 1.00846.05 C ATOM 61000 O3* C A 21 -822.872 -59.981 -11.688 1.00846.05 O ATOM 61001 C2* C A 21 -825.103 -60.957 -11.446 1.00846.05 C ATOM 61002 O2* C A 21 -824.542 -62.131 -12.003 1.00846.05 O ATOM 61003 C1* C A 21 -825.895 -61.320 -10.186 1.00846.05 C ATOM 61004 N1 C A 21 -827.136 -60.535 -10.059 1.00846.05 N ATOM 61005 C2 C A 21 -828.222 -60.865 -10.876 1.00846.05 C ATOM 61006 O2 C A 21 -828.109 -61.811 -11.669 1.00846.05 O ATOM 61007 N3 C A 21 -829.363 -60.148 -10.781 1.00846.05 N ATOM 61008 C4 C A 21 -829.446 -59.137 -9.913 1.00846.05 C ATOM 61009 N4 C A 21 -830.590 -58.452 -9.859 1.00846.05 N ATOM 61010 C5 C A 21 -828.358 -58.782 -9.063 1.00846.05 C ATOM 61011 C6 C A 21 -827.230 -59.503 -9.169 1.00846.05 C ATOM 61012 P U A 22 -822.731 -58.871 -12.841 1.00846.05 P ATOM 61013 O1P U A 22 -821.347 -58.962 -13.382 1.00846.05 O ATOM 61014 O2P U A 22 -823.225 -57.576 -12.307 1.00846.05 O ATOM 61015 O5* U A 22 -823.739 -59.364 -13.967 1.00846.05 O ATOM 61016 C5* U A 22 -823.469 -60.547 -14.712 1.00846.05 C ATOM 61017 C4* U A 22 -824.392 -60.644 -15.904 1.00846.05 C ATOM 61018 O4* U A 22 -825.758 -60.828 -15.454 1.00846.05 O ATOM 61019 C3* U A 22 -824.422 -59.397 -16.770 1.00846.05 C ATOM 61020 O3* U A 22 -823.387 -59.406 -17.743 1.00846.05 O ATOM 61021 C2* U A 22 -825.806 -59.467 -17.407 1.00846.05 C ATOM 61022 O2* U A 22 -825.844 -60.318 -18.535 1.00846.05 O ATOM 61023 C1* U A 22 -826.639 -60.084 -16.278 1.00846.05 C ATOM 61024 N1 U A 22 -827.306 -59.061 -15.464 1.00846.05 N ATOM 61025 C2 U A 22 -828.609 -58.738 -15.791 1.00846.05 C ATOM 61026 O2 U A 22 -829.212 -59.274 -16.703 1.00846.05 O ATOM 61027 N3 U A 22 -829.178 -57.764 -15.010 1.00846.05 N ATOM 61028 C4 U A 22 -828.592 -57.094 -13.957 1.00846.05 C ATOM 61029 O4 U A 22 -829.234 -56.225 -13.365 1.00846.05 O ATOM 61030 C5 U A 22 -827.246 -57.486 -13.675 1.00846.05 C ATOM 61031 C6 U A 22 -826.664 -58.436 -14.418 1.00846.05 C ATOM 61032 P G A 23 -822.433 -58.121 -17.895 1.00846.05 P ATOM 61033 O1P G A 23 -821.193 -58.557 -18.588 1.00846.05 O ATOM 61034 O2P G A 23 -822.340 -57.446 -16.576 1.00846.05 O ATOM 61035 O5* G A 23 -823.240 -57.171 -18.884 1.00846.05 O ATOM 61036 C5* G A 23 -823.645 -57.638 -20.166 1.00846.05 C ATOM 61037 C4* G A 23 -824.974 -57.040 -20.548 1.00846.05 C ATOM 61038 O4* G A 23 -825.933 -57.249 -19.483 1.00846.05 O ATOM 61039 C3* G A 23 -825.021 -55.531 -20.783 1.00846.05 C ATOM 61040 O3* G A 23 -824.537 -55.179 -22.073 1.00846.05 O ATOM 61041 C2* G A 23 -826.506 -55.222 -20.601 1.00846.05 C ATOM 61042 O2* G A 23 -827.274 -55.470 -21.759 1.00846.05 O ATOM 61043 C1* G A 23 -826.894 -56.211 -19.500 1.00846.05 C ATOM 61044 N9 G A 23 -826.922 -55.570 -18.191 1.00846.05 N ATOM 61045 C8 G A 23 -825.854 -55.249 -17.384 1.00846.05 C ATOM 61046 N7 G A 23 -826.214 -54.645 -16.284 1.00846.05 N ATOM 61047 C5 G A 23 -827.598 -54.569 -16.368 1.00846.05 C ATOM 61048 C6 G A 23 -828.547 -54.008 -15.472 1.00846.05 C ATOM 61049 O6 G A 23 -828.349 -53.445 -14.390 1.00846.05 O ATOM 61050 N1 G A 23 -829.846 -54.152 -15.953 1.00846.05 N ATOM 61051 C2 G A 23 -830.186 -54.746 -17.143 1.00846.05 C ATOM 61052 N2 G A 23 -831.494 -54.785 -17.438 1.00846.05 N ATOM 61053 N3 G A 23 -829.313 -55.266 -17.984 1.00846.05 N ATOM 61054 C4 G A 23 -828.046 -55.141 -17.535 1.00846.05 C ATOM 61055 P U A 24 -823.642 -53.858 -22.249 1.00846.05 P ATOM 61056 O1P U A 24 -822.716 -54.094 -23.383 1.00846.05 O ATOM 61057 O2P U A 24 -823.095 -53.485 -20.916 1.00846.05 O ATOM 61058 O5* U A 24 -824.697 -52.746 -22.681 1.00846.05 O ATOM 61059 C5* U A 24 -825.524 -52.945 -23.820 1.00846.05 C ATOM 61060 C4* U A 24 -826.915 -52.411 -23.569 1.00846.05 C ATOM 61061 O4* U A 24 -827.490 -53.048 -22.394 1.00846.05 O ATOM 61062 C3* U A 24 -826.987 -50.942 -23.286 1.00846.05 C ATOM 61063 O3* U A 24 -827.101 -50.267 -24.529 1.00846.05 O ATOM 61064 C2* U A 24 -828.264 -50.799 -22.474 1.00846.05 C ATOM 61065 O2* U A 24 -829.416 -50.716 -23.286 1.00846.05 O ATOM 61066 C1* U A 24 -828.282 -52.106 -21.685 1.00846.05 C ATOM 61067 N1 U A 24 -827.725 -51.913 -20.339 1.00846.05 N ATOM 61068 C2 U A 24 -828.592 -52.063 -19.273 1.00846.05 C ATOM 61069 O2 U A 24 -829.768 -52.360 -19.412 1.00846.05 O ATOM 61070 N3 U A 24 -828.035 -51.859 -18.037 1.00846.05 N ATOM 61071 C4 U A 24 -826.726 -51.524 -17.762 1.00846.05 C ATOM 61072 O4 U A 24 -826.370 -51.402 -16.585 1.00846.05 O ATOM 61073 C5 U A 24 -825.890 -51.389 -18.915 1.00846.05 C ATOM 61074 C6 U A 24 -826.405 -51.585 -20.133 1.00846.05 C ATOM 61075 P G A 25 -826.242 -48.933 -24.771 1.00846.05 P ATOM 61076 O1P G A 25 -825.392 -49.152 -25.971 1.00846.05 O ATOM 61077 O2P G A 25 -825.614 -48.540 -23.487 1.00846.05 O ATOM 61078 O5* G A 25 -827.342 -47.837 -25.135 1.00846.05 O ATOM 61079 C5* G A 25 -828.611 -48.222 -25.650 1.00846.05 C ATOM 61080 C4* G A 25 -829.702 -47.406 -25.001 1.00846.05 C ATOM 61081 O4* G A 25 -829.828 -47.746 -23.594 1.00846.05 O ATOM 61082 C3* G A 25 -829.414 -45.923 -25.043 1.00846.05 C ATOM 61083 O3* G A 25 -829.878 -45.336 -26.257 1.00846.05 O ATOM 61084 C2* G A 25 -830.143 -45.396 -23.814 1.00846.05 C ATOM 61085 O2* G A 25 -831.513 -45.148 -24.058 1.00846.05 O ATOM 61086 C1* G A 25 -829.987 -46.559 -22.831 1.00846.05 C ATOM 61087 N9 G A 25 -828.819 -46.406 -21.969 1.00846.05 N ATOM 61088 C8 G A 25 -827.504 -46.359 -22.367 1.00846.05 C ATOM 61089 N7 G A 25 -826.670 -46.205 -21.379 1.00846.05 N ATOM 61090 C5 G A 25 -827.480 -46.141 -20.253 1.00846.05 C ATOM 61091 C6 G A 25 -827.138 -45.980 -18.884 1.00846.05 C ATOM 61092 O6 G A 25 -826.018 -45.851 -18.381 1.00846.05 O ATOM 61093 N1 G A 25 -828.268 -45.977 -18.072 1.00846.05 N ATOM 61094 C2 G A 25 -829.559 -46.110 -18.514 1.00846.05 C ATOM 61095 N2 G A 25 -830.507 -46.083 -17.561 1.00846.05 N ATOM 61096 N3 G A 25 -829.893 -46.261 -19.790 1.00846.05 N ATOM 61097 C4 G A 25 -828.810 -46.269 -20.598 1.00846.05 C ATOM 61098 P G A 26 -828.817 -44.700 -27.285 1.00846.05 P ATOM 61099 O1P G A 26 -829.382 -43.415 -27.771 1.00846.05 O ATOM 61100 O2P G A 26 -828.415 -45.741 -28.265 1.00846.05 O ATOM 61101 O5* G A 26 -827.553 -44.361 -26.376 1.00846.05 O ATOM 61102 C5* G A 26 -826.811 -43.168 -26.585 1.00846.05 C ATOM 61103 C4* G A 26 -827.464 -42.024 -25.854 1.00846.05 C ATOM 61104 O4* G A 26 -827.992 -42.482 -24.591 1.00846.05 O ATOM 61105 C3* G A 26 -826.574 -40.840 -25.507 1.00846.05 C ATOM 61106 O3* G A 26 -826.478 -39.933 -26.599 1.00846.05 O ATOM 61107 C2* G A 26 -827.312 -40.206 -24.326 1.00846.05 C ATOM 61108 O2* G A 26 -828.318 -39.306 -24.746 1.00846.05 O ATOM 61109 C1* G A 26 -827.977 -41.419 -23.665 1.00846.05 C ATOM 61110 N9 G A 26 -827.392 -41.904 -22.424 1.00846.05 N ATOM 61111 C8 G A 26 -826.173 -42.516 -22.268 1.00846.05 C ATOM 61112 N7 G A 26 -825.932 -42.874 -21.035 1.00846.05 N ATOM 61113 C5 G A 26 -827.056 -42.470 -20.334 1.00846.05 C ATOM 61114 C6 G A 26 -827.373 -42.590 -18.956 1.00846.05 C ATOM 61115 O6 G A 26 -826.696 -43.095 -18.049 1.00846.05 O ATOM 61116 N1 G A 26 -828.619 -42.047 -18.667 1.00846.05 N ATOM 61117 C2 G A 26 -829.457 -41.463 -19.583 1.00846.05 C ATOM 61118 N2 G A 26 -830.624 -41.000 -19.109 1.00846.05 N ATOM 61119 N3 G A 26 -829.174 -41.340 -20.873 1.00846.05 N ATOM 61120 C4 G A 26 -827.966 -41.863 -21.174 1.00846.05 C ATOM 61121 P A A 27 -825.550 -38.630 -26.483 1.00846.05 P ATOM 61122 O1P A A 27 -824.854 -38.467 -27.787 1.00846.05 O ATOM 61123 O2P A A 27 -824.755 -38.723 -25.231 1.00846.05 O ATOM 61124 O5* A A 27 -826.613 -37.454 -26.334 1.00846.05 O ATOM 61125 C5* A A 27 -826.603 -36.335 -27.210 1.00846.05 C ATOM 61126 C4* A A 27 -827.999 -36.061 -27.722 1.00846.05 C ATOM 61127 O4* A A 27 -828.434 -37.149 -28.580 1.00846.05 O ATOM 61128 C3* A A 27 -829.090 -35.949 -26.683 1.00846.05 C ATOM 61129 O3* A A 27 -829.132 -34.623 -26.165 1.00846.05 O ATOM 61130 C2* A A 27 -830.356 -36.264 -27.474 1.00846.05 C ATOM 61131 O2* A A 27 -830.876 -35.131 -28.137 1.00846.05 O ATOM 61132 C1* A A 27 -829.847 -37.273 -28.504 1.00846.05 C ATOM 61133 N9 A A 27 -830.191 -38.648 -28.145 1.00846.05 N ATOM 61134 C8 A A 27 -829.437 -39.594 -27.493 1.00846.05 C ATOM 61135 N7 A A 27 -830.061 -40.731 -27.308 1.00846.05 N ATOM 61136 C5 A A 27 -831.309 -40.527 -27.884 1.00846.05 C ATOM 61137 C6 A A 27 -832.443 -41.350 -28.013 1.00846.05 C ATOM 61138 N6 A A 27 -832.506 -42.602 -27.555 1.00846.05 N ATOM 61139 N1 A A 27 -833.523 -40.834 -28.642 1.00846.05 N ATOM 61140 C2 A A 27 -833.462 -39.580 -29.100 1.00846.05 C ATOM 61141 N3 A A 27 -832.458 -38.707 -29.033 1.00846.05 N ATOM 61142 C4 A A 27 -831.398 -39.248 -28.405 1.00846.05 C ATOM 61143 P A A 28 -829.876 -34.335 -24.767 1.00846.05 P ATOM 61144 O1P A A 28 -829.620 -32.914 -24.422 1.00846.05 O ATOM 61145 O2P A A 28 -829.489 -35.400 -23.807 1.00846.05 O ATOM 61146 O5* A A 28 -831.429 -34.488 -25.088 1.00846.05 O ATOM 61147 C5* A A 28 -832.220 -33.358 -25.456 1.00846.05 C ATOM 61148 C4* A A 28 -833.661 -33.559 -25.038 1.00846.05 C ATOM 61149 O4* A A 28 -834.304 -34.481 -25.951 1.00846.05 O ATOM 61150 C3* A A 28 -833.909 -34.234 -23.701 1.00846.05 C ATOM 61151 O3* A A 28 -833.823 -33.284 -22.643 1.00846.05 O ATOM 61152 C2* A A 28 -835.321 -34.800 -23.820 1.00846.05 C ATOM 61153 O2* A A 28 -836.311 -33.867 -23.440 1.00846.05 O ATOM 61154 C1* A A 28 -835.429 -35.072 -25.321 1.00846.05 C ATOM 61155 N9 A A 28 -835.427 -36.500 -25.642 1.00846.05 N ATOM 61156 C8 A A 28 -834.689 -37.492 -25.048 1.00846.05 C ATOM 61157 N7 A A 28 -834.916 -38.684 -25.537 1.00846.05 N ATOM 61158 C5 A A 28 -835.868 -38.465 -26.523 1.00846.05 C ATOM 61159 C6 A A 28 -836.535 -39.331 -27.408 1.00846.05 C ATOM 61160 N6 A A 28 -836.333 -40.653 -27.442 1.00846.05 N ATOM 61161 N1 A A 28 -837.422 -38.791 -28.266 1.00846.05 N ATOM 61162 C2 A A 28 -837.628 -37.468 -28.228 1.00846.05 C ATOM 61163 N3 A A 28 -837.070 -36.552 -27.440 1.00846.05 N ATOM 61164 C4 A A 28 -836.189 -37.122 -26.598 1.00846.05 C ATOM 61165 P C A 29 -832.775 -33.509 -21.441 1.00846.05 P ATOM 61166 O1P C A 29 -832.611 -32.193 -20.767 1.00846.05 O ATOM 61167 O2P C A 29 -831.585 -34.199 -21.997 1.00846.05 O ATOM 61168 O5* C A 29 -833.514 -34.493 -20.429 1.00846.05 O ATOM 61169 C5* C A 29 -834.780 -34.151 -19.867 1.00846.05 C ATOM 61170 C4* C A 29 -835.287 -35.276 -18.994 1.00846.05 C ATOM 61171 O4* C A 29 -835.482 -36.443 -19.833 1.00846.05 O ATOM 61172 C3* C A 29 -834.318 -35.716 -17.907 1.00846.05 C ATOM 61173 O3* C A 29 -834.572 -34.981 -16.705 1.00846.05 O ATOM 61174 C2* C A 29 -834.667 -37.192 -17.719 1.00846.05 C ATOM 61175 O2* C A 29 -835.758 -37.382 -16.840 1.00846.05 O ATOM 61176 C1* C A 29 -835.100 -37.608 -19.126 1.00846.05 C ATOM 61177 N1 C A 29 -834.093 -38.331 -19.924 1.00846.05 N ATOM 61178 C2 C A 29 -834.121 -39.732 -19.943 1.00846.05 C ATOM 61179 O2 C A 29 -834.980 -40.323 -19.270 1.00846.05 O ATOM 61180 N3 C A 29 -833.216 -40.402 -20.693 1.00846.05 N ATOM 61181 C4 C A 29 -832.303 -39.730 -21.397 1.00846.05 C ATOM 61182 N4 C A 29 -831.432 -40.431 -22.127 1.00846.05 N ATOM 61183 C5 C A 29 -832.248 -38.306 -21.391 1.00846.05 C ATOM 61184 C6 C A 29 -833.150 -37.652 -20.644 1.00846.05 C ATOM 61185 P C A 30 -833.577 -33.793 -16.253 1.00846.05 P ATOM 61186 O1P C A 30 -834.295 -32.983 -15.237 1.00846.05 O ATOM 61187 O2P C A 30 -833.015 -33.133 -17.451 1.00846.05 O ATOM 61188 O5* C A 30 -832.372 -34.532 -15.523 1.00846.05 O ATOM 61189 C5* C A 30 -832.546 -35.168 -14.260 1.00846.05 C ATOM 61190 C4* C A 30 -831.557 -36.302 -14.125 1.00846.05 C ATOM 61191 O4* C A 30 -831.710 -37.141 -15.298 1.00846.05 O ATOM 61192 C3* C A 30 -830.080 -35.951 -14.146 1.00846.05 C ATOM 61193 O3* C A 30 -829.613 -35.567 -12.859 1.00846.05 O ATOM 61194 C2* C A 30 -829.430 -37.241 -14.624 1.00846.05 C ATOM 61195 O2* C A 30 -829.251 -38.177 -13.580 1.00846.05 O ATOM 61196 C1* C A 30 -830.477 -37.764 -15.607 1.00846.05 C ATOM 61197 N1 C A 30 -830.148 -37.458 -17.012 1.00846.05 N ATOM 61198 C2 C A 30 -829.501 -38.429 -17.771 1.00846.05 C ATOM 61199 O2 C A 30 -829.219 -39.502 -17.235 1.00846.05 O ATOM 61200 N3 C A 30 -829.194 -38.176 -19.062 1.00846.05 N ATOM 61201 C4 C A 30 -829.510 -37.003 -19.604 1.00846.05 C ATOM 61202 N4 C A 30 -829.197 -36.815 -20.892 1.00846.05 N ATOM 61203 C5 C A 30 -830.166 -35.979 -18.853 1.00846.05 C ATOM 61204 C6 C A 30 -830.465 -36.248 -17.570 1.00846.05 C ATOM 61205 P A A 31 -828.245 -34.736 -12.721 1.00846.05 P ATOM 61206 O1P A A 31 -828.159 -34.240 -11.324 1.00846.05 O ATOM 61207 O2P A A 31 -828.174 -33.769 -13.846 1.00846.05 O ATOM 61208 O5* A A 31 -827.101 -35.826 -12.935 1.00846.05 O ATOM 61209 C5* A A 31 -826.748 -36.733 -11.894 1.00846.05 C ATOM 61210 C4* A A 31 -825.351 -37.264 -12.118 1.00846.05 C ATOM 61211 O4* A A 31 -825.330 -38.041 -13.343 1.00846.05 O ATOM 61212 C3* A A 31 -824.279 -36.210 -12.321 1.00846.05 C ATOM 61213 O3* A A 31 -823.776 -35.689 -11.097 1.00846.05 O ATOM 61214 C2* A A 31 -823.226 -36.955 -13.123 1.00846.05 C ATOM 61215 O2* A A 31 -822.389 -37.754 -12.308 1.00846.05 O ATOM 61216 C1* A A 31 -824.087 -37.857 -14.006 1.00846.05 C ATOM 61217 N9 A A 31 -824.364 -37.248 -15.308 1.00846.05 N ATOM 61218 C8 A A 31 -825.427 -36.441 -15.631 1.00846.05 C ATOM 61219 N7 A A 31 -825.422 -36.034 -16.877 1.00846.05 N ATOM 61220 C5 A A 31 -824.283 -36.617 -17.413 1.00846.05 C ATOM 61221 C6 A A 31 -823.714 -36.574 -18.700 1.00846.05 C ATOM 61222 N6 A A 31 -824.242 -35.894 -19.723 1.00846.05 N ATOM 61223 N1 A A 31 -822.569 -37.259 -18.903 1.00846.05 N ATOM 61224 C2 A A 31 -822.039 -37.941 -17.879 1.00846.05 C ATOM 61225 N3 A A 31 -822.479 -38.060 -16.627 1.00846.05 N ATOM 61226 C4 A A 31 -823.620 -37.366 -16.458 1.00846.05 C ATOM 61227 P C A 32 -822.988 -34.284 -11.099 1.00846.05 P ATOM 61228 O1P C A 32 -822.715 -33.923 -9.686 1.00846.05 O ATOM 61229 O2P C A 32 -823.729 -33.336 -11.967 1.00846.05 O ATOM 61230 O5* C A 32 -821.600 -34.628 -11.801 1.00846.05 O ATOM 61231 C5* C A 32 -820.710 -35.567 -11.216 1.00846.05 C ATOM 61232 C4* C A 32 -819.610 -35.937 -12.184 1.00846.05 C ATOM 61233 O4* C A 32 -820.167 -36.582 -13.362 1.00846.05 O ATOM 61234 C3* C A 32 -818.815 -34.781 -12.741 1.00846.05 C ATOM 61235 O3* C A 32 -817.808 -34.365 -11.831 1.00846.05 O ATOM 61236 C2* C A 32 -818.236 -35.360 -14.025 1.00846.05 C ATOM 61237 O2* C A 32 -817.087 -36.147 -13.792 1.00846.05 O ATOM 61238 C1* C A 32 -819.384 -36.254 -14.499 1.00846.05 C ATOM 61239 N1 C A 32 -820.229 -35.537 -15.468 1.00846.05 N ATOM 61240 C2 C A 32 -819.823 -35.490 -16.808 1.00846.05 C ATOM 61241 O2 C A 32 -818.789 -36.085 -17.139 1.00846.05 O ATOM 61242 N3 C A 32 -820.567 -34.800 -17.698 1.00846.05 N ATOM 61243 C4 C A 32 -821.677 -34.175 -17.302 1.00846.05 C ATOM 61244 N4 C A 32 -822.370 -33.492 -18.217 1.00846.05 N ATOM 61245 C5 C A 32 -822.123 -34.222 -15.949 1.00846.05 C ATOM 61246 C6 C A 32 -821.378 -34.908 -15.076 1.00846.05 C ATOM 61247 P C A 33 -817.581 -32.797 -11.583 1.00846.05 P ATOM 61248 O1P C A 33 -816.642 -32.643 -10.443 1.00846.05 O ATOM 61249 O2P C A 33 -818.917 -32.151 -11.525 1.00846.05 O ATOM 61250 O5* C A 33 -816.855 -32.302 -12.912 1.00846.05 O ATOM 61251 C5* C A 33 -815.779 -33.045 -13.482 1.00846.05 C ATOM 61252 C4* C A 33 -815.594 -32.659 -14.930 1.00846.05 C ATOM 61253 O4* C A 33 -816.783 -33.013 -15.683 1.00846.05 O ATOM 61254 C3* C A 33 -815.411 -31.162 -15.149 1.00846.05 C ATOM 61255 O3* C A 33 -814.042 -30.798 -15.028 1.00846.05 O ATOM 61256 C2* C A 33 -815.961 -30.954 -16.556 1.00846.05 C ATOM 61257 O2* C A 33 -815.009 -31.242 -17.563 1.00846.05 O ATOM 61258 C1* C A 33 -817.094 -31.983 -16.610 1.00846.05 C ATOM 61259 N1 C A 33 -818.412 -31.443 -16.246 1.00846.05 N ATOM 61260 C2 C A 33 -818.995 -30.447 -17.046 1.00846.05 C ATOM 61261 O2 C A 33 -818.383 -30.034 -18.044 1.00846.05 O ATOM 61262 N3 C A 33 -820.212 -29.961 -16.706 1.00846.05 N ATOM 61263 C4 C A 33 -820.840 -30.433 -15.625 1.00846.05 C ATOM 61264 N4 C A 33 -822.038 -29.927 -15.331 1.00846.05 N ATOM 61265 C5 C A 33 -820.268 -31.436 -14.797 1.00846.05 C ATOM 61266 C6 C A 33 -819.067 -31.907 -15.141 1.00846.05 C ATOM 61267 P C A 34 -813.655 -29.375 -14.402 1.00846.05 P ATOM 61268 O1P C A 34 -812.347 -29.512 -13.709 1.00846.05 O ATOM 61269 O2P C A 34 -814.830 -28.858 -13.656 1.00846.05 O ATOM 61270 O5* C A 34 -813.448 -28.455 -15.683 1.00846.05 O ATOM 61271 C5* C A 34 -812.965 -28.999 -16.907 1.00846.05 C ATOM 61272 C4* C A 34 -813.572 -28.251 -18.062 1.00846.05 C ATOM 61273 O4* C A 34 -814.968 -28.625 -18.203 1.00846.05 O ATOM 61274 C3* C A 34 -813.602 -26.765 -17.810 1.00846.05 C ATOM 61275 O3* C A 34 -812.357 -26.200 -18.185 1.00846.05 O ATOM 61276 C2* C A 34 -814.793 -26.297 -18.633 1.00846.05 C ATOM 61277 O2* C A 34 -814.478 -26.104 -19.998 1.00846.05 O ATOM 61278 C1* C A 34 -815.753 -27.478 -18.479 1.00846.05 C ATOM 61279 N1 C A 34 -816.680 -27.292 -17.352 1.00846.05 N ATOM 61280 C2 C A 34 -817.941 -26.728 -17.587 1.00846.05 C ATOM 61281 O2 C A 34 -818.249 -26.404 -18.741 1.00846.05 O ATOM 61282 N3 C A 34 -818.784 -26.550 -16.544 1.00846.05 N ATOM 61283 C4 C A 34 -818.416 -26.913 -15.315 1.00846.05 C ATOM 61284 N4 C A 34 -819.285 -26.715 -14.318 1.00846.05 N ATOM 61285 C5 C A 34 -817.142 -27.491 -15.050 1.00846.05 C ATOM 61286 C6 C A 34 -816.317 -27.664 -16.087 1.00846.05 C ATOM 61287 P C A 35 -811.304 -25.796 -17.040 1.00846.05 P ATOM 61288 O1P C A 35 -809.936 -25.949 -17.599 1.00846.05 O ATOM 61289 O2P C A 35 -811.673 -26.515 -15.792 1.00846.05 O ATOM 61290 O5* C A 35 -811.598 -24.249 -16.829 1.00846.05 O ATOM 61291 C5* C A 35 -811.363 -23.333 -17.888 1.00846.05 C ATOM 61292 C4* C A 35 -812.390 -22.231 -17.881 1.00846.05 C ATOM 61293 O4* C A 35 -813.736 -22.758 -18.038 1.00846.05 O ATOM 61294 C3* C A 35 -812.446 -21.406 -16.628 1.00846.05 C ATOM 61295 O3* C A 35 -811.411 -20.434 -16.656 1.00846.05 O ATOM 61296 C2* C A 35 -813.838 -20.792 -16.695 1.00846.05 C ATOM 61297 O2* C A 35 -813.887 -19.648 -17.521 1.00846.05 O ATOM 61298 C1* C A 35 -814.646 -21.922 -17.331 1.00846.05 C ATOM 61299 N1 C A 35 -815.349 -22.713 -16.313 1.00846.05 N ATOM 61300 C2 C A 35 -816.682 -22.393 -16.032 1.00846.05 C ATOM 61301 O2 C A 35 -817.227 -21.488 -16.679 1.00846.05 O ATOM 61302 N3 C A 35 -817.340 -23.080 -15.068 1.00846.05 N ATOM 61303 C4 C A 35 -816.716 -24.052 -14.401 1.00846.05 C ATOM 61304 N4 C A 35 -817.400 -24.693 -13.450 1.00846.05 N ATOM 61305 C5 C A 35 -815.363 -24.413 -14.679 1.00846.05 C ATOM 61306 C6 C A 35 -814.724 -23.723 -15.635 1.00846.05 C ATOM 61307 P A A 36 -810.327 -20.412 -15.473 1.00846.05 P ATOM 61308 O1P A A 36 -809.176 -19.585 -15.911 1.00846.05 O ATOM 61309 O2P A A 36 -810.100 -21.818 -15.048 1.00846.05 O ATOM 61310 O5* A A 36 -811.075 -19.664 -14.287 1.00846.05 O ATOM 61311 C5* A A 36 -811.401 -18.282 -14.390 1.00846.05 C ATOM 61312 C4* A A 36 -812.327 -17.887 -13.266 1.00846.05 C ATOM 61313 O4* A A 36 -813.557 -18.648 -13.363 1.00846.05 O ATOM 61314 C3* A A 36 -811.835 -18.111 -11.842 1.00846.05 C ATOM 61315 O3* A A 36 -811.051 -16.998 -11.429 1.00846.05 O ATOM 61316 C2* A A 36 -813.134 -18.236 -11.050 1.00846.05 C ATOM 61317 O2* A A 36 -813.660 -16.978 -10.675 1.00846.05 O ATOM 61318 C1* A A 36 -814.068 -18.900 -12.066 1.00846.05 C ATOM 61319 N9 A A 36 -814.246 -20.345 -11.902 1.00846.05 N ATOM 61320 C8 A A 36 -813.595 -21.381 -12.529 1.00846.05 C ATOM 61321 N7 A A 36 -814.035 -22.571 -12.184 1.00846.05 N ATOM 61322 C5 A A 36 -815.040 -22.300 -11.259 1.00846.05 C ATOM 61323 C6 A A 36 -815.930 -23.134 -10.516 1.00846.05 C ATOM 61324 N6 A A 36 -815.988 -24.460 -10.595 1.00846.05 N ATOM 61325 N1 A A 36 -816.796 -22.529 -9.676 1.00846.05 N ATOM 61326 C2 A A 36 -816.782 -21.199 -9.596 1.00846.05 C ATOM 61327 N3 A A 36 -816.021 -20.317 -10.241 1.00846.05 N ATOM 61328 C4 A A 36 -815.162 -20.936 -11.066 1.00846.05 C ATOM 61329 P C A 37 -810.497 -16.931 -9.924 1.00846.05 P ATOM 61330 O1P C A 37 -809.144 -16.319 -9.974 1.00846.05 O ATOM 61331 O2P C A 37 -810.675 -18.270 -9.308 1.00846.05 O ATOM 61332 O5* C A 37 -811.478 -15.910 -9.190 1.00846.05 O ATOM 61333 C5* C A 37 -810.952 -14.847 -8.400 1.00846.05 C ATOM 61334 C4* C A 37 -811.764 -13.587 -8.601 1.00846.05 C ATOM 61335 O4* C A 37 -811.719 -13.193 -9.996 1.00846.05 O ATOM 61336 C3* C A 37 -813.254 -13.657 -8.292 1.00846.05 C ATOM 61337 O3* C A 37 -813.515 -13.489 -6.898 1.00846.05 O ATOM 61338 C2* C A 37 -813.822 -12.502 -9.106 1.00846.05 C ATOM 61339 O2* C A 37 -813.711 -11.262 -8.434 1.00846.05 O ATOM 61340 C1* C A 37 -812.906 -12.499 -10.333 1.00846.05 C ATOM 61341 N1 C A 37 -813.510 -13.140 -11.514 1.00846.05 N ATOM 61342 C2 C A 37 -814.637 -12.554 -12.097 1.00846.05 C ATOM 61343 O2 C A 37 -815.085 -11.504 -11.616 1.00846.05 O ATOM 61344 N3 C A 37 -815.211 -13.148 -13.170 1.00846.05 N ATOM 61345 C4 C A 37 -814.694 -14.278 -13.662 1.00846.05 C ATOM 61346 N4 C A 37 -815.296 -14.832 -14.717 1.00846.05 N ATOM 61347 C5 C A 37 -813.543 -14.891 -13.092 1.00846.05 C ATOM 61348 C6 C A 37 -812.985 -14.294 -12.032 1.00846.05 C ATOM 61349 P C A 38 -814.943 -13.917 -6.299 1.00846.05 P ATOM 61350 O1P C A 38 -814.872 -13.763 -4.822 1.00846.05 O ATOM 61351 O2P C A 38 -815.320 -15.229 -6.882 1.00846.05 O ATOM 61352 O5* C A 38 -815.954 -12.817 -6.860 1.00846.05 O ATOM 61353 C5* C A 38 -815.910 -11.470 -6.394 1.00846.05 C ATOM 61354 C4* C A 38 -816.804 -10.599 -7.245 1.00846.05 C ATOM 61355 O4* C A 38 -816.419 -10.767 -8.635 1.00846.05 O ATOM 61356 C3* C A 38 -818.281 -10.919 -7.254 1.00846.05 C ATOM 61357 O3* C A 38 -818.915 -10.292 -6.145 1.00846.05 O ATOM 61358 C2* C A 38 -818.756 -10.334 -8.577 1.00846.05 C ATOM 61359 O2* C A 38 -819.018 -8.947 -8.495 1.00846.05 O ATOM 61360 C1* C A 38 -817.545 -10.582 -9.477 1.00846.05 C ATOM 61361 N1 C A 38 -817.707 -11.800 -10.284 1.00846.05 N ATOM 61362 C2 C A 38 -818.299 -11.706 -11.548 1.00846.05 C ATOM 61363 O2 C A 38 -818.645 -10.589 -11.964 1.00846.05 O ATOM 61364 N3 C A 38 -818.477 -12.830 -12.280 1.00846.05 N ATOM 61365 C4 C A 38 -818.084 -14.009 -11.797 1.00846.05 C ATOM 61366 N4 C A 38 -818.290 -15.092 -12.549 1.00846.05 N ATOM 61367 C5 C A 38 -817.470 -14.133 -10.521 1.00846.05 C ATOM 61368 C6 C A 38 -817.298 -13.014 -9.803 1.00846.05 C ATOM 61369 P C A 39 -819.700 -11.192 -5.066 1.00846.05 P ATOM 61370 O1P C A 39 -819.779 -10.409 -3.807 1.00846.05 O ATOM 61371 O2P C A 39 -819.087 -12.544 -5.056 1.00846.05 O ATOM 61372 O5* C A 39 -821.173 -11.320 -5.660 1.00846.05 O ATOM 61373 C5* C A 39 -822.081 -10.218 -5.606 1.00846.05 C ATOM 61374 C4* C A 39 -823.513 -10.706 -5.648 1.00846.05 C ATOM 61375 O4* C A 39 -823.766 -11.415 -6.886 1.00846.05 O ATOM 61376 C3* C A 39 -823.893 -11.665 -4.525 1.00846.05 C ATOM 61377 O3* C A 39 -824.355 -10.945 -3.390 1.00846.05 O ATOM 61378 C2* C A 39 -825.012 -12.492 -5.152 1.00846.05 C ATOM 61379 O2* C A 39 -826.275 -11.873 -5.042 1.00846.05 O ATOM 61380 C1* C A 39 -824.598 -12.531 -6.626 1.00846.05 C ATOM 61381 N1 C A 39 -823.893 -13.759 -7.028 1.00846.05 N ATOM 61382 C2 C A 39 -824.555 -14.985 -6.900 1.00846.05 C ATOM 61383 O2 C A 39 -825.713 -14.997 -6.449 1.00846.05 O ATOM 61384 N3 C A 39 -823.925 -16.123 -7.268 1.00846.05 N ATOM 61385 C4 C A 39 -822.683 -16.067 -7.748 1.00846.05 C ATOM 61386 N4 C A 39 -822.096 -17.215 -8.099 1.00846.05 N ATOM 61387 C5 C A 39 -821.982 -14.833 -7.891 1.00846.05 C ATOM 61388 C6 C A 39 -822.619 -13.716 -7.523 1.00846.05 C ATOM 61389 P C A 40 -823.764 -11.291 -1.935 1.00846.05 P ATOM 61390 O1P C A 40 -824.684 -10.701 -0.928 1.00846.05 O ATOM 61391 O2P C A 40 -822.323 -10.929 -1.913 1.00846.05 O ATOM 61392 O5* C A 40 -823.885 -12.877 -1.844 1.00846.05 O ATOM 61393 C5* C A 40 -825.103 -13.490 -1.446 1.00846.05 C ATOM 61394 C4* C A 40 -824.975 -14.994 -1.481 1.00846.05 C ATOM 61395 O4* C A 40 -824.725 -15.442 -2.841 1.00846.05 O ATOM 61396 C3* C A 40 -823.853 -15.613 -0.661 1.00846.05 C ATOM 61397 O3* C A 40 -824.208 -15.765 0.708 1.00846.05 O ATOM 61398 C2* C A 40 -823.648 -16.957 -1.349 1.00846.05 C ATOM 61399 O2* C A 40 -824.567 -17.938 -0.916 1.00846.05 O ATOM 61400 C1* C A 40 -823.918 -16.608 -2.815 1.00846.05 C ATOM 61401 N1 C A 40 -822.677 -16.343 -3.556 1.00846.05 N ATOM 61402 C2 C A 40 -821.816 -17.410 -3.829 1.00846.05 C ATOM 61403 O2 C A 40 -822.148 -18.552 -3.472 1.00846.05 O ATOM 61404 N3 C A 40 -820.656 -17.176 -4.477 1.00846.05 N ATOM 61405 C4 C A 40 -820.340 -15.933 -4.855 1.00846.05 C ATOM 61406 N4 C A 40 -819.176 -15.746 -5.481 1.00846.05 N ATOM 61407 C5 C A 40 -821.204 -14.828 -4.603 1.00846.05 C ATOM 61408 C6 C A 40 -822.353 -15.076 -3.959 1.00846.05 C ATOM 61409 P A A 41 -823.177 -15.285 1.850 1.00846.05 P ATOM 61410 O1P A A 41 -823.390 -16.143 3.043 1.00846.05 O ATOM 61411 O2P A A 41 -823.297 -13.812 1.977 1.00846.05 O ATOM 61412 O5* A A 41 -821.738 -15.612 1.246 1.00846.05 O ATOM 61413 C5* A A 41 -821.304 -16.955 1.047 1.00846.05 C ATOM 61414 C4* A A 41 -819.851 -16.976 0.640 1.00846.05 C ATOM 61415 O4* A A 41 -819.586 -15.798 -0.163 1.00846.05 O ATOM 61416 C3* A A 41 -818.834 -16.831 1.751 1.00846.05 C ATOM 61417 O3* A A 41 -818.611 -18.103 2.354 1.00846.05 O ATOM 61418 C2* A A 41 -817.596 -16.296 1.042 1.00846.05 C ATOM 61419 O2* A A 41 -816.815 -17.318 0.460 1.00846.05 O ATOM 61420 C1* A A 41 -818.221 -15.435 -0.058 1.00846.05 C ATOM 61421 N9 A A 41 -818.173 -14.009 0.257 1.00846.05 N ATOM 61422 C8 A A 41 -818.940 -13.341 1.175 1.00846.05 C ATOM 61423 N7 A A 41 -818.669 -12.064 1.267 1.00846.05 N ATOM 61424 C5 A A 41 -817.654 -11.875 0.341 1.00846.05 C ATOM 61425 C6 A A 41 -816.927 -10.736 -0.041 1.00846.05 C ATOM 61426 N6 A A 41 -817.118 -9.523 0.485 1.00846.05 N ATOM 61427 N1 A A 41 -815.983 -10.886 -0.997 1.00846.05 N ATOM 61428 C2 A A 41 -815.790 -12.100 -1.523 1.00846.05 C ATOM 61429 N3 A A 41 -816.409 -13.247 -1.244 1.00846.05 N ATOM 61430 C4 A A 41 -817.341 -13.064 -0.292 1.00846.05 C ATOM 61431 P U A 42 -819.263 -18.427 3.790 1.00846.05 P ATOM 61432 O1P U A 42 -820.706 -18.698 3.568 1.00846.05 O ATOM 61433 O2P U A 42 -818.854 -17.356 4.732 1.00846.05 O ATOM 61434 O5* U A 42 -818.564 -19.786 4.241 1.00846.05 O ATOM 61435 C5* U A 42 -819.320 -20.841 4.835 1.00846.05 C ATOM 61436 C4* U A 42 -819.010 -22.156 4.151 1.00846.05 C ATOM 61437 O4* U A 42 -818.965 -21.922 2.723 1.00846.05 O ATOM 61438 C3* U A 42 -817.671 -22.827 4.452 1.00846.05 C ATOM 61439 O3* U A 42 -817.736 -23.627 5.629 1.00846.05 O ATOM 61440 C2* U A 42 -817.441 -23.682 3.212 1.00846.05 C ATOM 61441 O2* U A 42 -818.131 -24.916 3.268 1.00846.05 O ATOM 61442 C1* U A 42 -818.043 -22.806 2.113 1.00846.05 C ATOM 61443 N1 U A 42 -817.032 -21.989 1.427 1.00846.05 N ATOM 61444 C2 U A 42 -816.429 -22.512 0.303 1.00846.05 C ATOM 61445 O2 U A 42 -816.694 -23.618 -0.135 1.00846.05 O ATOM 61446 N3 U A 42 -815.502 -21.692 -0.288 1.00846.05 N ATOM 61447 C4 U A 42 -815.126 -20.430 0.123 1.00846.05 C ATOM 61448 O4 U A 42 -814.305 -19.798 -0.537 1.00846.05 O ATOM 61449 C5 U A 42 -815.793 -19.963 1.298 1.00846.05 C ATOM 61450 C6 U A 42 -816.701 -20.738 1.894 1.00846.05 C ATOM 61451 P G A 43 -816.389 -24.245 6.245 1.00846.05 P ATOM 61452 O1P G A 43 -815.590 -24.804 5.126 1.00846.05 O ATOM 61453 O2P G A 43 -816.746 -25.114 7.397 1.00846.05 O ATOM 61454 O5* G A 43 -815.613 -22.975 6.808 1.00846.05 O ATOM 61455 C5* G A 43 -816.054 -22.306 7.989 1.00846.05 C ATOM 61456 C4* G A 43 -815.229 -22.761 9.163 1.00846.05 C ATOM 61457 O4* G A 43 -815.733 -24.037 9.623 1.00846.05 O ATOM 61458 C3* G A 43 -813.770 -23.009 8.896 1.00846.05 C ATOM 61459 O3* G A 43 -813.053 -21.781 8.938 1.00846.05 O ATOM 61460 C2* G A 43 -813.384 -23.995 9.988 1.00846.05 C ATOM 61461 O2* G A 43 -813.109 -23.365 11.224 1.00846.05 O ATOM 61462 C1* G A 43 -814.663 -24.826 10.115 1.00846.05 C ATOM 61463 N9 G A 43 -814.618 -26.038 9.306 1.00846.05 N ATOM 61464 C8 G A 43 -813.905 -26.223 8.146 1.00846.05 C ATOM 61465 N7 G A 43 -814.047 -27.413 7.636 1.00846.05 N ATOM 61466 C5 G A 43 -814.908 -28.059 8.515 1.00846.05 C ATOM 61467 C6 G A 43 -815.425 -29.377 8.486 1.00846.05 C ATOM 61468 O6 G A 43 -815.215 -30.270 7.651 1.00846.05 O ATOM 61469 N1 G A 43 -816.263 -29.620 9.566 1.00846.05 N ATOM 61470 C2 G A 43 -816.567 -28.712 10.552 1.00846.05 C ATOM 61471 N2 G A 43 -817.398 -29.137 11.513 1.00846.05 N ATOM 61472 N3 G A 43 -816.088 -27.480 10.592 1.00846.05 N ATOM 61473 C4 G A 43 -815.271 -27.222 9.548 1.00846.05 C ATOM 61474 P C A 44 -812.446 -21.171 7.578 1.00846.05 P ATOM 61475 O1P C A 44 -811.719 -19.926 7.939 1.00846.05 O ATOM 61476 O2P C A 44 -813.534 -21.120 6.566 1.00846.05 O ATOM 61477 O5* C A 44 -811.375 -22.248 7.098 1.00846.05 O ATOM 61478 C5* C A 44 -809.989 -21.940 7.115 1.00846.05 C ATOM 61479 C4* C A 44 -809.295 -22.495 5.890 1.00846.05 C ATOM 61480 O4* C A 44 -809.393 -23.933 5.850 1.00846.05 O ATOM 61481 C3* C A 44 -809.823 -21.987 4.555 1.00846.05 C ATOM 61482 O3* C A 44 -809.186 -20.764 4.196 1.00846.05 O ATOM 61483 C2* C A 44 -809.418 -23.114 3.598 1.00846.05 C ATOM 61484 O2* C A 44 -808.103 -22.962 3.104 1.00846.05 O ATOM 61485 C1* C A 44 -809.456 -24.349 4.502 1.00846.05 C ATOM 61486 N1 C A 44 -810.583 -25.275 4.340 1.00846.05 N ATOM 61487 C2 C A 44 -810.474 -26.300 3.399 1.00846.05 C ATOM 61488 O2 C A 44 -809.453 -26.370 2.701 1.00846.05 O ATOM 61489 N3 C A 44 -811.483 -27.193 3.270 1.00846.05 N ATOM 61490 C4 C A 44 -812.572 -27.084 4.037 1.00846.05 C ATOM 61491 N4 C A 44 -813.533 -27.993 3.888 1.00846.05 N ATOM 61492 C5 C A 44 -812.717 -26.036 4.994 1.00846.05 C ATOM 61493 C6 C A 44 -811.712 -25.157 5.104 1.00846.05 C ATOM 61494 P C A 45 -809.795 -19.850 3.024 1.00846.05 P ATOM 61495 O1P C A 45 -809.230 -18.484 3.184 1.00846.05 O ATOM 61496 O2P C A 45 -811.265 -20.037 2.996 1.00846.05 O ATOM 61497 O5* C A 45 -809.170 -20.465 1.702 1.00846.05 O ATOM 61498 C5* C A 45 -809.889 -20.463 0.481 1.00846.05 C ATOM 61499 C4* C A 45 -809.519 -21.679 -0.311 1.00846.05 C ATOM 61500 O4* C A 45 -809.527 -22.826 0.581 1.00846.05 O ATOM 61501 C3* C A 45 -810.461 -22.043 -1.430 1.00846.05 C ATOM 61502 O3* C A 45 -810.185 -21.329 -2.630 1.00846.05 O ATOM 61503 C2* C A 45 -810.220 -23.544 -1.558 1.00846.05 C ATOM 61504 O2* C A 45 -808.998 -23.826 -2.194 1.00846.05 O ATOM 61505 C1* C A 45 -810.038 -23.954 -0.101 1.00846.05 C ATOM 61506 N1 C A 45 -811.315 -24.326 0.519 1.00846.05 N ATOM 61507 C2 C A 45 -811.866 -25.582 0.237 1.00846.05 C ATOM 61508 O2 C A 45 -811.250 -26.355 -0.511 1.00846.05 O ATOM 61509 N3 C A 45 -813.052 -25.921 0.791 1.00846.05 N ATOM 61510 C4 C A 45 -813.680 -25.062 1.596 1.00846.05 C ATOM 61511 N4 C A 45 -814.849 -25.437 2.117 1.00846.05 N ATOM 61512 C5 C A 45 -813.140 -23.781 1.902 1.00846.05 C ATOM 61513 C6 C A 45 -811.965 -23.458 1.348 1.00846.05 C ATOM 61514 P G A 46 -811.380 -20.565 -3.403 1.00846.05 P ATOM 61515 O1P G A 46 -810.784 -19.371 -4.060 1.00846.05 O ATOM 61516 O2P G A 46 -812.520 -20.394 -2.471 1.00846.05 O ATOM 61517 O5* G A 46 -811.837 -21.565 -4.557 1.00846.05 O ATOM 61518 C5* G A 46 -811.664 -22.973 -4.433 1.00846.05 C ATOM 61519 C4* G A 46 -812.982 -23.625 -4.097 1.00846.05 C ATOM 61520 O4* G A 46 -813.668 -22.788 -3.132 1.00846.05 O ATOM 61521 C3* G A 46 -813.975 -23.769 -5.232 1.00846.05 C ATOM 61522 O3* G A 46 -813.724 -24.977 -5.944 1.00846.05 O ATOM 61523 C2* G A 46 -815.318 -23.798 -4.514 1.00846.05 C ATOM 61524 O2* G A 46 -815.645 -25.081 -4.018 1.00846.05 O ATOM 61525 C1* G A 46 -815.062 -22.847 -3.346 1.00846.05 C ATOM 61526 N9 G A 46 -815.537 -21.496 -3.618 1.00846.05 N ATOM 61527 C8 G A 46 -814.911 -20.534 -4.374 1.00846.05 C ATOM 61528 N7 G A 46 -815.585 -19.420 -4.451 1.00846.05 N ATOM 61529 C5 G A 46 -816.724 -19.658 -3.698 1.00846.05 C ATOM 61530 C6 G A 46 -817.831 -18.820 -3.413 1.00846.05 C ATOM 61531 O6 G A 46 -818.033 -17.658 -3.784 1.00846.05 O ATOM 61532 N1 G A 46 -818.766 -19.460 -2.607 1.00846.05 N ATOM 61533 C2 G A 46 -818.654 -20.744 -2.131 1.00846.05 C ATOM 61534 N2 G A 46 -819.666 -21.187 -1.374 1.00846.05 N ATOM 61535 N3 G A 46 -817.628 -21.538 -2.390 1.00846.05 N ATOM 61536 C4 G A 46 -816.709 -20.934 -3.169 1.00846.05 C ATOM 61537 P A A 47 -814.196 -25.110 -7.481 1.00846.05 P ATOM 61538 O1P A A 47 -812.998 -24.897 -8.333 1.00846.05 O ATOM 61539 O2P A A 47 -815.401 -24.266 -7.681 1.00846.05 O ATOM 61540 O5* A A 47 -814.632 -26.635 -7.614 1.00846.05 O ATOM 61541 C5* A A 47 -815.833 -27.110 -7.016 1.00846.05 C ATOM 61542 C4* A A 47 -815.642 -28.523 -6.518 1.00846.05 C ATOM 61543 O4* A A 47 -814.506 -28.578 -5.622 1.00846.05 O ATOM 61544 C3* A A 47 -816.807 -29.121 -5.732 1.00846.05 C ATOM 61545 O3* A A 47 -817.785 -29.701 -6.590 1.00846.05 O ATOM 61546 C2* A A 47 -816.119 -30.178 -4.871 1.00846.05 C ATOM 61547 O2* A A 47 -815.951 -31.406 -5.550 1.00846.05 O ATOM 61548 C1* A A 47 -814.742 -29.550 -4.622 1.00846.05 C ATOM 61549 N9 A A 47 -814.575 -28.931 -3.307 1.00846.05 N ATOM 61550 C8 A A 47 -814.313 -27.615 -3.006 1.00846.05 C ATOM 61551 N7 A A 47 -814.199 -27.384 -1.719 1.00846.05 N ATOM 61552 C5 A A 47 -814.405 -28.624 -1.136 1.00846.05 C ATOM 61553 C6 A A 47 -814.412 -29.051 0.204 1.00846.05 C ATOM 61554 N6 A A 47 -814.197 -28.241 1.244 1.00846.05 N ATOM 61555 N1 A A 47 -814.648 -30.360 0.446 1.00846.05 N ATOM 61556 C2 A A 47 -814.858 -31.173 -0.596 1.00846.05 C ATOM 61557 N3 A A 47 -814.876 -30.892 -1.897 1.00846.05 N ATOM 61558 C4 A A 47 -814.638 -29.586 -2.102 1.00846.05 C ATOM 61559 P A A 48 -819.313 -29.209 -6.517 1.00846.05 P ATOM 61560 O1P A A 48 -819.868 -29.293 -7.893 1.00846.05 O ATOM 61561 O2P A A 48 -819.354 -27.918 -5.787 1.00846.05 O ATOM 61562 O5* A A 48 -820.031 -30.312 -5.629 1.00846.05 O ATOM 61563 C5* A A 48 -821.170 -31.018 -6.107 1.00846.05 C ATOM 61564 C4* A A 48 -821.998 -31.498 -4.947 1.00846.05 C ATOM 61565 O4* A A 48 -821.186 -32.380 -4.130 1.00846.05 O ATOM 61566 C3* A A 48 -822.488 -30.426 -3.986 1.00846.05 C ATOM 61567 O3* A A 48 -823.710 -29.849 -4.443 1.00846.05 O ATOM 61568 C2* A A 48 -822.654 -31.194 -2.679 1.00846.05 C ATOM 61569 O2* A A 48 -823.876 -31.899 -2.613 1.00846.05 O ATOM 61570 C1* A A 48 -821.508 -32.202 -2.762 1.00846.05 C ATOM 61571 N9 A A 48 -820.297 -31.770 -2.063 1.00846.05 N ATOM 61572 C8 A A 48 -818.991 -31.918 -2.466 1.00846.05 C ATOM 61573 N7 A A 48 -818.119 -31.453 -1.606 1.00846.05 N ATOM 61574 C5 A A 48 -818.900 -30.960 -0.570 1.00846.05 C ATOM 61575 C6 A A 48 -818.575 -30.341 0.651 1.00846.05 C ATOM 61576 N6 A A 48 -817.325 -30.107 1.053 1.00846.05 N ATOM 61577 N1 A A 48 -819.596 -29.965 1.451 1.00846.05 N ATOM 61578 C2 A A 48 -820.850 -30.201 1.050 1.00846.05 C ATOM 61579 N3 A A 48 -821.280 -30.779 -0.068 1.00846.05 N ATOM 61580 C4 A A 48 -820.246 -31.140 -0.844 1.00846.05 C ATOM 61581 P C A 49 -823.786 -28.269 -4.738 1.00846.05 P ATOM 61582 O1P C A 49 -825.112 -28.006 -5.346 1.00846.05 O ATOM 61583 O2P C A 49 -822.556 -27.871 -5.468 1.00846.05 O ATOM 61584 O5* C A 49 -823.743 -27.610 -3.284 1.00846.05 O ATOM 61585 C5* C A 49 -824.925 -27.052 -2.721 1.00846.05 C ATOM 61586 C4* C A 49 -824.631 -25.779 -1.974 1.00846.05 C ATOM 61587 O4* C A 49 -823.806 -26.058 -0.822 1.00846.05 O ATOM 61588 C3* C A 49 -823.904 -24.693 -2.736 1.00846.05 C ATOM 61589 O3* C A 49 -824.818 -23.924 -3.509 1.00846.05 O ATOM 61590 C2* C A 49 -823.283 -23.865 -1.612 1.00846.05 C ATOM 61591 O2* C A 49 -824.174 -22.904 -1.084 1.00846.05 O ATOM 61592 C1* C A 49 -823.005 -24.929 -0.545 1.00846.05 C ATOM 61593 N1 C A 49 -821.600 -25.350 -0.490 1.00846.05 N ATOM 61594 C2 C A 49 -820.688 -24.524 0.161 1.00846.05 C ATOM 61595 O2 C A 49 -821.099 -23.475 0.680 1.00846.05 O ATOM 61596 N3 C A 49 -819.388 -24.882 0.213 1.00846.05 N ATOM 61597 C4 C A 49 -818.990 -26.019 -0.360 1.00846.05 C ATOM 61598 N4 C A 49 -817.696 -26.335 -0.287 1.00846.05 N ATOM 61599 C5 C A 49 -819.900 -26.885 -1.030 1.00846.05 C ATOM 61600 C6 C A 49 -821.186 -26.515 -1.073 1.00846.05 C ATOM 61601 P U A 50 -824.815 -24.063 -5.112 1.00846.05 P ATOM 61602 O1P U A 50 -826.173 -23.705 -5.588 1.00846.05 O ATOM 61603 O2P U A 50 -824.245 -25.385 -5.466 1.00846.05 O ATOM 61604 O5* U A 50 -823.808 -22.927 -5.570 1.00846.05 O ATOM 61605 C5* U A 50 -823.918 -21.634 -5.011 1.00846.05 C ATOM 61606 C4* U A 50 -822.738 -20.790 -5.370 1.00846.05 C ATOM 61607 O4* U A 50 -821.518 -21.557 -5.226 1.00846.05 O ATOM 61608 C3* U A 50 -822.712 -20.282 -6.780 1.00846.05 C ATOM 61609 O3* U A 50 -823.516 -19.118 -6.877 1.00846.05 O ATOM 61610 C2* U A 50 -821.233 -20.008 -7.009 1.00846.05 C ATOM 61611 O2* U A 50 -820.841 -18.753 -6.488 1.00846.05 O ATOM 61612 C1* U A 50 -820.582 -21.127 -6.197 1.00846.05 C ATOM 61613 N1 U A 50 -820.197 -22.274 -7.039 1.00846.05 N ATOM 61614 C2 U A 50 -818.859 -22.645 -7.027 1.00846.05 C ATOM 61615 O2 U A 50 -818.026 -22.097 -6.334 1.00846.05 O ATOM 61616 N3 U A 50 -818.532 -23.687 -7.852 1.00846.05 N ATOM 61617 C4 U A 50 -819.370 -24.397 -8.668 1.00846.05 C ATOM 61618 O4 U A 50 -818.888 -25.307 -9.357 1.00846.05 O ATOM 61619 C5 U A 50 -820.753 -23.976 -8.623 1.00846.05 C ATOM 61620 C6 U A 50 -821.107 -22.949 -7.825 1.00846.05 C ATOM 61621 P G A 51 -824.792 -19.126 -7.853 1.00846.05 P ATOM 61622 O1P G A 51 -825.808 -18.190 -7.315 1.00846.05 O ATOM 61623 O2P G A 51 -825.157 -20.542 -8.105 1.00846.05 O ATOM 61624 O5* G A 51 -824.219 -18.521 -9.212 1.00846.05 O ATOM 61625 C5* G A 51 -824.900 -17.467 -9.892 1.00846.05 C ATOM 61626 C4* G A 51 -824.018 -16.915 -10.981 1.00846.05 C ATOM 61627 O4* G A 51 -822.626 -17.070 -10.610 1.00846.05 O ATOM 61628 C3* G A 51 -824.120 -17.591 -12.341 1.00846.05 C ATOM 61629 O3* G A 51 -825.230 -17.122 -13.088 1.00846.05 O ATOM 61630 C2* G A 51 -822.773 -17.271 -12.972 1.00846.05 C ATOM 61631 O2* G A 51 -822.737 -15.976 -13.537 1.00846.05 O ATOM 61632 C1* G A 51 -821.844 -17.350 -11.761 1.00846.05 C ATOM 61633 N9 G A 51 -821.298 -18.692 -11.582 1.00846.05 N ATOM 61634 C8 G A 51 -821.582 -19.543 -10.542 1.00846.05 C ATOM 61635 N7 G A 51 -820.975 -20.690 -10.639 1.00846.05 N ATOM 61636 C5 G A 51 -820.243 -20.594 -11.811 1.00846.05 C ATOM 61637 C6 G A 51 -819.393 -21.538 -12.432 1.00846.05 C ATOM 61638 O6 G A 51 -819.109 -22.682 -12.058 1.00846.05 O ATOM 61639 N1 G A 51 -818.842 -21.036 -13.608 1.00846.05 N ATOM 61640 C2 G A 51 -819.084 -19.784 -14.119 1.00846.05 C ATOM 61641 N2 G A 51 -818.457 -19.491 -15.266 1.00846.05 N ATOM 61642 N3 G A 51 -819.885 -18.894 -13.550 1.00846.05 N ATOM 61643 C4 G A 51 -820.424 -19.364 -12.406 1.00846.05 C ATOM 61644 P G A 52 -825.866 -18.073 -14.208 1.00846.05 P ATOM 61645 O1P G A 52 -826.990 -17.354 -14.854 1.00846.05 O ATOM 61646 O2P G A 52 -826.108 -19.386 -13.560 1.00846.05 O ATOM 61647 O5* G A 52 -824.684 -18.241 -15.263 1.00846.05 O ATOM 61648 C5* G A 52 -824.420 -17.224 -16.225 1.00846.05 C ATOM 61649 C4* G A 52 -823.484 -17.743 -17.286 1.00846.05 C ATOM 61650 O4* G A 52 -822.243 -18.200 -16.684 1.00846.05 O ATOM 61651 C3* G A 52 -823.993 -18.922 -18.102 1.00846.05 C ATOM 61652 O3* G A 52 -824.822 -18.486 -19.177 1.00846.05 O ATOM 61653 C2* G A 52 -822.707 -19.601 -18.563 1.00846.05 C ATOM 61654 O2* G A 52 -822.166 -19.016 -19.728 1.00846.05 O ATOM 61655 C1* G A 52 -821.771 -19.343 -17.374 1.00846.05 C ATOM 61656 N9 G A 52 -821.699 -20.449 -16.424 1.00846.05 N ATOM 61657 C8 G A 52 -822.305 -20.518 -15.189 1.00846.05 C ATOM 61658 N7 G A 52 -822.044 -21.626 -14.552 1.00846.05 N ATOM 61659 C5 G A 52 -821.220 -22.335 -15.417 1.00846.05 C ATOM 61660 C6 G A 52 -820.615 -23.611 -15.270 1.00846.05 C ATOM 61661 O6 G A 52 -820.684 -24.397 -14.315 1.00846.05 O ATOM 61662 N1 G A 52 -819.863 -23.952 -16.387 1.00846.05 N ATOM 61663 C2 G A 52 -819.710 -23.169 -17.504 1.00846.05 C ATOM 61664 N2 G A 52 -818.944 -23.675 -18.481 1.00846.05 N ATOM 61665 N3 G A 52 -820.267 -21.975 -17.654 1.00846.05 N ATOM 61666 C4 G A 52 -821.003 -21.625 -16.578 1.00846.05 C ATOM 61667 P G A 53 -825.855 -19.509 -19.847 1.00846.05 P ATOM 61668 O1P G A 53 -826.704 -18.752 -20.799 1.00846.05 O ATOM 61669 O2P G A 53 -826.492 -20.309 -18.769 1.00846.05 O ATOM 61670 O5* G A 53 -824.900 -20.460 -20.689 1.00846.05 O ATOM 61671 C5* G A 53 -825.319 -21.740 -21.127 1.00846.05 C ATOM 61672 C4* G A 53 -824.129 -22.498 -21.653 1.00846.05 C ATOM 61673 O4* G A 53 -823.073 -22.458 -20.660 1.00846.05 O ATOM 61674 C3* G A 53 -824.355 -23.980 -21.933 1.00846.05 C ATOM 61675 O3* G A 53 -824.941 -24.233 -23.207 1.00846.05 O ATOM 61676 C2* G A 53 -822.948 -24.552 -21.788 1.00846.05 C ATOM 61677 O2* G A 53 -822.173 -24.396 -22.957 1.00846.05 O ATOM 61678 C1* G A 53 -822.365 -23.682 -20.670 1.00846.05 C ATOM 61679 N9 G A 53 -822.488 -24.261 -19.334 1.00846.05 N ATOM 61680 C8 G A 53 -823.078 -23.672 -18.244 1.00846.05 C ATOM 61681 N7 G A 53 -823.039 -24.417 -17.175 1.00846.05 N ATOM 61682 C5 G A 53 -822.383 -25.570 -17.587 1.00846.05 C ATOM 61683 C6 G A 53 -822.046 -26.736 -16.859 1.00846.05 C ATOM 61684 O6 G A 53 -822.263 -26.992 -15.670 1.00846.05 O ATOM 61685 N1 G A 53 -821.380 -27.659 -17.654 1.00846.05 N ATOM 61686 C2 G A 53 -821.080 -27.487 -18.982 1.00846.05 C ATOM 61687 N2 G A 53 -820.430 -28.500 -19.578 1.00846.05 N ATOM 61688 N3 G A 53 -821.389 -26.402 -19.674 1.00846.05 N ATOM 61689 C4 G A 53 -822.033 -25.488 -18.918 1.00846.05 C ATOM 61690 P U A 54 -826.035 -25.400 -23.362 1.00846.05 P ATOM 61691 O1P U A 54 -827.282 -24.766 -23.863 1.00846.05 O ATOM 61692 O2P U A 54 -826.064 -26.190 -22.108 1.00846.05 O ATOM 61693 O5* U A 54 -825.433 -26.303 -24.526 1.00846.05 O ATOM 61694 C5* U A 54 -824.226 -27.035 -24.357 1.00846.05 C ATOM 61695 C4* U A 54 -823.714 -27.485 -25.704 1.00846.05 C ATOM 61696 O4* U A 54 -823.693 -26.362 -26.617 1.00846.05 O ATOM 61697 C3* U A 54 -822.318 -28.081 -25.721 1.00846.05 C ATOM 61698 O3* U A 54 -822.372 -29.479 -25.444 1.00846.05 O ATOM 61699 C2* U A 54 -821.869 -27.814 -27.162 1.00846.05 C ATOM 61700 O2* U A 54 -822.276 -28.827 -28.054 1.00846.05 O ATOM 61701 C1* U A 54 -822.612 -26.519 -27.509 1.00846.05 C ATOM 61702 N1 U A 54 -821.816 -25.281 -27.533 1.00846.05 N ATOM 61703 C2 U A 54 -822.046 -24.403 -28.580 1.00846.05 C ATOM 61704 O2 U A 54 -822.848 -24.634 -29.466 1.00846.05 O ATOM 61705 N3 U A 54 -821.303 -23.251 -28.546 1.00846.05 N ATOM 61706 C4 U A 54 -820.371 -22.889 -27.598 1.00846.05 C ATOM 61707 O4 U A 54 -819.797 -21.803 -27.696 1.00846.05 O ATOM 61708 C5 U A 54 -820.176 -23.852 -26.554 1.00846.05 C ATOM 61709 C6 U A 54 -820.888 -24.989 -26.556 1.00846.05 C ATOM 61710 P C A 55 -821.168 -30.185 -24.651 1.00846.05 P ATOM 61711 O1P C A 55 -821.735 -30.790 -23.419 1.00846.05 O ATOM 61712 O2P C A 55 -820.040 -29.223 -24.544 1.00846.05 O ATOM 61713 O5* C A 55 -820.721 -31.373 -25.612 1.00846.05 O ATOM 61714 C5* C A 55 -820.839 -31.261 -27.026 1.00846.05 C ATOM 61715 C4* C A 55 -819.483 -31.424 -27.664 1.00846.05 C ATOM 61716 O4* C A 55 -818.555 -30.507 -27.031 1.00846.05 O ATOM 61717 C3* C A 55 -818.832 -32.781 -27.508 1.00846.05 C ATOM 61718 O3* C A 55 -819.315 -33.674 -28.501 1.00846.05 O ATOM 61719 C2* C A 55 -817.348 -32.466 -27.639 1.00846.05 C ATOM 61720 O2* C A 55 -816.931 -32.354 -28.984 1.00846.05 O ATOM 61721 C1* C A 55 -817.270 -31.096 -26.960 1.00846.05 C ATOM 61722 N1 C A 55 -816.909 -31.189 -25.534 1.00846.05 N ATOM 61723 C2 C A 55 -815.573 -31.065 -25.156 1.00846.05 C ATOM 61724 O2 C A 55 -814.716 -30.892 -26.034 1.00846.05 O ATOM 61725 N3 C A 55 -815.248 -31.141 -23.843 1.00846.05 N ATOM 61726 C4 C A 55 -816.203 -31.332 -22.930 1.00846.05 C ATOM 61727 N4 C A 55 -815.843 -31.396 -21.646 1.00846.05 N ATOM 61728 C5 C A 55 -817.575 -31.465 -23.289 1.00846.05 C ATOM 61729 C6 C A 55 -817.881 -31.388 -24.589 1.00846.05 C ATOM 61730 P G A 56 -820.148 -34.972 -28.053 1.00846.05 P ATOM 61731 O1P G A 56 -820.594 -35.676 -29.280 1.00846.05 O ATOM 61732 O2P G A 56 -821.150 -34.549 -27.042 1.00846.05 O ATOM 61733 O5* G A 56 -819.054 -35.874 -27.328 1.00846.05 O ATOM 61734 C5* G A 56 -817.711 -35.916 -27.803 1.00846.05 C ATOM 61735 C4* G A 56 -816.757 -36.040 -26.644 1.00846.05 C ATOM 61736 O4* G A 56 -816.927 -34.929 -25.731 1.00846.05 O ATOM 61737 C3* G A 56 -816.968 -37.292 -25.815 1.00846.05 C ATOM 61738 O3* G A 56 -816.236 -38.370 -26.392 1.00846.05 O ATOM 61739 C2* G A 56 -816.479 -36.878 -24.433 1.00846.05 C ATOM 61740 O2* G A 56 -815.077 -36.998 -24.289 1.00846.05 O ATOM 61741 C1* G A 56 -816.869 -35.394 -24.395 1.00846.05 C ATOM 61742 N9 G A 56 -818.171 -35.145 -23.786 1.00846.05 N ATOM 61743 C8 G A 56 -819.387 -35.151 -24.424 1.00846.05 C ATOM 61744 N7 G A 56 -820.385 -34.881 -23.628 1.00846.05 N ATOM 61745 C5 G A 56 -819.797 -34.686 -22.389 1.00846.05 C ATOM 61746 C6 G A 56 -820.379 -34.364 -21.135 1.00846.05 C ATOM 61747 O6 G A 56 -821.570 -34.179 -20.863 1.00846.05 O ATOM 61748 N1 G A 56 -819.419 -34.259 -20.137 1.00846.05 N ATOM 61749 C2 G A 56 -818.068 -34.441 -20.319 1.00846.05 C ATOM 61750 N2 G A 56 -817.306 -34.292 -19.227 1.00846.05 N ATOM 61751 N3 G A 56 -817.512 -34.742 -21.481 1.00846.05 N ATOM 61752 C4 G A 56 -818.427 -34.848 -22.465 1.00846.05 C ATOM 61753 P U A 57 -816.991 -39.745 -26.742 1.00846.05 P ATOM 61754 O1P U A 57 -816.106 -40.518 -27.652 1.00846.05 O ATOM 61755 O2P U A 57 -818.382 -39.436 -27.158 1.00846.05 O ATOM 61756 O5* U A 57 -817.031 -40.494 -25.342 1.00846.05 O ATOM 61757 C5* U A 57 -818.124 -41.348 -25.033 1.00846.05 C ATOM 61758 C4* U A 57 -818.314 -41.437 -23.541 1.00846.05 C ATOM 61759 O4* U A 57 -818.361 -40.110 -22.957 1.00846.05 O ATOM 61760 C3* U A 57 -819.579 -42.120 -23.071 1.00846.05 C ATOM 61761 O3* U A 57 -819.416 -43.533 -23.061 1.00846.05 O ATOM 61762 C2* U A 57 -819.774 -41.539 -21.673 1.00846.05 C ATOM 61763 O2* U A 57 -818.992 -42.204 -20.704 1.00846.05 O ATOM 61764 C1* U A 57 -819.236 -40.113 -21.848 1.00846.05 C ATOM 61765 N1 U A 57 -820.282 -39.100 -22.063 1.00846.05 N ATOM 61766 C2 U A 57 -820.442 -38.135 -21.082 1.00846.05 C ATOM 61767 O2 U A 57 -819.759 -38.100 -20.074 1.00846.05 O ATOM 61768 N3 U A 57 -821.424 -37.210 -21.330 1.00846.05 N ATOM 61769 C4 U A 57 -822.254 -37.153 -22.433 1.00846.05 C ATOM 61770 O4 U A 57 -823.090 -36.250 -22.512 1.00846.05 O ATOM 61771 C5 U A 57 -822.033 -38.185 -23.399 1.00846.05 C ATOM 61772 C6 U A 57 -821.077 -39.103 -23.187 1.00846.05 C ATOM 61773 P G A 58 -820.713 -44.483 -23.136 1.00846.05 P ATOM 61774 O1P G A 58 -820.239 -45.885 -23.225 1.00846.05 O ATOM 61775 O2P G A 58 -821.630 -43.949 -24.172 1.00846.05 O ATOM 61776 O5* G A 58 -821.391 -44.278 -21.711 1.00846.05 O ATOM 61777 C5* G A 58 -820.729 -44.722 -20.533 1.00846.05 C ATOM 61778 C4* G A 58 -821.571 -44.417 -19.320 1.00846.05 C ATOM 61779 O4* G A 58 -821.640 -42.980 -19.127 1.00846.05 O ATOM 61780 C3* G A 58 -823.013 -44.868 -19.423 1.00846.05 C ATOM 61781 O3* G A 58 -823.214 -46.267 -19.191 1.00846.05 O ATOM 61782 C2* G A 58 -823.765 -43.897 -18.514 1.00846.05 C ATOM 61783 O2* G A 58 -823.851 -44.273 -17.156 1.00846.05 O ATOM 61784 C1* G A 58 -822.920 -42.626 -18.649 1.00846.05 C ATOM 61785 N9 G A 58 -823.493 -41.609 -19.529 1.00846.05 N ATOM 61786 C8 G A 58 -823.206 -41.367 -20.853 1.00846.05 C ATOM 61787 N7 G A 58 -823.905 -40.381 -21.357 1.00846.05 N ATOM 61788 C5 G A 58 -824.695 -39.946 -20.295 1.00846.05 C ATOM 61789 C6 G A 58 -825.679 -38.901 -20.216 1.00846.05 C ATOM 61790 O6 G A 58 -826.064 -38.111 -21.093 1.00846.05 O ATOM 61791 N1 G A 58 -826.234 -38.822 -18.946 1.00846.05 N ATOM 61792 C2 G A 58 -825.899 -39.632 -17.890 1.00846.05 C ATOM 61793 N2 G A 58 -826.538 -39.406 -16.747 1.00846.05 N ATOM 61794 N3 G A 58 -825.000 -40.593 -17.946 1.00846.05 N ATOM 61795 C4 G A 58 -824.445 -40.695 -19.167 1.00846.05 C ATOM 61796 P A A 59 -822.780 -46.934 -17.787 1.00846.05 P ATOM 61797 O1P A A 59 -823.956 -47.693 -17.288 1.00846.05 O ATOM 61798 O2P A A 59 -822.123 -45.939 -16.909 1.00846.05 O ATOM 61799 O5* A A 59 -821.664 -47.996 -18.192 1.00846.05 O ATOM 61800 C5* A A 59 -820.351 -47.573 -18.555 1.00846.05 C ATOM 61801 C4* A A 59 -819.395 -47.790 -17.406 1.00846.05 C ATOM 61802 O4* A A 59 -818.415 -46.722 -17.372 1.00846.05 O ATOM 61803 C3* A A 59 -820.059 -47.785 -16.032 1.00846.05 C ATOM 61804 O3* A A 59 -820.542 -49.059 -15.626 1.00846.05 O ATOM 61805 C2* A A 59 -818.940 -47.299 -15.119 1.00846.05 C ATOM 61806 O2* A A 59 -818.077 -48.343 -14.719 1.00846.05 O ATOM 61807 C1* A A 59 -818.184 -46.328 -16.032 1.00846.05 C ATOM 61808 N9 A A 59 -818.638 -44.949 -15.869 1.00846.05 N ATOM 61809 C8 A A 59 -819.546 -44.251 -16.630 1.00846.05 C ATOM 61810 N7 A A 59 -819.747 -43.024 -16.217 1.00846.05 N ATOM 61811 C5 A A 59 -818.914 -42.902 -15.113 1.00846.05 C ATOM 61812 C6 A A 59 -818.661 -41.839 -14.229 1.00846.05 C ATOM 61813 N6 A A 59 -819.250 -40.644 -14.322 1.00846.05 N ATOM 61814 N1 A A 59 -817.772 -42.045 -13.236 1.00846.05 N ATOM 61815 C2 A A 59 -817.178 -43.242 -13.146 1.00846.05 C ATOM 61816 N3 A A 59 -817.331 -44.319 -13.913 1.00846.05 N ATOM 61817 C4 A A 59 -818.224 -44.077 -14.889 1.00846.05 C ATOM 61818 P A A 60 -821.783 -49.162 -14.607 1.00846.05 P ATOM 61819 O1P A A 60 -822.297 -50.552 -14.699 1.00846.05 O ATOM 61820 O2P A A 60 -822.701 -48.022 -14.861 1.00846.05 O ATOM 61821 O5* A A 60 -821.140 -48.973 -13.158 1.00846.05 O ATOM 61822 C5* A A 60 -821.069 -50.058 -12.238 1.00846.05 C ATOM 61823 C4* A A 60 -821.248 -49.559 -10.816 1.00846.05 C ATOM 61824 O4* A A 60 -820.007 -48.953 -10.370 1.00846.05 O ATOM 61825 C3* A A 60 -822.274 -48.469 -10.588 1.00846.05 C ATOM 61826 O3* A A 60 -823.599 -48.980 -10.486 1.00846.05 O ATOM 61827 C2* A A 60 -821.806 -47.835 -9.285 1.00846.05 C ATOM 61828 O2* A A 60 -822.227 -48.550 -8.139 1.00846.05 O ATOM 61829 C1* A A 60 -820.285 -47.934 -9.426 1.00846.05 C ATOM 61830 N9 A A 60 -819.735 -46.684 -9.940 1.00846.05 N ATOM 61831 C8 A A 60 -819.175 -46.452 -11.172 1.00846.05 C ATOM 61832 N7 A A 60 -818.810 -45.207 -11.360 1.00846.05 N ATOM 61833 C5 A A 60 -819.142 -44.581 -10.168 1.00846.05 C ATOM 61834 C6 A A 60 -819.016 -43.250 -9.733 1.00846.05 C ATOM 61835 N6 A A 60 -818.500 -42.271 -10.481 1.00846.05 N ATOM 61836 N1 A A 60 -819.442 -42.954 -8.486 1.00846.05 N ATOM 61837 C2 A A 60 -819.965 -43.935 -7.741 1.00846.05 C ATOM 61838 N3 A A 60 -820.140 -45.218 -8.040 1.00846.05 N ATOM 61839 C4 A A 60 -819.703 -45.479 -9.282 1.00846.05 C ATOM 61840 P A A 61 -824.821 -48.141 -11.110 1.00846.05 P ATOM 61841 O1P A A 61 -826.059 -48.943 -10.945 1.00846.05 O ATOM 61842 O2P A A 61 -824.420 -47.682 -12.464 1.00846.05 O ATOM 61843 O5* A A 61 -824.934 -46.852 -10.178 1.00846.05 O ATOM 61844 C5* A A 61 -825.288 -46.957 -8.800 1.00846.05 C ATOM 61845 C4* A A 61 -824.946 -45.672 -8.082 1.00846.05 C ATOM 61846 O4* A A 61 -823.604 -45.271 -8.472 1.00846.05 O ATOM 61847 C3* A A 61 -825.772 -44.436 -8.354 1.00846.05 C ATOM 61848 O3* A A 61 -826.943 -44.492 -7.549 1.00846.05 O ATOM 61849 C2* A A 61 -824.829 -43.318 -7.949 1.00846.05 C ATOM 61850 O2* A A 61 -824.767 -43.143 -6.547 1.00846.05 O ATOM 61851 C1* A A 61 -823.498 -43.858 -8.469 1.00846.05 C ATOM 61852 N9 A A 61 -823.317 -43.436 -9.859 1.00846.05 N ATOM 61853 C8 A A 61 -823.007 -44.236 -10.931 1.00846.05 C ATOM 61854 N7 A A 61 -822.955 -43.596 -12.071 1.00846.05 N ATOM 61855 C5 A A 61 -823.242 -42.284 -11.729 1.00846.05 C ATOM 61856 C6 A A 61 -823.342 -41.109 -12.495 1.00846.05 C ATOM 61857 N6 A A 61 -823.169 -41.073 -13.817 1.00846.05 N ATOM 61858 N1 A A 61 -823.637 -39.963 -11.849 1.00846.05 N ATOM 61859 C2 A A 61 -823.818 -40.004 -10.522 1.00846.05 C ATOM 61860 N3 A A 61 -823.752 -41.045 -9.691 1.00846.05 N ATOM 61861 C4 A A 61 -823.455 -42.168 -10.366 1.00846.05 C ATOM 61862 P C A 62 -827.959 -43.245 -7.546 1.00846.05 P ATOM 61863 O1P C A 62 -827.240 -42.083 -6.964 1.00846.05 O ATOM 61864 O2P C A 62 -829.233 -43.704 -6.934 1.00846.05 O ATOM 61865 O5* C A 62 -828.232 -42.944 -9.092 1.00846.05 O ATOM 61866 C5* C A 62 -828.940 -41.771 -9.493 1.00846.05 C ATOM 61867 C4* C A 62 -829.645 -41.991 -10.821 1.00846.05 C ATOM 61868 O4* C A 62 -828.658 -42.028 -11.887 1.00846.05 O ATOM 61869 C3* C A 62 -830.400 -43.282 -11.087 1.00846.05 C ATOM 61870 O3* C A 62 -831.707 -43.211 -10.524 1.00846.05 O ATOM 61871 C2* C A 62 -830.488 -43.372 -12.607 1.00846.05 C ATOM 61872 O2* C A 62 -831.618 -42.697 -13.116 1.00846.05 O ATOM 61873 C1* C A 62 -829.221 -42.634 -13.040 1.00846.05 C ATOM 61874 N1 C A 62 -828.221 -43.538 -13.626 1.00846.05 N ATOM 61875 C2 C A 62 -828.492 -44.150 -14.861 1.00846.05 C ATOM 61876 O2 C A 62 -829.562 -43.909 -15.436 1.00846.05 O ATOM 61877 N3 C A 62 -827.574 -44.992 -15.391 1.00846.05 N ATOM 61878 C4 C A 62 -826.432 -45.231 -14.743 1.00846.05 C ATOM 61879 N4 C A 62 -825.563 -46.073 -15.301 1.00846.05 N ATOM 61880 C5 C A 62 -826.133 -44.620 -13.494 1.00846.05 C ATOM 61881 C6 C A 62 -827.042 -43.788 -12.974 1.00846.05 C ATOM 61882 P A A 63 -832.502 -44.567 -10.176 1.00846.05 P ATOM 61883 O1P A A 63 -833.744 -44.180 -9.461 1.00846.05 O ATOM 61884 O2P A A 63 -831.554 -45.520 -9.543 1.00846.05 O ATOM 61885 O5* A A 63 -832.918 -45.167 -11.596 1.00846.05 O ATOM 61886 C5* A A 63 -833.905 -44.524 -12.398 1.00846.05 C ATOM 61887 C4* A A 63 -834.140 -45.297 -13.675 1.00846.05 C ATOM 61888 O4* A A 63 -832.890 -45.450 -14.398 1.00846.05 O ATOM 61889 C3* A A 63 -834.676 -46.708 -13.570 1.00846.05 C ATOM 61890 O3* A A 63 -836.091 -46.694 -13.414 1.00846.05 O ATOM 61891 C2* A A 63 -834.267 -47.326 -14.901 1.00846.05 C ATOM 61892 O2* A A 63 -835.163 -47.010 -15.945 1.00846.05 O ATOM 61893 C1* A A 63 -832.922 -46.645 -15.162 1.00846.05 C ATOM 61894 N9 A A 63 -831.805 -47.494 -14.751 1.00846.05 N ATOM 61895 C8 A A 63 -831.160 -47.519 -13.543 1.00846.05 C ATOM 61896 N7 A A 63 -830.207 -48.421 -13.470 1.00846.05 N ATOM 61897 C5 A A 63 -830.225 -49.027 -14.719 1.00846.05 C ATOM 61898 C6 A A 63 -829.461 -50.067 -15.278 1.00846.05 C ATOM 61899 N6 A A 63 -828.488 -50.708 -14.627 1.00846.05 N ATOM 61900 N1 A A 63 -829.734 -50.429 -16.553 1.00846.05 N ATOM 61901 C2 A A 63 -830.710 -49.789 -17.207 1.00846.05 C ATOM 61902 N3 A A 63 -831.499 -48.801 -16.785 1.00846.05 N ATOM 61903 C4 A A 63 -831.204 -48.461 -15.519 1.00846.05 C ATOM 61904 P C A 64 -836.829 -47.964 -12.754 1.00846.05 P ATOM 61905 O1P C A 64 -838.259 -47.611 -12.578 1.00846.05 O ATOM 61906 O2P C A 64 -836.029 -48.396 -11.578 1.00846.05 O ATOM 61907 O5* C A 64 -836.724 -49.101 -13.869 1.00846.05 O ATOM 61908 C5* C A 64 -837.522 -49.045 -15.048 1.00846.05 C ATOM 61909 C4* C A 64 -837.203 -50.208 -15.962 1.00846.05 C ATOM 61910 O4* C A 64 -835.804 -50.150 -16.344 1.00846.05 O ATOM 61911 C3* C A 64 -837.373 -51.599 -15.365 1.00846.05 C ATOM 61912 O3* C A 64 -838.710 -52.071 -15.476 1.00846.05 O ATOM 61913 C2* C A 64 -836.427 -52.447 -16.211 1.00846.05 C ATOM 61914 O2* C A 64 -837.013 -52.885 -17.420 1.00846.05 O ATOM 61915 C1* C A 64 -835.300 -51.459 -16.518 1.00846.05 C ATOM 61916 N1 C A 64 -834.133 -51.638 -15.643 1.00846.05 N ATOM 61917 C2 C A 64 -832.936 -52.088 -16.206 1.00846.05 C ATOM 61918 O2 C A 64 -832.892 -52.313 -17.423 1.00846.05 O ATOM 61919 N3 C A 64 -831.859 -52.270 -15.407 1.00846.05 N ATOM 61920 C4 C A 64 -831.947 -52.015 -14.103 1.00846.05 C ATOM 61921 N4 C A 64 -830.862 -52.214 -13.353 1.00846.05 N ATOM 61922 C5 C A 64 -833.152 -51.543 -13.505 1.00846.05 C ATOM 61923 C6 C A 64 -834.210 -51.372 -14.306 1.00846.05 C ATOM 61924 P A A 65 -839.437 -52.721 -14.197 1.00846.05 P ATOM 61925 O1P A A 65 -840.893 -52.468 -14.364 1.00846.05 O ATOM 61926 O2P A A 65 -838.751 -52.251 -12.970 1.00846.05 O ATOM 61927 O5* A A 65 -839.197 -54.288 -14.350 1.00846.05 O ATOM 61928 C5* A A 65 -840.073 -55.082 -15.145 1.00846.05 C ATOM 61929 C4* A A 65 -839.329 -56.223 -15.799 1.00846.05 C ATOM 61930 O4* A A 65 -838.102 -55.744 -16.405 1.00846.05 O ATOM 61931 C3* A A 65 -838.910 -57.384 -14.898 1.00846.05 C ATOM 61932 O3* A A 65 -839.945 -58.343 -14.721 1.00846.05 O ATOM 61933 C2* A A 65 -837.740 -57.984 -15.670 1.00846.05 C ATOM 61934 O2* A A 65 -838.150 -58.873 -16.683 1.00846.05 O ATOM 61935 C1* A A 65 -837.103 -56.747 -16.308 1.00846.05 C ATOM 61936 N9 A A 65 -835.977 -56.238 -15.527 1.00846.05 N ATOM 61937 C8 A A 65 -835.972 -55.350 -14.484 1.00846.05 C ATOM 61938 N7 A A 65 -834.782 -55.121 -13.987 1.00846.05 N ATOM 61939 C5 A A 65 -833.938 -55.911 -14.757 1.00846.05 C ATOM 61940 C6 A A 65 -832.547 -56.120 -14.739 1.00846.05 C ATOM 61941 N6 A A 65 -831.715 -55.528 -13.875 1.00846.05 N ATOM 61942 N1 A A 65 -832.027 -56.972 -15.648 1.00846.05 N ATOM 61943 C2 A A 65 -832.855 -57.572 -16.514 1.00846.05 C ATOM 61944 N3 A A 65 -834.176 -57.457 -16.634 1.00846.05 N ATOM 61945 C4 A A 65 -834.662 -56.602 -15.714 1.00846.05 C ATOM 61946 P G A 66 -839.784 -59.487 -13.600 1.00846.05 P ATOM 61947 O1P G A 66 -841.032 -60.292 -13.588 1.00846.05 O ATOM 61948 O2P G A 66 -839.313 -58.847 -12.344 1.00846.05 O ATOM 61949 O5* G A 66 -838.606 -60.410 -14.149 1.00846.05 O ATOM 61950 C5* G A 66 -838.848 -61.396 -15.151 1.00846.05 C ATOM 61951 C4* G A 66 -837.621 -62.260 -15.319 1.00846.05 C ATOM 61952 O4* G A 66 -836.544 -61.460 -15.870 1.00846.05 O ATOM 61953 C3* G A 66 -837.031 -62.848 -14.062 1.00846.05 C ATOM 61954 O3* G A 66 -837.744 -64.022 -13.704 1.00846.05 O ATOM 61955 C2* G A 66 -835.580 -63.103 -14.447 1.00846.05 C ATOM 61956 O2* G A 66 -835.400 -64.326 -15.138 1.00846.05 O ATOM 61957 C1* G A 66 -835.298 -61.926 -15.380 1.00846.05 C ATOM 61958 N9 G A 66 -834.666 -60.820 -14.668 1.00846.05 N ATOM 61959 C8 G A 66 -835.267 -59.653 -14.274 1.00846.05 C ATOM 61960 N7 G A 66 -834.463 -58.853 -13.629 1.00846.05 N ATOM 61961 C5 G A 66 -833.254 -59.531 -13.601 1.00846.05 C ATOM 61962 C6 G A 66 -832.009 -59.163 -13.034 1.00846.05 C ATOM 61963 O6 G A 66 -831.716 -58.128 -12.421 1.00846.05 O ATOM 61964 N1 G A 66 -831.045 -60.147 -13.238 1.00846.05 N ATOM 61965 C2 G A 66 -831.255 -61.332 -13.900 1.00846.05 C ATOM 61966 N2 G A 66 -830.198 -62.152 -13.988 1.00846.05 N ATOM 61967 N3 G A 66 -832.413 -61.689 -14.430 1.00846.05 N ATOM 61968 C4 G A 66 -833.363 -60.747 -14.245 1.00846.05 C ATOM 61969 P C A 67 -838.215 -64.221 -12.179 1.00846.05 P ATOM 61970 O1P C A 67 -838.938 -65.516 -12.103 1.00846.05 O ATOM 61971 O2P C A 67 -838.895 -62.976 -11.739 1.00846.05 O ATOM 61972 O5* C A 67 -836.848 -64.361 -11.379 1.00846.05 O ATOM 61973 C5* C A 67 -835.854 -65.284 -11.807 1.00846.05 C ATOM 61974 C4* C A 67 -834.494 -64.900 -11.268 1.00846.05 C ATOM 61975 O4* C A 67 -834.032 -63.681 -11.907 1.00846.05 O ATOM 61976 C3* C A 67 -834.548 -64.587 -9.791 1.00846.05 C ATOM 61977 O3* C A 67 -834.341 -65.778 -9.037 1.00846.05 O ATOM 61978 C2* C A 67 -833.403 -63.597 -9.611 1.00846.05 C ATOM 61979 O2* C A 67 -832.155 -64.244 -9.461 1.00846.05 O ATOM 61980 C1* C A 67 -833.432 -62.837 -10.938 1.00846.05 C ATOM 61981 N1 C A 67 -834.209 -61.591 -10.845 1.00846.05 N ATOM 61982 C2 C A 67 -833.595 -60.452 -10.318 1.00846.05 C ATOM 61983 O2 C A 67 -832.410 -60.520 -9.962 1.00846.05 O ATOM 61984 N3 C A 67 -834.308 -59.306 -10.213 1.00846.05 N ATOM 61985 C4 C A 67 -835.580 -59.274 -10.608 1.00846.05 C ATOM 61986 N4 C A 67 -836.249 -58.125 -10.485 1.00846.05 N ATOM 61987 C5 C A 67 -836.229 -60.419 -11.152 1.00846.05 C ATOM 61988 C6 C A 67 -835.515 -61.547 -11.253 1.00846.05 C ATOM 61989 P A A 68 -835.564 -66.422 -8.211 1.00846.05 P ATOM 61990 O1P A A 68 -835.787 -67.791 -8.738 1.00846.05 O ATOM 61991 O2P A A 68 -836.685 -65.443 -8.220 1.00846.05 O ATOM 61992 O5* A A 68 -835.023 -66.544 -6.718 1.00846.05 O ATOM 61993 C5* A A 68 -834.078 -65.611 -6.194 1.00846.05 C ATOM 61994 C4* A A 68 -833.689 -65.999 -4.787 1.00846.05 C ATOM 61995 O4* A A 68 -834.855 -65.947 -3.936 1.00846.05 O ATOM 61996 C3* A A 68 -833.135 -67.408 -4.590 1.00846.05 C ATOM 61997 O3* A A 68 -831.742 -67.464 -4.874 1.00846.05 O ATOM 61998 C2* A A 68 -833.437 -67.692 -3.121 1.00846.05 C ATOM 61999 O2* A A 68 -832.439 -67.202 -2.248 1.00846.05 O ATOM 62000 C1* A A 68 -834.732 -66.899 -2.899 1.00846.05 C ATOM 62001 N9 A A 68 -835.956 -67.697 -2.881 1.00846.05 N ATOM 62002 C8 A A 68 -836.243 -68.805 -2.120 1.00846.05 C ATOM 62003 N7 A A 68 -837.422 -69.325 -2.363 1.00846.05 N ATOM 62004 C5 A A 68 -837.952 -68.498 -3.346 1.00846.05 C ATOM 62005 C6 A A 68 -839.174 -68.511 -4.040 1.00846.05 C ATOM 62006 N6 A A 68 -840.125 -69.430 -3.845 1.00846.05 N ATOM 62007 N1 A A 68 -839.389 -67.544 -4.955 1.00846.05 N ATOM 62008 C2 A A 68 -838.435 -66.628 -5.153 1.00846.05 C ATOM 62009 N3 A A 68 -837.245 -66.509 -4.568 1.00846.05 N ATOM 62010 C4 A A 68 -837.065 -67.489 -3.665 1.00846.05 C ATOM 62011 P G A 69 -830.950 -68.853 -4.768 1.00846.05 P ATOM 62012 O1P G A 69 -829.606 -68.640 -5.366 1.00846.05 O ATOM 62013 O2P G A 69 -831.817 -69.945 -5.276 1.00846.05 O ATOM 62014 O5* G A 69 -830.753 -69.048 -3.199 1.00846.05 O ATOM 62015 C5* G A 69 -829.658 -69.801 -2.687 1.00846.05 C ATOM 62016 C4* G A 69 -829.023 -69.079 -1.525 1.00846.05 C ATOM 62017 O4* G A 69 -828.247 -67.949 -2.009 1.00846.05 O ATOM 62018 C3* G A 69 -830.004 -68.488 -0.529 1.00846.05 C ATOM 62019 O3* G A 69 -830.415 -69.450 0.434 1.00846.05 O ATOM 62020 C2* G A 69 -829.217 -67.330 0.072 1.00846.05 C ATOM 62021 O2* G A 69 -828.337 -67.743 1.093 1.00846.05 O ATOM 62022 C1* G A 69 -828.403 -66.848 -1.130 1.00846.05 C ATOM 62023 N9 G A 69 -829.073 -65.775 -1.864 1.00846.05 N ATOM 62024 C8 G A 69 -829.760 -65.900 -3.047 1.00846.05 C ATOM 62025 N7 G A 69 -830.267 -64.774 -3.465 1.00846.05 N ATOM 62026 C5 G A 69 -829.891 -63.848 -2.506 1.00846.05 C ATOM 62027 C6 G A 69 -830.155 -62.453 -2.424 1.00846.05 C ATOM 62028 O6 G A 69 -830.793 -61.746 -3.207 1.00846.05 O ATOM 62029 N1 G A 69 -829.585 -61.892 -1.286 1.00846.05 N ATOM 62030 C2 G A 69 -828.856 -62.575 -0.346 1.00846.05 C ATOM 62031 N2 G A 69 -828.398 -61.843 0.683 1.00846.05 N ATOM 62032 N3 G A 69 -828.604 -63.876 -0.410 1.00846.05 N ATOM 62033 C4 G A 69 -829.147 -64.444 -1.507 1.00846.05 C ATOM 62034 P C A 70 -831.967 -69.558 0.839 1.00846.05 P ATOM 62035 O1P C A 70 -832.207 -70.923 1.365 1.00846.05 O ATOM 62036 O2P C A 70 -832.784 -69.052 -0.296 1.00846.05 O ATOM 62037 O5* C A 70 -832.104 -68.528 2.045 1.00846.05 O ATOM 62038 C5* C A 70 -831.565 -68.835 3.324 1.00846.05 C ATOM 62039 C4* C A 70 -831.499 -67.591 4.174 1.00846.05 C ATOM 62040 O4* C A 70 -830.672 -66.593 3.524 1.00846.05 O ATOM 62041 C3* C A 70 -832.796 -66.858 4.448 1.00846.05 C ATOM 62042 O3* C A 70 -833.552 -67.496 5.465 1.00846.05 O ATOM 62043 C2* C A 70 -832.314 -65.463 4.818 1.00846.05 C ATOM 62044 O2* C A 70 -831.877 -65.373 6.160 1.00846.05 O ATOM 62045 C1* C A 70 -831.119 -65.295 3.878 1.00846.05 C ATOM 62046 N1 C A 70 -831.493 -64.592 2.641 1.00846.05 N ATOM 62047 C2 C A 70 -831.453 -63.197 2.621 1.00846.05 C ATOM 62048 O2 C A 70 -831.070 -62.598 3.631 1.00846.05 O ATOM 62049 N3 C A 70 -831.828 -62.539 1.499 1.00846.05 N ATOM 62050 C4 C A 70 -832.225 -63.225 0.424 1.00846.05 C ATOM 62051 N4 C A 70 -832.600 -62.534 -0.656 1.00846.05 N ATOM 62052 C5 C A 70 -832.258 -64.650 0.412 1.00846.05 C ATOM 62053 C6 C A 70 -831.887 -65.286 1.531 1.00846.05 C ATOM 62054 P G A 71 -834.999 -66.912 5.847 1.00846.05 P ATOM 62055 O1P G A 71 -835.648 -67.886 6.759 1.00846.05 O ATOM 62056 O2P G A 71 -835.681 -66.520 4.586 1.00846.05 O ATOM 62057 O5* G A 71 -834.669 -65.589 6.667 1.00846.05 O ATOM 62058 C5* G A 71 -835.593 -64.507 6.710 1.00846.05 C ATOM 62059 C4* G A 71 -834.859 -63.198 6.619 1.00846.05 C ATOM 62060 O4* G A 71 -834.267 -63.067 5.298 1.00846.05 O ATOM 62061 C3* G A 71 -835.693 -61.946 6.778 1.00846.05 C ATOM 62062 O3* G A 71 -835.886 -61.647 8.155 1.00846.05 O ATOM 62063 C2* G A 71 -834.864 -60.896 6.056 1.00846.05 C ATOM 62064 O2* G A 71 -833.808 -60.411 6.858 1.00846.05 O ATOM 62065 C1* G A 71 -834.291 -61.710 4.894 1.00846.05 C ATOM 62066 N9 G A 71 -835.133 -61.621 3.703 1.00846.05 N ATOM 62067 C8 G A 71 -835.545 -62.661 2.906 1.00846.05 C ATOM 62068 N7 G A 71 -836.322 -62.281 1.931 1.00846.05 N ATOM 62069 C5 G A 71 -836.427 -60.905 2.090 1.00846.05 C ATOM 62070 C6 G A 71 -837.147 -59.945 1.332 1.00846.05 C ATOM 62071 O6 G A 71 -837.866 -60.128 0.343 1.00846.05 O ATOM 62072 N1 G A 71 -836.973 -58.662 1.835 1.00846.05 N ATOM 62073 C2 G A 71 -836.208 -58.339 2.928 1.00846.05 C ATOM 62074 N2 G A 71 -836.157 -57.040 3.252 1.00846.05 N ATOM 62075 N3 G A 71 -835.537 -59.224 3.646 1.00846.05 N ATOM 62076 C4 G A 71 -835.690 -60.480 3.173 1.00846.05 C ATOM 62077 P C A 72 -836.612 -60.275 8.576 1.00846.05 P ATOM 62078 O1P C A 72 -835.604 -59.190 8.484 1.00846.05 O ATOM 62079 O2P C A 72 -837.324 -60.511 9.859 1.00846.05 O ATOM 62080 O5* C A 72 -837.703 -60.052 7.437 1.00846.05 O ATOM 62081 C5* C A 72 -838.153 -58.742 7.102 1.00846.05 C ATOM 62082 C4* C A 72 -839.334 -58.818 6.161 1.00846.05 C ATOM 62083 O4* C A 72 -838.926 -59.497 4.947 1.00846.05 O ATOM 62084 C3* C A 72 -840.573 -59.605 6.582 1.00846.05 C ATOM 62085 O3* C A 72 -841.427 -58.807 7.395 1.00846.05 O ATOM 62086 C2* C A 72 -841.251 -59.957 5.259 1.00846.05 C ATOM 62087 O2* C A 72 -842.133 -58.945 4.821 1.00846.05 O ATOM 62088 C1* C A 72 -840.062 -60.039 4.298 1.00846.05 C ATOM 62089 N1 C A 72 -839.723 -61.391 3.828 1.00846.05 N ATOM 62090 C2 C A 72 -839.858 -61.688 2.467 1.00846.05 C ATOM 62091 O2 C A 72 -840.283 -60.809 1.702 1.00846.05 O ATOM 62092 N3 C A 72 -839.528 -62.924 2.024 1.00846.05 N ATOM 62093 C4 C A 72 -839.080 -63.842 2.884 1.00846.05 C ATOM 62094 N4 C A 72 -838.761 -65.044 2.402 1.00846.05 N ATOM 62095 C5 C A 72 -838.934 -63.565 4.275 1.00846.05 C ATOM 62096 C6 C A 72 -839.264 -62.342 4.698 1.00846.05 C ATOM 62097 P C A 73 -842.712 -59.464 8.106 1.00846.05 P ATOM 62098 O1P C A 73 -843.266 -58.422 9.009 1.00846.05 O ATOM 62099 O2P C A 73 -842.323 -60.784 8.661 1.00846.05 O ATOM 62100 O5* C A 73 -843.759 -59.691 6.922 1.00846.05 O ATOM 62101 C5* C A 73 -844.898 -58.846 6.790 1.00846.05 C ATOM 62102 C4* C A 73 -846.056 -59.584 6.142 1.00846.05 C ATOM 62103 O4* C A 73 -845.738 -59.825 4.746 1.00846.05 O ATOM 62104 C3* C A 73 -846.380 -60.959 6.726 1.00846.05 C ATOM 62105 O3* C A 73 -847.298 -60.924 7.835 1.00846.05 O ATOM 62106 C2* C A 73 -847.046 -61.657 5.540 1.00846.05 C ATOM 62107 O2* C A 73 -848.416 -61.326 5.434 1.00846.05 O ATOM 62108 C1* C A 73 -846.306 -61.056 4.344 1.00846.05 C ATOM 62109 N1 C A 73 -845.256 -61.928 3.788 1.00846.05 N ATOM 62110 C2 C A 73 -845.643 -62.987 2.961 1.00846.05 C ATOM 62111 O2 C A 73 -846.848 -63.135 2.703 1.00846.05 O ATOM 62112 N3 C A 73 -844.703 -63.823 2.465 1.00846.05 N ATOM 62113 C4 C A 73 -843.418 -63.627 2.762 1.00846.05 C ATOM 62114 N4 C A 73 -842.527 -64.488 2.259 1.00846.05 N ATOM 62115 C5 C A 73 -842.989 -62.548 3.590 1.00846.05 C ATOM 62116 C6 C A 73 -843.934 -61.727 4.074 1.00846.05 C ATOM 62117 P A A 74 -847.279 -62.096 8.958 1.00846.05 P ATOM 62118 O1P A A 74 -848.470 -61.910 9.829 1.00846.05 O ATOM 62119 O2P A A 74 -845.929 -62.135 9.576 1.00846.05 O ATOM 62120 O5* A A 74 -847.487 -63.467 8.165 1.00846.05 O ATOM 62121 C5* A A 74 -848.738 -63.808 7.550 1.00846.05 C ATOM 62122 C4* A A 74 -848.587 -65.085 6.744 1.00846.05 C ATOM 62123 O4* A A 74 -847.609 -64.820 5.708 1.00846.05 O ATOM 62124 C3* A A 74 -848.021 -66.292 7.476 1.00846.05 C ATOM 62125 O3* A A 74 -849.059 -67.021 8.136 1.00846.05 O ATOM 62126 C2* A A 74 -847.370 -67.097 6.356 1.00846.05 C ATOM 62127 O2* A A 74 -848.286 -67.907 5.652 1.00846.05 O ATOM 62128 C1* A A 74 -846.857 -65.986 5.436 1.00846.05 C ATOM 62129 N9 A A 74 -845.450 -65.650 5.657 1.00846.05 N ATOM 62130 C8 A A 74 -844.946 -64.424 6.017 1.00846.05 C ATOM 62131 N7 A A 74 -843.643 -64.401 6.132 1.00846.05 N ATOM 62132 C5 A A 74 -843.257 -65.704 5.835 1.00846.05 C ATOM 62133 C6 A A 74 -842.004 -66.327 5.784 1.00846.05 C ATOM 62134 N6 A A 74 -840.854 -65.698 6.037 1.00846.05 N ATOM 62135 N1 A A 74 -841.966 -67.638 5.456 1.00846.05 N ATOM 62136 C2 A A 74 -843.122 -68.265 5.200 1.00846.05 C ATOM 62137 N3 A A 74 -844.364 -67.788 5.217 1.00846.05 N ATOM 62138 C4 A A 74 -844.364 -66.482 5.544 1.00846.05 C ATOM 62139 P A A 75 -848.893 -67.435 9.687 1.00846.05 P ATOM 62140 O1P A A 75 -847.796 -66.599 10.240 1.00846.05 O ATOM 62141 O2P A A 75 -848.801 -68.915 9.776 1.00846.05 O ATOM 62142 O5* A A 75 -850.255 -66.974 10.376 1.00846.05 O ATOM 62143 C5* A A 75 -851.340 -67.886 10.557 1.00846.05 C ATOM 62144 C4* A A 75 -852.452 -67.564 9.581 1.00846.05 C ATOM 62145 O4* A A 75 -851.943 -67.671 8.228 1.00846.05 O ATOM 62146 C3* A A 75 -853.673 -68.487 9.627 1.00846.05 C ATOM 62147 O3* A A 75 -854.633 -68.039 10.585 1.00846.05 O ATOM 62148 C2* A A 75 -854.228 -68.384 8.209 1.00846.05 C ATOM 62149 O2* A A 75 -855.076 -67.268 8.040 1.00846.05 O ATOM 62150 C1* A A 75 -852.955 -68.175 7.380 1.00846.05 C ATOM 62151 N9 A A 75 -852.461 -69.361 6.679 1.00846.05 N ATOM 62152 C8 A A 75 -852.203 -70.628 7.149 1.00846.05 C ATOM 62153 N7 A A 75 -851.711 -71.441 6.234 1.00846.05 N ATOM 62154 C5 A A 75 -851.632 -70.658 5.105 1.00846.05 C ATOM 62155 C6 A A 75 -851.152 -70.922 3.826 1.00846.05 C ATOM 62156 N6 A A 75 -850.557 -72.064 3.487 1.00846.05 N ATOM 62157 N1 A A 75 -851.267 -69.950 2.900 1.00846.05 N ATOM 62158 C2 A A 75 -851.780 -68.774 3.271 1.00846.05 C ATOM 62159 N3 A A 75 -852.225 -68.386 4.461 1.00846.05 N ATOM 62160 C4 A A 75 -852.124 -69.387 5.348 1.00846.05 C ATOM 62161 P U A 76 -855.170 -69.059 11.712 1.00846.05 P ATOM 62162 O1P U A 76 -855.131 -68.353 13.017 1.00846.05 O ATOM 62163 O2P U A 76 -854.449 -70.349 11.555 1.00846.05 O ATOM 62164 O5* U A 76 -856.701 -69.300 11.339 1.00846.05 O ATOM 62165 C5* U A 76 -857.754 -68.768 12.148 1.00846.05 C ATOM 62166 C4* U A 76 -858.972 -69.665 12.088 1.00846.05 C ATOM 62167 O4* U A 76 -859.465 -69.723 10.724 1.00846.05 O ATOM 62168 C3* U A 76 -858.708 -71.111 12.451 1.00846.05 C ATOM 62169 O3* U A 76 -858.748 -71.311 13.856 1.00846.05 O ATOM 62170 C2* U A 76 -859.819 -71.853 11.718 1.00846.05 C ATOM 62171 O2* U A 76 -861.048 -71.847 12.416 1.00846.05 O ATOM 62172 C1* U A 76 -859.942 -71.025 10.440 1.00846.05 C ATOM 62173 N1 U A 76 -859.063 -71.567 9.404 1.00846.05 N ATOM 62174 C2 U A 76 -859.397 -72.758 8.822 1.00846.05 C ATOM 62175 O2 U A 76 -860.413 -73.380 9.092 1.00846.05 O ATOM 62176 N3 U A 76 -858.491 -73.196 7.898 1.00846.05 N ATOM 62177 C4 U A 76 -857.321 -72.572 7.500 1.00846.05 C ATOM 62178 O4 U A 76 -856.601 -73.108 6.653 1.00846.05 O ATOM 62179 C5 U A 76 -857.067 -71.345 8.139 1.00846.05 C ATOM 62180 C6 U A 76 -857.923 -70.893 9.044 1.00846.05 C ATOM 62181 P G A 77 -857.689 -72.307 14.541 1.00846.05 P ATOM 62182 O1P G A 77 -858.316 -72.851 15.772 1.00846.05 O ATOM 62183 O2P G A 77 -856.388 -71.599 14.631 1.00846.05 O ATOM 62184 O5* G A 77 -857.537 -73.492 13.487 1.00846.05 O ATOM 62185 C5* G A 77 -858.534 -74.503 13.363 1.00846.05 C ATOM 62186 C4* G A 77 -857.960 -75.715 12.668 1.00846.05 C ATOM 62187 O4* G A 77 -857.418 -75.317 11.381 1.00846.05 O ATOM 62188 C3* G A 77 -856.797 -76.345 13.408 1.00846.05 C ATOM 62189 O3* G A 77 -857.262 -77.292 14.367 1.00846.05 O ATOM 62190 C2* G A 77 -855.981 -76.982 12.289 1.00846.05 C ATOM 62191 O2* G A 77 -856.475 -78.253 11.915 1.00846.05 O ATOM 62192 C1* G A 77 -856.192 -75.986 11.147 1.00846.05 C ATOM 62193 N9 G A 77 -855.157 -74.960 11.064 1.00846.05 N ATOM 62194 C8 G A 77 -855.367 -73.606 10.960 1.00846.05 C ATOM 62195 N7 G A 77 -854.261 -72.920 10.907 1.00846.05 N ATOM 62196 C5 G A 77 -853.256 -73.875 10.980 1.00846.05 C ATOM 62197 C6 G A 77 -851.849 -73.720 10.969 1.00846.05 C ATOM 62198 O6 G A 77 -851.189 -72.676 10.893 1.00846.05 O ATOM 62199 N1 G A 77 -851.201 -74.948 11.064 1.00846.05 N ATOM 62200 C2 G A 77 -851.827 -76.165 11.159 1.00846.05 C ATOM 62201 N2 G A 77 -851.023 -77.237 11.246 1.00846.05 N ATOM 62202 N3 G A 77 -853.142 -76.323 11.170 1.00846.05 N ATOM 62203 C4 G A 77 -853.790 -75.142 11.079 1.00846.05 C ATOM 62204 P A A 78 -857.436 -76.854 15.902 1.00846.05 P ATOM 62205 O1P A A 78 -858.717 -77.418 16.390 1.00846.05 O ATOM 62206 O2P A A 78 -857.193 -75.391 15.995 1.00846.05 O ATOM 62207 O5* A A 78 -856.241 -77.596 16.650 1.00846.05 O ATOM 62208 C5* A A 78 -856.389 -78.936 17.120 1.00846.05 C ATOM 62209 C4* A A 78 -855.042 -79.488 17.522 1.00846.05 C ATOM 62210 O4* A A 78 -854.129 -79.394 16.399 1.00846.05 O ATOM 62211 C3* A A 78 -854.355 -78.746 18.662 1.00846.05 C ATOM 62212 O3* A A 78 -854.779 -79.247 19.927 1.00846.05 O ATOM 62213 C2* A A 78 -852.877 -78.998 18.387 1.00846.05 C ATOM 62214 O2* A A 78 -852.425 -80.233 18.905 1.00846.05 O ATOM 62215 C1* A A 78 -852.839 -79.036 16.856 1.00846.05 C ATOM 62216 N9 A A 78 -852.481 -77.770 16.213 1.00846.05 N ATOM 62217 C8 A A 78 -853.204 -76.602 16.232 1.00846.05 C ATOM 62218 N7 A A 78 -852.661 -75.632 15.536 1.00846.05 N ATOM 62219 C5 A A 78 -851.499 -76.197 15.029 1.00846.05 C ATOM 62220 C6 A A 78 -850.486 -75.687 14.200 1.00846.05 C ATOM 62221 N6 A A 78 -850.483 -74.443 13.710 1.00846.05 N ATOM 62222 N1 A A 78 -849.462 -76.506 13.881 1.00846.05 N ATOM 62223 C2 A A 78 -849.466 -77.754 14.367 1.00846.05 C ATOM 62224 N3 A A 78 -850.367 -78.352 15.149 1.00846.05 N ATOM 62225 C4 A A 78 -851.368 -77.511 15.447 1.00846.05 C ATOM 62226 P U A 79 -855.008 -78.230 21.150 1.00846.05 P ATOM 62227 O1P U A 79 -855.435 -79.045 22.315 1.00846.05 O ATOM 62228 O2P U A 79 -855.868 -77.114 20.679 1.00846.05 O ATOM 62229 O5* U A 79 -853.551 -77.653 21.442 1.00846.05 O ATOM 62230 C5* U A 79 -852.477 -78.524 21.784 1.00846.05 C ATOM 62231 C4* U A 79 -851.207 -77.733 22.006 1.00846.05 C ATOM 62232 O4* U A 79 -850.842 -77.022 20.793 1.00846.05 O ATOM 62233 C3* U A 79 -851.251 -76.647 23.056 1.00846.05 C ATOM 62234 O3* U A 79 -851.053 -77.212 24.348 1.00846.05 O ATOM 62235 C2* U A 79 -850.105 -75.726 22.651 1.00846.05 C ATOM 62236 O2* U A 79 -848.862 -76.220 23.110 1.00846.05 O ATOM 62237 C1* U A 79 -850.141 -75.826 21.123 1.00846.05 C ATOM 62238 N1 U A 79 -850.802 -74.711 20.420 1.00846.05 N ATOM 62239 C2 U A 79 -850.064 -73.591 20.000 1.00846.05 C ATOM 62240 O2 U A 79 -848.899 -73.397 20.256 1.00846.05 O ATOM 62241 N3 U A 79 -850.778 -72.670 19.277 1.00846.05 N ATOM 62242 C4 U A 79 -852.108 -72.711 18.967 1.00846.05 C ATOM 62243 O4 U A 79 -852.597 -71.791 18.313 1.00846.05 O ATOM 62244 C5 U A 79 -852.803 -73.850 19.468 1.00846.05 C ATOM 62245 C6 U A 79 -852.144 -74.791 20.152 1.00846.05 C ATOM 62246 P A A 80 -851.610 -76.443 25.645 1.00846.05 P ATOM 62247 O1P A A 80 -851.118 -77.176 26.840 1.00846.05 O ATOM 62248 O2P A A 80 -853.068 -76.231 25.463 1.00846.05 O ATOM 62249 O5* A A 80 -850.877 -75.027 25.596 1.00846.05 O ATOM 62250 C5* A A 80 -849.523 -74.907 26.015 1.00846.05 C ATOM 62251 C4* A A 80 -848.976 -73.530 25.707 1.00846.05 C ATOM 62252 O4* A A 80 -849.045 -73.258 24.284 1.00846.05 O ATOM 62253 C3* A A 80 -849.685 -72.373 26.393 1.00846.05 C ATOM 62254 O3* A A 80 -849.173 -72.123 27.695 1.00846.05 O ATOM 62255 C2* A A 80 -849.335 -71.208 25.470 1.00846.05 C ATOM 62256 O2* A A 80 -848.059 -70.667 25.746 1.00846.05 O ATOM 62257 C1* A A 80 -849.309 -71.879 24.096 1.00846.05 C ATOM 62258 N9 A A 80 -850.561 -71.702 23.364 1.00846.05 N ATOM 62259 C8 A A 80 -851.504 -72.623 22.984 1.00846.05 C ATOM 62260 N7 A A 80 -852.531 -72.101 22.352 1.00846.05 N ATOM 62261 C5 A A 80 -852.235 -70.743 22.308 1.00846.05 C ATOM 62262 C6 A A 80 -852.917 -69.636 21.764 1.00846.05 C ATOM 62263 N6 A A 80 -854.094 -69.722 21.144 1.00846.05 N ATOM 62264 N1 A A 80 -852.341 -68.420 21.886 1.00846.05 N ATOM 62265 C2 A A 80 -851.161 -68.330 22.509 1.00846.05 C ATOM 62266 N3 A A 80 -850.425 -69.290 23.059 1.00846.05 N ATOM 62267 C4 A A 80 -851.025 -70.487 22.920 1.00846.05 C ATOM 62268 P C A 81 -850.165 -71.611 28.855 1.00846.05 P ATOM 62269 O1P C A 81 -849.316 -71.080 29.947 1.00846.05 O ATOM 62270 O2P C A 81 -851.148 -72.688 29.142 1.00846.05 O ATOM 62271 O5* C A 81 -850.947 -70.377 28.208 1.00846.05 O ATOM 62272 C5* C A 81 -850.477 -69.044 28.385 1.00846.05 C ATOM 62273 C4* C A 81 -851.567 -68.048 28.039 1.00846.05 C ATOM 62274 O4* C A 81 -851.909 -68.195 26.637 1.00846.05 O ATOM 62275 C3* C A 81 -852.927 -68.159 28.713 1.00846.05 C ATOM 62276 O3* C A 81 -852.927 -67.547 29.999 1.00846.05 O ATOM 62277 C2* C A 81 -853.855 -67.404 27.766 1.00846.05 C ATOM 62278 O2* C A 81 -853.834 -66.018 28.025 1.00846.05 O ATOM 62279 C1* C A 81 -853.206 -67.670 26.406 1.00846.05 C ATOM 62280 N1 C A 81 -853.959 -68.631 25.583 1.00846.05 N ATOM 62281 C2 C A 81 -854.751 -68.150 24.535 1.00846.05 C ATOM 62282 O2 C A 81 -854.804 -66.928 24.330 1.00846.05 O ATOM 62283 N3 C A 81 -855.446 -69.030 23.775 1.00846.05 N ATOM 62284 C4 C A 81 -855.365 -70.338 24.028 1.00846.05 C ATOM 62285 N4 C A 81 -856.058 -71.169 23.248 1.00846.05 N ATOM 62286 C5 C A 81 -854.567 -70.852 25.088 1.00846.05 C ATOM 62287 C6 C A 81 -853.886 -69.974 25.834 1.00846.05 C ATOM 62288 P U A 82 -854.068 -67.930 31.070 1.00846.05 P ATOM 62289 O1P U A 82 -853.790 -67.153 32.306 1.00846.05 O ATOM 62290 O2P U A 82 -854.170 -69.412 31.143 1.00846.05 O ATOM 62291 O5* U A 82 -855.420 -67.371 30.441 1.00846.05 O ATOM 62292 C5* U A 82 -855.749 -65.986 30.523 1.00846.05 C ATOM 62293 C4* U A 82 -857.049 -65.713 29.802 1.00846.05 C ATOM 62294 O4* U A 82 -856.955 -66.215 28.443 1.00846.05 O ATOM 62295 C3* U A 82 -858.312 -66.359 30.322 1.00846.05 C ATOM 62296 O3* U A 82 -858.848 -65.577 31.387 1.00846.05 O ATOM 62297 C2* U A 82 -859.239 -66.358 29.113 1.00846.05 C ATOM 62298 O2* U A 82 -859.941 -65.141 28.968 1.00846.05 O ATOM 62299 C1* U A 82 -858.250 -66.517 27.956 1.00846.05 C ATOM 62300 N1 U A 82 -858.231 -67.878 27.399 1.00846.05 N ATOM 62301 C2 U A 82 -858.898 -68.086 26.205 1.00846.05 C ATOM 62302 O2 U A 82 -859.484 -67.199 25.616 1.00846.05 O ATOM 62303 N3 U A 82 -858.849 -69.372 25.728 1.00846.05 N ATOM 62304 C4 U A 82 -858.215 -70.453 26.315 1.00846.05 C ATOM 62305 O4 U A 82 -858.254 -71.551 25.765 1.00846.05 O ATOM 62306 C5 U A 82 -857.551 -70.152 27.549 1.00846.05 C ATOM 62307 C6 U A 82 -857.581 -68.907 28.036 1.00846.05 C ATOM 62308 P C A 83 -860.170 -66.077 32.154 1.00846.05 P ATOM 62309 O1P C A 83 -860.013 -65.721 33.587 1.00846.05 O ATOM 62310 O2P C A 83 -860.420 -67.493 31.774 1.00846.05 O ATOM 62311 O5* C A 83 -861.333 -65.180 31.540 1.00846.05 O ATOM 62312 C5* C A 83 -861.484 -63.819 31.935 1.00846.05 C ATOM 62313 C4* C A 83 -862.935 -63.404 31.875 1.00846.05 C ATOM 62314 O4* C A 83 -863.403 -63.431 30.500 1.00846.05 O ATOM 62315 C3* C A 83 -863.912 -64.300 32.632 1.00846.05 C ATOM 62316 O3* C A 83 -864.003 -63.992 34.015 1.00846.05 O ATOM 62317 C2* C A 83 -865.227 -64.034 31.911 1.00846.05 C ATOM 62318 O2* C A 83 -865.868 -62.856 32.361 1.00846.05 O ATOM 62319 C1* C A 83 -864.761 -63.840 30.470 1.00846.05 C ATOM 62320 N1 C A 83 -864.863 -65.071 29.671 1.00846.05 N ATOM 62321 C2 C A 83 -866.066 -65.336 29.004 1.00846.05 C ATOM 62322 O2 C A 83 -866.995 -64.522 29.096 1.00846.05 O ATOM 62323 N3 C A 83 -866.181 -66.475 28.280 1.00846.05 N ATOM 62324 C4 C A 83 -865.153 -67.324 28.206 1.00846.05 C ATOM 62325 N4 C A 83 -865.316 -68.438 27.484 1.00846.05 N ATOM 62326 C5 C A 83 -863.919 -67.074 28.869 1.00846.05 C ATOM 62327 C6 C A 83 -863.817 -65.948 29.585 1.00846.05 C ATOM 62328 P G A 84 -863.918 -65.178 35.094 1.00846.05 P ATOM 62329 O1P G A 84 -864.414 -64.648 36.392 1.00846.05 O ATOM 62330 O2P G A 84 -862.563 -65.779 35.020 1.00846.05 O ATOM 62331 O5* G A 84 -864.969 -66.251 34.564 1.00846.05 O ATOM 62332 C5* G A 84 -866.365 -65.981 34.601 1.00846.05 C ATOM 62333 C4* G A 84 -867.152 -67.192 34.160 1.00846.05 C ATOM 62334 O4* G A 84 -866.824 -67.549 32.789 1.00846.05 O ATOM 62335 C3* G A 84 -866.956 -68.528 34.867 1.00846.05 C ATOM 62336 O3* G A 84 -867.627 -68.554 36.120 1.00846.05 O ATOM 62337 C2* G A 84 -867.514 -69.554 33.884 1.00846.05 C ATOM 62338 O2* G A 84 -868.903 -69.758 34.032 1.00846.05 O ATOM 62339 C1* G A 84 -867.242 -68.881 32.536 1.00846.05 C ATOM 62340 N9 G A 84 -866.203 -69.559 31.766 1.00846.05 N ATOM 62341 C8 G A 84 -864.954 -69.078 31.462 1.00846.05 C ATOM 62342 N7 G A 84 -864.232 -69.922 30.777 1.00846.05 N ATOM 62343 C5 G A 84 -865.055 -71.028 30.612 1.00846.05 C ATOM 62344 C6 G A 84 -864.815 -72.264 29.951 1.00846.05 C ATOM 62345 O6 G A 84 -863.796 -72.638 29.360 1.00846.05 O ATOM 62346 N1 G A 84 -865.922 -73.106 30.023 1.00846.05 N ATOM 62347 C2 G A 84 -867.104 -72.802 30.649 1.00846.05 C ATOM 62348 N2 G A 84 -868.050 -73.755 30.612 1.00846.05 N ATOM 62349 N3 G A 84 -867.341 -71.655 31.271 1.00846.05 N ATOM 62350 C4 G A 84 -866.279 -70.820 31.211 1.00846.05 C ATOM 62351 P G A 85 -867.359 -69.765 37.139 1.00846.05 P ATOM 62352 O1P G A 85 -867.982 -69.419 38.442 1.00846.05 O ATOM 62353 O2P G A 85 -865.917 -70.122 37.089 1.00846.05 O ATOM 62354 O5* G A 85 -868.189 -70.965 36.504 1.00846.05 O ATOM 62355 C5* G A 85 -869.581 -71.093 36.758 1.00846.05 C ATOM 62356 C4* G A 85 -870.071 -72.440 36.297 1.00846.05 C ATOM 62357 O4* G A 85 -869.814 -72.616 34.878 1.00846.05 O ATOM 62358 C3* G A 85 -869.380 -73.609 36.963 1.00846.05 C ATOM 62359 O3* G A 85 -869.980 -73.890 38.213 1.00846.05 O ATOM 62360 C2* G A 85 -869.544 -74.724 35.943 1.00846.05 C ATOM 62361 O2* G A 85 -870.793 -75.373 36.017 1.00846.05 O ATOM 62362 C1* G A 85 -869.425 -73.957 34.629 1.00846.05 C ATOM 62363 N9 G A 85 -868.036 -73.974 34.189 1.00846.05 N ATOM 62364 C8 G A 85 -867.129 -72.946 34.253 1.00846.05 C ATOM 62365 N7 G A 85 -865.942 -73.285 33.831 1.00846.05 N ATOM 62366 C5 G A 85 -866.078 -74.613 33.455 1.00846.05 C ATOM 62367 C6 G A 85 -865.122 -75.523 32.930 1.00846.05 C ATOM 62368 O6 G A 85 -863.925 -75.334 32.687 1.00846.05 O ATOM 62369 N1 G A 85 -865.687 -76.773 32.690 1.00846.05 N ATOM 62370 C2 G A 85 -866.997 -77.106 32.925 1.00846.05 C ATOM 62371 N2 G A 85 -867.353 -78.362 32.626 1.00846.05 N ATOM 62372 N3 G A 85 -867.895 -76.268 33.419 1.00846.05 N ATOM 62373 C4 G A 85 -867.367 -75.048 33.659 1.00846.05 C ATOM 62374 P A A 86 -869.055 -73.934 39.526 1.00846.05 P ATOM 62375 O1P A A 86 -869.831 -73.388 40.665 1.00846.05 O ATOM 62376 O2P A A 86 -867.742 -73.332 39.173 1.00846.05 O ATOM 62377 O5* A A 86 -868.838 -75.493 39.760 1.00846.05 O ATOM 62378 C5* A A 86 -869.845 -76.271 40.397 1.00846.05 C ATOM 62379 C4* A A 86 -869.593 -77.741 40.172 1.00846.05 C ATOM 62380 O4* A A 86 -869.503 -78.034 38.756 1.00846.05 O ATOM 62381 C3* A A 86 -868.317 -78.285 40.783 1.00846.05 C ATOM 62382 O3* A A 86 -868.547 -78.631 42.140 1.00846.05 O ATOM 62383 C2* A A 86 -868.006 -79.493 39.903 1.00846.05 C ATOM 62384 O2* A A 86 -868.714 -80.650 40.299 1.00846.05 O ATOM 62385 C1* A A 86 -868.511 -79.026 38.533 1.00846.05 C ATOM 62386 N9 A A 86 -867.454 -78.439 37.708 1.00846.05 N ATOM 62387 C8 A A 86 -867.072 -77.124 37.637 1.00846.05 C ATOM 62388 N7 A A 86 -866.084 -76.906 36.802 1.00846.05 N ATOM 62389 C5 A A 86 -865.795 -78.162 36.287 1.00846.05 C ATOM 62390 C6 A A 86 -864.849 -78.609 35.347 1.00846.05 C ATOM 62391 N6 A A 86 -863.978 -77.803 34.733 1.00846.05 N ATOM 62392 N1 A A 86 -864.827 -79.926 35.059 1.00846.05 N ATOM 62393 C2 A A 86 -865.697 -80.734 35.674 1.00846.05 C ATOM 62394 N3 A A 86 -866.635 -80.435 36.568 1.00846.05 N ATOM 62395 C4 A A 86 -866.633 -79.115 36.838 1.00846.05 C ATOM 62396 P C A 87 -867.303 -79.025 43.074 1.00846.05 P ATOM 62397 O1P C A 87 -867.774 -79.001 44.481 1.00846.05 O ATOM 62398 O2P C A 87 -866.140 -78.192 42.673 1.00846.05 O ATOM 62399 O5* C A 87 -867.015 -80.537 42.657 1.00846.05 O ATOM 62400 C5* C A 87 -865.747 -81.143 42.877 1.00846.05 C ATOM 62401 C4* C A 87 -865.314 -81.879 41.631 1.00846.05 C ATOM 62402 O4* C A 87 -865.508 -81.017 40.479 1.00846.05 O ATOM 62403 C3* C A 87 -863.847 -82.265 41.587 1.00846.05 C ATOM 62404 O3* C A 87 -863.614 -83.521 42.219 1.00846.05 O ATOM 62405 C2* C A 87 -863.564 -82.337 40.090 1.00846.05 C ATOM 62406 O2* C A 87 -863.955 -83.573 39.530 1.00846.05 O ATOM 62407 C1* C A 87 -864.458 -81.222 39.548 1.00846.05 C ATOM 62408 N1 C A 87 -863.745 -79.947 39.362 1.00846.05 N ATOM 62409 C2 C A 87 -862.868 -79.820 38.279 1.00846.05 C ATOM 62410 O2 C A 87 -862.730 -80.772 37.500 1.00846.05 O ATOM 62411 N3 C A 87 -862.193 -78.660 38.103 1.00846.05 N ATOM 62412 C4 C A 87 -862.369 -77.655 38.965 1.00846.05 C ATOM 62413 N4 C A 87 -861.674 -76.531 38.759 1.00846.05 N ATOM 62414 C5 C A 87 -863.257 -77.756 40.075 1.00846.05 C ATOM 62415 C6 C A 87 -863.918 -78.909 40.234 1.00846.05 C ATOM 62416 P C A 88 -862.487 -83.637 43.356 1.00846.05 P ATOM 62417 O1P C A 88 -862.914 -84.692 44.310 1.00846.05 O ATOM 62418 O2P C A 88 -862.198 -82.270 43.858 1.00846.05 O ATOM 62419 O5* C A 88 -861.195 -84.162 42.580 1.00846.05 O ATOM 62420 C5* C A 88 -861.114 -85.506 42.111 1.00846.05 C ATOM 62421 C4* C A 88 -859.841 -85.701 41.320 1.00846.05 C ATOM 62422 O4* C A 88 -859.804 -84.738 40.236 1.00846.05 O ATOM 62423 C3* C A 88 -858.537 -85.503 42.071 1.00846.05 C ATOM 62424 O3* C A 88 -858.175 -86.750 42.657 1.00846.05 O ATOM 62425 C2* C A 88 -857.566 -85.076 40.979 1.00846.05 C ATOM 62426 O2* C A 88 -857.010 -86.175 40.285 1.00846.05 O ATOM 62427 C1* C A 88 -858.480 -84.284 40.035 1.00846.05 C ATOM 62428 N1 C A 88 -858.467 -82.836 40.287 1.00846.05 N ATOM 62429 C2 C A 88 -857.258 -82.134 40.206 1.00846.05 C ATOM 62430 O2 C A 88 -856.222 -82.745 39.916 1.00846.05 O ATOM 62431 N3 C A 88 -857.251 -80.800 40.445 1.00846.05 N ATOM 62432 C4 C A 88 -858.387 -80.172 40.753 1.00846.05 C ATOM 62433 N4 C A 88 -858.331 -78.860 40.988 1.00846.05 N ATOM 62434 C5 C A 88 -859.631 -80.860 40.837 1.00846.05 C ATOM 62435 C6 C A 88 -859.625 -82.178 40.598 1.00846.05 C ATOM 62436 P G A 89 -856.851 -86.851 43.569 1.00846.05 P ATOM 62437 O1P G A 89 -855.833 -87.596 42.785 1.00846.05 O ATOM 62438 O2P G A 89 -857.250 -87.341 44.912 1.00846.05 O ATOM 62439 O5* G A 89 -856.359 -85.339 43.708 1.00846.05 O ATOM 62440 C5* G A 89 -855.084 -84.944 43.206 1.00846.05 C ATOM 62441 C4* G A 89 -854.831 -83.482 43.502 1.00846.05 C ATOM 62442 O4* G A 89 -855.788 -82.672 42.771 1.00846.05 O ATOM 62443 C3* G A 89 -855.038 -83.033 44.941 1.00846.05 C ATOM 62444 O3* G A 89 -853.948 -83.331 45.805 1.00846.05 O ATOM 62445 C2* G A 89 -855.254 -81.532 44.790 1.00846.05 C ATOM 62446 O2* G A 89 -854.042 -80.821 44.663 1.00846.05 O ATOM 62447 C1* G A 89 -856.032 -81.466 43.477 1.00846.05 C ATOM 62448 N9 G A 89 -857.468 -81.375 43.734 1.00846.05 N ATOM 62449 C8 G A 89 -858.384 -82.395 43.706 1.00846.05 C ATOM 62450 N7 G A 89 -859.587 -82.006 44.028 1.00846.05 N ATOM 62451 C5 G A 89 -859.460 -80.647 44.273 1.00846.05 C ATOM 62452 C6 G A 89 -860.425 -79.691 44.673 1.00846.05 C ATOM 62453 O6 G A 89 -861.628 -79.854 44.899 1.00846.05 O ATOM 62454 N1 G A 89 -859.864 -78.425 44.806 1.00846.05 N ATOM 62455 C2 G A 89 -858.542 -78.116 44.587 1.00846.05 C ATOM 62456 N2 G A 89 -858.199 -76.831 44.761 1.00846.05 N ATOM 62457 N3 G A 89 -857.632 -79.001 44.222 1.00846.05 N ATOM 62458 C4 G A 89 -858.154 -80.238 44.084 1.00846.05 C ATOM 62459 P C A 90 -854.225 -83.679 47.353 1.00846.05 P ATOM 62460 O1P C A 90 -853.304 -84.779 47.735 1.00846.05 O ATOM 62461 O2P C A 90 -855.689 -83.849 47.538 1.00846.05 O ATOM 62462 O5* C A 90 -853.775 -82.374 48.153 1.00846.05 O ATOM 62463 C5* C A 90 -854.217 -81.080 47.755 1.00846.05 C ATOM 62464 C4* C A 90 -853.078 -80.088 47.834 1.00846.05 C ATOM 62465 O4* C A 90 -851.858 -80.687 47.325 1.00846.05 O ATOM 62466 C3* C A 90 -853.172 -78.846 46.964 1.00846.05 C ATOM 62467 O3* C A 90 -854.030 -77.876 47.546 1.00846.05 O ATOM 62468 C2* C A 90 -851.734 -78.355 46.854 1.00846.05 C ATOM 62469 O2* C A 90 -851.363 -77.514 47.928 1.00846.05 O ATOM 62470 C1* C A 90 -850.951 -79.664 46.941 1.00846.05 C ATOM 62471 N1 C A 90 -850.349 -80.023 45.648 1.00846.05 N ATOM 62472 C2 C A 90 -848.956 -80.122 45.562 1.00846.05 C ATOM 62473 O2 C A 90 -848.279 -79.927 46.584 1.00846.05 O ATOM 62474 N3 C A 90 -848.382 -80.428 44.379 1.00846.05 N ATOM 62475 C4 C A 90 -849.146 -80.636 43.300 1.00846.05 C ATOM 62476 N4 C A 90 -848.540 -80.925 42.150 1.00846.05 N ATOM 62477 C5 C A 90 -850.569 -80.551 43.362 1.00846.05 C ATOM 62478 C6 C A 90 -851.125 -80.250 44.543 1.00846.05 C ATOM 62479 P A A 91 -855.066 -77.079 46.612 1.00846.05 P ATOM 62480 O1P A A 91 -856.126 -76.501 47.476 1.00846.05 O ATOM 62481 O2P A A 91 -855.438 -77.992 45.500 1.00846.05 O ATOM 62482 O5* A A 91 -854.210 -75.885 45.992 1.00846.05 O ATOM 62483 C5* A A 91 -853.073 -75.356 46.670 1.00846.05 C ATOM 62484 C4* A A 91 -852.626 -74.078 46.003 1.00846.05 C ATOM 62485 O4* A A 91 -851.382 -73.644 46.610 1.00846.05 O ATOM 62486 C3* A A 91 -852.289 -74.163 44.520 1.00846.05 C ATOM 62487 O3* A A 91 -853.449 -74.098 43.697 1.00846.05 O ATOM 62488 C2* A A 91 -851.343 -72.988 44.322 1.00846.05 C ATOM 62489 O2* A A 91 -852.019 -71.756 44.149 1.00846.05 O ATOM 62490 C1* A A 91 -850.584 -72.974 45.651 1.00846.05 C ATOM 62491 N9 A A 91 -849.308 -73.688 45.578 1.00846.05 N ATOM 62492 C8 A A 91 -848.435 -73.696 44.521 1.00846.05 C ATOM 62493 N7 A A 91 -847.353 -74.407 44.730 1.00846.05 N ATOM 62494 C5 A A 91 -847.529 -74.906 46.014 1.00846.05 C ATOM 62495 C6 A A 91 -846.732 -75.731 46.822 1.00846.05 C ATOM 62496 N6 A A 91 -845.544 -76.212 46.445 1.00846.05 N ATOM 62497 N1 A A 91 -847.201 -76.052 48.048 1.00846.05 N ATOM 62498 C2 A A 91 -848.389 -75.564 48.427 1.00846.05 C ATOM 62499 N3 A A 91 -849.227 -74.773 47.759 1.00846.05 N ATOM 62500 C4 A A 91 -848.734 -74.475 46.548 1.00846.05 C ATOM 62501 P G A 92 -853.537 -74.998 42.370 1.00846.05 P ATOM 62502 O1P G A 92 -854.821 -74.689 41.695 1.00846.05 O ATOM 62503 O2P G A 92 -853.208 -76.402 42.720 1.00846.05 O ATOM 62504 O5* G A 92 -852.363 -74.436 41.451 1.00846.05 O ATOM 62505 C5* G A 92 -852.323 -73.067 41.087 1.00846.05 C ATOM 62506 C4* G A 92 -850.925 -72.686 40.687 1.00846.05 C ATOM 62507 O4* G A 92 -849.992 -73.275 41.625 1.00846.05 O ATOM 62508 C3* G A 92 -850.435 -73.146 39.331 1.00846.05 C ATOM 62509 O3* G A 92 -850.861 -72.271 38.291 1.00846.05 O ATOM 62510 C2* G A 92 -848.929 -73.108 39.519 1.00846.05 C ATOM 62511 O2* G A 92 -848.467 -71.777 39.444 1.00846.05 O ATOM 62512 C1* G A 92 -848.786 -73.593 40.960 1.00846.05 C ATOM 62513 N9 G A 92 -848.604 -75.044 41.006 1.00846.05 N ATOM 62514 C8 G A 92 -849.352 -75.947 41.719 1.00846.05 C ATOM 62515 N7 G A 92 -848.986 -77.183 41.520 1.00846.05 N ATOM 62516 C5 G A 92 -847.927 -77.087 40.630 1.00846.05 C ATOM 62517 C6 G A 92 -847.128 -78.102 40.041 1.00846.05 C ATOM 62518 O6 G A 92 -847.212 -79.328 40.180 1.00846.05 O ATOM 62519 N1 G A 92 -846.155 -77.560 39.207 1.00846.05 N ATOM 62520 C2 G A 92 -845.973 -76.219 38.970 1.00846.05 C ATOM 62521 N2 G A 92 -844.966 -75.888 38.153 1.00846.05 N ATOM 62522 N3 G A 92 -846.720 -75.269 39.500 1.00846.05 N ATOM 62523 C4 G A 92 -847.669 -75.772 40.314 1.00846.05 C ATOM 62524 P G A 93 -850.438 -72.582 36.765 1.00846.05 P ATOM 62525 O1P G A 93 -849.070 -72.039 36.561 1.00846.05 O ATOM 62526 O2P G A 93 -851.543 -72.128 35.886 1.00846.05 O ATOM 62527 O5* G A 93 -850.358 -74.172 36.660 1.00846.05 O ATOM 62528 C5* G A 93 -849.116 -74.844 36.502 1.00846.05 C ATOM 62529 C4* G A 93 -849.283 -76.324 36.775 1.00846.05 C ATOM 62530 O4* G A 93 -849.691 -76.501 38.158 1.00846.05 O ATOM 62531 C3* G A 93 -850.348 -77.062 35.986 1.00846.05 C ATOM 62532 O3* G A 93 -849.896 -77.464 34.699 1.00846.05 O ATOM 62533 C2* G A 93 -850.664 -78.255 36.877 1.00846.05 C ATOM 62534 O2* G A 93 -849.743 -79.314 36.721 1.00846.05 O ATOM 62535 C1* G A 93 -850.520 -77.645 38.271 1.00846.05 C ATOM 62536 N9 G A 93 -851.811 -77.237 38.814 1.00846.05 N ATOM 62537 C8 G A 93 -852.376 -75.985 38.794 1.00846.05 C ATOM 62538 N7 G A 93 -853.565 -75.950 39.330 1.00846.05 N ATOM 62539 C5 G A 93 -853.796 -77.257 39.736 1.00846.05 C ATOM 62540 C6 G A 93 -854.922 -77.839 40.374 1.00846.05 C ATOM 62541 O6 G A 93 -855.982 -77.298 40.719 1.00846.05 O ATOM 62542 N1 G A 93 -854.733 -79.197 40.607 1.00846.05 N ATOM 62543 C2 G A 93 -853.610 -79.909 40.269 1.00846.05 C ATOM 62544 N2 G A 93 -853.612 -81.209 40.584 1.00846.05 N ATOM 62545 N3 G A 93 -852.557 -79.381 39.669 1.00846.05 N ATOM 62546 C4 G A 93 -852.717 -78.061 39.434 1.00846.05 C ATOM 62547 P G A 94 -850.925 -77.487 33.464 1.00846.05 P ATOM 62548 O1P G A 94 -850.205 -78.097 32.326 1.00846.05 O ATOM 62549 O2P G A 94 -851.514 -76.132 33.323 1.00846.05 O ATOM 62550 O5* G A 94 -852.070 -78.497 33.926 1.00846.05 O ATOM 62551 C5* G A 94 -851.802 -79.889 34.043 1.00846.05 C ATOM 62552 C4* G A 94 -853.020 -80.633 34.549 1.00846.05 C ATOM 62553 O4* G A 94 -853.501 -79.998 35.766 1.00846.05 O ATOM 62554 C3* G A 94 -854.294 -80.601 33.731 1.00846.05 C ATOM 62555 O3* G A 94 -854.204 -81.506 32.640 1.00846.05 O ATOM 62556 C2* G A 94 -855.386 -80.990 34.714 1.00846.05 C ATOM 62557 O2* G A 94 -855.546 -82.388 34.845 1.00846.05 O ATOM 62558 C1* G A 94 -854.841 -80.391 36.012 1.00846.05 C ATOM 62559 N9 G A 94 -855.630 -79.202 36.310 1.00846.05 N ATOM 62560 C8 G A 94 -855.269 -77.886 36.184 1.00846.05 C ATOM 62561 N7 G A 94 -856.240 -77.057 36.459 1.00846.05 N ATOM 62562 C5 G A 94 -857.306 -77.882 36.800 1.00846.05 C ATOM 62563 C6 G A 94 -858.639 -77.564 37.181 1.00846.05 C ATOM 62564 O6 G A 94 -859.174 -76.454 37.288 1.00846.05 O ATOM 62565 N1 G A 94 -859.381 -78.715 37.445 1.00846.05 N ATOM 62566 C2 G A 94 -858.908 -79.997 37.350 1.00846.05 C ATOM 62567 N2 G A 94 -859.774 -80.974 37.654 1.00846.05 N ATOM 62568 N3 G A 94 -857.677 -80.306 36.992 1.00846.05 N ATOM 62569 C4 G A 94 -856.937 -79.208 36.731 1.00846.05 C ATOM 62570 P U A 95 -855.313 -81.441 31.472 1.00846.05 P ATOM 62571 O1P U A 95 -854.853 -82.312 30.364 1.00846.05 O ATOM 62572 O2P U A 95 -855.598 -80.006 31.212 1.00846.05 O ATOM 62573 O5* U A 95 -856.621 -82.087 32.120 1.00846.05 O ATOM 62574 C5* U A 95 -856.815 -83.498 32.141 1.00846.05 C ATOM 62575 C4* U A 95 -858.284 -83.829 32.017 1.00846.05 C ATOM 62576 O4* U A 95 -858.932 -83.498 33.271 1.00846.05 O ATOM 62577 C3* U A 95 -859.129 -83.089 30.971 1.00846.05 C ATOM 62578 O3* U A 95 -859.056 -83.640 29.657 1.00846.05 O ATOM 62579 C2* U A 95 -860.542 -83.221 31.531 1.00846.05 C ATOM 62580 O2* U A 95 -861.146 -84.455 31.192 1.00846.05 O ATOM 62581 C1* U A 95 -860.293 -83.185 33.040 1.00846.05 C ATOM 62582 N1 U A 95 -860.581 -81.885 33.662 1.00846.05 N ATOM 62583 C2 U A 95 -861.714 -81.786 34.450 1.00846.05 C ATOM 62584 O2 U A 95 -862.475 -82.720 34.636 1.00846.05 O ATOM 62585 N3 U A 95 -861.923 -80.550 35.014 1.00846.05 N ATOM 62586 C4 U A 95 -861.133 -79.427 34.872 1.00846.05 C ATOM 62587 O4 U A 95 -861.449 -78.388 35.452 1.00846.05 O ATOM 62588 C5 U A 95 -859.983 -79.609 34.035 1.00846.05 C ATOM 62589 C6 U A 95 -859.753 -80.802 33.476 1.00846.05 C ATOM 62590 P C A 96 -859.452 -82.737 28.383 1.00846.05 P ATOM 62591 O1P C A 96 -859.117 -83.535 27.177 1.00846.05 O ATOM 62592 O2P C A 96 -858.863 -81.387 28.552 1.00846.05 O ATOM 62593 O5* C A 96 -861.043 -82.611 28.446 1.00846.05 O ATOM 62594 C5* C A 96 -861.870 -83.766 28.356 1.00846.05 C ATOM 62595 C4* C A 96 -863.280 -83.459 28.823 1.00846.05 C ATOM 62596 O4* C A 96 -863.246 -83.025 30.206 1.00846.05 O ATOM 62597 C3* C A 96 -863.985 -82.332 28.098 1.00846.05 C ATOM 62598 O3* C A 96 -864.597 -82.813 26.907 1.00846.05 O ATOM 62599 C2* C A 96 -865.021 -81.870 29.116 1.00846.05 C ATOM 62600 O2* C A 96 -866.189 -82.667 29.108 1.00846.05 O ATOM 62601 C1* C A 96 -864.271 -82.076 30.435 1.00846.05 C ATOM 62602 N1 C A 96 -863.653 -80.830 30.908 1.00846.05 N ATOM 62603 C2 C A 96 -864.351 -80.030 31.818 1.00846.05 C ATOM 62604 O2 C A 96 -865.462 -80.409 32.220 1.00846.05 O ATOM 62605 N3 C A 96 -863.798 -78.870 32.240 1.00846.05 N ATOM 62606 C4 C A 96 -862.597 -78.501 31.789 1.00846.05 C ATOM 62607 N4 C A 96 -862.094 -77.345 32.225 1.00846.05 N ATOM 62608 C5 C A 96 -861.859 -79.301 30.868 1.00846.05 C ATOM 62609 C6 C A 96 -862.418 -80.447 30.458 1.00846.05 C ATOM 62610 P C A 97 -864.785 -81.821 25.654 1.00846.05 P ATOM 62611 O1P C A 97 -865.146 -82.652 24.478 1.00846.05 O ATOM 62612 O2P C A 97 -863.594 -80.938 25.590 1.00846.05 O ATOM 62613 O5* C A 97 -866.049 -80.923 26.041 1.00846.05 O ATOM 62614 C5* C A 97 -867.259 -81.524 26.498 1.00846.05 C ATOM 62615 C4* C A 97 -868.112 -80.514 27.236 1.00846.05 C ATOM 62616 O4* C A 97 -867.427 -80.113 28.450 1.00846.05 O ATOM 62617 C3* C A 97 -868.353 -79.201 26.500 1.00846.05 C ATOM 62618 O3* C A 97 -869.469 -79.269 25.619 1.00846.05 O ATOM 62619 C2* C A 97 -868.637 -78.222 27.636 1.00846.05 C ATOM 62620 O2* C A 97 -869.985 -78.258 28.057 1.00846.05 O ATOM 62621 C1* C A 97 -867.751 -78.771 28.760 1.00846.05 C ATOM 62622 N1 C A 97 -866.505 -78.011 28.954 1.00846.05 N ATOM 62623 C2 C A 97 -866.577 -76.754 29.572 1.00846.05 C ATOM 62624 O2 C A 97 -867.683 -76.325 29.932 1.00846.05 O ATOM 62625 N3 C A 97 -865.441 -76.044 29.759 1.00846.05 N ATOM 62626 C4 C A 97 -864.271 -76.541 29.358 1.00846.05 C ATOM 62627 N4 C A 97 -863.174 -75.803 29.567 1.00846.05 N ATOM 62628 C5 C A 97 -864.167 -77.815 28.726 1.00846.05 C ATOM 62629 C6 C A 97 -865.301 -78.511 28.546 1.00846.05 C ATOM 62630 P C A 98 -869.353 -78.684 24.123 1.00846.05 P ATOM 62631 O1P C A 98 -870.736 -78.494 23.620 1.00846.05 O ATOM 62632 O2P C A 98 -868.411 -79.543 23.364 1.00846.05 O ATOM 62633 O5* C A 98 -868.684 -77.247 24.294 1.00846.05 O ATOM 62634 C5* C A 98 -869.366 -76.196 24.978 1.00846.05 C ATOM 62635 C4* C A 98 -868.399 -75.096 25.358 1.00846.05 C ATOM 62636 O4* C A 98 -867.419 -75.638 26.279 1.00846.05 O ATOM 62637 C3* C A 98 -867.529 -74.489 24.274 1.00846.05 C ATOM 62638 O3* C A 98 -868.231 -73.483 23.554 1.00846.05 O ATOM 62639 C2* C A 98 -866.370 -73.887 25.057 1.00846.05 C ATOM 62640 O2* C A 98 -866.670 -72.608 25.575 1.00846.05 O ATOM 62641 C1* C A 98 -866.219 -74.888 26.200 1.00846.05 C ATOM 62642 N1 C A 98 -865.106 -75.819 25.944 1.00846.05 N ATOM 62643 C2 C A 98 -863.802 -75.397 26.202 1.00846.05 C ATOM 62644 O2 C A 98 -863.615 -74.267 26.673 1.00846.05 O ATOM 62645 N3 C A 98 -862.772 -76.234 25.931 1.00846.05 N ATOM 62646 C4 C A 98 -863.012 -77.447 25.425 1.00846.05 C ATOM 62647 N4 C A 98 -861.970 -78.233 25.160 1.00846.05 N ATOM 62648 C5 C A 98 -864.338 -77.906 25.168 1.00846.05 C ATOM 62649 C6 C A 98 -865.344 -77.067 25.445 1.00846.05 C ATOM 62650 P G A 99 -868.227 -73.515 21.942 1.00846.05 P ATOM 62651 O1P G A 99 -869.508 -74.123 21.506 1.00846.05 O ATOM 62652 O2P G A 99 -866.942 -74.109 21.493 1.00846.05 O ATOM 62653 O5* G A 99 -868.236 -71.977 21.519 1.00846.05 O ATOM 62654 C5* G A 99 -867.105 -71.385 20.881 1.00846.05 C ATOM 62655 C4* G A 99 -866.948 -69.946 21.317 1.00846.05 C ATOM 62656 O4* G A 99 -866.937 -69.879 22.768 1.00846.05 O ATOM 62657 C3* G A 99 -865.673 -69.262 20.915 1.00846.05 C ATOM 62658 O3* G A 99 -865.809 -68.777 19.585 1.00846.05 O ATOM 62659 C2* G A 99 -865.527 -68.151 21.942 1.00846.05 C ATOM 62660 O2* G A 99 -866.302 -67.010 21.627 1.00846.05 O ATOM 62661 C1* G A 99 -866.084 -68.828 23.196 1.00846.05 C ATOM 62662 N9 G A 99 -865.010 -69.433 23.978 1.00846.05 N ATOM 62663 C8 G A 99 -864.739 -70.776 24.096 1.00846.05 C ATOM 62664 N7 G A 99 -863.691 -71.023 24.834 1.00846.05 N ATOM 62665 C5 G A 99 -863.248 -69.769 25.236 1.00846.05 C ATOM 62666 C6 G A 99 -862.144 -69.400 26.051 1.00846.05 C ATOM 62667 O6 G A 99 -861.305 -70.134 26.593 1.00846.05 O ATOM 62668 N1 G A 99 -862.066 -68.024 26.205 1.00846.05 N ATOM 62669 C2 G A 99 -862.932 -67.111 25.651 1.00846.05 C ATOM 62670 N2 G A 99 -862.686 -65.821 25.923 1.00846.05 N ATOM 62671 N3 G A 99 -863.959 -67.442 24.887 1.00846.05 N ATOM 62672 C4 G A 99 -864.060 -68.777 24.724 1.00846.05 C ATOM 62673 P G A 100 -864.494 -68.528 18.696 1.00846.05 P ATOM 62674 O1P G A 100 -864.933 -68.178 17.319 1.00846.05 O ATOM 62675 O2P G A 100 -863.580 -69.680 18.903 1.00846.05 O ATOM 62676 O5* G A 100 -863.821 -67.242 19.349 1.00846.05 O ATOM 62677 C5* G A 100 -864.500 -65.989 19.379 1.00846.05 C ATOM 62678 C4* G A 100 -863.719 -64.990 20.197 1.00846.05 C ATOM 62679 O4* G A 100 -863.536 -65.509 21.541 1.00846.05 O ATOM 62680 C3* G A 100 -862.315 -64.734 19.665 1.00846.05 C ATOM 62681 O3* G A 100 -862.290 -63.703 18.683 1.00846.05 O ATOM 62682 C2* G A 100 -861.537 -64.371 20.925 1.00846.05 C ATOM 62683 O2* G A 100 -861.694 -63.015 21.286 1.00846.05 O ATOM 62684 C1* G A 100 -862.208 -65.264 21.974 1.00846.05 C ATOM 62685 N9 G A 100 -861.549 -66.558 22.131 1.00846.05 N ATOM 62686 C8 G A 100 -862.133 -67.791 21.969 1.00846.05 C ATOM 62687 N7 G A 100 -861.309 -68.781 22.177 1.00846.05 N ATOM 62688 C5 G A 100 -860.107 -68.167 22.495 1.00846.05 C ATOM 62689 C6 G A 100 -858.847 -68.734 22.819 1.00846.05 C ATOM 62690 O6 G A 100 -858.535 -69.927 22.894 1.00846.05 O ATOM 62691 N1 G A 100 -857.896 -67.754 23.077 1.00846.05 N ATOM 62692 C2 G A 100 -858.120 -66.403 23.025 1.00846.05 C ATOM 62693 N2 G A 100 -857.066 -65.620 23.305 1.00846.05 N ATOM 62694 N3 G A 100 -859.293 -65.858 22.724 1.00846.05 N ATOM 62695 C4 G A 100 -860.235 -66.794 22.471 1.00846.05 C ATOM 62696 P A A 101 -861.786 -64.032 17.193 1.00846.05 P ATOM 62697 O1P A A 101 -861.597 -62.744 16.479 1.00846.05 O ATOM 62698 O2P A A 101 -862.683 -65.065 16.615 1.00846.05 O ATOM 62699 O5* A A 101 -860.357 -64.703 17.404 1.00846.05 O ATOM 62700 C5* A A 101 -859.365 -64.088 18.216 1.00846.05 C ATOM 62701 C4* A A 101 -858.585 -65.142 18.962 1.00846.05 C ATOM 62702 O4* A A 101 -859.486 -66.179 19.436 1.00846.05 O ATOM 62703 C3* A A 101 -857.531 -65.888 18.169 1.00846.05 C ATOM 62704 O3* A A 101 -856.342 -65.127 18.118 1.00846.05 O ATOM 62705 C2* A A 101 -857.397 -67.199 18.929 1.00846.05 C ATOM 62706 O2* A A 101 -856.550 -67.092 20.058 1.00846.05 O ATOM 62707 C1* A A 101 -858.836 -67.440 19.372 1.00846.05 C ATOM 62708 N9 A A 101 -859.560 -68.274 18.415 1.00846.05 N ATOM 62709 C8 A A 101 -860.297 -67.871 17.328 1.00846.05 C ATOM 62710 N7 A A 101 -860.807 -68.863 16.637 1.00846.05 N ATOM 62711 C5 A A 101 -860.384 -69.994 17.317 1.00846.05 C ATOM 62712 C6 A A 101 -860.588 -71.367 17.090 1.00846.05 C ATOM 62713 N6 A A 101 -861.301 -71.851 16.070 1.00846.05 N ATOM 62714 N1 A A 101 -860.027 -72.237 17.959 1.00846.05 N ATOM 62715 C2 A A 101 -859.311 -71.751 18.978 1.00846.05 C ATOM 62716 N3 A A 101 -859.049 -70.487 19.298 1.00846.05 N ATOM 62717 C4 A A 101 -859.618 -69.646 18.416 1.00846.05 C ATOM 62718 P A A 102 -855.244 -65.479 17.005 1.00846.05 P ATOM 62719 O1P A A 102 -855.269 -64.414 15.975 1.00846.05 O ATOM 62720 O2P A A 102 -855.458 -66.894 16.609 1.00846.05 O ATOM 62721 O5* A A 102 -853.860 -65.408 17.780 1.00846.05 O ATOM 62722 C5* A A 102 -852.646 -65.528 17.059 1.00846.05 C ATOM 62723 C4* A A 102 -851.495 -65.067 17.911 1.00846.05 C ATOM 62724 O4* A A 102 -851.397 -65.884 19.117 1.00846.05 O ATOM 62725 C3* A A 102 -850.130 -65.164 17.286 1.00846.05 C ATOM 62726 O3* A A 102 -849.916 -64.054 16.430 1.00846.05 O ATOM 62727 C2* A A 102 -849.205 -65.182 18.499 1.00846.05 C ATOM 62728 O2* A A 102 -848.979 -63.889 19.020 1.00846.05 O ATOM 62729 C1* A A 102 -850.036 -65.972 19.509 1.00846.05 C ATOM 62730 N9 A A 102 -849.627 -67.382 19.627 1.00846.05 N ATOM 62731 C8 A A 102 -850.234 -68.531 19.176 1.00846.05 C ATOM 62732 N7 A A 102 -849.593 -69.637 19.524 1.00846.05 N ATOM 62733 C5 A A 102 -848.514 -69.178 20.242 1.00846.05 C ATOM 62734 C6 A A 102 -847.506 -69.852 20.909 1.00846.05 C ATOM 62735 N6 A A 102 -847.482 -71.177 21.036 1.00846.05 N ATOM 62736 N1 A A 102 -846.534 -69.123 21.486 1.00846.05 N ATOM 62737 C2 A A 102 -846.627 -67.791 21.434 1.00846.05 C ATOM 62738 N3 A A 102 -847.566 -67.030 20.878 1.00846.05 N ATOM 62739 C4 A A 102 -848.497 -67.794 20.288 1.00846.05 C ATOM 62740 P A A 103 -849.216 -64.290 15.002 1.00846.05 P ATOM 62741 O1P A A 103 -848.757 -62.972 14.492 1.00846.05 O ATOM 62742 O2P A A 103 -850.137 -65.115 14.176 1.00846.05 O ATOM 62743 O5* A A 103 -847.941 -65.166 15.379 1.00846.05 O ATOM 62744 C5* A A 103 -846.854 -64.563 16.069 1.00846.05 C ATOM 62745 C4* A A 103 -845.845 -65.591 16.505 1.00846.05 C ATOM 62746 O4* A A 103 -846.391 -66.506 17.486 1.00846.05 O ATOM 62747 C3* A A 103 -845.280 -66.446 15.390 1.00846.05 C ATOM 62748 O3* A A 103 -844.249 -65.772 14.687 1.00846.05 O ATOM 62749 C2* A A 103 -844.777 -67.660 16.162 1.00846.05 C ATOM 62750 O2* A A 103 -843.504 -67.437 16.737 1.00846.05 O ATOM 62751 C1* A A 103 -845.809 -67.783 17.289 1.00846.05 C ATOM 62752 N9 A A 103 -846.859 -68.769 17.036 1.00846.05 N ATOM 62753 C8 A A 103 -848.052 -68.614 16.368 1.00846.05 C ATOM 62754 N7 A A 103 -848.768 -69.714 16.305 1.00846.05 N ATOM 62755 C5 A A 103 -847.996 -70.650 16.980 1.00846.05 C ATOM 62756 C6 A A 103 -848.196 -72.019 17.266 1.00846.05 C ATOM 62757 N6 A A 103 -849.275 -72.704 16.884 1.00846.05 N ATOM 62758 N1 A A 103 -847.233 -72.661 17.960 1.00846.05 N ATOM 62759 C2 A A 103 -846.146 -71.975 18.334 1.00846.05 C ATOM 62760 N3 A A 103 -845.849 -70.696 18.128 1.00846.05 N ATOM 62761 C4 A A 103 -846.822 -70.081 17.437 1.00846.05 C ATOM 62762 P A A 104 -844.077 -66.020 13.111 1.00846.05 P ATOM 62763 O1P A A 104 -843.172 -64.960 12.597 1.00846.05 O ATOM 62764 O2P A A 104 -845.427 -66.186 12.513 1.00846.05 O ATOM 62765 O5* A A 104 -843.314 -67.417 13.036 1.00846.05 O ATOM 62766 C5* A A 104 -841.953 -67.507 13.425 1.00846.05 C ATOM 62767 C4* A A 104 -841.558 -68.939 13.702 1.00846.05 C ATOM 62768 O4* A A 104 -842.378 -69.491 14.766 1.00846.05 O ATOM 62769 C3* A A 104 -841.681 -69.901 12.534 1.00846.05 C ATOM 62770 O3* A A 104 -840.499 -69.891 11.747 1.00846.05 O ATOM 62771 C2* A A 104 -841.828 -71.244 13.243 1.00846.05 C ATOM 62772 O2* A A 104 -840.581 -71.791 13.618 1.00846.05 O ATOM 62773 C1* A A 104 -842.605 -70.865 14.503 1.00846.05 C ATOM 62774 N9 A A 104 -844.041 -71.121 14.382 1.00846.05 N ATOM 62775 C8 A A 104 -845.063 -70.271 14.038 1.00846.05 C ATOM 62776 N7 A A 104 -846.239 -70.848 14.010 1.00846.05 N ATOM 62777 C5 A A 104 -845.976 -72.162 14.362 1.00846.05 C ATOM 62778 C6 A A 104 -846.802 -73.295 14.515 1.00846.05 C ATOM 62779 N6 A A 104 -848.125 -73.277 14.324 1.00846.05 N ATOM 62780 N1 A A 104 -846.218 -74.459 14.875 1.00846.05 N ATOM 62781 C2 A A 104 -844.895 -74.474 15.068 1.00846.05 C ATOM 62782 N3 A A 104 -844.013 -73.485 14.954 1.00846.05 N ATOM 62783 C4 A A 104 -844.625 -72.346 14.598 1.00846.05 C ATOM 62784 P G A 105 -840.584 -70.203 10.169 1.00846.05 P ATOM 62785 O1P G A 105 -839.186 -70.293 9.675 1.00846.05 O ATOM 62786 O2P G A 105 -841.518 -69.229 9.549 1.00846.05 O ATOM 62787 O5* G A 105 -841.236 -71.655 10.075 1.00846.05 O ATOM 62788 C5* G A 105 -840.486 -72.823 10.417 1.00846.05 C ATOM 62789 C4* G A 105 -841.384 -74.042 10.423 1.00846.05 C ATOM 62790 O4* G A 105 -842.408 -73.872 11.432 1.00846.05 O ATOM 62791 C3* G A 105 -842.153 -74.313 9.140 1.00846.05 C ATOM 62792 O3* G A 105 -841.370 -75.052 8.207 1.00846.05 O ATOM 62793 C2* G A 105 -843.363 -75.106 9.625 1.00846.05 C ATOM 62794 O2* G A 105 -843.083 -76.484 9.771 1.00846.05 O ATOM 62795 C1* G A 105 -843.607 -74.493 11.007 1.00846.05 C ATOM 62796 N9 G A 105 -844.672 -73.494 11.035 1.00846.05 N ATOM 62797 C8 G A 105 -844.523 -72.129 11.007 1.00846.05 C ATOM 62798 N7 G A 105 -845.656 -71.486 11.082 1.00846.05 N ATOM 62799 C5 G A 105 -846.613 -72.487 11.152 1.00846.05 C ATOM 62800 C6 G A 105 -848.026 -72.403 11.256 1.00846.05 C ATOM 62801 O6 G A 105 -848.735 -71.393 11.312 1.00846.05 O ATOM 62802 N1 G A 105 -848.612 -73.664 11.292 1.00846.05 N ATOM 62803 C2 G A 105 -847.926 -74.854 11.240 1.00846.05 C ATOM 62804 N2 G A 105 -848.670 -75.969 11.277 1.00846.05 N ATOM 62805 N3 G A 105 -846.611 -74.947 11.155 1.00846.05 N ATOM 62806 C4 G A 105 -846.020 -73.734 11.115 1.00846.05 C ATOM 62807 P U A 106 -841.784 -75.071 6.649 1.00846.05 P ATOM 62808 O1P U A 106 -841.077 -76.210 6.014 1.00846.05 O ATOM 62809 O2P U A 106 -841.606 -73.701 6.107 1.00846.05 O ATOM 62810 O5* U A 106 -843.347 -75.396 6.662 1.00846.05 O ATOM 62811 C5* U A 106 -843.831 -76.719 6.448 1.00846.05 C ATOM 62812 C4* U A 106 -844.986 -76.698 5.471 1.00846.05 C ATOM 62813 O4* U A 106 -846.223 -76.447 6.193 1.00846.05 O ATOM 62814 C3* U A 106 -844.929 -75.589 4.438 1.00846.05 C ATOM 62815 O3* U A 106 -844.095 -75.916 3.331 1.00846.05 O ATOM 62816 C2* U A 106 -846.397 -75.406 4.058 1.00846.05 C ATOM 62817 O2* U A 106 -846.822 -76.352 3.096 1.00846.05 O ATOM 62818 C1* U A 106 -847.110 -75.678 5.387 1.00846.05 C ATOM 62819 N1 U A 106 -847.464 -74.476 6.164 1.00846.05 N ATOM 62820 C2 U A 106 -848.742 -73.919 6.040 1.00846.05 C ATOM 62821 O2 U A 106 -849.565 -74.291 5.248 1.00846.05 O ATOM 62822 N3 U A 106 -848.999 -72.863 6.875 1.00846.05 N ATOM 62823 C4 U A 106 -848.128 -72.279 7.756 1.00846.05 C ATOM 62824 O4 U A 106 -848.493 -71.293 8.390 1.00846.05 O ATOM 62825 C5 U A 106 -846.827 -72.870 7.796 1.00846.05 C ATOM 62826 C6 U A 106 -846.548 -73.926 7.023 1.00846.05 C ATOM 62827 P C A 107 -843.076 -74.818 2.746 1.00846.05 P ATOM 62828 O1P C A 107 -841.841 -75.535 2.336 1.00846.05 O ATOM 62829 O2P C A 107 -842.987 -73.684 3.698 1.00846.05 O ATOM 62830 O5* C A 107 -843.805 -74.314 1.424 1.00846.05 O ATOM 62831 C5* C A 107 -844.244 -75.251 0.452 1.00846.05 C ATOM 62832 C4* C A 107 -845.500 -74.762 -0.219 1.00846.05 C ATOM 62833 O4* C A 107 -846.514 -74.490 0.787 1.00846.05 O ATOM 62834 C3* C A 107 -845.408 -73.469 -0.959 1.00846.05 C ATOM 62835 O3* C A 107 -844.786 -73.722 -2.219 1.00846.05 O ATOM 62836 C2* C A 107 -846.865 -73.025 -1.043 1.00846.05 C ATOM 62837 O2* C A 107 -847.582 -73.673 -2.074 1.00846.05 O ATOM 62838 C1* C A 107 -847.392 -73.481 0.316 1.00846.05 C ATOM 62839 N1 C A 107 -847.331 -72.338 1.240 1.00846.05 N ATOM 62840 C2 C A 107 -848.407 -71.449 1.286 1.00846.05 C ATOM 62841 O2 C A 107 -849.432 -71.716 0.641 1.00846.05 O ATOM 62842 N3 C A 107 -848.303 -70.333 2.040 1.00846.05 N ATOM 62843 C4 C A 107 -847.190 -70.100 2.747 1.00846.05 C ATOM 62844 N4 C A 107 -847.122 -68.971 3.451 1.00846.05 N ATOM 62845 C5 C A 107 -846.106 -71.019 2.758 1.00846.05 C ATOM 62846 C6 C A 107 -846.218 -72.117 2.002 1.00846.05 C ATOM 62847 P G A 108 -843.719 -72.658 -2.808 1.00846.05 P ATOM 62848 O1P G A 108 -843.143 -73.207 -4.065 1.00846.05 O ATOM 62849 O2P G A 108 -842.803 -72.239 -1.713 1.00846.05 O ATOM 62850 O5* G A 108 -844.595 -71.386 -3.202 1.00846.05 O ATOM 62851 C5* G A 108 -845.791 -71.541 -3.954 1.00846.05 C ATOM 62852 C4* G A 108 -846.642 -70.296 -3.846 1.00846.05 C ATOM 62853 O4* G A 108 -846.955 -70.066 -2.448 1.00846.05 O ATOM 62854 C3* G A 108 -845.918 -69.038 -4.293 1.00846.05 C ATOM 62855 O3* G A 108 -846.038 -68.821 -5.694 1.00846.05 O ATOM 62856 C2* G A 108 -846.610 -67.952 -3.484 1.00846.05 C ATOM 62857 O2* G A 108 -847.829 -67.536 -4.068 1.00846.05 O ATOM 62858 C1* G A 108 -846.904 -68.680 -2.170 1.00846.05 C ATOM 62859 N9 G A 108 -845.854 -68.464 -1.174 1.00846.05 N ATOM 62860 C8 G A 108 -844.569 -68.946 -1.212 1.00846.05 C ATOM 62861 N7 G A 108 -843.851 -68.572 -0.191 1.00846.05 N ATOM 62862 C5 G A 108 -844.713 -67.799 0.571 1.00846.05 C ATOM 62863 C6 G A 108 -844.501 -67.119 1.796 1.00846.05 C ATOM 62864 O6 G A 108 -843.470 -67.058 2.480 1.00846.05 O ATOM 62865 N1 G A 108 -845.648 -66.455 2.219 1.00846.05 N ATOM 62866 C2 G A 108 -846.847 -66.444 1.550 1.00846.05 C ATOM 62867 N2 G A 108 -847.838 -65.744 2.122 1.00846.05 N ATOM 62868 N3 G A 108 -847.059 -67.076 0.409 1.00846.05 N ATOM 62869 C4 G A 108 -845.960 -67.727 -0.020 1.00846.05 C ATOM 62870 P G A 109 -844.731 -68.454 -6.558 1.00846.05 P ATOM 62871 O1P G A 109 -845.075 -68.680 -7.984 0.50846.05 O ATOM 62872 O2P G A 109 -843.568 -69.160 -5.966 0.50846.05 O ATOM 62873 O5* G A 109 -844.538 -66.886 -6.337 1.00846.05 O ATOM 62874 C5* G A 109 -845.559 -65.969 -6.720 1.00846.05 C ATOM 62875 C4* G A 109 -845.643 -64.821 -5.732 1.00846.05 C ATOM 62876 O4* G A 109 -845.645 -65.355 -4.383 1.00846.05 O ATOM 62877 C3* G A 109 -844.503 -63.825 -5.713 1.00846.05 C ATOM 62878 O3* G A 109 -844.655 -62.847 -6.737 1.00846.05 O ATOM 62879 C2* G A 109 -844.621 -63.207 -4.327 1.00846.05 C ATOM 62880 O2* G A 109 -845.610 -62.200 -4.260 1.00846.05 O ATOM 62881 C1* G A 109 -845.053 -64.416 -3.497 1.00846.05 C ATOM 62882 N9 G A 109 -843.888 -65.040 -2.882 1.00846.05 N ATOM 62883 C8 G A 109 -843.350 -66.269 -3.172 1.00846.05 C ATOM 62884 N7 G A 109 -842.273 -66.534 -2.482 1.00846.05 N ATOM 62885 C5 G A 109 -842.096 -65.412 -1.682 1.00846.05 C ATOM 62886 C6 G A 109 -841.093 -65.112 -0.730 1.00846.05 C ATOM 62887 O6 G A 109 -840.122 -65.801 -0.394 1.00846.05 O ATOM 62888 N1 G A 109 -841.294 -63.867 -0.147 1.00846.05 N ATOM 62889 C2 G A 109 -842.328 -63.016 -0.445 1.00846.05 C ATOM 62890 N2 G A 109 -842.352 -61.854 0.228 1.00846.05 N ATOM 62891 N3 G A 109 -843.269 -63.279 -1.335 1.00846.05 N ATOM 62892 C4 G A 109 -843.089 -64.487 -1.911 1.00846.05 C ATOM 62893 P U A 110 -843.348 -62.256 -7.465 1.00846.05 P ATOM 62894 O1P U A 110 -843.801 -61.305 -8.510 1.00846.05 O ATOM 62895 O2P U A 110 -842.481 -63.400 -7.844 1.00846.05 O ATOM 62896 O5* U A 110 -842.597 -61.426 -6.327 1.00846.05 O ATOM 62897 C5* U A 110 -843.301 -60.496 -5.509 1.00846.05 C ATOM 62898 C4* U A 110 -842.517 -60.198 -4.249 1.00846.05 C ATOM 62899 O4* U A 110 -841.865 -61.413 -3.800 1.00846.05 O ATOM 62900 C3* U A 110 -841.400 -59.178 -4.384 1.00846.05 C ATOM 62901 O3* U A 110 -841.911 -57.861 -4.203 1.00846.05 O ATOM 62902 C2* U A 110 -840.441 -59.570 -3.264 1.00846.05 C ATOM 62903 O2* U A 110 -840.814 -59.030 -2.012 1.00846.05 O ATOM 62904 C1* U A 110 -840.612 -61.091 -3.216 1.00846.05 C ATOM 62905 N1 U A 110 -839.567 -61.843 -3.923 1.00846.05 N ATOM 62906 C2 U A 110 -838.322 -61.937 -3.327 1.00846.05 C ATOM 62907 O2 U A 110 -838.059 -61.410 -2.258 1.00846.05 O ATOM 62908 N3 U A 110 -837.395 -62.666 -4.029 1.00846.05 N ATOM 62909 C4 U A 110 -837.582 -63.301 -5.242 1.00846.05 C ATOM 62910 O4 U A 110 -836.646 -63.918 -5.754 1.00846.05 O ATOM 62911 C5 U A 110 -838.893 -63.152 -5.797 1.00846.05 C ATOM 62912 C6 U A 110 -839.816 -62.447 -5.135 1.00846.05 C ATOM 62913 P C A 111 -842.085 -56.883 -5.469 1.00846.05 P ATOM 62914 O1P C A 111 -842.746 -55.645 -4.987 1.00846.05 O ATOM 62915 O2P C A 111 -842.698 -57.659 -6.578 1.00846.05 O ATOM 62916 O5* C A 111 -840.594 -56.519 -5.889 1.00846.05 O ATOM 62917 C5* C A 111 -840.169 -55.162 -5.978 1.00846.05 C ATOM 62918 C4* C A 111 -839.044 -55.046 -6.975 1.00846.05 C ATOM 62919 O4* C A 111 -837.929 -55.860 -6.528 1.00846.05 O ATOM 62920 C3* C A 111 -839.269 -55.616 -8.355 1.00846.05 C ATOM 62921 O3* C A 111 -840.009 -54.670 -9.114 1.00846.05 O ATOM 62922 C2* C A 111 -837.870 -55.879 -8.905 1.00846.05 C ATOM 62923 O2* C A 111 -837.319 -54.753 -9.558 1.00846.05 O ATOM 62924 C1* C A 111 -837.085 -56.165 -7.626 1.00846.05 C ATOM 62925 N1 C A 111 -836.694 -57.579 -7.521 1.00846.05 N ATOM 62926 C2 C A 111 -835.339 -57.901 -7.422 1.00846.05 C ATOM 62927 O2 C A 111 -834.504 -56.986 -7.391 1.00846.05 O ATOM 62928 N3 C A 111 -834.973 -59.205 -7.357 1.00846.05 N ATOM 62929 C4 C A 111 -835.903 -60.162 -7.385 1.00846.05 C ATOM 62930 N4 C A 111 -835.498 -61.435 -7.334 1.00846.05 N ATOM 62931 C5 C A 111 -837.293 -59.857 -7.472 1.00846.05 C ATOM 62932 C6 C A 111 -837.642 -58.566 -7.535 1.00846.05 C ATOM 62933 P A A 112 -841.098 -55.187 -10.184 1.00846.05 P ATOM 62934 O1P A A 112 -841.371 -56.613 -9.878 1.00846.05 O ATOM 62935 O2P A A 112 -840.639 -54.801 -11.541 1.00846.05 O ATOM 62936 O5* A A 112 -842.409 -54.348 -9.842 1.00846.05 O ATOM 62937 C5* A A 112 -842.687 -53.953 -8.501 1.00846.05 C ATOM 62938 C4* A A 112 -844.075 -54.392 -8.087 1.00846.05 C ATOM 62939 O4* A A 112 -844.288 -54.029 -6.701 1.00846.05 O ATOM 62940 C3* A A 112 -845.251 -53.758 -8.823 1.00846.05 C ATOM 62941 O3* A A 112 -845.534 -54.458 -10.033 1.00846.05 O ATOM 62942 C2* A A 112 -846.391 -53.889 -7.821 1.00846.05 C ATOM 62943 O2* A A 112 -847.050 -55.137 -7.893 1.00846.05 O ATOM 62944 C1* A A 112 -845.662 -53.777 -6.480 1.00846.05 C ATOM 62945 N9 A A 112 -845.788 -52.468 -5.838 1.00846.05 N ATOM 62946 C8 A A 112 -844.978 -51.369 -5.971 1.00846.05 C ATOM 62947 N7 A A 112 -845.356 -50.342 -5.249 1.00846.05 N ATOM 62948 C5 A A 112 -846.497 -50.797 -4.596 1.00846.05 C ATOM 62949 C6 A A 112 -847.369 -50.183 -3.682 1.00846.05 C ATOM 62950 N6 A A 112 -847.228 -48.929 -3.246 1.00846.05 N ATOM 62951 N1 A A 112 -848.411 -50.914 -3.224 1.00846.05 N ATOM 62952 C2 A A 112 -848.552 -52.172 -3.660 1.00846.05 C ATOM 62953 N3 A A 112 -847.796 -52.858 -4.516 1.00846.05 N ATOM 62954 C4 A A 112 -846.771 -52.103 -4.950 1.00846.05 C ATOM 62955 P G A 113 -846.020 -53.645 -11.335 1.00846.05 P ATOM 62956 O1P G A 113 -846.479 -54.656 -12.324 1.00846.05 O ATOM 62957 O2P G A 113 -844.956 -52.682 -11.717 1.00846.05 O ATOM 62958 O5* G A 113 -847.302 -52.823 -10.854 1.00846.05 O ATOM 62959 C5* G A 113 -848.517 -53.502 -10.527 1.00846.05 C ATOM 62960 C4* G A 113 -849.454 -52.594 -9.761 1.00846.05 C ATOM 62961 O4* G A 113 -848.805 -52.148 -8.537 1.00846.05 O ATOM 62962 C3* G A 113 -849.842 -51.265 -10.385 1.00846.05 C ATOM 62963 O3* G A 113 -850.898 -51.429 -11.326 1.00846.05 O ATOM 62964 C2* G A 113 -850.305 -50.421 -9.203 1.00846.05 C ATOM 62965 O2* G A 113 -851.670 -50.612 -8.888 1.00846.05 O ATOM 62966 C1* G A 113 -849.433 -50.963 -8.073 1.00846.05 C ATOM 62967 N9 G A 113 -848.408 -49.984 -7.724 1.00846.05 N ATOM 62968 C8 G A 113 -847.171 -49.815 -8.292 1.00846.05 C ATOM 62969 N7 G A 113 -846.506 -48.810 -7.785 1.00846.05 N ATOM 62970 C5 G A 113 -847.356 -48.295 -6.814 1.00846.05 C ATOM 62971 C6 G A 113 -847.189 -47.196 -5.934 1.00846.05 C ATOM 62972 O6 G A 113 -846.229 -46.425 -5.835 1.00846.05 O ATOM 62973 N1 G A 113 -848.299 -47.026 -5.112 1.00846.05 N ATOM 62974 C2 G A 113 -849.423 -47.812 -5.130 1.00846.05 C ATOM 62975 N2 G A 113 -850.387 -47.489 -4.254 1.00846.05 N ATOM 62976 N3 G A 113 -849.593 -48.834 -5.949 1.00846.05 N ATOM 62977 C4 G A 113 -848.527 -49.017 -6.757 1.00846.05 C ATOM 62978 P C A 114 -851.123 -50.312 -12.465 1.00846.05 P ATOM 62979 O1P C A 114 -852.014 -50.890 -13.502 1.00846.05 O ATOM 62980 O2P C A 114 -849.791 -49.784 -12.856 1.00846.05 O ATOM 62981 O5* C A 114 -851.914 -49.134 -11.730 1.00846.05 O ATOM 62982 C5* C A 114 -853.233 -49.330 -11.219 1.00846.05 C ATOM 62983 C4* C A 114 -853.775 -48.029 -10.663 1.00846.05 C ATOM 62984 O4* C A 114 -852.882 -47.584 -9.605 1.00846.05 O ATOM 62985 C3* C A 114 -853.769 -46.799 -11.547 1.00846.05 C ATOM 62986 O3* C A 114 -854.939 -46.818 -12.353 1.00846.05 O ATOM 62987 C2* C A 114 -853.794 -45.619 -10.586 1.00846.05 C ATOM 62988 O2* C A 114 -855.108 -45.245 -10.221 1.00846.05 O ATOM 62989 C1* C A 114 -853.058 -46.196 -9.377 1.00846.05 C ATOM 62990 N1 C A 114 -851.723 -45.592 -9.240 1.00846.05 N ATOM 62991 C2 C A 114 -851.512 -44.617 -8.254 1.00846.05 C ATOM 62992 O2 C A 114 -852.447 -44.304 -7.500 1.00846.05 O ATOM 62993 N3 C A 114 -850.290 -44.045 -8.147 1.00846.05 N ATOM 62994 C4 C A 114 -849.306 -44.413 -8.975 1.00846.05 C ATOM 62995 N4 C A 114 -848.119 -43.816 -8.843 1.00846.05 N ATOM 62996 C5 C A 114 -849.496 -45.405 -9.978 1.00846.05 C ATOM 62997 C6 C A 114 -850.708 -45.964 -10.074 1.00846.05 C ATOM 62998 P G A 115 -855.089 -45.756 -13.549 1.00846.05 P ATOM 62999 O1P G A 115 -856.278 -46.150 -14.350 1.00846.05 O ATOM 63000 O2P G A 115 -853.769 -45.618 -14.217 1.00846.05 O ATOM 63001 O5* G A 115 -855.418 -44.380 -12.814 1.00846.05 O ATOM 63002 C5* G A 115 -854.712 -43.185 -13.157 1.00846.05 C ATOM 63003 C4* G A 115 -855.176 -42.029 -12.299 1.00846.05 C ATOM 63004 O4* G A 115 -854.856 -42.271 -10.903 1.00846.05 O ATOM 63005 C3* G A 115 -854.538 -40.684 -12.601 1.00846.05 C ATOM 63006 O3* G A 115 -855.169 -40.049 -13.703 1.00846.05 O ATOM 63007 C2* G A 115 -854.711 -39.924 -11.292 1.00846.05 C ATOM 63008 O2* G A 115 -855.989 -39.339 -11.160 1.00846.05 O ATOM 63009 C1* G A 115 -854.546 -41.040 -10.257 1.00846.05 C ATOM 63010 N9 G A 115 -853.184 -41.119 -9.738 1.00846.05 N ATOM 63011 C8 G A 115 -852.179 -41.939 -10.189 1.00846.05 C ATOM 63012 N7 G A 115 -851.057 -41.783 -9.537 1.00846.05 N ATOM 63013 C5 G A 115 -851.336 -40.803 -8.595 1.00846.05 C ATOM 63014 C6 G A 115 -850.500 -40.217 -7.605 1.00846.05 C ATOM 63015 O6 G A 115 -849.313 -40.463 -7.357 1.00846.05 O ATOM 63016 N1 G A 115 -851.178 -39.259 -6.862 1.00846.05 N ATOM 63017 C2 G A 115 -852.496 -38.905 -7.051 1.00846.05 C ATOM 63018 N2 G A 115 -852.975 -37.950 -6.240 1.00846.05 N ATOM 63019 N3 G A 115 -853.286 -39.443 -7.969 1.00846.05 N ATOM 63020 C4 G A 115 -852.646 -40.379 -8.703 1.00846.05 C ATOM 63021 P C A 116 -854.271 -39.378 -14.850 1.00846.05 P ATOM 63022 O1P C A 116 -855.176 -38.622 -15.755 1.00846.05 O ATOM 63023 O2P C A 116 -853.367 -40.412 -15.411 1.00846.05 O ATOM 63024 O5* C A 116 -853.390 -38.326 -14.049 1.00846.05 O ATOM 63025 C5* C A 116 -854.002 -37.292 -13.292 1.00846.05 C ATOM 63026 C4* C A 116 -852.986 -36.661 -12.383 1.00846.05 C ATOM 63027 O4* C A 116 -852.514 -37.641 -11.424 1.00846.05 O ATOM 63028 C3* C A 116 -851.714 -36.171 -13.052 1.00846.05 C ATOM 63029 O3* C A 116 -851.897 -34.890 -13.638 1.00846.05 O ATOM 63030 C2* C A 116 -850.713 -36.157 -11.908 1.00846.05 C ATOM 63031 O2* C A 116 -850.812 -34.976 -11.142 1.00846.05 O ATOM 63032 C1* C A 116 -851.169 -37.364 -11.083 1.00846.05 C ATOM 63033 N1 C A 116 -850.372 -38.580 -11.307 1.00846.05 N ATOM 63034 C2 C A 116 -849.276 -38.833 -10.471 1.00846.05 C ATOM 63035 O2 C A 116 -849.009 -38.032 -9.564 1.00846.05 O ATOM 63036 N3 C A 116 -848.538 -39.947 -10.674 1.00846.05 N ATOM 63037 C4 C A 116 -848.852 -40.786 -11.660 1.00846.05 C ATOM 63038 N4 C A 116 -848.097 -41.875 -11.822 1.00846.05 N ATOM 63039 C5 C A 116 -849.961 -40.552 -12.522 1.00846.05 C ATOM 63040 C6 C A 116 -850.686 -39.447 -12.313 1.00846.05 C ATOM 63041 P G A 117 -851.911 -34.756 -15.236 1.00846.05 P ATOM 63042 O1P G A 117 -853.140 -34.007 -15.603 1.00846.05 O ATOM 63043 O2P G A 117 -851.666 -36.098 -15.820 1.00846.05 O ATOM 63044 O5* G A 117 -850.650 -33.830 -15.537 1.00846.05 O ATOM 63045 C5* G A 117 -850.756 -32.419 -15.400 1.00846.05 C ATOM 63046 C4* G A 117 -849.393 -31.772 -15.354 1.00846.05 C ATOM 63047 O4* G A 117 -848.597 -32.315 -14.265 1.00846.05 O ATOM 63048 C3* G A 117 -848.510 -31.923 -16.576 1.00846.05 C ATOM 63049 O3* G A 117 -848.845 -30.996 -17.597 1.00846.05 O ATOM 63050 C2* G A 117 -847.125 -31.638 -16.008 1.00846.05 C ATOM 63051 O2* G A 117 -846.859 -30.255 -15.884 1.00846.05 O ATOM 63052 C1* G A 117 -847.221 -32.258 -14.614 1.00846.05 C ATOM 63053 N9 G A 117 -846.659 -33.605 -14.631 1.00846.05 N ATOM 63054 C8 G A 117 -847.181 -34.739 -15.204 1.00846.05 C ATOM 63055 N7 G A 117 -846.397 -35.782 -15.081 1.00846.05 N ATOM 63056 C5 G A 117 -845.299 -35.303 -14.374 1.00846.05 C ATOM 63057 C6 G A 117 -844.117 -35.968 -13.941 1.00846.05 C ATOM 63058 O6 G A 117 -843.786 -37.146 -14.112 1.00846.05 O ATOM 63059 N1 G A 117 -843.270 -35.107 -13.249 1.00846.05 N ATOM 63060 C2 G A 117 -843.523 -33.783 -13.005 1.00846.05 C ATOM 63061 N2 G A 117 -842.578 -33.121 -12.318 1.00846.05 N ATOM 63062 N3 G A 117 -844.613 -33.150 -13.405 1.00846.05 N ATOM 63063 C4 G A 117 -845.453 -33.969 -14.079 1.00846.05 C ATOM 63064 P G A 118 -848.760 -31.461 -19.132 1.00846.05 P ATOM 63065 O1P G A 118 -849.147 -30.307 -19.983 1.00846.05 O ATOM 63066 O2P G A 118 -849.488 -32.749 -19.265 1.00846.05 O ATOM 63067 O5* G A 118 -847.210 -31.748 -19.355 1.00846.05 O ATOM 63068 C5* G A 118 -846.688 -31.939 -20.665 1.00846.05 C ATOM 63069 C4* G A 118 -845.294 -32.510 -20.596 1.00846.05 C ATOM 63070 O4* G A 118 -845.312 -33.775 -19.887 1.00846.05 O ATOM 63071 C3* G A 118 -844.659 -32.848 -21.916 1.00846.05 C ATOM 63072 O3* G A 118 -844.092 -31.679 -22.487 1.00846.05 O ATOM 63073 C2* G A 118 -843.602 -33.874 -21.540 1.00846.05 C ATOM 63074 O2* G A 118 -842.410 -33.268 -21.084 1.00846.05 O ATOM 63075 C1* G A 118 -844.289 -34.617 -20.395 1.00846.05 C ATOM 63076 N9 G A 118 -844.897 -35.864 -20.846 1.00846.05 N ATOM 63077 C8 G A 118 -845.360 -36.151 -22.106 1.00846.05 C ATOM 63078 N7 G A 118 -845.830 -37.363 -22.214 1.00846.05 N ATOM 63079 C5 G A 118 -845.674 -37.911 -20.948 1.00846.05 C ATOM 63080 C6 G A 118 -846.000 -39.201 -20.453 1.00846.05 C ATOM 63081 O6 G A 118 -846.509 -40.152 -21.054 1.00846.05 O ATOM 63082 N1 G A 118 -845.674 -39.330 -19.106 1.00846.05 N ATOM 63083 C2 G A 118 -845.106 -38.349 -18.336 1.00846.05 C ATOM 63084 N2 G A 118 -844.867 -38.670 -17.053 1.00846.05 N ATOM 63085 N3 G A 118 -844.798 -37.142 -18.784 1.00846.05 N ATOM 63086 C4 G A 118 -845.104 -36.996 -20.088 1.00846.05 C ATOM 63087 P G A 119 -843.348 -31.781 -23.909 1.00846.05 P ATOM 63088 O1P G A 119 -843.426 -30.444 -24.549 1.00846.05 O ATOM 63089 O2P G A 119 -843.893 -32.968 -24.621 1.00846.05 O ATOM 63090 O5* G A 119 -841.829 -32.079 -23.534 1.00846.05 O ATOM 63091 C5* G A 119 -840.766 -31.440 -24.240 1.00846.05 C ATOM 63092 C4* G A 119 -839.891 -32.467 -24.926 1.00846.05 C ATOM 63093 O4* G A 119 -839.262 -33.316 -23.932 1.00846.05 O ATOM 63094 C3* G A 119 -840.606 -33.437 -25.849 1.00846.05 C ATOM 63095 O3* G A 119 -840.821 -32.905 -27.148 1.00846.05 O ATOM 63096 C2* G A 119 -839.656 -34.625 -25.877 1.00846.05 C ATOM 63097 O2* G A 119 -838.583 -34.441 -26.779 1.00846.05 O ATOM 63098 C1* G A 119 -839.137 -34.634 -24.441 1.00846.05 C ATOM 63099 N9 G A 119 -839.962 -35.517 -23.622 1.00846.05 N ATOM 63100 C8 G A 119 -840.531 -35.224 -22.407 1.00846.05 C ATOM 63101 N7 G A 119 -841.260 -36.198 -21.934 1.00846.05 N ATOM 63102 C5 G A 119 -841.158 -37.196 -22.891 1.00846.05 C ATOM 63103 C6 G A 119 -841.742 -38.493 -22.933 1.00846.05 C ATOM 63104 O6 G A 119 -842.493 -39.028 -22.108 1.00846.05 O ATOM 63105 N1 G A 119 -841.373 -39.179 -24.088 1.00846.05 N ATOM 63106 C2 G A 119 -840.554 -38.689 -25.070 1.00846.05 C ATOM 63107 N2 G A 119 -840.315 -39.509 -26.104 1.00846.05 N ATOM 63108 N3 G A 119 -840.009 -37.484 -25.048 1.00846.05 N ATOM 63109 C4 G A 119 -840.351 -36.798 -23.935 1.00846.05 C ATOM 63110 P G A 120 -841.659 -33.761 -28.222 1.00846.05 P ATOM 63111 O1P G A 120 -842.111 -32.836 -29.287 1.00846.05 O ATOM 63112 O2P G A 120 -842.657 -34.572 -27.479 1.00846.05 O ATOM 63113 O5* G A 120 -840.581 -34.761 -28.845 1.00846.05 O ATOM 63114 C5* G A 120 -840.846 -35.452 -30.068 1.00846.05 C ATOM 63115 C4* G A 120 -840.544 -36.925 -29.914 1.00846.05 C ATOM 63116 O4* G A 120 -841.191 -37.440 -28.725 1.00846.05 O ATOM 63117 C3* G A 120 -841.046 -37.809 -31.061 1.00846.05 C ATOM 63118 O3* G A 120 -840.147 -37.885 -32.165 1.00846.05 O ATOM 63119 C2* G A 120 -841.240 -39.160 -30.384 1.00846.05 C ATOM 63120 O2* G A 120 -840.051 -39.920 -30.323 1.00846.05 O ATOM 63121 C1* G A 120 -841.667 -38.753 -28.968 1.00846.05 C ATOM 63122 N9 G A 120 -843.110 -38.750 -28.754 1.00846.05 N ATOM 63123 C8 G A 120 -843.851 -37.755 -28.159 1.00846.05 C ATOM 63124 N7 G A 120 -845.122 -38.037 -28.091 1.00846.05 N ATOM 63125 C5 G A 120 -845.232 -39.291 -28.676 1.00846.05 C ATOM 63126 C6 G A 120 -846.369 -40.109 -28.887 1.00846.05 C ATOM 63127 O6 G A 120 -847.547 -39.886 -28.590 1.00846.05 O ATOM 63128 N1 G A 120 -846.028 -41.302 -29.520 1.00846.05 N ATOM 63129 C2 G A 120 -844.759 -41.660 -29.897 1.00846.05 C ATOM 63130 N2 G A 120 -844.636 -42.852 -30.497 1.00846.05 N ATOM 63131 N3 G A 120 -843.690 -40.907 -29.705 1.00846.05 N ATOM 63132 C4 G A 120 -843.996 -39.745 -29.094 1.00846.05 C ATOM 63133 P G A 121 -840.724 -37.986 -33.661 1.00846.05 P ATOM 63134 O1P G A 121 -839.560 -37.939 -34.583 1.00846.05 O ATOM 63135 O2P G A 121 -841.816 -36.993 -33.813 1.00846.05 O ATOM 63136 O5* G A 121 -841.355 -39.447 -33.740 1.00846.05 O ATOM 63137 C5* G A 121 -840.525 -40.601 -33.669 1.00846.05 C ATOM 63138 C4* G A 121 -841.171 -41.763 -34.388 1.00846.05 C ATOM 63139 O4* G A 121 -842.154 -42.411 -33.542 1.00846.05 O ATOM 63140 C3* G A 121 -841.970 -41.480 -35.653 1.00846.05 C ATOM 63141 O3* G A 121 -841.275 -40.962 -36.793 1.00846.05 O ATOM 63142 C2* G A 121 -842.841 -42.723 -35.811 1.00846.05 C ATOM 63143 O2* G A 121 -842.169 -43.769 -36.484 1.00846.05 O ATOM 63144 C1* G A 121 -843.062 -43.136 -34.353 1.00846.05 C ATOM 63145 N9 G A 121 -844.421 -42.909 -33.870 1.00846.05 N ATOM 63146 C8 G A 121 -844.953 -41.744 -33.374 1.00846.05 C ATOM 63147 N7 G A 121 -846.207 -41.854 -33.041 1.00846.05 N ATOM 63148 C5 G A 121 -846.525 -43.172 -33.334 1.00846.05 C ATOM 63149 C6 G A 121 -847.750 -43.880 -33.190 1.00846.05 C ATOM 63150 O6 G A 121 -848.835 -43.467 -32.765 1.00846.05 O ATOM 63151 N1 G A 121 -847.628 -45.203 -33.606 1.00846.05 N ATOM 63152 C2 G A 121 -846.479 -45.772 -34.099 1.00846.05 C ATOM 63153 N2 G A 121 -846.561 -47.066 -34.447 1.00846.05 N ATOM 63154 N3 G A 121 -845.335 -45.125 -34.241 1.00846.05 N ATOM 63155 C4 G A 121 -845.432 -43.837 -33.841 1.00846.05 C TER 63156 G A 121 MASTER 2943 0 4 46 6 0 0 691013 32 32 515 END ./arbsrc_9167/lib/rna3d/images/Circle.png0000644012664100000130000000777711213220014020074 0ustar arb_buildcoders‰PNG  IHDR@@ÝnAH pHYs.#.#x¥?v MiCCPPhotoshop ICC profilexÚSwX“÷>ß÷eVBØð±—l"#¬ÈY¢’a„@Å…ˆ VœHUÄ‚Õ Hˆâ (¸gAŠˆZ‹U\8îܧµ}zïííû×û¼çœçüÎyÏ€&‘æ¢j9R…<:ØOHÄɽ€Hà æËÂgÅðyx~t°?ü¯opÕ.$ÇáÿƒºP&W ‘à"ç RÈ.TÈȰS³d ”ly|B"ª ìôI>Ø©“ÜØ¢©™(G$@»`UR,À ¬@".À®€Y¶2G€½vŽX@`€™B,Ì 8CÍ 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N 39 G [ S 4 40 C < H 41 G < H 42 G < H 43 C < H 44 A < H 45 G < H 46 G [ S 47 C . N 48 C . N 49 U . N 50 A . N 51 A . N 52 C [ S 5 53 A < H 54 C < H 55 A . N 56 U < H 57 G < H 58 C [ S 59 A . N 60 A . N 61 G [ S 6 62 U < H 63 C < H 64 G . N 65 A . N 66 A < H 67 C < H 68 G < H 69 G < H 70 U < H 71 A . N 72 A . N 73 C < H 74 A < H 75 G < H 76 G < H 77 A < H 78 A < H 79 A < H 80 C < H 81 A < H 82 G [ S 83 C . N 84 U . N 85 U . N 86 G . N 87 C ] E 88 U > H 89 G > H 90 U > H 91 U > H 92 U > H 93 C > H 94 G . N 95 C > H 96 U > H 97 G > H 98 A > H 99 C > H 100 G . H 101 A > H 102 G > H 103 U > H 104 G > H 105 G > H 106 C ] E 107 G . N 108 G . N 109 A . N 110 C . N 111 G . N 112 G . N 113 G [ S 7 114 U < H 115 G [ S 116 A . N 117 G . N 118 U . N 119 A . N 120 A . N 121 U . N 122 G [ S 8 123 U < H 124 C < H 125 U < H 126 G < H 127 G < H 128 G < H 129 A < H 130 A . N 131 A < H 132 C < H 133 U . N 134 G . N 135 C . N 136 C < H 137 U < H 138 G < H 139 A < H 140 U < H 141 G < H 142 G [ S 143 A . N 144 G [ S 9 145 G < H 146 G < H 147 G < H 148 G < H 149 A < H 150 U < H 151 A . N 152 A . N 153 C < H 154 U < H 155 A [ S 9 156 C [ S 9 157 U < H 158 G < H 159 G . N 160 A . N 161 A . N 162 A . N 163 C > H 164 G > H 165 G ] E 166 U ] E 9 167 A > H 168 G > H 169 C . N 170 U . N 171 A . N 172 A > H 173 U > H 174 A > H 175 C > H 176 C > H 177 G > H 178 C ] E 179 A . N 180 U . N 181 A . N 182 A . N 183 C . N 184 G [ S 10 185 U < H 186 C [ S 187 G . N 188 C . N 189 A . N 190 A . N 191 G ] E 192 A > H 193 C ] E 10 194 C . N 195 A . N 196 A . N 197 A . N 198 G [ S 11 199 A < H 200 G < H 201 G < H 202 G < H 203 G < H 204 G . N 205 A . N 206 C < H 207 C [ S 208 C . N 209 U . N 210 C . N 211 G . N 212 G ] E 213 G > H 214 C > H 215 C > H 216 U > H 217 C > H 218 U > H 219 U ] E 220 G . N 221 C ] E 8 222 C > H 223 A > H 224 U > H 225 C > H 226 G > H 227 G > H 228 A . N 229 U . N 230 G > H 231 U > H 232 G > H 233 C > H 234 C > H 235 C > H 236 A > H 237 G > H 238 A > H 239 U ] E 240 G [ S 12 241 G < H 242 G < H 243 A < H 244 U < H 245 U < H 246 A < H 247 G < H 248 C < H 249 U < H 250 U . N 251 G . N 252 U < H 253 U < H 254 G < H 255 G < H 256 U < H 257 G < H 258 G < H 259 G [ S 260 G . N 261 U . N 262 A . N 263 A . N 264 C . N 265 G . N 266 G . N 267 C ] E 12 268 U > H 269 C > H 270 A > H 271 C > H 272 C > H 273 A > H 274 A > H 275 G > H 276 G > H 277 C > H 278 G > H 279 A . N 280 C . N 281 G > H 282 A > H 283 U > H 284 C > H 285 C > H 286 C ] E 287 U . N 288 A . N 289 G [ S 13 290 C < H 291 U < H 292 G < H 293 G < H 294 U < H 295 C < H 296 U [ S 297 G . N 298 A . N 299 G . N 300 A . N 301 G ] E 13 302 G > H 303 A > H 304 U > H 305 G . N 306 A . N 307 C . N 308 C > H 309 A > H 310 G > H 311 C ] E 312 C ] E 7 313 A > H 314 C ] E 315 A . N 316 C [ S 14 317 U < H 318 G < H 319 G < H 320 A < H 321 A < H 322 C [ S 323 U . N 324 G . N 325 A . N 326 G . N 327 A . N 328 C . N 329 A . N 330 C . N 331 G ] E 14 332 G > H 333 U > H 334 C > H 335 C > H 336 A > H 337 G ] E 338 A . N 339 C [ S 15 340 U < H 341 C < H 342 C [ S 343 U . N 344 A . N 345 C . N 346 G . N 347 G ] E 15 348 G > H 349 A > H 350 G ] E 351 G . N 352 C . N 353 A . N 354 G ] E 5 355 C > H 356 A > H 357 G > H 358 U > H 359 G ] E 360 G . N 361 G . N 362 G . N 363 A . N 364 A . N 365 U . N 366 A . N 367 U [ S 16 368 U . N 369 G < H 370 C < H 371 A < H 372 C . N 373 A . N 374 A . N 375 U < H 376 G < H 377 G < H 378 G < H 379 C [ S 380 G . N 381 C . N 382 A . N 383 A . N 384 G ] E 16 385 C > H 386 C > H 387 U > H 388 G > H 389 A . N 390 U > H 391 G > H 392 C > H 393 A ] E 394 G . N 395 C ] E 4 396 C > H 397 A . N 398 U > H 399 G > H 400 C > H 401 C > H 402 G > H 403 C ] E 404 G . N 405 U . N 406 G [ S 17 407 U < H 408 A < H 409 U < H 410 G < H 411 A . N 412 A . N 413 G < H 414 A < H 415 A < H 416 G < H 417 G < H 418 C < H 419 C [ S 420 U . N 421 U . N 422 C . N 423 G . N 424 G ] E 17 425 G > H 426 U > H 427 U > H 428 G > H 429 U > H 430 A > H 431 A > H 432 A . N 433 G > H 434 U > H 435 A > H 436 C ] E 437 U [ S 18 438 U < H 439 U < H 440 C < H 441 A . N 442 G < H 443 C < H 444 G < H 445 G < H 446 G < H 447 G < H 448 A < H 449 G < H 450 G < H 451 A < H 452 A < H 453 G . N 454 G < H 455 G < H 456 A < H 457 G < H 458 U < H 459 A < H 460 A < H 461 A < H 462 G [ S 463 U . N 464 U . N 465 A . N 466 A . N 467 U . N 468 A . N 469 C . N 470 C ] E 471 U > H 472 U > H 473 U > H 474 G > H 475 C > H 476 U > H 477 C > H 478 A > H 479 U > H 480 U > H 481 G . N 482 A . N 483 C > H 484 G . N 485 U > H 486 U > H 487 A > H 488 C > H 489 C > H 490 C > H 491 G > H 492 C > H 493 A . N 494 G > H 495 A > H 496 A > H 497 G ] E 498 A . N 499 A . N 500 G [ S 19 501 C < H 502 A < H 503 C < H 504 C [ S 505 G [ S 19 506 G < H 507 C [ S 508 U . N 509 A . N 510 A . N 511 C [ S 19 512 U < H 513 C < H 514 C < H 515 G < H 516 U [ S 517 G [ S 19 518 C . N 519 C . N 520 A . N 521 G [ S 19 522 C [ S 19 523 A . N 524 G ] E 19 525 C > H 526 C ] E 527 G ] E 19 528 C ] E 529 G . N 530 G . N 531 U . N 532 A . N 533 A . N 534 U ] E 19 535 A ] E 19 536 C > H 537 G > H 538 G > H 539 A > H 540 G ] E 541 G ] E 19 542 G > H 543 U > H 544 G > H 545 C ] E 546 A . N 547 A ] E 3 548 G > H 549 C > H 550 G > H 551 U > H 552 U > H 553 A > H 554 A > H 555 U > H 556 C ] E 3 557 G . N 558 G . N 559 A . N 560 A . N 561 U . N 562 U . N 563 A . N 564 C [ S 20 565 U < H 566 G < H 567 G < H 568 G < H 569 C [ S 570 G [ S 20 571 U [ S 20 572 A . N 573 A . N 574 A . N 575 G . N 576 C [ S 21 577 G < H 578 C < H 579 A < H 580 C < H 581 G . N 582 C < H 583 A < H 584 G < H 585 G < H 586 C < H 587 G [ S 588 G [ S 22 589 U < H 590 U < H 591 U < H 592 G < H 593 U < H 594 U < H 595 A . N 596 A < H 597 G < H 598 U < H 599 C < H 600 A < H 601 G < H 602 A < H 603 U < H 604 G < H 605 U < H 606 G < H 607 A . N 608 A . N 609 A . N 610 U . N 611 C . N 612 C < H 613 C < H 614 C < H 615 G < H 616 G < H 617 G [ S 618 C . N 619 U . N 620 C . N 621 A . N 622 A . N 623 C ] E 624 C > H 625 U > H 626 G > H 627 G > H 628 G > H 629 A . N 630 A . N 631 C . N 632 U > H 633 G > H 634 C > H 635 A > H 636 U > H 637 C > H 638 U > H 639 G > H 640 A . N 641 U . N 642 A > H 643 C > H 644 U > H 645 G > H 646 G > H 647 C > H 648 A > H 649 A > H 650 G > H 651 C ] E 652 U . N 653 U . N 654 G . N 655 A [ S 23 656 G < H 657 U < H 658 C < H 659 U < H 660 C < H 661 G < H 662 U < H 663 A < H 664 G . N 665 A < H 666 G < H 667 G < H 668 G < H 669 G < H 670 G < H 671 G < H 672 U [ S 673 A [ S 24 674 G < H 675 A . N 676 A < H 677 U < H 678 U < H 679 C < H 680 C < H 681 A < H 682 G < H 683 G < H 684 U < H 685 G . N 686 U . N 687 A . N 688 G < H 689 C < H 690 G [ S 691 G . N 692 U . N 693 G . N 694 A . N 695 A . N 696 A . N 697 U ] E 24 698 G > H 699 C > H 700 G . N 701 U . N 702 A . N 703 G . N 704 A . N 705 G . N 706 A > H 707 U > H 708 C > H 709 U > H 710 G > H 711 G > H 712 A > H 713 G > H 714 G > H 715 A . N 716 A > H 717 U ] E 718 A . N 719 C . N 720 C . N 721 G . N 722 G [ S 25 723 U . N 724 G . N 725 G < H 726 C [ S 727 G . N 728 A . N 729 A . N 730 G . N 731 G ] E 25 732 C > H 733 G ] E 734 G ] E 23 735 C > H 736 C > H 737 C > H 738 C > H 739 C > H 740 U > H 741 G > H 742 G > H 743 A > H 744 C > H 745 G > H 746 A . N 747 A > H 748 G > H 749 A > H 750 C > H 751 U ] E 752 G . N 753 A . N 754 C ] E 21 755 G > H 756 C > H 757 U > H 758 C > H 759 A > H 760 G . N 761 G > H 762 U > H 763 G > H 764 C > H 765 G ] E 766 A . N 767 A . N 768 A . N 769 G [ S 26 770 C < H 771 G < H 772 U < H 773 G < H 774 G < H 775 G < H 776 G . N 777 A . N 778 G . N 779 C < H 780 A . N 781 A . N 782 A . N 783 C < H 784 A < H 785 G < H 786 G [ S 787 A . N 788 U . N 789 U . N 790 A . N 791 G . N 792 A . N 793 U . N 794 A . N 795 C . N 796 C ] E 26 797 C > H 798 U > H 799 G > H 800 G . N 801 U . N 802 A . N 803 G > H 804 U > H 805 C > H 806 C > H 807 A > H 808 C > H 809 G > H 810 C ] E 811 C . N 812 G . N 813 U . N 814 A . N 815 A . N 816 A . N 817 C . N 818 G . N 819 A . N 820 U . N 821 G [ S 27 822 U < H 823 C < H 824 G < H 825 A < H 826 C < H 827 U [ S 828 U . N 829 G [ S 28 830 G < H 831 A < H 832 G < H 833 G < H 834 U < H 835 U < H 836 G < H 837 U < H 838 G < H 839 C < H 840 C [ S 841 C . N 842 U . N 843 U . N 844 G . N 845 A . N 846 G ] E 847 G > H 848 C > H 849 G > H 850 U > H 851 G > H 852 G > H 853 C > H 854 U > H 855 U > H 856 C > H 857 C ] E 858 G . N 859 G . N 860 A . N 861 G [ S 29 862 C [ S 863 U . N 864 A . N 865 A ] E 20 866 C ] E 867 G ] E 29 868 C ] E 869 G . N 870 U . N 871 U . N 872 A . N 873 A ] E 27 874 G > H 875 U > H 876 C > H 877 G > H 878 A > H 879 C ] E 880 C . N 881 G ] E 20 882 C > H 883 C > H 884 U > H 885 G > H 886 G ] E 887 G . N 888 G [ S 30 889 A < H 890 G < H 891 U [ S 892 A . N 893 C . N 894 G [ S 30 895 G < H 896 C < H 897 C [ S 898 G . N 899 C . N 900 A . N 901 A . N 902 G ] E 30 903 G > H 904 U > H 905 U ] E 906 A . N 907 A . N 908 A . N 909 A ] E 30 910 C > H 911 U > H 912 C ] E 913 A . N 914 A . N 915 A ] E 2 916 U > H 917 G > H 918 A ] E 919 A . N 920 U . N 921 U [ S 31 922 G < H 923 A < H 924 C < H 925 G < H 926 G . N 927 G < H 928 G < H 929 G < H 930 C < H 931 C < H 932 C < H 933 G [ S 934 C . N 935 A . N 936 C . N 937 A . N 938 A [ S 32 939 G < H 940 C < H 941 G < H 942 G < H 943 U [ S 944 G . N 945 G [ S 33 946 A < H 947 G < H 948 C < H 949 A < H 950 U < H 951 G < H 952 U < H 953 G < H 954 G < H 955 U [ S 956 U . N 957 U . N 958 A . N 959 A . N 960 U [ S 34 961 U < H 962 C < H 963 G [ S 964 A . N 965 U . N 966 G . N 967 C . N 968 A . N 969 A . N 970 C . N 971 G . N 972 C ] E 34 973 G > H 974 A > H 975 A ] E 976 G . N 977 A . N 978 A . N 979 C . N 980 C . N 981 U . N 982 U . N 983 A . N 984 C [ S 35 985 C < H 986 U < H 987 G < H 988 G < H 989 U < H 990 C [ S 991 U . N 992 U . N 993 G . N 994 A . N 995 C . N 996 A . N 997 U [ S 36 998 C < H 999 C < H 1000 A < H 1001 C < H 1002 G < H 1003 G [ S 1004 A . N 1005 A . N 1006 G [ S 37 1007 U < H 1008 U < H 1009 U < H 1010 U < H 1011 C < H 1012 A [ S 1013 G . N 1014 A . N 1015 G . N 1016 A . N 1017 U ] E 37 1018 G > H 1019 A > H 1020 G > H 1021 A > H 1022 A > H 1023 U ] E 1024 G . N 1025 U [ S 38 1026 G < H 1027 C < H 1028 C [ S 1029 U . N 1030 U . N 1031 C . N 1032 G . N 1033 G ] E 1034 G > H 1035 A > H 1036 A ] E 1037 C ] E 36 1038 C > H 1039 G > H 1040 U > H 1041 G > H 1042 A . N 1043 G > H 1044 A ] E 1045 C . N 1046 A [ S 39 1047 G < H 1048 G < H 1049 U . N 1050 G < H 1051 C < H 1052 U < H 1053 G . N 1054 C . N 1055 A < H 1056 U < H 1057 G < H 1058 G < H 1059 C < H 1060 U < H 1061 G < H 1062 U . N 1063 C < H 1064 G < H 1065 U < H 1066 C < H 1067 A [ S 1068 G [ S 40 1069 C < H 1070 U < H 1071 C < H 1072 G < H 1073 U [ S 1074 G [ S 41 1075 U < H 1076 U [ S 1077 G . N 1078 U . N 1079 G . N 1080 A . N 1081 A ] E 41 1082 A > H 1083 U ] E 1084 G . N 1085 U . N 1086 U [ S 42 1087 G < H 1088 G < H 1089 G [ S 1090 U . N 1091 U . N 1092 A . N 1093 A . N 1094 G . N 1095 U . N 1096 C ] E 42 1097 C > H 1098 C > H 1099 G ] E 1100 C . N 1101 A . N 1102 A ] E 40 1103 C > H 1104 G > H 1105 A > H 1106 G > H 1107 C ] E 1108 G . N 1109 C . N 1110 A . N 1111 A . N 1112 C . N 1113 C [ S 43 1114 C < H 1115 U < H 1116 U < H 1117 A [ S 1118 U [ S 44 1119 C < H 1120 C < H 1121 U < H 1122 U < H 1123 U < H 1124 G < H 1125 U . N 1126 U < H 1127 G < H 1128 C < H 1129 C [ S 1130 A . N 1131 G . N 1132 C < H 1133 G < H 1134 G < H 1135 U < H 1136 C . N 1137 C . N 1138 G . N 1139 G > H 1140 C > H 1141 C > H 1142 G > H 1143 G ] E 44 1144 G > H 1145 A > H 1146 A > H 1147 C . N 1148 U . N 1149 C > H 1150 A > H 1151 A > H 1152 A > H 1153 G > H 1154 G > H 1155 A ] E 1156 G . N 1157 A . N 1158 C . N 1159 U . N 1160 G . N 1161 C [ S 45 1162 C < H 1163 A < H 1164 G < H 1165 U [ S 1166 G . N 1167 A . N 1168 U . N 1169 A . N 1170 A . N 1171 A ] E 1172 C > H 1173 U > H 1174 G > H 1175 G ] E 1176 A . N 1177 G . N 1178 G . N 1179 A . N 1180 A . N 1181 G . N 1182 G . N 1183 U ] E 43 1184 G > H 1185 G > H 1186 G > H 1187 G ] E 1188 A . N 1189 U ] E 39 1190 G > H 1191 A > H 1192 C > H 1193 G > H 1194 U . N 1195 C > H 1196 A . N 1197 A > H 1198 G > H 1199 U > H 1200 C . N 1201 A . N 1202 U . N 1203 C > H 1204 A > H 1205 U > H 1206 G > H 1207 G > H 1208 C > H 1209 C > H 1210 C > H 1211 U ] E 1212 U . N 1213 A . N 1214 C . N 1215 G ] E 35 1216 A > H 1217 C > H 1218 C > H 1219 A > H 1220 G > H 1221 G ] E 1222 G . N 1223 C . N 1224 U . N 1225 A ] E 33 1226 C > H 1227 A . N 1228 C > H 1229 A > H 1230 C > H 1231 G > H 1232 U > H 1233 G > H 1234 C > H 1235 U > H 1236 A ] E 33 1237 C . N 1238 A . N 1239 A . N 1240 U . N 1241 G [ S 46 1242 G < H 1243 C < H 1244 G < H 1245 C < H 1246 A < H 1247 U < H 1248 A . N 1249 C . N 1250 A . N 1251 A . N 1252 A . N 1253 G < H 1254 A < H 1255 G [ S 1256 A . N 1257 A [ S 46 1258 G < H 1259 C < H 1260 G < H 1261 A < H 1262 C < H 1263 C < H 1264 U < H 1265 C [ S 1266 G . N 1267 C . N 1268 G . N 1269 A . N 1270 G ] E 46 1271 A > H 1272 G > H 1273 C > H 1274 A > H 1275 A > H 1276 G > H 1277 C > H 1278 G ] E 1279 G . N 1280 A . N 1281 C . N 1282 C ] E 46 1283 U > H 1284 C > H 1285 A . N 1286 U . N 1287 A . N 1288 A . N 1289 A . N 1290 G > H 1291 U > H 1292 G > H 1293 C > H 1294 G > H 1295 U > H 1296 C ] E 1297 G . N 1298 U . N 1299 A . N 1300 G . N 1301 U . N 1302 C . N 1303 C [ S 47 1304 G < H 1305 G < H 1306 A < H 1307 U < H 1308 U < H 1309 G < H 1310 G < H 1311 A < H 1312 G < H 1313 U < H 1314 C [ S 1315 U . N 1316 G . N 1317 C . N 1318 A . N 1319 A . N 1320 C . N 1321 U . N 1322 C . N 1323 G ] E 1324 A > H 1325 C > H 1326 U > H 1327 C > H 1328 C > H 1329 A > H 1330 U > H 1331 G > H 1332 A > H 1333 A > H 1334 G ] E 1335 U . N 1336 C . N 1337 G . N 1338 G . N 1339 A . N 1340 A ] E 32 1341 U > H 1342 C > H 1343 G > H 1344 C > H 1345 U ] E 1346 A . N 1347 G . N 1348 U . N 1349 A . N 1350 A [ S 48 1351 U < H 1352 C < H 1353 G < H 1354 U < H 1355 G < H 1356 G < H 1357 A [ S 1358 U . N 1359 C . N 1360 A . N 1361 G . N 1362 A . N 1363 A . N 1364 U . N 1365 G ] E 48 1366 C > H 1367 C > H 1368 A > H 1369 C > H 1370 G > H 1371 G > H 1372 U ] E 1373 G . N 1374 A . N 1375 A . N 1376 U . N 1377 A . N 1378 C . N 1379 G . N 1380 U . N 1381 U . N 1382 C . N 1383 C . N 1384 C ] E 31 1385 G > H 1386 G > H 1387 G > H 1388 C > H 1389 C > H 1390 U > H 1391 U > H 1392 G > H 1393 U > H 1394 A . N 1395 C > H 1396 A ] E 1397 C . N 1398 A . N 1399 C . N 1400 C . N 1401 G [ S 49 1402 C < H 1403 C . N 1404 C < H 1405 G < H 1406 U < H 1407 C < H 1408 A . N 1409 C < H 1410 A < H 1411 C < H 1412 C < H 1413 A < H 1414 U < H 1415 G < H 1416 G < H 1417 G < H 1418 A < H 1419 G < H 1420 U < H 1421 G < H 1422 G < H 1423 G < H 1424 U < H 1425 U < H 1426 G < H 1427 C < H 1428 A < H 1429 A < H 1430 A < H 1431 A . N 1432 G . N 1433 A . N 1434 A . N 1435 G < H 1436 U < H 1437 A < H 1438 G < H 1439 G < H 1440 U < H 1441 A . N 1442 G < H 1443 C < H 1444 U < H 1445 U < H 1446 A . N 1447 A . N 1448 C < H 1449 C [ S 1450 U . N 1451 U . N 1452 C . N 1453 G . N 1454 G ] E 1455 G > H 1456 A . N 1457 G > H 1458 G > H 1459 G > H 1460 C > H 1461 G > H 1462 C > H 1463 U > H 1464 U > H 1465 A > H 1466 C > H 1467 C . N 1468 A . N 1469 C . N 1470 U > H 1471 U > H 1472 U > H 1473 G > H 1474 U > H 1475 G > H 1476 A > H 1477 U > H 1478 U > H 1479 C > H 1480 A > H 1481 U > H 1482 G > H 1483 A > H 1484 C > H 1485 U > H 1486 G > H 1487 G > H 1488 G > H 1489 G > H 1490 U > H 1491 G > H 1492 A . N 1493 A . N 1494 G > H 1495 U > H 1496 C > H 1497 G > H 1498 U . N 1499 A . N 1500 A > H 1501 C ] E 1502 A . N 1503 A . N 1504 G . N 1505 G . N 1506 U [ S 50 1507 A < H 1508 A < H 1509 C < H 1510 C < H 1511 G < H 1512 U < H 1513 A < H 1514 G < H 1515 G [ S 1516 G . N 1517 G . N 1518 A . N 1519 A . N 1520 C ] E 50 1521 C > H 1522 U > H 1523 G > H 1524 C > H 1525 G > H 1526 G > H 1527 U > H 1528 U > H 1529 G ] E 1530 G . N 1531 A . N 1532 U . N 1533 C . N 1534 A . N ./arbsrc_9167/lib/rna3d/SecondaryStructureModel_23SrRNA.data0000644012664100000130000013207711213220015023547 0ustar arb_buildcoders1 G [ S 1 2 G < H 3 U < H 4 U < H 5 A < H 6 A < H 7 G < H 8 C [ S 1 9 G . N 10 A . N 11 C . N 12 U . N 13 A . N 14 A . N 15 G [ S 2 16 C < H 17 G < H 18 U < H 19 A < H 20 C < H 21 A < H 22 C < H 23 G < H 24 G [ S 2 25 U . N 26 G . N 27 G . N 28 A . N 29 U . N 30 G [ S 3 31 C < H 32 C [ S 3 33 C . N 34 U . N 35 G [ S 4 36 G < H 37 C < H 38 A < H 39 G < H 40 U < H 41 C < H 42 A < H 43 G < H 44 A < H 45 G [ S 4 46 G . N 47 C . N 48 G . N 49 A . N 50 U . N 51 G . N 52 A . N 53 A [ S 5 54 G < H 55 G < H 56 A [ S 5 57 C [ S 6 58 G < H 59 U [ S 6 60 G . N 61 C . N 62 U . N 63 A . N 64 A . N 65 U . N 66 C . N 67 U . N 68 G ] E 6 69 C > H 70 G ] E 6 71 A . N 72 U . N 73 A . N 74 A . N 75 G . N 76 C [ S 7 77 G < H 78 U < H 79 C < H 80 G < H 81 G < H 82 U . N 83 A . N 84 A . N 85 G < H 86 G < H 87 U [ S 7 88 G . N 89 A . N 90 U . N 91 A . N 92 U . N 93 G . N 94 A . N 95 A ] E 7 96 C > H 97 C > H 98 G . N 99 U . N 100 U . N 101 A . N 102 U . N 103 A . N 104 A . N 105 C > H 106 C > H 107 G > H 108 G > H 109 C > H 110 G ] E 7 111 A . N 112 U . N 113 U . N 114 U ] E 5 115 C > H 116 C > H 117 G ] E 5 118 A . N 119 A . N 120 U . N 121 G [ S 8 122 G < H 123 G [ S 8 124 G . N 125 A . N 126 A . N 127 A . N 128 C ] E 8 129 C > H 130 C ] E 8 131 A [ S 9 132 G < H 133 U < H 134 G < H 135 U < H 136 G < H 137 U < H 138 U . N 139 U . N 140 C . N 141 G . N 142 A > H 143 C > H 144 A > H 145 C > H 146 A > H 147 C > H 148 U ] E 9 149 A . N 150 U [ S 10 151 C < H 152 A < H 153 U < H 154 U < H 155 A < H 156 A < H 157 C < H 158 U < H 159 G < H 160 A < H 161 A . N 162 U . N 163 C . N 164 C . N 165 A . N 166 U > H 167 A > H 168 G > H 169 G > H 170 U > H 171 U > H 172 A > H 173 A > H 174 U > H 175 G > H 176 A ] E 10 177 G . N 178 G . N 179 C . N 180 G . N 181 A . N 182 A . N 183 C . N 184 C [ S 11 185 G < H 186 G < H 187 G < H 188 G < H 189 G . N 190 A . N 191 A . N 192 C . N 193 U . N 194 G < H 195 A [ S 11 196 A . N 197 A . N 198 C . N 199 A . N 200 U ] E 11 201 C > H 202 U . N 203 A . N 204 A . N 205 G . N 206 U . N 207 A . N 208 C > H 209 C > H 210 C > H 211 C > H 212 G ] E 11 213 A . N 214 G . N 215 G . N 216 A . N 217 A . N 218 A . N 219 A . N 220 G . N 221 A . N 222 A . N 223 A . N 224 U [ S 12 225 C < H 226 A . N 227 A . N 228 C . N 229 C . N 230 G > H 231 A ] E 12 232 G . N 233 A . N 234 U . N 235 U [ S 13 236 C < H 237 C < H 238 C < H 239 C < H 240 C . N 241 A . N 242 G . N 243 U . N 244 A . N 245 G < H 246 C [ S 13 247 G . N 248 G . N 249 C . N 250 G . N 251 A . N 252 G ] E 13 253 C > H 254 G . N 255 A . N 256 A . N 257 C . N 258 G > H 259 G > H 260 G > H 261 G > H 262 A ] E 13 263 G . N 264 C . N 265 A [ S 14 266 G < H 267 C < H 268 C [ S 14 269 C [ S 16 270 A < H 271 G < H 272 A < H 273 G < H 274 C [ S 16 275 C . N 276 U . N 277 G . N 278 A . N 279 A [ S 18 280 U < H 281 C < H 282 A < H 283 G < H 284 U < H 285 G < H 286 U < H 287 G < H 288 U < H 289 G < H 290 U < H 291 G < H 292 U < H 293 U < H 294 A . N 295 G < H 296 U < H 297 G [ S 18 298 G . N 299 A . N 300 A . N 301 G [ S 19 302 C < H 303 G < H 304 U < H 305 C [ S 19 306 U . N 307 G . N 308 G . N 309 A . N 310 A . N 311 A . N 312 G ] E 19 313 G > H 314 C > H 315 G > H 316 C ] E 19 317 G . N 318 C . N 319 G . N 320 A . N 321 U . N 322 A . N 323 C . N 324 A . N 325 G [ S 20 326 G < H 327 G [ S 20 328 U . N 329 G . N 330 A . N 331 C . N 332 A . N 333 G . N 334 C . N 335 C ] E 20 336 C > H 337 C ] E 20 338 G . N 339 U . N 340 A . N 341 C ] E 18 342 A > H 343 C > H 344 A . N 345 A . N 346 A . N 347 A > H 348 A > H 349 U > H 350 G > H 351 C > H 352 A > H 353 C > H 354 A > H 355 U > H 356 G > H 357 C > H 358 U > H 359 G > H 360 U > H 361 G ] E 18 362 A . N 363 G ] E 16 364 C > H 365 U > H 366 C > H 367 G > H 368 A . N 369 U . N 370 G ] E 16 371 A . N 372 G . N 373 U . N 374 A . N 375 G [ S 21 376 G < H 377 G < H 378 C < H 379 G < H 380 G < H 381 G < H 382 A [ S 21 383 C . N 384 A . N 385 C . N 386 G . N 387 U . N 388 G . N 389 G . N 390 U . N 391 A . N 392 U ] E 21 393 C > H 394 C > H 395 U > H 396 G > H 397 U > H 398 C > H 399 U ] E 21 400 G . N 401 A . N 402 A . N 403 U . N 404 A . N 405 U . N 406 G [ S 22 407 G < H 408 G < H 409 G < H 410 G [ S 22 411 G . N 412 A . N 413 C . N 414 C . N 415 A . N 416 U . N 417 C ] E 22 418 C > H 419 U > H 420 C > H 421 C ] E 22 422 A . N 423 A . N 424 G ] E 14 425 G > H 426 C > H 427 U ] E 14 428 A . N 429 A . N 430 A . N 431 U . N 432 A . N 433 C ] E 4 434 U > H 435 C . N 436 C > H 437 U > H 438 G > H 439 A > H 440 C > H 441 U > H 442 G > H 443 A . N 444 C > H 445 C ] E 4 446 G . N 447 A . N 448 U . N 449 A . N 450 G . N 451 U . N 452 G . N 453 A . N 454 A . N 455 C . N 456 C . N 457 A . N 458 G . N 459 U . N 460 A . N 461 C [ S 23 462 C [ S 23 463 G . N 464 U . N 465 G . N 466 A . N 467 G ] E 23 468 G ] E 23 469 G . N 470 A . N 471 A . N 472 A . N 473 G ] E 3 474 G > H 475 C ] E 3 476 G . N 477 A . N 478 A . N 479 A . N 480 A . N 481 G . N 482 A . N 483 A . N 484 C [ S 24 485 C < H 486 C < H 487 C [ S 24 488 G . N 489 G . N 490 C . N 491 G . N 492 A . N 493 G ] E 24 494 G > H 495 G > H 496 G ] E 24 497 A . N 498 G . N 499 U . N 500 G . N 501 A . N 502 A . N 503 A . N 504 A . N 505 A . N 506 G . N 507 A . N 508 A . N 509 C . N 510 C . N 511 U . N 512 G . N 513 A . N 514 A . N 515 A . N 516 C ] E 2 517 C > H 518 G > H 519 U > H 520 G > H 521 U > H 522 A > H 523 C > H 524 G > H 525 U ] E 2 526 A . N 527 C . N 528 A . N 529 A . N 530 G . N 531 C . N 532 A . N 533 G [ S 25 534 U < H 535 G < H 536 G < H 537 G < H 538 A < H 539 G < H 540 C < H 541 A < H 542 C < H 543 G < H 544 C < H 545 U . N 546 U . N 547 A . N 548 G . N 549 G > H 550 C > H 551 G > H 552 U > H 553 G > H 554 U > H 555 G > H 556 A > H 557 C > H 558 U > H 559 G > H 560 C ] E 25 561 G . N 562 U . N 563 A [ S 26 564 C < H 565 C < H 566 U [ S 26 567 U . N 568 U . N 569 U . N 570 G . N 571 U . N 572 A . N 573 U . N 574 A . N 575 A ] E 26 576 U > H 577 G > H 578 G ] E 26 579 G [ S 26 580 U < H 581 C < H 582 A < H 583 G < H 584 C [ S 26 585 G . N 586 A . N 587 C . N 588 U . N 589 U [ S 27 590 A < H 591 U < H 592 A < H 593 U < H 594 U < H 595 C < H 596 U < H 597 G < H 598 U < H 599 A < H 600 G < H 601 C [ S 27 602 A . N 603 A . N 604 G [ S 28 605 G < H 606 U < H 607 U < H 608 A < H 609 A < H 610 C < H 611 C < H 612 G < H 613 A . N 614 A . N 615 U . N 616 A > H 617 G > H 618 G > H 619 G > H 620 G > H 621 A > H 622 G > H 623 C > H 624 C ] E 28 625 G . N 626 A . N 627 A . N 628 G [ S 29 629 G [ S 29 630 G . N 631 A . N 632 A . N 633 A . N 634 C ] E 29 635 C ] E 29 636 G . N 637 A [ S 31 638 G < H 639 U < H 640 C < H 641 U < H 642 U < H 643 A . N 644 A . N 645 C . N 646 U > H 647 G > H 648 G > H 649 G > H 650 C > H 651 G ] E 31 652 U . N 653 U . N 654 A . N 655 A . N 656 G ] E 27 657 U > H 658 U > H 659 G > H 660 C > H 661 A > H 662 G > H 663 G > H 664 G > H 665 U > H 666 A > H 667 U > H 668 A ] E 27 669 G . N 670 A . N 671 C [ S 31 672 C < H 673 C . N 674 G [ S 31 675 A . N 676 A . N 677 A . N 678 C [ S 32 679 C < H 680 C < H 681 G < H 682 G < H 683 U [ S 32 684 G . N 685 A . N 686 U . N 687 C [ S 33 688 U < H 689 A < H 690 G < H 691 C < H 692 C < H 693 A < H 694 U < H 695 G < H 696 G < H 697 G < H 698 C [ S 33 699 A . N 700 G [ S 34 701 G < H 702 U < H 703 U < H 704 G . N 705 A . N 706 A . N 707 G < H 708 G < H 709 U < H 710 U < H 711 G < H 712 G < H 713 G [ S 34 714 U . N 715 A . N 716 A . N 717 C . N 718 A ] E 34 719 C > H 720 U > H 721 A > H 722 A > H 723 C > H 724 U > H 725 G . N 726 G . N 727 A . N 728 G . N 729 G > H 730 A > H 731 C > H 732 C ] E 34 733 G . N 734 A . N 735 A . N 736 C [ S 35 737 C < H 738 G < H 739 A . N 740 C < H 741 U < H 742 A < H 743 A < H 744 U [ S 35 745 G . N 746 U . N 747 U . N 748 G . N 749 A . N 750 A . N 751 A . N 752 A . N 753 A ] E 35 754 U > H 755 U > H 756 A > H 757 G > H 758 C > H 759 G > H 760 G ] E 35 761 A . N 762 U . N 763 G ] E 33 764 A . N 765 C > H 766 U > H 767 U . N 768 G > H 769 U > H 770 G > H 771 G > H 772 C > H 773 U > H 774 G > H 775 G ] E 33 776 G . N 777 G [ S 35 778 G < H 779 U [ S 35 780 G . N 781 A . N 782 A . N 783 A . N 784 G . N 785 G ] E 35 786 C > H 787 C ] E 35 788 A . N 789 A . N 790 U . N 791 C . N 792 A . N 793 A . N 794 A ] E 32 795 C > H 796 C > H 797 G > H 798 G > H 799 G ] E 32 800 A . N 801 G . N 802 A . N 803 U . N 804 A . N 805 G . N 806 C ] E 31 807 U . N 808 G > H 809 G ] E 31 810 U . N 811 U . N 812 C [ S 36 813 U < H 814 C < H 815 C < H 816 C < H 817 C [ S 36 818 G . N 819 A . N 820 A . N 821 A . N 822 G [ S 37 823 C < H 824 U < H 825 A < H 826 U [ S 37 827 U . N 828 U . N 829 A . N 830 G . N 831 G ] E 37 832 U > H 833 A > H 834 G > H 835 C ] E 37 836 G . N 837 C . N 838 C [ S 38 839 U < H 840 C < H 841 G < H 842 U < H 843 G < H 844 A [ S 38 845 A . N 846 U . N 847 U . N 848 C [ S 38 849 A < H 850 U < H 851 C < H 852 U < H 853 C < H 854 C < H 855 G < H 856 G < H 857 G < H 858 G < H 859 G < H 860 U < H 861 A < H 862 G < H 863 A < H 864 G . N 865 C . N 866 A . N 867 C . N 868 U < H 869 G < H 870 U < H 871 U . N 872 U < H 873 C < H 874 G < H 875 G < H 876 C . N 877 A . N 878 A . N 879 G < H 880 G < H 881 G < H 882 G < H 883 G < H 884 U < H 885 C [ S 38 886 A . N 887 U . N 888 C . N 889 C . N 890 C . N 891 G ] E 38 892 A > H 893 C > H 894 U > H 895 U > H 896 A . N 897 C > H 898 C > H 899 A . N 900 A . N 901 C . N 902 C > H 903 C > H 904 G > H 905 A > H 906 U . N 907 G > H 908 C > H 909 A > H 910 A . N 911 A . N 912 C . N 913 U > H 914 G . N 915 C > H 916 G > H 917 A > H 918 A > H 919 U > H 920 A > H 921 C > H 922 C > H 923 G > H 924 G > H 925 A > H 926 G > H 927 A . N 928 A > H 929 U > H 930 G ] E 38 931 U . N 932 U . N 933 A . N 934 U ] E 38 935 C > H 936 A > H 937 C > H 938 G > H 939 G > H 940 G ] E 38 941 A . N 942 G . N 943 A . N 944 C . N 945 A . N 946 C [ S 39 947 A < H 948 C < H 949 G < H 950 G < H 951 C < H 952 G < H 953 G < H 954 G < H 955 U [ S 39 956 G . N 957 C . N 958 U . N 959 A . N 960 A . N 961 C . N 962 G ] E 39 963 U > H 964 C > H 965 C > H 966 G > H 967 U > H 968 C > H 969 G > H 970 U > H 971 G ] E 39 972 A . N 973 A . N 974 G . N 975 A . N 976 G [ S 40 977 G < H 978 G [ S 40 979 A . N 980 A . N 981 A . N 982 C . N 983 A . N 984 A . N 985 C ] E 40 986 C > H 987 C ] E 40 988 A . N 989 G . N 990 A . N 991 C [ S 41 992 C < H 993 G < H 994 C < H 995 C . N 996 A < H 997 G < H 998 C < H 999 U . N 1000 A . N 1001 A . N 1002 G < H 1003 G < H 1004 U [ S 41 1005 C . N 1006 C [ S 41 1007 C [ S 41 1008 A . N 1009 A . N 1010 A . N 1011 G [ S 41 1012 U . N 1013 C < H 1014 A < H 1015 U < H 1016 G < H 1017 G < H 1018 U < H 1019 U [ S 41 1020 A . N 1021 A . N 1022 G . N 1023 U . N 1024 G . N 1025 G . N 1026 G . N 1027 A . N 1028 A . N 1029 A . N 1030 C [ S 42 1031 G < H 1032 A < H 1033 U . N 1034 G < H 1035 U < H 1036 G < H 1037 G < H 1038 G < H 1039 A < H 1040 A < H 1041 G < H 1042 G < H 1043 C < H 1044 C . N 1045 C . N 1046 A . N 1047 G . N 1048 A . N 1049 C . N 1050 A . N 1051 G < H 1052 C < H 1053 C < H 1054 A [ S 42 1055 G . N 1056 G . N 1057 A [ S 43 1058 U < H 1059 G < H 1060 U . N 1061 U . N 1062 G < H 1063 G < H 1064 C [ S 43 1065 U . N 1066 U . N 1067 A . N 1068 G . N 1069 A . N 1070 A . N 1071 G . N 1072 C . N 1073 A . N 1074 G ] E 43 1075 C > H 1076 C > H 1077 A . N 1078 U . N 1079 C > H 1080 A > H 1081 U ] E 43 1082 U [ S 43 1083 U . N 1084 A . N 1085 A . N 1086 A ] E 43 1087 G [ S 44 1088 A . N 1089 A . N 1090 A < H 1091 G < H 1092 C [ S 44 1093 G . N 1094 U . N 1095 A . N 1096 A . N 1097 U . N 1098 A . N 1099 G ] E 44 1100 C > H 1101 U > H 1102 C ] E 44 1103 A . N 1104 C . N 1105 U ] E 42 1106 G > H 1107 G > H 1108 U > H 1109 C . N 1110 G . N 1111 A . N 1112 G > H 1113 U > H 1114 C > H 1115 G > H 1116 G > H 1117 C > H 1118 C > H 1119 U > H 1120 G > H 1121 C > H 1122 G > H 1123 C > H 1124 G ] E 42 1125 G . N 1126 A . N 1127 A . N 1128 G . N 1129 A . N 1130 U . N 1131 G . N 1132 U . N 1133 A . N 1134 A . N 1135 C . N 1136 G ] E 41 1137 G ] E 41 1138 G . N 1139 G . N 1140 C . N 1141 U . N 1142 A . N 1143 A ] E 41 1144 A > H 1145 C > H 1146 C > H 1147 A > H 1148 U > H 1149 G > H 1150 C ] E 41 1151 A ] E 41 1152 C > H 1153 C > H 1154 G . N 1155 A . N 1156 A . N 1157 G > H 1158 C > H 1159 U > H 1160 G > H 1161 C > H 1162 G > H 1163 G ] E 41 1164 C [ S 45 1165 A < H 1166 G < H 1167 C < H 1168 G < H 1169 A < H 1170 C < H 1171 G < H 1172 C < H 1173 U . N 1174 U . N 1175 A . N 1176 U . N 1177 G > H 1178 C > H 1179 G > H 1180 U > H 1181 U > H 1182 G > H 1183 U > H 1184 U > H 1185 G ] E 45 1186 G . N 1187 G . N 1188 U . N 1189 A . N 1190 G ] E 36 1191 G > H 1192 G > H 1193 G > H 1194 A > H 1195 G ] E 36 1196 C . N 1197 G . N 1198 U [ S 46 1199 U < H 1200 C < H 1201 U < H 1202 G < H 1203 U . N 1204 A . N 1205 A . N 1206 G < H 1207 C < H 1208 C < H 1209 U [ S 46 1210 G . N 1211 C . N 1212 G . N 1213 A . N 1214 A . N 1215 G [ S 46 1216 G < H 1217 U < H 1218 G < H 1219 U < H 1220 G < H 1221 C < H 1222 U [ S 46 1223 G . N 1224 U . N 1225 G . N 1226 A . N 1227 G ] E 46 1228 G > H 1229 C > H 1230 A > H 1231 U > H 1232 G > H 1233 C > H 1234 U ] E 46 1235 G . N 1236 G . N 1237 A ] E 46 1238 G > H 1239 G > H 1240 U > H 1241 A . N 1242 U . N 1243 C > H 1244 A > H 1245 G > H 1246 A > H 1247 A ] E 46 1248 G . N 1249 U . N 1250 G . N 1251 C . N 1252 G . N 1253 A . N 1254 A . N 1255 U . N 1256 G ] E 26 1257 C > H 1258 U > H 1259 G > H 1260 A > H 1261 C ] E 26 1262 A . N 1263 U . N 1264 A . N 1265 A . N 1266 G . N 1267 U . N 1268 A . N 1269 A . N 1270 C . N 1271 G . N 1272 A . N 1273 U . N 1274 A . N 1275 A . N 1276 A [ S 47 1277 G < H 1278 C < H 1279 G < H 1280 G < H 1281 G < H 1282 U . N 1283 G . N 1284 A . N 1285 A . N 1286 A . N 1287 A . N 1288 G . N 1289 C > H 1290 C > H 1291 C > H 1292 G > H 1293 C > H 1294 U ] E 47 1295 C [ S 48 1296 G < H 1297 C < H 1298 C [ S 48 1299 G . N 1300 G . N 1301 A . N 1302 A . N 1303 G [ S 49 1304 A < H 1305 C < H 1306 C [ S 49 1307 A . N 1308 A . N 1309 G [ S 49 1310 G < H 1311 G . N 1312 U . N 1313 U [ S 49 1314 C [ S 50 1315 C < H 1316 U < H 1317 G < H 1318 U < H 1319 C < H 1320 C . N 1321 A . N 1322 A . N 1323 C < H 1324 G [ S 50 1325 U . N 1326 U . N 1327 A . N 1328 A . N 1329 U . N 1330 C ] E 50 1331 G > H 1332 G . N 1333 G > H 1334 G > H 1335 C > H 1336 A > H 1337 G > H 1338 G ] E 50 1339 G . N 1340 U . N 1341 G . N 1342 A . N 1343 G . N 1344 U . N 1345 C [ S 51 1346 G < H 1347 A [ S 51 1348 C . N 1349 C . N 1350 C [ S 52 1351 C < H 1352 U . N 1353 A . N 1354 A . N 1355 G < H 1356 G [ S 52 1357 C [ S 52 1358 G < H 1359 A < H 1360 G . N 1361 G < H 1362 C < H 1363 C [ S 52 1364 G . N 1365 A . N 1366 A . N 1367 A . N 1368 G ] E 52 1369 G > H 1370 C > H 1371 G . N 1372 U > H 1373 A > H 1374 G ] E 52 1375 U ] E 52 1376 C > H 1377 G . N 1378 A . N 1379 U . N 1380 G > H 1381 G ] E 52 1382 G . N 1383 A . N 1384 A . N 1385 A [ S 53 1386 C < H 1387 A < H 1388 G < H 1389 G [ S 53 1390 U . N 1391 U . N 1392 A . N 1393 A . N 1394 U . N 1395 A . N 1396 U . N 1397 U . N 1398 C ] E 53 1399 C > H 1400 U > H 1401 G > H 1402 U ] E 53 1403 A . N 1404 C . N 1405 U [ S 54 1406 U < H 1407 G < H 1408 G < H 1409 U < H 1410 G < H 1411 U < H 1412 U < H 1413 A < H 1414 C < H 1415 U [ S 54 1416 G . N 1417 C . N 1418 G . N 1419 A . N 1420 A [ S 55 1421 G < H 1422 G < H 1423 G < H 1424 G [ S 55 1425 G . N 1426 G . N 1427 A . N 1428 C . N 1429 G [ S 56 1430 G < H 1431 A < H 1432 G < H 1433 A . N 1434 A < H 1435 G < H 1436 G < H 1437 C < H 1438 U . N 1439 A . N 1440 U < H 1441 G < H 1442 U < H 1443 U < H 1444 G [ S 56 1445 G . N 1446 C [ S 57 1447 C < H 1448 G < H 1449 G < H 1450 G < H 1451 C < H 1452 G < H 1453 A < H 1454 C . N 1455 G . N 1456 G . N 1457 U > H 1458 U > H 1459 G > H 1460 U . N 1461 C > H 1462 C > H 1463 C > H 1464 G > H 1465 G ] E 57 1466 U . N 1467 U [ S 58 1468 U < H 1469 A < H 1470 A . N 1471 G < H 1472 C < H 1473 G < H 1474 U < H 1475 G < H 1476 U < H 1477 A . N 1478 G < H 1479 G < H 1480 C < H 1481 U < H 1482 G < H 1483 G < H 1484 U < H 1485 U [ S 58 1486 U [ S 58 1487 U < H 1488 C < H 1489 C < H 1490 A . N 1491 G < H 1492 G [ S 58 1493 C . N 1494 A . N 1495 A . N 1496 A . N 1497 U . N 1498 C ] E 58 1499 C > H 1500 G > H 1501 G > H 1502 A > H 1503 A ] E 58 1504 A ] E 58 1505 A > H 1506 U > H 1507 C > H 1508 A > H 1509 A . N 1510 G . N 1511 G > H 1512 C > H 1513 U > H 1514 G > H 1515 A > H 1516 G . N 1517 G > H 1518 C > H 1519 G > H 1520 U > H 1521 G . N 1522 A . N 1523 U > H 1524 G > H 1525 A ] E 58 1526 C . N 1527 G [ S 59 1528 A < H 1529 G < H 1530 G < H 1531 C < H 1532 A < H 1533 C [ S 59 1534 U . N 1535 A . N 1536 C . N 1537 G . N 1538 G ] E 59 1539 U > H 1540 G > H 1541 C > H 1542 U > H 1543 G > H 1544 A ] E 59 1545 A . N 1546 G . N 1547 C ] E 56 1548 A > H 1549 A > H 1550 C > H 1551 A > H 1552 A . N 1553 A . N 1554 U . N 1555 G > H 1556 C > H 1557 C > H 1558 C . N 1559 U . N 1560 G > H 1561 C > H 1562 U > H 1563 U > H 1564 C ] E 56 1565 C . N 1566 A . N 1567 G . N 1568 G . N 1569 A . N 1570 A . N 1571 A . N 1572 A . N 1573 G . N 1574 C ] E 55 1575 C > H 1576 U > H 1577 C > H 1578 U ] E 55 1579 A . N 1580 A . N 1581 G . N 1582 C . N 1583 A . N 1584 U . N 1585 C . N 1586 A . N 1587 G ] E 54 1588 G > H 1589 U > H 1590 A > H 1591 A > H 1592 C > H 1593 A > H 1594 U > H 1595 C > H 1596 A > H 1597 A ] E 54 1598 A . N 1599 U ] E 51 1600 C > H 1601 G ] E 51 1602 U . N 1603 A ] E 49 1604 C > H 1605 C ] E 49 1606 C . N 1607 C . N 1608 A . N 1609 A . N 1610 A . N 1611 C . N 1612 C . N 1613 G . N 1614 A . N 1615 C . N 1616 A . N 1617 C . N 1618 A . N 1619 G . N 1620 G . N 1621 U . N 1622 G ] E 49 1623 G > H 1624 U > H 1625 C ] E 49 1626 A . N 1627 G [ S 60 1628 G < H 1629 U < H 1630 A [ S 60 1631 G . N 1632 A . N 1633 G . N 1634 A . N 1635 A . N 1636 U ] E 60 1637 A > H 1638 C > H 1639 C ] E 60 1640 A . N 1641 A . N 1642 G ] E 48 1643 G > H 1644 C > H 1645 G ] E 48 1646 C . N 1647 U . N 1648 U [ S 61 1649 G < H 1650 A < H 1651 G < H 1652 A . N 1653 G . N 1654 A . N 1655 A . N 1656 C < H 1657 U < H 1658 C < H 1659 G < H 1660 G < H 1661 G < H 1662 U < H 1663 G < H 1664 A . N 1665 A < H 1666 G < H 1667 G [ S 61 1668 A . N 1669 A . N 1670 C . N 1671 U . N 1672 A . N 1673 G . N 1674 G . N 1675 C . N 1676 A . N 1677 A . N 1678 A . N 1679 A . N 1680 U . N 1681 G . N 1682 G [ S 62 1683 U < H 1684 G < H 1685 C < H 1686 C < H 1687 G < H 1688 U . N 1689 A . N 1690 A < H 1691 C [ S 62 1692 U . N 1693 U . N 1694 C . N 1695 G . N 1696 G ] E 62 1697 G > H 1698 A . N 1699 G . N 1700 A . N 1701 A > H 1702 G > H 1703 G > H 1704 C > H 1705 A > H 1706 C ] E 62 1707 G [ S 63 1708 C < H 1709 U < H 1710 G < H 1711 A < H 1712 U < H 1713 A . N 1714 U < H 1715 G . N 1716 U < H 1717 A < H 1718 G < H 1719 G < H 1720 U < H 1721 G < H 1722 A < H 1723 G < H 1724 G < H 1725 U < H 1726 C < H 1727 C < H 1728 C . N 1729 U . N 1730 C . N 1731 G . N 1732 C . N 1733 G > H 1734 G > H 1735 A > H 1736 U > H 1737 G > H 1738 G > H 1739 A > H 1740 G > H 1741 C > H 1742 U > H 1743 G > H 1744 A > H 1745 A > H 1746 A > H 1747 U > H 1748 C > H 1749 A > H 1750 G > H 1751 U ] E 63 1752 C . N 1753 G . N 1754 A . N 1755 A . N 1756 G . N 1757 A . N 1758 U . N 1759 A . N 1760 C . N 1761 C . N 1762 A . N 1763 G . N 1764 C [ S 64 1765 U < H 1766 G < H 1767 G < H 1768 C < H 1769 U < H 1770 G < H 1771 C < H 1772 A [ S 64 1773 A . N 1774 C . N 1775 U [ S 65 1776 G < H 1777 U < H 1778 U < H 1779 U [ S 65 1780 A . N 1781 U . N 1782 U . N 1783 A . N 1784 A . N 1785 A ] E 65 1786 A > H 1787 A > H 1788 C > H 1789 A ] E 65 1790 C . N 1791 A . N 1792 G [ S 66 1793 C < H 1794 A < H 1795 C < H 1796 U < H 1797 G < H 1798 U < H 1799 G < H 1800 C < H 1801 A . N 1802 A . N 1803 A . N 1804 C < H 1805 A < H 1806 C [ S 66 1807 G . N 1808 A . N 1809 A . N 1810 A . N 1811 G ] E 66 1812 U > H 1813 G > H 1814 G . N 1815 A . N 1816 C . N 1817 G > H 1818 U . N 1819 A . N 1820 U > H 1821 A > H 1822 C > H 1823 G > H 1824 G > H 1825 U > H 1826 G > H 1827 U ] E 66 1828 G . N 1829 A . N 1830 C [ S 67 1831 G < H 1832 C < H 1833 C [ S 67 1834 U . N 1835 G [ S 68 1836 C < H 1837 C < H 1838 C . N 1839 G . N 1840 G < H 1841 U < H 1842 G < H 1843 C < H 1844 C < H 1845 G < H 1846 G < H 1847 A . N 1848 A . N 1849 G < H 1850 G < H 1851 U < H 1852 U < H 1853 A . N 1854 A . N 1855 U < H 1856 U < H 1857 G < H 1858 A < H 1859 U < H 1860 G < H 1861 G < H 1862 G < H 1863 G < H 1864 U < H 1865 U < H 1866 A < H 1867 G < H 1868 C < H 1869 G . N 1870 C . N 1871 A . N 1872 A . N 1873 G > H 1874 C > H 1875 G > H 1876 A . N 1877 A > H 1878 G > H 1879 C > H 1880 U > H 1881 C > H 1882 U > H 1883 U > H 1884 G > H 1885 A > H 1886 U > H 1887 C > H 1888 G . N 1889 A . N 1890 A > H 1891 G > H 1892 C > H 1893 C > H 1894 C > H 1895 C > H 1896 G > H 1897 G > H 1898 U > H 1899 A . N 1900 A . N 1901 A > H 1902 C > H 1903 G > H 1904 G > H 1905 C ] E 68 1906 G [ S 69 1907 G < H 1908 C < H 1909 C < H 1910 G < H 1911 U [ S 69 1912 A . N 1913 A . N 1914 C . N 1915 U . N 1916 A . N 1917 U . N 1918 A . N 1919 A ] E 69 1920 C > H 1921 G > H 1922 G > H 1923 U > H 1924 C ] E 69 1925 C . N 1926 U . N 1927 A . N 1928 A . N 1929 G . N 1930 G . N 1931 U . N 1932 A . N 1933 G . N 1934 C . N 1935 G . N 1936 A . N 1937 A . N 1938 A . N 1939 U . N 1940 U . N 1941 C . N 1942 C . N 1943 U . N 1944 U . N 1945 G [ S 71 1946 U < H 1947 C < H 1948 G < H 1949 G < H 1950 G [ S 71 1951 U . N 1952 A . N 1953 A . N 1954 G . N 1955 U . N 1956 U ] E 71 1957 C > H 1958 C > H 1959 G > H 1960 A > H 1961 C ] E 71 1962 C . N 1963 U . N 1964 G . N 1965 C . N 1966 A . N 1967 C . N 1968 G . N 1969 A . N 1970 A . N 1971 U . N 1972 G ] E 67 1973 G > H 1974 C > H 1975 G ] E 67 1976 U . N 1977 A . N 1978 A . N 1979 U ] E 64 1980 G > H 1981 A . N 1982 U > H 1983 G > H 1984 G > H 1985 C > H 1986 C > H 1987 A > H 1988 G ] E 64 1989 G . N 1990 C . N 1991 U . N 1992 G . N 1993 U ] E 61 1994 C > H 1995 U > H 1996 C . N 1997 C > H 1998 A > H 1999 C > H 2000 C > H 2001 C > H 2002 G > H 2003 A > H 2004 G > H 2005 A . N 2006 C > H 2007 U > H 2008 C > H 2009 A ] E 61 2010 G . N 2011 U . N 2012 G . N 2013 A . N 2014 A . N 2015 A . N 2016 U . N 2017 U . N 2018 G . N 2019 A . N 2020 A . N 2021 C . N 2022 U . N 2023 C [ S 72 2024 G < H 2025 C < H 2026 U < H 2027 G [ S 72 2028 U . N 2029 G . N 2030 A . N 2031 A . N 2032 G . N 2033 A . N 2034 U . N 2035 G . N 2036 C ] E 72 2037 A > H 2038 G > H 2039 U > H 2040 G ] E 72 2041 U . N 2042 A . N 2043 C [ S 73 2044 C < H 2045 C < H 2046 G < H 2047 C < H 2048 G < H 2049 G < H 2050 C < H 2051 A . N 2052 A < H 2053 G < H 2054 A < H 2055 C . N 2056 G < H 2057 G [ S 73 2058 A . N 2059 A . N 2060 A . N 2061 G . N 2062 A . N 2063 C [ S 74 2064 C < H 2065 C < H 2066 C < H 2067 G < H 2068 U . N 2069 G < H 2070 A < H 2071 A < H 2072 C < H 2073 C < H 2074 U < H 2075 U [ S 74 2076 U . N 2077 A [ S 75 2078 C < H 2079 U < H 2080 A < H 2081 U < H 2082 A < H 2083 G < H 2084 C < H 2085 U < H 2086 U . N 2087 G < H 2088 A < H 2089 C < H 2090 A [ S 75 2091 C . N 2092 U . N 2093 G [ S 76 2094 A < H 2095 A < H 2096 C < H 2097 A < H 2098 U < H 2099 U < H 2100 G < H 2101 A < H 2102 G < H 2103 C < H 2104 C . N 2105 U < H 2106 U < H 2107 G < H 2108 A [ S 76 2109 U . N 2110 G . N 2111 U . N 2112 G . N 2113 U . N 2114 A . N 2115 G . N 2116 G . N 2117 A . N 2118 U . N 2119 A . N 2120 G [ S 77 2121 G < H 2122 U < H 2123 G < H 2124 G [ S 77 2125 G . N 2126 A . N 2127 G [ S 78 2128 G < H 2129 C < H 2130 U < H 2131 U . N 2132 U < H 2133 G . N 2134 A . N 2135 A . N 2136 G < H 2137 U < H 2138 G < H 2139 U < H 2140 G < H 2141 G < H 2142 A < H 2143 C [ S 78 2144 G . N 2145 C . N 2146 C . N 2147 A . N 2148 G ] E 78 2149 U > H 2150 C > H 2151 U > H 2152 G > H 2153 C > H 2154 A > H 2155 U > H 2156 G . N 2157 G > H 2158 A > H 2159 G > H 2160 C > H 2161 C ] E 78 2162 G . N 2163 A . N 2164 C . N 2165 C . N 2166 U . N 2167 U . N 2168 G . N 2169 A . N 2170 A . N 2171 A . N 2172 U . N 2173 A . N 2174 C ] E 77 2175 C > H 2176 A > H 2177 C > H 2178 C ] E 77 2179 C . N 2180 U . N 2181 U ] E 76 2182 U > H 2183 A > H 2184 A > H 2185 U . N 2186 G > H 2187 U > H 2188 U > H 2189 U > H 2190 G > H 2191 A > H 2192 U > H 2193 G > H 2194 U > H 2195 U > H 2196 C ] E 76 2197 U . N 2198 A . N 2199 A . N 2200 C [ S 79 2201 G < H 2202 U < H 2203 U . N 2204 G < H 2205 A < H 2206 C < H 2207 C < H 2208 C < H 2209 G < H 2210 U . N 2211 A . N 2212 A . N 2213 U . N 2214 C . N 2215 C > H 2216 G > H 2217 G > H 2218 G > H 2219 U > H 2220 U > H 2221 G > H 2222 C > H 2223 G ] E 79 2224 G . N 2225 A . N 2226 C . N 2227 A . N 2228 G . N 2229 U ] E 75 2230 G > H 2231 U > H 2232 C > H 2233 U . N 2234 G > H 2235 G > H 2236 U > H 2237 G > H 2238 G . N 2239 G > H 2240 U > H 2241 A > H 2242 G > H 2243 U ] E 75 2244 U . N 2245 U . N 2246 G [ S 80 2247 A < H 2248 C < H 2249 U < H 2250 G [ S 80 2251 G . N 2252 G . N 2253 G . N 2254 C ] E 80 2255 G > H 2256 G > H 2257 U > H 2258 C ] E 80 2259 U [ S 81 2260 C < H 2261 C < H 2262 U < H 2263 C < H 2264 C [ S 81 2265 U . N 2266 A . N 2267 A . N 2268 A . N 2269 G . N 2270 A . N 2271 G . N 2272 U . N 2273 A . N 2274 A . N 2275 C . N 2276 G ] E 81 2277 G > H 2278 A > H 2279 G > H 2280 G > H 2281 A ] E 81 2282 G . N 2283 C . N 2284 A [ S 82 2285 C [ S 82 2286 G . N 2287 A . N 2288 A [ S 83 2289 G < H 2290 G < H 2291 U < H 2292 U < H 2293 G < H 2294 G < H 2295 C [ S 83 2296 U [ S 84 2297 A < H 2298 A . N 2299 U < H 2300 C < H 2301 C < H 2302 U < H 2303 G < H 2304 G [ S 84 2305 U . N 2306 C . N 2307 G . N 2308 G . N 2309 A . N 2310 C . N 2311 A . N 2312 U ] E 84 2313 C > H 2314 A > H 2315 G > H 2316 G > H 2317 A > H 2318 G . N 2319 G . N 2320 U . N 2321 U > H 2322 A ] E 84 2323 G [ S 85 2324 U [ S 85 2325 G . N 2326 C . N 2327 A . N 2328 A . N 2329 U . N 2330 G . N 2331 G ] E 85 2332 C ] E 85 2333 A . N 2334 U . N 2335 A . N 2336 A . N 2337 G ] E 83 2338 C > H 2339 C > H 2340 A > H 2341 G > H 2342 C > H 2343 U > H 2344 U ] E 83 2345 G . N 2346 A . N 2347 C [ S 86 2348 U < H 2349 G < H 2350 C < H 2351 G < H 2352 A < H 2353 G < H 2354 C < H 2355 G [ S 86 2356 U . N 2357 G . N 2358 A . N 2359 C . N 2360 G . N 2361 G . N 2362 C ] E 86 2363 G > H 2364 C > H 2365 G > H 2366 A > H 2367 G > H 2368 C > H 2369 A > H 2370 G ] E 86 2371 G . N 2372 U [ S 87 2373 G < H 2374 C [ S 87 2375 G . N 2376 A . N 2377 A . N 2378 A . N 2379 G ] E 87 2380 C > H 2381 A ] E 87 2382 G . N 2383 G ] E 82 2384 U ] E 82 2385 C . N 2386 A . N 2387 U . N 2388 A . N 2389 G . N 2390 U . N 2391 G . N 2392 A . N 2393 U . N 2394 C . N 2395 C [ S 88 2396 G < H 2397 G < H 2398 U < H 2399 G < H 2400 G < H 2401 U < H 2402 U . N 2403 C < H 2404 U < H 2405 G [ S 88 2406 A . N 2407 A . N 2408 U . N 2409 G . N 2410 G . N 2411 A . N 2412 A ] E 88 2413 G > H 2414 G > H 2415 G > H 2416 C > H 2417 C > H 2418 A > H 2419 U > H 2420 C > H 2421 G ] E 88 2422 C . N 2423 U . N 2424 C . N 2425 A . N 2426 A . N 2427 C . N 2428 G . N 2429 G . N 2430 A . N 2431 U . N 2432 A . N 2433 A . N 2434 A ] E 74 2435 A > H 2436 G > H 2437 G > H 2438 U > H 2439 A . N 2440 C . N 2441 U > H 2442 C > H 2443 C > H 2444 G > H 2445 G > H 2446 G > H 2447 G ] E 74 2448 A . N 2449 U . N 2450 A . N 2451 A . N 2452 C . N 2453 A . N 2454 G . N 2455 G [ S 89 2456 C < H 2457 U < H 2458 G . N 2459 A < H 2460 U < H 2461 A < H 2462 C < H 2463 C < H 2464 G < H 2465 C < H 2466 C < H 2467 C . N 2468 A . N 2469 A . N 2470 G < H 2471 A [ S 89 2472 G . N 2473 U . N 2474 U . N 2475 C . N 2476 A . N 2477 U . N 2478 A . N 2479 U ] E 89 2480 C > H 2481 G . N 2482 A . N 2483 C . N 2484 G > H 2485 G > H 2486 C > H 2487 G > H 2488 G > H 2489 U > H 2490 G > H 2491 U > H 2492 U . N 2493 U . N 2494 G > H 2495 G > H 2496 C ] E 89 2497 A . N 2498 C . N 2499 C . N 2500 U . N 2501 C . N 2502 G . N 2503 A . N 2504 U . N 2505 G . N 2506 U [ S 90 2507 C < H 2508 G < H 2509 G < H 2510 C < H 2511 U < H 2512 C < H 2513 A < H 2514 U < H 2515 C < H 2516 A < H 2517 C [ S 90 2518 A . N 2519 U . N 2520 C [ S 91 2521 C < H 2522 U < H 2523 G < H 2524 G < H 2525 G < H 2526 G < H 2527 C < H 2528 U [ S 91 2529 G . N 2530 A . N 2531 A . N 2532 G . N 2533 U . N 2534 A . N 2535 G ] E 91 2536 G > H 2537 U > H 2538 C > H 2539 C > H 2540 C > H 2541 A > H 2542 A . N 2543 G . N 2544 G > H 2545 G ] E 91 2546 U . N 2547 A [ S 92 2548 U < H 2549 G < H 2550 G < H 2551 C [ S 92 2552 U . N 2553 G . N 2554 U . N 2555 U . N 2556 C . N 2557 G ] E 92 2558 C > H 2559 C > H 2560 A > H 2561 U ] E 92 2562 U . N 2563 U . N 2564 A . N 2565 A . N 2566 A . N 2567 G ] E 90 2568 U > H 2569 G > H 2570 G > H 2571 U > H 2572 A . N 2573 C . N 2574 G > H 2575 C . N 2576 G . N 2577 A > H 2578 G > H 2579 C > H 2580 U > H 2581 G > H 2582 G ] E 90 2583 G . N 2584 U . N 2585 U . N 2586 U . N 2587 A . N 2588 G [ S 93 2589 A < H 2590 A < H 2591 C < H 2592 G < H 2593 U < H 2594 C [ S 93 2595 G . N 2596 U . N 2597 G . N 2598 A . N 2599 G ] E 93 2600 A > H 2601 C > H 2602 A . N 2603 G > H 2604 U > H 2605 U > H 2606 C ] E 93 2607 G . N 2608 G . N 2609 U . N 2610 C . N 2611 C ] E 73 2612 C > H 2613 U . N 2614 A . N 2615 U > H 2616 C > H 2617 U > H 2618 G > H 2619 C > H 2620 C > H 2621 G > H 2622 U > H 2623 G > H 2624 G > H 2625 G ] E 73 2626 C . N 2627 G . N 2628 C . N 2629 U . N 2630 G [ S 94 2631 G < H 2632 A < H 2633 G < H 2634 A < H 2635 A < H 2636 C < H 2637 U [ S 94 2638 G . N 2639 A . N 2640 G [ S 94 2641 G < H 2642 G < H 2643 G [ S 94 2644 G . N 2645 G . N 2646 C [ S 95 2647 U < H 2648 G < H 2649 C < H 2650 U < H 2651 C < H 2652 C < H 2653 U . N 2654 A . N 2655 G < H 2656 U < H 2657 A < H 2658 C [ S 95 2659 G . N 2660 A . N 2661 G . N 2662 A . N 2663 G ] E 95 2664 G > H 2665 A > H 2666 C > H 2667 C . N 2668 G > H 2669 G > H 2670 A > H 2671 G > H 2672 U > H 2673 G > H 2674 G ] E 95 2675 A [ S 96 2676 C < H 2677 G < H 2678 C < H 2679 A < H 2680 U < H 2681 C . N 2682 A . N 2683 C . N 2684 U < H 2685 G < H 2686 G < H 2687 U . N 2688 G . N 2689 U . N 2690 U . N 2691 C < H 2692 G < H 2693 G < H 2694 G < H 2695 U < H 2696 U < H 2697 G < H 2698 U < H 2699 C < H 2700 A < H 2701 U [ S 96 2702 G . N 2703 C . N 2704 C . N 2705 A . N 2706 A ] E 96 2707 U > H 2708 G > H 2709 G > H 2710 C > H 2711 A > H 2712 C . N 2713 U . N 2714 G > H 2715 C > H 2716 C > H 2717 C > H 2718 G > H 2719 G . N 2720 U . N 2721 A . N 2722 G . N 2723 C > H 2724 U > H 2725 A > H 2726 A . N 2727 A > H 2728 U > H 2729 G > H 2730 C > H 2731 G > H 2732 G ] E 96 2733 A . N 2734 A . N 2735 G [ S 97 2736 A < H 2737 G < H 2738 A . N 2739 U . N 2740 A . N 2741 A . N 2742 G < H 2743 U < H 2744 G < H 2745 C < H 2746 U [ S 97 2747 G . N 2748 A . N 2749 A . N 2750 A . N 2751 G . N 2752 C . N 2753 A . N 2754 U . N 2755 C . N 2756 U . N 2757 A . N 2758 A ] E 97 2759 G > H 2760 C > H 2761 A > H 2762 C > H 2763 G . N 2764 A . N 2765 A . N 2766 A . N 2767 C > H 2768 U > H 2769 U ] E 97 2770 G . N 2771 C ] E 94 2772 C > H 2773 C > H 2774 C ] E 94 2775 G . N 2776 A . N 2777 G . N 2778 A . N 2779 U . N 2780 G . N 2781 A ] E 94 2782 G > H 2783 U > H 2784 U > H 2785 C > H 2786 U > H 2787 C > H 2788 C ] E 94 2789 C . N 2790 U . N 2791 G [ S 98 2792 A < H 2793 C < H 2794 C < H 2795 C < H 2796 U < H 2797 U . N 2798 U . N 2799 A . N 2800 A > H 2801 G > H 2802 G > H 2803 G > H 2804 U > H 2805 C ] E 98 2806 C . N 2807 U . N 2808 G . N 2809 A [ S 99 2810 A < H 2811 G < H 2812 G < H 2813 A < H 2814 A [ S 99 2815 C [ S 100 2816 G < H 2817 U < H 2818 U < H 2819 G [ S 100 2820 A . N 2821 A . N 2822 G . N 2823 A . N 2824 C . N 2825 G . N 2826 A . N 2827 C ] E 100 2828 G > H 2829 A > H 2830 C > H 2831 G ] E 100 2832 U . N 2833 U . N 2834 G . N 2835 A . N 2836 U [ S 101 2837 A < H 2838 G < H 2839 G < H 2840 C < H 2841 C < H 2842 G < H 2843 G < H 2844 G < H 2845 U < H 2846 G < H 2847 U . N 2848 G . N 2849 U . N 2850 A . N 2851 A . N 2852 G < H 2853 C < H 2854 G < H 2855 C < H 2856 A < H 2857 G . N 2858 C . N 2859 G . N 2860 A . N 2861 U > H 2862 G > H 2863 C > H 2864 G > H 2865 U > H 2866 U . N 2867 G . N 2868 A . N 2869 G . N 2870 C > H 2871 U > H 2872 A > H 2873 A . N 2874 C > H 2875 C > H 2876 G > H 2877 G > H 2878 U > H 2879 A . N 2880 C > H 2881 U > H 2882 A ] E 101 2883 A . N 2884 U . N 2885 G . N 2886 A ] E 99 2887 A > H 2888 C > H 2889 C > H 2890 G > H 2891 U ] E 99 2892 G . N 2893 A . N 2894 G . N 2895 G ] E 1 2896 C > H 2897 U > H 2898 U > H 2899 A > H 2900 A > H 2901 C > H 2902 C ] E 1 2903 U . N 2904 U . N ./arbsrc_9167/lib/rna3d/SecondaryStructureModel_5SrRNA.data0000644012664100000130000000325411213220015023461 0ustar arb_buildcoders1 U . N 2 G [ S 1 3 C < H 4 C < H 5 U < H 6 G < H 7 G < H 8 C < H 9 G < H 10 G < H 11 C [ S 1 12 C . N 13 U . N 14 U . N 15 A . N 16 G [ S 2 17 C < H 18 G < H 19 C < H 20 G < H 21 G < H 22 U [ S 2 23 G . N 24 G . N 25 U . N 26 C . N 27 C . N 28 C . N 29 A [ S 3 30 C < H 31 C < H 32 U < H 33 G < H 34 A [ S 3 35 C . N 36 C . N 37 C . N 38 C . N 39 A . N 40 U . N 41 G . N 42 C . N 43 C . N 44 G . N 45 A . N 46 A . N 47 C . N 48 U ] E 3 49 C > H 50 A > H 51 G > H 52 A . N 53 A . N 54 G > H 55 U ] E 3 56 G . N 57 A . N 58 A . N 59 A . N 60 C . N 61 G ] E 2 62 C > H 63 C > H 64 G > H 65 U > H 66 A . N 67 G > H 68 C ] E 2 69 G . N 70 C [ S 4 71 C [ S 72 G . N 73 A . N 74 U . N 75 G . N 76 G . N 77 U . N 78 A . N 79 G [ S 5 80 U < H 81 G < H 82 U < H 83 G < H 84 G < H 85 G < H 86 G < H 87 U . N 88 C . N 89 U . N 90 C > H 91 C > H 92 C > H 93 C > H 94 A > H 95 U > H 96 G > H 97 C ] E 5 98 G . N 99 A . N 100 G . N 101 A . N 102 G . N 103 U . N 104 A . N 105 G ] E 4 106 G ] E 107 G . N 108 A . N 109 A ] E 1 110 C > H 111 U > H 112 G > H 113 C > H 114 C > H 115 A > H 116 G > H 117 G > H 118 C ] E 1 119 A . N 120 U . N ./arbsrc_9167/lib/rna3d/TertiaryInteractions_16SrRNA.data0000644012664100000130000000121311213220015023071 0ustar arb_buildcodersHEAD ============================================================================== HEAD Tertiary Interactions of 16S ribosomal RNA model of E.coli. HEAD Reference : http://www.rna.icmb.utexas.edu/ HEAD Year of Last Update : 2001. HEAD Pseudoknots(K) and Triple Base Pairs(R) are extracted and displayed in the 3D model. HEAD ============================================================================== KNOT 17:918 KNOT 18:917 KNOT 19:916 KNOT 505:526 KNOT 506:525 KNOT 507:524 KNOT 521:528 KNOT 522:527 KNOT 570:866 KNOT 571:865 TRIPLE 124:237:121 TRIPLE 125:236:121 TRIPLE 570:866:863 TRIPLE 596:644:595 TRIPLE 933:1384:1109 TRIPLE 996:1045:995 ./arbsrc_9167/lib/rna3d/TertiaryInteractions_23SrRNA.data0000644012664100000130000000166711213220015023104 0ustar arb_buildcodersHEAD ============================================================================== HEAD Tertiary Interactions of 23S ribosomal RNA model of E.coli. HEAD Reference : http://www.rna.icmb.utexas.edu/ HEAD Year of Last Update : 2001. HEAD Pseudoknots(K) and Triple Base Pairs(R) are extracted and displayed in the 3D model. HEAD ============================================================================== KNOT 61:93 KNOT 62:92 KNOT 64:90 KNOT 65:89 KNOT 66:88 KNOT 67:74 KNOT 317:334 KNOT 318:333 KNOT 413:2410 KNOT 414:2409 KNOT 415:2408 KNOT 416:2407 KNOT 1005:1138 KNOT 1006:1137 KNOT 1343:1404 KNOT 1344:1403 KNOT 1782:2586 KNOT 2112:2169 KNOT 2113:2170 KNOT 2117:2172 KNOT 2283:2325 KNOT 2326:2389 KNOT 2328:2387 KNOT 2329:2386 KNOT 2330:2385 KNOT 2359:2428 KNOT 2626:2777 TRIPLE 1055:1104:1085 TRIPLE 1091:1100:1071 TRIPLE 1092:1099:1072 TRIPLE 1935:1962:1940 TRIPLE 1950:1956:1954 TRIPLE 2057:2611:746 TRIPLE 2144:2147:2111 ./arbsrc_9167/lib/sellists/mod_fields_common.sellst0000644012664100000130000000015611213220012022436 0ustar arb_buildcodersSIMPLPRO Simplified AminoAcid, :P=A:G=A:S=A:T=A:Q=D:N=D:E=D:B=E:Z=E:K=H:R=H:L=I:Y=I:M=I:V=F:W=V ./arbsrc_9167/lib/sellists/mod_fields_gc.sellst0000644012664100000130000000317611213220012021544 0ustar arb_buildcodersCount nucleotides, nuc#|sequence|count("agctuAGCTU") Count nucleotides (incl. IUPAC), nuc#|sequence|count("agctumrwsykvhdbnAGCTUMRWSYKVHDBN") Count nucleotides gene, nuc_term#|sequence|filter(SAI=termini,include=x)|count("ACGTU") Count amino acids, aa#|sequence|count("ACDEFGHIKLMNPQRSTVWYacdefghiklmnpqrstvwy") Count poison characters (RNA/DNA), poison#|sequence|len;count("acgtumrwsykvhdbnACGTUMRWSYKVHDBN-.")|minus Count poison characters (PRO), poison#|sequence|len;count("abcdefghiklmnpqrstvwxyzABCDEFGHIKLMNPQRSTVWXYZ-.*")|minus Replace poison characters with gaps (RNA/DNA), |translate("acgtumrwsykvhdbnACGTUMRWSYKVHDBN-.","acgtumrwsykvhdbnACGTUMRWSYKVHDBN-.","-") Replace poison characters with gaps (PRO), |translate("abcdefghiklmnpqrstvwxyzABCDEFGHIKLMNPQRSTVWXYZ-.*","abcdefghiklmnpqrstvwxyzABCDEFGHIKLMNPQRSTVWXYZ-.*","-") start gene, start#|sequence|filter(SAI=5_prime,exclude=x)|count("ACGTUMRWSYKVHDBNacgtumrwsykvhdbn") end gene, end#|sequence|filter(SAI=3_prime,exclude=x)|count("ACGTUMRWSYKVHDBNacgtumrwsykvhdbn") calculate G+C content, GC#|sequence|count("gcGC");count("agctuAGCTU")|"G+C:";per_cent calculate G+C content helical parts only, GCH#|sequence|filter(SAI=HELIX;exclude=.-)|count("gcGC");count("agctuAGCTU")|"GCH=";per_cent;"(";cut(2);")" calculate G+C content non helical parts only, GCN#|sequence|filter(SAI=HELIX;include=.-)|count("gcGC");count("agctuAGCTU")|"GCN=";per_cent;"(";cut(2);")" ./arbsrc_9167/lib/sellists/mod_fields.sellst0000644012664100000130000000226011213220012021064 0ustar arb_buildcoders# ----------------------------------------------------------------------------------------- # All expressions in mod_fields*.sellst appear in 'MODIFY DATABASE FIELD of listed species' # ----------------------------------------------------------------------------------------- replace all 'u' by 't', :u=t remove all '"', :"= copy (full_name) to this field, :*=*(full_name) append (full_name) to this field, :*=*1 *(full_name) calculate sequence checksum, seqcheck#|sequence|"ARB_";checksum(exclude=.-n;toupper) #count ambigus letters, ambig#|sequence|mid(40,-100)|len("-ACGTU") count ambiguities (nry. ...) (filter: ECOLI), ambig#|sequence|filter(SAI=ECOLI,exclude=.-)|mid(10,-10)|len("-ACGTU") truncate seq. ranges outside ecoli range, |filter(SAI=ECOLI,exclude=.) increase G+C content in helical regions by 5%, ali_*/data#|change(SAI=HELIX,exclude=.-,change=5,to=GC) store taxonomy, ARB_treetax#|taxonomy(1) store full taxonomy, ARB_treetax#|taxonomy(999) ./arbsrc_9167/lib/sellists/mod_gene_fields.sellst0000644012664100000130000000035511213220012022065 0ustar arb_buildcodersremove all '"', :"= calculate sequence checksum, seqcheck#|sequence|"ARB_";checksum(exclude=.-n;toupper) calculate length, length#|sequence|len ./arbsrc_9167/lib/sellists/README0000644012664100000130000000137711213220012016417 0ustar arb_buildcoders This directory contain different selection lists ------------------------------------------------ To create new choices do not modify the files in this directory, (for it will be destroyed when you install a new version of arb) but: Create a new file with a privat extension to the basename of the original file. example: original file: mod_fields.sellst your file: mod_fields_your_name.sellst Format of sellst files: ----------------------- - Lines starting with '#' are comment lines - Every other line has the format: DESCRIPTION,EXPRESSION - DESCRIPTION may NOT contain commas - EXPRESSION is a valid SRT or ACI command - EXPRESSION may be prefixed by FIELD# where FIELD is the name of a database field. ./arbsrc_9167/lib/sellists/srt_aci_cosmetic.sellst0000644012664100000130000000025211213220012022270 0ustar arb_buildcoders[...] ! insert first 30 characters in [], "[";head(30);"]" (...) ! insert first 30 characters in (), "(";head(30);")" ./arbsrc_9167/lib/sellists/srt_aci_gc.sellst0000644012664100000130000000144011213220012021053 0ustar arb_buildcodersCNT_NUCS ! count nucleotides, nuc#|sequence|count("agctuAGCTU") CNT_NUCS_TERM ! count nucleotides gene, nuc_term#|sequence|filter(SAI=ECOLI,exclude=.-)|count("ACGTU") CNT_AACIDS ! count amino acids, aa#|sequence|count("ACDEFGHIKLMNPQRSTVWYacdefghiklmnpqrstvwy") GC_CONT ! calculate G+C content, GC#|sequence|count("gcGC");count("agctuAGCTU")|"G+C:";per_cent GC_CONTH !calculate G+C content helical parts only, GCH#|sequence|filter(SAI=HELIX;exclude=.-)|count("gcGC");count("agctuAGCTU")|"GCH=";per_cent;"(";cut(2);")" GC_CONTNH ! calculate G+C content non helical parts only, GCN#|sequence|filter(SAI=HELIX;include=.-)|count("gcGC");count("agctuAGCTU")|"GCN=";per_cent;"(";cut(2);")" ./arbsrc_9167/lib/sellists/srt_aci.sellst0000644012664100000130000000241411213220012020404 0ustar arb_buildcodersID , T=U ! Replace all T's by U's, :T=U:t=u A. BBB ! Replace first word by its first letter plus '.', :?* *=?1. *2 AA. BBB ! Replace first word by its first two letters plus '.', :??* *=?1?2. *2 SHOW a-b ! Show position 125 - 150, |mid(125,150) HEAD 20 ! Show position 0 - 20, |head(20) TAIL 20 ! Show 20 last positions, |tail(20) CNT(A) ! Count all 'A's, |count(aA) CNT(ACGT) ! Count all 'ACGTU', |count("ACGTU") CNT ambi ! Count all small letters + ambiguous codes + '.', |len("-ACGTU") CNT ambi2 ! Count ambiguous c. + 'acgtu.' in pos 100 - (len-100), |mid(100,-100)|len("-ACGTU") G+C ! G+C content, |count("gcGC");count("agctuAGCTU")|per_cent CHECKALL ! Overall Checksum, |checksum CHECKBAS ! Checksum (no gaps), |checksum(exclude=.-n;touppper) DIFFECOLI ! Difference to ecoli sequence, |diff(SAI=ECOLI) TAXONOMY ! Taxonomy of species, |taxonomy(1) ./arbsrc_9167/lib/submit/embl_newsubmission_wl0000755012664100000130000003430111213220012021525 0ustar arb_buildcoders------------------------------------------------------ EMBL NUCLEOTIDE SEQUENCE DATABASE SUBMISSION FORM HOW TO USE THIS FORM - PLEASE READ FIRST 1) WEBIN: THE WORLD WIDE WEB SUBMISSION TOOL ============================================ If you have access to the World Wide Web then DO NOT use this form. Use the WebIn form on the World Wide Web at ############################################## # http://www.ebi.ac.uk/submission/webin.html # ############################################## If you do not have access to the World Wide Web then please use this form and email it to DATASUBS@EBI.AC.UK. It is only necessary to submit to one database. Public data are exchanged between EMBL, GenBank and DDBJ on a daily basis. 2) MULTIPLE SUBMISSIONS ======================= If you have more than one but less than 25 sequences to submit, copy this form and send all the submissions together in one email with a note saying how many sequences you are sending. 3) BULK SUBMISSIONS =================== If you have more than 25 related sequences to submit DO NOT send them all using this form. Instead email DATASUBS@EBI.AC.UK and include the following information a) how many sequences you are going to submit b) a short explanation of how the sequences are related c) what type of differences there are between the entries (e.g. isolate) d) one completed email submission form as an example You will be contacted by a curator who will create a template for you which you should then use to submit all of the sequences. 4) UPDATES ========== DO NOT use this form for submitting updates or corrections. If you are sending an update please complete the update form available on the web at: http://www.ebi.ac.uk/ebi_docs/update.html or get a copy of the update form via anonymous FTP: ftp://ftp.ebi.ac.uk/pub/databases/embl/release/update.doc If you need help with updates contact UPDATE@EBI.AC.UK 5) PROTEIN SEQUENCES ==================== DO NOT use this form to submit protein sequences. For submissions to the SWISS-PROT protein sequence databank access the World Wide Web at http://www.ebi.ac.uk/ebi_docs/swissprot_db/swisshome.html or email DATALIB@EBI.AC.UK 6) ACCESSION NUMBERS AND CONFIDENTIALITY ======================================== Your data can be made public immediately, or they can be kept confidential until a release date which you provide. Confidential data are ALWAYS made available to the public after publication. If your data contain all the information we require we will assign unique accession numbers within two working days. We will email you to tell you the new accession numbers. You should submit your sequence data BEFORE you have galley proofs. We suggest that the following text be used to cite the accession number(s) in publication(s): "The nucleotide sequence data reported in this paper will appear in the DDBJ/EMBL/GenBank Nucleotide Sequence Database under the accession number(s) ________" 7) FORM FILLING INSTRUCTIONS ============================ <============== DO NOT EXCEED THIS LINE WIDTH IN YOUR REPLY ==============> To display this form properly choose a fixed width font (e.g. Courier) in your editor. If you are saving files in a word processing program then please save the file as TEXT ONLY WITH LINE BREAKS. (To do this in Microscoft Word you will need to choose File, Save as, Save file type as, and select Text only with line breaks). Please do not send files that are saved in Word or Wordperfect format. Processing of the submission may be delayed if your email is text wrapped, encoded or binhexed. ######################################################################## # Fill in the form as follows: # # a) if there is a colon : then enter text (e.g. Last name : Smith) # # b) if there is an empty box [ ] and if the answer is yes then fill # # the box with an X (e.g. Genomic DNA [X]) # # c) if the option is not relevant then do not enter any text and/or # # do not write an X in the box. # # d) DO NOT delete lines from this form. # ######################################################################## 8) ENTERING FEATURES AND LOCATIONS ================================== Enter the feature key from the list given in Appendix I at the end of this document. Enter the locations, gene name, product name, and EC number, where appropriate. Use < and > in the locations to show whether the feature is partial at the 5' end and/or the 3' end. Mark with an X in the box [ ] if the feature is on the complementary strand and if you have experimental evidence for the feature. If you do not provide any features or adequate locations and names for the features you will be contacted for more information before an accession number is assigned to the sequence. For CDS features you must provide a gene name AND a product name, even if the product name is putative. If a CDS is partial at the 5' end then write the codon start number. This is the number (1,2 or 3) of the first base of the first complete codon of the translation. For example the following CDS is partial and the codon start is 2 because the first complete codon, T, starts with the base a, which is the second base in the feature. DNA tacatcgatg... Translation T S M... FEATURE EXAMPLE NO.1 Feature key :CDS >From :201 To :500 Gene name :abcD Product name :ABC repressor protein Codon start 1,2 or 3 : EC number : Complementary strand [ ] Experimental evidence [X] FEATURE EXAMPLE NO.2 Feature key :rRNA >From :<1 To :>1500 Gene name :16S rRNA Product name :16S ribosomal RNA Codon start 1,2 or 3 : EC number : Complementary strand [ ] Experimental evidence [ ] If you have further questions after reading this form please contact DATASUBS@EBI.AC.UK I. CONFIDENTIAL STATUS Enter an X if you want these data to be confidential [ ] If confidential write the release date here : (Date format DD-MMM-YYYY e.g. 30-JUN-1998) II. CONTACT INFORMATION Last name :$(LAST_NAME) First name :$(FIRST_NAME) Middle initials : Department :$(DEPT) Institution :$(INSTITUTION) Address :$(ADDRESS) : : Country :$(COUNTRY) Telephone :$(PHONE) Fax :$(TELEFAX) Email :$(MAIL) III. CITATION INFORMATION Author 1 :$(author_1) Author 2 :$(author_2) Author 3 :$(author_3) Author 4 :$(author_4) Author 5 :$(author_5) Author 6 :$(author_6) Author 7 :$(author_7) Author 8 :$(author_8) Author 9 :$(author_9) Author 10 :$(author_10) Author 11 :$(author_11) Author 12 :$(author_12) (e.g. Smith A.B.) (Copy line for extra authors) Title :$(title) Journal :$(journal) Volume :$(volume) First page :$(page_1) Last page :$(page_2) Year :$(year_pub) Institute (if thesis): Publication status Mark one of the following In preparation [ ] Accepted [x] Published [ ] Thesis/Book [ ] No plans to publish [ ] IV. SEQUENCE INFORMATION Sequence length (bp) :$(SEQ_LEN) Molecule type Mark one of the following Genomic DNA [ ] cDNA to mRNA [ ] rRNA [x] tRNA [ ] Genomic RNA [ ] cDNA to genomic RNA [ ] Mark if either of these apply Circular [ ] Checked for vector contamination [ ] V. SOURCE INFORMATION Organism :$(full_name) Sub species : Strain :$(strain) Cultivar : Variety : Isolate/individual : Developmental stage : Tissue type : Cell type : Cell line : Clone :$(clone) Clone (if >1) : Clone library : Chromosome : Map position : Haplotype : Natural host : Laboratory host : Macronuclear [ ] Mark one if immunoglobulin or T cell receptor Germline [ ] Rearranged [ ] Mark one if viral Proviral [ ] Virion [ ] Mark one if from an organelle Chloroplast [ ] Mitochondrion [ ] Chromoplast [ ] Kinetoplast [ ] Cyanelle [ ] Plasmid (not clone) [ ] Further source information (e.g. taxonomy, specimen voucher etc) Note :$(tax) VI. FEATURES OF THE SEQUENCE YOU MUST DESCRIBE AT LEAST ONE FEATURE OF THE SEQUENCE OR THERE WILL BE A DELAY IN THE PROCESSING OF YOUR SUBMISSION Complete the block below for every feature you need to describe. If you have more than one feature copy the block as many times as you require. For help see 8) ENTERING FEATURES AND LOCATIONS above. FEATURE NO.1 Feature key :$(seq_type) >From :$(start) To :$(end) Gene name :$(gene) Product name :$(gene_prod) Codon start 1,2 or 3 : EC number : Complementary strand [ ] Experimental evidence [ ] VII. SEQUENCE INFORMATION Enter the sequence data below (IUPAC nucleotide base codes, Nucl. Acids Res. 13: 3021-3030, 1985) BEGINNING OF SEQUENCE: $(SEQUENCE) END OF SEQUENCE Include the translation for each CDS feature below. BEGINNING OF TRANSLATION: END OF TRANSLATION --------------------------------------------------------------------------- These data will be shared among the following databases: DDBJ Database (DNA Data Bank of Japan; Mishima, Japan); EMBL Nucleotide Sequence Database (EBI, Cambridge, UK); GenBank (NCBI, Bethesda, USA); SWISS-PROT Protein Sequence Database (Geneva, Switzerland and Heidelberg, FRG); International Protein Information Database in Japan (JIPID; Noda, Japan) Martinsried Institute For Protein Sequence Data (MIPS; Martinsried, FRG) National Biomedical Research Foundation Protein Identification Resource (NBRF-PIR; Washington, D.C., USA.) EMBL Data Submissions E-mail datasubs@ebi.ac.uk European Bioinformatics Inst. Telephone +44 (0)1223 494499 Hinxton Hall, Hinxton Telefax +44 (0)1223 494472 Cambridge CB10 1SD, UK --------------------------------------------------------------------------- APPENDIX I FEATURE KEYS ======================= A full description of features is found in the DDBJ/EMBL/GenBank Feature Table Definition Document at ftp://ftp.ebi.ac.uk/pub/databases/embl/release/ftable.doc and on the EBI website at http://www.ebi.ac.uk/ebi_docs/embl_db/ft/feature_table.html An abbreviated list of features keys is given below C_region constant region of immunoglobulin light and heavy chain, and T-cell receptor alpha, beta and gamma chains CAAT_signal eukaryotic promoter element; consensus=GG(C or T)CAATCT CDS protein coding sequence (includes stop codon) conflict the "same" sequence reported by different laboratories differ at this site or region D-segment diversity segment of immunoglobulin heavy chain and T-cell receptor beta-chain enhancer cis-acting enhancer of eukaryotic promoter function exon region that codes for part of spliced mRNA GC_signal eukaryotic promoter element; consensus=GGGCGG intron transcribed region excised by mRNA splicing J_segment joining segment of immunoglobulin light and heavy chains, T-cell receptor alpha, beta and gamma-chains LTR long terminal repeat mat_peptide mature peptide coding region (does not include stop codon) or signal peptide misc_feature region of biological interest which cannot be described by any other known feature mRNA messenger RNA mutation a related strain has an abrupt, inheritable change in the sequence polyA_signal polyadenylation signal recognition region polyA_site polyadenylation site to which adenine residues are added primer_bind non-covalent primer binding site promoter promoter region involved in transcription initiation protein_bind non-covalent protein binding site on DNA or RNA RBS ribosome binding site rep_origin origin of replication repeat_region region of genome containing repeating units repeat_unit single repeat element rRNA ribosomal RNA S_region switch region of immunoglobulin heavy chains satellite many tandem repeats of a short basic repeating unit sig_peptide signal peptide coding region stem_loop hair-pin loop structure in DNA or RNA STS sequence tagged site TATA_signal eukaryotic promoter element; consensus=TATA(A or T)A(A or T) terminator transcription termination signal transit_peptide transit peptide coding region tRNA transfer RNA V_region variable region of immunoglobulin light and heavy chains, and T-cell receptor alpha, beta, and gamma chains V_segment variable segment of immunoglobulin light and heavy chains, and T-cell receptor alpha, beta, and gamma chains. variation a related strain contains stable mutations from the same gene (e.g., RFLPs, polymorphisms) 3'UTR region at the 3' end of a mature transcript, following the stop codon 5'UTR region at the 5' end of a mature transcript, preceding the initiation -10_signal prokaryotic promoter element, consensus=TAtAaT -35_signal prokaryotic promoter element, consensus=TTGACa or TGTTGACA (Last change: 08-DEC-1998) (Wendy Baker, EMBL nucleotide sequence database curator) Agnes Leyen EMBL Outstation - The European Bioinformatics Institute Wellcome Trust Genome Campus Cambridge CB10 1SD UK DATASUBMISSIONS: +44 1223 494499 datasubs@ebi.ac.uk UPDATES: +44 1223 494499 updates@ebi.ac.uk PERSONAL: +44 1223 494411 leyen@ebi.ac.uk ./arbsrc_9167/lib/submit/submiss.embl0000755012664100000130000003664711213220012017541 0ustar arb_buildcoders SEQUENCE DATA SUBMISSION FORM This form solicits the information needed for a nucleotide or amino acid sequence database entry. It can be filled in using any text editor or printed and filled in by hand. By completing and returning it to us promptly you help us to enter your data in the database accurately and rapidly. These data will be shared among the following databases: EMBL Data Library (Heidelberg, W. Germany); GenBank (Los Alamos, NM, U.S.A. and Mountain View, CA, U.S.A), DNA Data Bank of Japan (DDBJ; Tokyo, Japan); National Biomedical Research Foundation Protein Identification Resource (NBRF-PIR; Washington, D.C., U.S.A.); Martinsried Institute for Protein Sequence Data (MIPS; Martinsried, W. Germany) and International Protein Information Database in Japan (JIPID; Tokyo). Please answer all questions which apply to your data. If you submit 2 or more non-contiguous sequences, copy and fill out this form for each additional sequence. When submitting nucleic acid sequences containing protein coding regions, please include a translation (SEPARATELY from the nucleic acid sequence). Then send us (1) this form, (2) a pre- or reprint of any manuscript which pertains to these data, and (3) your sequence data. You can send these materials (a) electronically via computer network, (b) on magnetic tape, or (c) on a floppy diskette. More detailed information about formats for submitted data is included at the end of this form. our mailing address: EMBL Data Library Submissions, Postfach 10.2209 D-6900 Heidelberg, West Germany telephone: (06221) 387 258 computer network: datasubs@embl.earn (for data submissions) datalib@embl.earn (for general inquiries) Please include in your submission any additional sequence data which is not reported in your manuscript but which has been reliably determined (for example, introns or flanking sequences). When we receive this material we will assign the data an accession number, which serves as a reference that permanently identifies them in the database. We will inform you what accession number your data have been given and we recommend that you cite this number when referring to these data in publications. If new data become available which would make the database entry more informative (e.g., function of the gene product or location of important sites within the sequence), or if you discover errors in the sequence, we urge you to contact us so that we can update your entry. Thank you. I. GENERAL INFORMATION ============================================================================== Your name $(YOUR NAME) ------------------------------------------------------------------------------ Institution $(INSTITUTION) ------------------------------------------------------------------------------ Address $(ADDRESS) ------------------------------------------------------------------------------ Computer mail address $(MAIL) Telex number ------------------------------------------------------------------------------ Telephone $(PHONE) Telefax number $(TELEFAX) ============================================================================== On what medium and in what format are you sending us your sequence data? (see instructions at the end of this form) [X] electronic mail [ ] diskette computer:Commodore operating system:MS DOS editor: [ ] magnetic tape record length: blocksize: label type: density [ ] 800 [ ] 1600 [ ] 6250 character code [ ] ASCII [ ] EBCDIC ============================================================================== II. CITATION INFORMATION ============================================================================== These data are [ ] published [X] in press [ ] submitted [ ] in preparation [ ] no plans to publish ------------------------------------------------------------------------------ authors $(author) ------------------------------------------------------------------------------ title of paper $(title) ------------------------------------------------------------------------------ journal volume, first-last pages, $(journal) ------------------------------------------------------------------------------ Do you agree that these data can be made available in the database before they appear in print? [x] yes [ ] no, they should be made available only after publication. estimated date: $(DATE) ============================================================================== Does the sequence which you are sending with this form include data that do NOT appear in the above citation? [X] no [ ] yes, from position ______ to ______ [ ] base pairs OR [ ] amino acid residues (If your sequence contains 2 or more such spans, use the feature table in section IV to indicate their positions) If so, how should these data be cited in the database? [ ] published [ ] in press [ ] submitted [ ] in preparation [ ] no plans to publish ------------------------------------------------------------------------------ authors ------------------------------------------------------------------------------ address (if different from that given in section I) ------------------------------------------------------------------------------ title of paper ------------------------------------------------------------------------------ journal volume, first-last pages, year ============================================================================== List references to papers and/or database entries which report sequences overlapping with that submitted here. 1st author journal, vol., pages, year and/or database, accession number ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ============================================================================== III. DESCRIPTION OF SEQUENCED SEGMENT Wherever possible, please use standard nomenclature or conventions. If a question is not applicable to your sequence, answer by writing N.A. in the appropriate space; if the information is relevant but not available, write a question mark (?). ============================================================================== What kind of molecule did you sequence? (check all boxes which apply) [X] genomic DNA [ ] genomic RNA [ ] virus or [ ] provirus [ ] cDNA to mRNA [ ] cDNA to genomic RNA [ ] organelle DNA [ ] organelle RNA please specify organelle: [ ] tRNA [ ] rRNA [ ] snRNA [ ] scRNA [ ] other nucleic acid. please specify: [ ] peptide [ ] sequence assembled by [ ] overlap of sequenced fragments [ ] homology with related sequence [ ] other. please specify: [ ] partial: [ ] N-terminal [ ] C-terminal [ ] internal fragment ============================================================================== length of sequence $(SEQ_LEN) [X] base pairs or [ ] amino acid residues ------------------------------------------------------------------------------ gene name(s) (e.g., lacZ) $(gene) ------------------------------------------------------------------------------ gene product name(s) (e.g., beta-D-galactosidase) $(gene) ------------------------------------------------------------------------------ Enzyme Commission number (e.g., EC 3.2.1.23) ------------------------------------------------------------------------------ gene product subunit structure (e.g., hemoglobin alpha-2 beta-2) ============================================================================== The following items refer to the original source of the molecule you have sequenced. organism ---- name $(full_name) ------------------------------------------------------------------------------ sub-species strain $(strain) ------------------------------------------------------------------------------ name/number of individual or isolate (e.g., patient 123; influenza virus A/PR/8/34) ------------------------------------------------------------------------------ developmental stage [ ] germ line [ ] rearranged ------------------------------------------------------------------------------ haplotype tissue type cell type ============================================================================== The following items refer to the immediate experimental source of the submitted sequence. name of cell line (e.g., Hela; 3T3-L1) ------------------------------------------------------------------------------ library (type; name) clone(s) ============================================================================== The following items refer to the position of the submitted sequence in the genome. chromosome (or segment) name/number ------------------------------------------------------------------------------ map position units: [ ] genome % [ ] nucleotide number [ ] other: ============================================================================== Using single words or short phrases, describe the properties of the sequence in terms of: - its associated phenotype(s); - the biological/enzymatic activity of its product; - the general functional classification of the gene and/or gene product - macromolecules to which the gene product can bind (e.g., DNA, calcium, other proteins); - subcellular localization of the gene product; - any other relevant information. Example (for the viral erbB nucleotide sequence): transforming capacity; EGF receptor-related; tyrosine kinase; oncogene; transmembrane protein. ============================================================================== IV. FEATURES OF THE SEQUENCE Please list below the types and locations of all significant features experimentally identified within the sequence. Be sure that your sequence is numbered beginning with "1." In the column marked fill in feature type of feature (see information below) from number of first base/amino acid in the feature to number of last base/amino acid in the feature bp x, if numbering refers to position of a base pair in a nucleotide sequence aa x, if numbering refers to position of an amino acid residue in a peptide sequence id indicate method by which the feature was identified. E = experimentally; S = by similarity to known sequence or to an established consensus sequence; P = by similarity to some other pattern, such as an open reading frame comp x, if feature is located on the nucleic acid strand complementary to that reported here Significant features include: - regulatory signals (e.g., promoters, attenuators, enhancers) - transcribed regions (e.g., mRNA, rRNA, tRNA). (indicate reading frame if start and stop codons are not present) - regions subject to post-transcriptional modificaton (e.g., introns, modified bases) - translated regions - extent of signal peptide, prepropeptide, propeptide, mature peptide - regions subject to post-translational modification (e.g., glycosylated or phosphorylated sites) - other domains/sites of interest (e.g., extracellular domain, DNA- binding domain, active site, inhibitory site) - sites involved in bonding (disulfide, thiolester, intrachain, interchain) - regions of protein secondary structure (e.g., alpha helix or beta sheet) - conflicts with sequence data reported by other authors - variations and polymorphisms The first 2 lines of the table are filled in with examples. ============================================================================== Numbering for features on submitted sequence [X] matches manuscript [ ] does not match manuscript ============================================================================== feature from to bp aa id comp ------------------------------------------------------------------------------ EXAMPLE TATA box 1 8 x S ------------------------------------------------------------------------------ EXAMPLE exon 1 9 264 x ============================================================================== $(gene) 1 $(SEQ_LEN) x ------------------------------------------------------------------------------ $(tax) ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ============================================================================== FORMATS FOR SUBMITTED DATA We are happy to accept data submitted in any of the following formats: (1) Electronic file transfer: files can be sent via computer network to: DATASUBS@EMBL.EARN. This BITNET/EARN address can be reached via various gateways from Arpanet, Usenet, JANET, etc. Ask your local network expert for help or phone us. (2) Magnetic tapes: 9-track only (fixed-length records preferred); 800, 1600 or 6250 bpi (any blocksize); ASCII or EBCDIC character codes; any label type or unlabelled. (3) Floppy disks: we can read Macintosh diskettes and 5-1/4" diskettes from MS-DOS systems. Whatever format you choose, we would appreciate receiving the sequence data in a form which conforms as closely as possible to the following standards. - Each sequence should include the names of the authors. - Each distinct sequence should be listed separately using the same number of bases/residues per line. The length of each sequence in bases/ residues should be clearly indicated. - Enumeration should begin with a "1" and continue in the direction 5' to 3' (or amino- to carboxy-terminus). - Amino acid sequences should be listed using the one-letter code. - Translations of protein coding regions in nucleotide sequences should be submitted in a separate computer file from the nucleotide sequences themselves. - The code for representing the sequence characters should conform to the IUPAC-IUB standards, which are described in: Nucl. Acids Res. 13: 3021- 3030 (1985) (for nucleic acids) and J. Biol. Chem. 243: 3557-3559 (1968) and Eur. J. Biochem 5: 151-153 (1968) (for amino acids). $(SEQUENCE) ./arbsrc_9167/lib/submit/submiss_notfree.embl0000755012664100000130000003664711213220012021263 0ustar arb_buildcoders SEQUENCE DATA SUBMISSION FORM This form solicits the information needed for a nucleotide or amino acid sequence database entry. It can be filled in using any text editor or printed and filled in by hand. By completing and returning it to us promptly you help us to enter your data in the database accurately and rapidly. These data will be shared among the following databases: EMBL Data Library (Heidelberg, W. Germany); GenBank (Los Alamos, NM, U.S.A. and Mountain View, CA, U.S.A), DNA Data Bank of Japan (DDBJ; Tokyo, Japan); National Biomedical Research Foundation Protein Identification Resource (NBRF-PIR; Washington, D.C., U.S.A.); Martinsried Institute for Protein Sequence Data (MIPS; Martinsried, W. Germany) and International Protein Information Database in Japan (JIPID; Tokyo). Please answer all questions which apply to your data. If you submit 2 or more non-contiguous sequences, copy and fill out this form for each additional sequence. When submitting nucleic acid sequences containing protein coding regions, please include a translation (SEPARATELY from the nucleic acid sequence). Then send us (1) this form, (2) a pre- or reprint of any manuscript which pertains to these data, and (3) your sequence data. You can send these materials (a) electronically via computer network, (b) on magnetic tape, or (c) on a floppy diskette. More detailed information about formats for submitted data is included at the end of this form. our mailing address: EMBL Data Library Submissions, Postfach 10.2209 D-6900 Heidelberg, West Germany telephone: (06221) 387 258 computer network: datasubs@embl.earn (for data submissions) datalib@embl.earn (for general inquiries) Please include in your submission any additional sequence data which is not reported in your manuscript but which has been reliably determined (for example, introns or flanking sequences). When we receive this material we will assign the data an accession number, which serves as a reference that permanently identifies them in the database. We will inform you what accession number your data have been given and we recommend that you cite this number when referring to these data in publications. If new data become available which would make the database entry more informative (e.g., function of the gene product or location of important sites within the sequence), or if you discover errors in the sequence, we urge you to contact us so that we can update your entry. Thank you. I. GENERAL INFORMATION ============================================================================== Your name $(YOUR NAME) ------------------------------------------------------------------------------ Institution $(INSTITUTION) ------------------------------------------------------------------------------ Address $(ADDRESS) ------------------------------------------------------------------------------ Computer mail address $(MAIL) Telex number ------------------------------------------------------------------------------ Telephone $(PHONE) Telefax number $(TELEFAX) ============================================================================== On what medium and in what format are you sending us your sequence data? (see instructions at the end of this form) [X] electronic mail [ ] diskette computer:Commodore operating system:MS DOS editor: [ ] magnetic tape record length: blocksize: label type: density [ ] 800 [ ] 1600 [ ] 6250 character code [ ] ASCII [ ] EBCDIC ============================================================================== II. CITATION INFORMATION ============================================================================== These data are [ ] published [X] in press [ ] submitted [ ] in preparation [ ] no plans to publish ------------------------------------------------------------------------------ authors $(author) ------------------------------------------------------------------------------ title of paper $(title) ------------------------------------------------------------------------------ journal volume, first-last pages, $(journal) ------------------------------------------------------------------------------ Do you agree that these data can be made available in the database before they appear in print? [ ] yes [x] no, they should be made available only after publication. estimated date: $(DATE) ============================================================================== Does the sequence which you are sending with this form include data that do NOT appear in the above citation? [X] no [ ] yes, from position ______ to ______ [ ] base pairs OR [ ] amino acid residues (If your sequence contains 2 or more such spans, use the feature table in section IV to indicate their positions) If so, how should these data be cited in the database? [ ] published [ ] in press [ ] submitted [ ] in preparation [ ] no plans to publish ------------------------------------------------------------------------------ authors ------------------------------------------------------------------------------ address (if different from that given in section I) ------------------------------------------------------------------------------ title of paper ------------------------------------------------------------------------------ journal volume, first-last pages, year ============================================================================== List references to papers and/or database entries which report sequences overlapping with that submitted here. 1st author journal, vol., pages, year and/or database, accession number ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ============================================================================== III. DESCRIPTION OF SEQUENCED SEGMENT Wherever possible, please use standard nomenclature or conventions. If a question is not applicable to your sequence, answer by writing N.A. in the appropriate space; if the information is relevant but not available, write a question mark (?). ============================================================================== What kind of molecule did you sequence? (check all boxes which apply) [X] genomic DNA [ ] genomic RNA [ ] virus or [ ] provirus [ ] cDNA to mRNA [ ] cDNA to genomic RNA [ ] organelle DNA [ ] organelle RNA please specify organelle: [ ] tRNA [ ] rRNA [ ] snRNA [ ] scRNA [ ] other nucleic acid. please specify: [ ] peptide [ ] sequence assembled by [ ] overlap of sequenced fragments [ ] homology with related sequence [ ] other. please specify: [ ] partial: [ ] N-terminal [ ] C-terminal [ ] internal fragment ============================================================================== length of sequence $(SEQ_LEN) [X] base pairs or [ ] amino acid residues ------------------------------------------------------------------------------ gene name(s) (e.g., lacZ) $(gene) ------------------------------------------------------------------------------ gene product name(s) (e.g., beta-D-galactosidase) $(gene) ------------------------------------------------------------------------------ Enzyme Commission number (e.g., EC 3.2.1.23) ------------------------------------------------------------------------------ gene product subunit structure (e.g., hemoglobin alpha-2 beta-2) ============================================================================== The following items refer to the original source of the molecule you have sequenced. organism ---- name $(full_name) ------------------------------------------------------------------------------ sub-species strain $(strain) ------------------------------------------------------------------------------ name/number of individual or isolate (e.g., patient 123; influenza virus A/PR/8/34) ------------------------------------------------------------------------------ developmental stage [ ] germ line [ ] rearranged ------------------------------------------------------------------------------ haplotype tissue type cell type ============================================================================== The following items refer to the immediate experimental source of the submitted sequence. name of cell line (e.g., Hela; 3T3-L1) ------------------------------------------------------------------------------ library (type; name) clone(s) ============================================================================== The following items refer to the position of the submitted sequence in the genome. chromosome (or segment) name/number ------------------------------------------------------------------------------ map position units: [ ] genome % [ ] nucleotide number [ ] other: ============================================================================== Using single words or short phrases, describe the properties of the sequence in terms of: - its associated phenotype(s); - the biological/enzymatic activity of its product; - the general functional classification of the gene and/or gene product - macromolecules to which the gene product can bind (e.g., DNA, calcium, other proteins); - subcellular localization of the gene product; - any other relevant information. Example (for the viral erbB nucleotide sequence): transforming capacity; EGF receptor-related; tyrosine kinase; oncogene; transmembrane protein. ============================================================================== IV. FEATURES OF THE SEQUENCE Please list below the types and locations of all significant features experimentally identified within the sequence. Be sure that your sequence is numbered beginning with "1." In the column marked fill in feature type of feature (see information below) from number of first base/amino acid in the feature to number of last base/amino acid in the feature bp x, if numbering refers to position of a base pair in a nucleotide sequence aa x, if numbering refers to position of an amino acid residue in a peptide sequence id indicate method by which the feature was identified. E = experimentally; S = by similarity to known sequence or to an established consensus sequence; P = by similarity to some other pattern, such as an open reading frame comp x, if feature is located on the nucleic acid strand complementary to that reported here Significant features include: - regulatory signals (e.g., promoters, attenuators, enhancers) - transcribed regions (e.g., mRNA, rRNA, tRNA). (indicate reading frame if start and stop codons are not present) - regions subject to post-transcriptional modificaton (e.g., introns, modified bases) - translated regions - extent of signal peptide, prepropeptide, propeptide, mature peptide - regions subject to post-translational modification (e.g., glycosylated or phosphorylated sites) - other domains/sites of interest (e.g., extracellular domain, DNA- binding domain, active site, inhibitory site) - sites involved in bonding (disulfide, thiolester, intrachain, interchain) - regions of protein secondary structure (e.g., alpha helix or beta sheet) - conflicts with sequence data reported by other authors - variations and polymorphisms The first 2 lines of the table are filled in with examples. ============================================================================== Numbering for features on submitted sequence [X] matches manuscript [ ] does not match manuscript ============================================================================== feature from to bp aa id comp ------------------------------------------------------------------------------ EXAMPLE TATA box 1 8 x S ------------------------------------------------------------------------------ EXAMPLE exon 1 9 264 x ============================================================================== $(gene) 1 $(SEQ_LEN) x ------------------------------------------------------------------------------ $(tax) ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ------------------------------------------------------------------------------ ============================================================================== FORMATS FOR SUBMITTED DATA We are happy to accept data submitted in any of the following formats: (1) Electronic file transfer: files can be sent via computer network to: DATASUBS@EMBL.EARN. This BITNET/EARN address can be reached via various gateways from Arpanet, Usenet, JANET, etc. Ask your local network expert for help or phone us. (2) Magnetic tapes: 9-track only (fixed-length records preferred); 800, 1600 or 6250 bpi (any blocksize); ASCII or EBCDIC character codes; any label type or unlabelled. (3) Floppy disks: we can read Macintosh diskettes and 5-1/4" diskettes from MS-DOS systems. Whatever format you choose, we would appreciate receiving the sequence data in a form which conforms as closely as possible to the following standards. - Each sequence should include the names of the authors. - Each distinct sequence should be listed separately using the same number of bases/residues per line. The length of each sequence in bases/ residues should be clearly indicated. - Enumeration should begin with a "1" and continue in the direction 5' to 3' (or amino- to carboxy-terminus). - Amino acid sequences should be listed using the one-letter code. - Translations of protein coding regions in nucleotide sequences should be submitted in a separate computer file from the nucleotide sequences themselves. - The code for representing the sequence characters should conform to the IUPAC-IUB standards, which are described in: Nucl. Acids Res. 13: 3021- 3030 (1985) (for nucleic acids) and J. Biol. Chem. 243: 3557-3559 (1968) and Eur. J. Biochem 5: 151-153 (1968) (for amino acids). $(SEQUENCE) ./arbsrc_9167/Makefile0000644012664100000130000011633612051173043014605 0ustar arb_buildcoders# =============================================================== # # # # File : Makefile # # # # Institute of Microbiology (Technical University Munich) # # http://www.arb-home.de/ # # # # =============================================================== # # ----------------------------------------------------- # The ARB Makefile is aware of the following defines: # # BUILDHOST_64=0/1 1=>compile on 64 bit platform (defaults to ARB_64) # DEVELOPER=name special compilation (values: ANY,RELEASE,your name) # OPENGL=0/1 whether OPENGL is available # # ----------------------------------------------------- # ARB Makefile and ARB source code are aware of the following defines: # # $(MACH) name of the machine (LINUX,SUN4,SUN5,HP,SGI or DIGITAL; see config.makefile) # DEBUG compiles the DEBUG sections # DEBUG_GRAPHICS all X-graphics are flushed immediately (for debugging) # ARB_64=0/1 1=>compile 64 bit version # # ----------------------------------------------------- # The ARB source code is aware of the following defines: # # NDEBUG doesn't compile the DEBUG sections # DEVEL_$(DEVELOPER) developer-dependent flag (enables you to have private sections in code) # DEVELOPER='ANY' (default setting) will be ignored # configurable in config.makefile # # ----------------------------------------------------- # Read configuration include config.makefile ifeq ($(LD_LIBRARY_PATH),'') LD_LIBRARY_PATH:=${ARBHOME}/lib endif FORCEMASK = umask 002 # ---------------------- [basic compiler setting] ifdef DARWIN # GCC and GPP now set in the Portfile else GCC:=$(CC) GPP:=$(CXX) # to use clang-static-analyzer , call make like this: # setenv CLANG_STATIC_CHECKER 1 ; scan-build make -j5 build ifeq ($(CLANG_STATIC_CHECKER),1) CCC_ANALYZER_CPLUSPLUS=1 endif endif # ---------------------- compiler version detection # supported compiler versions: ALLOWED_GCC_3xx_VERSIONS=3.2 3.3.1 3.3.3 3.3.4 3.3.5 3.3.6 3.4.0 3.4.2 3.4.3 ALLOWED_GCC_4xx_VERSIONS=\ 4.0.0 4.0.1 4.0.2 4.0.3 \ 4.1.1 4.1.2 4.1.3 \ 4.2.0 4.2.1 4.2.3 4.2.4 \ 4.3.1 4.3.2 4.3.3 \ 4.4.1 4.4.3 \ 4.6.1 \ 4.7.1 ALLOWED_GCC_VERSIONS=$(ALLOWED_GCC_3xx_VERSIONS) $(ALLOWED_GCC_4xx_VERSIONS) GCC_VERSION_FOUND=$(shell $(ARBHOME)/SOURCE_TOOLS/arb_gcc_version.pl) GCC_VERSION_ALLOWED=$(strip $(subst ___,,$(foreach version,$(ALLOWED_GCC_VERSIONS),$(findstring ___$(version)___,___$(GCC_VERSION_FOUND)___)))) USING_GCC_3XX=$(strip $(foreach version,$(ALLOWED_GCC_3xx_VERSIONS),$(findstring $(version),$(GCC_VERSION_ALLOWED)))) USING_GCC_4XX=$(strip $(foreach version,$(ALLOWED_GCC_4xx_VERSIONS),$(findstring $(version),$(GCC_VERSION_ALLOWED)))) #---------------------- define special directories for non standard builds ifdef DARWIN OSX_FW:=/System/Library/Frameworks OSX_FW_OPENGL:=$(OSX_FW)/OpenGL.framework/Versions/A/Libraries OSX_FW_GLUT:=$(OSX_FW)/GLUT.framework/Versions/A/Libraries OSX_FW_IMAGEIO:=$(OSX_FW)/ApplicationServices.framework/Versions/A/Frameworks/ImageIO.framework/Versions/A/Resources endif #---------------------- ifdef DARWIN LINK_STATIC=1# link static else LINK_STATIC=0# link dynamically endif shared_cflags :=# flags for shared lib compilation lflags :=# linker flags extended_warnings :=# warning flags for C and C++-compiler extended_cpp_warnings :=# warning flags for C++-compiler only ifeq ($(DEBUG),0) dflags := -DNDEBUG# defines cflags := -O4# compiler flags (C and C++) ifndef DARWIN lflags += -O99# linker flags endif endif ifeq ($(DEBUG),1) dflags := -DDEBUG cflags := -O0 -g -g3 -ggdb -ggdb3 # cflags := -O2 -g -g3 -ggdb -ggdb3 # use this for callgrind (force inlining) ifndef DARWIN lflags += -g endif POST_COMPILE := 2>&1 | $(ARBHOME)/SOURCE_TOOLS/postcompile.pl # Enable several warnings extended_warnings := -Wwrite-strings -Wunused -Wno-aggregate-return -Wshadow extended_cpp_warnings := -Wnon-virtual-dtor -Wreorder -Wpointer-arith ifneq ('$(USING_GCC_3XX)','') extended_cpp_warnings += -Wdisabled-optimization -Wmissing-format-attribute extended_cpp_warnings += -Wmissing-noreturn # -Wfloat-equal endif ifneq ('$(USING_GCC_4XX)','') # extended_cpp_warnings += -Wwhatever endif ifeq ($(DEBUG_GRAPHICS),1) dflags += -DDEBUG_GRAPHICS endif endif #---------------------- developer ifneq ($(DEVELOPER),ANY) # ANY=default setting (skip all developer specific code) ifdef dflags dflags += -DDEVEL_$(DEVELOPER)# activate developer/release specific code endif endif #---------------------- 32 or 64 bit ifndef ARB_64 ARB_64=0#default to 32bit endif ifndef BUILDHOST_64 BUILDHOST_64:=$(ARB_64)# assume build host is same as version (see config.makefile) endif ifeq ($(ARB_64),1) dflags += -DARB_64 #-fPIC lflags += shared_cflags += -fPIC ifeq ($(BUILDHOST_64),1) # build 64-bit ARB version on 64-bit host CROSS_LIB:=# empty = autodetect below ifdef DARWIN cflags += -arch x86_64 lflags += -arch x86_64 endif else # build 64-bit ARB version on 32-bit host CROSS_LIB:=/lib64 cflags += -m64 lflags += -m64 -m elf_x86_64 endif else ifeq ($(BUILDHOST_64),1) # build 32-bit ARB version on 64-bit host CROSS_LIB:=# empty = autodetect below cflags += -m32 lflags += -m32 -m elf_i386 else # build 32-bit ARB version on 32-bit host CROSS_LIB:=/lib endif endif ifeq ('$(CROSS_LIB)','') # autodetect libdir ifeq ($(ARB_64),1) CROSS_LIB:=`(test -d /lib64 && echo lib64) || echo lib` else CROSS_LIB:=`(test -d /lib32 && echo lib32) || echo lib` endif endif #---------------------- other flags dflags += -D$(MACH) # define machine ifdef DARWIN shared_cflags += -fno-common else dflags += $(shell getconf LFS_CFLAGS) endif cflags += -pipe cflags += -fmessage-length=0# don't wrap compiler output cflags += -funit-at-a-time cflags += -fPIC #---------------------- X11 location ifdef DARWIN XHOME:=$(PREFIX) else XHOME:=/usr/X11R6 endif XINCLUDES:=-I$(XHOME)/include ifdef DARWIN XINCLUDES += -I$(OSX_FW)/GLUT.framework/Headers -I$(OSX_FW)/OpenGL.framework/Headers -I$(OSX_SDK)/usr/include/krb5 XLIBS := -L$(XHOME)/lib -lXm -lpng -lz -lXt -lX11 -lXext -lXp -lXmu -lXi XLIBS += -Wl,-dylib_file,$(OSX_FW_OPENGL)/libGL.dylib:$(OSX_FW_OPENGL)/libGL.dylib XLIBS += -Wl,-dylib_file,$(OSX_FW_OPENGL)/libGLU.dylib:$(OSX_FW_OPENGL)/libGLU.dylib else XLIBS:=-L$(XHOME)/$(CROSS_LIB) -lXm -lXpm -lXt -lXext -lX11 endif #---------------------- open GL ifeq ($(OPENGL),1) cflags += -DARB_OPENGL # activate OPENGL code GL := gl # this is the name of the OPENGL base target GL_LIB := -lGL -L$(ARBHOME)/GL/glAW -lglAW ifdef DEBIAN GL_LIB += -lpthread endif GL_PNGLIBS := -L$(ARBHOME)/GL/glpng -lglpng_arb -lpng GLEWLIB := -lGLEW -lGLw ifdef DARWIN GLUTLIB := -glut else GLUTLIB := -lglut endif GL_LIBS := $(GL_LIB) $(GLEWLIB) $(GLUTLIB) $(GL_PNGLIBS) else GL_LIBS:=# no opengl -> no libs GL:=# don't build ARB openGL libs endif #---------------------- tiff lib: TIFFLIBS := -ltiff #---------------------- basic libs: SYSLIBS:= ifdef DARWIN SYSLIBS += -lstdc++ else SYSLIBS += -lm endif #---------------------- include symbols? ifeq ($(TRACESYM),1) ifdef DARWIN cdynamic = ldynamic = else cdynamic = -rdynamic -Wl,--export-dynamic ldynamic = --export-dynamic endif endif # ------------------------------------------------------------------------- # Don't put any machine/version/etc conditionals below! # (instead define variables above) # ------------------------------------------------------------------------- cflags += -W -Wall $(dflags) $(extended_warnings) $(cdynamic) cppflags := $(extended_cpp_warnings) ifeq ($(DEVELOPER),RALF) HAVE_GNUPP0X=`SOURCE_TOOLS/requireVersion.pl 4.3 $(GCC_VERSION_FOUND)` ifeq ($(HAVE_GNUPP0X),1) # ensure compatibility with upcoming C++ standard cppflags += -std=gnu++0x endif endif # compiler settings: ACC := $(GCC)# compile C CPP := $(GPP) $(cppflags)# compile C++ ACCLIB := $(ACC) $(shared_cflags)# compile C (shared libs) CPPLIB := $(CPP) $(shared_cflags)# compile C++ (shared libs) LINK_STATIC_LIB := ld $(lflags) $(ldynamic) -r -o# link static lib LINK_EXECUTABLE := $(GPP) $(lflags) $(cdynamic) -o# link executable (c++) ifeq ($(LINK_STATIC),1) SHARED_LIB_SUFFIX = a# static lib suffix LINK_SHARED_LIB := $(LINK_STATIC_LIB) else SHARED_LIB_SUFFIX = so# shared lib suffix LINK_SHARED_LIB := $(GPP) $(lflags) $(cdynamic) -shared -o# link shared lib endif # other used tools CTAGS := etags ifdef DARWIN XMKMF := $(PREFIX)/bin/xmkmf else XMKMF := /usr/bin/X11/xmkmf endif MAKEDEPEND_PLAIN = makedepend MAKEDEPEND = $(FORCEMASK);$(MAKEDEPEND_PLAIN) SEP:=-------------------------------------------------------------------------------- # delete variables unused below lflags:= # ------------------------- # Main arb targets: # ------------------------- first_target: $(MAKE) checks @echo $(SEP) @echo 'Main targets:' @echo '' @echo ' all - Compile ARB + TOOLs + and copy shared libs + link foreign software' @echo ' (That is most likely the target you want)' @echo '' @echo ' clean - remove generated files ("SUBDIR/SUBDIR.clean" to clean only SUBDIR)' @echo ' rebuild - clean + all' @echo ' relink - remove all binaries and relink them from objects' @echo '' @echo 'Some often used sub targets (make all makes them all):' @echo '' @echo ' arb - Just compile ARB (but none of the integrated tools)' @echo ' menus - create GDEHELP/ARB_GDEmenus from GDEHELP/ARB_GDEmenus.source' @echo ' perl - Compile the PERL XSUBS into lib/ARB.so and create links in lib to perl' @echo ' binlink - Create all links in the bin directory' @echo '' @echo 'Development targets:' @echo '' @echo ' depends - create or update dependencies ("SUBDIR/SUBDIR.depends" to update only SUBDIR)' @echo ' proto - create or update prototypes ("SUBDIR/SUBDIR.proto" to update only SUBDIR)' @echo ' tags - create tags for xemacs' @echo ' rmbak - remove all "*%" and cores' @echo ' show - show available shortcuts (AKA subtargets)' @echo ' up - shortcut for depends+proto+tags' @echo ' modified - rebuild files modified in svn checkout (touches files!)' @echo '' @echo 'Internal maintenance:' @echo '' @echo ' rel_minor - build a release (increases minor version number)' @echo ' rel_major - build a release (increases MAJOR version number)' @echo ' tarfile - make rebuild and create arb version tarfile ("tarfile_quick" to skip rebuild)' @echo ' save - save all basic ARB sources into arbsrc_DATE' @echo ' rtc_patch - create LIBLINK/libRTC8M.so (SOLARIS ONLY)' @echo ' source_doc - create doxygen documentation' @echo ' relocated - rebuild partly (use when you have relocated ARBHOME)' @echo ' check_res - check ressource usage' @echo '' @echo $(SEP) @echo '' # auto-generate config.makefile: CONFIG_MAKEFILE_FOUND=$(wildcard config.makefile) config.makefile : config.makefile.template @echo -------------------------------------------------------------------------------- ifeq ($(strip $(CONFIG_MAKEFILE_FOUND)),) @cp $< $@ @echo '$(ARBHOME)/$@:1: has been generated.' @echo 'Please edit $@ to configure your system!' @echo -------------------------------------------------------------------------------- @false else @echo '$(ARBHOME)/$<:1: is more recent than' @echo '$(ARBHOME)/$@:1:' @ls -al config.makefile* @echo -------------------------------------------------------------------------------- @echo "Updating $@ (if this fails, check manually)" SOURCE_TOOLS/update_config_makefile.pl @echo "Sucessfully updated $@" @echo -------------------------------------------------------------------------------- @ls -al config.makefile* @echo -------------------------------------------------------------------------------- @echo "Diff to your old config.makefile:" @echo -------------------------------------------------------------------------------- -diff $@.bak $@ @echo -------------------------------------------------------------------------------- endif # check if everything is configured correctly check_DEVELOPER: ifndef DEVELOPER @echo 'config.makefile:1: DEVELOPER not defined' @false endif check_DEBUG: ifndef dflags @echo 'config.makefile:1: DEBUG has to be defined. Valid values are 0 and 1' @false endif check_ARB_64: ifndef ARB_64 @echo 'config.makefile:1: ARB_64 has to be defined. Valid values are 0 and 1' @false endif # ---------------------------------------- check gcc version check_same_GCC_VERSION: $(ARBHOME)/SOURCE_TOOLS/check_same_gcc_version.pl $(GCC_VERSION_ALLOWED) check_GCC_VERSION: @echo 'GCC version check:' @echo " - Your version is '$(GCC_VERSION_FOUND)'" ifeq ('$(GCC_VERSION_ALLOWED)', '') @echo ' - This version is not in the list of supported gcc-versions:' @$(foreach version,$(ALLOWED_GCC_VERSIONS),echo ' * $(version)';) @echo ' - You may either ..' @echo ' - add your version to ALLOWED_GCC_VERSIONS in the Makefile and try it out or' @echo ' - switch to one of the allowed versions (see arb_README_gcc.txt for installing' @echo ' a different version of gcc)' @echo '' @false else @echo " - Supported gcc version '$(GCC_VERSION_ALLOWED)' detected - fine!" @echo '' $(MAKE) check_same_GCC_VERSION endif GCC_WITH_VTABLE_AFTER_CLASS=#occurred only with no longer supported $(ALLOWED_GCC_295_VERSIONS) HAVE_GCC_WITH_VTABLE_AFTER_CLASS=$(strip $(foreach version,$(GCC_WITH_VTABLE_AFTER_CLASS),$(findstring $(version),$(GCC_VERSION_ALLOWED)))) # depending on the version of gcc the location of the vtable pointer differs. ifeq ('$(HAVE_GCC_WITH_VTABLE_AFTER_CLASS)', '') VTABLE_INFRONTOF_CLASS=1 else VTABLE_INFRONTOF_CLASS=0 endif #---------------------- check ARBHOME # use arb_INSTALL.txt to determine whether ARBHOME points to correct directory ARB_INSTALL_FOUND=$(wildcard $(ARBHOME)/arb_INSTALL.txt) check_ARBHOME: ifeq ($(strip $(ARB_INSTALL_FOUND)),) @echo ------------------------------------------------------------ @echo "ARBHOME is set to '$(ARBHOME)'" @echo "The environment variable ARBHOME has to point to the top arb source directory." @echo "If you use bash enter:" @echo " export ARBHOME='`pwd`'" @echo ------------------------------------------------------------ @false endif ARB_PATH_SET=$(findstring $(ARBHOME)/bin,$(PATH)) check_PATH: check_ARBHOME ifeq ($(strip $(ARB_PATH_SET)),) @echo ------------------------------------------------------------ @echo "The environment variable PATH has to contain $(ARBHOME)/bin" @echo "If you use bash enter:" @echo ' export PATH=$$ARBHOME/bin:$$PATH' @echo ------------------------------------------------------------ @false endif check_TOOLS: @util/arb_check_build_env.pl \ "$(ACC)" \ "$(CPP)" \ "$(GPP)" \ "$(ACCLIB)" \ "$(CPPLIB)" \ "$(XMKMF)" \ "$(MAKEDEPEND_PLAIN)" \ "$(LINK_SHARED_LIB)" \ "$(LINK_SHARED_LIB)" \ check_ENVIRONMENT : check_PATH check_TOOLS check_tabs: check_setup ifeq ($(DEBUG),1) @SOURCE_TOOLS/tabBrake.pl endif force_tab_check: @touch -t 198001010000 SOURCE_TOOLS/tabBrake.stamp @$(MAKE) check_tabs # --------------------- check_setup: check_ENVIRONMENT check_DEBUG check_ARB_64 check_DEVELOPER check_GCC_VERSION @echo Your setup seems to be ok. checks: check_setup check_tabs # end test section ------------------------------ ARBDB_LIB=-lARBDB ARBDBPP_LIB=-lARBDBPP LIBS = $(ARBDB_LIB) $(SYSLIBS) ifdef DARWIN GUI_LIBS = -framework GLUT -framework OpenGL $(LIBS) -lAW -lAWT $(XLIBS) else GUI_LIBS = $(LIBS) -lAW -lAWT $(XLIBS) endif LIBPATH = -L$(ARBHOME)/LIBLINK DEST_LIB = lib DEST_BIN = bin AINCLUDES := -I. -I$(ARBHOME)/INCLUDE $(XINCLUDES) CPPINCLUDES := -I. -I$(ARBHOME)/INCLUDE $(XINCLUDES) MAKEDEPENDFLAGS := -- $(cflags) -- -DARB_OPENGL -I. -Y$(ARBHOME)/INCLUDE ifeq ($(VTABLE_INFRONTOF_CLASS),1) # Some code in ARB depends on the location of the vtable pointer # (it does a cast from class AP_tree to struct GBT_TREE). In order to # work around that hack properly, we define FAKE_VTAB_PTR # if the vtable is located at the beginning of class. # We are really sorry for that hack. cflags:=$(cflags) -DFAKE_VTAB_PTR=char endif # ------------------------------- # old PTSERVER or PTPAN? ifeq ($(PTPAN),1) # PTPAN only libs ARCHS_PT_SERVER = \ ptpan/PROBE.a else ifeq ($(PTPAN),2) # special mode to compile both servers (developers only!) ARCHS_PT_SERVER = \ ptpan/PROBE.a \ PROBE/PROBE.a ARCHS_PT_SERVER_LINK = PROBE/PROBE.a # default to old ptserver else # PT-server only libs ARCHS_PT_SERVER = \ PROBE/PROBE.a endif endif ifndef ARCHS_PT_SERVER_LINK ARCHS_PT_SERVER_LINK = $(ARCHS_PT_SERVER) endif # ------------------------------- # List of all Directories ARCHS = \ $(ARCHS_PT_SERVER) \ AISC/dummy.a \ AISC_MKPTPS/dummy.a \ ALIV3/ALIV3.a \ ARBDB/libARBDB.a \ ARBDB2/libARBDB.a \ ARBDBPP/libARBDBPP.a \ ARBDBS/libARBDB.a \ ARB_GDE/ARB_GDE.a \ AWT/libAWT.a \ AWTC/AWTC.a \ AWTI/AWTI.a \ CONSENSUS_TREE/CONSENSUS_TREE.a \ CONVERTALN/CONVERTALN.a \ DBSERVER/DBSERVER.a \ DIST/DIST.a \ EDIT/EDIT.a \ EDIT4/EDIT4.a \ EISPACK/EISPACK.a \ GDE/GDE.a \ GENOM/GENOM.a \ GENOM_IMPORT/GENOM_IMPORT.a \ GL/GL.a \ ISLAND_HOPPING/ISLAND_HOPPING.a \ MERGE/MERGE.a \ MULTI_PROBE/MULTI_PROBE.a \ NALIGNER/NALIGNER.a \ NAMES/NAMES.a \ NAMES_COM/server.a \ NTREE/NTREE.a \ PARSIMONY/PARSIMONY.a \ PGT/PGT.a \ PHYLO/PHYLO.a \ PRIMER_DESIGN/PRIMER_DESIGN.a \ PROBE_COM/server.a \ PROBE_DESIGN/PROBE_DESIGN.a \ PROBE_SET/PROBE_SET.a \ READSEQ/READSEQ.a \ RNA3D/RNA3D.a \ SECEDIT/SECEDIT.a \ SEQ_QUALITY/SEQ_QUALITY.a \ SERVERCNTRL/SERVERCNTRL.a \ SL/SL.a \ STAT/STAT.a \ TOOLS/TOOLS.a \ TREEGEN/TREEGEN.a \ WETC/WETC.a \ WINDOW/libAW.a \ XML/XML.a \ ARCHS_CLIENT_PROBE = PROBE_COM/client.a ARCHS_CLIENT_NAMES = NAMES_COM/client.a ARCHS_MAKEBIN = AISC_MKPTPS/dummy.a AISC/dummy.a ARCHS_COMMUNICATION = NAMES_COM/server.a \ PROBE_COM/server.a # communication libs need aisc and aisc_mkpts: $(ARCHS_COMMUNICATION:.a=.dummy) : $(ARCHS_MAKEBIN:.a=.dummy) #*************************************************************************************** # Individual Programs Section #*************************************************************************************** #*********************************** arb_ntree ************************************** NTREE = bin/arb_ntree ARCHS_NTREE = \ $(ARCHS_CLIENT_PROBE) \ ARB_GDE/ARB_GDE.a \ AWTC/AWTC.a \ AWTI/AWTI.a \ GENOM/GENOM.a \ GENOM_IMPORT/GENOM_IMPORT.a \ MERGE/MERGE.a \ MULTI_PROBE/MULTI_PROBE.a \ NTREE/NTREE.a \ PRIMER_DESIGN/PRIMER_DESIGN.a \ PROBE_DESIGN/PROBE_DESIGN.a \ SEQ_QUALITY/SEQ_QUALITY.a \ SERVERCNTRL/SERVERCNTRL.a \ SL/AW_NAME/AW_NAME.a \ SL/DB_SCANNER/DB_SCANNER.a \ SL/FILE_BUFFER/FILE_BUFFER.a \ SL/HELIX/HELIX.a \ SL/REGEXPR/REGEXPR.a \ SL/TREE_READ/TREE_READ.a \ SL/TREE_WRITE/TREE_WRITE.a \ STAT/STAT.a \ XML/XML.a \ $(NTREE): $(ARCHS_NTREE:.a=.dummy) NAMES_COM/server.dummy shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_NTREE) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_NTREE) $(GUI_LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_NTREE) $(GUI_LIBS) \ ) #*********************************** arb_rna3d ************************************** RNA3D = bin/arb_rna3d ARCHS_RNA3D = \ RNA3D/RNA3D.a \ $(RNA3D): $(ARCHS_RNA3D:.a=.dummy) shared_libs @echo $@ currently does not work as standalone application false #*********************************** arb_edit ************************************** EDIT = bin/arb_edit ARCHS_EDIT = \ NAMES_COM/client.a \ SERVERCNTRL/SERVERCNTRL.a \ EDIT/EDIT.a \ ARB_GDE/ARB_GDE.a \ STAT/STAT.a \ XML/XML.a \ SL/HELIX/HELIX.a \ SL/AW_HELIX/AW_HELIX.a \ SL/AW_NAME/AW_NAME.a \ $(EDIT): $(ARCHS_EDIT:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_EDIT) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_EDIT) -lARBDBPP $(GUI_LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_EDIT) -lARBDBPP $(GUI_LIBS) ; \ ) #*********************************** arb_edit4 ************************************** EDIT4 = bin/arb_edit4 ARCHS_EDIT4 := \ NAMES_COM/client.a \ AWTC/AWTC.a \ EDIT4/EDIT4.a \ SECEDIT/SECEDIT.a \ SERVERCNTRL/SERVERCNTRL.a \ STAT/STAT.a \ ARB_GDE/ARB_GDE.a \ ISLAND_HOPPING/ISLAND_HOPPING.a \ SL/FAST_ALIGNER/FAST_ALIGNER.a \ SL/HELIX/HELIX.a \ SL/AW_HELIX/AW_HELIX.a \ SL/AW_NAME/AW_NAME.a \ SL/FILE_BUFFER/FILE_BUFFER.a \ XML/XML.a \ ifeq ($(OPENGL),1) ARCHS_EDIT4 += RNA3D/RNA3D.a endif LIBS_EDIT4 := $(GL_LIBS) $(EDIT4): $(ARCHS_EDIT4:.a=.dummy) shared_libs $(GL) @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_EDIT4) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_EDIT4) $(GUI_LIBS) $(LIBS_EDIT4)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_EDIT4) $(GUI_LIBS) $(LIBS_EDIT4) \ ) #*********************************** arb_pgt ************************************** PGT = bin/arb_pgt ARCHS_PGT = \ PGT/PGT.a \ PGT_SYS_LIBS=$(XLIBS) $(TIFFLIBS) $(LIBS) $(PGT) : $(ARCHS_PGT:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_PGT) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PGT) $(PGT_SYS_LIBS)"; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PGT) $(PGT_SYS_LIBS); \ ) #*********************************** arb_wetc ************************************** WETC = bin/arb_wetc ARCHS_WETC = \ WETC/WETC.a \ SL/HELIX/HELIX.a \ XML/XML.a \ $(WETC): $(ARCHS_WETC:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_WETC) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_WETC) $(GUI_LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_WETC) $(GUI_LIBS) ; \ ) #*********************************** arb_dist ************************************** DIST = bin/arb_dist ARCHS_DIST = \ $(ARCHS_CLIENT_PROBE) \ DIST/DIST.a \ SERVERCNTRL/SERVERCNTRL.a \ CONSENSUS_TREE/CONSENSUS_TREE.a \ EISPACK/EISPACK.a \ SL/HELIX/HELIX.a \ XML/XML.a \ $(DIST): $(ARCHS_DIST:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_DIST) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_DIST) $(GUI_LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_DIST) $(GUI_LIBS) ; \ ) #*********************************** arb_pars ************************************** PARSIMONY = bin/arb_pars ARCHS_PARSIMONY = \ NAMES_COM/client.a \ SERVERCNTRL/SERVERCNTRL.a \ PARSIMONY/PARSIMONY.a \ SL/HELIX/HELIX.a \ SL/AW_NAME/AW_NAME.a \ XML/XML.a \ $(PARSIMONY): $(ARCHS_PARSIMONY:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_PARSIMONY) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PARSIMONY) $(GUI_LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PARSIMONY) $(GUI_LIBS) ; \ ) #*********************************** arb_treegen ************************************** TREEGEN = bin/arb_treegen ARCHS_TREEGEN = \ TREEGEN/TREEGEN.a \ $(TREEGEN) : $(ARCHS_TREEGEN:.a=.dummy) @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_TREEGEN) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_TREEGEN)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_TREEGEN) ; \ ) #*********************************** arb_naligner ************************************** NALIGNER = bin/arb_naligner ARCHS_NALIGNER = \ $(ARCHS_CLIENT_PROBE) \ NALIGNER/NALIGNER.a \ SERVERCNTRL/SERVERCNTRL.a \ SL/HELIX/HELIX.a \ $(NALIGNER): $(ARCHS_NALIGNER:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_NALIGNER) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_NALIGNER) $(LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_NALIGNER) $(LIBS) \ ) #*********************************** arb_secedit ************************************** SECEDIT = bin/arb_secedit ARCHS_SECEDIT = \ SECEDIT/SECEDIT.a \ XML/XML.a \ $(SECEDIT): $(ARCHS_SECEDIT:.a=.dummy) shared_libs @echo $@ currently does not work as standalone application false #*********************************** arb_phylo ************************************** PHYLO = bin/arb_phylo ARCHS_PHYLO = \ PHYLO/PHYLO.a \ SL/HELIX/HELIX.a \ XML/XML.a \ $(PHYLO): $(ARCHS_PHYLO:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_PHYLO) $(GUI_LIBS) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PHYLO) $(GUI_LIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PHYLO) $(GUI_LIBS) ; \ ) #*************************************************************************************** # SERVER SECTION #*************************************************************************************** #*********************************** arb_db_server ************************************** DBSERVER = bin/arb_db_server ARCHS_DBSERVER = \ DBSERVER/DBSERVER.a \ SERVERCNTRL/SERVERCNTRL.a \ $(DBSERVER): $(ARCHS_DBSERVER:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_DBSERVER) $(ARBDB_LIB) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_DBSERVER) $(ARBDB_LIB) $(SYSLIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_DBSERVER) $(ARBDB_LIB) $(SYSLIBS) ; \ ) #*********************************** arb_pt_server ************************************** PROBE = bin/arb_pt_server ARCHS_PROBE_COMMON = \ PROBE_COM/server.a \ SERVERCNTRL/SERVERCNTRL.a \ SL/HELIX/HELIX.a \ ARCHS_PROBE_LINK = \ $(ARCHS_PROBE_COMMON) \ $(ARCHS_PT_SERVER_LINK) \ ARCHS_PROBE_DEPEND = \ $(ARCHS_PROBE_COMMON) \ $(ARCHS_PT_SERVER) \ $(PROBE): $(ARCHS_PROBE_DEPEND:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_PROBE_LINK) $(ARBDB_LIB) $(ARCHS_CLIENT_PROBE) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PROBE_LINK) $(ARBDB_LIB) $(ARCHS_CLIENT_PROBE) $(SYSLIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_PROBE_LINK) $(ARBDB_LIB) $(ARCHS_CLIENT_PROBE) $(SYSLIBS) ; \ ) #*********************************** arb_name_server ************************************** NAMES = bin/arb_name_server ARCHS_NAMES = \ NAMES_COM/server.a \ NAMES/NAMES.a \ SERVERCNTRL/SERVERCNTRL.a \ $(NAMES): $(ARCHS_NAMES:.a=.dummy) shared_libs @SOURCE_TOOLS/binuptodate.pl $@ $(ARCHS_NAMES) $(ARBDB_LIB) $(ARCHS_CLIENT_NAMES) || ( \ echo Link $@ ; \ echo "$(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_NAMES) $(ARBDB_LIB) $(ARCHS_CLIENT_NAMES) $(SYSLIBS)" ; \ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_NAMES) $(ARBDB_LIB) $(ARCHS_CLIENT_NAMES) $(SYSLIBS) ; \ ) #*********************************** OTHER EXECUTABLES ******************************************** ALIV3 = bin/aliv3 ARCHS_ALIV3 = \ ALIV3/ALIV3.a \ SL/HELIX/HELIX.a \ $(ALIV3): $(ARCHS_ALIV3:.a=.dummy) shared_libs @echo $(SEP) Link $@ $(LINK_EXECUTABLE) $@ $(LIBPATH) $(ARCHS_ALIV3) $(ARBDB_LIB) $(SYSLIBS) #*********************************** SHARED LIBRARIES SECTION ************************************** shared_libs: dball aw awt @echo -------------------- Updating shared libraries $(MAKE) libs addlibs: (perl $(ARBHOME)/SOURCE_TOOLS/provide_libs.pl \ "arbhome=$(ARBHOME)" \ "opengl=$(OPENGL)" \ "link_static=$(LINK_STATIC)" \ ) libs: lib/libARBDB.$(SHARED_LIB_SUFFIX) \ lib/libARBDBPP.$(SHARED_LIB_SUFFIX) \ lib/libARBDO.$(SHARED_LIB_SUFFIX) \ lib/libAW.$(SHARED_LIB_SUFFIX) \ lib/libAWT.$(SHARED_LIB_SUFFIX) lib/lib%.$(SHARED_LIB_SUFFIX): LIBLINK/lib%.$(SHARED_LIB_SUFFIX) cp $< $@ # lib/$(MOTIF_LIBNAME): $(MOTIF_LIBPATH) # cp $< $@ #*************************************************************************************** # Recursive calls to sub-makefiles #*************************************************************************************** include SOURCE_TOOLS/export2sub %.depends: @cp -p $(@D)/Makefile $(@D)/Makefile.old # save old Makefile @$(MAKE) -C $(@D) -r \ "AUTODEPENDS=1" \ "MAIN=nothing" \ "cflags=noCflags" \ depends; @grep "^# DO NOT DELETE" $(@D)/Makefile >/dev/null @cat $(@D)/Makefile \ | SOURCE_TOOLS/fix_depends.pl \ >$(@D)/Makefile.2 @mv $(@D)/Makefile.old $(@D)/Makefile # restore old Makefile @$(ARBHOME)/SOURCE_TOOLS/mv_if_diff $(@D)/Makefile.2 $(@D)/Makefile # update Makefile if changed %.proto: @$(MAKE) -C $(@D) \ "AUTODEPENDS=0" \ "MAIN=nothing" \ "cflags=noCflags" \ proto %.clean: @$(MAKE) -C $(@D) \ "AUTODEPENDS=0" \ "MAIN=nothing" \ "cflags=noCflags" \ clean # rule to generate main target (normally a library): %.dummy: @( export ID=$$$$; \ (( \ echo "$(SEP) Make everything in $(@D)"; \ $(MAKE) -C $(@D) -r \ "AUTODEPENDS=1" \ "MAIN = $(@F:.dummy=.a)" \ "cflags = $(cflags) -DIN_ARB_$(subst /,_,$(@D))" \ ) >$(@D).$$ID.log 2>&1 && (cat $(@D).$$ID.log;rm $(@D).$$ID.log)) || (cat $(@D).$$ID.log;rm $(@D).$$ID.log;false)) # Additional dependencies for subtargets: comtools: $(ARCHS_MAKEBIN:.a=.dummy) PROBE_COM/PROBE_COM.dummy : comtools PROBE_COM/server.dummy : comtools PROBE_COM/client.dummy : comtools NAMES_COM/NAMES_COM.dummy : comtools NAMES_COM/server.dummy : comtools NAMES_COM/client.dummy : comtools com_probe: PROBE_COM/PROBE_COM.dummy com_names: NAMES_COM/NAMES_COM.dummy com_all: com_probe com_names TOOLS/TOOLS.dummy : shared_libs SERVERCNTRL/SERVERCNTRL.dummy com_probe AWTC/AWTC.dummy : com_names com_probe NAMES/NAMES.dummy : com_names SL/AW_NAME/AW_NAME.dummy : com_names PROBE/PROBE.dummy : com_probe MULTI_PROBE/MULTI_PROBE.dummy : com_probe PROBE_DESIGN/PROBE_DESIGN.dummy : com_probe NALIGNER/NALIGNER.dummy : com_probe ARB_GDE/ARB_GDE.dummy : proto_tools #*************************************************************************************** # Short aliases to make targets #*************************************************************************************** show: @echo $(SEP) @echo 'Aliases for often needed targets:' @echo '' @echo ' executables:' @echo '' @echo ' nt arb_ntree' @echo ' e4 arb_edit4 (includes secedit)' @echo ' di arb_dist' @echo ' ph arb_phylo' @echo ' pa arb_parsimony' @echo ' tg arb_treegen' @echo ' ds arb_dbserver' @echo ' pt arb_pt_server' @echo ' na arb_name_server' @echo '' @echo ' libraries:' @echo '' @echo ' com communication libraries' @echo ' dball ARB database (all versions: db dbs and db2)' @echo ' aw GUI lib' @echo ' awt GUI toolkit' @echo ' awtc general purpose library' @echo ' awti import/export library' @echo ' mp multi probe library' @echo ' ge genome library' @echo ' pd probe design lib' @echo ' prd primer design lib' @echo '' @echo ' other targets:' @echo '' @echo ' help recompile help files' @echo ' tools make small tools used by arb' @echo '' @echo ' foreign targets:' @echo '' @echo ' gde GDE' @echo ' agde ARB_GDE' @echo '' @echo 'for other targets inspect $(ARBHOME)/Makefile' @echo '' @echo $(SEP) source_doc: doxygen mbin: $(ARCHS_MAKEBIN:.a=.dummy) com: $(ARCHS_COMMUNICATION:.a=.dummy) help: HELP_SOURCE/HELP_SOURCE.dummy HELP_SOURCE/HELP_SOURCE.dummy: xml menus# need to create some files in GDE-subtree first dball: db dbs db2 dp db: ARBDB/libARBDB.dummy dbs: ARBDBS/libARBDB.dummy db2: ARBDB2/libARBDB.dummy dp: ARBDBPP/libARBDBPP.dummy aw: WINDOW/libAW.dummy awt: AWT/libAWT.dummy awtc: AWTC/AWTC.dummy awti: AWTI/AWTI.dummy mp: MULTI_PROBE/MULTI_PROBE.dummy mg: MERGE/MERGE.dummy ge: GENOM/GENOM.dummy prd: PRIMER_DESIGN/PRIMER_DESIGN.dummy nt: menus $(NTREE) ed: $(EDIT) nal: $(NALIGNER) a3: $(ALIV3) di: $(DIST) ph: $(PHYLO) pa: $(PARSIMONY) tg: $(TREEGEN) 3d: RNA3D/RNA3D.dummy gl: GL/GL.dummy sl: NAMES_COM/NAMES_COM.dummy $(MAKE) SL/SL.dummy ds: $(DBSERVER) pt: $(PROBE) pst: PROBE_SET/PROBE_SET.dummy pd: PROBE_DESIGN/PROBE_DESIGN.dummy na: $(NAMES) sq: SEQ_QUALITY/SEQ_QUALITY.dummy sec: SECEDIT/SECEDIT.dummy e4: wetc help readseq menus $(EDIT4) gi: GENOM_IMPORT/GENOM_IMPORT.dummy wetc: $(WETC) pgt: $(PGT) xml: XML/XML.dummy xmlin: XML_IMPORT/XML_IMPORT.dummy# broken templ: TEMPLATES/TEMPLATES.dummy #******************************************************************************** up: checks $(MAKE) links $(MAKE) -k up_internal up_internal: depends proto tags valgrind_update #******************************************************************************** modified: SOURCE_TOOLS/touch_modified.pl $(MAKE) all #******************************************************************************** depends: $(MAKE) comtools @echo "$(SEP) Partially build com interface" $(MAKE) PROBE_COM/PROBE_COM.depends $(MAKE) NAMES_COM/NAMES_COM.depends @echo $(SEP) Updating dependencies $(MAKE) $(ARCHS:.a=.depends) \ HELP_SOURCE/HELP_SOURCE.depends \ depend: depends proto_tools: @echo $(SEP) Building prototyper $(MAKE) AISC_MKPTPS/AISC_MKPTPS.dummy #proto: proto_tools TOOLS/TOOLS.dummy proto: proto_tools @echo $(SEP) Updating prototypes $(MAKE) \ AISC/AISC.proto \ ARBDB/ARBDB.proto \ ARB_GDE/ARB_GDE.proto \ CONVERTALN/CONVERTALN.proto \ NTREE/NTREE.proto \ $(ARCHS_PT_SERVER:.a=.proto) \ SERVERCNTRL/SERVERCNTRL.proto \ AISC_COM/AISC_COM.proto \ GDE/GDE.proto \ #******************************************************************************** valgrind_update: @echo $(SEP) Updating for valgrind $(MAKE) -C SOURCE_TOOLS valgrind_update #******************************************************************************** TAGFILE=TAGS TAGFILE_TMP=TAGS.tmp tags: @echo $(SEP) Updating tags $(MAKE) tags_$(MACH) mv $(TAGFILE_TMP) $(TAGFILE) tags_LINUX: tags2 tags_SUN5: tags1 tags1: # first search class definitions $(CTAGS) -f $(TAGFILE_TMP) --language=none "--regex=/^[ \t]*class[ \t]+\([^ \t]+\)/" `find . -name '*.[ch]xx' -type f` $(CTAGS) -f $(TAGFILE_TMP) --append --language=none "--regex=/\([^ \t]+\)::/" `find . -name '*.[ch]xx' -type f` # then append normal tags (headers first) $(CTAGS) -f $(TAGFILE_TMP) --append --members ARBDB/*.h `find . -name '*.[h]xx' -type f` $(CTAGS) -f $(TAGFILE_TMP) --append ARBDB/*.c `find . -name '*.[c]xx' -type f` # if the above tag creation does not work -> try tags2: tags2: ctags -f $(TAGFILE_TMP) -e --c-types=cdt --sort=no `find . \( -name '*.[ch]xx' -o -name "*.[ch]" \) -type f | grep -v -i perl5` ctags -f $(TAGFILE_TMP) -a -e --c-types=f-tvx --sort=no `find . \( -name '*.[ch]xx' -o -name "*.[ch]" \) -type f | grep -v -i perl5` #******************************************************************************** links: SOURCE_TOOLS/generate_all_links.stamp SOURCE_TOOLS/generate_all_links.stamp: SOURCE_TOOLS/generate_all_links.sh SOURCE_TOOLS/generate_all_links.sh touch SOURCE_TOOLS/generate_all_links.stamp gde: GDE/GDE.dummy GDE: gde agde: ARB_GDE/ARB_GDE.dummy tools: SL/SL.dummy TOOLS/TOOLS.dummy convert: SL/FILE_BUFFER/FILE_BUFFER.dummy shared_libs $(MAKE) CONVERTALN/CONVERTALN.dummy readseq: READSEQ/READSEQ.dummy #*************************************************************************************** # Some user commands #*************************************************************************************** rtc_patch: rtc_patch_area -so LIBLINK/libRTC8M.so menus: binlink @(( \ echo "$(SEP) Make GDEHELP"; \ $(MAKE) -C GDEHELP -r all && \ echo "$(SEP) Make GDEHELP [done]"; \ ) > GDEHELP.log 2>&1 && (cat GDEHELP.log;rm GDEHELP.log)) || (cat GDEHELP.log;rm GDEHELP.log;false) ifeq ($(DEBUG),1) BIN_TARGET=develall else BIN_TARGET=all endif binlink: $(MAKE) -C bin $(BIN_TARGET) bin/arb_%: DEPOT2/% cp $< $@ bin/%: DEPOT2/% cp $< $@ preplib: (cd lib;$(MAKE) all) # ---------------------------------------- perl perl: tools @echo $(SEP) Make everything in PERL2ARB @$(MAKE) -C PERL2ARB -r -f Makefile.main \ "AUTODEPENDS=1" \ "dflags=$(dflags)" \ all @$(MAKE) testperlscripts testperlscripts: @$(MAKE) -C PERL_SCRIPTS/test test perl_clean: @$(MAKE) -C PERL2ARB -r -f Makefile.main \ "AUTODEPENDS=0" \ clean # ---------------------------------------- wc: wc `find . -type f \( -name '*.[ch]' -o -name '*.[ch]xx' \) -print` # ---------------------------------------- check ressources check_res: $(ARBHOME)/SOURCE_TOOLS/check_ressources.pl # ---------------------------------------- cleaning rmbak: @echo "Cleanup:" @find . \( -name '*%' -o -name '*.bak' -o -name 'core' \ -o -name 'infile' -o -name treefile -o -name outfile \ -o -name 'gde*_?' -o -name '*~' \) \ -exec rm -v {} \; binclean: @echo Cleaning bin directory find bin -type l -exec rm {} \; find bin -type f \! \( -name ".cvsignore" -o -name "Makefile" -o -path "bin/CVS/*" -o -path "bin/.svn/*" \) -exec rm {} \; cd bin;make all libclean: find $(ARBHOME) -type f \( -name '*.a' ! -type l \) -exec rm -f {} \; objclean: find $(ARBHOME) -type f \( -name '*.o' ! -type l \) -exec rm -f {} \; clean2: $(ARCHS:.a=.clean) \ GDEHELP/GDEHELP.clean \ HELP_SOURCE/HELP_SOURCE.clean \ SOURCE_TOOLS/SOURCE_TOOLS.clean \ bin/bin.clean \ perl_clean rm -f *.last_gcc # links are needed for cleanup clean: links $(MAKE) clean2 # 'relocated' is about 50% faster than 'rebuild' reloc_clean: links @echo "---------------------------------------- Relocation cleanup" $(MAKE) \ perl_clean \ GDEHELP/GDEHELP.clean \ HELP_SOURCE/genhelp/genhelp.clean \ binclean \ libclean \ objclean relocated: links $(MAKE) reloc_clean @echo "---------------------------------------- and remake" $(MAKE) all # ----------------------------------- rebuild: clean $(MAKE) all relink: binclean libclean $(MAKE) all tarfile: rebuild $(MAKE) addlibs util/arb_compress tarfile_quick: all $(MAKE) addlibs util/arb_compress save: sourcetarfile # test early whether save will work testsave: @util/arb_srclst.pl >/dev/null sourcetarfile: rmbak util/arb_save save2: rmbak util/arb_save ignore save_test: rmbak @echo "Testing source list.." @util/arb_srclst.pl > /dev/null rel_minor: touch SOURCE_TOOLS/inc_minor.stamp $(MAKE) do_release rel_major: touch SOURCE_TOOLS/inc_major.stamp $(MAKE) do_release do_release: @echo Building release @echo PATH=$(PATH) @echo ARBHOME=$(ARBHOME) -rm arb.tgz arbsrc.tgz $(MAKE) testsave $(MAKE) templ # auto upgrades version early $(MAKE) tarfile $(MAKE) sourcetarfile release_quick: -rm arb.tgz arbsrc.tgz $(MAKE) tarfile_quick $(MAKE) sourcetarfile # -------------------------------------------------------------------------------- # basic arb libraries arbbasic: links preplib $(MAKE) arbbasic2 arbbasic2: templ mbin com sl $(GL) # shared arb libraries arbshared: dball aw dp awt # needed arb applications arbapplications: nt pa ed e4 wetc pt na nal di ph ds pgt # optionally things (no real harm for ARB if any of them fails): arbxtras: tg pst a3 xmlin tryxtras: @echo $(SEP) @( $(MAKE) arbxtras || ( \ echo $(SEP) ;\ echo "One of the optional tools failed to build (see error somewhere above)" ;\ echo "ARB will work nevertheless!" ) ) arb: arbbasic $(MAKE) arbshared arbapplications help all: checks $(MAKE) links $(MAKE) com $(MAKE) arb $(MAKE) libs $(MAKE) convert tools gde readseq $(MAKE) binlink $(MAKE) perl -$(MAKE) tryxtras ifeq ("$(DEVELOPER)","SAVETEST") $(MAKE) save_test endif @echo $(SEP) @echo "made 'all' with success." @echo "to start arb enter 'arb'" ./arbsrc_9167/MERGE/Makefile0000644012664100000130000002170311440743000015432 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = MG_checkfield.o MG_main.o MG_trees.o MG_alignment.o \ MG_species.o MG_extendeds.o MG_names.o MG_gene_species.o \ MG_configs.o MG_preserves.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl MG_alignment.o: merge.hxx MG_alignment.o: mg_merge.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_alignment.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_alignment.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_alignment.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_alignment.o: $(ARBHOME)/INCLUDE/arbdb.h MG_alignment.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_alignment.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_alignment.o: $(ARBHOME)/INCLUDE/attributes.h MG_alignment.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/awt.hxx MG_alignment.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx MG_checkfield.o: merge.hxx MG_checkfield.o: mg_merge.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_checkfield.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_checkfield.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_checkfield.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_checkfield.o: $(ARBHOME)/INCLUDE/arbdb.h MG_checkfield.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_checkfield.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_checkfield.o: $(ARBHOME)/INCLUDE/attributes.h MG_checkfield.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/awt.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/awt_item_sel_list.hxx MG_checkfield.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx MG_configs.o: merge.hxx MG_configs.o: mg_merge.hxx MG_configs.o: $(ARBHOME)/INCLUDE/ad_config.h MG_configs.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_configs.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_configs.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_configs.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_configs.o: $(ARBHOME)/INCLUDE/arbdb.h MG_configs.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_configs.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_configs.o: $(ARBHOME)/INCLUDE/attributes.h MG_configs.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_configs.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_configs.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_configs.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_configs.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_configs.o: $(ARBHOME)/INCLUDE/awt.hxx MG_configs.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx MG_extendeds.o: merge.hxx MG_extendeds.o: mg_merge.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_extendeds.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_extendeds.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_extendeds.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_extendeds.o: $(ARBHOME)/INCLUDE/arbdb.h MG_extendeds.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_extendeds.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_extendeds.o: $(ARBHOME)/INCLUDE/attributes.h MG_extendeds.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/awt.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx MG_extendeds.o: $(ARBHOME)/INCLUDE/db_scanner.hxx MG_gene_species.o: merge.hxx MG_gene_species.o: mg_merge.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_gene_species.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_gene_species.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_gene_species.o: $(ARBHOME)/INCLUDE/adGene.h MG_gene_species.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_gene_species.o: $(ARBHOME)/INCLUDE/arbdb.h MG_gene_species.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_gene_species.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_gene_species.o: $(ARBHOME)/INCLUDE/attributes.h MG_gene_species.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/awt.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/awt_config_manager.hxx MG_gene_species.o: $(ARBHOME)/INCLUDE/inline.h MG_main.o: merge.hxx MG_main.o: mg_merge.hxx MG_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_main.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_main.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_main.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_main.o: $(ARBHOME)/INCLUDE/arbdb.h MG_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_main.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_main.o: $(ARBHOME)/INCLUDE/attributes.h MG_main.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_global.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_preset.hxx MG_main.o: $(ARBHOME)/INCLUDE/AW_rename.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_main.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_main.o: $(ARBHOME)/INCLUDE/awt.hxx MG_names.o: merge.hxx MG_names.o: mg_merge.hxx MG_names.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_names.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_names.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_names.o: $(ARBHOME)/INCLUDE/arbdb.h MG_names.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_names.o: $(ARBHOME)/INCLUDE/attributes.h MG_names.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_names.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_names.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_names.o: $(ARBHOME)/INCLUDE/AW_rename.hxx MG_names.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_names.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_preserves.o: merge.hxx MG_preserves.o: mg_merge.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_preserves.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_preserves.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_preserves.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_preserves.o: $(ARBHOME)/INCLUDE/arbdb.h MG_preserves.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_preserves.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_preserves.o: $(ARBHOME)/INCLUDE/attributes.h MG_preserves.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/awt.hxx MG_preserves.o: $(ARBHOME)/INCLUDE/smartptr.h MG_species.o: merge.hxx MG_species.o: mg_merge.hxx MG_species.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_species.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_species.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_species.o: $(ARBHOME)/INCLUDE/adGene.h MG_species.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_species.o: $(ARBHOME)/INCLUDE/arbdb.h MG_species.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_species.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_species.o: $(ARBHOME)/INCLUDE/attributes.h MG_species.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MG_species.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_species.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_species.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_species.o: $(ARBHOME)/INCLUDE/AW_rename.hxx MG_species.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_species.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_species.o: $(ARBHOME)/INCLUDE/awt.hxx MG_species.o: $(ARBHOME)/INCLUDE/awt_item_sel_list.hxx MG_species.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx MG_species.o: $(ARBHOME)/INCLUDE/db_scanner.hxx MG_species.o: $(ARBHOME)/INCLUDE/GEN.hxx MG_species.o: $(ARBHOME)/INCLUDE/inline.h MG_trees.o: merge.hxx MG_trees.o: mg_merge.hxx MG_trees.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MG_trees.o: $(ARBHOME)/INCLUDE/ad_prot.h MG_trees.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MG_trees.o: $(ARBHOME)/INCLUDE/arb_assert.h MG_trees.o: $(ARBHOME)/INCLUDE/arbdb.h MG_trees.o: $(ARBHOME)/INCLUDE/arbdb_base.h MG_trees.o: $(ARBHOME)/INCLUDE/arbdbt.h MG_trees.o: $(ARBHOME)/INCLUDE/attributes.h MG_trees.o: $(ARBHOME)/INCLUDE/aw_device.hxx MG_trees.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MG_trees.o: $(ARBHOME)/INCLUDE/aw_position.hxx MG_trees.o: $(ARBHOME)/INCLUDE/aw_root.hxx MG_trees.o: $(ARBHOME)/INCLUDE/aw_window.hxx MG_trees.o: $(ARBHOME)/INCLUDE/awt.hxx MG_trees.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx ./arbsrc_9167/MERGE/merge.hxx0000644012664100000130000000647711440743000015635 0ustar arb_buildcoders// ==================================================================== // // // // File : merge.hxx // // Purpose : Local header for usage inside directory MERGE // // // // // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef MERGE_HXX #define MERGE_HXX #ifndef ARB_ASSERT_H #include #endif #define mg_assert(bed) arb_assert(bed) #define AWAR_MERGE_DB "tmp/merge1/db" #define AWAR_MAIN_DB "tmp/merge2/db" AW_window *MG_merge_alignment_cb(AW_root *awr); AW_window *MG_merge_names_cb(AW_root *awr); AW_window *MG_merge_species_cb(AW_root *awr); AW_window *MG_select_preserves_cb(AW_root *awr); AW_window *MG_merge_extendeds_cb(AW_root *awr); AW_window *MG_merge_trees_cb(AW_root *awr); AW_window *MG_merge_configs_cb(AW_root *awr); AW_window *create_mg_check_fields(AW_root *aw_root); void MG_create_config_awar(AW_root *aw_root, AW_default aw_def); void MG_create_trees_awar(AW_root *aw_root, AW_default aw_def); void MG_create_extendeds_awars(AW_root *aw_root, AW_default aw_def); void MG_create_alignment_awars(AW_root *aw_root,AW_default aw_def); void MG_create_species_awars(AW_root *aw_root, AW_default aw_def); void MG_create_rename_awars(AW_root *aw_root, AW_default aw_def); void MG_create_db_dependent_rename_awars(AW_root *aw_root, GBDATA *gb_merge, GBDATA *gb_dest); void MG_set_renamed(bool renamed, AW_root *aw_root, const char *reason); GB_ERROR MG_expect_renamed(); int MG_check_alignment(AW_window *aww, int fast = 0); // export of gene-species: void MG_create_gene_species_awars(AW_root *aw_root, AW_default aw_def); AW_window *MG_gene_species_create_field_transfer_def_window(AW_root *aw_root); GB_ERROR MG_export_fields(AW_root *aw_root, GBDATA *gb_source, GBDATA *gb_dest, GB_HASH *error_suppressor, GB_HASH *source_organism_hash); // export defined fields #define AWAR_REMAP_SPECIES_LIST "merge/remap_species_list" #define AWAR_REMAP_ENABLE "merge/remap_enable" #define AWAR_MERGE_GENE_SPECIES_BASE "merge/gene_species/" const char *MG_left_AWAR_SPECIES_NAME(); const char *MG_right_AWAR_SPECIES_NAME(); class MG_remap { int in_length; int out_length; int *remap_tab; int *soft_remap_tab; int compiled; public: MG_remap(); ~MG_remap(); GB_ERROR set(const char *in_reference, const char *out_reference); // returns only warnings GB_ERROR compile(); // after last set char *remap(const char *sequence); // returns 0 on error, else copy of sequence }; class AW_root; class MG_remaps { public: int n_remaps; char **alignment_names; MG_remap **remaps; MG_remaps(GBDATA *gb_left,GBDATA *gb_right,AW_root *awr); ~MG_remaps(); }; #ifndef MG_MERGE_HXX #include "mg_merge.hxx" #endif #else #error merge.hxx included twice #endif // MERGE_HXX ./arbsrc_9167/MERGE/MG_alignment.cxx0000644012664100000130000003134411440743000017061 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" #define AWAR1 "tmp/merge1/" #define AWAR2 "tmp/merge2/" #define AWAR_ALI1 AWAR1"alignment_name" #define AWAR_ALI2 AWAR2"alignment_name" void MG_alignment_vars_callback(AW_root *aw_root,GBDATA *gbd, long ali_nr) { char buffer[256]; GB_push_transaction(gbd); sprintf(buffer,"tmp/merge%li/alignment_name",ali_nr); char *use = aw_root->awar(buffer)->read_string(); GBDATA *ali_cont = GBT_get_alignment(gbd,use); if (!ali_cont) { sprintf(buffer,"tmp/merge%li/alignment_type",ali_nr); aw_root->awar(buffer)->unmap(); sprintf(buffer,"tmp/merge%li/alignment_len",ali_nr); aw_root->awar(buffer)->unmap(); sprintf(buffer,"tmp/merge%li/aligned",ali_nr); aw_root->awar(buffer)->unmap(); sprintf(buffer,"tmp/merge%li/security",ali_nr); aw_root->awar(buffer)->unmap(); }else{ GBDATA *ali_len = GB_entry(ali_cont,"alignment_len"); GBDATA *ali_aligned = GB_entry(ali_cont,"aligned"); GBDATA *ali_type = GB_entry(ali_cont,"alignment_type"); GBDATA *ali_security = GB_entry(ali_cont,"alignment_write_security"); sprintf(buffer,"tmp/merge%li/alignment_type",ali_nr); aw_root->awar(buffer)->map(ali_type); sprintf(buffer,"tmp/merge%li/alignment_len",ali_nr); aw_root->awar(buffer)->map(ali_len); sprintf(buffer,"tmp/merge%li/aligned",ali_nr); aw_root->awar(buffer)->map(ali_aligned); sprintf(buffer,"tmp/merge%li/security",ali_nr); aw_root->awar(buffer)->map(ali_security); } GB_pop_transaction(gbd); free(use); } void MG_create_alignment_awars(AW_root *aw_root,AW_default aw_def) { aw_root->awar_string( AWAR_ALI1, "" , aw_def); aw_root->awar_string( AWAR_ALI2, "" , aw_def); aw_root->awar_string( AWAR1"alignment_dest", "" , aw_def); aw_root->awar_string( AWAR2"alignment_dest", "" , aw_def); aw_root->awar_string( AWAR1"alignment_type", "" , aw_def); aw_root->awar_string( AWAR2"alignment_type", "" , aw_def); aw_root->awar_int( AWAR1"alignment_len", 0 , aw_def); aw_root->awar_int( AWAR2"alignment_len", 0 , aw_def); aw_root->awar_int( AWAR1"aligned", 0 , aw_def); aw_root->awar_int( AWAR2"aligned", 0 , aw_def); aw_root->awar_int( AWAR1"security", 0 , aw_def); aw_root->awar_int( AWAR2"security", 0 , aw_def); } int MG_check_alignment(AW_window *aww,int fast) { AWUSE(aww); // check type and names !!!! char result[1024]; result[0] = 0; if (!fast){ aw_openstatus("Checking alignments"); sleep(1); } GB_begin_transaction(GLOBAL_gb_dest); GB_begin_transaction(GLOBAL_gb_merge); char **names = GBT_get_alignment_names(GLOBAL_gb_merge); char **name; GBDATA *gb_ali1; GBDATA *gb_ali2; GBDATA *gb_presets2; for (name = names; *name; name++) { if (! (gb_ali2 = GBT_get_alignment(GLOBAL_gb_dest,*name)) ) { gb_ali1 = GBT_get_alignment(GLOBAL_gb_merge,*name); gb_presets2 = GB_search(GLOBAL_gb_dest,"presets",GB_CREATE_CONTAINER); gb_ali2 = GB_create_container(gb_presets2,"alignment"); GB_copy(gb_ali2,gb_ali1); GBT_add_new_changekey( GLOBAL_gb_dest, (char *)GBS_global_string("%s/data",*name),GB_STRING); } char *type1 = GBT_get_alignment_type_string(GLOBAL_gb_merge,*name); char *type2 = GBT_get_alignment_type_string(GLOBAL_gb_dest,*name); if (strcmp(type1,type2)) { sprintf(result,"The alignments '%s' have different types (%s != %s)", *name,type1,type2); break; } delete(type1); delete(type2); } GBT_free_names(names); GB_commit_transaction(GLOBAL_gb_dest); GB_commit_transaction(GLOBAL_gb_merge); if (strlen(result)) aw_message(result); if (!fast){ aw_closestatus(); } return strlen(result); } void MG_ad_al_delete_cb(AW_window *aww,AW_CL db_nr) { if (aw_ask_sure("Are you sure to delete all data belonging to this alignment?")) { char buffer[256]; sprintf(buffer,"tmp/merge%li/alignment_name",db_nr); GBDATA *gbd = (db_nr == 1) ? GLOBAL_gb_merge : GLOBAL_gb_dest; char *source = aww->get_root()->awar(buffer)->read_string(); { GB_transaction ta(gbd); GB_ERROR error = GBT_rename_alignment(gbd,source,0,0,1); if (error) { error = ta.close(error); aw_message(error); } } free(source); } } void MG_ed_al_check_len_cb(AW_window *aww,AW_CL db_nr) { char *error = 0; char buffer[256]; sprintf(buffer,"tmp/merge%li/alignment_name",db_nr); GBDATA *gbd = (db_nr == 1) ? GLOBAL_gb_merge : GLOBAL_gb_dest; char *use = aww->get_root()->awar(buffer)->read_string(); GB_begin_transaction(gbd); if (!error) error = (char *)GBT_check_data(gbd,use); GB_commit_transaction(gbd); if (error) aw_message(error); delete use; } void MG_copy_delete_rename(AW_window * aww, AW_CL db_nr, AW_CL dele) { GBDATA *gbd = (db_nr == 1) ? GLOBAL_gb_merge : GLOBAL_gb_dest; char *source = aww->get_root()->awar(GBS_global_string("tmp/merge%li/alignment_name", db_nr))->read_string(); char *dest = aww->get_root()->awar(GBS_global_string("tmp/merge%li/alignment_dest", db_nr))->read_string(); GB_ERROR error = GB_begin_transaction(gbd); if (!error) error = GBT_rename_alignment(gbd, source, dest, (int)1, (int)dele); if (!error) error = GBT_add_new_changekey(gbd, GBS_global_string("%s/data", dest), GB_STRING); error = GB_end_transaction(gbd, error); aww->hide_or_notify(error); free(source); free(dest); } AW_window *create_alignment_copy_window(AW_root *root,AW_CL db_nr) { AW_window_simple *aws = new AW_window_simple; char header[80]; sprintf(header,"ALIGNMENT COPY %li",db_nr); aws->init( root, header, header); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the alignment"); aws->at("input"); char buffer[256]; sprintf(buffer,"tmp/merge%li/alignment_dest",db_nr); aws->create_input_field(buffer,15); aws->at("ok"); aws->callback(MG_copy_delete_rename,db_nr,0); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *MG_create_alignment_rename_window(AW_root *root,AW_CL db_nr) { AW_window_simple *aws = new AW_window_simple; char header[80]; sprintf(header,"ALIGNMENT RENAME %li",db_nr); aws->init( root, header,header); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new alignment"); aws->at("input"); char buffer[256]; sprintf(buffer,"tmp/merge%li/alignment_dest",db_nr); aws->create_input_field(buffer,15); aws->at("ok"); aws->callback(MG_copy_delete_rename,db_nr,1); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void MG_aa_create_alignment(AW_window *aww,AW_CL db_nr) { GBDATA *gbd = (db_nr == 1) ? GLOBAL_gb_merge : GLOBAL_gb_dest; const char *name_field = GBS_global_string("tmp/merge%li/alignment_dest", db_nr); char *name = aww->get_root()->awar(name_field)->read_string(); GB_ERROR error = GB_begin_transaction(gbd); GBDATA *gb_alignment = GBT_create_alignment(gbd,name,0,0,0,"dna"); if (!gb_alignment) error = GB_await_error(); GB_end_transaction_show_error(gbd, error, aw_message); free(name); } AW_window *MG_create_alignment_create_window(AW_root *root,AW_CL db_nr) { AW_window_simple *aws = new AW_window_simple; char header[80]; sprintf(header,"ALIGNMENT CREATE %li",db_nr); aws->init( root, header,header); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the alignment"); aws->at("input"); char buffer[256]; sprintf(buffer,"tmp/merge%li/alignment_dest",db_nr); aws->create_input_field(buffer,15); aws->at("ok"); aws->callback(MG_aa_create_alignment,db_nr); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *MG_create_alignment_window(AW_root *root,AW_CL db_nr) { char buffer[256]; GBDATA *gbd = (db_nr == 1) ? GLOBAL_gb_merge : GLOBAL_gb_dest; AW_window_simple *aws = new AW_window_simple; char header[80]; sprintf(header,"ALIGNMENT CONTROL %li",db_nr); aws->init( root, header, header); aws->load_xfig("merge/ad_align.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"ad_align.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->button_length(13); aws->at("list"); sprintf(buffer,"tmp/merge%li/alignment_name",db_nr); awt_create_selection_list_on_ad(gbd,(AW_window *)aws,buffer,"*="); aws->at("delete"); aws->callback(MG_ad_al_delete_cb,db_nr); aws->create_button("DELETE","DELETE","D"); aws->at("rename"); aws->callback(AW_POPUP,(AW_CL)MG_create_alignment_rename_window,db_nr); aws->create_button("RENAME","RENAME","R"); aws->at("create"); aws->callback(AW_POPUP,(AW_CL)MG_create_alignment_create_window,db_nr); aws->create_button("CREATE","CREATE","N"); aws->at("copy"); aws->callback(AW_POPUP,(AW_CL)create_alignment_copy_window,db_nr); aws->create_button("COPY","COPY","C"); aws->at("aligned"); sprintf(buffer,"tmp/merge%li/aligned",db_nr); aws->create_option_menu(buffer); aws->insert_option("justified","j",1); aws->insert_default_option("not justified","n",0); aws->update_option_menu(); aws->at("len"); sprintf(buffer,"tmp/merge%li/alignment_len",db_nr); aws->create_input_field(buffer,8); aws->at("type"); sprintf(buffer,"tmp/merge%li/alignment_type",db_nr); aws->create_option_menu(buffer); aws->insert_option("dna","d","dna"); aws->insert_option("rna","r","rna"); aws->insert_option("pro","p","ami"); aws->insert_default_option("???","?","usr"); aws->update_option_menu(); aws->at("security"); sprintf(buffer,"tmp/merge%li/security",db_nr); // aws->get_root()->awar(buffer)->add_callback(MG_ed_al_check_len_cb,db_nr); aws->callback(MG_ed_al_check_len_cb,db_nr); aws->create_option_menu(buffer); aws->insert_option("0","0",0); aws->insert_option("1","1",1); aws->insert_option("2","2",2); aws->insert_option("3","3",3); aws->insert_option("4","4",4); aws->insert_option("5","5",5); aws->insert_default_option("6","6",6); aws->update_option_menu(); return (AW_window *)aws; } AW_window *MG_merge_alignment_cb(AW_root *awr){ static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; awr->awar(AWAR_ALI1)->add_callback( (AW_RCB)MG_alignment_vars_callback,(AW_CL)GLOBAL_gb_merge,1); awr->awar(AWAR_ALI2)->add_callback( (AW_RCB)MG_alignment_vars_callback,(AW_CL)GLOBAL_gb_dest,2); aws = new AW_window_simple; aws->init( awr, "MERGE_ALIGNMENTS", "MERGE ALIGNMENTS"); aws->load_xfig("merge/alignment.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_alignment.hlp"); aws->create_button("HELP","HELP","H"); aws->at("check"); aws->callback((AW_CB1)MG_check_alignment,0); aws->create_button("CHECK","Check"); aws->at("ali1"); awt_create_selection_list_on_ad(GLOBAL_gb_merge,(AW_window *)aws,AWAR_ALI1,"*="); aws->at("ali2"); awt_create_selection_list_on_ad(GLOBAL_gb_dest,(AW_window *)aws,AWAR_ALI2,"*="); aws->at("modify1"); aws->callback(AW_POPUP,(AW_CL)MG_create_alignment_window,1); aws->create_button("MODIFY_DB1","MODIFY"); aws->at("modify2"); aws->callback(AW_POPUP,(AW_CL)MG_create_alignment_window,2); aws->create_button("MODIFY_DB2","MODIFY"); aws->button_length(0); aws->shadow_width(1); aws->at("icon"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_alignment.hlp"); aws->create_button("HELP_MERGE", "#merge/icon.bitmap"); return (AW_window *)aws; } ./arbsrc_9167/MERGE/MG_checkfield.cxx0000644012664100000130000002715711440743000017173 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" #define AWAR_SOURCE_FIELD "/tmp/merge1/chk/source" #define AWAR_DEST_FIELD "/tmp/merge1/chk/dest" #define AWAR_TOUPPER "/tmp/merge1/chk/ToUpper" #define AWAR_EXCLUDE "/tmp/merge1/chk/exclude" #define AWAR_CORRECT "/tmp/merge1/chk/correct" #define AWAR_ETAG "/tmp/merge1/chk/tag" int gbs_cmp_strings(char *str1,char *str2, int *tab){ /* returns 0 if strings are equal */ char *s1,*s2; int c1,c2; s1 = str1; s2 = str2; int count = 10; do { do { c1= *(s1++); } while (tab[c1] < 0); do { c2= *(s2++); } while (tab[c2] < 0); if (tab[c1] != tab[c2]) { /* difference found */ return 1; } count --; } while (count && c1 && c2); return 0; } char *GBS_diff_strings(char *str1,char * &str2, char *exclude , long ToUpper, long correct, char **res1, char **res2, long *corrrected){ char buffer1[256]; char buffer2[256]; char *dest1 = buffer1; char *dest2 = buffer2; char *s1,*s2; int c1,c2; int count = 3; int tab[256]; int i; s1 = str1; s2 = str2; *dest1 = 0; *dest2 = 0; tab[0] = 0; char gapchar = '#'; if (strlen(exclude)) gapchar = exclude[0]; else exclude = 0; for (i=1;i<256;i++) { tab[i] = i; if (exclude && strchr(exclude,i)) { tab[i] = -1; continue; } if (ToUpper && i>= 'a' && i<= 'z' ){ tab[i] = i-'a'+'A'; } } do { do { c1= *(s1++); } while (tab[c1] < 0); do { c2= *(s2++); } while (tab[c2] < 0); if (tab[c1] != tab[c2]) { /* difference found */ if (correct) { /* check subsitution */ { int c = s2[-1]; s2[-1] = s1[-1]; if (toupper(c1) == toupper(c2) || !gbs_cmp_strings(s1,s2,&tab[0]) ){ *corrrected = 1; continue; } s2[-1] = c; } /* check insertion in s2 */ if (!gbs_cmp_strings(s1-1,s2,&tab[0]) ){ s2[-1] = gapchar; do { c2= *(s2++); } while (tab[c2] < 0); /* eat s2 */ *corrrected = 1; continue; } /* check deletion in s2 */ if ( !gbs_cmp_strings(s1,s2-1,&tab[0]) ){ int toins = c1; char *toinspos = s2-1; if (toinspos > str2) toinspos--; if (tab[(unsigned char)toinspos[0]]> 0) { /* real insertion */ GBS_strstruct *str = GBS_stropen(strlen(str2+10)); int pos = s2-str2-1; GBS_strncat(str,str2,pos); GBS_chrcat(str,toins); GBS_strcat(str,str2+pos); delete str2; str2 = GBS_strclose(str); s2 = str2+pos+1; *corrrected = 1; continue; } int side=1; /* 0 = left 1= right */ if ( tab[(unsigned char)s1[0]]<0 ) side = 0; if ( ! side ) { while ( toinspos > str2 && tab[(unsigned char)toinspos[-1]] < 0 ) toinspos--; } toinspos[0] = toins; *corrrected = 1; do { c1= *(s1++); } while (tab[c1] < 0); /* eat s1 */ continue; } } if (count >=0){ sprintf(dest1,"%ti ",s1-str1-1); sprintf(dest2,"%ti ",s2-str2-1); dest1 += strlen(dest1); dest2 += strlen(dest2); } count --; } } while (c1 && c2); if (c1 || c2) { sprintf(dest1,"... %ti ",s1-str1-1); sprintf(dest2,"... %ti ",s2-str2-1); dest1 += strlen(dest1); dest2 += strlen(dest2); } if (count<0){ sprintf(dest1,"and %i more",1-count); sprintf(dest2,"and %i more",1-count); dest1 += strlen(dest1); dest2 += strlen(dest2); } if (strlen(buffer1) ) { *res1 = strdup(buffer1); *res2 = strdup(buffer2); }else{ *res1 = 0; *res2 = 0; } return 0; } #undef IS_QUERIED #define IS_QUERIED(gb_species) (1 & GB_read_usr_private(gb_species)) void mg_check_field_cb(AW_window *aww){ AW_root *root = aww->get_root(); GB_ERROR error = 0; char *source = root->awar(AWAR_SOURCE_FIELD)->read_string(); char *dest = root->awar(AWAR_DEST_FIELD)->read_string(); char *exclude = root->awar(AWAR_EXCLUDE)->read_string(); long ToUpper = root->awar(AWAR_TOUPPER)->read_int(); long correct = root->awar(AWAR_CORRECT)->read_int(); char *tag = root->awar(AWAR_ETAG)->read_string(); if (source[0] == 0) { error = "Please select a source field"; } else if (dest[0] == 0) { error = "Please select a dest field"; } else { aw_openstatus("Checking fields"); error = GB_begin_transaction(GLOBAL_gb_merge); if (!error) { error = GB_begin_transaction(GLOBAL_gb_dest); GBDATA *gb_species_data1 = GB_search(GLOBAL_gb_merge, "species_data", GB_CREATE_CONTAINER); GBDATA *gb_species_data2 = GB_search(GLOBAL_gb_dest, "species_data", GB_CREATE_CONTAINER); GBDATA *gb_species1; GBDATA *gb_species2; int sum_species = 0; int species_count = 0; // First step: count selected species for (gb_species1 = GBT_first_species_rel_species_data(gb_species_data1); gb_species1 && !error; gb_species1 = GBT_next_species(gb_species1)) { if (IS_QUERIED(gb_species1)) sum_species++; } // Delete all 'dest' fields in gb_database 2 for (gb_species2 = GBT_first_species_rel_species_data(gb_species_data2); gb_species2 && !error; gb_species2 = GBT_next_species(gb_species2)) { GBDATA *gbd = GB_search(gb_species2,dest,GB_FIND); if (gbd) error = GB_delete(gbd); } for (gb_species1 = GBT_first_species_rel_species_data(gb_species_data1); gb_species1 && !error; gb_species1 = GBT_next_species(gb_species1)) { { GBDATA *gbd = GB_search(gb_species1,dest,GB_FIND); if (gbd) error = GB_delete(gbd); } if (!error) { if (IS_QUERIED(gb_species1)) { species_count++; if ((species_count & 0xf) == 0) aw_status(species_count/ (double)sum_species); const char *name1 = GBT_read_name(gb_species1); gb_species2 = GB_find_string(gb_species_data2, "name", name1, GB_IGNORE_CASE, down_2_level); if (!gb_species2) { aw_message(GBS_global_string("WARNING: Species %s not found in DB II", name1)); } else { gb_species2 = GB_get_father(gb_species2); GBDATA *gb_field1 = GB_search(gb_species1,source,GB_FIND); GBDATA *gb_field2 = GB_search(gb_species2,source,GB_FIND); char *s1 = gb_field1 ? GB_read_as_tagged_string(gb_field1, tag) : 0; char *s2 = gb_field2 ? GB_read_as_tagged_string(gb_field2, tag) : 0; if (s1 || s2) { char *positions1 = 0; char *positions2 = 0; if (s1 && s2) { long corrected = 0; GBS_diff_strings(s1,s2,exclude,ToUpper,correct,&positions1,&positions2,&corrected); if (corrected) { error = GB_write_as_string(gb_field2,s2); if (!error) error = GB_write_flag(gb_species2,1); } } else { positions1 = GBS_global_string_copy("field missing in %s DB", s1 ? "other" : "this"); positions2 = GBS_global_string_copy("field missing in %s DB", s2 ? "other" : "this"); } if (positions1 && !error) { error = GBT_write_string(gb_species2, dest, positions2); if (!error) error = GBT_write_string(gb_species1, dest, positions1); } free(positions2); free(positions1); } free(s2); free(s1); } } } } aw_closestatus(); error = GB_end_transaction(GLOBAL_gb_merge, error); error = GB_end_transaction(GLOBAL_gb_dest, error); } } if (error) aw_message(error); free(tag); free(exclude); free(dest); free(source); } AW_window *create_mg_check_fields(AW_root *aw_root){ AW_window_simple *aws = 0; aw_root->awar_string(AWAR_SOURCE_FIELD); aw_root->awar_string(AWAR_DEST_FIELD,"tmp",AW_ROOT_DEFAULT); aw_root->awar_string(AWAR_EXCLUDE,".-",AW_ROOT_DEFAULT); aw_root->awar_string(AWAR_ETAG,""); aw_root->awar_int(AWAR_TOUPPER); aw_root->awar_int(AWAR_CORRECT); aws = new AW_window_simple; aws->init( aw_root, "MERGE_COMPARE_FIELDS","COMPARE DATABASE FIELDS"); aws->load_xfig("merge/seqcheck.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"checkfield.hlp"); aws->create_button("HELP","HELP","H"); aws->at("exclude"); aws->create_input_field(AWAR_EXCLUDE); aws->at("toupper"); aws->create_toggle(AWAR_TOUPPER); aws->at("correct"); aws->create_toggle(AWAR_CORRECT); aws->at("tag"); aws->create_input_field(AWAR_ETAG,6); awt_create_selection_list_on_scandb(GLOBAL_gb_dest,aws,AWAR_SOURCE_FIELD, AWT_STRING_FILTER, "source",0, &AWT_species_selector, 20, 10); awt_create_selection_list_on_scandb(GLOBAL_gb_dest,aws,AWAR_DEST_FIELD, (1<at("go"); aws->highlight(); aws->callback(mg_check_field_cb); aws->create_button("GO","GO"); return (AW_window *)aws; } ./arbsrc_9167/MERGE/MG_configs.cxx0000644012664100000130000002065211440743000016533 0ustar arb_buildcoders// ==================================================================== // // // // File : MG_configs.cxx // // Purpose : Merge editor configurations // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" #define AWAR_CONFIG_NAME1 "tmp/merge1/config_name" #define AWAR_CONFIG_DEST1 "tmp/merge1/config_dest" #define AWAR_CONFIG_NAME2 "tmp/merge2/config_name" #define AWAR_CONFIG_DEST2 "tmp/merge2/config_dest" void MG_create_config_awar(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string( AWAR_CONFIG_NAME1, "" , aw_def); aw_root->awar_string( AWAR_CONFIG_DEST1, "" , aw_def); aw_root->awar_string( AWAR_CONFIG_NAME2, "" , aw_def); aw_root->awar_string( AWAR_CONFIG_DEST2, "" , aw_def); } void MG_config_rename_cb(AW_window *aww, GBDATA *gbd, int config_nr) { const char *tsource = config_nr == 1 ? AWAR_CONFIG_NAME1 : AWAR_CONFIG_NAME2; const char *tdest = config_nr == 1 ? AWAR_CONFIG_DEST1 : AWAR_CONFIG_DEST2; char *source = aww->get_root()->awar(tsource)->read_string(); char *dest = aww->get_root()->awar(tdest)->read_string(); GB_ERROR error = GB_check_key(dest); if (!error) { error = GB_begin_transaction(gbd); if (!error) { GBDATA *gb_config_data = GB_search(gbd, AWAR_CONFIG_DATA, GB_CREATE_CONTAINER); if (!gb_config_data) error = GB_await_error(); else { GBDATA *gb_dest_name = GB_find_string(gb_config_data, "name", dest, GB_IGNORE_CASE, down_2_level); if (gb_dest_name) error = GBS_global_string("Configuration '%s' already exists", dest); else { GBDATA *gb_source_name = GB_find_string(gb_config_data, "name", source, GB_IGNORE_CASE, down_2_level); if (gb_source_name) error = GB_write_string(gb_source_name, dest); else error = "Please select a configuration"; } } } error = GB_end_transaction(gbd, error); } aww->hide_or_notify(error); free(source); free(dest); } AW_window *MG_create_config_rename_window1(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "MERGE_RENAME_CONFIG_1", "CONFIGURATION RENAME 1"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the configuration"); aws->at("input"); aws->create_input_field(AWAR_CONFIG_DEST1,15); aws->at("ok"); aws->callback((AW_CB)MG_config_rename_cb,(AW_CL)GLOBAL_gb_merge,1); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *MG_create_config_rename_window2(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "MERGE_RENAME_CONFIG_2", "CONFIGURATION RENAME 2"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the configuration"); aws->at("input"); aws->create_input_field(AWAR_CONFIG_DEST2,15); aws->at("ok"); aws->callback((AW_CB)MG_config_rename_cb,(AW_CL)GLOBAL_gb_dest,2); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void MG_config_delete_cb(AW_window *aww,GBDATA *gbd, long config_nr) { const char *config_name_awar = config_nr == 1 ? AWAR_CONFIG_NAME1 : AWAR_CONFIG_NAME2; char *config_name = aww->get_root()->awar(config_name_awar)->read_string(); GB_ERROR error = GB_begin_transaction(gbd); if (!error) { GBDATA *gb_config_data = GB_search(gbd, AWAR_CONFIG_DATA, GB_CREATE_CONTAINER); GBDATA *gb_config_name = GB_find_string(gb_config_data, "name", config_name, GB_IGNORE_CASE, down_2_level); if (gb_config_name) { GBDATA *gb_config = GB_get_father(gb_config_name); error = GB_delete(gb_config); } else { error = "Select a config to delete"; } } GB_end_transaction_show_error(gbd, error, aw_message); free(config_name); } void MG_transfer_config(AW_window *aww) { AW_root *awr = aww->get_root(); char *source = awr->awar(AWAR_CONFIG_NAME1)->read_string(); char *dest = awr->awar(AWAR_CONFIG_NAME1)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_dest); if (!error) { error = GB_begin_transaction(GLOBAL_gb_merge); if (!error) { GBDATA *gb_config_data1 = GB_search(GLOBAL_gb_merge, AWAR_CONFIG_DATA, GB_CREATE_CONTAINER); GBDATA *gb_config_data2 = GB_search(GLOBAL_gb_dest, AWAR_CONFIG_DATA, GB_CREATE_CONTAINER); GBDATA *gb_cfgname_1 = GB_find_string(gb_config_data1, "name", source, GB_IGNORE_CASE, down_2_level); GBDATA *gb_cfgname_2 = GB_find_string(gb_config_data2, "name", dest, GB_IGNORE_CASE, down_2_level); if (!gb_cfgname_1) { error = "Please select the configuration you want to transfer"; } else if (gb_cfgname_2) { error = "To overwrite a configuration, delete it first!"; } else { GBDATA *gb_cfg_1 = GB_get_father(gb_cfgname_1); GBDATA *gb_cfg_2 = GB_create_container(gb_config_data2, "configuration"); error = GB_copy(gb_cfg_2, gb_cfg_1); } } } error = GB_end_transaction(GLOBAL_gb_merge, error); error = GB_end_transaction(GLOBAL_gb_dest, error); if (error) aw_message(error); free(source); free(dest); } AW_window *MG_merge_configs_cb(AW_root *awr) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( awr, "MERGE_CONFIGS", "MERGE CONFIGS"); aws->load_xfig("merge/configs.fig"); aws->button_length(20); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_configs.hlp"); aws->create_button("HELP","HELP","H"); aws->at("configs1"); awt_create_selection_list_on_configurations(GLOBAL_gb_merge,(AW_window *)aws,AWAR_CONFIG_NAME1); aws->at("configs2"); awt_create_selection_list_on_configurations(GLOBAL_gb_dest,(AW_window *)aws,AWAR_CONFIG_NAME2); aws->at("delete1"); aws->callback((AW_CB)MG_config_delete_cb,(AW_CL)GLOBAL_gb_merge,1); aws->create_button("DELETE CONFIG_DB1", "Delete Config"); aws->at("delete2"); aws->callback((AW_CB)MG_config_delete_cb,(AW_CL)GLOBAL_gb_dest,2); aws->create_button("DELETE_CONFIG_DB2", "Delete Config"); aws->at("rename1"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_create_config_rename_window1); aws->create_button("RENAME_CONFIG_DB1", "Rename Config"); aws->at("rename2"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_create_config_rename_window2); aws->create_button("RENAME_CONFIG_DB2", "Rename Config"); aws->at("transfer"); aws->callback(MG_transfer_config); aws->create_button("TRANSFER_CONFIG", "Transfer Config"); aws->button_length(0); aws->shadow_width(1); aws->at("icon"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_configs.hlp"); aws->create_button("HELP_MERGE", "#merge/icon.bitmap"); return (AW_window *)aws; } ./arbsrc_9167/MERGE/MG_extendeds.cxx0000644012664100000130000001737711440743000017100 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" #define AWAR_EX_NAME1 "tmp/merge1/extended_name" #define AWAR_EX_DEST1 "tmp/merge1/extended_dest" #define AWAR_EX_NAME2 "tmp/merge2/extended_name" #define AWAR_EX_DEST2 "tmp/merge2/extended_dest" void MG_create_extendeds_awars(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string( AWAR_EX_NAME1, "" , aw_def); aw_root->awar_string( AWAR_EX_DEST1, "" , aw_def); aw_root->awar_string( AWAR_EX_NAME2, "" , aw_def); aw_root->awar_string( AWAR_EX_DEST2, "" , aw_def); } void MG_extended_rename_cb(AW_window *aww,GBDATA *gbmain, int ex_nr) { char *source = aww->get_root()->awar(GBS_global_string("tmp/merge%i/extended_name", ex_nr))->read_string(); char *dest = aww->get_root()->awar(GBS_global_string("tmp/merge%i/extended_dest", ex_nr))->read_string(); GB_ERROR error = GB_begin_transaction(gbmain); if (!error) { GBDATA *gb_sai_data = GBT_get_SAI_data(gbmain); if (!gb_sai_data) error = GB_await_error(); else { GBDATA *gb_sai = GBT_find_SAI_rel_SAI_data(gb_sai_data, source); GBDATA *gb_dest_sai = GBT_find_SAI_rel_SAI_data(gb_sai_data, dest); if (gb_dest_sai) error = GBS_global_string("SAI '%s' already exists", dest); else if (!gb_sai) error = "Please select a SAI"; else error = GBT_write_string(gb_sai, "name", dest); } } error = GB_end_transaction(gbmain, error); aww->hide_or_notify(error); free(dest); free(source); } AW_window *MG_create_extended_rename_window1(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "MERGE_RENAME_SAI_1", "SAI RENAME 1"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the SAI"); aws->at("input"); aws->create_input_field(AWAR_EX_DEST1,15); aws->at("ok"); aws->callback((AW_CB)MG_extended_rename_cb,(AW_CL)GLOBAL_gb_merge,1); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *MG_create_extended_rename_window2(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "MERGE_RENAME_SAI_2", "SAI RENAME 2"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the SAI"); aws->at("input"); aws->create_input_field(AWAR_EX_DEST2,15); aws->at("ok"); aws->callback((AW_CB)MG_extended_rename_cb,(AW_CL)GLOBAL_gb_dest,2); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void MG_extended_delete_cb(AW_window *aww, GBDATA *gbmain, int ex_nr) { GB_ERROR error = GB_begin_transaction(gbmain); if (!error) { const char *tsource = GBS_global_string("tmp/merge%i/extended_name", ex_nr); char *source = aww->get_root()->awar(tsource)->read_string(); GBDATA *gb_sai = GBT_find_SAI(gbmain, source); if (gb_sai) error = GB_delete(gb_sai); else error = "Please select a SAI first"; free(source); } GB_end_transaction_show_error(gbmain, error, aw_message); } void MG_transfer_extended(AW_window *aww, AW_CL force){ AW_root *awr = aww->get_root(); char *source = awr->awar(AWAR_EX_NAME1)->read_string(); char *dest = awr->awar(AWAR_EX_NAME1)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_dest); if (!error) error = GB_begin_transaction(GLOBAL_gb_merge); if (!error) { GBDATA *gb_source = GBT_find_SAI(GLOBAL_gb_merge,dest); if (!gb_source) error = "Please select the SAI you want to transfer"; else { GBDATA *gb_sai_data2 = GBT_get_SAI_data(GLOBAL_gb_dest); if (!gb_sai_data2) error = GB_await_error(); else { GBDATA *gb_dest_sai = GBT_find_SAI_rel_SAI_data(gb_sai_data2,dest); if(gb_dest_sai) { if (force) error = GB_delete(gb_dest_sai); else error = GBS_global_string("SAI '%s' exists, delete it first", dest); } if (!error) { gb_dest_sai = GB_create_container(gb_sai_data2, "extended"); if (!gb_dest_sai) error = GB_await_error(); else error = GB_copy(gb_dest_sai,gb_source); } } } } error = GB_end_transaction(GLOBAL_gb_dest, error); error = GB_end_transaction(GLOBAL_gb_merge, error); if (error) aw_message(error); free(source); free(dest); } void MG_map_extended1(AW_root *aw_root, AW_CL scannerid) { char *source = aw_root->awar(AWAR_EX_NAME1)->read_string(); GB_push_transaction(GLOBAL_gb_merge); GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_merge,source); awt_map_arbdb_scanner(scannerid,gb_sai,0, CHANGE_KEY_PATH); GB_pop_transaction(GLOBAL_gb_merge); free(source); } void MG_map_extended2(AW_root *aw_root, AW_CL scannerid) { char *source = aw_root->awar(AWAR_EX_NAME2)->read_string(); GB_push_transaction(GLOBAL_gb_dest); GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_dest,source); awt_map_arbdb_scanner(scannerid,gb_sai,0, CHANGE_KEY_PATH); GB_pop_transaction(GLOBAL_gb_dest); free(source); } AW_window *MG_merge_extendeds_cb(AW_root *awr){ static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( awr, "MERGE_SAI", "MERGE SAI"); aws->load_xfig("merge/extended.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_extendeds.hlp"); aws->create_button("HELP","HELP","H"); aws->at("ex1"); awt_create_selection_list_on_extendeds(GLOBAL_gb_merge,(AW_window *)aws,AWAR_EX_NAME1); AW_CL scannerid = awt_create_arbdb_scanner(GLOBAL_gb_merge, aws, "info1",0,0,0,AWT_SCANNER,0,0,0, &AWT_species_selector); aws->get_root()->awar(AWAR_EX_NAME1)->add_callback(MG_map_extended1,scannerid); aws->at("ex2"); awt_create_selection_list_on_extendeds(GLOBAL_gb_dest,(AW_window *)aws,AWAR_EX_NAME2); scannerid = awt_create_arbdb_scanner(GLOBAL_gb_dest, aws, "info2",0,0,0,AWT_SCANNER,0,0,0, &AWT_species_selector); aws->get_root()->awar(AWAR_EX_NAME2)->add_callback(MG_map_extended2,scannerid); aws->button_length(20); aws->at("delete1"); aws->callback((AW_CB)MG_extended_delete_cb,(AW_CL)GLOBAL_gb_merge,1); aws->create_button("DELETE_SAI_DB1", "Delete SAI"); aws->at("delete2"); aws->callback((AW_CB)MG_extended_delete_cb,(AW_CL)GLOBAL_gb_dest,2); aws->create_button("DELETE_SAI_DB2", "Delete SAI"); aws->at("rename1"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_create_extended_rename_window1); aws->create_button("RENAME_SAI_DB1", "Rename SAI"); aws->at("rename2"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_create_extended_rename_window2); aws->create_button("RENAME_SAI_DB2", "Rename SAI"); aws->at("transfer"); aws->callback(MG_transfer_extended,0); aws->create_button("TRANSFER_SAI", "Transfer SAI"); aws->button_length(0); aws->shadow_width(1); aws->at("icon"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_extendeds.hlp"); aws->create_button("HELP_MERGE", "#merge/icon.bitmap"); return (AW_window *)aws; } ./arbsrc_9167/MERGE/MG_gene_species.cxx0000644012664100000130000006213111440743000017532 0ustar arb_buildcoders// ==================================================================== // // // // File : MG_gene_species.cxx // // Purpose : Transfer fields from organism and gene when // // tranferring gene species // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include #include #include #include #include #include #include #include "merge.hxx" using namespace std; // for input : #define AWAR_MERGE_GENE_SPECIES_BASE_TMP "tmp/" AWAR_MERGE_GENE_SPECIES_BASE #define AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD AWAR_MERGE_GENE_SPECIES_BASE_TMP "current" #define AWAR_MERGE_GENE_SPECIES_DEST AWAR_MERGE_GENE_SPECIES_BASE_TMP "dest" #define AWAR_MERGE_GENE_SPECIES_SOURCE AWAR_MERGE_GENE_SPECIES_BASE_TMP "source" #define AWAR_MERGE_GENE_SPECIES_METHOD AWAR_MERGE_GENE_SPECIES_BASE_TMP "method" #define AWAR_MERGE_GENE_SPECIES_ACI AWAR_MERGE_GENE_SPECIES_BASE_TMP "aci" #define AWAR_MERGE_GENE_SPECIES_EXAMPLE AWAR_MERGE_GENE_SPECIES_BASE_TMP "example" #define AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE AWAR_MERGE_GENE_SPECIES_BASE_TMP "save" // only used to save/load config // saved awars : #define AWAR_MERGE_GENE_SPECIES_CREATE_FIELDS AWAR_MERGE_GENE_SPECIES_BASE "activated" #define AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS AWAR_MERGE_GENE_SPECIES_BASE "field_defs" enum CreationMethod { MG_CREATE_COPY_ORGANISM, MG_CREATE_COPY_GENE, MG_CREATE_USING_ACI_ONLY }; static AW_default MG_props = 0; // pointer current applications properties database // -------------------------------------------------------------------------------- // void MG_create_gene_species_awars(AW_root *aw_root, AW_default aw_def) // -------------------------------------------------------------------------------- void MG_create_gene_species_awars(AW_root *aw_root, AW_default aw_def) { aw_root->awar_int(AWAR_MERGE_GENE_SPECIES_METHOD, 0, aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_ACI, "", aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD, "", aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_DEST, "", aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_EXAMPLE, "", aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_SOURCE, "", aw_def); aw_root->awar_int(AWAR_MERGE_GENE_SPECIES_CREATE_FIELDS, 0, aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS, ";", aw_def); aw_root->awar_string(AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE, "", aw_def); MG_props = aw_def; } #define BUFSIZE 100 inline char *strcpydest(char *dest, const char *src) { // like strcpy, but returns pointer to zero terminator int i = 0; while (src[i]) { dest[i] = src[i]; i++; } dest[i] = 0; return dest+i; } inline const char *field_awar(const char *field_name, const char *subfield) { static char buffer[BUFSIZE]; char *end = strcpydest(strcpydest(buffer, AWAR_MERGE_GENE_SPECIES_BASE"def_"), field_name); *end++ = '/'; end = strcpydest(end, subfield); mg_assert((end-buffer)awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->read_string()); if (cur_field[0]) return field_awar(cur_field, subfield); return 0; // no field definition selected } // ------------------------------------------------------------------------------------- // static void create_awars_for_field(AW_root *aw_root, const char *cur_field) // ------------------------------------------------------------------------------------- // Note : MG_current_field_def_changed_cb also creates these awars! static void create_awars_for_field(AW_root *aw_root, const char *cur_field) { aw_root->awar_string(field_awar(cur_field, "source"), cur_field, MG_props); aw_root->awar_int(field_awar(cur_field, "method"), 1, MG_props); aw_root->awar_string(field_awar(cur_field, "aci"), "", MG_props); } static char *MG_create_field_content(GBDATA *gb_species, CreationMethod method, const char *origins_field, const char *aci, GB_ERROR& error, GB_HASH *organism_hash) { // does not write to database (only creates the content) mg_assert(GEN_is_pseudo_gene_species(gb_species)); char *result = 0; GBDATA *gb_origin = 0; switch (method) { case MG_CREATE_COPY_ORGANISM: gb_origin = GEN_find_origin_organism(gb_species, organism_hash); if (!gb_origin) { error = GBS_global_string("Origin-Organism '%s' not found", GEN_origin_organism(gb_species)); } break; case MG_CREATE_COPY_GENE: gb_origin = GEN_find_origin_gene(gb_species, organism_hash); if (!gb_origin) { error = GBS_global_string("Origin-Gene '%s/%s' not found", GEN_origin_organism(gb_species), GEN_origin_gene(gb_species)); } break; case MG_CREATE_USING_ACI_ONLY: break; } if (gb_origin) { // read source field if (origins_field[0]) { GBDATA *gb_field = GB_entry(gb_origin, origins_field); if (!gb_field) { error = GBS_global_string("Field not found: '%s'", origins_field); } else { result = GB_read_as_string(gb_field); } } else { error = "Specify a 'Source field'"; } } if (!error) { char *aci_result = 0; if (method == MG_CREATE_USING_ACI_ONLY) { mg_assert(!result); aci_result = GB_command_interpreter(GLOBAL_gb_merge, "", aci, gb_species, 0); if (!aci_result) error = GB_await_error(); } else { if (aci && aci[0]) { aci_result = GB_command_interpreter(GLOBAL_gb_merge, result ? result : "", aci, gb_origin, 0); if (!aci_result) error = GB_await_error(); } } if (aci_result) freeset(result, aci_result); } if (error) freeset(result, 0); mg_assert(result||error); return result; } GB_ERROR MG_export_fields(AW_root *aw_root, GBDATA *gb_source, GBDATA *gb_dest, GB_HASH *error_suppressor, GB_HASH *source_organism_hash) { // Export fields from pseudo-species' source-organism to exported destination-species // error_suppressor and source_organism_hash may be NULL GB_ERROR error = 0; int export_fields = aw_root->awar(AWAR_MERGE_GENE_SPECIES_CREATE_FIELDS)->read_int(); if (export_fields) { // should fields be exported ? mg_assert(GEN_is_pseudo_gene_species(gb_source)); char *existing_definitions = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->read_string(); char *start = existing_definitions+1; mg_assert(existing_definitions[0] == ';'); while (!error && start[0]) { // parse existing definitions and add them to selection list char *end = strchr(start, ';'); if (!end) end = strchr(start, 0); int len = end-start; if (len<1) break; mg_assert(end[0] == ';'); end[0] = 0; // export one field (start contains destination field name) { create_awars_for_field(aw_root, start); CreationMethod method = (CreationMethod)aw_root->awar(field_awar(start, "method"))->read_int(); char *source = aw_root->awar(field_awar(start, "source"))->read_string(); char *aci = aw_root->awar(field_awar(start, "aci"))->read_string(); char *result = MG_create_field_content(gb_source, method, source, aci, error, source_organism_hash); mg_assert(result || error); if (result) { error = GBT_write_string(gb_dest, start, result); free(result); } else { long error_seen = error_suppressor ? GBS_read_hash(error_suppressor, error) : 0; #define MAX_EQUAL_WARNINGS 10 if (error_seen >= MAX_EQUAL_WARNINGS) { if (error_seen == MAX_EQUAL_WARNINGS) { aw_message(GBS_global_string("More than %i warnings about '%s' (suppressing)", MAX_EQUAL_WARNINGS, error)); } } else { aw_message(GBS_global_string("'%s' when exporting %s (continuing)", error, GBT_read_name(gb_source))); } if (error_suppressor) GBS_incr_hash(error_suppressor, error); error = 0; } free(aci); free(source); } start = end+1; } free(existing_definitions); } return 0; } static char *MG_create_current_field_content(AW_root *aw_root, GBDATA *gb_species, GB_ERROR& error) { CreationMethod method = (CreationMethod)aw_root->awar(AWAR_MERGE_GENE_SPECIES_METHOD)->read_int(); char *origins_field = aw_root->awar(AWAR_MERGE_GENE_SPECIES_SOURCE)->read_string(); char *aci = aw_root->awar(AWAR_MERGE_GENE_SPECIES_ACI)->read_string(); char *result = MG_create_field_content(gb_species, method, origins_field, aci, error, 0); free(aci); free(origins_field); return result; } static void MG_update_example(AW_root *aw_root) { char *result = 0; GB_ERROR error = 0; char *curr_species = aw_root->awar(MG_left_AWAR_SPECIES_NAME())->read_string(); if (!curr_species || !curr_species[0]) error = "No species selected."; else { GB_transaction dummy(GLOBAL_gb_merge); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_merge, curr_species); if (!gb_species) error = GB_export_errorf("No such species: '%s'", curr_species); else if (!GEN_is_pseudo_gene_species(gb_species)) error = "Selected species is no gene-species"; else { result = MG_create_current_field_content(aw_root, gb_species, error); } } if (!error && !result) error = "no result"; if (error) freeset(result, GBS_global_string_copy("<%s>", error)); aw_root->awar(AWAR_MERGE_GENE_SPECIES_EXAMPLE)->write_string(result); free(result); } static void check_and_correct_current_field(char*& cur_field) { if (ARB_stricmp(cur_field, "name") == 0 || ARB_stricmp(cur_field, "acc") == 0) { aw_message("rules writing to 'name' or 'acc' are not allowed."); freeset(cur_field, GBS_global_string_copy("%s_not_allowed", cur_field)); } } static bool allow_callbacks = true; static void MG_current_field_def_changed_cb(AW_root *aw_root) { if (allow_callbacks) { allow_callbacks = false; char *cur_field = aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->read_string(); check_and_correct_current_field(cur_field); aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->write_string(cur_field); aw_root->awar(AWAR_MERGE_GENE_SPECIES_DEST)->write_string(cur_field); if (cur_field[0]) { const char *awar_name = field_awar(cur_field, "source"); // read stored source field (if undef default to new value of destination field) char *source_field = aw_root->awar_string(awar_name, cur_field, MG_props)->read_string(); aw_root->awar(AWAR_MERGE_GENE_SPECIES_SOURCE)->write_string(source_field); free(source_field); // read stored method (if undef then default to currently visible method) awar_name = field_awar(cur_field, "method"); int def_method = aw_root->awar(AWAR_MERGE_GENE_SPECIES_METHOD)->read_int(); int method = aw_root->awar_int(awar_name, def_method, MG_props)->read_int(); aw_root->awar(AWAR_MERGE_GENE_SPECIES_METHOD)->write_int(method); // read stored aci (if undef then default to currently visible aci ) awar_name = field_awar(cur_field, "aci"); char *curr_aci = aw_root->awar(AWAR_MERGE_GENE_SPECIES_ACI)->read_string(); char *aci = aw_root->awar_string(awar_name, curr_aci, MG_props)->read_string(); aw_root->awar(AWAR_MERGE_GENE_SPECIES_ACI)->write_string(aci); free(aci); free(curr_aci); MG_update_example(aw_root); } free(cur_field); allow_callbacks = true; } } // ------------------------------------------------------------------ // static void MG_source_field_changed_cb(AW_root *aw_root) // ------------------------------------------------------------------ static void MG_source_field_changed_cb(AW_root *aw_root) { if (allow_callbacks) { const char *awar_name = current_field_awar(aw_root, "source"); if (awar_name) { // if a rule is selected char *source_field = aw_root->awar(AWAR_MERGE_GENE_SPECIES_SOURCE)->read_string(); int method = aw_root->awar(AWAR_MERGE_GENE_SPECIES_METHOD)->read_int(); if (source_field[0] && method == MG_CREATE_USING_ACI_ONLY) { aw_message("Source field is not used with this method"); source_field[0] = 0; } aw_root->awar(awar_name)->write_string(source_field); free(source_field); MG_update_example(aw_root); } } } // ---------------------------------------------------------------- // static void MG_dest_field_changed_cb(AW_root *aw_root) // ---------------------------------------------------------------- static void MG_dest_field_changed_cb(AW_root *aw_root) { if (allow_callbacks) { // if this is changed -> a new definition will be generated char *dest_field = aw_root->awar(AWAR_MERGE_GENE_SPECIES_DEST)->read_string(); check_and_correct_current_field(dest_field); const char *search = GBS_global_string(";%s;", dest_field); char *existing_definitions = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->read_string(); mg_assert(existing_definitions[0] == ';'); if (strstr(existing_definitions, search) == 0) { // not found -> create a new definition aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS) ->write_string(GBS_global_string("%s%s;", existing_definitions, dest_field)); } aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->write_string(dest_field); free(existing_definitions); free(dest_field); MG_update_example(aw_root); } } // ------------------------------------------------------------ // static void MG_method_changed_cb(AW_root *aw_root) // ------------------------------------------------------------ static void MG_method_changed_cb(AW_root *aw_root) { if (allow_callbacks) { const char *awar_name = current_field_awar(aw_root, "method"); if (awar_name) { int method = aw_root->awar(AWAR_MERGE_GENE_SPECIES_METHOD)->read_int(); aw_root->awar(awar_name)->write_int(method); if (method == MG_CREATE_USING_ACI_ONLY) { aw_root->awar(AWAR_MERGE_GENE_SPECIES_SOURCE)->write_string(""); // clear source field } MG_update_example(aw_root); } } } // ------------------------------------------------------------------ // static void MG_delete_selected_field_def(AW_window *aww) // ------------------------------------------------------------------ static void MG_delete_selected_field_def(AW_window *aww) { AW_root *aw_root = aww->get_root(); char *cur_field = aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->read_string(); if (cur_field[0]) { char *existing_definitions = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->read_string(); const char *search = GBS_global_string(";%s;", cur_field); mg_assert(existing_definitions[0] == ';'); char *found = strstr(existing_definitions, search); mg_assert(found); if (found) { strcpy(found, found+strlen(cur_field)+1); // remove that config aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->write_string(existing_definitions); aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->write_string(""); } free(existing_definitions); } else { aw_message("No field selected."); } free(cur_field); } // --------------------------------------------------------- // static void MG_aci_changed_cb(AW_root *aw_root) // --------------------------------------------------------- static void MG_aci_changed_cb(AW_root *aw_root) { if (allow_callbacks) { const char *awar_name = current_field_awar(aw_root, "aci"); if (awar_name) { // if a rule is selected char *aci = aw_root->awar(AWAR_MERGE_GENE_SPECIES_ACI)->read_string(); aw_root->awar(awar_name)->write_string(aci); free(aci); MG_update_example(aw_root); } } } // ------------------------------------------------------------------------------------------------------------------ // static void MG_update_selection_list_on_field_transfers(AW_root *aw_root, AW_CL cl_aww, AW_CL cl_sel_id) // ------------------------------------------------------------------------------------------------------------------ static void MG_update_selection_list_on_field_transfers(AW_root *aw_root, AW_CL cl_aww, AW_CL cl_sel_id) { AW_window *aww = (AW_window*)cl_aww; AW_selection_list *sel_id = (AW_selection_list*)cl_sel_id; // AW_root *aw_root = aww->get_root(); aww->clear_selection_list(sel_id); { char *existing_definitions = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->read_string(); char *start = existing_definitions+1; mg_assert(existing_definitions[0] == ';'); while (start[0]) { // parse existing definitions and add them to selection list char *end = strchr(start, ';'); if (!end) end = strchr(start, 0); int len = end-start; if (len<1) break; mg_assert(end[0] == ';'); end[0] = 0; aww->insert_selection(sel_id, start, start); start = end+1; } free(existing_definitions); } aww->insert_default_selection(sel_id, "", ""); aww->update_selection_list(sel_id); } static void init_gene_species_xfer_fields_subconfig(AWT_config_definition& cdef, char *existing_definitions) { AW_root *aw_root = cdef.get_root(); char *start = existing_definitions+1; mg_assert(existing_definitions[0] == ';'); for (int count = 0; start[0]; ++count) { // parse existing definitions and add them to config char *end = strchr(start, ';'); if (!end) end = strchr(start, 0); int len = end-start; if (len<1) break; mg_assert(end[0] == ';'); end[0] = 0; // add config : #define add_config(s, id) cdef.add(field_awar(s, id), id, count) create_awars_for_field(aw_root, start); add_config(start, "source"); add_config(start, "method"); add_config(start, "aci"); #undef add_config end[0] = ';'; start = end+1; } } static void init_gene_species_xfer_fields_config(AWT_config_definition& cdef) { cdef.add(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS, "fields"); cdef.add(AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE, "defs"); } static char *store_gene_species_xfer_fields(AW_window *aww, AW_CL , AW_CL ) { AW_root *aw_root = aww->get_root(); { char *existing_definitions = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->read_string(); AWT_config_definition cdef(aw_root); init_gene_species_xfer_fields_subconfig(cdef, existing_definitions); char *sub_config = cdef.read(); // save single configs to sub_config aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE)->write_string(sub_config); free(sub_config); free(existing_definitions); } // save AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE and AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS AWT_config_definition sub_cdef(aw_root); init_gene_species_xfer_fields_config(sub_cdef); return sub_cdef.read(); } static void load_gene_species_xfer_fields(AW_window *aww, const char *stored_string, AW_CL cl_sel_id, AW_CL ) { AW_root *aw_root = aww->get_root(); aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->write_string(""); // de-select // Load 'AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS' and 'AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE' { AWT_config_definition sub_cdef(aw_root); init_gene_species_xfer_fields_config(sub_cdef); sub_cdef.write(stored_string); } { char *existing_definitions = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->read_string(); char *sub_config = aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_SAVE)->read_string(); AWT_config_definition cdef(aw_root); init_gene_species_xfer_fields_subconfig(cdef, existing_definitions); cdef.write(sub_config); free(sub_config); free(existing_definitions); } // refresh mask : AW_selection_list *sel_id = (AW_selection_list*)cl_sel_id; MG_update_selection_list_on_field_transfers(aw_root, (AW_CL)aww, (AW_CL)sel_id); } // --------------------------------------------------------------------------------------- // AW_window *MG_gene_species_create_field_transfer_def_window(AW_root *aw_root) // --------------------------------------------------------------------------------------- AW_window *MG_gene_species_create_field_transfer_def_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return aws; aws = new AW_window_simple; aws->init(aw_root, "DEFINE_GENE_SPECIES_FIELDS", "DEFINE FIELDS EXPORTED WITH GENE SPECIES"); aws->load_xfig("merge/mg_def_gene_species_fields.fig"); aws->at("close"); aws->callback(AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"gene_species_field_transfer.hlp"); aws->create_button("HELP","HELP"); aws->at("active"); aws->create_toggle(AWAR_MERGE_GENE_SPECIES_CREATE_FIELDS); aws->at("src"); aws->create_input_field(AWAR_MERGE_GENE_SPECIES_SOURCE); aws->at("delete"); aws->callback(MG_delete_selected_field_def); aws->create_button("DELETE", "DELETE"); aws->at("sel_method"); aws->create_toggle_field(AWAR_MERGE_GENE_SPECIES_METHOD, 0, ""); aws->insert_toggle("Copy from organism", "O", MG_CREATE_COPY_ORGANISM); aws->insert_toggle("Copy from gene", "G", MG_CREATE_COPY_GENE); aws->insert_toggle("Only use ACI below", "A", MG_CREATE_USING_ACI_ONLY); aws->update_toggle_field(); aws->at("aci"); aws->create_input_field(AWAR_MERGE_GENE_SPECIES_ACI); aws->at("dest"); aws->create_input_field(AWAR_MERGE_GENE_SPECIES_DEST); aws->at("example"); aws->create_text_field(AWAR_MERGE_GENE_SPECIES_EXAMPLE, 40, 3); aws->at("fields"); AW_selection_list *sel_id = aws->create_selection_list(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD, 0, "", 10, 30); MG_update_selection_list_on_field_transfers(aw_root, (AW_CL)aws, (AW_CL)sel_id); aws->at("save"); AWT_insert_config_manager(aws, AW_ROOT_DEFAULT, "gene_species_field_xfer", store_gene_species_xfer_fields, load_gene_species_xfer_fields, (AW_CL)sel_id, 0); // add callbacks for this window : aw_root->awar(AWAR_MERGE_GENE_SPECIES_FIELDS_DEFS)->add_callback(MG_update_selection_list_on_field_transfers, (AW_CL)aws, (AW_CL)sel_id); aw_root->awar(AWAR_MERGE_GENE_SPECIES_CURRENT_FIELD)->add_callback(MG_current_field_def_changed_cb); aw_root->awar(AWAR_MERGE_GENE_SPECIES_SOURCE)->add_callback(MG_source_field_changed_cb); aw_root->awar(AWAR_MERGE_GENE_SPECIES_DEST)->add_callback(MG_dest_field_changed_cb); aw_root->awar(AWAR_MERGE_GENE_SPECIES_METHOD)->add_callback(MG_method_changed_cb); aw_root->awar(AWAR_MERGE_GENE_SPECIES_ACI)->add_callback(MG_aci_changed_cb); aw_root->awar(MG_left_AWAR_SPECIES_NAME())->add_callback(MG_update_example); return aws; } ./arbsrc_9167/MERGE/MG_main.cxx0000644012664100000130000003462011440743000016027 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" GBDATA *GLOBAL_gb_merge = NULL; GBDATA *GLOBAL_gb_dest = NULL; void MG_exit(AW_window *aww, AW_CL cl_reload_db2, AW_CL) { int reload_db2 = (int)cl_reload_db2; if (GLOBAL_gb_main) { // running inside normal ARB (aka import) mg_assert(reload_db2 == 0); aww->hide(); } else { if (reload_db2) { char *db2_name = aww->get_root()->awar(AWAR_MAIN_DB"/file_name")->read_string(); const char *cmd = GBS_global_string("arb_ntree '%s' &", db2_name); int result = system(cmd); if (result != 0) fprintf(stderr, "Error running '%s'\n", cmd); free(db2_name); } exit (0); } } bool mg_save_enabled = true; void MG_save_merge_cb(AW_window *aww) { char *name = aww->get_root()->awar(AWAR_MERGE_DB"/file_name")->read_string(); GB_begin_transaction(GLOBAL_gb_merge); GBT_check_data(GLOBAL_gb_merge,0); GB_commit_transaction(GLOBAL_gb_merge); GB_ERROR error = GB_save(GLOBAL_gb_merge, name, "b"); if (error) aw_message(error); else awt_refresh_selection_box(aww->get_root(), AWAR_MERGE_DB); delete name; } AW_window *MG_save_source_cb(AW_root *aw_root, char *base_name) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "MERGE_SAVE_DB_I", "SAVE ARB DB I"); aws->load_xfig("sel_box.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("save");aws->callback(MG_save_merge_cb); aws->create_button("SAVE","SAVE","S"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("cancel"); aws->create_button("CLOSE","CANCEL","C"); awt_create_selection_box((AW_window *)aws,base_name); return (AW_window *)aws; } void MG_save_cb(AW_window *aww) { char *name = aww->get_root()->awar(AWAR_MAIN_DB"/file_name")->read_string(); char *type = aww->get_root()->awar(AWAR_MAIN_DB"/type")->read_string(); aw_openstatus("Saving database"); GB_begin_transaction(GLOBAL_gb_dest); GBT_check_data(GLOBAL_gb_dest,0); GB_commit_transaction(GLOBAL_gb_dest); GB_ERROR error = GB_save(GLOBAL_gb_dest, name, type); aw_closestatus(); if (error) aw_message(error); else awt_refresh_selection_box(aww->get_root(), AWAR_MAIN_DB); delete name; delete type; } AW_window *MG_save_result_cb(AW_root *aw_root, char *base_name) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aw_root->awar_string( AWAR_DB_COMMENT, "", GLOBAL_gb_dest); aws = new AW_window_simple; aws->init( aw_root, "MERGE_SAVE_WHOLE_DB", "SAVE WHOLE DATABASE"); aws->load_xfig("sel_box.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); awt_create_selection_box((AW_window *)aws,base_name); aws->at("user"); aws->label("Type"); aws->create_option_menu(AWAR_MAIN_DB"/type"); aws->insert_option("Binary","B","b"); aws->insert_option("Bin (with FastLoad File)","f","bm"); aws->update_option_menu(); aws->at("user2"); aws->create_button(0,"Database Description"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("cancel4"); aws->create_button("CLOSE","CANCEL","C"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("cancel4"); aws->create_button("CLOSE", "CANCEL","C"); aws->at("save4");aws->callback(MG_save_cb); aws->create_button("SAVE","SAVE","S"); aws->at("user3"); aws->create_text_field(AWAR_DB_COMMENT); return (AW_window *)aws; } void MG_save_quick_result_cb(AW_window *aww) { char *name = aww->get_root()->awar(AWAR_MAIN_DB"/file_name")->read_string(); aw_openstatus("Saving database"); GB_begin_transaction(GLOBAL_gb_dest); GBT_check_data(GLOBAL_gb_dest, 0); GB_commit_transaction(GLOBAL_gb_dest); GB_ERROR error = GB_save_quick_as(GLOBAL_gb_dest, name); aw_closestatus(); if (error) aw_message(error); else awt_refresh_selection_box(aww->get_root(), AWAR_MAIN_DB); delete name; return; } static void MG_create_db_dependent_awars(AW_root *aw_root, GBDATA *gb_merge, GBDATA *gb_dest) { MG_create_db_dependent_rename_awars(aw_root, gb_merge, gb_dest); } static void MG_popup_if_renamed(AW_window *aww, AW_CL cl_create_window) { GB_ERROR error = MG_expect_renamed(); if (!error) { static GB_HASHI *popup_hash = GBS_create_hashi(10); AW_window *aw_popup = (AW_window*)GBS_read_hashi(popup_hash, cl_create_window); if (!aw_popup) { // window has not been created yet typedef AW_window *(*window_creator)(AW_root *); window_creator create_window = (window_creator)cl_create_window; aw_popup = create_window(aww->get_root()); GBS_write_hashi(popup_hash, cl_create_window, (long)aw_popup); } aw_popup->activate(); } if (error) aw_message(error); } // uses gb_dest and gb_merge void MG_start_cb2(AW_window *aww,AW_root *aw_root, bool save_enabled, bool dest_is_new) { GB_ERROR error = 0; mg_save_enabled = save_enabled; { GB_transaction ta_merge(GLOBAL_gb_merge); GB_transaction ta_dest(GLOBAL_gb_dest); GBT_mark_all(GLOBAL_gb_dest,0); // unmark everything in dest DB // set DB-type to non-genome (compatibility to old DBs) // when exporting to new DB (dest_is_new == true) -> use DB-type of merge-DB bool merge_is_genome = GEN_is_genome_db(GLOBAL_gb_merge, 0); int dest_genome = 0; if (dest_is_new) { if (merge_is_genome) { dest_genome = aw_question("Enter destination DB-type", "Normal,Genome"); } else { dest_genome = 0; // from non-genome -> to non-genome } } GEN_is_genome_db(GLOBAL_gb_dest, dest_genome); // does not change anything if type is already defined } if (!error) { GB_transaction ta_merge(GLOBAL_gb_merge); GB_transaction ta_dest(GLOBAL_gb_dest); GB_change_my_security(GLOBAL_gb_dest,6,"passwd"); GB_change_my_security(GLOBAL_gb_merge,6,"passwd"); if (aww) aww->hide(); MG_create_db_dependent_awars(aw_root, GLOBAL_gb_merge, GLOBAL_gb_dest); } if (!error) { GB_transaction ta_merge(GLOBAL_gb_merge); GB_transaction ta_dest(GLOBAL_gb_dest); MG_set_renamed(false, aw_root, "Not renamed yet."); AW_window_simple_menu *awm = new AW_window_simple_menu(); awm->init(aw_root,"ARB_MERGE", "ARB_MERGE"); awm->load_xfig("merge/main.fig"); #if defined(DEBUG) AWT_create_debug_menu(awm); #endif // DEBUG awm->create_menu("File", "F", "merge_file.hlp", AWM_ALL ); if (mg_save_enabled && GB_read_clients(GLOBAL_gb_merge)>=0) { awm->insert_menu_topic("save_DB1","Save Data Base I ...", "S","save_as.hlp",AWM_ALL, AW_POPUP, (AW_CL)MG_save_source_cb,(AW_CL)AWAR_MERGE_DB ); } awm->insert_menu_topic("quit","Quit", "Q","quit.hlp", AWM_ALL, MG_exit, 0, 0 ); if (mg_save_enabled) { awm->insert_menu_topic("quitnstart","Quit & Start DB II", "D","quit.hlp", AWM_ALL, MG_exit, 1, 0 ); } awm->insert_menu_topic("save_props","Save properties (to ~/.arb_prop/ntree.arb)", "p","savedef.hlp", AWM_ALL, (AW_CB)AW_save_defaults, 0, 0 ); awm->button_length(30); if (GB_read_clients(GLOBAL_gb_merge)>=0){ // merge two databases awm->at("alignment"); awm->callback((AW_CB1)AW_POPUP,(AW_CL)MG_merge_alignment_cb); awm->help_text("mg_alignment.hlp"); awm->create_button("CHECK_ALIGNMENTS", "Check alignments ..."); awm->at("names"); awm->callback((AW_CB1)AW_POPUP,(AW_CL)MG_merge_names_cb); awm->help_text("mg_names.hlp"); awm->create_button("CHECK_NAMES", "Check names ..."); } else { // export into new database MG_set_renamed(true, aw_root, "Not necessary"); // a newly created database needs no renaming } awm->at("species"); awm->callback(MG_popup_if_renamed, (AW_CL)MG_merge_species_cb); awm->help_text("mg_species.hlp"); awm->create_button("TRANSFER_SPECIES", "Transfer species ... "); awm->at("extendeds"); awm->callback((AW_CB1)AW_POPUP,(AW_CL)MG_merge_extendeds_cb); awm->help_text("mg_extendeds.hlp"); awm->create_button("TRANSFER_SAIS", "Transfer SAIs ..."); awm->at("trees"); awm->callback(MG_popup_if_renamed, (AW_CL)MG_merge_trees_cb); awm->help_text("mg_trees.hlp"); awm->create_button("TRANSFER_TREES", "Transfer trees ..."); awm->at("configs"); awm->callback(MG_popup_if_renamed, (AW_CL)MG_merge_configs_cb); awm->help_text("mg_configs.hlp"); awm->create_button("TRANSFER_CONFIGS", "Transfer configurations ..."); if (mg_save_enabled && GB_read_clients(GLOBAL_gb_dest)>=0){ // No need to save when importing data awm->at("save"); awm->callback(AW_POPUP,(AW_CL)MG_save_result_cb,(AW_CL)AWAR_MAIN_DB); awm->create_button("SAVE_WHOLE_DB2", "Save whole DB II as ..."); awm->at("save_quick"); awm->highlight(); awm->callback(MG_save_quick_result_cb); awm->create_button("SAVE_CHANGES_OF_DB2", "Quick-save changes of DB II"); } awm->button_length(15); awm->at("db1"); awm->create_button(0,AWAR_MERGE_DB"/file_name"); awm->at("db2"); awm->create_button(0,AWAR_MAIN_DB"/file_name"); awm->button_length(0); awm->shadow_width(1); awm->at("icon"); awm->callback(AW_POPUP_HELP, (AW_CL)"mg_main.hlp"); awm->create_button("HELP_MERGE", "#merge/icon.bitmap"); awm->activate(); } if (error) aw_message(error); } void MG_start_cb(AW_window *aww) { AW_root *awr = aww->get_root(); GB_ERROR error = 0; { char *merge = awr->awar(AWAR_MERGE_DB"/file_name")->read_string(); if (!strlen(merge) || (strcmp(merge,":") && GB_size_of_file(merge)<=0)) { error = GBS_global_string("Cannot find DB I '%s'", merge); } else { aw_openstatus("Loading databases"); #if defined(DEVEL_RALF) #warning where are GLOBAL_gb_merge / GLOBAL_gb_dest closed ? #warning when closing them, call AWT_browser_forget_db as well #endif // DEVEL_RALF aw_status("DATABASE I"); GLOBAL_gb_merge = GBT_open(merge, "rw", "$(ARBHOME)/lib/pts/*"); if (!GLOBAL_gb_merge) error = GB_await_error(); else { #if defined(DEBUG) AWT_announce_db_to_browser(GLOBAL_gb_merge, GBS_global_string("Database I (source; %s)", merge)); #endif // DEBUG aw_status("DATABASE II"); char *main = awr->awar(AWAR_MAIN_DB"/file_name")->read_string(); const char *open_mode = 0; if (main[0] == 0) { error = "You have to specify a name for DB II"; } else if (strcmp(main,":") != 0 && GB_size_of_file(main) <= 0 ) { aw_message(GBS_global_string("Cannot find DB II '%s' -> creating empty database", main)); open_mode = "wc"; } else { open_mode = "rwc"; } if (!error) { GLOBAL_gb_dest = GBT_open(main, open_mode, "$(ARBHOME)/lib/pts/*"); if (!GLOBAL_gb_dest) error = GB_await_error(); #if defined(DEBUG) else AWT_announce_db_to_browser(GLOBAL_gb_dest, GBS_global_string("Database II (destination; %s)", main)); #endif // DEBUG } free(main); } aw_closestatus(); } free(merge); } if (error) aw_message(error); else MG_start_cb2(aww, awr, true, false); } AW_window *create_merge_init_window(AW_root *awr) { AW_window_simple *aws = new AW_window_simple; aws->init( awr, "MERGE_SELECT_DATABASES", "MERGE SELECT TWO DATABASES"); aws->load_xfig("merge/startup.fig"); aws->button_length( 10 ); aws->label_length( 10 ); aws->callback( (AW_CB0)exit); aws->at("close"); aws->create_button("QUIT","QUIT","A"); aws->callback(AW_POPUP_HELP,(AW_CL)"arb_merge.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); awt_create_selection_box(aws,AWAR_MERGE_DB,""); aws->at("type"); aws->create_option_menu(AWAR_MERGE_DB"/filter"); aws->insert_option("ARB","A","arb"); aws->insert_default_option("OTHER","O",""); aws->update_option_menu(); awt_create_selection_box(aws,AWAR_MAIN_DB,"m"); aws->at("mtype"); aws->create_option_menu(AWAR_MAIN_DB"/filter"); aws->insert_option("ARB","A","arb"); aws->insert_default_option("OTHER","O",""); aws->update_option_menu(); aws->callback(MG_start_cb); aws->button_length(0); aws->shadow_width(1); aws->at("icon"); aws->create_button("GO","#merge/icon_vertical.bitmap","G"); return (AW_window *)aws; } void MG_create_all_awars(AW_root *awr, AW_default aw_def,const char *fname_one, const char *fname_two) { aw_create_selection_box_awars(awr, AWAR_MAIN_DB, "", ".arb", fname_two, aw_def); awr->awar_string( AWAR_MAIN_DB"/type", "b",aw_def); aw_create_selection_box_awars(awr, AWAR_MERGE_DB, "", ".arb", fname_one, aw_def); MG_create_trees_awar(awr,aw_def); MG_create_config_awar(awr,aw_def); MG_create_extendeds_awars(awr,aw_def); MG_create_alignment_awars(awr,aw_def); MG_create_species_awars(awr,aw_def); MG_create_gene_species_awars(awr, aw_def); MG_create_rename_awars(awr, aw_def); AWTC_create_rename_awars(awr, aw_def); #if defined(DEBUG) AWT_create_db_browser_awars(awr, aw_def); #endif // DEBUG } AW_window *create_MG_main_window(AW_root *aw_root) { MG_create_all_awars(aw_root,AW_ROOT_DEFAULT); AW_window *aww=create_merge_init_window(aw_root); aww->activate(); return aww; } ./arbsrc_9167/MERGE/mg_merge.hxx0000644012664100000130000000236111440743000016304 0ustar arb_buildcoders// =============================================================== // // // // File : mg_merge.hxx // // Purpose : Merge tool external interface // // // // Coded by Ralf Westram (coder@reallysoft.de) in March 2008 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef MG_MERGE_HXX #define MG_MERGE_HXX extern GBDATA *GLOBAL_gb_merge; extern GBDATA *GLOBAL_gb_dest; extern GBDATA *GLOBAL_gb_main; AW_window *create_MG_main_window(AW_root *aw_root); void MG_create_all_awars(AW_root *awr, AW_default aw_def, const char *fname_one = "db1.arb", const char *fname_two = "db2.arb"); void MG_start_cb2(AW_window *aww, AW_root *aw_root, bool save_enabled, bool dest_is_new); // uses loaded databases GB_ERROR MG_simple_merge(AW_root *awr); // simple merge of species #else #error mg_merge.hxx included twice #endif ./arbsrc_9167/MERGE/MG_names.cxx0000644012664100000130000001636011440743000016207 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include "merge.hxx" // -------------------------------------------------------------------------------- #define AWAR_MERGE_ADDID "tmp/merge1/addid" #define AWAR_DEST_ADDID "tmp/merge2/addid" #define AWAR_ADDID_MATCH "tmp/merge/addidmatch" #define AWAR_RENAME_STATUS "tmp/merge/renamestat" #define AWAR_ALLOW_DUPS "tmp/merge/allowdups" #define AWAR_OVERRIDE "tmp/merge/override" // -------------------------------------------------------------------------------- void MG_create_rename_awars(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string(AWAR_ADDID_MATCH, "", aw_def); aw_root->awar_string(AWAR_RENAME_STATUS, "", aw_def); aw_root->awar_int(AWAR_ALLOW_DUPS, 0, aw_def); aw_root->awar_int(AWAR_OVERRIDE, 0, aw_def); } // -------------------------------------------------------------------------------- static const char *addids_match_info(AW_root *aw_root) { char *addid1 = aw_root->awar(AWAR_MERGE_ADDID)->read_string(); char *addid2 = aw_root->awar(AWAR_DEST_ADDID)->read_string(); const char *result = (strcmp(addid1, addid2) == 0) ? "Ok" : "MISMATCH!"; free(addid2); free(addid1); return result; } static void addids_match_info_refresh_cb(AW_root *aw_root) { aw_root->awar(AWAR_ADDID_MATCH)->write_string(addids_match_info(aw_root)); MG_set_renamed(false, aw_root, "Needed (add.field changed)"); } void MG_create_db_dependent_rename_awars(AW_root *aw_root, GBDATA *gb_merge, GBDATA *gb_dest) { static bool created = false; if (!created) { GB_transaction t1(gb_merge); GB_transaction t2(gb_dest); GB_ERROR error = 0; // Awars for additional ID need to be mapped, cause they use same db-path in both DBs GBDATA *gb_addid1 = GB_search(gb_merge, AWAR_NAMESERVER_ADDID, GB_STRING); GBDATA *gb_addid2 = GB_search(gb_dest, AWAR_NAMESERVER_ADDID, GB_STRING); const char *addid1 = gb_addid1 ? GB_read_char_pntr(gb_addid1) : ""; const char *addid2 = gb_addid2 ? GB_read_char_pntr(gb_addid2) : ""; // use other as default (needed e.g. for import) if (gb_addid1 && !gb_addid2) { gb_addid2 = GB_create(gb_dest, AWAR_NAMESERVER_ADDID, GB_STRING); if (!gb_addid2) error = GB_await_error(); else error = GB_write_string(gb_addid2, addid1); } else if (!gb_addid1 && gb_addid2) { gb_addid1 = GB_create(gb_merge, AWAR_NAMESERVER_ADDID, GB_STRING); if (!gb_addid1) error = GB_await_error(); else error = GB_write_string(gb_addid1, addid2); } if (!error) { AW_awar *awar_addid1 = aw_root->awar_string(AWAR_MERGE_ADDID, "xxx", gb_merge); AW_awar *awar_addid2 = aw_root->awar_string(AWAR_DEST_ADDID, "xxx", gb_dest); awar_addid1->unmap(); awar_addid1->map(gb_addid1); awar_addid2->unmap(); awar_addid2->map(gb_addid2); awar_addid1->add_callback(addids_match_info_refresh_cb); awar_addid2->add_callback(addids_match_info_refresh_cb); addids_match_info_refresh_cb(aw_root); } if (error) { error = t1.close(error); error = t2.close(error); aw_message(error); } else { created = true; } } } // -------------------------------------------------------------------------------- static bool was_renamed = false; void MG_set_renamed(bool renamed, AW_root *aw_root, const char *reason) { aw_root->awar(AWAR_RENAME_STATUS)->write_string(reason); was_renamed = renamed; } GB_ERROR MG_expect_renamed() { GB_ERROR error = 0; if (!was_renamed) error = "First you have to rename species in both databases"; return error; } // -------------------------------------------------------------------------------- static GB_ERROR renameDB(const char *which, GBDATA *gb_db, bool allowDups) { aw_openstatus(GBS_global_string("Generating new names in %s database", which)); aw_status("Contacting name server"); bool isDuplicatesWarning; GB_ERROR error = AWTC_pars_names(gb_db, 1, &isDuplicatesWarning); if (error) { error = GBS_global_string("While renaming %s DB:\n%s", which, error); if (isDuplicatesWarning && allowDups) { aw_message(error); aw_message("Duplicates error ignored. Be careful during merge!"); error = 0; } } aw_closestatus(); return error; } static void rename_both_databases(AW_window *aww) { GB_ERROR error = 0; AW_root *aw_root = aww->get_root(); char *match = aw_root->awar(AWAR_ADDID_MATCH)->read_string(); bool allowDups = aw_root->awar(AWAR_ALLOW_DUPS)->read_int(); if (strcmp(match, "Ok") == 0) { error = renameDB("source", GLOBAL_gb_merge, allowDups); if (!error) error = renameDB("destination", GLOBAL_gb_dest, allowDups); } else { error = "Denying rename - additional fields have to match!"; } free(match); if (error) { aw_message(error); MG_set_renamed(false, aw_root, "Failed"); } else { MG_set_renamed(true, aw_root, "Ok"); } } static void override_toggle_cb(AW_window *aww) { AW_root *aw_root = aww->get_root(); if (aw_root->awar(AWAR_OVERRIDE)->read_int() == 1) { MG_set_renamed(true, aw_root, "Overridden"); } else { MG_set_renamed(false, aw_root, "Not renamed"); } } AW_window *MG_merge_names_cb(AW_root *awr){ static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init( awr, "MERGE_AUTORENAME_SPECIES", "SYNCHRONIZE NAMES"); aws->load_xfig("merge/names.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_names.hlp"); aws->create_button("HELP","HELP","H"); aws->at("addid1"); aws->create_input_field(AWAR_MERGE_ADDID, 10); aws->at("addid2"); aws->create_input_field(AWAR_DEST_ADDID, 10); aws->at("dups"); aws->label("Allow merging duplicates (dangerous! see HELP)"); aws->create_toggle(AWAR_ALLOW_DUPS); aws->at("override"); aws->label("Override (even more dangerous! see HELP)"); aws->callback(override_toggle_cb); aws->create_toggle(AWAR_OVERRIDE); aws->at("match"); aws->button_length(12); aws->create_button("MATCH", AWAR_ADDID_MATCH, 0, "+"); aws->at("status"); aws->button_length(25); aws->label("Status:"); aws->create_button("STATUS", AWAR_RENAME_STATUS, 0, "+"); aws->at("rename"); aws->callback(rename_both_databases); aws->create_autosize_button("RENAME_DATABASES","Rename species"); aws->button_length(0); aws->shadow_width(1); aws->at("icon"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_names.hlp"); aws->create_button("HELP_MERGE", "#merge/icon.bitmap"); } return aws; } ./arbsrc_9167/MERGE/MG_preserves.cxx0000644012664100000130000003377511440743000017133 0ustar arb_buildcoders// ==================================================================== // // // // File : MG_preserves.cxx // // Purpose : find candidates for alignment preservation // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" #include #include #include #include using namespace std; // find species/SAIs to preserve alignment #define AWAR_REMAP_CANDIDATE "tmp/merge/remap_candidates" #define AWAR_REMAP_ALIGNMENT "tmp/merge/remap_alignment" struct preserve_para { AW_window *window; AW_selection_list *ali_id; AW_selection_list *cand_id; }; // get all alignment names available in both databases static char **get_global_alignments() { char **src_ali_names = GBT_get_alignment_names(GLOBAL_gb_merge); GBDATA *gb_presets = GB_search(GLOBAL_gb_dest, "presets", GB_CREATE_CONTAINER); int i; for (i = 0; src_ali_names[i]; ++i) { GBDATA *gb_ali_name = GB_find_string(gb_presets, "alignment_name", src_ali_names[i], GB_IGNORE_CASE, down_2_level); if (!gb_ali_name) freeset(src_ali_names[i], 0); } int k = 0; for (int j = 0; jwindow; AW_selection_list *id = para->ali_id; aww->clear_selection_list(id); aww->insert_default_selection(id, "All", "All"); // insert alignments available in both databases char **ali_names = get_global_alignments(); for (int i = 0; ali_names[i]; ++i) { aww->insert_selection(id, ali_names[i], ali_names[i]); } GBT_free_names(ali_names); aww->update_selection_list(id); aww->get_root()->awar(AWAR_REMAP_ALIGNMENT)->write_string("All"); // select "All" } // clear the candidate list static void clear_candidates(preserve_para *para) { AW_window *aww = para->window; AW_selection_list *id = para->cand_id; aww->clear_selection_list(id); aww->insert_default_selection(id, "????", "????"); aww->update_selection_list(id); aww->get_root()->awar(AWAR_REMAP_CANDIDATE)->write_string(""); // deselect } static long count_bases(const char *data, long len) { long count = 0; for (long i = 0; i5) factor = 0.2; else factor = (6-base_count_diff)*(1.0/6); long min_bases = src_bases0; } return score > other.score; } }; // use SmartPtr to memory-manage Candidate's static bool operator < (const SmartPtr& c1, const SmartPtr& c2) { return c1->operator<(*c2); } typedef set< SmartPtr > Candidates; // add all candidate species to 'candidates' static void find_species_candidates(Candidates& candidates, const char **ali_names) { aw_status("Examining species (kill to stop)"); aw_status(0.0); // collect names of all species in source database GB_HASH *src_species = GBT_create_species_hash(GLOBAL_gb_merge/*, 1*/); // Note: changed to ignore case (ralf 2007-07-06) long src_count = GBS_hash_count_elems(src_species); long found = 0; bool aborted = false; // find existing species in destination database for (GBDATA *gb_dst_species = GBT_first_species(GLOBAL_gb_dest); gb_dst_species && !aborted; gb_dst_species = GBT_next_species(gb_dst_species)) { const char *dst_name = GBT_read_name(gb_dst_species); if (GBDATA *gb_src_species = (GBDATA*)GBS_read_hash(src_species, dst_name)) { Candidate *cand = new Candidate(true, dst_name, gb_src_species, gb_dst_species, ali_names); if (cand->has_alignments() && cand->get_score()>0.0) { candidates.insert(cand); } else { if (GB_have_error()) { aw_message(GBS_global_string("Invalid adaption candidate '%s' (%s)", dst_name, GB_await_error())); } delete cand; } ++found; aw_status(double(found)/src_count); aborted = aw_status() != 0; // test user abort } } GBS_free_hash(src_species); } // add all candidate SAIs to 'candidates' static void find_SAI_candidates(Candidates& candidates, const char **ali_names) { aw_status("Examining SAIs"); aw_status(0.0); // collect names of all SAIs in source database GB_HASH *src_SAIs = GBT_create_SAI_hash(GLOBAL_gb_merge); long src_count = GBS_hash_count_elems(src_SAIs); long found = 0; // find existing SAIs in destination database for (GBDATA *gb_dst_SAI = GBT_first_SAI(GLOBAL_gb_dest); gb_dst_SAI; gb_dst_SAI = GBT_next_SAI(gb_dst_SAI)) { const char *dst_name = GBT_read_name(gb_dst_SAI); if (GBDATA *gb_src_SAI = (GBDATA*)GBS_read_hash(src_SAIs, dst_name)) { Candidate *cand = new Candidate(false, dst_name, gb_src_SAI, gb_dst_SAI, ali_names); if (cand->has_alignments() && cand->get_score()>0.0) { candidates.insert(cand); } else { if (GB_have_error()) { aw_message(GBS_global_string("Invalid adaption candidate 'SAI:%s' (%s)", dst_name, GB_await_error())); } delete cand; } ++found; aw_status(double(found)/src_count); } } GBS_free_hash(src_SAIs); } // FIND button // (rebuild candidates list) static void calculate_preserves_cb(AW_window *, AW_CL cl_para) { GB_transaction ta1(GLOBAL_gb_merge); GB_transaction ta2(GLOBAL_gb_dest); preserve_para *para = (preserve_para*)cl_para; clear_candidates(para); AW_window *aww = para->window; AW_root *aw_root = aww->get_root(); char *ali = aw_root->awar(AWAR_REMAP_ALIGNMENT)->read_string(); Candidates candidates; aw_openstatus("Searching candidates"); // add candidates if (0 == strcmp(ali, "All")) { char **ali_names = get_global_alignments(); find_SAI_candidates(candidates, const_cast(ali_names)); find_species_candidates(candidates, const_cast(ali_names)); GBT_free_names(ali_names); } else { char *ali_names[2] = { ali, 0 }; find_SAI_candidates(candidates, const_cast(ali_names)); find_species_candidates(candidates, const_cast(ali_names)); } int count = 0; Candidates::iterator e = candidates.end(); AW_selection_list *id = para->cand_id; for (Candidates::iterator i = candidates.begin(); i != e && count<5000; ++i, ++count) { string name = (*i)->get_name(); string shown = (*i)->get_entry(); aww->insert_selection(id, shown.c_str(), name.c_str()); } free(ali); aw_closestatus(); aww->update_selection_list(id); } // ADD button // (add current selected candidate to references) static void add_selected_cb(AW_window *, AW_CL cl_para) { preserve_para *para = (preserve_para*)cl_para; AW_window *aww = para->window; AW_root *awr = aww->get_root(); char *current = awr->awar(AWAR_REMAP_CANDIDATE)->read_string(); char *references = awr->awar(AWAR_REMAP_SPECIES_LIST)->read_string(); if (references && references[0]) { string ref = string(references); size_t pos = ref.find(current); int len = strlen(current); for (; pos != string::npos; pos = ref.find(current, pos+1)) { if (pos == 0 || ref[pos-1] == '\n') { if ((pos+len) == ref.length()) break; // at eos -> skip char behind = ref[pos+len]; if (behind == '\n') break; // already there -> skip } } if (pos == string::npos) { string appended = ref+'\n'+current; awr->awar(AWAR_REMAP_SPECIES_LIST)->write_string(appended.c_str()); } } else { awr->awar(AWAR_REMAP_SPECIES_LIST)->write_string(current); } free(references); free(current); awr->awar(AWAR_REMAP_ENABLE)->write_int(1); } // CLEAR button // (clear references) static void clear_references_cb(AW_window *aww) { AW_root *awr = aww->get_root(); awr->awar(AWAR_REMAP_SPECIES_LIST)->write_string(""); awr->awar(AWAR_REMAP_ENABLE)->write_int(0); } // SELECT PRESERVES window AW_window *MG_select_preserves_cb(AW_root *aw_root) { aw_root->awar_string(AWAR_REMAP_ALIGNMENT, "", GLOBAL_gb_dest); aw_root->awar_string(AWAR_REMAP_CANDIDATE, "", GLOBAL_gb_dest); AW_window_simple *aws = new AW_window_simple; aws->init(aw_root, "SELECT_PRESERVES", "Select adaption candidates"); aws->load_xfig("merge/preserves.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_preserve.hlp"); aws->create_button("HELP","HELP","H"); aws->at("adapt"); aws->label("Adapt alignments"); aws->create_toggle(AWAR_REMAP_ENABLE); aws->at("reference"); aws->create_text_field(AWAR_REMAP_SPECIES_LIST); preserve_para *para = new preserve_para; // do not free (is passed to callback) para->window = aws; aws->at("candidate"); para->cand_id = aws->create_selection_list(AWAR_REMAP_CANDIDATE, 0, "", 10, 30); aws->at("ali"); para->ali_id = aws->create_selection_list(AWAR_REMAP_ALIGNMENT, 0, "", 10, 30); aws->at("find"); aws->callback(calculate_preserves_cb, (AW_CL)para); aws->create_autosize_button("FIND", "Find candidates", "F", 1); { GB_transaction ta1(GLOBAL_gb_merge); GB_transaction ta2(GLOBAL_gb_dest); init_alignments(para); clear_candidates(para); } aws->button_length(8); aws->at("add"); aws->callback(add_selected_cb, (AW_CL)para); aws->create_button("ADD", "Add", "A"); aws->at("clear"); aws->callback(clear_references_cb); aws->create_button("CLEAR", "Clear", "C"); return aws; } ./arbsrc_9167/MERGE/MG_species.cxx0000644012664100000130000014416611440743000016545 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "merge.hxx" #include #include #define AWAR1 "tmp/merge1/" #define AWAR2 "tmp/merge2/" #define AWAR_SPECIES1 AWAR1"name" #define AWAR_SPECIES2 AWAR2"name" #define AWAR_SPECIES1_DEST AWAR1"dest" #define AWAR_SPECIES2_DEST AWAR2"dest" #define AWAR_FIELD1 AWAR1"field" #define AWAR_FIELD2 AWAR2"field" #define AWAR_TAG1 AWAR1"tag" #define AWAR_TAG2 AWAR2"tag" #define AWAR_TAG_DEL1 AWAR1"tagdel" #define AWAR_APPEND AWAR2"append" static AW_CL ad_global_scannerid1 = 0; static AW_CL ad_global_scannerid2 = 0; const char *MG_left_AWAR_SPECIES_NAME() { return AWAR_SPECIES1; } const char *MG_right_AWAR_SPECIES_NAME() { return AWAR_SPECIES2; } MG_remap::MG_remap(){ in_length = 0; out_length = 0; remap_tab = 0; soft_remap_tab = 0; compiled = 0; } MG_remap::~MG_remap(){ delete [] remap_tab; delete [] soft_remap_tab; } GB_ERROR MG_remap::set(const char *in_reference, const char *out_reference){ if (compiled){ GB_internal_error("Cannot set remap structure after being compiled"); return 0; } if (!remap_tab){ in_length = strlen(in_reference); out_length = strlen(out_reference); remap_tab = new int[in_length]; int i; for (i=0;i in_length){ int *new_remap = new int[inl]; int i; for (i=0;i out_length){ out_length = nol; } } int *nremap_tab = new int[in_length]; { for (int i = 0;i< in_length;i++){ nremap_tab[i] = -1; } } { // write new map to undefined positions const char *spacers = "-. n"; int ipos = 0; int opos = 0; while (ipos < in_length && opos < out_length){ while (strchr(spacers,in_reference[ipos])){ ipos++; // search next in base if (ipos >= in_length ) goto end_of_new_map; } while (strchr(spacers,out_reference[opos])){ opos++; // search next in base if (opos >= out_length) goto end_of_new_map; } nremap_tab[ipos] = opos; ipos++; opos++; // jump to next base } end_of_new_map:; } { // check forward consistency of new map int ipos = 0; int opos = 0; for (ipos=0;ipos < in_length;ipos++){ if (remap_tab[ipos] > opos){ opos = remap_tab[ipos]; } if (nremap_tab[ipos] >=0 && nremap_tab[ipos] < opos){ // consistency error nremap_tab[ipos] = -1; // sorry, not useable } } } { // check backward consistency of new map int ipos; int opos = out_length-1; for (ipos = in_length-1;ipos>=0;ipos--){ if (remap_tab[ipos] >=0 && remap_tab[ipos] < opos){ opos = remap_tab[ipos]; } if (nremap_tab[ipos] > opos){ nremap_tab[ipos] = -1; } } } { // merge maps for (int pos=0;pos=0){ remap_tab[pos] = nremap_tab[pos]; } } } } delete nremap_tab; return NULL; } GB_ERROR MG_remap::compile(){ if (compiled){ return 0; } compiled = 1; int in_pos; soft_remap_tab = new int[in_length]; int last_mapped_position_source = 0; int last_mapped_position_dest = 0; for (in_pos=0;in_pos1) && dest <= last_mapped_position_dest + (ddest>1); source++,dest++){ soft_remap_tab[source] = dest; } for (source = in_pos, dest = new_dest; source > last_mapped_position_source + (dsource>1) && dest > last_mapped_position_dest + (ddest>1); source--,dest--){ soft_remap_tab[source] = dest; } } last_mapped_position_source = in_pos; last_mapped_position_dest = new_dest; } return 0; } char *MG_remap::remap(const char *sequence){ const char *gap_chars = "- ."; int slen = strlen(sequence); int len = slen; GBS_strstruct *outs = GBS_stropen(slen- in_length + out_length + 100); if (in_length < len) { len = in_length; } int lastposset = 0; // last position written int lastposread = 0; // last position that is read and written int skippedgaps = 0; // number of gaps not written int skippedchar = '.'; // last gap character not written GB_BOOL within_sequence = GB_FALSE; int i; for (i=0;iremap_tab[i]; if (new_pos<0){ // no remap, try soft remap new_pos = soft_remap_tab[i]; } if (new_pos >=0){ // if found a map than force map while (lastposset < new_pos){ // insert gaps if (within_sequence){ GBS_chrcat(outs,'-'); }else{ GBS_chrcat(outs,'.'); } lastposset ++; } }else{ // insert not written gaps while(skippedgaps>0){ GBS_chrcat(outs,skippedchar); lastposset ++; skippedgaps--; } } skippedgaps = 0; if (c != '.') { within_sequence = GB_TRUE; }else{ within_sequence = GB_FALSE; } GBS_chrcat(outs,c); lastposset++; } for (i = lastposread+1;i < slen;i++){ // fill overlength rest of sequence int c = sequence[i]; if (strchr(gap_chars,c)) continue; // dont fill with gaps GBS_chrcat(outs,c); } return GBS_strclose(outs); } void MG_create_species_awars(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string( AWAR_SPECIES1, "" , aw_def); aw_root->awar_string( AWAR_SPECIES2, "" , aw_def); aw_root->awar_string( AWAR_SPECIES1_DEST, "" , aw_def); aw_root->awar_string( AWAR_SPECIES2_DEST, "" , aw_def); aw_root->awar_string( AWAR_FIELD1, "" , aw_def); aw_root->awar_int( AWAR_APPEND ); } void AD_map_species1(AW_root *aw_root) { GB_push_transaction(GLOBAL_gb_merge); char *source = aw_root->awar(AWAR_SPECIES1)->read_string(); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_merge,source); if (gb_species) awt_map_arbdb_scanner(ad_global_scannerid1,gb_species,0, CHANGE_KEY_PATH); GB_pop_transaction(GLOBAL_gb_merge); delete source; } void AD_map_species2(AW_root *aw_root) { char *source = aw_root->awar(AWAR_SPECIES2)->read_string(); GB_push_transaction(GLOBAL_gb_dest); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_dest,source); if (gb_species) { awt_map_arbdb_scanner(ad_global_scannerid2,gb_species,0, CHANGE_KEY_PATH); } GB_pop_transaction(GLOBAL_gb_dest); delete source; } static GB_ERROR MG_transfer_fields_info(char *fieldname = NULL) { GBDATA *gb_key_data = GB_search(GLOBAL_gb_merge, CHANGE_KEY_PATH, GB_CREATE_CONTAINER); GB_ERROR error = 0; if (!gb_key_data) error = GB_await_error(); else { if (!GB_search(GLOBAL_gb_dest, CHANGE_KEY_PATH, GB_CREATE_CONTAINER)) error = GB_await_error(); else { for (GBDATA *gb_key = GB_entry(gb_key_data,CHANGEKEY); gb_key && !error; gb_key = GB_nextEntry(gb_key)) { GBDATA *gb_key_name = GB_entry(gb_key, CHANGEKEY_NAME); if (gb_key_name) { GBDATA *gb_key_type = GB_entry(gb_key, CHANGEKEY_TYPE); if (gb_key_type) { char *name = GB_read_string(gb_key_name); if (!fieldname || strcmp(fieldname,name) == 0) { error = GBT_add_new_changekey(GLOBAL_gb_dest,name,(int)GB_read_int(gb_key_type)); } free(name); } } } } } return error; } MG_remap *MG_create_remap(GBDATA *gb_left, GBDATA *gb_right, const char *reference_species_names, const char *alignment_name){ char *tok; MG_remap *rem = new MG_remap(); char *ref_list = strdup(reference_species_names); for (tok = strtok(ref_list," \n,;");tok;tok = strtok(NULL," \n,;")){ bool is_SAI = strncmp(tok, "SAI:", 4) == 0; GBDATA *gb_species_left = 0; GBDATA *gb_species_right = 0; if (is_SAI) { gb_species_left = GBT_find_SAI(gb_left, tok+4); gb_species_right = GBT_find_SAI(gb_right, tok+4); } else { gb_species_left = GBT_find_species(gb_left,tok); gb_species_right = GBT_find_species(gb_right,tok); } if (!gb_species_left || !gb_species_right) { aw_message(GBS_global_string("Warning: Couldn't find %s'%s' in %s DB.\nPlease read ADAPT ALIGNMENT section in help file!", is_SAI ? "" : "species ", tok, gb_species_left ? "right" : "left")); continue; } // look for sequence/SAI "data" GBDATA *gb_seq_left = GBT_read_sequence(gb_species_left,alignment_name); if (!gb_seq_left) continue; GBDATA *gb_seq_right = GBT_read_sequence(gb_species_right,alignment_name); if (!gb_seq_right) continue; GB_TYPES type_left = GB_read_type(gb_seq_left); GB_TYPES type_right = GB_read_type(gb_seq_right); if (type_left != type_right) { aw_message(GBS_global_string("Warning: data type of '%s' differs in both databases", tok)); continue; } if (type_right == GB_STRING) { rem->set(GB_read_char_pntr(gb_seq_left), GB_read_char_pntr(gb_seq_right)); } else { char *sleft = GB_read_as_string(gb_seq_left); char *sright = GB_read_as_string(gb_seq_right); rem->set(sleft,sright); free(sleft); free(sright); } } rem->compile(); delete ref_list; return rem; } MG_remaps::MG_remaps(GBDATA *gb_left,GBDATA *gb_right,AW_root *awr){ memset((char *)this,0,sizeof(*this)); int ref_enable = awr->awar(AWAR_REMAP_ENABLE)->read_int(); if (!ref_enable) return; char *reference_species_names = awr->awar(AWAR_REMAP_SPECIES_LIST)->read_string(); this->alignment_names = GBT_get_alignment_names(gb_left); for (n_remaps = 0;alignment_names[n_remaps];n_remaps++) ; this->remaps = (MG_remap **)GB_calloc(sizeof(MG_remap *),n_remaps); int i; for (i=0;iremaps[i] = MG_create_remap(gb_left,gb_right,reference_species_names,alignment_names[i]); } delete reference_species_names; } MG_remaps::~MG_remaps(){ int i; for (i=0;i sequence was not copied char *ls = GB_read_string(gb_seq_left); char *rs = GB_read_string(gb_seq_right); if (strcmp(ls, rs) == 0) { // if sequences are not identical -> sequence was not copied free(rs); rs = remap->remap(ls); if (!rs) error = GB_await_error(); else { long old_check = GBS_checksum(ls, 0, ".- "); long new_check = GBS_checksum(rs, 0, ".- "); if (old_check == new_check) error = GB_write_string(gb_seq_right, rs); else error = GB_export_error("Error in aligning sequences (checksum changed)"); } } free(rs); free(ls); } } return error; } GB_ERROR MG_transfer_sequence(MG_remaps *remaps, GBDATA *source_species, GBDATA *destination_species){ int i; GB_ERROR error = 0; if (!remaps->remaps) return NULL; // not remapped for (i=0;in_remaps;i++){ error = MG_transfer_sequence(remaps->remaps[i],source_species,destination_species,remaps->alignment_names[i]); if (error) break; } return error; } static GB_ERROR MG_transfer_one_species(AW_root *aw_root, MG_remaps& remap, GBDATA *gb_species_data1, GBDATA *gb_species_data2, bool is_genome_db1, bool is_genome_db2, GBDATA *gb_species1, const char *name1, GB_HASH *source_organism_hash, GB_HASH *dest_species_hash, GB_HASH *error_suppressor) { // copies one species from source to destination DB // // either 'gb_species1' or 'name1' (and 'gb_species_data1') has to be given // 'source_organism_hash' may be NULL, otherwise it's used to search for source organisms (when merging from genome DB) // 'dest_species_hash' may be NULL, otherwise created species is stored there GB_ERROR error = 0; if (gb_species1) { name1 = GBT_read_name(gb_species1); } else { mg_assert(name1); gb_species1 = GBT_find_species_rel_species_data(gb_species_data1, name1); if (!gb_species1) { error = GBS_global_string("Could not find species '%s'", name1); } } bool transfer_fields = false; if (is_genome_db1) { if (is_genome_db2) { // genome -> genome if (GEN_is_pseudo_gene_species(gb_species1)) { const char *origin = GEN_origin_organism(gb_species1); GBDATA *dest_organism = dest_species_hash ? (GBDATA*)GBS_read_hash(dest_species_hash, origin) : GEN_find_organism(GLOBAL_gb_dest, origin); if (dest_organism) transfer_fields = true; else { error = GBS_global_string("Destination DB does not contain '%s's origin-organism '%s'", name1, origin); } } // else: merge organism ok } else { // genome -> non-genome if (GEN_is_pseudo_gene_species(gb_species1)) transfer_fields = true; else { error = GBS_global_string("You can't merge organisms (%s) into a non-genome DB.\n" "Only pseudo-species are possible", name1); } } } else { if (is_genome_db2) { // non-genome -> genome error = GBS_global_string("You can't merge non-genome species (%s) into a genome DB", name1); } // else: non-genome -> non-genome ok } GBDATA *gb_species2 = 0; if (!error) { gb_species2 = dest_species_hash ? (GBDATA*)GBS_read_hash(dest_species_hash, name1) : GBT_find_species_rel_species_data(gb_species_data2, name1); if (gb_species2) error = GB_delete(gb_species2); } if (!error) { gb_species2 = GB_create_container(gb_species_data2, "species"); if (!gb_species2) error = GB_await_error(); } if (!error) error = GB_copy(gb_species2, gb_species1); if (!error && transfer_fields) { mg_assert(is_genome_db1); error = MG_export_fields(aw_root, gb_species1, gb_species2, error_suppressor, source_organism_hash); } if (!error) GB_write_flag(gb_species2, 1); if (!error) error = MG_transfer_sequence(&remap, gb_species1, gb_species2); if (!error && dest_species_hash) GBS_write_hash(dest_species_hash, name1, (long)gb_species2); return error; } void MG_transfer_selected_species(AW_window *aww) { if (MG_check_alignment(aww,1)) return; AW_root *aw_root = aww->get_root(); char *source = aw_root->awar(AWAR_SPECIES1)->read_string(); GB_ERROR error = NULL; if (!source || !source[0]) { error = "Please select a species in the left list"; } else { aw_openstatus("Transferring selected species"); error = GB_begin_transaction(GLOBAL_gb_merge); if (!error) error = GB_begin_transaction(GLOBAL_gb_dest); if (!error) { MG_remaps rm(GLOBAL_gb_merge,GLOBAL_gb_dest,aw_root); GBDATA *gb_species_data1 = GB_search(GLOBAL_gb_merge,"species_data",GB_CREATE_CONTAINER); GBDATA *gb_species_data2 = GB_search(GLOBAL_gb_dest,"species_data",GB_CREATE_CONTAINER); bool is_genome_db1 = GEN_is_genome_db(GLOBAL_gb_merge, -1); bool is_genome_db2 = GEN_is_genome_db(GLOBAL_gb_dest, -1); error = MG_transfer_one_species(aw_root, rm, gb_species_data1, gb_species_data2, is_genome_db1, is_genome_db2, NULL, source, NULL, NULL, NULL); } if (!error) error = MG_transfer_fields_info(); error = GB_end_transaction(GLOBAL_gb_merge, error); error = GB_end_transaction(GLOBAL_gb_dest, error); aw_closestatus(); } if (error) aw_message(error); } #undef IS_QUERIED #define IS_QUERIED(gb_species) (1 & GB_read_usr_private(gb_species)) void MG_transfer_species_list(AW_window *aww) { if (MG_check_alignment(aww,1)) return; GB_ERROR error = NULL; aw_openstatus("Transferring species"); GB_begin_transaction(GLOBAL_gb_merge); GB_begin_transaction(GLOBAL_gb_dest); bool is_genome_db1 = GEN_is_genome_db(GLOBAL_gb_merge, -1); bool is_genome_db2 = GEN_is_genome_db(GLOBAL_gb_dest, -1); GB_HASH *error_suppressor = GBS_create_hash(50, GB_IGNORE_CASE); GB_HASH *dest_species_hash = GBT_create_species_hash(GLOBAL_gb_dest); GB_HASH *source_organism_hash = is_genome_db1 ? GBT_create_organism_hash(GLOBAL_gb_merge) : 0; MG_remaps rm(GLOBAL_gb_merge,GLOBAL_gb_dest,aww->get_root()); GBDATA *gb_species1; int queried = 0; int count = 0; for (gb_species1 = GBT_first_species(GLOBAL_gb_merge); gb_species1; gb_species1 = GBT_next_species(gb_species1)) { if (IS_QUERIED(gb_species1)) queried++; } for (gb_species1 = GBT_first_species(GLOBAL_gb_merge); gb_species1; gb_species1 = GBT_next_species(gb_species1)) { if (IS_QUERIED(gb_species1)) { GBDATA *gb_species_data2 = GB_search(GLOBAL_gb_dest,"species_data",GB_CREATE_CONTAINER); error = MG_transfer_one_species(aww->get_root(), rm, NULL, gb_species_data2, is_genome_db1, is_genome_db2, gb_species1, NULL, source_organism_hash, dest_species_hash, error_suppressor); aw_status(++count/double(queried)); } } GBS_free_hash(dest_species_hash); if (source_organism_hash) GBS_free_hash(source_organism_hash); GBS_free_hash(error_suppressor); if (!error) error = MG_transfer_fields_info(); error = GB_end_transaction(GLOBAL_gb_merge, error); GB_end_transaction_show_error(GLOBAL_gb_dest, error, aw_message); aw_closestatus(); } void MG_transfer_fields_cb(AW_window *aww){ if (MG_check_alignment(aww,1)) { return; } char *field = aww->get_root()->awar(AWAR_FIELD1)->read_string(); long append = aww->get_root()->awar(AWAR_APPEND)->read_int(); GB_ERROR error = 0; if (field[0] == 0) { error = "Please select a field you want to transfer"; } else if (strcmp(field,"name") == 0) { error = "Transferring the 'name' field is forbidden"; } else { aw_openstatus("Transferring fields"); GB_begin_transaction(GLOBAL_gb_merge); GB_begin_transaction(GLOBAL_gb_dest); GBDATA *gb_dest_species_data = GB_search(GLOBAL_gb_dest,"species_data",GB_CREATE_CONTAINER); GB_BOOL transfer_of_alignment = GBS_string_matches(field,"ali_*/data",GB_MIND_CASE); MG_remaps rm(GLOBAL_gb_merge,GLOBAL_gb_dest,aww->get_root()); for (GBDATA *gb_species1 = GBT_first_species(GLOBAL_gb_merge); gb_species1 && !error; gb_species1 = GBT_next_species(gb_species1)) { if (IS_QUERIED(gb_species1)) { const char *name1 = GBT_read_name(gb_species1); GBDATA *gb_species2 = GB_find_string(gb_dest_species_data,"name", name1, GB_IGNORE_CASE, down_2_level); if (!gb_species2) { gb_species2 = GB_create_container(gb_dest_species_data,"species"); if (!gb_species2) error = GB_await_error(); else error = GBT_write_string(gb_species2, "name", name1); } else { gb_species2 = GB_get_father(gb_species2); } if (!error) { GBDATA *gb_field1 = GB_search(gb_species1,field,GB_FIND); GBDATA *gb_field2 = GB_search(gb_species2,field,GB_FIND); int type1; int type2; bool use_copy = true; if (gb_field2 && gb_field1){ type1 = GB_read_type(gb_field1); type2 = GB_read_type(gb_field2); if ((type1==type2) && (GB_DB != type1)) { if (append && type1 == GB_STRING) { char *s1 = GB_read_string(gb_field1); char *s2 = GB_read_string(gb_field2); if (!s1 || !s2) error = GB_await_error(); else { if (!GBS_find_string(s2,s1,0)) { error = GB_write_string(gb_field2, GBS_global_string("%s %s", s2, s1)); if (!error) error = GB_write_flag(gb_species2,1); } } free(s1); free(s2); } else { // not GB_STRING error = GB_copy(gb_field2,gb_field1); if (!error) error = GB_write_flag(gb_species2, 1); if (transfer_of_alignment && !error){ error = MG_transfer_sequence(&rm,gb_species1,gb_species2); } } use_copy = false; } } if (use_copy) { if (gb_field2) { if (gb_field1 && !append) error = GB_delete(gb_field2); } if (gb_field1 && !error) { type1 = GB_read_type(gb_field1); gb_field2 = GB_search(gb_species2,field,type1); if (!gb_field2) error = GB_await_error(); else error = GB_copy(gb_field2,gb_field1); } } } } } if (!error) error = MG_transfer_fields_info(field); error = GB_end_transaction(GLOBAL_gb_merge, error); error = GB_end_transaction(GLOBAL_gb_dest, error); aw_closestatus(); } if (error) aw_message(error); free(field); } AW_window *MG_transfer_fields(AW_root *aw_root) { GB_transaction dummy(GLOBAL_gb_merge); // awt_selection_list_rescan(gb_merge,AWT_NDS_FILTER); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "MERGE_TRANSFER_FIELD", "TRANSFER FIELD"); aws->load_xfig("merge/mg_transfield.fig"); aws->button_length(13); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("go"); aws->callback(MG_transfer_fields_cb); aws->create_button("GO","GO"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_spec_sel_field.hlp"); aws->create_button("HELP","HELP"); aws->at("append"); aws->create_toggle(AWAR_APPEND); awt_create_selection_list_on_scandb(GLOBAL_gb_merge, (AW_window*)aws,AWAR_FIELD1, AWT_NDS_FILTER, "scandb","rescandb", &AWT_species_selector, 20, 10); return (AW_window*)aws; } void MG_move_field_cb(AW_window *aww){ if (MG_check_alignment(aww,1)) { return; } AW_root *aw_root = aww->get_root(); char *field = aww->get_root()->awar(AWAR_FIELD1)->read_string(); GB_ERROR error = 0; if (field[0] == 0) { error = "Please select a field to transfer"; } else if (strcmp(field,"name") == 0) { error = "You are not allowed to transfer the 'name' field"; } else { aw_openstatus("Cross Move field"); error = GB_begin_transaction(GLOBAL_gb_merge); if (!error) error = GB_begin_transaction(GLOBAL_gb_dest); if (!error) { GBDATA *gb_species1; GBDATA *gb_species2; { char *source = aw_root->awar(AWAR_SPECIES1)->read_string(); char *dest = aw_root->awar(AWAR_SPECIES2)->read_string(); gb_species1 = GBT_find_species(GLOBAL_gb_merge, source); gb_species2 = GBT_find_species(GLOBAL_gb_dest, dest); free(dest); free(source); } if (!gb_species1) error = "Please select a species in left hitlist"; if (!gb_species2) error = "Please select a species in right hitlist"; if (!error) { GBDATA *gb_field1 = GB_search(gb_species1, field, GB_FIND); if (!gb_field1) error = GBS_global_string("Species 1 has no field '%s'",field); if (!error) { int type1 = GB_read_type(gb_field1); GBDATA *gb_field2 = GB_search(gb_species2, field, GB_FIND); if (gb_field2) { int type2 = GB_read_type(gb_field2); if ((type1==type2) && (GB_DB != type1)) { error = GB_copy(gb_field2,gb_field1); } else { // remove dest. if type mismatch or container error = GB_delete(gb_field2); gb_field2 = 0; // trigger copy } } if (!error && !gb_field2) { // destination missing or removed gb_field2 = GB_search(gb_species2,field,type1); if (!gb_field2) error = GB_await_error(); else error = GB_copy(gb_field2,gb_field1); } } if (!error) error = GB_write_flag(gb_species2,1); } } if (!error) error = MG_transfer_fields_info(field); error = GB_end_transaction(GLOBAL_gb_merge, error); error = GB_end_transaction(GLOBAL_gb_dest, error); aw_closestatus(); } if (error) aw_message(error); free(field); } AW_window *create_mg_move_fields(AW_root *aw_root) { GB_transaction dummy(GLOBAL_gb_merge); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "MERGE_CROSS_MOVE_FIELD", "CROSS MOVE FIELD"); aws->load_xfig("merge/mg_movefield.fig"); aws->button_length(13); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("go"); aws->callback(MG_move_field_cb); aws->create_button("GO","GO"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"movefield.hlp"); aws->create_button("HELP","HELP"); awt_create_selection_list_on_scandb(GLOBAL_gb_merge, (AW_window*)aws,AWAR_FIELD1, AWT_NDS_FILTER, "scandb","rescandb", &AWT_species_selector, 20, 10); return (AW_window*)aws; } void MG_merge_tagged_field_cb(AW_window *aww) { GB_transaction ta_merge(GLOBAL_gb_merge); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_dest); if (!error) { AW_root *awr = aww->get_root(); char *f1 = awr->awar(AWAR_FIELD1)->read_string(); char *f2 = awr->awar(AWAR_FIELD2)->read_string(); char *tag1 = awr->awar(AWAR_TAG1)->read_string(); char *tag2 = awr->awar(AWAR_TAG2)->read_string(); char *tag_del1 = awr->awar(AWAR_TAG_DEL1)->read_string(); GBDATA *gb_dest_species_data = GB_search(GLOBAL_gb_dest, "species_data", GB_CREATE_CONTAINER); if (!gb_dest_species_data) error = GB_await_error(); else { for (GBDATA * gb_species1 = GBT_first_species(GLOBAL_gb_merge); gb_species1 && !error; gb_species1 = GBT_next_species(gb_species1)) { if (IS_QUERIED(gb_species1)) { char *name = GBT_read_string(gb_species1, "name"); if (!name) error = GB_await_error(); else { GBDATA *gb_species2 = GBT_find_or_create_species_rel_species_data(gb_dest_species_data, name); if (!gb_species2) error = GB_await_error(); else { char *s1 = GBT_readOrCreate_string(gb_species1, f1, ""); char *s2 = GBT_readOrCreate_string(gb_species2, f2, ""); if (!s1 || !s2) error = GB_await_error(); else { char *sum = GBS_merge_tagged_strings(s1, tag1, tag_del1, s2, tag2, tag_del1); if (!sum) error = GB_await_error(); else error = GBT_write_string(gb_species2, f2, sum); free(sum); } free(s2); free(s1); } } free(name); } } } free(tag_del1); free(tag2); free(tag1); free(f2); free(f1); } GB_end_transaction_show_error(GLOBAL_gb_dest, error, aw_message); } AW_window *create_mg_merge_tagged_fields(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return aws; GB_transaction dummy(GLOBAL_gb_merge); aw_root->awar_string( AWAR_FIELD1,"full_name"); aw_root->awar_string( AWAR_FIELD2,"full_name"); aw_root->awar_string( AWAR_TAG1,"S"); aw_root->awar_string( AWAR_TAG2,"D"); aw_root->awar_string( AWAR_TAG_DEL1,"S*"); aws = new AW_window_simple; aws->init( aw_root, "MERGE_TAGGED_FIELDS", "MERGE TAGGED FIELDS"); aws->load_xfig("merge/mg_mergetaggedfield.fig"); aws->button_length(13); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("go"); aws->callback(MG_merge_tagged_field_cb); aws->create_button("GO","GO"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mergetaggedfield.hlp"); aws->create_button("HELP","HELP"); aws->at("tag1"); aws->create_input_field(AWAR_TAG1,5); aws->at("tag2"); aws->create_input_field(AWAR_TAG2,5); aws->at("del1"); aws->create_input_field(AWAR_TAG_DEL1,5); awt_create_selection_list_on_scandb(GLOBAL_gb_merge, (AW_window*)aws,AWAR_FIELD1,AWT_NDS_FILTER,"fields1",0, &AWT_species_selector, 20, 10); awt_create_selection_list_on_scandb(GLOBAL_gb_dest, (AW_window*)aws,AWAR_FIELD2,AWT_NDS_FILTER,"fields2",0, &AWT_species_selector, 20, 10); return (AW_window*)aws; } GB_ERROR MG_equal_alignments(bool autoselect_equal_alignment_name) { /** First big job: Make the alignment names equal */ char ** M_alignment_names = GBT_get_alignment_names(GLOBAL_gb_merge); char ** D_alignment_names = GBT_get_alignment_names(GLOBAL_gb_dest); GB_ERROR error = 0; char *dest = 0; if (M_alignment_names[0] == 0) { error = GB_export_error("No source sequences found"); } else { char *type = GBT_get_alignment_type_string(GLOBAL_gb_merge,M_alignment_names[0]); int s; int d; for (s=0,d=0;D_alignment_names[s];s++){ char *type2 = GBT_get_alignment_type_string(GLOBAL_gb_dest,D_alignment_names[s]); if (strcmp(type, type2) == 0) { D_alignment_names[d] = D_alignment_names[s]; if (d != s) D_alignment_names[s] = 0; ++d; } else freeset(D_alignment_names[s], 0); free(type2); } GBS_strstruct *str; char *b; int aliid; switch (d) { case 0: error = GB_export_errorf("Cannot find a target alignment with a type of '%s'\n" "You should create one first or select a different alignment type\n" "during sequence import",type); break; case 1: dest = D_alignment_names[0]; break; default: int i; if (autoselect_equal_alignment_name) { for (i = 0; i= d) { error = "Operation Aborted"; break; } dest = D_alignment_names[aliid]; } break; } if (!error && dest && strcmp(M_alignment_names[0], dest) != 0) { error = GBT_rename_alignment(GLOBAL_gb_merge,M_alignment_names[0], dest, 1, 1); if (error) { error = GBS_global_string("Failed to rename alignment '%s' to '%s' (Reason: %s)", M_alignment_names[0], dest, error); } else { GBT_add_new_changekey(GLOBAL_gb_merge, GBS_global_string("%s/data",dest),GB_STRING); } } free(type); } GBT_free_names(M_alignment_names); GBT_free_names(D_alignment_names); return error; } /** Merge the sequences of two databases */ GB_ERROR MG_simple_merge(AW_root *awr) { static char *m_name = 0; GB_ERROR error = 0; GBDATA *M_species_data = 0; GBDATA *D_species_data = 0; int overwriteall = 0; int autorenameall = 0; GB_HASH *D_species_hash = 0; GB_push_my_security(GLOBAL_gb_merge); GB_push_my_security(GLOBAL_gb_dest); GB_begin_transaction(GLOBAL_gb_merge); GB_begin_transaction(GLOBAL_gb_dest); error = MG_equal_alignments(true); if (error) goto end; M_species_data = GB_search(GLOBAL_gb_merge,"species_data",GB_CREATE_CONTAINER); D_species_data = GB_search(GLOBAL_gb_dest,"species_data",GB_CREATE_CONTAINER); GBDATA *M_species; GBDATA *D_species; freeset(m_name, 0); { long M_species_count = GB_number_of_subentries(M_species_data); long D_species_count = GB_number_of_subentries(D_species_data); // create hash containing all species from gb_dest, // but sized to hold all species from both DBs: D_species_hash = GBT_create_species_hash_sized(GLOBAL_gb_dest, M_species_count+D_species_count); } for (M_species = GB_entry(M_species_data,"species"); M_species; M_species = GB_nextEntry(M_species)) { GBDATA *M_name = GB_search(M_species,"name",GB_STRING); free(m_name); m_name = GB_read_string(M_name); int count = 1; new_try: count++; D_species = (GBDATA*)GBS_read_hash(D_species_hash, m_name); if (D_species){ if (overwriteall) { error = GB_delete(D_species); } else if (autorenameall) { GB_ERROR dummy; char *newname = AWTC_create_numbered_suffix(D_species_hash, m_name, dummy); mg_assert(newname); freeset(m_name, newname); } else { switch (aw_question(GBS_global_string("Warning: There is a name conflict for species '%s'\n" " You may:\n" " - Overwrite existing species\n" " - Overwrite all species with name conflicts\n" " - Not import species\n" " - Rename imported species\n" " - Automatically rename species (append .NUM)\n" " - Abort everything", m_name), "overwrite, overwrite all, don't import, rename, auto-rename, abort")){ case 1: overwriteall = 1; case 0: GB_delete(D_species); break; case 2: continue; case 3: { GB_ERROR warning; // duplicated species warning (does not apply here) char *autoname = AWTC_create_numbered_suffix(D_species_hash, m_name, warning); if (!autoname) autoname = strdup(m_name); freeset(m_name, aw_input("Rename species", "Enter new name of species", autoname)); free(autoname); goto new_try; } case 4: autorenameall = 1; goto new_try; case 5: error = "Operation aborted"; goto end; } } } if (!error) { D_species = GB_create_container(D_species_data,"species"); if (!D_species) error = GB_await_error(); else { error = GB_copy_with_protection(D_species, M_species, GB_TRUE); if (!error) error = GB_write_flag(D_species,1); // mark species if (!error) error = GB_write_usr_private(D_species,255); // put in hitlist if (!error) error = GBT_write_string(D_species, "name", m_name); } GBS_write_hash(D_species_hash, m_name, (long)D_species); } if (error) break; } end: if (D_species_hash) GBS_free_hash(D_species_hash); if (!error) error = MG_transfer_fields_info(); if (!error) awr->awar(AWAR_SPECIES_NAME)->write_string(m_name); error = GB_end_transaction(GLOBAL_gb_merge, error); GB_end_transaction_show_error(GLOBAL_gb_dest, error, aw_message); GB_pop_my_security(GLOBAL_gb_merge); GB_pop_my_security(GLOBAL_gb_dest); return error; } // --------------------------- // MG_species_selector // --------------------------- static void mg_select_species1(GBDATA* , AW_root *aw_root, const char *item_name) { aw_root->awar(AWAR_SPECIES1)->write_string(item_name); } static void mg_select_species2(GBDATA* , AW_root *aw_root, const char *item_name) { aw_root->awar(AWAR_SPECIES2)->write_string(item_name); } static GBDATA *mg_get_first_species_data1(GBDATA *, AW_root *, AWT_QUERY_RANGE) { return GBT_get_species_data(GLOBAL_gb_merge); } static GBDATA *mg_get_first_species_data2(GBDATA *, AW_root *, AWT_QUERY_RANGE) { return GBT_get_species_data(GLOBAL_gb_dest); } static GBDATA *mg_get_selected_species1(GBDATA */*gb_main*/, AW_root *aw_root) { GB_transaction dummy(GLOBAL_gb_merge); char *species_name = aw_root->awar(AWAR_SPECIES1)->read_string(); GBDATA *gb_species = 0; if (species_name[0]) gb_species = GBT_find_species(GLOBAL_gb_merge, species_name); free(species_name); return gb_species; } static GBDATA *mg_get_selected_species2(GBDATA */*gb_main*/, AW_root *aw_root) { GB_transaction dummy(GLOBAL_gb_dest); char *species_name = aw_root->awar(AWAR_SPECIES2)->read_string(); GBDATA *gb_species = 0; if (species_name[0]) gb_species = GBT_find_species(GLOBAL_gb_dest, species_name); free(species_name); return gb_species; } static struct ad_item_selector MG_species_selector[2]; static void mg_initialize_species_selectors() { static int initialized = 0; if (!initialized) { MG_species_selector[0] = AWT_species_selector; MG_species_selector[1] = AWT_species_selector; for (int s = 0; s <= 1; ++s) { ad_item_selector& sel = MG_species_selector[s]; sel.update_item_awars = s ? mg_select_species2 : mg_select_species1; sel.get_first_item_container = s ? mg_get_first_species_data2 : mg_get_first_species_data1; sel.get_selected_item = s ? mg_get_selected_species2 : mg_get_selected_species1; } initialized = 1; } } AW_window *MG_merge_species_cb(AW_root *awr){ static AW_window_simple_menu *aws = 0; if (aws) return (AW_window *)aws; awr->awar_string(AWAR_REMAP_SPECIES_LIST, "ecoli",GLOBAL_gb_dest); awr->awar_int(AWAR_REMAP_ENABLE, 0, GLOBAL_gb_dest); aws = new AW_window_simple_menu; aws->init( awr, "MERGE_TRANSFER_SPECIES", "TRANSFER SPECIES"); aws->load_xfig("merge/species.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_species.hlp"); aws->create_button("HELP","HELP","H"); awt_query_struct awtqs; aws->create_menu("DB_I_Expert","D"); awtqs.gb_main = GLOBAL_gb_merge; awtqs.gb_ref = GLOBAL_gb_dest; awtqs.expect_hit_in_ref_list = false; awtqs.species_name = AWAR_SPECIES1; awtqs.tree_name = 0; // no selected tree here -> can't use tree related ACI commands without specifying a tree awtqs.select_bit = 1; awtqs.ere_pos_fig = "ere1"; awtqs.by_pos_fig = "by1"; awtqs.qbox_pos_fig = "qbox1"; awtqs.rescan_pos_fig = "rescan1"; awtqs.key_pos_fig = 0; awtqs.query_pos_fig = "content1"; awtqs.result_pos_fig = "result1"; awtqs.count_pos_fig = "count1"; awtqs.do_query_pos_fig = "doquery1"; awtqs.config_pos_fig = "doconfig1"; awtqs.do_mark_pos_fig = 0; awtqs.do_unmark_pos_fig = 0; awtqs.do_delete_pos_fig = "dodelete1"; awtqs.do_set_pos_fig = "doset1"; awtqs.do_refresh_pos_fig = "dorefresh1"; awtqs.open_parser_pos_fig = "openparser1"; awtqs.use_menu = 1; mg_initialize_species_selectors(); awtqs.selector = &(MG_species_selector[0]); awt_create_query_box(aws, &awtqs, "db1"); AW_CL scannerid = awt_create_arbdb_scanner(GLOBAL_gb_merge, aws, "box1",0,0,0,AWT_SCANNER,0,0,AWT_NDS_FILTER, awtqs.selector); ad_global_scannerid1 = scannerid; aws->get_root()->awar(AWAR_SPECIES1)->add_callback(AD_map_species1); aws->create_menu("DB_II_Expert","B"); awtqs.gb_main = GLOBAL_gb_dest; awtqs.gb_ref = GLOBAL_gb_merge; awtqs.expect_hit_in_ref_list = true; awtqs.species_name = AWAR_SPECIES2; awtqs.select_bit = 1; awtqs.ere_pos_fig = "ere2"; awtqs.by_pos_fig = "by2"; awtqs.qbox_pos_fig = "qbox2"; awtqs.rescan_pos_fig = "rescan2"; awtqs.key_pos_fig = 0; awtqs.query_pos_fig = "content2"; awtqs.result_pos_fig = "result2"; awtqs.count_pos_fig = "count2"; awtqs.do_query_pos_fig = "doquery2"; awtqs.config_pos_fig = "doconfig2"; awtqs.do_mark_pos_fig = 0; awtqs.do_unmark_pos_fig = 0; awtqs.do_delete_pos_fig = "dodelete2"; awtqs.do_set_pos_fig = "doset2"; awtqs.do_refresh_pos_fig = "dorefresh2"; awtqs.open_parser_pos_fig = "openparser2"; awtqs.selector = &(MG_species_selector[1]); awt_create_query_box(aws, &awtqs, "db2"); scannerid = awt_create_arbdb_scanner(GLOBAL_gb_dest, aws, "box2",0,0,0,AWT_SCANNER,0,0,AWT_NDS_FILTER, awtqs.selector); ad_global_scannerid2 = scannerid; aws->get_root()->awar(AWAR_SPECIES2)->add_callback(AD_map_species2); // big transfer buttons: aws->button_length(13); { aws->shadow_width(3); aws->at("transsspec"); aws->callback(MG_transfer_selected_species); aws->create_button("TRANSFER_SELECTED_DELETE_DUPLICATED", "TRANSFER\nSELECTED\nSPECIES\n\nDELETE\nDUPLICATE\nIN DB II","T"); aws->at("translspec"); aws->callback(MG_transfer_species_list); aws->create_button("TRANSFER_LISTED_DELETE_DUPLI", "TRANSFER\nLISTED\nSPECIES\n\nDELETE\nDUPLICATES\nIN DB II","T"); aws->at("transfield"); aws->callback(AW_POPUP,(AW_CL)MG_transfer_fields,0); aws->create_button("TRANSFER_FIELD_OF_LISTED_DELETE_DUPLI", "TRANSFER\nFIELD\nOF LISTED\nSPECIES\n\nDELETE\nDUPLICATES\nIN DB II","T"); aws->shadow_width(1); } // adapt alignments aws->button_length(7); aws->at("adapt"); aws->create_toggle(AWAR_REMAP_ENABLE); aws->at("reference"); aws->create_text_field(AWAR_REMAP_SPECIES_LIST); aws->at("pres_sel"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_select_preserves_cb); aws->create_button("SELECT", "SELECT", "S"); // top icon aws->button_length(0); aws->at("icon"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_species.hlp"); aws->create_button("HELP_MERGE", "#merge/icon.bitmap"); aws->create_menu("DB1->DB2","-"); aws->insert_menu_topic( "compare_field_of_listed", "Compare a field of listed species ...","C","checkfield.hlp", AWM_ALL, AW_POPUP,(AW_CL)create_mg_check_fields,0); aws->insert_menu_topic( "move_field_of_selected", "Move one field of selected left species to same field of selected right species","M", "movefield.hlp", AWM_ALL, AW_POPUP,(AW_CL)create_mg_move_fields,0); aws->insert_menu_topic( "merge_field_of_listed_to_new_field", "Merge field of listed species of DB1 with different fields of same species of DB2 ","D", "mergetaggedfield.hlp", AWM_ALL, AW_POPUP,(AW_CL)create_mg_merge_tagged_fields,0); aws->insert_separator(); aws->insert_menu_topic("def_gene_species_field_xfer", "Define field transfer for gene-species", "g", "gene_species_field_transfer.hlp", AWM_ALL, AW_POPUP, (AW_CL)MG_gene_species_create_field_transfer_def_window, 0); return (AW_window *)aws; } ./arbsrc_9167/MERGE/MG_trees.cxx0000644012664100000130000001611111440743000016220 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include "merge.hxx" #define AWAR_TREE_NAME1 "tmp/merge1/tree_name" #define AWAR_TREE_DEST1 "tmp/merge1/tree_dest" #define AWAR_TREE_NAME2 "tmp/merge2/tree_name" #define AWAR_TREE_DEST2 "tmp/merge2/tree_dest" void MG_create_trees_awar(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string( AWAR_TREE_NAME1, "" , aw_def); aw_root->awar_string( AWAR_TREE_DEST1, "" , aw_def); aw_root->awar_string( AWAR_TREE_NAME2, "" , aw_def); aw_root->awar_string( AWAR_TREE_DEST2, "" , aw_def); } void MG_tree_rename_cb(AW_window *aww,GBDATA *gbd, int tree_nr){ const char *tsource = tree_nr == 1 ? AWAR_TREE_NAME1 : AWAR_TREE_NAME2; const char *tdest = tree_nr == 1 ? AWAR_TREE_DEST1 : AWAR_TREE_DEST2; char *source = aww->get_root()->awar(tsource)->read_string(); char *dest = aww->get_root()->awar(tdest)->read_string(); GB_ERROR error = GBT_check_tree_name(dest); if (!error) { error = GB_begin_transaction(gbd); if (!error) { GBDATA *gb_tree_data = GB_search(gbd, "tree_data", GB_CREATE_CONTAINER); if (!gb_tree_data) error = GB_await_error(); else { GBDATA *gb_tree_name = GB_entry(gb_tree_data, source); GBDATA *gb_dest_tree = GB_entry(gb_tree_data, dest); if (gb_dest_tree) { error = GBS_global_string("Tree '%s' already exists", dest); } else if (gb_tree_name) { GBDATA *gb_new_tree = GB_create_container(gb_tree_data,dest); error = GB_copy(gb_new_tree, gb_tree_name); if (!error) error = GB_delete(gb_tree_name); } else { error = "Please select a tree first"; } } } error = GB_end_transaction(gbd, error); } aww->hide_or_notify(error); free(source); free(dest); } AW_window *MG_create_tree_rename_window1(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "MERGE_RENAME_TREE_1", "TREE RENAME 1"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the tree"); aws->at("input"); aws->create_input_field(AWAR_TREE_DEST1,15); aws->at("ok"); aws->callback((AW_CB)MG_tree_rename_cb,(AW_CL)GLOBAL_gb_merge,1); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *MG_create_tree_rename_window2(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "MERGE_RENAME_TREE_2", "TREE RENAME 2"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the tree"); aws->at("input"); aws->create_input_field(AWAR_TREE_DEST2,15); aws->at("ok"); aws->callback((AW_CB)MG_tree_rename_cb,(AW_CL)GLOBAL_gb_dest,2); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void MG_tr_delete_cb(AW_window *aww,GBDATA *gbd, long tree_nr){ const char *tsource = tree_nr == 1 ? AWAR_TREE_NAME1 : AWAR_TREE_NAME2; char *source = aww->get_root()->awar(tsource)->read_string(); GB_ERROR error = GB_begin_transaction(gbd); if (!error) { GBDATA *gb_tree = GBT_get_tree(gbd, source); if (gb_tree) error = GB_delete(gb_tree); else { if (GB_have_error()) error = GBS_global_string("Could not find tree '%s' (Reason: %s)", source, GB_await_error()); else error = "Please select a tree"; } } GB_end_transaction_show_error(gbd, error, aw_message); free(source); } void MG_transfer_tree(AW_window *aww){ AW_root *awr = aww->get_root(); char *source = awr->awar(AWAR_TREE_NAME1)->read_string(); char *dest = awr->awar(AWAR_TREE_NAME1)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_dest); if (!error) error = GB_begin_transaction(GLOBAL_gb_merge); if (!error) { GBDATA *gb_tree_data1 = GB_search(GLOBAL_gb_merge,"tree_data",GB_CREATE_CONTAINER); GBDATA *gb_tree_data2 = GB_search(GLOBAL_gb_dest,"tree_data",GB_CREATE_CONTAINER); if (!gb_tree_data1 || !gb_tree_data2) error = GB_await_error(); else { GBDATA *gb_source = GB_entry(gb_tree_data1, source); GBDATA *gb_dest_tree = GB_entry(gb_tree_data2, dest); if (!gb_source) error = "Please select the tree you want to transfer"; else if (gb_dest_tree) error = GBS_global_string("Tree '%s' already exists, delete it first", dest); else { gb_dest_tree = GB_create_container(gb_tree_data2,dest); if (!gb_dest_tree) error = GB_await_error(); else error = GB_copy(gb_dest_tree,gb_source); } } } error = GB_end_transaction(GLOBAL_gb_dest, error); GB_end_transaction_show_error(GLOBAL_gb_merge, error, aw_message); free(source); free(dest); } AW_window *MG_merge_trees_cb(AW_root *awr){ static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( awr, "MERGE_TREES", "MERGE TREES"); aws->load_xfig("merge/trees.fig"); aws->button_length(20); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_trees.hlp"); aws->create_button("HELP","HELP","H"); aws->at("trees1"); awt_create_selection_list_on_trees(GLOBAL_gb_merge,(AW_window *)aws,AWAR_TREE_NAME1); aws->at("trees2"); awt_create_selection_list_on_trees(GLOBAL_gb_dest,(AW_window *)aws,AWAR_TREE_NAME2); aws->at("delete1"); aws->callback((AW_CB)MG_tr_delete_cb,(AW_CL)GLOBAL_gb_merge,1); aws->create_button("DELETE TREE_DB1", "Delete Tree"); aws->at("delete2"); aws->callback((AW_CB)MG_tr_delete_cb,(AW_CL)GLOBAL_gb_dest,2); aws->create_button("DELETE_TREE_DB2", "Delete Tree"); aws->at("rename1"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_create_tree_rename_window1); aws->create_button("RENAME_TREE_DB1", "Rename Tree"); aws->at("rename2"); aws->callback((AW_CB1)AW_POPUP,(AW_CL)MG_create_tree_rename_window2); aws->create_button("RENAME_TREE_DB2", "Rename Tree"); aws->at("transfer"); aws->callback(MG_transfer_tree); aws->create_button("TRANSFER_TREE", "Transfer Tree"); aws->button_length(0); aws->shadow_width(1); aws->at("icon"); aws->callback(AW_POPUP_HELP,(AW_CL)"mg_trees.hlp"); aws->create_button("HELP_MERGE", "#merge/icon.bitmap"); return (AW_window *)aws; } ./arbsrc_9167/MULTI_PROBE/Makefile0000644012664100000130000002456611440743000016426 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = MP_main.o MP_Window.o MP_noclass.o MP_sonde.o MP_sondentopf.o MP_mo_liste.o MP_probe.o \ MP_GenerationDuplicates.o MP_Generation.o MP_probe_combi_statistic.o MP_probe_tabs.o \ MP_permute.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a #.IGNORE: # clean DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl MP_Generation.o: MP_externs.hxx MP_Generation.o: MP_probe.hxx MP_Generation.o: mpdefs.h MP_Generation.o: MultiProbe.hxx MP_Generation.o: SoTl.hxx MP_Generation.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_Generation.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_Generation.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_Generation.o: $(ARBHOME)/INCLUDE/arbdb.h MP_Generation.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_Generation.o: $(ARBHOME)/INCLUDE/attributes.h MP_Generation.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_Generation.o: $(ARBHOME)/INCLUDE/client.h MP_Generation.o: $(ARBHOME)/INCLUDE/PT_com.h MP_Generation.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_GenerationDuplicates.o: MP_externs.hxx MP_GenerationDuplicates.o: MP_probe.hxx MP_GenerationDuplicates.o: mpdefs.h MP_GenerationDuplicates.o: MultiProbe.hxx MP_GenerationDuplicates.o: SoTl.hxx MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/arbdb.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/attributes.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/client.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/PT_com.h MP_GenerationDuplicates.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_main.o: MP_externs.hxx MP_main.o: MP_probe.hxx MP_main.o: mp_proto.hxx MP_main.o: mpdefs.h MP_main.o: MultiProbe.hxx MP_main.o: SoTl.hxx MP_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_main.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_main.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_main.o: $(ARBHOME)/INCLUDE/arbdb.h MP_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_main.o: $(ARBHOME)/INCLUDE/attributes.h MP_main.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_main.o: $(ARBHOME)/INCLUDE/aw_device.hxx MP_main.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MP_main.o: $(ARBHOME)/INCLUDE/aw_position.hxx MP_main.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_main.o: $(ARBHOME)/INCLUDE/aw_window.hxx MP_main.o: $(ARBHOME)/INCLUDE/client.h MP_main.o: $(ARBHOME)/INCLUDE/PT_com.h MP_main.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_mo_liste.o: MP_externs.hxx MP_mo_liste.o: MP_probe.hxx MP_mo_liste.o: mpdefs.h MP_mo_liste.o: MultiProbe.hxx MP_mo_liste.o: SoTl.hxx MP_mo_liste.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/arbdb.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/arbdbt.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/attributes.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_mo_liste.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_mo_liste.o: $(ARBHOME)/INCLUDE/client.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/PT_com.h MP_mo_liste.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_noclass.o: MP_externs.hxx MP_noclass.o: MP_probe.hxx MP_noclass.o: mp_proto.hxx MP_noclass.o: mpdefs.h MP_noclass.o: MultiProbe.hxx MP_noclass.o: SoTl.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_noclass.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_noclass.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MP_noclass.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_noclass.o: $(ARBHOME)/INCLUDE/arbdb.h MP_noclass.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_noclass.o: $(ARBHOME)/INCLUDE/arbdbt.h MP_noclass.o: $(ARBHOME)/INCLUDE/attributes.h MP_noclass.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/aw_device.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/aw_position.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/aw_window.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/awt.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/awt_dtree.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/awt_tree.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/awt_tree_cb.hxx MP_noclass.o: $(ARBHOME)/INCLUDE/client.h MP_noclass.o: $(ARBHOME)/INCLUDE/PT_com.h MP_noclass.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_permute.o: MP_externs.hxx MP_permute.o: MP_probe.hxx MP_permute.o: mpdefs.h MP_permute.o: MultiProbe.hxx MP_permute.o: SoTl.hxx MP_permute.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_permute.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_permute.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_permute.o: $(ARBHOME)/INCLUDE/arbdb.h MP_permute.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_permute.o: $(ARBHOME)/INCLUDE/attributes.h MP_permute.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_permute.o: $(ARBHOME)/INCLUDE/client.h MP_permute.o: $(ARBHOME)/INCLUDE/PT_com.h MP_permute.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_probe.o: MP_externs.hxx MP_probe.o: MP_probe.hxx MP_probe.o: mpdefs.h MP_probe.o: MultiProbe.hxx MP_probe.o: SoTl.hxx MP_probe.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_probe.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_probe.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_probe.o: $(ARBHOME)/INCLUDE/arbdb.h MP_probe.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_probe.o: $(ARBHOME)/INCLUDE/attributes.h MP_probe.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_probe.o: $(ARBHOME)/INCLUDE/aw_device.hxx MP_probe.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MP_probe.o: $(ARBHOME)/INCLUDE/aw_position.hxx MP_probe.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_probe.o: $(ARBHOME)/INCLUDE/aw_window.hxx MP_probe.o: $(ARBHOME)/INCLUDE/client.h MP_probe.o: $(ARBHOME)/INCLUDE/PT_com.h MP_probe.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_probe_combi_statistic.o: MP_externs.hxx MP_probe_combi_statistic.o: MP_probe.hxx MP_probe_combi_statistic.o: mpdefs.h MP_probe_combi_statistic.o: MultiProbe.hxx MP_probe_combi_statistic.o: SoTl.hxx MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/arbdb.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/attributes.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/client.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/PT_com.h MP_probe_combi_statistic.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_probe_tabs.o: MP_externs.hxx MP_probe_tabs.o: MP_probe.hxx MP_probe_tabs.o: mpdefs.h MP_probe_tabs.o: MultiProbe.hxx MP_probe_tabs.o: SoTl.hxx MP_probe_tabs.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/arbdb.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/attributes.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_probe_tabs.o: $(ARBHOME)/INCLUDE/client.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/PT_com.h MP_probe_tabs.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_sonde.o: MP_externs.hxx MP_sonde.o: MP_probe.hxx MP_sonde.o: mpdefs.h MP_sonde.o: MultiProbe.hxx MP_sonde.o: SoTl.hxx MP_sonde.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_sonde.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_sonde.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MP_sonde.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_sonde.o: $(ARBHOME)/INCLUDE/arbdb.h MP_sonde.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_sonde.o: $(ARBHOME)/INCLUDE/arbdbt.h MP_sonde.o: $(ARBHOME)/INCLUDE/attributes.h MP_sonde.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_sonde.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx MP_sonde.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_sonde.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx MP_sonde.o: $(ARBHOME)/INCLUDE/awt_tree.hxx MP_sonde.o: $(ARBHOME)/INCLUDE/client.h MP_sonde.o: $(ARBHOME)/INCLUDE/PT_com.h MP_sonde.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_sondentopf.o: MP_externs.hxx MP_sondentopf.o: MP_probe.hxx MP_sondentopf.o: mpdefs.h MP_sondentopf.o: MultiProbe.hxx MP_sondentopf.o: SoTl.hxx MP_sondentopf.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/ad_t_prot.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/arbdb.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/arbdbt.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/attributes.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_sondentopf.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx MP_sondentopf.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_sondentopf.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx MP_sondentopf.o: $(ARBHOME)/INCLUDE/awt_tree.hxx MP_sondentopf.o: $(ARBHOME)/INCLUDE/client.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/PT_com.h MP_sondentopf.o: $(ARBHOME)/INCLUDE/servercntrl.h MP_Window.o: MP_externs.hxx MP_Window.o: MP_probe.hxx MP_Window.o: mp_proto.hxx MP_Window.o: mpdefs.h MP_Window.o: MultiProbe.hxx MP_Window.o: SoTl.hxx MP_Window.o: $(ARBHOME)/INCLUDE/ad_k_prot.h MP_Window.o: $(ARBHOME)/INCLUDE/ad_prot.h MP_Window.o: $(ARBHOME)/INCLUDE/arb_assert.h MP_Window.o: $(ARBHOME)/INCLUDE/arbdb.h MP_Window.o: $(ARBHOME)/INCLUDE/arbdb_base.h MP_Window.o: $(ARBHOME)/INCLUDE/attributes.h MP_Window.o: $(ARBHOME)/INCLUDE/aw_awars.hxx MP_Window.o: $(ARBHOME)/INCLUDE/aw_device.hxx MP_Window.o: $(ARBHOME)/INCLUDE/aw_global.hxx MP_Window.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx MP_Window.o: $(ARBHOME)/INCLUDE/aw_position.hxx MP_Window.o: $(ARBHOME)/INCLUDE/aw_root.hxx MP_Window.o: $(ARBHOME)/INCLUDE/aw_window.hxx MP_Window.o: $(ARBHOME)/INCLUDE/awt.hxx MP_Window.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx MP_Window.o: $(ARBHOME)/INCLUDE/client.h MP_Window.o: $(ARBHOME)/INCLUDE/PT_com.h MP_Window.o: $(ARBHOME)/INCLUDE/servercntrl.h ./arbsrc_9167/MULTI_PROBE/mpdefs.h0000644012664100000130000000263111440743000016402 0ustar arb_buildcoders#ifndef MPDEFS #define MPDEFS //#include #ifndef _STDIO_H #include #endif #ifndef ARBDB_H #include #endif #include #include #include #define TRUE 1 #define FALSE 0 #define SEPARATOR "#" #define NON_WEIGHTED 0 enum { MP_NO_PROBE = 0, MP_PROBE1 = 1, MP_PROBE2 = 2, MP_PROBE3 = 4, MP_PROBE4 = 8, MP_PROBE5 = 16, MP_PROBE6 = 32, MP_PROBE7 = 64, MP_PROBE8 = 128 }; class Bakt_Info; class Hit; class Sonde; class MO_Liste; class Sondentopf; typedef struct _baktmm { long nummer; double mismatch; } MO_Mismatch; struct MP_list_elem { void *elem; MP_list_elem *next; }; struct apd_sequence { apd_sequence *next; char *sequence; }; extern struct Params{ int DESIGNCPLIPOUTPUT; int SERVERID; char *DESINGNAMES; int DESIGNPROBELENGTH; char *DESIGNSEQUENCE; int MINTEMP; int MAXTEMP; int MINGC; int MAXGC; int MAXBOND; int MINPOS; int MAXPOS; int MISHIT; int MINTARGETS; char *SEQUENCE; int MISMATCHES; int COMPLEMENT; int WEIGHTED; apd_sequence *sequence; } P; extern struct mp_gl_struct{ aisc_com *link; T_PT_LOCS locs; T_PT_MAIN com; int pd_design_id; } mp_pd_gl; #endif ./arbsrc_9167/MULTI_PROBE/MP_externs.hxx0000644012664100000130000000244411440743000017572 0ustar arb_buildcoders#ifndef MPEXTERNS #define MPEXTERNS class AW_window; class AW_root; typedef long AW_CL; // generic client data type (void *) void MP_take_manual_sequence(AW_window *aww); void MP_clear_manual_sequence(AW_window *aww); void MP_leftright(AW_window *aww); void MP_rightleft(AW_window *aww); void MP_all_right(AW_window *aww); void MP_del_all_sel_probes(AW_window *aww); void MP_del_all_probes(AW_window *aww); void MP_del_sel_probes(AW_window *aww); void MP_del_probes(AW_window *aww); void MP_show_probes_in_tree(AW_window *aww); void MP_show_probes_in_tree_move(AW_window *aww, AW_CL cl_backward, AW_CL cl_result_probes_list); void MP_popup_result_window(AW_window *aww); void MP_del_all_result(AW_window *aww); void MP_del_sel_result(AW_window *aww); void MP_stop_comp(AW_window *aww); void MP_result_chosen(AW_window *aww); void MP_close_main(AW_window *aww); void MP_group_all_except_marked(AW_window *aww); void MP_normal_colors_in_tree(AW_window *aww); void MP_selected_chosen(AW_window *aww); char *MP_get_comment(int which, char *str); //faengt bei 1 an char *MP_remove_comment(char *); char *MP_get_probes(char *str); int MP_init_local_com_struct(); const char *MP_probe_pt_look_for_server(); // int MP_probe_design_send_data(T_PT_PDC pdc); #endif ./arbsrc_9167/MULTI_PROBE/MP_Generation.cxx0000644012664100000130000002767511440743000020205 0ustar arb_buildcoders#include #include #include extern BOOL check_status(int gen_cnt, double avg_fit, double min_fit, double max_fit); BOOL Stop_evaluation = FALSE; probe_combi_statistic *Generation::single_in_generation(probe_combi_statistic *field) { BOOL result = TRUE; if (!dup_tree) return NULL; dup_tree->insert(field, result); //dup_tree muss fuer jede Generation neu erstellt werden !!!! //dieser Aufruf wird nur zur Vermeidung von doppelten //Sondenkombis benoetigt if (result) //wenn result, dann in generation einmalig return field; return NULL; //field ist ein Duplikat } void Generation::print() { for (int i=0; iprint(); } void Generation::check_for_results() { for (int i=0; iget_p_eval()->insert_in_result_list(probe_combi_stat_array[i]); } } void Generation::calc_fitness(int flag, double old_avg_fit) //reoulette_wheel wird DANACH initialisiert { double fitness = 0; double dummy = 0; int i; for (i=0; icalc_fitness(mp_gl_awars.no_of_probes); fitness += dummy; if (i==0) min_fit = max_fit = dummy; if (dummy < min_fit) min_fit = dummy; else if (dummy > max_fit) max_fit = dummy; if (!check_status(generation_counter, old_avg_fit, min_fit, max_fit)) //Berechnungen abbrechen { Stop_evaluation = TRUE; probe_combi_array_length = i-1; return; } } if (flag == NO_GENETIC_ALG) //wenn kein gen. ALgorithmus verwendet wird, dann return; //muss der Rest nicht berechnet werden. average_fitness = fitness / (double)probe_combi_array_length; // printf("--------------------------------------------------------------------------------------------------------------------\n"); // printf("BEWERTUNG FUER DIE GENERATION:\n"); // printf("Generation: %d max: %f min: %f avg: %f\n", generation_counter, max_fit, min_fit, average_fitness); // printf("probe_combi_array_lentgh : %d\n",probe_combi_array_length); // printf("--------------------------------------------------------------------------------------------------------------------\n"); deviation = 0; #ifdef USE_LINEARSCALING double dev = 0; double a = 0, b = 0; #ifdef USE_SIGMATRUNCATION for (i=0; iget_fitness() - average_fitness; dev = dev * dev; deviation += dev; } deviation = (1.0 / (double)((double)i - 1.0)) * deviation; deviation = sqrt(deviation); for (i=0; isigma_truncation(average_fitness, deviation); #endif //lineare Skalierung auf fitness anwenden !!! //Skalierung erfolgt nach der Formel fitness'= a*fitness + b prescale(&a, &b); //Koeffizienten a und b berechnen #endif for (i=0; iscale(a,b); #endif probe_combi_stat_array[i]->calc_expected_children(average_fitness); } init_roulette_wheel(); } void Generation::prescale(double *a, double *b) //berechnet Koeffizienten fuer lineare Skalierung { double delta = 0; if ((min_fit > C_MULT * average_fitness - max_fit) / (C_MULT - 1.0)) //nach Goldberg S.79 { delta = max_fit - average_fitness; // Normale Skalierung *a = (C_MULT - 1.0) * average_fitness / delta; *b = average_fitness * (max_fit - C_MULT * average_fitness) / delta; } else //Skalieren soweit moeglich { delta = average_fitness - min_fit; *a = average_fitness / delta; *b = -min_fit * average_fitness / delta; } } void Generation::init_roulette_wheel() { int i=0; len_roulette_wheel = 0; while (iget_expected_children())); //um aus z.B. 4,2 42 zu machen } probe_combi_statistic *Generation::choose_combi_for_next_generation() { int random_help = get_random(0,len_roulette_wheel-1), i; for (i=0; iget_expected_children()); if (random_help <= 0) { if (probe_combi_stat_array[i]->ok_for_next_gen(len_roulette_wheel)) return probe_combi_stat_array[i]; else { random_help = get_random(0,len_roulette_wheel-1); i = -1; } } } return NULL; } Generation *Generation::create_next_generation() { Generation *child_generation = new Generation(MAXPOPULATION, generation_counter+1); probe_combi_statistic *first_child_pcs = NULL, *second_child_pcs = NULL, *orig1 = NULL, *orig2 = NULL; int cnt = 0; #ifdef USE_DUP_TREE BOOL res; #endif while (len_roulette_wheel > 1) // kann kleiner sein, wenn Population kleiner als MAXPOPULATION { cnt++; orig1 = choose_combi_for_next_generation(); orig2 = choose_combi_for_next_generation(); if (! orig1 && ! orig2) break; else if (!orig1 && orig2) { orig1 = orig2; orig2 = NULL; } delete first_child_pcs; delete second_child_pcs; first_child_pcs = second_child_pcs = NULL; first_child_pcs = orig1->duplicate(); if (orig2) second_child_pcs = orig2->duplicate(); if (orig2 && get_random(1,100) <= CROSSOVER_WS) //Crossover durchfueheren { first_child_pcs->crossover_Probes(second_child_pcs); first_child_pcs->init_life_counter(); //wenn Crossover durchgefuehrt wird, dann Lebensdauer wieder initialisieren, da second_child_pcs->init_life_counter(); //sich die Gene veraendert haben len_roulette_wheel -= orig1->sub_expected_children(0.5); //Verfahren nach Goldberg S.115 len_roulette_wheel -= orig2->sub_expected_children(0.5); } else { first_child_pcs->sub_life_counter(); //Gene gleich geblieben => Lebensdauer verkuerzen len_roulette_wheel -= orig1->sub_expected_children(1.0); //nur tatsaechlich subtrahierte Zahl abziehen !!! if (orig2) { second_child_pcs->sub_life_counter(); len_roulette_wheel -= orig2->sub_expected_children(1.0); } } first_child_pcs->mutate_Probe(); //fuer jede Position wird mit 1/MUTATION_WS eine Mutation durchgefuehrt. if (orig2) //Mutationen durchfuehren second_child_pcs->mutate_Probe(); #ifdef USE_DUP_TREE res = TRUE; if (child_generation->get_dup_tree()->insert(first_child_pcs, res, 0)) { if (!child_generation->insert(first_child_pcs)) //Population schon auf MAXPOPULATION break; } res = TRUE; if (child_generation->get_dup_tree()->insert(second_child_pcs, res, 0)) { if (orig2) if (!child_generation->insert(second_child_pcs)) break; } #else if (!child_generation->insert(first_child_pcs)) //Population schon auf MAXPOPULATION break; if (orig2) if (!child_generation->insert(second_child_pcs)) break; #endif } delete first_child_pcs; delete second_child_pcs; if (len_roulette_wheel <= 1) child_generation->set_length(); //probe_combi_array_length muss andere laenge bekommen // printf("Generationenschleife : %d\n",cnt); return child_generation; } void Generation::gen_determ_combis(int beg, int len, int &pos_counter, probe_combi_statistic *p) { int i, j; probe_combi_statistic *bastel_probe_combi; if (len == 0) { probe_combi_stat_array[pos_counter++] = p; return; } for (i=beg; i <= mp_main->get_p_eval()->get_pool_length() - len; i++) { bastel_probe_combi = new probe_combi_statistic(); for (j=0; j < mp_gl_awars.no_of_probes - len; j++) bastel_probe_combi->set_probe_combi(j, p->get_probe_combi(j)); if (len == mp_gl_awars.no_of_probes || (mp_main-> get_p_eval()-> get_probe_pool())[i]-> probe_index != bastel_probe_combi-> get_probe_combi(mp_gl_awars.no_of_probes - len - 1)->probe_index) { bastel_probe_combi->set_probe_combi( mp_gl_awars.no_of_probes - len, (mp_main->get_p_eval()->get_probe_pool())[i]); gen_determ_combis(i+1, len-1, pos_counter, bastel_probe_combi); } if (len !=1) delete bastel_probe_combi; } } BOOL Generation::insert(probe_combi_statistic *pcs) { if (last_elem == MAXPOPULATION) return FALSE; probe_combi_stat_array[last_elem++] = pcs->duplicate(); probe_combi_array_length = last_elem; return TRUE; } void Generation::init_valuation() { int i, counter=0; probe *random_probe; int zw_erg; probe_combi_statistic *pcs; int pos = 0; if (probe_combi_array_length < MAXINITPOPULATION) { gen_determ_combis(0,mp_gl_awars.no_of_probes, pos, NULL); //probe_combi_stat_array ist danach gefuellt !!! probe_combi_array_length = pos; return; //aufruf der funktion fuer die letzte Generation } counter = 0; pcs = new probe_combi_statistic(); while (counter < probe_combi_array_length) //Hier erfolgt die Generierung des probe_combi_stat_array { for (i=0; iget_p_eval()->get_pool_length()-1); random_probe = (mp_main->get_p_eval()->get_probe_pool())[zw_erg]; pcs->set_probe_combi(i, random_probe); } if (pcs->check_duplicates(dup_tree)) //2 gleiche Sonden in der Kombination => nicht verwendbar { probe_combi_stat_array[counter++] = pcs; if (counter < probe_combi_array_length) pcs = new probe_combi_statistic(); } } } Generation::Generation(int len, int gen_nr) { memset( (char *)this, 0, sizeof(Generation) ); probe_combi_array_length = len; probe_combi_stat_array = new probe_combi_statistic*[probe_combi_array_length]; //probe_combi_array_length entspricht // der Groesse der Ausgangspopulation memset(probe_combi_stat_array, 0, probe_combi_array_length * sizeof(probe_combi_statistic*)); // Struktur mit 0 initialisieren. generation_counter = gen_nr; #ifdef USE_DUP_TREE dup_tree = new GenerationDuplicates(mp_main->get_p_eval()->get_size_sondenarray()); //nur wenn sondenkombis nur einmal // in der Generation vorkommen duerfen #endif } Generation::~Generation() { int i; for (i=0; i #include BOOL GenerationDuplicates::insert(probe_combi_statistic *sondenkombi, BOOL &result, int depth) //initial muss result TRUE sein { int max_depth = mp_gl_awars.no_of_probes; if (depth == max_depth) { result = FALSE; return FALSE; } if (! next[sondenkombi->get_probe_combi(depth)->probe_index]) //sonde muss auf alle Faelle bis zuletzt eingetragen werden { if (depth == max_depth-1) { next[sondenkombi->get_probe_combi(depth)->probe_index] = new GenerationDuplicates(1); next_mism[sondenkombi->get_probe_combi(depth)->allowed_mismatches] = 1; return TRUE; } else { next[sondenkombi->get_probe_combi(depth)->probe_index] = new GenerationDuplicates(intern_size); next_mism[sondenkombi->get_probe_combi(depth)->allowed_mismatches] = 1; return next[sondenkombi->get_probe_combi(depth)->probe_index]->insert(sondenkombi, result, depth+1); } } result = result && next_mism[sondenkombi->get_probe_combi(depth)->allowed_mismatches]; next[sondenkombi->get_probe_combi(depth)->probe_index]->insert(sondenkombi, result, depth+1); //man kann erst ganz unten entscheiden, ob doppelt oder nicht return result; } GenerationDuplicates::GenerationDuplicates(int size) //size muss die Groesse des Sondenarrays in ProbeValuation enthalten { intern_size = size; next = new GenerationDuplicates*[size]; next_mism = new int[MAXMISMATCHES]; memset(next_mism, 0, MAXMISMATCHES * sizeof(int)); memset(next, 0, size * sizeof(GenerationDuplicates*)); } GenerationDuplicates::~GenerationDuplicates() { for (int i=0; i #include void MP_list::append_elem_backwards( void *elem ) { MP_list_elem *new_list_elem; if ( elem == NULL ) return; new_list_elem = new MP_list_elem; new_list_elem->elem = elem; new_list_elem->next = NULL; if ( this->first == NULL) { this->first = new_list_elem; this->last = new_list_elem; this->no_of_entries++; return; } new_list_elem->next = this->first; this->first = new_list_elem; this->no_of_entries++; return; } void MP_list::append_elem( void *elem ) { MP_list_elem *new_list_elem; if ( elem == NULL ) return; new_list_elem = new MP_list_elem; new_list_elem->elem = elem; new_list_elem->next = NULL; if ( this->first == NULL) { this->first = new_list_elem; this->last = new_list_elem; this->no_of_entries++; return; } this->last->next = new_list_elem; this->last = new_list_elem; this->no_of_entries++; return; } void MP_list::delete_elem( void *elem ) { MP_list_elem *current_list_elem, *previous_list_elem; current_list_elem = this->first; previous_list_elem = NULL; while ( (current_list_elem!= NULL) && (current_list_elem->elem != elem) ) { previous_list_elem = current_list_elem; current_list_elem = current_list_elem->next; } if ( current_list_elem == NULL ) return; if ( current_list_elem == this->first ) { if ( current_list_elem == this->last ) this->last = NULL; this->first = current_list_elem->next; } else { previous_list_elem->next = current_list_elem->next; if ( current_list_elem == this->last ) this->last = previous_list_elem; } this->no_of_entries--; delete current_list_elem; return; } short MP_list::is_elem( void *elem ) { MP_list_elem *current_list_elem = this->first; if ( elem == NULL ) return ( FALSE ); while (current_list_elem && current_list_elem->elem != elem) current_list_elem = current_list_elem->next; return (current_list_elem) ? TRUE : FALSE; } MP_list::MP_list() { this->first = NULL; this->last = NULL; this->no_of_entries = 0; } MP_list::~MP_list() { } ./arbsrc_9167/MULTI_PROBE/MP_main.cxx0000644012664100000130000001014611440743000017017 0ustar arb_buildcoders#include #include #include #include "MultiProbe.hxx" #include "mp_proto.hxx" awar_vars mp_gl_awars; MP_Main *mp_main = NULL; char MP_probe_tab[256]; //zum checken, ob ein eingegebener Sondenstring ok ist int remembered_mismatches; int anz_elem_marked = 0; int anz_elem_unmarked = 0; int outside_mismatches = 0; BOOL pt_server_different = FALSE; double MAXMARKEDFACTOR = 1.0; double MINUNMARKEDFACTOR = 1.0; double SUMMARKEDFACTOR = 1.0; double SUMUNMARKEDFACTOR = 1.0; MP_Main::MP_Main(AW_root *awr,AWT_canvas *ntwt) { aw_root = awr; ntw = ntwt; stc = NULL; create_awars(); mp_window = new MP_Window(aw_root); p_eval = NULL; } MP_Main::~MP_Main() { aw_root->awar_int(MP_AWAR_QUALITY)->remove_callback(MP_gen_quality,(AW_CL)0,(AW_CL)0); aw_root->awar_int(MP_AWAR_SINGLEMISMATCHES)->remove_callback(MP_gen_singleprobe,(AW_CL)0,(AW_CL)0); aw_root->awar_int(MP_AWAR_MISMATCHES)->remove_callback(MP_modify_selected,(AW_CL)0,(AW_CL)0); delete p_eval; delete stc; delete mp_window; delete glob_old_seq; glob_old_seq = NULL; new_pt_server = TRUE; } void MP_Main::destroy_probe_eval() { delete p_eval; p_eval = NULL; } ProbeValuation *MP_Main::new_probe_eval(char **field, int size, int *array, int *single_mismatch) { p_eval = new ProbeValuation(field, size, array, single_mismatch); p_eval->set_act_gen(new Generation(p_eval->get_max_init_for_gen(), 1)); //erste Generation = Ausgangspopulation return p_eval; } void MP_Main::create_awars() { aw_root->awar_string(MP_AWAR_SEQUENZEINGABE)->add_target_var(& mp_gl_awars.manual_sequence); aw_root->awar_string(MP_AWAR_SELECTEDPROBES)->add_target_var(& mp_gl_awars.selected_probes); aw_root->awar_string(MP_AWAR_PROBELIST)->add_target_var(& mp_gl_awars.probelist); aw_root->awar_int(MP_AWAR_WEIGHTEDMISMATCHES)->add_target_var(& mp_gl_awars.weightedmismatches)->write_int(2); aw_root->awar_int(MP_AWAR_COMPLEMENT,1)->add_target_var(& mp_gl_awars.complement); aw_root->awar_int(MP_AWAR_MISMATCHES)->add_target_var(& mp_gl_awars.no_of_mismatches)->add_callback(MP_modify_selected,(AW_CL)0,(AW_CL)0); remembered_mismatches = 0; //derselbe initiale Wert wie mp_gl_awars.no_of_mismatches aw_root->awar_int(MP_AWAR_PTSERVER)->add_target_var( & mp_gl_awars.ptserver); aw_root->awar_string(MP_AWAR_RESULTPROBES)->add_target_var( & mp_gl_awars.result_probes ); aw_root->awar_string(MP_AWAR_RESULTPROBESCOMMENT)->add_target_var( & mp_gl_awars.result_probes_comment ); aw_root->awar_int(MP_AWAR_NOOFPROBES)->add_target_var( & mp_gl_awars.no_of_probes )->write_int(3); aw_root->awar_int(MP_AWAR_QUALITY)->add_target_var( & mp_gl_awars.probe_quality )->add_callback(MP_gen_quality,(AW_CL)0,(AW_CL)0)->write_int(QUALITYDEFAULT); aw_root->awar_int(MP_AWAR_SINGLEMISMATCHES)->add_target_var( & mp_gl_awars.singlemismatches )->add_callback(MP_gen_singleprobe,(AW_CL)0,(AW_CL)0); aw_root->awar_float(MP_AWAR_OUTSIDEMISMATCHES)->add_target_var( & mp_gl_awars.outside_mismatches_difference )->write_float(1.0); aw_root->awar_int(MP_AWAR_QUALITYBORDER1)->add_target_var( & mp_gl_awars.qualityborder_best )->write_int(5); aw_root->awar_int(MP_AWAR_EMPHASIS)->add_target_var( & mp_gl_awars.emphasis )->write_int(0); aw_root->awar_float(MP_AWAR_GREYZONE)->add_target_var( & mp_gl_awars.greyzone )->write_float(0.0); aw_root->awar_int(MP_AWAR_ECOLIPOS)->add_target_var( & mp_gl_awars.ecolipos )->write_int(0); aw_root->awar_int(MP_AWAR_AUTOADVANCE,1); } void create_tables() { int i; //probe_tab for (i=0; i<256; i++) MP_probe_tab[i] = FALSE; const unsigned char *true_chars = (const unsigned char *)"atgucnATGUCN"; for (i = 0; true_chars[i]; ++i) { MP_probe_tab[true_chars[i]] = TRUE; } } AW_window *MP_main(AW_root *root, AW_default def) { if (!mp_main) { create_tables(); mp_main = new MP_Main(root, (AWT_canvas *)def); } AW_window *aw = mp_main->get_mp_window()->get_window(); aw->show(); return aw; } ./arbsrc_9167/MULTI_PROBE/MP_mo_liste.cxx0000644012664100000130000001170711440743000017712 0ustar arb_buildcoders#include #include #include #include #include //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~Methoden MO_Liste MO_Liste::MO_Liste() { laenge = 0;; mo_liste = NULL; current = 0; hashptr = NULL; // Nach dem new muss die MO_Liste erst mit fill_all_bakts bzw fill_marked_bakts gefuellt werden } MO_Liste::~MO_Liste() { while (laenge) { delete mo_liste[laenge-1]; laenge--; } delete [] mo_liste; GBS_free_hash(hashptr); } void MO_Liste::get_all_species() { const char *servername = NULL; char *match_name = NULL; char toksep[2]; char *probe = NULL; char *locs_error; bytestring bs; int i = 0; long j = 0, nr_of_species; if( !(servername=MP_probe_pt_look_for_server()) ){ return; } mp_pd_gl.link = (aisc_com *)aisc_open(servername, &mp_pd_gl.com,AISC_MAGIC_NUMBER); servername = 0; if (!mp_pd_gl.link) { aw_message ("Cannot contact Probe bank server "); return; } if (MP_init_local_com_struct() ) { aw_message ("Cannot contact Probe bank server (2)"); return; } if (aisc_put(mp_pd_gl.link,PT_LOCS, mp_pd_gl.locs, NULL)) { free(probe); aw_message ("Connection to PT_SERVER lost (4)"); return; } bs.data = 0; aisc_get( mp_pd_gl.link, PT_LOCS, mp_pd_gl.locs, LOCS_MP_ALL_SPECIES_STRING, &bs, LOCS_MP_COUNT_ALL_SPECIES, &nr_of_species, LOCS_ERROR, &locs_error, NULL); if (*locs_error) { aw_message(locs_error); } free(locs_error); laenge = nr_of_species; mo_liste = new Bakt_Info*[laenge+2]; while (jget_name(); else return NULL; } long MO_Liste::get_index_by_entry(const char* key) { if (key) return (GBS_read_hash(hashptr, key)); else return 0; } Bakt_Info* MO_Liste::get_bakt_info_by_index(long index) { if ( ( 0 #include #include #include #include #include #include #include #include #include #include #include #include #include #include "MultiProbe.hxx" #include "mp_proto.hxx" BOOL MP_is_probe(char *seq); int get_random(int min, int max); //gibt eine Zufallszahl x mit der Eigenschaft : min <= x <= max void init_system3_tab(); char *glob_old_seq = NULL; int **system3_tab = NULL; static int system3_tab_size = 0; unsigned char **hamming_tab = NULL; BOOL new_pt_server = TRUE; struct Params P; long k_aus_n(int k, int n) { int a = n, b = 1, i; if (k > (n / 2)) k = n - k; if (k <= 0) return (k == 0); for (i = 2; i <= k; n--, a *= n, b *= i, i++) ; return a / b; } int get_random(int min,int max) { mp_assert(min <= max); return GB_random(max-min+1)+min; } void MP_new_sequence(AW_window *aww) { AWUSE(aww); mp_main->get_aw_root()->awar_string(MP_AWAR_SEQUENZEINGABE)->write_string(""); delete glob_old_seq; glob_old_seq = NULL; char *res = aw_input2awar("Enter target sequence", MP_AWAR_SEQUENZEINGABE); free(res); MP_take_manual_sequence(aww); } void MP_close_main(AW_window *aww) { AWT_canvas *ntw = mp_main->get_ntw(); if (mp_main->get_mp_window()->get_result_window()) mp_main->get_mp_window()->get_result_window()->hide(); GB_transaction dummy(ntw->gb_main); AP_tree *ap_tree = AWT_TREE(ntw)->tree_root; if (ap_tree) ap_tree->calc_color(); if (ntw->gb_main) ntw->tree_disp->update(ntw->gb_main); ntw->refresh(); AW_POPDOWN(aww); delete mp_main->get_p_eval(); mp_main->set_p_eval(NULL); delete mp_main->get_stc(); mp_main->set_stc(NULL); delete glob_old_seq; glob_old_seq = NULL; new_pt_server = TRUE; } void MP_gen_quality(AW_root *awr,AW_CL cd1,AW_CL cd2) { BOOL firsttime = TRUE; AWUSE(cd1); AWUSE(cd2); if (firsttime) { firsttime = FALSE; return; } char *probe, *new_qual, *ecol_pos; char *selected = awr->awar(MP_AWAR_SELECTEDPROBES)->read_string(); AW_window *aww= mp_main->get_mp_window()->get_window(); if (!selected || !selected[0]) return; probe = MP_get_probes(selected); if (!probe || !probe[0]) return; ecol_pos = MP_get_comment(3,selected); aww->delete_selection_from_list( selected_list, selected); new_qual = new char[5 + 7 + strlen(probe)]; //5 = Zahl und Separator und Zahl und Separator und Nullzeichen sprintf(new_qual,"%1ld#%1ld#%6d#%s",mp_gl_awars.probe_quality,mp_gl_awars.singlemismatches,atoi(ecol_pos),probe); delete probe; aww->insert_selection( selected_list, new_qual, new_qual ); aww->insert_default_selection( selected_list, "", "" ); aww->sort_selection_list( selected_list, 0, 1); aww->update_selection_list( selected_list ); awr->awar(MP_AWAR_SELECTEDPROBES)->write_string(new_qual); delete new_qual; delete ecol_pos; } void MP_modify_selected(AW_root *awr,AW_CL cd1,AW_CL cd2) //setzt den 2.Parameter in selected_list { char *com1, *com2, *com3, *probes, *ptr2, temp[120]; AW_window *aww = mp_main->get_mp_window()->get_window(); List *l = new List; AWUSE(cd1); AWUSE(cd2); aww->init_list_entry_iterator(selected_list); //initialisieren while ((ptr2 = (char *)aww->get_list_entry_char_value())) { aww->iterate_list_entry(1); com1 = MP_get_comment(1,ptr2); com2 = MP_get_comment(2,ptr2); com3 = MP_get_comment(3,ptr2); probes =MP_get_probes(ptr2); if (!probes || !probes[0]) break; sprintf(temp,"%1d#%1ld#%6d#%s",atoi(com1), mp_gl_awars.no_of_mismatches, atoi(com3), probes); l->insert_as_last(strdup(temp)); delete probes; delete com1; delete com2; delete com3; } aww->clear_selection_list( selected_list ); ptr2 = l->get_first(); while (ptr2) { l->remove_first(); aww->insert_selection( selected_list, ptr2, ptr2 ); delete ptr2; ptr2 = l->get_first(); } aww->insert_default_selection( selected_list, "", "" ); aww->sort_selection_list( selected_list, 0, 1); aww->update_selection_list( selected_list ); awr->awar(MP_AWAR_SELECTEDPROBES)->write_string(""); remembered_mismatches = mp_gl_awars.no_of_mismatches; delete l; } void MP_gen_singleprobe(AW_root *awr,AW_CL cd1,AW_CL cd2) { AWUSE(cd1); AWUSE(cd2); char *probe, *new_sing; char *selected = awr->awar(MP_AWAR_SELECTEDPROBES)->read_string(); AW_window *aww= mp_main->get_mp_window()->get_window(); if (!selected || !selected[0]) return; probe = MP_get_probes(selected); aww->delete_selection_from_list( selected_list, selected); new_sing = new char[5 + 7 + strlen(probe)]; //5 = Zahl und Separator und Zahl und Separator und Nullzeichen sprintf(new_sing,"%1ld#%1ld#%6ld#%s",mp_gl_awars.probe_quality,mp_gl_awars.singlemismatches, mp_gl_awars.ecolipos,probe); delete probe; aww->insert_selection( selected_list, new_sing, new_sing ); aww->insert_default_selection( selected_list, "", "" ); aww->sort_selection_list( selected_list, 0, 1); aww->update_selection_list( selected_list ); awr->awar(MP_AWAR_SELECTEDPROBES)->write_string(new_sing); delete new_sing; } void MP_popup_result_window(AW_window *aww) { AWUSE(aww); mp_main->get_mp_window()->create_result_window(mp_main->get_aw_root())->activate(); init_system3_tab(); } BOOL check_status(int gen_cnt, double avg_fit, double min_fit, double max_fit) { char view_text[150]; if (gen_cnt == 0) sprintf(view_text,"Evaluating first generation"); else sprintf(view_text,"Gen:%d Avg:%5i Min:%5i Max:%5i",gen_cnt,int(avg_fit),int(min_fit),int(max_fit)); if (aw_status(view_text) == 1) { aw_closestatus(); return FALSE; //Berechnungen abbrechen !!!!!! } return TRUE; } void init_system3_tab() { int i, j, k, size_hamming_tab, hamm_dist; int **dummy_int; int counter, wert; if (system3_tab) { for (j=0; j< system3_tab_size; j++) delete [] system3_tab[j]; delete [] system3_tab; } system3_tab = new int*[mp_gl_awars.no_of_probes]; system3_tab_size = mp_gl_awars.no_of_probes; for (j=0; jget_aw_root(); AW_window *aww2; int i = 0; int *bew_array; char *ptr, *ptr2, *qual; char **probe_field; int *single_mismatch; ProbeValuation *p_eval = NULL; if (aww->get_no_of_entries( selected_list )-1 < mp_gl_awars.no_of_probes) { aw_message("Not enough probes selected for computation !!!"); return; } if (mp_main->get_stc()) { delete mp_main->get_stc(); mp_main->set_stc(NULL); new_pt_server = TRUE; } init_system3_tab(); aww2 = mp_main->get_mp_window()->create_result_window(aw_root); aww2->clear_selection_list( result_probes_list ); aww2->insert_default_selection( result_probes_list, "", ""); aww2->update_selection_list( result_probes_list); aww->init_list_entry_iterator(selected_list); //initialisieren probe_field = new char*[aww->get_no_of_entries(selected_list)-1]; //-1 wegen default entry bew_array = new int[aww->get_no_of_entries(selected_list)-1]; single_mismatch = new int[aww->get_no_of_entries(selected_list)-1]; aw_openstatus("Computing multiprobes"); while ((ptr2 = (char *)aww->get_list_entry_char_value())) { aww->iterate_list_entry(1); ptr = MP_get_probes(ptr2); //hier sind es einfachsonden if (ptr && ptr[0] != ' ' && ptr[0] != '\t' && ptr[0] != '\0') { qual = MP_get_comment(1,ptr2); bew_array[i] = atoi(qual); free(qual); qual = MP_get_comment(2,ptr2); single_mismatch[i] = atoi(qual); //single mismatch kann zwar eingestellt werden, aber wird noch nicht uebergeben free(qual); probe_field[i++] = ptr; } } p_eval = mp_main->new_probe_eval(probe_field,i,bew_array, single_mismatch); p_eval->init_valuation(); if (pt_server_different) { pt_server_different = FALSE; aw_message("There are species in the tree which are\nnot included in the PT-Server"); } mp_main->destroy_probe_eval(); aw_closestatus(); aww2->activate(); } void MP_take_manual_sequence(AW_window *aww) { AW_window_simple *aws = mp_main->get_mp_window()->get_window(); char *seq = mp_gl_awars.manual_sequence, *new_seq; AWUSE(aww); if (! MP_is_probe(seq)){ aw_message("This is not a valid probe !!!"); return; } if (glob_old_seq){ aww->delete_selection_from_list( selected_list, glob_old_seq ); } new_seq = new char[strlen(seq)+5+7]; sprintf(new_seq,"%1ld#%1ld#%6d#%s",mp_gl_awars.probe_quality,mp_gl_awars.singlemismatches,0,seq); aws->insert_selection( selected_list,new_seq,new_seq ); aws->insert_default_selection(selected_list, "", ""); aws->sort_selection_list( selected_list, 0, 1); aws->update_selection_list( selected_list ); mp_main->get_aw_root()->awar(MP_AWAR_SEQUENZEINGABE)->write_string(""); mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->write_string(new_seq); delete new_seq; } void MP_cache_sonden(AW_window *) { new_pt_server = TRUE; } void MP_cache_sonden2(AW_root *) { new_pt_server = TRUE; } void MP_show_probes_in_tree_move(AW_window *aww, AW_CL cl_backward, AW_CL cl_result_probes_list) { bool backward = bool(cl_backward); AW_selection_list *resultProbesList = (AW_selection_list*)cl_result_probes_list; // aw_message(GBS_global_string("backward='%i'", int(backward))); // aww->move_selection(resultProbesList, mp_main->get_aw_root()->awar(MP_AWAR_RESULTPROBES), backward ? -1 : 1); aww->move_selection(resultProbesList, MP_AWAR_RESULTPROBES, backward ? -1 : 1); MP_show_probes_in_tree(aww); } void MP_show_probes_in_tree(AW_window *aww) { AWT_canvas *ntw = mp_main->get_ntw(); char *mism, *mism_temp; char *a_probe, *another_probe, *the_probe, *mism_temp2; int i, how_many_probes = 0; AWUSE(aww); { char *sel = mp_main->get_aw_root()->awar(MP_AWAR_RESULTPROBES)->read_string(); a_probe = MP_get_probes(sel); //haelt jetzt Sondenstring if (! a_probe || ! a_probe[0]) { free(a_probe); free(sel); return; } mism_temp2 = MP_get_comment(2,sel); mism_temp = mism_temp2; free(sel); } char **probe_field = new char*[MAXMISMATCHES]; int *mismatches = new int[MAXMISMATCHES]; for (i=0; iget_stc()) delete mp_main->get_stc(); mp_main->set_stc(new ST_Container(MAXSONDENHASHSIZE)); if (pt_server_different) { mp_main->set_stc(NULL); new_pt_server = TRUE; aw_message("There are species in the tree which are\nnot included in the PT-Server"); pt_server_different = FALSE; return; } } delete mp_main->get_stc()->sondentopf; mp_main->get_stc()->sondentopf = new Sondentopf(mp_main->get_stc()->Bakterienliste,mp_main->get_stc()->Auswahlliste ); for (i=0; iget_stc()->sondentopf->put_Sonde(probe_field[i],mismatches[i], mismatches[i] + mp_gl_awars.outside_mismatches_difference); } } mp_main->get_stc()->sondentopf->gen_color_hash(mp_gl_awars.no_of_probes); GB_transaction dummy(ntw->gb_main); AWT_TREE(ntw)->tree_root->calc_color_probes(mp_main->get_stc()->sondentopf->get_color_hash()); if (ntw->gb_main) ntw->tree_disp->update(ntw->gb_main); ntw->refresh(); for (i=0; iget_ntw(); char *mism, *mism_temp; char *a_probe, *another_probe, *the_probe, *mism_temp2; int i, how_many_probes = 0; GBDATA *gb_species; AWUSE(aww); { char *sel = mp_main->get_aw_root()->awar(MP_AWAR_RESULTPROBES)->read_string(); a_probe = MP_get_probes(sel); //haelt jetzt Sondenstring if (! a_probe || ! a_probe[0]) { free(a_probe); free(sel); return; } mism_temp2 = MP_get_comment(2,sel); mism_temp = mism_temp2; } char **probe_field = new char*[MAXMISMATCHES]; int *mismatches = new int[MAXMISMATCHES]; for (i=0; iget_stc()) delete mp_main->get_stc(); mp_main->set_stc(new ST_Container(MAXSONDENHASHSIZE)); if (pt_server_different) { mp_main->set_stc(NULL); new_pt_server = TRUE; aw_message("There are species in the tree which are\nnot included in the PT-Server"); pt_server_different = FALSE; return; } } delete mp_main->get_stc()->sondentopf; mp_main->get_stc()->sondentopf = new Sondentopf(mp_main->get_stc()->Bakterienliste,mp_main->get_stc()->Auswahlliste ); for (i=0; iget_stc()->sondentopf->put_Sonde(probe_field[i],mismatches[i], mismatches[i] + mp_gl_awars.outside_mismatches_difference); } } mp_main->get_stc()->sondentopf->gen_color_hash(mp_gl_awars.no_of_probes); { GB_push_transaction(ntw->gb_main); GB_HASH *col_hash = mp_main->get_stc()->sondentopf->get_color_hash(); for (gb_species = GBT_first_species(ntw->gb_main); gb_species; gb_species = GBT_next_species(gb_species)) { GB_write_flag(gb_species, GBS_read_hash(col_hash, GBT_read_name(gb_species)) > AWT_GC_BLACK); } } GB_pop_transaction(ntw->gb_main); GB_transaction dummy(ntw->gb_main); if (ntw->gb_main) ntw->tree_disp->update(ntw->gb_main); ntw->refresh(); for (i=0; iget_aw_root(); char *aw_str = awr->awar(MP_AWAR_RESULTPROBESCOMMENT)->read_string(); char *aw_str2 = awr->awar(MP_AWAR_RESULTPROBES)->read_string(); char *comment = ((char *) com) ? (char *) com : aw_str ; char *new_val; char *misms; char spaces[21]; int len_spaces = 0; char *ecol; const char *successor_value = aww->get_element_of_index(result_probes_list, aww->get_index_of_element(result_probes_list, aw_str2)+1); // remove all '#' from new comment for (char *aw_str3 = aw_str; aw_str3[0]; ++aw_str3) { if (aw_str3[0] == SEPARATOR[0]) { aw_str3[0] = '|'; } } new_val = MP_get_probes(aw_str2); if (!new_val || !new_val[0]) { delete new_val; return; } misms = MP_get_comment(2,aw_str2); ecol = MP_get_comment(3,aw_str2); spaces[0] = 0; len_spaces = (strlen(comment) > 20) ? 20 : strlen(comment); for (int i=0; i< 20 - len_spaces; i++) strcat(spaces, " "); new_list_string = new char[21+strlen(aw_str2)+2*strlen(SEPARATOR)+1+strlen(ecol)+1]; //1 fuer 0-Zeichen sprintf(new_list_string,"%.20s%s%s%s%s%s%s%s",comment,spaces,SEPARATOR,misms,SEPARATOR,ecol,SEPARATOR,new_val); delete new_val; delete misms; delete ecol; aww->delete_selection_from_list( result_probes_list, aw_str2 ); aww->insert_selection( result_probes_list, new_list_string, new_list_string ); aww->update_selection_list( result_probes_list ); if (awr->awar(MP_AWAR_AUTOADVANCE)->read_int() && successor_value) { awr->awar(MP_AWAR_RESULTPROBES)->write_string(successor_value); } else { awr->awar(MP_AWAR_RESULTPROBES)->write_string(new_list_string); } delete new_list_string; } void MP_leftright(AW_window *aww) { char *sel = mp_main->get_aw_root()->awar(MP_AWAR_PROBELIST)->read_string(); if (!sel || !sel[0]) return; aww->insert_selection( selected_list, sel, sel ); aww->delete_selection_from_list( probelist, sel); aww->insert_default_selection( probelist, "", "" ); mp_main->get_aw_root()->awar(MP_AWAR_PROBELIST)->write_string(""); aww->sort_selection_list( selected_list, 0, 1); aww->update_selection_list( selected_list ); aww->update_selection_list( probelist ); } void MP_rightleft(AW_window *aww) // von rechts nach links { char *sel = mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->read_string(); if (!sel || !sel[0]) return; aww->insert_selection( probelist, sel, sel ); aww->delete_selection_from_list( selected_list, sel); aww->insert_default_selection( selected_list, "", "" ); mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->write_string(""); aww->update_selection_list( selected_list ); aww->sort_selection_list( probelist, 0, 1); aww->update_selection_list( probelist ); } BOOL MP_is_probe(char *seq) { BOOL result=TRUE; char *s, *seq2; if (! seq) return FALSE; seq2 = MP_get_probes(seq); if (!seq2 || ! seq2[0]) return FALSE; s = seq2; while (*s && result) { result = result && MP_probe_tab[(unsigned char)*s]; s++; } free(seq2); return result; } void MP_selected_chosen(AW_window *aww) { char *selected = mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->read_string(); char *probe; AWUSE(aww); if (!selected || !selected[0]) return; glob_old_seq = strdup(selected); probe = MP_get_comment(3,selected); mp_main->get_aw_root()->awar(MP_AWAR_ECOLIPOS)->write_int(atoi(probe)); free(probe); probe = MP_get_comment(1,selected); mp_main->get_aw_root()->awar(MP_AWAR_QUALITY)->write_int(atoi(probe)); free(probe); probe = MP_get_comment(2,selected); mp_main->get_aw_root()->awar(MP_AWAR_SINGLEMISMATCHES)->write_int(atoi(probe)); free(probe); probe = MP_get_probes(selected); mp_main->get_aw_root()->awar_string(MP_AWAR_SEQUENZEINGABE)->write_string(MP_get_probes(probe)); free(probe); } void MP_group_all_except_marked(AW_window */*aww*/) { AWT_canvas *ntw = mp_main->get_ntw(); NT_group_not_marked_cb(0, ntw); } void MP_normal_colors_in_tree(AW_window *aww) { AWT_canvas *ntw = mp_main->get_ntw(); AWUSE(aww); GB_transaction dummy(ntw->gb_main); AWT_TREE(ntw)->tree_root->calc_color(); if (ntw->gb_main) ntw->tree_disp->update(ntw->gb_main); ntw->refresh(); } void MP_all_right(AW_window *aww) { aww->conc_list( probelist, selected_list ); mp_main->get_aw_root()->awar(MP_AWAR_PROBELIST)->write_string(""); aww->sort_selection_list( selected_list, 0, 1); aww->update_selection_list( selected_list ); aww->update_selection_list( probelist ); } void MP_del_all_sel_probes(AW_window *aww) { mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->write_string(""); aww->clear_selection_list( selected_list ); aww->insert_default_selection( selected_list, "", "" ); aww->update_selection_list( selected_list ); } void MP_del_all_probes(AW_window *aww) { mp_main->get_aw_root()->awar(MP_AWAR_PROBELIST)->write_string(""); aww->clear_selection_list( probelist ); aww->insert_default_selection( probelist, "", "" ); aww->update_selection_list( probelist ); } void MP_del_all_result(AW_window *aww) { mp_main->get_aw_root()->awar(MP_AWAR_RESULTPROBES)->write_string(""); aww->clear_selection_list( result_probes_list ); aww->insert_default_selection( result_probes_list, "", "" ); aww->update_selection_list( result_probes_list ); } void MP_del_sel_result(AW_window *aww) { char *val = mp_main->get_aw_root()->awar(MP_AWAR_RESULTPROBES)->read_string(); aww->delete_selection_from_list( result_probes_list, val); aww->insert_default_selection( result_probes_list, "", "" ); mp_main->get_aw_root()->awar(MP_AWAR_RESULTPROBES)->write_string(""); aww->update_selection_list( result_probes_list ); } void MP_del_sel_probes(AW_window *aww) { char *val = mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->read_string(); aww->delete_selection_from_list( selected_list, val); aww->insert_default_selection( selected_list, "", "" ); mp_main->get_aw_root()->awar(MP_AWAR_SELECTEDPROBES)->write_string(""); aww->update_selection_list( selected_list ); } void MP_del_probes(AW_window *aww) { char *val = mp_main->get_aw_root()->awar(MP_AWAR_PROBELIST)->read_string(); aww->delete_selection_from_list( probelist, val); aww->insert_default_selection( probelist, "", "" ); mp_main->get_aw_root()->awar(MP_AWAR_PROBELIST)->write_string(""); aww->update_selection_list( probelist ); } char *MP_get_comment(int which, char *str) //faengt bei eins an { char *result, *first; char *ret_res; int i; result = first = str; result = strchr(result,'#'); for (i=1; iget_aw_root(); char *str = aw_root->awar(MP_AWAR_RESULTPROBES)->read_as_string(), *new_str; AWUSE(aww); new_str = MP_get_comment(1, str); aw_root->awar(MP_AWAR_RESULTPROBESCOMMENT)->write_string(new_str); free(str); free(new_str); } // // functions concerning the server // int MP_init_local_com_struct() { const char *user = GB_getenvUSER(); if( aisc_create(mp_pd_gl.link, PT_MAIN, mp_pd_gl.com, MAIN_LOCS, PT_LOCS, &mp_pd_gl.locs, LOCS_USER, user, NULL)){ return 1; } return 0; } const char *MP_probe_pt_look_for_server() { char choice[256]; sprintf(choice,"ARB_PT_SERVER%ld",mp_gl_awars.ptserver); #if defined(DEVEL_RALF) #warning use GBS_ptserver_id_to_choice here ? #endif // DEVEL_RALF GB_ERROR error; error = arb_look_and_start_server(AISC_MAGIC_NUMBER,choice,0); if (error) { aw_message((char *)error); return 0; } return GBS_read_arb_tcp(choice); } int MP_probe_design_send_data(T_PT_PDC pdc) { if (aisc_put(mp_pd_gl.link,PT_PDC, pdc, PDC_CLIPRESULT, P.DESIGNCPLIPOUTPUT, NULL)) return 1; return 0; } ./arbsrc_9167/MULTI_PROBE/MP_permute.cxx0000644012664100000130000000752311440743000017561 0ustar arb_buildcoders#include #include #include #include #include typedef enum { bit1 = 1, bit2 = 2, bit3 = 4, bit4 = 8, bit5 = 16, bit6 = 32, bit7 = 64, bit8 = 128 } Bitpos; Bitvector::Bitvector(int bits) { int i; num_of_bits = bits; len = (bits%8) ? (bits/8+1) : (bits/8); vector = new char[len]; for (i=0;iget_num_of_bits(); lback = (lthis>lx) ? lthis : lx; Bitvector* back = new Bitvector(lback); for (i=0 ;ireadbit(i) || x->readbit(i) ) back->setbit (i); return back; } int Bitvector::subset(Bitvector* Obermenge) { char* vector2 = Obermenge->get_vector(); for (int i=0; i-1 ; i--) { vector[i] = vector[i] <<1; if (readbit(8*i-1)) setbit(8*i); } if (gemerkt == 1) setbit(0); } void Bitvector::print() { int i; printf("Bitvektor: ("); for (i=0;i num_of_bits) return -1; byte = pos/8; idx = pos - byte*8; bitcode = (int) pow(2,idx); vector[byte] = vector[byte] | bitcode; return 0; } int Bitvector::delbit(int pos) { int byte,idx,bitcode; if (pos > num_of_bits) return -1; byte = pos/8; idx = pos - byte*8; bitcode = (int) pow(2,idx); if (readbit(pos)) vector[byte] = vector[byte] ^ bitcode; return 0; } int Bitvector::readbit(int pos) { int byte,idx,bitcode; if (pos > num_of_bits) return 0; byte = pos/8; idx = pos - byte*8; bitcode = (int) pow(2,idx); if (vector[byte] & bitcode) return 1; else return 0; } void permutation(int k,int n) { int h,i,j; int c[1000]; c[0] = -1; for ( i=1; isetbit(2); a->setbit(3); a->setbit(4); a->print(); b->setbit(6); b->setbit(7); b->setbit(12); b->setbit(14); b->print(); if (b->subset(a)) printf("B ist subset von a\n"); else printf("B ist kein subset von a\n"); c->setbit(3); c->setbit(4); c->setbit(5); c->print(); if (c->subset(a)) printf("C ist subset von a\n"); else printf("C ist kein subset von a\n"); printf("Rightshift von A:\n"); a->rshift(); a->print(); if (c->subset(a)) printf("C ist subset von a\n"); else printf("C ist kein subset von a\n"); c = b->merge(a); c->print(); delete a; delete b; delete c; } */ ./arbsrc_9167/MULTI_PROBE/MP_probe_combi_statistic.cxx0000644012664100000130000002543011440743000022444 0ustar arb_buildcoders#include #include #include extern double MAXMARKEDFACTOR; extern double MINUNMARKEDFACTOR; extern double SUMMARKEDFACTOR; extern double SUMUNMARKEDFACTOR; probe_combi_statistic::probe_combi_statistic(probe **pc, probe_tabs *ps, double exp, double fit, int life_cnt) { memset( this, 0, sizeof( probe_combi_statistic ) ); if (ps) probe_tab = ps; else probe_tab = NULL; //new probe_tabs; probe_combi = new probe*[mp_gl_awars.no_of_probes]; if (pc) { for (int i=0; i < mp_gl_awars.no_of_probes; i++) probe_combi[i] = pc[i]; } else memset(probe_combi, 0, mp_gl_awars.no_of_probes * sizeof(probe*)); expected_children = exp; fitness = fit; life_counter = life_cnt; } probe_combi_statistic::~probe_combi_statistic() { delete [] probe_combi; delete probe_tab; } BOOL probe_combi_statistic::ok_for_next_gen(int &len_roul_wheel) { double exp_child = get_expected_children(); if (exp_child >= 1.0 || get_random(1, 100) <= 100 * exp_child) //Behandlung nach Goldberg S.115 bzw. S.121 { if (!is_dead()) return TRUE; else { len_roul_wheel -= (int) (MULTROULETTEFACTOR * get_expected_children()); expected_children = 0.0; } } return FALSE; } void probe_combi_statistic::init_life_counter() { life_counter = MAXLIFEFORCOMBI; } void probe_combi_statistic::sort(long feld_laenge) { if (!feld_laenge) return; quicksort(0, feld_laenge-1); } inline void probe_combi_statistic::swap(probe **a, probe **b) { probe *help; help = *a; *a = *b; *b = help; } void probe_combi_statistic::quicksort(long left, long right) //Randomized Quicksort !!! wegen effizienz { // Fuer den Fall, dass Feld sortiert !!! long i = left, j = right; int x, help, help2; if (j>i) { help = (left + right) / 2; // Randomisierung des Quicksort Anfang // Falls keine Randomisierung erwuenscht, einfach diesen Teil auskommentieren !!! help2 = get_random(left, right); swap( & probe_combi[help2], & probe_combi[help]); // Randomisierung des Quicksort Ende x = probe_combi[help]->probe_index; // Normale Auswahl des Pivotelements do { while (probe_combi[i]->probe_index < x) i++; while (probe_combi[j]->probe_index > x) j--; if (i<=j) { swap ( & probe_combi[i], & probe_combi[j] ); i++; j--; } } while (i<=j); quicksort(left, j); quicksort(i, right); } } probe_combi_statistic *probe_combi_statistic::check_duplicates(GenerationDuplicates *dup_tree) { BOOL result = TRUE; sort(mp_gl_awars.no_of_probes); if (get_dupl_pos() == -1) return this; if (dup_tree) //d.h. dass feld this nur einmal in der Generation vorkommen darf if (dup_tree->insert(this, result, mp_gl_awars.no_of_probes)) return this; return NULL; } void probe_combi_statistic::print(probe *p) { // printf("Eine Sonde entspricht : "); printf("Idx:%d alMis:%d ",p->probe_index, p->allowed_mismatches); } void probe_combi_statistic::print() { for (int i=0; iprint(); } void probe_combi_statistic::print(probe **arr, int length) { for (int i=0; i 0) result = (double)MULTROULETTEFACTOR * val; else result = (double)MULTROULETTEFACTOR * expected_children; expected_children -= val; if (expected_children < 0) expected_children = 0; return (int) result; } probe_combi_statistic *probe_combi_statistic::duplicate() { probe_tabs *new_obje = NULL; if (probe_tab) new_obje = probe_tab->duplicate(); return new probe_combi_statistic(probe_combi, new_obje,expected_children, fitness, life_counter); } void probe_combi_statistic::mutate_Probe() { int rand_pool_pos; // Stelle, an der die Sonde im Pool liegt ( von 0 bis laenge-) for (int i=0; iget_p_eval()->get_pool_length() - 1); probe_combi[i] = (mp_main->get_p_eval()->get_probe_pool())[rand_pool_pos]; } } while (!check_duplicates()) // Solange wie in der Sondenkombination noch Duplikate vorhanden sind // muessen diese entfernt werden. { rand_pool_pos = get_random(0, mp_main->get_p_eval()->get_pool_length() - 1); probe_combi[get_dupl_pos()] = (mp_main->get_p_eval()->get_probe_pool())[rand_pool_pos]; } } int probe_combi_statistic::get_dupl_pos() { int length = mp_gl_awars.no_of_probes; for (int i=0; iprobe_index == probe_combi[i+1]->probe_index) return i; return -1; } void probe_combi_statistic::sigma_truncation(double average_fit, double deviation) // vor allem dafuer gedacht, dass wenn wenige schlecht und { // sehr viele gute vorhanden sind, dann werden die schlechten // 'herausskaliert' fitness = (fitness - average_fit) + ((double)SIGMATRUNCATION_CONST * deviation); if (fitness < 0) fitness = 0; } void probe_combi_statistic::crossover_Probes(probe_combi_statistic *pcombi2) // An bis zu no_of_probes werden Gene zwischen pcombi1 // und pcombi2 ausgetauscht. { int rand_cross_pos1, // Position an der der Crossover aufgefuehrt wird. rand_cross_pos2, rand_no_of_cross, // Anzahl der Austauschaktionen. (mind. 1) random_intervall = mp_gl_awars.no_of_probes - 1; probe_combi_statistic *f1, *f2; rand_no_of_cross = random_intervall ? get_random(1, random_intervall) : 0; for (int i = 0; i < rand_no_of_cross; i++) //eigentliche Crossover Schleife { rand_cross_pos1 = get_random(0, random_intervall); rand_cross_pos2 = get_random(0, random_intervall); swap( & probe_combi[rand_cross_pos1], & pcombi2->probe_combi[rand_cross_pos2]); swap( & probe_combi[rand_cross_pos1], & probe_combi[random_intervall] ); //um keine Listen zu verwenden swap( & pcombi2->probe_combi[rand_cross_pos2], & pcombi2->probe_combi[random_intervall] ); //wird im Array getauscht random_intervall--; } while (TRUE) //Crossovernachbehandlung, um duplikate in Kombinationen zu vermeiden { int change1, change2; f1 = check_duplicates(); f2 = pcombi2->check_duplicates(); if (f1 && f2 ) break; if (f1) //in f1 kein Duplikat change1 = get_random(0,mp_gl_awars.no_of_probes - 1); else change1 = get_dupl_pos(); if (f2) //in f2 kein Duplikat change2 = get_random(0,mp_gl_awars.no_of_probes - 1); else change2 = pcombi2->get_dupl_pos(); swap( & probe_combi[change1], & pcombi2->probe_combi[change2]); //worst case = die Felder sehen genauso aus, wie vor //dem Crossover } init_stats(); pcombi2->init_stats(); } void probe_combi_statistic::init_stats() { memset(&probe_tab, 0, sizeof(probe_tabs)); // bisherige Statistiken fuer diese Sondenkombination zuruecksetzten life_counter = MAXLIFEFORCOMBI; fitness = 0; expected_children = 0; } int probe_combi_statistic::calc_index_system3(int *field) { int i, result = 0; for (i=0; iget_stc()->Bakterienliste, mp_main->get_stc()->Auswahlliste); for (i=0; iput_Sonde((mp_main->get_p_eval()->get_sondenarray())[probe_combi[i]->probe_index], probe_combi[i]->allowed_mismatches, probe_combi[i]->allowed_mismatches + mp_gl_awars.outside_mismatches_difference); probe_tab = sondentopf->fill_Stat_Arrays(); delete sondentopf; fitness = 0.0; hammingarray = new long[mp_gl_awars.no_of_probes+1]; for (i=0; i< probe_tab->get_len_group_tabs()-1; i++) { memset(hammingarray, 0 , sizeof(long) * (mp_gl_awars.no_of_probes + 1)); for (j=0; jget_len_group_tabs(); j++) { mod_ham_dist = modificated_hamming_dist(i, j); hammingarray[mod_ham_dist] += probe_tab->get_non_group_tab(j); } tolerated_non_group_hits = (double) mp_gl_awars.qualityborder_best; for (k=0; k < mp_gl_awars.no_of_probes + 1 && tolerated_non_group_hits >= 0.0; k++) { for (j=0; j= 0.0; j++) { tolerated_non_group_hits -= (double) ((double)hammingarray[k] / (double)FITNESSSCALEFACTOR); } } if (tolerated_non_group_hits<0.0) { if (j) ham_dist = (double)k - 1.0 + ((double)(((double)j - 1.0)/(double)FITNESSSCALEFACTOR)); else ham_dist = (double)k - 1.0; } else if(tolerated_non_group_hits > 0.0) ham_dist = (double) mp_gl_awars.no_of_probes; else ham_dist = 0.0; fitness += ham_dist * ((double) probe_tab->get_group_tab(i)); } delete [] hammingarray; return fitness; } double probe_combi_statistic::calc_expected_children(double average_fitness) { expected_children = fitness / average_fitness; return expected_children; } ./arbsrc_9167/MULTI_PROBE/MP_probe.cxx0000644012664100000130000002242411440743000017204 0ustar arb_buildcoders#include #include #include #include #include #include extern BOOL check_status(int gen_cnt, double avg_fit, double min_fit, double max_fit); extern char *MP_get_comment(int which, char *str); void ProbeValuation::evolution() { long n=0; long moeglichkeiten; double avg_fit = 0; for (int i=0; icalc_fitness(NO_GENETIC_ALG); act_generation->check_for_results(); return; } check_status(0, 0.0, 0.0, 0.0); // hier beginnt der genetische Algorithmus do { act_generation->calc_fitness(0, avg_fit); // hier wird auch init_roulette_wheel gemacht avg_fit = act_generation->get_avg_fit(); if (avg_fit == 0 && !Stop_evaluation) { aw_message("Please choose better Probes!"); return; } if (Stop_evaluation) //Abgebrochen durch Benutzer { Stop_evaluation = FALSE; act_generation->check_for_results(); return; } child_generation = act_generation->create_next_generation(); delete act_generation; act_generation = NULL; child_generation->check_for_results(); act_generation = child_generation; // zum testen hier nur generierung einer Generation } while (moeglichkeiten/3 > act_generation->get_generation() * MAXPOPULATION); //hier abbruchbedingung //Abbruchbedingung deshalb, weil der genetische Alg. keinesfalls mehr Versuche // benoetigt als sequentielles probieren. Hier: Annahme, dass er max. // ein drittel der Versuche benoetigt if (act_generation) act_generation->check_for_results(); } void ProbeValuation::insert_in_result_list(probe_combi_statistic *pcs) //pcs darf nur eingetragen werden, wenn es nicht schon vorhanden ist { char *new_list_string, *misms, *probe_string, temp_misms[3]; int probe_len = 0; char buf[25]; char ecoli_pos[40],temp_ecol[10]; int buf_len, i; result_struct *rs = new result_struct, *elem; AW_window *aww = mp_main->get_mp_window()->get_result_window(); memset(rs, 0, sizeof(result_struct)); memset(ecoli_pos,0, 40); for (i=0; iget_probe_combi(i)->probe_index]) + 1; //1 fuer space bzw. 0-Zeichen misms = new char[2*mp_gl_awars.no_of_probes+1]; probe_string = new char[probe_len+1]; probe_string[0] = misms[0] = 0; for (i=0; i0) { strcat(misms," "); strcat(probe_string," "); } sprintf(temp_misms,"%1d",pcs->get_probe_combi(i)->allowed_mismatches); strcat(misms, temp_misms); sprintf(temp_ecol,"%6d ",pcs->get_probe_combi(i)->e_coli_pos); strcat(ecoli_pos,temp_ecol); strcat(probe_string, sondenarray[pcs->get_probe_combi(i)->probe_index]); } ecoli_pos[strlen(ecoli_pos)-1] = 0; new_list_string = new char[21+ probe_len+ 2*mp_gl_awars.no_of_probes+2+ 2*strlen(SEPARATOR)+ strlen(ecoli_pos)+ 1]; //1 fuer 0-Zeichen sprintf(buf,"%f",pcs->get_fitness()); buf_len= strlen(buf); for(i=0;i<20-buf_len;i++) strcat(buf," "); sprintf(new_list_string,"%20s%s%s%s%s%s%s",buf,SEPARATOR,misms,SEPARATOR,ecoli_pos,SEPARATOR,probe_string); delete [] misms; delete [] probe_string; rs->ps = pcs->duplicate(); rs->view_string = new_list_string; elem = computation_result_list->get_first(); if (! elem) computation_result_list->insert_as_first(rs); else { while (elem) //Liste ist sortiert von groesster Fitness bis kleinster Fitness { if (strcmp(elem->view_string, new_list_string) == 0) { delete new_list_string; delete rs->ps; delete rs; return; } if (pcs->get_fitness() > elem->ps->get_fitness()) { computation_result_list->insert_before_current(rs); break; } elem = computation_result_list->get_next(); } if (!elem) computation_result_list->insert_as_last(rs); } aww->clear_selection_list( result_probes_list ); elem = computation_result_list->get_first(); while (elem) { aww->insert_selection( result_probes_list, elem->view_string, elem->view_string ); elem = computation_result_list->get_next(); } aww->insert_default_selection( result_probes_list, "", ""); aww->update_selection_list( result_probes_list ); } void ProbeValuation::init_valuation() { int i, j, k, counter=0; probe *temp_probe; ST_Container *stc; AW_window *aww; char *ptr, *ptr2; if (new_pt_server) { new_pt_server = FALSE; if (mp_main->get_stc()) delete mp_main->get_stc(); aw_status("Starting computation"); mp_main->set_stc(new ST_Container(MAXSONDENHASHSIZE)); } if (pt_server_different) { mp_main->set_stc(NULL); new_pt_server = TRUE; return; } stc = mp_main->get_stc(); aww = mp_main->get_mp_window()->get_window(); aww->init_list_entry_iterator(selected_list); //initialisieren if (max_init_pop_combis < MAXINITPOPULATION) { for (i=0; iget_list_entry_char_value(); aww->iterate_list_entry(1); for(j=0; j<=mismatch_array[i]; j++) // generiert werden koennen. { temp_probe = new probe; temp_probe->probe_index = i; temp_probe->allowed_mismatches = j; temp_probe->e_coli_pos = atoi(ptr = MP_get_comment(3,ptr2)); free(ptr); probe_pool[counter++] = temp_probe; } } pool_length = counter; } else { for (i=0; iget_list_entry_char_value(); aww->iterate_list_entry(1); for(j=0; j<=mismatch_array[i]; j++) // der Sonden schon eingearbeitet sind. DIe WS werden vom Benutzer fuer jedE { // einzelne Sonde bestimmt for (k=0; k < bewertungarray[i]; k++) { temp_probe = new probe; temp_probe->probe_index = i; temp_probe->allowed_mismatches = j; temp_probe->e_coli_pos = atoi(ptr = MP_get_comment(3,ptr2)); delete ptr; probe_pool[counter++] = temp_probe; } } } } act_generation->init_valuation(); evolution(); aww = mp_main->get_mp_window()->get_result_window(); aww->activate(); } ProbeValuation::ProbeValuation(char **sonden_array, int no_of_sonden, int *bewertung, int *mismatch) { memset(this, 0, sizeof(ProbeValuation)); sondenarray = sonden_array; bewertungarray = bewertung; size_sonden_array = no_of_sonden; mismatch_array = mismatch; computation_result_list = new List; for (int i=0; i MAXINITPOPULATION) // Ausgangspopulationsgroesse ist limitiert max_init_pop_combis = MAXINITPOPULATION; probe_pool = new probe*[pool_length]; memset(probe_pool, 0, pool_length * sizeof(probe*)); // Struktur mit 0 initialisieren. } ProbeValuation::~ProbeValuation() { int i; result_struct *elem; for (i=0; iget_first(); while (elem) { computation_result_list->remove_first(); delete [] elem->view_string; delete elem; elem = computation_result_list->get_first(); } delete computation_result_list; if (act_generation == child_generation) delete act_generation; else { delete act_generation; delete child_generation; } delete [] sondenarray; delete [] bewertungarray; delete [] mismatch_array; delete [] probe_pool; } ./arbsrc_9167/MULTI_PROBE/MP_probe.hxx0000644012664100000130000002137211440743000017212 0ustar arb_buildcoders#ifndef MP_PROBE_HXX #define MP_PROBE_HXX #ifndef MULTIPROBE_HXX #include "MultiProbe.hxx" #endif #ifndef SOTL_HXX #include "SoTl.hxx" #endif #define NO_GENETIC_ALG 1 #define MIN(x,y) (x>y) ? y : x #define MAX(x,y) (x>y) ? x : y #define MAXLIFEFORCOMBI 2 // Eine Sondenkombination lebt maximal MAXLIFEFORCOMBI Generationen class Generation; class GenerationDuplicates; class probe_statistic; class probe_combi_statistic; typedef struct { int probe_index; int allowed_mismatches; int e_coli_pos; }probe; typedef struct { probe_combi_statistic *ps; char *view_string; }result_struct; class probe_tabs { private: int *group_tab; int *non_group_tab; int length_of_group_tabs; public: int get_non_group_tab(int j) { return non_group_tab[j]; }; int get_group_tab(int j) { return group_tab[j]; }; int get_len_group_tabs() { return length_of_group_tabs; }; probe_tabs *duplicate(); void print(); probe_tabs(int *new_group_field = NULL, int *new_non_group_field = NULL, int len_group = 0); ~probe_tabs(); }; class probe_combi_statistic //die Sondenkombis werden in dieser Klasse gespeichert { private: probe **probe_combi; probe_tabs *probe_tab; double expected_children; double fitness; int life_counter; //Eine Sondenkombination hat nur eine Lebenslaenge von MAXLIFEFORCOMBI private: void quicksort(long left, long right); // Randomized Quicksort int get_dupl_pos(); // gibt Index einer Stelle zurueck, die doppelt vorkommt; field // muss sortiert sein !!! int modificated_hamming_dist(int one, int two); // pseudo hamming distanz einer Sondenkombi public: void set_probe_combi(int ind, probe *f) { probe_combi[ind] = f; }; probe *get_probe_combi(int j) { return probe_combi[j]; }; double get_fitness() { return fitness; }; double get_expected_children() { return expected_children; }; int sub_expected_children(double val); void init_stats(); void scale(double a, double b) { //printf("raw fitness : %f**\n",fitness); fitness = a * fitness + b; //printf("scaled fitness : %f**\n",fitness); //printf("*******************\n\n",fitness); }; BOOL ok_for_next_gen(int &len_roul_wheel); void sub_life_counter() { life_counter --;}; void init_life_counter(); BOOL is_dead() { return (life_counter <= 0) ? TRUE : FALSE; }; void sigma_truncation(double average_fit, double dev); // dient zur Skalierung der Fitness; um zu dominante Kombis zu vermeiden double calc_fitness(int len_of_field); // fitness-berechnung einer Sondenkombi double calc_expected_children(double average_fitness); void mutate_Probe(); // mutiert zufaellig die Sondenkombination nr_of_probe. void crossover_Probes(probe_combi_statistic *pcombi2); // realisiert den Crossover zwischen Probe1 und Probe2 void swap(probe **a, probe **b); void sort(long feld_laenge); // es wird ein randomized quicksort verwendet probe_combi_statistic *duplicate(); //dupliziert dieses Objekt (z.B. fuer naechste Generation) probe_combi_statistic *check_duplicates(GenerationDuplicates *dup_tree = NULL); // rueckgabewert ist NULL, wenn das Feld duplikate enthaelt bzw. // es wird sortiertes field zurueckgegeben. Wenn NULL zurueckkommt, dann // wurde field jedoch noch nicht deleted int calc_index_system3(int *field); void print(); void print(probe *p); void print(probe **arr, int length); probe_combi_statistic(probe **pc = NULL, probe_tabs *ps = NULL, double exp = 0, double fit = 0 , int lifec = MAXLIFEFORCOMBI); ~probe_combi_statistic(); }; class Generation { private: probe_combi_statistic **probe_combi_stat_array; // Liste von Sondenkombinationen, auf denen der genetische Algorithmus aus- // gefuehrt wird. int probe_combi_array_length; GenerationDuplicates *dup_tree; double average_fitness; double min_fit; double max_fit; double deviation; //Abweichung int len_roulette_wheel; //wichtig zur Erstellung der naechsten Generation int generation_counter; //***intern variables int last_elem; private: void prescale(double *a, double *b); //berechnet Koeffizienten fuer lineare Skalierung probe_combi_statistic *choose_combi_for_next_generation(); public: double get_avg_fit() { return average_fitness; }; int get_generation() { return generation_counter; }; GenerationDuplicates *get_dup_tree() { return dup_tree; }; void set_length() { probe_combi_array_length = last_elem; }; // nur verwenden, wenn man weiss was man tut !!!! void check_for_results(); //traegt eventuelle. resultate in Ergebnisfenster ein BOOL insert(probe_combi_statistic *pcs); //FALSE wenn Generation schon MAXPOPULATION Eintraege hat void init_valuation(); void gen_determ_combis(int beg, //wo faengt der Alg. an int len, //wieviele probes muessen noch drangehaengt werden int &pos_counter, //zaehler fuer probe_combi_stat_array probe_combi_statistic *p); //bisher zusammengestellte probe void calc_fitness(int flag = 0, double old_avg_fit = 0);// fitness-berechnung aller Sondenkombis im Feld; und average_fitness // und deviation void init_roulette_wheel(); Generation *create_next_generation(); // die Kindergeneration wird zurueckgegeben probe_combi_statistic *single_in_generation(probe_combi_statistic *field); // Nach der Funktion ist sichergestellt, dass dieses field in der //Generation nur einmal vorkommt. Achtung: wenn Population sehr klein //=> Endlosschleifengefahr ( nicht in dieser Funktion, sondern u.U. in der // aufrufenden void print(); Generation(int len, int gen_nr); ~Generation(); }; class ProbeValuation { private: char **sondenarray; int *bewertungarray; int *mismatch_array; int size_sonden_array; probe **probe_pool; // Generierung eines Pools, in dem die Wahrscheinlichkeiten fuer die Erfassung // der Sonden schon eingearbeitet sind. DIe WS werden vom Benutzer fuer jede // einzelne Sonde bestimmt. int pool_length, max_init_pop_combis; Generation *act_generation, *child_generation; List *computation_result_list; public: void set_act_gen(Generation *g) { act_generation = g; }; int get_max_init_for_gen() { return max_init_pop_combis; }; int get_pool_length() { return pool_length; }; probe **get_probe_pool() { return probe_pool; }; int get_size_sondenarray() { return size_sonden_array; }; char **get_sondenarray() { return sondenarray; }; void insert_in_result_list(probe_combi_statistic *pcs); void init_valuation(); // Zufaellige Auswahl einer Grundmenge von Sondenkombinationen void evolution(); // Evolution ProbeValuation(char **sonden_array, int no_of_sonden, int *bewertung,int *single_mismatch); ~ProbeValuation(); }; class GenerationDuplicates // Fuer eine Generation muss ueberprueft werden, ob es doppelte Sondenkombinationen { // gibt. private: int intern_size; //enthaelt size aus dem Konstruktor (size entspricht muss der groesse von sondenarray entsprechen GenerationDuplicates **next; //die laenge dieses arrays entspricht der laenge des sondenarrays in ProbeValuation int *next_mism; //zu jedem next eintrag merkt man sich wieviele Mismatche schon aufgetreten sind //laenge von next_mism ist die maximale anzahl der Mismatche public: BOOL insert(probe_combi_statistic *sondenkombi, BOOL &result, int depth = 0); //fuegt sondenkombination ein, wenn es Sie in dieser Struktur noch nicht gibt(=> TRUE). //Wenn es Sie schon gibt, dann FALSE. depth ist nur fuer interne Zwecke. GenerationDuplicates(int size); ~GenerationDuplicates(); //loescht rekursiv nach unten alles. }; #else #error MP_probe.hxx included twice #endif ./arbsrc_9167/MULTI_PROBE/MP_probe_tabs.cxx0000644012664100000130000000326111440743000020213 0ustar arb_buildcoders#include #include #include //************************************************************** void probe_tabs::print() { int i; printf("**********************\n"); printf("GRUPPENTABELLE:\n"); for (i=0; i< length_of_group_tabs; i++) printf("%d %d \n", i, group_tab[i]); printf("NON_GRUPPENTABELLE:\n"); for (i=0; i< length_of_group_tabs; i++) printf("%d %d\n", i, non_group_tab[i]); printf("**********************\n"); } probe_tabs *probe_tabs::duplicate() { int i; int *new_group_field = new int[length_of_group_tabs]; int *new_non_group_field = new int[length_of_group_tabs]; for (i=0; i< length_of_group_tabs; i++) new_group_field[i] = group_tab[i]; for (i=0; i< length_of_group_tabs; i++) new_non_group_field[i] = non_group_tab[i]; return new probe_tabs(new_group_field, new_non_group_field, length_of_group_tabs); } probe_tabs::probe_tabs(int *new_group_field, int *new_non_group_field, int len_group) { int length; memset(this,0, sizeof(probe_tabs)); if (new_group_field) // Duplicate !!! { group_tab = new_group_field; non_group_tab = new_non_group_field; length_of_group_tabs = len_group; } else { length = (int)(pow(3.0, (double)mp_gl_awars.no_of_probes)); group_tab = new int[length]; memset(group_tab, 0, sizeof(int)*length); non_group_tab = new int[length]; memset(non_group_tab, 0, sizeof(int)*length); length_of_group_tabs = length; } } probe_tabs::~probe_tabs() { delete [] group_tab; delete [] non_group_tab; } ./arbsrc_9167/MULTI_PROBE/mp_proto.hxx0000644012664100000130000000277711440743000017356 0ustar arb_buildcoders// ==================================================================== // // // // File : mp_proto.hxx // // Purpose : Provide some prototypes // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef MP_PROTO_HXX #define MP_PROTO_HXX void MP_Comment(AW_window *aww, AW_CL com); void MP_gen_quality(AW_root *awr,AW_CL cd1,AW_CL cd2); void MP_new_sequence(AW_window *aww); BOOL MP_is_probe(char *seq); void MP_cache_sonden(AW_window *aww); void MP_cache_sonden2(AW_root *aww); void MP_mark_probes_in_tree(AW_window *aww); void MP_gen_singleprobe(AW_root *awr,AW_CL cd1,AW_CL cd2); void MP_modify_selected(AW_root *awr,AW_CL cd1,AW_CL cd2); extern char *glob_old_seq; #else #error mp_proto.hxx included twice #endif // MP_PROTO_HXX ./arbsrc_9167/MULTI_PROBE/MP_sonde.cxx0000644012664100000130000002557411440743000017216 0ustar arb_buildcoders#include #include #include #include #include #include #include extern int MP_probe_design_send_data(T_PT_PDC pdc); //########################################################################### //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~Methoden Sonde ~~~~~~~~~~~~~~~~~~~~~~ Sonde::Sonde(char* bezeichner, int allowed_mis, double outside_mis) { kennung = strdup(bezeichner); bitkennung = NULL; // fuer Basissonden haben die Bitvektoren noch nicht die Volle laenge, da noch nicht bekannt ist, wieviele Sonden eingetragen werden hitliste = NULL; length_hitliste = 0; minelem = 0; maxelem = 0; int anzahl_sonden = mp_gl_awars.no_of_probes; Allowed_Mismatch = new long[anzahl_sonden]; Outside_Mismatch = new double[anzahl_sonden]; for (int i=0; iprint(); printf("Laenge hitliste %ld mit minelem %ld und maxelem %ld\n",length_hitliste,minelem, maxelem); printf("Far %ld, Mor %ld, AllMM %ld, OutMM %f\n\n",kombi_far, kombi_mor, *Allowed_Mismatch, *Outside_Mismatch); } MO_Mismatch** Sonde::get_matching_species(BOOL match_kompl, int match_weight, int match_mis, char *match_seq, MO_Liste *convert, long *number_of_species) { MO_Mismatch **ret_list = NULL; const char *servername = MP_probe_pt_look_for_server(); if (servername) { char *match_name, *match_mismatches, *match_wmismatches; char toksep[2]; T_PT_PDC pdc; T_PT_MATCHLIST match_list; char *probe = NULL; char *locs_error; long match_list_cnt; bytestring bs; int i = 0; mp_pd_gl.link = (aisc_com *)aisc_open(servername, &mp_pd_gl.com,AISC_MAGIC_NUMBER); if (!mp_pd_gl.link) { aw_message("Cannot contact Probe bank server "); return NULL; } if (MP_init_local_com_struct() ) { aw_message ("Cannot contact Probe bank server (2)"); return NULL; } aisc_create(mp_pd_gl.link,PT_LOCS, mp_pd_gl.locs,LOCS_PROBE_DESIGN_CONFIG, PT_PDC, &pdc, NULL); if (MP_probe_design_send_data(pdc)) { aw_message ("Connection to PT_SERVER lost (3)"); return NULL; } //aw_message("Running DB-query"); if (aisc_put(mp_pd_gl.link,PT_LOCS, mp_pd_gl.locs, LOCS_MATCH_REVERSED, match_kompl, // Komplement LOCS_MATCH_SORT_BY, match_weight, // Weighted LOCS_MATCH_COMPLEMENT, 0, // ??? LOCS_MATCH_MAX_MISMATCHES, match_mis, // Mismatches LOCS_MATCH_MAX_SPECIES, 100000, // ??? LOCS_SEARCHMATCH, match_seq, // Sequence NULL)){ free(probe); aw_message ("Connection to PT_SERVER lost (4)"); return NULL; } bs.data = 0; aisc_get( mp_pd_gl.link, PT_LOCS, mp_pd_gl.locs, LOCS_MATCH_LIST, &match_list, LOCS_MATCH_LIST_CNT, &match_list_cnt, LOCS_MP_MATCH_STRING, &bs, LOCS_ERROR, &locs_error, NULL); if (*locs_error) { aw_message(locs_error); } free(locs_error); toksep[0] = 1; toksep[1] = 0; if (bs.data) { ret_list = new MO_Mismatch*[match_list_cnt]; match_name = strtok(bs.data, toksep); match_mismatches = strtok(0, toksep); match_wmismatches = strtok(0, toksep); while (match_name && match_mismatches && match_wmismatches) { ret_list[i] = new MO_Mismatch; ret_list[i]->nummer = convert->get_index_by_entry(match_name); if (match_weight == NON_WEIGHTED) ret_list[i]->mismatch = atof(match_mismatches); else // WEIGHTED und WEIGHTED_PLUS_POS ret_list[i]->mismatch = atof(match_wmismatches); match_name = strtok(0, toksep); match_mismatches = strtok(0, toksep); match_wmismatches = strtok(0, toksep); i++; } } else aw_message("No matching species found."); *number_of_species = match_list_cnt; aisc_close(mp_pd_gl.link); free(bs.data); } return ret_list; } double Sonde::check_for_min(long k, MO_Mismatch** probebacts,long laenge) { long i = k+1; double min; min = probebacts[k]->mismatch; // min ist gleich mismatch des ersten MOs while ( (inummer == probebacts[i]->nummer)) { if (min > probebacts[i]->mismatch) // wenn min groesser ist als mismatch des naechsten MOs min = probebacts[i]->mismatch; // setze min uf groesse des naechsten i++; // checke naechsten MO } return min; } int Sonde::gen_Hitliste(MO_Liste *Bakterienliste) // Angewandt auf eine frische Sonde generiert diese Methode die Hitliste durch eine Anfrage an die Datenbank, wobei // der Name der Sonde uebergeben wird { MO_Mismatch** probebacts; long i,k; // Zaehlervariable long laenge = 0; double mm_to_search = 0; int mm_int_to_search = 0; // DATENBANKAUFRUF mm_to_search = mp_gl_awars.greyzone + mp_gl_awars.outside_mismatches_difference + get_Allowed_Mismatch_no(0); if (mm_to_search > (int) mm_to_search) mm_int_to_search = (int) mm_to_search + 1; else mm_int_to_search = (int) mm_to_search; probebacts = get_matching_species(mp_gl_awars.complement, mp_gl_awars.weightedmismatches, mm_int_to_search, kennung, Bakterienliste, &laenge); // ACHTUNG probebacts mit laenge enthaelt nur laenge-1 Eintraege von 0 bis laenge -2 if (!laenge || !probebacts) { if (!laenge) aw_message("This probe matches no species!"); if (!probebacts) { aw_message("This probe matches no species!"); return 11; } return 1; } //Ptrliste ist Nullterminiert //Sortieren des Baktnummernfeldes: heapsort(laenge,probebacts); double min_mm; //Minimaler Mismatch // laenge ist die Anzahl der Eintraege in probebact // Korrekturschleife, um Mehrfachtreffer auf das gleiche Bakterium abzufangen for (k=0 ; k < laenge-1 ; k++ ) { if (probebacts[k]->nummer == probebacts[k+1]->nummer) { min_mm = check_for_min(k,probebacts,laenge); probebacts[k]->mismatch = min_mm; while ( (knummer == probebacts[k+1]->nummer)) { probebacts[k+1]->mismatch = min_mm; k++; } } } // Das hier funktioniert, da Liste sortiert ist minelem = probebacts[0]->nummer; maxelem = probebacts[laenge-1]->nummer; // Probebacts besteht aus eintraegen der Art (Nummer, Mismatch) hitliste = new Hit*[laenge+1]; for (i=0; inummer); hitliste[i]->set_mismatch_at_pos(0, probebacts[i]->mismatch); } length_hitliste = laenge; // Loesche hitflags wieder long bl_index = 0; Bakt_Info** baktliste = Bakterienliste->get_mo_liste(); Bakt_Info** bl_elem = baktliste+1; while ( bl_elem[bl_index] ) { bl_elem[bl_index]->kill_flag(); bl_index++; } // Loeschen der Temps for (i=0;i-1;i--) sink(i,feldlaenge-1,Nr_Mm_Feld); for (m=feldlaenge-1;m>0;m--) { tmpmm = Nr_Mm_Feld[0]; Nr_Mm_Feld[0] = Nr_Mm_Feld[m]; Nr_Mm_Feld[m] = tmpmm; sink(0,m-1,Nr_Mm_Feld); } } void Sonde::sink(long i,long t,MO_Mismatch** A) // Algorithmus fuer den Heapsort { long j,k; MO_Mismatch* tmpmm; j = 2*i; k = j+1; if (j <= t) { if (A[i]->nummer >= A[j]->nummer) j = i; if (k <= t) if (A[k]->nummer > A[j]->nummer) j = k; if (i != j) { tmpmm = A[i]; A[i] = A[j]; A[j] = tmpmm; sink(j,t,A); } } } void Sonde::set_bitkennung(Bitvector* bv) { bitkennung = bv; } //######################################################################################################## /* Bakt_Info haengt in der MO_Liste drinnen. Hier werden u.a. die Hitflags gespeichert */ //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~Methoden Bakt_Info~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Bakt_Info::Bakt_Info(const char* n) { name = strdup(n); //MEL (match_name in mo_liste) hit_flag = 0; } Bakt_Info::~Bakt_Info() { free(name); hit_flag = 0; } //########################################################################################################## // Hit speichert die Trefferinformation //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~Methoden Hit Hit::Hit(long baktnummer) { // Mismatch Array mit Laenge = anzahl Sonden in Experiment int i=0; mismatch = new double[mp_gl_awars.no_of_probes+1]; for (i=0; i #include #include #include #include #include //############################################################################################ /* */ //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~Methoden ST_Container ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ST_Container::ST_Container(int anz_sonden) // ist ein define das auf 1000 steht. (wir wissen, das das nicht ganz sauber ist so!) { long laenge_markierte; Sondennamen = new List; Auswahlliste = new MO_Liste(); Bakterienliste = new MO_Liste(); Bakterienliste->get_all_species(); if (pt_server_different) return; laenge_markierte = Auswahlliste->fill_marked_bakts(); anz_elem_unmarked = Bakterienliste->debug_get_current()-1 - laenge_markierte; // STATISTIK anzahl_basissonden = anz_sonden; cachehash = GBS_create_hash(anzahl_basissonden + 1, GB_IGNORE_CASE); // hashlaenge darf nicht 0 sein, groesser schadet nicht sondentopf = new Sondentopf(Bakterienliste,Auswahlliste); // Momentan wird auf diesem sondentopf gearbeitet } ST_Container::~ST_Container() { char* Sname; Sonde* csonde; delete Bakterienliste; delete Auswahlliste; delete sondentopf; Sname = Sondennamen->get_first(); while (Sname) { csonde = get_cached_sonde(Sname); delete csonde; free(Sname); Sondennamen->remove_first(); Sname = Sondennamen->get_first(); } delete Sondennamen; GBS_free_hash(cachehash); } Sonde* ST_Container::cache_Sonde(char *name, int allowed_mis, double outside_mis) { long hashreturnval; char* name_for_plist = strdup(name); //char* hashname = name; Sonde* s = new Sonde(name, allowed_mis, outside_mis); Sondennamen->insert_as_first(name_for_plist); s->gen_Hitliste(Bakterienliste); hashreturnval = GBS_write_hash(cachehash, name, (long) s); // Reine Sonde plus Hitliste geschrieben, der Zeiger auf die Sonde liegt als long gecastet im Hash return s; } Sonde* ST_Container::get_cached_sonde(char* name) { if (name) return (Sonde*)GBS_read_hash(cachehash,name); else return NULL; } //############################################################################################ /* Zu jeder Kombination von Mehrfachsonden gehoert ein Sondentopf. Dieser enthaelt eine Liste mit Sonden und eine Liste mit Kombinationen aus diesen Sonden. Die Kombinationen entstehen aus den Sonden und/oder aus Kombinationen durch Verknuepfung mit der Methode Probe_AND. */ //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~Methoden SONDENTOPF ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Sondentopf::Sondentopf(MO_Liste *BL, MO_Liste *AL) { Listenliste = new List; color_hash = GBS_create_hash((long)(BL->get_laenge()/0.8)+1, GB_IGNORE_CASE); if (!BL) { aw_message("List of species is empty. Terminating program"); exit(333); } if (!AL) { aw_message("List of marked species is empty. Terminating program"); exit(334); } BaktList = BL; Auswahllist = AL; Listenliste->insert_as_last((void**) new List); } Sondentopf::~Sondentopf() { //darf nur delete auf die listenliste machen, nicht auf die MO_Lists, da die zu dem ST_Container gehoeren Sonde *stmp = NULL; List *ltmp = LIST(Listenliste->get_first()); if (ltmp) { stmp = ltmp->get_first(); } while (ltmp) { while (stmp) { ltmp->remove_first(); //delete stmp; stmp = ltmp->get_first(); } Listenliste->remove_first(); delete ltmp; ltmp = LIST(Listenliste->get_first()); } delete Listenliste; //delete BaktList; //delete Auswahllist; GBS_free_hash(color_hash); } void Sondentopf::put_Sonde(char *name, int allowed_mis, double outside_mis) { positiontype pos; ST_Container *stc = mp_main->get_stc(); List *Sondenliste = LIST(Listenliste->get_first()); Sonde *s; int i=0; if (!name) { aw_message("No name specified for species. Abort."); exit(111); } if (!Sondenliste) { Sondenliste = new List; Listenliste->insert_as_last((void**) Sondenliste ); } s = stc->get_cached_sonde(name); if (!s) { s = stc->cache_Sonde(name, allowed_mis, outside_mis); } pos = Sondenliste->insert_as_last( s ); if (! s->get_bitkennung()) s->set_bitkennung(new Bitvector( ((int) pos) ) ); s->set_far(0); s->set_mor(pos); s->get_bitkennung()->setbit(pos-1); // im cache steht die Mismatch info noch an Stelle 0. Hier muss sie an Stelle pos verschoben werden if (pos!=0) for (i=0; iget_length_hitliste(); i++) if (s->get_hitdata_by_number(i)) s->get_hitdata_by_number(i)->set_mismatch_at_pos( pos,s->get_hitdata_by_number(i)->get_mismatch_at_pos(0) ); } double** Sondentopf::gen_Mergefeld() { // Zaehler int i,j; Sonde* sonde; List* Sondenliste = LIST(Listenliste->get_first()); long alle_bakterien = BaktList->debug_get_current()-1; long H_laenge, sondennummer; double** Mergefeld = new double*[alle_bakterien+1]; for (i=0; iget_first(); while (sonde) { H_laenge = sonde->get_length_hitliste(); for (i=0; iget_hitdata_by_number(i)->get_baktid()][sondennummer] = sonde->get_hitdata_by_number(i)->get_mismatch_at_pos(0) ; } sondennummer++; sonde = Sondenliste->get_next(); } return Mergefeld; } probe_tabs* Sondentopf::fill_Stat_Arrays() { // erstmal generische Felder List* Sondenliste = LIST(Listenliste->get_first()); long feldlen = (long) pow(3.0,(int)(mp_gl_awars.no_of_probes)); int* markierte = new int[feldlen]; //MEL int* unmarkierte = new int[feldlen]; //MEL int i=0,j=0; long alle_bakterien = BaktList->debug_get_current()-1; long wertigkeit = 0; double** Mergefeld; int* AllowedMismatchFeld = new int[mp_gl_awars.no_of_probes]; Sonde* sonde; sonde = Sondenliste->get_first(); for (i=0; iget_Allowed_Mismatch_no(0); sonde = Sondenliste->get_next(); } for (i=0; iget_entry_by_index(i)) { if ( Auswahllist->get_index_by_entry( BaktList->get_entry_by_index(i) ) ) { markierte[wertigkeit]++; } else { unmarkierte[wertigkeit]++; } } } for (i=0;i* Sondenliste = LIST(Listenliste->get_first()); double** Mergefeld; long alle_bakterien = BaktList->debug_get_current() -1; int* AllowedMismatchFeld = new int[mp_gl_awars.no_of_probes]; //MEL int* rgb = new int[3]; //MEL Sonde* sonde; int i=0, j=0; int marker=0; int r=0,g=0,b=0,y=0,w=0,l=0,n=0; int check; sonde = Sondenliste->get_first(); for (i=0; iget_Allowed_Mismatch_no(0); sonde = Sondenliste->get_next(); } if (!anz_sonden) return; Mergefeld = gen_Mergefeld(); for (i=1; i < alle_bakterien+1; i++) { rgb[0]=0; rgb[1]=0; rgb[2]=0; for (j=0; jget_entry_by_index(i)) r++; } else if (!rgb[0] && rgb[1] && !rgb[2]) { codenum = 2; if (Auswahllist->get_entry_by_index(i)) g++; } else if (!rgb[0] && !rgb[1] && rgb[2]) { codenum = 3; if (Auswahllist->get_entry_by_index(i)) b++; } else if (rgb[0] && rgb[1] && !rgb[2]) { codenum = 4; if (Auswahllist->get_entry_by_index(i)) y++; } else if (rgb[0] && !rgb[1] && rgb[2]) { codenum = 5; if (Auswahllist->get_entry_by_index(i)) w++; } else if (!rgb[0] && rgb[1] && rgb[2]) { codenum = 6; if (Auswahllist->get_entry_by_index(i)) l++; } else if (rgb[0] && rgb[1] && rgb[2]) { codenum = 7; if (Auswahllist->get_entry_by_index(i)) n++; } else aw_message("Error in color assignment"); switch ( codenum ) { case 0: color = AWT_GC_BLACK; break; case 1: color = AWT_GC_RED; break; case 2: color = AWT_GC_GREEN; break; case 3: color = AWT_GC_BLUE; break; case 4: color = AWT_GC_YELLOW; break; case 5: color = AWT_GC_MAGENTA; break; // was NAVY case 6: color = AWT_GC_CYAN; break; // was LIGHTBLUE case 7: color = AWT_GC_WHITE ; break; default: aw_message("Error in color assignment"); } GBS_write_hash(color_hash, BaktList->get_entry_by_index(i) , (long) color); } for (i=0;i #include #include #include #include #include #include #include #include "MultiProbe.hxx" #include struct mp_gl_struct mp_pd_gl; //************************************************************************** AW_selection_list *selected_list; //globale id's fuer AW_selection_list *probelist; //Identifizierung der Listen AW_selection_list *result_probes_list; AW_window_simple *MP_Window::create_result_window(AW_root *aw_root) { if (result_window) return result_window; result_window = new AW_window_simple; result_window->init( aw_root, "MULTIPROBE_RESULTS", "MultiProbe combination results"); result_window->load_xfig("mp_results.fig"); result_window->button_length(8); result_window->at("close"); result_window->callback(AW_POPDOWN); result_window->create_button("CLOSE", "CLOSE"); result_window->at("DeleteAll"); result_window->callback(MP_del_all_result); result_window->create_button("DELETE_ALL", "DELETE"); result_window->at("DeleteSel"); result_window->callback(MP_del_sel_result); result_window->create_button("DELETE_SEELECTED", "DELETE"); result_window->at("box"); result_window->callback(MP_result_chosen); result_probes_list = result_window->create_selection_list( MP_AWAR_RESULTPROBES,"ResultProbes","R" ); result_probes_list->value_equal_display = true; // plain load/save (no # interpretation) result_window->set_selection_list_suffix(result_probes_list,"mpr"); result_window->insert_default_selection(result_probes_list, "",""); result_window->at("Load"); result_window->callback(AW_POPUP, (AW_CL)create_load_box_for_selection_lists, (AW_CL)result_probes_list ); result_window->create_button("LOAD_RPL", "LOAD"); result_window->at("Save"); result_window->callback( AW_POPUP, (AW_CL)create_save_box_for_selection_lists, (AW_CL)result_probes_list); result_window->create_button("SAVE_RPL", "SAVE"); result_window->button_length(7); result_window->at("Help"); result_window->callback(AW_POPUP_HELP,(AW_CL)"multiproberesults.hlp"); result_window->create_button("HELP","HELP"); // change comment : result_window->button_length(8); result_window->at("Trash"); result_window->callback(MP_Comment, (AW_CL) "Bad"); result_window->create_button("MARK_AS_BAD", "BAD"); result_window->at("Good"); result_window->callback(MP_Comment, (AW_CL) "???"); result_window->create_button("MARK_AS_GOOD", "???"); result_window->at("Best"); result_window->callback(MP_Comment, (AW_CL) "Good"); result_window->create_button("MARK_AS_BEST", "Good"); result_window->at("Comment"); result_window->callback(MP_Comment, (AW_CL)0); result_window->create_input_field(MP_AWAR_RESULTPROBESCOMMENT); result_window->at("auto"); result_window->create_toggle(MP_AWAR_AUTOADVANCE); // tree actions : result_window->button_length(3); result_window->at("ct_back"); result_window->callback(MP_show_probes_in_tree_move, (AW_CL)1, (AW_CL)result_probes_list); result_window->create_button("COLOR_TREE_BACKWARD", "#rightleft_small.bitmap"); result_window->at("ct_fwd"); result_window->callback(MP_show_probes_in_tree_move, (AW_CL)0, (AW_CL)result_probes_list); result_window->create_button("COLOR_TREE_FORWARD", "#leftright_small.bitmap"); result_window->button_length(8); result_window->at("ColorTree"); result_window->button_length(4); result_window->callback(MP_show_probes_in_tree); result_window->create_button("COLOR_TREE", "GO"); result_window->at("MarkTree"); result_window->callback(MP_mark_probes_in_tree); result_window->create_button("MARK_TREE", "GO"); result_window->at("GroupAll"); result_window->callback(MP_group_all_except_marked); result_window->create_button("GROUP_UNMARKED", "GO"); result_window->at("StandardColor"); result_window->callback(MP_normal_colors_in_tree); result_window->create_button("RESET_COLORS", "GO"); return result_window; } static const char *parse_word(const char *& line, int& wordlen) { gb_assert(line); while (line[0] == ' ') ++line; // eat whitespace if (line[0] == 0) return 0; // at EOL const char *behind_word = strchr(line, ' '); if (!behind_word) behind_word = strchr(line, 0); // get EOL gb_assert(behind_word); wordlen = behind_word-line; gb_assert(wordlen); static char *word_buffer = 0; freeset(word_buffer, GB_strndup(line, wordlen)); line = behind_word; return word_buffer; } static GB_ERROR parse_probe_list_entry(const char *one_line, char*& probe_string, int& ecoli_position) { const char *start = one_line; const char *reason = "more tokens expected"; int wordlen; const char *word = parse_word(one_line, wordlen); probe_string = 0; if (word) { int target_length = wordlen; word = parse_word(one_line, wordlen); if (word) { int length = atoi(word); if (length != target_length) { reason = "Length mismatch between 'Target' and 'le'"; } else { word = parse_word(one_line, wordlen); if (word && wordlen == 2) { // spaces between 'A=' and number word = parse_word(one_line, wordlen); // parse number } if (word) word = parse_word(one_line, wordlen); // parse ecoli if (word) { ecoli_position = atoi(word); if (word) word = parse_word(one_line, wordlen); // parse 'grps' if (word) word = parse_word(one_line, wordlen); // parse 'G+C' if (word) word = parse_word(one_line, wordlen); // parse '4GC+2AT' if (word) word = parse_word(one_line, wordlen); // parse 'Probe sequence' if (word) { if (wordlen != target_length) { reason = "Length mismatch between 'Target' and 'Probe sequence'"; } else { probe_string = strdup(word); return 0; // success } } } } } } return GBS_global_string("can't parse line '%s' (Reason: %s)", start, reason); } void mp_load_list( AW_window *aww, AW_selection_list *selection_list, char *base_name) { aww->clear_selection_list(selection_list); char *data; { const char *awar_file = GBS_global_string("%s/file_name", base_name); char *filename = aww->get_root()->awar(awar_file)->read_string(); data = GB_read_file(filename); free(filename); if (!data) { aw_message(GB_await_error()); return; } } if (strstr(data,"Probe design Parameters:")) { // designliste nach Sonden filtern char *next_line = 0; int target_seen = 0; GB_ERROR error = 0; for (char *line = data; line; line = next_line) { { char *nl = strchr(line, '\n'); if (nl) { nl[0] = 0; next_line = nl+1; } else { next_line = 0; } } if (!target_seen) { if (strncmp(line, "Target ", 7) == 0) { target_seen = 1; } } else { char *probe_string = 0; int ecoli_position = -1; error = parse_probe_list_entry(line, probe_string, ecoli_position); if (error) { next_line = 0; } else { const char *real_disp = GBS_global_string("%1d#%1d#%6d#%s", QUALITYDEFAULT, 0, ecoli_position, probe_string); aww->insert_selection(selection_list, real_disp, real_disp); } free(probe_string); } } } else { char *next_word = 0; for (char *pl = data; pl && pl[0]; pl = next_word) { char *ko = strchr(pl,'\n'); if (ko) { *(ko++) = 0; next_word = ko; } else next_word = ko; ko = strchr(pl,','); char *real_disp = 0; if (ko) { *(ko++) = 0; if (selection_list == selected_list || selection_list == probelist) //in ausgewaehltenliste laden { real_disp = new char[3+strlen(ko)]; sprintf(real_disp,"%1d#%s",atoi(pl),ko); } else { real_disp = new char[21+strlen(SEPARATOR)+strlen(ko)+1]; sprintf(real_disp,"%20s%s%s",pl,SEPARATOR,ko); } } else //kein Komma { if (selection_list == selected_list || selection_list == probelist) { real_disp = new char[5+7+strlen(pl)]; sprintf(real_disp,"%1d#%1d#%6d#%s",QUALITYDEFAULT,0,0,pl); } else { real_disp = new char[21+strlen(SEPARATOR)+strlen(pl)+1]; sprintf(real_disp,"%20s%s%s"," ",SEPARATOR,pl); } } aww->insert_selection(selection_list,real_disp,real_disp); delete real_disp; } } free(data); aww->insert_default_selection(selection_list,"",""); // aww->sort_selection_list( selection_list ); aww->update_selection_list(selection_list); } static AW_window *mp_create_load_box_for_selection_lists(AW_root *aw_root, AW_CL selid) { AW_selection_list *selection_list = (AW_selection_list*)selid; char *var_id = GBS_string_2_key(selection_list->variable_name); char *base_name = GBS_global_string_copy("tmp/load_box_sel_%s", var_id); // do not free (attached to cbs) aw_create_selection_box_awars(aw_root, base_name, ".", ".list", ""); AW_window_simple *aws = new AW_window_simple; char *window_id = GBS_global_string_copy("LOAD_%s", var_id); aws->init( aw_root, window_id, "Load"); aws->load_xfig("sl_l_box.fig"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("load"); aws->highlight(); aws->callback((AW_CB)mp_load_list,(AW_CL)selid,(AW_CL)base_name); // transfers ownership of base_name aws->create_button("LOAD","LOAD","L"); awt_create_selection_box(aws, base_name); free(window_id); free(var_id); return aws; } void MP_Window::build_pt_server_list() { int i; char *choice; #if defined(DEVEL_RALF) #warning why option_menu ? better use selection list ( awt_create_selection_list_on_pt_servers ) #endif // DEVEL_RALF aws->at("PTServer"); aws->callback(MP_cache_sonden); aws->create_option_menu( MP_AWAR_PTSERVER, NULL, ""); for (i=0; ; i++) { choice = GBS_ptserver_id_to_choice(i, 1); if (! choice) break; aws->insert_option( choice, "", i); delete choice; } aws->update_option_menu(); } MP_Window::MP_Window(AW_root *aw_root) { int max_seq_col = 35, max_seq_hgt = 15; result_window = NULL; aws = new AW_window_simple; aws->init( aw_root, "MULTI_PROBE", "MULTI_PROBE"); aws->load_xfig("multiprobe.fig"); aws->at("close"); aws->callback(MP_cache_sonden); aws->callback(MP_close_main); aws->create_button("CLOSE","CLOSE"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"multiprobe.hlp"); aws->create_button("HELP","HELP"); // aws->at("Sequenzeingabe"); // aws->callback(MP_take_manual_sequence); // aws->create_input_field(MP_AWAR_SEQUENZEINGABE, max_seq_col); aws->at("Border1"); aws->callback(MP_cache_sonden); aws->create_input_field(MP_AWAR_QUALITYBORDER1, 4); // aws->at("EcoliPos"); // aws->create_input_field(MP_AWAR_ECOLIPOS, 6); aws->button_length(5); aws->at("New"); aws->callback(MP_new_sequence); aws->create_button("CREATE_NEW_SEQUENCE", "ADD"); aws->button_length(10); aws->at("Compute"); aws->callback(MP_compute); aws->highlight(); aws->help_text("Compute possible Solutions"); aws->create_button("GO","GO"); aws->button_length(20); aws->at("Results"); aws->callback(MP_popup_result_window); aws->create_button("OPEN_RESULT_WIN", "Open result window"); aws->button_length(5); aws->at("RightLeft"); aws->callback(MP_rightleft); aws->create_button("MOVE_RIGHT", "#rightleft.bitmap"); //rightleft.bitmap aws->at("LeftRight"); aws->callback(MP_leftright); aws->create_button("MOVE_LEFT", "#leftright.bitmap"); //leftright.bitmap aws->at("AllRight"); aws->callback(MP_all_right); aws->create_button("MOVE_ALL_RIGHT", "#allright.bitmap"); aws->at("Quality"); aws->callback(MP_cache_sonden); aws->create_option_menu( MP_AWAR_QUALITY, NULL, ""); aws->insert_option( "High Priority", "", 5 ); aws->insert_option( " 4", "", 4 ); aws->insert_option( "Normal 3", "", 3 ); aws->insert_option( " 2", "", 2 ); aws->insert_option( "Low Prio. 1", "", 1 ); aws->update_option_menu(); if (1){ aws->at("OutsideMismatches"); aws->callback(MP_cache_sonden); aws->create_option_menu( MP_AWAR_OUTSIDEMISMATCHES, NULL, ""); aws->insert_option( "3.0", "", (float)3.0 ); aws->insert_option( "2.5", "", (float)2.5 ); aws->insert_option( "2.0", "", (float)2.0 ); aws->insert_option( "1.5", "", (float)1.5 ); aws->insert_option( "1.0", "", (float)1.0 ); #ifdef DEBUG aws->insert_option( "0", "", (float)1.0 ); #endif aws->update_option_menu(); } aws->button_length(7); aws->at("Selectedprobes"); aws->callback(MP_selected_chosen); selected_list = aws->create_selection_list( MP_AWAR_SELECTEDPROBES, "Selected Probes", "Selected Probes", max_seq_col, max_seq_hgt ); aws->set_selection_list_suffix(selected_list,"prb"); aws->insert_default_selection(selected_list, "",""); aws->at("Probelist"); probelist = aws->create_selection_list( MP_AWAR_PROBELIST, "Probelist", "P" ); aws->set_selection_list_suffix(probelist,"prb"); aws->insert_default_selection(probelist, "",""); aws->at("LoadProbes"); aws->callback(AW_POPUP, (AW_CL)mp_create_load_box_for_selection_lists, (AW_CL)probelist); aws->create_button("LOAD_PROBES","LOAD"); aws->at("SaveProbes"); aws->callback( AW_POPUP, (AW_CL)create_save_box_for_selection_lists, (AW_CL)probelist); aws->create_button("SAVE_PROBES", "SAVE"); aws->at("LoadSelProbes"); aws->callback(AW_POPUP, (AW_CL)mp_create_load_box_for_selection_lists, (AW_CL)selected_list); aws->create_button("LOAD_SELECTED_PROBES", "LOAD"); aws->at("SaveSelProbes"); aws->callback( AW_POPUP, (AW_CL)create_save_box_for_selection_lists, (AW_CL)selected_list ); aws->create_button("SAVE_SELECTED_PROBES", "SAVE"); aws->at("DeleteAllPr"); aws->callback(MP_del_all_probes); aws->create_button("DELETE_ALL_PROBES", "DELETE"); aws->at("DeleteAllSelPr"); aws->callback(MP_del_all_sel_probes); aws->create_button("DELETE_ALL_SELECTED_PROBES", "DELETE"); aws->at("DeleteSel"); aws->callback(MP_del_sel_probes); aws->create_button("DELETE_SELECTED_PROBE", "DELETE"); aws->at("DeletePr"); aws->callback(MP_del_probes); aws->create_button("DELETE_PROBES", "DELETE"); aws->at("WeightedMismatches"); aws->callback(MP_cache_sonden); aws->create_toggle(MP_AWAR_WEIGHTEDMISMATCHES); // if (0){ // aws->create_toggle_field(MP_AWAR_WEIGHTEDMISMATCHES,1); // aws->insert_toggle("#weighted1.bitmap","0",0); // aws->insert_toggle("#weighted3.bitmap","1",1); // aws->insert_toggle("#weighted2.bitmap","2",2); // aws->update_toggle_field(); // } aws->at("Komplement"); aws->callback(MP_cache_sonden); aws->create_toggle(MP_AWAR_COMPLEMENT); // if (0){ // aws->at("Mismatches"); // aws->create_option_menu( MP_AWAR_MISMATCHES, NULL, ""); // aws->callback(MP_cache_sonden); // aws->insert_option( "0 mismatches", "", 0 ); // aws->insert_option( "1 mismatches", "", 1 ); // aws->insert_option( "2 mismatches", "", 2 ); // aws->insert_option( "3 mismatches", "", 3 ); // aws->insert_option( "4 mismatches", "", 4 ); // aws->insert_option( "5 mismatches", "", 5 ); // aws->update_option_menu(); // } // if (0){ // aws->at("SingleMismatches"); // aws->create_option_menu( MP_AWAR_SINGLEMISMATCHES, NULL, ""); // aws->insert_option( "0 mismatches", "", 0 ); // aws->insert_option( "1 mismatches", "", 1 ); // aws->insert_option( "2 mismatches", "", 2 ); // aws->insert_option( "3 mismatches", "", 3 ); // aws->insert_option( "4 mismatches", "", 4 ); // aws->insert_option( "5 mismatches", "", 5 ); // aws->update_option_menu(); // } aws->at("Greyzone"); aws->callback(MP_cache_sonden); aws->create_option_menu( MP_AWAR_GREYZONE, NULL, ""); aws->insert_default_option( "0.0", "", (float)0.0 ); for (float lauf=0.1; lauf<(float)1.0; lauf+=0.1){ char strs[20]; sprintf(strs,"%.1f",lauf); aws->insert_option( strs, "", lauf ); } aws->update_option_menu(); aws->at("NoOfProbes"); aws->create_option_menu( MP_AWAR_NOOFPROBES, NULL, ""); aws->callback(MP_cache_sonden); aws->insert_option( "Compute 1 probe ", "", 1 ); char str[50]; for (int i=2; i<=MAXPROBECOMBIS; i++){ sprintf(str,"%2d-probe-combinations",i); aws->insert_option( str, "", i ); } aws->update_option_menu(); aws->at("PTServer"); awt_create_selection_list_on_pt_servers(aws, MP_AWAR_PTSERVER, true); aw_root->awar(MP_AWAR_PTSERVER)->add_callback(MP_cache_sonden2); // remove cached probes when changing pt-server // build_pt_server_list(); } MP_Window::~MP_Window() { if (result_window) result_window->hide(); if (aws) aws->hide(); delete result_window; delete aws; } ./arbsrc_9167/MULTI_PROBE/MultiProbe.hxx0000644012664100000130000003205311440743000017567 0ustar arb_buildcoders #ifndef MULTIPROBE_HXX #define MULTIPROBE_HXX #include //unsere Definitionen #include #include #include #ifndef AW_AWARS_HXX #include #endif #define mp_assert(x) arb_assert(x) class MP_Main; class MP_Window; class AW_window; class AW_root; class AW_window_simple; class AWT_canvas; class ProbeValuation ; class ST_Container; class Bitvector; class Sonde; #ifndef MP_PROBE_HXX #include "MP_probe.hxx" #endif #define MP_AWAR_SEQUENZEINGABE "mp/sequenzeingabe" #define MP_AWAR_SELECTEDPROBES "mp/selectedprobes" #define MP_AWAR_PROBELIST "mp/probelist" #define MP_AWAR_WEIGHTEDMISMATCHES "mp/weightedmismatches" #define MP_AWAR_COMPLEMENT "mp/complement" #define MP_AWAR_MISMATCHES "mp/mismatches" #define MP_AWAR_PTSERVER AWAR_PT_SERVER #define MP_AWAR_LOADLIST "mp/loadlist" #define MP_AWAR_RESULTPROBES "mp/resultprobes" #define MP_AWAR_RESULTPROBESCOMMENT "mp/resultprobescomment" #define MP_AWAR_NOOFPROBES "mp/noofprobes" #define MP_AWAR_QUALITY "mp/quality" #define MP_AWAR_SINGLEMISMATCHES "mp/singlemismatches" #define MP_AWAR_OUTSIDEMISMATCHES "mp/outsidemismatches" #define MP_AWAR_QUALITYBORDER1 "mp/qualityborder1" #define MP_AWAR_GREYZONE "mp/greyzone" #define MP_AWAR_EMPHASIS "mp/emphasis" #define MP_AWAR_ECOLIPOS "mp/ecolipos" #define MP_AWAR_AUTOADVANCE "mp/auto_advance" #define MINQUALITY 1.0 // schlechteste Qualitaet einer Sonde #define MAXQUALITY 5.0 // beste Qualitaet einer Sonde #define QUALITYDEFAULT 3 #define MAXPROBECOMBIS 6 // Maximale Anzahl der Sondenkombinationen #define MAXMISMATCHES 6 // von 0 bis 5 !!!! #define MAXRESULTSINLIST 40 //groesse der Ergebnisliste, die im Ergebnisfenster angezeigt wird #define FITNESSSCALEFACTOR 10 //wird benutzt um intern die hammingtabelle feiner zu granulieren //siehe probe_combi_statistic::calc_fitness #define MULTROULETTEFACTOR 10 //macht aus z.B. 4,231 42 #define MAXINITPOPULATION 50 // Ausgangsgroesse der Population #define MAXPOPULATION MAXINITPOPULATION #define CROSSOVER_WS 60 // Crossoverwahrscheinlichkeit liegt bei CROSSOVER_WS Prozent !!! #define MUTATION_WS 33 // Mutationswahrscheinlichkeit liegt bei 1/MUTATION_WS Prozent!!! #define SIGMATRUNCATION_CONST 2 // die Standardwerte liegen zwischen 1 und 3 #define C_MULT 1.4 // Werte zwischen 1.2 und 2.0 //#define USE_SIGMATRUNCATION // diesen Namen definieren, wenn sigma_truncation in der linearen Skal. (=fitness skalierung) verwendet werden soll //#define USE_LINEARSCALING // diesen Namen definieren, wenn lineare_skalierung (=fitness skalierung) verwendet werden soll //#define USE_DUP_TREE //definieren, wenn eine Sondenkombination nur einmal pro generation vorkommen darf !!! #define ABS(x) (x<0) ? -x : x #define LIST(TYP) ((List*) TYP) #define MAXSONDENHASHSIZE 1000 //max 1000 Sonden koennen gecached werden, bei Bedarf aendern !!!! typedef struct { char *manual_sequence; char *selected_probes; char *probelist; char *result_probes; char *result_probes_comment; float outside_mismatches_difference; long weightedmismatches; long complement; long no_of_mismatches; long no_of_probes; long singlemismatches; long ptserver; long probe_quality; long qualityborder_best; long emphasis; long ecolipos; float min_weight; float max_weight; float greyzone; }awar_vars; class AW_selection_list; extern BOOL Stop_evaluation; extern AW_selection_list *selected_list; //globale id's fuer extern AW_selection_list *probelist; //identifizierung der Listen extern char MP_probe_tab[256]; extern AW_selection_list *result_probes_list; extern int remembered_mismatches; extern int anz_elem_marked; extern int anz_elem_unmarked; extern unsigned char **hamming_tab; extern int **system3_tab; extern int outside_mismatches; extern BOOL pt_server_different; extern BOOL new_pt_server; long k_aus_n(int k, int n); // Berechnung k aus n extern int get_random(int min, int max); //gibt eine Zufallszahl x mit der Eigenschaft : min <= x <= max //******************************************************** extern GBDATA *GLOBAL_gb_main; //global gb_main extern MP_Main *mp_main; extern awar_vars mp_gl_awars; //globale Variable, die manuell eingegebene Sequenz enthaelt //******************************************************** class MP_Main { private: MP_Window *mp_window; AW_root *aw_root; AWT_canvas *ntw; ST_Container *stc; ProbeValuation *p_eval; private: void create_awars(); public: MP_Window *get_mp_window() { return mp_window; }; AW_root *get_aw_root() { return aw_root; }; AWT_canvas *get_ntw() { return ntw; }; ProbeValuation *get_p_eval() { return p_eval; }; ST_Container *get_stc() { return stc; }; void set_stc(ST_Container *stopfC) { stc = stopfC;} void set_p_eval (ProbeValuation *y) { p_eval = y; }; ProbeValuation *new_probe_eval(char **field, int size, int* array, int *mismatches); void destroy_probe_eval(); MP_Main(AW_root *awr,AWT_canvas *ntwt); ~MP_Main(); }; class MP_Window { private: AW_window_simple *aws; AW_window_simple *result_window; private: void build_pt_server_list(); //zeigt auf naechstes Zeichen public: AW_window_simple *get_window() { return aws; }; AW_window_simple *get_result_window() { return result_window; }; AW_window_simple *create_result_window(AW_root *aw_root); // char *load_selection_list( AW_window *aww, int selection_list, char *filename); //modifiziert von AW_window MP_Window(AW_root *aw_root); ~MP_Window(); }; //***************************************************** // Globale Klassenlose Funktionen //***************************************************** void MP_compute(AW_window *); class MP_list // class which implements a general purpose linked list of void* { public: MP_list_elem *first; MP_list_elem *last; long no_of_entries; void append_elem( void *elem ); void delete_elem( void *elem ); void append_elem_backwards( void *elem ); short is_elem( void *elem ); MP_list(); ~MP_list(); }; //##################################### Bakt_Info ########################### class Bakt_Info { private: char* name; long hit_flag; public: char* get_name() {return name;}; long inc_hit_flag() { return(++hit_flag);}; long get_hit_flag() { return(hit_flag);}; void kill_flag() { hit_flag = 0; }; Bakt_Info(const char* n); ~Bakt_Info(); }; //##################################### Hit ##################################### class Hit { //nds private: double *mismatch; long baktid; public: double* get_mismatch() { return mismatch; }; long get_baktid() { return baktid; }; void set_mismatch_at_pos(int pos, double mm) { mismatch[pos] = mm; }; double get_mismatch_at_pos(int pos) { return mismatch[pos]; }; Hit(long baktnummer); ~Hit(); }; //##################################### Sondentopf ################################## class probe_tabs; class Sondentopf { private: List *Listenliste; GB_HASH *color_hash; MO_Liste *BaktList; MO_Liste *Auswahllist; public: probe_tabs* fill_Stat_Arrays(); double** gen_Mergefeld(); void put_Sonde(char *name, int allowed_mis, double outside_mis); long get_length_hitliste(); void gen_color_hash(positiontype anz_sonden); GB_HASH *get_color_hash() { return color_hash;}; Sondentopf(MO_Liste *BL, MO_Liste *AL); ~Sondentopf(); }; //##################################### Sonde ##################################### class Sonde { private: char* kennung; // Nukleinsaeuren, z.B. "atgatgatg" Bitvector* bitkennung; // Sonde 1 Platz eins, ...zwei..., ... Analog zum Aufbau der Listenliste Hit **hitliste; // start bei index 0, letztes element enthaelt NULL long length_hitliste; long minelem; long maxelem; positiontype kombi_far,kombi_mor; long *Allowed_Mismatch; double *Outside_Mismatch; public: double get_Allowed_Mismatch_no(int no) { return ( (Allowed_Mismatch) ? Allowed_Mismatch[no] : 100);}; double get_Outside_Mismatch_no(int no) { return ( (Outside_Mismatch) ? Outside_Mismatch[no] : 100);}; char* get_name(){ return kennung; }; Hit* get_hitdata_by_number(long index); Hit** get_Hitliste() { return hitliste;}; long get_length_hitliste(){ return length_hitliste;}; long get_minelem() { return minelem;}; long get_maxelem() { return maxelem;}; positiontype get_far() { return kombi_far; }; positiontype get_mor() { return kombi_mor; }; Bitvector* get_bitkennung() { return bitkennung;}; void set_Allowed_Mismatch_no(int pos, int no) { Allowed_Mismatch[pos] = no; }; void set_Outside_Mismatch_no(int pos, int no) { Outside_Mismatch[pos] = no; }; void set_bitkennung(Bitvector* bv); //Setzt eine Leere Bitkennung der laenge bits void set_name(char* name) { kennung = strdup(name); }; void set_Hitliste(Hit** hitptr) { hitliste = hitptr;}; void set_length_hitliste(long lhl) { length_hitliste = lhl;} ; void set_minelem(long min) { minelem = min;}; void set_maxelem(long max) {maxelem = max;}; void set_far(positiontype far) { kombi_far = far; }; void set_mor(positiontype mor) { kombi_mor = mor; }; void print(); void sink(long i, long t,MO_Mismatch** A); void heapsort(long feldlaenge,MO_Mismatch** Nr_Mm_Feld); double check_for_min(long k, MO_Mismatch** probebacts, long laenge); MO_Mismatch** get_matching_species(BOOL match_kompl, int match_weight, int match_mis, char *match_seq, MO_Liste *convert, long *number_of_species); int gen_Hitliste(MO_Liste *Bakterienliste); Sonde(char* bezeichner, int allowed_mis, double outside_mis); ~Sonde(); }; //##################################### Sondentopf Container ########################### class ST_Container { public: MO_Liste *Bakterienliste; MO_Liste *Auswahlliste; Sondentopf *sondentopf; //Wird einmal eine Sondentopfliste List *ST_Liste; int anzahl_basissonden; GB_HASH* cachehash; List *Sondennamen; Sonde* cache_Sonde(char *name, int allowed_mis, double outside_mis); Sonde* get_cached_sonde(char* name); ST_Container(int anz_sonden); ~ST_Container(); }; //##################################### MO_Liste ##################################### /* Die Namen werden in die Hashtabelle mit fortlaufender Nummer abgespeichert * Die Nummer bezeichnet das Feld in einem Array, indem momentan der B.-Name steht, * spaeter * aber auch z.B. ein Pointer auf eine Klasse mit mehr Informationen stehen kann ACHTUNG:: Es kann passieren, dass eine Sonde mehrmals an einen Bakter bindet. Dann wird der Bakter nur einmal in die Liste eingetragen, und damit ist die laenge nicht mehr aussagekraeftig. current-1 enthaelt das letzte element der liste, die Liste beginnt bei 1 */ class MO_Liste { private: Bakt_Info** mo_liste; long laenge; long current; //zeigt auf den ersten freien eintrag GB_HASH* hashptr; public: positiontype fill_marked_bakts(); void get_all_species(); long debug_get_current(); long get_laenge(); long put_entry(const char* name); char* get_entry_by_index(long index); long get_index_by_entry(const char* key); Bakt_Info* get_bakt_info_by_index(long index); Bakt_Info** get_mo_liste() { return mo_liste;} MO_Liste(); ~MO_Liste(); }; class Bitvector { /* Bitpositionen sind 0 bis 7 !! */ private: char* vector; int len; int num_of_bits; public: int gen_id(); Bitvector* merge(Bitvector* x); int subset(Bitvector* Obermenge); int readbit(int pos); int setbit(int pos); int delbit(int pos); void rshift(); void print(); char* get_vector() { return vector; }; int get_num_of_bits() { return num_of_bits;}; int get_len() { return len;}; void set_vector(char* back) { vector = back; }; Bitvector(int bits); ~Bitvector(); }; #else #error MultiProbe.hxx included twice #endif ./arbsrc_9167/MULTI_PROBE/SoTl.hxx0000644012664100000130000007423211440743000016373 0ustar arb_buildcoders#ifndef SOTL_HXX #define SOTL_HXX // SOTL = SelfOrganising TemplateList /* Copyright by Andrej Konkow 1996 User has to take care by his own on calling update_pos_no, when inserting elements somewhere in the middle. If elements are inserted only at the last position the pos is incremented correctly. By default the first element in the list has position 1. no_of_members is counted and updated automatically. Caution: This List by default is NOT a selforganizing list. This means that by default an element that is being asked for is NOT put at front of the list. This only will be done while the flag sotl is set to FALSE(this is default). You can change this flag with the methods sotl_list() (sets the flag TRUE) and no_sotl_list() (sets the flag FALSE). The List is created by List *instance_variable = new List(sotl_flag); ^^^^^^^ sotl_flag is optional. For a normal double linked list this flag has not to be set. For a selforganizing list : TRUE Afterwards the elements can be inserted. The User of this list has to delete the elements which are inserted to the list by its own. The User has only have to work with the List class. */ #include typedef char BOOL; typedef unsigned long positiontype; #define TRUE 1 #define FALSE 0 #define RELATION_GREATER 1 #define RELATION_LESS 2 template class list_elem { private: positiontype pos; public: list_elem *next; list_elem *prev; Type *elem; BOOL isolate_list_elem(); // set next and prev links to NULL // TRUE if isolation has taken place, // else FALSE(for example if we're the // only element Type *get_elem() { return elem; }; void set_elem( Type *el ) { elem = el; }; positiontype get_pos() { return pos; }; void set_pos(positiontype p) { pos = p; }; list_elem *get_next() { return next; }; void set_next(list_elem *n) { next = n; }; list_elem *get_prev() { return prev; }; void set_prev(list_elem *p) { prev = p; }; list_elem(); list_elem(Type *el); ~list_elem(); }; template class List { private: list_elem *first; list_elem *last; list_elem *last_asked_list_elem; list_elem *remembered_elem; positiontype no_of_members; BOOL sotl; list_elem *get_list_elem_with_member ( Type *object ); list_elem *get_list_elem_at_pos ( positiontype pos ); list_elem *get_list_elem_at_pos_simple ( positiontype pos ); public: // general List functions //only use these functions if you know what you are doing !!! BEGINNING list_elem *get_first_list_elem() { return first; }; // do not use !!! list_elem *get_last_list_elem() { return last; }; // do not use !!! list_elem *get_current_list_elem(){ return last_asked_list_elem; };// do not use !!! void remember_current() { remembered_elem = last_asked_list_elem; }; void set_current_ARC(list_elem *t); //ARC = and remember current void set_remembered_as_current_ARC(); //ARC = and remember current //only use these functions if you know what you are doing !!! END void sotl_list() { sotl = TRUE; }; void no_sotl_list() { sotl = FALSE; }; positiontype get_no_of_members() { return no_of_members; }; positiontype insert_as_first ( Type *object ); positiontype insert_as_last ( Type *object ); //returns pos_no positiontype insert_after_current ( Type *object ); positiontype insert_before_current ( Type *object ); positiontype insert ( Type *object ); //returns pos_no Type *get_first (); Type *get_last (); Type *get_prev (); Type *get_next (); void remove_member_from_list ( Type *object ); //object won't be deleted void remove_first(); void remove_last(); List *duplicate_list ( Type *object ); // the list is duplicated // from the element given til the end. // For duplicating the whole list // object = get_first(). Only the list is // duplicated, not the elems. Caution: // In a sotl list the asked element is put // to the front. So first make a no_sotl_list() // ask and duplicate the list, and then make a // sotl_list() again. BOOL exchange_members ( Type *ex, Type *change ); /* following functions only make sense if our list is sorted by the address of our item inserted to the list. Caution: The list is only sorted if it's NOT a sotl list. So take care to create or set it to a no_sotl_list(). */ // Comment to insert_sorted_by_address_of_object: // The function returns the no_of_members in the list. // By default an object(the meaning here is that one object equals another, // if the address of both objects matches) can be inserted to the list // several times. If there is the need to insert an object only once // in the list, the flag duplicates has to be set to FALSE. // Finally the relation has to be set, by which the list is sorted. // The possiblilities are : RELATION_GREATER and RELATION_LESS positiontype insert_sorted_by_address_of_object( Type *object, int relation=RELATION_LESS, BOOL duplicates=TRUE ); // Comment to sort_list_join: // if an object found in List l is found in this list it won't be inserted // a second time. void sort_list_join ( List *l, int relation=RELATION_LESS); //Lists given as parameter //won't be affected // Comment to sort_list_subtract: // this function call only makes sense if the same element can be found // in both lists. The flag relation tells the method how this list(not list l) // is sorted. Both lists have to be sorted by the same relation. void sort_list_subtract ( List *l, int relation=RELATION_LESS); positiontype insert_at_pos_simple ( Type *object, positiontype pos ); //returns pos inserted to //doesn't refer to get_pos() Type *get_member_at_pos_simple( positiontype pos ); /* Following functions only make sense if the user takes care of the list as a numbered list. */ // Comment to insert_at_pos : // user does not have to call update_pos_no after insert_at_pos() positiontype insert_at_pos ( Type *object, positiontype pos ); //returns pos inserted to positiontype get_pos_of_member ( Type *object ); Type *get_member_at_pos ( positiontype pos ); BOOL remove_pos_from_list ( positiontype pos ); //element won't be deleted BOOL exchange_positions ( positiontype ex, positiontype change ); //exchange elems in list void update_pos_no( list_elem *elem, positiontype nr); //updates no from // the given elem with nr til last void update_pos_no(); //updates pos number from first to last List(BOOL so=FALSE); ~List(); }; /************************** Beginn list_elem ***************************/ template inline list_elem::list_elem() { pos = 0; next = NULL; prev = NULL; elem = NULL; } template inline list_elem::list_elem(Type *el) { pos = 0; next = NULL; prev = NULL; elem = el; } template inline list_elem::~list_elem() { isolate_list_elem(); } template inline BOOL list_elem::isolate_list_elem() { if (prev && next) //somewhere in the middle { prev->next = next; next->prev = prev; next = NULL; prev = NULL; } else if (prev) //we're the last { prev->next = NULL; prev = NULL; } else if (next) //we're the first { next->prev = NULL; next = NULL; } else return FALSE; return TRUE; } /************************** Ende list_elem **************************/ /************************** Beginn List ***************************/ template inline List::List(BOOL so) { first = last = last_asked_list_elem = remembered_elem = NULL; no_of_members = 0; sotl = so; } template inline List::~List() { list_elem *elem, *help; elem = first; while (elem) //delete every object in list { help = elem->next; delete elem; elem = help; } } template inline void List::set_current_ARC(list_elem *t) //ARC = and remember current { remembered_elem = last_asked_list_elem; last_asked_list_elem = t; } template inline void List::set_remembered_as_current_ARC() //ARC = and remember current { list_elem *mark; mark = last_asked_list_elem; last_asked_list_elem = remembered_elem; remembered_elem = mark; } template inline list_elem *List::get_list_elem_with_member( Type *object ) { list_elem *loc_elem; loc_elem = first; while (loc_elem && loc_elem->elem!=object) loc_elem = loc_elem->next; return loc_elem; } template inline list_elem *List::get_list_elem_at_pos( positiontype pos ) { list_elem *elem; if (pos < 1 || pos > no_of_members) return NULL; if (! last_asked_list_elem) { if (pos > no_of_members/2) { elem = last; while (elem && elem->get_pos() != pos) elem = elem->get_prev(); } else { elem = first; while (elem && elem->get_pos() != pos) elem = elem->next; } } else { elem = last_asked_list_elem; if (pos >= last_asked_list_elem->get_pos()) { while (elem && elem->get_pos() != pos) elem = elem->next; } else // pos < last_asked_list_elem->pos { while (elem && elem->get_pos() != pos) elem = elem->get_prev(); } } return elem; } template inline list_elem *List::get_list_elem_at_pos_simple( positiontype pos ) { list_elem *elem; positiontype counter = 1; if (pos < 1 || pos > no_of_members) return NULL; if (pos > no_of_members/2) { elem = last; counter = no_of_members; while (elem && counter != pos) { elem = elem->get_prev(); counter --; } } else { elem = first; while (elem && counter != pos) { elem = elem->next; counter ++; } } return elem; } template inline Type *List::get_first() { if (first) { last_asked_list_elem = first; return first->elem; } else return NULL; } template inline Type *List::get_last() { if (last && ! sotl) //behaviour of a normal linked list { last_asked_list_elem = last; return last->elem; } else if (last && sotl) { last_asked_list_elem = last->get_prev(); insert_as_first(last->elem); remove_last(); return first->elem; } else return NULL; } template inline Type *List::get_prev() { Type *result = NULL; list_elem *mark_prev; if (last_asked_list_elem){ if (!sotl) //behaviour of a normal linked list { last_asked_list_elem = last_asked_list_elem->get_prev(); if (last_asked_list_elem) result = last_asked_list_elem->elem; } else if (sotl) { if (last_asked_list_elem) { result = last_asked_list_elem->elem; mark_prev = last_asked_list_elem->get_prev(); remove_member_from_list( result ); insert_as_first( result ); last_asked_list_elem = mark_prev; } } } return result; } template inline Type *List::get_next() { Type *result = NULL; list_elem *mark_next; if (last_asked_list_elem){ if (!sotl) //behaviour of a normal linked list { last_asked_list_elem = last_asked_list_elem->next; if (last_asked_list_elem) result = last_asked_list_elem->elem; } else if (sotl) { if (last_asked_list_elem) { result = last_asked_list_elem->elem; mark_next = last_asked_list_elem->next; remove_member_from_list( result ); insert_as_first( result ); last_asked_list_elem = mark_next; } } } return result; } template inline positiontype List::insert_as_first( Type *object ) { list_elem *help = NULL; if (! first) // create first element { // in list first = new list_elem( object ); first->set_pos(1); last = first; } else { help = new list_elem( object ); help->set_pos(1); //update by USER !!! help->set_next(first); first->set_prev(help); first = help; } no_of_members ++; return 1; } template inline positiontype List::insert_as_last( Type *object ) { list_elem *help = NULL; if (! first) // create first element { // in list first = new list_elem( object ); first->set_pos(1); last = first; } else { help = new list_elem( object ); help->set_pos( no_of_members+1 ); help->set_prev(last); last->set_next(help); last = help; } no_of_members ++; return no_of_members; } template inline positiontype List::insert_after_current( Type *object ) { list_elem *help = NULL; positiontype result = 0; if (last_asked_list_elem){ if (!last_asked_list_elem->get_next()){ result = insert_as_last( object ); }else{ help = new list_elem( object ); help->set_pos( last_asked_list_elem->get_pos() + 1 ); help->set_prev(last_asked_list_elem); help->set_next( last_asked_list_elem->get_next() ); help->get_next()->set_prev(help); last_asked_list_elem->set_next( help ); last_asked_list_elem = help; no_of_members ++; result = no_of_members; } } return result; } template inline positiontype List::insert_before_current( Type *object ) { list_elem *help = NULL; positiontype result = 0; if (last_asked_list_elem){ if (!last_asked_list_elem->get_prev()){ result= insert_as_first( object ); }else{ help = new list_elem( object ); help->set_pos( last_asked_list_elem->get_pos() - 1 ); help->set_next(last_asked_list_elem); help->set_prev( last_asked_list_elem->get_prev() ); help->get_prev()->set_next(help); last_asked_list_elem->set_prev( help ); last_asked_list_elem = help; no_of_members ++; result = no_of_members; } } return result; } template inline positiontype List::insert( Type *object ) { return insert_as_first( object ); } template inline positiontype List::insert_at_pos_simple( Type *object, positiontype temp_pos ) //returns pos inserted to { list_elem *elem, *new_elem; if (temp_pos<=1) { insert_as_first( object ); return 1; } else if (temp_pos>no_of_members) { insert_as_last( object ); return no_of_members; } else { elem = get_list_elem_at_pos_simple( temp_pos ); new_elem = new list_elem; new_elem->elem = object; new_elem->set_pos(temp_pos); new_elem->prev = elem->prev; new_elem->next = elem; elem->prev->next = new_elem; elem->prev = new_elem; no_of_members ++; return temp_pos; } } template inline void List::remove_member_from_list( Type *object ) { list_elem *loc_elem; if (last_asked_list_elem && last_asked_list_elem->elem==object) { if (! last_asked_list_elem->next ) //we're the last last = last_asked_list_elem->get_prev(); if (! last_asked_list_elem->get_prev() ) //we're the first first = last_asked_list_elem->next; delete last_asked_list_elem; if (no_of_members == 1) first = last = NULL; last_asked_list_elem = NULL; } else { if (last_asked_list_elem && last_asked_list_elem->next && last_asked_list_elem->next->elem == object ) loc_elem = last_asked_list_elem->next; else if (last_asked_list_elem && last_asked_list_elem->get_prev() && last_asked_list_elem->get_prev()->elem == object ) loc_elem = last_asked_list_elem->get_prev(); else loc_elem = get_list_elem_with_member( object ); if (! loc_elem) return; if (! loc_elem->next ) //we're the last last = loc_elem->get_prev(); if (! loc_elem->get_prev() ) //we're the first first = loc_elem->next; delete loc_elem; } no_of_members --; } template inline void List::remove_first() { list_elem *new_first; if (no_of_members <= 1) //case 0 or 1 { delete first; first = last = last_asked_list_elem = NULL; no_of_members = 0; } else { new_first = first->next; delete first; first = new_first; no_of_members --; } } template inline void List::remove_last() { list_elem *new_last; if (no_of_members <= 1) //case 0 or 1 { delete last; first = last = last_asked_list_elem = NULL; no_of_members = 0; } else { new_last = last->get_prev(); delete last; last = new_last; no_of_members --; } } template inline positiontype List::insert_sorted_by_address_of_object( Type *object, int relation, BOOL duplicates ) //falls object schon vorhanden, dann { list_elem *help = NULL, *l_help; if (! first) // create first element { // in list first = new list_elem( object ); first->set_pos(1); last = first; } else { if (relation == RELATION_GREATER) // search for a place to insert to { // objects which are created later, l_help = first; // have a greater address !!! while (l_help && object < l_help->elem) l_help = l_help->next; } else //RELATION_LESS { l_help = last; while (l_help && object < l_help->elem) l_help = l_help->get_prev(); } if (l_help && object == l_help->elem && ! duplicates ) //Element already is in the list return no_of_members; help = new list_elem( object ); // generate new element if (! l_help) //new element in front/at end { if (relation == RELATION_GREATER) { last->set_next(help); help->set_prev(last); last = help; } else //RELATION_LESS { first->set_prev(help); help->set_next(first); first = help; } } else { if (relation == RELATION_GREATER) { if (first == l_help) first = help; help->set_next(l_help); help->set_prev(l_help->get_prev()); } else //RELATION_LESS { if (last == l_help) last = help; help->set_prev(l_help); help->set_next(l_help->next); } if (help->next) help->next->set_prev(help); if (help->get_prev()) help->get_prev()->set_next(help); } } no_of_members ++; return no_of_members; } template inline void List::sort_list_join( List *l, int relation) { list_elem *this_list = first, *join_list, *new_elem; if (! l || ! l->get_no_of_members()) return; join_list = l->get_first_list_elem(); while (this_list && join_list) { if ( this_list->elem == join_list->elem ) { this_list = this_list->next; join_list = join_list->next; } else { if ( ( relation == RELATION_GREATER && this_list->elem > join_list->elem) || ( relation == RELATION_LESS && this_list->elem < join_list->elem) ) this_list = this_list->next; else { new_elem = new list_elem( join_list->elem ); new_elem->set_prev( this_list->get_prev() ); new_elem->set_next( this_list ); this_list->set_prev( new_elem ); if (new_elem->get_prev()) new_elem->get_prev()->set_next( new_elem ); else first = new_elem; join_list = join_list->next; no_of_members ++; } } } if (! join_list || (!this_list && !join_list)) return; if (!this_list) { while(join_list) { new_elem = new list_elem( join_list->elem ); new_elem->set_prev( last ); if (last) last->set_next( new_elem ); if (!first) first = new_elem; last = new_elem; no_of_members ++; join_list = join_list->next; } } } template inline void List::sort_list_subtract( List *l, int relation ) { list_elem *this_list = first, *join_list = l->get_first_list_elem(), *mark; while (this_list && join_list) { if ( ( relation == RELATION_GREATER && this_list->elem > join_list->elem) || ( relation == RELATION_LESS && this_list->elem < join_list->elem) ) this_list = this_list->next; else if ( ( relation == RELATION_GREATER && this_list->elem < join_list->elem) || ( relation == RELATION_LESS && this_list->elem > join_list->elem) ) join_list = join_list->next; else if (this_list->elem == join_list->elem) //same element => delete from this_list { if (this_list == first) first = this_list->next; if (this_list == last) last = this_list->get_prev(); mark = this_list->next; delete this_list; this_list = mark; join_list = join_list->next; no_of_members --; if (! no_of_members) { last_asked_list_elem = NULL; return; } } } } template inline List *List::duplicate_list( Type *object ) { list_elem *help_l = first; List *new_list = NULL; if (last_asked_list_elem->elem == object) help_l = last_asked_list_elem; else help_l = get_list_elem_with_member( object ); if (help_l) new_list = new List; while (help_l) { new_list->insert_as_last(help_l->elem); help_l = help_l->next; } return new_list; } template inline void List::update_pos_no( list_elem *elem, positiontype nr ) { list_elem *mark; if (!elem) return; elem->set_pos(nr++); mark = elem->next; while (mark) { mark->set_pos(nr++); mark = mark->next; } } template inline void List::update_pos_no() { update_pos_no( first, 1); } template inline BOOL List::exchange_members( Type *ex, Type *change ) { list_elem *one, *two; BOOL result = FALSE; while (1){ if (!ex || !change) break; if (last_asked_list_elem && last_asked_list_elem->elem == ex) one = last_asked_list_elem; else one = get_list_elem_with_member( ex ); if (! one) break; if (last_asked_list_elem && last_asked_list_elem->elem == change) two = last_asked_list_elem; else two = get_list_elem_with_member( change ); if (!two) break; one->set_elem(change); two->set_elem(ex); result = TRUE; break; } return result; } template inline BOOL List::exchange_positions( positiontype ex, positiontype change ) { list_elem *one, *two; Type *dummy; BOOL result = FALSE; while(1){ if ( ex < 1 || ex > no_of_members || change < 1 || change > no_of_members) break; one = get_list_elem_at_pos( ex ); if (! one) break; two = get_list_elem_at_pos( change ); if (!two) break; dummy = one->elem; one->elem = two->elem; two->elem = dummy; result = TRUE; break; } return result; } template inline positiontype List::get_pos_of_member( Type *object ) { list_elem *elem; if (!object) return 0; if (last_asked_list_elem && last_asked_list_elem->elem == object) return last_asked_list_elem->get_pos(); else { elem = first; while (elem && elem->elem != object) elem = elem->next; if (elem) return elem->get_pos(); else return 0; } } template inline positiontype List::insert_at_pos( Type *object, positiontype pos ) //returns pos inserted to { list_elem *elem, *new_elem; positiontype result ; elem = get_list_elem_at_pos( pos ); if (! elem) { insert_as_last( object ); result = last->get_pos(); } else { new_elem = new list_elem( object ); new_elem->set_prev(elem->get_prev()); new_elem->set_next(elem); if (elem->get_prev()) elem->get_prev()->set_next(new_elem); elem->set_prev(new_elem); if (first == elem) first = new_elem; update_pos_no ( new_elem, pos ); result = pos; } return result; } template inline Type *List::get_member_at_pos( positiontype pos ) { list_elem *elem; elem = get_list_elem_at_pos( pos ); if (elem) { last_asked_list_elem = elem; return elem->elem; } else return NULL; } template inline Type *List::get_member_at_pos_simple( positiontype pos ) { list_elem *elem; elem = get_list_elem_at_pos_simple( pos ); if (elem) { last_asked_list_elem = elem; return elem->elem; } else return NULL; } template inline BOOL List::remove_pos_from_list( positiontype pos ) { list_elem *loc_elem; BOOL result = FALSE; while(1){ if (pos < 1 || pos > no_of_members) break; loc_elem = last_asked_list_elem; if (loc_elem && loc_elem->get_pos() == pos) last_asked_list_elem = NULL; else { if (! (loc_elem = get_list_elem_at_pos( pos ))) break; } if (last == loc_elem) last = last->get_prev(); if (first == loc_elem) first = first->next; delete loc_elem; no_of_members --; result = TRUE; break; } return result; } /************************** Ende List **************************/ #else #error SoTl.hxx included twice #endif ./arbsrc_9167/NALIGNER/ali_aligner.cxx0000644012664100000130000012726711440742777017364 0ustar arb_buildcoders#include #include "ali_aligner.hxx" /***************************************************************************** * * STRUCT: ali_aligner_dellist * *****************************************************************************/ /* * increase all multi gaps and update the apropriate costs */ float ali_aligner_dellist::update(unsigned long position) { float minimal_costs = 0.0; ali_aligner_dellist_elem *elem; if (!list_of_dels.is_empty()) { elem = list_of_dels.first(); elem->costs += profile->w_del(elem->start,position); minimal_costs = elem->costs; while (list_of_dels.is_next()) { elem = list_of_dels.next(); elem->costs += profile->w_del(elem->start,position); if (elem->costs < minimal_costs) minimal_costs = elem->costs; } } return minimal_costs; } /* * select all gaps with defined costs and put them together * inside an ALI_TARRAY */ ALI_TARRAY *ali_aligner_dellist::starts(float costs, unsigned long y_offset) { unsigned long counter = 0; ali_aligner_dellist_elem *elem; ALI_TARRAY *array = 0; ali_pathmap_up_pointer up; if (!list_of_dels.is_empty()) { /* * Count all elements with given costs */ elem = list_of_dels.first(); if (elem->costs == costs) counter++; while (list_of_dels.is_next()) { elem = list_of_dels.next(); if (elem->costs == costs) counter++; } /* * copy all elements with given costs to an array */ array = new ALI_TARRAY(counter); counter = 0; elem = list_of_dels.first(); if (elem->costs == costs) { up.start = elem->start - y_offset; up.operation = elem->operation; array->set(counter++,up); } while (list_of_dels.is_next()) { elem = list_of_dels.next(); if (elem->costs == costs) { up.start = elem->start - y_offset; up.operation = elem->operation; array->set(counter++,up); } } } return array; } /* * optimize the list of multi gaps. * delete all gaps which costs will ALLWAYS be higher than others */ void ali_aligner_dellist::optimize(unsigned long position) { ali_aligner_dellist_elem *ref, *akt; int del_flag; if (!list_of_dels.is_empty()) { ref = list_of_dels.first(); while (ref) { del_flag = 0; list_of_dels.mark_element(); if (list_of_dels.is_next()) akt = list_of_dels.next(); else akt = 0; while (akt) { if (akt->costs > ref->costs && profile->gap_percent(akt->start,position) <= profile->gap_percent(ref->start,position)) { del_flag = 1; } else { if (ref->costs > akt->costs && profile->gap_percent(ref->start,position) <= profile->gap_percent(akt->start,position)) { ref->costs = akt->costs; ref->start = akt->start; ref->operation = akt->operation; del_flag = 1; } } if (del_flag) { delete akt; if (list_of_dels.is_next()) { list_of_dels.delete_element(); akt = list_of_dels.current(); } else { list_of_dels.delete_element(); akt = 0; } } else { if (list_of_dels.is_next()) akt = list_of_dels.next(); else akt = 0; } } list_of_dels.marked(); if (list_of_dels.is_next()) ref = list_of_dels.next(); else ref = 0; } } } /***************************************************************************** * * CLASS: ALI_ALIGNER * * PRIVAT PART * *****************************************************************************/ GB_INLINE float ALI_ALIGNER::minimum2(float v1, float v2) { return (v1 < v2) ? v1 : v2; } GB_INLINE float ALI_ALIGNER::minimum3(float v1, float v2, float v3) { return (v1 < v2) ? ((v1 < v3) ? v1 : v3) : ((v2 < v3) ? v2 : v3); } GB_INLINE void ALI_ALIGNER::calculate_first_column_first_cell( ali_aligner_cell *akt_cell, ali_aligner_dellist *del_list) { del_list->make_empty(); /* * Substitution part */ akt_cell->d1 = profile->w_ins_cheap(start_x,start_y) + profile->w_del_cheap(start_y); akt_cell->d2 = profile->w_sub(start_y,start_x); akt_cell->d3 = akt_cell->d1; del_list->insert(start_y,akt_cell->d1,ALI_LEFT); } GB_INLINE void ALI_ALIGNER::calculate_first_column_cell( ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, unsigned long pos_y, ali_aligner_dellist *del_list) { float v1, v2, v3; float costs; unsigned long positiony; positiony = start_y + pos_y; /* * Deletion part */ costs = profile->w_del(positiony,positiony); v1 = del_list->update(positiony); v2 = up_cell->d2 + costs; v3 = up_cell->d3 + costs; akt_cell->d1 = minimum3(v1,v2,v3); if (v1 == akt_cell->d1) path_map[0]->set(0,pos_y,ALI_LUP,del_list->starts(v1,start_y)); if (v2 == akt_cell->d1) path_map[0]->set(0,pos_y,ALI_DIAG); if (v3 == akt_cell->d1) path_map[0]->set(0,pos_y,ALI_LEFT); if (v2 < v3) { del_list->insert(positiony,v2,ALI_DIAG); } else { if (v3 < v2) del_list->insert(positiony,v3,ALI_LEFT); else del_list->insert(positiony,v2,ALI_DIAG | ALI_LEFT); } del_list->optimize(positiony); /* * Substitution part */ akt_cell->d2 = profile->w_del_multi_cheap(start_y,positiony - 1) + profile->w_sub(positiony,start_x); /* * Insertation part */ akt_cell->d3 = profile->w_del_multi_cheap(start_y,positiony) + profile->w_ins(start_x,positiony); } void ALI_ALIGNER::calculate_first_column( ali_aligner_column *akt_col, ali_aligner_dellist *del_list) { unsigned long cell; calculate_first_column_first_cell(&(*akt_col->cells)[0],del_list); for (cell = 1; cell < akt_col->column_length; cell++) { calculate_first_column_cell(&(*akt_col->cells)[cell - 1], &(*akt_col->cells)[cell], cell, del_list); } last_cell->update_left(&(*akt_col->cells)[akt_col->column_length - 1], 0 + 1, start_x, end_x); path_map[0]->optimize(0); } GB_INLINE void ALI_ALIGNER::calculate_first_cell( ali_aligner_cell *left_cell, ali_aligner_cell *akt_cell, unsigned long pos_x, ali_aligner_dellist *del_list) { float v1, v2, v3; unsigned long positionx; positionx = start_x + pos_x; del_list->make_empty(); /* * Deletion part */ akt_cell->d1 = profile->w_ins_multi_cheap(start_x,positionx) + profile->w_del(start_y,start_y); del_list->insert(start_y,akt_cell->d1,ALI_LEFT); /* * Substitution part */ akt_cell->d2 = profile->w_ins_multi_cheap(start_x,positionx - 1) + profile->w_sub(start_y,positionx); /* * Insertation part */ v1 = left_cell->d1 + profile->w_ins(positionx,start_y); v2 = left_cell->d2 + profile->w_ins(positionx,start_y); v3 = left_cell->d3 + profile->w_ins_cheap(positionx,start_y); akt_cell->d3 = minimum3(v1,v2,v3); if (v1 == akt_cell->d3) path_map[2]->set(pos_x,0,ALI_UP); if (v2 == akt_cell->d3) path_map[2]->set(pos_x,0,ALI_DIAG); if (v3 == akt_cell->d3) path_map[2]->set(pos_x,0,ALI_LEFT); } GB_INLINE void ALI_ALIGNER::calculate_cell( ali_aligner_cell *diag_cell, ali_aligner_cell *left_cell, ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, unsigned long pos_x, unsigned long pos_y, ali_aligner_dellist *del_list) { float v1, v2, v3; float costs; unsigned long positionx, positiony; positionx = start_x + pos_x; positiony = start_y + pos_y; /* * Deletion part */ costs = profile->w_del(positiony,positiony); v1 = del_list->update(positiony); v2 = up_cell->d2 + costs; v3 = up_cell->d3 + costs; akt_cell->d1 = minimum3(v1,v2,v3); if (v1 == akt_cell->d1) path_map[0]->set(pos_x,pos_y,ALI_LUP,del_list->starts(v1,start_y)); if (v2 == akt_cell->d1) path_map[0]->set(pos_x,pos_y,ALI_DIAG); if (v3 == akt_cell->d1) path_map[0]->set(pos_x,pos_y,ALI_LEFT); if (v2 < v3) del_list->insert(positiony,v2,ALI_DIAG); else { if (v3 < v2) del_list->insert(positiony,v3,ALI_LEFT); else del_list->insert(positiony,v2,ALI_DIAG | ALI_LEFT); } del_list->optimize(positiony); /* * Substitution part */ costs = profile->w_sub(positiony,positionx); v1 = diag_cell->d1 + costs; v2 = diag_cell->d2 + costs; v3 = diag_cell->d3 + costs; akt_cell->d2 = minimum3(v1,v2,v3); if (v1 == akt_cell->d2) path_map[1]->set(pos_x,pos_y,ALI_UP); if (v2 == akt_cell->d2) path_map[1]->set(pos_x,pos_y,ALI_DIAG); if (v3 == akt_cell->d2) path_map[1]->set(pos_x,pos_y,ALI_LEFT); /* * Insertation part */ costs = profile->w_ins(positionx,positiony); v1 = left_cell->d1 + costs; v2 = left_cell->d2 + costs; v3 = left_cell->d3 + profile->w_ins_cheap(positionx,positiony); akt_cell->d3 = minimum3(v1,v2,v3); if (v1 == akt_cell->d3) path_map[2]->set(pos_x,pos_y,ALI_UP); if (v2 == akt_cell->d3) path_map[2]->set(pos_x,pos_y,ALI_DIAG); if (v3 == akt_cell->d3) path_map[2]->set(pos_x,pos_y,ALI_LEFT); } void ALI_ALIGNER::calculate_column( ali_aligner_column *prev_col, ali_aligner_column *akt_col, unsigned long pos_x, ali_aligner_dellist *del_list) { unsigned long cell; calculate_first_cell(&(*prev_col->cells)[0],&(*akt_col->cells)[0], pos_x,del_list); for (cell = 1; cell < akt_col->column_length; cell++) { calculate_cell(&(*prev_col->cells)[cell - 1], &(*prev_col->cells)[cell], &(*akt_col->cells)[cell - 1], &(*akt_col->cells)[cell], pos_x, cell, del_list); } if (pos_x < end_x) { last_cell->update_left(&(*akt_col->cells)[akt_col->column_length - 1], pos_x + 1, start_x, end_x); } path_map[0]->optimize(pos_x); } void ALI_ALIGNER::calculate_matrix(void) { ali_aligner_dellist *del_list; ali_aligner_column *akt_col, *prev_col, *h_col; unsigned long col; del_list = new ali_aligner_dellist(profile); prev_col = new ali_aligner_column(end_y - start_y + 1); akt_col = new ali_aligner_column(end_y - start_y + 1); last_cell->update_border(start_x,end_x,start_y,end_y); calculate_first_column(prev_col,del_list); for (col = 1; col <= end_x - start_x; col++) { calculate_column(prev_col,akt_col,col,del_list); h_col = prev_col; prev_col = akt_col; akt_col = h_col; } last_cell->update_up(prev_col,start_y,end_y); delete del_list; delete prev_col; delete akt_col; } /* * generate a result sequence from an stack of operations */ void ALI_ALIGNER::generate_result(ALI_TSTACK *stack) { /***** unsigned long ic, sc, dc; *****/ ALI_MAP *map; long seq_pos, dest_pos; long i; map = new ALI_MAP(start_x,end_x,start_y,end_y); /***************************** ic = sc = dc = 0; for (i = (long) stack->akt_size() - 1; i >= 0; i--) switch(stack->get(i)) { case ALI_ALIGNER_INS: ic++; break; case ALI_ALIGNER_SUB: sc++; break; case ALI_ALIGNER_DEL: dc++; break; default: printf("*"); } printf("\nStack content: %d * I, %d * S, %d * D\n",ic,sc,dc); if (sc + ic != end_x - start_x + 1) printf("ACHTUNG: Insertionen und Substitutionen nicht passend zu Sequenzlaenge (%d)\n",end_x - start_x + 1); *****************************/ seq_pos = start_x - 1; dest_pos = 0 - 1; i = (long) stack->akt_size() - 1; /* * handle first part of path */ switch (stack->get(i)) { case ALI_ALIGNER_INS: for (; stack->get(i) == ALI_ALIGNER_INS; i--) { seq_pos++; map->set(seq_pos,0,1); } break; case ALI_ALIGNER_DEL: for (; stack->get(i) == ALI_ALIGNER_DEL; i--) dest_pos++; break; } /* * handle rest of path */ for (; i >= 0; i--) { switch(stack->get(i)) { case ALI_ALIGNER_INS: seq_pos++; map->set(seq_pos,dest_pos,1); break; case ALI_ALIGNER_SUB: seq_pos++; dest_pos++; map->set(seq_pos,dest_pos,0); break; case ALI_ALIGNER_DEL: dest_pos++; break; default: ali_fatal_error("Unexpected value", "ALI_ALIGNER::generate_result()"); } } if ((unsigned long)(seq_pos) != map->last_base()) ali_error("Stack and map length inconsistent", "ALI_ALIGNER::generate_result()"); if (result_counter > 0) result_counter--; result.insert(map); } /* * Fill the stack with initial DELs or INSs */ void ALI_ALIGNER::mapper_pre(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y, unsigned char operation, int random_mapping_flag) { unsigned long random; int plane = 0; if ((pos_x < end_x - start_x && pos_y < end_y - start_y) || (pos_x > end_x - start_x) || (pos_y > end_y - start_y)) ali_fatal_error("Unexpected Values","ALI_ALIGNRE::mapper_pre"); if (pos_x < end_x - start_x) stack->push(ALI_ALIGNER_INS,end_x - start_x - pos_x); if (pos_y < end_y - start_y) stack->push(ALI_ALIGNER_DEL,end_y - start_y - pos_y); if (random_mapping_flag == 1) { random = GB_random(6); switch(random) { case 0: if (operation & ALI_UP) { plane = 0; } else { if (operation & ALI_DIAG) plane = 1; else plane = 2; } break; case 1: if (operation & ALI_UP) { plane = 0; } else { if (operation & ALI_LEFT) plane = 2; else plane = 1; } break; case 2: if (operation & ALI_DIAG) { plane = 1; } else { if (operation & ALI_UP) plane = 0; else plane = 2; } break; case 3: if (operation & ALI_DIAG) { plane = 1; } else { if (operation & ALI_LEFT) plane = 2; else plane = 0; } break; case 4: if (operation & ALI_LEFT) { plane = 2; } else { if (operation & ALI_UP) plane = 0; else plane = 1; } break; case 5: if (operation & ALI_LEFT) { plane = 2; } else { if (operation & ALI_DIAG) plane = 1; else plane = 0; } break; } mapper_random(stack,plane,pos_x,pos_y); } else { if (operation & ALI_UP) mapper(stack,0,pos_x,pos_y); if (operation & ALI_DIAG) mapper(stack,1,pos_x,pos_y); if (operation & ALI_LEFT) mapper(stack,2,pos_x,pos_y); } if (pos_x < end_x - start_x) stack->pop(end_x - start_x - pos_x); if (pos_y < end_y - start_y) stack->pop(end_y - start_y - pos_y); } /* * Fill the stack with rest DELs or INSs */ void ALI_ALIGNER::mapper_post(ALI_TSTACK *stack, unsigned long ins_nu, unsigned long del_nu) { if (ins_nu > 0 && del_nu > 0) ali_fatal_error("Unexpected values", "ALI_ALIGNER::mapper_post()"); if (ins_nu > 0) { stack->push(ALI_ALIGNER_INS,ins_nu); generate_result(stack); stack->pop(ins_nu); } else if (del_nu > 0) { stack->push(ALI_ALIGNER_DEL,del_nu); generate_result(stack); stack->pop(del_nu); } else generate_result(stack); } /* * Fill the stack with a random path (of path matrix) */ void ALI_ALIGNER::mapper_random(ALI_TSTACK *stack, int plane, unsigned long pos_x, unsigned long pos_y) { unsigned long random; unsigned long stack_counter = 0; unsigned char value; ALI_TARRAY *up_pointer; ali_pathmap_up_pointer up; unsigned long next_x, next_y; next_x = pos_x; next_y = pos_y; while (next_x <= pos_x && next_y <= pos_y) { stack_counter++; path_map[plane]->get(next_x,next_y,&value,&up_pointer); if (value == 0 && next_x != 0 && next_y != 0) ali_fatal_error("Unexpected value (1)", "ALI_ALIGNER::mapper_random()"); /* * Set the operation */ switch(plane) { case 0: stack->push(ALI_ALIGNER_DEL); next_y = next_y - 1; break; case 1: stack->push(ALI_ALIGNER_SUB); next_x = next_x - 1; next_y = next_y - 1; break; case 2: stack->push(ALI_ALIGNER_INS); next_x = next_x - 1; break; default: ali_fatal_error("Unexpected plane","ALI_ALIGNER::mapper_random()"); } /* * special handling for LUP values */ if (value & ALI_LUP) { if (plane != 0) ali_fatal_error("LUP only in plane 0 allowed", "ALI_ALIGNER::mapper_random()"); random = GB_random(2); /* * Go the LUP way */ if (random == 0 || value == ALI_LUP) { /* * Take a pointer by random */ random = GB_random(up_pointer->size()); up = up_pointer->get(random); if (next_y < up.start) ali_fatal_error("Unexpected LUP reference", "ALI_ALIGNER::mapper_random()"); if (up.operation & ALI_UP || up.operation & ALI_LUP) ali_fatal_error("Unexpected LUP operation", "ALI_ALIGNER::mapper_random()"); if (up.start <= next_y) { stack->push(ALI_ALIGNER_DEL,next_y - up.start + 1); stack_counter += (next_y - up.start + 1); } next_y = up.start - 1; value = up.operation; } } /* * Take the next plane by random */ random = GB_random(6); switch(random) { case 0: if (value & ALI_UP) { plane = 0; } else { if (value & ALI_DIAG) { plane = 1; } else { plane = 2; } } break; case 1: if (value & ALI_UP) { plane = 0; } else { if (value & ALI_LEFT) { plane = 2; } else { plane = 1; } } break; case 2: if (value & ALI_DIAG) { plane = 1; } else { if (value & ALI_UP) { plane = 0; } else { plane = 2; } } break; case 3: if (value & ALI_DIAG) { plane = 1; } else { if (value & ALI_LEFT) { plane = 2; } else { plane = 0; } } break; case 4: if (value & ALI_LEFT) { plane = 2; } else { if (value & ALI_UP) { plane = 0; } else { plane = 1; } } break; case 5: if (value & ALI_LEFT) { plane = 2; } else { if (value & ALI_DIAG) { plane = 1; } else { plane = 0; } } break; default: ali_fatal_error("Unexpected random value" "ALI_ALIGNER::mapper_random()"); } } if (next_x <= pos_x) { mapper_post(stack,next_x + 1,0); } else { if (next_y <= pos_y) { mapper_post(stack,0,next_y + 1); } else { mapper_post(stack,0,0); } } if (stack_counter > 0) stack->pop(stack_counter); } /* * Fill the stack with a deterministic path (of path matrix) */ void ALI_ALIGNER::mapper(ALI_TSTACK *stack, int plane, unsigned long pos_x, unsigned long pos_y) { unsigned long l; unsigned char value; ALI_TARRAY *up_pointer; ali_pathmap_up_pointer up; unsigned long next_x, next_y; /* * set the operation */ switch(plane) { case 0: stack->push(ALI_ALIGNER_DEL); next_x = pos_x; next_y = pos_y - 1; break; case 1: stack->push(ALI_ALIGNER_SUB); next_x = pos_x - 1; next_y = pos_y - 1; break; case 2: stack->push(ALI_ALIGNER_INS); next_x = pos_x - 1; next_y = pos_y; break; default: ali_fatal_error("Unexpected plane","ALI_ALIGNER::mapper()"); } /* * Check if mapping found a end */ if (next_x > pos_x || next_y > pos_y) { if (next_y <= pos_y) { if (plane == 0) ali_fatal_error("Unexpected plane (1)", "ALI_ALIGNER::mapper()"); mapper_post(stack,0,next_y + 1); } else { if (next_x <= pos_x) { if (plane == 2) ali_fatal_error("Unexpected plane (2)", "ALI_ALIGNER::mapper()"); mapper_post(stack,next_x + 1,0); } else { mapper_post(stack,0,0); } } } else { path_map[plane]->get(pos_x,pos_y,&value,&up_pointer); if (value & ALI_UP) { mapper(stack, 0, next_x, next_y); } if (value & ALI_DIAG) { mapper(stack, 1, next_x, next_y); } if (value & ALI_LEFT) { mapper(stack, 2, next_x, next_y); } /* * Special handling for long up-pointers */ if (value & ALI_LUP) { if (plane != 0) printf("LUP should never be in plane %d\n",plane); for (l = 0; l < up_pointer->size(); l++) { up = up_pointer->get(l); if (next_y < up.start) { printf("LUP reference incorrect %d:(%ld,%ld) %ld > %ld\n", plane,pos_x,pos_y,next_y,up.start); } if (up.operation & ALI_UP || up.operation & ALI_LUP) { printf("LIP reference incorrect %d: wrong operation %d\n", plane,up.operation); } if (up.start <= next_y) stack->push(ALI_ALIGNER_DEL,next_y - up.start + 1); if (up.operation & ALI_DIAG) mapper(stack, 1, next_x, up.start - 1); if (up.operation & ALI_LEFT) mapper(stack, 2, next_x, up.start - 1); if (up.start <= next_y) stack->pop(next_y - up.start + 1); } } } stack->pop(); } /* * Select a random entry point from a list of valid entry points */ void ALI_ALIGNER::mapper_pre_random_up(ALI_TSTACK *stack, ALI_TLIST *list) { unsigned long number; ali_pathmap_up_pointer p; number = GB_random(list->cardinality()); if (list->is_empty()) ali_fatal_error("Empty list", "ALI_ALIGNER::mapper_pre_random_up()"); p = list->first(); for (; number > 0; number--) { if (!list->is_next()) ali_fatal_error("List is inconsistent", "ALI_ALIGNER::mapper_pre_random_up()"); p = list->next(); } mapper_pre(stack, end_x - start_x, p.start - 1, p.operation, 1); } /* * Select a random entry point from a list of valid entry points */ void ALI_ALIGNER::mapper_pre_random_left( ALI_TSTACK *stack, ALI_TLIST *list) { unsigned long number; ali_pathmap_up_pointer p; number = GB_random(list->cardinality()); if (list->is_empty()) ali_fatal_error("Empty list", "ALI_ALIGNER::mapper_pre_random_left()"); p = list->first(); for (; number > 0; number--) { if (!list->is_next()) ali_fatal_error("List is inconsistent", "ALI_ALIGNER::mapper_pre_random_left()"); p = list->next(); } mapper_pre(stack, p.start - 1, end_y - start_y, p.operation, 1); } /* * Find on path by random and make a map */ void ALI_ALIGNER::make_map_random(ALI_TSTACK *stack) { unsigned long random; float min; min = minimum3(last_cell->d1,last_cell->d2,last_cell->d3); random = GB_random(6); switch(random) { case 0: if (last_cell->d1 == min) { mapper_pre_random_up(stack,&last_cell->up_starts); } else { if (last_cell->d2 == min) { mapper_random(stack, 1, end_x-start_x, end_y-start_y); } else { if (last_cell->d3 == min) { mapper_pre_random_left(stack,&last_cell->left_starts); } } } break; case 1: if (last_cell->d1 == min) { mapper_pre_random_up(stack,&last_cell->up_starts); } else { if (last_cell->d3 == min) { mapper_pre_random_left(stack,&last_cell->left_starts); } else { if (last_cell->d2 == min) { mapper_random(stack, 1, end_x-start_x, end_y-start_y); } } } break; case 2: if (last_cell->d2 == min) { mapper_random(stack, 1, end_x-start_x, end_y-start_y); } else { if (last_cell->d1 == min) { mapper_pre_random_up(stack,&last_cell->up_starts); } else { if (last_cell->d3 == min) { mapper_pre_random_left(stack,&last_cell->left_starts); } } } break; case 3: if (last_cell->d2 == min) { mapper_random(stack, 1, end_x-start_x, end_y-start_y); } else { if (last_cell->d3 == min) { mapper_pre_random_left(stack,&last_cell->left_starts); } else { if (last_cell->d1 == min) { mapper_pre_random_up(stack,&last_cell->up_starts); } } } break; case 4: if (last_cell->d3 == min) { mapper_pre_random_left(stack,&last_cell->left_starts); } else { if (last_cell->d2 == min) { mapper_random(stack, 1, end_x-start_x, end_y-start_y); } else { if (last_cell->d1 == min) { mapper_pre_random_up(stack,&last_cell->up_starts); } } } break; case 5: if (last_cell->d3 == min) { mapper_pre_random_left(stack,&last_cell->left_starts); } else { if (last_cell->d1 == min) { mapper_pre_random_up(stack,&last_cell->up_starts); } else { if (last_cell->d2 == min) { mapper_random(stack, 1, end_x-start_x, end_y-start_y); } } } break; } } /* * find ALL paths and make the apropriate maps */ void ALI_ALIGNER::make_map_systematic(ALI_TSTACK *stack) { float min; ali_pathmap_up_pointer p; ALI_TLIST *list; min = minimum3(last_cell->d1,last_cell->d2,last_cell->d3); if (last_cell->d1 == min) { list = &(last_cell->up_starts); if (!list->is_empty()) { p = list->first(); mapper_pre(stack, end_x - start_x, p.start - 1, p.operation); while (list->is_next()) { p = list->next(); mapper_pre(stack, end_x - start_x, p.start - 1, p.operation); } } } if (last_cell->d2 == min) { mapper(stack, 1, end_x - start_x, end_y - start_y); } if (last_cell->d3 == min) { list = &(last_cell->left_starts); if (!list->is_empty()) { p = list->first(); mapper_pre(stack, p.start - 1, end_y - start_y, p.operation); while (list->is_next()) { p = list->next(); mapper_pre(stack, p.start - 1, end_y - start_y, p.operation); } } } } /* * make the list of result maps */ void ALI_ALIGNER::make_map(void) { ALI_TSTACK *stack; stack = new ALI_TSTACK(end_x - start_x + end_y - start_y + 5); /********** ACHTUNG ACHTUNG number_of_solutions() noch nicht zuverlaessig!! => es wird IMMER nur EINE Loesung herausgenommen!! number_of_sol = number_of_solutions(); if (result_counter <= number_of_sol) { ali_message("Starting systematic mapping"); make_map_systematic(stack); } else { ali_message("Starting random mapping"); do { make_map_random(stack); } while (result_counter > 0); } ***********/ make_map_random(stack); delete stack; } struct ali_aligner_tripel { unsigned long v1, v2, v3; }; /* * approximate the number of solutions produced by the path matrix */ unsigned long ALI_ALIGNER::number_of_solutions(void) { float min; unsigned long pos_x, pos_y, col_length; unsigned long number; unsigned long l; unsigned char value; ALI_TARRAY *up_pointer; ALI_TLIST *list; ali_pathmap_up_pointer up; ali_aligner_tripel *column1, *column2, *elem_akt_col, *elem_left_col; col_length = end_y - start_y + 1; column1 = (ali_aligner_tripel *) CALLOC((unsigned int) col_length, sizeof(ali_aligner_tripel)); column2 = (ali_aligner_tripel *) CALLOC((unsigned int) col_length, sizeof(ali_aligner_tripel)); if (column1 == 0 || column2 == 0) ali_fatal_error("Out of memory"); if (end_x - (start_x & 0x01)) { elem_akt_col = column1 + col_length - 1; elem_left_col = column2 + col_length - 1; } else { elem_akt_col = column2 + col_length - 1; elem_left_col = column1 + col_length - 1; } number = 0; /* * Initialize all end points in the last column */ min = minimum3(last_cell->d1,last_cell->d2,last_cell->d3); if (last_cell->d1 == min) { list = &(last_cell->up_starts); if (!list->is_empty()) { up = list->first(); if (up.start == 0) { number += 1; } else { switch (up.operation) { case ALI_UP: ali_fatal_error("Unexpected Value (1)", "ALI_ALIGNER::number_of_solutions()"); break; case ALI_DIAG: (elem_akt_col - col_length + 1 + up.start - 1)->v2 += 1; break; case ALI_LEFT: (elem_akt_col - col_length + 1 + up.start - 1)->v3 += 1; break; } } while (list->is_next()) { up = list->next(); if (up.start == 0) { number += 1; } else { switch (up.operation) { case ALI_UP: ali_fatal_error("Unexpected Value (1)", "ALI_ALIGNER::number_of_solutions()"); break; case ALI_DIAG: (elem_akt_col - col_length + 1 + up.start - 1)->v2 += 1; break; case ALI_LEFT: (elem_akt_col - col_length + 1 + up.start - 1)->v3 += 1; break; } } } } } if (last_cell->d2 == min) { (elem_akt_col)->v2 += 1; } /* * Calculate all columns, from last to first (without the first) */ for (pos_x = end_x - start_x; pos_x > 0;) { elem_left_col->v1 = elem_left_col->v2 = elem_left_col->v3 = 0; /* * Calculate all cells, from last to first (without the first) */ for (pos_y = end_y - start_y; pos_y > 0; pos_y--) { (elem_left_col - 1)->v1 = (elem_left_col - 1)->v2 = (elem_left_col - 1)->v3 = 0; path_map[0]->get(pos_x,pos_y,&value,&up_pointer); if (value & ALI_UP) (elem_akt_col - 1)->v1 += elem_akt_col->v1; if (value & ALI_DIAG) (elem_akt_col - 1)->v2 += elem_akt_col->v1; if (value & ALI_LEFT) (elem_akt_col - 1)->v3 += elem_akt_col->v1; if (value & ALI_LUP) { for (l = 0; l < up_pointer->size(); l++) { up = up_pointer->get(l); if (pos_y - 1 < up.start || up.operation & ALI_UP || up.operation & ALI_LUP) ali_fatal_error("Inconsistent LUP reference", "ALI_ALIGNER::number_of_solutions()"); if (up.start == 0) { number += elem_akt_col->v1; } if (up.operation & ALI_DIAG) (elem_akt_col - pos_y + up.start - 1)->v2 += elem_akt_col->v1; if (up.operation & ALI_LEFT) (elem_akt_col - pos_y + up.start - 1)->v3 += elem_akt_col->v1; } } path_map[1]->get(pos_x,pos_y,&value,&up_pointer); if (value & ALI_UP) (elem_left_col - 1)->v1 += elem_akt_col->v2; if (value & ALI_DIAG) (elem_left_col - 1)->v2 += elem_akt_col->v2; if (value & ALI_LEFT) (elem_left_col - 1)->v3 += elem_akt_col->v2; if (value & ALI_LUP) ali_fatal_error("Unexpected value", "ALI_ALIGNER::number_of_solutions()"); path_map[2]->get(pos_x,pos_y,&value,&up_pointer); if (value & ALI_UP) (elem_left_col)->v1 += elem_akt_col->v3; if (value & ALI_DIAG) (elem_left_col)->v2 += elem_akt_col->v3; if (value & ALI_DIAG) (elem_left_col)->v3 += elem_akt_col->v3; if (value & ALI_LUP) ali_fatal_error("Unexpected value", "ALI_ALIGNER::number_of_solutions()"); elem_akt_col--; elem_left_col--; } /* * Calculate the first cell */ number += elem_akt_col->v1; number += elem_akt_col->v2; path_map[2]->get(pos_x,pos_y,&value,&up_pointer); if (value & ALI_UP) (elem_left_col)->v1 += elem_akt_col->v3; if (value & ALI_DIAG) (elem_left_col)->v2 += elem_akt_col->v3; if (value & ALI_DIAG) (elem_left_col)->v3 += elem_akt_col->v3; if (value & ALI_LUP) ali_fatal_error("Unexpected value", "ALI_ALIGNER::number_of_solutions()"); pos_x--; /* * toggle the columns */ if (pos_x & 0x01) { elem_akt_col = column1 + col_length - 1; elem_left_col = column2 + col_length - 1; } else { elem_akt_col = column2 + col_length - 1; elem_left_col = column1 + col_length - 1; } /* * Initialize end point at last cell of column */ if (last_cell->d3 == min) { (elem_akt_col)->v1 = (elem_akt_col)->v2 = (elem_akt_col)->v3 = 0; list = &(last_cell->left_starts); if (!list->is_empty()) { up = list->first(); if (up.start - 1 == pos_x) { switch (up.operation) { case ALI_UP: (elem_akt_col)->v1 += 1; break; case ALI_DIAG: (elem_akt_col)->v2 += 1; break; case ALI_LEFT: ali_fatal_error("Unexpected value", "ALI_ALIGNER::number_of_solutions()"); break; } } while (list->is_next()) { up = list->next(); if (up.start == pos_x) { switch (up.operation) { case ALI_UP: (elem_akt_col)->v1 += 1; break; case ALI_DIAG: (elem_akt_col)->v2 += 1; break; case ALI_LEFT: ali_fatal_error("Unexpected value", "ALI_ALIGNER::number_of_solutions()"); break; } } } } } } /* * Calculate the cells of the first column, * from last to first (without first) */ for (pos_y = end_y - start_y; pos_y > 0; pos_y--) { path_map[0]->get(pos_x,pos_y,&value,&up_pointer); if (value & ALI_UP) (elem_akt_col - 1)->v1 += elem_akt_col->v1; if (value & ALI_DIAG) { number += elem_akt_col->v1; } if (value & ALI_LEFT) { number += elem_akt_col->v1; } if (value & ALI_LUP) { for (l = 0; l < up_pointer->size(); l++) { up = up_pointer->get(l); if (pos_y - 1 < up.start || up.operation & ALI_UP || up.operation & ALI_LUP) ali_fatal_error("Inconsistent LUP reference", "ALI_ALIGNER::number_of_solutions()"); if (up.operation & ALI_DIAG) { number += elem_akt_col->v1; } if (up.operation & ALI_LEFT) { number += elem_akt_col->v1; } } } number += elem_akt_col->v2; number += elem_akt_col->v3; elem_akt_col--; } number += elem_akt_col->v1; number += elem_akt_col->v2; number += elem_akt_col->v3; free ((char *) column1); free ((char *) column2); return number; } /***************************************************************************** * * CLASS: ALI_ALIGNER * * PUBLIC PART * *****************************************************************************/ ALI_ALIGNER::ALI_ALIGNER(ALI_ALIGNER_CONTEXT *context, ALI_PROFILE *prof, unsigned long sx, unsigned long ex, unsigned long sy, unsigned long ey) { profile = prof; start_x = sx; end_x = ex; start_y = sy; end_y = ey; ali_message("Starting main aligner"); result_counter = context->max_number_of_maps; last_cell = new ali_aligner_last_cell(prof); path_map[0] = new ALI_PATHMAP(end_x - start_x + 1,end_y - start_y + 1); path_map[1] = new ALI_PATHMAP(end_x - start_x + 1,end_y - start_y + 1); path_map[2] = new ALI_PATHMAP(end_x - start_x + 1,end_y - start_y + 1); calculate_matrix(); make_map(); /* * Delete all unused objects */ delete last_cell; delete path_map[0]; delete path_map[1]; delete path_map[2]; ali_message("Main aligner finished"); } ./arbsrc_9167/NALIGNER/ali_aligner.hxx0000644012664100000130000003260711440742777017362 0ustar arb_buildcoders #ifndef _ALI_ALIGNER_INC_ #define _ALI_ALIGNER_INC_ // #include #include "ali_solution.hxx" #include "ali_tstack.hxx" #include "ali_tlist.hxx" #include "ali_tarray.hxx" #include "ali_profile.hxx" #include "ali_pathmap.hxx" #define ALI_ALIGNER_INS 1 #define ALI_ALIGNER_SUB 2 #define ALI_ALIGNER_DEL 3 #define ALI_ALIGNER_MULTI_FLAG 4 struct ALI_ALIGNER_CONTEXT { long max_number_of_maps; }; /* * Structure of a cell of the distance matrix */ struct ali_aligner_cell { float d1, d2, d3; ALI_TARRAY *starts; ali_aligner_cell(void) { d1 = d2 = d3 = 0.0; starts = 0; } void print(void) { printf("%4.2f %4.2f %4.2f %8p",d1,d2,d3,starts); } }; /* * Structure of a column of the distance matrix */ struct ali_aligner_column { unsigned long column_length; //ali_aligner_cell (*cells)[]; ali_aligner_cell **cells; ali_aligner_column(unsigned long length) { column_length = length; cells = (ali_aligner_cell**) calloc((unsigned int) column_length, sizeof(ali_aligner_cell)); //cells = (ali_aligner_cell (*) [0]) calloc((unsigned int) column_length, sizeof(ali_aligner_cell)); //cells = (ali_aligner_cell (*) [1]) calloc((unsigned int) column_length, sizeof(ali_aligner_cell)); if (cells == 0) ali_fatal_error("Out of memory"); } ~ali_aligner_column(void) { if (cells) free((char *) cells); } void print(void) { unsigned int i; for (i = 0; i < column_length; i++) { printf("%2d: ",i); (*cells)[i].print(); printf("\n"); } } }; /* * Structure of a LONG deletion (multi gap) in the distance matrix */ struct ali_aligner_dellist_elem { unsigned long start; float costs; unsigned char operation; ali_aligner_dellist_elem(unsigned long s = 0, float c = 0.0, unsigned char op = 0) { start = s; costs = c; operation = op; } void print(void) { printf("(%3ld %4.2f %2d)",start,costs,operation); } }; /* * Structure of the list of LONG deletions in the distance matrix */ struct ali_aligner_dellist { ALI_PROFILE *profile; ALI_TLIST list_of_dels; ali_aligner_dellist(ALI_PROFILE *p) { profile = p; } ~ali_aligner_dellist(void) { ali_aligner_dellist_elem * elem; if (!list_of_dels.is_empty()) { elem = list_of_dels.first(); while (list_of_dels.is_next()) { delete elem; elem = list_of_dels.next(); } delete elem; } } void print(void) { printf("DEL_LIST: "); if (!list_of_dels.is_empty()) { list_of_dels.first()->print(); while (list_of_dels.is_next()) { printf(", "); list_of_dels.next()->print(); } } printf("\n"); } void print_cont(unsigned long position) { ali_aligner_dellist_elem *elem; if (!list_of_dels.is_empty()) { elem = list_of_dels.first(); while (list_of_dels.is_next()) { elem->print(); printf("\t %f\n",profile->gap_percent(elem->start,position)); elem = list_of_dels.next(); } elem->print(); printf("\t %f\n",profile->gap_percent(elem->start,position)); } } unsigned long length(void) { return list_of_dels.cardinality(); } void make_empty(void) { ali_aligner_dellist_elem *elem; if (!list_of_dels.is_empty()) { elem = list_of_dels.first(); while (list_of_dels.is_next()) { delete elem; elem = list_of_dels.next(); } delete elem; } list_of_dels.make_empty(); } void insert(unsigned long start, float costs, unsigned char operation) { ali_aligner_dellist_elem *new_elem; new_elem = new ali_aligner_dellist_elem(start,costs,operation); list_of_dels.append_end(new_elem); } float update(unsigned long position); ALI_TARRAY *starts(float costs, unsigned long y_offset); void optimize(unsigned long position); }; /* * Structure of the virtual cell at the left buttom */ struct ali_aligner_last_cell { ALI_PROFILE *profile; float d1, d2, d3; ALI_TLIST left_starts; ALI_TLIST up_starts; ali_aligner_last_cell(ALI_PROFILE *prof) { profile = prof; d1 = d2 = d3 = -1.0; } void insert_left(unsigned long start, unsigned char operation, float costs) { ali_pathmap_up_pointer left; if (costs < d3 || d3 == -1.0) { left_starts.make_empty(); d3 = costs; } if (costs == d3) { left.start = start; left.operation = operation; left_starts.append_end(left); } } void insert_up(unsigned long start, unsigned char operation, float costs) { ali_pathmap_up_pointer up; if (costs < d1 || d1 == -1.0) { up_starts.make_empty(); d1 = costs; } if (costs == d1) { up.start = start; up.operation = operation; up_starts.append_end(up); } } void update_border(unsigned long start_x, unsigned long end_x, unsigned long start_y, unsigned long end_y) { float cost; cost = profile->w_del_multi(start_y, end_y) + profile->w_ins_multi(start_x, end_x); insert_left(0, ALI_UP, cost); insert_up(0, ALI_LEFT, cost); } void update_left(ali_aligner_cell *akt_cell, unsigned long akt_pos, unsigned long start_x, unsigned long end_x) { float min; unsigned char operation = 0; min = (akt_cell->d1 < akt_cell->d2) ? akt_cell->d1 : akt_cell->d2; if (akt_cell->d1 == min) operation |= ALI_UP; if (akt_cell->d2 == min) operation |= ALI_DIAG; insert_left(akt_pos, operation, min + profile->w_ins_multi_cheap(start_x + akt_pos, end_x)); } void update_up(ali_aligner_cell *akt_cell, unsigned long akt_pos, unsigned long start_y, unsigned long end_y) { float min; unsigned char operation = 0; min = (akt_cell->d3 < akt_cell->d2) ? akt_cell->d3 : akt_cell->d2; if (akt_cell->d3 == min) operation |= ALI_LEFT; if (akt_cell->d2 == min) operation |= ALI_DIAG; insert_up(akt_pos,operation, min + profile->w_del_multi_cheap(start_y + akt_pos, end_y)); } void update_up(ali_aligner_column *akt_col, unsigned long start_y, unsigned long end_y) { unsigned long cell; /* * Value for start := start + 1 (because of -1) */ for (cell = 0; cell < akt_col->column_length - 1; cell++) update_up(&(*akt_col->cells)[cell], cell + 1, start_y, end_y); d2 = (*akt_col->cells)[akt_col->column_length - 1].d2; } void print(void) { ali_pathmap_up_pointer elem; printf("d1 = %f, d2 = %f, d3 = %f\n",d1,d2,d3); printf("left starts = "); if (!left_starts.is_empty()) { elem = left_starts.first(); printf("<(%ld %d)",(long)elem.start,elem.operation); while (left_starts.is_next()) { elem = left_starts.next(); printf(", (%ld %d)",(long)elem.start,elem.operation); } printf(">\n"); } else { printf("empty\n"); } printf("up starts = "); if (!up_starts.is_empty()) { elem = up_starts.first(); printf("<(%ld %d)",elem.start,elem.operation); while (up_starts.is_next()) { elem = up_starts.next(); printf(", (%ld %d)",(long)elem.start,elem.operation); } printf(">\n"); } else { printf("empty\n"); } } }; /* * Structure for collecting all possible solution */ struct ali_aligner_result { ALI_TLIST *map_list; ali_aligner_result(void) { map_list = new ALI_TLIST; } ~ali_aligner_result(void) { if (map_list) { clear(); delete map_list; } } void insert(ALI_MAP *in_map) { map_list->append_end(in_map); } void clear(void) { if (!map_list->is_empty()) { delete map_list->first(); while (map_list->is_next()) delete map_list->next(); } } }; /* * Class of the extended aligner */ class ALI_ALIGNER { ALI_PROFILE *profile; ALI_PATHMAP *path_map[3]; ali_aligner_last_cell *last_cell; ali_aligner_result result; unsigned long result_counter; unsigned long start_x, end_x, start_y, end_y; float minimum2(float a, float b); float minimum3(float a, float b, float c); void calculate_first_column_first_cell( ali_aligner_cell *akt_cell, ali_aligner_dellist *del_list); void calculate_first_column_second_cell( ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, ali_aligner_dellist *del_list); void calculate_first_column_cell( ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, unsigned long pos_y, ali_aligner_dellist *del_list); void calculate_first_column(ali_aligner_column *akt_col, ali_aligner_dellist *del_list); void calculate_second_column_first_cell( ali_aligner_cell *left_cell, ali_aligner_cell *akt_cell, ali_aligner_dellist *del_list); void calculate_second_column_second_cell( ali_aligner_cell *diag_cell, ali_aligner_cell *left_cell, ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, ali_aligner_dellist *del_list); void calculate_second_column_cell( ali_aligner_cell *diag_cell, ali_aligner_cell *left_cell, ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, unsigned long pos_y, ali_aligner_dellist *del_list); void calculate_second_column(ali_aligner_column *prev_col, ali_aligner_column *akt_col, ali_aligner_dellist *del_list); void calculate_first_cell( ali_aligner_cell *left_cell, ali_aligner_cell *akt_cell, unsigned long pos_x, ali_aligner_dellist *del_list); void calculate_second_cell( ali_aligner_cell *diag_cell, ali_aligner_cell *left_cell, ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, unsigned long pos_x, ali_aligner_dellist *del_list); void calculate_cell(ali_aligner_cell *diag_cell, ali_aligner_cell *left_cell, ali_aligner_cell *up_cell, ali_aligner_cell *akt_cell, unsigned long pos_x, unsigned long pos_y, ali_aligner_dellist *del_list); void calculate_column(ali_aligner_column *prev_col, ali_aligner_column *akt_col, unsigned long pos_x, ali_aligner_dellist *del_list); void calculate_matrix(void); void generate_result(ALI_TSTACK *stack); void mapper_pre(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y, unsigned char operation, int random_mapping_flag = 0); void mapper_post(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void mapper_pre_random_up( ALI_TSTACK *stack, ALI_TLIST *list); void mapper_pre_random_left( ALI_TSTACK *stack, ALI_TLIST *list); void mapper_random(ALI_TSTACK *stack, int plane, unsigned long pos_x, unsigned long pos_y); void mapper(ALI_TSTACK *stack, int plane, unsigned long pos_x, unsigned long pos_y); void make_map_random(ALI_TSTACK *stack); void make_map_systematic(ALI_TSTACK *stack); void make_map(void); unsigned long number_of_solutions(); public: ALI_ALIGNER(ALI_ALIGNER_CONTEXT *context, ALI_PROFILE *profile, unsigned long start_x, unsigned long end_x, unsigned long start_y, unsigned long end_y); ALI_TLIST *solutions(void) { ALI_TLIST *ret = result.map_list; result.map_list = 0; return ret; } }; #endif ./arbsrc_9167/NALIGNER/ali_arbdb_client.hxx0000644012664100000130000000067411440742777020350 0ustar arb_buildcoders class ALI_ARBDB { private: char *alignment; public: GBDATA *gb_main; int open(char *name, char *use_alignment = 0); int close(void); void begin_transaction(void); void commit_transaction(void); char *get_sequence(char *name, int and_mark = 0); char *get_SAI(char *name); int put_sequence(char *name, char *sequence, char *info = 0); int put_SAI(const char *name, char *sequence, char *info = 0); }; ./arbsrc_9167/NALIGNER/ali_arbdb.cxx0000644012664100000130000001000111440742777016766 0ustar arb_buildcoders#include #include #include #include #include #include "ali_arbdb.hxx" #define HELIX_PAIRS "helix_pairs" #define HELIX_LINE "helix_line" ALI_ARBDB::~ALI_ARBDB(void) { if (gb_main) GB_close(gb_main); freeset(alignment, NULL); } int ALI_ARBDB::open(char *name, char *use_alignment) { gb_main = GB_open(name, "rt"); if (!gb_main) { GB_print_error(); return 1; } GB_begin_transaction(gb_main); if (use_alignment) alignment = strdup(use_alignment); else alignment = GBT_get_default_alignment(gb_main); GB_commit_transaction(gb_main); return 0; } void ALI_ARBDB::close(void) { GB_close(gb_main); freeset(alignment, NULL); } char *ALI_ARBDB::get_sequence_string(char *name,int and_mark) { char *sequence = 0; GBDATA *gb_species_data; GBDATA *gb_seq; gb_species_data = GB_search(gb_main, "species_data", GB_FIND); gb_seq = GB_find_string(gb_species_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_seq) { if (and_mark) GB_write_flag(GB_get_father(gb_seq),1); gb_seq = GB_brother(gb_seq, alignment); if (gb_seq) { gb_seq = GB_entry(gb_seq, "data"); if (gb_seq) sequence = GB_read_string(gb_seq); } } if (sequence == 0) return 0; return sequence; } ALI_SEQUENCE *ALI_ARBDB::get_sequence(char *name,int and_mark) { ALI_SEQUENCE *ali_seq; char *sequence = 0; GBDATA *gb_species_data; GBDATA *gb_seq; gb_species_data = GB_search(gb_main, "species_data", GB_FIND); gb_seq = GB_find_string(gb_species_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_seq) { if (and_mark) GB_write_flag(GB_get_father(gb_seq),1); gb_seq = GB_brother(gb_seq, alignment); if (gb_seq) { gb_seq = GB_entry(gb_seq, "data"); if (gb_seq) sequence = GB_read_string(gb_seq); } } if (sequence == 0) return 0; ali_seq = new ALI_SEQUENCE(name,sequence); return ali_seq; } char *ALI_ARBDB::get_SAI(char *name) { char *extended = 0; GBDATA *gb_sai_data = GBT_get_SAI_data(gb_main); GBDATA *gb_sai = GB_find_string(gb_sai_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_sai) { gb_sai = GB_brother(gb_sai, alignment); if (gb_sai) { gb_sai = GB_entry(gb_sai, "data"); if (gb_sai) extended = GB_read_string(gb_sai); } } return extended; } int ALI_ARBDB::put_sequence_string(char *name, char *sequence) { GB_change_my_security(gb_main,6,"passwd"); GBDATA *gb_species_data = GB_search(gb_main, "species_data", GB_FIND); GBDATA *gb_seq = GB_find_string(gb_species_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_seq) { GBDATA *gb_ali = GB_brother(gb_seq, alignment); if (gb_ali) { GBDATA *gb_data = GB_search(gb_ali, "data", GB_STRING); GB_write_string(gb_data,sequence); free(sequence); } } return 0; } int ALI_ARBDB::put_sequence(char *name, ALI_SEQUENCE *sequence) { GB_change_my_security(gb_main,6,"passwd"); GBDATA *gb_species_data = GB_search(gb_main, "species_data", GB_FIND); GBDATA *gb_seq = GB_find_string(gb_species_data, "name", name, GB_IGNORE_CASE, down_2_level); if (gb_seq) { GBDATA *gb_ali = GB_brother(gb_seq, alignment); if (gb_ali) { GBDATA *gb_data = GB_search(gb_ali, "data", GB_STRING); char *String = sequence->string(); GB_write_string(gb_data,String); free(String); } } return 0; } int ALI_ARBDB::put_SAI(const char *name, char *sequence) { GB_change_my_security(gb_main,6,"passwd"); GBDATA *gb_extended = GBT_find_or_create_SAI(gb_main,name); GBDATA *gb_data = GBT_add_data(gb_extended,alignment,"data",GB_STRING); GB_write_string(gb_data,sequence); return 0; } ./arbsrc_9167/NALIGNER/ali_arbdb.hxx0000644012664100000130000000160211440742777017002 0ustar arb_buildcoders #ifndef _ALI_ARBDB_INC_ #define _ALI_ARBDB_INC_ #include "ali_other_stuff.hxx" #include "ali_sequence.hxx" /* * Class for accessing the database */ class ALI_ARBDB { private: char *alignment; public: GBDATA *gb_main; ALI_ARBDB(void) { alignment = 0; gb_main = 0; } ~ALI_ARBDB(void); int open(char *name, char *use_alignment = 0); void close(void); void begin_transaction(void) { GB_begin_transaction(gb_main); } void commit_transaction(void) { GB_commit_transaction(gb_main); } char *get_sequence_string(char *name, int and_mark = 0); ALI_SEQUENCE *get_sequence(char *name, int and_mark = 0); char *get_SAI(char *name); int put_sequence_string(char *name, char *sequence); int put_sequence(char *name, ALI_SEQUENCE *sequence); int put_SAI(const char *name, char *sequence); }; #endif ./arbsrc_9167/NALIGNER/ali_genseq.hxx0000644012664100000130000000206511440742777017216 0ustar arb_buildcoders #ifndef _GENSEQ_INC_ #define _GENSEQ_INC_ class ALI_GENSEQ { unsigned long sequence_len; unsigned char (*sequence)[]; public: ALI_GENSEQ() { sequence_len = 0; sequence = 0; } ALI_GENSEQ(char *seq) { sequence_len = strlen(seq); sequence = (unsigned char (*)[]) strdup(seq); } ~ALI_GENSEQ() { if (sequence != 0) free(sequence); } const unsigned long length() { return sequence_len; } char *const string() { return (char *) sequence; } }; class ALI_NORM_GENSEQ { unsigned long num_of_bases; unsigned char (*bases)[]; unsigned char (*start_pos)[]; int is_base(char b); int is_base(int b); int normalize_base(char b); unsigned long number_of_bases(char *seq); public: ALI_NORM_GENSEQ(char *a); ALI_NORM_GENSEQ(ALI_GENSEQ &a); int is_start(unsigned long pos) { if (pos > num_of_bases) return 0; if ((*start_pos)[(pos/8)] & 1<<(7-(pos%8))) return 1; return 0; } }; ./arbsrc_9167/NALIGNER/ali_global.cxx0000644012664100000130000003142711440742777017173 0ustar arb_buildcoders #include #include #include #include "ali_misc.hxx" #include "ali_global.hxx" #define EXCLUSIVE_FLAG_DEFAULT 1 #define MARK_FAMILY_FLAG_DEFAULT 0 #define MARK_EXTENSION_FLAG_DEFAULT 0 #define FIND_FAMILY_MODE_DEFAULT 1 #define MAX_FAMILY_SIZE_DEFAULT 10 #define MIN_FAMILY_SIZE_DEFAULT 5 #define MIN_WEIGHT_DEFAULT 0.7 #define EXT_MAX_WEIGHT_DEFAULT 0.2 #define MULTI_GAP_FACTOR_DEFAULT 0.1 #define INSERT_FACTOR_DEFAULT 2.0; #define MULTI_INSERT_FACTOR_DEFAULT 0.5; #define COST_LOW_DEFAULT 0.25 #define COST_MIDDLE_DEFAULT 0.5 #define COST_HIGH_DEFAULT 0.8 #define MAX_COST_OF_SUB_PERCENT_DEFAULT 0.5 #define MAX_COST_OF_HELIX 2.0 #define ERROR_COUNT_DEFAULT 2 #define MAX_NUMBER_OF_MAPS_DEFAULT 10 /* 100 */ #define MAX_NUMBER_OF_MAPS_ALIGNER_DEFAULT 2 #define INTERVALL_BORDER_DEFAULT 5 #define INTERVALL_CENTER_DEFAULT 5 /* * ACHTUNG: muss noch durch parameter belegbar sein */ #define MATCHES_MIN_DEFAULT 1000 #define PERCENT_MIN_DEFAULT 0.75 #define FAM_LIST_MAX_DEFAULT 5 #define EXT_LIST_MAX_DEFAULT 10 #define USE_SPECIFIED_FAMILY_DEFAULT 0 double default_substitute_matrix[5][5] = { /* a c g u - */ {0.0, 3.0, 1.0, 3.0, 5.0}, /* a */ {3.0, 0.0, 3.0, 1.0, 5.0}, /* c */ {1.0, 3.0, 0.0, 3.0, 5.0}, /* g */ {3.0, 1.0, 3.0, 0.0, 5.0}, /* u */ {5.0, 5.0, 5.0, 5.0, 0.0} /* - */ }; double default_binding_matrix[5][5] = { /* a c g u - */ {9.9, 9.9, 2.0, 0.9, 9.9}, /* a */ {9.9, 9.9, 0.6, 9.9, 9.9}, /* c */ {2.0, 0.6, 5.0, 1.1, 9.9}, /* g */ {0.9, 9.9, 1.1, 9.9, 9.9}, /* u */ {9.9, 9.9, 9.9, 9.9, 0.0} /* - */ }; void ALI_GLOBAL::init(int *argc, char *argv[]) { int kill, i, h, j, ret; char *pos; struct arb_params *params; float fl; params = arb_trace_argv(argc,argv); prog_name = argv[0]; species_name = params->species_name; default_file = params->default_file; db_server = params->db_server; /* * Set the defaults */ for (i = 0; i < 5; i++) for (j = 0; j < 5; j++) { prof_context.substitute_matrix[i][j] = default_substitute_matrix[i][j]; prof_context.binding_matrix[i][j] = default_binding_matrix[i][j]; } cost_low = COST_LOW_DEFAULT; cost_middle = COST_MIDDLE_DEFAULT; cost_high = COST_HIGH_DEFAULT; preali_context.max_number_of_maps = MAX_NUMBER_OF_MAPS_DEFAULT; preali_context.max_number_of_maps_aligner = MAX_NUMBER_OF_MAPS_ALIGNER_DEFAULT; preali_context.intervall_border = INTERVALL_BORDER_DEFAULT; preali_context.intervall_center = INTERVALL_CENTER_DEFAULT; preali_context.max_cost_of_sub_percent = MAX_COST_OF_SUB_PERCENT_DEFAULT; preali_context.max_cost_of_helix = MAX_COST_OF_HELIX; preali_context.error_count = ERROR_COUNT_DEFAULT; mark_species_flag = 0; prof_context.find_family_mode = FIND_FAMILY_MODE_DEFAULT; prof_context.exclusive_flag = EXCLUSIVE_FLAG_DEFAULT; prof_context.mark_family_flag = MARK_FAMILY_FLAG_DEFAULT; prof_context.mark_family_extension_flag = MARK_EXTENSION_FLAG_DEFAULT; prof_context.max_family_size = MAX_FAMILY_SIZE_DEFAULT; prof_context.min_family_size = MIN_FAMILY_SIZE_DEFAULT; prof_context.min_weight = MIN_WEIGHT_DEFAULT; prof_context.ext_max_weight = EXT_MAX_WEIGHT_DEFAULT; prof_context.multi_gap_factor = MULTI_GAP_FACTOR_DEFAULT; prof_context.insert_factor = INSERT_FACTOR_DEFAULT; prof_context.multi_insert_factor = MULTI_INSERT_FACTOR_DEFAULT; pt_context.matches_min = MATCHES_MIN_DEFAULT; pt_context.percent_min = PERCENT_MIN_DEFAULT; pt_context.fam_list_max = FAM_LIST_MAX_DEFAULT; pt_context.ext_list_max = EXT_LIST_MAX_DEFAULT; pt_context.use_specified_family = USE_SPECIFIED_FAMILY_DEFAULT; /* * evaluate the parameters */ for (i = 1; i < *argc;) { kill = 0; if (strcmp("-nx",argv[i]) == 0 && kill == 0) { prof_context.exclusive_flag = 0; kill = i; } if (strncmp("-f",argv[i],2) == 0 && kill == 0) { pt_context.use_specified_family = strdup(argv[i] + 2); kill = i; } if (strcmp("-ms",argv[i]) == 0 && kill == 0) { mark_species_flag = 1; kill = i; } if (strcmp("-mf",argv[i]) == 0 && kill == 0) { prof_context.mark_family_flag = 1; kill = i; } if (strcmp("-mfe",argv[i]) == 0 && kill == 0) { prof_context.mark_family_extension_flag = 1; kill = i; } if (strncmp("-mgf",argv[i],4) == 0 && kill == 0) { kill = i; pos = argv[i] + 4; ret = sscanf(pos,"%f",&prof_context.multi_gap_factor); if (ret != 1) { ali_warning("Wrong format for -mgf"); break; } } if (strncmp("-if",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%f",&prof_context.insert_factor); if (ret != 1) { ali_warning("Wrong format for -if"); break; } } if (strncmp("-mif",argv[i],4) == 0 && kill == 0) { kill = i; pos = argv[i] + 4; ret = sscanf(pos,"%f",&prof_context.multi_insert_factor); if (ret != 1) { ali_warning("Wrong format for -mif"); break; } } if (strcmp("-m",argv[i]) == 0 && kill == 0) { mark_species_flag = 1; prof_context.mark_family_flag = 1; kill = i; } if (strncmp("-msub",argv[i],5) == 0 && kill == 0) { kill = i; pos = argv[i] + 5; for (h = 0; h < 5; h++) for (j = 0; j < 5; j++) { ret = sscanf(pos,"%f",&fl); if (ret != 1) { ali_warning("wrong format for -msub"); break; } else prof_context.substitute_matrix[h][j] = (double) fl; pos = strchr(pos,','); if ((h != 4 || j != 4) && pos == 0) { ali_warning("Not enought values for -msub"); break; } pos++; } } if (strncmp("-mbind",argv[i],6) == 0 && kill == 0) { kill = i; pos = argv[i] + 6; for (h = 0; h < 5; h++) for (j = 0; j < 5; j++) { ret = sscanf(pos,"%f",&fl); if (ret != 1) { ali_warning("Wrong format for -mbind"); break; } else prof_context.binding_matrix[h][j] = (double) fl; pos = strchr(pos,','); if ((h != 4 || j != 4) && pos == 0) { ali_warning("Not enought values for -mbind"); break; } pos++; } } if (strncmp("-maxf",argv[i],5) == 0 && kill == 0) { kill = i; pos = argv[i] + 5; ret = sscanf(pos,"%d",&prof_context.max_family_size); if (ret != 1) { ali_warning("Wrong format for -maxf"); break; } } if (strncmp("-minf",argv[i],5) == 0 && kill == 0) { kill = i; pos = argv[i] + 5; ret = sscanf(pos,"%d",&prof_context.min_family_size); if (ret != 1) { ali_warning("Wrong format for -minf"); break; } } if (strncmp("-minw",argv[i],5) == 0 && kill == 0) { kill = i; pos = argv[i] + 5; ret = sscanf(pos,"%f",&prof_context.min_weight); if (ret != 1) { ali_warning("Wrong format for -minw"); break; } } if (strncmp("-maxew",argv[i],6) == 0 && kill == 0) { kill = i; pos = argv[i] + 6; ret = sscanf(pos,"%f",&prof_context.ext_max_weight); if (ret != 1) { ali_warning("Wrong format for -minw"); break; } } /* * ACHTUNG: Unused BEGIN */ if (strncmp("-cl",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%f",&cost_low); if (ret != 1) { ali_warning("Wrong format for -cl"); break; } } if (strncmp("-cm",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%f",&cost_middle); if (ret != 1) { ali_warning("Wrong format for -cm"); break; } } if (strncmp("-ch",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%f",&cost_high); if (ret != 1) { ali_warning("Wrong format for -ch"); break; } } /* * ACHTUNG: Unused END */ if (strncmp("-csub",argv[i],5) == 0 && kill == 0) { kill = i; pos = argv[i] + 5; ret = sscanf(pos,"%f",&preali_context.max_cost_of_sub_percent); if (ret != 1) { ali_warning("Wrong format for -csub"); break; } } if (strncmp("-chel",argv[i],5) == 0 && kill == 0) { kill = i; pos = argv[i] + 5; ret = sscanf(pos,"%f",&preali_context.max_cost_of_helix); if (ret != 1) { ali_warning("Wrong format for -chel"); break; } } if (strncmp("-mma",argv[i],4) == 0 && kill == 0) { kill = i; pos = argv[i] + 4; ret = sscanf(pos,"%ld",&preali_context.max_number_of_maps_aligner); if (ret != 1) { ali_warning("Wrong format for -mma"); break; } } if (strncmp("-mm",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%ld",&preali_context.max_number_of_maps); if (ret != 1) { ali_warning("Wrong format for -mm"); break; } } if (strncmp("-ec",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%ld",&preali_context.error_count); if (ret != 1) { ali_warning("Wrong format for -ec"); break; } } if (strncmp("-ib",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%d",&preali_context.intervall_border); if (ret != 1) { ali_warning("Wrong format for -ib"); break; } } if (strncmp("-ic",argv[i],3) == 0 && kill == 0) { kill = i; pos = argv[i] + 3; ret = sscanf(pos,"%d",&preali_context.intervall_center); if (ret != 1) { ali_warning("Wrong format for -ic"); break; } } if (kill > 0) { for (i++; i < *argc; i++) argv[i-1] = argv[i]; (*argc)--; i = kill; } else i++; } /* * Check for consistency */ if (prof_context.min_family_size > prof_context.max_family_size) { ali_warning("minf <= maxf"); } if (prof_context.ext_max_weight < 0 || prof_context.ext_max_weight > 1.0) { ali_warning("0 <= maxew <= 1.0"); } if (prof_context.min_weight < 0 || prof_context.min_weight > 1.0) { ali_warning("0 <= minw <= 1.0"); } if (cost_low > cost_middle || cost_middle > cost_high || cost_low < 0 || cost_high > 1.0) { ali_warning("0 <= cl <= cm <= ch <= 1.0"); } /* * Open Database and Pt server */ ali_message("Connecting to Database server"); if (arbdb.open(db_server) != 0) { ali_error("Can't connect to Database server"); } ali_message("Connection established"); prof_context.arbdb = &arbdb; pt_context.servername = params->pt_server; pt_context.gb_main = arbdb.gb_main; pt = new ALI_PT(&pt_context); prof_context.pt = pt; } ./arbsrc_9167/NALIGNER/ali_global.hxx0000644012664100000130000000144311440742777017173 0ustar arb_buildcoders#ifndef _ALI_GLOBAL_INC_ #define _ALI_GLOBAL_INC_ #include "ali_arbdb.hxx" #include "ali_pt.hxx" #include "ali_profile.hxx" #include "ali_prealigner.hxx" class ALI_GLOBAL { private: public: /* misc */ char *prog_name; char *species_name; char *default_file; char *db_server; char *pt_server; /* other classes */ ALI_ARBDB arbdb; ALI_PT *pt; /* flags */ int mark_species_flag; /* limits */ float cost_low; float cost_middle; float cost_high; /* Contexts */ ALI_PT_CONTEXT pt_context; ALI_PROFILE_CONTEXT prof_context; ALI_PREALIGNER_CONTEXT preali_context; /* functions */ void init(int *argc, char *argv[]); }; #endif ./arbsrc_9167/NALIGNER/ali.hxx0000644012664100000130000000037711440742777015660 0ustar arb_buildcoders#include "ali_preali.hxx" #include "ali_arbdb_client.hxx" #include "ali_pt_client.hxx" struct ali_global_struct { char *server_name; ALI_ARBDB arbdb; ALI_PT pt; }; extern struct ali_global_struct aligs; void message(char *errortext); ./arbsrc_9167/NALIGNER/ali_main.cxx0000644012664100000130000003211711440742777016654 0ustar arb_buildcoders// ********************* INCLUDE #include #include "ali_misc.hxx" #include "ali_global.hxx" #include "ali_sequence.hxx" #include "ali_profile.hxx" #include "ali_aligner.hxx" #include "ali_prealigner.hxx" #define HELIX_PAIRS "helix_pairs" #define HELIX_LINE "helix_line" #define ALI_CONSENSUS "ALI_CON" #define ALI_ERROR "ALI_ERR" #define ALI_INTERVALLS "ALI_INT" ALI_GLOBAL aligs; void message(char *errortext); const char *ali_version = "\nALIGNER V2.0 (Boris Reichel 5/95)\n"; const char *ali_man_line[] = { "Parameter:", "-s aligne the sequence of ", "-f,...,[;,...,] use specified family and family extension", "-P use the PT_server ", "[-D] use the DB_server ", "[-nx] not exclusive mode (profile)", "[-ms] mark species (profile)", "[-mf] mark used family (profile)", "[-mfe] mark used family extension (profile)", "[-mgf] multi gap factor (0.1) (profile)", "[-if] insert factor (2.0) (profile)", "[-mif] multi insert factor (0.5) (profile)", "[-m] mark all (-m == -ms -mf -mfe) (profile)", "[-d] use for default values", "[-msubX1,X2,...,X25] use X1,...,X25 for the substitute matrix: (profile)", " a c g u -", " a X1 X2 X3 X4 X5", " c X6 X7 X8 X9 X10", " g X11 X12 X13 X14 X15", " u X16 X17 X18 X19 X20", " - X21 X22 X23 X24 X25", "[-mbindX1,X2,...,X25] use X1,...,X25 for the binding matrix: (profile)", " a c g u -", " a X1 X2 X3 X4 X5", " c X6 X7 X8 X9 X10", " g X11 X12 X13 X14 X15", " u X16 X17 X18 X19 X20", " - X21 X22 X23 X24 X25", "[-maxf] maximal number of family members (10) (profile)", "[-minf] minimal number of family members (5) (profile)", "[-minw] minimal weight for family members (0.7) (profile)", "[-maxew] maximal weight for family extension members (0.2) (profile)", "unused [-cl] cost threshold (low) (0.25) ALI_ERR = ','", "unused [-cm] cost threshold (middle) (0.5) ALI_ERR = '-'", "unused [-ch] cost threshold (high) (0.8) ALI_ERR = '='", "[-mm] maximal number of maps for solution (prealigner) (1000)", "[-mma] maximal number of maps for aligner (prealigner) (2)", "[-csub] cost threshold for substitution (prealigner) (0.5)", "[-chel] cost threshold for helix binding (prealigner) (2.0)", "[-ec] error count (prealigner) (2)", "[-ib] interval border (prealigner) (5)", "[-ic] interval center (prealigner) (5)", 0 }; /* * Print a short parameter description */ void print_man() { int i; for (i = 0; ali_man_line[i] != 0; i++) fprintf(stderr,"%s\n",ali_man_line[i]); } void ali_fatal_error(const char *message, const char *func) { fprintf(stderr,"FATAL ERROR %s: %s\n",func,message); exit(-1); } void ali_error(const char *message, const char *func) { fprintf(stderr,"ERROR %s: %s\n",func,message); exit(-1); } /******************** void del_test(ALI_PROFILE *prof,long begin, long end) { long i; printf("**********************\n"); for (i = begin; i <= end; i++) { printf("W_DEL(%d,%d)\t\t%f\n",i,end,prof->w_del(i,end)); } } void perc_test(ALI_PROFILE *prof,long begin, long end) { long i; printf("**********************\n"); for (i = begin; i <= end; i++) { printf("GAP_PERC(%d,%d)\t\t%f\n",i,end,prof->gap_percent(i,end)); } } ********************/ /* * Get one species of a list */ int get_species(char *species_string, unsigned int species_number, char *buffer) { while (species_number > 0 && *species_string != '\0') { while (*species_string != '\0' && *species_string != ',') species_string++; if (*species_string != '\0') species_string++; species_number--; } if (*species_string != '\0') { while (*species_string != '\0' && *species_string != ',') *buffer++ = *species_string++; *buffer = '\0'; } else { return 0; } return 1; } int check_base_invariance(char *seq1, char *seq2) { while (*seq1 != '\0' && !ali_is_base(*seq1)) seq1++; while (*seq2 != '\0' && !ali_is_base(*seq2)) seq2++; while (*seq1 != '\0' && *seq2 != '\0') { if (*seq1 != *seq2) return 0; seq1++; seq2++; while (*seq1 != '\0' && !ali_is_base(*seq1)) seq1++; while (*seq2 != '\0' && !ali_is_base(*seq2)) seq2++; } if (*seq1 == *seq2) return 1; return 0; } /* * Convert the working sequenz into the original bases */ int convert_for_back_write(char *seq_new, char *seq_orig) { while (*seq_new != '\0' && (ali_is_dot(*seq_new) || ali_is_gap(*seq_new))) seq_new++; while (*seq_orig != '\0' && (ali_is_dot(*seq_orig) || ali_is_gap(*seq_orig))) seq_orig++; while (*seq_new != '\0' && *seq_orig != '\0') { if (*seq_new != *seq_orig) { switch (*seq_new) { case 'a': switch (*seq_orig) { case 'A': *seq_new = 'A'; break; default: ali_error("Unexpected character in original sequence"); } break; case 'c': switch (*seq_orig) { case 'C': *seq_new = 'C'; break; default: ali_error("Unexpected character in original sequence"); } break; case 'g': switch (*seq_orig) { case 'G': *seq_new = 'G'; break; default: ali_error("Unexpected character in original sequence"); } break; case 'u': switch (*seq_orig) { case 'U': *seq_new = 'U'; break; case 't': *seq_new = 't'; break; case 'T': *seq_new = 'T'; break; } break; case 'n': *seq_new = *seq_orig; break; default: ali_fatal_error("Unexpected character in generated sequence"); } } seq_new++; seq_orig++; while (*seq_new != '\0' && (ali_is_dot(*seq_new) || ali_is_gap(*seq_new))) seq_new++; while (*seq_orig != '\0' && (ali_is_dot(*seq_orig) || ali_is_gap(*seq_orig))) seq_orig++; } if (*seq_new == *seq_orig) return 1; return 0; } int main(int argc, char **argv) { int i; char message_buffer[100]; char species_name[100], species_number; ALI_PREALIGNER *align_prealigner; ali_prealigner_approx_element *approx_elem; ALI_SEQUENCE *sequence; ali_message(ali_version); aligs.init(&argc, argv); if (!aligs.species_name || argc > 1) { printf("Unknowen : "); for (i = 1; i < argc; i++) printf("%s ",argv[i]); printf("\n\n"); print_man(); exit (-1); } /* * Main loop */ species_number = 0; while (get_species(aligs.species_name,species_number,species_name)) { species_number++; sprintf(message_buffer, "\nStarting alignment of sequence: %s",species_name); ali_message(message_buffer); /* * Get all information of the sequence */ aligs.arbdb.begin_transaction(); ALI_SEQUENCE *align_sequence; align_sequence = aligs.arbdb.get_sequence(species_name, aligs.mark_species_flag); if (align_sequence == 0) { ali_error("Can't read sequence from database"); ali_message("Aborting alignment of sequence"); }else { char *align_string; char *align_string_original; align_string = align_sequence->string(); align_string_original = aligs.arbdb.get_sequence_string(species_name, aligs.mark_species_flag); aligs.arbdb.commit_transaction(); if (align_sequence == 0) ali_warning("Can't read sequence from database"); else { /* * make profile for sequence */ ALI_PROFILE *align_profile; align_profile = new ALI_PROFILE(align_sequence,&aligs.prof_context); /* * write information about the profile to the database */ aligs.arbdb.begin_transaction(); char *String = align_profile->cheapest_sequence(); aligs.arbdb.put_SAI("ALI_CON",String); freeset(String, align_profile->borders_sequence()); // aligs.arbdb.put_SAI("ALI_BOR",string,0); free(String); aligs.arbdb.commit_transaction(); /* * make prealignment */ align_prealigner = new ALI_PREALIGNER(&aligs.preali_context, align_profile, 0, align_profile->sequence_length() - 1 , 0, align_profile->length() - 1); ALI_SEQUENCE *align_pre_sequence_i, *align_pre_sequence; ALI_SUB_SOLUTION *align_pre_solution; ALI_TLIST *align_pre_approx; align_pre_sequence_i = align_prealigner->sequence(); align_pre_sequence = align_prealigner->sequence_without_inserts(); align_pre_solution = align_prealigner->solution(); align_pre_approx = align_prealigner->approximation(); delete align_prealigner; align_pre_solution->print(); /* * write result of alignment into database */ aligs.arbdb.begin_transaction(); String = align_pre_sequence_i->string(); aligs.arbdb.put_SAI("ALI_PRE_I",String); freeset(String, align_pre_sequence->string()); aligs.arbdb.put_SAI("ALI_PRE",String); free(String); aligs.arbdb.commit_transaction(); sprintf(message_buffer,"%d solutions generated (taking the first)", align_pre_approx->cardinality()); ali_message(message_buffer); if (align_pre_approx->is_empty()) ali_fatal_error("List of approximations is empty"); /* * Write result back to the database */ approx_elem = align_pre_approx->first(); sequence = approx_elem->map->sequence(align_profile->sequence()); String = sequence->string(); if (!check_base_invariance(String,align_string)) ali_error("Bases changed in output sequence"); if (!convert_for_back_write(String,align_string_original)) ali_fatal_error("Can't convert correctly"); aligs.arbdb.begin_transaction(); aligs.arbdb.put_sequence_string(species_name,String); aligs.arbdb.put_SAI("ALI_INSERTS",approx_elem->ins_marker); aligs.arbdb.commit_transaction(); delete sequence; /* * Delete all Objects */ free(align_string); free(align_string_original); delete align_pre_solution; delete align_pre_approx; delete align_profile; delete align_pre_sequence; delete align_pre_sequence_i; } delete align_sequence; } } /* main loop */ ali_message("Aligner terminated\n"); return 0; } ./arbsrc_9167/NALIGNER/ali_misc.hxx0000644012664100000130000001112311440742777016662 0ustar arb_buildcoders #ifndef _ALI_MISC_INC_ #define _ALI_MISC_INC_ #ifndef _CPP_CSTDIO #include #endif #ifndef _CPP_CSTDLIB #include #endif #ifndef _UNISTD_H #include #endif #ifndef _MEMORY_H #include #endif #ifndef ATTRIBUTES_H #include #endif #define ALI_A_CODE 0 #define ALI_C_CODE 1 #define ALI_G_CODE 2 #define ALI_U_CODE 3 #define ALI_GAP_CODE 4 #define ALI_N_CODE 5 #define ALI_DOT_CODE 6 #define ALI_UNDEF_CODE 200 /***************************************************************************** * * Some Error Funktions * *****************************************************************************/ inline void ali_message(const char *message, const char *func = "") { fprintf(stdout,"%s %s\n",func,message); } inline void ali_warning(const char *message, const char *func = "") { fprintf(stderr,"WARNING %s: %s\n",func,message); } void ali_error(const char *message, const char *func = "") __ATTR__NORETURN; void ali_fatal_error(const char *message, const char *func = "") __ATTR__NORETURN; inline void *CALLOC(long i,long j) { char *v = (char *)malloc(i*j); if (!v) { ali_fatal_error("Out of Memory"); } memset(v,0,i*j); return v; } /***************************************************************************** * * Some Converters * *****************************************************************************/ inline int ali_is_base(char c) { return (c == 'a' || c == 'A' || c == 'c' || c == 'C' || c == 'g' || c == 'G' || c == 'u' || c == 'U' || c == 't' || c == 'T' || c == 'n' || c == 'N'); } inline int ali_is_base(unsigned char c) { return ( (c <= 3) || (c == 5)); } inline int ali_is_real_base(char c) { return (c == 'a' || c == 'A' || c == 'c' || c == 'C' || c == 'g' || c == 'G' || c == 'u' || c == 'U' || c == 't' || c == 'T'); } inline int ali_is_real_base(unsigned char c) { return ( c <= 3); } inline int ali_is_real_base_or_gap(char c) { return (c == 'a' || c == 'A' || c == 'c' || c == 'C' || c == 'g' || c == 'G' || c == 'u' || c == 'U' || c == 't' || c == 'T' || c == '-'); } inline int ali_is_real_base_or_gap(unsigned char c) { return ( c <= 4); } inline int ali_is_dot(char c) { return (c == '.'); } inline int ali_is_dot(unsigned char c) { return (c == 6); } inline int ali_is_nbase(char c) { return (c == 'n'); } inline int ali_is_nbase(unsigned char c) { return (c == 5); } inline int ali_is_gap(char c) { return (c == '-'); } inline int ali_is_gap(unsigned char c) { return (c == 4); } inline unsigned char ali_base_to_number(char c, int no_gap_flag = 0) { switch (c) { case 'a': case 'A': return(0); case 'c': case 'C': return(1); case 'g': case 'G': return(2); case 'u': case 'U': case 't': case 'T': return(3); case '-': if (no_gap_flag == 0) return(4); else return(6); case 'n': case 'N': return(5); case '.': return(6); default: ali_warning("Replace unknowen Base by 'n'"); return(5); } } inline char ali_number_to_base(unsigned char n) { switch(n) { case 0: return 'a'; case 1: return 'c'; case 2: return 'g'; case 3: return 'u'; case 4: return '-'; case 5: return 'n'; case 6: return '.'; default: ali_warning("Replace unknowen Number by '.'"); printf("received %d\n",n); ali_fatal_error("STOP"); return '.'; } } inline void ali_string_to_sequence(char *sequence) { for (; *sequence != '\0' && !ali_is_base(*sequence); sequence++) *sequence = (char) ali_base_to_number(*sequence,1); for (; *sequence != '\0'; sequence++) *sequence = (char) ali_base_to_number(*sequence); } inline void ali_sequence_to_string(unsigned char *sequence, unsigned long length) { for (; length-- > 0; sequence++) *sequence = (unsigned char) ali_number_to_base(*sequence); } inline void ali_sequence_to_postree_sequence(unsigned char *sequence, unsigned long length) { for (; length-- > 0; sequence++) if (ali_is_base(*sequence)) { if (ali_is_nbase(*sequence)) *sequence = 4; } else { ali_warning("Unknowen symbol replaced by 'n'"); *sequence = 4; } } inline void ali_print_sequence(unsigned char *sequence, unsigned long length) { for (; length-- > 0; sequence++) printf("%d ",*sequence); } #endif ./arbsrc_9167/NALIGNER/ali_other_stuff.hxx0000644012664100000130000000027711440742777020267 0ustar arb_buildcoders #ifndef _ALI_OTHER_STUFF_INC_ #define _ALI_OTHER_STUFF_INC_ #include extern "C" { #include } #include #include #include #endif ./arbsrc_9167/NALIGNER/ali_pathmap.cxx0000644012664100000130000002337711440742777017372 0ustar arb_buildcoders // #include #include #include "ali_pathmap.hxx" #include "ali_misc.hxx" ALI_PATHMAP::ALI_PATHMAP(unsigned long w, unsigned long h) { width = w; height = h; height_real = (h / 2) + 1; pathmap = (unsigned char **) CALLOC((unsigned int) (height_real * w), sizeof(unsigned char)); //pathmap = (unsigned char (*)[1]) CALLOC((unsigned int) (height_real * w), sizeof(unsigned char)); up_pointers = (ALI_TARRAY < ali_pathmap_up_pointer > ****) CALLOC((unsigned int) w, sizeof(ALI_TARRAY < ali_pathmap_up_pointer > *)); //up_pointers = (ALI_TARRAY < ali_pathmap_up_pointer > **(*)[1]) CALLOC((unsigned int) w, sizeof(ALI_TARRAY < ali_pathmap_up_pointer > *)); optimized = (unsigned char **) CALLOC((unsigned int) ((w / 8) + 1), sizeof(unsigned char)); //optimized = (unsigned char (*)[1]) CALLOC((unsigned int) ((w / 8) + 1), sizeof(unsigned char)); if (pathmap == 0 || up_pointers == 0 || optimized == 0) ali_fatal_error("Out of memory"); } ALI_PATHMAP::~ALI_PATHMAP(void) { unsigned long l; if (pathmap) free((char *) pathmap); if (up_pointers) { for (l = 0; l < width; l++) if ((*up_pointers)[l]) free((char *) (*up_pointers)[l]); free((char *) up_pointers); } if (optimized) free((char *) optimized); } /* * Set a value in the pathmap */ void ALI_PATHMAP:: set(unsigned long x, unsigned long y, unsigned char val, ALI_TARRAY < ali_pathmap_up_pointer > *up_pointer) { if (x >= width || y >= height) ali_fatal_error("Out of range", "ALI_PATHMAP::set()"); if (val & ALI_LUP) { if ((*up_pointers)[x] == 0) { (*up_pointers)[x] = (ALI_TARRAY < ali_pathmap_up_pointer > **) CALLOC((unsigned int) height, sizeof(ALI_TARRAY < ali_pathmap_up_pointer > *)); if ((*up_pointers)[x] == 0) ali_fatal_error("Out of memory"); (*optimized)[x / 8] &= (unsigned char) ~(0x01 << (7 - (x % 8))); } if ((*optimized)[x / 8] & (0x01 << (7 - (x % 8)))) ali_fatal_error("Try to change optimized value", "ALI_PATHMAP::set()"); (*up_pointers)[x][y] = up_pointer; } if (y & 0x01) val &= 0x0f; else val <<= 4; (*pathmap)[x * height_real + (y >> 1)] |= val; } /* * Get a value from the pathmap */ void ALI_PATHMAP:: get(unsigned long x, unsigned long y, unsigned char *val, ALI_TARRAY < ali_pathmap_up_pointer > **up_pointer) { unsigned long l, counter; *up_pointer = 0; if (x >= width || y >= height) { ali_fatal_error("Out of range", "ALI_PATHMAP::get()"); } if (y & 0x01) *val = (*pathmap)[x * height_real + (y >> 1)] & 0x0f; else *val = (*pathmap)[x * height_real + (y >> 1)] >> 4; if (*val & ALI_LUP) { if ((*optimized)[x / 8] & (0x01 << (7 - (x % 8)))) { for (l = 0, counter = 0; l < y / 2; l++) { if ((*pathmap)[x * height_real + l] & ALI_LUP) counter++; if (((*pathmap)[x * height_real + l] >> 4) & ALI_LUP) counter++; } if (y & 0x01 && ((*pathmap)[x * height_real + l] >> 4) & ALI_LUP) counter++; *up_pointer = (*up_pointers)[x][counter]; } else *up_pointer = (*up_pointers)[x][y]; } } /* * optimize the pathmap (the dynamic field with up_pointers) */ void ALI_PATHMAP:: optimize(unsigned long x) { unsigned long l, counter; ALI_TARRAY < ali_pathmap_up_pointer > *(*buffer)[]; if ((*up_pointers)[x] == 0 || (*optimized)[x / 8] & (0x01 << (7 - (x % 8)))) return; for (l = 0, counter = 0; l < height; l++) if ((*up_pointers)[x][l] != 0) counter++; if (counter == 0) { free((char *) (*up_pointers)[x]); (*up_pointers)[x] = 0; return; } (*optimized)[x / 8] |= (unsigned char) (0x01 << (7 - (x % 8))); buffer = (ALI_TARRAY < ali_pathmap_up_pointer > *(*)[]) CALLOC((unsigned int) counter + 1, sizeof(ALI_TARRAY < ali_pathmap_up_pointer > *)); if (buffer == 0) ali_fatal_error("Out of memory"); for (l = 0, counter = 0; l < height; l++) if ((*up_pointers)[x][l] != 0) (*buffer)[counter++] = (*up_pointers)[x][l]; (*buffer)[counter] = 0; free((char *) (*up_pointers)[x]); (*up_pointers)[x] = (ALI_TARRAY < ali_pathmap_up_pointer > **) buffer; } void ALI_PATHMAP:: print(void) { ali_pathmap_up_pointer up; unsigned long x, y, i; unsigned char val; printf("PATH_MATRIX:\n"); for (y = 0; y < height; y++) { for (x = 0; x < width; x++) { if (y & 0x01) val = (*pathmap)[x * height_real + y / 2] & 0x0f; else val = (*pathmap)[x * height_real + y / 2] >> 4; printf("%d ", val); } printf("\n"); } printf("UP_POINTERS:\n"); for (x = 0; x < width; x++) { if ((*up_pointers)[x]) { printf("%3ld : ", x); if ((*optimized)[x / 8] & 0x01 << (7 - (x % 8))) { for (y = 0; (*up_pointers)[x][y] != 0; y++) { printf("("); for (i = 0; i < (*up_pointers)[x][y]->size(); i++) { up = (*up_pointers)[x][y]->get(i); printf("%ld:%d ", up.start, up.operation); } printf(") "); } } else { for (y = 0; y < height; y++) { printf("("); if ((*up_pointers)[x][y]) { for (i = 0; i < (*up_pointers)[x][y]->size(); i++) { up = (*up_pointers)[x][y]->get(i); printf("%ld:%d ", up.start, up.operation); } } printf(") "); } } printf("\n"); } } } /*************************************************************** * * TEST PART * *************************************************************** #include "ali_tarray.hxx" ALI_TARRAY *array1, *array2; void init_pathmap(ALI_PATHMAP *pmap) { pmap->set(0,0,ALI_LEFT); pmap->set(0,1,ALI_DIAG); pmap->set(0,2,ALI_UP); pmap->set(0,3,ALI_LUP,array1); pmap->set(0,4,ALI_LEFT); pmap->set(0,5,ALI_DIAG); pmap->set(0,6,ALI_UP); pmap->set(0,7,ALI_LUP,array2); pmap->set(1,0,ALI_LEFT|ALI_DIAG); pmap->set(1,1,ALI_LEFT|ALI_UP); pmap->set(1,2,ALI_LEFT|ALI_LUP,array2); pmap->set(1,3,ALI_LEFT|ALI_DIAG); pmap->set(1,4,ALI_LEFT|ALI_UP); pmap->set(1,5,ALI_LEFT|ALI_LUP,array1); pmap->set(30,23,ALI_LEFT); pmap->set(30,24,ALI_DIAG); pmap->set(30,25,ALI_UP); pmap->set(30,26,ALI_LUP,array1); pmap->set(30,27,ALI_LEFT); pmap->set(30,28,ALI_DIAG); pmap->set(30,29,ALI_UP); pmap->set(30,30,ALI_LUP,array2); pmap->set(29,25,ALI_LEFT|ALI_DIAG); pmap->set(29,26,ALI_LEFT|ALI_UP); pmap->set(29,27,ALI_LEFT|ALI_LUP,array2); pmap->set(29,28,ALI_LEFT|ALI_DIAG); pmap->set(29,29,ALI_LEFT|ALI_UP); pmap->set(29,30,ALI_LEFT|ALI_LUP,array1); } void print_array(ALI_TARRAY *array) { unsigned long l; ali_pathmap_up_pointer up; if (array == 0) return; printf("<"); for (l = 0; l < array->size(); l++) { up = array->get(l); printf("%d:%d ",up.start,up.operation); } printf(">"); } void check_pathmap(ALI_PATHMAP *pmap) { unsigned long l; unsigned char val; ALI_TARRAY *array_of_pointer; printf("******************\n"); for (l = 0; l < 8; l++) { pmap->get(0,l,&val,&array_of_pointer); printf("(0,%d) %d ",l,val); print_array(array_of_pointer); printf("\n"); } for (l = 0; l < 6; l++) { pmap->get(1,l,&val,&array_of_pointer); printf("(1,%d) %d ",l,val); print_array(array_of_pointer); printf("\n"); } for (l = 23; l < 31; l++) { pmap->get(29,l,&val,&array_of_pointer); printf("(29,%d) %d ",l,val); print_array(array_of_pointer); printf("\n"); } for (l = 25; l < 31; l++) { pmap->get(30,l,&val,&array_of_pointer); printf("(30,%d) %d ",l,val); print_array(array_of_pointer); printf("\n"); } } main() { ali_pathmap_up_pointer up; ALI_PATHMAP *pmap; array1 = new ALI_TARRAY(3); up.start = 1; up.operation = ALI_LEFT; array1->set(0,up); up.start = 3; up.operation = ALI_DIAG; array1->set(1,up); up.start = 5; up.operation = ALI_LEFT; array1->set(2,up); array2 = new ALI_TARRAY(4); up.start = 2; up.operation = ALI_DIAG; array2->set(0,up); up.start = 4; up.operation = ALI_LEFT; array2->set(1,up); up.start = 8; up.operation = ALI_DIAG; array2->set(2,up); up.start = 16; up.operation = ALI_LEFT; array2->set(3,up); pmap = new ALI_PATHMAP(31,31); init_pathmap(pmap); pmap->print(); check_pathmap(pmap); pmap->optimize(0); pmap->optimize(1); pmap->optimize(30); pmap->optimize(29); pmap->print(); check_pathmap(pmap); } *****************************************************************/ ./arbsrc_9167/NALIGNER/ali_pathmap.hxx0000644012664100000130000000244011440742777017363 0ustar arb_buildcoders #ifndef _ALI_PATHMAP_INC_ #define _ALI_PATHMAP_INC_ #include "ali_tarray.hxx" #define ALI_UNDEF 0x00 #define ALI_LEFT 0x01 #define ALI_DIAG 0x02 #define ALI_UP 0x04 #define ALI_LUP 0x08 /* * Structure for a long up pointer (a multi gap) */ struct ali_pathmap_up_pointer { unsigned long start; unsigned char operation; }; class ALI_PATHMAP { unsigned long width, height; unsigned long height_real; unsigned char **pathmap; ALI_TARRAY ****up_pointers; unsigned char **optimized; public: ALI_PATHMAP(unsigned long width, unsigned long height); ~ALI_PATHMAP(void); void set(unsigned long x, unsigned long y, unsigned char val, ALI_TARRAY *up_pointer = 0); void get(unsigned long x, unsigned long y, unsigned char *val, ALI_TARRAY **up_pointer); unsigned char get_value(unsigned long x, unsigned long y) { if (x >= width || y >= height) ali_fatal_error("Out of range","ALI_PATHMAP::get_value()"); if (y & 0x01) return (*pathmap)[x*height_real + y/2] & 0x0f; else return (*pathmap)[x*height_real + y/2] >> 4; } void optimize(unsigned long x); void print(void); }; #endif ./arbsrc_9167/NALIGNER/ali_postree.cxx0000644012664100000130000003756511440742777017425 0ustar arb_buildcoders // #include #include "ali_misc.hxx" #include "ali_tlist.hxx" #include "ali_postree.hxx" /***************************************************************************** * * STRUCT: ALI_POSTREE_NODE * *****************************************************************************/ ALI_POSTREE_NODE::ALI_POSTREE_NODE(ALI_POSTREE_NODE_TYPE t, unsigned long nochild_position) { typ = t; if (typ == Node) { node.number_of_children = nochild_position; node.children = (ALI_POSTREE_NODE *(*) []) CALLOC((unsigned int) nochild_position, sizeof(ALI_POSTREE_NODE *)); if (node.children == 0) ali_fatal_error("Out of memory"); } else { leaf.position = nochild_position; leaf.next = 0; } } ALI_POSTREE_NODE::~ALI_POSTREE_NODE(void) { if (typ == Node) { while (node.number_of_children-- > 0) { if ((*node.children)[node.number_of_children]) delete (*node.children)[node.number_of_children]; } free((char *) node.children); } } ALI_POSTREE_NODE *ALI_POSTREE_NODE::leftmost_leaf(void) { ALI_POSTREE_NODE *n = this; long i; while (n->typ == Node) { for (i = 0; i < n->node.number_of_children && !(*n->node.children)[i]; i++); if (i < n->node.number_of_children) n = (*n->node.children)[i]; else ali_fatal_error("Found node without leaf", "ALI_POSTREE_NODE::leftmost_leaf()"); } return n; } ALI_POSTREE_NODE *ALI_POSTREE_NODE::rightmost_leaf(void) { ALI_POSTREE_NODE *n = this; long i; while (n->typ == Node) { for (i = (long) n->node.number_of_children - 1; i >= 0 && !(*n->node.children)[i]; i--); if (i >= 0) n = (*n->node.children)[i]; else ali_fatal_error("Found node without leaf", "ALI_POSTREE_NODE::rightmost_leaf()"); } return n; } ALI_POSTREE_NODE *ALI_POSTREE_NODE::link_leafs(ALI_POSTREE_NODE *last) { long i; if (typ == Node) { for (i = (long) node.number_of_children - 1; i >= 0; i--) if ((*node.children)[i]) last = (*node.children)[i]->link_leafs(last); } else { leaf.next = last; last = this; } return last; } void ALI_POSTREE_NODE::print(unsigned long depth) { unsigned long l, nr; if (typ == Node) { for (nr = 0; nr < node.number_of_children; nr++) { for (l = 0; l < depth; l++) printf(" "); printf("%2d:\n",nr); if ((*node.children)[nr]) (*node.children)[nr]->print(depth+1); } } else { for (l = 0; l < depth; l++) printf(" "); printf("<%d>\n",leaf.position); } } /***************************************************************************** * * CLASS: ALI_POSTREE (PRIVAT) * * DESCRIPTION: Implementation of a position tree * *****************************************************************************/ unsigned char *ALI_POSTREE::make_postree_sequence( unsigned char *seq, unsigned long seq_len, unsigned char terminal) { unsigned char *buffer, *src, *dst; buffer = (unsigned char *) CALLOC((unsigned int) seq_len + 1, sizeof(unsigned char)); if (buffer == 0) ali_fatal_error("Out of memory"); for (src = seq, dst = buffer; src < seq + seq_len;) *dst++ = *src++; *dst = terminal; return buffer; } void ALI_POSTREE::insert(unsigned char *seq, unsigned char terminal) { ALI_POSTREE_NODE *v; unsigned char *akt, *pos = seq; unsigned long position; for (position = 0; *pos != terminal && *pos < number_of_branches; position++, pos++) { akt = pos; v = root; /* * Find maximal equal path in POSTREE */ while ((*v->node.children)[*akt] && (*v->node.children)[*akt]->is_node()) v = (*v->node.children)[*akt++]; /* * Make a unique leaf for the new prefix */ if (!(*v->node.children)[*akt]) (*v->node.children)[*akt] = new ALI_POSTREE_NODE(Leaf,position); else { ALI_POSTREE_NODE *old_leaf = (*v->node.children)[*akt]; unsigned char *akt2 = (unsigned char *) ((int) seq + (int) old_leaf->leaf.position + (int) akt - (int) pos); /* * Expande equal part of path in prefix tree */ while (*akt == *akt2) { (*v->node.children)[*akt] = new ALI_POSTREE_NODE(Node, number_of_branches); v = (*v->node.children)[*akt]; akt++; akt2++; } (*v->node.children)[*akt2] = old_leaf; (*v->node.children)[*akt] = new ALI_POSTREE_NODE(Leaf,position); } } if (*pos >= number_of_branches) ali_fatal_error("Unexpected value","ALI_POSTREE::insert()"); if ((*root->node.children)[*pos]) ali_fatal_error("Terminal occupied","ALI_POSTREE::insert()"); else (*root->node.children)[*pos] = new ALI_POSTREE_NODE(Leaf,position); } void ALI_POSTREE::link_leafs(void) { ALI_POSTREE_NODE *first; first = root->link_leafs(0); } ali_postree_sol *ALI_POSTREE::make_postree_solution( ALI_POSTREE_NODE *first, ALI_POSTREE_NODE *last, unsigned long min_pos, unsigned long max_pos, unsigned long seq_len, unsigned long errors, ALI_TSTACK *stack) { unsigned long i; ali_postree_sol *solution = 0; ALI_TLIST *pos_list = 0; /* * Make list of positions and make _insertations_ for the errors */ while (first != last) { if (first->leaf.position >= min_pos && first->leaf.position <= max_pos && first->leaf.position + seq_len + errors <= length_of_sequence) { if (pos_list == 0) pos_list = new ALI_TLIST(first->leaf.position); else pos_list->append_end(first->leaf.position); } first = first->leaf.next; } if (first->leaf.position >= min_pos && first->leaf.position <= max_pos && first->leaf.position + seq_len + errors <= length_of_sequence) { if (pos_list == 0) pos_list = new ALI_TLIST(first->leaf.position); else pos_list->append_end(first->leaf.position); } /* * Make solution with _expanded_ path */ if (pos_list != 0) { for (i = 0; i < errors; i++) stack->push(ALI_POSTREE_STACK_INS); solution = new ali_postree_sol(stack,pos_list); for (i = 0; i < errors; i++) stack->pop(); } return solution; } unsigned long ALI_POSTREE::maximal_position(ALI_POSTREE_NODE *first, ALI_POSTREE_NODE *last) { unsigned long maximum; maximum = first->leaf.position; while (first != last) { first = first->leaf.next; if (first->leaf.position > maximum) maximum = first->leaf.position; } return maximum; } void ALI_POSTREE::handle_remaining_sequence( unsigned char *seq, unsigned long seq_len, unsigned long seq_pos, unsigned long im_seq_len, unsigned long min_pos, unsigned long max_pos, unsigned long ref_pos, unsigned long errors, ALI_TSTACK *stack, ALI_TLIST *sol_list) { ali_postree_sol *solution, *new_solution; ALI_TSTACK *new_stack; ALI_TLIST *pos_list; ALI_TLIST *new_sol_list; int ok_flag = 0; if (ref_pos < min_pos || ref_pos > max_pos) return; new_sol_list = new ALI_TLIST; new_stack = new ALI_TSTACK(seq_len - seq_pos + errors + 1); finder(root,seq + seq_pos,seq_len - seq_pos, 0, 0, ref_pos + im_seq_len,ref_pos + im_seq_len,errors, new_stack,new_sol_list); /* * Generate solutions */ if (!new_sol_list->is_empty()) { new_solution = new_sol_list->first(); pos_list = new ALI_TLIST(ref_pos); solution = new ali_postree_sol(stack,pos_list,"",new_solution->path); delete new_solution; sol_list->append_end(solution); while (new_sol_list->is_next()) { new_solution = new_sol_list->next(); pos_list = new ALI_TLIST(ref_pos); solution = new ali_postree_sol(stack,pos_list,"",new_solution->path); delete new_solution; sol_list->append_end(solution); } } delete new_stack; delete new_sol_list; } void ALI_POSTREE::finder(ALI_POSTREE_NODE *n, unsigned char *seq, unsigned long seq_len, unsigned long seq_pos, unsigned long im_seq_len, unsigned long min_pos, unsigned long max_pos, unsigned long errors, ALI_TSTACK *stack, ALI_TLIST *sol_list) { ALI_POSTREE_NODE *first, *last; ali_postree_sol *solution = 0; unsigned long i; /* * Found end of sequence */ if (seq_pos >= seq_len) { if (n->is_leaf()) { first = n; last = n; } else { first = n->leftmost_leaf(); last = n->rightmost_leaf(); } solution = make_postree_solution(first,last,min_pos,max_pos, im_seq_len,errors,stack); if (solution) sol_list->append_end(solution); } else { /* * Found unique position */ if (n->is_leaf()) { handle_remaining_sequence(seq,seq_len,seq_pos,im_seq_len, min_pos,max_pos,n->leaf.position,errors, stack,sol_list); } /* * Recursive search */ else { if ((*n->node.children)[seq[seq_pos]]) { stack->push(ALI_POSTREE_STACK_SUB); finder((*n->node.children)[seq[seq_pos]],seq,seq_len,seq_pos + 1, im_seq_len + 1,min_pos, max_pos, errors, stack, sol_list); stack->pop(); } /* * Recursive search with errors */ if (errors > 0) { /* * Deletion (in seq) */ stack->push(ALI_POSTREE_STACK_DEL); finder(n,seq,seq_len,seq_pos + 1,im_seq_len,min_pos,max_pos, errors - 1,stack,sol_list); stack->pop(); for (i = 0; i < number_of_branches; i++) { if ((*n->node.children)[i]) { /* * Insertion (in seq) */ stack->push(ALI_POSTREE_STACK_INS); finder((*n->node.children)[i],seq,seq_len,seq_pos, im_seq_len + 1,min_pos, max_pos, errors - 1, stack, sol_list); stack->pop(); /* * Substitution */ if (i != seq[seq_pos]) { stack->push(ALI_POSTREE_STACK_SUB); finder((*n->node.children)[i],seq,seq_len,seq_pos + 1, im_seq_len + 1, min_pos, max_pos, errors - 1, stack, sol_list); stack->pop(); } } } } } } } /***************************************************************************** * * CLASS: ALI_POSTREE (PUBLIC) * * DESCRIPTION: Implementation of a position tree * *****************************************************************************/ ALI_POSTREE::ALI_POSTREE(unsigned long branches, unsigned char *seq, unsigned long seq_len, unsigned char terminal) { unsigned char *seq_buffer; length_of_sequence = seq_len; number_of_branches = branches + 1; root = new ALI_POSTREE_NODE(Node,number_of_branches); seq_buffer = make_postree_sequence(seq,seq_len,terminal); insert(seq_buffer,terminal); link_leafs(); free((char *) seq_buffer); } ALI_TLIST *ALI_POSTREE::find( unsigned char *seq, unsigned long seq_len, unsigned long min_pos, unsigned long max_pos, unsigned long errors) { ALI_TLIST *sol_list; ALI_TSTACK *stack; sol_list = new ALI_TLIST; stack = new ALI_TSTACK(seq_len + errors + 1); finder(root,seq,seq_len,0,0,min_pos,max_pos,errors,stack,sol_list); delete stack; return sol_list; } ALI_TLIST *ALI_POSTREE::find_complement( unsigned char *seq, unsigned long seq_len, unsigned long min_pos, unsigned long max_pos, float max_costs) { ALI_TLIST *sol_list; ALI_TSTACK *stack; sol_list = new ALI_TLIST; stack = new ALI_TSTACK(2 * seq_len); /* compl_finder(root,seq,seq_len,0,0,min_pos,max_pos,max_costs,stack,sol_list); */ delete stack; return sol_list; } void ALI_POSTREE::print(void) { root->print(0); } /************************** * * TESTPART * ************************** unsigned char seq[] = {1,1,0,1,1,3,1,1,5,1,1}; unsigned long seq_len = 11; unsigned char fseq[] = {1,1,3,1,1}; unsigned long fseq_len = 5; void print_sol(ALI_TLIST *sol_list) { int i; ALI_TLIST *pos_list; ali_postree_sol *solution; printf("SOL:\n"); i = 1; while (!sol_list->is_empty()) { solution = sol_list->first(); pos_list = solution->position_list; sol_list->delete_element(); if (!pos_list->is_empty()) { printf("%2d <%s> : %d",i,solution->path,pos_list->first()); while (pos_list->is_next()) printf(", %d",pos_list->next()); } else printf("%2d : empty",i); printf("\n"); delete solution; i++; } delete sol_list; } main() { ALI_TLIST *sol_list; ALI_POSTREE pos_tree(5,seq,seq_len,4); pos_tree.print(); printf("0 Fehler\n"); sol_list = pos_tree.find(fseq,fseq_len,0,10,0); print_sol(sol_list); printf("1 Fehler\n"); sol_list = pos_tree.find(fseq,fseq_len,0,10,1); print_sol(sol_list); printf("2 Fehler\n"); sol_list = pos_tree.find(fseq,fseq_len,0,10,2); print_sol(sol_list); printf("3 Fehler\n"); sol_list = pos_tree.find(fseq,fseq_len,0,10,3); print_sol(sol_list); } ***************************************/ ./arbsrc_9167/NALIGNER/ali_postree.hxx0000644012664100000130000001220311440742777017410 0ustar arb_buildcoders #ifndef _ALI_POSTREE_INC_ #define _ALI_POSTREE_INC_ #include // #include #include "ali_misc.hxx" #include "ali_tlist.hxx" #include "ali_tstack.hxx" /***************************************************************************** * * STRUCT: ALI_POSTREE_NODE * *****************************************************************************/ enum ALI_POSTREE_NODE_TYPE {Node, Leaf}; struct ALI_POSTREE_NODE { ALI_POSTREE_NODE_TYPE typ; union { struct ALI_POSTREE_LEAF_PART { /* leaf part */ unsigned long position; struct ALI_POSTREE_NODE *next; } leaf; struct ALI_POSTREE_NODE_PART { /* node part */ unsigned long number_of_children; struct ALI_POSTREE_NODE *(*children)[]; } node; }; ALI_POSTREE_NODE(ALI_POSTREE_NODE_TYPE t, unsigned long nochild_position = 0); ~ALI_POSTREE_NODE(void); int is_leaf(void) { return (typ == Leaf); } int is_node(void) { return (typ == Node); } ALI_POSTREE_NODE *leftmost_leaf(void); ALI_POSTREE_NODE *rightmost_leaf(void); ALI_POSTREE_NODE *link_leafs(ALI_POSTREE_NODE *last); void print(unsigned long depth); }; /***************************************************************************** * * CLASS: ALI_POSTREE * *****************************************************************************/ struct ali_postree_sol { char *path; ALI_TLIST *position_list; ali_postree_sol(char *p, ALI_TLIST *pos) { path = p; position_list = pos; } ali_postree_sol(ALI_TSTACK *stack, ALI_TLIST *pos, char *prefix = "", char *postfix = "") { unsigned long i, akt; position_list = pos; path = (char *) calloc(strlen(prefix) + (unsigned int)stack->akt_size() + strlen(postfix) + 1, sizeof(char)); if (path == 0) ali_fatal_error("Out of memory"); for (akt = 0; akt < strlen(prefix); akt++) path[akt] = prefix[akt]; for (i = 0; i < stack->akt_size(); i++, akt++) path[akt] = stack->get(i); for (i = 0; i < strlen(postfix); i++, akt++) path[akt] = postfix[i]; path[akt] = '\0'; } ~ali_postree_sol(void) { if (path) free((char *) path); if (position_list) delete position_list; } }; #define ALI_POSTREE_STACK_INS 'I' #define ALI_POSTREE_STACK_DEL 'D' #define ALI_POSTREE_STACK_SUB 'S' class ALI_POSTREE { unsigned long length_of_sequence; unsigned long number_of_branches; ALI_POSTREE_NODE *root; unsigned char *make_postree_sequence( unsigned char *seq, unsigned long seq_len, unsigned char terminal); void insert(unsigned char *seq, unsigned char terminal); void link_leafs(void); ali_postree_sol *make_postree_solution( ALI_POSTREE_NODE *first, ALI_POSTREE_NODE *last, unsigned long min_pos, unsigned long max_pos, unsigned long seq_len, unsigned long errors, ALI_TSTACK *stack); unsigned long maximal_position(ALI_POSTREE_NODE *first, ALI_POSTREE_NODE *last); void handle_remaining_sequence( unsigned char *seq, unsigned long seq_len, unsigned long seq_pos, unsigned long im_seq_len, unsigned long min_pos, unsigned long max_pos, unsigned long ref_pos, unsigned long errors, ALI_TSTACK *stack, ALI_TLIST *sol_list); void finder(ALI_POSTREE_NODE *n, unsigned char *seq, unsigned long seq_len, unsigned long seq_pos, unsigned long im_seq_len, unsigned long min_pos, unsigned long max_pos, unsigned long errors, ALI_TSTACK *stack, ALI_TLIST *sol_list); public: ALI_POSTREE(unsigned long branches, unsigned char *seq, unsigned long seq_len, unsigned char terminal = 4); ~ALI_POSTREE(void) { delete root; } ALI_TLIST *find( unsigned char *seq, unsigned long seq_len, unsigned long min_pos, unsigned long max_pos, unsigned long errors = 0); ALI_TLIST *find_complement( unsigned char *seq, unsigned long seq_len, unsigned long min_pos, unsigned long max_pos, float costs = 0.0); void print(void); }; #endif ./arbsrc_9167/NALIGNER/ali_prealigner.cxx0000644012664100000130000013064011440742777020060 0ustar arb_buildcoders#include #include "ali_prealigner.hxx" #include "ali_aligner.hxx" unsigned long random_stat[6] = {0, 0, 0, 0, 0, 0}; /***************************************************************************** * * structure ali_prealigner_mask * *****************************************************************************/ /* * Insert a new map */ void ali_prealigner_mask:: insert(ALI_MAP * in_map, float costs) { unsigned long i; calls++; if (map == 0) { map = in_map; cost_of_binding = costs; } else { if (costs > cost_of_binding) { delete in_map; return; } if (map->first_base() != in_map->first_base() || map->last_base() != in_map->last_base() || map->first_reference_base() != in_map->first_reference_base() || map->last_reference_base() != in_map->last_reference_base()) { ali_fatal_error("Incompatible maps", "ali_prealigner_mask::insert()"); } if (costs < cost_of_binding) { delete map; map = in_map; cost_of_binding = costs; last_new = calls; last_joins = 0; return; } joins++; last_joins++; for (i = map->first_base(); i <= map->last_base(); i++) if ((!map->is_undefined(i)) && map->position(i) != in_map->position(i)) map->undefine(i); delete in_map; } } /* * Delete expensive parts of solution */ void ali_prealigner_mask:: delete_expensive(ALI_PREALIGNER_CONTEXT * context, ALI_PROFILE * profile) { ALI_MAP *inverse_map; unsigned long start_hel, end_hel; unsigned long start_seq, end_seq; unsigned long start_mapped, end_mapped; unsigned long start_ok=0, end_ok=0; int start_ok_flag; unsigned long found_helix; unsigned long error_counter; unsigned long map_pos, i, j; float max_cost, helix_cost; unsigned long helix_counter; long compl_pos; unsigned char base1, base2; printf("MASK : calls = %ld joins = %ld last_new = %ld last_joins = %ld\n", calls, joins, last_new, last_joins); max_cost = profile->w_sub_maximum() * context->max_cost_of_sub_percent; /* * Delete expensive Bases */ error_counter = 0; for (i = map->first_base(); i <= map->last_base(); i++) { if (!(map->is_inserted(i)) && profile->w_sub(map->position(i), i) > max_cost) { error_counter++; if (error_counter > context->error_count) map->undefine(i); else { if (error_counter == context->error_count) { for (j = i - error_counter + 1; j <= i; j++) map->undefine(j); } } } else { /* * If error was in helix => delete helix total */ if (error_counter > 0 && profile->is_in_helix(map->position(i - 1), &start_hel, &end_hel)) { for (j = i - 1; map->position(j) >= long(start_hel); j--) ; for (; map->position(j) <= long(end_hel); j++) map->undefine(j); } error_counter = 0; } } /* * Delete expensive Helizes */ inverse_map = map->inverse_without_inserts(); for (i = inverse_map->first_base(); i <= inverse_map->last_base(); i++) { /* * found a helix */ if (profile->is_in_helix(i, &start_hel, &end_hel)) { if (i != start_hel) ali_fatal_error("Inconsistent positions", "ali_prealigner_mask::delete_expensive()"); compl_pos = profile->complement_position(start_hel); /* * only forward bindings */ if (compl_pos > long(end_hel)) { helix_cost = 0.0; helix_counter = 0; while (i <= end_hel) { /* * is binding ? */ if (compl_pos > 0) { if (!inverse_map->is_undefined(i)) { base1 = (profile->sequence())->base( inverse_map->first_reference_base() + inverse_map->position(i)); } else { base1 = ALI_GAP_CODE; } if (!inverse_map->is_undefined(compl_pos)) { base2 = (profile->sequence())->base( inverse_map->first_reference_base() + inverse_map->position(compl_pos)); } else { base2 = ALI_GAP_CODE; } if (base1 != ALI_GAP_CODE || base2 != ALI_GAP_CODE) { helix_cost += profile->w_bind(i, base1, compl_pos, base2); helix_counter++; } } i++; compl_pos = profile->complement_position(i); } if (helix_counter > 0) helix_cost /= helix_counter; if (helix_cost > context->max_cost_of_helix) { for (j = start_hel; j <= end_hel; j++) { if (!inverse_map->is_undefined(j)) { map->undefine(inverse_map->first_reference_base() + inverse_map->position(j)); } } for (j = profile->complement_position(end_hel); long(j) <= profile->complement_position(start_hel); j++) { if (!inverse_map->is_undefined(j)) { map->undefine(inverse_map->first_reference_base() + inverse_map->position(j)); } } } } i = end_hel; } } delete inverse_map; /* * Check for good parts */ for (map_pos = map->first_base(); map_pos <= map->last_base(); map_pos++) { /* * search next defined segment */ if (!map->is_undefined(map_pos)) { /* * find start and end of segment */ start_seq = map_pos; start_mapped = map->position(map_pos); for (map_pos++; map_pos <= map->last_base() && (!map->is_undefined(map_pos)); map_pos++) ; end_seq = map_pos - 1; end_mapped = map->position(end_seq); /* * Check segment for helizes */ found_helix = 0; start_ok_flag = 0; for (i = start_seq; i <= end_seq; i++) { if (profile->is_in_helix(map->position(i), &start_hel, &end_hel)) { found_helix++; /* * Helix is inside the segment */ if (start_hel >= start_mapped && end_hel <= end_mapped) { if (start_ok_flag == 0) { start_ok = start_hel; start_ok_flag = 1; } end_ok = end_hel; } } } /* * Found good helizes */ if (start_ok_flag == 1) { for (i = start_seq; map->position(i) < long(start_ok); i++) map->undefine(i); for (i = end_seq; map->position(i) > long(end_ok); i--) map->undefine(i); } else { /* * Found bad helizes */ if (found_helix > 0) { for (i = start_seq; i <= end_seq; i++) map->undefine(i); } /* * Segment without helix */ else { if (end_seq - start_seq + 1 >= (unsigned long)((2 * context->intervall_border) + context->intervall_center)) { for (i = start_seq; i < start_seq + context->intervall_border; i++) map->undefine(i); for (i = end_seq; i > end_seq - context->intervall_border; i--) map->undefine(i); } else { for (i = start_seq; i <= end_seq; i++) map->undefine(i); } } } } } } /***************************************************************************** * * class ALI_PREALIGNER (privat) * *****************************************************************************/ GB_INLINE float ALI_PREALIGNER:: minimum2(float a, float b) { return ((a < b) ? a : b); } GB_INLINE float ALI_PREALIGNER:: minimum3(float a, float b, float c) { return ((a < b) ? ((a < c) ? a : c) : ((b < c) ? b : c)); } GB_INLINE void ALI_PREALIGNER:: calculate_first_column_first_cell( ali_prealigner_cell * akt_cell) { float v1, v2, v3; /*** v1 = profile->w_ins(start_x,start_y) + profile->w_del(start_y,start_y); ***/ v1 = profile->w_ins_multi_cheap(start_x, start_y) + profile->w_sub_multi_gap_cheap(start_y, start_y); v2 = profile->w_sub(start_y, start_x); v3 = v1; akt_cell->d = minimum2(v1, v2); if (akt_cell->d == v1) path_map->set(0, 0, ALI_UP | ALI_LEFT); if (akt_cell->d == v2) path_map->set(0, 0, ALI_DIAG); } GB_INLINE void ALI_PREALIGNER:: calculate_first_column_cell( ali_prealigner_cell * up_cell, ali_prealigner_cell * akt_cell, unsigned long pos_y) { float v1, v2, v3; unsigned long positiony; positiony = start_y + pos_y; /*** v1 = up_cell->d + profile->w_del(positiony,positiony); v2 = profile->w_del_multi_unweighted(start_y, positiony - 1) + profile->w_sub(positiony, start_x); v3 = profile->w_del_multi_unweighted(start_y, positiony) + profile->w_ins(start_x,positiony); ***/ v1 = up_cell->d + profile->w_sub_gap(positiony); v2 = profile->w_sub_multi_gap_cheap(start_y, positiony - 1) + profile->w_sub(positiony, start_x); v3 = profile->w_sub_multi_gap_cheap(start_y, positiony) + profile->w_ins(start_x, positiony); akt_cell->d = minimum3(v1, v2, v3); if (v1 == akt_cell->d) path_map->set(0, pos_y, ALI_UP); if (v2 == akt_cell->d) path_map->set(0, pos_y, ALI_DIAG); if (v3 == akt_cell->d) path_map->set(0, pos_y, ALI_LEFT); } void ALI_PREALIGNER:: calculate_first_column(ali_prealigner_column * akt_column) { unsigned long pos_y; calculate_first_column_first_cell(&(*akt_column->cells)[0]); for (pos_y = 1; pos_y < akt_column->column_length; pos_y++) calculate_first_column_cell(&(*akt_column->cells)[pos_y - 1], &(*akt_column->cells)[pos_y], pos_y); } GB_INLINE void ALI_PREALIGNER:: calculate_first_cell( ali_prealigner_cell * left_cell, ali_prealigner_cell * akt_cell, unsigned long pos_x) { float v1, v2, v3; unsigned long positionx; positionx = start_x + pos_x; /*** v1 = profile->w_ins_multi_unweighted(start_x, positionx) + profile->w_del(start_y,start_y); v2 = profile->w_ins_multi_unweighted(start_x, positionx - 1) + profile->w_sub(start_y, positionx); ***/ v1 = profile->w_ins_multi_cheap(start_x, positionx) + profile->w_sub_gap(start_y); v2 = profile->w_ins_multi_cheap(start_x, positionx - 1) + profile->w_sub(start_y, positionx); v3 = left_cell->d + profile->w_ins(positionx, start_y); akt_cell->d = minimum3(v1, v2, v3); if (v1 == akt_cell->d) path_map->set(pos_x, 0, ALI_UP); if (v2 == akt_cell->d) path_map->set(pos_x, 0, ALI_DIAG); if (v3 == akt_cell->d) path_map->set(pos_x, 0, ALI_LEFT); } GB_INLINE void ALI_PREALIGNER:: calculate_cell( ali_prealigner_cell * diag_cell, ali_prealigner_cell * left_cell, ali_prealigner_cell * up_cell, ali_prealigner_cell * akt_cell, unsigned long pos_x, unsigned long pos_y) { float v1, v2, v3; unsigned long positionx, positiony; positionx = start_x + pos_x; positiony = start_y + pos_y; /*** v1 = up_cell->d + profile->w_del(positiony,positiony); ***/ v1 = up_cell->d + profile->w_sub_gap(positiony); v2 = diag_cell->d + profile->w_sub(positiony, positionx); v3 = left_cell->d + profile->w_ins(positionx, positiony); akt_cell->d = minimum3(v1, v2, v3); if (v1 == akt_cell->d) path_map->set(pos_x, pos_y, ALI_UP); if (v2 == akt_cell->d) path_map->set(pos_x, pos_y, ALI_DIAG); if (v3 == akt_cell->d) path_map->set(pos_x, pos_y, ALI_LEFT); } void ALI_PREALIGNER:: calculate_column( ali_prealigner_column * prev_col, ali_prealigner_column * akt_col, unsigned long pos_x) { unsigned long pos_y; calculate_first_cell(&(*prev_col->cells)[0], &(*akt_col->cells)[0], pos_x); for (pos_y = 1; pos_y < akt_col->column_length; pos_y++) calculate_cell(&(*prev_col->cells)[pos_y - 1], &(*prev_col->cells)[pos_y], &(*akt_col->cells)[pos_y - 1], &(*akt_col->cells)[pos_y], pos_x, pos_y); } GB_INLINE void ALI_PREALIGNER:: calculate_last_column_first_cell( ali_prealigner_cell * left_cell, ali_prealigner_cell * akt_cell, unsigned long pos_x) { float v1, v2, v3; unsigned long positionx; positionx = start_x + pos_x; /*** v1 = profile->w_ins_multi_unweighted(start_x, positionx) + profile->w_del(start_y,start_y); v2 = profile->w_ins_multi_unweighted(start_x, positionx - 1) + profile->w_sub(start_y, positionx); ***/ v1 = profile->w_ins_multi_cheap(start_x, positionx) + profile->w_sub_gap_cheap(start_y); v2 = profile->w_ins_multi_cheap(start_x, positionx - 1) + profile->w_sub(start_y, positionx); v3 = left_cell->d + profile->w_ins(positionx, start_y); akt_cell->d = minimum3(v1, v2, v3); if (v1 == akt_cell->d) path_map->set(pos_x, 0, ALI_UP); if (v2 == akt_cell->d) path_map->set(pos_x, 0, ALI_DIAG); if (v3 == akt_cell->d) path_map->set(pos_x, 0, ALI_LEFT); } GB_INLINE void ALI_PREALIGNER:: calculate_last_column_cell( ali_prealigner_cell * diag_cell, ali_prealigner_cell * left_cell, ali_prealigner_cell * up_cell, ali_prealigner_cell * akt_cell, unsigned long pos_x, unsigned long pos_y) { float v1, v2, v3; unsigned long positionx, positiony; positionx = start_x + pos_x; positiony = start_y + pos_y; /*** v1 = up_cell->d + profile->w_del(positiony,positiony); ***/ v1 = up_cell->d + profile->w_sub_gap_cheap(positiony); v2 = diag_cell->d + profile->w_sub(positiony, positionx); v3 = left_cell->d + profile->w_ins(positionx, positiony); akt_cell->d = minimum3(v1, v2, v3); if (v1 == akt_cell->d) path_map->set(pos_x, pos_y, ALI_UP); if (v2 == akt_cell->d) path_map->set(pos_x, pos_y, ALI_DIAG); if (v3 == akt_cell->d) path_map->set(pos_x, pos_y, ALI_LEFT); } void ALI_PREALIGNER:: calculate_last_column( ali_prealigner_column * prev_col, ali_prealigner_column * akt_col, unsigned long pos_x) { unsigned long pos_y; calculate_last_column_first_cell(&(*prev_col->cells)[0], &(*akt_col->cells)[0], pos_x); for (pos_y = 1; pos_y < akt_col->column_length; pos_y++) calculate_last_column_cell(&(*prev_col->cells)[pos_y - 1], &(*prev_col->cells)[pos_y], &(*akt_col->cells)[pos_y - 1], &(*akt_col->cells)[pos_y], pos_x, pos_y); } void ALI_PREALIGNER:: calculate_matrix(void) { unsigned long pos_x; ali_prealigner_column *akt_col, *prev_col, *h_col; akt_col = new ali_prealigner_column(end_y - start_y + 1); prev_col = new ali_prealigner_column(end_y - start_y + 1); calculate_first_column(prev_col); for (pos_x = 1; pos_x < end_x - start_x + 1; pos_x++) { if (pos_x == end_x - start_x || profile->is_internal_last(pos_x)) calculate_last_column(prev_col, akt_col, pos_x); else calculate_column(prev_col, akt_col, pos_x); h_col = akt_col; akt_col = prev_col; prev_col = h_col; } delete akt_col; delete prev_col; } #if 0 int ALI_PREALIGNER:: find_multiple_path( unsigned long start_x, unsigned long start_y, unsigned long *end_x, unsigned long *end_y) { unsigned char value; long x1, y1, x2, y2; value = path_map->get_value(start_x, start_y); /* * (x1,y1) is moving left, diag, up */ if (value & ALI_LEFT) { x1 = start_x - 1; y1 = start_y; } else { if (value & ALI_DIAG) { x1 = start_x - 1; y1 = start_y - 1; } else { *end_x = start_x; *end_y = start_y - 1; return 1; } } /* * (x2,y2) is moving up, diag, left */ if (value & ALI_UP) { x2 = start_x; y2 = start_y - 1; } else { if (value & ALI_DIAG) { x2 = start_x - 1; y2 = start_y - 1; } else { *end_x = start_x - 1; *end_y = start_y; return 1; } } while (x1 > 0 && x2 > 0 && y1 > 0 && y2 > 0 && (x1 != x2 || y1 != y2)) { /* * move (x2,y2) */ if (y2 < y1) { value = path_map->get_value((unsigned long) x1, (unsigned long) y1); if (value & ALI_LEFT) { x1--; } else { if (value & ALI_DIAG) { x1--; y1--; } else { y1--; } } } /* * move (x1,y2) */ else { value = path_map->get_value((unsigned long) x2, (unsigned long) y2); if (value & ALI_UP) { y2--; } else { if (value & ALI_DIAG) { x2--; y2--; } else { x2--; } } } } if (x1 == x2 && y1 == y2) { *end_x = x1; *end_y = y1; return 1; } return 0; } #endif /* * Generate a sub_solution by deleting all undefined segments */ void ALI_PREALIGNER:: generate_solution(ALI_MAP * map) { ALI_MAP *seg_map; unsigned long map_pos, map_len; unsigned long start_seg, end_seg, pos_seg; sub_solution = new ALI_SUB_SOLUTION(profile); map_len = map->last_base() - map->first_base() + 1; for (map_pos = map->first_base(); map_pos <= map->last_base(); map_pos++) { /* * search for segment */ for (start_seg = map_pos; start_seg <= map->last_base() && map->is_undefined(start_seg); start_seg++) ; if (start_seg <= map->last_base()) { for (end_seg = start_seg; end_seg <= map->last_base() && (!map->is_undefined(end_seg)); end_seg++) ; end_seg--; seg_map = new ALI_MAP(start_seg, end_seg, map->position(start_seg), map->position(end_seg)); /* * Copy segment */ for (pos_seg = start_seg; pos_seg <= end_seg; pos_seg++) { if (map->is_inserted(pos_seg)) seg_map->set(pos_seg, map->position(pos_seg) - map->position(start_seg), 1); else seg_map->set(pos_seg, map->position(pos_seg) - map->position(start_seg), 0); } if (sub_solution->insert(seg_map) != 1) ali_fatal_error("Inconsistent solution?", "ALI_PREALIGNER::generate_solution()"); map_pos = end_seg; } } } /* * generate the result mask from an stack of operations */ void ALI_PREALIGNER:: generate_result_mask(ALI_TSTACK < unsigned char >*stack) { ALI_SEQUENCE *seq; float cost_of_bindings; ALI_MAP *map; unsigned long seq_pos, dest_pos; long i; map = new ALI_MAP(start_x, end_x, start_y, end_y); seq_pos = start_x; dest_pos = 0; for (i = (long) stack->akt_size() - 1; i >= 0; i--) { switch (stack->get(i)) { case ALI_PREALIGNER_INS: map->set(seq_pos++, dest_pos, 1); break; case ALI_PREALIGNER_SUB: map->set(seq_pos++, dest_pos++, 0); break; case ALI_PREALIGNER_DEL: dest_pos++; break; case ALI_PREALIGNER_INS | ALI_PREALIGNER_MULTI_FLAG: map->set(seq_pos, dest_pos, 1); map->undefine(seq_pos++); break; case ALI_PREALIGNER_SUB | ALI_PREALIGNER_MULTI_FLAG: map->set(seq_pos, dest_pos++, 0); map->undefine(seq_pos++); break; case ALI_PREALIGNER_DEL | ALI_PREALIGNER_MULTI_FLAG: dest_pos++; break; default: ali_fatal_error("Unexpected value", "ALI_PREALIGNER::generate_result_mask()"); } } if (result_mask_counter > 0) result_mask_counter--; seq = map->sequence_without_inserts(profile->sequence()); cost_of_bindings = profile->w_binding(map->first_reference_base(), seq); delete seq; /* * make the intersection */ result_mask.insert(map, cost_of_bindings); } /* * Fill the stack with rest DELs or INSs */ void ALI_PREALIGNER:: mapper_post(ALI_TSTACK < unsigned char >*stack, unsigned long ins_nu, unsigned long del_nu) { if (ins_nu > 0 && del_nu > 0) ali_fatal_error("Unexpected values", "ALI_PREALIGNER::mapper_post()"); if (ins_nu > 0) { stack->push(ALI_PREALIGNER_INS, ins_nu); generate_result_mask(stack); stack->pop(ins_nu); } else { if (del_nu > 0) { stack->push(ALI_PREALIGNER_DEL, del_nu); generate_result_mask(stack); stack->pop(del_nu); } else generate_result_mask(stack); } } /* * Fill the stack with rest DELs or INSs (with MULTI_FLAG) */ void ALI_PREALIGNER:: mapper_post_multi(ALI_TSTACK < unsigned char >*stack, unsigned long ins_nu, unsigned long del_nu) { if (ins_nu > 0 && del_nu > 0) ali_fatal_error("Unexpected values", "ALI_PREALIGNER::mapper_post_multi()"); if (ins_nu > 0) { stack->push(ALI_PREALIGNER_INS | ALI_PREALIGNER_MULTI_FLAG, ins_nu); generate_result_mask(stack); stack->pop(ins_nu); } else { if (del_nu > 0) { stack->push(ALI_PREALIGNER_DEL | ALI_PREALIGNER_MULTI_FLAG, del_nu); generate_result_mask(stack); stack->pop(del_nu); } else generate_result_mask(stack); } } /* * generate a stack of operations by taking a random path of the pathmap */ void ALI_PREALIGNER:: mapper_random(ALI_TSTACK < unsigned char >*stack, unsigned long pos_x, unsigned long pos_y) { unsigned long next_x, next_y; unsigned long random; unsigned char value; unsigned long stack_counter = 0; next_x = pos_x; next_y = pos_y; while (next_x <= pos_x && next_y <= pos_y) { stack_counter++; random = GB_random(6); value = path_map->get_value(next_x, next_y); if (value == 0) ali_fatal_error("Unexpected value (1)", "ALI_PREALIGNER::mapper_random()"); switch (random) { case 0: if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); next_y--; } else { if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); next_x--; next_y--; } else { stack->push(ALI_PREALIGNER_INS); next_x--; } } break; case 1: if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); next_y--; } else { if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); next_x--; } else { stack->push(ALI_PREALIGNER_SUB); next_x--; next_y--; } } break; case 2: if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); next_x--; next_y--; } else { if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); next_y--; } else { stack->push(ALI_PREALIGNER_INS); next_x--; } } break; case 3: if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); next_x--; next_y--; } else { if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); next_x--; } else { stack->push(ALI_PREALIGNER_DEL); next_y--; } } break; case 4: if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); next_x--; } else { if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); next_y--; } else { stack->push(ALI_PREALIGNER_SUB); next_x--; next_y--; } } break; case 5: if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); next_x--; } else { if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); next_x--; next_y--; } else { stack->push(ALI_PREALIGNER_DEL); next_y--; } } break; default: ali_fatal_error("Unexpected random value", "ALI_PREALIGNER::mapper_random()"); } } if (next_x <= pos_x) { mapper_post(stack, next_x + 1, 0); } else { if (next_y <= pos_y) { mapper_post(stack, 0, next_y + 1); } else { mapper_post(stack, 0, 0); } } if (stack_counter > 0) stack->pop(stack_counter); } /* * generate a stack of operations by taking every path */ void ALI_PREALIGNER:: mapper(ALI_TSTACK < unsigned char >*stack, unsigned long pos_x, unsigned long pos_y) { unsigned char value; unsigned long stack_counter = 0; value = path_map->get_value(pos_x, pos_y); if (pos_x == 0 || pos_y == 0) { if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); if (pos_y == 0) mapper_post(stack, pos_x + 1, 0); else mapper(stack, pos_x, pos_y - 1); stack->pop(); } if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); if (pos_y > 0) { mapper_post(stack, 0, pos_y); } else { if (pos_x > 0) { mapper_post(stack, pos_x, 0); } else { mapper_post(stack, 0, 0); } } stack->pop(); } if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); if (pos_x == 0) mapper_post(stack, 0, pos_y + 1); else mapper(stack, pos_x - 1, pos_y); stack->pop(); } return; } /* * follow an unique path */ while (value == ALI_UP || value == ALI_DIAG || value == ALI_LEFT) { stack_counter++; switch (value) { case ALI_UP: stack->push(ALI_PREALIGNER_DEL); pos_y--; break; case ALI_DIAG: stack->push(ALI_PREALIGNER_SUB); pos_x--; pos_y--; break; case ALI_LEFT: stack->push(ALI_PREALIGNER_INS); pos_x--; break; } value = path_map->get_value(pos_x, pos_y); if (pos_x == 0 || pos_y == 0) { if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); if (pos_y == 0) mapper_post(stack, pos_x + 1, 0); else mapper(stack, pos_x, pos_y - 1); stack->pop(); } if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); if (pos_y > 0) { mapper_post(stack, 0, pos_y); } else { if (pos_x > 0) { mapper_post(stack, pos_x, 0); } else { mapper_post(stack, 0, 0); } } stack->pop(); } if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); if (pos_x == 0) mapper_post(stack, 0, pos_y + 1); else mapper(stack, pos_x - 1, pos_y); stack->pop(); } if (stack_counter > 0) stack->pop(stack_counter); return; } } if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL); mapper(stack, pos_x, pos_y - 1); stack->pop(); } if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB); mapper(stack, pos_x - 1, pos_y - 1); stack->pop(); } if (value & ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); mapper(stack, pos_x - 1, pos_y); stack->pop(); } if (stack_counter > 0) stack->pop(stack_counter); } #if 0 void ALI_PREALIGNER:: quick_mapper(ALI_TSTACK < unsigned char >*stack, unsigned long pos_x, unsigned long pos_y) { unsigned long end_x, end_y; unsigned char value; value = path_map->get_value(pos_x, pos_y); while (pos_x > 0 && pos_y > 0) { if (value == ALI_UP || value == ALI_DIAG || value == ALI_LEFT) { switch (value) { case ALI_UP: stack->push(ALI_PREALIGNER_DEL); pos_y--; break; case ALI_DIAG: stack->push(ALI_PREALIGNER_SUB); pos_x--; pos_y--; break; case ALI_LEFT: stack->push(ALI_PREALIGNER_INS); pos_x--; break; } value = path_map->get_value(pos_x, pos_y); } else { if (find_multiple_path(pos_x, pos_y, &end_x, &end_y) == 0) end_x = end_y = 0; while (pos_x != end_x || pos_y != end_y) { if (value & ALI_UP) { stack->push(ALI_PREALIGNER_DEL | ALI_PREALIGNER_MULTI_FLAG); pos_y--; } else { if (value & ALI_DIAG) { stack->push(ALI_PREALIGNER_SUB | ALI_PREALIGNER_MULTI_FLAG); pos_x--; pos_y--; } else { stack->push(ALI_PREALIGNER_INS | ALI_PREALIGNER_MULTI_FLAG); pos_x--; } } value = path_map->get_value(pos_x, pos_y); } } } if (pos_x == 0) { while (pos_y > 0 && value == ALI_UP) { stack->push(ALI_PREALIGNER_DEL); pos_y--; value = path_map->get_value(pos_x, pos_y); } switch (value) { case ALI_UP: stack->push(ALI_PREALIGNER_DEL); mapper_post(stack, pos_x, pos_y); break; case ALI_DIAG: stack->push(ALI_PREALIGNER_SUB); mapper_post(stack, pos_x, pos_y); break; case ALI_LEFT: stack->push(ALI_PREALIGNER_INS); mapper_post(stack, pos_x, pos_y); break; default: stack->push(ALI_PREALIGNER_SUB | ALI_PREALIGNER_MULTI_FLAG); mapper_post_multi(stack, pos_x, pos_y); } } else { while (pos_x > 0 && value == ALI_LEFT) { stack->push(ALI_PREALIGNER_INS); pos_x--; value = path_map->get_value(pos_x, pos_y); } switch (value) { case ALI_UP: stack->push(ALI_PREALIGNER_DEL); mapper_post(stack, pos_x, pos_y); break; case ALI_DIAG: stack->push(ALI_PREALIGNER_SUB); mapper_post(stack, pos_x, pos_y); break; case ALI_LEFT: stack->push(ALI_PREALIGNER_INS); mapper_post(stack, pos_x, pos_y); break; default: stack->push(ALI_PREALIGNER_SUB | ALI_PREALIGNER_MULTI_FLAG); mapper_post_multi(stack, pos_x, pos_y); } } } #endif /* * make the result map from the path matrix */ void ALI_PREALIGNER:: make_map(void) { unsigned long number_of_sol; ALI_TSTACK < unsigned char >*stack; stack = new ALI_TSTACK < unsigned char >(end_x - start_x + end_y - start_y + 3); if (stack == 0) ali_fatal_error("Out of memory"); number_of_sol = number_of_solutions(); printf("%lu solutions generated\n", number_of_sol); if (number_of_sol == 0 || number_of_sol > result_mask_counter) { ali_message("Starting random mapping"); do { mapper_random(stack, end_x - start_x, end_y - start_y); } while (result_mask_counter > 0); } else { ali_message("Starting systematic mapping"); mapper(stack, end_x - start_x, end_y - start_y); } delete stack; ali_message("Mapping finished"); } #if 0 void ALI_PREALIGNER:: make_quick_map(void) { ALI_TSTACK < unsigned char >*stack; ali_message("Starting quick mapping"); stack = new ALI_TSTACK < unsigned char >(end_x - start_x + end_y - start_y + 3); if (stack == 0) ali_fatal_error("Out of memory"); quick_mapper(stack, end_x - start_x, end_y - start_y); delete stack; ali_message("Quick mapping finished"); } #endif /* * generate an approximation of a complete solution */ void ALI_PREALIGNER:: generate_approximation(ALI_SUB_SOLUTION * work_sol) { ALI_MAP *map; ALI_SEQUENCE *seq; char *ins_marker; float binding_costs; map = work_sol->make_one_map(); if (map == 0) ali_fatal_error("Can't make one map", "ALI_PREALIGNER::generate_approximation()"); seq = map->sequence_without_inserts(profile->sequence()); binding_costs = profile->w_binding(map->first_base(), seq); delete seq; ins_marker = map->insert_marker(); result_approx.insert(map, ins_marker, binding_costs); // delete ins_marker; @@@ // delete map; @@@ } /* * combine subsolutions for an approximation */ void ALI_PREALIGNER:: mapper_approximation(unsigned long area_no, ALI_TARRAY < ALI_TLIST < ALI_MAP * >*>*map_lists, ALI_SUB_SOLUTION * work_sol) { ALI_TLIST < ALI_MAP * >*map_list; ALI_MAP *map; /* * stop mapping at last area */ if (area_no > map_lists->size()) return; if (area_no == map_lists->size()) { generate_approximation(work_sol); return; } /* * map area number 'area_no' */ map_list = map_lists->get(area_no); if (map_list->is_empty()) ali_fatal_error("Found empty list", "ALI_PREALIGNER::mapper_approximation()"); /* * combine all possibilities */ map = map_list->first(); do { if (!work_sol->insert(map)) ali_fatal_error("Can't insert map", "ALI_PREALIGNER::mapper_approximation()"); mapper_approximation(area_no + 1, map_lists, work_sol); if (!work_sol->delete_map(map)) ali_fatal_error("Can't delete map", "ALI_PREALIGNER::mapper_approximation()"); if (map_list->is_next()) map = map_list->next(); else map = 0; } while (map != 0); } /* * Make an approximation by aligning the undefined sections */ void ALI_PREALIGNER:: make_approximation(ALI_PREALIGNER_CONTEXT * context) { ALI_SUB_SOLUTION *work_solution; ALI_ALIGNER_CONTEXT aligner_context; ALI_TARRAY < ALI_TLIST < ALI_MAP * >*>*map_lists; ALI_ALIGNER *aligner; unsigned long area_number; unsigned long start_seq, end_seq, start_ref, end_ref; ali_message("Align free areas"); work_solution = new ALI_SUB_SOLUTION(sub_solution); aligner_context.max_number_of_maps = context->max_number_of_maps_aligner; area_number = sub_solution->number_of_free_areas(); printf("number of areas = %ld (Maximal %ld solutions)\n", area_number, aligner_context.max_number_of_maps); map_lists = new ALI_TARRAY < ALI_TLIST < ALI_MAP * >*>(area_number); /* * generate Solutions for all free areas */ area_number = 0; while (sub_solution->free_area(&start_seq, &end_seq, &start_ref, &end_ref, area_number)) { printf("aligning area %ld (%ld,%ld) - (%ld,%ld)\n", area_number, start_seq, end_seq, start_ref, end_ref); aligner = new ALI_ALIGNER(&aligner_context, profile, start_seq, end_seq, start_ref, end_ref); map_lists->set(area_number, aligner->solutions()); printf("%d solutions generated\n", map_lists->get(area_number)->cardinality()); delete aligner; area_number++; } /* * combine and evaluate the solutions */ mapper_approximation(0, map_lists, work_solution); delete work_solution; // delete map_lists; // @@@ ali_message("Free areas aligned"); } /* * approximate the number of solutions in the pathmap */ unsigned long ALI_PREALIGNER:: number_of_solutions(void) { #define INFINIT 1000000 #define ADD(a,b) if (a>=INFINIT || b>=INFINIT) {a = INFINIT;} else {a += b;} unsigned long pos_x, pos_y, col_length; unsigned long number; unsigned char value; unsigned long *column1, *column2, *elem_akt_col, *elem_left_col; col_length = end_y - start_y + 1; column1 = (unsigned long *) CALLOC((unsigned int) col_length, sizeof(unsigned long)); column2 = (unsigned long *) CALLOC((unsigned int) col_length, sizeof(unsigned long)); if (column1 == 0 || column2 == 0) ali_fatal_error("Out of memory"); ali_message("Start: Checking number of solutions"); if (end_x - (start_x & 0x01)) { elem_akt_col = column1 + col_length - 1; elem_left_col = column2 + col_length - 1; } else { elem_akt_col = column2 + col_length - 1; elem_left_col = column1 + col_length - 1; } number = 0; *elem_akt_col = 1; for (pos_x = end_x - start_x; pos_x > 0;) { *(elem_left_col) = 0; for (pos_y = end_y - start_y; pos_y > 0; pos_y--) { *(elem_left_col - 1) = 0; value = path_map->get_value(pos_x, pos_y); if (value & ALI_UP) { /* *(elem_akt_col - 1) += *elem_akt_col; */ ADD(*(elem_akt_col - 1), *elem_akt_col); } if (value & ALI_DIAG) { /* *(elem_left_col - 1) += *elem_akt_col; */ ADD(*(elem_left_col - 1), *elem_akt_col); } if (value & ALI_LEFT) { /* *(elem_left_col) += *elem_akt_col; */ ADD(*(elem_left_col), *elem_akt_col); } elem_akt_col--; elem_left_col--; } value = path_map->get_value(pos_x, 0); if (value & ALI_UP) { /* number += *elem_akt_col; */ ADD(number, *elem_akt_col); } if (value & ALI_DIAG) { /* number += *elem_akt_col; */ ADD(number, *elem_akt_col); } if (value & ALI_LEFT) { /* *(elem_left_col) += *elem_akt_col; */ ADD(*(elem_left_col), *elem_akt_col); } pos_x--; /* * toggle the columns */ if (pos_x & 0x01) { elem_akt_col = column1 + col_length - 1; elem_left_col = column2 + col_length - 1; } else { elem_akt_col = column2 + col_length - 1; elem_left_col = column1 + col_length - 1; } } for (pos_y = end_y - start_y; pos_y > 0; pos_y--) { value = path_map->get_value(0, pos_y); if (value & ALI_UP) { /* *(elem_akt_col - 1) += *elem_akt_col; */ ADD(*(elem_akt_col - 1), *elem_akt_col); } if (value & ALI_DIAG) { /* number += *elem_akt_col; */ ADD(number, *elem_akt_col); } if (value & ALI_LEFT) { /* number += *elem_akt_col; */ ADD(number, *elem_akt_col); } elem_akt_col--; } /* number += *elem_akt_col; */ ADD(number, *elem_akt_col); ali_message("End: Checking number of solutions"); free((char *) column1); free((char *) column2); return number; } /***************************************************************************** * * class ALI_PREALIGNER (public) * *****************************************************************************/ ALI_PREALIGNER::ALI_PREALIGNER(ALI_PREALIGNER_CONTEXT * context, ALI_PROFILE * prof, unsigned long sx, unsigned long ex, unsigned long sy, unsigned long ey) { profile = prof; start_x = sx; end_x = ex; start_y = sy; end_y = ey; result_mask_counter = context->max_number_of_maps; ali_message("Prealigning"); path_map = new ALI_PATHMAP(end_x - start_x + 1, end_y - start_y + 1); calculate_matrix(); make_map(); result_mask.delete_expensive(context, profile); delete path_map; generate_solution(result_mask.map); make_approximation(context); ali_message("Prealigning finished"); } ./arbsrc_9167/NALIGNER/ali_prealigner.hxx0000644012664100000130000002254311440742777020067 0ustar arb_buildcoders #ifndef _ALI_PREALIGNER_INC_ #define _ALI_PREALIGNER_INC_ #include "ali_profile.hxx" #include "ali_pathmap.hxx" #include "ali_tstack.hxx" #include "ali_solution.hxx" #define ALI_PREALIGNER_INS 1 #define ALI_PREALIGNER_SUB 2 #define ALI_PREALIGNER_DEL 3 #define ALI_PREALIGNER_MULTI_FLAG 4 struct ALI_PREALIGNER_CONTEXT { long max_number_of_maps; long max_number_of_maps_aligner; int intervall_border; int intervall_center; float max_cost_of_sub_percent; float max_cost_of_helix; unsigned long error_count; }; /* * Structure for a cell in the (simple) distance matrix */ struct ali_prealigner_cell { float d; ali_prealigner_cell(void) { d = 0.0; } }; /* * Structure for a column in the (simple) distance matrix */ struct ali_prealigner_column { unsigned long column_length; //ali_prealigner_cell (*cells)[]; ali_prealigner_cell **cells; ali_prealigner_column(unsigned long length) { column_length = length; //cells = (ali_prealigner_cell (*) [0]) calloc((unsigned int) column_length, sizeof(ali_prealigner_cell)); //cells = (ali_prealigner_cell (*) [1]) calloc((unsigned int) column_length, sizeof(ali_prealigner_cell)); cells = (ali_prealigner_cell **) calloc((unsigned int) column_length, sizeof(ali_prealigner_cell)); if (cells == 0) ali_fatal_error("Out of memory"); } ~ali_prealigner_column(void) { if (cells) free((char *) cells); } }; /* * Structure for the intersection of maps */ struct ali_prealigner_mask { ALI_MAP *map; float cost_of_binding; unsigned long calls, joins, last_new, last_joins; ali_prealigner_mask(void) { last_new = last_joins = 0; map = 0; calls = joins = 0; } void insert(ALI_MAP *in_map, float costs); void delete_expensive(ALI_PREALIGNER_CONTEXT *context,ALI_PROFILE *profile); void clear(void) { last_new = last_joins = 0; delete map; calls = joins = 0; } }; /* * Structure for a approximation of a map */ struct ali_prealigner_approx_element { ALI_MAP *map; char *ins_marker; ali_prealigner_approx_element(ALI_MAP *m = 0, char *im = 0) { map = m; ins_marker = im; } ~ali_prealigner_approx_element(void) { /* if (map) delete map; if (ins_marker) free((char *) ins_marker); */ } void print(void) { printf("map = %p, ins_marker = %p\n",map,ins_marker); map->print(); printf("<%20s>\n",ins_marker); } }; /* * Structure for a list of approximated maps */ struct ali_prealigner_approximation { ALI_TLIST *approx_list; float cost_of_binding; ali_prealigner_approximation(void) { cost_of_binding = 0.0; approx_list = new ALI_TLIST; } ~ali_prealigner_approximation(void) { if (approx_list) { clear(); delete approx_list; } } /* * Insert a new approximation (dependence of the costs) */ void insert(ALI_MAP *in_map, char *in_insert_marker, float costs) { ali_prealigner_approx_element *approx_elem; if (approx_list == 0) approx_list = new ALI_TLIST; if (costs < cost_of_binding || approx_list->is_empty()) { cost_of_binding = costs; clear(); } if (costs == cost_of_binding) { if (approx_list->cardinality() < 20) { approx_elem = new ali_prealigner_approx_element(in_map, in_insert_marker); approx_list->append_end(approx_elem); } else { delete in_map; delete in_insert_marker; } } else { delete in_map; delete in_insert_marker; } } ALI_TLIST *list(void) { ALI_TLIST *ret_list; ret_list = approx_list; approx_list = 0; return ret_list; } void clear(void) { if (approx_list) { if (!approx_list->is_empty()) { delete approx_list->first(); while (approx_list->is_next()) delete approx_list->next(); approx_list->make_empty(); } } } void print(void) { ali_prealigner_approx_element *approx_elem; printf("\nList of Approximations\n"); printf("cost_of_binding = %f\n",cost_of_binding); if (approx_list) { if (!approx_list->is_empty()) { approx_elem = approx_list->first(); approx_elem->print(); while (approx_list->is_next()) { approx_elem = approx_list->next(); approx_elem->print(); } } else { printf("List is empty\n"); } } else { printf("List not existent\n"); } } }; /* * Class of the prealigner */ class ALI_PREALIGNER { ALI_PROFILE *profile; ALI_PATHMAP *path_map; ALI_SUB_SOLUTION *sub_solution; ali_prealigner_mask result_mask; unsigned long result_mask_counter; unsigned long start_x, end_x, start_y, end_y; ali_prealigner_approximation result_approx; float minimum2(float a, float b); float minimum3(float a, float b, float c); void calculate_first_column_first_cell(ali_prealigner_cell *akt_cell); void calculate_first_column_cell(ali_prealigner_cell *up_cell, ali_prealigner_cell *akt_cell, unsigned long pos_y); void calculate_first_column(ali_prealigner_column *akt_column); void calculate_first_cell(ali_prealigner_cell *left_cell, ali_prealigner_cell *akt_cell, unsigned long pos_x); void calculate_cell( ali_prealigner_cell *diag_cell, ali_prealigner_cell *left_cell, ali_prealigner_cell *up_cell, ali_prealigner_cell *akt_cell, unsigned long pos_x, unsigned long pos_y); void calculate_column(ali_prealigner_column *prev_col, ali_prealigner_column *akt_col, unsigned long pos_x); void calculate_last_column_first_cell(ali_prealigner_cell *left_cell, ali_prealigner_cell *akt_cell, unsigned long pos_x); void calculate_last_column_cell( ali_prealigner_cell *diag_cell, ali_prealigner_cell *left_cell, ali_prealigner_cell *up_cell, ali_prealigner_cell *akt_cell, unsigned long pos_x, unsigned long pos_y); void calculate_last_column(ali_prealigner_column *prev_col, ali_prealigner_column *akt_col, unsigned long pos_x); void calculate_matrix(void); int find_multiple_path(unsigned long start_x, unsigned long start_y, unsigned long *end_x, unsigned long *end_y); void generate_solution(ALI_MAP *map); void generate_result_mask(ALI_TSTACK *stack); void mapper_pre(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void mapper_post(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void mapper_post_multi(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void mapper_random(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void mapper(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void quick_mapper(ALI_TSTACK *stack, unsigned long pos_x, unsigned long pos_y); void make_map(void); void make_quick_map(void); void generate_approximation(ALI_SUB_SOLUTION *work_sol); void mapper_approximation(unsigned long area_number, ALI_TARRAY *> *map_lists, ALI_SUB_SOLUTION *work_sol); void make_approximation(ALI_PREALIGNER_CONTEXT *context); unsigned long number_of_solutions(void); public: ALI_PREALIGNER(ALI_PREALIGNER_CONTEXT *context, ALI_PROFILE *profile, unsigned long start_x, unsigned long end_x, unsigned long start_y, unsigned long end_y); ~ALI_PREALIGNER(void) { if (sub_solution) delete sub_solution; } ALI_SEQUENCE *sequence(void) { return result_mask.map->sequence(profile->sequence()); } ALI_SEQUENCE *sequence_without_inserts(void) { return result_mask.map->sequence_without_inserts(profile->sequence()); } ALI_SUB_SOLUTION *solution(void) { ALI_SUB_SOLUTION *ret_sol = sub_solution; sub_solution = 0; return ret_sol; } ALI_TLIST *approximation(void) { return result_approx.list(); } }; #endif ./arbsrc_9167/NALIGNER/ali_preali.hxx0000644012664100000130000000421211440742777017204 0ustar arb_buildcoders#include "ali_profile.hxx" class ALI_PREALI { private: long (*helix)[]; char (*helix_border)[]; unsigned long helix_len; ALI_PROFILE prof; char normalize_char(char in); long normalize_sequence(char *gen_seq, char **norm_seq); void print_table(char *norm_seq, char *path_matrix, long line, long col); int map_path(char *path_matrix, long pcol_len, long seq_map[], long col, long line); int prealigner(char *norm_seq, unsigned long norm_seq_len, long **seq_map); int get_sequence(char *norm_seq, unsigned long norm_seq_len, long *seq_map, char **prealigned_seq, char **error_seq, float cost_low, float cost_middle, float cost_high); int check_helix(char prealigned_seq[], char error_seq[], unsigned long seq_len, double (*bind_matrix) [5][5]); int find_next_helix(char h1[], long h_len, int start_pos, int *helix_nr, int *start, int *end); int find_comp_helix(char h1[], long h_len, int start_pos, int helix_nr, int *start, int *end); void delete_comp_helix(char h1[], char h2[], long h_len, int start_pos, int end_pos); int map_helix(char h2[], long h_len, int start1, int end1, int start2, int end2); int make_helix(char *h1, char *h2); int make_intervalls(char *prealigned_seq, char *error_seq, unsigned long seq_len, int intervall_border, int intervall_center, char **intervall_seq); public: int insert_reference(char *gen_seq, double weight = 1.0); int calculate_costs(double *cost_matrix); int prealign_sequence(char *gen_seq, char *helix1, char *helix2, char **prealigned_seq, char **error_seq, char **intervall_seq, float cost_low, float cost_middle, float cost_high, double *bind_matrix, int intervall_border, int intervall_center); int get_reference(char **reference); int get_helix_border(char **border); }; ./arbsrc_9167/NALIGNER/ali_profile.cxx0000644012664100000130000005634011440742777017374 0ustar arb_buildcoders #include // #include #include #include "ali_misc.hxx" #include "ali_profile.hxx" #include "ali_solution.hxx" #include GB_INLINE int ALI_PROFILE::is_binding_marker(char c) { return (c == '~' || c == 'x'); } /* * find the family in the pt server */ ALI_TLIST *ALI_PROFILE::find_family(ALI_SEQUENCE *Sequence, ALI_PROFILE_CONTEXT *context) { char message_buffer[100]; ALI_PT &pt = (ALI_PT &) *(context->pt); ALI_ARBDB &arbdb = (ALI_ARBDB &) *(context->arbdb); ALI_SEQUENCE *seq; ali_family_member *family_member; ALI_TLIST *family_list; ALI_TLIST *pt_fam_list; ALI_TLIST *pt_ext_list; ali_pt_member *pt_member; float weight, d; unsigned long number; /* * Initialisation */ family_list = new ALI_TLIST; ali_message("Searching for the family"); pt.find_family(Sequence,context->find_family_mode); ali_message("Family found"); pt_fam_list = pt.get_family_list(); pt_ext_list = pt.get_extension_list(); ali_message("Reading family:"); d = (context->ext_max_weight - 1.0) / (float) pt_fam_list->cardinality(); arbdb.begin_transaction(); /* * calculate the real family members */ number = 0; while (!pt_fam_list->is_empty()) { pt_member = pt_fam_list->first(); seq = arbdb.get_sequence(pt_member->name,context->mark_family_flag); if (seq) { weight = 1 + d * number; sprintf(message_buffer,"%s (weight = %f, matches = %d)", pt_member->name,weight,pt_member->matches); ali_message(message_buffer); family_member = new ali_family_member(seq, (float) pt_member->matches, weight); family_list->append_end(family_member); number++; } else { ali_warning("Sequence not found in Database (Sequence ignored)"); } pt_fam_list->delete_element(); } delete pt_fam_list; ali_message("Reading family extension:"); d = -1.0 * context->ext_max_weight / (float) pt_ext_list->cardinality(); /* * calculate the extension of the family */ number = 0; while (!pt_ext_list->is_empty()) { pt_member = pt_ext_list->first(); seq = arbdb.get_sequence(pt_member->name, context->mark_family_extension_flag); if (seq) { weight = context->ext_max_weight + d * number; sprintf(message_buffer,"%s (weight = %f, matches = %d)", pt_member->name,weight,pt_member->matches); ali_message(message_buffer); family_member = new ali_family_member(seq, (float) pt_member->matches, weight); family_list->append_end(family_member); number++; } else { ali_warning("Sequence not found in Database (Sequence ignored)"); } pt_ext_list->delete_element(); } delete pt_ext_list; arbdb.commit_transaction(); return family_list; } /* * calculate the costs for aligning against a family */ void ALI_PROFILE::calculate_costs(ALI_TLIST *family_list, ALI_PROFILE_CONTEXT *context) { ali_family_member *family_member; float a[7], w[7], w_sum, sm[7][7]; float base_gap_weights[5], w_bg_sum; long members; size_t p; int i; size_t j; unsigned long *l; float *g; unsigned char **seq; long *seq_len; float (*w_Del)[], (*percent)[]; /* * allocate temporary memory */ members = family_list->cardinality(); l = (unsigned long *) CALLOC((unsigned int) members,sizeof(long)); g = (float *) CALLOC((unsigned int) members,sizeof(float)); seq = (unsigned char ** ) CALLOC((unsigned int) members,sizeof(char *)); seq_len = (long *) CALLOC((unsigned int) members,sizeof(long)); if (l == 0 || g == 0 || seq == 0 || seq_len == 0) ali_fatal_error("Out of memory"); /* * initialize arrays */ family_member = family_list->first(); prof_len = family_member->sequence->length(); seq[0] = family_member->sequence->sequence(); seq_len[0] = family_member->sequence->length(); g[0] = family_member->weight; i = 1; sub_costs_maximum = 0.0; while (family_list->is_next()) { family_member = family_list->next(); seq[i] = family_member->sequence->sequence(); seq_len[i] = family_member->sequence->length(); g[i] = family_member->weight; i++; if (prof_len < family_member->sequence->length()) { ali_warning("Family members have different length"); prof_len = family_member->sequence->length(); } } /* * Calculate the substitution cost matrix */ for (i = 0; i < 5; i++) for (j = 0; j < 5; j++) sm[i][j] = context->substitute_matrix[i][j]; /* * Initialize l-array (position of last base) */ for (i = 0; i < members; i++) l[i] = prof_len + 1; /* * allocate memory for costs */ base_weights = (float (**) [4]) CALLOC((unsigned int) prof_len, sizeof(float [4])); //base_weights = (float (*) [1][4]) CALLOC((unsigned int) prof_len, sizeof(float [4])); sub_costs = (float (**) [6]) CALLOC((unsigned int) prof_len, sizeof(float [6])); //sub_costs = (float (*) [1][6]) CALLOC((unsigned int) prof_len, sizeof(float [6])); binding_costs = (float (*) [5][5]) CALLOC((unsigned int) 5, sizeof(float [5])); lmin = (unsigned long *) CALLOC((unsigned int) prof_len, sizeof(unsigned long)); lmax = (unsigned long *) CALLOC((unsigned int) prof_len, sizeof(unsigned long)); gap_costs = (float ***) CALLOC((unsigned int) prof_len, sizeof(float *)); //gap_costs = (float *(*)[1]) CALLOC((unsigned int) prof_len, sizeof(float *)); gap_percents = (float***) CALLOC((unsigned int) prof_len, sizeof(float *)); //gap_percents = (float*(*)[1]) CALLOC((unsigned int) prof_len, sizeof(float *)); if (binding_costs == 0 || sub_costs == 0 || lmin == 0 || lmax == 0 || gap_costs == 0 || gap_percents == 0 || base_weights == 0) { ali_fatal_error("Out of memory"); } /* * Copy the binding costs matrix */ w_bind_maximum = context->binding_matrix[0][0]; for (i = 0; i < 5; i++) for (j = 0; j < 5; j++) { (*binding_costs)[i][j] = context->binding_matrix[i][j]; if ((*binding_costs)[i][j] > w_bind_maximum) w_bind_maximum = (*binding_costs)[i][j]; } /* * calculate the costs for EVERY position */ ali_message("Calculating costs for substitution"); for (p = 0; p < prof_len; p++) { /* * Initialisation */ for (i = 0; i < 7; i++) a[i] = w[i] = sm[5][i] = sm[i][5] = sm[6][i] = sm[i][6] = 0.0; for (i = 0; i < 6; i++) (*sub_costs)[p][i] = 0.0; w_sum = 0.0; w_bg_sum = 0.0; /* * Statistic consensus */ for (i = 0; i < members; i++) { if (p < size_t(seq_len[i])) { a[seq[i][p]]++; w[seq[i][p]] += g[i]; if (ali_is_real_base(seq[i][p])) w_sum += g[i]; if (ali_is_real_base(seq[i][p]) || ali_is_gap(seq[i][p])) w_bg_sum += g[i]; } else { a[ALI_DOT_CODE]++; w[ALI_DOT_CODE] += g[i]; } } /* * Relative weight of bases */ if (w_sum != 0) for (i = 0; i < 4; i++) (*base_weights)[p][i] = w[i] / w_sum; else for (i = 0; i < 4; i++) (*base_weights)[p][i] = 0.25; /* * Relative weight of bases and gaps */ if (w_bg_sum != 0) for (i = 0; i < 5; i++) base_gap_weights[i] = w[i] / w_bg_sum; else for (i = 0; i < 5; i++) base_gap_weights[i] = 0.2; /* * Expandation of substitute matrix (for 'n') */ for (j = 0; j < 5; j++) { for (i = 0; i < 4; i++) { sm[5][j] += (*base_weights)[p][i] * sm[i][j]; sm[j][5] += (*base_weights)[p][i] * sm[j][i]; } } for (i = 0; i < 4; i++) sm[5][5] += (*base_weights)[p][i] * sm[i][i]; /* * Expandation of substitute matrix (for '.') */ for (j = 0; j < 6; j++) for (i = 0; i < 5; i++) { sm[6][j] += base_gap_weights[i] * sm[i][j]; sm[j][6] += base_gap_weights[i] * sm[j][i]; } for (i = 0; i < 5; i++) sm[6][6] += base_gap_weights[i] * sm[i][i]; /* * Substitution costs */ for (i = 0; i < members; i++) { if (p < size_t(seq_len[i])) { for (j = 0; j < 6; j++) { (*sub_costs)[p][j] += g[i] * sm[seq[i][p]][j]; } } else { for (j = 0; j < 6; j++) { (*sub_costs)[p][j] += g[i] * sm[ALI_DOT_CODE][j]; } } } for (j = 0; j < 6; j++) { (*sub_costs)[p][j] /= members; if ((*sub_costs)[p][j] > sub_costs_maximum) sub_costs_maximum = (*sub_costs)[p][j]; } /* * Calculate dynamic deletion costs and percents of real gaps */ lmax[p] = 0; lmin[p] = p; for (i = 0; i < members; i++) if (l[i] < p) { if (lmin[p] > l[i]) lmin[p] = l[i]; if (lmax[p] < l[i]) lmax[p] = l[i]; } if (lmin[p] == p && lmax[p] == 0) { lmin[p] = lmax[p] = p; } w_Del = (float (*) []) CALLOC((unsigned int) (lmax[p]-lmin[p]+2), sizeof(float)); percent = (float (*) []) CALLOC((unsigned int) (lmax[p]-lmin[p]+2), sizeof(float)); if (w_Del == 0 || percent == 0) ali_fatal_error("Out of memory"); (*gap_costs)[p] = (float *) w_Del; (*gap_percents)[p] = (float *) percent; /* * Calculate dynamic deletion costs */ for (j = 0; j <= lmax[p] - lmin[p] + 1; j++) { (*w_Del)[j] = 0; for (i = 0; i < members; i++) { /* * Normal case */ if (p < size_t(seq_len[i]) /* && !ali_is_dot(seq[i][p]) */) { if (l[i] == prof_len + 1 || l[i] >= j + lmin[p]) { (*w_Del)[j] += g[i] * sm[seq[i][p]][4] * context->multi_gap_factor; }else{ (*w_Del)[j] += g[i] * sm[seq[i][p]][4]; } } /* * expand sequence with dots */ else { if (l[i] >= j + lmin[p] && l[i] < prof_len+1) { (*w_Del)[j] += g[i] * sm[ALI_DOT_CODE][4] * context->multi_gap_factor; }else{ (*w_Del)[j] += g[i] * sm[ALI_DOT_CODE][4]; } } } (*w_Del)[j] /= members; } /* * Update the l-array */ for (i = 0; i < members; i++){ if (!ali_is_gap(seq[i][p])) l[i] = p; } /* * Calculate percents of real gaps */ for (j = 0; j <= lmax[p] - lmin[p] + 1; j++) { (*percent)[j] = 0; for (i = 0; i < members; i++) { if (l[i] >= j + lmin[p] && l[i] < prof_len+1) { (*percent)[j] += 1.0; } } (*percent)[j] /= members; } } ali_message("Calculation finished"); free((char *) l); free((char *) g); free((char *) seq); free((char *) seq_len); } /* * find the next helix */ int ALI_PROFILE::find_next_helix(char h[], unsigned long h_len, unsigned long pos, unsigned long *helix_nr, unsigned long *start, unsigned long *end) { unsigned long i; for (i = pos; i < h_len && !isdigit(h[i]); i++) ; if (i >= h_len) return -1; *start = i; sscanf(&h[i],"%ld",helix_nr); for (; i < h_len && isdigit(h[i]); i++) ; for (; i < h_len && !isdigit(h[i]); i++) ; *end = i - 1; return 0; } /* * find the complementary part of a helix */ int ALI_PROFILE::find_comp_helix(char h[], unsigned long h_len, unsigned long pos, unsigned long helix_nr, unsigned long *start, unsigned long *end) { unsigned long nr, i; i = pos; do { for (; i < h_len && !isdigit(h[i]); i++) ; if (i >= h_len) return -1; *start = i; sscanf(&h[i],"%ld",&nr); for (; i < h_len && isdigit(h[i]); i++) ; } while (helix_nr != nr); for (; i < h_len && !isdigit(h[i]); i++) ; *end = i - 1; return 0; } void ALI_PROFILE::delete_comp_helix(char h1[], char h2[], unsigned long h_len, unsigned long start, unsigned long end) { unsigned long i; for (i = start; i < h_len && i <= end; i++) { h1[i] = '.'; h2[i] = '.'; } } #if 0 int ALI_PROFILE::map_helix(char h[], unsigned long h_len, unsigned long start1, unsigned long end1, unsigned long start2, unsigned long end2) { unsigned long p1, p2; unsigned long last1, last2; if (end1 >= h_len || end2 >= h_len || start1 > end1 || start2 > end2) ali_fatal_error("Inconsistent parameters","ALI_PROFILE::map_helix()"); p1 = start1; for (p2 = end2; p2 >= start2 && !is_binding_marker(h[p2]); p2--); (*helix_borders)[p1] = ALI_PROFILE_BORDER_LEFT; (*helix_borders)[p2] = ALI_PROFILE_BORDER_RIGHT; last1 = p1; last2 = p2; while (p1 <= end1 && p2 >= start2) { (*helix)[p1] = p2; (*helix)[p2] = p1; last1 = p1; last2 = p2; for (p1++; p1 <= end1 && !is_binding_marker(h[p1]); p1++); for (p2--; p2 >= start2 && !is_binding_marker(h[p2]); p2--); } (*helix_borders)[last1] = ALI_PROFILE_BORDER_RIGHT; (*helix_borders)[last2] = ALI_PROFILE_BORDER_LEFT; if (p1 <= end1 || p2 >= start2) return -1; return 0; } #endif /* * initialize the array, representing the helix */ void ALI_PROFILE::initialize_helix(ALI_PROFILE_CONTEXT *context) { const char *error_string; BI_helix bi_helix; unsigned long i; /* * read helix */ if ((error_string = bi_helix.init(context->arbdb->gb_main)) != 0) ali_warning(error_string); helix_len = bi_helix.size(); helix = (long **) CALLOC((unsigned int) helix_len, sizeof(long)); helix_borders = (char **) CALLOC((unsigned int) helix_len, sizeof(long)); if (helix == 0 || helix_borders == 0) ali_fatal_error("Out of memory"); /* * convert helix for internal use */ for (i = 0; i < helix_len; i++) if (bi_helix.pairtype(i) == HELIX_PAIR) (*helix)[i] = bi_helix.opposite_position(i); else (*helix)[i] = -1; } ALI_PROFILE::ALI_PROFILE(ALI_SEQUENCE *seq, ALI_PROFILE_CONTEXT *context) { char message_buffer[100]; ali_family_member *family_member; ALI_TLIST *family_list; norm_sequence = new ALI_NORM_SEQUENCE(seq); multi_gap_factor = context->multi_gap_factor; initialize_helix(context); family_list = find_family(seq,context); if (family_list->is_empty()) { ali_error("Family not found (maybe incompatible PT and DB Servers)"); } calculate_costs(family_list,context); insert_cost = sub_costs_maximum * context->insert_factor; multi_insert_cost = insert_cost * context->multi_insert_factor; sprintf(message_buffer,"Multi gap factor = %f",multi_gap_factor); ali_message(message_buffer); sprintf(message_buffer,"Maximal substitution costs = %f",sub_costs_maximum); ali_message(message_buffer); sprintf(message_buffer,"Normal insert costs = %f",insert_cost); ali_message(message_buffer); sprintf(message_buffer,"Multiple insert costs = %f",multi_insert_cost); ali_message(message_buffer); /* * Delete the family list */ family_member = family_list->first(); delete family_member->sequence; delete family_member; while (family_list->is_next()) { family_member = family_list->next(); delete family_member->sequence; delete family_member; } delete family_list; } ALI_PROFILE::~ALI_PROFILE(void) { size_t i; if (helix) free((char *) helix); if (helix_borders) free((char *) helix_borders); if (binding_costs) free((char *) binding_costs); if (sub_costs) free((char *) sub_costs); if (gap_costs) { for (i = 0; i < prof_len; i++) if ((*gap_costs)[i]) free((char *) (*gap_costs)[i]); free((char *) gap_costs); } if (gap_percents) { for (i = 0; i < prof_len; i++) if ((*gap_percents)[i]) free((char *) (*gap_percents)[i]); free((char *) gap_percents); } if (lmin) free((char *) lmin); if (lmax) free((char *) lmax); if (norm_sequence) delete norm_sequence; } /* * test whether a position is inside a helix */ int ALI_PROFILE::is_in_helix(unsigned long pos, unsigned long *first, unsigned long *last) { long i; if (pos > helix_len) return 0; switch ((*helix_borders)[pos]) { case ALI_PROFILE_BORDER_LEFT: *first = pos; for (i = (long) pos + 1; i < (long) prof_len; i++) if ((*helix_borders)[i] == ALI_PROFILE_BORDER_RIGHT) { *last = (unsigned long) i; return 1; } ali_warning("Helix borders inconsistent (1)"); return 0; case ALI_PROFILE_BORDER_RIGHT: *last = pos; for (i = (long) pos - 1; i >= 0; i--) if ((*helix_borders)[i] == ALI_PROFILE_BORDER_LEFT) { *first = (unsigned long) i; return 1; } ali_warning("Helix borders inconsistent (2)"); return 0; default: for (i = (long) pos - 1; i >= 0; i--) switch ((*helix_borders)[i]) { case ALI_PROFILE_BORDER_RIGHT: return 0; case ALI_PROFILE_BORDER_LEFT: *first = (unsigned long) i; for (i = (long) pos + 1; i < (long) prof_len; i++) switch ((*helix_borders)[i]) { case ALI_PROFILE_BORDER_LEFT: ali_warning("Helix borders inconsistent (3)"); printf("pos = %ld\n",pos); return 0; case ALI_PROFILE_BORDER_RIGHT: *last = (unsigned long) i; return 1; } } } return 0; } /* * test, whether a position is outside a helix */ int ALI_PROFILE::is_outside_helix(unsigned long pos, unsigned long *first, unsigned long *last) { long i; switch ((*helix_borders)[pos]) { case ALI_PROFILE_BORDER_LEFT: return 0; case ALI_PROFILE_BORDER_RIGHT: return 0; default: for (i = (long) pos - 1; i >= 0; i--) switch ((*helix_borders)[i]) { case ALI_PROFILE_BORDER_LEFT: return 0; case ALI_PROFILE_BORDER_RIGHT: *first = (unsigned long) i + 1; for (i = (long) pos + 1; i < (long) prof_len; i++) switch ((*helix_borders)[i]) { case ALI_PROFILE_BORDER_LEFT: *last = (unsigned long) i - 1; return 1; case ALI_PROFILE_BORDER_RIGHT: ali_warning("Helix borders inconsistent [1]"); return 0; } *last = prof_len - 1; return 1; } *first = 0; for (i = (long) pos + 1; i < (long) prof_len; i++) switch ((*helix_borders)[i]) { case ALI_PROFILE_BORDER_LEFT: *last = (unsigned long) i - 1; return 1; case ALI_PROFILE_BORDER_RIGHT: ali_warning("Helix borders inconsistent [2]"); return 0; } *last = prof_len - 1; return 1; } } /* * generate a 'consensus sequence' */ char *ALI_PROFILE::cheapest_sequence(void) { char *seq; size_t p; int i, min_i; float min; seq = (char *) CALLOC((unsigned int) prof_len + 1, sizeof(char)); if (seq == 0) ali_fatal_error("Out of memory"); for (p = 0; p < prof_len; p++) { min = (*sub_costs)[p][0]; min_i = 0; for (i = 1; i < 5; i++) { if (min > (*sub_costs)[p][i]) { min = (*sub_costs)[p][i]; min_i = i; } else { if (min == (*sub_costs)[p][i]) min_i = -1; } } if (min_i >= 0) seq[p] = ali_number_to_base(min_i); else { if (min > 0) seq[p] = '*'; else seq[p] = '.'; } } seq[prof_len] = '\0'; return seq; } /* * calculate the costs of a binding */ float ALI_PROFILE::w_binding(unsigned long first_seq_pos, ALI_SEQUENCE *seq) { unsigned long pos_1_seq, pos_2_seq, last_seq_pos; long pos_compl; float costs = 0; last_seq_pos = first_seq_pos + seq->length() - 1; for (pos_1_seq = first_seq_pos; pos_1_seq <= last_seq_pos; pos_1_seq++) { pos_compl = (*helix)[pos_1_seq]; if (pos_compl >= 0) { pos_2_seq = (unsigned long) pos_compl; if (pos_2_seq > pos_1_seq && pos_2_seq <= last_seq_pos) costs += w_bind(pos_1_seq, seq->base(pos_1_seq), pos_2_seq, seq->base(pos_2_seq)); else if (pos_2_seq < first_seq_pos || pos_2_seq > last_seq_pos) costs += w_bind_maximum; } } return costs; } ./arbsrc_9167/NALIGNER/ali_profile.hxx0000644012664100000130000002411211440742777017371 0ustar arb_buildcoders#ifndef _ALI_PROFILE_INC_ #define _ALI_PROFILE_INC_ #include "ali_sequence.hxx" #include "ali_arbdb.hxx" #include "ali_pt.hxx" #include "ali_tlist.hxx" #include "ali_misc.hxx" #define ALI_PROFILE_BORDER_LEFT '[' #define ALI_PROFILE_BORDER_RIGHT ']' typedef void ALI_MAP_; /* make modul independent */ typedef struct { ALI_ARBDB *arbdb; ALI_PT *pt; int find_family_mode; int exclusive_flag; int mark_family_flag; int mark_family_extension_flag; int min_family_size; int max_family_size; float min_weight; float ext_max_weight; float multi_gap_factor; float insert_factor; float multi_insert_factor; double substitute_matrix[5][5]; /* a c g u - */ double binding_matrix[5][5]; /* a c g u - */ } ALI_PROFILE_CONTEXT; /* * Class for a family member */ class ali_family_member { public: ALI_SEQUENCE *sequence; float matches; float weight; ali_family_member(ALI_SEQUENCE *seq, float m, float w = 0.0) { sequence = seq; matches = m; weight = w; } }; /* * Class for the profiling */ class ALI_PROFILE { ALI_NORM_SEQUENCE *norm_sequence; unsigned long prof_len; long **helix; /* base to base connection */ char **helix_borders; /* borders of the helix '[' and ']' */ unsigned long helix_len; float (**base_weights)[4]; /* relative weight of base i */ float (**sub_costs)[6]; /* costs to substitute with base i */ float sub_costs_maximum; float insert_cost; float multi_insert_cost; float multi_gap_factor; float (*binding_costs)[5][5]; /* Matrix for binding costs a c g u - */ float w_bind_maximum; unsigned long *lmin, *lmax; float ***gap_costs; float ***gap_percents; int is_binding_marker(char c); ALI_TLIST *find_family(ALI_SEQUENCE *sequence, ALI_PROFILE_CONTEXT *context); void calculate_costs(ALI_TLIST *family_list, ALI_PROFILE_CONTEXT *context); int find_next_helix(char h[], unsigned long h_len, unsigned long pos, unsigned long *helix_nr, unsigned long *start, unsigned long *end); int find_comp_helix(char h[], unsigned long h_len, unsigned long pos, unsigned long helix_nr, unsigned long *start, unsigned long *end); void delete_comp_helix(char h1[], char h2[], unsigned long h_len, unsigned long start, unsigned long end); int map_helix(char h[], unsigned long h_len, unsigned long start1, unsigned long end1, unsigned long start2, unsigned long end2); void initialize_helix(ALI_PROFILE_CONTEXT *context); public: ALI_PROFILE(ALI_SEQUENCE *sequence, ALI_PROFILE_CONTEXT *context); ~ALI_PROFILE(void); void print(int start = -1, int end = -1) { int i; size_t j; if (start < 0 || (unsigned long)(start) > prof_len - 1) start = 0; if ((unsigned long)(end) > prof_len - 1 || end < 0) end = (int)prof_len - 1; if (start > end) { i = start; start = end; end = i; } printf("\nProfile from %d to %d\n",start,end); printf("Substitutions kosten:\n"); for (i = start; i <= end; i++) { printf("%2d: ",i); for (j = 0; j < 6; j++) printf("%4.2f ",(*sub_costs)[i][j]); printf("\n"); } printf("\nGap Bereiche:\n"); for (i = start; i <= end; i++) { printf("%2d: %3ld %3ld\n",i,lmin[i],lmax[i]); printf(" : "); for (j = 0; j <= lmax[i] - lmin[i] + 1; j++) printf("%4.2f ",(*gap_percents)[i][j]); printf("\n : "); for (j = 0; j <= lmax[i] - lmin[i] + 1; j++) printf("%4.2f ",(*gap_costs)[i][j]); printf("\n"); } } int is_in_helix(unsigned long pos, unsigned long *first, unsigned long *last); int is_outside_helix(unsigned long pos, unsigned long *first, unsigned long *last); int complement_position(unsigned long pos) { if (pos >= helix_len) return -1; else return (*helix)[pos]; } int is_in_helix(unsigned long pos) { long l; if ((*helix_borders)[pos] == ALI_PROFILE_BORDER_LEFT || (*helix_borders)[pos] == ALI_PROFILE_BORDER_RIGHT) return 1; for (l = (long) pos - 1; l >= 0; l--) switch ((*helix_borders)[l]) { case ALI_PROFILE_BORDER_LEFT: return 1; case ALI_PROFILE_BORDER_RIGHT: return 0; } for (l = (long) pos + 1; l < (long) prof_len; l++) switch((*helix_borders)[l]) { case ALI_PROFILE_BORDER_LEFT: return 0; case ALI_PROFILE_BORDER_RIGHT: return 1; } return 0; } int is_internal_last(unsigned long pos) { return norm_sequence->is_begin(pos + 1); } char *cheapest_sequence(void); char *borders_sequence(void) { unsigned long i; char *str, *str_buffer; str = (char *) calloc((unsigned int) prof_len, sizeof(char)); if (str == 0) ali_fatal_error("Out of memory"); str_buffer = str; for (i = 0; i < prof_len; i++) switch ((*helix_borders)[i]) { case ALI_PROFILE_BORDER_LEFT: *str++ = '['; break; case ALI_PROFILE_BORDER_RIGHT: *str++ = ']'; break; default: *str++ = ' '; } return str_buffer; } unsigned long length(void) { return prof_len; } ALI_NORM_SEQUENCE *sequence(void) { return norm_sequence; } unsigned long sequence_length(void) { return norm_sequence->length(); } float base_weight(unsigned long pos, unsigned char c) { if (c > 3) ali_fatal_error("Out of range","ALI_PROFILE::base_weight()"); return (*base_weights)[pos][c]; } float w_sub(unsigned long positiony, unsigned long positionx) { return (*sub_costs)[positiony][norm_sequence->base(positionx)]; } float w_sub_gap(unsigned long positiony) { return (*sub_costs)[positiony][4]; } float w_sub_gap_cheap(unsigned long positiony) { return (*sub_costs)[positiony][4] * multi_gap_factor; } float w_sub_multi_gap_cheap(unsigned long start, unsigned long end) { float costs = 0.0; unsigned long i; for (i = start; i <= end; i++) costs += w_sub_gap(i); return costs * multi_gap_factor; } float w_sub_maximum(void) { return sub_costs_maximum; } float w_del(unsigned long begin, unsigned long end) { if (begin <= lmin[end]) return (*gap_costs)[end][0]; else { if (begin <= lmax[end]) return (*gap_costs)[end][begin - lmin[end]]; else return (*gap_costs)[end][lmax[end] - lmin[end] + 1]; } } float w_del_cheap(unsigned long position) { return (*gap_costs)[position][0]; } float w_del_multi(unsigned long start, unsigned long end) { float costs = 0.0; unsigned long i; for (i = start; i <= end; i++) costs += w_del(start,i); return costs; } float w_del_multi_cheap(unsigned long start, unsigned long end) { float costs = 0.0; unsigned long i; for (i = start; i <= end; i++) costs += w_del_cheap(i); return costs; } float w_del_multi_unweighted(unsigned long start, unsigned long end) { float costs = 0.0; unsigned long i; for (i = start; i <= end; i++) costs += w_del(i,i); return costs; } float w_ins(unsigned long /*positionx*/, unsigned long /*positiony*/) { return insert_cost; } float w_ins_cheap(unsigned long /*positionx*/, unsigned long /*positiony*/) { return multi_insert_cost; } float w_ins_multi_unweighted(unsigned long startx, unsigned long endx) { return (endx - startx + 1) * insert_cost; } float w_ins_multi(unsigned long startx, unsigned long endx) { return insert_cost + (endx - startx)*multi_insert_cost; } float w_ins_multi_cheap(unsigned long startx, unsigned long endx) { return (endx - startx + 1)*multi_insert_cost; } float gap_percent(unsigned long begin, unsigned long end) { if (begin <= lmin[end]) return (*gap_percents)[end][0]; else { if (begin <= lmax[end]) return (*gap_percents)[end][begin - lmin[end]]; else return (*gap_percents)[end][lmax[end] - lmin[end] + 1]; } } float w_bind(unsigned long pos_1, unsigned char base_1, unsigned long pos_2, unsigned char base_2) { int i, j; float cost_in, cost = 0; if (ali_is_real_base_or_gap(base_1)) { if (ali_is_real_base_or_gap(base_2)) { return (*binding_costs)[base_1][base_2]; } for (i = 0; i < 4; i++) cost += (*base_weights)[pos_2][i] * (*binding_costs)[base_1][i]; return cost; } if (ali_is_real_base_or_gap(base_2)) { for (i = 0; i < 4; i++) cost += (*base_weights)[pos_1][i] * (*binding_costs)[i][base_2]; return cost; } for (i = 0; i < 4; i++) { for (j = 0, cost_in = 0; j < 4; j++) cost_in += (*base_weights)[pos_2][j] * (*binding_costs)[i][j]; cost += (*base_weights)[pos_1][i] * cost_in; } return cost; } float w_binding(unsigned long first_position_of_sequence, ALI_SEQUENCE *sequence); }; #endif ./arbsrc_9167/NALIGNER/ali_pt_client.hxx0000644012664100000130000000056311440742777017716 0ustar arb_buildcoders class ALI_PT { private: aisc_com *link; T_PT_LOCS locs; T_PT_MAIN com; T_PT_FAMILYLIST f_list; init_communication(); public: int open(char *servername,GBDATA *gb_main); int close(void); int find_family(char *string, int find_type = 0); int first_family(char **seq_name, int *matches); int next_family(char **seq_name, int *matches); }; ./arbsrc_9167/NALIGNER/ali_pt.cxx0000644012664100000130000002363211440742777016355 0ustar arb_buildcoders// ********************* INCLUDE #include #include #include #include #include "ali_misc.hxx" #include "ali_pt.hxx" /* * Initialize the communication with the pt server */ int ALI_PT::init_communication(void) { const char *user = GB_getenvUSER(); /*** create and init local com structure ***/ if( aisc_create(link, PT_MAIN, com, MAIN_LOCS, PT_LOCS, &locs, LOCS_USER, user, NULL)){ return 1; } return 0; } char *ALI_PT::get_family_member(char *specifiedfamily,unsigned long number) { char *ptr = specifiedfamily; char *end; char *buffer, *dest; while (number > 0 && *ptr != '\0' && *ptr != ';') { while (*ptr != '\0' && *ptr != ';' && *ptr != ',') ptr++; if (*ptr == ',') ptr++; number--; } if (*ptr != '\0' && *ptr != ';') { end = ptr; while (*end != '\0' && *end != ',' && *end != ';') end++; buffer = dest = (char *) CALLOC((unsigned int) (end - ptr) + 1, sizeof(char)); if (buffer == 0) ali_fatal_error("Out of memory"); while (ptr != end) *dest++ = *ptr++; *dest = '\0'; return buffer; } return 0; } char *ALI_PT::get_extension_member(char *specifiedfamily, unsigned long number) { char *ptr = specifiedfamily; char *end; char *buffer, *dest; while (*ptr != '\0' && *ptr != ';') ptr++; if (*ptr == ';') ptr++; while (number > 0 && *ptr != '\0') { while (*ptr != '\0' && *ptr != ',') ptr++; if (*ptr == ',') ptr++; number--; } if (*ptr != '\0') { end = ptr; while (*end != '\0' && *end != ',') end++; buffer = dest = (char *) CALLOC((unsigned int) (end - ptr) + 1,sizeof(char)); if (buffer == 0) ali_fatal_error("Out of memory"); while (ptr != end) *dest++ = *ptr++; *dest = '\0'; return buffer; } return 0; } int ALI_PT::open(char *servername,GBDATA *gb_main) { if (arb_look_and_start_server(AISC_MAGIC_NUMBER,servername,gb_main)){ ali_message ("Cannot contact Probe bank server"); return -1; } const char *socketid = GBS_read_arb_tcp(servername); if (!socketid) { ali_message(GB_await_error()); return -1; } link = (aisc_com *)aisc_open(socketid,&com,AISC_MAGIC_NUMBER); if (!link) { ali_message ("Cannot contact Probe bank server "); return -1; } if (init_communication()) { ali_message ("Cannot contact Probe bank server (2)"); return -1; } return 0; } void ALI_PT::close(void) { if (link) aisc_close(link); link = 0; } /***************************************************************************** * * Public funktions * *****************************************************************************/ ALI_PT::ALI_PT(ALI_PT_CONTEXT *context) { link = 0; fam_list_max = context->fam_list_max; ext_list_max = context->ext_list_max; percent_min = context->percent_min; matches_min = context->matches_min; family_list = 0; extension_list = 0; if (context->use_specified_family != 0) { mode = SpecifiedMode; specified_family = strdup(context->use_specified_family); } else { mode = ServerMode; specified_family = 0; ali_message("Connecting to PT server"); if (open(context->servername,context->gb_main) != 0) { ali_fatal_error("Can't connect to PT server"); } ali_message("Connection established"); } } ALI_PT::~ALI_PT(void) { close(); if (family_list != 0 && !family_list->is_empty()) { delete family_list->first(); while (family_list->is_next()) delete family_list->next(); delete family_list; } if (extension_list != 0 && !extension_list->is_empty()) { delete extension_list->first(); while (extension_list->is_next()) delete extension_list->next(); delete extension_list; } } int ALI_PT::find_family(ALI_SEQUENCE *sequence, int find_type) { unsigned long number; int matches, max_matches; char *seq_name; T_PT_FAMILYLIST f_list; ali_pt_member *pt_member; char *species; bytestring bs; bs.data = sequence->string(); bs.size = strlen(bs.data)+1; family_list = new ALI_TLIST; extension_list = new ALI_TLIST; if (family_list == 0 || extension_list == 0) ali_fatal_error("Out of memory"); if (mode == ServerMode) { /* * Start find_family() at the PT_SERVER * * Here we have to make a loop, until the match count of the * first member is big enought * */ if (aisc_put(link, PT_LOCS, locs, LOCS_FF_FIND_TYPE, find_type, LOCS_FF_FIND_FAMILY, &bs, NULL)) { ali_message ("Communication Error (2)"); return -1; } /* * Read family list */ aisc_get(link, PT_LOCS, locs, LOCS_FF_FAMILY_LIST, &f_list, NULL); if (f_list == 0) ali_error("Family not found in PT Server"); aisc_get(link, PT_FAMILYLIST, f_list, FAMILYLIST_NAME,&seq_name, FAMILYLIST_MATCHES,&matches, FAMILYLIST_NEXT, &f_list, NULL); while (strcmp(seq_name,sequence->name()) == 0) { free(seq_name); if (f_list == 0) ali_error("Family too small in PT Server"); aisc_get(link, PT_FAMILYLIST, f_list, FAMILYLIST_NAME,&seq_name, FAMILYLIST_MATCHES,&matches, FAMILYLIST_NEXT, &f_list, NULL); } /* found the first element */ /* make the family list */ max_matches = matches; number = 0; do { pt_member = new ali_pt_member(seq_name,matches); family_list->append_end(pt_member); number++; do { if (f_list == 0) ali_error("Family too small in PT Server"); aisc_get(link, PT_FAMILYLIST, f_list, FAMILYLIST_NAME,&seq_name, FAMILYLIST_MATCHES,&matches, FAMILYLIST_NEXT, &f_list, NULL); if (strcmp(seq_name,sequence->name()) == 0) free(seq_name); } while (strcmp(seq_name,sequence->name()) == 0); } while (number < fam_list_max && (float) matches / (float) max_matches > percent_min); /* make the extension list */ number = 0; while (number < ext_list_max) { pt_member = new ali_pt_member(seq_name,matches); extension_list->append_end(pt_member); number++; do { if (f_list == 0) ali_error("Family too small in PT Server"); aisc_get(link, PT_FAMILYLIST, f_list, FAMILYLIST_NAME,&seq_name, FAMILYLIST_MATCHES,&matches, FAMILYLIST_NEXT, &f_list, NULL); if (strcmp(seq_name,sequence->name()) == 0) free(seq_name); } while (strcmp(seq_name,sequence->name()) == 0); } } else { number = 0; while ((species = get_family_member(specified_family, number)) != 0) { pt_member = new ali_pt_member(species,matches_min); if (pt_member == 0) ali_fatal_error("Out of memory"); family_list->append_end(pt_member); number++; } if (number == 0) ali_fatal_error("Specified family too small"); number = 0; while ((species = get_extension_member(specified_family, number)) != 0) { pt_member = new ali_pt_member(species, (int) (matches_min * percent_min) - 1); if (pt_member == 0) ali_fatal_error("Out of memory"); extension_list->append_end(pt_member); number++; } } free((char *) bs.data); return 0; } ALI_TLIST *ALI_PT::get_family_list(void) { ALI_TLIST *ret; ret = family_list; family_list = 0; return ret; } ALI_TLIST *ALI_PT::get_extension_list(void) { ALI_TLIST *ret; ret = extension_list; extension_list = 0; return ret; } /* int ALI_PT::first_family_(char **seq_name, int *matches) { if (mode == ServerMode) { aisc_get(link,PT_LOCS, locs,LOCS_FAMILY_LIST, &f_list, NULL); if (f_list == 0) return -1; aisc_get(link, PT_FAMILYLIST, f_list, FAMILYLIST_NAME,seq_name, FAMILYLIST_MATCHES,matches, FAMILYLIST_NEXT, &f_list, NULL); } else { *seq_name = strdup(family_list.first()); *matches = 1000; first_extension_call_flag = 1; } return 0; } int ALI_PT::next_family_(char **seq_name, int *matches) { if (mode == ServerMode) { if (f_list == 0) return -1; aisc_get(link, PT_FAMILYLIST, f_list, FAMILYLIST_NAME,seq_name, FAMILYLIST_MATCHES,matches, FAMILYLIST_NEXT, &f_list, NULL); } else { if (family_list.is_next()) { *seq_name = strdup(family_list.next()); *matches = 1000; first_extension_call_flag = 1; } else { if (extension_list.is_empty()) return -1; if (first_extension_call_flag == 1) { *seq_name = strdup(extension_list.first()); *matches = (int) (1000 * percent_for_family) - 1; first_extension_call_flag = 0; } else { if (extension_list.is_next()) { *seq_name = strdup(extension_list.next()); *matches = (int) (1000 * percent_for_family) - 1; } else { return -1; } } } } return 0; } */ ./arbsrc_9167/NALIGNER/ali_pt.hxx0000644012664100000130000000331411440742777016355 0ustar arb_buildcoders #ifndef _ALI_PT_INC_ #define _ALI_PT_INC_ #include "ali_other_stuff.hxx" #include "ali_tlist.hxx" #include "ali_sequence.hxx" #include typedef enum {ServerMode, SpecifiedMode} ALI_PT_MODE; typedef struct { char *servername; GBDATA *gb_main; int matches_min; float percent_min; unsigned long fam_list_max; unsigned long ext_list_max; char *use_specified_family; } ALI_PT_CONTEXT; /* * class of family members */ class ali_pt_member { public: char *name; int matches; ali_pt_member(char *speciesname, int number_of_matches) { name = speciesname; matches = number_of_matches; } ~ali_pt_member(void) { if (name) free((char *) name); } }; /* * Class for accessing the PT server */ class ALI_PT { private: ALI_PT_MODE mode; char *specified_family; unsigned long fam_list_max; unsigned long ext_list_max; float percent_min; int matches_min; aisc_com *link; T_PT_LOCS locs; T_PT_MAIN com; ALI_TLIST *family_list; ALI_TLIST *extension_list; int init_communication(void); char *get_family_member(char *specified_family, unsigned long number); char *get_extension_member(char *specified_family, unsigned long number); int open(char *servername,GBDATA *gb_main); void close(void); public: ALI_PT(ALI_PT_CONTEXT *context); ~ALI_PT(void); int find_family(ALI_SEQUENCE *sequence, int find_type = 1); ALI_TLIST *get_family_list(); ALI_TLIST *get_extension_list(); int first_family_(char **seq_name, int *matches); int next_family_(char **seq_name, int *matches); }; #endif ./arbsrc_9167/NALIGNER/ali_sec_structure.hxx0000644012664100000130000000213611440742777020625 0ustar arb_buildcoders /***************************************************************************** * * STRUCT: ALI_HELIX * *****************************************************************************/ struct ALI_HELIX { unsigned int number_of_bases; unsigned int start_low, start_high; ALI_HELIX *next_low, *next_high; ALI_HELIX *prev_low, *prev_high; ALI_HELIX(unsigned int number_of_bases, unsigned int start_low, unsigned int start_high); }; /***************************************************************************** * * CLASS: ALI_SEC_STRUCTURE * *****************************************************************************/ class ALI_SEC_STRUCTURE { ALI_HELIX *first_helix; void printer(ALI_HELIX *node); public: ALI_SEC_STRUCTURE(); ALI_SEC_STRUCTURE(unsigned int number_of_bases, unsigned int start_low, unsigned int start_high); ALI_SEC_STRUCTURE(ALI_SEC_STRUCTURE &ref_struct); ~ALI_SEC_STRUCTURE(); ALI_HELIX *copy(ALI_HELIX *ref_node); void print(ALI_SEC_STRUCTURE &sec_struct); int insert_node(ALI_HELIX *node); }; ./arbsrc_9167/NALIGNER/ali_sequence.cxx0000644012664100000130000000760311440742777017542 0ustar arb_buildcoders #include #include // #include #include "ali_misc.hxx" #include "ali_sequence.hxx" /***************************************************************************** * * ALI_SEQUENCE * *****************************************************************************/ int ALI_SEQUENCE::check(void) { unsigned char *seq_buf; unsigned long i; seq_buf = seq; for (i = 0; i < seq_len; i++, seq_buf++) if (*seq_buf > 6) ali_fatal_error("STOP"); return 1; } char *ALI_SEQUENCE::string(void) { char *str, *str_buf; unsigned char *seq_buf; unsigned long i; str = (char *) CALLOC((unsigned int) seq_len + 1,sizeof(char)); str_buf = str; seq_buf = seq; for (i = 0; i < seq_len; i++) { *(str_buf++) = *(seq_buf++); } *str_buf = '\0'; ali_sequence_to_string((unsigned char*) str,seq_len); return str; } /***************************************************************************** * * ALI_NORM_SEQUENCE * *****************************************************************************/ ALI_NORM_SEQUENCE::ALI_NORM_SEQUENCE(char *Name, char *String) { unsigned long counter; unsigned char *s; int dot_flag; char *str; /* * Count only _BASES_ */ for (counter = 0, str = String; *str != '\0'; str++) if (ali_is_base(*str)) counter++; seq_len = counter; seq = (unsigned char*) CALLOC((unsigned int) seq_len,sizeof(unsigned char)); dots = (unsigned char **) CALLOC((unsigned int) (seq_len/8)+1, sizeof(unsigned char)); //dots = (unsigned char (*) [1]) CALLOC((unsigned int) (seq_len/8)+1, sizeof(unsigned char)); seq_name = strdup(Name); if (seq == 0 || dots == 0 || seq_name == 0) { ali_fatal_error("Out of memory"); } dot_flag = 0; (*dots)[0] |= (unsigned char) (1<<7); for (counter = 0, str = String, s = seq; *str != '\0'; str++) { if (ali_is_base(*str)) { *s++ = ali_base_to_number(*str); dot_flag = 0; counter++; } else { if (dot_flag == 0 && ali_is_dot(*str)) { (*dots)[(counter/8)] |= (unsigned char) (1<<(7-(counter%8))); dot_flag = 1; } } } } ALI_NORM_SEQUENCE::ALI_NORM_SEQUENCE(ALI_SEQUENCE *SEQ) { unsigned long counter, pos; unsigned char *s; int dot_flag; unsigned char *str; for (counter = pos = 0, str = SEQ->sequence(); pos < SEQ->length(); pos++, str++) if (ali_is_base(*str)) counter++; seq_len = counter; seq = (unsigned char*) CALLOC((unsigned int) seq_len,sizeof(unsigned char)); dots = (unsigned char **) CALLOC((unsigned int) (seq_len/8)+1, sizeof(unsigned char)); //dots = (unsigned char (*) [1]) CALLOC((unsigned int) (seq_len/8)+1, sizeof(unsigned char)); seq_name = strdup(SEQ->name()); if (seq == 0 || dots == 0 || seq_name == 0) { ali_fatal_error("Out of memory"); } dot_flag = 0; (*dots)[0] |= (unsigned char) (1<<7); for (counter = pos = 0, str = SEQ->sequence(), s = seq; pos < SEQ->length(); str++, pos++) { if (ali_is_base(*str)) { *s++ = *str; dot_flag = 0; counter++; } else { if (dot_flag == 0 && ali_is_dot(*str)) { (*dots)[(counter/8)] |= (unsigned char) (1<<(7-(counter%8))); dot_flag = 1; } } } } char *ALI_NORM_SEQUENCE::string() { char *str, *str_buf; unsigned char *seq_buf; unsigned long i; str = (char *) CALLOC((unsigned int) seq_len + 1,sizeof(char)); if (str == 0) ali_fatal_error("Out of memory"); for (i = seq_len, str_buf = str, seq_buf = seq; i-- > 0;) *str_buf++ = *seq_buf++; *str_buf = '\0'; ali_sequence_to_string((unsigned char*) str,seq_len); return str; } ./arbsrc_9167/NALIGNER/ali_sequence.hxx0000644012664100000130000000403411440742777017542 0ustar arb_buildcoders #ifndef _ALI_SEQUENCE_INC_ #define _ALI_SEQUENCE_INC_ #include // #include #include "ali_misc.hxx" class ALI_SEQUENCE { unsigned char *seq; char *seq_name; unsigned long seq_len; public: ALI_SEQUENCE(char *Name, char *str) { seq = (unsigned char *) str; seq_len = strlen(str); seq_name = strdup(Name); ali_string_to_sequence(str); if (seq_name == 0) ali_fatal_error("Out of memory"); } ALI_SEQUENCE(char *Name, unsigned char *str, unsigned long str_len) { seq = str; seq_len = str_len; seq_name = strdup(Name); } ~ALI_SEQUENCE(void) { if (seq) free((char *) seq); if (seq_name) free((char *) seq_name); } unsigned char *sequence(void) { return seq; } unsigned char base(unsigned long position) { return seq[position]; } int check(void); char *string(void); char *name(void) { return seq_name; } unsigned long length(void) { return seq_len; } }; class ALI_NORM_SEQUENCE { unsigned char *seq; char *seq_name; unsigned char **dots; unsigned long seq_len; public: ALI_NORM_SEQUENCE(char *name, char *str); ALI_NORM_SEQUENCE(ALI_SEQUENCE *sequence); ~ALI_NORM_SEQUENCE(void) { if (seq) free((char *) seq); if (seq_name) free((char *) seq_name); if (dots) free((char *) dots); } unsigned char *sequence(void) { return seq; } unsigned char base(unsigned long position) { return seq[position]; } char *string(void); char *name(void) { return seq_name; } unsigned long length(void) { return seq_len; } int is_begin(unsigned long pos) { if (dots == 0) return 0; else { if (pos > seq_len) return 1; else return (((*dots)[pos/8] & (unsigned char) (1<<(7-(pos%8)))) != 0); } } }; #endif ./arbsrc_9167/NALIGNER/ali_solution.cxx0000644012664100000130000004173111440742777017606 0ustar arb_buildcoders // #include #include #include "ali_misc.hxx" #include "ali_solution.hxx" /***************************************************************************** * * ALI_MAP * *****************************************************************************/ ALI_MAP::ALI_MAP(unsigned long first_seq, unsigned long last_seq, unsigned long first_ref, unsigned long last_ref) { unsigned long l; insert_counter = 0; first_seq_base = first_seq; last_seq_base = last_seq; first_ref_base = first_ref; last_ref_base = last_ref; mapping = (long **) CALLOC((unsigned int) (last_seq_base - first_seq_base + 1),sizeof(long)); //mapping = (long (*) [1]) CALLOC((unsigned int) (last_seq_base - first_seq_base + 1),sizeof(long)); inserted = (unsigned char **) CALLOC((unsigned int) ((last_seq_base - first_seq_base)/8) + 1,sizeof(unsigned char)); //inserted = (unsigned char (*) [1]) CALLOC((unsigned int) ((last_seq_base - first_seq_base)/8) + 1,sizeof(unsigned char)); undefined = (unsigned char **) CALLOC((unsigned int) ((last_seq_base - first_seq_base)/8) + 1,sizeof(unsigned char)); //undefined = (unsigned char (*) [1]) CALLOC((unsigned int) ((last_seq_base - first_seq_base)/8) + 1,sizeof(unsigned char)); if (mapping == 0 || inserted == 0 || undefined == 0) { ali_fatal_error("Out of memory"); } for (l = 0; l < (last_seq_base - first_seq_base)/8 + 1; l++) (*undefined)[l] = 0xff; } ALI_MAP::ALI_MAP(ALI_MAP *map) { unsigned long l; first_seq_base = map->first_seq_base; last_seq_base = map->last_seq_base; first_ref_base = map->first_ref_base; last_ref_base = map->last_ref_base; mapping = (long **) CALLOC((unsigned int) (last_seq_base - first_seq_base + 1), sizeof(long)); //mapping = (long (*) [1]) CALLOC((unsigned int) (last_seq_base - first_seq_base + 1), sizeof(long)); inserted = (unsigned char **) CALLOC((unsigned int) ((last_seq_base - first_seq_base) / 8) + 1,sizeof(unsigned char)); //inserted = (unsigned char (*) [1]) CALLOC((unsigned int) ((last_seq_base - first_seq_base) / 8) + 1,sizeof(unsigned char)); undefined = (unsigned char **) CALLOC((unsigned int) ((last_seq_base - first_seq_base) / 8) + 1,sizeof(unsigned char)); //undefined = (unsigned char (*) [1]) CALLOC((unsigned int) ((last_seq_base - first_seq_base) / 8) + 1,sizeof(unsigned char)); if (mapping == 0 || inserted == 0 || undefined == 0) { ali_fatal_error("Out of memory"); } for (l = 0; l < last_seq_base - first_seq_base + 1; l++) { if (l < (last_seq_base - first_seq_base)/8 + 1) { (*inserted)[l] = (*map->inserted)[l]; (*undefined)[l] = (*map->undefined)[l]; } (*mapping)[l] = (*map->mapping)[l]; } } int ALI_MAP::is_konsistent(void) { unsigned long i; for (i = 1; i <= last_seq_base - first_seq_base; i++) if ((*mapping)[i-1] >= (*mapping)[i]) return 0; return 1; } ALI_SEQUENCE *ALI_MAP::sequence(ALI_NORM_SEQUENCE *ref_seq) { int ins_counter; int begin_flag = 0, undefined_flag; unsigned long map_pos, seq_pos; unsigned char *seq, *seq_buffer; seq_buffer = (unsigned char *) CALLOC((unsigned int) (last_ref_base - first_ref_base + insert_counter + 1), sizeof(unsigned char)); if (seq_buffer == 0) ali_fatal_error("Out of memory"); seq = seq_buffer; seq_pos = 0; undefined_flag = 0; ins_counter = 0; for (map_pos = 0; map_pos <= last_seq_base - first_seq_base; map_pos++) { if (!undefined_flag) begin_flag = ref_seq->is_begin(first_seq_base + map_pos); if (!(((*undefined)[map_pos/8]>>(7-(map_pos%8))) & 0x01)) { for (;seq_pos < (unsigned long)((*mapping)[map_pos] + ins_counter); seq_pos++) { if (begin_flag) *seq++ = ALI_DOT_CODE; else *seq++ = ALI_GAP_CODE; } *seq++ = ref_seq->base(first_seq_base + map_pos); seq_pos++; undefined_flag = 0; } else { undefined_flag = 1; } if ((*inserted)[map_pos/8]>>(7-(map_pos%8)) & 0x01) ins_counter++; } begin_flag = ref_seq->is_begin(first_seq_base + map_pos); for (;seq_pos <= last_ref_base - first_ref_base + ins_counter;seq_pos++) { if (begin_flag) *seq++ = ALI_DOT_CODE; else *seq++ = ALI_GAP_CODE; } return new ALI_SEQUENCE(ref_seq->name(),seq_buffer, last_ref_base - first_ref_base + insert_counter + 1); } ALI_SEQUENCE *ALI_MAP::sequence_without_inserts(ALI_NORM_SEQUENCE *ref_seq) { int begin_flag = 0, undefined_flag; unsigned long map_pos, seq_pos; unsigned char *seq, *seq_buffer; seq_buffer = (unsigned char *) CALLOC((unsigned int) (last_ref_base - first_ref_base + 1), sizeof(unsigned char)); if (seq_buffer == 0) ali_fatal_error("Out of memory"); seq = seq_buffer; seq_pos = 0; undefined_flag = 0; for (map_pos = 0; map_pos <= last_seq_base - first_seq_base; map_pos++) { if (!undefined_flag) begin_flag = ref_seq->is_begin(first_seq_base + map_pos); if (!((*undefined)[map_pos/8]>>(7-(map_pos%8)) & 0x01) && !((*inserted)[map_pos/8]>>(7-(map_pos%8)) & 0x01)) { for (;seq_pos < (unsigned long)((*mapping)[map_pos]); seq_pos++) { if (begin_flag) *seq++ = ALI_DOT_CODE; else *seq++ = ALI_GAP_CODE; } *seq++ = ref_seq->base(first_seq_base + map_pos); seq_pos++; undefined_flag = 0; } else undefined_flag = 1; } begin_flag = ref_seq->is_begin(first_seq_base + map_pos); for (;seq_pos <= last_ref_base - first_ref_base; seq_pos++) { if (begin_flag) *seq++ = ALI_DOT_CODE; else *seq++ = ALI_GAP_CODE; } return new ALI_SEQUENCE(ref_seq->name(),seq_buffer, last_ref_base - first_ref_base + 1); } ALI_MAP *ALI_MAP::inverse_without_inserts(void) { unsigned long map_pos; ALI_MAP *inv_map; inv_map = new ALI_MAP(first_ref_base, last_ref_base, first_seq_base, last_seq_base); for (map_pos = 0; map_pos <= last_seq_base - first_seq_base; map_pos++) { if (!((*undefined)[map_pos/8]>>(7-(map_pos%8)) & 0x01) && !((*inserted)[map_pos/8]>>(7-(map_pos%8)) & 0x01)) { inv_map->set(first_ref_base + (*mapping)[map_pos], map_pos); } } return inv_map; } char *ALI_MAP::insert_marker(void) { int ins_counter; unsigned long map_pos, seq_pos; char *seq, *seq_buffer; seq_buffer = (char *) CALLOC( (last_ref_base - first_ref_base + insert_counter + 2), sizeof(char)); seq = seq_buffer; seq_pos = 0; ins_counter = 0; for (map_pos = 0; map_pos <= last_seq_base - first_seq_base; map_pos++) { if (!(((*undefined)[map_pos/8]>>(7-(map_pos%8))) & 0x01)) { for (;seq_pos < (unsigned long)((*mapping)[map_pos] + ins_counter); seq_pos++) { *seq++ = '.'; } if ((*inserted)[map_pos/8]>>(7-(map_pos%8)) & 0x01) *seq++ = 'X'; else *seq++ = '.'; seq_pos++; } if ((*inserted)[map_pos/8]>>(7-(map_pos%8)) & 0x01) ins_counter++; } for (;seq_pos <= last_ref_base - first_ref_base + ins_counter;seq_pos++) { *seq++ = '.'; } *seq = '\0'; return seq_buffer; } /***************************************************************************** * * ALI_SUB_SOLUTION * *****************************************************************************/ ALI_SUB_SOLUTION::ALI_SUB_SOLUTION(ALI_SUB_SOLUTION *solution) { ALI_MAP *map; ALI_TLIST *list; profile = solution->profile; if (!solution->map_list.is_empty()) { list = &solution->map_list; map = new ALI_MAP(list->first()); map_list.append_end(map); while (list->is_next()) { map = new ALI_MAP(list->next()); map_list.append_end(map); } } } ALI_SUB_SOLUTION::~ALI_SUB_SOLUTION(void) { ALI_MAP *map; if (!map_list.is_empty()) { map = map_list.first(); delete map; while (map_list.is_next()) { map = map_list.next(); delete map; } } } int ALI_SUB_SOLUTION::free_area( unsigned long *start, unsigned long *end, unsigned long *start_ref, unsigned long *end_ref, unsigned long area_number) { ALI_MAP *map; unsigned long last_of_prev, last_of_prev_ref; unsigned long area_number_akt; if (map_list.is_empty()) { if (area_number > 0) return 0; *start = 0; *end = profile->sequence_length() - 1; *start_ref = 0; *end_ref = profile->length() - 1; return 1; } area_number_akt = 0; map = map_list.first(); if (map->first_base() > 0 && map->first_reference_base() > 0) { if (area_number_akt == area_number) { *start = 0; *end = map->first_base() - 1; *start_ref = 0; *end_ref = map->first_reference_base() - 1; return 1; } area_number_akt++; } last_of_prev = map->last_base(); last_of_prev_ref = map->last_reference_base(); while (map_list.is_next()) { map = map_list.next(); if (map->first_base() > last_of_prev + 1) { if (area_number_akt == area_number) { *start = last_of_prev + 1; *end = map->first_base() - 1; *start_ref = last_of_prev_ref + 1; *end_ref = map->first_reference_base() - 1; return 1; } area_number_akt++; } last_of_prev = map->last_base(); last_of_prev_ref = map->last_reference_base(); } if (map->last_base() < profile->sequence_length() - 1 && area_number_akt == area_number) { *start = map->last_base() + 1; *end = profile->sequence_length() - 1; *start_ref = map->last_reference_base() + 1; *end_ref = profile->length() - 1; return 1; } return 0; } unsigned long ALI_SUB_SOLUTION::number_of_free_areas(void) { ALI_MAP *map; unsigned long last_of_prev; unsigned long counter; if (map_list.is_empty()) return 1; counter = 0; map = map_list.first(); if (map->first_base() > 0 && map->first_reference_base() > 0) counter++; last_of_prev = map->last_base(); while (map_list.is_next()) { map = map_list.next(); if (map->first_base() > last_of_prev + 1) counter++; last_of_prev = map->last_base(); } if (map->last_base() < profile->sequence_length() - 1) counter++; return counter; } int ALI_SUB_SOLUTION::is_konsistent(ALI_MAP *in_map) { ALI_MAP *map; unsigned long last_of_prev, last_of_prev_ref; if (map_list.is_empty()) { if (in_map->last_base() < profile->sequence_length() && in_map->last_reference_base() < profile->length()) return 1; return 0; } map = map_list.first(); if (in_map->last_base() < map->first_base() && in_map->last_reference_base() < map->first_reference_base()) { return 1; } last_of_prev = map->last_base(); last_of_prev_ref = map->last_reference_base(); while (map_list.is_next()) { map = map_list.next(); if (last_of_prev < in_map->first_base() && in_map->last_base() < map->first_base() && last_of_prev_ref < in_map->first_reference_base() && in_map->last_reference_base() < map->first_reference_base()) { return 1; } last_of_prev = map->last_base(); last_of_prev_ref = map->last_reference_base(); } if (map->last_base() < in_map->first_base() && in_map->last_base() < profile->sequence_length() && map->last_reference_base() < in_map->first_base() && in_map->last_base() < profile->length()) { return 1; } return 0; } int ALI_SUB_SOLUTION::insert(ALI_MAP *in_map) { ALI_MAP *map; unsigned long last_of_prev, last_of_prev_ref; if (map_list.is_empty()) { if (in_map->last_base() < profile->sequence_length() && in_map->last_reference_base() < profile->length()) { map_list.append_end(in_map); return 1; } return 0; } map = map_list.first(); if (in_map->last_base() < map->first_base() && in_map->last_reference_base() < map->first_reference_base()) { map_list.insert_bevor(in_map); return 1; } last_of_prev = map->last_base(); last_of_prev_ref = map->last_reference_base(); while (map_list.is_next()) { map = map_list.next(); if (last_of_prev < in_map->first_base() && in_map->last_base() < map->first_base() && last_of_prev_ref < in_map->first_reference_base() && in_map->last_reference_base() < map->first_reference_base()) { map_list.insert_bevor(in_map); return 1; } last_of_prev = map->last_base(); last_of_prev_ref = map->last_reference_base(); } if (map->last_base() < in_map->first_base() && in_map->last_base() < profile->sequence_length() && map->last_reference_base() < in_map->first_reference_base() && in_map->last_reference_base() < profile->length()) { map_list.append_end(in_map); return 1; } return 0; } int ALI_SUB_SOLUTION::delete_map(ALI_MAP *del_map) { ALI_MAP *map; if (map_list.is_empty()) return 0; map = map_list.first(); if (map == del_map) { map_list.delete_element(); return 1; } while (map_list.is_next()) { map = map_list.next(); if (map == del_map) { map_list.delete_element(); return 1; } } return 0; } ALI_MAP *ALI_SUB_SOLUTION::make_one_map(void) { ALI_MAP *map, *new_map; unsigned long i; unsigned long last_pos; unsigned long first_base_of_first, first_reference_of_first; unsigned long last_base_of_last, last_reference_of_last; /* * check if maps are closed */ if (map_list.is_empty()) return 0; map = map_list.first(); first_base_of_first = map->first_base(); first_reference_of_first = map->first_reference_base(); last_base_of_last = map->last_base(); last_reference_of_last = map->last_reference_base(); while (map_list.is_next()) { map = map_list.next(); if (last_base_of_last != map->first_base() - 1 || last_reference_of_last != map->first_reference_base() - 1) ali_fatal_error("maps are not compact", "ALI_SUB_SOLUTION::make_one_map()"); last_base_of_last = map->last_base(); last_reference_of_last = map->last_reference_base(); } new_map = new ALI_MAP(first_base_of_first,last_base_of_last, first_reference_of_first,last_reference_of_last); map = map_list.first(); do { last_pos = 0; for (i = map->first_base(); i <= map->last_base(); i++) { if (map->is_undefined(i)) ali_fatal_error("Unexpected value", "ALI_SUB_SOLUTION::make_one_map()"); if ((unsigned long)(map->position(i)) < last_pos) ali_fatal_error("Inconsistent positions", "ALI_SUB_SOLUTION::make_one_map()"); last_pos = map->position(i); if (map->is_inserted(i)) new_map->set(i,map->first_reference_base() + map->position(i) - first_reference_of_first,1); else new_map->set(i,map->first_reference_base() + map->position(i) - first_reference_of_first,0); } if (map_list.is_next()) map = map_list.next(); else map = 0; } while (map != 0); return new_map; } void ALI_SUB_SOLUTION::print(void) { ALI_MAP *map; printf("ALI_SUB_SOLUTION:\n"); if (!map_list.is_empty()) { map = map_list.first(); printf("(%ld to %ld) -> (%ld to %ld)\n", map->first_base(), map->last_base(), map->first_reference_base(), map->last_reference_base()); while (map_list.is_next()) { map = map_list.next(); printf("(%ld to %ld) -> (%ld to %ld)\n", map->first_base(), map->last_base(), map->first_reference_base(), map->last_reference_base()); } } } ./arbsrc_9167/NALIGNER/ali_solution.hxx0000644012664100000130000001416111440742777017610 0ustar arb_buildcoders #ifndef _ALI_SOLUTION_INC_ #define _ALI_SOLUTION_INC_ // #include #include "ali_profile.hxx" #include "ali_sequence.hxx" #include "ali_tlist.hxx" class ALI_MAP { unsigned long first_seq_base, last_seq_base; unsigned long first_ref_base, last_ref_base; long **mapping; unsigned char **inserted; unsigned char **undefined; unsigned long insert_counter; public: ALI_MAP(unsigned long first_seq_base, unsigned long last_seq_base, unsigned long first_ref_base, unsigned long last_ref_base); ALI_MAP(ALI_MAP *map); ~ALI_MAP(void) { if (mapping) free((char *) mapping); if (inserted) free((char *) inserted); if (undefined) free((char *) undefined); } unsigned long first_base(void) { return first_seq_base; } unsigned long last_base(void) { return last_seq_base; } unsigned long first_reference_base(void) { return first_ref_base; } unsigned long last_reference_base(void) { return last_ref_base; } /* * Set position of base to position (relative to first_ref_base) */ void set(unsigned long base, unsigned long pos, int insert = -1) { unsigned long b; if (base < first_seq_base || base > last_seq_base) ali_fatal_error("Base number out of range","ALI_MAP::set()"); if (pos > last_ref_base - first_ref_base) ali_fatal_error("Position out of range","ALI_MAP::set()"); b = base - first_seq_base; (*mapping)[b] = pos; (*undefined)[b/8] &= (unsigned char) ~(0x01<<(7-(b%8))); switch(insert) { case 0: if ((*inserted)[b/8]>>(7-(b%8)) & 0x01) { if (insert_counter > 0) insert_counter--; else ali_fatal_error("Inconsistent insert_counter", "ALI_MAP::set()"); (*inserted)[b/8] &= (unsigned char) ~(0x01<<(7-(b%8))); } break; case 1: if (!((*inserted)[b/8]>>(7-(b%8)) & 0x01)) { (*inserted)[b/8] |= (unsigned char) (0x01<<(7-(b%8))); insert_counter++; } } } long position(unsigned long base) { if (base < first_seq_base || base > last_seq_base) ali_fatal_error("Out of range","ALI_MAP::position()"); return (*mapping)[base - first_seq_base]; } unsigned long insertations(void) { return insert_counter; } int is_inserted(unsigned long base) { unsigned long b; if (base < first_seq_base && base > last_seq_base) ali_fatal_error("Out of range","ALI_MAP::inserted"); b = base - first_seq_base; if (((*inserted)[b/8]>>(7-(b%8))) & 0x01) return 1; else return 0; } void undefine(unsigned long base) { unsigned long b; if (base < first_seq_base && base > last_seq_base) ali_fatal_error("Out of range","ALI_MAP::undefine()"); b = base - first_seq_base; (*undefined)[b/8] |= (unsigned char) (0x01<<(7-(b%8))); } void unundefine(unsigned long base) { unsigned long b; if (base < first_seq_base && base > last_seq_base) ali_fatal_error("Out of range","ALI_MAP::unundefine()"); b = base - first_seq_base; (*undefined)[b/8] &= (unsigned char) ~(0x01<<(7-(b%8))); } int is_undefined(unsigned long base) { unsigned long b; if (base < first_seq_base && base > last_seq_base) ali_fatal_error("Out of range","ALI_MAP::undefined()"); b = base - first_seq_base; if (((*undefined)[b/8]>>(7-(b%8))) & 0x01) return 1; else return 0; } int have_undefined(void) { unsigned long b; for (b = first_seq_base; b <= last_seq_base; b++) if (is_undefined(b)) return 1; return 0; } int is_konsistent(void); int is_equal(ALI_MAP *map) { unsigned long i; if (first_seq_base != map->first_seq_base || last_seq_base != map->last_seq_base || first_ref_base != map->first_ref_base || last_ref_base != map->last_ref_base) return 0; for (i = 0; i < last_seq_base - first_seq_base + 1; i++) if ((*mapping)[i] != (*map->mapping)[i]) return 0; for (i = 0; i < ((last_seq_base - first_seq_base) / 8) + 1; i++) if ((*inserted)[i] != (*map->inserted)[i]) return 0; return 1; } ALI_SEQUENCE *sequence(ALI_NORM_SEQUENCE *ref_seq); ALI_SEQUENCE *sequence_without_inserts(ALI_NORM_SEQUENCE *ref_seq); ALI_MAP *inverse_without_inserts(void); char *insert_marker(void); void print(void) { unsigned long i; printf("Map: Bases %ld to %ld, Positions %ld to %ld\n", first_seq_base,last_seq_base,first_ref_base,last_ref_base); printf("Undefined : "); for (i = first_seq_base; i <= last_seq_base; i++) if (is_undefined(i)) printf("%ld ",i); printf("\n"); /* for (i = 0; i <= (last_seq_base - first_seq_base); i++) printf("%d, ",first_ref_base + (*mapping)[i]); printf("\n"); */ } }; class ALI_SUB_SOLUTION { ALI_PROFILE *profile; ALI_TLIST map_list; public: ALI_SUB_SOLUTION(ALI_PROFILE *prof) : map_list() { profile = prof; } ALI_SUB_SOLUTION(ALI_PROFILE *prof, ALI_MAP *map) : map_list(map) { profile = prof; } ALI_SUB_SOLUTION(ALI_SUB_SOLUTION *solution); ~ALI_SUB_SOLUTION(void); int free_area(unsigned long *start, unsigned long *end, unsigned long *start_ref, unsigned long *end_ref, unsigned long area_number = 0); unsigned long number_of_free_areas(void); int is_konsistent(ALI_MAP *map); int insert(ALI_MAP *map); int delete_map(ALI_MAP *map); ALI_MAP *make_one_map(void); void print(void); }; #endif ./arbsrc_9167/NALIGNER/ali_tarray.hxx0000644012664100000130000000364211440742777017240 0ustar arb_buildcoders #ifndef _ALI_TARRAY_INC_ #define _ALI_TARRAY_INC_ // #include #include "ali_misc.hxx" #include "ali_tlist.hxx" template class ALI_TARRAY { T **array; unsigned long size_of_array; public: ALI_TARRAY(unsigned long Size) { size_of_array = Size; array = (T **) calloc((unsigned int) Size, sizeof(T)); //array = (T (*) [1]) calloc((unsigned int) Size, sizeof(T)); if (array == 0) ali_fatal_error("Out of memory"); } ALI_TARRAY(ALI_TLIST* list) { unsigned long l = 0; size_of_array = list->cardinality(); array = (T (*) []) calloc((unsigned int) size_of_array,sizeof(T)); if (array == 0) ali_fatal_error("Out of memory"); if (!list->is_empty()) { (*array)[l++] = list->first(); while (list->is_next() && l < size_of_array) (*array)[l++] = list->next(); if (list->is_next()) ali_fatal_error("List inconsitent","ALI_TARRAY::ALI_TARRAY()"); } } /* ALI_TARRAY(ALI_TARRAY *ar) { unsigned long l = 0; size_of_array = ar->size_of_array; array = (T (*) []) calloc((unsigned int) size_of_array,sizeof(T)); if (array == 0) ali_fatal_error("Out of memory"); for (l = 0; l < size_of_array; l++) (*array)[l] = (*ar->array)[l]; } */ ~ALI_TARRAY(void) { if (array) free((char *) array); } unsigned long size(void) { return size_of_array; } void set(unsigned long position, T value) { if (position >= size_of_array) ali_fatal_error("Access out of array","ALI_TARRAY::set()"); (*array)[position] = value; } T get(unsigned long position) { if (position >= size_of_array) ali_fatal_error("Access out of array","ALI_TARRAY::get()"); return (*array)[position]; } }; #endif ./arbsrc_9167/NALIGNER/ali_tlist.cxx0000644012664100000130000001367511440742777017077 0ustar arb_buildcoders #include #include "ali_misc.hxx" #include "ali_tlist.hxx" template void ALI_TLIST::append_end(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (last_elem != 0) { last_elem->next_elem = elem; elem->prev_elem = last_elem; last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::append_end(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.first_elem; akt_elem != 0; akt_elem = akt_elem->next_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (last_elem != 0) { last_elem->next_elem = elem; elem->prev_elem = last_elem; last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::append_front(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (first_elem != 0) { first_elem->prev_elem = elem; elem->next_elem = first_elem; first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::append_front(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.last_elem; akt_elem != 0; akt_elem = akt_elem->prev_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (first_elem != 0) { first_elem->prev_elem = elem; elem->next_elem = first_elem; first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::insert_after(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (current_elem != 0) { if (current_elem->next_elem != 0) { elem->next_elem = current_elem->next_elem; current_elem->next_elem->prev_elem = elem; } current_elem->next_elem = elem; elem->prev_elem = current_elem; if (current_elem == last_elem) last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::insert_after(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.first_elem; akt_elem != 0; akt_elem = akt_elem->next_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (current_elem != 0) { if (current_elem->next_elem != 0) { elem->next_elem = current_elem->next_elem; current_elem->next_elem->prev_elem = elem; } current_elem->next_elem = elem; elem->prev_elem = current_elem; if (current_elem == last_elem) last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::insert_bevor(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (current_elem != 0) { if (current_elem->prev_elem != 0) { elem->prev_elem = current_elem->prev_elem; current_elem->prev_elem->next_elem = elem; } current_elem->prev_elem = elem; elem->next_elem = current_elem; if (current_elem == first_elem) first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::insert_bevor(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.last_elem; akt_elem != 0; akt_elem = akt_elem->prev_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (current_elem != 0) { if (current_elem->prev_elem != 0) { elem->prev_elem = current_elem->prev_elem; current_elem->prev_elem->next_elem = elem; } current_elem->prev_elem = elem; elem->next_elem = current_elem; if (current_elem == first_elem) first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::delete_element(void) { ALI_TLIST_ELEM *elem; if (current_elem != 0) { if (current_elem == marked_elem) { ali_warning("Delete marked element"); marked_elem = 0; } /* prev_elem <--> current <--> next_elem */ if (current_elem->prev_elem != 0 && current_elem->next_elem != 0) { elem = current_elem; current_elem->prev_elem->next_elem = current_elem->next_elem; current_elem->next_elem->prev_elem = current_elem->prev_elem; current_elem = current_elem->next_elem; delete elem; } else { /* prev_elem <--> current -| */ if (current_elem->prev_elem != 0) { elem = current_elem; current_elem->prev_elem->next_elem = 0; current_elem = current_elem->prev_elem; last_elem = current_elem; delete elem; } else { /* |- current <--> next_elem */ if (current_elem->next_elem != 0) { elem = current_elem; current_elem->next_elem->prev_elem = 0; current_elem = current_elem->next_elem; first_elem = current_elem; delete elem; } else { /* |- current -| */ elem = current_elem; delete elem; first_elem = last_elem = current_elem = 0; } } } cardinal--; } } ./arbsrc_9167/NALIGNER/ali_tlist.hxx0000644012664100000130000002573411440742777017103 0ustar arb_buildcoders #ifndef _ALI_TLIST_INC_ #define _ALI_TLIST_INC_ #include "ali_misc.hxx" #include template struct ALI_TLIST_ELEM { T info; ALI_TLIST_ELEM *next_elem, *prev_elem; ALI_TLIST_ELEM(T &a) : info(a) { prev_elem = next_elem = 0; } void print(void) { printf("<%8p (%8p) %8p> = %lx", prev_elem,this,next_elem,info); } }; template class ALI_TLIST { ALI_TLIST_ELEM *first_elem, *last_elem; ALI_TLIST_ELEM *current_elem; ALI_TLIST_ELEM *marked_elem; unsigned long cardinal; public: int is_consistent(void) { int current_inside_flag = 0; int marked_inside_flag = 0; ALI_TLIST_ELEM *akt, *pre; if (!((current_elem == 0 && first_elem == 0 && last_elem == 0) || (current_elem != 0 && first_elem != 0 && last_elem != 0))) { printf("List is inconsistent (1)\n"); return 0; } if (first_elem != 0) { pre = first_elem; if (current_elem == pre) current_inside_flag = 1; if (marked_elem == pre) marked_inside_flag = 1; akt = pre->next_elem; while (akt) { if (current_elem == akt) current_inside_flag = 1; if (marked_elem == akt) marked_inside_flag = 1; if (akt->prev_elem != pre) { printf("List is inconsistent (2)\n"); return 0; } pre = akt; akt = akt->next_elem; } if (pre != last_elem) { printf("List is inconsistent (3)\n"); return 0; } if (current_inside_flag == 0) { printf("List is inconsistent (4)\n"); return 0; } if (marked_elem && marked_inside_flag == 0) { printf("List is inconsistent (5)\n"); return 0; } } return 1; } ALI_TLIST(void) { first_elem = last_elem = current_elem = marked_elem = 0; cardinal = 0; } ALI_TLIST(T &a) { marked_elem = 0; first_elem = last_elem = current_elem = new ALI_TLIST_ELEM(a); cardinal = 1; } ~ALI_TLIST(void) { while (first_elem != 0) { current_elem = first_elem; first_elem = current_elem->next_elem; delete current_elem; } } void print(void) { unsigned long l; ALI_TLIST_ELEM *akt; printf("List (%ld):\n", cardinal); printf("first = %p last = %p current = %p marked = %p\n", first_elem, last_elem, current_elem, marked_elem); for (akt = first_elem, l = 0; akt != 0 && akt != last_elem; l++, akt = akt->next_elem) { printf("%2ld ",l); akt->print(); printf("\n"); } if (akt != 0) akt->print(); printf("\n\n"); } /* clear the list */ void make_empty(void) { while (first_elem != 0) { current_elem = first_elem; first_elem = current_elem->next_elem; delete current_elem; } first_elem = last_elem = current_elem = marked_elem = 0; cardinal = 0; } /* append at end or front of _list_ */ void append_end(T &a); void append_end(ALI_TLIST &a); void append_front(T &a); void append_front(ALI_TLIST &a); /* insert after or bevore _current_ element */ void insert_after(T &a); void insert_after(ALI_TLIST &a); void insert_bevor(T &a); void insert_bevor(ALI_TLIST &a); /* delete _current_ element and goto _next_ element */ void delete_element(void); /* Mark a unique element */ void mark_element(void) { marked_elem = current_elem; } void marked(void) { if (marked_elem == 0) ali_fatal_error("No marked element in list","ALI_TLIST::marked()"); current_elem = marked_elem; marked_elem = 0; } /* Overwrite */ void overwrite_element(T new_elem) { if (current_elem != 0) (current_elem->info) = new_elem; } /* For navigation through the list */ int cardinality() { return cardinal; } int is_empty() { return (current_elem == 0); } int is_next() { return (current_elem != 0 && current_elem->next_elem != 0); } int is_prev() { return (current_elem != 0 && current_elem->prev_elem != 0); } T current() { return current_elem->info; } T first() { current_elem = first_elem; return current_elem->info; } T last() { current_elem = last_elem; return current_elem->info; } T next() { if (current_elem->next_elem != 0) current_elem = current_elem->next_elem; return current_elem->info; } T prev() { if (current_elem->prev_elem != 0) current_elem = current_elem->prev_elem; return current_elem->info; } }; template void ALI_TLIST::append_end(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (last_elem != 0) { last_elem->next_elem = elem; elem->prev_elem = last_elem; last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::append_end(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.first_elem; akt_elem != 0; akt_elem = akt_elem->next_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (last_elem != 0) { last_elem->next_elem = elem; elem->prev_elem = last_elem; last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::append_front(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (first_elem != 0) { first_elem->prev_elem = elem; elem->next_elem = first_elem; first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::append_front(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.last_elem; akt_elem != 0; akt_elem = akt_elem->prev_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (first_elem != 0) { first_elem->prev_elem = elem; elem->next_elem = first_elem; first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::insert_after(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (current_elem != 0) { if (current_elem->next_elem != 0) { elem->next_elem = current_elem->next_elem; current_elem->next_elem->prev_elem = elem; } current_elem->next_elem = elem; elem->prev_elem = current_elem; if (current_elem == last_elem) last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::insert_after(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.first_elem; akt_elem != 0; akt_elem = akt_elem->next_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (current_elem != 0) { if (current_elem->next_elem != 0) { elem->next_elem = current_elem->next_elem; current_elem->next_elem->prev_elem = elem; } current_elem->next_elem = elem; elem->prev_elem = current_elem; if (current_elem == last_elem) last_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::insert_bevor(T &a) { ALI_TLIST_ELEM *elem = new ALI_TLIST_ELEM(a); if (current_elem != 0) { if (current_elem->prev_elem != 0) { elem->prev_elem = current_elem->prev_elem; current_elem->prev_elem->next_elem = elem; } current_elem->prev_elem = elem; elem->next_elem = current_elem; if (current_elem == first_elem) first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } template void ALI_TLIST::insert_bevor(ALI_TLIST &a) { ALI_TLIST_ELEM *elem, *akt_elem; for (akt_elem = a.last_elem; akt_elem != 0; akt_elem = akt_elem->prev_elem) { elem = new ALI_TLIST_ELEM(akt_elem->info); if (current_elem != 0) { if (current_elem->prev_elem != 0) { elem->prev_elem = current_elem->prev_elem; current_elem->prev_elem->next_elem = elem; } current_elem->prev_elem = elem; elem->next_elem = current_elem; if (current_elem == first_elem) first_elem = elem; } else { last_elem = first_elem = current_elem = elem; } cardinal++; } } template void ALI_TLIST::delete_element(void) { ALI_TLIST_ELEM *elem; if (current_elem != 0) { if (current_elem == marked_elem) { ali_warning("Delete marked element"); marked_elem = 0; } /* prev_elem <--> current <--> next_elem */ if (current_elem->prev_elem != 0 && current_elem->next_elem != 0) { elem = current_elem; current_elem->prev_elem->next_elem = current_elem->next_elem; current_elem->next_elem->prev_elem = current_elem->prev_elem; current_elem = current_elem->next_elem; delete elem; } else { /* prev_elem <--> current -| */ if (current_elem->prev_elem != 0) { elem = current_elem; current_elem->prev_elem->next_elem = 0; current_elem = current_elem->prev_elem; last_elem = current_elem; delete elem; } else { /* |- current <--> next_elem */ if (current_elem->next_elem != 0) { elem = current_elem; current_elem->next_elem->prev_elem = 0; current_elem = current_elem->next_elem; first_elem = current_elem; delete elem; } else { /* |- current -| */ elem = current_elem; delete elem; first_elem = last_elem = current_elem = 0; } } } cardinal--; } } #endif ./arbsrc_9167/NALIGNER/ali_tstack.hxx0000644012664100000130000000320211440742777017217 0ustar arb_buildcoders #ifndef _ALI_TSTACK_INC_ #define _ALI_TSTACK_INC_ // #include #include "ali_misc.hxx" template class ALI_TSTACK { T **array; unsigned long size_of_array; unsigned long next_elem; public: ALI_TSTACK(unsigned long size) { size_of_array = size; next_elem = 0; array = (T **) calloc((unsigned int) size, sizeof(T)); //array = (T (*) [1]) calloc((unsigned int) size, sizeof(T)); } ~ALI_TSTACK(void) { if (array) free((char *) array); } unsigned long max_size(void) { return size_of_array; } unsigned long akt_size(void) { return next_elem; } void push(T value, unsigned long count = 1) { if (next_elem + count - 1 >= size_of_array) ali_fatal_error("Access out of array","ALI_TSTACK::push()"); for (; count > 0; count--) (*array)[next_elem++] = value; } T pop(unsigned long count = 1) { if (count == 0) ali_fatal_error("Nothing poped","ALI_TSTACK::pop()"); if (next_elem - count + 1 <= 0) ali_fatal_error("Access out of array","ALI_TSTACK::pop()"); next_elem -= count; return (*array)[next_elem]; } T top(void) { if (next_elem <= 0) ali_fatal_error("Access out of array","ALI_TSTACK::top()"); return (*array)[next_elem - 1]; } T get(unsigned long position) { if (position >= next_elem) { ali_fatal_error("Access out of array","ALI_TSTACK::get()"); } return (*array)[position]; } void clear(void) { next_elem = 0; } }; #endif ./arbsrc_9167/NALIGNER/Makefile0000644012664100000130000002007511440742777016017 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend #CFLAGS = -g #CFLAGS = -O2 CFLAGS = $(cflags) CPP_OBJECTS = \ ali_aligner.o \ ali_arbdb.o \ ali_global.o \ ali_main.o \ ali_pathmap.o \ ali_prealigner.o \ ali_profile.o \ ali_pt.o \ ali_sequence.o \ ali_solution.o \ $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(CFLAGS) -c -o $@ $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ali_aligner.o: ali_aligner.hxx ali_aligner.o: ali_arbdb.hxx ali_aligner.o: ali_misc.hxx ali_aligner.o: ali_other_stuff.hxx ali_aligner.o: ali_pathmap.hxx ali_aligner.o: ali_profile.hxx ali_aligner.o: ali_pt.hxx ali_aligner.o: ali_sequence.hxx ali_aligner.o: ali_solution.hxx ali_aligner.o: ali_tarray.hxx ali_aligner.o: ali_tlist.hxx ali_aligner.o: ali_tstack.hxx ali_aligner.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_aligner.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_aligner.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_aligner.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_aligner.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_aligner.o: $(ARBHOME)/INCLUDE/arbdb.h ali_aligner.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_aligner.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_aligner.o: $(ARBHOME)/INCLUDE/attributes.h ali_aligner.o: $(ARBHOME)/INCLUDE/client.h ali_aligner.o: $(ARBHOME)/INCLUDE/PT_com.h ali_aligner.o: $(ARBHOME)/INCLUDE/server.h ali_aligner.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_arbdb.o: ali_arbdb.hxx ali_arbdb.o: ali_misc.hxx ali_arbdb.o: ali_other_stuff.hxx ali_arbdb.o: ali_sequence.hxx ali_arbdb.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_arbdb.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_arbdb.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_arbdb.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_arbdb.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_arbdb.o: $(ARBHOME)/INCLUDE/arbdb.h ali_arbdb.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_arbdb.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_arbdb.o: $(ARBHOME)/INCLUDE/attributes.h ali_arbdb.o: $(ARBHOME)/INCLUDE/PT_com.h ali_arbdb.o: $(ARBHOME)/INCLUDE/server.h ali_arbdb.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_global.o: ali_arbdb.hxx ali_global.o: ali_global.hxx ali_global.o: ali_misc.hxx ali_global.o: ali_other_stuff.hxx ali_global.o: ali_pathmap.hxx ali_global.o: ali_prealigner.hxx ali_global.o: ali_profile.hxx ali_global.o: ali_pt.hxx ali_global.o: ali_sequence.hxx ali_global.o: ali_solution.hxx ali_global.o: ali_tarray.hxx ali_global.o: ali_tlist.hxx ali_global.o: ali_tstack.hxx ali_global.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_global.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_global.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_global.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_global.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_global.o: $(ARBHOME)/INCLUDE/arbdb.h ali_global.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_global.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_global.o: $(ARBHOME)/INCLUDE/attributes.h ali_global.o: $(ARBHOME)/INCLUDE/client.h ali_global.o: $(ARBHOME)/INCLUDE/PT_com.h ali_global.o: $(ARBHOME)/INCLUDE/server.h ali_global.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_main.o: ali_aligner.hxx ali_main.o: ali_arbdb.hxx ali_main.o: ali_global.hxx ali_main.o: ali_misc.hxx ali_main.o: ali_other_stuff.hxx ali_main.o: ali_pathmap.hxx ali_main.o: ali_prealigner.hxx ali_main.o: ali_profile.hxx ali_main.o: ali_pt.hxx ali_main.o: ali_sequence.hxx ali_main.o: ali_solution.hxx ali_main.o: ali_tarray.hxx ali_main.o: ali_tlist.hxx ali_main.o: ali_tstack.hxx ali_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_main.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_main.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_main.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_main.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_main.o: $(ARBHOME)/INCLUDE/arbdb.h ali_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_main.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_main.o: $(ARBHOME)/INCLUDE/attributes.h ali_main.o: $(ARBHOME)/INCLUDE/client.h ali_main.o: $(ARBHOME)/INCLUDE/PT_com.h ali_main.o: $(ARBHOME)/INCLUDE/server.h ali_main.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_pathmap.o: ali_misc.hxx ali_pathmap.o: ali_pathmap.hxx ali_pathmap.o: ali_tarray.hxx ali_pathmap.o: ali_tlist.hxx ali_pathmap.o: $(ARBHOME)/INCLUDE/attributes.h ali_prealigner.o: ali_aligner.hxx ali_prealigner.o: ali_arbdb.hxx ali_prealigner.o: ali_misc.hxx ali_prealigner.o: ali_other_stuff.hxx ali_prealigner.o: ali_pathmap.hxx ali_prealigner.o: ali_prealigner.hxx ali_prealigner.o: ali_profile.hxx ali_prealigner.o: ali_pt.hxx ali_prealigner.o: ali_sequence.hxx ali_prealigner.o: ali_solution.hxx ali_prealigner.o: ali_tarray.hxx ali_prealigner.o: ali_tlist.hxx ali_prealigner.o: ali_tstack.hxx ali_prealigner.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_prealigner.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_prealigner.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_prealigner.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_prealigner.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_prealigner.o: $(ARBHOME)/INCLUDE/arbdb.h ali_prealigner.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_prealigner.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_prealigner.o: $(ARBHOME)/INCLUDE/attributes.h ali_prealigner.o: $(ARBHOME)/INCLUDE/client.h ali_prealigner.o: $(ARBHOME)/INCLUDE/PT_com.h ali_prealigner.o: $(ARBHOME)/INCLUDE/server.h ali_prealigner.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_profile.o: ali_arbdb.hxx ali_profile.o: ali_misc.hxx ali_profile.o: ali_other_stuff.hxx ali_profile.o: ali_profile.hxx ali_profile.o: ali_pt.hxx ali_profile.o: ali_sequence.hxx ali_profile.o: ali_solution.hxx ali_profile.o: ali_tlist.hxx ali_profile.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_profile.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_profile.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_profile.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_profile.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_profile.o: $(ARBHOME)/INCLUDE/arbdb.h ali_profile.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_profile.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_profile.o: $(ARBHOME)/INCLUDE/attributes.h ali_profile.o: $(ARBHOME)/INCLUDE/BI_helix.hxx ali_profile.o: $(ARBHOME)/INCLUDE/client.h ali_profile.o: $(ARBHOME)/INCLUDE/PT_com.h ali_profile.o: $(ARBHOME)/INCLUDE/server.h ali_profile.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_pt.o: ali_misc.hxx ali_pt.o: ali_other_stuff.hxx ali_pt.o: ali_pt.hxx ali_pt.o: ali_sequence.hxx ali_pt.o: ali_tlist.hxx ali_pt.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_pt.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_pt.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_pt.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_pt.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_pt.o: $(ARBHOME)/INCLUDE/arbdb.h ali_pt.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_pt.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_pt.o: $(ARBHOME)/INCLUDE/attributes.h ali_pt.o: $(ARBHOME)/INCLUDE/client.h ali_pt.o: $(ARBHOME)/INCLUDE/PT_com.h ali_pt.o: $(ARBHOME)/INCLUDE/server.h ali_pt.o: $(ARBHOME)/INCLUDE/servercntrl.h ali_sequence.o: ali_misc.hxx ali_sequence.o: ali_sequence.hxx ali_sequence.o: $(ARBHOME)/INCLUDE/attributes.h ali_solution.o: ali_arbdb.hxx ali_solution.o: ali_misc.hxx ali_solution.o: ali_other_stuff.hxx ali_solution.o: ali_profile.hxx ali_solution.o: ali_pt.hxx ali_solution.o: ali_sequence.hxx ali_solution.o: ali_solution.hxx ali_solution.o: ali_tlist.hxx ali_solution.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ali_solution.o: $(ARBHOME)/INCLUDE/ad_prot.h ali_solution.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ali_solution.o: $(ARBHOME)/INCLUDE/aisc_func_types.h ali_solution.o: $(ARBHOME)/INCLUDE/arb_assert.h ali_solution.o: $(ARBHOME)/INCLUDE/arbdb.h ali_solution.o: $(ARBHOME)/INCLUDE/arbdb_base.h ali_solution.o: $(ARBHOME)/INCLUDE/arbdbt.h ali_solution.o: $(ARBHOME)/INCLUDE/attributes.h ali_solution.o: $(ARBHOME)/INCLUDE/client.h ali_solution.o: $(ARBHOME)/INCLUDE/PT_com.h ali_solution.o: $(ARBHOME)/INCLUDE/server.h ali_solution.o: $(ARBHOME)/INCLUDE/servercntrl.h ./arbsrc_9167/NAMES_COM/aisc_include.header0000644012664100000130000000004511440743000020264 0ustar arb_buildcoders/* NAMES_COM/aisc_include.header */ ./arbsrc_9167/NAMES_COM/Makefile0000644012664100000130000000155712050705370016147 0ustar arb_buildcoders# The file, where all structures are described MAIN_SOURCE = names.aisc # Your own server functions PRIVATE_SERVER_OBJECTS = names_extern.o # Public server/client sources (needed for dependencies) PUBLIC_SOURCES = $(wildcard C/*.c) # Do you want to create save and load AISC_SAVE = YES # C++ Compiler COMPILER = $(CPP) -x c++ $(cflags) -I$(ARBHOME)/INCLUDE CLIENTCOMPILER = $(COMPILER) # AISC dependencies AISC_COMPILER=../MAKEBIN/aisc AISC_DEPENDS = $(wildcard AISC/*.pa) $(AISC_COMPILER) include AISC/export2sub server.a: $(MAIN_SOURCE) $(PRIVATE_SERVER_OBJECTS:.o=.c) $(PUBLIC_SOURCES) $(AISC_DEPENDS) @$(MAKE) -r -f AISC/Makefile depends: @$(MAKE) -r -f AISC/Makefile pregenerate clean: @$(MAKE) -r -f AISC/Makefile clean # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ./arbsrc_9167/NAMES_COM/names.aisc0000644012664100000130000001464411221074127016452 0ustar arb_buildcodersPROJECT arboo_server OBJECT_KEY AN, # MAIN PREFIX MAX_KEY 40, # MAX NUMBER OF AN ATTRIBUTE MAX_OBJECT 6, # MAX DIFFERENT STRUCTURES MAX_STRING_LEN 1024, MAX_PAR_CNT 16, MAGIC_NUMBER 0x927289, # MAGIC_NUMBER 6 HEX DIGITS SERVER_INCLUDES (~ #include #include #include ~) INCLUDE_INCLUDES (~$$(#FILE aisc_include.header)~) DATA { # ********************************* USER DATA ******************************************* # ******************************* PRIVAT STRUCTURES: DO NOT CHANGE ********************************* @STRUCT, @SKEY, @SKEYC, @SDOCU; dll_public, , , (~Vater einer DoubledLinkedList dll~), { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @INIT, @DOCU; t_key, key, t, r, , , , , (~ The key~); int, cnt, t, r, , CNT, 0, , (~ Number of elements~); long, hash, t, , , , , , (~ Hash Table~); dllheader_ext, parent, flt, r, , PARENT, 1, , (~ My Owner~); dllheader_ext, last, flt, r, , LAST, 2, , (~ Pointer to the last element~); }; dll_header, COMMON, 0, (~Der Link Header (sollte Kopf jeder Funktion sein)~), { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @INIT, @DOCU; t_key, key, t, r, , KEY, 0, , (~ The Key~); aisc_string, aisc_get_keystring, %, r, , KEYSTRING, 1, , (~ THE STRING of the KEY ~); dll_public, parent, ls, r, , (~~), 2, , (~ Pointer to dll_public~); aisc_string, ident, t, , 1, IDENT, 5, , (~ The ident [not necessary]~); }; # ********************************* USER STRUCTURES ******************************************* AN_revers, REVERS, 4, (~ Revers mapping for shorts ~), { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @INIT, @DOCU; dllh, mh, t, , 1, (~~), 0, , (~Header~); aisc_string, full_name, t, rw, , , , , (~ the full name of a species ~); aisc_string, acc, t, rw, , , , , (~ accession number ~); aisc_string, add_id, t, rw, , , , , (~ additional id data ~); }; AN_shorts, SHORTS, 3, (~ a dictionary ~), SAVEDIRECTION HORIZONTAL, { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @INIT, @DOCU; dllh, mh, t, , 1, (~~), 0, , (~Header~); aisc_string, full_name, t, r, 1, FULL_NAME, 10, , (~ the full name of a species ~); aisc_string, acc, t, r, 1, ACC, 11, , (~ accession number ~); aisc_string, add_id, t, r, 1, ADDID, 12, , (~ additional id data ~); aisc_string, shrt, t, r, 1, SHORT, 13, , (~ The Short ~); }; # called from code using id AN_LOCAL # single functions: LOCAL_GET_SHORT LOCAL_DEL_SHORT AN_local, LOCAL, 2, (~local communication buffer~), { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @INIT, @DOCU; dllh, mh, t, , , (~~), 0, , (~Header~); int, socket, t, , , , , names_init_socket(THIS), (~the callback~), DESTROY names_destroy_socket(THIS); aisc_string, whoami, t, , , WHOAMI, 10, , (~ who am i ~); aisc_string, full_name, t, rw, , FULL_NAME, 11, "", (~ the full name of a species ~); aisc_string, acc, t, rw, , ACCESSION, 12, "", (~ accession number ~); aisc_string, add_id, t, rw, , ADDID, 13, "", (~ additional id data ~); int, use_advice, t, rw, , USEADVICE, 14, , (~ use the advice ~); aisc_string, advice, t, rw, , ADVICE, 15, "", (~ advice for the short name ~); aisc_string, get_short, %, r, , GET_SHORT, 16, , (~ get a short name ~); int, del_short, %, r, , DEL_SHORT, 17, , (~ forget stored short name ~); }; # called from code using id AN_MAIN # single functions: MAIN_SHUTDOWN MAIN_SAVEALL AN_main, MAIN, 1, (~Die globalen Daten~), SAVEDIRECTION VERTICAL, { @TYPE, @IDENT, @REF, @ACC, @SAVE, @KEY, @KEYC, @INIT, @DOCU; t_key, key, t, n, , , , , (~Der KEY~); AN_local, loc_st, d, , , LOCAL, 10, , (~Die Parameter~); AN_shorts, shorts1, d, r, 1, SHORTS1, 12, , (~ the unique letters for a word ~); AN_shorts, names, d, r, 1, NAMES, 16, , (~ the unique names first*second*S*accession ~); AN_revers, revers, d, r, , , , , (~ the revers unique names first*second*S*accession ~); int, touched, t, r, , TOUCHED, 19, 0, (~ Does the database need to be saved ~); aisc_string, server_shutdown, %, w, , SHUTDOWN, 20, , (~SHUTDOWN Command~); int, server_save, %, w, , SAVEALL, 21, , (~SAVE everything~); aisc_string, server_file, t, r, , FILENAME, 22, , (~The filename of the keys~); int, server_filedate, t, , , FILEDATE, 23, , (~The filedate of server_file~); int, dbversion, t, , 1, DBVERSION, 24, 4, (~Nameserver database version ~); aisc_string, add_field, t, r, 1, ADD_FIELD, 25, , (~additional field used for identification ~); aisc_string, add_field_default, t, r, 1, AF_DEFAULT, 26, , (~default value for add_field, if field is missing ~); long, prefix_hash, t, , , , , 0, (~prefix hash table~) }; }; ./arbsrc_9167/NAMES_COM/names_extern.c0000644012664100000130000000154111440743000017326 0ustar arb_buildcoders#include #include #include "names_server.h" struct sigcontext; #include "C/server.h" #include #include #include extern AN_main *aisc_main; void names_server_shutdown(void) __ATTR__NORETURN; int names_server_save(void); #ifdef __cplusplus extern "C" { #endif int names_destroy_locs(AN_local *THIS) { /* called when client closes connection */ destroy_AN_local(THIS); if (aisc_main->ploc_st.cnt <= 0) { /* last client disconnected */ names_server_save(); } return 0; } #ifdef __cplusplus } #endif int names_init_socket(AN_local *THIS) { aisc_add_destroy_callback((aisc_callback_func)names_destroy_locs,(long)THIS); return 0; } void names_destroy_socket(AN_local *) { aisc_remove_destroy_callback(); } ./arbsrc_9167/NAMES/Makefile0000644012664100000130000000267111440743000015441 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .c .depend OBJECTS = names.o $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) .cxx.o: $(CPP) $(cflags) -I/opt/gcc.3.4.3/include/c++/3.4.3/include -c $< $(CPPINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl names.o: names.h names.o: $(ARBHOME)/INCLUDE/ad_k_prot.h names.o: $(ARBHOME)/INCLUDE/ad_prot.h names.o: $(ARBHOME)/INCLUDE/aisc_func_types.h names.o: $(ARBHOME)/INCLUDE/arb_assert.h names.o: $(ARBHOME)/INCLUDE/arbdb.h names.o: $(ARBHOME)/INCLUDE/arbdb_base.h names.o: $(ARBHOME)/INCLUDE/attributes.h names.o: $(ARBHOME)/INCLUDE/client.h names.o: $(ARBHOME)/INCLUDE/names_client.h names.o: $(ARBHOME)/INCLUDE/names_prototypes.h names.o: $(ARBHOME)/INCLUDE/names_server.h names.o: $(ARBHOME)/INCLUDE/server.h names.o: $(ARBHOME)/INCLUDE/servercntrl.h names.o: $(ARBHOME)/INCLUDE/struct_man.h ./arbsrc_9167/NAMES/names.cxx0000644012664100000130000012221211440743000015622 0ustar arb_buildcoders#include #include #include #include #include #include #include #include "names.h" #include #include #include #include #include #include #include #include using namespace std; // -------------------------------------------------------------------------------- // overloaded functions to avoid problems with type-punning: inline long aisc_find_lib(dll_public *dll, char *key) { return aisc_find_lib(reinterpret_cast(dll), key); } inline void aisc_link(dll_public *dll, AN_shorts *shorts) { aisc_link(reinterpret_cast(dll), reinterpret_cast(shorts)); } inline void aisc_link(dll_public *dll, AN_revers *revers) { aisc_link(reinterpret_cast(dll), reinterpret_cast(revers)); } // -------------------------------------------------------------------------------- #if defined(DEBUG) // #define DUMP_NAME_CREATION #endif // DEBUG #define UPPERCASE(c) do{ (c) = toupper(c); }while(0) // -------------------------------------------------------------------------------- struct AN_gl_struct AN_global; AN_main *aisc_main; /* muss so heissen */ const int SERVER_VERSION = 5; // -------------------------------------------------------------------------------- inline char *an_strlwr(char *str) { for (int i = 0; str[i]; i++) { str[i] = tolower(str[i]); } return str; } inline int an_strnicmp(const char *s1, const char *s2, int len) { int cmp = 0; for (int i = 0; iprevers, key); free(key); return an_reverse; } static AN_shorts *lookup_an_shorts(AN_main *main, const char *identifier) { // 'identifier' is either '*acc*add_id' or 'name1*name2*S' (see get_short() for details) // 'add_id' is the value of an additional DB field and may be empty. char *key = an_strlwr(strdup(identifier)); AN_shorts *an_shorts = (AN_shorts*)aisc_find_lib(&main->pnames, key); free(key); return an_shorts; } // ---------------------------------------- // prefix hash static size_t an_shorts_elems(AN_shorts *sin) { size_t count = 0; while (sin) { sin = sin->next; count++; } return count; } #define PREFIXLEN 3 static GB_HASH *an_get_prefix_hash() { if (!aisc_main->prefix_hash) { AN_shorts *sin = aisc_main->shorts1; size_t elems = an_shorts_elems(sin); if (elems<100) elems = 100; GB_HASH *hash = GBS_create_hash(2*elems, GB_IGNORE_CASE); while (sin) { GBS_write_hash_no_strdup(hash, GB_strndup(sin->shrt, PREFIXLEN), (long)sin); sin = sin->next; } aisc_main->prefix_hash = (long)hash; } return (GB_HASH*)aisc_main->prefix_hash; } static const char *an_make_prefix(const char *str) { static char buf[] = "xxx"; buf[0] = str[0]; buf[1] = str[1]; buf[2] = str[2]; return buf; } static AN_shorts *an_find_shrt_prefix(const char *search) { return (AN_shorts*)GBS_read_hash(an_get_prefix_hash(), an_make_prefix(search)); } // ---------------------------------------- static void an_add_short(AN_local *locs, const char *new_name, const char *parsed_name, const char *parsed_sym, const char *shrt, const char *acc, const char *add_id) { AN_shorts *an_shorts; AN_revers *an_revers; char *full_name; locs = locs; if (strlen(parsed_sym)){ full_name = (char *)calloc(sizeof(char), strlen(parsed_name) + strlen(" sym")+1); sprintf(full_name,"%s sym",parsed_name); } else { full_name = strdup(parsed_name); } an_shorts = create_AN_shorts(); an_revers = create_AN_revers(); an_shorts->mh.ident = an_strlwr(strdup(new_name)); an_shorts->shrt = strdup(shrt); an_shorts->full_name = strdup(full_name); an_shorts->acc = strdup(acc); an_shorts->add_id = strdup(add_id); aisc_link(&aisc_main->pnames, an_shorts); an_revers->mh.ident = an_strlwr(strdup(shrt)); an_revers->full_name = full_name; an_revers->acc = strdup(acc); an_revers->add_id = strdup(add_id); aisc_link(&aisc_main->prevers, an_revers); GB_HASH *phash = an_get_prefix_hash(); GBS_write_hash(phash, an_make_prefix(an_shorts->shrt), (long)an_shorts); // add an_shorts to hash GBS_optimize_hash(phash); aisc_main->touched = 1; } static void an_remove_short(AN_shorts *an_shorts) { /* this should only be used to remove illegal entries from name-server. normally removing names does make problems - so use it very rarely */ GBS_write_hash(an_get_prefix_hash(), an_make_prefix(an_shorts->shrt), 0); // delete an_shorts from hash AN_revers *an_revers = lookup_an_revers(aisc_main, an_shorts->shrt); if (an_revers) { aisc_unlink((struct_dllheader_ext*)an_revers); free(an_revers->mh.ident); free(an_revers->full_name); free(an_revers->acc); free(an_revers); } aisc_unlink((struct_dllheader_ext*)an_shorts); free(an_shorts->mh.ident); free(an_shorts->shrt); free(an_shorts->full_name); free(an_shorts->acc); free(an_shorts); } static char *nas_string_2_key(const char *str) // converts any string to a valid key { #if defined(DUMP_NAME_CREATION) const char *org_str = str; #endif // DUMP_NAME_CREATION char buf[GB_KEY_LEN_MAX+1]; int i; int c; for (i=0;ishorts1); // otherwise prefix_hash does not work! if (full[0]==0) { return strdup("Xxx"); } char *result = 0; char *full1 = strdup(full); an_autocaps(full1); char *full2 = nas_string_2_key(full1); look = (AN_shorts *)aisc_find_lib((struct_dllpublic_ext*)parent, full2); if (look) { /* name is already known */ free(full2); free(full1); return strdup(look->shrt); } char *full3 = 0; char shrt[10]; int len2, len3; int p1, p2, p3; // try first three letters: strncpy(shrt,full2,3); UPPERCASE(shrt[0]); shrt[3] = 0; look = an_find_shrt_prefix(shrt); if (!look) { len2 = strlen(full2); an_complete_shrt(shrt, len2>=3 ? full2+3 : ""); goto found_short; } // generate names from first char + consonants: full3 = nas_remove_small_vocals(full2); len3 = strlen(full3); for (p1=1; p1<(len3-1); p1++) { shrt[1] = full3[p1]; for (p2=p1+1; p2mh.ident = strdup(full2); look->shrt = strdup(result); aisc_link((struct_dllpublic_ext*)parent,(struct_dllheader_ext*)look); aisc_main->touched = 1; } else { printf("ARB_name_server: Failed to make a short-name for '%s'\n", full); } free(full3); free(full2); free(full1); return strdup(result); } // -------------------------------------------------------------------------------- static const char *default_full_name = "No name"; class NameInformation { const char *full_name; char *parsed_name; char *parsed_sym; char *parsed_acc; char *parsed_add_id; char *first_name; char *rest_of_name; char *id; public: NameInformation(AN_local *locs); ~NameInformation(); const char *get_id() const { return id; } const char *get_full_name() const { return full_name; } const char *get_first_name() const { return first_name; } const char *get_rest_of_name() const { return rest_of_name; } void add_short(AN_local *locs, const char *shrt) const { if (strlen(parsed_name)>3) { an_add_short(locs, id, parsed_name, parsed_sym, shrt, parsed_acc, parsed_add_id); } } }; static bool stralnum(const char *str) { bool nonalnum = false; for (char c = *str++; c; c = *str++) { if (!isalnum(c)) { nonalnum = true; break; } } return !nonalnum; } static char *make_alnum(const char *str) { // returns a heap-copy containing all alphanumeric characters of 'str' char *newStr = (char*)malloc(strlen(str)+1); int n = 0; for (int p = 0; str[p]; ++p) { if (isalnum(str[p])) newStr[n++] = str[p]; } newStr[n] = 0; return newStr; } static char *make_alpha(const char *str) { // returns a heap-copy containing all alpha characters of 'str' char *newStr = (char*)malloc(strlen(str)+1); int n = 0; for (int p = 0; str[p]; ++p) { if (isalpha(str[p])) newStr[n++] = str[p]; } newStr[n] = 0; return newStr; } #if defined(DEBUG) #define assert_alnum(s) gb_assert(stralnum(s)) #else #define assert_alnum(s) #endif // DEBUG NameInformation::NameInformation(AN_local *locs) { full_name = locs->full_name; if (!full_name || !full_name[0]) full_name = default_full_name; parsed_name = GBS_string_eval(full_name, "\t= :\"= :'= :" // replace TABs and quotes by space "sp.=species:spec.=species:SP.=SPECIES:SPEC.=SPECIES:" // replace common abbreviations of 'species' ".= :" // replace dots by spaces " = :" // multiple spaces -> 1 space "* * *=*1 *2" // skip all beyond 2nd word ,0); an_autocaps(parsed_name); parsed_sym = GBS_string_eval(full_name, "\t= :* * *sym*=S",0); if (strlen(parsed_sym)>1) freedup(parsed_sym, ""); const char *add_id = locs->add_id[0] ? locs->add_id : aisc_main->add_field_default; parsed_acc = make_alnum(locs->acc); parsed_add_id = make_alnum(add_id); first_name = GBS_string_eval(parsed_name,"* *=*1",0); rest_of_name = make_alnum(parsed_name+strlen(first_name)); freeset(first_name, make_alnum(first_name)); assert_alnum(parsed_acc); assert_alnum(first_name); assert_alnum(rest_of_name); UPPERCASE(rest_of_name[0]); // build id id = (strlen(parsed_acc)+strlen(parsed_add_id)) ? GBS_global_string_copy("*%s*%s", parsed_acc, parsed_add_id) : GBS_global_string_copy("%s*%s*%s", first_name, rest_of_name, parsed_sym); } NameInformation::~NameInformation() { free(id); free(rest_of_name); free(first_name); free(parsed_add_id); free(parsed_acc); free(parsed_sym); free(parsed_name); } // -------------------------------------------------------------------------------- // AISC functions extern "C" int del_short(AN_local *locs) /* forget about a short name */ { NameInformation info(locs); int removed = 0; AN_shorts *an_shorts = lookup_an_shorts(aisc_main, info.get_id()); if (an_shorts) { an_remove_short(an_shorts); removed = 1; } return removed; } static GB_HASH *nameModHash = 0; // key = default name; value = max. counter tested extern "C" aisc_string get_short(AN_local *locs) /* get the short name from the previously set names */ { static char *shrt = 0; freeset(shrt, 0); NameInformation info(locs); AN_shorts *an_shorts = lookup_an_shorts(aisc_main, info.get_id()); if (an_shorts) { // we already have a short name bool recreate = false; if (!stralnum(an_shorts->shrt)) { // contains non-alphanumeric characters recreate = true; } else if (strcmp(an_shorts->full_name, default_full_name) == 0 && // fullname in name server is default_full_name strcmp(info.get_full_name(), an_shorts->full_name) != 0) // and differs from current { recreate = true; } if (recreate) { an_remove_short(an_shorts); an_shorts = 0; } else { shrt = strdup(an_shorts->shrt); } } if (!shrt) { /* now there is no short name (or an illegal one) */ char *first_advice=0,*second_advice=0; if (locs->advice[0] && !stralnum(locs->advice)) { // bad advice locs->advice[0] = 0; // delete it } if (locs->advice[0]) { char *advice = make_alpha(locs->advice); first_advice = strdup(advice); if (strlen(advice) > 3) { second_advice = strdup(advice+3); first_advice[3] = 0; } } if (!first_advice) first_advice = strdup("Xxx"); if (!second_advice) second_advice = strdup("Yyyyy"); char *first_short; int first_len; { const char *first_name = info.get_first_name(); first_short = first_name[0] ? an_get_short(aisc_main->shorts1, &(aisc_main->pshorts1), first_name) : strdup(first_advice); gb_assert(first_short); if (first_short[0] == 0) { // empty? freedup(first_short, "Xxx"); } first_len = strlen(first_short); } char *second_short = (char*)calloc(10, 1); int second_len; { const char *rest_of_name = info.get_rest_of_name(); int restlen = strlen(rest_of_name); if (!restlen) { rest_of_name = second_advice; restlen = strlen(rest_of_name); if (!restlen) { rest_of_name = "Yyyyy"; restlen = 5; } } second_short[0] = 0; if (restlen<5 && first_len>3) { strcpy(second_short, first_short+3); // take additional characters from first_short second_short[5-restlen] = 0; // but not too many } char *strend = strchr(second_short, 0); strncpy(strend, rest_of_name, 8); second_len = strlen(second_short); } if (first_len>3) { first_short[3] = 0; first_len = 3;; } int both_len = first_len+second_len; if (both_len<8) { freeset(second_short, GBS_global_string_copy("%s00000000", second_short)); second_len += 8; both_len += 8; } if (both_len>8) { second_len = 8-first_len; second_short[second_len] = 0; both_len = 8; } char test_short[9]; sprintf(test_short,"%s%s", first_short, second_short); gb_assert(size_t(both_len) == strlen(test_short)); gb_assert(second_len>=5 && second_len <= 8); if (lookup_an_revers(aisc_main, test_short)) { if (!nameModHash) nameModHash = GBS_create_hash(100, GB_IGNORE_CASE); char *test_short_dup = strdup(test_short); long count = GBS_read_hash(nameModHash, test_short); if (count<2) count = 2; // first name modification uses number 2 int printOffset = both_len; bool foundUnused = false; // first create alternate name with digits only { int digLimit[6] = { 0, 9, 99, 999, 9999, 99999 }; for (int digits = 1; !foundUnused && digits <= 5; ++digits) { int maxOffset = 8-digits; int limit = digLimit[digits]; if (printOffset>maxOffset) printOffset = maxOffset; char *printAt = test_short+printOffset; for (; !foundUnused && count <= limit; ++count) { IF_DEBUG(int printed =) sprintf(printAt, "%li", count); gb_assert((printed+printOffset) <= 8); if (!lookup_an_revers(aisc_main, test_short)) foundUnused = true; // name does not exist } } } // if no unused name found, create one with alpha-chars if (!foundUnused) { strcpy(test_short, test_short_dup); long count2 = count-100000; // 100000 numbers were used above char *printAt = test_short+3; const char *base36 = "0123456789abcdefghijklmnopqrstuvwxyz"; printAt[5] = 0; for (; !foundUnused && count2<16796160; ++count2) { // 16796160 = 36^4*10 // now print count2 converted to base 36 int c = count2; for (int pos = 0; pos<5; ++pos) { int nextc = c/36; int rest = c-36*nextc; printAt[4-pos] = base36[rest]; c = nextc; gb_assert(pos != 4 || c == 0); } if (!lookup_an_revers(aisc_main, test_short)) foundUnused = true; // name does not exist } count = count2+100000; } gb_assert(foundUnused); GBS_write_hash(nameModHash, test_short_dup, count); GBS_optimize_hash(nameModHash); free(test_short_dup); } assert_alnum(test_short); shrt = strdup(test_short); info.add_short(locs, shrt); free(first_short); free(second_short); free(first_advice); free(second_advice); } assert_alnum(shrt); return shrt; } extern "C" int server_save(AN_main *main, int dummy) { FILE *file; int error; char *sec_name; dummy = dummy; if (main->touched) { int server_date = GB_time_of_file(main->server_file); if (server_date>main->server_filedate) { printf("Another nameserver changed '%s' - your changes are lost.\n", main->server_file); } else { sec_name = (char *)calloc(sizeof(char), strlen(main->server_file)+2); sprintf(sec_name,"%s%%", main->server_file); printf("Saving '%s'..\n", main->server_file); file = fopen(sec_name,"w"); if (!file) { fprintf(stderr,"ERROR cannot save file '%s'\n",sec_name); } else { error = save_AN_main(main,file); fclose(file); if (!error) { if (GB_rename_file(sec_name, main->server_file)) { GB_print_error(); } else { main->touched = 0; } } } free(sec_name); main->server_filedate = GB_time_of_file(main->server_file); } } else { printf("No changes to ARB_name_server data.\n"); } return 0; } #if defined(DEBUG) && 0 static void check_list(AN_shorts *start) { int count = 0; while (++count) { start = start->next; if (!start) { fprintf(stderr, "\n", count); return; } } fprintf(stderr, "\n"); gb_assert(0); } #endif // DEBUG static void check_for_case_error(AN_main *main) { // test for duplicated names or name parts (only differing in case) // such names were created by old name server versions bool case_error_occurred = false; int idents_changed = 0; // first check name parts for (AN_shorts *shrt = main->shorts1; shrt; ) { AN_shorts *next = shrt->next; AN_shorts *found = an_find_shrt_prefix(shrt->shrt); if (found != shrt) { fprintf(stderr, "- Correcting error in name-database: '%s' equals '%s'\n", found->shrt, shrt->shrt); an_remove_short(shrt); case_error_occurred = true; } shrt = next; } // then check full short-names for (AN_shorts *shrt = main->names; shrt; ) { AN_shorts *next = shrt->next; AN_revers *found = lookup_an_revers(main, shrt->shrt); if (found && (shrt->acc && found->acc && an_stricmp(shrt->acc, found->acc) != 0)) { fprintf(stderr, "- Correcting error in name-database: '%s' equals '%s' (but acc differs)\n", found->mh.ident, shrt->shrt); an_remove_short(shrt); case_error_occurred = true; } else if (found && (shrt->add_id && found->add_id && an_stricmp(shrt->add_id, found->add_id) != 0)) { fprintf(stderr, "- Correcting error in name-database: '%s' equals '%s' (but add_id differs)\n", found->mh.ident, shrt->shrt); an_remove_short(shrt); case_error_occurred = true; } else { AN_shorts *self_find = lookup_an_shorts(main, shrt->mh.ident); if (!self_find) { // stored with wrong key (not lowercase) aisc_unlink((struct_dllheader_ext*)shrt); an_strlwr(shrt->mh.ident); aisc_link(&main->pnames, shrt); main->touched = 1; case_error_occurred = true; idents_changed++; } else if (self_find != shrt) { fprintf(stderr, "- Correcting error in name-database: '%s' equals '%s' (case-difference in full_name or acc)\n", shrt->mh.ident, self_find->mh.ident); an_remove_short(shrt); case_error_occurred = true; } } shrt = next; } if (case_error_occurred) { int regen_name_parts = 0; int deleted_names = 0; // now capitalize all name parts { list idents_to_recreate; for (AN_shorts *shrt = main->shorts1; shrt; ) { char *cap_name = strdup(shrt->shrt); an_autocaps(cap_name); if (strcmp(cap_name, shrt->shrt) != 0) { idents_to_recreate.push_back(shrt->mh.ident); } free(cap_name); AN_shorts *next = shrt->next; an_remove_short(shrt); shrt = next; } list::const_iterator end = idents_to_recreate.end(); for (list::const_iterator i = idents_to_recreate.begin(); i != end; ++i) { const char *ident = i->c_str(); an_get_short(main->shorts1, &(main->pshorts1), ident); regen_name_parts++; } } // now capitalize all short names for (AN_shorts *shrt = main->names; shrt; ) { AN_shorts *next = shrt->next; char *cap_name = strdup(shrt->shrt); an_autocaps(cap_name); if (strcmp(cap_name, shrt->shrt) != 0) { // fprintf(stderr, "Deleting entry '%s'\n", shrt->shrt); an_remove_short(shrt); deleted_names++; } shrt = next; free(cap_name); } if (idents_changed) fprintf(stderr, "* Changed case of %i identifiers.\n", idents_changed); if (regen_name_parts) fprintf(stderr, "* Regenerated %i prefix names.\n", regen_name_parts); if (deleted_names) fprintf(stderr, "* Removed %i names with wrong case.\n" "=> This leads to name changes when generating new names (which is recommended now).\n", deleted_names); } } static void check_for_illegal_chars(AN_main *main) { // test for names containing illegal characters int illegal_names = 0; // first check name parts for (AN_shorts *shrt = main->shorts1; shrt; ) { AN_shorts *next = shrt->next; if (!stralnum(shrt->shrt)) { fprintf(stderr, "- Fixing illegal chars in '%s'\n", shrt->shrt); an_remove_short(shrt); illegal_names++; } shrt = next; } // then check full short-names for (AN_shorts *shrt = main->names; shrt; ) { AN_shorts *next = shrt->next; if (!stralnum(shrt->shrt)) { fprintf(stderr, "- Fixing illegal chars in '%s'\n", shrt->shrt); an_remove_short(shrt); illegal_names++; } shrt = next; } if (illegal_names>0) { fprintf(stderr, "* Removed %i names containing illegal characters.\n" "=> This leads to name changes when generating new names (which is recommended now).\n", illegal_names); } } static void set_empty_addids(AN_main *main) { // fill all empty add.ids with default value if (main->add_field_default[0]) { // if we use a non-empty default, old entries need to be changed // (empty default was old behavior) long count = 0; for (AN_shorts *shrt = main->names; shrt; ) { AN_shorts *next = shrt->next; if (!shrt->add_id[0]) { aisc_unlink((struct_dllheader_ext*)shrt); freedup(shrt->add_id, main->add_field_default); gb_assert(strchr(shrt->mh.ident, 0)[-1] == '*'); freeset(shrt->mh.ident, GBS_global_string_copy("%s%s", shrt->mh.ident, main->add_field_default)); aisc_link(&main->pnames, shrt); count++; } shrt = next; } if (count>0) { printf(" Filled in default value '%s' for %li names\n", main->add_field_default, count); main->touched = 1; } } } static GB_ERROR server_load(AN_main *main) { FILE *file; GB_ERROR error = 0; AN_shorts *shrt; AN_revers *revers; fprintf(stderr, "Starting ARB_name_server..\n"); file = fopen(main->server_file,"r"); if (!file) { error = GBS_global_string("No such file '%s'", main->server_file); } else { fprintf(stderr, "* Loading %s\n", main->server_file); int err_code = load_AN_main(main,file); if (err_code) { error = GBS_global_string("Error #%i while loading '%s'", err_code, main->server_file); } } if (!error) { fprintf(stderr, "* Parsing data\n"); long nameCount = 0; for (shrt = main->names; shrt; shrt = shrt->next) { revers = create_AN_revers(); revers->mh.ident = an_strlwr(strdup(shrt->shrt)); revers->full_name = strdup(shrt->full_name); revers->acc = strdup(shrt->acc); revers->add_id = shrt->add_id ? strdup(shrt->add_id) : 0; aisc_link(&main->prevers, revers); nameCount++; } int namesDBversion = main->dbversion; // version used to save names.dat fprintf(stderr, "* Loaded NAMEDB v%i (contains %li names)\n", namesDBversion, nameCount); if (namesDBversion < SERVER_VERSION) { if (namesDBversion<4) { fprintf(stderr, "* Checking for case-errors\n"); check_for_case_error(main); fprintf(stderr, "* Checking for illegal characters\n"); check_for_illegal_chars(main); } fprintf(stderr, "* NAMEDB version upgrade %i -> %i\n", namesDBversion, SERVER_VERSION); main->dbversion = SERVER_VERSION; main->touched = 1; // force save } if (namesDBversion > SERVER_VERSION) { error = GBS_global_string("NAMEDB is from version %i, but your nameserver can only handle version %i", namesDBversion, SERVER_VERSION); } else { fprintf(stderr, "ARB_name_server is up.\n"); main->server_filedate = GB_time_of_file(main->server_file); } } else { main->server_filedate = -1; } return error; } void names_server_shutdown(int exitcode) __ATTR__NORETURN; void names_server_shutdown(int exitcode) { aisc_server_shutdown_and_exit(AN_global.server_communication, exitcode); // never returns } int names_server_save(void) { server_save(aisc_main, 0); return 0; } extern "C" int server_shutdown(AN_main *pm, aisc_string passwd){ /** passwdcheck **/ if( strcmp(passwd, "ldfiojkherjkh") ) return 1; printf("\narb_name_server: I got the shutdown message.\n"); /** shoot clients **/ aisc_broadcast(AN_global.server_communication, 0, "SERVER SHUTDOWN BY ADMINISTRATOR!\n"); /** shutdown **/ printf("ARB_name_server: server shutdown by administrator\n"); names_server_shutdown(0); // never returns! pm = pm; return 0; } static void usage(const char *exeName, const char *err) __ATTR__NORETURN; static void usage(const char *exeName, const char *err) { printf("ARB nameserver v%i\n" "Usage: %s command server-parameters\n" "command = -boot\n" " -kill\n" " -look\n" , SERVER_VERSION, exeName); arb_print_server_params(); if (err) printf("Error: %s\n", err); exit(-1); } int main(int argc,char **argv) { char *name; int i; struct Hs_struct *so; struct arb_params *params; params = arb_trace_argv(&argc,argv); const char *executable = argv[0]; if (!params->default_file) usage(executable, "Missing default file"); if (argc==1) { // default command is '-look' char flag[]="-look"; argv[1] = flag; argc = 2; } if (argc!=2) usage(executable, "Too many parameters"); aisc_main = create_AN_main(); /***** try to open com with any other pb server ******/ if (params->tcp) { name = params->tcp; } else { const char *cname = GBS_read_arb_tcp("ARB_NAME_SERVER"); if (!cname) { GB_print_error(); exit(-1); } name = strdup(cname); } AN_global.cl_link = (aisc_com *)aisc_open(name, (long *)&AN_global.cl_main,AISC_MAGIC_NUMBER); if (AN_global.cl_link) { if( !strcmp(argv[1],"-look")) { printf("ARB_name_server: No client - terminating.\n"); aisc_close(AN_global.cl_link);AN_global.cl_link = 0; exit(0); } printf("There is another active nameserver. I try to kill it..\n"); aisc_nput(AN_global.cl_link, AN_MAIN, AN_global.cl_main, MAIN_SHUTDOWN, "ldfiojkherjkh", NULL); aisc_close(AN_global.cl_link);AN_global.cl_link=0; sleep(1); } if( ((strcmp(argv[1],"-kill")==0)) || ((argc==3) && (strcmp(argv[2],"-kill")==0))){ printf("ARB_name_server: Now I kill myself!\n"); exit(0); } for (i=0, so=0; (iserver_file = strdup(params->default_file); aisc_main->server_filedate = GB_time_of_file(aisc_main->server_file); GB_ERROR error = server_load(aisc_main); if (!error) { const char *field = params->field; const char *field_default = params->field_default; if (field == 0) { field = ""; // default to no field field_default = ""; } else { if (!params->field_default) { error = GBS_global_string("Missing default value for add.field (option has to be -f%s=defaultValue)", field); } } if (!error) { if (aisc_main->add_field == 0) { // add. field was not defined yet if (field[0]) { printf("* add. field not defined yet -> using '%s'\n", field); } else { fputs("* using no add. field\n", stdout); } aisc_main->add_field = strdup(field); aisc_main->touched = 1; } else { if (strcmp(aisc_main->add_field, field) != 0) { // add. field changed if (aisc_main->add_field[0]) { error = GBS_global_string("This names-DB has to be started with -f%s", aisc_main->add_field); } else { error = "This names-DB has to be started w/o -f option"; } } } } if (!error) { char *field_default_alnum = make_alnum(field_default); if (aisc_main->add_field_default == 0) { // previously no default was defined for add.field reassign(aisc_main->add_field_default, field_default_alnum); set_empty_addids(aisc_main); aisc_main->touched = 1; } else { if (strcmp(aisc_main->add_field_default, field_default_alnum) != 0) { error = GBS_global_string("Default for add.field previously was '%s' (called with '%s')\n" "If you really need to change this - delete the names DB", aisc_main->add_field_default, field_default_alnum); } } free(field_default_alnum); } } long accept_calls_init = NAME_SERVER_TIMEOUT/long(NAME_SERVER_SLEEP); long accept_calls = accept_calls_init; bool isTimeout = true; if (!error && aisc_main->touched) server_save(aisc_main, 0); while (!error && accept_calls>0) { aisc_accept_calls(so); if (aisc_main->ploc_st.cnt <=0) { // timeout passed and no clients accept_calls--; long server_date = GB_time_of_file(aisc_main->server_file); if (server_date == 0 && aisc_main->server_filedate != 0) { fprintf(stderr, "ARB_name_server data has been deleted.\n"); accept_calls = 0; isTimeout = false; } if (server_date>aisc_main->server_filedate) { fprintf(stderr, "ARB_name_server data changed on disc.\n"); accept_calls = 0; isTimeout = false; } else if (aisc_main->touched) { server_save(aisc_main,0); accept_calls = accept_calls_init; } } else { // got a client accept_calls = accept_calls_init; } } if (error) { char *message = GBS_global_string_copy("Error in ARB_name_server: %s", error); char *send = GBS_global_string_copy("arb_message \"%s\" &", message); // send async (otherwise deadlock!) fprintf(stderr, "%s\n", message); if (system(send) != 0) fprintf(stderr, "Failed to send error message to ARB\n"); free(send); free(message); } else if (accept_calls == 0) { if (isTimeout) { fprintf(stderr, "Been idle for %i minutes.\n", int(NAME_SERVER_TIMEOUT/60)); } } printf("ARB_name_server terminating...\n"); if (nameModHash) GBS_free_hash(nameModHash); names_server_shutdown(error ? EXIT_FAILURE : EXIT_SUCCESS); // never returns } ./arbsrc_9167/NAMES/names.h0000644012664100000130000000124511440743000015251 0ustar arb_buildcoders #define MAX_TRY 20 #define RETRY_SLEEP 3 // in seconds // Lifetime of nameserver in seconds #if defined(DEBUG) #define NAME_SERVER_TIMEOUT (1*60) // 1 minute (for debugging) #else // #define NAME_SERVER_TIMEOUT (15*60) // 15 minutes #define NAME_SERVER_TIMEOUT (2*60) // 2 minutes (see http://bugs.arb-home.de/ticket/192 why) #endif // DEBUG // Sleeptime of nameserver in seconds #define NAME_SERVER_SLEEP 5 struct Hs_struct; struct AN_gl_struct { aisc_com *cl_link; struct Hs_struct *server_communication; T_AN_MAIN cl_main; char *server_name; }; extern struct AN_gl_struct AN_global; extern AN_main *aisc_main; ./arbsrc_9167/NTREE/ad_ali.cxx0000644012664100000130000002573511440743000015756 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include #include #include extern GBDATA *GLOBAL_gb_main; void alignment_vars_callback(AW_root *aw_root) { GB_push_transaction(GLOBAL_gb_main); char *use = aw_root->awar("presets/use")->read_string(); GBDATA *ali_cont = GBT_get_alignment(GLOBAL_gb_main,use); if (!ali_cont) { aw_root->awar("presets/alignment_name")->unmap(); aw_root->awar("presets/alignment_type")->unmap(); aw_root->awar("presets/alignment_len")->unmap(); aw_root->awar("presets/alignment_rem")->unmap(); aw_root->awar("presets/aligned")->unmap(); aw_root->awar("presets/auto_format")->unmap(); aw_root->awar("presets/security")->unmap(); }else{ GBDATA *ali_name = GB_search(ali_cont, "alignment_name", GB_STRING); GBDATA *ali_len = GB_search(ali_cont, "alignment_len", GB_INT ); GBDATA *ali_aligned = GB_search(ali_cont, "aligned", GB_INT ); GBDATA *ali_auto_format = GB_search(ali_cont, "auto_format", GB_INT ); GBDATA *ali_type = GB_search(ali_cont, "alignment_type", GB_STRING); GBDATA *ali_security = GB_search(ali_cont, "alignment_write_security", GB_INT ); GBDATA *ali_rem = GB_search(ali_cont, "alignment_rem", GB_STRING); aw_root->awar("presets/alignment_name")->map(ali_name); aw_root->awar("presets/alignment_type")->map(ali_type); aw_root->awar("presets/alignment_len") ->map(ali_len); aw_root->awar("presets/alignment_rem") ->map(ali_rem); aw_root->awar("presets/aligned") ->map(ali_aligned); aw_root->awar("presets/auto_format") ->map(ali_auto_format); aw_root->awar("presets/security") ->map(ali_security); } GB_pop_transaction(GLOBAL_gb_main); free(use); } void NT_create_alignment_vars(AW_root *aw_root,AW_default aw_def) { aw_root->awar_string( "presets/use", "" , aw_def); GB_push_transaction(GLOBAL_gb_main); GBDATA *use = GB_search(GLOBAL_gb_main,"presets/use",GB_STRING); aw_root->awar("presets/use")->map(use); aw_root->awar_string( "presets/alignment_name", "" , aw_def) ->set_srt( GBT_ALI_AWAR_SRT); aw_root->awar_string( "presets/alignment_dest", "" , aw_def) ->set_srt( GBT_ALI_AWAR_SRT); aw_root->awar_string( "presets/alignment_type", "", aw_def); aw_root->awar_string( "presets/alignment_rem" ); aw_root->awar_int( "presets/alignment_len", 0, aw_def); aw_root->awar_int( "presets/aligned", 0, aw_def); aw_root->awar_int( "presets/auto_format", 0, aw_def); aw_root->awar_int( "presets/security", 0, aw_def); aw_root->awar("presets/use")->add_callback( alignment_vars_callback); alignment_vars_callback(aw_root); GB_pop_transaction(GLOBAL_gb_main); } void ad_al_delete_cb(AW_window *aww) { if (aw_ask_sure("Are you sure to delete all data belonging to this alignment")) { char *source = aww->get_root()->awar("presets/use")->read_string(); GB_transaction ta(GLOBAL_gb_main); GB_ERROR error = GBT_rename_alignment(GLOBAL_gb_main,source,0,0,1); if (error) { error = ta.close(error); aw_message(error); } free(source); } } void ed_al_check_auto_format(AW_window *aww) { AW_root *awr = aww->get_root(); char *use = awr->awar("presets/use")->read_string(); if (strcmp(use, "ali_genom") == 0) { awr->awar("presets/auto_format")->write_int(2); // ali_genom is always forced to "skip" } } void ed_al_check_len_cb(AW_window *aww) { char *error = 0; char *use = aww->get_root()->awar("presets/use")->read_string(); GB_begin_transaction(GLOBAL_gb_main); if (!error) error = (char *)GBT_check_data(GLOBAL_gb_main,use); GB_commit_transaction(GLOBAL_gb_main); if (error) aw_message(error); free(use); } void ed_al_export_sec_cb(AW_window *aww) { aw_message("This Function is not implemented,\nPlease press 'CHECK' to do this"); AWUSE(aww); } void ed_al_align_cb(AW_window *aww) { char *use = aww->get_root()->awar("presets/use")->read_string(); GB_begin_transaction(GLOBAL_gb_main); GB_ERROR err = GBT_format_alignment(GLOBAL_gb_main, use); GB_commit_transaction(GLOBAL_gb_main); if (err) aw_message(err); free(use); ed_al_check_len_cb(aww); } void aa_copy_delete_rename(AW_window *aww,AW_CL copy, AW_CL dele) { char *source = aww->get_root()->awar("presets/use")->read_string(); char *dest = aww->get_root()->awar("presets/alignment_dest")->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) error = GBT_rename_alignment(GLOBAL_gb_main,source,dest,(int)copy,(int)dele); if (!error) { char *nfield = GBS_global_string_copy("%s/data",dest); error = GBT_add_new_changekey( GLOBAL_gb_main,nfield,GB_STRING); free(nfield); } error = GB_end_transaction(GLOBAL_gb_main, error); aww->hide_or_notify(error); free(source); free(dest); } AW_window *create_alignment_copy_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "COPY_ALIGNMENT", "ALIGNMENT COPY"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the alignment"); aws->at("input"); aws->create_input_field("presets/alignment_dest",15); aws->at("ok"); aws->callback(aa_copy_delete_rename,1,0); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *create_alignment_rename_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "RENAME_ALIGNMENT", "ALIGNMENT RENAME" ); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new alignment"); aws->at("input"); aws->create_input_field("presets/alignment_dest",15); aws->at("ok"); aws->callback(aa_copy_delete_rename,1,1); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void aa_create_alignment(AW_window *aww) { GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { char *name = aww->get_root()->awar("presets/alignment_dest")->read_string(); GBDATA *gb_alignment = GBT_create_alignment(GLOBAL_gb_main,name,0,0,0,"dna"); if (!gb_alignment) error = GB_await_error(); else { char *nfield = GBS_global_string_copy("%s/data",name); error = GBT_add_new_changekey( GLOBAL_gb_main,nfield,GB_STRING); free(nfield); } free(name); } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); } AW_window *create_alignment_create_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "CREATE_ALIGNMENT", "ALIGNMENT CREATE"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the alignment"); aws->at("input"); aws->create_input_field("presets/alignment_dest",15); aws->at("ok"); aws->callback(aa_create_alignment); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *NT_create_alignment_window(AW_root *root, AW_CL popmedown) { // if popmedown points to a window, that window is popped down static AW_window_simple *aws = 0; AW_window *aw_popmedown = (AW_window*)popmedown; if (aw_popmedown) aw_popmedown->hide(); if (aws) return aws; // do not duplicate aws = new AW_window_simple; aws->init( root, "INFO_OF_ALIGNMENT", "ALIGNMENT INFORMATION"); aws->load_xfig("ad_align.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"ad_align.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->button_length(13); aws->at("delete"); aws->callback(ad_al_delete_cb); aws->create_button("DELETE","DELETE","D"); aws->at("rename"); aws->callback(AW_POPUP,(AW_CL)create_alignment_rename_window,0); aws->create_button("RENAME","RENAME","R"); aws->at("create"); aws->callback(AW_POPUP,(AW_CL)create_alignment_create_window,0); aws->create_button("CREATE","CREATE","N"); aws->at("copy"); aws->callback(AW_POPUP,(AW_CL)create_alignment_copy_window,0); aws->create_button("COPY","COPY","C"); aws->at("check_len"); aws->callback(ed_al_check_len_cb); aws->create_button("CHECK_LEN","CHECK LEN","L"); aws->at("align"); aws->callback(ed_al_align_cb); aws->create_button("FORMAT","FORMAT","F"); aws->at("list"); awt_create_selection_list_on_ad(GLOBAL_gb_main,(AW_window *)aws,"presets/use","*="); aws->at("aligned"); aws->create_option_menu("presets/aligned"); aws->callback(ed_al_check_len_cb); aws->insert_default_option("not formatted","n",0); aws->callback(ed_al_align_cb); aws->insert_option("formatted","j",1); aws->update_option_menu(); aws->at("auto_format"); aws->create_option_menu("presets/auto_format"); aws->callback(ed_al_check_auto_format); aws->insert_default_option("ask","a",0); aws->callback(ed_al_check_auto_format); aws->insert_option("always","",1); aws->callback(ed_al_check_auto_format); aws->insert_option("never","",2); aws->update_option_menu(); aws->at("len"); aws->create_input_field("presets/alignment_len",7); aws->at("type"); aws->create_option_menu("presets/alignment_type"); aws->insert_option("dna","d","dna"); aws->insert_option("rna","r","rna"); aws->insert_option("pro","p","ami"); aws->insert_default_option("???","?","usr"); aws->update_option_menu(); aws->at("security"); aws->create_option_menu("presets/security"); aws->callback(ed_al_check_len_cb); aws->insert_option("0","0",0); aws->callback(ed_al_check_len_cb); aws->insert_option("1","1",1); aws->callback(ed_al_check_len_cb); aws->insert_option("2","2",2); aws->callback(ed_al_check_len_cb); aws->insert_option("3","3",3); aws->callback(ed_al_check_len_cb); aws->insert_option("4","4",4); aws->callback(ed_al_check_len_cb); aws->insert_option("5","5",5); aws->callback(ed_al_check_len_cb); aws->insert_default_option("6","6",6); aws->update_option_menu(); aws->at("rem"); aws->create_text_field("presets/alignment_rem"); return (AW_window *)aws; } ./arbsrc_9167/NTREE/ad_ext.cxx0000644012664100000130000002746311440743000016011 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include #include #include #include #include #include #ifndef ARB_ASSERT_H #include #endif #define nt_assert(bed) arb_assert(bed) extern GBDATA *GLOBAL_gb_main; static void rename_SAI_cb(AW_window *aww) { AW_awar *awar_sai = aww->get_root()->awar(AWAR_SAI_NAME); char *sai_name = awar_sai->read_string(); GB_ERROR error = 0; if (!sai_name || !sai_name[0]) error = "Select SAI to rename"; else { char *new_name = aw_input("Rename SAI", "Enter new name of SAI", sai_name); if (new_name && new_name[0]) { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_main, sai_name); if (!gb_sai) error = GBS_global_string("can't find SAI '%s'", sai_name); else { GBDATA *gb_dest_exists = GBT_find_SAI(GLOBAL_gb_main, new_name); if (gb_dest_exists) error = GBS_global_string("There is already a SAI named '%s'", new_name); else { error = GBT_write_string(gb_sai, "name", new_name); if (!error) awar_sai->write_string(new_name); } } } error = GB_end_transaction(GLOBAL_gb_main, error); } free(new_name); } free(sai_name); if (error) aw_message(error); } static void copy_SAI_cb(AW_window *aww) { AW_awar *awar_sai = aww->get_root()->awar(AWAR_SAI_NAME); char *source_name = awar_sai->read_string(); GB_ERROR error = 0; if (!source_name || !source_name[0]) error = "Select SAI to duplicate"; else { char *dest_name = aw_input("Copy SAI", "Enter name of new SAI", source_name); if (dest_name && dest_name[0]) { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_sai_data = GBT_get_SAI_data(GLOBAL_gb_main); GBDATA *gb_source = GBT_find_SAI_rel_SAI_data(gb_sai_data, source_name); if (!gb_source) error = GBS_global_string("can't find SAI '%s'", source_name); else { GBDATA *gb_dest_exists = GBT_find_SAI_rel_SAI_data(gb_sai_data, dest_name); if (gb_dest_exists) error = GBS_global_string("There is already a SAI named '%s'", dest_name); else { GBDATA *gb_dest = GB_create_container(gb_sai_data, "extended"); if (!gb_dest) error = GB_await_error(); else { error = GB_copy(gb_dest, gb_source); if (!error) { error = GBT_write_string(gb_dest, "name", dest_name); if (!error) awar_sai->write_string(dest_name); } } } } } error = GB_end_transaction(GLOBAL_gb_main, error); } free(dest_name); } free(source_name); if (error) aw_message(error); } static void copy_SAI_to_species_cb(AW_window *aww) { AW_root *aw_root = aww->get_root(); char *sai_name = aw_root->awar(AWAR_SAI_NAME)->read_string(); GB_ERROR error = 0; if (!sai_name || !sai_name[0]) error = "No SAI selected"; else { char *species_name = aw_input("Copy SAI to species", "Enter target species name:", sai_name); if (species_name && species_name[0]) { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_species_data = GBT_get_species_data(GLOBAL_gb_main); GBDATA *gb_dest = GBT_find_species_rel_species_data(gb_species_data, species_name); if (gb_dest) error = GBS_global_string("Species '%s' already exists", species_name); else { GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_main, sai_name); if (!gb_sai) error = GBS_global_string("SAI '%s' not found", sai_name); else { gb_dest = GB_create_container(gb_species_data, "species"); if (!gb_dest) error = GB_await_error(); else { error = GB_copy(gb_dest, gb_sai); if (!error) { error = GBT_write_string(gb_dest, "name", species_name); if (!error) aw_root->awar(AWAR_SPECIES_NAME)->write_string(species_name); } } } } } error = GB_end_transaction(GLOBAL_gb_main, error); } free(species_name); } free(sai_name); if (error) aw_message(error); } static void delete_SAI_cb(AW_window *aww) { char *sai_name = aww->get_root()->awar(AWAR_SAI_NAME)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_main,sai_name); error = gb_sai ? GB_delete(gb_sai) : "Please select a SAI"; } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(sai_name); } static void map_SAI_to_scanner(AW_root *aw_root, AW_CL scannerid) { GB_transaction ta(GLOBAL_gb_main); char *sai_name = aw_root->awar(AWAR_SAI_NAME)->read_string(); GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_main, sai_name); awt_map_arbdb_scanner(scannerid, gb_sai, 0, CHANGE_KEY_PATH); free(sai_name); } static void edit_SAI_description(AW_window *aww) { AW_root *awr = aww->get_root(); char *sai_name = awr->awar(AWAR_SAI_NAME)->read_string(); GB_ERROR error = 0; if (!sai_name || !sai_name[0]) error = "No SAI selected"; else { GBDATA *gb_ali = 0; char *type = 0; { GB_transaction ta(GLOBAL_gb_main); GBDATA *gb_sai = GBT_find_SAI(GLOBAL_gb_main, sai_name); if (!gb_sai) error = GBS_global_string("SAI '%s' not found", sai_name); else { char *ali_name = GBT_get_default_alignment(GLOBAL_gb_main); gb_ali = GB_entry(gb_sai, ali_name); if (!gb_ali) error = GBS_global_string("SAI '%s' has no data in alignment '%s'", sai_name, ali_name); else { GB_clear_error(); type = GBT_read_string(gb_ali, "_TYPE"); if (!type) error = GB_await_error(); } } error = ta.close(error); } if (!error) { nt_assert(gb_ali); char *new_type = aw_input("Change SAI description", type); if (new_type) { GB_transaction t2(GLOBAL_gb_main); if (new_type[0]) { error = GBT_write_string(gb_ali, "_TYPE", new_type); } else { // empty description -> delete GBDATA *gb_type = GB_entry(gb_ali, "_TYPE"); if (gb_type) error = GB_delete(gb_type); } error = t2.close(error); free(new_type); } } free(type); } if (error) aw_message(error); } static char *getExistingSAIgroups() { // scan SAIs for existing groups. // return a string of ';'-separated group names (or NULL) GB_HASH *groups = GBS_create_hash(30, GB_MIND_CASE); GBS_strstruct *out = GBS_stropen(1000); int count = 0; GB_transaction ta(GLOBAL_gb_main); for (GBDATA *gb_sai = GBT_first_SAI(GLOBAL_gb_main); gb_sai; gb_sai = GBT_next_SAI(gb_sai)) { const char *group = GBT_read_char_pntr(gb_sai, "sai_group"); if (group && !GBS_read_hash(groups, group)) { GBS_strcat(out, group); GBS_chrcat(out, ';'); GBS_write_hash(groups, group, 1); count++; } } char *result = 0; if (count>0) { GBS_str_cut_tail(out, 1); // truncate final ';' result = GBS_strclose(out); } else { GBS_strforget(out); } GBS_free_hash(groups); return result; } static void assign_SAI_to_group(AW_window *aww) { AW_root *awr = aww->get_root(); char *sai_name = awr->awar(AWAR_SAI_NAME)->read_string(); GB_ERROR error = 0; if (!sai_name || !sai_name[0]) error = "No SAI selected"; else { GBDATA *gb_sai; { GB_transaction ta(GLOBAL_gb_main); gb_sai = GBT_find_SAI(GLOBAL_gb_main, sai_name); } if (!gb_sai) error = GBS_global_string("SAI '%s' not found", sai_name); else { bool has_group = true; const char *group = GBT_read_char_pntr(gb_sai, "sai_group"); if (!group) { group = "default_group"; has_group = false; } char *new_group; { char *existingGroups = getExistingSAIgroups(); if (existingGroups) { new_group = aw_string_selection("Assign SAI to group", "Enter group name:", group, existingGroups, NULL, NULL); free(existingGroups); } else { new_group = aw_input("Assign SAI to group", "Enter group name:", group); } } if (new_group) { GB_transaction t2(GLOBAL_gb_main); if (new_group[0]) error = GBT_write_string(gb_sai, "sai_group", new_group); else if (has_group) { GBDATA *gb_group = GB_entry(gb_sai, "sai_group"); if (gb_group) error = GB_delete(gb_group); } } } } if (error) aw_message(error); free(sai_name); } AW_window *NT_create_extendeds_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init( aw_root, "INFO_OF_SAI", "SAI INFORMATION"); aws->load_xfig("ad_ext.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"ad_extended.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->button_length(13); aws->at("delete"); aws->callback(delete_SAI_cb); aws->create_button("DELETE","DELETE","D"); aws->at("rename"); aws->callback(rename_SAI_cb); aws->create_button("RENAME","RENAME","R"); aws->at("copy"); aws->callback(copy_SAI_cb); aws->create_button("COPY","COPY","C"); aws->at("remark"); aws->callback(edit_SAI_description); aws->create_button("EDIT_COMMENT","EDIT COMMENT","R"); aws->at("group"); aws->callback(assign_SAI_to_group); aws->create_button("ASSIGN_GROUP","ASSIGN GROUP","R"); aws->at("makespec"); aws->callback(copy_SAI_to_species_cb); aws->create_button("COPY_TO_SPECIES","COPY TO\nSPECIES","C"); aws->at("list"); awt_create_selection_list_on_extendeds(GLOBAL_gb_main,(AW_window *)aws,AWAR_SAI_NAME); AW_CL scannerid = awt_create_arbdb_scanner(GLOBAL_gb_main, aws, "info",0,0,0,AWT_SCANNER,0,0,0, &AWT_species_selector); aws->get_root()->awar(AWAR_SAI_NAME)->add_callback(map_SAI_to_scanner, scannerid); } aws->show(); return aws; } ./arbsrc_9167/NTREE/ad_fields.cxx0000644012664100000130000001150511440743000016445 0ustar arb_buildcoders#include #include #include #include #include #include #include extern GBDATA *GLOBAL_gb_main; void fields_vars_callback(AW_root *aw_root) { GB_push_transaction(gb_main); char *use = aw_root->awar("tmp/fields/use")->read_string(); GBDATA *ali_cont = GBT_get_fields(gb_main,use); if (!ali_cont) { aw_root->awar("tmp/fields/fields_name")->unmap(); aw_root->awar("tmp/fields/fields_father")->unmap(); aw_root->awar("tmp/fields/fields_type")->unmap(); aw_root->awar("tmp/fields/fields_rem")->unmap(); aw_root->awar("tmp/fields/security")->unmap(); }else{ GBDATA *ali_name = GB_search(ali_cont,"fields_name", GB_STRING); GBDATA *ali_father = GB_search(ali_cont,"fields_father", GB_STRING); GBDATA *ali_type = GB_search(ali_cont,"fields_type", GB_INT); GBDATA *ali_security = GB_search(ali_cont,"fields_write_security",GB_INT); GBDATA *ali_rem = GB_search(ali_cont,"fields_rem", GB_STRING); aw_root->awar("tmp/fields/fields_name")->map((void*)ali_name); aw_root->awar("tmp/fields/fields_type")->map((void*)ali_type); aw_root->awar("tmp/fields/fields_father")->map((void*)ali_father); aw_root->awar("tmp/fields/fields_rem")->map((void*)ali_rem); aw_root->awar("tmp/fields/security")->map((void*)ali_security); } GB_pop_transaction(gb_main); free(use); } void create_fields_vars(AW_root *aw_root) { GB_push_transaction(gb_main); aw_root->awar_string("tmp/fields/use", "", aw_def ); aw_root->awar_string("tmp/fields/fields_name", "", aw_def ); aw_root->awar_string("tmp/fields/fields_rem"); aw_root->awar_string("tmp/fields/fields_father", "", aw_def); aw_root->awar_int ("tmp/fields/fields_type", "", aw_def); aw_root->awar_int ("tmp/fields/aligned", 0, aw_def); aw_root->awar_int ("tmp/fields/security", 0, aw_def); aw_root->awar("tmp/fields/use")->add_callback( fields_vars_callback); fields_vars_callback(aw_root); GB_pop_transaction(gb_main); } AW_window *create_fields_window(AW_root *root,AW_default aw_def) { AWUSE(aw_def); create_fields_vars(root); AW_window_simple *aws = new AW_window_simple; aws->init( root, "INFO_OF_FIELD", "FIELDS INFORMATION", 100, 0 ); aws->load_xfig("ad_align.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"ad_align.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->button_length(13); aws->at("delete"); aws->callback(ad_al_delete_cb); aws->create_button("DELETE","DELETE","D"); aws->at("rename"); aws->callback(AW_POPUP,(AW_CL)create_fields_rename_window,0); aws->create_button("RENAME","RENAME","R"); aws->at("create"); aws->callback(AW_POPUP,(AW_CL)create_fields_create_window,0); aws->create_button("CREATE","CREATE","N"); aws->at("copy"); aws->callback(AW_POPUP,(AW_CL)create_fields_copy_window,0); aws->create_button("COPY","COPY","C"); aws->at("check_len"); aws->callback(ed_al_check_len_cb); aws->create_button("CHECK_LEN","CHECK LEN","L"); aws->at("align"); aws->callback(ed_al_align_cb); aws->create_button("FORMAT","FORMAT","F"); aws->at("list"); awt_create_selection_list_on_ad(gb_main,(AW_window *)aws,"tmp/fields/use","*="); aws->at("aligned"); aws->create_option_menu("tmp/fields/aligned"); aws->callback(ed_al_check_len_cb); aws->insert_default_option("not formatted","n",0); aws->callback(ed_al_align_cb); aws->insert_option("formatted","j",1); aws->update_option_menu(); aws->at("len"); aws->create_input_field("tmp/fields/fields_len",5); aws->at("type"); aws->create_option_menu("tmp/fields/fields_type"); aws->insert_option("dna","d","dna"); aws->insert_option("rna","r","rna"); aws->insert_option("pro","p","ami"); aws->insert_default_option("???","?","usr"); aws->update_option_menu(); aws->at("security"); aws->create_option_menu("tmp/fields/security"); aws->callback(ed_al_check_len_cb); aws->insert_option("0","0",0); aws->callback(ed_al_check_len_cb); aws->insert_option("1","1",1); aws->callback(ed_al_check_len_cb); aws->insert_option("2","2",2); aws->callback(ed_al_check_len_cb); aws->insert_option("3","3",3); aws->callback(ed_al_check_len_cb); aws->insert_option("4","4",4); aws->callback(ed_al_check_len_cb); aws->insert_option("5","5",5); aws->callback(ed_al_check_len_cb); aws->insert_default_option("6","6",6); aws->update_option_menu(); aws->at("rem"); aws->create_text_field("tmp/fields/fields_rem"); return (AW_window *)aws; } ./arbsrc_9167/NTREE/ad_spec.cxx0000644012664100000130000015145411440743000016141 0ustar arb_buildcoders#include "ad_spec.hxx" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #ifndef ARB_ASSERT_H #include #endif #define nt_assert(bed) arb_assert(bed) extern GBDATA *GLOBAL_gb_main; // next neighbours of listed and selected: #define AWAR_NN_COMPLEMENT AWAR_NN_BASE "complement" // next neighbours of selected only: #define AWAR_NN_MAX_HITS AWAR_NN_BASE "max_hits" #define AWAR_NN_HIT_COUNT "tmp/" AWAR_NN_BASE "hit_count" // next neighbours of listed only: #define AWAR_NN_DEST_FIELD AWAR_NN_BASE "dest_field" #define AWAR_NN_WANTED_ENTRIES AWAR_NN_BASE "wanted_entries" #define AWAR_NN_SCORED_ENTRIES AWAR_NN_BASE "scored_entries" #define AWAR_NN_MIN_SCORE AWAR_NN_BASE "min_score" void create_species_var(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string(AWAR_SPECIES_DEST, "", aw_def); aw_root->awar_string(AWAR_SPECIES_INFO, "", aw_def); aw_root->awar_string(AWAR_SPECIES_KEY, "", aw_def); aw_root->awar_string(AWAR_FIELD_REORDER_SOURCE, "", aw_def); aw_root->awar_string(AWAR_FIELD_REORDER_DEST, "", aw_def); aw_root->awar_string(AWAR_FIELD_CREATE_NAME, "", aw_def); aw_root->awar_int (AWAR_FIELD_CREATE_TYPE, GB_STRING, aw_def); aw_root->awar_string(AWAR_FIELD_DELETE, "", aw_def); aw_root->awar_string(AWAR_FIELD_CONVERT_SOURCE, "", aw_def); aw_root->awar_int (AWAR_FIELD_CONVERT_TYPE, GB_STRING, aw_def); aw_root->awar_string(AWAR_FIELD_CONVERT_NAME, "", aw_def); } static void move_species_to_extended(AW_window *aww) { char *source = aww->get_root()->awar(AWAR_SPECIES_NAME)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_sai_data = GBT_get_SAI_data(GLOBAL_gb_main); if (!gb_sai_data) error = GB_await_error(); else { GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main, source); GBDATA *gb_dest = GBT_find_SAI_rel_SAI_data(gb_sai_data, source); if (gb_dest) error = GBS_global_string("SAI '%s' already exists", source); else if (gb_species) { gb_dest = GB_create_container(gb_sai_data, "extended"); if (!gb_dest) error = GB_await_error(); else { error = GB_copy(gb_dest, gb_species); if (!error) { error = GB_delete(gb_species); if (!error) aww->get_root()->awar(AWAR_SPECIES_NAME)->write_string(""); } } } else error = "Please select a species"; } } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(source); } /** \file ad_spec.cxx * \brief Functions for creating and modifying species and SAIs. */ /** \brief Creates an SAI from protein secondary structure of a selected species. * * \param[in] aww AW_window * \param[in] ntw AWT_canvas * * The function takes the currently selected species and searches for the field * "sec_struct". A new SAI is created using the data in this field. A simple input * window allows the user to change the default name ([species name]_pfold) for * the new SAI. * * \note The import filter "dssp_all.ift" allows for importing the amino acid sequence * as well as the protein secondary structure from a dssp file and the structure * is stored in the field "sec_struct". That way, secondary structure can be * aligned along with the sequence manually and can later be extracted to create * an SAI. * * \attention The import filter "dssp_2nd_struct.ift" extracts only the protein * secondary structure which is stored as alignment data. SAIs can simply * be created from these species via move_species_to_extended(). */ void create_sai_from_pfold(AW_window *aww, AW_CL ntw, AW_CL) { GB_ERROR error = 0; GB_begin_transaction(GLOBAL_gb_main); char *sai_name = 0; char *sec_struct = 0; bool canceled = false; // get the selected species char *species_name = aww->get_root()->awar(AWAR_SPECIES_NAME)->read_string(); GBDATA *gb_species = 0; if ( !strcmp(species_name, "") || !(gb_species = GBT_find_species(GLOBAL_gb_main, species_name)) ) { error = "Please select a species first."; } else { // search for the field "sec_struct" GBDATA *gb_species_sec_struct = GB_entry(gb_species, "sec_struct"); if (!gb_species_sec_struct) { error = "Field \"sec_struct\" not found or empty. Please select another species."; } else if ( !(sec_struct = GB_read_string(gb_species_sec_struct)) ) { error = "Couldn't read field \"sec_struct\". Is it empty?"; } else { // generate default name and name input field for the new SAI { char *sai_default_name = GBS_global_string_copy("%s%s", species_name, strstr(species_name, "_pfold") ? "" : "_pfold"); sai_name = aw_input("Name of SAI to create:", sai_default_name); free(sai_default_name); } if (!sai_name) { canceled = true; } else if (strspn(sai_name, " ") == strlen(sai_name)) { error = "Name of SAI is empty. Please enter a valid name."; } else { GBDATA *gb_sai_data = GBT_get_SAI_data(GLOBAL_gb_main); GBDATA *gb_sai = GBT_find_SAI_rel_SAI_data(gb_sai_data, sai_name); char *ali_name = GBT_get_default_alignment(GLOBAL_gb_main); if (gb_sai) { error = "SAI with the same name already exists. Please enter another name."; } else { // create SAI container and copy fields from the species to the SAI gb_sai = GB_create_container(gb_sai_data, "extended"); GBDATA *gb_species_field = GB_child(gb_species); while (gb_species_field && !error) { char *key = GB_read_key(gb_species_field); GBDATA *gb_sai_field = GB_search(gb_sai, GB_read_key(gb_species_field), GB_read_type(gb_species_field)); if (strcmp(key, "name") == 0) { // write the new name error = GB_write_string(gb_sai_field, sai_name); } else if (strcmp(key, "sec_struct") == 0) { // write contents from the field "sec_struct" to the alignment data GBDATA *gb_sai_ali = GB_search(gb_sai, ali_name, GB_CREATE_CONTAINER); if (!gb_sai_ali) error = GB_await_error(); else error = GBT_write_string(gb_sai_ali, "data", sec_struct); } else if (strcmp(key, "acc") != 0 && strcmp(key, ali_name) != 0) { // don't copy "acc" and the old alignment data error = GB_copy(gb_sai_field, gb_species_field); } gb_species_field = GB_nextChild(gb_species_field); free(key); } // generate accession number and delete field "sec_struct" from the SAI if (!error) { //TODO: is it necessary that a new acc is generated here? GBDATA *gb_sai_acc = GB_search(gb_sai, "acc", GB_FIND); if (gb_sai_acc) { GB_delete(gb_sai_acc); GBT_gen_accession_number(gb_sai, ali_name); } GBDATA *gb_sai_sec_struct = GB_search(gb_sai, "sec_struct", GB_FIND); if (gb_sai_sec_struct) GB_delete(gb_sai_sec_struct); aww->get_root()->awar(AWAR_SAI_NAME)->write_string(sai_name); } } } } } if (canceled) error = "Aborted by user"; GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); if (!error) { AW_window *sai_info = NT_create_extendeds_window(aww->get_root()); //TODO: why doesn't info box show anything on first startup? proper refresh needed? sai_info->activate(); ((AWT_canvas *)ntw)->refresh(); // refresh doesn't work, I guess... } free(species_name); free(sai_name); free(sec_struct); } static void species_create_cb(AW_window * aww) { char *dest = aww->get_root()->awar(AWAR_SPECIES_DEST)->read_string(); GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_species_data = GB_search(GLOBAL_gb_main, "species_data", GB_CREATE_CONTAINER); if (!gb_species_data) error = GB_await_error(); else { GBDATA *gb_dest = GBT_find_species_rel_species_data(gb_species_data, dest); if (gb_dest) error = GBS_global_string("Species '%s' already exists", dest); else { gb_dest = GBT_find_or_create_species_rel_species_data(gb_species_data, dest); if (!gb_dest) error = GB_await_error(); else aww->get_root()->awar(AWAR_SPECIES_NAME)->write_string(dest); } } } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(dest); } static AW_window *create_species_create_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "CREATE_SPECIES","SPECIES CREATE"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new species"); aws->at("input"); aws->create_input_field(AWAR_SPECIES_DEST,15); aws->at("ok"); aws->callback(species_create_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } static GBDATA *expect_species_selected(AW_root *aw_root, char **give_name = 0) { GB_transaction ta(GLOBAL_gb_main); char *name = aw_root->awar(AWAR_SPECIES_NAME)->read_string(); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main, name); if (!gb_species) { if (name && name[0]) aw_message(GBS_global_string("Species '%s' does not exist.", name)); else aw_message("Please select a species first"); } if (give_name) *give_name = name; else free(name); return gb_species; } static void ad_species_copy_cb(AW_window *aww, AW_CL, AW_CL) { AW_root *aw_root = aww->get_root(); char *name; GBDATA *gb_species = expect_species_selected(aw_root, &name); if (gb_species) { GB_transaction ta(GLOBAL_gb_main); GBDATA *gb_species_data = GB_get_father(gb_species); UniqueNameDetector und(gb_species_data); GB_ERROR error = 0; char *copy_name = AWTC_makeUniqueShortName(GBS_global_string("c%s", name), und); if (!copy_name) error = GB_await_error(); else { GBDATA *gb_new_species = GB_create_container(gb_species_data, "species"); if (!gb_new_species) error = GB_await_error(); else { error = GB_copy(gb_new_species, gb_species); if (!error) { error = GBT_write_string(gb_new_species, "name", copy_name); if (!error) aw_root->awar(AWAR_SPECIES_NAME)->write_string(copy_name); // set focus } } free(copy_name); } if (error) { error = ta.close(error); aw_message(error); } } } static void ad_species_rename_cb(AW_window *aww, AW_CL, AW_CL) { AW_root *aw_root = aww->get_root(); GBDATA *gb_species = expect_species_selected(aw_root); if (gb_species) { GB_transaction ta(GLOBAL_gb_main); GBDATA *gb_full_name = GB_search(gb_species, "full_name", GB_STRING); const char *full_name = gb_full_name ? GB_read_char_pntr(gb_full_name) : ""; char *new_full_name = aw_input("Enter new 'full_name' of species:", full_name); if (new_full_name) { GB_ERROR error = 0; if (strcmp(full_name, new_full_name) != 0) { error = GB_write_string(gb_full_name, new_full_name); } if (!error) { if (aw_ask_sure("Do you want to re-create the 'name' field?")) { aw_openstatus("Recreating species name"); aw_status(""); aw_status(0.0); error = AWTC_recreate_name(gb_species, true); if (!error) aw_root->awar(AWAR_SPECIES_NAME)->write_string(GBT_read_name(gb_species)); // set focus aw_closestatus(); } } if (error) { error = ta.close(error); aw_message(error); } } } } static void ad_species_delete_cb(AW_window *aww, AW_CL, AW_CL) { AW_root *aw_root = aww->get_root(); char *name; GBDATA *gb_species = expect_species_selected(aw_root, &name); GB_ERROR error = 0; if (!gb_species) { error = "Please select a species first"; } else if (aw_ask_sure(GBS_global_string("Are you sure to delete the species '%s'?", name))) { GB_transaction ta(GLOBAL_gb_main); error = GB_delete(gb_species); error = ta.close(error); if (!error) aw_root->awar(AWAR_SPECIES_NAME)->write_string(""); } if (error) aw_message(error); free(name); } static AW_CL ad_global_scannerid = 0; static AW_root *ad_global_scannerroot = 0; static AW_root *ad_global_default_awroot = 0; void AD_set_default_root(AW_root *aw_root) { ad_global_default_awroot = aw_root; } static void AD_map_species(AW_root *aw_root, AW_CL scannerid, AW_CL mapOrganism) { GB_push_transaction(GLOBAL_gb_main); char *source = aw_root->awar((bool)mapOrganism ? AWAR_ORGANISM_NAME : AWAR_SPECIES_NAME)->read_string(); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main,source); if (gb_species) { awt_map_arbdb_scanner(scannerid,gb_species,0, CHANGE_KEY_PATH); } GB_pop_transaction(GLOBAL_gb_main); free(source); } void AD_map_viewer(GBDATA *gbd,AD_MAP_VIEWER_TYPE type) { GB_ERROR error = GB_push_transaction(GLOBAL_gb_main); if (!error) { const char *species_name = ""; GBDATA *gb_species_data = GB_search(GLOBAL_gb_main,"species_data",GB_CREATE_CONTAINER); if (gbd && GB_get_father(gbd) == gb_species_data) { species_name = GBT_read_name(gbd); } if (ad_global_scannerroot) { // if we have an active info-scanner, then update its awar ad_global_scannerroot->awar(AWAR_SPECIES_NAME)->write_string(species_name); } else if (ad_global_default_awroot) { // no active scanner -> write global awar ad_global_default_awroot->awar(AWAR_SPECIES_NAME)->write_string(species_name); } } if (!error && gbd && type == ADMVT_WWW) { GBDATA *gb_name = GB_entry(gbd,"name"); if (!gb_name) gb_name = GB_entry(gbd,"group_name"); // bad hack, should work const char *name = gb_name ? GB_read_char_pntr(gb_name) : "noname"; error = awt_openURL_by_gbd(GLOBAL_NT.awr, GLOBAL_gb_main, gbd, name); } error = GB_end_transaction(GLOBAL_gb_main, error); if (error) aw_message(error); } static int count_key_data_elements(GBDATA *gb_key_data) { int nitems = 0; for (GBDATA *gb_cnt = GB_child(gb_key_data); gb_cnt; gb_cnt = GB_nextChild(gb_cnt)) { ++nitems; } return nitems; } static void ad_list_reorder_cb(AW_window *aws, AW_CL cl_cbs1, AW_CL cl_cbs2) { GB_begin_transaction(GLOBAL_gb_main); char *source = aws->get_root()->awar(AWAR_FIELD_REORDER_SOURCE)->read_string(); char *dest = aws->get_root()->awar(AWAR_FIELD_REORDER_DEST)->read_string(); GB_ERROR warning = 0; const adawcbstruct *cbs1 = (const adawcbstruct*)cl_cbs1; const adawcbstruct *cbs2 = (const adawcbstruct*)cl_cbs2; const ad_item_selector *selector = cbs1->selector; GBDATA *gb_source = GBT_get_changekey(GLOBAL_gb_main,source, selector->change_key_path); GBDATA *gb_dest = GBT_get_changekey(GLOBAL_gb_main,dest, selector->change_key_path); int left_index = aws->get_index_of_current_element(cbs1->id, AWAR_FIELD_REORDER_SOURCE); int right_index = aws->get_index_of_current_element(cbs2->id, AWAR_FIELD_REORDER_DEST); if (!gb_source) { aw_message("Please select an item you want to move (left box)"); } else if (!gb_dest) { aw_message("Please select a destination where to place your item (right box)"); } else if (gb_dest !=gb_source) { nt_assert(left_index != right_index); GBDATA *gb_key_data = GB_search(GLOBAL_gb_main, selector->change_key_path, GB_CREATE_CONTAINER); int nitems = count_key_data_elements(gb_key_data); GBDATA **new_order = new GBDATA *[nitems]; nitems = 0; for (GBDATA *gb_key = GB_child(gb_key_data); gb_key; gb_key = GB_nextChild(gb_key)) { if (gb_key == gb_source) continue; new_order[nitems++] = gb_key; if (gb_key == gb_dest) { new_order[nitems++] = gb_source; } } warning = GB_resort_data_base(GLOBAL_gb_main,new_order,nitems); delete [] new_order; if (left_index>right_index) { left_index++; right_index++; } // in one case increment indices } free(source); free(dest); GB_commit_transaction(GLOBAL_gb_main); if (warning) { aw_message(warning); } else { aws->select_index(cbs1->id, AWAR_FIELD_REORDER_SOURCE, left_index); aws->select_index(cbs2->id, AWAR_FIELD_REORDER_DEST, right_index); } } static void ad_list_reorder_cb2(AW_window *aws, AW_CL cl_cbs2, AW_CL cl_dir) { GB_begin_transaction(GLOBAL_gb_main); int dir = (int)cl_dir; const adawcbstruct *cbs2 = (const adawcbstruct*)cl_cbs2; GB_ERROR warning = 0; char *field_name = aws->get_root()->awar(AWAR_FIELD_REORDER_DEST)->read_string(); const ad_item_selector *selector = cbs2->selector; GBDATA *gb_field = GBT_get_changekey(GLOBAL_gb_main, field_name, selector->change_key_path); if (!gb_field) { warning = "Please select an item to move (right box)"; } else { GBDATA *gb_key_data = GB_search(GLOBAL_gb_main, selector->change_key_path, GB_CREATE_CONTAINER); int nitems = count_key_data_elements(gb_key_data); GBDATA **new_order = new GBDATA *[nitems]; nitems = 0; int curr_index = -1; for (GBDATA *gb_key = GB_child(gb_key_data); gb_key; gb_key = GB_nextChild(gb_key)) { if (gb_key == gb_field) curr_index = nitems; new_order[nitems++] = gb_key; } nt_assert(curr_index != -1); int new_index = curr_index+dir; if (new_index<0 || new_index > nitems) { warning = GBS_global_string("Illegal target index '%i'", new_index); } else { if (new_indexnew_index; --i) new_order[i] = new_order[i-1]; new_order[new_index] = gb_field; } else if (new_index>curr_index) { for (int i = curr_index; itype]) return (AW_window *)awsa[selector->type]; AW_window_simple *aws = new AW_window_simple; awsa[selector->type] = aws; aws->init( root, "REORDER_FIELDS", "REORDER FIELDS"); aws->load_xfig("ad_kreo.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); AW_CL cbs1 = awt_create_selection_list_on_scandb(GLOBAL_gb_main, (AW_window*)aws, AWAR_FIELD_REORDER_SOURCE, AWT_NDS_FILTER, "source", 0, selector, 20, 10); AW_CL cbs2 = awt_create_selection_list_on_scandb(GLOBAL_gb_main, (AW_window*)aws, AWAR_FIELD_REORDER_DEST, AWT_NDS_FILTER, "dest", 0, selector, 20, 10); aws->button_length(0); aws->at("doit"); aws->callback(ad_list_reorder_cb, cbs1, cbs2); aws->help_text("spaf_reorder.hlp"); aws->create_button("MOVE_LEFT_BEHIND_RIGHT", "MOVE LEFT\nBEHIND RIGHT","L"); aws->at("doit2"); aws->callback(ad_list_reorder_cb2, cbs2, -1); aws->help_text("spaf_reorder.hlp"); aws->create_button("MOVE_UP_RIGHT", "MOVE RIGHT\nUP","U"); aws->at("doit3"); aws->callback(ad_list_reorder_cb2, cbs2, 1); aws->help_text("spaf_reorder.hlp"); aws->create_button("MOVE_DOWN_RIGHT", "MOVE RIGHT\nDOWN","U"); return (AW_window *)aws; } static void ad_hide_field(AW_window *aws, AW_CL cl_cbs, AW_CL cl_hide) { const adawcbstruct *cbs = (const adawcbstruct *)cl_cbs; GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { char *source = aws->get_root()->awar(AWAR_FIELD_DELETE)->read_string(); const ad_item_selector *selector = cbs->selector; GBDATA *gb_source = GBT_get_changekey(GLOBAL_gb_main, source, selector->change_key_path); if (!gb_source) error = "Please select the field you want to (un)hide"; else error = GBT_write_int(gb_source, CHANGEKEY_HIDDEN, int(cl_hide)); free(source); } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); if (!error) aws->move_selection(cbs->id, AWAR_FIELD_DELETE, 1); } static void ad_field_delete(AW_window *aws, AW_CL cl_cbs) { GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { char *source = aws->get_root()->awar(AWAR_FIELD_DELETE)->read_string(); const adawcbstruct *cbs = (const adawcbstruct *)cl_cbs; const ad_item_selector *selector = cbs->selector; int curr_index = aws->get_index_of_current_element(cbs->id, AWAR_FIELD_DELETE); GBDATA *gb_source = GBT_get_changekey(GLOBAL_gb_main, source, selector->change_key_path); if (!gb_source) error = "Please select the field you want to delete"; else error = GB_delete(gb_source); for (GBDATA *gb_item_container = selector->get_first_item_container(GLOBAL_gb_main, aws->get_root(), AWT_QUERY_ALL_SPECIES); !error && gb_item_container; gb_item_container = selector->get_next_item_container(gb_item_container, AWT_QUERY_ALL_SPECIES)) { for (GBDATA * gb_item = selector->get_first_item(gb_item_container); !error && gb_item; gb_item = selector->get_next_item(gb_item)) { GBDATA *gbd = GB_search(gb_item, source, GB_FIND); if (gbd) { error = GB_delete(gbd); if (!error) { // item has disappeared, this selects the next one: aws->select_index(cbs->id, AWAR_FIELD_DELETE, curr_index); } } } } free(source); } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); } AW_window *NT_create_ad_field_delete(AW_root *root, AW_CL cl_item_selector) { const ad_item_selector *selector = (const ad_item_selector*)cl_item_selector; static AW_window_simple *awsa[AWT_QUERY_ITEM_TYPES]; if (awsa[selector->type]) return (AW_window *)awsa[selector->type]; AW_window_simple *aws = new AW_window_simple; awsa[selector->type] = aws; aws = new AW_window_simple; aws->init( root, "DELETE_FIELD", "DELETE FIELD"); aws->load_xfig("ad_delof.fig"); aws->button_length(6); aws->at("close");aws->callback( AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback( AW_POPUP_HELP,(AW_CL)"spaf_delete.hlp"); aws->create_button("HELP","HELP","H"); AW_CL cbs = awt_create_selection_list_on_scandb(GLOBAL_gb_main, (AW_window*)aws,AWAR_FIELD_DELETE, -1, "source", 0, selector, 20, 10, AWT_SF_HIDDEN); aws->button_length(13); aws->at("hide"); aws->callback(ad_hide_field, cbs, (AW_CL)1); aws->help_text("rm_field_only.hlp"); aws->create_button("HIDE_FIELD","Hide field","H"); aws->at("unhide"); aws->callback(ad_hide_field, cbs, (AW_CL)0); aws->help_text("rm_field_only.hlp"); aws->create_button("UNHIDE_FIELD","Unhide field","U"); aws->at("delf"); aws->callback(ad_field_delete, cbs); aws->help_text("rm_field_cmpt.hlp"); aws->create_button("DELETE_FIELD", "DELETE FIELD\n(DATA DELETED)","C"); return (AW_window *)aws; } static void ad_field_create_cb(AW_window *aws, AW_CL cl_item_selector) { GB_push_transaction(GLOBAL_gb_main); char *name = aws->get_root()->awar(AWAR_FIELD_CREATE_NAME)->read_string(); GB_ERROR error = GB_check_key(name); GB_ERROR error2 = GB_check_hkey(name); if (error && !error2) { aw_message("Warning: Your key contain a '/' character,\n" " that means it is a hierarchical key"); error = 0; } int type = (int)aws->get_root()->awar(AWAR_FIELD_CREATE_TYPE)->read_int(); const ad_item_selector *selector = (const ad_item_selector*)cl_item_selector; if (!error) error = GBT_add_new_changekey_to_keypath(GLOBAL_gb_main, name, type, selector->change_key_path); aws->hide_or_notify(error); free(name); GB_pop_transaction(GLOBAL_gb_main); } AW_window *NT_create_ad_field_create(AW_root *root, AW_CL cl_item_selector) { const ad_item_selector *selector = (const ad_item_selector*)cl_item_selector; static AW_window_simple *awsa[AWT_QUERY_ITEM_TYPES]; if (awsa[selector->type]) return (AW_window *)awsa[selector->type]; AW_window_simple *aws = new AW_window_simple; awsa[selector->type] = aws; aws->init( root, "CREATE_FIELD","CREATE A NEW FIELD"); aws->load_xfig("ad_fcrea.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("input"); aws->label("FIELD NAME"); aws->create_input_field(AWAR_FIELD_CREATE_NAME,15); aws->at("type"); aws->create_toggle_field(AWAR_FIELD_CREATE_TYPE,"FIELD TYPE","F"); aws->insert_toggle("Ascii Text", "S", (int)GB_STRING); aws->insert_toggle("Link", "L", (int)GB_LINK); aws->insert_toggle("Rounded Numerical", "N", (int)GB_INT); aws->insert_toggle("Numerical", "R", (int)GB_FLOAT); aws->insert_toggle("MASK = 01 Text", "0", (int)GB_BITS); aws->update_toggle_field(); aws->at("ok"); aws->callback(ad_field_create_cb, cl_item_selector); aws->create_button("CREATE","CREATE","C"); return (AW_window *)aws; } #if defined(DEVEL_RALF) #warning GBT_convert_changekey currently only works for species fields, make it work with genes/exp/... as well (use selector) #endif // DEVEL_RALF static void ad_field_convert_commit_cb(AW_window *aws, AW_CL cl_item_selector) { const ad_item_selector *selector = (const ad_item_selector*) cl_item_selector; AW_root *root = aws->get_root(); GB_ERROR error = NULL; GB_push_transaction(GLOBAL_gb_main); error = GBT_convert_changekey(GLOBAL_gb_main, root->awar(AWAR_FIELD_CONVERT_SOURCE)->read_string(), (GB_TYPES)root->awar(AWAR_FIELD_CONVERT_TYPE)->read_int()); GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); } static void ad_field_convert_update_typesel_cb(AW_window *aws, AW_CL cl_item_selector) { const ad_item_selector *selector = (const ad_item_selector*) cl_item_selector; AW_root *root = aws->get_root(); GB_push_transaction(GLOBAL_gb_main); int type = GBT_get_type_of_changekey( GLOBAL_gb_main, root->awar(AWAR_FIELD_CONVERT_SOURCE)->read_string(), selector->change_key_path); GB_pop_transaction(GLOBAL_gb_main); root->awar(AWAR_FIELD_CONVERT_TYPE)->write_int(type); } AW_window *NT_create_ad_field_convert(AW_root *root, AW_CL cl_item_selector) { const ad_item_selector *selector = (const ad_item_selector*) cl_item_selector; static AW_window_simple *awsa[AWT_QUERY_ITEM_TYPES]; if (awsa[selector->type]) return (AW_window *)awsa[selector->type]; AW_window_simple *aws = new AW_window_simple; awsa[selector->type] = aws; aws->init(root, "CONVERT_FIELD", "CONVERT FIELDS"); aws->load_xfig("ad_conv.fig"); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback( AW_POPUP_HELP,(AW_CL)"spaf_convert.hlp"); aws->create_button("HELP","HELP","H"); aws->callback(ad_field_convert_update_typesel_cb, cl_item_selector); awt_create_selection_list_on_scandb(GLOBAL_gb_main, aws, AWAR_FIELD_CONVERT_SOURCE, // AWAR containing selection -1, // type filter "source", // selector xfig position 0, // rescan button xfig position selector, 40, 20, // selector w,h AWT_SF_HIDDEN); aws->at("typesel"); aws->create_toggle_field(AWAR_FIELD_CONVERT_TYPE, NULL, "F"); aws->insert_toggle("Ascii Text", "S", (int)GB_STRING); aws->insert_toggle("Link", "L", (int)GB_LINK); aws->insert_toggle("Rounded Numerical", "N", (int)GB_INT); aws->insert_toggle("Numerical", "R", (int)GB_FLOAT); aws->insert_toggle("MASK = 01 Text", "0", (int)GB_BITS); aws->update_toggle_field(); aws->at("convert"); aws->callback(ad_field_convert_commit_cb, cl_item_selector); aws->create_button("CONVERT","CONVERT","T"); return (AW_window*)aws; } void ad_spec_create_field_items(AW_window *aws) { aws->insert_menu_topic("spec_reorder_fields", "Reorder fields ...", "R", "spaf_reorder.hlp", AWM_ALL, AW_POPUP, (AW_CL)NT_create_ad_list_reorder, (AW_CL)&AWT_species_selector); aws->insert_menu_topic("spec_delete_field", "Delete/Hide fields ...", "D", "spaf_delete.hlp", AWM_EXP, AW_POPUP, (AW_CL)NT_create_ad_field_delete, (AW_CL)&AWT_species_selector); aws->insert_menu_topic("spec_create_field", "Create fields ...", "C", "spaf_create.hlp", AWM_ALL, AW_POPUP, (AW_CL)NT_create_ad_field_create, (AW_CL)&AWT_species_selector); aws->insert_menu_topic("spec_convert_field", "Convert fields ...", "t", "spaf_convert.hlp", AWM_EXP, AW_POPUP, (AW_CL)NT_create_ad_field_convert,(AW_CL)&AWT_species_selector); aws->insert_separator(); aws->insert_menu_topic("spec_unhide_fields", "Show all hidden fields", "S", "scandb.hlp", AWM_ALL, (AW_CB)awt_selection_list_unhide_all_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_separator(); aws->insert_menu_topic("spec_scan_unknown_fields", "Scan unknown fields", "u", "scandb.hlp", AWM_ALL, (AW_CB)awt_selection_list_scan_unknown_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_menu_topic("spec_del_unused_fields", "Forget unused fields", "e", "scandb.hlp", AWM_ALL, (AW_CB)awt_selection_list_delete_unused_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); aws->insert_menu_topic("spec_refresh_fields", "Refresh fields (both)", "f", "scandb.hlp", AWM_ALL, (AW_CB)awt_selection_list_update_cb, (AW_CL)GLOBAL_gb_main, AWT_NDS_FILTER); } #include static void awtc_nn_search_all_listed(AW_window *aww,AW_CL _cbs) { struct adaqbsstruct *cbs = (struct adaqbsstruct *)_cbs; nt_assert(cbs->selector->type == AWT_QUERY_ITEM_SPECIES); GB_begin_transaction(GLOBAL_gb_main); AW_root *aw_root = aww->get_root(); char *dest_field = aw_root->awar(AWAR_NN_DEST_FIELD)->read_string(); GB_ERROR error = 0; GB_TYPES dest_type = GBT_get_type_of_changekey(GLOBAL_gb_main, dest_field, CHANGE_KEY_PATH); if (!dest_type){ error = GB_export_error("Please select a valid field"); } long max = awt_count_queried_items(cbs, AWT_QUERY_ALL_SPECIES); if (strcmp(dest_field, "name")==0) { int answer = aw_question("CAUTION! This will destroy all name-fields of the listed species.\n", "Continue and destroy all name-fields,Abort"); if (answer==1) { error = GB_export_error("Aborted by user"); } } aw_openstatus("Searching next neighbours"); long count = 0; int pts = aw_root->awar(AWAR_PROBE_ADMIN_PT_SERVER)->read_int(); char *ali_name = aw_root->awar(AWAR_DEFAULT_ALIGNMENT)->read_string(); int oligo_len = aw_root->awar(AWAR_NN_OLIGO_LEN)->read_int(); int mismatches = aw_root->awar(AWAR_NN_MISMATCHES)->read_int(); bool fast_mode = aw_root->awar(AWAR_NN_FAST_MODE)->read_int(); FF_complement compl_mode = static_cast(aw_root->awar(AWAR_NN_COMPLEMENT)->read_int()); bool rel_matches = aw_root->awar(AWAR_NN_REL_MATCHES)->read_int(); int wanted_entries = aw_root->awar(AWAR_NN_WANTED_ENTRIES)->read_int(); bool scored_entries = aw_root->awar(AWAR_NN_SCORED_ENTRIES)->read_int(); int min_score = aw_root->awar(AWAR_NN_MIN_SCORE)->read_int(); for (GBDATA *gb_species = GBT_first_species(GLOBAL_gb_main); !error && gb_species; gb_species = GBT_next_species(gb_species)) { if (!IS_QUERIED(gb_species,cbs)) continue; count++; if ((count%10) == 0){ GBDATA *gb_name = GB_search(gb_species,"name",GB_STRING); aw_status(GBS_global_string("Species '%s' (%li:%li)", GB_read_char_pntr(gb_name), count, max)); } GBDATA *gb_data = GBT_read_sequence(gb_species,ali_name); if (!gb_data) continue; if (aw_status(count/(double)max)){ error = "operation aborted"; } else { char *sequence = GB_read_string(gb_data); AWTC_FIND_FAMILY ff(GLOBAL_gb_main); error = ff.findFamily(pts, sequence, oligo_len, mismatches, fast_mode, rel_matches, compl_mode, wanted_entries); if (!error) { const AWTC_FIND_FAMILY_MEMBER *fm = ff.getFamilyList(); GBS_strstruct *value = NULL; while (fm) { const char *thisValue = 0; if (rel_matches) { if ((fm->rel_matches*100) > min_score) { thisValue = scored_entries ? GBS_global_string("%.1f%%:%s", fm->rel_matches*100, fm->name) : fm->name; } } else { if (fm->matches > min_score) { thisValue = scored_entries ? GBS_global_string("%li:%s", fm->matches, fm->name) : fm->name; } } if (thisValue) { if (value == NULL) { // first entry value = GBS_stropen(1000); } else { GBS_chrcat(value, ';'); } GBS_strcat(value, thisValue); } fm = fm->next; } if (value) { GBDATA *gb_dest = GB_search(gb_species, dest_field, dest_type); error = GB_write_as_string(gb_dest, GBS_mempntr(value)); GBS_strforget(value); } else { GBDATA *gb_dest = GB_search(gb_species, dest_field, GB_FIND); if (gb_dest) error = GB_delete(gb_dest); } } free(sequence); } } aw_closestatus(); GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(dest_field); free(ali_name); } static void awtc_nn_search(AW_window *aww, AW_CL id) { AW_root *aw_root = aww->get_root(); GB_ERROR error = 0; char *sequence = 0; { GB_transaction ta(GLOBAL_gb_main); char *sel_species = aw_root->awar(AWAR_SPECIES_NAME)->read_string(); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main,sel_species); if (!gb_species){ error = "Select a species first"; } else { char *ali_name = aw_root->awar(AWAR_DEFAULT_ALIGNMENT)->read_string(); GBDATA *gb_data = GBT_read_sequence(gb_species,ali_name); if (gb_data) { sequence = GB_read_string(gb_data); } else { error = GBS_global_string("Species '%s' has no sequence '%s'",sel_species,ali_name); } free(ali_name); } free(sel_species); } AWTC_FIND_FAMILY ff(GLOBAL_gb_main); bool rel_matches = aw_root->awar(AWAR_NN_REL_MATCHES)->read_int(); int max_hits = 0; // max wanted hits if (!error) { int pts = aw_root->awar(AWAR_PROBE_ADMIN_PT_SERVER)->read_int(); int oligo_len = aw_root->awar(AWAR_NN_OLIGO_LEN)->read_int(); int mismatches = aw_root->awar(AWAR_NN_MISMATCHES)->read_int(); bool fast_mode = aw_root->awar(AWAR_NN_FAST_MODE)->read_int(); FF_complement compl_mode = static_cast(aw_root->awar(AWAR_NN_COMPLEMENT)->read_int()); max_hits = aw_root->awar(AWAR_NN_MAX_HITS)->read_int(); error = ff.findFamily(pts, sequence, oligo_len, mismatches, fast_mode, rel_matches, compl_mode, max_hits); } // update result list { AW_selection_list* sel = (AW_selection_list *)id; aww->clear_selection_list(sel); int hits = 0; if (error) { aw_message(error); aww->insert_default_selection(sel,"",""); } else { int count = 1; int numWidth = log(max_hits)/log(10)+1; for (const AWTC_FIND_FAMILY_MEMBER *fm = ff.getFamilyList(); fm; fm = fm->next) { const char *dis; if (rel_matches) { dis = GBS_global_string("#%0*i %-12s Rel.hits: %5.1f%%", numWidth, count, fm->name, fm->rel_matches*100); } else { dis = GBS_global_string("#%0*i %-12s Hits: %4li", numWidth, count, fm->name, fm->matches); } aww->insert_selection(sel, dis, fm->name); count++; } aww->insert_default_selection(sel, ff.hits_were_truncated() ? "" : "",""); hits = ff.getRealHits(); } aw_root->awar(AWAR_NN_HIT_COUNT)->write_int(hits); aww->update_selection_list(sel); } free(sequence); } static void awtc_move_hits(AW_window *aww, AW_CL id, AW_CL cbs) { AW_root *aw_root = aww->get_root(); char *current_species = aw_root->awar(AWAR_SPECIES_NAME)->read_string(); if (!current_species) current_species = strdup(""); char *hit_description = GBS_global_string_copy("", current_species); awt_copy_selection_list_2_queried_species((struct adaqbsstruct *)cbs, (AW_selection_list *)id, hit_description); free(hit_description); free(current_species); } static void create_next_neighbours_vars(AW_root *aw_root) { static bool created = false; if (!created) { aw_root->awar_int(AWAR_PROBE_ADMIN_PT_SERVER); aw_root->awar_int(AWAR_NN_COMPLEMENT, FF_FORWARD); aw_root->awar_int(AWAR_NN_MAX_HITS, 50); aw_root->awar_int(AWAR_NN_HIT_COUNT, 0); aw_root->awar_string(AWAR_NN_DEST_FIELD, "tmp"); aw_root->awar_int(AWAR_NN_WANTED_ENTRIES, 5); aw_root->awar_int(AWAR_NN_SCORED_ENTRIES, 1); aw_root->awar_int(AWAR_NN_MIN_SCORE, 80); AWTC_create_common_next_neighbour_vars(aw_root); created = true; } } static void create_common_next_neighbour_fields(AW_window *aws) { aws->at("pt_server"); awt_create_selection_list_on_pt_servers(aws, AWAR_PROBE_ADMIN_PT_SERVER, true); AWTC_create_common_next_neighbour_fields(aws); aws->at("compl"); aws->create_option_menu(AWAR_NN_COMPLEMENT, 0, 0); aws->insert_default_option("forward", "", FF_FORWARD); aws->insert_option ("reverse", "", FF_REVERSE); aws->insert_option ("complement", "", FF_COMPLEMENT); aws->insert_option ("reverse-complement", "", FF_REVERSE_COMPLEMENT); aws->insert_option ("fwd + rev-compl", "", FF_FORWARD|FF_REVERSE_COMPLEMENT); aws->insert_option ("rev + compl", "", FF_REVERSE|FF_COMPLEMENT); aws->insert_option ("any", "", FF_FORWARD|FF_REVERSE|FF_COMPLEMENT|FF_REVERSE_COMPLEMENT); aws->update_option_menu(); } static AW_window *ad_spec_next_neighbours_listed_create(AW_root *aw_root,AW_CL cbs){ static AW_window_simple *aws = 0; if (!aws) { create_next_neighbours_vars(aw_root); aws = new AW_window_simple; aws->init( aw_root, "SEARCH_NEXT_RELATIVES_OF_LISTED", "Search Next Neighbours of Listed"); aws->load_xfig("ad_spec_nnm.fig"); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP, (AW_CL)"next_neighbours_listed.hlp"); aws->create_button("HELP","HELP","H"); create_common_next_neighbour_fields(aws); aws->at("entries"); aws->create_input_field(AWAR_NN_WANTED_ENTRIES, 3); aws->at("add_score"); aws->create_toggle(AWAR_NN_SCORED_ENTRIES); aws->at("min_score"); aws->create_input_field(AWAR_NN_MIN_SCORE, 5); aws->at("field"); awt_create_selection_list_on_scandb(GLOBAL_gb_main,aws,AWAR_NN_DEST_FIELD, (1<at("go"); aws->callback(awtc_nn_search_all_listed,cbs); aws->create_button("WRITE_FIELDS","Write to field"); } return aws; } static AW_window *ad_spec_next_neighbours_create(AW_root *aw_root,AW_CL cbs){ static AW_window_simple *aws = 0; if (!aws) { create_next_neighbours_vars(aw_root); aws = new AW_window_simple; aws->init( aw_root, "SEARCH_NEXT_RELATIVE_OF_SELECTED", "Search Next Neighbours"); aws->load_xfig("ad_spec_nn.fig"); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP, (AW_CL)"next_neighbours.hlp"); aws->create_button("HELP","HELP","H"); create_common_next_neighbour_fields(aws); aws->at("results"); aws->create_input_field(AWAR_NN_MAX_HITS, 3); aws->at("hit_count"); aws->create_button(0, AWAR_NN_HIT_COUNT, 0, "+"); aws->at("hits"); AW_selection_list *id = aws->create_selection_list(AWAR_SPECIES_NAME); aws->insert_default_selection(id,"No hits found",""); aws->update_selection_list(id); aws->at("go"); aws->callback(awtc_nn_search,(AW_CL)id); aws->create_button("SEARCH","SEARCH"); aws->at("move"); aws->callback(awtc_move_hits, (AW_CL)id, cbs); aws->create_button("MOVE_TO_HITLIST","MOVE TO HITLIST"); } return aws; } // ----------------------------------------------------------------------------------------------------------------- // void NT_detach_information_window(AW_window *aww, AW_CL cl_pointer_to_aww, AW_CL cl_Awar_Callback_Info) // ----------------------------------------------------------------------------------------------------------------- void NT_detach_information_window(AW_window *aww, AW_CL cl_pointer_to_aww, AW_CL cl_AW_detach_information) { AW_window **aww_pointer = (AW_window**)cl_pointer_to_aww; AW_detach_information *di = (AW_detach_information*)cl_AW_detach_information; Awar_Callback_Info *cb_info = di->get_cb_info(); AW_root *awr = cb_info->get_root(); char *curr_species = awr->awar(cb_info->get_org_awar_name())->read_string(); if (*aww_pointer == aww) { // first click on detach-button // create unique awar : static int detach_counter = 0; char new_awar[100]; sprintf(new_awar, "tmp/DETACHED_INFO_%i", detach_counter++); awr->awar_string(new_awar, "", AW_ROOT_DEFAULT); cb_info->remap(new_awar); // remap the callback from old awar to new unique awar aww->update_label((int*)di->get_detach_button(), "GET"); *aww_pointer = 0; // caller window will be recreated on next open after clearing this pointer // [Note : the aww_pointer points to the static window pointer] } awr->awar(cb_info->get_awar_name())->write_string(curr_species); aww->set_window_title(GBS_global_string("%s INFORMATION", curr_species)); free(curr_species); } AW_window *create_speciesOrganismWindow(AW_root *aw_root, bool organismWindow) { int windowIdx = (int)organismWindow; static AW_window_simple_menu *AWS[2] = { 0, 0 }; if (AWS[windowIdx]) { return (AW_window *)AWS[windowIdx]; // already created (and not detached) } AW_window_simple_menu *& aws = AWS[windowIdx]; aws = new AW_window_simple_menu; if (organismWindow) aws->init( aw_root, "ORGANISM_INFORMATION", "ORGANISM INFORMATION"); else aws->init( aw_root, "SPECIES_INFORMATION", "SPECIES INFORMATION"); aws->load_xfig("ad_spec.fig"); aws->button_length(8); aws->at("close"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("search"); aws->callback(AW_POPUP, (AW_CL)ad_create_query_window, 0); aws->create_button("SEARCH","SEARCH","S"); aws->at("help"); aws->callback(AW_POPUP_HELP, (AW_CL)"sp_info.hlp"); aws->create_button("HELP","HELP","H"); AW_CL scannerid = awt_create_arbdb_scanner(GLOBAL_gb_main, aws, "box",0,"field","enable",AWT_VIEWER,0,"mark",AWT_NDS_FILTER, organismWindow ? &AWT_organism_selector : &AWT_species_selector); ad_global_scannerid = scannerid; ad_global_scannerroot = aws->get_root(); if (organismWindow) aws->create_menu("ORGANISM", "O", "spa_organism.hlp", AWM_ALL ); else aws->create_menu("SPECIES", "S", "spa_species.hlp", AWM_ALL ); aws->insert_menu_topic("species_delete", "Delete", "D","spa_delete.hlp", AWM_ALL, ad_species_delete_cb, 0, 0); aws->insert_menu_topic("species_rename", "Rename", "R","spa_rename.hlp", AWM_ALL, ad_species_rename_cb, 0, 0); aws->insert_menu_topic("species_copy", "Copy", "y","spa_copy.hlp", AWM_ALL, ad_species_copy_cb, 0, 0); aws->insert_menu_topic("species_create", "Create", "C","spa_create.hlp", AWM_ALL, AW_POPUP, (AW_CL)create_species_create_window, 0); aws->insert_menu_topic("species_convert_2_sai", "Convert to SAI","S","sp_sp_2_ext.hlp",AWM_ALL, (AW_CB)move_species_to_extended, 0, 0); aws->insert_separator(); aws->create_menu("FIELDS", "F", "spa_fields.hlp", AWM_ALL ); ad_spec_create_field_items(aws); { const char *awar_name = (bool)organismWindow ? AWAR_ORGANISM_NAME : AWAR_SPECIES_NAME; AW_root *awr = aws->get_root(); Awar_Callback_Info *cb_info = new Awar_Callback_Info(awr, awar_name, AD_map_species, (AW_CL)scannerid, (AW_CL)organismWindow); // do not delete! cb_info->add_callback(); AW_detach_information *detach_info = new AW_detach_information(cb_info); // do not delete! aws->at("detach"); aws->callback(NT_detach_information_window, (AW_CL)&aws, (AW_CL)detach_info); aws->create_button("DETACH", "DETACH", "D"); detach_info->set_detach_button(aws->get_last_widget()); } aws->show(); AD_map_species(aws->get_root(),scannerid, (AW_CL)organismWindow); return (AW_window *)aws; } AW_window *NT_create_species_window(AW_root *aw_root) { return create_speciesOrganismWindow(aw_root, false); } AW_window *NT_create_organism_window(AW_root *aw_root) { return create_speciesOrganismWindow(aw_root, true); } AW_CL ad_query_global_cbs = 0; void ad_unquery_all(){ awt_unquery_all(0,(struct adaqbsstruct *)ad_query_global_cbs); } void ad_query_update_list(){ awt_query_update_list(NULL,(struct adaqbsstruct *)ad_query_global_cbs); } AW_window *ad_create_query_window(AW_root *aw_root) { static AW_window_simple_menu *aws = 0; if (aws){ return (AW_window *)aws; } aws = new AW_window_simple_menu; aws->init( aw_root, "SPECIES_QUERY", "SEARCH and QUERY"); aws->create_menu("More functions","f"); aws->load_xfig("ad_query.fig"); awt_query_struct awtqs; awtqs.gb_main = GLOBAL_gb_main; awtqs.species_name = AWAR_SPECIES_NAME; awtqs.tree_name = AWAR_TREE; awtqs.select_bit = 1; awtqs.use_menu = 1; awtqs.ere_pos_fig = "ere2"; awtqs.by_pos_fig = "by2"; awtqs.qbox_pos_fig = "qbox"; awtqs.rescan_pos_fig = 0; awtqs.key_pos_fig = 0; awtqs.query_pos_fig = "content"; awtqs.result_pos_fig = "result"; awtqs.count_pos_fig = "count"; awtqs.do_query_pos_fig = "doquery"; awtqs.config_pos_fig = "doconfig"; awtqs.do_mark_pos_fig = "domark"; awtqs.do_unmark_pos_fig = "dounmark"; awtqs.do_delete_pos_fig = "dodelete"; awtqs.do_set_pos_fig = "doset"; awtqs.do_refresh_pos_fig = "dorefresh"; awtqs.open_parser_pos_fig = "openparser"; awtqs.create_view_window = (AW_CL)NT_create_species_window; awtqs.selector = &AWT_species_selector; AW_CL cbs = (AW_CL)awt_create_query_box(aws, &awtqs, "spec"); ad_query_global_cbs = cbs; aws->create_menu("More search", "s" ); aws->insert_menu_topic("spec_search_equal_fields_within_db","Search For Equal Fields and Mark Duplicates", "E", "search_duplicates.hlp", AWM_ALL, (AW_CB)awt_search_equal_entries, cbs, 0); aws->insert_menu_topic("spec_search_equal_words_within_db", "Search For Equal Words Between Fields and Mark Duplicates", "W", "search_duplicates.hlp", AWM_ALL, (AW_CB)awt_search_equal_entries, cbs, 1); aws->insert_menu_topic("spec_search_next_relativ_of_sel", "Search Next Relatives of SELECTED Species in PT_Server ...", "R", 0, AWM_ALL, (AW_CB)AW_POPUP, (AW_CL)ad_spec_next_neighbours_create, cbs); aws->insert_menu_topic("spec_search_next_relativ_of_listed","Search Next Relatives of LISTED Species in PT_Server ...", "L", 0, AWM_ALL, (AW_CB)AW_POPUP, (AW_CL)ad_spec_next_neighbours_listed_create, cbs); aws->button_length(7); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"sp_search.hlp"); aws->create_button("HELP","HELP","H"); return (AW_window *)aws; } ./arbsrc_9167/NTREE/ad_spec.hxx0000644012664100000130000000427311440743000016142 0ustar arb_buildcoders// ============================================================ // // // // File : ad_spec.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // www.arb-home.de // // // // ============================================================ // #ifndef AD_SPEC_HXX #define AD_SPEC_HXX #define AWAR_SPECIES_DEST "tmp/adspec/dest" #define AWAR_SPECIES_INFO "tmp/adspec/info" #define AWAR_SPECIES_KEY "tmp/adspec/key" #define AWAR_FIELD_CREATE_NAME "tmp/adfield/name" #define AWAR_FIELD_CREATE_TYPE "tmp/adfield/type" #define AWAR_FIELD_DELETE "tmp/adfield/source" #define AWAR_FIELD_CONVERT_SOURCE "tmp/adconvert/source" #define AWAR_FIELD_CONVERT_NAME "tmp/adconvert/name" #define AWAR_FIELD_CONVERT_TYPE "tmp/adconvert/type" #define AWAR_FIELD_REORDER_SOURCE "tmp/ad_reorder/source" #define AWAR_FIELD_REORDER_DEST "tmp/ad_reorder/dest" #ifndef AWT_HXX #include #endif void create_species_var(AW_root *aw_root, AW_default aw_def); AW_window *NT_create_species_window(AW_root *aw_root); AW_window *NT_create_organism_window(AW_root *aw_root); AW_window *ad_create_query_window(AW_root *aw_root); AW_window *create_speciesOrganismWindow(AW_root *aw_root, bool organismWindow); void ad_unquery_all(); void ad_query_update_list(); void ad_spec_create_field_items(AW_window *aws); void create_sai_from_pfold(AW_window *aww, AW_CL ntw, AW_CL); AW_window *NT_create_ad_list_reorder(AW_root *root, AW_CL cl_item_selector); AW_window *NT_create_ad_field_delete(AW_root *root, AW_CL cl_item_selector); AW_window *NT_create_ad_field_create(AW_root *root, AW_CL cl_item_selector); AW_window *NT_create_ad_field_convert(AW_root *root, AW_CL cl_item_selector); void NT_detach_information_window(AW_window *aww, AW_CL cl_pointer_to_aww, AW_CL cl_Awar_Callback_Info); #else #error ad_spec.hxx included twice #endif // AD_SPEC_HXX ./arbsrc_9167/NTREE/ad_transpro.cxx0000644012664100000130000007270412050705370017065 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #ifndef ARB_ASSERT_H #include #endif #define nt_assert(bed) arb_assert(bed) extern GBDATA *GLOBAL_gb_main; static GB_ERROR arb_r2a(GBDATA *gb_main, bool use_entries, bool save_entries, int selected_startpos, bool translate_all, const char *ali_source, const char *ali_dest) { // if use_entries == true -> use fields 'codon_start' and 'transl_table' for translation // (selected_startpos and AWAR_PROTEIN_TYPE are only used both fields are missing, // if only one is missing, now an error occurs) // if use_entries == false -> always use selected_startpos and AWAR_PROTEIN_TYPE // if translate_all == true -> a selected_startpos > 1 produces a leading 'X' in protein data // (otherwise nucleotides in front of the starting pos are simply ignored) nt_assert(selected_startpos >= 0 && selected_startpos < 3); GB_ERROR error = 0; char *to_free = 0; // check/create alignments { GBDATA *gb_source = GBT_get_alignment(gb_main,ali_source); if (!gb_source) { error = "Please select a valid source alignment"; } else { GBDATA *gb_dest = GBT_get_alignment(gb_main,ali_dest); if (!gb_dest) { const char *msg = GBS_global_string("You have not selected a destination alignment\n" "Shall I create one ('%s_pro') for you?", ali_source); if (!aw_ask_sure(msg)) { error = "Cancelled by user"; } else { long slen = GBT_get_alignment_len(gb_main,ali_source); to_free = GBS_global_string_copy("%s_pro",ali_source); ali_dest = to_free; gb_dest = GBT_create_alignment(gb_main, ali_dest, slen/3+1, 0, 1, "ami"); if (!gb_dest) error = GB_await_error(); else { char *fname = GBS_global_string_copy("%s/data",ali_dest); error = GBT_add_new_changekey(gb_main,fname,GB_STRING); free(fname); } } } } } int no_data = 0; // count species w/o data int spec_no_transl_info = 0; // counts species w/o or with illegal transl_table and/or codon_start int count = 0; // count translated species int stops = 0; // count overall stop codons int selected_ttable = -1; if (!error) { aw_openstatus("Translating"); int spec_count = GBT_get_species_count(gb_main); int spec_i = 0; bool table_used[AWT_CODON_TABLES]; memset(table_used, 0, sizeof(table_used)); selected_ttable = *GBT_read_int(gb_main, AWAR_PROTEIN_TYPE); // read selected table if (use_entries) { for (GBDATA *gb_species = GBT_first_marked_species(gb_main); gb_species && !error; gb_species = GBT_next_marked_species(gb_species) ) { int arb_table, codon_start; error = AWT_getTranslationInfo(gb_species, arb_table, codon_start); if (!error) { if (arb_table == -1) arb_table = selected_ttable; // no transl_table entry -> default to selected standard code table_used[arb_table] = true; } } } else { table_used[selected_ttable] = true; // and mark it used } for (int table = 0; table0) { aw_message(GBS_global_string("%i taxa had no data in '%s'", no_data, ali_source)); } if ((count+no_data) == 0) { aw_message("Please mark species to translate"); } else { aw_message(GBS_global_string("%i taxa converted\n %f stops per sequence found", count, (double)stops/(double)count)); } } free(to_free); return error; } #define AWAR_TRANSPRO_PREFIX "transpro/" #define AWAR_TRANSPRO_SOURCE AWAR_TRANSPRO_PREFIX "source" #define AWAR_TRANSPRO_DEST AWAR_TRANSPRO_PREFIX "dest" #define AWAR_TRANSPRO_POS AWAR_TRANSPRO_PREFIX "pos" #define AWAR_TRANSPRO_MODE AWAR_TRANSPRO_PREFIX "mode" #define AWAR_TRANSPRO_XSTART AWAR_TRANSPRO_PREFIX "xstart" #define AWAR_TRANSPRO_WRITE AWAR_TRANSPRO_PREFIX "write" void transpro_event(AW_window *aww) { GB_ERROR error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { #if defined(DEBUG) && 0 test_AWT_get_codons(); #endif AW_root *aw_root = aww->get_root(); char *ali_source = aw_root->awar(AWAR_TRANSPRO_SOURCE)->read_string(); char *ali_dest = aw_root->awar(AWAR_TRANSPRO_DEST)->read_string(); char *mode = aw_root->awar(AWAR_TRANSPRO_MODE)->read_string(); int startpos = aw_root->awar(AWAR_TRANSPRO_POS)->read_int(); bool save2fields = aw_root->awar(AWAR_TRANSPRO_WRITE)->read_int(); bool translate_all = aw_root->awar(AWAR_TRANSPRO_XSTART)->read_int(); error = arb_r2a(GLOBAL_gb_main, strcmp(mode, "fields") == 0, save2fields, startpos, translate_all, ali_source, ali_dest); if (!error) error = GBT_check_data(GLOBAL_gb_main,0); free(mode); free(ali_dest); free(ali_source); } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); } void nt_trans_cursorpos_changed(AW_root *awr) { int pos = awr->awar(AWAR_CURSOR_POSITION)->read_int()-1; pos = pos %3; awr->awar(AWAR_TRANSPRO_POS)->write_int(pos); } AW_window *NT_create_dna_2_pro_window(AW_root *root) { AWUSE(root); GB_transaction dummy(GLOBAL_gb_main); AW_window_simple *aws = new AW_window_simple; aws->init( root, "TRANSLATE_DNA_TO_PRO", "TRANSLATE DNA TO PRO"); // aws->auto_off(); aws->load_xfig("transpro.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"translate_dna_2_pro.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->at("source"); awt_create_selection_list_on_ad(GLOBAL_gb_main,(AW_window *)aws, AWAR_TRANSPRO_SOURCE,"dna=:rna="); aws->at("dest"); awt_create_selection_list_on_ad(GLOBAL_gb_main,(AW_window *)aws, AWAR_TRANSPRO_DEST,"pro=:ami="); root->awar_int(AWAR_PROTEIN_TYPE, AWAR_PROTEIN_TYPE_bacterial_code_index, GLOBAL_gb_main); aws->at("table"); aws->create_option_menu(AWAR_PROTEIN_TYPE); for (int code_nr=0; code_nrinsert_option(AWT_get_codon_code_name(code_nr), "", code_nr); } aws->update_option_menu(); aws->at("mode"); aws->create_toggle_field(AWAR_TRANSPRO_MODE,0,""); aws->insert_toggle( "from fields 'codon_start' and 'transl_table'", "", "fields" ); aws->insert_default_toggle( "use settings below (same for all species):", "", "settings" ); aws->update_toggle_field(); aws->at("pos"); aws->create_option_menu(AWAR_TRANSPRO_POS,0,""); aws->insert_option( "1", "1", 0 ); aws->insert_option( "2", "2", 1 ); aws->insert_option( "3", "3", 2 ); aws->update_option_menu(); aws->get_root()->awar_int(AWAR_CURSOR_POSITION)->add_callback(nt_trans_cursorpos_changed); aws->at("write"); aws->label("Save settings (to 'codon_start'+'transl_table')"); aws->create_toggle(AWAR_TRANSPRO_WRITE); aws->at("start"); aws->label("Translate all data"); aws->create_toggle(AWAR_TRANSPRO_XSTART); aws->at("translate"); aws->callback(transpro_event); aws->highlight(); aws->create_button("TRANSLATE","TRANSLATE","T"); aws->window_fit(); return (AW_window *)aws; } // Realign a dna alignment with a given protein source static int synchronizeCodons(const char *proteins, const char *dna, int minCatchUp, int maxCatchUp, int *foundCatchUp, const AWT_allowedCode& initially_allowed_code, AWT_allowedCode& allowed_code_left) { for (int catchUp=minCatchUp; catchUp<=maxCatchUp; catchUp++) { const char *dna_start = dna+catchUp; AWT_allowedCode allowed_code; allowed_code = initially_allowed_code; for (int p=0; ; p++) { char prot = proteins[p]; if (!prot) { // all proteins were synchronized *foundCatchUp = catchUp; return 1; } if (!AWT_is_codon(prot, dna_start, allowed_code, allowed_code_left)) break; allowed_code = allowed_code_left; // if synchronized: use left codes as allowed codes! dna_start += 3; } } return 0; } #define SYNC_LENGTH 4 // every X in amino-alignment, it represents 1 to 3 bases in DNA-Alignment // SYNC_LENGTH is the # of codons which will be synchronized (ahead!) // before deciding "X was realigned correctly" static GB_ERROR arb_transdna(GBDATA *gb_main, char *ali_source, char *ali_dest, long *neededLength) { AWT_initialize_codon_tables(); GBDATA *gb_source = GBT_get_alignment(gb_main,ali_source); if (!gb_source) return "Please select a valid source alignment"; GBDATA *gb_dest = GBT_get_alignment(gb_main,ali_dest); if (!gb_dest) return "Please select a valid destination alignment"; long ali_len = GBT_get_alignment_len(gb_main,ali_dest); long max_wanted_ali_len = 0; GB_ERROR error = 0; aw_openstatus("Re-aligner"); int no_of_marked_species = GBT_count_marked_species(gb_main); int no_of_realigned_species = 0; int ignore_fail_pos = 0; for (GBDATA *gb_species = GBT_first_marked_species(gb_main); !error && gb_species; gb_species = GBT_next_marked_species(gb_species)) { aw_status(GBS_global_string("Re-aligning #%i of %i ...", no_of_realigned_species+1, no_of_marked_species)); gb_source = GB_entry(gb_species, ali_source); if (!gb_source) continue; GBDATA *gb_source_data = GB_entry(gb_source, "data") ; if (!gb_source_data) continue; gb_dest = GB_entry(gb_species, ali_dest) ; if (!gb_dest) continue; GBDATA *gb_dest_data = GB_entry(gb_dest, "data") ; if (!gb_dest_data) continue; char *source = GB_read_string(gb_source_data); if (!source) { GB_print_error(); continue; } char *dest = GB_read_string(gb_dest_data); if (!dest) { GB_print_error(); continue; } long source_len = GB_read_string_count(gb_source_data); long dest_len = GB_read_string_count(gb_dest_data); // compress destination DNA (=remove align-characters): char *compressed_dest = (char*)malloc(dest_len+1); { char *f = dest; char *t = compressed_dest; while (1) { char c = *f++; if (!c) break; if (c!='.' && c!='-') *t++ = c; } *t = 0; } int failed = 0; const char *fail_reason = 0; long wanted_ali_len = source_len*3L; char *buffer = (char*)malloc(ali_len+1); if (ali_lenmax_wanted_ali_len) max_wanted_ali_len = wanted_ali_len; } AWT_allowedCode allowed_code; // default = all allowed if (!failed) { int arb_transl_table, codon_start; GB_ERROR local_error = AWT_getTranslationInfo(gb_species, arb_transl_table, codon_start); if (local_error) { failed = 1; fail_reason = GBS_global_string("Error while reading 'transl_table' (%s)", local_error); ignore_fail_pos = 1; } else if (arb_transl_table >= 0) { // we found a 'transl_table' entry -> restrict used code to the code stored there allowed_code.forbidAllBut(arb_transl_table); } } char *d = compressed_dest; char *s = source; if (!failed) { char *p = buffer; int x_count = 0; const char *x_start = 0; for (;;) { char c = *s++; if (!c) { if (x_count) { int off = -(x_count*3); while (d[0]) { p[off++] = *d++; } } break; } if (c=='.' || c=='-') { p[0] = p[1] = p[2] = c; p += 3; } else if (toupper(c)=='X') { // one X represents 1 to 3 DNAs x_start = s-1; x_count = 1; int gap_count = 0; for (;;) { char c2 = toupper(s[0]); if (c2=='X') { x_count++; } else { if (c2!='.' && c2!='-') break; gap_count++; } s++; } int setgap = (x_count+gap_count)*3; memset(p, '.', setgap); p += setgap; } else { AWT_allowedCode allowed_code_left; if (x_count) { // synchronize char protein[SYNC_LENGTH+1]; int count; { int off; protein[0] = toupper(c); for (count=1,off=0; count=1); protein[count] = 0; int catchUp; if (count1) { delete sync_possible_with_catchup; failed = 1; fail_reason = "Not enough data behind 'X' (please contact ARB-Support)"; break; } nt_assert(sync_possibilities==1); catchUp = sync_possible_with_catchup[0]; delete sync_possible_with_catchup; } else if (!synchronizeCodons(protein, d, x_count, x_count*3, &catchUp, allowed_code, allowed_code_left)) { failed = 1; fail_reason = "Can't synchronize after 'X'"; break; } allowed_code = allowed_code_left; // copy 'catchUp' characters (they are the content of the found Xs): { const char *after = s-1; const char *i; int off = int(after-x_start); nt_assert(off>=x_count); off = -(off*3); int x_rest = x_count; for (i=x_start; i= 0) { // we know the exact code -> write codon_start and transl_table const int codon_start = 1; // by definition (after realignment) error = AWT_saveTranslationInfo(gb_species, explicit_table_known, codon_start); } else { // we dont know the exact code -> delete codon_start and transl_table error = AWT_removeTranslationInfo(gb_species); } } } free(buffer); free(compressed_dest); free(dest); free(source); no_of_realigned_species++; GB_status(double(no_of_realigned_species)/double(no_of_marked_species)); } aw_closestatus(); *neededLength = max_wanted_ali_len; if (!error) { int not_realigned = no_of_marked_species - no_of_realigned_species; if (not_realigned>0) { aw_message(GBS_global_string("Did not try to realign %i species (source/dest alignment missing?)", not_realigned)); } } if (!error) error = GBT_check_data(gb_main,ali_dest); return error; } #undef SYNC_LENGTH void transdna_event(AW_window *aww) { AW_root *aw_root = aww->get_root(); char *ali_source = aw_root->awar(AWAR_TRANSPRO_DEST)->read_string(); char *ali_dest = aw_root->awar(AWAR_TRANSPRO_SOURCE)->read_string(); long neededLength = -1; bool retrying = false; GB_ERROR error = 0; while (!error && neededLength) { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) error = arb_transdna(GLOBAL_gb_main,ali_source,ali_dest, &neededLength); error = GB_end_transaction(GLOBAL_gb_main, error); if (!error && neededLength>0) { if (retrying || !aw_ask_sure(GBS_global_string("Increase length of '%s' to %li?", ali_dest, neededLength))) { error = GBS_global_string("Missing %li columns in alignment '%s'", neededLength, ali_dest); } else { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) error = GBT_set_alignment_len(GLOBAL_gb_main, ali_dest, neededLength); // @@@ has no effect ? ? why ? error = GB_end_transaction(GLOBAL_gb_main, error); if (!error) { aw_message(GBS_global_string("Alignment length of '%s' has been set to %li\n" "running re-aligner again!", ali_dest, neededLength)); retrying = true; neededLength = -1; } } } } if (error) aw_message(error); free(ali_dest); free(ali_source); } AW_window *NT_create_realign_dna_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "REALIGN_DNA", "REALIGN DNA"); aws->load_xfig("transdna.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"realign_dna.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->at("source"); awt_create_selection_list_on_ad(GLOBAL_gb_main,(AW_window *)aws, AWAR_TRANSPRO_SOURCE,"dna=:rna="); aws->at("dest"); awt_create_selection_list_on_ad(GLOBAL_gb_main,(AW_window *)aws, AWAR_TRANSPRO_DEST,"pro=:ami="); aws->at("realign"); aws->callback(transdna_event); aws->highlight(); aws->create_button("REALIGN","REALIGN","T"); return (AW_window *)aws; } void create_transpro_menus(AW_window *awmm) { awmm->insert_menu_topic("dna_2_pro", "Translate Nucleic to Amino Acid ...", "T", "translate_dna_2_pro.hlp", AWM_ALL, AW_POPUP, (AW_CL)NT_create_dna_2_pro_window, 0); awmm->insert_menu_topic("realign_dna", "Realign Nucleic Acid according to Aligned Protein ...", "r", "realign_dna.hlp", AWM_ALL, AW_POPUP, (AW_CL)NT_create_realign_dna_window, 0); } void NT_create_transpro_variables(AW_root *root,AW_default db1) { root->awar_string(AWAR_TRANSPRO_SOURCE, "", db1); root->awar_string(AWAR_TRANSPRO_DEST, "", db1); root->awar_string(AWAR_TRANSPRO_MODE, "settings", db1); root->awar_int(AWAR_TRANSPRO_POS, 0, db1); root->awar_int(AWAR_TRANSPRO_XSTART, 1, db1); root->awar_int(AWAR_TRANSPRO_WRITE, 0, db1); } ./arbsrc_9167/NTREE/ad_trees.cxx0000644012664100000130000007136411440743000016332 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "ad_trees.hxx" #ifndef ARB_ASSERT_H #include #endif #define nt_assert(bed) arb_assert(bed) extern GBDATA *GLOBAL_gb_main; const char *AWAR_TREE_DEST = "tmp/ad_tree/tree_dest"; const char *AWAR_TREE_SECURITY = "tmp/ad_tree/tree_security"; const char *AWAR_TREE_REM = "tmp/ad_tree/tree_rem"; #define AWAR_TREE_EXPORT "tmp/ad_tree/export_tree" #define AWAR_TREE_IMPORT "tmp/ad_tree/import_tree" #define AWAR_NODE_INFO_ONLY_MARKED "tmp/ad_tree/import_only_marked_node_info" #define AWAR_TREE_EXPORT_SAVE "ad_tree/export_tree" #define AWAR_TREE_EXPORT_FILTER AWAR_TREE_EXPORT "/filter" #define AWAR_TREE_EXPORT_FORMAT AWAR_TREE_EXPORT_SAVE "/format" #define AWAR_TREE_EXPORT_NDS AWAR_TREE_EXPORT_SAVE "/NDS" #define AWAR_TREE_EXPORT_INCLUDE_BOOTSTRAPS AWAR_TREE_EXPORT_SAVE "/bootstraps" #define AWAR_TREE_EXPORT_INCLUDE_BRANCHLENS AWAR_TREE_EXPORT_SAVE "/branchlens" #define AWAR_TREE_EXPORT_INCLUDE_GROUPNAMES AWAR_TREE_EXPORT_SAVE "/groupnames" #define AWAR_TREE_EXPORT_HIDE_FOLDED_GROUPS AWAR_TREE_EXPORT_SAVE "/hide_folded" #define AWAR_TREE_EXPORT_QUOTEMODE AWAR_TREE_EXPORT_SAVE "/quote_mode" #define AWAR_TREE_EXPORT_REPLACE AWAR_TREE_EXPORT_SAVE "/replace" void tree_vars_callback(AW_root *aw_root) // Map tree vars to display objects { if (GLOBAL_gb_main) { GB_push_transaction(GLOBAL_gb_main); char *treename = aw_root->awar(AWAR_TREE_NAME)->read_string(); GBDATA *ali_cont = GBT_get_tree(GLOBAL_gb_main,treename); if (!ali_cont) { aw_root->awar(AWAR_TREE_SECURITY)->unmap(); aw_root->awar(AWAR_TREE_REM)->unmap(); }else{ GBDATA *tree_prot = GB_search(ali_cont,"security", GB_FIND); if (!tree_prot) GBT_readOrCreate_int(ali_cont,"security", GB_read_security_write(ali_cont)); tree_prot = GB_search(ali_cont,"security", GB_INT); GBDATA *tree_rem = GB_search(ali_cont,"remark", GB_STRING); aw_root->awar(AWAR_TREE_SECURITY)->map(tree_prot); aw_root->awar(AWAR_TREE_REM) ->map(tree_rem); } char *suffix = aw_root->awar(AWAR_TREE_EXPORT_FILTER)->read_string(); char *fname = GBS_string_eval(treename,GBS_global_string("*=*1.%s:tree_*=*1", suffix),0); aw_root->awar(AWAR_TREE_EXPORT "/file_name")->write_string(fname); // create default file name free(fname); free(suffix); GB_pop_transaction(GLOBAL_gb_main); free(treename); } } /* update import tree name depending on file name */ void tree_import_callback(AW_root *aw_root) { GB_transaction dummy(GLOBAL_gb_main); char *treename = aw_root->awar(AWAR_TREE_IMPORT "/file_name")->read_string(); char *treename_nopath = strrchr(treename, '/'); if (treename_nopath) { ++treename_nopath; } else { treename_nopath = treename; } char *fname = GBS_string_eval(treename_nopath,"*.tree=tree_*1:*.ntree=tree_*1:*.xml=tree_*1:.=",0); aw_root->awar(AWAR_TREE_IMPORT "/tree_name")->write_string(fname); free(fname); free(treename); } void ad_tree_set_security(AW_root *aw_root) { if (GLOBAL_gb_main) { GB_transaction dummy(GLOBAL_gb_main); char *treename = aw_root->awar(AWAR_TREE_NAME)->read_string(); GBDATA *ali_cont = GBT_get_tree(GLOBAL_gb_main,treename); if (ali_cont) { long prot = aw_root->awar(AWAR_TREE_SECURITY)->read_int(); long old; old = GB_read_security_delete(ali_cont); GB_ERROR error = 0; if (old != prot){ error = GB_write_security_delete(ali_cont,prot); if (!error) error = GB_write_security_write(ali_cont,prot); } if (error ) aw_message(error); } free(treename); } } enum ExportTreeType { AD_TREE_EXPORT_FORMAT_NEWICK, AD_TREE_EXPORT_FORMAT_XML, AD_TREE_EXPORT_FORMAT_NEWICK_PRETTY, }; enum ExportNodeType { AD_TREE_EXPORT_NODE_SPECIES_NAME, AD_TREE_EXPORT_NODE_NDS }; void update_filter_cb(AW_root *root){ const char *filter_type = 0; switch (ExportTreeType(root->awar(AWAR_TREE_EXPORT_FORMAT)->read_int())) { case AD_TREE_EXPORT_FORMAT_XML: filter_type = "xml"; break; case AD_TREE_EXPORT_FORMAT_NEWICK: case AD_TREE_EXPORT_FORMAT_NEWICK_PRETTY: switch (ExportNodeType(root->awar(AWAR_TREE_EXPORT_NDS)->read_int())) { case AD_TREE_EXPORT_NODE_SPECIES_NAME: filter_type = "tree"; break; case AD_TREE_EXPORT_NODE_NDS: filter_type = "ntree"; break; default: nt_assert(0); break; } break; default: nt_assert(0); break; } nt_assert(filter_type); root->awar(AWAR_TREE_EXPORT_FILTER)->write_string(filter_type); } void create_trees_var(AW_root *aw_root, AW_default aw_def) { AW_awar *awar_tree_name = aw_root->awar_string( AWAR_TREE_NAME, 0, aw_def )->set_srt( GBT_TREE_AWAR_SRT); aw_root->awar_string( AWAR_TREE_DEST, 0, aw_def ) ->set_srt( GBT_TREE_AWAR_SRT); aw_root->awar_int( AWAR_TREE_SECURITY, 0, aw_def ); aw_root->awar_string( AWAR_TREE_REM, 0, aw_def ); aw_create_selection_box_awars(aw_root, AWAR_TREE_EXPORT, "", ".tree", "treefile", aw_def); aw_root->awar_int(AWAR_TREE_EXPORT_FORMAT, AD_TREE_EXPORT_FORMAT_NEWICK, aw_def)-> add_callback(update_filter_cb); aw_root->awar_int(AWAR_TREE_EXPORT_NDS , AD_TREE_EXPORT_NODE_SPECIES_NAME, aw_def)-> add_callback(update_filter_cb); aw_root->awar_int(AWAR_TREE_EXPORT_INCLUDE_BOOTSTRAPS , 0, aw_def); aw_root->awar_int(AWAR_TREE_EXPORT_INCLUDE_BRANCHLENS , 1, aw_def); aw_root->awar_int(AWAR_TREE_EXPORT_HIDE_FOLDED_GROUPS , 0, aw_def); aw_root->awar_int(AWAR_TREE_EXPORT_INCLUDE_GROUPNAMES , 1, aw_def); aw_root->awar_int(AWAR_TREE_EXPORT_QUOTEMODE, TREE_SINGLE_QUOTES, aw_def); // old default behavior aw_root->awar_int(AWAR_TREE_EXPORT_REPLACE, 0, aw_def); // old default behavior aw_create_selection_box_awars(aw_root, AWAR_TREE_IMPORT, "", ".tree", "treefile", aw_def); aw_root->awar_string( AWAR_TREE_IMPORT "/tree_name", "tree_", aw_def) ->set_srt( GBT_TREE_AWAR_SRT); aw_root->awar(AWAR_TREE_IMPORT "/file_name")->add_callback( tree_import_callback); awar_tree_name->add_callback( tree_vars_callback); awar_tree_name->map(AWAR_TREE); aw_root->awar(AWAR_TREE_SECURITY)->add_callback( ad_tree_set_security); aw_root->awar_int( AWAR_NODE_INFO_ONLY_MARKED, 0, aw_def); update_filter_cb(aw_root); tree_vars_callback(aw_root); } void tree_rename_cb(AW_window *aww) { char *source = aww->get_root()->awar(AWAR_TREE_NAME)->read_string(); char *dest = aww->get_root()->awar(AWAR_TREE_DEST)->read_string(); GB_ERROR error = GBT_check_tree_name(dest); if (!error) { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_tree_data = GB_search(GLOBAL_gb_main, "tree_data", GB_CREATE_CONTAINER); if (!gb_tree_data) error = GB_await_error(); else { GBDATA *gb_tree_name = GB_entry(gb_tree_data, source); GBDATA *gb_dest = GB_entry(gb_tree_data, dest); if (gb_dest) error = GBS_global_string("Tree '%s' already exists", dest); else if (!gb_tree_name) error = "Please select a tree"; else { GBDATA *gb_new_tree = GB_create_container(gb_tree_data, dest); if (!gb_new_tree) error = GB_await_error(); else { error = GB_copy(gb_new_tree, gb_tree_name); if (!error) error = GB_delete(gb_tree_name); } } } } error = GB_end_transaction(GLOBAL_gb_main, error); } aww->hide_or_notify(error); free(dest); free(source); } static GB_ERROR tree_append_remark(GBDATA *gb_tree, const char *add_to_remark) { GB_ERROR error = 0; GBDATA *gb_remark = GB_search(gb_tree, "remark", GB_STRING); if (!gb_remark) error = GB_await_error(); else { char *old_remark = GB_read_string(gb_remark); if (!old_remark) error = GB_await_error(); else { GBS_strstruct *new_remark = GBS_stropen(2000); GBS_strcat(new_remark, old_remark); GBS_chrcat(new_remark, '\n'); GBS_strcat(new_remark, add_to_remark); error = GB_write_string(gb_remark, GBS_mempntr(new_remark)); GBS_strforget(new_remark); } free(old_remark); } return error; } void tree_copy_cb(AW_window *aww) { char *source = aww->get_root()->awar(AWAR_TREE_NAME)->read_string(); char *dest = aww->get_root()->awar(AWAR_TREE_DEST)->read_string(); GB_ERROR error = GBT_check_tree_name(dest); if (!error) { error = GB_begin_transaction(GLOBAL_gb_main); if (!error) { GBDATA *gb_tree_data = GB_search(GLOBAL_gb_main, "tree_data", GB_CREATE_CONTAINER); if (!gb_tree_data) error = GB_await_error(); else { GBDATA *gb_tree_name = GB_entry(gb_tree_data, source); GBDATA *gb_dest = GB_entry(gb_tree_data, dest); if (gb_dest) error = GBS_global_string("Tree '%s' already exists", dest); else if (!gb_tree_name) error = "Please select a tree"; else { gb_dest = GB_create_container(gb_tree_data, dest); if (!gb_dest) error = GB_await_error(); else { error = GB_copy(gb_dest, gb_tree_name); if (!error) error = tree_append_remark(gb_dest, GBS_global_string("[created as copy of '%s']", source)); } } } } error = GB_end_transaction(GLOBAL_gb_main, error); } aww->hide_or_notify(error); free(dest); free(source); } static void tree_save_cb(AW_window *aww){ AW_root *aw_root = aww->get_root(); char *tree_name = aw_root->awar(AWAR_TREE_NAME)->read_string(); GB_ERROR error = 0; if (!tree_name || !strlen(tree_name)) { error = "Please select a tree first"; } else { char *fname = aw_root->awar(AWAR_TREE_EXPORT "/file_name")->read_string(); char *db_name = aw_root->awar(AWAR_DB_NAME)->read_string(); bool use_NDS = ExportNodeType(aw_root->awar(AWAR_TREE_EXPORT_NDS)->read_int()) == AD_TREE_EXPORT_NODE_NDS; ExportTreeType exportType = static_cast(aw_root->awar(AWAR_TREE_EXPORT_FORMAT)->read_int()); TREE_node_text_gen *node_gen = use_NDS ? new TREE_node_text_gen(make_node_text_init, make_node_text_nds) : 0; switch (exportType) { case AD_TREE_EXPORT_FORMAT_XML: error = TREE_write_XML(GLOBAL_gb_main, db_name, tree_name, node_gen, aw_root->awar(AWAR_TREE_EXPORT_HIDE_FOLDED_GROUPS)->read_int(), fname); break; case AD_TREE_EXPORT_FORMAT_NEWICK: case AD_TREE_EXPORT_FORMAT_NEWICK_PRETTY: TREE_node_quoting quoteMode = TREE_node_quoting(aw_root->awar(AWAR_TREE_EXPORT_QUOTEMODE)->read_int()); if (aw_root->awar(AWAR_TREE_EXPORT_REPLACE)->read_int()) { quoteMode = TREE_node_quoting(quoteMode|TREE_FORCE_REPLACE); } error = TREE_write_Newick(GLOBAL_gb_main, tree_name, node_gen, aw_root->awar(AWAR_TREE_EXPORT_INCLUDE_BRANCHLENS)->read_int(), aw_root->awar(AWAR_TREE_EXPORT_INCLUDE_BOOTSTRAPS)->read_int(), aw_root->awar(AWAR_TREE_EXPORT_INCLUDE_GROUPNAMES)->read_int(), exportType == AD_TREE_EXPORT_FORMAT_NEWICK_PRETTY, quoteMode, fname); break; } awt_refresh_selection_box(aw_root, AWAR_TREE_EXPORT); delete node_gen; free(db_name); free(fname); } aww->hide_or_notify(error); free(tree_name); } AW_window *create_tree_export_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "SAVE_TREE", "TREE SAVE"); aws->load_xfig("sel_box.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback(AW_POPUP_HELP,(AW_CL)"tr_export.hlp"); aws->create_button("HELP","HELP","H"); aws->at("user"); aws->create_option_menu(AWAR_TREE_EXPORT_FORMAT,0,0); aws->insert_option("NEWICK TREE FORMAT", "N", AD_TREE_EXPORT_FORMAT_NEWICK); aws->insert_option("NEWICK TREE FORMAT (pretty, but big)", "P", AD_TREE_EXPORT_FORMAT_NEWICK_PRETTY); aws->insert_option("ARB_XML TREE FORMAT", "X", AD_TREE_EXPORT_FORMAT_XML); aws->update_option_menu(); awt_create_selection_box((AW_window *)aws,AWAR_TREE_EXPORT ""); aws->at("user2"); aws->auto_space(10, 10); aws->label("Nodetype"); aws->create_toggle_field(AWAR_TREE_EXPORT_NDS, 1); aws->insert_default_toggle("Species name", "S", 0); aws->insert_toggle("NDS", "N", 1); aws->update_toggle_field(); aws->at_newline(); aws->label("Save branch lengths"); aws->create_toggle(AWAR_TREE_EXPORT_INCLUDE_BRANCHLENS); aws->at_newline(); aws->label("Save bootstrap values"); aws->create_toggle(AWAR_TREE_EXPORT_INCLUDE_BOOTSTRAPS); aws->at_newline(); aws->label("Save group names"); aws->create_toggle(AWAR_TREE_EXPORT_INCLUDE_GROUPNAMES); aws->at_newline(); aws->label("Hide folded groups (XML only)"); aws->create_toggle(AWAR_TREE_EXPORT_HIDE_FOLDED_GROUPS); aws->at_newline(); aws->label("Name quoting (Newick only)"); aws->create_option_menu(AWAR_TREE_EXPORT_QUOTEMODE,0,0); aws->insert_option("none", "n", TREE_DISALLOW_QUOTES); aws->insert_option("single", "s", TREE_SINGLE_QUOTES); aws->insert_option("double", "d", TREE_DOUBLE_QUOTES); aws->insert_option("single (forced)", "i", TREE_SINGLE_QUOTES|TREE_FORCE_QUOTES); aws->insert_option("double (forced)", "o", TREE_DOUBLE_QUOTES|TREE_FORCE_QUOTES); aws->update_option_menu(); aws->at_newline(); aws->label("Replace problem chars"); aws->create_toggle(AWAR_TREE_EXPORT_REPLACE); aws->at_newline(); aws->callback(tree_save_cb); aws->create_button("SAVE","SAVE","o"); aws->callback( (AW_CB0)AW_POPDOWN); aws->create_button("CANCEL","CANCEL","C"); aws->window_fit(); update_filter_cb(root); return (AW_window *)aws; } char *readXmlTree(char *fname) { //create a temp file char tempFile[] = "newickXXXXXX"; int createTempFile = mkstemp(tempFile); if(createTempFile) { char *tmpFname = strdup(fname); char *tmp = 0; GBS_strstruct *buf = GBS_stropen(strlen(fname)); // extract path from fname inorder to place a copy of dtd file required to validate xml file for (char *tok = strtok(tmpFname,"/"); tok; ) { tmp = tok; tok = strtok(0,"/"); if (tok) { GBS_strcat(buf,"/"); GBS_strcat(buf,tmp); } } char *path = GBS_strclose(buf); // linking arb_tree.dtd file to the Path from where xml file is loaded #if defined(DEVEL_RALF) #warning fix hack #endif // DEVEL_RALF char *command = GBS_global_string_copy("ln -s %s/lib/dtd/arb_tree.dtd %s/.", GB_getenvARBHOME(), path); GB_xcmd(command, GB_FALSE, GB_TRUE); //execute xml2newick to convert xml format tree to newick format tree command = GBS_global_string_copy("xml2newick %s %s", fname, tempFile); GB_xcmd(command, GB_FALSE, GB_TRUE); free(command); free(path); // return newick format tree file return strdup(tempFile); } else { printf("Failed to create Temporary File to Parse xml file!\n"); return 0; } } void tree_load_cb(AW_window *aww){ GB_ERROR error = 0; AW_root *aw_root = aww->get_root(); char *tree_name = aw_root->awar(AWAR_TREE_IMPORT "/tree_name")->read_string(); { char *pcTreeFormat = aw_root->awar(AWAR_TREE_IMPORT "/filter")->read_string(); char *fname = aw_root->awar(AWAR_TREE_IMPORT "/file_name")->read_string(); char *scaleWarning = 0; char *tree_comment = 0; GBT_TREE *tree; if (strcmp(pcTreeFormat,"xml") == 0) { char *tempFname = readXmlTree(fname); tree = TREE_load(tempFname,sizeof(GBT_TREE), &tree_comment, 1, &scaleWarning); GB_unlink_or_warn(tempFname, NULL); free(tempFname); } else { tree = TREE_load(fname,sizeof(GBT_TREE), &tree_comment, 1, &scaleWarning); } if (!tree) error = GB_await_error(); else { if (scaleWarning) GBT_message(GLOBAL_gb_main, scaleWarning); GB_transaction ta(GLOBAL_gb_main); error = GBT_write_tree(GLOBAL_gb_main,0,tree_name,tree); if (!error && tree_comment) { error = GBT_write_tree_rem(GLOBAL_gb_main, tree_name, tree_comment); } if (error) error = ta.close(error); else aw_root->awar(AWAR_TREE)->write_string(tree_name); // show new tree GBT_delete_tree(tree); } free(scaleWarning); free(tree_comment); free(fname); free(pcTreeFormat); } aww->hide_or_notify(error); free(tree_name); } AW_window *create_tree_import_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "LOAD_TREE", "TREE LOAD"); aws->load_xfig("sel_box.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("format"); aws->label("Tree Format :"); aws->create_option_menu(AWAR_TREE_IMPORT "/filter"); aws->insert_default_option("Newick","t","tree"); aws->insert_option("XML","x","xml"); aws->update_option_menu(); aws->at("user"); aws->label("tree_name:"); aws->create_input_field(AWAR_TREE_IMPORT "/tree_name",15); awt_create_selection_box(aws, AWAR_TREE_IMPORT ""); aws->at("save2"); aws->callback(tree_load_cb); aws->create_button("LOAD","LOAD","o"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("cancel2"); aws->create_button("CANCEL","CANCEL","C"); aws->window_fit(); return (AW_window *)aws; } AW_window *create_tree_rename_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "RENAME_TREE","TREE RENAME"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the new name\nof the tree"); aws->at("input"); aws->create_input_field(AWAR_TREE_DEST,15); aws->at("ok"); aws->callback(tree_rename_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } AW_window *create_tree_copy_window(AW_root *root) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "COPY_TREE", "TREE COPY"); aws->load_xfig("ad_al_si.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->at("label"); aws->create_autosize_button(0,"Please enter the name\nof the new tree"); aws->at("input"); aws->create_input_field(AWAR_TREE_DEST,15); aws->at("ok"); aws->callback(tree_copy_cb); aws->create_button("GO","GO","G"); return (AW_window *)aws; } void ad_move_tree_info(AW_window *aww,AW_CL mode){ /* * mode == 0 -> move info (=overwrite info from source tree) * mode == 1 -> compare info * mode == 2 -> add info */ bool compare_node_info = mode==1; bool delete_old_nodes = mode==0; bool nodes_with_marked_only = (mode==0 || mode==2) && aww->get_root()->awar(AWAR_NODE_INFO_ONLY_MARKED)->read_int(); char *log_file = 0; GB_ERROR error = 0; if (!compare_node_info) { // move or add node-info writes a log file (containing errors) // compare_node_info only sets remark branches char *log_name = GB_unique_filename("arb_node", "log"); log_file = GB_create_tempfile(log_name); if (!log_file) error = GB_await_error(); free(log_name); } if (!error) { char *t1 = aww->get_root()->awar(AWAR_TREE_NAME)->read_string(); char *t2 = aww->get_root()->awar(AWAR_TREE_DEST)->read_string(); AWT_move_info(GLOBAL_gb_main, t1, t2, log_file, compare_node_info, delete_old_nodes, nodes_with_marked_only); if (log_file) { AWT_edit(log_file); GB_remove_on_exit(log_file); } free(t2); free(t1); } if (error) aw_message(error); else aww->hide(); free(log_file); } AW_window *create_tree_diff_window(AW_root *root){ static AW_window_simple *aws = 0; if (aws) return aws; GB_transaction dummy(GLOBAL_gb_main); aws = new AW_window_simple; aws->init( root, "CMP_TOPOLOGY", "COMPARE TREE TOPOLOGIES"); aws->load_xfig("ad_tree_cmp.fig"); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"tree_diff.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); root->awar_string(AWAR_TREE_NAME); root->awar_string(AWAR_TREE_DEST); aws->at("tree1"); awt_create_selection_list_on_trees(GLOBAL_gb_main,(AW_window *)aws,AWAR_TREE_NAME); aws->at("tree2"); awt_create_selection_list_on_trees(GLOBAL_gb_main,(AW_window *)aws,AWAR_TREE_DEST); aws->button_length(20); aws->at("move"); aws->callback(ad_move_tree_info,1); // compare aws->create_button("CMP_TOPOLOGY","COMPARE TOPOLOGY"); return aws; } AW_window *create_tree_cmp_window(AW_root *root){ static AW_window_simple *aws = 0; if (aws) return aws; GB_transaction dummy(GLOBAL_gb_main); aws = new AW_window_simple; aws->init( root, "COPY_NODE_INFO_OF_TREE", "TREE COPY INFO"); aws->load_xfig("ad_tree_cmp.fig"); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"tree_cmp.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); root->awar_string(AWAR_TREE_NAME); root->awar_string(AWAR_TREE_DEST); aws->at("tree1"); awt_create_selection_list_on_trees(GLOBAL_gb_main,(AW_window *)aws,AWAR_TREE_NAME); aws->at("tree2"); awt_create_selection_list_on_trees(GLOBAL_gb_main,(AW_window *)aws,AWAR_TREE_DEST); aws->at("move"); aws->callback(ad_move_tree_info,0); // move aws->create_button("COPY_INFO","COPY INFO"); aws->at("cmp"); aws->callback(ad_move_tree_info,2); // add aws->create_button("ADD_INFO","ADD INFO"); aws->at("only_marked"); aws->label("only info containing marked species"); aws->create_toggle(AWAR_NODE_INFO_ONLY_MARKED); return aws; } void ad_tr_delete_cb(AW_window *aww){ GB_ERROR error = 0; char *source = aww->get_root()->awar(AWAR_TREE_NAME)->read_string(); GB_begin_transaction(GLOBAL_gb_main); GBDATA *gb_tree = GBT_get_tree(GLOBAL_gb_main,source); if (gb_tree) { char *newname = GBT_get_next_tree_name(GLOBAL_gb_main,source); error = GB_delete(gb_tree); if (!error && newname) { aww->get_root()->awar(AWAR_TREE_NAME)->write_string(strcmp(newname, source) == 0 ? "" : newname); } free(newname); } else { error = "Please select a tree first"; } if (!error) GB_commit_transaction(GLOBAL_gb_main); else GB_abort_transaction(GLOBAL_gb_main); if (error) aw_message(error); free(source); } static void create_tree_last_window(AW_window *aww) { GB_ERROR error = 0; char *source = aww->get_root()->awar(AWAR_TREE_NAME)->read_string(); GB_begin_transaction(GLOBAL_gb_main); GBDATA *gb_tree_data = GB_search(GLOBAL_gb_main,"tree_data",GB_CREATE_CONTAINER); GBDATA *gb_tree_name = GB_entry(gb_tree_data,source); if (!gb_tree_name) { error = GB_export_error("No tree selected."); } else { GBDATA *gb_dest = GB_create_container(gb_tree_data,source); error = GB_copy(gb_dest,gb_tree_name); if (!error) error = GB_delete(gb_tree_name); } if (!error) GB_commit_transaction(GLOBAL_gb_main); else GB_abort_transaction(GLOBAL_gb_main); if (error) aw_message(error); free(source); } void move_tree_pos(AW_window *aww, AW_CL cl_offset) { // moves the tree in the list of trees int offset = (int)cl_offset; // char *source = aww->get_root()->awar(AWAR_TREE_NAME)->read_string(); if (offset == 9999) { create_tree_last_window(aww); } else { aw_message("Not implemented yet."); // @@@ FIXME: implement other cases } } AW_window *create_trees_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init( aw_root, "TREE_ADMIN","TREE ADMIN"); aws->load_xfig("ad_tree.fig"); aws->callback( AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE","CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"treeadm.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->button_length(20); aws->at("delete"); aws->callback(ad_tr_delete_cb); aws->create_button("DELETE","Delete","D"); aws->at("rename"); aws->callback(AW_POPUP,(AW_CL)create_tree_rename_window,0); aws->create_button("RENAME","Rename","R"); aws->at("copy"); aws->callback(AW_POPUP,(AW_CL)create_tree_copy_window,0); aws->create_button("COPY","Copy","C"); aws->at("move"); aws->callback(AW_POPUP,(AW_CL)create_tree_cmp_window,0); aws->create_button("MOVE_NODE_INFO","Move node info","C"); aws->at("cmp"); aws->callback(AW_POPUP,(AW_CL)create_tree_diff_window,0); aws->sens_mask(AWM_EXP); aws->create_button("CMP_TOPOLOGY","Compare topology","T"); aws->sens_mask(AWM_ALL); aws->at("export"); aws->callback(AW_POPUP,(AW_CL)create_tree_export_window,0); aws->create_button("EXPORT","Export","E"); aws->at("import"); aws->callback(AW_POPUP,(AW_CL)create_tree_import_window,0); aws->create_button("IMPORT","Import","I"); // aws->at("last"); // aws->callback(create_tree_last_window); // aws->create_button("PUT_TO_END","Put to end","P"); aws->button_length(0); #if defined(DEBUG) #if defined(DEVEL_RALF) #warning implement tree move buttons #endif // DEVEL_RALF aws->at("upall"); aws->callback(move_tree_pos, (AW_CL)-9999); aws->create_button("moveUpAll", "#moveUpAll.bitmap", 0); aws->at("up"); aws->callback(move_tree_pos, (AW_CL)-1); aws->create_button("moveUp", "#moveUp.bitmap", 0); aws->at("down"); aws->callback(move_tree_pos, (AW_CL)1); aws->create_button("moveDown", "#moveDown.bitmap", 0); #endif // DEBUG aws->at("downall"); aws->callback(move_tree_pos, (AW_CL)9999); aws->create_button("moveDownAll", "#moveDownAll.bitmap", 0); aws->at("list"); awt_create_selection_list_on_trees(GLOBAL_gb_main,(AW_window *)aws,AWAR_TREE_NAME); aws->at("security"); aws->create_option_menu(AWAR_TREE_SECURITY); aws->insert_option("0","0",0); aws->insert_option("1","1",1); aws->insert_option("2","2",2); aws->insert_option("3","3",3); aws->insert_option("4","4",4); aws->insert_option("5","5",5); aws->insert_default_option("6","6",6); aws->update_option_menu(); aws->at("rem"); aws->create_text_field(AWAR_TREE_REM); } return (AW_window *)aws; } ./arbsrc_9167/NTREE/ad_trees.hxx0000644012664100000130000000155411440743000016331 0ustar arb_buildcoders// ============================================================ // // // // File : ad_trees.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // www.arb-home.de // // // // ============================================================ // #ifndef AD_TREES_HXX #define AD_TREES_HXX #define AWAR_TREE_NAME "tmp/ad_tree/tree_name" void create_trees_var(AW_root *aw_root, AW_default aw_def); AW_window *create_trees_window(AW_root *aw_root); #else #error ad_trees.hxx included twice #endif // AD_TREES_HXX ./arbsrc_9167/NTREE/AP_consensus.cxx0000644012664100000130000010264011440743000017134 0ustar arb_buildcoders/* ----------------------------------------------------------------- * Project: ARB * * Module: consensus [abbrev.:CON] * * Exported Classes: x * * Global Functions: x * * Global Variables: AWARS: * AW_STRING, "tmp/con/alignment" : name of alignment * AW_STRING, "tmp/con/which_species" : only marked species ? * AW_STRING, "con/group" : allow Sgrouping ? * AW_STRING, "con/countgaps" * AW_DOUBLE, "con/fupper" * AW_INT, "con/lower" * AW_INT, "con/gapbound" : result is '-' if more than * 'gapbound' per cent gaps * AW_DOUBLE, "con/fconsidbound" : if frequency of character is * more than 'fconsidbound' per cent, this * character can contribute to groups * AW_STRING, "tmp/con/name" : save with this name * AW_STRING, "con/result" : result has one or more lines ? * * Global Structures: x * * Private Classes: . * * Private Functions: . * * Private Variables: . * * Dependencies: Needs consens.fig and CON_groups.fig * * Description: This module calculates the consensus of sequencies of * bases or amino acids. The result can be one or more lines * of characters and it is written to the extended data of * the alignment. * * Integration Notes: To use this module the main function must have a * callback to the function * AW_window *AP_open_consensus_window( AW_root *aw_root) * and the function void create_consensus_var * (AW_root *aw_root, AW_default aw_def) has to be called. * * ----------------------------------------------------------------- */ #include #include #include #include #include // #include #include #include #include #include #include #define AWAR_MAX_FREQ "tmp/CON_MAX_FREQ/" #define AWAR_MAX_FREQ_NO_GAPS AWAR_MAX_FREQ "no_gaps" #define AWAR_MAX_FREQ_SAI_NAME AWAR_MAX_FREQ "sai_name" extern GBDATA *GLOBAL_gb_main; enum { BAS_GAP, BAS_A, BAS_C, BAS_G, BAS_T, BAS_N, MAX_BASES, MAX_AMINOS =27, MAX_GROUPS =40 }; /* ----------------------------------------------------------------- * Function: CON_evaluatestatistic * * Arguments: int **statistic,char **groupflags, * char *groupnames * Returns: char *result * * Description: This function creates one or more result strings out * of table statistic. Memory for result is allocated * and later freeded in function CON_calculate_cb * * NOTE: Usage of groupflags and groupnames see function * CON_makegrouptable. * * Global Variables referenced: . * * Global Variables modified: x * * AWARs referenced: . * * AWARs modified: x * * Dependencies: Always check that behavior is identical to that * of ED4_char_table::build_consensus_string() * ----------------------------------------------------------------- */ void CON_evaluatestatistic(char *&result,int **statistic,char **groupflags, char *groupnames,int alignlength,double fupper,int lower, double fconsidbound,int gapbound,int countgap,int numgroups ) { int row=0; int j = 0; int groupfr[MAX_GROUPS]; /* frequency of group */ int highestfr,highestgr; long numentries; aw_status("calculating result"); result=(char *)GB_calloc(alignlength+1,1); for(int column=0;column `=` */ } if(!countgap) { numentries -= statistic[0][column]; statistic[0][column]=0; } if((statistic[0][column]*100/numentries)>gapbound) { result[column]='-'; continue; } for(j=0;j=fconsidbound*numentries){ for(j=numgroups-1;j>=0;j--){ if(groupflags[j][row]){ groupfr[j]+= statistic[row][column]; } } } row++; } highestfr=0;highestgr=0; for(j=0;j highestfr){ highestfr=groupfr[j]; highestgr=j; } } if((highestfr*100.0/numentries)>=fupper) { result[column]=groupnames[highestgr]; } else if((highestfr*100/numentries)>=lower){ char c=groupnames[highestgr]; if(c>='A' && c<='Z') { c=c-'A'+'a'; } result[column]=c; } else { result[column]='.'; } } } /* ----------------------------------------------------------------- * Function: CON_makegrouptable * * Arguments: . * * Returns: char **gf [groupflags],char *groupnames * * Description: Creates table groupflags that is used in function * CON_evaluatestatistic. E.g. gf[10][3]=1 means, that * all characters c with convtable[c]==3 are members * of group 10. * Table groupnames is also created. * E.g. c=groupnames[5] gives abbrev of 5th group. * * NOTE: . * * Global Variables referenced: . * * Global Variables modified: x * * AWARs referenced: . * * AWARs modified: x * * Dependencies: . * ----------------------------------------------------------------- */ int CON_makegrouptable(char **gf,char *groupnames, int isamino,int groupallowed) { for(int j=0;j='a')&&(c<='z')) || ((c>='A')&&(c<='Z')) || (c=='*') ){ if ( i > maxalignlen) break; statistic[convtable[c]][i] += 1; } i++; } } if (onlymarked) { gb_species = GBT_next_marked_species(gb_species); }else{ gb_species = GBT_next_species(gb_species); } } return(nrofspecies); } /* ----------------------------------------------------------------- * Function: CON_maketables * * Arguments: long maxalignlen,int isamino * * Returns: return parameters: int *convtable,int **statistic * * Description: Creates tables convtable and statistic, that are * used by function CON_makestatistic. The memory * allocated for both tables is freed in the * function CON_calculate_cb. * E.g. convtable['c']=k means that the character c * is counted in table statistic in row k. * * NOTE: . * * Global Variables referenced: . * * Global Variables modified: x * * AWARs referenced: . * * AWARs modified: x * * Dependencies: . * ----------------------------------------------------------------- */ void CON_maketables(int *convtable,int **statistic,long maxalignlen,int isamino) { int i; for(i=0;i<256;i++) { convtable[i]=0; } if(!isamino){ for (i='a'; i<= 'z'; i++) convtable[i] = BAS_N; for (i='A'; i<= 'Z'; i++) convtable[i] = BAS_N; convtable['a']=BAS_A; convtable['A']=BAS_A; convtable['c']=BAS_C; convtable['C']=BAS_C; convtable['g']=BAS_G; convtable['G']=BAS_G; convtable['t']=BAS_T; convtable['T']=BAS_T; convtable['u']=BAS_T; convtable['U']=BAS_T; for(i=0;i new order*/ int *allreadycounted=(int*)GB_calloc((unsigned int)256,sizeof(char)); int *neworder=(int*)GB_calloc((unsigned int)256,sizeof(int)); int k; int numdiffchars=1; /* first additional row (nr. 0) is max-row */ for(int c=0;c<256;c++) { if( (k=convtable[c]) ) { if(!(allreadycounted[k])) { allreadycounted[k]=1; neworder[numdiffchars++]=k; } } } additional=(float**)GB_calloc((unsigned int)numdiffchars,sizeof(float*)); int group; for(group=0;grouphighest) highest=relativ; additional[diffchar][col]=relativ; } additional[0][col]=highest; }else{ additional[0][col]=0.0; } } GBDATA *gb_relativ=GB_search(gb_graph,"MAX",GB_FLOATS); err=GB_write_floats(gb_relativ,additional[0],maxalignlen); for(group=1;group'Z') continue; sprintf(charname,"N%c",ch); gb_relativ=GB_search(gb_graph,charname,GB_FLOATS); err=GB_write_floats(gb_relativ,additional[group],maxalignlen); } free(charname); free(neworder); free(allreadycounted); for(group=0;groupget_root(); char *align = awr->awar("tmp/con/alignment")->read_string(); GB_ERROR error = 0; GB_push_transaction(GLOBAL_gb_main); long maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main,align); if (maxalignlen <= 0) error = GB_export_errorf("alignment '%s' doesn't exist", align); if (!error) { int isamino = GBT_is_alignment_protein(GLOBAL_gb_main,align); int onlymarked = 1; int resultiscomplex = 1; { char *marked = awr->awar("tmp/con/which_species")->read_string(); char *complexresult = awr->awar("con/result")->read_string(); if (strcmp("marked",marked) != 0) onlymarked = 0; if (strcmp("complex",complexresult) != 0) resultiscomplex = 0; free(complexresult); free(marked); } /* creating the table for characters and allocating memory for 'statistc' */ int *statistic[MAX_AMINOS+1]; int convtable[256]; CON_maketables(convtable,statistic,maxalignlen,isamino); /* filling the statistic table */ aw_openstatus("Consensus"); long nrofspecies = CON_makestatistic(statistic,convtable,align,onlymarked); double fupper = awr->awar("con/fupper")->read_float(); int lower = (int)awr->awar("con/lower")->read_int(); if (fupper>100.0) fupper = 100; if (fupper<0) fupper = 0; if (lower<0) lower = 0; if(lower>fupper) { error = "fault: lower greater than upper"; } else { double fconsidbound = awr->awar("con/fconsidbound")->read_float(); if (fconsidbound>100) fconsidbound = 100; if (fconsidbound<0) fconsidbound = 0; int gapbound = (int)awr->awar("con/gapbound")->read_int(); if (gapbound<0) gapbound = 0; if (gapbound>100) gapbound = 100; int groupallowed, countgap; { char *group = awr->awar("con/group")->read_string(); char *countgaps = awr->awar("con/countgaps")->read_string(); groupallowed = strcmp("on",group) == 0; countgap = strcmp("on",countgaps) == 0; free(countgaps); free(group); } /* creating the table for groups */ char *groupflags[40]; char groupnames[40]; int numgroups = CON_makegrouptable(groupflags,groupnames,isamino,groupallowed); /* calculate and export the result strings */ char *result = 0; CON_evaluatestatistic(result,statistic,groupflags,groupnames, (int)maxalignlen,fupper,lower,fconsidbound,gapbound,countgap,numgroups); char *savename = awr->awar("tmp/con/name")->read_string(); error = CON_export(savename,align,statistic,result,convtable,groupnames, onlymarked,nrofspecies,maxalignlen,countgap,gapbound,groupallowed, fconsidbound,fupper,lower,resultiscomplex); /* freeing allocated memory */ free(savename); free(result); for (int i=0;iawar_string( "tmp/con/alignment", defali ,aw_def); free(defali); } aw_root->awar_string( "tmp/con/which_species","marked",aw_def ); aw_root->awar_string( "con/group","off",aw_def); aw_root->awar_string( "con/countgaps","on",aw_def); aw_root->awar_float( "con/fupper",95,aw_def); aw_root->awar_int( "con/lower",70,aw_def); aw_root->awar_int( "con/gapbound",60,aw_def); aw_root->awar_float( "con/fconsidbound",30,aw_def); aw_root->awar_string( "tmp/con/name","CONSENSUS",aw_def); aw_root->awar_string( "con/result","single line",aw_def ); aw_root->awar_string( AWAR_MAX_FREQ_SAI_NAME,"MAX_FREQUENCY",aw_def ); aw_root->awar_int( AWAR_MAX_FREQ_NO_GAPS,1,aw_def); } /* Open window to show IUPAC tables */ AW_window * CON_showgroupswin_cb( AW_root *aw_root) { AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "SHOW_IUPAC", "Show IUPAC"); aws->load_xfig("consensus/groups.fig"); aws->button_length( 7 ); aws->at("ok");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","O"); return (AW_window *)aws; } AW_window * AP_open_con_expert_window( AW_root *aw_root) { AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "BUILD_CONSENSUS", "CONSENSUS OF SEQUENCES"); aws->load_xfig("consensus/expert.fig"); aws->button_length( 6 ); aws->at("cancel");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"consensus.hlp"); aws->create_button("HELP","HELP","H"); aws->button_length( 10); aws->at("showgroups");aws->callback(AW_POPUP,(AW_CL)CON_showgroupswin_cb,0); aws->create_button("SHOW_IUPAC", "show\nIUPAC...","s"); aws->button_length( 10 ); aws->at( "which_species" ); aws->create_toggle_field( "tmp/con/which_species", NULL ,"" ); aws->insert_toggle( "all", "1", "all" ); aws->insert_default_toggle( "marked", "1", "marked" ); aws->update_toggle_field(); aws->at("which_alignment"); awt_create_selection_list_on_ad(GLOBAL_gb_main, (AW_window *)aws,"tmp/con/alignment","*="); aws->button_length( 15 ); /* activation of consensus calculation by button ... */ aws->at("calculate");aws->callback((AW_CB0)CON_calculate_cb); aws->create_button("GO","GO","G"); aws->at("group"); aws->create_toggle_field("con/group", NULL ,"" ); aws->insert_toggle("on","1","on"); aws->insert_default_toggle("off","1","off"); aws->update_toggle_field(); aws->at("countgaps"); aws->create_toggle_field("con/countgaps", NULL ,"" ); aws->insert_toggle("on","1","on"); aws->insert_default_toggle("off","1","off"); aws->update_toggle_field(); aws->at("upper"); aws->create_input_field("con/fupper",4); aws->at("lower"); aws->create_input_field("con/lower",4); aws->at("considbound"); aws->create_input_field("con/fconsidbound",4); aws->at("gapbound"); aws->create_input_field("con/gapbound",4); aws->at("name"); aws->create_input_field("tmp/con/name",10); aws->at("result"); aws->create_toggle_field("con/result", NULL ,"" ); aws->insert_toggle("single line","1","single line"); aws->insert_default_toggle("complex","1","complex"); aws->update_toggle_field(); aws->at("save_box"); awt_create_selection_list_on_extendeds(GLOBAL_gb_main,aws,"tmp/con/name"); return (AW_window *)aws; } /* ----------------------------------------------------------------- * Function: AP_open_consensus_window( AW_root *aw_root) * * Arguments: * * Returns: * * Description: Draws window, initializes callback for most important * function, CON_calculate_cb. * * NOTE: * * Global Variables referenced: * * Global Variables modified: * * AWARs referenced: * * AWARs modified: * * Dependencies: Needs xfig files consens.fig and CON_groups.fig * ----------------------------------------------------------------- */ AW_window * AP_open_consensus_window( AW_root *aw_root) { AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "SIMPLE_CONSENSUS", "SIMPLE CONSENSUS"); aws->load_xfig("consensus/main.fig"); GB_push_transaction(GLOBAL_gb_main); aws->button_length( 6 ); aws->at("cancel");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"consensus.hlp"); aws->create_button("HELP","HELP","H"); aws->button_length( 15); aws->at("showgroups");aws->callback(AW_POPUP,(AW_CL)CON_showgroupswin_cb,0); aws->create_button("SHOW_IUPAC", "show IUPAC...","s"); aws->button_length( 10 ); aws->at( "which_species" ); aws->create_toggle_field( "tmp/con/which_species", NULL ,"" ); aws->insert_toggle( "all", "1", "all" ); aws->insert_default_toggle( "marked", "1", "marked" ); aws->update_toggle_field(); aws->at("which_alignment"); awt_create_selection_list_on_ad(GLOBAL_gb_main, (AW_window *)aws,"tmp/con/alignment","*="); aws->button_length( 15 ); /* activation of consensus calculation by button ... */ aws->at("calculate");aws->callback((AW_CB0)CON_calculate_cb); aws->create_button("CALCULATE","CALCULATE","C"); aws->at("expert");aws->callback(AW_POPUP,(AW_CL)AP_open_con_expert_window,0); aws->create_button("EXPERT", "expert...","e"); aws->at("group"); aws->create_toggle_field("con/group", NULL ,"" ); aws->insert_toggle("on","1","on"); aws->insert_default_toggle("off","1","off"); aws->update_toggle_field(); aws->at("name"); aws->create_input_field("tmp/con/name",10); aws->at("save_box"); awt_create_selection_list_on_extendeds(GLOBAL_gb_main,aws,"tmp/con/name"); GB_pop_transaction(GLOBAL_gb_main); return (AW_window *)aws; } /* ----------------------------------------------------------------- * Function: CON_calc_max_freq_cb( AW_window *aw) * * Description: Gets the maximum frequence for each columns. * * NOTE: * * ----------------------------------------------------------------- */ void CON_calc_max_freq_cb(AW_window *aw){ AW_root *awr=aw->get_root(); long maxalignlen,i; int *statistic[MAX_AMINOS+1]; int convtable[256]; int onlymarked=1,isamino=1; long no_gaps; GB_ERROR error = 0; GB_push_transaction(GLOBAL_gb_main); char *align = GBT_get_default_alignment(GLOBAL_gb_main); maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main,align); no_gaps = awr->awar(AWAR_MAX_FREQ_NO_GAPS)->read_int(); if(maxalignlen<=0) { GB_pop_transaction(GLOBAL_gb_main); aw_message("alignment doesn't exist!"); delete align; return; } isamino = GBT_is_alignment_protein(GLOBAL_gb_main,align); aw_openstatus("Max. Frequency"); long nrofspecies; CON_maketables(convtable,statistic,maxalignlen,isamino); nrofspecies = CON_makestatistic(statistic,convtable,align,onlymarked); int end = MAX_BASES; if (isamino) end = MAX_AMINOS; int pos; char *result = new char[maxalignlen+1]; char *result2 = new char[maxalignlen+1]; result[maxalignlen] = 0; result2[maxalignlen] = 0; for (pos = 0 ; pos < maxalignlen; pos++ ){ int sum = 0; int max = 0; for (i=0;i max) max = statistic[i][pos]; } if (sum == 0){ result[pos] = '='; result2[pos] = '='; }else{ result[pos] = "01234567890"[((10*max)/sum)%11]; result2[pos] = "01234567890"[((100*max)/sum)%10]; } } char *savename = awr->awar(AWAR_MAX_FREQ_SAI_NAME)->read_string(); GBDATA *gb_extended = GBT_find_or_create_SAI(GLOBAL_gb_main,savename); free(savename); GBDATA *gb_data = GBT_add_data(gb_extended, align,"data", GB_STRING); GBDATA *gb_data2 = GBT_add_data(gb_extended, align,"dat2", GB_STRING); error = GB_write_string(gb_data,result); if (!error) error = GB_write_string(gb_data2,result2); GBDATA *gb_options = GBT_add_data(gb_extended, align,"_TYPE", GB_STRING); delete [] result; delete [] result2; if (!error) { char buffer[2000]; sprintf (buffer,"MFQ: [species: %li] [exclude gaps: %li]", nrofspecies, no_gaps); error=GB_write_string(gb_options,buffer); } GB_pop_transaction(GLOBAL_gb_main); CON_cleartables(statistic,isamino); aw_closestatus(); free(align); if (error) aw_message(error); } AW_window * AP_open_max_freq_window( AW_root *aw_root) { AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "MAX_FREQUENCY", "MAX FREQUENCY"); aws->load_xfig("consensus/max_freq.fig"); GB_push_transaction(GLOBAL_gb_main); aws->button_length( 6 ); aws->at("cancel");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"max_freq.hlp"); aws->create_button("HELP","HELP","H"); /* activation of consensus calculation by button ... */ aws->at("go");aws->callback((AW_CB0)CON_calc_max_freq_cb); aws->create_button("GO","GO","C"); aws->at("save"); aws->create_input_field(AWAR_MAX_FREQ_SAI_NAME,1); aws->at("sai"); awt_create_selection_list_on_extendeds(GLOBAL_gb_main,aws,AWAR_MAX_FREQ_SAI_NAME); aws->at("gaps"); aws->create_toggle(AWAR_MAX_FREQ_NO_GAPS); GB_pop_transaction(GLOBAL_gb_main); return (AW_window *)aws; } ./arbsrc_9167/NTREE/ap_consensus.hxx0000644012664100000130000000034611440743000017241 0ustar arb_buildcodersAW_window *AP_open_consensus_window( AW_root *root ); void create_consensus_var(AW_root *aw_root, AW_default aw_def); AW_window *AP_open_con_expert_window( AW_root *aw_root); AW_window *AP_open_max_freq_window( AW_root *aw_root); ./arbsrc_9167/NTREE/AP_conservProfile2Gnuplot.cxx0000644012664100000130000001113411440743000021544 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "ap_conservProfile2Gnuplot.hxx" //#include "nt_cb.hxx" extern GBDATA *GLOBAL_gb_main; void AP_conservProfile2Gnuplot_callback(AW_window *aww) { GB_ERROR error = 0; char *command_file; char *cmdName = GB_unique_filename("arb", "gnuplot"); FILE *cmdFile = GB_fopen_tempfile(cmdName, "wt", &command_file); if (!cmdFile) error = GB_await_error(); else { char *fname = aww->get_root()->awar(AP_AWAR_CONSPRO_FILENAME)->read_string(); char *smooth = aww->get_root()->awar(AP_AWAR_CONSPRO_SMOOTH_GNUPLOT)->read_string(); char *legend = aww->get_root()->awar(AP_AWAR_CONSPRO_GNUPLOT_LEGEND)->read_string(); int dispPos = aww->get_root()->awar(AP_AWAR_CONSPRO_GNUPLOT_DISP_POS)->read_int(); int minX = aww->get_root()->awar(AP_AWAR_CONSPRO_GNUPLOT_MIN_X)->read_int(); int maxX = aww->get_root()->awar(AP_AWAR_CONSPRO_GNUPLOT_MAX_X)->read_int(); int minY = aww->get_root()->awar(AP_AWAR_CONSPRO_GNUPLOT_MIN_Y)->read_int(); int maxY = aww->get_root()->awar(AP_AWAR_CONSPRO_GNUPLOT_MAX_Y)->read_int(); if (minX>0 || maxX>0) fprintf(cmdFile, "set xrange [%i:%i]\n",minX,maxX); if (minY>0 || maxY>0) fprintf(cmdFile, "set yrange [%i:%i]\n",minY,maxY); fprintf(cmdFile, "plot \"%s\" %s title \"%s\"\n", fname, smooth, legend); if(dispPos) fprintf(cmdFile, "replot \"%s\" title \"Base Positions\"\n", fname); fprintf(cmdFile, "pause -1 \"Press RETURN to close gnuplot\"\n"); free(legend); free(smooth); free(fname); } fclose(cmdFile); if (!error) { char *script = GBS_global_string_copy("gnuplot %s && rm -f %s", command_file, command_file); GB_xcmd(script, GB_TRUE, GB_TRUE); // execute GNUPLOT using command_file free(script); } free(command_file); free(cmdName); if (error) aw_message(error); } AW_window *AP_openConservationPorfileWindow( AW_root *root ){ AW_window_simple *aws = new AW_window_simple; aws->init( root, "DISP_CONSERV_PROFILE_GNUPLOT", "Conservation Profile Using Base Frequency Filter"); aws->load_xfig("conservProfile2Gnuplot.fig"); root->awar_string(AP_AWAR_CONSPRO_SMOOTH_GNUPLOT); root->awar_string(AP_AWAR_BASE_FREQ_FILTER_NAME); aw_create_selection_box_awars(root, AP_AWAR_CONSPRO, "", ".gnu", "noname.gnu"); root->awar_string(AP_AWAR_CONSPRO_GNUPLOT_LEGEND); root->awar_int(AP_AWAR_CONSPRO_GNUPLOT_DISP_POS); root->awar_int(AP_AWAR_CONSPRO_GNUPLOT_MIN_X); root->awar_int(AP_AWAR_CONSPRO_GNUPLOT_MAX_X); root->awar_int(AP_AWAR_CONSPRO_GNUPLOT_MIN_Y); root->awar_int(AP_AWAR_CONSPRO_GNUPLOT_MAX_Y); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"coservProfile2Gnuplot.hlp"); aws->create_button("HELP","HELP","H"); awt_create_selection_box(aws,AP_AWAR_CONSPRO); aws->at("baseFreqFlt");// aws->callback((AW_CB0)AW_POPDOWN); // aws->callback(createTipsAndTricks_window); // aws->callback(AW_POPUP,(AW_CL)NT_system_cb,(AW_CL)"arb_phylo &"); aws->create_button("SELECT_FILTER", AP_AWAR_BASE_FREQ_FILTER_NAME); aws->at("minX"); aws->create_input_field(AP_AWAR_CONSPRO_GNUPLOT_MIN_X); aws->at("maxX"); aws->create_input_field(AP_AWAR_CONSPRO_GNUPLOT_MAX_X); aws->at("minY"); aws->create_input_field(AP_AWAR_CONSPRO_GNUPLOT_MIN_Y); aws->at("maxY"); aws->create_input_field(AP_AWAR_CONSPRO_GNUPLOT_MAX_Y); aws->at("legend"); aws->create_input_field(AP_AWAR_CONSPRO_GNUPLOT_LEGEND); aws->at("smooth"); aws->create_toggle_field(AP_AWAR_CONSPRO_SMOOTH_GNUPLOT, 1); aws->insert_default_toggle("None","N", ""); aws->insert_toggle("Unique","U", "smooth unique"); // aws->insert_toggle("CSpline","S", "smooth cspline"); aws->insert_toggle("Bezier","B", "smooth bezier"); aws->update_toggle_field(); aws->at("dispPos"); aws->create_toggle(AP_AWAR_CONSPRO_GNUPLOT_DISP_POS); aws->at("dispProfile"); aws->callback(AP_conservProfile2Gnuplot_callback); aws->create_button("DISPLAY_PROFILE","SAVE & DISPLAY CONSERVATION PROFILE"); return (AW_window *)aws; } ./arbsrc_9167/NTREE/ap_conservProfile2Gnuplot.hxx0000644012664100000130000000150211440743000021647 0ustar arb_buildcoders#define AP_AWAR_CONSPRO "tmp/ntree/conservProfile2Gnuplot" #define AP_AWAR_CONSPRO_FILENAME AP_AWAR_CONSPRO "/file_name" #define AP_AWAR_CONSPRO_SMOOTH_GNUPLOT AP_AWAR_CONSPRO "/smooth_gnuplot" #define AP_AWAR_CONSPRO_GNUPLOT_DISP_POS AP_AWAR_CONSPRO "/gnuplot_diplay_positons" #define AP_AWAR_CONSPRO_GNUPLOT_LEGEND AP_AWAR_CONSPRO "/gnuplot_legend" #define AP_AWAR_CONSPRO_GNUPLOT_MIN_X AP_AWAR_CONSPRO "/gnuplot_xRange_min" #define AP_AWAR_CONSPRO_GNUPLOT_MAX_X AP_AWAR_CONSPRO "/gnuplot_xRange_max" #define AP_AWAR_CONSPRO_GNUPLOT_MIN_Y AP_AWAR_CONSPRO "/gnuplot_yRange_min" #define AP_AWAR_CONSPRO_GNUPLOT_MAX_Y AP_AWAR_CONSPRO "/gnuplot_yRange_max" #define AP_AWAR_BASE_FREQ_FILTER_NAME AP_AWAR_CONSPRO "/ap_filter/name" AW_window *AP_openConservationPorfileWindow( AW_root *root ); ./arbsrc_9167/NTREE/AP_cprofile.cxx0000644012664100000130000017627111440743000016732 0ustar arb_buildcoders/* ----------------------------------------------------------------- * Project: ARB * * Module: conservation profile [abbrev.: CPRO] * * Exported Classes: x * * Global Functions: x * * Global Variables: * AWARS * AW_STRING, "cpro/alignment" : name of alignment * AW_STRING, "cpro/which_species" : all/marked * AW_STRING, "cpro/countgaps" : if off, drop gaps * AW_FLOAT, "cpro/rateofgroup" : how to rate, when two * characters belong to the same group [ 0.0 means don't rate ] * AW_INT, AWAR_CURSOR_POSITION: * column shown in func. CPRO_drawstatistic_cb * * Global Structures: CPRO * * Private Classes: . * * Private Functions: . * * Private Variables: . * * Dependencies: Needs cprofile.fig, CPROdraw.fig, CPROdens.fig * CPROxpert.fig CPROcalc.fig * * Description: x * * Integration Notes: The main function using this module must have a * callback to the function * AW_window *AP_open_cprofile_window( AW_root *aw_root) * and the function void create_consensus_var * (AW_root *aw_root, AW_default aw_def) has to be called. * * ----------------------------------------------------------------- */ #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #define ap_assert(cond) arb_assert(cond) typedef GB_UINT4 STATTYPE; extern GBDATA *GLOBAL_gb_main; enum { GAP = 1, BAS_A = 2, BAS_C = 3, BAS_G = 4, BAS_T = 5 , MAX_BASES = 6, MAX_AMINOS =27+GAP }; #define GC_black 7 #define GC_blue 6 #define GC_green 5 #define GC_grid 4 struct CPRO_result_struct { STATTYPE **statistic; long maxalignlen; // length of longest sequence long resolution; // resolution of statistic table float ratio; // ratio between transitions and transversion long maxaccu; // highest number of compares per distance long memneeded; // memory required for this statistic char which_species[20]; // "marked vs all" , ... char drawmode; // smoothing char alignname[80]; // name of alignment char statisticexists; // was there yet a statistic calculated/loaded ? long leastcompares; // if less overlap between two sequences // comparison doesn't contribute to statistic long countgaps; // if 0, comparisons with gaps are not counted }; struct CPRO_struct { long numspecies; // number of species long maxresneeded; // not yet used (max distance of calculation) long partition; // size of partition in matrix of compares long leastaccu; // if less compares per distance don't show char *agonist; // list of species that contribute to statistic char *antagonist; // -^- char convtable[256]; // converts character to a token char grouptable[MAX_AMINOS]; // gives number of group, in which token is // member float grouprate; // ratio between transitions and transversions float distancecorrection; // results out of grouprate long column; // column of alignment that is shown float maxdistance; // statistic shows up to this point of distance long gridhorizontal; // grid over statistic long gridvertical; // -^- float Z_it_group; // last value , needed for smoothing float Z_it_equal; // -^- struct CPRO_result_struct result[2]; // info needed for each statistic } CPRO; /* ----------------------------------------------------------------- * Function: CPRO_readandallocate * * Arguments: char versus,char *align (name of alignment) * * Returns: modifies: * char **&speciesdata,GBDATA **&speciesdatabase * * Description: Memory for 'statistic', 'speciesdata', 'speciesdatabase', * 'agonist' and 'antagonist' is allocated. * Pointers to the sequences in the database are * read into array 'speciesdatabase'. * * * NOTE: . * * Global Variables referenced: . * * Global Variables modified: CPRO.agonist,CPRO.antagonist,CPRO.numspecies * * AWARs referenced: . * * AWARs modified: x * * Dependencies: . * ----------------------------------------------------------------- */ static void CPRO_readandallocate(char **&speciesdata,GBDATA **&speciesdatabase, char versus,char *align) { GBDATA *gb_species_data = GB_search(GLOBAL_gb_main,"species_data",GB_FIND); GBDATA *gb_species; aw_status("reading database"); long nrofspecies=0; gb_species = GBT_first_species_rel_species_data(gb_species_data); while(gb_species) { if(GBT_read_sequence(gb_species,align)){ nrofspecies++; } gb_species = GBT_next_species(gb_species); } CPRO.numspecies=nrofspecies; speciesdata=(char **)calloc((size_t)CPRO.numspecies,sizeof(char *)); CPRO.agonist=(char *)calloc((size_t)CPRO.numspecies,sizeof(char)); CPRO.antagonist=(char *)calloc((size_t)CPRO.numspecies,sizeof(char)); speciesdatabase=(GBDATA **)calloc((size_t)CPRO.numspecies+1,sizeof(GBDATA *)); // Null termintated GBDATA *alidata; long countspecies=0; gb_species = GBT_first_species_rel_species_data(gb_species_data); while(gb_species) { if( (alidata=GBT_read_sequence(gb_species,align)) ) { speciesdatabase[countspecies++]=alidata; } gb_species = GBT_next_species(gb_species); } for(long i=0;iCPRO.result[which_statistic].maxaccu) { CPRO.result[which_statistic].maxaccu=sum; colmax=column; } } if (hits) memneeded += CPRO.result[which_statistic].maxalignlen; else freeset(CPRO.result[which_statistic].statistic[base+0], 0); if (group) memneeded += CPRO.result[which_statistic].maxalignlen; else freeset(CPRO.result[which_statistic].statistic[base+1], 0); if (different) memneeded += CPRO.result[which_statistic].maxalignlen; else freeset(CPRO.result[which_statistic].statistic[base+2], 0); } if(!CPRO.result[which_statistic].maxaccu) CPRO.result[which_statistic].maxaccu=1; CPRO.result[which_statistic].memneeded=memneeded; } /* ----------------------------------------------------------------- * Function: CPRO_maketables * * Arguments: char isamino * * Returns: modifies: char *CPRO.convtable, * char *CPRO.grouptable * * Description: Fills tables CPRO.convtable and CPRO.grouptable, that are * used later, when making the statistic. Meaning of tables: * E.g. CPRO.convtable['a']=BAS_A means that char. 'a' is * converted into number BAS_A. Then CPRO.grouptable[BAS_A]=1 * and CPRO.grouptable[BAS_G]=1 means, that characters 'a' * and 'g' are both members of group 1. * * NOTE: . * * Global Variables referenced: . * * Global Variables modified: char *CPRO.convtable, char *CPRO.grouptable * * AWARs referenced: . * * AWARs modified: x * * Dependencies: . * ----------------------------------------------------------------- */ static void CPRO_maketables(char isamino,char countgaps) { long i; for(i=0;i<256;i++) { CPRO.convtable[i]=0; } if(!isamino) { if (countgaps) CPRO.convtable[(unsigned char)'-']=GAP; CPRO.convtable[(unsigned char)'a']=BAS_A; CPRO.convtable[(unsigned char)'A']=BAS_A; CPRO.convtable[(unsigned char)'c']=BAS_C; CPRO.convtable[(unsigned char)'C']=BAS_C; CPRO.convtable[(unsigned char)'g']=BAS_G; CPRO.convtable[(unsigned char)'G']=BAS_G; CPRO.convtable[(unsigned char)'t']=BAS_T; CPRO.convtable[(unsigned char)'T']=BAS_T; CPRO.convtable[(unsigned char)'u']=BAS_T; CPRO.convtable[(unsigned char)'U']=BAS_T; for (i=0;i= CPRO.result[which_statistic].resolution) return; STATTYPE *equalentry = CPRO.result[which_statistic].statistic[3*column]; STATTYPE *samegroupentry = CPRO.result[which_statistic].statistic[3*column+1]; STATTYPE *differententry = CPRO.result[which_statistic].statistic[3*column+2]; firstseq = speciesdata[elemx]; secondseq = speciesdata[elemy]; for(counter=0;counterelemy2) && (ielemx2) ) { delete(speciesdata[i]); speciesdata[i]=0; } } if (elemx1get_root(); char *align=awr->awar("cpro/alignment")->read_string(); char *marked=awr->awar("cpro/which_species")->read_string(); char versus=0; /* all vs all */ if(!(strcmp("marked",marked))) versus=1; /*marked vs marked*/ if(!(strcmp("markedall",marked))) versus=2; /* marked vs all*/ GB_ERROR faultmessage; free(marked); if(CPRO.result[which_statistic].statisticexists) { CPRO_freestatistic((char)which_statistic); CPRO.result[which_statistic].statisticexists=0; } strcpy(CPRO.result[which_statistic].alignname,align); CPRO.result[which_statistic].resolution=awr->awar("cpro/resolution")->read_int(); if (CPRO.result[which_statistic].resolution<=0) CPRO.result[which_statistic].resolution=1; CPRO.result[which_statistic].leastcompares= awr->awar("cpro/leastcompares")->read_int(); if (CPRO.result[which_statistic].leastcompares<=0) CPRO.result[which_statistic].leastcompares=1; if(versus==1) strcpy(CPRO.result[which_statistic].which_species,"m vs m"); else if(versus==2) strcpy(CPRO.result[which_statistic].which_species, "m vs all"); else strcpy(CPRO.result[which_statistic].which_species,"all vs all"); if( (faultmessage=GB_push_transaction(GLOBAL_gb_main)) ) { aw_question(faultmessage,"OK,EXIT"); delete align; return; } CPRO.result[which_statistic].maxalignlen = GBT_get_alignment_len(GLOBAL_gb_main,align); if(CPRO.result[which_statistic].maxalignlen<=0) { GB_pop_transaction(GLOBAL_gb_main); aw_message("Error: Select an alignment !"); delete align; return; } char isamino= GBT_is_alignment_protein(GLOBAL_gb_main,align); aw_openstatus("calculating");aw_status((double)0); GBDATA **speciesdatabase; // array of GBDATA-pointers to the species char **speciesdata;//array of pointers to strings that hold data of species // allocate memory for 'CPRO.statistic','speciesdata' and fill // 'speciesdatabase','agonist' and 'antagonist' CPRO_readandallocate(speciesdata,speciesdatabase,versus,align); char *countgapsstring=awr->awar("cpro/countgaps")->read_string(); char countgaps=1; if(strcmp("on",countgapsstring)) countgaps=0; free(countgapsstring); CPRO.result[which_statistic].countgaps=(long)countgaps; /* create convtable and grouptable */ CPRO_maketables(isamino,countgaps); CPRO.result[which_statistic].ratio=awr->awar("cpro/transratio")->read_float(); CPRO.grouprate=1-(0.5/CPRO.result[which_statistic].ratio); CPRO.distancecorrection=(CPRO.result[which_statistic].ratio+1)*2.0/3.0; /* fill the CPRO.statistic table */ char success=CPRO_makestatistic(speciesdata,speciesdatabase,(char)which_statistic); GBUSE(success); CPRO_workupstatistic((char)which_statistic); aw_closestatus(); CPRO_deallocate(speciesdata,speciesdatabase); free(align); if( (faultmessage=GB_pop_transaction(GLOBAL_gb_main)) ) { aw_question(faultmessage,"OK,EXIT"); return; } CPRO_memrequirement_cb(awr); } static void CPRO_memrequirement_cb(AW_root *aw_root) { char *align=aw_root->awar("cpro/alignment")->read_string(); char *marked=aw_root->awar("cpro/which_species")->read_string(); char versus=0; /* all vs all */ if(!(strcmp("marked",marked))) versus=1; if(!(strcmp("markedall",marked))) versus=2; free(marked); CPRO.partition=aw_root->awar("cpro/partition")->read_int(); if (CPRO.partition<=0) CPRO.partition=1; long resolution=aw_root->awar("cpro/resolution")->read_int(); if (resolution<=0) resolution=1; char buf[80]; GB_ERROR faultmessage; aw_root->awar("tmp/cpro/which1")->write_string(CPRO.result[0].which_species); aw_root->awar("tmp/cpro/which2")->write_string(CPRO.result[1].which_species); sprintf(buf,"%5ld",CPRO.result[0].resolution); aw_root->awar("tmp/cpro/nowres1")->write_string(buf); sprintf(buf,"%5ld",CPRO.result[1].resolution); aw_root->awar("tmp/cpro/nowres2")->write_string(buf); if(!(CPRO.result[0].statisticexists)) { aw_root->awar("tmp/cpro/memfor1")->write_string("0KB"); } else { sprintf(buf,"%ldKB",CPRO.result[0].memneeded/1024); aw_root->awar("tmp/cpro/memfor1")->write_string(buf); } if(!(CPRO.result[1].statisticexists)) { aw_root->awar("tmp/cpro/memfor2")->write_string("0KB"); } else { sprintf(buf,"%ldKB",CPRO.result[1].memneeded/1024); aw_root->awar("tmp/cpro/memfor2")->write_string(buf); } if( (faultmessage=GB_push_transaction(GLOBAL_gb_main)) ) { aw_question(faultmessage,"OK,EXIT"); free(align); return; } long len=GBT_get_alignment_len(GLOBAL_gb_main,align); if(len<=0) { GB_pop_transaction(GLOBAL_gb_main); aw_root->awar("tmp/cpro/mempartition")->write_string("???"); aw_root->awar("tmp/cpro/memstatistic")->write_string("???"); free(align); return; } /* GBDATA *gb_species; versus==1 -> marked vs marked if (versus==1) { gb_species = GBT_first_marked_species(gb_species_data); } else { gb_species = GBT_first_species(gb_species_data); } while(gb_species) { if(GBT_read_sequence(gb_species,align)){ nrofspecies++; } if (versus==1) { gb_species = GBT_next_marked_species(gb_species); }else{ gb_species = GBT_next_species(gb_species); } } CPRO.numspecies=nrofspecies; */ long mem; /*if(CPRO.numspecies<=2*CPRO.partition) mem=CPRO.numspecies*len; else mem=CPRO.partition*2*len; */ mem=CPRO.partition*len*2; // *2, because of row and column in matrix sprintf(buf,"%li KB",long(mem/1024)); aw_root->awar("tmp/cpro/mempartition")->write_string(buf); mem+=resolution*3*sizeof(STATTYPE)*len; sprintf(buf,"%li KB",long(mem/1024)); aw_root->awar("tmp/cpro/memstatistic")->write_string(buf); free(align); if( (faultmessage=GB_pop_transaction(GLOBAL_gb_main)) ) { aw_question(faultmessage,"OK,EXIT"); return; } } void create_cprofile_var(AW_root *aw_root, AW_default aw_def) { aw_root->awar_string( "cpro/alignment", "" ,aw_def); aw_root->awar_string( "cpro/which_species","marked",aw_def); aw_root->awar_string( "cpro/which_result","transversion",aw_def); aw_root->awar_string( "cpro/countgaps", "",aw_def); aw_root->awar_string( "cpro/condensename", "PVD",aw_def); aw_root->awar_float( "cpro/transratio",0.5,aw_def); aw_root->awar_int( AWAR_CURSOR_POSITION,1,GLOBAL_gb_main); aw_root->awar_int( "cpro/maxdistance",100,aw_def); aw_root->awar_int( "cpro/resolution",100,aw_def); aw_root->awar_int( "cpro/partition",100,aw_def); aw_root->awar_int( "cpro/drawmode0",0,aw_def); aw_root->awar_int( "cpro/drawmode1",0,aw_def); aw_root->awar_int( "cpro/leastaccu",3,aw_def); aw_root->awar_int( "cpro/leastmax",50,aw_def); aw_root->awar_int( "cpro/firsttoreach",50,aw_def); aw_root->awar_int( "cpro/firstreachedstep",4,aw_def); aw_root->awar_int( "cpro/leastcompares",300,aw_def); aw_root->awar_string("tmp/cpro/mempartition","",aw_def); aw_root->awar_int( "cpro/gridhorizontal",20,aw_def); aw_root->awar_int( "cpro/gridvertical",20,aw_def); aw_root->awar_string( "tmp/cpro/which1","",aw_def); aw_root->awar_string( "tmp/cpro/which2","",aw_def); aw_root->awar_string( "tmp/cpro/nowres1","",aw_def); aw_root->awar_string( "tmp/cpro/nowres2","",aw_def); aw_root->awar_string( "tmp/cpro/memstatistic","",aw_def); aw_root->awar_string( "tmp/cpro/memfor1","",aw_def); aw_root->awar_string( "tmp/cpro/memfor2","",aw_def); aw_create_selection_box_awars(aw_root, "cpro/save", ".", ".cpr", "", aw_def); aw_create_selection_box_awars(aw_root, "cpro/load", ".", ".cpr", "", aw_def); memset((char *)&CPRO,0,sizeof(struct CPRO_struct)); } static float CPRO_statisticaccumulation(long res,long column,unsigned char which_statistic) { STATTYPE hits=0, sum=0, group=0, different=0; long base=3*res; if(!(CPRO.result[which_statistic].statistic[base+0])) hits=0; else hits=CPRO.result[which_statistic].statistic[base+0][column]; if(!(CPRO.result[which_statistic].statistic[base+1])) group=0; else group=CPRO.result[which_statistic].statistic[base+1][column]; if(!(CPRO.result[which_statistic].statistic[base+2])) different=0; else different=CPRO.result[which_statistic].statistic[base+2][column]; sum=hits+group+different; return ((float)sum); } // reports how many equal,group and differ entries are at a certain distance // at a certain column; mode=1 means smoothing is on. void CPRO_getfromstatistic(float &equal,float &ingroup,long res,long column, unsigned char which_statistic,char mode) { STATTYPE hits=0, sum=0, group=0, different=0; long base=3*res; if(!(CPRO.result[which_statistic].statistic[base+0])) hits=0; else hits=CPRO.result[which_statistic].statistic[base+0][column]; if(!(CPRO.result[which_statistic].statistic[base+1])) group=0; else group=CPRO.result[which_statistic].statistic[base+1][column]; if(!(CPRO.result[which_statistic].statistic[base+2])) different=0; else different=CPRO.result[which_statistic].statistic[base+2][column]; sum=hits+group+different; if(!(mode)) { if(sum) { equal=(float)hits/(float)sum; ingroup=((float)hits+(float)group)/(float)sum; } else { equal=1.0; ingroup=1.0; } return; } else { float accu=pow(sum/(float)CPRO.result[which_statistic].maxaccu,0.0675); float distance=(float)CPRO.result[which_statistic].drawmode*.01* CPRO.result[which_statistic].resolution; float alpha=0.0; // alpha=0.0 no smoothing; alpha=0.99 high smoothing if(distance>0.0000001) { alpha=1.0-accu/distance; if(alpha<0) alpha=0; } if(res==0) { CPRO.Z_it_group=1.0; CPRO.Z_it_equal=1.0; } if(sum) { equal=(float)hits/(float)sum; ingroup=((float)hits+(float)group)/(float)sum; equal=(1-alpha)*equal+alpha*CPRO.Z_it_equal; ingroup=(1-alpha)*ingroup+alpha*CPRO.Z_it_group; } else { equal=CPRO.Z_it_equal; ingroup=CPRO.Z_it_group; } CPRO.Z_it_equal=equal; CPRO.Z_it_group=ingroup; } } void CPRO_box(AW_device *device,int gc,float l,float t,float width,float high) { device->box(gc, false, l, t, width, high, 1, (AW_CL)0, (AW_CL)0); } float CPRO_confidinterval(long res,long column,unsigned char which_statistic,char mode) { STATTYPE hits=0, sum=0, group=0, different=0; long base=3*res; if(!(CPRO.result[which_statistic].statistic[base+0])) hits=0; else hits=CPRO.result[which_statistic].statistic[base+0][column]; if(!(CPRO.result[which_statistic].statistic[base+1])) group=0; else group=CPRO.result[which_statistic].statistic[base+1][column]; if(!(CPRO.result[which_statistic].statistic[base+2])) different=0; else different=CPRO.result[which_statistic].statistic[base+2][column]; sum=hits+group+different; if(!(mode)) return(1/sqrt((float)sum)/2.0); else return(0.0); } void CPRO_drawstatistic (AW_device *device,unsigned char which_statistic) { float topdistance=70.0,leftdistance=40.0; float rightdistance=20.0,bottomdistance=10.0; float betweendistance=30.0; float firstavailable=.65; float secondavailable=.35; /* points are in the areas and without the frame */ float topfirst, leftfirst, widthfirst, highfirst; float topsecond, leftsecond, widthsecond, highsecond; float highboth; float equal,ingroup; char mode=CPRO.result[which_statistic].drawmode; AW_rectangle rect; device->get_area_size(&rect); device->reset(); device->clear(-1); topfirst=39.0; leftfirst=20.0; widthfirst=(rect.r-rect.l)-leftdistance-1-rightdistance; widthsecond=(rect.r-rect.l)-leftdistance-1-rightdistance; highboth=(rect.b-rect.t)-topdistance-bottomdistance-betweendistance-4; if((highboth<12.0)||(widthfirst<10.0)) return; highfirst=(float)(long)(highboth*firstavailable); highsecond=(float)(long)(highboth*secondavailable)+1; topfirst=topdistance+1; leftfirst=leftdistance; topsecond=rect.b-bottomdistance-highsecond; leftsecond=leftdistance+1; CPRO_box(device,GC_black,leftfirst-1,topfirst-1, widthfirst+2,highfirst+2); CPRO_box(device,GC_black,leftsecond-1,topsecond-1, widthsecond+2,highsecond+2); device->text(GC_black,"column",leftdistance+82,14,0,1,0,0); /* draw grid and inscribe axes*/ char buf[30]; long gridx,gridy; float xpos=leftdistance,ypos; sprintf(buf," character difference"); device->text(GC_black,buf,leftdistance-40,topdistance-7,0,1,0,0); device->text(GC_black," 0%", leftdistance-26,topdistance+4+highfirst,0,1,0,0); for(gridy=CPRO.gridhorizontal;gridy<100;gridy+=CPRO.gridhorizontal) { ypos=topdistance+1+(1.0-(float)gridy*0.01)*(highfirst-1); device->line(GC_grid,xpos,ypos,xpos+widthfirst,ypos,1,0,0); sprintf(buf,"%3ld%%",gridy); device->text(GC_black,buf,xpos-27,ypos+4,0,1,0,0); } device->text(GC_black,"100%",leftdistance-26,topdistance+5,0,1,0,0); device->text(GC_black,"sequence distance", leftdistance+widthfirst-95,topdistance+highfirst+25,0,1,0,0); device->text(GC_black," 0%", leftdistance-11,topdistance+14+highfirst,0,1,0,0); ypos=topdistance+1; for(gridx=CPRO.gridvertical;(float)gridx<=100.0*CPRO.maxdistance; gridx+=CPRO.gridvertical) { xpos=leftdistance+1+(float)gridx*0.01/CPRO.maxdistance*widthfirst; if((float)gridx*0.01<1.0*CPRO.maxdistance) device->line(GC_grid,xpos,ypos,xpos,ypos+highfirst,1,0,0); sprintf(buf,"%3ld%%",gridx); device->text(GC_black,buf,xpos-12,ypos+13+highfirst,0,1,0,0); } if(!CPRO.result[which_statistic].statisticexists) return; if((CPRO.column<1)||(CPRO.column>CPRO.result[which_statistic].maxalignlen)) return; /* fill first box */ float accu,confidinterval; float step=widthfirst/CPRO.result[which_statistic].resolution; float linelength=step/CPRO.maxdistance; float ytop,ybottom; long firstx; for(firstx=0; firstx=(float)CPRO.leastaccu) { xpos=(float)firstx*step/CPRO.maxdistance+leftfirst; ypos=topfirst+equal*highfirst; // do not draw outside canvas-box if(xpos+linelength > leftfirst+widthfirst+1) continue; confidinterval=highfirst* CPRO_confidinterval(firstx,CPRO.column-1,which_statistic,mode); ytop=ypos-confidinterval; if(ytop>=topfirst) { device->line(GC_blue,xpos,ytop,xpos+linelength,ytop,1,0,0); } else { ytop=topfirst; } device->line(GC_blue,xpos+linelength/2,ytop,xpos+linelength/2,ypos,1,0,0); ybottom=ypos+confidinterval; if(ybottomline(GC_blue,xpos,ybottom,xpos+linelength,ybottom,1,0,0);} else { ybottom=topfirst+highfirst-1; } device->line(GC_blue,xpos+linelength/2,ybottom,xpos+linelength/2,ypos,1,0,0); ypos=topfirst+ingroup*highfirst; ytop=ypos-confidinterval; if(ytop>=topfirst) { device->line(GC_green,xpos,ytop,xpos+linelength,ytop,1,0,0); } else { ytop=topfirst; } device->line(GC_green,xpos+linelength/2,ytop,xpos+linelength/2,ypos,1,0,0); ybottom=ypos+confidinterval; if(ybottomline(GC_green,xpos,ybottom,xpos+linelength,ybottom,1,0,0);} else { ybottom=topfirst+highfirst-1; } device->line(GC_green,xpos+linelength/2,ybottom,xpos+linelength/2,ypos,1,0,0); } } float resaccu; float rate; sprintf(buf," %5ld",CPRO.result[which_statistic].maxaccu); device->text(GC_black," max",leftsecond-50,topsecond,0,1,0,0); device->text(GC_black,buf,leftsecond-43,topsecond+10*1,0,1,0,0); device->text(GC_black," pairs",leftsecond-50,topsecond+10*3,0,1,0,0); /*fill second box*/ for(firstx=0;firstx<(long)widthsecond;firstx++) { resaccu=CPRO_statisticaccumulation( (long)(firstx*CPRO.result[which_statistic].resolution /widthsecond*CPRO.maxdistance),CPRO.column-1,which_statistic); rate=1.0-(sqrt(resaccu)/sqrt(CPRO.result[which_statistic].maxaccu)); device->line(GC_black,firstx+leftsecond,topsecond+rate*highsecond, firstx+leftsecond,topsecond+highsecond,1,0,0); } } static void CPRO_resize_cb(AW_window *aws, AW_CL which_statistic, AW_CL) { AW_root *awr=aws->get_root(); CPRO.column=awr->awar(AWAR_CURSOR_POSITION)->read_int(); CPRO.gridvertical=(long)awr->awar("cpro/gridvertical")->read_int(); CPRO.gridhorizontal=(long)awr->awar("cpro/gridhorizontal")->read_int(); CPRO.leastaccu=awr->awar("cpro/leastaccu")->read_int(); if (CPRO.leastaccu<=0) CPRO.leastaccu=1; AW_device *device=aws->get_device(AW_INFO_AREA); device->reset(); CPRO_drawstatistic(device,(char)which_statistic); } static void CPRO_expose_cb( AW_window *aws,AW_CL which_statistic, AW_CL) { AW_root *awr=aws->get_root(); CPRO.column=awr->awar(AWAR_CURSOR_POSITION)->read_int(); char buf[80]; sprintf(buf,"cpro/drawmode%d",(int)which_statistic); CPRO.result[which_statistic].drawmode=(char)awr->awar(buf)->read_int(); CPRO.gridvertical=(long)awr->awar("cpro/gridvertical")->read_int(); CPRO.gridhorizontal=(long)awr->awar("cpro/gridhorizontal")->read_int(); CPRO.leastaccu=awr->awar("cpro/leastaccu")->read_int(); if (CPRO.leastaccu<=0) CPRO.leastaccu=1; long maxd=awr->awar("cpro/maxdistance")->read_int(); if((maxd>0)&&(maxd<101))CPRO.maxdistance=(float)maxd/100.0; AW_device *device=aws->get_device (AW_INFO_AREA); CPRO_drawstatistic(device,(char)which_statistic); } static void CPRO_column_cb(AW_root *awr,AW_window *aws,AW_CL which_statistic) { char buf[80]; sprintf(buf,"cpro/drawmode%d",(int)which_statistic); CPRO.result[which_statistic].drawmode=(char)awr->awar(buf)->read_int(); CPRO_expose_cb(aws,which_statistic,0); } void CPRO_columnminus_cb(AW_window *aws) { AW_root *awr = aws->get_root(); if (CPRO.column>1) awr->awar(AWAR_CURSOR_POSITION)->write_int(CPRO.column-1); } void CPRO_columnplus_cb(AW_window *aws, AW_CL /*which_statistic*/, AW_CL) { AW_root *awr = aws->get_root(); awr->awar(AWAR_CURSOR_POSITION)->write_int(CPRO.column+1); /*if(CPRO.columnawar(AWAR_CURSOR_POSITION)->write_int(CPRO.column+1); }*/ } void CPRO_savestatistic_cb(AW_window *aw,AW_CL which_statistic) { AW_root *awr = aw->get_root(); char *filename = awr->awar("cpro/save/file_name")->read_string(); GB_ERROR error = 0; if (!filename) { error = "no filename"; } else { const CPRO_result_struct& curr_stat = CPRO.result[which_statistic]; if (!(curr_stat.statisticexists)) { error = "calculate first!"; } else { GBDATA *newbase = GB_open(filename,"wc"); if (!newbase) error = GB_await_error(); else { error = GB_begin_transaction(newbase); if (!error) error = GBT_write_int (newbase, "cpro_resolution", curr_stat.resolution); if (!error) error = GBT_write_int (newbase, "cpro_maxalignlen", curr_stat.maxalignlen); if (!error) error = GBT_write_int (newbase, "cpro_maxaccu", curr_stat.maxaccu); if (!error) error = GBT_write_int (newbase, "cpro_memneeded", curr_stat.memneeded); if (!error) error = GBT_write_string(newbase, "cpro_alignname", curr_stat.alignname); if (!error) error = GBT_write_string(newbase, "cpro_which_species", curr_stat.which_species); if (!error) error = GBT_write_float (newbase, "cpro_ratio", curr_stat.ratio); if (!error) error = GBT_write_int (newbase, "cpro_gaps", curr_stat.countgaps); if (!error) { long maxalignlen = curr_stat.maxalignlen; for (long column = 0; columnhide_or_notify(error); } void CPRO_loadstatistic_cb(AW_window *aw,AW_CL which_statistic) { AW_root *awr = aw->get_root(); char *filename = awr->awar("cpro/load/file_name")->read_string(); GB_ERROR error = 0; if (!filename) { error = "missing filename"; } else { GBDATA *oldbase = GB_open(filename,"r"); if (!oldbase) { error = GBS_global_string("can't read DB '%s'", filename); } else { error = GB_begin_transaction(oldbase); if (!error) { if (CPRO.result[which_statistic].statisticexists) { CPRO_freestatistic((char)which_statistic); } GBDATA *gb_param = GB_search(oldbase,"cpro_resolution",GB_FIND); if (!gb_param) error = "not a valid statistic"; else { CPRO.result[which_statistic].resolution = GB_read_int(gb_param); gb_param = GB_search(oldbase,"cpro_maxalignlen",GB_FIND); CPRO.result[which_statistic].maxalignlen = GB_read_int(gb_param); gb_param=GB_search(oldbase,"cpro_maxaccu",GB_FIND); CPRO.result[which_statistic].maxaccu=GB_read_int(gb_param); gb_param=GB_search(oldbase,"cpro_memneeded",GB_FIND); CPRO.result[which_statistic].memneeded=GB_read_int(gb_param); gb_param=GB_search(oldbase,"cpro_alignname",GB_FIND); strcpy(CPRO.result[which_statistic].alignname,GB_read_char_pntr(gb_param)); gb_param=GB_search(oldbase,"cpro_which_species",GB_FIND); if(gb_param) strcpy(CPRO.result[which_statistic].which_species, GB_read_char_pntr(gb_param)); CPRO.result[which_statistic].statistic=(STATTYPE **)calloc((size_t)CPRO.result[which_statistic].resolution*3+3, sizeof(STATTYPE *)); GBDATA *gb_colrescontainer = GB_entry(oldbase, "column"); for (long column=0; columnhide_or_notify(error); free(filename); } static AW_window *CPRO_savestatisticwindow_cb(AW_root *aw_root,AW_CL cl_which_statistic) { static AW_window *aw[2] = { 0, 0 }; // one window for each value of 'which_statistic' int which_statistic = int(cl_which_statistic); ap_assert(which_statistic >= 0 && which_statistic <= 1); if (!aw[which_statistic]) { AW_window_simple *aws = new AW_window_simple; char *window_id = GBS_global_string_copy("SAVE_CPRO_STATISTIC_%i", which_statistic); aws->init( aw_root, window_id, "SAVE STATISTIC"); aws->load_xfig("sel_box.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("save");aws->callback(CPRO_savestatistic_cb,which_statistic); aws->create_button("SAVE","SAVE","S"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("cancel"); aws->create_button("CANCEL","CANCEL","C"); awt_create_selection_box(aws,"cpro/save"); free(window_id); aw[which_statistic] = aws; } return aw[which_statistic]; } static AW_window *CPRO_loadstatisticwindow_cb(AW_root *aw_root, AW_CL cl_which_statistic) { static AW_window *aw[2] = { 0, 0 }; // one window for each value of 'which_statistic' int which_statistic = int(cl_which_statistic); ap_assert(which_statistic >= 0 && which_statistic <= 1); if (!aw[which_statistic]) { AW_window_simple *aws = new AW_window_simple; char *window_id = GBS_global_string_copy("LOAD_CPRO_STATISTIC_%i", which_statistic); aws->init(aw_root, window_id, "LOAD STATISTIC"); aws->load_xfig("sel_box.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("save");aws->callback(CPRO_loadstatistic_cb,which_statistic); aws->create_button("LOAD","LOAD","S"); awt_create_selection_box(aws,"cpro/load"); free(window_id); aw[which_statistic] = aws; } return aw[which_statistic]; } // search point of resolution when half maximum if reached (for condense) float CPRO_gethalfmaximum(long column,float maximum,float firsttoreach, char transversion,unsigned char which_statistic,char mode) { float equal,ingroup,interest; float interval,sum; float halfmax=0.0; long res; for(res=0;res=CPRO.leastaccu) { CPRO_getfromstatistic(equal,ingroup,res,column, which_statistic,mode); if(transversion) interest=1.0-ingroup; else interest=1.0-equal; interval=CPRO_confidinterval(res,column,which_statistic,mode); if(interest-interval>=maximum*firsttoreach) { res++; break; } } } halfmax=(float)res/(float)CPRO.result[which_statistic].resolution; return(halfmax-(float)CPRO.result[which_statistic].drawmode*0.01); // delay depending on drawmode } // search maximum distance in character (for condense) float CPRO_getmaximum(long column,char transversion, unsigned char which_statistic,char mode) { float maximum=-101.0,equal,ingroup,interest,sum,interval; for(long res=0;res=CPRO.leastaccu) { CPRO_getfromstatistic(equal,ingroup,res,column, which_statistic,mode); if(transversion) interest=1.0-ingroup; else interest=1.0-equal; interval=CPRO_confidinterval(res,column,which_statistic,mode); if(interest-interval>maximum) maximum=interest-interval; } } //printf("\n"); return(maximum); } void CPRO_condense_cb( AW_window *aw,AW_CL which_statistic ) { AW_root *aw_root = aw->get_root(); char mode=CPRO.result[which_statistic].drawmode; if(!(CPRO.result[which_statistic].statisticexists)) { aw_message("statistic doesn't exist !"); return; } float leastmax=(float)(aw_root->awar("cpro/leastmax")->read_int())/100.0; CPRO.leastaccu= aw_root->awar("cpro/leastaccu")->read_int(); float firsttoreach=(float)(aw_root->awar("cpro/firsttoreach")->read_int())/100.0; float firstreachedstep=(float) (aw_root->awar("cpro/firstreachedstep")->read_int())/100.0; char *transversionstring=aw_root->awar("cpro/which_result")->read_string(); char transversion=1; if(strcmp(transversionstring,"transversions")) transversion=0; free(transversionstring); long maxcol=CPRO.result[which_statistic].maxalignlen; char *savename=aw_root->awar("cpro/condensename")->read_string(); if(savename[0]==0) { free(savename); return; } aw_openstatus("condense statistic");aw_status((double)0); char *result=(char *)calloc((unsigned int)maxcol+1,1); float maximum; float reachedhalf; char steps; for(long column=0;column=leastmax) result[column]='A'; else result[column]='a'; reachedhalf=CPRO_gethalfmaximum(column,maximum,firsttoreach, transversion,(char)which_statistic,mode); for(steps=0;(reachedhalf>firstreachedstep)&&(steps<'Y'-'A');steps++) reachedhalf-=firstreachedstep; result[column]+=steps; } } GB_ERROR error = 0; char *align=CPRO.result[which_statistic].alignname; aw_status("exporting result"); GB_begin_transaction(GLOBAL_gb_main); GBDATA *gb_extended = GBT_find_or_create_SAI(GLOBAL_gb_main,savename); GBDATA *gb_param; const char *typestring = GBS_global_string("RATES BY DISTANCE: [%s] [UPPER_CASE%% %li]" " [ INTERREST%% %li] [STEP/CHAR %li]", (transversion)? "transversion":"all differences", (long)(leastmax*100.0), (long)(firsttoreach*100.0), (long)(firstreachedstep*100.0) ); gb_param=GBT_add_data(gb_extended,align,"_TYPE",GB_STRING); error=GB_write_string(gb_param,typestring); GBDATA *gb_data = GBT_add_data(gb_extended, align,"data", GB_STRING); error = GB_write_string(gb_data,result); aw_closestatus(); GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); free(result); free(savename); } AW_window *CPRO_condensewindow_cb( AW_root *aw_root,AW_CL which_statistic ) { char buf[30]; sprintf(buf,"CONDENSE STATISTIC %ld",(long)which_statistic+1); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root,buf, buf); aws->load_xfig("cpro/condense.fig"); aws->button_length( 8 ); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at( "which_result" ); aws->create_toggle_field( "cpro/which_result", NULL ,"" ); aws->insert_default_toggle( " all\ndifferences", "1", "diffs" ); aws->insert_toggle( " only\ntransversions", "1", "transversions" ); aws->update_toggle_field(); aws->button_length(11); aws->at("begin");aws->callback(CPRO_condense_cb,which_statistic); aws->create_button("CONDENSE_AND_EXPORT", "CONDENSE\nAND EXPORT","E"); aws->at("name");aws->create_input_field("cpro/condensename",11); aws->at("save_box"); awt_create_selection_list_on_extendeds(GLOBAL_gb_main,aws,"cpro/condensename"); return( AW_window *)aws; } AW_window *CPRO_xpert_cb( AW_root *aw_root ) { static AW_window *expertwindow = 0; if(expertwindow) return(expertwindow); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "CPRO_EXPERT_PROPS","EXPERT PROPERTIES"); aws->load_xfig("cpro/expert.fig"); aws->button_length( 8 ); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("partition"); aws->create_input_field("cpro/partition",6); aws->at("leastaccu"); aws->create_input_field("cpro/leastaccu",3); aws->at("leastcompares"); aws->create_input_field("cpro/leastcompares",6); aws->at("gridvertical"); aws->create_input_field("cpro/gridvertical",3); aws->at("gridhorizontal"); aws->create_input_field("cpro/gridhorizontal",3); aws->at("leastmax"); aws->create_input_field("cpro/leastmax",3); aws->at("firsttoreach"); aws->create_input_field("cpro/firsttoreach",3); aws->at("firstreachedstep"); aws->create_input_field("cpro/firstreachedstep",3); aws->label_length(8); aws->button_length(8); aws->at("mempartition");aws->create_button(0,"tmp/cpro/mempartition"); return expertwindow=(AW_window *)aws; } AW_window *CPRO_showstatistic_cb( AW_root *aw_root, AW_CL which_statistic) { char buf[20]; sprintf(buf,"SHOW STATISTIC %d\n",(int)which_statistic+1); AW_window_simple *aws=new AW_window_simple; aws->init( aw_root,buf,buf /*,400,(int)(10+which_statistic*300)*/); aws->load_xfig("cpro/show.fig"); aws->button_length(6); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); //aws->at("xpert");aws->callback(AW_POPUP,(AW_CL)CPRO_xpert_cb,0); aws->at("column"); aws->create_input_field(AWAR_CURSOR_POSITION,4); aws->button_length(3); aws->at("d");aws->callback((AW_CB0)CPRO_columnminus_cb); aws->create_button(0,"-","1"); aws->at("u");aws->callback((AW_CB2)CPRO_columnplus_cb,which_statistic,0); aws->create_button(0,"+","2"); sprintf(buf,"cpro/drawmode%d",(int)which_statistic); aws->at("drawmode");aws->create_option_menu(buf); aws->insert_option( "no smoothing", "n",0); aws->insert_option( "smoothing 1", "1",1); aws->insert_option( "smoothing 2", "2",2); aws->insert_option( "smoothing 3", "3",3); aws->insert_option( "smoothing 5", "5",5); aws->insert_option( "smoothing 10", "6",10); aws->insert_option( "smoothing 15", "7",15); aws->update_option_menu(); aw_root->awar(buf)->add_callback((AW_RCB)CPRO_column_cb,(AW_CL)aws,which_statistic); aw_root->awar("cpro/gridhorizontal")->add_callback((AW_RCB)CPRO_column_cb,(AW_CL)aws,which_statistic); aw_root->awar("cpro/gridvertical")->add_callback((AW_RCB)CPRO_column_cb,(AW_CL)aws,which_statistic); aws->at("maxdistance"); //aws->label("max distance"); aws->create_input_field("cpro/maxdistance",3); aws->set_resize_callback (AW_INFO_AREA, CPRO_resize_cb, which_statistic, 0); aws->set_expose_callback (AW_INFO_AREA, CPRO_expose_cb, which_statistic, 0); aw_root->awar(AWAR_CURSOR_POSITION)->add_callback((AW_RCB)CPRO_column_cb, (AW_CL)aws,which_statistic); aw_root->awar("cpro/maxdistance")->add_callback((AW_RCB)CPRO_column_cb, (AW_CL)aws,which_statistic); aw_root->awar("cpro/maxdistance")->add_callback((AW_RCB)CPRO_column_cb, (AW_CL)aws,which_statistic); aws->button_length( 6); AW_device *device=aws->get_device (AW_INFO_AREA); device->reset(); device->new_gc( GC_black ); device->set_line_attributes(GC_black,0.3,AW_SOLID); device->set_foreground_color(GC_black,AW_WINDOW_FG); device->set_font(GC_black,0,10, 0); device->new_gc( GC_blue ); device->set_line_attributes(GC_blue,0.3,AW_SOLID); device->set_foreground_color(GC_blue,AW_WINDOW_C1); device->new_gc( GC_green ); device->set_line_attributes(GC_green,0.3,AW_SOLID); device->set_foreground_color(GC_green,AW_WINDOW_C2); device->new_gc( GC_grid ); device->set_line_attributes(GC_grid,0.3,AW_DOTTED); device->set_foreground_color(GC_grid,AW_WINDOW_C3); return (AW_window *)aws; } AW_window *CPRO_calculatewin_cb(AW_root *aw_root,AW_CL which_statistic) { char buf[30]; sprintf(buf,"CALCULATE STATISTIC %ld",(long)which_statistic+1); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root,buf,buf); aws->load_xfig("cpro/calc.fig"); aws->button_length( 10 ); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("resolution"); aws->create_input_field("cpro/resolution",8); aws->at("transratio"); aws->create_input_field("cpro/transratio",8); aws->at("which_alignment"); awt_create_selection_list_on_ad(GLOBAL_gb_main, (AW_window *)aws,"cpro/alignment","*="); aws->button_length(10); aws->at("xpert");aws->callback(AW_POPUP,(AW_CL)CPRO_xpert_cb,0); aws->create_button("EXPERT_OPTIONS", "expert...","x"); aws->at("calculate"); aws->callback(CPRO_calculate_cb,(AW_CL)which_statistic); aws->create_button("CALCULATE","CALCULATE","A"); aws->at( "which_species" ); aws->create_toggle_field( "cpro/which_species", NULL ,"" ); aws->insert_toggle( "all vs all", "1", "all" ); aws->insert_toggle( "marked vs marked", "1", "marked" ); aws->insert_default_toggle( "marked vs all", "1", "markedall" ); aws->update_toggle_field(); aws->at( "countgaps" ); aws->create_toggle_field( "cpro/countgaps", NULL ,"" ); aws->insert_toggle( "on", "1", "on" ); aws->insert_default_toggle( "off", "1", "off" ); aws->update_toggle_field(); aws->label_length(8); aws->button_length(8); aws->at("memstatistic"); aws->create_button(0,"tmp/cpro/memstatistic"); return (AW_window *)aws; } /* ----------------------------------------------------------------- * Function: AP_open_cprofile_window * * Arguments: . * * Returns: . * * Description: Draws window, initializes callback for most important * function, CPRO_begin_cb * * NOTE: . * * Global Variables referenced: . * * Global Variables modified: x * * AWARs referenced: . * * AWARs modified: x * * Dependencies: Needs xfig file cprofile.fig * ----------------------------------------------------------------- */ AW_window * AP_open_cprofile_window( AW_root *aw_root) { AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "CPR_MAIN", "Conservation Profile: Distance Matrix"); aws->load_xfig("cpro/main.fig"); aws->button_length( 10 ); GB_push_transaction(GLOBAL_gb_main); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"pos_variability.ps"); aws->create_button("HELP","HELP","H"); aws->button_length(10); aws->at("xpert");aws->callback(AW_POPUP,(AW_CL)CPRO_xpert_cb,0); aws->create_button("EXPERT_OPTIONS","expert...","x"); /* start action by button */ aws->button_length(17); aws->at("calculate1");aws->callback(AW_POPUP,(AW_CL)CPRO_calculatewin_cb,0); aws->create_button("GO_STAT_1", "calculate as\nstatistic 1 ...","c"); aws->at("calculate2");aws->callback(AW_POPUP,(AW_CL)CPRO_calculatewin_cb,1); aws->create_button("GO_STAT_2", "calculate as\nstatistic 2 ...","a"); aws->button_length(17); aws->at("save1");aws->callback(AW_POPUP,(AW_CL)CPRO_savestatisticwindow_cb,0); aws->create_button("SAVE_STAT_1", "save\nstatistic 1 ...","s"); aws->at("save2");aws->callback(AW_POPUP,(AW_CL)CPRO_savestatisticwindow_cb,1); aws->create_button("SAVE_STAT_2", "save\nstatistic 2 ...","v"); aws->button_length( 17); aws->at("show1");aws->callback(AW_POPUP,(AW_CL)CPRO_showstatistic_cb,0); aws->create_button("SHOW_STAT_!", "show\ngraph 1 ...","h"); aws->at("show2");aws->callback(AW_POPUP,(AW_CL)CPRO_showstatistic_cb,1); aws->create_button("SHOW_STAT_2", "show\ngraph 2 ...","w"); aws->button_length( 17); aws->at("load1");aws->callback(AW_POPUP,(AW_CL)CPRO_loadstatisticwindow_cb,0); aws->create_button("LOAD_STAT_1", "load\nstatistic 1 ... ","l"); aws->at("load2");aws->callback(AW_POPUP,(AW_CL)CPRO_loadstatisticwindow_cb,1); aws->create_button("LOAD_STAT_2", "load\nstatistic 2 ...","d"); aws->at("condense1");aws->callback(AW_POPUP, (AW_CL)CPRO_condensewindow_cb,0); aws->create_button("CONDENSE_STAT_1", "condense\nstatistic 1 ...","o"); aws->at("condense2");aws->callback(AW_POPUP, (AW_CL)CPRO_condensewindow_cb,1); aws->create_button("CONDENSE_STAT_2", "condense\nstatistic 2 ...","n"); aws->at("memfor1");aws->create_button(0,"tmp/cpro/memfor1"); aws->at("memfor2");aws->create_button(0,"tmp/cpro/memfor2"); aws->at("which1");aws->create_button(0,"tmp/cpro/which1"); aws->at("which2");aws->create_button(0,"tmp/cpro/which2"); aws->at("resolution1");aws->create_button(0,"tmp/cpro/nowres1"); aws->at("resolution2");aws->create_button(0,"tmp/cpro/nowres2"); aw_root->awar("cpro/alignment")->add_callback(CPRO_memrequirement_cb); aw_root->awar("cpro/partition")->add_callback(CPRO_memrequirement_cb); aw_root->awar("cpro/resolution")->add_callback(CPRO_memrequirement_cb); aw_root->awar("cpro/which_species")->add_callback(CPRO_memrequirement_cb); GB_pop_transaction(GLOBAL_gb_main); CPRO_memrequirement_cb(aw_root); return (AW_window *)aws; } ./arbsrc_9167/NTREE/AP_csp_2_gnuplot.cxx0000644012664100000130000004362011440743000017674 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "ap_csp_2_gnuplot.hxx" #ifndef ARB_ASSERT_H #include #endif #define nt_assert(bed) arb_assert(bed) extern GBDATA *GLOBAL_gb_main; // ------------------------------------------------------------------------------------------------------------------------------ // static GB_ERROR split_stat_filename(const char *fname, char **dirPtr, char **name_prefixPtr, char **name_postfixPtr) // ------------------------------------------------------------------------------------------------------------------------------ static GB_ERROR split_stat_filename(const char *fname, char **dirPtr, char **name_prefixPtr, char **name_postfixPtr) { // 'fname' is sth like 'directory/prefix.sth_gnu' // 'dirPtr' is set to a malloc-copy of 'directory' // 'name_prefixPtr' is set to a malloc-copy of 'prefix' (defaults to '*') // 'name_postfixPtr' is set to a malloc-copy of 'sth_gnu' (defaults to '*_gnu') *dirPtr = 0; *name_prefixPtr = 0; *name_postfixPtr = 0; const char *lslash = strrchr(fname, '/'); if (!lslash) return GB_export_errorf("'%s' has to contain a '/'", fname); char *dir = strdup(fname); dir[lslash-fname] = 0; // cut off at last '/' char *name_prefix = strdup(lslash+1); char *name_postfix = 0; char *ldot = strrchr(name_prefix, '.'); if (ldot) { ldot[0] = 0; name_postfix = strdup(ldot+1); } if (!ldot || name_prefix[0] == 0) freedup(name_prefix, "*"); // no dot or empty name_prefix if (!name_postfix || name_postfix[0] == 0) freedup(name_postfix, "*_gnu"); nt_assert(name_prefix); nt_assert(name_postfix); *dirPtr = dir; *name_prefixPtr = name_prefix; *name_postfixPtr = name_postfix; return 0; } // ------------------------------------------------------------------------------------------- // static char * get_overlay_files(AW_root *awr, const char *fname, GB_ERROR& error) // ------------------------------------------------------------------------------------------- static char * get_overlay_files(AW_root *awr, const char *fname, GB_ERROR& error) { nt_assert(!error); bool overlay_prefix = awr->awar(AP_AWAR_CSP_GNUPLOT_OVERLAY_PREFIX)->read_int(); bool overlay_postfix = awr->awar(AP_AWAR_CSP_GNUPLOT_OVERLAY_POSTFIX)->read_int(); char *dir, *name_prefix, *name_postfix; error = split_stat_filename(fname, &dir, &name_prefix, &name_postfix); char *found_files = 0; if (!error) { char *found_prefix_files = 0; char *found_postfix_files = 0; if (overlay_prefix || overlay_postfix) { char *mask = GBS_global_string_copy("%s.*_gnu", name_prefix); if (overlay_prefix) { #if defined(DEVEL_RALF) #warning change error handling for GB_find_all_files() - globally! #endif // DEVEL_RALF found_prefix_files = GB_find_all_files(dir, mask, GB_FALSE); if (!found_prefix_files) error = GB_get_error(); } free(mask); if (!error) { mask = GBS_global_string_copy("*.%s", name_postfix); if (overlay_postfix) { found_postfix_files = GB_find_all_files(dir, mask, GB_FALSE); if (!found_postfix_files) error = GB_get_error(); } free(mask); } } if (!error) { if (found_prefix_files) { if (found_postfix_files) { found_files = GBS_global_string_copy("%s*%s", found_prefix_files, found_postfix_files); } else { // only found_prefix_files found_files = found_prefix_files; found_prefix_files = 0; } } else { found_files = found_postfix_files; found_postfix_files = 0; } } free(found_postfix_files); free(found_prefix_files); } free(name_postfix); free(name_prefix); free(dir); return found_files; } enum PlotType { PT_GC_RATIO, PT_GA_RATIO, PT_RATE, PT_TT_RATIO, PT_MOST_FREQUENT_BASE, PT_SECOND_FREQUENT_BASE, PT_THIRD_FREQUENT_BASE, PT_LEAST_FREQUENT_BASE, PT_BASE_A, PT_BASE_C, PT_BASE_G, PT_BASE_TU, PT_HELIX, PT_PLOT_TYPES, PT_UNKNOWN }; static const char *plotTypeName[PT_PLOT_TYPES] = { "gc_gnu", "ga_gnu", "rate_gnu", "tt_gnu", "f1_gnu", "f2_gnu", "f3_gnu", "f4_gnu", "a_gnu", "c_gnu", "g_gnu", "tu_gnu", "helix_gnu" }; static const char *plotTypeDescription[PT_PLOT_TYPES] = { "G+C ratio", "G+A ratio", "Rate", "TT Ratio", "Most frequent base", "2nd frequent base", "3rd frequent base", "Least frequent base", "A ratio", "C ratio", "G ratio", "T/U ratio", "Helix" }; static PlotType string2PlotType(const char *type) { for (int pt = 0; pt write file // cl_mode = 1 -> write file and run gnuplot // cl_mode = 2 -> delete all files with same prefix GB_transaction dummy(GLOBAL_gb_main); AWT_csp *csp = (AWT_csp *)cspcd; GB_ERROR error = 0; AP_filter filter; int mode = int(cl_mode); if (mode != 2) { char *filterstring = aww->get_root()->awar(AP_AWAR_FILTER_FILTER)->read_string(); char *alignment_name = aww->get_root()->awar(AP_AWAR_FILTER_ALIGNMENT)->read_string(); long alignment_length = GBT_get_alignment_len(GLOBAL_gb_main,alignment_name); error = filter.init(filterstring,"0",alignment_length); free(alignment_name); free(filterstring); if (!error) error = csp->go(&filter); if (!error && !csp->seq_len) error = "Please select column statistic"; } if (!error) { char *fname = aww->get_root()->awar(AP_AWAR_CSP_FILENAME)->read_string(); if (!strchr(fname, '/')) freeset(fname, GBS_global_string_copy("./%s", fname)); if (strlen(fname) < 1) error = "Please enter file name"; if (mode == 2) { // delete overlay files if (!error) { char *found_files = get_overlay_files(aww->get_root(), fname, error); if (found_files) { for (char *name = strtok(found_files, "*"); name; name = strtok(0, "*")) { printf("Deleting gnuplot file '%s'\n", name); if (unlink(name) != 0) printf("Can't delete '%s'\n", name); } free(found_files); aww->get_root()->awar(AP_AWAR_CSP_DIRECTORY)->touch(); // reload file selection box } } } else { FILE *out = 0; if (!error) { out = fopen(fname,"w"); if (!out) error = GB_export_errorf("Cannot write to file '%s'",fname); } nt_assert(out || error); if (!error) { char *type = aww->get_root()->awar(AP_AWAR_CSP_SUFFIX)->read_string(); long smooth = aww->get_root()->awar(AP_AWAR_CSP_SMOOTH)->read_int()+1; double val; double smoothed = 0; unsigned int j; float *f[4]; if (type[0] == 'f') { // sort frequencies int wf; int c = 0; for (wf = 0; wf <256 && c <4; wf++) { if (csp->frequency[wf]) f[c++] = csp->frequency[wf]; } int k,l; for (k=3;k>0;k--) { for (l=0;lseq_len; j++) { if (f[l][j] > f[l+1][j]) { float h; h = f[l][j]; f[l][j] = f[l+1][j]; f[l+1][j] = h; } } } } } PlotType plot_type = string2PlotType(type); nt_assert(plot_type != PT_UNKNOWN); // 'type' is not a PlotType for (j=0;jseq_len; j++) { if (!csp->weights[j]) continue; fprintf(out,"%i ",j); double amount = csp->frequency[(unsigned char)'A'][j] + csp->frequency[(unsigned char)'C'][j] + csp->frequency[(unsigned char)'G'][j] + csp->frequency[(unsigned char)'U'][j] ; switch (plot_type) { case PT_GC_RATIO: val = ( csp->frequency[(unsigned char)'G'][j] + csp->frequency[(unsigned char)'C'][j] ) / amount; break; case PT_GA_RATIO: val = ( csp->frequency[(unsigned char)'G'][j] + csp->frequency[(unsigned char)'A'][j] ) / amount; break; case PT_BASE_A: val = csp->frequency[(unsigned char)'A'][j] / amount; break; case PT_BASE_C: val = csp->frequency[(unsigned char)'C'][j] / amount; break; case PT_BASE_G: val = csp->frequency[(unsigned char)'G'][j] / amount; break; case PT_BASE_TU: val = csp->frequency[(unsigned char)'U'][j] / amount; break; case PT_RATE: val = csp->rates[j]; break; case PT_TT_RATIO: val = csp->ttratio[j]; break; case PT_HELIX: val = csp->is_helix[j]; break; case PT_MOST_FREQUENT_BASE: val = f[3][j]; break; case PT_SECOND_FREQUENT_BASE: val = f[2][j]; break; case PT_THIRD_FREQUENT_BASE: val = f[1][j]; break; case PT_LEAST_FREQUENT_BASE: val = f[0][j]; break; default: { nt_assert(0); // unknown calculation requested.. val = 0; } } smoothed = val/smooth + smoothed *(smooth-1)/(smooth); fprintf(out,"%f\n",smoothed); } free(type); fclose(out); out = 0; } if (!error) { aww->get_root()->awar(AP_AWAR_CSP_DIRECTORY)->touch(); // reload file selection box if (mode == 1) { // run gnuplot ? char *command_file; char *command_name = GB_unique_filename("arb", "gnuplot"); out = GB_fopen_tempfile(command_name, "wt", &command_file); if (!out) error = GB_await_error(); else { char *smooth = aww->get_root()->awar(AP_AWAR_CSP_SMOOTH_GNUPLOT)->read_string(); char *found_files = get_overlay_files(aww->get_root(), fname, error); fprintf(out, "set samples 1000\n"); bool plotted = false; // set to true after first 'plot' command (other plots use 'replot') const char *plot_command[] = { "plot", "replot" }; if (found_files) { for (char *name = strtok(found_files, "*"); name; name = strtok(0, "*")) { if (strcmp(name, fname) != 0) { // latest data file is done below fprintf(out, "%s \"%s\" %s title \"%s\"\n", plot_command[int(plotted)], name, smooth, makeTitle(name)); plotted = true; } } free(found_files); } fprintf(out, "%s \"%s\" %s title \"%s\"\n", plot_command[int(plotted)], fname, smooth, makeTitle(fname)); fprintf(out, "pause -1 \"Press RETURN to close gnuplot\"\n"); fclose(out); out = 0; if (mode == 1) { char *script = GBS_global_string_copy("gnuplot %s && rm -f %s", command_file, command_file); GB_xcmd(script, GB_TRUE, GB_TRUE); free(script); } else { nt_assert(mode == 2); GB_unlink_or_warn(command_file, &error); } free(smooth); } free(command_file); free(command_name); } } } free(fname); } if (error) aw_message(error); } AW_window *AP_open_csp_2_gnuplot_window( AW_root *root ){ GB_transaction dummy(GLOBAL_gb_main); AWT_csp *csp = new AWT_csp(GLOBAL_gb_main,root,AP_AWAR_CSP_NAME); AW_window_simple *aws = new AW_window_simple; aws->init( root, "EXPORT_CSP_TO_GNUPLOT", "Export Column statistic to GnuPlot"); aws->load_xfig("cpro/csp_2_gnuplot.fig"); root->awar_string(AWAR_DEFAULT_ALIGNMENT, "", GLOBAL_gb_main); root->awar_int(AP_AWAR_CSP_SMOOTH); root->awar_int(AP_AWAR_CSP_GNUPLOT_OVERLAY_POSTFIX); root->awar_int(AP_AWAR_CSP_GNUPLOT_OVERLAY_PREFIX); root->awar_string(AP_AWAR_CSP_SMOOTH_GNUPLOT); root->awar_string(AP_AWAR_CSP_NAME); root->awar_string(AP_AWAR_CSP_ALIGNMENT); root->awar(AP_AWAR_CSP_ALIGNMENT)->map(AWAR_DEFAULT_ALIGNMENT); // csp of the correct al. root->awar_string(AP_AWAR_FILTER_NAME); root->awar_string(AP_AWAR_FILTER_FILTER); root->awar_string(AP_AWAR_FILTER_ALIGNMENT); root->awar(AP_AWAR_FILTER_ALIGNMENT)->map(AWAR_DEFAULT_ALIGNMENT); // csp of the correct al. aw_create_selection_box_awars(root, AP_AWAR_CSP, "", ".gc_gnu", "noname.gc_gnu"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"csp_2_gnuplot.hlp"); aws->create_button("HELP","HELP","H"); awt_create_selection_box(aws,AP_AWAR_CSP); aws->at("csp"); create_selection_list_on_csp(aws,csp); aws->at("what"); AW_selection_list* selid = aws->create_selection_list(AP_AWAR_CSP_SUFFIX); for (int pt = 0; ptinsert_selection(selid, plotTypeDescription[pt], plotTypeName[pt]); } aws->insert_default_selection(selid, "\n",argv[0]); exit(1); } if (!error) { const char *input_DB_name = argv[1]; printf( "Opening probe-group-database '%s'..", input_DB_name ); pb_main = GB_open(input_DB_name, "rwcN"); if (!pb_main) error = GB_await_error(); } printf( "loaded database (enter to continue)\n" ); // getchar(); GB_transaction dummy(pb_main); GBDATA *group_tree = GB_entry( pb_main, "group_tree"); if (!group_tree) { printf( "no 'group_tree' in database\n" ); error = GB_export_error( "no 'group_tree' in database" ); exit(1); } GBDATA *first_level_node = PS_get_first_node( group_tree ); if (!first_level_node) { printf( "no 'node' found in group_tree\n" ); error = GB_export_error( "no 'node' found in group_tree" ); exit(1); } printf( "dumping probes...\n" ); first_level_node = PS_get_first_node( group_tree ); if (!first_level_node) { printf( "no 'node' found in group_tree\n" ); error = GB_export_error( "no 'node' found in group_tree" ); } else { printf( "starting with first toplevel nodes\n" ); // print 1st level nodes (and its subtrees) do { PS_print_paths( first_level_node ); first_level_node = PS_get_next_node( first_level_node ); } while (first_level_node); } return 0; } ./arbsrc_9167/PROBE_SET/ps_bitmap.hxx0000644012664100000130000006430611440742777017256 0ustar arb_buildcoders#ifndef PS_BITMAP_HXX #define PS_BITMAP_HXX #ifndef __MAP__ #include #endif #ifndef PS_BITSET_HXX #include "ps_bitset.hxx" #endif // ############################################################ // # PS_BitMap // ############################################################ class PS_BitMap { protected: PS_BitSet **data; // array of pointers to PS_BitSet bool bias; // preset for bitmap long max_row; // max used row index long capacity; // number of allocated rows (and columns) virtual bool do_reserve( const long _capacity, const bool _init_sets ); PS_BitMap( const PS_BitMap& ); PS_BitMap(); PS_BitMap( const bool _bias, const long _max_row, const long _capacity ) { bias = _bias; max_row = _max_row; capacity = _capacity; } public: virtual long getTrueIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ); virtual long getFalseIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ); virtual long getCountOfTrues(); virtual bool get( const long _row, const long _col ); virtual bool set( const long _row, const long _col, const bool _value ); // triangle_ - functions reverse _row and _col if _row is greater than _col // the resulting map is only triangular bool triangle_get( const long _row, const long _col ); bool triangle_set( const long _row, const long _col, const bool _value ); virtual void invert(); virtual void x_or( const PS_BitMap *_other_map ); virtual void print(); virtual void printGNUplot( const char *_title, char *_buffer, PS_FileBuffer *_file ); virtual bool save( PS_FileBuffer *_file ); virtual bool load( PS_FileBuffer *_file ); bool copy( const PS_BitMap *_other_bitmap ); virtual bool reserve( const long _capacity ); explicit PS_BitMap( const bool _bias, const long _capacity ) : bias(_bias), max_row(0), capacity(_capacity) { data = (PS_BitSet **)malloc(capacity * sizeof(PS_BitSet*)); // printf( "PS_BitMap(%p) data = malloc(%lu) = %p\n", this, capacity*sizeof(PS_BitSet*), data ); for (long i = 0; i < capacity; ++i) { // init requested bitsets data[i] = new PS_BitSet( bias, capacity ); // init field // printf( "PS_BitMap(%p) data[%li] = %p\n", this, i, data[i] ); if (data[i] == 0) { printf( "PS_BitMap( %s,%li ) : error while init. data[%li]\n", bias ? "true" : "false", capacity, i ); exit( 1 ); } } } explicit PS_BitMap( PS_FileBuffer *_file ) : bias(false), max_row(0), capacity(0) { data = 0; load( _file ); } virtual ~PS_BitMap() { for (long i = 0; i < capacity; ++i) { // printf( "~PS_BitMap(%p) delete data[%li] (%p) : ", this, i, data[i] ); if (data[i]) delete data[i]; } // printf( "~PS_BitMap(%p) free( data(%p) (%li) )\n : ", this, data, capacity*sizeof(PS_BitSet*) ); if (data) free( data ); } }; // ############################################################ // # PS_BitMap_Fast // ############################################################ // No checks are made to assure that given row/col indices // point to an allocated byte. Make sure you reserve the needed // space either at creation time or before accessing the bits. // class PS_BitMap_Fast : public PS_BitMap { private: bool copy( const PS_BitSet *_other_bitset ); // declared but not implemented virtual bool do_reserve( const long _capacity, const bool _init_sets ); PS_BitMap_Fast( const PS_BitMap_Fast& ); PS_BitMap_Fast(); public: virtual bool get( const long _row, const long _col ); virtual bool set( const long _row, const long _col, const bool _value ); virtual void setTrue( const long _row, const long _col ); virtual void setFalse( const long _row, const long _col ); virtual bool load( PS_FileBuffer *_file ); bool copy( const PS_BitMap_Fast *_other_bitmap ); virtual bool reserve( const long _capacity ); explicit PS_BitMap_Fast( const bool _bias, const long _capacity ) : PS_BitMap(_bias,0,_capacity) { data = (PS_BitSet **)malloc(capacity * sizeof(PS_BitSet*)); // printf( "PS_BitMap_Fast(%p) data = malloc(%lu) = %p\n", this, capacity*sizeof(PS_BitSet*), data ); for (long i = 0; i < capacity; ++i) { // init requested bitsets data[i] = new PS_BitSet_Fast( bias, capacity ); // init field // printf( "PS_BitMap_Fast(%p) data[%li] = %p\n", this, i, data[i] ); if (data[i] == 0) { printf( "PS_BitMap_Fast( %s,%li ) : error while init. data[%li]\n", bias ? "true" : "false", capacity, i ); exit( 1 ); } } } }; // ############################################################ // # PS_BitMap_Counted // ############################################################ // PS_BitMap_Counted is ALWAYS triangular. // This means that the max column index in a row is the row number. // The resulting bitmap is the lower left half // 012 // 0 . // 1 .. // 2 ... // Therefore the row index must be higher or equal than the column index // when you call set/get-functions, which do not check given row,col. // If you cannot assure this use the triangleSet/Get-functions. // // count_true_per_index counts TRUEs in a row + the TRUEs in the // column of the same index. // Only set() automatically updates count_true_per_index. // class PS_BitMap_Counted : public PS_BitMap { private: long *count_true_per_index; bool copy( const PS_BitSet *_other_bitset ); // declared but not implemented because PS_BitSet has no count_true_per_index array virtual bool do_reserve( const long _capacity, const bool _init_sets ); PS_BitMap_Counted( const PS_BitMap_Counted& ); PS_BitMap_Counted(); public: void recalcCounters(); long getCountFor( const long _index ) { return count_true_per_index[ _index ]; } virtual long getTrueIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ); virtual long getFalseIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ); long getTrueIndicesForRow( const long _row, PS_BitSet::IndexSet &_index_set ); long getFalseIndicesForRow( const long _row, PS_BitSet::IndexSet &_index_set ); virtual long getCountOfTrues(); virtual bool get( const long _row, const long _col ); virtual bool set( const long _row, const long _col, const bool _value ); virtual void setTrue( const long _row, const long _col ); virtual void setFalse( const long _row, const long _col ); virtual void print(); virtual void printGNUplot( const char *_title, char *_buffer, PS_FileBuffer *_file ); virtual bool load( PS_FileBuffer *_file ); virtual bool copy( const PS_BitMap_Counted *_other_bitmap ); virtual bool reserve( const long _capacity ); explicit PS_BitMap_Counted( PS_FileBuffer *_file ) : PS_BitMap(false,0,0) { data = 0; count_true_per_index = 0; load( _file ); } explicit PS_BitMap_Counted( const bool _bias, const long _capacity ) : PS_BitMap(_bias,0,_capacity) { data = (PS_BitSet **)malloc(capacity * sizeof(PS_BitSet*)); // printf( "PS_BitMap_Counted(%p) data = malloc(%lu) = %p\n", this, capacity*sizeof(PS_BitSet*), data ); for (long i = 0; i < capacity; ++i) { // init requested bitsets data[i] = new PS_BitSet_Fast( bias, capacity ); // init field // printf( "PS_BitMap_Counted(%p) data[%li] = %p\n", this, i, data[i] ); if (data[i] == 0) { printf( "PS_BitMap_Counted( %s,%li ) : error while init. data[%li]\n", bias ? "true" : "false", capacity, i ); exit( 1 ); } } // alloc memory for counters count_true_per_index = (long *)malloc( capacity * sizeof(long) ); // printf( "PS_BitMap_Counted(%p) count_true_per_index = malloc(%lu) = %p\n", this, capacity*sizeof(long), count_true_per_index ); // preset memory of counters memset( count_true_per_index, (bias) ? capacity : 0, capacity * sizeof(long) ); } virtual ~PS_BitMap_Counted() { // printf( "~PS_BitMap_Counted(%p) free(count_true_per_index) %p (%li)\n", this, count_true_per_index, capacity*sizeof(long) ); if (count_true_per_index) free( count_true_per_index ); } }; long PS_BitMap::getTrueIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ) { // get trues in the row data[ _index ]->getTrueIndices( _index_set, _index ); // scan column _index in the remaining rows for (long row = _index+1; row <= max_row; ++row) { if (data[ row ]->Get( _index )) _index_set.insert( row ); } return _index_set.size(); } long PS_BitMap::getFalseIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ) { // get falses in the row data[ _index ]->getFalseIndices( _index_set, _index ); // scan column _index in the remaining rows for (long row = _index+1; row <= max_row; ++row) { if (!(data[ row ]->Get( _index ))) _index_set.insert( row ); } return _index_set.size(); } long PS_BitMap::getCountOfTrues() { long count = 0; // sum up trues in the rows for (long row = 0; row <= max_row; ++row) { count += data[ row ]->getCountOfTrues(); } return count; } bool PS_BitMap::set( const long _row, const long _col, const bool _value ) { reserve( _row+1 ); if (_row > max_row) max_row = _row; return data[_row]->Set( _col, _value ); } bool PS_BitMap::get( const long _row, const long _col ) { reserve( _row+1 ); return data[_row]->Get( _col ); } bool PS_BitMap::triangle_set( const long _row, const long _col, const bool _value ) { if (_row > _col) { return set( _col,_row,_value ); } else { return set( _row,_col,_value ); } } bool PS_BitMap::triangle_get( const long _row, const long _col ) { if (_row > _col) { return get( _col,_row ); } else { return get( _row,_col ); } } bool PS_BitMap::copy( const PS_BitMap *_other_bitmap ) { bias = _other_bitmap->bias; if (!do_reserve( _other_bitmap->capacity, false )) return false; for (long i = 0; i < capacity; ++i) { if (!data[i]) data[i] = new PS_BitSet( bias, _other_bitmap->data[i]->capacity ); if (!data[i]->copy( _other_bitmap->data[i] )) return false; } max_row = _other_bitmap->max_row; return true; } bool PS_BitMap::reserve( const long _capacity ) { return do_reserve( _capacity, true ); } bool PS_BitMap::do_reserve( const long _capacity, const bool _init_sets ) { PS_BitSet **new_data; long new_capacity_bytes = _capacity * sizeof(PS_BitSet*); long old_capacity_bytes = capacity * sizeof(PS_BitSet*); if (_capacity <= capacity) return true; // smaller or same size requested ? new_data = (PS_BitSet **)malloc( new_capacity_bytes ); // get new memory for pointer array if (new_data == 0) return false; if (capacity > 0) memcpy( new_data,data,old_capacity_bytes );// copy old pointers if (data) free( data ); // free old memory data = new_data; if (_init_sets) { for (long i = capacity; i < _capacity; ++i) { // init new requested bitsets data[i] = new PS_BitSet( bias,1 ); // init field if (data[i] == 0) return false; // check success } } capacity = _capacity; // store new capacity return true; } void PS_BitMap::invert() { for (long i = 0; i <= max_row; ++i) { data[i]->invert(); } } void PS_BitMap::x_or( const PS_BitMap *_other_map ) { for (long i = 0; i <= max_row; ++i) { data[i]->x_or( _other_map->data[i] ); } } void PS_BitMap::print() { printf( "PS_BitMap : bias(%1i) max_row(%6li) capacity(%6li)\n", bias, max_row, capacity ); for (long i = 0; i < capacity; ++i) { printf( "[%5li] ",i); data[i]->print( true, i ); } } void PS_BitMap::printGNUplot( const char *_title, char *_buffer, PS_FileBuffer *_file ) { // write title long size; size = sprintf( _buffer, "# %s\n#PS_BitMap : bias(%1i) max_row(%li) capacity(%li)\n#col row\n", _title, bias, max_row, capacity ); _file->put( _buffer, size ); // write indices of trues per row PS_BitSet::IndexSet trues; for ( long row = 0; row < capacity; ++row ) { data[ row ]->getTrueIndices( trues ); for ( PS_BitSet::IndexSet::iterator col = trues.begin(); col != trues.end(); ++col ) { size = sprintf( _buffer, "%li %li\n", *col, row ); _file->put( _buffer, size ); } } _file->flush(); } bool PS_BitMap::save( PS_FileBuffer *_file ) { if (_file->isReadonly()) return false; // save max_row _file->put_long( max_row ); // save bias _file->put_char( (bias) ? '1' : '0' ); // save bitsets for (long i = 0; i <= max_row; ++i) { data[i]->save( _file ); } return true; } bool PS_BitMap::load( PS_FileBuffer *_file ) { if (!_file->isReadonly()) return false; // load max_row _file->get_long( max_row ); // load bias bias = (_file->get_char() == '1'); // initialize bitmap // printf( "PS_BitMap::load(%p) max_row (%li) bias(%1i)\n", this, max_row, bias ); if (!do_reserve( max_row+1, false )) return false; for (long i = 0; i <= max_row; ++i) { if (data[i]) { // printf( "PS_BitMap::load(%p) delete data[%li] = %p\n", this, i, data[i] ); delete data[i]; } // printf( "PS_BitMap::load(%p) load data[%li] = ", this,i ); data[i] = new PS_BitSet( _file ); // printf( "%p\n", data[i] ); } return true; } inline bool PS_BitMap_Fast::set( const long _row, const long _col, const bool _value ) { if (_row > max_row) max_row = _row; return data[_row]->Set( _col, _value ); } inline bool PS_BitMap_Fast::get( const long _row, const long _col ) { if (_row > max_row) max_row = _row; return data[_row]->Get( _col ); } inline void PS_BitMap_Fast::setTrue( const long _row, const long _col ) { if (_row > max_row) max_row = _row; data[_row]->setTrue( _col ); } inline void PS_BitMap_Fast::setFalse( const long _row, const long _col ) { if (_row > max_row) max_row = _row; data[_row]->setFalse( _col ); } bool PS_BitMap_Fast::load( PS_FileBuffer *_file ) { if (!_file->isReadonly()) return false; // load max_row _file->get_long( max_row ); // load bias bias = (_file->get_char() == '1'); // initialize bitmap // printf( "PS_BitMap_Fast::load(%p) max_row (%li) bias(%1i)\n", this, max_row, bias ); if (!do_reserve( max_row+1, false )) return false; for (long i = 0; i <= max_row; ++i) { if (data[i]) { // printf( "PS_BitMap_Fast::load(%p) delete data[%li] = %p\n", this, i, data[i] ); delete data[i]; } data[i] = new PS_BitSet_Fast( _file ); // printf( "PS_BitMap_Fast::load(%p) data[%li] = %p\n", this, i, data[i] ); } return true; } bool PS_BitMap_Fast::copy( const PS_BitMap_Fast *_other_bitmap ) { bias = _other_bitmap->bias; if (!do_reserve( _other_bitmap->capacity, false )) return false; for (long i = 0; i < capacity; ++i) { if (!data[i]) data[i] = new PS_BitSet_Fast( bias, _other_bitmap->data[i]->capacity ); if (!data[i]->copy( _other_bitmap->data[i] )) return false; } max_row = _other_bitmap->max_row; return true; } bool PS_BitMap_Fast::reserve( const long _capacity ) { return do_reserve( _capacity, true ); } bool PS_BitMap_Fast::do_reserve( const long _capacity, const bool _init_sets ) { if (_capacity <= capacity) return true; // smaller or same size requested ? PS_BitSet **new_data; long new_capacity_bytes = _capacity * sizeof(PS_BitSet*); long old_capacity_bytes = capacity * sizeof(PS_BitSet*); new_data = (PS_BitSet **)malloc( new_capacity_bytes ); // get new memory for pointer array if (new_data == 0) return false; if (capacity > 0) memcpy( new_data,data,old_capacity_bytes );// copy old pointers if (data) free( data ); // free old memory data = new_data; if (_init_sets) { for (long i = capacity; i < _capacity; ++i) { // init new requested bitsets data[i] = new PS_BitSet_Fast( bias,1 ); // init field if (data[i] == 0) return false; // check success } } capacity = _capacity; // store new capacity return true; } long PS_BitMap_Counted::getTrueIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ) { // get total number of trues unsigned long total_count_trues = count_true_per_index[ _index ]; // get trues in the row data[ _index ]->getTrueIndices( _index_set, _index ); // scan column _index in the remaining rows until all trues are found for (long row = _index+1; ((row <= max_row) && (_index_set.size() < total_count_trues)); ++row) { if (data[ row ]->Get( _index )) _index_set.insert( row ); } return _index_set.size(); } long PS_BitMap_Counted::getFalseIndicesFor( const long _index, PS_BitSet::IndexSet &_index_set ) { // get total number of falses unsigned long total_count_falses = capacity - count_true_per_index[ _index ]; // get falses in the row data[ _index ]->getFalseIndices( _index_set, _index ); // scan column _index in the remaining rows until all falses are found for (long row = _index+1; ((row <= max_row) && (_index_set.size() < total_count_falses)); ++row) { if (!(data[ row ]->Get( _index ))) _index_set.insert( row ); } return _index_set.size(); } long PS_BitMap_Counted::getTrueIndicesForRow( const long _row, PS_BitSet::IndexSet &_index_set ) { // get trues in the row data[ _row ]->getTrueIndices( _index_set, _row ); return _index_set.size(); } long PS_BitMap_Counted::getFalseIndicesForRow( const long _row, PS_BitSet::IndexSet &_index_set ) { // get falses in the row data[ _row ]->getFalseIndices( _index_set, _row ); return _index_set.size(); } long PS_BitMap_Counted::getCountOfTrues() { long count = 0; // sum up trues in the rows for (long row = 0; row <= max_row; ++row) { count += data[ row ]->getCountOfTrues( row ); } return count; } bool PS_BitMap_Counted::set( const long _row, const long _col, const bool _value ) { if (_col > _row) printf( "PS_BitMap_Counted::set( %li,%li,%1i ) not allowed\n", _row, _col, _value ); if (_row > max_row) max_row = _row; bool previous_value = data[_row]->Set( _col, _value ); if (_value && !previous_value) { ++count_true_per_index[ _row ]; ++count_true_per_index[ _col ]; } else if (!_value && previous_value) { --count_true_per_index[ _row ]; --count_true_per_index[ _col ]; } return previous_value; } inline bool PS_BitMap_Counted::get( const long _row, const long _col ) { if (_col > _row) printf( "PS_BitMap_Counted::get( %li,%li ) not allowed\n", _row, _col ); if (_row > max_row) max_row = _row; return data[_row]->Get( _col ); } inline void PS_BitMap_Counted::setTrue( const long _row, const long _col ) { if (_col > _row) printf( "PS_BitMap_Counted::setTrue( %li,%li ) not allowed\n", _row, _col ); if (_row > max_row) max_row = _row; data[_row]->setTrue( _col ); } inline void PS_BitMap_Counted::setFalse( const long _row, const long _col ) { if (_col > _row) printf( "PS_BitMap_Counted::setFalse( %li,%li ) not allowed\n", _row, _col ); if (_row > max_row) max_row = _row; data[_row]->setFalse( _col ); } bool PS_BitMap_Counted::load( PS_FileBuffer *_file ) { if (!_file->isReadonly()) return false; // load max_row _file->get_long( max_row ); // load bias bias = (_file->get_char() == '1'); // initialize bitmap // printf( "PS_BitMap_Counted::load(%p) max_row (%li) bias(%1i)\n", this, max_row, bias ); if (!do_reserve( max_row+1, false )) return false; for (long i = 0; i <= max_row; ++i) { if (data[i]) { // printf( "PS_BitMap_Counted::load(%p) delete data[%li] = %p\n", this, i, data[i] ); delete data[i]; } data[i] = new PS_BitSet_Fast( _file, i ); // printf( "PS_BitMap_Counted::load(%p) data[%li] = %p capacity(%li)\n", this, i, data[i], data[i]->capacity ); } recalcCounters(); return true; } bool PS_BitMap_Counted::copy( const PS_BitMap_Counted *_other_bitmap ) { bias = _other_bitmap->bias; if (!do_reserve( _other_bitmap->capacity, false )) return false; memcpy( count_true_per_index, _other_bitmap->count_true_per_index, (capacity * sizeof(long)) ); for (long i = 0; i < capacity; ++i) { if (!data[i]) data[i] = new PS_BitSet_Fast( bias, _other_bitmap->data[i]->capacity ); if (!data[i]->copy( _other_bitmap->data[i] )) return false; } max_row = _other_bitmap->max_row; return true; } bool PS_BitMap_Counted::reserve( const long _capacity ) { return do_reserve( _capacity, true ); } bool PS_BitMap_Counted::do_reserve( const long _capacity, const bool _init_sets ) { PS_BitSet **new_data; long *new_counts; if (_capacity <= capacity) return true; // smaller or same size requested ? long new_data_bytes = _capacity * sizeof(PS_BitSet*); long old_data_bytes = capacity * sizeof(PS_BitSet*); long new_counts_bytes = _capacity * sizeof(long); long old_counts_bytes = capacity * sizeof(long); // // allocate new memory // new_data = (PS_BitSet **)malloc( new_data_bytes ); new_counts = (long *)malloc( new_counts_bytes ); // printf( "PS_BitMap_Counted::reserve(%p) new_data = malloc(%li) = %p\n", this, new_data_bytes, new_data ); // printf( "PS_BitMap_Counted::reserve(%p) new_counts = malloc(%li) = %p\n", this, new_counts_bytes, new_counts ); // // test is we got the memory we wanted // if (!new_data || !new_counts) { // failed to allocate all memory so give up the parts we got if (new_data) free( new_data ); if (new_counts) free( new_counts ); return false; } // // initialize new data-array // if (capacity > 0) memcpy( new_data,data,old_data_bytes ); // copy old pointers if (data) free( data ); // free old memory data = new_data; // printf( "PS_BitMap_Counted::reserve( %li )\n", _capacity ); if (_init_sets) { for (long i = capacity; i < _capacity; ++i) { // init new requested bitsets data[i] = new PS_BitSet_Fast( bias,i+1 ); // init field // printf( "PS_BitMap_Counted::reserve(%p) data[%li] = %p\n", this, i, data[i] ); if (data[i] == 0) return false; // check success } } // // initialize new counts-arrays // if (capacity > 0) memcpy( new_counts, count_true_per_index, old_counts_bytes ); memset( new_counts+old_counts_bytes, 0, new_counts_bytes-old_counts_bytes ); if (count_true_per_index) free( count_true_per_index ); count_true_per_index = new_counts; capacity = _capacity; // store new capacity return true; } void PS_BitMap_Counted::print() { printf( "PS_BitMap_Counted : bias(%1i) max_row(%6li) capacity(%6li)\n", bias, max_row, capacity ); for (long i = 0; i < capacity; ++i) { printf( "[%5li] %6li ", i, count_true_per_index[i] ); data[i]->print( false ); } } void PS_BitMap_Counted::printGNUplot( const char *_title, char *_buffer, PS_FileBuffer *_file ) { // write title and header of bitmap long size; size = sprintf( _buffer, "# %s\n#PS_BitMap_Counted : bias(%1i) max_row(%li) capacity(%li)\n#col row - index of a true\n", _title, bias, max_row, capacity ); _file->put( _buffer, size ); // write indices of trues per row PS_BitSet::IndexSet trues; for ( long row = 0; row < capacity; ++row ) { data[ row ]->getTrueIndices( trues ); for ( PS_BitSet::IndexSet::iterator col = trues.begin(); col != trues.end(); ++col ) { size = sprintf( _buffer, "%li %li\n", *col, row ); _file->put( _buffer, size ); } } // write dataset seperator and header of counters size = sprintf( _buffer, "\n\n# speciesID count (of trues)\n" ); _file->put( _buffer, size ); // write counters per species map species_per_count; for ( long row = 0; row < capacity; ++row ) { size = sprintf( _buffer, "%li %li\n", row, count_true_per_index[ row ] ); _file->put( _buffer, size ); ++species_per_count[ count_true_per_index[ row ] ]; } // write dataset seperator and header of counters size = sprintf( _buffer, "\n\n# count (of trues) count (of species)\n" ); _file->put( _buffer, size ); for ( map::iterator count = species_per_count.begin(); count != species_per_count.end(); ++count ) { size = sprintf( _buffer, "%li %li\n", count->first, count->second ); _file->put( _buffer, size ); } _file->flush(); } void PS_BitMap_Counted::recalcCounters() { printf( "PS_BitMap_Counted::recalcCounters()\n" ); memset( count_true_per_index, 0, capacity * sizeof(long) ); for (long row = 0; row <= max_row; ++row) { PS_BitSet *row_data = data[row]; if (row_data->getMaxUsedIndex() > row) printf( "row %4li 0..%li ??\n", row, row_data->getMaxUsedIndex() ); for (long col = 0; col <= row_data->getMaxUsedIndex(); ++col) { if (row_data->Get(col)) { ++count_true_per_index[ col ]; if (row != col) ++count_true_per_index[ row ]; // dont count diagonal trues twice } } } } #else #error ps_bitmap.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_bitset.hxx0000644012664100000130000003531611440742777017273 0ustar arb_buildcoders#ifndef PS_BITSET_HXX #define PS_BITSET_HXX #ifndef __SET__ #include #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif #ifndef NDEBUG # define bs_assert(bed) do { if (!(bed)) *(int *)0=0; } while (0) # ifndef DEBUG # error DEBUG is NOT defined - but it has to! # endif #else # ifdef DEBUG # error DEBUG is defined - but it should not! # endif # define bs_assert(bed) #endif /* NDEBUG */ // ############################################################ // # PS_BitSet // ############################################################ class PS_BitSet { protected: unsigned char *data; bool bias; // preset value for newly allocated memory long max_index; // max. used index PS_BitSet( const PS_BitSet& ); PS_BitSet(); PS_BitSet( const bool _bias, const long _max_index, const long _capacity ) { bias = _bias; max_index = _max_index; capacity = _capacity; } public: long capacity; // number of allocated bits typedef set IndexSet; virtual long getTrueIndices( IndexSet &_index_set, const long _fill_index ); virtual long getFalseIndices( IndexSet &_index_set, const long _fill_index ); virtual long getCountOfTrues( const long _fill_index = -1 ); long getMaxUsedIndex() { return max_index; } virtual bool Get( const long _index ); virtual bool Set( const long _index, const bool _value ); virtual void setTrue( const long _index ); virtual void setFalse( const long _index ); virtual void invert(); virtual void x_or( const PS_BitSet *_other_set ); virtual void print( const bool _header, const long _fill_index ); virtual bool save( PS_FileBuffer *_file ); virtual bool load( PS_FileBuffer *_file, const long _fill_index ); virtual bool copy( const PS_BitSet *_other_bitset ); virtual bool reserve( const long _capacity ); explicit PS_BitSet( const bool _bias, const long _capacity ) : bias(_bias), max_index(-1), capacity(0) { data = 0; reserve( _capacity ); } explicit PS_BitSet( PS_FileBuffer *_file, const long _fill_index = -1 ) : bias(false), max_index(-1), capacity(0) { data = 0; load( _file, _fill_index ); } virtual ~PS_BitSet() { // if (data) printf( "~PS_BitSet(%p) free(%p(%lu))\n", this, data, capacity/8 ); if (data) free( data ); } }; // ############################################################ // # PS_BitSet_Fast // ############################################################ class PS_BitSet_Fast : public PS_BitSet { private: PS_BitSet_Fast( const PS_BitSet_Fast& ); PS_BitSet_Fast(); public: virtual bool get( const long _index ); virtual bool set( const long _index, const bool _value ); virtual void setTrue( const long _index ); virtual void setFalse( const long _index ); virtual bool reserve( const long _capacity ); explicit PS_BitSet_Fast( PS_FileBuffer *_file, const long _fill_index = -1 ) : PS_BitSet(false,-1,0) { //printf( "PS_BitSet_Fast(%p)\n\t", this ); data = 0; load( _file, _fill_index ); //printf( "\tbias(%1i) max_index(%li) capacity(%li)\n", bias, max_index, capacity ); } explicit PS_BitSet_Fast( bool _bias, long _capacity ) : PS_BitSet( _bias,_capacity ) { // we just altered member functions so we dont do anything here // but call correct base class constructor to prevent // the call of PS_BitSet() without parameters //printf( "PS_BitSet_Fast(%p) ", this ); } // virtual ~PS_BitSet_Fast() { // printf( "~PS_BitSet_Fast(%p) ", this ); // } }; long PS_BitSet::getFalseIndices( PS_BitSet::IndexSet &_index_set, const long _fill_index = -1 ) { _index_set.clear(); // get indices of falses from bitset up to max_index long index = 0; long byte_index = 0; while (true) { unsigned char byte = data[ byte_index++ ]; // get a data byte if (!(byte & 1)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 2)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 4)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 8)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 16)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 32)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 64)) _index_set.insert( index ); if (index++ >= max_index) break; if (!(byte & 128)) _index_set.insert( index ); if (index++ >= max_index) break; } // append indices [max_index+1 .. _fill_index] if bias is set to false if (!bias) { for (; (index <= _fill_index); ++index) { _index_set.insert( index ); } } return _index_set.size(); } long PS_BitSet::getTrueIndices( PS_BitSet::IndexSet &_index_set, const long _fill_index = -1 ) { _index_set.clear(); // get indices of trues from bitset up to max_index long index = 0; long byte_index = 0; while (true) { unsigned char byte = data[ byte_index++ ]; // get a data byte if (byte & 1) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 2) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 4) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 8) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 16) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 32) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 64) _index_set.insert( index ); if (index++ >= max_index) break; if (byte & 128) _index_set.insert( index ); if (index++ >= max_index) break; } // append indices [max_index+1 .. _max_index] if bias is set to true if (bias) { for (; (index <= _fill_index); ++index) { _index_set.insert( index ); } } return _index_set.size(); } long PS_BitSet::getCountOfTrues( const long _fill_index) { long count = 0; // get indices of trues from bitset up to max_index long index = 0; long byte_index = 0; while (true) { unsigned char byte = data[ byte_index++ ]; // get a data byte if (byte & 1) ++count; if (index++ >= max_index) break; if (byte & 2) ++count; if (index++ >= max_index) break; if (byte & 4) ++count; if (index++ >= max_index) break; if (byte & 8) ++count; if (index++ >= max_index) break; if (byte & 16) ++count; if (index++ >= max_index) break; if (byte & 32) ++count; if (index++ >= max_index) break; if (byte & 64) ++count; if (index++ >= max_index) break; if (byte & 128) ++count; if (index++ >= max_index) break; } // append indices [max_index+1 .. _max_index] if bias is set to true if (bias && (_fill_index > max_index)) { count += _fill_index-max_index +1; } return count; } bool PS_BitSet::Set( const long _index, const bool _value ) { bs_assert( _index >= 0 ); reserve( _index ); // unsigned char byte = data[_index / 8]; // unsigned char offset = _index % 8; // unsigned char mask = 1 << offset; // if (_value == true) { // byte = byte | mask; // } else { // byte = byte & ~mask; // } // data[_index / 8] = byte; bool previous_value = (((data[ _index/8 ] >> (_index % 8)) & 1) == 1); if (_value) { data[ _index/8 ] |= 1 << (_index % 8); } else { data[ _index/8 ] &= ~(1 << (_index % 8)); } if (_index > max_index) max_index = _index; return previous_value; } void PS_BitSet::setTrue( const long _index ) { bs_assert( _index >= 0 ); reserve( _index ); // unsigned char byte = data[_index / 8]; // unsigned char offset = _index % 8; // unsigned char mask = 1 << offset; // if (_value == true) { // byte = byte | mask; // } else { // byte = byte & ~mask; // } // data[_index / 8] = byte; data[ _index/8 ] &= 1 << (_index % 8); if (_index > max_index) max_index = _index; } void PS_BitSet::setFalse( const long _index ) { bs_assert( _index >= 0 ); reserve( _index ); // unsigned char byte = data[_index / 8]; // unsigned char offset = _index % 8; // unsigned char mask = 1 << offset; // if (_value == true) { // byte = byte | mask; // } else { // byte = byte & ~mask; // } // data[_index / 8] = byte; data[ _index/8 ] &= ~(1 << (_index % 8)); if (_index > max_index) max_index = _index; } bool PS_BitSet::Get( const long _index ) { bs_assert( _index >= 0 ); reserve( _index ); // unsigned char byte = data[_index / 8]; // unsigned char offset = _index % 8; // byte = (byte >> offset); // return (byte & 1 == 1); return (((data[ _index/8 ] >> (_index % 8)) & 1) == 1); } bool PS_BitSet::copy( const PS_BitSet *_other_bitset ) { bias = _other_bitset->bias; if (!reserve( _other_bitset->capacity )) return false; memcpy( data, _other_bitset->data, (capacity>>3) ); max_index = _other_bitset->max_index; return true; } bool PS_BitSet::reserve( const long _capacity ) { unsigned char *new_data; long new_capacity_bytes = (_capacity/8)+1; long old_capacity_bytes = ( capacity/8)+1; if (capacity > 0) { if (new_capacity_bytes <= old_capacity_bytes) return true; // smaller or same size requested ? } new_capacity_bytes = ((new_capacity_bytes / 32)+1)*32; // adjust requested size to bigger chunks new_data = (unsigned char *)malloc( new_capacity_bytes ); // get new memory //printf( "PS_BitSet::reserve(%p) new_data = malloc(%li) = %p\n", this, new_capacity_bytes, new_data ); if (new_data == 0) return false; memset( new_data,bias ? 0xFF : 0,new_capacity_bytes ); // set memory to bias value if (capacity > 0) memcpy( new_data,data,old_capacity_bytes ); // copy old values if (data) free( data ); // free old memory data = new_data; // store new pointer capacity = new_capacity_bytes*8; // store new capacity return true; } void PS_BitSet::invert() { for (long i = 0; i < capacity/8; ++i) { data[i] = ~data[i]; } } void PS_BitSet::x_or( const PS_BitSet *_other_set ) { for (long i = 0; i < capacity/8; ++i) { data[i] ^= _other_set->data[i]; } } void PS_BitSet::print( const bool _header = true, const long _fill_index = -1 ) { if (_header) printf( "PS_BitSet: bias(%1i) max_index(%6li) capacity(%6li) ", bias, max_index, capacity ); for (long i = 0; i <= max_index; ++i) { printf( Get(i) ? "+" : "_" ); } for (long i = max_index+1; i <= _fill_index; ++i) { printf( "." ); } printf( " %li\n", max_index ); } bool PS_BitSet::save( PS_FileBuffer *_file ) { if (_file->isReadonly()) return false; // save max_index _file->put_long( max_index ); // save bias _file->put_char( (bias) ? '1' : '0' ); // save bitset long bytes = (max_index / 8)+1; long i = 0; while ( (bytes-i) >= PS_FileBuffer::BUFFER_SIZE ) { _file->put( &(data[i]), PS_FileBuffer::BUFFER_SIZE ); i += PS_FileBuffer::BUFFER_SIZE; } _file->put( &(data[i]), (bytes-i) ); return true; } bool PS_BitSet::load( PS_FileBuffer *_file, const long _fill_index = -1 ) { // load max_index _file->get_long( max_index ); // load bias bias = (_file->get_char() == '1'); // initialize bitset capacity = 0; if (!reserve( (max_index > _fill_index) ? max_index : _fill_index )) return false; // load bitset long bytes = (max_index / 8)+1; long i = 0; while ( (bytes-i) >= PS_FileBuffer::BUFFER_SIZE ) { _file->get( &(data[i]), PS_FileBuffer::BUFFER_SIZE ); i += PS_FileBuffer::BUFFER_SIZE; } _file->get( &(data[i]), (bytes-i) ); return true; } bool PS_BitSet_Fast::get( const long _index ) { if (_index >= capacity) printf( "PS_BitSet_Fast::get( %li ) exceeds capacity %li\n", _index, capacity ); if (_index > max_index) max_index = _index; return (((data[ _index/8 ] >> (_index % 8)) & 1) == 1); } bool PS_BitSet_Fast::set( const long _index, const bool _value ) { if (_index >= capacity) printf( "PS_BitSet_Fast::set( %li,%1i ) exceeds capacity %li\n", _index, _value, capacity ); bool previous_value = (((data[ _index/8 ] >> (_index % 8)) & 1) == 1); if (_value) { data[ _index/8 ] |= 1 << (_index % 8); } else { data[ _index/8 ] &= ~(1 << (_index % 8)); } if (_index > max_index) max_index = _index; return previous_value; } void PS_BitSet_Fast::setTrue( const long _index ) { if (_index >= capacity) printf( "PS_BitSet_Fast::setTrue( %li ) exceeds capacity %li\n", _index, capacity ); data[ _index/8 ] |= 1 << (_index % 8); if (_index > max_index) max_index = _index; } void PS_BitSet_Fast::setFalse( const long _index ) { if (_index >= capacity) printf( "PS_BitSet_Fast::setFalse( %li ) exceeds capacity %li\n", _index, capacity ); data[ _index/8 ] &= ~(1 << (_index % 8)); if (_index > max_index) max_index = _index; } // as i assume that a user of the _FAST variant knows how much // data will be stored in the set we dont adjust the given // capacity to bigger chunks as PS_BitSet::reserve does bool PS_BitSet_Fast::reserve( const long _capacity ) { unsigned char *new_data; long new_capacity_bytes = (_capacity/8)+1; long old_capacity_bytes = ( capacity/8)+1; if (capacity > 0) { if (new_capacity_bytes <= old_capacity_bytes) return true; // smaller or same size requested ? } new_data = (unsigned char *)malloc( new_capacity_bytes ); // get new memory //printf( "PS_BitSet::reserve(%p) new_data = malloc(%li) = %p\n", this, new_capacity_bytes, new_data ); if (new_data == 0) return false; memset( new_data,bias ? 0xFF : 0,new_capacity_bytes ); // set memory to bias value if (capacity > 0) memcpy( new_data,data,old_capacity_bytes ); // copy old values if (data) free( data ); // free old memory data = new_data; // store new pointer capacity = new_capacity_bytes*8; // store new capacity return true; } #else #error ps_bitset.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_candidate.hxx0000644012664100000130000004721211440742777017713 0ustar arb_buildcoders#ifndef PS_CANDIDATE_HXX #define PS_CANDIDATE_HXX #ifndef PS_DEFS_HXX #include "ps_defs.hxx" #endif #ifndef PS_BITMAP_HXX #include "ps_bitmap.hxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif #ifndef _CPP_CLIMITS #include #endif using namespace std; class PS_Candidate; typedef PS_Candidate* PS_CandidatePtr; typedef SmartPtr PS_CandidateSPtr; struct cmp_candidates { bool operator()(const PS_CandidateSPtr &c1, const PS_CandidateSPtr &c2) const { return &(*c1) < &(*c2); } }; typedef set PS_CandidateSet; typedef PS_CandidateSet::iterator PS_CandidateSetIter; typedef PS_CandidateSet::const_iterator PS_CandidateSetCIter; typedef PS_CandidateSet::reverse_iterator PS_CandidateSetRIter; typedef PS_CandidateSet::const_reverse_iterator PS_CandidateSetCRIter; typedef map PS_CandidateByGainMap; typedef PS_CandidateByGainMap::iterator PS_CandidateByGainMapIter; typedef PS_CandidateByGainMap::const_iterator PS_CandidateByGainMapCIter; typedef PS_CandidateByGainMap::reverse_iterator PS_CandidateByGainMapRIter; typedef PS_CandidateByGainMap::const_reverse_iterator PS_CandidateByGainMapCRIter; // typedef map PS_CandidateByFillingMap; // typedef PS_CandidateByFillingMap::iterator PS_CandidateByFillingMapIter; // typedef PS_CandidateByFillingMap::const_iterator PS_CandidateByFillingMapCIter; // typedef PS_CandidateByFillingMap::reverse_iterator PS_CandidateByFillingMapRIter; // typedef PS_CandidateByFillingMap::const_reverse_iterator PS_CandidateByFillingMapCRIter; typedef pair ID2IndexSetPair; typedef set ID2IndexSetSet; typedef ID2IndexSetSet::iterator ID2IndexSetSetIter; typedef ID2IndexSetSet::const_iterator ID2IndexSetSetCIter; typedef ID2IndexSetSet::reverse_iterator ID2IndexSetSetRIter; typedef ID2IndexSetSet::const_reverse_iterator ID2IndexSetSetCRIter; class PS_Candidate { private: PS_Candidate(); PS_Candidate( const PS_Candidate& ); explicit PS_Candidate( float _distance, unsigned long _gain, const PS_NodePtr _ps_node, IDSet &_path, PS_CandidatePtr _parent ) { filling_level = 0.0; depth = ULONG_MAX; distance = _distance; gain = _gain; passes_left = MAX_PASSES; parent = _parent; //source_set = 0; //target_set = 0; false_IDs = 0; one_false_IDs = 0; one_false_IDs_matches = 0; map = 0; node = _ps_node; path = _path; } public: static const unsigned int MAX_PASSES = 3; float filling_level; unsigned long depth; float distance; unsigned long gain; unsigned int passes_left; PS_Candidate *parent; //IDSet *source_set; //IDSet *target_set; //ID2IndexSetSet *false_IDs; unsigned long false_IDs; ID2IDSet *one_false_IDs; unsigned long one_false_IDs_matches; PS_BitMap_Counted *map; IDSet path; PS_NodePtr node; PS_CandidateByGainMap children; unsigned long initFalseIDs( const SpeciesID _min_id, const SpeciesID _max_id, SpeciesID &_min_sets_id, SpeciesID &_max_sets_id ) { // if i already have the set return its size if (one_false_IDs) { // for (ID2IndexSetSetCIter i = false_IDs->begin(); // i != false_IDs->end(); // ++i ) { // if (i->first < _min_sets_id) _min_sets_id = i->first; // if (i->first > _max_sets_id) _max_sets_id = i->first; // if (*i->second.begin() < _min_sets_id) _min_sets_id = *i->second.begin(); // if (*i->second.rbegin() > _max_sets_id) _max_sets_id = *i->second.rbegin(); // countFalses += i->second.size(); // //printf( "\n[%i] (%i)", i->first, i->second.size() ); // } return one_false_IDs->size(); } else { one_false_IDs = new ID2IDSet(); false_IDs = 0; //false_IDs = new ID2IndexSetSet(); PS_BitSet::IndexSet falseIndices; // temp. set to hold IDs of falses per ID // iterate over _min_id .. _max_id range in map for ( SpeciesID id1 = _min_id; id1 <= _max_id; ++id1) { if (map->getCountFor( id1 ) == _max_id+1) continue; // skip ID if its already filled if (id1 < _min_sets_id) _min_sets_id = id1; if (id1 > _max_sets_id) _max_sets_id = id1; map->getFalseIndicesFor( id1, falseIndices ); while ((*(falseIndices.begin()) < id1) && !falseIndices.empty()) falseIndices.erase( *falseIndices.begin() ); if (falseIndices.empty()) continue; if (*falseIndices.begin() < _min_sets_id) _min_sets_id = *falseIndices.begin(); if (*falseIndices.rbegin() > _max_sets_id) _max_sets_id = *falseIndices.rbegin(); // store false_IDs += falseIndices.size(); if (falseIndices.size() == 1) { one_false_IDs->insert( ID2IDPair(id1,*falseIndices.begin()) ); } //false_IDs->insert( ID2IndexSetPair( id1,falseIndices ) ); // print // printf( "\n[%i] (%i) ", id1, falseIndices.size() ); // for ( PS_BitSet::IndexSet::const_iterator i = falseIndices.begin(); // i != falseIndices.end(); // ++i ) { // printf( " %li", *i ); // } } } return one_false_IDs->size(); } unsigned long matchPathOnOneFalseIDs( IDSet &_path ) { unsigned long matches = 0; IDSetCIter path_end = _path.end(); for ( ID2IDSetCIter p = one_false_IDs->begin(); p != one_false_IDs->end(); ++p ) { if (_path.find( p->first ) == path_end) { if (_path.find( p->second ) != path_end) ++matches; } else { if (_path.find( p->second ) == path_end) ++matches; } } return matches; } void decreasePasses() { --passes_left; if (passes_left == 0) { //if (source_set) { delete source_set; source_set = 0; } //if (target_set) { delete target_set; target_set = 0; } //if (false_IDs) { delete false_IDs; false_IDs = 0; } //if (one_false_IDs) { delete one_false_IDs; one_false_IDs = 0; } } } void getParentMap() { if (!parent) return; map = parent->map; // grab parents version of the map parent->map = 0; // unbind parent from map } bool hasChild( PS_NodePtr _ps_node ) const { PS_CandidateByGainMapCIter found = children.end(); for ( PS_CandidateByGainMapCIter child = children.begin(); (child != children.end()) && (found == children.end()); ++child ) { if (child->second->node == _ps_node) found = child; } return (found != children.end()); } bool alreadyUsedNode( const PS_NodePtr _ps_node ) const { if (node.Null()) return false; if (_ps_node == node) { return true; } else { return parent->alreadyUsedNode( _ps_node ); } } int addChild( unsigned long _distance, unsigned long _gain, const PS_NodePtr _node, IDSet &_path ) { PS_CandidateByGainMapIter found = children.find( _gain ); if (found == children.end()) { PS_CandidateSPtr new_child( new PS_Candidate(_distance, _gain, _node, _path, this) ); children[ _gain ] = new_child; return 2; } else if (_distance < found->second->distance) { children.erase( _gain ); PS_CandidateSPtr new_child( new PS_Candidate(_distance, _gain, _node, _path, this) ); children[ _gain ] = new_child; return 1; } return 0; } bool updateBestChild( const unsigned long _gain, const unsigned long _one_false_IDs_matches, const float _filling_level, const PS_NodePtr _node, IDSet &_path ) { if (children.size() == 0) { // no child yet PS_CandidateSPtr new_child( new PS_Candidate(0,_gain,_node,_path,this) ); new_child->depth = depth+1; new_child->filling_level = _filling_level; if (_filling_level >= 100.0) new_child->passes_left = 0; children[ 0 ] = new_child; one_false_IDs_matches = _one_false_IDs_matches; return true; } // return false if new child matches less 'must matches' than best child so far if (_one_false_IDs_matches < one_false_IDs_matches ) return false; // return false if new child matches same 'must matches' but has less total gain if ((_one_false_IDs_matches == one_false_IDs_matches) && (_gain <= children[ 0 ]->gain)) return false; children.clear(); PS_CandidateSPtr new_child( new PS_Candidate(0,_gain,_node,_path,this) ); new_child->depth = depth+1; new_child->filling_level = _filling_level; if (_filling_level >= 100.0) new_child->passes_left = 0; children[ 0 ] = new_child; one_false_IDs_matches = _one_false_IDs_matches; return true; } void reduceChildren( const float _filling_level ) { if (children.size() == 0) return; // prepare unsigned long best_gain = children.rbegin()->first; unsigned long worst_gain = children.begin()->first; unsigned long middle_gain = (best_gain + worst_gain) >> 1; PS_CandidateByGainMapIter middle_child = children.find( middle_gain ); if (middle_child == children.end()) { middle_child = children.lower_bound( middle_gain ); middle_gain = middle_child->first; } PS_CandidateByGainMapIter to_delete = children.end(); // delete unwanted childs depending on filling level if (_filling_level < 50.0) { if (children.size() <= 3) return; for ( PS_CandidateByGainMapIter c = children.begin(); c != children.end(); ++c ) { if (to_delete != children.end()) { children.erase( to_delete ); to_delete = children.end(); } if ((c->first != worst_gain) && (c->first != middle_gain) && (c->first != best_gain)) { to_delete = c; } } } else if (_filling_level < 75.0) { if (children.size() <= 2) return; for ( PS_CandidateByGainMapIter c = children.begin(); c != children.end(); ++c ) { if (to_delete != children.end()) { children.erase( to_delete ); to_delete = children.end(); } if ((c->first != middle_gain) && (c->first != best_gain)) { to_delete = c; } } } else { if (children.size() <= 1) return; for ( PS_CandidateByGainMapIter c = children.begin(); c != children.end(); ++c ) { if (to_delete != children.end()) { children.erase( to_delete ); to_delete = children.end(); } if (c->first != best_gain) { to_delete = c; } } } if (to_delete != children.end()) { children.erase( to_delete ); to_delete = children.end(); } } void printProbes( const SpeciesID _species_count, const unsigned long _depth = 0, const bool _descend = true ) const { for (unsigned long i = 0; i < _depth; ++i) { printf( "| " ); } printf( "\n" ); if (node.Null()) { for (unsigned long i = 0; i < _depth; ++i) { printf( "| " ); } printf( "[%p] depth (%lu) no node\n", this, _depth ); } else if (node->countProbes() == 0) { for (unsigned long i = 0; i < _depth; ++i) { printf( "| " ); } printf( "[%p] depth (%lu) node (%p) no probes\n", this, _depth, &(*node) ); } else { for ( PS_ProbeSetCIter probe = node->getProbesBegin(); probe != node->getProbesEnd(); ++probe ) { for (unsigned long i = 0; i < _depth; ++i) { printf( "| " ); } printf( "[%p] depth (%lu) node (%p) matches (%zu) %u %u\n", this, _depth, &(*node), ((*probe)->quality > 0) ? path.size() : _species_count - path.size(), (*probe)->length, (*probe)->GC_content ); } } fflush( stdout ); if ( _descend) { for ( PS_CandidateByGainMapCRIter child = children.rbegin(); child != children.rend(); ++child ) { child->second->printProbes( _species_count, _depth+1 ); } } } void print ( const unsigned long _depth = 0, const bool _print_one_false_IDs = false, const bool _descend = true ) const { for (unsigned long i = 0; i < _depth; ++i) { printf( "| " ); } printf( "[%p] passes left (%u) filling level (%.5f) distance (%6.2f) gain (%6lu) depth (%3lu) path length (%4zu) ", this, passes_left, filling_level, distance, gain, depth, path.size() ); if (node.Null()) { printf( "node (undefined) children (%2zu) ", children.size() ); } else { printf( "node (%p) children (%2zu) ", &(*node), children.size() ); } // unsigned long count = 0; // for ( ID2IndexSetSetCIter i = false_IDs->begin(); // i != false_IDs->end(); // ++i ) { // count += i->second.size(); // } printf( "(%4lu %4zu)/%lu", one_false_IDs_matches, (one_false_IDs) ? one_false_IDs->size() : 0, false_IDs ); if (_print_one_false_IDs) { printf( "\n" ); for (unsigned long i = 0; i < _depth; ++i) { printf( "| " ); } printf( " one_false_IDs : " ); if (one_false_IDs) { for ( ID2IDSetCIter p = one_false_IDs->begin(); p != one_false_IDs->end(); ++p ) { printf( "(%i %i) ", p->first, p->second ); } } else { printf( "none" ); } } printf( "\n" ); fflush( stdout ); if (_descend) { for ( PS_CandidateByGainMapCRIter child = children.rbegin(); child != children.rend(); ++child ) { child->second->print(_depth+1); } } } void save( PS_FileBuffer *_file, const unsigned long _bits_in_map ) { unsigned long count; // gain _file->put_ulong( gain ); // passes_left _file->put_uint( passes_left ); // false_IDs _file->put_ulong( false_IDs ); // one_false_IDs if (one_false_IDs) { count = one_false_IDs->size(); _file->put_ulong( count ); for ( ID2IDSetCIter p = one_false_IDs->begin(); p != one_false_IDs->end(); ++p ) { _file->put_int( p->first ); _file->put_int( p->second ); } } else { _file->put_ulong( 0 ); } // one_false_IDs_matches _file->put_ulong( one_false_IDs_matches ); // path count = path.size(); _file->put_ulong( count ); for ( IDSetCIter id = path.begin(); id != path.end(); ++id ) { _file->put_int( *id ); } // children count = children.size(); _file->put_ulong( count ); for ( PS_CandidateByGainMapIter child = children.begin(); child != children.end(); ++child ) { child->second->save( _file, _bits_in_map ); } } void load( PS_FileBuffer *_file, const unsigned long _bits_in_map, const PS_NodePtr _root_node ) { unsigned long count; // gain _file->get_ulong( gain ); // passes_left _file->get_uint( passes_left ); // false_IDs & filling_level _file->get_ulong( false_IDs ); filling_level = (float)(_bits_in_map - false_IDs) / _bits_in_map * 100.0; // one_false_IDs SpeciesID id1; SpeciesID id2; _file->get_ulong( count ); one_false_IDs = (count) ? new ID2IDSet() : 0; for ( ; count > 0; --count ) { _file->get_int( id1 ); _file->get_int( id2 ); one_false_IDs->insert( ID2IDPair( id1,id2 ) ); } // one_false_IDs_matches _file->get_ulong( one_false_IDs_matches ); // path & node _file->get_ulong( count ); if (count) node = _root_node; for ( ; count > 0; --count ) { _file->get_int( id1 ); path.insert( id1 ); node = node->getChild( id1 ).second; } // children _file->get_ulong( count ); for ( ; count > 0; --count ) { PS_CandidateSPtr new_child( new PS_Candidate( 0.0 ) ); new_child->depth = depth+1; new_child->parent = this; new_child->load( _file, _bits_in_map, _root_node ); children[ new_child->gain ] = new_child; } } explicit PS_Candidate( float _distance ) { filling_level = 0.0; depth = 0; distance = _distance; gain = 0; passes_left = 0; parent = 0; //source_set = 0; //target_set = 0; false_IDs = 0; one_false_IDs = 0; one_false_IDs_matches = 0; map = 0; node.SetNull(); } ~PS_Candidate() { if (map) delete map; if (one_false_IDs) delete one_false_IDs; //if (false_IDs) delete false_IDs; //if (source_set) delete source_set; //if (target_set) delete target_set; if (path.size() > 0) path.clear(); if (children.size() > 0) children.clear(); } }; #else #error ps_candidate.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_convert_db.cxx0000644012664100000130000002653711440742777020126 0ustar arb_buildcoders#include #include #include #include "ps_tools.hxx" #include "ps_database.hxx" #include "ps_pg_tree_functions.cxx" // GLOBALS PS_NodePtr __ROOT; int __PROBE_LENGTH; SpeciesID __MIN_ID; SpeciesID __MAX_ID; void PS_detect_probe_length( GBDATA *_ARB_node ) { // recursively walk through database to first probe and get its length __PROBE_LENGTH = -1; // search for a probe while (__PROBE_LENGTH < 0) { GBDATA *ARB_group = GB_entry(_ARB_node, "group"); if (ARB_group) { // ps_node has probes GBDATA *probe = PG_get_first_probe( ARB_group ); __PROBE_LENGTH = strlen(PG_read_probe(probe)); } else { // ps_node has no probes .. check its children GBDATA *ARB_child = PS_get_first_node( _ARB_node ); while (ARB_child && (__PROBE_LENGTH < 0)) { PS_detect_probe_length( ARB_child ); ARB_child = PS_get_next_node( ARB_child ); } } } } PS_NodePtr PS_assert_inverse_path( const int _max_depth, const int _caller_ID, IDVector *_path ) { // walk down the 'inverse path' creating empty nodes as necessary PS_NodePtr current_node = __ROOT; SpeciesID current_ID; // handle given path //printf( " %i : PS_assert_inverse_path (%i) [ given path :", _caller_ID, _path->size() ); int c = 0; for (IDVectorCIter i = _path->begin(); i != _path->end(); ++i,++c) { current_ID = *i; current_node = current_node->assertChild( current_ID ); //if ((c % 20) == 0) printf( "\n" ); //printf( " %3i",current_ID ); } //printf( "\nimplicit path :" ); // handle implicit path c = 0; for (current_ID = _caller_ID+1; current_ID <= _max_depth; ++current_ID,++c) { current_node = current_node->assertChild( current_ID ); //if ((c % 20) == 0) printf( "\n" ); //printf( " %3i",current_ID ); } //printf( " ] -> (%p,%i)\n", &(*current_node), current_node->getNum() ); return current_node; } PS_NodePtr PS_assert_path( const int _caller_ID, IDVector *_path ) { // walk down the 'path' creating empty nodes as necessary PS_NodePtr current_node = __ROOT; SpeciesID next_path_ID; // handle given path //printf( " %i : PS_assert_path (%i) [ given path :", _caller_ID, _path->size() ); int c = 0; IDVectorCIter i = _path->begin(); next_path_ID = (i == _path->end()) ? -1 : *i; for (SpeciesID current_ID = __MIN_ID; current_ID <= _caller_ID; ++current_ID,++c) { //if ((c % 20) == 0) printf( "\n" ); if (current_ID != next_path_ID) { //printf( " %3i",*i ); current_node = current_node->assertChild( current_ID ); } else { ++i; next_path_ID = (i == _path->end()) ? -1 : *i; } } //printf( " ] -> (%p,%i)\n", &(*current_node), current_node->getNum() ); return current_node; } void PS_extract_probe_data( GBDATA *_ARB_node, // position in ARB database int _max_depth, // count of species in ARB database int _depth, // current depth in tree const int _parent_ID, // SpeciesID of parent node IDVector *_inverse_path ) { // list with IDs of the 'inverse path' // recursively walk through ARB-database and extract probe-data to own tree format // // * Insertion of nodes takes place after a branch is completed (that is // when ive reached a leaf in the ARB-database and im going 'back up' // out of the recursion). // // * Branches below _max_depth/2 will be moved up top by inserting nodes with // 'inverse' probes in the 'inverse' branch, therefore the _inverse_path // list is maintained with the SpeciesIDs of the 'inverse path'. // - SpeciesIDs between _parent_ID and current ID are 'missing' in the path // and are appended to the _inverse_path list // - SpeciesIDs greater than the current ID are implicit in the // 'inverse path' list and therefore not stored // // get SpeciesID // GBDATA *data = GB_entry(_ARB_node, "num"); const char *buffer = GB_read_char_pntr( data ); SpeciesID id = atoi( buffer ); // // get probe(s) // PS_ProbeSetPtr probes = 0; GBDATA *ARB_group = GB_entry(_ARB_node, "group"); // access probe-group if (ARB_group) { data = PG_get_first_probe( ARB_group ); // get first probe if exists if (data) probes = new PS_ProbeSet; // new probe set if probes exist while (data) { buffer = PG_read_probe( data ); // get probe string PS_ProbePtr new_probe(new PS_Probe); // make new probe new_probe->length = __PROBE_LENGTH; // set probe length new_probe->quality = 100; // set probe quality new_probe->GC_content = 0; // eval probe for GC-content for (int i=0; i < __PROBE_LENGTH; ++i) { if ((buffer[i] == 'C') || (buffer[i] == 'G')) ++(new_probe->GC_content); } probes->insert( new_probe ); // append probe to probe set data = PG_get_next_probe( data ); // get next probe } } // // enlarge inverse path // //printf( "%i %i %i : enlarge path (%i) [ ", _depth, _parent_ID, id, _inverse_path->size() ); for (int i=_parent_ID+1; ((i < id) && (i >= 0)); ++i) { //printf( "%i ",i ); _inverse_path->push_back(i); } //printf( "] (%i)\n", _inverse_path->size() ); // // insertion if ARB_node had probes // if (probes) { if (_depth <= (_max_depth >> 1)) { // // insert if 'above' half depth // PS_NodePtr current_node = PS_assert_path( id, _inverse_path ); current_node->addProbes( probes->begin(), probes->end() ); } else { // // insert if 'below' half depth // PS_NodePtr current_node = PS_assert_inverse_path( _max_depth, id, _inverse_path ); current_node->addProbesInverted( probes->begin(), probes->end() ); } } // // child(ren) // //printf( "%i %i %i : children\n", _depth, _parent_ID, id ); GBDATA *ARB_child = PS_get_first_node( _ARB_node ); // get first child if exists while (ARB_child) { PS_extract_probe_data( ARB_child, _max_depth, _depth+1, id, _inverse_path ); ARB_child = PS_get_next_node( ARB_child ); } // // shrink inverse path // //printf( "%i %i %i : shrink path (%i) [ ", _depth, _parent_ID, id, _inverse_path->size() ); while ((_inverse_path->back() > _parent_ID) && (!_inverse_path->empty())) { //printf( "%i ",_inverse_path->back() ); _inverse_path->pop_back(); } //printf( "] (%i)\n", _inverse_path->size() ); } int main( int _argc, char *_argv[] ) { GBDATA *ARB_main = 0; GB_ERROR error = 0; // open probe-group-database if (_argc < 2) { printf( "Missing arguments\n Usage %s \n", _argv[0] ); printf( "output database will be named like input database but with the suffix '.wf' instead of '.arb'\n" ); exit( 1 ); } const char *DB_name = _argv[ 1 ]; // // open and check ARB database // struct tms before; times( &before ); printf( "Opening probe-group-database '%s'..\n ", DB_name ); ARB_main = GB_open( DB_name, "rwcN" ); if (!ARB_main) { error = GB_await_error(); GB_warning(error); exit(1); } printf( "..loaded database (enter to continue) " ); PS_print_time_diff( &before ); // getchar(); GB_transaction dummy( ARB_main ); GBDATA *group_tree = GB_entry(ARB_main, "group_tree"); if (!group_tree) { printf( "no 'group_tree' in database\n" ); error = GB_export_error( "no 'group_tree' in database" ); exit(1); } GBDATA *first_level_node = PS_get_first_node( group_tree ); if (!first_level_node) { printf( "no 'node' found in group_tree\n" ); error = GB_export_error( "no 'node' found in group_tree" ); exit(1); } // // read Name <-> ID mappings // times( &before ); printf( "init Species <-> ID - Map\n" ); PG_initSpeciesMaps( ARB_main ); int species_count = PG_NumberSpecies(); printf( "%i species in the map ", species_count ); if (species_count >= 10) { printf( "\nhere are the first 10 :\n" ); int count = 0; for (ID2NameMapCIter i=__ID2NAME_MAP.begin(); count<10; ++i,++count) { printf( "[ %2i ] %s\n", i->first, i->second.c_str() ); } } __MIN_ID = __ID2NAME_MAP.begin()->first; __MAX_ID = __ID2NAME_MAP.rbegin()->first; printf( "IDs %i .. %i\n(enter to continue) ", __MIN_ID, __MAX_ID ); PS_print_time_diff( &before ); // getchar(); // // create output database // string output_DB_name(DB_name); size_t suffix_pos = output_DB_name.rfind( ".arb" ); if (suffix_pos != string::npos) { output_DB_name.erase( suffix_pos ); } output_DB_name.append( ".wf" ); if (suffix_pos == string::npos) { printf( "cannot find suffix '.arb' in database name '%s'\n", DB_name ); printf( "output file will be named '%s'\n", output_DB_name.c_str() ); } PS_Database *ps_db = new PS_Database( output_DB_name.c_str(), PS_Database::WRITEONLY ); // // copy mappings // ps_db->setMappings( __NAME2ID_MAP, __ID2NAME_MAP ); // // extract data from ARB database // times( &before ); printf( "extracting probe-data...\n" ); PS_detect_probe_length( group_tree ); printf( "probe_length = %d\n",__PROBE_LENGTH ); __ROOT = ps_db->getRootNode(); first_level_node = PS_get_first_node( group_tree ); unsigned int c = 0; IDVector *inverse_path = new IDVector; struct tms before_first_level_node; for (; first_level_node; ++c) { if (c % 100 == 0) { times( &before_first_level_node ); printf( "1st level node #%u ", c+1 ); } PS_extract_probe_data( first_level_node, species_count, 0, __MIN_ID-1, inverse_path ); first_level_node = PS_get_next_node( first_level_node ); if (c % 100 == 0) { PS_print_time_diff( &before_first_level_node, "this node ", " " ); PS_print_time_diff( &before, "total ", "\n" ); } } printf( "done after %u 1st level nodes\n",c ); printf( "(enter to continue) " ); PS_print_time_diff( &before ); // getchar(); // // write database to file // times( &before ); printf( "writing probe-data to %s..\n",output_DB_name.c_str() ); ps_db->save(); printf( "..done saving (enter to continue) " ); PS_print_time_diff( &before ); delete inverse_path; delete ps_db; before.tms_utime = 0; before.tms_stime = 0; printf( "total " ); PS_print_time_diff( &before ); return 0; } ./arbsrc_9167/PROBE_SET/ps_database.cxx0000644012664100000130000001437411440742777017541 0ustar arb_buildcoders #include "ps_database.hxx" using namespace std; void PS_Database::reinit( const char *_name, bool _readonly ) { if (db_file) { db_file->reinit( _name, _readonly ); } else { db_file = new PS_FileBuffer( _name, _readonly ); } db_name2id_map.clear(); db_id2name_map.clear(); if (!db_rootnode.Null()) db_rootnode.SetNull(); db_rootnode = new PS_Node( -1 ); } void PS_Database::readMappings( PS_FileBuffer *_file, ID2NameMap &_id2name_map, Name2IDMap &_name2id_map ) { char *buffer = (char *)malloc( _file->BUFFER_SIZE ); // read number of species unsigned long int number_of_species = 0; _file->get_ulong( number_of_species ); // read mappings for (unsigned long int i = 0; i < number_of_species; ++i) { // read id SpeciesID id; _file->get( &id, sizeof(SpeciesID) ); // read name unsigned int length_of_name; _file->get_uint( length_of_name ); _file->get( buffer, length_of_name ); // store in mappings string name(buffer,length_of_name); _id2name_map[ id ] = name; _name2id_map[ name ] = id; } free( buffer ); } void PS_Database::writeMappings( PS_FileBuffer *_file, ID2NameMap &_id2name_map ) { // write number of species _file->put_ulong( _id2name_map.size() ); // write mappings for (ID2NameMapCIter i = _id2name_map.begin(); i != _id2name_map.end(); ++i ) { // write id _file->put( &(i->first), sizeof(SpeciesID) ); // write name; unsigned int length_of_name = i->second.size(); _file->put_uint( length_of_name ); _file->put( i->second.c_str(), length_of_name ); } } void PS_Database::readTree( PS_FileBuffer *_file ) { if (!db_rootnode.Null()) db_rootnode.SetNull(); // discard old tree db_rootnode = new PS_Node( -1 ); db_rootnode->load( _file ); } void PS_Database::writeTree( PS_FileBuffer *_file ) { if (db_rootnode.Null()) return; // no tree, no write db_rootnode->save( _file ); } bool PS_Database::readHeader( PS_FileBuffer *_file ) { char *buffer = (char *) malloc( FILE_ID.size() ); _file->get( buffer, FILE_ID.size() ); bool file_ok = (FILE_ID.compare( buffer ) == 0); if (buffer) free( buffer ); return file_ok; } void PS_Database::writeHeader( PS_FileBuffer *_file ) { _file->put( FILE_ID.c_str(), FILE_ID.size() ); } void PS_Database::callback( void *_caller ) { // // return if node has no probes // if (!((PS_Node *)_caller)->hasProbes()) return; // // convert IDs from file to DB-IDs // IDSet path; PS_NodePtr current_node = db_path; while (current_node->hasChildren()) { // get next node in path pair child = current_node->getChild( 0 ); ps_assert(child.first); current_node = child.second; // get ID from node SpeciesID id = current_node->getNum(); // store ID in ID-Set ID2IDMapCIter db_id = db_file2db_id_map.find( id ); path.insert( (db_id == db_file2db_id_map.end()) ? id : db_id->second ); } // // assert path // current_node = db_rootnode; for (IDSetCIter id=path.begin(); id != path.end(); ++id) { current_node = current_node->assertChild( *id ); } // // append probes // current_node->addProbes( ((PS_Node *)_caller)->getProbesBegin(), ((PS_Node *)_caller)->getProbesEnd() ); } bool PS_Database::merge( const char *_other_db_name ) { // // read other DB's mappings // PS_FileBuffer *other_db_file = new PS_FileBuffer( _other_db_name, PS_FileBuffer::READONLY ); Name2IDMap other_name2id_map; ID2NameMap other_id2name_map; if (!readHeader( other_db_file )) return false; // not a file i wrote readMappings( other_db_file, other_id2name_map, other_name2id_map ); // // get next assignable ID from highest used ID in mappings // SpeciesID next_usable_ID = (db_id2name_map.rbegin()->first > other_id2name_map.rbegin()->first) ? db_id2name_map.rbegin()->first +1 : other_id2name_map.rbegin()->first +1; // // iterate over DB names // db_file2db_id_map.clear(); for (Name2IDMapCIter i=db_name2id_map.begin(); i != db_name2id_map.end(); ++i) { // lookup name in other mapping Name2IDMapIter other_i = other_name2id_map.find( i->first ); // if name not in other mapping if (other_i == other_name2id_map.end()) { // lookup ID in other mapping ID2NameMapIter other_i2 = other_id2name_map.find( i->second ); // if ID is used for other name in other_mappings if (other_i2 != other_id2name_map.end()) { // lookup other name in DB mapping Name2IDMapIter i2 = db_name2id_map.find( other_i2->second ); // if other name is not in DB mapping if (i2 == db_name2id_map.end()) { // store file->DB ID mapping db_file2db_id_map[ other_i2->first ] = next_usable_ID; ++next_usable_ID; // erase handled name other_name2id_map.erase( other_i2->second ); } } } // if name in other mapping with different ID else if (other_i->second != i->second) { // store file->DB ID mapping db_file2db_id_map[ other_i->second ] = i->second; // erase handled name other_name2id_map.erase( other_i ); } // if name in other mapping with same ID else { // erase handled name other_name2id_map.erase( other_i ); } } // // iterate over remaining file names // for (Name2IDMapCIter other_i=other_name2id_map.begin(); other_i != other_name2id_map.end(); ++other_i) { db_file2db_id_map[ other_i->second ] = next_usable_ID; ++next_usable_ID; } db_MAX_ID = next_usable_ID-1; // append tree if mappings are equal if (db_file2db_id_map.size() == 0) { return db_rootnode->append( other_db_file ); } // merge in tree if mappings differ else { if (db_path.Null()) db_path = new PS_Node(-1); return db_path->read( other_db_file, this ); } } ./arbsrc_9167/PROBE_SET/ps_database.hxx0000644012664100000130000001102411440742777017533 0ustar arb_buildcoders#ifndef PS_DATABASE_HXX #define PS_DATABASE_HXX #ifndef PS_DEFS_HXX #include "ps_defs.hxx" #endif #ifndef PS_NODE_HXX #include "ps_node.hxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif using namespace std; class PS_Database : PS_Callback { private: string FILE_ID; // file PS_FileBuffer *db_file; // ID<->name mappings Name2IDMap db_name2id_map; ID2NameMap db_id2name_map; // tree PS_NodePtr db_rootnode; bool readHeader( PS_FileBuffer *_file ); void writeHeader( PS_FileBuffer *_file ); void readMappings( PS_FileBuffer *_file, ID2NameMap &_id2name_map, Name2IDMap &_name2id_map ); void writeMappings( PS_FileBuffer *_file, ID2NameMap &_id2name_map ); void readTree( PS_FileBuffer *_file ); void writeTree( PS_FileBuffer *_file ); // tree merging data structures and functions ID2IDMap db_file2db_id_map; PS_NodePtr db_path; SpeciesID db_MAX_ID; SpeciesID db_MIN_ID; void callback( void *_caller ); public: static const bool READONLY = true; static const bool WRITEONLY = false; // // I/O // bool load() { if (!db_file->isReadonly()) return false; // cannot read a writeonly file if (!readHeader( db_file )) return false; // not a file i wrote readMappings( db_file, db_id2name_map, db_name2id_map ); readTree( db_file ); return true; } bool save() { if (db_file->isReadonly()) return false; // cannot write to a readonly file writeHeader( db_file ); writeMappings( db_file, db_id2name_map ); writeTree( db_file ); return true; } bool saveTo( const char *_filename ) { PS_FileBuffer *file = new PS_FileBuffer( _filename, PS_FileBuffer::WRITEONLY ); writeHeader( file ); writeMappings( file, db_id2name_map ); writeTree( file ); if (file) delete file; return true; } bool merge( const char *_other_db_name ); // // access tree // PS_NodePtr getRootNode() { return db_rootnode; } const PS_NodePtr getConstRootNode() { return db_rootnode; } // // access mappings // bool getIDForName( SpeciesID &_id, const string &_name ) { Name2IDMapCIter it = db_name2id_map.find( _name ); if (it != db_name2id_map.end()) { _id = it->second; return true; } else { return false; } } bool getNameForID( const SpeciesID _id, string &_name ) { ID2NameMapCIter it = db_id2name_map.find( _id ); if (it != db_id2name_map.end()) { _name = it->second; return true; } else { return false; } } bool insertMapping( SpeciesID _id, const string &_name ) { ID2NameMapCIter it = db_id2name_map.find( _id ); if (it != db_id2name_map.end()) { return (it->second.compare( _name ) == 0); // return false if _name is not the string already stored for _id } else { db_id2name_map[ _id ] = _name; db_name2id_map[ _name ] = _id; return true; } } void setMappings( Name2IDMap &_name2id, ID2NameMap &_id2name ) { db_name2id_map.clear(); db_name2id_map = Name2IDMap( _name2id ); db_id2name_map.clear(); db_id2name_map = ID2NameMap( _id2name ); } SpeciesID getMaxID() { return db_id2name_map.rbegin()->first; } SpeciesID getMinID() { return db_id2name_map.begin()->first; } long getSpeciesCount() { return db_id2name_map.size(); } // // utility-functions // bool isReadonly() { return db_file->isReadonly(); } // // initialization-functions // void reinit( const char *_name, bool _readonly ); // reinit. with new file PS_Database( const char *_name, bool _readonly ) { FILE_ID = "PROBE_SET_DATABASE V1.0\n"; db_file = 0; db_rootnode.SetNull(); reinit( _name, _readonly ); } virtual ~PS_Database() { if (db_file) delete db_file; db_name2id_map.clear(); db_id2name_map.clear(); db_rootnode.SetNull(); } }; #else #error ps_database.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_defs.hxx0000644012664100000130000000606011440742777016714 0ustar arb_buildcoders#ifndef PS_DEFS_HXX #define PS_DEFS_HXX #ifndef _CPP_MAP #include #endif #ifndef _CPP_SET #include #endif #ifndef _CPP_VECTOR #include #endif #ifndef _CPP_STRING #include #endif typedef int SpeciesID; // ---------------------------------------------------------------- // SpeciesID <-> shortname mapping // ---------------------------------------------------------------- typedef std::map Name2IDMap; typedef Name2IDMap::iterator Name2IDMapIter; typedef Name2IDMap::const_iterator Name2IDMapCIter; typedef std::map ID2NameMap; typedef ID2NameMap::iterator ID2NameMapIter; typedef ID2NameMap::const_iterator ID2NameMapCIter; // ---------------------------------------------------------------- // SpeciesID list (as vector) // ---------------------------------------------------------------- typedef std::vector IDVector; typedef IDVector::iterator IDVectorIter; typedef IDVector::const_iterator IDVectorCIter; // ---------------------------------------------------------------- // SpeciesID list (as set) // ---------------------------------------------------------------- typedef std::set IDSet; typedef IDSet::iterator IDSetIter; typedef IDSet::const_iterator IDSetCIter; // ---------------------------------------------------------------- // SpeciesID <-> SpeciesID (as map) // ---------------------------------------------------------------- typedef std::map ID2IDMap; typedef ID2IDMap::iterator ID2IDMapIter; typedef ID2IDMap::const_iterator ID2IDMapCIter; // ---------------------------------------------------------------- // SpeciesID <-> SpeciesID (as set) // ---------------------------------------------------------------- typedef std::pair ID2IDPair; typedef std::set ID2IDSet; typedef ID2IDSet::iterator ID2IDSetIter; typedef ID2IDSet::const_iterator ID2IDSetCIter; // ---------------------------------------------------------------- // (SpeciesID,SpeciesID) <-> set of SpeciesID (as map) // ---------------------------------------------------------------- typedef std::map IDID2IDSetMap; typedef IDID2IDSetMap::iterator IDID2IDSetMapIter; typedef IDID2IDSetMap::const_iterator IDID2IDSetMapCIter; // ---------------------------------------------------------------- // classes // ---------------------------------------------------------------- class PS_Callback { public: virtual ~PS_Callback() {} virtual void callback( void *_caller ) = 0; }; // ---------------------------------------------------------------- // functions // ---------------------------------------------------------------- #ifndef NDEBUG # define ps_assert(bed) do { if (!(bed)) *(int *)0=0; } while (0) # ifndef DEBUG # error DEBUG is NOT defined - but it has to! # endif #else # ifdef DEBUG # error DEBUG is defined - but it should not! # endif # define ps_assert(bed) #endif /* NDEBUG */ #else #error ps_defs.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_detect_weak_differences.cxx0000644012664100000130000004637211440742777022614 0ustar arb_buildcoders#include "ps_database.hxx" #include "ps_bitmap.hxx" #include "ps_tools.hxx" #include #include #include #include #include // common globals SpeciesID __MAX_ID; SpeciesID __MIN_ID; PS_BitMap_Fast *__MAP; // globals for PS_detect_weak_differences IDVector *__PATH; IDVector *__INVERSE_PATH; unsigned long int __COUNT_SET_OPS = 0; unsigned long int __COUNT_SET_OPS2 = 0; char *__NODES_LEFT; // globals for PS_print_and_evaluate_map IDSet *__PATHSET; IDID2IDSetMap *__PAIR2PATH; SpeciesID __ONEMATCH_MIN_ID; SpeciesID __ONEMATCH_MAX_ID; void PS_print_path() { printf( "__PATH %3zu :",__PATH->size() ); int c = 1; for (IDVectorCIter i = __PATH->begin(); i != __PATH->end(); ++i,++c) { if (c % 20 == 0) printf( "\n" ); printf( " %3i", *i ); } printf( "\n" ); } void PS_print_inverse_path() { printf( "__INVERSE_PATH %3zu :",__INVERSE_PATH->size() ); int c = 1; for (IDVectorCIter i = __INVERSE_PATH->begin(); i != __INVERSE_PATH->end(); ++i,++c) { if (c % 20 == 0) printf( "\n" ); printf( " %3i", *i ); } printf( "\n" ); } void PS_detect_weak_differences_stepdown( const PS_NodePtr _ps_node, const SpeciesID _parent_ID, const long _depth ) { // Recursively walk through tree and make a bool-matrix of SpeciesID's // where true means that the 2 species can be distinguished by a probe. // // The first occurrence of a pair of distinguishable IDs is stored as (smaller_ID,bigger_ID). // The following occurrence of this pair are stored as (bigger_ID,smaller_ID). // (this allows us to find pairs of SpeciesIDs that can be distinguished by exactly one probe) SpeciesID id = _ps_node->getNum(); if (_depth < 60) { printf( "%s", __NODES_LEFT ); for (int i = 0; i < 60; ++i) printf( "\b" ); fflush( stdout ); } // // append IDs to paths // __PATH->push_back( id ); // append id to path for (SpeciesID i = (_parent_ID < __MIN_ID) ? __MIN_ID : _parent_ID+1; i < id; ++i) { // append parent_id+1 .. id-1 to inverse path //printf( "%i ",i ); __INVERSE_PATH->push_back( i ); } // // set values in the maps if node has probes // if (_ps_node->hasProbes()) { if (_ps_node->hasPositiveProbes() && _ps_node->hasInverseProbes()) { // PS_print_path(); // PS_print_inverse_path(); unsigned long int set_ops = 2*__PATH->size()*(__MAX_ID-id-1+__INVERSE_PATH->size()); if (ULONG_MAX - __COUNT_SET_OPS < set_ops) { set_ops = set_ops - (ULONG_MAX - __COUNT_SET_OPS); __COUNT_SET_OPS = 0; ++__COUNT_SET_OPS2; } __COUNT_SET_OPS = __COUNT_SET_OPS + set_ops; SpeciesID inverse_path_ID; // path loop for (IDVectorCIter it_path = __PATH->begin(); it_path != __PATH->end(); ++it_path) { SpeciesID path_ID = *it_path; // inverse path loop (explicit) for (IDVectorCIter it_inverse_path = __INVERSE_PATH->begin(); it_inverse_path != __INVERSE_PATH->end(); ++it_inverse_path ) { inverse_path_ID = *it_inverse_path; __MAP->setTrue( path_ID, inverse_path_ID ); __MAP->setTrue( inverse_path_ID, path_ID ); } // inverse path loop (implicit) for (inverse_path_ID = id+1; inverse_path_ID < __MAX_ID; ++inverse_path_ID) { // skip to id ABOVE current node id __MAP->setTrue( path_ID, inverse_path_ID ); __MAP->setTrue( inverse_path_ID, path_ID ); } } } else { // PS_print_path(); // PS_print_inverse_path(); unsigned long int set_ops = __PATH->size()*(__MAX_ID-id-1+__INVERSE_PATH->size()); if (ULONG_MAX - __COUNT_SET_OPS < set_ops) { set_ops = set_ops - (ULONG_MAX - __COUNT_SET_OPS); __COUNT_SET_OPS = 0; ++__COUNT_SET_OPS2; } __COUNT_SET_OPS = __COUNT_SET_OPS + set_ops; SpeciesID inverse_path_ID; SpeciesID smaller_ID; SpeciesID bigger_ID; // path loop for (IDVectorCIter it_path = __PATH->begin(); it_path != __PATH->end(); ++it_path) { SpeciesID path_ID = *it_path; // inverse path loop (explicit) for (IDVectorCIter it_inverse_path = __INVERSE_PATH->begin(); it_inverse_path != __INVERSE_PATH->end(); ++it_inverse_path ) { inverse_path_ID = *it_inverse_path; smaller_ID = (path_ID < inverse_path_ID) ? path_ID : inverse_path_ID; bigger_ID = (path_ID > inverse_path_ID) ? path_ID : inverse_path_ID; if (__MAP->get( smaller_ID, bigger_ID )) { __MAP->setTrue( bigger_ID, smaller_ID ); } else { __MAP->setTrue( smaller_ID, bigger_ID ); } } // inverse path loop (implicit) for (inverse_path_ID = id+1; inverse_path_ID < __MAX_ID; ++inverse_path_ID) { // skip to id ABOVE current node id smaller_ID = (path_ID < inverse_path_ID) ? path_ID : inverse_path_ID; bigger_ID = (path_ID > inverse_path_ID) ? path_ID : inverse_path_ID; if (__MAP->get( smaller_ID, bigger_ID )) { __MAP->setTrue( bigger_ID, smaller_ID ); } else { __MAP->setTrue( smaller_ID, bigger_ID ); } } } } } // // step down the children // int c = _ps_node->countChildren()-1; for ( PS_NodeMapConstIterator i = _ps_node->getChildrenBegin(); i != _ps_node->getChildrenEnd(); ++i,--c ) { if (_depth < 60) { if (c < 10) { __NODES_LEFT[ _depth ] = '0'+c; } else { __NODES_LEFT[ _depth ] = '+'; } } PS_detect_weak_differences_stepdown( i->second, id, _depth+1 ); } if (_depth < 60) __NODES_LEFT[ _depth ] = ' '; // // remove IDs from paths // __PATH->pop_back(); while ((__INVERSE_PATH->back() > _parent_ID) && (!__INVERSE_PATH->empty())) { __INVERSE_PATH->pop_back(); } } void PS_detect_weak_differences( const PS_NodePtr _root_node ) { // // make bitmap // __PATH = new IDVector; __INVERSE_PATH = new IDVector; int c = 0; struct tms before; times( &before ); struct tms before_first_level_node; for (PS_NodeMapConstIterator i = _root_node->getChildrenBegin(); i != _root_node->getChildrenEnd(); ++i,++c ) { if (_root_node->countChildren()-c-1 < 10) { __NODES_LEFT[0] = '0'+_root_node->countChildren()-c-1; } else { __NODES_LEFT[0] = '+'; } if ((c < 50) || (c % 100 == 0)) { times( &before_first_level_node ); printf( "PS_detect_weak_differences_stepdown( %i ) : %i. of %zu ", i->first, c+1, _root_node->countChildren() ); fflush( stdout ); } PS_detect_weak_differences_stepdown( i->second, -1, 1 ); if ((c < 50) || (c % 100 == 0)) { PS_print_time_diff( &before_first_level_node, "this node ", " " ); PS_print_time_diff( &before, "total ", "\n" ); } } printf( "%lu * %lu + %lu set operations performed\n", __COUNT_SET_OPS2, ULONG_MAX, __COUNT_SET_OPS ); fflush( stdout ); delete __PATH; delete __INVERSE_PATH; } typedef map IDID2NodeMap; typedef IDID2NodeMap::iterator IDID2NodeMapIter; typedef IDID2NodeMap::const_iterator IDID2NodeMapCIter; void PS_find_probes_for_pairs( const PS_NodePtr _ps_node, ID2IDSet &_pairs ) { SpeciesID id = _ps_node->getNum(); bool has_probes = _ps_node->hasProbes(); // // append ID to path // __PATHSET->insert( id ); // // dont look at path until ID is greater than lowest ID in the set of ID-pairs // if ((id >= __ONEMATCH_MIN_ID) && has_probes) { for (ID2IDSetCIter pair=_pairs.begin(); pair != _pairs.end(); ++pair) { // look for pair-IDs in the path bool found_first = __PATHSET->find( pair->first ) != __PATHSET->end(); bool found_second = __PATHSET->find( pair->second ) != __PATHSET->end(); if (found_first ^ found_second) { // ^ is XOR printf( "found path for (%i,%i) at %p ", pair->first, pair->second,&(*_ps_node) ); _ps_node->printOnlyMe(); (*__PAIR2PATH)[ *pair ] = *__PATHSET; // store path _pairs.erase( pair ); // remove found pair // scan pairs for new min,max IDs if ((pair->first == __ONEMATCH_MIN_ID) || (pair->second == __ONEMATCH_MAX_ID)) { __ONEMATCH_MIN_ID = __MAX_ID; __ONEMATCH_MAX_ID = -1; for (ID2IDSetCIter p=_pairs.begin(); p != _pairs.end(); ++p) { if (p->first < __ONEMATCH_MIN_ID) __ONEMATCH_MIN_ID = p->first; if (p->second > __ONEMATCH_MAX_ID) __ONEMATCH_MAX_ID = p->second; } printf( " new MIN,MAX (%d,%d)", __ONEMATCH_MIN_ID, __ONEMATCH_MAX_ID ); } printf( "\n" ); } } } // // step down the children unless all paths are found // if either ID is lower than highest ID in the set of ID-pairs // or the node has no probes // if ((id < __ONEMATCH_MAX_ID) || (! has_probes)) { for (PS_NodeMapConstIterator i = _ps_node->getChildrenBegin(); (i != _ps_node->getChildrenEnd()) && (!_pairs.empty()); ++i) { PS_find_probes_for_pairs( i->second, _pairs ); } } // // remove ID from path // __PATHSET->erase( id ); } void PS_print_and_evaluate_map( const PS_NodePtr _root_node, const char *_result_filename ) { // // print and evaluate bitmap // printf( "\n\n----------------- bitmap ---------------\n\n" ); SpeciesID smaller_id; SpeciesID bigger_id; ID2IDSet noMatch; ID2IDSet oneMatch; bool bit1; bool bit2; __ONEMATCH_MIN_ID = __MAX_ID; __ONEMATCH_MAX_ID = __MIN_ID; for (SpeciesID id1 = __MIN_ID; id1 <= __MAX_ID; ++id1) { // printf( "[%6i] ",id1 ); for (SpeciesID id2 = __MIN_ID; id2 <= id1; ++id2) { smaller_id = (id1 < id2) ? id1 : id2; bigger_id = (id1 < id2) ? id2 : id1; bit1 = __MAP->get( smaller_id, bigger_id ); bit2 = __MAP->get( bigger_id, smaller_id ); if (bit1 && bit2) { // printf( "2" ); } else if (bit1) { // printf( "1" ); oneMatch.insert( ID2IDPair(smaller_id,bigger_id) ); if (smaller_id < __ONEMATCH_MIN_ID) __ONEMATCH_MIN_ID = smaller_id; if (bigger_id > __ONEMATCH_MAX_ID) __ONEMATCH_MAX_ID = bigger_id; } else { // printf( "0" ); if (id1 != id2) noMatch.insert( ID2IDPair(smaller_id,bigger_id) ); // there are no probes to distinguish a species from itself .. obviously } } // printf( "\n" ); } printf( "(enter to continue)\n" ); // getchar(); printf( "\n\n----------------- no matches ---------------\n\n" ); if (!_result_filename) { for (ID2IDSetCIter i = noMatch.begin(); i != noMatch.end(); ++i) { printf( "%6i %6i\n", i->first, i->second ); } } printf( "%zu no matches\n(enter to continue)\n", noMatch.size() ); // getchar(); printf( "\n\n----------------- one match ---------------\n\n" ); if (!_result_filename) { for (ID2IDSetCIter i = oneMatch.begin(); i != oneMatch.end(); ++i) { printf( "%6i %6i\n", i->first, i->second ); } } printf( "%zu one matches\n(enter to continue)\n", oneMatch.size() ); // getchar(); // // find paths for pairs // __PATHSET = new IDSet; __PAIR2PATH = new IDID2IDSetMap; int c = 0; for (PS_NodeMapConstIterator i = _root_node->getChildrenBegin(); (i != _root_node->getChildrenEnd()) && (!oneMatch.empty()); ++i,++c ) { if ((c < 50) || (c % 100 == 0)) printf( "PS_find_probes_for_pairs( %i ) : %i of %zu\n", i->first, c+1, _root_node->countChildren() ); PS_find_probes_for_pairs( i->second, oneMatch ); } // // print paths // for (IDID2IDSetMapCIter i = __PAIR2PATH->begin(); i != __PAIR2PATH->end(); ++i) { printf( "\nPair (%i,%i) Setsize (%zu)", i->first.first, i->first.second, i->second.size() ); PS_NodePtr current_node = _root_node; long c2 = 0; for (IDSetCIter path_id=i->second.begin(); path_id !=i->second.end(); ++path_id,++c2) { current_node = current_node->getChild( *path_id ).second; if (c2 % 10 == 0) printf( "\n" ); printf( "%6i%s ", *path_id, (current_node->hasProbes()) ? ((current_node->hasInverseProbes()) ? "*" : "+") : "-" ); } printf( "\nFinal Node : %p ", &(*current_node) ); current_node->printOnlyMe(); printf( "\n" ); } printf( "\n%zu paths\n", __PAIR2PATH->size() ); // // oups // if (!oneMatch.empty()) { printf( "did not find a path for these :\n" ); for (ID2IDSetCIter i = oneMatch.begin(); i != oneMatch.end(); ++i) { printf( "%6i %6i\n", i->first, i->second ); } } // // make preset map // PS_BitMap_Counted *preset = new PS_BitMap_Counted( false, __MAX_ID+1 ); // set bits for no matches for (ID2IDSetCIter pair=noMatch.begin(); pair != noMatch.end(); ++pair) { preset->setTrue( pair->second, pair->first ); } // iterate over paths for (IDID2IDSetMapCIter i = __PAIR2PATH->begin(); i != __PAIR2PATH->end(); ++i) { // iterate over all IDs except path IDSetCIter path_iter = i->second.begin(); SpeciesID next_path_id = *path_iter; for (SpeciesID id = __MIN_ID; id <= __MAX_ID; ++id) { if (id == next_path_id) { // if i run into a ID in path ++path_iter; // advance to next path ID next_path_id = (path_iter == i->second.end()) ? -1 : *path_iter; continue; // skip this ID } // iterate over path IDs for (IDSetCIter path_id = i->second.begin(); path_id != i->second.end(); ++path_id) { if (id == *path_id) continue; // obviously a probe cant differ a species from itself if (id > *path_id) { preset->setTrue( id,*path_id ); } else { preset->setTrue( *path_id,id ); } } } } preset->recalcCounters(); if (!_result_filename) preset->print(); // // save results // if (_result_filename) { PS_FileBuffer *result_file = new PS_FileBuffer( _result_filename, PS_FileBuffer::WRITEONLY ); // no matches printf( "saving no matches to %s...\n", _result_filename ); result_file->put_long( noMatch.size() ); for (ID2IDSetCIter i = noMatch.begin(); i != noMatch.end(); ++i) { result_file->put_int( i->first ); result_file->put_int( i->second ); } // one matches printf( "saving one matches to %s...\n", _result_filename ); result_file->put_long( __PAIR2PATH->size() ); for (IDID2IDSetMapCIter i = __PAIR2PATH->begin(); i != __PAIR2PATH->end(); ++i) { result_file->put_int( i->first.first ); result_file->put_int( i->first.second ); result_file->put_long( i->second.size() ); for (IDSetCIter path_id=i->second.begin(); path_id !=i->second.end(); ++path_id) { result_file->put_int( *path_id ); } } // preset bitmap printf( "saving preset bitmap to %s...\n", _result_filename ); preset->save( result_file ); delete result_file; } delete preset; delete __PATHSET; delete __PAIR2PATH; } // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // open probe-set-database if (argc < 2) { printf( "Missing argument\n Usage %s [[-]bitmap filename] [+result filename]\n ", argv[0] ); printf( "if bitmap filename begins with '-' it is loaded, else its created\n " ); printf( "result filename MUST be preceded by '+'\n" ); exit( 1 ); } const char *input_DB_name = argv[1]; const char *bitmap_filename = 0; const char *result_filename = 0; if (argc > 2) { if (argv[2][0] == '+') { result_filename = argv[2]+1; } else { bitmap_filename = argv[2]; } } if (argc > 3) { if (argv[3][0] == '+') { result_filename = argv[3]+1; } else { bitmap_filename = argv[3]; } } struct tms before; times( &before ); printf( "Opening probe-set-database '%s'..\n", input_DB_name ); PS_Database *db = new PS_Database( input_DB_name, PS_Database::READONLY ); db->load(); __MAX_ID = db->getMaxID(); __MIN_ID = db->getMinID(); PS_print_time_diff( &before, "(enter to continue) " ); // getchar(); __MAP = new PS_BitMap_Fast( false, __MAX_ID+1 ); if (!bitmap_filename || (bitmap_filename[0] != '-')) { printf( "detecting..\n" ); fflush( stdout ); __NODES_LEFT = (char*)malloc( 61 ); memset( __NODES_LEFT, ' ', 60 ); __NODES_LEFT[ 60 ] = '\x00'; PS_detect_weak_differences( db->getRootNode() ); free( __NODES_LEFT ); if (bitmap_filename) { printf( "saving bitmap to file %s\n", bitmap_filename ); PS_FileBuffer *mapfile = new PS_FileBuffer( bitmap_filename, PS_FileBuffer::WRITEONLY ); __MAP->save( mapfile ); delete mapfile; } } else if (bitmap_filename) { printf( "loading bitmap from file %s\n",bitmap_filename+1 ); PS_FileBuffer *mapfile = new PS_FileBuffer( bitmap_filename+1, PS_FileBuffer::READONLY ); __MAP->load( mapfile ); delete mapfile; } printf( "(enter to continue)\n" ); // getchar(); times( &before ); PS_print_and_evaluate_map( db->getRootNode(), result_filename ); PS_print_time_diff( &before, "(enter to continue) " ); // getchar(); delete __MAP; printf( "removing database from memory\n" ); delete db; printf( "(enter to continue)\n" ); // getchar(); return 0; } ./arbsrc_9167/PROBE_SET/ps_eval_candidates.cxx0000644012664100000130000005263511440742777021105 0ustar arb_buildcoders#include #include #include #include #include #include "ps_tools.hxx" #include "ps_database.hxx" #include "ps_candidate.hxx" void PS_get_leaf_candidates( PS_CandidatePtr _candidate_parent, PS_CandidateSet &_leaf_candidates ) { for ( PS_CandidateByGainMapRIter next_candidate = _candidate_parent->children.rbegin(); next_candidate != _candidate_parent->children.rend(); ++next_candidate ) { if (next_candidate->second->children.size() == 0){ _leaf_candidates.insert( next_candidate->second ); } PS_get_leaf_candidates( &(*next_candidate->second), _leaf_candidates ); } } typedef set PS_NodeSet; typedef pair PS_Candidate2NodeSetPair; typedef multimap PS_Candidate2NodeSetPairByLengthMap; void PS_get_node_paths( PS_CandidateSet &_leaf_candidates, PS_Candidate2NodeSetPairByLengthMap &_paths ) { PS_NodeSet nodepath; for ( PS_CandidateSetCIter candidate_iter = _leaf_candidates.begin(); candidate_iter != _leaf_candidates.end(); ++candidate_iter ) { // get nodepath of candidate PS_CandidateSPtr candidate_sptr = *candidate_iter; PS_CandidatePtr candidate = &(*candidate_sptr); nodepath.clear(); while ((candidate) && (!candidate->node.Null())) { nodepath.insert( &(*(candidate->node)) ); candidate = candidate->parent; } // compare nodepath of candidate with stored paths PS_Candidate2NodeSetPairByLengthMap::iterator stored_path; bool found = false; for ( stored_path = _paths.find( candidate->depth ); // find first path with path length == depth ((stored_path != _paths.end()) && // while not at end of paths (stored_path->first == candidate->depth) && // and path length == depth (!found)); // and not found yet ++stored_path ) { found = stored_path->second.second == nodepath; } if (!found) { // not found -> store nodepath candidate_sptr = *candidate_iter; candidate = &(*candidate_sptr); _paths.insert( pair( candidate->depth,PS_Candidate2NodeSetPair( candidate,nodepath ) ) ); } } } typedef set ULSet; typedef set USSet; typedef map FFMap; typedef set FSet; inline unsigned long PS_calc_temp( const PS_ProbePtr &_probe ) { return ( 4*(_probe->length - _probe->GC_content) + 2*_probe->GC_content ); } void PS_calc_sums_for_nodepath( PS_NodeSet &_nodepath, ULSet &_sums ) { // iterate over nodes in path ULSet sums_for_node; ULSet temperatures; for ( PS_NodeSet::const_iterator node = _nodepath.begin(); node != _nodepath.end(); ++node ) { // iterate over probes of node sums_for_node.clear(); temperatures.clear(); for ( PS_ProbeSetCIter probe_iter = (*node)->getProbesBegin(); probe_iter != (*node)->getProbesEnd(); ++probe_iter ) { PS_ProbePtr probe = *probe_iter; // test if already calculated sums for temperature of probe unsigned long temperature = PS_calc_temp( probe ); ULSet::iterator found = temperatures.find( temperature ); if (found != temperatures.end()) continue; // calc sums temperatures.insert( temperature ); // printf( "node [%p] temp (%lu) sums ( ", *node, temperature ); for ( ULSet::iterator sum = _sums.begin(); sum != _sums.end(); ++sum ) { sums_for_node.insert( *sum + temperature ); } // for ( ULSet::iterator sum = sums_for_node.begin(); // sum != sums_for_node.end(); // ++sum ) { // printf( "%lu ", *sum ); // } // printf( ")\n"); } // store sums_for_node in _sums _sums = sums_for_node; } } bool PS_calc_min_sum_of_square_distances_to_average( PS_NodeSet &_nodepath, FFMap &_averages, float &_best_average, float &_min_sum ) { // iterate over nodes in path ULSet temperatures; FSet sums_for_average; float min_sum_for_node = -2.0; float best_average = -2.0; for ( PS_NodeSet::const_iterator node = _nodepath.begin(); (node != _nodepath.end()) && ((_min_sum < 0) || (_min_sum > min_sum_for_node)); ++node ) { // iterate over averages for ( FFMap::iterator average = _averages.begin(); average != _averages.end(); ++average ) { if ((_min_sum > 0) && (average->second > _min_sum)) continue; // iterate over probes of node // printf( "\nnode [%p] avg (%.3f,%.3f)", *node, average->first, average->second ); sums_for_average.clear(); temperatures.clear(); for ( PS_ProbeSetCIter probe_iter = (*node)->getProbesBegin(); probe_iter != (*node)->getProbesEnd(); ++probe_iter ) { PS_ProbePtr probe = *probe_iter; // test if already calculated sum for GC-content of probe unsigned long temperature = PS_calc_temp( probe ); ULSet::iterator found = temperatures.find( temperature ); if (found != temperatures.end()) continue; // calc sum temperatures.insert( temperature ); float distance = fabsf( average->first - temperature ); float sum = average->second + ( distance * distance ); sums_for_average.insert( sum ); // printf( " temp (%lu) sum (%.3f)", temperature, sum ); } // store min sum average->second = *sums_for_average.begin(); // printf( " -> %.3f", average->second ); } // update min sum for node min_sum_for_node = _averages.begin()->second; best_average = _averages.begin()->first; for ( FFMap::iterator average = _averages.begin(); average != _averages.end(); ++average ) { if (average->second < min_sum_for_node) { min_sum_for_node = average->second; best_average = average->first; } } // printf( " => min_sum_for_node (%.3f) @ average (%.3f)", min_sum_for_node, best_average ); } // printf( "\n" ); if ((_min_sum < 0) || (min_sum_for_node < _min_sum)) { printf( "UPDATED _best_average (%7.3f) _min_sum (%10.3f) <- best_average (%7.3f) min_sum_for_node (%10.3f)\n", _best_average, _min_sum, best_average, min_sum_for_node ); _min_sum = min_sum_for_node; _best_average = best_average; return true; } else { printf( "aborted _best_average (%7.3f) _min_sum (%10.3f) best_average (%7.3f) min_sum_for_node (%10.3f)\n", _best_average, _min_sum, best_average, min_sum_for_node ); return false; } } void PS_eval_node_paths( PS_Candidate2NodeSetPairByLengthMap &_paths, float &_min_sum_of_square_distances_to_average, float &_best_average ) { // // initially calc min square distance for one candidate // PS_Candidate2NodeSetPairByLengthMap::iterator stored_path = _paths.begin(); // calc sums of GC-contents of probes for nodes in candidate's path ULSet sums; sums.insert( 0 ); PS_calc_sums_for_nodepath( stored_path->second.second, sums ); // calc average GC-contents // printf( "averages : ( " ); FFMap averages; for ( ULSet::iterator sum = sums.begin(); sum != sums.end(); ++sum ) { float avg = (float)(*sum) / stored_path->first; averages[ avg ] = 0.0; // printf( "%7.3f, 0.000 ", avg ); } // printf( ")\n" ); // search minimum of sum of square distance to average _min_sum_of_square_distances_to_average = -1; printf( "[%p] distance: ", stored_path->second.first ); PS_calc_min_sum_of_square_distances_to_average( stored_path->second.second, averages, _best_average, _min_sum_of_square_distances_to_average ); // printf( "averages : ( " ); // for (FFMap::iterator avg = averages.begin(); // avg != averages.end(); // ++avg ) { // printf( "%7.3f,%7.3f ", avg->first, avg->second ); // } // printf( ")\n\n" ); // iterate over remaining candidates PS_Candidate2NodeSetPairByLengthMap::iterator best_candidate = stored_path; for ( ++stored_path; stored_path != _paths.end(); ++stored_path ) { // calc sums sums.clear(); sums.insert( 0 ); PS_calc_sums_for_nodepath( stored_path->second.second, sums ); // calc averages averages.clear(); // printf( "averages : ( " ); for ( ULSet::iterator sum = sums.begin(); sum != sums.end(); ++sum ) { float avg = (float)(*sum) / stored_path->first; averages[ avg ] = 0.0; // printf( "%7.3f, 0.000 ", avg ); } // printf( ")\n" ); // search min distance printf( "[%p] distance: ", stored_path->second.first ); if (PS_calc_min_sum_of_square_distances_to_average( stored_path->second.second, averages, _best_average, _min_sum_of_square_distances_to_average )) { best_candidate = stored_path; } // printf( "averages : ( " ); // for (FFMap::iterator avg = averages.begin(); // avg != averages.end(); // ++avg ) { // printf( "%7.3f,%7.3f ", avg->first, avg->second ); // } // printf( ")\n\n" ); } // remove all but best candidate PS_Candidate2NodeSetPairByLengthMap::iterator to_delete = _paths.end(); for ( stored_path = _paths.begin(); stored_path != _paths.end(); ++stored_path ) { if (to_delete != _paths.end()) { _paths.erase( to_delete ); to_delete = _paths.end(); } if (stored_path != best_candidate) to_delete = stored_path; } if (to_delete != _paths.end()) { _paths.erase( to_delete ); to_delete = _paths.end(); } } void PS_remove_bad_probes( PS_NodeSet &_nodes, float _average, set &_probe_lengths ) { for ( PS_NodeSet::const_iterator node_iter = _nodes.begin(); node_iter != _nodes.end(); ++node_iter ) { PS_Node *node = *node_iter; // calc min distance float min_distance = _average * _average; for ( PS_ProbeSetCIter probe = node->getProbesBegin(); probe != node->getProbesEnd(); ++probe ) { float distance = fabsf( _average - PS_calc_temp( *probe ) ); if (distance < min_distance) min_distance = distance; } // remove probes with distance > min_distance // printf( "average (%.3f) min_distance (%.3f)\n", _average, min_distance ); PS_ProbeSetCIter to_delete = node->getProbesEnd(); for ( PS_ProbeSetCIter probe = node->getProbesBegin(); probe != node->getProbesEnd(); ++probe ) { if (to_delete != node->getProbesEnd()) { node->removeProbe( to_delete ); to_delete = node->getProbesEnd(); } float distance = fabsf( _average - PS_calc_temp( *probe ) ); if (distance > min_distance) { // printf( "node [%p] probes (%u) delete probe l(%u) gc(%u) temp(%lu) distance(%.3f)\n", // node, // node->countProbes(), // (*probe)->length, // (*probe)->GC_content, // PS_calc_temp( *probe ), // distance ); // fflush( stdout ); to_delete = probe; } } if (to_delete != node->getProbesEnd()) { node->removeProbe( to_delete ); to_delete = node->getProbesEnd(); } // select probe with greatest length if (node->countProbes() > 1) { // get greatest length unsigned max_length = 0; for ( PS_ProbeSetCIter probe = node->getProbesBegin(); probe != node->getProbesEnd(); ++probe ) { if (max_length < (*probe)->length) max_length = (*probe)->length; } // remove probes with length < max_length // printf( "max_length (%u)\n", max_length ); for ( PS_ProbeSetCIter probe = node->getProbesBegin(); probe != node->getProbesEnd(); ++probe ) { if (to_delete != node->getProbesEnd()) { node->removeProbe( to_delete ); to_delete = node->getProbesEnd(); } if ((*probe)->length < max_length) { // printf( "node [%p] probes (%u) delete probe l(%u)\n", // node, // node->countProbes(), // (*probe)->length ); // fflush( stdout ); to_delete = probe; } } if (to_delete != node->getProbesEnd()) { node->removeProbe( to_delete ); to_delete = node->getProbesEnd(); } } _probe_lengths.insert( (*node->getProbesBegin())->length ); } } // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // // check arguments // if (argc < 3) { printf( "Missing argument\n Usage %s \n", argv[0] ); exit( 1 ); } const char *input_DB_name = argv[1]; const char *final_candidates_filename = argv[2]; // // open probe-set-database // printf( "Opening probe-set-database '%s'..\n", input_DB_name ); PS_Database *db = new PS_Database( input_DB_name, PS_Database::READONLY ); db->load(); SpeciesID max_id = db->getMaxID(); unsigned long bits_in_map = ((max_id+1)*max_id)/2 + max_id+1; printf( "..loaded database (enter to continue)\n" ); fflush( stdout ); // // candidates // printf( "opening candidates-file '%s'..\n", final_candidates_filename ); PS_Candidate *candidates_root = new PS_Candidate( 0.0 ); PS_FileBuffer *candidates_file = new PS_FileBuffer( final_candidates_filename, PS_FileBuffer::READONLY ); candidates_root->load( candidates_file, bits_in_map, db->getConstRootNode() ); delete candidates_file; printf( "..loaded candidates file (enter to continue)\n" ); fflush( stdout ); // printf( "probes per candidate..\n" ); // candidates_root->printProbes( max_id - db->getMinID() + 1 ); // // scan candidates-tree for leaf candidates // printf( "\nsearching leaf candidates.. " ); PS_CandidateSet leaf_candidates; PS_get_leaf_candidates( candidates_root, leaf_candidates ); printf( "%zu\n", leaf_candidates.size() ); // // scan leaf-candidates for non-permutated node-paths // printf( "\ngetting node paths for leaf candidates.." ); PS_Candidate2NodeSetPairByLengthMap node_paths; PS_get_node_paths( leaf_candidates, node_paths ); printf( "%zu\n", node_paths.size() ); for ( PS_Candidate2NodeSetPairByLengthMap::const_iterator stored_path = node_paths.begin(); stored_path != node_paths.end(); ++stored_path ) { printf( "length (%3lu) candidate [%p] nodes (%3zu) ", stored_path->first, stored_path->second.first, stored_path->second.second.size() ); unsigned long sum = 0; for ( PS_NodeSet::const_iterator node = stored_path->second.second.begin(); node != stored_path->second.second.end(); ++node ) { sum += (*node)->countProbes(); } printf( "probes (%6lu)\n", sum ); fflush( stdout ); } // // eval node paths // printf( "\nevaluating node paths of leaf candidates..\n" ); float min_sum_of_square_distances_to_average; float average; PS_eval_node_paths( node_paths, min_sum_of_square_distances_to_average, average ); printf( " best candidate : average (%f) sum of square distances to average (%f)\n ", average, min_sum_of_square_distances_to_average ); node_paths.begin()->second.first->print(); // // remove probes with unwanted distance or length // printf( "\nremoving unwanted probes from best candidate..\n" ); set probe_lengths; PS_remove_bad_probes( node_paths.begin()->second.second, average, probe_lengths ); // // write out paths to probes // char *final_candidates_paths_filename = (char *)malloc( strlen(final_candidates_filename)+1+6 ); strcpy( final_candidates_paths_filename, final_candidates_filename ); strcat( final_candidates_paths_filename, ".paths" ); printf( "Writing final candidate's paths to '%s'..\n", final_candidates_paths_filename ); PS_FileBuffer *final_candidates_paths_file = new PS_FileBuffer( final_candidates_paths_filename, PS_FileBuffer::WRITEONLY ); PS_CandidatePtr c = node_paths.begin()->second.first; unsigned long min_temp = PS_calc_temp( *c->node->getProbesBegin() ); unsigned long max_temp = min_temp; // write count of paths final_candidates_paths_file->put_ulong( c->depth ); // write used probe lengths (informal) final_candidates_paths_file->put_uint( probe_lengths.size() ); printf( " probe lengths :" ); for ( set::iterator length = probe_lengths.begin(); length != probe_lengths.end(); ++length ) { final_candidates_paths_file->put_uint( *length ); printf( " %u", *length ); } printf( "\n" ); // write paths while (c && !c->node.Null()) { PS_ProbeSetCIter probe = c->node->getProbesBegin(); unsigned long temp = PS_calc_temp( *probe ); if (temp < min_temp) min_temp = temp; if (temp > max_temp) max_temp = temp; printf( "depth (%lu) candidate [%p] node [%p] probe (q_%+i__l_%2u__gc_%2u__temp_%3lu)\n", c->depth, c, &(*(c->node)), (*probe)->quality, (*probe)->length, (*probe)->GC_content, temp ); // write probe length final_candidates_paths_file->put_uint( (*probe)->length ); // write probe GC-content final_candidates_paths_file->put_uint( (*probe)->GC_content ); if ((*probe)->quality >= 0) { // write path length final_candidates_paths_file->put_uint( c->path.size() ); // write path for ( IDSetCIter id = c->path.begin(); id != c->path.end(); ++id ) { final_candidates_paths_file->put_int( *id ); } } else { // write inverse path length final_candidates_paths_file->put_uint( db->getSpeciesCount() - c->path.size() ); // write inverse path IDSetCIter path_it = c->path.begin(); SpeciesID path_id = *path_it; for ( SpeciesID id = db->getMinID(); id <= db->getMaxID(); ++id ) { if (id == path_id) { ++path_it; path_id = (path_it == c->path.end()) ? -1 : *path_it; continue; } final_candidates_paths_file->put_int( id ); } } // write dummy probe data for ( unsigned int i = 0; i < (*probe)->length; ++i ) { final_candidates_paths_file->put_char( '\x00' ); } c = c->parent; } // write probe lengths again // this set is used store remaining 'todo probe-lengths' final_candidates_paths_file->put_uint( probe_lengths.size() ); for ( set::iterator length = probe_lengths.begin(); length != probe_lengths.end(); ++length ) { final_candidates_paths_file->put_uint( *length ); } printf( " temperature range %lu..%lu\n", min_temp, max_temp ); free( final_candidates_paths_filename ); delete final_candidates_paths_file; // // clean up // printf( "cleaning up... candidates\n" ); fflush( stdout ); delete candidates_root; printf( "cleaning up... database\n" ); fflush( stdout ); delete db; return 0; } ./arbsrc_9167/PROBE_SET/ps_filebuffer.cxx0000644012664100000130000001405511440742777020102 0ustar arb_buildcoders #include "ps_filebuffer.hxx" using namespace std; void PS_FileBuffer::put( const void *_data, int _length ) { if (is_readonly) { fprintf( stderr, "sorry, i can't write to files opened readonly\n" ); *(int *)0 = 0; } if (_length > BUFFER_SIZE) { fprintf( stderr, "sorry, i can't write %i bytes at once, only %i\n",_length,BUFFER_SIZE ); *(int *)0 = 0; } if (_length == 0) return; if (size + _length < BUFFER_SIZE) { memcpy( &buffer[size], _data, _length ); size += _length; } else { flush(); memcpy( buffer,_data,_length ); size = _length; } } void PS_FileBuffer::get( void *_data, int _length ) { if (_length > BUFFER_SIZE) { fprintf( stderr, "sorry, i can't read %i bytes at once, only %i\n",_length,BUFFER_SIZE ); *(int *)0 = 0; } if (_length == 0) return; if (position + _length <= size) { memcpy( _data, &buffer[position], _length ); position += _length; } else { refill(); memcpy( _data,buffer,_length ); position = _length; } } void PS_FileBuffer::put_ulong( unsigned long int _ul ) { if (_ul <= 0x7F) { // bit7 == 0 -> 1 byte integer put_char( _ul ); } else if (_ul <= 0x3FFF) { put_char( (_ul>>8) | 0x80 ); // bit7==1 && bit6==0 -> 2 byte integer put_char( _ul & 0xFF ); } else if (_ul <= 0x1FFFFF) { put_char( (_ul>>16) | 0xC0 ); // bit7==1 && bit6==1 && bit5==0 -> 3 byte integer put_char( (_ul>>8) & 0xFF); put_char( _ul & 0xFF); } else if (_ul <= 0x0FFFFFFF) { put_char( (_ul>>24) | 0xE0 ); // bit7==1 && bit6==1 && bit5==1 && bit4==0 -> 4 byte integer put_char( (_ul>>16) & 0xFF ); put_char( (_ul>>8) & 0xFF ); put_char( _ul & 0xFF ); } else { // else -> 5 byte integer put_char( 0xF0 ); put_char( (_ul>>24) & 0xFF ); put_char( (_ul>>16) & 0xFF ); put_char( (_ul>>8) & 0xFF ); put_char( _ul & 0xFF ); } } void PS_FileBuffer::get_ulong( unsigned long int &_ul ) { unsigned char c; get_char(c); if ((c & 0x80) == 0) { // 1-byte _ul = c; } else { if ((c & 0xC0) == 0x80) { // 2-byte _ul = (unsigned long)(c & 0x3F) << 8; } else { if ((c & 0xE0) == 0xC0) { // 3-byte _ul = (unsigned long)(c & 0x1F) << 16; } else { if ((c & 0xF0) == 0xE0) { // 4-byte _ul = (unsigned long)(c & 0x0F) << 24; } else { get_char(c); _ul = (unsigned long)c << 24; } get_char(c); _ul = (unsigned long)c << 16; } get_char(c); _ul |= (unsigned long)c << 8; } get_char(c); _ul |= c; } } void PS_FileBuffer::peek( void *_data, int _length ) { if (_length > BUFFER_SIZE) { fprintf( stderr, "sorry, i can't read %i bytes at once, only %i\n",_length,BUFFER_SIZE ); *(int *)0 = 0; } if (position + _length <= size) { memcpy( _data, &buffer[position], _length ); } else { refill(); memcpy( _data,buffer,_length ); } } void PS_FileBuffer::flush() { ssize_t written = write( file_handle, buffer, size ); if (written != size) { fprintf( stderr, "failed to write %i bytes to file %s (total_write = %lu)\n",size,file_name,total_write ); *(int *)0 = 0; } total_write += written; size = 0; position = 0; } void PS_FileBuffer::refill() { // move unread data to start of buffer int unread = size-position; memcpy( buffer, &buffer[position], unread ); // read data from file ssize_t readen = read( file_handle, &buffer[size-position], BUFFER_SIZE-unread ); if (readen < 1) { fprintf( stderr, "failed to refill buffer from file %s (total_read = %lu)\n",file_name,total_read ); *(int *)0 = 0; } total_read += readen; size = unread+readen; position = 0; } void PS_FileBuffer::reinit( const char *_name, bool _readonly ) { // finish old file if (!is_readonly) flush(); if (file_name) free(file_name); if (file_handle != -1) close(file_handle); // init. file file_name = strdup(_name); is_readonly = _readonly; if (is_readonly) { file_flags = O_RDONLY; file_mode = 0; } else { file_flags = O_WRONLY | O_CREAT | O_EXCL; file_mode = S_IRUSR | S_IWUSR; } file_handle = open( file_name, file_flags, file_mode ); if (file_handle == -1) { if (_readonly) { fprintf( stderr, "failed to open file '%s' for reading\n",file_name ); } else { fprintf( stderr, "failed to create file '%s' for writing\nmaybe it already exists ?\n",file_name ); } *(int *)0 = 0; } // init. buffer clear(); // debug total_read = 0; total_write = 0; } PS_FileBuffer::PS_FileBuffer( const char *_name, bool _readonly ) { // init. file file_name = strdup(_name); is_readonly = _readonly; if (is_readonly) { file_flags = O_RDONLY; file_mode = 0; } else { file_flags = O_WRONLY | O_CREAT | O_EXCL; file_mode = S_IRUSR | S_IWUSR; } file_handle = open( file_name, file_flags, file_mode ); if (file_handle == -1) { if (_readonly) { fprintf( stderr, "failed to open file '%s' for reading\n",file_name ); } else { fprintf( stderr, "failed to create file '%s' for writing\nmaybe it already exists ?\n",file_name ); } *(int *)0 = 0; } // init. buffer size = 0; position = 0; buffer = (unsigned char *)malloc(BUFFER_SIZE); if (!buffer) { fprintf( stderr, "failed to allocate memory for buffer for file %s\n",file_name ); *(int *)0 = 0; } // debug total_read = 0; total_write = 0; } ./arbsrc_9167/PROBE_SET/ps_filebuffer.hxx0000644012664100000130000001014311440742777020101 0ustar arb_buildcoders#ifndef PS_FILEBUFFER_HXX #define PS_FILEBUFFER_HXX #include #include #include #include #include #include using namespace std; class PS_FileBuffer { private: // filehandling int file_handle; char *file_name; int file_flags; int file_mode; bool is_readonly; long file_pos; // bufferhandling unsigned char *buffer; int size; // how much is in buffer int position; // where am i in the buffer // debug unsigned long int total_read; unsigned long int total_write; PS_FileBuffer(); void refill(); // refill buffer from file public: static const bool READONLY = true; static const bool WRITEONLY = false; static const int BUFFER_SIZE = 4096; // // IO-functions // // raw void put ( const void *_data, int _length ); void get ( void *_data, int _length ); void peek( void *_data, int _length ); // read but don't advance position // char void put_char( unsigned char _c ) { if (is_readonly) { fprintf( stderr, "sorry, i can't write to files opened readonly\n" ); *(int *)0 = 0; } if (size+1 < BUFFER_SIZE) { buffer[size] = _c; ++size; } else { flush(); buffer[0] = _c; size = 1; } } void get_char( unsigned char &_c ) { if (position < size) { _c = buffer[position]; ++position; } else { refill(); _c = buffer[0]; position = 1; } } unsigned char get_char() { if (position < size) { return buffer[position++]; } else { refill(); position = 1; return buffer[0]; } } // long void put_ulong( unsigned long int _ul ); void get_ulong( unsigned long int &_ul ); void put_long( long int _l ) { unsigned long int ul; if (_l < 0) { ul = (-_l << 1) | 1; } else { ul = _l << 1; } put_ulong( ul ); } void get_long( long int &_l ) { unsigned long int ul; get_ulong( ul ); if (ul & 1) { _l = -(long)(ul >> 1); } else { _l = ul >> 1; } } // int void put_uint( unsigned int _ui ) { put_ulong( _ui ); } void get_uint( unsigned int &_ui ) { unsigned long int ul; get_ulong( ul ); _ui=(unsigned int)ul; } void put_int( int _i ) { put_long( _i ); } void get_int( int &_i ) { long int l; get_long( l ); _i=(int)l; } // // utility-functions // bool store_pos() { if (!is_readonly) return false; // cannot jump in a writeable file file_pos = lseek( file_handle, 0, SEEK_CUR ); return (file_pos >= 0); } bool restore_pos() { if (!is_readonly) return false; // cannot jump in a writeable file if (file_pos < 0) return false; if (lseek( file_handle, file_pos, SEEK_SET ) < 0) return false; size = 0; position = 0; refill(); return true; } bool empty() { if (size == 0) return true; return (position < size); } void clear() { // 'clear' buffer size = 0; position = 0; } bool isReadonly() { return is_readonly; } void flush(); // write buffer to file // // initialization-functions // void reinit( const char *name, bool _readonly ); // reinit. with new file PS_FileBuffer( const char *_name, bool _readonly ); ~PS_FileBuffer() { // finish file if (!is_readonly) flush(); if (file_name) free(file_name); if (file_handle != -1) close(file_handle); // finish buffer if (buffer) free(buffer); } }; #else #error ps_filebuffer.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_find_probes.cxx0000644012664100000130000015240011440742777020260 0ustar arb_buildcoders#include #include #include #include #include #include #include "ps_tools.hxx" #include "ps_database.hxx" #include "ps_bitmap.hxx" #include "ps_candidate.hxx" using namespace std; template void PS_print_set_ranges( const char *_set_name, const set &_set, const bool _cr_at_end = true ) { fflush( stdout ); printf( "%s size (%3zu) : ", _set_name, _set.size() ); if (_set.size() == 0) { printf( "(empty)" ); } else { typename set::const_iterator range_begin = _set.begin(); typename set::const_iterator range_end = range_begin; typename set::const_iterator it = _set.begin(); for ( ++it; it != _set.end(); ++it ) { if (*it == (*range_end)+1) { range_end = it; } else { if (range_end == range_begin) { cout << *range_begin << " "; } else { cout << *range_begin << "-" << *range_end << " "; } range_begin = it; range_end = it; } } cout << *range_begin; if (range_end != range_begin) cout << "-" << *range_end; } if (_cr_at_end) cout << "\n"; fflush( stdout ); } template void PS_print_map_ranges( const char *_map_name, const map &_map, const bool _compare_keys = true, const bool _cr_at_end = true ) { fflush( stdout ); if (_map.size() == 0) { printf( "%s size ( 0) : (empty)", _map_name ); } else { if (_compare_keys) { printf( "%s size (%3i) : ", _map_name, _map.size() ); typename map::const_iterator range_begin = _map.begin(); typename map::const_iterator range_end = range_begin; typename map::const_iterator it = _map.begin(); for ( ++it; it != _map.end(); ++it ) { if (it->first == range_end->first+1) { range_end = it; } else { if (range_end == range_begin) { cout << "(" << range_begin->first << "," << range_begin->second << ") "; } else { cout << "(" << range_begin->first << "-" << range_end->first << "," << range_begin->second << ") "; } range_begin = it; range_end = it; } } if (range_end == range_begin) { cout << "(" << range_begin->first << "," << range_begin->second << ") "; } else { cout << "(" << range_begin->first << "-" << range_end->first << "," << range_begin->second << ") "; } } else { map > > value2indices; map value2count; pair range; range.first = _map.begin()->first; range.second = range.first; T2 cur_value = _map.begin()->second; typename map::const_iterator it = _map.begin(); for ( ++it; it != _map.end(); ++it ) { if (it->second == cur_value) { if (it->first == range.second+1) { range.second = it->first; } else { value2indices[ cur_value ].insert( range ); value2count[ cur_value ] += range.second - range.first +1; range.first = it->first; range.second = it->first; } } else { value2indices[ cur_value ].insert( range ); value2count[ cur_value ] += range.second - range.first +1; range.first = it->first; range.second = it->first; cur_value = it->second; } } value2indices[ cur_value ].insert( range ); value2count[ cur_value ] += range.second - range.first +1; for ( typename map > >::const_iterator value = value2indices.begin(); value != value2indices.end(); ++value ) { if (value != value2indices.begin()) cout << "\n"; printf( "%s size (%3i) : value (", _map_name, _map.size() ); cout << value->first << ") count (" << value2count[ value->first ] << ") ["; for ( typename set >::const_iterator indices = value->second.begin(); indices != value->second.end(); ++indices ) { if (indices != value->second.begin()) cout << " "; cout << indices->first; if (indices->first != indices->second) cout << "-" << indices->second; } cout << "]," << value->first << ")"; } } } if (_cr_at_end) cout << "\n"; fflush( stdout ); } // // common globals // bool __VERBOSE = false; SpeciesID __MAX_ID; SpeciesID __MIN_ID; SpeciesID __SPECIES_COUNT; unsigned long __BITS_IN_MAP; PS_BitMap_Counted *__MAP; PS_BitMap_Counted *__PRESET_MAP; IDSet __SOURCE_ID_SET; PS_BitSet::IndexSet __TARGET_ID_SET; // // globals for PS_calc_next_speciesid_sets, // PS_calc_next_speciesid_sets_for_candidate // // count of trues for a source_id may be max 5% // (of the difference between __SPECIES_COUNT and the lowest // count of trues per species) higher than the lowest count // of trues for the species in __SOURCE_ID_SET #define __TRESHOLD_PERCENTAGE_NEXT_SOURCE_ID_SET 5 // target_id must be at least in 95% of total target_id_sets // to be in __TARGET_ID_SET #define __TRESHOLD_PERCENTAGE_NEXT_TARGET_ID_SET 95 SpeciesID __MIN_SETS_ID; SpeciesID __MAX_SETS_ID; // // globals for PS_find_probes // // initially a probe must match 40-60% of species // in the ID-sets to be a candidate // if PS_find_probes fails to find candidates within this range // it is repeated with a broadened range (by 5% each border) #define __MIN_PERCENTAGE_SET_MATCH 40 #define __MAX_PERCENTAGE_SET_MATCH 60 float __SOURCE_MIN_MATCH_COUNT; float __SOURCE_MAX_MATCH_COUNT; float __TARGET_MIN_MATCH_COUNT; float __TARGET_MAX_MATCH_COUNT; float __SOURCE_PERFECT_MATCH_COUNT; float __TARGET_PERFECT_MATCH_COUNT; unsigned long __PROBES_COUNTER; unsigned long __PROBES_REMOVED; PS_CandidatePtr __CANDIDATES_ROOT; unsigned long __CANDIDATES_COUNTER; unsigned long __CANDIDATES_TODO; unsigned long __CANDIDATES_FINISHED; unsigned long __MAX_DEPTH; // // globals for PS_find_probe_for_sets // PS_test_candidate_on_bitmap // IDSet __PATH; // // globals for PS_descend // char *__PATH_IN_CANDIDATES; unsigned long int PS_test_candidate_on_bitmap( float *_filling_level = 0, PS_BitMap_Counted *_map = 0 ) { // returns number of locations in __MAP that would be switched // from false to true by __PATH // iterate over all IDs except path IDSetCIter path_iter = __PATH.begin(); SpeciesID next_path_ID = *path_iter; unsigned long int gain = 0; if (_map) { for ( SpeciesID not_in_path_ID = __MIN_ID; not_in_path_ID <= __MAX_ID; ++not_in_path_ID) { if (not_in_path_ID == next_path_ID) { // if i run into a ID in path ++path_iter; // advance to next path ID next_path_ID = (path_iter == __PATH.end()) ? -1 : *path_iter; continue; // skip this ID } // iterate over path IDs for ( IDSetCIter path_ID = __PATH.begin(); path_ID != __PATH.end(); ++path_ID) { if (not_in_path_ID == *path_ID) continue; // obviously a probe cant differ a species from itself if (not_in_path_ID > *path_ID) { gain += (_map->get( not_in_path_ID, *path_ID ) == false); } else { gain += (_map->get( *path_ID, not_in_path_ID ) == false); } } } } else { for ( SpeciesID not_in_path_ID = __MIN_ID; not_in_path_ID <= __MAX_ID; ++not_in_path_ID) { if (not_in_path_ID == next_path_ID) { // if i run into a ID in path ++path_iter; // advance to next path ID next_path_ID = (path_iter == __PATH.end()) ? -1 : *path_iter; continue; // skip this ID } // iterate over path IDs for ( IDSetCIter path_ID = __PATH.begin(); path_ID != __PATH.end(); ++path_ID) { if (not_in_path_ID == *path_ID) continue; // obviously a probe cant differ a species from itself if (not_in_path_ID > *path_ID) { gain += (__MAP->get( not_in_path_ID, *path_ID ) == false); } else { gain += (__MAP->get( *path_ID, not_in_path_ID ) == false); } } } } if (_filling_level) { unsigned long int trues = (_map) ? _map->getCountOfTrues() + gain : __MAP->getCountOfTrues() + gain; *_filling_level = ((float)trues / __BITS_IN_MAP)*100.0; } return gain; } bool PS_test_sets_on_path( float &_distance ) { long count_matched_source = 0; long count_matched_target = 0; SpeciesID path_id; IDSetCIter path_end = __PATH.end(); IDSetCIter path = __PATH.begin(); IDSetCIter source_end = __SOURCE_ID_SET.end(); IDSetCIter source = __SOURCE_ID_SET.begin(); PS_BitSet::IndexSet::const_iterator target_end = __TARGET_ID_SET.end(); PS_BitSet::IndexSet::const_iterator target = __TARGET_ID_SET.begin(); while (path != path_end) { path_id = *path; while ((*target < path_id) && (target != target_end)) { ++target; } if ((target != target_end) && (*target == path_id)) ++count_matched_target; while ((*source < path_id) && (source != source_end)) { ++source; } if ((source != source_end) && (*source == path_id)) ++count_matched_source; ++path; } if ((count_matched_source > __SOURCE_MIN_MATCH_COUNT) && (count_matched_source < __SOURCE_MAX_MATCH_COUNT) && (count_matched_target > __TARGET_MIN_MATCH_COUNT) && (count_matched_target < __TARGET_MAX_MATCH_COUNT)) { _distance = fabs( __SOURCE_PERFECT_MATCH_COUNT - count_matched_source ) + fabs( __TARGET_PERFECT_MATCH_COUNT - count_matched_target ); return true; } return false; } void PS_find_probe_for_sets( const PS_NodePtr _ps_node, PS_CandidatePtr _candidate_parent ) { // scan subtree starting with _ps_node for candidates SpeciesID id = _ps_node->getNum(); bool has_probes = _ps_node->hasProbes(); // // append ID to path // __PATH.insert( id ); // // dont look at path until ID is greater than lowest ID in the sets of IDs // also dont use a node if its already used as candidate // if ((id >= __MIN_SETS_ID) && has_probes && !_candidate_parent->alreadyUsedNode(_ps_node)) { ++__PROBES_COUNTER; if (__VERBOSE && (__PROBES_COUNTER % 100 == 0)) printf( "%8lup %8luc\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b", __PROBES_COUNTER, __CANDIDATES_COUNTER ); fflush( stdout ); // make intersections of __PATH with __SOURCE_ID_SET and __TARGET_ID_SET float distance_to_perfect_match; if (PS_test_sets_on_path( distance_to_perfect_match )) { unsigned long gain = PS_test_candidate_on_bitmap(); // no -> calc gain and make new candidate node int status = (gain < (unsigned)__SPECIES_COUNT / 100) ? 0 : _candidate_parent->addChild( static_cast(distance_to_perfect_match), gain, _ps_node, __PATH ); if (status > 0) { if (status == 2) { // printf( " PS_find_probe_for_sets() : new candidate: count_matched_source (%li/%.0f) count_matched_target (%li/%.0f) distance (%4.0f) path (%i) gain (%li) node (%p)\n", // count_matched_source, __SOURCE_PERFECT_MATCH_COUNT, // count_matched_target, __TARGET_PERFECT_MATCH_COUNT, // distance_to_perfect_match, // __PATH.size(), gain, &(*_ps_node) ); ++__CANDIDATES_COUNTER; if (__VERBOSE) printf( "%8lup %8luc\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b", __PROBES_COUNTER, __CANDIDATES_COUNTER ); fflush( stdout ); // } else { // printf( " PS_find_probe_for_sets() : upd candidate: count_matched_source (%li/%.0f) count_matched_target (%li/%.0f) distance (%4.0f) path (%i) gain (%li) node (%p)\n", // count_matched_source, __SOURCE_PERFECT_MATCH_COUNT, // count_matched_target, __TARGET_PERFECT_MATCH_COUNT, // distance_to_perfect_match, // __PATH.size(), gain, &(*_ps_node) ); } fflush( stdout ); } // if status (of addChild) } } // // step down the children if either ID is lower than highest // ID in the set of ID-pairs or the node has no probes // if ((id < __MAX_SETS_ID) || (! has_probes)) { for ( PS_NodeMapConstIterator i = _ps_node->getChildrenBegin(); i != _ps_node->getChildrenEnd(); ++i) { PS_find_probe_for_sets( i->second, _candidate_parent ); } } // // remove ID from path // __PATH.erase( id ); } void PS_find_probes( const PS_NodePtr _root_node, const int _round, PS_CandidatePtr _candidate_parent, const float _filling_level ) { // scan PS_Node-tree for candidates to raise filling level of __MAP __PROBES_COUNTER = 0; __CANDIDATES_COUNTER = 0; __SOURCE_MIN_MATCH_COUNT = (__SOURCE_ID_SET.size() * (__MIN_PERCENTAGE_SET_MATCH - (_round * 5))) / 100.0; __SOURCE_MAX_MATCH_COUNT = (__SOURCE_ID_SET.size() * (__MAX_PERCENTAGE_SET_MATCH + (_round * 5))) / 100.0; __TARGET_MIN_MATCH_COUNT = (__TARGET_ID_SET.size() * (__MIN_PERCENTAGE_SET_MATCH - (_round * 5))) / 100.0; __TARGET_MAX_MATCH_COUNT = (__TARGET_ID_SET.size() * (__MAX_PERCENTAGE_SET_MATCH + (_round * 5))) / 100.0; __SOURCE_PERFECT_MATCH_COUNT = __SOURCE_ID_SET.size() / 2.0; __TARGET_PERFECT_MATCH_COUNT = __TARGET_ID_SET.size() / 2.0; __MIN_SETS_ID = (*__SOURCE_ID_SET.begin() < *__TARGET_ID_SET.begin()) ? *__SOURCE_ID_SET.begin() : *__TARGET_ID_SET.begin(); __MAX_SETS_ID = (*__SOURCE_ID_SET.rbegin() < *__TARGET_ID_SET.rbegin()) ? *__SOURCE_ID_SET.rbegin() : *__TARGET_ID_SET.rbegin(); printf( "PS_find_probes(%i) : source match %10.3f .. %10.3f target match %10.3f .. %10.3f\n", _round, __SOURCE_MIN_MATCH_COUNT, __SOURCE_MAX_MATCH_COUNT, __TARGET_MIN_MATCH_COUNT, __TARGET_MAX_MATCH_COUNT ); fflush( stdout ); // int c = 0; struct tms before; times( &before ); for ( PS_NodeMapConstIterator i = _root_node->getChildrenBegin(); (i != _root_node->getChildrenEnd()) && (i->first < __MAX_SETS_ID); ++i/*,++c*/ ) { //if (c % 100 == 0) printf( "PS_find_probe_for_sets( %i ) : %i/%i 1st level nodes -> %li/%li candidates of %li probes looked at\n", i->first, c+1, _root_node->countChildren(), __CANDIDATES_COUNTER, __CANDIDATES_TOTAL_COUNTER, __PROBES_TOTAL_COUNTER ); __PATH.clear(); PS_find_probe_for_sets( i->second, _candidate_parent ); } printf( "PS_find_probes(%i) : %li candidates of %li probes visited ", _round, __CANDIDATES_COUNTER, __PROBES_COUNTER ); PS_print_time_diff( &before ); // reduce candidates to best,worst and middle gain _candidate_parent->reduceChildren( _filling_level ); for ( PS_CandidateByGainMapCIter c = _candidate_parent->children.begin(); c != _candidate_parent->children.end(); ++c ) { printf( "PS_find_probes(%i) : ", _round ); c->second->print(); ++__CANDIDATES_TODO; } fflush( stdout ); } void PS_calc_next_speciesid_sets() { // scan __MAP to find sets of IDs that need differentiation most // // 1. __SOURCE_ID_SET // scan bitmap for species that need more matches // SpeciesID highest_count; SpeciesID lowest_count; float treshold; SpeciesID count; // first pass -- get lowest count of trues and calc treshold lowest_count = __SPECIES_COUNT; highest_count = 0; for ( SpeciesID id = __MIN_ID; id <= __MAX_ID; ++id) { count = __MAP->getCountFor( id ); if (count == __SPECIES_COUNT-__MIN_ID-1) continue; // i cannot improve species that can be differed from all others if (count > highest_count) highest_count = count; if (count < lowest_count) lowest_count = count; } treshold = ( ((__SPECIES_COUNT-lowest_count) * __TRESHOLD_PERCENTAGE_NEXT_SOURCE_ID_SET) / 100.0 ) + lowest_count; printf( "PS_calc_next_speciesid_sets() : SOURCE count 1's [%i..%i] treshold (%.3f)", lowest_count, highest_count, treshold ); // second pass -- get IDs where count is below or equal treshold __SOURCE_ID_SET.clear(); for ( SpeciesID id = __MIN_ID; id <= __MAX_ID; ++id) { if (__MAP->getCountFor( id ) <= treshold) __SOURCE_ID_SET.insert( id ); } PS_print_set_ranges( " __SOURCE_ID_SET", __SOURCE_ID_SET ); // // 2. __TARGET_ID_SET // scan bitmap for species IDs that need to be distinguished from MOST species in __SOURCE_ID_SET // ID2IDMap count_falses_per_id; // first -- get the IDs that need differentiation from __SOURCE_ID_SET unsigned long count_iterations = 0; for ( IDSetCIter source_id = __SOURCE_ID_SET.begin(); source_id != __SOURCE_ID_SET.end(); ++source_id,++count_iterations ) { //if (count_iterations % 100 == 0) printf( "PS_calc_next_speciesid_sets() : set #%li of %i\n", count_iterations+1, __SOURCE_ID_SET.size() ); // get 'next_target_set' __MAP->getFalseIndicesFor( *source_id, __TARGET_ID_SET ); // count falses per SpeciesID for ( PS_BitSet::IndexSet::iterator target_id = __TARGET_ID_SET.begin(); target_id != __TARGET_ID_SET.end(); ++target_id) { if ((*target_id < __MIN_ID) || (*target_id > __MAX_ID)) continue; // skip ID's that are outside DB-IDs-range (like zero if __MIN_ID is one) if (*target_id != *source_id) ++count_falses_per_id[ *target_id ]; } } //PS_print_map_ranges( "PS_calc_next_speciesid_sets() : count_falses_per_id", count_falses_per_id, false ); // second -- get highest count of falses and calc treshold lowest_count = __SPECIES_COUNT; highest_count = 0; for ( ID2IDMapCIter count_per_id = count_falses_per_id.begin(); count_per_id != count_falses_per_id.end(); ++count_per_id ) { if (count_per_id->second > highest_count) highest_count = count_per_id->second; if (count_per_id->second < lowest_count) lowest_count = count_per_id->second; } printf( "PS_calc_next_speciesid_sets() : TARGET count 0's [%i..%i]", lowest_count, highest_count ); // third -- put all IDs in __TARGET_ID_SET that are needed most by species from __SOURCE_ID_SET __TARGET_ID_SET.clear(); for ( ID2IDMapCIter count_per_id = count_falses_per_id.begin(); count_per_id != count_falses_per_id.end(); ++count_per_id ) { if (count_per_id->second == highest_count) __TARGET_ID_SET.insert( count_per_id->first ); } PS_print_set_ranges( " __TARGET_ID_SET", __TARGET_ID_SET ); } void PS_apply_path_to_bitmap( IDSet &_path, const bool _silent = false, PS_BitMap_Counted *_map = 0 ) { // set true in __MAP for all combinations of IDs (in _path , not in _path) // iterate over all IDs except path IDSetCIter path_iter = _path.begin(); SpeciesID next_path_ID = *path_iter; unsigned long int gain = 0; if (_map) { // called for a 'private' map ? for ( SpeciesID not_in_path_ID = __MIN_ID; not_in_path_ID <= __MAX_ID; ++not_in_path_ID) { if (not_in_path_ID == next_path_ID) { // if i run into a ID in path ++path_iter; // advance to next path ID next_path_ID = (path_iter == _path.end()) ? -1 : *path_iter; continue; // skip this ID } // iterate over path IDs for ( IDSetCIter path_ID = _path.begin(); path_ID != _path.end(); ++path_ID) { if (not_in_path_ID == *path_ID) continue; // obviously a probe cant differ a species from itself if (not_in_path_ID > *path_ID) { gain += (_map->set( not_in_path_ID, *path_ID, true ) == false); } else { gain += (_map->set( *path_ID, not_in_path_ID, true ) == false); } } } } else { // called for __MAP for ( SpeciesID not_in_path_ID = __MIN_ID; not_in_path_ID <= __MAX_ID; ++not_in_path_ID) { if (not_in_path_ID == next_path_ID) { // if i run into a ID in path ++path_iter; // advance to next path ID next_path_ID = (path_iter == _path.end()) ? -1 : *path_iter; continue; // skip this ID } // iterate over path IDs for ( IDSetCIter path_ID = _path.begin(); path_ID != _path.end(); ++path_ID) { if (not_in_path_ID == *path_ID) continue; // obviously a probe cant differ a species from itself if (not_in_path_ID > *path_ID) { gain += (__MAP->set( not_in_path_ID, *path_ID, true ) == false); } else { gain += (__MAP->set( *path_ID, not_in_path_ID, true ) == false); } } } } unsigned long int sets = (__SPECIES_COUNT-_path.size())*_path.size(); if (!_silent) printf( "PS_apply_path_to_bitmap() : gain %lu of %lu -- %.2f%% -> wasted %lu\n", gain, sets, ((float)gain/sets)*100.0, sets-gain ); //__MAP->recalcCounters(); } float PS_filling_level( PS_CandidatePtr _candidate = 0 ) { // returns filling level of __MAP unsigned long trues = __MAP->getCountOfTrues(); float percentage = ((float)trues / __BITS_IN_MAP)*100.0; if (_candidate) { _candidate->filling_level = percentage; _candidate->false_IDs = __BITS_IN_MAP - trues; } else { printf( "PS_filling_level() : bitmap (%lu) now has %lu trues and %lu falses -- %.5f%% filled\n", __BITS_IN_MAP, trues, __BITS_IN_MAP-trues, percentage ); } return percentage; } void PS_GNUPlot( const char *_out_prefix, const long _iteration, const IDSet &_path, const ID2IDSet &_noMatches ) { // generate data- and commandfiles for GNUPlot to display __MAP and its count_trues_per_id char *buffer = (char *)malloc( 4096 ); // open data file sprintf( buffer, "%s.%06li", _out_prefix, _iteration ); char *data_name = strdup( buffer ); PS_FileBuffer *file = new PS_FileBuffer( data_name, PS_FileBuffer::WRITEONLY ); // output data long size = sprintf( buffer, "# CANDIDATE #%li path (%zu)\n", _iteration, _path.size() ); file->put( buffer, size ); for ( IDSetCIter i = _path.begin(); i != _path.end(); ++i ) { size = sprintf( buffer, "# %i\n", *i ); file->put( buffer, size ); } size = sprintf( buffer, "#noMatches (%zu)\n", _noMatches.size() ); file->put( buffer, size ); for ( ID2IDSetCIter p = _noMatches.begin(); p != _noMatches.end(); ++p ) { size = sprintf( buffer, "%i %i\n", p->first, p->second ); file->put( buffer, size ); } size = sprintf( buffer, "\n\n" ); file->put( buffer, size ); sprintf( buffer, "Bitmap after %li. candidate", _iteration ); char *title = strdup( buffer ); __MAP->printGNUplot( title, buffer, file ); // open gnuplot command file sprintf( buffer, "%s.%06li.gnuplot", _out_prefix, _iteration ); file->reinit( buffer, PS_FileBuffer::WRITEONLY ); // output gnuplot commands size = sprintf( buffer, "set terminal png color\nset output '%06li.bitmap.png\n", _iteration ); file->put( buffer, size ); size = sprintf( buffer, "set yrange [%i:%i] reverse\nset xrange [%i:%i]\n", __MIN_ID,__MAX_ID,__MIN_ID,__MAX_ID ); file->put( buffer, size ); size = sprintf( buffer, "set size square\nset title '%li. iteration'\nset pointsize 0.5\n", _iteration ); file->put( buffer, size ); size = sprintf( buffer, "plot '%s' index 1 title 'match ()' with dots 2,'%s' index 0 title 'no match (30)' with points 1\n", data_name, data_name ); file->put( buffer, size ); size = sprintf( buffer, "set terminal png color\nset output '%06li.counters.png\n", _iteration ); file->put( buffer, size ); size = sprintf( buffer, "set yrange [] noreverse\nset size nosquare\n" ); file->put( buffer, size ); size = sprintf( buffer, "plot '%s' index 2 title 'count/species' with impulses 2,'%s' index 3 title 'species/count' with points 1", data_name, data_name ); file->put( buffer, size ); delete file; free( title ); free( data_name ); free( buffer ); } PS_CandidatePtr PS_ascend( PS_CandidatePtr _last_candidate ) { // 'remove' _last_candidate from __MAP by applying its parent's // paths to a fresh __MAP // // make fresh __MAP // __MAP->copy( __PRESET_MAP ); // // apply paths of parent-candidates to __MAP // PS_CandidatePtr parent = _last_candidate->parent; while ((parent != 0) && (parent->path.size() > 0)) { PS_apply_path_to_bitmap( parent->path, true ); parent = parent->parent; } printf( "ASCEND " ); PS_filling_level(); // // return the parent of the given candidate // return _last_candidate->parent; } void PS_descend( PS_CandidatePtr _candidate_parent, const PS_NodePtr _root_node, unsigned long _depth, const float _filling_level ) { struct tms before; times( &before ); printf( "\nDESCEND ==================== depth (%lu / %lu) candidates (%lu / %lu -> %lu left) ====================\n", _depth, __MAX_DEPTH, __CANDIDATES_FINISHED, __CANDIDATES_TODO, __CANDIDATES_TODO-__CANDIDATES_FINISHED ); fflush( stdout ); printf( "DESCEND PATH : (%s)\n\n", __PATH_IN_CANDIDATES ); // // calc source- and target-set of IDs // PS_calc_next_speciesid_sets(); printf( "\nDESCEND ---------- calculated next speciesid-sets ----------\n\n" ); fflush( stdout ); // // search for candidates to improve filling level of __MAP using the source- and target-set of IDs // max. 3 rounds // int round = 0; for (; (round < 3) && (_candidate_parent->children.size() == 0); ++round) { PS_find_probes( _root_node, round, _candidate_parent, _filling_level ); } printf( "\nDESCEND ---------- searched probe for speciesid-sets [rounds : %i] candidates (%lu / %lu -> %lu left) ----------\n\n", round, __CANDIDATES_FINISHED, __CANDIDATES_TODO, __CANDIDATES_TODO-__CANDIDATES_FINISHED ); fflush( stdout ); // // descend down each (of the max 3) candidate(s) // char count = '0'+_candidate_parent->children.size(); for ( PS_CandidateByGainMapRIter next_candidate_it = _candidate_parent->children.rbegin(); next_candidate_it != _candidate_parent->children.rend(); ++next_candidate_it, --count ) { PS_CandidatePtr next_candidate = &(*next_candidate_it->second); ++__CANDIDATES_FINISHED; // // apply candidate to __MAP // printf( "[%p] ", next_candidate ); PS_apply_path_to_bitmap( next_candidate->path ); printf( "[%p] ", next_candidate ); PS_filling_level( next_candidate ); next_candidate->depth = _depth+1; next_candidate->print( 0,false,false ); // // step down // if ((next_candidate->filling_level < 75.0) && (_depth+1 < __MAX_DEPTH)) { __PATH_IN_CANDIDATES[ _depth ] = count; __PATH_IN_CANDIDATES[ _depth+1 ] = '\x00'; PS_descend( next_candidate, _root_node, _depth+1, next_candidate->filling_level ); } // // remove candidate from __MAP // PS_ascend( next_candidate ); } printf( "\nDESCEND ~~~~~~~~~~~~~~~~~~~~ depth (%li) max depth (%li) candidates (%lu / %lu -> %lu left) ~~~~~~~~~~~~~~~~~~~~ ", _depth, __MAX_DEPTH, __CANDIDATES_FINISHED, __CANDIDATES_TODO, __CANDIDATES_TODO-__CANDIDATES_FINISHED ); PS_print_time_diff( &before ); printf( "\n" ); fflush( stdout ); } void PS_make_map_for_candidate( PS_CandidatePtr _candidate ) { // make __MAP for _candidate if (_candidate->map) return; // if candidate already has its map return _candidate->map = new PS_BitMap_Counted( false, __MAX_ID+1 ); _candidate->map->copy( __PRESET_MAP ); PS_apply_path_to_bitmap( _candidate->path, true, _candidate->map ); // apply _candidate's path PS_CandidatePtr parent = _candidate->parent; while ((parent != 0) && (parent->path.size() > 0)) { // apply parent's paths PS_apply_path_to_bitmap( parent->path, true, _candidate->map ); parent = parent->parent; } } // void PS_calc_next_speciesid_sets_for_candidate( PS_CandidatePtr _candidate ) { // make __MAP for _candidate and search for best source/target-sets // // // // 1. __MAP for _candidate // // // PS_make_map_for_candidate( _candidate ); // // // // 2. __SOURCE_ID_SET // // scan bitmap for species that need more matches // // // SpeciesID highest_count; // SpeciesID lowest_count; // SpeciesID count; // // first pass -- get lowest/highest count of trues // lowest_count = __SPECIES_COUNT; // highest_count = 0; // for ( SpeciesID id = __MIN_ID; // id <= __MAX_ID; // ++id) { // count = _candidate->map->getCountFor( id ); // if (count == __SPECIES_COUNT-__MIN_ID-1) continue; // i cannot improve species that can be differed from all others // if (count < lowest_count) lowest_count = count; // if (count > highest_count) highest_count = count; // } // //printf( "PS_calc_next_speciesid_sets_for_candidate() : SOURCE count 1's [%i..%i]\n", lowest_count, highest_count ); // // second pass -- get IDs where count is equal to lowest_count or highest_count // IDSet highest_count_src_ids; // IDSet lowest_count_src_ids; // for ( SpeciesID id = __MIN_ID; // id <= __MAX_ID; // ++id) { // count = _candidate->map->getCountFor( id ); // if (count == lowest_count) lowest_count_src_ids.insert( id ); // if (count == highest_count) highest_count_src_ids.insert( id ); // } // if (_candidate->source_set) { // _candidate->source_set->clear(); // _candidate->source_set->insert( lowest_count_src_ids.begin(), lowest_count_src_ids.end() ); // } else { // _candidate->source_set = new IDSet( lowest_count_src_ids ); // } // _candidate->source_set->insert( highest_count_src_ids.begin(), highest_count_src_ids.end() ); // //PS_print_set_ranges( " lowest_count_src_ids", lowest_count_src_ids ); // //PS_print_set_ranges( " highest_count_src_ids", highest_count_src_ids ); // if (*(_candidate->source_set->begin()) < __MIN_SETS_ID) __MIN_SETS_ID = *(_candidate->source_set->begin()); // if (*(_candidate->source_set->rbegin()) > __MAX_SETS_ID) __MAX_SETS_ID = *(_candidate->source_set->rbegin()); // // // // 3. __TARGET_ID_SET // // scan bitmap for species IDs that need to be distinguished from MOST species in lowest_count_src_ids // // // ID2IDMap count_falses_per_id; // // first -- get the IDs that need differentiation from __SOURCE_ID_SET // for ( IDSetCIter source_id = lowest_count_src_ids.begin(); // source_id != lowest_count_src_ids.end(); // ++source_id ) { // // get 'next_target_set' // _candidate->map->getFalseIndicesFor( *source_id, __TARGET_ID_SET ); // // count falses per SpeciesID // for ( PS_BitSet::IndexSet::iterator target_id = __TARGET_ID_SET.begin(); // target_id != __TARGET_ID_SET.end(); // ++target_id) { // if ((*target_id < __MIN_ID) || (*target_id > __MAX_ID)) continue; // skip ID's that are outside DB-IDs-range (like zero if __MIN_ID is one) // if (*target_id != *source_id) ++count_falses_per_id[ *target_id ]; // } // } // //printf( "\n" ); // //PS_print_map_ranges( "PS_calc_next_speciesid_sets_for_candidate() : count_falses_per_id", count_falses_per_id, false ); // // second -- get highest count of falses and calc treshold // lowest_count = __SPECIES_COUNT; // highest_count = 0; // for ( ID2IDMapCIter count_per_id = count_falses_per_id.begin(); // count_per_id != count_falses_per_id.end(); // ++count_per_id ) { // if (count_per_id->second > highest_count) highest_count = count_per_id->second; // if (count_per_id->second < lowest_count) lowest_count = count_per_id->second; // } // //printf( "PS_calc_next_speciesid_sets_for_candidate() : TARGET count 0's [%i..%i]\n", lowest_count, highest_count ); // // third -- put all IDs in __TARGET_ID_SET that are needed most by species from lowest_count_src_ids // if (_candidate->target_set) { // _candidate->target_set->clear(); // } else { // _candidate->target_set = new IDSet(); // } // __TARGET_ID_SET.clear(); // for ( ID2IDMapCIter count_per_id = count_falses_per_id.begin(); // count_per_id != count_falses_per_id.end(); // ++count_per_id ) { // if (count_per_id->second == highest_count) __TARGET_ID_SET.insert( count_per_id->first ); // } // //PS_print_set_ranges( " target_set (by lowest count of trues) ", __TARGET_ID_SET ); // _candidate->target_set->insert( __TARGET_ID_SET.begin(), __TARGET_ID_SET.end() ); // // fourth -- put all IDs in __TARGET_ID_SET that are needed by species from highest_count_src_ids // PS_BitSet::IndexSet next_target_ids; // __TARGET_ID_SET.clear(); // for ( IDSetCIter source_id = highest_count_src_ids.begin(); // source_id != highest_count_src_ids.end(); // ++source_id ) { // // get next target-IDs // _candidate->map->getFalseIndicesFor( *source_id, next_target_ids ); // // 'append' target-IDs // for ( PS_BitSet::IndexSet::iterator target_id = next_target_ids.begin(); // target_id != next_target_ids.end(); // ++target_id) { // if ((*target_id < __MIN_ID) || (*target_id > __MAX_ID)) continue; // skip ID's that are outside DB-IDs-range (like zero if __MIN_ID is one) // if (*target_id != *source_id) __TARGET_ID_SET.insert( *target_id ); // } // } // //PS_print_set_ranges( " target_set (by highest count of trues)", __TARGET_ID_SET ); // _candidate->target_set->insert( __TARGET_ID_SET.begin(), __TARGET_ID_SET.end() ); // if (*(__TARGET_ID_SET.begin()) < __MIN_SETS_ID) __MIN_SETS_ID = *(__TARGET_ID_SET.begin()); // if (*(__TARGET_ID_SET.rbegin()) > __MAX_SETS_ID) __MAX_SETS_ID = *(__TARGET_ID_SET.rbegin()); // //printf( "\n" ); fflush( stdout ); // } void PS_get_leaf_candidates( PS_CandidatePtr _candidate_parent, PS_CandidateSet &_leaf_candidates, const bool _ignore_passes_left = false ) { for ( PS_CandidateByGainMapIter next_candidate = _candidate_parent->children.begin(); next_candidate != _candidate_parent->children.end(); ++next_candidate ) { if ((next_candidate->second->children.size() == 0) && ((next_candidate->second->passes_left > 0) || _ignore_passes_left)){ _leaf_candidates.insert( next_candidate->second ); } PS_get_leaf_candidates( &(*next_candidate->second), _leaf_candidates, _ignore_passes_left ); } } // bool PS_test_candidate_sets_on_path( PS_CandidatePtr _candidate ) { // int round = PS_Candidate::MAX_PASSES - _candidate->passes_left; // __SOURCE_MIN_MATCH_COUNT = (_candidate->source_set->size() * (__MIN_PERCENTAGE_SET_MATCH - (round * 5))) / 100.0; // __SOURCE_MAX_MATCH_COUNT = (_candidate->source_set->size() * (__MAX_PERCENTAGE_SET_MATCH + (round * 5))) / 100.0; // __TARGET_MIN_MATCH_COUNT = (_candidate->target_set->size() * (__MIN_PERCENTAGE_SET_MATCH - (round * 5))) / 100.0; // __TARGET_MAX_MATCH_COUNT = (_candidate->target_set->size() * (__MAX_PERCENTAGE_SET_MATCH + (round * 5))) / 100.0; // long count_matched_source = 0; // long count_matched_target = 0; // SpeciesID path_id; // IDSetCIter path_end = __PATH.end(); // IDSetCIter path = __PATH.begin(); // IDSetCIter source_end = _candidate->source_set->end(); // IDSetCIter source = _candidate->source_set->begin(); // IDSetCIter target_end = _candidate->target_set->end(); // IDSetCIter target = _candidate->target_set->begin(); // while (path != path_end) { // path_id = *path; // while ((*target < path_id) && (target != target_end)) { // ++target; // } // if ((target != target_end) && (*target == path_id)) // ++count_matched_target; // while ((*source < path_id) && (source != source_end)) { // ++source; // } // if ((source != source_end) && (*source == path_id)) // ++count_matched_source; // ++path; // } // if ((count_matched_source > __SOURCE_MIN_MATCH_COUNT) && // (count_matched_source < __SOURCE_MAX_MATCH_COUNT) && // (count_matched_target > __TARGET_MIN_MATCH_COUNT) && // (count_matched_target < __TARGET_MAX_MATCH_COUNT)) { // return true; // } // return false; // } void PS_get_next_candidates_descend( PS_NodePtr _ps_node, PS_CandidateSet &_leaf_candidates ) { // scan PS_node-tree for next candidates for each of _leaf_candidates SpeciesID id = _ps_node->getNum(); bool has_probes = _ps_node->hasProbes(); // // append ID to path // __PATH.insert( id ); // // dont look at path until ID is greater than lowest ID in the sets of IDs // also dont use a node if its already used as candidate // if ((id >= __MIN_SETS_ID) && has_probes) { unsigned long total_gain_of_node = 0; unsigned long total_tests_per_node = 0; ++__PROBES_COUNTER; // iterate over _leaf_candidates for ( PS_CandidateSetIter candidate_iter = _leaf_candidates.begin(); candidate_iter != _leaf_candidates.end(); ++candidate_iter ) { PS_CandidateSPtr candidate = *candidate_iter; // next leaf-candidate if the probe was already used for current candidate if (candidate->alreadyUsedNode( _ps_node )) continue; ++__CANDIDATES_COUNTER; // possible candidates if (__VERBOSE) printf( "%8lup %8lur %8luc %8lug %8luu\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b", __PROBES_COUNTER, __PROBES_REMOVED, __CANDIDATES_COUNTER, __CANDIDATES_TODO, __CANDIDATES_FINISHED ); fflush( stdout ); // next leaf-candidate if __PATH doesnt fulfill matching criteria unsigned long matches = candidate->matchPathOnOneFalseIDs( __PATH ); if (matches < candidate->one_false_IDs_matches) continue; ++__CANDIDATES_TODO; // good candidates if (__VERBOSE) printf( "%8lup %8lur %8luc %8lug %8luu\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b", __PROBES_COUNTER, __PROBES_REMOVED, __CANDIDATES_COUNTER, __CANDIDATES_TODO, __CANDIDATES_FINISHED ); fflush( stdout ); // test node on candidate's bitmap float filling_level; ++total_tests_per_node; unsigned long gain = PS_test_candidate_on_bitmap( &filling_level, candidate->map ); total_gain_of_node += gain; if (candidate->updateBestChild( gain, matches, filling_level, _ps_node, __PATH )) { ++__CANDIDATES_FINISHED; // used candiates if (__VERBOSE) printf( "%8lup %8lur %8luc %8lug %8luu\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b", __PROBES_COUNTER, __PROBES_REMOVED, __CANDIDATES_COUNTER, __CANDIDATES_TODO, __CANDIDATES_FINISHED ); fflush( stdout ); } } if ((total_tests_per_node == _leaf_candidates.size()) && (total_gain_of_node == 0)) { ++__PROBES_REMOVED; if (__VERBOSE) printf( "%8lup %8lur %8luc %8lug %8luu\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b\b", __PROBES_COUNTER, __PROBES_REMOVED, __CANDIDATES_COUNTER, __CANDIDATES_TODO, __CANDIDATES_FINISHED ); fflush( stdout ); _ps_node->removeProbes(); } } // // step down the children if either ID is lower than highest // ID in the set of ID-pairs or the node has no probes // if ((id < __MAX_SETS_ID) || (! has_probes)) { for ( PS_NodeMapConstIterator i = _ps_node->getChildrenBegin(); i != _ps_node->getChildrenEnd(); ++i) { PS_get_next_candidates_descend( i->second, _leaf_candidates ); } } // // remove ID from path // __PATH.erase( id ); } void PS_get_next_candidates( const PS_NodePtr _root_node, PS_CandidateSet &_leaf_candidates ) { struct tms before; times( &before ); // first calc source/target/false_IDs sets printf( "PS_get_next_candidates() : initializing %zu candidates..\n", _leaf_candidates.size() ); fflush( stdout ); __PROBES_COUNTER = 0; __PROBES_REMOVED = 0; __CANDIDATES_COUNTER = 0; __CANDIDATES_TODO = 0; __CANDIDATES_FINISHED = 0; __MIN_SETS_ID = __MAX_ID; __MAX_SETS_ID = __MIN_ID; for ( PS_CandidateSetIter iter = _leaf_candidates.begin(); iter != _leaf_candidates.end(); ++iter ) { PS_CandidateSPtr candidate = *iter; if (!candidate->map) { // if candidate has no map yet candidate->getParentMap(); // try to get its parent's map if (candidate->map) { // if parent had a map (if not a new map is created in PS_calc_next_speciesid_sets_for_candidate PS_apply_path_to_bitmap( candidate->path, true, candidate->map ); // apply candidate's path } } PS_make_map_for_candidate( &(*candidate) ); candidate->initFalseIDs( __MIN_ID, __MAX_ID, __MIN_SETS_ID, __MAX_SETS_ID ); //candidate->print(); } // scan tree printf( "PS_get_next_candidates() : " ); fflush( stdout ); for ( PS_NodeMapConstIterator node_iter = _root_node->getChildrenBegin(); (node_iter != _root_node->getChildrenEnd()) && (node_iter->first < __MAX_SETS_ID); ++node_iter ) { __PATH.clear(); PS_get_next_candidates_descend( node_iter->second, _leaf_candidates ); } printf( "looked at probes (%lu) -> removed probes (%lu) possible candidates (%lu) -> good candidates (%lu) -> used candidates (%lu)\nPS_get_next_candidates() : ", __PROBES_COUNTER, __PROBES_REMOVED, __CANDIDATES_COUNTER, __CANDIDATES_TODO, __CANDIDATES_FINISHED ); fflush( stdout ); PS_print_time_diff( &before ); // 'descend' candidates for ( PS_CandidateSetIter iter = _leaf_candidates.begin(); iter != _leaf_candidates.end(); ++iter ) { PS_CandidateSPtr candidate = *iter; candidate->print(); candidate->decreasePasses(); } _leaf_candidates.clear(); PS_get_leaf_candidates( __CANDIDATES_ROOT, _leaf_candidates ); } // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // // check arguments // if (argc < 5) { printf( "Missing argument\n Usage %s <[-]candidates filename> [--verbose] [result filename prefix for output files]\n", argv[0] ); exit( 1 ); } const char *input_DB_name = argv[1]; const char *result_in_filename = argv[2]; const char *candidates_filename = argv[3]; const char *final_candidates_filename = argv[4]; const char *result_out_prefix = (argc > 5) ? argv[5] : 0; if (argc > 5) { if (strcmp(result_out_prefix,"--verbose") == 0) { __VERBOSE = true; result_out_prefix = (argc > 6) ? argv[6] : 0; } } // // open probe-set-database // printf( "Opening probe-set-database '%s'..\n", input_DB_name ); PS_Database *db = new PS_Database( input_DB_name, PS_Database::READONLY ); db->load(); __MAX_ID = db->getMaxID(); __MIN_ID = db->getMinID(); __SPECIES_COUNT = db->getSpeciesCount(); printf( "min ID (%i) max ID (%i) count of species (%i)\n", __MIN_ID, __MAX_ID, __SPECIES_COUNT ); printf( "..loaded database (enter to continue)\n" ); fflush( stdout ); // // open result file for preset bitmap // printf( "Opening result file %s..\n", result_in_filename ); PS_FileBuffer *result_file = new PS_FileBuffer( result_in_filename, PS_FileBuffer::READONLY ); long size; ID2IDSet noMatches; SpeciesID id1,id2; printf( "reading no matches : " ); result_file->get_long( size ); printf( "(%li)\n", size ); fflush( stdout ); for ( long i=0; i < size; ++i ) { result_file->get_int( id1 ); result_file->get_int( id2 ); printf( " %i,%i", id1, id2 ); if (id1 < id2) { noMatches.insert( ID2IDPair(id1,id2) ); } else { noMatches.insert( ID2IDPair(id2,id1) ); } } printf( "\nreading one matches : " ); result_file->get_long( size ); printf( "(%li)\n", size ); fflush( stdout ); long path_length; SpeciesID path_id; IDSet path; IDID2IDSetMap oneMatchesMap; for ( long i=0; i < size; ++i) { path.clear(); result_file->get_int( id1 ); result_file->get_int( id2 ); result_file->get_long( path_length ); printf( "%i,%i path(%li)", id1, id2, path_length ); while (path_length-- > 0) { result_file->get_int( path_id ); printf( " %i", path_id ); path.insert( path_id ); } printf( "\n" ); oneMatchesMap[ ID2IDPair(id1,id2) ] = path; } printf( "loading preset bitmap..\n" ); fflush( stdout ); __BITS_IN_MAP = ((__MAX_ID+1)*__MAX_ID)/2 + __MAX_ID+1; __MAP = new PS_BitMap_Counted( result_file ); __PRESET_MAP = new PS_BitMap_Counted( false, __MAX_ID+1 ); for (id1 = 0; id1 < __MIN_ID; ++id1 ) { for (id2 = 0; id2 <= __MAX_ID; ++id2 ) { if (id1 > id2) { __MAP->setTrue( id1,id2 ); } else { __MAP->setTrue( id2,id1 ); } } } for ( SpeciesID id = 0; id <= __MAX_ID; ++id ) { __MAP->setTrue( id,id ); } __MAP->recalcCounters(); __PRESET_MAP->copy( __MAP ); printf( "..loaded result file (enter to continue)\n" ); printf( "cleaning up... result file\n" ); fflush( stdout ); delete result_file; // // create or read candidates // __CANDIDATES_ROOT = new PS_Candidate( 0.0 ); PS_FileBuffer *candidates_file; struct tms before; if (candidates_filename[0] != '-') { printf( "searching candidates..\n" ); // // recursively build a tree of candidates // __MAX_DEPTH = 0; for ( long species_count = __SPECIES_COUNT; species_count > 0; species_count >>= 1 ) { ++__MAX_DEPTH; } __MAX_DEPTH = (__MAX_DEPTH * 3) >> 1; __PATH_IN_CANDIDATES = (char *)calloc( __MAX_DEPTH+1, sizeof(char) ); __CANDIDATES_TODO = 0; __CANDIDATES_FINISHED = 0; times( &before ); PS_descend( __CANDIDATES_ROOT, db->getConstRootNode(), 0, 0.0 ); printf( "PS_descend : total " ); PS_print_time_diff( &before ); // // save candidates // printf( "saving candidates to %s..\n", candidates_filename ); candidates_file = new PS_FileBuffer( candidates_filename, PS_FileBuffer::WRITEONLY ); __CANDIDATES_ROOT->false_IDs = __BITS_IN_MAP; __CANDIDATES_ROOT->save( candidates_file, __BITS_IN_MAP ); } else { printf( "loading candidates..\n" ); candidates_file = new PS_FileBuffer( candidates_filename+1, PS_FileBuffer::READONLY ); __CANDIDATES_ROOT->load( candidates_file, __BITS_IN_MAP, db->getConstRootNode() ); printf( "..loaded candidates file (enter to continue)\n" ); } printf( "cleaning up... candidates file\n" ); fflush( stdout ); delete candidates_file; // // scan candidates-tree for leaf candidates // printf( "CANDIDATES :\n" ); __CANDIDATES_ROOT->print(); printf( "\nsearching leaf candidates.. " ); PS_CandidateSet leaf_candidates; PS_get_leaf_candidates( __CANDIDATES_ROOT, leaf_candidates ); printf( "%zu\n", leaf_candidates.size() ); // // scan tree for next candidates (below the ones in leaf_candidates) // times( &before ); long round = 0; while ((leaf_candidates.size() > 0) && (round < 200)) { printf( "\nsearching next candidates [round #%li]..\n", ++round ); PS_get_next_candidates( db->getConstRootNode(), leaf_candidates ); // printf( "\nCANDIDATES :\n" ); // __CANDIDATES_ROOT->print(); printf( "rounds %li total ", round ); PS_print_time_diff( &before ); // getchar(); } printf( "\nFINAL CANDIDATES:\n" ); __CANDIDATES_ROOT->print( 0,true ); printf( "\nfinal leaf candidates.. (%zu)\n", leaf_candidates.size() ); PS_get_leaf_candidates( __CANDIDATES_ROOT, leaf_candidates, true ); for ( PS_CandidateSetIter c = leaf_candidates.begin(); c != leaf_candidates.end(); ++c ) { (*(*c)).print(); } // // save final candidates // printf( "saving final candidates to %s..\n", final_candidates_filename ); candidates_file = new PS_FileBuffer( final_candidates_filename, PS_FileBuffer::WRITEONLY ); __CANDIDATES_ROOT->save( candidates_file, __BITS_IN_MAP ); printf( "cleaning up... candidates file\n" ); fflush( stdout ); delete candidates_file; // // starting with the best candidate print the __MAP for each // depth walking up to root of candidates-tree // if (result_out_prefix) { // put __MAP in the state 'after applying best_candidate and its parents' PS_CandidateSPtr best_candidate_smart = *leaf_candidates.begin(); PS_CandidatePtr best_candidate = &(*best_candidate_smart); PS_ascend( best_candidate ); PS_apply_path_to_bitmap( best_candidate->path ); while (best_candidate) { PS_GNUPlot( result_out_prefix, __MAX_DEPTH--, best_candidate->path, noMatches ); best_candidate = PS_ascend( best_candidate ); } } // // clean up // printf( "cleaning up... candidates\n" ); fflush( stdout ); delete __CANDIDATES_ROOT; free( __PATH_IN_CANDIDATES ); printf( "cleaning up... database\n" ); fflush( stdout ); delete db; printf( "cleaning up... bitmaps\n" ); fflush( stdout ); delete __PRESET_MAP; delete __MAP; return 0; } ./arbsrc_9167/PROBE_SET/ps_get_probes.cxx0000644012664100000130000002201411440742777020114 0ustar arb_buildcoders#include #include #include #include #ifndef PS_PG_TREE_FUNCTIONS #include "ps_pg_tree_functions.cxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif // GLOBALS char *__ARB_DB_NAME = 0; GBDATA *__ARB_DB = 0; GBDATA *__ARB_GROUP_TREE = 0; GB_ERROR __ARB_ERROR = 0; bool PS_get_probe_for_path( IDSet& _path, unsigned int _GC_content, unsigned int _probe_length, char *_probe_data ) { GB_transaction dummy( __ARB_DB ); SpeciesID num; GBDATA *data; GBDATA *arb_node; GBDATA *arb_group; IDSetCIter id; unsigned int gc_content; // iterate over path arb_node = __ARB_GROUP_TREE; for ( id = _path.begin(); (id != _path.end()) && arb_node; ++id ) { // search for arb-node with num == id arb_node = PS_get_first_node( arb_node ); if (!arb_node) break; data = GB_entry(arb_node, "num"); num = atoi( GB_read_char_pntr( data ) ); while (num != *id) { // get next node arb_node = PS_get_next_node( arb_node ); if (!arb_node) break; // get num of arb-node data = GB_entry(arb_node, "num"); num = atoi( GB_read_char_pntr( data ) ); } if (!arb_node) break; } if (!arb_node) { printf( " ERROR : failed to get node for ID (%i)\n", *id ); return false; } // search for probe with GC-content == _GC_content arb_group = GB_entry(arb_node, "group"); if (!arb_group) { printf( " ERROR : failed to get group of node" ); return false; } data = PG_get_first_probe( arb_group ); if (!data) { printf( " ERROR : failed to get first probe of group of node" ); return false; } while (_probe_data[0] == '\x00') { const char *buffer = PG_read_probe( data ); // read probe data gc_content = 0; for ( unsigned int i = 0; i < _probe_length; ++i ) { // calc GC-content if ((buffer[i] == 'C') || (buffer[i] == 'G')) ++gc_content; } if (gc_content == _GC_content) { // found matching probe ? for ( unsigned int i = 0; i < _probe_length; ++i ) { // store probe data _probe_data[i] = buffer[i]; } } else { data = PG_get_next_probe( data ); // get next probe if (!data) break; } } if (!data) { printf( " ERROR : failed to find probe with GC-content (%u)\n", _GC_content ); return false; } return true; } // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // // check arguments // if (argc < 3) { printf( "Missing argument\n Usage %s \n", argv[0] ); printf( "Example:\n %s ~/data/850.final_candidates.paths ~/data/ssjun03_Eucarya_850.pg_\n", argv[0] ); exit( 1 ); } char *final_candidates_paths_filename = argv[1]; char *arb_db_name_prefix = argv[2]; char *temp_filename = (char *)malloc( strlen(final_candidates_paths_filename)+1+5 ); strcpy( temp_filename, final_candidates_paths_filename ); strcat( temp_filename, ".temp" ); unlink( temp_filename ); printf( "Opening temp-file '%s'..\n", temp_filename ); PS_FileBuffer *temp__file = new PS_FileBuffer( temp_filename, PS_FileBuffer::WRITEONLY ); // // candidates // printf( "Opening candidates-paths-file '%s'..\n", final_candidates_paths_filename ); PS_FileBuffer *paths_file = new PS_FileBuffer( final_candidates_paths_filename, PS_FileBuffer::READONLY ); unsigned long paths_todo; unsigned int probe_length_todo = 0; unsigned int probe_buffer_length = 100; char *probe_buffer = 0; // read count of paths paths_file->get_ulong( paths_todo ); temp__file->put_ulong( paths_todo ); // read used probe lengths unsigned int count; set probe_lengths; paths_file->get_uint( count ); temp__file->put_uint( count ); printf( "probe lengths :" ); for ( unsigned int i = 0; i < count; ++i ) { unsigned int length; paths_file->get_uint( length ); temp__file->put_uint( length ); probe_lengths.insert( length ); printf( " %u", length ); } printf( "\n" ); // read candidates while (paths_todo) { printf( "\npaths todo (%lu)\n", paths_todo-- ); unsigned int probe_length; unsigned int probe_GC_content; unsigned int path_length; IDSet path; SpeciesID id; // read one candidate paths_file->get_uint( probe_length ); temp__file->put_uint( probe_length ); paths_file->get_uint( probe_GC_content ); temp__file->put_uint( probe_GC_content ); printf( " probe length (%u) GC (%u)\n", probe_length, probe_GC_content ); paths_file->get_uint( path_length ); temp__file->put_uint( path_length ); printf( " path size (%u) ( ", path_length ); for ( unsigned int i = 0; i < path_length; ++i ) { paths_file->get_int( id ); temp__file->put_int( id ); path.insert( id ); printf( "%i ", id ); } printf( ")\n" ); if (!probe_buffer || (probe_length > probe_buffer_length)) { if (probe_buffer) { // adjust buffer size free( probe_buffer ); probe_buffer_length = 2 * probe_length; } probe_buffer = (char*)calloc( probe_buffer_length,sizeof(char) ); } paths_file->get( probe_buffer, probe_length ); probe_buffer[ probe_length ] = '\x00'; // handle probe if (probe_buffer[0] == '\x00') { if (!probe_length_todo) { printf( "handling probes of length %u this time\n", probe_length ); probe_length_todo = probe_length; // init. arb-db-filename // +1 for \0, +7 for 'tmp.arb', +5 for max number of digits of unsigned int __ARB_DB_NAME = (char*)malloc( strlen(arb_db_name_prefix)+1+7+5 ); sprintf( __ARB_DB_NAME, "%s%utmp.arb", arb_db_name_prefix, probe_length ); printf( "Opening ARB-Database '%s'..\n ", __ARB_DB_NAME ); __ARB_DB = GB_open( __ARB_DB_NAME, "rN" ); if (!__ARB_DB) { __ARB_ERROR = GB_await_error(); printf( "%s\n", __ARB_ERROR ); return 1; } GB_transaction dummy( __ARB_DB ); __ARB_GROUP_TREE = GB_entry(__ARB_DB, "group_tree"); if (!__ARB_GROUP_TREE) { printf( "no 'group_tree' in database\n" ); return 1; } GBDATA *first_level_node = PS_get_first_node( __ARB_GROUP_TREE ); if (!first_level_node) { printf( "no 'node' found in group_tree\n" ); return 1; } } if (probe_length_todo == probe_length) { if (!PS_get_probe_for_path( path, probe_GC_content, probe_length, probe_buffer )) { delete temp__file; return 1; } printf( " probe data (%s) ==> updated\n", probe_buffer ); } else { printf( " probe data (%s) --> skipped\n", probe_buffer ); } } else { printf( " probe data (%s) --> finished\n", probe_buffer ); } temp__file->put( probe_buffer, probe_length ); } probe_lengths.clear(); paths_file->get_uint( count ); for ( unsigned int i = 0; i < count; ++i ) { unsigned int length; paths_file->get_uint( length ); if (length != probe_length_todo) probe_lengths.insert( length ); } printf( "remaining probe lengths :" ); temp__file->put_uint( probe_lengths.size() ); for ( set::iterator length = probe_lengths.begin(); length != probe_lengths.end(); ++length ) { temp__file->put_uint( *length ); printf( " %u", *length ); } printf( "\n" ); if (probe_buffer) free( probe_buffer ); if (__ARB_DB_NAME) free( __ARB_DB_NAME ); printf( "cleaning up... temp-file\n" ); fflush( stdout ); delete temp__file; printf( "cleaning up... candidates-paths-file\n" ); fflush( stdout ); delete paths_file; printf( "moving temp-file to candiates-paths-file\n" ); fflush( stdout ); rename( temp_filename, final_candidates_paths_filename ); // exit code == 0 if all probe lengths handled // exit code == 1 if failure // exit code >= 2 else return probe_lengths.size()*2; } ./arbsrc_9167/PROBE_SET/ps_make_sample_db.cxx0000644012664100000130000000511011440742777020704 0ustar arb_buildcoders#include #include //#include #include #ifndef PS_NODE_HXX #include "ps_node.hxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // create probe-set-database if (argc < 4) { printf("Missing arguments\n Usage %s [print]\n",argv[0]); exit(1); } unsigned short quality = atoi(argv[1]); unsigned short probelength = atoi(argv[2]); const char *output_DB_name = argv[3]; printf( "creating probe-set-database '%s'..", output_DB_name ); PS_FileBuffer *ps_db_fb = new PS_FileBuffer( output_DB_name, false ); printf( "done\n" ); // create sample tree printf( "making sample tree..." ); PS_NodePtr root(new PS_Node(-1)); for (int id = 10; id < 15; ++id) { PS_NodePtr new_child( new PS_Node( id ) ); if (id % 2 != 0) { for (int pnr = 0; pnr < 5; ++pnr ) { PS_ProbePtr new_probe( new PS_Probe ); new_probe->length = probelength; new_probe->quality = quality; new_probe->GC_content = (unsigned short) (random() % probelength); new_child->addProbe( new_probe ); } } root->addChild( new_child ); } for (PS_NodeMapIterator child = root->getChildrenBegin(); child != root->getChildrenEnd(); ++child ) { for (int id = child->second->getNum()*100; id < (child->second->getNum()*100)+10; ++id) { PS_NodePtr new_child( new PS_Node( id ) ); if (random() % 3 != 0) { for (int pnr = 0; pnr < 50; ++pnr ) { PS_ProbePtr new_probe( new PS_Probe ); new_probe->length = probelength; new_probe->quality = quality; new_probe->GC_content = (unsigned short) (random() % probelength); new_child->addProbe( new_probe ); } } child->second->addChild( new_child ); } } printf( "done (enter to continue)\n" ); getchar(); if (argc >= 4) { root->print(); printf( "\n(enter to continue)\n" ); getchar(); } // write sample tree root->save( ps_db_fb ); // clean up delete ps_db_fb; root.SetNull(); printf( "root should be destroyed now (enter to continue)\n" ); getchar(); return 0; } ./arbsrc_9167/PROBE_SET/ps_merge_my_dbs.cxx0000644012664100000130000000320411440742777020417 0ustar arb_buildcoders#include #include #include #include #include "ps_tools.hxx" #include "ps_database.hxx" // ==================================================== int main( int argc, char *argv[] ) { if (argc < 3) { printf( "Missing arguments\n Usage %s [[input3]...]\n", argv[0] ); exit( 1 ); } // // init database object // const char *input_DB_name = argv[2]; struct tms before; times( &before ); printf( "Opening 1st input-probe-set-database '%s'..\n", input_DB_name ); PS_Database *db = new PS_Database( input_DB_name, PS_Database::READONLY ); db->load(); PS_print_time_diff( &before, "(enter to continue) " ); // getchar(); // // merge in other databasefiles // for (int i = 3; i < argc; ++i) { input_DB_name = argv[i]; printf( "Appending input-probe-set-database '%s'..\n", input_DB_name ); times( &before ); db->merge( input_DB_name ); PS_print_time_diff( &before ); } printf( "Merged databases (enter to continue)\n" ); // getchar(); // // write one big whole tree to file // const char *output_DB_name = argv[1]; times( &before ); printf( "Writing output-probe-set-database '%s'..\n",output_DB_name ); db->saveTo( output_DB_name ); PS_print_time_diff( &before, "(enter to continue) " ); // getchar(); printf( "cleaning up...\n" ); if (db) delete db; // printf( "root should be destroyed now\n" ); // printf( "(enter to continue)\n" ); // getchar(); return 0; } ./arbsrc_9167/PROBE_SET/ps_my2ascii.cxx0000644012664100000130000000260611440742777017510 0ustar arb_buildcoders#include #include #include #ifndef PS_FILE_BUFFER_HXX #include "ps_filebuffer.hxx" #endif #ifndef PS_NODE_HXX #include "ps_node.hxx" #endif // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // // check arguments // if (argc < 3) { printf("Missing arguments\n Usage %s \n",argv[0]); exit(1); } // // open probe-set-database // PS_Node *root = new PS_Node(-1); const char *input_DB_name = argv[1]; PS_FileBuffer *ps_db_fb = new PS_FileBuffer( input_DB_name, PS_FileBuffer::READONLY ); printf( "Opening input-probe-set-database '%s'..\n", input_DB_name ); root->load( ps_db_fb ); printf( "loaded database (enter to continue)\n" ); // getchar(); // // write as ASCII // const char *output_DB_name = argv[2]; printf( "writing probe-data to %s\n",output_DB_name ); ps_db_fb->reinit( output_DB_name, PS_FileBuffer::WRITEONLY ); char *buffer = (char *)malloc( 512 ); root->saveASCII( ps_db_fb,buffer ); printf( "(enter to continue)\n" ); // getchar(); // // clean up // free( buffer ); delete ps_db_fb; printf( "(enter to continue)\n" ); // getchar(); return 0; } ./arbsrc_9167/PROBE_SET/ps_my2asciipaths.cxx0000644012664100000130000000406311440742777020547 0ustar arb_buildcoders #include #include #include #ifndef PS_DEFS_HXX #include "ps_defs.hxx" #endif #ifndef PS_NODE_HXX #include "ps_node.hxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif // GLOBALS typedef pair p; vector

    *__PATH = new vector

    ; void PS_print_paths( const PS_NodePtr _ps_node ) { // recursively print the paths to the leaves // path __PATH->push_back( p(_ps_node->hasInverseProbes(),_ps_node->hasProbes() ? _ps_node->getNum() : -(_ps_node->getNum())) ); // children if (_ps_node->hasChildren()) { for (PS_NodeMapConstIterator i = _ps_node->getChildrenBegin(); i != _ps_node->getChildrenEnd(); ++i) { PS_print_paths( i->second ); } } else { // print path in leaf nodes printf( "[%4zu] ",__PATH->size() ); for (vector

    ::const_iterator i=__PATH->begin(); i != __PATH->end(); ++i ) { printf( "%4i%c ",i->second,i->first ? '+' : ' ' ); } printf( "\n" ); // getchar(); } // path __PATH->pop_back(); } // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // open probe-set-database if (argc < 2) { printf("Missing arguments\n Usage %s \n",argv[0]); exit(1); } const char *input_DB_name = argv[1]; printf( "Opening probe-set-database '%s'..\n", input_DB_name ); PS_FileBuffer *fb = new PS_FileBuffer( input_DB_name, PS_FileBuffer::READONLY ); PS_NodePtr root(new PS_Node(-1)); root->load( fb ); printf( "loaded database (enter to continue)\n" ); // getchar(); for (PS_NodeMapConstIterator i = root->getChildrenBegin(); i != root->getChildrenEnd(); ++i) { PS_print_paths( i->second ); } printf( "(enter to continue)\n" ); // getchar(); delete fb; root.SetNull(); printf( "root should be destroyed now\n" ); printf( "(enter to continue)\n" ); // getchar(); return 0; } ./arbsrc_9167/PROBE_SET/ps_node.cxx0000644012664100000130000001602311440742777016713 0ustar arb_buildcoders#include "ps_node.hxx" #include using namespace std; // // *** disk output ASCII *** // bool PS_Node::saveASCII( PS_FileBuffer* _fb, char *buffer ) { // buffer MUST be at least 100 chars long unsigned int size; int count; // // write num // count = sprintf( buffer, "N[%i", num ); _fb->put( buffer,count ); // // write probes // size = (probes == 0) ? 0 : probes->size(); if (size) { count = sprintf( buffer, " P{%i", size ); _fb->put( buffer, count ); for (PS_ProbeSetCIter i=probes->begin(); i!=probes->end(); ++i) { count = sprintf( buffer, " (%i_%i_%i)", (*i)->quality, (*i)->length, (*i)->GC_content ); _fb->put( buffer, count ); } _fb->put_char( '}' ); } // // write children // size = children.size(); if (size) { count = sprintf( buffer, " C<%i", size ); _fb->put( buffer, count ); for (PS_NodeMapIterator i=children.begin(); i!=children.end(); ++i) { _fb->put_char( '\n' ); if (num == -1) _fb->put_char( '+' ); i->second->saveASCII( _fb,buffer ); } _fb->put_char( '>' ); } // // return true to signal success // _fb->put_char( ']' ); return true; } // // *** disk output *** // bool PS_Node::save( PS_FileBuffer* _fb ) { unsigned int size; // // write num // _fb->put_int( num ); // // write probes // size = (probes == 0) ? 0 : probes->size(); _fb->put_uint( size ); if (size) { PS_Probe p; for (PS_ProbeSetCIter i=probes->begin(); i!=probes->end(); ++i) { p = **i; _fb->put( &p, sizeof(PS_Probe) ); } } // // write children // size = children.size(); _fb->put_uint( size ); for (PS_NodeMapIterator i=children.begin(); i!=children.end(); ++i) { i->second->save( _fb ); } // // return true to signal success // return true; } // // *** disk input *** // bool PS_Node::load( PS_FileBuffer* _fb ) { unsigned int size; // // read num // _fb->get_int( num ); // // read probes // _fb->get_uint( size ); if (size) { // does node have probes ? probes = new PS_ProbeSet; // make new probeset for (unsigned int i=0; iget( p, sizeof(PS_Probe) ); // read new probe PS_ProbePtr new_probe(p); // make new probe-smartpointer probes->insert( new_probe ); // append new probe to probeset } } else { probes = 0; // unset probeset } // // read children // _fb->get_uint( size ); if (num == -1) { for (unsigned int i=0; iload( _fb ); // read new child children[new_child->getNum()] = new_child; // insert new child to childmap if (i % 200 == 0) printf( "loaded 1st level #%i (%i)\n", i+1, new_child->getNum() ); } } else { for (unsigned int i=0; iload( _fb ); // read new child children[new_child->getNum()] = new_child; // insert new child to childmap } } // return true to signal success return true; } // // *** disk input appending *** // bool PS_Node::append( PS_FileBuffer* _fb ) { unsigned int size; // // read num if root // if (num == -1) { _fb->get_int( num ); } // // read probes // _fb->get_uint( size ); if (size) { // does node have probes ? if (!probes) probes = new PS_ProbeSet; // make new probeset for (unsigned int i=0; iget( p, sizeof(PS_Probe) ); // read new probe PS_ProbePtr new_probe(p); // make new probe-smartpointer probes->insert( new_probe ); // append new probe to probeset } } // // read children // _fb->get_uint( size ); for (unsigned int i=0; iget_int( childNum ); if ((num == -1) && (i % 200 == 0)) printf( "appended 1st level #%i (%i)\n", i+1, childNum ); // // test if child already exists // PS_NodeMapIterator it = children.find( childNum ); if (it != children.end()) { it->second->append( _fb ); // 'update' child } else { PS_NodePtr newChild(new PS_Node(childNum)); // make new child newChild->append( _fb ); // read new child children[childNum] = newChild; // insert new child to childmap } } // return true to signal success return true; } // // disk read with callback // children are stored as child[0] one after the other // bool PS_Node::read( PS_FileBuffer* _fb, PS_Callback *_call_destination ) { unsigned int size; // // read num if root // if (num == -1) { _fb->get_int( num ); } // // read probes // _fb->get_uint( size ); if (size) { // does node have probes ? if (!probes) probes = new PS_ProbeSet; // make new probeset for (unsigned int i=0; iget( p, sizeof(PS_Probe) ); // read new probe PS_ProbePtr new_probe(p); // make new probe-smartpointer probes->insert( new_probe ); // append new probe to probeset } } // // callback // _call_destination->callback( this ); // // read children // _fb->get_uint( size ); for (unsigned int i=0; iget_int( childNum ); if ((num == -1) && (i % 200 == 0)) printf( "read 1st level #%i (%i)\n", i+1, childNum ); // // read children // PS_NodePtr child(new PS_Node(childNum)); // make child children[0] = child; // store child as Number Zero child->read( _fb, _call_destination ); // read child children.erase( 0 ); // remove previous child } // // return true to signal success // return true; } ./arbsrc_9167/PROBE_SET/ps_node.hxx0000644012664100000130000002052211440742777016717 0ustar arb_buildcoders#ifndef PS_NODE_HXX #define PS_NODE_HXX #ifndef SMARTPTR_H #include #endif #ifndef PS_DEFS_HXX #include "ps_defs.hxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif using namespace std; typedef struct { short int quality; // negative quality <=> matches inverse path unsigned short int length; unsigned short int GC_content; } PS_Probe; typedef SmartPtr PS_ProbePtr; inline void PS_printProbe( const PS_Probe *p ) { printf("%+i_%u_%u",p->quality,p->length,p->GC_content); } inline void PS_printProbe( const PS_ProbePtr p ) { printf("%+i_%u_%u",p->quality,p->length,p->GC_content); } struct lt_probe { bool operator()(const PS_ProbePtr& p1, const PS_ProbePtr& p2) const { //printf("\t");PS_printProbe(p1);printf(" < ");PS_printProbe(p2);printf(" ?\n"); if (abs(p1->quality) == abs(p2->quality)) { if (p1->length == p2->length) { return (p1->GC_content < p2->GC_content); // equal quality & length => sort by GC-content } else { return (p1->length < p2->length); // equal quality => sort by length } } else { return ((p1->quality < p2->quality)); // sort by quality } } }; typedef set PS_ProbeSet; typedef PS_ProbeSet* PS_ProbeSetPtr; typedef PS_ProbeSet::iterator PS_ProbeSetIter; typedef PS_ProbeSet::const_iterator PS_ProbeSetCIter; class PS_Node; typedef SmartPtr PS_NodePtr; typedef map PS_NodeMap; typedef PS_NodeMap::iterator PS_NodeMapIterator; typedef PS_NodeMap::reverse_iterator PS_NodeMapRIterator; typedef PS_NodeMap::const_iterator PS_NodeMapConstIterator; typedef PS_NodeMap::const_reverse_iterator PS_NodeMapConstRIterator; class PS_Node { private: SpeciesID num; PS_NodeMap children; PS_ProbeSetPtr probes; public: // // *** num *** // void setNum( SpeciesID id ) { num = id; } SpeciesID getNum() const { return num; } // // *** children *** // bool addChild( PS_NodePtr& _child ) { //printf("addChild[%d]\n",child->getNum()); PS_NodeMapIterator it = children.find(_child->getNum()); if (it == children.end()) { children[_child->getNum()] = _child; return true; } else { printf( "child[#%u] already exists\n",_child->getNum() ); return false; } } PS_NodePtr assertChild( SpeciesID _id ) { PS_NodeMapIterator it = children.find( _id ); if (it == children.end()) { PS_NodePtr new_child(new PS_Node(_id)); children[_id] = new_child; return new_child; } else { return it->second; } } pair getChild( SpeciesID id ) { PS_NodeMapIterator it = children.find(id); return pair(it!=children.end(),it->second); } pair getChild( SpeciesID id ) const { PS_NodeMapConstIterator it = children.find(id); return pair(it!=children.end(),it->second); } size_t countChildren() const { return children.size(); } bool hasChildren() const { return (!children.empty()); } PS_NodeMapIterator getChildrenBegin() { return children.begin(); } PS_NodeMapRIterator getChildrenRBegin() { return children.rbegin(); } PS_NodeMapConstIterator getChildrenBegin() const { return children.begin(); } PS_NodeMapConstRIterator getChildrenRBegin() const { return children.rbegin(); } PS_NodeMapIterator getChildrenEnd() { return children.end(); } PS_NodeMapRIterator getChildrenREnd() { return children.rend(); } PS_NodeMapConstIterator getChildrenEnd() const { return children.end(); } PS_NodeMapConstRIterator getChildrenREnd() const { return children.rend(); } // // *** probes *** // bool addProbe( const PS_ProbePtr& probe ) { //printf("addProbe(");PS_printProbe(probe);printf(")\n"); if (!probes) { //printf( "creating new ProbeSet at node #%u (%p)\n",num,this ); probes = new PS_ProbeSet; probes->insert(probe); return true; } else { pair p = probes->insert(probe); // if (!p.second) { // printf( "probe " ); PS_printProbe(probe); // printf( " already exists\n" ); // } return p.second; } } void addProbes( PS_ProbeSetCIter _begin, PS_ProbeSetCIter _end ) { //printf( "check for probes...\n" ); if (_begin == _end) return; //printf( "check for probeset...\n" ); if (!probes) probes = new PS_ProbeSet; for (PS_ProbeSetCIter probe = _begin; probe != _end; ++probe) { //printf( "inserting new probe...\n" ); probes->insert( *probe ); } } void addProbesInverted( PS_ProbeSetCIter _begin, PS_ProbeSetCIter _end ) { //printf( "check for probes...\n" ); if (_begin == _end) return; //printf( "check for probeset...\n" ); if (!probes) probes = new PS_ProbeSet; for (PS_ProbeSetCIter probe = _begin; probe != _end; ++probe) { //printf( "making new probe...\n" ); PS_ProbePtr new_probe(new PS_Probe); new_probe->length = (*probe)->length; new_probe->quality = -((*probe)->quality); new_probe->GC_content = (*probe)->GC_content; //printf( "inserting new probe...\n" ); probes->insert( new_probe ); } } size_t countProbes() const { return (probes == 0) ? 0 : probes->size(); } bool hasProbes() const { return (probes != 0); } bool hasPositiveProbes() const { if (!probes) return false; for (PS_ProbeSetCIter i=probes->begin(); i!=probes->end(); ++i) { if ((*i)->quality >= 0) return true; } return false; } bool hasInverseProbes() const { if (!probes) return false; for (PS_ProbeSetCIter i=probes->begin(); i!=probes->end(); ++i) { if ((*i)->quality < 0) return true; } return false; } PS_ProbeSetCIter getProbesBegin() const { ps_assert(probes); return probes->begin(); } PS_ProbeSetCIter getProbesEnd() const { ps_assert(probes); return probes->end(); } void removeProbe( PS_ProbeSetCIter it ) { ps_assert(probes); probes->erase( it ); } void removeProbes() { if (probes) delete probes; probes = 0; } // // *** output ** // void print() { printf( "\nN[%d] P[ ", num ); if (probes) { for (PS_ProbeSetCIter i=probes->begin(); i!=probes->end(); ++i) { PS_printProbe(*i); printf(" "); } } printf( "] C[" ); for (PS_NodeMapIterator i=children.begin(); i!=children.end(); ++i) { i->second->print(); } printf( "]" ); } void printOnlyMe() const { printf( "N[%d] P[ ", num ); if (probes) { for (PS_ProbeSetCIter i=probes->begin(); i!=probes->end(); ++i) { PS_printProbe(*i); printf(" "); } } printf( "] C[ %zu ]", children.size() ); } // // *** disk i/o *** // bool save( PS_FileBuffer *_fb ); bool saveASCII( PS_FileBuffer *_fb, char *buffer ); bool load( PS_FileBuffer *_fb ); bool append( PS_FileBuffer *_fb ); // load from file and append to node bool read( PS_FileBuffer *_fb, PS_Callback *_call_destination ); // parse file and callback after probes read // // *** constructors *** // PS_Node( SpeciesID id ) { num = id; probes = 0; } //printf(" constructor PS_Node() num=%d (%d)\n",num,int(this)); } // // *** destructor *** // ~PS_Node() { //printf("destroying node #%d (%d)\n",num,int(this)); if (probes) delete probes; children.clear(); } private: PS_Node() { ps_assert(0); } PS_Node(const PS_Node&); // forbidden }; #else #error ps_node.hxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_pg_tree_functions.cxx0000644012664100000130000000625311440742777021507 0ustar arb_buildcoders#ifndef PS_PG_TREE_FUNCTIONS_CXX #define PS_PG_TREE_FUNCTIONS_CXX #ifndef PS_DEFS_HXX #include "ps_defs.hxx" #endif #ifndef ARBDB_H #include #endif using namespace std; // API for Probe-Group-Database format // -------------------------------------------------------------------------------- // mapping shortname <-> SpeciesID static Name2IDMap __NAME2ID_MAP; static ID2NameMap __ID2NAME_MAP; static bool __MAPS_INITIALIZED = false; GB_ERROR PG_initSpeciesMaps(GBDATA *pb_main) { GB_transaction pb_dummy(pb_main); ps_assert(!__MAPS_INITIALIZED); // look for existing mapping in pb-db: GBDATA *pb_mapping = GB_entry(pb_main, "species_mapping"); if (!pb_mapping) { // error GB_export_error("No species mapping"); } else { // retrieve mapping from string const char *mapping = GB_read_char_pntr(pb_mapping); if (!mapping) return GB_export_error("Can't read mapping"); while (mapping[0]) { const char *komma = strchr(mapping, ','); if (!komma) break; const char *semicolon = strchr(komma, ';'); if (!semicolon) break; string name(mapping, komma-mapping); komma+=1; string idnum(komma,semicolon-komma); SpeciesID id = atoi(idnum.c_str()); __NAME2ID_MAP[name] = id; __ID2NAME_MAP[id] = name; mapping = semicolon+1; } } __MAPS_INITIALIZED = true; return 0; } SpeciesID PG_SpeciesName2SpeciesID(const string& shortname) { ps_assert(__MAPS_INITIALIZED); // you didn't call PG_initSpeciesMaps return __NAME2ID_MAP[shortname]; } const string& PG_SpeciesID2SpeciesName(SpeciesID num) { ps_assert(__MAPS_INITIALIZED); // you didn't call PG_initSpeciesMaps return __ID2NAME_MAP[num]; } int PG_NumberSpecies(){ return __ID2NAME_MAP.size(); } // db-structure of group_tree: // // // | // | // "group_tree" // | // | // "node" // | | | // | | | // | | "group" (contains all probes for this group; may be missing) // | | // | "num" (contains species-number (created by PG_SpeciesName2SpeciesID)) // | // "node" // // Notes: - the "node"s contained in the path from "group_tree" to any "group" // describes the members of the group // search or create "group_tree"-entry // static GBDATA *group_tree(GBDATA *pb_main) { // return GB_search(pb_main, "group_tree", GB_CREATE_CONTAINER); // } GBDATA *PG_get_first_probe(GBDATA *pb_group) { return GB_entry(pb_group, "probe"); } GBDATA *PG_get_next_probe(GBDATA *pb_probe) { ps_assert(GB_has_key(pb_probe, "probe")); return GB_nextEntry(pb_probe); } const char *PG_read_probe(GBDATA *pb_probe) { return GB_read_char_pntr(pb_probe); } GBDATA *PS_get_first_node(GBDATA *pb_nodecontainer) { return GB_entry(pb_nodecontainer, "node"); } GBDATA *PS_get_next_node(GBDATA *pb_node) { ps_assert(GB_has_key(pb_node, "node")); return GB_nextEntry(pb_node); } #else #error ps_pg_tree_functions.cxx included twice #endif ./arbsrc_9167/PROBE_SET/ps_show_result.cxx0000644012664100000130000000321611440742777020344 0ustar arb_buildcoders #include #include #ifndef PS_DEFS_HXX #include "ps_defs.hxx" #endif #ifndef PS_FILEBUFFER_HXX #include "ps_filebuffer.hxx" #endif #ifndef PS_BITMAP_HXX #include "ps_bitmap.hxx" #endif // ==================================================== // ==================================================== int main( int argc, char *argv[] ) { // open probe-set-database if (argc < 2) { printf( "Missing argument\n Usage %s \n ", argv[0] ); exit( 1 ); } const char *input_filename = argv[1]; printf( "Opening result file '%s'..\n", input_filename ); PS_FileBuffer *file = new PS_FileBuffer( input_filename, PS_FileBuffer::READONLY ); long size; SpeciesID id1,id2; printf( "\nloading no matches : " ); file->get_long( size ); printf( "%li", size ); for (long i=0; i < size; ++i) { if (i % 5 == 0) printf( "\n" ); file->get_int( id1 ); file->get_int( id2 ); printf( "%5i %-5i ", id1, id2 ); } printf( "\n\nloading one matches : " ); file->get_long( size ); printf( "%li\n", size ); long path_length; SpeciesID path_id; for (long i=0; i < size; ++i) { file->get_int( id1 ); file->get_int( id2 ); file->get_long( path_length ); printf( "%5i %-5i path(%6li): ", id1, id2, path_length ); while (path_length-- > 0) { file->get_int( path_id ); printf( "%i ", path_id ); } printf( "\n" ); } printf( "\nloading preset bitmap\n" ); PS_BitMap_Counted *map = new PS_BitMap_Counted( file ); map->print(); delete map; return 0; } ./arbsrc_9167/PROBE_SET/ps_tools.cxx0000644012664100000130000000570111440742777017127 0ustar arb_buildcoders// ==================================================================== // // // // File : ps_tools.cxx // // Purpose : remove duplicated code // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in October 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include "ps_tools.hxx" #include #include #include #include // void PS_print_time_diff( const struct tms *_since ) { // struct tms now; // times( &now ); // printf( "time used : user (" ); // unsigned int minutes = (now.tms_utime-_since->tms_utime)/CLOCKS_PER_SEC / 60; // unsigned int hours = minutes / 60; // minutes -= hours * 60; // if (hours > 0) printf( "%uh ", hours ); // if (minutes > 0) printf( "%um ", minutes ); // printf( "%.3fs) system (", (float)(now.tms_utime-_since->tms_utime)/CLOCKS_PER_SEC-(hours*3600)-(minutes*60) ); // minutes = (now.tms_stime-_since->tms_stime)/CLOCKS_PER_SEC / 60; // hours = minutes / 60; // minutes -= hours * 60; // if (hours > 0) printf( "%uh ", hours ); // if (minutes > 0) printf( "%um ", minutes ); // printf( "%.3fs)\n", (float)(now.tms_stime-_since->tms_stime)/CLOCKS_PER_SEC-(hours*3600)-(minutes*60) ); // fflush(stdout); // } void PS_print_time_diff( const struct tms *_since, const char *_before, const char *_after) { struct tms now; times( &now ); if (_before) printf( "%s", _before ); printf( "time used : user (" ); unsigned int minutes = (now.tms_utime-_since->tms_utime)/CLOCKS_PER_SEC / 60; unsigned int hours = minutes / 60; minutes -= hours * 60; if (hours > 0) printf( "%uh ", hours ); if (minutes > 0) printf( "%um ", minutes ); printf( "%.3fs) system (", (float)(now.tms_utime-_since->tms_utime)/CLOCKS_PER_SEC-(hours*3600)-(minutes*60) ); minutes = (now.tms_stime-_since->tms_stime)/CLOCKS_PER_SEC / 60; hours = minutes / 60; minutes -= hours * 60; if (hours > 0) printf( "%uh ", hours ); if (minutes > 0) printf( "%um ", minutes ); printf( "%.3fs)", (float)(now.tms_stime-_since->tms_stime)/CLOCKS_PER_SEC-(hours*3600)-(minutes*60) ); if (_after) { printf( "%s", _after ); } else { printf( "\n" ); } fflush( stdout ); } ./arbsrc_9167/PROBE_SET/ps_tools.hxx0000644012664100000130000000216111440742777017131 0ustar arb_buildcoders// ==================================================================== // // // // File : ps_tools.hxx // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in October 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef PS_TOOLS_HXX #define PS_TOOLS_HXX struct tms; void PS_print_time_diff( const struct tms *_since, const char *_before = 0, const char *_after = 0 ); #else #error ps_tools.hxx included twice #endif // PS_TOOLS_HXX ./arbsrc_9167/ptpan/dlist.cxx0000644012664100000130000001230711213220012016107 0ustar arb_buildcoders/************************************************************************ Doubly linked list stuff (implementation similar to AmigaOS lists) Written by Chris Hodges . Last change: 26.08.03 ************************************************************************/ /* Implementation */ #include #include #include "dlist.h" /* /// "NewList()" */ /* Initialize empty list */ void NewList(struct List *lh) { lh->lh_TailPred = (struct Node *) lh; lh->lh_Tail = NULL; lh->lh_Head = (struct Node *) &lh->lh_Tail; } /* \\\ */ /* /// "AddHead()" */ /* Add node to the bottom of the list */ void AddHead(struct List *lh, struct Node *nd) { struct Node *oldhead = lh->lh_Head; lh->lh_Head = nd; nd->ln_Pred = (struct Node *) &lh->lh_Head; nd->ln_Succ = oldhead; oldhead->ln_Pred = nd; } /* \\\ */ /* /// "AddTail()" */ /* Add node at the front of the list */ void AddTail(struct List *lh, struct Node *nd) { struct Node *oldtail = lh->lh_TailPred; lh->lh_TailPred = nd; nd->ln_Succ = (struct Node *) &lh->lh_Tail; nd->ln_Pred = oldtail; oldtail->ln_Succ = nd; } /* \\\ */ /* /// "Remove()" */ /* Remove node from whatever list it is in */ void Remove(struct Node *nd) { nd->ln_Pred->ln_Succ = nd->ln_Succ; nd->ln_Succ->ln_Pred = nd->ln_Pred; } /* \\\ */ /* /// "NodePriCompare()" */ /* compare function for node sorting */ LONG NodePriCompare(const struct Node **node1, const struct Node **node2) { if((*node1)->ln_Pri < (*node2)->ln_Pri) { return(-1); } if((*node1)->ln_Pri > (*node2)->ln_Pri) { return(1); } return(0); } /* \\\ */ /* /// "SortList()" */ BOOL SortList(struct List *lh) { struct Node *ln; struct Node **tmparr; struct Node **arrptr; BOOL sorted = TRUE; ULONG numelem = 0; /* count elements and check, if they are sorted already */ ln = lh->lh_Head; while(ln->ln_Succ) { numelem++; if(ln->ln_Succ->ln_Succ) { if(ln->ln_Succ->ln_Pri < ln->ln_Pri) { sorted = FALSE; } } ln = ln->ln_Succ; } if(sorted || (numelem < 2)) { return(TRUE); /* was already sorted */ } /* allocate a temporary array */ tmparr = (struct Node **) calloc(numelem, sizeof(struct Node *)); if(!tmparr) { return(FALSE); /* out of memory */ } /* enter all elements */ arrptr = tmparr; ln = lh->lh_Head; while(ln->ln_Succ) { *arrptr++ = ln; ln = ln->ln_Succ; } /* sort elements */ //printf("Sorting...\n"); qsort(tmparr, numelem, sizeof(struct Node *), (int (*)(const void *, const void *)) NodePriCompare); /* rebuild list */ NewList(lh); arrptr = tmparr; do { AddTail(lh, *arrptr++); } while(--numelem); free(tmparr); return(TRUE); } /* \\\ */ /* /// "BuildBinTreeRec()" */ struct BinTree * BuildBinTreeRec(struct Node **nodearr, ULONG left, ULONG right) { struct BinTree *bt; ULONG mid; if(left >= right) { return(NULL); } mid = (left + right) >> 1; bt = (struct BinTree *) calloc(sizeof(struct BinTree), 1); if(!bt) { return(NULL); /* out of memory */ } /* fill children and leaves */ bt->bt_Key = nodearr[mid+1]->ln_Pri; bt->bt_Child[0] = BuildBinTreeRec(nodearr, left, mid); if(!bt->bt_Child[0]) { bt->bt_Leaf[0] = nodearr[left]; } bt->bt_Child[1] = BuildBinTreeRec(nodearr, mid+1, right); if(!bt->bt_Child[1]) { bt->bt_Leaf[1] = nodearr[mid+1]; } return(bt); } /* \\\ */ /* /// "BuildBinTree()" */ struct BinTree * BuildBinTree(struct List *list) { struct BinTree *bt; struct Node *ln; struct Node **tmparr; struct Node **arrptr; BOOL sorted = TRUE; ULONG numelem = 0; /* count elements */ ln = list->lh_Head; while(ln->ln_Succ) { numelem++; ln = ln->ln_Succ; } /* allocate a temporary array */ tmparr = (struct Node **) calloc(numelem, sizeof(struct Node *)); if(!tmparr) { return(NULL); /* out of memory */ } /* enter all elements and check, if they are sorted already */ arrptr = tmparr; ln = list->lh_Head; while(ln->ln_Succ) { *arrptr++ = ln; if(ln->ln_Succ->ln_Succ) { if(ln->ln_Succ->ln_Pri < ln->ln_Pri) { sorted = FALSE; } } ln = ln->ln_Succ; } if(!sorted) /* only sort the array, if it wasn't sorted before */ { /* enter elements */ //printf("Sorting...\n"); qsort(tmparr, numelem, sizeof(struct Node *), (int (*)(const void *, const void *)) NodePriCompare); } /* build up the tree */ bt = BuildBinTreeRec(tmparr, 0, numelem-1); free(tmparr); return(bt); } /* \\\ */ /* /// "FreeBinTree()" */ void FreeBinTree(struct BinTree *root) { if(!root) { return; } FreeBinTree(root->bt_Child[0]); FreeBinTree(root->bt_Child[1]); free(root); } /* \\\ */ /* /// "FindBinTreeLowerKey()" */ struct Node *FindBinTreeLowerKey(struct BinTree *root, LLONG key) { if(root->bt_Key > key) { if(root->bt_Leaf[0]) { return(root->bt_Leaf[0]); } if(root->bt_Child[0]) { return(FindBinTreeLowerKey(root->bt_Child[0], key)); } } if(root->bt_Leaf[1]) { return(root->bt_Leaf[1]); } if(root->bt_Child[1]) { return(FindBinTreeLowerKey(root->bt_Child[1], key)); } printf("Huh! Key %lld not found!\n", key); return(NULL); } ./arbsrc_9167/ptpan/dlist.h0000644012664100000130000000217711213220012015540 0ustar arb_buildcoders/************************************************************************ Doubly linked list stuff (implementation similar to AmigaOS lists) Written by Chris Hodges . Last change: 06.05.03 ************************************************************************/ #ifndef DLIST_H #define DLIST_H #include "types.h" /* Simple doubly linked list node */ struct Node { struct Node *ln_Succ; /* Pointer to next (successor) */ struct Node *ln_Pred; /* Pointer to previous (predecessor) */ /*LONG ln_Type;*/ LLONG ln_Pri; /* priority or key */ }; /* List header, empty list must be initialized with NewList() */ struct List { struct Node *lh_Head; struct Node *lh_Tail; struct Node *lh_TailPred; }; struct BinTree { struct BinTree *bt_Child[2]; /* children */ struct Node *bt_Leaf[2]; /* data leaf pointer */ ULONG bt_Key; /* link for left/right */ }; /* prototypes */ void NewList(struct List *lh); void AddHead(struct List *lh, struct Node *nd); void AddTail(struct List *lh, struct Node *nd); void Remove(struct Node *nd); #endif /* DLIST_H */ ./arbsrc_9167/ptpan/globalprefs.h0000644012664100000130000000364611213220012016723 0ustar arb_buildcoders/************************************************************************ Global prefs Written by Chris Hodges . Last change: 02.02.04 ************************************************************************/ #ifndef GLOBALPREFS_H #define GLOBALPREFS_H /* size of alphabet */ #define ALPHASIZE 5 /* How many codes can be stored in a LONG -> ALPHASIZE^MAXCODEFITLONG < 2^31 */ #define MAXCODEFITLONG 13 /* index building prefs */ /* how many characters of a prefix will be observed */ #define MAXPREFIXSIZE 5 /* how big should the quick prefix table be? */ #define MAXQPREFIXLOOKUPSIZE 7 /* ratio between bignodes and small nodes, based on experimental values -- if you ever run out of nodes buffer, increase this value. If you see messages about lots of memory wasted, decrease these values. */ #define SMALLNODESPERCENT 105 #define BIGNODESPERCENT 10 /* short edge maximum length (maximum length of edge stored implicitely and not in the dictionary) */ #define SHORTEDGEMAX 6 /* double delta leaf compression */ //#define DOUBLEDELTALEAVES //#define DOUBLEDELTAOPTIONAL /* size of hash table for duplicates detection during query */ #define QUERYHITSHASHSIZE 12800009 /* size of the hash table for species lookup by name */ #define SPECIESNAMEHASHSIZE 10000 /* minimum length of probe for searching */ #define MIN_PROBE_LENGTH 8 /* error decrease for mismatches in probe design */ #define PROBE_MISM_DEC 0.2 // Allow dots in match. When building the tree, up to MAXDOTSINMATCH dots // in succession will be converted to SEQCODE_N. In ps_SeqDataCompressed, // they will be saved as dots. One replaced dot will add the same mismatch // as a replaced N. (So 0.1 at the moment) // This feature is not well testet, yet! //#define ALLOWDOTSINMATCH // Number of allowed dots in succession #define MAXDOTSINMATCH 5 // Allowed error when comparing floats #define EPSILON 0.000001 #endif /* GLOBALPREFS_H */ ./arbsrc_9167/ptpan/hooks.cxx0000644012664100000130000000053011213220012016106 0ustar arb_buildcoders/************************************************************************ Definition for call back hooks Written by Chris Hodges . Last change: 06.05.03 ************************************************************************/ #include "hooks.h" APTR CallHook(struct Hook *hook) { return((*(hook->h_Func))(hook)); } ./arbsrc_9167/ptpan/hooks.h0000644012664100000130000000105611213220012015537 0ustar arb_buildcoders/************************************************************************ Definition for call back hooks Written by Chris Hodges . Last change: 06.05.03 ************************************************************************/ #ifndef HOOKS_H #define HOOKS_H #include "dlist.h" /* standard callback hook */ struct Hook { struct Node h_Node; /* node for linkage */ APTR (*h_Func)(struct Hook *); /* calling function */ APTR h_UserData; }; /* prototypes */ APTR CallHook(struct Hook *hook); #endif /* HOOKS_H */ ./arbsrc_9167/ptpan/Makefile0000644012664100000130000002321411440743000015714 0ustar arb_buildcoders.SUFFIXES: .o .cxx .depend OBJECTS = PTP_new_design.o PTP_main.o PTP_io.o \ PTP_etc.o PTP_family.o\ PT_lowlevel.o PT_huffman.o PT_treepack.o \ PTP_buildtree.o PTP_match.o PTP_findEx.o \ PT_cachehandler.o PT_hashing.o \ dlist.o AOBJECTS = #BI_helix.o $(MAIN): $(OBJECTS) $(AOBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) $(AOBJECTS) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) -I./../probe_bank/COM .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) -I./../probe_bank/COM proto: ../MAKEBIN/aisc_mkpt -E -w pt_prototypes.h $(OBJECTS:.o=.cxx) >pt_prototypes.h.tmp ../SOURCE_TOOLS/mv_if_diff pt_prototypes.h.tmp pt_prototypes.h clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies -@rm Makefile.bak # get rid of bak (generated for some dubious reason only in this directory) .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl dlist.o: dlist.h dlist.o: types.h PT_cachehandler.o: dlist.h PT_cachehandler.o: globalprefs.h PT_cachehandler.o: hooks.h PT_cachehandler.o: pt_manualprotos.h PT_cachehandler.o: pt_prototypes.h PT_cachehandler.o: ptpan.h PT_cachehandler.o: types.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/ad_prot.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/arb_assert.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/arbdb.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/arbdb_base.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/attributes.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/PT_com.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/PT_server.h PT_cachehandler.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PT_hashing.o: dlist.h PT_hashing.o: globalprefs.h PT_hashing.o: hooks.h PT_hashing.o: pt_manualprotos.h PT_hashing.o: pt_prototypes.h PT_hashing.o: ptpan.h PT_hashing.o: types.h PT_hashing.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PT_hashing.o: $(ARBHOME)/INCLUDE/ad_prot.h PT_hashing.o: $(ARBHOME)/INCLUDE/arb_assert.h PT_hashing.o: $(ARBHOME)/INCLUDE/arbdb.h PT_hashing.o: $(ARBHOME)/INCLUDE/arbdb_base.h PT_hashing.o: $(ARBHOME)/INCLUDE/attributes.h PT_hashing.o: $(ARBHOME)/INCLUDE/PT_com.h PT_hashing.o: $(ARBHOME)/INCLUDE/PT_server.h PT_hashing.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PT_huffman.o: dlist.h PT_huffman.o: globalprefs.h PT_huffman.o: hooks.h PT_huffman.o: pt_manualprotos.h PT_huffman.o: pt_prototypes.h PT_huffman.o: ptpan.h PT_huffman.o: types.h PT_huffman.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PT_huffman.o: $(ARBHOME)/INCLUDE/ad_prot.h PT_huffman.o: $(ARBHOME)/INCLUDE/arb_assert.h PT_huffman.o: $(ARBHOME)/INCLUDE/arbdb.h PT_huffman.o: $(ARBHOME)/INCLUDE/arbdb_base.h PT_huffman.o: $(ARBHOME)/INCLUDE/attributes.h PT_huffman.o: $(ARBHOME)/INCLUDE/PT_com.h PT_huffman.o: $(ARBHOME)/INCLUDE/PT_server.h PT_huffman.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PT_lowlevel.o: dlist.h PT_lowlevel.o: globalprefs.h PT_lowlevel.o: hooks.h PT_lowlevel.o: pt_manualprotos.h PT_lowlevel.o: pt_prototypes.h PT_lowlevel.o: ptpan.h PT_lowlevel.o: types.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/ad_prot.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/arb_assert.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/arbdb.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/arbdb_base.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/attributes.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/PT_com.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/PT_server.h PT_lowlevel.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PT_treepack.o: dlist.h PT_treepack.o: globalprefs.h PT_treepack.o: hooks.h PT_treepack.o: pt_manualprotos.h PT_treepack.o: pt_prototypes.h PT_treepack.o: ptpan.h PT_treepack.o: types.h PT_treepack.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PT_treepack.o: $(ARBHOME)/INCLUDE/ad_prot.h PT_treepack.o: $(ARBHOME)/INCLUDE/arb_assert.h PT_treepack.o: $(ARBHOME)/INCLUDE/arbdb.h PT_treepack.o: $(ARBHOME)/INCLUDE/arbdb_base.h PT_treepack.o: $(ARBHOME)/INCLUDE/attributes.h PT_treepack.o: $(ARBHOME)/INCLUDE/PT_com.h PT_treepack.o: $(ARBHOME)/INCLUDE/PT_server.h PT_treepack.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_buildtree.o: dlist.h PTP_buildtree.o: globalprefs.h PTP_buildtree.o: hooks.h PTP_buildtree.o: pt_manualprotos.h PTP_buildtree.o: pt_prototypes.h PTP_buildtree.o: ptpan.h PTP_buildtree.o: types.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/attributes.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_buildtree.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_etc.o: dlist.h PTP_etc.o: globalprefs.h PTP_etc.o: hooks.h PTP_etc.o: pt_manualprotos.h PTP_etc.o: pt_prototypes.h PTP_etc.o: ptpan.h PTP_etc.o: types.h PTP_etc.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_etc.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_etc.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_etc.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_etc.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_etc.o: $(ARBHOME)/INCLUDE/attributes.h PTP_etc.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_etc.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_etc.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_etc.o: $(ARBHOME)/INCLUDE/struct_man.h PTP_family.o: dlist.h PTP_family.o: globalprefs.h PTP_family.o: hooks.h PTP_family.o: pt_manualprotos.h PTP_family.o: pt_prototypes.h PTP_family.o: ptpan.h PTP_family.o: types.h PTP_family.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_family.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_family.o: $(ARBHOME)/INCLUDE/ad_t_prot.h PTP_family.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_family.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_family.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_family.o: $(ARBHOME)/INCLUDE/arbdbt.h PTP_family.o: $(ARBHOME)/INCLUDE/attributes.h PTP_family.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_family.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_family.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_family.o: $(ARBHOME)/INCLUDE/struct_man.h PTP_findEx.o: dlist.h PTP_findEx.o: globalprefs.h PTP_findEx.o: hooks.h PTP_findEx.o: pt_manualprotos.h PTP_findEx.o: pt_prototypes.h PTP_findEx.o: ptpan.h PTP_findEx.o: types.h PTP_findEx.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_findEx.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_findEx.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_findEx.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_findEx.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_findEx.o: $(ARBHOME)/INCLUDE/attributes.h PTP_findEx.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_findEx.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_findEx.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_io.o: dlist.h PTP_io.o: globalprefs.h PTP_io.o: hooks.h PTP_io.o: pt_manualprotos.h PTP_io.o: pt_prototypes.h PTP_io.o: ptpan.h PTP_io.o: types.h PTP_io.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_io.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_io.o: $(ARBHOME)/INCLUDE/ad_t_prot.h PTP_io.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_io.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_io.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_io.o: $(ARBHOME)/INCLUDE/arbdbt.h PTP_io.o: $(ARBHOME)/INCLUDE/attributes.h PTP_io.o: $(ARBHOME)/INCLUDE/BI_helix.hxx PTP_io.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_io.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_main.o: dlist.h PTP_main.o: globalprefs.h PTP_main.o: hooks.h PTP_main.o: pt_manualprotos.h PTP_main.o: pt_prototypes.h PTP_main.o: ptpan.h PTP_main.o: types.h PTP_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_main.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_main.o: $(ARBHOME)/INCLUDE/ad_t_prot.h PTP_main.o: $(ARBHOME)/INCLUDE/aisc_func_types.h PTP_main.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_main.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_main.o: $(ARBHOME)/INCLUDE/arbdbt.h PTP_main.o: $(ARBHOME)/INCLUDE/attributes.h PTP_main.o: $(ARBHOME)/INCLUDE/client.h PTP_main.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_main.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_main.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_main.o: $(ARBHOME)/INCLUDE/server.h PTP_main.o: $(ARBHOME)/INCLUDE/servercntrl.h PTP_main.o: $(ARBHOME)/INCLUDE/struct_man.h PTP_match.o: dlist.h PTP_match.o: globalprefs.h PTP_match.o: hooks.h PTP_match.o: pt_manualprotos.h PTP_match.o: pt_prototypes.h PTP_match.o: ptpan.h PTP_match.o: types.h PTP_match.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_match.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_match.o: $(ARBHOME)/INCLUDE/ad_t_prot.h PTP_match.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_match.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_match.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_match.o: $(ARBHOME)/INCLUDE/arbdbt.h PTP_match.o: $(ARBHOME)/INCLUDE/attributes.h PTP_match.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_match.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_match.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_match.o: $(ARBHOME)/INCLUDE/struct_man.h PTP_new_design.o: dlist.h PTP_new_design.o: globalprefs.h PTP_new_design.o: hooks.h PTP_new_design.o: pt_manualprotos.h PTP_new_design.o: pt_prototypes.h PTP_new_design.o: ptpan.h PTP_new_design.o: types.h PTP_new_design.o: $(ARBHOME)/INCLUDE/ad_k_prot.h PTP_new_design.o: $(ARBHOME)/INCLUDE/ad_prot.h PTP_new_design.o: $(ARBHOME)/INCLUDE/ad_t_prot.h PTP_new_design.o: $(ARBHOME)/INCLUDE/arb_assert.h PTP_new_design.o: $(ARBHOME)/INCLUDE/arbdb.h PTP_new_design.o: $(ARBHOME)/INCLUDE/arbdb_base.h PTP_new_design.o: $(ARBHOME)/INCLUDE/arbdbt.h PTP_new_design.o: $(ARBHOME)/INCLUDE/attributes.h PTP_new_design.o: $(ARBHOME)/INCLUDE/PT_com.h PTP_new_design.o: $(ARBHOME)/INCLUDE/PT_server.h PTP_new_design.o: $(ARBHOME)/INCLUDE/PT_server_prototypes.h PTP_new_design.o: $(ARBHOME)/INCLUDE/struct_man.h ./arbsrc_9167/ptpan/pd.makefile0000644012664100000130000000041711213220012016345 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben pd: probe_debug.o ../PROBE_COM/client.a CC -g -o $@ probe_debug.o ../PROBE_COM/client.a probe_debug.o: probe_debug.cxx ../INCLUDE/PT_com.h CC -c -g -o $@ probe_debug.cxx -I../INCLUDE ./arbsrc_9167/ptpan/PT_cachehandler.cxx0000644012664100000130000001417411213220012020000 0ustar arb_buildcoders#include // #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" /* /// "AllocCacheHandler()" */ struct CacheHandler * AllocCacheHandler(void) { struct CacheHandler *ch; ch = (struct CacheHandler *) calloc(sizeof(struct CacheHandler), 1); if(!ch) { return(NULL); /* out of memory */ } /* freshly initialize a cache handler */ NewList(&ch->ch_UsedNodes); NewList(&ch->ch_FreeNodes); return(ch); } /* \\\ */ /* /// "FreeCacheHandler()" */ void FreeCacheHandler(struct CacheHandler *ch) { struct CacheNode *cn; /* NOTE: Does NOT flush the cache! */ /* free memory in used node cache */ cn = (struct CacheNode *) ch->ch_UsedNodes.lh_Head; while(cn->cn_Node.ln_Succ) { Remove(&cn->cn_Node); freeset(cn, (struct CacheNode *) ch->ch_UsedNodes.lh_Head); } /* free memory in free node cache */ cn = (struct CacheNode *) ch->ch_FreeNodes.lh_Head; while(cn->cn_Node.ln_Succ) { Remove(&cn->cn_Node); freeset(cn, (struct CacheNode *) ch->ch_FreeNodes.lh_Head); } /* free structure itself */ free(ch); } /* \\\ */ /* /// "CacheLoadData()" */ struct CacheNode * CacheLoadData(struct CacheHandler *ch, struct CacheNode *cn, APTR ud) { struct CacheNode *firstcn; struct CacheNode *secondcn; ULONG memused; if(ch->ch_CacheDisabled && ch->ch_LastNode) { /* unload last node, if cache was disabled */ CacheUnloadData(ch, ch->ch_LastNode); ch->ch_LastNode = NULL; } /* allocate CacheNode, if not allocated already */ if(!cn) { cn = (struct CacheNode *) calloc(sizeof(struct CacheNode), 1); if(!cn) { return(NULL); } } else { Remove(&cn->cn_Node); /* unlink first */ } /* only fill in user data, if given, preventing overwrite */ if(ud) { cn->cn_UserData = ud; } cn->cn_Node.ln_Pri++; /* how often was this thing used? */ cn->cn_LastUseID = ++ch->ch_AccessID; /* set last access */ if(cn->cn_Loaded) /* check if already loaded */ { AddTail(&ch->ch_UsedNodes, &cn->cn_Node); /* move to the end of the list */ return(cn); /* no need to load, we're done */ } /* do we need to unload some bits? */ memused = (*ch->ch_SizeFunc)(ch, cn->cn_UserData); while((ch->ch_MemUsage + memused > ch->ch_MaxCapacity) && (ch->ch_UsedNodes.lh_Head->ln_Succ) && (!ch->ch_CacheDisabled)) { /* capacity exhausted, must unload */ ULONG remmemused; firstcn = (struct CacheNode *) ch->ch_UsedNodes.lh_Head; secondcn = (struct CacheNode *) firstcn->cn_Node.ln_Succ; if(secondcn->cn_Node.ln_Succ) /* there are at least two nodes, check which one to kill */ { if(firstcn->cn_Node.ln_Pri > secondcn->cn_Node.ln_Pri) { //printf("Second"); firstcn = secondcn; /* the second one loses */ } else { //printf("First"); } } else { //printf("Only"); } Remove(&firstcn->cn_Node); /* unlink anyway */ /* get size of data */ remmemused = (*ch->ch_SizeFunc)(ch, firstcn->cn_UserData); if((*ch->ch_UnloadFunc)(ch, firstcn->cn_UserData)) { /* data unloaded successfully */ //printf(" unloaded!\n"); ch->ch_SwapCount++; ch->ch_MemUsage -= remmemused; /* move the node to the unused list */ AddTail(&ch->ch_FreeNodes, &firstcn->cn_Node); firstcn->cn_Loaded = FALSE; } else { /* unload failed, move node to the end of the queue */ //printf(" unload failed!\n"); AddTail(&ch->ch_UsedNodes, &firstcn->cn_Node); /* avoid infinite loop */ if(!secondcn) { //printf("Bailing out!\n"); break; } } } /* now load the data */ if((*ch->ch_LoadFunc)(ch, cn->cn_UserData)) { /* loading successful */ ch->ch_MemUsage += memused; //printf("Successfully loaded (%ld/%ld)\n", memused, ch->ch_MemUsage); cn->cn_Loaded = TRUE; AddTail(&ch->ch_UsedNodes, &cn->cn_Node); if(ch->ch_CacheDisabled) { ch->ch_LastNode = cn; } return(cn); /* no need to load, we're done */ } else { /* loading failed */ //printf("Loading failed (%ld)\n", memused); AddTail(&ch->ch_FreeNodes, &cn->cn_Node); return(cn); } } /* \\\ */ /* /// "CacheMemUsage()" */ ULONG CacheMemUsage(struct CacheHandler *ch) { return(ch->ch_MemUsage); } /* \\\ */ /* /// "DisableCache()" */ void DisableCache(struct CacheHandler *ch) { ch->ch_CacheDisabled = TRUE; } /* \\\ */ /* /// "DisableCache()" */ void EnableCache(struct CacheHandler *ch) { ch->ch_CacheDisabled = FALSE; } /* \\\ */ /* /// "CacheDataLoaded()" */ BOOL CacheDataLoaded(struct CacheNode *cn) { /* if cn == NULL, it's not loaded for sure */ if(!cn) { return(FALSE); } return(cn->cn_Loaded); } /* \\\ */ /* /// "FreeCacheNode()" */ void FreeCacheNode(struct CacheHandler *ch, struct CacheNode *cn) { if(!cn) { return; /* ignore null pointers */ } if(cn->cn_Loaded) /* unload data first */ { CacheUnloadData(ch, cn); } /* remove from list */ Remove(&cn->cn_Node); free(cn); } /* \\\ */ /* /// "CacheUnloadData()" */ BOOL CacheUnloadData(struct CacheHandler *ch, struct CacheNode *cn) { ULONG memused; if(!cn) { return(FALSE); /* null pointer */ } if(!cn->cn_Loaded) { return(FALSE); /* not loaded */ } /* try to unload the data */ memused = (*ch->ch_SizeFunc)(ch, cn->cn_UserData); if((*ch->ch_UnloadFunc)(ch, cn->cn_UserData)) { //printf("Unloaded %ld\n", memused); ch->ch_MemUsage -= memused; /* we actually unloaded the data */ /* move the node to the unused list */ Remove(&cn->cn_Node); AddTail(&ch->ch_FreeNodes, &cn->cn_Node); cn->cn_Loaded = FALSE; } return(TRUE); } /* \\\ */ /* /// "FlushCache()" */ ULONG FlushCache(struct CacheHandler *ch) { struct CacheNode *cn; struct CacheNode *nextcn; ULONG oldmemused = ch->ch_MemUsage; /* traverse nodes and call UnloadFunc for each of them */ cn = (struct CacheNode *) ch->ch_UsedNodes.lh_Head; while(cn->cn_Node.ln_Succ) { nextcn = (struct CacheNode *) cn->cn_Node.ln_Succ; CacheUnloadData(ch, cn); cn = nextcn; } return(oldmemused - ch->ch_MemUsage); } /* \\\ */ ./arbsrc_9167/ptpan/PT_hashing.cxx0000644012664100000130000000671111440743000017027 0ustar arb_buildcoders#include #include #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" /* /// "AllocHashArray()" */ struct HashArray * AllocHashArray(ULONG size) { struct HashArray *ha; ha = (struct HashArray *) calloc(1, sizeof(struct HashArray)); if(ha) { ha->ha_Array = (struct HashEntry *) calloc(size, sizeof(struct HashEntry)); if(ha->ha_Array) { ha->ha_InitialSize = ha->ha_Size = size; return(ha); } freeset(ha, NULL); } return(ha); } /* \\\ */ /* /// "FreeHashArray()" */ void FreeHashArray(struct HashArray *ha) { if(!ha) { return; } free(ha->ha_Array); free(ha); } /* \\\ */ /* /// "ClearHashArray()" */ void ClearHashArray(struct HashArray *ha) { memset(ha->ha_Array, 0, ha->ha_Size * sizeof(struct HashEntry)); ha->ha_InitialSize = ha->ha_Size; ha->ha_Used = 0; } /* \\\ */ /* /// "GetHashEntry()" */ struct HashEntry * GetHashEntry(struct HashArray *ha, ULONG hashkey) { struct HashEntry *he; ULONG tmpkey = hashkey; ULONG size = ha->ha_Size; hashkey++; /* avoid zero */ do { he = &ha->ha_Array[tmpkey++ % size]; if(!he->he_Key) { if(size > ha->ha_InitialSize) { size /= 2; tmpkey = hashkey-1; } else { return(NULL); } } if(he->he_Key == hashkey) { return(he); } } while(TRUE); return(NULL); } /* \\\ */ /* /// "EnlargeHashArray() */ BOOL EnlargeHashArray(struct HashArray *ha) { struct HashEntry *newarray; newarray = (struct HashEntry *) realloc(ha->ha_Array, ((ha->ha_Size<<1)+1) * sizeof(struct HashEntry)); printf("doubling size!\n"); if(newarray) { memset(&newarray[ha->ha_Size], 0, (ha->ha_Size + 1) * sizeof(struct HashEntry)); ha->ha_Size += ha->ha_Size + 1; ha->ha_Array = newarray; return(TRUE); } return(FALSE); } /* \\\ */ /* /// "InsertHashEntry()" */ BOOL InsertHashEntry(struct HashArray *ha, ULONG hashkey, ULONG data) { ULONG size = ha->ha_Size; ULONG maxnext = (ULONG) sqrt((double) size); struct HashEntry *he; ULONG tmpkey = hashkey; if(ha->ha_Used > (size >> 1)) /* if hash table > 50% full, resize */ { EnlargeHashArray(ha); size = ha->ha_Size; } hashkey++; /* avoid zero */ do { he = &ha->ha_Array[tmpkey++ % size]; if(!he->he_Key) { he->he_Key = hashkey; he->he_Data = data; ha->ha_Used++; return(TRUE); } } while(--maxnext); /* okay, this is a very bad case of collisions in a row */ if(ha->ha_InitialSize < ha->ha_Size) { /* try to clean things up first */ struct HashEntry *oldarray = ha->ha_Array; ULONG cnt; ha->ha_Array = (struct HashEntry *) calloc(ha->ha_Size, sizeof(struct HashEntry)); if(ha->ha_Array) { ha->ha_InitialSize = ha->ha_Size; /* avoid running into this part a second time */ /* insert stuff from scratch */ for(cnt = 0; cnt < ha->ha_Size; cnt++) { if(oldarray[cnt].he_Key) { InsertHashEntry(ha, oldarray[cnt].he_Key - 1, oldarray[cnt].he_Data); } } free(oldarray); return(InsertHashEntry(ha, hashkey - 1, data)); } } else { /* bad. increase size as last resort. */ if(EnlargeHashArray(ha)) { return(InsertHashEntry(ha, hashkey - 1, data)); } else { /* okay, we tried everything */ return(FALSE); } } return(FALSE); } /* \\\ */ ./arbsrc_9167/ptpan/PT_huffman.cxx0000644012664100000130000001707011213220012017021 0ustar arb_buildcoders#include #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" /* /// "BuildHuffmanCodeRec()" */ void BuildHuffmanCodeRec(struct HuffCode *hcbase, struct HuffCodeInternal *hc, ULONG len, ULONG rootidx, ULONG codelen, ULONG code) { ULONG idx; idx = hc[rootidx].hc_Left; if(idx < len) // left is leaf? { hcbase[hc[idx].hc_ID].hc_CodeLength = codelen; hcbase[hc[idx].hc_ID].hc_Codec = code; } else { BuildHuffmanCodeRec(hcbase, hc, len, idx, codelen + 1, code << 1); } code ^= 1; idx = hc[rootidx].hc_Right; if(idx < len) // right is leaf? { hcbase[hc[idx].hc_ID].hc_CodeLength = codelen; hcbase[hc[idx].hc_ID].hc_Codec = code; } else { BuildHuffmanCodeRec(hcbase, hc, len, idx, codelen + 1, code << 1); } } /* \\\ */ /* /// "BuildHuffmanCode()" */ BOOL BuildHuffmanCode(struct HuffCode *hcbase, ULONG len, LONG threshold) { ULONG cnt; ULONG w; ULONG min0idx, min0val; ULONG min1idx, min1val; struct HuffCodeInternal *hc; ULONG newlen; ULONG xtrlen; ULONG rootidx; ULONG total = 0; BOOL take; /* generate huffman tree. I know this is not the fastest routine as it doesn't sort the array prior to building the tree, but as we are speaking of very small trees this should not be a problem */ /* calculate total weight */ newlen = 0; for(cnt = 0; cnt < len; cnt++) { if((w = hcbase[cnt].hc_Weight)) { if(((LONG) w) >= threshold) /* check, if we've got a threshold and need to skip it */ { newlen++; total += w; } } } if(!newlen) { return(FALSE); } hc = (struct HuffCodeInternal *) calloc(newlen << 1, sizeof(struct HuffCodeInternal)); if(!hc) { printf("ARGHGHH! No temporary memory for huffman tree!\n"); return(FALSE); } rootidx = xtrlen = 0; for(cnt = 0; cnt < len; cnt++) { if((w = hcbase[cnt].hc_Weight)) { hc[xtrlen].hc_Weight = w; take = TRUE; if(threshold) { if(threshold < 0) /* automatic threshold calculation */ { if(w*3 <= (total / newlen)) /* make less popular codes uniformly */ { hc[xtrlen].hc_Weight = 1; /* reduce weight, but keep it */ } } else if(w < (ULONG) threshold) /* hard threshold -- don't generate code for this weight */ { take = FALSE; } } if(take) { hc[xtrlen++].hc_ID = cnt; } } } do { /* now choose the two items with the smallest weight != 0 */ min0idx = min0val = 0xffffffff; min1idx = min1val = 0xffffffff; for(cnt = 0; cnt < xtrlen; cnt++) { w = hc[cnt].hc_Weight; if(w) { if(w < min0val) { min1val = min0val; min1idx = min0idx; min0val = w; min0idx = cnt; } else if(w < min1val) { min1val = w; min1idx = cnt; } } } if(min1idx == 0xffffffff) { break; } /* merge these nodes */ hc[xtrlen].hc_Weight = min0val + min1val; hc[xtrlen].hc_Left = min0idx; hc[xtrlen].hc_Right = min1idx; hc[min0idx].hc_Weight = 0; hc[min1idx].hc_Weight = 0; rootidx = xtrlen++; } while(TRUE); //printf("Codespace: %ld, codes generated: %ld\n", len, newlen); /* now generate codes */ BuildHuffmanCodeRec(hcbase, hc, newlen, rootidx, 1, 0); /* generate average code length for debugging */ #if 0 { float clen = 0; for(cnt = 0; cnt < len; cnt++) { clen += hcbase[cnt].hc_Weight * hcbase[cnt].hc_CodeLength; } printf("Average code length: %f\n", clen / ((float) total)); } #endif free(hc); return(TRUE); } /* \\\ */ /* /// "WriteHuffmanTree()" */ void WriteHuffmanTree(struct HuffCode *hc, ULONG size, FILE *fh) { ULONG cnt; fwrite(&size, sizeof(size), 1, fh); for(cnt = 0; cnt < size; cnt++) { if(hc[cnt].hc_CodeLength) { fwrite(&cnt, sizeof(cnt), 1, fh); fwrite(&hc[cnt].hc_CodeLength, sizeof(hc[cnt].hc_CodeLength), 1, fh); fwrite(&hc[cnt].hc_Codec, sizeof(hc[cnt].hc_Codec), 1, fh); } } cnt = ~0UL; fwrite(&cnt, sizeof(cnt), 1, fh); } /* \\\ */ /* /// "ReadHuffmanTree()" */ struct HuffTree * ReadHuffmanTree(FILE *fh) { struct HuffTree *ht; struct HuffTree *root; ULONG maxid; ULONG cnt; UWORD codelen; ULONG codec; UWORD depth; UWORD leafbit; root = (struct HuffTree *) calloc(sizeof(struct HuffTree), 1); if(!root) { return(NULL); /* out of memory */ } /* read length first (not used) */ fread(&maxid, sizeof(maxid), 1, fh); do { fread(&cnt, sizeof(cnt), 1, fh); if(cnt == ~0UL) { break; } fread(&codelen, sizeof(codelen), 1, fh); fread(&codec, sizeof(codec), 1, fh); /* build leaf from the root going down */ ht = root; depth = 0; while(depth++ < codelen) { leafbit = (codec >> (codelen - depth)) & 1; if(!ht->ht_Child[leafbit]) { if(!(ht->ht_Child[leafbit] = (struct HuffTree *) calloc(sizeof(struct HuffTree), 1))) { return(NULL); /* out of memory */ } } ht = ht->ht_Child[leafbit]; } /* got to the leaf */ ht->ht_ID = cnt; /* these are not really needed, but codelength is used to check if this is a leaf */ ht->ht_Codec = codec; ht->ht_CodeLength = codelen; if(ht->ht_Child[0] || ht->ht_Child[1]) /* debugging purposes */ { printf("Huffman tree does not comply to the fano condition (%ld: %08lx, %d)!\n", cnt, codec, codelen); } } while(TRUE); return(root); } /* \\\ */ /* /// "BuildHuffmanTreeFromTable()" */ struct HuffTree * BuildHuffmanTreeFromTable(struct HuffCode *hc, ULONG maxid) { struct HuffTree *ht; struct HuffTree *root; ULONG cnt; UWORD codelen; ULONG codec; UWORD depth; UWORD leafbit; root = (struct HuffTree *) calloc(sizeof(struct HuffTree), 1); if(!root) { return(NULL); /* out of memory */ } for(cnt = 0; cnt < maxid; cnt++) { if((codelen = hc[cnt].hc_CodeLength)) { codec = hc[cnt].hc_Codec; /* build leaf from the root going down */ ht = root; depth = 0; while(depth++ < codelen) { leafbit = (codec >> (codelen - depth)) & 1; if(!ht->ht_Child[leafbit]) { if(!(ht->ht_Child[leafbit] = (struct HuffTree *) calloc(sizeof(struct HuffTree), 1))) { return(NULL); /* out of memory */ } } ht = ht->ht_Child[leafbit]; } /* got to the leaf */ ht->ht_ID = cnt; /* these are not really needed, but codelength is used to check if this is a leaf */ ht->ht_Codec = codec; ht->ht_CodeLength = codelen; if(ht->ht_Child[0] || ht->ht_Child[1]) /* debugging purposes */ { printf("Huffman tree does not comply to the fano condition (%ld: %08lx, %d)!\n", cnt, codec, codelen); } } } return(root); } /* \\\ */ /* /// "FreeHuffmanTree()" */ void FreeHuffmanTree(struct HuffTree *root) { if(!root) { return; } FreeHuffmanTree(root->ht_Child[0]); FreeHuffmanTree(root->ht_Child[1]); free(root); } /* \\\ */ /* /// "FindHuffTreeID()" */ struct HuffTree * FindHuffTreeID(struct HuffTree *ht, UBYTE *adr, ULONG bitpos) { adr += bitpos >> 3; bitpos &= 7; while(!ht->ht_CodeLength) { ht = ht->ht_Child[(*adr >> (7 - bitpos)) & 1]; if(++bitpos > 7) { adr++; bitpos = 0; } } return(ht); } /* \\\ */ ./arbsrc_9167/ptpan/PT_lowlevel.cxx0000644012664100000130000000330111213220012017216 0ustar arb_buildcoders#include #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" /* /// "WriteBits()" */ ULONG WriteBits(UBYTE *adr, ULONG bitpos, ULONG code, UWORD len) { UBYTE *badr = &adr[bitpos >> 3]; ULONG newbitpos = bitpos+len; UWORD bitfrac = 8 - (bitpos & 7); /* initial first byte */ if(bitfrac == 8) { *badr = 0; } if((len >= bitfrac) && (bitfrac < 8)) { *badr++ |= code >> (len - bitfrac); len -= bitfrac; bitpos += bitfrac; } else { if(len < 8) { *badr |= code << (bitfrac - len); return(newbitpos); } } /* whole bytes */ while(len > 7) { len -= 8; *badr++ = code >> len; } /* last fraction */ if(len) { *badr = code << (8 - len); } return(newbitpos); } /* \\\ */ #define ReadBit(adr, bitpos) ((adr[bitpos >> 3] >> (7 - (bitpos & 7))) & 1) /* /// "ReadBits()" */ ULONG ReadBits(UBYTE *adr, ULONG bitpos, UWORD len) { UBYTE *badr = &adr[bitpos >> 3]; UWORD bitfrac = bitpos & 7; ULONG res = 0; /*printf("BPos: %ld, Len %d, frac %d [%02x %02x %02x %02x %02x]\n", bitpos, len, bitfrac, badr[0], badr[1], badr[2], badr[3], badr[4]);*/ /* initial first byte */ if(len + bitfrac < 8) { return(((*badr << bitfrac) & 0xFF) >> (8 - len)); } res = *badr++ & (0xFF >> bitfrac); //printf("First: %lx ", res); len -= (8 - bitfrac); while(len > 7) { res <<= 8; res |= *badr++; len -= 8; } //printf("Middle: %lx ", res); /* last fraction */ if(len) { res <<= len; res |= *badr >> (8 - len); } //printf("Res: %08lx\n", res); return(res); } /* \\\ */ ./arbsrc_9167/ptpan/pt_manualprotos.h0000644012664100000130000002343411213220012017647 0ustar arb_buildcodersBOOL BuildStdSuffixTree(struct PTPanGlobal *pg); BOOL BuildMemoryStdSuffixTree(struct PTPanPartition *pp); ULONG FindStdSfxChildNode(struct PTPanPartition *pp, ULONG nodenum, ULONG pos); ULONG SplitStdSfxNode(struct PTPanPartition *pp, ULONG leafnum); ULONG FindStdSfxNode(struct PTPanPartition *pp, ULONG snum, ULONG &sfxstart, ULONG sfxend); ULONG FastFindStdSfxNode(struct PTPanPartition *pp, ULONG snum, ULONG sfxstart, ULONG sfxend); ULONG InsertStdSfxNode(struct PTPanPartition *pp, ULONG sfxstart, ULONG sfxend, ULONG parnum); BOOL BuildPTPanIndex(struct PTPanGlobal *pg); BOOL BuildMergedDatabase(struct PTPanGlobal *pg); BOOL PartitionPrefixScan(struct PTPanGlobal *pg); BOOL CreateTreeForPartition(struct PTPanPartition *pp); BOOL BuildMemoryTree(struct PTPanPartition *pp); ULONG CommonSequenceLength(struct PTPanPartition *pp, ULONG spos1, ULONG spos2, ULONG maxlen); LONG CompareCompressedSequence(struct PTPanGlobal *pg, ULONG spos1, ULONG spos2); BOOL InsertTreePos(struct PTPanPartition *pp, ULONG pos, ULONG window); BOOL CalculateTreeStats(struct PTPanPartition *pp); void GetTreeStatsDebugRec(struct PTPanPartition *pp, ULONG pos, ULONG level); void GetTreeStatsTreeDepthRec(struct PTPanPartition *pp, ULONG pos, ULONG level); void GetTreeStatsLevelRec(struct PTPanPartition *pp, ULONG pos, ULONG level); void GetTreeStatsShortEdgesRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen); void GetTreeStatsLongEdgesRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen); void GetTreeStatsBranchHistoRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen); void GetTreeStatsVerifyRec(struct PTPanPartition *pp, ULONG pos, ULONG treepos, ULONG hash); ULONG GetTreeStatsLeafCountRec(struct PTPanPartition *pp, ULONG pos); void GetTreeStatsLeafCollectRec(struct PTPanPartition *pp, ULONG pos); LONG LongEdgeLengthCompare(const struct SfxNode **node1, const struct SfxNode **node2); LONG LongEdgePosCompare(const struct SfxNode **node1, const struct SfxNode **node2); LONG LongEdgeLabelCompare(struct SfxNode **node1, struct SfxNode **node2); ULONG GetSeqHash(struct PTPanGlobal *pg, ULONG seqpos, ULONG len, ULONG hash); ULONG GetSeqHashBackwards(struct PTPanGlobal *pg, ULONG seqpos, ULONG len, ULONG hash); BOOL CheckLongEdgeMatch(struct PTPanPartition *pp, ULONG seqpos, ULONG edgelen, ULONG dictpos); BOOL BuildLongEdgeDictionary(struct PTPanPartition *pp); BOOL WriteTreeToDisk(struct PTPanPartition *pp); BOOL CreatePartitionLookup(struct PTPanGlobal *pg); struct CacheHandler * AllocCacheHandler(void); void FreeCacheHandler(struct CacheHandler *ch); struct CacheNode * CacheLoadData(struct CacheHandler *ch, struct CacheNode *cn, APTR ud); ULONG CacheMemUsage(struct CacheHandler *ch); void DisableCache(struct CacheHandler *ch); void EnableCache(struct CacheHandler *ch); BOOL CacheDataLoaded(struct CacheNode *cn); void FreeCacheNode(struct CacheHandler *ch, struct CacheNode *cn); BOOL CacheUnloadData(struct CacheHandler *ch, struct CacheNode *cn); ULONG FlushCache(struct CacheHandler *ch); void SetARBErrorMsg(PT_local *locs, const STRPTR error); extern "C" STRPTR virt_name(PT_probematch *ml); extern "C" STRPTR virt_fullname(PT_probematch *ml); extern "C" int PT_find_exProb(PT_exProb *pep); struct HashArray * AllocHashArray(ULONG size); void FreeHashArray(struct HashArray *ha); void ClearHashArray(struct HashArray *ha); struct HashEntry * GetHashEntry(struct HashArray *ha, ULONG hashkey); BOOL EnlargeHashArray(struct HashArray *ha); BOOL InsertHashEntry(struct HashArray *ha, ULONG hashkey, ULONG data); void BuildHuffmanCodeRec(struct HuffCode *hcbase, struct HuffCodeInternal *hc, ULONG len, ULONG rootidx, ULONG codelen, ULONG code); BOOL BuildHuffmanCode(struct HuffCode *hcbase, ULONG len, LONG threshold); void WriteHuffmanTree(struct HuffCode *hc, ULONG size, FILE *fh); struct HuffTree * ReadHuffmanTree(FILE *fh); struct HuffTree * BuildHuffmanTreeFromTable(struct HuffCode *hc, ULONG maxid); void FreeHuffmanTree(struct HuffTree *root); struct HuffTree * FindHuffTreeID(struct HuffTree *ht, UBYTE *adr, ULONG bitpos); ULONG BenchTimePassed(struct PTPanGlobal *pg); void BenchOutput(struct PTPanGlobal *pg); ULONG GetSequenceRelPos(struct PTPanGlobal *pg, STRPTR srcseq, ULONG abspos); ULONG GetSequenceAbsPos(struct PTPanGlobal *pg, STRPTR srcseq, ULONG relpos); ULONG CalcLengthForFilteredSequence(struct PTPanGlobal *pg, STRPTR srcseq); ULONG FilterSequenceTo(struct PTPanGlobal *pg, STRPTR srcstr, STRPTR filtptr); STRPTR FilterSequence(struct PTPanGlobal *pg, STRPTR srcseq); ULONG CompressSequenceTo(struct PTPanGlobal *pg, STRPTR srcseq, ULONG *seqptr); ULONG * CompressSequence(struct PTPanGlobal *pg, STRPTR srcseq); ULONG GetLengthOfCompressedSequence(struct PTPanGlobal *pg, ULONG *seqptr); UWORD GetCompressedLongSize(struct PTPanGlobal *pg, ULONG pval); ULONG DecompressSequenceTo(struct PTPanGlobal *pg, ULONG *seqptr, STRPTR tarseq); ULONG DecompressCompressedLongTo(struct PTPanGlobal *pg, ULONG pval, STRPTR tarseq); STRPTR DecompressSequence(struct PTPanGlobal *pg, ULONG *seqptr); LONG DecompressSequencePartTo(struct PTPanGlobal *pg, ULONG *seqptr, ULONG seqpos, ULONG length, STRPTR tarseq); void ComplementSequence(struct PTPanGlobal *pg, STRPTR seqstr); void ReverseSequence(struct PTPanGlobal *, STRPTR seqstr); BOOL OpenDataBase(struct PTPanGlobal *pg); BOOL LoadEcoliSequence(struct PTPanGlobal *pg); void FreeAllSpecies(struct PTPanGlobal *pg); BOOL CacheSpeciesLoad(struct CacheHandler *, struct PTPanSpecies *ps); BOOL CacheSpeciesUnload(struct CacheHandler *, struct PTPanSpecies *ps); ULONG CacheSpeciesSize(struct CacheHandler *, struct PTPanSpecies *ps); BOOL LoadSpecies(struct PTPanGlobal *pg); BOOL LoadIndexHeader(struct PTPanGlobal *pg); BOOL LoadAllPartitions(struct PTPanGlobal *pg); void FreeAllPartitions(struct PTPanGlobal *pg); ULONG WriteBits(UBYTE *adr, ULONG bitpos, ULONG code, UWORD len); ULONG ReadBits(UBYTE *adr, ULONG bitpos, UWORD len); struct PTPanGlobal * AllocPTPanGlobal(void); void FreePTPanGlobal(struct PTPanGlobal *pg); void SearchPartition(struct PTPanPartition *pp, struct SearchQuery *sq); void QueryTests(struct PTPanGlobal *pg); extern "C" int probe_match(PT_local *locs, aisc_string probestring); void SortHitsList(struct SearchQuery *sq); ULONG GetSpeciesRelPos(struct PTPanGlobal *pg, struct PTPanSpecies *ps, ULONG abspos); void CreateHitsGUIList(struct SearchQuery *sq); extern "C" STRPTR get_match_info(PT_probematch *ml); STRPTR GetMatchListHeader(STRPTR seq); extern "C" STRPTR get_match_hinfo(PT_probematch *); extern "C" STRPTR c_get_match_hinfo(PT_probematch *); extern "C" bytestring * match_string(PT_local *locs); extern "C" bytestring * MP_match_string(PT_local *locs); extern "C" bytestring * MP_all_species_string(PT_local *); extern "C" int MP_count_all_species(PT_local *); ULONG MarkSpeciesGroup(struct PTPanGlobal *pg, STRPTR specnames); struct DesignQuery * AllocDesignQuery(struct PTPanGlobal *pg); void FreeDesignQuery(struct DesignQuery *dq); struct DesignHit * AddDesignHit(struct DesignQuery *dq); void RemDesignHit(struct DesignHit *dh); void CalcProbeQuality(struct DesignQuery *dq); BOOL FindProbeInPartition(struct DesignQuery *dq); extern "C" int PT_start_design(PT_pdc *pdc, int); BOOL WriteIndexHeader(struct PTPanGlobal *pg); BOOL WriteTreeHeader(struct PTPanPartition *pp); BOOL CachePartitionLoad(struct CacheHandler *, struct PTPanPartition *pp); void CachePartitionUnload(struct CacheHandler *, struct PTPanPartition *pp); ULONG CachePartitionSize(struct CacheHandler *, struct PTPanPartition *pp); BOOL WriteStdSuffixTreeHeader(struct PTPanPartition *pp); BOOL CacheStdSuffixPartitionLoad(struct CacheHandler *, struct PTPanPartition *pp); void CacheStdSuffixPartitionUnload(struct CacheHandler *, struct PTPanPartition *pp); ULONG FixRelativePointersRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen); LONG ULONGCompare(const ULONG *node1, const ULONG *node2); ULONG CalcPackedNodeSize(struct PTPanPartition *pp, ULONG pos); ULONG CalcPackedLeafSize(struct PTPanPartition *pp, ULONG pos); void DebugTreeNode(struct TreeNode *tn); void GetTreePath(struct TreeNode *tn, STRPTR strptr, ULONG len); struct TreeNode * GoDownNodeChild(struct TreeNode *oldtn, UWORD seqcode); struct TreeNode * GoDownNodeChildNoEdge(struct TreeNode *oldtn, UWORD seqcode); struct TreeNode * ReadPackedNode(struct PTPanPartition *pp, ULONG pos); struct TreeNode * ReadPackedNodeNoEdge(struct PTPanPartition *pp, ULONG pos); struct TreeNode * ReadPackedLeaf(struct PTPanPartition *pp, ULONG pos); ULONG WritePackedNode(struct PTPanPartition *pp, ULONG pos, UBYTE *buf); ULONG WritePackedLeaf(struct PTPanPartition *pp, ULONG pos, UBYTE *buf); struct SearchQuery * CloneSearchQuery(struct SearchQuery *oldsq); struct SearchQuery * AllocSearchQuery(struct PTPanGlobal *pg); void FreeSearchQuery(struct SearchQuery *sq); void SearchTree(struct SearchQuery *sq); void PostFilterQueryHits(struct SearchQuery *sq); BOOL AddQueryHit(struct SearchQuery *sq, ULONG hitpos); void RemQueryHit(struct QueryHit *qh); void MergeQueryHits(struct SearchQuery *tarsq, struct SearchQuery *srcsq); void SearchTreeRec(struct SearchQuery *sq); void CollectTreeRec(struct SearchQuery *sq); BOOL MatchSequence(struct SearchQuery *sq); BOOL MatchSequenceRec(struct SearchQuery *sq); BOOL FindSequenceMatch(struct SearchQuery *sq, struct QueryHit *qh, STRPTR tarstr); BOOL FindSequenceMatchRec(struct SearchQuery *sq, struct QueryHit *qh, STRPTR tarptr); void NewList(struct List *lh); void AddHead(struct List *lh, struct Node *nd); void AddTail(struct List *lh, struct Node *nd); void Remove(struct Node *nd); LONG NodePriCompare(const struct Node **node1, const struct Node **node2); BOOL SortList(struct List *lh); struct BinTree * BuildBinTreeRec(struct Node **nodearr, ULONG left, ULONG right); struct BinTree * BuildBinTree(struct List *list); void FreeBinTree(struct BinTree *root); struct Node *FindBinTreeLowerKey(struct BinTree *root, LLONG key); ./arbsrc_9167/ptpan/ptpan.h0000644012664100000130000006005511440743000015553 0ustar arb_buildcoders#include "globalprefs.h" #include "types.h" #include "dlist.h" #include "hooks.h" #include #include #include "pt_manualprotos.h" #define FILESTRUCTVERSION 0x0105 /* version<<8 and revision */ #define BENCHMARK /* compressed sequence codes */ #define SEQCODE_N 0 #define SEQCODE_A 1 #define SEQCODE_C 2 #define SEQCODE_G 3 #define SEQCODE_T 4 #define SEQCODE_DOT 5 #define SEQCODE_HYPHEN 6 #define SEQCODE_IGNORE 255 /* 5261276th prime, small enough for pg->pg_AlphaSize < 47 */ #define HASHPRIME 90809777 /* mismatch matrix and edit distance weights */ struct MismatchWeights { float mw_Replace[ALPHASIZE*ALPHASIZE]; /* costs for replacing one char by the other */ float mw_Insert[ALPHASIZE]; /* cost for inserting one char */ float mw_Delete[ALPHASIZE]; /* cost for deleting one char */ }; /* benchmarking/debug */ struct TimeStats { struct timeval ts_Init; /* first time stamp after init */ struct timeval ts_End; /* total time */ struct timeval ts_Last; /* last stamp */ struct timeval ts_Now; /* temporary stamp */ ULONG ts_CollectDB; /* scanning for species */ ULONG ts_MergeDB; /* merging database */ ULONG ts_PrefixScan; /* partition prefix scanning */ ULONG ts_MemTree; /* memory tree generation */ ULONG ts_TreeStats; /* depth, short edge, long edge */ ULONG ts_LongDictPre; /* long edge dict presorting */ ULONG ts_LongDictBuild; /* long edge dict building */ ULONG ts_Reloc; /* relocation */ ULONG ts_Writing; /* writing of tree to disk */ ULONG ts_TotalBuild; /* total time spent for building */ ULONG ts_Hits; /* total number of candidates */ ULONG ts_UnsafeHits; /* number of hits being verified */ ULONG ts_UnsafeKilled; /* number of false positives */ ULONG ts_DupsKilled; /* duplicates filtered */ ULONG ts_CrossBoundKilled; /* hits, that were filtered due to cross boundary */ ULONG ts_DotsKilled; /* filtered hits that were in non-coding areas */ ULONG ts_OutHits; /* number of output lines generated */ ULONG ts_CandSetTime; /* time for generating candidates */ ULONG ts_OutputTime; /* time for generating output */ }; /* global persistant data structure */ struct PTPanGlobal { struct Node pg_Node; /* linkage */ /* communication stuff */ PT_main *pg_AISC; /* main communication pointer */ struct arb_params *pg_ArbParams; STRPTR pg_ServerName; /* hostname of server */ struct Hs_struct *pg_ComSocket; /* the communication socket */ BOOL pg_UseStdSfxTree; /* selects between PTPan and SfxTree */ FILE *pg_IndexFile; /* file handle for main index file */ STRPTR pg_DBName; /* DataBase name */ STRPTR pg_IndexName; /* name of primary (?) index file */ /* Main data base information */ GBDATA *pg_MainDB; /* ARBDB interface */ GBDATA *pg_SaiData; STRPTR pg_AlignmentName; /* Name of the alignment in DB */ GBDATA *pg_SpeciesData; /* DB pointer to species data */ ULLONG pg_TotalSeqSize; /* total size of sequences */ ULLONG pg_TotalSeqCompressedSize; // total size of compressed Seq. Data (with '.' and '-') in byte ULLONG pg_TotalRawSize; /* total size of data tuples in species */ UWORD pg_TotalRawBits; /* number of bits required to store a position pointer */ ULONG pg_MaxBaseLength; /* maximum base length over all species */ ULONG pg_AllHashSum; /* hash sum over everything to checksum integrity */ ULONG pg_NumSpecies; /* number of species accounted for */ struct List pg_Species; /* list of species data */ /* stuff for building the index and partitions */ ULONG *pg_MergedRawData; /* all compressed and merged sequence data */ ULONG pg_MaxPartitionSize; /* maximum allowed number of tuples in each partition */ ULONG *pg_HistoTable; /* prefix histogramm */ UWORD pg_NumPartitions; /* number of partitions generated */ struct List pg_Partitions; /* prefix partitions */ UWORD pg_MaxPrefixLen; /* maximum used prefix length */ struct PTPanPartition **pg_PartitionLookup; /* quick lookup table */ /* precalculated Tables for speedup */ UWORD pg_AlphaSize; /* size of alphabet */ ULONG pg_PowerTable[MAXCODEFITLONG+1]; /* stores powers of ALPHASIZE^i */ UWORD pg_BitsShiftTable[MAXCODEFITLONG+1]; /* how many bits to shift left to get valid code */ UWORD pg_BitsUseTable[MAXCODEFITLONG+1]; /* how many bits are required to store ALPHASIZE^i */ ULONG pg_BitsMaskTable[MAXCODEFITLONG+1]; /* eof bit mask for i codes */ UWORD pg_BitsCountTable[256]; /* count how many bits are set */ UBYTE pg_CompressTable[256]; /* table to compress char to { N, A, C, G, T } */ UBYTE pg_DecompressTable[ALPHASIZE]; /* inverse mapping of above */ UBYTE pg_ComplementTable[ALPHASIZE]; /* table with A<->T, C<->G swapped */ UBYTE pg_SeqCodeValidTable[256]; /* 1 for valid char, 0 for invalid (-.) */ /* various stuff */ UWORD pg_PruneLength; /* Pruning control for depth and length */ BOOL pg_LowMemoryMode; /* whether to load and keep all sequences in memory */ ULONG pg_FreeMem; /* free memory in KB */ STRPTR pg_EcoliSeq; /* Ecoli sequence data */ ULONG pg_EcoliSeqSize; /* length of ecoli sequence */ ULONG *pg_EcoliBaseTable; /* quick table lookup for ecoli base position */ /* species name hashing */ struct BinTree *pg_SpeciesBinTree; /* tree to find a species by its absolute offset */ struct PTPanSpecies **pg_SpeciesMap; /* direct mapping to support legacy stuff */ GB_HASH *pg_SpeciesNameHash; /* species name to int */ struct CacheHandler *pg_SpeciesCache; /* alignment caching */ struct CacheHandler *pg_PartitionCache; /* partition caching */ /* mismatch matrix */ struct MismatchWeights pg_MismatchWeights; /* matrix containing the default mismatch values */ struct MismatchWeights pg_NoWeights; /* matrix containing the default mismatch values */ /* output stuff */ PT_local *pg_SearchPrefs; /* search prefs from GUI */ bytestring pg_ResultString; /* complete merged output string (header/name/format) */ bytestring pg_ResultMString; /* complete merged output string (name/mismatch/wmis) */ bytestring pg_SpeciesString; /* complete merged species string (species) */ bytestring pg_UnknownSpecies; /* string containing the unknown species */ char pg_TempBuffer[1024]; /* temporary buffer */ /* benchmarking */ struct TimeStats pg_Bench; /* Benchmarking data structure */ /* Command line flags */ UWORD pg_verbose; /* Verbosity level to stdout for debugging */ }; extern struct PTPanGlobal *PTPanGlobalPtr; /* information on a species */ struct PTPanSpecies { struct Node ps_Node; /* linkage */ ULONG ps_Num; /* species number for map */ GBDATA *ps_SpeciesDB; /* database pointer */ GBDATA *ps_SeqDataDB; /* alignment data pointer */ STRPTR ps_Name; /* short name of species */ STRPTR ps_FullName; /* long name of species */ STRPTR ps_SeqData; /* original sequence data */ ULONG ps_SeqDataSize; /* length of original sequence data */ ULONG *ps_RawData; /* compressed sequence data pointer */ ULONG ps_RawDataSize; /* length of alignment data (filtered) */ ULONG ps_SeqHash; /* sequence hash sum */ BOOL ps_IsGroup; /* marked for probe design */ BOOL ps_Obsolete; /* this sequence has been removed from the DB, ignore */ ULLONG ps_AbsOffset; /* absolute offset in the resulting raw image */ ULONG ps_SerialTouch; /* last time touched (for duplicate elimation) */ struct CacheNode *ps_CacheNode; /* caching information node */ STRPTR ps_test; UBYTE *ps_SeqDataCompressed; // compressed Seq. Data (with '.' and '-') ULONG ps_SeqDataCompressedSize; // size in bits (includes end flag 111) }; /* index partition structure (memory) */ struct PTPanPartition { struct Node pp_Node; /* linkage */ struct PTPanGlobal *pp_PTPanGlobal; /* up link */ ULONG pp_ID; /* partition id, e.g. used for filename */ ULONG pp_Prefix; /* compressed prefix code */ ULONG pp_PrefixLen; /* length of prefix code */ STRPTR pp_PrefixSeq; /* prefix sequence */ ULONG pp_Size; /* number of nodes for this prefix */ ULLONG pp_RawOffset; /* offset of this partition inside the total raw data */ BOOL pp_Done; /* flag to check, if this partition has been done yet */ /* variables for alternate suffix tree implementation */ struct StdSfxNode *pp_StdSfxNodes; /* suffix node array */ /* intermediate tree in memory */ struct SfxNode *pp_SfxRoot; /* root of all evil */ ULONG pp_SfxMemorySize; /* size of the node array */ UBYTE *pp_SfxNodes; /* suffix node array */ ULONG pp_Sfx2EdgeOffset; /* offset for two edge nodes */ ULONG pp_SfxNEdgeOffset; /* offset for five edge nodes */ ULONG pp_NumBigNodes; /* number of big nodes */ ULONG pp_NumSmallNodes; /* number of small nodes */ ULONG pp_MaxTreeDepth; /* maximum measured tree depth */ ULONG pp_TreePruneDepth; /* at which depth should the tree be pruned? */ ULONG pp_TreePruneLength; /* length at which tree should be pruned? */ ULONG pp_PruneLeafCnt; /* count of leaves after pruning */ UBYTE *pp_VerifyArray; /* bitarray to check, if all positions are found */ struct TreeLevelStats *pp_LevelStats; /* stats for each level */ ULONG *pp_QuickPrefixLookup; /* hash table lookup */ ULONG pp_QuickPrefixCount; /* number of time the qpl was taken */ struct HuffCode *pp_BranchCode; /* branch combination histogram */ /* edges huffman code stuff */ ULONG pp_EdgeCount; /* number of edges in the final tree */ ULONG pp_LongEdgeCount; /* number of long edges */ struct HuffCode *pp_ShortEdgeCode; /* short edge combination histogram */ struct SfxNode **pp_LongEdges; /* sorted array of tree pointers to long edges */ STRPTR pp_LongDict; /* Dictionary for long edges */ ULONG pp_LongDictSize; /* allocation size */ UWORD pp_LongRelPtrBits; /* bits to use to reference a long edge offset */ struct HashArray *pp_LongDictHash; /* lookup hash array to speed up search */ ULONG pp_LongDictHashSize; /* size of hash */ ULONG pp_LongEdgeLenSize; /* size of the huffman array (longest length + 1) */ struct HuffCode *pp_LongEdgeLenCode; /* long edges length histogram */ ULONG *pp_LongDictRaw; /* compressed long dictionary */ ULONG pp_LongDictRawSize; /* compressed long dictionary size on disk */ /* leaf collection */ LONG *pp_LeafBuffer; /* temporary leaf buffer */ ULONG pp_LeafBufferSize; /* size of leaf buffer */ LONG *pp_LeafBufferPtr; /* current pointer position */ /* file saving */ STRPTR pp_PartitionName; /* file name of partition */ FILE *pp_PartitionFile; /* file handle for partition */ ULONG pp_TraverseTreeRoot; /* start of in order traversal (sn_Parent) */ ULONG pp_DiskTreeSize; /* backward position on disk (growing size) */ ULONG pp_DiskNodeCount; /* number of inner nodes written */ ULONG pp_DiskNodeSpace; /* memory used for nodes */ ULONG pp_DiskLeafCount; /* number of inner leaf nodes */ ULONG pp_DiskLeafSpace; /* memory used for leaf nodes */ ULONG pp_DiskOuterLeaves; /* number of leaf positions saved in arrays */ ULONG pp_DiskIdxSpace; /* size of file on disk */ UBYTE *pp_DiskBuffer; /* Buffer for writing tree */ ULONG pp_DiskBufferSize; /* Size of disk buffer */ ULONG pp_DiskPos; /* Fill state of buffer */ UBYTE *pp_DiskTree; /* start of compressed tree */ UBYTE *pp_MapFileBuffer; /* buffer for mapped file */ ULONG pp_MapFileSize; /* size of virtual memory */ UBYTE *pp_StdSfxMapBuffer; /* buffer for mapped source text (StdSfx) */ /* node decrunching */ struct HuffTree *pp_BranchTree; /* branch combination tree */ struct HuffTree *pp_ShortEdgeTree; /* short edge combination tree */ struct HuffTree *pp_LongEdgeLenTree; /* long edges length tree */ struct CacheNode *pp_CacheNode; /* caching information node */ }; #define RELOFFSETBITS 28 #define RELOFFSETMASK ((1UL << RELOFFSETBITS) - 1) #define LEAFBIT 31 #define LEAFMASK 0x80000000 /* suffix tree stub node for long edge extra intervals */ struct SfxNodeStub { ULONG sn_StartPos; /* start position of edge (or prefix or dictionary position) */ UWORD sn_EdgeLen; /* length of edge */ UWORD sn_Dummy; /* alpha mask */ }; /* suffix tree inner node for two edges */ struct SfxNode2Edges { ULONG sn_StartPos; /* start position */ UWORD sn_EdgeLen; /* length of edge */ UWORD sn_AlphaMask; /* alpha mask */ ULONG sn_Parent; /* pointer to parent offset (upper 4 bits for edge count) */ ULONG sn_Children[2]; /* array of children (lower 28 bits for array offset, upper 4 bits for edge id and terminal bit */ }; /* suffix tree inner node for five edges */ struct SfxNodeNEdges { ULONG sn_StartPos; /* start position */ UWORD sn_EdgeLen; /* length of edge */ UWORD sn_AlphaMask; /* alpha mask */ ULONG sn_Parent; /* pointer to parent offset (upper 4 bits for edge count) */ ULONG sn_Children[ALPHASIZE]; /* array of children (lower 28 bits for array offset ,upper 4 bits for edge id and terminal bit */ }; /* suffix tree node template */ struct SfxNode { ULONG sn_StartPos; /* start position of edge (or prefix or dictionary position) */ UWORD sn_EdgeLen; /* length of edge */ UWORD sn_AlphaMask; /* alpha mask */ ULONG sn_Parent; /* pointer to parent offset (upper 4 bits for edge count) */ ULONG sn_Children[1]; /* array of children */ }; /* alternate implementation: standard suffix tree */ struct StdSfxNode { ULONG ssn_StartPos; /* start position of edge */ ULONG ssn_EdgeLen; /* length of edge */ ULONG ssn_FirstChild; /* first child offset */ ULONG ssn_NextSibling; /* next sibling offset */ ULONG ssn_Parent; /* parent node offset */ ULONG ssn_Prime; /* link node offset */ }; /* StdSfxNode truncated */ struct StdSfxNodeOnDisk { ULONG ssn_StartPos; /* start position of edge */ ULONG ssn_EdgeLen; /* length of edge */ ULONG ssn_FirstChild; /* first child offset */ ULONG ssn_NextSibling; /* next sibling offset */ }; /* tree statistics */ struct TreeLevelStats { ULONG tls_NodeCount; /* number of nodes on this level */ ULONG tls_LeafCount; /* number of leaves on this level */ ULONG tls_TotalNodeCount; /* number of nodes on this level and below */ ULONG tls_TotalLeafCount; /* number of leaves on this level and below */ ULONG tls_LevelSize; /* number of bytes used on for this level */ ULONG tls_Offset; /* current position < tls_LevelSize */ }; /* decrunched tree node data structure */ struct TreeNode { struct PTPanPartition *tn_PTPanPartition; /* uplinking */ ULONG tn_Pos; /* absolute tree position */ ULONG tn_Size; /* size of the uncompressed node in bytes */ UWORD tn_Level; /* level of the tree node */ UWORD tn_ParentSeq; /* branch that lead there */ ULONG tn_ParentPos; /* position of parent node */ struct TreeNode *tn_Parent; /* parent node */ UWORD tn_TreeOffset; /* sum of the parent edges (i.e. relative string position) */ UWORD tn_EdgeLen; /* length of edge */ STRPTR tn_Edge; /* decompressed edge */ ULONG tn_Children[ALPHASIZE]; /* absolute position of the children */ ULONG tn_NumLeaves; /* number of leaves in this node */ ULONG tn_Leaves[1]; /* variable size of leaf array */ }; /* values for sq_SortMode */ #define SORT_HITS_NOWEIGHT 0 /* use mismatch count */ #define SORT_HITS_WEIGHTED 1 /* use weighted error */ /* automata state for search algorithm */ struct SearchQueryState { struct TreeNode *sqs_TreeNode; /* tree node */ ULONG sqs_SourcePos; /* current position within source string (linear only) */ ULONG sqs_QueryPos; /* current position within query */ UWORD sqs_ReplaceCount; /* number of replace operations so far */ UWORD sqs_InsertCount; /* number of insert operations so far */ UWORD sqs_DeleteCount; /* number of delete operations so far */ UWORD sqs_NCount; /* number of N-sequence codes encountered */ float sqs_ErrorCount; /* errors currently found */ }; /* parameter block and variables for a query */ struct SearchQuery { struct Node sq_Node; /* linkage */ struct PTPanGlobal *sq_PTPanGlobal; /* up link */ struct PTPanPartition *sq_PTPanPartition; /* up link */ /* prefs/settings */ STRPTR sq_SourceSeq; /* for linear comparision ONLY */ STRPTR sq_Query; /* query string */ ULONG sq_QueryLen; /* length of the query string */ BOOL sq_Reversed; /* query is reversed */ BOOL sq_AllowReplace; /* allow replace operations */ BOOL sq_AllowInsert; /* allow inserting operations */ BOOL sq_AllowDelete; /* allow delete operations */ ULONG sq_KillNSeqsAt; /* if string has too many Ns, kill it */ float sq_MinorMisThres; /* threshold for small letter mismatch output */ struct MismatchWeights *sq_MismatchWeights; /* pointer to matrix for mismatches */ float sq_MaxErrors; /* maximum allowed errors */ double* sq_PosWeight; // mismatch multiplier (Gaussian like distribution over search string) /* results */ struct HashArray *sq_HitsHash; /* hash array to avoid double entries */ ULONG sq_HitsHashSize; /* size of hash array */ struct List sq_Hits; /* list of results */ ULONG sq_NumHits; /* number of hits stored in array */ UWORD sq_SortMode; /* describes the ordering for sorting */ struct SearchQueryState sq_State; /* running variables */ }; #define QHF_UNSAFE 0x0001 /* this hit must be verified */ #define QHF_REVERSED 0x0002 /* this hit was found in the reversed sequence */ #define QHF_ISVALID 0x8000 /* it's a valid hit */ /* data stored for a candidate */ struct QueryHit { struct Node qh_Node; /* linkage */ ULLONG qh_AbsPos; /* absolute position where hit was found */ UWORD qh_Flags; /* is this still valid */ UWORD qh_ReplaceCount; /* Amount of replace operations required */ UWORD qh_InsertCount; /* Amount of insert operations required */ UWORD qh_DeleteCount; /* Amount of delete operations required */ float qh_ErrorCount; /* errors that were needed to reach that hit */ struct PTPanSpecies *qh_Species; /* pointer to species this hit is in */ }; /* data tuple for collected hits */ struct HitTuple { ULLONG ht_AbsPos; /* absolute position of hit */ struct PTPanSpecies *ht_Species; /* link to species */ }; /* probe candidate */ struct DesignHit { struct Node dh_Node; /* linkage */ STRPTR dh_ProbeSeq; /* sequence of the probe */ ULONG dh_GroupHits; /* number of species covered by the hit */ ULONG dh_NonGroupHits; /* number of non group hits inside this hit */ ULONG dh_Hairpin; /* number of hairpin bonds */ double dh_Temp; /* temperature */ UWORD dh_GCContent; /* number of G and C nucleotides in the hit */ ULONG dh_NumMatches; /* number of hits in this puddle */ struct HitTuple *dh_Matches; /* Absolute pos of all hits */ struct SearchQuery *dh_SearchQuery; /* search query for probe quality calculation */ ULONG dh_NonGroupHitsPerc[PERC_SIZE]; /* number of nongroup hits with decreasing temperature */ }; /* data structure for probe design */ struct DesignQuery { struct Node dq_Node; /* linkage */ struct PTPanGlobal *dq_PTPanGlobal; /* up link */ struct PTPanPartition *dq_PTPanPartition; /* up link */ ULONG dq_Serial; /* running number for duplicate detection */ UWORD dq_ProbeLength; /* length of the probe */ ULONG dq_MarkedSpecies; /* number of marked species */ ULONG dq_MinGroupHits; /* minimum species covered by the hit */ ULONG dq_MaxNonGroupHits; /* number of non group hits allowed */ ULONG dq_MaxHairpin; /* maximum number of hairpin bonds */ double dq_MinTemp; /* minimum temperature */ double dq_MaxTemp; /* maximum temperature */ UWORD dq_MinGC; /* minimum number of G and C nucleotides in the hit */ UWORD dq_MaxGC; /* maximum number of G and C nucleotides in the hit */ ULONG dq_MaxHits; /* maximum number of matches */ ULONG dq_NumHits; /* number of matches */ struct List dq_Hits; /* list of matches */ struct DesignHit dq_TempHit; /* temporary memory to avoid too many alloc/free's */ ULONG dq_TempMemSize; /* memory allocated */ struct TreeNode *dq_TreeNode; /* current tree node traversed */ PT_pdc *dq_PDC; /* legacy link */ }; /* cache handler information node (private) */ struct CacheHandler { struct Node ch_Node; /* linkage */ struct List ch_UsedNodes; /* list of loaded nodes */ struct List ch_FreeNodes; /* list of free nodes */ APTR ch_UserData; /* public: user data pointer */ ULONG ch_SwapCount; /* swapping count */ /* private stuff */ BOOL ch_CacheDisabled; /* do not cache new stuff */ ULONG ch_AccessID; /* running sequence ID */ ULONG ch_MemUsage; /* memory used for this cache list */ ULONG ch_MaxCapacity; /* how much to hold in this cache maximum */ BOOL (*ch_LoadFunc)(struct CacheHandler *, APTR); /* callback hook to load data */ BOOL (*ch_UnloadFunc)(struct CacheHandler *, APTR); /* callback hook to unload data */ ULONG (*ch_SizeFunc)(struct CacheHandler *, APTR); /* callback hook to determine size of data */ struct CacheNode *ch_LastNode; /* for unloading (in no caching mode) */ }; /* node containing statistical and management data for caching */ struct CacheNode { struct Node cn_Node; /* linking node */ APTR cn_UserData; /* link to the user node this is attached to */ ULONG cn_LastUseID; /* access sequence ID of last use */ BOOL cn_Loaded; /* is loaded */ }; /* huffman tree node */ struct HuffTree { struct HuffTree *ht_Child[2]; /* children */ ULONG ht_ID; /* ID to return */ ULONG ht_Codec; /* complete codec */ UWORD ht_CodeLength; /* code length */ }; /* huffman table entry */ struct HuffCode { ULONG hc_Weight; /* weight of item */ ULONG hc_Codec; /* actual bits (in lsb) */ UWORD hc_CodeLength; /* lengths in bits */ }; /* temporary internal node type */ struct HuffCodeInternal { ULONG hc_ID; /* code id */ ULONG hc_Weight; /* weight of item */ UWORD hc_Left; /* ID of left parent */ UWORD hc_Right; /* ID of right parent */ }; /* dynamic hashing struct */ struct HashArray { struct HashEntry *ha_Array; /* Array of entries */ ULONG ha_Size; /* Size of array */ ULONG ha_Used; /* Number of entries used */ ULONG ha_InitialSize; /* Initial size */ }; /* static hashing hash entry */ struct HashEntry { ULONG he_Key; /* Hash Key */ ULONG he_Data; /* Auxilliary data */ }; ./arbsrc_9167/ptpan/PTP_buildtree.cxx0000644012664100000130000030704711440743000017513 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" /* nice niffy macro to get a compressed sequence code */ #define GetSeqCodeQuick(pos) \ (((seqptr[(pos) / MAXCODEFITLONG] \ >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) \ / pg->pg_PowerTable[MAXCODEFITLONG - ((pos) % MAXCODEFITLONG) - 1]) \ % pg->pg_AlphaSize) #define GetSeqCode(pos) ((pos >= pg->pg_TotalRawSize) ? SEQCODE_N : GetSeqCodeQuick(pos)) /* /// "BuildStdSuffixTree()" */ BOOL BuildStdSuffixTree(struct PTPanGlobal *pg) { STRPTR newtreename; struct PTPanPartition *pp; ULONG memfree; printf("********************************\n" "* Building Std Suffix Index... *\n" "********************************\n"); // Delete old tree first (why, can't we just build a new one and // then rename it? Needs some extra disk space then though) if(unlink(pg->pg_IndexName)) { if(GB_size_of_file(pg->pg_IndexName) >= 0) { fprintf(stderr, "Cannot remove %s\n", pg->pg_IndexName); return(FALSE); } } // allocate memory for a temporary filename newtreename = (STRPTR) malloc(strlen(pg->pg_IndexName) + 2); strcpy(newtreename, pg->pg_IndexName); strcat(newtreename, "~"); pg->pg_IndexFile = fopen(newtreename, "w"); /* open file for output */ if(!pg->pg_IndexFile) { fprintf(stderr, "Cannot open %s for output.\n", newtreename); free(newtreename); return(FALSE); } GB_set_mode_of_file(newtreename, 0666); //GB_begin_transaction(pg->pg_MainDB); /* build index */ BuildMergedDatabase(pg); printf("Freeing alignment cache to save memory..."); memfree = FlushCache(pg->pg_SpeciesCache); printf("%ld KB freed.\n", memfree >> 10); /* everything has to fit into one partition */ pp = (struct PTPanPartition *) calloc(1, sizeof(struct PTPanPartition)); if(!pp) { return(FALSE); /* out of memory */ } /* fill in sensible values */ pp->pp_PTPanGlobal = pg; pp->pp_ID = 0; pp->pp_Prefix = 0; pp->pp_PrefixLen = 0; pp->pp_Size = pg->pg_TotalRawSize; pp->pp_RawOffset = 0; pp->pp_PartitionName = (STRPTR) calloc(strlen(pg->pg_IndexName) + 5, 1); strncpy(pp->pp_PartitionName, pg->pg_IndexName, strlen(pg->pg_IndexName) - 3); strcat(pp->pp_PartitionName, "sfx"); AddTail(&pg->pg_Partitions, &pp->pp_Node); pg->pg_NumPartitions = 1; printf("Using only one partition for %ld leaves.\n", pp->pp_Size); WriteIndexHeader(pg); fclose(pg->pg_IndexFile); BuildMemoryStdSuffixTree(pp); /* write out tree */ printf(">>> Phase 3: Writing tree to secondary storage... <<<\n"); WriteStdSuffixTreeToDisk(pp); printf(">>> Phase 4: Freeing memory and cleaning it up... <<<\n"); /* return some memory not used anymore */ freeset(pp->pp_StdSfxNodes, NULL); if(GB_rename_file(newtreename, pg->pg_IndexName)) { GB_print_error(); } if(GB_set_mode_of_file(pg->pg_IndexName, 0666)) { GB_print_error(); } free(newtreename); return(TRUE); } /* \\\ */ /* /// "BuildMemoryStdSuffixTree()" */ BOOL BuildMemoryStdSuffixTree(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG oldheadnum; ULONG oldleafnum; ULONG nodecnt; //struct StdSfxNode *parnode; struct StdSfxNode *vnode; struct StdSfxNode *oldheadnode; struct StdSfxNode *oldleafnode; ULONG vnum, parnum; BenchTimePassed(pg); pp->pp_SfxMemorySize = pp->pp_Size * sizeof(struct StdSfxNode) * 2; pp->pp_StdSfxNodes = (struct StdSfxNode *) calloc(pp->pp_Size * 2, sizeof(struct StdSfxNode)); if(!pp->pp_StdSfxNodes) { printf("Couldn't allocate %ld KB for suffix nodes.\n", pp->pp_SfxMemorySize >> 10); return(FALSE); } /* init pointing offsets */ pp->pp_NumBigNodes = 0; printf("Allocated %ld KB suffix nodes buffer.\n", pp->pp_SfxMemorySize >> 10); /* fill in root node */ vnode = pp->pp_StdSfxNodes; vnode->ssn_Parent = 0; vnode->ssn_FirstChild = 1; vnode++; vnode->ssn_Parent = 0; vnode->ssn_StartPos = 0; vnode->ssn_EdgeLen = pg->pg_TotalRawSize; vnode->ssn_FirstChild = 0; vnode->ssn_NextSibling = 0; vnum = 1; oldheadnum = 0; oldleafnum = 1; pp->pp_NumBigNodes = 2; /* main loop to build up the tree */ /* NOTE: as a special precaution, all longwords have MAXCODEFITLONG code length */ for(nodecnt = 1; nodecnt < pg->pg_TotalRawSize; nodecnt++) { ULONG gst, gend; // gamma ULONG bst, bend; // beta oldleafnode = &pp->pp_StdSfxNodes[oldleafnum]; oldheadnode = &pp->pp_StdSfxNodes[oldheadnum]; gst = oldleafnode->ssn_StartPos; gend = gst + oldleafnode->ssn_EdgeLen; //printf("%ld\n", nodecnt); //cerr << "Step " << i << ": oldleaf(" << source.substr(gst, gend - gst) << ")->" << source.substr(i, n - i) << endl; //printTree(source, r, 0); if(!oldheadnum) // oldhead ist wurzel { //printf(" oldhead == root\n"); //vnode = pp->pp_StdSfxNodes; vnum = 0; gst++; } else if((vnum = oldheadnode->ssn_Prime)) // oldhead ist nicht Wurzel hat aber einen Querlink { //printf(" oldhead has nodeprime\n"); } else { // oldhead ist nicht Wurzel hat aber keinen Querlink parnum = oldheadnode->ssn_Parent; bst = oldheadnode->ssn_StartPos; bend = bst + oldheadnode->ssn_EdgeLen; //cerr << " oldhead(" << source.substr(bst, bend - bst) << ") has no nodeprime and is not root" << endl; if(!parnum) { //printf(" p was root\n"); bst++; vnum = FastFindStdSfxNode(pp, 0, bst, bend); } else { vnum = FastFindStdSfxNode(pp, (pp->pp_StdSfxNodes[parnum]).ssn_Prime, bst, bend); //printf(" p->nodeprime was leaf\n"); /*cerr << " p->nodeprime was leaf(" << source.substr(u->sfxstart, u->sfxend - u->sfxstart) << endl;*/ } /*cerr << " Call to fastFindNode(., ., " << bst << ", " << bend << ", '" << source.substr(bst, bend - bst) << "')" << endl;*/ oldheadnode->ssn_Prime = vnum; } /*cerr << " Call to findNode(., ., " << gst << ", " << gend << ", '" << source.substr(gst, gend - gst) << "')" << endl;*/ //printf("FindNode %ld, %ld-%ld\n", vnum, gst, gend); oldheadnum = FindStdSfxNode(pp, vnum, gst, gend); /*cerr << " Call to insertNode(., " << gst << ", " << gend << ", '" << source.substr(gst, gend - gst) << "')" << endl;*/ //printf("InsertNode %ld, %ld-%ld\n", oldheadnum, gst, gend); oldleafnum = InsertStdSfxNode(pp, gst, gend, oldheadnum); if((nodecnt & 0x3fff) == 0) { if((nodecnt >> 14) % 50) { printf("."); fflush(stdout); } else { printf(". %2ld%%\n", nodecnt / (pg->pg_TotalRawSize / 100)); } } } printf("DONE! (%ld KB unused)\n", (pp->pp_Sfx2EdgeOffset - pp->pp_SfxNEdgeOffset) >> 10); printf("Nodes : %6ld\n", pp->pp_NumBigNodes); pg->pg_Bench.ts_MemTree += BenchTimePassed(pg); return(TRUE); } /* \\\ */ // Suche nach bestimmter Kindkante (konstante Zeit, da alphabetgroesse konstant). /* /// "FindStdSfxChildNode()" */ inline ULONG FindStdSfxChildNode(struct PTPanPartition *pp, ULONG nodenum, ULONG pos) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG *seqptr = pg->pg_MergedRawData; ULONG c = GetSeqCodeQuick(pos); struct StdSfxNode *node; //printf("Searching %ld at %ld in node %ld: ", c, pos, nodenum); nodenum = (pp->pp_StdSfxNodes[nodenum]).ssn_FirstChild; while(nodenum) { node = &pp->pp_StdSfxNodes[nodenum]; if(GetSeqCodeQuick(node->ssn_StartPos) == c) { break; } nodenum = node->ssn_NextSibling; } //printf("%ld\n", nodenum); return(nodenum); } /* \\\ */ /* /// "SplitStdSfxNode()" */ // Neue Node einfuegen und initialisieren ULONG SplitStdSfxNode(struct PTPanPartition *pp, ULONG leafnum) { struct StdSfxNode *leafnode = &pp->pp_StdSfxNodes[leafnum]; ULONG parnum = leafnode->ssn_Parent; struct StdSfxNode *parnode = &pp->pp_StdSfxNodes[parnum]; ULONG inum = pp->pp_NumBigNodes++; struct StdSfxNode *inode = &pp->pp_StdSfxNodes[inum]; struct StdSfxNode *tmpnode; //printf("Split node %ld\n", leafnum); if(parnode->ssn_FirstChild == leafnum) // case 1: leaf is first child { // correct all linkages parnode->ssn_FirstChild = inum; } else { // case 2 leaf is some other child // find previous sibling of leaf tmpnode = &pp->pp_StdSfxNodes[parnode->ssn_FirstChild]; while(tmpnode->ssn_NextSibling != leafnum) { tmpnode = &pp->pp_StdSfxNodes[tmpnode->ssn_NextSibling]; } // correct all linkages tmpnode->ssn_NextSibling = inum; } inode->ssn_FirstChild = leafnum; inode->ssn_NextSibling = leafnode->ssn_NextSibling; inode->ssn_Parent = parnum; leafnode->ssn_NextSibling = 0; leafnode->ssn_Parent = inum; return(inum); } /* \\\ */ /* /// "FindStdSfxNode()" */ // langsames Finden der naechsten Node (wir wissen nicht, ob diese existiert) ULONG FindStdSfxNode(struct PTPanPartition *pp, ULONG snum, ULONG &sfxstart, ULONG sfxend) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG *seqptr = pg->pg_MergedRawData; //struct StdSfxNode *snode; //printf("FindStdSfxNode: %ld, (%ld-%ld)\n", snum, sfxstart, sfxend); if(sfxstart == sfxend) // terminal character is always found { return(snum); } //snode = &pp->pp_StdSfxNodes[snum]; do { ULONG i,ic; ULONG fst, fend; struct StdSfxNode *leafnode; struct StdSfxNode *inode; ULONG inum; ULONG leafnum; leafnum = FindStdSfxChildNode(pp, snum, sfxstart); if(!leafnum) { return(snum); } leafnode = &pp->pp_StdSfxNodes[leafnum]; fst = leafnode->ssn_StartPos; fend = fst + leafnode->ssn_EdgeLen; // Zeichen fuer Zeichen ueberpruefen for(i = fst+1, ic = sfxstart+1; i < fend; i++, ic++) { if(i-fst+sfxstart >= sfxend) // Suchstringende erreicht -> "$" Blatt break; if(GetSeqCodeQuick(i) != GetSeqCodeQuick(ic)) // Zeichendifferenz? break; } //printf("i: %ld\n", i); if(i != fend) // Muss leaf gesplitted werden? { inum = SplitStdSfxNode(pp, leafnum); // Generate new node inode = &pp->pp_StdSfxNodes[inum]; inode->ssn_StartPos = fst; // neues Kind hat selben Suffixstart inode->ssn_EdgeLen = i - fst; // aber Suffix endet zwischen den beiden leafnode->ssn_StartPos = i; // leaf hat neuen Suffixstart bei i leafnode->ssn_EdgeLen = fend - i; // leaf Suffixend bleibt unveraendert /*printf("Inode %ld (%ld-%ld), leafnode %ld (%ld-%ld)\n", inum, fst, i, leafnum, i, fend);*/ sfxstart += i - fst; // Suffixstart fuer insertNode() korrigieren return(inum); } else { // Knoten vollstaendig gematcht snum = leafnum; sfxstart += fend - fst; } } while(TRUE); } /* \\\ */ /* /// "FastFindStdSfxNode()" */ ULONG FastFindStdSfxNode(struct PTPanPartition *pp, ULONG snum, ULONG sfxstart, ULONG sfxend) { //struct StdSfxNode *snode; /* fast finding of next node (we know that it has to exist) */ if(sfxstart == sfxend) { return(snum); } do { ULONG fst, fend; ULONG i; struct StdSfxNode *leafnode; struct StdSfxNode *inode; ULONG inum; ULONG leafnum; leafnum = FindStdSfxChildNode(pp, snum, sfxstart); if(!leafnum) { printf("Shit!\n"); exit(1); } leafnode = &pp->pp_StdSfxNodes[leafnum]; i = leafnode->ssn_EdgeLen; if(sfxstart + i == sfxend) // do we terminate at a leaf? { return(leafnum); } fst = leafnode->ssn_StartPos; fend = fst + i; if(sfxstart + i > sfxend) // Bleiben wir innerhalb des Blattes haengen? { inum = SplitStdSfxNode(pp, leafnum); // Generate new node inode = &pp->pp_StdSfxNodes[inum]; inode->ssn_StartPos = fst; // neues Kind hat selben Suffixstart inode->ssn_EdgeLen = sfxend - sfxstart; // aber Suffix endet zwischen den beiden leafnode->ssn_StartPos = fst + (sfxend - sfxstart); // leaf hat neuen Suffixstart bei i leafnode->ssn_EdgeLen = fend - leafnode->ssn_StartPos; // leaf Suffixend bleibt unveraendert return(inum); } sfxstart += i; snum = leafnum; } while(TRUE); } /* \\\ */ /* /// "InsertStdSfxNode()" */ ULONG InsertStdSfxNode(struct PTPanPartition *pp, ULONG sfxstart, ULONG sfxend, ULONG parnum) { struct StdSfxNode *parnode = &pp->pp_StdSfxNodes[parnum]; ULONG inum = pp->pp_NumBigNodes++; struct StdSfxNode *inode = &pp->pp_StdSfxNodes[inum]; ULONG tmpnum; struct StdSfxNode *tmpnode; inode->ssn_Parent = parnum; inode->ssn_StartPos = sfxstart; inode->ssn_EdgeLen = sfxend - sfxstart; if((tmpnum = parnode->ssn_FirstChild)) { tmpnode = &pp->pp_StdSfxNodes[tmpnum]; while((tmpnum = tmpnode->ssn_NextSibling)) { tmpnode = &pp->pp_StdSfxNodes[tmpnum]; } tmpnode->ssn_NextSibling = inum; } else { parnode->ssn_FirstChild = inum; } return(inum); } /* \\\ */ /* /// "WriteStdSuffixTreeToDisk()" */ BOOL WriteStdSuffixTreeToDisk(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct StdSfxNode *ssn; struct StdSfxNodeOnDisk *ssndisk; ULONG cnt; ULONG buffill; ULONG chunksize = 1UL<<20; ULONG pval; ULONG *seqptr; UWORD lcnt; STRPTR tarseq; pg->pg_Bench.ts_Reloc += BenchTimePassed(pg); /* now finally write it to disk */ pp->pp_PartitionFile = fopen(pp->pp_PartitionName, "w"); if(!pp->pp_PartitionFile) { printf("ERROR: Couldn't open partition file %s for writing!\n", pp->pp_PartitionName); return(FALSE); } pp->pp_DiskTreeSize = pp->pp_NumBigNodes * sizeof(struct StdSfxNodeOnDisk); pp->pp_DiskBufferSize = sizeof(StdSfxNodeOnDisk) * chunksize; pp->pp_DiskBuffer = (UBYTE *) calloc(1, pp->pp_DiskBufferSize); pp->pp_DiskPos = 0; WriteStdSuffixTreeHeader(pp); printf("Writing tree (%ld KB)",pp->pp_DiskTreeSize >> 10); fflush(NULL); cnt = pp->pp_NumBigNodes; ssn = pp->pp_StdSfxNodes; do { ssndisk = (struct StdSfxNodeOnDisk *) pp->pp_DiskBuffer; buffill = 0; do { ssndisk->ssn_StartPos = ssn->ssn_StartPos; ssndisk->ssn_EdgeLen = ssn->ssn_EdgeLen; ssndisk->ssn_FirstChild = ssn->ssn_FirstChild; ssndisk->ssn_NextSibling = ssn->ssn_NextSibling; ssndisk++; ssn++; cnt--; } while((++buffill < chunksize) && cnt); printf("."); fflush(NULL); fwrite(pp->pp_DiskBuffer, sizeof(struct StdSfxNodeOnDisk) * buffill, 1, pp->pp_PartitionFile); } while(cnt); printf(".\n"); printf("Writing raw text (%ld KB)",pp->pp_DiskTreeSize >> 10); cnt = (pg->pg_TotalRawSize / MAXCODEFITLONG) + 1; seqptr = pg->pg_MergedRawData; tarseq = (STRPTR) pp->pp_DiskBuffer; pp->pp_DiskPos = 0; do { /* get next longword */ pval = *seqptr++; lcnt = MAXCODEFITLONG; pval >>= pg->pg_BitsShiftTable[MAXCODEFITLONG]; /* unpack compressed longword */ do { *tarseq++ = (pval / pg->pg_PowerTable[--lcnt]) % pg->pg_AlphaSize; } while(lcnt); pp->pp_DiskPos += MAXCODEFITLONG; if(pp->pp_DiskPos > pp->pp_DiskBufferSize - MAXCODEFITLONG) { fwrite(pp->pp_DiskBuffer, pp->pp_DiskPos, 1, pp->pp_PartitionFile); tarseq = (STRPTR) pp->pp_DiskBuffer; pp->pp_DiskPos = 0; } } while(--cnt); pp->pp_DiskIdxSpace = ftell(pp->pp_PartitionFile); fclose(pp->pp_PartitionFile); free(pp->pp_DiskBuffer); pg->pg_Bench.ts_Writing += BenchTimePassed(pg); return(TRUE); } /* \\\ */ /* /// "BuildPTPanIndex()" */ /* build a whole new fresh and tidy index (main routine) */ BOOL BuildPTPanIndex(struct PTPanGlobal *pg) { STRPTR newtreename; struct PTPanPartition *pp; ULONG memfree; printf("********************************\n" "* Building new PT Pan Index... *\n" "********************************\n"); // Delete old tree first (why, can't we just build a new one and // then rename it? Needs some extra disk space then though) if(unlink(pg->pg_IndexName)) { if(GB_size_of_file(pg->pg_IndexName) >= 0) { fprintf(stderr, "Cannot remove %s\n", pg->pg_IndexName); return(FALSE); } } // allocate memory for a temporary filename newtreename = (STRPTR) malloc(strlen(pg->pg_IndexName) + 2); strcpy(newtreename, pg->pg_IndexName); strcat(newtreename, "~"); pg->pg_IndexFile = fopen(newtreename, "w"); /* open file for output */ if(!pg->pg_IndexFile) { fprintf(stderr, "Cannot open %s for output.\n", newtreename); free(newtreename); return(FALSE); } GB_set_mode_of_file(newtreename, 0666); //GB_begin_transaction(pg->pg_MainDB); /* build index */ BuildMergedDatabase(pg); printf("Freeing alignment cache to save memory..."); memfree = FlushCache(pg->pg_SpeciesCache); printf("%ld KB freed.\n", memfree >> 10); PartitionPrefixScan(pg); WriteIndexHeader(pg); fclose(pg->pg_IndexFile); /* build tree for each partition */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { CreateTreeForPartition(pp); pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } //CreatePartitionLookup(pg); //GB_commit_transaction(pg->pg_MainDB); //if(GB_rename_file(newtreename, pg->pg_IndexName)) *** FIXME *** if(GB_rename_file(newtreename, pg->pg_IndexName)) { GB_print_error(); } if(GB_set_mode_of_file(pg->pg_IndexName, 0666)) { GB_print_error(); } free(newtreename); return(TRUE); } /* \\\ */ /* /// "BuildMergedDatabase()" */ BOOL BuildMergedDatabase(struct PTPanGlobal *pg) { struct PTPanSpecies *ps; ULONG *seqptr; ULONG seqcode; ULONG cnt; ULONG pval; ULONG len; BOOL dbopen = FALSE; ULONG verlen; ULONG abspos; ULONG specabspos; ULONG hash; BenchTimePassed(pg); /* allocate memory for compressed data */ /* about the +3: 1 for rounding, 1 for MAXCODEFITLONG*SEQCODE_N and 1 for terminal */ pg->pg_MergedRawData = (ULONG *) malloc(((pg->pg_TotalRawSize / MAXCODEFITLONG) + 3) * sizeof(ULONG)); if(!pg->pg_MergedRawData) { printf("Sorry, couldn't allocate %ld KB of memory for the compressed DB!\n", (((pg->pg_TotalRawSize / MAXCODEFITLONG) + 3) * sizeof(ULONG)) >> 10); return(FALSE); } /* init */ seqptr = pg->pg_MergedRawData; cnt = 0; pval = 0; len = 4; abspos = 0; /* note: This has to be modified a bit to support compressed databases of >2GB alignment data using pp->pp_RawPartitionOffset */ printf("Step 1: Building compressed database...\n"); /* doing a linear scan -- caching is useless */ DisableCache(pg->pg_SpeciesCache); /* traverse all species */ ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while(ps->ps_Node.ln_Succ) { /* compress sequence */ STRPTR srcstr; UBYTE code; if(abspos != ps->ps_AbsOffset) { /* species seems to be corrupt! */ printf("AbsPos %ld != %ld mismatch at %s\n", abspos, ps->ps_AbsOffset, ps->ps_Name); } verlen = 0; hash = 0; specabspos = 0; ULONG bitpos = 0; ULONG count; while((code = GetNextCharacter(pg, ps->ps_SeqDataCompressed, bitpos, count)) != 0xff) { #ifdef ALLOWDOTSINMATCH if ((code == '.') && (count == 1)) { #if 1 // debug ULONG tmpbitpos = bitpos; ULONG tmpcount; printf("Species: %s, abspos: %li, AbsOffset: %li >> %li*%c, ", ps->ps_Name, abspos, ps->ps_AbsOffset, tmpcount, code); for (int i = 0; i < 10; ++i) { code = GetNextCharacter(pg, ps->ps_SeqDataCompressed, tmpbitpos, tmpcount); if (code == 0xff) break; printf("%li*%c, ", tmpcount, code); } printf("\n"); #endif code = 'N'; } #endif if(pg->pg_SeqCodeValidTable[code]) { /* add sequence code */ if(verlen++ < ps->ps_RawDataSize) { abspos++; specabspos++; seqcode = pg->pg_CompressTable[code]; pval *= pg->pg_AlphaSize; pval += seqcode; /* calculate hash */ hash *= pg->pg_AlphaSize; hash += seqcode; hash %= HASHPRIME; /* check, if storage capacity was reached? */ if(++cnt == MAXCODEFITLONG) { /* write out compressed longword (with eof bit) */ //printf("[%08lx]", pval | pg->pg_BitsMaskTable[cnt]); *seqptr++ = (pval << pg->pg_BitsShiftTable[cnt]) | pg->pg_BitsMaskTable[cnt]; cnt = 0; pval = 0; len += 4; } } } } if(verlen != ps->ps_RawDataSize) { printf("Len %ld != %ld mismatch with %s\n", verlen, ps->ps_RawDataSize, ps->ps_Name); printf("Please check if this alignment is somehow corrupt!\n"); } //printf("\n"); ps->ps_SeqHash = hash; ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; } /* write pending bits (with eof bit) */ /* after a lot of experimenting, padding with SEQCODE_N is the only sensible thing to keep code size down and reduce cases */ *seqptr++ = ((pval * pg->pg_PowerTable[MAXCODEFITLONG - cnt]) << pg->pg_BitsShiftTable[MAXCODEFITLONG]) | pg->pg_BitsMaskTable[MAXCODEFITLONG]; //printf("[%08lx]\n", seqptr[-1]); /* add a final padding longword with SEQCODE_N */ *seqptr++ = pg->pg_BitsMaskTable[MAXCODEFITLONG]; /* and a terminating bit */ *seqptr = pg->pg_BitsMaskTable[0]; if(dbopen) /* close DB, if open */ { GB_commit_transaction(pg->pg_MainDB); } /* Enable caching again */ EnableCache(pg->pg_SpeciesCache); #if 0 /* debug */ { FILE *fh; char tmpbuf[80]; STRPTR str; sprintf(tmpbuf, "%s.raw", pg->pg_IndexName); str = DecompressSequence(pg, pg->pg_MergedRawData); fh = fopen(tmpbuf, "w"); fputs(str, fh); fclose(fh); free(str); } #endif /* calculate hash sum over all data */ //pg->pg_AllHashSum = GetSeqHash(pg, 0, pg->pg_TotalRawSize, 0); /* formerly a global hash, now only a random key to check integrity with other files. Database up2date state is checked with sequence hashes */ pg->pg_AllHashSum = rand(); pg->pg_Bench.ts_MergeDB = BenchTimePassed(pg); printf("Merged compressed database size: %ld KB\n", len >> 10); return(TRUE); } /* \\\ */ /* /// "PartitionPrefixScan() */ BOOL PartitionPrefixScan(struct PTPanGlobal *pg) { struct PTPanPartition *pp; ULONG cnt; ULONG prefix; ULONG seqpos; ULONG *seqptr; ULONG pval; ULONG maxpartblock; ULONG partsize; ULONG leftpresize; ULONG rightpresize; ULONG prefixstart; UWORD partcnt; BenchTimePassed(pg); printf("Step 2: Partition calculation...\n"); if(pg->pg_TotalRawSize < pg->pg_MaxPartitionSize) { /* everything fits into one partition */ pp = (struct PTPanPartition *) calloc(1, sizeof(struct PTPanPartition)); if(!pp) { return(FALSE); /* out of memory */ } /* fill in sensible values */ pp->pp_PTPanGlobal = pg; pp->pp_ID = 0; pp->pp_Prefix = 0; pp->pp_PrefixLen = 0; pp->pp_Size = pg->pg_TotalRawSize; pp->pp_RawOffset = 0; pp->pp_PartitionName = (STRPTR) calloc(strlen(pg->pg_IndexName) + 5, 1); strncpy(pp->pp_PartitionName, pg->pg_IndexName, strlen(pg->pg_IndexName) - 2); strcat(pp->pp_PartitionName, "t000"); AddTail(&pg->pg_Partitions, &pp->pp_Node); pg->pg_NumPartitions = 1; printf("Using only one partition for %ld leaves.\n", pp->pp_Size); return(TRUE); } if(!pg->pg_MergedRawData) /* safe checking */ { printf("Huh? No merged raw data. Blame your programmer NOW!\n"); return(FALSE); } /* make histogram */ pg->pg_HistoTable = (ULONG *) calloc(pg->pg_PowerTable[MAXPREFIXSIZE], sizeof(ULONG)); if(!pg->pg_HistoTable) { printf("Out of memory for histogram!\n"); return(FALSE); } /* NOTE: ordering for the index of a prefix in the table is: c_{m} + c_{m-1} * 5 + ... + c_{1} * 5^{m-1} This means that the last part of the prefix has the lowest significance. */ /* scan through the compressed database */ printf("Scanning through compact data...\n"); seqptr = pg->pg_MergedRawData; prefix = 0; cnt = 0; pval = 0; for(seqpos = 0; seqpos < pg->pg_TotalRawSize + MAXPREFIXSIZE - 1; seqpos++) { /* get sequence code from packed data */ if(!cnt) { pval = *seqptr++; cnt = GetCompressedLongSize(pg, pval); pval >>= pg->pg_BitsShiftTable[cnt]; } /* generate new prefix code */ prefix %= pg->pg_PowerTable[MAXPREFIXSIZE - 1]; prefix *= pg->pg_AlphaSize; prefix += (pval / pg->pg_PowerTable[--cnt]) % pg->pg_AlphaSize; /* increase histogram value */ if(seqpos >= MAXPREFIXSIZE - 1) { pg->pg_HistoTable[prefix]++; } } /* generate partitions */ cnt = 0; prefixstart = 0; maxpartblock = pg->pg_PowerTable[MAXPREFIXSIZE]; partsize = 0; partcnt = 0; pg->pg_MaxPrefixLen = 0; for(prefix = 0; prefix < pg->pg_PowerTable[MAXPREFIXSIZE];) { partsize++; cnt += pg->pg_HistoTable[prefix]; if((cnt > pg->pg_MaxPartitionSize) || (partsize >= maxpartblock)) { /* partition is full! */ if(prefixstart == prefix) { printf("Warning: Partition overflow! Increase MAXPREFIXSIZE!\n"); break; } else { ULONG ppos; /* check first, if we had to partition the thing anyway */ if(partsize < maxpartblock) { /* find out, how many leaves of the tree can be merged */ for(leftpresize = 0; leftpresize < MAXPREFIXSIZE; leftpresize++) { if(((prefixstart / pg->pg_PowerTable[leftpresize]) % pg->pg_AlphaSize) != 0) { break; } } /* check, if we're still in the same block */ if(prefix / pg->pg_PowerTable[leftpresize] == prefixstart / pg->pg_PowerTable[leftpresize]) { for(rightpresize = 0; rightpresize <= leftpresize; rightpresize++) { if(prefixstart + pg->pg_PowerTable[rightpresize] > prefix) { break; } } rightpresize--; /* setup maxpartblock for all subpartions */ maxpartblock = pg->pg_PowerTable[rightpresize]; prefix = prefixstart + maxpartblock - 1; } else { /* we crossed the boundary, do last partition */ prefix = prefixstart + pg->pg_PowerTable[leftpresize] - 1; maxpartblock = pg->pg_PowerTable[MAXPREFIXSIZE] - prefix - 1; } } else { /* we had to split the tree before, so this is just another leaf */ if((prefix + 1) % (maxpartblock * pg->pg_AlphaSize) == 0) { /* we have reached the last block, go back to the normal search */ maxpartblock = pg->pg_PowerTable[MAXPREFIXSIZE] - prefix - 1; } } //printf("New range: %ld - %ld\n", prefixstart, prefix); /* recalculate leaf count */ cnt = 0; for(ppos = prefixstart; ppos <= prefix; ppos++) { cnt += pg->pg_HistoTable[ppos]; } /* don't create empty trees! */ if(cnt) { /* get prefix length */ for(leftpresize = 1; leftpresize < MAXPREFIXSIZE; leftpresize++) { if((prefix - prefixstart) < pg->pg_PowerTable[leftpresize]) { break; } } pp = (struct PTPanPartition *) calloc(1, sizeof(struct PTPanPartition)); if(!pp) { return(FALSE); /* out of memory */ } /* fill in sensible values */ pp->pp_PTPanGlobal = pg; pp->pp_ID = partcnt++; pp->pp_Prefix = prefix / pg->pg_PowerTable[leftpresize]; pp->pp_PrefixLen = MAXPREFIXSIZE - leftpresize; pp->pp_Size = cnt; /* this is the point where you would change some things to support larger raw datasets than 2 GB */ pp->pp_RawOffset = 0; /* FIXME */ pp->pp_PartitionName = (STRPTR) calloc(strlen(pg->pg_IndexName) + 5, 1); strncpy(pp->pp_PartitionName, pg->pg_IndexName, strlen(pg->pg_IndexName) - 2); sprintf(&pp->pp_PartitionName[strlen(pg->pg_IndexName) - 2], "t%03ld", pp->pp_ID); AddTail(&pg->pg_Partitions, &pp->pp_Node); /* check, if we need a bigger prefix table */ if(pp->pp_PrefixLen > pg->pg_MaxPrefixLen) { pg->pg_MaxPrefixLen = pp->pp_PrefixLen; } #ifdef DEBUG { STRPTR tarseq = pg->pg_TempBuffer; ULONG ccnt = pp->pp_PrefixLen; do { *tarseq++ = pg->pg_DecompressTable[(pp->pp_Prefix / pg->pg_PowerTable[--ccnt]) % pg->pg_AlphaSize]; } while(ccnt); *tarseq = 0; printf("New partition %ld - %ld, size %ld, prefix = %ld, prefixlen = %ld %s\n", prefixstart, prefix, cnt, pp->pp_Prefix, pp->pp_PrefixLen, pg->pg_TempBuffer); } #endif } else { #ifdef DEBUG printf("Empty partition %ld - %ld\n", prefixstart, prefix); #endif } prefix++; /* restart */ prefixstart = prefix; cnt = 0; partsize = 0; } } else { prefix++; } } free(pg->pg_HistoTable); pg->pg_NumPartitions = partcnt; printf("Using %d partitions.\n", partcnt); pg->pg_Bench.ts_PrefixScan = BenchTimePassed(pg); return(TRUE); } /* \\\ */ /* /// "CreateTreeForPartition()" */ BOOL CreateTreeForPartition(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; printf("*** Partition %ld/%d: %ld nodes (%ld%%) ***\n", pp->pp_ID + 1, pg->pg_NumPartitions, pp->pp_Size, pp->pp_Size / (pg->pg_TotalRawSize / 100)); printf(">>> Phase 1: Building up suffix tree in memory... <<<\n"); BuildMemoryTree(pp); /* prepare tree building */ printf(">>> Phase 2: Calculating tree statistical data... <<<\n"); CalculateTreeStats(pp); /* write out tree */ printf(">>> Phase 3: Writing tree to secondary storage... <<<\n"); WriteTreeToDisk(pp); printf(">>> Phase 4: Freeing memory and cleaning it up... <<<\n"); /* return some memory not used anymore */ freeset(pp->pp_SfxNodes, NULL); freeset(pp->pp_BranchCode, NULL); freeset(pp->pp_ShortEdgeCode, NULL); freeset(pp->pp_LongEdgeLenCode, NULL); freeset(pp->pp_LongDictRaw, NULL); freeset(pp->pp_LeafBuffer, NULL); pp->pp_LevelStats = NULL; pp->pp_LeafBufferSize = 0; return(TRUE); } /* \\\ */ /* /// "BuildMemoryTree()" */ BOOL BuildMemoryTree(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG *seqptr ; ULONG pval, pvalnext; ULONG cnt; ULONG nodecnt; ULONG pos; ULONG len; ULONG window; BenchTimePassed(pg); /* setup node buffer: some notes about the node organisation: nodes are kept in a partly compressed way in memory already: they only store the number of edges they need. Therefore the big node buffer is split into two parts: - Nodes with three to five edges starting from the first offset and increasing - Nodes with two edges starting from the very end and decreasing - Leaf nodes are stored directly as offset inside a node with the MSB indicating that this ptr is a leaf. */ /* this is based on empirical data: Big Nodes are approx 8-15%, small nodes 60-90% */ pp->pp_SfxMemorySize = ((((pp->pp_Size / 100) * SMALLNODESPERCENT) * sizeof(struct SfxNode2Edges)) + (((pp->pp_Size / 100) * BIGNODESPERCENT) * sizeof(struct SfxNodeNEdges)) + (4UL << 20)) & ~3; if(pp->pp_SfxMemorySize >= (1UL << 30)) { pp->pp_SfxMemorySize = (1UL << 30)-4; printf("Warning! Memory limited to 1 GB! Might run out!\n"); } pp->pp_SfxNodes = (UBYTE *) malloc(pp->pp_SfxMemorySize); if(!pp->pp_SfxNodes) { printf("Couldn't allocate %ld KB for suffix nodes.\n", pp->pp_SfxMemorySize >> 10); return(FALSE); } /* init pointing offsets */ pp->pp_SfxNEdgeOffset = 0; pp->pp_Sfx2EdgeOffset = pp->pp_SfxMemorySize; printf("Allocated %ld KB suffix nodes buffer.\n", pp->pp_SfxMemorySize >> 10); /* fill in root node */ pp->pp_SfxRoot = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_SfxNEdgeOffset]; pp->pp_SfxRoot->sn_Parent = 0; pp->pp_SfxRoot->sn_StartPos = 0;//pos; pp->pp_SfxRoot->sn_EdgeLen = 0;//pg->pg_TotalRawSize - len; memset(pp->pp_SfxRoot->sn_Children, 0, pg->pg_AlphaSize * sizeof(ULONG)); pp->pp_SfxNEdgeOffset += sizeof(struct SfxNodeNEdges); /* main loop to build up the tree */ /* NOTE: as a special precaution, all longwords have MAXCODEFITLONG code length */ /* allocate quick lookup table. This is used to speed up traversal of the MAXQPREFIXLOOKUPSIZE lowest levels */ pp->pp_QuickPrefixLookup = (ULONG *) calloc(pg->pg_PowerTable[MAXQPREFIXLOOKUPSIZE], sizeof(ULONG)); if(!pp->pp_QuickPrefixLookup) { printf("Out of memory for Quick Prefix Lookup!\n"); return(FALSE); } len = pg->pg_TotalRawSize; seqptr = pg->pg_MergedRawData; /* get first longword */ pval = *seqptr++; pval >>= pg->pg_BitsShiftTable[MAXCODEFITLONG]; cnt = MAXCODEFITLONG; /* get second longword */ pvalnext = *seqptr++; pvalnext >>= pg->pg_BitsShiftTable[MAXCODEFITLONG]; pos = 0; nodecnt = 0; pp->pp_QuickPrefixCount = 0; len -= MAXCODEFITLONG; do { BOOL takepos; window = ((pval % pg->pg_PowerTable[cnt]) * pg->pg_PowerTable[MAXCODEFITLONG - cnt]) + (pvalnext / pg->pg_PowerTable[cnt]); if(pp->pp_PrefixLen) { /* check, if the prefix matches */ takepos = (window / pg->pg_PowerTable[MAXCODEFITLONG - pp->pp_PrefixLen] == pp->pp_Prefix); } else { takepos = TRUE; /* it's all one big partition */ } if(takepos) /* only add this position, if it matches the prefix */ { if(!(InsertTreePos(pp, pos, window))) { break; } if((++nodecnt & 0x3fff) == 0) { if((nodecnt >> 14) % 50) { printf("."); fflush(stdout); } else { printf(". %2ld%% (%6ld KB free)\n", pos / (pg->pg_TotalRawSize / 100), (pp->pp_Sfx2EdgeOffset - pp->pp_SfxNEdgeOffset) >> 10); } } } /* get next byte */ cnt--; if(len) { if(!cnt) { /* get next position */ pval = pvalnext; pvalnext = *seqptr++; pvalnext >>= pg->pg_BitsShiftTable[MAXCODEFITLONG]; cnt = MAXCODEFITLONG; } len--; } else { if(!cnt) { pval = pvalnext; pvalnext = 0; cnt = MAXCODEFITLONG; } } } while(++pos < pg->pg_TotalRawSize); pp->pp_NumBigNodes = pp->pp_SfxNEdgeOffset / sizeof(struct SfxNodeNEdges); pp->pp_NumSmallNodes = (pp->pp_SfxMemorySize - pp->pp_Sfx2EdgeOffset) / sizeof(struct SfxNode2Edges); printf("DONE! (%ld KB unused)\n", (pp->pp_Sfx2EdgeOffset - pp->pp_SfxNEdgeOffset) >> 10); /* free some memory not required anymore */ freeset(pp->pp_QuickPrefixLookup, NULL); printf("Quick Prefix Lookup speedup: %ld%% (%ld)\n", (pp->pp_QuickPrefixCount * 100) / pp->pp_Size, pp->pp_QuickPrefixCount); if(pp->pp_Size != nodecnt) { printf("Something very bad has happened! Predicted partition size [%ld] didn't\n" "match the actual generated nodes [%ld].\n", pp->pp_Size, nodecnt); return(FALSE); } printf("Nodes : %6ld\n", nodecnt); printf("SmallNodes: %6ld (%ld%%)\n", pp->pp_NumSmallNodes, (pp->pp_NumSmallNodes * 100) / nodecnt); printf("BigNodes : %6ld (%ld%%)\n", pp->pp_NumBigNodes, (pp->pp_NumBigNodes * 100) / nodecnt); pg->pg_Bench.ts_MemTree += BenchTimePassed(pg); return(TRUE); } /* \\\ */ /* /// "CommonSequenceLength()" */ ULONG CommonSequenceLength(struct PTPanPartition *pp, ULONG spos1, ULONG spos2, ULONG maxlen) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG *seqptr = pg->pg_MergedRawData; ULONG off1 = spos1 / MAXCODEFITLONG; ULONG cnt1 = spos1 % MAXCODEFITLONG; ULONG off2 = spos2 / MAXCODEFITLONG; ULONG cnt2 = spos2 % MAXCODEFITLONG; ULONG len = 0; /* a note on the implementation: this routine will not work correctly, if the sequences are identical or completely of SEQCODE_N, as it doesn't detect the end of sequence bits, but assumes MAXCODEFITLONG entries for all longwords. */ /* compare one code */ while((((seqptr[off1] >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) / pg->pg_PowerTable[MAXCODEFITLONG - cnt1 - 1]) % pg->pg_AlphaSize) == (((seqptr[off2] >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) / pg->pg_PowerTable[MAXCODEFITLONG - cnt2 - 1]) % pg->pg_AlphaSize)) { /* loop while code is identical */ len++; if(len >= maxlen) { break; } if(++cnt1 >= MAXCODEFITLONG) { cnt1 = 0; off1++; } if(++cnt2 >= MAXCODEFITLONG) { cnt2 = 0; off2++; } } return(len); } /* \\\ */ /* /// "CompareCompressedSequence()" */ LONG CompareCompressedSequence(struct PTPanGlobal *pg, ULONG spos1, ULONG spos2) { ULONG *seqptr = pg->pg_MergedRawData; ULONG off1 = spos1 / MAXCODEFITLONG; ULONG cnt1 = spos1 % MAXCODEFITLONG; ULONG off2 = spos2 / MAXCODEFITLONG; ULONG cnt2 = spos2 % MAXCODEFITLONG; ULONG window1, window2; /* a note on the implementation: this routine will not work correctly, if the sequences are identical or completely of SEQCODE_N, as it doesn't detect the end of sequence bits, but assumes MAXCODEFITLONG entries for all longwords. */ do { /* get windows */ /* I know this looks like very obfusciated code, but take your time and you will understand: take a few codebits from the one longword, add a few bits from the other */ window1 = (((seqptr[off1] >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) % pg->pg_PowerTable[MAXCODEFITLONG - cnt1]) * pg->pg_PowerTable[cnt1]) + ((seqptr[off1 + 1] >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) / pg->pg_PowerTable[MAXCODEFITLONG - cnt1]); window2 = (((seqptr[off2] >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) % pg->pg_PowerTable[MAXCODEFITLONG - cnt2]) * pg->pg_PowerTable[cnt2]) + ((seqptr[off2 + 1] >> pg->pg_BitsShiftTable[MAXCODEFITLONG]) / pg->pg_PowerTable[MAXCODEFITLONG - cnt2]); /* compare the windows */ if(window1 == window2) { /* was the same, look at next position */ if(++cnt1 >= MAXCODEFITLONG) { cnt1 = 0; off1++; } if(++cnt2 >= MAXCODEFITLONG) { cnt2 = 0; off2++; } } else { return(((LONG) window1) - ((LONG) window2)); } } while(TRUE); return(0); /* never reached */ } /* \\\ */ /* /// "InsertTreePos()" */ BOOL InsertTreePos(struct PTPanPartition *pp, ULONG pos, ULONG window) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode = pp->pp_SfxRoot; struct SfxNode *prevnode; ULONG *seqptr = pg->pg_MergedRawData; ULONG relptr; ULONG len; UBYTE seqcode; ULONG childptr; UWORD childidx, childcnt; UWORD previdx; BOOL childisleaf; ULONG prefix; ULONG treepos; prefix = window / pg->pg_PowerTable[MAXCODEFITLONG - MAXQPREFIXLOOKUPSIZE]; /* see if we can use a quick lookup to skip the root levels of the tree */ if((childptr = pp->pp_QuickPrefixLookup[prefix]) && (pos + MAXQPREFIXLOOKUPSIZE < pg->pg_TotalRawSize)) { pp->pp_QuickPrefixCount++; sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[childptr]; pos += MAXQPREFIXLOOKUPSIZE; treepos = MAXQPREFIXLOOKUPSIZE; } else { treepos = 0; } len = pg->pg_TotalRawSize - pos; while(len) { /* get first sequence code */ seqcode = GetSeqCodeQuick(pos); /*printf("[%ld%c] ", pos, //((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes), pg->pg_DecompressTable[seqcode]);*/ /* check, if there's already a child */ relptr = 0; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer and doesn't contain a seqcode */ childptr &= ~LEAFMASK; childptr += treepos; //printf("<%c>", pg->pg_DecompressTable[GetSeqCodeQuick(childptr)]); if(GetSeqCodeQuick(childptr) == seqcode) { /* fill in a dummy relptr -- we'll use childptr later */ relptr = ~0UL; childisleaf = TRUE; break; } } else { //printf("[%c]", pg->pg_DecompressTable[childptr >> RELOFFSETBITS]); if((childptr >> RELOFFSETBITS) == seqcode) { /* hey, we actually found the right child */ relptr = (childptr & RELOFFSETMASK) << 2; childisleaf = FALSE; break; } } } /* did we find a child? */ if(relptr) { ULONG matchsize; if(childisleaf) { struct SfxNode *splitnode; /* relptr is no pointer to a node, but a startpos instead */ matchsize = CommonSequenceLength(pp, pos, childptr, pg->pg_TotalRawSize - childptr); /* this will always lead to partial matches! */ /* allocate a new branching node */ pp->pp_Sfx2EdgeOffset -= sizeof(struct SfxNode2Edges); /*printf("Leaf split (pos %ld, len %ld): %d (%c != %c) -> [%ld]\n", pos, len, matchsize, pg->pg_DecompressTable[GetSeqCodeQuick(childptr + matchsize)], pg->pg_DecompressTable[GetSeqCodeQuick(pos + matchsize)], pp->pp_Sfx2EdgeOffset);*/ splitnode = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_Sfx2EdgeOffset]; /* fill in the node with the two leaves */ splitnode->sn_Parent = ((((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes)) >> 2) | (2 << RELOFFSETBITS); splitnode->sn_StartPos = childptr; splitnode->sn_EdgeLen = matchsize; splitnode->sn_Children[0] = LEAFMASK | (childptr - treepos); splitnode->sn_Children[1] = LEAFMASK | (pos - treepos); /*printf("Child0 = %ld, Child1 = %ld\n", splitnode->sn_Children[0] & ~LEAFMASK, splitnode->sn_Children[1] & ~LEAFMASK);*/ #if 0 // debug if(GetSeqCodeQuick(childptr + matchsize) == GetSeqCodeQuick(pos + matchsize)) { printf("CIS: %ld<->%ld [%ld|%ld] (matchsize %ld)\n", GetSeqCodeQuick(childptr + matchsize), GetSeqCodeQuick(pos + matchsize), childptr, pos, matchsize); } #endif /* fix downlink (child) pointer */ sfxnode->sn_Children[childidx] = (seqcode << RELOFFSETBITS) | (pp->pp_Sfx2EdgeOffset >> 2); break; } //printf("->[%ld]", relptr); /* okay, there is a child, get it */ prevnode = sfxnode; previdx = childidx; /* is needed for correcting the downlink ptr */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[relptr]; /* compare its edge */ if(sfxnode->sn_EdgeLen > 1) { matchsize = CommonSequenceLength(pp, pos, sfxnode->sn_StartPos, sfxnode->sn_EdgeLen); } else { matchsize = 1; } if(matchsize < sfxnode->sn_EdgeLen) /* did the whole edge match? */ { struct SfxNode *upnode; //printf("Partmatch(%ld, %ld): %d\n", pos, len, matchsize); /* we only had a partial match, we need to split the node */ /* allocate a new node */ pp->pp_Sfx2EdgeOffset -= sizeof(struct SfxNode2Edges); upnode = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_Sfx2EdgeOffset]; /* fix linkage of middle node and set two edges */ upnode->sn_Parent = ((((ULONG) prevnode) - ((ULONG) pp->pp_SfxNodes)) >> 2) | (2 << RELOFFSETBITS); upnode->sn_StartPos = sfxnode->sn_StartPos; upnode->sn_EdgeLen = matchsize; upnode->sn_Children[0] = ((((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes)) >> 2) | (GetSeqCodeQuick(upnode->sn_StartPos + matchsize) << RELOFFSETBITS); /* enter child leaf node */ upnode->sn_Children[1] = LEAFMASK | (pos - treepos); #if 0 // debug if(GetSeqCodeQuick(upnode->sn_StartPos + matchsize) == GetSeqCodeQuick(pos + matchsize)) { printf("SN: %ld<->%ld\n", GetSeqCodeQuick(upnode->sn_StartPos + matchsize), GetSeqCodeQuick(pos + matchsize)); } #endif /* fix sfxnode linkage and edge */ sfxnode->sn_Parent = (pp->pp_Sfx2EdgeOffset >> 2) | (sfxnode->sn_Parent & ~RELOFFSETMASK); sfxnode->sn_StartPos += matchsize; sfxnode->sn_EdgeLen -= matchsize; /* fix prevnode */ prevnode->sn_Children[childidx] = (pp->pp_Sfx2EdgeOffset >> 2) | (prevnode->sn_Children[childidx] & ~RELOFFSETMASK); if(pp->pp_SfxNEdgeOffset >= pp->pp_Sfx2EdgeOffset) { printf("Node buffer was too small!\n"); return(FALSE); } break; } else { /* the whole edge matched, just follow the path */ /*printf("Wholematch(%ld, %ld): %d [%d] -> %ld\n", pos, len, matchsize, seqcode, (((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes)));*/ pos += matchsize; len -= matchsize; treepos += matchsize; } } else { childcnt = (sfxnode->sn_Parent >> RELOFFSETBITS); /*printf("New leaf[%d]-(pos %ld, len %ld): (%c)\n", childcnt, pos, len, pg->pg_DecompressTable[seqcode]);*/ if((childcnt == 2) && (sfxnode != pp->pp_SfxRoot)) { struct SfxNode *bignode; struct SfxNode *lastnode; /* we need to expand this node from 2 to 5 branches first */ /*printf("2T5 [%ld]->[%ld] [%ld]->[%ld]\n", ((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes), pp->pp_SfxNEdgeOffset, pp->pp_Sfx2EdgeOffset, ((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes));*/ /* allocate a new big node */ bignode = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_SfxNEdgeOffset]; /* copy node */ memcpy(bignode, sfxnode, sizeof(struct SfxNode2Edges)); /* fix prevnode -> bignode child pointer */ prevnode->sn_Children[previdx] = (pp->pp_SfxNEdgeOffset >> 2) | (prevnode->sn_Children[previdx] & ~RELOFFSETMASK); /* fix children -> bignode parent pointers */ childidx = 2; //(bignode->sn_Parent >> RELOFFSETBITS); while(childidx--) { childptr = bignode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) /* only check for real nodes */ { relptr = (childptr & RELOFFSETMASK) << 2; //printf("Fixup childidx=%d from %ld\n", childidx, relptr); /* fix the pointer to new location */ prevnode = (struct SfxNode *) &pp->pp_SfxNodes[relptr]; prevnode->sn_Parent = (prevnode->sn_Parent & ~RELOFFSETMASK) | (((ULONG) bignode) - ((ULONG) pp->pp_SfxNodes) >> 2); } } /* avoid copy, if both are the same */ if(pp->pp_Sfx2EdgeOffset != ((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes)) { /* regain memory by copying last two edge node into hole */ lastnode = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_Sfx2EdgeOffset]; /* copy node */ memcpy(sfxnode, lastnode, sizeof(struct SfxNode2Edges)); /* find lastnode->parent->lastnode downward pointer */ prevnode = (struct SfxNode *) &pp->pp_SfxNodes[(lastnode->sn_Parent & RELOFFSETMASK) << 2]; childidx = (prevnode->sn_Parent >> RELOFFSETBITS); while(childidx--) { childptr = prevnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) /* only check for real nodes */ { if((childptr & RELOFFSETMASK) == (pp->pp_Sfx2EdgeOffset >> 2)) { /* fix the pointer to new location */ /*printf("Fixdown childidx=%d from %ld\n", childidx, lastnode->sn_Parent & RELOFFSETMASK);*/ prevnode->sn_Children[childidx] = (childptr & ~RELOFFSETMASK) | (((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes) >> 2); break; } } } /* fix children->parent upward pointers */ childidx = 2;//(lastnode->sn_Parent >> RELOFFSETBITS); while(childidx--) { childptr = lastnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) /* only check for real nodes */ { relptr = (childptr & RELOFFSETMASK) << 2; //printf("Fixup childidx=%d from %ld\n", childidx, relptr); /* fix the pointer to new location */ prevnode = (struct SfxNode *) &pp->pp_SfxNodes[relptr]; prevnode->sn_Parent = (prevnode->sn_Parent & ~RELOFFSETMASK) | (((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes) >> 2); } } } /* we're done with the fixing, now correct memory usage */ sfxnode = bignode; pp->pp_Sfx2EdgeOffset += sizeof(struct SfxNode2Edges); pp->pp_SfxNEdgeOffset += sizeof(struct SfxNodeNEdges); if(treepos == MAXQPREFIXLOOKUPSIZE) { pp->pp_QuickPrefixLookup[prefix] = ((ULONG) sfxnode) - ((ULONG) pp->pp_SfxNodes); } } /* enter new child */ sfxnode->sn_Children[childcnt] = LEAFMASK | (pos - treepos); //printf("New child: %ld (%ld)\n", pos-treepos, treepos); /* increase edgecount */ sfxnode->sn_Parent += (1UL << RELOFFSETBITS); break; } } //printf("Done (2E: %ld NE: %ld)\n", pp->pp_Sfx2EdgeOffset, pp->pp_SfxNEdgeOffset); return(TRUE); } /* \\\ */ /* /// "CalculateTreeStats()" */ BOOL CalculateTreeStats(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG cnt; ULONG edgetotal; ULONG bitsused; ULONG threshold; BenchTimePassed(pg); /* now we need some statistical data. this includes: a) the maximum depth of the tree b) the number of nodes and leaves on each level (i.e. population) out of b) we will generate the TREE PRUNING DEPTH c) the appearance of all branch combinations (branch combo mask) up to the pruning depth out of c) we will generate a HUFFMAN CODE for the branch ptr mask d) the occurrences of the short edges codes and the number of long edges out of d) we will generate a HUFFMAN CODE for the edge codes moreover, it replaces the short edges by the indexes to the huffman code (sn_StartPos is recycled, gets bit 30 set). e) generating a HUFFMAN CODE fo the long edge lengths f) generating a lookup DICTIONARY for the long edge codes f) will allow storing shorter label pointers and only a fraction of memory for lookup long edges will be replaced by the position in the dictionary (sn_StartPos is recycled, gets bit 31 set). */ //memset(pp->pp_EdgeBranchTable, 0, ALPHASIZE * sizeof(ULONG)); #if 0 /* debug */ pp->pp_VerifyArray = (UBYTE *) calloc(pg->pg_TotalRawSize+1, 1); /* verify the correctness of the tree */ printf("Verifying correctness of the tree...\n"); GetTreeStatsVerifyRec(pp, 0, 0, 0); for(cnt = 0; cnt < ((pg->pg_TotalRawSize + 7) >> 3); cnt++) { if(pp->pp_VerifyArray[cnt] != 0xff) { printf("Hole in Position %ld to %ld (%02x)\n", cnt << 3, (cnt << 3)+7, pp->pp_VerifyArray[cnt]); } else { /*printf("Good in Position %ld to %ld (%02x)\n", cnt << 3, (cnt << 3)+7, pp->pp_VerifyArray[cnt]);*/ } } free(pp->pp_VerifyArray); #endif /* calculate maximum depth of the tree */ pp->pp_MaxTreeDepth = 0; GetTreeStatsTreeDepthRec(pp, 0, 0); pp->pp_MaxTreeDepth++; /* increase by one due to leaf level */ printf("Max tree depth: %ld\n", pp->pp_MaxTreeDepth); /* generate statistical data, part 2: level population */ pp->pp_LevelStats = (struct TreeLevelStats *) calloc(pp->pp_MaxTreeDepth, sizeof(struct TreeLevelStats)); GetTreeStatsLevelRec(pp, 0, 0); /* calculate missing total values and pruning position */ if(pg->pg_PruneLength) { pp->pp_TreePruneDepth = pg->pg_PruneLength; pp->pp_TreePruneLength = pg->pg_PruneLength; } else { pp->pp_TreePruneDepth = 20; /* FIXME */ pp->pp_TreePruneLength = 20; /* FIXME */ } cnt = pp->pp_MaxTreeDepth; while(cnt--) { pp->pp_LevelStats[cnt].tls_TotalLeafCount = pp->pp_LevelStats[cnt].tls_LeafCount; pp->pp_LevelStats[cnt].tls_TotalNodeCount = pp->pp_LevelStats[cnt].tls_NodeCount; if(cnt < pp->pp_MaxTreeDepth-1) { pp->pp_LevelStats[cnt].tls_TotalLeafCount += pp->pp_LevelStats[cnt+1].tls_TotalLeafCount; pp->pp_LevelStats[cnt].tls_TotalNodeCount += pp->pp_LevelStats[cnt+1].tls_TotalNodeCount; /* calculate tree pruning depth. currently, will prune at 66% of the leaves covered */ if(!pp->pp_TreePruneDepth) { if(pp->pp_LevelStats[cnt].tls_TotalLeafCount > pp->pp_Size / 3) { pp->pp_TreePruneDepth = cnt; } } } } /* debug output */ #if 0 for(cnt = 0; cnt < pp->pp_MaxTreeDepth; cnt++) { printf("Level %3ld: Nodes=%6ld, Leaves=%6ld, TotalNodes=%6ld, TotalLeaves=%6ld\n", cnt, pp->pp_LevelStats[cnt].tls_NodeCount, pp->pp_LevelStats[cnt].tls_LeafCount, pp->pp_LevelStats[cnt].tls_TotalNodeCount, pp->pp_LevelStats[cnt].tls_TotalLeafCount); } #endif printf("Tree pruning at depth %ld, length %ld.\n", pp->pp_TreePruneDepth, pp->pp_TreePruneLength); freeset(pp->pp_LevelStats, NULL); /* allocate branch histogram */ pp->pp_BranchCode = (struct HuffCode *) calloc(1UL << pg->pg_AlphaSize, sizeof(struct HuffCode)); if(!pp->pp_BranchCode) { printf("Out of memory for Branch Histogram!\n"); return(FALSE); } GetTreeStatsBranchHistoRec(pp, 0, 0, 0); /* generate statistical data, part 3: edge lengths and combinations */ /* allocate short edge code histogram (for edges between of 2-7 base pairs) */ bitsused = pg->pg_BitsUseTable[SHORTEDGEMAX]+1; pp->pp_ShortEdgeCode = (struct HuffCode *) calloc((1UL << bitsused), sizeof(struct HuffCode)); if(!pp->pp_ShortEdgeCode) { printf("Out of memory for Short Edge Histogram!\n"); return(FALSE); } /* get short edge stats */ pp->pp_EdgeCount = 0; pp->pp_ShortEdgeCode[1].hc_Weight++; GetTreeStatsShortEdgesRec(pp, 0, 0, 0); /* define threshold for small edge optimization */ threshold = pp->pp_EdgeCount / 10000; /* calculate the number of longedges required */ edgetotal = pp->pp_EdgeCount; for(cnt = 1; cnt < (1UL << bitsused); cnt++) { if(pp->pp_ShortEdgeCode[cnt].hc_Weight > threshold) /* code will remain in the table */ { edgetotal -= pp->pp_ShortEdgeCode[cnt].hc_Weight; } } /* code 0 will be used for long edges */ pp->pp_ShortEdgeCode[0].hc_Weight = edgetotal; printf("Considering %ld (%ld+%ld) edges for the final tree.\n", pp->pp_EdgeCount, pp->pp_EdgeCount - edgetotal, edgetotal); /* generate huffman code for short edge, but only for codes that provide at least 1/10000th of the edges (other stuff goes into the long edges) */ printf("Generating huffman code for short edges\n"); BuildHuffmanCode(pp->pp_ShortEdgeCode, (1UL << bitsused), threshold); #if 0 /* debug */ for(cnt = 0; cnt < (1UL << bitsused); cnt++) { WORD bitcnt; if(pp->pp_ShortEdgeCode[cnt].hc_CodeLength) { printf("%6ld: %7ld -> %2d ", cnt, pp->pp_ShortEdgeCode[cnt].hc_Weight, pp->pp_ShortEdgeCode[cnt].hc_CodeLength); for(bitcnt = pp->pp_ShortEdgeCode[cnt].hc_CodeLength - 1; bitcnt >= 0; bitcnt--) { printf("%s", pp->pp_ShortEdgeCode[cnt].hc_Codec & (1UL << bitcnt) ? "1" : "0"); } printf("\n"); } } #endif /* now generate dictionary for the long edges. This is done by generating an array of all long edges and then sorting it according to the length. Then, the dictionary string is built up. It replaces the starting pos with the pos in the dictionary and sets bit 31 to indicate this. */ //GetTreeStatsDebugRec(pp, 0, 0); pg->pg_Bench.ts_TreeStats += BenchTimePassed(pg); BuildLongEdgeDictionary(pp); BenchTimePassed(pg); /* generate huffman code for edge bit mask, saves 1-2 bits per node */ printf("Generating huffman code for branch mask\n"); BuildHuffmanCode(pp->pp_BranchCode, (1UL << pg->pg_AlphaSize), 0); /* debug output */ #if 0 for(cnt = 0; cnt < (1UL << pg->pg_AlphaSize); cnt++) { WORD bitcnt; if(pp->pp_BranchCode[cnt].hc_Weight) { printf("%2ld: %6ld -> %2d ", cnt, pp->pp_BranchCode[cnt].hc_Weight, pp->pp_BranchCode[cnt].hc_CodeLength); for(bitcnt = 0; bitcnt < pg->pg_AlphaSize; bitcnt++) { printf("%c", (cnt & (1UL << bitcnt)) ? pg->pg_DecompressTable[bitcnt] : ' '); } printf(" "); for(bitcnt = pp->pp_BranchCode[cnt].hc_CodeLength - 1; bitcnt >= 0; bitcnt--) { printf("%s", pp->pp_BranchCode[cnt].hc_Codec & (1UL << bitcnt) ? "1" : "0"); } printf("\n"); } } #endif pg->pg_Bench.ts_TreeStats += BenchTimePassed(pg); //GetTreeStatsDebugRec(pp, 0, 0); return(TRUE); } /* \\\ */ /* /// "GetTreeStatsDebugRec()" */ void GetTreeStatsDebugRec(struct PTPanPartition *pp, ULONG pos, ULONG level) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; ULONG cnt; ULONG *seqptr = pg->pg_MergedRawData; level++; sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; printf("Pos: [%08lx], Level %ld, Edge [", pos, level); if(sfxnode->sn_StartPos & (3UL << 30)) { printf("%08lx", sfxnode->sn_StartPos); } else { for(cnt = 0; cnt < sfxnode->sn_EdgeLen; cnt++) { printf("%c", pg->pg_DecompressTable[GetSeqCodeQuick(cnt + sfxnode->sn_StartPos)]); } } printf("] EdgeStart %ld, EdgeLen %d children %d\nChildren: ", sfxnode->sn_StartPos, sfxnode->sn_EdgeLen, childidx); while(childidx--) { childptr = sfxnode->sn_Children[childidx]; printf("[%08lx] ", childptr); } printf("\n"); if(level < 3) { /* traverse children */ childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) { /* this is a normal node pointer, recurse */ GetTreeStatsDebugRec(pp, (childptr & RELOFFSETMASK) << 2, level); } } } printf("End Level %ld\n", level); } /* \\\ */ /* /// "GetTreeStatsTreeDepthRec()" */ void GetTreeStatsTreeDepthRec(struct PTPanPartition *pp, ULONG pos, ULONG level) { struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; /* calculate maximum tree depth */ if(++level > pp->pp_MaxTreeDepth) { pp->pp_MaxTreeDepth = level; } /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) { /* this is a normal node pointer, recurse */ GetTreeStatsTreeDepthRec(pp, (childptr & RELOFFSETMASK) << 2, level); } } } /* \\\ */ /* /// "GetTreeStatsLevelRec()" */ void GetTreeStatsLevelRec(struct PTPanPartition *pp, ULONG pos, ULONG level) { struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; //sfxnode->sn_Parent |= RELOFFSETMASK; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* update leaf counter */ pp->pp_LevelStats[level+1].tls_LeafCount++; } else { /* this is a normal node pointer, recurse */ GetTreeStatsLevelRec(pp, (childptr & RELOFFSETMASK) << 2, level+1); /* update node counter */ pp->pp_LevelStats[level].tls_NodeCount++; } } } /* \\\ */ /* /// "GetTreeStatsShortEdgesRec()" */ void GetTreeStatsShortEdgesRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG edgelen; ULONG epos; ULONG prefix; ULONG *seqptr = pg->pg_MergedRawData; struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; /* update short edge code histogram */ epos = sfxnode->sn_StartPos + 1; edgelen = sfxnode->sn_EdgeLen; /* do we need to truncate the edge? */ if(elen + edgelen > pp->pp_TreePruneLength) { edgelen = pp->pp_TreePruneLength - elen; sfxnode->sn_EdgeLen = edgelen; } elen += edgelen; if((edgelen > 1) && (edgelen <= SHORTEDGEMAX)) { prefix = 0; while(--edgelen) { prefix *= pg->pg_AlphaSize; prefix += GetSeqCodeQuick(epos); epos++; } /* add stop bit */ prefix |= 1UL << pg->pg_BitsUseTable[sfxnode->sn_EdgeLen - 1]; pp->pp_ShortEdgeCode[prefix].hc_Weight++; } else if(edgelen == 1) { pp->pp_ShortEdgeCode[1].hc_Weight++; /* also count length==1 edges */ } /* increase edgecount */ pp->pp_EdgeCount++; /* check for maximum depth reached */ if((++level >= pp->pp_TreePruneDepth) || (elen >= pp->pp_TreePruneLength)) { //printf("SE Level %ld, Epos %ld\n", level, elen); return; } /* traverse children */ childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) { /* this is a normal node pointer, recurse */ GetTreeStatsShortEdgesRec(pp, (childptr & RELOFFSETMASK) << 2, level, elen); } else { /* implicit singular edge */ childptr &= ~LEAFMASK; epos = childptr + 1; edgelen = pp->pp_TreePruneLength - elen; if((edgelen > 1) && (edgelen <= SHORTEDGEMAX)) { prefix = 0; while(--edgelen) { prefix *= pg->pg_AlphaSize; prefix += GetSeqCodeQuick(epos); epos++; } /* add stop bit */ prefix |= 1UL << pg->pg_BitsUseTable[pp->pp_TreePruneLength - elen - 1]; pp->pp_ShortEdgeCode[prefix].hc_Weight++; } else if(edgelen == 1) { pp->pp_ShortEdgeCode[1].hc_Weight++; /* also count length==1 edges */ } /* increase edgecount */ pp->pp_EdgeCount++; } } } /* \\\ */ /* /// "GetTreeStatsLongEdgesRec()" */ void GetTreeStatsLongEdgesRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; ULONG edgelen; ULONG epos; ULONG prefix; ULONG *seqptr = pg->pg_MergedRawData; struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; UWORD seqcode; sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; /* update short edge code histogram */ epos = sfxnode->sn_StartPos + 1; edgelen = sfxnode->sn_EdgeLen; /* do we need to truncate the edge? */ #if 0 /* debug */ if(elen + edgelen > pp->pp_TreePruneLength) { edgelen = pp->pp_TreePruneLength - elen; printf("DARF NICHT!"); sfxnode->sn_EdgeLen = edgelen; } #endif elen += edgelen; if(edgelen > 1) { if(edgelen <= SHORTEDGEMAX) { prefix = 0; while(--edgelen) { prefix *= pg->pg_AlphaSize; prefix += GetSeqCodeQuick(epos); epos++; } /* add stop bit */ prefix |= 1UL << pg->pg_BitsUseTable[sfxnode->sn_EdgeLen - 1]; /* check, if this edge doesn't have a huffman code */ if(!pp->pp_ShortEdgeCode[prefix].hc_CodeLength) { pp->pp_LongEdges[pp->pp_LongEdgeCount++] = sfxnode; } else { /* replace sn_StartPos by huffman code index */ sfxnode->sn_StartPos = prefix | (1UL << 30); } } else { /* this is a long edge anyway and has no huffman code */ pp->pp_LongEdges[pp->pp_LongEdgeCount++] = sfxnode; } } else if(edgelen == 1) { /* replace sn_StartPos by huffman code index */ sfxnode->sn_StartPos = 1 | (1UL << 30); } /* check for maximum depth reached */ if((++level >= pp->pp_TreePruneDepth) || (elen >= pp->pp_TreePruneLength)) { //printf("LE Level %ld, Epos %ld\n", level, elen); return; } /* traverse children */ childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; #if 1 // extra leaves switch (see 4.3.4 of diploma thesis) if(childptr >> LEAFBIT) { /* implicit singular edge */ struct SfxNode *tinynode; /* allocate a new branching node */ pp->pp_Sfx2EdgeOffset -= sizeof(struct SfxNode2Edges) - sizeof(ULONG); /* only one child! */ if(pp->pp_SfxNEdgeOffset >= pp->pp_Sfx2EdgeOffset) { printf("Node buffer was too small!\n"); return; } childptr &= ~LEAFMASK; /* fill in node data */ tinynode = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_Sfx2EdgeOffset]; tinynode->sn_Parent = 1UL << RELOFFSETBITS; /* one edge */ tinynode->sn_StartPos = childptr + elen; tinynode->sn_EdgeLen = pp->pp_TreePruneLength - elen; seqcode = GetSeqCodeQuick(childptr + elen + tinynode->sn_EdgeLen); tinynode->sn_AlphaMask = 1UL << SEQCODE_N; /* we don't need this branch code anymore */ pp->pp_BranchCode[tinynode->sn_AlphaMask].hc_Weight++; tinynode->sn_Children[0] = childptr | LEAFMASK; /* fix link */ seqcode = GetSeqCodeQuick(childptr + elen); childptr = pp->pp_Sfx2EdgeOffset >> 2; sfxnode->sn_Children[childidx] = childptr | (seqcode << RELOFFSETBITS); } #endif if(!(childptr >> LEAFBIT)) { /* this is a normal node pointer, recurse */ GetTreeStatsLongEdgesRec(pp, (childptr & RELOFFSETMASK) << 2, level, elen); } } } /* \\\ */ /* /// "GetTreeStatsBranchHistoRec()" */ void GetTreeStatsBranchHistoRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG *seqptr = pg->pg_MergedRawData; ULONG childptr; UWORD childidx; ULONG alphamask = 0; ULONG tmpmem[ALPHASIZE]; UWORD seqcode; /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; level++; elen += sfxnode->sn_EdgeLen; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer and doesn't contain a seqcode */ childptr &= ~LEAFMASK; seqcode = GetSeqCodeQuick(childptr + elen); tmpmem[seqcode] = sfxnode->sn_Children[childidx]; alphamask |= 1UL << seqcode; } else { /* this is a normal node pointer, recurse */ seqcode = childptr >> RELOFFSETBITS; tmpmem[seqcode] = sfxnode->sn_Children[childidx]; alphamask |= 1UL << seqcode; /* check for maximum depth reached */ if((level < pp->pp_TreePruneDepth) && (elen < pp->pp_TreePruneLength)) { GetTreeStatsBranchHistoRec(pp, (childptr & RELOFFSETMASK) << 2, level, elen); } } } /* update branch histogramm */ pp->pp_BranchCode[alphamask].hc_Weight++; sfxnode->sn_AlphaMask = alphamask; /* sort branches and enter alphamask */ childidx = 0; seqcode = 0; do { if(alphamask & (1UL << seqcode)) { sfxnode->sn_Children[childidx++] = tmpmem[seqcode]; } } while(++seqcode < pg->pg_AlphaSize); } /* \\\ */ /* /// "GetTreeStatsVerifyRec()" */ void GetTreeStatsVerifyRec(struct PTPanPartition *pp, ULONG pos, ULONG treepos, ULONG hash) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG *seqptr = pg->pg_MergedRawData; ULONG childptr; UWORD childidx; ULONG newhash; /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; if(sfxnode->sn_EdgeLen) { treepos += sfxnode->sn_EdgeLen; hash = GetSeqHash(pg, sfxnode->sn_StartPos, sfxnode->sn_EdgeLen, hash); } while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer and doesn't contain a seqcode */ childptr &= ~LEAFMASK; childptr += treepos; /* set bit to verify position */ if(childptr < treepos) { printf("Childptr %ld < treepos %ld (pos %ld)\n", childptr, treepos, pos); } if(childptr >= pg->pg_TotalRawSize) { printf("Childptr %ld > total size %ld (pos %ld, treepos %ld, sn_EdgeLen %d)\n", childptr, pg->pg_TotalRawSize, pos, treepos, sfxnode->sn_EdgeLen); } if(pp->pp_VerifyArray) { if(pp->pp_VerifyArray[(childptr-treepos) >> 3] & (1UL << ((childptr-treepos) & 7))) { printf("Clash at pos %ld, ptr %ld\n", pos, childptr - treepos); } else { pp->pp_VerifyArray[(childptr-treepos) >> 3] |= (1UL << ((childptr-treepos) & 7)); } } newhash = GetSeqHash(pg, childptr - treepos, treepos, 0); if(newhash != hash) { STRPTR tmpstr = (STRPTR) malloc(treepos+1); DecompressSequencePartTo(pg, seqptr, sfxnode->sn_StartPos + sfxnode->sn_EdgeLen - treepos, treepos, tmpstr); printf("Hash mismatch for %s (%ld != %ld), treepos = %ld\n", tmpstr, newhash, hash, treepos); free(tmpstr); } else { //printf("Good"); } } else { /* this is a normal node pointer, recurse */ GetTreeStatsVerifyRec(pp, (childptr & RELOFFSETMASK) << 2, treepos, hash); } } } /* \\\ */ /* /// "GetTreeStatsLeafCountRec()" */ ULONG GetTreeStatsLeafCountRec(struct PTPanPartition *pp, ULONG pos) { struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; ULONG cnt = 0; /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; //printf("P=%08lx LC: %ld [%d]\n", pos, childidx, sfxnode->sn_AlphaMask); while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer and doesn't contain a seqcode */ cnt++; } else { /* this is a normal node pointer, recurse */ cnt += GetTreeStatsLeafCountRec(pp, (childptr & RELOFFSETMASK) << 2); } } return(cnt); } /* \\\ */ /* /// "GetTreeStatsLeafCollectRec()" */ void GetTreeStatsLeafCollectRec(struct PTPanPartition *pp, ULONG pos) { struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer and doesn't contain a seqcode */ *pp->pp_LeafBufferPtr++ = childptr & ~LEAFMASK; } else { /* this is a normal node pointer, recurse */ GetTreeStatsLeafCollectRec(pp, (childptr & RELOFFSETMASK) << 2); } } } /* \\\ */ /* /// "LongEdgeLengthCompare()" */ LONG LongEdgeLengthCompare(const struct SfxNode **node1, const struct SfxNode **node2) { return(((LONG) (*node2)->sn_EdgeLen) - ((LONG) (*node1)->sn_EdgeLen)); } /* \\\ */ /* /// "LongEdgePosCompare()" */ LONG LongEdgePosCompare(const struct SfxNode **node1, const struct SfxNode **node2) { return(((LONG) (*node1)->sn_StartPos) - ((LONG) (*node2)->sn_StartPos)); } /* \\\ */ /* /// "LongEdgeLabelCompare()" */ LONG LongEdgeLabelCompare(struct SfxNode **node1, struct SfxNode **node2) { struct PTPanGlobal *pg = PTPanGlobalPtr; ULONG *seqptr = pg->pg_MergedRawData; ULONG spos1 = (*node1)->sn_StartPos; ULONG spos2 = (*node2)->sn_StartPos; ULONG len = (*node1)->sn_EdgeLen; UBYTE seqcode1, seqcode2; if(spos1 == spos2) /* no need to compare */ { if(len < (*node2)->sn_EdgeLen) { return(-1); } else if(len > (*node2)->sn_EdgeLen) { return(1); } return(0); /* string exactly equal */ } if((*node2)->sn_EdgeLen < len) { len = (*node2)->sn_EdgeLen; } /* compare sequences */ do { seqcode1 = GetSeqCodeQuick(spos1); seqcode2 = GetSeqCodeQuick(spos2); if(seqcode1 < seqcode2) { return(-1); } else if(seqcode1 > seqcode2) { return(1); } spos1++; spos2++; } while(--len); /* sequence prefixes were the same! */ if((*node1)->sn_EdgeLen >= (*node2)->sn_EdgeLen) { /* move starting pos "down" */ if((*node1)->sn_StartPos < (*node2)->sn_StartPos) { //printf("Moved %ld -> %ld\n", (*node2)->sn_StartPos, (*node1)->sn_StartPos); (*node2)->sn_StartPos = (*node1)->sn_StartPos; } if((*node1)->sn_EdgeLen == (*node2)->sn_EdgeLen) { return(0); } else { return(1); } } else { /* shorter sequence is "smaller" */ return(-1); } } /* \\\ */ /* /// "GetSeqHash()" */ ULONG GetSeqHash(struct PTPanGlobal *pg, ULONG seqpos, ULONG len, ULONG hash) { ULONG *seqptr = &pg->pg_MergedRawData[seqpos / MAXCODEFITLONG]; ULONG modval = MAXCODEFITLONG - (seqpos % MAXCODEFITLONG); ULONG pval = *seqptr++ >> pg->pg_BitsShiftTable[MAXCODEFITLONG]; /* calculate the hash value over the string */ while(len--) { hash *= pg->pg_AlphaSize; if(--modval) { hash += (pval / pg->pg_PowerTable[modval]) % pg->pg_AlphaSize; } else { hash += pval % pg->pg_AlphaSize; pval = *seqptr++ >> pg->pg_BitsShiftTable[MAXCODEFITLONG]; modval = MAXCODEFITLONG; } hash %= HASHPRIME; } return(hash); } /* \\\ */ /* /// "GetSeqHashBackwards()" */ ULONG GetSeqHashBackwards(struct PTPanGlobal *pg, ULONG seqpos, ULONG len, ULONG hash) { seqpos += len; { ULONG *seqptr = &pg->pg_MergedRawData[seqpos / MAXCODEFITLONG]; ULONG modval = MAXCODEFITLONG - (seqpos % MAXCODEFITLONG); ULONG pval = *seqptr >> pg->pg_BitsShiftTable[MAXCODEFITLONG]; /* calculate the hash value over the string */ while(len--) { hash *= pg->pg_AlphaSize; if(modval < MAXCODEFITLONG) { hash += (pval / pg->pg_PowerTable[modval++]) % pg->pg_AlphaSize; } else { modval = 1; pval = *(--seqptr) >> pg->pg_BitsShiftTable[MAXCODEFITLONG]; hash += pval % pg->pg_AlphaSize; } hash %= HASHPRIME; } } return(hash); } /* \\\ */ /* /// "CheckLongEdgeMatch()" */ BOOL CheckLongEdgeMatch(struct PTPanPartition *pp, ULONG seqpos, ULONG edgelen, ULONG dictpos) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; STRPTR dictptr = &pp->pp_LongDict[dictpos]; ULONG *seqptr = &pg->pg_MergedRawData[seqpos / MAXCODEFITLONG]; ULONG modval = MAXCODEFITLONG - (seqpos % MAXCODEFITLONG); ULONG pval = *seqptr++ >> pg->pg_BitsShiftTable[MAXCODEFITLONG]; while(edgelen--) { if(--modval) { if(pg->pg_DecompressTable[(pval / pg->pg_PowerTable[modval]) % pg->pg_AlphaSize] != *dictptr++) { return(FALSE); } } else { if(pg->pg_DecompressTable[pval % pg->pg_AlphaSize] != *dictptr++) { return(FALSE); } pval = *seqptr++ >> pg->pg_BitsShiftTable[MAXCODEFITLONG]; modval = MAXCODEFITLONG; } } return(TRUE); } /* \\\ */ /* /// "BuildLongEdgeDictionary()" */ BOOL BuildLongEdgeDictionary(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG *seqptr = pg->pg_MergedRawData; ULONG cnt; ULONG apos; ULONG spos; STRPTR dictptr; ULONG edgelen; ULONG dictsize; ULONG hashval; struct HashEntry *hash; ULONG walkinghash; ULONG lastedgelen; ULONG subfact; BOOL notfound; ULONG hashhit, hashmiss, walkmiss, walkhit, stringcnt; BOOL hassweep; BOOL quicksweep; BOOL safeskip; ULONG olddictsize; BenchTimePassed(pg); /* allocate long edge array */ pp->pp_LongEdges = (struct SfxNode **) calloc(pp->pp_EdgeCount, sizeof(struct SfxNode *)); if(!pp->pp_LongEdges) { printf("Out of memory for Long Edges Array!\n"); return(FALSE); } pp->pp_LongEdgeCount = 0; GetTreeStatsLongEdgesRec(pp, 0, 0, 0); printf("Long Edge Array filled with %ld entries ", pp->pp_LongEdgeCount); printf("(%ld KB unused)\n", (pp->pp_Sfx2EdgeOffset - pp->pp_SfxNEdgeOffset) >> 10); #if 0 /* debug */ for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { printf("%ld: %ld\n", cnt, pp->pp_LongEdges[cnt]->sn_EdgeLen); } #endif /* now sort array */ if(pp->pp_LongEdgeCount > 2) { #if 1 /* disable this, if sorting takes too long, but this causes the dictionary to explode */ #if 0 // debug printf("Before sorting:\n"); for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { DecompressSequencePartTo(pg, seqptr, pp->pp_LongEdges[cnt]->sn_StartPos, pp->pp_LongEdges[cnt]->sn_EdgeLen, pg->pg_TempBuffer); printf("%6ld: %7ld: %s\n", cnt, pp->pp_LongEdges[cnt]->sn_StartPos, pg->pg_TempBuffer); } #endif printf("Sorting (Pass 1)...\n"); qsort(pp->pp_LongEdges, pp->pp_LongEdgeCount, sizeof(struct SfxNode *), (int (*)(const void *, const void *)) LongEdgeLabelCompare); /* some edges might now have been moved to the front after sorting, but due to the sorting, these will be alternating, with edges of the same length, so fix these in O(n) */ #if 0 // debug printf("Before prefix clustering:\n"); for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { DecompressSequencePartTo(pg, seqptr, pp->pp_LongEdges[cnt]->sn_StartPos, pp->pp_LongEdges[cnt]->sn_EdgeLen, pg->pg_TempBuffer); printf("%6ld: %7ld: %s\n", cnt, pp->pp_LongEdges[cnt]->sn_StartPos, pg->pg_TempBuffer); } #endif for(cnt = pp->pp_LongEdgeCount-1; cnt > 0; cnt--) { ULONG spos1 = pp->pp_LongEdges[cnt-1]->sn_StartPos; ULONG spos2 = pp->pp_LongEdges[cnt]->sn_StartPos; ULONG len = pp->pp_LongEdges[cnt-1]->sn_EdgeLen; if(len <= pp->pp_LongEdges[cnt]->sn_EdgeLen && (spos1 != spos2)) { /* compare sequences */ do { if(GetSeqCodeQuick(spos1) != GetSeqCodeQuick(spos2)) { break; } spos1++; spos2++; } while(--len); if(!len) { /* was equal */ pp->pp_LongEdges[cnt-1]->sn_StartPos = pp->pp_LongEdges[cnt]->sn_StartPos; } } } #if 0 // debug printf("After prefix clustering:\n"); for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { DecompressSequencePartTo(pg, seqptr, pp->pp_LongEdges[cnt]->sn_StartPos, pp->pp_LongEdges[cnt]->sn_EdgeLen, pg->pg_TempBuffer); printf("%6ld: %7ld: %s\n", cnt, pp->pp_LongEdges[cnt]->sn_StartPos, pg->pg_TempBuffer); } #endif printf("Sorting (Pass 2)...\n"); qsort(pp->pp_LongEdges, pp->pp_LongEdgeCount, sizeof(struct SfxNode *), (int (*)(const void *, const void *)) LongEdgePosCompare); #if 0 // debug printf("After offset sorting\n"); for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { DecompressSequencePartTo(pg, seqptr, pp->pp_LongEdges[cnt]->sn_StartPos, pp->pp_LongEdges[cnt]->sn_EdgeLen, pg->pg_TempBuffer); printf("%6ld: %7ld: %s\n", cnt, pp->pp_LongEdges[cnt]->sn_StartPos, pg->pg_TempBuffer); } #endif { ULONG ivalstart = 0; ULONG ivalend = 0; ULONG ivalcnt = 0; ULONG ivalsum = 0; ULONG ivalextend = 0; ULONG oldcnt = pp->pp_LongEdgeCount; /* examine edges and create bigger intervals */ for(cnt = 0; cnt < oldcnt; cnt++) { if(pp->pp_LongEdges[cnt]->sn_StartPos > ivalend) { /* create new interval (these thresholds were found out using lots of testing) */ if((ivalextend > 5) && (ivalend - ivalstart > 14)) { //printf("Ival: %ld - %ld\n", ivalstart, ivalend); if((pp->pp_SfxNEdgeOffset < pp->pp_Sfx2EdgeOffset - sizeof(struct SfxNodeStub)) && (pp->pp_LongEdgeCount < pp->pp_EdgeCount)) { /* generate a small stub node, that will lead the array building */ pp->pp_Sfx2EdgeOffset -= sizeof(struct SfxNodeStub); /* only a stub! */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pp->pp_Sfx2EdgeOffset]; sfxnode->sn_StartPos = ivalstart; sfxnode->sn_EdgeLen = ivalend - ivalstart + 1; sfxnode->sn_AlphaMask = 0xCAFE; pp->pp_LongEdges[pp->pp_LongEdgeCount++] = sfxnode; ivalcnt++; ivalsum += sfxnode->sn_EdgeLen; } else { printf("Out of mem!\n"); cnt = oldcnt; } ivalextend = 0; } ivalstart = pp->pp_LongEdges[cnt]->sn_StartPos; ivalend = ivalstart + pp->pp_LongEdges[cnt]->sn_EdgeLen - 1; } else { /* check, if we have to enlarge this interval... (is this an attempt to compensate something? :) )*/ if((pp->pp_LongEdges[cnt]->sn_StartPos + pp->pp_LongEdges[cnt]->sn_EdgeLen - 1 > ivalend)) //(ivalstart + (pp->pp_LongEdges[cnt]->sn_EdgeLen * 2) > ivalend)) { ivalend = pp->pp_LongEdges[cnt]->sn_StartPos + pp->pp_LongEdges[cnt]->sn_EdgeLen - 1; if(pp->pp_LongEdges[cnt]->sn_StartPos > ivalstart) { ivalextend++; } } } } printf("Additional intervals generated %ld (%ld KB)\n", ivalcnt, ivalsum >> 10); } #endif printf("Sorting (Pass 3)...\n"); qsort(pp->pp_LongEdges, pp->pp_LongEdgeCount, sizeof(struct SfxNode *), (int (*)(const void *, const void *)) LongEdgeLengthCompare); #if 0 // debug printf("After length sorting\n"); for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { DecompressSequencePartTo(pg, seqptr, pp->pp_LongEdges[cnt]->sn_StartPos, pp->pp_LongEdges[cnt]->sn_EdgeLen, pg->pg_TempBuffer); printf("%6ld: %7ld: %s\n", cnt, pp->pp_LongEdges[cnt]->sn_StartPos, pg->pg_TempBuffer); } #endif } pg->pg_Bench.ts_LongDictPre += BenchTimePassed(pg); if(!pp->pp_LongEdgeCount) { /* catch special case of no long edges */ pp->pp_LongEdgeLenSize = 1; pp->pp_LongEdgeLenCode = (struct HuffCode *) calloc(pp->pp_LongEdgeLenSize, sizeof(struct HuffCode)); //pp->pp_LongEdgeLenCode[0].hc_CodeLength = 1; pp->pp_LongDictSize = 1; pp->pp_LongDict = (STRPTR) malloc(pp->pp_LongDictSize); *pp->pp_LongDict = 0; dictsize = 0; } else { pp->pp_LongEdgeLenSize = pp->pp_LongEdges[0]->sn_EdgeLen + 1; /* allocate long edge len histogram */ pp->pp_LongEdgeLenCode = (struct HuffCode *) calloc(pp->pp_LongEdgeLenSize, sizeof(struct HuffCode)); if(!pp->pp_LongEdgeLenCode) { printf("Out of memory for Long Edge Length Histogram!\n"); return(FALSE); } /* count lengths */ for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { if(pp->pp_LongEdges[cnt]->sn_AlphaMask != 0xCAFE) { pp->pp_LongEdgeLenCode[pp->pp_LongEdges[cnt]->sn_EdgeLen].hc_Weight++; } } printf("Longest edge: %ld\n", pp->pp_LongEdgeLenSize - 1); /* generate huffman code for edge lengths */ printf("Generating huffman code for long edges length\n"); BuildHuffmanCode(pp->pp_LongEdgeLenCode, pp->pp_LongEdgeLenSize, 0); #if 0 /* debug */ for(cnt = 0; cnt < pp->pp_LongEdgeLenSize; cnt++) { WORD bitcnt; if(pp->pp_LongEdgeLenCode[cnt].hc_CodeLength) { printf("%6ld: %7ld -> %2d ", cnt, pp->pp_LongEdgeLenCode[cnt].hc_Weight, pp->pp_LongEdgeLenCode[cnt].hc_CodeLength); for(bitcnt = pp->pp_LongEdgeLenCode[cnt].hc_CodeLength - 1; bitcnt >= 0; bitcnt--) { printf("%s", pp->pp_LongEdgeLenCode[cnt].hc_Codec & (1UL << bitcnt) ? "1" : "0"); } printf("\n"); } } #endif /* now allocate a buffer for building the dictionary */ pp->pp_LongDictSize = 16UL << 10; /* start with 16KB */ pp->pp_LongDict = (STRPTR) malloc(pp->pp_LongDictSize); if(!pp->pp_LongDict) { printf("Out of memory for long edges dictionary!\n"); free(pp->pp_LongEdges); return(FALSE); } pp->pp_LongDict[0] = 0; dictsize = 0; /* allocate the hash table to speed up search */ pp->pp_LongDictHashSize = 256UL << 10; pp->pp_LongDictHash = AllocHashArray(pp->pp_LongDictHashSize); if(!pp->pp_LongDictHash) { printf("Out of memory for long edges dictionary hash!\n"); free(pp->pp_LongEdges); free(pp->pp_LongDict); return(FALSE); } printf("Allocated a hash for %ld entries...\n", pp->pp_LongDictHashSize); /* some statistical data */ hashhit = 0; /* string found in hash */ hashmiss = 0; /* string found in hash, but was no match */ walkmiss = 0; /* wrong fingerprint matches */ walkhit = 0; /* string found during walk */ stringcnt = 1; /* number of strings generated */ /* create special initial string to avoid dictionary exploding by fragmented truncated edges */ sfxnode = pp->pp_LongEdges[0]; spos = sfxnode->sn_StartPos + 1; edgelen = sfxnode->sn_EdgeLen - 1; dictptr = pp->pp_LongDict; dictsize = edgelen; while(edgelen--) { *dictptr++ = pg->pg_DecompressTable[GetSeqCodeQuick(spos)]; spos++; } /* don't forget the termination char */ *dictptr = 0; /* insert all edges */ lastedgelen = pp->pp_LongEdges[0]->sn_EdgeLen; hassweep = FALSE; olddictsize = 0; for(cnt = 0; cnt < pp->pp_LongEdgeCount; cnt++) { #if 0 /* debug */ if((dictsize > olddictsize + 40) || (cnt == pp->pp_LongEdgeCount-1)) { fprintf(stderr, "%ld %ld\n", cnt, dictsize); olddictsize = dictsize; } #endif if(((cnt+1) & 0x3ff) == 0) { if(((cnt+1) >> 10) % 50) { printf("."); fflush(stdout); } else { printf(". %2ld%% (%ld KB, %ld strings)\n", (cnt * 100) / pp->pp_LongEdgeCount, dictsize >> 10, stringcnt); } } sfxnode = pp->pp_LongEdges[cnt]; /* note that we can skip the first base because it is part of the branch */ spos = sfxnode->sn_StartPos + 1; edgelen = sfxnode->sn_EdgeLen - 1; /*if(edgelen != lastedgelen) { printf("%6ld\n", edgelen); }*/ /* if we have swept over the dictionary, it is safe to skip search */ safeskip = hassweep; /* calculate hash value */ hashval = GetSeqHashBackwards(pg, spos, edgelen, 0); //printf("[%ld] Len %ld, Hashval = %ld, dictsize = %ld ", cnt, edgelen, hashval, dictsize); if((hash = GetHashEntry(pp->pp_LongDictHash, hashval))) { //printf("Hash "); /* we will check only atmost 12 characters. the probability, that the edge had the same hash value and more than 12 matching characters, is unbelievably low */ if(CheckLongEdgeMatch(pp, spos, edgelen > 12 ? 12 : edgelen, hash->he_Data)) { hashhit++; //printf("match\n"); sfxnode->sn_StartPos = hash->he_Data | (1UL << 31); continue; } hashmiss++; //printf("miss\n"); /* we had a hash miss, consider it not safe anymore to skip the search */ safeskip = FALSE; } if(edgelen < lastedgelen) { if(pp->pp_LongDictHash->ha_Used > (pp->pp_LongDictHash->ha_Size >> 3)) { /* seems as if the hash full by more than 1/8 and needs some clearing */ //printf("Clearing hash...\n"); ClearHashArray(pp->pp_LongDictHash); } hassweep = FALSE; safeskip = FALSE; } /* sorry, have to do a linear search */ notfound = TRUE; /* if he have swept over the dictionary, generating all possible hash values and did not hit the hash, it is very impossible that we will find it anyway, so we just append it. */ if(!safeskip) { /* first attempt was to walk through the dictionary from the beginning to the end. However, in some bright moment, I thought about traversing the dictionary the other way round and see if this works better */ /* hash = \sum{i < m}{dict[pos+i]*5^(m-i)} to walk right: hash = oldhash * 5 + dict[pos] - dict[pos-m] * (5^(m+1)) to walk left: hash = oldhash - dict[pos] / 5 + dict[pos] * (5^m) */ /* init walking hash/finger print value */ apos = dictsize; dictptr = &pp->pp_LongDict[apos]; subfact = 1; walkinghash = 0; //printf("edgelen = %ld\n", edgelen); do { /* calculate character outshifting multiplicator */ subfact *= pg->pg_AlphaSize; subfact %= HASHPRIME; /* calculate finger print */ walkinghash *= pg->pg_AlphaSize; walkinghash += pg->pg_CompressTable[*(--dictptr)]; walkinghash %= HASHPRIME; } while(--apos > dictsize - edgelen); /* did the length shrink and does it pay to do a sweep? */ if((edgelen < lastedgelen) && (cnt + 40 < pp->pp_LongEdgeCount) && (edgelen == (ULONG) pp->pp_LongEdges[cnt + 40]->sn_EdgeLen - 1)) { //printf("Q[%ld<-%ld]", edgelen, pp->pp_LongEdges[cnt + 15]->sn_EdgeLen - 1); //printf("Quicksweep\n"); quicksweep = TRUE; hassweep = TRUE; } else { quicksweep = FALSE; } //hassweep = quicksweep = FALSE; /* FIXME */ /* loop until found or end of dictionary is reached */ do { //printf("Apos = %ld, WH = %ld\n", apos, walkinghash); /* finger print value matches */ if(quicksweep) { if(!(GetHashEntry(pp->pp_LongDictHash, walkinghash))) { InsertHashEntry(pp->pp_LongDictHash, walkinghash, apos); } } if(walkinghash == hashval) { //printf("Walk "); /* verify hit (well, to a high probability) */ if(CheckLongEdgeMatch(pp, spos, edgelen > 12 ? 12 : edgelen, apos)) { //printf("hit\n"); #if 0 /* debug */ if(safeskip) { printf("We would have missed %ld [%ld != %08lx], %ld!\n", apos, hashval, (ULONG) GetHashEntry(pp->pp_LongDictHash, walkinghash), edgelen); } #endif /* found it! */ walkhit++; sfxnode->sn_StartPos = apos | (1UL << 31); //printf("Walk: %f\n", (double) ((double) apos / (double) dictsize)); notfound = FALSE; /* we have to finish the scan in quicksweep mode */ if(quicksweep) { hashval = ~0UL; /* make sure we won't find another hit */ } else { /* insert hash entry */ InsertHashEntry(pp->pp_LongDictHash, hashval, apos); break; } } else { walkmiss++; //printf("miss\n"); } } if(apos) { /* calculate new hash value */ walkinghash += HASHPRIME; walkinghash *= pg->pg_AlphaSize; walkinghash -= pg->pg_CompressTable[dictptr[edgelen-1]] * subfact; walkinghash += pg->pg_CompressTable[*(--dictptr)]; walkinghash %= HASHPRIME; apos--; } else { break; } } while(TRUE); } lastedgelen = edgelen; /* check, if we already found it */ if(notfound) { stringcnt++; apos = dictsize; dictsize += edgelen; //printf("add"); //printf("Appending %ld at %ld...\n", edgelen, apos); if(dictsize >= pp->pp_LongDictSize) { STRPTR newptr; /* double the size of the buffer */ pp->pp_LongDictSize <<= 1; if((newptr = (STRPTR) realloc(pp->pp_LongDict, pp->pp_LongDictSize))) { pp->pp_LongDict = newptr; //printf("Expanded Dictionary to %ld bytes.\n", pp->pp_LongDictSize); } else { printf("Out of memory while expanding long edges dictionary!\n"); free(pp->pp_LongDict); free(pp->pp_LongEdges); return(FALSE); } } /* insert hash entry */ InsertHashEntry(pp->pp_LongDictHash, hashval, apos); /* fix start pos */ sfxnode->sn_StartPos = apos | (1UL << 31); dictptr = &pp->pp_LongDict[apos]; while(edgelen--) { *dictptr++ = pg->pg_DecompressTable[GetSeqCodeQuick(spos)]; spos++; } /* don't forget the termination char */ *dictptr = 0; } } pp->pp_LongDictSize = dictsize; /* printf("\nHashhit %ld, Hashmiss %ld, Walkhit %ld, Walkmiss %ld\n", hashhit, hashmiss, walkhit, walkmiss);*/ printf("\nDictionary size: %ld KB (%ld strings)\n", dictsize >> 10, stringcnt); //printf(pp->pp_LongDict); } /* calculate bits usage */ pp->pp_LongRelPtrBits = 1; while((1UL << pp->pp_LongRelPtrBits) < dictsize) { pp->pp_LongRelPtrBits++; } /* compress sequence to save memory */ if(!(pp->pp_LongDictRaw = CompressSequence(pg, pp->pp_LongDict))) { printf("Out of memory for compressed dictionary string!\n"); FreeHashArray(pp->pp_LongDictHash); free(pp->pp_LongEdges); free(pp->pp_LongDict); return(FALSE); } printf("Final compressed dictionary size: %ld bytes.\n", ((dictsize / MAXCODEFITLONG) + 1) * sizeof(ULONG)); /* free some memory */ FreeHashArray(pp->pp_LongDictHash); free(pp->pp_LongEdges); free(pp->pp_LongDict); pg->pg_Bench.ts_LongDictBuild += BenchTimePassed(pg); return(TRUE); } /* \\\ */ /* /// "WriteTreeToDisk()" */ BOOL WriteTreeToDisk(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG pos; ULONG childptr; ULONG packsize; ULONG bytessaved; BOOL freedisk = FALSE; BenchTimePassed(pg); /* after we have prepared all the codecs and compression tables, we have to modify the tree to be able to store it on the disk. Bottom up approach. a) count the space required for the cut off leaves. They are stored as compressed arrays, each array holding at least two leaves. The leaves in the upper levels of the tree are not saved there, as a pointer to the leaf array containing only one leaf would be a waste of space (instead they are stored directly as a child ptr). b) traverse the tree in DFS order from lowest level to the root, from right to the left, enter relative pointers in the ChildPtr[] array, count the space consumption. */ /* calculate the relative pointers and the tree traversal */ pp->pp_DiskOuterLeaves = 0; pp->pp_DiskTreeSize = 0; pp->pp_TraverseTreeRoot = ~0UL & RELOFFSETMASK; ULONG tempDiskTreeSize = FixRelativePointersRec(pp, 0, 0, 0); pp->pp_DiskTreeSize += tempDiskTreeSize; //printf("Total size on disk: %ld KB\n", pp->pp_DiskTreeSize >> 10); pg->pg_Bench.ts_Reloc += BenchTimePassed(pg); /* now finally write it to disk */ pp->pp_PartitionFile = fopen(pp->pp_PartitionName, "w"); if(!pp->pp_PartitionFile) { printf("ERROR: Couldn't open partition file %s for writing!\n", pp->pp_PartitionName); return(FALSE); } WriteTreeHeader(pp); /* use unused node buffer for temporary write buffer */ pp->pp_DiskBuffer = (UBYTE *) &pp->pp_SfxNodes[pp->pp_SfxNEdgeOffset]; pp->pp_DiskBufferSize = pp->pp_Sfx2EdgeOffset - pp->pp_SfxNEdgeOffset; if(pp->pp_DiskBufferSize < (128UL << 10)) { /* disk buffer was much too small! */ pp->pp_DiskBufferSize = 128UL << 10; pp->pp_DiskBuffer = (UBYTE *) calloc(1, pp->pp_DiskBufferSize); freedisk = TRUE; } else { if(pp->pp_DiskBufferSize > (512UL << 10)) { pp->pp_DiskBufferSize = 512UL << 10; } } //printf("Diskbuffer: %ld KB\n", pp->pp_DiskBufferSize >> 10); pp->pp_DiskPos = 0; bytessaved = 0; #if 0 /* debug */ pp->pp_BranchTree = BuildHuffmanTreeFromTable(pp->pp_BranchCode, 1UL << pg->pg_AlphaSize); pp->pp_ShortEdgeTree = BuildHuffmanTreeFromTable(pp->pp_ShortEdgeCode, 1UL << (pg->pg_BitsUseTable[SHORTEDGEMAX]+1)); pp->pp_LongEdgeLenTree = BuildHuffmanTreeFromTable(pp->pp_LongEdgeLenCode, pp->pp_LongEdgeLenSize); #endif printf("Writing (%ld KB)",pp->pp_DiskTreeSize >> 10); fflush(NULL); pp->pp_DiskNodeCount = 0; pp->pp_DiskNodeSpace = 0; pp->pp_DiskLeafCount = 0; pp->pp_DiskLeafSpace = 0; pos = pp->pp_TraverseTreeRoot; while((pos & RELOFFSETMASK) != (~0UL & RELOFFSETMASK)) { childptr = (pos & RELOFFSETMASK) << 2; //printf("Pos=%08lx [%ld]\n", childptr, bytessaved); sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[childptr]; packsize = 0; if(sfxnode->sn_AlphaMask) /* is this a normal node or the end of the tree */ { packsize = WritePackedNode(pp, childptr, &pp->pp_DiskBuffer[pp->pp_DiskPos]); pp->pp_DiskNodeCount++; pp->pp_DiskNodeSpace += packsize; #if 0 /* debug */ { struct TreeNode *tn; pp->pp_DiskTree = &pp->pp_DiskBuffer[pp->pp_DiskPos]; tn = ReadPackedNode(pp, 0); if(tn) { if(packsize != tn->tn_Size) { ULONG bc; printf("ARGH! ARGH! ARRRRGH! NodePos %08lx [%ld != %ld]\n", pos, packsize, tn->tn_Size); for(bc = 0; bc < 32; bc++) { printf("[%02x] ", pp->pp_DiskTree[bc]); } printf("\n"); } free(tn); } } #endif } else { packsize = WritePackedLeaf(pp, childptr, &pp->pp_DiskBuffer[pp->pp_DiskPos]); pp->pp_DiskLeafCount++; pp->pp_DiskLeafSpace += packsize; #if 0 /* debug */ { struct TreeNode *tn; BOOL argh; ULONG bcnt; pp->pp_DiskTree = &pp->pp_DiskBuffer[pp->pp_DiskPos]; tn = ReadPackedLeaf(pp, 0); if(tn) { argh = (packsize != tn->tn_Size); for(bcnt = 0; bcnt < tn->tn_NumLeaves; bcnt++) { if(tn->tn_Leaves[bcnt] < 0) { argh = TRUE; } } if(argh) { ULONG bc; printf("ARGH! ARGH! ARRRRGH! LeafPos %08lx [%ld != %ld]\n", pos, packsize, tn->tn_Size); for(bc = 0; bc < 32; bc++) { printf("[%02x] ", pp->pp_DiskTree[bc]); } printf("\n"); } free(tn); } } #endif } pp->pp_DiskPos += packsize; bytessaved += packsize; /* check if disk buffer is full enough to write a new chunk */ if(pp->pp_DiskPos > (pp->pp_DiskBufferSize >> 1)) { printf("."); fflush(NULL); fwrite(pp->pp_DiskBuffer, pp->pp_DiskPos, 1, pp->pp_PartitionFile); pp->pp_DiskPos = 0; } pos = sfxnode->sn_Parent; } // end while if(pp->pp_DiskPos) { printf(".\n"); fwrite(pp->pp_DiskBuffer, pp->pp_DiskPos, 1, pp->pp_PartitionFile); } pp->pp_DiskIdxSpace = ftell(pp->pp_PartitionFile); printf("%ld inner nodes (%ld KB, %f b.p.n.)\n" "%ld leaf nodes (%ld KB, %f b.p.n.)\n" "%ld leaves in array (%ld KB, %f b.p.l.)\n" "Overall %f bytes per base.\n", pp->pp_DiskNodeCount, pp->pp_DiskNodeSpace >> 10, (float) pp->pp_DiskNodeSpace / (float) pp->pp_DiskNodeCount, pp->pp_DiskLeafCount, pp->pp_DiskLeafSpace >> 10, (float) pp->pp_DiskLeafSpace / (float) pp->pp_DiskLeafCount, pp->pp_DiskOuterLeaves, pp->pp_DiskLeafSpace >> 10, (float) pp->pp_DiskLeafSpace / (float) pp->pp_DiskOuterLeaves, (float) pp->pp_DiskIdxSpace / (float) pp->pp_Size); fclose(pp->pp_PartitionFile); if(freedisk) { free(pp->pp_DiskBuffer); } pg->pg_Bench.ts_Writing += BenchTimePassed(pg); if(bytessaved != pp->pp_DiskTreeSize) { printf("ERROR: Calculated tree size did not match written data (%ld != %ld)!\n", bytessaved, pp->pp_DiskTreeSize); return(FALSE); } return(TRUE); } /* \\\ */ /* /// "CreatePartitionLookup()" */ BOOL CreatePartitionLookup(struct PTPanGlobal *pg) { ULONG cnt; ULONG len; struct PTPanPartition *pp; UWORD range; /* allocate memory for table */ len = pg->pg_PowerTable[pg->pg_MaxPrefixLen]; pg->pg_PartitionLookup = (struct PTPanPartition **) calloc(len, sizeof(struct PTPanPartition *)); if(!pg->pg_PartitionLookup) { return(FALSE); /* out of memory */ } /* create lookup table */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; for(cnt = 0; cnt < len; cnt++) { if(!pp->pp_Node.ln_Succ) { break; /* end of partition list reached */ } do { range = pg->pg_PowerTable[pg->pg_MaxPrefixLen - pp->pp_PrefixLen]; if((cnt >= pp->pp_Prefix * range) && (cnt < (pp->pp_Prefix+1) * range)) { //printf("Entry %ld = prefix %ld\n", cnt, pp->pp_Prefix); pg->pg_PartitionLookup[cnt] = pp; break; } else { if(cnt >= (pp->pp_Prefix+1) * range) { /* we're past this partition prefix, get next one */ pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; if(!pp->pp_Node.ln_Succ) { break; /* end of partition list reached */ } } else { break; /* not yet found */ } } } while(TRUE); } return(TRUE); } /* \\\ */ ./arbsrc_9167/ptpan/PTP_etc.cxx0000644012664100000130000000467311213220012016275 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" #include /* *** FIXME *** do we need this function? */ /* called by: PROBE/PT_match.cxx: pt_export_error(locs,"error: probe too short!!\n"); PROBE/PT_new_design.cxx: pt_export_error(locs,"No Species selected"); */ /* /// "SetARBErrorMsg()" */ void SetARBErrorMsg(PT_local *locs, const STRPTR error) { if(locs->ls_error) { free(locs->ls_error); } locs->ls_error = strdup(error); } /* \\\ */ /* get the name with a virtual function */ /* /// "virt_name()" */ extern "C" STRPTR virt_name(PT_probematch *ml) { struct PTPanGlobal *pg = PTPanGlobalPtr; return(pg->pg_SpeciesMap[ml->name]->ps_Name); } /* \\\ */ /* /// "virt_fullname()" */ extern "C" STRPTR virt_fullname(PT_probematch *ml) { struct PTPanGlobal *pg = PTPanGlobalPtr; return(pg->pg_SpeciesMap[ml->name]->ps_FullName); } /* \\\ */ /* called by: AISC */ extern "C" bytestring *PT_unknown_names(struct_PT_pdc *pdc) { struct PTPanGlobal *pg = PTPanGlobalPtr; STRPTR specnames; STRPTR namestart; UBYTE namechr; ULONG allocsize = 2; ULONG pos = 0; STRPTR tarptr; printf("EXTERN: PT_unknown_names\n"); /* free old string and allocate minimum buffer */ freeset(pg->pg_UnknownSpecies.data, (STRPTR) malloc(allocsize)); *pg->pg_UnknownSpecies.data = 0; namestart = specnames = pdc->names.data; do { namechr = *specnames; /* if we encounter a hash or a nullbyte, we're at the end of a species string */ if((namechr == '#') || (!namechr)) { if(namestart < specnames) /* don't try to find an empty string */ { /* temporarily terminate the string */ *specnames = 0; if(!GBS_read_hash(pg->pg_SpeciesNameHash, namestart)) { allocsize += (specnames - namestart) + 1; pg->pg_UnknownSpecies.data = (STRPTR) realloc(pg->pg_UnknownSpecies.data, allocsize); tarptr = &pg->pg_UnknownSpecies.data[pos]; if(pos) { *tarptr++ = '#'; } /* copy name */ while((*tarptr++ = *namestart++)) { pos++; } } /* restore character */ *specnames++ = namechr; namestart = specnames; } else { namestart = ++specnames; } } else { specnames++; } } while(namechr); pg->pg_UnknownSpecies.size = pos + 1; return(&pg->pg_UnknownSpecies); } ./arbsrc_9167/ptpan/PTP_family.cxx0000644012664100000130000000111311213220012016765 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" #include extern "C" int ff_find_family(PT_local *locs, bytestring *species) { printf("ff_find_family is not implemented in PTPan\n"); arb_assert(false); return 0; } extern "C" int find_family(PT_local *locs, bytestring *species) { //int probe_len = locs->pr_len; //int mismatch_nr = locs->mis_nr; printf("EXTERN: find_family\n"); return 0; } ./arbsrc_9167/ptpan/PTP_findEx.cxx0000644012664100000130000000732711440743000016747 0ustar arb_buildcoders#include #include #include // #include #include #include #include "ptpan.h" //#include "probe_tree.hxx" #include "pt_prototypes.h" // ------------------------------------------------------ // extern "C" int PT_find_exProb(PT_exProb *pep) // ------------------------------------------------------ /* called by AISC */ /* /// "PT_find_exProb()" */ extern "C" int PT_find_exProb(PT_exProb *pep) { struct PTPanGlobal *pg = PTPanGlobalPtr; struct PTPanPartition *pp; struct TreeNode *tn; struct TreeNode *parenttn; BOOL done; BOOL first; ULONG cnt; UWORD seqcode; STRPTR outptr; ULONG len; printf("EXTERN: PT_find_exProb\n"); /* free old result */ freeset(pep->result, NULL); /* do we need to start from scratch? */ if(pep->restart) { /* reset everything */ if((tn = (struct TreeNode *) pep->next_probe.data)) { /* free old tree nodes */ do { parenttn = tn->tn_Parent; free(tn); } while((tn = parenttn)); } /* get first partition */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; if(!(pp->pp_CacheNode = CacheLoadData(pg->pg_PartitionCache, pp->pp_CacheNode, pp))) { printf("That's it, I'm outta here!\n"); return(-1); /* something went wrong while loading */ } /* get root node */ tn = ReadPackedNode(pp, 0); pep->restart = 0; } else { tn = (struct TreeNode *) pep->next_probe.data; } if(!tn) { pep->result = strdup(""); /* empty string */ return(0); } pp = tn->tn_PTPanPartition; outptr = (STRPTR) malloc(pep->numget * (pep->plength + 1) + 1); pep->result = outptr; /* collect all the strings that are on our way */ done = FALSE; first = TRUE; seqcode = 0; len = (pep->plength < pp->pp_TreePruneLength) ? pep->plength : pp->pp_TreePruneLength; for(cnt = 0; cnt < (ULONG) pep->numget; cnt++) { //printf("Cnt: %ld\n", cnt); /* go down! */ while(tn->tn_TreeOffset < len) { while(seqcode < pg->pg_AlphaSize) { //printf("Seqcode %d %ld\n", seqcode, tn->tn_Children[seqcode]); if(tn->tn_Children[seqcode]) { /* there is a child, go down */ tn = GoDownNodeChild(tn, seqcode); //printf("Down %d %08lx\n", seqcode, tn); seqcode = 0; break; } seqcode++; } while(seqcode == pg->pg_AlphaSize) /* we didn't find any children */ { /* go up again */ //printf("Up\n"); parenttn = tn->tn_Parent; seqcode = tn->tn_ParentSeq + 1; freeset(tn, parenttn); if(!tn) { /* we're done with this partition */ pep->next_probe.data = NULL; if(pp->pp_Node.ln_Succ->ln_Succ) { /* load next partition */ pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; if(!(pp->pp_CacheNode = CacheLoadData(pg->pg_PartitionCache, pp->pp_CacheNode, pp))) { printf("That's it, I'm outta here!\n"); return(-1); /* something went wrong while loading */ } /* get root node */ tn = ReadPackedNode(pp, 0); } else { done = TRUE; break; /* we're done! */ } } } if(done) { break; } } if(done) { break; } if(!first) { *outptr++ = ';'; } else { first = FALSE; } GetTreePath(tn, outptr, pep->plength); outptr += pep->plength; parenttn = tn->tn_Parent; seqcode = tn->tn_ParentSeq + 1; freeset(tn, parenttn); } *outptr = 0; pep->next_probe.data = (STRPTR) tn; return(0); } /* \\\ */ ./arbsrc_9167/ptpan/PTP_io.cxx0000644012664100000130000011444211440743000016136 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" #include #include #ifdef BENCHMARK /* /// "BenchTimePassed()" */ ULONG BenchTimePassed(struct PTPanGlobal *pg) { ULONG ms; gettimeofday(&pg->pg_Bench.ts_Now, NULL); ms = (pg->pg_Bench.ts_Now.tv_sec - pg->pg_Bench.ts_Last.tv_sec) * 1000; if(pg->pg_Bench.ts_Now.tv_usec < pg->pg_Bench.ts_Last.tv_usec) { ms -= 1000 - (pg->pg_Bench.ts_Last.tv_usec - pg->pg_Bench.ts_Now.tv_usec) / 1000; } else { ms += (pg->pg_Bench.ts_Now.tv_usec - pg->pg_Bench.ts_Last.tv_usec) / 1000; } pg->pg_Bench.ts_Last = pg->pg_Bench.ts_Now; return(ms); } /* \\\ */ /* /// "BenchOutput()" */ void BenchOutput(struct PTPanGlobal *pg) { struct PTPanPartition *pp; ULONG diskidxspace = 0; ULONG disknodecount = 0; ULONG disknodespace = 0; ULONG diskleafcount = 0; ULONG diskleafspace = 0; ULONG diskouterleaves = 0; ULONG memused; ULONG memusedmax = 0; pg->pg_Bench.ts_Last = pg->pg_Bench.ts_Init; pg->pg_Bench.ts_TotalBuild = BenchTimePassed(pg); printf("pDAT: (id np fsize tsize bufmem used 2e 5e depth pdepth plen edges ledges dictsize node# nodespc leaf# leafcnt outl)\n"); pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { diskidxspace += pp->pp_DiskIdxSpace; disknodecount += pp->pp_DiskNodeCount; disknodespace += pp->pp_DiskNodeSpace; diskleafcount += pp->pp_DiskLeafCount; diskleafspace += pp->pp_DiskLeafSpace; diskouterleaves += pp->pp_DiskOuterLeaves; memused = pp->pp_SfxMemorySize - (pp->pp_Sfx2EdgeOffset - pp->pp_SfxNEdgeOffset); if(memused > memusedmax) { memusedmax = memused; } printf("%ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %s PDAT\n", pp->pp_ID, pp->pp_Size, pp->pp_DiskIdxSpace, pp->pp_DiskTreeSize, pp->pp_SfxMemorySize, memused, pp->pp_NumSmallNodes, pp->pp_NumBigNodes, pp->pp_MaxTreeDepth, pp->pp_TreePruneDepth, pp->pp_TreePruneLength, pp->pp_EdgeCount, pp->pp_LongEdgeCount, pp->pp_LongDictRawSize, pp->pp_DiskNodeCount, pp->pp_DiskNodeSpace, pp->pp_DiskLeafCount, pp->pp_DiskLeafSpace, pp->pp_DiskOuterLeaves, pg->pg_DBName); pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } printf("gDAT: (n s lb np t idxsize memusedmax node# nodespc leaf# leafcnt outl Total CollDB MergeDB PScan MemTree Stats LDPre LDBuild Reloc Disk)\n" "%lld %ld %ld %d %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %s GDAT\n", pg->pg_TotalRawSize, pg->pg_NumSpecies, pg->pg_MaxBaseLength, pg->pg_NumPartitions, pg->pg_MaxPartitionSize, diskidxspace, memusedmax, disknodecount, disknodespace, diskleafcount, diskleafspace, diskouterleaves, pg->pg_Bench.ts_TotalBuild, pg->pg_Bench.ts_CollectDB, pg->pg_Bench.ts_MergeDB, pg->pg_Bench.ts_PrefixScan, pg->pg_Bench.ts_MemTree, pg->pg_Bench.ts_TreeStats, pg->pg_Bench.ts_LongDictPre, pg->pg_Bench.ts_LongDictBuild, pg->pg_Bench.ts_Reloc, pg->pg_Bench.ts_Writing, pg->pg_DBName); }; /* \\\ */ #endif /* /// "GetSequenceRelPos()" */ /* ULONG GetSequenceRelPos(struct PTPanGlobal *pg, STRPTR srcseq, ULONG abspos) { ULONG relpos = 0; // given an absolute sequence position, search for the relative one, // e.g. abspos 2 on "-----UU-C-C" will yield 8 while(*srcseq) { if(pg->pg_SeqCodeValidTable[*srcseq++]) { if(!(abspos--)) { break; // position found } } relpos++; } return(relpos); } */ /* \\\ */ /* /// "GetSequenceAbsPos()" */ /* ULONG GetSequenceAbsPos(struct PTPanGlobal *pg, STRPTR srcseq, ULONG relpos) { ULONG abspos = 0; // given an absolute sequence position, search for the relative one, // e.g. relpos 8 on "-----UU-C-C" will yield 3 while(*srcseq && relpos--) { if(pg->pg_SeqCodeValidTable[*srcseq++]) { abspos++; } } return(abspos); } */ /* \\\ */ /* /// "CalcLengthForFilteredSequence()" */ ULONG CalcLengthForFilteredSequence(struct PTPanGlobal *pg, STRPTR srcseq) { ULONG len = 0; /* calculate size of compressed sequence */ while(*srcseq) { len += pg->pg_SeqCodeValidTable[*srcseq++]; } return(len); } /* \\\ */ /* /// "FilterSequenceTo()" */ ULONG FilterSequenceTo(struct PTPanGlobal *pg, STRPTR srcstr, STRPTR filtptr) { ULONG len = 0; UBYTE code; /* now actually filter the sequence */ while((code = *srcstr++)) { if(pg->pg_SeqCodeValidTable[code]) { /* add sequence code */ *filtptr++ = pg->pg_DecompressTable[pg->pg_CompressTable[code]]; len++; } } *filtptr = 0; return(len); } /* \\\ */ /* /// "FilterSequence()" */ STRPTR FilterSequence(struct PTPanGlobal *pg, STRPTR srcseq) { ULONG len; STRPTR filtseq; len = CalcLengthForFilteredSequence(pg, srcseq); filtseq = (STRPTR) malloc(len + 1); if(!filtseq) { return(NULL); /* out of memory */ } /* now actually compress the sequence */ len = FilterSequenceTo(pg, srcseq, filtseq); //printf("%ld bytes used.\n", len); return(filtseq); } /* \\\ */ /* /// "CompressSequenceTo()" */ ULONG CompressSequenceTo(struct PTPanGlobal *pg, STRPTR srcseq, ULONG *seqptr) { ULONG len; ULONG seqcode; UWORD cnt; ULONG pval; UBYTE code; /* now actually compress the sequence */ len = 4; cnt = 0; pval = 0; while((code = *srcseq++)) { if(pg->pg_SeqCodeValidTable[code]) { /* add sequence code */ seqcode = pg->pg_CompressTable[code]; pval *= pg->pg_AlphaSize; pval += seqcode; /* check, if storage capacity was reached? */ if(++cnt == MAXCODEFITLONG) { /* write out compressed longword (with eof bit) */ //printf("[%08lx]", pval | pg->pg_BitsMaskTable[cnt]); *seqptr++ = (pval << pg->pg_BitsShiftTable[MAXCODEFITLONG]) | pg->pg_BitsMaskTable[MAXCODEFITLONG]; len += 4; cnt = 0; pval = 0; } } } /* write pending bits (with eof bit) */ *seqptr = (pval << pg->pg_BitsShiftTable[cnt]) | pg->pg_BitsMaskTable[cnt]; //printf("[%08lx]\n", *seqptr); return(len); } /* \\\ */ /* /// "CompressSequence()" */ ULONG * CompressSequence(struct PTPanGlobal *pg, STRPTR srcseq) { ULONG len; ULONG *compseq; len = CalcLengthForFilteredSequence(pg, srcseq); //printf("compressing %s (%ld/%ld)...", srcseq, len, (ULONG) strlen(srcseq)); /* that's all we need: ceil(len/MAXCODEFITLONG) longwords */ compseq = (ULONG *) malloc(((len / MAXCODEFITLONG) + 1) * sizeof(ULONG)); if(!compseq) { return(NULL); /* out of memory */ } /* now actually compress the sequence */ len = CompressSequenceTo(pg, srcseq, compseq); //printf("%ld bytes used.\n", len); return(compseq); } /* \\\ */ /* /// "GetLengthOfCompressedSequence() */ ULONG GetLengthOfCompressedSequence(struct PTPanGlobal *pg, ULONG *seqptr) { ULONG len = 0; UWORD cnt; ULONG mask = pg->pg_BitsMaskTable[MAXCODEFITLONG]; do { if(*seqptr++ & mask) /* check, if lowest bit is set */ { len += MAXCODEFITLONG; } else { /* okay, we seem to be at the end of the compressed sequence, and we need to find out the actual size */ --seqptr; cnt = MAXCODEFITLONG; while(--cnt) { if(*seqptr & pg->pg_BitsMaskTable[cnt]) /* seems like we found it */ { len += cnt; break; } } break; } } while(TRUE); return(len); } /* \\\ */ /* /// "GetCompressedLongSize()" */ UWORD GetCompressedLongSize(struct PTPanGlobal *pg, ULONG pval) { UWORD cnt = MAXCODEFITLONG; while(!(pval & pg->pg_BitsMaskTable[cnt])) /* check, if termination bit is set */ { cnt--; } return(cnt); } /* \\\ */ /* /// "DecompressSequenceTo() */ ULONG DecompressSequenceTo(struct PTPanGlobal *pg, ULONG *seqptr, STRPTR tarseq) { ULONG len = 0; BOOL lastlong; UWORD cnt; ULONG pval; do { /* get next longword */ pval = *seqptr++; cnt = GetCompressedLongSize(pg, pval); pval >>= pg->pg_BitsShiftTable[cnt]; lastlong = (cnt < MAXCODEFITLONG); /* last longword reached? */ /* unpack compressed longword */ if(cnt) { do { *tarseq++ = pg->pg_DecompressTable[(pval / pg->pg_PowerTable[--cnt]) % pg->pg_AlphaSize]; len++; } while(cnt); } } while(!lastlong); *tarseq = 0; /* null terminate string */ return(len); } /* \\\ */ /* /// "DecompressCompressedLongTo() */ ULONG DecompressCompressedLongTo(struct PTPanGlobal *pg, ULONG pval, STRPTR tarseq) { ULONG len; UWORD cnt; len = cnt = GetCompressedLongSize(pg, pval); pval >>= pg->pg_BitsShiftTable[cnt]; /* unpack compressed longword */ do { *tarseq++ = pg->pg_DecompressTable[(pval / pg->pg_PowerTable[--cnt]) % pg->pg_AlphaSize]; } while(cnt); *tarseq = 0; /* null terminate string */ return(len); } /* \\\ */ /* /// "DecompressSequence()" */ STRPTR DecompressSequence(struct PTPanGlobal *pg, ULONG *seqptr) { ULONG len; STRPTR tarseq; /* first get length */ len = GetLengthOfCompressedSequence(pg, seqptr); /* allocate memory for uncompressed sequence */ tarseq = (STRPTR) malloc(len + 1); if(!tarseq) { return(NULL); /* out of memory */ } /* decompress sequence */ DecompressSequenceTo(pg, seqptr, tarseq); //printf("Decompressed sequence '%s'\n", tarseq); return(tarseq); } /* \\\ */ /* /// "DecompressSequencePartTo()" */ LONG DecompressSequencePartTo(struct PTPanGlobal *pg, ULONG *seqptr, ULONG seqpos, ULONG length, STRPTR tarseq) { ULONG off = seqpos / MAXCODEFITLONG; UWORD codeoff = seqpos % MAXCODEFITLONG; UWORD cnt; ULONG len = 0; ULONG pval; BOOL lastlong; BOOL first; if(!length) /* empty sequence requested? */ { *tarseq = 0; return(0); } /* decompress sequence */ first = TRUE; seqptr += off; do { /* get next longword */ pval = *seqptr++; cnt = GetCompressedLongSize(pg, pval); pval >>= pg->pg_BitsShiftTable[cnt]; lastlong = (cnt < MAXCODEFITLONG); /* last longword reached? */ if(first) /* do we need to start at a certain offset? */ { if(codeoff > cnt) /* past end of sequence? */ { break; } cnt -= codeoff; first = FALSE; } /* unpack compressed longword */ do { *tarseq++ = pg->pg_DecompressTable[(pval / pg->pg_PowerTable[--cnt]) % pg->pg_AlphaSize]; len++; length--; } while(cnt && length); } while(length && !lastlong); *tarseq = 0; /* null terminate string */ return(len); } /* \\\ */ /* /// "GetNextCharacter()" */ UBYTE GetNextCharacter(struct PTPanGlobal *pg, UBYTE* buffer, ULONG &bitpos, ULONG &count) { UBYTE character = 0xff; // return the next character of UBYTE code; // sequence or 0xff if end flag found // increase bitpos by consumed bits code = ReadBits(buffer, bitpos, 3); // set count to the number of bitpos += 3; // found characters if (code == 0x07) // end flag { return 0xff; } else if (code <= SEQCODE_T) // valid character { character = pg->pg_DecompressTable[code]; count = 1; } else if ((code == SEQCODE_DOT) || (code == SEQCODE_HYPHEN)) // '.' or '-' { // skip ... chars if (code == SEQCODE_DOT) character = '.'; if (code == SEQCODE_HYPHEN) character = '-'; code = ReadBits(buffer, bitpos, 4); if ((code >> 3) == 0x01) // 1xxx skip one { count = 1; ++bitpos; } else if ((code >> 2) == 0x01) // 01xx skip two { count = 2; bitpos += 2; } else if ((code >> 1) == 0x01) // 001x skip up to 63 { bitpos += 3; count = ReadBits(buffer, bitpos, 6); bitpos += 6; } else if ((code) == 0x01) // 0001 skip up to 1023 { bitpos += 4; count = ReadBits(buffer, bitpos, 10); bitpos += 10; } else if ((code) == 0x00) // 0000 skip up to 8191 { bitpos += 4; count = ReadBits(buffer, bitpos, 13); bitpos += 13; ULONG tmpbitpos = bitpos; // test if next char is also the same. ULONG tmpcount = count; UBYTE tmpcode = GetNextCharacter(pg, buffer, tmpbitpos, tmpcount); if (character == tmpcode) // it is -> the number of same characters { // was splitted (i.e. >8191) arb_assert(count == 8191); bitpos = tmpbitpos; // consume bits... count += tmpcount; // ...and add count } } else // { arb_assert(false); // shouldn't be possible to get to this line } } else // neither end-flag nor valid char { // nor '.' nor '-' => something went wrong arb_assert(false); } return character; } /* \\\ */ ULONG WriteManyChars(UBYTE* buffer, ULONG bitpos, BYTE c, ULONG i) { arb_assert((c == SEQCODE_DOT) || (c == SEQCODE_HYPHEN)); // only '.' and '-' are allowed while (i > 0) { bitpos = WriteBits(buffer, bitpos, c, 3); // code for character if (i == 1) { bitpos = WriteBits(buffer, bitpos, 0x01, 1); // 1 return bitpos; } if (i == 2) { bitpos = WriteBits(buffer, bitpos, 0x01, 2); // 01 return bitpos; } if (i <= 63) { bitpos = WriteBits(buffer, bitpos, 0x01, 3); // 001 bitpos = WriteBits(buffer, bitpos, (i & 0x3f), 6); // 6 bit payload (up to 63) return bitpos; } if (i <= 1023) { bitpos = WriteBits(buffer, bitpos, 0x01, 4); // 0001 bitpos = WriteBits(buffer, bitpos, (i & 0x3ff), 10); // 10 bit payload (up to 1023) return bitpos; } if (i <= 8191) { bitpos = WriteBits(buffer, bitpos, 0x00, 4); // 0000 bitpos = WriteBits(buffer, bitpos, (i & 0x1fff), 13); // 13 bit payload (up to 8191) return bitpos; } bitpos = WriteBits(buffer, bitpos, 0x00, 4); // 0000 bitpos = WriteBits(buffer, bitpos, 8191, 13); // 13 bit payload (exactly 8191) i -= 8191; } return bitpos; } /* /// "CompressSequenceWithDotsAndHyphens()" */ ULONG CompressSequenceWithDotsAndHyphens(struct PTPanGlobal *pg, struct PTPanSpecies *ps) { ULONG len = 0; // len is the count of characters inserted into ps_RawData ULONG bitpos = 0; // ...ps_RawDataSize will be set to len later UBYTE* ptr = (UBYTE*) ps->ps_SeqData; UBYTE* buffer = (UBYTE*) malloc((ps->ps_SeqDataSize * 3 / 8) + 1); // TODO: look over it and find a good if (buffer == NULL) // estimation of needed size { // TODO: what is faster, precount or // estimate and realloc? printf("Error: Could not get enough memory to compress sequences with dots and hyphens\n"); return FALSE; } while (*ptr) { arb_assert(((bitpos >> 3) + 1 < ps->ps_SeqDataSize)); if (*ptr == '.') { // found a '.' ULONG count; for (count = 0; *ptr == '.'; ++count, ++ptr) { } // count all '.' #ifdef ALLOWDOTSINMATCH if (count <= MAXDOTSINMATCH) { len += count; while (count-- > 0) // write 'count' { // times one '.' bitpos = WriteManyChars(buffer, bitpos, SEQCODE_DOT, 1); } } else bitpos = WriteManyChars(buffer, bitpos, SEQCODE_DOT, count); // write all '.' #else bitpos = WriteManyChars(buffer, bitpos, SEQCODE_DOT, count); // write all '.' #endif } else if (*ptr == '-') { // found a '-' ULONG count; for (count = 0; *ptr == '-'; ++count, ++ptr) { } // count all '-' bitpos = WriteManyChars(buffer, bitpos, SEQCODE_HYPHEN, count); // write all '-' } else if (pg->pg_SeqCodeValidTable[*ptr]) { // found a valid character UBYTE seqcode = pg->pg_CompressTable[*ptr]; arb_assert(seqcode <= SEQCODE_T); bitpos = WriteBits(buffer, bitpos, seqcode, 3); // write valid char ++ptr; ++len; } else { // found an unknown char // printf("Found an unknown char in Species Sequence - ignoring\n"); bitpos = WriteManyChars(buffer, bitpos, SEQCODE_HYPHEN, 1); // write one '-' ++ptr; } } bitpos = WriteBits(buffer, bitpos, 0x07, 3); // write end flag (111) ps->ps_SeqDataCompressedSize = bitpos; ps->ps_SeqDataCompressed = (UBYTE*) realloc(buffer, (bitpos >> 3) + 1); if (ps->ps_SeqDataCompressed == NULL) { printf("Error: Could not get enough memory to compress sequences with dots and hyphens\n"); return -1; } if (ReadBits(buffer, bitpos - 3, 3) != 0x07) { printf("Error Compressing SeqData (with '.' and '-')\tSpecies: %s\n", ps->ps_Name); return -1; } pg->pg_TotalSeqCompressedSize += ((ps->ps_SeqDataCompressedSize >> 3) + 1); // convert from bit to byte return len; } /* /// "ComplementSequence()" */ void ComplementSequence(struct PTPanGlobal *pg, STRPTR seqstr) { UBYTE code; /* flip A<->T and C<->G */ while((code = *seqstr)) { *seqstr++ = pg->pg_DecompressTable[pg->pg_ComplementTable[pg->pg_CompressTable[code]]]; } } /* \\\ */ /* /// "ReverseSequence()" */ void ReverseSequence(struct PTPanGlobal *, STRPTR seqstr) { char code; STRPTR leftptr = seqstr; STRPTR rightptr = &seqstr[strlen(seqstr)]; /* reverse the sequence string */ while(leftptr < rightptr) { code = *leftptr; *leftptr++ = *--rightptr; *rightptr = code; } } /* \\\ */ /* /// "OpenDataBase()" initially open the database and read the species data. */ BOOL OpenDataBase(struct PTPanGlobal *pg) { GB_set_verbose(); /* open the database */ if(!(pg->pg_MainDB = GB_open(pg->pg_DBName, "r"))) { printf("Error reading file %s\n", pg->pg_DBName); return(FALSE); } GB_begin_transaction(pg->pg_MainDB); /* open the species data */ if(!(pg->pg_SpeciesData = GB_find(pg->pg_MainDB, "species_data", down_level))) { printf("Database %s is empty\n", pg->pg_DBName); return(FALSE); } /* add the extended data container */ pg->pg_SaiData = GBT_get_SAI_data(pg->pg_MainDB); pg->pg_AlignmentName = GBT_get_default_alignment(pg->pg_MainDB); printf("Building PT-Server for alignment '%s'...\n", pg->pg_AlignmentName); GB_commit_transaction(pg->pg_MainDB); return(TRUE); } /* \\\ */ /* /// "LoadEcoliSequence()" */ BOOL LoadEcoliSequence(struct PTPanGlobal *pg) { GBDATA *gb_extdata; STRPTR defaultref = GBT_get_default_ref(pg->pg_MainDB); gb_extdata = GBT_find_SAI_rel_SAI_data(pg->pg_SaiData, defaultref); free(defaultref); /* free memory if previously allocated */ freeset(pg->pg_EcoliSeq, NULL); freeset(pg->pg_EcoliBaseTable, NULL); /* prepare ecoli sequence */ if(gb_extdata) { GBDATA *gb_data; gb_data = GBT_read_sequence(gb_extdata, pg->pg_AlignmentName); if(gb_data) { ULONG abspos = 0; STRPTR srcseq; ULONG *posptr; /* load sequence */ pg->pg_EcoliSeqSize = GB_read_string_count(gb_data); pg->pg_EcoliSeq = GB_read_string(gb_data); /* calculate look up table to speed up ecoli position calculation */ pg->pg_EcoliBaseTable = (ULONG *) calloc(pg->pg_EcoliSeqSize + 1, sizeof(ULONG)); if(pg->pg_EcoliBaseTable) { srcseq = pg->pg_EcoliSeq; posptr = pg->pg_EcoliBaseTable; // TODO: check if this works well while(*srcseq) // with ALLOWDOTSINMATCH { *posptr++ = abspos; if(pg->pg_SeqCodeValidTable[*srcseq++]) { abspos++; } } *posptr = abspos; return(TRUE); } else { printf("Out of memory for ecoli position table!\n"); } } } return(FALSE); } /* \\\ */ /* /// "FreeAllSpecies()" */ void FreeAllSpecies(struct PTPanGlobal *pg) { struct PTPanSpecies *ps; FlushCache(pg->pg_SpeciesCache); ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while(ps->ps_Node.ln_Succ) { FreeCacheNode(pg->pg_SpeciesCache, ps->ps_CacheNode); Remove(&ps->ps_Node); free(ps->ps_Name); free(ps->ps_FullName); freeset(ps, (struct PTPanSpecies *) pg->pg_Species.lh_Head); } FreeBinTree(pg->pg_SpeciesBinTree); pg->pg_SpeciesBinTree = NULL; pg->pg_NumSpecies = 0; pg->pg_TotalSeqSize = 0; pg->pg_TotalSeqCompressedSize = 0; pg->pg_TotalRawSize = 0; pg->pg_TotalRawBits = 0; } /* \\\ */ /* /// "CacheSpeciesLoad()" */ BOOL CacheSpeciesLoad(struct CacheHandler *, struct PTPanSpecies *ps) { //struct PTPanGlobal *pg = (struct PTPanGlobal *pg) ch->ch_UserData; if(!ps->ps_SeqData) { /* load alignment data */ ps->ps_SeqData = GB_read_string(ps->ps_SeqDataDB); return(TRUE); } return(FALSE); } /* \\\ */ /* /// "CacheSpeciesUnload()" */ BOOL CacheSpeciesUnload(struct CacheHandler *, struct PTPanSpecies *ps) { //struct PTPanGlobal *pg = (struct PTPanGlobal *pg) ch->ch_UserData; if(ps->ps_SeqData) { /* load alignment data */ freeset(ps->ps_SeqData, NULL); return(TRUE); } return(FALSE); } /* \\\ */ /* /// "CacheSpeciesSize()" */ ULONG CacheSpeciesSize(struct CacheHandler *, struct PTPanSpecies *ps) { //struct PTPanGlobal *pg = (struct PTPanGlobal *pg) ch->ch_UserData; return(ps->ps_SeqDataSize); } /* \\\ */ /* /// "LoadSpecies()" */ BOOL LoadSpecies(struct PTPanGlobal *pg) { GBDATA *gb_species; struct PTPanSpecies *ps; ULONG ignorecount; ULONG longestali = 0; /* NOTE: This database scan should avoided. We should store all the data that's built up here in a secondary file. That way we would get rid of the loading and scanning of the sequence data in low memory mode */ /* open data base */ if(!(OpenDataBase(pg))) { printf("Failed to open database %s!\n", pg->pg_DBName); exit(1); } GB_begin_transaction(pg->pg_MainDB); /* get the ecoli reference sequence */ LoadEcoliSequence(pg); if(pg->pg_TotalRawSize) /* seems like we've already have the list */ { /* only load in alignment data */ if(pg->pg_LowMemoryMode) { GB_commit_transaction(pg->pg_MainDB); return(TRUE); } printf("Reloading alignment data...\n"); ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while(ps->ps_Node.ln_Succ) { ps->ps_CacheNode = CacheLoadData(pg->pg_SpeciesCache, ps->ps_CacheNode, ps); ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; } GB_commit_transaction(pg->pg_MainDB); return(TRUE); } FreeAllSpecies(pg); /* add the species to the list */ pg->pg_MaxBaseLength = 0; pg->pg_TotalSeqSize = 0; pg->pg_TotalSeqCompressedSize = 0; pg->pg_TotalRawSize = 0; pg->pg_NumSpecies = 0; ignorecount = 0; for(gb_species = GBT_first_species_rel_species_data(pg->pg_SpeciesData); gb_species; gb_species = GBT_next_species(gb_species)) { GBDATA *gb_name; GBDATA *gb_ali; GBDATA *gb_data; STRPTR spname; /* get name */ gb_name = GB_find(gb_species, "name", down_level); if(!gb_name) { ignorecount++; continue; /* huh? couldn't find the name of the species? */ } spname = GB_read_string(gb_name); /* get alignments */ gb_ali = GB_find(gb_species, pg->pg_AlignmentName, down_level); if(!gb_ali) { ignorecount++; free(spname); continue; /* too bad, no alignment information found */ } gb_data = GB_find(gb_ali, "data", down_level); if(!gb_data) { ignorecount++; fprintf(stderr, "Species '%s' has no data in '%s'\n", spname, pg->pg_AlignmentName); free(spname); continue; } /* okay, cannot fail now anymore, allocate a PTPanSpecies structure */ ps = (struct PTPanSpecies *) calloc(1, sizeof(struct PTPanSpecies)); /* write name and long name into the structure */ ps->ps_SpeciesDB = gb_species; ps->ps_SeqDataDB = gb_data; ps->ps_IsGroup = TRUE; ps->ps_Name = spname; gb_name = GB_find(gb_species, "full_name", down_level); if(gb_name) { ps->ps_FullName = GB_read_string(gb_name); } else { ps->ps_FullName = strdup(ps->ps_Name); } /* (temporarily) load in the alignment and compress it */ ps->ps_SeqDataSize = GB_read_string_count(ps->ps_SeqDataDB); ps->ps_SeqData = GB_read_string(ps->ps_SeqDataDB); if(strlen(ps->ps_SeqData) != ps->ps_SeqDataSize) { printf("%s is corrupt, ignoring!\n", ps->ps_Name); ignorecount++; FreeCacheNode(pg->pg_SpeciesCache, ps->ps_CacheNode); free(ps->ps_SeqData); free(ps->ps_Name); free(ps->ps_FullName); free(ps); continue; /* too bad, alignment was somehow corrupt */ } #if 0 /* not required anymore */ if(pg->pg_LowMemoryMode) /* free memory in low memory case */ { CacheUnloadData(pg->pg_SpeciesCache, ps->ps_CacheNode); } #endif ps->ps_RawDataSize = CompressSequenceWithDotsAndHyphens(pg, ps); freeset(ps->ps_SeqData, NULL); if (ps->ps_RawDataSize < 0) // TODO: problem, ps_RawDataSize is unsigned... { printf("%s is corrupt, ignoring!\n", ps->ps_Name); ignorecount++; FreeCacheNode(pg->pg_SpeciesCache, ps->ps_CacheNode); free(ps->ps_Name); free(ps->ps_FullName); free(ps); continue; } /* enter global absolute offset in index */ ps->ps_AbsOffset = pg->pg_TotalRawSize; ps->ps_Node.ln_Pri = ps->ps_AbsOffset; pg->pg_TotalSeqSize += ps->ps_SeqDataSize; pg->pg_TotalRawSize += ps->ps_RawDataSize; if(ps->ps_RawDataSize > pg->pg_MaxBaseLength) { pg->pg_MaxBaseLength = ps->ps_RawDataSize; } if(ps->ps_SeqDataSize > longestali) { longestali = ps->ps_SeqDataSize; } /* Init complete, now add it to the list */ //printf("Added %s ('%s')...\n", ps->ps_Name, ps->ps_FullName); AddTail(&pg->pg_Species, &ps->ps_Node); pg->pg_NumSpecies++; /* visual feedback */ if((pg->pg_NumSpecies % 10) == 0) { if(pg->pg_NumSpecies % 500) { printf("."); fflush(stdout); } else { printf(".%6ld (%6lld KB)\n", pg->pg_NumSpecies, (ps->ps_AbsOffset >> 10)); } } } /* calculate bits usage */ pg->pg_TotalRawBits = 8; while((1UL << pg->pg_TotalRawBits) < pg->pg_TotalRawSize) { pg->pg_TotalRawBits++; } /* build tree to find species quicker by raw position */ pg->pg_SpeciesBinTree = BuildBinTree(&pg->pg_Species); printf("\nLongest sequence was %ld bases (alignment size %ld).\n\n", pg->pg_MaxBaseLength, longestali); printf("Database contains %ld valid species (%ld ignored).\n" "%lld bytes alignment data (%lld bases).\n", pg->pg_NumSpecies, ignorecount, pg->pg_TotalSeqSize, pg->pg_TotalRawSize); printf("Compressed sequence data (with dots and hyphens): %llu byte (%llu kb, %llu mb)\n", pg->pg_TotalSeqCompressedSize, pg->pg_TotalSeqCompressedSize >> 10, pg->pg_TotalSeqCompressedSize >> 20); pg->pg_Bench.ts_CollectDB = BenchTimePassed(pg); /* done! */ GB_commit_transaction(pg->pg_MainDB); return(TRUE); } /* \\\ */ /* /// "LoadIndexHeader()" */ BOOL LoadIndexHeader(struct PTPanGlobal *pg) { FILE *fh; struct PTPanSpecies *ps; struct PTPanPartition *pp; ULONG numspec; ULONG ignorecount; ULONG endian = 0; UWORD version = 0; UWORD cnt; char idstr[16]; FreeAllSpecies(pg); FreeAllPartitions(pg); /* Does similar things as LoadSpecies() */ if(!(fh = fopen(pg->pg_IndexName, "r"))) { printf("ERROR: Couldn't open index %s!\n", pg->pg_IndexName); return(FALSE); } /* read id string */ fread(idstr, 16, 1, fh); if(strncmp("TUM PeTerPAN IDX", idstr, 16)) { printf("ERROR: This is no index file!\n"); fclose(fh); return(FALSE); } /* check endianness */ fread(&endian, sizeof(endian), 1, fh); if(endian != 0x01020304) { printf("ERROR: Index was created on a different endian machine (%08lx)!\n", endian); fclose(fh); return(FALSE); } /* check file structure version */ fread(&version, sizeof(version), 1, fh); if(version != FILESTRUCTVERSION) { printf("ERROR: Index (V%d.%d) does not match current file structure version (V%d.%d)!\n", version >> 8, version & 0xff, FILESTRUCTVERSION >> 8, FILESTRUCTVERSION & 0xff); fclose(fh); return(FALSE); } /* read the rest of the important data */ fread(&pg->pg_UseStdSfxTree, sizeof(pg->pg_UseStdSfxTree), 1, fh); fread(&pg->pg_AlphaSize , sizeof(pg->pg_AlphaSize) , 1, fh); fread(&pg->pg_TotalSeqSize , sizeof(pg->pg_TotalSeqSize) , 1, fh); fread(&pg->pg_TotalSeqCompressedSize, sizeof(pg->pg_TotalSeqCompressedSize) , 1, fh); fread(&pg->pg_TotalRawSize , sizeof(pg->pg_TotalRawSize) , 1, fh); fread(&pg->pg_TotalRawBits , sizeof(pg->pg_TotalRawBits) , 1, fh); fread(&pg->pg_AllHashSum , sizeof(pg->pg_AllHashSum) , 1, fh); fread(&pg->pg_NumSpecies , sizeof(pg->pg_NumSpecies) , 1, fh); fread(&pg->pg_NumPartitions, sizeof(pg->pg_NumPartitions), 1, fh); fread(&pg->pg_MaxPrefixLen , sizeof(pg->pg_MaxPrefixLen) , 1, fh); // read Ecoli Sequence /* free memory if previously allocated */ freeset(pg->pg_EcoliSeq, NULL); freeset(pg->pg_EcoliBaseTable, NULL); fread(&pg->pg_EcoliSeqSize, sizeof(pg->pg_EcoliSeqSize), 1, fh); if (pg->pg_EcoliSeqSize > 0) { // only read EcoliSeq and pg->pg_EcoliSeq = (char*) malloc(pg->pg_EcoliSeqSize + 1); // EcoliBaseTable if we if(!pg->pg_EcoliSeq) // fonud them earlier in { // the build process... printf("Out of memory allocating buffer for pg->pg_EcoliSeq!\n"); // aka if pg_EcoliSeqSize return(FALSE); // is greater than zero } fread(pg->pg_EcoliSeq, 1, pg->pg_EcoliSeqSize + 1, fh); pg->pg_EcoliBaseTable = (ULONG *) calloc(pg->pg_EcoliSeqSize + 1, sizeof(ULONG)); if(!pg->pg_EcoliBaseTable) { printf("Out of memory allocating buffer for pg->pg_EcoliBaseTable!\n"); return(FALSE); } fread(pg->pg_EcoliBaseTable, sizeof(ULONG), pg->pg_EcoliSeqSize + 1, fh); } /* fix partition loading routine for standard suffix tree */ if(pg->pg_UseStdSfxTree) { pg->pg_PartitionCache->ch_LoadFunc = (BOOL (*)(struct CacheHandler *, APTR)) CacheStdSuffixPartitionLoad; pg->pg_PartitionCache->ch_UnloadFunc = (BOOL (*)(struct CacheHandler *, APTR)) CacheStdSuffixPartitionUnload; } /* add the species to the list */ pg->pg_SpeciesMap = (struct PTPanSpecies **) calloc(sizeof(struct PTPanSpecies *), pg->pg_NumSpecies); ignorecount = 0; numspec = 0; while(numspec < pg->pg_NumSpecies) { STRPTR spname; STRPTR filespname; STRPTR fullname; UWORD len; BOOL obsolete; obsolete = FALSE; fullname = NULL; /* get name of species on disk */ fread(&len, sizeof(len), 1, fh); filespname = (STRPTR) calloc(len+1, 1); fread(filespname, len, 1, fh); fread(&len, sizeof(len), 1, fh); fullname = (STRPTR) calloc(len+1, 1); fread(fullname, len, 1, fh); /* okay, cannot fail now anymore, allocate a PTPanSpecies structure */ ps = (struct PTPanSpecies *) calloc(1, sizeof(struct PTPanSpecies)); pg->pg_SpeciesMap[numspec] = ps; ps->ps_Num = numspec + ignorecount; /* write name and long name into the structure */ ps->ps_SpeciesDB = NULL; ps->ps_SeqDataDB = NULL; ps->ps_IsGroup = FALSE; ps->ps_Obsolete = obsolete; ps->ps_Name = filespname; ps->ps_FullName = fullname; /* load in the alignment information */ fread(&ps->ps_SeqDataSize, sizeof(ps->ps_SeqDataSize), 1, fh); fread(&ps->ps_RawDataSize, sizeof(ps->ps_RawDataSize), 1, fh); fread(&ps->ps_AbsOffset, sizeof(ps->ps_AbsOffset), 1, fh); fread(&ps->ps_SeqHash, sizeof(ps->ps_SeqHash), 1, fh); fread(&ps->ps_SeqDataCompressedSize, sizeof(ps->ps_SeqDataCompressedSize), 1, fh); ps->ps_SeqDataCompressed = (UBYTE*) malloc((ps->ps_SeqDataCompressedSize >> 3) + 1); if(!ps->ps_SeqDataCompressed) { printf("Out of memory allocating buffer for compressed SeqData (with '.' and '-')!\n"); return(FALSE); } fread(ps->ps_SeqDataCompressed, 1, ((ps->ps_SeqDataCompressedSize >> 3) + 1), fh); ps->ps_Node.ln_Pri = ps->ps_AbsOffset; /* Init complete, now add it to the list */ //printf("Added %s ('%s')...\n", ps->ps_Name, ps->ps_FullName); AddTail(&pg->pg_Species, &ps->ps_Node); numspec++; /* visual feedback */ if((numspec % 20) == 0) { if(numspec % 1000) { printf("."); fflush(stdout); } else { printf(".%6ld (%6lld KB)\n", numspec, (ps->ps_AbsOffset>>10)); } } } if(numspec != pg->pg_NumSpecies) { printf("ERROR: Number of species has changed!\n"); fclose(fh); return(FALSE); } /* build tree to find species quicker by raw position */ pg->pg_SpeciesBinTree = BuildBinTree(&pg->pg_Species); /* build a species name hash to mark species in groups */ pg->pg_SpeciesNameHash = GBS_create_hash(SPECIESNAMEHASHSIZE, GB_IGNORE_CASE); // TODO: JB: check if GB_IGNORE_CASE // is right (was 0) ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while(ps->ps_Node.ln_Succ) { GBS_write_hash(pg->pg_SpeciesNameHash, ps->ps_Name, ps->ps_Num + 1); ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; } printf("\n\nDatabase contains %ld valid species (%ld ignored).\n" "%lld bytes alignment data (%lld bases).\n", pg->pg_NumSpecies, ignorecount, pg->pg_TotalSeqSize, pg->pg_TotalRawSize); printf("Compressed sequence data (with dots and hyphens): %llu byte (%llu kb, %llu mb)\n", pg->pg_TotalSeqCompressedSize, pg->pg_TotalSeqCompressedSize >> 10, pg->pg_TotalSeqCompressedSize >> 20); printf("Number of partitions: %d\n", pg->pg_NumPartitions); for(cnt = 0; cnt < pg->pg_NumPartitions; cnt++) { ULONG pcnt; pp = (struct PTPanPartition *) calloc(1, sizeof(struct PTPanPartition)); if(!pp) { fclose(fh); return(FALSE); /* out of memory */ } pp->pp_PTPanGlobal = pg; fread(&pp->pp_ID, sizeof(pp->pp_ID), 1, fh); fread(&pp->pp_Prefix, sizeof(pp->pp_Prefix), 1, fh); fread(&pp->pp_PrefixLen, sizeof(pp->pp_PrefixLen), 1, fh); fread(&pp->pp_Size, sizeof(pp->pp_Size), 1, fh); fread(&pp->pp_RawOffset, sizeof(pp->pp_RawOffset), 1, fh); pp->pp_PartitionName = (STRPTR) calloc(strlen(pg->pg_IndexName) + 5, 1); if(pg->pg_UseStdSfxTree) { strncpy(pp->pp_PartitionName, pg->pg_IndexName, strlen(pg->pg_IndexName) - 3); sprintf(&pp->pp_PartitionName[strlen(pg->pg_IndexName) - 3], "sfx", pp->pp_ID); } else { strncpy(pp->pp_PartitionName, pg->pg_IndexName, strlen(pg->pg_IndexName) - 2); sprintf(&pp->pp_PartitionName[strlen(pg->pg_IndexName) - 2], "t%03ld", pp->pp_ID); } /* generate partition string */ pcnt = pp->pp_PrefixLen; pp->pp_PrefixSeq = (STRPTR) malloc(pcnt + 1); while(pcnt) { pp->pp_PrefixSeq[pp->pp_PrefixLen - pcnt] = pg->pg_DecompressTable[(pp->pp_Prefix / pg->pg_PowerTable[pcnt - 1]) % pg->pg_AlphaSize]; pcnt--; } pp->pp_PrefixSeq[pp->pp_PrefixLen] = 0; //printf("Part %ld (%ld = '%s')\n", pp->pp_ID, pp->pp_Prefix, pp->pp_PrefixSeq); /* partition ready, add it */ AddTail(&pg->pg_Partitions, &pp->pp_Node); } fclose(fh); /* done! */ return(TRUE); } /* \\\ */ /* /// "LoadAllPartitions()" */ BOOL LoadAllPartitions(struct PTPanGlobal *pg) { struct PTPanPartition *pp; /* load in each partition */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { if(!(pp->pp_CacheNode = CacheLoadData(pg->pg_PartitionCache, pp->pp_CacheNode, pp))) { return(FALSE); } pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } return(TRUE); } /* \\\ */ /* /// "FreeAllPartitions()" */ void FreeAllPartitions(struct PTPanGlobal *pg) { struct PTPanPartition *pp; FlushCache(pg->pg_PartitionCache); pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { FreeCacheNode(pg->pg_PartitionCache, pp->pp_CacheNode); Remove(&pp->pp_Node); free(pp->pp_PrefixSeq); FreeHuffmanTree(pp->pp_BranchTree); FreeHuffmanTree(pp->pp_ShortEdgeTree); FreeHuffmanTree(pp->pp_LongEdgeLenTree); freeset(pp, (struct PTPanPartition *) pg->pg_Partitions.lh_Head); } pg->pg_NumPartitions = 0; } /* \\\ */ ./arbsrc_9167/ptpan/PTP_main.cxx0000644012664100000130000004024011440743000016445 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" #include #include #include #include #include #define MAX_TRY 3 #define TIME_OUT 1000*60*60*24 /***************************************************************************** NEW STUFF *******************************************************************************/ /* /// "AllocPTPanGlobal()" */ struct PTPanGlobal * AllocPTPanGlobal(void) { struct PTPanGlobal *pg; ULONG cnt; ULONG pval; ULONG numbits; struct MismatchWeights *mw; /**** init server main struct ****/ printf("Init internal structs...\n"); pg = (struct PTPanGlobal *) calloc(1, sizeof(struct PTPanGlobal)); if(!pg) { printf("Error allocating PTPanGlobal!\n"); return(FALSE); } /* init some stuff and precalc tables */ NewList(&pg->pg_Species); NewList(&pg->pg_Partitions); pg->pg_AlphaSize = ALPHASIZE; /* calculate table of powers of alphabet size */ pval = 1; for(cnt = 0, pval = 1; cnt <= MAXCODEFITLONG; cnt++) { pg->pg_PowerTable[cnt] = pval; pval *= pg->pg_AlphaSize; } /* calculate table of bits used for code of size n */ pval = pg->pg_AlphaSize; numbits = 0; pg->pg_BitsUseTable[0] = 0; pg->pg_BitsMaskTable[0] = (1UL << (31-numbits)); for(cnt = 1; cnt <= MAXCODEFITLONG; cnt++) { while(pval > (1UL << numbits)) { numbits++; } pg->pg_BitsUseTable[cnt] = numbits; /* bits required for codesize */ pg->pg_BitsShiftTable[cnt] = 32 - numbits; /* how many bits to shift left */ pg->pg_BitsMaskTable[cnt] = (1UL << (31-numbits)); pval *= pg->pg_AlphaSize; } /* bits count table */ for(cnt = 0; cnt < 256; cnt++) { numbits = 0; pval = cnt; while(pval) { numbits += (pval & 1); pval >>= 1; } pg->pg_BitsCountTable[cnt] = numbits; } /* sequence compression tables */ /* due to calloc, this table is already set to SEQCODE_N for all other codes */ pg->pg_CompressTable[(UBYTE) 'a'] = SEQCODE_A; pg->pg_CompressTable[(UBYTE) 'A'] = SEQCODE_A; pg->pg_CompressTable[(UBYTE) 'c'] = SEQCODE_C; pg->pg_CompressTable[(UBYTE) 'C'] = SEQCODE_C; pg->pg_CompressTable[(UBYTE) 'g'] = SEQCODE_G; pg->pg_CompressTable[(UBYTE) 'G'] = SEQCODE_G; pg->pg_CompressTable[(UBYTE) 't'] = SEQCODE_T; pg->pg_CompressTable[(UBYTE) 'T'] = SEQCODE_T; pg->pg_CompressTable[(UBYTE) 'u'] = SEQCODE_T; pg->pg_CompressTable[(UBYTE) 'U'] = SEQCODE_T; pg->pg_CompressTable[(UBYTE) '-'] = SEQCODE_IGNORE; /* these chars don't go */ pg->pg_CompressTable[(UBYTE) '.'] = SEQCODE_IGNORE; /* into the tree */ pg->pg_CompressTable[0] = SEQCODE_IGNORE; /* terminal char, to optimize certain routines */ /* inverse table for decompressing */ pg->pg_DecompressTable[SEQCODE_N] = 'N'; pg->pg_DecompressTable[SEQCODE_A] = 'A'; pg->pg_DecompressTable[SEQCODE_C] = 'C'; pg->pg_DecompressTable[SEQCODE_G] = 'G'; pg->pg_DecompressTable[SEQCODE_T] = 'U'; /* table for creating the complement sequence */ pg->pg_ComplementTable[SEQCODE_N] = SEQCODE_N; pg->pg_ComplementTable[SEQCODE_A] = SEQCODE_T; pg->pg_ComplementTable[SEQCODE_C] = SEQCODE_G; pg->pg_ComplementTable[SEQCODE_G] = SEQCODE_C; pg->pg_ComplementTable[SEQCODE_T] = SEQCODE_A; /* counting table to avoid branches */ for(cnt = 0; cnt < 256; cnt++) { pg->pg_SeqCodeValidTable[cnt] = (pg->pg_CompressTable[cnt] == SEQCODE_IGNORE) ? 0 : 1; } pg->pg_FreeMem = GB_get_physical_memory(); #ifdef DEBUG printf("physical_memory=%lu k (%lu Mb)\n", pg->pg_FreeMem, pg->pg_FreeMem >> 10); #endif // DEBUG pg->pg_FreeMem <<= 10; /* initialize species cache handler */ pg->pg_SpeciesCache = AllocCacheHandler(); if(!pg->pg_SpeciesCache) { printf("Couldn't allocate species cache handler!\n"); free(pg); return(FALSE); } pg->pg_SpeciesCache->ch_UserData = pg; /* reserve about 10% of the memory for the species cache */ pg->pg_SpeciesCache->ch_MaxCapacity = (pg->pg_FreeMem / 10) * 1; pg->pg_SpeciesCache->ch_LoadFunc = (BOOL (*)(struct CacheHandler *, APTR)) CacheSpeciesLoad; pg->pg_SpeciesCache->ch_UnloadFunc = (BOOL (*)(struct CacheHandler *, APTR)) CacheSpeciesUnload; pg->pg_SpeciesCache->ch_SizeFunc = (ULONG (*)(struct CacheHandler *, APTR)) CacheSpeciesSize; /* initialize partitions cache handler */ pg->pg_PartitionCache = AllocCacheHandler(); if(!pg->pg_PartitionCache) { printf("Couldn't allocate partitions cache handler!\n"); FreeCacheHandler(pg->pg_SpeciesCache); free(pg); return(FALSE); } pg->pg_PartitionCache->ch_UserData = pg; /* reserve about 90% of the memory for the partition cache */ pg->pg_PartitionCache->ch_MaxCapacity = (pg->pg_FreeMem / 10) * 9; pg->pg_PartitionCache->ch_LoadFunc = (BOOL (*)(struct CacheHandler *, APTR)) CachePartitionLoad; pg->pg_PartitionCache->ch_UnloadFunc = (BOOL (*)(struct CacheHandler *, APTR)) CachePartitionUnload; pg->pg_PartitionCache->ch_SizeFunc = (ULONG (*)(struct CacheHandler *, APTR)) CachePartitionSize; /* default mismatch weights */ mw = &pg->pg_MismatchWeights; /* format: replace code1 (query) by code2 (database) adds x to the error value */ /* N A C G T (-> query) N 0.0 0.1 0.1 0.1 0.1 A * 0.0 1.0 1.0 1.0 C * 1.0 0.0 1.0 1.0 G * 1.0 1.0 0.0 1.0 T * 1.0 1.0 1.0 0.0 ins 2.0 2.0 2.0 2.0 2.0 del * 2.0 2.0 2.0 2.0 */ /* fill diagonal first (no mismatch) */ for(cnt = 0; cnt < ALPHASIZE; cnt++) { mw->mw_Replace[cnt * ALPHASIZE + cnt] = 0.0; } /* N is a joker, but setting it to slightly higher values might be sensible */ mw->mw_Replace[SEQCODE_A * ALPHASIZE + SEQCODE_N] = 0.1; mw->mw_Replace[SEQCODE_C * ALPHASIZE + SEQCODE_N] = 0.1; mw->mw_Replace[SEQCODE_G * ALPHASIZE + SEQCODE_N] = 0.1; mw->mw_Replace[SEQCODE_T * ALPHASIZE + SEQCODE_N] = 0.1; /* replacing N by A, C, G, T will not occur (search string may not contain N) */ mw->mw_Replace[SEQCODE_N * ALPHASIZE + SEQCODE_A] = 99999.0; mw->mw_Replace[SEQCODE_N * ALPHASIZE + SEQCODE_C] = 99999.0; mw->mw_Replace[SEQCODE_N * ALPHASIZE + SEQCODE_G] = 99999.0; mw->mw_Replace[SEQCODE_N * ALPHASIZE + SEQCODE_T] = 99999.0; /* other parts of the matrix (should be symmetrical, but doesn't need to) */ mw->mw_Replace[SEQCODE_A * ALPHASIZE + SEQCODE_C] = 1.1; mw->mw_Replace[SEQCODE_C * ALPHASIZE + SEQCODE_A] = 1.0; mw->mw_Replace[SEQCODE_A * ALPHASIZE + SEQCODE_G] = 0.2; mw->mw_Replace[SEQCODE_G * ALPHASIZE + SEQCODE_A] = 1.5; mw->mw_Replace[SEQCODE_A * ALPHASIZE + SEQCODE_T] = 1.1; mw->mw_Replace[SEQCODE_T * ALPHASIZE + SEQCODE_A] = 1.1; mw->mw_Replace[SEQCODE_C * ALPHASIZE + SEQCODE_G] = 1.1; mw->mw_Replace[SEQCODE_G * ALPHASIZE + SEQCODE_C] = 1.5; mw->mw_Replace[SEQCODE_C * ALPHASIZE + SEQCODE_T] = 0.6; mw->mw_Replace[SEQCODE_T * ALPHASIZE + SEQCODE_C] = 1.1; mw->mw_Replace[SEQCODE_G * ALPHASIZE + SEQCODE_T] = 1.5; mw->mw_Replace[SEQCODE_T * ALPHASIZE + SEQCODE_G] = 0.6; /* insert operations (to query string) */ mw->mw_Insert[SEQCODE_N] = 2.0; mw->mw_Insert[SEQCODE_A] = 2.0; mw->mw_Insert[SEQCODE_C] = 2.0; mw->mw_Insert[SEQCODE_G] = 2.0; mw->mw_Insert[SEQCODE_T] = 2.0; /* delete operations (from query string) */ mw->mw_Delete[SEQCODE_N] = 99999.0; /* should never happen */ mw->mw_Delete[SEQCODE_A] = 2.0; mw->mw_Delete[SEQCODE_C] = 2.0; mw->mw_Delete[SEQCODE_G] = 2.0; mw->mw_Delete[SEQCODE_T] = 2.0; /* init matrix for non-weighted stuff */ mw = &pg->pg_NoWeights; /* fill standard 1.0 values */ for(cnt = 0; cnt < (ALPHASIZE * ALPHASIZE); cnt++) { mw->mw_Replace[cnt] = 1.0; } /* fill diagonal first (no mismatch) and insert / delete */ for(cnt = 0; cnt < ALPHASIZE; cnt++) { mw->mw_Replace[cnt * ALPHASIZE] = 0.1; // N (joker) replacement mw->mw_Replace[cnt * ALPHASIZE + cnt] = 0.0; // diagonal mw->mw_Insert[cnt] = 2.0; mw->mw_Delete[cnt] = 2.0; } /* calculate maximum partition size (estimate 24 bytes per node) */ { ULONG partmem = pg->pg_FreeMem; /* tree building implementation is limited to max. 1 GB per partition */ if(partmem > (1UL<<30)) { partmem = 1UL<<30; } pg->pg_MaxPartitionSize = partmem / (((sizeof(struct SfxNode2Edges) * SMALLNODESPERCENT) + (sizeof(struct SfxNodeNEdges) * BIGNODESPERCENT)) / 100); } /* enable low memory mode */ pg->pg_LowMemoryMode = TRUE; gettimeofday(&pg->pg_Bench.ts_Init, NULL); pg->pg_Bench.ts_Last = pg->pg_Bench.ts_Init; /* init command line flags */ pg->pg_verbose = 0; return(pg); } /* \\\ */ /* /// "FreePTPanGlobal()" */ void FreePTPanGlobal(struct PTPanGlobal *pg) { FlushCache(pg->pg_SpeciesCache); FreeCacheHandler(pg->pg_SpeciesCache); FlushCache(pg->pg_PartitionCache); FreeCacheHandler(pg->pg_PartitionCache); free(pg); } /* \\\ */ /***************************************************************************** END OF NEW STUFF *******************************************************************************/ // *** FIXME *** see if we can get rid of this global structures struct PTPanGlobal *PTPanGlobalPtr = NULL; /***************************************************************************** Communication *******************************************************************************/ PT_main *aisc_main; /* muss so heissen */ extern "C" int server_shutdown(PT_main *, aisc_string passwd) { struct PTPanGlobal *pg = PTPanGlobalPtr; printf("EXTERN: server_shutdown\n"); /** passwdcheck **/ if(strcmp(passwd, "47@#34543df43%&3667gh")) { return 1; } printf("\nI got the shutdown message.\n"); /** shoot clients **/ aisc_broadcast(pg->pg_ComSocket, 0, "SERVER UPDATE BY ADMINISTRATOR!\n" "You'll get the latest version. Your on-screen\n" "information will be lost, sorry!"); /** shutdown **/ aisc_server_shutdown_and_exit(pg->pg_ComSocket, 0); return(0); } extern "C" int broadcast(PT_main *main, int) { struct PTPanGlobal *pg = PTPanGlobalPtr; printf("EXTERN: broadcast\n"); aisc_broadcast(pg->pg_ComSocket, main->m_type, main->m_text); return(0); } extern int aisc_core_on_error; int main(int argc, char *argv[]) { struct PTPanGlobal *pg; STRPTR commandflag; printf("\nTUM PeTer PAN SERVER (Chris Hodges) V0.12 18-Aug-04 (C) 2003-2004\n" "Complete rewrite of the original code by Oliver Strunk from 1993\n\n"); /* allocate the PTPanGlobal structure */ if(!(pg = AllocPTPanGlobal())) { exit(1); } /* argh! global variable! would be nice, if we could get rid of this -- it is only used by the AISC functions */ PTPanGlobalPtr = pg; /* aisc init */ GB_install_pid(0); /* not arb_clean able */ aisc_core_on_error = 0; pg->pg_AISC = create_PT_main(); GB_init_gb(); // nedded for PT_new_design /* set global variable -- sigh */ aisc_main = pg->pg_AISC; /* first get the parameters */ pg->pg_ArbParams = arb_trace_argv(&argc, argv); /* try to open com with any other pb server */ /* check command line syntax */ if((argc > 2) || ((argc < 2) && !pg->pg_ArbParams->db_server) || (argc >= 2 && strcmp(argv[1], "--help") == 0)) { printf("Syntax: %s [-look/-build/-kill/-QUERY] -Dfile.arb -TSocketid\n", argv[0]); exit(-1); } /* add default command flag */ if(argc == 2) { commandflag = argv[1]; } else { commandflag = (STRPTR) "-boot"; } /* get server host name */ if(!(pg->pg_ServerName = pg->pg_ArbParams->tcp)) { if(!(pg->pg_ServerName = (STRPTR) GBS_read_arb_tcp("ARB_PT_SERVER0"))) { GB_print_error(); /* no host name found */ exit(-1); } } /* generate tree filename */ pg->pg_DBName = pg->pg_ArbParams->db_server; pg->pg_IndexName = GBS_global_string_copy("%s.pan", pg->pg_DBName); /* check for other active servers */ { aisc_com *ptlink; T_PT_MAIN ptmain; ptlink = (aisc_com *) aisc_open(pg->pg_DBName, &ptmain, AISC_MAGIC_NUMBER); if(ptlink) { if(!strcasecmp(commandflag, "-look")) { exit(0); /* already another serther */ } printf("There is another active server. I'll try to terminate it violently...\n"); aisc_nput(ptlink, PT_MAIN, ptmain, MAIN_SHUTDOWN, "47@#34543df43%&3667gh", NULL); aisc_close(ptlink); } } if(!strcmp(commandflag, "-kill")) { exit(0); } if(!strncasecmp(commandflag, "-build", 6)) /* build command */ { ULONG val = atoi(&commandflag[6]); if(val) /* extra option */ { if(val > 100000) /* read out threshold */ { pg->pg_MaxPartitionSize = atoi(&commandflag[6]); printf("Forcing MaxPartitionSize = %ld.\n", pg->pg_MaxPartitionSize); } else { pg->pg_PruneLength = atoi(&commandflag[6]); printf("Forcing PruneLength = %d.\n", pg->pg_PruneLength); } } LoadSpecies(pg); if(!strncmp(commandflag, "-bUiLd", 6)) { pg->pg_UseStdSfxTree = TRUE; if(BuildStdSuffixTree(pg)) { printf("Suffix Tree index for database '%s' has been created.\n", pg->pg_DBName); BenchOutput(pg); exit(0); } else { printf("Unable to create Suffix Tree index for database '%s'!\n", pg->pg_DBName); exit(1); } } else { if(BuildPTPanIndex(pg)) { printf("PT_PAN index for database '%s' has been created.\n", pg->pg_DBName); BenchOutput(pg); exit(0); } else { printf("Unable to create PT_PAN index for database '%s'!\n", pg->pg_DBName); exit(1); } } } if(!strcasecmp(commandflag, "-QUERY")) { //enter_stage_3_load_tree(aisc_main, tname); /* now stage 3 */ exit(0); } /* Check if index is up2date */ { struct stat dbstat, idxstat; BOOL forcebuild = FALSE; if(stat(pg->pg_DBName, &dbstat)) { printf("PT_PAN: error while stat source %s\n", pg->pg_DBName); aisc_server_shutdown_and_exit(pg->pg_ComSocket, -1); } if(stat(pg->pg_IndexName, &idxstat)) { forcebuild = TRUE; /* there is no index at all! */ } else { if((dbstat.st_mtime > idxstat.st_mtime) || (idxstat.st_size == 0)) { /* so the index file was older or of zero size */ printf("PT_PAN: Database %s has been modified\n" "more recently than index %s.\n" "Forcing rebuilding of index...\n", pg->pg_DBName, pg->pg_IndexName); forcebuild = TRUE; } if(!LoadIndexHeader(pg)) { forcebuild = TRUE; /* an error occured while loading the index header */ } } if(forcebuild) { LoadSpecies(pg); if(BuildPTPanIndex(pg)) { printf("PT_PAN index for database '%s' has been created.\n", pg->pg_DBName); } else { printf("Unable to create PT_PAN index for database '%s'!\n", pg->pg_DBName); exit(1); } if(!LoadIndexHeader(pg)) { printf("Fatal error, couldn't load index even after creation attempt!\n"); exit(1); } } } /*if(!LoadAllPartitions(pg)) { printf("ERROR: Failed to load partitions into memory!\n"); exit(1); }*/ /* so much for the the init, now let's do some real work */ if(!strcasecmp(commandflag, "-v")) pg->pg_verbose = 1; if(!strcasecmp(commandflag, "-vv")) pg->pg_verbose = 2; if(!strcasecmp(commandflag, "-vvv")) pg->pg_verbose = 3; #if 0 { PT_exProb pep; pep.result = NULL; pep.restart = 1; pep.plength = 21; pep.numget = 100; PT_find_exProb(&pep); printf("%s\n", pep.result); } #endif /* open the socket connection */ printf("Opening connection...\n"); //sleep(1); { UWORD i; for(i = 0; i < MAX_TRY; i++) { if((pg->pg_ComSocket = open_aisc_server(pg->pg_ServerName, TIME_OUT, 0))) { break; } else { sleep(10); } } if(!pg->pg_ComSocket) { printf("PT_PAN: Gave up on opening the communication socket!\n"); exit(0); } } /****** all ok: main loop ********/ printf("ok, server is running.\n"); // do NOT change or remove! others depend on it fflush(stdout); aisc_accept_calls(pg->pg_ComSocket); aisc_server_shutdown_and_exit(pg->pg_ComSocket, 0); return(0); } ./arbsrc_9167/ptpan/PTP_match.cxx0000644012664100000130000006642711440743000016634 0ustar arb_buildcoders #include #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" #include #include /* /// "SearchPartition()" */ void SearchPartition(struct PTPanPartition *pp, struct SearchQuery *sq) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SearchQuery *tmpsq; /* do search on this partition */ tmpsq = CloneSearchQuery(sq); tmpsq->sq_PTPanPartition = pp; tmpsq->sq_SourceSeq = pp->pp_PrefixSeq; if (PTPanGlobalPtr->pg_verbose >0) printf("== SearchPartition: for %s\n", sq->sq_Query); if(MatchSequence(tmpsq)) { if(!(pp->pp_CacheNode = CacheLoadData(pg->pg_PartitionCache, pp->pp_CacheNode, pp))) { return; /* something went wrong while loading */ } SearchTree(tmpsq); PostFilterQueryHits(tmpsq); MergeQueryHits(sq, tmpsq); /* needs semaphore protection on parallel runs */ } pp->pp_Done = TRUE; FreeSearchQuery(tmpsq); } /* \\\ */ #ifdef BENCHMARK /* /// "QueryTests()" */ void QueryTests(struct PTPanGlobal *pg) { PT_local *locs; STRPTR ecoli; ULONG ecolilen; ULONG pos; ULONG qlen; char buf[32]; locs = (PT_local *) calloc(1, sizeof(PT_local)); ecoli = FilterSequence(pg, pg->pg_EcoliSeq); ecolilen = strlen(ecoli); locs->pm_max = 0; /* exact search */ locs->pm_complement = 0; locs->pm_reversed = 0; locs->sort_by = SORT_HITS_WEIGHTED; //qlen = 18; for(locs->pm_max = 4; locs->pm_max < 5; locs->pm_max++) { // for(qlen = 20; qlen - locs->pm_max >= 10; qlen--) for(qlen = 9 + locs->pm_max; qlen >= 10; qlen--) // for(qlen = 31; qlen >= 16; qlen--) { pg->pg_Bench.ts_Hits = 0; pg->pg_Bench.ts_UnsafeHits = 0; pg->pg_Bench.ts_UnsafeKilled = 0; pg->pg_Bench.ts_DupsKilled = 0; pg->pg_Bench.ts_CrossBoundKilled = 0; pg->pg_Bench.ts_DotsKilled = 0; pg->pg_Bench.ts_OutHits = 0; pg->pg_Bench.ts_CandSetTime= 0; pg->pg_Bench.ts_OutputTime = 0; for(pos = 0; pos < ecolilen - qlen; pos += 2) { strncpy(buf, &ecoli[pos], qlen); buf[qlen] = 0; probe_match(locs, strdup(buf)); } printf("qDAT: (queries qlen err hits gentime unsafe unkill dupskill crosskill dotskill outhits outtime)\n"); printf("%ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %ld %s QDAT\n", pos, qlen, locs->pm_max, pg->pg_Bench.ts_Hits, pg->pg_Bench.ts_CandSetTime, pg->pg_Bench.ts_UnsafeHits, pg->pg_Bench.ts_UnsafeKilled, pg->pg_Bench.ts_DupsKilled, pg->pg_Bench.ts_CrossBoundKilled, pg->pg_Bench.ts_DotsKilled, pg->pg_Bench.ts_OutHits, pg->pg_Bench.ts_OutputTime, pg->pg_DBName); fflush(stdout); } } printf("Done\n"); free(ecoli); free(locs); } /* \\\ */ #endif void PP_convertBondMatrix(PT_pdc *pdc, PTPanGlobal *pg) { for (int query = SEQCODE_A; query <= SEQCODE_T; ++query) { for (int species = SEQCODE_A; species <= SEQCODE_T; ++species) { int rowIdx = (pg->pg_ComplementTable[query] - SEQCODE_A)*4; int maxIdx = rowIdx + query - SEQCODE_A; int newIdx = rowIdx + species - SEQCODE_A; double max_bind = pdc->bond[maxIdx].val; double new_bind = pdc->bond[newIdx].val; pg->pg_MismatchWeights.mw_Replace[query * ALPHASIZE + species] = max_bind - new_bind; } } #if defined(DEBUG) printf("Current bond values:\n"); for (int y = 0; y<4; y++) { for (int x = 0; x<4; x++) { printf("%5.2f", pdc->bond[y*4+x].val); } printf("\n"); } printf("Current Replace Matrix:\n"); for (int query = SEQCODE_A; query <= SEQCODE_T; ++query) { for (int species = SEQCODE_A; species <= SEQCODE_T; ++species) { printf("%5.2f", pg->pg_MismatchWeights.mw_Replace[query * ALPHASIZE + species]); } printf("\n"); } #endif // DEBUG } static double PP_calc_position_wmis(int pos, int seq_len, double y1, double y2) { return (double)(((double)(pos * (seq_len - 1 - pos)) / (double)((seq_len - 1) * (seq_len - 1)))* (double)(y2*4.0) + y1); } void PP_buildPosWeight(SearchQuery *sq) { if (sq->sq_PosWeight) delete[] sq->sq_PosWeight; //printf("buildPosWeight: ...new double[%i];\n", sq->sq_QueryLen+1); sq->sq_PosWeight = new double[sq->sq_QueryLen+1]; // TODO: check if +1 is necessary for (int pos=0; pos < sq->sq_QueryLen; ++pos) { if (sq->sq_SortMode == SORT_HITS_WEIGHTED) { sq->sq_PosWeight[pos] = PP_calc_position_wmis(pos, sq->sq_QueryLen, 0.3, 1.0); }else{ sq->sq_PosWeight[pos] = 1.0; } } sq->sq_PosWeight[sq->sq_QueryLen] = 0.0; // TODO: check if last pos is necessary #if defined(DEBUG) printf("sq_Posweight[]: "); for (int pos=0; pos < sq->sq_QueryLen; ++pos) { printf("%f, ", sq->sq_PosWeight[pos]); } printf("%f\n", sq->sq_PosWeight[sq->sq_QueryLen]); #endif } /* /// "probe_match()" */ extern "C" int probe_match(PT_local *locs, aisc_string probestring) { struct PTPanGlobal *pg = PTPanGlobalPtr; struct PTPanPartition *pp; struct SearchQuery *sq; struct SearchQuery *compsq = NULL; PT_probematch *ml; pg->pg_SearchPrefs = locs; PP_convertBondMatrix(locs->pdc, pg); /* find out where a given probe matches */ if (PTPanGlobalPtr->pg_verbose >0) { printf("Search request for %s (errs = %d, compl = %d, rev = %d, weight = %d)\n", probestring, pg->pg_SearchPrefs->pm_max, pg->pg_SearchPrefs->pm_complement, pg->pg_SearchPrefs->pm_reversed, pg->pg_SearchPrefs->sort_by); } /* free the old sequence */ if(pg->pg_SearchPrefs->pm_sequence) { free(pg->pg_SearchPrefs->pm_sequence); } pg->pg_SearchPrefs->pm_sequence = FilterSequence(pg, probestring); /* do we need to check the complement instead of the normal one? */ if(pg->pg_SearchPrefs->pm_complement) { ComplementSequence(pg, pg->pg_SearchPrefs->pm_sequence); } /* do we need to look at the reversed sequence as well? */ if(pg->pg_SearchPrefs->pm_reversed) { if(pg->pg_SearchPrefs->pm_csequence) { free(pg->pg_SearchPrefs->pm_csequence); } pg->pg_SearchPrefs->pm_csequence = strdup(pg->pg_SearchPrefs->pm_sequence); ReverseSequence(pg, pg->pg_SearchPrefs->pm_csequence); ComplementSequence(pg, pg->pg_SearchPrefs->pm_csequence); } //psg.main_probe = strdup(probestring); /* clear all old matches */ while((ml = pg->pg_SearchPrefs->pm)) { destroy_PT_probematch(ml); } #if 1 /* check, if the probe string is too short */ if(strlen(pg->pg_SearchPrefs->pm_sequence) + (2 * pg->pg_SearchPrefs->pm_max) < MIN_PROBE_LENGTH) { SetARBErrorMsg(pg->pg_SearchPrefs, (STRPTR) "error: probe too short!!\n"); free(probestring); return(0); } #endif /* allocate query that configures and holds all the merged results */ sq = AllocSearchQuery(pg); /* prefs */ sq->sq_Query = (STRPTR) pg->pg_SearchPrefs->pm_sequence; sq->sq_QueryLen = strlen(sq->sq_Query); sq->sq_MaxErrors = (float) pg->pg_SearchPrefs->pm_max; sq->sq_Reversed = FALSE; sq->sq_AllowReplace = TRUE; sq->sq_AllowInsert = TRUE; sq->sq_AllowDelete = TRUE; sq->sq_KillNSeqsAt = strlen(sq->sq_Query) / 3; sq->sq_MinorMisThres = pg->pg_SearchPrefs->pdc->split; sq->sq_SortMode = pg->pg_SearchPrefs->sort_by; /* init */ sq->sq_PTPanPartition = NULL; PP_buildPosWeight(sq); if(pg->pg_SearchPrefs->sort_by) { /* user requested weighted searching */ sq->sq_MismatchWeights = &sq->sq_PTPanGlobal->pg_MismatchWeights; } else { /* user wants unified searching */ sq->sq_MismatchWeights = &sq->sq_PTPanGlobal->pg_NoWeights; } /* do we need to do a second query on the complement? */ if(pg->pg_SearchPrefs->pm_reversed) { compsq = CloneSearchQuery(sq); compsq->sq_Query = (STRPTR) pg->pg_SearchPrefs->pm_csequence; compsq->sq_Reversed = TRUE; } /* start time here */ #ifdef BENCHMARK if (PTPanGlobalPtr->pg_verbose >0) BenchTimePassed(pg); #endif /* search over partitions that are still in cache */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { pp->pp_Done = FALSE; if(CacheDataLoaded(pp->pp_CacheNode)) { /* search normal */ SearchPartition(pp, sq); /* and optionally, search complement */ if(compsq) { SearchPartition(pp, compsq); } } pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } /* search over all partitions not done yet */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { if(!pp->pp_Done) { /* search normal */ SearchPartition(pp, sq); /* and optionally, search complement */ if(compsq) { SearchPartition(pp, compsq); } } pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } #ifdef BENCHMARK if (PTPanGlobalPtr->pg_verbose >0) pg->pg_Bench.ts_CandSetTime += BenchTimePassed(pg); #endif SortHitsList(sq); CreateHitsGUIList(sq); FreeSearchQuery(sq); if(compsq) { SortHitsList(compsq); CreateHitsGUIList(compsq); FreeSearchQuery(compsq); } #ifdef BENCHMARK if (PTPanGlobalPtr->pg_verbose >0) pg->pg_Bench.ts_OutputTime += BenchTimePassed(pg); #endif free(probestring); /* I actually don't know, if this is required */ return 0; } /* \\\ */ /* /// "SortHitsList()" */ void SortHitsList(struct SearchQuery *sq) { //struct PTPanGlobal *pg = sq->sq_PTPanGlobal; struct QueryHit *qh; /* enter priority and sort */ qh = (struct QueryHit *) sq->sq_Hits.lh_Head; if(sq->sq_SortMode == SORT_HITS_NOWEIGHT) { /* sorting criteria: - normal/composite (1 bit) - replace only or insert/delete (1 bit) - mismatch count (5 bits) - error count (8 bits) - species (20 bits) - absolute position (28 bits) */ //printf("Sort no weight...\n"); while(qh->qh_Node.ln_Succ) { arb_assert(((LLONG) (qh->qh_ReplaceCount + qh->qh_InsertCount + qh->qh_DeleteCount)) <= 0x1f); // 5 bit arb_assert(((LLONG) round(qh->qh_ErrorCount * 10.0)) <= 0xff); // 8 bit arb_assert(((LLONG) qh->qh_Species->ps_Num) <= 0xfffff); // 20 bit arb_assert(((LLONG) (qh->qh_AbsPos - qh->qh_Species->ps_AbsOffset)) <= 0xfffffff); // 28 bit qh->qh_Node.ln_Pri = (LLONG) ((qh->qh_Flags & QHF_REVERSED) ? (1LL << 62) : 0LL) + ((qh->qh_InsertCount | qh->qh_DeleteCount) ? (1LL << 61) : 0LL) + (((LLONG) (qh->qh_ReplaceCount + qh->qh_InsertCount + qh->qh_DeleteCount)) << 56) + (((LLONG) round(qh->qh_ErrorCount * 10.0)) << 48) + (((LLONG) qh->qh_Species->ps_Num) << 28) + ((LLONG) (qh->qh_AbsPos - qh->qh_Species->ps_AbsOffset)); qh = (struct QueryHit *) qh->qh_Node.ln_Succ; } } else { //printf("Sort with weight...\n"); while(qh->qh_Node.ln_Succ) { arb_assert(((LLONG) (qh->qh_ReplaceCount + qh->qh_InsertCount + qh->qh_DeleteCount)) <= 0x1f); // 5 bit arb_assert(((LLONG) round(qh->qh_ErrorCount * 10.0)) <= 0xff); // 8 bit arb_assert(((LLONG) qh->qh_Species->ps_Num) <= 0xfffff); // 20 bit arb_assert(((LLONG) (qh->qh_AbsPos - qh->qh_Species->ps_AbsOffset)) <= 0xfffffff); // 28 bit qh->qh_Node.ln_Pri = (LLONG) ((LLONG) (qh->qh_Flags & QHF_REVERSED) ? (1LL << 62) : 0LL) + ((LLONG) (qh->qh_InsertCount | qh->qh_DeleteCount) ? (1LL << 61) : 0LL) + (((LLONG) round(qh->qh_ErrorCount * 10.0)) << 53) + (((LLONG) (qh->qh_ReplaceCount + qh->qh_InsertCount + qh->qh_DeleteCount)) << 48) + ((LLONG) qh->qh_Species->ps_Num << 28) + ((LLONG) (qh->qh_AbsPos - qh->qh_Species->ps_AbsOffset)); //printf("%16llx\n", qh->qh_Node.ln_Pri); qh = (struct QueryHit *) qh->qh_Node.ln_Succ; } } SortList(&sq->sq_Hits); #if 0 qh = (struct QueryHit *) sq->sq_Hits.lh_Head; //printf("... and after\n"); while(qh->qh_Node.ln_Succ) { //printf("%16llx\n", qh->qh_Node.ln_Pri); qh = (struct QueryHit *) qh->qh_Node.ln_Succ; } #endif } /* \\\ */ /* /// "CreateHitsGUIList()" */ void CreateHitsGUIList(struct SearchQuery *sq) { struct PTPanGlobal *pg = sq->sq_PTPanGlobal; struct PTPanSpecies *ps; struct QueryHit *qh; STRPTR srcptr; STRPTR tarptr; ULONG maxlen; float minweight; ULONG cnt; ULONG numhits; ULONG tarlen; if (PTPanGlobalPtr->pg_verbose >0) printf(">> CreateHitsGUIList\n"); /* calculate maximum size of string that we have to examine */ minweight = sq->sq_MismatchWeights->mw_Delete[0]; for(cnt = 1; cnt < pg->pg_AlphaSize; cnt++) { if(sq->sq_MismatchWeights->mw_Delete[cnt] < minweight) { minweight = sq->sq_MismatchWeights->mw_Delete[cnt]; } } maxlen = sq->sq_QueryLen + (ULONG) ((sq->sq_MaxErrors + minweight) / minweight); sq->sq_SourceSeq = (STRPTR) malloc(maxlen + 1); numhits = 0; pg->pg_SpeciesCache->ch_SwapCount = 0; qh = (struct QueryHit *) sq->sq_Hits.lh_Head; while(qh->qh_Node.ln_Succ) { LONG relpos; BOOL good; ULONG nmismatch; UBYTE code; UBYTE seqcode; STRPTR seqout; STRPTR seqptr; LONG relposcnt; PT_probematch *ml; good = TRUE; ps = qh->qh_Species; char prefix[10], postfix[10]; for (int i = 0; i < 9; ++i) { prefix[i] = '>'; postfix[i] = '<'; } prefix[9] = postfix[9] = 0x00; relpos = 0; nmismatch = 0; ULONG abspos = qh->qh_AbsPos - ps->ps_AbsOffset; ULONG bitpos = 0; ULONG count; /* given an absolute sequence position, search for the relative one, e.g. abspos 2 on "-----UU-C-C" will yield 8 abspos: 01 2 3 relpos: 0123456789a */ /* if (strcmp(ps->ps_Name, "BclSp114") == 0) { printf("qh_AbsPos: %li\t\tps_AbsOffset: %li\t\tabspos:%li\n", qh->qh_AbsPos, ps->ps_AbsOffset, abspos); while ((code = GetNextCharacter(pg, ps->ps_SeqDataCompressed, bitpos, count)) != 0xff) { if (count > 1) printf("%li%c", count, code); else printf("%c", code); } printf("\n"); bitpos = 0; } */ while (bitpos < ps->ps_SeqDataCompressedSize) // get relpos and store prefix { code = GetNextCharacter(pg, ps->ps_SeqDataCompressed, bitpos, count); if (pg->pg_SeqCodeValidTable[code]) { // it's a valid char if (!(abspos--)) break; // position found if (abspos <= 8) prefix[8-abspos] = code; // store prefix ++relpos; } else { // it's not a valid char arb_assert((code == '.') || (code == '-')); #ifdef ALLOWDOTSINMATCH if ((code == '.') && (count == 1)) // check for dots in match { if (!(abspos--)) break; // position found if (abspos <= 8) prefix[8-abspos] = code; // store prefix } #endif relpos += count; if ((code == '.') && (abspos <= 9)) // fill prefix with '.' { // TODO: decide if we really want to fill the for (int i = 0; i < (9 - abspos); ++i) // whole prefix or just 'count' dots { prefix[i] = '.'; } } } } arb_assert(bitpos < ps->ps_SeqDataCompressedSize); bitpos -= 3; // bitpos now points to the first character of found seq //printf("%c, %li, %li, %li\n", code, ((unsigned long)code), count, bitpos); tarlen = sq->sq_QueryLen - qh->qh_DeleteCount + qh->qh_InsertCount; for (cnt = 0; cnt < tarlen;) // copy found string into sq->sq_SourceSeq[] { if (bitpos >= ps->ps_SeqDataCompressedSize) { arb_assert(false); good = FALSE; break; } code = GetNextCharacter(pg, ps->ps_SeqDataCompressed, bitpos, count); if (pg->pg_SeqCodeValidTable[code]) // valid character { sq->sq_SourceSeq[cnt++] = code; if (code == 'N') nmismatch++; } else { if (code == '.') // if we got a dot in sequence { // the hit is bogus #ifdef ALLOWDOTSINMATCH if (count == 1) { sq->sq_SourceSeq[cnt++] = '.'; } else #endif { pg->pg_Bench.ts_DotsKilled++; good = FALSE; break; } } } } sq->sq_SourceSeq[tarlen] = 0; if(nmismatch == tarlen) good = FALSE; if(good) { /* we need to verify the hit? */ if(qh->qh_Flags & QHF_UNSAFE) { pg->pg_Bench.ts_UnsafeHits++; good = MatchSequence(sq); if(!good) { pg->pg_Bench.ts_UnsafeKilled++; //printf("Verify failed on %s != %s\n", sq->sq_SourceSeq, sq->sq_Query); qh->qh_Flags &= ~QHF_ISVALID; } else { /* fill in correct match */ qh->qh_ErrorCount = sq->sq_State.sqs_ErrorCount; qh->qh_ReplaceCount = sq->sq_State.sqs_ReplaceCount; qh->qh_InsertCount = sq->sq_State.sqs_InsertCount; qh->qh_DeleteCount = sq->sq_State.sqs_DeleteCount; } //qh->qh_Flags &= ~QHF_UNSAFE; } } //else printf("'.'-Sequence!\n"); if(good) { seqout = (STRPTR) calloc(9 + 1 + sq->sq_QueryLen + 1 + 9 + 1, 0x01); strncpy(seqout, prefix, 0x09); // copy prefix seqout[9] = '-'; // 1st delimiter good = FindSequenceMatch(sq, qh, &seqout[10]); // generate mismatch sequence */ seqout[10 + sq->sq_QueryLen] = '-'; // 2nd delimiter if (!good) free(seqout); } if (good) { for (cnt = 0; cnt < 9;) // generate postfix { code = GetNextCharacter(pg, ps->ps_SeqDataCompressed, bitpos, count); if (code == 0xff) break; if (pg->pg_SeqCodeValidTable[code]) // valid character { postfix[cnt++] = code; } else if (code == '.') // '.' found { for (; cnt < 9; ++cnt) // fill postfix with '.' { // TODO: decide if we really want to fill the postfix[cnt] = '.'; // whole postfix or just 'count' dots } } } strncpy(&seqout[11 + sq->sq_QueryLen], postfix, 0x09); // copy postfix ml = create_PT_probematch(); ml->name = qh->qh_Species->ps_Num; ml->b_pos = relpos; ml->rpos = qh->qh_AbsPos - ps->ps_AbsOffset; ml->wmismatches = (double) qh->qh_ErrorCount; ml->mismatches = qh->qh_ReplaceCount + qh->qh_InsertCount + qh->qh_DeleteCount; ml->N_mismatches = nmismatch; ml->sequence = seqout; /* warning! potentional memory leak -- FIX destroy_PT_probematch(ml) */ ml->reversed = (qh->qh_Flags & QHF_REVERSED) ? 1 : 0; aisc_link((struct_dllpublic_ext *) &(pg->pg_SearchPrefs->ppm), (struct_dllheader_ext *) ml); numhits++; if (PTPanGlobalPtr->pg_verbose >0) printf("SeqOut: '%s'\n", seqout); } RemQueryHit(qh); qh = (struct QueryHit *) sq->sq_Hits.lh_Head; } // while(qh->qh_Node.ln_Succ) free(sq->sq_SourceSeq); if (PTPanGlobalPtr->pg_verbose >0) { pg->pg_Bench.ts_OutHits += numhits; printf("<< CreateHitsGUIList: Number of hits %ld (SwapCount %ld)\n", numhits, pg->pg_SpeciesCache->ch_SwapCount); } } /* \\\ */ /* /// "get_match_info()" */ extern "C" STRPTR get_match_info(PT_probematch *ml) { struct PTPanGlobal *pg = PTPanGlobalPtr; struct PTPanSpecies *ps; ULONG ecolipos = 0; /* calculate ecoli position in O(1) */ if(pg->pg_EcoliBaseTable) { if((ULONG) ml->b_pos < pg->pg_EcoliSeqSize) { ecolipos = pg->pg_EcoliBaseTable[ml->b_pos]; } else { ecolipos = pg->pg_EcoliBaseTable[pg->pg_EcoliSeqSize]; } } ps = pg->pg_SpeciesMap[ml->name]; sprintf(pg->pg_TempBuffer, "%10s %-30.30s %2d %2d %1.1f %7d %4ld %1d %s", ps->ps_Name, ps->ps_FullName, ml->mismatches, ml->N_mismatches, ml->wmismatches, ml->b_pos, ecolipos, ml->reversed, ml->sequence); if (PTPanGlobalPtr->pg_verbose >0) printf("== get_match_info: %s\n", pg->pg_TempBuffer); return(pg->pg_TempBuffer); } /* \\\ */ /* /// "GetMatchListHeader()" */ STRPTR GetMatchListHeader(STRPTR seq) { STRPTR res; if(seq) { res = (STRPTR) GBS_global_string(" name fullname " "mis N_mis wmis pos ecoli rev '%s'", seq); } else { res = (STRPTR) " name fullname " "mis N_mis wmis pos ecoli rev"; } if (PTPanGlobalPtr->pg_verbose >0) printf("== GetMatchListHeader: %s\n", res); return(res); } /* \\\ */ /* /// "get_match_hinfo()" */ extern "C" STRPTR get_match_hinfo(PT_probematch *) { return(GetMatchListHeader(NULL)); } /* \\\ */ /* /// "c_get_match_hinfo()" */ extern "C" STRPTR c_get_match_hinfo(PT_probematch *) { printf("EXTERN: c_get_match_hinfo\n"); return(GetMatchListHeader(NULL)); } /* \\\ */ /* /// "match_string()" */ /* Create a big output string: header\001name\001info\001name\001info....\000 */ extern "C" bytestring * match_string(PT_local *locs) { struct PTPanGlobal *pg = PTPanGlobalPtr; struct GBS_strstruct *outstr; PT_probematch *ml; STRPTR srcptr; LONG entryCount = 0; printf("EXTERN: match_string\n"); free(pg->pg_ResultString.data); // free old memory for(ml = locs->pm; ml; ml = ml->next) // count number of entries ++entryCount; outstr = GBS_stropen(entryCount * 150); // 150 bytes per entry seemes to be a good estimation if(locs->pm) // add header { srcptr = GetMatchListHeader(locs->pm->reversed ? locs->pm_csequence : locs->pm_sequence); GBS_strcat(outstr, srcptr); GBS_chrcat(outstr, 1); } for(ml = locs->pm; ml; ml = ml->next) // add each entry to the list { srcptr = virt_name(ml); // add the name GBS_strcat(outstr, srcptr); GBS_chrcat(outstr, 1); srcptr = get_match_info(ml); // and the info GBS_strcat(outstr, srcptr); GBS_chrcat(outstr, 1); } pg->pg_ResultString.data = GBS_strclose(outstr); pg->pg_ResultString.size = strlen(pg->pg_ResultString.data) + 1; if (PTPanGlobalPtr->pg_verbose >0) printf("== match_string: %s\n", pg->pg_ResultString.data); #ifdef DEBUG printf("%li entries used %li bytes (%li MB) of buffer: %5.2f byte per entry\n", entryCount, pg->pg_ResultString.size, pg->pg_ResultString.size >> 20, (double)pg->pg_ResultString.size/(double)entryCount); #endif return(&pg->pg_ResultString); } /* \\\ */ /* /// "MP_match_string()" */ /* Create a big output string: header\001name\001#mismatch\001name\001#mismatch....\000 */ extern "C" bytestring * MP_match_string(PT_local *locs) { struct PTPanGlobal *pg = PTPanGlobalPtr; PT_probematch *ml; STRPTR outptr; STRPTR srcptr; LONG buflen = 100000000; // TODO: calculate buflen instead of using hard coded value printf("EXTERN: MP_match_string\n"); /* free old memory */ free(pg->pg_ResultMString.data); outptr = (STRPTR) malloc(buflen); pg->pg_ResultMString.data = outptr; buflen--; /* space for termination byte */ LONG entryCount = 0; /* add each entry to the list */ for(ml = locs->pm; ml; ml = ml->next) { ++entryCount; /* add the name */ srcptr = virt_name(ml); while((--buflen > 0) && (*outptr++ = *srcptr++)); if(buflen <= 0) { printf("ERROR: buffer too small - see function MP_match_string(...) in file PT_match.cxx\n"); break; } outptr[-1] = 1; /* and and the mismatch and wmismatch count */ sprintf(pg->pg_TempBuffer, "%2d\001%1.1f", ml->mismatches, ml->wmismatches); srcptr = pg->pg_TempBuffer; while((--buflen > 0) && (*outptr++ = *srcptr++)); if(buflen <= 0) { printf("ERROR: buffer too small - see function MP_match_string(...) in file PT_match.cxx\n"); break; } outptr[-1] = 1; } /* terminate string */ *outptr++ = 0; pg->pg_ResultMString.size = (ULONG) outptr - (ULONG) pg->pg_ResultMString.data; /* free unused memory */ pg->pg_ResultMString.data = (STRPTR) realloc(pg->pg_ResultMString.data, pg->pg_ResultMString.size); if (PTPanGlobalPtr->pg_verbose >0) printf("== MP_match_string: %s\n", pg->pg_ResultString.data); printf("%li entries used %li bytes (%li MB) of buffer: %5.2f byte per entry\n", entryCount, (100000000-buflen), (100000000-buflen) >> 20, (double)(100000000-buflen)/(double)entryCount); return(&pg->pg_ResultMString); } /* \\\ */ /* /// "MP_all_species_string()" */ /* Create a big output string: 001name\001name\....\000 */ extern "C" bytestring * MP_all_species_string(PT_local *) { struct PTPanGlobal *pg = PTPanGlobalPtr; struct PTPanSpecies *ps; STRPTR outptr; STRPTR srcptr; // LONG buflen = 500000; /* enough for about 50000 species */ LONG buflen = 100000000; // TODO: calculate buflen instead of using hard coded value printf("EXTERN: MP_all_species_string\n"); /* free old memory */ free(pg->pg_SpeciesString.data); outptr = (STRPTR) malloc(buflen); pg->pg_SpeciesString.data = outptr; buflen--; /* space for termination byte */ LONG entryCount = 0; /* add each entry to the list */ ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while(ps->ps_Node.ln_Succ) { ++entryCount; /* add the name */ srcptr = ps->ps_Name; while((--buflen > 0) && (*outptr++ = *srcptr++)); if(buflen <= 0) { printf("ERROR: buffer too small - see function MP_all_species_string(...) in file PT_match.cxx\n"); break; } outptr[-1] = 1; ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; } /* terminate string */ *outptr++ = 0; pg->pg_SpeciesString.size = (ULONG) outptr - (ULONG) pg->pg_SpeciesString.data; /* free unused memory */ pg->pg_SpeciesString.data = (STRPTR) realloc(pg->pg_SpeciesString.data, pg->pg_SpeciesString.size); printf("%li entries used %li bytes (%li MB) of buffer: %5.2f byte per entry\n", entryCount, (100000000-buflen), (100000000-buflen) >> 20, (double)(100000000-buflen)/(double)entryCount); return(&pg->pg_SpeciesString); } /* \\\ */ /* /// "MP_count_all_species()" */ extern "C" int MP_count_all_species(PT_local *) { struct PTPanGlobal *pg = PTPanGlobalPtr; printf("EXTERN: MP_count_all_species\n"); return(pg->pg_NumSpecies); } /* \\\ */ ./arbsrc_9167/ptpan/PTP_new_design.cxx0000644012664100000130000007360511213220012017645 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include "ptpan.h" #include #include "pt_prototypes.h" extern "C" int pt_init_bond_matrix(PT_pdc *THIS) { THIS->bond[0].val = 0.0; THIS->bond[1].val = 0.0; THIS->bond[2].val = 0.5; THIS->bond[3].val = 1.1; THIS->bond[4].val = 0.0; THIS->bond[5].val = 0.0; THIS->bond[6].val = 1.5; THIS->bond[7].val = 0.0; THIS->bond[8].val = 0.5; THIS->bond[9].val = 1.5; THIS->bond[10].val = 0.4; THIS->bond[11].val = 0.9; THIS->bond[12].val = 1.1; THIS->bond[13].val = 0.0; THIS->bond[14].val = 0.9; THIS->bond[15].val = 0.0; return 0; } extern "C" char *get_design_info(PT_tprobes *tprobe) { struct PTPanGlobal *pg = PTPanGlobalPtr; STRPTR buffer = (STRPTR) GB_give_buffer(2000); UWORD posgroup = 0; char possep = '='; LONG alignpos = tprobe->apos; LONG cnt; ULONG sum; PT_pdc *pdc = (PT_pdc *) tprobe->mh.parent->parent; STRPTR outptr = buffer; STRPTR srcptr; printf("EXTERN: get_design_info\n"); /* find variable that is closest to the hit */ for (posgroup=0; posgroup < 26; ++posgroup) { LONG dist; /* see, if this group has been defined yet */ if (! (pdc->pos_groups[posgroup])) { pdc->pos_groups[posgroup] = tprobe->apos; break; } dist = tprobe->apos - pdc->pos_groups[posgroup]; if ((dist >= 0) && (dist < pdc->probelen)) { alignpos = dist; possep = '+'; break; } if ((dist < 0) && (dist > -pdc->probelen)) { alignpos = -dist; possep = '-'; break; } } /* generate output */ sprintf(buffer, "%s %2ld %c%c%4ld %4ld %4ld %4.1f %5.1f |", tprobe->sequence, (ULONG) tprobe->seq_len, 'A'+posgroup, possep, alignpos, (ULONG) 0, // ecoli (ULONG) tprobe->groupsize, 0.0, // gc content tprobe->temp); outptr += strlen(buffer); sum = 0; for (cnt = 0; cnt < PERC_SIZE; ++cnt) { sum += tprobe->perc[cnt]; sprintf(outptr, "%2ld;", sum); outptr += strlen(outptr); } *outptr++ = ' '; srcptr = &tprobe->sequence[tprobe->seq_len]; for (cnt = 0; cnt < tprobe->seq_len; cnt++) { *outptr++ = pg->pg_DecompressTable[pg->pg_ComplementTable[pg->pg_CompressTable[*--srcptr]]]; } *outptr = 0; return buffer; } extern "C" char *get_design_hinfo(PT_tprobes *tprobe) { STRPTR buffer = (STRPTR) GB_give_buffer(2000); STRPTR outptr = buffer; LONG cnt; STRPTR srcptr; PT_pdc *pdc; printf("EXTERN: get_design_hinfo\n"); if (! tprobe) { return ((STRPTR) "Sorry, there are no probes for your selection!!!"); } pdc = (PT_pdc *) tprobe->mh.parent->parent; sprintf(buffer, "Probe design Parameters:\n" "Length of probe %4i\n" "Temperature [%4.1f -%4.1f ]\n" "GC-Content [%4.1f%%-%4.1f%%]\n" "E.Coli Position [%4i -%4i]\n" "Max Non Group Hits %4i\n" "Min Group Hits %4.0f%%\n", pdc->probelen, pdc->mintemp,pdc->maxtemp, pdc->min_gc*100.0, pdc->max_gc*100.0, pdc->minpos, pdc->maxpos, pdc->mishit, pdc->mintarget*100.0); outptr += strlen(buffer); srcptr = (STRPTR) "Target"; for (cnt = 0; cnt < pdc->probelen + 1; cnt++) { if (*srcptr) { *outptr++ = *srcptr++; } else { *outptr++ = ' '; } } srcptr = (STRPTR) "le apos ecol grps G+C 4GC+2AT |"; while (*srcptr) { *outptr++ = *srcptr++; } srcptr = (STRPTR) "Increase err by n*0.2 -> probe matches n non group species"; for (cnt = 0; cnt < PERC_SIZE*3; cnt++) { if (*srcptr) { *outptr++ = *srcptr++; } else { *outptr++ = ' '; } } srcptr = (STRPTR) "Probe sequence"; while (*srcptr) { *outptr++ = *srcptr++; } *outptr = 0; return buffer; } /* /// "MarkSpeciesGroup()" */ ULONG MarkSpeciesGroup(struct PTPanGlobal *pg, STRPTR specnames) { struct PTPanSpecies *ps; STRPTR namestart = specnames; UBYTE namechr; ULONG specnum; ULONG markcount = 0; /* clear all species marks */ ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while (ps->ps_Node.ln_Succ) { ps->ps_IsGroup = FALSE; ps->ps_SerialTouch = 0; ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; } if (! *specnames) { return(0); /* string was empty! */ } printf("Specnames %s\n", specnames); do { namechr = *specnames; /* if we encounter a hash or a nullbyte, we're at the end of a species string */ if ((namechr == '#') || (!namechr)) { if (namestart < specnames) /* don't try to find an empty string */ { /* temporarily terminate the string */ *specnames = 0; specnum = GBS_read_hash(pg->pg_SpeciesNameHash, namestart); if (specnum) { pg->pg_SpeciesMap[specnum-1]->ps_IsGroup = TRUE; markcount++; } else { printf("Couldn't find %s to mark\n", namestart); } /* restore character */ *specnames++ = namechr; namestart = specnames; } else { namestart = ++specnames; } } else { specnames++; } } while (namechr); printf("Markcount %ld\n", markcount); return markcount; } /* \\\ */ /* /// "AllocDesignQuery()" */ struct DesignQuery * AllocDesignQuery(struct PTPanGlobal *pg) { struct DesignQuery *dq; dq = (struct DesignQuery *) calloc(sizeof(struct DesignQuery), 1); if (! dq) { return NULL; } dq->dq_Serial = 1; NewList(&dq->dq_Hits); dq->dq_PTPanGlobal = pg; return dq; } /* \\\ */ /* /// "FreeDesignQuery()" */ void FreeDesignQuery(struct DesignQuery *dq) { struct DesignHit *dh; free(dq->dq_TempHit.dh_Matches); // free temp memory dh = (struct DesignHit *) dq->dq_Hits.lh_Head; // free hits while (dh->dh_Node.ln_Succ) { RemDesignHit(dh); dh = (struct DesignHit *) dq->dq_Hits.lh_Head; } free(dq); // free structure itself } /* \\\ */ /* /// "AddDesignHit()" */ struct DesignHit * AddDesignHit(struct DesignQuery *dq) { struct PTPanGlobal *pg = dq->dq_PTPanGlobal; struct PTPanPartition *pp = dq->dq_PTPanPartition; struct PTPanSpecies *ps; struct DesignHit *dh = &dq->dq_TempHit; ULONG cnt; BOOL take = TRUE; BOOL done; UBYTE seqcode; struct HitTuple *ht; ULONG *leafptr; struct TreeNode *tn = dq->dq_TreeNode; struct TreeNode *parenttn; dh->dh_GroupHits = 0; // init some more stuff dh->dh_NonGroupHits = 0; dh->dh_Hairpin = 0; dh->dh_NumMatches = 0; /* now iterate through the lower parts of the tree, collecting all leaf nodes */ seqcode = SEQCODE_N; done = FALSE; do { while (seqcode < pg->pg_AlphaSize) { //printf("Seqcode %d %ld\n", seqcode, tn->tn_Children[seqcode]); if (tn->tn_Children[seqcode]) { /* there is a child, go down */ tn = GoDownNodeChildNoEdge(tn, seqcode); seqcode = SEQCODE_N; //printf("Down %d %08lx\n", seqcode, tn); } else seqcode++; } while (seqcode == pg->pg_AlphaSize) // we didn't find any children { /* when going up, collect any leafs */ if (tn->tn_NumLeaves) { cnt = tn->tn_NumLeaves; /* check, if enough memory is left */ if (dh->dh_NumMatches + cnt >= dq->dq_TempMemSize) { dq->dq_TempMemSize = (dh->dh_NumMatches + cnt) << 1; dh->dh_Matches = (struct HitTuple *) realloc(dh->dh_Matches, dq->dq_TempMemSize * sizeof(struct HitTuple)); } ht = &dh->dh_Matches[dh->dh_NumMatches]; dh->dh_NumMatches += cnt; /* enter leaves */ leafptr = tn->tn_Leaves; do { //printf("%ld: %ld\n", cnt, *leafptr); ht->ht_AbsPos = pp->pp_RawOffset + (ULLONG) *leafptr++; ht->ht_Species = NULL; ht++; } while (--cnt); /* if we got more matches than the sum of marked and nongroup hits, it's very probable that we have exceeded non group hits, so check */ if (dh->dh_NumMatches > dq->dq_MarkedSpecies + dq->dq_MaxNonGroupHits) { dh->dh_NonGroupHits = 0; ht = dh->dh_Matches; cnt = dh->dh_NumMatches; /* increase serial number so we can find unique matches */ dq->dq_Serial++; do { if (! (ps = ht->ht_Species)) { ps = ht->ht_Species = (struct PTPanSpecies *) FindBinTreeLowerKey(pg->pg_SpeciesBinTree, ht->ht_AbsPos); } /* check, if hit is really within sequence */ if (ht->ht_AbsPos + dq->dq_ProbeLength < ps->ps_AbsOffset + ps->ps_RawDataSize) { /* check, if this species has been visited right now */ if (ps->ps_SerialTouch != dq->dq_Serial) { ps->ps_SerialTouch = dq->dq_Serial; if (! ps->ps_IsGroup) { /* check if we are over the limit */ if (++dh->dh_NonGroupHits > dq->dq_MaxNonGroupHits) { /* printf("NonGroupHits exceeded! Species: %s abspos: %lu, relpos: %lu\n", ps->ps_Name, ht->ht_AbsPos, ht->ht_AbsPos - ps->ps_AbsOffset);*/ take = FALSE; done = TRUE; break; } } } else { //printf("Duplicate hit in %s (%ld)\n", ht->ht_Species->ps_Name, ht->ht_AbsPos); } } else { /*printf("Hit crosses boundary %ld > %ld \n", ht->ht_AbsPos + dq->dq_ProbeLength, ps->ps_AbsOffset + ps->ps_RawDataSize);*/ } ht++; } while (--cnt); } } if (tn == dq->dq_TreeNode) { /* we're back at the top level where we started -- stop collecting */ done = TRUE; break; } /* go up again */ //printf("Up\n"); parenttn = tn->tn_Parent; seqcode = tn->tn_ParentSeq + 1; freeset(tn, parenttn); } } while (! done); /* if the number of hits is smaller than the minimum number of group hits, we don't need to verify, as the equation won't hold. */ if (dh->dh_NumMatches < dq->dq_MinGroupHits) { // printf("NumMatches %ld < MinGroupHits %ld\n", // dh->dh_NumMatches, dq->dq_MinGroupHits); take = FALSE; } /* verify non group hits and group hits limitations */ if (take) { dh->dh_NonGroupHits = 0; dh->dh_GroupHits = 0; ht = dh->dh_Matches; cnt = dh->dh_NumMatches; /* increase serial number so we can find unique matches */ dq->dq_Serial++; do { if (! (ps = ht->ht_Species)) { ps = ht->ht_Species = (struct PTPanSpecies *) FindBinTreeLowerKey(pg->pg_SpeciesBinTree, ht->ht_AbsPos); } //printf("%ld: %s %ld\n", cnt, ht->ht_Species->ps_Name, ht->ht_AbsPos); /* check, if hit is really within sequence */ if (ht->ht_AbsPos + dq->dq_ProbeLength < ps->ps_AbsOffset + ps->ps_RawDataSize) { /* check, if this species has been visited right now */ if (ps->ps_SerialTouch != dq->dq_Serial) { ht->ht_Species->ps_SerialTouch = dq->dq_Serial; if (ht->ht_Species->ps_IsGroup) { dh->dh_GroupHits++; } else { /* check if we are over the limit */ if (++dh->dh_NonGroupHits > dq->dq_MaxNonGroupHits) { /* printf("NonGroupHits exceeded (2)! Species: %s abspos: %lu, relpos: %lu\n", ps->ps_Name, ht->ht_AbsPos, ht->ht_AbsPos - ps->ps_AbsOffset);*/ take = FALSE; break; } } } else { //printf("Duplicate hit (2) in %s (%ld)\n", ht->ht_Species->ps_Name, ht->ht_AbsPos); } } else { /*printf("Hit crosses boundary %ld > %ld \n", ht->ht_AbsPos + dq->dq_ProbeLength, ps->ps_AbsOffset + ps->ps_RawDataSize);*/ } ht++; } while (--cnt); if (dh->dh_GroupHits < dq->dq_MinGroupHits) { /*printf("grouphits %ld < MinGroupHits %ld\n", dh->dh_GroupHits, dq->dq_MinGroupHits);*/ take = FALSE; } } if (take) { struct DesignHit *olddh = dh; dh = (struct DesignHit *) calloc(1, sizeof(struct DesignHit)); if (! dh) { return NULL; // out of memory } //dh->dh_ProbeLength = dq->dq_ProbeLength; dh->dh_ProbeSeq = (STRPTR) malloc(dq->dq_ProbeLength + 1); GetTreePath(tn, dh->dh_ProbeSeq, dq->dq_ProbeLength); dh->dh_Temp = 0.0; // calculate temperature dh->dh_GCContent = 0; // and GC content for (cnt = 0; cnt < dq->dq_ProbeLength; cnt++) { switch(pg->pg_CompressTable[dh->dh_ProbeSeq[cnt]]) { case SEQCODE_C: case SEQCODE_G: dh->dh_Temp += 4.0; dh->dh_GCContent++; break; case SEQCODE_A: case SEQCODE_T: dh->dh_Temp += 2.0; break; default: take = FALSE; // ignore this probe -- it contains N sequences! cnt = dq->dq_ProbeLength; // abort break; } } if ((dh->dh_Temp < dq->dq_MinTemp - EPSILON) || (dh->dh_Temp > dq->dq_MaxTemp + EPSILON)) { take = FALSE; // temperature was out of given range } if((dh->dh_GCContent < dq->dq_MinGC) || (dh->dh_GCContent > dq->dq_MaxGC)) { take = FALSE; // gc content was out of given range } if(!(dh->dh_Matches = (struct HitTuple *) malloc(olddh->dh_NumMatches * sizeof(struct HitTuple)))) { take = FALSE; // out of memory } if (! take) // aport if not to be taken { free(dh->dh_ProbeSeq); free(dh); printf("Huh?\n"); return(NULL); } dh->dh_GroupHits = olddh->dh_GroupHits; // copy information into hit dh->dh_NonGroupHits = olddh->dh_NonGroupHits; dh->dh_NumMatches = olddh->dh_NumMatches; memcpy(dh->dh_Matches, olddh->dh_Matches, dh->dh_NumMatches * sizeof(struct HitTuple)); printf("GOOD PROBE %s! (GroupHits=%ld, NonGroupHits=%ld)\n", dh->dh_ProbeSeq, dh->dh_GroupHits, dh->dh_NonGroupHits); #if 0 /* debug */ ht = dh->dh_Matches; cnt = dh->dh_NumMatches; do { printf("%ld: %s %ld\n", cnt, ht->ht_Species->ps_Name, ht->ht_AbsPos); ht++; } while (--cnt); #endif dq->dq_NumHits++; AddTail(&dq->dq_Hits, &dh->dh_Node); return dh; } else { return NULL; } } /* \\\ */ /* /// "RemDesignHit()" */ void RemDesignHit(struct DesignHit *dh) { Remove(&dh->dh_Node); // unlink and free node free(dh->dh_ProbeSeq); free(dh->dh_Matches); free(dh); } /* \\\ */ /* /// "CalcProbeQuality()" */ void CalcProbeQuality(struct DesignQuery *dq) { struct SearchQuery *sq; struct DesignHit *dh; struct PTPanGlobal *pg = dq->dq_PTPanGlobal; struct PTPanPartition *pp; struct QueryHit *qh; printf("Calc Probe Quality\n"); dh = (struct DesignHit *) dq->dq_Hits.lh_Head; while (dh->dh_Node.ln_Succ) { /* allocate query that configures and holds all the merged results */ if (! (sq = AllocSearchQuery(pg))) { return; } dh->dh_SearchQuery = sq; /* prefs */ sq->sq_Query = dh->dh_ProbeSeq; sq->sq_QueryLen = strlen(sq->sq_Query); sq->sq_MaxErrors = (float) PERC_SIZE * PROBE_MISM_DEC; sq->sq_Reversed = FALSE; sq->sq_AllowReplace = TRUE; sq->sq_AllowInsert = FALSE; sq->sq_AllowDelete = FALSE; sq->sq_KillNSeqsAt = dq->dq_ProbeLength / 3; sq->sq_SortMode = SORT_HITS_WEIGHTED; /* init */ // TODO: add PP_convertBondMatrix ? PP_buildPosWeight(sq); sq->sq_MismatchWeights = &sq->sq_PTPanGlobal->pg_MismatchWeights; dh = (struct DesignHit *) dh->dh_Node.ln_Succ; } printf("Cached parts\n"); /* search over partitions that are still in cache */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while (pp->pp_Node.ln_Succ) { pp->pp_Done = FALSE; if (CacheDataLoaded(pp->pp_CacheNode)) { dh = (struct DesignHit *) dq->dq_Hits.lh_Head; while (dh->dh_Node.ln_Succ) { /* search normal */ SearchPartition(pp, dh->dh_SearchQuery); dh = (struct DesignHit *) dh->dh_Node.ln_Succ; } } pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } printf("Uncached parts\n"); /* search over all partitions not done yet */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while (pp->pp_Node.ln_Succ) { if (! pp->pp_Done) { dh = (struct DesignHit *) dq->dq_Hits.lh_Head; while (dh->dh_Node.ln_Succ) { /* search normal */ SearchPartition(pp, dh->dh_SearchQuery); dh = (struct DesignHit *) dh->dh_Node.ln_Succ; } } pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } printf("Examine...\n"); /* now examine the results */ dh = (struct DesignHit *) dq->dq_Hits.lh_Head; while (dh->dh_Node.ln_Succ) { ULONG hitpos; ULONG sum; /* check all hits */ qh = (struct QueryHit *) dh->dh_SearchQuery->sq_Hits.lh_Head; while (qh->qh_Node.ln_Succ) { /* is this a non group hit? */ /*printf("Hit %ld (%f), Group %s\n", qh->qh_AbsPos, qh->qh_ErrorCount, qh->qh_Species->ps_IsGroup ? "yes" : "no");*/ if ( !qh->qh_Species->ps_IsGroup) { hitpos = (ULONG) (qh->qh_ErrorCount * (1.0 / PROBE_MISM_DEC)); if (hitpos < PERC_SIZE) { dh->dh_NonGroupHitsPerc[hitpos]++; } } qh = (struct QueryHit *) qh->qh_Node.ln_Succ; } printf("Probe %s ", dh->dh_ProbeSeq); sum = 0; for (hitpos = 0; hitpos < PERC_SIZE; hitpos++) { sum += dh->dh_NonGroupHitsPerc[hitpos]; printf("%ld ", sum); } printf("\n"); { UWORD cnt; PT_tprobes *tprobe; /* fill legacy structure */ tprobe = create_PT_tprobes(); tprobe->sequence = strdup(dh->dh_ProbeSeq); tprobe->seq_len = dq->dq_ProbeLength; tprobe->temp = dh->dh_Temp; tprobe->groupsize = dh->dh_GroupHits; tprobe->mishit = dh->dh_NonGroupHits; for (cnt = 0; cnt < PERC_SIZE; cnt++) { tprobe->perc[cnt] = dh->dh_NonGroupHitsPerc[cnt]; } aisc_link((struct_dllpublic_ext *) &(dq->dq_PDC->ptprobes), (struct_dllheader_ext *) tprobe); } dh = (struct DesignHit *) dh->dh_Node.ln_Succ; } } /* \\\ */ /* /// "FindProbeInPartition()" */ BOOL FindProbeInPartition(struct DesignQuery *dq) { struct PTPanGlobal *pg = dq->dq_PTPanGlobal; struct PTPanPartition *pp = dq->dq_PTPanPartition; struct TreeNode *tn; struct TreeNode *parenttn; BOOL done; ULONG cnt; UWORD seqcode; ULONG len; double currtemp = 0.0; UWORD currgc = 0; STRPTR edgeptr; BOOL abortpath; ULONG pathleft; BOOL nohits = TRUE; //char buf[100]; if (! (pp->pp_CacheNode = CacheLoadData(pg->pg_PartitionCache, pp->pp_CacheNode, pp))) { printf("That's it, I'm outta here!\n"); return FALSE; // something went wrong while loading } tn = ReadPackedNode(pp, 0); // get root node /* collect all the strings that are on our way */ done = FALSE; seqcode = SEQCODE_A; len = (dq->dq_ProbeLength < pp->pp_TreePruneLength) ? dq->dq_ProbeLength : pp->pp_TreePruneLength; do { //printf("Cnt: %ld\n", cnt); /* go down! */ while (tn->tn_TreeOffset < len) { while (seqcode < pg->pg_AlphaSize) { //printf("Seqcode %d %ld\n", seqcode, tn->tn_Children[seqcode]); if (tn->tn_Children[seqcode]) { /* there is a child, go down */ tn = GoDownNodeChild(tn, seqcode); abortpath = FALSE; /* do some early checks */ edgeptr = tn->tn_Edge; if (tn->tn_TreeOffset < dq->dq_ProbeLength) { pathleft = dq->dq_ProbeLength - tn->tn_TreeOffset; cnt = 0; } else { cnt = tn->tn_TreeOffset - tn->tn_EdgeLen; pathleft = 0; } while (*edgeptr && (cnt++ < dq->dq_ProbeLength)) { switch(pg->pg_CompressTable[*edgeptr++]) { case SEQCODE_C: case SEQCODE_G: currtemp += 4.0; currgc++; break; case SEQCODE_A: case SEQCODE_T: currtemp += 2.0; break; default: //printf("N seq\n"); abortpath = TRUE; break; } } if ((currtemp > dq->dq_MaxTemp + EPSILON) || // check temperature out of range (currtemp + (4.0 * pathleft) < dq->dq_MinTemp - EPSILON)) { /*printf("temp %f <= [%f] <= %f out of range!\n", dq->dq_MinTemp, currtemp, dq->dq_MaxTemp);*/ abortpath = TRUE; } if ((currgc > dq->dq_MaxGC) || // check gc content (currgc + pathleft < dq->dq_MinGC)) { /*printf("gc content %ld <= [%ld] <= %ld out of range!\n", dq->dq_MinGC, currgc, dq->dq_MaxGC);*/ abortpath = TRUE; } if (abortpath) // abort path processing here { //GetTreePath(tn, buf, 24); //printf("Path aborted: %s\n", buf); seqcode = pg->pg_AlphaSize; break; } //printf("Down %d %08lx\n", seqcode, tn); seqcode = SEQCODE_A; break; } seqcode++; } while(seqcode == pg->pg_AlphaSize) // we didn't find any children { /* go up again */ //printf("Up\n"); /* undo temperature and GC */ edgeptr = tn->tn_Edge; cnt = tn->tn_TreeOffset - tn->tn_EdgeLen; while (*edgeptr && (cnt++ < dq->dq_ProbeLength)) { switch (pg->pg_CompressTable[*edgeptr++]) { case SEQCODE_C: case SEQCODE_G: currtemp -= 4.0; currgc--; break; case SEQCODE_A: case SEQCODE_T: currtemp -= 2.0; break; } } parenttn = tn->tn_Parent; seqcode = tn->tn_ParentSeq + 1; freeset(tn, parenttn); if (! tn) { /* we're done with this partition */ done = TRUE; break; /* we're done! */ } } if (done) { break; } } if (done) { break; } nohits = FALSE; /* now examine subtree for valid hits */ dq->dq_TreeNode = tn; if (AddDesignHit(dq)) { //GetTreePath(tn, buf, dq->dq_ProbeLength); //printf("Foo: %s\n", buf); } /* undo temperature and GC */ edgeptr = tn->tn_Edge; cnt = tn->tn_TreeOffset - tn->tn_EdgeLen; while (*edgeptr && (cnt++ < dq->dq_ProbeLength)) { switch (pg->pg_CompressTable[*edgeptr++]) { case SEQCODE_C: case SEQCODE_G: currtemp -= 4.0; currgc--; break; case SEQCODE_A: case SEQCODE_T: currtemp -= 2.0; break; } } parenttn = tn->tn_Parent; seqcode = tn->tn_ParentSeq + 1; freeset(tn, parenttn); } while (TRUE); if (nohits) { printf("Warning: Temperature and GC content limitations already outrule any potential hits!\n"); } return TRUE; } /* \\\ */ /* /// "PT_start_design()" */ extern "C" int PT_start_design(PT_pdc *pdc, int) { /* I really don't want to know what's behind this: */ PT_local *locs = (PT_local *) pdc->mh.parent->parent; struct PTPanGlobal *pg = PTPanGlobalPtr; struct PTPanPartition *pp; struct DesignQuery *dq; printf("EXTERN: PT_start_design\n"); /* allocate and fill design query data structure */ dq = AllocDesignQuery(pg); if (! dq) { printf("Couldn't allocate design query!\n"); return 0; } dq->dq_PDC = pdc; /* mark species that should be in the group */ dq->dq_MarkedSpecies = MarkSpeciesGroup(pg, pdc->names.data); //locs->group_count = dq->dq_MarkedSpecies; dq->dq_ProbeLength = pdc->probelen; dq->dq_MinGroupHits = (ULONG) (pdc->mintarget * (double) dq->dq_MarkedSpecies + 0.5); dq->dq_MaxNonGroupHits = pdc->mishit; dq->dq_MaxHairpin = (ULONG) pdc->maxbonds; dq->dq_MinTemp = pdc->mintemp; dq->dq_MaxTemp = pdc->maxtemp; dq->dq_MinGC = (ULONG) (pdc->min_gc * (double) pdc->probelen); dq->dq_MaxGC = (ULONG) (pdc->max_gc * (double) pdc->probelen + 0.5); dq->dq_MaxHits = pdc->clipresult; /* get first partition */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while (pp->pp_Node.ln_Succ) { dq->dq_PTPanPartition = pp; FindProbeInPartition(dq); pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } printf("%ld probes generated...\n", dq->dq_NumHits); CalcProbeQuality(dq); return 0; } /* \\\ */ ./arbsrc_9167/ptpan/ptp_probe_debug.cxx0000644012664100000130000000113011213220012020120 0ustar arb_buildcoders#include #include #include extern "C" { char *md2(void * object); } main(int argc,char ** argv) { int zw; T_PT_MAIN com; aisc_com *link; if(argc<3){ printf("syntax: %s address\n", argv[0]); exit(1); } link = (aisc_com *)aisc_open(argv[1], &com, AISC_MAGIC_NUMBER); if (!link) { printf("cannot contact server\n", argv[0]); exit(1); } zw = atoi(argv[2]); if(!zw) zw = (int)com; printf("%s\n",md2((void *)zw)); } ./arbsrc_9167/ptpan/pt_prototypes.h0000644012664100000130000002777211440743000017375 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef PT_PROTOTYPES_H #define PT_PROTOTYPES_H #ifndef P_ # if defined(__STDC__) || defined(__cplusplus) # define P_(s) s # else # define P_(s) () # endif #else # error P_ already defined elsewhere #endif /* PTP_new_design.cxx */ extern "C" int pt_init_bond_matrix P_((PT_pdc *THIS)); extern "C" char *get_design_info P_((PT_tprobes *tprobe)); extern "C" char *get_design_hinfo P_((PT_tprobes *tprobe)); ULONG MarkSpeciesGroup P_((struct PTPanGlobal *pg, STRPTR specnames)); struct DesignQuery *AllocDesignQuery P_((struct PTPanGlobal *pg)); void FreeDesignQuery P_((struct DesignQuery *dq)); struct DesignHit *AddDesignHit P_((struct DesignQuery *dq)); void RemDesignHit P_((struct DesignHit *dh)); void CalcProbeQuality P_((struct DesignQuery *dq)); BOOL FindProbeInPartition P_((struct DesignQuery *dq)); extern "C" int PT_start_design P_((PT_pdc *pdc, int dummy_1x)); /* PTP_main.cxx */ struct PTPanGlobal *AllocPTPanGlobal P_((void)); void FreePTPanGlobal P_((struct PTPanGlobal *pg)); extern "C" int server_shutdown P_((PT_main *, aisc_string passwd)); extern "C" int broadcast P_((PT_main *main, int dummy_1x)); /* PTP_io.cxx */ ULONG BenchTimePassed P_((struct PTPanGlobal *pg)); void BenchOutput P_((struct PTPanGlobal *pg)); ULONG CalcLengthForFilteredSequence P_((struct PTPanGlobal *pg, STRPTR srcseq)); ULONG FilterSequenceTo P_((struct PTPanGlobal *pg, STRPTR srcstr, STRPTR filtptr)); STRPTR FilterSequence P_((struct PTPanGlobal *pg, STRPTR srcseq)); ULONG CompressSequenceTo P_((struct PTPanGlobal *pg, STRPTR srcseq, ULONG *seqptr)); ULONG *CompressSequence P_((struct PTPanGlobal *pg, STRPTR srcseq)); ULONG GetLengthOfCompressedSequence P_((struct PTPanGlobal *pg, ULONG *seqptr)); UWORD GetCompressedLongSize P_((struct PTPanGlobal *pg, ULONG pval)); ULONG DecompressSequenceTo P_((struct PTPanGlobal *pg, ULONG *seqptr, STRPTR tarseq)); ULONG DecompressCompressedLongTo P_((struct PTPanGlobal *pg, ULONG pval, STRPTR tarseq)); STRPTR DecompressSequence P_((struct PTPanGlobal *pg, ULONG *seqptr)); LONG DecompressSequencePartTo P_((struct PTPanGlobal *pg, ULONG *seqptr, ULONG seqpos, ULONG length, STRPTR tarseq)); UBYTE GetNextCharacter P_((struct PTPanGlobal *pg, UBYTE *buffer, ULONG &bitpos, ULONG &count)); ULONG WriteManyChars P_((UBYTE *buffer, ULONG bitpos, BYTE c, ULONG i)); ULONG CompressSequenceWithDotsAndHyphens P_((struct PTPanGlobal *pg, struct PTPanSpecies *ps)); void ComplementSequence P_((struct PTPanGlobal *pg, STRPTR seqstr)); void ReverseSequence P_((struct PTPanGlobal *, STRPTR seqstr)); BOOL OpenDataBase P_((struct PTPanGlobal *pg)); BOOL LoadEcoliSequence P_((struct PTPanGlobal *pg)); void FreeAllSpecies P_((struct PTPanGlobal *pg)); BOOL CacheSpeciesLoad P_((struct CacheHandler *, struct PTPanSpecies *ps)); BOOL CacheSpeciesUnload P_((struct CacheHandler *, struct PTPanSpecies *ps)); ULONG CacheSpeciesSize P_((struct CacheHandler *, struct PTPanSpecies *ps)); BOOL LoadSpecies P_((struct PTPanGlobal *pg)); BOOL LoadIndexHeader P_((struct PTPanGlobal *pg)); BOOL LoadAllPartitions P_((struct PTPanGlobal *pg)); void FreeAllPartitions P_((struct PTPanGlobal *pg)); /* PTP_etc.cxx */ void SetARBErrorMsg P_((PT_local *locs, const STRPTR error)); extern "C" STRPTR virt_name P_((PT_probematch *ml)); extern "C" STRPTR virt_fullname P_((PT_probematch *ml)); extern "C" bytestring *PT_unknown_names P_((struct_PT_pdc *pdc)); /* PTP_family.cxx */ extern "C" int ff_find_family P_((PT_local *locs, bytestring *species)); extern "C" int find_family P_((PT_local *locs, bytestring *species)); /* PT_lowlevel.cxx */ ULONG WriteBits P_((UBYTE *adr, ULONG bitpos, ULONG code, UWORD len)); ULONG ReadBits P_((UBYTE *adr, ULONG bitpos, UWORD len)); /* PT_huffman.cxx */ void BuildHuffmanCodeRec P_((struct HuffCode *hcbase, struct HuffCodeInternal *hc, ULONG len, ULONG rootidx, ULONG codelen, ULONG code)); BOOL BuildHuffmanCode P_((struct HuffCode *hcbase, ULONG len, LONG threshold)); void WriteHuffmanTree P_((struct HuffCode *hc, ULONG size, FILE *fh)); struct HuffTree *ReadHuffmanTree P_((FILE *fh)); struct HuffTree *BuildHuffmanTreeFromTable P_((struct HuffCode *hc, ULONG maxid)); void FreeHuffmanTree P_((struct HuffTree *root)); struct HuffTree *FindHuffTreeID P_((struct HuffTree *ht, UBYTE *adr, ULONG bitpos)); /* PT_treepack.cxx */ BOOL WriteIndexHeader P_((struct PTPanGlobal *pg)); BOOL WriteTreeHeader P_((struct PTPanPartition *pp)); BOOL CachePartitionLoad P_((struct CacheHandler *, struct PTPanPartition *pp)); void CachePartitionUnload P_((struct CacheHandler *, struct PTPanPartition *pp)); ULONG CachePartitionSize P_((struct CacheHandler *, struct PTPanPartition *pp)); BOOL WriteStdSuffixTreeHeader P_((struct PTPanPartition *pp)); BOOL CacheStdSuffixPartitionLoad P_((struct CacheHandler *, struct PTPanPartition *pp)); void CacheStdSuffixPartitionUnload P_((struct CacheHandler *, struct PTPanPartition *pp)); ULONG FixRelativePointersRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen)); LONG ULONGCompare P_((const ULONG *node1, const ULONG *node2)); ULONG CalcPackedNodeSize P_((struct PTPanPartition *pp, ULONG pos)); ULONG CalcPackedLeafSize P_((struct PTPanPartition *pp, ULONG pos)); void DebugTreeNode P_((struct TreeNode *tn)); void GetTreePath P_((struct TreeNode *tn, STRPTR strptr, ULONG len)); struct TreeNode *GoDownStdSuffixNodeChild P_((struct TreeNode *oldtn, UWORD seqcode)); struct TreeNode *GoDownNodeChild P_((struct TreeNode *oldtn, UWORD seqcode)); struct TreeNode *GoDownNodeChildNoEdge P_((struct TreeNode *oldtn, UWORD seqcode)); struct TreeNode *ReadPackedNode P_((struct PTPanPartition *pp, ULONG pos)); struct TreeNode *ReadPackedNodeNoEdge P_((struct PTPanPartition *pp, ULONG pos)); struct TreeNode *ReadPackedLeaf P_((struct PTPanPartition *pp, ULONG pos)); ULONG WritePackedNode P_((struct PTPanPartition *pp, ULONG pos, UBYTE *buf)); ULONG WritePackedLeaf P_((struct PTPanPartition *pp, ULONG pos, UBYTE *buf)); struct SearchQuery *CloneSearchQuery P_((struct SearchQuery *oldsq)); struct SearchQuery *AllocSearchQuery P_((struct PTPanGlobal *pg)); void FreeSearchQuery P_((struct SearchQuery *sq)); void SearchTree P_((struct SearchQuery *sq)); void PostFilterQueryHits P_((struct SearchQuery *sq)); BOOL AddQueryHit P_((struct SearchQuery *sq, ULONG hitpos)); void RemQueryHit P_((struct QueryHit *qh)); void MergeQueryHits P_((struct SearchQuery *tarsq, struct SearchQuery *srcsq)); void PrintSearchQueryState P_((const char *s1, const char *s2, struct SearchQuery *sq)); void SearchTreeRec P_((struct SearchQuery *sq)); void CollectTreeRec P_((struct SearchQuery *sq)); BOOL MatchSequence P_((struct SearchQuery *sq)); BOOL MatchSequenceRec P_((struct SearchQuery *sq)); BOOL FindSequenceMatch P_((struct SearchQuery *sq, struct QueryHit *qh, STRPTR tarstr)); BOOL FindSequenceMatchRec P_((struct SearchQuery *sq, struct QueryHit *qh, STRPTR tarptr)); /* PTP_buildtree.cxx */ BOOL BuildStdSuffixTree P_((struct PTPanGlobal *pg)); BOOL BuildMemoryStdSuffixTree P_((struct PTPanPartition *pp)); ULONG SplitStdSfxNode P_((struct PTPanPartition *pp, ULONG leafnum)); ULONG FindStdSfxNode P_((struct PTPanPartition *pp, ULONG snum, ULONG &sfxstart, ULONG sfxend)); ULONG FastFindStdSfxNode P_((struct PTPanPartition *pp, ULONG snum, ULONG sfxstart, ULONG sfxend)); ULONG InsertStdSfxNode P_((struct PTPanPartition *pp, ULONG sfxstart, ULONG sfxend, ULONG parnum)); BOOL WriteStdSuffixTreeToDisk P_((struct PTPanPartition *pp)); BOOL BuildPTPanIndex P_((struct PTPanGlobal *pg)); BOOL BuildMergedDatabase P_((struct PTPanGlobal *pg)); BOOL PartitionPrefixScan P_((struct PTPanGlobal *pg)); BOOL CreateTreeForPartition P_((struct PTPanPartition *pp)); BOOL BuildMemoryTree P_((struct PTPanPartition *pp)); ULONG CommonSequenceLength P_((struct PTPanPartition *pp, ULONG spos1, ULONG spos2, ULONG maxlen)); LONG CompareCompressedSequence P_((struct PTPanGlobal *pg, ULONG spos1, ULONG spos2)); BOOL InsertTreePos P_((struct PTPanPartition *pp, ULONG pos, ULONG window)); BOOL CalculateTreeStats P_((struct PTPanPartition *pp)); void GetTreeStatsDebugRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level)); void GetTreeStatsTreeDepthRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level)); void GetTreeStatsLevelRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level)); void GetTreeStatsShortEdgesRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen)); void GetTreeStatsLongEdgesRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen)); void GetTreeStatsBranchHistoRec P_((struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen)); void GetTreeStatsVerifyRec P_((struct PTPanPartition *pp, ULONG pos, ULONG treepos, ULONG hash)); ULONG GetTreeStatsLeafCountRec P_((struct PTPanPartition *pp, ULONG pos)); void GetTreeStatsLeafCollectRec P_((struct PTPanPartition *pp, ULONG pos)); LONG LongEdgeLengthCompare P_((const struct SfxNode **node1, const struct SfxNode **node2)); LONG LongEdgePosCompare P_((const struct SfxNode **node1, const struct SfxNode **node2)); LONG LongEdgeLabelCompare P_((struct SfxNode **node1, struct SfxNode **node2)); ULONG GetSeqHash P_((struct PTPanGlobal *pg, ULONG seqpos, ULONG len, ULONG hash)); ULONG GetSeqHashBackwards P_((struct PTPanGlobal *pg, ULONG seqpos, ULONG len, ULONG hash)); BOOL CheckLongEdgeMatch P_((struct PTPanPartition *pp, ULONG seqpos, ULONG edgelen, ULONG dictpos)); BOOL BuildLongEdgeDictionary P_((struct PTPanPartition *pp)); BOOL WriteTreeToDisk P_((struct PTPanPartition *pp)); BOOL CreatePartitionLookup P_((struct PTPanGlobal *pg)); /* PTP_match.cxx */ void SearchPartition P_((struct PTPanPartition *pp, struct SearchQuery *sq)); void QueryTests P_((struct PTPanGlobal *pg)); void PP_convertBondMatrix P_((PT_pdc *pdc, PTPanGlobal *pg)); void PP_buildPosWeight P_((SearchQuery *sq)); extern "C" int probe_match P_((PT_local *locs, aisc_string probestring)); void SortHitsList P_((struct SearchQuery *sq)); void CreateHitsGUIList P_((struct SearchQuery *sq)); extern "C" STRPTR get_match_info P_((PT_probematch *ml)); STRPTR GetMatchListHeader P_((STRPTR seq)); extern "C" STRPTR get_match_hinfo P_((PT_probematch *)); extern "C" STRPTR c_get_match_hinfo P_((PT_probematch *)); extern "C" bytestring *match_string P_((PT_local *locs)); extern "C" bytestring *MP_match_string P_((PT_local *locs)); extern "C" bytestring *MP_all_species_string P_((PT_local *)); extern "C" int MP_count_all_species P_((PT_local *)); /* PTP_findEx.cxx */ extern "C" int PT_find_exProb P_((PT_exProb *pep)); /* PT_cachehandler.cxx */ struct CacheHandler *AllocCacheHandler P_((void)); void FreeCacheHandler P_((struct CacheHandler *ch)); struct CacheNode *CacheLoadData P_((struct CacheHandler *ch, struct CacheNode *cn, APTR ud)); ULONG CacheMemUsage P_((struct CacheHandler *ch)); void DisableCache P_((struct CacheHandler *ch)); void EnableCache P_((struct CacheHandler *ch)); BOOL CacheDataLoaded P_((struct CacheNode *cn)); void FreeCacheNode P_((struct CacheHandler *ch, struct CacheNode *cn)); BOOL CacheUnloadData P_((struct CacheHandler *ch, struct CacheNode *cn)); ULONG FlushCache P_((struct CacheHandler *ch)); /* PT_hashing.cxx */ struct HashArray *AllocHashArray P_((ULONG size)); void FreeHashArray P_((struct HashArray *ha)); void ClearHashArray P_((struct HashArray *ha)); struct HashEntry *GetHashEntry P_((struct HashArray *ha, ULONG hashkey)); BOOL EnlargeHashArray P_((struct HashArray *ha)); BOOL InsertHashEntry P_((struct HashArray *ha, ULONG hashkey, ULONG data)); /* dlist.cxx */ void NewList P_((struct List *lh)); void AddHead P_((struct List *lh, struct Node *nd)); void AddTail P_((struct List *lh, struct Node *nd)); void Remove P_((struct Node *nd)); LONG NodePriCompare P_((const struct Node **node1, const struct Node **node2)); BOOL SortList P_((struct List *lh)); struct BinTree *BuildBinTreeRec P_((struct Node **nodearr, ULONG left, ULONG right)); struct BinTree *BuildBinTree P_((struct List *list)); void FreeBinTree P_((struct BinTree *root)); struct Node *FindBinTreeLowerKey P_((struct BinTree *root, LLONG key)); #undef P_ #else #error pt_prototypes.h included twice #endif /* PT_PROTOTYPES_H */ ./arbsrc_9167/ptpan/PT_treepack.cxx0000644012664100000130000026166611440743000017220 0ustar arb_buildcoders#include #include #include #include #include #include #include #include "ptpan.h" #include "pt_prototypes.h" #include #include /* /// "WriteIndexHeader()" */ BOOL WriteIndexHeader(struct PTPanGlobal *pg) { struct PTPanSpecies *ps; struct PTPanPartition *pp; FILE *fh = pg->pg_IndexFile; ULONG endian = 0x01020304; UWORD version = FILESTRUCTVERSION; /* write 16 bytes of ID */ fputs("TUM PeTerPAN IDX", fh); /* write a specific code word to allow detection of correct endianess */ fwrite(&endian, sizeof(endian), 1, fh); /* write file version */ fwrite(&version, sizeof(version), 1, fh); /* write some global data */ fwrite(&pg->pg_UseStdSfxTree, sizeof(pg->pg_UseStdSfxTree), 1, fh); fwrite(&pg->pg_AlphaSize , sizeof(pg->pg_AlphaSize) , 1, fh); fwrite(&pg->pg_TotalSeqSize , sizeof(pg->pg_TotalSeqSize) , 1, fh); fwrite(&pg->pg_TotalSeqCompressedSize, sizeof(pg->pg_TotalSeqCompressedSize) , 1, fh); fwrite(&pg->pg_TotalRawSize , sizeof(pg->pg_TotalRawSize) , 1, fh); fwrite(&pg->pg_TotalRawBits , sizeof(pg->pg_TotalRawBits) , 1, fh); fwrite(&pg->pg_AllHashSum , sizeof(pg->pg_AllHashSum) , 1, fh); fwrite(&pg->pg_NumSpecies , sizeof(pg->pg_NumSpecies) , 1, fh); fwrite(&pg->pg_NumPartitions, sizeof(pg->pg_NumPartitions), 1, fh); fwrite(&pg->pg_MaxPrefixLen , sizeof(pg->pg_MaxPrefixLen) , 1, fh); // write Ecoli Sequence fwrite(&pg->pg_EcoliSeqSize , sizeof(pg->pg_EcoliSeqSize) , 1 , fh); if (pg->pg_EcoliSeqSize > 0) { // only write EcoliSeq and fwrite(pg->pg_EcoliSeq , 1 , pg->pg_EcoliSeqSize + 1 , fh); // EcoliBaseTable if we fwrite(pg->pg_EcoliBaseTable , sizeof(ULONG), pg->pg_EcoliSeqSize + 1 , fh); // found them earlier... } /* write species info */ ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while(ps->ps_Node.ln_Succ) { /* write names */ UWORD len; len = strlen(ps->ps_Name); fwrite(&len, sizeof(len), 1, fh); fputs(ps->ps_Name, fh); len = strlen(ps->ps_FullName); fwrite(&len, sizeof(len), 1, fh); fputs(ps->ps_FullName, fh); /* write some more relevant data */ fwrite(&ps->ps_SeqDataSize, sizeof(ps->ps_SeqDataSize), 1, fh); fwrite(&ps->ps_RawDataSize, sizeof(ps->ps_RawDataSize), 1, fh); fwrite(&ps->ps_AbsOffset, sizeof(ps->ps_AbsOffset), 1, fh); fwrite(&ps->ps_SeqHash, sizeof(ps->ps_SeqHash), 1, fh); fwrite(&ps->ps_SeqDataCompressedSize, sizeof(ps->ps_SeqDataCompressedSize), 1, fh); // save compressed Seq Data fwrite(ps->ps_SeqDataCompressed, 1, ((ps->ps_SeqDataCompressedSize >> 3) + 1), fh); // . free(ps->ps_SeqDataCompressed); // and free the memory ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; } /* write partition info */ pp = (struct PTPanPartition *) pg->pg_Partitions.lh_Head; while(pp->pp_Node.ln_Succ) { fwrite(&pp->pp_ID, sizeof(pp->pp_ID), 1, fh); fwrite(&pp->pp_Prefix, sizeof(pp->pp_Prefix), 1, fh); fwrite(&pp->pp_PrefixLen, sizeof(pp->pp_PrefixLen), 1, fh); fwrite(&pp->pp_Size, sizeof(pp->pp_Size), 1, fh); fwrite(&pp->pp_RawOffset, sizeof(pp->pp_RawOffset), 1, fh); pp = (struct PTPanPartition *) pp->pp_Node.ln_Succ; } return(TRUE); } /* \\\ */ /* /// "WriteTreeHeader()" */ BOOL WriteTreeHeader(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; FILE *fh = pp->pp_PartitionFile; /* write 16 bytes of ID */ fputs("TUM PeTerPAN P3I", fh); /* checksum to verify */ fwrite(&pg->pg_AllHashSum , sizeof(pg->pg_AllHashSum) , 1, fh); /* write partition data */ fwrite(&pp->pp_ID , sizeof(pp->pp_ID) , 1, fh); fwrite(&pp->pp_Prefix , sizeof(pp->pp_Prefix) , 1, fh); fwrite(&pp->pp_PrefixLen , sizeof(pp->pp_PrefixLen) , 1, fh); fwrite(&pp->pp_Size , sizeof(pp->pp_Size) , 1, fh); fwrite(&pp->pp_RawOffset , sizeof(pp->pp_RawOffset) , 1, fh); fwrite(&pp->pp_TreePruneDepth , sizeof(pp->pp_TreePruneDepth) , 1, fh); fwrite(&pp->pp_TreePruneLength, sizeof(pp->pp_TreePruneLength), 1, fh); fwrite(&pp->pp_LongDictSize , sizeof(pp->pp_LongDictSize) , 1, fh); fwrite(&pp->pp_LongRelPtrBits , sizeof(pp->pp_LongRelPtrBits) , 1, fh); /* branch code */ WriteHuffmanTree(pp->pp_BranchCode, 1UL << pg->pg_AlphaSize, fh); /* short edge code */ WriteHuffmanTree(pp->pp_ShortEdgeCode, 1UL << (pg->pg_BitsUseTable[SHORTEDGEMAX]+1), fh); /* long edge len code */ WriteHuffmanTree(pp->pp_LongEdgeLenCode, pp->pp_LongEdgeLenSize, fh); /* long dictionary */ pp->pp_LongDictRawSize = ((pp->pp_LongDictSize / MAXCODEFITLONG) + 1) * sizeof(ULONG); fwrite(&pp->pp_LongDictRawSize, sizeof(pp->pp_LongDictRawSize), 1, fh); fwrite(pp->pp_LongDictRaw, pp->pp_LongDictRawSize, 1, fh); /* write tree length */ fwrite(&pp->pp_DiskTreeSize, sizeof(pp->pp_DiskTreeSize) , 1, fh); return(TRUE); } /* \\\ */ /* /// "CachePartitionLoad()" */ BOOL CachePartitionLoad(struct CacheHandler *, struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; FILE *fh; char idstr[16]; ULONG hashsum; ULONG len; if(!(fh = fopen(pp->pp_PartitionName, "r"))) { printf("Couldn't open partition file %s\n", pp->pp_PartitionName); return(FALSE); } printf("Loading partition file %s... ", pp->pp_PartitionName); /* read id string */ fread(idstr, 16, 1, fh); if(strncmp("TUM PeTerPAN P3I", idstr, 16)) { printf("ERROR: This is no partition file!\n"); fclose(fh); return(FALSE); } fread(&hashsum, sizeof(pg->pg_AllHashSum), 1, fh); if(hashsum != pg->pg_AllHashSum) { printf("ERROR: Partition file does not match index file!\n"); fclose(fh); return(FALSE); } /* read partition data */ fread(&pp->pp_ID , sizeof(pp->pp_ID) , 1, fh); fread(&pp->pp_Prefix , sizeof(pp->pp_Prefix) , 1, fh); fread(&pp->pp_PrefixLen , sizeof(pp->pp_PrefixLen) , 1, fh); fread(&pp->pp_Size , sizeof(pp->pp_Size) , 1, fh); fread(&pp->pp_RawOffset , sizeof(pp->pp_RawOffset) , 1, fh); fread(&pp->pp_TreePruneDepth , sizeof(pp->pp_TreePruneDepth) , 1, fh); fread(&pp->pp_TreePruneLength, sizeof(pp->pp_TreePruneLength), 1, fh); fread(&pp->pp_LongDictSize , sizeof(pp->pp_LongDictSize) , 1, fh); fread(&pp->pp_LongRelPtrBits , sizeof(pp->pp_LongRelPtrBits) , 1, fh); /* read huffman tables */ pp->pp_BranchTree = ReadHuffmanTree(fh); pp->pp_ShortEdgeTree = ReadHuffmanTree(fh); pp->pp_LongEdgeLenTree = ReadHuffmanTree(fh); /* read compressed dictionary */ fread(&len, sizeof(len), 1, fh); pp->pp_LongDictRaw = (ULONG *) malloc(len); if(pp->pp_LongDictRaw) { fread(pp->pp_LongDictRaw, len, 1, fh); /* read compressed tree */ fread(&pp->pp_DiskTreeSize, sizeof(pp->pp_DiskTreeSize), 1, fh); /* if we're low on memory, use virtual memory instead */ if(pg->pg_LowMemoryMode) { LONG pos; pos = ftell(fh); /* map file to virtual memory */ pp->pp_MapFileSize = pos + pp->pp_DiskTreeSize; pp->pp_MapFileBuffer = (UBYTE *) mmap(0, pp->pp_MapFileSize, PROT_READ, MAP_SHARED, fileno(fh), 0); if(pp->pp_MapFileBuffer) { fclose(fh); /* calculate start of buffer inside file */ pp->pp_DiskTree = &pp->pp_MapFileBuffer[pos]; printf("VMEM!\n"); return(TRUE); } else { printf("Unable to map file to ram!\n"); } } else { pp->pp_MapFileBuffer = NULL; pp->pp_DiskTree = (UBYTE *) malloc(pp->pp_DiskTreeSize); if(pp->pp_DiskTree) { fread(pp->pp_DiskTree, pp->pp_DiskTreeSize, 1, fh); fclose(fh); printf("DONE!\n"); return(TRUE); } else { printf("Out of memory while loading tree (%ld)!\n", pp->pp_DiskTreeSize); } } freeset(pp->pp_LongDictRaw, NULL); } else { printf("Out of memory while loading long dictionary (%ld)!\n", len); } fclose(fh); FreeHuffmanTree(pp->pp_BranchTree); FreeHuffmanTree(pp->pp_ShortEdgeTree); FreeHuffmanTree(pp->pp_LongEdgeLenTree); pp->pp_BranchTree = NULL; pp->pp_ShortEdgeTree = NULL; pp->pp_LongEdgeLenTree = NULL; return(FALSE); } /* \\\ */ /* /// "CachePartitionUnload()" */ void CachePartitionUnload(struct CacheHandler *, struct PTPanPartition *pp) { /* free partition memory */ printf("Unloading %s\n", pp->pp_PartitionName); FreeHuffmanTree(pp->pp_BranchTree); FreeHuffmanTree(pp->pp_ShortEdgeTree); FreeHuffmanTree(pp->pp_LongEdgeLenTree); free(pp->pp_LongDictRaw); if(pp->pp_MapFileBuffer) { munmap(pp->pp_MapFileBuffer, pp->pp_MapFileSize); pp->pp_MapFileBuffer = NULL; pp->pp_DiskTree = NULL; } else { freeset(pp->pp_DiskTree, NULL); } pp->pp_BranchTree = NULL; pp->pp_ShortEdgeTree = NULL; pp->pp_LongEdgeLenTree = NULL; pp->pp_LongDictRaw = NULL; } /* \\\ */ /* /// "CachePartitionSize()" */ ULONG CachePartitionSize(struct CacheHandler *, struct PTPanPartition *pp) { //struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct stat ppstat; /* determine filesize */ ppstat.st_size = 0; stat(pp->pp_PartitionName, &ppstat); /* and return it */ return((ULONG) ppstat.st_size); } /* \\\ */ /* /// "WriteStdSuffixTreeHeader()" */ BOOL WriteStdSuffixTreeHeader(struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; FILE *fh = pp->pp_PartitionFile; /* write 16 bytes of ID */ fputs("TUM StdSfxTree I", fh); /* checksum to verify */ fwrite(&pg->pg_AllHashSum , sizeof(pg->pg_AllHashSum) , 1, fh); /* write partition data */ fwrite(&pp->pp_ID , sizeof(pp->pp_ID) , 1, fh); fwrite(&pp->pp_Prefix , sizeof(pp->pp_Prefix) , 1, fh); fwrite(&pp->pp_PrefixLen , sizeof(pp->pp_PrefixLen) , 1, fh); fwrite(&pp->pp_Size , sizeof(pp->pp_Size) , 1, fh); fwrite(&pp->pp_RawOffset , sizeof(pp->pp_RawOffset) , 1, fh); /* write tree length */ fwrite(&pp->pp_DiskTreeSize , sizeof(pp->pp_DiskTreeSize) , 1, fh); return(TRUE); } /* \\\ */ /* /// "CacheStdSuffixPartitionLoad()" */ BOOL CacheStdSuffixPartitionLoad(struct CacheHandler *, struct PTPanPartition *pp) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; FILE *fh; char idstr[16]; ULONG hashsum; ULONG len; if(!(fh = fopen(pp->pp_PartitionName, "r"))) { printf("Couldn't open suffix tree file %s\n", pp->pp_PartitionName); return(FALSE); } printf("Loading suffix tree file %s... ", pp->pp_PartitionName); /* read id string */ fread(idstr, 16, 1, fh); if(strncmp("TUM StdSfxTree I", idstr, 16)) { printf("ERROR: This is no partition file!\n"); fclose(fh); return(FALSE); } fread(&hashsum, sizeof(pg->pg_AllHashSum), 1, fh); if(hashsum != pg->pg_AllHashSum) { printf("ERROR: Partition file does not match index file!\n"); fclose(fh); return(FALSE); } /* read partition data */ fread(&pp->pp_ID , sizeof(pp->pp_ID) , 1, fh); fread(&pp->pp_Prefix , sizeof(pp->pp_Prefix) , 1, fh); fread(&pp->pp_PrefixLen , sizeof(pp->pp_PrefixLen) , 1, fh); fread(&pp->pp_Size , sizeof(pp->pp_Size) , 1, fh); fread(&pp->pp_RawOffset , sizeof(pp->pp_RawOffset) , 1, fh); fread(&pp->pp_DiskTreeSize , sizeof(pp->pp_DiskTreeSize) , 1, fh); if(pg->pg_LowMemoryMode) { LONG pos; pos = ftell(fh); /* map file to virtual memory */ pp->pp_MapFileSize = pos + pp->pp_DiskTreeSize; pp->pp_MapFileBuffer = (UBYTE *) mmap(0, pp->pp_MapFileSize, PROT_READ, MAP_SHARED, fileno(fh), 0); if(pp->pp_MapFileBuffer) { fclose(fh); /* calculate start of buffer inside file */ pp->pp_DiskTree = &pp->pp_MapFileBuffer[pos]; printf("VMEM!\n"); return(TRUE); } else { printf("Unable to map file to ram!\n"); } } else { pp->pp_MapFileBuffer = NULL; pp->pp_DiskTree = (UBYTE *) malloc(pp->pp_DiskTreeSize); if(pp->pp_DiskTree) { fread(pp->pp_DiskTree, pp->pp_DiskTreeSize, 1, fh); fclose(fh); printf("DONE!\n"); return(TRUE); } else { printf("Out of memory while loading tree (%ld)!\n", pp->pp_DiskTreeSize); } } fclose(fh); return(FALSE); } /* \\\ */ /* /// "CacheStdSuffixPartitionUnload()" */ void CacheStdSuffixPartitionUnload(struct CacheHandler *, struct PTPanPartition *pp) { /* free partition memory */ printf("Unloading %s\n", pp->pp_PartitionName); if(pp->pp_MapFileBuffer) { munmap(pp->pp_MapFileBuffer, pp->pp_MapFileSize); pp->pp_MapFileBuffer = NULL; pp->pp_DiskTree = NULL; } else { freeset(pp->pp_DiskTree, NULL); } } /* \\\ */ /* /// "FixRelativePointersRec()" */ ULONG FixRelativePointersRec(struct PTPanPartition *pp, ULONG pos, ULONG level, ULONG elen) { struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; ULONG nodesize = 0; /* traverse children */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; childidx = sfxnode->sn_Parent >> RELOFFSETBITS; level++; elen += sfxnode->sn_EdgeLen; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) { /* this is a normal node pointer, recurse */ /* enter absolute position */ childptr &= RELOFFSETMASK; childptr <<= 2; /* check for maximum depth reached */ if((level >= pp->pp_TreePruneDepth) || (elen >= pp->pp_TreePruneLength)) { struct SfxNode *childnode = (struct SfxNode *) &pp->pp_SfxNodes[childptr]; //printf("L%08lx ", childptr); nodesize = CalcPackedLeafSize(pp, childptr); /* add leaf node to traversal path */ childnode->sn_Parent &= ~RELOFFSETMASK; childnode->sn_Parent |= pp->pp_TraverseTreeRoot; pp->pp_TraverseTreeRoot = childptr >> 2; childnode->sn_AlphaMask = 0; /* indicate stop-leaf */ } else { nodesize = FixRelativePointersRec(pp, childptr, level, elen); } pp->pp_DiskTreeSize += nodesize; sfxnode->sn_Children[childidx] = (sfxnode->sn_Children[childidx] & ~RELOFFSETMASK) | pp->pp_DiskTreeSize; } } /* now convert absolute pointers to relative ones */ childidx = sfxnode->sn_Parent >> RELOFFSETBITS; while(childidx--) { childptr = sfxnode->sn_Children[childidx]; if(!(childptr >> LEAFBIT)) { /* fix relative pointer */ childptr &= RELOFFSETMASK; childptr = pp->pp_DiskTreeSize - childptr; sfxnode->sn_Children[childidx] = (sfxnode->sn_Children[childidx] & ~RELOFFSETMASK) | childptr; } } nodesize = CalcPackedNodeSize(pp, pos); //printf("N%08lx ", pos); /* fix travel route, as we lost our children pointers */ sfxnode->sn_Parent &= ~RELOFFSETMASK; sfxnode->sn_Parent |= pp->pp_TraverseTreeRoot; pp->pp_TraverseTreeRoot = pos >> 2; return(nodesize); } /* \\\ */ /* /// "ULONGCompare()" */ /* compare function for offset sorting */ LONG ULONGCompare(const ULONG *node1, const ULONG *node2) { return((LONG) *node1 - (LONG) *node2); } /* \\\ */ /* /// "CalcPackedNodeSize()" */ ULONG CalcPackedNodeSize(struct PTPanPartition *pp, ULONG pos) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; ULONG bitscnt = 0; ULONG val; ULONG cnt; ULONG newbase; #if 0 // debugging bitscnt = 8; #endif sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; /* huffman code for short / long edge */ if(sfxnode->sn_StartPos & (1UL << 31)) { /* long edge */ /*printf("LE[%02d+%02d+%02d] ", pp->pp_ShortEdgeCode[0].hc_CodeLength, pp->pp_LongEdgeLenCode[sfxnode->sn_EdgeLen].hc_CodeLength, pp->pp_LongRelPtrBits);*/ #if 0 // debug if(sfxnode->sn_EdgeLen >= pp->pp_LongEdgeLenSize) { printf("LongEdgeLen: code %d out of range!\n", sfxnode->sn_EdgeLen); } if(!pp->pp_LongEdgeLenCode[sfxnode->sn_EdgeLen].hc_CodeLength) { printf("LongEdgeLen: no code for %d!\n", sfxnode->sn_EdgeLen); } #endif bitscnt += pp->pp_ShortEdgeCode[0].hc_CodeLength; bitscnt += pp->pp_LongEdgeLenCode[sfxnode->sn_EdgeLen].hc_CodeLength; bitscnt += pp->pp_LongRelPtrBits; } else if(sfxnode->sn_StartPos & (1UL << 30)) { /* short edge */ /*printf("SE[ %02d] ", pp->pp_ShortEdgeCode[sfxnode->sn_StartPos & RELOFFSETMASK].hc_CodeLength);*/ #if 0 // debug if((sfxnode->sn_StartPos & RELOFFSETMASK) >= (1UL << (pg->pg_BitsUseTable[SHORTEDGEMAX]+1))) { printf("ShortEdge: code %ld out of range!\n", sfxnode->sn_StartPos & RELOFFSETMASK); } if(!pp->pp_ShortEdgeCode[sfxnode->sn_StartPos & RELOFFSETMASK].hc_CodeLength) { printf("ShortEdge: no code for %ld!\n", sfxnode->sn_StartPos & RELOFFSETMASK); } #endif bitscnt += pp->pp_ShortEdgeCode[sfxnode->sn_StartPos & RELOFFSETMASK].hc_CodeLength; } else { if(pos == 0) { /* special root handling */ bitscnt += pp->pp_ShortEdgeCode[1].hc_CodeLength; } else { printf("Arrrrgghhh?!?\n"); exit(1); } } /* branch code */ //printf("BC[%02d] ", pp->pp_BranchCode[sfxnode->sn_AlphaMask].hc_CodeLength); #if 0 // debug if(sfxnode->sn_AlphaMask >= (1UL << pg->pg_AlphaSize)) { printf("Branch: code %d out of range!\n", sfxnode->sn_AlphaMask); } if(!pp->pp_BranchCode[sfxnode->sn_AlphaMask].hc_CodeLength) { printf("Branch: no code for %d!\n", sfxnode->sn_AlphaMask); } #endif bitscnt += pp->pp_BranchCode[sfxnode->sn_AlphaMask].hc_CodeLength; /* child pointers */ /* msb = {0} -> rel is next msb = {10} -> 6 bit rel node ptr msb = {1100} -> 11 bit rel node ptr msb = {1101} -> 27 bit rel node ptr (large enough for a jump over 128 MB) msb = {111} -> nn bit abs leaf ptr (nn = pg->pg_TotalRawBits) */ cnt = sfxnode->sn_Parent >> RELOFFSETBITS; #if 0 /* debug */ if(cnt > pg->pg_AlphaSize) { printf("too many children %ld!\n", cnt); } #endif childidx = 0; newbase = 0; while(childidx < cnt) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer and doesn't contain a seqcode */ //printf("LF[%02d] ", 2+pg->pg_TotalRawBits); bitscnt += 3+pg->pg_TotalRawBits; } else { /* this is a normal node pointer, recurse */ val = childptr & RELOFFSETMASK; val -= newbase; newbase += val; //printf("Dist: %6ld\n", val); if(val == 0) { /* next */ bitscnt++; } else { if(val < (1UL << 6)) { //printf("NP[8] "); bitscnt += 2+6; } else { if(val < (1UL << 11)) { //printf("NP[15] "); bitscnt += 4+11; } else { //printf("NP[31] "); bitscnt += 4+27; } } } } childidx++; } //printf("P[%08lx] %ld\n", pos, bitscnt); return((bitscnt + 7) >> 3); } /* \\\ */ /* /// "CalcPackedLeafSize()" */ ULONG CalcPackedLeafSize(struct PTPanPartition *pp, ULONG pos) { struct SfxNode *sfxnode; ULONG leafcnt; ULONG cnt; LONG oldval; LONG val; ULONG leafsize = 1; ULONG sdleafsize = 1; #if 0 static BOOL example = TRUE; #endif sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; /* how many leaves do we have? */ leafcnt = GetTreeStatsLeafCountRec(pp, pos); pp->pp_DiskOuterLeaves += leafcnt; //printf("%ld leaves\n", leafcnt); /* enlarge memory, if too small */ if(pp->pp_LeafBufferSize < leafcnt) { pp->pp_LeafBuffer = (LONG *) realloc(pp->pp_LeafBuffer, leafcnt * sizeof(LONG)); pp->pp_LeafBufferSize = leafcnt; } pp->pp_LeafBufferPtr = pp->pp_LeafBuffer; /* collect leafs */ GetTreeStatsLeafCollectRec(pp, pos); if(leafcnt > 1) { qsort(pp->pp_LeafBuffer, leafcnt, sizeof(ULONG), (int (*)(const void *, const void *)) ULONGCompare); } #if 0 /* debug */ if((leafcnt > 20) && example) { printf("Original:\n"); for(cnt = 0; cnt < leafcnt; cnt++) { printf("%ld %ld\n", cnt, pp->pp_LeafBuffer[cnt]); } } #endif /* do delta compression */ oldval = pp->pp_LeafBuffer[0]; for(cnt = 1; cnt < leafcnt; cnt++) { pp->pp_LeafBuffer[cnt] -= oldval; oldval += pp->pp_LeafBuffer[cnt]; //printf("%ld\n", pp->pp_LeafBuffer[cnt]); } #if 0 /* debug */ if((leafcnt > 20) && example) { printf("Delta 1:\n"); for(cnt = 0; cnt < leafcnt; cnt++) { printf("%ld %ld\n", cnt, pp->pp_LeafBuffer[cnt]); } } #endif #ifdef DOUBLEDELTALEAVES #ifdef DOUBLEDELTAOPTIONAL for(cnt = 0; cnt < leafcnt; cnt++) { val = pp->pp_LeafBuffer[cnt]; if((val < -63) || (val > 63)) { if((val < -8192) || (val > 8191)) { if((val < -(1L << 20)) || (val > ((1L << 20) - 1))) { if((val < -(1L << 27)) || (val > ((1L << 27) - 1))) { /* five bytes */ sdleafsize += 5; } else { /* four bytes */ sdleafsize += 4; } } else { /* three bytes */ sdleafsize += 3; } } else { /* two bytes */ sdleafsize += 2; } } else { /* one byte */ sdleafsize++; } } *pp->pp_LeafBuffer = -(*pp->pp_LeafBuffer); (*pp->pp_LeafBuffer)--; #endif /* do delta compression a second time */ if(leafcnt > 2) { oldval = pp->pp_LeafBuffer[1]; for(cnt = 2; cnt < leafcnt; cnt++) { pp->pp_LeafBuffer[cnt] -= oldval; oldval += pp->pp_LeafBuffer[cnt]; //printf("%ld\n", pp->pp_LeafBuffer[cnt]); } } #if 0 /* debug */ if((leafcnt > 20) && example) { printf("Delta 2:\n"); for(cnt = 0; cnt < leafcnt; cnt++) { printf("%ld %ld\n", cnt, pp->pp_LeafBuffer[cnt]); } example = FALSE; } #endif #endif /* compression: msb == {1} -> 1 byte offset (- 63 - 63) msb == {01} -> 2 byte offset (- 8192 - 8191) msb == {001} -> 3 byte offset (- 2^20 - 2^20-1) msb == {000} -> 4 byte offset (- 2^28 - 2^28-1) special opcodes: 0xff -> end of array This means the upper limit is currently 1 GB for raw sequence data (this can be changed though: Just introduce another opcode) */ for(cnt = 0; cnt < leafcnt; cnt++) { val = pp->pp_LeafBuffer[cnt]; if((val < -63) || (val > 63)) { if((val < -8192) || (val > 8191)) { if((val < -(1L << 20)) || (val > ((1L << 20) - 1))) { if((val < -(1L << 27)) || (val > ((1L << 27) - 1))) { /* five bytes */ leafsize += 5; } else { /* four bytes */ leafsize += 4; } } else { /* three bytes */ leafsize += 3; } } else { /* two bytes */ leafsize += 2; } } else { /* one byte */ leafsize++; } } #ifdef DOUBLEDELTAOPTIONAL return((leafsize < sdleafsize) ? leafsize : sdleafsize); #else return(leafsize); #endif } /* \\\ */ /* /// "DebugTreeNode()" */ void DebugTreeNode(struct TreeNode *tn) { struct PTPanPartition *pp = tn->tn_PTPanPartition; ULONG cnt; printf("*** NODE 0x%08lx\n" "Pos: %ld [%ld bytes] (Parent: %ld [0x%08lx])\n" "Level: %d (%d bases into tree)\n" "Edge: %d (%s)\n" "Children: ", (ULONG) tn, tn->tn_Pos, tn->tn_Size, tn->tn_ParentPos, (ULONG) tn->tn_Parent, tn->tn_Level, tn->tn_TreeOffset, tn->tn_EdgeLen, tn->tn_Edge); for(cnt = 0; cnt < pp->pp_PTPanGlobal->pg_AlphaSize; cnt++) { printf("[0x%08lx] ", tn->tn_Children[cnt]); } printf("\nLeaves: %ld\n ", tn->tn_NumLeaves); for(cnt = 0; cnt < tn->tn_NumLeaves; cnt++) { printf("<%ld> ", tn->tn_Leaves[cnt]); } printf("\n"); } /* \\\ */ /* /// "GetTreePath()" */ void GetTreePath(struct TreeNode *tn, STRPTR strptr, ULONG len) { strptr[len] = 0; /* NULL termination of the string */ if(!len) { return; } /* if the edge is too short, fill with question marks */ while(len > tn->tn_TreeOffset) { len--; strptr[len] = '?'; } while(len) { while(len + tn->tn_EdgeLen > tn->tn_TreeOffset) { len--; strptr[len] = tn->tn_Edge[len + tn->tn_EdgeLen - tn->tn_TreeOffset]; } tn = tn->tn_Parent; } } /* \\\ */ /* /// "GoDownStdSuffixNodeChild()" */ struct TreeNode * GoDownStdSuffixNodeChild(struct TreeNode *oldtn, UWORD seqcode) { struct PTPanPartition *pp = oldtn->tn_PTPanPartition; struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct TreeNode *tn; struct StdSfxNodeOnDisk *ssn; ULONG childoff; if(!oldtn->tn_Children[seqcode]) { return(NULL); } ssn = &((struct StdSfxNodeOnDisk *) pp->pp_DiskTree)[oldtn->tn_Children[seqcode]]; if(!ssn->ssn_FirstChild) { /* create a single leaf node */ tn = (struct TreeNode *) calloc(sizeof(struct TreeNode), 1); /* fill in data */ tn->tn_PTPanPartition = pp; tn->tn_NumLeaves = 1; tn->tn_Edge = (STRPTR) &pp->pp_StdSfxMapBuffer[ssn->ssn_StartPos]; tn->tn_EdgeLen = ssn->ssn_EdgeLen; tn->tn_Leaves[0] = ssn->ssn_StartPos; } else { /* create a single leaf node */ tn = (struct TreeNode *) calloc(sizeof(struct TreeNode), 1); tn->tn_PTPanPartition = pp; tn->tn_NumLeaves = 0; tn->tn_Edge = (STRPTR) &pp->pp_StdSfxMapBuffer[ssn->ssn_StartPos]; tn->tn_EdgeLen = ssn->ssn_EdgeLen; tn->tn_Leaves[0] = ssn->ssn_StartPos; /* determine children */ childoff = ssn->ssn_FirstChild; do { ssn = &((struct StdSfxNodeOnDisk *) pp->pp_DiskTree)[childoff]; tn->tn_Children[pp->pp_StdSfxMapBuffer[ssn->ssn_StartPos]] = childoff; if(!ssn->ssn_NextSibling) { break; } } while((childoff = ssn->ssn_NextSibling)); } /* fill in downlink information */ tn->tn_TreeOffset = oldtn->tn_TreeOffset + tn->tn_EdgeLen; tn->tn_Level = oldtn->tn_Level + 1; tn->tn_ParentSeq = seqcode; tn->tn_ParentPos = oldtn->tn_Pos; tn->tn_Parent = oldtn; return(tn); } /* \\\ */ /* /// "GoDownNodeChild()" */ struct TreeNode * GoDownNodeChild(struct TreeNode *oldtn, UWORD seqcode) { struct PTPanPartition *pp = oldtn->tn_PTPanPartition; struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct TreeNode *tn; if(!oldtn->tn_Children[seqcode]) { return(NULL); } if(oldtn->tn_Children[seqcode] & LEAFMASK) { /* create a single leaf node */ tn = (struct TreeNode *) calloc(sizeof(struct TreeNode) + sizeof(ULONG) + 1 + 1, 1); /* fill in data */ tn->tn_PTPanPartition = pp; tn->tn_NumLeaves = 1; tn->tn_Edge = (STRPTR) &tn->tn_Leaves[1]; tn->tn_EdgeLen = 1; tn->tn_Leaves[0] = oldtn->tn_Children[seqcode] & ~LEAFMASK; } else { if(((ULONG) oldtn->tn_Level + 1 < pp->pp_TreePruneDepth) && ((ULONG) oldtn->tn_TreeOffset + 1 <= pp->pp_TreePruneLength)) { /* just go down normally */ tn = ReadPackedNode(pp, oldtn->tn_Children[seqcode]); } else { /* leaf reached */ tn = ReadPackedLeaf(pp, oldtn->tn_Children[seqcode]); } } #if 0 /* debug */ if(!tn) { printf("ERROR: Couldn't decrunch %d... going up!\n", seqcode); tn = oldtn; do { printf("[%s] ", tn->tn_Edge); tn = tn->tn_Parent; } while(tn); printf("\n"); return(NULL); } #endif /* fill in downlink information */ tn->tn_TreeOffset = oldtn->tn_TreeOffset + tn->tn_EdgeLen; if(tn->tn_TreeOffset > pp->pp_TreePruneLength) { tn->tn_EdgeLen = pp->pp_TreePruneLength - oldtn->tn_TreeOffset; } *tn->tn_Edge = pg->pg_DecompressTable[seqcode]; tn->tn_Level = oldtn->tn_Level + 1; tn->tn_ParentSeq = seqcode; tn->tn_ParentPos = oldtn->tn_Pos; tn->tn_Parent = oldtn; return(tn); } /* \\\ */ /* /// "GoDownNodeChildNoEdge()" */ struct TreeNode * GoDownNodeChildNoEdge(struct TreeNode *oldtn, UWORD seqcode) { struct PTPanPartition *pp = oldtn->tn_PTPanPartition; //struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct TreeNode *tn; if(!oldtn->tn_Children[seqcode]) { return(NULL); } if(oldtn->tn_Children[seqcode] & LEAFMASK) { /* create a single leaf node */ tn = (struct TreeNode *) calloc(sizeof(struct TreeNode), 1); /* fill in data */ tn->tn_PTPanPartition = pp; tn->tn_NumLeaves = 1; tn->tn_EdgeLen = 1; tn->tn_Leaves[0] = oldtn->tn_Children[seqcode] & ~LEAFMASK; } else { if(((ULONG) oldtn->tn_Level + 1 < pp->pp_TreePruneDepth) && ((ULONG) oldtn->tn_TreeOffset + 1 <= pp->pp_TreePruneLength)) { /* just go down normally */ tn = ReadPackedNodeNoEdge(pp, oldtn->tn_Children[seqcode]); } else { /* leaf reached */ tn = ReadPackedLeaf(pp, oldtn->tn_Children[seqcode]); } } /* fill in downlink information */ tn->tn_TreeOffset = oldtn->tn_TreeOffset + tn->tn_EdgeLen; if(tn->tn_TreeOffset > pp->pp_TreePruneLength) { tn->tn_EdgeLen = pp->pp_TreePruneLength - oldtn->tn_TreeOffset; } tn->tn_Level = oldtn->tn_Level + 1; tn->tn_ParentSeq = seqcode; tn->tn_ParentPos = oldtn->tn_Pos; tn->tn_Parent = oldtn; return(tn); } /* \\\ */ /* /// "ReadPackedNode()" */ struct TreeNode * ReadPackedNode(struct PTPanPartition *pp, ULONG pos) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct TreeNode *tn; struct HuffTree *ht; ULONG bitpos = 0; UBYTE *treeptr = &pp->pp_DiskTree[pos]; ULONG edgelen; ULONG edgepos; ULONG cnt; ULONG mask; ULONG pval; ULONG alphamask; ULONG newbase; BOOL shortedge; #if 0 // debugging bitpos = 8; if(*treeptr != 0xf2) { printf("Pos %08lx: Magic %02x. We're in trouble.\n", pos, *treeptr); return(NULL); } else { //printf("Pos %08lx: GOOD\n", pos); } #endif //printf("Pos %ld ", pos); /* read short edge tree */ ht = FindHuffTreeID(pp->pp_ShortEdgeTree, treeptr, bitpos); bitpos += ht->ht_CodeLength; pval = ht->ht_ID; if(pval) /* short edge */ { /* id refers to a short edge code */ /* find out length of edge */ //printf("SHORT EDGE ID %ld (bitlen %d)\n", pval, ht->ht_CodeLength); if(pval > 1) { edgelen = SHORTEDGEMAX; while(!(pval & (1UL << pg->pg_BitsUseTable[edgelen]))) { edgelen--; } pval -= 1UL << pg->pg_BitsUseTable[edgelen]; edgelen++; } else { edgelen = 1; } shortedge = TRUE; } else { /* long edge */ ht = FindHuffTreeID(pp->pp_LongEdgeLenTree, treeptr, bitpos); bitpos += ht->ht_CodeLength; edgelen = ht->ht_ID; //printf("LONG EDGE ID %ld (bitlen %d) ", edgelen, ht->ht_CodeLength); edgepos = ReadBits(treeptr, bitpos, pp->pp_LongRelPtrBits); bitpos += pp->pp_LongRelPtrBits; //printf("RELPTR %ld (bitlen %d)\n", edgepos, pp->pp_LongRelPtrBits); shortedge = FALSE; } tn = (struct TreeNode *) calloc(sizeof(struct TreeNode) + edgelen + 1, 1); /* fill in data */ tn->tn_PTPanPartition = pp; tn->tn_Pos = pos; tn->tn_NumLeaves = 0; tn->tn_EdgeLen = edgelen; tn->tn_Edge = (STRPTR) &tn->tn_Leaves; *tn->tn_Edge = 'X'; if(shortedge) /* decompress edge */ { //printf("Short %ld ", pval); cnt = edgelen; while(--cnt) { tn->tn_Edge[cnt] = pg->pg_DecompressTable[pval % pg->pg_AlphaSize]; pval /= pg->pg_AlphaSize; } } else { //printf("Long"); DecompressSequencePartTo(pg, pp->pp_LongDictRaw, edgepos, edgelen - 1, &tn->tn_Edge[1]); } /* decode branch array */ ht = FindHuffTreeID(pp->pp_BranchTree, treeptr, bitpos); bitpos += ht->ht_CodeLength; alphamask = ht->ht_ID; //printf("AlphaMask %lx (bitlen %d)\n", alphamask, ht->ht_CodeLength); for(cnt = 0; cnt < pg->pg_AlphaSize; cnt++) { if(alphamask & (1UL << cnt)) /* bit set? */ { mask = ReadBits(treeptr, bitpos, 4); //printf("Mask %lx\n", mask); if(mask >> 3) /* {1} */ { /* first bit is 1 (no "rel is next" pointer) */ if((mask >> 2) == 0x2) /* {10} */ { /* this is a 6 bit relative node pointer */ bitpos += 2; tn->tn_Children[cnt] = ReadBits(treeptr, bitpos, 6); bitpos += 6; } else if((mask >> 1) == 0x7) /* {111} */ { /* absolute leaf pointer */ bitpos += 3; tn->tn_Children[cnt] = LEAFMASK | ReadBits(treeptr, bitpos, pg->pg_TotalRawBits); bitpos += pg->pg_TotalRawBits; } else if(mask == 0xc) /* {1100} */ { /* this is a 11 bit relative node pointer */ bitpos += 4; tn->tn_Children[cnt] = ReadBits(treeptr, bitpos, 11); bitpos += 11; } else { /* {1101} */ /* this is a 27 bit relative node pointer */ bitpos += 4; tn->tn_Children[cnt] = ReadBits(treeptr, bitpos, 27); bitpos += 27; } } else { /* {0} */ /* rel is next pointer */ bitpos++; tn->tn_Children[cnt] = 0; } //printf("Child %08lx\n", children[cnt]); } } tn->tn_Size = (bitpos + 7) >> 3; /* add size and pos to relative pointers */ newbase = pos; for(cnt = 0; cnt < pg->pg_AlphaSize; cnt++) { if(alphamask & (1UL << cnt)) /* bit set? */ { if(!(tn->tn_Children[cnt] >> LEAFBIT)) { //printf("N[%08lx] ", children[cnt]); newbase += tn->tn_Children[cnt]; tn->tn_Children[cnt] = newbase; tn->tn_Children[cnt] += tn->tn_Size; #if 0 /* debug */ if((tn->tn_Children[cnt] > pp->pp_DiskTreeSize) || (pp->pp_DiskTree[tn->tn_Children[cnt]] != 0xf2)) { ULONG bc; printf("ARGH: [%08lx]: Child Pos %08lx for %ld out of range (%ld)!\n", pos, tn->tn_Children[cnt], cnt, pp->pp_DiskTreeSize); for(bc = 0; bc < 32; bc++) { printf("[%02x] ", treeptr[bc]); } printf("\n Size=%ld, Edge(%s %ld) = %s\n", tn->tn_Size, shortedge ? "Short" : "Long", pval, tn->tn_Edge); return(NULL); } #endif } } } return(tn); } /* \\\ */ /* /// "ReadPackedNodeNoEdge()" */ struct TreeNode * ReadPackedNodeNoEdge(struct PTPanPartition *pp, ULONG pos) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct TreeNode *tn; struct HuffTree *ht; ULONG bitpos = 0; UBYTE *treeptr = &pp->pp_DiskTree[pos]; ULONG edgelen; ULONG cnt; ULONG mask; ULONG pval; ULONG alphamask; ULONG newbase; /* read short edge tree */ ht = FindHuffTreeID(pp->pp_ShortEdgeTree, treeptr, bitpos); bitpos += ht->ht_CodeLength; pval = ht->ht_ID; /* this is the quick version -- no need to fully decode the edge */ if(pval) /* short edge */ { /* id refers to a short edge code */ /* find out length of edge */ if(pval > 1) { edgelen = SHORTEDGEMAX; while(!(pval & (1UL << pg->pg_BitsUseTable[edgelen]))) { edgelen--; } edgelen++; } else { edgelen = 1; } } else { /* long edge */ ht = FindHuffTreeID(pp->pp_LongEdgeLenTree, treeptr, bitpos); bitpos += ht->ht_CodeLength; edgelen = ht->ht_ID; bitpos += pp->pp_LongRelPtrBits; } tn = (struct TreeNode *) calloc(sizeof(struct TreeNode), 1); /* fill in data */ tn->tn_PTPanPartition = pp; tn->tn_Pos = pos; tn->tn_NumLeaves = 0; tn->tn_EdgeLen = edgelen; /* decode branch array */ ht = FindHuffTreeID(pp->pp_BranchTree, treeptr, bitpos); bitpos += ht->ht_CodeLength; alphamask = ht->ht_ID; for(cnt = 0; cnt < pg->pg_AlphaSize; cnt++) { if(alphamask & (1UL << cnt)) /* bit set? */ { mask = ReadBits(treeptr, bitpos, 4); if(mask >> 3) /* {1} */ { /* first bit is 1 (no "rel is next" pointer) */ if((mask >> 2) == 0x2) /* {10} */ { /* this is a 6 bit relative node pointer */ bitpos += 2; tn->tn_Children[cnt] = ReadBits(treeptr, bitpos, 6); bitpos += 6; } else if((mask >> 1) == 0x7) /* {111} */ { /* absolute leaf pointer */ bitpos += 3; tn->tn_Children[cnt] = LEAFMASK | ReadBits(treeptr, bitpos, pg->pg_TotalRawBits); bitpos += pg->pg_TotalRawBits; } else if(mask == 0xc) /* {1100} */ { /* this is a 11 bit relative node pointer */ bitpos += 4; tn->tn_Children[cnt] = ReadBits(treeptr, bitpos, 11); bitpos += 11; } else { /* {1101} */ /* this is a 27 bit relative node pointer */ bitpos += 4; tn->tn_Children[cnt] = ReadBits(treeptr, bitpos, 27); bitpos += 27; } } else { /* {0} */ /* rel is next pointer */ bitpos++; tn->tn_Children[cnt] = 0; } } } tn->tn_Size = (bitpos + 7) >> 3; /* add size and pos to relative pointers */ newbase = pos; for(cnt = 0; cnt < pg->pg_AlphaSize; cnt++) { if(alphamask & (1UL << cnt)) /* bit set? */ { if(!(tn->tn_Children[cnt] >> LEAFBIT)) { newbase += tn->tn_Children[cnt]; tn->tn_Children[cnt] = newbase; tn->tn_Children[cnt] += tn->tn_Size; } } } return(tn); } /* \\\ */ /* /// "ReadPackedLeaf()" */ struct TreeNode * ReadPackedLeaf(struct PTPanPartition *pp, ULONG pos) { //struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct TreeNode *tn; UBYTE *treeptr = &pp->pp_DiskTree[pos]; ULONG leaves = 0; UBYTE code; ULONG cnt; ULONG *lptr; LONG val; /* compression: msb == {1} -> 1 byte offset (- 63 - 63) msb == {01} -> 2 byte offset (- 8192 - 8191) msb == {001} -> 3 byte offset (- 2^20 - 2^20-1) msb == {0001} -> 4 byte offset (- 2^27 - 2^27-1) msb == {0000} -> 5 byte offset (- 2^35 - 2^35-1) */ /* get number of leaves first */ while((code = *treeptr) != 0xff) { leaves++; if(code >> 7) /* {1} */ { /* 1 byte */ treeptr++; } else if(code >> 6) /* {01} */ { /* 2 bytes */ treeptr += 2; } else if(code >> 5) /* {001} */ { /* 3 bytes */ treeptr += 3; } else if(code >> 4) /* {0001} */ { /* 4 bytes */ treeptr += 4; } else { /* {0000} */ /* 5 bytes */ treeptr += 5; } } treeptr++; tn = (struct TreeNode *) calloc(sizeof(struct TreeNode) + sizeof(ULONG) * leaves + 1 + 1, 1); /* fill in data */ tn->tn_PTPanPartition = pp; tn->tn_Pos = pos; tn->tn_Size = (ULONG) (treeptr - &pp->pp_DiskTree[pos]); tn->tn_NumLeaves = leaves; tn->tn_Edge = (STRPTR) &tn->tn_Leaves[leaves]; *tn->tn_Edge = 'X'; tn->tn_EdgeLen = 1; treeptr = &pp->pp_DiskTree[pos]; lptr = tn->tn_Leaves; while((code = *treeptr++) != 0xff) { if(code >> 7) /* {1} */ { /* 1 byte */ *lptr++ = (code & 0x7f) - 63; } else if(code >> 6) /* {01} */ { /* 2 bytes */ val = (code & 0x3f) << 8; val |= *treeptr++; *lptr++ = val - 8192; } else if(code >> 5) /* {001} */ { /* 3 bytes */ val = (code & 0x1f) << 8; val |= *treeptr++; val <<= 8; val |= *treeptr++; *lptr++ = val - (1L << 20); } else if(code >> 4) /* {0001} */ { /* 4 bytes */ val = (code & 0x0f) << 8; val |= *treeptr++; val <<= 8; val |= *treeptr++; val <<= 8; val |= *treeptr++; *lptr++ = val - (1L << 27); } else { /* {0000} */ /* 5 bytes */ val = (code & 0x0f) << 8; val |= *treeptr++; val <<= 8; val |= *treeptr++; val <<= 8; val |= *treeptr++; val <<= 8; val |= *treeptr++; *lptr++ = val - (1L << 35); } } /* double delta decode */ #ifdef DOUBLEDELTAOPTIONAL if(((LONG) *tn->tn_Leaves) < 0) { *tn->tn_Leaves = -(*tn->tn_Leaves); (*tn->tn_Leaves)++; #else { #endif #ifdef DOUBLEDELTALEAVES for(cnt = 2; cnt < leaves; cnt++) { tn->tn_Leaves[cnt] += tn->tn_Leaves[cnt-1]; } #endif #ifdef DOUBLEDELTAOPTIONAL } #else } #endif for(cnt = 1; cnt < leaves; cnt++) { tn->tn_Leaves[cnt] += tn->tn_Leaves[cnt-1]; arb_assert(tn->tn_Leaves[cnt] < pp->pp_PTPanGlobal->pg_TotalRawSize); } return(tn); } /* \\\ */ /* /// "WritePackedNode()" */ ULONG WritePackedNode(struct PTPanPartition *pp, ULONG pos, UBYTE *buf) { struct PTPanGlobal *pg = pp->pp_PTPanGlobal; struct SfxNode *sfxnode; ULONG childptr; UWORD childidx; ULONG val; ULONG bpos = 0; ULONG cnt; ULONG newbase; //*buf = 0xF2; bpos = 8; /* debugging */ sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; /* huffman code for short / long edge */ if(sfxnode->sn_StartPos & (1UL << 31)) { /* long edge */ /*printf("LE[%02d+%02d+%02d] ", pp->pp_ShortEdgeCode[0].hc_CodeLength, pp->pp_LongEdgeLenCode[sfxnode->sn_EdgeLen].hc_CodeLength, pp->pp_LongRelPtrBits);*/ bpos = WriteBits(buf, bpos, pp->pp_ShortEdgeCode[0].hc_Codec, pp->pp_ShortEdgeCode[0].hc_CodeLength); bpos = WriteBits(buf, bpos, pp->pp_LongEdgeLenCode[sfxnode->sn_EdgeLen].hc_Codec, pp->pp_LongEdgeLenCode[sfxnode->sn_EdgeLen].hc_CodeLength); bpos = WriteBits(buf, bpos, sfxnode->sn_StartPos & RELOFFSETMASK, pp->pp_LongRelPtrBits); } else if(sfxnode->sn_StartPos & (1UL << 30)) { /* short edge */ /*printf("SE[%04ld= %02d] ", sfxnode->sn_StartPos & RELOFFSETMASK, pp->pp_ShortEdgeCode[sfxnode->sn_StartPos & RELOFFSETMASK].hc_CodeLength);*/ bpos = WriteBits(buf, bpos, pp->pp_ShortEdgeCode[sfxnode->sn_StartPos & RELOFFSETMASK].hc_Codec, pp->pp_ShortEdgeCode[sfxnode->sn_StartPos & RELOFFSETMASK].hc_CodeLength); } else { if(pos == 0) { /* special root handling */ bpos = WriteBits(buf, bpos, pp->pp_ShortEdgeCode[1].hc_Codec, pp->pp_ShortEdgeCode[1].hc_CodeLength); } else { printf("Internal error: Tree corrupt at %ld (%08lx)\n", pos, sfxnode->sn_StartPos); } } /* branch code */ //printf("BC[%02d] ", pp->pp_BranchCode[sfxnode->sn_AlphaMask].hc_CodeLength); bpos = WriteBits(buf, bpos, pp->pp_BranchCode[sfxnode->sn_AlphaMask].hc_Codec, pp->pp_BranchCode[sfxnode->sn_AlphaMask].hc_CodeLength); /* child pointers */ /* msb = {0} -> rel is next msb = {10} -> 6 bit rel node ptr msb = {1100} -> 11 bit rel node ptr msb = {1101} -> 27 bit rel node ptr (large enough for a jump over 128 MB) msb = {111} -> nn bit abs leaf ptr (nn = pg->pg_TotalRawBits) */ cnt = sfxnode->sn_Parent >> RELOFFSETBITS; childidx = 0; newbase = 0; while(childidx < cnt) { childptr = sfxnode->sn_Children[childidx]; if(childptr >> LEAFBIT) { /* this is a leaf pointer */ //printf("LF[%08lx]\n", childptr); bpos = WriteBits(buf, bpos, 0x7, 3); bpos = WriteBits(buf, bpos, childptr & RELOFFSETMASK, pg->pg_TotalRawBits); } else { /* this is a normal node pointer */ val = childptr & RELOFFSETMASK; val -= newbase; newbase += val; //printf("Dist: %6ld\n", val); if(val == 0) { /* next */ //printf("NP[1] "); bpos = WriteBits(buf, bpos, 0x0, 1); } else { if(val < (1UL << 6)) { //printf("NP[8] "); bpos = WriteBits(buf, bpos, 0x2, 2); bpos = WriteBits(buf, bpos, val, 6); } else { if(val < (1UL << 11)) { //printf("NP[15] "); bpos = WriteBits(buf, bpos, 0xc, 4); bpos = WriteBits(buf, bpos, val, 11); } else { //printf("NP[31] "); bpos = WriteBits(buf, bpos, 0xd, 4); bpos = WriteBits(buf, bpos, val, 27); } } } } childidx++; } //printf("P[%08lx] %ld\n", pos, bpos); return((bpos + 7) >> 3); } /* \\\ */ /* /// "WritePackedLeaf()" */ ULONG WritePackedLeaf(struct PTPanPartition *pp, ULONG pos, UBYTE *buf) { struct SfxNode *sfxnode; ULONG leafcnt; ULONG cnt; LONG oldval; LONG val; ULONG leafsize = 1; ULONG sdleafsize = 1; UBYTE *origbuf = buf; sfxnode = (struct SfxNode *) &pp->pp_SfxNodes[pos]; /* how many leaves do we have? */ leafcnt = GetTreeStatsLeafCountRec(pp, pos); //printf("%ld leaves\n", leafcnt); /* enlarge memory, if too small */ if(pp->pp_LeafBufferSize < leafcnt) { pp->pp_LeafBuffer = (LONG *) realloc(pp->pp_LeafBuffer, leafcnt * sizeof(LONG)); pp->pp_LeafBufferSize = leafcnt; } pp->pp_LeafBufferPtr = pp->pp_LeafBuffer; /* collect leafs */ GetTreeStatsLeafCollectRec(pp, pos); if(leafcnt > 1) { qsort(pp->pp_LeafBuffer, leafcnt, sizeof(ULONG), (int (*)(const void *, const void *)) ULONGCompare); } /* do delta compression */ oldval = pp->pp_LeafBuffer[0]; arb_assert(pp->pp_LeafBuffer[0] < pp->pp_PTPanGlobal->pg_TotalRawSize); for(cnt = 1; cnt < leafcnt; cnt++) { arb_assert(pp->pp_LeafBuffer[cnt] < pp->pp_PTPanGlobal->pg_TotalRawSize); pp->pp_LeafBuffer[cnt] -= oldval; oldval += pp->pp_LeafBuffer[cnt]; //printf("%ld\n", pp->pp_LeafBuffer[cnt]); } #ifdef DOUBLEDELTALEAVES #ifdef DOUBLEDELTAOPTIONAL for(cnt = 0; cnt < leafcnt; cnt++) { val = pp->pp_LeafBuffer[cnt]; if((val < -63) || (val > 63)) { if((val < -8192) || (val > 8191)) { if((val < -(1L << 20)) || (val > ((1L << 20) - 1))) { if((val < -(1L << 27)) || (val > ((1L << 27) - 1))) { /* five bytes */ sdleafsize += 5; } else { /* four bytes */ sdleafsize += 4; } } else { /* three bytes */ sdleafsize += 3; } } else { /* two bytes */ sdleafsize += 2; } } else { /* one byte */ sdleafsize++; } } *pp->pp_LeafBuffer = -(*pp->pp_LeafBuffer); (*pp->pp_LeafBuffer)--; #endif /* do delta compression a second time */ if(leafcnt > 2) { oldval = pp->pp_LeafBuffer[1]; for(cnt = 2; cnt < leafcnt; cnt++) { pp->pp_LeafBuffer[cnt] -= oldval; oldval += pp->pp_LeafBuffer[cnt]; //printf("%ld\n", pp->pp_LeafBuffer[cnt]); } } #endif /* compression: msb == {1} -> 1 byte offset (- 63 - 63) msb == {01} -> 2 byte offset (- 8192 - 8191) msb == {001} -> 3 byte offset (- 2^20 - 2^20-1) msb == {0001} -> 4 byte offset (- 2^27 - 2^27-1) msb == {0000} -> 5 byte offset (- 2^35 - 2^35-1) special opcodes: 0xff -> end of array This means the upper limit is currently 512 MB for raw sequence data (this can be changed though: Just introduce another opcode) */ for(cnt = 0; cnt < leafcnt; cnt++) { val = pp->pp_LeafBuffer[cnt]; if((val < -63) || (val > 63)) { if((val < -8192) || (val > 8191)) { if((val < -(1L << 20)) || (val > ((1L << 20) - 1))) { if((val < -(1L << 27)) || (val > ((1L << 27) - 1))) { /* five bytes */ if((val < -(1L << 35)) || (val > ((1L << 35) - 1))) { printf("ERROR: %ld: %ld, %ld out of range\n", pos, cnt, val); } val += 1L << 35; *buf++ = (val >> 32) & 0x0f; *buf++ = (val >> 24); *buf++ = (val >> 16); *buf++ = (val >> 8); *buf++ = val; leafsize += 5; } else { /* four bytes */ val += 1L << 27; *buf++ = ((val >> 24) & 0x0f) | 0x10; *buf++ = (val >> 16); *buf++ = (val >> 8); *buf++ = val; leafsize += 4; } } else { /* three bytes */ val += 1L << 20; *buf++ = ((val >> 16) & 0x1f) | 0x20; *buf++ = (val >> 8); *buf++ = val; leafsize += 3; } } else { /* two bytes */ val += 8192; *buf++ = ((val >> 8) & 0x3f) | 0x40; *buf++ = val; leafsize += 2; } } else { /* one byte */ val += 63; *buf++ = (val & 0x7f) | 0x80; leafsize++; } } #ifdef DOUBLEDELTAOPTIONAL if(sdleafsize < leafsize) { /* undo double delta */ for(cnt = 2; cnt < leafcnt; cnt++) { pp->pp_LeafBuffer[cnt] += pp->pp_LeafBuffer[cnt-1]; } buf = origbuf; leafsize = sdleafsize; for(cnt = 0; cnt < leafcnt; cnt++) { val = pp->pp_LeafBuffer[cnt]; if((val < -63) || (val > 63)) { if((val < -8192) || (val > 8191)) { if((val < -(1L << 20)) || (val > ((1L << 20) - 1))) { if((val < -(1L << 27)) || (val > ((1L << 27) - 1))) { /* five bytes */ val += 1L << 35; *buf++ = (val >> 32) & 0x0f; *buf++ = (val >> 24); *buf++ = (val >> 16); *buf++ = (val >> 8); *buf++ = val; } else { /* four bytes */ val += 1L << 27; *buf++ = ((val >> 24) & 0x0f) | 0x10; *buf++ = (val >> 16); *buf++ = (val >> 8); *buf++ = val; } } else { /* three bytes */ val += 1L << 20; *buf++ = ((val >> 16) & 0x1f) | 0x20; *buf++ = (val >> 8); *buf++ = val; } } else { /* two bytes */ val += 8192; *buf++ = ((val >> 8) & 0x3f) | 0x40; *buf++ = val; } } else { /* one byte */ val += 63; *buf++ = (val & 0x7f) | 0x80; } } } #endif *buf = 0xff; return(leafsize); } /* \\\ */ /* /// "CloneSearchQuery()" */ struct SearchQuery * CloneSearchQuery(struct SearchQuery *oldsq) { struct SearchQuery *sq; sq = (struct SearchQuery *) calloc(sizeof(struct SearchQuery), 1); if(!sq) { return(NULL); } /* copy the whole information */ *sq = *oldsq; /* fix not cloneable stuff */ NewList(&sq->sq_Hits); sq->sq_HitsHash = NULL; sq->sq_PosWeight = new double[sq->sq_QueryLen + 1]; memcpy(sq->sq_PosWeight, oldsq->sq_PosWeight, (sq->sq_QueryLen + 1) * sizeof(double)); return(sq); } /* \\\ */ /* /// "AllocSearchQuery()" */ struct SearchQuery * AllocSearchQuery(struct PTPanGlobal *pg) { struct SearchQuery *sq; sq = (struct SearchQuery *) calloc(sizeof(struct SearchQuery), 1); if(!sq) { return(NULL); } NewList(&sq->sq_Hits); sq->sq_PTPanGlobal = pg; sq->sq_MismatchWeights = &pg->pg_NoWeights; sq->sq_MaxErrors = 0.0; sq->sq_Reversed = FALSE; sq->sq_AllowReplace = TRUE; sq->sq_AllowInsert = FALSE; sq->sq_AllowDelete = FALSE; sq->sq_KillNSeqsAt = 0x80000000; /* maximum */ sq->sq_MinorMisThres = 0.5; sq->sq_SortMode = SORT_HITS_NOWEIGHT; sq->sq_HitsHashSize = QUERYHITSHASHSIZE; sq->sq_HitsHash = NULL; sq->sq_PosWeight = NULL; return(sq); } /* \\\ */ /* /// "FreeSearchQuery()" */ void FreeSearchQuery(struct SearchQuery *sq) { struct QueryHit *qh; /* free hits */ qh = (struct QueryHit *) sq->sq_Hits.lh_Head; while(qh->qh_Node.ln_Succ) { RemQueryHit(qh); qh = (struct QueryHit *) sq->sq_Hits.lh_Head; } /* free hash table */ FreeHashArray(sq->sq_HitsHash); if (sq->sq_PosWeight) { delete[] sq->sq_PosWeight; sq->sq_PosWeight = NULL; } /* free structure itself */ free(sq); } /* \\\ */ /* /// "SearchTree()" */ void SearchTree(struct SearchQuery *sq) { if (PTPanGlobalPtr->pg_verbose >0) printf(">> SearchTree: Searching for %s\n", sq->sq_Query); /* init */ FreeHashArray(sq->sq_HitsHash); sq->sq_HitsHash = AllocHashArray(sq->sq_HitsHashSize); sq->sq_QueryLen = strlen(sq->sq_Query); sq->sq_NumHits = 0; NewList(&sq->sq_Hits); sq->sq_State.sqs_TreeNode = ReadPackedNode(sq->sq_PTPanPartition, 0); sq->sq_State.sqs_QueryPos = 0; sq->sq_State.sqs_ErrorCount = 0.0; sq->sq_State.sqs_ReplaceCount = 0; sq->sq_State.sqs_InsertCount = 0; sq->sq_State.sqs_DeleteCount = 0; sq->sq_State.sqs_NCount = 0; SearchTreeRec(sq); free(sq->sq_State.sqs_TreeNode); if (PTPanGlobalPtr->pg_verbose >0) printf("<< SearchTree\n"); } /* \\\ */ /* /// "PostFilterQueryHits()" */ void PostFilterQueryHits(struct SearchQuery *sq) { struct PTPanGlobal *pg = sq->sq_PTPanGlobal; struct PTPanSpecies *ps; struct QueryHit *qh; struct QueryHit *nextqh; if (PTPanGlobalPtr->pg_verbose >1) { printf(">> PostFilterQueryHits: Hits %ld\n", sq->sq_NumHits); } if(!sq->sq_NumHits) /* do we have hits at all? */ { return; } /* do we need to sort the list? */ if(sq->sq_NumHits > 1) { /* enter priority and sort */ qh = (struct QueryHit *) sq->sq_Hits.lh_Head; while(qh->qh_Node.ln_Succ) { qh->qh_Node.ln_Pri = qh->qh_AbsPos; qh = (struct QueryHit *) qh->qh_Node.ln_Succ; } SortList(&sq->sq_Hits); } /* get species, delete duplicates, delete alignment crossing hits */ qh = (struct QueryHit *) sq->sq_Hits.lh_Head; ps = (struct PTPanSpecies *) pg->pg_Species.lh_Head; while((nextqh = (struct QueryHit *) qh->qh_Node.ln_Succ)) { /* check if current species is still valid */ if((qh->qh_AbsPos < ps->ps_AbsOffset) || (qh->qh_AbsPos >= (ps->ps_AbsOffset + (ULLONG) ps->ps_RawDataSize))) { /* go to next node by chance */ ps = (struct PTPanSpecies *) ps->ps_Node.ln_Succ; if(ps->ps_Node.ln_Succ) { if((qh->qh_AbsPos < ps->ps_AbsOffset) || (qh->qh_AbsPos >= (ps->ps_AbsOffset + (ULLONG) ps->ps_RawDataSize))) { /* still didn't match, so find it using the hard way */ ps = (struct PTPanSpecies *) FindBinTreeLowerKey(pg->pg_SpeciesBinTree, qh->qh_AbsPos); } } else { ps = (struct PTPanSpecies *) FindBinTreeLowerKey(pg->pg_SpeciesBinTree, qh->qh_AbsPos); } } if((qh->qh_AbsPos < ps->ps_AbsOffset) || (qh->qh_AbsPos >= (ps->ps_AbsOffset + (ULLONG) ps->ps_RawDataSize))) { printf("Mist gebaut (%s(%ld) Pos: %ld, Len %ld HitPos %ld)!\n", ps->ps_Name, ps->ps_Num, ps->ps_AbsOffset, ps->ps_RawDataSize, qh->qh_AbsPos); } if (PTPanGlobalPtr->pg_verbose >1) { printf(" Hit %s (%ld) Pos: %ld, Len %ld HitPos %ld\n", ps->ps_Name, ps->ps_Num, ps->ps_AbsOffset, ps->ps_RawDataSize, qh->qh_AbsPos); } /* enter species */ qh->qh_Species = ps; /* filter alignment crossing hits */ if(qh->qh_AbsPos - ps->ps_AbsOffset > ps->ps_RawDataSize - sq->sq_QueryLen) { if (PTPanGlobalPtr->pg_verbose >1) { printf(" Border crossed [%ld/%ld]\n", qh->qh_AbsPos - ps->ps_AbsOffset, ps->ps_RawDataSize); } pg->pg_Bench.ts_CrossBoundKilled++; RemQueryHit(qh); } qh = nextqh; } } /* \\\ */ /* /// "AddQueryHit()" */ BOOL AddQueryHit(struct SearchQuery *sq, ULONG hitpos) { arb_assert(hitpos < sq->sq_PTPanGlobal->pg_TotalRawSize); struct QueryHit *qh; struct HashEntry *hash; if (PTPanGlobalPtr->pg_verbose >1) { struct TreeNode *tn; printf(">> AddQueryHit: "); tn = sq->sq_State.sqs_TreeNode; do { printf("%s", tn->tn_Edge); tn = tn->tn_Parent; if (tn) printf("-"); } while(tn); printf(" (%f/%d/%d/%d) QryPos %ld/%ld\n", sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount, sq->sq_State.sqs_QueryPos, sq->sq_QueryLen); } /* try eliminating duplicates even at this stage */ if((hash = GetHashEntry(sq->sq_HitsHash, hitpos))) { qh = (struct QueryHit *) hash->he_Data; if((qh->qh_AbsPos == hitpos + sq->sq_PTPanPartition->pp_RawOffset)) { /* check, if the new hit was better */ if(qh->qh_ErrorCount > sq->sq_State.sqs_ErrorCount) { qh->qh_ErrorCount = sq->sq_State.sqs_ErrorCount; qh->qh_ReplaceCount = sq->sq_State.sqs_ReplaceCount; qh->qh_InsertCount = sq->sq_State.sqs_InsertCount; qh->qh_DeleteCount = sq->sq_State.sqs_DeleteCount; if(sq->sq_Reversed) /* copy reversed flag */ { qh->qh_Flags |= QHF_REVERSED; } else { qh->qh_Flags &= ~QHF_REVERSED; } } /* if the hit was safe now, we can clear the unsafe bit */ if((sq->sq_State.sqs_QueryPos >= sq->sq_QueryLen)) { qh->qh_Flags &= ~QHF_UNSAFE; /* clear unsafe bit */ } return(TRUE); } } #if 0 // old stuff qh = (struct QueryHit *) sq->sq_Hits.lh_TailPred; if(qh->qh_Node.ln_Pred && (qh->qh_AbsPos == hitpos + sq->sq_PTPanPartition->pp_RawOffset)) { //printf("Duplicate!\n"); /* check, if the new hit was better */ if(qh->qh_ErrorCount > sq->sq_State.sqs_ErrorCount) { qh->qh_ErrorCount = sq->sq_State.sqs_ErrorCount; qh->qh_ReplaceCount = sq->sq_State.sqs_ReplaceCount; qh->qh_InsertCount = sq->sq_State.sqs_InsertCount; qh->qh_DeleteCount = sq->sq_State.sqs_DeleteCount; if(sq->sq_Reversed) /* copy reversed flag */ { qh->qh_Flags |= QHF_REVERSED; } else { qh->qh_Flags &= ~QHF_REVERSED; } } /* if the hit was safe now, we can clear the unsafe bit */ if((sq->sq_State.sqs_QueryPos >= sq->sq_QueryLen)) { qh->qh_Flags &= ~QHF_UNSAFE; /* clear unsafe bit */ } return(TRUE); } #endif qh = (struct QueryHit *) malloc(sizeof(struct QueryHit)); if(!qh) { return(FALSE); /* out of memory */ } sq->sq_NumHits++; /* add hit to array */ qh->qh_AbsPos = hitpos; qh->qh_AbsPos += sq->sq_PTPanPartition->pp_RawOffset; /* allow more than 2 GB */ qh->qh_ErrorCount = sq->sq_State.sqs_ErrorCount; qh->qh_ReplaceCount = sq->sq_State.sqs_ReplaceCount; qh->qh_InsertCount = sq->sq_State.sqs_InsertCount; qh->qh_DeleteCount = sq->sq_State.sqs_DeleteCount; qh->qh_Species = NULL; qh->qh_Flags = QHF_ISVALID; if(sq->sq_Reversed) /* set reversed flag */ { qh->qh_Flags |= QHF_REVERSED; } if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { qh->qh_Flags |= QHF_UNSAFE; } AddTail(&sq->sq_Hits, &qh->qh_Node); InsertHashEntry(sq->sq_HitsHash, hitpos, (ULONG) qh); if (PTPanGlobalPtr->pg_verbose >1) { struct TreeNode *tn; printf("<< AddQueryHit: %ld [%08lx] <%s>: ", qh->qh_AbsPos, qh->qh_AbsPos, sq->sq_PTPanPartition->pp_PrefixSeq); tn = sq->sq_State.sqs_TreeNode; do { printf("%s", tn->tn_Edge); tn = tn->tn_Parent; if (tn) printf("-"); } while(tn); printf(" (%f/%d/%d/%d)\n", qh->qh_ErrorCount, qh->qh_ReplaceCount, qh->qh_InsertCount, qh->qh_DeleteCount); } return(TRUE); } /* \\\ */ /* /// "RemQueryHit()" */ void RemQueryHit(struct QueryHit *qh) { /* unlink and free node */ Remove(&qh->qh_Node); free(qh); } /* \\\ */ /* /// "MergeQueryHits()" */ void MergeQueryHits(struct SearchQuery *tarsq, struct SearchQuery *srcsq) { struct QueryHit *srcqh = (struct QueryHit *) srcsq->sq_Hits.lh_Head; struct QueryHit *tarqh = (struct QueryHit *) tarsq->sq_Hits.lh_Head; struct QueryHit *lasttarqh = NULL; //(struct QueryHit *) tarqh->qh_Node.ln_Pred; /* iterate over source list */ while(srcqh->qh_Node.ln_Succ) { while(tarqh->qh_Node.ln_Succ) /* are we at the end of the list? */ { if(tarqh->qh_AbsPos > srcqh->qh_AbsPos) /* find the appropriate position */ { break; } lasttarqh = tarqh; /* this one is before srcqh */ tarqh = (struct QueryHit *) tarqh->qh_Node.ln_Succ; } //printf("Src: %ld\n", srcqh->qh_AbsPos); Remove(&srcqh->qh_Node); tarsq->sq_NumHits++; if(lasttarqh) /* is there a previous node to compare? */ { /* check for duplicate */ if(lasttarqh->qh_AbsPos == srcqh->qh_AbsPos) { //printf("Duplicate %ld!\n", lasttarqh->qh_AbsPos); tarsq->sq_PTPanGlobal->pg_Bench.ts_DupsKilled++; /* okay, this is a double -- which one do we keep? */ if(lasttarqh->qh_ErrorCount < srcqh->qh_ErrorCount) { /* the old target was a better hit, so eliminate the old one */ srcqh->qh_ErrorCount = lasttarqh->qh_ErrorCount; srcqh->qh_ReplaceCount = lasttarqh->qh_ReplaceCount; srcqh->qh_InsertCount = lasttarqh->qh_InsertCount; srcqh->qh_DeleteCount = lasttarqh->qh_DeleteCount; } /* remove the query hit */ RemQueryHit(lasttarqh); tarsq->sq_NumHits--; lasttarqh = (struct QueryHit *) tarqh->qh_Node.ln_Pred; if(!lasttarqh->qh_Node.ln_Pred) { /* we killed the very first entry */ //printf("Killed First!\n"); AddHead(&tarsq->sq_Hits, &srcqh->qh_Node); } else { //printf("Insert\n"); /* attach between lasttarqh and tarqh */ lasttarqh->qh_Node.ln_Succ = tarqh->qh_Node.ln_Pred = &srcqh->qh_Node; srcqh->qh_Node.ln_Pred = &lasttarqh->qh_Node; srcqh->qh_Node.ln_Succ = &tarqh->qh_Node; } } else { /* normal case: insert it between lasttarqh and tarqh */ lasttarqh->qh_Node.ln_Succ = tarqh->qh_Node.ln_Pred = &srcqh->qh_Node; srcqh->qh_Node.ln_Pred = &lasttarqh->qh_Node; srcqh->qh_Node.ln_Succ = &tarqh->qh_Node; } } else { /* we were at the start of the list */ //printf("AddHead %ld\n", srcqh->qh_AbsPos); AddHead(&tarsq->sq_Hits, &srcqh->qh_Node); } tarqh = lasttarqh = srcqh; srcqh = (struct QueryHit *) srcsq->sq_Hits.lh_Head; } tarsq->sq_PTPanGlobal->pg_Bench.ts_Hits += tarsq->sq_NumHits; //printf("%ld Hits\n", tarsq->sq_NumHits); } /* \\\ */ void PrintSearchQueryState(const char* s1, const char* s2, struct SearchQuery *sq) { static char seq[100]; int i = 0; struct TreeNode *tn; tn = sq->sq_State.sqs_TreeNode; do { i += sprintf(seq+i, "%s", tn->tn_Edge); tn = tn->tn_Parent; if (tn) i += sprintf(seq+i,"-"); } while(tn); seq[i] = 0; #if 0 if (strcmp(seq, "G-A-A-G-U-A-A-A-G-A-C-X")==0) { printf("STOP!!!\n"); } #endif if (PTPanGlobalPtr->pg_verbose >2) { printf("%s%s Src/Qry %ld/%ld: ", s1, s2, sq->sq_State.sqs_SourcePos, sq->sq_State.sqs_QueryPos); printf("%s (%f/%d/%d/%d)\n", seq, sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); } } /* /// "SearchTreeRec()" */ void SearchTreeRec(struct SearchQuery *sq) { struct PTPanGlobal *pg = sq->sq_PTPanGlobal; struct TreeNode *oldtn = sq->sq_State.sqs_TreeNode; struct TreeNode *tn; UWORD seqcode; UWORD seqcode2; UWORD seqcodetree; BOOL ignore; BOOL seqcompare; struct SearchQueryState oldstate; ULONG cnt; ULONG *leafptr; ULONG leaf; BOOL leafadded; const char* indent; if (PTPanGlobalPtr->pg_verbose >1) { const char* spaces = " "; indent = spaces + strlen(spaces) - sq->sq_State.sqs_QueryPos; } seqcompare = (sq->sq_State.sqs_QueryPos < sq->sq_QueryLen); /* collect leaves on our way down */ if((cnt = oldtn->tn_NumLeaves)) { /* collect hits */ leafptr = oldtn->tn_Leaves; do { AddQueryHit(sq, *leafptr++); } while(--cnt); /* if we got leaves, we're at the end of the tree */ return; } if (PTPanGlobalPtr->pg_verbose >1) PrintSearchQueryState(indent, "=> SearchTreeRec: ", sq); #if 1 /* Maximum tree level reached? * This is possible even without being a LEAF node, * when we reach the node via a long edge. (JW, 13.3.05) */ if(((ULONG) oldtn->tn_Level >= oldtn->tn_PTPanPartition->pp_TreePruneDepth) || ((ULONG) oldtn->tn_TreeOffset >= oldtn->tn_PTPanPartition->pp_TreePruneLength)) { AddQueryHit(sq, oldtn->tn_Children[0] & ~LEAFMASK); return; } #endif oldstate = sq->sq_State; /* recurse on children */ for(seqcode = 0; seqcode < pg->pg_AlphaSize; seqcode++) { /* check, if we have a child */ if((leaf = oldtn->tn_Children[seqcode])) { tn = NULL; leafadded = FALSE; if (PTPanGlobalPtr->pg_verbose >2) { printf("%s>> SearchChild [%d] ", indent, seqcode); if(leaf & LEAFMASK) printf("LEAF %ld\n", leaf & ~LEAFMASK); else printf("%ld\n", leaf); } /* *** phase one: check 1:1 replacement; this considers the hamming distance */ ignore = FALSE; if(seqcompare) { /* check, if first seqcode of edge matches (N (seqcode 0) matches always) */ seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; if(seqcode2 != seqcode) { if(sq->sq_AllowReplace) { /* increase error level by replace operation */ sq->sq_State.sqs_ReplaceCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Replace[(seqcode2 * ALPHASIZE) + seqcode] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; if(!seqcode) { if(++sq->sq_State.sqs_NCount > sq->sq_KillNSeqsAt) { ignore = TRUE; } } } else { ignore = TRUE; } } /* check, if more errors are tolerable. */ if(sq->sq_State.sqs_ErrorCount > sq->sq_MaxErrors) { /* too many errors, do not recurse */ ignore = TRUE; } sq->sq_State.sqs_QueryPos++; } /* should we take a deeper look? */ if(!ignore) { /* did we have a leaf? */ if(leaf & LEAFMASK) { AddQueryHit(sq, leaf & ~LEAFMASK); leafadded = TRUE; } else { /* get the child node */ tn = GoDownNodeChild(oldtn, seqcode); if (PTPanGlobalPtr->pg_verbose >2) { // debug if(!tn) { printf("%s Couldn't go down on %d!\n", indent, seqcode); break; } if(sq->sq_State.sqs_QueryPos == 1) { printf("%s Down: %s\n", indent, tn->tn_Edge); } } /* do we reach the end of the query with the first seqcode in the edge? */ if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { /* oooh, we have a longer edge, so check its contents before we follow it to the end */ if(tn->tn_EdgeLen > 1) { STRPTR tarptr = &tn->tn_Edge[1]; UBYTE tcode; while((tcode = *tarptr++)) { /* check, if codes are the same (or N is found) */ seqcodetree = pg->pg_CompressTable[tcode]; seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; if(seqcode2 != seqcodetree) { sq->sq_State.sqs_ReplaceCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Replace[seqcode2 * ALPHASIZE + seqcodetree] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; /* check, if more errors are tolerable. */ if(sq->sq_State.sqs_ErrorCount > sq->sq_MaxErrors) { /* too many errors, do not recurse */ ignore = TRUE; break; } if(!seqcodetree) { if(++sq->sq_State.sqs_NCount > sq->sq_KillNSeqsAt) { ignore = TRUE; break; } } } /* check if the end of the query string was reached */ if(++sq->sq_State.sqs_QueryPos >= sq->sq_QueryLen) { break; } } } } /* are we allowed to go any further down the tree? */ if(!ignore) { /* recurse */ sq->sq_State.sqs_TreeNode = tn; if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { SearchTreeRec(sq); } else { CollectTreeRec(sq); } } else { if (PTPanGlobalPtr->pg_verbose >2) printf("%s(%f >= %f)\n", indent, sq->sq_State.sqs_ErrorCount, sq->sq_MaxErrors); } } } /* *** phase two: check for adding a character in the query string */ /* this will be only done, if the inserting operation is allowed and we are not at the very beginning nor the end of the query (because then it will found without insert operation anyway) */ if(oldstate.sqs_QueryPos && (oldstate.sqs_QueryPos + 1 < sq->sq_QueryLen) && sq->sq_AllowInsert) { ignore = FALSE; sq->sq_State = oldstate; /* increase error level by insert operation */ sq->sq_State.sqs_InsertCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Insert[seqcode]; if(!seqcode) { if(++sq->sq_State.sqs_NCount > sq->sq_KillNSeqsAt) { sq->sq_State.sqs_ErrorCount = sq->sq_MaxErrors + 1.0; } } if(sq->sq_State.sqs_ErrorCount <= sq->sq_MaxErrors) { /* did we have a leaf? */ if(leaf & LEAFMASK) { if(!leafadded) /* don't add the same leaf twice! */ { AddQueryHit(sq, leaf & ~LEAFMASK); leafadded = TRUE; } } else { /* get the child node */ if(!tn) { tn = GoDownNodeChild(oldtn, seqcode); if (PTPanGlobalPtr->pg_verbose >2) { // debug if(!tn) { printf("%s Couldn't go down on %d!\n", indent, seqcode); break; } } } /* do we reach the end of the query with the first seqcode in the edge? */ if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { /* oooh, we have a longer edge, so check its contents before we follow it to the end */ if(tn->tn_EdgeLen > 1) { STRPTR tarptr = &tn->tn_Edge[1]; UBYTE tcode; while((tcode = *tarptr++)) { /* check, if codes are the same (or N is found) */ seqcodetree = pg->pg_CompressTable[tcode]; seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; if(seqcode2 != seqcodetree) { sq->sq_State.sqs_ReplaceCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Replace[seqcode2 * ALPHASIZE + seqcodetree] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; /* check, if more errors are tolerable. */ if(sq->sq_State.sqs_ErrorCount > sq->sq_MaxErrors) { /* too many errors, do not recurse */ ignore = TRUE; break; } if(!seqcodetree) { if(++sq->sq_State.sqs_NCount > sq->sq_KillNSeqsAt) { ignore = TRUE; break; } } } /* check if the end of the query string was reached */ if(++sq->sq_State.sqs_QueryPos >= sq->sq_QueryLen) { break; } } } } /* are we allowed to go any further down the tree? */ if(!ignore) { /* recurse */ sq->sq_State.sqs_TreeNode = tn; if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { SearchTreeRec(sq); } else { CollectTreeRec(sq); } } } } } /* *** phase three: check for deleting a character in the query string */ /* this will be only done, if we're not at the end of the string and the delete operation is allowed */ if(oldstate.sqs_QueryPos && (oldstate.sqs_QueryPos + 1 < sq->sq_QueryLen) && sq->sq_AllowDelete) { ignore = FALSE; sq->sq_State = oldstate; /* increase error level by delete operation */ sq->sq_State.sqs_DeleteCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Delete[pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]]; sq->sq_State.sqs_QueryPos++; if(sq->sq_State.sqs_ErrorCount <= sq->sq_MaxErrors) { /* check, if first seqcode of edge matches (N (seqcode 0) matches always) */ seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; if(seqcode2 != seqcode) { sq->sq_State.sqs_ReplaceCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Replace[(seqcode2 * ALPHASIZE) + seqcode] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; /* check, if more errors are tolerable. */ if(sq->sq_State.sqs_ErrorCount > sq->sq_MaxErrors) { /* too many errors, do not recurse */ ignore = TRUE; } } sq->sq_State.sqs_QueryPos++; } else { ignore = TRUE; } /* should we take a deeper look? */ if(!ignore) { /* did we have a leaf? */ if(leaf & LEAFMASK) { if(!leafadded) /* don't add the same leaf twice! */ { AddQueryHit(sq, leaf & ~LEAFMASK); } } else { /* get the child node */ if(!tn) { tn = GoDownNodeChild(oldtn, seqcode); #if 0 // debug if(!tn) { printf("%s Couldn't go down on %d!\n", indent, seqcode); break; } #endif } /* do we reach the end of the query with the first seqcode in the edge? */ if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { /* oooh, we have a longer edge, so check its contents before we follow it to the end */ if(tn->tn_EdgeLen > 1) { STRPTR tarptr = &tn->tn_Edge[1]; UBYTE tcode; while((tcode = *tarptr++)) { /* check, if codes are the same (or N is found) */ seqcodetree = pg->pg_CompressTable[tcode]; seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; if(seqcode2 != seqcodetree) { sq->sq_State.sqs_ReplaceCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Replace[seqcode2 * ALPHASIZE + seqcodetree] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; /* check, if more errors are tolerable. */ if(sq->sq_State.sqs_ErrorCount > sq->sq_MaxErrors) { /* too many errors, do not recurse */ ignore = TRUE; break; } if(!seqcodetree) { if(++sq->sq_State.sqs_NCount > sq->sq_KillNSeqsAt) { ignore = TRUE; break; } } } /* check if the end of the query string was reached */ if(++sq->sq_State.sqs_QueryPos >= sq->sq_QueryLen) { break; } } } } /* are we allowed to go any further down the tree? */ if(!ignore) { /* recurse */ sq->sq_State.sqs_TreeNode = tn; if(sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { SearchTreeRec(sq); } else { CollectTreeRec(sq); } } } } } if(tn) { /* clean up */ free(tn); } } /* restore possible altered data */ sq->sq_State = oldstate; } } /* \\\ */ /* /// "CollectTreeRec()" */ void CollectTreeRec(struct SearchQuery *sq) { struct PTPanGlobal *pg = sq->sq_PTPanGlobal; struct TreeNode *oldtn = sq->sq_State.sqs_TreeNode; struct TreeNode *tn; UWORD seqcode; ULONG cnt; ULONG *leafptr; ULONG leaf; const char* indent; if (PTPanGlobalPtr->pg_verbose >2) { const char* spaces = " "; indent = spaces + strlen(spaces) - sq->sq_State.sqs_QueryPos; } /* collect leaves on our way down */ if((cnt = oldtn->tn_NumLeaves)) { /* collect hits */ leafptr = oldtn->tn_Leaves; do { AddQueryHit(sq, *leafptr++); } while(--cnt); /* if we got leaves, we're at the end of the tree */ return; } if (PTPanGlobalPtr->pg_verbose >2) { struct TreeNode *tn; printf("%s=> CollectTreeRec: Src/Qry %ld/%ld: ", indent, sq->sq_State.sqs_SourcePos, sq->sq_State.sqs_QueryPos); tn = sq->sq_State.sqs_TreeNode; do { printf("%s", tn->tn_Edge); tn = tn->tn_Parent; if (tn) printf("-"); } while(tn); printf(" (%f/%d/%d/%d)\n", sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); } /* recurse on children */ for(seqcode = 0; seqcode < pg->pg_AlphaSize; seqcode++) { /* check, if we have a child */ if((leaf = oldtn->tn_Children[seqcode])) { if (PTPanGlobalPtr->pg_verbose >2) { printf("%s>> CollectChild [%d] ", indent, seqcode); if(leaf & LEAFMASK) printf("LEAF %ld\n", leaf & ~LEAFMASK); else printf("%ld\n", leaf); } /* did we have a leaf? */ if(leaf & LEAFMASK) { AddQueryHit(sq, leaf & ~LEAFMASK); } else { /* get the child node */ //tn = GoDownNodeChild(oldtn, seqcode); tn = GoDownNodeChildNoEdge(oldtn, seqcode); /* recurse */ sq->sq_State.sqs_TreeNode = tn; CollectTreeRec(sq); /* clean up */ free(tn); } } } sq->sq_State.sqs_TreeNode = oldtn; } /* \\\ */ /* /// "MatchSequence()" */ BOOL MatchSequence(struct SearchQuery *sq) { BOOL res; if (PTPanGlobalPtr->pg_verbose >0) printf(">> MatchSequence: Matching %s in %s\n", sq->sq_Query, sq->sq_SourceSeq); /* init */ sq->sq_QueryLen = strlen(sq->sq_Query); sq->sq_State.sqs_SourcePos = 0; sq->sq_State.sqs_QueryPos = 0; sq->sq_State.sqs_ErrorCount = 0.0; sq->sq_State.sqs_ReplaceCount = 0; sq->sq_State.sqs_InsertCount = 0; sq->sq_State.sqs_DeleteCount = 0; res = MatchSequenceRec(sq); if (PTPanGlobalPtr->pg_verbose >0) { if (res) { printf("<< MatchSequence: yes (%f/%d/%d/%d)\n", sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); } else { printf("<< MatchSequence:no\n"); } } return(res); } /* \\\ */ /* /// "MatchSequenceRec()" */ BOOL MatchSequenceRec(struct SearchQuery *sq) { struct PTPanGlobal *pg = sq->sq_PTPanGlobal; UWORD seqcode; UWORD seqcode2; BOOL ignore; struct SearchQueryState oldstate; if(!(sq->sq_SourceSeq[sq->sq_State.sqs_SourcePos])) { return(TRUE); /* end of source sequence reached */ } oldstate = sq->sq_State; seqcode = pg->pg_CompressTable[sq->sq_SourceSeq[sq->sq_State.sqs_SourcePos]]; seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; /* *** phase one: check 1:1 replacement; this considers the hamming distance */ ignore = FALSE; /* check, if first seqcode of edge matches (N (seqcode 0) matches always) */ if(seqcode2 != seqcode) { if(sq->sq_AllowReplace) { sq->sq_State.sqs_ReplaceCount++; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Replace[(seqcode2 * ALPHASIZE) + seqcode] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; } else { ignore = TRUE; } } /* check, if more errors are tolerable. */ if(sq->sq_State.sqs_ErrorCount > sq->sq_MaxErrors) { /* too many errors, do not recurse */ ignore = TRUE; } /* should we take a deeper look? */ if(!ignore) { /* do we reach the end of the query? */ if(++sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { /* recurse (actually, iterate) */ ++sq->sq_State.sqs_SourcePos; if(MatchSequenceRec(sq)) { return(TRUE); } } else { return(TRUE); } } /* *** phase two: check for adding a character in the query string */ /* this will be only done, if the inserting operation is allowed and we are not at the very beginning of the query (because then it will found without insert operation anyway) */ if(oldstate.sqs_QueryPos && (oldstate.sqs_QueryPos + 1 < sq->sq_QueryLen) && sq->sq_AllowInsert) { sq->sq_State = oldstate; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Insert[seqcode]; sq->sq_State.sqs_InsertCount++; if(sq->sq_State.sqs_ErrorCount <= sq->sq_MaxErrors) { /* recurse */ ++sq->sq_State.sqs_SourcePos; if(MatchSequenceRec(sq)) { return(TRUE); } } } /* *** phase three: check for deleting a character in the query string */ /* this will be only done, if we're neither at the beginning of the string nor the end of it and the delete operation is allowed */ if(oldstate.sqs_QueryPos && (oldstate.sqs_QueryPos + 1 < sq->sq_QueryLen) && sq->sq_AllowDelete) { sq->sq_State = oldstate; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Delete[seqcode2]; sq->sq_State.sqs_DeleteCount++; if(sq->sq_State.sqs_ErrorCount <= sq->sq_MaxErrors) { ++sq->sq_State.sqs_QueryPos; /* recurse */ if(MatchSequenceRec(sq)) { return(TRUE); } } } /* restore possible altered data */ sq->sq_State = oldstate; return(FALSE); } /* \\\ */ /* /// "FindSequenceMatch()" */ BOOL FindSequenceMatch(struct SearchQuery *sq, struct QueryHit *qh, STRPTR tarstr) { BOOL res; if (PTPanGlobalPtr->pg_verbose >0) { printf(">> FindSequenceMatch: Finding %s in %s [%ld] %s %f [%d/%d/%d] %s\n", sq->sq_Query, qh->qh_Species->ps_Name, qh->qh_AbsPos, sq->sq_SourceSeq, qh->qh_ErrorCount, qh->qh_ReplaceCount, qh->qh_InsertCount, qh->qh_DeleteCount, qh->qh_Flags & QHF_UNSAFE ? "(u)" : "(s)"); } /* init */ sq->sq_QueryLen = strlen(sq->sq_Query); sq->sq_State.sqs_SourcePos = 0; sq->sq_State.sqs_QueryPos = 0; sq->sq_State.sqs_ErrorCount = 0.0; sq->sq_State.sqs_ReplaceCount = 0; sq->sq_State.sqs_InsertCount = 0; sq->sq_State.sqs_DeleteCount = 0; res = FindSequenceMatchRec(sq, qh, tarstr); if (PTPanGlobalPtr->pg_verbose >0) { printf("<< FindSequenceMatch: "); if(res) { printf("yes %f [%d/%d/%d]\n", sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); } else { printf("no\n"); } } return(res); } /* \\\ */ /* /// "FindSequenceMatchRec()" */ BOOL FindSequenceMatchRec(struct SearchQuery *sq, struct QueryHit *qh, STRPTR tarptr) { struct PTPanGlobal *pg = sq->sq_PTPanGlobal; UWORD seqcode; UWORD seqcode2; BOOL ignore; struct SearchQueryState oldstate; STRPTR oldtarptr = tarptr; BOOL check; float misweight, maxweight; if(!(sq->sq_SourceSeq[sq->sq_State.sqs_SourcePos])) { return(TRUE); /* end of source sequence reached */ } oldstate = sq->sq_State; seqcode = pg->pg_CompressTable[sq->sq_SourceSeq[sq->sq_State.sqs_SourcePos]]; seqcode2 = pg->pg_CompressTable[sq->sq_Query[sq->sq_State.sqs_QueryPos]]; /* *** phase one: check 1:1 replacement; this considers the hamming distance */ ignore = FALSE; /* check, if first seqcode of edge matches (N (seqcode 0) matches always) */ if(seqcode2 != seqcode) { #ifdef ALLOWDOTSINMATCH if (sq->sq_SourceSeq[sq->sq_State.sqs_SourcePos] == '.') { sq->sq_State.sqs_ReplaceCount++; misweight = sq->sq_MismatchWeights->mw_Replace[(seqcode2 * ALPHASIZE) + SEQCODE_N] // '.' in match * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; // will be treated sq->sq_State.sqs_ErrorCount += misweight; // as 'N' if(tarptr) { *tarptr++ = '.'; *tarptr = 0; } } else #endif if(sq->sq_AllowReplace && (sq->sq_State.sqs_ReplaceCount < qh->qh_ReplaceCount)) { sq->sq_State.sqs_ReplaceCount++; misweight = sq->sq_MismatchWeights->mw_Replace[(seqcode2 * ALPHASIZE) + seqcode] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; sq->sq_State.sqs_ErrorCount += misweight; if(tarptr) /* write mismatching char */ { if(seqcode) /* only for A, C, G, T codes, not for N */ { maxweight = sq->sq_MismatchWeights->mw_Replace[(seqcode2 * ALPHASIZE) + pg->pg_ComplementTable[seqcode2]] * sq->sq_PosWeight[sq->sq_State.sqs_QueryPos]; /* is it a great mismatch? */ if(misweight > sq->sq_MinorMisThres) { /* output upper case letter */ *tarptr++ = pg->pg_DecompressTable[seqcode]; } else { /* output lower case letter */ *tarptr++ = pg->pg_DecompressTable[seqcode]|0x20; } } else { *tarptr++ = pg->pg_DecompressTable[seqcode]; } *tarptr = 0; } } else { ignore = TRUE; } } else { if(tarptr) /* write a '=' for a matching char */ { *tarptr++ = '='; *tarptr = 0; } } /* check, if more errors are tolerable. */ if ((sq->sq_State.sqs_ErrorCount - EPSILON) > qh->qh_ErrorCount) // don't compare floats directly! { /* too many errors, do not recurse */ ignore = TRUE; } /* should we take a deeper look? */ if(!ignore) { /* do we reach the end of the query? */ if(++sq->sq_State.sqs_QueryPos < sq->sq_QueryLen) { /* recurse (actually, iterate) */ ++sq->sq_State.sqs_SourcePos; check = FindSequenceMatchRec(sq, qh, tarptr); } else { check = TRUE; } if(check) { /* check error count */ if((fabs(sq->sq_State.sqs_ErrorCount - qh->qh_ErrorCount) < EPSILON) && // don't compare floats directly! (sq->sq_State.sqs_ReplaceCount == qh->qh_ReplaceCount) && (sq->sq_State.sqs_InsertCount == qh->qh_InsertCount) && (sq->sq_State.sqs_DeleteCount == qh->qh_DeleteCount)) { if (PTPanGlobalPtr->pg_verbose >1) printf("-- FindSequenceMatchRec: Found!\n"); return(TRUE); } } } if (PTPanGlobalPtr->pg_verbose >1) { int i; for(i=0;i<50;i++) if (*(tarptr-i)=='-') { printf(" After replacements: %s %f [%d/%d/%d]\n", tarptr-i, sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); break; } if (i==50) printf("-- FindSequenceMatchRec: ERROR: Start not found ?!\n"); } /* *** phase two: check for adding a character in the query string */ /* this will be only done, if the inserting operation is allowed and we are not at the very beginning of the query (because then it will found without insert operation anyway) */ if(oldstate.sqs_QueryPos && (oldstate.sqs_QueryPos + 1 < sq->sq_QueryLen) && sq->sq_AllowInsert && (sq->sq_State.sqs_InsertCount < qh->qh_InsertCount)) { tarptr = oldtarptr; sq->sq_State = oldstate; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Insert[seqcode]; sq->sq_State.sqs_InsertCount++; if(sq->sq_State.sqs_ErrorCount <= qh->qh_ErrorCount) { /* recurse */ ++sq->sq_State.sqs_SourcePos; if(tarptr) /* write mismatching char */ { tarptr[-1] = '*'; *tarptr = 0; } check = FindSequenceMatchRec(sq, qh, tarptr); } else { check = TRUE; } if(check) { /* check error count */ if((sq->sq_State.sqs_ErrorCount == qh->qh_ErrorCount) && (sq->sq_State.sqs_ReplaceCount == qh->qh_ReplaceCount) && (sq->sq_State.sqs_InsertCount == qh->qh_InsertCount) && (sq->sq_State.sqs_DeleteCount == qh->qh_DeleteCount)) { if (PTPanGlobalPtr->pg_verbose >1) printf("-- FindSequenceMatchRec: Found!\n"); return(TRUE); } } } if (PTPanGlobalPtr->pg_verbose >1) { int i; for(i=0;i<50;i++) if (*(tarptr-i)=='-') { printf(" After insertions: %s %f [%d/%d/%d]\n", tarptr-i, sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); break; } if (i==50) printf("-- FindSequenceMatchRec: ERROR: Start not found ?!\n"); } /* *** phase three: check for deleting a character in the query string */ /* this will be only done, if we're neither at the beginning of the string nor the end of it and the delete operation is allowed */ if(oldstate.sqs_QueryPos && (oldstate.sqs_QueryPos + 1 < sq->sq_QueryLen) && sq->sq_AllowDelete && (sq->sq_State.sqs_DeleteCount < qh->qh_DeleteCount)) { tarptr = oldtarptr; sq->sq_State = oldstate; sq->sq_State.sqs_ErrorCount += sq->sq_MismatchWeights->mw_Delete[seqcode2]; sq->sq_State.sqs_DeleteCount++; if(sq->sq_State.sqs_ErrorCount <= qh->qh_ErrorCount) { ++sq->sq_State.sqs_QueryPos; /* recurse */ if(tarptr) /* write char omission */ { *tarptr++ = '_'; *tarptr = 0; } check = FindSequenceMatchRec(sq, qh, tarptr); } else { check = TRUE; } if(check) { /* check error count */ if((sq->sq_State.sqs_ErrorCount == qh->qh_ErrorCount) && (sq->sq_State.sqs_ReplaceCount == qh->qh_ReplaceCount) && (sq->sq_State.sqs_InsertCount == qh->qh_InsertCount) && (sq->sq_State.sqs_DeleteCount == qh->qh_DeleteCount)) { if (PTPanGlobalPtr->pg_verbose >1) printf("-- FindSequenceMatchRec: Found!\n"); return(TRUE); } } } /* restore possible altered data */ sq->sq_State = oldstate; if (PTPanGlobalPtr->pg_verbose >1) { int i; for(i=0;i<50;i++) if (*(tarptr-i)=='-') { printf(" After deletions: %s %f [%d/%d/%d]\n", tarptr-i, sq->sq_State.sqs_ErrorCount, sq->sq_State.sqs_ReplaceCount, sq->sq_State.sqs_InsertCount, sq->sq_State.sqs_DeleteCount); break; } if (i==50) printf("-- FindSequenceMatchRec: ERROR: Start not found ?!\n"); } return(FALSE); } /* \\\ */ ./arbsrc_9167/ptpan/types.h0000644012664100000130000000260711213220012015563 0ustar arb_buildcoders/************************************************************************ Standard type definitions Written by Chris Hodges . Last change: 03.06.03 ************************************************************************/ #ifndef TYPES_H #define TYPES_H #ifndef VOID #define VOID void #endif typedef void *APTR; // 32-bit untyped pointer typedef long long LLONG; // signed 64-bit quantity typedef unsigned long long ULLONG; // unsigned 64-bit quantity typedef long LONG; // signed 32-bit quantity typedef unsigned long ULONG; // unsigned 32-bit quantity typedef unsigned long LONGBITS; // 32 bits manipulated individually typedef short WORD; // signed 16-bit quantity typedef unsigned short UWORD; // unsigned 16-bit quantity typedef unsigned short WORDBITS; // 16 bits manipulated individually typedef signed char BYTE; // signed 8-bit quantity typedef unsigned char UBYTE; // unsigned 8-bit quantity typedef unsigned char BYTEBITS; // 8 bits manipulated individually typedef char *STRPTR; // string pointer (NULL terminated) typedef short BOOL; #ifndef TRUE #define TRUE 1 #endif #ifndef FALSE #define FALSE 0 #endif #ifndef NULL #define NULL 0L #endif #endif // TYPES_H ./arbsrc_9167/README0000644012664100000130000000131511213220016014003 0ustar arb_buildcoders ************************************************************ ***** Welcome to the 'ARB' Sequence Database Tools ***** ************************************************************ ************ Hardware and System Requirements ************** As ARB is still under construction, there are only a limited number of operating systems which can run ARB. Today it is available for: Linux for PC Max OS (not supplied by ARB-Team) ************************* Please read **************************** ******************************** **** arb_README **** ******************************** ./arbsrc_9167/READSEQ/Formats0000644012664100000130000011433711440742777015607 0ustar arb_buildcoders||||||||||| ReadSeq supported formats (revised 30Dec92) -------------------------------------------------------- -f[ormat=]Name Format name for output: 1. IG/Stanford 10. Olsen (in-only) 2. GenBank/GB 11. Phylip3.2 3. NBRF 12. Phylip 4. EMBL 13. Plain/Raw 5. GCG 14. PIR/CODATA 6. DNAStrider 15. MSF 7. Fitch 16. ASN.1 8. Pearson/Fasta 17. PAUP 9. Zuker (in-only) 18. Pretty (out-only) In general, output supports only minimal subsets of each format needed for sequence data exchanges. Features, descriptions and other format-unique information is discarded. Users of Olsen multi sequence editor (VMS). The Olsen format here is produced with the print command: print/out=some.file Use Genbank output from readseq to produce a format that this editor can read, and use the command load/genbank some.file Dan Davison has a VMS program that will convert to/from the Olsen native binary data format. E-mail davison@uh.edu Warning: Phylip format input is now supported (30Dec92), however the auto-detection of Phylip format is very probabilistic and messy, especially distinguishing sequential from interleaved versions. It is not recommended that one use readseq to convert files from Phylip format to others unless essential. ||||||||||| ReadSeq usage (revised 11Nov91) -------------------------------------------------------- A. determine file format: short skiplines; /* result: number of header lines to skip (or 0) */ short error; /* error result or 0 */ short format; /* resulting format code, see ureadseq.h */ char *filename = "Mysequence.file" format = seqFileFormat( filename, &skiplines, &error); if (error!=0) fail; B. read number and list of sequences (optional) short numseqs; /* resulting number of sequences found in file */ char *seqlist; /* list of sequence names, newline separated, 0 terminated */ seqlist = listSeqs( filename, skiplines, format, &numseqs, &error); if (error!=0) display (seqlist); free( seqlist); C. read individual sequences as desired short seqIndex; /* sequence index #, or == kListSeqs for listSeqs equivalent */ long seqlen; /* length of seq */ char seqid[256]; /* sequence name */ char *seq; /* sequence, 0 terminated, free when done */ seq = readSeq( seqIndex, filename, skiplines, format, &seqlen, &numseqs, &error, seqid); if (error!=0) manipulate(seq); free(seq); D. write sequences as desired int nlines; /* number of lines of sequence written */ FILE* fout; /* open file pointer (stdout or other) */ short outform; /* output format, see ureadseq.h */ nlines = writeSeq( fout, seq, seqlen, format, outform, seqid); Note (30Dec92): There is various processing done by the main program (in readseq.c), rather than just in the subroutines (in ureadseq.c). Especially for interleaved output formats, the writeSeq subroutine does not handle interleaving, nor some of the formatting at the top and end of output files. While seqFileFormat, listSeqs, and readSeq subroutines are fairly self-contained, the writeSeq depends a lot on auxilliary processing. At some point, this may be revised so writeSeq is self- contained. Note 2: The NCBI toolkit (ftp from ncbi.nlm.nih.gov) is needed for the ASN.1 format reading (see ureadasn.c). A bastard (but workable I hope) ASN.1 format is written by writeSeq alone. ||||||||||| sequence formats.... --------------------------------------------------- stanford/IG ;comments ;... seq1 info abcd... efgh1 (or 2 = terminator) ;another seq ;.... seq2 info abcd...1 --- for e.g. ---- ; Dro5s-T.Seq Length: 120 April 6, 1989 21:22 Check: 9487 .. dro5stseq GCCAACGACCAUACCACGCUGAAUACAUCGGUUCUCGUCCGAUCACCGAAAUUAAGCAGCGUCGCGGGCG GUUAGUACUUAGAUGGGGGACCGCUUGGGAACACCGCGUGUUGUUGGCCU1 ; TOIG of: Dro5srna.Seq check: 9487 from: 1 to: 120 --------------------------------------------------- Genbank: LOCUS seq1 ID.. ... ORIGIN ... 123456789abcdefg....(1st 9 columns are formatting) hijkl... // (end of sequence) LOCUS seq2 ID .. ... ORIGIN abcd... // --------------------------------------------------- NBRF format: (from uwgcg ToNBRF) >DL;DRO5SRNA Iubio$Dua0:[Gilbertd.Gcg]Dro5srna.Seq;2 => DRO5SRNA 51 AAUUAAGCAG CGUCGCGGGC GGUUAGUACU UAGAUGGGGG ACCGCUUGGG 101 AACACCGCGU GUUGUUGGCC U --------------------------------------------------- EMBL format ID345 seq1 id (the 345 are spaces) ... other info SQ345Sequence (the 3,4,5 are spaces) abcd... hijk... // (! this is proper end string: 12Oct90) ID seq2 id ... SQ Sequence abcd... ... // --------------------------------------------------- UW GCG Format: comments of any form, up to ".." signal signal line has seq id, and " Check: #### .." only 1 seq/file -- e.g. --- (GCG from GenBank) LOCUS DROEST6 1819 bp ss-mRNA INV 31-AUG-1987 ... much more ... ORIGIN 1 bp upstream of EcoRI site; chromosome BK9 region 69A1. INVERTEBRATE:DROEST6 Length: 1819 January 9, 1989 16:48 Check: 8008 .. 1 GAATTCGCCG GAGTGAGGAG CAACATGAAC TACGTGGGAC TGGGACTTAT 51 CATTGTGCTG AGCTGCCTTT GGCTCGGTTC GAACGCGAGT GATACAGATG --------------------------------------------------- DNAStrider (Mac) = modified Stanford: ; ### from DNA Strider Friday, April 7, 1989 11:04:24 PM ; DNA sequence pBR322 4363 b.p. complete sequence ; abcd... efgh // (end of sequence) --------------------------------------------------- Fitch format: Dro5srna.Seq GCC AAC GAC CAU ACC ACG CUG AAU ACA UCG GUU CUC GUC CGA UCA CCG AAA UUA AGC AGC GUC GCG GGC GGU UAG UAC UUA GAU GGG GGA CCG CUU GGG AAC ACC GCG UGU UGU UGG CCU Droest6.Seq GAA TTC GCC GGA GTG AGG AGC AAC ATG AAC TAC GTG GGA CTG GGA CTT ATC ATT GTG CTG AGC TGC CTT TGG CTC GGT TCG AAC GCG AGT GAT ACA GAT GAC CCT CTG TTG GTG CAG CTG --------------------------------------------------- W.Pearson/Fasta format: >BOVPRL GenBank entry BOVPRL from omam file. 907 nucleotides. TGCTTGGCTGAGGAGCCATAGGACGAGAGCTTCCTGGTGAAGTGTGTTTCTTGAAATCAT --------------------------------------------------- Phylip version 3.2 format (e.g., DNAML): 5 13 YF (# seqs, #bases, YF) Alpha AACGTGGCCAAAT aaaagggccc... (continued sp. alpha) Beta AAGGTCGCCAAAC aaaagggccc... (continued sp. beta) Gamma CATTTCGTCACAA aaaagggccc... (continued sp. Gamma) 1234567890^-- bases must start in col 11, and run 'til #bases (spaces & newlines are okay) --------------------------------------------------- Phylip version 3.3 format (e.g., DNAML): 5 42 YF (# seqs, #bases, YF) Turkey AAGCTNGGGC ATTTCAGGGT Salmo gairAAGCCTTGGC AGTGCAGGGT H. SapiensACCGGTTGGC CGTTCAGGGT Chimp AAACCCTTGC CGTTACGCTT Gorilla AAACCCTTGC CGGTACGCTT 1234567890^-- bases must start in col 11 !! this version interleaves the species -- contrary to all other output formats. GAGCCCGGGC AATACAGGGT AT GAGCCGTGGC CGGGCACGGT AT ACAGGTTGGC CGTTCAGGGT AA AAACCGAGGC CGGGACACTC AT AAACCATTGC CGGTACGCTT AA --------------------------------------------------- Phylip version 3.4 format (e.g., DNAML) -- Both Interleaved and sequential are permitted 5 13 (# seqs, #bases) Alpha AACGTGGCCAAAT aaaagggccc... (continued sp. alpha) Beta AAGGTCGCCAAAC aaaagggccc... (continued sp. beta) Gamma CATTTCGTCACAA aaaagggccc... (continued sp. Gamma) 1234567890^-- bases must start in col 11, and run 'til #bases (spaces, newlines and numbers are are ignored) --------------------------------------------------- Gary Olsen (multiple) sequence editor /print format: !--------------------- !17Oct91 -- error in original copy of olsen /print format, shifted right 1 space ! here is correct copy: 301 40 Tb.thiop CGCAGCGAAA----------GCUNUGCUAAUACCGCAUA-CGnCCUG----------------------------------------------------- Tb.thiop 123456789012345678901 301 42 Rhc.purp CGUAGCGAAA----------GUUACGCUAAUACCGCAUA-UUCUGUG----------------------------------------------------- Rhc.purp 301 44 Rhc.gela nnngnCGAAA----------GCCGGAUUAAUACCGCAUA-CGACCUA----------------------------------------------------- Rhc.gela !--------------------- RNase P RNA components. on 20-FEB-90 17:23:58 1 (E.c. pr ): Base pairing in Escherichia coli RNase P RNA. 2 (chrom ): Chromatium : 12 (B.brevis): Bacillus brevis RNase P RNA, B. James. 13 ( 90% con): 90% conserved 14 (100% con): 100% conserved 15 (gram+ pr): pairing 1 RNase P RNA components. on 20-FEB-90 17:23:58 Posi- Sequence tion: identity: Data: 1 1 E.c. pr <<<<<<<<<< {{{{{{{{<<:<<<<<<<<<<^<<<<<<====>>>> E.c. pr 1 2 chrom GGAGUCGGCCAGACAGUCGCUUCCGUCCU------------------ chrom : 1 12 B.brevis AUGCAGGAAAUGCGGGUAGCCGCUGCCGCAAUCGUCU------------- B.brevis 1234567890123456789012 >>>>>^>>^>>>>:>> <<<^<<<< {{{{{ E.c. pr 60 2 chrom -----GGUG-ACGGGGGAGGAAAGUCCGG-GCUCCAU------------- chrom : : 60 10 B.stearo ----UU-CG-GCCGUAGAGGAAAGUCCAUGCUCGCACGGUGCUGAGAUGC B.stearo --------------------------------------------------- GCG MSF format Title line picorna.msf MSF: 100 Type: P January 17, 1991 17:53 Check: 541 .. Name: Cb3 Len: 100 Check: 7009 Weight: 1.00 Name: E Len: 100 Check: 60 Weight: 1.00 // 1 50 Cb3 ...gpvedai .......t.. aaigr..vad tvgtgptnse aipaltaaet E gvenae.kgv tentna.tad fvaqpvylpe .nqt...... kv.affynrs 51 100 Cb3 ghtsqvvpgd tmqtrhvkny hsrsestien flcrsacvyf teykn..... E ...spi.gaf tvks...... gs.lesgfap .fsngtc.pn sviltpgpqf --------------------------------------------------- PIR format This is NBRF-PIR MAILSERVER version 1.45 Command-> get PIR3:A31391 \\\ ENTRY A31391 #Type Protein TITLE *Esterase-6 - Fruit fly (Drosophila melanogaster) DATE 03-Aug-1992 #Sequence 03-Aug-1992 #Text 03-Aug-1992 PLACEMENT 0.0 0.0 0.0 0.0 0.0 COMMENT *This entry is not verified. SOURCE Drosophila melanogaster REFERENCE #Authors Cooke P.H., Oakeshott J.G. #Citation submitted to GenBank, April 1989 #Reference-number A31391 #Accession A31391 #Cross-reference GB:J04167 SUMMARY #Molecular-weight 61125 #Length 544 #Checksum 1679 SEQUENCE 5 10 15 20 25 30 1 M N Y V G L G L I I V L S C L W L G S N A S D T D D P L L V 31 Q L P Q G K L R G R D N G S Y Y S Y E S I P Y A E P P T G D 61 L R F E A P E P Y K Q K W S D I F D A T K T P V A C L Q W D 91 Q F T P G A N K L V G E E D C L T V S V Y K P K N S K R N S 121 F P V V A H I H G G A F M F G A A W Q N G H E N V M R E G K 151 F I L V K I S Y R L G P L G F V S T G D R D L P G N Y G L K 181 D Q R L A L K W I K Q N I A S F G G E P Q N V L L V G H S A 211 G G A S V H L Q M L R E D F G Q L A R A A F S F S G N A L D 241 P W V I Q K G A R G R A F E L G R N V G C E S A E D S T S L 271 K K C L K S K P A S E L V T A V R K F L I F S Y V P F A P F 301 S P V L E P S D A P D A I I T Q D P R D V I K S G K F G Q V 331 P W A V S Y V T E D G G Y N A A L L L K E R K S G I V I D D 361 L N E R W L E L A P Y L L F Y R D T K T K K D M D D Y S R K 391 I K Q E Y I G N Q R F D I E S Y S E L Q R L F T D I L F K N 421 S T Q E S L D L H R K Y G K S P A Y A Y V Y D N P A E K G I 451 A Q V L A N R T D Y D F G T V H G D D Y F L I F E N F V R D 481 V E M R P D E Q I I S R N F I N M L A D F A S S D N G S L K 511 Y G E C D F K D N V G S E K F Q L L A I Y I D G C Q N R Q H 541 V E F P /// \\\ --------------------------------------------------- PAUP format: The NEXUS Format Every block starts with "BEGIN blockname;" and ends with "END;". Each block is composed of one or more statements, each terminated by a semicolon (;). Comments may be included in NEXUS files by enclosing them within square brackets, as in "[This is a comment]." NEXUS-conforming files are identified by a "#NEXUS" directive at the very beginning of the file (line 1, column 1). If the #NEXUS is omitted PAUP issues a warning but continues processing. NEXUS files are entirely free-format. Blanks, tabs, and newlines may be placed anywhere in the file. Unless RESPECTCASE is requested, commands and data may be entered in upper case, lower case, or a mixture of upper and lower case. The following conventions are used in the syntax descriptions of the various blocks. Upper-case items are entered exactly as shown. Lower-case items inside of angle brackets -- e.g., -- represent items to be substituted by the user. Items inside of square brackets -- e.g., [X] -- are optional. Items inside of curly braces and separated by vertical bars -- e.g., { X | Y | Z } -- are mutually exclusive options. The DATA Block The DATA block contains the data matrix and other associated information. Its syntax is: BEGIN DATA; DIMENSIONS NTAX= NCHAR=; [ FORMAT [ MISSING= ] [ LABELPOS={ LEFT | RIGHT } ] [ SYMBOLS="" ] [ INTERLEAVE ] [ MATCHCHAR= ] [ EQUATE="= [=...]" ] [ TRANSPOSE ] [ RESPECTCASE ] [ DATATYPE = { STANDARD | DNA | RNA | PROTEIN } ]; ] [ OPTIONS [ IGNORE={ INVAR | UNINFORM } ] [ MSTAXA = { UNCERTAIN | POLYMORPH | VARIABLE } ] [ ZAP = "" ] ; ] [ CHARLABELS ; ] [ TAXLABELS ; ] [ STATELABELS ; ] MATRIX ; END; --- example PAUP file #NEXUS [!Brown et al. (1982) primate mitochondrial DNA] begin data; dimensions ntax=5 nchar=896; format datatype=dna matchchar=. interleave missing='-'; matrix [ 2 4 6 8 ] [ 1 1 1 1 1 ] human aagcttcaccggcgcagtca ttctcataatcgcccacggR cttacatcctcattactatt ctgcctagcaaactcaaact acgaacgcactcacagtcgc chimp ................a.t. .c.................a ...............t.... ..................t. .t........c......... gorilla ..................tg ....t.....t........a ........a......t.... .................... .......a..c.....c... orang ................ac.. cc.....g..t.....t..a ..c........cc....g.. .................... .......a..c.....c... gibbon ......t..a..t...ac.g .c.................a ..a..c..t..cc.g..... ......t............. .......a........c... [ 8 8 8 8 8 8 ] [ 0 2 4 6 8 9 ] [ 1 1 1 1 1 6 ] human cttccccacaacaatattca tgtgcctagaccaagaagtt attatctcgaactgacactg agccacaacccaaacaaccc agctctccctaagctt chimp t................... .a................c. ........a.....g..... ...a................ ................ gorilla ..................tc .a................c. ........a.g......... ...a.............tt. .a.............. orang ta....a...........t. .c.......ga......acc ..cg..a.a......tg... .a.a..c.....g...cta. .a.....a........ gibbon a..t.......t........ ....ac...........acc .....t..a........... .a.tg..........gctag .a.............. ; end; --------------------------------------------------- ||||||||||| Sample SMTP mail header --------------------------------------------------- - - - - - - - - - From GenBank-Retrieval-System@genbank.bio.net Sun Nov 10 17:28:56 1991 Received: from genbank.bio.net by sunflower.bio.indiana.edu (4.1/9.5jsm) id AA19328; Sun, 10 Nov 91 17:28:55 EST Received: by genbank.bio.net (5.65/IG-2.0) id AA14458; Sun, 10 Nov 91 14:30:03 -0800 Date: Sun, 10 Nov 91 14:30:03 -0800 Message-Id: <9111102230.AA14458@genbank.bio.net> From: Database Server To: gilbertd@sunflower.bio.indiana.edu Subject: Results of Query for drorna Status: R No matches on drorna. - - - - - - From GenBank-Retrieval-System@genbank.bio.net Sun Nov 10 17:28:49 1991 Received: from genbank.bio.net by sunflower.bio.indiana.edu (4.1/9.5jsm) id AA19323; Sun, 10 Nov 91 17:28:47 EST Received: by genbank.bio.net (5.65/IG-2.0) id AA14461; Sun, 10 Nov 91 14:30:03 -0800 Date: Sun, 10 Nov 91 14:30:03 -0800 Message-Id: <9111102230.AA14461@genbank.bio.net> From: Database Server To: gilbertd@sunflower.bio.indiana.edu Subject: Results of Query for droest6 Status: R LOCUS DROEST6 1819 bp ss-mRNA INV 31-AUG-1987 DEFINITION D.melanogaster esterase-6 mRNA, complete cds. ACCESSION M15961 ||||||||||| GCG manual discussion of sequence symbols: --------------------------------------------------- III_SEQUENCE_SYMBOLS GCG programs allow all upper and lower case letters, periods (.), asterisks (*), pluses (+), ampersands (&), and ats (@) as symbols in biological sequences. Nucleotide symbols, their complements, and the standard one-letter amino acid symbols are shown below in separate lists. The meanings of the symbols +, &, and @ have not been assigned at this writing (March, 1989). GCG uses the letter codes for amino acid codes and nucleotide ambiguity proposed by IUB (Nomenclature Committee, 1985, Eur. J. Biochem. 150; 1-5). These codes are compatible with the codes used by the EMBL, GenBank, and NBRF data libraries. NUCLEOTIDES The meaning of each symbol, its complement, and the Cambridge and Stanford equivalents are shown below. Cambridge files can be converted into GCG files and vice versa with the programs FROMSTADEN and TOSTADEN. IntelliGenetics sequence files can be interconverted with the programs FROMIG and TOIG. IUB/GCG Meaning Complement Staden/Sanger Stanford A A T A A C C G C C G G C G G T/U T A T T/U M A or C K 5 J R A or G Y R R W A or T W 7 L S C or G S 8 M Y C or T R Y Y K G or T M 6 K V A or C or G B not supported N H A or C or T D not supported N D A or G or T H not supported N B C or G or T V not supported N X/N G or A or T or C X -/X N . not G or A or T or C . not supported ? The frame ambiguity codes used by Staden are not supported by GCG and are translated by FROMSTADEN as the lower case single base equivalent. Staden Code Meaning GCG D C or CC c V T or TT t B A or AA a H G or GG g K C or CX c L T or TX t M A or AX a N G or GX g AMINO ACIDS Here is a list of the standard one-letter amino acid codes and their three-letter equivalents. The synonymous codons and their depiction in the IUB codes are shown. You should recognize that the codons following semicolons (;) are not sufficiently specific to define a single amino acid even though they represent the best possible back translation into the IUB codes! All of the relationships in this list can be redefined by the user in a local data file described below. IUB Symbol 3-letter Meaning Codons Depiction A Ala Alanine GCT,GCC,GCA,GCG !GCX B Asp,Asn Aspartic, Asparagine GAT,GAC,AAT,AAC !RAY C Cys Cysteine TGT,TGC !TGY D Asp Aspartic GAT,GAC !GAY E Glu Glutamic GAA,GAG !GAR F Phe Phenylalanine TTT,TTC !TTY G Gly Glycine GGT,GGC,GGA,GGG !GGX H His Histidine CAT,CAC !CAY I Ile Isoleucine ATT,ATC,ATA !ATH K Lys Lysine AAA,AAG !AAR L Leu Leucine TTG,TTA,CTT,CTC,CTA,CTG !TTR,CTX,YTR;YTX M Met Methionine ATG !ATG N Asn Asparagine AAT,AAC !AAY P Pro Proline CCT,CCC,CCA,CCG !CCX Q Gln Glutamine CAA,CAG !CAR R Arg Arginine CGT,CGC,CGA,CGG,AGA,AGG !CGX,AGR,MGR;MGX S Ser Serine TCT,TCC,TCA,TCG,AGT,AGC !TCX,AGY;WSX T Thr Threonine ACT,ACC,ACA,ACG !ACX V Val Valine GTT,GTC,GTA,GTG !GTX W Trp Tryptophan TGG !TGG X Xxx Unknown !XXX Y Tyr Tyrosine TAT, TAC !TAY Z Glu,Gln Glutamic, Glutamine GAA,GAG,CAA,CAG !SAR * End Terminator TAA, TAG, TGA !TAR,TRA;TRR ||||||||||| docs from PSC on sequence formats: --------------------------------------------------- Nucleic Acid and Protein Sequence File Formats It will probably save you some time if you have your data in a usable format before you send it to us. However, we do have the University of Wisconsin Genetics Computing Group programs running on our VAXen and this package includes several reformatting utilities. Our programs usually recognize any of several standard formats, including GenBank, EMBL, NBRF, and MolGen/Stanford. For the purposes of annotating an analysis we find the GenBank and EMBL formats most useful, particularly if you have already received an accession number from one of these organizations for your sequence. Our programs do not require that all of the line types available in GenBank, EMBL, or NBRF file formats be present for the file format to be recognized and processed. The following pages outline the essential details required for correct processing of files by our programs. Additional information may be present but will generally be ignored. GenBank File Format File Header 1. The first line in the file must have "GENETIC SEQUENCE DATA BANK" in spaces 20 through 46 (see LINE 1, below). 2. The next 8 lines may contain arbitrary text. They are ignored but are required to maintain the GenBank format (see LINE 2 - LINE 9). Sequence Data Entries 3. Each sequence entry in the file should have the following format. a) first line: Must have LOCUS in the first 5 spaces. The genetic locus name or identifier must be in spaces 13 - 22. The length of the sequences is right justified in spaces 23 through 29 (see LINE 10). b) second line: Must have DEFINITION in the first 10 spaces. Spaces 13 - 80 are free form text to identify the sequence (see LINE 11). c) third line: Must have ACCESSION in the first 9 spaces. Spaces 13 - 18 must hold the primary accession number (see LINE 12). d) fourth line: Must have ORIGIN in the first 6 spaces. Nothing else is required on this line, it indicates that the nucleic acid sequence begins on the next line (see LINE 13). e) fifth line: Begins the nucleotide sequence. The first 9 spaces of each sequence line may either be blank or may contain the position in the sequence of the first nucleotide on the line. The next 66 spaces hold the nucleotide sequence in six blocks of ten nucleotides. Each of the six blocks begins with a blank space followed by ten nucleotides. Thus the first nucleotide is in space eleven of the line while the last is in space 75 (see LINE 14, LINE 15). f) last line: Must have // in the first 2 spaces to indicate termination of the sequence (see LINE 16). NOTE: Multiple sequences may appear in each file. To begin another sequence go back to a) and start again. Example GenBank file LINE 1 : GENETIC SEQUENCE DATA BANK LINE 2 : LINE 3 : LINE 4 : LINE 5 : LINE 6 : LINE 7 : LINE 8 : LINE 9 : LINE 10 :LOCUS L_Name Length BP LINE 11 :DEFINITION Describe the sequence any way you want LINE 12 :ACCESSION Accession Number LINE 13 :ORIGIN LINE 14 : 1 acgtacgtac gtacgtacgt acgtacgtac gtacgtacgt a... LINE 15 : 61 acgt... LINE 16 :// EMBL File Format Unlike the GenBank file format the EMBL file format does not require a series of header lines. Thus the first line in the file begins the first sequence entry of the file. 1. The first line of each sequence entry contains the two letters ID in the first two spaces. This is followed by the EMBL identifier in spaces 6 through 14. (See LINE 1). 2. The second line of each sequence entry has the two letters AC in the first two spaces. This is followed by the accession number in spaces 6 through 11. (See LINE 2). 3. The third line of each sequence entry has the two letters DE in the first two spaces. This is followed by a free form text definition in spaces 6 through 72. (See LINE 3). 4. The fourth line in each sequence entry has the two letters SQ in the first two spaces. This is followed by the length of the sequence beginning at or after space 13. After the sequence length there is a blank space and the two letters BP. (See LINE 4). 5. The nucleotide sequence begins on the fifth line of the sequence entry. Each line of sequence begins with four blank spaces. The next 66 spaces hold the nucleotide sequence in six blocks of ten nucleotides. Each of the six blocks begins with a blank space followed by ten nucleotides. Thus the first nucleotide is in space 6 of the line while the last is in space 70. (See LINE 5 - LINE 6). 6. The last line of each sequence entry in the file is a terminator line which has the two characters // in the first two spaces. (See LINE 7). 7. Multiple sequences may appear in each file. To begin another sequence go back to item 1 and start again. Example EMBL file LINE 1 :ID ID_name LINE 2 :AC Accession number LINE 3 :DE Describe the sequence any way you want LINE 4 :SQ Length BP LINE 5 : ACGTACGTAC GTACGTACGT ACGTACGTAC GTACGTA... LINE 6 : ACGT... LINE 7 :// NBRF (protein or nucleic acid) File Format 1. The first line of each sequence entry begins with a greater than symbol, >. This is immediately followed by the two character sequence type specifier. Space four must contain a semi-colon. Beginning in space five is the sequence name or identification code for the NBRF database. The code is from four to six letters and numbers. (See LINE 1). !!!! >> add these to readseq Specifier Sequence type P1 protein, complete F1 protein, fragment DL DNA, linear DC DNA, circular RL RNA, linear RC RNA, circular N1 functional RNA, other than tRNA N3 tRNA 2. The second line of each sequence entry contains two kinds of information. First is the sequence name which is separated from the organism or organelle name by the three character sequence blank space, dash, blank space, " - ". There is no special character marking the beginning of this line. (See LINE 2). 3. Either the amino acid or nucleic acid sequence begins on line three and can begin in any space, including the first. The sequence is free format and may be interrupted by blanks for ease of reading. Protein sequences man contain special punctuation to indicate various indeterminacies in the sequence. In the NBRF data files all lines may be up to 500 characters long. However some PSC programs currently have a limit of 130 characters per line (including blanks), and BitNet will not accept lines of over eighty characters. (See LINE 3, LINE 4, and LINE 5). The last character in the sequence must be an asterisks, *. Example NBRF file LINE 1 :>P1;CBRT LINE 2 :Cytochrome b - Rat mitochondrion (SGC1) LINE 3 :M T N I R K S H P L F K I I N H S F I D L P A P S LINE 4 : VTHICRDVN Y GWL IRY LINE 5 :TWIGGQPVEHPFIIIGQLASISYFSIILILMPISGIVEDKMLKWN* MolGen/Stanford File Format 1. The first line in a sequence file is a comment line. This line begins with a semi-colon in the first space. This line need not be present. If it is present it holds descriptive text. There may be as many comment lines as desired at the first of sequence file. (See LINE 1). 2. The second line must be present and contains an identifier or name for the sequence in the first ten spaces. (See LINE 2). 3. The sequence begins on the third line and occupies up to eighty spaces. Spaces may be included in the sequence for ease of reading. The sequence continues for as many line as needed and is terminated with a 1 or 2. 1 indicates a linear sequence while 2 marks a circular sequence. (See LINE 3 and LINE 4). Example MolGen/Stanford file LINE 1 :; Describe the sequence any way you want LINE 2 :ECTRNAGLY2 LINE 3 :ACGCACGTAC ACGTACGTAC A C G T C C G T ACG TAC GTA CGT LINE 4 : GCTTA GG G C T A1 ||||||||||| Phylip file format --------------------------------------------------- Phylip 3.3 File Format (DNA sequences) The input and output formats for PROTPARS and for RESTML are described in their document files. In general their input formats are similar to those described here, except that the one-letter codes for data are specific to those programs and are described in those document files. Since the input formats for the eight DNA sequence programs apply to all eight, they are described here. Their input formats are standard: the data have A's, G's, C's and T's (or U's). The first line of the input file contains the number of species and the number of sites. As with the other programs, options information may follow this. In the case of DNAML, DNAMLK, and DNADIST an additional line (described in the document file for these pograms) may follow the first one. Following this, each species starts on a new line. The first 10 characters of that line are the species name. There then follows the base sequence of that species, each character being one of the letters A, B, C, D, G, H, K, M, N, O, R, S, T, U, V, W, X, Y, ?, or - (a period was also previously allowed but it is no longer allowed, because it sometimes is used to in aligned sequences to mean "the same as the sequence above"). Blanks will be ignored, and so will numerical digits. This allows GENBANK and EMBL sequence entries to be read with minimum editing. These characters can be either upper or lower case. The algorithms convert all input characters to upper case (which is how they are treated). The characters constitute the IUPAC (IUB) nucleic acid code plus some slight extensions. They enable input of nucleic acid sequences taking full account of any ambiguities in the sequence. The sequences can continue over multiple lines; when this is done the sequences must be either in "interleaved" format, similar to the output of alignment programs, or "sequential" format. These are described in the main document file. In sequential format all of one sequence is given, possibly on multiple lines, before the next starts. In interleaved format the first part of the file should contain the first part of each of the sequences, then possibly a line containing nothing but a carriage-return character, then the second part of each sequence, and so on. Only the first parts of the sequences should be preceded by names. Here is a hypothetical example of interleaved format: 5 42 Turkey AAGCTNGGGC ATTTCAGGGT Salmo gairAAGCCTTGGC AGTGCAGGGT H. SapiensACCGGTTGGC CGTTCAGGGT Chimp AAACCCTTGC CGTTACGCTT Gorilla AAACCCTTGC CGGTACGCTT GAGCCCGGGC AATACAGGGT AT GAGCCGTGGC CGGGCACGGT AT ACAGGTTGGC CGTTCAGGGT AA AAACCGAGGC CGGGACACTC AT AAACCATTGC CGGTACGCTT AA while in sequential format the same sequences would be: 5 42 Turkey AAGCTNGGGC ATTTCAGGGT GAGCCCGGGC AATACAGGGT AT Salmo gairAAGCCTTGGC AGTGCAGGGT GAGCCGTGGC CGGGCACGGT AT H. SapiensACCGGTTGGC CGTTCAGGGT ACAGGTTGGC CGTTCAGGGT AA Chimp AAACCCTTGC CGTTACGCTT AAACCGAGGC CGGGACACTC AT Gorilla AAACCCTTGC CGGTACGCTT AAACCATTGC CGGTACGCTT AA Note, of course, that a portion of a sequence like this: 300 AAGCGTGAAC GTTGTACTAA TRCAG is perfectly legal, assuming that the species name has gone before, and is filled out to full length by blanks. The above digits and blanks will be ignored, the sequence being taken as starting at the first base symbol (in this case an A). The present versions of the programs may sometimes have difficulties with the blank lines between groups of lines, and if so you might want to retype those lines, making sure that they have only a carriage-return and no blank characters on them, or you may perhaps have to eliminate them. The symptoms of this problem are that the programs complain that the sequences are not properly aligned, and you can find no other cause for this complaint. ------------------------------------------------ ||||||||||| ASN.1 file format --------------------------------------------------- ASN.1 -- see NCBI toolkit docs, source and examples (ncbi.nlm.nih.gov) Example asn.1 sequence file---- Bioseq-set ::= { seq-set { seq { id { local id 1 } , -- id essential descr { title "Dummy sequence data from nowhere" } , -- optional inst { -- inst essential repr raw , mol dna , length 156 , topology linear , seq-data iupacna "GAATTCATTTTTGAAACAAATCGACCTGACGACGGAATGGTACTCGAATTA TGGGCCAAAGGGTTTTATGGGACAAATTAATAGGTGTTCATTATATGCCACTTTCGGAGATTAGATACAGCAATGCAG TGGATTCAAAGCAATAGAGTTGTTCTT" } } , seq { id { local id 2 } , descr { title "Dummy sequence 2 data from somewhere else" } , inst { repr raw , mol dna , length 150 , topology linear , seq-data iupacna "TTTTTTTTTTTTGAAACAAATCGACCTGACGACGGAATGGTACTCGAATTA TGGGCCAAAGGGTTTTATGGGACAAATTAATAGGTGTTCATTATATGCCACTTTCGGAGATTAGATACAGCAATGCAG TGGATTCAAAGCAATAGAGTT" } } } } partial ASN.1 description from toolkit Bioseq ::= SEQUENCE { id SET OF Seq-id , -- equivalent identifiers descr Seq-descr OPTIONAL , -- descriptors inst Seq-inst , -- the sequence data annot SET OF Seq-annot OPTIONAL } Seq-inst ::= SEQUENCE { -- the sequence data itself repr ENUMERATED { -- representation class not-set (0) , -- empty virtual (1) , -- no seq data raw (2) , -- continuous sequence seg (3) , -- segmented sequence const (4) , -- constructed sequence ref (5) , -- reference to another sequence consen (6) , -- consensus sequence or pattern map (7) , -- ordered map (genetic, restriction) other (255) } , mol ENUMERATED { -- molecule class in living organism not-set (0) , -- > cdna = rna dna (1) , rna (2) , aa (3) , na (4) , -- just a nucleic acid other (255) } , length INTEGER OPTIONAL , -- length of sequence in residues fuzz Int-fuzz OPTIONAL , -- length uncertainty topology ENUMERATED { -- topology of molecule not-set (0) , linear (1) , circular (2) , tandem (3) , -- some part of tandem repeat other (255) } DEFAULT linear , strand ENUMERATED { -- strandedness in living organism not-set (0) , ss (1) , -- single strand ds (2) , -- double strand mixed (3) , other (255) } OPTIONAL , -- default ds for DNA, ss for RNA, pept seq-data Seq-data OPTIONAL , -- the sequence ext Seq-ext OPTIONAL , -- extensions for special types hist Seq-hist OPTIONAL } -- sequence history ------------------------------------------------ ./arbsrc_9167/READSEQ/macinit.c0000644012664100000130000001521711213220007016005 0ustar arb_buildcoders/* macinit.c -- Macintosh initializations, then call real main Note: compile this segment as Main for generic 68000 processor, so it won't fail on generic mac */ #pragma segment Main #include #include #include #include #include #include #include #include #include #include #include #include #include #include //#include //#include Boolean StopKey() { EventRecord ev; if (EventAvail( keyDownMask+autoKeyMask, &ev)) { if ( (ev.modifiers & cmdKey) && ((char)(ev.message & charCodeMask) == '.') ) { SysBeep(1); (void) GetNextEvent( keyDownMask+autoKeyMask, &ev); return true; } } return false; } Boolean cmdKeyIsDown() { KeyMap kmap; GetKeys(&kmap); return BitTst(kmap, (sizeof(KeyMap)*8) - 55); } Boolean shiftKeyIsDown() { KeyMap kmap; GetKeys(&kmap); return BitTst(kmap, (sizeof(KeyMap)*8) - 56); } Boolean capsLockIsDown() { KeyMap kmap; GetKeys(&kmap); return BitTst(kmap, (sizeof(KeyMap)*8) - 57); } Boolean optionKeyIsDown() { KeyMap kmap; GetKeys(&kmap); return BitTst(kmap, (sizeof(KeyMap)*8) - 58); } Boolean MouseButton() { return Button(); } Boolean Keypress() { EventRecord ev; return EventAvail( keyDownMask+keyUpMask+autoKeyMask, &ev); } char *StdGetFile( char* prompt, OSType fileTypes[], int nFileTypes) { Point wher; /*where to display dialog*/ SFReply reply; /*reply record*/ short len; static char filename[80] = "\0"; wher.h = 80; wher.v = 90; if (optionKeyIsDown()) nFileTypes=0; SFGetFile(wher, prompt, nil, nFileTypes, fileTypes, nil, &reply); if (reply.good) { len = SetVol(nil, reply.vRefNum); len = reply.fName[0]; strncpy(filename, (char *)(&reply.fName[1]), len); filename[len]= '\0'; return filename; } else return NULL; } int readCmdOptions(FILE *cl, char *progname, char ***argv) /* command line reader for Mac/MPW -- dgg */ { #define MAXS 255 #define addarg(sptr) if (strlen(sptr)>0) { \ targv = (char **) realloc( targv, (argc+1) * sizeof(char *)); \ targv[argc] = (char *) malloc(1+strlen(sptr) * sizeof(char)); \ strcpy( targv[argc], sptr); \ argc++; } char *pword, st[MAXS]; int argc = 0; char **targv; targv = (char **) malloc(1); if (progname==NULL) progname = "program"; addarg( progname); fgets( st, MAXS, cl); if (!feof(cl) && st!=NULL && *st!=0) { pword = strtok( st, "\ \n"); while (pword!=NULL) { addarg( pword); pword = strtok( NULL, "\ \n"); } } *argv = targv; return argc; } int ccommand(char ***argv) { int argc; char **targv; argc = readCmdOptions(stdin, *argv[0], &targv); *argv = targv; return argc; } extern _DataInit(); //#define VERSION curSysEnvVers #define nocolorID 130 #define no68020 133 #define no68881 132 #define no256 134 #define nosys6 135 void MacInit() { SysEnvRec theWorld; OSErr OSys; DialogPtr crashDia; long tick; UnloadSeg(_DataInit); InitGraf((Ptr)&qd.thePort); //InitFonts(); InitWindows(); //InitMenus(); //TEInit(); InitDialogs(nil); InitCursor(); /*______________________________________________________*/ /* If not right Machine then stop */ /*______________________________________________________*/ OSys = SysEnvirons( curSysEnvVers,&theWorld); /*if(!theWorld.hasColorQD) { crashDia = GetNewDialog (nocolorID, nil, (WindowPtr) -1); DrawDialog (crashDia); Delay (300, &tick); ExitToShell(); }*/ /*if(theWorld.processor < env68020) { crashDia = GetNewDialog (no68020, nil, (WindowPtr) -1); DrawDialog (crashDia); Delay (300, &tick); ExitToShell(); }*/ /*if(!theWorld.hasFPU) { crashDia = GetNewDialog (no68881, nil, (WindowPtr) -1); DrawDialog (crashDia); Delay (300, &tick); ExitToShell(); } if(theWorld.systemVersion < 0x0600) { crashDia = GetNewDialog (nosys6, nil, (WindowPtr) -1); DrawDialog (crashDia); Delay (300, &tick); ExitToShell(); }*/ #ifdef UnDeFineD /*______________________________________________________*/ /* Set Rects */ /*______________________________________________________*/ screenRect = qd.screenBits.bounds; offLeft = 0; offTop = 0; offRight = screenRect.right; offBottom = screenRect.bottom; SetRect(&BaseRect, 40, 60, 472, 282); tempRgn = GetGrayRgn(); HLock ((Handle) tempRgn); TotalRect = (**tempRgn).rgnBBox; SetRect(&minRect, 80, 80, (**tempRgn).rgnBBox.right - 40, (**tempRgn).rgnBBox.bottom - 40); HUnlock ((Handle) tempRgn); /*______________________________________________________*/ /* Open Window & set Palette & Picture */ /*______________________________________________________*/ theGDevice = GetMainDevice(); HLock ((Handle) theGDevice); mycolors = (**(**theGDevice).gdPMap).pmTable; numcolor = (**(**theGDevice).gdPMap).pixelSize; HUnlock((Handle) theGDevice); switch (numcolor) { case 1: numcolor = 2; break; case 2: numcolor = 4; break; case 4: numcolor = 16; break; case 8: numcolor = 256; break; } myWindow = NewCWindow(nil, &BaseRect, "", true, zoomDocProc, (WindowPtr) -1, true, 150); SetPort((WindowPtr) myWindow); DrawGrowIcon (myWindow); srcPalette = NewPalette (numcolor, mycolors, pmCourteous, 0); SetPalette ((WindowPtr) myWindow, srcPalette, true); /*______________________________________________________*/ /* Set menus */ /*______________________________________________________*/ mymenu0 = GetMenu(appleID); AddResMenu(mymenu0, 'DRVR'); InsertMenu(mymenu0,0); mymenu1 = newmenu(129,"File"); appendmenu(mymenu1,"Start;Quit"); InsertMenu(mymenu1,0); mymenu2 = newmenu(130,"Edit"); InsertMenu(mymenu2,0); DrawMenuBar(); /*______________________________________________________*/ /* Init variables */ /*______________________________________________________*/ DoneFlag = false; yieldTime = 0; return; #endif } main(int argc, char *argv[]) { Boolean loop = true; char **myargv; int myargc; /* MacInit(); -- SIOW library handles this */ do { fprintf(stderr,"\nEnter command line for %s [cmd-Q to quit]\n", argv[0]); fprintf(stderr,"-> %s ",argv[0]); myargv = argv; myargc = ccommand(&myargv); siow_main(myargc, myargv); fflush(stdout); } while (true); exit(0); } ./arbsrc_9167/READSEQ/Makefile0000644012664100000130000000210211213220007015642 0ustar arb_buildcoders.SUFFIXES: .o .c .cxx .depend OBJECT = readseq.o ureadseq.o BINARY=$(ARBHOME)/bin/arb_readseq ifdef DEBIAN all: @echo Do not compile readseq. Instead use the Debian package. else all: $(BINARY) endif # -------------------------------------------------------------------------------- # no warnings in this directory subcflags:=$(subst -W -Wall,-w,$(cflags)) $(BINARY): $(OBJECT) $(ACC) $(subcflags) -o $@ $(OBJECT) .c.o: $(ACC) $(subcflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECT) $(BINARY) DEPENDS = $(OBJECT:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl readseq.o: ureadseq.h ureadseq.o: ureadseq.h ./arbsrc_9167/READSEQ/Readme0000644012664100000130000001417511213220007015337 0ustar arb_buildcoders * ReadSeq -- 1 Feb 93 * * Reads and writes nucleic/protein sequences in various * formats. Data files may have multiple sequences. * * Copyright 1990 by d.g.gilbert * biology dept., indiana university, bloomington, in 47405 * e-mail: gilbertd@bio.indiana.edu * * This program may be freely copied and used by anyone. * Developers are encourged to incorporate parts in their * programs, rather than devise their own private sequence * format. * * This should compile and run with any ANSI C compiler. * Please advise me of any bugs, additions or corrections. Readseq has been updated. There have been a number of enhancements and a few bug corrections since the previous general release in Nov 91 (see below). If you are using earlier versions, I recommend you update to this release. Readseq is particularly useful as it automatically detects many sequence formats, and interconverts among them. Formats added to this release include + MSF multi sequence format used by GCG software + PAUP's multiple sequence (NEXUS) format + PIR/CODATA format used by PIR + ASN.1 format used by NCBI + Pretty print with various options for nice looking output. As well, Phylip format can now be used as input. Options to reverse-compliment and to degap sequences have been added. A menu addition for users of the GDE sequence editor is included. This program is available thru Internet gopher, as gopher ftp.bio.indiana.edu browse into the IUBio-Software+Data/molbio/readseq/ folder select the readseq.shar document Or thru anonymous FTP in this manner: my_computer> ftp ftp.bio.indiana.edu (or IP address 129.79.224.25) username: anonymous password: my_username@my_computer ftp> cd molbio/readseq ftp> get readseq.shar ftp> bye readseq.shar is a Unix shell archive of the readseq files. This file can be editted by any text editor to reconstitute the original files, for those who do not have a Unix system or an Unshar program. Read the top of this .shar file for further instructions. There are also pre-compiled executables for the following computers: Silicon Graphics Iris, Sparc (Sun Sparcstation & clones), VMS-Vax, Macintosh. Use binary ftp to transfer these, except Macintosh. The Mac version is just the command-line program in a window, not very handy. C source files: readseq.c ureadseq.c ureadasn.c ureadseq.h Document files: Readme (this doc) Readseq.help (longer than this doc) Formats (description of sequence file formats) add.gdemenu (GDE program users can add this to the .GDEmenu file) Stdfiles -- test sequence files Makefile -- Unix make file Make.com -- VMS make file *.std -- files for testing validity of readseq Example usage: readseq -- for interactive use readseq my.1st.seq my.2nd.seq -all -format=genbank -output=my.gb -- convert all of two input files to one genbank format output file readseq my.seq -all -form=pretty -nameleft=3 -numleft -numright -numtop -match -- output to standard output a file in a pretty format readseq my.seq -item=9,8,3,2 -degap -CASE -rev -f=msf -out=my.rev -- select 4 items from input, degap, reverse, and uppercase them cat *.seq | readseq -pipe -all -format=asn > bunch-of.asn -- pipe a bunch of data thru readseq, converting all to asn The brief usage of readseq is as follows. The "[]" denote optional parts of the syntax: readseq -help readSeq (27Dec92), multi-format molbio sequence reader. usage: readseq [-options] in.seq > out.seq options -a[ll] select All sequences -c[aselower] change to lower case -C[ASEUPPER] change to UPPER CASE -degap[=-] remove gap symbols -i[tem=2,3,4] select Item number(s) from several -l[ist] List sequences only -o[utput=]out.seq redirect Output -p[ipe] Pipe (command line, stdout) -r[everse] change to Reverse-complement -v[erbose] Verbose progress -f[ormat=]# Format number for output, or -f[ormat=]Name Format name for output: 1. IG/Stanford 10. Olsen (in-only) 2. GenBank/GB 11. Phylip3.2 3. NBRF 12. Phylip 4. EMBL 13. Plain/Raw 5. GCG 14. PIR/CODATA 6. DNAStrider 15. MSF 7. Fitch 16. ASN.1 8. Pearson/Fasta 17. PAUP 9. Zuker 18. Pretty (out-only) Pretty format options: -wid[th]=# sequence line width -tab=# left indent -col[space]=# column space within sequence line on output -gap[count] count gap chars in sequence numbers -nameleft, -nameright[=#] name on left/right side [=max width] -nametop name at top/bottom -numleft, -numright seq index on left/right side -numtop, -numbot index on top/bottom -match[=.] use match base for 2..n species -inter[line=#] blank line(s) between sequence blocks Recent changes: 4 May 92 + added 32 bit CRC checksum as alternative to GCG 6.5bit checksum Aug 92 = fixed Olsen format input to handle files w/ more sequences, not to mess up when more than one seq has same identifier, and to convert number masks to symbols. = IG format fix to understand ^L 30 Dec 92 * revised command-line & interactive interface. Suggested form is now readseq infile -format=genbank -output=outfile -item=1,3,4 ... but remains compatible with prior commandlines: readseq infile -f2 -ooutfile -i3 ... + added GCG MSF multi sequence file format + added PIR/CODATA format + added NCBI ASN.1 sequence file format + added Pretty, multi sequence pretty output (only) + added PAUP multi seq format + added degap option + added Gary Williams (GWW, G.Williams@CRC.AC.UK) reverse-complement option. + added support for reading Phylip formats (interleave & sequential) * string fixes, dropped need for compiler flags NOSTR, FIXTOUPPER, NEEDSTRCASECMP * changed 32bit checksum to default, -DSMALLCHECKSUM for GCG version 1Feb93 = reverted Genbank output format to fixed left margin (change in 30 Dec release), so GDE and others relying on fixed margin can read this. ./arbsrc_9167/READSEQ/readseq.c0000644012664100000130000010626411213220007016010 0ustar arb_buildcoders/* File: readseq.c * main() program for ureadseq.c, ureadseq.h * * Reads and writes nucleic/protein sequence in various * formats. Data files may have multiple sequences. * * Copyright 1990 by d.g.gilbert * biology dept., indiana university, bloomington, in 47405 * e-mail: gilbertd@bio.indiana.edu * * This program may be freely copied and used by anyone. * Developers are encourged to incorporate parts in their * programs, rather than devise their own private sequence * format. * * This should compile and run with any ANSI C compiler. * Please advise me of any bugs, additions or corrections. * */ const char *title = "readSeq (1Feb93), multi-format molbio sequence reader.\n"; /* History 27 Feb 90. 1st release to public. 4 Mar 90. + Gary Olsen format + case change * minor corrections to NBRF,EMBL,others * output 1 file per sequence for gcg, unknown * define -DNOSTR for c-libraries w/o strstr - readseq.p, pascal version, becomes out-of-date 24 May 90. + Phylip 3.2 output format (no input) 20 Jul 90. + Phylip 3.3 output (no input yet) + interactive output re-direction + verbose progress info * interactive help output * dropped line no.s on NBRF output * patched in HyperGCG XCMD corrections, - except for seq. documentation handling * dropped the IG special nuc codes, as IG has adopted the standard IUB codes (now if only everyone would adopt a standard format !) 11 Oct 90. * corrected bug in reading/writing of EMBL format 17 Oct 91. * corrected bug in reading Olsen format (serious-deletion) 10 Nov 91. * corrected bug in reading some GCG format files (serious-last line duplicated) + add format name parsing (-fgb, -ffasta, ...) + Phylip v3.4 output format (== v3.2, sequential) + add checksum output to all forms that have document + skip mail headers in seq file + add pipe for standard input == seq file (with -p) * fold in parts of MacApp Seq object * strengthen format detection * clarify program structure * remove fixed sequence size limit (now dynamic, sizeof memory) * check and fold in accumulated bug reports: * Now ANSI-C fopen(..,"w") & check open failure * Define -DFIXTOUPPER for nonANSI C libraries that mess up toupper/tolower = No command-line changes; callers of readseq main() should be okay - ureadseq.h functions have changed; client programs need to note. + added Unix and VMS Make scripts, including validation tests 4 May 92. + added 32 bit CRC checksum as alternative to GCG 6.5bit checksum (-DBIGCHECKSUM) Aug 92 = fixed Olsen format input to handle files w/ more sequences, not to mess up when more than one seq has same identifier, and to convert number masks to symbols. = IG format fix to understand ^L 25-30 Dec 92 * revised command-line & interactive interface. Suggested form is now readseq infile -format=genbank -output=outfile -item=1,3,4 ... but remains compatible with prior commandlines: readseq infile -f2 -ooutfile -i3 ... + added GCG MSF multi sequence file format + added PIR/CODATA format + added NCBI ASN.1 sequence file format + added Pretty, multi sequence pretty output (only) + added PAUP multi seq format + added degap option + added Gary Williams (GWW, G.Williams@CRC.AC.UK) reverse-complement option. + added support for reading Phylip formats (interleave & sequential) * string fixes, dropped need for compiler flags NOSTR, FIXTOUPPER, NEEDSTRCASECMP * changed 32bit checksum to default, -DSMALLCHECKSUM for GCG version 1Feb93 = revert GenBank output to a fixed left number width which other software depends on. = fix for MSF input to handle symbols in names = fix bug for possible memory overrun when truncating seqs for Phylip or Paup formats (thanks Anthony Persechini) */ /* Readseq has been tested with: Macintosh MPW C GNU gcc SGI cc VAX-VMS cc Any ANSI C compiler should be able to handle this. Old-style C compilers barf all over the source. How do I build the readseq program if I have an Ansi C compiler? #-------------------- # Unix ANSI C # Use the supplied Makefile this way: % make CC=name-of-c-compiler # OR do this... % gcc readseq.c ureadseq.c -o readseq #-------------------- $!VAX-VMS cc $! Use the supplied Make.Com this way: $ @make $! OR, do this: $ cc readseq, ureadseq $ link readseq, ureadseq, sys$library:vaxcrtl/lib $ readseq :== $ MyDisk:[myacct]readseq #-------------------- # Macintosh Simple Input/Output Window application # requires MPW-C and SIOW library (from APDA) # also uses files macinit.c, macinit.r, readseqSIOW.make # Buildprogram readseqSIOW #-------------------- #MPW-C v3 tool C ureadseq.c C readseq.c link -w -o readseq -t MPST -c 'MPS ' ¶ readseq.c.o Ureadseq.c.o ¶ "{Libraries}"Interface.o ¶ "{Libraries}"ToolLibs.o ¶ "{Libraries}"Runtime.o ¶ "{CLibraries}"StdClib.o readseq -i1 ig.seq # MPW-C with NCBI tools set NCBI "{Boot}@molbio:ncbi:"; EXPORT NCBI set NCBILIB1 "{NCBI}"lib:libncbi.o; export NCBILIB1 set NCBILIB2 "{NCBI}"lib:libncbiobj.o; export NCBILIB2 set NCBILIB3 "{NCBI}"lib:libncbicdr.o; export NCBILIB3 set NCBILIB4 "{NCBI}"lib:libvibrant.o; export NCBILIB4 C ureadseq.c C -d NCBI -i "{NCBI}"include: ureadasn.c C -d NCBI -i "{NCBI}"include: readseq.c link -w -o readseq -t MPST -c 'MPS ' ¶ ureadseq.c.o ureadasn.c.o readseq.c.o ¶ {NCBILIB4} {NCBILIB2} {NCBILIB1} ¶ "{Libraries}"Interface.o ¶ "{Libraries}"ToolLibs.o ¶ "{Libraries}"Runtime.o ¶ "{CLibraries}"CSANELib.o ¶ "{CLibraries}"Math.o ¶ "{CLibraries}"StdClib.o ===========================================================*/ #include #include #define __NO_CTYPE #include #include "ureadseq.h" #pragma segment readseq static char inputfilestore[256], *inputfile = inputfilestore; const char *formats[kMaxFormat+1] = { " 1. IG/Stanford", " 2. GenBank/GB", " 3. NBRF", " 4. EMBL", " 5. GCG", " 6. DNAStrider", " 7. Fitch", " 8. Pearson/Fasta", " 9. Zuker (in-only)", "10. Olsen (in-only)", "11. Phylip3.2", "12. Phylip", "13. Plain/Raw", "14. PIR/CODATA", "15. MSF", "16. ASN.1", "17. PAUP/NEXUS", "18. Pretty (out-only)", "" }; #define kFormCount 30 #define kMaxFormName 15 const struct formatTable { char *name; short num; } formname[] = { {"ig", kIG}, {"stanford", kIG}, {"genbank", kGenBank}, {"gb", kGenBank}, {"nbrf", kNBRF}, {"embl", kEMBL}, {"gcg", kGCG}, {"uwgcg", kGCG}, {"dnastrider", kStrider}, {"strider", kStrider}, {"fitch", kFitch}, {"pearson", kPearson}, {"fasta", kPearson}, {"zuker", kZuker}, {"olsen", kOlsen}, {"phylip", kPhylip}, {"phylip3.2", kPhylip2}, {"phylip3.3", kPhylip3}, {"phylip3.4", kPhylip4}, {"phylip-interleaved", kPhylip4}, {"phylip-sequential", kPhylip2}, {"plain", kPlain}, {"raw", kPlain}, {"pir", kPIR}, {"codata", kPIR}, {"asn.1", kASN1}, {"msf", kMSF}, {"paup", kPAUP}, {"nexus", kPAUP}, {"pretty", kPretty}, }; const char *kASN1headline = "Bioseq-set ::= {\nseq-set {\n"; /* GWW table for getting the complement of a nucleotide (IUB codes) */ /* ! "#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[ \]^_`abcdefghijklmnopqrstuvwxyz{|}~ */ const char compl[] = " !\"#$%&'()*+,-./0123456789:;<=>?@TVGHNNCDNNMNKNNYRYSAABWNRN[\\]^_`tvghnncdnnmnknnyrysaabwnrn{|}~"; char *formatstr( short format) { if (format < 1 || format > kMaxFormat) { switch (format) { case kASNseqentry : case kASNseqset : return formats[kASN1-1]; case kPhylipInterleave: case kPhylipSequential: return formats[kPhylip-1]; default: return "(unknown)"; } } else return formats[format-1]; } int rs_isdigit(int c){ return isdigit(c); } int parseformat( char *name2) { #define kDupmatch -2 int namelen, maxlen, i, match, matchat; char lname[kMaxFormName+1]; skipwhitespace(name2); namelen = strlen(name2); if (namelen == 0) return kNoformat; else if (rs_isdigit(*name2)) { i = atol( name2); if (i < kMinFormat | i > kMaxFormat) return kNoformat; else return i; } /* else match character name */ maxlen = min( kMaxFormName, namelen); for (i=0; i out.seq\n"); fprintf(stderr," options\n"); /* ? add -d[igits] to allow digits in sequence data, &/or option to specify seq charset !? */ fprintf(stderr, " -a[ll] select All sequences\n"); fprintf(stderr, " -c[aselower] change to lower case\n"); fprintf(stderr, " -C[ASEUPPER] change to UPPER CASE\n"); fprintf(stderr, " -degap[=-] remove gap symbols\n"); fprintf(stderr, " -i[tem=2,3,4] select Item number(s) from several\n"); fprintf(stderr, " -l[ist] List sequences only\n"); fprintf(stderr, " -o[utput=]out.seq redirect Output\n"); fprintf(stderr, " -p[ipe] Pipe (command line, stdout)\n"); fprintf(stderr, " -r[everse] change to Reverse-complement\n"); fprintf(stderr, " -v[erbose] Verbose progress\n"); fprintf(stderr, " -f[ormat=]# Format number for output, or\n"); fprintf(stderr, " -f[ormat=]Name Format name for output:\n"); midi = (kMaxFormat+1) / 2; for (i = kMinFormat-1; i < midi; i++) fprintf( stderr, " %-20s %-20s\n", formats[i], formats[midi+i]); /* new output format options, esp. for pretty format: */ fprintf(stderr, " \n"); fprintf(stderr, " Pretty format options: \n"); fprintf(stderr, " -wid[th]=# sequence line width\n"); fprintf(stderr, " -tab=# left indent\n"); fprintf(stderr, " -col[space]=# column space within sequence line on output\n"); fprintf(stderr, " -gap[count] count gap chars in sequence numbers\n"); fprintf(stderr, " -nameleft, -nameright[=#] name on left/right side [=max width]\n"); fprintf(stderr, " -nametop name at top/bottom\n"); fprintf(stderr, " -numleft, -numright seq index on left/right side\n"); fprintf(stderr, " -numtop, -numbot index on top/bottom\n"); fprintf(stderr, " -match[=.] use match base for 2..n species\n"); fprintf(stderr, " -inter[line=#] blank line(s) between sequence blocks\n"); /****** not ready yet fprintf(stderr, " -code=none,rtf,postscript,ps code syntax\n"); fprintf(stderr, " -namefont=, -numfont=, -seqfont=font font choice\n"); fprintf(stderr, " font suggestions include times,courier,helvetica\n"); fprintf(stderr, " -namefontsize=, -numfontsize=, -seqfontsize=#\n"); fprintf(stderr, " fontsize suggestions include 9,10,12,14\n"); fprintf(stderr, " -namefontstyle=, -numfontstyle=, -seqfontstyle= style fontstyle for names\n"); fprintf(stderr, " fontstyle options are plain,italic,bold,bold-italic\n"); ******/ } void erralert(short err) { switch (err) { case 0 : break; case eFileNotFound: fprintf(stderr, "File not found: %s\n", inputfile); break; case eFileCreate: fprintf(stderr, "Can't open output file.\n"); break; case eASNerr: fprintf(stderr, "Error in ASN.1 sequence routines.\n"); break; case eNoData: fprintf(stderr, "No data in file.\n"); break; case eItemNotFound: fprintf(stderr, "Specified item not in file.\n"); break; case eUnequalSize: fprintf(stderr, "This format requires equal length sequences.\nSequence truncated or padded to fit.\n"); break; case eUnknownFormat: fprintf(stderr, "Error: this format is unknown to me.\n"); break; case eOneFormat: fprintf(stderr, "Warning: This format permits only 1 sequence per file.\n"); break; case eMemFull: fprintf(stderr, "Out of storage memory. Sequence truncated.\n"); break; default: fprintf(stderr, "readSeq error = %d\n", err); break; } } /* erralert */ int chooseFormat( boolean quietly) { char sform[128]; int midi, i, outform; if (quietly) return kPearson; /* default */ else { midi = (kMaxFormat+1) / 2; for (i = kMinFormat-1; i < midi; i++) fprintf( stderr, " %-20s %-20s\n", formats[i], formats[midi+i]); fprintf(stderr,"\nChoose an output format (name or #): \n"); gets(sform); outform = parseformat(sform); if (outform == kNoformat) outform = kPearson; return outform; } } /* read paramater(s) */ boolean checkopt( boolean casesense, char *sopt, const char *smatch, short minword) { long lenopt, lenmatch; boolean result; short minmaxw; lenopt = strlen(sopt); lenmatch= strlen(smatch); minmaxw= max(minword, min(lenopt, lenmatch)); if (casesense) result= (!strncmp( sopt, smatch, minmaxw)); else result= (!Strncasecmp( sopt, smatch, minmaxw )); /* if (result) { */ /* fprintf(stderr,"true checkopt(opt=%s,match=%s,param=%s)\n", sopt, smatch, *sparam); */ /* } */ return result; } #define kMaxwhichlist 50 /* global for readopt(), main() */ boolean chooseall = false, quietly = false, gotinputfile = false, listonly = false, closeout = false, verbose = false, manyout = false, dolower = false, doupper = false, doreverse= false, askout = true, dopipe= false, interleaved = false; short nfile = 0, iwhichlist=0, nwhichlist = 0; short whichlist[kMaxwhichlist+1]; long whichSeq = 0, outform = kNoformat; char onamestore[128], *oname = onamestore; FILE *foo = NULL; void resetGlobals() /* need this when used from SIOW, as these globals are not reinited automatically between calls to local main() */ { chooseall = false; quietly = false; gotinputfile = false; listonly = false; closeout = false; verbose = false; manyout = false; dolower = false; doupper = false; doreverse= false; askout = true; dopipe= false; interleaved = false; nfile = 0; iwhichlist=0; nwhichlist = 0; whichSeq = 0; outform = kNoformat; oname = onamestore; foo = NULL; gPrettyInit(gPretty); } #define kOptOkay 1 #define kOptNone 0 int readopt( char *sopt) { char sparamstore[256], *sparam= sparamstore; short n, slen= strlen(sopt); /* fprintf(stderr,"readopt( %s) == ", sopt); */ if (*sopt == '?') { usage(); return kOptNone; /*? eOptionBad or kOptNone */ } else if (*sopt == '-') { char *cp= strchr(sopt,'='); *sparam= '\0'; if (cp) { strcpy(sparam, cp+1); *cp= 0; } if (checkopt( false, sopt, "-help", 2)) { usage(); return kOptNone; } if (checkopt( false, sopt, "-all", 2)) { whichSeq= 1; chooseall= true; return kOptOkay; } if (checkopt( false, sopt, "-colspace", 4)) { /* test before -c[ase] */ n= atoi( sparam); gPretty.spacer = n; return kOptOkay; } if (checkopt( true, sopt, "-caselower", 2)) { dolower= true; return kOptOkay; } if (checkopt( true, sopt, "-CASEUPPER", 2)) { doupper= true; return kOptOkay; } if (checkopt( false, sopt, "-pipe", 2)) { dopipe= true; askout= false; return kOptOkay; } if (checkopt( false, sopt, "-list", 2)) { listonly = true; askout = false; return kOptOkay; } if (checkopt( false, sopt, "-reverse", 2)) { doreverse = true; return kOptOkay; } if (checkopt( false, sopt, "-verbose", 2)) { verbose = true; return kOptOkay; } if (checkopt( false, sopt, "-match", 5)) { gPretty.domatch= true; if (*sparam >= ' ') gPretty.matchchar= *sparam; return kOptOkay; } if (checkopt( false, sopt, "-degap", 4)) { gPretty.degap= true; if (*sparam >= ' ') gPretty.gapchar= *sparam; return kOptOkay; } if (checkopt( false, sopt, "-interline", 4)) { gPretty.interline= atoi( sparam); return kOptOkay; } if (checkopt( false, sopt, "-item", 2)) { char *cp = sparam; nwhichlist= 0; whichlist[0]= 0; if (*cp == 0) cp= sopt+2; /* compatible w/ old way */ do { while (*cp!=0 && !rs_isdigit(*cp)) cp++; if (*cp!=0) { n = atoi( cp); whichlist[nwhichlist++]= n; while (*cp!=0 && rs_isdigit(*cp)) cp++; } } while (*cp!=0 && n>0 && nwhichlist0) gPretty.seqwidth = n; return kOptOkay; } if (checkopt( false, sopt, "-tab", 4)) { if (*sparam==0) { for (sparam= sopt+2; !rs_isdigit(*sparam) && *sparam!=0; sparam++) ; } n= atoi( sparam); gPretty.tab = n; return kOptOkay; } if (checkopt( false, sopt, "-gapcount", 4)) { gPretty.baseonlynum = false; /* if (*sparam >= ' ') gPretty.gapchar= *sparam; */ return kOptOkay; } if (checkopt( false, sopt, "-nointerleave", 8)) { gPretty.noleaves = true; return kOptOkay; } if (checkopt( false, sopt, "-nameleft", 7)) { if (*sparam==0) { for (sparam= sopt+2; !rs_isdigit(*sparam) && *sparam!=0; sparam++) ; } n= atoi( sparam); if (n>0 && n<50) gPretty.namewidth = n; gPretty.nameleft= true; return kOptOkay; } if (checkopt( false, sopt, "-nameright", 7)) { if (*sparam==0) { for (sparam= sopt+2; !rs_isdigit(*sparam) && *sparam!=0; sparam++) ; } n= atoi( sparam); if (n>0 && n<50) gPretty.namewidth = n; gPretty.nameright= true; return kOptOkay; } if (checkopt( false, sopt, "-nametop", 6)) { gPretty.nametop= true; return kOptOkay; } if (checkopt( false, sopt, "-numleft", 6)) { if (*sparam==0) { for (sparam= sopt+2; !rs_isdigit(*sparam) && *sparam!=0; sparam++) ; } n= atoi( sparam); if (n>0 && n<50) gPretty.numwidth = n; gPretty.numleft= true; return kOptOkay; } if (checkopt( false, sopt, "-numright", 6)) { if (*sparam==0) { for (sparam= sopt+2; !rs_isdigit(*sparam) && *sparam!=0; sparam++) ; } n= atoi( sparam); if (n>0 && n<50) gPretty.numwidth = n; gPretty.numright= true; return kOptOkay; } if (checkopt( false, sopt, "-numtop", 6)) { gPretty.numtop= true; return kOptOkay; } if (checkopt( false, sopt, "-numbottom", 6)) { gPretty.numbot= true; return kOptOkay; } else { usage(); return eOptionBad; } } else { strcpy( inputfile, sopt); gotinputfile = (*inputfile != 0); nfile++; return kOptOkay; } /* return kOptNone; -- never here */ } /* this program suffers some as it tries to be a quiet translator pipe _and_ a noisy user interactor */ /* return is best for SIOW, okay for others */ #ifdef SIOW #define Exit(a) return(a) siow_main( int argc, char *argv[]) #else #define Exit(a) exit(a) main( int argc, char *argv[]) #endif { boolean closein = false; short ifile, nseq, atseq, format, err = 0, seqtype = kDNA, nlines, seqout = 0, phylvers = 2; long i, skiplines, seqlen, seqlen0; unsigned long checksum= 0, checkall= 0; char *seq, *cp, *firstseq = NULL, *seqlist, *progname, tempname[256]; char seqid[256], *seqidptr = seqid; char stempstore[256], *stemp = stempstore; FILE *ftmp, *fin, *fout; long outindexmax= 0, noutindex= 0, *outindex = NULL; #define exit_main(err) { \ if (closeout) fclose(fout); \ if (closein) fclose(fin); \ if (*tempname!=0) remove(tempname);\ Exit(err); } #define indexout() if (interleaved) {\ if (noutindex>=outindexmax) {\ outindexmax= noutindex + 20;\ outindex= (long*) realloc(outindex, sizeof(long)*outindexmax);\ if (outindex==NULL) { err= eMemFull; erralert(err); exit_main(err); }\ }\ outindex[noutindex++]= ftell(fout);\ } resetGlobals(); foo = stdout; progname = argv[0]; *oname = 0; *tempname = 0; /* initialize gPretty ?? -- done in header */ for (i=1; i < argc; i++) { err= readopt( argv[i]); if (err <= 0) exit_main(err); } /* pipe input from stdin !? */ if (dopipe && !gotinputfile) { int c; tmpnam(tempname); inputfile = tempname; ftmp = fopen( inputfile, "w"); if (!ftmp) { erralert(eFileCreate); exit_main(eFileCreate); } while ((c = getc(stdin)) != EOF) fputc(c, ftmp); fclose(ftmp); gotinputfile= true; } quietly = (dopipe || (gotinputfile && (listonly || whichSeq != 0))); if (verbose || (!quietly && !gotinputfile)) fprintf( stderr, title); ifile = 1; /* UI: Choose output */ if (askout && !closeout && !quietly) { askout = false; fprintf(stderr,"\nName of output file (?=help, defaults to display): \n"); gets(oname= onamestore); skipwhitespace(oname); if (*oname == '?') { usage(); exit_main(0); } else if (*oname != 0) { closeout = true; foo = fopen( oname, "w"); if (!foo) { erralert(eFileCreate); exit_main(eFileCreate); } } } fout = foo; if (outform == kNoformat) outform = chooseFormat(quietly); /* set up formats ... */ switch (outform) { case kPhylip2: interleaved= false; phylvers = 2; outform = kPhylip; break; case kPhylip4: interleaved= true; phylvers = 4; outform = kPhylip; break; case kMSF: case kPAUP: interleaved= true; break; case kPretty: gPretty.isactive= true; interleaved= true; break; } if (gPretty.isactive && gPretty.noleaves) interleaved= false; if (interleaved) { fout = ftmp = tmpfile(); outindexmax= 30; noutindex= 0; outindex = (long*) malloc(outindexmax*sizeof(long)); if (outindex==NULL) { err= eMemFull; erralert(err); exit_main(err); } } /* big loop over all input files */ do { /* select next input file */ gotinputfile = (*tempname != 0); while ((ifile < argc) && (!gotinputfile)) { if (*argv[ifile] != '-') { strcpy( inputfile, argv[ifile]); gotinputfile = (*inputfile != 0); --nfile; } ifile++; } while (!gotinputfile) { fprintf(stderr,"\nName an input sequence or -option: \n"); inputfile= inputfilestore; gets(stemp= stempstore); if (*stemp==0) goto fini; /* !! need this to finish work during interactive use */ stemp= strtok(stempstore, " \n\r\t"); while (stemp) { err= readopt( stemp); /* will read inputfile if it exists */ if (err<0) exit_main(err); stemp= strtok( NULL, " \n\r\t"); } } /* thanks to AJB@UK.AC.DARESBURY.DLVH for this PHYLIP3 fix: */ /* head for end (interleave if needed) */ if (*inputfile == 0) break; format = seqFileFormat( inputfile, &skiplines, &err); if (err == 0) { #ifdef NCBI if (format == kASNseqentry || format == kASNseqset) seqlist = listASNSeqs( inputfile, skiplines, format, &nseq, &err); else #endif seqlist = listSeqs( inputfile, skiplines, format, &nseq, &err); } if (err != 0) erralert(err); else if (listonly) { dumpSeqList(seqlist,format); free( seqlist); } else { /* choose whichSeq if needed */ if (nseq == 1 || chooseall || (quietly && whichSeq == 0)) { chooseall= true; whichSeq = 1; quietly = true; /* no loop */ } else if (whichSeq > nseq && quietly) { erralert(eItemNotFound); err= eItemNotFound; } else if (whichSeq > nseq || !quietly) { dumpSeqList(seqlist, format); fprintf(stderr,"\nChoose a sequence (# or All): \n"); gets(stemp= stempstore); skipwhitespace(stemp); if (to_lower(*stemp) == 'a') { chooseall= true; whichSeq = 1; quietly = true; /* !? this means we don't ask for another file as well as no more whichSeqs... */ } else if (rs_isdigit(*stemp)) whichSeq= atol(stemp); else whichSeq= 1; /* default */ } free( seqlist); if (false /*chooseall*/) { /* this isn't debugged yet...*/ fin = fopen(inputfile, "r"); closein= true; } while (whichSeq > 0 && whichSeq <= nseq) { /* need to open multiple output files ? */ manyout = ((chooseall || nwhichlist>1) && nseq > 1 && (outform == kPlain || outform == kGCG)); if (manyout) { if ( whichSeq == 1 ) erralert(eOneFormat); else if (closeout) { sprintf( stemp,"%s_%ld", oname, whichSeq); freopen( stemp, "w", fout); fprintf( stderr,"Writing sequence %ld to file %s\n", whichSeq, stemp); } } if (closein) { /* !! this fails... skips most seqs... */ /* !! in sequential read, must count seqs already read from whichSeq ... */ /* need major revision of ureadseq before we can do this */ atseq= whichSeq-1; seqidptr= seqid; seq = readSeqFp( whichSeq, fin, skiplines, format, &seqlen, &atseq, &err, seqidptr); skiplines= 0; } else { atseq= 0; seqidptr= seqid; #ifdef NCBI if (format == kASNseqentry || format == kASNseqset) { seqidptr= NULL; seq = readASNSeq( whichSeq, inputfile, skiplines, format, &seqlen, &atseq, &err, &seqidptr); } else #endif seq = readSeq( whichSeq, inputfile, skiplines, format, &seqlen, &atseq, &err, seqidptr); } if (gPretty.degap) { char *newseq; long newlen; newseq= compressSeq( gPretty.gapchar, seq, seqlen, &newlen); if (newseq) { free(seq); seq= newseq; seqlen= newlen; } } if (outform == kMSF) checksum= GCGchecksum(seq, seqlen, &checkall); else if (verbose) checksum= seqchecksum(seq, seqlen, &checkall); if (verbose) fprintf( stderr, "Sequence %ld, length= %ld, checksum= %lX, format= %s, id= %s\n", whichSeq, seqlen, checksum, formatstr(format), seqidptr); if (err != 0) erralert(err); else { /* format fixes that writeseq doesn't do */ switch (outform) { case kPIR: if (seqout == 0) fprintf( foo,"\\\\\\\n"); break; case kASN1: if (seqout == 0) fprintf( foo, kASN1headline); break; case kPhylip: if (seqout == 0) { if (!interleaved) { /* bug, nseq is for 1st infile only */ if (chooseall) i= nseq; else i=1; if (phylvers >= 4) fprintf(foo," %ld %ld\n", i, seqlen); else fprintf(foo," %ld %ld YF\n", i, seqlen); } seqlen0 = seqlen; } else if (seqlen != seqlen0) { erralert(eUnequalSize); if (seqlen < seqlen0) seq = (char *)realloc(seq, seqlen0); for (i=seqlen; i 0 || !quietly); fini: if (firstseq) { free(firstseq); firstseq= NULL; } if (err || listonly) exit_main(err); if (gPretty.isactive && gPretty.numbot) { gPretty.numline = 2; indexout(); (void) writeSeq( fout, seq, seqlen, outform, seqidptr); gPretty.numline = 1; indexout(); (void) writeSeq( fout, seq, seqlen, outform, seqidptr); gPretty.numline = 0; } if (outform == kMSF) { if (*oname) cp= oname; else cp= inputfile; fprintf(foo,"\n %s MSF: %ld Type: N January 01, 1776 12:00 Check: %lu ..\n\n", cp, seqlen, checkall); } if (outform == kPAUP) { fprintf(foo,"#NEXUS\n"); if (*oname) cp= oname; else cp= inputfile; fprintf(foo,"[%s -- data title]\n\n", cp); /* ! now have header lines for each sequence... put them before "begin data;... */ } if (outform==kPhylip && interleaved) { if (phylvers >= 4) fprintf(foo," %d %ld\n", seqout, seqlen); else fprintf(foo," %d %ld YF\n", seqout, seqlen); } if (interleaved) { /* interleave species lines in true output */ /* nlines is # lines / sequence */ short iline, j, leaf, iseq; char *s = stempstore; indexout(); noutindex--; /* mark eof */ for (leaf=0; leaf bunch-of.asn -- pipe a bunch of data thru readseq, converting all to asn The brief usage of readseq is as follows. The "[]" denote optional parts of the syntax: readseq -help readSeq (27Dec92), multi-format molbio sequence reader. usage: readseq [-options] in.seq > out.seq options -a[ll] select All sequences -c[aselower] change to lower case -C[ASEUPPER] change to UPPER CASE -degap[=-] remove gap symbols -i[tem=2,3,4] select Item number(s) from several -l[ist] List sequences only -o[utput=]out.seq redirect Output -p[ipe] Pipe (command line, stdout) -r[everse] change to Reverse-complement -v[erbose] Verbose progress -f[ormat=]# Format number for output, or -f[ormat=]Name Format name for output: 1. IG/Stanford 10. Olsen (in-only) 2. GenBank/GB 11. Phylip3.2 3. NBRF 12. Phylip 4. EMBL 13. Plain/Raw 5. GCG 14. PIR/CODATA 6. DNAStrider 15. MSF 7. Fitch 16. ASN.1 8. Pearson/Fasta 17. PAUP 9. Zuker 18. Pretty (out-only) Pretty format options: -wid[th]=# sequence line width -tab=# left indent -col[space]=# column space within sequence line on output -gap[count] count gap chars in sequence numbers -nameleft, -nameright[=#] name on left/right side [=max width] -nametop name at top/bottom -numleft, -numright seq index on left/right side -numtop, -numbot index on top/bottom -match[=.] use match base for 2..n species -inter[line=#] blank line(s) between sequence blocks Notes: In use, readseq will respond to command line arguments, or to interactive use. Command line arguments cannot be combined but must each follow a switch character (-). In this release, the command line options are now words, with an equals (=) to separate parameter(s) fromt he command. You cannot put a space between a command and its parameter, as is usual for Unix programs (this is to preserve compatibility with VMS). The command line syntax of the earlier versions is still supported. See the file Formats for details of the sequence formats which are supported by readseq. The auto-detection feature of readseq which distinguishes these formats looks for some of the unique keywords and symbols that are found in each format. It is not infallible at this, though it attempts to exclude unknown formats. In general, if you feed to readseq a sequence file that you know is one of these common formats, you are okay. If you feed it data that might be oddball formats, or non-sequence data, you might well get garbage results. Also, different developers are always thinking up minor twists on these common formats (like PAUP requiring a blank line between blocks of Phylip format, or IG adding form feeds between sequences), which may cause hassles. In general, output supports only minimal subsets of each format needed for sequence data exchanges. Features, descriptions and other format-unique information is discarded. The pretty format requires additional options to generate a nice output. Try the various pretty options to see what you like. Pretty format is OUPUT only, readseq cannot read a Pretty format file. Readseq is NOT optimized for LARGE files. It generally makes several reads thru each input file (one per sequence output at present, future version may optimize this). It should handle input and output files and sequences of any size, but will slow down quite a bit for very large (multi megabyte) sized files. It is NOT recommended for converting databanks or large subsets there-of. It is primarily directed at the small files that researchers use to maintain their personal data, which they frequently need to interconvert for the various analysis programs which so frequently require a special format. Users of Olsen multi sequence editor (VMS). The Olsen format here is produced with the print command: print/out=some.file Use Genbank output from readseq to produce a format that this editor can read, and use the command load/genbank some.file Dan Davison has a VMS program that will convert to/from the Olsen native binary data format. E-mail davison@uh.edu Warning: Phylip format input is now supported (30Dec92), however the auto-detection of Phylip format is very probabilistic and messy, especially distinguishing sequential from interleaved versions. It is not recommended that one use readseq to convert files from Phylip format to others unless essential. This program is available thru Internet gopher, as gopher ftp.bio.indiana.edu browse into the IUBio-Software+Data/molbio/readseq/ folder select the readseq.shar document Or thru anonymous FTP in this manner: my_computer> ftp ftp.bio.indiana.edu (or IP address 129.79.224.25) username: anonymous password: my_username@my_computer ftp> cd molbio/readseq ftp> get readseq.shar ftp> bye readseq.shar is a Unix shell archive of the readseq files. This file can be editted by any text editor to reconstitute the original files, for those who do not have a Unix system or an Unshar program. Read the top of this .shar file for further instructions. There are also pre-compiled executables for the following computers: Silicon Graphics Iris, Sparc (Sun Sparcstation & clones), VMS-Vax, Macintosh. Use binary ftp to transfer these, except Macintosh. The Mac version is just the command-line program in a window, not very handy. C source files: readseq.c ureadseq.c ureadasn.c ureadseq.h Document files: Readme (this doc) Formats (description of sequence file formats) add.gdemenu (GDE program users can add this to the .GDEmenu file) Stdfiles -- test sequence files Makefile -- Unix make file Make.com -- VMS make file *.std -- files for testing validity of readseq Recent changes (see also readseq.c for all history of changes): 4 May 92 + added 32 bit CRC checksum as alternative to GCG 6.5bit checksum Aug 92 = fixed Olsen format input to handle files w/ more sequences, not to mess up when more than one seq has same identifier, and to convert number masks to symbols. = IG format fix to understand ^L 30 Dec 92 * revised command-line & interactive interface. Suggested form is now readseq infile -format=genbank -output=outfile -item=1,3,4 ... but remains compatible with prior commandlines: readseq infile -f2 -ooutfile -i3 ... + added GCG MSF multi sequence file format + added PIR/CODATA format + added NCBI ASN.1 sequence file format + added Pretty, multi sequence pretty output (only) + added PAUP multi seq format + added degap option + added Gary Williams (GWW, G.Williams@CRC.AC.UK) reverse-complement option. + added support for reading Phylip formats (interleave & sequential) * string fixes, dropped need for compiler flags NOSTR, FIXTOUPPER, NEEDSTRCASECMP * changed 32bit checksum to default, -DSMALLCHECKSUM for GCG version ./arbsrc_9167/READSEQ/ureadasn.c0000644012664100000130000002056011213220007016160 0ustar arb_buildcoders/* ureadasn.c -- parse, mangle and otherwise rewrite ASN1 file/entries for readseq reading -- from NCBI toolkit (ncbi.nlm.nih.gov:/toolkit) */ #ifdef NCBI #include #include #include /* NCBI toolkit :include: must be on lib path */ #include #include #define UREADASN #include "ureadseq.h" #pragma segment ureadasn /* this stuff is hacked up from tofasta.c of ncbitools */ #define kBaseAny 0 #define kBaseNucleic 1 #define kBaseAmino 2 typedef struct tofasta { Boolean idonly; short *seqnum; short whichSeq; char **seq, **seqid; long *seqlen; } FastaDat, PNTR FastaPtr; void BioseqRawToRaw(BioseqPtr bsp, Boolean idonly, short whichSeq, short *seqnum, char **seq, char **seqid, long *seqlen) { SeqPortPtr spp; SeqIdPtr bestid; Uint1 repr, code, residue; CharPtr tmp, title; long outlen, outmax; char localid[256], *sp; /* !!! this may be called several times for a single sequence because SeqEntryExplore looks for parts and joins them... assume seq, seqid, seqlen may contain data (or NULL) */ if (bsp == NULL) return; repr = Bioseq_repr(bsp); if (!(repr == Seq_repr_raw || repr == Seq_repr_const)) return; (*seqnum)++; if (!(whichSeq == *seqnum || whichSeq == 0)) return; bestid = SeqIdFindBest(bsp->id, (Uint1) 0); title = BioseqGetTitle(bsp); if (idonly) { sprintf(localid, " %d) ", *seqnum); tmp= localid + strlen(localid)-1; } else { strcpy(localid," "); tmp= localid; } tmp = SeqIdPrint(bestid, tmp, PRINTID_FASTA_SHORT); tmp = StringMove(tmp, " "); StringNCpy(tmp, title, 200); /* fprintf(stderr,"BioseqRawToRaw: localid='%s'\n",localid); */ /* < seqid is fixed storage */ /* strcpy( *seqid, localid); */ /* < seqid is variable sized */ outmax= strlen(localid) + 3; if (*seqid==NULL) { *seqid= (char*) malloc(outmax); if (*seqid==NULL) return; strcpy(*seqid, localid); } else { outmax += strlen(*seqid) + 2; *seqid= (char*) realloc( *seqid, outmax); if (*seqid==NULL) return; if (!idonly) strcat(*seqid, "; "); strcat(*seqid, localid); } if (idonly) { strcat(*seqid,"\n"); return; } if (ISA_na(bsp->mol)) code = Seq_code_iupacna; else code = Seq_code_iupacaa; spp = SeqPortNew(bsp, 0, -1, 0, code); SeqPortSeek(spp, 0, SEEK_SET); sp= *seq; if (sp==NULL) { /* this is always true now !? */ outlen= 0; outmax= 500; sp= (char*) malloc(outmax); } else { outlen= strlen(sp); outmax= outlen + 500; sp= (char*) realloc( sp, outmax); } if (sp==NULL) return; while ((residue = SeqPortGetResidue(spp)) != SEQPORT_EOF) { if (outlen>=outmax) { outmax= outlen + 500; sp= (char*) realloc(sp, outmax); if (sp==NULL) return; } sp[outlen++] = residue; } sp= (char*) realloc(sp, outlen+1); if (sp!=NULL) sp[outlen]= '\0'; *seq= sp; *seqlen= outlen; SeqPortFree(spp); return; } static void SeqEntryRawseq(SeqEntryPtr sep, Pointer data, Int4 index, Int2 indent) { FastaPtr tfa; BioseqPtr bsp; if (!IS_Bioseq(sep)) return; bsp = (BioseqPtr)sep->data.ptrvalue; tfa = (FastaPtr) data; BioseqRawToRaw(bsp, tfa->idonly, tfa->whichSeq, tfa->seqnum, tfa->seq, tfa->seqid, tfa->seqlen); } void SeqEntryToRaw(SeqEntryPtr sep, Boolean idonly, short whichSeq, short *seqnum, char **seq, char **seqid, long *seqlen) { FastaDat tfa; if (sep == NULL) return; tfa.idonly= idonly; tfa.seqnum= seqnum; tfa.whichSeq= whichSeq; tfa.seq = seq; tfa.seqid = seqid; tfa.seqlen= seqlen; SeqEntryExplore(sep, (Pointer)&tfa, SeqEntryRawseq); } char *listASNSeqs(const char *filename, const long skiplines, const short format, /* note: this is kASNseqentry or kASNseqset */ short *nseq, short *error ) { AsnIoPtr aip = NULL; SeqEntryPtr the_set; AsnTypePtr atp, atp2; AsnModulePtr amp; Boolean inIsBinary= FALSE; /* damn, why can't asn routines test this? */ char *seq = NULL; char *seqid = NULL, stemp[256]; long seqlen; int i, count; *nseq= 0; *error= 0; /* asn dictionary setups */ /*fprintf(stderr,"listASNSeqs: SeqEntryLoad\n");*/ if (! SeqEntryLoad()) goto errxit; /* sequence alphabets (and sequence parse trees) */ amp = AsnAllModPtr(); /* get pointer to all loaded ASN.1 modules */ if (amp == NULL) goto errxit; atp = AsnFind("Bioseq-set"); /* get the initial type pointers */ if (atp == NULL) goto errxit; atp2 = AsnFind("Bioseq-set.seq-set.E"); if (atp2 == NULL) goto errxit; /*fprintf(stderr,"listASNSeqs: AsnIoOpen\n");*/ /* open the ASN.1 input file in the right mode */ /* !!!! THIS FAILS when filename has MAC PATH (& other paths?) (:folder:filename) */ if ((aip = AsnIoOpen(filename, inIsBinary?"rb":"r")) == NULL) goto errxit; for (i=0; ifp); /* this may mess up asn routines... */ if (! ErrSetLog ("stderr")) goto errxit; else ErrSetOpts(ERR_CONTINUE, ERR_LOG_ON); /*?? log errors instead of die */ if (format == kASNseqentry) { /* read one Seq-entry */ /*fprintf(stderr,"listASNSeqs: SeqEntryAsnRead\n");*/ the_set = SeqEntryAsnRead(aip, NULL); SeqEntryToRaw(the_set, true, 0, nseq, &seq, &seqid, &seqlen); if (seq) free(seq); seq= NULL; SeqEntryFree(the_set); } else { /* read Seq-entry's from a Bioseq-set */ count = 0; /*fprintf(stderr,"listASNSeqs: AsnReadId\n");*/ while ((atp = AsnReadId(aip, amp, atp)) != NULL) { if (atp == atp2) { /* top level Seq-entry */ the_set = SeqEntryAsnRead(aip, atp); SeqEntryToRaw(the_set, true, 0, nseq, &seq, &seqid, &seqlen); SeqEntryFree(the_set); if (seq) free(seq); seq= NULL; } else AsnReadVal(aip, atp, NULL); count++; } } AsnIoClose(aip); *error= 0; return seqid; errxit: AsnIoClose(aip); if (seqid) free(seqid); *error= eASNerr; return NULL; } char *readASNSeq(const short whichEntry, const char *filename, const long skiplines, const short format, /* note: this is kASNseqentry or kASNseqset */ long *seqlen, short *nseq, short *error, char **seqid ) { AsnIoPtr aip = NULL; SeqEntryPtr the_set; AsnTypePtr atp, atp2; AsnModulePtr amp; Boolean inIsBinary= FALSE; /* damn, why can't asn routines test this? */ char *seq, stemp[200]; int i, count; *seqlen= 0; *nseq= 0; *error= 0; seq= NULL; /*fprintf(stderr,"readASNseq: SeqEntryLoad\n");*/ /* asn dictionary setups */ if (! SeqEntryLoad()) goto errxit; /* sequence alphabets (and sequence parse trees) */ amp = AsnAllModPtr(); /* get pointer to all loaded ASN.1 modules */ if (amp == NULL) goto errxit; atp = AsnFind("Bioseq-set"); /* get the initial type pointers */ if (atp == NULL) goto errxit; atp2 = AsnFind("Bioseq-set.seq-set.E"); if (atp2 == NULL) goto errxit; /* open the ASN.1 input file in the right mode */ /*fprintf(stderr,"readASNseq: AsnIoOpen(%s)\n", filename);*/ if ((aip = AsnIoOpen(filename, inIsBinary?"rb":"r")) == NULL) goto errxit; for (i=0; ifp); /* this may mess up asn routines... */ if (! ErrSetLog ("stderr")) goto errxit; else ErrSetOpts(ERR_CONTINUE, ERR_LOG_ON); /*?? log errors instead of die */ seq= NULL; if (format == kASNseqentry) { /* read one Seq-entry */ /*fprintf(stderr,"readASNseq: SeqEntryAsnRead\n");*/ the_set = SeqEntryAsnRead(aip, NULL); SeqEntryToRaw(the_set, false, whichEntry, nseq, &seq, seqid, seqlen); SeqEntryFree(the_set); goto goodexit; } else { /* read Seq-entry's from a Bioseq-set */ count = 0; /*fprintf(stderr,"readASNseq: AsnReadId\n");*/ while ((atp = AsnReadId(aip, amp, atp)) != NULL) { if (atp == atp2) { /* top level Seq-entry */ the_set = SeqEntryAsnRead(aip, atp); SeqEntryToRaw(the_set, false, whichEntry, nseq, &seq, seqid, seqlen); SeqEntryFree(the_set); if (*nseq >= whichEntry) goto goodexit; } else AsnReadVal(aip, atp, NULL); count++; } } goodexit: AsnIoClose(aip); *error= 0; return seq; errxit: AsnIoClose(aip); *error= eASNerr; if (seq) free(seq); return NULL; } #endif /*NCBI*/ ./arbsrc_9167/READSEQ/ureadseq.c0000644012664100000130000015024611440742777016225 0ustar arb_buildcoders/* File: ureadseq.c * * Reads and writes nucleic/protein sequence in various * formats. Data files may have multiple sequences. * * Copyright 1990 by d.g.gilbert * biology dept., indiana university, bloomington, in 47405 * e-mail: gilbertd@bio.indiana.edu * * This program may be freely copied and used by anyone. * Developers are encourged to incorporate parts in their * programs, rather than devise their own private sequence * format. * * This should compile and run with any ANSI C compiler. * * ------------------------------------------------------------ * * Some slight modifications were done by ARB developers * */ #include #include #include #define __NO_CTYPE #include #include "ureadseq.h" prettyopts gPretty; #pragma segment ureadseq int Strcasecmp(const char *a, const char *b) /* from Nlm_StrICmp */ { int diff, done; if (a == b) return 0; done = 0; while (! done) { diff = to_upper(*a) - to_upper(*b); if (diff) return diff; if (*a == '\0') done = 1; else { a++; b++; } } return 0; } int Strncasecmp(const char *a, const char *b, long maxn) /* from Nlm_StrNICmp */ { int diff, done; if (a == b) return 0; done = 0; while (! done) { diff = to_upper(*a) - to_upper(*b); if (diff) return diff; if (*a == '\0') done = 1; else { a++; b++; maxn--; if (! maxn) done = 1; } } return 0; } #ifndef Local # define Local static /* local functions */ #endif #define kStartLength 500000 /* 20Apr93 temp. bug fix */ const char *aminos = "ABCDEFGHIKLMNPQRSTVWXYZ*"; const char *primenuc = "ACGTU"; const char *protonly = "EFIPQZ"; const char kNocountsymbols[5] = "_.-?"; const char stdsymbols[6] = "_.-*?"; const char allsymbols[32] = "_.-*?<>{}[]()!@#$%^&=+;:'/|`~\"\\"; static const char *seqsymbols = allsymbols; const char nummask[11] = "0123456789"; const char nonummask[11] = "~!@#$%^&*("; /* use general form of isseqchar -- all chars + symbols. no formats except nbrf (?) use symbols in data area as anything other than sequence chars. */ /* Local variables for readSeq: */ struct ReadSeqVars { short choice, err, nseq; long seqlen, maxseq, seqlencount; short topnseq; long topseqlen; const char *fname; char *seq, *seqid, matchchar; boolean allDone, done, filestart, addit; FILE *f; long linestart; char s[256], *sp; int (*isseqcharfirst8)(); /* Patch by o. strunk (ARB) to allow numbers in genbank sequences*/ int (*isseqchar)(); /* int (*isseqchar)(int c); << sgi cc hates (int c) */ }; int isSeqChar(int c) { return (isalpha(c) || strchr(seqsymbols,c)); } int isSeqNumChar(int c) { return (isalnum(c) || strchr(seqsymbols,c)); } int isAnyChar(int c) { return isascii(c); /* wrap in case isascii is macro */ } Local void readline(FILE *f, char *s, long *linestart) { char *cp; *linestart= ftell(f); if (NULL == fgets(s, 256, f)) *s = 0; else { cp = strchr(s, '\n'); if (cp != NULL) *cp = 0; } } Local void GetLine(struct ReadSeqVars *V) { readline(V->f, V->s, &V->linestart); } Local void unGetLine(struct ReadSeqVars *V) { fseek(V->f, V->linestart, 0); } Local void addseq(char *s, struct ReadSeqVars * V) { char *ptr; int count = 0; if (V->addit) { for (;*s != 0;s++,count++) { if (count < 9 && V->isseqcharfirst8) { if (!(V->isseqcharfirst8) (*s)) continue; }else{ if (!(V->isseqchar) (*s)) continue; } if (V->seqlen >= V->maxseq) { V->maxseq += kStartLength; ptr = (char *) realloc(V->seq, V->maxseq + 1); if (ptr == NULL) { V->err = eMemFull; return; } else V->seq = ptr; } V->seq[(V->seqlen)++] = *s; } } } Local void countseq(char *s, struct ReadSeqVars *V) /* this must count all valid seq chars, for some formats (paup-sequential) even if we are skipping seq... */ { while (*s != 0) { if ((V->isseqchar)(*s)) { (V->seqlencount)++; } s++; } } Local void addinfo(char *s, struct ReadSeqVars *V) { char s2[256], *si; boolean saveadd; si = s2; while (*s == ' ') s++; sprintf(si, " %d) %s\n", V->nseq, s); saveadd = V->addit; V->addit = true; V->isseqchar = isAnyChar; addseq( si, V); V->addit = saveadd; V->isseqchar = isSeqChar; } Local void readLoop(short margin, boolean addfirst, boolean (*endTest)(boolean *addend, boolean *ungetend, struct ReadSeqVars *V), struct ReadSeqVars *V) { boolean addend = false; boolean ungetend = false; V->nseq++; if (V->choice == kListSequences) V->addit = false; else V->addit = (V->nseq == V->choice); if (V->addit) V->seqlen = 0; if (addfirst) addseq(V->s, V); do { GetLine(V); V->done = feof(V->f); V->done |= (*endTest)( &addend, &ungetend, V); if (V->addit && (addend || !V->done) && (strlen(V->s) > (unsigned)margin)) { addseq( (V->s)+margin, V); } } while (!V->done); if (V->choice == kListSequences) addinfo(V->seqid, V); else { V->allDone = (V->nseq >= V->choice); if (V->allDone && ungetend) unGetLine(V); } } Local boolean endIG( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = true; /* 1 or 2 occur in line w/ bases */ *ungetend= false; return((strchr(V->s,'1')!=NULL) || (strchr(V->s,'2')!=NULL)); } Local void readIG(struct ReadSeqVars *V) { /* 18Aug92: new IG format -- ^L between sequences in place of ";" */ char *si; while (!V->allDone) { do { GetLine(V); for (si= V->s; *si != 0 && *si < ' '; si++) *si= ' '; /* drop controls */ if (*si == 0) *V->s= 0; /* chop line to empty */ } while (! (feof(V->f) || ((*V->s != 0) && (*V->s != ';') ) )); if (feof(V->f)) V->allDone = true; else { strcpy(V->seqid, V->s); readLoop(0, false, endIG, V); } } } Local boolean endStrider( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= false; return (strstr( V->s, "//") != NULL); } Local void readStrider(struct ReadSeqVars *V) { /* ? only 1 seq/file ? */ while (!V->allDone) { GetLine(V); if (strstr(V->s,"; DNA sequence ") == V->s) strcpy(V->seqid, (V->s)+16); else strcpy(V->seqid, (V->s)+1); while ((!feof(V->f)) && (*V->s == ';')) { GetLine(V); } if (feof(V->f)) V->allDone = true; else readLoop(0, true, endStrider, V); } } Local boolean endPIR( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= (strstr(V->s,"ENTRY") == V->s); return ((strstr(V->s,"///") != NULL) || *ungetend); } Local void readPIR(struct ReadSeqVars *V) { /*PIR -- many seqs/file */ while (!V->allDone) { while (! (feof(V->f) || strstr(V->s,"ENTRY") || strstr(V->s,"SEQUENCE")) ) GetLine(V); strcpy(V->seqid, (V->s)+16); while (! (feof(V->f) || strstr(V->s,"SEQUENCE") == V->s)) GetLine(V); readLoop(0, false, endPIR, V); if (!V->allDone) { while (! (feof(V->f) || ((*V->s != 0) && (strstr( V->s,"ENTRY") == V->s)))) GetLine(V); } if (feof(V->f)) V->allDone = true; } } Local boolean endGB( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= (strstr(V->s,"LOCUS") == V->s); return ((strstr(V->s,"//") != NULL) || *ungetend); } Local void readGenBank(struct ReadSeqVars * V) { /* GenBank -- many seqs/file */ V->isseqchar = isSeqNumChar; V->isseqcharfirst8 = isSeqChar; while (!V->allDone) { strcpy(V->seqid, (V->s)+12); while (! (feof(V->f) || strstr(V->s,"ORIGIN") == V->s)) GetLine(V); readLoop(0, false, endGB, V); if (!V->allDone) { while (! (feof(V->f) || ((*V->s != 0) && (strstr( V->s, "LOCUS") == V->s)))) GetLine(V); } if (feof(V->f)) V->allDone = true; } V->isseqchar = isSeqChar; V->isseqcharfirst8 = 0; } Local boolean endNBRF( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { char *a; if ((a = strchr(V->s, '*')) != NULL) { /* end of 1st seq */ /* "*" can be valid base symbol, drop it here */ *a = 0; *addend = true; *ungetend= false; return(true); } else if (*V->s == '>') { /* start of next seq */ *addend = false; *ungetend= true; return(true); } else return(false); } Local void readNBRF(struct ReadSeqVars *V) { while (!V->allDone) { strcpy(V->seqid, (V->s)+4); GetLine(V); /*skip title-junk line*/ readLoop(0, false, endNBRF, V); if (!V->allDone) { while (!(feof(V->f) || (*V->s != 0 && *V->s == '>'))) GetLine(V); } if (feof(V->f)) V->allDone = true; } } Local boolean endPearson( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= true; return(*V->s == '>'); } Local void readPearson(struct ReadSeqVars *V) { while (!V->allDone) { strcpy(V->seqid, (V->s)+1); readLoop(0, false, endPearson, V); if (!V->allDone) { while (!(feof(V->f) || ((*V->s != 0) && (*V->s == '>')))) GetLine(V); } if (feof(V->f)) V->allDone = true; } } Local boolean endEMBL( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= (strstr(V->s,"ID ") == V->s); return ((strstr(V->s,"//") != NULL) || *ungetend); } Local void readEMBL(struct ReadSeqVars *V) { while (!V->allDone) { strcpy(V->seqid, (V->s)+5); do { GetLine(V); } while (!(feof(V->f) | (strstr(V->s,"SQ ") == V->s))); readLoop(0, false, endEMBL, V); if (!V->allDone) { while (!(feof(V->f) | ((*V->s != '\0') & (strstr(V->s,"ID ") == V->s)))) GetLine(V); } if (feof(V->f)) V->allDone = true; } } Local boolean endZuker( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= true; return( *V->s == '(' ); } Local void readZuker(struct ReadSeqVars *V) { /*! 1st string is Zuker's Fortran format */ while (!V->allDone) { GetLine(V); /*s == "seqLen seqid string..."*/ strcpy(V->seqid, (V->s)+6); readLoop(0, false, endZuker, V); if (!V->allDone) { while (!(feof(V->f) | ((*V->s != '\0') & (*V->s == '(')))) GetLine(V); } if (feof(V->f)) V->allDone = true; } } Local boolean endFitch( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { /* this is a somewhat shaky end, 1st char of line is non-blank for seq. title */ *addend = false; *ungetend= true; return( *V->s != ' ' ); } Local void readFitch(struct ReadSeqVars *V) { boolean first; first = true; while (!V->allDone) { if (!first) strcpy(V->seqid, V->s); readLoop(0, first, endFitch, V); if (feof(V->f)) V->allDone = true; first = false; } } Local void readPlain(struct ReadSeqVars *V) { V->nseq++; V->addit = (V->choice > 0); if (V->addit) V->seqlen = 0; addseq(V->seqid, V); /*from above..*/ if (V->fname!=NULL) sprintf(V->seqid, "%s [Unknown form]", V->fname); else sprintf(V->seqid, " [Unknown form]"); do { addseq(V->s, V); V->done = feof(V->f); GetLine(V); } while (!V->done); if (V->choice == kListSequences) addinfo(V->seqid, V); V->allDone = true; } Local void readUWGCG(struct ReadSeqVars *V) { /* 10nov91: Reading GCG files casued duplication of last line when EOF followed that line !!! fix: GetLine now sets *V->s = 0 */ char *si; V->nseq++; V->addit = (V->choice > 0); if (V->addit) V->seqlen = 0; strcpy(V->seqid, V->s); /*writeseq: " %s Length: %d (today) Check: %d ..\n" */ /*drop above or ".." from id*/ if ((si = strstr(V->seqid," Length: "))) *si = 0; else if ((si = strstr(V->seqid,".."))) *si = 0; do { V->done = feof(V->f); GetLine(V); if (!V->done) addseq((V->s), V); } while (!V->done); if (V->choice == kListSequences) addinfo(V->seqid, V); V->allDone = true; } Local void readOlsen(struct ReadSeqVars *V) { /* G. Olsen /print output from multiple sequence editor */ char *si, *sj, *sk, *sm, sid[40], snum[20]; boolean indata = false; int snumlen; V->addit = (V->choice > 0); if (V->addit) V->seqlen = 0; rewind(V->f); V->nseq= 0; do { GetLine(V); V->done = feof(V->f); if (V->done && !(*V->s)) break; else if (indata) { if ( (si= strstr(V->s, sid)) /* && (strstr(V->s, snum) == si - snumlen - 1) ) { */ && (sm= strstr(V->s, snum)) && (sm < si - snumlen) ) { /* Spaces are valid alignment data !! */ /* 17Oct91: Error, the left margin is 21 not 22! */ /* dropped some nucs up to now -- my example file was right shifted ! */ /* variable right id margin, drop id-2 spaces at end */ /* VMS CC COMPILER (VAXC031) mess up: -- Index of 21 is chopping 1st nuc on VMS systems Only! Byte-for-byte same ame rnasep.olsen sequence file ! */ /* si = (V->s)+21; < was this before VMS CC wasted my time */ si += 10; /* use strstr index plus offset to outfox VMS CC bug */ if ((sk = strstr(si, sid))) *(sk-2) = 0; for (sk = si; *sk != 0; sk++) { if (*sk == ' ') *sk = '.'; /* 18aug92: !! some olsen masks are NUMBERS !! which addseq eats */ else if (isdigit(*sk)) *sk= nonummask[*sk - '0']; } addseq(si, V); } } else if ((sk = strstr(V->s, "): "))) { /* seq info header line */ /* 18aug92: correct for diff seqs w/ same name -- use number, e.g. */ /* 3 (Agr.tume): agrobacterium.prna 18-JUN-1987 16:12 */ /* 328 (Agr.tume): agrobacterium.prna XYZ 19-DEC-1992 */ (V->nseq)++; si = 1 + strchr(V->s,'('); *sk = ' '; if (V->choice == kListSequences) addinfo( si, V); else if (V->nseq == V->choice) { strcpy(V->seqid, si); sj = strchr(V->seqid, ':'); while (*(--sj) == ' ') ; while (--sj != V->seqid) { if (*sj == ' ') *sj = '_'; } *sk = 0; while (*(--sk) == ' ') *sk = 0; strcpy(sid, si); si= V->s; while ((*si <= ' ') && (*si != 0)) si++; snumlen=0; while (si[snumlen] > ' ' && snumlen<20) { snum[snumlen]= si[snumlen]; snumlen++; } snum[snumlen]= 0; } } else if (strstr(V->s,"identity: Data:")) { indata = true; if (V->choice == kListSequences) V->done = true; } } while (!V->done); V->allDone = true; } /*readOlsen*/ Local void readMSF(struct ReadSeqVars *V) { /* gcg's MSF, mult. sequence format, interleaved ! */ char *si, *sj, sid[128]; boolean indata = false; int iline= 0; V->addit = (V->choice > 0); if (V->addit) V->seqlen = 0; rewind(V->f); V->nseq= 0; do { GetLine(V); V->done = feof(V->f); if (V->done && !(*V->s)) break; else if (indata) { /*somename ...gpvedai .......t.. aaigr..vad tvgtgptnse aipaltaaet */ /* E gvenae.kgv tentna.tad fvaqpvylpe .nqt...... kv.affynrs */ si= V->s; skipwhitespace(si); /* for (sj= si; isalnum(*sj); sj++) ; bug -- cdelwiche uses "-", "_" and others in names*/ for (sj= si; *sj > ' '; sj++) ; *sj= 0; if ( *si ) { if ( (0==strcmp(si, sid)) ) { addseq(sj+1, V); } iline++; } } else if (NULL != (si = strstr(V->s, "Name: "))) { /* seq info header line */ /* Name: somename Len: 100 Check: 7009 Weight: 1.00 */ (V->nseq)++; si += 6; if (V->choice == kListSequences) addinfo( si, V); else if (V->nseq == V->choice) { strcpy(V->seqid, si); si = V->seqid; skipwhitespace(si); /* for (sj= si; isalnum(*sj); sj++) ; -- bug */ for (sj= si; *sj > ' '; sj++) ; *sj= 0; strcpy(sid, si); } } else if ( strstr(V->s,"//") /*== V->s*/ ) { indata = true; iline= 0; if (V->choice == kListSequences) V->done = true; } } while (!V->done); V->allDone = true; } /*readMSF*/ Local void readPAUPinterleaved(struct ReadSeqVars *V) { /* PAUP mult. sequence format, interleaved or sequential! */ char *si, *sj, *send, sid[40], sid1[40], saveseq[255]; boolean first = true, indata = false, domatch; int iline= 0, ifmc, saveseqlen=0; #define fixmatchchar(s) { \ for (ifmc=0; ifmcmatchchar) s[ifmc]= saveseq[ifmc]; } V->addit = (V->choice > 0); V->seqlencount = 0; if (V->addit) V->seqlen = 0; /* rewind(V->f); V->nseq= 0; << do in caller !*/ indata= true; /* call here after we find "matrix" */ domatch= (V->matchchar > 0); do { GetLine(V); V->done = feof(V->f); if (V->done && !(*V->s)) break; else if (indata) { /* [ 1 1 1 ]*/ /* human aagcttcaccggcgcagtca ttctcataatcgcccacggR cttacatcct*/ /* chimp ................a.t. .c.................a ..........*/ /* !! need to correct for V->matchchar */ si= V->s; skipwhitespace(si); if (strchr(si,';')) indata= false; if (isalnum(*si)) { /* valid data line starts w/ a left-justified seq name in columns [0..8] */ if (first) { (V->nseq)++; if (V->nseq >= V->topnseq) first= false; for (sj = si; isalnum(*sj); sj++) ; send= sj; skipwhitespace(sj); if (V->choice == kListSequences) { *send= 0; addinfo( si, V); } else if (V->nseq == V->choice) { if (domatch) { if (V->nseq == 1) { strcpy( saveseq, sj); saveseqlen= strlen(saveseq); } else fixmatchchar( sj); } addseq(sj, V); *send= 0; strcpy(V->seqid, si); strcpy(sid, si); if (V->nseq == 1) strcpy(sid1, sid); } } else if ( (strstr(si, sid) == si) ){ while (isalnum(*si)) si++; skipwhitespace(si); if (domatch) { if (V->nseq == 1) { strcpy( saveseq, si); saveseqlen= strlen(saveseq); } else fixmatchchar( si); } addseq(si, V); } else if (domatch && (strstr(si, sid1) == si)) { strcpy( saveseq, si); saveseqlen= strlen(saveseq); } iline++; } } else if ( strstr(V->s,"matrix") ) { indata = true; iline= 0; if (V->choice == kListSequences) V->done = true; } } while (!V->done); V->allDone = true; } /*readPAUPinterleaved*/ Local void readPAUPsequential(struct ReadSeqVars *V) { /* PAUP mult. sequence format, interleaved or sequential! */ char *si, *sj; boolean atname = true, indata = false; V->addit = (V->choice > 0); if (V->addit) V->seqlen = 0; V->seqlencount = 0; /* rewind(V->f); V->nseq= 0; << do in caller !*/ indata= true; /* call here after we find "matrix" */ do { GetLine(V); V->done = feof(V->f); if (V->done && !(*V->s)) break; else if (indata) { /* [ 1 1 1 ]*/ /* human aagcttcaccggcgcagtca ttctcataatcgcccacggR cttacatcct*/ /* aagcttcaccggcgcagtca ttctcataatcgcccacggR cttacatcct*/ /* chimp ................a.t. .c.................a ..........*/ /* ................a.t. .c.................a ..........*/ si= V->s; skipwhitespace(si); if (strchr(si,';')) indata= false; if (isalnum(*si)) { /* valid data line starts w/ a left-justified seq name in columns [0..8] */ if (atname) { (V->nseq)++; V->seqlencount = 0; atname= false; sj= si+1; while (isalnum(*sj)) sj++; if (V->choice == kListSequences) { /* !! we must count bases to know when topseqlen is reached ! */ countseq(sj, V); if (V->seqlencount >= V->topseqlen) atname= true; *sj= 0; addinfo( si, V); } else if (V->nseq == V->choice) { addseq(sj, V); V->seqlencount= V->seqlen; if (V->seqlencount >= V->topseqlen) atname= true; *sj= 0; strcpy(V->seqid, si); } else { countseq(sj, V); if (V->seqlencount >= V->topseqlen) atname= true; } } else if (V->nseq == V->choice) { addseq(V->s, V); V->seqlencount= V->seqlen; if (V->seqlencount >= V->topseqlen) atname= true; } else { countseq(V->s, V); if (V->seqlencount >= V->topseqlen) atname= true; } } } else if ( strstr(V->s,"matrix") ) { indata = true; atname= true; if (V->choice == kListSequences) V->done = true; } } while (!V->done); V->allDone = true; } /*readPAUPsequential*/ Local void readPhylipInterleaved(struct ReadSeqVars *V) { char *si, *sj; boolean first = true; int iline= 0; V->addit = (V->choice > 0); if (V->addit) V->seqlen = 0; V->seqlencount = 0; /* sscanf( V->s, "%d%d", &V->topnseq, &V->topseqlen); << topnseq == 0 !!! bad scan !! */ si= V->s; skipwhitespace(si); V->topnseq= atoi(si); while (isdigit(*si)) si++; skipwhitespace(si); V->topseqlen= atol(si); /* fprintf(stderr,"Phylip-ileaf: topnseq=%d topseqlen=%d\n",V->topnseq, V->topseqlen); */ do { GetLine(V); V->done = feof(V->f); if (V->done && !(*V->s)) break; si= V->s; skipwhitespace(si); if (*si != 0) { if (first) { /* collect seq names + seq, as fprintf(outf,"%-10s ",seqname); */ (V->nseq)++; if (V->nseq >= V->topnseq) first= false; sj= V->s+10; /* past name, start of data */ if (V->choice == kListSequences) { *sj= 0; addinfo( si, V); } else if (V->nseq == V->choice) { addseq(sj, V); *sj= 0; strcpy(V->seqid, si); } } else if ( iline % V->nseq == V->choice -1 ) { addseq(si, V); } iline++; } } while (!V->done); V->allDone = true; } /*readPhylipInterleaved*/ Local boolean endPhylipSequential( boolean *addend, boolean *ungetend, struct ReadSeqVars *V) { *addend = false; *ungetend= false; countseq( V->s, V); return V->seqlencount >= V->topseqlen; } Local void readPhylipSequential(struct ReadSeqVars *V) { short i; char *si; /* sscanf( V->s, "%d%d", &V->topnseq, &V->topseqlen); < ? bad sscan ? */ si= V->s; skipwhitespace(si); V->topnseq= atoi(si); while (isdigit(*si)) si++; skipwhitespace(si); V->topseqlen= atol(si); GetLine(V); while (!V->allDone) { V->seqlencount= 0; strncpy(V->seqid, (V->s), 10); V->seqid[10]= 0; for (i=0; i<10 && V->s[i]; i++) V->s[i]= ' '; readLoop(0, true, endPhylipSequential, V); if (feof(V->f)) V->allDone = true; } } Local void readSeqMain( struct ReadSeqVars *V, const long skiplines_, const short format_) { #define tolowerstr(s) { long Itlwr, Ntlwr= strlen(s); \ for (Itlwr=0; Itlwrlinestart= 0; V->matchchar= 0; if (V->f == NULL) V->err = eFileNotFound; else { for (l = skiplines_; l > 0; l--) GetLine( V); do { GetLine( V); for (l= strlen(V->s); (l > 0) && (V->s[l] == ' '); l--) ; } while ((l == 0) && !feof(V->f)); if (feof(V->f)) V->err = eNoData; else switch (format_) { case kPlain : readPlain(V); break; case kIG : readIG(V); break; case kStrider: readStrider(V); break; case kGenBank: readGenBank(V); break; case kPIR : readPIR(V); break; case kNBRF : readNBRF(V); break; case kPearson: readPearson(V); break; case kEMBL : readEMBL(V); break; case kZuker : readZuker(V); break; case kOlsen : readOlsen(V); break; case kMSF : readMSF(V); break; case kPAUP : { boolean done= false; boolean interleaved= false; char *cp; /* rewind(V->f); V->nseq= 0; ?? assume it is at top ?? skiplines ... */ while (!done) { GetLine( V); tolowerstr( V->s); if (strstr( V->s, "matrix")) done= true; if (strstr( V->s, "interleav")) interleaved= true; if (NULL != (cp=strstr( V->s, "ntax=")) ) V->topnseq= atoi(cp+5); if (NULL != (cp=strstr( V->s, "nchar=")) ) V->topseqlen= atoi(cp+6); if (NULL != (cp=strstr( V->s, "matchchar=")) ) { cp += 10; if (*cp=='\'') cp++; else if (*cp=='"') cp++; V->matchchar= *cp; } } if (interleaved) readPAUPinterleaved(V); else readPAUPsequential(V); } break; /* kPhylip: ! can't determine in middle of file which type it is...*/ /* test for interleave or sequential and use Phylip4(ileave) or Phylip2 */ case kPhylip2: readPhylipSequential(V); break; case kPhylip4: /* == kPhylip3 */ readPhylipInterleaved(V); break; default: V->err = eUnknownFormat; break; case kFitch : strcpy(V->seqid, V->s); GetLine(V); readFitch(V); break; case kGCG: do { gotuw = (strstr(V->s,"..") != NULL); if (gotuw) readUWGCG(V); GetLine(V); } while (!(feof(V->f) || V->allDone)); break; } } V->filestart= false; V->seq[V->seqlen] = 0; /* stick a string terminator on it */ } char *readSeqFp( const short whichEntry_, /* index to sequence in file */ FILE *fp_, /* pointer to open seq file */ const long skiplines_, const short format_, /* sequence file format */ long *seqlen_, /* return seq size */ short *nseq_, /* number of seqs in file, for listSeqs() */ short *error_, /* return error */ char *seqid_) /* return seq name/info */ { struct ReadSeqVars V; if (format_ < kMinFormat || format_ > kMaxFormat) { *error_ = eUnknownFormat; *seqlen_ = 0; return NULL; } V.choice = whichEntry_; V.fname = NULL; /* don't know */ V.seq = (char*) calloc(1, kStartLength+1); V.maxseq = kStartLength; V.seqlen = 0; V.seqid = seqid_; V.f = fp_; V.filestart= (ftell( fp_) == 0); /* !! in sequential read, must remove current seq position from choice/whichEntry_ counter !! ... */ if (V.filestart) V.nseq = 0; else V.nseq= *nseq_; /* track where we are in file...*/ *V.seqid = '\0'; V.err = 0; V.nseq = 0; V.isseqchar = isSeqChar; V.isseqcharfirst8 = 0; if (V.choice == kListSequences) ; /* leave as is */ else if (V.choice <= 0) V.choice = 1; /* default ?? */ V.addit = (V.choice > 0); V.allDone = false; readSeqMain(&V, skiplines_, format_); *error_ = V.err; *seqlen_ = V.seqlen; *nseq_ = V.nseq; return V.seq; } char *readSeq( const short whichEntry_, /* index to sequence in file */ const char *filename_, /* file name */ const long skiplines_, const short format_, /* sequence file format */ long *seqlen_, /* return seq size */ short *nseq_, /* number of seqs in file, for listSeqs() */ short *error_, /* return error */ char *seqid_) /* return seq name/info */ { struct ReadSeqVars V; if (format_ < kMinFormat || format_ > kMaxFormat) { *error_ = eUnknownFormat; *seqlen_ = 0; return NULL; } V.choice = whichEntry_; V.fname = filename_; /* don't need to copy string, just ptr to it */ V.seq = (char*) calloc(1, kStartLength+1); V.maxseq = kStartLength; V.seqlen = 0; V.seqid = seqid_; V.f = NULL; *V.seqid = '\0'; V.err = 0; V.nseq = 0; V.isseqchar = isSeqChar; V.isseqcharfirst8 = 0; if (V.choice == kListSequences) ; /* leave as is */ else if (V.choice <= 0) V.choice = 1; /* default ?? */ V.addit = (V.choice > 0); V.allDone = false; V.f = fopen(V.fname, "r"); V.filestart= true; readSeqMain(&V, skiplines_, format_); if (V.f != NULL) fclose(V.f); *error_ = V.err; *seqlen_ = V.seqlen; *nseq_ = V.nseq; return V.seq; } char *listSeqs( const char *filename_, /* file name */ const long skiplines_, const short format_, /* sequence file format */ short *nseq_, /* number of seqs in file, for listSeqs() */ short *error_) /* return error */ { char seqid[256]; long seqlen; return readSeq( kListSequences, filename_, skiplines_, format_, &seqlen, nseq_, error_, seqid); } short seqFileFormat( /* return sequence format number, see ureadseq.h */ const char *filename, long *skiplines, /* return #lines to skip any junk like mail header */ short *error) /* return any error value or 0 */ { FILE *fseq; short format; fseq = fopen(filename, "r"); format= seqFileFormatFp( fseq, skiplines, error); if (fseq!=NULL) fclose(fseq); return format; } short seqFileFormatFp( FILE *fseq, long *skiplines, /* return #lines to skip any junk like mail header */ short *error) /* return any error value or 0 */ { boolean foundIG= false, foundStrider= false, foundGB= false, foundPIR= false, foundEMBL= false, foundNBRF= false, foundPearson= false, foundFitch= false, foundPhylip= false, foundZuker= false, gotolsen= false, gotpaup = false, gotasn1 = false, gotuw= false, gotMSF= false, isfitch= false, isphylip= false, done= false; short format= kUnknown; int nlines= 0, k, splen= 0, otherlines= 0, aminolines= 0, dnalines= 0; char sp[256]; long linestart=0; int maxlines2check=500; #define ReadOneLine(sp) \ { done |= (feof(fseq)); \ readline( fseq, sp, &linestart); \ if (!done) { splen = strlen(sp); ++nlines; } } *skiplines = 0; *error = 0; if (fseq == NULL) { *error = eFileNotFound; return kNoformat; } while ( !done ) { ReadOneLine(sp); /* check for mailer head & skip past if found */ if (nlines < 4 && !done) { if ((strstr(sp,"From ") == sp) || (strstr(sp,"Received:") == sp)) { do { /* skip all lines until find one blank line */ ReadOneLine(sp); if (!done) for (k=0; (k') { if (sp[3] == ';') foundNBRF= true; else foundPearson= true; } else if (strstr(sp,"ID ") == sp) foundEMBL= true; else if (strstr(sp,"SQ ") == sp) foundEMBL= true; else if (*sp == '(') foundZuker= true; else { if (nlines - *skiplines == 1) { int ispp= 0, ilen= 0; sscanf( sp, "%d%d", &ispp, &ilen); if (ispp > 0 && ilen > 0) isphylip= true; } else if (isphylip && nlines - *skiplines == 2) { int tseq; tseq= getseqtype(sp+10, strlen(sp+10)); if ( isalpha(*sp) /* 1st letter in 2nd line must be of a name */ && (tseq != kOtherSeq)) /* sequence section must be okay */ foundPhylip= true; } for (k=0, isfitch= true; isfitch & (k < splen); k++) { if (k % 4 == 0) isfitch &= (sp[k] == ' '); else isfitch &= (sp[k] != ' '); } if (isfitch & (splen > 20)) foundFitch= true; /* kRNA && kDNA are fairly certain...*/ switch (getseqtype( sp, splen)) { case kOtherSeq: otherlines++; break; case kAmino : if (splen>20) aminolines++; break; case kDNA : case kRNA : if (splen>20) dnalines++; break; case kNucleic : break; /* not much info ? */ } } /* pretty certain */ if (gotolsen) { format= kOlsen; done= true; } else if (gotMSF) { format= kMSF; done= true; } else if (gotasn1) { /* !! we need to look further and return kASNseqentry | kASNseqset */ /* seqentry key is Seq-entry ::= seqset key is Bioseq-set ::= ?? can't read these yet w/ ncbi tools ?? Seq-submit ::= Bioseq ::= << fails both bioseq-seq and seq-entry parsers ! */ if (strstr(sp,"Bioseq-set")) format= kASNseqset; else if (strstr(sp,"Seq-entry")) format= kASNseqentry; else format= kASN1; /* other form, we can't yet read... */ done= true; } else if (gotpaup) { format= kPAUP; done= true; } else if (gotuw) { if (foundIG) format= kIG; /* a TOIG file from GCG for certain */ else format= kGCG; done= true; } else if ((dnalines > 1) || done || (nlines > maxlines2check)) { /* decide on most likely format */ /* multichar idents: */ if (foundStrider) format= kStrider; else if (foundGB) format= kGenBank; else if (foundPIR) format= kPIR; else if (foundEMBL) format= kEMBL; else if (foundNBRF) format= kNBRF; /* single char idents: */ else if (foundIG) format= kIG; else if (foundPearson) format= kPearson; else if (foundZuker) format= kZuker; /* digit ident: */ else if (foundPhylip) format= kPhylip; /* spacing ident: */ else if (foundFitch) format= kFitch; /* no format chars: */ else if (otherlines > 0) format= kUnknown; else if (dnalines > 1) format= kPlain; else if (aminolines > 1) format= kPlain; else format= kUnknown; done= true; } /* need this for possible long header in olsen format */ else if (strstr(sp,"): ") != NULL) maxlines2check++; } if (format == kPhylip) { /* check for interleaved or sequential -- really messy */ int tname, tseq; long i, j, nspp= 0, nlen= 0, ilen, leaf= 0, seq= 0; char *ps; rewind(fseq); for (i=0; i < *skiplines; i++) ReadOneLine(sp); nlines= 0; ReadOneLine(sp); sscanf( sp, "%ld%ld", &nspp, &nlen); ReadOneLine(sp); /* 1st seq line */ for (ps= sp+10, ilen=0; *ps!=0; ps++) if (isprint(*ps)) ilen++; for (i= 1; i=9) seq += 10; /* pretty certain not ileaf */ else { if (tseq != tname) leaf++; else seq++; if (tname == kDNA || tname == kRNA) seq++; else leaf++; } if (ilen <= nlen && j<9) { if (tname == kOtherSeq) leaf += 10; else if (tname == kAmino || tname == kDNA || tname == kRNA) seq++; else leaf++; } else if (ilen > nlen) { ilen= 0; } } for ( nspp *= 2 ; i nlen) { if (j>9) leaf += 10; /* must be a name here for sequent */ else if (tname == kOtherSeq) seq += 10; ilen= 0; } } if (leaf > seq) format= kPhylip4; else format= kPhylip2; } return(format); #undef ReadOneLine } /* SeqFileFormat */ unsigned long GCGchecksum( const char *seq, const long seqlen, unsigned long *checktotal) /* GCGchecksum */ { long i, check = 0, count = 0; for (i = 0; i < seqlen; i++) { count++; check += count * to_upper(seq[i]); if (count == 57) count = 0; } check %= 10000; *checktotal += check; *checktotal %= 10000; return check; } /* Table of CRC-32's of all single byte values (made by makecrc.c of ZIP source) */ const unsigned long crctab[] = { 0x00000000L, 0x77073096L, 0xee0e612cL, 0x990951baL, 0x076dc419L, 0x706af48fL, 0xe963a535L, 0x9e6495a3L, 0x0edb8832L, 0x79dcb8a4L, 0xe0d5e91eL, 0x97d2d988L, 0x09b64c2bL, 0x7eb17cbdL, 0xe7b82d07L, 0x90bf1d91L, 0x1db71064L, 0x6ab020f2L, 0xf3b97148L, 0x84be41deL, 0x1adad47dL, 0x6ddde4ebL, 0xf4d4b551L, 0x83d385c7L, 0x136c9856L, 0x646ba8c0L, 0xfd62f97aL, 0x8a65c9ecL, 0x14015c4fL, 0x63066cd9L, 0xfa0f3d63L, 0x8d080df5L, 0x3b6e20c8L, 0x4c69105eL, 0xd56041e4L, 0xa2677172L, 0x3c03e4d1L, 0x4b04d447L, 0xd20d85fdL, 0xa50ab56bL, 0x35b5a8faL, 0x42b2986cL, 0xdbbbc9d6L, 0xacbcf940L, 0x32d86ce3L, 0x45df5c75L, 0xdcd60dcfL, 0xabd13d59L, 0x26d930acL, 0x51de003aL, 0xc8d75180L, 0xbfd06116L, 0x21b4f4b5L, 0x56b3c423L, 0xcfba9599L, 0xb8bda50fL, 0x2802b89eL, 0x5f058808L, 0xc60cd9b2L, 0xb10be924L, 0x2f6f7c87L, 0x58684c11L, 0xc1611dabL, 0xb6662d3dL, 0x76dc4190L, 0x01db7106L, 0x98d220bcL, 0xefd5102aL, 0x71b18589L, 0x06b6b51fL, 0x9fbfe4a5L, 0xe8b8d433L, 0x7807c9a2L, 0x0f00f934L, 0x9609a88eL, 0xe10e9818L, 0x7f6a0dbbL, 0x086d3d2dL, 0x91646c97L, 0xe6635c01L, 0x6b6b51f4L, 0x1c6c6162L, 0x856530d8L, 0xf262004eL, 0x6c0695edL, 0x1b01a57bL, 0x8208f4c1L, 0xf50fc457L, 0x65b0d9c6L, 0x12b7e950L, 0x8bbeb8eaL, 0xfcb9887cL, 0x62dd1ddfL, 0x15da2d49L, 0x8cd37cf3L, 0xfbd44c65L, 0x4db26158L, 0x3ab551ceL, 0xa3bc0074L, 0xd4bb30e2L, 0x4adfa541L, 0x3dd895d7L, 0xa4d1c46dL, 0xd3d6f4fbL, 0x4369e96aL, 0x346ed9fcL, 0xad678846L, 0xda60b8d0L, 0x44042d73L, 0x33031de5L, 0xaa0a4c5fL, 0xdd0d7cc9L, 0x5005713cL, 0x270241aaL, 0xbe0b1010L, 0xc90c2086L, 0x5768b525L, 0x206f85b3L, 0xb966d409L, 0xce61e49fL, 0x5edef90eL, 0x29d9c998L, 0xb0d09822L, 0xc7d7a8b4L, 0x59b33d17L, 0x2eb40d81L, 0xb7bd5c3bL, 0xc0ba6cadL, 0xedb88320L, 0x9abfb3b6L, 0x03b6e20cL, 0x74b1d29aL, 0xead54739L, 0x9dd277afL, 0x04db2615L, 0x73dc1683L, 0xe3630b12L, 0x94643b84L, 0x0d6d6a3eL, 0x7a6a5aa8L, 0xe40ecf0bL, 0x9309ff9dL, 0x0a00ae27L, 0x7d079eb1L, 0xf00f9344L, 0x8708a3d2L, 0x1e01f268L, 0x6906c2feL, 0xf762575dL, 0x806567cbL, 0x196c3671L, 0x6e6b06e7L, 0xfed41b76L, 0x89d32be0L, 0x10da7a5aL, 0x67dd4accL, 0xf9b9df6fL, 0x8ebeeff9L, 0x17b7be43L, 0x60b08ed5L, 0xd6d6a3e8L, 0xa1d1937eL, 0x38d8c2c4L, 0x4fdff252L, 0xd1bb67f1L, 0xa6bc5767L, 0x3fb506ddL, 0x48b2364bL, 0xd80d2bdaL, 0xaf0a1b4cL, 0x36034af6L, 0x41047a60L, 0xdf60efc3L, 0xa867df55L, 0x316e8eefL, 0x4669be79L, 0xcb61b38cL, 0xbc66831aL, 0x256fd2a0L, 0x5268e236L, 0xcc0c7795L, 0xbb0b4703L, 0x220216b9L, 0x5505262fL, 0xc5ba3bbeL, 0xb2bd0b28L, 0x2bb45a92L, 0x5cb36a04L, 0xc2d7ffa7L, 0xb5d0cf31L, 0x2cd99e8bL, 0x5bdeae1dL, 0x9b64c2b0L, 0xec63f226L, 0x756aa39cL, 0x026d930aL, 0x9c0906a9L, 0xeb0e363fL, 0x72076785L, 0x05005713L, 0x95bf4a82L, 0xe2b87a14L, 0x7bb12baeL, 0x0cb61b38L, 0x92d28e9bL, 0xe5d5be0dL, 0x7cdcefb7L, 0x0bdbdf21L, 0x86d3d2d4L, 0xf1d4e242L, 0x68ddb3f8L, 0x1fda836eL, 0x81be16cdL, 0xf6b9265bL, 0x6fb077e1L, 0x18b74777L, 0x88085ae6L, 0xff0f6a70L, 0x66063bcaL, 0x11010b5cL, 0x8f659effL, 0xf862ae69L, 0x616bffd3L, 0x166ccf45L, 0xa00ae278L, 0xd70dd2eeL, 0x4e048354L, 0x3903b3c2L, 0xa7672661L, 0xd06016f7L, 0x4969474dL, 0x3e6e77dbL, 0xaed16a4aL, 0xd9d65adcL, 0x40df0b66L, 0x37d83bf0L, 0xa9bcae53L, 0xdebb9ec5L, 0x47b2cf7fL, 0x30b5ffe9L, 0xbdbdf21cL, 0xcabac28aL, 0x53b39330L, 0x24b4a3a6L, 0xbad03605L, 0xcdd70693L, 0x54de5729L, 0x23d967bfL, 0xb3667a2eL, 0xc4614ab8L, 0x5d681b02L, 0x2a6f2b94L, 0xb40bbe37L, 0xc30c8ea1L, 0x5a05df1bL, 0x2d02ef8dL }; unsigned long CRC32checksum(const char *seq, const long seqlen, unsigned long *checktotal) /*CRC32checksum: modified from CRC-32 algorithm found in ZIP compression source */ { unsigned long c = 0xffffffffL; long n = seqlen; if (!seq) return 0; while (n--) { c = crctab[((int)c ^ (to_upper(*seq))) & 0xff] ^ (c >> 8); seq++; /* fixed aug'98 finally */ } c= c ^ 0xffffffffL; *checktotal += c; return c; } short getseqtype( const char *seq, const long seqlen) { /* return sequence kind: kDNA, kRNA, kProtein, kOtherSeq, ??? */ char c; short i, maxtest; short na = 0, aa = 0, po = 0, nt = 0, nu = 0, ns = 0, no = 0; maxtest = min(300, seqlen); for (i = 0; i < maxtest; i++) { c = to_upper(seq[i]); if (strchr(protonly, c)) po++; else if (strchr(primenuc,c)) { na++; if (c == 'T') nt++; else if (c == 'U') nu++; } else if (strchr(aminos,c)) aa++; else if (strchr(seqsymbols,c)) ns++; else if (isalpha(c)) no++; } if ((no > 0) || (po+aa+na == 0)) return kOtherSeq; /* ?? test for probability of kOtherSeq ?, e.g., else if (po+aa+na / maxtest < 0.70) return kOtherSeq; */ else if (po > 0) return kAmino; else if (aa == 0) { if (nu > nt) return kRNA; else return kDNA; } else if (na > aa) return kNucleic; else return kAmino; } /* getseqtype */ char* compressSeq( const char gapc, const char *seq, const long seqlen, long *newlen) { char *a, *b; long i; char *newseq; *newlen= 0; if (!seq) return NULL; newseq = (char*) malloc(seqlen+1); if (!newseq) return NULL; for (a= (char*)seq, b=newseq, i=0; *a!=0; a++) if (*a != gapc) { *b++= *a; i++; } *b= '\0'; newseq = (char*) realloc(newseq, i+1); *newlen= i; return newseq; } /*** char *rtfhead = "{\\rtf1\\defformat\\mac\\deff2 \ {\\fonttbl\ {\\f1\\fmodern Courier;}{\\f2\\fmodern Monaco;}\ {\\f3\\fswiss Helvetica;}{\\f4\\fswiss Geneva;}\ {\\f5\\froman Times;}{\\f6\\froman Palatino;}\ {\\f7\\froman New Century Schlbk;}{\\f8\\ftech Symbol;}}\ {\\stylesheet\ {\\s1 \\f5\\fs20 \\sbasedon0\\snext1 name;}\ {\\s2 \\f3\\fs20 \\sbasedon0\\snext2 num;}\ {\\s3 \\f1\\f21 \\sbasedon0\\snext3 seq;}}"; char *rtftail = "}"; ****/ short writeSeq(FILE *outf, const char *seq, const long seqlen, const short outform, const char *seqid) /* dump sequence to standard output */ { const short kSpaceAll = -9; #define kMaxseqwidth 250 boolean baseonlynum= false; /* nocountsymbols -- only count true bases, not "-" */ short numline = 0; /* only true if we are writing seq number line (for interleave) */ boolean numright = false, numleft = false; boolean nameright = false, nameleft = false; short namewidth = 8, numwidth = 8; short spacer = 0, width = 50, tab = 0; /* new parameters: width, spacer, those above... */ short linesout = 0, seqtype = kNucleic; long i, j, l, l1, ibase; char idword[31], endstr[10]; char seqnamestore[128], *seqname = seqnamestore; char s[kMaxseqwidth], *cp; char nameform[10], numform[10], nocountsymbols[10]; unsigned long checksum = 0, checktotal = 0; gPretty.atseq++; skipwhitespace(seqid); l = min(128, strlen(seqid)); strncpy( seqnamestore, seqid, l); seqname[l] = 0; sscanf( seqname, "%30s", idword); sprintf(numform, "%ld", seqlen); numwidth= strlen(numform)+1; nameform[0]= '\0'; if (strstr(seqname,"checksum") != NULL) { cp = strstr(seqname,"bases"); if (cp!=NULL) { for ( ; (cp!=seqname) && (*cp!=','); cp--) ; if (cp!=seqname) *cp=0; } } strcpy( endstr,""); l1 = 0; if (outform == kGCG || outform == kMSF) checksum = GCGchecksum(seq, seqlen, &checktotal); else checksum = seqchecksum(seq, seqlen, &checktotal); switch (outform) { case kPlain: case kUnknown: /* no header, just sequence */ strcpy(endstr,"\n"); /* end w/ extra blank line */ break; case kOlsen: /* Olsen seq. editor takes plain nucs OR Genbank */ case kGenBank: fprintf(outf,"LOCUS %s %ld bp\n", idword, seqlen); fprintf(outf,"DEFINITION %s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); /* fprintf(outf,"ACCESSION %s\n", accnum); */ fprintf(outf,"ORIGIN \n"); spacer = 11; numleft = true; numwidth = 8; /* dgg. 1Feb93, patch for GDE fail to read short numwidth */ strcpy(endstr, "\n//"); linesout += 4; break; case kPIR: /* somewhat like genbank... \\\*/ /* fprintf(outf,"\\\\\\\n"); << only at top of file, not each entry... */ fprintf(outf,"ENTRY %s \n", idword); fprintf(outf,"TITLE %s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); /* fprintf(outf,"ACCESSION %s\n", accnum); */ fprintf(outf,"SEQUENCE \n"); numwidth = 7; width= 30; spacer = kSpaceAll; numleft = true; strcpy(endstr, "\n///"); /* run a top number line for PIR */ for (j=0; jP1;%s\n", idword); else fprintf(outf,">DL;%s\n", idword); fprintf(outf,"%s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); spacer = 11; strcpy(endstr,"*\n"); linesout += 3; break; case kEMBL: fprintf(outf,"ID %s\n", idword); /* fprintf(outf,"AC %s\n", accnum); */ fprintf(outf,"DE %s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); fprintf(outf,"SQ %ld BP\n", seqlen); strcpy(endstr, "\n//"); /* 11Oct90: bug fix*/ tab = 4; /** added 31jan91 */ spacer = 11; /** added 31jan91 */ width = 60; linesout += 4; break; case kGCG: fprintf(outf,"%s\n", seqname); /* fprintf(outf,"ACCESSION %s\n", accnum); */ fprintf(outf," %s Length: %ld (today) Check: %ld ..\n", idword, seqlen, checksum); spacer = 11; numleft = true; strcpy(endstr, "\n"); /* this is insurance to help prevent misreads at eof */ linesout += 3; break; case kStrider: /* ?? map ?*/ fprintf(outf,"; ### from DNA Strider ;-)\n"); fprintf(outf,"; DNA sequence %s, %ld bases, %lX checksum.\n;\n", seqname, seqlen, checksum); strcpy(endstr, "\n//"); linesout += 3; break; case kFitch: fprintf(outf,"%s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); spacer = 4; width = 60; linesout += 1; break; case kPhylip2: case kPhylip4: /* this is version 3.2/3.4 -- simplest way to write version 3.3 is to write as version 3.2, then re-read file and interleave the species lines */ if (strlen(idword)>10) idword[10] = 0; fprintf(outf,"%-10s ",idword); l1 = -1; tab = 12; spacer = 11; break; case kASN1: seqtype= getseqtype(seq, seqlen); switch (seqtype) { case kDNA : cp= (char*)"dna"; break; case kRNA : cp= (char*)"rna"; break; case kNucleic : cp= (char*)"na"; break; case kAmino : cp= (char*)"aa"; break; case kOtherSeq: cp= (char*)"not-set"; break; } fprintf(outf," seq {\n"); fprintf(outf," id { local id %d },\n", gPretty.atseq); fprintf(outf," descr { title \"%s\" },\n", seqid); fprintf(outf," inst {\n"); fprintf(outf," repr raw, mol %s, length %ld, topology linear,\n", cp, seqlen); fprintf(outf," seq-data\n"); if (seqtype == kAmino) fprintf(outf," iupacaa \""); else fprintf(outf," iupacna \""); l1 = 17; spacer = 0; width = 78; tab = 0; strcpy(endstr,"\"\n } } ,"); linesout += 7; break; case kPAUP: nameleft= true; namewidth = 9; spacer = 21; width = 100; tab = 0; /* 1; */ /* strcpy(endstr,";\nend;"); << this is end of all seqs.. */ /* do a header comment line for paup */ fprintf(outf,"[Name: %-16s Len:%6ld Check: %8lX]\n", idword, seqlen, checksum); linesout += 1; break; case kPretty: numline= gPretty.numline; baseonlynum= gPretty.baseonlynum; namewidth = gPretty.namewidth; numright = gPretty.numright; numleft = gPretty.numleft; nameright = gPretty.nameright; nameleft = gPretty.nameleft; spacer = gPretty.spacer + 1; width = gPretty.seqwidth; tab = gPretty.tab; /* also add rtf formatting w/ font, size, style */ if (gPretty.nametop) { fprintf(outf,"Name: %-16s Len:%6ld Check: %8lX\n", idword, seqlen, checksum); linesout++; } break; case kMSF: fprintf(outf," Name: %-16s Len:%6ld Check: %5ld Weight: 1.00\n", idword, seqlen, checksum); linesout++; nameleft= true; namewidth= 15; /* need MAX namewidth here... */ sprintf(nameform, "%%+%ds ",namewidth); spacer = 11; width = 50; tab = 0; /* 1; */ break; case kIG: fprintf(outf,";%s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); fprintf(outf,"%s\n", idword); strcpy(endstr,"1"); /* == linear dna */ linesout += 2; break; default : case kZuker: /* don't attempt Zuker's ftn format */ case kPearson: fprintf(outf,">%s, %ld bases, %lX checksum.\n", seqname, seqlen, checksum); linesout += 1; break; } if (*nameform==0) sprintf(nameform, "%%%d.%ds ",namewidth,namewidth); if (numline) sprintf(numform, "%%%ds ",numwidth); else sprintf(numform, "%%%dd ",numwidth); strcpy( nocountsymbols, kNocountsymbols); if (baseonlynum) { if (strchr(nocountsymbols,gPretty.gapchar)==NULL) { strcat(nocountsymbols," "); nocountsymbols[strlen(nocountsymbols)-1]= gPretty.gapchar; } if (gPretty.domatch && (cp=strchr(nocountsymbols,gPretty.matchchar))!=NULL) { *cp= ' '; } } if (numline) { *idword= 0; } width = min(width,kMaxseqwidth); for (i=0, l=0, ibase = 1; i < seqlen; ) { if (l1 < 0) l1 = 0; else if (l1 == 0) { if (nameleft) fprintf(outf, nameform, idword); if (numleft) { if (numline) fprintf(outf, numform, ""); else fprintf(outf, numform, ibase);} for (j=0; jb)?a:b #define skipwhitespace(string) {while (*string <= ' ' && *string != 0) string++;} /* NLM strings */ #define is_upper(c) ('A'<=(c) && (c)<='Z') #define is_lower(c) ('a'<=(c) && (c)<='z') #define to_lower(c) ((char)(is_upper(c) ? (c)+' ' : (c))) #define to_upper(c) ((char)(is_lower(c) ? (c)-' ' : (c))) /* readSeq errors */ #define eFileNotFound -1 #define eNoData -2 #define eMemFull -3 #define eItemNotFound -4 #define eOneFormat -5 #define eUnequalSize -6 #define eFileCreate -7 #define eUnknownFormat -8 #define eOptionBad -9 #define eASNerr -10 /* magic number for readSeq(whichEntry) to give seq list */ #define kListSequences -1 /* sequence types parsed by getseqtype */ #define kOtherSeq 0 #define kDNA 1 #define kRNA 2 #define kNucleic 3 #define kAmino 4 /* formats known to readSeq */ #define kIG 1 #define kGenBank 2 #define kNBRF 3 #define kEMBL 4 #define kGCG 5 #define kStrider 6 #define kFitch 7 #define kPearson 8 #define kZuker 9 #define kOlsen 10 #define kPhylip2 11 #define kPhylip4 12 #define kPhylip3 kPhylip4 #define kPhylip kPhylip4 #define kPlain 13 /* keep this at #13 */ #define kPIR 14 #define kMSF 15 #define kASN1 16 #define kPAUP 17 #define kPretty 18 #define kMaxFormat 18 #define kMinFormat 1 #define kNoformat -1 /* format not tested */ #define kUnknown 0 /* format not determinable */ /* subsidiary types */ #define kASNseqentry 51 #define kASNseqset 52 #define kPhylipInterleave 61 #define kPhylipSequential 62 typedef struct { boolean isactive, baseonlynum; boolean numright, numleft, numtop, numbot; boolean nameright, nameleft, nametop; boolean noleaves, domatch, degap; char matchchar, gapchar; short numline, atseq; short namewidth, numwidth; short interline, spacer, seqwidth, tab; } prettyopts; #define gPrettyInit(p) { \ p.isactive=false;\ p.baseonlynum=true;\ p.numline= p.atseq= 0;\ p.numright= p.numleft= p.numtop= p.numbot= false;\ p.nameright= p.nameleft= p.nametop= false;\ p.noleaves= p.domatch= p.degap= false;\ p.matchchar='.';\ p.gapchar='-';\ p.namewidth=10;\ p.numwidth=5;\ p.interline=1;\ p.spacer=10;\ p.seqwidth=50;\ p.tab=0; } extern prettyopts gPretty; #ifdef __cplusplus extern "C" { #endif extern short seqFileFormat(const char *filename, long *skiplines, short *error ); extern short seqFileFormatFp(FILE *fseq, long *skiplines, short *error ); extern char *listSeqs(const char *filename, const long skiplines, const short format, short *nseq, short *error ); extern char *readSeq(const short whichEntry, const char *filename, const long skiplines, const short format, long *seqlen, short *nseq, short *error, char *seqid ); extern char *readSeqFp(const short whichEntry_, FILE *fp_, const long skiplines_, const short format_, long *seqlen_, short *nseq_, short *error_, char *seqid_ ); extern short writeSeq(FILE *outf, const char *seq, const long seqlen, const short outform, const char *seqid ); extern unsigned long CRC32checksum(const char *seq, const long seqlen, unsigned long *checktotal); extern unsigned long GCGchecksum(const char *seq, const long seqlen, unsigned long *checktotal); #ifdef SMALLCHECKSUM #define seqchecksum GCGchecksum #else #define seqchecksum CRC32checksum #endif extern short getseqtype(const char *seq, const long seqlen ); extern char *compressSeq( const char gapc, const char *seq, const long seqlen, long *newlen); #ifdef NCBI extern char *listASNSeqs(const char *filename, const long skiplines, const short format, short *nseq, short *error ); extern char *readASNSeq(const short whichEntry, const char *filename, const long skiplines, const short format, long *seqlen, short *nseq, short *error, char **seqid ); #endif /* patches for some missing string.h stuff */ extern int Strcasecmp(const char *a, const char *b); extern int Strncasecmp(const char *a, const char *b, long maxn); #ifdef __cplusplus } #endif #endif /*UREADSEQ_H*/ ./arbsrc_9167/RNA3D/Makefile0000644012664100000130000002065611440743000015410 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = RNA3D_Main.o \ RNA3D_Interface.o \ RNA3D_Graphics.o \ RNA3D_OpenGLEngine.o \ RNA3D_OpenGLGraphics.o \ RNA3D_Textures.o \ RNA3D_StructureData.o \ RNA3D_Renderer.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c -o $@ $(@:.o=.cxx) $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl RNA3D_Graphics.o: RNA3D_GlobalHeader.hxx RNA3D_Graphics.o: RNA3D_Graphics.hxx RNA3D_Graphics.o: RNA3D_Interface.hxx RNA3D_Graphics.o: RNA3D_OpenGLEngine.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/aw_preset.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx RNA3D_Graphics.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_Interface.o: RNA3D_Global.hxx RNA3D_Interface.o: RNA3D_GlobalHeader.hxx RNA3D_Interface.o: RNA3D_Graphics.hxx RNA3D_Interface.o: RNA3D_Interface.hxx RNA3D_Interface.o: RNA3D_OpenGLEngine.hxx RNA3D_Interface.o: RNA3D_OpenGLGraphics.hxx RNA3D_Interface.o: RNA3D_StructureData.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_Interface.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_Interface.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_Interface.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_Interface.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_Interface.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_awars.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_preset.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/aw_window_Xm_interface.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/GL/aw_window_ogl.hxx RNA3D_Interface.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_Main.o: RNA3D_Global.hxx RNA3D_Main.o: RNA3D_GlobalHeader.hxx RNA3D_Main.o: RNA3D_Interface.hxx RNA3D_Main.o: RNA3D_Main.hxx RNA3D_Main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_Main.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_Main.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_Main.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_Main.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_Main.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_Main.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_Main.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_Main.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_Main.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_Main.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_Main.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_OpenGLEngine.o: RNA3D_Global.hxx RNA3D_OpenGLEngine.o: RNA3D_GlobalHeader.hxx RNA3D_OpenGLEngine.o: RNA3D_Graphics.hxx RNA3D_OpenGLEngine.o: RNA3D_Interface.hxx RNA3D_OpenGLEngine.o: RNA3D_OpenGLEngine.hxx RNA3D_OpenGLEngine.o: RNA3D_OpenGLGraphics.hxx RNA3D_OpenGLEngine.o: RNA3D_Renderer.hxx RNA3D_OpenGLEngine.o: RNA3D_StructureData.hxx RNA3D_OpenGLEngine.o: RNA3D_Textures.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/aw_awars.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/BI_helix.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/GL/aw_window_ogl.hxx RNA3D_OpenGLEngine.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_OpenGLGraphics.o: RNA3D_Global.hxx RNA3D_OpenGLGraphics.o: RNA3D_GlobalHeader.hxx RNA3D_OpenGLGraphics.o: RNA3D_OpenGLGraphics.hxx RNA3D_OpenGLGraphics.o: RNA3D_Renderer.hxx RNA3D_OpenGLGraphics.o: RNA3D_StructureData.hxx RNA3D_OpenGLGraphics.o: RNA3D_Textures.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/aw_window_Xm_interface.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx RNA3D_OpenGLGraphics.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_Renderer.o: RNA3D_Global.hxx RNA3D_Renderer.o: RNA3D_GlobalHeader.hxx RNA3D_Renderer.o: RNA3D_Graphics.hxx RNA3D_Renderer.o: RNA3D_OpenGLGraphics.hxx RNA3D_Renderer.o: RNA3D_Renderer.hxx RNA3D_Renderer.o: RNA3D_StructureData.hxx RNA3D_Renderer.o: RNA3D_Textures.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx RNA3D_Renderer.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_StructureData.o: RNA3D_Global.hxx RNA3D_StructureData.o: RNA3D_GlobalHeader.hxx RNA3D_StructureData.o: RNA3D_Graphics.hxx RNA3D_StructureData.o: RNA3D_OpenGLGraphics.hxx RNA3D_StructureData.o: RNA3D_StructureData.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/ad_t_prot.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/arbdbt.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_awars.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_device.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_position.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_root.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/aw_window.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/BI_helix.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/ed4_extern.hxx RNA3D_StructureData.o: $(ARBHOME)/INCLUDE/GL/glpng.h RNA3D_Textures.o: RNA3D_Global.hxx RNA3D_Textures.o: RNA3D_GlobalHeader.hxx RNA3D_Textures.o: RNA3D_OpenGLEngine.hxx RNA3D_Textures.o: RNA3D_Textures.hxx RNA3D_Textures.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RNA3D_Textures.o: $(ARBHOME)/INCLUDE/ad_prot.h RNA3D_Textures.o: $(ARBHOME)/INCLUDE/arb_assert.h RNA3D_Textures.o: $(ARBHOME)/INCLUDE/arbdb.h RNA3D_Textures.o: $(ARBHOME)/INCLUDE/arbdb_base.h RNA3D_Textures.o: $(ARBHOME)/INCLUDE/attributes.h RNA3D_Textures.o: $(ARBHOME)/INCLUDE/GL/glpng.h ./arbsrc_9167/RNA3D/RNA3D_GlobalHeader.hxx0000644012664100000130000000277412050705370017710 0ustar arb_buildcoders// fix missing dependencies on Debian-based systems #include // OpenGl Header files #define OPEN_GL_WAY_TO_INCLUDE 3 // ------------------------------ #if (OPEN_GL_WAY_TO_INCLUDE == 1) // working on waltz: #include #include #include #ifdef __GLX_glx_h__ #error include wrapper define for glx.h already set -- next include will do nothing #endif // i have not included this file in my version. I replaced glxew.h with glx.h when // you mentioned that it was not compiling on your machine and checked in to the repository. --yadhu //#include #endif // OPEN_GL_WAY_TO_INCLUDE == 1 // ------------------------------ #if (OPEN_GL_WAY_TO_INCLUDE == 2) // working on ralfs machine // not workint on waltz : Previous declaration errors because // GLwMDrawA.h includes glx.h and/or glxew.h files #include #include #include #include #endif // OPEN_GL_WAY_TO_INCLUDE == 2 // ------------------------------ #if (OPEN_GL_WAY_TO_INCLUDE == 3) // working on ralfs machine // working on waltz too #include #ifdef DARWIN #include #else #include #endif #include // @@@ HACK @@@ // including glew.h does define the include wrapper used by glx.h // so including glx.h does includes nothing and symbols are missing. // Undefining it here does the job: #undef __GLX_glx_h__ #include #endif // OPEN_GL_WAY_TO_INCLUDE == 3 // ------------------------------ #include ./arbsrc_9167/RNA3D/RNA3D_Global.hxx0000644012664100000130000001022511440743000016557 0ustar arb_buildcoders#ifndef M_PI #define M_PI 3.14159265358979323846 #endif #define rna3d_assert(cond) arb_assert(cond) // Awars for SAI #define AWAR_3D_SAI_SELECTED "rna3d/sai_selected" // Awars for Helix #define AWAR_3D_DISPLAY_HELIX "rna3d/display_helix" #define AWAR_3D_HELIX_BACKBONE "rna3d/helix_backbone" #define AWAR_3D_HELIX_MIDPOINT "rna3d/helix_midpoint" #define AWAR_3D_HELIX_SIZE "rna3d/helix_size" #define AWAR_3D_HELIX_FROM "rna3d/helix_from" #define AWAR_3D_HELIX_TO "rna3d/helix_to" #define AWAR_3D_HELIX_NUMBER "rna3d/helix_number" #define AWAR_3D_DISPLAY_TERTIARY_INTRACTIONS "rna3d/tertiary_interactions" // Awars for Bases #define AWAR_3D_DISPLAY_BASES "rna3d/display_bases" #define AWAR_3D_DISPLAY_SIZE "rna3d/display_size" #define AWAR_3D_BASES_MODE "rna3d/bases_mode" #define AWAR_3D_BASES_HELIX "rna3d/bases_helix" #define AWAR_3D_BASES_UNPAIRED_HELIX "rna3d/bases_unpaired_helix" #define AWAR_3D_BASES_NON_HELIX "rna3d/bases_non_helix" #define AWAR_3D_SHAPES_HELIX "rna3d/shapes_helix" #define AWAR_3D_SHAPES_UNPAIRED_HELIX "rna3d/shapes_unpaired_helix" #define AWAR_3D_SHAPES_NON_HELIX "rna3d/shapes_non_helix" // Awars for General Molecule #define AWAR_3D_MOL_BACKBONE "rna3d/mol_backbone" #define AWAR_3D_MOL_COLORIZE "rna3d/mol_colorize" #define AWAR_3D_MOL_SIZE "rna3d/mol_size" #define AWAR_3D_MOL_DISP_POS "rna3d/mol_disp_pos" #define AWAR_3D_MOL_POS_INTERVAL "rna3d/mol_pos_interval" #define AWAR_3D_MOL_ROTATE "rna3d/mol_rotate" #define AWAR_3D_MAP_SPECIES "rna3d/mol_map_species" #define AWAR_3D_MAP_SPECIES_DISP_BASE "rna3d/mol_map_species_base" #define AWAR_3D_MAP_SPECIES_DISP_POS "rna3d/mol_map_species_pos" #define AWAR_3D_MAP_SPECIES_DISP_DELETIONS "rna3d/mol_map_species_deletions" #define AWAR_3D_MAP_SPECIES_DISP_MISSING "rna3d/mol_map_species_missing" #define AWAR_3D_MAP_SPECIES_DISP_INSERTIONS "rna3d/mol_map_species_insertions" #define AWAR_3D_MAP_SPECIES_DISP_INSERTIONS_INFO "rna3d/mol_map_species_insertions_info" #define AWAR_3D_SELECTED_SPECIES "rna3d/selected_species" #define AWAR_3D_CURSOR_POSITION "rna3d/cursor_postion" #define AWAR_3D_MAP_ENABLE "rna3d/map_enable" #define AWAR_3D_MAP_SAI "rna3d/map_sai" #define AWAR_3D_MAP_SEARCH_STRINGS "rna3d/map_search_strings" #define AWAR_3D_DISPLAY_MASK "rna3d/display_mask" #define AWAR_3D_23S_RRNA_MOL "rna3d/rrna_mol_23s" struct Vector3 { float x, y, z; Vector3() {} // A default constructor Vector3(float X, float Y, float Z) { x = X; y = Y; z = Z; } // Overloading Operator(+,-,*,/) functions // adding 2 vectors Vector3 operator+(Vector3 v) { return Vector3(v.x + x, v.y + y, v.z + z); } // substracting 2 vectors Vector3 operator-(Vector3 v) { return Vector3(x - v.x, y - v.y, z - v.z); } //multiply by scalars Vector3 operator*(float num) { return Vector3(x * num, y * num, z * num); } // divide by scalars Vector3 operator/(float num) { return Vector3(x / num, y / num, z / num); } }; // Class to store all the GLOBAL variables that are used in the application class OpenGLGraphics; class Structure3D; class Texture2D; class GLRenderer; class AW_root; class AWT_canvas; class RNA3D_Global { public: Widget glw; AW_root *root; AWT_canvas *gl_Canvas; int OpenGLEngineState; int iRotateMolecule; bool bPointSpritesSupported; bool bAutoRotate; bool bRotateMolecule; bool bDisplayMask; bool bDisplayComments; bool bEColiRefInitialised; bool bMapSearchStringsDispListCreated; bool bMapSaiDispListCreated; float ROTATION_SPEED; float saved_x, saved_y; float scale; OpenGLGraphics *cGraphics; Structure3D *cStructure; Texture2D *cTexture; GLRenderer *cRenderer; Vector3 Viewer; Vector3 Center; Vector3 Up; RNA3D_Global(); ~RNA3D_Global(); }; // global variables extern RNA3D_Global *RNA3D; extern char globalComment[1000]; void RNA3D_init_global_data(); ./arbsrc_9167/RNA3D/RNA3D_Graphics.cxx0000644012664100000130000000551711440743000017122 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include "RNA3D_Graphics.hxx" #include "RNA3D_Interface.hxx" #include "RNA3D_OpenGLEngine.hxx" #include using namespace std; AW_gc_manager RNA3D_Graphics::init_devices(AW_window *aww, AW_device *device, AWT_canvas* ntw, AW_CL cd2) { AW_gc_manager preset_window = AW_manage_GC (aww, device, RNA3D_GC_FOREGROUND, RNA3D_GC_MAX, AW_GCM_DATA_AREA, (AW_CB)AWT_resize_cb, (AW_CL)ntw, cd2, false, "#000000", "+-Foreground$#FFFFFF", "+-MOLECULE Skeleton$#606060", "-Mapped Species$#FF0000", "+-BASE: Deletion$#FF0000", "+-BASE: Insertion$#00FF00", "-BASE: Positions$#FFAA00", "+-BASE: Helix$#55AAFF", "+-BASE: Unpaired$#AAFF00", "-BASE: Non-Helix$#FFAA55", "+-HELIX$#FF0000", "+-HELIX Skeleton$#606060", "-HELIX MidPoint$#FFFFFF", // colors used to Paint search patterns // (do not change the names of these gcs) "+-User1$#B8E2F8", "+-User2$#B8E2F8", "-Probe$#B8E2F8", "+-Primer(l)$#A9FE54", "+-Primer(r)$#A9FE54", "-Primer(g)$#A9FE54", "+-Sig(l)$#DBB0FF", "+-Sig(r)$#DBB0FF", "-Sig(g)$#DBB0FF", // Color Ranges to paint SAIs "+-RANGE 0$#FFFFFF", "+-RANGE 1$#E0E0E0", "-RANGE 2$#C0C0C0", "+-RANGE 3$#A0A0A0", "+-RANGE 4$#909090", "-RANGE 5$#808080", "+-RANGE 6$#808080", "+-RANGE 7$#505050", "-RANGE 8$#404040", "+-RANGE 9$#303030", "+-Pseudoknots$#FFAAFF","-Triple Bases$#55FF00", "+-Cursor$#FFFFFF", "+-Comments$#808080", "-MoleculeMask$#00FF00", NULL); return preset_window; } RNA3D_Graphics::RNA3D_Graphics(AW_root *aw_root_, GBDATA *gb_main_) { exports.dont_fit_x = 1; exports.dont_fit_y = 1; exports.dont_fit_larger = 0; exports.left_offset = 20; exports.right_offset = 200; exports.top_offset = 30; exports.bottom_offset = 30; exports.dont_scroll = 0; this->aw_root = aw_root_; this->gb_main = gb_main_; } RNA3D_Graphics::~RNA3D_Graphics(void) {} void RNA3D_Graphics::show(AW_device *device){ paint(device); } void RNA3D_Graphics::info(AW_device */*device*/, AW_pos /*x*/, AW_pos /*y*/, AW_clicked_line */*cl*/, AW_clicked_text */*ct*/) { aw_message("INFO MESSAGE"); } void RNA3D_Graphics::paint(AW_device */*device*/) { MapDisplayParameters(aw_root); RefreshOpenGLDisplay(); } ./arbsrc_9167/RNA3D/RNA3D_Graphics.hxx0000644012664100000130000000335211440743000017122 0ustar arb_buildcoders#ifndef RNA3D_GRAPHICS_HXX #define RNA3D_GRAPHICS_HXX #define RNA3D_assert(cond) arb_assert(cond) #ifndef AWT_CANVAS_HXX #include #endif enum { RNA3D_GC_FOREGROUND, RNA3D_GC_MOL_BACKBONE, RNA3D_GC_MAPPED_SPECIES, RNA3D_GC_DELETION, RNA3D_GC_INSERTION, RNA3D_GC_MOL_POS, RNA3D_GC_BASES_HELIX, RNA3D_GC_BASES_UNPAIRED_HELIX, RNA3D_GC_BASES_NON_HELIX, RNA3D_GC_HELIX, RNA3D_GC_HELIX_SKELETON, RNA3D_GC_HELIX_MIDPOINT, RNA3D_GC_SBACK_0, // User 1 // Background for search RNA3D_GC_SBACK_1, // User 2 RNA3D_GC_SBACK_2, // Probe RNA3D_GC_SBACK_3, // Primer (local) RNA3D_GC_SBACK_4, // Primer (region) RNA3D_GC_SBACK_5, // Primer (global) RNA3D_GC_SBACK_6, // Signature (local) RNA3D_GC_SBACK_7, // Signature (region) RNA3D_GC_SBACK_8, // Signature (global) RNA3D_GC_CBACK_0, // Ranges for SAI visualization RNA3D_GC_CBACK_1, RNA3D_GC_CBACK_2, RNA3D_GC_CBACK_3, RNA3D_GC_CBACK_4, RNA3D_GC_CBACK_5, RNA3D_GC_CBACK_6, RNA3D_GC_CBACK_7, RNA3D_GC_CBACK_8, RNA3D_GC_CBACK_9, RNA3D_GC_PSEUDOKNOT, RNA3D_GC_TRIPLE_BASE, RNA3D_GC_CURSOR_POSITION, RNA3D_GC_COMMENTS, RNA3D_GC_MASK, RNA3D_GC_MAX }; class RNA3D_Graphics: public AWT_nonDB_graphic { public: GBDATA *gb_main; AW_root *aw_root; RNA3D_Graphics(AW_root *aw_root, GBDATA *gb_main); virtual ~RNA3D_Graphics(void); AW_gc_manager init_devices(AW_window *,AW_device *,AWT_canvas *ntw,AW_CL); void show(AW_device *device); void info(AW_device *device, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct); void paint(AW_device *device); }; #else #error RNA3D_Graphics.hxx included twice #endif ./arbsrc_9167/RNA3D/RNA3D_Interface.cxx0000644012664100000130000006566711440743000017276 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include #include #include "RNA3D_Global.hxx" #include "RNA3D_Graphics.hxx" #include "RNA3D_OpenGLEngine.hxx" #include "RNA3D_Interface.hxx" #include "RNA3D_OpenGLGraphics.hxx" #include "RNA3D_StructureData.hxx" #include #include #include #include #include using namespace std; static AW_window_menu_modes_opengl *awm; static XtAppContext appContext; static XtWorkProcId workId = 0; static GLboolean Spinning = GL_FALSE; //========= SpinMolecule(XtPointer ...) : The Actual WorkProc Routine ============// // => Sets the Rotation speed to 0.05 : default speed in Rotation Mode. // => Calls RefreshOpenGLDisplay() : to calculate new rotate matrix // and then, redraws the entire scene. // => Returns False : so that the work proc remains registered and // the animation will continue. //===============================================================================// Boolean SpinMolecule(XtPointer /*clientData*/) { RNA3D->ROTATION_SPEED = 0.05; RefreshOpenGLDisplay(); return false; /* leave work proc active */ } //========== RotateMoleculeStateChanged(void)==================================// // => if Spinning, removes the WorkProc routine and sets Spinning & bAutoRotate to false. // => if not, adds the WorkProc routine [SpinMolecule()] and sets Spinning & bAutoRotate to true. // bAutoRotate is used in recalculation of Rotation Matrix // in RenderOpenGLScene() ==> defined in RNA3D_OpenGLEngine.cxx. //===============================================================================// static void RotateMoleculeStateChanged(void) { if(Spinning) { XtRemoveWorkProc(workId); Spinning = GL_FALSE; RNA3D->bAutoRotate = false; } else { workId = XtAppAddWorkProc(appContext, SpinMolecule, NULL); Spinning = GL_TRUE; RNA3D->bAutoRotate = true; } } //============ RotateMoleculeStateChanged_cb(AW_root *awr)===========================// // Callback bound to Rotatation Awar (AWAR_3D_MOL_ROTATE) // Is called when the // 1. Rotation Awar is changed. // 2. Also when the Spacebar is pressed in KeyBoardEventHandler(). //===============================================================================// static void RotateMoleculeStateChanged_cb(AW_root *awr) { MapDisplayParameters(awr); RotateMoleculeStateChanged(); RefreshOpenGLDisplay(); } void ResizeOpenGLWindow( Widget /* w*/, XtPointer /*client_data*/, XEvent *event, char* /*x*/ ) { XConfigureEvent *evt; evt = (XConfigureEvent*) event; if ( RNA3D->OpenGLEngineState == NOT_CREATED ) { return; } ReshapeOpenGLWindow( (GLint) evt->width, (GLint) evt->height ); RefreshOpenGLDisplay(); } void KeyReleaseEventHandler(Widget /* w*/, XtPointer /*client_data*/, XEvent */*event*/, char* /*x*/ ) { RefreshOpenGLDisplay(); } void KeyPressEventHandler(Widget /* w*/, XtPointer /*client_data*/, XEvent *event, char* /*x*/ ) { XKeyEvent *evt; evt = (XKeyEvent*) event; char buffer[1]; KeySym keysym; int count; // Converting keycode to keysym count = XLookupString((XKeyEvent *) event, buffer, 1, &keysym, NULL); switch(keysym) { case XK_space: RNA3D->iRotateMolecule = !RNA3D->iRotateMolecule; RNA3D->root->awar(AWAR_3D_MOL_ROTATE)->write_int(RNA3D->iRotateMolecule); break; case XK_Escape: RNA3D->bDisplayComments = !RNA3D->bDisplayComments; break; case XK_Tab: RNA3D->bDisplayMask = !RNA3D->bDisplayMask; break; case XK_Up: RNA3D->Center.y -= 0.1; break; case XK_Down: RNA3D->Center.y += 0.1; break; case XK_Left: RNA3D->Center.x -= 0.1; break; case XK_Right: RNA3D->Center.x += 0.1; break; } RefreshOpenGLDisplay(); } void ButtonReleaseEventHandler(Widget /* w*/, XtPointer /*client_data*/, XEvent *event, char* /*x*/ ) { XButtonEvent *xr; xr = (XButtonEvent*) event; switch(xr->button) { case LEFT_BUTTON: RNA3D->bRotateMolecule = false; break; case MIDDLE_BUTTON: break; case RIGHT_BUTTON: break; } RefreshOpenGLDisplay(); } void ButtonPressEventHandler( Widget /* w*/, XtPointer /*client_data*/, XEvent *event, char* /*x*/ ){ XButtonEvent *xp; xp = (XButtonEvent*) event; switch(xp->button) { case LEFT_BUTTON: RNA3D->bRotateMolecule = true; RNA3D->saved_x = xp->x; RNA3D->saved_y = xp->y; break; case MIDDLE_BUTTON: RNA3D->gl_Canvas->set_mode(AWT_MODE_NONE); break; case RIGHT_BUTTON: break; case WHEEL_UP: RNA3D->scale += ZOOM_FACTOR; break; case WHEEL_DOWN: RNA3D->scale -= ZOOM_FACTOR; break; } RefreshOpenGLDisplay(); } void MouseMoveEventHandler(Widget /* w*/, XtPointer /*client_data*/, XEvent *event, char* /*x*/ ) { XMotionEvent *xp; xp = (XMotionEvent*) event; if (!RNA3D->bAutoRotate) { RNA3D->ROTATION_SPEED = 0.5; } if(RNA3D->bRotateMolecule) { // ComputeRotationXY : computes new rotation X and Y based on the mouse movement ComputeRotationXY(xp->x, xp->y); } RefreshOpenGLDisplay(); } void ExposeOpenGLWindow( Widget w, XtPointer /*client_data*/, XEvent *event, char* /*x*/ ) { static bool ok = false; if ( RNA3D->OpenGLEngineState == NOT_CREATED ) { // extern GBDATA* OpenGL_gb_main; // OpenGL_gb_main = gb_main; InitializeOpenGLWindow( w ); XExposeEvent *evt; evt = (XExposeEvent*) event; try { InitializeOpenGLEngine( (GLint) evt->height, (GLint) evt->height ); ReshapeOpenGLWindow( (GLint) evt->width, (GLint) evt->height ); ok = true; } catch (string& err) { //errors catched here should close the RNA3D window again (or prevent it from opening) aw_message(GBS_global_string("Error in RNA3D: %s", err.c_str())); awm->hide(); } } if (ok) RefreshOpenGLDisplay(); } void RefreshOpenGLDisplay() { if ( RNA3D->OpenGLEngineState == CREATED ) { RenderOpenGLScene(RNA3D->glw); } } static void RefreshCanvas(AW_root *awr) { MapDisplayParameters(awr); RefreshOpenGLDisplay(); } static void SyncronizeColorsWithEditor(AW_window *aww) { // overwrites color settings with those from EDIT4 AW_copy_GCs(aww->get_root(), "ARB_EDIT4", "RNA3D", false, "User1", "User2", "Probe", "Primerl", "Primerr", "Primerg", "Sigl", "Sigr", "Sigg", "RANGE_0", "RANGE_1", "RANGE_2", "RANGE_3", "RANGE_4", "RANGE_5", "RANGE_6", "RANGE_7", "RANGE_8", "RANGE_9", NULL); } static void Change3DMolecule_CB(AW_root *awr) { cout<<"Rendering new 3D molecule.... please wait..."<cStructure->LSU_molID = awr->awar(AWAR_3D_23S_RRNA_MOL)->read_int(); RNA3D->cStructure->DeleteOldMoleculeData(); // Deleting the old molecule data RNA3D->cStructure->ReadCoOrdinateFile(); // Reading Structure information RNA3D->cStructure->GetSecondaryStructureInfo(); // Getting Secondary Structure Information RNA3D->cStructure->Combine2Dand3DstructureInfo(); // Combining Secondary Structure data with 3D Coordinates RNA3D->cStructure->GenerateDisplayLists(); // Generating Display Lists for Rendering // recaluculate the mapping information awr->awar(AWAR_SPECIES_NAME)->touch(); // recaluculate helix numbering awr->awar(AWAR_3D_HELIX_FROM)->touch(); // render new structure in OpenGL window RefreshCanvas(awr); } static void Change3DMolecule(AW_window *aww, long int molID) { // changes the displayed 3D structure in the case of 23S rRNA aww->get_root()->awar(AWAR_3D_23S_RRNA_MOL)->write_int(molID); } static void DisplayMoleculeMask(AW_root */*awr */){ RNA3D->bDisplayMask = !RNA3D->bDisplayMask; RefreshOpenGLDisplay(); } /*---------------------------- Creating WINDOWS ------------------------------ */ static void AddCallBacks(AW_root *awr) { // adding callbacks to the awars to refresh the display if received any changes // General Molecule Display Section awr->awar(AWAR_3D_MOL_BACKBONE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MOL_COLORIZE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MOL_SIZE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MOL_DISP_POS)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MOL_ROTATE)->add_callback(RotateMoleculeStateChanged_cb); awr->awar(AWAR_3D_MOL_POS_INTERVAL)->add_callback(DisplayPostionsIntervalChanged_CB); awr->awar(AWAR_3D_CURSOR_POSITION)->add_callback(RefreshCanvas); awr->awar(AWAR_CURSOR_POSITION)->add_callback(CursorPositionChanged_CB); // Display Base Section awr->awar(AWAR_3D_DISPLAY_BASES)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_DISPLAY_SIZE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_BASES_MODE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_BASES_HELIX)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_BASES_UNPAIRED_HELIX)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_BASES_NON_HELIX)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_SHAPES_HELIX)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_SHAPES_UNPAIRED_HELIX)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_SHAPES_NON_HELIX)->add_callback(RefreshCanvas); // Display Helix Section awr->awar(AWAR_3D_DISPLAY_HELIX)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_HELIX_BACKBONE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_HELIX_MIDPOINT)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_HELIX_FROM)->add_callback(DisplayHelixNrsChanged_CB); awr->awar(AWAR_3D_HELIX_TO)->add_callback(DisplayHelixNrsChanged_CB); awr->awar(AWAR_3D_HELIX_NUMBER)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_HELIX_SIZE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_DISPLAY_TERTIARY_INTRACTIONS)->add_callback(RefreshCanvas); // Mapping Sequence Data Section awr->awar(AWAR_SPECIES_NAME)->add_callback(MapSelectedSpeciesChanged_CB); awr->awar(AWAR_3D_MAP_ENABLE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SAI)->add_callback(RefreshCanvas); awr->awar(AWAR_SAI_GLOBAL)->add_callback(MapSaiToEcoliTemplateChanged_CB); awr->awar(AWAR_3D_MAP_SEARCH_STRINGS)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES_DISP_BASE)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES_DISP_POS)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES_DISP_DELETIONS)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES_DISP_MISSING)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS_INFO)->add_callback(RefreshCanvas); awr->awar(AWAR_3D_DISPLAY_MASK)->add_callback(DisplayMoleculeMask); awr->awar(AWAR_3D_23S_RRNA_MOL)->add_callback(Change3DMolecule_CB); } static void RefreshMappingDisplay(AW_window */*aw */) { // Refreshes the SAI Display if and when ... // 1.Changes made to SAI related settings in EDIT4 and not updated automatically // 2.Colors related to SAI Display changed in RNA3D Application MapSaiToEcoliTemplateChanged_CB(RNA3D->root); // Refreshes the Search Strings Display if // Colors related to Search Strings changed in RNA3D Application // and not updated automatically MapSearchStringsToEcoliTemplateChanged_CB(RNA3D->root); // Resetting the Molecule Transformations // 1.Reset the Molecule view to Center of the viewer (default view). // 2.Zoom the Molecule to fit to window (default zoom). RNA3D->Center = Vector3(0.0, 0.0, 0.0); RNA3D->scale = 0.01; RefreshCanvas(RNA3D->root); } static AW_window *CreateDisplayBases_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "DISPLAY_BASES", "RNA3D : Display BASES"); aws->load_xfig("RNA3D_DisplayBases.fig"); aws->callback( AW_POPUP_HELP,(AW_CL)"rna3d_dispBases.hlp"); aws->at("help"); aws->button_length(0); aws->create_button("HELP","#help.xpm"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->button_length(0); aws->create_button("CLOSE","#closeText.xpm"); { // Display Bases Section aws->at("dispBases"); aws->create_toggle(AWAR_3D_DISPLAY_BASES); aws->at("helix"); aws->create_toggle(AWAR_3D_BASES_HELIX); aws->at("unpairHelix"); aws->create_toggle(AWAR_3D_BASES_UNPAIRED_HELIX); aws->at("nonHelix"); aws->create_toggle(AWAR_3D_BASES_NON_HELIX); aws->at("shapesSize"); aws->create_input_field(AWAR_3D_DISPLAY_SIZE, 5); aws->at("basesMode"); aws->create_toggle_field(AWAR_3D_BASES_MODE,0); aws->insert_toggle("CHARACTERS", "C", 0); aws->insert_toggle("SHAPES", "S", 1); aws->update_toggle_field(); aws->at("spHelix"); aws->create_toggle_field(AWAR_3D_SHAPES_HELIX,1); aws->insert_toggle("#circle.bitmap", "C", 0); aws->insert_toggle("#diamond.bitmap", "D", 1); aws->insert_toggle("#polygon.bitmap", "P", 2); aws->insert_toggle("#star.bitmap", "S", 3); aws->insert_toggle("#rectangle.bitmap", "R", 4); aws->update_toggle_field(); aws->at("spUnpairedHelix"); aws->create_toggle_field(AWAR_3D_SHAPES_UNPAIRED_HELIX,1); aws->insert_toggle("#circle.bitmap", "C", 0); aws->insert_toggle("#diamond.bitmap", "D", 1); aws->insert_toggle("#polygon.bitmap", "P", 2); aws->insert_toggle("#star.bitmap", "S", 3); aws->insert_toggle("#rectangle.bitmap", "R", 4); aws->update_toggle_field(); aws->at("spNonHelix"); aws->create_toggle_field(AWAR_3D_SHAPES_NON_HELIX,1); aws->insert_toggle("#circle.bitmap", "C", 0); aws->insert_toggle("#diamond.bitmap", "D", 1); aws->insert_toggle("#polygon.bitmap", "P", 2); aws->insert_toggle("#star.bitmap", "S", 3); aws->insert_toggle("#rectangle.bitmap", "R", 4); aws->update_toggle_field(); } aws->show(); return (AW_window *)aws; } static AW_window *CreateDisplayHelices_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "DISPLAY_HELICES", "RNA3D : Display HELICES"); aws->load_xfig("RNA3D_DisplayHelices.fig"); aws->callback( AW_POPUP_HELP,(AW_CL)"rna3d_dispHelices.hlp"); aws->at("help"); aws->button_length(0); aws->create_button("HELP","#help.xpm"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->button_length(0); aws->create_button("CLOSE","#closeText.xpm"); { // Display Helices Section aws->at("dispHelix"); aws->create_toggle(AWAR_3D_DISPLAY_HELIX); aws->at("backbone"); aws->create_toggle(AWAR_3D_HELIX_BACKBONE); aws->at("midHelix"); aws->create_toggle(AWAR_3D_HELIX_MIDPOINT); aws->at("helixNr"); aws->create_toggle(AWAR_3D_HELIX_NUMBER); aws->at("from"); aws->create_input_field(AWAR_3D_HELIX_FROM, 5); aws->at("to"); aws->create_input_field(AWAR_3D_HELIX_TO, 5); aws->at("helixSize"); aws->create_input_field(AWAR_3D_HELIX_SIZE, 5); { const char *helixRange; Structure3D *s; #if defined(DEVEL_RALF) #warning s is not initialized here #endif // DEVEL_RALF int rnaType = s->FindTypeOfRNA(); switch (rnaType) { case LSU_23S: helixRange = "[1-101]"; break; case SSU_16S: helixRange = "[1-50]"; break; case LSU_5S: helixRange = "[1-5]"; break; } aws->at("rangeLabel"); aws->create_autosize_button(0,helixRange); } aws->at("dispTI"); aws->create_toggle(AWAR_3D_DISPLAY_TERTIARY_INTRACTIONS); } aws->show(); return (AW_window *)aws; } static AW_window *CreateDisplayOptions_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "GENERAL_DISPLAY", "RNA3D : General Display "); aws->load_xfig("RNA3D_DisplayOptions.fig"); aws->callback( AW_POPUP_HELP,(AW_CL)"rna3d_dispMolecule.hlp"); aws->at("help"); aws->button_length(0); aws->create_button("HELP","#help.xpm"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->button_length(0); aws->create_button("CLOSE","#closeText.xpm"); { // Display Molecule Section aws->at("backbone"); aws->create_toggle(AWAR_3D_MOL_BACKBONE); aws->at("color"); aws->create_toggle(AWAR_3D_MOL_COLORIZE); aws->at("dispPos"); aws->create_toggle(AWAR_3D_MOL_DISP_POS); aws->at("rot"); aws->create_toggle(AWAR_3D_MOL_ROTATE); aws->at("pos"); aws->create_input_field(AWAR_3D_MOL_POS_INTERVAL, 2); aws->at("molSize"); aws->create_input_field(AWAR_3D_MOL_SIZE, 5); aws->at("cp"); aws->create_toggle(AWAR_3D_CURSOR_POSITION); } aws->show(); return (AW_window *)aws; } static AW_window *CreateMapSequenceData_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "MAP_SPECIES", "RNA3D : Map Sequence Data "); aws->load_xfig("RNA3D_SeqMapping.fig"); aws->callback( AW_POPUP_HELP,(AW_CL)"rna3d_mapSeqData.hlp"); aws->at("help"); aws->button_length(0); aws->create_button("HELP","#help.xpm"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->button_length(0); aws->create_button("CLOSE","#closeText.xpm"); aws->callback(SyncronizeColorsWithEditor); aws->at("sync"); aws->button_length(35); aws->create_button("SYNC","SYNCHRONIZE COLORS WITH EDITOR"); { // Display Map Current Species Section aws->at("en"); aws->create_toggle(AWAR_3D_MAP_ENABLE); aws->at("src"); aws->create_toggle(AWAR_3D_MAP_SEARCH_STRINGS); aws->at("sai"); aws->create_toggle(AWAR_3D_MAP_SAI); aws->callback(RefreshMappingDisplay); aws->at("ref"); aws->button_length(0); aws->create_button("REFRESH","#refresh.xpm"); aws->at("sp"); aws->create_toggle(AWAR_3D_MAP_SPECIES); aws->at("base"); aws->create_toggle(AWAR_3D_MAP_SPECIES_DISP_BASE); aws->at("pos"); aws->create_toggle(AWAR_3D_MAP_SPECIES_DISP_POS); aws->at("del"); aws->create_toggle(AWAR_3D_MAP_SPECIES_DISP_DELETIONS); aws->at("mis"); aws->create_toggle(AWAR_3D_MAP_SPECIES_DISP_MISSING); aws->at("ins"); aws->create_toggle(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS); aws->at("bs"); aws->create_toggle(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS_INFO); } aws->show(); return (AW_window *)aws; } static AW_window *CreateChangeMolecule_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "CHANGE_MOLECULE", "RNA3D : Change 3D Molecule"); aws->load_xfig("RNA3D_ChangeMolecule.fig"); aws->callback( AW_POPUP_HELP,(AW_CL)"rna3d_changeMolecule.hlp"); aws->at("help"); aws->button_length(0); aws->create_button("HELP","#help.xpm"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->button_length(0); aws->create_button("CLOSE","#closeText.xpm"); aws->callback(Change3DMolecule,1); aws->at("1pnu"); aws->button_length(73); aws->create_button(0,"1PNU: 8.7 A^ Vila-Sanjurjo et al. Proc.Nat.Acad.Sci.(2003) 100, 8682."); aws->callback(Change3DMolecule,2); aws->at("1vor"); aws->button_length(73); aws->create_button(0,"1VOR: 11.5 A^ Vila-Sanjurjo et al. Nat.Struct.Mol.Biol.(2004) 11, 1054."); aws->callback(Change3DMolecule,3); aws->at("1c2w"); aws->button_length(73); aws->create_button(0,"1C2W: 7.5 A^ Mueller et al. J.Mol.Biol.(2000) 298, 35-59.", 0, "white"); aws->show(); return (AW_window *)aws; } static AW_window *CreateHelp_window(AW_root *aw_root) { static AW_window_simple *aws = 0; if (aws) return (AW_window *)aws; aws = new AW_window_simple; aws->init( aw_root, "HELP", "RNA3D : Display Options & Shortcuts"); aws->load_xfig("RNA3D_Help.fig"); aws->button_length(0); aws->callback( AW_POPUP_HELP,(AW_CL)"rna3d_general.hlp"); aws->at("help"); aws->create_button("HELP","#help.xpm"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","#closeText.xpm"); aws->at("reload"); aws->create_button("reload","#refresh.xpm"); aws->at("color"); aws->create_button("colors", "#colors.xpm"); aws->at("base"); aws->create_button("displayBases", "#bases.xpm"); aws->at("helix"); aws->create_button("displayHelix", "#helix.xpm"); aws->at("mol"); aws->create_button("displayMolecule", "#molText.xpm"); aws->at("map"); aws->create_button("mapSpecies", "#mapping.xpm"); aws->at("check"); aws->create_button("check", "#check.xpm"); aws->at("uncheck"); aws->create_button("uncheck", "#uncheck.xpm"); aws->at("mask"); aws->create_button("mask", "#mask.xpm"); aws->at("unmask"); aws->create_button("unmask", "#unmask.xpm"); aws->at("exit"); aws->create_button("exit", "#quit.xpm"); aws->show(); return (AW_window *)aws; } AW_window *CreateRNA3DMainWindow(AW_root *awr){ // Main Window - Canvas on which the actual painting is done extern GBDATA *GLOBAL_gb_main; GB_transaction dummy(GLOBAL_gb_main); awr->awar_int(AWAR_3D_SAI_SELECTED, 0, AW_ROOT_DEFAULT); RNA3D_init_global_data(); awm = new AW_window_menu_modes_opengl(); awm->init(awr,"RNA3D", "RNA3D: 3D Structure of Ribosomal RNA", WINDOW_WIDTH, WINDOW_HEIGHT); AW_gc_manager aw_gc_manager; RNA3D_Graphics *rna3DGraphics = new RNA3D_Graphics(awr,GLOBAL_gb_main); Structure3D::gb_main = GLOBAL_gb_main; RNA3D->gl_Canvas = new AWT_canvas(Structure3D::gb_main,awm, rna3DGraphics, aw_gc_manager,AWAR_SPECIES_NAME); RNA3D->gl_Canvas->recalc_size(); RNA3D->gl_Canvas->refresh(); RNA3D->gl_Canvas->set_mode(AWT_MODE_NONE); awm->create_menu("File", "F", 0, AWM_ALL ); { Structure3D *s; int rnaType = s->FindTypeOfRNA(); if (rnaType == LSU_23S) awm->insert_menu_topic( "changeMolecule", "Change Molecule", "M","rna3d_changeMolecule.hlp", AWM_ALL, AW_POPUP, (AW_CL)CreateChangeMolecule_window, 0); } awm->insert_menu_topic( "close", "Close", "C","quit.hlp", AWM_ALL, (AW_CB)AW_POPDOWN, 0, 0); { awm->at(1,2); awm->auto_space(2,0); awm->shadow_width(1); int cur_x, cur_y, start_x, first_line_y, second_line_y; awm->get_at_position( &start_x,&first_line_y); awm->button_length(0); awm->callback( (AW_CB0)AW_POPDOWN ); awm->create_button("Quit", "#quit.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(RefreshMappingDisplay); awm->button_length(0); awm->create_button("REFRESH","#refresh.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->button_length(0); awm->create_toggle(AWAR_3D_DISPLAY_MASK, "#unmask.xpm", "#mask.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(AW_POPUP,(AW_CL)AW_create_gc_window,(AW_CL)aw_gc_manager); awm->button_length(0); awm->create_button("setColors", "#colors.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(AW_POPUP,(AW_CL)CreateDisplayBases_window,(AW_CL)0); awm->button_length(0); awm->create_button("displayBases", "#basesText.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->at(cur_x-10, cur_y); awm->create_toggle(AWAR_3D_DISPLAY_BASES, "#uncheck.xpm", "#check.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(AW_POPUP,(AW_CL)CreateDisplayHelices_window,(AW_CL)0); awm->button_length(0); awm->create_button("displayHelix", "#helixText.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->at(cur_x-10, cur_y); awm->create_toggle(AWAR_3D_DISPLAY_HELIX, "#uncheck.xpm", "#check.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(AW_POPUP,(AW_CL)CreateDisplayOptions_window,(AW_CL)0); awm->button_length(0); awm->create_button("displayMolecule", "#molText.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(AW_POPUP,(AW_CL)CreateMapSequenceData_window,(AW_CL)0); awm->button_length(0); awm->create_button("mapSpecies", "#mapping.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->at(cur_x-10, cur_y); awm->create_toggle(AWAR_3D_MAP_ENABLE, "#uncheck.xpm", "#check.xpm"); awm->get_at_position( &cur_x,&cur_y ); awm->callback(AW_POPUP,(AW_CL)CreateHelp_window,(AW_CL)0); awm->button_length(0); awm->create_button("help", "#helpText.xpm"); awm->at_newline(); awm->get_at_position( &cur_x,&second_line_y); awm->create_autosize_button(0," Spacebar = auto rotate mode on/off | Mouse Left Button + Move = Rotates Molecule | Mouse Wheel = Zoom in/out"); } AddCallBacks(awr); RNA3D->root = awr; appContext = AW_get_XtAppContext(awr); RNA3D->OpenGLEngineState = NOT_CREATED; /** Add event handlers */ Widget middle_area_widget = AW_get_AreaWidget(RNA3D->gl_Canvas->aww, AW_MIDDLE_AREA); XtAddEventHandler(middle_area_widget, StructureNotifyMask, 0, ResizeOpenGLWindow, (XtPointer)0); XtAddEventHandler(middle_area_widget, ExposureMask, 0, ExposeOpenGLWindow, (XtPointer)0); XtAddEventHandler(middle_area_widget, KeyPressMask, 0, KeyPressEventHandler, (XtPointer)0); XtAddEventHandler(middle_area_widget, KeyReleaseMask, 0, KeyReleaseEventHandler, (XtPointer)0); XtAddEventHandler(middle_area_widget, ButtonPressMask, 0, ButtonPressEventHandler, (XtPointer)0); XtAddEventHandler(middle_area_widget, ButtonReleaseMask, 0, ButtonReleaseEventHandler, (XtPointer)0); XtAddEventHandler(middle_area_widget, PointerMotionMask, 0, MouseMoveEventHandler, (XtPointer)0); #ifdef DEBUG cout<<"RNA3D: OpenGL Window created!"< #include #include using namespace std; static void CreateRNA3DAwars(AW_root *root){ // Display Base Section root->awar_int(AWAR_3D_DISPLAY_BASES, 0, AW_ROOT_DEFAULT); root->awar_float(AWAR_3D_DISPLAY_SIZE, 10, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_BASES_MODE, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_BASES_HELIX, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_BASES_UNPAIRED_HELIX, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_BASES_NON_HELIX, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_SHAPES_HELIX, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_SHAPES_UNPAIRED_HELIX, 3, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_SHAPES_NON_HELIX, 1, AW_ROOT_DEFAULT); //Display Helix Section root->awar_int(AWAR_3D_DISPLAY_HELIX, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_HELIX_BACKBONE, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_HELIX_MIDPOINT, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_HELIX_FROM, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_HELIX_TO, 50, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_HELIX_NUMBER, 0, AW_ROOT_DEFAULT); root->awar_float(AWAR_3D_HELIX_SIZE, 0.5, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_DISPLAY_TERTIARY_INTRACTIONS, 0, AW_ROOT_DEFAULT); // Genral Molecule Display Section root->awar_int(AWAR_3D_MOL_BACKBONE, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MOL_COLORIZE, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES_DISP_BASE, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES_DISP_POS, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES_DISP_DELETIONS, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES_DISP_MISSING, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS, 1, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS_INFO, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_CURSOR_POSITION, 0, AW_ROOT_DEFAULT); root->awar_float(AWAR_3D_MOL_SIZE, 0.5, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MOL_DISP_POS, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MOL_ROTATE, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MOL_POS_INTERVAL, 25, AW_ROOT_DEFAULT); root->awar_string(AWAR_3D_SELECTED_SPECIES, "", AW_ROOT_DEFAULT); //Display SAI Section root->awar_int(AWAR_3D_MAP_SAI, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_ENABLE, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_MAP_SEARCH_STRINGS, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_DISPLAY_MASK, 0, AW_ROOT_DEFAULT); root->awar_int(AWAR_3D_23S_RRNA_MOL, 3, AW_ROOT_DEFAULT); } void RNA3D_StartApplication(AW_root *awr){ CreateRNA3DAwars(awr); // Creating and Initialising Motif/OpenGL window and // rendering the structure { static AW_window *aw_3D = 0; if (!aw_3D) { // do not open window twice aw_3D = CreateRNA3DMainWindow(awr); if (!aw_3D) { GB_ERROR err = GB_get_error(); aw_message(GBS_global_string("Couldn't start Ribosomal RNA 3D Structure Tool.\nReason: %s", err)); return ; } } aw_3D->show(); } } ./arbsrc_9167/RNA3D/RNA3D_Main.hxx0000644012664100000130000000005511440743000016243 0ustar arb_buildcoders void RNA3D_StartApplication(AW_root *awr); ./arbsrc_9167/RNA3D/RNA3D_OpenGLEngine.cxx0000644012664100000130000004461211440743000017633 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include "RNA3D_Global.hxx" #include "RNA3D_OpenGLEngine.hxx" #include "RNA3D_OpenGLGraphics.hxx" #include "RNA3D_StructureData.hxx" #include "RNA3D_Textures.hxx" #include "RNA3D_Renderer.hxx" #include "RNA3D_Graphics.hxx" #include "RNA3D_Interface.hxx" #include #include #include #include // -------------------------------------------------------------------------------- // global data RNA3D_Global *RNA3D = 0; char globalComment[1000]; void RNA3D_init_global_data() { if (!RNA3D) { RNA3D = new RNA3D_Global(); } } RNA3D_Global::RNA3D_Global(){ OpenGLEngineState = -1; iRotateMolecule = 0; bPointSpritesSupported = false; bEColiRefInitialised = false; bMapSaiDispListCreated = false; bAutoRotate = false; bRotateMolecule = false; bDisplayMask = false; bDisplayComments = false; bMapSearchStringsDispListCreated = false; ROTATION_SPEED = 0.5; scale = 0.01; cGraphics = new OpenGLGraphics(); cStructure = new Structure3D(); cTexture = new Texture2D(); cRenderer = new GLRenderer(); Viewer = Vector3(0.0, 0.0, -2); Center = Vector3(0.0, 0.0, 0.0); Up = Vector3(0.0, 1.0, 0.0); } RNA3D_Global::~RNA3D_Global() { delete cGraphics; delete cStructure; delete cTexture; delete cRenderer; } // end of global data section // -------------------------------------------------------------------------------- static float fAspectRatio; const float fViewAngle = 40.0; const float fClipNear = 0.5f; const float fClipFar = 100; // GBDATA *OpenGL_gb_main; static Display *dpy; static GLXContext glx_context; static int DoubleBufferWithAlpha[] = { GLX_RGBA, GLX_DEPTH_SIZE, 12, GLX_RED_SIZE, 4, GLX_GREEN_SIZE, 4, GLX_BLUE_SIZE, 4, GLX_ALPHA_SIZE, 4, GLX_DOUBLEBUFFER, None }; static int DoubleBuffer[] = { GLX_RGBA, GLX_DEPTH_SIZE, 12, GLX_RED_SIZE, 4, GLX_GREEN_SIZE, 4, GLX_BLUE_SIZE, 4, GLX_DOUBLEBUFFER, None }; static int SingleBuffer[] = { GLX_RGBA, GLX_DEPTH_SIZE, 12, GLX_RED_SIZE, 4, GLX_GREEN_SIZE, 4, GLX_BLUE_SIZE, 4, None }; static GLfloat rotation_matrix[16]; static GLfloat rot_x = 0.0, rot_y = 0.0; static int iScreenWidth, iScreenHeight; static bool bMapSpDispListCreated = false; static bool bCursorPosDispListCreated = false; static bool bHelixNrDispListCreated = false; using namespace std; void ShowVendorInformation(){ const GLubyte *vendor = NULL; vendor = glGetString(GL_VENDOR); cout<<"Vendor : "< 0) { printf("ERROR: Some needed extensions are not present:%s\n",missingExtensions); char dummy; scanf( "%c",&dummy); exit(-1); } else { #ifdef DEBUG printf("DEBUG: All mandatory extensions seem to be ok.\n"); #endif // DEBUG } // the following code checks if point sprites could be used and activates them if possible missingExtensions[0] = 0; if (!GLEW_EXT_point_parameters) strcat(missingExtensions,"\nGL_EXT_point_parameters"); if (!GLEW_ARB_point_sprite) strcat(missingExtensions,"\nGL_ARB_point_sprite"); if (strlen(missingExtensions) > 0) { printf("Some extra extensions are not present:%s\n",missingExtensions); printf("Molecule Display: Quality of Rendering is LOW!!\n"); RNA3D->bPointSpritesSupported = false; } else { #ifdef DEBUG printf("DEBUG: All extra extensions seem to be ok as well.\n"); #endif // DEBUG RNA3D->bPointSpritesSupported = true ; } } void ReshapeOpenGLWindow( GLint width, GLint height ) { iScreenWidth = width; iScreenHeight = height; fAspectRatio = (float) width / (float) height; glViewport( 0, 0, width, height ); glMatrixMode( GL_PROJECTION ); glLoadIdentity(); gluPerspective( fViewAngle, fAspectRatio, fClipNear, fClipFar ); glMatrixMode( GL_MODELVIEW ); glLoadIdentity(); } void InitializeOpenGLEngine(GLint width, GLint height ) { cout<<"RNA3D: Initializing OpenGLEngine : "<saved_x = RNA3D->saved_y = 2.0f; ComputeRotationXY(1,1); //Get Information about Vendor & Version ShowVendorInformation(); GLenum err = glewInit(); if (GLEW_OK != err){ /* problem: glewInit failed, something is seriously wrong */ fprintf(stderr, "Error: %s\n", glewGetErrorString(err)); } fprintf(stdout, "Status: Using GLEW %s\n", glewGetString(GLEW_VERSION)); initExtensions(); { // Preparing secondary structure masks for RNA3D program // RNA3D->cStructure->PrepareSecondaryStructureData(); } // Prepare the structure Data and Generate Display Lists RNA3D->cStructure->ReadCoOrdinateFile(); // Reading Structure information RNA3D->cStructure->GetSecondaryStructureInfo(); // Getting Secondary Structure Information RNA3D->cStructure->Combine2Dand3DstructureInfo(); // Combining Secondary Structure data with 3D Coordinates RNA3D->cStructure->GenerateDisplayLists(); // Generating Display Lists for Rendering // Generate Textures RNA3D->cTexture->LoadGLTextures(); // Load The Texture(s) glShadeModel(GL_SMOOTH); glClearColor(0,0,0,1); glClearDepth(1.0f); glEnable(GL_DEPTH_TEST); // Enables Depth Testing glDepthFunc(GL_LEQUAL); // The Type Of Depth Test To Do // glHint(GL_CLIP_VOLUME_CLIPPING_HINT_EXT,GL_DONT_CARE); glHint(GL_PERSPECTIVE_CORRECTION_HINT, GL_NICEST); glEnable(GL_TEXTURE_2D); // Enable Texture Mapping ReshapeOpenGLWindow(width,height); CalculateRotationMatrix(); } void ComputeRotationXY(int x, int y) { GLfloat dx, dy; dx = RNA3D->saved_x - x; dy = RNA3D->saved_y - y; rot_y = (GLfloat)(x - RNA3D->saved_x) * RNA3D->ROTATION_SPEED; rot_x = (GLfloat)(y - RNA3D->saved_y) * RNA3D->ROTATION_SPEED; RNA3D->saved_x = x; RNA3D->saved_y = y; } void CalculateRotationMatrix(){ static int initialized = 0; GLfloat new_rotation_matrix[16]; /* calculate new rotation matrix */ glPushMatrix(); glLoadIdentity(); glRotatef(-rot_x, 1.0, 0.0, 0.0); glRotatef(rot_y, 0.0, 1.0, 0.0); glGetFloatv(GL_MODELVIEW_MATRIX, new_rotation_matrix); glPopMatrix(); /* calculate total rotation */ glPushMatrix(); glLoadIdentity(); glMultMatrixf(new_rotation_matrix); if (initialized) { glMultMatrixf(rotation_matrix); } glGetFloatv(GL_MODELVIEW_MATRIX, rotation_matrix); initialized = 1; glPopMatrix(); } void MapDisplayParameters(AW_root *root){ GLRenderer *cRenderer = RNA3D->cRenderer; Structure3D *cStructure = RNA3D->cStructure; // General Molecule Display Section cRenderer->iBackBone = root->awar(AWAR_3D_MOL_BACKBONE)->read_int(); cRenderer->iColorise = root->awar(AWAR_3D_MOL_COLORIZE)->read_int(); cRenderer->fSkeletonSize = root->awar(AWAR_3D_MOL_SIZE)->read_float(); cRenderer->iDispPos = root->awar(AWAR_3D_MOL_DISP_POS)->read_int(); cStructure->iInterval = root->awar(AWAR_3D_MOL_POS_INTERVAL)->read_int(); cRenderer->iDispCursorPos = root->awar(AWAR_3D_CURSOR_POSITION)->read_int(); RNA3D->iRotateMolecule = root->awar(AWAR_3D_MOL_ROTATE)->read_int(); // Display Bases Section cRenderer->iDisplayBases = root->awar(AWAR_3D_DISPLAY_BASES)->read_int(); cRenderer->ObjectSize = root->awar(AWAR_3D_DISPLAY_SIZE)->read_float(); cRenderer->iBaseMode = root->awar(AWAR_3D_BASES_MODE)->read_int(); cRenderer->iBaseHelix = root->awar(AWAR_3D_BASES_HELIX)->read_int(); cRenderer->iBaseUnpairHelix = root->awar(AWAR_3D_BASES_UNPAIRED_HELIX)->read_int(); cRenderer->iBaseNonHelix = root->awar(AWAR_3D_BASES_NON_HELIX)->read_int(); cRenderer->iShapeHelix = root->awar(AWAR_3D_SHAPES_HELIX)->read_int(); cRenderer->iShapeUnpairHelix = root->awar(AWAR_3D_SHAPES_UNPAIRED_HELIX)->read_int(); cRenderer->iShapeNonHelix = root->awar(AWAR_3D_SHAPES_NON_HELIX)->read_int(); //Display Helices Section cRenderer->iDisplayHelix = root->awar(AWAR_3D_DISPLAY_HELIX)->read_int(); cRenderer->iHelixMidPoint = root->awar(AWAR_3D_HELIX_MIDPOINT)->read_int(); cRenderer->iHelixNrs = root->awar(AWAR_3D_HELIX_NUMBER)->read_int(); cRenderer->fHelixSize = root->awar(AWAR_3D_HELIX_SIZE)->read_float(); cRenderer->iHelixBackBone = root->awar(AWAR_3D_HELIX_BACKBONE)->read_int(); cRenderer->iStartHelix = root->awar(AWAR_3D_HELIX_FROM)->read_int(); cRenderer->iEndHelix = root->awar(AWAR_3D_HELIX_TO)->read_int(); cRenderer->iDispTerInt = root->awar(AWAR_3D_DISPLAY_TERTIARY_INTRACTIONS)->read_int(); // Mapping Sequence Data Section cStructure->iMapSAI = root->awar(AWAR_3D_MAP_SAI)->read_int(); cStructure->iMapSearch = root->awar(AWAR_3D_MAP_SEARCH_STRINGS)->read_int(); cStructure->iMapEnable = root->awar(AWAR_3D_MAP_ENABLE)->read_int(); cRenderer->iMapSpecies = root->awar(AWAR_3D_MAP_SPECIES)->read_int(); cRenderer->iMapSpeciesBase = root->awar(AWAR_3D_MAP_SPECIES_DISP_BASE)->read_int(); cRenderer->iMapSpeciesPos = root->awar(AWAR_3D_MAP_SPECIES_DISP_POS)->read_int(); cRenderer->iMapSpeciesDels = root->awar(AWAR_3D_MAP_SPECIES_DISP_DELETIONS)->read_int(); cRenderer->iMapSpeciesMiss = root->awar(AWAR_3D_MAP_SPECIES_DISP_MISSING)->read_int(); cRenderer->iMapSpeciesIns = root->awar(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS)->read_int(); cRenderer->iMapSpeciesInsInfo = root->awar(AWAR_3D_MAP_SPECIES_DISP_INSERTIONS_INFO)->read_int(); { // Validation of Helix Numbers entered by the User int NoOfHelices = 0; int rnaType = cStructure->FindTypeOfRNA(); switch (rnaType){ case LSU_23S: NoOfHelices = 101; break; case SSU_16S: NoOfHelices = 50; break; case LSU_5S: NoOfHelices = 5; break; } if (cRenderer->iStartHelix < 1 || cRenderer->iStartHelix > NoOfHelices ) { cout<<"Invalid Helix NUMBER !!"<awar(AWAR_3D_HELIX_FROM)->write_int(1); } if (cRenderer->iEndHelix < 1 || cRenderer->iEndHelix > NoOfHelices ) { cout<<"Invalid Helix NUMBER !!"<awar(AWAR_3D_HELIX_TO)->write_int(NoOfHelices); } if(cRenderer->iStartHelix > cRenderer->iEndHelix) { root->awar(AWAR_3D_HELIX_FROM)->write_int(cRenderer->iEndHelix - 1); } else if(cRenderer->iEndHelix < cRenderer->iStartHelix) { root->awar(AWAR_3D_HELIX_TO)->write_int(cRenderer->iStartHelix + 1); } } // Generation of DisplayLists for displaying Helix Numbers if (!bHelixNrDispListCreated && (cRenderer->iHelixNrs || cRenderer->iHelixMidPoint)) { cStructure->GenerateHelixNrDispList(cRenderer->iStartHelix, cRenderer->iEndHelix); bHelixNrDispListCreated = true; } // Validation of Base Position display if(cStructure->iInterval < 1) { cout<<"WARNING: Invalid POSITION Interval!! Setting it to Default Value (25)."<awar(AWAR_3D_MOL_POS_INTERVAL)->write_int(25); } if (cStructure->iMapEnable) { if (cStructure->iMapSearch) { if (!RNA3D->bMapSearchStringsDispListCreated) { cStructure->MapSearchStringsToEcoliTemplate(root); } } if (cStructure->iMapSAI) { if (!RNA3D->bMapSaiDispListCreated) { cStructure->MapSaiToEcoliTemplate(root); } } if(!bMapSpDispListCreated) { cStructure->MapCurrentSpeciesToEcoliTemplate(root); bMapSpDispListCreated = true; } } } void DisplayPostionsIntervalChanged_CB(AW_root *awr) { MapDisplayParameters(awr); glDeleteLists(STRUCTURE_POS,2); RNA3D->cStructure->ComputeBasePositions(); RefreshOpenGLDisplay(); } void MapSelectedSpeciesChanged_CB(AW_root *awr) { // If Selected Species (in Primary Editor) changed and // the MapSpecies display lists created then, // 1. Delete the display lists; // 2. Recalculate the Display lists for current species; // 3. Map it to EColi Template; if (RNA3D->cStructure->iMapEnable && RNA3D->cRenderer->iMapSpecies && bMapSpDispListCreated) { glDeleteLists(MAP_SPECIES_BASE_DIFFERENCE,9); RNA3D->cStructure->MapCurrentSpeciesToEcoliTemplate(awr); } // If selected species changed then regenerate the SearchStrings DisplayList MapSearchStringsToEcoliTemplateChanged_CB(awr); RefreshOpenGLDisplay(); } void MapSaiToEcoliTemplateChanged_CB(AW_root *awr) { //if SAI changed in EDIT4 then diplay lists should be recalculated if (RNA3D->cStructure->iMapEnable && RNA3D->cStructure->iMapSAI && RNA3D->bMapSaiDispListCreated ) { RNA3D->bMapSaiDispListCreated = false; glDeleteLists(MAP_SAI_TO_STRUCTURE,1); RNA3D->cStructure->MapSaiToEcoliTemplate(awr); } RefreshOpenGLDisplay(); } void MapSearchStringsToEcoliTemplateChanged_CB(AW_root *awr) { // If selected species changed then regenerate the // SearchStrings DisplayList if (RNA3D->cStructure->iMapEnable && RNA3D->cStructure->iMapSearch && RNA3D->bMapSearchStringsDispListCreated) { RNA3D->bMapSearchStringsDispListCreated = false; glDeleteLists(MAP_SEARCH_STRINGS_TO_STRUCTURE,2); RNA3D->cStructure->MapSearchStringsToEcoliTemplate(awr); } } void CursorPositionChanged_CB(AW_root *awr) { if(RNA3D->bEColiRefInitialised) { long iCursorPos = awr->awar(AWAR_CURSOR_POSITION)->read_int(); long EColiPos = RNA3D->cStructure->EColiRef->abs_2_rel(iCursorPos); if (!bCursorPosDispListCreated) { RNA3D->cStructure->GenerateCursorPositionDispList(EColiPos); bMapSpDispListCreated = true; } else { glDeleteLists(ECOLI_CURSOR_POSITION,1); RNA3D->cStructure->GenerateCursorPositionDispList(EColiPos); } RefreshOpenGLDisplay(); } } void DisplayHelixNrsChanged_CB(AW_root *awr) { MapDisplayParameters(awr); int iStart = RNA3D->cRenderer->iStartHelix; int iEnd = RNA3D->cRenderer->iEndHelix; if (!bHelixNrDispListCreated) { RNA3D->cStructure->GenerateHelixNrDispList(iStart, iEnd); bHelixNrDispListCreated = true; } else { glDeleteLists(HELIX_NUMBERS, 2); RNA3D->cStructure->GenerateHelixNrDispList(iStart, iEnd); } RefreshOpenGLDisplay(); } void DrawStructure(){ GLRenderer *cRenderer = RNA3D->cRenderer; // Drawing Molecule Skeleton cRenderer->DisplayMolecule(RNA3D->cStructure); // Mapping Helices to The molecule cRenderer->DoHelixMapping(); // Texture Mapping cRenderer->BeginTexturizer(); cRenderer->TexturizeStructure(RNA3D->cTexture, RNA3D->cStructure); cRenderer->EndTexturizer(); } void RenderOpenGLScene(Widget w){ glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT);// | GL_STENCIL_BUFFER_BIT); // setting the BackGround Color of the OpenGL Scene RNA3D->cGraphics->SetOpenGLBackGroundColor(); glLoadIdentity(); gluLookAt(RNA3D->Viewer.x, RNA3D->Viewer.y, RNA3D->Viewer.z, RNA3D->Center.x, RNA3D->Center.y, RNA3D->Center.z, RNA3D->Up.x, RNA3D->Up.y, RNA3D->Up.z); {// Displaying Molecule Name RNA3D->cRenderer->DisplayMoleculeName(iScreenWidth, iScreenHeight, RNA3D->cStructure); } glScalef(RNA3D->scale, RNA3D->scale, RNA3D->scale); RNA3D->cRenderer->DisplayMoleculeMask(iScreenWidth, iScreenHeight); if(RNA3D->bRotateMolecule || RNA3D->bAutoRotate) { CalculateRotationMatrix(); } glMultMatrixf(rotation_matrix); Vector3& strCen = *RNA3D->cStructure->strCen; glTranslatef(-strCen.x, -strCen.y, -strCen.z); DrawStructure(); glFlush(); glXWaitX(); glXSwapBuffers ( XtDisplay( w ), XtWindow( w ) ); } void InitializeOpenGLWindow( Widget w ) { if (RNA3D->OpenGLEngineState == CREATED) return; Arg args[1]; XVisualInfo *vi; XtSetArg(args[0], (char *) GLwNvisualInfo, &vi); XtGetValues(w, args, 1); dpy = XtDisplay(w); if (!dpy) { fprintf(stderr, "could not open display\n"); } else { if (AW_alpha_Size_Supported) { vi = glXChooseVisual(dpy, DefaultScreen( dpy ), DoubleBufferWithAlpha); printf("RNA3D: Double Buffered Visual With Alpha Size Supported !\n"); } else { vi = glXChooseVisual(dpy, DefaultScreen( dpy ), DoubleBuffer); printf("RNA3D: Double Buffered Visual Supported !\n"); } if (!vi) { fprintf(stderr, "try to get a single buffered visual\n"); vi = glXChooseVisual(dpy, DefaultScreen(dpy), SingleBuffer); if (!vi) fprintf(stderr, "could not get visual\n"); } else { glx_context = glXCreateContext(dpy, vi, NULL, GL_TRUE); if (!glXIsDirect(dpy, glx_context)) fprintf(stderr, "direct rendering not supported\n"); else printf("RNA3D: Direct rendering supported\n"); GLwDrawingAreaMakeCurrent(w, glx_context); RNA3D->glw = w; RNA3D->OpenGLEngineState = CREATED; // Initializing fonts char fontName[] = "fixed"; RNA3D->cGraphics->InitMainFont(fontName); } } } ./arbsrc_9167/RNA3D/RNA3D_OpenGLEngine.hxx0000644012664100000130000000241311440743000017631 0ustar arb_buildcoders#include #define CREATED 1 #define NOT_CREATED 0 // enum { // HELIX_1,HELIX_2,HELIX_3,HELIX_4,HELIX_5,HELIX_6,HELIX_7,HELIX_8,HELIX_9,HELIX_10, // HELIX_11,HELIX_12,HELIX_13,HELIX_14,HELIX_15,HELIX_16,HELIX_17,HELIX_18,HELIX_19,HELIX_20, // HELIX_21,HELIX_22,HELIX_23,HELIX_24,HELIX_25,HELIX_26,HELIX_27,HELIX_28,HELIX_29,HELIX_30, // HELIX_31,HELIX_32,HELIX_33,HELIX_34,HELIX_35,HELIX_36,HELIX_37,HELIX_38,HELIX_39,HELIX_40, // HELIX_41,HELIX_42,HELIX_43,HELIX_44,HELIX_45,HELIX_46,HELIX_47,HELIX_48,HELIX_49,HELIX_50 // }; void ShowVendorInformation(); void ReshapeOpenGLWindow( GLint width, GLint height ); void InitializeOpenGLEngine(GLint width, GLint height ); void DrawStructure(); void RenderOpenGLScene(Widget w); void InitializeOpenGLWindow( Widget w ); void ComputeRotationXY(int x, int y); void CalculateRotationMatrix(); void MapDisplayParameters(AW_root *aw_root); void DisplayPostionsIntervalChanged_CB(AW_root *awr); void MapSelectedSpeciesChanged_CB(AW_root *awr); void CursorPositionChanged_CB(AW_root *awr); void DisplayHelixNrsChanged_CB(AW_root *awr); void MapSaiToEcoliTemplateChanged_CB(AW_root *awr); void MapSearchStringsToEcoliTemplateChanged_CB(AW_root *awr); void WinToScreenCoordinates(int x, int y, GLdouble *screenPos) ; ./arbsrc_9167/RNA3D/RNA3D_OpenGLGraphics.cxx0000644012664100000130000001344111440743000020162 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include "RNA3D_Global.hxx" #include "RNA3D_OpenGLGraphics.hxx" #include "RNA3D_Renderer.hxx" #include "RNA3D_Textures.hxx" #include "RNA3D_StructureData.hxx" #include #include #include #include using namespace std; OpenGLGraphics::OpenGLGraphics(void) : displayGrid(false) , ApplicationBGColor(0, 0, 0) { } OpenGLGraphics::~OpenGLGraphics(void){ } // Sets the Background Color for the OpenGL Window void OpenGLGraphics::SetOpenGLBackGroundColor() { unsigned long bgColor; XtVaGetValues( RNA3D->glw, XmNbackground, &bgColor, NULL ); Widget w = AW_get_AreaWidget(RNA3D->gl_Canvas->aww, AW_MIDDLE_AREA); XColor xcolor; xcolor.pixel = bgColor; Colormap colormap = DefaultColormapOfScreen( XtScreen( w ) ); XQueryColor( XtDisplay( w ), colormap, &xcolor ); float r, g, b; r = g = b = 0.0; r = (float) xcolor.red / 65535.0; g = (float) xcolor.green / 65535.0; b = (float) xcolor.blue / 65535.0; // set OpenGL Backgroud Color to the widget's backgroud glClearColor(r, g, b, 1); // extern ColorRGBf ApplicationBGColor; ApplicationBGColor = ColorRGBf(r, g, b); } // Converts the GC into RGB values ColorRGBf OpenGLGraphics::ConvertGCtoRGB(int gc) { ColorRGBf clr = ColorRGBf(0,0,0); float r, g, b; r = g = b = 0.0; Widget w = AW_get_AreaWidget(RNA3D->gl_Canvas->aww, AW_MIDDLE_AREA); GC xgc = AW_map_AreaGC(RNA3D->gl_Canvas->aww, AW_MIDDLE_AREA, gc); XGCValues xGCValues; XGetGCValues( XtDisplay( w ), xgc, GCForeground, &xGCValues ); unsigned long color = xGCValues.foreground; XColor xcolor; xcolor.pixel = color; Colormap colormap = DefaultColormapOfScreen( XtScreen( w ) ); XQueryColor( XtDisplay( w ), colormap, &xcolor ); r = (float) xcolor.red / 65535.0; g = (float) xcolor.green / 65535.0; b = (float) xcolor.blue / 65535.0; clr = ColorRGBf(r,g,b); return clr; } // Converts the GC into RGB values and sets the glColor void OpenGLGraphics::SetColor(int gc) { ColorRGBf color = ConvertGCtoRGB(gc); glColor4f(color.red, color.green, color.blue, 1); } // Converts the GC into RGB values and returns them ColorRGBf OpenGLGraphics::GetColor(int gc) { ColorRGBf color = ConvertGCtoRGB(gc); return color; } void OpenGLGraphics::WinToScreenCoordinates(int x, int y, GLdouble *screenPos) { //project window coords to gl coord glLoadIdentity(); GLdouble modelMatrix[16]; glGetDoublev(GL_MODELVIEW_MATRIX,modelMatrix); GLdouble projMatrix[16]; glGetDoublev(GL_PROJECTION_MATRIX,projMatrix); GLint viewport[4]; glGetIntegerv(GL_VIEWPORT,viewport); gluUnProject(x, y, 0, modelMatrix, projMatrix, viewport, //the next 3 parameters are the pointers to the final object coordinates.(double) &screenPos[0], &screenPos[1], &screenPos[2] ); } //=========== Functions related to rendering FONTS ========================// static GLuint font_base; void OpenGLGraphics::init_font(GLuint base, char* f) { Display* display; XFontStruct* font_info; int first; int last; /* Need an X Display before calling any Xlib routines. */ // display = XOpenDisplay(0); // glxFont problem : changed XOpenDisplay(0) to glXGetCurrentDisplay() display = glXGetCurrentDisplay(); if (display == 0) { fprintf(stderr, "XOpenDisplay() failed. Exiting.\n"); exit(-1); } else { /* Load the font. */ font_info = XLoadQueryFont(display, f); if (!font_info) { fprintf(stderr, "XLoadQueryFont() failed - Exiting.\n"); exit(-1); } else { /* Tell GLX which font & glyphs to use. */ first = font_info->min_char_or_byte2; last = font_info->max_char_or_byte2; glXUseXFont(font_info->fid, first, last-first+1, base+first); } //XCloseDisplay(display); // glxFont problem display = 0; } } void OpenGLGraphics::print_string(GLuint base, char* s) { if (!glIsList(font_base)) { fprintf(stderr, "print_string(): Bad display list. - Exiting.\n"); exit (-1); } else if (s && strlen(s)) { glPushAttrib(GL_LIST_BIT); glListBase(base); glCallLists(strlen(s), GL_UNSIGNED_BYTE, (GLubyte *)s); glPopAttrib(); } } void OpenGLGraphics::InitMainFont(char* f) { font_base = glGenLists(256); if (!glIsList(font_base)) { fprintf(stderr, "InitMainFont(): Out of display lists. - Exiting.\n"); exit (-1); } else { init_font(font_base, f); } } void OpenGLGraphics::PrintString(float x, float y, float z, char *s, void * /*font */) { glRasterPos3f(x, y, z); print_string(font_base, s); // for (unsigned int i = 0; i < strlen(s); i++) { // glutBitmapCharacter(font, s[i]); // } } void OpenGLGraphics::PrintComment(float /* x */, float /* y */, float /* z */, char */*s */){ // if comments are longer break them and display in next line // int col = 35; // glRasterPos3f(x, y, z); // for (unsigned int i = 0; i < strlen(s); i++) { // if(i%col==0) { // y -= 10; // glRasterPos3f(x, y, z); // } // glutBitmapCharacter(GLUT_BITMAP_8_BY_13, s[i]); // } } //=============================================================================== void OpenGLGraphics::DrawBox(float x, float y, float w, float h) { glBegin(GL_QUADS); glVertex2f(x-w/2, y-h/2); glVertex2f(x+w/2, y-h/2); glVertex2f(x+w/2, y+h/2); glVertex2f(x-w/2, y+h/2); glEnd(); } ./arbsrc_9167/RNA3D/RNA3D_OpenGLGraphics.hxx0000644012664100000130000000354411440743000020172 0ustar arb_buildcoders// ============================================================ // // // // File : RNA3D_OpenGLGraphics.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================ // #ifndef RNA3D_OPENGLGRAPHICS_HXX #define RNA3D_OPENGLGRAPHICS_HXX struct ColorRGBf { float red, green, blue; ColorRGBf() {} ColorRGBf(float r, float g, float b) { red = r; green = g; blue = b; } bool operator==(ColorRGBf c) { if((red == c.red) && (green == c.green) && (blue == c.blue)) { return true; } else { return false; } } }; struct OpenGLGraphics { int screenXmax,screenYmax, mouseX, mouseY; bool displayGrid; ColorRGBf ApplicationBGColor; OpenGLGraphics(void); virtual ~OpenGLGraphics(void); void WinToScreenCoordinates(int x, int y, GLdouble *screenPos); void ScreenToWinCoordinates(int x, int y, GLdouble *winPos); void PrintString(float x, float y, float z, char *s, void *font); void PrintComment(float x, float y, float z, char *s); void init_font(GLuint base, char* f); void print_string(GLuint base, char* s); void InitMainFont(char* f); void SetOpenGLBackGroundColor(); ColorRGBf ConvertGCtoRGB(int gc); void SetColor(int gc); ColorRGBf GetColor(int gc); void DrawBox(float x, float y, float width, float height); }; #else #error RNA3D_OpenGLGraphics.hxx included twice #endif // RNA3D_OPENGLGRAPHICS_HXX ./arbsrc_9167/RNA3D/RNA3D_Renderer.cxx0000644012664100000130000004177511440743000017136 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include "RNA3D_Global.hxx" #include "RNA3D_Textures.hxx" #include "RNA3D_Renderer.hxx" #include "RNA3D_StructureData.hxx" #include "RNA3D_OpenGLGraphics.hxx" #include "RNA3D_Graphics.hxx" using namespace std; // OpenGLGraphics *G = new OpenGLGraphics(); // ColorRGBf ApplicationBGColor = ColorRGBf(0,0,0); GLRenderer::GLRenderer(void){ fSkeletonSize = 0.5; iBackBone = iColorise = 0; ObjectSize = 8.0; iDisplayBases = iBaseMode = 0; iBaseHelix = iBaseUnpairHelix = iBaseNonHelix = 0; iShapeHelix = iShapeUnpairHelix = iShapeNonHelix = 0; iDisplayHelix = iHelixMidPoint = iHelixBackBone = iHelixNrs = 0; iDispTerInt = 0; iStartHelix = 1; iEndHelix = 101; fHelixSize = 1.0; iDispPos = 0; iDispCursorPos = 0; iMapSpecies = iMapSpeciesBase = iMapSpeciesPos = 0; iMapSpeciesDels = iMapSpeciesMiss = 0; iMapSpeciesIns = iMapSpeciesInsInfo = 0; G = new OpenGLGraphics(); } GLRenderer::~GLRenderer(void){ } void GLRenderer::DisplayHelices(void){ G->SetColor(RNA3D_GC_HELIX); glLineWidth(fHelixSize); for(int i = iStartHelix; i <= iEndHelix; i++) { glBegin(GL_LINES); glListBase(RNA3D->cStructure->HelixBase); glCallList(RNA3D->cStructure->HelixBase+i); glEnd(); } } void GLRenderer::DisplayHelixBackBone(void){ G->SetColor(RNA3D_GC_HELIX_SKELETON); glLineWidth(0.5); glPushAttrib(GL_LIST_BIT); glListBase(RNA3D->cStructure->HelixBase); int rnaType = RNA3D->cStructure->FindTypeOfRNA(); switch (rnaType) { case LSU_23S: for(int i = 1; i <= 101; i++) { glBegin(GL_LINES); glCallList(RNA3D->cStructure->HelixBase+i); glEnd(); } break; case LSU_5S: for(int i = 1; i <= 5; i++) { glBegin(GL_LINES); glCallList(RNA3D->cStructure->HelixBase+i); glEnd(); } break; case SSU_16S: for(int i = 1; i <= 50; i++) { glBegin(GL_LINES); glCallList(RNA3D->cStructure->HelixBase+i); glEnd(); } break; } glPopAttrib(); } void GLRenderer::DisplayBasePositions(void){ G->SetColor(RNA3D_GC_MOL_BACKBONE); glCallList(STRUCTURE_POS_ANCHOR); G->SetColor(RNA3D_GC_MOL_POS); glCallList(STRUCTURE_POS); } void GLRenderer::DisplayMappedSpInsertions(void){ G->SetColor(RNA3D_GC_INSERTION); glCallList(MAP_SPECIES_INSERTION_BASES_ANCHOR); G->SetColor(RNA3D_GC_INSERTION); glCallList(MAP_SPECIES_INSERTION_BASES); } void GLRenderer::DisplayMappedSpBasePositions(void){ G->SetColor(RNA3D_GC_MOL_BACKBONE); glCallList(MAP_SPECIES_BASE_DIFFERENCE_POS_ANCHOR); G->SetColor(RNA3D_GC_MAPPED_SPECIES); glCallList(MAP_SPECIES_BASE_DIFFERENCE_POS); } void GLRenderer::DisplayHelixMidPoints(Texture2D *cImages){ glPointSize(fHelixSize + 5); // size will be propotional to the Helix Thickness specified !! glBindTexture(GL_TEXTURE_2D, cImages->texture[CIRCLE]); G->SetColor(RNA3D_GC_HELIX_MIDPOINT); glCallList(HELIX_NUMBERS_POINTS); } void GLRenderer::DisplayHelixNumbers(void){ G->SetColor(RNA3D_GC_FOREGROUND); glCallList(HELIX_NUMBERS); } void GLRenderer::DoHelixMapping(void) { if (iDisplayHelix) { if (iHelixNrs) { DisplayHelixNumbers(); } if (iHelixBackBone) { DisplayHelixBackBone(); } DisplayHelices(); } // Displaying Tertiary Interactions of E.coli 16S ribosomal RNA if(iDispTerInt) { glLineWidth(fHelixSize + 1); // Thicker than the normal Helix Strands G->SetColor(RNA3D_GC_PSEUDOKNOT); glCallList(ECOLI_TERTIARY_INTRACTION_PSEUDOKNOTS); G->SetColor(RNA3D_GC_TRIPLE_BASE); glCallList(ECOLI_TERTIARY_INTRACTION_TRIPLE_BASES); } } void GLRenderer::DisplayMoleculeName(int /*w*/, int /*h*/, Structure3D *cStr){ char *pSpeciesName; if(cStr->iMapEnable && iMapSpecies) { pSpeciesName = RNA3D->root->awar(AWAR_3D_SELECTED_SPECIES)->read_string(); } else { pSpeciesName = (char *) "Eschericia Coli : Master Template"; } float x, y,z; x=1.1; y=z=1.0; float line = 0.05; glPushMatrix(); G->SetColor(RNA3D_GC_FOREGROUND); G->PrintString(x, y, z, pSpeciesName, GLUT_BITMAP_8_BY_13); char buf[25]; if (cStr->iMapEnable && iMapSpecies){ G->SetColor(RNA3D_GC_MAPPED_SPECIES); sprintf(buf, "Mutations = %d", cStr->iTotalSubs); G->PrintString(x, (y-(1*line)), z, buf, GLUT_BITMAP_8_BY_13); sprintf(buf, "Deletions = %d", cStr->iTotalDels); G->PrintString(x, (y-(2*line)), z, buf, GLUT_BITMAP_8_BY_13); sprintf(buf, "Insertions = %d", cStr->iTotalIns); G->PrintString(x, (y-(3*line)), z, buf, GLUT_BITMAP_8_BY_13); } // { // if (RNA3D->bDisplayComments) { // G->SetColor(RNA3D_GC_COMMENTS); // G->PrintString(x-w/2.5, y, 0, "[Escape switches off the comments]", GLUT_BITMAP_8_BY_13); // G->PrintString(x-w/2.5, y-10, 0, "||||||||||||||||||||||||||||||||||", GLUT_BITMAP_8_BY_13); // G->PrintComment(x-w/2.5, y-10, 0, globalComment); // } // } glPopMatrix(); } void GLRenderer::DisplayMoleculeMask(int w, int h){ // displays a rectangular mask cutting thru the centre of the molecule glPushMatrix(); glScalef(0.5, 0.5, 0.5); if (RNA3D->bDisplayMask) { G->SetColor(RNA3D_GC_MASK); G->DrawBox(0,0,w,h); } glPopMatrix(); } void GLRenderer::DisplayMolecule(Structure3D *cStr) { glLineWidth(fSkeletonSize); static ColorRGBf HelixOldColor = G->GetColor(RNA3D_GC_BASES_HELIX); static ColorRGBf UnpairedHelixOldColor = G->GetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); static ColorRGBf NonHelixOldColor = G->GetColor(RNA3D_GC_BASES_NON_HELIX); if(iColorise){ ColorRGBf HelixNewColor = G->GetColor(RNA3D_GC_BASES_HELIX); ColorRGBf UnpairedHelixNewColor = G->GetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); ColorRGBf NonHelixNewColor = G->GetColor(RNA3D_GC_BASES_NON_HELIX); if ((HelixOldColor == HelixNewColor) && (UnpairedHelixOldColor == UnpairedHelixNewColor) && (NonHelixOldColor == NonHelixNewColor)) { glCallList(STRUCTURE_BACKBONE_CLR); } else { HelixOldColor = HelixNewColor; UnpairedHelixOldColor = UnpairedHelixNewColor; NonHelixOldColor = NonHelixNewColor; glDeleteLists(STRUCTURE_BACKBONE_CLR,1); cStr->GenerateMoleculeSkeleton(); glCallList(STRUCTURE_BACKBONE_CLR); } } else if (iBackBone) { G->SetColor(RNA3D_GC_MOL_BACKBONE); glCallList(STRUCTURE_BACKBONE); } if(iDispPos) { DisplayBasePositions(); } if(cStr->iMapEnable) { if (cStr->iMapSearch) { glLineWidth(ObjectSize/3); glCallList(MAP_SEARCH_STRINGS_BACKBONE); } if(iMapSpecies) { if (iMapSpeciesIns && iMapSpeciesInsInfo) { DisplayMappedSpInsertions(); } if(iMapSpeciesPos) { DisplayMappedSpBasePositions(); } } } } void GLRenderer::BeginTexturizer(){ glDisable(GL_CULL_FACE); glDisable(GL_LIGHTING); glDisable(GL_POINT_SMOOTH); glDepthMask(GL_TRUE); glEnable(GL_TEXTURE_2D); if (RNA3D->bPointSpritesSupported) { glEnable(GL_ALPHA_TEST); glAlphaFunc(GL_GREATER, 0.1); glEnable(GL_BLEND); glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA); float quadratic[] = { 0.0f, 0.0f, 1.0f }; glPointParameterfvEXT( GL_DISTANCE_ATTENUATION_EXT, quadratic ); // Query for the max point size supported by the hardware float maxSize = 0.0f; glGetFloatv( GL_POINT_SIZE_MAX_EXT, &maxSize ); glPointSize(MIN(ObjectSize,maxSize) ); glPointParameterfEXT( GL_POINT_SIZE_MIN_EXT, 1.0f ); glPointParameterfEXT( GL_POINT_SIZE_MAX_EXT, MIN(65,maxSize)); glTexEnvf(GL_POINT_SPRITE_ARB, GL_COORD_REPLACE_ARB, GL_TRUE); glEnable(GL_POINT_SPRITE_ARB); } } void GLRenderer::EndTexturizer(){ // glDisable(GL_TEXTURE_2D); if (RNA3D->bPointSpritesSupported) { float defaultAttenuation[3] = { 1.0f, 0.0f, 0.0f }; glPointParameterfvEXT( GL_DISTANCE_ATTENUATION_EXT, defaultAttenuation ); glDisable(GL_POINT_SPRITE_ARB); glDisable(GL_BLEND); glDisable(GL_ALPHA_TEST); } } #define POLOFFON glEnable(GL_POLYGON_OFFSET_FILL); glPolygonOffset(1,1); glDepthFunc(GL_LESS); #define POLOFFOFF glDepthFunc(GL_LEQUAL); glPolygonOffset(0,0); glDisable(GL_POLYGON_OFFSET_FILL); void GLRenderer::TexturizeStructure(Texture2D *cImages, Structure3D *cStructure) { if (cStructure->iMapEnable ) { glPointSize(ObjectSize*2); if (cStructure->iMapSAI) { glBindTexture(GL_TEXTURE_2D, cImages->texture[HEXAGON]); glCallList(MAP_SAI_TO_STRUCTURE); } if (cStructure->iMapSearch) { glPointSize(ObjectSize*1.5); glBindTexture(GL_TEXTURE_2D, cImages->texture[CIRCLE]); glCallList(MAP_SEARCH_STRINGS_TO_STRUCTURE); } } if(iDispCursorPos) { glPointSize(ObjectSize+8); G->SetColor(RNA3D_GC_CURSOR_POSITION); glBindTexture(GL_TEXTURE_2D, cImages->texture[DIAMOND]); glCallList(ECOLI_CURSOR_POSITION); } glPointSize(ObjectSize); if (iDisplayBases) { switch(iBaseMode) { case CHARACTERS: { POLOFFON { // Print Background textures ColorRGBf& ApplicationBGColor = G->ApplicationBGColor; glColor4f(ApplicationBGColor.red, ApplicationBGColor.green, ApplicationBGColor.blue, 1); glBindTexture(GL_TEXTURE_2D, cImages->texture[CIRCLE]); if(iBaseHelix) { glCallList(HELIX_A); glCallList(HELIX_G); glCallList(HELIX_C); glCallList(HELIX_U); } if(iBaseUnpairHelix) { glCallList(UNPAIRED_HELIX_A); glCallList(UNPAIRED_HELIX_G); glCallList(UNPAIRED_HELIX_C); glCallList(UNPAIRED_HELIX_U); } if(iBaseNonHelix) { glCallList(NON_HELIX_A); glCallList(NON_HELIX_G); glCallList(NON_HELIX_C); glCallList(NON_HELIX_U); } } POLOFFOFF { // Print textures representing the actual bases glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_A]); { if(iBaseHelix) { G->SetColor(RNA3D_GC_BASES_HELIX); glCallList(HELIX_A); } if(iBaseUnpairHelix) { G->SetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); glCallList(UNPAIRED_HELIX_A); } if(iBaseNonHelix) { G->SetColor(RNA3D_GC_BASES_NON_HELIX); glCallList(NON_HELIX_A); } } glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_G]); { if(iBaseHelix) { G->SetColor(RNA3D_GC_BASES_HELIX); glCallList(HELIX_G); } if(iBaseUnpairHelix) { G->SetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); glCallList(UNPAIRED_HELIX_G); } if(iBaseNonHelix) { G->SetColor(RNA3D_GC_BASES_NON_HELIX); glCallList(NON_HELIX_G); } } glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_C]); { if(iBaseHelix) { G->SetColor(RNA3D_GC_BASES_HELIX); glCallList(HELIX_C); } if(iBaseUnpairHelix) { G->SetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); glCallList(UNPAIRED_HELIX_C); } if(iBaseNonHelix) { G->SetColor(RNA3D_GC_BASES_NON_HELIX); glCallList(NON_HELIX_C); } } glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_U]); { if(iBaseHelix) { G->SetColor(RNA3D_GC_BASES_HELIX); glCallList(HELIX_U); } if(iBaseUnpairHelix) { G->SetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); glCallList(UNPAIRED_HELIX_U); } if(iBaseNonHelix) { G->SetColor(RNA3D_GC_BASES_NON_HELIX); glCallList(NON_HELIX_U); } } } break; } case SHAPES: if(iBaseHelix) { glBindTexture(GL_TEXTURE_2D, cImages->texture[iShapeHelix]); G->SetColor(RNA3D_GC_BASES_HELIX); glCallList(HELIX_A); glCallList(HELIX_G); glCallList(HELIX_C); glCallList(HELIX_U); } if(iBaseUnpairHelix) { glBindTexture(GL_TEXTURE_2D, cImages->texture[iShapeUnpairHelix]); G->SetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); glCallList(UNPAIRED_HELIX_A); glCallList(UNPAIRED_HELIX_G); glCallList(UNPAIRED_HELIX_C); glCallList(UNPAIRED_HELIX_U); } if(iBaseNonHelix) { glBindTexture(GL_TEXTURE_2D, cImages->texture[iShapeNonHelix]); G->SetColor(RNA3D_GC_BASES_NON_HELIX); glCallList(NON_HELIX_A); glCallList(NON_HELIX_G); glCallList(NON_HELIX_C); glCallList(NON_HELIX_U); } break; } } if (iDisplayHelix && iHelixMidPoint) { DisplayHelixMidPoints(cImages); // Draw circles at the midpoint of each Helix } if (cStructure->iMapEnable && iMapSpecies) { if(iMapSpeciesBase) { glBindTexture(GL_TEXTURE_2D, cImages->texture[CIRCLE]); glPointSize(ObjectSize+4); G->SetColor(RNA3D_GC_MAPPED_SPECIES); glCallList(MAP_SPECIES_BASE_A); glCallList(MAP_SPECIES_BASE_U); glCallList(MAP_SPECIES_BASE_G); glCallList(MAP_SPECIES_BASE_C); glPointSize(ObjectSize); G->SetColor(RNA3D_GC_FOREGROUND); glCallList(MAP_SPECIES_BASE_A); glCallList(MAP_SPECIES_BASE_U); glCallList(MAP_SPECIES_BASE_G); glCallList(MAP_SPECIES_BASE_C); glPointSize(ObjectSize); G->SetColor(RNA3D_GC_MAPPED_SPECIES); glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_A]); glCallList(MAP_SPECIES_BASE_A); glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_G]); glCallList(MAP_SPECIES_BASE_G); glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_C]); glCallList(MAP_SPECIES_BASE_C); glBindTexture(GL_TEXTURE_2D, cImages->texture[LETTER_U]); glCallList(MAP_SPECIES_BASE_U); } if(iMapSpeciesMiss) { glPointSize(ObjectSize); G->SetColor(RNA3D_GC_MAPPED_SPECIES); glBindTexture(GL_TEXTURE_2D, cImages->texture[CIRCLE]); glCallList(MAP_SPECIES_MISSING); glPointSize(ObjectSize-2); G->SetColor(RNA3D_GC_FOREGROUND); glBindTexture(GL_TEXTURE_2D, cImages->texture[QUESTION]); glCallList(MAP_SPECIES_MISSING); } if(iMapSpeciesDels) { glPointSize(ObjectSize); G->SetColor(RNA3D_GC_DELETION); glBindTexture(GL_TEXTURE_2D, cImages->texture[CIRCLE]); glCallList(MAP_SPECIES_DELETION); glPointSize(ObjectSize-2); G->SetColor(RNA3D_GC_FOREGROUND); glBindTexture(GL_TEXTURE_2D, cImages->texture[DANGER]); glCallList(MAP_SPECIES_DELETION); } if(iMapSpeciesIns) { glPointSize(ObjectSize*3); G->SetColor(RNA3D_GC_INSERTION); glBindTexture(GL_TEXTURE_2D, cImages->texture[CONE_DOWN]); glCallList(MAP_SPECIES_INSERTION_POINTS); } } } ./arbsrc_9167/RNA3D/RNA3D_Renderer.hxx0000644012664100000130000000253511440743000017132 0ustar arb_buildcoders#define CHARACTERS 0 #define SHAPES 1 #define MIN(a,b) ((a)<(b)?(a):(b)) class Texture2D; class Structure3D; class OpenGLGraphics; class GLRenderer { public: float ObjectSize; int iDisplayBases, iBaseMode; int iBaseHelix, iBaseUnpairHelix, iBaseNonHelix; int iShapeHelix, iShapeUnpairHelix, iShapeNonHelix; int iDisplayHelix, iHelixMidPoint, iHelixBackBone, iHelixNrs; int iDispTerInt; int iStartHelix, iEndHelix; float fHelixSize; float fSkeletonSize; int iColorise, iBackBone; int iDispPos; int iMapSpecies, iMapSpeciesBase, iMapSpeciesPos; int iMapSpeciesDels, iMapSpeciesMiss, iMapSpeciesIns, iMapSpeciesInsInfo; int iDispCursorPos; OpenGLGraphics *G; GLRenderer(void); virtual ~GLRenderer(void); void DisplayMolecule(Structure3D *cStr); void DisplayMoleculeName(int w, int h, Structure3D *cStr); void DisplayMoleculeMask(int w, int h); void DoHelixMapping(void); void DisplayHelices(); void DisplayHelixBackBone(void); void DisplayHelixNumbers(void); void DisplayBasePositions(void); void DisplayMappedSpBasePositions(void); void DisplayMappedSpInsertions(void); void DisplayHelixMidPoints(Texture2D *cImages); void BeginTexturizer(); void EndTexturizer(); void TexturizeStructure(Texture2D *cImages, Structure3D *cStructure); }; ./arbsrc_9167/RNA3D/RNA3D_StructureData.cxx0000644012664100000130000015003211440743000020145 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include "RNA3D_Global.hxx" #include "RNA3D_OpenGLGraphics.hxx" #include "RNA3D_Graphics.hxx" #include "RNA3D_StructureData.hxx" #include #include #include #include #include #include #include #include #define COLORLINK (ED4_G_SBACK_0 - RNA3D_GC_SBACK_0) // to link to the colors defined in primary editor ed4_defs.hxx #define SAICOLORS (ED4_G_CBACK_0 - RNA3D_GC_CBACK_0) using namespace std; static Struct3Dinfo *start3D = NULL; static Struct2Dinfo *start2D = NULL; static Struct2Dplus3D *start2D3D = NULL; static HelixNrInfo *start = NULL; static CurrSpecies *startSp = NULL; static bool bOldSpecesDataExists = false; static Insertions *startIns = NULL; static bool bOldInsertionDataExists = false; static bool bStartPosStored = false; static bool bEndPosStored = false; static char *find_data_file(const char *name) { char *fname = GBS_find_lib_file(name, "rna3d/", 0); if (!fname) throw string("file not found: ")+name; return fname; } static void throw_IO_error(const char *filename) __ATTR__NORETURN; static void throw_IO_error(const char *filename) { string error = string("IO-Error: ")+strerror(errno)+" ('"+filename+"')"; throw error; } GBDATA *Structure3D::gb_main = 0; Structure3D::Structure3D(void) { strCen = new Vector3(0.0, 0.0, 0.0); GRAPHICS = new OpenGLGraphics(); ED4_SeqTerminal = 0; iInterval = 25; iMapSAI = 0; iMapSearch = 0; iMapEnable = 0; iEColiStartPos = 0; iEColiEndPos = 0; iStartPos = 0; iEndPos = 0; iTotalSubs = 0; iTotalDels = 0; iTotalIns = 0; LSU_molID = 3; // default molecule to load in case of 23S rRNA : 1C2W HelixBase = 500; } Structure3D::~Structure3D(void) { delete GRAPHICS; delete strCen; } void Structure3D::StoreCoordinates(float x, float y, float z, char base, unsigned int pos){ Struct3Dinfo *data, *temp; data = new Struct3Dinfo; data->x = x; data->y = y; data->z = z; data->base = base; data->pos = pos; data->next = NULL; if (start3D == NULL) start3D = data; else { temp = start3D; // We know this is not NULL - list not empty! while (temp->next != NULL) { temp = temp->next; // Move to next link in chain } temp->next = data; } } //------------------Selecting rRNA type--------------------------// int Structure3D::FindTypeOfRNA(){ int rnaType = 0; GB_push_transaction(gb_main); //opening a transaction GBDATA *gbTemplate = GBT_find_SAI(gb_main,"ECOLI"); if (!gbTemplate) { aw_message("SAI:ECOLI not found"); } else { char *ali_name = GBT_get_default_alignment(gb_main); GBDATA *gbAlignment = GB_entry(gbTemplate, ali_name); GBDATA *gbTemplateSeqData = gbAlignment ? GB_entry(gbAlignment, "data") : 0; if (!gbTemplateSeqData) { aw_message("Could not find species in the database!"); } else { const char *pTemplateSeqData = GB_read_char_pntr(gbTemplateSeqData); int iSeqLen = strlen(pTemplateSeqData); int iBaseCount = 0; for(int i = 0; i 2000) rnaType = LSU_23S; else if (iBaseCount > 300) rnaType = SSU_16S; else rnaType = LSU_5S; } } GB_pop_transaction(gb_main); return rnaType; } //----------Delete old molecule data-------------------------------// // Struct2Dinfo, Struct2Dplus3D, Struct3Dinfo, HelixNrInfo, Insertions void Structure3D::DeleteOldMoleculeData(){ // Struct2Dinfo -> start2D { Struct2Dinfo *tmp, *data; for(data = start2D; data != NULL; data = tmp) { tmp = data->next; delete data; } start2D = NULL; } // Struct2Dplus3D ->start2D3D { Struct2Dplus3D *tmp, *data; for(data = start2D3D; data != NULL; data = tmp) { tmp = data->next; delete data; } start2D3D = NULL; } // Struct3Dinfo ->start3D { Struct3Dinfo *tmp, *data; for(data = start3D; data != NULL; data = tmp) { tmp = data->next; delete data; } start3D = NULL; } // HelixNrInfo -> start { HelixNrInfo *tmp, *data; for(data = start; data != NULL; data = tmp) { tmp = data->next; delete data; } start = NULL; } // Delete insertions data DeleteOldInsertionData(); //Delelte mapped species data DeleteOldSpeciesData (); } //=========== Reading 3D Coordinates from PDB file ====================// void Structure3D::ReadCoOrdinateFile() { static char *DataFile = 0; int rnaType = FindTypeOfRNA(); RNA3D->bDisplayComments = true; // displaying comments in main window switch (rnaType) { case LSU_23S: switch(LSU_molID){ case _1PNU: DataFile = find_data_file("Ecoli_1PNU_23S_rRNA.pdb"); sprintf(globalComment, "The 3D molecule rendered from PDB entry : 1PNU at 8.7 Angstrom."); break; case _1VOR: DataFile = find_data_file("Ecoli_1VOR_23S_rRNA.pdb"); sprintf(globalComment,"The 3D molecule is rendered from PDB entry [1VOR] with 11.5 Angstrom resolution."); break; case _1C2W: DataFile = find_data_file("Ecoli_1C2W_23S_rRNA.pdb"); sprintf(globalComment,"The 3D molecule is rendered from PDB entry [1C2W] with 7.5 Angstrom resolution."); break; } break; case LSU_5S: DataFile = find_data_file("Ecoli_1C2X_5S_rRNA.pdb"); sprintf(globalComment,"The 3D molecule is rendered from PDB entry [1C2X] with 7.5 Angstrom resolution."); break; case SSU_16S: DataFile = find_data_file("Ecoli_1M5G_16S_rRNA.pdb"); sprintf(globalComment, "The 3D molecule is rendered from PDB entry [1M5G] with 11.5 Angstrom resolution."); break; } char buf[256]; float X, Y, Z; unsigned int pos; char Base; ifstream readData; readData.open(DataFile, ios::in); if (!readData.is_open()) { throw_IO_error(DataFile); } int cntr = 0; unsigned int last3Dpos = 0; static bool bEColiStartPosStored = false; while (!readData.eof()) { readData.getline(buf,100); string tmp, atom, line = string(buf); if ((line.find("ATOM") != string::npos ) || (line.find("HETATM") != string::npos )) { atom = (line.substr(77,2)).c_str(); if (atom.find("P") != string::npos) { tmp = (line.substr(18,3)).c_str(); Base = tmp[1]; pos = atoi((line.substr(22,4)).c_str()); X = atof((line.substr(31,8)).c_str()); Y = atof((line.substr(39,8)).c_str()); Z = atof((line.substr(47,8)).c_str()); // special filter for 23S rRNA structure (IVOR/IPNU) // IVOR/IPNU contains artifacts and are not mentioned in any of the // remarks of PDB file if (last3Dpos != pos && !(pos >= 3093)) { StoreCoordinates(X,Y,Z,Base,pos); last3Dpos = pos; strCen->x += X; strCen->y += Y; strCen->z += Z; cntr++; } if(!bEColiStartPosStored) { iEColiStartPos = pos; bEColiStartPosStored = true; } } } } iEColiEndPos = pos; cout<<"--------------------------------------------------"<x = strCen->x/cntr; strCen->y = strCen->y/cntr; strCen->z = strCen->z/cntr; readData.close(); free(DataFile); } void Structure3D::Store2Dinfo(char *info, int pos, int helixNr){ Struct2Dinfo *data, *temp; data = new Struct2Dinfo; data->base = info[0]; data->mask = info[1]; data->code = info[2]; data->pos = pos; data->helixNr = helixNr; data->next = NULL; if (start2D == NULL) start2D = data; else { temp = start2D; // We know this is not NULL - list not empty! while (temp->next != NULL) { temp = temp->next; // Move to next link in chain } temp->next = data; } } //=========== Reading Secondary Structure Data from Ecoli Secondary Structure Mask file ====================// void Structure3D::GetSecondaryStructureInfo(void) { static char *DataFile = 0; int rnaType = FindTypeOfRNA(); switch (rnaType) { case LSU_23S: DataFile = find_data_file("SecondaryStructureModel_23SrRNA.data"); break; case LSU_5S: DataFile = find_data_file("SecondaryStructureModel_5SrRNA.data"); break; case SSU_16S: DataFile = find_data_file("SecondaryStructureModel_16SrRNA.data"); break; } char buf[256]; int pos, helixNr, lastHelixNr; lastHelixNr = 0; char info[4]; info[4] = '\0'; bool insideHelix = false; bool skip = false; ifstream readData; readData.open(DataFile, ios::in); if (!readData.is_open()) { throw_IO_error(DataFile); } while (!readData.eof()) { readData.getline(buf,100); char *tmp; tmp = strtok(buf, " "); for (int i = 0; tmp != NULL; tmp = strtok(NULL, " "), i++) { switch (i) { case 0 : pos = atoi(tmp); break; case 1 : info[0] = tmp[0]; break; case 2 : info[1] = tmp[0]; break; case 3 : info[2] = tmp[0]; break; case 4 : helixNr = atoi(tmp); break; } } if (((info[2] == 'S') || (info[2] == 'E')) && (helixNr > 0)) lastHelixNr = helixNr; if ((info[2] == 'S') || (info[2] == 'E')) { if (!insideHelix) insideHelix = true; else { Store2Dinfo(info, pos, lastHelixNr); skip = true; insideHelix = false; } } if (insideHelix) Store2Dinfo(info, pos, lastHelixNr); else { if (skip) skip = false; else Store2Dinfo(info, pos, 0); } } readData.close(); free(DataFile); } void Structure3D::Store2D3Dinfo(Struct2Dinfo *s2D, Struct3Dinfo *s3D) { Struct2Dplus3D *data, *temp; data = new Struct2Dplus3D; data->base = s2D->base; data->mask = s2D->mask; data->code = s2D->code; data->pos = s2D->pos;; data->helixNr = s2D->helixNr;; data->x = s3D->x; data->y = s3D->y; data->z = s3D->z; data->next = NULL; if (start2D3D == NULL) start2D3D = data; else { temp = start2D3D; while (temp->next != NULL) { temp = temp->next; } temp->next = data; } } //=========== Combining Secondary Structrue Data with 3D Coordinates =======================// void Structure3D::Combine2Dand3DstructureInfo(void) { Struct3Dinfo *temp3D; Struct2Dinfo *temp2D; int cntr = 0; cout<<"Missing Base Positions : "<pos == temp3D->pos) { Store2D3Dinfo(temp2D, temp3D); } else { while (temp2D->pos != temp3D->pos) { cout<pos<<", "; // missing base positions cntr++; temp2D = temp2D->next; } Store2D3Dinfo(temp2D, temp3D); } temp3D = temp3D->next; temp2D = temp2D->next; } cout<bPointSpritesSupported) { glVertex3f(x, y, z); } else { glBegin(GL_QUADS); // Front Face glTexCoord2f(0,0); glVertex3f(x - 1, y + 1, z + 1); glTexCoord2f(1,0); glVertex3f(x + 1, y + 1, z + 1); glTexCoord2f(1,1); glVertex3f(x + 1, y - 1, z + 1); glTexCoord2f(0,1); glVertex3f(x - 1, y - 1, z + 1); // Back Face glTexCoord2f(0,0); glVertex3f(x + 1, y + 1, z - 1); glTexCoord2f(1,0); glVertex3f(x - 1, y + 1, z - 1); glTexCoord2f(1,1); glVertex3f(x - 1, y - 1, z - 1); glTexCoord2f(0,1); glVertex3f(x + 1, y - 1, z - 1); // Top Face glTexCoord2f(0,0); glVertex3f(x + 1, y + 1, z + 1); glTexCoord2f(1,0); glVertex3f(x - 1, y + 1, z + 1); glTexCoord2f(1,1); glVertex3f(x - 1, y + 1, z - 1); glTexCoord2f(0,1); glVertex3f(x + 1, y + 1, z - 1); // Bottom Face glTexCoord2f(0,0); glVertex3f(x + 1, y - 1, z - 1); glTexCoord2f(1,0); glVertex3f(x - 1, y - 1, z - 1); glTexCoord2f(1,1); glVertex3f(x - 1, y - 1, z + 1); glTexCoord2f(0,1); glVertex3f(x + 1, y - 1, z + 1); // Left Face glTexCoord2f(0,0); glVertex3f(x + 1, y + 1, z + 1); glTexCoord2f(1,0); glVertex3f(x + 1, y + 1, z - 1); glTexCoord2f(1,1); glVertex3f(x + 1, y - 1, z - 1); glTexCoord2f(0,1); glVertex3f(x + 1, y - 1, z + 1); // Right Face glTexCoord2f(0,0); glVertex3f(x - 1, y + 1, z - 1); glTexCoord2f(1,0); glVertex3f(x - 1, y + 1, z + 1); glTexCoord2f(1,1); glVertex3f(x - 1, y - 1, z + 1); glTexCoord2f(0,1); glVertex3f(x - 1, y - 1, z - 1); glEnd(); } } void Structure3D::PositionsToCoordinatesDispList(int listID, int *pos, int len){ Struct2Dplus3D *t; int tmpPos = 0; glNewList(listID, GL_COMPILE); { if (RNA3D->bPointSpritesSupported) { glBegin(GL_POINTS); } for(int i = 0; i < len; i++) { tmpPos = pos[i]; t = start2D3D; while (t != NULL) { if (t->pos == tmpPos) { PointsToQuads(t->x, t->y, t->z); break; } t = t->next; } } if (RNA3D->bPointSpritesSupported){ glEnd(); } } glEndList(); } void Structure3D::GenerateSecStructureNonHelixRegions(void) { Struct2Dplus3D *t; const int MAX_BASE = 1000; int baseA[MAX_BASE], baseG[MAX_BASE], baseC[MAX_BASE], baseU[MAX_BASE]; int a,g,c,u; a=g=c=u=0; { t = start2D3D; while (t != NULL) { if (t->helixNr == 0) { switch (t->base) { case 'A' : baseA[a++] = t->pos; break; case 'G' : baseG[g++] = t->pos; break; case 'C' : baseC[c++] = t->pos; break; case 'U' : baseU[u++] = t->pos; break; } } t = t->next; } } PositionsToCoordinatesDispList(NON_HELIX_A, baseA, a); PositionsToCoordinatesDispList(NON_HELIX_G, baseG, g); PositionsToCoordinatesDispList(NON_HELIX_C, baseC, c); PositionsToCoordinatesDispList(NON_HELIX_U, baseU, u); } void Structure3D::GenerateSecStructureHelixRegions(void) { Struct2Dplus3D *t; const int MAX_BASE = 1000; int baseA[MAX_BASE], baseG[MAX_BASE], baseC[MAX_BASE], baseU[MAX_BASE]; int a,g,c,u; a=g=c=u=0; { t = start2D3D; while (t != NULL) { if (t->helixNr > 0) { if ((t->mask == '[') || (t->mask == ']') || (t->mask == '<') || (t->mask == '>') ) { switch (t->base) { case 'A' : baseA[a++] = t->pos; break; case 'G' : baseG[g++] = t->pos; break; case 'C' : baseC[c++] = t->pos; break; case 'U' : baseU[u++] = t->pos; break; } } } t = t->next; } } PositionsToCoordinatesDispList(HELIX_A, baseA, a); PositionsToCoordinatesDispList(HELIX_G, baseG, g); PositionsToCoordinatesDispList(HELIX_C, baseC, c); PositionsToCoordinatesDispList(HELIX_U, baseU, u); } void Structure3D::GenerateSecStructureUnpairedHelixRegions(void) { Struct2Dplus3D *t; const int MAX_BASE = 500; int baseA[MAX_BASE], baseG[MAX_BASE], baseC[MAX_BASE], baseU[MAX_BASE]; int a,g,c,u; a=g=c=u=0; { t = start2D3D; while (t != NULL) { if (t->helixNr > 0) { if (t->mask == '.') { switch (t->base) { case 'A' : baseA[a++] = t->pos; break; case 'G' : baseG[g++] = t->pos; break; case 'C' : baseC[c++] = t->pos; break; case 'U' : baseU[u++] = t->pos; break; } } } t = t->next; } } PositionsToCoordinatesDispList(UNPAIRED_HELIX_A, baseA, a); PositionsToCoordinatesDispList(UNPAIRED_HELIX_G, baseG, g); PositionsToCoordinatesDispList(UNPAIRED_HELIX_C, baseC, c); PositionsToCoordinatesDispList(UNPAIRED_HELIX_U, baseU, u); } //============================================================================== // Tertiary Interactions of 16S ribosomal RNA model of E.coli. // Reference : http://www.rna.icmb.utexas.edu/ // Year of Last Update : 2001. // Pseudoknots and Triple Base pairs are extracted and displayed in // the 3D model. //============================================================================== void Structure3D::GenerateTertiaryInteractionsDispLists(){ Struct2Dplus3D *t; static char *DataFile = 0; int rnaType = FindTypeOfRNA(); switch (rnaType) { case LSU_23S: DataFile = find_data_file("TertiaryInteractions_23SrRNA.data"); break; case LSU_5S: cout<<"There are no tertiary interactions observed in 5S rRNA model!"<pos == K[i]) { glVertex3f(t->x, t->y, t->z); i++; break; } t = t->next; } } glEnd(); } } glEndList(); glNewList(ECOLI_TERTIARY_INTRACTION_TRIPLE_BASES, GL_COMPILE); { for(int i = 0; i < r; ) { glBegin(GL_LINE_STRIP); for(int j = 0; j < 3; j++) { t = start2D3D; while (t != NULL) { if (t->pos == R[i]) { glVertex3f(t->x, t->y, t->z); i++; break; } t = t->next; } } glEnd(); } } glEndList(); free(DataFile); } //============================================================================== void Structure3D::StoreHelixNrInfo(float x, float y, float z, int helixNr) { HelixNrInfo *data, *temp; data = new HelixNrInfo; data->helixNr = helixNr;; data->x = x; data->y = y; data->z = z; data->next = NULL; if (start == NULL) start = data; else { temp = start; while (temp->next != NULL) { temp = temp->next; } temp->next = data; } } void Structure3D::GenerateHelixDispLists(int HELIX_NR_ID, int HELIX_NR) { Struct2Dinfo *temp2D; Struct2Dplus3D *temp2D3D; const int MAX = 500; int thisStrandPos[MAX], otherStrandPos[MAX]; int i, j; i = j = 0; { temp2D = start2D; while (temp2D != NULL) { if (temp2D->helixNr == HELIX_NR) { if ((temp2D->mask == '[') || (temp2D->mask == '<')) thisStrandPos[i++] = temp2D->pos; if ((temp2D->mask == ']') || (temp2D->mask == '>')) otherStrandPos[j++] = temp2D->pos; } temp2D = temp2D->next; } } int tempPos = 0; float x1,x2,y1,y2,z1,z2; x1=x2=y1=y2=z1=z2=0.0; bool bThisStrand, bOtherStrand; bThisStrand = bOtherStrand = false; bool bMissingBasePair = false; glNewList(HELIX_NR_ID, GL_COMPILE); { for (int k = 0, l = j-1; k < i && l >= 0; k++, l--) { tempPos = thisStrandPos[k]; { temp2D3D = start2D3D; while (temp2D3D != NULL) { if (temp2D3D->pos == tempPos) { bThisStrand = true; x1=temp2D3D->x; y1=temp2D3D->y; z1=temp2D3D->z; break; } temp2D3D = temp2D3D->next; } } tempPos = otherStrandPos[l]; { temp2D3D = start2D3D; while (temp2D3D != NULL) { if (temp2D3D->pos == tempPos) { bOtherStrand = true; x2=temp2D3D->x; y2=temp2D3D->y; z2=temp2D3D->z; break; } temp2D3D = temp2D3D->next; } } //if bases present in both the strands then draw a bond //and store the helix number information if (bThisStrand && bOtherStrand){ glVertex3f(x1, y1, z1); glVertex3f(x2, y2, z2); x1 = (x1+x2)/2; y1 = (y1+y2)/2; z1 = (z1+z2)/2; StoreHelixNrInfo(x1,y1,z1,HELIX_NR); bThisStrand = bOtherStrand = false; } else { bMissingBasePair = true; cout<helixNr == i) { sprintf(POS, "%d", t->helixNr); GRAPHICS->PrintString(t->x, t->y, t->z, POS, GLUT_BITMAP_8_BY_13); } t = t->next; } } } glEndList(); glNewList(HELIX_NUMBERS_POINTS, GL_COMPILE); { if (RNA3D->bPointSpritesSupported) { glBegin(GL_POINTS); } for(int i = startHx; i <= endHx; i++) { t = start; while (t != NULL) { if (t->helixNr == i) { PointsToQuads(t->x, t->y, t->z); } t = t->next; } } if (RNA3D->bPointSpritesSupported) { glEnd(); } } glEndList(); } void Structure3D::GenerateDisplayLists(void){ GenerateMoleculeSkeleton(); ComputeBasePositions(); int rnaType = FindTypeOfRNA(); switch (rnaType) { case SSU_16S: if (glIsList(HelixBase) != GL_TRUE) { for (int i = 1; i <= 50;i++) { GenerateHelixDispLists(HelixBase+i, i); } } break; case LSU_23S: cout<<"=========================================================="<x, t->y, t->z); t = t->next; } glEnd(); } glEndList(); glNewList(STRUCTURE_BACKBONE_CLR, GL_COMPILE); { glBegin(GL_LINE_STRIP); t = start2D3D; while (t != NULL) { if (t->helixNr > 0) { if ((t->mask == '[') || (t->mask == ']') || (t->mask == '<') || (t->mask == '>') ) { GRAPHICS->SetColor(RNA3D_GC_BASES_HELIX); glVertex3f(t->x, t->y, t->z); } if (t->mask == '.') { GRAPHICS->SetColor(RNA3D_GC_BASES_UNPAIRED_HELIX); glVertex3f(t->x, t->y, t->z); } } if (t->helixNr == 0) { GRAPHICS->SetColor(RNA3D_GC_BASES_NON_HELIX); glVertex3f(t->x, t->y, t->z); } t = t->next; } glEnd(); } glEndList(); } void Structure3D::GenerateCursorPositionDispList(long pos){ Struct3Dinfo *temp; glNewList(ECOLI_CURSOR_POSITION, GL_COMPILE); { glBegin(GL_POINTS); temp = start3D; while (temp != NULL) { if(temp->pos == pos) { #ifdef DEBUG cout<<"Cursor Position : "<x, temp->y, temp->z); break; } temp = temp->next; } glEnd(); } glEndList(); } void Structure3D::ComputeBasePositions(){ Struct3Dinfo *temp; char POS[50]; float spacer = 1.5; int posSkip = iInterval; if (posSkip <= 0) posSkip = 25; // default interval value glNewList(STRUCTURE_POS, GL_COMPILE); { temp = start3D; while (temp != NULL) { if(temp->pos%posSkip == 0) { sprintf(POS, "%d", temp->pos); GRAPHICS->PrintString(temp->x-spacer, temp->y, temp->z-spacer, POS, GLUT_BITMAP_HELVETICA_10); } temp = temp->next; } } glEndList(); glNewList(STRUCTURE_POS_ANCHOR, GL_COMPILE); { glLineWidth(0.5); glBegin(GL_LINES); temp = start3D; while (temp != NULL) { if(temp->pos%posSkip == 0) { glVertex3f(temp->x, temp->y, temp->z); glVertex3f(temp->x-spacer, temp->y, temp->z-spacer); } temp = temp->next; } glEnd(); } glEndList(); } void Structure3D::PrepareSecondaryStructureData(void) { // const char // outFile[] = "/nfshome/yadhu/DataBase/Struct3D/model16SrRNA/test.data", // EcoliFile[] = "/nfshome/yadhu/DataBase/Struct3D/model16SrRNA/ECOLI_GAPS", // HelixNrFile[] = "/nfshome/yadhu/DataBase/Struct3D/model16SrRNA/HELIX_NR", // HelixGapFile[] = "/nfshome/yadhu/DataBase/Struct3D/model16SrRNA/HELIX_GAP", // ErrorMsg[] = "\n *** Error Opening File : "; const char outFile[] = "/home/Yadhu/DataBase/Struct3D/model23SrRNA/test.data", EcoliFile[] = "/home/Yadhu/DataBase/Struct3D/model23SrRNA/Ecoli_23SrRNA_with_gaps.seq", HelixNrFile[] = "/home/Yadhu/DataBase/Struct3D/model23SrRNA/HelixNumbers.msk", HelixGapFile[] = "/home/Yadhu/DataBase/Struct3D/model23SrRNA/SecStructureMask_with_gaps.msk", ErrorMsg[] = "\n *** Error Opening File : "; // const char // outFile[] = "/home/Yadhu/DataBase/Struct3D/model5SrRNA/test.data", // EcoliFile[] = "/home/Yadhu/DataBase/Struct3D/model5SrRNA/Ecoli_5SrRNA_with_gaps.seq", // HelixNrFile[] = "/home/Yadhu/DataBase/Struct3D/model5SrRNA/HelixNumbers.msk", // HelixGapFile[] = "/home/Yadhu/DataBase/Struct3D/model5SrRNA/SecStructureMask_with_gaps.msk", // ErrorMsg[] = "\n *** Error Opening File : "; int fileLen = 0; char *helixNrBuf, *helixGapBuf, *ecoliBuf; ofstream out; out.open(outFile, ios::out); if(!out.is_open()) cerr<' : out<<"H "; break; } for(unsigned int j = i; helixNrBuf[j] != '.'; j++) { helixNr[k++] = helixNrBuf[j]; // out<pos == pos) { CurrSpecies *data, *temp; data = new CurrSpecies; data->base = base; data->pos = pos; data->x = st->x; data->y = st->y; data->z = st->z; data->next = NULL; if (startSp == NULL){ startSp = data; bOldSpecesDataExists = true; } else { temp = startSp; while (temp->next != NULL) { temp = temp->next; } temp->next = data; } break; } st = st->next; } } void Structure3D::DeleteOldSpeciesData(){ CurrSpecies *tmp, *data; for(data = startSp; data != NULL; data = tmp) { tmp = data->next; delete data; } startSp = NULL; bOldSpecesDataExists = false; } void Structure3D::GenerateBaseDifferencePositionDisplayList(){ CurrSpecies *t; Struct3Dinfo *temp; char POS[50]; float spacer = 1.5; glNewList(MAP_SPECIES_BASE_DIFFERENCE_POS, GL_COMPILE); { for(t = startSp; t != NULL; t = t->next) { for(temp = start3D; temp != NULL; temp = temp->next) { if(temp->pos == t->pos) { sprintf(POS, "%d", temp->pos); GRAPHICS->PrintString(temp->x-spacer, temp->y, temp->z-spacer, POS, GLUT_BITMAP_8_BY_13); } } } } glEndList(); glNewList(MAP_SPECIES_BASE_DIFFERENCE_POS_ANCHOR, GL_COMPILE); { glLineWidth(1.0); glBegin(GL_LINES); for(t = startSp; t != NULL; t = t->next) { for(temp = start3D; temp != NULL; temp = temp->next) { if(temp->pos == t->pos) { glVertex3f(temp->x, temp->y, temp->z); glVertex3f(temp->x-spacer, temp->y, temp->z-spacer); } } } glEnd(); } glEndList(); } void Structure3D::BuildDisplayList(int listID, int *pos, int len){ CurrSpecies *t; int tmpPos = 0; glNewList(listID, GL_COMPILE); { if (RNA3D->bPointSpritesSupported) { glBegin(GL_POINTS); } for(int i = 0; i < len; i++) { tmpPos = pos[i]; t = startSp; while (t != NULL) { if (t->pos == tmpPos) { PointsToQuads(t->x, t->y, t->z); break; } t = t->next; } } if (RNA3D->bPointSpritesSupported){ glEnd(); } } glEndList(); } void Structure3D::GenerateBaseDifferenceDisplayList(){ CurrSpecies *t; glNewList(MAP_SPECIES_BASE_DIFFERENCE, GL_COMPILE); { if (RNA3D->bPointSpritesSupported) { glBegin(GL_POINTS); } t = startSp; while (t != NULL) { PointsToQuads(t->x, t->y, t->z); t = t->next; } if (RNA3D->bPointSpritesSupported){ glEnd(); } } glEndList(); const int MAX_BASE = 400; int baseA[MAX_BASE], baseG[MAX_BASE], baseC[MAX_BASE], baseU[MAX_BASE], deletion[MAX_BASE], miss[MAX_BASE]; int a,g,c,u,d,m; a=g=c=u=d=m=0; { t = startSp; while (t != NULL) { switch (t->base) { case 'A' : baseA[a++] = t->pos; break; case 'G' : baseG[g++] = t->pos; break; case 'C' : baseC[c++] = t->pos; break; case 'U' : baseU[u++] = t->pos; break; case '-' : deletion[d++] = t->pos; break; case '.' : miss[m++] = t->pos; break; } t = t->next; } BuildDisplayList(MAP_SPECIES_BASE_A, baseA, a); BuildDisplayList(MAP_SPECIES_BASE_U, baseU, u); BuildDisplayList(MAP_SPECIES_BASE_G, baseG, g); BuildDisplayList(MAP_SPECIES_BASE_C, baseC, c); BuildDisplayList(MAP_SPECIES_DELETION, deletion, d); BuildDisplayList(MAP_SPECIES_MISSING, miss, m); GenerateBaseDifferencePositionDisplayList(); iTotalSubs = a+g+c+u; // Summing up the substitutions/mutations iTotalDels = d; // Storing total number of deletions #ifdef DEBUG cout<<"Substitutions = "<PrintString(str->x, str->y+spacer, str->z, buffer, GLUT_BITMAP_8_BY_13); iTotalIns += cntr; // Summing up the insertions } } } glEndList(); #ifdef DEBUG cout<<"Insertions = "<next) { for(ins = startIns; ins != NULL; ins = ins->next) { if(str->pos == ins->pos) { glVertex3f(str->x, str->y, str->z); glVertex3f(str->x, str->y+spacer, str->z); } } } glEnd(); } glEndList(); glNewList(MAP_SPECIES_INSERTION_POINTS, GL_COMPILE); { if (RNA3D->bPointSpritesSupported) { glBegin(GL_POINTS); } for(str = start3D; str != NULL; str = str->next) { for(ins = startIns; ins != NULL; ins = ins->next) { if(str->pos == ins->pos) { PointsToQuads(str->x, str->y, str->z); break; } } } if (RNA3D->bPointSpritesSupported){ glEnd(); } } glEndList(); } void Structure3D::MapCurrentSpeciesToEcoliTemplate(AW_root *awr){ GB_push_transaction(gb_main); GBDATA *gbTemplate = GBT_find_SAI(gb_main,"ECOLI"); if (!gbTemplate) { aw_message("SAI:ECOLI not found"); } else { char *pSpeciesName = awr->awar(AWAR_SPECIES_NAME)->read_string(); if (pSpeciesName) { ED4_SeqTerminal = ED4_find_seq_terminal(pSpeciesName); // initializing the seqTerminal to get the current terminal GBDATA *gbSpecies = GBT_find_species(gb_main, pSpeciesName); if(gbSpecies) { char *ali_name = GBT_get_default_alignment(gb_main); GBDATA *gbAlignment = GB_entry(gbTemplate, ali_name); GBDATA *gbTemplateSeqData = gbAlignment ? GB_entry(gbAlignment, "data") : 0; if (!gbTemplateSeqData) { aw_message(GBS_global_string("Mapping impossible, since SAI:ECOLI has no data in alignment '%s'", ali_name)); } else { const char *pTemplateSeqData = GB_read_char_pntr(gbTemplateSeqData); if(!RNA3D->bEColiRefInitialised) { EColiRef = new BI_ecoli_ref(); EColiRef->init(gb_main); RNA3D->bEColiRefInitialised = true; } char buf[100]; char *pSpFullName = GB_read_string(GB_entry(gbSpecies, "full_name")); sprintf(buf, "%s : %s", pSpeciesName, pSpFullName); awr->awar(AWAR_3D_SELECTED_SPECIES)->write_string(buf); GBDATA *gbSeqData = GBT_read_sequence(gbSpecies, ali_name); const char *pSeqData = GB_read_char_pntr(gbSeqData); if (pSeqData && pTemplateSeqData) { int iSeqLen = strlen(pTemplateSeqData); if(bOldSpecesDataExists) { DeleteOldSpeciesData(); } for(int i = 0, iSeqCount = 0; i0; i--) { if((pTemplateSeqData[i] != '.') && (pTemplateSeqData[i] != '-')){ if (!bEndPosStored) { iEndPos = i; bEndPosStored = true; break; } } } if(bOldInsertionDataExists) { DeleteOldInsertionData(); } for(int i = iStartPos, iSeqCount = 0; i < iEndPos; i++) { if((pTemplateSeqData[i] != '.') && (pTemplateSeqData[i] != '-')) { // Store EColi base positions : Insertion point ! iSeqCount++; } if((pTemplateSeqData[i] == '-') && (pSeqData[i] != '-') && (pSeqData[i] != '.')) { StoreInsertions(pSeqData[i],iSeqCount); } } } free(pSpFullName); } free(ali_name); } GenerateBaseDifferenceDisplayList(); GenerateInsertionDisplayList(); } free(pSpeciesName); } GB_pop_transaction(gb_main); } static bool ValidSearchColor(int iColor, int mode) { bool isValid = false; switch (mode) { case SAI: isValid = (iColor >= RNA3D_GC_CBACK_0) && (iColor < RNA3D_GC_MAX); break; case SEARCH: isValid = (iColor >= RNA3D_GC_SBACK_0) && (iColor < RNA3D_GC_MAX); break; } return isValid; } void Structure3D::MapSearchStringsToEcoliTemplate(AW_root * /*awr*/){ if (ED4_SeqTerminal) { const char *pSearchColResults = 0; if (iMapSearch) { // buildColorString builds the background color of each base pSearchColResults = ED4_buildColorString(ED4_SeqTerminal, iStartPos, iEndPos); } if(pSearchColResults) { int iColor = 0; glNewList(MAP_SEARCH_STRINGS_TO_STRUCTURE, GL_COMPILE); { if (RNA3D->bPointSpritesSupported) { glBegin(GL_POINTS); } for (int i = iStartPos; i < iEndPos; i++) { if(RNA3D->bEColiRefInitialised) { long absPos = (long) i; long EColiPos = EColiRef->abs_2_rel(absPos); for(Struct3Dinfo *t = start3D; t != NULL; t = t->next) { if ((t->pos == EColiPos) && (pSearchColResults[i] >= 0)) { iColor = pSearchColResults[i] - COLORLINK; if(ValidSearchColor(iColor, SEARCH)) { RNA3D->cGraphics->SetColor(iColor); PointsToQuads(t->x, t->y, t->z); } break; } } } } if (RNA3D->bPointSpritesSupported) { glEnd(); } } glEndList(); glNewList(MAP_SEARCH_STRINGS_BACKBONE, GL_COMPILE); { int iLastClr = 0; int iLastPos = 0; Vector3 vLastPt; glBegin(GL_LINES); for (int i = iStartPos; i < iEndPos; i++) { if(RNA3D->bEColiRefInitialised) { long absPos = (long) i; long EColiPos = EColiRef->abs_2_rel(absPos); for(Struct3Dinfo *t = start3D; t != NULL; t = t->next) { if ((t->pos == EColiPos) && (pSearchColResults[i] >= 0)) { iColor = pSearchColResults[i] - COLORLINK; if(ValidSearchColor(iColor, SEARCH)) { if ((iLastClr == iColor) && (iLastPos == EColiPos-1)) { RNA3D->cGraphics->SetColor(iColor); glVertex3f(vLastPt.x, vLastPt.y, vLastPt.z); glVertex3f(t->x, t->y, t->z); } iLastPos = EColiPos; iLastClr = iColor; vLastPt.x = t->x; vLastPt.y = t->y; vLastPt.z = t->z; } break; } } } } glEnd(); } glEndList(); RNA3D->bMapSearchStringsDispListCreated = true; } else cout<<"BuildColorString did not get the colors : SAI cannot be Visualized!"<bPointSpritesSupported) { glBegin(GL_POINTS); } for (int i = iStartPos; i < iEndPos; i++) { if(RNA3D->bEColiRefInitialised) { long absPos = (long) i; long EColiPos = EColiRef->abs_2_rel(absPos); for(Struct3Dinfo *t = start3D; t != NULL; t = t->next) { if ((t->pos == EColiPos) && (pSearchColResults[i] >= 0)) { iColor = pSearchColResults[i-1] - SAICOLORS; if(ValidSearchColor(iColor, SAI)) { RNA3D->cGraphics->SetColor(iColor); PointsToQuads(t->x, t->y, t->z); } break; } } } } if (RNA3D->bPointSpritesSupported) { glEnd(); } } glEndList(); RNA3D->bMapSaiDispListCreated = true; } else cout<<"ED4_getSaiColorString did not get the colors : SAI cannot be Visualized!"< #endif #define SAI 0 #define SEARCH 1 #define SSU_16S 1 #define LSU_23S 2 #define LSU_5S 3 #define _1PNU 1 #define _1VOR 2 #define _1C2W 3 // DisplayLists enum { STRUCTURE_BACKBONE = 300, STRUCTURE_BACKBONE_CLR, HELIX_NUMBERS, HELIX_NUMBERS_POINTS, HELIX_A, HELIX_G, HELIX_C, HELIX_U, UNPAIRED_HELIX_A, UNPAIRED_HELIX_G, UNPAIRED_HELIX_C, UNPAIRED_HELIX_U, NON_HELIX_A, NON_HELIX_G, NON_HELIX_C, NON_HELIX_U, STRUCTURE_POS, STRUCTURE_POS_ANCHOR, MAP_SPECIES_BASE_DIFFERENCE, MAP_SPECIES_BASE_DIFFERENCE_POS, MAP_SPECIES_BASE_DIFFERENCE_POS_ANCHOR, MAP_SPECIES_BASE_A, MAP_SPECIES_BASE_G, MAP_SPECIES_BASE_C, MAP_SPECIES_BASE_U, MAP_SPECIES_DELETION, MAP_SPECIES_MISSING, MAP_SPECIES_INSERTION_POINTS, MAP_SPECIES_INSERTION_BASES, MAP_SPECIES_INSERTION_BASES_ANCHOR, MAP_SAI_TO_STRUCTURE, MAP_SEARCH_STRINGS_TO_STRUCTURE,MAP_SEARCH_STRINGS_BACKBONE, ECOLI_CURSOR_POSITION, ECOLI_TERTIARY_INTRACTION_PSEUDOKNOTS, ECOLI_TERTIARY_INTRACTION_TRIPLE_BASES }; struct Struct2Dplus3D { char base; char mask; char code; int pos; int helixNr; float x; float y; float z; struct Struct2Dplus3D *next; }; struct Struct2Dinfo { char base; // Nucleotide char mask; // Helix mask [..<<<..>>>] char code; // Helix code (H)elix (N)on-helix (S)tart (E)nd int pos; // Base Position int helixNr; // Helix Number struct Struct2Dinfo *next; }; struct Struct3Dinfo { float x; float y; float z; char base; int pos; struct Struct3Dinfo *next; }; struct HelixNrInfo { float x,y,z; int helixNr; struct HelixNrInfo *next; }; struct CurrSpecies { float x; float y; float z; int pos; char base; struct CurrSpecies *next; }; struct Insertions { int pos; char base; struct Insertions *next; }; struct Vector3; class ED4_sequence_terminal; class BI_ecoli_ref; class Structure3D { public: Vector3 *strCen; int iInterval; int iMapSAI; int iMapSearch; int iMapEnable; int iStartPos, iEndPos; int iEColiStartPos, iEColiEndPos; int iTotalSubs, iTotalDels, iTotalIns; int LSU_molID; int HelixBase; // to create display lists storing helix information static GBDATA *gb_main; BI_ecoli_ref *EColiRef; ED4_sequence_terminal *ED4_SeqTerminal; OpenGLGraphics *GRAPHICS; // not really a good place - it better should be passed from callers Structure3D(void); virtual ~Structure3D(void); void ReadCoOrdinateFile(); void StoreCoordinates(float x, float y, float z, char base, unsigned int pos); void GetSecondaryStructureInfo(void); void Store2Dinfo(char *info, int pos, int helixNr); void PrepareSecondaryStructureData(void); void Combine2Dand3DstructureInfo(void); void Store2D3Dinfo(Struct2Dinfo *s2D, Struct3Dinfo *s3D); static int FindTypeOfRNA(); void DeleteOldMoleculeData(); void GenerateMoleculeSkeleton(void); void ComputeBasePositions(); void PositionsToCoordinatesDispList(int listID, int *pos, int len); void PointsToQuads(float x, float y, float z); void StoreHelixNrInfo(float x, float y, float z, int helixNr); void GenerateDisplayLists(void); void GenerateHelixDispLists(int HELIX_NR_ID, int HELIX_NR); void GenerateHelixNrDispList(int startHx, int endHx); void GenerateSecStructureHelixRegions(void); void GenerateSecStructureNonHelixRegions(void); void GenerateSecStructureUnpairedHelixRegions(void); void GenerateTertiaryInteractionsDispLists(void); void MapCurrentSpeciesToEcoliTemplate(AW_root *awr); void StoreCurrSpeciesDifference(char base, int pos); void DeleteOldSpeciesData(); void BuildDisplayList(int listID, int *pos, int len); void GenerateBaseDifferenceDisplayList(); void GenerateBaseDifferencePositionDisplayList(); void StoreInsertions(char base, int pos); void DeleteOldInsertionData(); void GenerateInsertionDisplayList(); void GenerateCursorPositionDispList(long pos); void MapSaiToEcoliTemplate(AW_root *awr); void MapSearchStringsToEcoliTemplate(AW_root *awr); }; #else #error RNA3D_StructureData.hxx included twice #endif ./arbsrc_9167/RNA3D/RNA3D_Textures.cxx0000644012664100000130000000515511440743000017203 0ustar arb_buildcoders#include "RNA3D_GlobalHeader.hxx" #include "RNA3D_Global.hxx" #include "RNA3D_Textures.hxx" #include "RNA3D_OpenGLEngine.hxx" #include #include #include #include using namespace std; Texture2D::Texture2D(void){ } Texture2D::~Texture2D(void){ } static char* GetImageFile(int ImageId){ const char *imageName = 0; switch (ImageId) { case CIRCLE: imageName = "Circle.png"; break; case DIAMOND: imageName = "Diamond.png"; break; case POLYGON: imageName = "Polygon.png"; break; case STAR: imageName = "Star.png"; break; case RECTANGLE: imageName = "Rectangle.png"; break; case RECTANGLE_ROUND: imageName = "RectangleRound.png"; break; case STAR_SMOOTH: imageName = "StarSmooth.png"; break; case CONE_UP: imageName = "ConeUp.png"; break; case CONE_DOWN: imageName = "ConeDown.png"; break; case CROSS: imageName = "Cross.png"; break; case QUESTION: imageName = "Question.png"; break; case DANGER: imageName = "Danger.png"; break; case HEXAGON: imageName = "Hexagon.png"; break; case LETTER_A: imageName = "LetterA.png"; break; case LETTER_G: imageName = "LetterG.png"; break; case LETTER_C: imageName = "LetterC.png"; break; case LETTER_U: imageName = "LetterU.png"; break; } if (!imageName) { throw string(GBS_global_string("Illegal image id %i", ImageId)); } char *fname = GBS_find_lib_file(imageName, "rna3d/images/", 0); if (!fname) { throw string("File not found: ")+imageName; } return fname; } // Load Bitmaps And Convert To Textures void Texture2D::LoadGLTextures(void) { for (int i = 0; i < SHAPE_MAX; i++) { char *ImageFile = GetImageFile(i); pngInfo info; // Using pngLoadAndBind to set texture parameters automatically. texture[i] = pngBind(ImageFile, PNG_NOMIPMAP, PNG_ALPHA, &info, GL_CLAMP, GL_NEAREST, GL_NEAREST); if (texture[i] == 0) { throw string(GBS_global_string("Error loading %s", ImageFile)); } if (!RNA3D->bPointSpritesSupported) { glTexEnvf(GL_TEXTURE_ENV,GL_TEXTURE_ENV_MODE,GL_DECAL); } else { glTexEnvf(GL_TEXTURE_ENV,GL_TEXTURE_ENV_MODE,GL_MODULATE); } #ifdef DEBUG cout<= 0 && x= 0 && x #endif #ifndef ARBTOOLS_H #include #endif #ifndef SEC_DEFS_HXX #include "SEC_defs.hxx" #endif class XString : Noncopyable { char *x_string; size_t x_string_len; int x_count; // number of 'x's found in x_string size_t *abspos; // contains absolute positions for all 'x's in 'x_string' int *number_found; // for each absolute position P, contains number of 'x's from start of sequence till P-1 bool initialized; // true if initialize called void set_length(size_t len); // dealloc internal array if length grows void addX(size_t abs_pos) { // add an X at pos initialized = false; sec_assert(abs_pos #include #include #include #include "SEC_bonddef.hxx" #include "SEC_defs.hxx" void SEC_bond_def::clear() { int i, j; for (i=0; i=0 && idxstr) *ins++ = ' '; *ins++ = SEC_BOND_BASE_CHAR[i]; *ins++ = SEC_BOND_BASE_CHAR[j]; } } } *ins = 0; return str; } ./arbsrc_9167/SECEDIT/SEC_bonddef.hxx0000644012664100000130000000375711213220015017042 0ustar arb_buildcoders// ================================================================= // // // // File : sec_bonddef.hxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================= // #ifndef SEC_BONDDEF_HXX #define SEC_BONDDEF_HXX #ifndef ARBDB_H #include #endif #ifndef AW_POSITION_HXX #include #endif using namespace AW; #define SEC_BOND_BASE_CHARS 5 #define SEC_BOND_BASE_CHAR "ACGTU" #define SEC_BOND_PAIR_CHARS 8 #define SEC_BOND_PAIR_CHAR ".o~#=+- @" // order is important for IUPAC bonds class AW_device; class AW_root; class SEC_bond_def { char bond[SEC_BOND_BASE_CHARS][SEC_BOND_BASE_CHARS]; GB_alignment_type ali_type; int get_index(char c) const; void clear(); GB_ERROR insert(const char *pairs, char character); char get_bond(char base1, char base2) const; char *get_pair_string(char pair_char); void paint(AW_device *device, int gc, char bond, const Position& p1, const Position& p2, const Vector& toNextBase, const double& char_radius, AW_CL cd1, AW_CL cd2) const; public: SEC_bond_def(GB_alignment_type aliType) : ali_type(aliType) { clear(); } GB_ERROR update(AW_root *awr, const char *changed_awar_name); void paint(AW_device *device, char base1, char base2, const Position& p1, const Position& p2, const Vector& toNextBase, const double& char_radius, AW_CL cd1, AW_CL cd2) const; }; #else #error sec_bonddef.hxx included twice #endif // SEC_BONDDEF_HXX ./arbsrc_9167/SECEDIT/SEC_db.cxx0000644012664100000130000004446111440743001016025 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_db.cxx // // Purpose : db interface // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include "SEC_db.hxx" #include "SEC_graphic.hxx" #include "SEC_root.hxx" #include "SEC_bonddef.hxx" #include "SEC_toggle.hxx" #include #include #include #include using namespace std; // ---------------------------------- // member function callbacks // ---------------------------------- typedef void (SEC_db_interface::*interface_cb)(const SEC_dbcb *); struct SEC_dbcb { SEC_db_interface *instance; interface_cb member_fun; SEC_dbcb(SEC_db_interface *db, interface_cb cb) : instance(db), member_fun(cb) {} void call() const { (instance->*member_fun)(this); } }; static void awar_cb(AW_root *, AW_CL cl_db_cb, AW_CL) { SEC_dbcb *cb = (SEC_dbcb*)cl_db_cb; cb->call(); } static void db_callback(GBDATA *, int *cl_cb, GB_CB_TYPE) { SEC_dbcb *cb = (SEC_dbcb*)cl_cb; cb->call(); } // --------------------- // SEC_seq_data // --------------------- SEC_seq_data::SEC_seq_data(GBDATA *gb_item, const char *aliname, const SEC_dbcb *cb) { gb_name = GB_search(gb_item, "name", GB_FIND); gb_data = GBT_read_sequence(gb_item, aliname); change_cb = cb; len = GB_read_string_count(gb_data); Data = GB_read_string(gb_data); if (gb_name) GB_add_callback(gb_name,(GB_CB_TYPE)(GB_CB_DELETE | GB_CB_CHANGED), db_callback, (int *)change_cb); if (gb_data) GB_add_callback(gb_data,(GB_CB_TYPE)(GB_CB_DELETE | GB_CB_CHANGED), db_callback, (int *)change_cb); } SEC_seq_data::~SEC_seq_data() { if (gb_name) GB_remove_callback(gb_name,(GB_CB_TYPE)(GB_CB_DELETE | GB_CB_CHANGED), db_callback, (int *)change_cb); if (gb_data) GB_remove_callback(gb_data,(GB_CB_TYPE)(GB_CB_DELETE | GB_CB_CHANGED), db_callback, (int *)change_cb); free(Data); } // ------------------ // pair defs // ------------------ #define AWAR_PAIRS(type) AWAR_SECEDIT_##type##_PAIRS #define AWAR_PCHAR(type) AWAR_SECEDIT_##type##_PAIR_CHAR struct PairDefinition { const char *awar_pairs; const char *awar_pairchar; const char *default_pairs; const char *default_pairchar; }; #define PAIR_TYPES 5 static PairDefinition pairdef[PAIR_TYPES] = { { AWAR_PAIRS(STRONG), AWAR_PCHAR(STRONG), "GC AU AT", "-" }, { AWAR_PAIRS(NORMAL), AWAR_PCHAR(NORMAL), "GU GT", "." }, { AWAR_PAIRS(WEAK) , AWAR_PCHAR(WEAK) , "GA", "o" }, { AWAR_PAIRS(NO) , AWAR_PCHAR(NO) , "AA AC CC CU CT GG UU TT TU", "" }, { AWAR_PAIRS(USER) , AWAR_PCHAR(USER) , "", "" }, }; GB_ERROR SEC_bond_def::update(AW_root *aw_root, const char *changed_awar_name) { GB_ERROR error = 0; if (changed_awar_name) { int changed_pair_idx = -1; for (int i = 0; iawar(changed_awar_name)->read_string(); for (int i = 0; iawar(pairdef[i].awar_pairs); char *oldP = awar->read_string(); insert(oldP, '#'); insert(content, ' '); char *newP = get_pair_string('#'); if (strcmp(oldP, newP) != 0) awar->write_string(newP); free(newP); free(oldP); } } free(content); } } clear(); for (int i = 0; !error && iawar(pairdef[i].awar_pairs)->read_string(); char *pairchar = aw_root->awar(pairdef[i].awar_pairchar)->read_string(); error = insert(pairs, pairchar[0]); free(pairchar); free(pairs); } return error; } static void pair_def_changed_cb(AW_root *aw_root, AW_CL cl_db, AW_CL cl_awar_name) { SEC_db_interface *db = (SEC_db_interface*)cl_db; const char *awar_name = (const char *)cl_awar_name; GB_ERROR err = db->bonds()->update(aw_root, awar_name); if (err) aw_message(err); db->canvas()->refresh(); } static void bind_bonddef_awars(SEC_db_interface *db) { AW_root *aw_root = db->awroot(); for (int i = 0; iawar(pd.awar_pairs)->add_callback(pair_def_changed_cb, (AW_CL)db, (AW_CL)pd.awar_pairs); aw_root->awar(pd.awar_pairchar)->add_callback(pair_def_changed_cb, (AW_CL)db, 0); } pair_def_changed_cb(aw_root, (AW_CL)db, 0); } // -------------------------------------------------------------------------------- void SEC_displayParams::reread(AW_root *aw_root) { show_helixNrs = aw_root->awar(AWAR_SECEDIT_SHOW_HELIX_NRS)->read_int(); distance_between_strands = aw_root->awar(AWAR_SECEDIT_DIST_BETW_STRANDS)->read_float(); show_bonds = (ShowBonds)aw_root->awar(AWAR_SECEDIT_SHOW_BONDS)->read_int(); show_curpos = (ShowCursorPos)aw_root->awar(AWAR_SECEDIT_SHOW_CURPOS)->read_int(); hide_bases = aw_root->awar(AWAR_SECEDIT_HIDE_BASES)->read_int(); show_ecoli_pos = aw_root->awar(AWAR_SECEDIT_SHOW_ECOLI_POS)->read_int(); display_search = aw_root->awar(AWAR_SECEDIT_DISPLAY_SEARCH)->read_int(); display_sai = aw_root->awar(AWAR_SECEDIT_DISPLAY_SAI)->read_int() && ED4_SAIs_visualized(); show_strSkeleton = aw_root->awar(AWAR_SECEDIT_SHOW_STR_SKELETON)->read_int(); skeleton_thickness = aw_root->awar(AWAR_SECEDIT_SKELETON_THICKNESS)->read_int(); bond_thickness = aw_root->awar(AWAR_SECEDIT_BOND_THICKNESS)->read_int(); edit_direction = aw_root->awar(AWAR_EDIT_DIRECTION)->read_int(); #if defined(DEBUG) show_debug = aw_root->awar(AWAR_SECEDIT_SHOW_DEBUG)->read_int(); #endif // DEBUG } // ---------------------------- // SEC_db_interface // ---------------------------- void SEC_db_interface::reload_sequence(const SEC_dbcb *cb) { GB_transaction ta(gb_main); char *species_name = aw_root->awar(AWAR_SPECIES_NAME)->read_string(); bool had_sequence = sequence; GBDATA *gb_species = GBT_find_species(gb_main, species_name); delete sequence; if (gb_species) { sequence = new SEC_seq_data(gb_species, aliname, cb); seqTerminal = ED4_find_seq_terminal(species_name); } else { sequence = 0; seqTerminal = 0; } if (bool(sequence) != had_sequence) gfx->request_update(SEC_UPDATE_ZOOM_RESET); if (sequence) gfx->request_update(SEC_UPDATE_SHOWN_POSITIONS); if (perform_refresh) ntw->refresh(); free(species_name); } void SEC_db_interface::reload_ecoli(const SEC_dbcb *cb) { GB_transaction ta(gb_main); delete ecoli_seq; delete Ecoli; GBDATA *gb_ecoli = GBT_find_SAI(gb_main,"ECOLI"); if (gb_ecoli) { ecoli_seq = new SEC_seq_data(gb_ecoli, aliname, cb); Ecoli = new BI_ecoli_ref; GB_ERROR error = Ecoli->init(ecoli_seq->sequence(), ecoli_seq->length()); if (error) { error = ta.close(error); aw_message(error); } } else { ecoli_seq = 0; Ecoli = 0; } gfx->request_update(SEC_UPDATE_SHOWN_POSITIONS); if (perform_refresh) ntw->refresh(); } void SEC_db_interface::reload_helix(const SEC_dbcb *cb) { GB_transaction ta(gb_main); delete helix_nr; helix_nr = 0; delete helix_pos; helix_pos = 0; delete Helix; Helix = 0; char *helix_pos_name = GBT_get_default_helix(gb_main); GBDATA *gb_helix_pos = GBT_find_SAI(gb_main, helix_pos_name); if (gb_helix_pos) { char *helix_nr_name = GBT_get_default_helix_nr(gb_main); GBDATA *gb_helix_nr = GBT_find_SAI(gb_main, helix_nr_name); if (gb_helix_nr) { helix_pos = new SEC_seq_data(gb_helix_pos, aliname, cb); helix_nr = new SEC_seq_data(gb_helix_nr, aliname, cb); Helix = new BI_helix; GB_ERROR error = Helix->initFromData(helix_nr->sequence(), helix_pos->sequence(), helix_pos->length()); if (error) { error = ta.close(error); aw_message(error); } } free(helix_nr_name); } free(helix_pos_name); gfx->request_update(static_cast(SEC_UPDATE_SHOWN_POSITIONS|SEC_UPDATE_RELOAD)); if (perform_refresh) ntw->refresh(); } void SEC_db_interface::update_positions(const SEC_dbcb *) { displayBindingHelixPositions = aw_root->awar(AWAR_SECEDIT_DISPPOS_BINDING)->read_int(); displayEcoliPositions = aw_root->awar(AWAR_SECEDIT_DISPPOS_ECOLI)->read_int(); gfx->sec_root->nail_cursor(); gfx->request_update(SEC_UPDATE_SHOWN_POSITIONS); if (perform_refresh) ntw->refresh(); } void SEC_db_interface::relayout(const SEC_dbcb *) { SEC_root *root = secroot(); root->reread_display_params(awroot()); root->nail_cursor(); gfx->request_update(SEC_UPDATE_RECOUNT); if (perform_refresh) ntw->refresh(); } void SEC_db_interface::refresh(const SEC_dbcb *) { SEC_root *root = secroot(); root->reread_display_params(awroot()); if (perform_refresh) ntw->refresh(); } void SEC_root::set_cursor(int abspos, bool performRefresh) { if (performRefresh) { nail_cursor(); int nailedPos = nailedAbsPos; cursorAbsPos = abspos; db->canvas()->refresh(); nailedAbsPos = nailedPos; position_cursor(false, false); } else { cursorAbsPos = abspos; } } void SEC_db_interface::cursor_changed(const SEC_dbcb *) { SEC_root *root = secroot(); int seq_pos = aw_root->awar_int(AWAR_CURSOR_POSITION)->read_int()-1; // sequence position is starting with 1 root->set_cursor(seq_pos, perform_refresh); } void SEC_db_interface::alilen_changed(const SEC_dbcb *) { #warning @@@reread alilen #warning test changing ali length! gfx->request_update(SEC_UPDATE_RELOAD); if (perform_refresh) ntw->refresh(); } // -------------------------------------------------------------------------------- static const char *update_pos_awars[] = { AWAR_SECEDIT_DISPPOS_BINDING, AWAR_SECEDIT_DISPPOS_ECOLI, NULL }; static const char *relayout_awars[] = { AWAR_SECEDIT_DIST_BETW_STRANDS, NULL }; static const char *refresh_awars[] = { AWAR_SECEDIT_SHOW_HELIX_NRS, AWAR_SECEDIT_SHOW_BONDS, AWAR_SECEDIT_SHOW_CURPOS, AWAR_SECEDIT_HIDE_BASES, AWAR_SECEDIT_SHOW_ECOLI_POS, AWAR_SECEDIT_DISPLAY_SEARCH, AWAR_SECEDIT_DISPLAY_SAI, AWAR_SECEDIT_SHOW_STR_SKELETON, AWAR_SECEDIT_SKELETON_THICKNESS, AWAR_SECEDIT_BOND_THICKNESS, AWAR_EDIT_DIRECTION, ED4_AWAR_SEARCH_RESULT_CHANGED, #if defined(DEBUG) AWAR_SECEDIT_SHOW_DEBUG, #endif // DEBUG NULL }; void SEC_db_interface::bind_awars(const char **awars, SEC_dbcb *cb) { for (int i = 0; awars[i]; ++i) { aw_root->awar(awars[i])->add_callback(awar_cb, (AW_CL)cb, 0); } } // -------------------------------------------------------------------------------- static void create_awars(AW_root *aw_root,AW_default def) { aw_root->awar_int(AWAR_SECEDIT_BASELINEWIDTH,0,def)->set_minmax(0,10); aw_root->awar_string(AWAR_FOOTER); { char *dir = GBS_global_string_copy("%s/.arb_prop/secondary_structure", GB_getenvHOME()); aw_create_selection_box_awars(aw_root, AWAR_SECEDIT_SAVEDIR, dir, ".ass", "noname.ass"); free(dir); } aw_root->awar_float(AWAR_SECEDIT_DIST_BETW_STRANDS, 1, def)->set_minmax(0.001, 1000); aw_root->awar_int(AWAR_SECEDIT_SKELETON_THICKNESS, 1, def)->set_minmax(1, 100); aw_root->awar_int(AWAR_SECEDIT_BOND_THICKNESS, 1, def)->set_minmax(1, 100); #if defined(DEBUG) aw_root->awar_int(AWAR_SECEDIT_SHOW_DEBUG, 0, def); #endif // DEBUG aw_root->awar_int(AWAR_SECEDIT_SHOW_HELIX_NRS, 0, def); aw_root->awar_int(AWAR_SECEDIT_SHOW_ECOLI_POS, 0, def); aw_root->awar_int(AWAR_SECEDIT_SHOW_STR_SKELETON, 0, def); aw_root->awar_int(AWAR_SECEDIT_HIDE_BASES, 0, def); aw_root->awar_int(AWAR_SECEDIT_SHOW_BONDS, SHOW_HELIX_BONDS, def); aw_root->awar_int(AWAR_SECEDIT_SHOW_CURPOS, SHOW_ABS_CURPOS, def); aw_root->awar_int(AWAR_SECEDIT_DISPLAY_SAI, 0, def); aw_root->awar_int(AWAR_SECEDIT_DISPLAY_SEARCH, 0, def); aw_root->awar_int(AWAR_SECEDIT_DISPPOS_BINDING, 0, def); aw_root->awar_int(AWAR_SECEDIT_DISPPOS_ECOLI, 1, def); for (int i = 0; iawar_string(pd.awar_pairs, pd.default_pairs); aw_root->awar_string(pd.awar_pairchar, pd.default_pairchar); } } // -------------------------------------------------------------------------------- SEC_db_interface::SEC_db_interface(SEC_graphic *Gfx, AWT_canvas *Ntw) : sequence(0) , seqTerminal(0) , displayEcoliPositions(false) , ecoli_seq(0) , Ecoli(0) , displayBindingHelixPositions(true) , helix_nr(0) , helix_pos(0) , Helix(0) , gfx(Gfx) , ntw(Ntw) , gb_main(gfx->gb_main) , aw_root(gfx->aw_root) , perform_refresh(false) { GB_transaction ta(gb_main); create_awars(aw_root, AW_ROOT_DEFAULT); aliname = GBT_get_default_alignment(gb_main); sec_assert(aliname); ali_length = GBT_get_alignment_len(gb_main, aliname); displayPos = new bool[ali_length]; bonddef = new SEC_bond_def(GBT_get_alignment_type(gb_main, aliname)); // awar and DB callbacks: sequence_cb = new SEC_dbcb(this, &SEC_db_interface::reload_sequence); ecoli_cb = new SEC_dbcb(this, &SEC_db_interface::reload_ecoli); helix_cb = new SEC_dbcb(this, &SEC_db_interface::reload_helix); updatepos_cb = new SEC_dbcb(this, &SEC_db_interface::update_positions); relayout_cb = new SEC_dbcb(this, &SEC_db_interface::relayout); refresh_cb = new SEC_dbcb(this, &SEC_db_interface::refresh); cursorpos_cb = new SEC_dbcb(this, &SEC_db_interface::cursor_changed); alilen_changed_cb = new SEC_dbcb(this, &SEC_db_interface::alilen_changed); aw_root->awar_string(AWAR_SPECIES_NAME,"",gb_main)->add_callback(awar_cb, (AW_CL)sequence_cb, 0); aw_root->awar_string(AWAR_CURSOR_POSITION,"",gb_main)->add_callback(awar_cb, (AW_CL)cursorpos_cb, 0); bind_awars(update_pos_awars, updatepos_cb); bind_awars(relayout_awars, relayout_cb); bind_awars(refresh_awars, refresh_cb); bind_bonddef_awars(this); { GBDATA *gb_alignment = GBT_get_alignment(gb_main,aliname); GBDATA *gb_alignment_len = GB_search(gb_alignment,"alignment_len",GB_FIND); sec_assert(gb_alignment_len); GB_add_callback(gb_alignment_len, GB_CB_CHANGED, db_callback, (int*)alilen_changed_cb); } sequence_cb->call(); ecoli_cb->call(); helix_cb->call(); updatepos_cb->call(); relayout_cb->call(); refresh_cb->call(); // toggler = new SEC_structure_toggler(gb_main, aliname, gfx); toggler = 0; perform_refresh = true; } SEC_db_interface::~SEC_db_interface() { free(aliname); delete [] displayPos; delete sequence; sequence = 0; delete ecoli_seq; ecoli_seq = 0; delete Ecoli; Ecoli = 0; delete helix_nr; helix_nr = 0; delete helix_pos; helix_pos = 0; delete Helix; Helix = 0; delete sequence_cb; sequence_cb = 0; delete ecoli_cb; ecoli_cb = 0; delete helix_cb; helix_cb = 0; delete updatepos_cb; updatepos_cb = 0; delete relayout_cb; relayout_cb = 0; delete refresh_cb; refresh_cb = 0; delete cursorpos_cb; cursorpos_cb = 0; delete alilen_changed_cb; alilen_changed_cb = 0; delete toggler; toggler = 0; delete bonddef; bonddef = 0; } SEC_root *SEC_db_interface::secroot() const { return gfx->sec_root; } // -------------------------------------------------------------------------------- inline bool gap(char c) { return c == '-' || c == '.'; } void SEC_db_interface::update_shown_positions() { shown = 0; sec_assert(sequence && Helix); for (size_t pos = 0; pospairtype(pos) != HELIX_NONE; char base = baseAt(pos); if (isPaired) { if (displayBindingHelixPositions) { displayPos[pos] = true; } else { char oppoBase = baseAt(Helix->opposite_position(pos)); displayPos[pos] = !(gap(base) && gap(oppoBase)); // display if one side of helix has base } } else { displayPos[pos] = !gap(base); } shown += displayPos[pos]; } // add hidden ecoli positions if (displayEcoliPositions && ecoli_seq) { for (size_t pos = 0; posdata(pos))) { displayPos[pos] = true; shown++; } } } } void SEC_db_interface::init_toggler() const { if (!toggler) toggler = new SEC_structure_toggler(gb_main, aliname, gfx); } void SEC_root::update_shown_positions() { db->update_shown_positions(); } // -------------------------------------------------------------------------------- ./arbsrc_9167/SECEDIT/SEC_db.hxx0000644012664100000130000001447711440743001016036 0ustar arb_buildcoders// =============================================================== // // // // File : sec_db.hxx // // Purpose : DB interface // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SEC_DB_HXX #define SEC_DB_HXX #ifndef _CPP_CSTDIO #include #endif #ifndef ARBDB_H #include #endif #ifndef ARBTOOLS_H #include #endif #ifndef BI_HELIX_HXX #include #endif #ifndef SEC_DEFS_HXX #include "SEC_defs.hxx" #endif // -------------------------------------------------------------------------------- #define AWAR_SECEDIT_BASELINEWIDTH "secedit/baselinewidth" #define AWAR_SECEDIT_SAVEDIR "secedit/savedir" #define AWAR_SECEDIT_DIST_BETW_STRANDS "secedit/layout/dist_betw_strands" #define AWAR_SECEDIT_SKELETON_THICKNESS "secedit/layout/skelton_thickness" #define AWAR_SECEDIT_BOND_THICKNESS "secedit/layout/bond_thickness" #define AWAR_SECEDIT_SHOW_DEBUG "secedit/layout/show_debug_info" #define AWAR_SECEDIT_SHOW_HELIX_NRS "secedit/layout/show_helix_numbers" #define AWAR_SECEDIT_SHOW_ECOLI_POS "secedit/layout/show_ecoli_pos" #define AWAR_SECEDIT_SHOW_STR_SKELETON "secedit/layout/show_structure_skeleton" #define AWAR_SECEDIT_HIDE_BASES "secedit/layout/hide_bases" #define AWAR_SECEDIT_SHOW_BONDS "secedit/layout/show_bonds" #define AWAR_SECEDIT_SHOW_CURPOS "secedit/layout/show_cursor_pos" #define AWAR_SECEDIT_DISPLAY_SAI "secedit/layout/display_sai" #define AWAR_SECEDIT_DISPLAY_SEARCH "secedit/layout/display_search" #define AWAR_SECEDIT_DISPPOS_BINDING "secedit/layout/disppos_binding" #define AWAR_SECEDIT_DISPPOS_ECOLI "secedit/layout/disppos_ecoli" #define AWAR_SECEDIT_STRONG_PAIRS "secedit/layout/pairs/strong" // Bonds #define AWAR_SECEDIT_NORMAL_PAIRS "secedit/layout/pairs/normal" #define AWAR_SECEDIT_WEAK_PAIRS "secedit/layout/pairs/weak" #define AWAR_SECEDIT_NO_PAIRS "secedit/layout/pairs/no" #define AWAR_SECEDIT_USER_PAIRS "secedit/layout/pairs/user" #define AWAR_SECEDIT_STRONG_PAIR_CHAR "secedit/layout/pairs/strong_char" #define AWAR_SECEDIT_NORMAL_PAIR_CHAR "secedit/layout/pairs/normal_char" #define AWAR_SECEDIT_WEAK_PAIR_CHAR "secedit/layout/pairs/weak_char" #define AWAR_SECEDIT_NO_PAIR_CHAR "secedit/layout/pairs/no_char" #define AWAR_SECEDIT_USER_PAIR_CHAR "secedit/layout/pairs/user_char" // -------------------------------------------------------------------------------- struct SEC_dbcb; class SEC_db_interface; class SEC_seq_data { // represents a sequence (or SAI) GBDATA *gb_name; GBDATA *gb_data; const SEC_dbcb *change_cb; size_t len; char *Data; public: SEC_seq_data(GBDATA *gb_item, const char *aliname, const SEC_dbcb *reload_item); ~SEC_seq_data(); bool valid() const { return Data; } size_t length() const { sec_assert(valid()); return len; } char data(size_t abspos) const { sec_assert(absposdata(abspos); } AW_root *awroot() const { return aw_root; } GBDATA *gbmain() const { return gb_main; } SEC_graphic *graphic() const { return gfx; } SEC_root *secroot() const; AWT_canvas *canvas() const { return ntw; } BI_helix *helix() const { return Helix; } BI_ecoli_ref *ecoli() const { return Ecoli; } const ED4_sequence_terminal *get_seqTerminal() const { return seqTerminal; } SEC_bond_def *bonds() const { return bonddef; } SEC_structure_toggler *structure() const { return toggler; } void init_toggler() const; }; #else #error sec_db.hxx included twice #endif // SEC_DB_HXX ./arbsrc_9167/SECEDIT/SEC_defs.hxx0000644012664100000130000000163411213220015016352 0ustar arb_buildcoders// ================================================================= // // // // File : sec_defs.hxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================= // #ifndef SEC_DEFS_HXX #define SEC_DEFS_HXX #ifndef ARB_ASSERT_H #include #endif #define sec_assert(cond) arb_assert(cond) #else #error sec_defs.hxx included twice #endif // SEC_DEFS_HXX ./arbsrc_9167/SECEDIT/SEC_drawn_pos.hxx0000644012664100000130000000512111440743001017427 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_drawn_pos.hxx // // Purpose : store all drawn positions // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SEC_DRAWN_POS_HXX #define SEC_DRAWN_POS_HXX #ifndef _CPP_MAP #include #endif #ifndef ARBTOOLS_H #include #endif #ifndef AW_POSITION_HXX #include #endif using namespace AW; typedef std::map PosMap; class SEC_drawn_positions : Noncopyable { PosMap drawnAt; public: void clear() { drawnAt.clear(); } void announce(size_t abs, const Position& drawn) { drawnAt[abs] = drawn; } bool empty() const { return drawnAt.empty(); } const PosMap::const_iterator begin() const { return drawnAt.begin(); } const PosMap::const_iterator end() const { return drawnAt.end(); } const Position *drawn_at(size_t abs) const { PosMap::const_iterator found = drawnAt.find(abs); return (found == drawnAt.end()) ? 0 : &(found->second); } const Position& drawn_before(size_t abspos, size_t *before_abs) const { sec_assert(!empty()); PosMap::const_iterator found = drawnAt.lower_bound(abspos); // first pos which is >= abs if (found == drawnAt.end() || --found == drawnAt.end()) { found = ++drawnAt.rbegin().base(); } if (before_abs) *before_abs = found->first; return *&found->second; } const Position& drawn_after(size_t abspos, size_t *after_abs) const { sec_assert(!empty()); PosMap::const_iterator found = drawnAt.upper_bound(abspos); // first pos which is > abspos if (found == drawnAt.end()) { // no position drawn behind abs found = drawnAt.begin(); // wrap to start } if (after_abs) *after_abs = found->first; return *&found->second; } const Position& drawn_at_or_after(size_t abspos) const { const Position *at = drawn_at(abspos); return at ? *at : drawn_after(abspos, 0); } }; #else #error SEC_drawn_pos.hxx included twice #endif // SEC_DRAWN_POS_HXX ./arbsrc_9167/SECEDIT/secedit_extern.hxx0000644012664100000130000000160411213220015017741 0ustar arb_buildcoders// =============================================================== // // // // File : secedit_extern.hxx // // Purpose : external interface // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SECEDIT_EXTERN_HXX #define SECEDIT_EXTERN_HXX AW_window *SEC_create_main_window(AW_root *awr, GBDATA *gb_main); #else #error secedit_extern.hxx included twice #endif // SECEDIT_EXTERN_HXX ./arbsrc_9167/SECEDIT/SEC_gc.hxx0000644012664100000130000000425311440743001016031 0ustar arb_buildcoders// =============================================================== // // // // File : sec_gc.hxx // // Purpose : GC definitions // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SEC_GC_HXX #define SEC_GC_HXX enum { SEC_GC_LOOP = 0, SEC_GC_FIRST_FONT = SEC_GC_LOOP, SEC_GC_FIRST_DATA = SEC_GC_LOOP, SEC_GC_HELIX, SEC_GC_NHELIX, SEC_GC_LAST_DATA = SEC_GC_NHELIX, SEC_GC_DEFAULT, SEC_GC_ERROR = SEC_GC_DEFAULT, SEC_GC_BONDS, SEC_GC_ECOLI, SEC_GC_LAST_FONT = SEC_GC_ECOLI, SEC_GC_HELIX_NO, SEC_GC_CBACK_0, // Ranges for SAI visualization SEC_GC_CBACK_1, SEC_GC_CBACK_2, SEC_GC_CBACK_3, SEC_GC_CBACK_4, SEC_GC_CBACK_5, SEC_GC_CBACK_6, SEC_GC_CBACK_7, SEC_GC_CBACK_8, SEC_GC_CBACK_9, SEC_GC_CURSOR, SEC_GC_MBACK, //mismatches SEC_GC_SBACK_0, // User 1 SEC_GC_SBACK_1, // User 2 SEC_GC_SBACK_2, // Probe SEC_GC_SBACK_3, // Primer (local) SEC_GC_SBACK_4, // Primer (region) SEC_GC_SBACK_5, // Primer (global) SEC_GC_SBACK_6, // Signature (local) SEC_GC_SBACK_7, // Signature (region) SEC_GC_SBACK_8, // Signature (global) SEC_SKELE_HELIX, //skeleton helix color SEC_SKELE_LOOP, //skeleton loop color SEC_SKELE_NHELIX, //skeleton non-pairing helix color SEC_GC_MAX }; // AW_gc #define SEC_GC_DATA_COUNT (SEC_GC_LAST_DATA-SEC_GC_FIRST_DATA+1) #define SEC_GC_FONT_COUNT (SEC_GC_LAST_FONT-SEC_GC_FIRST_FONT+1) #else #error sec_gc.hxx included twice #endif // SEC_GC_HXX ./arbsrc_9167/SECEDIT/SEC_graphic.cxx0000644012664100000130000007314011440743001017051 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_graphic.cxx // // Purpose : GUI for structure window // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include #include #include #include #include #include #include #include #include #include "SEC_graphic.hxx" #include "SEC_root.hxx" #include "SEC_iter.hxx" #include "SEC_toggle.hxx" // SEC_graphic *SEC_GRAPHIC = 0; using namespace std; AW_gc_manager SEC_graphic::init_devices(AW_window *aww, AW_device *device, AWT_canvas* ntw, AW_CL) { AW_gc_manager preset_window = AW_manage_GC(aww, device, SEC_GC_LOOP, SEC_GC_MAX, AW_GCM_DATA_AREA, (AW_CB)AWT_expose_cb, (AW_CL)ntw, 0, false, "#A1A1A1", "LOOP$#247900", "HELIX$#085DAB", "NONPAIRING HELIX$#D52B69", "DEFAULT$#000000", "BONDS$#000000", "ECOLI POSITION$#FFE223", "HELIX NUMBERS$#D4D4D4", // Color Ranges to paint SAIs "+-RANGE 0$#FFFFFF", "+-RANGE 1$#E0E0E0", "-RANGE 2$#C0C0C0", "+-RANGE 3$#A0A0A0", "+-RANGE 4$#909090", "-RANGE 5$#808080", "+-RANGE 6$#808080", "+-RANGE 7$#505050", "-RANGE 8$#404040", "+-RANGE 9$#303030", "+-CURSOR$#BF1515", "-MISMATCHES$#FF9AFF", // colors used to Paint search patterns // (do not change the names of these gcs) "+-User1$#B8E2F8", "+-User2$#B8E2F8", "-Probe$#B8E2F8", "+-Primer(l)$#A9FE54", "+-Primer(r)$#A9FE54", "-Primer(g)$#A9FE54", "+-Sig(l)$#DBB0FF", "+-Sig(r)$#DBB0FF", "-Sig(g)$#DBB0FF", // colors used to paint the skeleton of the structure "+-SKELETON HELIX${HELIX}", "+-SKELETON LOOP${LOOP}", "-SKELETON NONHELIX${NONPAIRING HELIX}", NULL ); return preset_window; } static GB_ERROR change_constraints(SEC_base *elem) { GB_ERROR error = 0; GB_CSTR constraint_type = 0; GB_CSTR element_type = 0; switch (elem->getType()) { case SEC_HELIX: constraint_type = "length"; element_type = "helix"; break; case SEC_LOOP: constraint_type = "radius"; element_type = "loop"; break; default: sec_assert(0); error = "Illegal element type"; break; } if (!error) { char *question = GBS_global_string_copy("%s-constraints for %s", constraint_type, element_type); char *answer = aw_input(question, GBS_global_string("%.2f-%.2f", elem->minSize(), elem->maxSize())); while (answer) { char *end; double low = strtod(answer, &end); if (end[0]!='-') { error = "Wrong format! Wanted format is 'lower-upper'"; } else { double high = strtod(end+1, 0); if (low<0 || high<0 || (low && high && low>high)) { error = "Illegal values"; } else { #if defined(DEBUG) sec_assert(!low || !high || low<=high); #endif // DEBUG elem->setConstraints(low, high); break; } } sec_assert(error); aw_popup_ok(error); char *retry = aw_input(question, answer); free(answer); answer = retry; } free(answer); free(question); } return error; } GB_ERROR SEC_graphic::handleKey(AW_event_type event, AW_key_mod key_modifier, AW_key_code key_code, char key_char) { GB_ERROR error = 0; if (event == AW_Keyboard_Press) { bool wrapped = false; // avoid deadlock int curpos = sec_root->get_cursor(); int maxIndex = sec_root->max_index(); bool setCurpos = false; bool handled = false; if (key_modifier == AW_KEYMODE_NONE) { switch (key_code) { case AW_KEY_LEFT: { while (1) { curpos--; if (curpos<0) { curpos = maxIndex; if (wrapped) break; wrapped = true; } if (sec_root->shallDisplayPosition(curpos)) { setCurpos = true; break; } } break; } case AW_KEY_RIGHT: { while (1) { curpos++; if (curpos > maxIndex) { curpos = 0; if (wrapped) break; wrapped = true; } if (sec_root->shallDisplayPosition(curpos)) { setCurpos = true; break; } } break; } case AW_KEY_ASCII: { const char *toggle_awar = 0; int val_max = 1; switch (key_char) { case 'b': toggle_awar = AWAR_SECEDIT_SHOW_BONDS; val_max = 2; break; case 'B': toggle_awar = AWAR_SECEDIT_HIDE_BASES; break; case 'k': toggle_awar = AWAR_SECEDIT_SHOW_STR_SKELETON; break; case 'c': toggle_awar = AWAR_SECEDIT_SHOW_CURPOS; val_max = 3; break; case 'h': toggle_awar = AWAR_SECEDIT_SHOW_HELIX_NRS; break; case 'e': toggle_awar = AWAR_SECEDIT_SHOW_ECOLI_POS; break; case 's': toggle_awar = AWAR_SECEDIT_DISPLAY_SAI; break; case 'r': toggle_awar = AWAR_SECEDIT_DISPLAY_SEARCH; break; case 'E': toggle_awar = AWAR_SECEDIT_DISPPOS_ECOLI; break; case 'H': toggle_awar = AWAR_SECEDIT_DISPPOS_BINDING; break; #if defined(DEBUG) case 'd': toggle_awar = AWAR_SECEDIT_SHOW_DEBUG; break; #endif // DEBUG case 't': error = sec_root->get_db()->structure()->next(); handled = true; break; } if (toggle_awar) { AW_awar *awar = aw_root->awar(toggle_awar); int val = awar->read_int()+1; if (val>val_max) val = 0; awar->write_int(val); handled = true; } break; } default: break; } } if (setCurpos) { aw_root->awar_int(AWAR_SET_CURSOR_POSITION)->write_int(curpos); handled = true; } if (!handled) { // pass unhandled key events to EDIT4 AW_event faked_event; memset((char*)&faked_event, 0, sizeof(faked_event)); faked_event.type = event; faked_event.keymodifier = key_modifier; faked_event.keycode = key_code; faked_event.character = key_char; ED4_remote_event(&faked_event); } } return error; } GB_ERROR SEC_graphic::handleMouse(AW_device *device, AW_event_type event, int button, AWT_COMMAND_MODE cmd, const Position& world, SEC_base *elem, int abspos) { GB_ERROR error = 0; // ----------------------------------------- // handle element dependent actions // ----------------------------------------- if (elem) { static Position start; // click position on mouse down Position fixpoint = elem->get_fixpoint(); // of strand or loop SEC_loop *loop = 0; SEC_helix *helix = 0; if (elem->getType() == SEC_HELIX) helix = static_cast(elem); else { sec_assert(elem->getType() == SEC_LOOP); loop = static_cast(elem); } if (event == AW_Mouse_Press) start = world; // store start position switch (cmd) { case AWT_MODE_STRETCH: { // change constraints with mouse static double start_size; // helix/loop size at start click switch (event) { case AW_Mouse_Press: if (button == AWT_M_LEFT) { start_size = elem->drawnSize(); sec_root->set_show_constraints(elem->getType()); exports.refresh = 1; } else { // right button -> reset constraints elem->setConstraints(0, 0); elem->sizeChanged(); exports.refresh = 1; exports.save = 1; } break; case AW_Mouse_Drag: if (button == AWT_M_LEFT) { double dfix1 = Distance(fixpoint, start); double dfix2 = Distance(fixpoint, world); if (dfix1>0 && dfix2>0) { double factor = dfix2/dfix1; double new_size = start_size*factor; elem->setDrawnSize(new_size); elem->sizeChanged(); exports.refresh = 1; } } break; case AW_Mouse_Release: sec_root->set_show_constraints(SEC_ANY_TYPE); exports.save = 1; break; default: sec_assert(0); break; } break; } case AWT_MODE_MOD: // edit constraints if (button==AWT_M_LEFT && event==AW_Mouse_Press) { error = change_constraints(elem); if (!error) { elem->sizeChanged(); exports.save = 1; } } break; case AWT_MODE_ROT: { // rotate branches/loops if (event == AW_Mouse_Release) { exports.save = 1; } else { static Angle startClick; // angle between fixpoint (of loop or helix) and first-click static bool rotateSubStructure; // whether to rotate the substructure below static vector old; // old angles if (loop && loop->is_root_loop()) fixpoint = loop->get_center(); Angle fix2world(fixpoint, world); if (event == AW_Mouse_Press) { startClick = fix2world; old.clear(); rotateSubStructure = (button == AWT_M_LEFT); if (loop) { old.push_back(loop->get_abs_angle()); if (!rotateSubStructure) { for (SEC_strand_iterator strand(loop); strand; ++strand) { if (strand->isRootsideFixpoint()) { old.push_back(strand->get_helix()->get_abs_angle()); } } } } else { old.push_back(helix->get_abs_angle()); old.push_back(helix->outsideLoop()->get_abs_angle()); } } else { sec_assert(event == AW_Mouse_Drag); Angle diff = fix2world-startClick; if (loop) { loop->set_abs_angle(old[0]+diff); if (!rotateSubStructure) { int idx = 1; for (SEC_strand_iterator strand(loop); strand; ++strand) { if (strand->isRootsideFixpoint()) { strand->get_helix()->set_abs_angle(old[idx++]); } } } } else { helix->set_abs_angle(old[0]+diff); if (!rotateSubStructure) helix->outsideLoop()->set_abs_angle(old[1]); } exports.refresh = 1; elem->orientationChanged(); } } break ; } case AWT_MODE_SETROOT: // set-root-mode / reset angles if (event == AW_Mouse_Press) { if (button == AWT_M_LEFT) { // set root if (loop) { sec_root->set_root(loop); exports.save = 1; } else error = "Please click on a loop to change the root"; } else { // reset angles sec_assert(button == AWT_M_RIGHT); elem->reset_angles(); elem->orientationChanged(); exports.save = 1; } } break ; case AWT_MODE_MOVE: { // fold/unfold helix if (event == AW_Mouse_Press) { if (button == AWT_M_LEFT) { // fold helix if (loop) { const char *helix_nr = sec_root->helixNrAt(abspos); if (helix_nr) { const size_t *p = sec_root->getHelixPositions(helix_nr); error = sec_root->split_loop(p[0], p[1]+1, p[2], p[3]+1); if (!error) { sec_root->nail_position(abspos); exports.save = 1; } } else { error = GBS_global_string("No helix to fold at position %i", abspos); } } else { error = "Click on a loop region to fold a helix"; } } else { // unfold helix sec_assert(button == AWT_M_RIGHT); if (helix) { error = sec_root->unsplit_loop(helix->strandToRoot()); if (!error) { sec_root->nail_position(abspos); exports.save = 1; } } else { error = "Right click on a helix to remove it"; } } } break ; } case AWT_MODE_LINE: case AWT_MODE_PROINFO: elem = 0; // handle element-independent break; default: sec_assert(0); break; } } // -------------------------------------- // action independent of element // -------------------------------------- if (!elem) { switch (cmd) { case AWT_MODE_LINE: // set cursor in ARB_EDIT4 if (event == AW_Mouse_Press) { if (abspos >= 0 && size_t(abspos) < sec_root->max_index()) { // sequence position in AWAR_SET_CURSOR_POSITION is starting with 0! aw_root->awar_int(AWAR_SET_CURSOR_POSITION)->write_int(abspos); } } break; case AWT_MODE_PROINFO: // display search pattern if (event == AW_Mouse_Press) { if (button == AWT_M_LEFT) { if (abspos >= 0 && size_t(abspos) < sec_root->max_index()) { sec_root->paintSearchPatternStrings(device, abspos, world.xpos()+1, world.ypos()); } // dont refresh here! } else { sec_assert(button == AWT_M_RIGHT); exports.refresh = 1; // simply refresh to remove drawn patterns } } break; default: break; } return 0; // no error } if (exports.save == 1) exports.refresh = 1; return error; } void SEC_graphic::command(AW_device *device, AWT_COMMAND_MODE cmd, int button, AW_key_mod key_modifier, AW_key_code key_code, char key_char, AW_event_type event, AW_pos screen_x, AW_pos screen_y, AW_clicked_line *cl, AW_clicked_text *ct) { if (cmd != AWT_MODE_MOD && cmd != AWT_MODE_STRETCH) sec_root->set_show_constraints(SEC_NO_TYPE); GB_ERROR error = 0; if (event== AW_Keyboard_Press || event == AW_Keyboard_Release) { error = handleKey(event, key_modifier, key_code, key_char); } else { if (button != AWT_M_MIDDLE && cmd != AWT_MODE_ZOOM) { // dont handle scroll + zoom AW_CL cd1, cd2; Position world = device->rtransform(Position(screen_x, screen_y)); // current click position if (AW_getBestClick(world, cl, ct, &cd1, &cd2)) { SEC_base *elem = reinterpret_cast(cd1); int abspos = cd2; #if defined(DEBUG) && 0 if (cl->exists) device->line(SEC_GC_CURSOR, cl->x0, cl->y0, cl->x1, cl->y1, -1, 0, -1); if (ct->exists) device->box(SEC_GC_CURSOR, false, ct->textArea, -1, 0, -1); #endif // DEBUG error = handleMouse(device, event, button, cmd, world, elem, abspos); } } } if (error) aw_message(error); } SEC_graphic::SEC_graphic(AW_root *aw_rooti, GBDATA *gb_maini) : update_requested(SEC_UPDATE_RELOAD) , load_error(0) , disp_device(0) , gb_main(gb_maini) , aw_root(aw_rooti) , sec_root(new SEC_root) , gb_struct(0) , gb_struct_ref(0) , last_saved(0) { // update_requested = SEC_UPDATE_RELOAD; // // need to load structure! // gb_struct = 0; // gb_struct_ref = 0; // last_saved = 0; exports.dont_fit_x = 0; exports.dont_fit_y = 0; exports.left_offset = 20; exports.right_offset = 20; exports.top_offset = 20; exports.bottom_offset = 20; exports.dont_scroll = 0; // aw_root = aw_rooti; // gb_main = gb_maini; rot_ct.exists = false; rot_cl.exists = false; // sec_root = new SEC_root; } SEC_graphic::~SEC_graphic(void) { delete sec_root; delete load_error; } void SEC_structure_changed_cb(GBDATA *gb_seq, SEC_graphic *gfx, GB_CB_TYPE type) { if (type == GB_CB_DELETE) { gfx->gb_struct = NULL; gfx->gb_struct_ref = NULL; gfx->request_update(SEC_UPDATE_RELOAD); } else if (GB_read_clock(gb_seq) > gfx->last_saved) { // not changed by secedit self gfx->request_update(SEC_UPDATE_RELOAD); } } /** read awar AWAR_HELIX_NAME to get the name */ GB_ERROR SEC_graphic::load(GBDATA *, const char *, AW_CL, AW_CL) { sec_assert(sec_root->get_db()->canDisplay()); // need a sequence loaded (to fix bugs in versions < 3) sec_root->nail_cursor(); GB_transaction ta(gb_main); // first check timestamp, do not load structure that we have saved !!!! if (gb_struct) { if (GB_read_clock(gb_struct) <= last_saved) return NULL; } /************************** Reset structure ***********************************/ if (gb_struct) { GB_remove_callback( gb_struct, GB_CB_ALL, (GB_CB)SEC_structure_changed_cb, (int *)this); gb_struct = NULL; GB_remove_callback( gb_struct_ref, GB_CB_ALL, (GB_CB)SEC_structure_changed_cb, (int *)this); gb_struct_ref = NULL; } request_update(SEC_UPDATE_RECOUNT); if (gb_struct) { this->last_saved = GB_read_clock(gb_struct); // mark as loaded } GB_ERROR err = 0; /************************** Setup new structure *******************************/ long ali_len = -1; GBDATA *gb_ali = 0; { char *helix_name = GBT_get_default_helix(gb_main); char *name = GBT_readOrCreate_string(gb_main, AWAR_HELIX_NAME, helix_name); sec_assert(name); GBDATA *gb_species = GBT_find_SAI(gb_main, name); if (!gb_species) { err = GB_export_errorf("Cannot find helix template SAI '%s'",name); } else { char *ali_name = GBT_get_default_alignment(gb_main); ali_len = GBT_get_alignment_len(gb_main,ali_name); if (ali_len < 10) { err = GB_export_errorf("alignment '%s' to short to generate helix",ali_name); } else { gb_ali = GB_search(gb_species, ali_name, GB_FIND); if (!gb_ali) { err = GB_export_errorf("Your helix structure template '%s' has no valid sequence for alignment '%s'", name,ali_name); // no sequence for name in the database !!! } } free(ali_name); } free(name); free(helix_name); } // ----------------------- // read structure // ----------------------- if (!err) { gb_struct = GB_search(gb_ali,NAME_OF_STRUCT_SEQ, GB_FIND); if (gb_struct) { gb_struct_ref = GB_search(gb_ali , NAME_OF_REF_SEQ , GB_STRING); char *strct = GB_read_string(gb_struct); char *ref = GB_read_string(gb_struct_ref); err = sec_root->read_data(strct,ref); if (err) { err = GBS_global_string("Defect structure in DB (read-error: '%s')", err); } #if defined(CHECK_INTEGRITY) else { sec_root->check_integrity(CHECK_STRUCTURE); } #endif // CHECK_INTEGRITY free(strct); free(ref); // on first load init structure toggler: if (!err) { sec_root->get_db()->init_toggler(); } } else { err = "no secondary structure was found in your database"; } if (err) { request_update(SEC_UPDATE_ZOOM_RESET); } else { // in the past one additional NAME_OF_STRUCT_SEQ-entry was added everytime the default bone was created // Fix: delete additional entries GBDATA *gb_add = gb_struct; do { sec_assert(GB_has_key(gb_add, NAME_OF_STRUCT_SEQ)); gb_add = GB_nextEntry(gb_add); if (gb_add) { err = GB_delete(gb_add); printf("* Deleting duplicated entry '%s' (%p)\n", NAME_OF_STRUCT_SEQ, gb_add); } } while (gb_add && !err); } } if (!err) { last_saved = GB_read_clock(gb_struct); // mark as loaded request_update(SEC_UPDATE_RECOUNT); if (load_error) { // previous load error? freeset(load_error, 0); request_update(SEC_UPDATE_ZOOM_RESET); } } else { load_error = strdup(err); request_update(SEC_UPDATE_ZOOM_RESET); } /************************* Listen to the database ***************************/ GB_add_callback(gb_struct,GB_CB_ALL,(GB_CB)SEC_structure_changed_cb, (int *)this); GB_add_callback(gb_struct_ref,GB_CB_ALL,(GB_CB)SEC_structure_changed_cb, (int *)this); return err; } /** Save secondary structure to database */ GB_ERROR SEC_graphic::save(GBDATA *, const char *,AW_CL,AW_CL) { if (!gb_struct) return 0; // not loaded, so don't save if (!sec_root) return 0; char *data = sec_root->buildStructureString(); GB_transaction ta(gb_main); GB_ERROR error = GB_write_string(gb_struct,data); if (!error) { const XString& xstr = sec_root->get_xString(); const char *x_string = xstr.get_x_string(); error = GB_write_string(gb_struct_ref,x_string); if (!error && xstr.alignment_too_short()) { aw_message("Your helix needs one gap at end. Please format your alignment!"); } } this->last_saved = GB_read_clock(gb_struct); if (error) { error = ta.close(error); aw_message(error); } return NULL; } GB_ERROR SEC_graphic::read_data_from_db(char **data, char **x_string) const { GB_ERROR error = 0; sec_assert(gb_struct && gb_struct_ref); *data = GB_read_string(gb_struct); if (!*data) error = GB_await_error(); else { *x_string = GB_read_string(gb_struct_ref); if (!*x_string) error = GB_await_error(); } return error; } GB_ERROR SEC_graphic::write_data_to_db(const char *data, const char *x_string) const { if (!gb_struct) return 0; if (!sec_root) return 0; GB_transaction ta(gb_main); GB_ERROR error = GB_write_string(gb_struct, data); if (!error) { error = GB_write_string(gb_struct_ref, x_string); } last_saved = 0; // force reload of data return ta.close(error); } int SEC_graphic::check_update(GBDATA *) { GB_transaction ta(gb_main); const SEC_db_interface *db = sec_root->get_db(); if (db && db->canDisplay()) { if (update_requested & SEC_UPDATE_RELOAD) { GB_ERROR error = load(0, 0, 0, 0); // sets change_flag if (error) { error = ta.close(error); aw_message(error); } update_requested = static_cast((update_requested^SEC_UPDATE_RELOAD)|SEC_UPDATE_RECOUNT); // clear reload flag exports.refresh = 1; } if (update_requested & SEC_UPDATE_SHOWN_POSITIONS) { sec_root->update_shown_positions(); update_requested = static_cast((update_requested^SEC_UPDATE_SHOWN_POSITIONS)|SEC_UPDATE_RECOUNT); // clear reload flag exports.refresh = 1; } if (update_requested & SEC_UPDATE_RECOUNT) { sec_root->invalidate_base_positions(); sec_root->relayout(); update_requested = static_cast(update_requested^SEC_UPDATE_RECOUNT); // clear recount flag exports.refresh = 1; } sec_root->perform_autoscroll(); } int res = 0; if (update_requested & SEC_UPDATE_ZOOM_RESET) { res = 1; // signal zoom reset update_requested = static_cast(update_requested^SEC_UPDATE_ZOOM_RESET); // clear zoom reset flag } return res; } void SEC_graphic::update(GBDATA *) { } void SEC_graphic::show(AW_device *device) { const char *textToDisplay = 0; sec_assert(sec_root); sec_root->clear_last_drawed_cursor_position(); if (sec_root->canDisplay()) { if (sec_root->get_root_loop()) { GB_ERROR paint_error = sec_root->paint(device); if (paint_error) textToDisplay = GBS_global_string("Error: %s", paint_error); } else { if (load_error) textToDisplay = GBS_global_string("Load error: %s", load_error); else textToDisplay = "No structure loaded (yet)"; } } else { const SEC_db_interface *db = sec_root->get_db(); if (!db) textToDisplay = "Not connected to database"; else if (!db->helix()) textToDisplay = "No helix info"; else textToDisplay = "No species selected"; } if (textToDisplay) { // no structure sec_assert(strchr(textToDisplay, '\n') == 0); // linefeeds do not work here device->text(SEC_GC_ECOLI, textToDisplay, 0, 0, 0, 1, 0, 0, 0); sec_root->set_last_drawed_cursor_position(LineVector(Origin, ZeroVector)); } } void SEC_graphic::info(AW_device *device, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct) { aw_message("INFO MESSAGE"); AWUSE(device); AWUSE(x); AWUSE(y); AWUSE(cl); AWUSE(ct); } ./arbsrc_9167/SECEDIT/SEC_graphic.hxx0000644012664100000130000000674011440743001017060 0ustar arb_buildcoders// =============================================================== // // // // File : sec_graphic.hxx // // Purpose : interface to structure GUI // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SEC_GRAPHIC_HXX #define SEC_GRAPHIC_HXX #ifndef _STRING_H #include "string.h" #endif #ifndef _CTYPE_H #include "ctype.h" #endif #ifndef AWT_CANVAS_HXX #include #endif #ifndef AW_POSITION_HXX #include #endif using namespace AW; // names for database: #define NAME_OF_STRUCT_SEQ "_STRUCT" #define NAME_OF_REF_SEQ "_REF" class SEC_root; enum SEC_update_request { SEC_UPDATE_OK = 0, // no update needed SEC_UPDATE_ZOOM_RESET = 1, // zoom reset needed SEC_UPDATE_SHOWN_POSITIONS = 2, // recalculation of shown positions needed SEC_UPDATE_RECOUNT = 4, // complete relayout needed SEC_UPDATE_RELOAD = 8, // reload structure from DB }; class SEC_base; class SEC_graphic: public AWT_graphic { SEC_update_request update_requested; char *load_error; // error occurred during load() protected: // variables - tree compatibility AW_clicked_line rot_cl; AW_clicked_text rot_ct; AW_clicked_line old_rot_cl; AW_device *disp_device; // device for recursive functions GB_ERROR handleKey(AW_event_type event, AW_key_mod key_modifier, AW_key_code key_code, char key_char); GB_ERROR handleMouse(AW_device *device, AW_event_type event, int button, AWT_COMMAND_MODE cmd, const Position& world, SEC_base *elem, int abspos); public: GBDATA *gb_main; AW_root *aw_root; SEC_root *sec_root; // SEC_bond_def bond; GBDATA *gb_struct; // used to save the structure GBDATA *gb_struct_ref; // used to save reference numbers mutable long last_saved; // the transaction serial id when we last saved everything // *********** public section SEC_graphic(AW_root *aw_root, GBDATA *gb_main); virtual ~SEC_graphic(void); virtual AW_gc_manager init_devices(AW_window *,AW_device *,AWT_canvas *ntw,AW_CL); virtual void show(AW_device *device); virtual void info(AW_device *device, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct); virtual void command(AW_device *device, AWT_COMMAND_MODE cmd, int button, AW_key_mod key_modifier, AW_key_code key_code, char key_char, AW_event_type type, AW_pos x, AW_pos y, AW_clicked_line *cl, AW_clicked_text *ct); GB_ERROR load(GBDATA *gb_main, const char *name, AW_CL cd1, AW_CL cd2); // load structure from DB GB_ERROR save(GBDATA *gb_main, const char *name, AW_CL cd1, AW_CL cd2); // save structure to DB int check_update(GBDATA *gb_main); // perform requested updates void update(GBDATA *gb_main); GB_ERROR write_data_to_db(const char *data, const char *x_string) const; GB_ERROR read_data_from_db(char **data, char **x_string) const; void request_update(SEC_update_request req) { update_requested = static_cast(update_requested|req); } }; // extern SEC_graphic *SEC_GRAPHIC; #endif ./arbsrc_9167/SECEDIT/SEC_helix.cxx0000644012664100000130000001463611440743001016552 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_helix.cxx // // Purpose : helix related things // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include "SEC_root.hxx" #include "SEC_helix.hxx" using namespace std; const size_t *SEC_root::getHelixPositions(const char *helixNr) const { sec_assert(helixNr); const BI_helix *helix = get_helixDef(); long start1 = helix->first_position(helixNr); if (start1 == -1) return 0; size_t start2 = helix->last_position(helixNr); static size_t pos[4]; if (size_t(start1)opposite_position(pos[1]); pos[3] = helix->opposite_position(pos[0]); return pos; } // ------------------------------------------- // current way to save folded helices: // // save a list of helix-numbers (with sign) seperated by ';' // strand start-positions are saved as 'num' // segment start-positions are saved as '!num' char *SEC_xstring_to_foldedHelixList(const char *x_string, size_t xlength, const BI_helix *helix) { GBS_strstruct *out = GBS_stropen(1000); bool next_is_start = true; for (size_t pos = 0; pospairtype(pos); const char *helixNr = helix->helixNr(pos); if (next_is_start) { sec_assert(pairType != HELIX_NONE); GBS_strcat(out, helixNr); } else { bool is_end_and_start = pairType != HELIX_NONE; sec_assert(helix->pairtype(pos-1) != HELIX_NONE); GBS_strnprintf(out, 20, "!%s", helix->helixNr(pos-1)); if (is_end_and_start) { GBS_chrcat(out, ';'); GBS_strcat(out, helixNr); next_is_start = !next_is_start; } } next_is_start = !next_is_start; GBS_chrcat(out, ';'); } } return GBS_strclose(out); } char *SEC_foldedHelixList_to_xstring(const char *foldedHelices, size_t xlength, const BI_helix *helix, GB_ERROR& error) { // example of foldedHelices: '-5;!-5;-8;!-8;-9;!-9;9;!9;8;!8;5;!5;-18;!-18;18;!18;-19a;!-19a;19a;!19a;-21;!-21;-24;!-24;24;!24;21;!21;-27;!-27;27;!27;-31;!-31;-43;!-43;43;!43;-46;!-46;46;!46;31;!31;-50;!-50;50;!50;' char *xstring = (char*)malloc(xlength+1); memset(xstring, '.', xlength); xstring[xlength] = 0; sec_assert(error == 0); error = 0; while (!error) { const char *semi = strchr(foldedHelices, ';'); if (!semi) break; char *taggedHelixNr = GB_strpartdup(foldedHelices, semi-1); const char *helixNr = 0; long xpos = -1; if (taggedHelixNr[0] == '!') { // position behind end of helix helixNr = taggedHelixNr+1; xpos = helix->last_position(helixNr); if (xpos >= 0) ++xpos; } else { // position at start of helix helixNr = taggedHelixNr; xpos = helix->first_position(helixNr); } if (xpos == -1) { error = GBS_global_string("Can't find helix '%s'", helixNr); } else { sec_assert(xpos >= 0 && size_t(xpos) < xlength); xstring[xpos] = 'x'; } free(taggedHelixNr); foldedHelices = semi+1; } return xstring; } // ------------------------------------------------------------------------ // xstring was made helix-relative, when saved to old version file // ------------------------------------------------------------------------ char *old_decode_xstring_rel_helix(GB_CSTR rel_helix, size_t xlength, const BI_helix *helix, int *no_of_helices_ptr) { const char *start_helix_nr = 0; int no_of_helices = 0; int start_helix = 0; int end_helix = -1; int rel_pos = 0; size_t lastpos = helix->size()-1; char *x_buffer = (char*)malloc(xlength+1); memset(x_buffer, '.', xlength); x_buffer[xlength] = 0; for (size_t pos=0; ; pos++) { const char *helix_nr = 0; BI_PAIR_TYPE pairType = helix->pairtype(pos); if (pairType!=HELIX_NONE) { helix_nr = helix->helixNr(pos); if (helix_nr==start_helix_nr) { // same helix as last end_helix = pos; } else { // new helix nr if (start_helix_nr) { // not first helix -> write last to xstring insert_helix: helix_nr = helix->helixNr(pos); // re-init (needed in case of goto insert_helix) char flag = rel_helix[rel_pos++]; no_of_helices++; if (flag=='1') { sec_assert(end_helix!=-1); sec_assert(size_t(start_helix) #include "SEC_root.hxx" #include "SEC_iter.hxx" using namespace std; void SEC_region::generate_x_string(XString& x_string) { x_string.addXpair(get_sequence_start(), get_sequence_end()); } void SEC_root::generate_x_string(void) { sec_assert(!xString); xString = new XString(db->length()); for (SEC_base_part_iterator part(this); part; ++part) { part->get_region()->generate_x_string(*xString); } xString->initialize(); } SEC_helix_strand * SEC_segment::get_previous_strand(void) { SEC_helix_strand *strand_pointer = next_helix_strand; SEC_segment *segment_pointer = strand_pointer->get_next_segment(); while (segment_pointer != this) { strand_pointer = segment_pointer->get_next_strand(); segment_pointer = strand_pointer->get_next_segment(); } return strand_pointer; } inline void do_indent(ostream& out, int indent) { for (int i=0; isave(out, indent, x_string); } void SEC_region::save(ostream & out, int indent, const XString& x_string) { int x_count_start = x_string.getXleftOf(sequence_start); int x_count_end = x_string.getXleftOf(sequence_end); do_indent(out, indent); out << "SEQ=" << x_count_start << ":" << x_count_end << "\n"; } void SEC_helix::save(ostream & out, int indent, const XString& x_string) { Block b("STRAND", out, indent); strandToOutside()->get_region()->save(out, indent, x_string); do_indent(out, indent); out << "REL=" << get_rel_angle().radian() << "\n"; do_indent(out, indent); out << "LENGTH=" << minSize() << ":" << maxSize() << "\n";; outsideLoop()->save(out, indent, x_string); strandToRoot()->get_region()->save(out, indent, x_string); } void SEC_loop::save(ostream & out, int indent, const XString& x_string) { Block b("LOOP", out, indent); do_indent(out, indent); out << "RADIUS=" << minSize() << ":" << maxSize() << "\n"; do_indent(out, indent); out << "REL=" << get_rel_angle().radian() << "\n"; SEC_helix *primary = get_fixpoint_helix(); bool root_loop = is_root_loop(); for (SEC_strand_iterator strand(this); strand; ++strand) { SEC_helix *helix = strand->get_helix(); if (helix != primary || root_loop) helix->save(out, indent, x_string); strand->get_next_segment()->save(out, indent, x_string); } } char *SEC_root::buildStructureString(void) { delete xString; xString = 0; if (db->canDisplay()) generate_x_string(); ostringstream out; out << "VERSION=" << DATA_VERSION << "\n"; get_root_loop()->save(out, 0, *xString); out << '\0'; const string& outstr = out.str(); char *result = new char[outstr.length()+1]; strcpy(result, outstr.c_str()); return result; } ./arbsrc_9167/SECEDIT/SEC_iter.hxx0000644012664100000130000001147511440743001016407 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_iter.hxx // // Purpose : secondary structure iterators // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SEC_ITER_HXX #define SEC_ITER_HXX // iterates over all parts of the structure (segments/strands) class SEC_base_part_iterator { SEC_base_part *start; SEC_base_part *curr; public: SEC_base_part_iterator(SEC_root *root) : start(root->get_root_loop()->get_fixpoint_strand()), curr(start) {} SEC_base_part& operator*() { return *curr; } SEC_base_part* operator->() { return curr; } SEC_base_part_iterator& operator++() { if (curr) { curr = curr->next(); if (curr == start) curr = 0; } return *this; } operator bool() const { return curr != 0; } }; // iterates over all bases of the structure (loops/helices) class SEC_base_iterator { SEC_base_part_iterator part; // always points to an outgoing strand bool do_loop; // true -> curr is origin loop, false -> curr is helix SEC_base *curr() { SEC_helix_strand& strand = static_cast(*part); return do_loop ? static_cast(strand.get_origin_loop()) : static_cast(strand.get_helix()); } public: SEC_base_iterator(SEC_root *root) : part(root), do_loop(true) {} SEC_base& operator*() { return *curr(); } SEC_base* operator->() { return curr(); } SEC_base_iterator& operator++() { if (part) { if (do_loop) do_loop = false; else { // skip over all strands pointing to root int steps = 0; do { ++++part; ++steps; } while (part && static_cast(*part).pointsToRoot()); do_loop = (steps == 1); } } return *this; } operator bool() const { return part; } }; // iterates over all strands in one loop (starting with fixpoint strand) class SEC_strand_iterator { SEC_helix_strand *start; SEC_helix_strand *curr; public: SEC_strand_iterator(SEC_loop *loop) : start(loop->get_fixpoint_strand()), curr(start) {} SEC_helix_strand& operator*() { return *curr; } SEC_helix_strand* operator->() { return curr; } SEC_strand_iterator& operator++() { sec_assert(curr); SEC_segment *seg = curr->get_next_segment(); if (seg) { curr = seg->get_next_strand(); if (curr == start) curr = 0; } else { curr = 0; } return *this; } operator bool() const { return curr != 0; } }; // iterates over all segments in one loop (starting with segment behind fixpoint strand) class SEC_segment_iterator : private SEC_strand_iterator { const SEC_strand_iterator& strand_iter() const { return static_cast(*this); } SEC_strand_iterator& strand_iter() { return static_cast(*this); } public: SEC_segment_iterator(SEC_loop *loop) : SEC_strand_iterator(loop) {} SEC_segment& operator*() { return *strand_iter()->get_next_segment(); } SEC_segment* operator->() { return strand_iter()->get_next_segment(); } SEC_segment_iterator& operator++() { SEC_strand_iterator& si = strand_iter(); ++si; return *this; } operator bool() const { return strand_iter(); } SEC_helix_strand *get_previous_strand() { return &*strand_iter(); } }; // const versions class SEC_strand_const_iterator : private SEC_strand_iterator { const SEC_strand_iterator& strand_iter() const { return static_cast(*this); } SEC_strand_iterator& strand_iter() { return static_cast(*this); } public: SEC_strand_const_iterator(const SEC_loop *loop) : SEC_strand_iterator(const_cast(loop)) {} const SEC_helix_strand& operator*() { return *strand_iter(); } const SEC_helix_strand* operator->() { return strand_iter().operator->(); } SEC_strand_const_iterator& operator++() { return static_cast(++strand_iter()); } operator bool() const { return bool(strand_iter()); } }; #else #error SEC_iter.hxx included twice #endif // SEC_ITER_HXX ./arbsrc_9167/SECEDIT/SEC_layout.cxx0000644012664100000130000002476311440743001016760 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_layout.cxx // // Purpose : layout size and positions of structure // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include "SEC_root.hxx" #include "SEC_iter.hxx" using namespace std; const Angle& SEC_oriented::calc_abs_angle() const { sec_assert(!abs_angle_valid); const SEC_base *previous = parent(); if (previous) { #if defined(DEBUG) static int avoid_deep_recursion = 0; avoid_deep_recursion++; sec_assert(avoid_deep_recursion<1000); // looks like a bug #endif // DEBUG abs_angle = previous->get_abs_angle()+rel_angle; #if defined(DEBUG) avoid_deep_recursion--; #endif // DEBUG } else { // no parent = root loop abs_angle = rel_angle; } abs_angle_valid = true; return abs_angle; } const Angle& SEC_oriented::calc_rel_angle() { const SEC_base *previous = parent(); if (previous) { rel_angle = abs_angle - previous->get_abs_angle(); } else { rel_angle = abs_angle; } abs_angle_valid = true; return rel_angle; } // ------------------------------------ // calculate size of structure // ------------------------------------ void SEC_segment::calculate_segment_size() { alpha = ((get_region()->get_base_count()+1) / loop->get_circumferance()) * (2*M_PI); } void SEC_loop::compute_circumferance(void) { // Calculates the circumferance of the loop by counting the bases of the loop SEC_root *sroot = get_root(); double dbs = sroot->display_params().distance_between_strands; Circumferance = 0; for (SEC_segment_iterator seg(this); seg; ++seg) { SEC_region *reg = seg->get_region(); reg->update_base_count(sroot); Circumferance += reg->get_base_count() + 1 + dbs; } } void SEC_loop::compute_radius(void) { compute_circumferance(); setStandardSize(Circumferance / (2 * M_PI)); } void SEC_loop::calculate_loop_size() { compute_radius(); for (SEC_segment_iterator seg(this); seg; ++seg) { seg->calculate_segment_size(); SEC_helix_strand *strand = seg->get_next_strand(); if (strand->isRootsideFixpoint()) { // for all strands pointing away from loop strand->get_helix()->calculate_helix_size(); } } } void SEC_helix::calculate_helix_size() { SEC_region *reg1 = strandToRoot()->get_region(); SEC_region *reg2 = strandToOutside()->get_region(); SEC_root *sroot = get_root(); reg1->update_base_count(sroot); reg2->update_base_count(sroot); reg1->align_helix_strands(sroot, reg2); // aligns both strands base_length = max(reg1->get_base_count(), reg2->get_base_count()); if (base_length == 0) { #if defined(DEBUG) printf("Helix w/o size faking length=1\n"); #endif // DEBUG base_length = 1; } setStandardSize(base_length-1); strandToRoot()->get_origin_loop()->calculate_loop_size(); } void SEC_root::calculate_size() { SEC_loop *rootLoop = get_root_loop(); if (rootLoop) rootLoop->calculate_loop_size(); } // ------------------------------------------- // calculate coordinates of structure // ------------------------------------------- void SEC_segment::calculate_segment_coordinates(const Position& start, const Position& end) { // start is rightAttach of previous strand, end is leftAttach of next strand. // both strands are already correct. const Position& loopCenter = loop->get_center(); Vector start_center(start, loopCenter); Vector end_center(end, loopCenter); double radius = loop->drawnSize(); start_center.normalize() *= radius; end_center.normalize() *= radius; center1 = start+start_center; center2 = end+end_center; } void SEC_loop::calculate_loop_coordinates() { // assumes the fixpoint helix and loop-center are correct SEC_helix *fixpoint_helix = get_fixpoint_helix(); SEC_helix_strand *strand_away = fixpoint_helix->strandAwayFrom(this); const Position& loop_fixpoint = strand_away->get_fixpoint(); Angle current(center, loop_fixpoint); double dbs = get_root()->display_params().distance_between_strands; double angle_between_strands = ( dbs / Circumferance) * (2*M_PI); //angle between two strands SEC_segment *seg = strand_away->get_next_segment(); SEC_helix_strand *pstrand = strand_away; #if defined(DEBUG) static int avoid_deep_recursion = 0; avoid_deep_recursion++; sec_assert(avoid_deep_recursion<500); // structure with more than 500 loops ? Sure ? #endif // DEBUG while (seg) { SEC_helix_strand *strand = seg->get_next_strand(); SEC_segment *next_seg = 0; if (strand != strand_away) { current += seg->get_alpha()+angle_between_strands; strand->setFixpoint(center + current.normal()*drawnSize()); strand->get_helix()->calculate_helix_coordinates(); next_seg = strand->get_next_segment(); } seg->calculate_segment_coordinates(pstrand->rightAttachPoint(), strand->leftAttachPoint()); pstrand = strand; seg = next_seg; } #if defined(DEBUG) avoid_deep_recursion--; #endif // DEBUG } void SEC_helix::calculate_helix_coordinates() { // assumes the rootside fixpoint and the rootside loop-center are correct SEC_helix_strand *strand1 = strandToOutside(); const Position& fix1 = strand1->get_fixpoint(); const Angle& loopAngle = strand1->get_origin_loop()->get_abs_angle(); Angle strandAngle = loopAngle+get_rel_angle(); Position fix2 = fix1 + strandAngle.normal()*drawnSize(); SEC_helix_strand *strand2 = strand1->get_other_strand(); strand2->setFixpoint(fix2); // calculate attachment points double dbs = get_root()->display_params().distance_between_strands; Vector fix1_rAttach = strandAngle.normal() * (dbs * 0.5); fix1_rAttach.rotate90deg(); strand1->setAttachPoints(fix1-fix1_rAttach, fix1+fix1_rAttach); strand2->setAttachPoints(fix2+fix1_rAttach, fix2-fix1_rAttach); // calculate loop-center of outside loop SEC_loop *nextLoop = outsideLoop(); Angle fix2_center = strandAngle + nextLoop->get_rel_angle(); Position loopCenter = fix2 + fix2_center.normal()*nextLoop->drawnSize(); nextLoop->set_center(loopCenter); nextLoop->calculate_loop_coordinates(); } void SEC_root::calculate_coordinates() { SEC_loop *rootLoop = get_root_loop(); if (rootLoop) { rootLoop->set_center(Origin); rootLoop->mark_angle_absolute(); // mark angle as absolute SEC_helix *primary_helix = rootLoop->get_fixpoint_helix(); // calculate the coordinates of the primary helix const Angle& loopAngle = rootLoop->get_abs_angle(); Position rootside = Origin + loopAngle.normal() * rootLoop->drawnSize(); Position outside = rootside + Angle(loopAngle + primary_helix->get_abs_angle()).normal() * primary_helix->drawnSize(); primary_helix->setFixpoints(rootside, outside); primary_helix->calculate_helix_coordinates(); rootLoop->calculate_loop_coordinates(); // does not calculate for the primary helix } } // --------------------------- // angle invalidation // --------------------------- void SEC_oriented::invalidate() { if (abs_angle_valid) { // skip recursion if already invalidated invalidate_sub_angles(); abs_angle_valid = false; } } void SEC_helix::invalidate_sub_angles() { SEC_loop *outLoop = outsideLoop(); // does not exist during read if (outLoop) { outLoop->invalidate(); } else { sec_assert(get_root()->under_construction()); // loop missing and structure } } void SEC_loop::invalidate_sub_angles() { for (SEC_strand_iterator strand(this); strand; ++strand) { if (strand->isRootsideFixpoint()) { // outgoing strand strand->get_helix()->invalidate(); } } } // -------------------- // count bases // -------------------- void SEC_region::invalidate_base_count() { delete [] abspos_array; abspos_array = 0; #if defined(DEBUG) abspos_array_size = 0; #endif // DEBUG baseCount = -1; } void SEC_region::create_abspos_array(const int *static_array) { sec_assert(abspos_array == 0); sec_assert(baseCount >= 0); if (baseCount>0) { abspos_array = new int[baseCount]; memcpy(abspos_array, static_array, baseCount*sizeof(*static_array)); } #if defined(DEBUG) abspos_array_size = baseCount; #endif // DEBUG } void SEC_region::count_bases(SEC_root *root) { invalidate_base_count(); bool is_endings_seg = false; int max_index = root->max_index(); sec_assert(sequence_start <= max_index); sec_assert(sequence_end <= (max_index+1)); int size; int last; if (sequence_end < sequence_start) { // if this is the "endings-segment" size = (max_index - sequence_start + 1) + sequence_end; last = max_index; is_endings_seg = true; } else { size = sequence_end - sequence_start; last = sequence_end-1; } sec_assert(root->get_db()->canDisplay()); static int *static_array = NULL; static int sizeof_static_array = 0; if (size > sizeof_static_array) { delete [] static_array; static_array = new int[size]; sizeof_static_array = size; } baseCount = 0; int i; for (i = sequence_start; i <= last; ++i) { if (root->shallDisplayPosition(i)) { sec_assert(baseCount < size); static_array[baseCount++] = i; } } if (is_endings_seg) { for (i = 0; i < sequence_end; ++i) { if (root->shallDisplayPosition(i)) { sec_assert(baseCount < size); static_array[baseCount++] = i; } } } sec_assert(baseCount <= size); create_abspos_array(static_array); sec_assert(baseCount <= size); } ./arbsrc_9167/SECEDIT/SEC_main.cxx0000644012664100000130000007120111440743001016354 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_main.cxx // // Purpose : main part of SECEDIT // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include #include #include #include #include #include #include #include #include "SEC_root.hxx" #include "SEC_graphic.hxx" #include "SEC_helix.hxx" #include "SEC_drawn_pos.hxx" #include "SEC_toggle.hxx" #ifndef sec_assert // happens in NDEBUG mode #define sec_assert(cond) arb_assert(cond) #endif void SEC_root::invalidate_base_positions() { if (root_loop) { SEC_base_part *start_part = root_loop->get_fixpoint_strand(); SEC_base_part *part = start_part; do { part->get_region()->invalidate_base_count(); part = part->next(); } while (part != start_part); } } // ----------------------------------------------------- // auto-scrolling (triggered by structure self) // ----------------------------------------------------- void SEC_root::nail_position(size_t absPos) { if (drawnPositions) { nailedAbsPos = absPos; drawnAbsPos = *drawnPositions->drawn_at(absPos); } } void SEC_root::nail_cursor() { // re-position on cursor if (cursorAbsPos >= 0) { if (drawnPositions && !drawnPositions->empty()) { size_t abs; drawnAbsPos = drawnPositions->drawn_after(cursorAbsPos-1, &abs); nailedAbsPos = abs; } } } void SEC_root::add_autoscroll(const Vector& scroll) { if (autoscroll) *autoscroll += scroll; else autoscroll = new Vector(scroll); } bool SEC_root::perform_autoscroll() { bool scrolled = false; AWT_canvas *canvas = db->canvas(); if (canvas && (nailedAbsPos != -1 || autoscroll)) { AW_device *device = canvas->aww->get_device(AW_MIDDLE_AREA); if (nailedAbsPos != -1) { { int absPos = nailedAbsPos; Vector *scroll = autoscroll; // avoid endless recursion: nailedAbsPos = -1; autoscroll = 0; #warning make the refresh invisible canvas->refresh(); nailedAbsPos = absPos; autoscroll = scroll; } const Position *newPos = drawnPositions->drawn_at(nailedAbsPos); if (newPos) { Vector old2new(drawnAbsPos, *newPos); #if defined(DEBUG) && 0 printf("drawnAbsPos=%.2f/%.2f newPos=%.2f/%.2f old2new=%.2f/%.2f\n", drawnAbsPos.xpos(), drawnAbsPos.ypos(), newPos->xpos(), newPos->ypos(), old2new.x(), old2new.y()); #endif // DEBUG add_autoscroll(old2new); } nailedAbsPos = -1; } if (autoscroll) { canvas->init_device(device); // loads correct zoom Vector screen_scroll = device->transform(*autoscroll); #if defined(DEBUG) && 0 printf("autoscroll=%.2f/%.2f screen_scroll=%.2f/%.2f\n", autoscroll->x(), autoscroll->y(), screen_scroll.x(), screen_scroll.y()); #endif // DEBUG delete autoscroll; autoscroll = 0; device->clear(-1); canvas->scroll(NULL, screen_scroll, false); scrolled = true; } } return scrolled; } // -------------------------------------------------------------------------------- void SEC_root::position_cursor(bool toCenter, bool evenIfVisible) { // centers the cursor in display (or scrolls it into view) // if 'evenIfVisible' is true, always do it, otherwise only if not fully visible const LineVector& cursorLine = get_last_drawed_cursor_position(); sec_assert(cursorLine.valid()); AWT_canvas *ntw = db->canvas(); AW_device *device = ntw->aww->get_device(AW_MIDDLE_AREA); Rectangle cursor(device->transform(cursorLine)); Rectangle screen = device->get_area_size(); if (evenIfVisible || !screen.contains(cursor)) { if (!toCenter) { if (perform_autoscroll()) { cursor = Rectangle(device->transform(cursorLine)); if (!screen.contains(cursor)) { toCenter = true; } } else { // if autoscroll didn't work toCenter = true; // center cursor } } if (toCenter) { Vector scroll(cursor.centroid(), screen.centroid()); #if defined(DEBUG) && 1 printf("Auto-scroll: scroll = (%f, %f) [Center cursor]\n", scroll.x(), scroll.y()); #endif ntw->scroll(NULL, -scroll, false); ntw->refresh(); } } } void SEC_toggle_cb(AW_window *, AW_CL cl_secroot, AW_CL) { SEC_root *root = (SEC_root*)cl_secroot; const SEC_db_interface *db = root->get_db(); GB_ERROR error = db->structure()->next(); if (error) aw_message(error); db->canvas()->refresh(); } void SEC_center_cb(AW_window *, AW_CL cl_secroot, AW_CL) { SEC_root *root = (SEC_root*)cl_secroot; root->position_cursor(true, true); } static void SEC_fit_window_cb(AW_window */*aw*/, AW_CL cl_secroot, AW_CL) { SEC_root *root = (SEC_root*)cl_secroot; const SEC_db_interface *db = root->get_db(); db->graphic()->request_update(SEC_UPDATE_ZOOM_RESET); db->canvas()->refresh(); } static void sec_mode_event(AW_window *aws, AW_CL cl_secroot, AW_CL cl_mode) { SEC_root *sec_root = (SEC_root*)cl_secroot; AWT_COMMAND_MODE mode = (AWT_COMMAND_MODE)cl_mode; // SEC_root *sec_root = SEC_GRAPHIC->sec_root; const char *text = 0; sec_root->set_show_constraints(SEC_NO_TYPE); switch(mode){ case AWT_MODE_ZOOM: { text="ZOOM MODE : CLICK or SELECT an area to ZOOM IN (LEFT) or ZOOM OUT (RIGHT) "; break; } case AWT_MODE_MOVE: { text="HELIX MODE LEFT: build helix RIGHT: remove helix"; break; } case AWT_MODE_SETROOT: { text="SET ROOT MODE LEFT: Set logical center of structure RIGHT: Reset angles on sub-structure"; break; } case AWT_MODE_ROT: { text="ROTATE MODE LEFT: Rotate helix/loop RIGHT: w/o substructure"; break; } case AWT_MODE_STRETCH: { text="STRETCH MODE : LEFT-CLICK & DRAG: stretch HELICES and LOOPS RIGHT: Reset"; sec_root->set_show_constraints(SEC_ANY_TYPE); break; } case AWT_MODE_MOD: { text="CONSTRAINT MODE LEFT: modify constraint"; sec_root->set_show_constraints(SEC_ANY_TYPE); break; } case AWT_MODE_LINE: { text="SET CURSOR MODE LEFT: Set Cursor in ARB_EDIT4"; break; } case AWT_MODE_PROINFO: { text="PROBE INFO MODE LEFT: Displays PROBE information RIGHT: Clears the Display"; break; } default: { #if defined(DEBUG) sec_assert(0); #endif // DEBUG break; } } sec_assert(strlen(text) < AWAR_FOOTER_MAX_LEN); // text too long! aws->get_root()->awar(AWAR_FOOTER)->write_string(text); AWT_canvas *ntw = sec_root->get_db()->canvas(); ntw->set_mode(mode); ntw->refresh(); } void SEC_undo_cb(AW_window *, AW_CL cl_db, AW_CL cl_undo_type) { SEC_db_interface *db = (SEC_db_interface*)cl_db; GB_UNDO_TYPE undo_type = (GB_UNDO_TYPE)cl_undo_type; GBDATA *gb_main = db->gbmain(); GB_ERROR error = GB_undo(gb_main, undo_type); if (error) { aw_message(error); } else{ GB_begin_transaction(gb_main); GB_commit_transaction(gb_main); db->canvas()->refresh(); } } // -------------------------------------------------------------------------------- #define ASS "ARB secondary structure v1" // dont change version here! #define ASS_START "["ASS"]" #define ASS_EOS "[end of structure]" #define ASS_EOF "[end of "ASS"]" static void export_structure_to_file(AW_window *, AW_CL cl_db) { SEC_db_interface *db = (SEC_db_interface*)cl_db; AW_root *aw_root = db->awroot(); char *filename = aw_root->awar(AWAR_SECEDIT_SAVEDIR"/file_name")->read_string(); FILE *out = fopen(filename, "wt"); GB_ERROR error = 0; if (out) { SEC_root *sec_root = db->secroot(); fputs(ASS_START, out); fputc('\n', out); char *strct = sec_root->buildStructureString(); fputs(strct, out); delete [] strct; fputs(ASS_EOS, out); fputc('\n', out); const XString& xstr = sec_root->get_xString(); const char *x_string = xstr.get_x_string(); sec_assert(xstr.get_x_string_length() == strlen(x_string)); char *foldInfo = SEC_xstring_to_foldedHelixList(x_string, xstr.get_x_string_length(), sec_root->get_helixDef()); fprintf(out, "foldedHelices=%s\n", foldInfo); free(foldInfo); fputs(ASS_EOF, out); fputc('\n', out); fclose(out); } else { error = GB_export_errorf("Can't write secondary structure to '%s'", filename); } if (error) aw_popup_ok(error); } inline GB_ERROR expectedError(const char *expected) { return GBS_global_string("expected '%s'", expected); } inline GB_ERROR expectContent(FileBuffer& file, const char *expected) { GB_ERROR error = 0; string line; if (!file.getLine(line) || line != expected) { error = expectedError(expected); } return error; } static string scanToken(FileBuffer& file, string& rest, GB_ERROR& error) { string line; string token; sec_assert(error == 0); if (file.getLine(line)) { size_t equal = line.find('='); if (equal == string::npos) { error = "Expected '='"; } else { token = line.substr(0, equal); rest = line.substr(equal+1); } } else { error = "Unexpected EOF"; } return token; } static GB_ERROR expectToken(FileBuffer& file, const char *token, string& content) { GB_ERROR error = 0; string foundToken = scanToken(file, content, error); if (foundToken != token) error = expectedError(token); return error; } static void import_structure_from_file(AW_window *, AW_CL cl_db) { GB_ERROR error = 0; SEC_db_interface *db = (SEC_db_interface*)cl_db; SEC_root *root = db->secroot(); if (!root->has_xString()) { error = "Please select a species in EDIT4"; } else { char *filename = db->awroot()->awar(AWAR_SECEDIT_SAVEDIR"/file_name")->read_string(); FILE *in = fopen(filename, "rt"); // closed by FileBuffer if (!in) { error = GB_export_errorf("Can't open file '%s'", filename); } else { FileBuffer file(filename, in); error = expectContent(file, ASS_START); string structure; while (!error) { string line; if (!file.getLine(line)) error = expectedError(ASS_EOS); else { if (line == ASS_EOS) break; structure += line + "\n"; } } char *x_string = 0; if (!error) { string content; string token = scanToken(file, content, error); if (!error) { // we already have an existing xstring, use it's length for new xstring size_t xlength = root->get_xString().getLength(); if (token == "foldedHelices") { // new version x_string = SEC_foldedHelixList_to_xstring(content.c_str(), xlength, root->get_helixDef(), error); // sets error } else if (token == "no of helices") { // old version int saved_helices = atoi(content.c_str()); error = expectToken(file, "length of xstring", content); // ignore, using curr value if (!error) error = expectToken(file, "xstring_rel_helix", content); if (!error) { int helices_in_db; x_string = old_decode_xstring_rel_helix(content.c_str(), xlength, root->get_helixDef(), &helices_in_db); if (helices_in_db != saved_helices) { error = GBS_global_string("Number of helices does not match (file=%i, db=%i).\n" "Saving the structure again from another DB with correct number of helices will work around this restriction.", saved_helices, helices_in_db); } } } else { error = "Expected 'foldedHelices' or 'no of helices'"; } } if (!error) error = expectContent(file, ASS_EOF); } if (error) { error = GBS_global_string("%s", file.lineError(error).c_str()); } else { db->graphic()->write_data_to_db(structure.c_str(), x_string); db->canvas()->refresh(); } free(x_string); } free(filename); } if (error) aw_popup_ok(error); } #undef ASS #undef ASS_START #undef ASS_EOS #undef ASS_EOF static AW_window *SEC_importExport(AW_root *root, int export_to_file, SEC_db_interface *db) { AW_window_simple *aws = new AW_window_simple; if (export_to_file) aws->init(root, "export_secondary_structure", "Export secondary structure to ..."); else aws->init(root, "import_secondary_structure", "Import secondary structure from ..."); aws->load_xfig("sec_imexport.fig"); aws->at("close"); aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("help"); aws->callback( AW_POPUP_HELP, (AW_CL)"sec_imexport.hlp"); aws->create_button("HELP","HELP","H"); awt_create_selection_box((AW_window *)aws, AWAR_SECEDIT_SAVEDIR); aws->at("save"); if (export_to_file) { aws->callback(export_structure_to_file, (AW_CL)db); aws->create_button("EXPORT","EXPORT","E"); } else { aws->callback(import_structure_from_file, (AW_CL)db); aws->create_button("IMPORT","IMPORT","I"); } return aws; } static AW_window *SEC_import(AW_root *root, AW_CL cl_db) { return SEC_importExport(root, 0, (SEC_db_interface*)cl_db); } static AW_window *SEC_export(AW_root *root, AW_CL cl_db) { return SEC_importExport(root, 1, (SEC_db_interface*)cl_db); } static void SEC_rename_structure(AW_window *, AW_CL cl_db, AW_CL) { SEC_db_interface *db = (SEC_db_interface*)cl_db; SEC_structure_toggler *structure = db->structure(); char *new_name = aw_input("Rename structure", "New name", structure->name()); if (new_name) { structure->setName(new_name); free(new_name); db->canvas()->refresh(); } } static void SEC_new_structure(AW_window *, AW_CL cl_db, AW_CL) { SEC_db_interface *db = (SEC_db_interface*)cl_db; SEC_structure_toggler *structure = db->structure(); if (!structure) { db->init_toggler(); structure = db->structure(); sec_assert(structure); } GB_ERROR error = 0; bool done = false; switch (aw_question("Create new structure?", "Default bone,Copy current,Abort")) { case 0: // default bone error = structure->copyTo("Default"); if (!error) { db->secroot()->create_default_bone(); db->graphic()->save(0, 0, 0, 0); done = true; } break; case 1: // copy current error = structure->copyTo(GBS_global_string("%s(copy)", structure->name())); done = !error; break; case 2: // abort break; } if (done) { db->graphic()->request_update(SEC_UPDATE_ZOOM_RESET); db->canvas()->refresh(); SEC_rename_structure(0, cl_db, 0); } } static void SEC_delete_structure(AW_window *, AW_CL cl_db, AW_CL) { SEC_db_interface *db = (SEC_db_interface*)cl_db; SEC_structure_toggler *structure = db->structure(); if (structure->getCount()>1) { if (aw_ask_sure(GBS_global_string("Are you sure to delete structure '%s'?", structure->name()))) { GB_ERROR error = structure->remove(); if (error) aw_message(error); db->canvas()->refresh(); } } else { aw_message("You cannot delete the last structure"); } } static void SEC_sync_colors(AW_window *aww, AW_CL cl_mode, AW_CL) { // overwrites color settings with those from EDIT4 int mode = (int)cl_mode; if (mode & 1) { // search string colors AW_copy_GCs(aww->get_root(), "ARB_EDIT4", "ARB_SECEDIT", false, "User1", "User2", "Probe", "Primerl", "Primerr", "Primerg", "Sigl", "Sigr", "Sigg", "MISMATCHES", NULL); } if (mode & 2) { // range colors AW_copy_GCs(aww->get_root(), "ARB_EDIT4", "ARB_SECEDIT", false, "RANGE_0", "RANGE_1", "RANGE_2", "RANGE_3", "RANGE_4", "RANGE_5", "RANGE_6", "RANGE_7", "RANGE_8", "RANGE_9", NULL); } if (mode & 4) { // other colors AW_copy_GCs(aww->get_root(), "ARB_EDIT4", "ARB_SECEDIT", false, "CURSOR", NULL); } } static AW_window *SEC_create_bonddef_window(AW_root *awr) { AW_window_simple *aws = new AW_window_simple; aws->init(awr, "SEC_BONDDEF", "Bond definitions"); aws->load_xfig("sec_bonddef.fig"); aws->callback((AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE", "C"); aws->callback( AW_POPUP_HELP,(AW_CL)"sec_bonddef.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); aws->at("label"); int x_label = aws->get_at_xposition(); aws->at("pairs"); int x_pairs = aws->get_at_xposition(); aws->at("chars"); int x_chars = aws->get_at_xposition(); aws->auto_space(0, 0); #define INSERT_PAIR_FIELDS(label, pairname) \ aws->at_x(x_label); \ aws->create_button("", label); \ aws->at_x(x_pairs); \ aws->create_input_field(AWAR_SECEDIT_##pairname##_PAIRS, 30); \ aws->at_x(x_chars); \ aws->create_input_field(AWAR_SECEDIT_##pairname##_PAIR_CHAR, 1); \ aws->at_newline(); INSERT_PAIR_FIELDS("Strong pairs", STRONG); INSERT_PAIR_FIELDS("Normal pairs", NORMAL); INSERT_PAIR_FIELDS("Weak pairs", WEAK); INSERT_PAIR_FIELDS("No pairs", NO); INSERT_PAIR_FIELDS("User pairs", USER); #undef INSERT_PAIR_FIELDS return aws; } static AW_window *SEC_create_display_window(AW_root *awr) { AW_window_simple *aws = new AW_window_simple; aws->init(awr, "SEC_DISPLAY_OPTS", "Display options"); aws->load_xfig("sec_display.fig"); aws->callback((AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE", "C"); aws->callback( AW_POPUP_HELP,(AW_CL)"sec_display.hlp"); aws->at("help"); aws->create_button("HELP","HELP","H"); // ---------------------------------------- aws->at("bases"); aws->label("Display bases :"); aws->create_inverse_toggle(AWAR_SECEDIT_HIDE_BASES); aws->at("strand_dist"); aws->label("Distance between strands :"); aws->create_input_field(AWAR_SECEDIT_DIST_BETW_STRANDS); aws->at("bonds"); aws->label("Display bonds"); aws->create_option_menu(AWAR_SECEDIT_SHOW_BONDS); aws->insert_option("None", "n", SHOW_NO_BONDS); aws->insert_option("Helix", "h", SHOW_HELIX_BONDS); aws->insert_option("+Non-helix", "o", SHOW_NHELIX_BONDS); aws->update_option_menu(); aws->at("bonddef"); aws->callback(AW_POPUP, (AW_CL)SEC_create_bonddef_window, 0); aws->create_button("sec_bonddef", "Define", 0); aws->at("bondThickness"); aws->label("Bond thickness :"); aws->create_input_field(AWAR_SECEDIT_BOND_THICKNESS); // ---------------------------------------- aws->at("cursor"); aws->label("Annotate cursor :"); aws->create_option_menu(AWAR_SECEDIT_SHOW_CURPOS); aws->insert_option("None", "n", SHOW_NO_CURPOS); aws->insert_option("Absolute", "a", SHOW_ABS_CURPOS); aws->insert_option("Ecoli", "e", SHOW_ECOLI_CURPOS); aws->insert_option("Base", "b", SHOW_BASE_CURPOS); aws->update_option_menu(); aws->at("helixNrs"); aws->label("Annotate helices :"); aws->create_toggle(AWAR_SECEDIT_SHOW_HELIX_NRS); aws->at("ecoli"); aws->label("Annotate ecoli positions :"); aws->create_toggle(AWAR_SECEDIT_SHOW_ECOLI_POS); aws->at("search"); aws->label("Visualize search results :"); aws->create_toggle(AWAR_SECEDIT_DISPLAY_SEARCH); aws->at("sai"); aws->label("Visualize SAI :"); aws->create_toggle(AWAR_SECEDIT_DISPLAY_SAI); // ---------------------------------------- aws->at("binding"); aws->label("Binding helix positions :"); aws->create_toggle(AWAR_SECEDIT_DISPPOS_BINDING); aws->at("ecoli2"); aws->label("Ecoli base positions :"); aws->create_toggle(AWAR_SECEDIT_DISPPOS_ECOLI); // ---------------------------------------- aws->at("strSkeleton"); aws->label("Display structure skeleton :"); aws->create_toggle(AWAR_SECEDIT_SHOW_STR_SKELETON); aws->at("skelThickness"); aws->label("Skeleton thickness :"); aws->create_input_field(AWAR_SECEDIT_SKELETON_THICKNESS); #ifdef DEBUG aws->at("show_debug"); aws->label("Show debug info:"); aws->create_toggle(AWAR_SECEDIT_SHOW_DEBUG); #endif return aws; } static void SEC_exit(GBDATA *gb_main, void *cl_sec_root) { SEC_root *sec_root = static_cast(cl_sec_root); delete sec_root; } AW_window *SEC_create_main_window(AW_root *awr, GBDATA *gb_main) { SEC_graphic *gfx = new SEC_graphic(awr, gb_main); // never freed SEC_root *root = gfx->sec_root; AW_window_menu_modes *awm = new AW_window_menu_modes(); awm->init(awr,"ARB_SECEDIT", "ARB_SECEDIT: Secondary structure editor", 200,200); AW_gc_manager aw_gc_manager; AWT_canvas *ntw = new AWT_canvas(gb_main, awm, gfx, aw_gc_manager, AWAR_SPECIES_NAME); root->init(gfx, ntw); ntw->recalc_size(); ntw->set_mode(AWT_MODE_ZOOM); // Default-Mode const SEC_db_interface *db = root->get_db(); GB_atclose(gb_main, SEC_exit, root); awm->create_menu("File", "F", "secedit_file.hlp", AWM_ALL ); awm->insert_menu_topic("secedit_new", "New structure", "N", 0, AWM_ALL, SEC_new_structure, (AW_CL)db, 0); awm->insert_menu_topic("secedit_rename", "Rename structure", "R", 0, AWM_ALL, SEC_rename_structure, (AW_CL)db, 0); awm->insert_menu_topic("secedit_delete", "Delete structure", "D", 0, AWM_ALL, SEC_delete_structure, (AW_CL)db, 0); awm->insert_separator(); awm->insert_menu_topic("secedit_import", "Load structure", "L", "secedit_imexport.hlp", AWM_ALL, AW_POPUP, (AW_CL)SEC_import, (AW_CL)db); awm->insert_menu_topic("secedit_export", "Save structure", "S", "secedit_imexport.hlp", AWM_ALL, AW_POPUP, (AW_CL)SEC_export, (AW_CL)db); awm->insert_separator(); awm->insert_menu_topic("secStruct2xfig", "Export Structure to XFIG", "X", "sec_layout.hlp", AWM_ALL, AWT_popup_sec_export_window, (AW_CL)ntw, 0); awm->insert_menu_topic("print_secedit", "Print Structure", "P", "secedit2prt.hlp", AWM_ALL, AWT_popup_print_window, (AW_CL)ntw, 0); awm->insert_separator(); awm->insert_menu_topic( "close", "Close", "C","quit.hlp", AWM_ALL, (AW_CB)AW_POPDOWN, 0, 0); awm->create_menu("Properties","P","properties.hlp", AWM_ALL); awm->insert_menu_topic("sec_display", "Display options", "D", "sec_display.hlp", AWM_ALL, AW_POPUP, (AW_CL)SEC_create_display_window, 0); awm->insert_separator(); awm->insert_menu_topic("props_secedit", "Change Colors and Fonts","C","secedit_props_data.hlp",AWM_ALL, AW_POPUP, (AW_CL)AW_create_gc_window, (AW_CL)aw_gc_manager ); awm->insert_separator(); awm->insert_menu_topic("sync_search_colors", "Sync search colors with EDIT4", "s", "sync_colors.hlp", AWM_ALL, SEC_sync_colors, (AW_CL)1, 0); awm->insert_menu_topic("sync_range_colors", "Sync range colors with EDIT4", "r", "sync_colors.hlp", AWM_ALL, SEC_sync_colors, (AW_CL)2, 0); awm->insert_menu_topic("sync_other_colors", "Sync other colors with EDIT4", "o", "sync_colors.hlp", AWM_ALL, SEC_sync_colors, (AW_CL)4, 0); awm->insert_menu_topic("sync_all_colors", "Sync all colors with EDIT4", "a", "sync_colors.hlp", AWM_ALL, SEC_sync_colors, (AW_CL)(1|2|4), 0); awm->insert_separator(); awm->insert_menu_topic("sec_save_props", "How to save properties", "p","savedef.hlp", AWM_ALL, (AW_CB) AW_POPUP_HELP, (AW_CL)"sec_props.hlp", 0 ); awm->create_mode("pzoom.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_ZOOM); awm->create_mode("sec_modify.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_MOVE); awm->create_mode("setroot.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_SETROOT); awm->create_mode("rot.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_ROT); awm->create_mode("stretch.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_STRETCH); awm->create_mode("info.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_MOD); awm->create_mode("sec_setcurs.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_LINE); awm->create_mode("probeInfo.bitmap", "sec_mode.hlp", AWM_ALL, sec_mode_event, (AW_CL)root, (AW_CL)AWT_MODE_PROINFO); awm->set_info_area_height( 250 ); awm->at(5,2); // awm->auto_space(5,-2); awm->auto_space(0,-2); awm->button_length(0); awm->help_text("quit.hlp"); awm->callback((AW_CB0)AW_POPDOWN); awm->create_button("Close", "#quit.xpm"); // use quit button, cause users regard secedit as separate program // awm->callback(AW_POPUP_HELP,(AW_CL)"arb_secedit.hlp"); // awm->button_length(0); // awm->help_text("help.hlp"); // awm->create_button("HELP", "HELP","H"); awm->callback(AW_help_entry_pressed); awm->help_text("arb_secedit.hlp"); // awm->create_button(0,"?"); awm->create_button("HELP","#help.xpm"); awm->callback(SEC_undo_cb,(AW_CL)db,(AW_CL)GB_UNDO_UNDO); awm->help_text("undo.hlp"); awm->create_button("Undo", "#undo.bitmap"); awm->callback(SEC_undo_cb,(AW_CL)db,(AW_CL)GB_UNDO_REDO); awm->help_text("undo.hlp"); awm->create_button("Redo", "#redo.bitmap"); awm->callback(SEC_toggle_cb, (AW_CL)root, 0); awm->help_text("sec_main.hlp"); awm->create_button("Toggle", "Toggle"); awm->callback(SEC_center_cb, (AW_CL)root, 0); awm->help_text("sec_main.hlp"); awm->create_button("Center", "Center"); awm->callback((AW_CB)SEC_fit_window_cb,(AW_CL)root, 0); awm->help_text("sec_main.hlp"); awm->create_button("fitWindow", "Fit"); awm->at_newline(); { AW_at_maxsize maxSize; // store size (so AWAR_FOOTER does not affect min. window size) maxSize.store(awm->_at); awm->button_length(AWAR_FOOTER_MAX_LEN); awm->create_button(0,AWAR_FOOTER); awm->at_newline(); maxSize.restore(awm->_at); } // awm->set_info_area_height(awm->get_at_yposition()+6); awm->set_info_area_height(awm->get_at_yposition()); return awm; } ./arbsrc_9167/SECEDIT/SEC_paint.cxx0000644012664100000130000013546211440743001016555 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include "SEC_root.hxx" #include "SEC_graphic.hxx" #include "SEC_iter.hxx" #include "SEC_drawn_pos.hxx" #include "SEC_bonddef.hxx" #include "SEC_toggle.hxx" using namespace std; // ------------------ // Debugging // ------------------ #if defined(DEBUG) // #define PAINT_REGION_INDEX // // paint region-internal index next to base static bool valid_cb_params(AW_CL cd1, AW_CL cd2) { return cd1 == 0 || cd2 != -1; } static void paintDebugInfo(AW_device *device, int color, const Position& pos, const char *txt, AW_CL cd1, AW_CL cd2) { sec_assert(valid_cb_params(cd1, cd2)); device->circle(color, true, pos.xpos(), pos.ypos(), 0.06, 0.06, -1, cd1, cd2); device->text(SEC_GC_DEFAULT, txt, pos.xpos(), pos.ypos(), 0, 1, cd1, cd2, 0); } static void paintStrandDebugInfo(AW_device *device, int color, SEC_helix_strand *strand) { paintDebugInfo(device, color, strand->rightAttachPoint(), "RAP", strand->self(), strand->rightAttachAbspos()); paintDebugInfo(device, color, strand->leftAttachPoint(), "LAP", strand->self(), strand->leftAttachAbspos()); paintDebugInfo(device, color, strand->get_fixpoint(), strand->isRootsideFixpoint() ? "RFP" : "FP", strand->self(), strand->startAttachAbspos()); } #endif // DEBUG // ------------------ // PaintData // ------------------ class PaintData { int gc_edit4_to_secedit[ED4_G_DRAG+1]; // GC translation table (EDIT4 -> SECEDIT) int line_property_gc[SEC_GC_LAST_DATA+1][SEC_GC_LAST_DATA+1]; // of two GCs, which is responsible for line properties public: PaintData() { int gc; // GC translation (EDIT4->SECEDIT) for (gc = 0; gc <= ED4_G_DRAG; gc++) { gc_edit4_to_secedit[gc] = -1; // invalid } for (gc = ED4_G_SBACK_0; gc <= ED4_G_SBACK_8; gc++) { gc_edit4_to_secedit[gc] = gc-ED4_G_SBACK_0+SEC_GC_SBACK_0; } for (gc = ED4_G_CBACK_0; gc <= ED4_G_CBACK_9; gc++) { gc_edit4_to_secedit[gc] = gc-ED4_G_CBACK_0+SEC_GC_CBACK_0; } // calc line property GCs for (gc = SEC_GC_FIRST_DATA; gc <= SEC_GC_LAST_DATA; gc++) { for (int gc2 = SEC_GC_FIRST_DATA; gc <= SEC_GC_LAST_DATA; gc++) { int prop_gc; if (gc == gc2) { prop_gc = gc; } else { if (gc == SEC_GC_LOOP || gc2 == SEC_GC_LOOP) { prop_gc = SEC_GC_LOOP; // use loop-properties in loop and at loop-helix-transition } else if (gc == SEC_GC_NHELIX || gc2 == SEC_GC_NHELIX) { prop_gc = SEC_GC_NHELIX; // use nhelix-properties in nhelix and at helix-nhelix-transition } else { prop_gc = SEC_GC_HELIX; // use helix-properties in helix } } line_property_gc[gc][gc2] = prop_gc; } } } int convert_BackgroundGC(int edit4_gc) const { // returns -1 if edit4_gc is invalid sec_assert(edit4_gc >= 0 && edit4_gc <= ED4_G_DRAG); return gc_edit4_to_secedit[edit4_gc]; } int get_linePropertyGC(int gc1, int gc2) { // of the GCs of two positions, it returns the GC which is // defining the properties for the background painted inbetween the two positions sec_assert(gc1 >= SEC_GC_FIRST_DATA && gc1 <= SEC_GC_LAST_DATA); sec_assert(gc2 >= SEC_GC_FIRST_DATA && gc2 <= SEC_GC_LAST_DATA); return line_property_gc[gc1][gc2]; } }; static PaintData paintData; // -------------------- // Annotations // -------------------- void SEC_root::paintAnnotation(AW_device *device, int gc, const Position& pos, const Position& left, const Position& right, double noteDistance, const char *text, bool lineToPos, bool linesToLeftRight, bool boxText, AW_CL cd1, AW_CL cd2) { // draw annotation to explicit position 'pos' (annotation is drawn "above" the line left->right) // The distance between pos and note is determined by // * textsize (minimal half textsize/boxsize) and // * the given 'noteDistance' // lineToPos == true -> draw a line from text to 'pos' // linesToLeftRight == true -> draw lines from text to 'left' and 'right' // boxText == true -> draw a box around text sec_assert(valid_cb_params(cd1, cd2)); Vector strand(left, right); Angle pos2note(strand); pos2note.rotate270deg(); int fontgc = gc <= SEC_GC_LAST_FONT ? gc : SEC_GC_DEFAULT; double half_charSize = center_char[fontgc].length(); size_t text_len = strlen(text); // calculate textsize AW_pos half_width = 0.5 * device->rtransform_size(device->get_string_size(gc, text, text_len)); AW_pos half_height = center_char[fontgc].y(); double note_distance = max(half_height, half_width) * (boxText ? 1.3 : 1.0); note_distance = max(note_distance, noteDistance); // Position note_center = pos + pos2note.normal()*(text_len*2*half_charSize); Position note_center = pos + pos2note.normal()*note_distance; if (device->filter & AW_PRINTER) { boxText = false; // don't print/xfig-export boxes } if (lineToPos || linesToLeftRight) { device->set_line_attributes(gc, 1, AW_SOLID); if (lineToPos) { Vector dist = pos2note.normal()*half_charSize; device->line(gc, boxText ? note_center : note_center-dist, pos+dist, -1, cd1, cd2); } if (linesToLeftRight) { Vector out(pos, note_center); if (out.length()*2 >= strand.length()) { // short strands -> draw simple bracket Vector toLeft(note_center, left); Vector toRight(note_center, right); device->line(gc, boxText ? note_center : note_center+toLeft*(half_width/toLeft.length()), left-toLeft*(half_charSize/toLeft.length()), -1, cd1, cd2); device->line(gc, boxText ? note_center : note_center+toRight*(half_width/toRight.length()), right-toRight*(half_charSize/toRight.length()), -1, cd1, cd2); // Vector dist = Vector(left, note_center).normalize()*half_charSize; // device->line(gc, boxText ? note_center : note_center-dist, left+dist, -1, cd1, cd2); // dist = Vector(right, note_center).normalize()*half_charSize; // device->line(gc, boxText ? note_center : note_center-dist, right+dist, -1, cd1, cd2); } else { Vector rightIndent = out; rightIndent.rotate270deg(); Position rightOut = right+out+rightIndent; Position leftOut = left+out-rightIndent; Vector posPad = Vector(right, rightOut).set_length(half_charSize); device->line(gc, right+posPad, rightOut, -1, cd1, cd2); posPad.rotate90deg(); device->line(gc, left+posPad, leftOut, -1, cd1, cd2); if (boxText) { device->line(gc, leftOut, rightOut, -1, cd1, cd2); } else { Vector rightTextPad(note_center, rightOut); rightTextPad.set_length(half_width); device->line(gc, note_center+rightTextPad, rightOut, -1, cd1, cd2); device->line(gc, note_center-rightTextPad, leftOut, -1, cd1, cd2); } } } } Vector center_textcorner(-half_width, half_height); // from center to lower left corner Position textcorner = note_center+center_textcorner; if (boxText) { Vector center_corner(-half_width-half_height*0.3, half_height*1.3); // box is 25% bigger than text Rectangle box(note_center+center_corner, -2*center_corner); device->clear_part(box, -1); device->box(gc, false, box, -1, cd1, cd2); } device->text(gc, text, textcorner, 0, -1, cd1, cd2, 0); } void SEC_root::paintPosAnnotation(AW_device *device, int gc, size_t absPos, const char *text, bool lineToBase, bool boxText) { // draw a annotation next to a base (only works after paint()). // if nothing was drawn at absPos, annotate a position between previous and next drawn position. // text == NULL -> draw absPos as number // lineToBase == true -> draw a line to the base itself // boxText == true -> draw a box around text size_t abs1, abs2; const Position& pos1 = drawnPositions->drawn_before(absPos, &abs1); const Position& pos2 = drawnPositions->drawn_after (absPos, &abs2); LineVector vec12(pos1, pos2); Position mid12 = vec12.centroid(); Position pos; { const Position *posDrawn = drawnPositions->drawn_at(absPos); if (posDrawn) { // absPos was drawn pos = *posDrawn; } else { // absPos was not drawn -> use position inbetween pos = mid12; } } if (!text) text = GBS_global_string("%zu", absPos); paintAnnotation(device, gc, pos, pos1, pos2, vec12.length(), text, lineToBase, false, boxText, 0, absPos); } void SEC_root::paintEcoliPositions(AW_device *device) { long abspos = db->ecoli()->rel_2_abs(0); paintPosAnnotation(device, SEC_GC_ECOLI, size_t(abspos), "1", true, true); const BI_ecoli_ref *ecoli = db->ecoli(); for (size_t ep = 99; ep < ecoli->base_count(); ep += 100) { abspos = ecoli->rel_2_abs(ep); paintPosAnnotation(device, SEC_GC_ECOLI, size_t(abspos), GBS_global_string("%zu", ep+1), true, true); } } void SEC_root::paintHelixNumbers(AW_device *device) { for (SEC_base_iterator elem(this); elem; ++elem) { if (elem->getType() == SEC_HELIX) { SEC_helix& helix = static_cast(*elem); // paint helix number of right (3') helix strand SEC_helix_strand *strand = helix.strandToRoot()->is3end() ? helix.strandToRoot() : helix.strandToOutside(); int absPos = strand->startAttachAbspos(); const char *helixNr = helixNrAt(absPos); if (helixNr) { if (helix.standardSize() == 0) { // helix with zero length (just one position on each strand) paintPosAnnotation(device, SEC_GC_HELIX_NO, strand->startAttachAbspos(), helixNr, true, true); } else { const Position& start = strand->startAttachPoint(); const Position& end = strand->endAttachPoint(); Position helixCenter = centroid(start, end); paintAnnotation(device, SEC_GC_HELIX_NO, helixCenter, start, end, // displayParams.distance_between_strands*2, displayParams.distance_between_strands, helixNr, false, true, true, strand->self(), absPos); } } } } } #if defined(PAINT_ABSOLUTE_POSITION) void SEC_root::showSomeAbsolutePositions(AW_device *device) { if (device->filter != AW_SIZE) { // ignore for size calculation Rectangle screen(device->rtransform(device->get_area_size())); Vector diag3 = screen.diagonal()/3; Rectangle showInside(screen.upper_left_corner()+diag3*1.85, diag3); device->box(SEC_GC_DEFAULT, false, showInside, -1, 0, -1); PosMap::const_iterator end = drawnPositions->end(); for (PosMap::const_iterator pos = drawnPositions->begin(); pos != end; ++pos) { if (showInside.contains(pos->second)) { paintPosAnnotation(device, SEC_GC_DEFAULT, pos->first, NULL, true, true); } } } } #endif // PAINT_ABSOLUTE_POSITION void SEC_root::announce_base_position(int base_pos, const Position& draw_pos) { drawnPositions->announce(base_pos, draw_pos); } void SEC_root::clear_announced_positions() { if (!drawnPositions) drawnPositions = new SEC_drawn_positions; drawnPositions->clear(); } void SEC_root::delete_announced_positions() { delete drawnPositions; drawnPositions = 0; } // --------------------------- // Paints CONSTRAINTS // --------------------------- void SEC_helix_strand::paint_constraints(AW_device *device) { double minS = helix_info->minSize(); double maxS = helix_info->maxSize(); if (minS>0 || maxS>0) { const Position& startP = startAttachPoint(); const Position& endP = endAttachPoint(); bool drawMidLine = minS>0 && maxS>0; Position minP = startP + Vector(startP, endP) * (drawMidLine ? minS/maxS : 0.5); get_root()->paintAnnotation(device, SEC_GC_DEFAULT, minP, startP, endP, get_root()->display_params().distance_between_strands*2, GBS_global_string("%.1f-%.1f", minS, maxS), drawMidLine, true, true, self(), startAttachAbspos()); } } void SEC_loop::paint_constraints(AW_device *device) { int abspos = get_fixpoint_strand()->startAttachAbspos(); double minS = minSize(); double maxS = maxSize(); if (minS>0 || maxS>0) { if (minS>0) device->circle(SEC_GC_DEFAULT, false, center, minS, minS, -1, self(), abspos); if (maxS>0) device->circle(SEC_GC_DEFAULT, false, center, maxS, maxS, -1, self(), abspos); device->text(SEC_GC_DEFAULT, GBS_global_string("%.1f-%.1f", minS, maxS), center+Vector(0, max(minS, maxS)/2), 0.5, -1, self(), abspos); } } // -------------------------- // Background colors // -------------------------- #warning move to SEC_db_interface void SEC_root::cacheBackgroundColor() { freeset(bg_color, 0); const ED4_sequence_terminal *sterm = db->get_seqTerminal(); if (sterm) { int start = 0; int len = db->length(); int end = len-1; bg_color = (char*)malloc(len); const char *bg_sai = displayParams.display_sai ? ED4_getSaiColorString(db->awroot(), start, end) : 0; const char *bg_search = displayParams.display_search ? ED4_buildColorString(sterm, start, end) : 0; if (bg_sai) { if (bg_search) { for (int i = start; i <= end; ++i) { bg_color[i] = bg_search[i] ? bg_search[i] : bg_sai[i]; } } else memcpy(bg_color, bg_sai, len); } else { if (bg_search) memcpy(bg_color, bg_search, len); else memset(bg_color, 0, len); } } } void SEC_root::paintBackgroundColor(AW_device *device, SEC_bgpaint_mode mode, const Position& p1, int color1, int gc1, const Position& p2, int color2, int gc2, int skel_gc, AW_CL cd1, AW_CL cd2) { // paints background colors for p2 and connection between p1 and p2. // gc1/gc2 are foreground gc used to detect size of background regions // // Also paints skeleton sec_assert(valid_cb_params(cd1, cd2)); color1 = paintData.convert_BackgroundGC(color1); // convert EDIT4-GCs into SECEDIT-GCs color2 = paintData.convert_BackgroundGC(color2); if (color1 >= 0 || color2 >= 0 || displayParams.show_strSkeleton) { const double& radius1 = char_radius[gc1]; const double& radius2 = char_radius[gc2]; Position s1 = p1; Position s2 = p2; bool space = false; if (displayParams.hide_bases) { space = true; // no base chars -> enough space to paint } else { Vector v12(p1, p2); double vlen = v12.length(); if ((radius1+radius2) < vlen) { // test if there is enough space between characters s1 = p1 + v12*(radius1/vlen); // skeleton<->base attach-points s2 = p2 - v12*(radius2/vlen); space = true; } } if (mode & BG_PAINT_FIRST && color1 >= 0) { // paint first circle ? device->circle(color1, true, p1, radius1, radius1, -1, cd1, cd2); } if (mode & BG_PAINT_SECOND && color2 >= 0) { // paint second circle ? device->circle(color2, true, p2, radius1, radius1, -1, cd1, cd2); } if (color1 == color2 && color1 >= 0) { // colors are equal -> paint background between points device->set_line_attributes(color1, bg_linewidth[paintData.get_linePropertyGC(gc1, gc2)], AW_SOLID); device->line(color1, p1, p2, -1, cd1, cd2); } if (space) { if (displayParams.show_strSkeleton) { // paint skeleton device->set_line_attributes(skel_gc, displayParams.skeleton_thickness, AW_SOLID); #if defined(DEBUG) if (displayParams.show_debug) { s1 = p1; s2 = p2; } // in debug mode always show full skeleton #endif // DEBUG device->line(skel_gc, s1, s2, -1, cd1, cd2); } } } } void SEC_root::paintSearchPatternStrings(AW_device *device, int clickedPos, AW_pos xPos, AW_pos yPos) { int searchColor = getBackgroundColor(clickedPos); if (searchColor >= SEC_GC_SBACK_0 && searchColor <= SEC_GC_SBACK_8) { static const char *text[SEC_GC_SBACK_8-SEC_GC_SBACK_0+1] = { "User 1", "User 2", "Probe", "Primer (local)", "Primer (region)", "Primer (global)", "Signature (local)", "Signature (region)", "Signature (global)", }; device->text(searchColor, text[searchColor-SEC_GC_SBACK_0], xPos, yPos, 0, 1, 0, clickedPos, 0); } else { aw_message("Please click on a search result"); } } // -------------- // Bonds // -------------- void SEC_bond_def::paint(AW_device *device, char base1, char base2, const Position& p1, const Position& p2, const Vector& toNextBase, const double& char_radius, AW_CL cd1, AW_CL cd2) const { if (base1 && base2) { char Bond = get_bond(base1, base2); if (Bond == ' ') { // check IUPACs const char *iupac1 = AWT_decode_iupac(base1, ali_type, 0); const char *iupac2 = AWT_decode_iupac(base2, ali_type, 0); bool useBond[SEC_BOND_PAIR_CHARS]; for (int i = 0; imaxIdx) maxIdx = idx; } } } if (maxIdx >= 0) { for (int i = 0; iline(GC, b1, b2, -1, cd1, cd2); break; case '#': // double cross case '=': // double line device->line(GC, b1+aside, b2+aside, -1, cd1, cd2); device->line(GC, b1-aside, b2-aside, -1, cd1, cd2); if (bondChar == '#') { Vector outside = v12*(bondLen/oppoDist/4); Position c1 = center+outside; Position c2 = center-outside; aside *= 2; device->line(GC, c1-aside, c1+aside, -1, cd1, cd2); device->line(GC, c2-aside, c2+aside, -1, cd1, cd2); } break; case '~': { double radius = aside.length(); { double maxRadius = bondLen/4; if (maxRadiusarc(GC, false, c1, radius, radius, deg+180-1, 180+30, -1, cd1, cd2); device->arc(GC, false, c2, radius, radius, deg-1, 180+30, -1, cd1, cd2); break; } case '+': // cross aside *= 2; device->line(GC, center-aside, center+aside, -1, cd1, cd2); if (2*aside.length() < bondLen) { aside.rotate90deg(); device->line(GC, center-aside, center+aside, -1, cd1, cd2); } else { device->line(GC, b1, b2, -1, cd1, cd2); } break; case 'o': case '.': { // circles double radius = aside.length(); if (bondChar == 'o') radius *= 2; device->circle(GC, false, center, radius, radius, -1, cd1, cd2); break; } case '@': // error in bonddef device->text(GC, "Err", center+Vector(0, char_radius), 0.5, -1, cd1, cd2); break; default: sec_assert(0); // // illegal bond char break; } } // ---------------------- // Paint helices // ---------------------- struct StrandPositionData { int abs[2]; // absolute sequence position int previous[2]; // previous drawn index bool drawn[2]; // draw position ? bool isPair; // true if position is pairing Position realpos[2]; // real position }; void SEC_helix_strand::paint_strands(AW_device *device, const Vector& strand_vec, const double& strand_len) { static StrandPositionData *data = 0; static int allocated = 0; const SEC_region* Region[2] = { get_region(), other_strand->get_region() }; int base_count = Region[0]->get_base_count(); sec_assert(Region[1]->get_base_count() == base_count); // not aligned ? if (base_count<1) { return; // completely skip painting on strands w/o any base } if (allocatedget_helixDef(); double base_dist = base_count>1 ? strand_len / (base_count-1) : 1; Vector vnext = strand_vec * base_dist; // vector from base to next base (in strand) // first calculate positions { StrandPositionData *curr = &data[0]; int idx[2] = { 0, base_count-1 }; Position pos[2] = { leftAttach, rightAttach }; Vector toNonBind[2]; // vectors from normal to non-binding positions toNonBind[1] = (strand_vec*0.5).rotate90deg(); toNonBind[0] = -toNonBind[1]; for (int strand = 0; strand<2; ++strand) { curr->abs[strand] = Region[strand]->getBasePos(idx[strand]); curr->previous[strand] = 0; curr->drawn[strand] = (curr->abs[strand] >= 0); } for (int dIdx = 1; ; ++dIdx) { sec_assert(pos[0].valid()); sec_assert(pos[1].valid()); int oneAbs = curr->drawn[0] ? curr->abs[0] : curr->abs[1]; sec_assert(oneAbs >= 0); // otherwise current position should have been eliminated by align_helix_strands curr->isPair = (helix->pairtype(oneAbs) != HELIX_NONE); for (int strand = 0; strand<2; ++strand) { if (curr->isPair) { curr->realpos[strand] = pos[strand]; curr->drawn[strand] = true; } else { curr->realpos[strand] = pos[strand]+toNonBind[strand]; } sec_assert(curr->realpos[strand].valid()); } if (dIdx >= base_count) break; ++idx[0]; --idx[1]; StrandPositionData *prev = curr; curr = &data[dIdx]; for (int strand = 0; strand<2; ++strand) { pos[strand] += vnext; curr->abs[strand] = Region[strand]->getBasePos(idx[strand]); curr->previous[strand] = prev->drawn[strand] ? dIdx-1 : prev->previous[strand]; curr->drawn[strand] = (curr->abs[strand] >= 0); } } } const int pair2helixGC[2] = { SEC_GC_NHELIX, SEC_GC_HELIX }; const int pair2skelGC[2] = { SEC_SKELE_NHELIX, SEC_SKELE_HELIX }; const SEC_db_interface *db = root->get_db(); const SEC_displayParams& disp = root->display_params(); // draw background and skeleton for (int pos = 1; posdrawn[strand]) { StrandPositionData *prev = &data[curr->previous[strand]]; int backAbs = disp.edit_direction ? max(prev->abs[strand], curr->abs[strand]) : min(prev->abs[strand], curr->abs[strand]); root->paintBackgroundColor(device, pos == base_count-1 ? BG_PAINT_NONE : BG_PAINT_SECOND, prev->realpos[strand], root->getBackgroundColor(prev->abs[strand]), pair2helixGC[prev->isPair], curr->realpos[strand], root->getBackgroundColor(curr->abs[strand]), pair2helixGC[curr->isPair], pair2skelGC[curr->isPair && prev->isPair], self(), backAbs); } } } // draw base characters and bonds char baseBuf[20] = "x"; for (int pos = 0; posisPair]; Vector center_char = root->get_center_char_vector(gc); for (int strand = 0; strand<2; ++strand) { if (curr->drawn[strand]) { int abs = curr->abs[strand]; const Position& realPos = curr->realpos[strand]; sec_assert(abs >= 0); // if (abs >= 0) { base[strand] = db->baseAt(abs); root->announce_base_position(abs, realPos); // } // else { // base[strand] = '-'; // } if (!disp.hide_bases) { baseBuf[0] = base[strand]; Position base_pos = realPos + center_char; // center base at realpos #if defined(DEBUG) if (disp.show_debug) device->line(gc, realPos, base_pos, -1, self(), abs); // sprintf(baseBuf+1, "%i", abs); #endif // DEBUG device->text(gc, baseBuf, base_pos, 0, -1, self(), abs, 0); } } } if (disp.show_bonds == SHOW_NHELIX_BONDS || (disp.show_bonds == SHOW_HELIX_BONDS && curr->isPair)) { db->bonds()->paint(device, base[0], base[1], curr->realpos[0], curr->realpos[1], vnext, root->get_char_radius(pair2helixGC[curr->isPair]), self(), curr->abs[0]); } } } void SEC_helix_strand::paint(AW_device *device) { sec_assert(isRootsideFixpoint()); Vector strand_vec(rightAttach, other_strand->leftAttach); double strand_len = strand_vec.length(); // length of strand if (strand_len>0) { strand_vec.normalize(); // normalize } else { // strand with zero length (contains only one base-pair) strand_vec = Vector(rightAttach, leftAttach).rotate90deg(); // #if defined(DEBUG) // device->set_line_attributes(SEC_GC_HELIX, 1, AW_DOTTED); // device->line(SEC_GC_HELIX, LineVector(fixpoint, strand_vec), -1, 0, 0); // #endif // // DEBUG } other_strand->origin_loop->paint(device); // first paint next loop paint_strands(device, strand_vec, strand_len); // then paint strand SEC_root *root = get_root(); const SEC_displayParams& disp = root->display_params(); if (disp.show_strSkeleton && !disp.show_bonds && disp.hide_bases) { // display strand direction LineVector strandArrow; if (strand_len>0) { strandArrow = LineVector(get_fixpoint(), strand_vec); } else { Vector fix2arrowStart(get_fixpoint(), leftAttachPoint()); fix2arrowStart.rotate90deg(); strandArrow = LineVector(get_fixpoint()-fix2arrowStart, 2*fix2arrowStart); } AW_CL cd1 = (AW_CL)get_helix()->self(); AW_CL cd2 = (AW_CL)startAttachAbspos(); device->line(SEC_GC_HELIX, strandArrow, -1, cd1, cd2); Vector right = strandArrow.line_vector(); // left arrowhead vector right = (right * (disp.distance_between_strands*0.35/right.length())).rotate135deg(); Vector left = Vector(right).rotate90deg(); Position head = strandArrow.head(); device->line(SEC_GC_HELIX, LineVector(head, left), -1, cd1, cd2); device->line(SEC_GC_HELIX, LineVector(head, right), -1, cd1, cd2); } #if defined(DEBUG) if (disp.show_debug) paintStrandDebugInfo(device, SEC_GC_HELIX, other_strand); #endif // DEBUG if (root->get_show_constraints() & SEC_HELIX) paint_constraints(device); } // -------------------- // Paint loops // -------------------- void SEC_segment::paint(AW_device *device, SEC_helix_strand *previous_strand_pointer) { int base_count = get_region()->get_base_count(); // bases in segment const Position& startP = previous_strand_pointer->rightAttachPoint(); const Position& endP = next_helix_strand->leftAttachPoint(); Angle current; // start/current angle Angle end; // end angle double radius1; // start and.. double radius2; // end radius of segment { Vector seg_start_radius(center1, startP); radius1 = seg_start_radius.length(); current = seg_start_radius; Vector seg_end_radius(center2, endP); radius2 = seg_end_radius.length(); end = seg_end_radius; } int steps = base_count+1; double step = ((end-current)/steps).radian(); // correct if we have to paint more than a full loop if ((alpha - (step*steps)) > M_PI) { step += (2*M_PI)/steps; } double radStep = (radius2-radius1)/steps; Vector cstep(center1, center2); cstep /= steps; SEC_root *root = get_root(); const SEC_db_interface *db = root->get_db(); const SEC_displayParams& disp = root->display_params(); #if defined(DEBUG) if (disp.show_debug) { paintStrandDebugInfo(device, SEC_GC_LOOP, previous_strand_pointer); int startAbsPos = previous_strand_pointer->rightAttachAbspos(); int endAbsPos = next_helix_strand->leftAttachAbspos(); paintDebugInfo(device, SEC_GC_LOOP, center1, GBS_global_string("SC1 (step=%5.3f)", step), self(), startAbsPos); paintDebugInfo(device, SEC_GC_LOOP, center2, "SC2", self(), endAbsPos); device->line(SEC_GC_LOOP, center1, startP, -1, self(), startAbsPos); device->line(SEC_GC_LOOP, center2, endP, -1, self(), endAbsPos); device->line(SEC_GC_LOOP, center1, center2, -1, self(), startAbsPos); } #endif // DEBUG char baseBuf[5] = "?"; // contains base char during print Position pos = startP; int abs = previous_strand_pointer->rightAttachAbspos(); int back = root->getBackgroundColor(abs); int gc = root->getBondtype(abs) == HELIX_NONE ? SEC_GC_NHELIX : SEC_GC_HELIX; int nextGc = SEC_GC_LOOP; Position currCenter = center1; double currRadius = radius1; for (int i = -1; ileftAttachAbspos(); if (nextAbs<0) { // helix doesn't start with pair nextAbs = next_helix_strand->getNextAbspos(); } nextGc = root->getBondtype(nextAbs) == HELIX_NONE ? SEC_GC_NHELIX : SEC_GC_HELIX;; } else { nextAbs = get_region()->getBasePos(i+1); } int nextBack = root->getBackgroundColor(nextAbs); // paint background (from pos to nextPos) root->paintBackgroundColor(device, i == -1 ? BG_PAINT_BOTH : BG_PAINT_SECOND, pos, back, gc, nextPos, nextBack, nextGc, SEC_SKELE_LOOP, self(), disp.edit_direction ? nextAbs : abs); // if (disp.show_strSkeleton) { // device->line(SEC_SKELE_LOOP, pos, nextPos, -1, self(), abs); // } if (i >= 0) { // paint base char at pos // baseBuf[0] = abs>0 ? root->sequence[abs] : '?'; baseBuf[0] = abs>0 ? db->baseAt(abs) : '?'; Vector center_char = root->get_center_char_vector(gc); Position base_pos = pos + center_char; // center base character at pos // #if defined(DEBUG) // if (disp.show_debug) { // #if defined(PAINT_REGION_INDEX) // sprintf(baseBuf+1, "%i", i); // #endif // // PAINT_REGION_INDEX // } // #endif // // DEBUG if (!disp.hide_bases) { #if defined(DEBUG) // show line from base paint pos to calculated center of char // (which is currently calculated wrong!) if (disp.show_debug) device->line(SEC_GC_LOOP, pos, base_pos, -1, self(), abs); #endif // DEBUG device->text(SEC_GC_LOOP, baseBuf, base_pos, 0, -1, self(), abs, 0 ); } root->announce_base_position(abs, pos); } // prepare next loop pos = nextPos; abs = nextAbs; back = nextBack; gc = nextGc; } } void SEC_loop::paint(AW_device *device) { for (SEC_segment_iterator seg(this); seg; ++seg) { // first paint all segments seg->paint(device, seg->get_previous_strand()); } for (SEC_strand_iterator strand(this); strand; ++strand) { // then paint all outgoing strands if (strand->isRootsideFixpoint()) strand->paint(device); } SEC_root *sroot = get_root(); #if defined(DEBUG) if (sroot->display_params().show_debug) { SEC_helix_strand *fixpoint_strand = get_fixpoint_strand(); int abspos = fixpoint_strand->startAttachAbspos(); device->set_line_attributes(SEC_GC_CURSOR, 1, AW_SOLID); device->line(SEC_GC_CURSOR, get_center(), fixpoint_strand->get_fixpoint(), self(), abspos); paintStrandDebugInfo(device, SEC_GC_CURSOR, fixpoint_strand); paintDebugInfo(device, SEC_GC_CURSOR, get_center(), "LC", self(), abspos); } #endif // DEBUG if (sroot->get_show_constraints() & SEC_LOOP) paint_constraints(device); } // --------------------------------------------------------- // Paint the whole structure (starting with SEC_root) // --------------------------------------------------------- GB_ERROR SEC_root::paint(AW_device *device) { SEC_loop *rootLoop = get_root_loop(); sec_assert(rootLoop); clear_announced_positions(); // reset positions next to cursor const BI_helix *helix = get_helixDef(); sec_assert(helix); GB_ERROR error = helix->get_error(); if (!error) { sec_assert(SEC_GC_FIRST_FONT == 0); font_group.unregisterAll(); for (int gc = SEC_GC_FIRST_FONT; gc <= SEC_GC_LAST_FONT; ++gc) { font_group.registerFont(device, gc, "ACGTU-."); center_char[gc] = device->rtransform(Vector(-0.5*font_group.get_width(gc), 0.5*font_group.get_ascent(gc))); } // calculate size for background painting sec_assert(SEC_GC_FIRST_DATA == 0); for (int gc = SEC_GC_FIRST_DATA; gc <= SEC_GC_LAST_DATA; ++gc) { int maxSize = max(font_group.get_width(gc), font_group.get_ascent(gc)); maxSize +=2; // add 2 extra pixels bg_linewidth[gc] = maxSize; char_radius[gc] = device->rtransform_size(maxSize) * 0.5; // was 0.75 } cacheBackgroundColor(); device->set_line_attributes(SEC_SKELE_HELIX, displayParams.skeleton_thickness, AW_SOLID); device->set_line_attributes(SEC_SKELE_NHELIX, displayParams.skeleton_thickness, AW_SOLID); device->set_line_attributes(SEC_SKELE_LOOP, displayParams.skeleton_thickness, AW_SOLID); device->set_line_attributes(SEC_GC_BONDS, displayParams.bond_thickness, AW_SOLID); // mark the rootLoop with a box and print stucture number { const Position& loop_center = rootLoop->get_center(); const char *structId = db->structure()->name(); // Vector textAdjust = center_char[SEC_GC_DEFAULT]; // textAdjust.setx(0); // // only adjust y AW_CL cd1 = rootLoop->self(); AW_CL cd2 = -1; Vector center2corner(-1, -1); center2corner.set_length(rootLoop->drawnSize()*0.33); Position upperleft_corner = loop_center+center2corner; Vector diagonal = -2*center2corner; Position textPos(loop_center.xpos(), upperleft_corner.ypos()); device->box(SEC_GC_DEFAULT, false, upperleft_corner, diagonal, -1, cd1, cd2); device->text(SEC_GC_DEFAULT, structId, textPos, 0.5, -1, cd1, cd2, 0); } #if defined(CHECK_INTEGRITY) check_integrity(CHECK_ALL); #endif // CHECK_INTEGRITY rootLoop->paint(device); // paint ecoli positions: if (displayParams.show_ecoli_pos) paintEcoliPositions(device); if (displayParams.show_helixNrs) { paintHelixNumbers(device); } #if defined(PAINT_ABSOLUTE_POSITION) if (displayParams.show_debug) showSomeAbsolutePositions(device); #endif // PAINT_ABSOLUTE_POSITION // paint cursor: if (!drawnPositions->empty() && (device->filter&(AW_PRINTER|AW_PRINTER_EXT)) == 0) // dont print/xfig-export cursor { size_t abs1, abs2; Position pos1, pos2; size_t curAbs; if (displayParams.edit_direction == 1) { pos1 = drawnPositions->drawn_before(cursorAbsPos, &abs1); pos2 = drawnPositions->drawn_after(cursorAbsPos-1, &abs2); curAbs = abs2; } else { pos1 = drawnPositions->drawn_before(cursorAbsPos+1, &abs1); pos2 = drawnPositions->drawn_after(cursorAbsPos, &abs2); curAbs = abs1; } #if defined(DEBUG) && 1 // draw a testline to see the baseline on that the cursor is positioned device->set_line_attributes(SEC_GC_CURSOR, 1, AW_DOTTED); device->line(SEC_GC_CURSOR, pos1, pos2, -1, 0, curAbs); #endif Position mid = centroid(pos1, pos2); Vector v(pos1, pos2); { Vector v_drawn = device->transform(v); double drawn_length = v_drawn.length(); sec_assert(drawn_length>0.0); double cursor_size = 1.3 * max(font_group.get_max_width(), font_group.get_max_ascent()); // 30% bigger than max font size double stretch = cursor_size*0.5/drawn_length; // stretch cursor (half fontsize in each direction) v.rotate90deg() *= stretch; } LineVector cursor(mid+v, mid-v); device->set_line_attributes(SEC_GC_CURSOR, 3, AW_SOLID); device->line(SEC_GC_CURSOR, cursor, -1, 0, curAbs); set_last_drawed_cursor_position(cursor); LineVector cursor_dir(cursor.head(), displayParams.edit_direction ? v.rotate270deg() : v.rotate90deg()); device->line(SEC_GC_CURSOR, cursor_dir, -1, 0, curAbs); int cursor_gc = -1; int cursor_pos = -1; switch (displayParams.show_curpos) { case SHOW_ABS_CURPOS: cursor_gc = SEC_GC_CURSOR; cursor_pos = curAbs+1; // show absolute position starting with 1 break; case SHOW_BASE_CURPOS: cursor_gc = SEC_GC_DEFAULT; cursor_pos = ED4_get_base_position(db->get_seqTerminal(), curAbs)+1; // show base position starting with 1 break; case SHOW_ECOLI_CURPOS: { cursor_gc = SEC_GC_ECOLI; cursor_pos = db->ecoli()->abs_2_rel(curAbs)+1; // show ecoli base position starting with 1 break; } case SHOW_NO_CURPOS: cursor_gc = -1; break; } if (cursor_gc >= 0) { paintPosAnnotation(device, cursor_gc, curAbs, GBS_global_string("%u", cursor_pos), true, true); } } } return error; } void SEC_region::align_helix_strands(SEC_root *root, SEC_region *other_region) { if (abspos_array) { const BI_helix *helix = root->get_helixDef(); if (helix && !helix->get_error()) { SEC_region *reg[2] = { this, other_region }; int incr[2] = { 1, -1 }; // this is iterated forward, other_region backward int *absarr[2]; int *new_absarr[2] = { 0, 0 }; for (int r = 0; r<2; ++r) { absarr[r] = reg[r]->abspos_array; } for (int write = 0; write < 2; ++write) { int curr[2] = { 0, reg[1]->baseCount-1 }; int last[2] = { reg[0]->baseCount-1, 0 }; int newp[2] = { 0, 0 }; while (curr[0] <= last[0] && curr[1] >= last[1]) { int abs[2]; bool ispair[2]; for (int r = 0; r<2; ++r) { abs[r] = absarr[r][curr[r]]; ispair[r] = abs[r] >= 0 && (helix->pairtype(abs[r]) != HELIX_NONE); } if (ispair[0] && ispair[1]) { if (helix->opposite_position(abs[0]) != size_t(abs[1]) || helix->opposite_position(abs[1]) != size_t(abs[0])) { GB_ERROR error = GBS_global_string("Helix '%s/%s' folded at wrong position. Please refold.", helix->helixNr(abs[0]), helix->helixNr(abs[1])); aw_message(error); } for (int r = 0; r<2; ++r) { // fill up to align binding positions while (newp[r]= 0 && !ispair[r]) { // collect non-pairing bases if (write) { new_absarr[r][newp[r]] = abs[r]; } newp[r]++; curr[r] += incr[r]; collected = true; } } if (!collected) { for (int r = 0; r<2; ++r) { if (abs[r]<0) curr[r] += incr[r]; } } } } sec_assert(newp[0] == newp[1]); // alignment failed for (int r = 0; r<2; ++r) { if (write) { if (r == 1) { // reverse positions int p2 = newp[1]-1; int *arr = new_absarr[1]; for (int p = 0; pabspos_array; reg[r]->abspos_array = new_absarr[r]; #if defined(DEBUG) reg[r]->abspos_array_size = newp[r]; #endif // DEBUG reg[r]->set_base_count(newp[r]); } else { // allocate buffers for second pass new_absarr[r] = new int[newp[r]]; } } } } } } ./arbsrc_9167/SECEDIT/SEC_read.cxx0000644012664100000130000004650011440743001016347 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_read.cxx // // Purpose : read structure from declaration string // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include "SEC_root.hxx" #include "SEC_iter.hxx" #define BUFFER_SIZE 1000 using namespace std; /*********************************************************************** * Supplementary Functions ***********************************************************************/ static const char * sec_read_line(istream & in) { static char string_buffer[BUFFER_SIZE]; in.getline(string_buffer, BUFFER_SIZE); //clean input-stream of whitespaces int j=0; for (int i=0; i<(BUFFER_SIZE-1); i++) { if (!(isspace(string_buffer[i]))) { string_buffer[j] = string_buffer[i]; j++; if (string_buffer[i] == '\0') break; } } return string_buffer; } static GB_ERROR sec_scan_ints(const char * string_buffer, int *number_1, int *number_2) { GB_ERROR error = 0; char *scanend; // this is a 'const char *' sec_assert(number_1); *number_1 = (int)strtol(string_buffer, &scanend, 10); if (number_2) { if (scanend[0] != ':') { error = "expected ':' after integer number"; } else { *number_2 = (int)strtol(scanend+1, &scanend, 10); } } if (!error && scanend[0] != 0) { // not at string end error = number_2 ? "unexpected content after '=NUMBER:NUMBER'" : "unexpected content after '=NUMBER'"; } return error; } static GB_ERROR sec_scan_doubles(const char * string_buffer, double *number_1, double *number_2) { GB_ERROR error = 0; char *scanend; // this is a 'const char *' sec_assert(number_1); *number_1 = strtod(string_buffer, &scanend); if (number_2) { if (scanend[0] != ':') { error = "expected ':' after floating-point number"; } else { *number_2 = strtod(scanend+1, &scanend); } } if (!error && scanend[0] != 0) { // not at string end error = number_2 ? "unexpected content after '=NUMBER:NUMBER'" : "unexpected content after '=NUMBER'"; } return error; } static GB_ERROR sec_expect_keyword_and_ints(const char *string_buffer, const char *keyword, size_t keywordlen, int *number_1, int *number_2) { // scans 'KEYWORD = NUM:NUM' or 'KEYWORD=NUM' // 1 or 2 numbers are returned via number_1 and number_2 sec_assert(strlen(keyword) == keywordlen); GB_ERROR error = 0; if (strncmp(string_buffer, keyword, keywordlen) != 0 || string_buffer[keywordlen] != '=') { error = GBS_global_string("Expected '%s='", keyword); } else { error = sec_scan_ints(string_buffer+keywordlen+1, number_1, number_2); } if (error) error = GBS_global_string("%s (while parsing '%s')", error, string_buffer); return error; } static GB_ERROR sec_expect_keyword_and_doubles(const char *string_buffer, const char *keyword, size_t keywordlen, double *number_1, double *number_2) { // scans 'KEYWORD = NUM:NUM' or 'KEYWORD=NUM' // 1 or 2 numbers are returned via number_1 and number_2 sec_assert(strlen(keyword) == keywordlen); GB_ERROR error = 0; if (strncmp(string_buffer, keyword, keywordlen) != 0 || string_buffer[keywordlen] != '=') { error = GBS_global_string("Expected '%s='", keyword); } else { error = sec_scan_doubles(string_buffer+keywordlen+1, number_1, number_2); } if (error) error = GBS_global_string("%s (while parsing '%s')", error, string_buffer); return error; } static GB_ERROR sec_expect_constraints(const char *string_buffer, const char *keyword, size_t keywordlen, SEC_constrainted *elem) { double min, max; GB_ERROR error = sec_expect_keyword_and_doubles(string_buffer, keyword, keywordlen, &min, &max); if (!error) elem->setConstraints(min, max); return error; } static GB_ERROR sec_expect_closing_bracket(istream& in) { const char *string_buffer = sec_read_line(in); if (strcmp(string_buffer, "}") == 0) return 0; return GBS_global_string("Expected '}' instead of '%s'", string_buffer); } /*********************************************************************** * READ-Functions ***********************************************************************/ GB_ERROR SEC_region::read(istream & in, SEC_root *root, int /*version*/) { int seq_start, seq_end; const char *string_buffer = sec_read_line(in); GB_ERROR error = sec_expect_keyword_and_ints(string_buffer, "SEQ", 3, &seq_start, &seq_end); if (!error) { sec_assert(root->get_db()->canDisplay()); if (root->get_db()->canDisplay()) { const XString& x_string = root->get_xString(); int x_count = x_string.getXcount(); if (seq_start >= x_count) error = GBS_global_string("Region start (%i) out of bounds [0..%i]", seq_start, x_count-1); else if (seq_end >= x_count) error = GBS_global_string("Region end (%i) out of bounds [0..%i]", seq_end, x_count-1); else set_sequence_portion(x_string.getAbsPos(seq_start), x_string.getAbsPos(seq_end)); } else { set_sequence_portion(seq_start, seq_end); } } return error; } GB_ERROR SEC_segment::read(SEC_loop *loop_, istream & in, int version) { loop = loop_; GB_ERROR error = get_region()->read(in, get_root(), version); if (!error) error = sec_expect_closing_bracket(in); return error; } GB_ERROR SEC_helix::read(istream & in, int version, double& old_angle_in) { const char *string_buffer = sec_read_line(in); GB_ERROR error = 0; old_angle_in = NAN; // illegal for version >= 3 if (version >= 3) { double angle; error = sec_expect_keyword_and_doubles(string_buffer, "REL", 3, &angle, 0); if (!error) { string_buffer = sec_read_line(in); set_rel_angle(angle); } } else { // version 2 or lower double angle; error = sec_expect_keyword_and_doubles(string_buffer, "DELTA", 5, &angle, 0); if (!error) { string_buffer = sec_read_line(in); set_abs_angle(angle); if (version == 2) { error = sec_expect_keyword_and_doubles(string_buffer, "DELTA_IN", 8, &angle, 0); if (!error) { string_buffer = sec_read_line(in); old_angle_in = angle+M_PI; // rotate! (DELTA_IN pointed from outside-loop to strand) } } else { old_angle_in = angle; // use strands angle } } } if (!error) error = sec_expect_constraints(string_buffer, "LENGTH", 6, this); return error; } GB_ERROR SEC_helix_strand::read(SEC_loop *loop_, istream & in, int version) { // this points away from root-loop, strand2 points towards root SEC_helix_strand *strand2 = new SEC_helix_strand; origin_loop = 0; SEC_root *root = loop_->get_root(); GB_ERROR error = get_region()->read(in, root, version); double next_loop_angle = NAN; if (!error) { helix_info = new SEC_helix(root, strand2, this); origin_loop = loop_; // needed by read() error = helix_info->read(in, version, next_loop_angle); origin_loop = 0; if (error) { delete helix_info; helix_info = 0; strand2->helix_info = 0; } } if (!error) { const char *string_buffer = sec_read_line(in); if (strncmp(string_buffer, "LOOP={", 6) != 0) { error = GBS_global_string("Strand must be followed by 'LOOP={' (not by '%s')", string_buffer); } else { SEC_loop *new_loop = new SEC_loop(root); strand2->origin_loop = new_loop; error = new_loop->read(strand2, in, version, next_loop_angle); if (!error) { error = strand2->get_region()->read(in, root, version); // Loop is complete, now trailing SEQ information must be read string_buffer = sec_read_line(in); // remove closing } from input-stream } if (error) { strand2->origin_loop = 0; delete new_loop; } } } // Note: don't delete strand2 in case of error -- it's done by caller via deleting 'this' sec_assert(origin_loop == 0); if (!error) origin_loop = loop_; return error; } GB_ERROR SEC_loop::read(SEC_helix_strand *rootside_strand, istream & in, int version, double loop_angle) { // loop_angle is only used by old versions<3 const char *string_buffer = sec_read_line(in); GB_ERROR error = sec_expect_constraints(string_buffer, "RADIUS", 6, this); if (!error) { set_fixpoint_strand(rootside_strand); if (version == 3) { string_buffer = sec_read_line(in); double angle; error = sec_expect_keyword_and_doubles(string_buffer, "REL", 3, &angle, 0); if (!error) set_rel_angle(angle); } else { set_abs_angle(loop_angle); sec_assert(get_rel_angle().valid()); } } if (!error) { enum { EXPECT_SEGMENT, EXPECT_STRAND } expect = (!rootside_strand && version >= 3) ? EXPECT_STRAND : EXPECT_SEGMENT; SEC_segment *first_new_segment = 0; SEC_helix_strand *first_new_strand = 0; SEC_segment *last_segment = 0; SEC_helix_strand *last_outside_strand = rootside_strand; bool done = false; while (!done && !error) { string_buffer = sec_read_line(in); if (strncmp(string_buffer, "}", 1) == 0) { done = true; } else if (expect == EXPECT_SEGMENT) { if (strncmp(string_buffer, "SEGMENT={", 9) == 0) { SEC_segment *new_seg = new SEC_segment; error = new_seg->read(this, in, version); if (!error) { if (last_outside_strand) last_outside_strand->set_next_segment(new_seg); last_outside_strand = 0; last_segment = new_seg; if (!first_new_segment) first_new_segment = new_seg; expect = EXPECT_STRAND; } else delete new_seg; } else error = GBS_global_string("Expected SEGMENT (in '%s')", string_buffer); } else { sec_assert(expect == EXPECT_STRAND); if (strncmp(string_buffer, "STRAND={", 8) == 0) { SEC_helix_strand *new_strand = new SEC_helix_strand; error = new_strand->read(this, in, version); if (!error) { if (last_segment) last_segment->set_next_strand(new_strand); last_outside_strand = new_strand; last_segment = 0; if (!first_new_strand) { first_new_strand = new_strand; if (!rootside_strand) set_fixpoint_strand(first_new_strand); } expect = EXPECT_SEGMENT; } else delete new_strand; } else error = GBS_global_string("Expected STRAND (in '%s')", string_buffer); } } if (!error && !first_new_segment) error = "Expected at least one SEGMENT in LOOP{}"; if (!error && !first_new_strand && !rootside_strand) error = "Expected at least one STRAND in root-LOOP{}"; if (!error) { if (last_segment) { sec_assert(last_segment->get_next_strand() == 0); if (rootside_strand) { last_segment->set_next_strand(rootside_strand); } else { // root loop (since version 3) last_segment->set_next_strand(first_new_strand); } } else { sec_assert(last_outside_strand); sec_assert(version<3); // version 3 loops always end with segment sec_assert(!rootside_strand); // only occurs in root-loop last_outside_strand->set_next_segment(first_new_segment); } } else { if (rootside_strand) rootside_strand->set_next_segment(0); // unlink me from parent } } if (error) set_fixpoint_strand(0); return error; } GB_ERROR SEC_root::read_data(const char *input_string, const char *x_string_in) { istringstream in(input_string); delete xString; xString = 0; GB_ERROR error = 0; int version = -1; // version of structure string sec_assert(db->canDisplay()); if (!error) { const char *string_buffer = sec_read_line(in); double firstLoopAngle = 0; error = sec_expect_keyword_and_ints(string_buffer, "VERSION", 7, &version, 0); // version 3++ if (error) { // version < 3! version = 2; // or less int ignoreMaxIndex; error = sec_expect_keyword_and_ints(string_buffer, "MAX_INDEX", 9, &ignoreMaxIndex, 0); // version 1+2 if (!error) { string_buffer = sec_read_line(in); error = sec_expect_keyword_and_doubles(string_buffer, "ROOT_ANGLE", 10, &firstLoopAngle, 0); // version 2 only if (error) { firstLoopAngle += M_PI; version = 1; // version 1 had no ROOT_ANGLE entry error = 0; } else { firstLoopAngle += M_PI; string_buffer = sec_read_line(in); } } } else { if (version>DATA_VERSION) { error = GBS_global_string("Structure has version %i, your ARB can only handle versions up to %i", version, DATA_VERSION); } else { string_buffer = sec_read_line(in); } } if (!error) { // && db->canDisplay() sec_assert(!xString); size_t len = strlen(x_string_in); size_t exp_len = db->length(); if (len != exp_len && len != (exp_len+1)) { error = GBS_global_string("Wrong xstring-length (found=%zu, expected=%zu-%zu)", len, exp_len, exp_len+1); } else { xString = new XString(x_string_in, len, db->length()); #if defined(DEBUG) size_t xlen = xString->getLength(); // internally one position longer than alignment length printf("x_string_in len=%zu\nxlen=%zu\nali_length=%zu\n", strlen(x_string_in), xlen, db->length()); #endif // DEBUG } } delete_root_loop(); if (!error) { #if defined(DEBUG) printf("Reading structure format (version %i)\n", version); #endif // DEBUG if (strncmp(string_buffer, "LOOP={", 6) == 0) { SEC_loop *rootLoop = new SEC_loop(this); // , NULL, 0, 0); set_root_loop(rootLoop); set_under_construction(true); error = rootLoop->read(NULL, in, version, firstLoopAngle); if (!error) { set_under_construction(false); // mark as "constructed" } else { delete_root_loop(); } } else { error = GBS_global_string("Expected root loop ('LOOP={'), not '%s'", string_buffer); } } } if (!error) { if (versionfixAngleBugs(version); } } return error; } void SEC_helix::fixAngleBugs(int version) { if (version<3) { outsideLoop()->fixAngleBugs(version); // first correct substructure // versions<3 silently mirrored angles between strand and origin-loop // to ensure that strand always points away from loop (and not inside). // This correction was done during refresh and therefore not saved to the DB. // Since version 3 no angles will be mirrored automatically, so we need to correct them here. Vector loop2strand(rootsideLoop()->get_center(), get_fixpoint()); if (scalarProduct(loop2strand, get_abs_angle().normal()) < 0) { // < 0 means angle is an acute angle printf("* Autofix acute angle (loop2strand=%.2f, abs=%.2f) of helix nr '%s'\n", Angle(loop2strand).radian(), get_abs_angle().radian(), get_root()->helixNrAt(strandToOutside()->startAttachAbspos())); set_rel_angle(Angle(get_rel_angle()).rotate180deg()); } } } void SEC_loop::fixAngleBugs(int version) { if (version<3) { for (SEC_strand_iterator strand(this); strand; ++strand) { if (strand->pointsToOutside()) { strand->get_helix()->fixAngleBugs(version); } } } } void SEC_root::fixStructureBugs(int version) { if (version < 3) { // old versions produced data structure with non-adjacent regions SEC_base_part *start_part = root_loop->get_fixpoint_strand(); SEC_base_part *part = start_part; SEC_region *reg = part->get_region(); do { SEC_base_part *next_part = part->next(); SEC_region *next_reg = next_part->get_region(); if (!are_adjacent_regions(reg, next_reg)) { printf("* Fixing non-adjacent regions: %i..%i and %i..%i\n", reg->get_sequence_start(), reg->get_sequence_end(), next_reg->get_sequence_start(), next_reg->get_sequence_end()); // known bug occurs at segment->strand transition.. sec_assert(part->parent()->getType() == SEC_LOOP); // .. and segment region ends one position too early sec_assert(get_helixDef()->helixNr(reg->get_sequence_end()) == 0); sec_assert(get_helixDef()->helixNr(next_reg->get_sequence_start()) != 0); // make them adjacent reg->set_sequence_portion(reg->get_sequence_start(), next_reg->get_sequence_start()); } part = next_part; reg = next_reg; } while (part != start_part); } } ./arbsrc_9167/SECEDIT/SEC_root.hxx0000644012664100000130000010063711440743001016426 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_root.hxx // // Purpose : secondary structure representation // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef SEC_ROOT_HXX #define SEC_ROOT_HXX #ifndef _CPP_IOSFWD #include #endif #ifndef AW_FONT_GROUP_HXX #include #endif #ifndef SEC_ABSPOS_HXX #include "SEC_abspos.hxx" #endif #ifndef SEC_GC_HXX #include "SEC_gc.hxx" #endif #ifndef SEC_DB_HXX #include "SEC_db.hxx" #endif using namespace AW; #define DATA_VERSION 3 // ------------------ // Debugging // ------------------ #if defined(DEBUG) #define CHECK_INTEGRITY // check structure integrity after changes #define PAINT_ABSOLUTE_POSITION // paint some positions near center (range = 0..len-1) #endif // DEBUG #ifdef CHECK_INTEGRITY enum SEC_CHECK_TYPE { CHECK_STRUCTURE = 1, CHECK_SIZE = 2, CHECK_POSITIONS = 4, CHECK_ALL = CHECK_STRUCTURE|CHECK_SIZE|CHECK_POSITIONS, }; #endif // ------------------- // SEC_region // ------------------- class SEC_root; class SEC_region { private: /* non redundant values */ int sequence_start, sequence_end; // sequence_end is exclusive /* cached values */ int baseCount; // number of real bases (-1 = uninitialized) int * abspos_array; #if defined(DEBUG) int abspos_array_size; #endif // DEBUG void create_abspos_array(const int *static_array); void set_base_count(int bc) { sec_assert(bc>0); baseCount = bc; } void count_bases(SEC_root *root); // updates abspos_array public: SEC_region(int start, int end); virtual ~SEC_region(); //methods void save(std::ostream & out, int indent, const XString& x_string); GB_ERROR read(std::istream & in, SEC_root *root, int version); void update_base_count(SEC_root *root) { if (baseCount == -1) count_bases(root); } void invalidate_base_count(); //selector-methods int get_sequence_start() const { return sequence_start; } int get_sequence_end() const { return sequence_end; } int get_base_count() const { sec_assert(baseCount != -1); return baseCount; } bool contains_seq_position(int pos) const { if (sequence_end= 0 && basenr= 0); sec_assert(abspos_array); sec_assert(basenr0) ? Min : ((sSize>Max && Max>0) ? Max : sSize); } public: SEC_constrainted() : sSize(0), dSize(0), Min(0), Max(0) {} double drawnSize() const { return dSize; } // constrainted size double standardSize() const { return sSize; } // // unconstrainted size double minSize() const { return Min; } // constraints double maxSize() const { return Max; } void setDrawnSize(double size) { // calculate constraints as needed if (sSize < size) { Min = size; if (Min>Max) Max = 0; refreshDrawnSize(); } else if (sSize > size) { Max = size; if (Max sSize=%.2f dSize=%.2f Min=%.2f Max=%.2f\n", size, sSize, dSize, Min, Max); #endif // DEBUG } void setStandardSize(double size) { // set standard size (calculated from base counts) sSize = size; refreshDrawnSize(); } void setConstraints(double low, double high) { Min = low; Max = high; refreshDrawnSize(); } }; // --------------------- // SEC_oriented // --------------------- class SEC_base; class SEC_oriented { Angle rel_angle; mutable Angle abs_angle; mutable bool abs_angle_valid; const Angle& calc_abs_angle() const; const Angle& calc_rel_angle(); virtual SEC_base *get_parent() = 0; public: SEC_oriented() : abs_angle_valid(false) {} virtual ~SEC_oriented() {} virtual void invalidate_sub_angles() = 0; void invalidate(); // invalidates cached abs_angle of this and substructure const Angle& get_abs_angle() const { return abs_angle_valid ? abs_angle : calc_abs_angle(); } const Angle& get_rel_angle() const { return rel_angle; } void set_rel_angle(const Angle& rel) { rel_angle = rel; abs_angle_valid = false; invalidate_sub_angles(); } void set_abs_angle(const Angle& abs) { if (abs_angle_valid) { Angle diff = abs-get_abs_angle(); sec_assert(rel_angle.normal().is_normalized()); rel_angle += diff; abs_angle = abs; } else { abs_angle = abs; calc_rel_angle(); } invalidate_sub_angles(); } void mark_angle_absolute() { abs_angle = rel_angle; abs_angle_valid = true; } // used for root-loop (rel == abs!!) SEC_base *parent() { return get_parent(); } const SEC_base *parent() const { return const_cast(this)->get_parent(); } }; // ---------------------- // SEC_BASE_TYPE // ---------------------- enum SEC_BASE_TYPE { SEC_NO_TYPE = 0, SEC_LOOP = 1, SEC_HELIX = 2, SEC_ANY_TYPE = SEC_LOOP|SEC_HELIX, }; // ----------------- // SEC_base // ----------------- class SEC_base : public SEC_constrainted, public SEC_oriented, Noncopyable { // loop or helix SEC_root *root; virtual SEC_base *get_parent() = 0; public: SEC_base(SEC_root *Root) : root(Root) {} virtual ~SEC_base() {} virtual SEC_BASE_TYPE getType() const = 0; virtual const Position& get_fixpoint() const = 0; virtual void reset_angles() = 0; // resets all strand-loop angles (of substructure) virtual void orientationChanged() = 0; // recalc coordinates virtual void sizeChanged() = 0; // recalc size and coordinates AW_CL self() const { return (AW_CL)this; } SEC_root *get_root() const { return root; } }; class SEC_base_part : Noncopyable { // segment or strand SEC_region region; virtual SEC_base *get_parent() = 0; virtual SEC_base_part *get_next() = 0; public: SEC_base_part() : region(-1, -1) {} virtual ~SEC_base_part() {} SEC_base *parent() { return get_parent(); } const SEC_base *parent() const { return const_cast(this)->get_parent(); } AW_CL self() const { return parent()->self(); } SEC_root *get_root() const { return parent()->get_root(); } SEC_base_part *next() { return get_next(); } // iterates through whole structure const SEC_base_part *next() const { return const_cast(this)->get_next();} const SEC_region *get_region() const { return ®ion; } SEC_region *get_region() { return ®ion; } void set_sequence_portion(int start, int end) { get_region()->set_sequence_portion(start, end); } size_t getNextAbspos() const; }; // ------------------ // SEC_helix // ------------------ class SEC_helix_strand; class SEC_loop; class SEC_helix : public SEC_base { SEC_helix_strand *strand_to_root; size_t base_length; // max. # of bases in any strand SEC_base *get_parent(); public: SEC_helix(SEC_root *root, SEC_helix_strand *to_root, SEC_helix_strand *from_root); virtual ~SEC_helix() {} void calculate_helix_size(); void calculate_helix_coordinates(); // assumes root-side loop has correct coordinates void save(std::ostream & out, int indent, const XString& x_string); GB_ERROR read(std::istream & in, int version, double& old_angle_in); size_t get_base_length() { return base_length; } SEC_helix_strand *strandToRoot() const { return strand_to_root; } // strand pointing to root SEC_helix_strand *strandToOutside() const; // strand pointing away from root SEC_helix_strand *strandAwayFrom(const SEC_loop *loop) const; // strand pointing away from loop SEC_helix_strand *strandTowards(const SEC_loop *loop) const; // strand pointing to loop SEC_loop *otherLoop(const SEC_loop *loop) const; // returns the other loop SEC_loop *rootsideLoop() const; SEC_loop *outsideLoop() const; bool hasLoop(SEC_loop *loop) const { return loop == rootsideLoop() || loop == outsideLoop(); } void setFixpoints(const Position& rootside, const Position& outside); void flip(); void fixAngleBugs(int version); #if defined(CHECK_INTEGRITY) void check_integrity(SEC_CHECK_TYPE what) const; #endif // CHECK_INTEGRITY // SEC_oriented interface: void invalidate_sub_angles(); // SEC_base interface : SEC_BASE_TYPE getType() const { return SEC_HELIX; } void reset_angles(); const Position& get_fixpoint() const; void orientationChanged(); // recalc coordinates void sizeChanged(); // recalc size and coordinates }; // ------------------------- // SEC_helix_strand // ------------------------- class SEC_segment; class SEC_helix_strand : public SEC_base_part { friend class SEC_helix; SEC_loop *origin_loop; // Pointer to loop where strand comes from SEC_helix_strand *other_strand; SEC_helix *helix_info; // used by both strands SEC_segment *next_segment; // next segment in origin_loop //redundant values Position fixpoint; Position rightAttach, leftAttach; // rightAttach was ap1, leftAttach was ap2 void set_helix_info(SEC_helix *helix_info_) { helix_info = helix_info_; } void set_other_strand(SEC_helix_strand *other_strand_) { other_strand = other_strand_; } // SEC_base_part interface SEC_base *get_parent() { return helix_info; } SEC_base_part *get_next(); public: SEC_helix_strand(); virtual ~SEC_helix_strand(); GB_ERROR read(SEC_loop *loop_, std::istream & in, int version); void paint(AW_device *device); void unlink(bool fromOtherStrandAsWell); void paint_strands(AW_device *device, const Vector& strand_dir, const double& strand_length); void paint_constraints(AW_device *device); const SEC_root *get_root() const { return helix_info->get_root(); } SEC_root *get_root() { return helix_info->get_root(); } const SEC_helix *get_helix() const { return helix_info; } SEC_helix *get_helix() { return helix_info; } const SEC_helix_strand *get_other_strand() const { return other_strand; } SEC_helix_strand *get_other_strand() { return other_strand; } // fix- and attach points const Position& get_fixpoint() const { return fixpoint; } bool isRootsideFixpoint() const { return helix_info->strandToOutside() == this; } bool pointsToRoot() const { return !isRootsideFixpoint(); } bool pointsToOutside() const { return isRootsideFixpoint(); } bool is3end() const { return get_region()->get_sequence_start() > other_strand->get_region()->get_sequence_start(); } // Attach point (left/right when looking towards the strand from its origin loop) const Position& rightAttachPoint() const { return rightAttach; } const Position& leftAttachPoint() const { return leftAttach; } const Position& startAttachPoint() const { return leftAttach; } const Position& endAttachPoint() const { return other_strand->rightAttach; } int rightAttachAbspos() const { const SEC_region *reg = get_other_strand()->get_region(); int count = reg->get_base_count(); return reg->getBasePos(count ? count-1 : 0); } int leftAttachAbspos() const { return get_region()->getBasePos(0); } int startAttachAbspos() const { return leftAttachAbspos(); } int endAttachAbspos() const { return other_strand->rightAttachAbspos(); } void setFixpoint(const Position& p) { fixpoint = p; } void setAttachPoints(const Position& left, const Position& right) { rightAttach = right; leftAttach = left; } // interator methods const SEC_segment *get_next_segment() const { return next_segment; } SEC_segment *get_next_segment() { return next_segment; } SEC_segment * get_previous_segment(); // expensive! const SEC_loop *get_origin_loop() const { return origin_loop; } SEC_loop *get_origin_loop() { return origin_loop; } SEC_loop *get_destination_loop() { return get_other_strand()->get_origin_loop(); } SEC_loop *get_rootside_loop() { return isRootsideFixpoint() ? get_origin_loop() : get_destination_loop(); } void set_origin_loop(SEC_loop *loop_) { origin_loop = loop_; } void set_next_segment(SEC_segment *next_segment_) { next_segment=next_segment_; } #if defined(CHECK_INTEGRITY) void check_integrity(SEC_CHECK_TYPE what) const; #endif // CHECK_INTEGRITY }; // -------------------- // SEC_segment // -------------------- class SEC_segment : public SEC_base_part { private: double alpha; // angle of segment (i.e. how much of the loop is used by this segment) Position center1, center2; // segments are not circles, they are ellipsoids // center1 is used for rightAttach (of previous helix) // center2 is used for leftAttach (of next helix) SEC_helix_strand *next_helix_strand; // next helix strand after segment (pointing away from segments loop) SEC_loop *loop; // the loop containing 'this' // SEC_base_part interface SEC_base *get_parent(); SEC_base_part *get_next() { return get_next_strand(); } public: SEC_segment(); virtual ~SEC_segment(); void save(std::ostream & out, int indent, const XString& x_string); GB_ERROR read(SEC_loop *loop_,std::istream & in, int version); void calculate_segment_size(); void calculate_segment_coordinates(const Position& start, const Position& end); void paint(AW_device *device, SEC_helix_strand *previous_strand_pointer); void unlink(); void prepare_paint(SEC_helix_strand *previous_strand_pointer, double &gamma, double &eta, double &radius, int &base_count, double &angle_step); void mergeWith(SEC_segment *other, SEC_loop *target_loop); SEC_helix_strand *split(size_t start, size_t end, SEC_segment **new_segment); int is_endings_segment() { int seq_start = get_region()->get_sequence_start(); int seq_end = get_region()->get_sequence_end(); return seq_start>seq_end; } void delete_pointer_2(SEC_helix_strand *strand) { SEC_segment *segment = this; while (1) { SEC_helix_strand *next_strand = segment->next_helix_strand; if (!next_strand) break; if (next_strand == strand) { segment->next_helix_strand = NULL; break; } segment = next_strand->get_next_segment(); if (!segment || segment==this) { #if defined(DEBUG) printf("SEC_segment %p did not contain pointer to SEC_helix_strand %p\n", this, strand); #endif // DEBUG break; } } } SEC_helix_strand *get_previous_strand(); const SEC_helix_strand *get_next_strand() const { return next_helix_strand; } SEC_helix_strand *get_next_strand() { return next_helix_strand; } const SEC_loop *get_loop() const { return loop; } SEC_loop *get_loop() { return loop; } double get_alpha() { return alpha; } void set_next_strand(SEC_helix_strand *strand) { next_helix_strand = strand; } void set_loop(SEC_loop *loop_) { loop = loop_; } #if defined(CHECK_INTEGRITY) void check_integrity(SEC_CHECK_TYPE what) const; #endif // CHECK_INTEGRITY }; // ----------------- // SEC_loop // ----------------- class SEC_loop : public SEC_base { double Circumferance; // unit is in "segment-base-distances" Position center; // center point of loop SEC_helix_strand *primary_strand; // primary strand of loop // loop orientation points towards that strand // for non-root-loops, this strand points towards root void compute_circumferance(); void compute_radius(); SEC_base *get_parent() { return is_root_loop() ? 0 : get_rootside_helix(); } public: SEC_loop(SEC_root *root_); virtual ~SEC_loop(); void save(std::ostream & out, int indent, const XString& x_string); GB_ERROR read(SEC_helix_strand *rootside_strand, std::istream & in, int version, double loop_angle); void calculate_loop_size(); void calculate_loop_coordinates(); void paint(AW_device *device); void paint_constraints(AW_device *device); const Position& get_center() const { return center; } const double& get_circumferance() const { return Circumferance; } bool is_root_loop() const; SEC_helix_strand *get_rootside_strand() const { return is_root_loop() ? 0 : primary_strand; } SEC_helix *get_rootside_helix() const { return is_root_loop() ? 0 : primary_strand->get_helix(); } SEC_helix_strand *get_fixpoint_strand() const { return primary_strand; } SEC_helix *get_fixpoint_helix() const { return primary_strand->get_helix(); } void set_fixpoint_strand(SEC_helix_strand *strand) { primary_strand = strand; } // void flip_rootside_helices(SEC_helix_strand *new_fixpoint_strand, const Angle& new_rel_angle); void toggle_root(SEC_loop *root_loop); void set_center(const Position& p) { center = p; } void fixAngleBugs(int version); #if defined(CHECK_INTEGRITY) void check_integrity(SEC_CHECK_TYPE what) const; #endif // CHECK_INTEGRITY // SEC_oriented interface: void invalidate_sub_angles(); // SEC_base interface : SEC_BASE_TYPE getType() const { return SEC_LOOP; } void reset_angles(); const Position& get_fixpoint() const { // Note: does not return center for root-loop. SEC_helix *helix = get_fixpoint_helix(); return helix->strandAwayFrom(this)->get_fixpoint(); } void orientationChanged(); // recalc coordinates void sizeChanged(); // recalc size and coordinates }; // -------------------------- // SEC_displayParams // -------------------------- enum ShowBonds { SHOW_NO_BONDS = 0, SHOW_HELIX_BONDS = 1, SHOW_NHELIX_BONDS = 2, }; enum ShowCursorPos { SHOW_NO_CURPOS = 0, SHOW_ABS_CURPOS = 1, SHOW_ECOLI_CURPOS = 2, SHOW_BASE_CURPOS = 3, }; struct SEC_displayParams { bool show_helixNrs; // display helix number information? double distance_between_strands; // distance between strands (1.0 => strand distance == normal distance of bases in loop) ShowBonds show_bonds; // which bonds to show int bond_thickness; // linewidth for bonds bool hide_bases; // hide bases? ShowCursorPos show_curpos; // which position to show at cursor bool show_ecoli_pos; // show ecoli positions? bool display_search; // show search results bool display_sai; // visualize SAIs bool show_strSkeleton; // display the skeleton? int skeleton_thickness; bool edit_direction; // true = 5'->3', false = 5'<-3' #if defined(DEBUG) bool show_debug; // show debug info in structure display #endif // DEBUG void reread(AW_root *aw_root); }; // ----------------- // SEC_root // ----------------- class AWT_canvas; class SEC_drawn_positions; class SEC_db_interface; class SEC_graphic; enum SEC_bgpaint_mode { BG_PAINT_NONE = 0, BG_PAINT_FIRST = 1, BG_PAINT_SECOND = 2, BG_PAINT_BOTH = BG_PAINT_FIRST | BG_PAINT_SECOND, }; class SEC_root { SEC_loop *root_loop; int cursorAbsPos; // cursor position (-1 == unset) XString *xString; bool constructing; // whether structure is under construction or a complete ring-structure SEC_displayParams displayParams; SEC_db_interface *db; // ----------------------------- // updated before paint // ----------------------------- AW_font_group font_group; double char_radius[SEC_GC_DATA_COUNT]; // radius and.. double bg_linewidth[SEC_GC_DATA_COUNT]; // ..linewidth for drawing background (index = gc) Vector center_char[SEC_GC_FONT_COUNT]; // correction vector to center the base character at its position (world coordinates) char *bg_color; // only valid after paint (contains EDIT4 GCs), may be NULL Vector *autoscroll; // if non-zero, scroll canvas before next paint int nailedAbsPos; // if not -1, auto-scroll such that position does not move Position drawnAbsPos; // position where nailedAbsPos was drawn before // -------------------------- // valid after paint // -------------------------- SEC_drawn_positions *drawnPositions; // after paint this contains draw positions for every absolute position LineVector cursor_line; // main line of the cursor SEC_BASE_TYPE show_constraints; void paintHelixNumbers(AW_device *device); void paintEcoliPositions(AW_device *device); #if defined(PAINT_ABSOLUTE_POSITION) void showSomeAbsolutePositions(AW_device *device); #endif void fixStructureBugs(int version); void cacheBackgroundColor(); static bool hasBase(int pos, const char *seq, int len) { sec_assert(poscanDisplay(); } const BI_helix *get_helixDef() const { sec_assert(db); return db->helix(); } BI_PAIR_TYPE getBondtype(int abspos) { const BI_helix *h = get_helixDef(); return h ? h->pairtype(abspos) : HELIX_NONE; } const char *helixNrAt(int abspos) const { return get_helixDef()->helixNr(abspos); } const size_t *getHelixPositions(const char *helixNr) const; const double& get_char_radius(int gc) const { return char_radius[gc]; } void reread_display_params(AW_root *aw_root) { displayParams.reread(aw_root); } const SEC_displayParams& display_params() const { return displayParams; } bool has_xString() const { return xString; } const XString& get_xString() const { sec_assert(xString); return *xString; } #if defined(CHECK_INTEGRITY) void check_integrity(SEC_CHECK_TYPE what) const; #endif // CHECK_INTEGRITY // ------------------------------ void paintBackgroundColor(AW_device *device, SEC_bgpaint_mode mode, const Position& p1, int color1, int gc1, const Position& p2, int color2, int gc2, int skel_gc, AW_CL cd1, AW_CL cd2); void paintSearchPatternStrings(AW_device *device, int clickedPos, AW_pos xPos, AW_pos yPos); char *buildStructureString(); GB_ERROR read_data(const char *input_string, const char *x_string_in); void add_autoscroll(const Vector& scroll); void nail_position(size_t absPos); // re-position on absPos void nail_cursor(); // re-position on cursor void position_cursor(bool toCenter, bool evenIfVisible); // scroll/center cursor (screen-only) void set_cursor(int abspos, bool performRefresh); // sets new cursor position bool perform_autoscroll(); private: void calculate_size(); void calculate_coordinates(); public: #if defined(CHECK_INTEGRITY) void recalc() { check_integrity(static_cast(CHECK_STRUCTURE|CHECK_SIZE)); calculate_coordinates(); check_integrity(CHECK_POSITIONS); } void relayout() { check_integrity(CHECK_STRUCTURE); calculate_size(); check_integrity(CHECK_SIZE); calculate_coordinates(); check_integrity(CHECK_POSITIONS); } #else void recalc() { calculate_coordinates(); } void relayout() { calculate_size(); calculate_coordinates(); } #endif GB_ERROR split_loop(int start1, int end1, int start2, int end2); GB_ERROR paint(AW_device *device); GB_ERROR unsplit_loop(SEC_helix_strand *delete_strand); void set_root(SEC_loop *loop); void create_default_bone(); void generate_x_string(); void update_shown_positions(); bool shallDisplayPosition(int abspos) const { return db->shallDisplayPosition(abspos); } void invalidate_base_positions(); // force base counts of all regions to be refreshed int getBackgroundColor(int abspos) { return bg_color ? bg_color[abspos] : 0; } const Vector& get_center_char_vector(int gc) { sec_assert(gc >= SEC_GC_FIRST_FONT && gc <= SEC_GC_LAST_FONT); return center_char[gc]; } size_t max_index() { size_t len = db->length(); sec_assert(len); // zero len -> no index exists return len-1; } int get_cursor() const { return cursorAbsPos; } SEC_loop *get_root_loop() const { return root_loop; } void set_root_loop(SEC_loop *loop) { root_loop = loop; } SEC_BASE_TYPE get_show_constraints() { return show_constraints; } void set_show_constraints(SEC_BASE_TYPE show) { show_constraints = show; } void set_last_drawed_cursor_position(const LineVector& line) { cursor_line = line; } const LineVector& get_last_drawed_cursor_position() const { return cursor_line; } void clear_last_drawed_cursor_position() { set_last_drawed_cursor_position(LineVector()); } // invalidate cursor_line SEC_base_part *find(int pos); // find part containing position pos void announce_base_position(int base_pos, const Position& draw_pos); void clear_announced_positions(); const AW_font_group& get_font_group() const { return font_group; } // draw annotation to explicit coordinates (annotation is drawn "above" line left->right) void paintAnnotation(AW_device *device, int gc, const Position& annotate, const Position& left, const Position& right, double noteDistance, const char *text, bool lineToAnnotated, bool linesToLeftRight, bool boxText, AW_CL cd1, AW_CL cd2); // draw a annotation next to a base (only works after paint()) void paintPosAnnotation(AW_device *device, int gc, size_t absPos, const char *text, bool lineToBase, bool boxText); }; // -------------------------------------------------------------------------------- // inlines: // -------------------------------------------------------------------------------- inline void SEC_helix::flip() { strand_to_root = strand_to_root->get_other_strand(); } inline SEC_helix_strand *SEC_helix::strandToOutside() const { // strand pointing away from root return strandToRoot()->get_other_strand(); } inline SEC_helix_strand *SEC_helix::strandAwayFrom(const SEC_loop *loop) const { // strand pointing away from loop if (strandToRoot()->get_origin_loop() == loop) { return strandToRoot(); } sec_assert(strandToOutside()->get_origin_loop() == loop); return strandToOutside(); } inline SEC_helix_strand *SEC_helix::strandTowards(const SEC_loop *loop) const { // strand pointing to loop return strandAwayFrom(loop)->get_other_strand(); } inline SEC_loop *SEC_helix::otherLoop(const SEC_loop *loop) const { // returns loop on other side of strand return strandTowards(loop)->get_origin_loop(); } inline SEC_loop *SEC_helix::rootsideLoop() const { return strandToOutside()->get_origin_loop(); } inline SEC_loop *SEC_helix::outsideLoop() const { return strandToRoot()->get_origin_loop(); } inline const Position& SEC_helix::get_fixpoint() const { return strandToOutside()->get_fixpoint(); } inline void SEC_helix::setFixpoints(const Position& rootside, const Position& outside) { strandToRoot()->setFixpoint(outside); strandToOutside()->setFixpoint(rootside); } inline void SEC_helix::orientationChanged() { // recalc coordinates // we need to recalculate the rootside loop, cause changing the // helix-orientation affects the attached loop segments. SEC_loop *loop = rootsideLoop(); if (loop->is_root_loop()) { // at root-loop do a complete recalc // (fixpoint-strand is not relayouted otherwise) get_root()->recalc(); } else { #if defined(CHECK_INTEGRITY) loop->check_integrity(CHECK_STRUCTURE); loop->check_integrity(CHECK_SIZE); #endif // CHECK_INTEGRITY loop->calculate_loop_coordinates(); #if defined(CHECK_INTEGRITY) loop->check_integrity(CHECK_POSITIONS); #endif // CHECK_INTEGRITY } } inline void SEC_helix::sizeChanged() { // recalc size and coordinates #if defined(CHECK_INTEGRITY) check_integrity(CHECK_STRUCTURE); #endif // CHECK_INTEGRITY calculate_helix_size(); #if defined(CHECK_INTEGRITY) check_integrity(CHECK_SIZE); #endif // CHECK_INTEGRITY calculate_helix_coordinates(); #if defined(CHECK_INTEGRITY) check_integrity(CHECK_POSITIONS); #endif // CHECK_INTEGRITY } inline SEC_base *SEC_helix::get_parent() { return rootsideLoop(); } // -------------------- inline SEC_base_part *SEC_helix_strand::get_next() { return get_other_strand()->get_next_segment(); } // -------------------- inline bool SEC_loop::is_root_loop() const { return get_root()->get_root_loop() == this; } inline void SEC_loop::orientationChanged() { // recalc coordinates if (is_root_loop()) { get_root()->recalc(); } else { // loop center is calculated by helix, that is why we recalc the helix here SEC_helix *helix = get_fixpoint_helix(); #if defined(CHECK_INTEGRITY) helix->check_integrity(CHECK_STRUCTURE); helix->check_integrity(CHECK_SIZE); #endif // CHECK_INTEGRITY helix->calculate_helix_coordinates(); #if defined(CHECK_INTEGRITY) helix->check_integrity(CHECK_POSITIONS); #endif // CHECK_INTEGRITY } } inline void SEC_loop::sizeChanged() { // recalc size and coordinates if (is_root_loop()) { get_root()->relayout(); } else { SEC_helix *helix = get_fixpoint_helix(); #if defined(CHECK_INTEGRITY) helix->check_integrity(CHECK_STRUCTURE); #endif // CHECK_INTEGRITY helix->calculate_helix_size(); #if defined(CHECK_INTEGRITY) helix->check_integrity(CHECK_SIZE); #endif // CHECK_INTEGRITY helix->calculate_helix_coordinates(); #if defined(CHECK_INTEGRITY) helix->check_integrity(CHECK_POSITIONS); #endif // CHECK_INTEGRITY } } // -------------------- inline SEC_base *SEC_segment::get_parent() { return loop; } // -------------------- inline bool are_adjacent_regions(const SEC_region *reg1, const SEC_region *reg2) { int end1 = reg1->get_sequence_end(); int start2 = reg2->get_sequence_start(); if (end1 == start2) return true; return start2 == 0; } #else #error SEC_root.hxx included twice #endif ./arbsrc_9167/SECEDIT/SEC_split.cxx0000644012664100000130000004402411440743001016566 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_split.cxx // // Purpose : split/unsplit loops (aka fold/unfold helices) // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include "SEC_root.hxx" #include "SEC_drawn_pos.hxx" #include "SEC_iter.hxx" using namespace std; enum AngleBufferMode { BUFFER_ABSOLUTE_ANGLES, BUFFER_CENTER_RELATIVE, }; class AngleBuffer { // stores the absolute values of some SEC_oriented typedef std::map AngleMap; AngleMap angles; AngleBufferMode mode; Angle loop2helix(SEC_loop *loop, SEC_helix *helix) { return Angle(loop->get_center(), helix->strandAwayFrom(loop)->get_fixpoint()); } public: AngleBuffer(AngleBufferMode Mode) : mode(Mode) {} void store(SEC_helix *helix, SEC_loop *loop) { switch (mode) { case BUFFER_ABSOLUTE_ANGLES: angles[helix] = helix->get_abs_angle(); break; case BUFFER_CENTER_RELATIVE: angles[helix] = helix->get_abs_angle()-loop2helix(loop, helix); break; } } void set_angle(SEC_helix *helix, const Angle& angle) { angles[helix] = angle; } void restore(SEC_helix *helix, SEC_loop *loop) { switch (mode) { case BUFFER_ABSOLUTE_ANGLES: helix->set_abs_angle(angles[helix]); break; case BUFFER_CENTER_RELATIVE: if (helix->hasLoop(loop)) { helix->set_abs_angle(angles[helix]+loop2helix(loop, helix)); } break; } } void restoreAll(SEC_loop *loop) { AngleMap::iterator e = angles.end(); for (AngleMap::iterator a = angles.begin(); a != e; ++a) { restore(a->first, loop); } } void remove(SEC_helix *helix) { angles.erase(helix); } void storeAllHelices(SEC_loop *loop, SEC_helix *skip) { for (SEC_strand_iterator strand(loop); strand; ++strand) { SEC_helix *helix = strand->get_helix(); if (helix != skip) store(helix, loop); } } }; // -------------------- // moving root // -------------------- void SEC_loop::toggle_root(SEC_loop *old_root) { // make this the new root loop sec_assert(old_root != this); SEC_helix *mid_helix = get_rootside_helix(); // set root to loop behind mid_helix { SEC_loop *behind = mid_helix->rootsideLoop(); if (behind != old_root) { behind->toggle_root(old_root); old_root = behind; } } // store abs angles of all strands Angle midAngle = mid_helix->get_abs_angle(); AngleBuffer thisOldAbs(BUFFER_ABSOLUTE_ANGLES); AngleBuffer otherOldAbs(BUFFER_ABSOLUTE_ANGLES); thisOldAbs.storeAllHelices(this, mid_helix); otherOldAbs.storeAllHelices(old_root, mid_helix); // modify structure get_root()->set_root_loop(this); mid_helix->flip(); set_fixpoint_strand(mid_helix->strandAwayFrom(this)); old_root->set_fixpoint_strand(mid_helix->strandAwayFrom(old_root)); // calculate abs angles of loops and mid_helix set_rel_angle(Angle(center, get_fixpoint())); mark_angle_absolute(); // root-loop: rel == abs mid_helix->set_abs_angle(midAngle.rotate180deg()); old_root->set_abs_angle(Angle(old_root->get_fixpoint(), old_root->get_center())); // restore angles of other helices thisOldAbs.restoreAll(this); otherOldAbs.restoreAll(old_root); } void SEC_root::set_root(SEC_loop *loop) { SEC_loop *old_root = get_root_loop(); if (loop != old_root) { Vector new2old(loop->get_center(), old_root->get_center()); add_autoscroll(new2old); loop->toggle_root(old_root); recalc(); } } // --------------------------------- // search segment by abspos // --------------------------------- SEC_base_part *SEC_root::find(int pos) { SEC_helix_strand *start_strand = root_loop->get_fixpoint_strand(); SEC_helix_strand *strand = start_strand; do { SEC_region *reg = strand->get_region(); if (reg->contains_seq_position(pos)) return strand; SEC_helix_strand *other_strand = strand->get_other_strand(); SEC_region *oreg = other_strand->get_region(); SEC_segment *seg; if (SEC_region(reg->get_sequence_end(), oreg->get_sequence_start()).contains_seq_position(pos)) { seg = other_strand->get_next_segment(); } else { if (oreg->contains_seq_position(pos)) return other_strand; seg = strand->get_next_segment(); } if (seg->get_region()->contains_seq_position(pos)) return seg; strand = seg->get_next_strand(); } while (strand != start_strand); return 0; } inline SEC_segment *findSegmentContaining(SEC_root *root, int pos, GB_ERROR& error) { SEC_segment *result = 0; error = 0; SEC_base_part *found = root->find(pos); if (found) { if (found->parent()->getType() == SEC_LOOP) { result = static_cast(found); } else { error = GBS_global_string("Position %i not in a segment", pos); } } else { error = GBS_global_string("Position %i is outside allowed range", pos); } return result; } inline SEC_segment *findSegmentContaining(SEC_root *root, int start, int end, GB_ERROR& error) { // end is position behind questionable position error = 0; SEC_segment *start_segment = findSegmentContaining(root, start, error); if (start_segment) { SEC_segment *end_segment; if (end == start+1) { end_segment = start_segment;; } else { end_segment = findSegmentContaining(root, end-1, error); } if (end_segment) { if (end_segment != start_segment) { error = GBS_global_string("Positions %i and %i are in different segments", start, end); start_segment = 0; } } } sec_assert(!start_segment != !error); // either start_segment or error return start_segment; } // ------------------- // split loop // ------------------- GB_ERROR SEC_root::split_loop(int start1, int end1, int start2, int end2) { // end1/end2 are positions behind the helix-positions! sec_assert(start1start2) { return split_loop(start2, end2, start1, end1); } GB_ERROR error = 0; if (start2get_loop(); if (old_loop != seg2->get_loop()) { error = "Positions are in different loops (no tertiary structures possible)"; } else { SEC_loop *setRootTo = 0; // set root back afterwards? if (old_loop->is_root_loop()) { set_root(seg1->get_next_strand()->get_destination_loop()); // another loop setRootTo = old_loop; } AngleBuffer oldAngles(BUFFER_CENTER_RELATIVE); oldAngles.storeAllHelices(old_loop, 0); SEC_helix *new_helix = 0; SEC_loop *new_loop = 0; if (seg1 == seg2) { // split one segment // \ . // \ seg1 >>> . // seg1 \ strand1 .... // ______________ => \_________________. . seg2 // _________________. . // / .... // / strand2 // / seg3 <<< // / // // seg1 is the old segment SEC_helix_strand *strand1 = seg1->split(start1, end1, &seg2); SEC_helix_strand *strand2 = 0; SEC_segment *seg3 = 0; if (seg1->get_region()->contains_seq_position(start2)) { seg3 = seg2; strand2 = strand1; strand1 = seg1->split(start2, end2, &seg2); } else { sec_assert(seg2->get_region()->contains_seq_position(start2)); strand2 = seg2->split(start2, end2, &seg3); } sec_assert(are_adjacent_regions(seg1->get_region(), strand1->get_region())); sec_assert(are_adjacent_regions(strand1->get_region(), seg2->get_region())); sec_assert(are_adjacent_regions(seg2->get_region(), strand2->get_region())); sec_assert(are_adjacent_regions(strand2->get_region(), seg3->get_region())); new_helix = new SEC_helix(this, strand2, strand1); // strands are responsible for memory strand1->set_next_segment(seg3); strand2->set_next_segment(seg2); new_loop = new SEC_loop(this); seg2->set_loop(new_loop); strand2->set_origin_loop(new_loop); new_loop->set_fixpoint_strand(strand2); } else { // split two segments // \ / // seg1 \ seg1 >>> / // ______________ \ strand1 / seg3 // \_________________/ // => old_loop _________________ new_loop // ______________ / \ . // seg2 / strand2 \ seg2 // / seg4 <<< \ . // / \ . // // seg1 and seg2 are the old segments // maybe swap seg1/seg2 (to ensure fixpoint-strand stays in old loop) for (SEC_segment *s = seg1; s != seg2; ) { SEC_helix_strand *hs = s->get_next_strand(); if (!hs->isRootsideFixpoint()) { // fixpoint-strand is between seg1 -> seg2 // swap seg1<->seg2 swap(seg1, seg2); swap(start1, start2); swap(end1, end2); break; } s = hs->get_next_segment(); } SEC_segment *seg3; SEC_segment *seg4; SEC_helix_strand *strand1 = seg1->split(start1, end1, &seg3); SEC_helix_strand *strand2 = seg2->split(start2, end2, &seg4); new_helix = new SEC_helix(this, strand2, strand1); strand1->set_next_segment(seg4); strand2->set_next_segment(seg3); new_loop = new SEC_loop(this); for (SEC_segment *s = seg3; ; ) { s->set_loop(new_loop); SEC_helix_strand *h = s->get_next_strand(); h->set_origin_loop(new_loop); if (s == seg2) break; s = h->get_next_segment(); } new_loop->set_fixpoint_strand(strand2); } // set angles of new helix and new loop new_helix->set_rel_angle(0); // wrong, but relayout fails otherwise new_loop->set_rel_angle(0); relayout(); // correct angles of other helices oldAngles.restoreAll(new_loop); oldAngles.set_angle(new_helix, Angle(0)); oldAngles.restoreAll(old_loop); recalc(); if (setRootTo) { set_root(setRootTo); // restore root loop } } } } return error; } // ---------------------- // fold a strand // ---------------------- GB_ERROR SEC_root::unsplit_loop(SEC_helix_strand *remove_strand) { // // \ before[0] / after[1] // \ / // \ >>>> / // \ strand[0] / // \_________________/ // loop[0] _________________ loop[1] // / strand[1] \ . // / <<<< \ . // / \ . // / \ . // / after[0] \ before[1] // // The strands are removed and segments get connected. // One loop is deleted. GB_ERROR error = 0; SEC_helix_strand *strand[2] = { remove_strand, remove_strand->get_other_strand() }; SEC_segment *before[2], *after[2]; SEC_loop *loop[2]; #if defined(CHECK_INTEGRITY) check_integrity(CHECK_STRUCTURE); #endif // CHECK_INTEGRITY int s; for (s = 0; s<2; s++) { after[s] = strand[s]->get_next_segment(); before[s] = strand[s]->get_previous_segment(); loop[s] = strand[s]->get_origin_loop(); sec_assert(before[s]->get_loop() == loop[s]); sec_assert(after[s]->get_loop() == loop[s]); } bool is_terminal_loop[2] = { before[0] == after[0], before[1] == after[1] }; int i0 = -1; // index of terminal loop (or -1) bool unsplit = true; if (is_terminal_loop[0]) { if (is_terminal_loop[1]) { error = "You cannot delete the last helix"; unsplit = false; } else i0 = 0; } else { if (is_terminal_loop[1]) i0 = 1; } if (unsplit) { int del = i0 >= 0 ? i0 : 1; // index of loop which will be deleted SEC_loop *setRootTo = 0; // set root back to afterwards? { // move away root-loop to make things easy SEC_loop *rootLoop = get_root_loop(); if (loop[0] == rootLoop || loop[1] == rootLoop) { SEC_loop *termLoop = is_terminal_loop[0] ? loop[0] : loop[1]; SEC_helix_strand *toTerm = strand[0]->get_helix()->strandTowards(termLoop); SEC_helix_strand *toNextLoop = toTerm->get_next_segment()->get_next_strand(); SEC_loop *anotherLoop = toNextLoop->get_destination_loop(); sec_assert(anotherLoop != loop[0] && anotherLoop != loop[1]); set_root(anotherLoop); setRootTo = loop[1-del]; // afterwards set root back to non-deleted loop // recalc(); } } SEC_helix *removed_helix = strand[0]->get_helix(); AngleBuffer oldAngles(BUFFER_CENTER_RELATIVE); oldAngles.storeAllHelices(loop[0], removed_helix); oldAngles.storeAllHelices(loop[1], removed_helix); if (i0 >= 0) { // one loop is terminal // i0 and i1 are indexes 0 and 1 in picture above. // The left loop (loop[i0]) will be removed. int i1 = 1-i0; // index of non-terminal loop before[i1]->mergeWith(after[i1], loop[i1]); sec_assert(after[i0] == before[i0]); delete after[i0]; // delete the segment of the terminal-loop } else { // none of the loops is terminal // keep loop[0], delete loop[1] SEC_helix_strand *rootsideStrand = strand[0]->get_helix()->rootsideLoop()->get_rootside_strand(); before[1]->mergeWith(after[0], loop[0]); before[0]->mergeWith(after[1], loop[0]); // after[] segments are invalid now! // loop over all segments in loop[1] and relink them to loop[0] SEC_segment *seg = before[0]; while (seg != before[1]) { SEC_helix_strand *loop1_strand = seg->get_next_strand(); loop1_strand->set_origin_loop(loop[0]); seg = loop1_strand->get_next_segment(); seg->set_loop(loop[0]); } loop[0]->set_fixpoint_strand(rootsideStrand); } loop[del]->set_fixpoint_strand(NULL); delete loop[del]; for (s = 0; s<2; s++) strand[s]->unlink(false); delete strand[0]; // delete both strands relayout(); oldAngles.restoreAll(loop[1-del]); recalc(); if (setRootTo) set_root(setRootTo); } return error; } ./arbsrc_9167/SECEDIT/SEC_structure.cxx0000644012664100000130000003611211440743001017472 0ustar arb_buildcoders// =============================================================== // // // // File : SEC_structure.cxx // // Purpose : general implementation of classes in SEC_root.hxx // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include "SEC_root.hxx" #include "SEC_iter.hxx" using namespace std; // --------------------- // Constructors // --------------------- SEC_segment::SEC_segment() : alpha(0) , center1(Origin) , center2(Origin) , next_helix_strand(0) , loop(0) {} SEC_helix_strand::SEC_helix_strand() : origin_loop(0) , other_strand(0) , helix_info(0) , next_segment(0) , fixpoint(Origin) , rightAttach(Origin) , leftAttach(Origin) {} SEC_loop::SEC_loop(SEC_root *root_) : SEC_base(root_) , Circumferance(0) , center(0, 0) , primary_strand(0) {} SEC_helix::SEC_helix(SEC_root *root_, SEC_helix_strand *to_root, SEC_helix_strand *from_root) : SEC_base(root_) , strand_to_root(to_root) , base_length(0) { sec_assert(to_root->get_helix() == 0); sec_assert(from_root->get_helix() == 0); sec_assert(to_root->get_other_strand() == 0); sec_assert(from_root->get_other_strand() == 0); to_root->set_other_strand(from_root); from_root->set_other_strand(to_root); to_root->set_helix_info(this); from_root->set_helix_info(this); } SEC_root::SEC_root() : root_loop(0) , cursorAbsPos(-1) , xString(0) , constructing(false) , db(0) , bg_color(0) , autoscroll(0) , nailedAbsPos(-1) , drawnPositions(0) , cursor_line(LineVector(Origin, ZeroVector)) , show_constraints(SEC_NO_TYPE) { } void SEC_root::init(SEC_graphic *gfx, AWT_canvas *ntw) { // canvas = ntw; db = new SEC_db_interface(gfx, ntw); } // -------------------- // Destructors // -------------------- SEC_region::SEC_region(int start, int end) : sequence_start(start) , sequence_end(end) , baseCount(-1) , abspos_array(NULL) #if defined(DEBUG) , abspos_array_size(0) #endif // DEBUG { sec_assert((start == -1 && end == -1) || start != end); } SEC_region::~SEC_region() { invalidate_base_count(); // frees abspos_array delete [] abspos_array; } SEC_segment::~SEC_segment() { } SEC_helix_strand::~SEC_helix_strand() { if(next_segment != NULL) { next_segment->delete_pointer_2(this); } delete helix_info; if (other_strand != NULL) { if (other_strand->next_segment != NULL) { other_strand->next_segment->delete_pointer_2(other_strand); } other_strand->helix_info = NULL; other_strand->other_strand = NULL; other_strand->next_segment = NULL; delete other_strand; } delete origin_loop; } #define SEG_MAX 20 SEC_loop::~SEC_loop() { if (primary_strand) { sec_assert(get_root()->get_root_loop() != this); // collect all segments in an array SEC_segment *segment[SEG_MAX]; int i = 0; for (SEC_strand_iterator strand(this); strand; ++strand) { SEC_segment *seg = strand->get_next_segment(); if (seg) { sec_assert(i < SEG_MAX); sec_assert(seg->get_loop() == this); segment[i++] = seg; } } set_fixpoint_strand(NULL); // disconnect from loop // delete all strands connected to loop int j; for (j=0; jget_next_strand(); if (strand) { sec_assert(strand->get_origin_loop() == this); strand->set_origin_loop(NULL); delete strand; } } // delete all segments connected to loop for (j=0; j= 0); if (baseCount>0) { sec_assert(abspos_array || !root->get_db()->canDisplay()); } } } void SEC_segment::check_integrity(SEC_CHECK_TYPE what) const { if (what&CHECK_STRUCTURE) { sec_assert(next_helix_strand != 0); sec_assert(loop == parent()); } if (what&CHECK_SIZE) { sec_assert(alpha == alpha); sec_assert(alpha != 0); } if (what&CHECK_POSITIONS) { sec_assert(center1.valid()); sec_assert(center2.valid()); } get_region()->check_integrity(get_root(), what); } void SEC_helix_strand::check_integrity(SEC_CHECK_TYPE what) const { if (what&CHECK_STRUCTURE) { sec_assert(other_strand != this); sec_assert(other_strand->other_strand == this); sec_assert(helix_info); sec_assert(helix_info == other_strand->helix_info); sec_assert(parent() == helix_info); } if (what&CHECK_SIZE) { get_region()->get_base_count(); // asserts base count is up-to-date } if (what&CHECK_POSITIONS) { sec_assert(fixpoint.valid()); sec_assert(rightAttach.valid()); sec_assert(leftAttach.valid()); } get_region()->check_integrity(get_root(), what); } void SEC_helix::check_integrity(SEC_CHECK_TYPE what) const { sec_assert(strand_to_root); SEC_helix_strand *other_strand = strand_to_root->get_other_strand(); sec_assert(other_strand); if (what&CHECK_STRUCTURE) { sec_assert(strand_to_root->get_helix() == this); sec_assert(other_strand->get_other_strand() == strand_to_root); sec_assert(get_rel_angle().valid()); sec_assert(parent() == rootsideLoop()); } if (what&CHECK_SIZE) { sec_assert(base_length >= 1); sec_assert(drawnSize() >= 0); } strand_to_root->check_integrity(what); other_strand->check_integrity(what); } void SEC_loop::check_integrity(SEC_CHECK_TYPE what) const { int count = 0; int rootStrands = 0; if (what&CHECK_STRUCTURE) { sec_assert(primary_strand); sec_assert(primary_strand->get_origin_loop() == this); sec_assert(get_rel_angle().valid()); } for (SEC_strand_const_iterator strand(this); strand; ++strand) { if (what&CHECK_STRUCTURE) { sec_assert(this == strand->get_origin_loop()); } const SEC_helix *helix = strand->get_helix(); if (this == helix->rootsideLoop()) { // test outgoing helixes helix->check_integrity(what); } else { rootStrands++; } const SEC_segment *seg = strand->get_next_segment(); if (what&CHECK_STRUCTURE) { sec_assert(this == seg->get_loop()); } seg->check_integrity(what); count++; sec_assert(count<100); // more than 100 segments in one loop! assume error in structure! } if (what&CHECK_STRUCTURE) { if (is_root_loop()) { sec_assert(!rootStrands); sec_assert(primary_strand->pointsToOutside()); sec_assert(parent() == 0); } else { sec_assert(rootStrands); sec_assert(primary_strand->pointsToRoot()); sec_assert(parent() == get_rootside_helix()); } } if (what&CHECK_SIZE) { sec_assert(Circumferance>0); sec_assert(drawnSize()>0); } if (what&CHECK_POSITIONS) { sec_assert(center.valid()); if (is_root_loop()) { sec_assert(isOrigin(center)); } } // now recurse downwards for (SEC_strand_const_iterator strand(this); strand; ++strand) { SEC_loop *outsideLoop = strand->get_helix()->outsideLoop(); if (outsideLoop != this) outsideLoop->check_integrity(what); } } void SEC_root::check_integrity(SEC_CHECK_TYPE what) const { if (root_loop) { sec_assert(!under_construction()); // cannot check integrity, when structure is under construction root_loop->check_integrity(what); // check whether structure is a ring and whether regions are correct const SEC_base_part *start_part = root_loop->get_fixpoint_strand(); const SEC_base_part *part = start_part; const SEC_region *region = part->get_region(); int count = 0; do { const SEC_base_part *next_part = part->next(); const SEC_region *next_region = next_part->get_region(); sec_assert(are_adjacent_regions(region, next_region)); part = next_part; region = next_region; count++; sec_assert(count<10000); // structure does not seem to be a ring } while (part != start_part); } } #endif // CHECK_INTEGRITY // -------------------------------- // unlink strands/segments // -------------------------------- void SEC_helix_strand::unlink(bool fromOtherStrandAsWell) { // if called with fromOtherStrandAsWell == false, // the strand-pair remains deletable next_segment = NULL; origin_loop = NULL; if (fromOtherStrandAsWell) other_strand = NULL; } void SEC_segment::unlink(void) { next_helix_strand = NULL; } // ----------------------------- // split/merge segments // ----------------------------- SEC_helix_strand *SEC_segment::split(size_t start, size_t end, SEC_segment **segment2_ptr) { // split segment into 'segment1 - strand - segment2' // segment2 still points to same loop as 'this' (must be corrected by caller) // strand is a single strand (must be connected by caller) sec_assert(get_region()->contains_seq_position(start)); sec_assert(get_region()->contains_seq_position(end-1)); SEC_helix_strand *strand = new SEC_helix_strand; SEC_segment *segment2 = new SEC_segment; segment2->set_sequence_portion(end, get_region()->get_sequence_end()); strand->set_sequence_portion(start, end); set_sequence_portion(get_region()->get_sequence_start(), start); segment2->set_loop(get_loop()); // set to same loop as this (must be corrected later) strand->set_origin_loop(get_loop()); segment2->set_next_strand(get_next_strand()); set_next_strand(strand); *segment2_ptr = segment2; return strand; } void SEC_segment::mergeWith(SEC_segment *other, SEC_loop *target_loop) { set_sequence_portion(get_region()->get_sequence_start(), other->get_region()->get_sequence_end()); set_next_strand(other->get_next_strand()); set_loop(target_loop); delete other; } // --------------------- // Reset angles // --------------------- void SEC_loop::reset_angles() { for (SEC_strand_iterator strand(this); strand; ++strand) { if (strand->pointsToOutside()) { Angle abs(center, strand->get_fixpoint()); strand->get_helix()->set_abs_angle(abs); } } set_rel_angle(0); } void SEC_helix::reset_angles() { outsideLoop()->set_rel_angle(0); SEC_loop *rloop = rootsideLoop(); Angle toFix(rloop->get_center(), strandToOutside()->get_fixpoint()); set_abs_angle(toFix); } // -------------- // other // -------------- size_t SEC_base_part::getNextAbspos() const { // returns the next valid abspos const SEC_region *reg = get_region(); int start = reg->get_sequence_start(); if (start != reg->get_sequence_end()) { return start; } return next()->getNextAbspos(); } SEC_segment *SEC_helix_strand::get_previous_segment(void) { SEC_segment *segment_before; SEC_helix_strand *strand_pointer = next_segment->get_next_strand(); if (strand_pointer == this) { segment_before = next_segment; //we are in a loop with only one segment } else { while (strand_pointer != this) { segment_before = strand_pointer->get_next_segment(); strand_pointer = segment_before->get_next_strand(); } } return segment_before; } static void findLongestHelix(const BI_helix *helix, size_t& start1, size_t& end1, size_t& start2, size_t& end2) { const char *longestHelixNr = 0; size_t longestLength = 0; const char *lastHelixNr = 0; size_t lastHelixLen = 0; for (long pos = helix->first_pair_position(); pos != -1; pos = helix->next_pair_position(pos)) { const char *currHelixNr = helix->helixNr(size_t(pos)); if (currHelixNr != lastHelixNr) { if (lastHelixLen>longestLength) { longestLength = lastHelixLen; longestHelixNr = lastHelixNr; } lastHelixNr = currHelixNr; lastHelixLen = 1; } else { lastHelixLen++; } } if (lastHelixLen>longestLength) { longestLength = lastHelixLen; longestHelixNr = lastHelixNr; } sec_assert(longestHelixNr); start1 = helix->first_position(longestHelixNr); end1 = helix->last_position(longestHelixNr); start2 = helix->opposite_position(end1); end2 = helix->opposite_position(start1); } void SEC_root::create_default_bone() { // create default structure set_under_construction(true); SEC_loop *loop1 = new SEC_loop(this); SEC_loop *loop2 = new SEC_loop(this); set_root_loop(loop1); SEC_segment *segment1 = new SEC_segment; SEC_segment *segment2 = new SEC_segment; segment1->set_loop(loop1); segment2->set_loop(loop2); SEC_helix_strand *strand1 = new SEC_helix_strand; SEC_helix_strand *strand2 = new SEC_helix_strand; loop1->set_fixpoint_strand(strand1); loop2->set_fixpoint_strand(strand2); segment1->set_next_strand(strand1); segment2->set_next_strand(strand2); strand1->set_origin_loop(loop1); strand2->set_origin_loop(loop2); SEC_helix *helix = new SEC_helix(this, strand1, strand2); strand1->set_next_segment(segment1); strand2->set_next_segment(segment2); size_t start1, end1, start2, end2; findLongestHelix(get_helixDef(), start1, end1, start2, end2); strand1->set_sequence_portion(start1, end1+1); segment2->set_sequence_portion(end1+1, start2); strand2->set_sequence_portion(start2, end2+1); segment1->set_sequence_portion(end2+1, start1); root_loop = helix->rootsideLoop(); loop1->set_rel_angle(0); loop2->set_rel_angle(0); helix->set_rel_angle(0); root_loop->mark_angle_absolute(); root_loop->set_center(Origin); set_under_construction(false); delete xString; xString = 0; generate_x_string(); relayout(); } ./arbsrc_9167/SECEDIT/SEC_toggle.cxx0000644012664100000130000001510011440743001016705 0ustar arb_buildcoders// ================================================================= // // // // File : SEC_toggle.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================= // #include "SEC_toggle.hxx" #include "SEC_graphic.hxx" #include "SEC_defs.hxx" #include #include #include using namespace std; GB_ERROR SEC_structure_toggler::store(GBDATA *gb_struct) { char *data = 0; char *xstring = 0; GB_ERROR error = gfx->read_data_from_db(&data, &xstring); if (!error) error = GBT_write_string(gb_struct, "data", data); if (!error) error = GBT_write_string(gb_struct, "ref", xstring); free(xstring); free(data); return error; } GB_ERROR SEC_structure_toggler::restore(GBDATA *gb_struct) { char *data = 0; char *xstring = 0; GB_ERROR error = 0; GBDATA *gb_data = GB_search(gb_struct, "data", GB_FIND); if (gb_data) data = GB_read_string(gb_data); if (!data) error = GB_await_error(); if (!error) { GBDATA *gb_ref = GB_search(gb_struct, "ref", GB_FIND); if (gb_ref) xstring = GB_read_string(gb_ref); if (!xstring) error = GB_await_error(); } if (!error) { sec_assert(data && xstring); error = gfx->write_data_to_db(data, xstring); } free(xstring); free(data); return error; } int SEC_structure_toggler::current() { return *GBT_read_int(gb_structures, "current"); } GB_ERROR SEC_structure_toggler::set_current(int idx) { GBDATA *gb_num = GB_search(gb_structures, "current", GB_INT); GB_ERROR error; if (!gb_num) error = GB_await_error(); else { sec_assert(find(idx)); // oops - nonexisting container error = GB_write_int(gb_num, idx); } return error; } GBDATA *SEC_structure_toggler::find(int num) { int cnt = 0; GBDATA *gb_found = GB_entry(gb_structures, "struct"); while (gb_found && num>0) { cnt++; num--; gb_found = GB_nextEntry(gb_found); } if (!gb_found) Count = cnt; // seen all -> set count return gb_found; } GBDATA *SEC_structure_toggler::create(const char *structure_name) { sec_assert(!st_error); if (st_error) return 0; GBDATA *gb_new = GB_create_container(gb_structures, "struct"); if (!gb_new) st_error = GB_await_error(); else { st_error = setName(gb_new, structure_name); if (!st_error) st_error = store(gb_new); if (!st_error) st_error = set_current(Count); if (!st_error) { gb_current = gb_new; sec_assert(find(current()) == gb_current); Count++; } } return gb_new; } // -------------------------------------------------------------------------------- // public SEC_structure_toggler::SEC_structure_toggler(GBDATA *gb_main, const char *ali_name, SEC_graphic *Gfx) : gfx(Gfx) , st_error(0) , Count(0) { GB_transaction ta(gb_main); gb_structures = GB_search(gb_main, GBS_global_string("secedit/structs/%s", ali_name), GB_CREATE_CONTAINER); if (!gb_structures) { st_error = GB_await_error(); gb_current = 0; } else { find(INT_MAX); // sets Count if (Count == 0) { // init gb_current = create(ali_name); st_error = set_current(0); } else { int curr = current(); if (curr reset st_error = set_current(0); gb_current = find(0); } } sec_assert(gb_current); } } GB_ERROR SEC_structure_toggler::next() { GB_ERROR error = 0; GB_transaction ta(gb_structures); if (Count<2) { error = "No other structure in DB"; } else { int nextNum = current()+1; if (nextNum >= Count) nextNum = 0; sec_assert(find(current()) == gb_current); error = store(gb_current); if (!error) error = set_current(nextNum); if (!error) { gb_current = find(nextNum); if (!gb_current) { error = GBS_global_string("Failed to find structure #%i", nextNum); } else { error = restore(gb_current); } } } return ta.close(error); } GB_ERROR SEC_structure_toggler::copyTo(const char *structure_name) { GB_ERROR error = 0; GB_transaction ta(gb_structures); sec_assert(find(current()) == gb_current); error = store(gb_current); if (!error) { GBDATA *gb_new = create(structure_name); if (!gb_new) { sec_assert(st_error); error = st_error; } else { gb_current = gb_new; } } sec_assert(error || (find(current()) == gb_current)); return ta.close(error); } GB_ERROR SEC_structure_toggler::remove() { GB_ERROR error = 0; GB_transaction ta(gb_structures); sec_assert(Count > 1); GBDATA *gb_del = gb_current; int del = current(); error = next(); if (!error) { int curr = current(); error = GB_delete(gb_del); if (!error) { Count--; if (curr >= del) error = set_current(curr-1); } } return ta.close(error); } const char *SEC_structure_toggler::name() { const char *structure_name = 0; GB_transaction ta(gb_structures); GBDATA *gb_name = GB_search(gb_current, "name", GB_FIND); if (gb_name) structure_name = GB_read_char_pntr(gb_name); if (!structure_name) st_error = GB_await_error(); st_error = ta.close(st_error); return structure_name; } GB_ERROR SEC_structure_toggler::setName(GBDATA *gb_struct, const char *new_name) { return GBT_write_string(gb_struct, "name", new_name); } GB_ERROR SEC_structure_toggler::setName(const char *new_name) { GB_transaction ta(gb_structures); GB_ERROR error = setName(gb_current, new_name); return ta.close(error); } ./arbsrc_9167/SECEDIT/SEC_toggle.hxx0000644012664100000130000000351411440743001016720 0ustar arb_buildcoders// ================================================================= // // // // File : SEC_toggle.hxx // // Purpose : Support for multiple structure // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================= // #ifndef SEC_TOGGLE_HXX #define SEC_TOGGLE_HXX #ifndef ARBDB_H #include #endif class SEC_graphic; class SEC_structure_toggler { GBDATA *gb_structures; // contains all structures GBDATA *gb_current; // contains current structure SEC_graphic *gfx; // needed to trigger refresh GB_ERROR st_error; int Count; int current(); GB_ERROR set_current(int idx) __ATTR__USERESULT; GBDATA *find(int num); GBDATA *create(const char *name); // create new structure (storing current) GB_ERROR store(GBDATA *gb_struct); GB_ERROR restore(GBDATA *gb_struct); GB_ERROR setName(GBDATA *gb_struct, const char *new_name); public: SEC_structure_toggler(GBDATA *gb_main, const char *ali_name, SEC_graphic *Gfx); // might set error GB_ERROR get_error() const { return st_error; } GB_ERROR next(); GB_ERROR copyTo(const char *name); GB_ERROR remove(); const char *name(); GB_ERROR setName(const char *new_name); int getCount() const { return Count; } }; #else #error SEC_toggle.hxx included twice #endif // SEC_TOGGLE_HXX ./arbsrc_9167/SECEDIT/structure_format_versions.txt0000644012664100000130000000155011213220015022304 0ustar arb_buildcoders ---------------------------------------------------------- Some notes on different structure format versions: ---------------------------------------------------------- * Since version 3 a VERSION entry is present * Root loop angle: * version 1 had none * version 2 had one and it pointed to the first segment * version 3 has none (angle of root-loop is always handled as absolute angle) * order of SEGMENTs and STRANDs in LOOPS: * normal loops always start and end with a SEGMENT * root-loop: * version 1+2 ended with a strand * version 3 starts with a strand (the fixpoint strand) * angles * version 1 only DELTA * version 2 had DELTA and DELTA_IN (loop->strand-angle (rootside) and reverse strand<-loop-angle (outside)) * version 3 has REL entries in STRAND _and_ LOOP. These angles are relative to angle of father element. ./arbsrc_9167/SEQ_QUALITY/Makefile0000644012664100000130000000620111440742777016453 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = SQ_main.o SQ_functions.o SQ_GroupData.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl SQ_functions.o: SQ_ambiguities.h SQ_functions.o: SQ_functions.h SQ_functions.o: SQ_GroupData.h SQ_functions.o: SQ_helix.h SQ_functions.o: SQ_physical_layout.h SQ_functions.o: $(ARBHOME)/INCLUDE/ad_k_prot.h SQ_functions.o: $(ARBHOME)/INCLUDE/ad_prot.h SQ_functions.o: $(ARBHOME)/INCLUDE/ad_t_prot.h SQ_functions.o: $(ARBHOME)/INCLUDE/arb_assert.h SQ_functions.o: $(ARBHOME)/INCLUDE/arbdb.h SQ_functions.o: $(ARBHOME)/INCLUDE/arbdb_base.h SQ_functions.o: $(ARBHOME)/INCLUDE/arbdbt.h SQ_functions.o: $(ARBHOME)/INCLUDE/attributes.h SQ_functions.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/aw_device.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/aw_position.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/aw_preset.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/aw_root.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/aw_window.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/awt.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/awt_iupac.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/awt_tree.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/BI_helix.hxx SQ_functions.o: $(ARBHOME)/INCLUDE/smartptr.h SQ_GroupData.o: SQ_GroupData.h SQ_GroupData.o: $(ARBHOME)/INCLUDE/ad_k_prot.h SQ_GroupData.o: $(ARBHOME)/INCLUDE/arb_assert.h SQ_GroupData.o: $(ARBHOME)/INCLUDE/arbdb_base.h SQ_GroupData.o: $(ARBHOME)/INCLUDE/attributes.h SQ_main.o: ../AWT/awtfilter.hxx SQ_main.o: seq_quality.h SQ_main.o: SQ_functions.h SQ_main.o: SQ_GroupData.h SQ_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h SQ_main.o: $(ARBHOME)/INCLUDE/ad_prot.h SQ_main.o: $(ARBHOME)/INCLUDE/ad_t_prot.h SQ_main.o: $(ARBHOME)/INCLUDE/arb_assert.h SQ_main.o: $(ARBHOME)/INCLUDE/arbdb.h SQ_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h SQ_main.o: $(ARBHOME)/INCLUDE/arbdbt.h SQ_main.o: $(ARBHOME)/INCLUDE/attributes.h SQ_main.o: $(ARBHOME)/INCLUDE/aw_awars.hxx SQ_main.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx SQ_main.o: $(ARBHOME)/INCLUDE/aw_device.hxx SQ_main.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx SQ_main.o: $(ARBHOME)/INCLUDE/aw_position.hxx SQ_main.o: $(ARBHOME)/INCLUDE/aw_root.hxx SQ_main.o: $(ARBHOME)/INCLUDE/aw_window.hxx SQ_main.o: $(ARBHOME)/INCLUDE/awt.hxx SQ_main.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx SQ_main.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx SQ_main.o: $(ARBHOME)/INCLUDE/awt_tree.hxx SQ_main.o: $(ARBHOME)/INCLUDE/smartptr.h ./arbsrc_9167/SEQ_QUALITY/seq_quality.h0000644012664100000130000000222611440742777017527 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_quality.h // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef SEQ_QUALITY_H #define SEQ_QUALITY_H void SQ_create_awars(AW_root * awr, AW_default aw_def); AW_window *SQ_create_seq_quality_window(AW_root * aw_root, AW_CL); #else #error seq_quality.h included twice #endif // SEQ_QUALITY_H ./arbsrc_9167/SEQ_QUALITY/SQ_ambiguities.h0000644012664100000130000000640611440742777020100 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_ambiguities.h // // Purpose : Class used for evaluation of iupac ambiguities // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include "awt_iupac.hxx" #ifndef ARB_ASSERT_H #include #endif #define seq_assert(bed) arb_assert(bed) class SQ_ambiguities { public: SQ_ambiguities(); void SQ_count_ambiguities(const char *iupac, int length, GBDATA * gb_quality); int SQ_get_nr_ambiguities() const; int SQ_get_percent_ambiguities() const; int SQ_get_iupac_value() const; private: int number; int percent; int iupac_value; }; inline SQ_ambiguities::SQ_ambiguities() { number = 0; percent = 0; iupac_value = 0; } void SQ_ambiguities::SQ_count_ambiguities(const char *iupac, int length, GBDATA * gb_quality) { char c; for (int i = 0; i < length; i++) { c = iupac[i]; switch (c) { case 'R': number++; iupac_value = iupac_value + 2; break; case 'Y': number++; iupac_value = iupac_value + 3; break; case 'M': number++; iupac_value = iupac_value + 2; break; case 'K': number++; iupac_value = iupac_value + 3; break; case 'W': number++; iupac_value = iupac_value + 3; break; case 'S': number++; iupac_value = iupac_value + 2; break; case 'B': number++; iupac_value = iupac_value + 4; break; case 'D': number++; iupac_value = iupac_value + 4; break; case 'H': number++; iupac_value = iupac_value + 4; break; case 'V': number++; iupac_value = iupac_value + 3; break; case 'N': number++; iupac_value = iupac_value + 5; break; } } percent = (100 * number) / length; GBDATA *gb_result1 = GB_search(gb_quality, "iupac_value", GB_INT); seq_assert(gb_result1); GB_write_int(gb_result1, iupac_value); } inline int SQ_ambiguities::SQ_get_nr_ambiguities() const { return number; } inline int SQ_ambiguities::SQ_get_percent_ambiguities() const { return percent; } inline int SQ_ambiguities::SQ_get_iupac_value() const { return iupac_value; } ./arbsrc_9167/SEQ_QUALITY/SQ_functions.cxx0000644012664100000130000013575611440742777020174 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_functions.cxx // // Purpose : Implementation of SQ_functions.h // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include #include #include #include #include "arbdb.h" #include "arbdbt.h" #include #include #include #include #include #include #include "SQ_GroupData.h" #include "SQ_ambiguities.h" #include "SQ_helix.h" #include "SQ_physical_layout.h" #include "SQ_functions.h" using namespace std; static SQ_GroupDataDictionary group_dict; static int globalcounter = -1; static int groupcounter = -1; static int globalcounter_notree = 0; static int pass1_counter_notree = 0; static int pass2_counter_notree = 0; enum { CS_CLEAR, CS_PASS1 }; void SQ_clear_group_dictionary() { SQ_GroupDataDictionary tmp; swap(tmp, group_dict); } static GB_ERROR no_data_error(GBDATA * gb_species, const char *ali_name) { GBDATA *gb_name = GB_entry(gb_species, "name"); const char *name = ""; if (gb_name) name = GB_read_char_pntr(gb_name); return GBS_global_string("Species '%s' has no data in alignment '%s'", name, ali_name); } static int sq_round(double value) { int x; value += 0.5; x = (int) floor(value); return x; } GB_ERROR SQ_reset_quality_calcstate(GBDATA * gb_main) { GB_push_transaction(gb_main); GB_ERROR error = NULL; char *alignment_name = GBT_get_default_alignment(gb_main); for (GBDATA * gb_species = GBT_first_species(gb_main); gb_species && !error; gb_species = GBT_next_species(gb_species)) { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (!gb_quality) error = GB_get_error(); else { GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (!gb_quality_ali) { error = no_data_error(gb_quality, alignment_name); } else { GBDATA *gb_calcstate = GB_search(gb_quality_ali, "calcstate", GB_INT); if (!gb_calcstate) error = GB_get_error(); else { GB_write_int(gb_calcstate, CS_CLEAR); // clear calculation state } } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } GB_ERROR SQ_remove_quality_entries(GBDATA *gb_main) { GB_push_transaction(gb_main); GB_ERROR error= NULL; for (GBDATA *gb_species = GBT_first_species(gb_main); gb_species && !error; gb_species = GBT_next_species(gb_species)) { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_FIND); if (gb_quality) error = GB_delete(gb_quality); } if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } int SQ_get_value(GBDATA * gb_main, const char *option) { int result = 0; char *alignment_name; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); /*marked_only */ getFirst = GBT_first_marked_species; getNext = GBT_next_marked_species; for (gb_species = getFirst(gb_main); gb_species; gb_species = getNext(gb_species)) { gb_name = GB_entry(gb_species, "name"); if (gb_name) { GBDATA *gb_quality = GB_entry(gb_species, "quality"); if (gb_quality) { GBDATA *gb_quality_ali = GB_entry(gb_quality, alignment_name); if (gb_quality_ali) { GBDATA *gb_result1 = GB_search(gb_quality_ali, option, GB_INT); result = GB_read_int(gb_result1); } } } } free(alignment_name); GB_pop_transaction(gb_main); return result; } int SQ_get_value_no_tree(GBDATA * gb_main, const char *option) { int result = 0; char *alignment_name; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); /*marked_only */ getFirst = GBT_first_marked_species; getNext = GBT_next_marked_species; for (gb_species = getFirst(gb_main); gb_species; gb_species = getNext(gb_species)) { gb_name = GB_entry(gb_species, "name"); if (gb_name) { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); if (gb_ali) read_sequence = GB_entry(gb_ali, "data"); GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (gb_quality && read_sequence) { GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (gb_quality_ali) { GBDATA *gb_result1 = GB_search(gb_quality_ali, option, GB_INT); result = GB_read_int(gb_result1); } } } } free(alignment_name); GB_pop_transaction(gb_main); return result; } GB_ERROR SQ_evaluate(GBDATA * gb_main, const SQ_weights & weights, bool marked_only) { char *alignment_name; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); if (marked_only) { getFirst = GBT_first_marked_species; getNext = GBT_next_marked_species; } else { getFirst = GBT_first_species; getNext = GBT_next_species; } for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { gb_name = GB_entry(gb_species, "name"); if (!gb_name) error = GB_get_error(); else { GBDATA *gb_quality = GB_entry(gb_species, "quality"); if (gb_quality) { GBDATA *gb_quality_ali = GB_entry(gb_quality, alignment_name); if (!gb_quality_ali) { error = GBS_global_string("No alignment entry '%s' in quality data", alignment_name); } else { int bases = 0; int dfa = 0; int noh = 0; int cos = 0; int iupv = 0; int gcprop = 0; int value2 = 0; double value = 0; double result = 0; //evaluate the percentage of bases the actual sequence consists of GBDATA *gb_result1 = GB_search(gb_quality_ali, "percent_of_bases", GB_INT); bases = GB_read_int(gb_result1); if (bases < 4) result = 0; else { if (bases < 6) result = 1; else { result = 2; } } if (result != 0) result = (result * weights.bases) / 2; value += result; //evaluate the difference in number of bases from sequence to group GBDATA *gb_result2 = GB_search(gb_quality_ali, "percent_base_deviation", GB_INT); dfa = GB_read_int(gb_result2); if (abs(dfa) < 2) result = 5; else { if (abs(dfa) < 4) result = 4; else { if (abs(dfa) < 6) result = 3; else { if (abs(dfa) < 8) result = 2; else { if (abs(dfa) < 10) result = 1; else { result = 0; } } } } } if (result != 0) result = (result * weights.diff_from_average) / 5; value += result; //evaluate the number of positions where no helix can be built GBDATA *gb_result3 = GB_search(gb_quality_ali, "number_of_no_helix", GB_INT); noh = GB_read_int(gb_result3); if (noh < 20) result = 5; else { if (noh < 50) result = 4; else { if (noh < 125) result = 3; else { if (noh < 250) result = 2; else { if (noh < 500) result = 1; else { result = 0; } } } } } if (result != 0) result = (result * weights.helix) / 5; value += result; //evaluate the consensus GBDATA *gb_result4 = GB_search(gb_quality_ali, "consensus_evaluated", GB_INT); cos = GB_read_int(gb_result4); result = cos; if (result != 0) result = (result * weights.consensus) / 12; value += result; //evaluate the number of iupacs in a sequence GBDATA *gb_result5 = GB_search(gb_quality_ali, "iupac_value", GB_INT); iupv = GB_read_int(gb_result5); if (iupv < 1) result = 3; else { if (iupv < 5) result = 2; else { if (iupv < 10) result = 1; else { result = 0; } } } if (result != 0) result = (result * weights.iupac) / 3; value += result; //evaluate the difference in the GC proportion from sequence to group GBDATA *gb_result6 = GB_search(gb_quality_ali, "percent_GC_difference", GB_INT); gcprop = GB_read_int(gb_result6); if (abs(gcprop) < 1) result = 5; else { if (abs(gcprop) < 2) result = 4; else { if (abs(gcprop) < 4) result = 3; else { if (abs(gcprop) < 8) result = 2; else { if (abs(gcprop) < 16) result = 1; else { result = 0; } } } } } if (result != 0) result = (result * weights.gc) / 5; value += result; /*write the final value of the evaluation */ value2 = sq_round(value); GBDATA *gb_result7 = GB_search(gb_quality_ali, "evaluation", GB_INT); seq_assert(gb_result7); GB_write_int(gb_result7, value2); } } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } char *SQ_fetch_filtered_sequence(GBDATA * read_sequence, AP_filter * filter) { if (!read_sequence) return 0; const char *rawSequence = GB_read_char_pntr(read_sequence); int filteredLength = filter->real_len; if (filter->filterpos_2_seqpos == 0) filter->calc_filter_2_seq(); char *filteredSequence = (char *) malloc(filteredLength * sizeof(char)); if (filteredSequence) { for (int i = 0; i < filteredLength; ++i) { filteredSequence[i] = rawSequence[filter->filterpos_2_seqpos[i]]; } } return filteredSequence; } GB_ERROR SQ_pass1(SQ_GroupData * globalData, GBDATA * gb_main, GBT_TREE * node, AP_filter * filter) { char *alignment_name; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); gb_species = node->gb_node; gb_name = GB_entry(gb_species, "name"); if (!gb_name) error = GB_get_error(); else { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); if (!gb_ali) { error = no_data_error(gb_species, alignment_name); } else { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (!gb_quality) { error = GB_get_error(); } read_sequence = GB_entry(gb_ali, "data"); GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (!gb_quality_ali) error = GB_get_error(); /*real calculations start here */ if (read_sequence) { char *rawSequence = SQ_fetch_filtered_sequence(read_sequence, filter); int sequenceLength = filter->real_len; /*calculate physical layout of sequence */ { SQ_physical_layout ps_chan; ps_chan.SQ_calc_physical_layout(rawSequence, sequenceLength, gb_quality_ali); /*calculate the average number of bases in group */ globalData->SQ_count_sequences(); globalData->SQ_set_avg_bases(ps_chan. SQ_get_number_of_bases()); globalData->SQ_set_avg_gc(ps_chan. SQ_get_gc_proportion()); } /*get values for ambiguities */ { SQ_ambiguities ambi_chan; ambi_chan.SQ_count_ambiguities(rawSequence, sequenceLength, gb_quality_ali); } /*calculate the number of strong, weak and no helixes */ { SQ_helix heli_chan(sequenceLength); heli_chan.SQ_calc_helix_layout(rawSequence, gb_main, alignment_name, gb_quality_ali, filter); } /*calculate consensus sequence */ { if (!globalData->SQ_is_initialized()) { globalData->SQ_init_consensus(sequenceLength); } globalData->SQ_add_sequence(rawSequence); } delete(rawSequence); } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } GB_ERROR SQ_pass1_no_tree(SQ_GroupData * globalData, GBDATA * gb_main, AP_filter * filter) { char *alignment_name; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); getFirst = GBT_first_species; getNext = GBT_next_species; /*first pass operations */ for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { gb_name = GB_entry(gb_species, "name"); if (!gb_name) error = GB_get_error(); else { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); if (!gb_ali) { error = no_data_error(gb_species, alignment_name); } else { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (!gb_quality) { error = GB_get_error(); } read_sequence = GB_entry(gb_ali, "data"); GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (!gb_quality_ali) error = GB_get_error(); /*real calculations start here */ if (read_sequence) { char *rawSequence = SQ_fetch_filtered_sequence( read_sequence, filter); int sequenceLength = filter->real_len; /*calculate physical layout of sequence */ SQ_physical_layout *ps_chan = new SQ_physical_layout(); ps_chan->SQ_calc_physical_layout(rawSequence, sequenceLength, gb_quality_ali); /*calculate the average number of bases in group */ globalData->SQ_count_sequences(); globalData->SQ_set_avg_bases(ps_chan-> SQ_get_number_of_bases()); globalData->SQ_set_avg_gc(ps_chan-> SQ_get_gc_proportion()); delete ps_chan; /*get values for ambiguities */ SQ_ambiguities *ambi_chan = new SQ_ambiguities(); ambi_chan->SQ_count_ambiguities(rawSequence, sequenceLength, gb_quality_ali); delete ambi_chan; /*claculate the number of strong, weak and no helixes */ SQ_helix *heli_chan = new SQ_helix(sequenceLength); heli_chan->SQ_calc_helix_layout(rawSequence, gb_main, alignment_name, gb_quality_ali, filter); delete heli_chan; /*calculate consensus sequence */ { if (!globalData->SQ_is_initialized()) { globalData->SQ_init_consensus(sequenceLength); } globalData->SQ_add_sequence(rawSequence); } pass1_counter_notree++; aw_status((double) pass1_counter_notree / (double) globalcounter_notree); delete(rawSequence); } } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } GB_ERROR SQ_pass2(const SQ_GroupData * globalData, GBDATA * gb_main, GBT_TREE * node, AP_filter * filter) { char *alignment_name; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); gb_species = node->gb_node; gb_name = GB_entry(gb_species, "name"); if (!gb_name) error = GB_get_error(); else { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); if (!gb_ali) { error = no_data_error(gb_species, alignment_name); } else { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (!gb_quality) error = GB_get_error(); GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (!gb_quality_ali) error = GB_get_error(); read_sequence = GB_entry(gb_ali, "data"); /*real calculations start here */ if (read_sequence) { double value1 = 0; double value2 = 0; double eval = 0; int value3 = 0; int evaluation = 0; int bases = 0; int avg_bases = 0; double diff = 0; int diff_percent = 0; double avg_gc = 0; double gcp = 0; const char *rawSequence = SQ_fetch_filtered_sequence( read_sequence, filter); /* calculate the average number of bases in group, and the difference of a single seqeunce in group from it */ GBDATA *gb_result1 = GB_search(gb_quality_ali, "number_of_bases", GB_INT); bases = GB_read_int(gb_result1); avg_bases = globalData->SQ_get_avg_bases(); if (avg_bases != 0) { diff = bases - avg_bases; diff = (100 * diff) / avg_bases; diff_percent = sq_round(diff); } GBDATA *gb_result2 = GB_search(gb_quality_ali, "percent_base_deviation", GB_INT); seq_assert(gb_result2); GB_write_int(gb_result2, diff_percent); /* calculate the average gc proportion in group, and the difference of a single seqeunce in group from it */ GBDATA *gb_result6 = GB_search(gb_quality_ali, "GC_proportion", GB_FLOAT); gcp = GB_read_float(gb_result6); avg_gc = globalData->SQ_get_avg_gc(); if (avg_gc != 0) { diff = gcp - avg_gc; diff = (100 * diff) / avg_gc; diff_percent = sq_round(diff); } GBDATA *gb_result7 = GB_search(gb_quality_ali, "percent_GC_difference", GB_INT); seq_assert(gb_result7); GB_write_int(gb_result7, diff_percent); /* get groupnames of visited groups search for name in group dictionary evaluate sequence with group consensus */ GBDATA *gb_con = GB_search(gb_quality_ali, "consensus_conformity", GB_CREATE_CONTAINER); if (!gb_con) error = GB_get_error(); GBDATA *gb_dev = GB_search(gb_quality_ali, "consensus_deviation", GB_CREATE_CONTAINER); if (!gb_dev) error = GB_get_error(); GBT_TREE *backup = node; // needed? int whilecounter = 0; while (backup->father) { if (backup->name) { SQ_GroupDataDictionary::iterator GDI = group_dict.find(backup->name); if (GDI != group_dict.end()) { SQ_GroupDataPtr GD_ptr = GDI->second; consensus_result cr = GD_ptr->SQ_calc_consensus(rawSequence); value1 = cr.conformity; value2 = cr.deviation; value3 = GD_ptr->SQ_get_nr_sequences(); GBDATA *gb_node_entry = GB_search(gb_con, "name", GB_STRING); seq_assert(gb_node_entry); GB_write_string(gb_node_entry, backup->name); gb_node_entry = GB_search(gb_con, "value", GB_FLOAT);seq_assert(gb_node_entry); GB_write_float(gb_node_entry, value1); gb_node_entry = GB_search(gb_con, "num_species", GB_INT);seq_assert(gb_node_entry); GB_write_int(gb_node_entry, value3); gb_node_entry = GB_search(gb_dev, "name", GB_STRING);seq_assert(gb_node_entry); GB_write_string(gb_node_entry, backup->name); gb_node_entry = GB_search(gb_dev, "value", GB_FLOAT);seq_assert(gb_node_entry); GB_write_float(gb_node_entry, value2); gb_node_entry = GB_search(gb_dev, "num_species", GB_INT);seq_assert(gb_node_entry); GB_write_int(gb_node_entry, value3); //if you parse the upper two values in the evaluate() function cut the following out //for time reasons i do the evaluation here, as i still have the upper two values //-------------cut this----------------- if (value1 > 0.95) eval += 5; else { if (value1 > 0.8) eval += 4; else { if (value1 > 0.6) eval += 3; else { if (value1 > 0.4) eval += 2; else { if (value1 > 0.25) eval += 1; else { eval += 0; } } } } } if (value2 > 0.6) eval += 0; else { if (value2 > 0.4) eval += 1; else { if (value2 > 0.2) eval += 2; else { if (value2 > 0.1) eval += 3; else { if (value2 > 0.05) eval += 4; else { if (value2 > 0.025) eval += 5; else { if (value2 > 0.01) eval += 6; else { eval += 7; } } } } } } } whilecounter++; //---------to this and scroll down-------- } } backup = backup->father; } //--------also cut this------ if (eval != 0) { eval = eval / whilecounter; evaluation = sq_round(eval); } GBDATA *gb_result5 = GB_search(gb_quality_ali, "consensus_evaluated", GB_INT); seq_assert(gb_result5); GB_write_int(gb_result5, evaluation); //--------end cut this------- delete(rawSequence); } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } GB_ERROR SQ_pass2_no_tree(const SQ_GroupData * globalData, GBDATA * gb_main, AP_filter * filter) { char *alignment_name; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); getFirst = GBT_first_species; getNext = GBT_next_species; /*second pass operations */ for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { gb_name = GB_entry(gb_species, "name"); if (!gb_name) error = GB_get_error(); else { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); if (!gb_ali) { error = no_data_error(gb_species, alignment_name); } else { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (!gb_quality) error = GB_get_error(); GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (!gb_quality_ali) error = GB_get_error(); read_sequence = GB_entry(gb_ali, "data"); /*real calculations start here */ if (read_sequence) { double value1 = 0; double value2 = 0; double eval = 0; int value3 = 0; int evaluation = 0; int bases = 0; int avg_bases = 0; double diff = 0; int diff_percent = 0; double avg_gc = 0; double gcp = 0; const char *rawSequence = SQ_fetch_filtered_sequence( read_sequence, filter); /* calculate the average number of bases in group, and the difference of a single seqeunce in group from it */ GBDATA *gb_result1 = GB_search(gb_quality_ali, "number_of_bases", GB_INT); bases = GB_read_int(gb_result1); avg_bases = globalData->SQ_get_avg_bases(); if (avg_bases != 0) { diff = bases - avg_bases; diff = (100 * diff) / avg_bases; diff_percent = sq_round(diff); } GBDATA *gb_result2 = GB_search(gb_quality_ali, "percent_base_deviation", GB_INT); seq_assert(gb_result2); GB_write_int(gb_result2, diff_percent); /* calculate the average gc proportion in group, and the difference of a single seqeunce in group from it */ GBDATA *gb_result6 = GB_search(gb_quality_ali, "GC_proportion", GB_FLOAT); gcp = GB_read_float(gb_result6); avg_gc = globalData->SQ_get_avg_gc(); if (avg_gc != 0) { diff = gcp - avg_gc; diff = (100 * diff) / avg_gc; diff_percent = sq_round(diff); } GBDATA *gb_result7 = GB_search(gb_quality_ali, "percent_GC_difference", GB_INT); seq_assert(gb_result7); GB_write_int(gb_result7, diff_percent); /* get groupnames of visited groups search for name in group dictionary evaluate sequence with group consensus */ GBDATA *gb_con = GB_search(gb_quality_ali, "consensus_conformity", GB_CREATE_CONTAINER); if (!gb_con) error = GB_get_error(); GBDATA *gb_dev = GB_search(gb_quality_ali, "consensus_deviation", GB_CREATE_CONTAINER); if (!gb_dev) error = GB_get_error(); consensus_result cr = globalData->SQ_calc_consensus(rawSequence); value1 = cr.conformity; value2 = cr.deviation; value3 = globalData->SQ_get_nr_sequences(); GBDATA *gb_node_entry = GB_search(gb_con, "name", GB_STRING); seq_assert(gb_node_entry); GB_write_string(gb_node_entry, "one global consensus"); gb_node_entry = GB_search(gb_con, "value", GB_FLOAT);seq_assert(gb_node_entry); GB_write_float(gb_node_entry, value1); gb_node_entry = GB_search(gb_con, "num_species", GB_INT);seq_assert(gb_node_entry); GB_write_int(gb_node_entry, value3); gb_node_entry = GB_search(gb_dev, "name", GB_STRING);seq_assert(gb_node_entry); GB_write_string(gb_node_entry, "one global consensus"); gb_node_entry = GB_search(gb_dev, "value", GB_FLOAT);seq_assert(gb_node_entry); GB_write_float(gb_node_entry, value2); gb_node_entry = GB_search(gb_dev, "num_species", GB_INT);seq_assert(gb_node_entry); GB_write_int(gb_node_entry, value3); //if you parse the upper two values in the evaluate() function cut the following out //for time reasons i do the evaluation here, as i still have the upper two values //-------------cut this----------------- if (value1 > 0.95) eval += 5; else { if (value1 > 0.8) eval += 4; else { if (value1 > 0.6) eval += 3; else { if (value1 > 0.4) eval += 2; else { if (value1 > 0.25) eval += 1; else { eval += 0; } } } } } if (value2 > 0.6) eval += 0; else { if (value2 > 0.4) eval += 1; else { if (value2 > 0.2) eval += 2; else { if (value2 > 0.1) eval += 3; else { if (value2 > 0.05) eval += 4; else { if (value2 > 0.025) eval += 5; else { if (value2 > 0.01) eval += 6; else { eval += 7; } } } } } } } if (eval != 0) { evaluation = sq_round(eval); } GBDATA *gb_result5 = GB_search(gb_quality_ali, "consensus_evaluated", GB_INT); seq_assert(gb_result5); GB_write_int(gb_result5, evaluation); //--------end cut this------- pass2_counter_notree++; aw_status((double) pass2_counter_notree / (double) globalcounter_notree); delete(rawSequence); } } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } // counts number of named groups in subtree int SQ_count_nr_of_groups(GBT_TREE * node) { if (node->is_leaf) return 0; return (node->name != 0) + SQ_count_nr_of_groups(node->leftson) + SQ_count_nr_of_groups(node->rightson); } // counts number of species GB_ERROR SQ_count_nr_of_species(GBDATA * gb_main) { char *alignment_name; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GBDATA *gb_name; GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); getFirst = GBT_first_species; getNext = GBT_next_species; for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { gb_name = GB_entry(gb_species, "name"); if (!gb_name) error = GB_get_error(); else { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); if (!gb_ali) { error = no_data_error(gb_species, alignment_name); } else { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (!gb_quality) error = GB_get_error(); read_sequence = GB_entry(gb_ali, "data"); if (read_sequence) { globalcounter_notree++; } } } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } void SQ_reset_counters(GBT_TREE * root) { globalcounter = 0; groupcounter = SQ_count_nr_of_groups(root); } void create_multi_level_consensus(GBT_TREE * node, SQ_GroupData * data) { SQ_GroupData *newData = data->clone(); //save actual consensus *newData = *data; group_dict[node->name] = newData; //and link it with an name } void SQ_calc_and_apply_group_data(GBT_TREE * node, GBDATA * gb_main, SQ_GroupData * data, AP_filter * filter) { if (node->is_leaf) { if (node->gb_node) { SQ_pass1(data, gb_main, node, filter);seq_assert(data->getSize()> 0); } } else { SQ_GroupData *leftData= NULL; SQ_GroupData *rightData= NULL; GBT_TREE *node1 = node->leftson; GBT_TREE *node2 = node->rightson; bool parentIsEmpty = false; if (node->name) { if (data->getSize() == 0) { parentIsEmpty = true; SQ_calc_and_apply_group_data(node1, gb_main, data, filter); // process left branch with empty data seq_assert(data->getSize()> 0); } else { leftData = data->clone(); // create new empty SQ_GroupData SQ_calc_and_apply_group_data(node1, gb_main, leftData, filter); // process left branch seq_assert(leftData->getSize()> 0); } rightData = data->clone(); // create new empty SQ_GroupData SQ_calc_and_apply_group_data(node2, gb_main, rightData, filter); // process right branch seq_assert(rightData->getSize()> 0); if (!parentIsEmpty) { data->SQ_add(*leftData); delete leftData; } data->SQ_add(*rightData); delete rightData; create_multi_level_consensus(node, data); globalcounter++; aw_status((double) globalcounter / (double) groupcounter); } else { SQ_calc_and_apply_group_data(node1, gb_main, data, filter); // enter left branch seq_assert(data->getSize()> 0); SQ_calc_and_apply_group_data(node2, gb_main, data, filter); // enter right branch seq_assert(data->getSize()> 0); } } } void SQ_calc_and_apply_group_data2(GBT_TREE * node, GBDATA * gb_main, const SQ_GroupData * data, AP_filter * filter) { if (node->is_leaf) { if (node->gb_node) { SQ_pass2(data, gb_main, node, filter); } } else { GBT_TREE *node1 = node->leftson; GBT_TREE *node2 = node->rightson; if (node1) { SQ_calc_and_apply_group_data2(node1, gb_main, data, filter); } if (node2) { SQ_calc_and_apply_group_data2(node2, gb_main, data, filter); } if (node->name) { // group identified globalcounter++; aw_status((double) globalcounter / (double) groupcounter); } } } //marks species that are below threshold "evaluation" GB_ERROR SQ_mark_species(GBDATA * gb_main, int condition, bool marked_only) { char *alignment_name; int result = 0; GBDATA *read_sequence = 0; GBDATA *gb_species; GBDATA *gb_species_data; GB_ERROR error = 0; GB_push_transaction(gb_main); gb_species_data = GB_search(gb_main, "species_data", GB_CREATE_CONTAINER); alignment_name = GBT_get_default_alignment(gb_main);seq_assert(alignment_name); GBDATA *(*getFirst)(GBDATA *) = 0; GBDATA *(*getNext)(GBDATA *) = 0; if (marked_only) { getFirst = GBT_first_marked_species; getNext = GBT_next_marked_species; } else { getFirst = GBT_first_species; getNext = GBT_next_species; } for (gb_species = getFirst(gb_main); gb_species; gb_species = getNext(gb_species)) { GBDATA *gb_ali = GB_entry(gb_species, alignment_name); bool marked = false; if (gb_ali) { GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); if (gb_quality) { read_sequence = GB_entry(gb_ali, "data"); if (read_sequence) { GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); if (gb_quality_ali) { GBDATA *gb_result1 = GB_search(gb_quality_ali, "evaluation", GB_INT); result = GB_read_int(gb_result1); if (result < condition) { marked = true; } pass1_counter_notree++; aw_status((double) pass1_counter_notree / (double) globalcounter_notree); } } } } if (GB_read_flag(gb_species) != marked) { GB_write_flag(gb_species, marked); } } free(alignment_name); if (error) GB_abort_transaction(gb_main); else GB_pop_transaction(gb_main); return error; } SQ_TREE_ERROR SQ_check_tree_structure(GBT_TREE * node) { SQ_TREE_ERROR retval = NONE; if (!node) return MISSING_NODE; if (node->is_leaf) { if (!node->gb_node) retval = ZOMBIE; } else { retval = SQ_check_tree_structure(node->leftson); if (retval == NONE) retval = SQ_check_tree_structure(node->rightson); } return retval; } ./arbsrc_9167/SEQ_QUALITY/SQ_functions.h0000644012664100000130000000725211440742777017606 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_functions.h // // Purpose : Functions used for calculation of alignment quality // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef SQ_FUNCTIONS_H #define SQ_FUNCTIONS_H #ifndef SQ_GROUPDATA_H # include "SQ_GroupData.h" #endif #ifndef __MAP__ # include #endif #ifndef __STRING__ # include #endif #ifndef SMARTPTR_H #include #endif typedef SmartPtr < SQ_GroupData> SQ_GroupDataPtr; typedef std::map < std::string, SQ_GroupDataPtr> SQ_GroupDataDictionary; GB_ERROR SQ_reset_quality_calcstate(GBDATA * gb_main); GB_ERROR SQ_remove_quality_entries(GBDATA *gb_main); char *SQ_fetch_filtered_sequence(GBDATA * read_sequence, AP_filter * filter); GB_ERROR SQ_pass1(SQ_GroupData * globalData, GBDATA * gb_main, GBT_TREE * node, AP_filter * filter); GB_ERROR SQ_pass1_no_tree(SQ_GroupData * globalData, GBDATA * gb_main, AP_filter * filter); GB_ERROR SQ_pass2(const SQ_GroupData * globalData, GBDATA * gb_main, GBT_TREE * node, AP_filter * filter); GB_ERROR SQ_pass2_no_tree(const SQ_GroupData * globalData, GBDATA * gb_main, AP_filter * filter); GB_ERROR SQ_count_nr_of_species(GBDATA * gb_main); void SQ_reset_counters(GBT_TREE * root); // reset counters used by SQ_calc_and_apply_group_data void SQ_calc_and_apply_group_data(GBT_TREE * node, GBDATA * gb_main, SQ_GroupData * data, AP_filter * filter); void SQ_calc_and_apply_group_data2(GBT_TREE * node, GBDATA * gb_main, const SQ_GroupData * data, AP_filter * filter); void create_multi_level_consensus(GBT_TREE * node, SQ_GroupData * data); int SQ_get_value_no_tree(GBDATA * gb_main, const char *option); int SQ_get_value(GBDATA * gb_main, const char *option); /* "option" is variable which is passed to function "SQ_get_value()". SQ_get_value() returns the values that are stored in the specific containers used for alignment quality evaluation. */ struct SQ_weights { int bases; int diff_from_average; int helix; int consensus; int iupac; int gc; }; GB_ERROR SQ_evaluate(GBDATA * gb_main, const SQ_weights & weights, bool marked_only); /* The "weight_..." -values are passed to the function "SQ_evaluate()". SQ_evaluate() generates the final estimation for the quality of an alignment. It takes the values from the different containers, which are generated by the other functions, weights them and calculates a final value. The final value is stored in "value_of_evaluation" (see options). So, with the "weight_..." -values one can customise how important a value stored in a contaier becomes for the final result. */ GB_ERROR SQ_mark_species(GBDATA * gb_main, int condition, bool marked_only); void SQ_clear_group_dictionary(); enum SQ_TREE_ERROR { NONE = 0, ZOMBIE = 1, MISSING_NODE = 2 }; SQ_TREE_ERROR SQ_check_tree_structure(GBT_TREE * node); #else #error SQ_functions.h included twice #endif ./arbsrc_9167/SEQ_QUALITY/SQ_GroupData.cxx0000644012664100000130000001543711440742777020043 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_GroupData.cxx // // Purpose : Classes to store global information about sequences // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include #include #include "SQ_GroupData.h" using namespace std; SQ_GroupData::SQ_GroupData() { size = 0; avg_bases = 0; nr_sequences = 0; gc_prop = 0; initialized = false; } SQ_GroupData::~SQ_GroupData() { } consensus_result SQ_GroupData_RNA::SQ_calc_consensus(const char *sequence) const { consensus_result cr; cr.conformity = 0; cr.deviation = 0; for (int i = 0; i < size; i++) { int current[6] = { 0, 0, 0, 0, 0, 0 }; //fill up current with decoded iupac values switch (sequence[i]) { case 'a': case 'A': current[0] = 100; break; case 't': case 'T': current[1] = 100; break; case 'c': case 'C': current[2] = 100; break; case 'g': case 'G': current[3] = 100; break; case 'u': case 'U': current[1] = 100; break; case 'r': case 'R': current[0] = 50; current[3] = 50; break; case 'y': case 'Y': current[2] = 50; current[1] = 50; break; case 'm': case 'M': current[0] = 50; current[2] = 50; break; case 'k': case 'K': current[3] = 50; current[1] = 50; break; case 'w': case 'W': current[0] = 50; current[1] = 50; break; case 's': case 'S': current[3] = 50; current[2] = 50; break; case 'b': case 'B': current[2] = 33; current[1] = 33; current[3] = 33; break; case 'd': case 'D': current[0] = 33; current[1] = 33; current[3] = 33; break; case 'h': case 'H': current[2] = 33; current[1] = 33; current[0] = 33; break; case 'v': case 'V': current[0] = 33; current[2] = 33; current[3] = 33; break; case 'n': case 'N': case 'x': case 'X': current[2] = 25; current[1] = 25; current[0] = 25; current[3] = 25; break; case '.': current[4] = 1; break; case '-': current[5] = 1; break; default: seq_assert(0); // unhandled character break; } //end fill up current int *cs = consensus[i].i; double sum = (double) (cs[0] + cs[1] + cs[2] + cs[3] + cs[4] + cs[5]); for (int j = 0; j < 6; j++) { int currentj = current[j]; if (currentj > 0) { if (cs[j] > currentj) { cr.conformity += (double) (cs[j] - currentj) / sum; } else // == if ( cs[j] <= currentj ) { cr.deviation += current[j]; } } } } cr.conformity = cr.conformity / size; //set conformity in relation to sequencelength cr.deviation = cr.deviation / size; //set deviation in relation to sequencelength return cr; } void SQ_GroupData_RNA::SQ_add_sequence(const char *sequence) { for (int i = 0; i < size; i++) { int *cs = consensus[i].i; switch (sequence[i]) { case 'a': case 'A': cs[0] += 100; break; case 't': case 'T': cs[1] += 100; break; case 'c': case 'C': cs[2] += 100; break; case 'g': case 'G': cs[3] += 100; break; case 'u': case 'U': cs[1] += 100; break; case 'r': case 'R': cs[0] += 50; cs[3] += 50; break; case 'y': case 'Y': cs[2] += 50; cs[1] += 50; break; case 'm': case 'M': cs[0] += 50; cs[2] += 50; break; case 'k': case 'K': cs[3] += 50; cs[1] += 50; break; case 'w': case 'W': cs[0] += 50; cs[1] += 50; break; case 's': case 'S': cs[3] += 50; cs[2] += 50; break; case 'b': case 'B': cs[2] += 33; cs[1] += 33; cs[3] += 33; break; case 'd': case 'D': cs[0] += 33; cs[1] += 33; cs[3] += 33; break; case 'h': case 'H': cs[2] += 33; cs[1] += 33; cs[0] += 33; break; case 'v': case 'V': cs[0] += 33; cs[2] += 33; cs[3] += 33; break; case 'n': case 'x': case 'N': case 'X': cs[2] += 25; cs[1] += 25; cs[0] += 25; cs[3] += 25; break; case '.': cs[4] += 1; break; case '-': cs[5] += 1; break; default: fprintf(stderr, "Illegal character '%c'", sequence[i]); seq_assert(0); // unhandled character break; } } } consensus_result SQ_GroupData_PRO::SQ_calc_consensus(const char *) const { // Warning: implementation missing consensus_result cr; cr.conformity = 0; cr.deviation = 0; return cr; // dummy return values } void SQ_GroupData_PRO::SQ_add_sequence(const char *) { // Warning: implementation missing } ./arbsrc_9167/SEQ_QUALITY/SQ_GroupData.h0000644012664100000130000001405611440742777017464 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_GroupData.h // // Purpose : Classes to store global information about sequences // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef SQ_GROUPDATA_H #define SQ_GROUPDATA_H #ifndef _CPP_CSTDDEF # include #endif #ifndef _CPP_IOSTREAM # include #endif #ifndef _MEMORY_H #include #endif #ifndef ARB_ASSERT_H # include #endif #define seq_assert(bed) arb_assert(bed) typedef struct { double conformity; double deviation; } consensus_result; class SQ_GroupData { public: SQ_GroupData(); virtual ~SQ_GroupData(); virtual SQ_GroupData& operator =(const SQ_GroupData& other) = 0; virtual SQ_GroupData *clone() const = 0; void SQ_set_avg_bases(int bases) { avg_bases += bases; } int SQ_get_avg_bases() const { return (avg_bases/nr_sequences ); } void SQ_set_avg_gc(double gc) { gc_prop += gc; } double SQ_get_avg_gc() const { return (gc_prop/nr_sequences ); } void SQ_count_sequences() { nr_sequences++; } int SQ_get_nr_sequences() const { return nr_sequences; } bool SQ_is_initialized() const { return initialized; } virtual void SQ_init_consensus(int size) = 0; virtual int SQ_print_on_screen() = 0; virtual consensus_result SQ_calc_consensus(const char *sequence) const = 0; virtual void SQ_add_sequence(const char *sequence) = 0; virtual void SQ_add(const SQ_GroupData& other) = 0; int getSize() const { return size; } protected: int size; int avg_bases; int nr_sequences; double gc_prop; bool initialized; }; template class Int { Int(const Int& other); // copying not allowed public: int i[I]; int size() const { return I; } Int() { memset(i, 0, I*sizeof(int)); } Int& operator +=(const Int& other) { const int *otheri = other.i; for (int j = 0; j class SQ_GroupData_Impl : public SQ_GroupData { SQ_GroupData_Impl(const SQ_GroupData_Impl& other); public: SQ_GroupData_Impl() { consensus = 0; } virtual ~SQ_GroupData_Impl(); SQ_GroupData_Impl& operator=(const SQ_GroupData_Impl& other) { seq_assert ( other.size>0 && other.initialized ); if ( !initialized) SQ_init_consensus(other.size);seq_assert ( size==other.size ); avg_bases = other.avg_bases; gc_prop = other.gc_prop; for (int s=0; s *consensus; }; class SQ_GroupData_RNA : public SQ_GroupData_Impl<6> { SQ_GroupData_RNA(const SQ_GroupData_RNA& other); // copying not allowed public: SQ_GroupData_RNA() { } SQ_GroupData_RNA *clone() const { return new SQ_GroupData_RNA; } SQ_GroupData_RNA& operator=(const SQ_GroupData& other) { return static_cast (SQ_GroupData_Impl<6>::operator= ( static_cast&> ( other ) ) ); } consensus_result SQ_calc_consensus ( const char *sequence ) const; void SQ_add_sequence ( const char *sequence ); protected: static int class_counter; }; class SQ_GroupData_PRO : public SQ_GroupData_Impl<20> { SQ_GroupData_PRO(const SQ_GroupData_PRO& other); // copying not allowed public: SQ_GroupData_PRO() { } SQ_GroupData_PRO *clone() const { return new SQ_GroupData_PRO; } SQ_GroupData_PRO& operator=(const SQ_GroupData& other) { return static_cast (SQ_GroupData_Impl<20>::operator= ( static_cast&> ( other ) ) ); } consensus_result SQ_calc_consensus ( const char *sequence ) const; void SQ_add_sequence ( const char *sequence ); }; // ----------------------- // implementation // ----------------------- template SQ_GroupData_Impl::~SQ_GroupData_Impl() { delete [] consensus; } template void SQ_GroupData_Impl::SQ_init_consensus(int size_) { seq_assert ( !initialized ); size = size_; consensus = new Int[size]; initialized = true; } template void SQ_GroupData_Impl::SQ_add( const SQ_GroupData& other_base) { const SQ_GroupData_Impl& other = dynamic_cast&> (other_base ); seq_assert ( size==other.size ); for (int i = 0; i int SQ_GroupData_Impl::SQ_print_on_screen() { for (int i=0; i < size; i++) { for (int j = 0; j #endif #ifndef _CPP_MAP #include #endif #ifndef BI_HELIX_HXX #include #endif class SQ_helix { public: SQ_helix(int size); ~SQ_helix(); void SQ_calc_helix_layout(const char *sequence, GBDATA * gb_main, char *alignment_name, GBDATA * gb_quality, AP_filter * filter); int SQ_get_no_helix() const { return count_no_helix; } int SQ_get_weak_helix() const { return count_weak_helix; } int SQ_get_strong_helix() const { return count_strong_helix; } private: const char *sequence; int count_strong_helix; int count_weak_helix; int count_no_helix; int size; static BI_helix *helix; static GBDATA *helix_gb_main; static std::string helix_ali_name; static std::map filterMap; static bool has_filterMap; static BI_helix & getHelix(GBDATA * gb_main, const char *ali_name); }; // global data BI_helix *SQ_helix::helix = 0; GBDATA *SQ_helix::helix_gb_main = 0; std::string SQ_helix::helix_ali_name; std::map SQ_helix::filterMap; bool SQ_helix::has_filterMap = false; // SQ_helix implementation BI_helix & SQ_helix::getHelix(GBDATA * gb_main, const char *ali_name) { if (!helix || gb_main != helix_gb_main || strcmp(helix_ali_name.c_str(), ali_name) != 0) { delete helix; helix = new BI_helix; helix->init(gb_main, ali_name); helix_gb_main = gb_main; helix_ali_name = ali_name; } return *helix; } SQ_helix::SQ_helix(int size_) : sequence(0), count_strong_helix(0), count_weak_helix(0), count_no_helix(0), size(size_) { } SQ_helix::~SQ_helix() { } void SQ_helix::SQ_calc_helix_layout(const char *seq, GBDATA * gb_main, char *alignment_name, GBDATA * gb_quality, AP_filter * filter) { getHelix(gb_main, alignment_name); // one call should be enough here (alignment does not change during the whole evaluation) if (!has_filterMap) { filterMap.clear(); for (int filter_pos = 0; filter_pos < filter->real_len; filter_pos++) { filterMap[filter->filterpos_2_seqpos[filter_pos]] = filter_pos; } has_filterMap = true; } if (!helix->has_entries()) { count_strong_helix = 1; count_weak_helix = 1; count_no_helix = 1; } else { // calculate the number of strong, weak and no helixes std::map::iterator it; for (int filter_pos = 0; filter_pos < filter->real_len; filter_pos++) { int seq_pos = filter->filterpos_2_seqpos[filter_pos]; BI_PAIR_TYPE pair_type = helix->pairtype(seq_pos); if (pair_type == HELIX_PAIR) { int v_seq_pos = helix->opposite_position(seq_pos); if (v_seq_pos > seq_pos) { // ignore right helix positions it = filterMap.find(v_seq_pos); if (it != filterMap.end()) { char left = seq[filter_pos]; char right = seq[it->second]; int check = helix->check_pair(left, right, pair_type); switch (check) { case 2: count_strong_helix++; break; case 1: count_weak_helix++; break; case 0: if (!((left == '-') && (right == '-'))) count_no_helix++; break; } } } } } } // /*if (count_strong_helix != 0)*/ count_strong_helix = count_strong_helix / 2; // /*if (count_weak_helix != 0)*/ count_weak_helix = count_weak_helix / 2; // /*if (count_no_helix != 0)*/ count_no_helix = count_no_helix / 2; GBDATA *gb_result1 = GB_search(gb_quality, "number_of_no_helix", GB_INT); seq_assert(gb_result1); GB_write_int(gb_result1, count_no_helix); GBDATA *gb_result2 = GB_search(gb_quality, "number_of_weak_helix", GB_INT); seq_assert(gb_result2); GB_write_int(gb_result2, count_weak_helix); GBDATA *gb_result3 = GB_search(gb_quality, "number_of_strong_helix", GB_INT); seq_assert(gb_result3); GB_write_int(gb_result3, count_strong_helix); } ./arbsrc_9167/SEQ_QUALITY/SQ_main.cxx0000644012664100000130000002721311440742777017074 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_main.cxx // // Purpose : Entrypoint to Seq. Quality analysis; calls funktions // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include #include #include #include #include #include #include #include #include #include "../AWT/awtfilter.hxx" #include #include #include "seq_quality.h" #include "SQ_functions.h" extern GBDATA *GLOBAL_gb_main; // -------------------------------------------------------------------------------- #define AWAR_SQ_PERM "seq_quality/" // saved in properties #define AWAR_SQ_TEMP "tmp/seq_quality/" // not saved in properties #define AWAR_SQ_WEIGHT_BASES AWAR_SQ_PERM "weight_bases" #define AWAR_SQ_WEIGHT_DEVIATION AWAR_SQ_PERM "weight_deviation" #define AWAR_SQ_WEIGHT_HELIX AWAR_SQ_PERM "weight_helix" #define AWAR_SQ_WEIGHT_CONSENSUS AWAR_SQ_PERM "weight_consensus" #define AWAR_SQ_WEIGHT_IUPAC AWAR_SQ_PERM "weight_iupac" #define AWAR_SQ_WEIGHT_GC AWAR_SQ_PERM "weight_gc" #define AWAR_SQ_MARK_ONLY_FLAG AWAR_SQ_PERM "mark_only_flag" #define AWAR_SQ_MARK_FLAG AWAR_SQ_PERM "mark_flag" #define AWAR_SQ_MARK_BELOW AWAR_SQ_PERM "mark_below" #define AWAR_SQ_REEVALUATE AWAR_SQ_PERM "reevaluate" #define AWAR_FILTER_PREFIX AWAR_SQ_TEMP "filter/" #define AWAR_FILTER_NAME AWAR_FILTER_PREFIX "name" #define AWAR_FILTER_FILTER AWAR_FILTER_PREFIX "filter" #define AWAR_FILTER_ALI AWAR_FILTER_PREFIX "alignment" void SQ_create_awars(AW_root * aw_root, AW_default aw_def) { aw_root->awar_int(AWAR_SQ_WEIGHT_BASES, 5, aw_def); aw_root->awar_int(AWAR_SQ_WEIGHT_DEVIATION, 15, aw_def); aw_root->awar_int(AWAR_SQ_WEIGHT_HELIX, 15, aw_def); aw_root->awar_int(AWAR_SQ_WEIGHT_CONSENSUS, 50, aw_def); aw_root->awar_int(AWAR_SQ_WEIGHT_IUPAC, 5, aw_def); aw_root->awar_int(AWAR_SQ_WEIGHT_GC, 10, aw_def); aw_root->awar_int(AWAR_SQ_MARK_ONLY_FLAG, 0, aw_def); aw_root->awar_int(AWAR_SQ_MARK_FLAG, 1, aw_def); aw_root->awar_int(AWAR_SQ_MARK_BELOW, 40, aw_def); aw_root->awar_int(AWAR_SQ_REEVALUATE, 0, aw_def); aw_root->awar_string(AWAR_FILTER_NAME, "none", aw_def); aw_root->awar_string(AWAR_FILTER_FILTER, "", aw_def); AW_awar *awar_ali = aw_root->awar_string(AWAR_FILTER_ALI, "", aw_def); awar_ali->map("presets/use"); } // -------------------------------------------------------------------------------- static void sq_calc_seq_quality_cb(AW_window * aww, AW_CL res_from_awt_create_select_filter) { AW_root *aw_root = aww->get_root(); GB_ERROR error = 0; GBT_TREE *tree = 0; bool marked_only = (aw_root->awar(AWAR_SQ_MARK_ONLY_FLAG)->read_int() > 0); { char *treename = aw_root->awar(AWAR_TREE)->read_string(); // contains "tree_????" if no tree is selected if (treename && strcmp(treename, "tree_????") != 0) { error = GB_push_transaction(GLOBAL_gb_main); if (!error) { tree = GBT_read_tree(GLOBAL_gb_main, treename, sizeof(*tree)); if (!tree) error = GB_await_error(); else { error = GBT_link_tree(tree, GLOBAL_gb_main, GB_FALSE, NULL, NULL); if (!error) { GBT_TREE_REMOVE_TYPE mode = GBT_REMOVE_DELETED; if (marked_only) mode = GBT_TREE_REMOVE_TYPE(mode|GBT_REMOVE_NOT_MARKED); tree = GBT_remove_leafs(tree, mode, NULL, NULL, NULL); if (!tree || tree->is_leaf) { error = GBS_global_string("Tree contains less than 2 species after removing zombies%s", marked_only ? " and non-marked" : ""); } } } } error = GB_end_transaction(GLOBAL_gb_main, error); } free(treename); } // if tree == 0 -> do basic quality calculations that are possible without tree information // otherwise -> use all groups found in tree and compare sequences against the groups they are contained in if (!error) { struct SQ_weights weights; weights.bases = aw_root->awar(AWAR_SQ_WEIGHT_BASES)->read_int(); weights.diff_from_average = aw_root->awar(AWAR_SQ_WEIGHT_DEVIATION)->read_int(); weights.helix = aw_root->awar(AWAR_SQ_WEIGHT_HELIX)->read_int(); weights.consensus = aw_root->awar(AWAR_SQ_WEIGHT_CONSENSUS)->read_int(); weights.iupac = aw_root->awar(AWAR_SQ_WEIGHT_IUPAC)->read_int(); weights.gc = aw_root->awar(AWAR_SQ_WEIGHT_GC)->read_int(); int mark_flag = aw_root->awar(AWAR_SQ_MARK_FLAG)->read_int(); int mark_below = aw_root->awar(AWAR_SQ_MARK_BELOW)->read_int(); int reevaluate = aw_root->awar(AWAR_SQ_REEVALUATE)->read_int(); // Load and use Sequence-Filter AP_filter *filter = awt_get_filter(aw_root, (adfiltercbstruct*)res_from_awt_create_select_filter); /* SQ_evaluate() generates the final estimation for the quality of an alignment. It takes the values from the different containers, which are generated by the other functions, weights them and calculates a final value. The final value is stored in "value_of_evaluation" (see options). With the values stored in "weights" one can customise how important a value stored in a contaier becomes for the final result. */ if (tree == 0) { if (reevaluate) { aw_openstatus("Marking Sequences..."); SQ_mark_species(GLOBAL_gb_main, mark_below, marked_only); aw_closestatus(); } else { SQ_GroupData *globalData = new SQ_GroupData_RNA; SQ_count_nr_of_species(GLOBAL_gb_main); aw_openstatus("Calculating pass 1 of 2 ..."); SQ_pass1_no_tree(globalData, GLOBAL_gb_main, filter); aw_closestatus(); aw_openstatus("Calculating pass 2 of 2 ..."); SQ_pass2_no_tree(globalData, GLOBAL_gb_main, filter); SQ_evaluate(GLOBAL_gb_main, weights, marked_only); aw_closestatus(); if (mark_flag) { aw_openstatus("Marking Sequences..."); SQ_mark_species(GLOBAL_gb_main, mark_below, marked_only); aw_closestatus(); } delete globalData; } } else { aw_openstatus("Checking tree for irregularities..."); SQ_TREE_ERROR check = NONE; if ((check = SQ_check_tree_structure(tree)) != NONE) { switch (check) { case ZOMBIE: aw_message("Found one or more zombies in the tree.\nPlease remove them or use another tree before running the quality check tool."); break; case MISSING_NODE: aw_message("Missing node(s) or unusable tree structure.\nPlease fix the tree before running the quality check tool."); break; default: aw_message("An error occurred while traversing the tree.\nPlease fix the tree before running the quality check tool."); break; } aw_closestatus(); return; } aw_closestatus(); if (reevaluate) { aw_openstatus("Marking Sequences..."); SQ_count_nr_of_species(GLOBAL_gb_main); SQ_mark_species(GLOBAL_gb_main, mark_below, marked_only); aw_closestatus(); } else { aw_openstatus("Calculating pass 1 of 2..."); SQ_reset_counters(tree); SQ_GroupData *globalData = new SQ_GroupData_RNA; SQ_calc_and_apply_group_data(tree, GLOBAL_gb_main, globalData, filter); aw_closestatus(); SQ_reset_counters(tree); aw_openstatus("Calculating pass 2 of 2..."); SQ_calc_and_apply_group_data2(tree, GLOBAL_gb_main, globalData, filter); SQ_evaluate(GLOBAL_gb_main, weights, marked_only); aw_closestatus(); SQ_reset_counters(tree); if (mark_flag) { aw_openstatus("Marking Sequences..."); SQ_count_nr_of_species(GLOBAL_gb_main); SQ_mark_species(GLOBAL_gb_main, mark_below, marked_only); aw_closestatus(); } delete globalData; } } } if (error) { aw_message(error); } SQ_clear_group_dictionary(); if (tree) GBT_delete_tree(tree); } static void sq_remove_quality_entries_cb(AW_window * /*aww*/) { SQ_remove_quality_entries(GLOBAL_gb_main); } // create window for sequence quality calculation (called only once) AW_window *SQ_create_seq_quality_window(AW_root * aw_root, AW_CL) { AW_window_simple *aws = new AW_window_simple; aws->init(aw_root, "CALC_SEQ_QUALITY", "CALCULATE SEQUENCE QUALITY"); aws->load_xfig("seq_quality.fig"); aws->at("close"); aws->callback((AW_CB0) AW_POPDOWN); aws->create_button("CLOSE", "CLOSE", "C"); aws->at("help"); aws->callback(AW_POPUP_HELP, (AW_CL) "seq_quality.hlp"); aws->create_button("HELP", "HELP", "H"); aws->at("base"); aws->create_input_field(AWAR_SQ_WEIGHT_BASES, 3); aws->at("deviation"); aws->create_input_field(AWAR_SQ_WEIGHT_DEVIATION, 3); aws->at("no_helices"); aws->create_input_field(AWAR_SQ_WEIGHT_HELIX, 3); aws->at("consensus"); aws->create_input_field(AWAR_SQ_WEIGHT_CONSENSUS, 3); aws->at("iupac"); aws->create_input_field(AWAR_SQ_WEIGHT_IUPAC, 3); aws->at("gc_proportion"); aws->create_input_field(AWAR_SQ_WEIGHT_GC, 3); aws->at("monly"); aws->create_toggle(AWAR_SQ_MARK_ONLY_FLAG); aws->at("mark"); aws->create_toggle(AWAR_SQ_MARK_FLAG); aws->at("mark_below"); aws->create_input_field(AWAR_SQ_MARK_BELOW, 3); aws->at("tree"); awt_create_selection_list_on_trees(GLOBAL_gb_main, (AW_window *) aws, AWAR_TREE); aws->at("filter"); adfiltercbstruct *filtercd = awt_create_select_filter(aws->get_root(), GLOBAL_gb_main, AWAR_FILTER_NAME); aws->callback(AW_POPUP, (AW_CL) awt_create_select_filter_win, (AW_CL)filtercd); aws->create_button("SELECT_FILTER", AWAR_FILTER_NAME); aws->at("go"); aws->callback(sq_calc_seq_quality_cb, (AW_CL)filtercd); aws->highlight(); aws->create_button("GO", "GO", "G"); aws->at("remove"); aws->callback(sq_remove_quality_entries_cb); aws->create_button("Remove", "Remove", "R"); aws->at("reevaluate"); aws->label("Re-Evaluate only"); aws->create_toggle(AWAR_SQ_REEVALUATE); return aws; } ./arbsrc_9167/SEQ_QUALITY/SQ_physical_layout.h0000644012664100000130000000656311440742777021013 0ustar arb_buildcoders// ==================================================================== // // // // File : SQ_physical_layout.h // // Purpose : Class used for calculation of the phys. layout of seq. // // // // // // Coded by Juergen Huber in July 2003 - February 2004 // // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef ARB_ASSERT_H #include #endif #define seq_assert(bed) arb_assert(bed) class SQ_physical_layout { public: SQ_physical_layout(); void SQ_calc_physical_layout(const char *sequence, int size, GBDATA * gb_quality_ali); int SQ_get_number_of_bases() const; double SQ_get_gc_proportion() const; private: int roundme(double value); double temp; double count_bases; double count_scores; double count_dots; double GC; double GC_proportion; int percent_bases; int count_bases2; }; SQ_physical_layout::SQ_physical_layout() { temp = 0; count_bases = 0; count_scores = 0; count_dots = 0; percent_bases = 0; GC = 0; GC_proportion = 0; count_bases2 = 0; } int SQ_physical_layout::roundme(double value) { int x; value += 0.5; x = (int) floor(value); return x; } void SQ_physical_layout::SQ_calc_physical_layout(const char *sequence, int size, GBDATA * gb_quality_ali) { count_bases = size; for (int i = 0; i < size; i++) { switch (sequence[i]) { case '-': /*calculate number of dots and spaces */ count_bases--; count_scores++; break; case '.': count_bases--; count_dots++; break; case 'G': /*calculate GC layout of sequence */ case 'g': GC++; break; case 'C': case 'c': GC++; break; } } /*calculate layout in percent */ if (GC != 0) { GC_proportion = GC / count_bases; } temp = 100 - (100 * ((count_scores + count_dots) / size)); percent_bases = roundme(temp); count_bases2 = roundme(count_bases); GBDATA *gb_result1 = GB_search(gb_quality_ali, "number_of_bases", GB_INT); seq_assert(gb_result1); GB_write_int(gb_result1, count_bases2); GBDATA *gb_result2 = GB_search(gb_quality_ali, "percent_of_bases", GB_INT); seq_assert(gb_result2); GB_write_int(gb_result2, percent_bases); GBDATA *gb_result3 = GB_search(gb_quality_ali, "GC_proportion", GB_FLOAT); seq_assert(gb_result3); GB_write_float(gb_result3, GC_proportion); } inline int SQ_physical_layout::SQ_get_number_of_bases() const { int i; i = count_bases2; return i; } inline double SQ_physical_layout::SQ_get_gc_proportion() const { double i; i = GC_proportion; return i; } ./arbsrc_9167/SERVERCNTRL/Makefile0000644012664100000130000000266411440743001016412 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend OBJECTS = servercntrl.o $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(@) $(OBJECTS) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) $(POST_COMPILE) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) $(POST_COMPILE) proto: ../MAKEBIN/aisc_mkpt -A -P -C -w servercntrl.h $(OBJECTS:.o=.c) >servercntrl.h.tmp ../SOURCE_TOOLS/mv_if_diff servercntrl.h.tmp servercntrl.h clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl servercntrl.o: servercntrl.h servercntrl.o: $(ARBHOME)/INCLUDE/ad_k_prot.h servercntrl.o: $(ARBHOME)/INCLUDE/ad_prot.h servercntrl.o: $(ARBHOME)/INCLUDE/aisc_global.h servercntrl.o: $(ARBHOME)/INCLUDE/arb_assert.h servercntrl.o: $(ARBHOME)/INCLUDE/arbdb.h servercntrl.o: $(ARBHOME)/INCLUDE/arbdb_base.h servercntrl.o: $(ARBHOME)/INCLUDE/attributes.h servercntrl.o: $(ARBHOME)/INCLUDE/client.h servercntrl.o: $(ARBHOME)/INCLUDE/client_privat.h ./arbsrc_9167/SERVERCNTRL/servercntrl.c0000644012664100000130000003306611440743001017467 0ustar arb_buildcoders#include #include #include #include #include /* #include */ #include #include #include #include /* * The following lines go to servercntrl.h * edit here, not there!! * call 'make proto' to update */ /* AISC_MKPT_PROMOTE:struct arb_params {*/ /* AISC_MKPT_PROMOTE: char *species_name;*/ /* AISC_MKPT_PROMOTE: char *extended_name;*/ /* AISC_MKPT_PROMOTE: char *alignment;*/ /* AISC_MKPT_PROMOTE: char *default_file;*/ /* AISC_MKPT_PROMOTE: char *field;*/ /* AISC_MKPT_PROMOTE: const char *field_default;*/ /* AISC_MKPT_PROMOTE:*/ /* AISC_MKPT_PROMOTE: int read_only;*/ /* AISC_MKPT_PROMOTE:*/ /* AISC_MKPT_PROMOTE: char *job_server;*/ /* AISC_MKPT_PROMOTE: char *db_server;*/ /* AISC_MKPT_PROMOTE: char *mgr_server;*/ /* AISC_MKPT_PROMOTE: char *pt_server;*/ /* AISC_MKPT_PROMOTE:*/ /* AISC_MKPT_PROMOTE: char *tcp;*/ /* AISC_MKPT_PROMOTE:};*/ #define TRIES 1 struct gl_struct { aisc_com *link; long locs; long com; } glservercntrl; char *prefixSSH(const char *host, const char *command, int async) { /* 'host' is a hostname or 'hostname:port' (where hostname may be an IP) 'command' is the command to be executed if 'async' is 1 -> append '&' returns a SSH system call for foreign host or a direct system call for the local machine */ char *result = 0; char asyncChar = " &"[!!async]; if (host && host[0]) { const char *hostPort = strchr(host, ':'); char *hostOnly = GB_strpartdup(host, hostPort ? hostPort-1 : 0); if (!GB_host_is_local(hostOnly)) { result = GBS_global_string_copy("ssh %s -n '%s' %c", hostOnly, command, asyncChar); } free(hostOnly); } if (!result) { result = GBS_global_string_copy("(%s) %c", command, asyncChar); } return result; } GB_ERROR arb_start_server(const char *arb_tcp_env, GBDATA *gbmain, int do_sleep) { const char *tcp_id; GB_ERROR error = 0; if (!(tcp_id = GBS_read_arb_tcp(arb_tcp_env))) { error = GB_export_errorf("Entry '%s' in $(ARBHOME)/lib/arb_tcp.dat not found", arb_tcp_env); } else { const char *server = strchr(tcp_id, 0) + 1; char *serverparams = 0; /* concatenate all params behind server Note : changed behavior on 2007/Mar/09 -- ralf serverparams now is one space if nothing defined in arb_tcp.dat (previously was same as 'server' - most likely a bug) */ { const char *param = strchr(server, 0)+1; size_t plen = strlen(param); size_t alllen = 0; while (plen) { param += plen+1; alllen += plen+1; plen = strlen(param); } serverparams = (char*)malloc(alllen+1); { char *sp = serverparams; param = strchr(server, 0)+1; plen = strlen(param); if (!plen) sp++; else do { memcpy(sp, param, plen); sp[plen] = ' '; sp += plen+1; param += plen+1; plen = strlen(param); } while (plen); sp[-1] = 0; } } { char *command = 0; int delay = 5; if (*tcp_id == ':') { /* local mode */ command = GBS_global_string_copy("%s %s -T%s &",server, serverparams, tcp_id); } else { const char *port = strchr(tcp_id, ':'); if (!port) { error = GB_export_errorf("Error: Missing ':' in line '%s' file $(ARBHOME)/lib/arb_tcp.dat", arb_tcp_env); } else { char *remoteCommand = GBS_global_string_copy("$ARBHOME/bin/%s %s -T%s", server, serverparams, port); command = prefixSSH(tcp_id, remoteCommand, 1); free(remoteCommand); } } if (!error) { #if defined(DEBUG) printf("Starting server (cmd='%s')\n", command); #endif /* DEBUG */ if (!gbmain || GBCMC_system(gbmain,command)) system(command); if (do_sleep) sleep(delay); } free(command); } free(serverparams); } return error; } static GB_ERROR arb_wait_for_server(const char *arb_tcp_env, GBDATA *gbmain, const char *tcp_id, int magic_number, struct gl_struct *serverctrl, int wait) { serverctrl->link = aisc_open(tcp_id, &(serverctrl->com), magic_number); if (!serverctrl->link) { // no server running -> start one GB_ERROR error = arb_start_server(arb_tcp_env, gbmain, 0); if (error) return error; while (!serverctrl->link && wait) { sleep(1); wait--; if ((wait%10) == 0 && wait>0) { printf("Waiting for server '%s' to come up (%i seconds left)\n", arb_tcp_env, wait); } serverctrl->link = aisc_open(tcp_id, &(serverctrl->com), magic_number); } } return 0; } GB_ERROR arb_look_and_start_server(long magic_number, const char *arb_tcp_env, GBDATA *gbmain) { GB_ERROR error = 0; const char *tcp_id = GBS_read_arb_tcp(arb_tcp_env); const char *arb_tcp_dat = "$(ARBHOME)/lib/arb_tcp.dat"; if (!tcp_id) { error = GBS_global_string("Entry '%s' not found in %s", arb_tcp_env, arb_tcp_dat); } else { const char *file = GBS_scan_arb_tcp_param(tcp_id, "-d"); // find parameter behind '-d' if (!file) { error = GBS_global_string("Parameter -d missing for entry '%s' in %s", arb_tcp_env, arb_tcp_dat); } else { if (strcmp(file, "!ASSUME_RUNNING") == 0) { // assume pt-server is running on a host, w/o access to common network drive // i.e. we cannot check for the existance of the database file } else if (GB_size_of_file(file) <= 0) { if (strncmp(arb_tcp_env, "ARB_NAME_SERVER", 15) == 0) { char *dir = strdup(file); char *lastSlash = strrchr(dir, '/'); if (lastSlash) { lastSlash[0] = 0; // cut off file { const char *copy_cmd = GBS_global_string("cp %s/names.dat.template %s", dir, file); system(copy_cmd); } if (GB_size_of_file(file) <= 0) { error = GBS_global_string("Cannot copy nameserver template (%s/names.dat.template missing?)", dir); } } else { error = GBS_global_string("Can't determine directory from '%s'", dir); } free(dir); } else if (strncmp(arb_tcp_env, "ARB_PT_SERVER", 13) == 0) { const char *nameOnly = strrchr(file, '/'); if (!nameOnly) nameOnly = file; error = GBS_global_string("PT_server '%s' has not been created yet.\n" " To create it follow these steps:\n" " 1. Start ARB on the whole database you want to use for probe match/design\n" " 2. Go to ARB_NTREE/Probes/PT_SERVER Admin\n" " 3. Select '%s' and press BUILD SERVER\n" " 4. Wait (up to hours, depending on your DB size)\n" " 5. Meanwhile read the help file: PT_SERVER: What Why and How", file, nameOnly); } else { error = GBS_global_string("The file '%s' is missing. \nUnable to start %s", file, arb_tcp_env); } } } if (!error) { error = arb_wait_for_server(arb_tcp_env, gbmain, tcp_id, magic_number, &glservercntrl, 20); if (!error) { if (!glservercntrl.link) { // couldn't start server error = "I got some problems to start your server:\n" " Possible Reasons may be one or more of the following list:\n" " - there is no database in $ARBHOME/lib/pts/*\n" " update server \n" " - you are not allowed to run 'ssh host pt_server ....&'\n" " check file '/etc/hosts.equiv' (read man pages for help)\n" " - the permissions of $ARBHOME/lib/pts/* do not allow read access\n" " - the PT_SERVER host is not up\n" " - the tcp_id is already used by another program\n" " check $ARBHOME/lib/arb_tcp.dat and /etc/services\n"; } else { aisc_close(glservercntrl.link); glservercntrl.link = 0; } } } } return error; } GB_ERROR arb_look_and_kill_server(int magic_number, const char *arb_tcp_env) { const char *tcp_id; GB_ERROR error = 0; if (!(tcp_id = GBS_read_arb_tcp(arb_tcp_env))) { error = GB_export_errorf("Missing line '%s' in $(ARBHOME)/lib/arb_tcp.dat:",arb_tcp_env); } else { const char *server = strchr(tcp_id, 0)+1; glservercntrl.link = (aisc_com *) aisc_open(tcp_id, &glservercntrl.com, magic_number); if (glservercntrl.link) { const char *command = GBS_global_string("%s -kill -T%s &", server, tcp_id); /* sprintf(command, "%s -kill -T%s &", server, tcp_id); */ if (system(command)) { error = GB_export_errorf("Cannot execute '%s'",command); } aisc_close(glservercntrl.link); glservercntrl.link = 0; } else { error= GB_export_error("I cannot kill your server because I cannot find it"); } } return error; } void arb_print_server_params() { printf("General server parameters (some maybe unused by this server):\n" " -s sets species name to ''\n" " -e sets extended name to ''\n" " -a sets alignment to ''\n" " -d sets default file to ''\n" " -f= sets DB field to '' (using as default)\n" " -r read-only mode\n" " -D sets DB-server to '' [default = ':']\n" " -J sets job-server to '' [default = 'ARB_JOB_SERVER']\n" " -M sets MGR-server to '' [default = 'ARB_MGR_SERVER']\n" " -P sets PT-server to '' [default = 'ARB_PT_SERVER']\n" " -T<[host]:port> sets TCP connection to '<[host]:port>'\n" ); } struct arb_params *arb_trace_argv(int *argc, char **argv) { struct arb_params *erg; int s,d; erg = (struct arb_params *)calloc(sizeof(struct arb_params),1); erg->db_server = strdup(":"); erg->job_server = strdup("ARB_JOB_SERVER"); erg->mgr_server = strdup("ARB_MGR_SERVER"); erg->pt_server = strdup("ARB_PT_SERVER"); for (s=d=0; s<*argc; s++) { if (argv[s][0] == '-') { switch (argv[s][1]) { case 's': erg->species_name = strdup(argv[s]+2);break; case 'e': erg->extended_name = strdup(argv[s]+2);break; case 'a': erg->alignment = strdup(argv[s]+2);break; case 'd': erg->default_file = strdup(argv[s]+2);break; case 'f': { char *eq; erg->field = strdup(argv[s]+2); eq = strchr(erg->field, '='); if (eq) { erg->field_default = eq+1; eq[0] = 0; } else { erg->field_default = 0; // this is illegal - error handling done in caller } break; } case 'r': erg->read_only = 1;break; case 'J': erg->job_server = strdup(argv[s]+2);break; case 'D': erg->db_server = strdup(argv[s]+2);break; case 'M': erg->mgr_server = strdup(argv[s]+2);break; case 'P': erg->pt_server = strdup(argv[s]+2);break; case 'T': { char *ipport = argv[s]+2; if (ipport[0] == ':' && ipport[1] >= '0' && ipport[1] <= '9') { /* port only -> assume localhost */ erg->tcp = GBS_global_string_copy("localhost%s", ipport); } else { erg->tcp = strdup(ipport); } break; } default: argv[d++] = argv[s]; break; } } else { argv[d++] = argv[s]; } } *argc = d; return erg; } ./arbsrc_9167/SERVERCNTRL/servercntrl.h0000644012664100000130000000177511440743001017476 0ustar arb_buildcoders/* * This file is generated by aisc_mkpt. * Any changes you make here will be overwritten later! * */ #ifndef SERVERCNTRL_H #define SERVERCNTRL_H #ifdef __cplusplus extern "C" { #endif /* servercntrl.c */ struct arb_params { char *species_name; char *extended_name; char *alignment; char *default_file; char *field; const char *field_default; int read_only; char *job_server; char *db_server; char *mgr_server; char *pt_server; char *tcp; }; char *prefixSSH(const char *host, const char *command, int async); GB_ERROR arb_start_server(const char *arb_tcp_env, GBDATA *gbmain, int do_sleep); GB_ERROR arb_look_and_start_server(long magic_number, const char *arb_tcp_env, GBDATA *gbmain); GB_ERROR arb_look_and_kill_server(int magic_number, const char *arb_tcp_env); void arb_print_server_params(void); struct arb_params *arb_trace_argv(int *argc, char **argv); #ifdef __cplusplus } #endif #else #error servercntrl.h included twice #endif /* SERVERCNTRL_H */ ./arbsrc_9167/SH/arb0000755012664100000130000000564511656765615014177 0ustar arb_buildcoders#!/bin/bash nargs=$# args="$*" # error message function err () { echo "`basename $0`: $@" 1>&2 exit 1 } # Add to the path variable named by $1 the component $2. $3 must be # "append" or "prepend" to indicate where the component is added. addpath () { eval value=\"\$$1\" case "$value" in *:$2:*|*:$2|$2:*|$2) result="$value" ;; "") result="$2" ;; *) case "$3" in p*) result="$2:${value}" ;; *) result="${value}:$2" ;; esac esac eval $1=$result unset result value } # convenience routine which appends a string to a path. append () { addpath "$1" "$2" append } # convenience routine which prepends a string to a path. prepend () { addpath "$1" "$2" prepend } case "X${ARBHOME}" in X) if [ -x /usr/arb/bin/arb ];then ARB=/usr/arb/bin/arb else case "$0" in /*) ARB="$0";; *) if ARB=`which $0`; then echo $ARB else ARB=`pwd`/$0 fi;; esac fi ARBBIN=`dirname $ARB` export ARBBIN ARBHOME=`dirname $ARBBIN` export ARBHOME echo "Environment Variable ARBHOME was empty" esac echo "Using ARBHOME='$ARBHOME'" prepend PATH $ARBHOME/bin prepend LD_LIBRARY_PATH $ARBHOME/lib append LD_LIBRARY_PATH /usr/dt/lib append LD_LIBRARY_PATH /usr/openwin/lib append LD_LIBRARY_PATH $ARBHOME/lib/addlibs prepend SHLIB_PATH $ARBHOME/lib append SHLIB_PATH $ARBHOME/lib/addlibs # environment variables that this shell script sets/changes: export LD_LIBRARY_PATH MANPATH PATH ARBHOME SHLIB_PATH # global envs: export PWD HOME USER if [ -x $ARBHOME/bin/ghostview ] ; then GS_LIB="$ARBHOME/DEPOT/ghostscript" export GS_LIB fi ARB_PID="$$"; export ARB_PID ARB_PROPERTIES=${HOME}/.arb_prop if [ ! -d ${ARB_PROPERTIES} ] ; then echo "Directory ${ARB_PROPERTIES} not found - creating ..." mkdir ${ARB_PROPERTIES} fi if [ "X$ARBMACROHOME" = "X" ] ; then ARBMACROHOME="${ARB_PROPERTIES}/macros"; export ARBMACROHOME fi if [ ! -d ${ARBMACROHOME} ] ; then echo "Directory $ARBMACROHOME not found - creating ..." mkdir ${ARBMACROHOME} fi if [ "X$ARBMACRO" = "X" ] ; then ARBMACRO="$ARBHOME/lib/macros" export ARBMACRO fi if [ ! -d ${ARBMACRO} ] ; then echo "Directory $ARBMACRO not found - creating ..." mkdir ${ARBMACRO} fi if [ "X$GDE_HELP_DIR" = "X" ] ; then GDE_HELP_DIR="$ARBHOME/GDEHELP" export GDE_HELP_DIR fi # set default command-tool used by ARB ARB_XTERM=${ARB_XTERM:-xterm -sl 1000 -sb -geometry 120x50} export ARB_XTERM ARB_XCMD=${ARB_XCMD:-$ARB_XTERM -e} export ARB_XCMD # save LD_LIBRARY_PATH ARB_LIBRARY_PATH="${LD_LIBRARY_PATH}" export ARB_LIBRARY_PATH if [ "$args" = "shell" ]; then echo "Opening an ARB shell" sh else if [ "$1" = "trace" ]; then shift $ARBHOME/SH/arb_trace $* else echo "Please wait while the program ARB is starting ....." (arb_ntree $args;arb_clean >/dev/null 2>&1;echo ARB done) & fi fi ./arbsrc_9167/SH/arb_bootstrap0000755012664100000130000000365511213220015016234 0ustar arb_buildcoders#!/bin/bash -x # ------------------------------------------------------------ # (C) 2003 Lehrstuhl fuer Mikrobiologie TU Muenchen # Coded by Ralf Westram # ------------------------------------------------------------ # # usage: arb_bootstrap count treeprog [keys for treeprog] # # 'count' is the number of generated trees # 'treeprog' calculates the trees (e.g. dnapars, protpars) # 'keys for treeprog' is arb_echo'ed to stdin of 'treeprog' # # expects input data in "infile" # output data is written to "outtree" # # ------------------------------------------------------------ COUNT=$1 TREEPROG=$2 shift shift # additional arguments are pushed to arb_echo RANDOMSEED1=$(($RANDOM|1)) # a odd number RANDOMSEED2=$(($RANDOM|1)) # a odd number echo "-consense $COUNT" >arb_read_tree_args # arb_echo $RANDOMSEED r $COUNT y | seqboot arb_echo r "$COUNT" y $RANDOMSEED1 | seqboot if [ \! -f outfile ] ; then echo "Error in seqboot: 'outfile' not generated" else mv -f outfile infile TREED=0 if [ \( "$TREEPROG" = "dnapars" \) -o \ \( "$TREEPROG" = "protpars" \) -o \ \( "$TREEPROG" = "proml" \) \ ]; then arb_echo m d $COUNT $RANDOMSEED2 1 $* y | $TREEPROG # $TREEPROG TREED=1 fi if [ "$TREED" = 0 ]; then echo "treeprogram '$TREEPROG' is unknown by arb_bootstrap" else if [ \! -f outtree ] ; then echo "Error running $TREEPROG: 'outtree' not generated" else if [ \! -s outtree ] ; then echo "Error running $TREEPROG: 'outtree' is empty" rm outtree else mv -f outtree intree rm outfile arb_echo y | consense #consense if [ \! -f outtree ] ; then echo "Error running consense: 'outtree' not generated" fi fi fi fi fi ./arbsrc_9167/SH/arb_clean0000755012664100000130000000047011213220015015271 0ustar arb_buildcoders#!/bin/sh if [ "X$ARB_PID" = "X" ] ; then pidfiles=/tmp/arb_pids_$USER_* if [ "X$pidfiles" = "X" ]; then exit 0; fi else pidfiles=/tmp/arb_pids_${USER}_${ARB_PID} fi if [ "\"X$pidfiles\"" != "X" ]; then kill -9 `cat $pidfiles` >/dev/null 2>&1 rm -f $pidfiles fi rm -f /tmp/arb_*_${USER}_${ARB_PID}* ./arbsrc_9167/SH/arb_dnapars0000755012664100000130000000314411213220015015640 0ustar arb_buildcoders#!/bin/bash -x if [ -z "$7" ]; then echo "Usage: arb_dnapars bootstrap searchdepth viewreport randomize transversion_pars threshold_pars interactive" else BOOTSTRAP=$1 SEARCH=$2 REPORT=$3 RANDOMIZE=$4 TRANSVERSION_PARS=$5 THRESHOLD_PARS=$6 INTERACTIVE=$7 FLAGS= if [ "$RANDOMIZE" = "1" ]; then RANDOMSEED=$(($RANDOM|1)) # a odd number FLAGS="$FLAGS j $RANDOMSEED 1" fi if [ "$TRANSVERSION_PARS" = "1" ]; then FLAGS="$FLAGS n" fi if [ \! "$THRESHOLD_PARS" = "0" ]; then FLAGS="$FLAGS t $THRESHOLD_PARS" fi case $SEARCH in 0) FLAGS="$FLAGS" ;; 1) FLAGS="$FLAGS s n" ;; 2) FLAGS="$FLAGS s y" ;; *) echo "Illegal value for 'searchdepth'"; exit 1 ;; esac if [ "$BOOTSTRAP" = "0" ]; then if [ "$INTERACTIVE" = "0" ]; then arb_echo $FLAGS y | dnapars else (arb_echo $FLAGS; cat -) | ( dnapars ; echo "Press RETURN to continue.." ) fi echo '' >arb_read_tree_args arb_message "Please note: Branchlengths generated by DNAPARS have strange scaling (somehow relative to sequence length?)\n" WHAT=dnapars else arb_bootstrap $BOOTSTRAP dnapars $FLAGS WHAT=arb_bootstrap/dnapars/consense fi if [ -f outfile ]; then if [ -s outfile ]; then if [ "$REPORT" = "1" ]; then arb_textedit outfile & fi else echo "$WHAT: Warning: generated 'outfile' is empty" fi else echo "$WHAT: Warning: 'outfile' was not created" fi fi ./arbsrc_9167/SH/arb_echo0000755012664100000130000000032611213220015015125 0ustar arb_buildcoders#!/bin/bash # reads parameters from command line. # prints each parameter on its own line. # # used to control interactive command line programs, lacking a CLI while [ \! -z "$1" ]; do echo $1 shift done ./arbsrc_9167/SH/arb_fastdnaml0000755012664100000130000000037511213220015016164 0ustar arb_buildcoders#!/bin/sh tmp=/tmp/arb_fdnaml_${USER}_$$ mv infile $tmp nice -19 $1 < $tmp & sig=$! /bin/echo "$sig $$ \c" >>/tmp/arb_pids_${USER}_${ARB_PID} wait # echo $tmp not deleted for debugging purposes rm -f $tmp rm -f checkpoint.$sig mv treefile.$sig treefile ./arbsrc_9167/SH/arb_ign0000755012664100000130000000015311213220015014762 0ustar arb_buildcoders#!/bin/bash # this script is used to ignore some arguments from command line # (see C code for more info) ./arbsrc_9167/SH/arb_installubuntu4arb.sh0000755012664100000130000001046011656765615020341 0ustar arb_buildcoders#!/bin/bash # # Installs tools and libraries needed to run, compile or develop ARB on Ubuntu. # # Tested with: # * Ubuntu 10.04 (Lucid Lynx) # # [ May as well work with other ubuntu flavors or debian. # Please report working tests and/or send needed changes to devel@arb-home.de # ] listwords() { if [ ! -z "$1" ]; then echo " $1" shift listwords $* fi } if [ -z "$1" ]; then echo "" echo "Usage: arb_installubuntu4arb.sh what" echo "" echo "what installs" echo "" echo "arb_noOpenGL things needed to run the Non-openGL-version of ARB" echo "arb_OpenGL things needed to run the openGL-version of ARB" echo "" echo "compile_noOpenGL things needed to compile and run the Non-openGL-version of ARB" echo "compile_OpenGL things needed to compile and run the openGL-version of ARB" echo "" echo "develop install 'compile_OpenGL' plus some optional development tools" echo "devdox install 'develop' plus things needed for doxygen (big)" echo "" else ARB_PACKAGES=/tmp/$USER.arb_installubuntu4arb if [ "$1" == "echo" ]; then if [ "$2" == "arb_noOpenGL" ]; then echo \ gnuplot \ gv \ libmotif3 \ xfig \ transfig \ xterm \ # treetool elif [ "$2" == "arb_OpenGL" ]; then $0 echo arb_noOpenGL echo \ libpng12-0 \ elif [ "$2" == "compile_common" ]; then echo \ g++ \ libmotif-dev \ libtiff4-dev \ libx11-dev \ libxaw7-dev \ libxext-dev \ libxml2-utils \ libxpm-dev \ libxt-dev \ lynx \ x11proto-print-dev \ xsltproc \ xutils-dev \ elif [ "$2" == "compile_noOpenGL" ]; then $0 echo arb_noOpenGL $0 echo compile_common elif [ "$2" == "compile_OpenGL" ]; then $0 echo arb_OpenGL $0 echo compile_common echo \ freeglut3-dev \ libglew1.5-dev \ libpng12-dev \ echo \ libglw-mesa-arb \ >> $ARB_PACKAGES elif [ "$2" == "develop" ]; then $0 echo compile_OpenGL echo \ valgrind \ ctags \ elif [ "$2" == "devdox" ]; then $0 echo develop echo \ doxygen \ texlive-latex-base \ texlive-base-bin \ else echo error_unknown_target_$2 fi else echo "Ubuntu for ARB installer" test -f $ARB_PACKAGES && rm $ARB_PACKAGES PACKAGES=`$0 echo $1` ALLPACKAGES=`echo $PACKAGES;test -f $ARB_PACKAGES && cat $ARB_PACKAGES` echo "Packages needed for '$1': `echo $ALLPACKAGES | wc -w`" # listwords $PACKAGES echo '-------------------- [apt start]' apt-get -y install $PACKAGES echo '-------------------- [apt end]' if [ -f $ARB_PACKAGES ]; then echo "Packages provided by ARB developers: `cat $ARB_PACKAGES | wc -w`" listwords `cat $ARB_PACKAGES` DISTRIB=`cat /etc/lsb-release | grep DISTRIB_CODENAME | perl -npe 's/^.*=//'` SOURCE="deb http://dev.mikro.biologie.tu-muenchen.de/debian $DISTRIB non-free" echo '-------------------- [apt start]' apt-get install \ `cat $ARB_PACKAGES` \ || ( \ echo "-----------------------------------------" ;\ echo "Install of arb-specific libraries failed!" ;\ echo "Did you add the line" ;\ echo "$SOURCE" ;\ echo "to /etc/apt/sources.list, e.g. using" ;\ echo "" ;\ echo "sudo bash -c 'echo $SOURCE >> /etc/apt/sources.list'" ;\ echo "sudo aptitude update" ;\ echo "???" ;\ ) echo '-------------------- [apt end]' fi test -f $ARB_PACKAGES && rm $ARB_PACKAGES fi fi ./arbsrc_9167/SH/arb_ludwig0000755012664100000130000000002611213220015015477 0ustar arb_buildcoders#!/bin/sh arb_remote ./arbsrc_9167/SH/arb_panic0000755012664100000130000000354311440743001015314 0ustar arb_buildcoders#!/bin/sh umask 066 # user read/write seperator() { echo "*************************************** $*" } err () { seperator ERROR 1>&2 echo "`basename $0`: $@" 1>&2 exit 1 } chooser="/tmp/arb_pids_${USER}_*" seperator PANIC echo " This Module tries to save a running database" echo " There may be more than one database server (ARB_NT):" echo " --------------------------------" for i in $chooser ; do /bin/echo " - >" `ls $i` "<"; done echo " --------------------------------" seperator echo "Please choose one line and enter the rightmost number" read ARB_PID if [ ! -f /tmp/arb_pids_${USER}_${ARB_PID} ]; then err "Incorrect Choice" fi seperator echo "Please enter full path (to save DB):" read FILE panicfile="/tmp/arb_panic_${USER}_${ARB_PID}" rm -f $panicfile echo "$FILE" >$panicfile ok=false for i in `cat /tmp/arb_pids_${USER}_${ARB_PID}`; do echo "[Sending SIGHUP to pid $i]" if kill -HUP $i 2>/dev/null; then ok=true echo "[Process $i accepted HUP]" break fi done if [ "$ok" = "false" ]; then err "Sorry could not find a running server" fi seperator echo "Wait until database is saved (or press to abort)" while [ -f $panicfile ]; do echo "[waiting]" sleep 1 if [ -f $panicfile] ; then sleep 1 if [ -f $panicfile] ; then sleep 1 if [ -f $panicfile] ; then sleep 1 if [ -f $panicfile] ; then sleep 1 fi fi fi fi done seperator echo "enter 'kill' if you want to kill the server and its clients" echo "enter 'killall' if you want to kill ALL servers and clients" read ki if [ "$ki" = "kill" ] ; then echo "[Sending SIGTERM to pid $i]" kill -TERM $i fi if [ "$ki" = "killall" ] ; then arb_clean fi ./arbsrc_9167/SH/arb_phyml0000755012664100000130000000624111213220015015342 0ustar arb_buildcoders#!/bin/bash -x showinput() { echo '------------------' cat - echo '------------------' } switchmodel() { if [ $1 = 0 ]; then echo "" else echo "m `switchmodel $[$1-1]`" fi } PHYML=$ARBHOME/bin/phyml if [ \! -x $PHYML ]; then arb_message 'Error: You have to install phyml and link it into $ARBHOME/bin\n(e.g.: cd ARBHOME/bin; ln -s /path/to/your/phyml .)' else INFILE=$1; shift DATATYPE=$1; shift MODEL=$1; shift if [ "$DATATYPE" = "DNA" ]; then OPTFREQ=$1; shift BASEFREQEST=$1; shift TSTVRATIO=$1; shift PINVAR=$1; shift else if [ "$DATATYPE" = "AA" ]; then PINVAR=$1; shift else echo "Invalid datatype '$DATATYPE'" exit 1 fi fi INTERACTIVE=$1; shift if [ -z $INTERACTIVE -o \! -z $1 ]; then echo 'Usage: arb_phyml seqfile DNA substmodel optfreq basefreqest tstvratio pinvar interactive' echo 'Usage: arb_phyml seqfile AA substmodel pinvar interactive' else # echo "INFILE='$INFILE'" # echo "DATATYPE='$DATATYPE'" # echo "MODEL='$MODEL'" # echo "OPTFREQ='$OPTFREQ'" # echo "BASEFREQEST='$BASEFREQEST'" # echo "TSTVRATIO='$TSTVRATIO'" # echo "PINVAR='$PINVAR'" # echo "INTERACTIVE='$INTERACTIVE'" ARGS=$INFILE SETMODEL=`switchmodel $MODEL` if [ "$DATATYPE" = "AA" ]; then ARGS="$ARGS d $SETMODEL" if [ $PINVAR = 1 ]; then ARGS="$ARGS v y" fi else ARGS="$ARGS $SETMODEL" if [ $OPTFREQ = 1 ]; then if [ $MODEL = 4 ]; then ARGS="$ARGS e" else arb_message "'Optimize equilibrium frequencies' only applies to 'custom' model. Ignored." fi fi if [ $BASEFREQEST = 1 ]; then if [ $MODEL = 5 -o $MODEL = 6 -o $MODEL = 4 ]; then arb_message "'Base frequency estimates' does not apply to chosen model. Ignored." else ARGS="$ARGS e" fi fi if [ $TSTVRATIO = 1 ]; then if [ $MODEL = 3 -o $MODEL = 4 -o $MODEL = 5 -o $MODEL = 7 ]; then arb_message "'Ts/tv ratio' does not apply to chosen model. Ignored." else ARGS="$ARGS t y" fi fi if [ $PINVAR = 1 ]; then if [ $MODEL = 4 ]; then arb_message "'Proportion of invariable sites' does not apply to chosen model. Ignored." else ARGS="$ARGS v y" fi fi fi # PHYML=showinput if [ $INTERACTIVE = 1 ]; then (arb_echo $ARGS; cat -) | $PHYML else arb_echo $ARGS y | $PHYML fi TREEFILE=infile_phyml_tree.txt if [ \! -s $TREEFILE ]; then arb_message "'$TREEFILE' was not generated or is empty" else echo >arb_read_tree_args mv $TREEFILE outtree fi fi fi ./arbsrc_9167/SH/arb_proml0000755012664100000130000000355511213220015015347 0ustar arb_buildcoders#!/bin/bash -x BOOTSTRAP=$1 ; shift MODEL=$1 ; shift REPORT=$1 ; shift ANALYSIS=$1 ; shift RANDOMIZE=$1 ; shift REARRANGE=$1 ; shift RATE_VARIATION=$1 ; shift VARIATION_COEFF=$1 ; shift HMM_RATES=$1 ; shift INV_FRACTION=$1 ; shift INTERACTIVE=$1 ; shift if [ -z "$INTERACTIVE" ]; then echo "Usage: arb_proml bootstrap aachangemodel viewreport analysis randomize rearrange rate_variation variation_coeff hmm_rates inv_fraction interactive" else FLAGS="" ADD_PARA="" if [ "$MODEL" = "PAM" ]; then FLAGS="$FLAGS p" fi if [ "$ANALYSIS" = "fine" ]; then FLAGS="$FLAGS s" fi if [ "$RANDOMIZE" = "1" ]; then RANDOMSEED=$(($RANDOM|1)) # a odd number FLAGS="$FLAGS j $RANDOMSEED 1" fi if [ "$REARRANGE" = "1" ]; then FLAGS="$FLAGS g" fi case $RATE_VARIATION in 0) ;; 1) FLAGS="$FLAGS r" ADD_PARA="$ADD_PARA $VARIATION_COEFF $HMM_RATES" ;; 2) FLAGS="$FLAGS r r" ADD_PARA="$ADD_PARA $VARIATION_COEFF $HMM_RATES $INV_FRACTION" ;; *) echo "Illegal value for 'rate_variation'" exit 1 ;; esac if [ "$BOOTSTRAP" = "0" ]; then if [ "$INTERACTIVE" = "0" ]; then arb_echo $FLAGS y $ADD_PARA | proml else (arb_echo $FLAGS ; cat - ) | ( proml ; echo "Press RETURN to continue.." ) fi #proml echo >arb_read_tree_args WHAT=proml else arb_bootstrap $BOOTSTRAP proml $FLAGS WHAT=arb_bootstrap/proml/consense fi if [ -f outfile ]; then if [ -s outfile ]; then if [ "$REPORT" = "1" ]; then arb_textedit outfile & fi else echo "$WHAT: Warning: generated 'outfile' is empty" fi else echo "$WHAT: Warning: 'outfile' was not created" fi fi ./arbsrc_9167/SH/arb_protpars0000755012664100000130000000227011213220015016061 0ustar arb_buildcoders#!/bin/bash -x if [ -z "$6" ]; then echo "Usage: arb_protpars bootstrap geneticcode viewreport randomize threshold_pars interactive" else BOOTSTRAP=$1 CODE=$2 REPORT=$3 RANDOMIZE=$4 THRESHOLD_PARS=$5 INTERACTIVE=$6 FLAGS="c $CODE" if [ "$RANDOMIZE" = "1" ]; then RANDOMSEED=$(($RANDOM|1)) # a odd number FLAGS="$FLAGS j $RANDOMSEED 1" fi if [ \! "$THRESHOLD_PARS" = "0" ]; then FLAGS="$FLAGS t $THRESHOLD_PARS" fi if [ "$BOOTSTRAP" = "0" ]; then if [ "$INTERACTIVE" = "0" ]; then arb_echo $FLAGS y | protpars else (arb_echo $FLAGS ; cat -) | ( protpars ; echo "Press RETURN to continue.." ) fi echo >arb_read_tree_args WHAT=protpars else arb_bootstrap $BOOTSTRAP protpars $FLAGS WHAT=arb_bootstrap/protpars/consense fi if [ -f outfile ]; then if [ -s outfile ]; then if [ "$REPORT" = "1" ]; then arb_textedit outfile & fi else echo "$WHAT: Warning: generated 'outfile' is empty" fi else echo "$WHAT: Warning: 'outfile' was not created" fi fi ./arbsrc_9167/SH/arb_raxml0000755012664100000130000001441411440743001015344 0ustar arb_buildcoders#!/bin/bash -x # renames output to 'treefile' usage() { arb_message "arb_raxml called with wrong parameters (look @ console for errors)" echo "Usage:" echo " arb_raxml 'DNA' SEQFILE WEIGHTS TREE CONSTRAINT RANDOMSTART OPTIMIZEPARAMETERS SEARCH INITIALREARRANGEMENT SEED NUMBEROFRUNS TAKETREES [import|consense] RATEMODELNUC NUMCATEGORIES" echo " arb_raxml 'PROTEIN' SEQFILE WEIGHTS TREE CONSTRAINT RANDOMSTART OPTIMIZEPARAMETERS SEARCH INITIALREARRANGEMENT SEED NUMBEROFRUNS TAKETREES [import|consense] RATEMODELPROT MATRIXNAME" exit 1 } if [ -z "${13}" ]; then usage else # parameters common for DNA and PROTEIN DATA=$1 ; shift SEQFILE=$1 ; shift WEIGHTS=$1 ; shift TREE=$1 ; shift CONSTRAINT=$1 ; shift RANDOMSTART=$1 ; shift OPTIMIZEPARAMETERS=$1 ; shift SEARCH=$1 ; shift INITIALREARRANGEMENT=$1 ; shift SEED=$1 ; shift NUMBEROFRUNS=$1 ; shift TAKETREES=$1 ; shift CONSENSE=$1 ; shift if [ -z "$CONSENSE" ]; then usage fi if [ "$DATA" == "DNA" ]; then if [ -z "$1" ]; then usage fi RATEMODELNUC=$1 NUMCATEGORIES=$2 else if [ "$DATA" == "PROTEIN" ]; then # if [ -z "$2" ]; then # usage # fi RATEMODELPROT=$1 MATRIXNAME=$2 else arb_message "Unknown datatype '$DATA'" exit 1 fi fi if [ -z "$SEED" ]; then # seconds since 1970 SEED=`date +%s` fi # check inputfiles if [ \! -s $SEQFILE ]; then arb_message "Missing or empty sequence file '$SEQFILE'" exit 1 fi if [ \! -s $WEIGHTS ]; then arb_message "Missing or empty weights file '$WEIGHTS'" exit 1 fi # generate tree file TREEPARAMS= HAVEINPUTTREE=0 if [ "$TREE" != "????" -a ! -z "$TREE" ]; then CMD="arb_export_tree $TREE" echo "$CMD" echo `$CMD > treefile.in` if [ \! -s treefile.in ]; then arb_message "Couldn't export tree '$TREE'" exit 1 fi if [ "$CONSTRAINT" == "1" ]; then TREEPARAMS="-r treefile.in" else TREEPARAMS="-t treefile.in" fi HAVEINPUTTREE=1 else if [ "$RANDOMSTART" == "1" ]; then TREEPARAMS=-d fi # otherwise use default parsimony tree fi # model dependent parameters DEPENDENT_PARAMS= if [ "$OPTIMIZEPARAMETERS" == "1" ]; then if [ "$DATA" == "DNA" ]; then case "$RATEMODELNUC" in GTRMIX | GTRGAMMA ) DEPENDENT_PARAMS="$DEPENDENT_PARAMS -k" ;; * ) arb_message "Ignored 'Optimize branches/parameters'\n(only usable with GTRMIX or GTRGAMMA)" ;; esac else case "$RATEMODELPROT" in "PROTMIX" | "PROTGAMMA" ) DEPENDENT_PARAMS="$DEPENDENT_PARAMS -k" ;; * ) arb_message "Ignored 'Optimize branches/parameters'\n(only usable with PROTMIX or PROTGAMMA)" ;; esac fi fi if [ "$DATA" == "DNA" ]; then if [ "$RATEMODELNUC" == "GTRCAT" ]; then DEPENDENT_PARAMS="$DEPENDENT_PARAMS -c $NUMCATEGORIES" fi fi # search algorithm NEEDINPUTTREE=0 USESINPUTTREE=0 NEEDGAMMA=0 GENERATEDTREES=$NUMBEROFRUNS case "$SEARCH" in "e" ) NEEDINPUTTREE=1 NEEDGAMMA=1 ;; "t" ) NEEDINPUTTREE=1 ;; "d" ) # modes that use (but don't expect) an inputtree USESINPUTTREE=1 ;; "a" ) # rapid bootstrap analysis DEPENDENT_PARAMS="$DEPENDENT_PARAMS -x $SEED" GENERATEDTREES=1 if [ "$TAKETREES" != "1" ]; then arb_message "'rapid bootstrap analysis' only creates 1 tree\n(can't select $TAKETREES trees, falling back to 1)" TAKETREES=1 fi ;; "p" ) # add new sequences (MP) NEEDINPUTTREE=1 GENERATEDTREES=1 if [ "$NUMBEROFRUNS" != "1" ]; then arb_message "Ignoring number of runs (only performing 1 run)" NUMBEROFRUNS=1 fi TAKETREES=1 ;; esac if [ "$NEEDINPUTTREE" != "$HAVEINPUTTREE" ]; then if [ "$NEEDINPUTTREE" == "1" ]; then arb_message "Please select an input tree" exit 1; else if [ "$USESINPUTTREE" == "0" ]; then arb_message "Given input tree ignored" # dont use tree: TREEPARAMS= fi fi fi if [ "$NEEDGAMMA" == "1" ]; then if [ "$DATA" == "DNA" ]; then case "$RATEMODELNUC" in "GTRGAMMA" | "GTRGAMMAI" ) ;; * ) arb_message "Please choose GAMMA substitution model" exit 1 ;; esac else case "$RATEMODELPROT" in "PROTGAMMA" | "PROTGAMMAI" ) ;; * ) arb_message "Please choose GAMMA rate model" exit 1 ;; esac fi fi MODELPARAMS= if [ "$DATA" == "DNA" ]; then MODELPARAMS="-m $RATEMODELNUC" else MODELPARAMS="-m $RATEMODELPROT$MATRIXNAME" fi # build parameters for raxml RAXMLPARAMS="$MODELPARAMS -f $SEARCH" if [ ! -z "$INITIALREARRANGEMENT" ]; then RAXMLPARAMS="$RAXMLPARAMS -i $INITIALREARRANGEMENT" # otherwise autodetect by RAxML fi if [ "$NUMBEROFRUNS" != "1" ]; then RAXMLPARAMS="$RAXMLPARAMS -# $NUMBEROFRUNS" fi RAXMLPARAMS="$RAXMLPARAMS -s $SEQFILE -a $WEIGHTS $TREEPARAMS $DEPENDENT_PARAMS -n ThisRun" echo "------------------------------------------" echo "Calling raxmlHPC $RAXMLPARAMS" time raxmlHPC $RAXMLPARAMS echo "------------------------------------------" # ../PERL_SCRIPTS/ARBTOOLS/raxml2arb.pl raxml2arb.pl ThisRun "$GENERATEDTREES" "$TAKETREES" "$CONSENSE" fi ./arbsrc_9167/SH/arb_remote0000755012664100000130000000050312050705371015514 0ustar arb_buildcoders#!/bin/sh # run ARB on a remote machine. echo ' ******************************************************************' echo 'Please enter the NAME of the machine, where you want to start ARB:' read a pwd=`pwd` ssh -f -X $a "xterm -sb -sl 2000 -e sh -c \"cd $pwd;pwd; arb;echo press ctrl-c to close log window;sleep 300000\"" ./arbsrc_9167/SH/arb_repair0000755012664100000130000000100611213220015015465 0ustar arb_buildcoders#!/bin/sh if [ -z "$2" ]; then echo "Usage: arb_repair database outputdatabase [-m] [-r] [-c[tree_xxx]]" echo " -m create map file too" echo " -r try to repair destroyed database" echo " -c[tree_xxx] optimize database using tree_xxx or largest tree" else echo "Repairing database $1 .. get yourself a coffee. :)" echo "" echo "Running 'arb_2_ascii $1 - | arb_2_bin $3 $4 $5 - $2'" arb_2_ascii $1 - | arb_2_bin $3 $4 $5 - $2 ls -al $1 $2 fi ./arbsrc_9167/SH/arb_sleep0000755012664100000130000000011611213220015015314 0ustar arb_buildcoders#!/bin/sh echo 'Press control-c to close window, or wait 60 seconds' sleep 60 ./arbsrc_9167/SH/arb_textedit0000755012664100000130000000356211656765615016105 0ustar arb_buildcoders#!/bin/bash IS_X_EDITOR=0# no idea if [ -z "$ARB_TEXTEDIT" ]; then echo '$ARB_TEXTEDIT is not defined - searching for an editor..' echo '' # try to find an editor (order = basic to convinient; last found is used): if [ -x "`which edit`" ] ; then ARB_TEXTEDIT=edit; IS_X_EDITOR=0; fi if [ -x "`which editor`" ] ; then ARB_TEXTEDIT=editor ; IS_X_EDITOR=0; fi if [ -x "`which vi`" ] ; then ARB_TEXTEDIT=vi ; IS_X_EDITOR=0; fi if [ -x "`which vim`" ] ; then ARB_TEXTEDIT=vim ; IS_X_EDITOR=0; fi if [ -x "`which emacs`" ] ; then ARB_TEXTEDIT=emacs ; IS_X_EDITOR=1; fi if [ -x "`which xemacs`" ] ; then ARB_TEXTEDIT=xemacs ; IS_X_EDITOR=1; fi if [ -x "`which xedit`" ] ; then ARB_TEXTEDIT=xedit ; IS_X_EDITOR=1; fi if [ -x "`which textedit`" ] ; then ARB_TEXTEDIT=textedit; IS_X_EDITOR=1; fi if [ -x "`which kwrite`" ] ; then ARB_TEXTEDIT=kwrite ; IS_X_EDITOR=1; fi if [ -x "`which kate`" ] ; then ARB_TEXTEDIT=kate ; IS_X_EDITOR=1; fi if [ -x "`which gedit`" ] ; then ARB_TEXTEDIT=gedit ; IS_X_EDITOR=1; fi if [ -z "$ARB_TEXTEDIT" ]; then echo "Can't guess an editor. Even 'vi' seems to be absent." echo "Please set the environment variable \$ARB_TEXTEDIT to the" echo "name of your preferred text editor." echo "" echo "Press ENTER to continue.." read x exit 1; fi echo '' echo "Using '$ARB_TEXTEDIT' as text editor." fi if [ -z "$1" ]; then echo "Usage: arb_textedit filename" echo "Edits a file using $ARB_TEXTEDIT" else if [ $IS_X_EDITOR = 1 ]; then $ARB_TEXTEDIT $1 else ${ARB_XCMD:-xterm -geometry 120x50 -e} $ARB_TEXTEDIT $1 fi fi ./arbsrc_9167/SH/arb_textprint0000755012664100000130000000004011213220015016241 0ustar arb_buildcoders#!/bin/sh arb_wetc -fileedit $1 ./arbsrc_9167/SH/arb_trace0000755012664100000130000000134311250174507015324 0ustar arb_buildcoders#!/bin/bash args="$*" echo "Running ARB in debugger (gdb)" arb_echo "set args $args" "source $ARBHOME/SOURCE_TOOLS/trace.gdb" > ARB_debug.commands gdb -n -batch -command=ARB_debug.commands arb_ntree >& ARB_debug.log # gdb -n -command=ARB_debug.commands arb_ntree | tee ARB_debug.log echo "----------------------------------------" >> ARB_debug.log echo "arb_ntree was called with: '$args'" >> ARB_debug.log cat $ARBHOME/TEMPLATES/svn_revision.h >>ARB_debug.log svn info >>ARB_debug.log echo "----------------------------------------" >> ARB_debug.log gzip ARB_debug.log stamp=`date '+%Y%m%d_%H%M%S'` mv ARB_debug.log.gz ARB_debug_$stamp.log.gz echo "----------------------------------------" echo "Generated ARB_debug_$stamp.log.gz" ./arbsrc_9167/SH/arb_wait0000755012664100000130000000006611213220015015154 0ustar arb_buildcoders#!/bin/sh echo 'Press return to close window' read a ./arbsrc_9167/SH/arb_who0000755012664100000130000000040711213220015015004 0ustar arb_buildcoders#!/bin/sh host=`uname -n` if test -f /usr/ucb/ps; then /usr/ucb/ps auxw | grep arb_ | grep -v 'sh' | grep -v grep |grep -v '/bin/sh' | sed -e "s/^/$host\:/g" else ps auxw | grep arb_ | grep -v 'sh' | grep -v grep |grep -v '/bin/sh' | sed -e "s/^/$host\:/g" fi ./arbsrc_9167/SH/dszmconnect.pl0000755012664100000130000000635711213220015016336 0ustar arb_buildcoders#!/usr/bin/perl -w # switches for stringent coding and debugging # This program is an adapter between the ARB program package and the DSZM website. # It allows to run a taxonomic query using the web form offered by the DSZM via # the http-POST method implemented by the LWP package of perl. # Subsequent modification of relative URLs into absolute one allows allows the browser # started by ARB to connect with the DSZM website. # (c) Lothar Richter Oct. 2003 use strict; use diagnostics; # script for automated information retrieval from DSZM # moduls in use use LWP::Simple; use HTTP::Request::Common qw(POST); use LWP::UserAgent; #die"code successful parsed and compiled\n"; my $errordocument = " DSMZ Failure

    DSZM Access Error


    You have given no search items! Please give at least on search item to access the taxonomic search tool at the DSMZ!
    Lothar Richter
    Last modified: Mon Sep 8 14:25:42 CEST 2003 "; open (OUTPUT , "> /tmp/arbdsmz.html") or die "cannot open input file /tmp/arbdsmz.html"; if (scalar(@ARGV) == 0) {print OUTPUT $errordocument; die("no search items given ! Give at least one item!");} ##print length(@ARGV)."\n"; my $item1 = shift() || ""; ##print $item1."\n"; my $item2 = shift() || ""; print STDERR "Searching for '$item1'\n"; print STDERR "Searching for '$item2'\n"; #-------------------------------------------------------------------------------- # begin of post-method emulations #-------------------------------------------------------------------------------- my $ua_selection = LWP::UserAgent ->new ; #$ua_selection -> agent ("UpdateAgent/0.1" . $ua_selection -> agent); ##my $req_selection = new HTTP::Request POST => $baseURL; my $req_selection = HTTP::Request -> new( POST => 'http://www.dsmz.de/cgi-bin/dsmzfind.pl'); ##my $req_selection = HTTP::Request -> new( POST => $baseURL); $req_selection->content_type('application/x-www-form-urlencoded'); # my $selection_content = 'VAR_DATABASE=bact&VAR_HITS=25&VAR_DSMZITEM=Escherichia&VAR_DSMZITEM2=coli&B1=Search'; my $selection_content = 'VAR_DATABASE=bact&VAR_HITS=25&VAR_DSMZITEM='."$item1".'&VAR_DSMZITEM2='."$item2".'&B1=Search'; $req_selection->content($selection_content); # Pass request to the user agent and get a response back my $res_selection = $ua_selection -> request($req_selection, '/tmp/arbdsmz.htm'); # Check the outcome of the response if ($res_selection->is_success) {print $res_selection->content;} else {die "Bad luck this time, request failed\n";}; open (INPUT , "< /tmp/arbdsmz.htm") or die "cannot open input file /tmp/arbdsmz.htm"; my $htmlcontent; { local $/; $htmlcontent = ; } ##print "$htmlcontent\n"; ##$htmlcontent =~ s{(.*HREF=")(\/w+)}{$1http:\/\/www.dszm.de$1}igm; ##" $htmlcontent =~ s{HREF="}{HREF="http://www.dsmz.de}igm; $htmlcontent =~ s{HREF=[^"]}{HREF=http://www.dsmz.de/}igm; ##" print OUTPUT $htmlcontent ; #exec ('netscape', '/tmp/arbdsmz.html'); print "file:///tmp/arbdsmz.html"; ##print "$htmlcontent\n"; ./arbsrc_9167/SH/example_batch_probe_match.sh0000755012664100000130000000142411440743001021142 0ustar arb_buildcoders#!/bin/bash # # This is an example script showing how to match multiple probes # with one call. # # Start a shell using 'ARB_NTREE/Tools/Start XTERM' and run this # script from there. # # Before running this script, start the targetted PT_Server from # inside ARB - otherwise this script will not terminate for a long time. # specify your probe match parameters here: PARAMS='serverid=2 matchmismatches=1' # Note: Call 'arb_probe' from the command line to see other supported parameters. match() { echo "Matching $1" arb_probe $PARAMS matchsequence=$1 } match_all() { # add/modify lines below to suit your needs: match CCTCAGTACGAA match AACCGGTTAACC match ACTGACTGGGCU match ACCTGGACTTTT } match_all | sed -e 's/\x01/\x0a/g' ./arbsrc_9167/SH/README0000644012664100000130000000414111656765615014353 0ustar arb_buildcoders User scripts ------------ Scripts stored SH are delivered to users with ARB releases. User scripts: arb Used to start arb arb_clean Kill running arb processes (does not kill pt servers) arb_installubuntu4arb.sh Install Ubuntu environment for ARB arb_remote Run ARB on a remote machine using ssh arb_panic Try to save database of running ARB (e.g. if ARB does not react) arb_repair Try to repair a broken database arb_who Show arb processes dszmconnect.pl adapter between the ARB program package and the DSZM website example_batch_probe_match.sh probe match from command line Scripts used by ARB or from other scripts: arb_dnapars wrapper for dnapars arb_echo spread parameters to multiple lines arb_fastdnaml wrapper for fastdnaml arb_ign used to ignore some arguments from command line arb_ludwig (alias for arb_remote) arb_phyml wrapper for phyml arb_proml wrapper for proml arb_protpars wrapper for protpars arb_raxml wrapper for raxml arb_sleep Keeps terminal windows open for 60 seconds (unused) arb_textedit Used to edit textfiles arb_textprint Used to print textfiles arb_wait Keep terminal windows open until user presses ENTER Undocumented / maybe obsolete: @@@ FIXME: examine and remove or document these scripts arb_ale arb_bootstrap ./arbsrc_9167/SL/AW_HELIX/AW_helix.cxx0000644012664100000130000002211011440743001017127 0ustar arb_buildcoders// ==================================================================== // // // // File : AW_helix.cxx // // Purpose : Wrapper for BI_helix + AW-specific functions // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #include "AW_helix.hxx" #include #include #include #include #define HELIX_AWAR_ENABLE "Helix/enable" #define HELIX_AWAR_SYMBOL_TEMPLATE "Helix/symbols/%s" #define HELIX_AWAR_PAIR_TEMPLATE "Helix/pairs/%s" struct helix_pair_def { const char *awar; BI_PAIR_TYPE pair_type; }; helix_pair_def helix_awars[] = { { "Strong_Pair", HELIX_STRONG_PAIR }, { "Normal_Pair", HELIX_PAIR }, { "Weak_Pair", HELIX_WEAK_PAIR }, { "No_Pair", HELIX_NO_PAIR }, { "User_Pair", HELIX_USER0 }, { "User_Pair2", HELIX_USER1 }, { "User_Pair3", HELIX_USER2 }, { "User_Pair4", HELIX_USER3 }, { "Default", HELIX_DEFAULT }, { "Non_Standard_aA", HELIX_NON_STANDARD0 }, { "Non_Standard1", HELIX_NON_STANDARD1 }, { "Non_Standard2", HELIX_NON_STANDARD2 }, { "Non_Standard3", HELIX_NON_STANDARD3 }, { "Non_Standard4", HELIX_NON_STANDARD4 }, { "Non_Standard5", HELIX_NON_STANDARD5 }, { "Non_Standard6", HELIX_NON_STANDARD6 }, { "Non_Standard7", HELIX_NON_STANDARD7 }, { "Non_Standard8", HELIX_NON_STANDARD8 }, { "Non_Standard9", HELIX_NON_STANDARD9 }, { "Not_Non_Standard", HELIX_NO_MATCH }, { 0, HELIX_NONE }, }; inline const char *helix_symbol_awar(int idx) { return GBS_global_string(HELIX_AWAR_SYMBOL_TEMPLATE, helix_awars[idx].awar); } inline const char *helix_pair_awar (int idx) { return GBS_global_string(HELIX_AWAR_PAIR_TEMPLATE, helix_awars[idx].awar); } AW_helix::AW_helix(AW_root * aw_root) : enabled(0) { for (int j=0; helix_awars[j].awar; j++){ int i = helix_awars[j].pair_type; aw_root->awar_string(helix_pair_awar(j), pairs[i]) ->add_target_var(&pairs[i]); aw_root->awar_string(helix_symbol_awar(j), char_bind[i])->add_target_var(&char_bind[i]); } aw_root->awar_int(HELIX_AWAR_ENABLE, 1)->add_target_var(&enabled); } char AW_helix::get_symbol(char left, char right, BI_PAIR_TYPE pair_type){ left = toupper(left); right = toupper(right); int erg; if (pair_type < HELIX_NON_STANDARD0) { erg = *char_bind[HELIX_DEFAULT]; for (int i = HELIX_STRONG_PAIR; i< HELIX_NON_STANDARD0; i++){ if (is_pairtype(left,right,(BI_PAIR_TYPE)i)){ erg = *char_bind[i]; break; } } } else { erg = *char_bind[HELIX_NO_MATCH]; if (is_pairtype(left,right,pair_type)) erg = *char_bind[pair_type]; } if (!erg) erg = ' '; return erg; } char *AW_helix::seq_2_helix(char *sequence,char undefsymbol){ size_t size2 = strlen(sequence); bi_assert(size2<=size()); // if this fails there is a sequence longer than the alignment char *helix = (char *)GB_calloc(sizeof(char),size()+1); size_t i,j; for (i=0; ipairtype(i); if (pairType == HELIX_NONE) { buffer[k] = ' '; } else { j = helix->opposite_position(i); char pairchar = jget_symbol(opt_string[i],pairchar, pairType); } } buffer[size] = 0; return device->text(gc,buffer,x,y,0.0,(AW_bitset)-1,cd1,cd2); } int AW_helix::show_helix( void *devicei, int gc1 , char *sequence, AW_pos x, AW_pos y, AW_bitset filter, AW_CL cd1, AW_CL cd2){ if (!has_entries()) return 0; AW_device *device = (AW_device *)devicei; return device->text_overlay(gc1, sequence, 0, x , y, 0.0 , filter, (AW_CL)this, cd1, cd2, 1.0,1.0, BI_show_helix_on_device); } static void helix_pairs_changed_cb(AW_window *aww, AW_CL changed, AW_CL cl_cb_struct) { static bool recursion = false; if (!recursion) { AW_cb_struct *awcbs = reinterpret_cast(cl_cb_struct); AW_root *aw_root = aww->get_root(); AW_awar *awar_pair = aw_root->awar(helix_pair_awar(changed)); char *pairdef = awar_pair->read_string(); recursion = true; for (int i = 0; ; i += 3) { char left = toupper(pairdef[i]); if (!left) break; char right = toupper(pairdef[i+1]); if (!right) break; pairdef[i] = left; pairdef[i+1] = right; for (int j = 0; helix_awars[j].awar; j++) { if (j != changed) { AW_awar *awar_pair2 = aw_root->awar(helix_pair_awar(j)); char *pd2 = awar_pair2->read_string(); int dst = 0; bool modified = false; for (int k = 0; ; k += 3) { char l = toupper(pd2[k]); if (!l) break; char r = toupper(pd2[k+1]); if (!r) break; if ((left == l && right == r) || (left == r && right == l)) { // remove duplicated pair modified = true; } else { pd2[dst] = l; pd2[dst+1] = r; dst += 3; } if (!pd2[k+2]) break; } if (modified) { pd2[dst-1] = 0; awar_pair2->write_string(pd2); } free(pd2); } } if (!pairdef[i+2]) break; } awar_pair->write_string(pairdef); // write back uppercase version recursion = false; awcbs->run_callback(); free(pairdef); } } AW_window *create_helix_props_window(AW_root *awr, AW_cb_struct *awcbs){ static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init(awr, "HELIX_PROPS", "HELIX_PROPERTIES"); aws->at(10,10); aws->auto_space(3,3); aws->callback(AW_POPDOWN); aws->create_button("CLOSE", "CLOSE", "C"); aws->callback( AW_POPUP_HELP, (AW_CL)"helixsym.hlp"); aws->create_button("HELP","HELP","H"); aws->at_newline(); const size_t max_awar_len = 18; aws->label_length(max_awar_len); aws->label("Show helix?"); aws->callback(awcbs); aws->create_toggle(HELIX_AWAR_ENABLE); aws->at_newline(); int ex = 0; for (int j = 0; helix_awars[j].awar; j++) { int i = helix_awars[j].pair_type; aw_assert(strlen(helix_awars[j].awar) <= max_awar_len); if (i != HELIX_DEFAULT && i!= HELIX_NO_MATCH ) { aws->label(helix_awars[j].awar); aws->callback(helix_pairs_changed_cb, j, (AW_CL)awcbs); aws->create_input_field(helix_pair_awar(j), 20); if (j == 0) ex = aws->get_at_xposition(); } else { aw_assert(j != 0); aws->create_autosize_button(0,helix_awars[j].awar); aws->at_x(ex); } aws->callback(awcbs); aws->create_input_field(helix_symbol_awar(j), 3); aws->at_newline(); } aws->window_fit(); } return aws; } ./arbsrc_9167/SL/AW_HELIX/AW_helix.hxx0000644012664100000130000000325511440743001017145 0ustar arb_buildcoders// ==================================================================== // // // // File : AW_helix.hxx // // Purpose : Wrapper for BI_helix + AW-specific functions // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef AW_HELIX_HXX #define AW_HELIX_HXX #ifndef BI_HELIX_HXX #include #endif #ifndef AW_ROOT_HXX #include #endif class AW_cb_struct; class AW_helix: public BI_helix { long enabled; // draw or not public: AW_helix(AW_root *awroot); char *seq_2_helix(char *sequence,char undefsymbol = ' '); char get_symbol(char left, char right, BI_PAIR_TYPE pair_type); int show_helix( void *device, int gc1 , char *sequence, AW_pos x, AW_pos y, AW_bitset filter, AW_CL cd1, AW_CL cd2); bool is_enabled() const { return (enabled != 0) && (size()>0); } }; AW_window *create_helix_props_window(AW_root *awr, AW_cb_struct * /*owner*/awcbs); #else #error AW_helix.hxx included twice #endif // AW_HELIX_HXX ./arbsrc_9167/SL/AW_HELIX/Makefile0000644012664100000130000000257011440743001016353 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = AW_helix.o OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl AW_helix.o: AW_helix.hxx AW_helix.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_helix.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_helix.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_helix.o: $(ARBHOME)/INCLUDE/arbdb.h AW_helix.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_helix.o: $(ARBHOME)/INCLUDE/attributes.h AW_helix.o: $(ARBHOME)/INCLUDE/aw_device.hxx AW_helix.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx AW_helix.o: $(ARBHOME)/INCLUDE/aw_position.hxx AW_helix.o: $(ARBHOME)/INCLUDE/aw_root.hxx AW_helix.o: $(ARBHOME)/INCLUDE/aw_window.hxx AW_helix.o: $(ARBHOME)/INCLUDE/BI_helix.hxx ./arbsrc_9167/SL/AW_NAME/AW_names_admin.cxx0000644012664100000130000000701311440743001020145 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include "AW_rename.hxx" static char *namesFilename(AW_CL cl_gb_main) { const char *field = AW_get_nameserver_addid((GBDATA*)cl_gb_main); const char *filename = field[0] ? GBS_global_string("names_%s.dat", field) : "names.dat"; char *fullname = nulldup(GB_path_in_ARBLIB("nas", filename)); return fullname; } static void awtc_delete_names_file(AW_window *aws, AW_CL cl_gb_main) { AWUSE(aws); char *path = namesFilename(cl_gb_main); char *newpath = GBS_string_eval(path,"*=*%",0); GB_ERROR error = GB_rename_file(path,newpath); if (error) aw_message(error); free(newpath); free(path); } static void awtc_edit_names_file(AW_window */*aws*/, AW_CL cl_gb_main){ char *path = namesFilename(cl_gb_main); AWT_edit(path); free(path); } static void awtc_remove_arb_acc(AW_window */*aws*/, AW_CL cl_gb_main){ char *path = namesFilename(cl_gb_main); char *newpath = GBS_string_eval(path,"*=*%",0); char *command = GBS_global_string_copy("cp %s %s;" "arb_replace -l '" "*ACC {}*=:" // remove entries w/o acc // "*ACC {TUM*=:" // remove entries with TUM prefix (disabled Apr 2009 - very old prefix) "*ACC {ARB*='" // remove entries with 'ARB_' prefix (Note: Nameserver does not store the '_'!) " %s", path, newpath, path); GB_ERROR error = GB_system(command); if (error) aw_message(error); free(command); free(newpath); free(path); } static void addid_changed_cb(AW_root *, AW_CL cl_gb_main) { GBDATA *gb_main = (GBDATA*)cl_gb_main; GB_ERROR error = AW_test_nameserver(gb_main); if (error) aw_message(error); else AWT_advice("Calling 'Species/Generate New Names' is highly recommended", AWT_ADVICE_TOGGLE|AWT_ADVICE_HELP, 0, "namesadmin.hlp"); } void AW_create_namesadmin_awars(AW_root *awr, GBDATA *gb_main) { awr->awar_string(AWAR_NAMESERVER_ADDID, "", gb_main); } AW_window *AW_create_namesadmin_window(AW_root *root, AW_CL cl_gb_main) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "NAME_SERVER_ADMIN", "NAME_SERVER ADMIN"); aws->load_xfig("awtc/names_admin.fig"); aws->callback( AW_POPUP_HELP,(AW_CL)"namesadmin.hlp"); aws->at("help"); aws->create_button("HELP", "HELP","H"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE","C"); aws->button_length(30); aws->at("delete"); aws->callback(awtc_delete_names_file, cl_gb_main); aws->create_button("DELETE_OLD_NAMES_FILE", "Delete old names file"); aws->at("edit"); aws->callback(awtc_edit_names_file, cl_gb_main); aws->create_button("EDIT_NAMES_FILE", "Edit names file"); aws->at("remove_arb"); aws->callback(awtc_remove_arb_acc, cl_gb_main); aws->create_button("REMOVE_SUPERFLUOUS_ENTRIES_IN_NAMES_FILE", "Remove all entries with an\n'ARB*' accession number\nfrom names file"); AW_awar *awar_addid = root->awar(AWAR_NAMESERVER_ADDID); awar_addid->add_callback(addid_changed_cb, cl_gb_main); aws->at("add_field"); aws->create_input_field(AWAR_NAMESERVER_ADDID, 20); return aws; } ./arbsrc_9167/SL/AW_NAME/AW_rename.cxx0000644012664100000130000006006611440743001017150 0ustar arb_buildcoders#include #include #include #include #include // #include #include #include #include #include #include #include #include "AW_rename.hxx" #include "inline.h" #include #include #include static const char *get_addid(GBDATA *gb_main) { GB_transaction ta(gb_main); GBDATA *gb_addid = GB_search(gb_main, AWAR_NAMESERVER_ADDID, GB_FIND); return gb_addid ? GB_read_char_pntr(gb_addid) : 0; } static GB_ERROR set_addid(GBDATA *gb_main, const char *addid) { GB_ERROR error = GB_push_transaction(gb_main); if (!error) error = GBT_write_string(gb_main, AWAR_NAMESERVER_ADDID, addid ? addid : ""); return GB_end_transaction(gb_main, error); } const char *AW_get_nameserver_addid(GBDATA *gb_main) { // return the additional field used for nameserver connection const char *addid = get_addid(gb_main); aw_assert(addid); // the current DB has no entry AWAR_NAMESERVER_ADDID! (programmers error) if (!addid) addid = ""; // NDEBUG fallback return addid; } GB_ERROR AW_select_nameserver(GBDATA *gb_main, GBDATA *gb_other_main) { // if entry AWAR_NAMESERVER_ADDID isnt defined yet, try to detect a reasonable value // from arb_tcp.dat. Ask user if multiple servers are defined. // // if gb_other_main is defined try to use value from there. const char *addid = get_addid(gb_main); GB_ERROR error = 0; if (!addid && gb_other_main && gb_other_main != gb_main) { // look whether main DB has a defined addid addid = get_addid(gb_other_main); set_addid(gb_main, addid); } if (!addid) { const char * const *nameservers = GBS_get_arb_tcp_entries("ARB_NAME_SERVER*"); if (!nameservers) error = GB_await_error(); else { int serverCount = 0; for (int c = 0; nameservers[c]; c++) serverCount++; if (serverCount == 0) { error = GBS_global_string("No nameserver defined."); } else { char **fieldNames = (char **)malloc(serverCount*sizeof(*fieldNames)); for (int c = 0; c connection will not be closed time_t linktime; // time, when link has been established // ---------------------------------- // int init_local_com_names() // ---------------------------------- int init_local_com_names() { if (!link) return 1; /*** create and init local com structure ***/ if (aisc_create(link, AN_MAIN, com, MAIN_LOCAL, AN_LOCAL, &locs, LOCAL_WHOAMI, "i bin der arb_tree", NULL)){ return 1; } return 0; } NameServerConnection(const NameServerConnection& other); NameServerConnection& operator=(const NameServerConnection& /*other*/); GB_ERROR reconnect(GBDATA *gb_main) { // reconnect ignoring consistency int old_persistant = persistant; printf("Reconnecting name server\n"); persistant = 0; // otherwise disconnect() won't disconnect disconnect(); persistant = old_persistant; // restore previous persistancy return connect(gb_main); } char *fieldUsedByServer(GB_ERROR& err) { char *field = 0; if (aisc_get(link, AN_MAIN, com, MAIN_ADD_FIELD, &field, NULL)) { err = "Connection Problems with the NAME_SERVER"; aw_assert(field == 0); } return field; } GB_ERROR expectServerUsesField(const char *expected_field) { GB_ERROR err = 0; char *server_field = fieldUsedByServer(err); if (!err && strcmp(expected_field, server_field) != 0) { err = GBS_global_string("Additional field doesn't match (expected='%s', server uses='%s')", expected_field, server_field); } free(server_field); return err; } public: NameServerConnection() { link = 0; locs = 0; com = 0; persistant = 0; } virtual ~NameServerConnection() { gb_assert(persistant == 0); // forgot to remove persistancy ? disconnect(); } GB_ERROR connect(GBDATA *gb_main) { GB_ERROR err = 0; if (!link) { char *server_id; const char *add_field = AW_get_nameserver_addid(gb_main); if (add_field[0] == 0) { // no additional field -> traditional name server server_id = strdup("ARB_NAME_SERVER"); } else { server_id = GBS_global_string_copy("ARB_NAME_SERVER_%s", add_field); ARB_strupper(server_id); } err = arb_look_and_start_server(AISC_MAGIC_NUMBER, server_id, gb_main); if (!err) { const char *ipport = GBS_read_arb_tcp(server_id); if (!ipport) err = GB_await_error(); else { link = (aisc_com *)aisc_open(ipport, &com,AISC_MAGIC_NUMBER); linktime = time(0); if (init_local_com_names()) { err = GBS_global_string("Can't connect %s %s", server_id, ipport); } else { err = expectServerUsesField(add_field); } } } free(server_id); } else { long linkAge = int(time(0)-linktime); bool doReconnect = false; #if defined(DEBUG) && 0 // print information about name-server link age static long lastage = -1; if (linkAge != lastage) { printf("Age of NameServerConnection: %li\n", linkAge); lastage = linkAge; } #endif // DEBUG if (linkAge > (5*60)) { // perform a reconnect after 5 minutes // Reason : The pipe to the name server breaks after some time doReconnect = true; } else { const char *add_field = AW_get_nameserver_addid(gb_main); GB_ERROR error = expectServerUsesField(add_field); if (error) { printf("Error: %s\n", error); doReconnect = true; } } if (doReconnect) { err = reconnect(gb_main); } } return err; } void disconnect() { if (persistant == 0) { if (link) { aisc_close(link); } link = 0; } } void persistancy(bool persist) { if (persist) { ++persistant; } else { --persistant; if (persistant <= 0) { persistant = 0; disconnect(); } } } aisc_com *getLink() { return link; } T_AN_LOCAL getLocs() { return locs; } }; static NameServerConnection name_server; PersistantNameServerConnection::PersistantNameServerConnection() { name_server.persistancy(true); } PersistantNameServerConnection::~PersistantNameServerConnection() { name_server.persistancy(false); } // -------------------------------------------------------------------------------- GB_ERROR AW_test_nameserver(GBDATA *gb_main) { GB_ERROR err = name_server.connect(gb_main); return err; } // -------------------------------------------------------------------------------- GB_ERROR AWTC_generate_one_name(GBDATA *gb_main, const char *full_name, const char *acc, const char *addid, char*& new_name, bool openstatus, bool showstatus) { // create a unique short name for 'full_name' // the result is written into 'new_name' (as malloc-copy) // if fails: GB_ERROR!=0 && new_name==0 // acc and addid may be 0 new_name = 0; if (!acc) acc = ""; if (openstatus) { aw_openstatus(GBS_global_string("Short name for '%s'", full_name)); showstatus = true; } if (showstatus) { aw_status("Connecting to name server"); aw_status((double)0); } GB_ERROR err = name_server.connect(gb_main); if (err) return err; if (showstatus) aw_status("Generating name"); static char *shrt = 0; if (strlen(full_name)) { if (aisc_nput(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_FULL_NAME, full_name, LOCAL_ACCESSION, acc, LOCAL_ADDID, addid ? addid : "", LOCAL_ADVICE, "", NULL)){ err = "Connection Problems with the NAME_SERVER"; } if (aisc_get(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_GET_SHORT, &shrt, NULL)){ err = "Connection Problems with the NAME_SERVER"; } } if (err) { free(shrt); } else { if (shrt) { new_name = shrt; shrt = 0; } else { err = GB_export_errorf("Generation of short name for '%s' failed", full_name); } } if (openstatus) aw_closestatus(); name_server.disconnect(); return err; } GB_ERROR AWTC_recreate_name(GBDATA *gb_species, bool update_status) { GBDATA *gb_main = GB_get_root(gb_species); if (update_status) { aw_status("Connecting to name server"); aw_status((double)0); } GB_ERROR error = name_server.connect(gb_main); if (!error) { if (update_status) aw_status("Generating name"); const char *add_field = AW_get_nameserver_addid(gb_main); char *ali_name = GBT_get_default_alignment(gb_main); GBDATA *gb_name = GB_entry(gb_species, "name"); GBDATA *gb_full_name = GB_entry(gb_species, "full_name"); GBDATA *gb_acc = GBT_gen_accession_number(gb_species, ali_name); GBDATA *gb_addfield = add_field[0] ? GB_entry(gb_species, add_field) : 0; char *name = gb_name? GB_read_string (gb_name) : strdup(""); char *full_name = gb_full_name? GB_read_string (gb_full_name): strdup(""); char *acc = gb_acc? GB_read_string (gb_acc) : strdup(""); char *addid = gb_addfield? GB_read_as_string(gb_addfield) : strdup(""); int deleted = 0; char *shrt = 0; if (aisc_nput(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_FULL_NAME, full_name, LOCAL_ACCESSION, acc, LOCAL_ADDID, addid, LOCAL_ADVICE, "", NULL) != 0 || aisc_get(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_DEL_SHORT, &deleted, NULL) != 0 || aisc_get(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_GET_SHORT, &shrt, NULL) !=0) { error = "Connection Problems with the NAME_SERVER"; } name_server.disconnect(); if (!error) { GBT_begin_rename_session(gb_main, 0); error = GBT_rename_species(name, shrt, GB_TRUE); if (error) { if (GBT_find_species(gb_main, shrt)) { // it was a rename error int done = 0; error = 0; for (int count = 2; !done && !error && count<10; count++) { const char *other_short = GBS_global_string("%s.%i", shrt, count); if (!GBT_find_species(gb_main, other_short)) { error = GBT_rename_species(name, other_short, GB_TRUE); if (!error) done = 1; } } if (!done && !error) { error = "Failed to regenerate name. Please use 'Generate new names'"; } } } if (error) GBT_abort_rename_session(); else { if (update_status) GBT_commit_rename_session(aw_status, aw_status); else GBT_commit_rename_session(0, 0); } } free(shrt); free(addid); free(acc); free(full_name); free(name); } return error; } char *AWTC_create_numbered_suffix(GB_HASH *species_name_hash, const char *shortname, GB_ERROR& warning) { char *newshort = 0; if (GBS_read_hash(species_name_hash, shortname)) { int i; newshort = (char *)GB_calloc(sizeof(char),strlen(shortname)+20); for (i= 1 ; ; i++) { sprintf(newshort, "%s.%i", shortname, i); if (!GBS_read_hash(species_name_hash, newshort))break; } warning = "There are duplicated entries!!.\n" "The duplicated entries contain a '.' character in field 'name'!\n" "Please resolve this problem (see HELP in 'Generate new names' window)"; } return newshort; } GB_ERROR AWTC_pars_names(GBDATA *gb_main, int update_status, bool *isWarningPtr) // rename species according to name_server // 'isWarning' is set to true, in case of duplicates-warning { GB_ERROR err = name_server.connect(gb_main); bool isWarning = false; if (!err) { err = GBT_begin_rename_session(gb_main,1); if (!err) { char *ali_name = GBT_get_default_alignment(gb_main); GB_HASH *hash = GBS_create_hash(GBT_get_species_hash_size(gb_main), GB_IGNORE_CASE); GB_ERROR warning = 0; long spcount = 0; long count = 0; if (update_status) { aw_status("Renaming"); spcount = GBT_get_species_count(gb_main); } const char *add_field = AW_get_nameserver_addid(gb_main); for (GBDATA *gb_species = GBT_first_species(gb_main); gb_species && !err; gb_species = GBT_next_species(gb_species)) { if (update_status) aw_status(count++/(double)spcount); GBDATA *gb_name = GB_entry(gb_species,"name"); GBDATA *gb_full_name = GB_entry(gb_species,"full_name"); GBDATA *gb_acc = GBT_gen_accession_number(gb_species, ali_name); GBDATA *gb_addfield = add_field[0] ? GB_entry(gb_species, add_field) : 0; char *name = gb_name ? GB_read_string (gb_name) : strdup(""); char *full_name = gb_full_name ? GB_read_string (gb_full_name): strdup(""); char *acc = gb_acc ? GB_read_string (gb_acc) : strdup(""); char *addid = gb_addfield ? GB_read_as_string(gb_addfield) : strdup(""); // empty value will be set to default by nameserver char *shrt = 0; if (full_name[0] || acc[0] || addid[0]) { if (aisc_nput(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_FULL_NAME, full_name, LOCAL_ACCESSION, acc, LOCAL_ADDID, addid, LOCAL_ADVICE, name, NULL)){ err = "Connection Problems with the NAME_SERVER"; } if (aisc_get(name_server.getLink(), AN_LOCAL, name_server.getLocs(), LOCAL_GET_SHORT, &shrt, NULL)){ err = "Connection Problems with the NAME_SERVER"; } } else { shrt = strdup(name); } if (!err) { char *newshrt = AWTC_create_numbered_suffix(hash, shrt, warning); if (newshrt) freeset(shrt, newshrt); GBS_incr_hash(hash,shrt); err = GBT_rename_species(name, shrt, GB_TRUE); } free(shrt); free(addid); free(acc); free(full_name); free(name); } if (err) { GBT_abort_rename_session(); } else { // aw_status("Renaming species in trees"); // aw_status((double)0); GBT_commit_rename_session(aw_status, aw_status); } GBS_free_hash(hash); free(ali_name); if (!err) { err = warning; if (warning) isWarning = true; } } name_server.disconnect(); } if (isWarningPtr) *isWarningPtr = isWarning; return err; } void awt_rename_cb(AW_window *aww,GBDATA *gb_main) { AWUSE(aww); // int use_advice = (int)aww->get_root()->awar(AWT_RENAME_USE_ADVICE)->read_int(); // int save_data = (int)aww->get_root()->awar(AWT_RENAME_SAVE_DATA)->read_int(); aw_openstatus("Generating new names"); aw_status("Contacting name server"); GB_ERROR error = AWTC_pars_names(gb_main,1); aw_closestatus(); if (error) aw_message(error); aww->get_root()->awar(AWAR_TREE_REFRESH)->touch(); } AW_window *AWTC_create_rename_window(AW_root *root, AW_CL gb_main) { AWUSE(root); AW_window_simple *aws = new AW_window_simple; aws->init( root, "AUTORENAME_SPECIES", "AUTORENAME SPECIES"); aws->load_xfig("awtc/autoren.fig"); aws->callback( (AW_CB0)AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE","C"); aws->callback( AW_POPUP_HELP,(AW_CL)"rename.hlp"); aws->at("help"); aws->create_button("HELP", "HELP","H"); aws->at("go"); aws->highlight(); aws->callback((AW_CB1)awt_rename_cb,gb_main); aws->create_button("GO", "GO","G"); return (AW_window *)aws; } void AWTC_create_rename_awars(AW_root *root,AW_default db1){ root->awar_int( AWT_RENAME_USE_ADVICE, 0 , db1); root->awar_int( AWT_RENAME_SAVE_DATA, 1 , db1); } UniqueNameDetector::UniqueNameDetector(GBDATA *gb_item_data, int additionalEntries) { hash = GBS_create_hash(2*(GB_number_of_subentries(gb_item_data)+additionalEntries), GB_IGNORE_CASE); for (GBDATA *gb_item = GB_child(gb_item_data); gb_item; gb_item = GB_nextChild(gb_item)) { GBDATA *gb_name = GB_entry(gb_item, "name"); if (gb_name) { // item has name -> insert to hash GBS_write_hash(hash, GB_read_char_pntr(gb_name), 1); } } } UniqueNameDetector::~UniqueNameDetector() { GBS_free_hash(hash); } static char *makeUniqueShortName(const char *prefix, UniqueNameDetector& existing) { // generates a non-existing short-name (name starts with prefix) // // returns NULL if it fails char *result = 0; int prefix_len = strlen(prefix); gb_assert(prefix_len<8); // prefix has to be shorter than 8 chars! if (prefix_len<8) { const int max_nums[8] = { 100000000, 10000000, 1000000, 100000, 10000, 1000, 100, 10 }; static int next_try[8] = { 0, 0, 0, 0, 0, 0, 0, 0 }; int max_num = max_nums[prefix_len]; char short_name[9]; strcpy(short_name, prefix); char *dig_pos = short_name+prefix_len; int num = next_try[prefix_len]; int stop = num ? num-1 : max_num; while (num != stop) { sprintf(dig_pos, "%i", num); ++num; if (!existing.name_known(short_name)) { result = strdup(short_name); break; } if (num == max_num && stop != max_num) num = 0; } if (num == max_num) num = 0; next_try[prefix_len] = num; } return result; } char *AWTC_makeUniqueShortName(const char *prefix, UniqueNameDetector& existingNames) { // generates a unique species name from prefix // (prefix will be fillup with zero digits and then shortened down to first char) // // returns NULL if failed (and exports error) int len = strlen(prefix); char p[9]; strncpy(p, prefix, 8); if (len>8) len = 8; else { if (len == 0) p[len++] = 'x'; // don't use digit as first character while (len<8) p[len++] = '0'; } p[len] = 0; char *result = 0; for (int l = len-1; l>0 && !result; --l) { p[l] = 0; result = makeUniqueShortName(p, existingNames); } gb_assert(!result || strlen(result) <= 8); if (!result) GB_export_errorf("Failed to create unique shortname (prefix='%s')", prefix); return result; } char *AWTC_generate_random_name(UniqueNameDetector& existingNames) { char *new_species_name = 0; char short_name[9]; int count = 10000; short_name[8] = 0; while (count--) { short_name[0] = 'a'+GB_random(26); // first character has to be alpha for (int x=1; x<8; ++x) { int r = GB_random(36); // rest may be alphanumeric short_name[x] = r<10 ? ('0'+r) : ('a'+r-10); } if (!existingNames.name_known(short_name)) { new_species_name = strdup(short_name); break; } } if (!new_species_name) { aw_message("Failed to generate a random name - retrying (this might hang forever)"); return AWTC_generate_random_name(existingNames); } return new_species_name; } int AWTC_name_quality(const char *short_name) { // result 0 = ok for external tools // 1 = ok for ARB // 2 = not ok int len = -1; int alnum_count = 0; int ascii_count = 0; while (char c = short_name[++len]) { alnum_count += (isalnum(c) != 0); ascii_count += (c > 32 && c < 127); } if (len>0) { if (len <= 8) { if (len == alnum_count) return 0; // ok for external programs } if (len == ascii_count) return 1; // ok for ARB } return 2; // not ok } ./arbsrc_9167/SL/AW_NAME/AW_rename.hxx0000644012664100000130000000447311440743001017155 0ustar arb_buildcoders#ifndef AW_RENAME_HXX #define AW_RENAME_HXX #define AWT_RENAME_USE_ADVICE "awt_rename/use_advice" #define AWT_RENAME_SAVE_DATA "awt_rename/save_data" #define AWAR_NAMESERVER_ADDID "nt/nameserver_addid" #ifndef AW_RENAME_SKIP_GUI void AWTC_create_rename_awars(AW_root *root,AW_default db1); AW_window *AWTC_create_rename_window(AW_root *root, AW_CL gb_main); void awt_rename_cb(AW_window *aww,GBDATA *gb_main); void AW_create_namesadmin_awars(AW_root *aw_root, GBDATA *gb_main); AW_window *AW_create_namesadmin_window(AW_root *aw_root, AW_CL cl_gb_main); GB_ERROR AW_select_nameserver(GBDATA *gb_main, GBDATA *gb_other_main); #endif // AW_RENAME_SKIP_GUI char *AWTC_create_numbered_suffix(GB_HASH *species_name_hash, const char *shortname, GB_ERROR& warning); GB_ERROR AWTC_pars_names(GBDATA *gb_main, int update_status = 0, bool *isWarning = 0); GB_ERROR AWTC_generate_one_name(GBDATA *gb_main, const char *full_name, const char *acc, const char *addid, char*& new_name, bool openstatus, bool showstatus); GB_ERROR AWTC_recreate_name(GBDATA *gb_main, bool update_status); // return name of additional field used for species identification // (-> para 'addid' in AWTC_generate_one_name) const char *AW_get_nameserver_addid(GBDATA *gb_main); GB_ERROR AW_test_nameserver(GBDATA *gb_main); // create a test link to the nameserver class UniqueNameDetector { // Note: If you add new items to the DB while one instance of this class exists, // you have to call add_name() for these new species! GB_HASH *hash; public: UniqueNameDetector(GBDATA *gb_item_data, int additionalEntries = 0); ~UniqueNameDetector(); bool name_known(const char *name) { return GBS_read_hash(hash, name) == 1; } void add_name(const char *name) { GBS_write_hash(hash, name, 1); } }; char *AWTC_makeUniqueShortName(const char *prefix, UniqueNameDetector& existingNames); char *AWTC_generate_random_name(UniqueNameDetector& existingNames); struct PersistantNameServerConnection { // create a PersistantNameServerConnection instance while calling AWTC_generate_one_name // to avoid repeated re-connections to name server bool dummy; PersistantNameServerConnection(); ~PersistantNameServerConnection(); }; int AWTC_name_quality(const char *short_name); #else #error AW_rename.hxx included twice #endif ./arbsrc_9167/SL/AW_NAME/Makefile0000644012664100000130000000451011440743001016216 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = \ AW_rename.o \ AW_names_admin.o \ OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl AW_names_admin.o: AW_rename.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_names_admin.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_names_admin.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_names_admin.o: $(ARBHOME)/INCLUDE/arbdb.h AW_names_admin.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_names_admin.o: $(ARBHOME)/INCLUDE/attributes.h AW_names_admin.o: $(ARBHOME)/INCLUDE/aw_device.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/aw_position.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/aw_root.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/aw_window.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/awt.hxx AW_names_admin.o: $(ARBHOME)/INCLUDE/awt_advice.hxx AW_rename.o: AW_rename.hxx AW_rename.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_rename.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_rename.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_rename.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_rename.o: $(ARBHOME)/INCLUDE/arbdb.h AW_rename.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_rename.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_rename.o: $(ARBHOME)/INCLUDE/attributes.h AW_rename.o: $(ARBHOME)/INCLUDE/aw_awars.hxx AW_rename.o: $(ARBHOME)/INCLUDE/aw_device.hxx AW_rename.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx AW_rename.o: $(ARBHOME)/INCLUDE/aw_position.hxx AW_rename.o: $(ARBHOME)/INCLUDE/aw_root.hxx AW_rename.o: $(ARBHOME)/INCLUDE/aw_window.hxx AW_rename.o: $(ARBHOME)/INCLUDE/client.h AW_rename.o: $(ARBHOME)/INCLUDE/inline.h AW_rename.o: $(ARBHOME)/INCLUDE/names_client.h AW_rename.o: $(ARBHOME)/INCLUDE/servercntrl.h ./arbsrc_9167/SL/DB_SCANNER/db_scanner.cxx0000644012664100000130000005115711440743001017740 0ustar arb_buildcoders#include #include #include #include #include // #include #include #include #include #include #include #include #include #include #include #include #include #include /************************************************************************** create a database scanner the scanned database is displayed in a selection list the gbdata pointer can be read ***************************************************************************/ /* return the selected GBDATA pntr the should be no !!! running transaction and this function will begin a transaction */ static GBDATA *awt_get_arbdb_scanner_gbd_and_begin_trans(AW_CL arbdb_scanid) { struct adawcbstruct *cbs = (struct adawcbstruct *)arbdb_scanid; AW_root *aw_root = cbs->aws->get_root(); cbs->may_be_an_error = 0; GB_push_transaction(cbs->gb_main); GBDATA *gbd = (GBDATA *)aw_root->awar(cbs->def_gbd)->read_pointer(); if ( !cbs->gb_user || !gbd || cbs->may_be_an_error) { // something changed in the database return 0; } return gbd; } static GB_BOOL awt_check_scanner_key_data(struct adawcbstruct *cbs,GBDATA *gbd) { GBDATA *gb_key_data; gb_key_data = GB_search(cbs->gb_main,cbs->selector->change_key_path,GB_CREATE_CONTAINER); return GB_check_father(gbd,gb_key_data); } static void awt_arbdb_scanner_delete(void *dummy, struct adawcbstruct *cbs) { AWUSE(dummy); GBDATA *gbd = awt_get_arbdb_scanner_gbd_and_begin_trans((AW_CL)cbs); if (!gbd) { aw_message("Sorry, cannot perform your operation, please redo it"); }else if (awt_check_scanner_key_data(cbs,gbd)) { // already deleted ; }else{ GB_ERROR error = GB_delete(gbd); if (error) aw_message((char *)error); } GB_commit_transaction(cbs->gb_main); } static void awt_edit_changed_cb(GBDATA *dummy, struct adawcbstruct *cbs, GB_CB_TYPE gbtype) { AWUSE(dummy); AW_window *aws = cbs->aws; cbs->may_be_an_error = 1; if (gbtype == GB_CB_DELETE) { cbs->gb_edit = 0; } if (cbs->gb_edit) { if (awt_check_scanner_key_data(cbs,cbs->gb_edit)) { // doesnt exist aws->get_root()->awar(cbs->def_dest)->write_string(""); }else{ char *data; data = GB_read_as_string(cbs->gb_edit); if (!data) { data = strdup(""); } cbs->aws->get_root()->awar(cbs->def_dest)->write_string(data); free(data); } }else{ aws->get_root()->awar(cbs->def_dest)->write_string(""); } } static void awt_arbdb_scanner_value_change(void *, struct adawcbstruct *cbs) { char *value = cbs->aws->get_root()->awar(cbs->def_dest)->read_string(); int vlen = strlen(value); while (vlen>0 && value[vlen-1] == '\n') vlen--; // remove trailing newlines value[vlen] = 0; // read the value from the window GBDATA *gbd = awt_get_arbdb_scanner_gbd_and_begin_trans((AW_CL)cbs); GB_ERROR error = 0; bool update_self = false; if (!gbd) { error = "Sorry, cannot perform your operation, please redo it\n(Hint: No item or fields selected or 'enable edit' is unchecked)"; if (!cbs->aws->get_root()->awar(cbs->def_filter)->read_int()) { // edit disabled cbs->aws->get_root()->awar(cbs->def_dest)->write_string(""); } } else { awt_assert(cbs->aws->get_root()->awar(cbs->def_filter)->read_int() != 0); // edit is enabled (disabled causes gdb to be 0) GBDATA *gb_key_name; char *key_name = 0; if (awt_check_scanner_key_data(cbs,gbd)) { // not exist, create new element gb_key_name = GB_entry(gbd,CHANGEKEY_NAME); key_name = GB_read_string(gb_key_name); GBDATA *gb_key_type = GB_entry(gbd,CHANGEKEY_TYPE); if (strlen(value)) { GBDATA *gb_new = GB_search(cbs->gb_user, key_name,GB_read_int(gb_key_type)); if (!gb_new) error = GB_await_error(); else error = GB_write_as_string(gb_new,value); cbs->aws->get_root()->awar(cbs->def_gbd)->write_pointer(gb_new); // remap arbdb } } else { // change old element key_name = GB_read_key(gbd); if (GB_get_father(gbd) == cbs->gb_user && strcmp(key_name, "name") == 0) { // This is a real rename !!! const struct ad_item_selector *selector = cbs->selector; if (selector->type == AWT_QUERY_ITEM_SPECIES) { // species char *name = nulldup(GBT_read_name(cbs->gb_user)); aw_openstatus("Renaming species"); if (strlen(value)) { GBT_begin_rename_session(cbs->gb_main,0); error = GBT_rename_species(name, value, GB_FALSE); if (error) GBT_abort_rename_session(); else GBT_commit_rename_session(aw_status, aw_status); } else { error = AWTC_recreate_name(cbs->gb_user, true); } aw_closestatus(); free(name); } else { // non-species (gene, experiment, etc.) if (strlen(value)) { GBDATA *gb_exists = 0; GBDATA *gb_item_data = GB_get_father(cbs->gb_user); for (gb_exists = selector->get_first_item(gb_item_data); gb_exists; gb_exists = selector->get_next_item(gb_exists)) { if (ARB_stricmp(GBT_read_name(gb_exists), value) == 0) break; } if (gb_exists) error = GBS_global_string("There is already a %s named '%s'", selector->item_name, value); else error = GB_write_as_string(gbd, value); } else { error = "The 'name' field can't be empty."; } } if (!error) update_self = true; } else { if (strlen(value)) { error = GB_write_as_string(gbd, value); } else { GBDATA *gb_key = GBT_get_changekey(cbs->gb_main, key_name, cbs->selector->change_key_path); if (GB_child(gbd)) { error = "Sorry, cannot perform a deletion.\n(The selected entry has child entries. Delete them first.)"; } else { error = GB_delete(gbd); if (!error) { cbs->aws->get_root()->awar(cbs->def_gbd)->write_pointer(gb_key); } } } } // if (error) awt_edit_changed_cb(0, cbs, GB_CB_CHANGED); // refresh old value } free(key_name); } awt_edit_changed_cb(0, cbs, GB_CB_CHANGED); // refresh edit field if (error){ aw_message(error); GB_abort_transaction(cbs->gb_main); } else { GB_touch(cbs->gb_user); // change of linked object does not change source of link, so do it by hand GB_commit_transaction(cbs->gb_main); } if (update_self) { // if the name changed -> rewrite awars AFTER transaction was closed GB_transaction ta(cbs->gb_main); char *my_id = cbs->selector->generate_item_id(cbs->gb_main, cbs->gb_user); cbs->selector->update_item_awars(cbs->gb_main, cbs->awr, my_id); // update awars (e.g. AWAR_SPECIES_NAME) free(my_id); } free(value); } /***************** change the flag in cbs->gb_user *****************************/ static void awt_mark_changed_cb(AW_window *aws, struct adawcbstruct *cbs, char *awar_name) { cbs->may_be_an_error = 0; long flag = aws->get_root()->awar(awar_name)->read_int(); GB_push_transaction(cbs->gb_main); if ( (!cbs->gb_user) || cbs->may_be_an_error) { // something changed in the database } else{ GB_write_flag(cbs->gb_user,flag); } GB_pop_transaction(cbs->gb_main); } static void awt_map_arbdb_edit_box(GBDATA *dummy, struct adawcbstruct *cbs) { AWUSE(dummy); GBDATA *gbd; cbs->may_be_an_error = 0; GB_push_transaction(cbs->gb_main); if (cbs->may_be_an_error) { // sorry cbs->aws->get_root()->awar(cbs->def_gbd)->write_pointer(NULL); } gbd = (GBDATA *)cbs->aws->get_root()->awar(cbs->def_gbd)->read_pointer(); if (cbs->gb_edit) { GB_remove_callback(cbs->gb_edit,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), (GB_CB)awt_edit_changed_cb, (int *)cbs); } if (cbs->aws->get_root()->awar(cbs->def_filter)->read_int()) { // edit enabled cbs->gb_edit = gbd; }else{ cbs->gb_edit = 0; // disable map } if (cbs->gb_edit) { GB_add_callback(cbs->gb_edit,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), (GB_CB)awt_edit_changed_cb, (int *)cbs); } awt_edit_changed_cb(gbd,cbs,GB_CB_CHANGED); GB_pop_transaction(cbs->gb_main); } static void awt_scanner_changed_cb(GBDATA *dummy, struct adawcbstruct *cbs, GB_CB_TYPE gbtype); /* create an unmapped scanner box and optional some buttons, the return value is the id to further scanner functions */ AW_CL awt_create_arbdb_scanner(GBDATA *gb_main, AW_window *aws, const char *box_pos_fig, /* the position for the box in the xfig file */ const char *delete_pos_fig, const char *edit_pos_fig, const char *edit_enable_pos_fig, AWT_SCANNERMODE scannermode, const char *rescan_pos_fig, // AWT_VIEWER const char *mark_pos_fig, long type_filter, const ad_item_selector *selector) { static int scanner_id = 0; struct adawcbstruct *cbs = new adawcbstruct; memset(cbs, 0, sizeof(*cbs)); char buffer[256]; AW_root *aw_root = aws->get_root(); GB_push_transaction(gb_main); /*************** Create local AWARS *******************/ sprintf(buffer,"tmp/arbdb_scanner_%i/list",scanner_id); cbs->def_gbd = strdup(buffer); aw_root->awar_pointer(cbs->def_gbd, 0, AW_ROOT_DEFAULT); sprintf(buffer,"tmp/arbdb_scanner_%i/find",scanner_id); cbs->def_source = strdup(buffer); aw_root->awar_string( cbs->def_source,"", AW_ROOT_DEFAULT); sprintf(buffer,"tmp/arbdb_scanner_%i/edit_enable",scanner_id); cbs->def_filter = strdup(buffer); aw_root->awar_int( cbs->def_filter,GB_TRUE, AW_ROOT_DEFAULT); sprintf(buffer,"tmp/arbdb_scanner_%i/mark",scanner_id); cbs->def_dir = strdup(buffer); aw_root->awar_int( cbs->def_dir,GB_TRUE, AW_ROOT_DEFAULT); aws->at(box_pos_fig); cbs->id = aws->create_selection_list(cbs->def_gbd, 0, "", 20, 10); cbs->aws = aws; cbs->awr = aw_root; cbs->gb_main = gb_main; cbs->gb_user = 0; cbs->gb_edit = 0; cbs->scannermode = (char) scannermode; cbs->selector = selector; /*************** Create the delete button ****************/ if (delete_pos_fig) { aws->at(delete_pos_fig); aws->callback((AW_CB)awt_arbdb_scanner_delete,(AW_CL)cbs,0); aws->create_button("DELETE_DB_FIELD", "DELETE","D"); } /*************** Create the enable edit selector ****************/ if (edit_enable_pos_fig) { aws->at(edit_enable_pos_fig); aws->callback((AW_CB1)awt_map_arbdb_edit_box,(AW_CL)cbs); aws->create_toggle(cbs->def_filter); } if (mark_pos_fig) { aws->at(mark_pos_fig); aws->callback((AW_CB)awt_mark_changed_cb,(AW_CL)cbs,(AW_CL)cbs->def_dir); aws->create_toggle(cbs->def_dir); } cbs->def_dest = 0; if (edit_pos_fig) { aw_root->awar(cbs->def_gbd)->add_callback((AW_RCB1)awt_map_arbdb_edit_box,(AW_CL)cbs); if (edit_enable_pos_fig) { aw_root->awar(cbs->def_filter)->add_callback((AW_RCB1)awt_map_arbdb_edit_box,(AW_CL)cbs); } sprintf(buffer,"tmp/arbdb_scanner_%i/edit",scanner_id); cbs->def_dest = strdup(buffer); aw_root->awar_string( cbs->def_dest,"", AW_ROOT_DEFAULT); aws->at(edit_pos_fig); aws->callback((AW_CB1)awt_arbdb_scanner_value_change,(AW_CL)cbs); aws->create_text_field(cbs->def_dest,20,10); } /*************** Create the rescan button ****************/ if (rescan_pos_fig) { aws->at(rescan_pos_fig); aws->callback(cbs->selector->selection_list_rescan_cb, (AW_CL)cbs->gb_main,(AW_CL)type_filter); aws->create_button("RESCAN_DB", "RESCAN","R"); } scanner_id++; GB_pop_transaction(gb_main); aws->set_popup_callback((AW_CB)awt_scanner_changed_cb,(AW_CL)cbs, GB_CB_CHANGED); return (AW_CL)cbs; } static void awt_scanner_scan_rek(GBDATA *gbd,struct adawcbstruct *cbs,int deep, AW_selection_list *id) { GB_TYPES type = GB_read_type(gbd); char *key = GB_read_key(gbd); GBS_strstruct *out = GBS_stropen(1000); for (int i = 0; i < deep; i++) GBS_strcat(out, ": "); GBS_strnprintf(out, 30, "%-12s", key); switch (type) { case GB_DB: { GBS_strcat(out, ":"); cbs->aws->insert_selection(cbs->id, GBS_mempntr(out), gbd); GBS_strforget(out); for (GBDATA *gb2 = GB_child(gbd); gb2; gb2 = GB_nextChild(gb2)) { awt_scanner_scan_rek(gb2, cbs, deep + 1, id); } break; } case GB_LINK: { GBS_strnprintf(out, 100, "LINK TO '%s'", GB_read_link_pntr(gbd)); cbs->aws->insert_selection(cbs->id, GBS_mempntr(out), gbd); GBS_strforget(out); GBDATA *gb_al = GB_follow_link(gbd); if (gb_al) { for (GBDATA *gb2 = GB_child(gb_al); gb2; gb2 = GB_nextChild(gb2)) { awt_scanner_scan_rek(gb2, cbs, deep + 1, id); } } break; } default: { char *data = GB_read_as_string(gbd); if (data) { GBS_strcat(out, data); free(data); } else { GBS_strcat(out, ""); } cbs->aws->insert_selection(cbs->id, GBS_mempntr(out), gbd); GBS_strforget(out); break; } } free(key); } static void awt_scanner_scan_list(GBDATA *dummy, struct adawcbstruct *cbs) { #define INFO_WIDTH 1000 refresh_again: char buffer[INFO_WIDTH+1]; memset(buffer,0,INFO_WIDTH+1); static int last_max_name_width; int max_name_width = 0; if (last_max_name_width == 0) last_max_name_width = 15; AWUSE(dummy); cbs->aws->clear_selection_list(cbs->id); GBDATA *gb_key_data = GB_search(cbs->gb_main, cbs->selector->change_key_path, GB_CREATE_CONTAINER); for (int existing = 1; existing >= 0; --existing) { for (GBDATA *gb_key = GB_entry(gb_key_data,CHANGEKEY); gb_key; gb_key = GB_nextEntry(gb_key)) { GBDATA *gb_key_hidden = GB_entry(gb_key,CHANGEKEY_HIDDEN); if (gb_key_hidden && GB_read_int(gb_key_hidden)) continue; // dont show hidden fields in 'species information' window GBDATA *gb_key_name = GB_entry(gb_key,CHANGEKEY_NAME); if (!gb_key_name) continue; GBDATA *gb_key_type = GB_entry(gb_key,CHANGEKEY_TYPE); const char *name = GB_read_char_pntr(gb_key_name); GBDATA *gbd = GB_search(cbs->gb_user,name,GB_FIND); if ((!existing) == (!gbd)) { // first print only existing; then non-existing entries char *p = buffer; int len = sprintf(p,"%-*s %c", last_max_name_width, name, GB_TYPE_2_CHAR[GB_read_int(gb_key_type)]); p += len; int name_width = strlen(name); if (name_width>max_name_width) max_name_width = name_width; if (gbd) { // existing entry *(p++) = GB_read_security_write(gbd)+'0'; *(p++) = ':'; *(p++) = ' '; *p = 0; { char *data = GB_read_as_string(gbd); int ssize; if (data) { int rest = INFO_WIDTH-(p-buffer); ssize = strlen(data); if (ssize > rest) { ssize = GBS_shorten_repeated_data(data); if (ssize > rest) { if (ssize>5) strcpy(data+rest-5, "[...]"); ssize = rest; } } memcpy(p,data,ssize); p[ssize] = 0; free(data); } } cbs->aws->insert_selection(cbs->id, buffer, gbd); } else { // non-existing entry p[0] = ' '; p[1] = ':'; p[2] = 0; cbs->aws->insert_selection(cbs->id, buffer, gb_key); } } } } if (last_max_name_width < max_name_width) { last_max_name_width = max_name_width; goto refresh_again; } #undef INFO_WIDTH } static void awt_scanner_changed_cb(GBDATA *dummy, struct adawcbstruct *cbs, GB_CB_TYPE gbtype) { AWUSE(dummy); AW_window *aws = cbs->aws; cbs->may_be_an_error = 1; if (gbtype == GB_CB_DELETE) { cbs->gb_user = 0; } if (cbs->gb_user && !cbs->aws->is_shown()) { // unmap invisible window //awt_map_arbdb_scanner((AW_CL)cbs,0,cbs->show_only_marked); // recalls this function !!!! return; } aws->clear_selection_list(cbs->id); if (cbs->gb_user) { GB_transaction ta(cbs->gb_main); switch (cbs->scannermode) { case AWT_SCANNER: awt_scanner_scan_rek(cbs->gb_user,cbs,0,cbs->id); break; case AWT_VIEWER: awt_scanner_scan_list(cbs->gb_user,cbs); break; } } aws->insert_default_selection( cbs->id, "", (void*)NULL); aws->update_selection_list( cbs->id ); if (cbs->gb_user) { GB_transaction ta(cbs->gb_main); long flag = GB_read_flag(cbs->gb_user); aws->get_root()->awar(cbs->def_dir)->write_int(flag); } } /************ Unmap edit field if 'key_data' has been changed (maybe entries deleted) *********/ static void awt_scanner_changed_cb2(GBDATA *dummy, struct adawcbstruct *cbs, GB_CB_TYPE gbtype) { cbs->aws->get_root()->awar(cbs->def_gbd)->write_pointer(NULL); // unmap edit field awt_scanner_changed_cb(dummy,cbs,gbtype); } void awt_map_arbdb_scanner(AW_CL arbdb_scanid, GBDATA *gb_pntr, int show_only_marked_flag, const char *key_path) { struct adawcbstruct *cbs = (struct adawcbstruct *)arbdb_scanid; GB_push_transaction(cbs->gb_main); GBDATA *gb_key_data = GB_search(cbs->gb_main,key_path,GB_CREATE_CONTAINER); if (cbs->gb_user) { GB_remove_callback(cbs->gb_user,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), (GB_CB)awt_scanner_changed_cb, (int *)cbs); if (cbs->scannermode == AWT_VIEWER) { GB_remove_callback(gb_key_data,(GB_CB_TYPE)(GB_CB_CHANGED), (GB_CB)awt_scanner_changed_cb2, (int *)cbs); } } cbs->show_only_marked = show_only_marked_flag; cbs->gb_user = gb_pntr; if (gb_pntr) { GB_add_callback(gb_pntr,(GB_CB_TYPE)(GB_CB_CHANGED|GB_CB_DELETE), (GB_CB)awt_scanner_changed_cb, (int *)cbs); if (cbs->scannermode == AWT_VIEWER) { GB_add_callback(gb_key_data,(GB_CB_TYPE)(GB_CB_CHANGED), (GB_CB)awt_scanner_changed_cb2, (int *)cbs); } } cbs->aws->get_root()->awar(cbs->def_gbd)->write_pointer(NULL); awt_scanner_changed_cb(gb_pntr,cbs,GB_CB_CHANGED); GB_pop_transaction(cbs->gb_main); } ./arbsrc_9167/SL/DB_SCANNER/db_scanner.hxx0000644012664100000130000000526011440743001017737 0ustar arb_buildcoders// ==================================================================== // // // // File : db_scanner.hxx // // Purpose : ARB database scanner // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2005 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef DB_SCANNER_HXX #define DB_SCANNER_HXX /************************************************************************** ********************* Various Database SCANNER Boxes ******************* ***************************************************************************/ /* A scanner show all (rekursiv) information of a database entry: This information can be organized in two different ways: 1. AWT_SCANNER: Show exact all (filtered) information stored in the DB 2. AWT_VIEWER: Create a list of all database fields (see FIELD INFORMATIONS) and if any information is stored under a field append it. example: fields: name, full_name, acc, author DB entries: name:e.coli full_name:esc.coli flag:test -> name: e.coli full_name: esc.coli acc: author: */ typedef enum { AWT_SCANNER, AWT_VIEWER } AWT_SCANNERMODE; AW_CL awt_create_arbdb_scanner(GBDATA *gb_main, AW_window *aws, const char *box_pos_fig, /* the position for the box in the xfig file */ const char *delete_pos_fig, const char *edit_pos_fig, const char *edit_enable_pos_fig, AWT_SCANNERMODE scannermode, const char *rescan_pos_fig, // AWT_VIEWER const char *mark_pos_fig, long type_filter, const ad_item_selector *selector); void awt_map_arbdb_scanner(AW_CL arbdb_scanid, GBDATA *gb_pntr, int show_only_marked_flag, const char *key_path); #else #error db_scanner.hxx included twice #endif // DB_SCANNER_HXX ./arbsrc_9167/SL/DB_SCANNER/Makefile0000644012664100000130000000323611440743001016551 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = db_scanner.o OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl db_scanner.o: db_scanner.hxx db_scanner.o: $(ARBHOME)/INCLUDE/ad_k_prot.h db_scanner.o: $(ARBHOME)/INCLUDE/ad_prot.h db_scanner.o: $(ARBHOME)/INCLUDE/ad_t_prot.h db_scanner.o: $(ARBHOME)/INCLUDE/arb_assert.h db_scanner.o: $(ARBHOME)/INCLUDE/arbdb.h db_scanner.o: $(ARBHOME)/INCLUDE/arbdb_base.h db_scanner.o: $(ARBHOME)/INCLUDE/arbdbt.h db_scanner.o: $(ARBHOME)/INCLUDE/attributes.h db_scanner.o: $(ARBHOME)/INCLUDE/aw_awars.hxx db_scanner.o: $(ARBHOME)/INCLUDE/aw_device.hxx db_scanner.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx db_scanner.o: $(ARBHOME)/INCLUDE/aw_position.hxx db_scanner.o: $(ARBHOME)/INCLUDE/AW_rename.hxx db_scanner.o: $(ARBHOME)/INCLUDE/aw_root.hxx db_scanner.o: $(ARBHOME)/INCLUDE/aw_window.hxx db_scanner.o: $(ARBHOME)/INCLUDE/awt.hxx db_scanner.o: $(ARBHOME)/INCLUDE/awtlocal.hxx db_scanner.o: $(ARBHOME)/INCLUDE/inline.h ./arbsrc_9167/SL/FAST_ALIGNER/ClustalV.cxx0000644012664100000130000010741411440743001017635 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include #include "ClustalV.hxx" #include "awtc_seq_search.hxx" /* ---------------------------------------------------------------- */ #define MASTER_GAP_OPEN 50 #define CHEAP_GAP_OPEN 20 // penalty for creating a gap (if we have gaps in master) #define DEFAULT_GAP_OPEN 30 // penalty for creating a gap #define MASTER_GAP_EXTEND 18 #define CHEAP_GAP_EXTEND 5 // penalty for extending a gap (if we have gaps in master) #define DEFAULT_GAP_EXTEND 10 // penalty for extending a gap #define DEFAULT_IMPROBABLY_MUTATION 10 // penalty for mutations #define DEFAULT_PROBABLY_MUTATION 4 // penalty for special mutations (A<->G,C<->U/T) (only if 'weighted') #define DYNAMIC_PENALTIES // otherwise you get FIXED PENALTIES (=no cheap penalties) /* ---------------------------------------------------------------- */ #define MAX_GAP_OPEN_DISCOUNT (DEFAULT_GAP_OPEN-CHEAP_GAP_OPEN) // maximum subtracted from DEFAULT_GAP_OPEN #define MAX_GAP_EXTEND_DISCOUNT (DEFAULT_GAP_EXTEND-CHEAP_GAP_EXTEND) // maximum subtracted from DEFAULT_GAP_EXTEND #define MAXN 2 /* Maximum number of sequences (both groups) */ #if (MAXN==2) #define MAXN_2(xxx) xxx #define MAXN_2_assert(xxx) awtc_assert(xxx) #else #define MAXN_2(xxx) #define MAXN_2_assert(xxx) #endif #define TRUE 1 #define FALSE 0 static GB_ERROR error; static bool module_initialized = false; typedef int Boolean; static Boolean dnaflag; static Boolean is_weight; #define MAX_BASETYPES 21 static int xover; static int little_pam; static int big_pam; static int pamo[(MAX_BASETYPES-1)*MAX_BASETYPES/2]; static int pam[MAX_BASETYPES][MAX_BASETYPES]; static int pos1; static int pos2; static int **naa1; // naa1[basetype][position] counts bases for each position of all sequences in group1 static int **naa2; // naa2[basetype][position] same for group2 static int **naas; // static int seqlen_array[MAXN+1]; // length of all sequences static unsigned char *seq_array[MAXN+1]; // the sequences static int group[MAXN+1]; // group of sequence static int alist[MAXN+1]; // indices of sequences to be aligned static int fst_list[MAXN+1]; static int snd_list[MAXN+1]; static int nseqs; // # of sequences static int weights[MAX_BASETYPES][MAX_BASETYPES]; // weights[b1][b2] : penalty for mutation from base 'b1' to base 'b2' #if defined(DEBUG) size_t displ_size = 0; #endif // DEBUG static int *displ; // displ == 0 -> base in both , displ<0 -> displ gaps in slave, displ>0 -> displ gaps in master static int *zza; // column (left->right) of align matrix (minimum of all paths to this matrix element) static int *zzb; // -------------- " ------------------- (minimum of all paths, where gap inserted into slave) static int *zzc; // column (left<-right) of align matrix (minimum of all paths to this matrix element) static int *zzd; // -------------- " ------------------- (minimum of all paths, where gap inserted into slave) static int print_ptr; static int last_print; static const int *gapsBeforePosition; /* static int gap_open; static int gap_extend;*/ #if defined(DEBUG) // #define MATRIX_DUMP // #define DISPLAY_DIFF #endif // DEBUG #ifdef MATRIX_DUMP # define IF_MATRIX_DUMP(xxx) xxx # define DISPLAY_MATRIX_SIZE 3000 static int vertical [DISPLAY_MATRIX_SIZE+2][DISPLAY_MATRIX_SIZE+2]; static int verticalOpen [DISPLAY_MATRIX_SIZE+2][DISPLAY_MATRIX_SIZE+2]; static int diagonal [DISPLAY_MATRIX_SIZE+2][DISPLAY_MATRIX_SIZE+2]; static int horizontal [DISPLAY_MATRIX_SIZE+2][DISPLAY_MATRIX_SIZE+2]; static int horizontalOpen [DISPLAY_MATRIX_SIZE+2][DISPLAY_MATRIX_SIZE+2]; #else # define IF_MATRIX_DUMP(xxx) #endif static inline int master_gap_open(int beforePosition) { #ifdef DYNAMIC_PENALTIES long gaps = gapsBeforePosition[beforePosition-1]; return (gaps)? MASTER_GAP_OPEN - MAX_GAP_OPEN_DISCOUNT : MASTER_GAP_OPEN; /* return gaps >= MAX_GAP_OPEN_DISCOUNT ? DEFAULT_GAP_OPEN-MAX_GAP_OPEN_DISCOUNT : DEFAULT_GAP_OPEN-gaps;*/ #else return DEFAULT_GAP_OPEN; #endif } static inline int master_gap_extend(int beforePosition) { #ifdef DYNAMIC_PENALTIES long gaps = gapsBeforePosition[beforePosition-1]; return (gaps)? MASTER_GAP_EXTEND - MAX_GAP_EXTEND_DISCOUNT : MASTER_GAP_EXTEND; /* return gaps >= MAX_GAP_EXTEND_DISCOUNT ? DEFAULT_GAP_EXTEND-MAX_GAP_EXTEND_DISCOUNT : DEFAULT_GAP_EXTEND-gaps;*/ #else return DEFAULT_GAP_EXTEND; #endif } static inline int master_gapAtWithOpenPenalty(int atPosition, int length, int penalty) { if (length<=0) return 0; int beforePosition = atPosition, afterPosition = atPosition-1; while (length--) { int p1,p2; if ((p1=master_gap_extend(beforePosition)) < (p2=master_gap_extend(afterPosition+1)) && beforePosition>1) { penalty += p1; beforePosition--; } else { penalty += p2; afterPosition++; } } return penalty; } static inline int master_gapAt(int atPosition, int length) { return master_gapAtWithOpenPenalty(atPosition, length, master_gap_open(atPosition)); } static inline int slave_gap_open(int /*beforePosition*/) { return DEFAULT_GAP_OPEN; } static inline int slave_gap_extend(int /*beforePosition*/) { return DEFAULT_GAP_EXTEND; } static inline int slave_gapAtWithOpenPenalty(int atPosition, int length, int penalty) { return length<=0 ? 0 : penalty + length*slave_gap_extend(atPosition); } static inline int slave_gapAt(int atPosition, int length) { return slave_gapAtWithOpenPenalty(atPosition, length, slave_gap_open(atPosition)); } #define UNKNOWN_ACID 255 static const char *amino_acid_order = "XCSTPAGNDEQHRKMILVFYW"; #define NUCLEIDS 16 static const char *nucleic_acid_order = "-ACGTUMRWSYKVHDBN"; static const char *nucleic_maybe_A = "-A----AAA---AAA-A"; static const char *nucleic_maybe_C = "--C---C--CC-CC-CC"; static const char *nucleic_maybe_G = "---G---G-G-GG-GGG"; static const char *nucleic_maybe_T = "----T---T-TT-TTTT"; static const char *nucleic_maybe_U = "-----U--U-UU-UUUU"; static const char *nucleic_maybe[6] = { NULL, nucleic_maybe_A, nucleic_maybe_C, nucleic_maybe_G, nucleic_maybe_T, nucleic_maybe_U }; /* * M = A or C S = G or C V = A or G or C N = A or C or G or T * R = A or G Y = C or T H = A or C or T * W = A or T K = G or T D = A or G or T */ #define cheap_if(cond) ((cond) ? 1 : 2) static int baseCmp(unsigned char c1, unsigned char c2) // c1,c2 == 1=A,2=C (==index of character in nucleic_acid_order[]) // returns 0 for equal // 1 for probably mutations // 2 for improbably mutations { #define COMPARABLE_BASES 5 if (c1==c2) return 0; if (c2G case 2: return cheap_if(c2==4 || c2==5); // C->T/U case 3: return cheap_if(c2==1); // G->A case 4: if (c2==5) return 0; // T->U case 5: if (c2==4) return 0; // U->T return cheap_if(c2==2); // T/U->C default: awtc_assert(0); } } int i; int bestMatch = 3; if (c1<=COMPARABLE_BASES) { for (i=1; i<=COMPARABLE_BASES; i++) { if (isalpha(nucleic_maybe[i][c2])) // 'c2' maybe a 'i' { int match = baseCmp(c1,i); if (match=0 && bestMatch<=2); return bestMatch; } #undef cheap_if int AWTC_baseMatch(char c1, char c2) // c1,c2 == ACGUTRS... // returns 0 for equal // 1 for probably mutations // 2 for improbably mutations // -1 if one char is illegal { const char *p1 = strchr(nucleic_acid_order, c1); const char *p2 = strchr(nucleic_acid_order, c2); awtc_assert(c1); awtc_assert(c2); if (p1 && p2) return baseCmp(p1-nucleic_acid_order, p2-nucleic_acid_order); return -1; } static int getPenalty(char c1, char c2) /* c1,c2 = A=0,C=1,... s.o. */ { switch (baseCmp(c1,c2)) { case 1: return DEFAULT_PROBABLY_MUTATION; case 2: return DEFAULT_IMPROBABLY_MUTATION; default: break; } return 0; } static char *result[3]; // result buffers static char pam250mt[]={ 12, 0, 2, -2, 1, 3, -3, 1, 0, 6, -2, 1, 1, 1, 2, -3, 1, 0,-1, 1, 5, -4, 1, 0,-1, 0, 0, 2, -5, 0, 0,-1, 0, 1, 2, 4, -5, 0, 0,-1, 0, 0, 1, 3, 4, -5,-1,-1, 0, 0,-1, 1, 2, 2, 4, -3,-1,-1, 0,-1,-2, 2, 1, 1, 3, 6, -4, 0,-1, 0,-2,-3, 0,-1,-1, 1, 2, 6, -5, 0, 0,-1,-1,-2, 1, 0, 0, 1, 0, 3, 5, -5,-2,-1,-2,-1,-3,-2,-3,-2,-1,-2, 0, 0, 6, -2,-1, 0,-2,-1,-3,-2,-2,-2,-2,-2,-2,-2, 2, 5, -6,-3,-2,-3,-2,-4,-3,-4,-3,-2,-2,-3,-3, 4, 2, 6, -2,-1, 0,-1, 0,-1,-2,-2,-2,-2,-2,-2,-2, 2, 4, 2, 4, -4,-3,-3,-5,-4,-5,-4,-6,-5,-5,-2,-4,-5, 0, 1, 2,-1, 9, 0,-3,-3,-5,-3,-5,-2,-4,-4,-4, 0,-4,-4,-2,-1,-1,-2, 7,10, -8,-2,-5,-6,-6,-7,-4,-7,-7,-5,-3, 2,-3,-4,-5,-2,-6, 0, 0,17 }; /* static char idmat[]={ 10, 0, 10, 0, 0, 10, 0, 0, 0, 10, 0, 0, 0, 0, 10, 0, 0, 0, 0, 1, 10, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,10, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,10}; */ /* static char pam100mt[]={ 14, -1, 6, -5, 2, 7, -6, 1, -1, 10, -5, 2, 2, 1, 6, -8, 1, -3, -3, 1, 8, -8, 2, 0, -3, -1, -1, 7, -11,-1, -2, -4, -1, -1, 4, 8, -11,-2, -3, -3, 0, -2, 1, 5, 8, -11,-3, -3, -1, -2, -5,-1, 1, 4, 9, -6,-4, -5, -2, -5, -7, 2, -1, -2, 4,11, -6,-1, -4, -2, -5, -8,-3, -6, -5, 1, 1, 10, -11,-2, -1, -4, -4, -5, 1, -2, -2, -1,-3, 3, 8, -11,-4, -2, -6, -3, -8,-5, -8, -6, -2,-7, -2, 1, 13, -5,-4, -1, -6, -3, -7,-4, -6, -5, -5,-7, -4, -4, 2, 9, -12,-7, -5, -5, -5, -8,-6, -9, -7, -3,-5, -7, -6, 4, 2, 9, -4,-4, -1, -4, 0, -4,-5, -6, -5, -5,-6, -6, -6, 1, 5, 1, 8, -10,-5, -6, -9, -7, -8,-6,-11,-11,-10,-4, -7,-11, -2, 0, 0, -5,12, -2,-6, -6,-11, -6,-11,-3, -9, -7, -9,-1,-10,-10, -8, -4,-5, -6, 6,13, -13,-4,-10,-11,-11,-13,-8,-13,-14,-11,-7, 1, -9,-11,-12,-7,-14,-2,-2,19 }; */ static char *matptr = pam250mt; #if (defined(DISPLAY_DIFF) || defined(MATRIX_DUMP)) static GB_ERROR p_decode(const unsigned char *naseq, unsigned char *seq, int l) { int len = strlen(amino_acid_order); for (int i=1; i<=l && naseq[i]; i++) { awtc_assert(naseq[i]c) ? big_pam : c; } for(i=0;i<210;++i) pamo[i]= matptr[i]-little_pam; nv -= little_pam; big_pam -= little_pam; xover = big_pam - nv; /* fprintf(stdout,"\n\nxover= %d, big_pam = %d, little_pam=%d, nv = %d\n\n" ,xover,big_pam,little_pam,nv); */ } static void fill_pam() { int i,j,pos; pos=0; for(i=0;i<20;++i) for(j=0;j<=i;++j) pam[i][j]=pamo[pos++]; for(i=0;i<20;++i) for(j=0;j<=i;++j) pam[j][i]=pam[i][j]; if(dnaflag) { xover=4; big_pam=8; for(i=0;i<=NUCLEIDS;++i) for(j=0;j<=NUCLEIDS;++j) weights[i][j] = getPenalty(i,j); } else { for(i=1;i= 0 && offset= 0 && offset0) { set_displ(print_ptr-1,v); set_displ(print_ptr++,last_print); } else { last_print = set_displ(print_ptr++,v); } } static MAXN_2(inline) int calc_weight(int iat,int jat,int v1,int v2) { #if (MAXN==2) awtc_assert(pos1==1 && pos2==1); unsigned char j = seq_array[alist[1]][v2+jat-1]; return j<128 ? naas[j][v1+iat-1] : 0; #else int sum,i,lookn,ret; int ipos,jpos; ipos = v1 + iat -1; jpos = v2 + jat -1; ret = 0; sum = lookn = 0; if(pos1>=pos2) { for(i=1;i<=pos2;++i) { unsigned char j=seq_array[alist[i]][jpos]; if (j<128) { sum += naas[j][ipos]; ++lookn; } } } else { for(i=1;i<=pos1;++i) { unsigned char j = seq_array[alist[i]][ipos]; if (j<128) { sum += naas[j][jpos]; ++lookn; } } } if (sum>0) ret = sum/lookn; return ret; #endif } #ifdef MATRIX_DUMP static inline const unsigned char *lstr(const unsigned char *s, int len) { static unsigned char *lstr_ss = 0; freeset(lstr_ss, (unsigned char*)strndup((const char*)s,len)); return lstr_ss; } static inline const unsigned char *nstr(unsigned char *cp, int length) { const unsigned char *s = lstr(cp,length); (dnaflag ? n_decode : p_decode)(s-1, const_cast(s-1), length); return s; } static inline void dumpMatrix(int x0, int y0, int breite, int hoehe, int mitte_vert) { int b; int h; char *sl = (char*)malloc(hoehe+3); char *ma = (char*)malloc(breite+3); sprintf(ma, "-%s-", nstr(seq_array[1]+x0, breite)); sprintf(sl, "-%s-", nstr(seq_array[2]+y0, hoehe)); printf(" "); for (b=0; b<=mitte_vert; b++) printf("%5c", ma[b]); printf(" MID"); for (b++; b<=breite+1+1; b++) printf("%5c", ma[b-1]); for (h=0; h<=hoehe+1; h++) { printf("\n%c vertical: ", sl[h]); for (b=0; b<=breite+1+1; b++) printf("%5i", vertical[b][h]); printf("\n verticalOpen: "); for (b=0; b<=breite+1+1; b++) printf("%5i", verticalOpen[b][h]); printf("\n diagonal: "); for (b=0; b<=breite+1+1; b++) printf("%5i", diagonal[b][h]); printf("\n horizontal: "); for (b=0; b<=breite+1+1; b++) printf("%5i", horizontal[b][h]); printf("\n horizontalOpen:"); for (b=0; b<=breite+1+1; b++) printf("%5i", horizontalOpen[b][h]); printf("\n"); } printf("--------------------\n"); free(ma); free(sl); } #endif static int diff(int v1,int v2,int v3,int v4, int st,int en) /* v1,v3 master sequence (v1=offset, v3=length) * v2,v4 slave sequence (v2=offset, v4=length) * st,en gap_open-penalties for start and end of the sequence * * returns costs for inserted gaps */ { int ctrc,ctri,ctrj=0, i,j,k,l,m,n,p, flag; #ifdef DEBUG # ifdef MATRIX_DUMP int display_matrix = 0; awtc_assert(v3<=(DISPLAY_MATRIX_SIZE+2)); // width awtc_assert(v4<=(DISPLAY_MATRIX_SIZE)); // height # define DISPLAY_MATRIX_ELEMENTS ((DISPLAY_MATRIX_SIZE+2)*(DISPLAY_MATRIX_SIZE+2)) memset(vertical, -1, DISPLAY_MATRIX_ELEMENTS*sizeof(int)); memset(verticalOpen, -1, DISPLAY_MATRIX_ELEMENTS*sizeof(int)); memset(diagonal, -1, DISPLAY_MATRIX_ELEMENTS*sizeof(int)); memset(horizontal, -1, DISPLAY_MATRIX_ELEMENTS*sizeof(int)); memset(horizontalOpen, -1, DISPLAY_MATRIX_ELEMENTS*sizeof(int)); # endif #endif static int deep; deep++; #if (defined (DEBUG) && 0) { char *d; d = lstr(seq_array[1]+v1,v3); (dnaflag ? n_decode : p_decode)(d-1,d-1,v3); for (int cnt=0; cnt0) { if (last_print<0 && print_ptr>0) { last_print = decr_displ(print_ptr-1,v3); // add .. } else { last_print = set_displ(print_ptr++,-(v3)); // .. or insert gap of length 'v3' into slave } } deep--; return master_gapAt(v1,v3); } if(v3<=1) { if(v3<=0) { // if master sequence is empty add(v4); // ??? insert gap length 'v4' into master ??? deep--; return slave_gapAt(v2,v4); } awtc_assert(v3==1); // if master length == 1 if (v4==1) { if(st>en) st=en; /***************if(!v4)*********BUG********************************/ ctrc = slave_gapAtWithOpenPenalty(v2,v4,st); ctrj = 0; for(j=1;j<=v4;++j) { k = slave_gapAt(v2, j-1) + calc_weight(1,j,v1,v2) + slave_gapAt(v2+j,v4-j); if(k0) last_print = decr_displ(print_ptr-1,1); else last_print = set_displ(print_ptr++,-1); } else { if (ctrj>1) add(ctrj-1); set_displ(print_ptr++,last_print = 0); if (ctrj=1 && v4>=1); // slave length >= 1 // master length >= 1 # define AF 0 // first column of matrix (slave side): IF_MATRIX_DUMP(vertical[0][0]=) zza[0] = 0; p = master_gap_open(v1); for(j=1; j<=v4; j++) { p += master_gap_extend(v1); IF_MATRIX_DUMP(vertical[0][j]=) zza[j] = p; IF_MATRIX_DUMP(verticalOpen[0][j]=) zzb[j] = p + master_gap_open(v1); } // left half of the matrix p = st; ctri = v3 / 2; for(i=1; i<=ctri; i++) { n = zza[0]; p += master_gap_extend(v1+i+AF); k = p; IF_MATRIX_DUMP(vertical[i][0]=) zza[0] = k; l = p + master_gap_open(v1+i+AF); for(j=1; j<=v4; j++) { // from above (gap in master (behind position i)) IF_MATRIX_DUMP(verticalOpen[i][j]=) k += master_gap_open(v1+i+AF)+master_gap_extend(v1+i+AF); // (1) IF_MATRIX_DUMP(vertical[i][j]=) l += master_gap_extend(v1+i+AF); // (2) if(k-1; j--) { p += master_gap_extend(v1+v3); IF_MATRIX_DUMP(vertical[v3+1+MHO][j+BO]=) zzc[j] = p; IF_MATRIX_DUMP(verticalOpen[v3+1+MHO][j+BO]=) zzd[j] = p+master_gap_open(v1+v3); } // right half of matrix (backwards): p = en; for(i=v3-1;i>=ctri;i--) { n = zzc[v4]; p += master_gap_extend(v1+i); k = p; IF_MATRIX_DUMP(vertical[i+BO+MHO][v4+1]=) zzc[v4] = k; l = p+master_gap_open(v1+i); for(j=v4-1; j>=0; j--) { // from below (gap in master (in front of position (i+BO))) IF_MATRIX_DUMP(verticalOpen[i+BO+MHO][j+BO]=) k += master_gap_open(v1+i)+master_gap_extend(v1+i); // (1) IF_MATRIX_DUMP(vertical[i+BO+MHO][j+BO]=) l += master_gap_extend(v1+i); // (2) if(k=(ctri?0:1);j--) { IF_MATRIX_DUMP(verticalOpen[ctri+MHO][j]=) k = zzb[j] + zzd[j] // paths where gaps were inserted into slave (left and right side!) - slave_gap_open(j); // subtract gap_open-penalty which was added twice (at left and right end of gap) if(k=1 && flag<=2); #undef MHO #ifdef MATRIX_DUMP if (display_matrix) dumpMatrix(v1,v2,v3,v4,ctri); #endif /* Conquer recursively around midpoint */ if(flag==1) /* Type 1 gaps */ { diff(v1,v2,ctri,ctrj,st,master_gap_open(v1+ctri)); // includes midpoint ctri and ctrj diff(v1+ctri,v2+ctrj,v3-ctri,v4-ctrj,master_gap_open(v1+ctri),en); } else { diff(v1,v2,ctri-1,ctrj,st,0); // includes midpoint ctrj if(last_print<0 && print_ptr>0) /* Delete 2 */ last_print = decr_displ(print_ptr-1,2); else last_print = set_displ(print_ptr++,-2); diff(v1+ctri+1,v2+ctrj,v3-ctri-1,v4-ctrj,0,en); } deep--; return ctrc; /* Return the score of the best alignment */ } static void do_align( /*int v1,*/ int *score, long act_seq_length) { int i,j,k,l1,l2,n; int t_arr[MAX_BASETYPES]; l1=l2=pos1=pos2=0; // clear statistics for(i=1;i<=act_seq_length;++i) { for(j=0;jl1) l1=seqlen_array[i]; } else if (group[i]==2) { snd_list[++pos2]=i; for (j=1;j<=seqlen_array[i];++j) { unsigned char b = seq_array[i][j]; if (b<128) { ++naa2[b][j]; ++naa2[0][j]; } } if (seqlen_array[i]>l2) l2=seqlen_array[i]; } } if(pos1>=pos2) { for(i=1;i<=pos2;++i) alist[i]=snd_list[i]; for(n=1;n<=l1;++n) { for(i=1;i0) { for(j=1;j0) { for (i=1;i0) for (j=1;j0) for (i=1;i0) for(j=1;j<=xtra;++j) seq_array[i][seqlen_array[i]+j] = -1; for(j=1;j<=len;++j) if(seq[j] == '-') { for(k=len;k>=j+1;--k) seq_array[i][k] = seq_array[i][k-1]; seq_array[i][j] = -1; } seqlen_array[i] = len; } } */ static int add_ggaps(long /*max_seq_length*/) { int i,j,k,pos,to_do; pos=1; to_do=print_ptr; for(i=0;i0) { for(j=0;j<=k-1;++j) { result[2][pos+j]='*'; result[1][pos+j]='-'; } pos += k; } else { k = (displ[i]<0) ? displ[i] * -1 : displ[i]; for(j=0;j<=k-1;++j) { result[1][pos+j]='*'; result[2][pos+j]='-'; } pos += k; } } } #ifdef DEBUG result[1][pos] = 0; result[2][pos] = 0; #endif return pos-1; } static int res_index(const char *t,char c) { if (t[0]==c) return UNKNOWN_ACID; for (int i=1; t[i]; i++) { if (t[i]==c) return i; } return 0; } static GB_ERROR p_encode(const unsigned char *seq, unsigned char *naseq, int l) /* code seq as ints .. use -2 for gap */ { bool warned = false; for(int i=1; i<=l; i++) { int c = res_index(amino_acid_order,seq[i]); if (!c) { if (seq[i] == '*') { c = -2; } else { if (!warned && seq[i] != '?') { // consensus contains ? and it means X char buf[100]; sprintf(buf, "Illegal character '%c' in sequence data", seq[i]); aw_message(buf); warned = true; } c = res_index(amino_acid_order, 'X'); } } awtc_assert(c>0 || c == -2); naseq[i] = c; } return 0; } static GB_ERROR n_encode(const unsigned char *seq,unsigned char *naseq,int l) { /* code seq as ints .. use -2 for gap */ int i; /* static char *nucs="ACGTU"; */ int warned = 0; for(i=1; i<=l; i++) { int c = res_index(nucleic_acid_order,seq[i]); if (!c) { if (!warned && seq[i] != '?') { char buf[100]; sprintf(buf, "Illegal character '%c' in sequence data", seq[i]); aw_message(buf); warned = 1; } c = res_index(nucleic_acid_order, 'N'); } awtc_assert(c>0); naseq[i] = c; } return 0; } GB_ERROR AWTC_ClustalV_align(int is_dna, int weighted, const char *seq1, int length1, const char *seq2, int length2, const int *gapsBefore1, int max_seq_length, char **resultPtr1, char **resultPtr2, int *resLengthPtr, int *score) { error = 0; gapsBeforePosition = gapsBefore1; if (!module_initialized) { // initialize only once dnaflag = is_dna; is_weight = weighted; init_myers(max_seq_length); init_show_pair(max_seq_length); make_pamo(0); fill_pam(); for (int i=1; i<=2; i++) { seq_array[i] = (unsigned char*)ckalloc((max_seq_length+2)*sizeof(char)); result[i] = (char*)ckalloc((max_seq_length+2)*sizeof(char)); group[i] = i; } if (!error) module_initialized = true; } else { if (dnaflag!=is_dna || is_weight!=weighted) { error = "Please call AWTC_ClustalV_align_exit() between calls that differ in\n" "one of the following parameters:\n" " is_dna, weighted"; } } if (!error) { nseqs = 2; print_ptr = 0; #if defined(DEBUG) && 1 memset(&seq_array[1][1], 0, max_seq_length*sizeof(seq_array[1][1])); memset(&seq_array[2][1], 0, max_seq_length*sizeof(seq_array[2][1])); memset(&displ[1], 0xff, max_seq_length*sizeof(displ[1])); seq_array[1][0] = '_'; seq_array[2][0] = '_'; #endif { GB_ERROR (*encode)(const unsigned char*,unsigned char*,int) = dnaflag ? n_encode : p_encode; error = encode((const unsigned char*)(seq1-1), seq_array[1], length1); if (!error) { seqlen_array[1] = length1; error = encode((const unsigned char*)(seq2-1), seq_array[2], length2); if (!error) { seqlen_array[2] = length2; do_align(/* gap_open,*/ score, max(length1,length2)); int alignedLength = add_ggaps(max_seq_length); *resultPtr1 = result[1]+1; *resultPtr2 = result[2]+1; *resLengthPtr = alignedLength; } } } } return error; } void AWTC_ClustalV_align_exit(void) { if (module_initialized) { module_initialized = false; for (int i=1; i<=2; i++) { free(result[i]); free(seq_array[i]); } exit_show_pair(); exit_myers(); } } ./arbsrc_9167/SL/FAST_ALIGNER/ClustalV.hxx0000644012664100000130000000233411440743001017635 0ustar arb_buildcoders// =============================================================== // // // // File : awtc_ClustalV.hxx // // Purpose : Clustal V // // // // Coded by Ralf Westram (coder@reallysoft.de) in June 2008 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef AWTC_CLUSTALV_HXX #define AWTC_CLUSTALV_HXX GB_ERROR AWTC_ClustalV_align(int is_dna, int weighted, const char *seq1, int length1, const char *seq2, int length2, const int *gapsBefore1, int max_seq_length, char **result1, char **result2, int *result_len, int *score); void AWTC_ClustalV_align_exit(void); int AWTC_baseMatch(char c1, char c2); #else #error awtc_ClustalV.hxx included twice #endif // AWTC_CLUSTALV_HXX ./arbsrc_9167/SL/FAST_ALIGNER/fast_aligner.cxx0000644012664100000130000032424411440743001020540 0ustar arb_buildcoders// =============================================================== // // // // File : AWTC_fast_aligner.cxx // // Purpose : A fast aligner (not a multiple aligner!) // // // // Coded by Ralf Westram (coder@reallysoft.de) in 1998 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include #include #include "ClustalV.hxx" #include "fast_aligner.hxx" #include #include #include #include #include #include #include #include #include #include #include // -------------------------------------------------------------------------------- enum FA_report { FA_NO_REPORT, // no report FA_TEMP_REPORT, // report to temporary entries FA_REPORT, // report to resident entries }; enum FA_range { FA_WHOLE_SEQUENCE, // align whole sequence FA_AROUND_CURSOR, // align xxx positions around current cursor position FA_SELECTED_RANGE, // align selected range }; enum FA_turn { FA_TURN_NEVER, // never try to turn sequence FA_TURN_INTERACTIVE, // try to turn, but query user FA_TURN_ALWAYS, // turn if score is better }; enum FA_reference { FA_REF_EXPLICIT, // reference sequence explicitely specified FA_REF_CONSENSUS, // use group consensus as reference FA_REF_RELATIVES, // search next relatives by PT server }; enum FA_alignTarget { FA_CURRENT, // align current species FA_MARKED, // align all marked species FA_SELECTED, // align selected species (= range) }; struct AlignParams { // int temporary; // // ==1 -> create only temporary aligment report into alignment (2=resident,0=none) FA_report report; bool showGapsMessages; // display messages about missing gaps in master? int firstColumn; // first column of range to be aligned (0..len-1) int lastColumn; // last column of range to be aligned (0..len-1, -1 = (len-1)) }; struct SearchRelativeParams { int pt_server_id; // pt_server to search for next relative GB_CSTR pt_server_alignment; // alignment used in pt_server (may differ from 'alignment') int maxRelatives; // max # of relatives to use int fam_oligo_len; // oligo length int fam_mismatches; // allowed mismatches bool fam_fast_mode; // fast family find (serch only oligos starting with 'A') bool fam_rel_matches; // sort results by relative matches }; // -------------------------------------------------------------------------------- #define GAP_CHAR '-' #define QUALITY_NAME "ASC_ALIGNER_CLIENT_SCORE" #define INSERTS_NAME "AMI_ALIGNER_MASTER_INSERTS" #define FA_AWAR_ROOT "faligner/" #define FA_AWAR_TO_ALIGN FA_AWAR_ROOT "what" #define FA_AWAR_REFERENCE FA_AWAR_ROOT "against" #define FA_AWAR_REFERENCE_NAME FA_AWAR_ROOT "sagainst" #define FA_AWAR_RANGE FA_AWAR_ROOT "range" #define FA_AWAR_PROTECTION FA_AWAR_ROOT "protection" #define FA_AWAR_AROUND FA_AWAR_ROOT "around" #define FA_AWAR_MIRROR FA_AWAR_ROOT "mirror" #define FA_AWAR_REPORT FA_AWAR_ROOT "report" #define FA_AWAR_SHOW_GAPS_MESSAGES FA_AWAR_ROOT "show_gaps" #define FA_AWAR_USE_SECONDARY FA_AWAR_ROOT "use_secondary" #define FA_AWAR_NEXT_RELATIVES FA_AWAR_ROOT "next_relatives" #define FA_AWAR_PT_SERVER_ALIGNMENT "tmp/" FA_AWAR_ROOT "relative_ali" #define FA_AWAR_ISLAND_HOPPING_ROOT "island_hopping/" #define FA_AWAR_USE_ISLAND_HOPPING FA_AWAR_ISLAND_HOPPING_ROOT "use" #define FA_AWAR_ESTIMATE_BASE_FREQ FA_AWAR_ISLAND_HOPPING_ROOT "estimate_base_freq" #define FA_AWAR_BASE_FREQ_A FA_AWAR_ISLAND_HOPPING_ROOT "base_freq_a" #define FA_AWAR_BASE_FREQ_C FA_AWAR_ISLAND_HOPPING_ROOT "base_freq_c" #define FA_AWAR_BASE_FREQ_G FA_AWAR_ISLAND_HOPPING_ROOT "base_freq_g" #define FA_AWAR_BASE_FREQ_T FA_AWAR_ISLAND_HOPPING_ROOT "base_freq_t" #define FA_AWAR_SUBST_PARA_AC FA_AWAR_ISLAND_HOPPING_ROOT "subst_para_ac" #define FA_AWAR_SUBST_PARA_AG FA_AWAR_ISLAND_HOPPING_ROOT "subst_para_ag" #define FA_AWAR_SUBST_PARA_AT FA_AWAR_ISLAND_HOPPING_ROOT "subst_para_at" #define FA_AWAR_SUBST_PARA_CG FA_AWAR_ISLAND_HOPPING_ROOT "subst_para_cg" #define FA_AWAR_SUBST_PARA_CT FA_AWAR_ISLAND_HOPPING_ROOT "subst_para_ct" #define FA_AWAR_SUBST_PARA_GT FA_AWAR_ISLAND_HOPPING_ROOT "subst_para_gt" #define FA_AWAR_EXPECTED_DISTANCE FA_AWAR_ISLAND_HOPPING_ROOT "expected_dist" #define FA_AWAR_STRUCTURE_SUPPLEMENT FA_AWAR_ISLAND_HOPPING_ROOT "struct_suppl" #define FA_AWAR_THRESHOLD FA_AWAR_ISLAND_HOPPING_ROOT "threshold" #define FA_AWAR_GAP_A FA_AWAR_ISLAND_HOPPING_ROOT "gapa" #define FA_AWAR_GAP_B FA_AWAR_ISLAND_HOPPING_ROOT "gapb" #define FA_AWAR_GAP_C FA_AWAR_ISLAND_HOPPING_ROOT "gapc" // -------------------------------------------------------------------------------- extern GBDATA *GLOBAL_gb_main; static IslandHopping *island_hopper = 0; static GB_alignment_type global_alignmentType = GB_AT_UNKNOWN; // type of actually aligned sequence static int currentSequenceNumber; // used for counter static int overallSequenceNumber; // -------------------------------------------------------------------------------- static inline GB_ERROR species_not_found(GB_CSTR species_name) { return GB_export_errorf("No species '%s' found!", species_name); } static GB_ERROR reverseComplement(GBDATA *gb_species, GB_CSTR ali, int max_protection) { GBDATA *gbd = GBT_read_sequence(gb_species, ali); GB_ERROR error = 0; if (!gbd) { error = GB_export_errorf("No 'data' found for species '%s'", GBT_read_name(gb_species)); } else { int my_protection = GB_read_security_write(gbd); if (my_protection<=max_protection) { // ok char *seq = GB_read_string(gbd); int length = GB_read_string_count(gbd); GB_alignment_type ali_type = GBT_get_alignment_type(GLOBAL_gb_main, ali); char T_or_U; error = GBT_determine_T_or_U(ali_type, &T_or_U, "reverse-complement"); if (!error) { GBT_reverseComplementNucSequence(seq, length, T_or_U); error = GB_write_string(gbd, seq); } } else { // protection error error = GB_export_errorf("Cannot reverse-complement species '%s' because of protection level", GBT_read_name(gb_species)); } } return error; } void AWTC_build_reverse_complement(AW_window *aw, AW_CL cd2) { GB_push_transaction(GLOBAL_gb_main); AW_root *root = aw->get_root(); FA_alignTarget revComplWhat = static_cast(root->awar(FA_AWAR_TO_ALIGN)->read_int()); char *default_alignment = GBT_get_default_alignment(GLOBAL_gb_main); GB_CSTR alignment = root->awar_string(AWAR_EDITOR_ALIGNMENT, default_alignment)->read_string(); GB_ERROR error = 0; int max_protection = root->awar(FA_AWAR_PROTECTION)->read_int(); switch (revComplWhat) { case FA_CURRENT: { // current species GB_CSTR species_name = root->awar(AWAR_SPECIES_NAME)->read_string(); GBDATA *gb_species = GBT_find_species(GLOBAL_gb_main, species_name); if (!gb_species) error = species_not_found(species_name); if (!error) error = reverseComplement(gb_species, alignment, max_protection); break; } case FA_MARKED: { // marked species GBDATA *gb_species = GBT_first_marked_species(GLOBAL_gb_main); if (!gb_species) { error = GB_export_error("There is no marked species"); } while (gb_species) { error = reverseComplement(gb_species, alignment, max_protection); if (error) break; gb_species = GBT_next_marked_species(gb_species); } break; } case FA_SELECTED: { // selected species static struct AWTC_faligner_cd *cd = (struct AWTC_faligner_cd *)cd2; AWTC_get_first_selected_species get_first_selected_species = cd->get_first_selected_species; AWTC_get_next_selected_species get_next_selected_species = cd->get_next_selected_species; int count = 0; GBDATA *gb_species = get_first_selected_species(&count); if (!gb_species) { error = GB_export_error("There is no selected species!"); } while (gb_species) { error = reverseComplement(gb_species, alignment, max_protection); if (error) break; gb_species = get_next_selected_species(); } break; } default: { awtc_assert(0); break; } } GB_end_transaction_show_error(GLOBAL_gb_main, error, aw_message); } // -------------------------------------------------------------------------------- class UnalignedBasesList; class UnalignedBases { int start, // absolute positions end; UnalignedBases *next; friend class UnalignedBasesList; public: UnalignedBases(int pos1, int posn) { start = pos1; end = posn; next = 0; } ~UnalignedBases() { delete next; } int get_start() const { return start; } int get_end() const { return end; } }; class UnalignedBasesList { UnalignedBases *head; public: UnalignedBasesList() { head = 0; } ~UnalignedBasesList() { delete head; } void clear() { delete head; head = 0; } int is_empty() const { return head==0; } void memorize(int start, int end) { #ifdef DEBUG printf("memorize %i-%i\n", start, end); #endif awtc_assert(start<=end); UnalignedBases *ub = new UnalignedBases(start, end); ub->next = head; head = ub; } void recall(int *start, int *end) { UnalignedBases *ub = head; if (start) *start = ub->start; if (end) *end = ub->end; #ifdef DEBUG printf("recall %i-%i\n", ub->start, ub->end); #endif head = head->next; ub->next = 0; delete ub; } void add(UnalignedBasesList *ubl); int add_and_recalc_positions(UnalignedBasesList *ubl, AWTC_CompactedSubSequence *oldSequence, AWTC_CompactedSubSequence *newSequence); }; inline void UnalignedBasesList::add(UnalignedBasesList *ubl) { if (!ubl->is_empty()) { if (is_empty()) { head = ubl->head; } else { UnalignedBases *last = head; while (last->next) { last = last->next; } last->next = ubl->head; } ubl->head = 0; } } inline int UnalignedBasesList::add_and_recalc_positions(UnalignedBasesList *ubl, AWTC_CompactedSubSequence *oldSequence, AWTC_CompactedSubSequence *newSequence) { // returns the number of unaligned bases int bases = 0; if (!ubl->is_empty()) { UnalignedBases *toCorrect = ubl->head; awtc_assert(oldSequence->length()==newSequence->length()); add(ubl); while (toCorrect) { int cs = oldSequence->compPosition(toCorrect->start); // compressed positions in oldSequence = compressed positions in newSequence int ce = oldSequence->compPosition(toCorrect->end); bases += ce-cs+1; #ifdef DEBUG printf("add_and_recalc_positions %i/%i -> ", toCorrect->start, toCorrect->end); #endif toCorrect->start = newSequence->expdPosition(cs) - newSequence->no_of_gaps_before(cs); toCorrect->end = newSequence->expdPosition(ce) + newSequence->no_of_gaps_after(ce); // if (cs>0) { // toCorrect->start = newSequence->expdPosition(cs-1)+1; // first position after left neighbour (to get all gaps left of part) // } // else { // toCorrect->start = newSequence->expdStartPosition(); //newSequence->expdPosition(cs); // } // if (celength()) { // toCorrect->end = newSequence->expdPosition(ce+1)-1; // last position before right neighbour (to get all gaps right of part) // } // else { // toCorrect->end = newSequence->expdPosition(ce); // } #ifdef DEBUG printf("%i/%i\n", toCorrect->start, toCorrect->end); #endif toCorrect = toCorrect->next; } } return bases; } static UnalignedBasesList unaligned_bases; // if fast_align cannot align (no master bases) -> stores positions here ATTRIBUTED(__ATTR__USERESULT, static inline GB_ERROR AWTC_memerr()) { return "out of memory"; } static const char *AWTC_read_name(GBDATA *gbd) { return gbd ? GBT_read_name(gbd) : "GROUP-CONSENSUS"; } static inline int relatedBases(char base1, char base2) { return AWTC_baseMatch(base1, base2)==1; } static inline char alignQuality(char slave, char master) { awtc_assert(slave); awtc_assert(master); char result = '#'; if (slave==master) result = '-'; // equal else if (slave==GAP_CHAR) result = '+'; // inserted gap else if (master==GAP_CHAR) result = '+'; // no gap in master else if (relatedBases(slave,master)) result = '~'; // mutation (related bases) return result; // mutation (non-related bases) } // -------------------------------------------------------------------------------- // Debugging stuff // -------------------------------------------------------------------------------- #ifdef DEBUG static char *lstr(const char *s, int len) { static int alloc; static char *buffer; if (alloc<(len+1)) { if (alloc) free(buffer); buffer = (char*)malloc(alloc=len+100); } memcpy(buffer, s, len); buffer[len] = 0; return buffer; } #define BUFLEN 120 static inline char compareChar(char base1, char base2) { return base1==base2 ? '=' : (relatedBases(base1,base2) ? 'x' : 'X'); } static void dump_n_compare_one(const char *seq1, const char *seq2, long len, long offset) { awtc_assert(len<=BUFLEN); char compare[BUFLEN+1]; for (long l=0; lBUFLEN) { printf(" %li '%s'\n", offset, lstr(seq, BUFLEN)); seq += BUFLEN; len -= BUFLEN; offset += BUFLEN; } awtc_assert(len>0); printf(" '%s'\n", lstr(seq, len)); } static void dump_n_compare(const char *text, const char *seq1, long len1, const char *seq2, long len2) { long offset = 0; printf(" Comparing %s:\n", text); while (len1>0 && len2>0) { long done = 0; if (len1>=BUFLEN && len2>=BUFLEN) { dump_n_compare_one(seq1, seq2, done=BUFLEN, offset); } else { long min = len10) dump_rest(seq1, len1, 1, offset); if (len2>0) dump_rest(seq2, len2, 2, offset); printf(" -------------------\n"); } static void dump_n_compare(const char *text, const AWTC_CompactedSubSequence& seq1, const AWTC_CompactedSubSequence& seq2) { dump_n_compare(text, seq1.text(), seq1.length(), seq2.text(), seq2.length()); } #undef BUFLEN static inline void dumpSeq(const char *seq, long len, long pos) { printf("'%s' ", lstr(seq, len)); printf("(Pos=%li,Len=%li)", pos, len); } #define dump() \ do \ { \ double sig = partSignificance(sequence().length(), slaveSequence.length(), bestLength); \ \ printf(" Score = %li (Significance=%f)\n" \ " Master = ", bestScore, sig); \ dumpSeq(bestMasterLeft.text(), bestLength, bestMasterLeft.leftOf()); \ printf("\n" \ " Slave = "); \ dumpSeq(bestSlaveLeft.text(), bestLength, bestSlaveLeft.leftOf()); \ printf("\n"); \ } \ while(0) #endif /*DEBUG*/ // -------------------------------------------------------------------------------- // INLINE-functions used in fast_align(): // -------------------------------------------------------------------------------- static inline double log3(double d) { return log(d)/log(3.0); } static inline double partSignificance(long seq1len, long seq2len, long partlen) // returns log3 of significance of the part // usage: partSignificance(...) < log3(maxAllowedSignificance) { return log3((seq1len-partlen)*(seq2len-partlen)) - partlen; } #if 0 static inline void recalcUsedBuffer(char **bufPtr, long *lenPtr, long *usedPtr, long used) { *bufPtr += used; *lenPtr -= used; *usedPtr += used; } #endif static inline GB_ERROR bufferTooSmall() { return GB_export_error("Cannot align - reserved buffer is to small"); } static inline long insertsToNextBase(AWTC_alignBuffer *alignBuffer, const AWTC_SequencePosition& master) { int inserts; int nextBase; if (master.rightOf()>0) { nextBase = master.expdPosition(); } else { nextBase = master.sequence().expdPosition(master.sequence().length()); } inserts = nextBase-alignBuffer->offset(); return inserts; } static inline void insertBase(AWTC_alignBuffer *alignBuffer, AWTC_SequencePosition& master, AWTC_SequencePosition& slave, AWTC_fast_align_report *report) { char slaveBase = *slave.text(); char masterBase = *master.text(); alignBuffer->set(slaveBase, alignQuality(slaveBase, masterBase)); report->count_aligned_base(slaveBase!=masterBase); ++slave; ++master; } static inline void insertSlaveBases(AWTC_alignBuffer *alignBuffer, AWTC_SequencePosition& slave, int length, AWTC_fast_align_report *report) { alignBuffer->copy(slave.text(), alignQuality(*slave.text(),GAP_CHAR), length); report->count_unaligned_base(length); slave += length; } static inline void insertGap(AWTC_alignBuffer *alignBuffer, AWTC_SequencePosition& master, AWTC_fast_align_report *report) { char masterBase = *master.text(); alignBuffer->set(GAP_CHAR, alignQuality(GAP_CHAR, masterBase)); report->count_aligned_base(masterBase!=GAP_CHAR); ++master; } static inline GB_ERROR insertClustalValigned(AWTC_alignBuffer *alignBuffer, AWTC_SequencePosition& master, AWTC_SequencePosition& slave, const char *masterAlignment, const char *slaveAlignment, long alignmentLength, AWTC_fast_align_report *report) // inserts bases of 'slave' to 'alignBuffer' according to alignment in 'masterAlignment' and 'slaveAlignment' { #define ACID '*' // contents of 'masterAlignment' and 'slaveAlignment' #define GAP '-' int pos; int baseAtLeft = 0; // TRUE -> last position in alignBuffer contains a base for (pos=0; pos0) { if (insert>alignBuffer->free()) return bufferTooSmall(); alignBuffer->set(GAP_CHAR, alignQuality(GAP_CHAR, GAP_CHAR), insert); awtc_assert(insertsToNextBase(alignBuffer,master)==0); insert = 0; } if (!alignBuffer->free()) return bufferTooSmall(); if (slaveAlignment[pos]==ACID) { insertBase(alignBuffer, master, slave, report); baseAtLeft = 1; } else { insertGap(alignBuffer, master, report); baseAtLeft = 0; } } else { int slave_bases; //int memo = 0; awtc_assert(masterAlignment[pos]==GAP); for (slave_bases=1; pos+slave_basesslave_bases) { int ins_gaps = insert-slave_bases; awtc_assert(alignBuffer->free()>=ins_gaps); alignBuffer->set(GAP_CHAR, alignQuality(GAP_CHAR, GAP_CHAR), ins_gaps); insert -= ins_gaps; } if (insertmemorize_insertion(master.expdPosition(), slave_bases-insert); } else if (insert>slave_bases) { // master has more gaps than slave bases to insert awtc_assert(baseAtLeft); } int start = slave.expdPosition(); // memorize base positions without counterpart in master int end = slave.expdPosition(slave_bases-1); unaligned_bases.memorize(start, end); if (slave_bases>alignBuffer->free()) return bufferTooSmall(); insertSlaveBases(alignBuffer, slave, slave_bases, report); pos += slave_bases-1; // -1 compensates for()-increment baseAtLeft = 1; } } return 0; #undef GAP #undef ACID } static inline GB_ERROR insertAligned(AWTC_alignBuffer *alignBuffer, AWTC_SequencePosition& master, AWTC_SequencePosition& slave, long partLength, AWTC_fast_align_report *report) // insert bases of 'slave' to 'alignBuffer' according to 'master' { if (partLength) { long insert = insertsToNextBase(alignBuffer, master); awtc_assert(partLength>=0); if (insert<0) { // insert gaps into master long min_insert = insert; report->memorize_insertion(master.expdPosition(), -insert); while (insert<0 && partLength) { if (insertfree()) { return bufferTooSmall(); } insertBase(alignBuffer, master, slave, report); partLength--; insert = insertsToNextBase(alignBuffer,master); } awtc_assert(partLength>=0); if (partLength==0) { // all inserted return NULL; } } awtc_assert(insert>=0); if (insert>0) { // insert gaps into slave if (insert>alignBuffer->free()) return bufferTooSmall(); alignBuffer->set(GAP_CHAR, alignQuality(GAP_CHAR, GAP_CHAR), insert); awtc_assert(insertsToNextBase(alignBuffer,master)==0); } awtc_assert(partLength>=0); while (partLength--) { insert = insertsToNextBase(alignBuffer,master); awtc_assert(insert>=0); if (insert>0) { if (insert>=alignBuffer->free()) return bufferTooSmall(); alignBuffer->set(GAP_CHAR, alignQuality(GAP_CHAR, GAP_CHAR), insert); } else { if (!alignBuffer->free()) { return bufferTooSmall(); } } insertBase(alignBuffer, master, slave, report); } } return NULL; } static inline GB_ERROR cannot_fast_align(const AWTC_CompactedSubSequence& master, long moffset, long mlength, const AWTC_CompactedSubSequence& slaveSequence, long soffset, long slength, int max_seq_length, AWTC_alignBuffer *alignBuffer, AWTC_fast_align_report *report) { const char *mtext = master.text(moffset); const char *stext = slaveSequence.text(soffset); char *maligned, *saligned; int len; GB_ERROR error = 0; if (slength) { if (mlength) { // if slave- and master-sequences contain bases, we call the slow aligner int score; #if defined(DEBUG) && 1 printf("ClustalV-Align:\n"); printf(" mseq = '%s'\n", lstr(mtext, mlength)); printf(" sseq = '%s'\n", lstr(stext, slength)); #endif int is_dna = -1; switch (global_alignmentType) { case GB_AT_RNA: case GB_AT_DNA: is_dna = 1; break; case GB_AT_AA: is_dna = 0; break; default: error = GB_export_error("Unknown alignment type - aligner aborted"); break; } if (!error) { error = AWTC_ClustalV_align(is_dna, 1, mtext, mlength, stext, slength, master.gapsBefore(moffset), max_seq_length, &maligned, &saligned, &len, &score); } if (!error) { #if defined(DEBUG) && 1 printf("ClustalV returns:\n"); printf(" maligned = '%s'\n", lstr(maligned, len)); printf(" saligned = '%s'\n", lstr(saligned, len)); #endif AWTC_SequencePosition masterPos(master, moffset); AWTC_SequencePosition slavePos(slaveSequence, soffset); error = insertClustalValigned(alignBuffer, masterPos, slavePos, maligned, saligned, len, report); #if (defined(DEBUG) && 0) AWTC_SequencePosition master2(master->sequence(), moffset); AWTC_SequencePosition slave2(slaveSequence, soffset); char *cmp = new char[len]; for (int l=0; lfree()) { int start = slaveSequence.expdPosition(soffset); int end = slaveSequence.expdPosition(soffset+slength-1); unaligned_bases.memorize(start, end); // int fill = start-alignBuffer->offset(); // if (fill>0) { // alignBuffer->set(GAP_CHAR, alignQuality(GAP_CHAR, GAP_CHAR), fill); // } alignBuffer->copy(slaveSequence.text(soffset), '?', slength); // '?' means not aligned (just inserted) // corrected by at alignBuffer->correctUnalignedPositions() report->count_unaligned_base(slength); } else { error = bufferTooSmall(); } } } return error; } // -------------------------------------------------------------------------------- // #define's for fast_align() // -------------------------------------------------------------------------------- #define TEST_BETTER_SCORE() \ do \ { \ if (score>bestScore) \ { \ bestScore = score; \ bestLength = masterRight.text() - masterLeft.text(); \ bestMasterLeft = masterLeft; \ bestSlaveLeft = slaveLeft; \ /*dump();*/ \ } \ } \ while (0) #define CAN_SCORE_LEFT() (masterLeft.leftOf() && slaveLeft.leftOf()) #define CAN_SCORE_RIGHT() (masterRight.rightOf() && slaveRight.rightOf()) #define SCORE_LEFT() \ do \ { \ score += *(--masterLeft).text()==*(--slaveLeft).text() ? match : mismatch; \ TEST_BETTER_SCORE(); \ } \ while (0) #define SCORE_RIGHT() \ do \ { \ score += *(++masterRight).text()==*(++slaveRight).text() ? match : mismatch; \ TEST_BETTER_SCORE(); \ } \ while (0) // -------------------------------------------------------------------------------- // AWTC_FastSearchSequence::fast_align() // -------------------------------------------------------------------------------- GB_ERROR AWTC_FastSearchSequence::fast_align(const AWTC_CompactedSubSequence& slaveSequence, AWTC_alignBuffer *alignBuffer, int max_seq_length, int match, int mismatch, AWTC_fast_align_report *report) const // // aligns 'slaveSequence' to 'this' // // returns ==NULL -> all ok -> 'alignBuffer' contains aligned sequence // !=NULL -> failure -> no results // { GB_ERROR error = NULL; int aligned = 0; // set the following #if to zero to test ClustalV-Aligner (not fast_aligner) #if 1 static double lowSignificance; static int lowSignificanceInitialized; if (!lowSignificanceInitialized) { lowSignificance = log3(0.01); //printf("lowSignificance=%f\n", lowSignificance); lowSignificanceInitialized = 1; } AWTC_SequencePosition slave(slaveSequence); long bestScore=0; AWTC_SequencePosition bestMasterLeft(sequence()); AWTC_SequencePosition bestSlaveLeft(slaveSequence); long bestLength=0; while (slave.rightOf()>=3) { // with all triples of slaveSequence AWTC_FastSearchOccurrence occurrence(*this, slave.text()); // "search" first AWTC_SequencePosition rightmostSlave = slave; while (occurrence.found()) { // with all occurrences of the triple long score = match*3; AWTC_SequencePosition masterLeft(occurrence.sequence(), occurrence.offset()); AWTC_SequencePosition masterRight(occurrence.sequence(), occurrence.offset()+3); AWTC_SequencePosition slaveLeft(slave); AWTC_SequencePosition slaveRight(slave,3); while (score>0) { if (CAN_SCORE_LEFT()) { SCORE_LEFT(); } else { while (score>0 && CAN_SCORE_RIGHT()) { SCORE_RIGHT(); } break; } if (CAN_SCORE_RIGHT()) { SCORE_RIGHT(); } else { while (score>0 && CAN_SCORE_LEFT()) { SCORE_LEFT(); } break; } } occurrence.gotoNext(); // "search" next if (rightmostSlaveslave) slave = rightmostSlave; else ++slave; } if (bestLength) { double sig = partSignificance(sequence().length(), slaveSequence.length(), bestLength); //dump(); if (sig= MIN_ALIGNMENT_RANGE && slaveLeftOf >= MIN_ALIGNMENT_RANGE) { AWTC_CompactedSubSequence leftCompactedMaster(sequence(), 0, masterLeftOf); AWTC_FastSearchSequence leftMaster(leftCompactedMaster); error = leftMaster.fast_align(AWTC_CompactedSubSequence(slaveSequence, 0, slaveLeftOf), alignBuffer, max_seq_length, match, mismatch, report); } else if (slaveLeftOf>0) { error = cannot_fast_align(sequence(), 0, masterLeftOf, slaveSequence, 0, slaveLeftOf, max_seq_length, alignBuffer, report); } aligned = 1; } // align part of slave sequence according to master sequence: if (!error) { #if (defined(DEBUG) && 0) long offset = alignBuffer->offset(); long used; #endif error = insertAligned(alignBuffer, bestMasterLeft, bestSlaveLeft, bestLength, report); #if (defined(DEBUG) && 0) used = alignBuffer->offset()-offset; printf("aligned '%s' (len=%li, address=%li)\n", lstr(alignBuffer->text()+offset, used), used, long(alignBuffer)); #endif aligned = 1; } if (!error) { if (masterRightOf >= MIN_ALIGNMENT_RANGE && slaveRightOf >= MIN_ALIGNMENT_RANGE) { AWTC_CompactedSubSequence rightCompactedMaster(sequence(), masterRightStart, masterRightOf); AWTC_FastSearchSequence rightMaster(rightCompactedMaster); error = rightMaster.fast_align(AWTC_CompactedSubSequence(slaveSequence, slaveRightStart, slaveRightOf), alignBuffer, max_seq_length, match, mismatch, report); } else if (slaveRightOf>0) { error = cannot_fast_align(sequence(), masterRightStart, masterRightOf, slaveSequence, slaveRightStart, slaveRightOf, max_seq_length, alignBuffer, report); } aligned = 1; } } else { //printf("Not significant!\n"); } } #endif if (!aligned && !error) { error = cannot_fast_align(sequence(), 0, sequence().length(), slaveSequence, 0, slaveSequence.length(), max_seq_length, alignBuffer, report); } return error; } #undef dump #undef TEST_BETTER_SCORE #undef CAN_SCORE_LEFT #undef CAN_SCORE_RIGHT #undef SCORE_LEFT #undef SCORE_RIGHT // -------------------------------------------------------------------------------- // Tools for AWTC_aligner() // -------------------------------------------------------------------------------- static long calcSequenceChecksum(const char *data, int length) { static char *gaps; if (!gaps) { gaps = (char*)malloc(257); int c = 1; int cnt = 0; while (c<256) { if (AWTC_is_gap(toupper(c))) gaps[cnt++] = c; c++; } gaps[cnt] = 0; } long sum = GB_checksum(data, length, 1, gaps); return sum; } static AWTC_CompactedSubSequence *readCompactedSequence(GBDATA *gb_species, const char *ali, GB_ERROR *errorPtr, char **dataPtr, // if dataPtr != NULL it will be set to the WHOLE uncompacted sequence long *seqChksum, // may be NULL (of part of sequence) int firstColumn, // return only part of the sequence int lastColumn) // (-1 -> till end of sequence) { GB_ERROR error = 0; GBDATA *gbd; AWTC_CompactedSubSequence *seq = 0; gbd = GBT_read_sequence(gb_species, ali); // get sequence if (gbd) { long length = GB_read_string_count(gbd); char *data = GB_read_string(gbd); long partLength; char *partData; if (dataPtr) { // make a copy of the whole uncompacted sequence (returned to caller) *dataPtr = data; } if (firstColumn!=0 || lastColumn!=-1) { // take only part of sequence awtc_assert(firstColumn>=0); awtc_assert(firstColumn<=lastColumn); // include all surrounding gaps while (firstColumn>0 && AWTC_is_gap(data[firstColumn-1])) { firstColumn--; } if (lastColumn!=-1) { while (lastColumn<(length+1) && AWTC_is_gap(data[lastColumn+1])) { lastColumn++; } } partData = data+firstColumn; int slen = length-firstColumn; awtc_assert(slen>=0); awtc_assert((size_t)slen==strlen(partData)); if (lastColumn==-1) { // take all till end of sequence partLength = slen; } else { partLength = lastColumn-firstColumn+1; if (partLength>slen) partLength = slen; // cut rest, if we have any } } else { partLength = length; partData = data; } if (!error) { if (seqChksum) { *seqChksum = calcSequenceChecksum(partData, partLength); } seq = new AWTC_CompactedSubSequence(partData, partLength, GBT_read_name(gb_species), firstColumn); } if (!dataPtr) { // free sequence only if user has not requested to get it free(data); } } else { error = GB_export_errorf("No 'data' found for species '%s'", GBT_read_name(gb_species)); if (dataPtr) *dataPtr = NULL; // (user must not care to free data if we fail) } awtc_assert(errorPtr); *errorPtr = error; return seq; } static GB_ERROR writeStringToAlignment(GBDATA *gb_species, GB_CSTR alignment, GB_CSTR data_name, GB_CSTR str, bool temporary) { GBDATA *gb_ali = GB_search(gb_species, alignment, GB_DB); GB_ERROR error = NULL; GBDATA *gb_name = GB_search(gb_ali, data_name, GB_STRING); if (gb_name) { awtc_assert(GB_check_father(gb_name, gb_ali)); error = GB_write_string(gb_name, str); if (temporary && !error) error = GB_set_temporary(gb_name); } else { error = GB_export_errorf("Cannot create entry '%s' for '%s'", data_name, GBT_read_name(gb_species)); } return error; } // -------------------------------------------------------------------------------- static GB_ERROR alignCompactedTo(AWTC_CompactedSubSequence *toAlignSequence, const AWTC_FastSearchSequence *alignTo, int max_seq_length, GB_CSTR alignment, long toAlignChksum, GBDATA *gb_toAlign, GBDATA *gb_alignTo, // may be NULL const AlignParams& ali_params) // if only part of the sequence should be aligned, then this functions already gets only the part // (i.o.w.: toAlignSequence, alignTo and toAlignChksum refer to the partial sequence) { AWTC_alignBuffer alignBuffer(max_seq_length); const char *master_name = AWTC_read_name(gb_alignTo); AWTC_fast_align_report report(master_name, ali_params.showGapsMessages); { const char *to_align_name = AWTC_read_name(gb_toAlign); const char *align_to_name = AWTC_read_name(gb_alignTo); const char *stat_buf = GBS_global_string("Aligning #%i:%i %s (to %s)", currentSequenceNumber, overallSequenceNumber, to_align_name, align_to_name); static GBDATA *last_gb_toAlign = 0; if (gb_toAlign!=last_gb_toAlign) { last_gb_toAlign = gb_toAlign; currentSequenceNumber++; } aw_status(stat_buf); } #if (defined(DEBUG) && 1) printf("alignCompactedTo(): master='%s' ", master_name); printf("slave='%s'\n", toAlignSequence->name()); #endif GB_ERROR error = GB_pop_transaction(gb_toAlign); if (!error) { if (island_hopper) { error = island_hopper->do_align(); if (!error) { awtc_assert(island_hopper->was_aligned()); #if defined(DEBUG) printf("Island-Hopper returns:\n"); printf("maligned = '%s'\n", lstr(island_hopper->get_result_ref(), island_hopper->get_result_length())); printf("saligned = '%s'\n", lstr(island_hopper->get_result(), island_hopper->get_result_length())); #endif // DEBUG AWTC_SequencePosition masterPos(alignTo->sequence(), 0); AWTC_SequencePosition slavePos(*toAlignSequence, 0); error = insertClustalValigned(&alignBuffer, masterPos, slavePos, island_hopper->get_result_ref(), island_hopper->get_result(), island_hopper->get_result_length(), &report); } } else { error = alignTo->fast_align(*toAlignSequence, &alignBuffer, max_seq_length, 2, -10, &report); // <- here we align } } if (!error) { alignBuffer.correctUnalignedPositions(); if (alignBuffer.free()) { alignBuffer.set('-', alignQuality(GAP_CHAR,GAP_CHAR), alignBuffer.free()); // rest of alignBuffer is set to '-' } alignBuffer.expandPoints(*toAlignSequence); } #if (defined(DEBUG) && 1) if (!error) { AWTC_CompactedSubSequence alignedSlave(alignBuffer.text(), alignBuffer.length(), toAlignSequence->name()); dump_n_compare("reference vs. aligned:", alignTo->sequence(), alignedSlave); } #endif { GB_ERROR err = GB_push_transaction(gb_toAlign); if (!error) error = err; } if (!error) { if (calcSequenceChecksum(alignBuffer.text(), alignBuffer.length())!=toAlignChksum) { // sequence-chksum changed error = GB_export_error("Internal aligner error (sequence checksum changed) -- aborted"); # ifdef DEBUG AWTC_CompactedSubSequence alignedSlave(alignBuffer.text(), alignBuffer.length(), toAlignSequence->name()); dump_n_compare("Old Slave vs. new Slave", *toAlignSequence, alignedSlave); # endif } else { GB_push_my_security(gb_toAlign); { GBDATA *gbd = GBT_add_data(gb_toAlign, alignment, "data", GB_STRING); if (!gbd) { error = GB_export_error("Can't find/create sequence data"); } else { if (ali_params.firstColumn!=0 || ali_params.lastColumn!=-1) { // we aligned just a part of the sequence char *buffer = GB_read_string(gbd); // so we read old sequence data long len = GB_read_string_count(gbd); if (!buffer) error = GB_await_error(); else { int lenToCopy = ali_params.lastColumn-ali_params.firstColumn+1; long wholeChksum = calcSequenceChecksum(buffer,len); // long partChksum = calcSequenceChecksum(buffer+firstColumn, lenToCopy); memcpy(buffer+ali_params.firstColumn, alignBuffer.text()+ali_params.firstColumn, lenToCopy); // copy in the aligned part if (calcSequenceChecksum(buffer, len)!=wholeChksum) { error = GB_export_error("Internal aligner error (sequence checksum changed) -- aborted"); } else { GB_write_string(gbd,""); error = GB_write_string(gbd, buffer); } } free(buffer); } else { alignBuffer.point_ends_of(); error = GBT_write_sequence(gbd, alignment, max_seq_length, alignBuffer.text()); // aligned all -> write all } } } GB_pop_my_security(gb_toAlign); // if (!error) error = err; if (!error && ali_params.report != FA_NO_REPORT) { // create temp-entry for slave containing alignment quality: error = writeStringToAlignment(gb_toAlign, alignment, QUALITY_NAME, alignBuffer.quality(), ali_params.report==FA_TEMP_REPORT); if (!error) { // create temp-entry for master containing insert points: int buflen = max_seq_length*2; char *buffer = (char*)malloc(buflen+1); char *afterLast = buffer; if (!buffer) { error = AWTC_memerr(); } else { memset(buffer, '-', buflen); buffer[buflen] = 0; const AWTC_fast_align_insertion *inserts = report.insertion(); while (inserts) { memset(buffer+inserts->offset(), '>', inserts->gaps()); afterLast = buffer+inserts->offset()+inserts->gaps(); inserts = inserts->next(); } *afterLast = 0; if (gb_alignTo) { error = writeStringToAlignment(gb_alignTo, alignment, INSERTS_NAME, buffer, ali_params.report==FA_TEMP_REPORT); } } } } } } return error; } GB_ERROR AWTC_delete_temp_entries(GBDATA *gb_species, GB_CSTR alignment) { awtc_assert(gb_species); awtc_assert(alignment); GBDATA *gb_ali = GB_search(gb_species, alignment, GB_FIND); GB_ERROR error = NULL; if (gb_ali) { GBDATA *gb_name = GB_search(gb_ali, QUALITY_NAME, GB_FIND); if (gb_name) { error = GB_delete(gb_name); #if defined(DEBUG) printf("deleted '%s' of '%s' (gb_name=%p)\n", QUALITY_NAME, GBT_read_name(gb_species), gb_name); #endif } if (!error) { gb_name = GB_search(gb_ali, INSERTS_NAME, GB_FIND); if (gb_name) { error = GB_delete(gb_name); #if defined(DEBUG) printf("deleted '%s' of '%s' (gb_name=%p)\n", INSERTS_NAME, GBT_read_name(gb_species), gb_name); #endif } } } return error; } ATTRIBUTED(__ATTR__USERESULT, static GB_ERROR GB_align_error(GB_ERROR olderr, GBDATA *gb_toAlign, GBDATA *gb_alignTo)) // used by alignTo() and alignToNextRelative() to transform errors coming from subroutines // can be used by higher functions { const char *name_toAlign = AWTC_read_name(gb_toAlign); const char *name_alignTo = AWTC_read_name(gb_alignTo); return GBS_global_string("Error while aligning '%s' to '%s':\n%s", name_toAlign, name_alignTo, olderr); } static GB_ERROR alignTo(GBDATA *gb_toAlign, GB_CSTR alignment, const AWTC_FastSearchSequence *alignTo, GBDATA *gb_alignTo, // may be NULL int max_seq_length, const AlignParams& ali_params) { GB_ERROR error = NULL; long chksum; AWTC_CompactedSubSequence *toAlignSequence = readCompactedSequence(gb_toAlign, alignment, &error, NULL, &chksum, ali_params.firstColumn, ali_params.lastColumn); if (island_hopper) { GBDATA *gb_seq = GBT_read_sequence(gb_toAlign, alignment); // get sequence if (gb_seq) { long length = GB_read_string_count(gb_seq); const char *data = GB_read_char_pntr(gb_seq); island_hopper->set_toAlign_sequence(data); island_hopper->set_alignment_length(length); } } if (!error) { error = alignCompactedTo(toAlignSequence, alignTo, max_seq_length, alignment, chksum, gb_toAlign, gb_alignTo, ali_params); if (error) error = GB_align_error(error, gb_toAlign, gb_alignTo); delete toAlignSequence; } return error; } static GB_ERROR alignToGroupConsensus(GBDATA *gb_toAlign, GB_CSTR alignment, AWTC_get_consensus_func get_consensus, int max_seq_length, const AlignParams& ali_params) { GB_ERROR error = 0; const char *species_name = AWTC_read_name(gb_toAlign); char *consensus = get_consensus(species_name, ali_params.firstColumn, ali_params.lastColumn); size_t cons_len = strlen(consensus); for (size_t i = 0; i unknown; char *currInfo; if (usedBasePositions<0) { currInfo = strdup(GBT_read_name(gb_species)); } else { awtc_assert(usedBasePositions>0); // otherwise it should NOT be announced here! currInfo = GBS_global_string_copy("%s:%i", GBT_read_name(gb_species), usedBasePositions); } char *newString = 0; if (*toString) { newString = GBS_global_string_copy("%s, %s", *toString, currInfo); } else { newString = currInfo; currInfo = 0; // dont free } freeset(*toString, newString); free(currInfo); } inline int min(int i, int j) { return inext) { if (strcmp(toAlignSequence->name(), fl->name)!=0) { if (GBT_find_species(GLOBAL_gb_main, fl->name)) { double thisScore = relSearch.fam_rel_matches ? fl->rel_matches : fl->matches; #if defined(DEBUG) // check whether family list is sorted correctly awtc_assert(lastScore < 0 || lastScore >= thisScore); lastScore = thisScore; #endif // DEBUG if (thisScore>=bestScore) bestScore = thisScore; if (next_relatives<(relativesToTest+1)) { nearestRelative[next_relatives] = strdup(fl->name); next_relatives++; } } } } } if (!error && turnAllowed != FA_TURN_NEVER) { // test if mirrored sequence has better relatives char *mirroredSequence = strdup(toAlignExpSequence); long length = strlen(mirroredSequence); double bestMirroredScore = 0; char T_or_U; error = GBT_determine_T_or_U(global_alignmentType, &T_or_U, "reverse-complement"); GBT_reverseComplementNucSequence(mirroredSequence, length, T_or_U); error = family.findFamily(relSearch.pt_server_id, mirroredSequence, relSearch.fam_oligo_len, relSearch.fam_mismatches, relSearch.fam_fast_mode, relSearch.fam_rel_matches, FF_FORWARD, relativesToTest+1); if (!error) { #if defined(DEBUG) double lastScore = -1; #endif // DEBUG for (const AWTC_FIND_FAMILY_MEMBER *fl = family.getFamilyList(); fl; fl = fl->next) { double thisScore = relSearch.fam_rel_matches ? fl->rel_matches : fl->matches; #if defined(DEBUG) // check whether family list is sorted correctly awtc_assert(lastScore < 0 || lastScore >= thisScore); lastScore = thisScore; #endif // DEBUG if (thisScore >= bestMirroredScore) { if (strcmp(toAlignSequence->name(), fl->name)!=0) { if (GBT_find_species(GLOBAL_gb_main, fl->name)) bestMirroredScore = thisScore; } } } } int turnIt = 0; if (bestMirroredScore>bestScore) { if (turnAllowed==FA_TURN_INTERACTIVE) { const char *message; if (relSearch.fam_rel_matches) { message = GBS_global_string("'%s' seems to be the other way round (score: %.1f%%, score if turned: %.1f%%)", toAlignSequence->name(), bestScore*100, bestMirroredScore*100); } else { message = GBS_global_string("'%s' seems to be the other way round (score: %li, score if turned: %li)", toAlignSequence->name(), long(bestScore+.5), long(bestMirroredScore+.5)); } turnIt = aw_question(message, "Turn sequence,Leave sequence alone")==0; } else { awtc_assert(turnAllowed == FA_TURN_ALWAYS); turnIt = 1; } } if (turnIt) { // write mirrored sequence GBDATA *gbd = GBT_read_sequence(gb_toAlign, alignment); GB_push_my_security(gbd); error = GB_write_string(gbd, mirroredSequence); GB_pop_my_security(gbd); if (!error) { delete toAlignSequence; restart = 1; // continue while loop } } free(mirroredSequence); } } free(toAlignExpSequence); } if (!error) { if (!next_relatives) { char warning[200]; sprintf(warning, "No relative found for '%s'", toAlignSequence->name()); aw_message(warning); } else { // assuming relatives are sorted! (nearest to farer) // get data pointers typedef GBDATA *GBDATAP; GBDATAP *gb_reference = new GBDATAP[relSearch.maxRelatives]; { for (i=0; irelSearch.maxRelatives) { next_relatives = relSearch.maxRelatives; } } // align if (!error) { AWTC_CompactedSubSequence *alignToSequence = readCompactedSequence(gb_reference[0], alignment, &error, NULL, NULL, ali_params.firstColumn, ali_params.lastColumn); awtc_assert(alignToSequence != 0); if (island_hopper) { GBDATA *gb_ref = GBT_read_sequence(gb_reference[0], alignment); // get reference sequence GBDATA *gb_align = GBT_read_sequence(gb_toAlign, alignment); // get sequence to align if (gb_ref && gb_align) { long length_ref = GB_read_string_count(gb_ref); // long length_align = GB_read_string_count(gb_align); const char *data; data = GB_read_char_pntr(gb_ref); island_hopper->set_ref_sequence(data); data = GB_read_char_pntr(gb_align); island_hopper->set_toAlign_sequence(data); island_hopper->set_alignment_length(length_ref); } } { AWTC_FastSearchSequence referenceFastSeq(*alignToSequence); error = alignCompactedTo(toAlignSequence, &referenceFastSeq, max_seq_length, alignment, chksum, gb_toAlign, gb_reference[0], ali_params); } if (error) { error = GB_align_error(error, gb_toAlign, gb_reference[0]); } else { char *used_relatives = 0; if (!unaligned_bases.is_empty()) { if (island_hopper) { appendNameAndUsedBasePositions(&used_relatives, gb_reference[0], -1); if (next_relatives>1) error = "Island hopping uses only one relative"; } else { UnalignedBasesList ubl; UnalignedBasesList ubl_for_next_relative; int unaligned_positions; { AWTC_CompactedSubSequence *alignedSequence = readCompactedSequence(gb_toAlign, alignment, &error, 0, 0, ali_params.firstColumn, ali_params.lastColumn); unaligned_positions = ubl.add_and_recalc_positions(&unaligned_bases, toAlignSequence, alignedSequence); // now ubl holds the unaligned (and recalculated) parts from last relative delete alignedSequence; } int toalign_positions = toAlignSequence->length(); if (unaligned_positions use default) GB_CSTR toalign, // name of species to align (used if alignWhat == FA_CURRENT) AWTC_get_first_selected_species get_first_selected_species, // used if alignWhat == FA_SELECTED AWTC_get_next_selected_species get_next_selected_species, // --- "" --- // define reference sequence(s): GB_CSTR reference, // name of reference species AWTC_get_consensus_func get_consensus, // function to get consensus seq const SearchRelativeParams& relSearch, // params to search for relatives // general params: FA_turn turnAllowed, const AlignParams& ali_params, int maxProtection) // protection level { // (reference==NULL && get_consensus==NULL -> use next relative for (each) sequence) GB_ERROR error = GB_push_transaction(GLOBAL_gb_main); int search_by_pt_server = reference==NULL && get_consensus==NULL; int err_count = 0; int wasNotAllowedToAlign = 0; // incremented for every sequence which has higher protection level (and was not aligned) awtc_assert(reference==NULL || get_consensus==NULL); // can't do both modes if (turnAllowed != FA_TURN_NEVER) { if ((ali_params.firstColumn!=0 || ali_params.lastColumn!=-1) || !search_by_pt_server) { // if not selected 'Range/Whole sequence' or not selected 'Reference/Auto search..' turnAllowed = FA_TURN_NEVER; // then disable mirroring for the actual call } } if (!error && !alignment) { alignment = (GB_CSTR)GBT_get_default_alignment(GLOBAL_gb_main); // get default alignment if (!alignment) { error = GB_export_error("No default alignment"); } } if (!error && alignment) { global_alignmentType = GBT_get_alignment_type(GLOBAL_gb_main, alignment); if (search_by_pt_server) { GB_alignment_type pt_server_alignmentType = GBT_get_alignment_type(GLOBAL_gb_main, relSearch.pt_server_alignment); if (pt_server_alignmentType != GB_AT_RNA && pt_server_alignmentType != GB_AT_DNA) { error = GB_export_error("pt_servers only support RNA/DNA sequences.\n" "In the aligner window you may specify a RNA/DNA alignment \n" "and use a pt_server build on that alignment."); } } } if (!error) { GBDATA *gb_species_data = GB_search(GLOBAL_gb_main, "species_data", GB_CREATE_CONTAINER); int max_seq_length = GBT_get_alignment_len(GLOBAL_gb_main, alignment); if (reference) { // align to reference sequence GBDATA *gb_reference = GBT_find_species_rel_species_data(gb_species_data, reference); if (!gb_reference) { error = species_not_found(reference); } else { long referenceChksum; AWTC_CompactedSubSequence *referenceSeq = readCompactedSequence(gb_reference, alignment, &error, NULL, &referenceChksum, ali_params.firstColumn, ali_params.lastColumn); if (island_hopper) { GBDATA *gb_seq = GBT_read_sequence(gb_reference, alignment); // get sequence if (gb_seq) { long length = GB_read_string_count(gb_seq); const char *data = GB_read_char_pntr(gb_seq); island_hopper->set_ref_sequence(data); island_hopper->set_alignment_length(length); } } if (!error) { AWTC_FastSearchSequence referenceFastSeq(*referenceSeq); switch (alignWhat) { case FA_CURRENT: { // align one sequence awtc_assert(toalign); GBDATA *gb_toalign = GBT_find_species_rel_species_data(gb_species_data, toalign); if (!gb_toalign) { error = species_not_found(toalign); } else { currentSequenceNumber = overallSequenceNumber = 1; int myProtection = GB_read_security_write(GBT_read_sequence(gb_toalign, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignTo(gb_toalign, alignment, &referenceFastSeq, gb_reference, max_seq_length, ali_params); } else { wasNotAllowedToAlign++; } } break; } case FA_MARKED: { // align all marked sequences int count = GBT_count_marked_species(GLOBAL_gb_main); int done = 0; GBDATA *gb_species = GBT_first_marked_species_rel_species_data(gb_species_data); currentSequenceNumber = 1; overallSequenceNumber = count; while (gb_species) { int myProtection = GB_read_security_write(GBT_read_sequence(gb_species, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignTo(gb_species, alignment, &referenceFastSeq, gb_reference, max_seq_length, ali_params); } else { wasNotAllowedToAlign++; } if (error) { aw_message(error); error = 0; err_count++; GB_abort_transaction(GLOBAL_gb_main); } else { GB_pop_transaction(GLOBAL_gb_main); } done++; GB_status(double(done)/double(count)); GB_push_transaction(GLOBAL_gb_main); gb_species = GBT_next_marked_species(gb_species); } break; } case FA_SELECTED: { // align all selected species int count; int done = 0; GBDATA *gb_species = get_first_selected_species(&count); currentSequenceNumber = 1; overallSequenceNumber = count; if (!gb_species) { aw_message("There is no selected species!"); } while (gb_species) { int myProtection = GB_read_security_write(GBT_read_sequence(gb_species, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignTo(gb_species, alignment, &referenceFastSeq, gb_reference, max_seq_length, ali_params); } else { wasNotAllowedToAlign++; } if (error) { aw_message(error); error = 0; err_count++; GB_abort_transaction(GLOBAL_gb_main); } else { GB_pop_transaction(GLOBAL_gb_main); } done++; GB_status(double(done)/double(count)); GB_push_transaction(GLOBAL_gb_main); gb_species = get_next_selected_species(); } break; } } delete referenceSeq; } } } else if (get_consensus) { // align to group consensi switch (alignWhat) { case FA_CURRENT: { // align one sequence awtc_assert(toalign); GBDATA *gb_toalign = GBT_find_species_rel_species_data(gb_species_data, toalign); currentSequenceNumber = overallSequenceNumber = 1; if (!gb_toalign) { error = species_not_found(toalign); } else { int myProtection = GB_read_security_write(GBT_read_sequence(gb_toalign, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignToGroupConsensus(gb_toalign, alignment, get_consensus, max_seq_length, ali_params); } else { wasNotAllowedToAlign++; } } break; } case FA_MARKED: { // align all marked sequences int count = GBT_count_marked_species(GLOBAL_gb_main); int done = 0; GBDATA *gb_species = GBT_first_marked_species_rel_species_data(gb_species_data); currentSequenceNumber = 1; overallSequenceNumber = count; while (gb_species) { int myProtection = GB_read_security_write(GBT_read_sequence(gb_species, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignToGroupConsensus(gb_species, alignment, get_consensus, max_seq_length, ali_params); } else { wasNotAllowedToAlign++; } if (error) { aw_message(error); error = 0; err_count++; GB_abort_transaction(GLOBAL_gb_main); } else { GB_pop_transaction(GLOBAL_gb_main); } done++; GB_status(double(done)/double(count)); GB_push_transaction(GLOBAL_gb_main); gb_species = GBT_next_marked_species(gb_species); } break; } case FA_SELECTED: { // align all selected species int count; int done = 0; GBDATA *gb_species = get_first_selected_species(&count); currentSequenceNumber = 1; overallSequenceNumber = count; if (!gb_species) { aw_message("There is no selected species!"); } while (gb_species) { int myProtection = GB_read_security_write(GBT_read_sequence(gb_species, alignment)); if (myProtection<=maxProtection) { error = alignToGroupConsensus(gb_species, alignment, get_consensus, max_seq_length, ali_params); } else { wasNotAllowedToAlign++; } if (error) { aw_message(error); error = 0; err_count++; GB_abort_transaction(GLOBAL_gb_main); } else { GB_pop_transaction(GLOBAL_gb_main); } done++; GB_status(double(done)/double(count)); GB_push_transaction(GLOBAL_gb_main); gb_species = get_next_selected_species(); } break; } } } else { // align to next relative switch (alignWhat) { case FA_CURRENT: { // align one sequence awtc_assert(toalign); GBDATA *gb_toalign = GBT_find_species_rel_species_data(gb_species_data, toalign); currentSequenceNumber = overallSequenceNumber = 1; if (!gb_toalign) { error = species_not_found(toalign); } else { int myProtection = GB_read_security_write(GBT_read_sequence(gb_toalign, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignToNextRelative(relSearch, max_seq_length, turnAllowed, alignment, gb_toalign, ali_params); } else { wasNotAllowedToAlign++; } } break; } case FA_MARKED: { // align all marked sequences int count = GBT_count_marked_species(GLOBAL_gb_main); int done = 0; GBDATA *gb_species = GBT_first_marked_species_rel_species_data(gb_species_data); currentSequenceNumber = 1; overallSequenceNumber = count; while (gb_species) { int myProtection = GB_read_security_write(GBT_read_sequence(gb_species, alignment)); error = 0; if (myProtection<=maxProtection) { error = alignToNextRelative(relSearch, max_seq_length, turnAllowed, alignment, gb_species, ali_params); } else { wasNotAllowedToAlign++; } if (error) { aw_message(error); error = 0; err_count++; GB_abort_transaction(GLOBAL_gb_main); } else { GB_pop_transaction(GLOBAL_gb_main); } done++; GB_status(double(done)/double(count)); GB_push_transaction(GLOBAL_gb_main); gb_species = GBT_next_marked_species(gb_species); } break; } case FA_SELECTED: { // align all selected species int count; int done = 0; GBDATA *gb_species = get_first_selected_species(&count); currentSequenceNumber = 1; overallSequenceNumber = count; if (!gb_species) { aw_message("There is no selected species!"); } while (gb_species) { int myProtection = GB_read_security_write(GBT_read_sequence(gb_species, alignment)); if (myProtection<=maxProtection) { error = alignToNextRelative(relSearch, max_seq_length, turnAllowed, alignment, gb_species, ali_params); } else { wasNotAllowedToAlign++; } if (error) { aw_message(error); error = 0; err_count++; GB_abort_transaction(GLOBAL_gb_main); } else { GB_pop_transaction(GLOBAL_gb_main); } done++; GB_status(double(done)/double(count)); GB_push_transaction(GLOBAL_gb_main); gb_species = get_next_selected_species(); } break; } } } } AWTC_ClustalV_align_exit(); unaligned_bases.clear(); error = GB_end_transaction(GLOBAL_gb_main, error); if (wasNotAllowedToAlign>0) { const char *mess = GB_export_errorf("%i species were not aligned (because of protection level)", wasNotAllowedToAlign); aw_popup_ok(mess); } if (err_count) { if (error) aw_message(error); error = GB_export_errorf("Aligner produced %i error%c", err_count, err_count==1 ? '\0' : 's'); } return error; } // -------------------------------------------------------------------------------- // Parameter-Window for Fast-Aligner // -------------------------------------------------------------------------------- void AWTC_start_faligning(AW_window *aw, AW_CL cd2) { AW_root *root = aw->get_root(); char *reference = NULL; // align against next relatives char *toalign = NULL; // align marked species GB_ERROR error = NULL; static struct AWTC_faligner_cd *cd = (struct AWTC_faligner_cd *)cd2; int get_consensus = 0; int pt_server_id = -1; AWTC_get_first_selected_species get_first_selected_species = 0; AWTC_get_next_selected_species get_next_selected_species = 0; awtc_assert(island_hopper == 0); if (root->awar(FA_AWAR_USE_ISLAND_HOPPING)->read_int()) { island_hopper = new IslandHopping(); if (root->awar(FA_AWAR_USE_SECONDARY)->read_int()) { if (cd->helix_string) island_hopper->set_helix(cd->helix_string); else error = "Warning: No HELIX found. Can't use secondary structure"; } if (!error) { island_hopper->set_parameters(root->awar(FA_AWAR_ESTIMATE_BASE_FREQ)->read_int(), root->awar(FA_AWAR_BASE_FREQ_T)->read_float(), root->awar(FA_AWAR_BASE_FREQ_C)->read_float(), root->awar(FA_AWAR_BASE_FREQ_A)->read_float(), root->awar(FA_AWAR_BASE_FREQ_C)->read_float(), root->awar(FA_AWAR_SUBST_PARA_CT)->read_float(), root->awar(FA_AWAR_SUBST_PARA_AT)->read_float(), root->awar(FA_AWAR_SUBST_PARA_GT)->read_float(), root->awar(FA_AWAR_SUBST_PARA_AC)->read_float(), root->awar(FA_AWAR_SUBST_PARA_CG)->read_float(), root->awar(FA_AWAR_SUBST_PARA_AG)->read_float(), root->awar(FA_AWAR_EXPECTED_DISTANCE)->read_float(), root->awar(FA_AWAR_STRUCTURE_SUPPLEMENT)->read_float(), root->awar(FA_AWAR_GAP_A)->read_float(), root->awar(FA_AWAR_GAP_B)->read_float(), root->awar(FA_AWAR_GAP_C)->read_float(), root->awar(FA_AWAR_THRESHOLD)->read_float() ); } } FA_alignTarget alignWhat = static_cast(root->awar(FA_AWAR_TO_ALIGN)->read_int()); if (!error) { switch (alignWhat) { case FA_CURRENT: { // align current species toalign = root->awar(AWAR_SPECIES_NAME)->read_string(); break; } case FA_MARKED: { // align marked species break; } case FA_SELECTED: { // align selected species get_first_selected_species = cd->get_first_selected_species; get_next_selected_species = cd->get_next_selected_species; break; } default: { awtc_assert(0); break; } } switch (static_cast(root->awar(FA_AWAR_REFERENCE)->read_int())) { case FA_REF_EXPLICIT: // align against specified species reference = root->awar(FA_AWAR_REFERENCE_NAME)->read_string(); break; case FA_REF_CONSENSUS: // align against group consensus if (cd->get_group_consensus) { get_consensus = 1; } else { error = "Can't get group consensus here."; } break; case FA_REF_RELATIVES: // align against species searched via pt_server pt_server_id = root->awar(AWAR_PT_SERVER)->read_int(); if (pt_server_id<0) { error = "No pt_server selected"; } break; default: awtc_assert(0); break; } } int firstColumn = 0; int lastColumn = -1; if (!error) { switch (static_cast(root->awar(FA_AWAR_RANGE)->read_int())) { case FA_WHOLE_SEQUENCE: break; case FA_AROUND_CURSOR: { int curpos = root->awar(AWAR_CURSOR_POSITION_LOCAL)->read_int(); int size = root->awar(FA_AWAR_AROUND)->read_int(); if ((curpos-size)>0) firstColumn = curpos-size; lastColumn = curpos+size; break; } case FA_SELECTED_RANGE: { if (!cd->get_selected_range(&firstColumn, &lastColumn)) { error = "There is no selected species!"; } #ifdef DEBUG else { printf("Selected range: %i .. %i\n", firstColumn, lastColumn); } #endif break; } default: { awtc_assert(0); break; } } } if (!error) { char *editor_alignment = 0; { GB_transaction dummy(GLOBAL_gb_main); char *default_alignment = GBT_get_default_alignment(GLOBAL_gb_main); editor_alignment = root->awar_string(AWAR_EDITOR_ALIGNMENT, default_alignment)->read_string(); free(default_alignment); } char *pt_server_alignment = root->awar(FA_AWAR_PT_SERVER_ALIGNMENT)->read_string(); if (island_hopper) { island_hopper->set_range(firstColumn, lastColumn); firstColumn = 0; lastColumn = -1; } struct SearchRelativeParams relSearch = { pt_server_id, pt_server_alignment, root->awar(FA_AWAR_NEXT_RELATIVES)->read_int(), root->awar(AWAR_NN_OLIGO_LEN)->read_int(), root->awar(AWAR_NN_MISMATCHES)->read_int(), root->awar(AWAR_NN_FAST_MODE)->read_int(), root->awar(AWAR_NN_REL_MATCHES)->read_int(), }; struct AlignParams ali_params = { static_cast(root->awar(FA_AWAR_REPORT)->read_int()), root->awar(FA_AWAR_SHOW_GAPS_MESSAGES)->read_int(), firstColumn, lastColumn, }; { GB_transaction ta(GLOBAL_gb_main); aw_openstatus("FastAligner"); error = AWTC_aligner( alignWhat, editor_alignment, toalign, get_first_selected_species, get_next_selected_species, reference, get_consensus ? cd->get_group_consensus : NULL, relSearch, static_cast(root->awar(FA_AWAR_MIRROR)->read_int()), ali_params, root->awar(FA_AWAR_PROTECTION)->read_int() ); aw_closestatus(); error = ta.close(error); } free(pt_server_alignment); free(editor_alignment); } if (island_hopper) { delete island_hopper; island_hopper = 0; } if (toalign) free(toalign); if (error) aw_message(error); if (cd->do_refresh) cd->refresh_display(); } void AWTC_create_faligner_variables(AW_root *root,AW_default db1) { root->awar_string(FA_AWAR_REFERENCE_NAME, "", db1); root->awar_int(FA_AWAR_TO_ALIGN, FA_CURRENT, db1); root->awar_int(FA_AWAR_REFERENCE, FA_REF_CONSENSUS, db1); root->awar_int(FA_AWAR_RANGE, FA_WHOLE_SEQUENCE, db1); #if defined(DEVEL_RALF) root->awar_int(FA_AWAR_PROTECTION, 0, db1)->write_int(6); #else root->awar_int(FA_AWAR_PROTECTION, 0, db1)->write_int(0); #endif root->awar_int(FA_AWAR_AROUND, 25, db1); root->awar_int(FA_AWAR_MIRROR, FA_TURN_INTERACTIVE, db1); root->awar_int(FA_AWAR_REPORT, FA_NO_REPORT, db1); root->awar_int(FA_AWAR_SHOW_GAPS_MESSAGES, 1, db1); root->awar_int(FA_AWAR_USE_SECONDARY, 0, db1); root->awar_int(AWAR_PT_SERVER, 0, db1); root->awar_int(FA_AWAR_NEXT_RELATIVES, 1, db1)->set_minmax(1,100); root->awar_string(FA_AWAR_PT_SERVER_ALIGNMENT, root->awar(AWAR_DEFAULT_ALIGNMENT)->read_char_pntr(), db1); // island hopping: root->awar_int(FA_AWAR_USE_ISLAND_HOPPING, 0, db1); root->awar_int(FA_AWAR_ESTIMATE_BASE_FREQ, 1, db1); root->awar_float(FA_AWAR_BASE_FREQ_A, 0.25, db1); root->awar_float(FA_AWAR_BASE_FREQ_C, 0.25, db1); root->awar_float(FA_AWAR_BASE_FREQ_G, 0.25, db1); root->awar_float(FA_AWAR_BASE_FREQ_T, 0.25, db1); root->awar_float(FA_AWAR_SUBST_PARA_AC, 1.0, db1); root->awar_float(FA_AWAR_SUBST_PARA_AG, 4.0, db1); root->awar_float(FA_AWAR_SUBST_PARA_AT, 1.0, db1); root->awar_float(FA_AWAR_SUBST_PARA_CG, 1.0, db1); root->awar_float(FA_AWAR_SUBST_PARA_CT, 4.0, db1); root->awar_float(FA_AWAR_SUBST_PARA_GT, 1.0, db1); root->awar_float(FA_AWAR_EXPECTED_DISTANCE, 0.3, db1); root->awar_float(FA_AWAR_STRUCTURE_SUPPLEMENT, 0.5, db1); root->awar_float(FA_AWAR_THRESHOLD, 0.005, db1); root->awar_float(FA_AWAR_GAP_A, 8.0, db1); root->awar_float(FA_AWAR_GAP_B, 4.0, db1); root->awar_float(FA_AWAR_GAP_C, 7.0, db1); AWTC_create_common_next_neighbour_vars(root); } void AWTC_awar_set_current_sequence(AW_root *root, AW_default db1) { root->awar_int(FA_AWAR_TO_ALIGN, FA_CURRENT, db1); } // sets the aligner reference species to current species void AWTC_set_reference_species_name(AW_window */*aww*/, AW_CL cl_AW_root) { AW_root *root = (AW_root*)cl_AW_root; char *specName = root->awar(AWAR_SPECIES_NAME)->read_string(); root->awar(FA_AWAR_REFERENCE_NAME)->write_string(specName); free(specName); } AW_window *AWTC_create_island_hopping_window(AW_root *root, AW_CL ) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "ISLAND_HOPPING_PARA", "Parameters for Island Hopping"); aws->load_xfig("awtc/islandhopping.fig"); aws->at( "close" ); aws->callback ( (AW_CB0)AW_POPDOWN ); aws->create_button( "CLOSE", "CLOSE", "O" ); aws->at( "help" ); aws->callback ( AW_POPUP_HELP, (AW_CL) "islandhopping.hlp" ); aws->create_button( "HELP", "HELP" ); aws->at("use_secondary"); aws->label("Use secondary structure (only for re-align)"); aws->create_toggle(FA_AWAR_USE_SECONDARY); aws->at("freq"); aws->create_toggle_field(FA_AWAR_ESTIMATE_BASE_FREQ,"Base freq.","B"); aws->insert_default_toggle("Estimate","E",1); aws->insert_toggle("Define here: ","D",0); aws->update_toggle_field(); aws->at("freq_a"); aws->label("A:"); aws->create_input_field(FA_AWAR_BASE_FREQ_A, 4); aws->at("freq_c"); aws->label("C:"); aws->create_input_field(FA_AWAR_BASE_FREQ_C, 4); aws->at("freq_g"); aws->label("G:"); aws->create_input_field(FA_AWAR_BASE_FREQ_G, 4); aws->at("freq_t"); aws->label("T:"); aws->create_input_field(FA_AWAR_BASE_FREQ_T, 4); int xpos[4], ypos[4]; { aws->button_length(1); int dummy; aws->at("h_a"); aws->get_at_position(&xpos[0], &dummy); aws->create_button("A","A"); aws->at("h_c"); aws->get_at_position(&xpos[1], &dummy); aws->create_button("C","C"); aws->at("h_g"); aws->get_at_position(&xpos[2], &dummy); aws->create_button("G","G"); aws->at("h_t"); aws->get_at_position(&xpos[3], &dummy); aws->create_button("T","T"); aws->at("v_a"); aws->get_at_position(&dummy, &ypos[0] ); aws->create_button("A","A"); aws->at("v_c"); aws->get_at_position(&dummy, &ypos[1] ); aws->create_button("C","C"); aws->at("v_g"); aws->get_at_position(&dummy, &ypos[2] ); aws->create_button("G","G"); aws->at("v_t"); aws->get_at_position(&dummy, &ypos[3] ); aws->create_button("T","T"); } aws->at("subst"); aws->create_button("subst_para", "Substitution rate parameters:"); #define XOFF -25 #define YOFF 0 aws->at(xpos[1]+XOFF, ypos[0]+YOFF); aws->create_input_field(FA_AWAR_SUBST_PARA_AC, 4); aws->at(xpos[2]+XOFF, ypos[0]+YOFF); aws->create_input_field(FA_AWAR_SUBST_PARA_AG, 4); aws->at(xpos[3]+XOFF, ypos[0]+YOFF); aws->create_input_field(FA_AWAR_SUBST_PARA_AT, 4); aws->at(xpos[2]+XOFF, ypos[1]+YOFF); aws->create_input_field(FA_AWAR_SUBST_PARA_CG, 4); aws->at(xpos[3]+XOFF, ypos[1]+YOFF); aws->create_input_field(FA_AWAR_SUBST_PARA_CT, 4); aws->at(xpos[3]+XOFF, ypos[2]+YOFF); aws->create_input_field(FA_AWAR_SUBST_PARA_GT, 4); #undef XOFF #undef YOFF aws->label_length(22); aws->at("dist"); aws->label("Expected distance"); aws->create_input_field(FA_AWAR_EXPECTED_DISTANCE, 5); aws->at("supp"); aws->label("Structure supplement"); aws->create_input_field(FA_AWAR_STRUCTURE_SUPPLEMENT, 5); aws->at("thres"); aws->label("Threshold"); aws->create_input_field(FA_AWAR_THRESHOLD, 5); aws->label_length(10); aws->at("gapA"); aws->label("Gap A"); aws->create_input_field(FA_AWAR_GAP_A, 5); aws->at("gapB"); aws->label("Gap B"); aws->create_input_field(FA_AWAR_GAP_B, 5); aws->at("gapC"); aws->label("Gap C"); aws->create_input_field(FA_AWAR_GAP_C, 5); return (AW_window *)aws; } AW_window *AWTC_create_family_settings_window(AW_root *root) { static AW_window_simple *aws = 0; if (!aws) { aws = new AW_window_simple; aws->init(root, "FAMILY_PARAMS", "Family search paramaters"); aws->load_xfig("awtc/family_settings.fig"); aws->at( "close" ); aws->callback ( (AW_CB0)AW_POPDOWN ); aws->create_button( "CLOSE", "CLOSE", "O" ); aws->at( "help" ); aws->callback ( AW_POPUP_HELP, (AW_CL) "next_neighbours_common.hlp" ); aws->create_button( "HELP", "HELP" ); AWTC_create_common_next_neighbour_fields(aws); } return aws; } AW_window *AWTC_create_faligner_window(AW_root *root, AW_CL cd2) { AW_window_simple *aws = new AW_window_simple; aws->init( root, "INTEGRATED_ALIGNERS", INTEGRATED_ALIGNERS_TITLE); aws->load_xfig("awtc/faligner.fig"); aws->label_length( 10 ); aws->button_length( 10 ); aws->at( "close" ); aws->callback ( (AW_CB0)AW_POPDOWN ); aws->create_button( "CLOSE", "CLOSE", "O" ); aws->at( "help" ); aws->callback ( AW_POPUP_HELP, (AW_CL) "faligner.hlp" ); aws->create_button( "HELP", "HELP" ); aws->at("aligner"); aws->create_toggle_field(FA_AWAR_USE_ISLAND_HOPPING,"Aligner","A"); aws->insert_default_toggle("Fast aligner", "F", 0); aws->sens_mask(AWM_EXP); aws->insert_toggle ("Island Hopping", "I", 1); aws->sens_mask(AWM_ALL); aws->update_toggle_field(); aws->button_length(12); aws->at("island_para"); aws->callback(AW_POPUP, (AW_CL)AWTC_create_island_hopping_window, (AW_CL)0); aws->sens_mask(AWM_EXP); aws->create_button("island_para", "Parameters", ""); aws->sens_mask(AWM_ALL); aws->button_length(10); aws->at( "rev_compl" ); aws->callback(AWTC_build_reverse_complement, cd2); aws->create_button( "reverse_complement", "Turn now!", ""); aws->at("what"); aws->create_toggle_field(FA_AWAR_TO_ALIGN,"Align what?","A"); aws->insert_toggle ("Current Species:", "A", FA_CURRENT); aws->insert_default_toggle("Marked Species", "M", FA_MARKED); aws->insert_toggle ("Selected Species", "S", FA_SELECTED); aws->update_toggle_field(); aws->at( "swhat" ); aws->create_input_field( AWAR_SPECIES_NAME, 2); aws->at("against"); aws->create_toggle_field(FA_AWAR_REFERENCE,"Reference",""); aws->insert_toggle ("Species by name:", "S", FA_REF_EXPLICIT); aws->insert_toggle ("Group consensus", "K", FA_REF_CONSENSUS); aws->insert_default_toggle("Auto search by pt_server:", "A", FA_REF_RELATIVES); aws->update_toggle_field(); aws->at( "sagainst" ); aws->create_input_field(FA_AWAR_REFERENCE_NAME, 2); aws->at("copy"); aws->callback(AWTC_set_reference_species_name, (AW_CL)root); aws->create_button("Copy", "Copy", ""); aws->label_length(0); aws->at( "pt_server" ); awt_create_selection_list_on_pt_servers(aws, AWAR_PT_SERVER, true); aws->at("use_ali"); aws->create_input_field(FA_AWAR_PT_SERVER_ALIGNMENT, 15); aws->at("relatives"); aws->label("Number of relatives to use:"); aws->create_input_field(FA_AWAR_NEXT_RELATIVES, 3); aws->at("relSett"); aws->callback(AW_POPUP, (AW_CL)AWTC_create_family_settings_window, (AW_CL)root); aws->create_button("Settings", "Settings", ""); // Range aws->label_length( 10 ); aws->at("range"); aws->create_toggle_field(FA_AWAR_RANGE, "Range", ""); aws->insert_default_toggle("Whole sequence", "", FA_WHOLE_SEQUENCE); aws->insert_toggle ("Positions around cursor: ", "", FA_AROUND_CURSOR); aws->insert_toggle ("Selected Range", "", FA_SELECTED_RANGE); aws->update_toggle_field(); aws->at("around"); aws->create_input_field(FA_AWAR_AROUND, 2); aws->at("protection"); aws->create_option_menu(FA_AWAR_PROTECTION, "Protection", ""); aws->insert_default_option("0", 0, 0); aws->insert_option("1", 0, 1); aws->insert_option("2", 0, 2); aws->insert_option("3", 0, 3); aws->insert_option("4", 0, 4); aws->insert_option("5", 0, 5); aws->insert_option("6", 0, 6); aws->update_option_menu(); // MirrorCheck aws->at("mirror"); aws->create_option_menu(FA_AWAR_MIRROR, "Turn check", ""); aws->insert_option ("Never turn sequence", "", FA_TURN_NEVER); aws->insert_default_option("User acknowledgment", "", FA_TURN_INTERACTIVE); aws->insert_option ("Automatically turn sequence", "", FA_TURN_ALWAYS); aws->update_option_menu(); // Report aws->at("insert"); aws->create_option_menu(FA_AWAR_REPORT, "Report", ""); aws->insert_option ("No report", "", FA_NO_REPORT); aws->sens_mask(AWM_EXP); aws->insert_default_option("Report to temporary entries", "", FA_TEMP_REPORT); aws->insert_option ("Report to resident entries", "", FA_REPORT); aws->sens_mask(AWM_ALL); aws->update_option_menu(); aws->at("gaps"); aws->create_toggle(FA_AWAR_SHOW_GAPS_MESSAGES); aws->at( "align" ); aws->callback ( AWTC_start_faligning, cd2); aws->highlight(); aws->create_button( "GO", "GO", "G"); return (AW_window *)aws; } ./arbsrc_9167/SL/FAST_ALIGNER/fast_aligner.hxx0000644012664100000130000000431511440743001020537 0ustar arb_buildcoders// =========================================================== // // // // File : fast_aligner.hxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in 1998 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef FAST_ALIGNER_HXX #define FAST_ALIGNER_HXX #define INTEGRATED_ALIGNERS_TITLE "Integrated Aligners" typedef char* (*AWTC_get_consensus_func)(const char *species_name, int start_pos, int end_pos); typedef int (*AWTC_get_selected_range)(int *firstColumn, int *lastColumn); typedef GBDATA* (*AWTC_get_first_selected_species)(int *total_no_of_selected_species); typedef GBDATA* (*AWTC_get_next_selected_species)(void); struct AWTC_faligner_cd { int do_refresh; // if do_refresh==TRUE then AWTC_start_faligning() does a refresh void (*refresh_display)(); // via calling refresh_display() AWTC_get_consensus_func get_group_consensus; AWTC_get_selected_range get_selected_range; AWTC_get_first_selected_species get_first_selected_species; AWTC_get_next_selected_species get_next_selected_species; char *helix_string; // currently only used for island hopping }; // -------------------------------------------------------------------------------- AW_window *AWTC_create_faligner_window(AW_root *awr, AW_CL cd2); void AWTC_create_faligner_variables(AW_root *root,AW_default db1); void AWTC_awar_set_current_sequence(AW_root *root, AW_default db1); void AWTC_set_reference_species_name(AW_window */*aww*/, AW_CL cl_AW_root); void AWTC_start_faligning(AW_window *aw, AW_CL cd2); GB_ERROR AWTC_delete_temp_entries(GBDATA *gb_main, GB_CSTR alignment); // -------------------------------------------------------------------------------- #else #error fast_aligner.hxx included twice #endif // FAST_ALIGNER_HXX ./arbsrc_9167/SL/FAST_ALIGNER/Makefile0000644012664100000130000000427611440743001017016 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = $(subst .cxx,.o,$(wildcard *.cxx)) OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ClustalV.o: ClustalV.hxx ClustalV.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ClustalV.o: $(ARBHOME)/INCLUDE/ad_prot.h ClustalV.o: $(ARBHOME)/INCLUDE/arb_assert.h ClustalV.o: $(ARBHOME)/INCLUDE/arbdb.h ClustalV.o: $(ARBHOME)/INCLUDE/arbdb_base.h ClustalV.o: $(ARBHOME)/INCLUDE/attributes.h ClustalV.o: $(ARBHOME)/INCLUDE/aw_root.hxx ClustalV.o: $(ARBHOME)/INCLUDE/awtc_seq_search.hxx fast_aligner.o: ClustalV.hxx fast_aligner.o: fast_aligner.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/ad_k_prot.h fast_aligner.o: $(ARBHOME)/INCLUDE/ad_prot.h fast_aligner.o: $(ARBHOME)/INCLUDE/ad_t_prot.h fast_aligner.o: $(ARBHOME)/INCLUDE/arb_assert.h fast_aligner.o: $(ARBHOME)/INCLUDE/arbdb.h fast_aligner.o: $(ARBHOME)/INCLUDE/arbdb_base.h fast_aligner.o: $(ARBHOME)/INCLUDE/arbdbt.h fast_aligner.o: $(ARBHOME)/INCLUDE/attributes.h fast_aligner.o: $(ARBHOME)/INCLUDE/aw_awars.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/aw_device.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/aw_position.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/aw_root.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/aw_window.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/awt.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/awtc_next_neighbours.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/awtc_seq_search.hxx fast_aligner.o: $(ARBHOME)/INCLUDE/island_hopping.h ./arbsrc_9167/SL/FILE_BUFFER/FileBuffer.cxx0000644012664100000130000001113211440743001017752 0ustar arb_buildcoders// ================================================================ // // // // File : FileBuffer.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2006 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ================================================================ // #include "FileBuffer.h" #include #include #include #include using namespace std; void FileBuffer::fillBuffer() { if (read==BUFFERSIZE) { read = fread(buf, sizeof(buf[0]), BUFFERSIZE, fp); offset = 0; } else { offset = read; } } static char eol[3] = "\n\r"; static inline bool is_EOL(char c) { return c == eol[0] || c == eol[1]; } bool FileBuffer::getLine_intern(string& line) { if (offset==read) return false; size_t lineEnd; { size_t rest = read-offset; char *eolPos = (char*)memchr(buf+offset, eol[0], rest); if (!eolPos) { eolPos = (char*)memchr(buf+offset, eol[1], rest); if (!eolPos) { lineEnd = read; } else { swap(eol[0], eol[1]); lineEnd = eolPos-buf; } } else { lineEnd = eolPos-buf; if (lineEnd>0 && buf[lineEnd-1] == eol[1]) { swap(eol[0], eol[1]); lineEnd--; } } } if (lineEndallocated) { allocated = len; free(buffer); buffer = (char*)malloc(allocated); } if (showFilename) { #if defined(DEBUG) int printed = #endif // DEBUG sprintf(buffer, "while reading %s (line #%li):\n%s", filename.c_str(), lineNumber, msg); fb_assert((size_t)printed < allocated); } else { #if defined(DEBUG) int printed = #endif // DEBUG sprintf(buffer, "while reading line #%li:\n%s", lineNumber, msg); fb_assert((size_t)printed < allocated); } return buffer; } void FileBuffer::rewind() { errno = 0; std::rewind(fp); fb_assert(errno == 0); // not handled yet read = BUFFERSIZE; fillBuffer(); if (next_line) { delete next_line; next_line = 0; } lineNumber = 0; } // -------------------------------------------------------------------------------- // C interface inline FileBuffer *to_FileBuffer(FILE_BUFFER fb) { FileBuffer *fileBuffer = reinterpret_cast(fb); fb_assert(fileBuffer); fb_assert(fileBuffer->good()); return fileBuffer; } extern "C" FILE_BUFFER create_FILE_BUFFER(const char *filename, FILE *in) { FileBuffer *fb = new FileBuffer(filename, in); return reinterpret_cast(fb); } extern "C" void destroy_FILE_BUFFER(FILE_BUFFER file_buffer) { delete to_FileBuffer(file_buffer); } extern "C" const char *FILE_BUFFER_read(FILE_BUFFER file_buffer, size_t *lengthPtr) { static string line; if (to_FileBuffer(file_buffer)->getLine(line)) { if (lengthPtr) *lengthPtr = line.length(); return line.c_str(); } return 0; } extern "C" void FILE_BUFFER_back(FILE_BUFFER file_buffer, const char *backline) { static string line; line = backline; to_FileBuffer(file_buffer)->backLine(line); } extern "C" void FILE_BUFFER_rewind(FILE_BUFFER file_buffer) { to_FileBuffer(file_buffer)->rewind(); } ./arbsrc_9167/SL/FILE_BUFFER/FileBuffer.h0000644012664100000130000000633711440743001017412 0ustar arb_buildcoders///////////////////////////////////////////////////////////////////////////// // // Copyright (C) 2000 // Ralf Westram // // Permission to use, copy, modify, distribute and sell this software // and its documentation for any purpose is hereby granted without fee, // provided that the above copyright notice appear in all copies and // that both that copyright notice and this permission notice appear // in supporting documentation. Ralf Westram makes no // representations about the suitability of this software for any // purpose. It is provided "as is" without express or implied warranty. // ///////////////////////////////////////////////////////////////////////////// #ifndef FILEBUFFER_H #define FILEBUFFER_H #ifndef _STDIO_H #include #endif // -------------------------------------------------------------------------------- // c-interface struct ClassFileBuffer; typedef struct ClassFileBuffer *FILE_BUFFER; #ifdef __cplusplus extern "C" { #endif FILE_BUFFER create_FILE_BUFFER(const char *filename, FILE *in); void destroy_FILE_BUFFER(FILE_BUFFER file_buffer); const char *FILE_BUFFER_read(FILE_BUFFER file_buffer, size_t *lengthPtr); void FILE_BUFFER_back(FILE_BUFFER file_buffer, const char *backline); void FILE_BUFFER_rewind(FILE_BUFFER file_buffer); #ifdef __cplusplus } #endif // -------------------------------------------------------------------------------- // c++-interface #ifdef __cplusplus #ifndef ARBTOOLS_H #include #endif #ifndef _CPP_STRING #include #endif #ifndef ARB_ASSERT_H #include #endif #define fb_assert(cond) arb_assert(cond) using std::string; const size_t BUFFERSIZE = 64*1024; class FileBuffer : Noncopyable { private: char buf[BUFFERSIZE]; size_t read; // chars in buf size_t offset; // offset to next line FILE *fp; string *next_line; long lineNumber; // current line number string filename; bool showFilename; void fillBuffer(); bool getLine_intern(string& line); public: FileBuffer(const string& filename_, FILE *in) { filename = filename_; fp = in; showFilename = true; fb_assert(fp); read = BUFFERSIZE; fillBuffer(); next_line = 0; lineNumber = 0; } ~FileBuffer() { delete next_line; if (fp) fclose(fp); } bool good() { return fp!=0; } bool getLine(string& line) { lineNumber++; if (next_line) { line = *next_line; delete next_line; next_line = 0; return true; } return getLine_intern(line); } long getLineNumber() const { return lineNumber; } void backLine(const string& line) { // push line back fb_assert(next_line==0); next_line = new string(line); lineNumber--; } void rewind(); const string& getFilename() const { return filename; } void showFilenameInLineError(bool show) { showFilename = show; } string lineError(const char *msg); string lineError(const string& msg) { return lineError(msg.c_str()); } }; #endif // __cplusplus #else #error FileBuffer.h included twice #endif // FILEBUFFER_H ./arbsrc_9167/SL/FILE_BUFFER/Makefile0000644012664100000130000000156511213220015016657 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = \ FileBuffer.o \ OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl FileBuffer.o: FileBuffer.h ./arbsrc_9167/SL/HELIX/BI_helix.cxx0000644012664100000130000003216111440743001016532 0ustar arb_buildcoders#include #include #include #include // #include #include #include #include "BI_helix.hxx" #define LEFT_HELIX "{[<(" #define RIGHT_HELIX "}]>)" #define LEFT_NONS "#*abcdefghij" #define RIGHT_NONS "#*ABCDEFGHIJ" char *BI_helix::helix_error = 0; struct helix_stack { struct helix_stack *next; long pos; BI_PAIR_TYPE type; char c; }; void BI_helix::_init(void) { int i; for (i=0;ic, key, stack->pos)); } return val; } long BI_helix_free_hash(const char *, long val, void *) { struct helix_stack *stack = (struct helix_stack *)val; struct helix_stack *next; for ( ; stack; stack = next) { next = stack->next; delete stack; } return 0; } const char *BI_helix::initFromData(const char *helix_nr_in, const char *helix_in, size_t sizei) /* helix_nr string of helix identifiers helix helix size alignment len */ { clear_error(); GB_HASH *hash = GBS_create_hash(256, GB_IGNORE_CASE); size_t pos; char c; char ident[256]; char *sident; struct helix_stack *laststack = 0,*stack; Size = sizei; char *helix = 0; { size_t len = strlen(helix_in); if (len > Size) len = Size; char *h = (char *)malloc(Size+1); h[Size] = 0; if (len Size) len = (int)Size; char *h = (char *)malloc((int)Size+1); h[Size] = 0; if (lenpos_scanned_till && isalnum(helix_nr[pos])) { for (int j=0; (pos+j)next = laststack; stack->pos = pos; stack->c = c; GBS_write_hash(hash,ident,(long)stack); } else if (strchr(RIGHT_HELIX,c) || strchr(RIGHT_NONS,c) ){ // pop stack = (struct helix_stack *)GBS_read_hash(hash,ident); if (!stack) { bi_assert(!helix_error); // already have an error helix_error = GBS_global_string_copy("Too many '%c' in Helix '%s' pos %zu", c, ident, pos); goto helix_end; } if (strchr(RIGHT_HELIX,c)) { entries[pos].pair_type = HELIX_PAIR; entries[stack->pos].pair_type = HELIX_PAIR; }else{ c = tolower(c); if (stack->c != c) { bi_assert(!helix_error); // already have an error helix_error = GBS_global_string_copy("Character '%c' pos %li doesn't match character '%c' pos %zu in Helix '%s'", stack->c, stack->pos, c, pos, ident); goto helix_end; } if (isalpha(c)) { entries[pos].pair_type = (BI_PAIR_TYPE)(HELIX_NON_STANDARD0+c-'a'); entries[stack->pos].pair_type = (BI_PAIR_TYPE)(HELIX_NON_STANDARD0+c-'a'); }else{ entries[pos].pair_type = HELIX_NO_PAIR; entries[stack->pos].pair_type = HELIX_NO_PAIR; } } entries[pos].pair_pos = stack->pos; entries[stack->pos].pair_pos = pos; GBS_write_hash(hash,ident,(long)stack->next); if (sident == 0 || strcmp(sident+1,ident) != 0) { sident = (char*)malloc(strlen(ident)+2); sprintf(sident,"-%s",ident); entries[stack->pos].allocated = true; } entries[pos].helix_nr = sident+1; entries[stack->pos].helix_nr = sident; bi_assert((long)pos != stack->pos); delete stack; } } GBS_hash_do_loop(hash, BI_helix_check_error, NULL); helix_end: GBS_hash_do_loop(hash, BI_helix_free_hash, NULL); GBS_free_hash(hash); free(helix_nr); free(helix); return get_error(); } const char *BI_helix::init(GBDATA *gb_helix_nr, GBDATA *gb_helix, size_t sizei) { clear_error(); if (!gb_helix) set_error("Can't find SAI:HELIX"); else if (!gb_helix_nr) set_error("Can't find SAI:HELIX_NR"); else { GB_transaction ta(gb_helix); initFromData(GB_read_char_pntr(gb_helix_nr), GB_read_char_pntr(gb_helix), sizei); } return get_error(); } const char *BI_helix::init(GBDATA *gb_main, const char *alignment_name, const char *helix_nr_name, const char *helix_name) { GB_transaction ta(gb_main); clear_error(); GBDATA *gb_sai_data = GBT_get_SAI_data(gb_main); long size2 = GBT_get_alignment_len(gb_main,alignment_name); if (size2<=0) set_error(GB_await_error()); else { GBDATA *gb_helix_nr_con = GBT_find_SAI_rel_SAI_data(gb_sai_data, helix_nr_name); GBDATA *gb_helix_con = GBT_find_SAI_rel_SAI_data(gb_sai_data, helix_name); GBDATA *gb_helix = 0; GBDATA *gb_helix_nr = 0; if (gb_helix_nr_con) gb_helix_nr = GBT_read_sequence(gb_helix_nr_con,alignment_name); if (gb_helix_con) gb_helix = GBT_read_sequence(gb_helix_con,alignment_name); init(gb_helix_nr, gb_helix, size2); } return get_error(); } const char *BI_helix::init(GBDATA *gb_main, const char *alignment_name) { GB_transaction ta(gb_main); char *helix = GBT_get_default_helix(gb_main); char *helix_nr = GBT_get_default_helix_nr(gb_main); const char *err = init(gb_main, alignment_name, helix_nr, helix); free(helix); free(helix_nr); return err; } const char *BI_helix::init(GBDATA *gb_main) { GB_transaction ta(gb_main); char *alignment_name = GBT_get_default_alignment(gb_main); const char *err = init(gb_main, alignment_name); free(alignment_name); return err; } bool BI_helix::is_pairtype(char left, char right, BI_PAIR_TYPE pair_type) { int len = strlen(pairs[pair_type])-1; char *pai = pairs[pair_type]; for (int i=0; i #endif #define bi_assert(bed) arb_assert(bed) #ifndef _CPP_CSTDLIB #include #endif #ifndef _CPP_CSTDIO #include #endif #ifndef _CPP_CSTRING #include #endif #ifndef ARBDB_H #include #endif typedef enum { HELIX_NONE, // used in entries HELIX_STRONG_PAIR, HELIX_PAIR, // used in entries HELIX_WEAK_PAIR, HELIX_NO_PAIR, // used in entries HELIX_USER0, HELIX_USER1, HELIX_USER2, HELIX_USER3, HELIX_DEFAULT, HELIX_NON_STANDARD0, // used in entries HELIX_NON_STANDARD1, // used in entries HELIX_NON_STANDARD2, // used in entries HELIX_NON_STANDARD3, // used in entries HELIX_NON_STANDARD4, // used in entries HELIX_NON_STANDARD5, // used in entries HELIX_NON_STANDARD6, // used in entries HELIX_NON_STANDARD7, // used in entries HELIX_NON_STANDARD8, // used in entries HELIX_NON_STANDARD9, // used in entries HELIX_NO_MATCH, HELIX_MAX } BI_PAIR_TYPE; struct BI_helix_entry { long pair_pos; BI_PAIR_TYPE pair_type; char *helix_nr; long next_pair_pos; /* next position with pair_type != HELIX_NONE * contains * 0 if uninitialized, * -1 behind last position */ bool allocated; }; class BI_helix { BI_helix_entry *entries; size_t Size; void _init(void); static char *helix_error; // error occurring during init is stored here const char *init(GBDATA *gb_main, const char *alignment_name, const char *helix_nr_name, const char *helix_name); protected: char *pairs[HELIX_MAX]; char *char_bind[HELIX_MAX]; bool is_pairtype(char left, char right, BI_PAIR_TYPE pair_type); public: static char *get_error() { return helix_error; } static void clear_error() { freeset(helix_error, NULL); } static void set_error(const char *err) { freedup(helix_error, err); } BI_helix(void); ~BI_helix(void); const char *init(GBDATA *gb_main); const char *init(GBDATA *gb_main, const char *alignment_name); const char *init(GBDATA *gb_helix_nr,GBDATA *gb_helix,size_t size); const char *initFromData(const char *helix_nr, const char *helix, size_t size); int check_pair(char left, char right, BI_PAIR_TYPE pair_type); // return 1 if bases form a pair size_t size() const { return Size; } bool has_entries() const { return entries; } const BI_helix_entry& entry(size_t pos) const { bi_assert(pos no opposite position return Entry.pair_pos; } BI_PAIR_TYPE pairtype(size_t pos) const { return pos= absLen) abs = absLen-1; return abs2rel[abs]; } size_t rel_2_abs(size_t rel) const { bi_assert(gotData()); if (rel >= relLen) rel = relLen-1; return rel2abs[rel]; } size_t base_count() const { return relLen; } }; #endif ./arbsrc_9167/SL/HELIX/Makefile0000644012664100000130000000227611440743001015767 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = BI_helix.o OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl BI_helix.o: BI_helix.hxx BI_helix.o: $(ARBHOME)/INCLUDE/ad_k_prot.h BI_helix.o: $(ARBHOME)/INCLUDE/ad_prot.h BI_helix.o: $(ARBHOME)/INCLUDE/ad_t_prot.h BI_helix.o: $(ARBHOME)/INCLUDE/arb_assert.h BI_helix.o: $(ARBHOME)/INCLUDE/arbdb.h BI_helix.o: $(ARBHOME)/INCLUDE/arbdb_base.h BI_helix.o: $(ARBHOME)/INCLUDE/arbdbt.h BI_helix.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/SL/Makefile0000644012664100000130000000367111440743001015116 0ustar arb_buildcoders ARCHS_ALL = \ TREE_READ/TREE_READ.dummy \ TREE_WRITE/TREE_WRITE.dummy \ HELIX/HELIX.dummy \ AW_HELIX/AW_HELIX.dummy \ AW_NAME/AW_NAME.dummy \ DB_SCANNER/DB_SCANNER.dummy \ FILE_BUFFER/FILE_BUFFER.dummy \ REGEXPR/REGEXPR.dummy \ FAST_ALIGNER/FAST_ALIGNER.dummy \ # -------------------------------------------------------------------------------- # If a package is available as debian package it should go here ARCHS_NON_DEBIAN = \ # -------------------------------------------------------------------------------- ifdef DEBIAN ARCHS = $(ARCHS_ALL) else ARCHS = $(ARCHS_ALL) $(ARCHS_NON_DEBIAN) endif # -------------------------------------------------------------------------------- # warnings in this subtree? RAISE_WARNINGS=1 ifeq ($(RAISE_WARNINGS),0) CPP:=$(CPP:-W -Wall=-w) ACC:=$(ACC:-W -Wall=-w) endif include $(ARBHOME)/SOURCE_TOOLS/export2sub # -------------------------------------------------------------------------------- $(MAIN): $(ARCHS) depends: $(ARCHS:.dummy=.depend) clean: $(ARCHS:.dummy=.clean) %.depend: @cp -p $(@D)/Makefile $(@D)/Makefile.old # save old Makefile @$(MAKE) -C $(@D) -r depends @grep "^# DO NOT DELETE" $(@D)/Makefile >/dev/null # check whether sub Makefile has dependencies @cat $(@D)/Makefile \ | ../SOURCE_TOOLS/fix_depends.pl \ >$(@D)/Makefile.2 @mv $(@D)/Makefile.old $(@D)/Makefile # restore old Makefile @$(ARBHOME)/SOURCE_TOOLS/mv_if_diff $(@D)/Makefile.2 $(@D)/Makefile # update Makefile if changed %.dummy: @(($(MAKE) -C $(@D) -r \ "ARB = yes" \ "MAIN = $(@F:.dummy=.a)" \ "cflags = $(cflags) -DIN_ARB_$(@D:/=)" \ >$(@D).log 2>&1 && (cat $(@D).log;rm $(@D).log)) || (cat $(@D).log;rm $(@D).log;false)) %.clean: @$(MAKE) -C $(@D) \ clean # the end of the above command avoids that the output of parallel make calls gets mixed up # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ./arbsrc_9167/SL/REGEXPR/Makefile0000644012664100000130000000233411440743001016225 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = RegExpr.o OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl RegExpr.o: RegExpr.hxx RegExpr.o: $(ARBHOME)/INCLUDE/ad_k_prot.h RegExpr.o: $(ARBHOME)/INCLUDE/ad_prot.h RegExpr.o: $(ARBHOME)/INCLUDE/ad_t_prot.h RegExpr.o: $(ARBHOME)/INCLUDE/arb_assert.h RegExpr.o: $(ARBHOME)/INCLUDE/arbdb.h RegExpr.o: $(ARBHOME)/INCLUDE/arbdb_base.h RegExpr.o: $(ARBHOME)/INCLUDE/arbdbt.h RegExpr.o: $(ARBHOME)/INCLUDE/arbtools.h RegExpr.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/SL/REGEXPR/RegExpr.cxx0000644012664100000130000000671711440743001016676 0ustar arb_buildcoders// ============================================================= // // // // File : RegExpr.cxx // // Purpose : Wrapper for ARBDB regular expressions // // // // Coded by Ralf Westram (coder@reallysoft.de) in April 2009 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #include "RegExpr.hxx" #include #include using namespace std; struct GBS_regex { regex_t compiled; }; // definition exists twice (see ../../ARBDB/admatch.c) RegExpr::RegExpr(const std::string& expression_, bool ignore_case_) : expression(expression_) , ignore_case(ignore_case_) , comreg(0) , matches(0) { } RegExpr::~RegExpr() { if (comreg) GBS_free_regexpr(comreg); free(matches); } void RegExpr::compile() const { if (!comreg) { delete [] matches; matches = NULL; GB_ERROR error = 0; comreg = GBS_compile_regexpr(expression.c_str(), ignore_case ? GB_IGNORE_CASE : GB_MIND_CASE, &error); if (error) throw string(error); re_assert(comreg); } } void RegExpr::perform_match(const char *str, size_t offset) const { /* Searches for first match (and submatches) in 'str' * * sets member 'matches' to array of match + subexpression matches (heap-copy) * or to NULL if nothing matched * * If 'offset' > 0, then str is searched from position 'offset'. * In this case it is assumed, that we are not at line start! */ delete [] matches; matches = NULL; size_t subs = subexpr_count(); regmatch_t *possMatch = (regmatch_t*)malloc((subs+1) * sizeof(regmatch_t)); int eflags = offset ? REG_NOTBOL : 0; int res = regexec(&comreg->compiled, str+offset, subs+1, possMatch, eflags); if (res != REG_NOMATCH) { matches = new RegMatch[subs+1]; for (size_t s = 0; s <= subs; s++) { if (possMatch[s].rm_so != -1) { // real match matches[s] = RegMatch(possMatch[s].rm_so+offset, possMatch[s].rm_eo+offset); } } re_assert(matches[0].didMatch()); // complete match has to be found } free(possMatch); } void RegExpr::test() const { compile(); } const RegMatch *RegExpr::match(const std::string& versus, size_t offset) const { if (!comreg) compile(); // lazy compilation perform_match(versus.c_str(), offset); return matches ? &matches[0] : NULL; } size_t RegExpr::subexpr_count() const { if (!comreg) compile(); // lazy compilation return comreg->compiled.re_nsub; } const RegMatch *RegExpr::subexpr_match(size_t subnr) const { // get subexpression match from last 'match()' // (or NULL if subexpression 'subnr' did not match) // // 'subnr' is in range [1..subexpr_count()] const RegMatch *result = 0; if (matches) { size_t subs = subexpr_count(); re_assert(subnr >= 1 && subnr <= subs); // illegal subexpression index if (subnr >= 1 && subnr <= subs) { if (matches[subnr].didMatch()) result = &matches[subnr]; } } return result; } ./arbsrc_9167/SL/REGEXPR/RegExpr.hxx0000644012664100000130000000511011213220015016656 0ustar arb_buildcoders// ============================================================= // // // // File : RegExpr.hxx // // Purpose : Wrapper for ARBDB regular expressions // // // // Coded by Ralf Westram (coder@reallysoft.de) in April 2009 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #ifndef REGEXPR_HXX #define REGEXPR_HXX #ifndef ARBTOOLS_H #include #endif #ifndef ARB_ASSERT_H #include #endif #define re_assert(cond) arb_assert(cond) #ifndef _CPP_STRING #include #endif struct GBS_regex; class RegMatch { size_t start; size_t behind_last; public: bool didMatch() const { return start != std::string::npos; } RegMatch() : start(std::string::npos), behind_last(std::string::npos) {} RegMatch(size_t start_, size_t behind_last_) : start(start_) , behind_last(behind_last_) { re_assert(start != std::string::npos); re_assert(behind_last != std::string::npos); re_assert(start <= behind_last); } size_t pos() const { return start; } size_t len() const { return behind_last-start; } size_t posBehindMatch() const { return behind_last; } std::string extract(const std::string& s) const { re_assert(didMatch()); return s.substr(pos(), len()); } }; class RegExpr : Noncopyable { std::string expression; // the regular expression bool ignore_case; mutable GBS_regex *comreg; // compiled regular expression (NULL if not compiled yet) mutable RegMatch *matches; // set by match (NULL if failed or not performed yet) void compile() const; void perform_match(const char *str, size_t offset) const; public: RegExpr(const std::string& expression_, bool ignore_case); ~RegExpr(); void test() const; size_t subexpr_count() const; // Note: calling 'match()' invalidates results from previous 'match()' and 'subexpr_match()'-calls const RegMatch *match(const std::string& versus, size_t offset = 0) const; const RegMatch *subexpr_match(size_t subnr) const; // get subexpression match from last 'match()' }; #else #error RegExpr.hxx included twice #endif // REGEXPR_HXX ./arbsrc_9167/SL/TREE_READ/Makefile0000644012664100000130000000307311440743001016444 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = TreeRead.o TreeTools.o OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl TreeRead.o: TreeRead.h TreeRead.o: $(ARBHOME)/INCLUDE/ad_k_prot.h TreeRead.o: $(ARBHOME)/INCLUDE/ad_prot.h TreeRead.o: $(ARBHOME)/INCLUDE/ad_t_prot.h TreeRead.o: $(ARBHOME)/INCLUDE/arb_assert.h TreeRead.o: $(ARBHOME)/INCLUDE/arbdb.h TreeRead.o: $(ARBHOME)/INCLUDE/arbdb_base.h TreeRead.o: $(ARBHOME)/INCLUDE/arbdbt.h TreeRead.o: $(ARBHOME)/INCLUDE/attributes.h TreeTools.o: TreeRead.h TreeTools.o: $(ARBHOME)/INCLUDE/ad_k_prot.h TreeTools.o: $(ARBHOME)/INCLUDE/ad_prot.h TreeTools.o: $(ARBHOME)/INCLUDE/ad_t_prot.h TreeTools.o: $(ARBHOME)/INCLUDE/arb_assert.h TreeTools.o: $(ARBHOME)/INCLUDE/arbdb.h TreeTools.o: $(ARBHOME)/INCLUDE/arbdb_base.h TreeTools.o: $(ARBHOME)/INCLUDE/arbdbt.h TreeTools.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/SL/TREE_READ/TreeRead.cxx0000644012664100000130000004004111440743001017217 0ustar arb_buildcoders// ============================================================ // // // // File : TreeRead.cxx // // Purpose : load tree from file // // // // Institute of Microbiology (Technical University Munich) // // www.arb-home.de // // // // ============================================================ // #include "TreeRead.h" #include #define tree_assert(cond) arb_assert(cond) /******************************************************************************************** load a tree from file system ********************************************************************************************/ /* -------------------- */ /* TreeReader */ /* -------------------- */ enum tr_lfmode { LF_UNKNOWN, LF_N, LF_R, LF_NR, LF_RN, }; typedef struct { char *tree_file_name; FILE *in; int last_character; // may be EOF int line_cnt; struct GBS_strstruct *tree_comment; double max_found_branchlen; double max_found_bootstrap; GB_ERROR error; enum tr_lfmode lfmode; } TreeReader; static void setReaderError(TreeReader *reader, const char *message) { tree_assert(!reader->error); reader->error = GBS_global_string("Error reading %s:%i: %s", reader->tree_file_name, reader->line_cnt, message); } static char gbt_getc(TreeReader *reader) { // reads character from stream // - converts linefeeds for DOS- and MAC-textfiles // - increments line_cnt char c = getc(reader->in); int inc = 0; if (c == '\n') { switch (reader->lfmode) { case LF_UNKNOWN: reader->lfmode = LF_N; inc = 1; break; case LF_N: inc = 1; break; case LF_R: reader->lfmode = LF_RN; c = gbt_getc(reader); break; case LF_NR: c = gbt_getc(reader); break; case LF_RN: inc = 1; break; } } else if (c == '\r') { switch (reader->lfmode) { case LF_UNKNOWN: reader->lfmode = LF_R; inc = 1; break; case LF_R: inc = 1; break; case LF_N: reader->lfmode = LF_NR; c = gbt_getc(reader); break; case LF_RN: c = gbt_getc(reader); break; case LF_NR: inc = 1; break; } if (c == '\r') c = '\n'; // never report '\r' } if (inc) reader->line_cnt++; return c; } static char gbt_read_char(TreeReader *reader) { GB_BOOL done = GB_FALSE; int c = ' '; while (!done) { c = gbt_getc(reader); if (c == ' ' || c == '\t' || c == '\n') ; // skip else if (c == '[') { // collect tree comment(s) int openBrackets = 1; if (GBS_memoffset(reader->tree_comment)) { // not first comment -> do new line GBS_chrcat(reader->tree_comment, '\n'); } while (openBrackets && !reader->error) { c = gbt_getc(reader); switch (c) { case EOF: setReaderError(reader, "Reached end of file while reading comment"); break; case ']': openBrackets--; if (openBrackets) GBS_chrcat(reader->tree_comment, c); // write all but last closing brackets break; case '[': openBrackets++; // fall-through default: GBS_chrcat(reader->tree_comment, c); break; } } } else done = GB_TRUE; } reader->last_character = c; return c; } static char gbt_get_char(TreeReader *reader) { int c = gbt_getc(reader); reader->last_character = c; return c; } static TreeReader *newTreeReader(FILE *input, const char *file_name) { TreeReader *reader = (TreeReader*)GB_calloc(1, sizeof(*reader)); reader->tree_file_name = strdup(file_name); reader->in = input; reader->tree_comment = GBS_stropen(2048); reader->max_found_branchlen = -1; reader->max_found_bootstrap = -1; reader->line_cnt = 1; reader->lfmode = LF_UNKNOWN; gbt_read_char(reader); return reader; } static void freeTreeReader(TreeReader *reader) { free(reader->tree_file_name); if (reader->tree_comment) GBS_strforget(reader->tree_comment); free(reader); } static char *getTreeComment(TreeReader *reader) { /* can only be called once. Deletes the comment from TreeReader! */ char *comment = 0; if (reader->tree_comment) { comment = GBS_strclose(reader->tree_comment); reader->tree_comment = 0; } return comment; } /* ------------------------------------------------------------ * The following functions assume that the "current" character * has already been read into 'TreeReader->last_character' */ static void gbt_eat_white(TreeReader *reader) { int c = reader->last_character; while ((c == ' ') || (c == '\n') || (c == '\r') || (c == '\t')){ c = gbt_get_char(reader); } } static double gbt_read_number(TreeReader *reader) { char strng[256]; char *s = strng; int c = reader->last_character; double fl; while (((c<='9') && (c>='0')) || (c=='.') || (c=='-') || (c=='e') || (c=='E')) { *(s++) = c; c = gbt_get_char(reader); } *s = 0; fl = GB_atof(strng); gbt_eat_white(reader); return fl; } static char *gbt_read_quoted_string(TreeReader *reader){ /* Read in a quoted or unquoted string. * in quoted strings double quotes ('') are replaced by (') */ char buffer[1024]; char *s = buffer; int c = reader->last_character; if (c == '\'') { c = gbt_get_char(reader); while ( (c!= EOF) && (c!='\'') ) { gbt_lt_double_quot: *(s++) = c; if ((s-buffer) > 1000) { *s = 0; setReaderError(reader, GBS_global_string("Name '%s' longer than 1000 bytes", buffer)); return NULL; } c = gbt_get_char(reader); } if (c == '\'') { c = gbt_read_char(reader); if (c == '\'') goto gbt_lt_double_quot; } }else{ while ( c== '_') c = gbt_read_char(reader); while ( c== ' ') c = gbt_read_char(reader); while ( (c != ':') && (c!= EOF) && (c!=',') && (c!=';') && (c!= ')') ) { *(s++) = c; if ((s-buffer) > 1000) { *s = 0; setReaderError(reader, GBS_global_string("Name '%s' longer than 1000 bytes", buffer)); return NULL; } c = gbt_read_char(reader); } } *s = 0; return strdup(buffer); } static void setBranchName(TreeReader *reader, GBT_TREE *node, char *name) { /* detect bootstrap values */ /* name has to be stored in node or must be free'ed */ char *end = 0; double bootstrap = strtod(name, &end); if (end == name) { // no digits -> no bootstrap node->name = name; } else { bootstrap = bootstrap*100.0 + 0.5; // needed if bootstrap values are between 0.0 and 1.0 */ // downscaling in done later! if (bootstrap>reader->max_found_bootstrap) { reader->max_found_bootstrap = bootstrap; } tree_assert(node->remark_branch == 0); node->remark_branch = GBS_global_string_copy("%i%%", (int)bootstrap); if (end[0] != 0) { // sth behind bootstrap value if (end[0] == ':') ++end; // ARB format for nodes with bootstraps AND node name is 'bootstrap:nodename' node->name = strdup(end); } free(name); } } static bool gbt_readNameAndLength(TreeReader *reader, GBT_TREE *node, GBT_LEN *len) { /* reads the branch-length and -name '*len' should normally be initialized with TREE_DEFLEN_MARKER * returns the branch-length in 'len' and sets the branch-name of 'node' * returns GB_TRUE if successful, otherwise reader->error gets set */ bool done = false; while (!done && !reader->error) { switch (reader->last_character) { case ';': case ',': case ')': done = GB_TRUE; break; case ':': gbt_read_char(reader); /* drop ':' */ *len = gbt_read_number(reader); if (*len>reader->max_found_branchlen) { reader->max_found_branchlen = *len; } break; default: { char *branchName = gbt_read_quoted_string(reader); if (branchName) { setBranchName(reader, node, branchName); } else { setReaderError(reader, "Expected branch-name or one of ':;,)'"); } break; } } } return !reader->error; } static GBT_TREE *gbt_linkedTreeNode(GBT_TREE *left, GBT_LEN leftlen, GBT_TREE *right, GBT_LEN rightlen, int structuresize) { GBT_TREE *node = (GBT_TREE*)GB_calloc(1, structuresize); node->leftson = left; node->leftlen = leftlen; node->rightson = right; node->rightlen = rightlen; left->father = node; right->father = node; return node; } static GBT_TREE *gbt_load_tree_rek(TreeReader *reader, int structuresize, GBT_LEN *nodeLen) { GBT_TREE *node = 0; if (reader->last_character == '(') { gbt_read_char(reader); // drop the '(' GBT_LEN leftLen = TREE_DEFLEN_MARKER; GBT_TREE *left = gbt_load_tree_rek(reader, structuresize, &leftLen); tree_assert(left || reader->error); if (left) { if (gbt_readNameAndLength(reader, left, &leftLen)) { switch (reader->last_character) { case ')': /* single node */ *nodeLen = leftLen; node = left; left = 0; break; case ',': { GBT_LEN rightLen = TREE_DEFLEN_MARKER; GBT_TREE *right = 0; while (reader->last_character == ',' && !reader->error) { if (right) { /* multi-branch */ GBT_TREE *pair = gbt_linkedTreeNode(left, leftLen, right, rightLen, structuresize); left = pair; leftLen = 0; right = 0; rightLen = TREE_DEFLEN_MARKER; } gbt_read_char(reader); /* drop ',' */ right = gbt_load_tree_rek(reader, structuresize, &rightLen); if (right) gbt_readNameAndLength(reader, right, &rightLen); } if (reader->last_character == ')') { node = gbt_linkedTreeNode(left, leftLen, right, rightLen, structuresize); *nodeLen = TREE_DEFLEN_MARKER; left = 0; right = 0; gbt_read_char(reader); /* drop ')' */ } else { setReaderError(reader, "Expected one of ',)'"); } free(right); break; } default: setReaderError(reader, "Expected one of ',)'"); break; } } else { tree_assert(reader->error); } free(left); } } else { /* single node */ gbt_eat_white(reader); char *name = gbt_read_quoted_string(reader); if (name) { node = (GBT_TREE*)GB_calloc(1, structuresize); node->is_leaf = GB_TRUE; node->name = name; } else { setReaderError(reader, "Expected quoted string"); } } tree_assert(node || reader->error); return node; } GBT_TREE *TREE_load(const char *path, int structuresize, char **commentPtr, int allow_length_scaling, char **warningPtr) { /* Load a newick compatible tree from file 'path', structure size should be >0, see GBT_read_tree for more information if commentPtr != NULL -> set it to a malloc copy of all concatenated comments found in tree file if warningPtr != NULL -> set it to a malloc copy auto-scale-warning (if autoscaling happens) */ GBT_TREE *tree = 0; FILE *input = fopen(path, "rt"); GB_ERROR error = 0; if (!input) { error = GBS_global_string("No such file: %s", path); } else { const char *name_only = strrchr(path, '/'); if (name_only) ++name_only; else name_only = path; TreeReader *reader = newTreeReader(input, name_only); GBT_LEN rootNodeLen = TREE_DEFLEN_MARKER; /* root node has no length. only used as input to gbt_load_tree_rek*/ tree = gbt_load_tree_rek(reader, structuresize, &rootNodeLen); fclose(input); if (reader->error) { GBT_delete_tree(tree); tree = 0; error = reader->error; } if (tree) { double bootstrap_scale = 1.0; double branchlen_scale = 1.0; if (reader->max_found_bootstrap >= 101.0) { // bootstrap values were given in percent bootstrap_scale = 0.01; if (warningPtr) { *warningPtr = GBS_global_string_copy("Auto-scaling bootstrap values by factor %.2f (max. found bootstrap was %5.2f)", bootstrap_scale, reader->max_found_bootstrap); } } if (reader->max_found_branchlen >= 1.01) { // assume branchlengths have range [0;100] if (allow_length_scaling) { branchlen_scale = 0.01; if (warningPtr) { char *w = GBS_global_string_copy("Auto-scaling branchlengths by factor %.2f (max. found branchlength = %5.2f)", branchlen_scale, reader->max_found_branchlen); if (*warningPtr) { char *w2 = GBS_global_string_copy("%s\n%s", *warningPtr, w); free(*warningPtr); free(w); *warningPtr = w2; } else { *warningPtr = w; } } } } TREE_scale(tree, branchlen_scale, bootstrap_scale); // scale bootstraps and branchlengths if (commentPtr) { char *comment = getTreeComment(reader); const char *loaded_from = GBS_global_string("Loaded from %s", path); freeset(comment, TREE_log_action_to_tree_comment(comment, loaded_from)); tree_assert(*commentPtr == 0); *commentPtr = comment; } } freeTreeReader(reader); } tree_assert(tree||error); if (error) { GB_export_errorf("Import tree: %s", error); tree_assert(!tree); } return tree; } ./arbsrc_9167/SL/TREE_READ/TreeRead.h0000644012664100000130000000244611440743001016653 0ustar arb_buildcoders// ============================================================ // // // // File : TreeRead.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in June 2009 // // Institute of Microbiology (Technical University Munich) // // www.arb-home.de // // // // ============================================================ // #ifndef TREEREAD_H #define TREEREAD_H #ifndef ARBDBT_H #include #endif #define TREE_DEFLEN 0.1 /* default length of tree-edge w/o given length */ #define TREE_DEFLEN_MARKER -1000.0 /* tree-edges w/o length are marked with this value during read and corrected in TREE_scale */ GBT_TREE *TREE_load(const char *path, int structuresize, char **commentPtr, int allow_length_scaling, char **warningPtr); void TREE_scale(GBT_TREE *tree, double length_scale, double bootstrap_scale); char *TREE_log_action_to_tree_comment(const char *comment, const char *action); #else #error TreeRead.h included twice #endif // TREEREAD_H ./arbsrc_9167/SL/TREE_READ/TreeTools.cxx0000644012664100000130000000514111440743001017446 0ustar arb_buildcoders// ============================================================ // // // // File : TreeTools.cxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // www.arb-home.de // // // // ============================================================ // #include "TreeRead.h" #include void TREE_scale(GBT_TREE *tree, double length_scale, double bootstrap_scale) { if (tree->leftson) { if (tree->leftlen <= TREE_DEFLEN_MARKER) tree->leftlen = TREE_DEFLEN; else tree->leftlen *= length_scale; TREE_scale(tree->leftson, length_scale, bootstrap_scale); } if (tree->rightson) { if (tree->rightlen <= TREE_DEFLEN_MARKER) tree->rightlen = TREE_DEFLEN; else tree->rightlen *= length_scale; TREE_scale(tree->rightson, length_scale, bootstrap_scale); } if (tree->remark_branch) { const char *end = 0; double bootstrap = strtod(tree->remark_branch, (char**)&end); bool is_bootstrap = end[0] == '%' && end[1] == 0; freeset(tree->remark_branch, 0); if (is_bootstrap) { bootstrap = bootstrap*bootstrap_scale+0.5; tree->remark_branch = GBS_global_string_copy("%i%%", (int)bootstrap); } } } static char *dated_info(const char *info) { char *dated_info = 0; time_t date; if (time(&date) != -1) { char *dstr = ctime(&date); char *nl = strchr(dstr, '\n'); if (nl) nl[0] = 0; // cut off LF dated_info = GBS_global_string_copy("%s: %s", dstr, info); } else { dated_info = strdup(info); } return dated_info; } char *TREE_log_action_to_tree_comment(const char *comment, const char *action) { size_t clen = comment ? strlen(comment) : 0; size_t alen = strlen(action); GBS_strstruct *new_comment = GBS_stropen(clen+alen+100); if (comment) { GBS_strcat(new_comment, comment); if (comment[clen-1] != '\n') GBS_chrcat(new_comment, '\n'); } char *dated_action = dated_info(action); GBS_strcat(new_comment, dated_action); GBS_chrcat(new_comment, '\n'); free(dated_action); return GBS_strclose(new_comment); } ./arbsrc_9167/SL/TREE_WRITE/Makefile0000644012664100000130000000243211440743001016621 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .c .cxx .depend C_OBJECTS = CPP_OBJECTS = TreeWrite.o OBJECTS=$(C_OBJECTS) $(CPP_OBJECTS) $(MAIN): $(OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(AINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl TreeWrite.o: TreeWrite.h TreeWrite.o: $(ARBHOME)/INCLUDE/ad_k_prot.h TreeWrite.o: $(ARBHOME)/INCLUDE/ad_prot.h TreeWrite.o: $(ARBHOME)/INCLUDE/ad_t_prot.h TreeWrite.o: $(ARBHOME)/INCLUDE/arb_assert.h TreeWrite.o: $(ARBHOME)/INCLUDE/arbdb.h TreeWrite.o: $(ARBHOME)/INCLUDE/arbdb_base.h TreeWrite.o: $(ARBHOME)/INCLUDE/arbdbt.h TreeWrite.o: $(ARBHOME)/INCLUDE/attributes.h TreeWrite.o: $(ARBHOME)/INCLUDE/TreeRead.h TreeWrite.o: $(ARBHOME)/INCLUDE/xml.hxx ./arbsrc_9167/SL/TREE_WRITE/TreeWrite.cxx0000644012664100000130000003545111440743001017626 0ustar arb_buildcoders#include #include #include #include using namespace std; #define tree_assert(cond) arb_assert(cond) static void export_tree_label(const char *label, FILE *out, TREE_node_quoting qmode) { // writes a label into the Newick file // label is quoted if necessary // label may be an internal_node_label, a leaf_label or a root_label tree_assert(label); const char *disallowed_chars = " \t\'\"()[]:;,"; // '(' is first problem_char const char *problem_chars = disallowed_chars+4; tree_assert(problem_chars[0] == '('); bool need_quotes = strpbrk(label, disallowed_chars) != NULL; char used_quote = 0; if ((qmode & TREE_FORCE_QUOTES) || need_quotes) { if (qmode&TREE_SINGLE_QUOTES) used_quote = '\''; else if (qmode&TREE_DOUBLE_QUOTES) used_quote = '\"'; } if (used_quote) { bool force_replace = (qmode & TREE_FORCE_REPLACE); fputc(used_quote, out); while (*label) { char c = *label++; if (c == used_quote || // replace used quote by an '_' if it appears inside label (force_replace && strchr(problem_chars, c))) // replace all problematic characters if requested { c = '_'; } fputc(c, out); } fputc(used_quote, out); } else { // unquoted label - always replace all problematic characters by '_' for (int i = 0; label[i]; ++i) { fputc(strchr(disallowed_chars, label[i]) ? '_' : label[i], out); } } } // documentation of the Newick Format is in ../SOURCE_TOOLS/docs/newick_doc.html inline void indentTo(int indent, FILE *out) { for (int i = 0; i < indent; i++) { putc(' ',out); putc(' ',out); } } static const char *export_tree_node_print(GBDATA *gb_main, FILE *out, GBT_TREE *tree, const char *tree_name, bool pretty, int indent, const TREE_node_text_gen *node_gen, bool save_branchlengths, bool save_bootstraps, bool save_groupnames, TREE_node_quoting qmode) { const char *error = 0; const char *buf; if (pretty) indentTo(indent, out); if (tree->is_leaf) { if (node_gen) buf = node_gen->gen(gb_main, tree->gb_node,0,tree, tree_name); else buf = tree->name; export_tree_label(buf, out, qmode); } else { if (pretty) fputs("(\n", out); else putc('(', out); error = export_tree_node_print(gb_main, out, tree->leftson, tree_name, pretty, indent+1, node_gen, save_branchlengths, save_bootstraps, save_groupnames, qmode); if (save_branchlengths) fprintf(out, ":%.5f", tree->leftlen); fputs(",\n", out); if (error) return error; error = export_tree_node_print(gb_main, out, tree->rightson, tree_name, pretty, indent+1, node_gen, save_branchlengths, save_bootstraps, save_groupnames, qmode); if (save_branchlengths) fprintf(out, ":%.5f", tree->rightlen); fputc('\n', out); if (pretty) indentTo(indent, out); fputc(')', out); buf = 0; char *bootstrap = 0; if (tree->remark_branch && save_bootstraps) { const char *boot = tree->remark_branch; if (boot[strlen(boot)-1] == '%') { // does remark_branch contain a bootstrap value ? char *end = 0; double val = strtod(boot, &end); tree_assert(end[0] == '%'); // otherwise sth strange is contained in remark_branch boot = GBS_global_string("%i", int(val+0.5)); } bootstrap = strdup(boot); } if (tree->name && save_groupnames) buf = tree->name; const char *print = 0; if (buf) { if (bootstrap) print = GBS_global_string("%s:%s", bootstrap, buf); else print = buf; } else if (bootstrap) print = bootstrap; if (print) export_tree_label(print, out, qmode); free(bootstrap); } return error; } inline string buildNodeIdentifier(const string& parent_id, int& son_counter) { ++son_counter; if (parent_id.empty()) return GBS_global_string("n_%i", son_counter); return GBS_global_string("%s.%i", parent_id.c_str(), son_counter); } static const char *export_tree_node_print_xml(GBDATA *gb_main, GBT_TREE *tree, double my_length, const char *tree_name, const TREE_node_text_gen *node_gen, bool skip_folded, const string& parent_id, int& parent_son_counter) { const char *error = 0; if (tree->is_leaf) { XML_Tag item_tag("ITEM"); item_tag.add_attribute("name", buildNodeIdentifier(parent_id, parent_son_counter)); item_tag.add_attribute("itemname", node_gen ? node_gen->gen(gb_main, tree->gb_node, 0, tree, tree_name) : tree->name); item_tag.add_attribute("length", GBS_global_string("%.5f", my_length)); } else { char *groupname = 0; char *bootstrap = 0; if (tree->remark_branch) { const char *boot = tree->remark_branch; if (boot[0] && boot[strlen(boot)-1] == '%') { // does remark_branch contain a bootstrap value ? char *end = 0; double val = strtod(boot, &end); tree_assert(end[0] == '%'); // otherwise sth strange is contained in remark_branch bootstrap = GBS_global_string_copy("%i", int(val+0.5)); } } bool folded = false; if (tree->name) { const char *buf; if (node_gen) buf = node_gen->gen(gb_main, tree->gb_node,0,tree, tree_name); else buf = tree->name; tree_assert(buf); groupname = strdup(buf); GBDATA *gb_grouped = GB_entry(tree->gb_node, "grouped"); if (gb_grouped) { folded = GB_read_byte(gb_grouped); } } if (my_length || bootstrap || groupname ) { bool hide_this_group = skip_folded && folded; // hide folded groups only if skip_folded is true XML_Tag branch_tag(hide_this_group ? "FOLDED_GROUP" : "BRANCH"); string my_id = buildNodeIdentifier(parent_id, parent_son_counter); branch_tag.add_attribute("name", my_id); if (my_length) { branch_tag.add_attribute("length", GBS_global_string("%.5f", my_length)); } if (bootstrap) { branch_tag.add_attribute("bootstrap", bootstrap); freeset(bootstrap, 0); } if (groupname) { branch_tag.add_attribute("groupname", groupname); freeset(groupname, 0); if (folded) branch_tag.add_attribute("folded", "1"); } else { tree_assert(!folded); } int my_son_counter = 0; if (hide_this_group) { branch_tag.add_attribute("items_in_group", GBT_count_nodes(tree)); } else { if (!error) error = export_tree_node_print_xml(gb_main, tree->leftson, tree->leftlen, tree_name, node_gen, skip_folded, my_id, my_son_counter); if (!error) error = export_tree_node_print_xml(gb_main, tree->rightson, tree->rightlen, tree_name, node_gen, skip_folded, my_id, my_son_counter); } } else { if (!error) error = export_tree_node_print_xml(gb_main, tree->leftson, tree->leftlen, tree_name, node_gen, skip_folded, parent_id, parent_son_counter); if (!error) error = export_tree_node_print_xml(gb_main, tree->rightson, tree->rightlen, tree_name, node_gen, skip_folded, parent_id, parent_son_counter); } } return error; } GB_ERROR TREE_write_XML(GBDATA *gb_main, const char *db_name, const char *tree_name, const TREE_node_text_gen *node_gen, bool skip_folded, const char *path) { GB_ERROR error = 0; FILE *output = fopen(path, "w"); if (!output) error = GB_export_errorf("file '%s' could not be opened for writing", path); else { GB_transaction gb_dummy(gb_main); GBT_TREE *tree = GBT_read_tree(gb_main,tree_name,sizeof(GBT_TREE)); if (!tree) error = GB_await_error(); else { error = GBT_link_tree(tree,gb_main,GB_TRUE, 0, 0); if (!error && node_gen) node_gen->init(gb_main); if (!error) { GBDATA *tree_cont = GBT_get_tree(gb_main,tree_name); GBDATA *tree_remark = GB_entry(tree_cont, "remark"); XML_Document xml_doc("ARB_TREE", "arb_tree.dtd", output); xml_doc.add_attribute("database", db_name); xml_doc.add_attribute("treename", tree_name); xml_doc.add_attribute("export_date", GB_date_string()); if (tree_remark) { char *remark = GB_read_string(tree_remark); XML_Tag remark_tag("COMMENT"); XML_Text remark_text(remark); free(remark); } int my_son_counter = 0; error = export_tree_node_print_xml(gb_main,tree,0.0, tree_name, node_gen, skip_folded, "", my_son_counter); } } fclose(output); } return error; } static char *complete_newick_comment(const char *comment) { // ensure that all '[' in 'comment' are closed by corresponding ']' by inserting additional brackets int openBrackets = 0; struct GBS_strstruct *out = GBS_stropen(strlen(comment)*1.1); for (int o = 0; comment[o]; ++o) { switch (comment[o]) { case '[': openBrackets++; break; case ']': if (openBrackets == 0) { GBS_chrcat(out, '['); // insert one } else { openBrackets--; } break; default: break; } GBS_chrcat(out, comment[o]); } while (openBrackets>0) { GBS_chrcat(out, ']'); // insert one openBrackets--; } gb_assert(openBrackets == 0); return GBS_strclose(out); } GB_ERROR TREE_write_Newick(GBDATA *gb_main, char *tree_name, const TREE_node_text_gen *node_gen, bool save_branchlengths, bool save_bootstraps, bool save_groupnames, bool pretty, TREE_node_quoting quoteMode, char *path) { GB_ERROR error = 0; FILE *output = fopen(path, "w"); if (!output) error = GB_export_errorf("file '%s' could not be opened for writing", path); else { GB_transaction gb_dummy(gb_main); GBT_TREE *tree = GBT_read_tree(gb_main,tree_name,sizeof(GBT_TREE)); if (!tree) error = GB_await_error(); else { error = GBT_link_tree(tree,gb_main,GB_TRUE, 0, 0); if (!error && node_gen) node_gen->init(gb_main); if (!error) { char *remark = 0; GBDATA *tree_cont = GBT_get_tree(gb_main,tree_name); GBDATA *tree_remark = GB_entry(tree_cont, "remark"); if (tree_remark) { remark = GB_read_string(tree_remark); } { const char *saved_to = GBS_global_string("%s saved to %s", tree_name, path); freeset(remark, TREE_log_action_to_tree_comment(remark, saved_to)); } if (remark) { char *wellformed = complete_newick_comment(remark); tree_assert(wellformed); fputc('[', output); fputs(wellformed, output); fputs("]\n", output); free(wellformed); } free(remark); if (!error) { error = export_tree_node_print(gb_main, output, tree, tree_name, pretty, 0, node_gen, save_branchlengths, save_bootstraps, save_groupnames, quoteMode); } } GBT_delete_tree(tree); } fprintf(output, ";\n"); fclose(output); } return error; } // -------------------------------------------------------------------------------- static void export_tree_node_print_remove(char *str) { int i = 0; while (char c = str[i]) { if (c == '\'' || c == '\"') str[i] = '.'; i++; } } static void export_tree_rek(GBT_TREE *tree, FILE *out, bool export_branchlens, bool dquot) { if (tree->is_leaf) { export_tree_node_print_remove(tree->name); fprintf(out, dquot ? " \"%s\" " : " '%s' ", tree->name); } else { fputc('(', out); export_tree_rek(tree->leftson, out, export_branchlens, dquot); if (export_branchlens) fprintf(out, ":%.5f,", tree->leftlen); export_tree_rek(tree->rightson, out, export_branchlens, dquot); if (export_branchlens) fprintf(out, ":%.5f", tree->rightlen); fputc(')', out); if (tree->name) { export_tree_node_print_remove(tree->name); fprintf(out, dquot ? "\"%s\"" : "'%s'", tree->name); } } } #if defined(DEBUG) #warning maybe replace TREE_export_tree by TREE_write_Newick /* need some additional parameters (no comment, trifurcation) */ #endif /* DEBUG */ GB_ERROR TREE_export_tree(GBDATA *gb_main,FILE *out,GBT_TREE *tree, bool triple_root, bool export_branchlens, bool dquot) { GBUSE(gb_main); if (triple_root){ GBT_TREE *one,*two,*three; if (tree->is_leaf){ return GB_export_error("Tree is two small, minimum 3 nodes"); } if (tree->leftson->is_leaf && tree->rightson->is_leaf){ return GB_export_error("Tree is two small, minimum 3 nodes"); } if (tree->leftson->is_leaf){ one = tree->leftson; two = tree->rightson->leftson; three = tree->rightson->rightson; }else{ one = tree->leftson->leftson; two = tree->leftson->rightson; three = tree->rightson; } fputc('(', out); export_tree_rek(one, out, export_branchlens, dquot); if (export_branchlens) fprintf(out, ":%.5f", 1.0); fputc(',', out); export_tree_rek(two, out, export_branchlens, dquot); if (export_branchlens) fprintf(out, ":%.5f", 1.0); fputc(',', out); export_tree_rek(three, out, export_branchlens, dquot); if (export_branchlens) fprintf(out, ":%.5f", 1.0); fputc(')', out); } else { export_tree_rek(tree, out, export_branchlens, dquot); } return 0; } ./arbsrc_9167/SL/TREE_WRITE/TreeWrite.h0000644012664100000130000000410211440743001017240 0ustar arb_buildcoders// ============================================================ // // // // File : TreeWrite.h // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // www.arb-home.de // // // // ============================================================ // #ifndef TREEWRITE_H #define TREEWRITE_H typedef void (*TREE_make_node_text_init)(GBDATA *gb_main); typedef const char *(*TREE_make_node_text) (GBDATA *gb_main, GBDATA * gbd, int mode, GBT_TREE *species, const char *tree_name); struct TREE_node_text_gen { TREE_make_node_text_init init; // e.g. make_node_text_init() from AWT TREE_make_node_text gen; // e.g. make_node_text_nds() from AWT TREE_node_text_gen(TREE_make_node_text_init init_, TREE_make_node_text gen_) : init(init_) , gen(gen_) {} }; enum TREE_node_quoting { TREE_DISALLOW_QUOTES = 0, // don't use quotes TREE_SINGLE_QUOTES = 1, // use single quotes TREE_DOUBLE_QUOTES = 2, // use double quotes TREE_FORCE_QUOTES = 4, // force usage of quotes TREE_FORCE_REPLACE = 8, // replace all problematic characters (default is to replace quotes in quoted labels) }; GB_ERROR TREE_write_Newick(GBDATA *gb_main, char *tree_name, const TREE_node_text_gen *node_gen, bool save_branchlengths, bool save_bootstraps, bool save_groupnames, bool pretty, TREE_node_quoting quoteMode, char *path); GB_ERROR TREE_write_XML(GBDATA *gb_main, const char *db_name, const char *tree_name, const TREE_node_text_gen *node_gen, bool skip_folded, const char *path); GB_ERROR TREE_export_tree(GBDATA *gb_main,FILE *out,GBT_TREE *tree, bool triple_root, bool export_branchlens, bool use_double_quotes); #else #error TreeWrite.h included twice #endif // TREEWRITE_H ./arbsrc_9167/SOURCE_TOOLS/arb_gcc_version.pl0000755012664100000130000000106212051173043020577 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; sub main() { my $gcc = $ENV{GCC}; if (not defined $gcc) { $gcc = 'gcc'; } my $dumpedVersion = `$gcc -dumpversion`; my $detectedVersion = 'unknown_gcc_version'; if ($dumpedVersion =~ /\..*\./) { $detectedVersion = $dumpedVersion; } else { # version info does not contain patchlevel my $detailedVersion = `$gcc --version`; if ($detailedVersion =~ /\s([0-9]+\.[0-9]+\.[0-9]+)\s/) { $detectedVersion = $1; } } chomp($detectedVersion); print $detectedVersion."\n"; } main(); ./arbsrc_9167/SOURCE_TOOLS/arb_valgrind0000755012664100000130000001114511440743001017473 0ustar arb_buildcoders#!/bin/bash if [ -z $1 ] ; then echo '' echo 'Usage: arb_valgrind [-m] [-c ] [-f ] [-l [-r]] [-A] ' echo '' echo ' runs valgrind (versions 3.x) on piping results through a filter' echo ' so that the output can be used as emacs error messages' echo '' echo ' -m use massif (default uses memcheck)' echo ' -c show stackframes (default: none)' echo ' [in fact they are always shown, but not marked as errors]' echo ' -f regexpr to filter the reason (default: all)' echo ' -l [-r] turn on leak-checking (-r for reachable blocks)' echo ' -A show known boring errors (most Xt/Motif-related)' echo ' -D run gdb on error' echo '' echo '' echo 'Usage: arb_valgrind update' echo '' echo ' Updates the source file list which is needed to create correct file refs.' echo ' Called automatically by normal use if list is missing.' echo ' Call if files are not highlighted as errors (i.e if you have new files).' echo '' echo 'Environment:' echo '' echo ' $ARBHOME a directory which has to contain a subdirectory SOURCE_TOOLS.' echo ' SOURCE_TOOLS has to contain valgrind2grep and has to be writeable for the user' echo '' echo ' $ARB_VALGRIND_SOURCE_ROOT down from here the script scans for sources' echo ' (defaults to $ARBHOME if empty)' echo '' echo 'Note: I use this from inside emacs as follows:' echo ' M-x compile' echo ' with:' echo ' (cd $ARBHOME;make nt) && arb_valgrind -l arb_ntree ~/ARB/demo.arb' echo '' echo 'There are scripts for older valgrind versions: ' ls -al $ARBHOME/SOURCE_TOOLS/arb_valgrind_* echo '' else if [ -z $ARB_VALGRIND_SOURCE_ROOT ] ; then ARB_VALGRIND_SOURCE_ROOT=$ARBHOME fi DIR=$ARBHOME/SOURCE_TOOLS LIST=$DIR/valgrind2grep.lst UPDATE=0 RUN=0 CALLERS=0 SUPPX='--suppress-common' FILTER='.*' LEAK_CHECK='' TOOL='--tool=memcheck' ATTACH='' if [ ! -f $LIST ] ; then UPDATE=1 fi if [ $1 = "update" ] ; then UPDATE=1 else RUN=1 SCAN_ARGS=1 while [ $SCAN_ARGS = 1 ] ; do SCAN_ARGS=0 if [ $1 = '-m' ] ; then TOOL='--tool=massif' shift 1 SCAN_ARGS=1 fi if [ $1 = '-c' ] ; then CALLERS=$2 shift 2 SCAN_ARGS=1 fi if [ $1 = '-f' ] ; then FILTER=$2 shift 2 SCAN_ARGS=1 fi if [ $1 = '-l' ] ; then LEAK_CHECK="$LEAK_CHECK --leak-check=yes --leak-resolution=high" shift 1 SCAN_ARGS=1 fi if [ $1 = '-r' ] ; then LEAK_CHECK="$LEAK_CHECK --show-reachable=yes" shift 1 SCAN_ARGS=1 fi if [ $1 = '-A' ] ; then SUPPX='' shift 1 SCAN_ARGS=1 fi if [ $1 = '-D' ] ; then ATTACH='--db-attach=yes' shift 1 SCAN_ARGS=1 fi done fi if [ "X$LEAK_CHECK" = "X" ] ; then LEAK_CHECK="--leak-check=no" fi if [ $UPDATE = 1 ] ; then echo "Creating list of source files starting in $ARB_VALGRIND_SOURCE_ROOT ..." find $ARB_VALGRIND_SOURCE_ROOT \! -path "*\{arch\}*" -a \ \( -name "*.[ch]" -o \ -name "*.[ch]xx" -o \ -name "*.[ch]pp" -o \ -name "*.cc" -o \ -name "*.hh" \) \ > $LIST echo 'done.' fi if [ $RUN = 1 ] ; then echo "Running valgrind on '$*' ..." echo "CALLERS='$CALLERS'" echo "FILTER ='$FILTER'" VG_CALLERS=$[$CALLERS+5] COMMAND="valgrind $TOOL -v --error-limit=no --num-callers=$VG_CALLERS $SHOW_REACHABLE $LEAK_CHECK $ATTACH $*" echo "COMMAND='$COMMAND'" if [ "$ATTACH" = "" ]; then $COMMAND 2>&1 >/tmp/arb_valgrind_$USER.stdout | $DIR/valgrind2grep $CALLERS "$FILTER" $SUPPX else $COMMAND fi echo 'valgrind done.' fi fi ./arbsrc_9167/SOURCE_TOOLS/arb_valgrind_1.x0000755012664100000130000000635511213220015020161 0ustar arb_buildcoders#!/bin/bash if [ -z $1 ] ; then echo '' echo 'Usage: arb_valgrind_1.x [-c ] [-f ] [-l [-r]] ' echo '' echo ' runs valgrind (versions 1.x) on piping results through a filter' echo ' so that the output can be used as emacs error messages' echo '' echo ' show stackframes (default: none)' echo ' [in fact they are always shown, but not marked as errors]' echo ' regexpr to filter the reason (default: all)' echo ' -l [-r] turn on leak-checking (-r for reachable blocks)' echo '' echo '' echo 'Usage: arb_valgrind update' echo '' echo ' Updates the source file list which is needed to create correct file refs.' echo ' Called automatically by normal use if list is missing.' echo ' Call if files are not highlighted as errors (i.e if you have new files).' echo '' echo 'Environment:' echo '' echo ' $ARBHOME a directory which has to contain a subdirectory SOURCE_TOOLS.' echo ' SOURCE_TOOLS has to contain valgrind2grep and has to be writeable for the user' echo '' echo ' $ARB_VALGRIND_SOURCE_ROOT down from here the script scans for sources' echo ' (defaults to $ARBHOME if empty)' echo '' echo 'Note: I use this from inside emacs as follows:' echo ' M-x compile' echo ' with:' echo ' (cd $ARBHOME;make nt) && arb_valgrind -l arb_ntree ~/ARB/demo.arb' echo '' else if [ -z $ARB_VALGRIND_SOURCE_ROOT ] ; then ARB_VALGRIND_SOURCE_ROOT=$ARBHOME fi DIR=$ARBHOME/SOURCE_TOOLS LIST=$DIR/valgrind2grep.lst UPDATE=0 RUN=0 CALLERS=0 FILTER='.*' LEAK_CHECK='' if [ ! -f $LIST ] ; then UPDATE=1 fi if [ $1 = "update" ] ; then UPDATE=1 else RUN=1 SCAN_ARGS=1 while [ $SCAN_ARGS = 1 ] ; do SCAN_ARGS=0 if [ $1 = '-c' ] ; then CALLERS=$2 shift 2 SCAN_ARGS=1 fi if [ $1 = '-f' ] ; then FILTER=$2 shift 2 SCAN_ARGS=1 fi if [ $1 = '-l' ] ; then LEAK_CHECK='--leak-check=yes --leak-resolution=high' shift 1 SCAN_ARGS=1 fi if [ $1 = '-r' ] ; then LEAK_CHECK="$LEAK_CHECK --show-reachable=yes" shift 1 SCAN_ARGS=1 fi done fi if [ $UPDATE = 1 ] ; then echo "Creating list of source files starting in $ARB_VALGRIND_SOURCE_ROOT ..." find $ARB_VALGRIND_SOURCE_ROOT -name "*.[ch]" -o -name "*.[ch]xx" -o -name "*.[ch]pp" -o -name "*.cc" -o -name "*.hh" > $LIST echo 'done.' fi if [ $RUN = 1 ] ; then echo "Running valgrind on '$*' ..." echo "CALLERS='$CALLERS'" echo "FILTER ='$FILTER'" valgrind -v --error-limit=no --num-callers=10 $SHOW_REACHABLE $LEAK_CHECK $* 2>&1 >/tmp/arb_valgrind_$USER.stdout | $DIR/valgrind2grep $CALLERS "$FILTER" echo 'valgrind done.' fi fi ./arbsrc_9167/SOURCE_TOOLS/arb_valgrind_2.x0000755012664100000130000001007011213220015020147 0ustar arb_buildcoders#!/bin/bash if [ -z $1 ] ; then echo '' echo 'Usage: arb_valgrind [-m] [-c ] [-f ] [-l [-r]] [-A] ' echo '' echo ' runs valgrind (versions 2.x) on piping results through a filter' echo ' so that the output can be used as emacs error messages' echo '' echo ' -m use memcheck (default uses addrcheck)' echo ' -c show stackframes (default: none)' echo ' [in fact they are always shown, but not marked as errors]' echo ' -f regexpr to filter the reason (default: all)' echo ' -l [-r] turn on leak-checking (-r for reachable blocks)' echo ' -A show known boring errors (most Xt/Motif-related)' echo '' echo '' echo 'Usage: arb_valgrind update' echo '' echo ' Updates the source file list which is needed to create correct file refs.' echo ' Called automatically by normal use if list is missing.' echo ' Call if files are not highlighted as errors (i.e if you have new files).' echo '' echo 'Environment:' echo '' echo ' $ARBHOME a directory which has to contain a subdirectory SOURCE_TOOLS.' echo ' SOURCE_TOOLS has to contain valgrind2grep and has to be writeable for the user' echo '' echo ' $ARB_VALGRIND_SOURCE_ROOT down from here the script scans for sources' echo ' (defaults to $ARBHOME if empty)' echo '' echo 'Note: I use this from inside emacs as follows:' echo ' M-x compile' echo ' with:' echo ' (cd $ARBHOME;make nt) && arb_valgrind -l arb_ntree ~/ARB/demo.arb' echo '' else if [ -z $ARB_VALGRIND_SOURCE_ROOT ] ; then ARB_VALGRIND_SOURCE_ROOT=$ARBHOME fi DIR=$ARBHOME/SOURCE_TOOLS LIST=$DIR/valgrind2grep.lst UPDATE=0 RUN=0 CALLERS=0 SUPPX='--suppress-common' FILTER='.*' LEAK_CHECK='' TOOL='--tool=addrcheck' if [ ! -f $LIST ] ; then UPDATE=1 fi if [ $1 = "update" ] ; then UPDATE=1 else RUN=1 SCAN_ARGS=1 while [ $SCAN_ARGS = 1 ] ; do SCAN_ARGS=0 if [ $1 = '-m' ] ; then TOOL='--tool=memcheck' shift 1 SCAN_ARGS=1 fi if [ $1 = '-c' ] ; then CALLERS=$2 shift 2 SCAN_ARGS=1 fi if [ $1 = '-f' ] ; then FILTER=$2 shift 2 SCAN_ARGS=1 fi if [ $1 = '-l' ] ; then LEAK_CHECK='--leak-check=yes --leak-resolution=high' shift 1 SCAN_ARGS=1 fi if [ $1 = '-r' ] ; then LEAK_CHECK="$LEAK_CHECK --show-reachable=yes" shift 1 SCAN_ARGS=1 fi if [ $1 = '-X' ] ; then SUPPX='' shift 1 SCAN_ARGS=1 fi done fi if [ $UPDATE = 1 ] ; then echo "Creating list of source files starting in $ARB_VALGRIND_SOURCE_ROOT ..." find $ARB_VALGRIND_SOURCE_ROOT \! -path "*\{arch\}*" -a \ \( -name "*.[ch]" -o \ -name "*.[ch]xx" -o \ -name "*.[ch]pp" -o \ -name "*.cc" -o \ -name "*.hh" \) \ > $LIST echo 'done.' fi if [ $RUN = 1 ] ; then echo "Running valgrind on '$*' ..." echo "CALLERS='$CALLERS'" echo "FILTER ='$FILTER'" VG_CALLERS=$[$CALLERS+5] valgrind --tool=memcheck -v --error-limit=no --num-callers=$VG_CALLERS $SHOW_REACHABLE $LEAK_CHECK $* 2>&1 >/tmp/arb_valgrind_$USER.stdout | $DIR/valgrind2grep $CALLERS "$FILTER" $SUPPX echo 'valgrind done.' fi fi ./arbsrc_9167/SOURCE_TOOLS/binuptodate.pl0000755012664100000130000000363311213220015017765 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; my $args = @ARGV; if ($args==0) { die "Usage: binuptodate.pl target [sources]+\n"; } my $target = $ARGV[0]; my $arbhome = $ENV{'ARBHOME'}; (-d $arbhome) || die "\$arbhome has to contain the name of a directory.\n"; my $target_date = -1; sub filedate($) { my $filename = $_[0]; my @stat_res = stat($filename); return($stat_res[9]); # the files modification date } sub ok_if_older($) { my $filename = $_[0]; } sub first_existing(@) { my $idx = 0; my $count = @_; while ($idx<$count) { if (-f $_[$idx]) { return($_[$idx]); } $idx++; } return undef; } sub uptodate() { print STDERR "-------------------- Checking $target\n"; (-f $target) || die "Target '$target' not found\n"; my $source_idx = 1; $target_date = filedate($target); while ($source_idx<$args) { my $source = $ARGV[$source_idx]; if ($source =~ /^\-l/) { # handle libs specified with -l my $libbase = $'; my $fulllib = first_existing(( $arbhome.'/LIBLINK/lib'.$libbase.'.a', $arbhome.'/LIBLINK/lib'.$libbase.'.so', )); if (not defined $fulllib) { # print STDERR "can't detect where '$source' resides -- ignoring this dependency\n"; $source = undef; } else { # print STDERR "fulllib='$fulllib'\n"; $source=$fulllib; } } elsif ($source =~ /^\-L/) { $source = undef; } if (defined $source) { (-f $source) || die "Source missing: $source\n"; my $source_date = filedate($source); ($source_date <= $target_date) || die "Changed source: $source (".localtime($source_date).")\n"; } $source_idx++; } } eval { uptodate(); }; if ($@) { print STDERR "$@-> rebuilding $target (".localtime($target_date).")\n"; exit(1); } print STDERR "$target is up-to-date.\n"; exit(0); ./arbsrc_9167/SOURCE_TOOLS/build_info.pl0000755012664100000130000001317611440743001017573 0ustar arb_buildcoders#!/usr/bin/perl # create/update build info into # $ARBHOME/TEMPLATES/arb_build.h and # $ARBHOME/TEMPLATES/svn_revision.h # -------------------------------------------------------------------------------- my $dump = 1; # -------------------------------------------------------------------------------- my $ARBHOME = $ENV{ARBHOME}; if (not defined $ARBHOME) { die "ARBHOME undefined"; } if ((not -d $ARBHOME) or (not -f $ARBHOME.'/arb_LICENSE.txt')) { die "ARBHOME ('$ARBHOME') must point to ARB build directory"; } my $TEMPLATES = $ARBHOME.'/TEMPLATES'; if (not -d $TEMPLATES) { die "no such directory '$TEMPLATES'"; } my $SOURCE_TOOLS = $ARBHOME.'/SOURCE_TOOLS'; if (not -d $SOURCE_TOOLS) { die "no such directory '$SOURCE_TOOLS'"; } my $mv_if_diff = $SOURCE_TOOLS.'/mv_if_diff'; if (not -x $mv_if_diff) { die "no such skript '$mv_if_diff'"; } # -------------------------------------------------------------------------------- sub getHost() { my $host = $ENV{HOST}; my $hostname = $ENV{HOSTNAME}; my @hosts = (); if (defined $host) { push @hosts, $host; } if (defined $hostname) { push @hosts, $hostname; } if (scalar(@hosts)==0) { push @hosts, "unknownHost"; } @hosts = sort { length($b) <=> length($a); } @hosts; # sort longest first return $hosts[0]; } sub getUser() { my $user = $ENV{USER}; if (not defined $user) { $user = 'unknownUser'; } return $user; } sub update($\@) { my ($file,$content_r) = @_; my $tmp = $file.'.tmp'; open(TMP,'>'.$tmp) || die "can't write to '$tmp' (Reason: $!)"; foreach (@$content_r) { print TMP $_."\n"; } close(TMP); `$mv_if_diff '$tmp' '$file'`; } sub file2hash($\%$) { my ($file,$hash_r,$expectFile) = @_; if (open(FILE,'<'.$file)) { foreach () { chomp; if (/^([^=]+)=(.*)$/o) { $$hash_r{$1}=$2; } } close(FILE); } elsif ($expectFile==1) { die "can't read '$file' (Reason: $!)"; } } sub hash2file(\%$) { my ($hash_r,$file) = @_; open(FILE,'>'.$file) or die "can't write '$file' (Reason: $!)"; foreach (keys %$hash_r) { print FILE "$_=".$$hash_r{$_}."\n"; } close(FILE); } # -------------------------------------------------------------------------------- my $dot_build_info = $ENV{HOME}.'/.arb_build_info'; # default build info (may be overridden by ~/.arb_build_info) my %build_info = ( user => getUser(), host => getHost(), tag => 'private', allowVersionUpgrade => 0, showWhereBuild => 1, ); # read local settings file2hash($dot_build_info,%build_info,0); my $arb_build_h = $TEMPLATES.'/arb_build.h'; my $svn_revision_h = $TEMPLATES.'/svn_revision.h'; my $in_SVN = (-d $ARBHOME.'/.svn'); my $date = `date '+%d.%b.%Y'`; chomp($date); my $year = undef; if ($date =~ /\.([^\.]+)$/o) { $year = $1; } else { die "error parsing year from '$date'"; } # read version info my $version_info = $SOURCE_TOOLS.'/version_info'; my %version_info = (); file2hash($version_info,%version_info,1); # upgrade version? my $inc_major = $SOURCE_TOOLS.'/inc_major.stamp'; my $inc_minor = $SOURCE_TOOLS.'/inc_minor.stamp'; if ($in_SVN==1 and $build_info{allowVersionUpgrade}==1) { if (-f $inc_major or -f $inc_minor) { # version upgrade requested my $last_version_upgrade = $version_info{last_upgrade}; if (not defined $last_version_upgrade) { $last_version_upgrade = 0; } my $earliestNextUpgrade = $last_version_upgrade + (60*60); if (time>=$earliestNextUpgrade) { # do not upgrade version more than once per hour my $oldVersion = $version_info{MAJOR}.'.'.$version_info{MINOR}; if (-f $inc_major) { $version_info{MAJOR}++; $version_info{MINOR} = 0; } else { $version_info{MINOR}++; } my $newVersion = $version_info{MAJOR}.'.'.$version_info{MINOR}; print "Version upgraded from $oldVersion to $newVersion\n"; $version_info{last_upgrade}=time; # upgrade timestamp hash2file(%version_info,$version_info); my $command = "cd '$ARBHOME/SOURCE_TOOLS'; ". "svn commit version_info --non-interactive ". "--message 'Auto version upgrade to $newVersion by ".$build_info{user}.'@'.$build_info{host}."';". "( cd '$ARBHOME' ; svn update )"; # update revision of checkout in $ARBHOME `( $command )`; } else { print "Skipping version upgrade (last upgrade was ".(time-$last_version_upgrade)." seconds ago)\n"; } } } # remove requests -f $inc_minor && unlink($inc_minor); -f $inc_major && unlink($inc_major); my @arb_build = ( '#define ARB_VERSION_MAJOR "'.$version_info{MAJOR}.'"', '#define ARB_VERSION_MINOR "'.$version_info{MINOR}.'"', '#define ARB_VERSION_TAG "'.$build_info{tag}.'"', '#define ARB_BUILD_DATE "'.$date.'"', '#define ARB_BUILD_YEAR "'.$year.'"', '#define ARB_BUILD_HOST "'.$build_info{host}.'"', '#define ARB_BUILD_USER "'.$build_info{user}.'"', ); if ($build_info{showWhereBuild}!=0) { push @arb_build, '#define SHOW_WHERE_BUILD'; } update($arb_build_h,@arb_build); # update revision info? if ($in_SVN) { # in SVN checkout -> update revision info my $revision = `svnversion -n $ARBHOME`; my @svn_revision = ( '#define ARB_SVN_REVISION "'.$revision.'"', ); update($svn_revision_h,@svn_revision); } else { if (not -f $svn_revision_h) { die "Missing file '$svn_revision_h'"; } # use revision info as in source tarball } ./arbsrc_9167/SOURCE_TOOLS/check_ressources.pl0000755012664100000130000003722011440743001021007 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; # use diagnostics; # -------------------------------------------------------------------------------- my $ARBHOME = $ENV{ARBHOME}; if (not defined $ARBHOME) { die "Environmentvariable ARBHOME has be defined"; } if (not -d $ARBHOME) { die "ARBHOME ('$ARBHOME') does not point to a valid directory"; } # -------------------------------------------------------------------------------- my @pictures = (); # contains all .fig my @pixmaps = (); # contains all .bitmap, .xpm my @helpfiles = (); # contains all .help, .pdf, .pdf.gz, .ps, .ps.gz my %known = (); # contains all files contained in arrays above my %unknown = (); # contains all other files found in scanned directories my %picture = (); # key=subdir/name (as used in code), value=index into @pictures my %pixmap = (); # key=subdir/name (as used in code), value=index into @pixmaps my %helpfile = (); # key=subdir/name (as used in code), value=index into @helpfiles my %used = (); # key=file, value=1 -> used in code my %full2rel = (); # key=full ressource, value=relative ressource (w/o rootdir) my %rel2full = (); # opposite # -------------------------------------------------------------------------------- sub scanFiles(\@$$$$); sub scanFiles(\@$$$$) { my ($files_r,$dir,$mask,$recurse,$ignoreLinks) = @_; my $reg = qr/$mask/; my @subdirs = (); opendir(DIR,$dir) || die "can't read directory '$dir' (Reason: $!)"; foreach (readdir(DIR)) { if ($_ ne '.' and $_ ne '..') { my $full = $dir.'/'.$_; if (-d $full) { if (/unused/o) { print "Ignoring ressource directory '$full' (assuming it contains unused things)\n"; } elsif (not (/^.svn$/o or /^CVS$/o)) { push @subdirs, $full; } } else { if ($ignoreLinks==0 || not -l $full) { if ($_ =~ $reg) { push @$files_r, $full; $known{$full} = 1; if (defined $unknown{$full}) { delete $unknown{$full}; } } elsif (/^Makefile$/) { ; # ignore } elsif (not defined $known{$full}) { $unknown{$full} = 1; } } } } } closedir(DIR); if ($recurse==1) { foreach (@subdirs) { scanFiles(@$files_r, $_, $mask, $recurse, $ignoreLinks); } } } sub scanFilesAndIndex(\%\@$$$$) { my ($index_r,$files_r,$dir,$mask,$recurse,$ignoreLinks) = @_; scanFiles(@$files_r,$dir,$mask,$recurse,$ignoreLinks); my $len = length($dir)+1; # plus '/' my $count = scalar(@$files_r); for (my $c=0; $c<$count; $c++) { my $rel = substr($$files_r[$c], $len); $$index_r{$rel} = $c; # print "full='".$$files_r[$c]."' idx='$c' rel='$rel'\n"; } } sub scanExistingRessources() { scanFilesAndIndex(%picture, @pictures, $ARBHOME.'/lib/pictures', '.*\.(fig|vfont)$', 1, 0); scanFilesAndIndex(%pixmap, @pixmaps, $ARBHOME.'/lib/pixmaps', '.*\.(bitmap|xpm)$', 1, 0); # scanFilesAndIndex(%helpfile, @helpfiles, $ARBHOME.'/HELP_SOURCE/oldhelp', '.*\.(hlp|ps|pdf|ps\.gz|pdf\.gz)$', 1, 0); foreach (sort keys %unknown) { if (/readme[^\/]*$/i) { ; # ignore readme files } else { print "$_:0: Unhandled file in ressource directory\n"; } } foreach (keys %picture) { my $full = $pictures [$picture{$_}]; $full2rel{$full} = $_; } foreach (keys %pixmap) { my $full = $pixmaps [$pixmap{$_}]; $full2rel{$full} = $_; } foreach (keys %helpfile) { my $full = $helpfiles[$helpfile{$_}]; $full2rel{$full} = $_; } foreach (keys %full2rel) { $rel2full{$full2rel{$_}} = $_; } } # -------------------------------------------------------------------------------- my $reg_parser = qr/([\(\),\\\"\'\;\{]|\/\*|\/\/)/; my $reg_parse_dquotes = qr/(\\.|\")/; my $reg_parse_squotes = qr/(\\.|\')/; my $reg_parse_eoc = qr/\*\//; sub scanNextToken(\$\@\$); sub scanNextToken(\$\@\$) { my ($rest_r,$file_r,$lineNr_r) = @_; # scans for the next token (tokens are '(', ')', ',', ';' and '{') # and returns it together with it's prefix # modifies rest_r and lineNr_r # if no token is found until EOF, token will be 'undef' # reads over comments my $prefix = ''; my $match = undef; if ($$rest_r =~ $reg_parser) { my ($preTok,$tok) = ($`,$&); $$rest_r = $'; if ($tok eq '(' or $tok eq ')' or $tok eq ',' or $tok eq ';' or $tok eq '{') { # accept wanted tokens $prefix .= $preTok; $match = $tok; } elsif ($tok eq '\\') { # skip escaped chars $prefix .= $preTok.$tok.substr($$rest_r,0,1); $$rest_r = substr($$rest_r,1); } elsif ($tok eq '/*') { # skip /**/-comments $prefix .= $preTok; # print "prefix='$prefix' preTok='$preTok' rest_r='$$rest_r'\n"; my $found = 0; while ($found==0) { if ($$rest_r =~ $reg_parse_eoc) { # print "\$`='$`' \$&='$&' \$'='$''\n"; if (not $& eq '*/') { die "expected to see '*/', parsed '$&' from '$$rest_r' (this is a bug in check_ressources.pl!)"; } $$rest_r = $'; $found = 1; } else { $$rest_r = $$file_r[$$lineNr_r++]; chomp($$rest_r); # print "Continue in next line (while searching '*/'): '$$rest_r'\n"; if (not defined $$rest_r) { die "Unclosed '/*'"; } } } } elsif ($tok eq '//') { $prefix .= $preTok; $$rest_r = $$file_r[$$lineNr_r++]; chomp($$rest_r); # print "Continue in next line (skipping '//'): '$$rest_r'\n"; } elsif ($tok eq '"') { $prefix .= $preTok.$tok; my $closed_dquote = 0; while ($closed_dquote==0) { if ($$rest_r =~ $reg_parse_dquotes) { $prefix .= $`.$&; $$rest_r = $'; if ($& eq '"') { $closed_dquote = 1; } } else { die "Missing '\"'"; } } } elsif ($tok eq '\'') { $prefix .= $preTok.$tok; my $closed_squote = 0; while ($closed_squote==0) { if ($$rest_r =~ $reg_parse_squotes) { $prefix .= $`.$&; $$rest_r = $'; if ($& eq '\'') { $closed_squote = 1; } } else { die "Missing '\''"; } } } else { die "Unknown token '$tok'"; } if (not defined $match) { # continue my $nextPrefix; ($nextPrefix,$match) = scanNextToken($$rest_r, @$file_r, $$lineNr_r); $prefix .= $nextPrefix; } } else { $prefix .= $$rest_r; $$rest_r = $$file_r[$$lineNr_r++]; chomp($$rest_r); # print "Continue in next line: '$$rest_r'\n"; if (defined $$rest_r) { # not EOF yet my $p; ($p,$match) = scanNextToken($$rest_r,@$file_r,$$lineNr_r); $prefix .= $p; } } return ($prefix,$match); } sub scanParams($\@$\$) { my ($rest,$file_r,$lineNr,$calltype_r) = @_; $$calltype_r = 0; # no params my ($prefix,$token) = scanNextToken($rest,@$file_r,$lineNr); my @params = (); if ($token eq '(') { if (trim($prefix) ne '') { # print "Found prefix '$prefix' before potential parameter list - assume it's sth else\n"; } else { my $openParens = 1; my $prevPrefix = ''; while ($openParens>0) { ($prefix,$token) = scanNextToken($rest,@$file_r,$lineNr); my $seen_eop = 0; if (not defined $token) { die "EOF reached while scanning parameter list"; } elsif ($token eq ')') { $openParens--; if ($openParens==0) { $seen_eop = 1; } } elsif ($token eq '(') { $openParens++; } elsif ($token eq ',') { if ($openParens==1) { $seen_eop = 1; } } else { die "Unexpected token '$token' (behind '$prefix')"; } $prevPrefix .= $prefix; if ($seen_eop==1) { push @params, $prevPrefix; $prevPrefix = ''; } else { $prevPrefix .= $token; } } $$calltype_r = 1; ($prefix,$token) = scanNextToken($rest,@$file_r,$lineNr); if ($token eq ';') { $$calltype_r = 2; } elsif ($token eq '{') { $$calltype_r = 3; } else { print "unknown token behind call: '$token'\n"; } } } return @params; } sub trim($) { my ($str) = @_; $str =~ s/^\s+//g; $str =~ s/\s+$//g; return $str; } sub isQuoted($) { my ($str) = @_; if ($str =~ /^\"(.*)\"$/) { return $1; } return undef; } # -------------------------------------------------------------------------------- sub acceptAll($) { my ($res_param) = @_; return ($res_param); } sub isPGTres($) { my ($res_param) = @_; return ('pgt/'.$res_param); } sub isBitmapRef($) { my ($res_param) = @_; if ($res_param =~ /^#/) { return ($'); } return (); } sub isIconRes($) { my ($res_param) = @_; my $base = 'icons/'.$res_param; return ($base.'.xpm', $base.'.bitmap'); } # sub acceptExistingIconRes($) { # my ($res_param) = @_; # my $base = 'icons/'.$res_param; # my @res = (); # my $pm = $base.'.xpm'; if (defined $pixmap{$pm}) { push @res, $pm; } # $pm = $base.'.bitmap'; if (defined $pixmap{$pm}) { push @res, $pm; } # return @res; # } my @defs = ( # regexp for function, param numbers, expectInIndex, isRessource, [ qr/\bload_xfig\b/, [ 1 ], \%picture, \&acceptAll, ], [ qr/\bcreate_toggle\b/, [ -2, -3 ], \%pixmap, \&isBitmapRef, ], [ qr/\binsert_toggle\b/, [ 1 ], \%pixmap, \&isBitmapRef, ], [ qr/\bcreate_button\b/, [ 2 ], \%pixmap, \&isBitmapRef, ], [ qr/\bcreate_mode\b/, [ 2 ], \%pixmap, \&acceptAll, ], [ qr/\bAWMIMT\b/, [ 2 ], \%pixmap, \&isBitmapRef, ], [ qr/\binsert_menu_topic\b/, [ 2 ], \%pixmap, \&isBitmapRef, ], [ qr/\bPGT_LoadPixmap\b/, [ 1 ], \%pixmap, \&isPGTres, ], [ qr/\binit_root\b/, [ 1 ], \%pixmap, \&isIconRes, ], ); # - param numbers is [1..n] or [-1..-n] for optional params # - isRessource gets the unquoted potential ressource and # returns the plain ressource name or undef (if it's definitely no ressource) my $defs = scalar(@defs); my $errors = 0; my $LOC = 0; my $showSpecialWarnings = 0; sub scanCodeFile($) { my ($file) = @_; open(FILE,'<'.$file) || die "can't read '$file' (Reason: $!)"; my @file = ; my $flines = scalar(@file); unshift @file, undef; # line 0 my $lineNr = 0; eval { for ($lineNr=1; $lineNr<=$flines; $lineNr++) { my $line = $file[$lineNr]; # if ($line =~ /kernlin/io) { print "$file:$lineNr: Custom-Search: ".trim($line)."\n"; } # used to test this script for (my $d=0; $d<$defs; $d++) { my $def_r = $defs[$d]; my $reg = $$def_r[0]; if ($line =~ $reg) { my $rest = $'; my $match = $&; # print "reg='$reg'\n"; # print "$file:$lineNr: Match def #$d: $line"; chomp($rest); my $calltype; my @params = scanParams($rest,@file,$lineNr+1,$calltype); if ($calltype==2) { my $pnum_r = $$def_r[1]; my $pis = scalar(@$pnum_r); for (my $pi=0; $pi<$pis; $pi++) { # for all params referencing a ressource my $pnum = $$pnum_r[$pi]; my $param = $params[$pnum<0 ? -$pnum-1 : $pnum-1]; if (defined $param) { $param = trim($param); my $unquoted = isQuoted($param); if (defined $unquoted) { my $test_r = $$def_r[3]; my @unquoted = &$test_r($unquoted); # test if definitely NO ressource if (scalar(@unquoted)>0) { # possible ressource(s) my $idx_r = $$def_r[2]; # ressource index my $used = 0; UNQUOTED: foreach my $unquoted (@unquoted) { my $full_ressource_idx = $$idx_r{$unquoted}; if (defined $full_ressource_idx) { # existing ressource my $full_ressource = $rel2full{$unquoted}; if (not defined $full_ressource) { die "expected ressource '$unquoted' to be defined"; } $used{$full_ressource} = 1; $used = 1; last UNQUOTED; } } if ($used==0) { print "$file:$lineNr: Error: Ressource '".$unquoted[0]."' is missing\n"; } } } else { if ($showSpecialWarnings==1) { print "$file:$lineNr: Warning: Param '$param' is not an explicit ressource, can't check\n"; # print "Params:\n"; foreach (@params) { print "- param='$_'\n"; } } } } else { if ($pnum>0) { print "$file:$lineNr: Warning: Param #$pnum is missing, can't check\n"; } } } } else { if ($showSpecialWarnings==1 and $calltype!=3) { # don't warn about function definition print "$file:$lineNr: Warning: Matched '$match', but wrong calltype (=$calltype)\n"; } } } } } }; if ($@) { print "$file:$lineNr: Error: $@\n"; $errors++; # if ($@ =~ /enough/) { die "enough"; } } close(FILE); $LOC += $flines; } sub scanCodeFile_forUnuseds($\$\%) { my ($file,$reg_r,$seen_r) = @_; open(FILE,'<'.$file) || die "can't read '$file' (Reason: $!)"; my @file = ; my $flines = scalar(@file); unshift @file, undef; # line 0 my $lineNr = 0; for ($lineNr=1; $lineNr<=$flines; $lineNr++) { my $line = $file[$lineNr]; while ($line =~ $$reg_r) { my $res = $&; # print "$file:$lineNr: Warning: Checker failed to detect potential usage of ressource '$res'\n"; my $seen = $$seen_r{$res}; if (defined $seen) { $seen .= ",$file:$lineNr"; } else { $seen = "$file:$lineNr"; } $$seen_r{$res} = $seen; $line = $'; } } close(FILE); } sub scanCode() { my @sources = (); { my %oldKnown = %known; scanFiles(@sources, $ARBHOME, '\.[ch](xx|pp){0,1}$', 1, 1); # destroys %known and %unknown print 'Checking '.scalar(@sources)." source files.\n"; %known = %oldKnown; %unknown = (); } @sources = sort @sources; foreach (@sources) { scanCodeFile($_); } print "Scanned $LOC LOC.\n"; my %unused = (); foreach (sort keys %known) { if (not defined $used{$_}) { $unused{$_} = 1; } } my $unused = scalar(keys %unused); if ($unused>0) { print "Detected $unused unused ressources.\nRunning brute force scan..\n"; my $reg_unused = ''; foreach (keys %unused) { $reg_unused .= '|'.quotemeta($full2rel{$_}); } $reg_unused = substr($reg_unused,1); print "reg_unused='$reg_unused'\n"; $reg_unused = qr/$reg_unused/; my %seen_unused = (); foreach (@sources) { scanCodeFile_forUnuseds($_,$reg_unused, %seen_unused); } foreach (sort keys %unused) { my $rel = $full2rel{$_}; my $seen = $seen_unused{$rel}; if (defined $seen) { print "$_:0: Warning: Checker failed to detect ressource usage\n"; my @seen = split(',',$seen); my %seen = map { $_ => 1; } @seen; foreach (sort keys %seen) { print "$_: Warning: '$rel' possibly used here\n"; } } else { print "$_:0: Error: Ressource is most likely unused\n"; } } } } sub main() { print "Checking ARB ressources\n"; scanExistingRessources(); print ' - '.scalar(@pictures)." pictures\n"; print ' - '.scalar(@pixmaps)." images\n"; print ' - '.scalar(@helpfiles)." helpfiles\n"; scanCode(); if ($errors>0) { die "$errors errors detected by ressource checker\n"; } } main(); ./arbsrc_9167/SOURCE_TOOLS/check_same_gcc_version.pl0000755012664100000130000000265411213220015022114 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; my $extension = 'last_gcc'; my $args = @ARGV; if ($args==0) { die "Usage: check_same_gcc_version.pl version\n"; } my $version = $ARGV[0]; my $arbhome = $ENV{'ARBHOME'}; (-d $arbhome) || die "\$arbhome has to contain the name of a directory.\n"; opendir(ARBHOME,$arbhome) || die "can't read directory '$arbhome' (Reason: $!)"; my @found_version_files = (); foreach (readdir(ARBHOME)) { if (/\.$extension$/ig) { push @found_version_files, $_; } } closedir(ARBHOME); my $result = 0; my $found = scalar(@found_version_files); if ($found == 0) { # first compilation -> create file my $flagfile = $arbhome.'/'.$version.'.'.$extension; open(FLAG,">$flagfile") || die "can't create '$flagfile' (Reason: $!)"; print FLAG "- The last compilation was done using gcc '$version'.\n"; close(FLAG); } elsif ($found != 1) { die "Multiple gcc version files were found -- 'make rebuild' is your friend"; } else { my $lastVersion = $found_version_files[0]; if ($lastVersion ne "$version.$extension") { my $command = "cat $lastVersion"; system("$command") ==0 || die "can't execute '$command' (Reason: $!)"; print "- Your current gcc version is '$version'.\n"; print "Use 'make rebuild' to recompile with a different gcc version or\n"; print "use 'make clean' to cleanup build and then compile again.\n"; $result = 1; } } exit($result); ./arbsrc_9167/SOURCE_TOOLS/docs/newick_doc.html0000644012664100000130000000442611213220015021033 0ustar arb_buildcoders "Newick's 8:45" Tree Format Standard
                                                  Thursday, August 30, 1990
    
    
    Gary Olsen's Interpretation of the "Newick's 8:45" Tree Format Standard
    
    (Here is the reason for the Newick name) 
    
    Conventions:
       Items in { } may appear zero or more times.
       Items in [ ] are optional, they may appear once or not at all.
       All other punctuation marks (colon, semicolon, parentheses, comma and
             single quote) are required parts of the format.
    
    
                  tree ==> descendant_list [ root_label ] [ : branch_length ] ;
    
       descendant_list ==> ( subtree { , subtree } )
    
               subtree ==> descendant_list [internal_node_label] [: branch_length]
                       ==> leaf_label [: branch_length]
    
                root_label ==> label
       internal_node_label ==> label
                leaf_label ==> label
    
                     label ==> unquoted_label
                           ==> quoted_label
    
            unquoted_label ==> string_of_printing_characters
              quoted_label ==> ' string_of_printing_characters '
    
             branch_length ==> signed_number
                           ==> unsigned_number
    
    
    Notes:
       Unquoted labels may not contain blanks, parentheses, square brackets,
            single_quotes, colons, semicolons, or commas.
       Underscore characters in unquoted labels are converted to blanks.
       Single quote characters in a quoted label are represented by two single
            quotes.
       Blanks or tabs may appear anywhere except within unquoted labels or
            branch_lengths.
       Newlines may appear anywhere except within labels or branch_lengths.
       Comments are enclosed in square brackets and may appear anywhere
            newlines are permitted.
    
    
    Other notes:
       PAUP (David Swofford) allows nesting of comments.
       TreeAlign (Jotun Hein) writes a root node branch length (with a value of
            0.0).
       PHYLIP (Joseph Felsenstein) requires that an unrooted tree begin with a
            trifurcation; it will not "uproot" a rooted tree.
    
    
    Example:
    
       (((One:0.2,Two:0.3):0.3,(Three:0.5,Four:0.3):0.2):0.3,Five:0.7):0.0;
    
               +-+ One
            +--+
            |  +--+ Two
         +--+
         |  |  +----+ Three
         |  +--+
         |     +--+ Four
         +
         +------+ Five
    
    
    ./arbsrc_9167/SOURCE_TOOLS/export2sub0000644012664100000130000000115012050705371017154 0ustar arb_buildcoders# -*-Mode: Makefile;-*- # # -------------------------------------------------------------------------------- # variables listed here are automatically exported to sub-makefiles export ARBHOME export DEBUG export OPENGL export MACH export DEBIAN export DARWIN export ACC ACCLIB AINCLUDES export CPP CPPLIB CPPINCLUDES export POST_COMPILE export LD_LIBRARY_PATH LIBPATH SYSLIBS export XLIBS #XHOME export LINK_EXECUTABLE LINK_STATIC_LIB LINK_SHARED_LIB SHARED_LIB_SUFFIX export MAKEDEPENDFLAGS MAKEDEPEND export SEP # support for clang static checker export CLANG_STATIC_CHECKER export CCC_ANALYZER_CPLUSPLUS ./arbsrc_9167/SOURCE_TOOLS/find_newest_source.pl0000755012664100000130000001535511213220015021340 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; use diagnostics; # -------------------------------------------------------------------------------- # skip files with the following extensions: my @boring_extensions = ( 'o', 'a', 'so', 'gz', 'tgz', 'class', 'jar', 'elc', 'lnk', ); # skip files with the following names: my @boring_files = ( '.cvsignore', 'TAGS', ); # skip directories with the following full names: my @boring_dirs = ( 'bin', ); # skip sub-directories with the following names: my @boring_subdirs = ( 'CVS', '.svn', ); my @boring_namematches = ( qr/^\#.*\#$/, # emacs autosaves qr/^\.\#.*\.[0-9]+\.[0-9]+$/, # old cvs revisions ); my @boring_fullmatches = ( ); my $max_print = 1000; # max lines to print # -------------------------------------------------------------------------------- my $ARBHOME = $ENV{'ARBHOME'}; if (defined $ARBHOME) { push @boring_extensions, 'genmenu'; push @boring_extensions, 'stamp'; push @boring_extensions, 'depends'; push @boring_extensions, 'last_gcc'; push @boring_fullmatches, qr/$ARBHOME\/lib\/ARB\.pm$/; push @boring_fullmatches, qr/$ARBHOME\/PERL2ARB\/.*ARB\.(bs|xs|c|3pm)$/; push @boring_fullmatches, qr/$ARBHOME\/PERL2ARB\/(debug|proto)\.h$/; push @boring_fullmatches, qr/$ARBHOME\/PERL2ARB\/Makefile$/; push @boring_fullmatches, qr/$ARBHOME\/TEMPLATES\/arb_build\.h$/; push @boring_fullmatches, qr/$ARBHOME\/HELP_SOURCE\/(date\.xsl|html\.list|_index\.html)$/; push @boring_fullmatches, qr/$ARBHOME\/AISC\/aisc$/; push @boring_fullmatches, qr/$ARBHOME\/AISC_MKPTPS\/aisc_mkpt$/; push @boring_fullmatches, qr/$ARBHOME\/.*\/GEN[CH]\//; push @boring_fullmatches, qr/$ARBHOME\/GDEHELP\/(helpfiles\.lst|ARB_GDEmenus)$/; push @boring_dirs, $ARBHOME.'/PROBE_SERVER/bin'; push @boring_dirs, $ARBHOME.'/PROBE_SET/bin'; push @boring_dirs, $ARBHOME.'/ARB_SOURCE_DOC'; push @boring_dirs, $ARBHOME.'/HELP_SOURCE/Xml'; push @boring_dirs, $ARBHOME.'/HELP_SOURCE/genhelp'; push @boring_dirs, $ARBHOME.'/GDEHELP/HELP_GEN'; push @boring_dirs, $ARBHOME.'/GDEHELP/HELP_DOC_GEN'; push @boring_dirs, $ARBHOME.'/lib/help'; push @boring_dirs, $ARBHOME.'/lib/help_html'; push @boring_dirs, $ARBHOME.'/bin'; } # -------------------------------------------------------------------------------- my @files = (); my %boring_extensions = map { $_ => 1; } @boring_extensions; my %boring_files = map { $_ => 1; } @boring_files; my %boring_subdirs = map { $_ => 1; } @boring_subdirs; my %boring_dirs = map { $_ => 1; } @boring_dirs; sub scan_tree_recursive($); sub scan_tree_recursive($) { my ($dir) = @_; # print "scan_tree_recursive '$dir'\n"; opendir(DIR,$dir) || die "can't read directory '$dir'"; my @subdirs = (); foreach (readdir(DIR)) { if (not /^[.]+$/o) { # ignore curr- and up-dir my $fullname = $dir.'/'.$_; if (not -l $fullname) { # ignore links if (-d $fullname) { if (not exists $boring_subdirs{$_} and not exists $boring_dirs{$fullname}) { push @subdirs, $fullname; } } else { my $skip = 0; if (exists $boring_files{$_}) { $skip = 1; } elsif (/\.([^\.]+)$/ and exists $boring_extensions{$1}) { $skip = 1; } else { my $name = $_; TEST1: foreach (@boring_namematches) { if ($name =~ $_) { $skip = 1; last TEST1; } } if ($skip==0) { TEST2: foreach (@boring_fullmatches) { if ($fullname =~ $_) { $skip = 1; last TEST2; } } } } if ($skip==0) { push @files, $fullname; } } } } } closedir(DIR); foreach (@subdirs) { scan_tree_recursive($_); } } my $equality = '================'; my $reg_parse_part = qr/^([ :]*)([^ :]+)/; sub diff2last_rec($$); sub diff2last_rec($$) { my ($this,$last) = @_; if (not $this =~ $reg_parse_part) { if ($this =~ /^[ ]*$/) { return $this; } die "can't parse '$this'"; } my ($this_space, $this_part, $this_rest) = ($1,$2,$'); if (not $last =~ $reg_parse_part) { die "can't parse '$this'"; } my ($last_space, $last_part, $last_rest) = ($1,$2,$'); my $part; if ($this_part eq $last_part) { $part = substr($equality, 1, length($this_part)); } else { # print "'$this_part' ne '$last_part'\n"; $part = $this_part; } return $this_space.$part.diff2last_rec($this_rest, $last_rest); } my $lastMod = undef; sub diff2last($) { my ($mod) = @_; if (defined $lastMod) { my $newmod = diff2last_rec($mod, $lastMod); $lastMod = $mod; $mod = $newmod; } else { $lastMod = $mod; } return $mod; } sub max($$) { my ($a,$b) = @_; return $a if $a>$b; return $b; } sub readable_age($) { my ($modtime) = @_; my $age = time - $modtime; if ($age<60) { return $age.'s'; } $age = int($age/60); if ($age<60) { return $age.'m'; } $age = int($age/60); if ($age<24) { return $age.'h'; } $age = int($age/24); if ($age<14) { return $age.'d'; } my $weeks = int($age/7); if ($weeks<9) { return $weeks.'w'; } my $months = int($age/30); if ($months<12) { return $months.'M'; } my $years = int($age/365); return $years.'Y'; } sub perform_search() { my $root = `pwd`; chomp($root); $root =~ s/[\/\\]+$//g; scan_tree_recursive($root); my %filedate = (); my $del = length($root)+1; @files = map { substr($_,$del); } @files; foreach (@files) { my $modtime = (stat($_))[9]; if (not defined $modtime) { die "Can't stat file '$_'"; } $filedate{$_} = $modtime; # print scalar(localtime($modtime))." $_\n"; } my @sorted = sort { $filedate{$b} <=> $filedate{$a}; } @files; if (scalar(@sorted)<$max_print) { $max_print=scalar(@sorted); } my $maxlen = 0; foreach (my $i=0; $i<$max_print; ++$i) { my $len = length($sorted[$i]); if ($len > $maxlen) { $maxlen = $len; } } my $spacer = " "; while (length($spacer) < $maxlen) { $spacer .= $spacer; } print "find_newest_source: Entering directory `$root'\n"; foreach (my $i=0; $i<$max_print; ++$i) { $_ = $sorted[$i]; my $len = length($_); print "$_:1: ".substr($spacer,0,max($maxlen-$len,0)). "mod: ".diff2last(scalar(localtime($filedate{$_}))). " [ ".sprintf("%3s",readable_age($filedate{$_}))." ]\n"; } print "find_newest_source: Leaving directory `$root'\n"; } perform_search(); ./arbsrc_9167/SOURCE_TOOLS/fix_depends.pl0000755012664100000130000000512211440743001017741 0ustar arb_buildcoders#!/usr/bin/perl -w # # This script parses and fixes dependency lines in Makefiles: # 1. Searches for a line containing '# DO NOT DELETE' # 2. Lines after that point are modified like follows: # a. hardcoded directory path to $ARBHOME (environment variable) # is replaced by '$(ARBHOME)' # b. split lines with multiple dependencies # c. sort lines # # Goal of this script is to unify the result of 'make depends' # to avoid CVS/SVN changes caused by formatting. my $arbhome = qr/$ENV{ARBHOME}/; my $makedependlineseen = 0; my @depends; if (0) { foreach (<>) { print "ALL: $_"; } die "done"; } sub fix_name($) { my ($name) = @_; $name =~ s/^$arbhome/\$\(ARBHOME\)/ig; # translate $ARBHOME $name =~ s/^.\///ig; # remove './' at start # ensure there's a / behind '$(ARBHOME)' if ($name =~ /\$\(ARBHOME\)[^\/]/) { $name =~ s/\$\(ARBHOME\)/\$\(ARBHOME\)\//ig; } $name; } # read input stream foreach (<>) { if ($makedependlineseen==0) { # simply forward lines before 'DO NOT DELETE' print "$_"; if (/^\# DO NOT DELETE/) { $makedependlineseen = 1; } } else { # put lines behind into '@depends' chomp; if (/^ *[\/\$a-z]/i) { if (/^([^:]*): *(.*)$/) { my $file = $1; my $depends_on = $2; $file = fix_name($file); while ($depends_on =~ / /) { # split lines with multiple dependencies my $name = $`; my $rest = $'; $name = fix_name($name); push @depends, "$file: $name"; $depends_on = $rest; } $depends_on = fix_name($depends_on); $_ = "$file: $depends_on"; } push @depends,$_; } } } print "\n# Do not add dependencies manually - use 'make depend' in \$ARBHOME\n"; print "# For formatting issues see SOURCE_TOOLS/fix_depends.pl\n"; # sort dependency lines sub beautiful($$) { # sorts files alphabethically (ign. case) # sorts local dependencies first (for each file) my ($a,$b) = @_; my ($ap,$bp) = ('',''); ($a,$b) = (lc($a),lc($b)); if ($a =~ /^[^:]*:/) { $ap = $&; } if ($b =~ /^[^:]*:/) { $bp = $&; } my $res = $ap cmp $bp; if ($res == 0) { if ($a =~ /\$/) { if ($b =~ /\$/) { $a cmp $b; } else { 1; } } else { if ($b =~ /\$/) { -1; } else { $a cmp $b; } } } else { $res; } } @depends = sort beautiful @depends; # print dependency lines my $prefix = ''; foreach (@depends) { my $tprefix = ''; if (/^([^:]*):/) { $tprefix = $1; } if ($tprefix ne $prefix) { print "\n"; # empty line between different files $prefix = $tprefix; } print "$_\n"; } ./arbsrc_9167/SOURCE_TOOLS/generate_all_links.sh0000755012664100000130000003063511440743001021301 0ustar arb_buildcoders#!/bin/bash SELF=$ARBHOME/SOURCE_TOOLS/generate_all_links.sh finderr() { FOUND=`grep -Hn "$1" $SELF` if [ -z $FOUND ]; then echo "$SELF:8: $2 ($1 not located -- search manually)" else echo "$FOUND $2" fi false } symlink_maybe_no_target() { test -h $2 || ln -sf $1 $2 || finderr $2 "Failed to link '$1->$2'" } symlink() { if [ -z $2 ]; then if [ -z $1 ]; then echo "$SELF:22: Missing arguments in call to symlink()" exit 1 else finderr $1 "Second argument missing in call to symlink()" exit 1 fi fi DIR=`dirname $2` if [ -z $DIR ]; then DIR=. fi (test -e $DIR/$1 || finderr $1 "Target '$DIR/$1 does not exists (anymore)" ) && (test -e $2 || (test -h $2 && (finderr $2 "Warning Symlink '$2' points to nowhere -- removing wrong link";ls -al $2;rm $2;true) ) || true) && symlink_maybe_no_target $1 $2 } arbdb_symlink() { symlink ../ARBDB/$1 ARBDBS/$1 && symlink ../ARBDB/$1 ARBDB2/$1 } makedir() { mkdir -p $1 || finderr $1 "Failed to create directory '$1'" } # Generates some directories as well: makedir INCLUDE && makedir INCLUDE/GL && makedir NAMES_COM/GENC && makedir NAMES_COM/GENH && makedir NAMES_COM/O && makedir PROBE_COM/GENC && makedir PROBE_COM/GENH && makedir PROBE_COM/O && makedir LIBLINK && makedir MAKEBIN && makedir lib/help && (test -d lib/pts || makedir lib/pts) && # Liblink # symlink ../ARBDB/libARBDB.sl LIBLINK/libARBDB.sl symlink_maybe_no_target ../ARBDB/libARBDB.so LIBLINK/libARBDB.so && symlink_maybe_no_target ../ARBDB/libARBDB.so.2.0 LIBLINK/libARBDB.so.2.0 && symlink_maybe_no_target ../ARBDB2/libARBDB.a LIBLINK/libARBDO.a && # symlink ../ARBDB2/libARBDB.sl LIBLINK/libARBDO.sl symlink_maybe_no_target ../ARBDB2/libARBDB.so LIBLINK/libARBDO.so && symlink_maybe_no_target ../ARBDB2/libARBDB.so.2.0 LIBLINK/libARBDO.so.2.0 && symlink_maybe_no_target ../ARBDBPP/libARBDBPP.a LIBLINK/libARBDBPP.a && # symlink ../ARBDBPP/libARBDBPP.sl LIBLINK/libARBDBPP.sl symlink_maybe_no_target ../ARBDBPP/libARBDBPP.so LIBLINK/libARBDBPP.so && symlink_maybe_no_target ../ARBDBPP/libARBDBPP.so.2.0 LIBLINK/libARBDBPP.so.2.0 && symlink_maybe_no_target ../ARBDBS/libARBDB.a LIBLINK/libARBDB.a && symlink_maybe_no_target ../AWT/libAWT.a LIBLINK/libAWT.a && # symlink ../AWT/libAWT.sl LIBLINK/libAWT.sl symlink_maybe_no_target ../AWT/libAWT.so LIBLINK/libAWT.so && symlink_maybe_no_target ../AWT/libAWT.so.2.0 LIBLINK/libAWT.so.2.0 && symlink_maybe_no_target ../WINDOW/libAW.a LIBLINK/libAW.a && # symlink ../WINDOW/libAW.sl LIBLINK/libAW.sl symlink_maybe_no_target ../WINDOW/libAW.so LIBLINK/libAW.so && symlink_maybe_no_target ../WINDOW/libAW.so.2.0 LIBLINK/libAW.so.2.0 && # Motif stuff (test -z $MOTIF_LIBPATH || symlink $MOTIF_LIBPATH LIBLINK/libXm.so.3) && # Links in bin directory ( cd bin ; make all; cd .. ) && # ...COMS symlink ../AISC_COM/AISC NAMES_COM/AISC && symlink ../AISC_COM/C NAMES_COM/C && symlink_maybe_no_target GENH/aisc_com.h NAMES_COM/names_client.h && symlink_maybe_no_target GENH/aisc_server_proto.h NAMES_COM/names_prototypes.h && symlink_maybe_no_target GENH/aisc.h NAMES_COM/names_server.h && symlink ../AISC_COM/AISC PROBE_COM/AISC && symlink ../AISC_COM/C PROBE_COM/C && symlink_maybe_no_target GENH/aisc_com.h PROBE_COM/PT_com.h && symlink_maybe_no_target GENH/aisc_server_proto.h PROBE_COM/PT_server_prototypes.h && symlink_maybe_no_target GENH/aisc.h PROBE_COM/PT_server.h && # TEMPLATES directory symlink ../TEMPLATES/SIG_PF.h INCLUDE/SIG_PF.h && symlink ../TEMPLATES/arb_debug.h INCLUDE/arb_debug.h && symlink ../TEMPLATES/arb_version.h INCLUDE/arb_version.h && symlink ../TEMPLATES/arbtools.h INCLUDE/arbtools.h && symlink ../TEMPLATES/attributes.h INCLUDE/attributes.h && symlink ../TEMPLATES/config_parser.h INCLUDE/config_parser.h && symlink ../TEMPLATES/inline.h INCLUDE/inline.h && symlink ../TEMPLATES/output.h INCLUDE/output.h && symlink ../TEMPLATES/perf_timer.h INCLUDE/perf_timer.h && symlink ../TEMPLATES/smartptr.h INCLUDE/smartptr.h && symlink ../TEMPLATES/static_assert.h INCLUDE/static_assert.h && symlink_maybe_no_target ../TEMPLATES/arb_build.h INCLUDE/arb_build.h && symlink_maybe_no_target ../TEMPLATES/svn_revision.h INCLUDE/svn_revision.h && # INCLUDE directory symlink_maybe_no_target ../NAMES_COM/names_client.h INCLUDE/names_client.h && symlink_maybe_no_target ../NAMES_COM/names_prototypes.h INCLUDE/names_prototypes.h && symlink_maybe_no_target ../NAMES_COM/names_server.h INCLUDE/names_server.h && symlink_maybe_no_target ../PROBE_COM/PT_com.h INCLUDE/PT_com.h && symlink_maybe_no_target ../PROBE_COM/PT_server.h INCLUDE/PT_server.h && symlink_maybe_no_target ../PROBE_COM/PT_server_prototypes.h INCLUDE/PT_server_prototypes.h && symlink ../AISC_COM/C/aisc_func_types.h INCLUDE/aisc_func_types.h && symlink ../AISC_COM/C/client.h INCLUDE/client.h && symlink ../AISC_COM/C/client_privat.h INCLUDE/client_privat.h && symlink ../AISC_COM/C/server.h INCLUDE/server.h && symlink ../AISC_COM/C/struct_man.h INCLUDE/struct_man.h && symlink ../AISC_COM/C/aisc_global.h INCLUDE/aisc_global.h && symlink ../ARBDB/adGene.h INCLUDE/adGene.h && symlink ../ARBDB/ad_prot.h INCLUDE/ad_prot.h && symlink ../ARBDB/ad_config.h INCLUDE/ad_config.h && symlink ../ARBDB/ad_t_prot.h INCLUDE/ad_t_prot.h && symlink ../ARBDB/ad_k_prot.h INCLUDE/ad_k_prot.h && symlink ../ARBDB/arb_assert.h INCLUDE/arb_assert.h && symlink ../ARBDB/arbdb.h INCLUDE/arbdb.h && symlink ../ARBDB/arbdb_base.h INCLUDE/arbdb_base.h && symlink ../ARBDB/arbdbt.h INCLUDE/arbdbt.h && symlink ../ARBDBPP/adtools.hxx INCLUDE/adtools.hxx && symlink ../ARBDBPP/arbdb++.hxx INCLUDE/arbdb++.hxx && symlink ../ARB_GDE/gde.hxx INCLUDE/gde.hxx && symlink ../AWT/awt.hxx INCLUDE/awt.hxx && symlink ../AWT/awt_advice.hxx INCLUDE/awt_advice.hxx && symlink ../AWT/awt_asciiprint.hxx INCLUDE/awt_asciiprint.hxx && symlink ../AWT/awt_attributes.hxx INCLUDE/awt_attributes.hxx && symlink ../AWT/awt_canvas.hxx INCLUDE/awt_canvas.hxx && symlink ../AWT/awt_codon_table.hxx INCLUDE/awt_codon_table.hxx && symlink ../AWT/awt_config_manager.hxx INCLUDE/awt_config_manager.hxx && symlink ../AWT/awt_csp.hxx INCLUDE/awt_csp.hxx && symlink ../AWT/awt_dtree.hxx INCLUDE/awt_dtree.hxx && symlink ../AWT/awt_hotkeys.hxx INCLUDE/awt_hotkeys.hxx && symlink ../AWT/awt_input_mask.hxx INCLUDE/awt_input_mask.hxx && symlink ../AWT/awt_item_sel_list.hxx INCLUDE/awt_item_sel_list.hxx && symlink ../AWT/awt_iupac.hxx INCLUDE/awt_iupac.hxx && symlink ../AWT/awt_macro.hxx INCLUDE/awt_macro.hxx && symlink ../AWT/awt_map_key.hxx INCLUDE/awt_map_key.hxx && symlink ../AWT/awt_nds.hxx INCLUDE/awt_nds.hxx && symlink ../AWT/awt_preset.hxx INCLUDE/awt_preset.hxx && symlink ../AWT/awt_pro_a_nucs.hxx INCLUDE/awt_pro_a_nucs.hxx && symlink ../AWT/awt_sel_boxes.hxx INCLUDE/awt_sel_boxes.hxx && symlink ../AWT/awt_seq_colors.hxx INCLUDE/awt_seq_colors.hxx && symlink ../AWT/awt_seq_dna.hxx INCLUDE/awt_seq_dna.hxx && symlink ../AWT/awt_seq_protein.hxx INCLUDE/awt_seq_protein.hxx && symlink ../AWT/awt_seq_simple_pro.hxx INCLUDE/awt_seq_simple_pro.hxx && symlink ../AWT/awt_translate.hxx INCLUDE/awt_translate.hxx && symlink ../AWT/awt_tree.hxx INCLUDE/awt_tree.hxx && symlink ../AWT/awt_tree_cb.hxx INCLUDE/awt_tree_cb.hxx && symlink ../AWT/awt_tree_cmp.hxx INCLUDE/awt_tree_cmp.hxx && symlink ../AWT/awt_www.hxx INCLUDE/awt_www.hxx && symlink ../AWT/awtlocal.hxx INCLUDE/awtlocal.hxx && symlink ../AWTC/awtc_constructSequence.hxx INCLUDE/awtc_constructSequence.hxx && symlink ../AWTC/awtc_next_neighbours.hxx INCLUDE/awtc_next_neighbours.hxx && symlink ../AWTC/awtc_seq_search.hxx INCLUDE/awtc_seq_search.hxx && symlink ../AWTC/awtc_submission.hxx INCLUDE/awtc_submission.hxx && symlink ../AWTI/awti_export.hxx INCLUDE/awti_export.hxx && symlink ../AWTI/awti_import.hxx INCLUDE/awti_import.hxx && symlink ../BUGEX/bugex.h INCLUDE/bugex.h && symlink ../CONSENSUS_TREE/CT_ctree.hxx INCLUDE/CT_ctree.hxx && symlink ../DIST/dist.hxx INCLUDE/dist.hxx && symlink ../EDIT4/ed4_extern.hxx INCLUDE/ed4_extern.hxx && symlink ../GENOM/EXP.hxx INCLUDE/EXP.hxx && symlink ../GENOM/GEN.hxx INCLUDE/GEN.hxx && symlink ../GENOM_IMPORT/GenomeImport.h INCLUDE/GenomeImport.h && symlink ../ISLAND_HOPPING/island_hopping.h INCLUDE/island_hopping.h && symlink ../MERGE/mg_merge.hxx INCLUDE/mg_merge.hxx && symlink ../NTREE/ntree.hxx INCLUDE/ntree.hxx && symlink ../PRIMER_DESIGN/primer_design.hxx INCLUDE/primer_design.hxx && symlink ../PROBE_DESIGN/probe_design.hxx INCLUDE/probe_design.hxx && symlink ../SECEDIT/secedit_extern.hxx INCLUDE/secedit_extern.hxx && symlink ../SERVERCNTRL/servercntrl.h INCLUDE/servercntrl.h && symlink ../SEQ_QUALITY/seq_quality.h INCLUDE/seq_quality.h && symlink ../SL/AW_HELIX/AW_helix.hxx INCLUDE/AW_helix.hxx && symlink ../SL/AW_NAME/AW_rename.hxx INCLUDE/AW_rename.hxx && symlink ../SL/DB_SCANNER/db_scanner.hxx INCLUDE/db_scanner.hxx && symlink ../SL/FAST_ALIGNER/fast_aligner.hxx INCLUDE/fast_aligner.hxx && symlink ../SL/FILE_BUFFER/FileBuffer.h INCLUDE/FileBuffer.h && symlink ../SL/HELIX/BI_helix.hxx INCLUDE/BI_helix.hxx && symlink ../SL/REGEXPR/RegExpr.hxx INCLUDE/RegExpr.hxx && symlink ../SL/TREE_READ/TreeRead.h INCLUDE/TreeRead.h && symlink ../SL/TREE_WRITE/TreeWrite.h INCLUDE/TreeWrite.h && symlink ../STAT/st_window.hxx INCLUDE/st_window.hxx && symlink ../WINDOW/aw_awars.hxx INCLUDE/aw_awars.hxx && symlink ../WINDOW/aw_color_groups.hxx INCLUDE/aw_color_groups.hxx && symlink ../WINDOW/aw_device.hxx INCLUDE/aw_device.hxx && symlink ../WINDOW/aw_global_awars.hxx INCLUDE/aw_global_awars.hxx && symlink ../WINDOW/aw_keysym.hxx INCLUDE/aw_keysym.hxx && symlink ../WINDOW/aw_position.hxx INCLUDE/aw_position.hxx && symlink ../WINDOW/aw_preset.hxx INCLUDE/aw_preset.hxx && symlink ../WINDOW/aw_question.hxx INCLUDE/aw_question.hxx && symlink ../WINDOW/aw_root.hxx INCLUDE/aw_root.hxx && symlink ../WINDOW/aw_window.hxx INCLUDE/aw_window.hxx && symlink ../WINDOW/aw_global.hxx INCLUDE/aw_global.hxx && symlink ../WINDOW/aw_window_Xm_interface.hxx INCLUDE/aw_window_Xm_interface.hxx && symlink ../WINDOW/aw_font_group.hxx INCLUDE/aw_font_group.hxx && symlink ../XML/xml.hxx INCLUDE/xml.hxx && # gl stuff symlink ../../GL/glpng/glpng.h INCLUDE/GL/glpng.h && symlink ../../GL/glAW/aw_window_ogl.hxx INCLUDE/GL/aw_window_ogl.hxx && # arbdb dirs arbdb_symlink AD_MOBJECTS.h && arbdb_symlink adChangeKey.c && arbdb_symlink adExperiment.c && arbdb_symlink adGene.c && arbdb_symlink adGene.h && arbdb_symlink adRevCompl.c && arbdb_symlink adTest.c && arbdb_symlink ad_config.c && arbdb_symlink ad_config.h && arbdb_symlink ad_core.c && arbdb_symlink ad_load.c && arbdb_symlink ad_lpro.h && arbdb_symlink ad_prot.h && arbdb_symlink ad_save_load.c && arbdb_symlink ad_t_lpro.h && arbdb_symlink ad_t_prot.h && arbdb_symlink adcomm.c && arbdb_symlink adcompr.c && arbdb_symlink adhash.c && arbdb_symlink adhashtools.c && arbdb_symlink adindex.c && arbdb_symlink adlang1.c && arbdb_symlink adlink.c && arbdb_symlink adlmacros.h && arbdb_symlink adlocal.h && arbdb_symlink adlundo.h && arbdb_symlink admalloc.c && arbdb_symlink admap.c && arbdb_symlink admap.h && arbdb_symlink admatch.c && arbdb_symlink admath.c && arbdb_symlink adoptimize.c && arbdb_symlink adperl.c && arbdb_symlink adquery.c && arbdb_symlink adseqcompr.c && arbdb_symlink adsocket.c && arbdb_symlink adsort.c && arbdb_symlink adstring.c && arbdb_symlink adsystem.c && arbdb_symlink adtables.c && arbdb_symlink adtcp.c && arbdb_symlink adtools.c && arbdb_symlink adali.c && arbdb_symlink adcolumns.c && arbdb_symlink adtree.c && arbdb_symlink adname.c && arbdb_symlink aditem.c && arbdb_symlink adtune.c && arbdb_symlink adtune.h && arbdb_symlink arbdb.c && arbdb_symlink arbdb.h && arbdb_symlink arbdbpp.cxx && arbdb_symlink arbdbt.h && # small dirs symlink ../WINDOW/AW_preset.cxx AWT/AWT_preset.cxx && symlink ../WINDOW/aw_def.hxx AWT/aw_def.hxx && symlink ../EDIT/edit_naligner.cxx EDIT4/edit_naligner.cxx && symlink ../EDIT/edit_naligner.hxx EDIT4/edit_naligner.hxx && symlink ../LIBLINK NALIGNER/LIBLINK && symlink ../LIBLINK TOOLS/LIBLINK && symlink_maybe_no_target ../AISC/aisc MAKEBIN/aisc && symlink_maybe_no_target ../AISC_MKPTPS/aisc_mkpt MAKEBIN/aisc_mkpt && # help files (make sure the file is present in user distribution!) symlink_maybe_no_target ../help/input_mask_format.hlp lib/inputMasks/format.readme && symlink ../../GDEHELP lib/help/GDEHELP && echo "generate_all_links.sh done." ./arbsrc_9167/SOURCE_TOOLS/grepx.pl0000755012664100000130000006235611440743001016612 0ustar arb_buildcoders#!/usr/bin/perl # ======================================================================== # # # # File : grepx.pl # # Purpose : Replacement for grep (used from emacs) # # # # (C) November 2005 by Ralf Westram # # # # Permission to use, copy, modify, distribute and sell this software # # and its documentation for any purpose is hereby granted without fee, # # provided that the above copyright notice appear in all copies and # # that both that copyright notice and this permission notice appear # # in supporting documentation. # # # # Ralf Westram makes no representations about the suitability of this # # software for any purpose. It is provided "as is" without express or # # implied warranty. # # # # ======================================================================== # # # Improvements compared with grep: # # * prints line column information # * knows about groups of files belonging together (e.g. *.cxx *.hxx) # * knows about special file locations (e.g. emacs lisp code, /usr/include, ...) # * able to search complete CVS/SVN trees # * some ARB specific specials # # -------------------------------------------------------------------------------- use strict; use warnings; use Cwd; # -------------------------------------------------------------------------------- my $tabsize = 4; # specify your emacs tabsize here (used to correct column position) # -------------------------------------------------------------------------------- # group definitions (you may want to change here): # # Each element in groups defines a cluster of files. # One cluster consists of: # # [0] = ref to array of header extensions # [1] = ref to array of normal extensions # [2] = ref to array of add. directories to search for # [3] = ref to array of add. extensions to search # # If extension given is member of [0] (or [1] if not -h given) of a cluster, # then the cluster gets activated (we call this an AC). Extensions in [3] do # NOT activate clusters! # # If -h is given, only extensions from [0] of all ACs are searched # otherwise those from [1] and [3] are added. ([3] is todo!) # # If -g is given the add. directories from [2] of all ACs are searched as well. my @groups = ( # C/C++ [ [ '.hxx', '.hpp', '.hh', '.h' ], # header files [ '.cxx', '.cpp', '.cc', '.c' ], # code files [ '/usr/include', '/usr/include/X11', '/usr/include/g++', '/usr/include/sys', ], # additional header directories (used with -g) [ '.aisc', '.pa' ], ], # ARB code generation [ [ ], [ '.aisc', '.pa' ], [ ], [ '.cxx', '.cpp', '.cc', '.c', '.hxx', '.hpp', '.hh', '.h' ], ], # perl [ [ '.pm' ], # header files [ '.pl', '.cgi' ], # code files [ '/usr/lib/perl5' ], # additional header directories (used with -g) ], # java [ [ ], # java sucks headers [ '.java' ], ], # xml development [ [ '.dtd' ], [ '.xml', '.xsl' ], ], # lisp [ [ ], [ '.el' ], [ '/usr/share/emacs/site-lisp', '/usr/share/xemacs', ], ], # shell-scripts etc. [ [ ], [ '.sh', '.cmd', '.bat' ], ], # text files [ [ ], [ '.txt', '.readme' ], ], # html etc [ [ ], [ '.html', '.htm' ], ], # hamster scripts [ [ '.hsm' ], [ '.hsc' ], [ ], # no add. directories [ '.ini' ], # search add. but don't add cluster if included ], # Euphoria [ [ '.e' ], [ '.exw' ], ], # ARB specifics [ # anything where aci/srt commands occur [ ], [ '.menu', '.source', '.hlp', '.eft', '.ift', '.mask', '.sellst' ], [ ], [ '.c', '.cxx' ], ], ); # files always searched (not by 'same' and 'header' search) my @normally_searches = ( 'makefile' ); # files always searched by global search my @global_always_searches = ( ); # -------------------------------------------------------------------------------- my $global = 0; my $headers_only = 0; my $same_ext_only = 0; my $ignore_case = 0; my $recurse_subdirs = 0; my $one_hit_per_line = 0; my $verbose = 0; my $matchFiles = 1; my $arbSpecials = 0; my $maxhits = undef; # undef means unlimited my $searchNonCVS = 0; my $extension = undef; my $use_as_wildcard = 0; my $regexpr = undef; my $calldir = cwd(); my $startdir = undef; # -------------------------------------------------------------------------------- my $GSM_NONE = 0; my $GSM_CVS = 1; # scan a CVS/SVN tree my $GSM_PARENT = 2; # do a simple parent scan my $global_scan_mode = $GSM_NONE; # -------------------------------------------------------------------------------- sub shall_skip_file($) { my ($file) = @_; die "arbSpecials not 1" if ($arbSpecials!=1); if ($file =~ /PERL2ARB\//o) { my $rest = $'; if ($rest eq 'ARB.c' or $rest eq 'proto.h') { return 1; } } elsif ($file =~ /lib\/help\//o) { return 1; } return 0; } # -------------------------------------------------------------------------------- my @ignores = (); # directory local excludes (reg.expressions) my $ignoreCount = 0; # overall ignore count sub forget_grepxignore() { @ignores = (); } sub load_grepxignore($) { my ($grepxignore) = @_; @ignores = (); open(IGNORE,'<'.$grepxignore) || die "can't open '$grepxignore' (Reason: $!)"; foreach () { chomp; push @ignores, qr/^$_$/; } close(IGNORE); } sub is_ignored($) { my ($name) = @_; foreach (@ignores) { if ($name =~ $_) { $verbose==0 || print "Ignoring '$name' (by $_)\n"; $ignoreCount++; return 1; } } return 0; } # -------------------------------------------------------------------------------- my $reg_nameOnly = qr/\/([^\/]+)$/; my $reg_extension = qr/(\.[^\.]+)$/; # (\.[^\.]+) my ($IS_HEADER,$IS_NORMAL,$IS_OTHER,$IS_ADDITIONAL) = (4,3,2,1); my %wanted_extensions = (); my %wanted_files = (); # files that are always searched my @add_header_dirs = (); my $reg_is_cpp_std_dir = qr/^\/usr\/include\/g\+\+(\/|$)/; sub shall_search_file($$) { my ($file,$indir) = @_; if ($use_as_wildcard==0) { if ($file =~ $reg_nameOnly) { $file = $1; } # behind last / if ($file =~ /^\.?\#/ or $file =~ /~$/) { return 0; } # skip backup files etc. my $ext = ''; if ($file =~ $reg_extension) { $ext = $1; } if ($ext eq '') { if ($indir =~ $reg_is_cpp_std_dir) { # print "hack: considering $file in $indir\n"; $ext = '.h'; # special hack for new style C++ header (they suck an extension) } else { if (not $haveFile) { return 0; } my $full = $indir.'/'.$file; my $type = `file $full`; # detect filetype chomp $type; if ($type =~ /^[^:]+: (.*)/o) { $type = $1; if ($type =~ /shell.*script/o) { $ext = '.sh'; } elsif ($type =~ /perl.*script/o) { $ext = '.pl'; } elsif ($type =~ /ASCII.*text/o) { $ext = '.txt'; } elsif ($type =~ /ISO.*text/o) { $ext = '.txt'; } elsif ($type =~ /executable/o) { ; } elsif ($type =~ /symbolic.link.to/o) { ; } else { print "Unhandled file='$full'\n type='$type'\n"; } } } } $ext = lc($ext); if (exists $wanted_extensions{$ext}) { return NotIgnored($file,$wanted_extensions{$ext}); } $file = lc($file); if (exists $wanted_files{$file}) { return NotIgnored($file,$IS_OTHER); } } else { if ($file =~ /$extension/ig) { return NotIgnored($file,$IS_NORMAL); } } return 0; } sub memberOf($\@) { my ($ext, $extArray_r) = @_; foreach (@$extArray_r) { if ($ext eq $_) { return 1; } } return undef; } sub add_files(\@$) { my ($ext_array_r,$value) = @_; foreach (@$ext_array_r) { $wanted_extensions{$_} = $value; } } sub init_wanted() { %wanted_extensions = (); %wanted_files = (); if ($same_ext_only==0 and $headers_only==0) { foreach (@normally_searches) { $wanted_files{$_} = 1; } } if ($global==1) { foreach (@global_always_searches) { $wanted_files{$_} = 1; } } if ($same_ext_only) { $wanted_extensions{$extension} = $IS_NORMAL; } elsif ($extension eq '') { foreach my $group_r (@groups) { my $header_r = $$group_r[0]; my $nheader_r = $$group_r[1]; add_files(@$header_r, $IS_HEADER); if ($headers_only==0) { add_files(@$nheader_r, $IS_NORMAL); } } my $which = ''; if ($headers_only==1) { $which = 'header-'; } print "grepx: No extension given - searching all known ".$which."extensions.\n"; } else { my $found_class = 0; my $group_count = 0; eval { foreach my $group_r (@groups) { my $group_defs = scalar(@$group_r); if ($group_defs<2) { die "Not enough entries (min. 2 are expected)"; } my $header_r = $$group_r[0]; my $nheader_r = $$group_r[1]; if (memberOf($extension, @$header_r) or memberOf($extension, @$nheader_r)) { # is group active? $verbose==0 || print "'$extension' found in [@$header_r] or [@$nheader_r] - adding tables\n"; $found_class = 1; add_files(@$header_r, $IS_HEADER); if ($headers_only==0) { add_files(@$nheader_r, $IS_NORMAL); } # 3rd entry is array of directories for -h -g if ($group_defs>=3) { my $add_dir_r = $$group_r[2]; foreach my $adir (@$add_dir_r) { if (-d $adir) { push @add_header_dirs, $adir; } else { print "grepx: No such directory '$adir'\n"; } } if ($group_defs>=4) { my $add_extensions_r = $$group_r[3]; if ($verbose>0) { print "Adding add. extensions:"; foreach (@$add_extensions_r) { print " $_"; } print "\n"; } add_files(@$add_extensions_r, $IS_ADDITIONAL); } } } $group_count++; } }; if ($@) { die "Error parsing \@groups[$group_count]: $@"; } if ($found_class==0) { print "grepx: No class defined for '$extension' .. searching only '$extension' files\n"; $wanted_extensions{$extension} = $IS_NORMAL; } } if ($verbose==1) { print "grepx: Searching"; foreach (keys %wanted_extensions) { print " *$_"; } foreach (keys %wanted_files) { print " $_"; } print "\n"; } } # -------------------------------------------------------------------------------- sub print_usage() { print "Usage: grepx 'ext' 'regexpr'\n". "Options:\n". " -g -> search globally (smart detect what global means)\n". " -h -> search in header files only (depends on 'ext')\n". " -s -> search in same fileextension only (default is to search file group)\n". " -i -> ignore case\n". " -r -> recurse subdirs\n". " -o -> one hit per line (default is to report multiple hits)\n". " -v -> be verbose (for debugging)\n". " -n -> don't match filenames\n". " -A -> do ARB specials if \$ARBHOME is defined\n". " -m xxx -> report max. xxx hits\n". " -c -> search in non-CVS/SVN files as well (default is to search CVS/SVN controlled files only)". "\n". " 'ext' extension of file where grepx is called from\n". " 'regexpr' perl regular expression\n\n"; } # -------------------------------------------------------------------------------- sub parse_args() { my $args = scalar(@ARGV); my @non_opt_args = (); my $ap = 0; while ($ap<$args) { if ($ARGV[$ap] =~ /^-/) { my $option = $'; if ($option eq 'g') { $global = 1; } elsif ($option eq 'h') { $headers_only = 1; } elsif ($option eq 's') { $same_ext_only = 1; } elsif ($option eq 'i') { $ignore_case = 1; } elsif ($option eq 'r') { $recurse_subdirs = 1; } elsif ($option eq 'o') { $one_hit_per_line = 1; } elsif ($option eq 'v') { $verbose = 1; } elsif ($option eq 'n') { $matchFiles = 0; } elsif ($option eq 'A') { if (exists $ENV{'ARBHOME'}) { $arbSpecials = 1; } else { print "grepx: Ignoring -A (ARBHOME not set)"; } } elsif ($option eq 'm') { $maxhits = int($ARGV[++$ap]); } elsif ($option eq 'c') { $searchNonCVS = 1; } else { die "Unknown option '-$option'\n"; } } else { if ($ARGV[$ap] ne '/dev/null') { push @non_opt_args, $ARGV[$ap]; } } $ap++; } my $restargs = scalar(@non_opt_args); # print "\@non_opt_args=@non_opt_args\n"; if ($restargs!=2) { die "Expected exactly two normal arguments (non-switches), found $restargs\n"; } $extension = $non_opt_args[0]; $regexpr = $non_opt_args[1]; $verbose==0 || print "grepx: Using regular expression '$regexpr'\n"; if ($ignore_case==1) { $regexpr = qr/$regexpr/i; } else { $regexpr = qr/$regexpr/; } if ($headers_only==1 and $same_ext_only==1) { die "Options -s and -h may not be used together\n"; } } # -------------------------------------------------------------------------------- sub pos_correction($$) { my ($line,$pos) = @_; my $prematch = substr($line,0,$pos); $prematch =~ s/[^\t]//go; return length($prematch)*($tabsize-1); } my $lines_examined = 0; my $reg_startdir = undef; sub grepfile($$\$) { my ($file,$entering,$entering_shown_r) = @_; my $matches = 0; my $reported = 0; my $show = $file; if ($file =~ $reg_startdir) { $show = $'; } open(FILE,"<$file") || die "can't read file '$file' (Reason: $!)"; while (my $line = ) { if ($line =~ $regexpr) { if ((not defined $maxhits) or ($maxhits>0)) { my $rest = $'; my $hitlen = $+[0] - $-[0]; my $pos; $hitlen>0 || die "Non-positive hitlen (=$hitlen) [1]"; if ($#+ > 0) { # regexpr has subgroups -> point to start of first subgroup $pos = $-[$#+] + 1; # start of first subgroup } else { $pos = $-[0] + 1; # start of regexpr } if ($matches==0 and $arbSpecials==1) { if (shall_skip_file($file)==1) { print "grepx: Unlisted occurance(s) in $file\n"; return (0,0); } } my $correct = pos_correction($line,$pos); $line =~ s/\r//o; $line =~ s/\n//o; chomp($line); $pos += $correct; $line =~ s/^([\s\t]+)//o; my $hits = 1; if ($one_hit_per_line==0) { if ($$entering_shown_r==0) { $$entering_shown_r=1; print $entering; } print "$show:$.:$pos: $line\n"; $rest =~ s/\r//o; $rest =~ s/\n//o; chomp($rest); while ($rest =~ $regexpr) { my $start_pos = $pos+$hitlen-1; $start_pos >= 0 || die "Negative start_pos(=$start_pos, pos=$pos, hitlen=$hitlen)"; $hitlen = $+[0] - $-[0]; $hitlen>0 || die "Non-positive hitlen (=$hitlen) [2]"; if ($#+ > 0) { $pos = $-[$#+] + 1; } else { $pos = $-[0] + 1; } $correct = pos_correction($rest,$pos); $pos += $start_pos+$correct; $pos >= 0 || die "Negative pos"; if ($$entering_shown_r==0) { $$entering_shown_r=1; print $entering; } print "$show:$.:$pos: [same] $line\n"; $hits++; $rest = $'; } } else { if ($$entering_shown_r==0) { $$entering_shown_r=1; print $entering; } print "$show:$.:$pos: $line\n"; } $reported += $hits; if (defined $maxhits) { $maxhits -= $hits; } } $matches++; } $lines_examined++; } close(FILE); return ($matches,$reported); } # -------------------------------------------------------------------------------- my $versionControl = ''; sub CVS_controlled($) { my ($dir) = @_; my $SVN_entries = $dir.'/.svn/entries'; if (-f $SVN_entries) { $versionControl = 'subversion'; 1; } else { my $CVS_Repository = $dir.'/CVS/Repository'; if (-f $CVS_Repository) { $versionControl = 'CVS'; 1; } else { 0; } } } sub parent_directory($) { my ($dir) = @_; if ($dir =~ /\/[^\/]+$/) { return $`; } return undef; } # -------------------------------------------------------------------------------- sub collect_files($\%$$); sub collect_files($\%$$) { my ($dir,$files_r,$is_additional_directory,$follow_file_links) = @_; my @files = (); my @subdirs = (); opendir(DIR, $dir) || die "can't read directory '$dir' (Reason: $!)"; foreach (readdir(DIR)) { if ($_ ne '.' and $_ ne '..') { my $full = $dir.'/'.$_; if (-l $full and ($follow_file_links==0 or -d $full)) { $verbose==0 || print "Skipping $full (symbolic link)\b"; } elsif (-f $full) { push @files, $full; } elsif (-d $full) { push @subdirs, $full; } else { $verbose==0 || print "Skipping $full (not a file or directory)\n"; } } } closedir(DIR); my $grepxignore = $dir.'/.grepxignore'; if (-f $grepxignore) { load_grepxignore($grepxignore); } else { forget_grepxignore(); } foreach (@files) { my $shall = shall_search_file($_,$dir); if ($shall) { $verbose==0 || print "Searching $_\n"; # $matches += grepfile($_); # $searched++; $$files_r{$_} = $shall; } else { $verbose==0 || print "Skipping '$_' (unwanted)\n"; } } if ($recurse_subdirs==1) { my @descent_into = (); foreach (@subdirs) { my $descent = 1; my $reason = 'not specified'; if ($global_scan_mode==$GSM_CVS and not $is_additional_directory and not CVS_controlled($_)) { if ($arbSpecials==1 and $_ =~ /\/GEN[CH]$/) { $verbose==0 || print "Descending non-$versionControl dir '$_' (caused by ARB mode)\n"; } else { $descent = 0; $reason = 'not version-controlled'; } } if ($descent==1) { $descent = NotIgnored($_,1); if ($descent==0) { $reason = 'Excluded by .grepxignore'; } } if ($descent==1) { push @descent_into, $_; } else { $verbose==0 || print "Skipping subdirectory '$_' ($reason)\n"; } } foreach (@descent_into) { collect_files($_, %$files_r, $is_additional_directory,$follow_file_links); } } } sub grep_collected_files(\%$) { my ($files_r,$entering) = @_; my $entering_shown = 0; my %depth = map { my $d = $_; $d =~ s/[^\/\\]//ig; $_ => length($d); } keys %$files_r; my @files = sort { my $cmp = $$files_r{$b} <=> $$files_r{$a}; # file importance if ($cmp==0) { $cmp = $depth{$a} <=> $depth{$b}; # depth in directory tree if ($cmp==0) { $cmp = $a cmp $b; # alphabethically } } return $cmp; } keys %$files_r; my $searched = scalar(@files); my $matches = 0; my $reported = 0; if ($matchFiles==1) { my @matching_files = (); # files were regexp matches filename my $reg_name = qr/\/([^\/]+)$/; foreach (@files) { if ($_ =~ $reg_name) { # match the name part if ($1 =~ $regexpr) { push @matching_files, $_; } } else { die "can't parse name from '$_'"; } } my $matching_files = scalar(@matching_files); if ($matching_files>0) { print "grepx: Some filenames match your expression:\n"; foreach (@matching_files) { my $show = $_; if ($_ =~ $reg_startdir) { $show = $'; } if ($entering_shown==0) { $entering_shown=1; print $entering; } print "$show:0: \n"; } } } # print "grepx: Searching $searched files..\n"; foreach (@files) { $verbose==0 || print "searching '$_' (depth=$depth{$_}, importance=$$files_r{$_})\n"; my ($m,$r) = grepfile($_,$entering,$entering_shown); $matches += $m; $reported += $r; } return ($searched,$matches,$reported); } sub perform_grep($$$) { my ($startdir, $is_additional_directory, $follow_file_links) = @_; my %files = (); # key=file, value=file-importance collect_files($startdir,%files,$is_additional_directory,$follow_file_links); my $max_importance = -1; foreach (values %files) { if ($_ > $max_importance) { $max_importance = $_; } } if ($max_importance<=$IS_OTHER) { print "grepx: Only found files with importance==$max_importance (aborting)\n"; %files = (); } my ($searched,$matches,$reported) = (0,0,0); if (scalar(%files)) { my $entering = "grepx: Entering directory `$startdir'\n"; ($searched,$matches,$reported) = grep_collected_files(%files,$entering); if ($reported>0) { print "grepx: Leaving directory `$startdir'\n"; } } return ($searched,$matches,$reported); } sub grep_add_directories() { my ($searched,$matches,$reported) = (0,0,0); foreach (@add_header_dirs) { my ($s,$m,$r) = perform_grep($_,1,0); ($searched,$matches,$reported) = ($searched+$s,$matches+$m,$reported+$r); } return ($searched,$matches,$reported); } # -------------------------------------------------------------------------------- sub detect_wanted_startdir($) { my ($calldir) = @_; if ($global==1) { my $know_whats_global = 0; if (CVS_controlled($calldir)) { my $updir = parent_directory($calldir); while (defined $updir and -d $updir and CVS_controlled($updir)) { $calldir = $updir; $updir = parent_directory($updir); } print "grepx: Starting global search from root of $versionControl controlled directory-tree\n"; $global_scan_mode = $GSM_CVS; $know_whats_global = 1; } if ($know_whats_global==0) { print "grepx: Don't know what 'global search' means here.. using parent directory\n"; $global_scan_mode = $GSM_PARENT; my $updir = parent_directory($calldir); if (defined $updir and -d $updir) { $calldir = $updir; } } } return $calldir; } sub megagiga($) { my ($val) = @_; if ($val<1024) { return "$val "; } my $pot = 0; while ($val>=1024) { $val = int($val/1024+0.5); $pot++; } return "$val ".substr("kMGTP", $pot-1, 1); } # -------------------------------------------------------------------------------- eval { my $start_time = time; parse_args(); $startdir = detect_wanted_startdir($calldir); $reg_startdir = quotemeta($startdir.'/'); $reg_startdir = qr/^$reg_startdir/; init_wanted(); my ($searched,$matches,$reported) = perform_grep($startdir,0,0); if ($matches==0) { print "grepx: No results - retry with links..\n"; ($searched,$matches,$reported) = perform_grep($startdir,0,1); # retry following links } if ($global==1 and scalar(@add_header_dirs)>0) { if ($reported==$matches) { print "grepx: ------------------------------ Searching in add. directories:\n"; my ($s,$m,$r) = grep_add_directories(); ($searched,$matches,$reported) = ($searched+$s,$matches+$m,$reported+$r); } else { print "grepx: Skipping search of add. directories - already got enough matches.\n"; } } if ($searched == 0) { print "grepx: No files matched.\n"; print "grepx: Retrying using '$extension' as wildcard.\n"; $use_as_wildcard = 1; ($searched,$matches,$reported) = perform_grep($startdir,0,0); if ($matches==0) { print "grepx: No results - retry with links..\n"; ($searched,$matches,$reported) = perform_grep($startdir,0,1); # retry following links } if ($searched == 0) { print "grepx: No files matched.\n"; } } if ($searched>0) { my $info = "Searched $searched files (".megagiga($lines_examined)."LOC). "; if ($matches>0) { if ($reported == $matches) { $info .= "Found $matches"; } else { $info .= "Reported $reported (of $matches found)"; } $info .= " matches in ".(time-$start_time)." seconds."; } else { $info .= "No matches were found."; } print "grepx: $info\n"; } if ($ignoreCount>0) { print "grepx: excluded by .grepxignore: $ignoreCount files/directories\n"; } }; if ($@) { print_usage(); die "Error: $@"; } # -------------------------------------------------------------------------------- ./arbsrc_9167/SOURCE_TOOLS/Makefile0000644012664100000130000000016311213220015016542 0ustar arb_buildcoders all: @echo "use make clean" clean: rm -f generate_all_links.stamp valgrind_update: ./arb_valgrind update ./arbsrc_9167/SOURCE_TOOLS/make_java_dependencies.sh0000755012664100000130000000145711213220015022074 0ustar arb_buildcoders#!/bin/bash # ------------------------------------------------------------------------ # # very simple java dependency generator # XXX.class depends on all *.java containing the word XXX # # Coded by Ralf Westram (coder@reallysoft.de) in September 2003 # Copyright Department of Microbiology (Technical University Munich) # # Visit our web site at: http://www.arb-home.de/ # # ------------------------------------------------------------------------ find_deps_for() { grep -w -H $1 *.java | sed -e 's/^\([^:]*\)\.java:.*$/\1.class/ig' | sort | uniq } append_dep() { sed -e "s/$/ : $1/ig" } make_dependencies() { for JAVA in *.java; do BASE=`basename $JAVA .java` DEPEND=`find_deps_for $BASE | append_dep $BASE.java` echo "$DEPEND" done } make_dependencies | sort ./arbsrc_9167/SOURCE_TOOLS/mv_if_diff0000755012664100000130000000105111213220015017115 0ustar arb_buildcoders#!/bin/bash if [ -z "$2" ] ; then echo "Usage: mv_if_diff source target" echo "Moves source to target." echo "If target does not differ from source, target is kept untouched." echo "If target does not exist, source is always moved to target." echo "source always gets removed." exit 1 fi if [ -f "$2" ]; then DIFF=`diff $1 $2 | wc -l` if [ $DIFF = 0 ] ; then echo "$2 did not change." rm $1 else echo "$2 updated." mv $1 $2 fi else echo "$2 created." mv $1 $2 fi ./arbsrc_9167/SOURCE_TOOLS/postcompile.pl0000755012664100000130000000615011440743001020011 0ustar arb_buildcoders#!/usr/bin/perl # ================================================================= # # # # File : postcompile.pl # # Purpose : filter gcc shadow spam # # # # Coded by Ralf Westram (coder@reallysoft.de) in September 2007 # # Institute of Microbiology (Technical University Munich) # # http://www.arb-home.de/ # # # # ================================================================= # use strict; use warnings; # Note: g++ must be called with -fmessage-length=0 # regexps for whole line: my $reg_file = qr/^([^:]+):([0-9]+):\s/; my $reg_included = qr/^In\sfile\sincluded\sfrom\s(.*)[,:]/; my $reg_included2 = qr/^\s+from\s(.*)[,:]/; my $reg_location = qr/^[^:]+:\sIn\sfunction\s/; my $reg_location2 = qr/^[^:]+:\sAt\stop\slevel:/; # regexps for messages: my $reg_shadow_warning = qr/^warning:\sdeclaration\sof\s.*\sshadows\s/; my $reg_shadow_location = qr/^warning:\sshadowed\s/; # regexps for files: my $reg_user_include = qr/^\/usr\/include\//; # output buffer my @out = (); sub warning($) { my ($msg) = @_; push @out, '[postcompile]: '.$msg; } my $shadow_warning = undef; sub store_shadow($) { my ($warn) = @_; if (defined $shadow_warning) { warning('unprocessed shadow_warning:'); push @out, $shadow_warning; } $shadow_warning = $warn; } my @included = (); my $location_info = undef; foreach (<>) { chomp; if ($_ =~ $reg_file) { my ($file,$line,$msg) = ($1,$2,$'); if ($msg =~ $reg_shadow_warning) { if (not $' =~ /this/) { # dont store this warnings (no location follows) store_shadow($_); $_ = undef; } } elsif ($msg =~ $reg_shadow_location) { if (not defined $shadow_warning) { warning('no shadow_warning seen'); } else { if ($file =~ $reg_user_include or $file eq '') { # dont warn about /usr/include or shadowing $_ = undef; @included = (); $location_info = undef; } else { if (defined $location_info) { push @out, $location_info; $location_info = undef; } push @out, $shadow_warning; } $shadow_warning = undef; } } # if (defined $_) { $_ .= ' [reg_file]'; } # # test } elsif ($_ =~ $reg_location or $_ =~ $reg_location2) { $location_info = $_; $_ = undef; } elsif ($_ =~ $reg_included) { push @included, $1; $_ = undef; } elsif (@included) { if ($_ =~ $reg_included2) { push @included, $1; $_ = undef; } } if (defined $_) { if (defined $location_info) { push @out, $location_info; $location_info = undef; } push @out, $_; if (@included) { foreach (@included) { push @out, $_.': included from here'; } } } } store_shadow(undef); foreach (@out) { print "$_\n"; } ./arbsrc_9167/SOURCE_TOOLS/profile_annotate.pl0000755012664100000130000001335611440743001021012 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; # -------------------------------------------------------------------------------- sub scanLine($) { my ($line) = @_; if ($line =~ /^[ ]*([0-9,]+) [ ]*/o) { my ($num,$rest) = ($1,$'); $num =~ s/,//ig; return ($num,$rest); } return (undef,undef); } sub prefix_percent($$$) { my ($line,$total,$partial) = @_; if ($partial>$total) { print "Invalid partial=$partial (total=$total)\n"; } my $percent = int($partial/$total*1000+0.5)/10; return sprintf("%5.1f",$percent).'% | '.$line; } sub percentize($$) { my ($line,$totals) = @_; my ($num,$rest) = scanLine($line); if (defined $num) { (prefix_percent($line,$totals,$num),$rest); } else { ($line,$rest); } } sub percentize_cluster(\@$) { my ($cluster_r, $cluster_total) = @_; eval { if (defined $cluster_total) { my @new = (); foreach (@$cluster_r) { if (/ \| /o) { my ($prefix,$orgline) = ($`.$&, $'); my ($size,$rest) = scanLine($orgline); push @new, prefix_percent($_,$cluster_total,$size); } } @$cluster_r = @new; } }; if ($@) { print "Error: $@\nat cluster:\n"; foreach (@$cluster_r) { print "'$_'\n"; } } } sub add_percentages(\@) { my ($lines_r) = @_; my @out = (); my $nr = 0; my $maxnr = scalar(@$lines_r); my $totals = undef; my $dummy; my $seperator = undef; while (not defined $totals && $nr<$maxnr) { my $line = $$lines_r[$nr++]; push @out, $line; if ($line =~ /PROGRAM TOTALS$/o) { ($totals,$dummy) = scanLine($line); } elsif (not defined $seperator) { if ($line =~ /^-+$/o) { $seperator = $line; } } } if (not defined $totals) { die "Could not parse PROGRAM TOTALS"; } if (not defined $seperator) { die "No separator found"; } my $last_line = pop @out; ($last_line,$dummy) = percentize($last_line,$totals); push @out, $last_line; push @out, ""; my @rest = (); my @cluster = (); my $cluster_total = undef; my $percentize_cluster = 1; while ($nr<$maxnr) { my $line = $$lines_r[$nr++]; my ($pline,$rest) = percentize($line,$totals); if (defined $rest) { # percentage added if ($rest =~ /^\*/o) { push @out, $pline; if ($pline =~ /\| /o) { ($cluster_total,$dummy) = scanLine($'); } } push @cluster, $pline; } else { if (scalar(@cluster)) { if ($percentize_cluster==1) { percentize_cluster(@cluster,$cluster_total); } push @rest, @cluster; @cluster = (); $cluster_total = undef; } if ($line =~ /Auto-annotated source/o) { $percentize_cluster = 0; } push @rest, $pline; } } if (scalar(@cluster)) { if ($percentize_cluster==1) { percentize_cluster(@cluster,$cluster_total); } push @rest, @cluster; } @$lines_r = @out; push @$lines_r, @rest; } # -------------------------------------------------------------------------------- sub setModtime($$) { my ($file,$modtime) = @_; utime($modtime,$modtime,$file) || die "can't set modtime of '$file' (Reason: $!)"; } sub getModtime($) { my ($fileOrDir) = @_; my $modtime = (stat($fileOrDir))[9]; return $modtime; } sub annotate_one($$$) { my ($outfile,$force,$dir) = @_; if (not -f $outfile) { die "No such file '$outfile'"; } if (not $outfile =~ /^callgrind\.out\./o) { die "Illegal name (expected 'callgrind.out.xxx' not '$outfile')"; } my $annotated = 'callgrind.annotated.'.$'; my $perform = $force; my $modtime_out = getModtime($outfile); if (not -f $annotated) { $perform = 1; } elsif ($modtime_out>getModtime($annotated)) { $perform = 1; } if ($perform==1) { print "* Updating $annotated\n"; my $command = "callgrind_annotate --tree=both --inclusive=yes "; if (defined $dir) { $command .= '--auto=yes --include=./'.$dir.' '; } $command .= $outfile; my $line; my @lines = (); open(CMD, $command.'|') || die "can't execute '$command' (Reason: $!)"; while (defined ($line=)) { chomp($line); push @lines, $line; } close(CMD); add_percentages(@lines); open(ANNO,'>'.$annotated) || die "can't write '$annotated' (Reason: $!)"; print ANNO "Command was '$command'\n\n"; foreach (@lines) { print ANNO $_."\n"; } close(ANNO); # setModtime($annotated,$modtime_out+2); } } sub annotate_all() { opendir(DIR,".") || die "can't read directory '.' (Reason: $!)"; foreach (readdir(DIR)) { if (/^callgrind\.out\./o) { annotate_one($_,0, undef); } elsif (/^callgrind\.annotate\./o) { my $out = 'callgrind.out.'.$'; if (not -f $out) { print "* $out disappeared => remove $_\n"; unlink($_) || die "Can't unlink '$_' (Reason: $!)"; } } } closedir(DIR); } # -------------------------------------------------------------------------------- sub die_usage($) { my ($err) = @_; die("Usage: profile_annotate.pl all | callgrind.out.xxx [DIR]\n". " Annotates all or one callgrind.out.xxx\n". " Annotations are written to callgrind.annotated.xxx\n". " If 'all' is specified, all callgrind.annotated.xxx files without source get deleted.\n". " If DIR is given it's used for auto source annotation.\n". "Error: $err\n" ); } sub main() { my $args = scalar(@ARGV); if ($args<1 || $args>2) { die_usage "Wrong number of arguments"; } my $arg = $ARGV[0]; if ($arg eq 'all') { annotate_all(); } elsif (-f $arg) { my $dir = undef; if ($args==2) { $dir = $ARGV[1]; if (not -d $dir) { die "No such directory '$dir'"; } } annotate_one($arg,1,$dir); } else { die_usage("No such file '$arg'"); } } main(); ./arbsrc_9167/SOURCE_TOOLS/profiling_info.txt0000644012664100000130000000173411213220015020654 0ustar arb_buildcoders Short instructions how to profile ARB using valgrind ==================================================== General notes: -------------- * most ARB programs start 2 processes -> normally simply use the bigger out file * aw_message can cause serious amounts of performance loss valgrind 3.2.0: --------------- 1. run valgrind --tool=callgrind programname prog_arguments 2. perform the actions you want to get info for and terminate 'programname' 3a. run 'profile_annotate.pl' or directly 3b. run 'callgrind_annotate --tree=both --inclusive=yes [--auto=yes] callgrind.out.xxx' where xxx is the PID of the program. Older valgrind versions: ------------------------ 1. Install calltree (a valgrind extension) 2. run 'calltree --trace-children=yes programname prog_arguments' 3. perform the actions you want to get info for and terminate 'programname' 4. run 'ct_annotate --tree=both --inclusive=yes --auto=yes cachegrind.out.xxx' where xxx is the PID of the program. ./arbsrc_9167/SOURCE_TOOLS/provide_libs.pl0000644012664100000130000001153511213747741020151 0ustar arb_buildcoders# ============================================================ # # # # File : provide_libs.pl # # Purpose : # # # # Coded by Ralf Westram (coder@reallysoft.de) in June 2009 # # Institute of Microbiology (Technical University Munich) # # www.arb-home.de # # # # ============================================================ # use strict; use warnings; my %needed_by = ( # 'libXm.so' => 'arb_ntree', # this would also link the motif lib (not done atm) ); my %needed_by_opengl = ( 'libGLEW.so' => 'arb_edit4', 'libGLw.so' => 'arb_edit4', ); my $verbose = 0; # for debugging this script # libs get copied to ../lib/addlibs sub getModtime($) { my ($fileOrDir) = @_; my $modtime = (stat($fileOrDir))[9]; return $modtime; } sub update_lib($$$) { my ($libname, $binary, $addlibsdir) = @_; if (not -f $binary) { print "Can't use '$binary' to detect used '$libname' (no such file)\n"; } else { my ($linked_symbolic,$linked_real) = (undef,undef); my $command = 'ldd '.$binary; $verbose==0 || print "$command\n"; open(LDD,$command.'|') || die "can't execute '$command' (Reason: $!)"; foreach () { chomp; if (/^\s+([^\s]+)\s+=>\s+([^\s]*)\s+\(.*\)$/) { my ($symbolic,$real) = ($1,$2); $verbose==0 || print "ldd-out: symbolic='$symbolic' real='$real'\n"; if ($symbolic =~ /^$libname\./) { ($linked_symbolic,$linked_real) = ($symbolic,$real); } } else { $verbose==0 || print "cant parse ldd-out: '$_'\n"; } } close(LDD); my $keep = undef; if (not defined $linked_symbolic) { print "Warning: $binary is NOT linked against $libname ($libname will not be provided)\n"; } else { print "$binary links against '$linked_symbolic' ($linked_real)\n"; my $source = $linked_real; my $dest = $addlibsdir.'/'.$linked_symbolic; my $doCopy = 0; if (-f $dest) { my $mod_source = getModtime($source); my $mod_dest = getModtime($dest); if ($mod_dest != $mod_source) { print "Modification time of $source differs -> force update\n"; $doCopy = 1; } else { print "$dest is up-to-date\n"; } } else { $doCopy = 1; } if ($doCopy==1) { $command = "cp -p '$source' '$dest'"; print "Updating $dest\n"; system($command)==0 || die "Failed to execute '$command' (Reason: $!)"; } if (not -f $dest) { die "oops .. where is $dest?"; } $keep = $linked_symbolic; } # delete older copies opendir(DIR,$addlibsdir) || die "can't read directory '$addlibsdir' (Reason: $!)"; foreach (readdir(DIR)) { if (/^$libname/) { # print "Matching file: '$_'\n"; if ((not defined $keep) or ($_ ne $keep)) { my $toRemove = $addlibsdir.'/'.$_; print "removing obsolete file '$toRemove'\n"; unlink($toRemove) || die "Failed to unlink '$toRemove' (Reason: $!)"; } } } closedir(DIR); } } sub provide_libs($$$) { my ($arbhome,$addlibsdir,$opengl) = @_; my $bindir = $arbhome.'/bin'; chdir($arbhome) || die "can't cd to '$arbhome' (Reason: $!)"; print "Updating additional libs\n"; foreach my $lib (keys %needed_by) { update_lib($lib, $bindir.'/'.$needed_by{$lib}, $addlibsdir); } if ($opengl==1) { foreach my $lib (keys %needed_by_opengl) { update_lib($lib, $bindir.'/'.$needed_by_opengl{$lib}, $addlibsdir); } } } sub main() { my $args = scalar(@ARGV); if ($args==0) { die 'Usage: provide_libs.pl "opengl=$(OPENGL)" "link_static=$(LINK_STATIC)" "arbhome=$(ARBHOME)"'; } my %arg = (); foreach (@ARGV) { if (/^([^=]+)=(.*)$/) { $arg{$1} = $2; } else { die "can't handle argument '$_'"; } } if ($verbose>0) { foreach (sort keys %arg) { print "$_='".$arg{$_}."'\n"; } } my $opengl = $arg{opengl}; my $arbhome = $arg{arbhome}; my $link_static = $arg{link_static}; if (defined $opengl and defined $arbhome and defined $link_static) { if (not -d $arbhome) { die "Expected directory '$arbhome'"; } my $addlibsdir = $arbhome.'/lib/addlibs'; if (not -d $addlibsdir) { die "Expected directory '$addlibsdir'"; } if ($link_static == 1) { print "No libs provided to $addlibsdir (we are linking static)\n"; } else { provide_libs($arbhome,$addlibsdir,$opengl); } } else { die "Expected arguments are 'devel=', 'arbhome=' and 'link_static='"; } } main(); ./arbsrc_9167/SOURCE_TOOLS/requireVersion.pl0000755012664100000130000000152311237014133020475 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; sub version_compare($$); sub version_compare($$) { my ($v1,$v2) = @_; if (not defined $v1) { $v1 = 0; if (not defined $v2) { return 0; } } elsif (not defined $v2) { $v2 = 0; } my ($mj1,$mn1) = ($v1,undef); my ($mj2,$mn2) = ($v2,undef); if ($v1 =~ /\./) { ($mj1,$mn1) = ($`,$'); } if ($v2 =~ /\./) { ($mj2,$mn2) = ($`,$'); } my $cmp = $mj1 <=> $mj2; if ($cmp==0) { $cmp = version_compare($mn1,$mn2); } return $cmp; } sub main() { my $args = scalar(@ARGV); if ($args!=2) { die "Usage: requireVersion.pl x.x y.y\n". " Prints 1 if y.y is greater equal the required version x.x\n"; } my $req = $ARGV[0]; my $test = $ARGV[1]; my $cmp = version_compare($req,$test); if ($cmp<=0) { print "1\n"; } else { print "0\n"; } } main(); ./arbsrc_9167/SOURCE_TOOLS/show_globals.sh0000755012664100000130000000042511213220015020125 0ustar arb_buildcoders#!/bin/bash show_globals() { if [ \! -z $1 ]; then DIR=`dirname $1` echo $DIR:0: list of globals in $1 nm -C --defined-only $1 | grep '^[0-9a-f]* [^brdtTWV]' shift show_globals $* fi } show_globals `find $ARBHOME -name "*.a"` ./arbsrc_9167/SOURCE_TOOLS/tabBrake.pl0000755012664100000130000002107211656765615017216 0ustar arb_buildcoders#!/usr/bin/perl # # checks files for TABs and raises error if TABs found # (TABs are evil, cause they have no default width) # # As well checks for older ARB compile logs and removes them use strict; use warnings; my $forceAll = 0; # 1 -> force scan of all files if no stamp, 0 -> assume all ok, scan only new files my %scan_extension = map { $_ => 1; } ( 'c', 'h', 'cxx', 'hxx', 'cpp', 'hpp', 'f', 'inc', 'm4', 'status', 'in', 'txt', 'doc', 'README', 'readme', 'sh', 'pl', 'pm', 'PL', 'cgi', 'java', 'head', 'header', 'default', 'footer', 'makefile', 'template', 'dat', 'dtd', 'xsl', 'eft', 'ift', 'ift2', 'amc', 'sellst', 'mask', 'aisc', 'pa', 'source', 'menu', 'mat', 'conf', ); my %auto_determine = map { $_ => 1; } ( 'x', 'jar', ); my %ignore_extension = map { $_ => 1; } ( 'a', 'o', 'so', 'class', 'html', 'bitmap', 'ps', 'icon', 'hlp', 'help', 'gif', 'png', 'fig', 'vfont', 'SAVE', 'tgz', 'gz', 'lst', 'depends', 'md5', 'bs', 'xs', 'exists', 'ignore', '3pm', 'arb', 'seq', 'genmenu', 'init', 'cvsignore', 'log', 'am', 'org', 'last_gcc', 'csv', 'b', 'n', 'helpfiles', 'ms', 'gon', 'pep', 'bla', 'tct', 'comm', 'before', 'v1', 'data', 'pdb', 'embl', 'xpm', 'big', '2_manual_postscript', '2_manual_text', 'stamp', ); my %ignored_subdirs = map { $_ => 1; } ( 'GDE/CLUSTAL', 'GDE/CLUSTALW', 'GDE/FASTDNAML', 'GDE/AxML', 'GDE/TREEPUZZLE', 'GDE/PHYML', 'GDE/RAxML', 'GDE/SUPPORT', 'GDE/PHYLIP', 'patches', 'bin', ); my $tab_count = 0; my $files_newer_than = 0; sub getModtime($) { my ($file) = @_; my @st = stat($file); if (not @st) { die "can't stat '$file' ($!)"; } return $st[9]; } sub scan_for_tabs($) { my ($file) = @_; my $has_tabs = `grep -m 1 -n -H '\t' $file`; # print "$file:0: has_tabs='$has_tabs'\n"; if ($has_tabs ne '') { my $pos = "$file:0:"; if ($has_tabs =~ /^[^:]+:[0-9]+:/) { $pos = $&; } print "$pos contains tabs. Tabs are not allowed.\n"; $tab_count++; if ($tab_count>10) { die "Further scan skipped.\n"; } } } sub recurse_dirs($$); sub recurse_dirs($$) { my ($dir,$basedir) = @_; my @subdirs = (); if ($dir ne $basedir) { my $subdir = substr($dir,length($basedir)+1); if (defined $ignored_subdirs{$subdir}) { # print "Ignoring '$subdir' (dir='$dir')\n"; return; } } opendir(DIR, $dir) || die "can't read directory '$dir' (Reason: $!)"; foreach (readdir(DIR)) { if ($_ ne '.' and $_ ne '..') { my $full = $dir.'/'.$_; if (-l $full) { # print "$full:0: link -- skipped\n"; } elsif (-d $full) { if ($_ ne 'CVS' and $_ ne '.svn' and $_ ne 'ARB_SOURCE_DOC' and $_ ne 'old_help' and $_ ne 'PERL2ARB' and $_ ne 'GENC' and $_ ne 'GENH' ) { push @subdirs, $full; } } elsif (-f $full) { my $scan = -1; my $determine = 0; my $modtime = getModtime($full); if ($modtime<$files_newer_than) { $scan = 0; # file was created before last compile start # check if it's a log from an aborted compile if (/^[^.]+\.([0-9]+)\.log$/o) { print "Old log file: $full -- removing\n"; unlink($full) || print "$full:0: can't unlink (Reason: $!)\n"; } } else { if (/\.([^.]+)$/) { # file with extension my $ext = $1; if (exists $ignore_extension{$ext}) { # print "$full:0: excluded by extension '$ext'\n"; $scan = 0; } elsif (exists $scan_extension{$ext}) { # print "$full:0: scan!\n"; $scan = 1; } elsif (exists $auto_determine{$ext}) { # print "$full:0: scan!\n"; $determine = 1; } else { if ($ext =~ /^[0-9]+$/ ) { $scan = 0; } elsif ($full =~ /util\/config\./ or $full =~ /lib\/config\./ ) { $scan = 1; } else { # print "$full:0: a '$ext' file\n"; } } } else { if (/Makefile/ or /ChangeLog/ ) { $scan = 0; } else { $determine = 1; } } if ($determine==1) { $scan==-1 || die "logic error"; my $file_says = `file $full`; if ($file_says =~ /^[^:]+:[ ]*(.*)$/) { $file_says = $1; } else { die "Can't parse output from 'file'-command"; } if ($file_says =~ /executable/ or $file_says eq 'empty' or $file_says eq 'data' or $file_says eq 'IFF data' or $file_says =~ /archive.*data/ ) { $scan = 0; } elsif ($file_says =~ /shell.*script/ or $file_says =~ /ASCII.*text/ or $file_says =~ /ISO.*text/ or $file_says =~ /perl.*script/ ) { $scan = 1; } else { print "$full:0: file_says='$file_says'\n"; } } } if ($scan==-1) { if (/^#.*#$/) { print "$full:1: a lost file?\n"; } else { # die "Don't know what to do with '$full'"; } } elsif ($scan==1) { scan_for_tabs($full); # print "$full:0: scanning..\n"; } } } } closedir(DIR); foreach (@subdirs) { recurse_dirs($_,$basedir); } } # -------------------------------------------------------------------------------- print "--- TAB brake ---\n"; my $ARBHOME = $ENV{'ARBHOME'}; if (not defined $ARBHOME) { die "'ARBHOME' not defined"; } my $time_stamp = $ARBHOME.'/SOURCE_TOOLS/tabBrake.stamp'; my $exitcode = 0; if (-f $time_stamp) { $files_newer_than = getModtime($time_stamp); print "Checking files newer than ".localtime($files_newer_than)."\n"; } else { if ($forceAll==1) { print "Initial call - checking all files\n"; $files_newer_than = 0; } else { print "Initial call - assuming everything is TAB-free\n"; $files_newer_than = time; } } if ($exitcode==0) { `touch $time_stamp`; # mark time of last try # i.e. user inserts TAB to file -> fail once } recurse_dirs($ARBHOME,$ARBHOME); if ($tab_count>0) { $exitcode = 1; } exit($exitcode); ./arbsrc_9167/SOURCE_TOOLS/touch_modified.pl0000755012664100000130000000237111440743001020436 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; # use diagnostics; # -------------------------------------------------------------------------------- my $ARBHOME = $ENV{ARBHOME}; if (not defined $ARBHOME) { die "Environmentvariable ARBHOME has be defined"; } if (not -d $ARBHOME) { die "ARBHOME ('$ARBHOME') does not point to a valid directory"; } sub main() { print "Touching modified files:\n"; my $svn_status = "svn status"; open(STATUS, $svn_status.'|') || die "can't execute '$svn_status' (Reason: $!)"; foreach my $line () { chomp($line); my $handled = 0; if ($line =~ /^([^\s]+)[\s+]+(.*)$/) { my ($st,$file) = ($1,$2); my $touch = 0; if (($st eq 'M') or ($st eq 'R') or ($st eq 'A')) { # touch modified, replaced and added files $touch = 1; } elsif (($st eq '?') or ($st eq 'D')) { # ignore unknown and deleted files $handled = 1; } if ($touch==1) { if (not -f $file) { die "File '$file' not found (statusline='$line')" } my $touch_cmd = "touch '$file'"; print '['.$touch_cmd."]\n"; system($touch_cmd); $handled = 1; } } if ($handled==0) { die "Can't handle status line '$line'"; } } close(STATUS); } main(); ./arbsrc_9167/SOURCE_TOOLS/trace.gdb0000644012664100000130000000175511254700554016706 0ustar arb_buildcodersdefine sep echo ------------------------\n end define head sep echo $arg0\n sep end define brk sep echo setting breakpoint $arg0\n sep break $arg0 end define atstop # now program either terminated, crashed or hit a breakpoint head stop_reached where 1000 full head disassembled disassemble head listing set listsize 10 list # if program terminated or crashed, 'continue' will cause a script error and # the script will stop. Otherwise it loops forever. continue atstop end brk main run # now program is in main() - set all breakpoints set breakpoint pending on brk exit brk _fini brk malloc_error_break set print pretty set print array #set print array-indexes set print null-stop set print elements 2000 set print repeats 100 set print object set print vtbl head shared_libraries info sharedlibrary set verbose continue atstop ./arbsrc_9167/SOURCE_TOOLS/update_config_makefile.pl0000755012664100000130000000741611247173651022142 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; # use diagnostics; # -------------------------------------------------------------------------------- my $ARBHOME = $ENV{ARBHOME}; if (not defined $ARBHOME) { die "Environmentvariable ARBHOME has be defined"; } if (not -d $ARBHOME) { die "ARBHOME ('$ARBHOME') does not point to a valid directory"; } # -------------------------------------------------------------------------------- my %allowDup = ( 'MACH' => 1 ); my %old = (); # key = var, value = line # -------------------------------------------------------------------------------- sub analyze_line($) { my ($line) = @_; my ($commented, $var, $value,$comment) = ( 0, undef, undef ); my $rest; if ($line =~ /^\s*([\#]*)\s*([A-Z][A-Z_0-9]+)\s*\:\=\s*([A-Z_0-9]+)\s*/o) { ($var,$value) = ($2,$3); if ($1 eq '#') { $commented = 1; } $rest = $'; } else { $rest = $line; } if ($rest =~ /\s*\#\s*/o) { $comment = $'; } if (0 and defined $var) { print "line ='$line'\n"; print "commented='$commented'\n"; print "var ='$var'\n"; print "value ='$value'\n"; if (defined $comment) { print "comment ='$comment'\n"; } } return ($commented, $var, $value,$comment); } sub loadOldConfig($) { my ($cfg) = @_; open(CFG,'<'.$cfg) || die "can't read '$cfg' (Reason: $!)"; foreach my $line () { chomp($line); my ($commented, $var, $value,$comment) = analyze_line($line); if (defined $var) { if (defined $allowDup{$var}) { my $dupId = $var.'#'.$value; if (defined $old{$dupId}) { die "Duplicated entry for '$var=$value' in '$cfg'"; } $old{$dupId} = $line; } else { if (defined $old{$var}) { die "Duplicated entry for '$var' in '$cfg'"; } $old{$var} = $line; } } } close(CFG); } sub gen_line($$$$) { my ($commented, $var, $value, $comment) = @_; my $line; if (defined $var) { defined $value || die "var without value"; $line = ($commented==1 ? "# ": "").$var.' := '.$value; if (defined $comment) { $line .= '# '.$comment; } } else { if (defined $comment) { $line = '# '.$comment; } else { $line = ''; } } return $line; } sub updateConfig($$) { my ($src,$dest) = @_; # die "test"; open(IN,'<'.$src) || die "can't read '$src' (Reason: $!)"; open(OUT,'>'.$dest) || die "can't write '$dest' (Reason: $!)"; foreach my $line () { chomp($line); my ($commented, $var, $value, $comment) = analyze_line($line); if ($var) { my $oline = undef; if (defined $allowDup{$var}) { my $dupId = $var.'#'.$value; $oline = $old{$dupId}; } else { $oline = $old{$var}; } if (defined $oline) { my ($commented_old, $var_old, $value_old, $comment_old) = analyze_line($oline); print OUT gen_line($commented_old, $var_old, $value_old, $comment); # old settings, new comment } else { print OUT gen_line($commented, $var, $value, $comment); # line was not defined in old cfg } } else { print OUT gen_line($commented, $var, $value, $comment); # non-var line } print OUT "\n"; } close(OUT); close(IN); } sub main() { my $dest = $ARBHOME.'/config.makefile'; my $src = $dest.'.template'; if (not -f $dest) { my $cmd = "cp -p '$src' '$dest'"; system($cmd)==0 || die "Failed to execute '$cmd' (result=$?)"; } else { loadOldConfig($dest); my $backup = $dest.'.bak'; my $cmd = "cp -p '$dest' '$backup'"; system($cmd)==0 || die "Failed to execute '$cmd' (result=$?)"; my $new = $dest.'.new'; updateConfig($src,$new); $cmd = "cp -p '$new' '$dest'"; system($cmd)==0 || die "Failed to execute '$cmd' (result=$?)"; unlink($new); } } main(); ./arbsrc_9167/SOURCE_TOOLS/valgrind2grep0000755012664100000130000002142111440743001017605 0ustar arb_buildcoders#!/usr/bin/perl use warnings; use strict; use IO::Handle; # -------------------------------------------------------------------- customize here # top source directory my $topdir = "$ENV{ARBHOME}"; # list containing paths of all source files (generated by arb_valgrind) my $sourcelist = "$topdir/SOURCE_TOOLS/valgrind2grep.lst"; # prefix to write before hidden caller-lines # (-> emacs will not jump to them automatically, you have to remove the prefix first) my $unmark_callers = "(hide) "; # prefix to write before filtered lines my $unmark_filtered = "(filt) "; # prefix to write before other non-error lines my $unmark_rest = "(note) "; sub check_ignore($\$$) { my ($text,$ignore_r,$reason) = @_; if (not defined $$ignore_r) { # if you encounter errors/warnings in foreign libraries you wont be able to fix them. # To ignore them add a search expression here. # Please add current date as well, to make it easier to find outdated expressions. if ($reason =~ 'loss record') { # memory leaks # Xtoolkit leaks: if ($text =~ /\b(XtAppMainLoop)\b.*libXt/) { $$ignore_r = $&; return; } # 15/06/2009 } else { # illegal memory access # X11 bugs: if ($text =~ /\b(_X11TransWrite)\b.*libX11/) { $$ignore_r = $&; return; } # 24/11/2005 if ($text =~ /\b(_XSend)\b.*libX11/) { $$ignore_r = $&; return; } # 16/05/2009 # Xtoolkit bugs: if ($text =~ /\b(_XtGet(Sub)?[rR]esources)\b.*libXt/) { $$ignore_r = $&; return; } # 24/11/2005 if ($text =~ /\b(XtOpenApplication)\b.*libXt/) { $$ignore_r = $&; return; } # 13/06/2009 # motif bugs: if ($text =~ /\b(XmRenderTableCopy)\b.*libXm/) { $$ignore_r = $&; return; } # 09/02/2009 if ($text =~ /\b(XmRenderTableFree)\b.*libXm/) { $$ignore_r = $&; return; } # 09/02/2009 if ($text =~ /\b(XmIsMotifWMRunning)\b.*libXm/) { $$ignore_r = $&; return; } # 13/06/2009 } } } my $debug = 0; # --------------------------------------------------------------- customize till here # get args: my $args = scalar(@ARGV); if ($args<2 or $args>3) { die "Usage: valgrind2grep [--suppress-common]\n"; } my $callers = $ARGV[0]; my $filter = $ARGV[1]; my $suppress_common = 0; if ($args==3) { my $a = $ARGV[2]; if ($a eq '--suppress-common') { $suppress_common=1; } else { die "Unknown argument '$a'"; } } # use unbuffered I/O (otherwise pipe waits for valgrind to terminate???) my $in = new IO::Handle; $in->fdopen(fileno(STDIN),"r") || die "can't open STDIN"; my $out = new IO::Handle; $out->fdopen(fileno(STDOUT),"w") || die "can't open STDOUT"; # read list of source files: open(SOURCELIST,"<$sourcelist") || die "can't open $sourcelist"; my %fileIndex = (); sub addFileIndex($$) { my ($key,$val) = @_; if (not exists $fileIndex{$key}) { my @array = (); $fileIndex{$key} = \@array; } my $array_r = $fileIndex{$key}; push @$array_r, $val; } foreach () { chomp; addFileIndex($_,$_); # $fileIndex{$_} = $_; if (/\/([^\/]+)\/([^\/]+)$/) { my $last_dir = $1; my $fname = $2; addFileIndex($fname,$_); addFileIndex($last_dir.'/'.$fname,$_); # $fileIndex{$fname} = $_; # $fileIndex{$last_dir.'/'.$fname} = $_; } elsif (/\/([^\/]+)$/) { my $fname = $1; addFileIndex($fname,$_); # $fileIndex{$fname} = $_; } else { die "invalid entry in $sourcelist ('$_')" } } close(SOURCELIST); sub makeTargetAbsolute($$) { my ($abslink,$reltarget) = @_; if ($abslink =~ /\/[^\/]+$/o) { my $absdir = $`; while ($reltarget =~ /^..\//o) { $reltarget = $'; if ($absdir =~ /\/[^\/]+$/o) { $absdir = $`; } else { die "Can't detect parent dir of '$absdir'"; } } # print "absdir='$absdir' reltarget='$reltarget'\n"; return $absdir.'/'.$reltarget; } else { die "Can't detect parent dir of '$abslink'"; } } # make entries unique foreach (keys %fileIndex) { my $array_r = $fileIndex{$_}; my %unique = map { $_ => 1; } @$array_r; my $changed = 1; while ($changed==1) { $changed = 0; my @del = (); my @add = (); foreach (keys %unique) { my $target = undef; eval { $target = readlink($_); }; if ($@) { # a link with invalid target? push @del, $_; $out->print("Remove invalid link '$_' (Reason: $!)\n"); } elsif (defined $target) { # a link with valid target $target = makeTargetAbsolute($_,$target); push @del, $_; push @add, $target; # $out->print("Replace link '$_'\n by target '$target'\n"); # $out->print("Target '$target' exists:".(-e $target ? 'yes' : 'no')."\n"); } # else not a link } if (scalar(@del)) { foreach (@del) { delete $unique{$_}; } $changed=1; } if (scalar(@add)) { foreach (@add) { $unique{$_} = 1; } $changed=1; } } @$array_r = keys %unique; } $out->print("Settings: Showing $callers caller(s).\n"); $out->print(" Filtering with '$filter'.\n"); sub avoid_location($) { # invalidate everything emacs could missinterpret as error-location (i.e. '(file:lineno)') $_ = shift; s/([(].*)(:)(.*[)])/$1_$2_$3/ig; $_; } # variables: my $i; my $called_from = "called from"; my $reason = 'no reason yet'; my $caller_count = 0; # counts callers my $filtered = 0; # filter current error my $ignore = undef; my $last_ignore = ''; my $ignore_curr_line = 0; # the filter loop: while (not $in->eof) { # read one line: $_ = $in->getline; # convert error messages to grep format: if (/^([=\-0-9]+[ ]+)(.*)$/) { my $prefix = $1; my $content = $2; if ($content =~ /^([ab][ty].*)([(][^()]+[)])$/) { # looks like an valgrind error $content = $1; my $location = $2; if ($location =~ /[(](.*):(.*)[)]/) { # seems to have a valid '(file:line)' location at eol my ($file,$line) = ($1,$2); if ($filtered == 1) { $_ = $unmark_filtered.' '.&avoid_location($_); } else { my $array_r = $fileIndex{$file}; if (defined $array_r) { my @lines = (); if (scalar(@$array_r)>1) { push @lines, $unmark_rest."Multiple occurrances of '$file' - not sure which location is the correct one\n"; } if ($reason eq $called_from) { # its a caller $caller_count++; } else { $caller_count = 0; } foreach my $replace (@$array_r) { if (not -f $replace) { $_ = "$sourcelist:1: might be outdated ($replace does not exist)\n"; } else { $_ = "$replace:$line: $reason ($content)\n"; if ($caller_count > $callers) { $_ = $unmark_callers.$_; } # hide this caller } push @lines, $_; } $reason = $called_from; $_ = join '', @lines; } else { # location in unavailable file (i.e. in library) $_ = $unmark_rest.$prefix.$reason." $content (in unavailable file $file line $line)\n"; } } } else { # valgrind error w/o location $_=$unmark_rest.' '.$_; if ($suppress_common==1) { check_ignore($_, $ignore, $reason); } } } else { # no location found if ($content =~ /^TRANSLATE: / or $content =~ /^Reading syms from/ or $content =~ /object doesn.t have a/) { $ignore_curr_line = 1; } elsif ($content =~ /^[ ]*$/) { $ignore = undef; $_ = '( ) '.$_; } else { $reason = $content; $_='( ) '.$_; # should that reason be filtered ? if ($reason =~ /alloc\'d/) { # an allocator message (applies to last message) -> so never filter $reason = "ORIGIN: $reason"; # keep $ignore like before } else { if ($reason =~ /$filter/i) { $filtered = 0; } else { $filtered = 1; } if ($filtered == 1) { $ignore = undef; } } } } } # print out line if ($ignore_curr_line==0) { if (not defined $ignore) { $out->print($_); $out->flush; $last_ignore = ''; } else { if ($ignore ne $last_ignore) { s/^\(note\)[ ]*//; $out->print("(igno) '$ignore' ".$_); $out->print("(skip) further messages suppressed\n"); $out->flush; $last_ignore = $ignore; } else { if ($debug==1) { $out->print("(comm) ".$_); $out->flush; } } } } else { if ($debug==1) { $out->print("(SUPP) ".$_); $out->flush(); } $ignore_curr_line = 0; } } $in->close; $out->close; ./arbsrc_9167/SOURCE_TOOLS/version_info0000644012664100000130000000005012051173043017531 0ustar arb_buildcodersMINOR=5 MAJOR=5 last_upgrade=1352987910 ./arbsrc_9167/STAT/Makefile0000644012664100000130000000623611440743001015353 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = ST_quality.o ST_ml.o ST_window.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl ST_ml.o: st_ml.hxx ST_ml.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ST_ml.o: $(ARBHOME)/INCLUDE/ad_prot.h ST_ml.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ST_ml.o: $(ARBHOME)/INCLUDE/arb_assert.h ST_ml.o: $(ARBHOME)/INCLUDE/arbdb.h ST_ml.o: $(ARBHOME)/INCLUDE/arbdb_base.h ST_ml.o: $(ARBHOME)/INCLUDE/arbdbt.h ST_ml.o: $(ARBHOME)/INCLUDE/attributes.h ST_ml.o: $(ARBHOME)/INCLUDE/aw_awars.hxx ST_ml.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx ST_ml.o: $(ARBHOME)/INCLUDE/aw_root.hxx ST_ml.o: $(ARBHOME)/INCLUDE/awt_csp.hxx ST_ml.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx ST_ml.o: $(ARBHOME)/INCLUDE/awt_tree.hxx ST_quality.o: st_ml.hxx ST_quality.o: st_quality.hxx ST_quality.o: st_window.hxx ST_quality.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ST_quality.o: $(ARBHOME)/INCLUDE/ad_prot.h ST_quality.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ST_quality.o: $(ARBHOME)/INCLUDE/arb_assert.h ST_quality.o: $(ARBHOME)/INCLUDE/arbdb.h ST_quality.o: $(ARBHOME)/INCLUDE/arbdb_base.h ST_quality.o: $(ARBHOME)/INCLUDE/arbdbt.h ST_quality.o: $(ARBHOME)/INCLUDE/attributes.h ST_quality.o: $(ARBHOME)/INCLUDE/aw_awars.hxx ST_quality.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx ST_quality.o: $(ARBHOME)/INCLUDE/aw_root.hxx ST_quality.o: $(ARBHOME)/INCLUDE/awt_csp.hxx ST_quality.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx ST_quality.o: $(ARBHOME)/INCLUDE/awt_tree.hxx ST_quality.o: $(ARBHOME)/INCLUDE/BI_helix.hxx ST_window.o: st_ml.hxx ST_window.o: st_quality.hxx ST_window.o: st_window.hxx ST_window.o: $(ARBHOME)/INCLUDE/ad_k_prot.h ST_window.o: $(ARBHOME)/INCLUDE/ad_prot.h ST_window.o: $(ARBHOME)/INCLUDE/ad_t_prot.h ST_window.o: $(ARBHOME)/INCLUDE/arb_assert.h ST_window.o: $(ARBHOME)/INCLUDE/arbdb.h ST_window.o: $(ARBHOME)/INCLUDE/arbdb_base.h ST_window.o: $(ARBHOME)/INCLUDE/arbdbt.h ST_window.o: $(ARBHOME)/INCLUDE/attributes.h ST_window.o: $(ARBHOME)/INCLUDE/aw_awars.hxx ST_window.o: $(ARBHOME)/INCLUDE/aw_color_groups.hxx ST_window.o: $(ARBHOME)/INCLUDE/aw_device.hxx ST_window.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx ST_window.o: $(ARBHOME)/INCLUDE/aw_position.hxx ST_window.o: $(ARBHOME)/INCLUDE/aw_root.hxx ST_window.o: $(ARBHOME)/INCLUDE/aw_window.hxx ST_window.o: $(ARBHOME)/INCLUDE/awt.hxx ST_window.o: $(ARBHOME)/INCLUDE/awt_csp.hxx ST_window.o: $(ARBHOME)/INCLUDE/awt_item_sel_list.hxx ST_window.o: $(ARBHOME)/INCLUDE/awt_pro_a_nucs.hxx ST_window.o: $(ARBHOME)/INCLUDE/awt_sel_boxes.hxx ST_window.o: $(ARBHOME)/INCLUDE/awt_tree.hxx ./arbsrc_9167/STAT/ST_ml.cxx0000644012664100000130000006115611440743001015457 0ustar arb_buildcoders#include #include #include #include #include // #include #include #include #include #include #include #include #include "st_ml.hxx" #define st_assert(bed) arb_assert(bed) AWT_dna_table awt_dna_table; AWT_dna_table::AWT_dna_table() { int i; for (i = 0; i < 256; i++) { switch (toupper(i)) { case 'A': char_to_enum_table[i] = ST_A; break; case 'C': char_to_enum_table[i] = ST_C; break; case 'G': char_to_enum_table[i] = ST_G; break; case 'T': case 'U': char_to_enum_table[i] = ST_T; break; case '-': char_to_enum_table[i] = ST_GAP; break; default: char_to_enum_table[i] = ST_UNKNOWN; } } } void ST_base_vector::set(char base, ST_base_vector * inv_frequencies) { base = toupper(base); memset((char *) &b[0], 0, sizeof(b)); const double k = 1.0 / ST_MAX_BASE; AWT_dna_base ub = awt_dna_table.char_to_enum(base); if (ub != ST_UNKNOWN) { b[ub] = 1.0; } else { b[ST_A] = k; b[ST_C] = k; b[ST_G] = k; b[ST_T] = k; b[ST_GAP] = k; } int i; for (i = 0; i < ST_MAX_BASE; i++) { b[i] *= inv_frequencies->b[i]; } ld_lik = 0; lik = 1.0; } void ST_base_vector::print() { int i; for (i = 0; i < ST_MAX_BASE; i++) { printf("%.3G ", b[i]); } } void ST_rate_matrix::set(double dist, double /*TT_ratio */) { int i, j; double k = 1.0 / ST_MAX_BASE; for (i = 0; i < ST_MAX_BASE; i++) { m[i][i] = k + (1.0 - k) * exp(-dist); for (j = 0; j < i; j++) { m[j][i] = m[i][j] = k - k * exp(-dist); } } } void ST_rate_matrix::print() { int i, j; for (i = 0; i < ST_MAX_BASE; i++) { for (j = 0; j < ST_MAX_BASE; j++) { printf("%.3G ", m[i][j]); } printf("\n"); } } #if 0 GB_INLINE void ST_rate_matrix::mult(ST_base_vector * in, ST_base_vector * out) { int i, j; float *pm = &m[0][0]; double sum; for (i = ST_MAX_BASE - 1; i >= 0; i--) { sum = 0; for (j = ST_MAX_BASE - 1; j >= 0; j--) { sum += *(pm++) * in->b[j]; } out->b[i] = sum; } out->ld_lik = in->ld_lik; out->lik = in->lik; } #else inline void ST_base_vector::mult(ST_base_vector * other) { float *a = &b[0]; float *c = &other->b[0]; double a0 = a[0] * c[0]; double a1 = a[1] * c[1]; double a2 = a[2] * c[2]; double a3 = a[3] * c[3]; double a4 = a[4] * c[4]; b[0] = a0; b[1] = a1; b[2] = a2; b[3] = a3; b[4] = a4; ld_lik += other->ld_lik; lik *= other->lik; } inline void ST_rate_matrix::mult(ST_base_vector * in, ST_base_vector * out) { int i; float *pm = &m[0][0]; for (i = ST_MAX_BASE - 1; i >= 0; i--) { // calc revers double sum0 = pm[4] * in->b[0]; double sum1 = pm[3] * in->b[1]; double sum2 = pm[2] * in->b[2]; double sum3 = pm[1] * in->b[3]; double sum4 = pm[0] * in->b[4]; pm += ST_MAX_BASE; out->b[i] = (sum0 + sum1) + sum4 + (sum2 + sum3); } out->ld_lik = in->ld_lik; out->lik = in->lik; } #endif ST_sequence_ml::ST_sequence_ml(AP_tree_root * rooti, ST_ML * st_mli) : AP_sequence(rooti) { gb_data = 0; st_ml = st_mli; sequence = new ST_base_vector[ST_MAX_SEQ_PART]; color_out = NULL; color_out_valid_till = NULL; last_updated = 0; } void st_sequence_callback(GBDATA *, int *cl, gb_call_back_type) { ST_sequence_ml *seq = (ST_sequence_ml *) cl; seq->sequence_change(); } void st_sequence_del_callback(GBDATA *, int *cl, gb_call_back_type) { ST_sequence_ml *seq = (ST_sequence_ml *) cl; seq->delete_sequence(); } void ST_sequence_ml::delete_sequence() { if (gb_data) GB_remove_callback(gb_data, GB_CB_CHANGED, st_sequence_callback, (int *) this); if (gb_data) GB_remove_callback(gb_data, GB_CB_DELETE, st_sequence_del_callback, (int *) this); gb_data = 0; } void ST_sequence_ml::sequence_change() { st_ml->clear_all(); } ST_sequence_ml::~ST_sequence_ml() { delete[]sequence; delete color_out; delete color_out_valid_till; delete_sequence(); } AP_sequence *ST_sequence_ml::dup() { return new ST_sequence_ml(root, st_ml); } void ST_sequence_ml::set_gb(GBDATA * gbd) { delete_sequence(); gb_data = gbd; GB_add_callback(gb_data, GB_CB_CHANGED, st_sequence_callback, (int *) this); GB_add_callback(gb_data, GB_CB_DELETE, st_sequence_del_callback, (int *) this); } void ST_sequence_ml::set(const char *) { st_assert(0); // function does nothing, so i assert it wont be called -- ralf may 2008 } /** Transform the sequence from character to vector, from st_ml->base to 'to' */ void ST_sequence_ml::set_sequence() { int i = st_ml->base; const char *source_sequence = 0; int source_sequence_len = 0; if (gb_data) { source_sequence_len = (int) GB_read_string_count(gb_data); source_sequence = GB_read_char_pntr(gb_data); } const char *s = source_sequence + st_ml->base; ST_base_vector *dest = sequence; ST_base_vector *freq = st_ml->inv_base_frequencies + st_ml->base; if (st_ml->base < source_sequence_len) { for (; i < st_ml->to; i++) { int c = *(s++); if (!c) break; // end of sequence dest->set(toupper(c), freq); dest++; freq++; } } for (; i < st_ml->to; i++) { dest->set('.', freq); dest++; freq++; } } AP_FLOAT ST_sequence_ml::combine(const AP_sequence *, const AP_sequence *) { return 0.0; } // void ST_sequence_ml::partial_match(const AP_sequence *part, long *overlap, long *penalty) const void ST_sequence_ml::partial_match(const AP_sequence *, long *, long *) const { st_assert(0); // should be unused } GB_INLINE void ST_base_vector::check_overflow() { double sum = 0.0; int i; for (i = 0; i < ST_MAX_BASE; i++) { sum += b[i]; } if (sum < .00001) { // what happend no data, extremely unlikely for (i = 0; i < ST_MAX_BASE; i++) b[i] = .25; ld_lik -= 5; // ??? } else { while (sum < 0.25) { sum *= 4; ld_lik -= 2; for (i = 0; i < ST_MAX_BASE; i++) { b[i] *= 4; } } } if (ld_lik> 10000) { printf("overflow\n"); } } void ST_sequence_ml::ungo() { last_updated = 0; } void ST_sequence_ml::go(const ST_sequence_ml * lefts, double leftl, const ST_sequence_ml * rights, double rightl) { int pos; ST_base_vector hbv; double lc = leftl / st_ml->step_size; double rc = rightl / st_ml->step_size; int maxm = st_ml->max_matr - 1; ST_base_vector *lb = lefts->sequence; ST_base_vector *rb = rights->sequence; ST_base_vector *dest = sequence; for (pos = st_ml->base; pos < st_ml->to; pos++) { if (lb->lik != 1 || rb->lik != 1) { printf("error\n"); } int distl = (int) (st_ml->rates[pos] * lc); int distr = (int) (st_ml->rates[pos] * rc); if (distl < 0) distl = -distl; if (distl > maxm) distl = maxm; if (distr < 0) distr = -distr; if (distr > maxm) distr = maxm; st_ml->rate_matrizes[distl].mult(lb, dest); st_ml->rate_matrizes[distr].mult(rb, &hbv); dest->mult(&hbv); dest->check_overflow(); if (dest->lik != 1) { printf("error2\n"); } dest++; lb++; rb++; } } ST_base_vector *ST_sequence_ml::tmp_out = 0; /** result will be in tmp_out */ void ST_sequence_ml::calc_out(ST_sequence_ml * next_branch, double dist) { int pos; ST_base_vector *out = tmp_out + st_ml->base; double lc = dist / st_ml->step_size; ST_base_vector *lefts = next_branch->sequence; int maxm = st_ml->max_matr - 1; for (pos = st_ml->base; pos < st_ml->to; pos++) { int distl = (int) (st_ml->rates[pos] * lc); if (distl < 0) distl = -distl; if (distl > maxm) distl = maxm; st_ml->rate_matrizes[distl].mult(lefts, out); // correct frequencies for (int i = ST_A; i < ST_MAX_BASE; i++) { out->b[i] *= st_ml->base_frequencies[pos].b[i]; } lefts++; out++; } } void ST_sequence_ml::print() { int i; for (i = 0; i < ST_MAX_SEQ_PART; i++) { printf("POS %3i %c ", i, GB_read_char_pntr(gb_data)[i]); printf("\n"); } } ST_ML::ST_ML(GBDATA * gb_maini) { memset((char *) this, 0, sizeof(*this)); gb_main = gb_maini; } ST_ML::~ST_ML() { if (tree_root) { delete tree_root->tree; tree_root->tree = 0; delete tree_root; } free(alignment_name); if (hash_2_ap_tree) GBS_free_hash(hash_2_ap_tree); delete not_valid; delete[]base_frequencies; delete[]inv_base_frequencies; delete[]rate_matrizes; if (!awt_csp) { delete rates; delete ttratio; } //delete awt_csp; // no sorry } void ST_ML::print() { ; } /** Translate characters to base frequencies */ void ST_ML::create_frequencies() { ST_base_vector *out = new ST_base_vector[alignment_len]; int i, j; float **frequency = 0; base_frequencies = out; inv_base_frequencies = new ST_base_vector[alignment_len]; if (awt_csp) frequency = awt_csp->frequency; if (!frequency) { for (i = 0; i < alignment_len; i++) { for (j = ST_A; j < ST_MAX_BASE; j++) { out[i].b[j] = 1.0; inv_base_frequencies[i].b[j] = 1.0; } out[i].lik = 1.0; inv_base_frequencies[i].lik = 1.0; } return; } for (i = 0; i < alignment_len; i++) { for (j = ST_A; j < ST_MAX_BASE; j++) { out[i].b[j] = 0.01; // minimal frequency } if (frequency['A']) out[i].b[ST_A] += frequency['A'][i]; if (frequency['a']) out[i].b[ST_A] += frequency['a'][i]; if (frequency['C']) out[i].b[ST_C] += frequency['C'][i]; if (frequency['c']) out[i].b[ST_C] += frequency['c'][i]; if (frequency['G']) out[i].b[ST_G] += frequency['G'][i]; if (frequency['g']) out[i].b[ST_G] += frequency['g'][i]; if (frequency['T']) out[i].b[ST_T] += frequency['T'][i]; if (frequency['t']) out[i].b[ST_T] += frequency['t'][i]; if (frequency['U']) out[i].b[ST_T] += frequency['U'][i]; if (frequency['u']) out[i].b[ST_T] += frequency['u'][i]; if (frequency['-']) out[i].b[ST_GAP] += frequency['-'][i]; double sum = 0.0; for (j = ST_A; j < ST_MAX_BASE; j++) sum += out[i].b[j]; for (j = ST_A; j < ST_MAX_BASE; j++) out[i].b[j] += sum * .01; // smoothen frequencies to avoid crazy values double min = out[i].b[ST_A]; for (sum = 0, j = ST_A; j < ST_MAX_BASE; j++) { sum += out[i].b[j]; if (out[i].b[j] < min) min = out[i].b[j]; } for (j = ST_A; j < ST_MAX_BASE; j++) { if (sum > 0.01) { // valid column ?? out[i].b[j] *= ST_MAX_BASE / sum; } else { out[i].b[j] = 1.0; // no } inv_base_frequencies[i].b[j] = min / out[i].b[j]; } out[i].lik = 1.0; inv_base_frequencies[i].lik = 1.0; } } void ST_ML::insert_tree_into_hash_rek(AP_tree * node) { node->gr.gc = 0; if (node->is_leaf) { GBS_write_hash(hash_2_ap_tree, node->name, (long) node); } else { insert_tree_into_hash_rek(node->leftson); insert_tree_into_hash_rek(node->rightson); } } void ST_ML::create_matrizes(double max_disti, int nmatrizes) { max_dist = max_disti; if (rate_matrizes) delete rate_matrizes; rate_matrizes = new ST_rate_matrix[nmatrizes]; max_matr = nmatrizes; step_size = max_dist / max_matr; int i; for (i = 0; i < max_matr; i++) { rate_matrizes[i].set((i + 1) * step_size, 0); // ttratio[i] } } long ST_ML::delete_species(const char *key, long val, void *cd_st_ml) { ST_ML *st_ml = (ST_ML*)cd_st_ml; if (GBS_read_hash(st_ml->keep_species_hash, key)) { return val; } else { AP_tree *leaf = (AP_tree *) val; AP_tree *father = leaf->father; leaf->remove(); delete father; // deletes me also return 0; } } inline GB_ERROR tree_size_ok(AP_tree_root *tree_root) { GB_ERROR error = NULL; if (!tree_root->tree || tree_root->tree->is_leaf) { const char *tree_name = tree_root->tree_name; error = GBS_global_string("Too few species remained in tree '%s'", tree_name); } return error; } /** this is the real constructor, call only once */ GB_ERROR ST_ML::init(const char *tree_name, const char *alignment_namei, const char *species_names, int marked_only, const char * /*filter_string */, AWT_csp * awt_cspi) { GB_transaction ta(gb_main); GB_ERROR error = 0; if (is_inited) { return GB_export_error("Sorry, once you selected a column statistic you cannot change parameters"); } GB_ERROR awt_csp_error = 0; awt_csp = awt_cspi; awt_csp_error = awt_csp->go(); if (awt_csp_error) { fprintf(stderr, "%s\n", awt_csp_error); } alignment_name = strdup(alignment_namei); alignment_len = GBT_get_alignment_len(gb_main, alignment_name); if (alignment_len < 10) { free(alignment_name); return GB_await_error(); } AP_tree *tree = new AP_tree(0); tree_root = new AP_tree_root(gb_main, tree, tree_name); error = tree->load(tree_root, 0, GB_FALSE, GB_FALSE, 0, 0); // tree is not linked !!! if (error) { delete tree; tree = 0; delete tree_root; tree_root = 0; return error; } tree_root->tree = tree; // aw_openstatus("Initializing Online Statistic"); /* send species into hash table */ hash_2_ap_tree = GBS_create_hash(1000, GB_MIND_CASE); // aw_status("Loading Tree"); /* delete species */ if (species_names) { // keep names tree_root->tree->remove_leafs(gb_main, AWT_REMOVE_DELETED); error = tree_size_ok(tree_root); if (error) return ta.close(error); char *l, *n; keep_species_hash = GBS_create_hash(GBT_get_species_hash_size(gb_main), GB_MIND_CASE); for (l = (char *) species_names; l; l = n) { n = strchr(l, 1); if (n) *n = 0; GBS_write_hash(keep_species_hash, l, 1); if (n) *(n++) = 1; } insert_tree_into_hash_rek(tree_root->tree); GBS_hash_do_loop(hash_2_ap_tree, delete_species, this); GBS_free_hash(keep_species_hash); keep_species_hash = 0; GBT_link_tree((GBT_TREE *) tree_root->tree, gb_main, GB_FALSE, 0, 0); } else { // keep marked GBT_link_tree((GBT_TREE *) tree_root->tree, gb_main, GB_FALSE, 0, 0); tree_root->tree->remove_leafs(gb_main, (marked_only ? AWT_REMOVE_NOT_MARKED : 0)|AWT_REMOVE_DELETED); error = tree_size_ok(tree_root); if (error) return ta.close(error); insert_tree_into_hash_rek(tree_root->tree); } /* calc frequencies */ if (!awt_csp_error) { rates = awt_csp->rates; ttratio = awt_csp->ttratio; } else { rates = new float[alignment_len]; ttratio = new float[alignment_len]; for (int i = 0; i < alignment_len; i++) { rates[i] = 1.0; ttratio[i] = 2.0; } awt_csp = 0; } // aw_status("build frequencies"); create_frequencies(); /* set update time */ latest_modification = GB_read_clock(gb_main); /* load sequences */ // aw_status("load sequences"); tree_root->sequence_template = new ST_sequence_ml(tree_root, this); tree_root->tree->load_sequences_rek(alignment_name, GB_TRUE, GB_TRUE); /* create matrizes */ create_matrizes(2.0, 1000); ST_sequence_ml::tmp_out = new ST_base_vector[alignment_len]; is_inited = 1; // aw_closestatus(); return 0; } /** go through the tree and calculate the ST_base_vector from bottom to top */ ST_sequence_ml *ST_ML::do_tree(AP_tree * node) { ST_sequence_ml *seq = static_cast(node->sequence); if (!seq) { seq = new ST_sequence_ml(tree_root, this); node->sequence = (AP_sequence *) seq; } if (seq->last_updated) return seq; // already valid !!! if (node->is_leaf) { seq->set_sequence(); } else { ST_sequence_ml *ls = do_tree(node->leftson); ST_sequence_ml *rs = do_tree(node->rightson); seq->go(ls, node->leftlen, rs, node->rightlen); } seq->last_updated = 1; return seq; } void ST_ML::clear_all() { GB_transaction dummy(gb_main); undo_tree(tree_root->tree); latest_modification = GB_read_clock(gb_main); } void ST_ML::undo_tree(AP_tree * node) { ST_sequence_ml *seq = static_cast(node->sequence); if (!seq) { seq = new ST_sequence_ml(tree_root, this); node->sequence = (AP_sequence *) seq; } seq->ungo(); if (!node->is_leaf) { undo_tree(node->leftson); undo_tree(node->rightson); } } /* result will be in tmp_out */ /* assert end_ali_pos - start_ali_pos < ST_MAX_SEQ_PART */ // @@@ CAUTION!!! get_ml_vectors has a bug: it does not calculate the last value, if (end_ali_pos-start_ali_pos+1)==ST_MAX_SEQ_PART ST_sequence_ml *ST_ML::get_ml_vectors(char *species_name, AP_tree * node, int start_ali_pos, int end_ali_pos) { if (!node) { if (!hash_2_ap_tree) return 0; node = (AP_tree *) GBS_read_hash(hash_2_ap_tree, species_name); if (!node) return 0; } st_assert((end_ali_pos - start_ali_pos + 1) <= ST_MAX_SEQ_PART); ST_sequence_ml *seq = (ST_sequence_ml *) node->sequence; if (start_ali_pos != base || end_ali_pos > to) { undo_tree(tree_root->tree); // undo everything base = start_ali_pos; to = end_ali_pos; } AP_tree *pntr; for (pntr = node->father; pntr; pntr = pntr->father) { ST_sequence_ml *sequ = (ST_sequence_ml *) pntr->sequence; if (sequ) sequ->ungo(); } node->set_root(); // get the sequence of my brother AP_tree *brother = node->brother(); ST_sequence_ml *seq_of_brother = do_tree(brother); seq->calc_out(seq_of_brother, node->father->leftlen + node->father->rightlen); return seq; } int ST_ML::update_ml_likelihood(char *result[4], int *latest_update, char *species_name, AP_tree * node) // calculates values for 'Detailed column statistics' in ARB_EDIT4 { if (*latest_update >= latest_modification) return 1; // if node isn't given search it using species name: if (!node) { if (!hash_2_ap_tree) return 0; node = (AP_tree *) GBS_read_hash(hash_2_ap_tree, species_name); if (!node) return 0; } AWT_dna_base adb[4]; int i; if (!result[0]) { // allocate Array-elements for result for (i = 0; i < 4; i++) { result[i] = (char *) GB_calloc(1, alignment_len + 1); // 0..alignment_len } } for (i = 0; i < 4; i++) { adb[i] = awt_dna_table.char_to_enum("ACGU"[i]); } for (int seq_start = 0; seq_start < alignment_len; seq_start += (ST_MAX_SEQ_PART - 1)) { // ^^^^^^^^^^^^^^^^^^^ work-around for bug in get_ml_vectors int seq_end = alignment_len; if ((seq_end - seq_start) >= ST_MAX_SEQ_PART) { seq_end = seq_start + (ST_MAX_SEQ_PART - 1); } get_ml_vectors(0, node, seq_start, seq_end); } ST_sequence_ml *seq = (ST_sequence_ml *) node->sequence; for (int pos = 0; pos < alignment_len; pos++) { ST_base_vector & vec = seq->tmp_out[pos]; double sum = vec.b[ST_A] + vec.b[ST_C] + vec.b[ST_G] + vec.b[ST_T] + vec.b[ST_GAP]; if (sum == 0) { for (i = 0; i < 4; i++) { result[i][pos] = -1; } } else { double div = 100.0 / sum; for (i = 0; i < 4; i++) { result[i][pos] = char ((vec.b[adb[i]] * div) + 0.5); } } } *latest_update = latest_modification; return 1; } ST_ML_Color *ST_ML::get_color_string(char *species_name, AP_tree * node, int start_ali_pos, int end_ali_pos) // (Re-)Calculates the color string of a given node for sequence positions start_ali_pos..end_ali_pos { // if node isn't given search it using species name: if (!node) { if (!hash_2_ap_tree) return 0; node = (AP_tree *) GBS_read_hash(hash_2_ap_tree, species_name); if (!node) return 0; } // align start_ali_pos/end_ali_pos to previous/next pos divisible by ST_BUCKET_SIZE: start_ali_pos &= ~(ST_BUCKET_SIZE - 1); end_ali_pos = (end_ali_pos & ~(ST_BUCKET_SIZE - 1)) + ST_BUCKET_SIZE - 1; if (end_ali_pos > alignment_len) end_ali_pos = alignment_len; double val; ST_sequence_ml *seq = (ST_sequence_ml *) node->sequence; int pos; if (!seq->color_out) { // allocate mem for color_out if we not already have it seq->color_out = (ST_ML_Color *) GB_calloc(sizeof(ST_ML_Color), alignment_len); seq->color_out_valid_till = (int *) GB_calloc(sizeof(int), (alignment_len >> LD_BUCKET_SIZE) + ST_BUCKET_SIZE); } // search for first out-dated position: for (pos = start_ali_pos; pos <= end_ali_pos; pos += ST_BUCKET_SIZE) { if (seq->color_out_valid_till[pos >> LD_BUCKET_SIZE] < latest_modification) break; } if (pos > end_ali_pos) { // all positions are up-to-date return seq->color_out; // => return existing result } ST_base_vector *vec; int start; for (start = start_ali_pos; start <= end_ali_pos; start += (ST_MAX_SEQ_PART - 1)) { // ^^^^^^^^^^^^^^^^^^^ work-around for bug in get_ml_vectors int end = end_ali_pos; if (end - start >= ST_MAX_SEQ_PART) end = start + (ST_MAX_SEQ_PART - 1); get_ml_vectors(0, node, start, end); // calculates tmp_out (see below) } const char *source_sequence = 0; int source_sequence_len = 0; if (seq->gb_data) { source_sequence_len = GB_read_string_count(seq->gb_data); source_sequence = GB_read_char_pntr(seq->gb_data); } // create color string in 'outs': ST_ML_Color *outs = seq->color_out + start_ali_pos; vec = seq->tmp_out + start_ali_pos; // tmp_out was calculated by get_ml_vectors above const char *source = source_sequence + start_ali_pos; for (pos = start_ali_pos; pos <= end_ali_pos; pos++) { // search max vec for pos: double max = 0; double v; { int b; for (b = ST_A; b < ST_MAX_BASE; b++) { v = vec->b[b]; if (v > max) max = v; } } { AWT_dna_base b = awt_dna_table.char_to_enum(*source); // convert seq-character to enum AWT_dna_base *outs = 0; if (b != ST_UNKNOWN) { val = max / (0.0001 + vec->b[b]); // calc ratio of max/real base-char if (val > 1.0) { // if real base-char is NOT the max-likely base-char *outs = (int) (log(val)); // => insert color } } } outs++; vec++; source++; seq->color_out_valid_till[pos >> LD_BUCKET_SIZE] = latest_modification; } return seq->color_out; } ./arbsrc_9167/STAT/st_ml.hxx0000644012664100000130000001125411440743001015556 0ustar arb_buildcoders#ifndef ARB_ASSERT_H #include #endif #define st_assert(bed) arb_assert(bed) enum AWT_dna_base { ST_A, ST_C, ST_G, ST_T, ST_GAP, ST_MAX_BASE, ST_UNKNOWN = -1 }; extern class AWT_dna_table { char char_to_enum_table[256]; public: AWT_dna_base char_to_enum(char i) { return (AWT_dna_base)char_to_enum_table[(unsigned char)i]; } AWT_dna_table(); } awt_dna_table; typedef unsigned char ST_ML_Color; const int ST_MAX_SEQ_PART = 256; // should be greater than the editor width // otherwise extrem performance penalties const int ST_BUCKET_SIZE = 16; // at minumum ST_BUCKET_SIZE characters are calculated per call const int LD_BUCKET_SIZE = 4; // log dualis of ST_BUCKET_SIZE class ST_base_vector { public: float b[ST_MAX_BASE]; // acgt- int ld_lik; float lik; // likelihood = 2^ld_lik * lik * (b[0] + b[1] + b[2] ..) void set(char base, ST_base_vector *frequencies); inline void mult(ST_base_vector *other); void check_overflow(); void print(); }; class ST_rate_matrix { float m[ST_MAX_BASE][ST_MAX_BASE]; public: void set(double dist, double TT_ratio); inline void mult(ST_base_vector *in, ST_base_vector *out); void print(); }; class ST_ML; class AWT_csp; /** Note: Because we have only limited memory we split the sequence into ST_MAX_SEQ_PART long parts */ class ST_sequence_ml : private AP_sequence { friend class ST_ML; public: GBDATA *gb_data; // the sequence static ST_base_vector *tmp_out; // len = alignment length protected: ST_ML *st_ml; // link to a global ST object ST_base_vector *sequence; // A part of the sequence int last_updated; ST_ML_Color *color_out; int *color_out_valid_till; // color_out is valid up to public: void delete_sequence(); // remove link to database void sequence_change(); // sequence has changed in db AP_FLOAT combine(const AP_sequence* lefts, const AP_sequence *rights); void partial_match(const AP_sequence* part, long *overlap, long *penalty) const; ST_sequence_ml(AP_tree_root *rooti, ST_ML *st_ml); ~ST_sequence_ml(); AP_sequence *dup(void); void set(const char *sequence); void set_gb(GBDATA *gbd); void set_sequence(); // start at st_ml->base void go(const ST_sequence_ml *lefts, double leftl, const ST_sequence_ml *rights, double rightl); void ungo(); // undo go void calc_out(ST_sequence_ml *sequence_of_brother, double dist); void print(); }; class AW_window; typedef void (*AW_CB0)(AW_window*); class ST_ML { char *alignment_name; friend AP_tree *st_ml_convert_species_name_to_node(ST_ML *st_ml, const char *species_name); GB_HASH *hash_2_ap_tree; // hash table to get from name to tree_node GB_HASH *keep_species_hash; // temporary hash to find int refresh_n; int *not_valid; // which columns are valid ST_sequence_ml *do_tree(AP_tree *node); void undo_tree(AP_tree *node); //opposite of do_tree void insert_tree_into_hash_rek(AP_tree *node); void create_matrizes(double max_disti, int nmatrizes); void create_frequencies(); static long delete_species(const char *key, long val, void *cd_st_ml); public: AP_tree_root *tree_root; int latest_modification; // last mod; int base; int to; AW_CB0 refresh_func; AW_window *aw_window; GBDATA *gb_main; float *ttratio; // column independent ST_base_vector *base_frequencies; // column independent ST_base_vector *inv_base_frequencies; // column independent float *rates; // column independent double max_dist; // max_dist for rate_matrizes double step_size; // max_dist/step_size matrizes int max_matr; ST_rate_matrix *rate_matrizes; // for each distance a new matrix long alignment_len; AWT_csp *awt_csp; void set_modified(int *what = 0); void set_refresh(); // set flag for refresh ~ST_ML(); ST_ML(GBDATA *gb_main); void print(); int is_inited; GB_ERROR init(const char *tree_name, const char *alignment_name, const char *species_names, int marked_only, const char *filter_string, AWT_csp *awt_csp); // species_names is 0 -> all [marked] species (else species_names is a (char)1 seperated list of species) // filter_string==0 -> no filter void clear_all(); // delete all caches ST_sequence_ml *get_ml_vectors(char *species_name, AP_tree *node, int start_ali_pos, int end_ali_pos); ST_ML_Color *get_color_string(char *species_name, AP_tree *node, int start_ali_pos, int end_ali_pos); int update_ml_likelihood(char *result[4], int *latest_update, char *species_name, AP_tree *node); int refresh_needed(); }; ./arbsrc_9167/STAT/ST_quality.cxx0000644012664100000130000001652611440743001016540 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include "st_ml.hxx" #include "st_window.hxx" #include "st_quality.hxx" st_cq_stat::st_cq_stat(int isize) { size = isize; likelihoods = new double[size]; square_liks = new double[size]; n_elems = new int[size]; int i; for (i = 0; i < size; i++) { n_elems[i] = 0; square_liks[i] = 0; likelihoods[i] = 0; } } st_cq_stat::~st_cq_stat() { delete[]square_liks; delete[]likelihoods; delete[]n_elems; } void st_cq_stat::add(int pos, double lik) { assert(pos >= 0 && pos < size); likelihoods[pos] += lik; square_liks[pos] += lik * lik; n_elems[pos]++; } char *st_cq_stat::generate_string() { int i; double sum_lik = 0; double square_sum_lik = 0; int sum_elems = 0; char *res = new char[size + 1]; for (i = 0; i < size; i++) { sum_lik += likelihoods[i]; square_sum_lik += square_liks[i]; sum_elems += n_elems[i]; res[i] = '.'; } res[size] = 0; if (sum_elems == 0) { return res; } double mean_lik = sum_lik / sum_elems; double mean_sigma = sqrt(square_sum_lik / sum_elems - mean_lik * mean_lik); for (i = 0; i < size; i++) { if (n_elems[i] <= 1) continue; double variance = mean_sigma / sqrt(n_elems[i]); double diff = likelihoods[i] / n_elems[i] - mean_lik; double val = .7 * diff / variance; int ival = int (val + .5) + 5; if (ival > 9) ival = 9; if (ival < 0) ival = 0; res[i] = '0' + ival; if (res[i] == '5') res[i] = '-'; } return res; } st_cq_info::st_cq_info(int seq_len, int bucket_size) : ss2(2), ss5(5), ssu(seq_len / bucket_size + 1), sscon(2) { ; } st_cq_info::~st_cq_info() { ; } void st_ml_add_sequence_part_to_stat(ST_ML * st_ml, AWT_csp * /*awt_csp */, const char *species_name, int seq_len, int bucket_size, GB_HASH * species_to_info_hash, int start, int end) { AP_tree *node = st_ml_convert_species_name_to_node(st_ml, species_name); if (!node) return; ST_sequence_ml *sml = st_ml->get_ml_vectors(0, node, start, end); if (!sml) return; // no statistic available st_cq_info *info; if (start > 0) { info = (st_cq_info *) GBS_read_hash(species_to_info_hash, species_name); } else { info = new st_cq_info(seq_len, bucket_size); GBS_write_hash(species_to_info_hash, species_name, long (info)); } int pos; const char *source_sequence = 0; int source_sequence_len = 0; if (sml->gb_data) { source_sequence_len = GB_read_string_count(sml->gb_data); source_sequence = GB_read_char_pntr(sml->gb_data); } if (end > source_sequence_len) { end = source_sequence_len; } ST_base_vector *vec = sml->tmp_out + start; for (pos = start; pos < end; vec++, pos++) { double max = 0; double v; int b; for (b = ST_A; b < ST_MAX_BASE; b++) { v = vec->b[b]; if (v > max) max = v; } AWT_dna_base base = awt_dna_table.char_to_enum(source_sequence[pos]); if (base != ST_UNKNOWN && base != ST_GAP) { // dont count gaps double val = max / (0.0001 + vec->b[base]); double log_val = log(val); info->ss2.add(pos * 2 / seq_len, log_val); info->ss5.add(pos * 5 / seq_len, log_val); info->ssu.add(pos * info->ssu.size / seq_len, log_val); } } } void st_ml_add_quality_string_to_species(GBDATA * gb_main, const char *alignment_name, const char *species_name, int seq_len, int bucket_size, GB_HASH * species_to_info_hash, st_report_enum report, const char *dest_field) { GBDATA *gb_species = GBT_find_species(gb_main, species_name); if (!gb_species) return; // invalid species st_cq_info *info = (st_cq_info *) GBS_read_hash(species_to_info_hash, species_name); if (!info) return; GBDATA *gb_dest = GB_search(gb_species, dest_field, GB_STRING); GB_ERROR error = 0; if (!gb_dest) error = GB_await_error(); else { char buffer[256]; char *s2 = info->ss2.generate_string(); char *s5 = info->ss5.generate_string(); char *su = info->ssu.generate_string(); snprintf(buffer, 256, "a%s b%s c%s", s2, s5, su); delete[]s2; delete[]s5; error = GB_write_string(gb_dest, buffer); if (!error && report) { GBDATA *gb_report = GBT_add_data(gb_species, alignment_name, "quality", GB_STRING); if (!gb_report) error = GB_await_error(); else { char *rp = new char[seq_len + 1]; rp[seq_len] = 0; int i; for (i = 0; i < seq_len; i++) { rp[i] = su[i / bucket_size]; } error = GB_write_string(gb_report, rp); if (report == ST_QUALITY_REPORT_TEMP) { GB_set_temporary(gb_report); } delete rp; } } delete[]su; } if (error) { aw_message(error); } delete info; GBS_write_hash(species_to_info_hash, species_name, 0); } GB_ERROR st_ml_check_sequence_quality(GBDATA * gb_main, const char *tree_name, const char *alignment_name, AWT_csp * awt_csp, int bucket_size, int marked_only, st_report_enum report, const char *filter_string, const char *dest_field) { AP_filter filter; int seq_len = GBT_get_alignment_len(gb_main, alignment_name); filter.init(filter_string, "0 ", seq_len); ST_ML st_ml(gb_main); GB_ERROR error = st_ml.init(tree_name, alignment_name, 0, marked_only, filter_string, awt_csp); if (error) { return error; } GB_HASH *species_to_info_hash = GBS_create_hash(GBT_get_species_count(gb_main), GB_IGNORE_CASE); GB_CSTR *snames = GBT_get_species_names_of_tree((GBT_TREE *) st_ml.tree_root->tree); int pos; aw_openstatus("Sequence Quality Check"); for (pos = 0; pos < seq_len; pos += ST_MAX_SEQ_PART) { int end = pos + ST_MAX_SEQ_PART - 1; if (end > seq_len) end = seq_len; if (aw_status(pos / double (seq_len))) { return "aborted"; } const char **pspecies_name; for (pspecies_name = snames; *pspecies_name; pspecies_name++) { st_ml_add_sequence_part_to_stat(&st_ml, awt_csp, *pspecies_name, seq_len, bucket_size, species_to_info_hash, pos, end); } } aw_status("Generating Result String"); const char **pspecies_name; for (pspecies_name = snames; *pspecies_name; pspecies_name++) { st_ml_add_quality_string_to_species(gb_main, alignment_name, *pspecies_name, seq_len, bucket_size, species_to_info_hash, report, dest_field); } aw_closestatus(); free(snames); GBS_free_hash(species_to_info_hash); return NULL; } ./arbsrc_9167/STAT/st_quality.hxx0000644012664100000130000000107511440743001016636 0ustar arb_buildcoders class st_cq_stat { double *likelihoods; double *square_liks; int *n_elems; public: int size; st_cq_stat(int size); ~st_cq_stat(); void add(int pos, double likelihood); char *generate_string(); int is_bad(); // 0 == ok, 1 strange, 2 bad, 3 very bad }; class st_cq_info { public: st_cq_stat ss2; // begin end statistic st_cq_stat ss5; // 5 pieces st_cq_stat ssu; // user defined bucket size st_cq_stat sscon; // conserved / variable positions public: st_cq_info(int seq_len, int bucket_size); ~st_cq_info(); }; ./arbsrc_9167/STAT/ST_window.cxx0000644012664100000130000001631611440743001016354 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include "st_window.hxx" #include "st_ml.hxx" #include "st_quality.hxx" void st_ok_cb(AW_window *aww, ST_ML *st_ml) { AW_root *root = aww->get_root(); char *alignment_name = root->awar_string(AWAR_DEFAULT_ALIGNMENT, "-none-", st_ml->gb_main)->read_string(); char *tree_name = root->awar_string(AWAR_TREE, "tree_stat", st_ml->gb_main)->read_string(); int marked_only = root->awar_int(ST_ML_AWAR_CQ_MARKED_ONLY)->read_int(); GB_ERROR error = GB_push_transaction(st_ml->gb_main); if (!error) error = st_ml->init(tree_name, alignment_name, (char *) 0, marked_only, (char *) 0, st_ml->awt_csp); if (!error && st_ml->refresh_func) st_ml->refresh_func(st_ml->aw_window); error = GB_end_transaction(st_ml->gb_main, error); aww->hide_or_notify(error); free(tree_name); free(alignment_name); } AW_window *st_create_main_window(AW_root * root, ST_ML * st_ml, AW_CB0 refresh_func, AW_window * win) { AW_window_simple *aws = new AW_window_simple; aws->init(root, "ENABLE_ONLINE_STATISTIC", "ACTIVATE ONLINE STATISTIC"); aws->load_xfig("stat_main.fig"); aws->callback(AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE", "C"); aws->callback(AW_POPUP_HELP, (AW_CL) "st_ml.hlp"); aws->at("help"); aws->create_button("HELP", "HELP", "H"); root->awar_string(ST_ML_AWAR_CSP, ""); root->awar_int(ST_ML_AWAR_CQ_MARKED_ONLY, 1); root->awar_string(AWAR_DEFAULT_ALIGNMENT, "-none-", st_ml->gb_main); root->awar_string(AWAR_TREE, "tree_main", st_ml->gb_main); root->awar_string(ST_ML_AWAR_ALIGNMENT)->map(AWAR_DEFAULT_ALIGNMENT); st_ml->awt_csp = new AWT_csp(st_ml->gb_main, root, ST_ML_AWAR_CSP); st_ml->refresh_func = refresh_func; st_ml->aw_window = win; aws->at("GO"); aws->callback((AW_CB1) st_ok_cb, (AW_CL) st_ml); aws->create_button("GO", "GO", "G"); aws->at("awt_csp"); aws->callback(AW_POPUP, (AW_CL) create_csp_window, (AW_CL) st_ml->awt_csp); aws->button_length(20); aws->create_button("SELECT_CSP", ST_ML_AWAR_CSP); aws->at("marked"); aws->create_toggle_field(ST_ML_AWAR_CQ_MARKED_ONLY, "Calculate for ..", ""); aws->insert_toggle("All species", "A", 0); aws->insert_toggle("Marked species", "M", 1); aws->update_toggle_field(); return aws; } ST_ML *new_ST_ML(GBDATA * gb_main) { return new ST_ML(gb_main); } ST_ML_Color *st_ml_get_color_string(ST_ML * st_ml, char *species_name, AP_tree * node, int start_ali_pos, int end_ali_pos) { return st_ml->get_color_string(species_name, node, start_ali_pos, end_ali_pos); } int st_ml_update_ml_likelihood(ST_ML * st_ml, char *result[4], int *latest_update, char *species_name, AP_tree * node) { return st_ml->update_ml_likelihood(result, latest_update, species_name, node); } AP_tree *st_ml_convert_species_name_to_node(ST_ML * st_ml, const char *species_name) { AP_tree *node; if (!st_ml->hash_2_ap_tree) return 0; node = (AP_tree *) GBS_read_hash(st_ml->hash_2_ap_tree, species_name); return node; } int st_is_inited(ST_ML * st_ml) { return st_ml->is_inited; } void st_check_cb(AW_window * aww, GBDATA * gb_main, AWT_csp * awt_csp) { GB_begin_transaction(gb_main); AW_root *r = aww->get_root(); char *alignment_name = r->awar(ST_ML_AWAR_ALIGNMENT)->read_string(); int bucket_size = r->awar(ST_ML_AWAR_CQ_BUCKET_SIZE)->read_int(); char *tree_name = r->awar(AWAR_TREE)->read_string(); char *dest_field = r->awar(ST_ML_AWAR_CQ_DEST_FIELD)->read_string(); int marked_only = r->awar(ST_ML_AWAR_CQ_MARKED_ONLY)->read_int(); char *filter_string = r->awar(ST_ML_AWAR_CQ_FILTER_FILTER)->read_string(); st_report_enum report = (st_report_enum) r->awar(ST_ML_AWAR_CQ_REPORT)->read_int(); GB_ERROR error = st_ml_check_sequence_quality(gb_main, tree_name, alignment_name, awt_csp, bucket_size, marked_only, report, filter_string, dest_field); free(filter_string); free(dest_field); free(alignment_name); free(tree_name); if (error) { aw_message(error); GB_abort_transaction(gb_main); } else { GB_commit_transaction(gb_main); } } AW_window *st_create_quality_check_window(AW_root * root, GBDATA * gb_main) { static AW_window_simple *aws = 0; if (aws) return aws; static AWT_csp *awt_csp; aws = new AW_window_simple; aws->init(root, "SEQUENCE_QUALITY_CHECK", "CHECK QUALITY OF MARKED SEQUENCES"); aws->load_xfig("check_quality.fig"); // aws->load_xfig("stat_main.fig"); aws->callback(AW_POPDOWN); aws->at("close"); aws->create_button("CLOSE", "CLOSE", "C"); aws->callback(AW_POPUP_HELP, (AW_CL) "check_quality.hlp"); aws->at("help"); aws->create_button("HELP", "HELP", "H"); root->awar_string(ST_ML_AWAR_CSP, ""); root->awar_string(AWAR_DEFAULT_ALIGNMENT, "-none-", gb_main); root->awar_int(ST_ML_AWAR_CQ_BUCKET_SIZE, 300); root->awar_int(ST_ML_AWAR_CQ_MARKED_ONLY, 0); root->awar_string(AWAR_TREE, "tree_main", gb_main); root->awar_string(ST_ML_AWAR_CQ_DEST_FIELD, "tmp"); root->awar_int(ST_ML_AWAR_CQ_REPORT, 0); root->awar_string(ST_ML_AWAR_CQ_FILTER_NAME, "ECOLI"); root->awar_string(ST_ML_AWAR_CQ_FILTER_ALIGNMENT); root->awar_string(ST_ML_AWAR_CQ_FILTER_FILTER); root->awar_string(ST_ML_AWAR_ALIGNMENT)->map(AWAR_DEFAULT_ALIGNMENT); root->awar_string(ST_ML_AWAR_CQ_FILTER_ALIGNMENT)-> map(AWAR_DEFAULT_ALIGNMENT); awt_csp = new AWT_csp(gb_main, root, ST_ML_AWAR_CSP); //AW_CL filter_cl = awt_create_select_filter(root, gb_main, ST_ML_AWAR_CQ_FILTER_NAME); aws->at("which"); { aws->create_option_menu(ST_ML_AWAR_CQ_MARKED_ONLY); aws->insert_option("All in tree", "t", 0); aws->insert_option("Only marked and in tree", "m", 1); aws->update_option_menu(); } aws->at("report"); { aws->create_option_menu(ST_ML_AWAR_CQ_REPORT); aws->insert_option("No report", "N", 0); aws->insert_option("R. to temporary sequence", "t", 1); aws->insert_option("R. to sequence", "s", 2); aws->update_option_menu(); } aws->at("awt_csp"); aws->callback(AW_POPUP, (AW_CL) create_csp_window, (AW_CL) awt_csp); aws->create_button("SELECT_CSP", ST_ML_AWAR_CSP); aws->at("sb"); aws->create_input_field(ST_ML_AWAR_CQ_BUCKET_SIZE); awt_create_selection_list_on_scandb(gb_main, aws, ST_ML_AWAR_CQ_DEST_FIELD, 1 << GB_STRING, "dest", 0, &AWT_species_selector, 20, 10); aws->at("GO"); aws->callback((AW_CB) st_check_cb, (AW_CL) gb_main, (AW_CL) awt_csp); aws->create_button("GO", "GO", "G"); return aws; } ./arbsrc_9167/STAT/st_window.hxx0000644012664100000130000000503511440743001016455 0ustar arb_buildcoders// =========================================================== // // // // File : st_window.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef ST_WINDOW_HXX #define ST_WINDOW_HXX #define ST_ML_AWAR "tmp/st_ml/" #define ST_ML_AWAR_CSP ST_ML_AWAR "name" #define ST_ML_AWAR_ALIGNMENT ST_ML_AWAR "alignment" #define ST_ML_AWAR_CQ_BUCKET_SIZE ST_ML_AWAR "bucket_size" #define ST_ML_AWAR_CQ_FILTER_NAME ST_ML_AWAR "filter/name" #define ST_ML_AWAR_CQ_FILTER_ALIGNMENT ST_ML_AWAR "filter/alignment" #define ST_ML_AWAR_CQ_FILTER_FILTER ST_ML_AWAR "filter/filter" #define ST_ML_AWAR_CQ_MARKED_ONLY ST_ML_AWAR "marked_only" #define ST_ML_AWAR_CQ_DEST_FIELD ST_ML_AWAR "dest_field" #define ST_ML_AWAR_CQ_REPORT ST_ML_AWAR "report" class ST_ML; class AP_tree; class AWT_csp; AW_window *st_create_main_window(AW_root * aw_root, ST_ML * st_ml, AW_CB0 refresh_func, AW_window * win); ST_ML *new_ST_ML(GBDATA * gb_main); int st_is_inited(ST_ML * st_ml); typedef unsigned char ST_ML_Color; enum st_report_enum { ST_QUALITY_REPORT_NONE, ST_QUALITY_REPORT_TEMP, ST_QUALITY_REPORT_YES }; AP_tree *st_ml_convert_species_name_to_node(ST_ML * st_ml, const char *species_name); ST_ML_Color *st_ml_get_color_string(ST_ML * st_ml, char *species_name, AP_tree * node, int start_ali_pos, int end_ali_pos); int st_ml_update_ml_likelihood(ST_ML * st_ml, char *result[4], int *latest_update, char *species_name, AP_tree * node); AW_window *st_create_quality_check_window(AW_root * aw_root, GBDATA * gb_main); GB_ERROR st_ml_check_sequence_quality(GBDATA * gb_main, const char *tree_name, const char *alignment_name, AWT_csp * awt_csp, int bucket_size, int marked_only, st_report_enum report, const char *filter_string, const char *dest_field); #else #error st_window.hxx included twice #endif // ST_WINDOW_HXX ./arbsrc_9167/TEMPLATES/arb_debug.h0000644012664100000130000000242211440743000016551 0ustar arb_buildcoders// =============================================================== // // // // File : arb_debug.h // // Purpose : some debugging tools // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef ARB_DEBUG_H #define ARB_DEBUG_H #if defined(DEBUG) // if you get the valgrind warning // "Conditional jump or move depends on uninitialised value" // for a complex statement, use the following macro to find out // which part of the statement is the cause. #define TEST_INITIALIZED(expr) do { \ if (expr) printf("0"); \ else printf("1"); \ } while(0) #else #define TEST_INITIALIZED(expr) { int TEST_INITIALIZED; } // create a warning #endif // DEBUG #else #error arb_debug.h included twice #endif // ARB_DEBUG_H ./arbsrc_9167/TEMPLATES/arbtools.h0000644012664100000130000000247111213220012016457 0ustar arb_buildcoders// ==================================================================== // // // // File : arbtools.h // // Purpose : small general purpose helper classes // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in August 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef ARBTOOLS_H #define ARBTOOLS_H // Base class for classes that may not be copied, neither via copy // constructor or assignment operator. class Noncopyable { Noncopyable(const Noncopyable&); Noncopyable& operator=(const Noncopyable&); public: Noncopyable() {} }; #else #error arbtools.h included twice #endif // ARBTOOLS_H ./arbsrc_9167/TEMPLATES/arb_version.h0000644012664100000130000000310111440743000017143 0ustar arb_buildcoders// =============================================================== // // // // File : arb_version.h // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in March 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef ARB_VERSION_H #define ARB_VERSION_H // exports the following variables: // // ARB_BUILD_DATE contains the date on which arb was build // ARB_BUILD_YEAR contains the year in which arb was build // ARB_BUILD_HOST contains the host on which arb was build // ARB_BUILD_USER contains the user by whom arb was build // // ARB_VERSION arb version // // may define the following variable: // // SHOW_WHERE_BUILD show build location/user (at arb_ntree command line and in mails sent from ARB) // has to be set for non-official builds! #include #include #ifndef ARB_VERSION_MAJOR #error No version defined #endif # define ARB_VERSION ARB_VERSION_MAJOR "." ARB_VERSION_MINOR "-" ARB_VERSION_TAG "-" ARB_SVN_REVISION #else #error arb_version.h included twice #endif // ARB_VERSION_H ./arbsrc_9167/TEMPLATES/attributes.h0000644012664100000130000000772111440743000017034 0ustar arb_buildcoders// ==================================================================== // // // // File : attributes.h // // Purpose : declare attribute macros // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in June 2005 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef ATTRIBUTES_H #define ATTRIBUTES_H // ------------------------------------------------------------ // short description of attributes defined: // // __ATTR__FORMAT(p) used for printf-like functions. 'p' is the position of the format string, args follow directly // __ATTR__VFORMAT(p) used for vprintf-like functions. 'p' is the position of the format string, args are NOT checked // __ATTR__SENTINEL used for function that expect a parameter list terminated by NULL // __ATTR__NORETURN used for functions which do NEVER return // __ATTR__DEPRECATED used for deprecated functions (useful for redesign) // __ATTR__PURE used for functions w/o side-effects, where result only depends on parameters + global data // __ATTR__CONST same as __ATTR__PURE, but w/o global-data-access // __ATTR__USERESULT warn if result of function is unused // // __ATTR__FORMAT_MEMBER(p) same as __ATTR__FORMAT for member functions // __ATTR__VFORMAT_MEMBER(p) same as __ATTR__VFORMAT for member functions // // ------------------------------------------------------------ #ifndef __GNUC__ # error You have to use the gnu compiler! #endif #if (__GNUC__ < 3) # error You have to use gcc 3.xx or above #endif #if (__GNUC__ >= 4) // gcc 4.x and above # define __ATTR__SENTINEL __attribute__((sentinel)) # define HAS_FUNCTION_TYPE_ATTRIBUTES # if (__GNUC_MINOR__ >= 2) # define __ATTR__USERESULT __attribute__((warn_unused_result)) # endif #endif #if (__GNUC__ == 3) // gcc 3.x # if (__GNUC_MINOR__ >= 4) # define HAS_FUNCTION_TYPE_ATTRIBUTES # endif #endif // ------------------------------------------------------------ // helper macro to declare attributes for function-pointers #ifdef HAS_FUNCTION_TYPE_ATTRIBUTES #define FUNCTION_TYPE_ATTR(x) x #else #define FUNCTION_TYPE_ATTR(x) #endif // ------------------------------------------------------------ // helper macro to declare attributed function prototype and // start function definition in one line #define ATTRIBUTED(attribute, proto) proto attribute; proto // ------------------------------------------------------------ // now define undefined attributes empty : #ifndef __ATTR__SENTINEL # define __ATTR__SENTINEL #endif #ifndef __ATTR__USERESULT # define __ATTR__USERESULT #endif // ------------------------------------------------------------ // valid for any gcc above 3.xx #define __ATTR__PURE __attribute__((pure)) #define __ATTR__DEPRECATED __attribute__((deprecated)) #define __ATTR__CONST __attribute__((const)) #define __ATTR__NORETURN __attribute__((noreturn)) #define __ATTR__FORMAT(pos) __attribute__((format(__printf__, pos, (pos)+1))) #define __ATTR__VFORMAT(pos) __attribute__((format(__printf__, pos, 0))) #define __ATTR__FORMAT_MEMBER(pos) __attribute__((format(__printf__, (pos)+1, (pos)+2))) #define __ATTR__VFORMAT_MEMBER(pos) __attribute__((format(__printf__, (pos)+1, 0))) // when used for member functions, start with pos+1 (pos = 1 seems to be the this-pointer!?) // ------------------------------------------------------------ // // #else #error attributes.h included twice #endif // ATTRIBUTES_H ./arbsrc_9167/TEMPLATES/config_parser.h0000644012664100000130000002445111440743000017466 0ustar arb_buildcoders// ==================================================================== // // // // File : config_parser.h // // Purpose : reads config files // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in October 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef CONFIG_PARSER_H #define CONFIG_PARSER_H // format of config files: // // # comment // key = value // # comment // key = value // // # comment // key = value // #ifndef _CPP_MAP #include #endif #ifndef _CPP_CSTDIO #include #endif #ifndef _CPP_STRING #include #endif #define MAXCONFIGLINESIZE 200 namespace { class ConfigParser { typedef std::map ConfigMap; ConfigMap entries; std::string filename; GB_ERROR error; ConfigParser(const ConfigParser& other); // copying not allowed ConfigParser& operator = (const ConfigParser& other); // assignment not allowed static char *unwhite(char *s) { while (s[0] == ' ') ++s; char *e = strchr(s, 0)-1; while (e>s && isspace(e[0])) --e; if (esecond); } }; // -------------------------------------------------------------------------------- class ConfigBase { ConfigBase(const ConfigBase& other); // copying not allowed ConfigBase& operator = (const ConfigBase& other); // assignment not allowed protected: ConfigParser parser; GB_ERROR error; GB_ERROR parse_double(const char *s, double& d) { if (s[0] == 0) return "floating point number expected"; char *end = 0; d = strtod(s, &end); if (end[0] != 0) { return GBS_global_string("Unexpected '%s' behind floating point number", end); } return 0; } GB_ERROR check_int_range(int value, int min_value, int max_value) { if (valuemax_value) { return GBS_global_string("%i outside allowed range [%i .. %i]", value, min_value, max_value); } return 0; } GB_ERROR check_double_range(double value, double min_value, double max_value) { if (valuemax_value) { return GBS_global_string("%f outside allowed range [%f .. %f]", value, min_value, max_value); } return 0; } GB_ERROR check_bool_range(int value) { if (value<0 || value>1) { return GBS_global_string("%i is not boolean (has to be 0 or 1).", value); } return 0; } void parseInt(const std::string& key, int& value) { const std::string *val = parser.getValue(key, error); if (val) value = atoi(val->c_str()); } void parseInt_checked(const std::string& key, int& value, int min_value, int max_value) { parseInt(key, value); if (!error) { error = check_int_range(value, min_value, max_value); if (error) error = parser.makeError(key, error); } } void parseIntRange(const std::string& key, int& low, int& high) { const std::string *val = parser.getValue(key, error); if (val) { char *range = strdup(val->c_str()); char *lhs, *rhs; error = ConfigParser::splitText(range, ',', lhs, rhs); if (!error) { low = atoi(lhs); high = atoi(rhs); if (low>high) { error = GBS_global_string("Invalid range (%i has to be smaller than %i)", low, high); } } free(range); if (error) error = parser.makeError(key, error); } } void parseIntRange_checked(const std::string& key, int& low, int& high, int min_value, int max_value) { parseIntRange(key, low, high); if (!error) { error = check_int_range(low, min_value, max_value); if (!error) error = check_int_range(high, min_value, max_value); if (error) error = parser.makeError(key, error); } } void parseBool(const std::string& key, bool& boolean) { int b = 0; parseInt(key, b); if (!error) { error = check_bool_range(b); if (error) error = parser.makeError(key, error); else boolean = static_cast(b); } } void parseDouble(const std::string& key, double& value) { const std::string *val = parser.getValue(key, error); if (val) { error = parse_double(val->c_str(), value); } } void parseDouble_checked(const std::string& key, double& value, double min_value, double max_value) { parseDouble(key, value); if (!error) { error = check_double_range(value, min_value, max_value); if (error) error = parser.makeError(key, error); } } void parseDoubleRange(const std::string& key, double& low, double& high) { const std::string *val = parser.getValue(key, error); if (val) { char *range = strdup(val->c_str()); char *lhs, *rhs; error = ConfigParser::splitText(range, ',', lhs, rhs); if (!error) error = parse_double(lhs, low); if (!error) error = parse_double(rhs, high); if (!error && low>high) { error = GBS_global_string("Invalid range (%f has to be smaller than %f)", low, high); } free(range); if (error) error = parser.makeError(key, error); } } void parseDoubleRange_checked(const std::string& key, double& low, double& high, double min_value, double max_value) { parseDoubleRange(key, low, high); if (!error) { error = check_double_range(low, min_value, max_value); if (!error) error = check_double_range(high, min_value, max_value); if (error) error = parser.makeError(key, error); } } public: ConfigBase(const std::string &filename) : parser(filename) , error(0) {} virtual ~ConfigBase() {} GB_ERROR getError() const { return error; } }; } #undef MAXCONFIGLINESIZE #else #error config_parser.h included twice #endif // CONFIG_PARSER_H ./arbsrc_9167/TEMPLATES/inline.h0000644012664100000130000000426111440743000016120 0ustar arb_buildcoders// ==================================================================== // // // // File : inline.h // // Purpose : general purpose inlined funcions // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in June 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef INLINE_H #define INLINE_H #include #ifndef __cplusplus // this header only works with c++ // those functions needed by ARBDB are duplicated in adstring.c (with GBS_-prefix) #error inline.h may be used in C++ only #endif /** Like strcmp but ignoring case */ inline int ARB_stricmp(const char *s1, const char *s2) { int cmp = 0; size_t idx = 0; while (!cmp) { if (!s1[idx]) return s2[idx] ? -1 : 0; if (!s2[idx]) return 1; cmp = tolower(s1[idx]) - tolower(s2[idx]); ++idx; } return cmp; } /** compares the beginning of two strings (Note: always returns 0 if one the the strings is empty) */ inline int ARB_strscmp(const char *s1, const char *s2) { int cmp = 0; size_t idx = 0; while (!cmp) { if (!s1[idx] || !s2[idx]) break; cmp = s1[idx] - s2[idx]; ++idx; } return cmp; } inline void ARB_strupper(char *s) { for (int i = 0; s[i]; ++i) s[i] = toupper(s[i]); } // strupr inline void ARB_strlower(char *s) { for (int i = 0; s[i]; ++i) s[i] = tolower(s[i]); } // strlwr inline unsigned char safeCharIndex(char c) { return static_cast(c); } #else #error inline.h included twice #endif // INLINE_H ./arbsrc_9167/TEMPLATES/Makefile0000644012664100000130000000005211213220012016112 0ustar arb_buildcoders $(MAIN): ../SOURCE_TOOLS/build_info.pl ./arbsrc_9167/TEMPLATES/output.h0000644012664100000130000000723011440743000016201 0ustar arb_buildcoders// ==================================================================== // // // // File : output.h // // Purpose : class for indented output to FILE // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in September 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef OUTPUT_H #define OUTPUT_H #ifndef _STDARG_H #include #endif #ifndef ATTRIBUTES_H #include #endif // --------------------- // class output // --------------------- class output { private: int indentation; bool printing_points; int max_points; int points_printed; int points_per_line; FILE *out; inline void cr() const { fputc('\n', stdout); } inline void print_indent() { for (int i = 0; i #endif #ifndef _CPP_CSTDIO #include #endif #ifndef _CPP_CTIME #include #endif class PerfTimer { clock_t started_at; unsigned long loop_counter; std::string message; public: PerfTimer(const std::string& message_) : started_at(clock()) , loop_counter(0) , message(message_) {} ~PerfTimer() { clock_t stopped_at = clock(); clock_t ticks = stopped_at-started_at; double seconds = double(ticks)/CLOCKS_PER_SEC; printf("Time for '%s': ticks=%lu (= %5.2f seconds)", message.c_str(), ticks, seconds); if (loop_counter > 0) { // loop timer if (loop_counter == 1) { printf(" 1 loop"); } else { double lticks = double(ticks)/loop_counter; double lseconds = lticks/CLOCKS_PER_SEC; printf(" %lu loops. Each took: ticks=%lu", loop_counter, (clock_t)(lticks+0.5)); if (lseconds >= 0.01) { printf(" (= %5.2f seconds)", lseconds); } else { printf(" (= %5.2f milliseconds)", lseconds/1000); } double loopsPerSecond = loop_counter/seconds; printf(" = %5.2f loops/second", loopsPerSecond); } } printf("\n"); } void announceLoop() { loop_counter++; } }; #else #error perf_timer.h included twice #endif // PERF_TIMER_H ./arbsrc_9167/TEMPLATES/SIG_PF.h0000644012664100000130000000102111440743000015640 0ustar arb_buildcoders/* File : SIG_PF.h * Purpose : wrapper to include or define stuff needed for SIG_PF */ #if defined(SUN5_ECGS) # include #else # if defined(LINUX) # include # ifndef SIG_PF # define SIG_PF __sighandler_t # endif # else # if defined(SUN4) || defined(SUN5) # if defined(__cplusplus) # include /* c++ only for sun (used for shutdown) */ # else # define SIG_PF void (*)() # endif # else # define SIG_PF void (*)(int) # endif # endif #endif ./arbsrc_9167/TEMPLATES/smartptr.h0000644012664100000130000002243511440743000016521 0ustar arb_buildcoders///////////////////////////////////////////////////////////////////////////// // // Copyright (C) 2000-2003 // Ralf Westram // (Coded@ReallySoft.de) // // Permission to use, copy, modify, distribute and sell this software // and its documentation for any purpose is hereby granted without fee, // provided that the above copyright notice appear in all copies and // that both that copyright notice and this permission notice appear // in supporting documentation. Ralf Westram makes no // representations about the suitability of this software for any // purpose. It is provided "as is" without express or implied warranty. // // This code is part of my library. // You may find a more recent version at http://www.reallysoft.de/ // ///////////////////////////////////////////////////////////////////////////// #ifndef SMARTPTR_H #define SMARTPTR_H #ifndef ARB_ASSERT_H #include #endif #define tpl_assert(bed) arb_assert(bed) // -------------------------------------------------------------------------------- // SmartPointers // -------------------------------------------------------------------------------- // // provides: // // SmartPtr uses delete // SmartPtr > > uses delete [] // SmartPtr > > uses free // SmartPtr > > uses custom deallocator // // -------------------------------------------------------------------------------- // macros for convinience: #define SmartArrayPtr(type) SmartPtr > > #define SmartMallocPtr(type) SmartPtr > > #define SmartCustomPtr(type, deallocator) SmartPtr > > // -------------------------------------------------------------------------------- // examples: // // typedef SmartPtr StringPtr; // StringPtr s = new std::string("hello world"); // will be deallocated using delete // // typedef SmartArrayPtr(std::string) StringArrayPtr; // StringArrayPtr strings = new std::string[100]; // will be deallocated using delete [] // // typedef SmartMallocPtr(char) CharPtr; // CharPtr cp = strdup("hello world"); // will be deallocated using free() // // typedef SmartCustomPtr(GEN_position, GEN_free_position) GEN_position_Ptr; // GEN_position_Ptr gp = GEN_new_position(5, GB_FALSE); // will be deallocated using GEN_free_position() // // -------------------------------------------------------------------------------- #ifdef NDEBUG #ifdef DUMP_SMART_PTRS #error Please do not define DUMP_SMART_PTRS in NDEBUG mode! #endif #endif #ifdef DUMP_SMART_PTRS #define DUMP_SMART_PTRS_DO(cmd) do { (cmd); } while(0) #else #define DUMP_SMART_PTRS_DO(cmd) #endif // ----------------------------------------------------------------- // helper pointer classes // // used by Counted<> to use correct method to destroy the contents // ----------------------------------------------------------------- template class custom_dealloc_ptr { T *const thePointer; public: custom_dealloc_ptr(T *p) : thePointer(p) { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p now controlled by custom_dealloc_ptr\n", thePointer)); } ~custom_dealloc_ptr() { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p gets destroyed by custom_dealloc_ptr (using fun %p)\n", thePointer, DEALLOC)); DEALLOC(thePointer); } const T* getPointer() const { return thePointer; } T* getPointer() { return thePointer; } }; template class auto_free_ptr { T *const thePointer; public: auto_free_ptr(T *p) : thePointer(p) { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p now controlled by auto_free_ptr\n", thePointer)); } ~auto_free_ptr() { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p gets destroyed by auto_free_ptr\n", thePointer)); free(thePointer); } const T* getPointer() const { return thePointer; } T* getPointer() { return thePointer; } }; template class auto_delete_ptr { T *const thePointer; public: auto_delete_ptr(T *p) : thePointer(p) { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p now controlled by auto_delete_ptr\n", thePointer)); } ~auto_delete_ptr() { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p gets destroyed by auto_delete_ptr\n", thePointer)); delete thePointer; } const T* getPointer() const { return thePointer; } T* getPointer() { return thePointer; } }; template class auto_delete_array_ptr { T *const thePointer; public: auto_delete_array_ptr(T *p) : thePointer(p) { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p now controlled by auto_delete_array_ptr\n", thePointer)); } ~auto_delete_array_ptr() { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p gets destroyed by auto_delete_array_ptr\n", thePointer)); delete [] thePointer; } const T* getPointer() const { return thePointer; } T* getPointer() { return thePointer; } }; // ----------------------- // class Counted // ----------------------- template class SmartPtr; template class Counted { unsigned counter; AP pointer; public: Counted(T *p) : counter(0), pointer(p) { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p now controlled by Counted\n", getPointer())); tpl_assert(p); } #ifdef DEBUG ~Counted() { tpl_assert(counter==0); DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p gets destroyed by Counted\n", getPointer())); } #endif unsigned new_reference() { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p gets new reference (now there are %i references)\n", getPointer(), counter+1)); return ++counter; } unsigned free_reference() { DUMP_SMART_PTRS_DO(fprintf(stderr, "pointer %p looses a reference (now there are %i references)\n", getPointer(), counter-1)); tpl_assert(counter!=0); return --counter; } const T* getPointer() const { return pointer.getPointer(); } T* getPointer() { return pointer.getPointer(); } friend class SmartPtr >; }; // -------------------------------------------------------------------------------- // class SmartPtr // -------------------------------------------------------------------------------- /** @memo Smart pointer class */ template > > class SmartPtr { private: C *object; void Unbind() { if (object && object->free_reference()==0) { DUMP_SMART_PTRS_DO(fprintf(stderr, "Unbind() deletes Counted object %p (which hold pointer %p)\n", object, object->getPointer())); delete object; } object = 0; } public: /** build Smart-NULL-Ptr */ SmartPtr() : object(0) {} /** build normal SmartPtr by passing an object to a SmartPtr you loose the responsibility over the object to the SmartPtr. So you NEVER should free such an object manually. @param p Pointer to any dynamically allocated object */ SmartPtr(T *p) { object = new C(p); object->new_reference(); } /** destroy SmartPtr object will not be destroyed as long as any other SmartPtr points to it */ ~SmartPtr() { Unbind(); } SmartPtr(const SmartPtr& other) { object = other.object; if (object) object->new_reference(); } SmartPtr& operator=(const SmartPtr& other) { if (other.object) other.object->new_reference(); Unbind(); object = other.object; return *this; } const T *operator->() const { tpl_assert(object); return object->getPointer(); } T *operator->() { tpl_assert(object); return object->getPointer(); } const T& operator*() const { tpl_assert(object); return *(object->getPointer()); } T& operator*() { tpl_assert(object); return *(object->getPointer()); } /** test if SmartPtr is 0 */ bool Null() const { return object==0; } /** set SmartPtr to 0 */ void SetNull() { Unbind(); } /** create a deep copy of the object pointed to by the smart pointer. Afterwards there exist two equal copies of the object. @return SmartPtr to the new copy. */ SmartPtr deep_copy() const { return SmartPtr(new T(**this)); } /** test if two SmartPtrs point to the same object (this is used for operators == and !=). if you like to compare the objects themselves use (*smart_ptr1 == *smart_ptr2) @return true if the SmartPtrs point to the same object */ bool sameObject(const SmartPtr& other) const { tpl_assert(object); tpl_assert(other.object); return object==other.object; } }; template bool operator==(const SmartPtr& s1, const SmartPtr& s2) { return s1.sameObject(s2); } template bool operator!=(const SmartPtr& s1, const SmartPtr& s2) { return !s1.sameObject(s2); } #else #error smartptr.h included twice #endif // SMARTPTR_H ./arbsrc_9167/TEMPLATES/static_assert.h0000644012664100000130000000234311440721063017516 0ustar arb_buildcoders// ============================================================= // // // // File : static_assert.h // // Purpose : compile time assertion // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #ifndef STATIC_ASSERT_H #define STATIC_ASSERT_H namespace arb_compile_assertion { template struct is; template <> struct is { enum { value = 1 }; }; template struct static_assert_test{}; } #define CA_JOINTYPE(X,Y) X##Y #define CA_UNIQUETYPE(typename) CA_JOINTYPE(typename,__LINE__) #define COMPILE_ASSERT(const_expression) \ typedef ::arb_compile_assertion::static_assert_test)> \ CA_UNIQUETYPE(_arb_compile_assertion_typedef_) #else #error static_assert.h included twice #endif // STATIC_ASSERT_H ./arbsrc_9167/TEMPLATES/svn_revision.h0000644012664100000130000000004012051173046017363 0ustar arb_buildcoders#define ARB_SVN_REVISION "9167" ./arbsrc_9167/TOOLS/arb_2_ascii.cxx0000644012664100000130000000346711440743001016724 0ustar arb_buildcoders#include #include #include #include static void to_stderr(const char *msg) { fprintf(stderr, "arb_2_ascii: %s\n", msg); } int main(int argc, char **argv) { GB_ERROR error = 0; fprintf(stderr, "arb_2_ascii - ARB database binary to ascii converter\n"); if (argc<2 || strcmp(argv[1], "--help") == 0) { fprintf(stderr, "\n" "Usage: arb_2_ascii [|-]\n" "Purpose: Converts a database to ascii format\n" "\n" "if is set, try to fix problems of and write to \n" "if the second parameter is '-' print to console.\n" "else replace by ascii version (backup first)\n" "\n" ); if (strcmp(argv[1], "--help") != 0) { error = "Missing arguments"; } } else { char *in = argv[1]; char *out = NULL; const char *readflags = "rw"; const char *saveflags = "a"; if (argc == 2) { out = in; } else { readflags = "rwR"; /* try to recover corrupt data */ out = argv[2]; if (!out || strcmp(out, "-") == 0) { saveflags = "aS"; GB_install_information(to_stderr); GB_install_warning(to_stderr); } } GBDATA *gb_main = GB_open(in,readflags); if (!gb_main) { error = GB_await_error(); } else { error = GB_save(gb_main,out, saveflags); } GB_close(gb_main); } if (error) { fprintf(stderr, "arb_2_ascii: Error: %s\n", error); return EXIT_FAILURE; } return EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/arb_2_bin.cxx0000644012664100000130000000574211440743001016402 0ustar arb_buildcoders#include #include #include #include #include int main(int argc, char **argv) { GB_ERROR error = 0; fprintf(stderr, "arb_2_bin - ARB database ascii to binary converter\n"); if (argc <= 1 || strcmp(argv[1], "--help") == 0) { fprintf(stderr, "\n" "Purpose: Converts a database to binary format\n" "Syntax: arb_2_bin [-m] [-r] [-c][tree_xxx] database [newdatabase]\n" "Options: -m create map file too\n" " -r try to repair destroyed database\n" " -c[tree_xxx] optimize database using tree_xxx or largest tree\n" "\n" "database my be '-' in which case arb_2_bin reads from stdin.\n" "\n" ); if (strcmp(argv[1], "--help") != 0) { error = "Missing arguments"; } return(-1); } else { char rtype[256]; char wtype[256]; int ci = 1; int nidx = 0; int test = 0; char *opt_tree = 0; { char *rtypep = rtype; char *wtypep = wtype; memset(rtype,0,10); memset(wtype,0,10); *(wtypep++) = 'b'; *(rtypep++) = 'r'; *(rtypep++) = 'w'; while (argv[ci][0] == '-' && argv[ci][1] != 0){ if (!strcmp(argv[ci],"-m")) { ci++; *(wtypep++) = 'm'; } if (!strcmp(argv[ci],"-r")) { ci++; *(rtypep++) = 'R'; } if (!strncmp(argv[ci],"-c",2)) { opt_tree = argv[ci]+2; ci++; } if (!strncmp(argv[ci],"-i",2)) { nidx = atoi(argv[ci]+2); ci++; } if (!strncmp(argv[ci],"-t",2)) { test = 1; ci++; } } } char *in = argv[ci++]; char *out = ci >= argc ? in : argv[ci++]; printf("Reading database...\n"); GBDATA *gb_main = GBT_open(in, rtype, 0); if (!gb_main){ error = GB_await_error(); } else { if (opt_tree){ char *ali_name; { GB_transaction dummy(gb_main); ali_name = GBT_get_default_alignment(gb_main); } if (!strlen(opt_tree)) opt_tree = 0; printf("Optimizing database...\n"); error = GBT_compress_sequence_tree2(gb_main,opt_tree,ali_name); if (error) error = GBS_global_string("Error during optimize: %s", error); free(ali_name); } if (!error) { GB_set_next_main_idx(nidx); printf("Saving database...\n"); error = GB_save(gb_main,out,wtype); } GB_close(gb_main); } } if (error){ fprintf(stderr, "arb_2_bin: Error: %s\n", error); return EXIT_FAILURE; } return EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/arb_a2ps.c0000644012664100000130000017554211440743001015704 0ustar arb_buildcoders/************************************************************************/ /* */ /* Description: Ascii to PostScript printer program. */ /* File: bounty:/archive/src/a2ps/Last/a2ps.c */ /* Created: Fri Nov 5 8:20 1993 by miguel@bountyimag.fr (Miguel Santana)*/ /* Version: 4.3 */ /* */ /* Edit history: */ /* 1) Derived of shell program written by evan@csli (Evan Kirshenbaum). */ /* Written in C for improve speed execution and portability. Many */ /* improvements have been added. */ /* Fixes by Oscar Nierstrasz @ cui.uucp: */ /* 2) Fixed incorrect handling of stdin (removed error if no file names)*/ /* 3) Added start_page variable to eliminate blank pages printed for */ /* files that are exactly multiples of 132 lines (e.g., man pages) */ /* Modified by santana@imag.fr: */ /* 4) Added new options at installation : sheet format (height/width in */ /* inches), page format (number of columns per line and of lines per */ /* page). */ /* Modified by santana@imag.fr: */ /* 5) Added new option to print n copies of a same document. */ /* 6) Cut long filenames if don't fit in the page header. */ /* Modified by Tim Clark (T.Clark@warwick.ac.uk): */ /* 7) Two additional modes of printing (portrait and wide format modes) */ /* 8) Fixed to cope with filenames which contain a character which must */ /* be escaped in a PostScript string. */ /* Modified by santana@imag.fr to */ /* 9) Added new option to suppress heading printing. */ /* 10) Added new option to suppress page surrounding border printing. */ /* 11) Added new option to change font size. Lines and columns are */ /* automatically adjusted, depending on font size and printing mode */ /* 12) Minor changes (best layout, usage message, etc). */ /* Modified by tullemans@apolloway.prl.philips.nl */ /* 13) Backspaces (^H) are now handled correctly. */ /* Modified by Johan Vromans (jv@mh.nl) to */ /* 14) Added new option to give a header title that replaces use of */ /* filename. */ /* Modified by craig.r.stevenson@att.com to */ /* 15) Print last modification date/time in header */ /* 16) Printing current date/time on left side of footer (optional) */ /* Modified by erikt@cs.umu.se: */ /* 17) Added lpr support for the BSD version */ /* 18) Added som output of pages printed. */ /* Modified by wstahw@lso.win.tue.nl: */ /* 19) Added option to allowing the printing of 2 files in one sheet */ /* Modified by mai@wolfen.cc.uow.oz */ /* 20) Added an option to set the lines per page to a specified value. */ /* 21) Added support for printing nroff manuals */ /* Modified by santana@imag.fr */ /* 22) Integration of changes. */ /* 23) No more standard header file (printed directly by a2ps). */ /* 24) New format for command options. */ /* 25) Other minor changes. */ /* Modified by Johan Garpendahl (garp@isy.liu.se) and santana@imag.fr: */ /* 26) Added 8-bit characters printing as ISO-latin 1 chars */ /* Modified by John Interrante (interran@uluru.stanford.edu) and */ /* santana@imag.fr: */ /* 27) Two pages per physical page in portrait mode */ /* Modified by santana@imag.fr: */ /* 28) New option for two-sided printing */ /* 29) Several fixes */ /* Modified by Chris Adamo (adamo@ll.mit.edu) and */ /* Larry Barbieri (lbarbieri@ll.mit.edu) 3/12/93 */ /* 30) Output format enhancements. */ /* 31) Added login_id flag (for SYSV and BSD only) for printing user's */ /* login ID at top of page. Added command line parameter (-nL) to */ /* suppress this feature. */ /* 33) Added filename_footer flag for printing file name at bottom */ /* of page. Added command line parameter (-nu) to suppress this */ /* feature. */ /* 34) Added -B (-nB) options to enable (disable) bold font */ /* Modified by santana@imag.fr: */ /* 35) Adapted to respect Adobe conventions for page independence. A2ps */ /* output can be now used by other Postscript processors. */ /* 36) Names of most postscript variables have been coded in order to */ /* reduce the size of the output. */ /* 37) Ansi C compilers are now automatically taken into account. */ /* 38) Enhanced routine for cutting long filenames */ /* 39) Added -q option to print files in quiet mode (no summary) */ /* 40) Fixed some little bugs (counters, modification time for stdin, */ /* character separator when printing line numbers and cutting a */ /* line). */ /* 41) Some minor changes (new preprocessing variables, formatting) */ /* */ /************************************************************************/ /* * Copyright (c) 1993, 1994, Miguel Santana, M.Santana@frgu.bull.fr * * Permission is granted to use, copy, and distribute this software for * non commercial use, provided that the above copyright notice appear in * all copies and that both that copyright notice and this permission * notice appear in supporting documentation. * * Permission to modify the software is granted, but not the right to * distribute the modified code. Please report bugs and changes to * M.Santana@frgu.bull.fr * * This software is provided "as is" without express or implied warranty. */ /************************************************************************/ /* */ /* I n c l u d e f i l e s */ /* */ /************************************************************************/ #include #include #include #include #include #include #ifdef __STDC__ #include #include #include #else #include #ifdef SYSV #include #include #include #else #ifndef BSD #define BSD 1 #endif #include #endif #endif /************************************************************************/ /* */ /* P r e p r o c e s s i n g d e f i n i t i o n s */ /* */ /************************************************************************/ /* * Common definitions */ #define FALSE 0 #define TRUE 1 #ifndef NULL #define NULL 0 #endif #ifndef NUL #define NUL '\0' #endif #ifndef EXIT_SUCCESS #define EXIT_SUCCESS 0 #endif #ifndef EXIT_FAILURE #define EXIT_FAILURE 1 #endif /* * Version */ #define VERSION "4.3" #define LPR_PRINT 1 /* * Default page dimensions */ #ifndef WIDTH #define WIDTH 8.27 #endif #ifndef HEIGHT #define HEIGHT 11.0 #endif #ifndef MARGIN #define MARGIN .5 #endif /* * Pathname separator for file system */ #ifndef DIR_SEP #define DIR_SEP '/' #endif /* * Printing parameters */ #if LPR_PRINT #ifndef LPR_COMMAND #define LPR_COMMAND "lpr" #endif #ifndef LPR_OPT #define LPR_OPT "-l" #endif #if defined(ONESIDED) && defined(TWOSIDED) #define RECTO_VERSO_PRINTING #ifndef TWOSIDED_DFLT #define TWOSIDED_DFLT TRUE #endif #endif #endif /* * Configuration values */ #define PORTRAIT_HEADER 0.29 #define LANDSCAPE_HEADER 0.22 #define PIXELS_INCH 72 #define MAXFILENAME 32 #define MAX_LINES 320 /* max. lines per page */ #define MAN_LINES 66 /* no lines for a man */ #define IS_ROMAN 0 /* normal font */ #define IS_BOLD 1 /* bold sequence flag */ #if defined(SYSV) || defined(BSD) #define MAX_HOSTNAME 40 #endif /************************************************************************/ /* */ /* G l o b a l d e f i n i t i o n s */ /* */ /************************************************************************/ /* * Global types */ typedef enum { BOLD, NORMAL } WEIGHT; /* font weights */ /* * Function declarations. */ #ifdef __STDC__ /* Function prototypes */ void usage(int failure); void set_global_option(char *arg); void set_positional_option(char *arg); int mygetc(int *statusp); int is_binaryfile(char *name); void cut_filename(char *old_name, char *new_name); int printchar(unsigned char c); void skip_page(void); int fold_line(char *name); int cut_line(void); void printpage(void); void startpage(void); void cleanup(void); void endpage(void); void print_page_prologue(int side); void init_file_printing(char *name, char *title); void print_file(char *name, char *header); void print_prologue(void); void print_standard_prologue(char *datestring); int main(int argc, char *argv[]); #if defined(SYSV) || defined(BSD) char *getlogin(void); #endif #if defined(BSD) int gethostname(char *name, int namelen); #endif #else /* Only forward declarations */ int is_binaryfile(); void print_standard_prologue(); void startpage(); void endpage(); void print_page_prologue(); #if defined(SYSV) || defined(BSD) char *getlogin(); #endif #if defined(BSD) int gethostname(); #endif #endif /* * Flags related to options. */ int numbering = FALSE; /* Line numbering option */ int folding = TRUE; /* Line folding option */ int restart = FALSE; /* Don't restart page number after each file */ int only_printable = FALSE; /* Replace non printable char by space */ int interpret = TRUE; /* Interpret TAB, FF and BS chars option */ int print_binaries = FALSE; /* Force printing for binary files */ int landscape = TRUE; /* Otherwise portrait format sheets */ int new_landscape = TRUE; /* To scrute changes of landscape option */ int twinpages = TRUE; /* 2 pages per sheet if true, 1 otherwise */ int new_twinpages = TRUE; /* To scrute changes of twinpages option */ int twinfiles = FALSE; /* Allow 2 files per sheet */ int no_header = FALSE; /* TRUE if user doesn't want the header */ int no_border = FALSE; /* Don't print the surrounding border ? */ int printdate = FALSE; /* Print current date as footnote */ int filename_footer = TRUE; /* Print file name at bottom of page */ int no_summary = FALSE; /* Quiet mode? */ WEIGHT fontweight = NORMAL; /* Control font weight: BOLD or NORMAL */ WEIGHT new_fontweight = NORMAL; /* To scrute changes of bold option */ #if defined(SYSV) || defined(BSD) int login_id = TRUE; /* Print login ID at top of page */ #endif #if LPR_PRINT int lpr_print = TRUE; /* Fork a lpr process to do the printing */ #ifdef RECTO_VERSO_PRINTING int rectoverso = TWOSIDED_DFLT; /* Two-side printing */ #endif #endif int ISOlatin1 = FALSE; /* Print 8-bit characters? */ /* * Counters of different kinds. */ int column = 0; /* Column number (in current line) */ int line = 0; /* Line number (in current page) */ int line_number = 0; /* Source line number */ int pages = 0; /* Number of logical pages printed */ int sheets = 0; /* Number of physical pages printed */ int old_pages, old_sheets; /* Value before printing current file */ int sheetside = 0; /* Side of the sheet currently printing */ int linesperpage; /* Lines per page */ int lines_requested = 0; /* Lines per page requested by the user */ int new_linesrequest = 0; /* To scrute new values for lines_requested */ int columnsperline; /* Characters per output line */ int nonprinting_chars, chars; /* Number of nonprinting and total chars */ int copies_number = 1; /* Number of copies to print */ int column_width = 8; /* Default column tab width (8) */ /* * Other global variables. */ int first_page; /* First page for a file */ int no_files = TRUE; /* No file until now */ int prefix_width; /* Width in characters for line prefix */ float fontsize = 0.0; /* Size of a char for body font */ float new_fontsize = 0.0; /* To scrute new values for fontsize */ char *command; /* Name of a2ps program */ char *lpr_opt = NULL; /* Options to lpr */ char *header_text = NULL; /* Allow for different header text */ float header_size; /* Size of the page header */ char *prologue = NULL; /* postscript header file */ char current_filename[MAXFILENAME+1]; /* Name of the file being printed */ char currentdate[18]; /* Date for today */ char filedate[18]; /* Last modification time for current file */ #if defined(SYSV) || defined(BSD) char *login = NULL; /* user's login name and host machine */ #endif /* * Sheet dimensions */ double page_height = HEIGHT; /* Paper height */ double page_width = WIDTH; /* Paper width */ /************************************************************************/ /* */ /* */ /************************************************************************/ /* * Print a usage message. */ void usage(failure) int failure; /* Must we exit with a failure code? */ { fprintf(stderr,"A2ps v%s usage: %s [pos. or global options] [ f1 [ [pos. options] f2 ...] ]\n", VERSION, command); fprintf(stderr,"pos. = -#num\t\tnumber of copies to print\n"); fprintf(stderr," -1\t\tone page per sheet\n"); fprintf(stderr," -2\t\tTWIN PAGES per sheet\n"); fprintf(stderr," -d\t-nd\tprint (DON'T PRINT) current date at the bottom\n"); fprintf(stderr," -Fnum\t\tfont size, num is a float number\n"); fprintf(stderr," -Hstr\t\tuse str like header title for subsequent files\n"); #if defined(SYSV) || defined(BSD) fprintf(stderr," \t-nL\tdon't print login ID on top of page\n"); #endif fprintf(stderr," -l\t\tprint in LANDSCAPE mode\n"); fprintf(stderr," -lnum\t\tuse num lines per page\n"); fprintf(stderr," -m\t\tprocess the file as a man\n"); fprintf(stderr," -n\t-nn\tNUMBER (don't number) line files\n"); fprintf(stderr," -p\t\tprint in portrait mode\n"); fprintf(stderr," -q\t\tprint in quiet mode (no summary)\n"); fprintf(stderr," -s\t-ns\tPRINT (don't print) surrounding borders\n"); fprintf(stderr, "\n"); fprintf(stderr,"global = -?\t\tprint this information\n"); fprintf(stderr," -B\t-nB\tprint (DON'T PRINT) in bold font\n"); fprintf(stderr," -b\t-nb\tforce (DON'T FORCE) binary printing\n"); fprintf(stderr," -c\t-nc\tallow (DON'T ALLOW) two files on the same sheet\n"); fprintf(stderr," -f\t-nf\tFOLD (don't fold) lines\n"); fprintf(stderr," \t-nH\tdon't print any header\n"); fprintf(stderr," -h\t\tprint this information\n"); fprintf(stderr," -Ifile\tinclude this file as a2ps prologue\n"); fprintf(stderr," -i\t-ni\tINTERPRET (don't interpret) tab, bs and ff chars\n"); #if LPR_PRINT fprintf(stderr," -Pprinter -nP\tSEND (don't send) directly to the printer"); #ifdef LPR_OPT if (LPR_OPT != NULL && sizeof(LPR_OPT) > 0) fprintf(stderr,"\n\t\t\t(with options '%s' and -Pprinter)", LPR_OPT); #endif fprintf(stderr, "\n"); #endif fprintf(stderr," -r\t-nr\tRESTART (don't restart) page number after each file\n"); #ifdef RECTO_VERSO_PRINTING #ifdef TWOSIDED_DFLT fprintf(stderr," -s1\t-s2\tone-sided (TWO-SIDED) printing\n"); #else fprintf(stderr," -s1\t-s2\tONE-SIDED (two-sided) printing\n"); #endif #endif fprintf(stderr," -tnum\t\tset tab size to n\n"); fprintf(stderr," \t-nu\tdon't print a filename footer\n"); fprintf(stderr," -v\t-nv\tVISIBLE (blank) display of unprintable chars\n"); fprintf(stderr," -8\t-n8\tdisplay (DON'T DISPLAY) 8-bit chars\n"); exit(failure); } /* * Set an option only if it's global. */ void set_global_option(arg) char *arg; { switch (arg[1]) { case '?': /* help */ case 'h': usage(EXIT_SUCCESS); case 'b': /* print binary files */ if (arg[2] != NUL) usage(EXIT_FAILURE); print_binaries = TRUE; break; case 'c': /* allow two files per sheet */ if (arg[2] != NUL) usage(EXIT_FAILURE); twinfiles = TRUE; break; case 'f': /* fold lines too large */ if (arg[2] != NUL) usage(EXIT_FAILURE); folding = TRUE; break; case 'I': /* include this file as a2ps prologue */ if (arg[2] == NUL) usage(EXIT_FAILURE); prologue = arg+2; break; case 'i': /* interpret control chars */ if (arg[2] != NUL) usage(EXIT_FAILURE); interpret = TRUE; break; case 'n': if (arg[2] == NUL) return; if (arg[3] != NUL) usage(EXIT_FAILURE); switch (arg[2]) { case 'b': /* don't print binaries */ print_binaries = FALSE; break; case 'c': /* don't allow 2 files/sheet */ twinfiles = FALSE; break; case 'f': /* cut lines too long */ folding = FALSE; break; case 'H': /* don't print header */ no_header = TRUE; break; case 'i': /* don't interpret ctrl chars */ interpret = FALSE; break; #if LPR_PRINT case 'P': /* don't lpr */ lpr_print = FALSE; break; #endif case 'r': /* don't restart sheet number */ restart = FALSE; break; case 'v': /* only printable chars */ only_printable = TRUE; break; case '8': /* don't print 8-bit chars */ ISOlatin1 = FALSE; break; case 'B': case 'd': case 'L': case 'm': case 'n': case 's': case 'u': if (arg[3] != NUL) usage(EXIT_FAILURE); return; default: usage(EXIT_FAILURE); } break; #if LPR_PRINT case 'P': /* fork a process to print */ if (arg[2] != NUL) { lpr_opt = (char *)malloc(strlen(arg)+1); strcpy(lpr_opt, arg); } lpr_print = TRUE; break; #endif case 'q': /* don't print a summary */ no_summary = TRUE; break; case 'r': /* restart sheet number */ if (arg[2] != NUL) usage(EXIT_FAILURE); restart = TRUE; break; case 's': if (arg[2] == NUL) return; #ifdef RECTO_VERSO_PRINTING if (arg[3] == NUL) { if (arg[2] == '1') { /* one-sided printing */ rectoverso = FALSE; break; } if (arg[2] == '2') { /* two-sided printing */ rectoverso = TRUE; break; } } #endif usage(EXIT_FAILURE); break; case 't': /* set tab size */ if (arg[2] == NUL || (column_width = atoi(arg+2)) <= 0) usage(EXIT_FAILURE); break; case 'v': /* print control chars */ if (arg[2] != NUL) usage(EXIT_FAILURE); only_printable = FALSE; break; case '8': /* print 8-bit chars */ if (arg[2] != NUL) usage(EXIT_FAILURE); ISOlatin1 = TRUE; break; case '1': case '2': case 'B': case 'd': case 'm': case 'p': if (arg[2] != NUL) usage(EXIT_FAILURE); case '#': case 'F': case 'H': case 'l': return; default: usage(EXIT_FAILURE); } arg[0] = NUL; } /* * Set an option of the command line. This option will be applied * to all files that will be found in the rest of the command line. * The -H option is the only exception: it is applied only to the * file. */ void set_positional_option(arg) char *arg; { int copies; int lines; float size; switch (arg[1]) { case NUL: /* global option */ break; case '#': /* n copies */ if (sscanf(&arg[2], "%d", &copies) != 1 || copies <= 0) fprintf(stderr, "Bad number of copies: '%s'. Ignored\n", &arg[2]); else copies_number = copies; printf("/#copies %d def\n", copies_number); break; case '1': /* 1 logical page per sheet */ if (arg[2] != NUL) usage(EXIT_FAILURE); new_twinpages = FALSE; break; case '2': /* twin pages */ if (arg[2] != NUL) usage(EXIT_FAILURE); new_twinpages = TRUE; break; case 'B': new_fontweight = BOLD; /* use bold font */ break; case 'd': /* print current date/time */ printdate = TRUE; break; case 'F': /* change font size */ if (arg[2] == NUL || sscanf(&arg[2], "%f", &size) != 1 || size == 0.0) { fprintf(stderr, "Wrong value for option -F: '%s'. Ignored\n", &arg[2]); break; } new_fontsize = size; break; case 'H': /* header text */ header_text = arg+2; break; case 'l': if (arg[2] == NUL) { /* landscape format */ new_landscape = TRUE; break; } /* set lines per page */ /* Useful with preformatted files. Scaling is automatically */ /* done when necessary. */ if (sscanf(&arg[2], "%d", &lines) != 1 || lines < 0 || lines > MAX_LINES) { fprintf(stderr, "Wrong value for option -l: '%s'. Ignored\n", &arg[2]); break; } new_linesrequest = lines; break; case 'm': /* Process file as a man */ new_linesrequest = MAN_LINES; numbering = FALSE; break; case 'n': /* number file lines */ if (arg[2] == NUL) { numbering = TRUE; break; } switch (arg[2]) { case 'B': /* disable bold text */ new_fontweight = NORMAL; break; case 'd': /* don't print date/time */ printdate = FALSE; break; #if defined(SYSV) || defined(BSD) case 'L': /* no login name in footer */ login_id = FALSE; break; #endif case 'l': /* portrait format */ new_landscape = FALSE; break; case 'm': /* stop processing as a man */ new_linesrequest = 0; break; case 'n': /* don't number lines */ numbering = FALSE; break; case 'p': /* landscape format */ new_landscape = TRUE; break; case 's': /* no surrounding border */ no_border = TRUE; break; case 'u': /* no filename in footer */ filename_footer = FALSE; break; default: usage(EXIT_FAILURE); } break; case 'p': /* portrait format */ if (arg[2] != NUL) usage(EXIT_FAILURE); new_landscape = FALSE; break; case 's': /* surrounding border */ if (arg[2] != NUL) usage(EXIT_FAILURE); no_border = FALSE; break; default: usage(EXIT_FAILURE); } } /****************************************************************/ /* Service routines */ /****************************************************************/ /* * This routine buffers a line of input, release one character at a time * or a whole sequence of characters with some meaning like bold sequences * produced by nroff (no others sequences are recognized by the moment): * <\b><\b><\b> */ int mygetc(statusp) int *statusp; { #define BUFFER_SIZE 512 static int curr = 0; static int size = 0; static unsigned char buffer[BUFFER_SIZE+1]; int c; *statusp = IS_ROMAN; /* Read a new line, if necessary */ if (curr >= size) { if (fgets((char *)buffer, BUFFER_SIZE+1, stdin) == NULL) return EOF; size = strlen((char *)buffer); if (size < BUFFER_SIZE && buffer[size-1] != '\n') { buffer[size] = '\n'; buffer[++size] = '\0'; } curr = 0; } if (buffer[curr+1] != '\b') /* this is not a special sequence */ return buffer[curr++]; /* Check if it is a bold sequence */ c = buffer[curr++]; if (c == buffer[curr+1] && buffer[curr] == buffer[curr+2] && c == buffer[curr+3] && buffer[curr] == buffer[curr+4] && c == buffer[curr+5]) { *statusp = IS_BOLD; curr += 6; } /* Return the first character of the sequence */ return c; } /* * Test if we have a binary file. */ int is_binaryfile(name) char *name; { if (chars > 120 || pages > 1) { first_page = FALSE; if (chars && !print_binaries && (nonprinting_chars*100 / chars) >= 60) { fprintf(stderr, "%s is a binary file: printing aborted\n", name); return TRUE; } } return FALSE; } /* * Cut long filenames. */ void cut_filename(old_name, new_name) char *old_name, *new_name; { char *p; int i; char *separator; if ((i = strlen(old_name)) <= MAXFILENAME) { strcpy(new_name, old_name); return; } p = old_name + (i-1); separator = NULL; i = 1; while (p >= old_name && i < MAXFILENAME) { if (*p == DIR_SEP) separator = p; p--; i++; } if (separator != NULL) p = separator; else if (p >= old_name) while (p >= old_name && *p != DIR_SEP) p--; for (i = 0, p++; *p != NUL; i++) *new_name++ = *p++; *new_name = NUL; } /* * Print a char in a form accepted by postscript printers. */ int printchar(unsigned char c){ if (c >= ' ' && c < 0177) { if (c == '(' || c == ')' || c == '\\') putchar('\\'); putchar(c); return 0; } if (ISOlatin1 && (c > 0177)) { printf("\\%o", c); return 0; } if (only_printable) { putchar(' '); return 1; } if (c > 0177) { printf("M-"); c &= 0177; } if (c < ' ') { putchar('^'); if ((c = c + '@') == '(' || c == ')' || c == '\\') putchar('\\'); putchar(c); } else if (c == 0177) printf("^?"); else { if (c == '(' || c == ')' || c == '\\') putchar('\\'); putchar(c); } return 1; } /* * Begins a new logical page. */ void skip_page() { if (twinpages == FALSE || sheetside == 0) { printf("%%%%Page: %d %d\n", sheets+1, sheets+1); printf("/pagesave save def\n"); /* Reinitialize state variables for each new sheet */ print_page_prologue(0); } startpage(); } /* * Fold a line too long. */ int fold_line(name) char *name; { column = 0; printf(") s\n"); if (++line >= linesperpage) { endpage(); skip_page(); if (first_page && is_binaryfile(name)) return FALSE; line = 0; } if (numbering) printf("( +"); else printf("( "); return TRUE; } /* * Cut a textline too long to the size of a page line. */ int cut_line() { int c; int status; while ((c = mygetc(&status)) != EOF && c != '\n' && c != '\f'); return c; } /****************************************************************/ /* "Postscript" routines. */ /****************************************************************/ /* * Print a physical page. */ void printpage() { sheetside = 0; sheets++; printf("/sd 0 def\n"); if (no_border == FALSE) printf("%d sn\n", sheets - (restart ? old_sheets : 0)); if (printdate) printf("cd\n"); if (filename_footer && landscape) printf("fnf\n"); #if defined(SYSV) || defined(BSD) if (login_id) printf("lg lgp\n"); #endif printf("pagesave restore\n"); printf("showpage\n"); } /* * Prints page header and page border and * initializes printing of the file lines. */ void startpage() { if (sheetside == 0) { #ifdef RECTO_VERSO_PRINTING if (rectoverso && (sheets & 0x1)) { /* Shift to left backside pages. */ printf("rm neg 0 translate\n"); } #endif if (landscape) { printf("sw 0 translate\n"); printf("90 rotate\n"); } } pages++; if (no_header == FALSE) printf("%d hp\n", pages - old_pages); if (no_border == FALSE) { printf("border\n"); if (no_header == FALSE) printf("hborder\n"); } printf("/x0 x %d get bm add def\n", sheetside); printf("/y0 y %d get bm bfs add %s add sub def\n", sheetside, no_header ? "0" : "hs"); printf("x0 y0 moveto\n"); printf("bf setfont\n"); } /* * Terminates printing, flushing last page. */ void cleanup() { if (twinpages && sheetside == 1) printpage(); #ifdef RECTO_VERSO_PRINTING if (!twinfiles && rectoverso && (sheets & 0x1) != 0) { sheetside = 0; sheets++; printf("%%%%Page: %d %d\n", sheets, sheets); printf("showpage\n"); } #endif } /* * Adds a sheet number to the page (footnote) and prints the formatted * page (physical impression). Activated at the end of each source page. */ void endpage() { if (twinpages && sheetside == 0) { sheetside = 1; printf("/sd 1 def\n"); } else printpage(); } /****************************************************************/ /* Printing a file */ /****************************************************************/ /* * Print the file prologue. */ void init_file_printing(name, title) char *name, *title; { int new_format, new_font; char *string; int lines; float char_width; struct stat statbuf; /* Print last page of previous file, if necessary */ if (pages > 0 && !twinfiles) cleanup(); /* Initialize variables related to the format */ new_format = FALSE; if (new_landscape != landscape || new_twinpages != twinpages) { landscape = new_landscape; twinpages = new_twinpages; new_format = TRUE; } /* Initialize variables related to the header */ if (no_header && name == title) header_size = 0.0; else { if (landscape || twinpages) header_size = LANDSCAPE_HEADER * PIXELS_INCH; else header_size = PORTRAIT_HEADER * PIXELS_INCH; cut_filename(title, current_filename); } /* Initialize variables related to the font size */ new_font = FALSE; if (fontsize != new_fontsize || new_format || lines_requested != new_linesrequest || fontweight != new_fontweight) { if (new_fontsize == 0.0 || (fontsize == new_fontsize && new_format)) new_fontsize = landscape ? 6.8 : twinpages ? 6.4 : 9.0; if (lines_requested != new_linesrequest) { if ((lines_requested = new_linesrequest) != 0) { /* Scale fontsize */ if (landscape) lines = (int)((page_width-header_size) / new_fontsize) - 1; else if (twinpages) lines = (int)(((page_height - 2*header_size) / 2) / new_fontsize) - 2; else lines = (int)((page_height-header_size) / new_fontsize) - 1; new_fontsize *= (float)lines / (float)lines_requested; } } fontsize = new_fontsize; fontweight = new_fontweight; new_font = TRUE; } /* Initialize file printing, if there is any change */ if (new_format || new_font) { char_width = 0.6 * fontsize; if (landscape) { linesperpage = (int)((page_width - header_size) / fontsize) - 1; if (! twinpages) columnsperline = (int)(page_height / char_width) - 1; else columnsperline = (int)((page_height / 2) / char_width) - 1; } else { if (!twinpages) linesperpage = (int)((page_height - header_size) / fontsize) - 1; else linesperpage = (int)(((page_height - 2*header_size) / 2) / fontsize) - 2; columnsperline = (int)(page_width / char_width) - 1; } if (lines_requested > 0) linesperpage = lines_requested; if (linesperpage <= 0 || columnsperline <= 0) { fprintf(stderr, "Font %g too big !!\n", fontsize); exit(EXIT_FAILURE); } } /* Retrieve file modification date and hour */ if (fstat(fileno(stdin), &statbuf) == -1) { fprintf(stderr, "Error getting file modification time\n"); exit(EXIT_FAILURE); } /* Do we have a pipe? */ if (S_ISFIFO(statbuf.st_mode)) strcpy(filedate, currentdate); else { string = ctime(&statbuf.st_mtime); sprintf(filedate, "%.6s %.4s %.5s", string+4, string+20, string+11); } } /* * Print the prologue necessary for printing each physical page. * Adobe convention for page independence is enforced through this routine. */ void print_page_prologue(side) int side; /* Logical page to print (left/right) */ { /* General format */ printf("/twp %s def\n", twinpages ? "true" : "false"); printf("/fnfs %d def\n", landscape ? 11 : twinpages ? 10 : 15); printf("/dfs fnfs 0.8 mul def\n"); printf("/df /Helvetica dfs getfont def\n"); printf("/dw df setfont td stringwidth pop def\n"); printf("/sfnf filenmfontname fnfs getfont def\n"); printf("/hm fnfs 0.25 mul def\n"); /* Header size */ if (header_size == 0.0) printf("/hs 0.0 def\n"); else printf("/hs %g inch def\n", landscape || twinpages ? LANDSCAPE_HEADER : PORTRAIT_HEADER); /* Font sizes */ printf("/bfs %g def\n", fontsize); printf("/bdf /Courier-Bold bfs getfont def\n"); printf("/bm bfs 0.7 mul def\n"); printf("/bf %s bfs getfont def\n", fontweight == NORMAL ? "/CourierBack" : "/Courier-Bold"); /* Page attributes */ printf("/l %d def\n", linesperpage); printf("/c %d def\n", columnsperline); printf("/pw\n"); printf(" bf setfont (0) stringwidth pop c mul bm dup add add\n"); printf(" def\n"); printf("/ph\n"); printf(" bfs l mul bm dup add add hs add\n"); printf(" def\n"); printf("/fns\n"); printf(" pw\n"); printf(" fnfs 4 mul dw add (Page 999) stringwidth pop add\n"); printf(" sub\n"); printf(" def\n"); printf("/tm margin twp {3} {2} ifelse div def\n"); printf("/sd %d def\n", side); if (landscape) { printf("/y [ rm ph add bm add\n"); printf(" dup ] def\n"); printf("/sny dfs dfs add def\n"); printf("/snx sh tm dfs add sub def\n"); printf("/dy sny def\n"); printf("/dx tm dfs add def\n"); if (twinpages) { printf("/x [ tm %% left page\n"); printf(" dup 2 mul pw add %% right page\n"); printf(" ] def\n"); } else { printf("/x [ tm dup ] def\n"); } printf("/scx sh 2 div def\n"); } else { printf("/x [ lm dup ] def\n"); printf("/sny tm dfs 2 mul sub def\n"); printf("/snx sw rm sub dfs sub def\n"); printf("/dy sny def\n"); printf("/dx lm def\n"); if (twinpages) { printf("/y [ tm ph add 2 mul %% up\n"); printf(" tm ph add %% down\n"); printf(" ] def\n"); } else { printf("\n%% Only one logical page\n"); printf("/y [ sh tm sub dup ] def\n"); } printf("/scx sw 2 div def\n"); } printf("/fny dy def\n"); printf("/fnx scx def\n"); printf("/ly fnfs 2 div y sd get add def\n"); printf("/lx snx def\n"); printf("/d (%s) def\n", filedate); printf("( %s ) fn\n", current_filename); } /* * Print one file. */ void print_file(name, header) char *name, *header; { int c; int nchars; int start_line, start_page; int continue_exit; int status, new_status; /* Reinitialize postscript variables depending on positional options */ init_file_printing(name, header == NULL ? name : header); /* If we are in compact mode and the file beginning is to be printed */ /* in the middle of a twinpage, we have to print a new page prologue */ if (twinfiles && sheetside == 1) print_page_prologue(1); /* * Boolean to indicates that previous char is \n (or interpreted \f) * and a new page would be started, if more text follows */ start_page = FALSE; /* * Printing binary files is not very useful. We stop printing * if we detect one of these files. Our heuristic to detect them: * if 75% characters of first page are non-printing characters, * the file is a binary file. * Option -b force binary files impression. */ nonprinting_chars = chars = 0; /* Initialize printing variables */ column = 0; line = line_number = 0; first_page = TRUE; start_line = TRUE; prefix_width = numbering ? 6 : 1; /* Start printing */ skip_page(); /* Process each character of the file */ status = IS_ROMAN; c = mygetc(&new_status); while (c != EOF) { /* * Preprocessing (before printing): * - TABs expansion (see interpret option) * - FF and BS interpretation * - replace non printable characters by a space or a char sequence * like: * ^X for ascii codes < 0x20 (X = [@, A, B, ...]) * ^? for del char * M-c for ascii codes > 0x3f * - prefix parents and backslash ['(', ')', '\'] by backslash * (escape character in postcript) */ /* Form feed */ if (c == '\f' && interpret) { /* Close current line */ if (!start_line) { printf(") s\n"); start_line = TRUE; } /* start a new page ? */ if (start_page) skip_page(); /* Close current page and begin another */ endpage(); start_page = TRUE; /* Verification for binary files */ if (first_page && is_binaryfile(name)) return; line = 0; column = 0; if ((c = mygetc(&new_status)) == EOF) break; } /* Start a new line ? */ if (start_line) { if (start_page) { /* only if there is something to print! */ skip_page(); start_page = FALSE ; } if (numbering) printf("(%4d|", ++line_number); else printf("( "); start_line = FALSE; } /* Is a new font ? This feature is used only to detect bold */ /* sequences produced by nroff (man pages), in connexion with */ /* mygetc. */ if (status != new_status) { printf(")\n"); printf("%s", status == IS_ROMAN ? "b" : "st"); printf(" ("); status = new_status; } /* Interpret each character */ switch (c) { case '\b': if (!interpret) goto print; /* A backspace is converted to 2 chars ('\b'). These chars */ /* with the Courier backspace font produce correct under- */ /* lined strings. */ if (column) column--; putchar('\\'); putchar('b'); break; case '\n': column = 0; start_line = TRUE; printf(") s\n"); if (++line >= linesperpage) { endpage(); start_page = TRUE ; if (first_page && is_binaryfile(name)) return; line = 0; } break; case '\t': if (interpret) { continue_exit = FALSE; do { if (++column + prefix_width > columnsperline) { if (folding) { if (fold_line(name) == FALSE) return; } else { c = cut_line(); continue_exit = TRUE; break; } } putchar(' '); } while (column % column_width); if (continue_exit) continue; break; } default: print: if (only_printable) { nchars = 1; } else if (! ISOlatin1) { nchars = c > 0177 ? 2 : 0; nchars += (c&0177) < ' ' || (c&0177) == 0177 ? 2 : 1; } else { nchars = c < ' ' || (c >= 0177 && c < 144) ? 2 : 1; } if (prefix_width + (column += nchars) > columnsperline) { if (folding) { if (fold_line(name) == FALSE) { return; } } else { c = cut_line(); new_status = IS_ROMAN; continue; } } nonprinting_chars += printchar(c); chars++; break; } c = mygetc(&new_status); } if (!start_line) printf(") s\n"); if (!start_page) endpage(); } /****************************************************************/ /* Print a postscript prologue for a2ps. */ /****************************************************************/ /* * Print the a2ps prologue. */ void print_prologue() { int c; FILE *f; char *datestring; #if defined(SYSV) || defined(BSD) char *logname, *host; int rt; #endif #if defined(SYSV) struct utsname snames; #endif /* Retrieve date and hour */ #if defined(__STDC__) time_t date; if (time(&date) == -1) { fprintf(stderr, "Error calculating time\n"); exit(EXIT_FAILURE); } datestring = ctime(&date); #else #ifdef BSD struct timeval date; struct tm *p; (void) gettimeofday(&date, (struct timezone *)0); p = localtime(&date.tv_sec); datestring = asctime(p); #else #ifdef SYSV struct timeb date; (void)ftime(&date); datestring = ctime(&date.time); #else datestring = "--- --- -- --:--:-- ----"; #endif #endif #endif #if defined(SYSV) || defined(BSD) /* Retrieve user's login name and hostname */ logname = getlogin(); host = (char *)malloc(MAX_HOSTNAME); if (host != NULL) { #if defined(SYSV) if ((rt = uname(&snames)) == -1 || snames.nodename[0] == NULL) { free(host); host = NULL; } else strcpy(host, snames.nodename); #else if ((rt = gethostname(host, MAX_HOSTNAME)) == -1 || host[0] == NULL) { free(host); host = NULL; } #endif } #endif /* Print a general prologue */ if (prologue == NULL) print_standard_prologue(datestring); else if ((f = fopen(prologue, "r")) != NULL) { /* Header file printing */ while ((c = getc(f)) != EOF) putchar(c); } else { fprintf(stderr, "Postscript header missing: %s\n", prologue); exit(EXIT_FAILURE); } /* Completes the prologue with a2ps static variables */ printf("\n%% Initialize page description variables.\n"); printf("/x0 0 def\n"); printf("/y0 0 def\n"); printf("/sh %g inch def\n", (double)HEIGHT); printf("/sw %g inch def\n", (double)WIDTH); printf("/margin %g inch def\n", (double)MARGIN); printf("/rm margin 3 div def\n"); printf("/lm margin 2 mul 3 div def\n"); printf("/d () def\n"); /* And print them */ sprintf(currentdate, "%.6s %.4s %.5s", datestring+4, datestring+20, datestring+11); printf("/td (%s) def\n", currentdate); #if defined(SYSV) || defined(BSD) /* Add the user's login name string to the Postscript output */ if (logname != NULL || host != NULL) { if (logname != NULL && host != NULL) printf("/lg (Printed by %s from %s) def\n", logname, host); else if (logname != NULL) printf("/lg (Printed by %s) def\n", logname); else printf("/lg (Printed from %s) def\n", host); } /* If the host string was allocated via malloc, release the memory */ if (host != NULL) free(host); #endif /* Close prolog */ printf("%%%%EndProlog\n\n"); /* Go on */ printf("/docsave save def\n"); } /* * Print the standard prologue. */ void print_standard_prologue(datestring) char *datestring; { printf("%%!PS-Adobe-3.0\n"); printf("%%%%Creator: A2ps version %s\n", VERSION); printf("%%%%CreationDate: %.24s\n", datestring); printf("%%%%Pages: (atend)\n"); printf("%%%%DocumentFonts: Courier Courier-Bold Helvetica Helvetica-Bold\n"); printf("%%%%EndComments\n"); printf("%% Copyright (c) 1993, 1994, Miguel Santana, M.Santana@frgu.bull.fr\n"); printf("\n/$a2psdict 100 dict def\n"); printf("$a2psdict begin\n"); printf("\n%% General macros.\n"); printf("/xdef {exch def} bind def\n"); printf("/getfont {exch findfont exch scalefont} bind def\n"); if (ISOlatin1) { printf("\n%% Set up ISO Latin 1 character encoding\n"); printf("/reencodeISO {\n"); printf(" dup dup findfont dup length dict begin\n"); printf(" { 1 index /FID ne { def }{ pop pop } ifelse\n"); printf(" } forall\n"); printf(" /Encoding ISOLatin1Encoding def\n"); printf(" currentdict end definefont\n"); printf("} def\n"); printf("/Helvetica-Bold reencodeISO def\n"); printf("/Helvetica reencodeISO def\n"); printf("/Courier reencodeISO def\n"); printf("/Courier-Bold reencodeISO def\n"); } printf("\n%% Create Courier backspace font\n"); printf("/backspacefont {\n"); printf(" /Courier findfont dup length dict begin\n"); printf(" { %% forall\n"); printf(" 1 index /FID eq { pop pop } { def } ifelse\n"); printf(" } forall\n"); printf(" currentdict /UniqueID known { %% if\n"); printf(" /UniqueID UniqueID 16#800000 xor def\n"); printf(" } if\n"); printf(" CharStrings length 1 add dict begin\n"); printf(" CharStrings { def } forall\n"); printf(" /backspace { -600 0 0 0 0 0 setcachedevice } bind def\n"); printf(" currentdict\n"); printf(" end\n"); printf(" /CharStrings exch def\n"); printf(" /Encoding Encoding 256 array copy def\n"); printf(" Encoding 8 /backspace put\n"); printf(" currentdict\n"); printf(" end\n"); printf(" definefont pop\n"); printf("} bind def\n"); printf("\n%% FUNCTIONS\n"); printf("\n%% Function filename: Initialize file printing.\n"); printf("/fn\n"); printf("{ /filenm xdef\n"); printf(" /filenmwidth filenm stringwidth pop def\n"); printf(" /filenmfont\n"); printf(" filenmwidth fns gt\n"); printf(" {\n"); printf(" filenmfontname\n"); printf(" fnfs fns mul filenmwidth div\n"); printf(" getfont\n"); printf(" }\n"); printf(" { sfnf }\n"); printf(" ifelse\n"); printf(" def\n"); printf("} bind def\n"); printf("\n%% Function header: prints page header. no page\n"); printf("%% is passed as argument.\n"); printf("/hp\n"); printf(" { x sd get y sd get hs sub 1 add moveto\n"); printf(" df setfont\n"); printf(" gsave\n"); printf(" x sd get y sd get moveto\n"); printf(" 0 hs 2 div neg rmoveto \n"); printf(" hs setlinewidth\n"); printf(" 0.95 setgray\n"); printf(" pw 0 rlineto stroke\n"); printf(" grestore\n"); printf(" gsave\n"); printf(" dfs hm rmoveto\n"); printf(" d show %% date/hour\n"); printf(" grestore\n"); printf(" gsave\n"); printf(" pnum cvs pop %% page pop up\n"); printf(" pw (Page 999) stringwidth pop sub\n"); printf(" hm\n"); printf(" rmoveto\n"); printf(" (Page ) show pnum show %% page number\n"); printf(" grestore\n"); printf(" empty pnum copy pop\n"); printf(" gsave\n"); printf(" filenmfont setfont\n"); printf(" fns filenm stringwidth pop sub 2 div dw add\n"); printf(" bm 2 mul \n"); printf(" add \n"); printf(" hm\n"); printf(" rmoveto\n"); printf(" filenm show %% file name\n"); printf(" grestore\n"); printf(" } bind def\n"); printf("\n%% Function border: prints border page\n"); printf("/border \n"); printf("{ x sd get y sd get moveto\n"); printf(" gsave %% print four sides\n"); printf(" 0.7 setlinewidth %% of the square\n"); printf(" pw 0 rlineto\n"); printf(" 0 ph neg rlineto\n"); printf(" pw neg 0 rlineto\n"); printf(" closepath stroke\n"); printf(" grestore\n"); printf("} bind def\n"); printf("\n%% Function hborder: completes border of the header.\n"); printf("/hborder \n"); printf("{ gsave\n"); printf(" 0.7 setlinewidth\n"); printf(" 0 hs neg rmoveto\n"); printf(" pw 0 rlineto\n"); printf(" stroke\n"); printf(" grestore\n"); printf("} bind def\n"); printf("\n%% Function sheetnumber: prints the sheet number.\n"); printf("/sn\n"); printf(" { snx sny moveto\n"); printf(" df setfont\n"); printf(" pnum cvs\n"); printf(" dup stringwidth pop (0) stringwidth pop sub neg 0 rmoveto show\n"); printf(" empty pnum copy pop\n"); printf(" } bind def\n"); printf("\n%% Function loginprint: prints the login id of the requestor.\n"); printf("/lgp\n"); printf(" { lx ly moveto\n"); printf(" df setfont\n"); printf(" dup stringwidth pop neg 0 rmoveto show\n"); printf(" } bind def\n"); printf("\n%% Function currentdate: prints the current date.\n"); printf("/cd\n"); printf(" { dx dy moveto\n"); printf(" df setfont\n"); printf(" (Printed: ) show\n"); printf(" td show\n"); printf(" } bind def\n"); printf("\n%% Function filename_footer: prints the file name at bottom of page.\n"); printf("/fnf\n"); printf(" { fnx fny moveto\n"); printf(" df setfont\n"); printf(" filenm center show\n"); printf(" } bind def\n"); printf("\n%% Function center: centers text.\n"); printf("/center\n"); printf(" { dup stringwidth pop\n"); printf(" 2 div neg 0 rmoveto\n"); printf(" } bind def\n"); printf("\n%% Function s: print a source line\n"); printf("/s { show\n"); printf(" /y0 y0 bfs sub def\n"); printf(" x0 y0 moveto\n"); printf(" } bind def\n"); printf("\n%% Functions b and st: change to bold or standard font\n"); printf("/b { show\n"); printf(" bdf setfont\n"); printf(" } bind def\n"); printf("/st { show\n"); printf(" bf setfont\n"); printf(" } bind def\n"); printf("\n%% Strings used to make easy printing numbers\n"); printf("/pnum 12 string def\n"); printf("/empty 12 string def\n"); printf("\n%% Global initializations\n"); printf("\n/CourierBack backspacefont\n"); printf("/filenmfontname /Helvetica-Bold def\n"); printf("/inch {72 mul} bind def\n"); printf("\n%%\n"); printf("%% Meaning of some variables and functions (coded names)\n"); printf("%%\n"); printf("%% twp: twinpages?\n"); printf("%% sd: sheet side\n"); printf("%% l: line counter\n"); printf("%% c: column counter\n"); printf("%% d: date\n"); printf("%% td: current date (for today)\n"); printf("%% lg: login name\n"); printf("%% fn: filename printing function\n"); printf("%% sn: sheetnumber printing function\n"); printf("%% cd: current date printing function\n"); printf("%% fnf: filename footer printing function\n"); printf("%% lgp: login printing function\n"); printf("%% hp: header printing function\n"); printf("%% y: y coordinate for the logical page\n"); printf("%% x: x coordinate for the logical page\n"); printf("%% sny: y coordinate for the sheet number\n"); printf("%% snx: x coordinate for the sheet number\n"); printf("%% dy: y coordinate for the date\n"); printf("%% dx: x coordinate for the date\n"); printf("%% ly: y coordinate for the login\n"); printf("%% lx: x coordinate for the login\n"); printf("%% scx: x coordinate for the sheet center\n"); printf("%% fny: y coordinate for the filename (footer)\n"); printf("%% fnx: x coordinate for the filename (footer)\n"); printf("%% fnfs: filename font size\n"); printf("%% bfs: body font size\n"); printf("%% dfs: date font size\n"); printf("%% bfs: body font size\n"); printf("%% df: date font\n"); printf("%% bf: body font\n"); printf("%% bdf: bold font\n"); printf("%% sfnf: standard filename font\n"); printf("%% dw: date width\n"); printf("%% pw: page width\n"); printf("%% sw: sheet width\n"); printf("%% ph: page height\n"); printf("%% sh: sheet height\n"); printf("%% hm: header margin\n"); printf("%% tm: top margin\n"); printf("%% bm: body margin\n"); printf("%% rm: right margin\n"); printf("%% lm: left margin\n"); printf("%% hs: header size\n"); printf("%% fns: filename size\n"); } /* * Main routine for a2ps. */ int main(argc, argv) int argc; char *argv[]; { int narg; char *arg; int total; #if LPR_PRINT int fd[2]; const char *lpr_args[10]; #endif /* Process global options */ command = argv[0]; arg = argv[narg = 1]; while (narg < argc) { if (arg[0] == '-') set_global_option(arg); arg = argv[++narg]; } #if LPR_PRINT /* Start lpr process */ if (lpr_print) { pipe(fd); if (fork() == 0) { dup2(fd[0], 0); close(fd[0]); close(fd[1]); narg = 0; lpr_args[narg++] = LPR_COMMAND; #ifdef LPR_OPT lpr_args[narg++] = LPR_OPT; #endif if (lpr_opt) lpr_args[narg++] = lpr_opt; #ifdef RECTO_VERSO_PRINTING if (rectoverso) lpr_args[narg++] = TWOSIDED; else lpr_args[narg++] = ONESIDED; #endif lpr_args[narg] = (char *)0; execvp(LPR_COMMAND, (char**)lpr_args); fprintf(stderr, "Error starting lpr process \n"); exit(EXIT_FAILURE); } dup2(fd[1],1); close(fd[0]); close(fd[1]); } #endif /* Initialize variables not depending of positional options */ landscape = twinpages = -1; /* To force format switching */ fontsize = -1.0; /* To force fontsize switching */ page_height = (double)(HEIGHT - MARGIN) * PIXELS_INCH; page_width = (double)(WIDTH - MARGIN) * PIXELS_INCH; /* Postcript prologue printing */ print_prologue(); /* Print files designated or standard input */ arg = argv[narg = 1]; while (narg < argc) { if (arg[0] != NUL) { if (arg[0] == '-') set_positional_option(arg); else { if (freopen(arg, "r", stdin) == NULL) { fprintf(stderr, "Error opening %s\n", arg); cleanup(); printf("\n%%%%Trailer\ndocsave restore end\n\4"); exit(EXIT_FAILURE); } no_files = FALSE; /* Save counters values */ old_pages = pages; if (twinfiles && twinpages) old_sheets = sheets; else old_sheets = sheets + sheetside; /* Print the file */ print_file(arg, header_text); /* Print the number of pages and sheets printed */ if (no_summary == FALSE) { total = pages - old_pages; fprintf(stderr, "[%s: %d page%s on ", arg, total, total == 1 ? "" : "s"); total = sheets - old_sheets + sheetside; #ifdef RECTO_VERSO_PRINTING if (rectoverso) total = (total+1) / 2; #endif fprintf(stderr, "%d sheet%s]\n", total, total == 1 ? "" : "s"); } /* Reinitialize header title */ header_text = NULL; } } arg = argv[++narg]; } if (no_files) print_file((char*)"stdin", header_text); /* Print the total number of pages printed */ if (no_summary == FALSE && pages != old_pages) { fprintf(stderr, "[Total: %d page%s on ", pages, pages == 1 ? "" : "s"); total = sheets + sheetside; #ifdef RECTO_VERSO_PRINTING if (rectoverso) total = (total+1) / 2; #endif fprintf(stderr, "%d sheet%s]\n", total, total == 1 ? "" : "s"); } /* And stop */ cleanup(); printf("\n%%%%Trailer\n"); printf("%%%%Pages: %d\n", sheets + sheetside); printf("docsave restore end\n"); exit(EXIT_SUCCESS); } ./arbsrc_9167/TOOLS/arb_count_chars.cxx0000644012664100000130000000643111440743001017715 0ustar arb_buildcoders#include #include // #include #include #include #include #include /* count different kind of nucleotides for each alignment position */ #define MAXLETTER ('Z'-'A'+1) #define RESULTNAME "COUNTED_CHARS" int main(int argc, char **argv){ const char *db_name = ":"; // default name -> link to server if (argc >1) db_name = argv[1]; // get the name of the database int is_amino = 0; printf("Counting the number of different chars of all marked sequences\n"); GBDATA *gb_main = GB_open(":","rw"); // open database if (!gb_main){ GB_print_error(); return -1; } GB_begin_transaction(gb_main); // open transaction char *alignment_name = GBT_get_default_alignment(gb_main); // info about sequences int alignment_len = GBT_get_alignment_len(gb_main,alignment_name); is_amino = GBT_is_alignment_protein(gb_main,alignment_name); char filter[256]; if (is_amino){ memset(filter,1,256); filter[(unsigned char)'B'] = 0; filter[(unsigned char)'J'] = 0; filter[(unsigned char)'O'] = 0; filter[(unsigned char)'U'] = 0; filter[(unsigned char)'Z'] = 0; }else{ memset(filter,0,256); filter[(unsigned char)'A'] = 1; filter[(unsigned char)'C'] = 1; filter[(unsigned char)'G'] = 1; filter[(unsigned char)'T'] = 1; filter[(unsigned char)'U'] = 1; } // malloc and clear arrays for counting characters (only letters) int *counters[MAXLETTER]; int i; for (i=0;i0) sum++; } result[i] = sum<10 ? '0'+sum : 'A'-10+sum; } // save result as SAI COUNTED_CHARS { GBDATA *gb_sai = GBT_find_or_create_SAI(gb_main,RESULTNAME); if (!gb_sai) { GB_print_error(); return -1; } GBDATA *gb_data = GBT_add_data(gb_sai, alignment_name, "data", GB_STRING); GB_write_string(gb_data, result); } GB_commit_transaction(gb_main); // commit it GB_close(gb_main); // politely disconnect from server return 0; } ./arbsrc_9167/TOOLS/arb_dnarates.c0000644012664100000130000015760311440743001016636 0ustar arb_buildcoders#define programName "DNAml_rates" #define programVersion "1.0.0" #define programDate "April 11, 1992" /* Maximum likelihood site rate calculation, Gary Olsen, 1991, 1992. * * Portions based on the program dnaml version 3.3 by Joseph Felsenstein * * Copyright notice from dnaml: * * version 3.3. (c) Copyright 1986, 1990 by the University of Washington * and Joseph Felsenstein. Written by Joseph Felsenstein. Permission is * granted to copy and use this program provided no fee is charged for it * and provided that this copyright notice is not removed. */ /* Conversion to C by Gary Olsen, 1991 */ #include #include #include /* #include */ #include #include #include "DNAml_rates_1_0.h" #include #include #include #ifndef ARB_ASSERT_H #include #endif #define assert(bed) arb_assert(bed) /* Global variables */ xarray *usedxtip, *freextip; double dLidki[maxpatterns], /* change in pattern i likelihood with rate */ bestki[maxpatterns], /* best rate for pattern i */ bestLi[maxpatterns], /* best likelihood found for pattern i */ patrate[maxpatterns]; /* current rate for pattern i */ double xi, xv, ttratio, /* transition/transversion info */ freqa, freqc, freqg, freqt, /* base frequencies */ freqr, freqy, invfreqr, invfreqy, freqar, freqcy, freqgr, freqty, fracchange; /* random matching fraquency (in a sense) */ int info[maxsites+1], /* number of informative nucleotides */ patsite[maxsites+1], /* site corresponding to pattern */ pattern[maxsites+1], /* pattern number corresponding to site */ patweight[maxsites+1], /* weight of given pattern */ weight[maxsites+1]; /* weight of sequence site */ int categs, /* number of rate categories */ endsite, /* number of unique sequence patterns */ mininfo, /* minimum number of informative sequences for rate est */ numsp, /* number of species */ sites, /* number of input sequence positions */ weightsum; /* sum of weights of positions in analysis */ boolean anerror, /* error flag */ freqsfrom, /* use empirical base frequencies */ interleaved, /* input data are in interleaved format */ printdata, /* echo data to output stream */ writefile, /* put weight and rate data in file */ userweights; /* use user-supplied position weight mask */ char *y[maxsp+1]; /* sequence data array */ #if UseStdin /* Use standard input */ # define INFILE stdin #else /* Use file named "infile" */ # define INFILE fp FILE *fp; #endif #if DebugData FILE *debug; #endif /*=======================================================================*/ /* PROGRAM */ /*=======================================================================*/ #if 0 void hang(msg) char *msg; {printf("Hanging around: %s\n", msg); while(1);} #endif void getnums () /* input number of species, number of sites */ { /* getnums */ printf("\n%s, version %s, %s\n\n", programName, programVersion, programDate); printf("Portions based on Joseph Felsenstein's Nucleic acid sequence\n"); printf("Maximum Likelihood method, version 3.3\n\n"); if (fscanf(INFILE, "%d %d", &numsp, &sites) != 2) { printf("ERROR: Problem reading number of species and sites\n"); anerror = TRUE; return; } printf("%d Species, %d Sites\n\n", numsp, sites); if (numsp > maxsp) { printf("ERROR: Too many species; adjust program constants\n"); anerror = TRUE; } else if (numsp < 4) { printf("ERROR: Too few species\n"); anerror = TRUE; } if (sites > maxsites) { printf("ERROR: Too many sites; adjust program constants\n"); anerror = TRUE; } else if (sites < 1) { printf("ERROR: Too few sites\n"); anerror = TRUE; } } /* getnums */ boolean digit (ch) int ch; {return (ch >= '0' && ch <= '9'); } boolean white (ch) int ch; { return (ch == ' ' || ch == '\n' || ch == '\t'); } void uppercase (chptr) int *chptr; /* convert character to upper case -- either ASCII or EBCDIC */ { /* uppercase */ int ch; ch = *chptr; if ((ch >= 'a' && ch <= 'i') || (ch >= 'j' && ch <= 'r') || (ch >= 's' && ch <= 'z')) *chptr = ch + 'A' - 'a'; } /* uppercase */ int base36 (ch) int ch; { /* base36 */ if (ch >= '0' && ch <= '9') return (ch - '0'); else if (ch >= 'A' && ch <= 'I') return (ch - 'A' + 10); else if (ch >= 'J' && ch <= 'R') return (ch - 'J' + 19); else if (ch >= 'S' && ch <= 'Z') return (ch - 'S' + 28); else if (ch >= 'a' && ch <= 'i') return (ch - 'a' + 10); else if (ch >= 'j' && ch <= 'r') return (ch - 'j' + 19); else if (ch >= 's' && ch <= 'z') return (ch - 's' + 28); else return -1; } /* base36 */ int itobase36 (i) int i; { /* itobase36 */ if (i < 0) return '?'; else if (i < 10) return (i + '0'); else if (i < 19) return (i - 10 + 'A'); else if (i < 28) return (i - 19 + 'J'); else if (i < 36) return (i - 28 + 'S'); else return '?'; } /* itobase36 */ int findch (c) int c; { int ch; while ((ch = getc(INFILE)) != EOF && ch != c) ; return ch; } void inputweights () /* input the character weights 0, 1, 2 ... 9, A, B, ... Y, Z */ { /* inputweights */ int i, ch, wi; for (i = 2; i <= nmlngth; i++) (void) getc(INFILE); weightsum = 0; i = 1; while (i <= sites) { ch = getc(INFILE); wi = base36(ch); if (wi >= 0) weightsum += weight[i++] = wi; else if (! white(ch)) { printf("ERROR: Bad weight character: '%c'", ch); printf(" Weights must be a digit or a letter.\n"); anerror = TRUE; return; } } if (findch('\n') == EOF) { /* skip to end of line */ printf("ERROR: Missing newline at end of weight data\n"); anerror = TRUE; } } /* inputweights */ void getoptions () { /* getoptions */ int ch, i, extranum; categs = 0; /* Number of rate categories */ freqsfrom = FALSE; /* Use empirical base frequencies */ interleaved = TRUE; /* By default, data format is interleaved */ mininfo = MIN_INFO; /* Default minimum number of informative seqs */ printdata = FALSE; /* Don't echo data to output stream */ ttratio = 2.0; /* Transition/transversion rate ratio */ userweights = FALSE; /* User-defined position weights */ writefile = FALSE; /* Do not write to file */ extranum = 0; while ((ch = getc(INFILE)) != '\n' && ch != EOF) { uppercase (& ch); switch (ch) { case '1' : printdata = ! printdata; break; case 'C' : categs = -1; extranum++; break; case 'F' : freqsfrom = TRUE; break; case 'I' : interleaved = ! interleaved; break; case 'L' : break; case 'M' : mininfo = 0; extranum++; break; case 'T' : ttratio = -1.0; extranum++; break; case 'U' : break; case 'W' : userweights = TRUE; weightsum = 0; extranum++; break; case 'Y' : writefile = ! writefile; break; case ' ' : break; case '\t': break; default : printf("ERROR: Bad option character: '%c'\n", ch); anerror = TRUE; return; } } if (ch == EOF) { printf("ERROR: End-of-file in options list\n"); anerror = TRUE; return; } /* process lines with auxiliary data */ while (extranum-- && ! anerror) { ch = getc(INFILE); uppercase (& ch); switch (ch) { case 'C': if (categs >= 0) { printf("ERROR: Unexpected Categories data\n"); anerror = TRUE; } else if (fscanf(INFILE,"%d",&categs) != 1 || findch('\n')==EOF) { printf("ERROR: Problem reading number of rate categories\n"); anerror = TRUE; } else if (categs < 1 || categs > maxcategories) { printf("ERROR: Bad number of rate categories: %d\n", categs); anerror = TRUE; } break; case 'M': /* Minimum infomative sequences */ if (mininfo > 0) { printf("ERROR: Unexpected Min informative residues data\n"); anerror = TRUE; } else if (fscanf(INFILE,"%d",&mininfo)!=1 || findch('\n')==EOF) { printf("ERROR: Problem reading min informative residues\n"); anerror = TRUE; } else if (mininfo < 2 || mininfo > numsp) { printf("ERROR: Bad number for informative residues: %d\n", mininfo); anerror = TRUE; } break; case 'T': /* Transition/transversion ratio */ if (ttratio >= 0.0) { printf("ERROR: Unexpected Transition/transversion data\n"); anerror = TRUE; } else if (fscanf(INFILE,"%lf",&ttratio)!=1 || findch('\n')==EOF) { printf("ERROR: Problem reading transition/transversion data\n"); anerror = TRUE; } break; case 'W': /* Weights */ if (! userweights || weightsum > 0) { printf("ERROR: Unexpected Weights data\n"); anerror = TRUE; } else { inputweights(); } break; default: printf("ERROR: Auxiliary data line starts with '%c'\n", ch); anerror = TRUE; break; } } if (anerror) return; if (categs < 0) { printf("ERROR: Category data missing from input\n"); anerror = TRUE; return; } if (mininfo <= 0) { printf("ERROR: Minimum informative residues missing from input\n"); anerror = TRUE; return; } else { printf("There must be at least %d informative residues per column\n\n", mininfo); } if (ttratio < 0.0) { printf("ERROR: Transition/transversion data missing from input\n"); anerror = TRUE; return; } if (! userweights) { for (i = 1; i <= sites; i++) weight[i] = 1; weightsum = sites; } else if (weightsum < 1) { printf("ERROR: Weight data invalid or missing from input\n"); anerror = TRUE; return; } } /* getoptions */ void getbasefreqs () { /* getbasefreqs */ double suma, sumb; if (freqsfrom) printf("Empirical "); printf("Base Frequencies:\n\n"); if (! freqsfrom) { if (fscanf(INFILE, "%lf%lf%lf%lf", &freqa, &freqc, &freqg, &freqt) != 4 || findch('\n') == EOF) { printf("ERROR: Problem reading user base frequencies\n"); anerror = TRUE; } } printf(" A %10.5f\n", freqa); printf(" C %10.5f\n", freqc); printf(" G %10.5f\n", freqg); printf(" T(U) %10.5f\n\n", freqt); freqr = freqa + freqg; invfreqr = 1.0/freqr; freqar = freqa * invfreqr; freqgr = freqg * invfreqr; freqy = freqc + freqt; invfreqy = 1.0/freqy; freqcy = freqc * invfreqy; freqty = freqt * invfreqy; printf("Transition/transversion ratio = %10.6f\n\n", ttratio); suma = ttratio*freqr*freqy - (freqa*freqg + freqc*freqt); sumb = freqa*freqgr + freqc*freqty; xi = suma/(suma+sumb); xv = 1.0 - xi; ttratio = xi / xv; if (xi <= 0.0) { printf("WARNING: This transition/transversion ratio is\n"); printf(" impossible with these base frequencies!\n"); xi = 3/5; xv = 2/5; printf("Transition/transversion parameter reset\n\n"); } printf("(Transition/transversion parameter = %10.6f)\n\n", xi/xv); fracchange = xi*(2*freqa*freqgr + 2*freqc*freqty) + xv*(1.0 - freqa*freqa - freqc*freqc - freqg*freqg - freqt*freqt); } /* getbasefreqs */ void getyspace () { /* getyspace */ long size; int i; char *y0; size = 4 * (sites/4 + 1); if (! (y0 = malloc((unsigned) (sizeof(char) * size * (numsp+1))))) { printf("ERROR: Unable to obtain space for data array\n"); anerror = TRUE; } else { for (i = 0; i <= numsp; i++) { y[i] = y0; y0 += size; } } } /* getyspace */ void setuptree (tr, numSp) tree *tr; int numSp; { /* setuptree */ int i, j; nodeptr p = 0, q; for (i = 1; i <= numSp; i++) { /* Set-up tips */ if ((anerror = !(p = (nodeptr) malloc((unsigned) sizeof(node))))) break; p->x = (xarray *) NULL; p->tip = (char *) NULL; p->number = i; p->next = (node *) NULL; p->back = (node *) NULL; tr->nodep[i] = p; } for (i = numSp+1; i <= 2*numSp-1 && ! anerror; i++) { /* Internal nodes */ /* was : 2*numSp-2 (ralf) */ q = (node *) NULL; for (j = 1; j <= 3; j++) { if ((anerror = !(p = (nodeptr) malloc((unsigned) sizeof(node))))) break; p->x = (xarray *) NULL; p->tip = (char *) NULL; p->number = i; p->next = q; p->back = (node *) NULL; q = p; } if (anerror) break; p->next->next->next = p; tr->nodep[i] = p; } tr->likelihood = unlikely; tr->start = tr->nodep[1]; tr->mxtips = numSp; tr->ntips = 0; tr->nextnode = 0; tr->opt_level = 0; tr->smoothed = FALSE; if (anerror) printf("ERROR: Unable to obtain sufficient memory"); } /* setuptree */ void freeTreeNode(p) /* Free a tree node (sector) */ nodeptr p; { /* freeTreeNode */ if (p) { if (p->x) { if (p->x->a) free((char *) p->x->a); free ((char *) p->x); } free ((char *) p); } } /* freeTreeNode */ void freeTree (tr) tree *tr; { /* freeTree */ int i; nodeptr p, q; for (i = 1; i <= tr->mxtips; i++) freeTreeNode(tr->nodep[i]); for (i = tr->mxtips+1; i <= 2*(tr->mxtips)-2; i++) { if ((p = tr->nodep[i])) { if ((q = p->next)) { freeTreeNode(q->next); freeTreeNode(q); } freeTreeNode(p); } } } /* freeTree */ void getdata (tr) tree *tr; /* read sequences */ { /* getdata */ int i, j, k, l, basesread, basesnew, ch; int meaning[256]; /* meaning of input characters */ char *nameptr; boolean allread, firstpass; for (i = 0; i <= 255; i++) meaning[i] = 0; meaning['A'] = 1; meaning['B'] = 14; meaning['C'] = 2; meaning['D'] = 13; meaning['G'] = 4; meaning['H'] = 11; meaning['K'] = 12; meaning['M'] = 3; meaning['N'] = 15; meaning['O'] = 15; meaning['R'] = 5; meaning['S'] = 6; meaning['T'] = 8; meaning['U'] = 8; meaning['V'] = 7; meaning['W'] = 9; meaning['X'] = 15; meaning['Y'] = 10; meaning['?'] = 15; meaning['-'] = 15; basesread = basesnew = 0; allread = FALSE; firstpass = TRUE; ch = ' '; while (! allread) { for (i = 1; i <= numsp; i++) { /* Read data line */ if (firstpass) { /* Read species names */ j = 1; while (white(ch = getc(INFILE))) { /* Skip blank lines */ if (ch == '\n') j = 1; else j++; } if (j > nmlngth) { printf("ERROR: Blank name for species %d; ", i); printf("check number of species,\n"); printf(" number of sites, and interleave option.\n"); anerror = TRUE; return; } nameptr = tr->nodep[i]->name; for (k = 1; k < j; k++) *nameptr++ = ' '; while (ch != '\n' && ch != EOF) { if (ch == '_' || white(ch)) ch = ' '; *nameptr++ = ch; if (++j > nmlngth) break; ch = getc(INFILE); } while (j++ <= nmlngth) *nameptr++ = ' '; *nameptr = '\0'; /* add null termination */ if (ch == EOF) { printf("ERROR: End-of-file in name of species %d\n", i); anerror = TRUE; return; } } /* if (firstpass) */ j = basesread; while ((j < sites) && ((ch = getc(INFILE)) != EOF) && ((! interleaved) || (ch != '\n'))) { uppercase (& ch); if (meaning[ch] || ch == '.') { j++; if (ch == '.') { if (i != 1) ch = y[1][j]; else { printf("ERROR: Dot (.) found at site %d of sequence 1\n", j); anerror = TRUE; return; } } y[i][j] = ch; } else if (white(ch) || digit(ch)) ; else { printf("ERROR: Bad base (%c) at site %d of sequence %d\n", ch, j, i); anerror = TRUE; return; } } if (ch == EOF) { printf("ERROR: End-of-file at site %d of sequence %d\n", j, i); anerror = TRUE; return; } if (! firstpass && (j == basesread)) i--; /* no data on line */ else if (i == 1) basesnew = j; else if (j != basesnew) { printf("ERROR: Sequences out of alignment\n"); printf(" %d (instead of %d) residues read in sequence %d\n", j - basesread, basesnew - basesread, i); anerror = TRUE; return; } while (ch != '\n' && ch != EOF) ch = getc(INFILE); /* flush line */ } /* next sequence */ firstpass = FALSE; basesread = basesnew; allread = (basesread >= sites); } /* Print listing of sequence alignment */ if (printdata) { j = nmlngth - 5 + ((sites + ((sites-1)/10))/2); if (j < nmlngth - 1) j = nmlngth - 1; if (j > 37) j = 37; printf("Name"); for (i=1;i<=j;i++) putchar(' '); printf("Sequences\n"); printf("----"); for (i=1;i<=j;i++) putchar(' '); printf("---------\n"); putchar('\n'); for (i = 1; i <= sites; i += 60) { l = i + 59; if (l > sites) l = sites; if (userweights) { printf("Weights "); for (j = 11; j <= nmlngth+3; j++) putchar(' '); for (k = i; k <= l; k++) { putchar(itobase36(weight[k])); if (((k % 10) == 0) && ((k % 60) != 0)) putchar(' '); } putchar('\n'); } for (j = 1; j <= numsp; j++) { printf("%s ", tr->nodep[j]->name); for (k = i; k <= l; k++) { ch = y[j][k]; if ((j > 1) && (ch == y[1][k])) ch = '.'; putchar(ch); if (((k % 10) == 0) && ((k % 60) != 0)) putchar(' '); } putchar('\n'); } putchar('\n'); } } /* Convert characters to meanings */ for (i = 1; i <= sites; i++) info[i] = 0; for (j = 1; j <= numsp; j++) { for (i = 1; i <= sites; i++) { if ((y[j][i] = meaning[(int)y[j][i]]) != 15) info[i]++; } } for (i = 1; i <= sites; i++) if (info[i] < MIN_INFO) weight[i] = 0; } /* getdata */ void sitesort () /* Shell sort keeping sites, weights in same order */ { /* sitesort */ int gap, i, j, jj, jg, k; boolean flip, tied; for (gap = sites/2; gap > 0; gap /= 2) { for (i = gap + 1; i <= sites; i++) { j = i - gap; do { jj = patsite[j]; jg = patsite[j+gap]; flip = FALSE; tied = TRUE; for (k = 1; tied && (k <= numsp); k++) { flip = (y[k][jj] > y[k][jg]); tied = (y[k][jj] == y[k][jg]); } if (flip) { patsite[j] = jg; patsite[j+gap] = jj; j -= gap; } } while (flip && (j > 0)); } } } /* sitesort */ void sitecombcrunch () /* combine sites that have identical patterns (and nonzero weight) */ { /* sitecombcrunch */ int i, sitei, j, sitej, k; boolean tied; i = 0; patsite[0] = patsite[1]; patweight[0] = 0; for (j = 1; j <= sites; j++) { tied = TRUE; sitei = patsite[i]; sitej = patsite[j]; for (k = 1; tied && (k <= numsp); k++) tied = (y[k][sitei] == y[k][sitej]); if (tied) { patweight[i] += weight[sitej]; } else { if (patweight[i] > 0) i++; patweight[i] = weight[sitej]; patsite[i] = sitej; } pattern[sitej] = i; } endsite = i; if (patweight[i] > 0) endsite++; } /* sitecombcrunch */ void makeweights () /* make up weights vector to avoid duplicate computations */ { /* makeweights */ int i; for (i = 1; i <= sites; i++) patsite[i] = i; sitesort(); sitecombcrunch(); if (endsite > maxpatterns) { printf("ERROR: Too many patterns in data\n"); printf(" Increase maxpatterns to at least %d\n", endsite); anerror = TRUE; } else { printf("Analyzing %d distinct data patterns (columns)\n\n", endsite); } } /* makeweights */ void makevalues (tr) tree *tr; /* set up fractional likelihoods at tips */ { /* makevalues */ nodeptr p; int i, j; for (i = 1; i <= numsp; i++) { /* Pack and move tip data */ for (j = 0; j < endsite; j++) y[i-1][j] = y[i][patsite[j]]; p = tr->nodep[i]; p->tip = &(y[i-1][0]); } } /* makevalues */ void empiricalfreqs (tr) tree *tr; /* Get empirical base frequencies from the data */ { /* empiricalfreqs */ double sum, suma, sumc, sumg, sumt, wj, fa, fc, fg, ft; int i, j, k, code; char *yptr; freqa = 0.25; freqc = 0.25; freqg = 0.25; freqt = 0.25; for (k = 1; k <= 8; k++) { suma = 0.0; sumc = 0.0; sumg = 0.0; sumt = 0.0; for (i = 1; i <= numsp; i++) { yptr = tr->nodep[i]->tip; for (j = 0; j < endsite; j++) { code = *yptr++; fa = freqa * ( code & 1); fc = freqc * ((code >> 1) & 1); fg = freqg * ((code >> 2) & 1); ft = freqt * ((code >> 3) & 1); wj = patweight[j] / (fa + fc + fg + ft); suma += wj * fa; sumc += wj * fc; sumg += wj * fg; sumt += wj * ft; } } sum = suma + sumc + sumg + sumt; freqa = suma / sum; freqc = sumc / sum; freqg = sumg / sum; freqt = sumt / sum; } } /* empiricalfreqs */ void getinput (tr) tree *tr; { /* getinput */ getnums(); if (anerror) return; getoptions(); if (anerror) return; if (! freqsfrom) getbasefreqs(); if (anerror) return; getyspace(); if (anerror) return; setuptree(tr, numsp); if (anerror) return; getdata (tr); if (anerror) return; makeweights(); if (anerror) return; makevalues (tr); if (anerror) return; if (freqsfrom) { empiricalfreqs (tr); if (anerror) return; getbasefreqs(); } } /* getinput */ xarray *setupxarray () { /* setupxarray */ xarray *x; xtype *data; x = (xarray *) malloc((unsigned) sizeof(xarray)); if (x) { data = (xtype *) malloc((unsigned) (4 * endsite * sizeof(xtype))); if (data) { x->a = data; x->c = data += endsite; x->g = data += endsite; x->t = data + endsite; x->prev = x->next = x; x->owner = (node *) NULL; } else { free ((char *) x); return (xarray *) NULL; } } return x; } /* setupxarray */ void linkxarray (req, min, freexptr, usedxptr) int req, min; xarray **freexptr, **usedxptr; /* Link a set of xarrays */ { /* linkxarray */ xarray *first, *prev, *x; int i; first = prev = (xarray *) NULL; i = 0; do { x = setupxarray(); if (x) { if (! first) first = x; else { prev->next = x; x->prev = prev; } prev = x; i++; } else { printf("ERROR: Failure to get xarray memory.\n"); if (i < min) anerror = TRUE; } } while ((i < req) && x); if (first) { first->prev = prev; prev->next = first; } *freexptr = first; *usedxptr = (xarray *) NULL; } /* linkxarray */ void setupnodex (tr) tree *tr; { /* setupnodex */ nodeptr p; int i; for (i = tr->mxtips + 1; (i <= 2*(tr->mxtips) - 2) && ! anerror; i++) { p = tr->nodep[i]; if ((anerror = !(p->x = setupxarray()))) break; } } /* setupnodex */ xarray *getxtip (p) nodeptr p; { /* getxtip */ xarray *new; boolean splice; if (! p) return (xarray *) NULL; splice = FALSE; if (p->x) { new = p->x; if (new == new->prev) ; /* linked to self; leave it */ else if (new == usedxtip) usedxtip = usedxtip->next; /* at head */ else if (new == usedxtip->prev) ; /* already at tail */ else { /* move to tail of list */ new->prev->next = new->next; new->next->prev = new->prev; splice = TRUE; } } else if (freextip) { p->x = new = freextip; new->owner = p; if (new->prev != new) { /* not only member of freelist */ new->prev->next = new->next; new->next->prev = new->prev; freextip = new->next; } else freextip = (xarray *) NULL; splice = TRUE; } else if (usedxtip) { usedxtip->owner->x = (xarray *) NULL; p->x = new = usedxtip; new->owner = p; usedxtip = usedxtip->next; } else { printf ("ERROR: Unable to locate memory for a tip.\n"); anerror = TRUE; exit(0); } if (splice) { if (usedxtip) { /* list is not empty */ usedxtip->prev->next = new; new->prev = usedxtip->prev; usedxtip->prev = new; new->next = usedxtip; } else usedxtip = new->prev = new->next = new; } return new; } /* getxtip */ xarray *getxnode (p) nodeptr p; /* Ensure that internal node p has memory */ { /* getxnode */ nodeptr s; if (! (p->x)) { /* Move likelihood array on this node to sector p */ if ((s = p->next)->x || (s = s->next)->x) { p->x = s->x; s->x = (xarray *) NULL; } else { printf("ERROR in getxnode: Unable to locate memory at internal node."); exit(0); } } return p->x; } /* getxnode */ void newview (p) /* Update likelihoods at node */ nodeptr p; { /* newview */ double z1, lz1, xvlz1, z2, lz2, xvlz2, zz1, zv1, fx1r, fx1y, fx1n, suma1, sumg1, sumc1, sumt1, zz2, zv2, fx2r, fx2y, fx2n, ki, tempi, tempj; nodeptr q, r; xtype *x1a, *x1c, *x1g, *x1t, *x2a, *x2c, *x2g, *x2t, *x3a, *x3c, *x3g, *x3t; int i; if (p->tip) { /* Make sure that data are at tip */ int code; char *yptr; if (p->x) return; /* They are already there */ (void) getxtip(p); /* They are not, so get memory */ x3a = &(p->x->a[0]); /* Move tip data to xarray */ x3c = &(p->x->c[0]); x3g = &(p->x->g[0]); x3t = &(p->x->t[0]); yptr = p->tip; for (i = 0; i < endsite; i++) { code = *yptr++; *x3a++ = code & 1; *x3c++ = (code >> 1) & 1; *x3g++ = (code >> 2) & 1; *x3t++ = (code >> 3) & 1; } return; } /* Internal node needs update */ q = p->next->back; r = p->next->next->back; while ((! p->x) || (! q->x) || (! r->x)) { if (! q->x) newview(q); if (! r->x) newview(r); if (! p->x) (void) getxnode(p); } x1a = &(q->x->a[0]); x1c = &(q->x->c[0]); x1g = &(q->x->g[0]); x1t = &(q->x->t[0]); z1 = q->z; lz1 = (z1 > zmin) ? log(z1) : log(zmin); xvlz1 = xv * lz1; x2a = &(r->x->a[0]); x2c = &(r->x->c[0]); x2g = &(r->x->g[0]); x2t = &(r->x->t[0]); z2 = r->z; lz2 = (z2 > zmin) ? log(z2) : log(zmin); xvlz2 = xv * lz2; x3a = &(p->x->a[0]); x3c = &(p->x->c[0]); x3g = &(p->x->g[0]); x3t = &(p->x->t[0]); { double *rptr; rptr = &(patrate[0]); for (i = 0; i < endsite; i++) { ki = *rptr++; zz1 = exp(ki * lz1); zv1 = exp(ki * xvlz1); fx1r = freqa * *x1a + freqg * *x1g; fx1y = freqc * *x1c + freqt * *x1t; fx1n = fx1r + fx1y; tempi = fx1r * invfreqr; tempj = zv1 * (tempi-fx1n) + fx1n; suma1 = zz1 * (*x1a++ - tempi) + tempj; sumg1 = zz1 * (*x1g++ - tempi) + tempj; tempi = fx1y * invfreqy; tempj = zv1 * (tempi-fx1n) + fx1n; sumc1 = zz1 * (*x1c++ - tempi) + tempj; sumt1 = zz1 * (*x1t++ - tempi) + tempj; zz2 = exp(ki * lz2); zv2 = exp(ki * xvlz2); fx2r = freqa * *x2a + freqg * *x2g; fx2y = freqc * *x2c + freqt * *x2t; fx2n = fx2r + fx2y; tempi = fx2r * invfreqr; tempj = zv2 * (tempi-fx2n) + fx2n; *x3a++ = suma1 * (zz2 * (*x2a++ - tempi) + tempj); *x3g++ = sumg1 * (zz2 * (*x2g++ - tempi) + tempj); tempi = fx2y * invfreqy; tempj = zv2 * (tempi-fx2n) + fx2n; *x3c++ = sumc1 * (zz2 * (*x2c++ - tempi) + tempj); *x3t++ = sumt1 * (zz2 * (*x2t++ - tempi) + tempj); } } } /* newview */ void hookup (p, q, z) nodeptr p, q; double z; { /* hookup */ p->back = q; q->back = p; p->z = q->z = z; } /* hookup */ void initrav (p) nodeptr p; { /* initrav */ if (! p->tip) { initrav(p->next->back); initrav(p->next->next->back); newview(p); } } /* initrav */ /*=======================================================================*/ /* Read a tree from a file */ /*=======================================================================*/ int treeFinishCom () { /* treeFinishCom */ int ch; boolean inquote; inquote = FALSE; while ((ch = getc(INFILE)) != EOF && (inquote || ch != ']')) { if (ch == '[' && ! inquote) { /* comment; find its end */ if ((ch = treeFinishCom()) == EOF) break; } else if (ch == '\'') inquote = ! inquote; /* start or end of quote */ } return ch; } /* treeFinishCom */ int treeGetCh () /* get next nonblank, noncomment character */ { /* treeGetCh */ int ch; while ((ch = getc(INFILE)) != EOF) { if (white(ch)) ; else if (ch == '[') { /* comment; find its end */ if ((ch = treeFinishCom()) == EOF) break; } else break; } return ch; } /* treeGetCh */ void treeFlushLabel() { int ch; boolean done; if ((ch = treeGetCh()) == EOF) return; done = (ch == ':' || ch == ',' || ch == ')' || ch == '[' || ch == ';'); if (!done) { boolean quoted = (ch == '\''); if (quoted) ch = getc(INFILE); while (! done) { if (quoted) { if ((ch = findch('\'')) == EOF) return; /* find close quote */ ch = getc(INFILE); /* check next char */ if (ch != '\'') done = TRUE; /* not doubled quote */ } else if (ch == ':' || ch == ',' || ch == ')' || ch == '[' || ch == ';' || ch == '\n' || ch == EOF) { done = TRUE; } if (! done) done = ((ch = getc(INFILE)) == EOF); } } if (ch != EOF) (void) ungetc(ch, INFILE); } /* treeFlushLabel */ int findTipName (tr, ch) tree *tr; int ch; { /* findTipName */ nodeptr q; char *nameptr, str[nmlngth+1]; int i, n; boolean found, quoted, done; if ((quoted = (ch == '\''))) ch = getc(INFILE); done = FALSE; i = 0; do { if (quoted) { if (ch == '\'') { ch = getc(INFILE); if (ch != '\'') done = TRUE; } else if (ch == EOF) done = TRUE; else if (ch == '\n' || ch == '\t') ch = ' '; } else if (ch == ':' || ch == ',' || ch == ')' || ch == '[' || ch == '\n' || ch == EOF) done = TRUE; else if (ch == '_' || ch == '\t') ch = ' '; if (! done) { if (i < nmlngth) str[i++] = ch; ch = getc(INFILE); } } while (! done); if (ch == EOF) { printf("ERROR: End-of-file in tree species name\n"); return 0; } (void) ungetc(ch, INFILE); while (i < nmlngth) str[i++] = ' '; /* Pad name */ n = 1; do { q = tr->nodep[n]; if (! (q->back)) { /* Only consider unused tips */ i = 0; nameptr = q->name; do {found = str[i] == *nameptr++;} while (found && (++i < nmlngth)); } else found = FALSE; } while ((! found) && (++n <= tr->mxtips)); if (! found) { i = nmlngth; do {str[i] = '\0';} while (i-- && (str[i] <= ' ')); printf("ERROR: Cannot find data for tree species: %s\n", str); } return (found ? n : 0); } /* findTipName */ double processLength () { /* processLength */ double branch; int ch; char string[41]; ch = treeGetCh(); /* Skip comments */ if (ch != EOF) (void) ungetc(ch, INFILE); if (fscanf(INFILE, "%lf", &branch) != 1) { printf("ERROR: Problem reading branch length in processLength:\n"); if (fscanf(INFILE, "%40s", string) == 1) printf("%s\n", string); anerror = TRUE; branch = 0.0; } return branch; } /* processLength */ void treeFlushLen () { /* treeFlushLen */ int ch; if ((ch = treeGetCh()) == ':') (void) processLength(); else if (ch != EOF) (void) ungetc(ch, INFILE); } /* treeFlushLen */ void treeNeedCh (c1, where) int c1; char *where; { /* treeNeedCh */ int c2, i; if ((c2 = treeGetCh()) == c1) return; /* assert(c2 == c1); */ /* stop here with debugger */ printf("ERROR: Missing '%c' %s tree; ", c1, where); if (c2 == EOF) printf("End-of-File"); else { putchar('\''); for (i = 24; i-- && (c2 != EOF); c2 = getc(INFILE)) putchar(c2); putchar('\''); } printf(" found instead\n"); anerror = TRUE; } /* treeNeedCh */ void addElementLen (tr, p) tree *tr; nodeptr p; { /* addElementLen */ double z, branch; nodeptr q; int n, ch; if ((ch = treeGetCh()) == '(') { /* A new internal node */ n = (tr->nextnode)++; if (n > 2*(tr->mxtips) - 2) { if (tr->rooted || n > 2*(tr->mxtips) - 1) { printf("ERROR: Too many internal nodes. Is tree rooted?\n"); printf(" Deepest splitting should be a trifurcation.\n"); anerror = TRUE; return; } else { tr->rooted = TRUE; } } q = tr->nodep[n]; assert(q); addElementLen(tr, q->next); if (anerror) return; treeNeedCh(',', "in"); if (anerror) return; assert(q->next); addElementLen(tr, q->next->next); if (anerror) return; treeNeedCh(')', "in"); if (anerror) return; treeFlushLabel(); if (anerror) return; } else { /* A new tip */ n = findTipName(tr, ch); if (n <= 0) {anerror = TRUE; return; } q = tr->nodep[n]; if (tr->start->number > n) tr->start = q; (tr->ntips)++; } /* End of tip processing */ treeNeedCh(':', "in"); if (anerror) return; branch = processLength(); if (anerror) return; z = exp(-branch / fracchange); if (z > zmax) z = zmax; hookup(p, q, z); } /* addElementLen */ void uprootTree (tr, p) tree *tr; nodeptr p; { /* uprootTree */ nodeptr q, r, s; int n; if (p->tip || p->back) { printf("ERROR: Unable to uproot tree.\n"); printf(" Inappropriate node marked for removal.\n"); anerror = TRUE; return; } n = --(tr->nextnode); /* last internal node added */ if (n != tr->mxtips + tr->ntips - 1) { printf("ERROR: Unable to uproot tree. Inconsistent\n"); printf(" number of tips and nodes for rooted tree.\n"); anerror = TRUE; return; } q = p->next->back; /* remove p from tree */ r = p->next->next->back; hookup(q, r, q->z * r->z); q = tr->nodep[n]; r = q->next; s = q->next->next; if (tr->ntips > 2 && p != q && p != r && p != s) { hookup(p, q->back, q->z); /* move connections to p */ hookup(p->next, r->back, r->z); hookup(p->next->next, s->back, s->z); } q->back = r->back = s->back = (nodeptr) NULL; tr->rooted = FALSE; } /* uprootTree */ void treeReadLen (tr) tree *tr; { /* treeReadLen */ nodeptr p; int i, ch; for (i = 1; i <= tr->mxtips; i++) tr->nodep[i]->back = (node *) NULL; tr->start = tr->nodep[tr->mxtips]; tr->ntips = 0; tr->nextnode = tr->mxtips + 1; tr->opt_level = 0; tr->smoothed = FALSE; tr->rooted = FALSE; p = tr->nodep[(tr->nextnode)++]; treeNeedCh('(', "at start of"); if (anerror) return; addElementLen(tr, p); if (anerror) return; treeNeedCh(',', "in"); if (anerror) return; addElementLen(tr, p->next); if (anerror) return; if (! tr->rooted) { if ((ch = treeGetCh()) == ',') { /* An unrooted format */ addElementLen(tr, p->next->next); if (anerror) return; } else { /* A rooted format */ p->next->next->back = (nodeptr) NULL; tr->rooted = TRUE; if (ch != EOF) (void) ungetc(ch, INFILE); } } treeNeedCh(')', "in"); if (anerror) { printf("(This error also happens if the last species in the tree is unmarked)\n"); return; } treeFlushLabel(); if (anerror) return; treeFlushLen(); if (anerror) return; treeNeedCh(';', "at end of"); if (anerror) return; if (tr->rooted) uprootTree(tr, p->next->next); if (anerror) return; tr->start = p->next->next->back; /* This is start used by treeString */ initrav(tr->start); initrav(tr->start->back); } /* treeReadLen */ /*=======================================================================*/ /* End of Tree Reading */ /*=======================================================================*/ double evaluate (tr, p) tree *tr; nodeptr p; { /* evaluate */ double sum, z, lz, xvlz, ki, zz, zv, fx1a, fx1c, fx1g, fx1t, fx1r, fx1y, fx2r, fx2y, suma, sumb, sumc, term; double *log_f, *rptr; xtype *x1a, *x1c, *x1g, *x1t, *x2a, *x2c, *x2g, *x2t; nodeptr q; int i, *wptr; q = p->back; while ((! p->x) || (! q->x)) { if (! (p->x)) newview(p); if (! (q->x)) newview(q); } x1a = &(p->x->a[0]); x1c = &(p->x->c[0]); x1g = &(p->x->g[0]); x1t = &(p->x->t[0]); x2a = &(q->x->a[0]); x2c = &(q->x->c[0]); x2g = &(q->x->g[0]); x2t = &(q->x->t[0]); z = p->z; if (z < zmin) z = zmin; lz = log(z); xvlz = xv * lz; wptr = &(patweight[0]); rptr = &(patrate[0]); log_f = tr->log_f; sum = 0.0; for (i = 0; i < endsite; i++) { fx1a = freqa * *x1a++; fx1g = freqg * *x1g++; fx1c = freqc * *x1c++; fx1t = freqt * *x1t++; suma = fx1a * *x2a + fx1c * *x2c + fx1g * *x2g + fx1t * *x2t; fx2r = freqa * *x2a++ + freqg * *x2g++; fx2y = freqc * *x2c++ + freqt * *x2t++; fx1r = fx1a + fx1g; fx1y = fx1c + fx1t; sumc = (fx1r + fx1y) * (fx2r + fx2y); sumb = fx1r * fx2r * invfreqr + fx1y * fx2y * invfreqy; suma -= sumb; sumb -= sumc; ki = *rptr++; zz = exp(ki * lz); zv = exp(ki * xvlz); term = log(zz * suma + zv * sumb + sumc); sum += *wptr++ * term; *log_f++ = term; } tr->likelihood = sum; return sum; } /* evaluate */ void dli_dki (p) /* d(Li)/d(ki) */ nodeptr p; { /* dli_dki */ double z, lz, xvlz; double ki, fx1a, fx1c, fx1g, fx1t, fx1r, fx1y, fx2r, fx2y, suma, sumb, sumc; double *rptr; xtype *x1a, *x1c, *x1g, *x1t, *x2a, *x2c, *x2g, *x2t; nodeptr q; int i, *wptr; q = p->back; while ((! p->x) || (! q->x)) { if (! p->x) newview(p); if (! q->x) newview(q); } x1a = &(p->x->a[0]); x1c = &(p->x->c[0]); x1g = &(p->x->g[0]); x1t = &(p->x->t[0]); x2a = &(q->x->a[0]); x2c = &(q->x->c[0]); x2g = &(q->x->g[0]); x2t = &(q->x->t[0]); z = p->z; if (z < zmin) z = zmin; lz = log(z); xvlz = xv * lz; rptr = &(patrate[0]); wptr = &(patweight[0]); for (i = 0; i < endsite; i++) { fx1a = freqa * *x1a++; fx1g = freqg * *x1g++; fx1c = freqc * *x1c++; fx1t = freqt * *x1t++; suma = fx1a * *x2a + fx1c * *x2c + fx1g * *x2g + fx1t * *x2t; fx2r = freqa * *x2a++ + freqg * *x2g++; fx2y = freqc * *x2c++ + freqt * *x2t++; fx1r = fx1a + fx1g; fx1y = fx1c + fx1t; sumc = (fx1r + fx1y) * (fx2r + fx2y); sumb = fx1r * fx2r * invfreqr + fx1y * fx2y * invfreqy; suma -= sumb; sumb -= sumc; ki = *rptr++; suma *= exp(ki * lz); sumb *= exp(ki * xvlz); dLidki[i] += *wptr++ * lz * (suma + sumb*xv); } } /* dli_dki */ void spanSubtree (p) nodeptr p; { /* spanSubtree */ dli_dki (p); if (! p->tip) { spanSubtree(p->next->back); spanSubtree(p->next->next->back); } } /* spanSubtree */ void findSiteRates (tr, ki_min, ki_max, d_ki, max_error) tree *tr; double ki_min, ki_max, d_ki, max_error; { /* findSiteRates */ double inv_d_ki, ki; int i; if (ki_min <= 0.0 || ki_max <= ki_min) { printf("ERROR: Bad rate value limits to findSiteRates\n"); anerror = TRUE; return; } else if (d_ki <= 1.0) { printf("ERROR: Bad rate step to findSiteRates\n"); anerror = TRUE; return; } for (i = 0; i < endsite; i++) { bestki[i] = 1.0; /* dummy initial rates */ bestLi[i] = unlikely; } for (ki = ki_min; ki <= ki_max; ki *= d_ki) { for (i = 0; i < endsite; i++) patrate[i] = ki; initrav(tr->start); initrav(tr->start->back); (void) evaluate(tr, tr->start->back); for (i = 0; i < endsite; i++) { if (tr->log_f[i] > bestLi[i]) { bestki[i] = ki; bestLi[i] = tr->log_f[i]; } } } for (i = 0; i < endsite; i++) patrate[i] = bestki[i]; initrav(tr->start); initrav(tr->start->back); while (d_ki > 1.0 + max_error) { for (i = 0; i < endsite; i++) dLidki[i] = 0.0; spanSubtree(tr->start->back); if (! tr->start->tip) { spanSubtree(tr->start->next->back); spanSubtree(tr->start->next->next->back); } d_ki = sqrt(d_ki); inv_d_ki = 1.0/d_ki; for (i = 0; i < endsite; i++) { if (dLidki[i] > 0.0) { patrate[i] *= d_ki; if (patrate[i] > ki_max) patrate[i] = ki_max; } else { patrate[i] *= inv_d_ki; if (patrate[i] < ki_min) patrate[i] = ki_min; } } initrav(tr->start); initrav(tr->start->back); } } /* findSiteRates */ double subtreeLength (p) nodeptr p; { /* subtreeLength */ double sum; sum = -fracchange * log(p->z); if (! p->tip) { sum += subtreeLength(p->next->back); sum += subtreeLength(p->next->next->back); } return sum; } /* subtreeLength */ double treeLength(tr) tree *tr; { /* treeLength */ double sum; sum = subtreeLength(tr->start->back); if (! tr->start->tip) { sum += subtreeLength(tr->start->next->back); sum += subtreeLength(tr->start->next->next->back); } return sum; } /* treeLength */ void categorize (Sites, Categs, Weight, Pattern, Patrate, categrate, sitecateg) int Sites; int Categs; int Weight[]; /* one based */ int Pattern[]; /* one based */ double Patrate[]; /* zero based */ double categrate[]; /* zero based */ int sitecateg[]; /* one based */ { /* categorize */ double ki, min_1, min_2, max_1, max_2, a, b; int i, k; min_1 = 1.0E37; min_2 = 1.0E37; max_1 = 0.0; max_2 = 0.0; for (i = 1; i <= Sites; i++) { if (Weight[i] > 0) { ki = Patrate[Pattern[i]]; if (ki < min_2) { if (ki < min_1) { if (ki < 0.995 * min_1) min_2 = min_1; min_1 = ki; } else if (ki > 1.005 * min_1) { min_2 = ki; } } else if (ki > max_2) { if (ki > max_1) { if (ki > 1.005 * max_1) max_2 = max_1; max_1 = ki; } else if (ki < 0.995 * max_1) { max_2 = ki; } } } } a = (Categs - 3.0)/log(max_2/min_2); b = - a * log(min_2) + 2.0; categrate[0] = min_1; for (k = 1; k <= Categs-2; k++) categrate[k] = min_2 * exp((k-1)/a); categrate[Categs-1] = max_1; for (i = 1; i <= Sites; i++) { if (Weight[i] > 0) { ki = Patrate[Pattern[i]]; if (ki < 0.99 * min_2) sitecateg[i] = 1; else if (ki > 1.00 * max_2) sitecateg[i] = Categs; else sitecateg[i] = nint(a * log(Patrate[Pattern[i]]) + b); } else sitecateg[i] = Categs; } } /* categorize */ char *arb_filter; char *alignment_name; GBDATA *gb_main; /** Get the calling filter, needed to expand weights afterwards */ void getArbFilter(){ GB_begin_transaction(gb_main); arb_filter = GBT_read_string(gb_main,AWAR_GDE_EXPORT_FILTER); alignment_name = GBT_get_default_alignment(gb_main); GB_commit_transaction(gb_main); } void writeToArb(){ char sai_name[1024]; char type_info[1024]; char category_string[1024]; char *p; long ali_len; int i,k; int ali_pos; float *rates; /* rates to export */ char *cats; /* categories */ GBDATA *gb_sai; GBDATA *gb_data; GB_begin_transaction(gb_main); /* First create new SAI */ sprintf(sai_name, "POS_VAR_BY_ML_%i",getpid()); printf("Writing '%s'\n", sai_name); ali_len = GBT_get_alignment_len(gb_main,alignment_name); cats = (char *)GB_calloc(ali_len,sizeof(char)); rates = (float *)GB_calloc(ali_len,sizeof(float)); /* fill in rates and categories */ { double categrate[maxcategories]; /* rate of a given category */ int sitecateg[maxsites+1]; /* category of a given site */ categorize(sites, categs, weight, pattern, patrate,categrate, sitecateg); i = 1; /* thanks to pascal */ for ( ali_pos = 0; ali_pos < ali_len; ali_pos++){ if (arb_filter[ali_pos] == '0'){ cats[ali_pos] = '.'; rates[ali_pos] = KI_MAX; continue; /* filter says not written */ } if (weight[i] > 0) { rates[ali_pos] = patrate[pattern[i]]; cats[ali_pos] = itobase36(categs - sitecateg[i]); }else{ rates[i] = KI_MAX; /* infinite rate */ cats[ali_pos] = '.'; } i++; } /* write categories */ p = category_string; p[0] = 0; /* if no categs */ for (k = 1; k <= categs; k ++) { sprintf(p," %G", categrate[categs-k]); p += strlen(p); } } sprintf(type_info, "PVML: Positional Variability by ML (Olsen)"); gb_sai = GBT_find_or_create_SAI(gb_main,sai_name); if (!gb_sai){ GB_print_error(); }else{ gb_data = GBT_add_data(gb_sai, alignment_name, "rates", GB_FLOATS); GB_write_floats(gb_data, rates,ali_len); gb_data = GBT_add_data(gb_sai, alignment_name, "data", GB_STRING); GB_write_string(gb_data, cats); gb_data = GBT_add_data(gb_sai, alignment_name, "_CATEGORIES", GB_STRING); GB_write_string(gb_data,category_string); gb_data = GBT_add_data(gb_sai, alignment_name, "_TYPE", GB_STRING); GB_write_string(gb_data, type_info); } GB_commit_transaction(gb_main); } void openArb(){ gb_main = GB_open(":","rw"); if (!gb_main){ GB_warning("Cannot find ARB server"); exit(-1);; } } void closeArb(){ GB_close(gb_main); } void wrfile (outfile, Sites, Categs, Weight, categrate, sitecateg) FILE *outfile; int Sites; int Categs; int Weight[]; /* one based */ double categrate[]; /* zero based */ int sitecateg[]; /* one based */ { /* wrfile */ int i, k, l; for (k = 1; k <= Sites; k += 60) { l = k + 59; if (l > Sites) l = Sites; fprintf(outfile, "%s ", k == 1 ? "Weights " : " "); for (i = k; i <= l; i++) { putc(itobase36(Weight[i]), outfile); if (((i % 10) == 0) && ((i % 60) != 0)) putc(' ', outfile); } putc('\n', outfile); } for (k = 1; k <= Categs; k += 7) { l = k + 6; if (l > Categs) l = Categs; if (k == 1) fprintf(outfile, "C %2d", Categs); else fprintf(outfile, " "); for (i = k-1; i < l; i++) fprintf(outfile, " %9.5f", categrate[i]); putc('\n', outfile); } for (k = 1; k <= Sites; k += 60) { l = k + 59; if (l > Sites) l = Sites; fprintf(outfile, "%s ", k == 1 ? "Categories" : " "); for (i = k; i <= l; i++) { putc(itobase36(sitecateg[i]), outfile); if (((i % 10) == 0) && ((i % 60) != 0)) putc(' ', outfile); } putc('\n', outfile); } } /* wrfile */ void summarize (treenum) int treenum; { /* summarize */ int i; printf(" Site Rate\n"); printf(" ---- ---------\n"); for (i = 1; i <= sites; i++) { if (weight[i] > 0) { printf("%6d %11.4f\n", i, patrate[pattern[i]]); } else printf("%6d Undefined\n", i); } putchar('\n'); if (categs > 1) { double categrate[maxcategories]; /* rate of a given category */ int sitecateg[maxsites+1]; /* category of a given site */ categorize(sites, categs, weight, pattern, patrate,categrate, sitecateg); wrfile(stdout, sites, categs, weight, categrate, sitecateg); putchar('\n'); if (writefile) { char filename[512]; FILE *outfile; if (treenum <= 0) (void) sprintf(filename, "%s.%d", "weight_rate", getpid()); else (void) sprintf(filename, "%s_%2d.%d", "weight_rate", treenum, getpid()); outfile = fopen(filename, "w"); if (outfile) { wrfile(outfile, sites, categs, weight, categrate, sitecateg); (void) fclose(outfile); printf("Weights and categories also writen to %s\n\n", filename); } } } } /* summarize */ void makeUserRates (tr) tree *tr; { /* makeUserRates */ double tree_length; int numtrees, which, i; if (fscanf(INFILE, "%d", &numtrees) != 1 || findch('\n') == EOF) { printf("ERROR: Problem reading number of user trees\n"); anerror = TRUE; return; } printf("User-defined %s:\n\n", (numtrees == 1) ? "tree" : "trees"); for (which = 1; which <= numtrees; which++) { for (i = 0; i < endsite; i++) patrate[i] = 1.0; treeReadLen(tr); if (anerror) break; tree_length = treeLength(tr); printf("%d taxon user-supplied tree read\n\n", tr->ntips); printf("Total length of tree branches = %8.6f\n\n", tree_length); findSiteRates(tr, 0.5/tree_length, KI_MAX, RATE_STEP, MAX_ERROR); if (anerror) break; summarize(numtrees == 1 ? 0 : which); if (anerror) break; } } /* makeUserRates */ int main () { /* Maximum Likelihood Site Rate */ tree curtree, *tr; # if DebugData debug = fopen("ml_rates.debug","w"); # endif # if ! UseStdin fp = fopen("infile", "rt"); # endif #if defined(DEBUG) { int i; for (i = 0; i<(2*maxsp-1); ++i) { curtree.nodep[i] = 0; } } #endif /* DEBUG */ openArb(); getArbFilter(); tr = & curtree; getinput(tr); if (anerror) return 1; linkxarray(3, 3, & freextip, & usedxtip); if (anerror) return 1; setupnodex(tr); if (anerror) return 1; makeUserRates(tr); if (anerror) return 1; writeToArb(); closeArb(); freeTree(tr); # if ! UseStdin (void) fclose(fp); # endif # if DebugData fclose(debug); # endif return 0; } /* Maximum Likelihood Site Rate */ ./arbsrc_9167/TOOLS/arb_export_rates.cxx0000644012664100000130000001572111440743001020126 0ustar arb_buildcoders#include #include #include #include #include #include /* Input: SAI name: argv[1] * fastdnaml-args: argv[2]... * ALINAME: AWAR "presets/use" * FILTER: AWAR_GDE_EXPORT_FILTER * * Output: * If SAI + Sequence is found: rates in fastdnaml-format (can be piped into arb_convert_aln) * Otherwise : just forward args * * If flag '-r' is used, weights are always printed. If no SAI given, every alignment-column * is given the same weight (1). */ #define CATSCALE 0.71 // downscale factor for rates #define MIO 1000000 // factor to scale rate-values to integers (for RAxML) int main(int argc, char **argv){ argc--;argv++; if (argc<1 || strcmp(argv[0],"--help") == 0) { fprintf(stderr, "\n" "arb_export_rates: Add a line to phylip format which can be used by fastdnaml for rates\n" "syntax: arb_export_rates [SAI_NAME|'--none'] [other_fastdnaml_args]*\n" "if other_fastdnaml_args are given they are inserted to the output\n" "\n" "or\n" "\n" "arb_export_rates: Write a weightsfile for RAxML\n" "syntax: arb_export_rates -r [SAI_NAME|'--none']\n" "\n" ); return EXIT_FAILURE; } bool RAxML_mode = false; if (argc >= 2) { if (strcmp(argv[0], "-r") == 0) { RAxML_mode = true; argc--;argv++; } } GBDATA *gb_main = GBT_open(":","r",0); if (!gb_main){ GB_print_error(); return EXIT_FAILURE; } char *SAI_name = argv[0]; argc--;argv++; { char *seq = 0; char *filter = 0; int seq_len = 0; int filter_len = 0; long ali_len = 0; { GB_transaction ta(gb_main); GBDATA *gb_sai = 0; GBDATA *gb_data = 0; char *ali_name = GBT_get_default_alignment(gb_main); ali_len = GBT_get_alignment_len(gb_main, ali_name); filter = GBT_read_string(gb_main,AWAR_GDE_EXPORT_FILTER); filter_len = strlen(filter); if (SAI_name[0] != 0 || strcmp(SAI_name, "--none") != 0) { gb_sai = GBT_find_SAI(gb_main,SAI_name); if (gb_sai) { gb_data = GBT_read_sequence(gb_sai,ali_name); if (gb_data) { seq = GB_read_string(gb_data); seq_len = strlen(seq); } } } free(ali_name); } if (!RAxML_mode) { #define APPEARS_IN_HEADER(c) (strchr(not_in_header, (c)) == 0) const char *not_in_header = "Y"; // these flags don't appear in header and they should be written directly after header { char *firstline = strdup(""); for (int arg = 0; argfilter_len || filter[i] != '0') { int c = seq[i]; arb_assert(c != '0'); // only 35 cats (1-9 and A-Z) if ( (c < '0' || c>'9' ) && (c < 'A' || c>'Z')) c = '1'; putchar(c); } } for (; i unique weights seq = (char*)malloc(ali_len+1); memset(seq, '1', ali_len); seq[ali_len] = 0; seq_len = ali_len; freedup(weight[int('1')], " 1"); } for (i=0; ifilter_len || filter[i] != '0') { int c = seq[i]; if ( (c < '0' || c>'9' ) && (c < 'A' || c>'Z')) c = '1'; fputs(weight[c], stdout); if (++cnt>30) { fputc('\n', stdout); cnt = 0; } } } for (; ifilter_len || filter[i] != '0') { fputs(weight[int('1')], stdout); if (++cnt>30) { fputc('\n', stdout); cnt = 0; } } } for (i = 0; i <= 'Z'; i++) free(weight[i]); fputc('\n', stdout); } free(filter); free(seq); } GB_close(gb_main); return EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/arb_export_tree.cxx0000644012664100000130000000527311440743001017750 0ustar arb_buildcoders#include #include #include /* Input Tree_name argv[1] * Output(stdout) one line tree * */ int main(int argc, char **argv){ int exitcode = EXIT_SUCCESS; if (argc < 2) { fprintf(stderr, "\narb_export_tree - exports tree from running ARB to stdout\n" "syntax: arb_export_tree [--bifurcated] TREE_NAME\n" " --bifurcated write a bifurcated tree (default is a trifurcated tree)\n" " --nobranchlens do not write branchlengths\n" " --doublequotes use doublequotes (default is singlequotes)\n" "\n" "Note: If TREE_NAME is '\?\?\?\?' or '' an empty tree is written."); exitcode = EXIT_FAILURE; } else { GB_ERROR error = 0; GBDATA *gb_main = GBT_open(":","r",0); if (!gb_main){ error = GB_await_error(); exitcode = EXIT_FAILURE; } else { bool trifurcated = true; bool branchlens = true; bool doublequotes = false; const char *tree_name = 0; for (int a = 1; a < argc; a++) { if (strcmp(argv[a], "--bifurcated") == 0) trifurcated = false; else if (strcmp(argv[a], "--nobranchlens") == 0) branchlens = false; else if (strcmp(argv[a], "--doublequotes") == 0) doublequotes = true; else tree_name = argv[a]; } if (!tree_name) error = "Missing argument TREE_NAME"; else { GB_transaction dummy(gb_main); GBT_TREE *tree = GBT_read_tree(gb_main,tree_name, - sizeof(GBT_TREE)); if (tree) { error = TREE_export_tree(gb_main, stdout, tree, trifurcated, branchlens, doublequotes); } else { if (tree_name[0] && strcmp(tree_name, "????") != 0) // ignore tree names '????' and '' (no error, just export empty tree) { char *err = GBS_global_string_copy("arb_export_tree: Tree '%s' does not exist in DB\n", tree_name); GBT_message(gb_main, err); free(err); } else { error = GB_await_error(); } } printf(";\n"); // aka empty tree } GB_close(gb_main); } if (error) { fprintf(stderr, "\narb_export_tree: Error: %s\n", error); } } return exitcode; } ./arbsrc_9167/TOOLS/arb_gene_probe.cxx0000644012664100000130000005234611440743001017520 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #define gp_assert(cond) arb_assert(cond) using namespace std; #if defined(DEBUG) // #define CREATE_DEBUG_FILES // #define DUMP_OVERLAP_CALC #endif // DEBUG // -------------------------------------------------------------------------------- static int gene_counter = 0; // pre-incremented counters static int splitted_gene_counter = 0; static int intergene_counter = 0; static map names; // -------------------------------------------------------------------------------- struct PositionPair { int begin; // these positions are in range [0 .. genome_length-1] int end; static int genome_length; #if defined(DEBUG) void check_legal() const { gp_assert(begin >= 0); gp_assert(begin <= end); gp_assert(end < genome_length); } #endif // DEBUG PositionPair() : begin(-1), end(-1) {} PositionPair(int begin_, int end_) : begin(begin_), end(end_) { #if defined(DEBUG) check_legal(); #endif // DEBUG } int length() const { return end-begin+1; } bool overlapsWith(const PositionPair& other) const { #if defined(DEBUG) check_legal(); other.check_legal(); #endif // DEBUG return ! ((end < other.begin) || (other.end < begin)); } #if defined(DUMP_OVERLAP_CALC) void dump(const char *note) const { printf("%s begin=%i end=%i\n", note, begin, end); } #endif // DUMP_OVERLAP_CALC }; int PositionPair::genome_length = 0; typedef list PositionPairList; struct ltNonOverlap { // sorting with this operator identifies all overlapping PositionPair's as "equal" bool operator ()(const PositionPair& p1, const PositionPair& p2) const { return p1.end < p2.begin; } }; class GenePositionMap { typedef set OverlappingGeneSet; OverlappingGeneSet usedRanges; unsigned long overlapSize; unsigned long geneSize; public: GenePositionMap() : overlapSize(0), geneSize(0) {} void announceGene(PositionPair gene); GB_ERROR buildIntergeneList(const PositionPair& wholeGenome, PositionPairList& intergeneList) const; unsigned long getOverlap() const { return overlapSize; } unsigned long getAllGeneSize() const { return geneSize; } #if defined(DUMP_OVERLAP_CALC) void dump() const; #endif // DUMP_OVERLAP_CALC }; // ____________________________________________________________ // start of implementation of class GenePositionMap: void GenePositionMap::announceGene(PositionPair gene) { OverlappingGeneSet::iterator found = usedRanges.find(gene); if (found == usedRanges.end()) { // gene does not overlap with currently known ranges usedRanges.insert(gene); // add to known ranges } else { // 'found' overlaps with 'gene' int gene_length = gene.length(); do { gp_assert(gene.overlapsWith(*found)); gene = PositionPair(min(found->begin, gene.begin), max(found->end, gene.end)); // calc combined range int combined_length = gene.length(); size_t overlap = (found->length()+gene_length)-combined_length; overlapSize += overlap; geneSize += gene_length; usedRanges.erase(found); gene_length = combined_length; found = usedRanges.find(gene); // search for further overlaps } while (found != usedRanges.end()); usedRanges.insert(gene); // insert the combined range } } GB_ERROR GenePositionMap::buildIntergeneList(const PositionPair& wholeGenome, PositionPairList& intergeneList) const { OverlappingGeneSet::iterator end = usedRanges.end(); OverlappingGeneSet::iterator curr = usedRanges.begin(); OverlappingGeneSet::iterator prev = end; if (curr == end) { // nothing defined -> use whole genome as one big intergene intergeneList.push_back(wholeGenome); } else { if (curr->begin > wholeGenome.begin) { // intergene before first gene range ? intergeneList.push_back(PositionPair(wholeGenome.begin, curr->begin-1)); } prev = curr; ++curr; while (curr != end) { if (prev->end < curr->begin) { if (prev->end != (curr->begin-1)) { // not directly adjacent intergeneList.push_back(PositionPair(prev->end+1, curr->begin-1)); } } else { return "Internal error: Overlapping gene ranges"; } prev = curr; ++curr; } if (prev != end && prev->end < wholeGenome.end) { intergeneList.push_back(PositionPair(prev->end+1, wholeGenome.end)); } } return 0; } #if defined(DUMP_OVERLAP_CALC) void GenePositionMap::dump() const { printf("List of ranges used by genes:\n"); for (OverlappingGeneSet::iterator g = usedRanges.begin(); g != usedRanges.end(); ++g) { g->dump("- "); } printf("Overlap: %lu bases\n", getOverlap()); } #endif // DUMP_OVERLAP_CALC // -end- of implementation of class GenePositionMap. static GB_ERROR create_data_entry(GBDATA *gb_species2, const char *sequence, int seqlen) { GB_ERROR error = 0; char *gene_sequence = new char[seqlen+1]; memcpy(gene_sequence, sequence, seqlen); // @@@ FIXME: avoid this copy! gene_sequence[seqlen] = 0; GBDATA *gb_ali = GB_create_container(gb_species2, "ali_ptgene"); if (!gb_ali) error = GB_await_error(); else error = GBT_write_string(gb_ali, "data", gene_sequence); delete [] gene_sequence; return error; } #if defined(DEBUG) void CHECK_SEMI_ESCAPED(const char *name) { // checks whether all ";\\" are escaped while (*name) { gp_assert(*name != ';'); // oops, unescaped ';' if (*name == '\\') ++name; ++name; } } #else #define CHECK_SEMI_ESCAPED(s) #endif // DEBUG static GBDATA *create_gene_species(GBDATA *gb_species_data2, const char *internal_name, const char *long_name, int abspos, const char *sequence, int length) { // Note: 'sequence' is not necessarily 0-terminated! #if defined(DEBUG) const char *firstSem = strchr(long_name, ';'); gp_assert(firstSem); CHECK_SEMI_ESCAPED(firstSem+1); #endif // DEBUG GB_ERROR error = GB_push_transaction(gb_species_data2); GBDATA *gb_species2 = 0; if (!error) { gb_species2 = GB_create_container(gb_species_data2, "species"); if (!gb_species2) error = GB_await_error(); } if (!error) { GBDATA *gb_name = GB_create(gb_species2, "name", GB_STRING); if (!gb_name) error = GB_await_error(); else { error = GB_write_string(gb_name, internal_name); if (!error) { const char *static_internal_name = GB_read_char_pntr(gb_name); // use static copy from db as map-index (internal_name is temporary) error = create_data_entry(gb_species2, sequence, length); if (!error) { names[static_internal_name] = strdup(long_name); error = GBT_write_int(gb_species2, "abspos", abspos); #if defined(DEBUG) // store realname for debugging purposes if (!error) error = GBT_write_string(gb_species2, "realname_debug", long_name); #endif // DEBUG } } } } error = GB_end_transaction(gb_species_data2, error); if (error) { // be more verbose : error = GBS_global_string("%s (internal_name='%s', long_name='%s')", error, internal_name, long_name); GB_export_error(error); gb_species2 = NULL; } return gb_species2; } static GB_ERROR create_genelike_entry(const char *internal_name, GBDATA *gb_species_data2, int start_pos, int end_pos, const char *ali_genome, const char *long_name) { GBDATA *gb_genespecies = create_gene_species(gb_species_data2, internal_name, long_name, start_pos, ali_genome+start_pos, end_pos-start_pos+1); return gb_genespecies ? 0 : GB_await_error(); } static GB_ERROR create_intergene(GBDATA *gb_species_data2, int start_pos, int end_pos, const char *ali_genome, const char *long_gene_name) { if (start_pos <= end_pos) { char internal_name[128]; sprintf(internal_name, "i%x", intergene_counter++); return create_genelike_entry(internal_name, gb_species_data2, start_pos, end_pos, ali_genome, long_gene_name); } return "Illegal inter-gene positions (start behind end)"; } static GB_ERROR create_gene(GBDATA *gb_species_data2, int start_pos, int end_pos, const char *ali_genome, const char *long_gene_name) { if (start_pos <= end_pos) { char internal_name[128]; sprintf(internal_name, "n%x", gene_counter++); return create_genelike_entry(internal_name, gb_species_data2, start_pos, end_pos, ali_genome, long_gene_name); } return "Illegal gene positions (start behind end)"; } static GB_ERROR create_splitted_gene(GBDATA *gb_species_data2, PositionPairList& part_list, const char *ali_genome, const char *long_gene_name) { GB_ERROR error = 0; PositionPairList::iterator list_end = part_list.end(); int gene_size = 0; for (PositionPairList::iterator part = part_list.begin(); part != list_end; ++part) { int part_size = part->end-part->begin+1; gp_assert(part_size > 0); gene_size += part_size; } gp_assert(gene_size > 0); char *gene_sequence = new char[gene_size+1]; int gene_off = 0; char *split_pos_list = 0; // contains split information: 'gene pos of part2,abs pos of part2;gene pos of part3,abs pos of part3;...' for (PositionPairList::iterator part = part_list.begin(); part != list_end; ) { int part_size = part->end-part->begin+1; int genome_pos = part->begin; memcpy(gene_sequence+gene_off, ali_genome+part->begin, part_size); gene_off += part_size; ++part; if (split_pos_list == 0) { // first part split_pos_list = GBS_global_string_copy("%i", gene_off); // gene offset of part 2 } else { // next parts char *next_split_pos_list; if (part != list_end) { // not last next_split_pos_list = GBS_global_string_copy("%s,%i;%i", split_pos_list, genome_pos, gene_off); } else { // last part next_split_pos_list = GBS_global_string_copy("%s,%i", split_pos_list, genome_pos); } freeset(split_pos_list, next_split_pos_list); } } char internal_name[128]; sprintf(internal_name, "s%x", splitted_gene_counter++); const PositionPair& first_part = part_list.front(); GBDATA *gb_species2 = create_gene_species(gb_species_data2, internal_name, long_gene_name, first_part.begin, gene_sequence, first_part.end-first_part.begin+1); if (!gb_species2) error = GB_await_error(); else { #if defined(DEBUG) && 0 printf("splitted gene: long_gene_name='%s' internal_name='%s' split_pos_list='%s'\n", long_gene_name, internal_name, split_pos_list); #endif // DEBUG error = GBT_write_string(gb_species2, "splitpos", split_pos_list); } free(split_pos_list); delete [] gene_sequence; return error; } static GB_ERROR scan_gene_positions(GBDATA *gb_gene, PositionPairList& part_list) { GB_ERROR error = 0; GEN_position *location = GEN_read_position(gb_gene); if (!location) error = GB_await_error(); else { GEN_sortAndMergeLocationParts(location); int parts = location->parts; for (int p = 0; pstart_pos[p]-1, location->stop_pos[p]-1)); } GEN_free_position(location); } return error; } static GB_ERROR insert_genes_of_organism(GBDATA *gb_organism, GBDATA *gb_species_data2) { // insert all genes of 'gb_organism' as pseudo-species // into new 'species_data' (gb_species_data2) GB_ERROR error = 0; const char *organism_name = GBT_read_name(gb_organism); GenePositionMap geneRanges; int gene_counter_old = gene_counter; // used for statistics only (see end of function) int splitted_gene_counter_old = splitted_gene_counter; int intergene_counter_old = intergene_counter; GBDATA *gb_ali_genom = GBT_read_sequence(gb_organism, GENOM_ALIGNMENT); gp_assert(gb_ali_genom); // existance has to be checked by caller! const char *ali_genom = GB_read_char_pntr(gb_ali_genom); if (!ali_genom) error = GB_await_error(); PositionPair::genome_length = GB_read_count(gb_ali_genom); // this affects checks in PositionPair for (GBDATA *gb_gene = GEN_first_gene(gb_organism); gb_gene && !error; gb_gene = GEN_next_gene(gb_gene)) { const char *gene_name = GBT_read_name(gb_gene); PositionPairList part_list; error = scan_gene_positions(gb_gene, part_list); if (!error && part_list.empty()) error = "empty position list"; if (!error) { int split_count = part_list.size(); PositionPair first_part = *part_list.begin(); if (!error) { char *esc_gene_name = GBS_escape_string(gene_name, ";", '\\'); char *long_gene_name = GBS_global_string_copy("%s;%s", organism_name, esc_gene_name); if (split_count == 1) { // normal gene error = create_gene(gb_species_data2, first_part.begin, first_part.end, ali_genom, long_gene_name); geneRanges.announceGene(first_part); } else { // splitted gene error = create_splitted_gene(gb_species_data2, part_list, ali_genom, long_gene_name); for (PositionPairList::iterator p = part_list.begin(); p != part_list.end(); ++p) { geneRanges.announceGene(*p); } } free(long_gene_name); free(esc_gene_name); } } if (error && gene_name) error = GBS_global_string("in gene '%s': %s", gene_name, error); } if (!error) { // add intergenes PositionPairList intergenes; PositionPair wholeGenome(0, PositionPair::genome_length-1); error = geneRanges.buildIntergeneList(wholeGenome, intergenes); for (PositionPairList::iterator i = intergenes.begin(); !error && i != intergenes.end(); ++i) { char *long_intergene_name = GBS_global_string_copy("%s;intergene_%i_%i", organism_name, i->begin, i->end); error = create_intergene(gb_species_data2, i->begin, i->end, ali_genom, long_intergene_name); free(long_intergene_name); } } if (error && organism_name) error = GBS_global_string("in organism '%s': %s", organism_name, error); { int new_genes = gene_counter-gene_counter_old; // only non-splitted genes int new_splitted_genes = splitted_gene_counter-splitted_gene_counter_old; int new_intergenes = intergene_counter-intergene_counter_old; unsigned long genesSize = geneRanges.getAllGeneSize(); unsigned long overlaps = geneRanges.getOverlap(); double data_grow = overlaps/double(PositionPair::genome_length)*100; double gene_overlap = overlaps/double(genesSize)*100; if (new_splitted_genes) { printf(" - %s: %u genes (%u splitted), %u intergenes", organism_name, new_genes+new_splitted_genes, new_splitted_genes, new_intergenes); } else { printf(" - %s: %u genes, %u intergenes", organism_name, new_genes, new_intergenes); } printf(" (data grow: %5.2f%%, gene overlap: %5.2f%%=%lu bp)\n", data_grow, gene_overlap, overlaps); } #if defined(DUMP_OVERLAP_CALC) geneRanges.dump(); #endif // DUMP_OVERLAP_CALC return error; } int main(int argc, char* argv[]) { printf("\n" "arb_gene_probe 1.2 -- (C) 2003/2004 Lehrstuhl fuer Mikrobiologie - TU Muenchen\n" "written by Tom Littschwager, Bernd Spanfelner, Conny Wolf, Ralf Westram.\n"); if (argc != 3) { printf("Usage: arb_gene_probe input_database output_database\n"); printf(" Prepares a genome database for Gene-PT-Server\n"); return EXIT_FAILURE; } const char *inputname = argv[1]; const char *outputname = argv[2]; printf("Converting '%s' -> '%s' ..\n", inputname, outputname); GB_ERROR error = 0; GBDATA *gb_main = GB_open(inputname, "rw"); // rootzeiger wird gesetzt if (!gb_main) { error = GBS_global_string("Database '%s' not found", inputname); } else { GB_request_undo_type(gb_main, GB_UNDO_NONE); // disable arbdb builtin undo GB_begin_transaction(gb_main); GBDATA *gb_species_data = GB_entry(gb_main,"species_data"); GBDATA *gb_species_data_new = GB_create_container(gb_main,"species_data"); // introducing a second 'species_data' container if (!gb_species_data || ! gb_species_data_new) { error = GB_await_error(); } int non_ali_genom_species = 0; int ali_genom_species = 0; for (GBDATA *gb_species = GBT_first_species_rel_species_data(gb_species_data); gb_species && !error; gb_species = GBT_next_species(gb_species)) { GBDATA *gb_ali_genom = GBT_read_sequence(gb_species, GENOM_ALIGNMENT); if (!gb_ali_genom) { // skip species w/o alignment 'GENOM_ALIGNMENT' (genome DBs often contain pseudo species) ++non_ali_genom_species; } else { error = insert_genes_of_organism(gb_species, gb_species_data_new); ++ali_genom_species; } } if (non_ali_genom_species) { printf("%i species had no alignment in '" GENOM_ALIGNMENT "' and have been skipped.\n", non_ali_genom_species); } if (ali_genom_species == 0) { error = "no species with data in alignment '" GENOM_ALIGNMENT "' were found"; } if (!error) { printf("%i species had data in alignment '" GENOM_ALIGNMENT "'.\n" "Found %i genes (%i were splitted) and %i intergene regions.\n", ali_genom_species, gene_counter, splitted_gene_counter, intergene_counter); } if (!error) { error = GB_delete(gb_species_data); // delete first (old) 'species_data' container } if (!error) { // create map-string char* map_string; { map::iterator NameEnd = names.end(); map::iterator NameIter; size_t mapsize = 0; for (NameIter = names.begin(); NameIter != NameEnd; ++NameIter) { mapsize += strlen(NameIter->first)+strlen(NameIter->second)+2; } map_string = new char[mapsize+1]; size_t moff = 0; for (NameIter = names.begin(); NameIter != NameEnd; ++NameIter) { int len1 = strlen(NameIter->first); int len2 = strlen(NameIter->second); memcpy(map_string+moff, NameIter->first, len1); map_string[moff+len1] = ';'; moff += len1+1; memcpy(map_string+moff, NameIter->second, len2); map_string[moff+len2] = ';'; moff += len2+1; } map_string[moff] = 0; gp_assert(moff <= mapsize); } GBDATA *gb_gene_map = GB_create_container(gb_main,"gene_map"); if (!gb_gene_map) error = GB_await_error(); else error = GBT_write_string(gb_gene_map, "map_string", map_string); } if (!error) { // set default alignment for pt_server error = GBT_set_default_alignment(gb_main, "ali_ptgene"); if (!error) { GBDATA *gb_use = GB_search(gb_main,"presets/alignment/alignment_name",GB_STRING); if (!gb_use) error = GB_await_error(); else { GB_push_my_security(gb_main); error = GB_write_string(gb_use,"ali_ptgene"); GB_pop_my_security(gb_main); } } } error = GB_end_transaction(gb_main, error); if (!error) { printf("Saving '%s' ..\n", outputname); error = GB_save_as(gb_main, outputname, "bfm"); if (error) unlink(outputname); } GB_close(gb_main); } if (error) { printf("Error in arb_gene_probe: %s\n", error); return EXIT_FAILURE; } printf("arb_gene_probe done.\n"); return EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/arb_help2xml.cxx0000644012664100000130000000225011440743001017133 0ustar arb_buildcoders// ==================================================================== // // // // File : arb_help2xml.cxx // // Purpose : Converts old ARB help format to XML // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in October 2001 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // // #include "arb_help2xml.h" using namespace std; // ----------------------------------------- // int main(int argc, char *argv[]) // ----------------------------------------- int main() { } ./arbsrc_9167/TOOLS/arb_message.cxx0000644012664100000130000000150211440743001017023 0ustar arb_buildcoders#include #include #include #include #include int main(int argc,char **argv) { if (argc == 1) { fprintf(stderr, "Usage: arb_message \"the message\"\n"); return -1; } const char *progname = argv[0]; if (!progname || progname[0] == 0) { progname = "arb_message"; } char *the_message = strdup(argv[1]); char *unencoded_lf = 0; while ((unencoded_lf = strstr(the_message, "\\n")) != 0) { unencoded_lf[0] = '\n'; strcpy(unencoded_lf+1, unencoded_lf+2); } GBDATA *gb_main = GB_open(":","r"); if (!gb_main){ fprintf(stderr, "%s: %s\n", progname, the_message); } else { GBT_message(gb_main, the_message); GB_close(gb_main); } free(the_message); return 0; } ./arbsrc_9167/TOOLS/arb_notify.cxx0000644012664100000130000000227111440743001016713 0ustar arb_buildcoders#include #include #include #include #include int main(int argc,char **argv) { if (argc == 1) { fprintf(stderr, "Usage: arb_notify ID \"message\"\n"); fprintf(stderr, "Used by ARB itself to report termination of external jobs - see GB_notify()\n"); return -1; } const char *progname = argv[0]; if (!progname || progname[0] == 0) progname = "arb_notify"; GBDATA *gb_main = GB_open(":","r"); if (!gb_main){ fprintf(stderr, "%s: Can't notify (connect to ARB failed)\n", progname); } else { char *the_message = strdup(argv[2]); const char *idstr = argv[1]; int id = atoi(idstr); GB_ERROR error = 0; if (!id) { error = GBS_global_string("Illegal ID '%s'", idstr); } if (!error) { GB_transaction ta(gb_main); error = GB_notify(gb_main, id, the_message); } free(the_message); if (error) { GBT_message(gb_main, GBS_global_string("Error in %s: %s", progname, error)); } GB_close(gb_main); } return 0; } ./arbsrc_9167/TOOLS/arb_perf_test.cxx0000644012664100000130000001164711440743001017405 0ustar arb_buildcoders#include #include #include #include #include #include #include // -------------------------------------------------------------------------------- // data used for tests static GBDATA *gb_species_data = 0; static GBDATA *gb_main = 0; // -------------------------------------------------------------------------------- // Test functions static void iterate(GBDATA *gbd) { for (GBDATA *gb_child = GB_child(gbd); gb_child; gb_child = GB_nextChild(gb_child)) { iterate(gb_child); } } static void test_GB_iterate_DB() { // iterate through all DB elements iterate(gb_main); } static void test_GB_find_string() { GB_find_string(gb_species_data,"full_name","asdfasdf", GB_IGNORE_CASE, down_2_level); } static void test_GB_find_string_indexed() { // field 'name' is indexed by GBT_open! GB_find_string(gb_species_data,"name","asdfasdf", GB_IGNORE_CASE, down_2_level); } // -------------------------------------------------------------------------------- static void noop() { } typedef void (*test_fun)(); struct Test { const char *name; test_fun fun; }; #define TEST(fun ) { #fun, test_##fun } static Test Test[] = { TEST(GB_iterate_DB), TEST(GB_find_string), TEST(GB_find_string_indexed), { NULL, NULL }, }; // -------------------------------------------------------------------------------- static long callDelay(long loops); #define SECOND 1000000 #define WANTED_TIME 5*SECOND // time reserved for each test static long run_test(test_fun fun, long loops, double *perCall) { /* returns time for test 'fun' in microseconds */ struct timeval t1; struct timeval t2; gettimeofday(&t1,0); for (int i = 0; i0) { duration = run_test(fun, loops, &perCall); } } loops = (loops*double(WANTED_TIME))/duration+1; if (loops <= 0) loops = LONG_MAX; // printf("estimate_loops=%li\n", loops); return loops; } static long count_elements(GBDATA *gbd) { long count = 0; for (GBDATA *gb_child = GB_child(gbd); gb_child; gb_child = GB_nextChild(gb_child)) { count += count_elements(gb_child); } return count+1; // self } int main(int argc, char **argv) { GB_ERROR error = 0; if (argc == 0) { fprintf(stderr,"arb_perf_test source.arb\n"); fprintf(stderr,"Test performance of some commands - see source code\n"); error = "Missing arguments"; } else { char *in = argv[1]; gb_main = GBT_open(in,"rw",0); if (!gb_main){ error = GB_await_error(); } else { // init test data { GB_transaction ta(gb_main); gb_species_data = GBT_get_species_data(gb_main); } printf("Loaded DB '%s'\n", in); printf(" * contains %li elements\n", count_elements(gb_main)); printf(" * contains %li species\n", GBT_get_species_count(gb_main)); printf("Running tests:\n"); for (int test = 0; Test[test].name; ++test) { GB_transaction ta(gb_main); double perCall; long esti_loops = estimate_loops(Test[test].fun); long usecs = run_test(Test[test].fun, esti_loops, &perCall); printf("Test #%i: %-25s %10li loops = %10li us (%10.2f us/call, %10.2f calls/sec)\n", test+1, Test[test].name, esti_loops, usecs, perCall, SECOND/perCall); } GB_close(gb_main); } } if (error) { fprintf(stderr, "arb_perf_test: Error: %s\n", error); return EXIT_FAILURE; } return EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/arb_primer.cxx0000644012664100000130000002176411440743001016711 0ustar arb_buildcoders#include #include // #include #include #include #include #define ADD_LEN 10 #define PRM_HASH_SIZE 1024 #define PRM_HASH2_SIZE 512 #define PRM_BUFFERSIZE 256 struct arb_prm_struct { char **alignment_names; int al_len; int max_name; GBDATA *gb_main; char buffer[PRM_BUFFERSIZE]; char *source; int prmanz; int prmlen; int prmsmin; GB_HASH *hash; char **data; int sp_count; int key_cnt; int one_key_cnt; int reduce; FILE *out; char *outname; } aprm; void arb_prm_menu() { char **alignment_name; int i; printf(" Please select an Alignment:\n"); for ( alignment_name = aprm.alignment_names,i=1; *alignment_name; alignment_name++,i++){ printf("%i: %s\n",i,*alignment_name); } aprm.max_name = i; fgets(aprm.buffer, PRM_BUFFERSIZE, stdin); i = atoi(aprm.buffer); if ((i<1) || (i>=aprm.max_name)) { printf ("ERROR: select %i out of range\n",i); exit(-1); } aprm.source = aprm.alignment_names[i-1]; printf( "This module will search for primers for all positions.\n" " The best result is one primer for all (marked) taxa , the worst case\n" " are n primers for n taxa.\n" " Please specify the maximum number of primers:\n" ); fgets(aprm.buffer, PRM_BUFFERSIZE, stdin); i = atoi(aprm.buffer); aprm.prmanz = i; printf( "Select minimum length of a primer, the maximum will be (minimum + %i)\n", ADD_LEN); fgets(aprm.buffer, PRM_BUFFERSIZE, stdin); i = atoi(aprm.buffer); if ((i<4) || (i>30)) { printf ("ERROR: select %i out of range\n",i); exit(-1); } aprm.prmlen = i; printf( "There may be short sequences or/and deletes in full sequences\n" " So a primer normally does not match all sequences\n" " Specify minimum percentage of species (0-100 %%):\n"); fgets(aprm.buffer, PRM_BUFFERSIZE, stdin); i = atoi(aprm.buffer); if ((i<1) || (i>100)) { printf ("ERROR: select %i out of range\n",i); exit(-1); } aprm.prmsmin = i; printf( "Write output to file (enter \"\" to write to screen)\n"); fgets(aprm.buffer, PRM_BUFFERSIZE, stdin); aprm.outname = strdup(aprm.buffer); } char *arb_prm_read(int /*prmanz*/) { GBDATA *gb_presets; GBDATA *gb_source; GBDATA *gb_species; GBDATA *gb_source_data; GBDATA *gb_len; int sp_count; char *data; const char *hdata; gb_presets = GB_entry(aprm.gb_main,"presets"); gb_source = GB_find_string(gb_presets,"alignment_name",aprm.source,GB_IGNORE_CASE,down_2_level); gb_len = GB_brother(gb_source,"alignment_len"); aprm.al_len = GB_read_int(gb_len); sp_count = GBT_count_marked_species(aprm.gb_main); aprm.data = (char **)calloc(sp_count,sizeof(char *)); sp_count = 0; for ( gb_species = GBT_first_marked_species(aprm.gb_main); gb_species; gb_species = GBT_next_marked_species(gb_species) ){ gb_source = GB_entry(gb_species,aprm.source); if (!gb_source) continue; gb_source_data = GB_entry(gb_source,"data"); if (!gb_source_data) continue; data = (char *)calloc(sizeof(char),aprm.al_len+1); hdata = GB_read_char_pntr(gb_source_data); if (!hdata) { GB_print_error(); continue; } aprm.data[sp_count ++] = data; if (sp_count %50 == 0) printf("Reading taxa %i\n",sp_count); { int i,size;char c; size = GB_read_string_count(gb_source_data); for (i=0;i='a') && (c<='z')) data[i] = c-'a'+'A'; else data[i] = c; } for (i=i ; i < aprm.al_len; i++) data[i] = '.'; } } printf("%i taxa read\n",sp_count); aprm.sp_count = sp_count; if (sp_count ==0) { exit(0); } return 0; } long arb_count_keys(const char */*key*/,long val, void *) { if (val >1) { aprm.key_cnt++; }else{ aprm.one_key_cnt++; } return val; } long arb_print_primer(const char *key,long val, void *) { if (val <=1) return val; int gc = 0; const char *p; for (p = key; *p; p++) { if (*p == 'G' || *p== 'C') gc++; } fprintf(aprm.out," %s matching %4li taxa GC = %3i%%\n", key,val,100*gc/(int)strlen(key)); return val; } #define is_base(c) ( ((c>='a') && (c<='z')) || ( (c>='A')&&(c<='Z') ) ) int primer_print(char *dest,char * source,int size) { char c; c = *(source++); if (!is_base(c)) return 1; while (size){ while (!is_base(c)) c=*(source++); if ( c == 'N' || c == 'n' ) return 1; *(dest++) = c; size--; if (!c) return 1; c = 0; } *dest = 0; return 0; } long arb_reduce_primer_len(const char *key,long val, void *) { static char buffer[256]; int size = strlen(key)-aprm.reduce; strncpy(buffer,key,size); buffer[size] = 0; val += GBS_read_hash(aprm.hash,buffer); GBS_write_hash(aprm.hash,buffer,val); return val; } void arb_prm_primer(int /*prmanz*/) { GB_HASH *hash; GB_HASH *mhash; int sp; // int len; char *buffer; int pos; int prmlen; int pspecies; int cutoff_cnt; int *best_primer_cnt; int *best_primer_new; int *best_primer_swap; // int newlen; prmlen = aprm.prmlen + ADD_LEN; buffer = (char *) calloc(sizeof(char), prmlen + 1); best_primer_cnt = (int *)calloc(prmlen+1,sizeof(int)); best_primer_new = (int *)calloc(prmlen+1,sizeof(int)); for (pos = 0; pos < aprm.al_len; pos++) { prmlen = aprm.prmlen + ADD_LEN; mhash = GBS_create_hash(PRM_HASH_SIZE, GB_MIND_CASE); pspecies = 0; if (pos % 50 == 0) printf("Pos. %i (%i)\n",pos,aprm.al_len); cutoff_cnt = aprm.prmanz+1; for (sp = 0; sp < aprm.sp_count; sp++) { /* build initial hash table */ if (!primer_print(buffer, aprm.data[sp] + pos, prmlen)) { GBS_incr_hash(mhash, buffer); pspecies++; } } if (pspecies*100 >= aprm.prmsmin * aprm.sp_count ) { /* reduce primer length */ for (hash = mhash; prmlen >= aprm.prmlen; prmlen-=aprm.reduce) { hash = GBS_create_hash(aprm.prmanz*2, GB_MIND_CASE); aprm.hash = hash; aprm.key_cnt = 0; aprm.one_key_cnt = 0; GBS_hash_do_loop(mhash, arb_count_keys, NULL); if ((aprm.key_cnt + aprm.one_key_cnt < cutoff_cnt) && // (aprm.key_cnt > aprm.one_key_cnt) && (aprm.key_cnt aprm.prmanz*4){ aprm.key_cnt/=4; aprm.reduce++; } GBS_hash_do_loop(mhash,arb_reduce_primer_len, NULL); GBS_free_hash(mhash); mhash = hash; } }else{ for (;prmlen>0;prmlen--) best_primer_new[prmlen] = aprm.prmanz+1; } GBS_free_hash(mhash); best_primer_swap = best_primer_new; best_primer_new = best_primer_cnt; best_primer_cnt = best_primer_swap; mhash = 0; } } int main(int argc, char **/*argv*/) { char *error; const char *path; if (argc != 1) { fprintf(stderr,"no parameters\n"); printf(" Converts RNA or DNA Data to Pro\n"); exit(-1); } path = ":"; aprm.gb_main = GB_open(path,"r"); if (!aprm.gb_main){ fprintf(stderr,"ERROR cannot find server\n"); exit(-1); } GB_begin_transaction(aprm.gb_main); aprm.alignment_names = GBT_get_alignment_names(aprm.gb_main); GB_commit_transaction(aprm.gb_main); arb_prm_menu(); GB_begin_transaction(aprm.gb_main); error = arb_prm_read(aprm.prmanz); if (error) { printf("ERROR: %s\n",error); exit(0); } GB_commit_transaction(aprm.gb_main); if (strlen(aprm.outname)) { aprm.out = fopen(aprm.outname,"w"); if (!aprm.out) { printf("Cannot open outfile\n"); exit (-1); } arb_prm_primer(aprm.prmanz); fclose(aprm.out); }else{ aprm.out = stdout; arb_prm_primer(aprm.prmanz); } return 0; } ./arbsrc_9167/TOOLS/arb_probe.cxx0000644012664100000130000002406011440743001016512 0ustar arb_buildcoders#include #include #include // #include #include #include #include #include #include struct apd_sequence { apd_sequence *next; const char *sequence; }; struct Params{ int DESIGNCPLIPOUTPUT; int SERVERID; const char *DESINGNAMES; int DESIGNPROBELENGTH; const char *DESIGNSEQUENCE; int MINTEMP; int MAXTEMP; int MINGC; int MAXGC; int MAXBOND; int MINPOS; int MAXPOS; int MISHIT; int MINTARGETS; const char *SEQUENCE; int MISMATCHES; int COMPLEMENT; int WEIGHTED; apd_sequence *sequence; } P; struct gl_struct { aisc_com *link; T_PT_LOCS locs; T_PT_MAIN com; int pd_design_id; } pd_gl; int init_local_com_struct() { const char *user = GB_getenvUSER(); if( aisc_create(pd_gl.link, PT_MAIN, pd_gl.com, MAIN_LOCS, PT_LOCS, &pd_gl.locs, LOCS_USER, user, NULL)){ return 1; } return 0; } void aw_message(const char *error){ printf("%s\n",error); } static const char *AP_probe_pt_look_for_server() { char choice[256]; sprintf(choice,"ARB_PT_SERVER%i",P.SERVERID); GB_ERROR error = arb_look_and_start_server(AISC_MAGIC_NUMBER,choice,0); if (error) { aw_message(error); return 0; } return GBS_read_arb_tcp(choice); } int probe_design_send_data(T_PT_PDC pdc) { // int i; // char buffer[256]; if (aisc_put(pd_gl.link,PT_PDC, pdc, PDC_CLIPRESULT, P.DESIGNCPLIPOUTPUT, NULL)) return 1; return 0; } void AP_probe_design_event() { T_PT_PDC pdc; T_PT_TPROBE tprobe; bytestring bs; char *match_info; { const char *servername = AP_probe_pt_look_for_server(); if (!servername) return; pd_gl.link = (aisc_com *)aisc_open(servername, &pd_gl.com,AISC_MAGIC_NUMBER); } if (!pd_gl.link) { aw_message ("Cannot contact Probe bank server "); return; } if (init_local_com_struct() ) { aw_message ("Cannot contact Probe bank server (2)"); return; } bs.data = (char*)(P.DESINGNAMES); bs.size = strlen(bs.data)+1; aisc_create(pd_gl.link,PT_LOCS, pd_gl.locs, LOCS_PROBE_DESIGN_CONFIG, PT_PDC, &pdc, PDC_PROBELENGTH,P.DESIGNPROBELENGTH, PDC_MINTEMP, (double)P.MINTEMP, PDC_MAXTEMP, (double)P.MAXTEMP, PDC_MINGC, P.MINGC/100.0, PDC_MAXGC, P.MAXGC/100.0, PDC_MAXBOND, (double)P.MAXBOND, NULL); aisc_put(pd_gl.link,PT_PDC, pdc, PDC_MINPOS, P.MINPOS, PDC_MAXPOS, P.MAXPOS, PDC_MISHIT, P.MISHIT, PDC_MINTARGETS, P.MINTARGETS/100.0, NULL); if (probe_design_send_data(pdc)) { aw_message ("Connection to PT_SERVER lost (1)"); return; } apd_sequence *s; for ( s= P.sequence; s; s = s->next){ bytestring bs_seq; T_PT_SEQUENCE pts; bs_seq.data = (char*)s->sequence; bs_seq.size = strlen(bs_seq.data)+1; aisc_create(pd_gl.link, PT_PDC, pdc, PDC_SEQUENCE, PT_SEQUENCE, &pts, SEQUENCE_SEQUENCE, &bs_seq, NULL); } aisc_put(pd_gl.link,PT_PDC, pdc, PDC_NAMES,&bs, PDC_GO, 0, NULL); { char *locs_error = 0; if (aisc_get( pd_gl.link, PT_LOCS, pd_gl.locs, LOCS_ERROR ,&locs_error, NULL)){ aw_message ("Connection to PT_SERVER lost (1)"); return; } if (*locs_error) { aw_message(locs_error); } delete locs_error; } aisc_get( pd_gl.link, PT_PDC, pdc, PDC_TPROBE, &tprobe, NULL); if (tprobe) { aisc_get( pd_gl.link, PT_TPROBE, tprobe, TPROBE_INFO_HEADER, &match_info, NULL); printf("%s\n",match_info); free(match_info); } while ( tprobe ){ if (aisc_get( pd_gl.link, PT_TPROBE, tprobe, TPROBE_NEXT, &tprobe, TPROBE_INFO, &match_info, NULL)) break; printf("%s\n",match_info); } aisc_close(pd_gl.link); pd_gl.link = 0; return; } void AP_probe_match_event() { T_PT_PDC pdc; T_PT_MATCHLIST match_list; char *probe = 0; char *locs_error; { const char *servername = AP_probe_pt_look_for_server(); if (!servername) return; pd_gl.link = (aisc_com *)aisc_open(servername, &pd_gl.com,AISC_MAGIC_NUMBER); } if (!pd_gl.link) { aw_message ("Cannot contact Probe bank server "); return; } if (init_local_com_struct() ) { aw_message ("Cannot contact Probe bank server (2)"); return; } aisc_create(pd_gl.link,PT_LOCS, pd_gl.locs, LOCS_PROBE_DESIGN_CONFIG, PT_PDC, &pdc, NULL); if (probe_design_send_data(pdc)) { aw_message ("Connection to PT_SERVER lost (2)"); return; } if (aisc_nput(pd_gl.link,PT_LOCS, pd_gl.locs, LOCS_MATCH_REVERSED, P.COMPLEMENT, LOCS_MATCH_SORT_BY, P.WEIGHTED, LOCS_MATCH_COMPLEMENT, 0, LOCS_MATCH_MAX_MISMATCHES, P.MISMATCHES, LOCS_MATCH_MAX_SPECIES, 100000, LOCS_SEARCHMATCH, P.SEQUENCE, NULL)){ free(probe); aw_message ("Connection to PT_SERVER lost (2)"); return; } long match_list_cnt; bytestring bs; bs.data = 0; aisc_get( pd_gl.link, PT_LOCS, pd_gl.locs, LOCS_MATCH_LIST, &match_list, LOCS_MATCH_LIST_CNT, &match_list_cnt, LOCS_MATCH_STRING, &bs, LOCS_ERROR, &locs_error, NULL); if (*locs_error) { aw_message(locs_error); } free(locs_error); char toksep[2]; toksep[0] = 1; toksep[1] = 0; printf("%s\n",bs.data); aisc_close(pd_gl.link); free(bs.data); return; } int pargc; char **pargv; int helpflag; int getInt(const char *param, int val, int min, int max, const char *description){ if (helpflag){ printf(" %s=%3i [%3i:%3i] %s\n",param,val,min,max,description); return 0; } int i; char *s = 0; arb_assert(pargc >= 1); // otherwise s stays 0 for (i=1;imax) val = max; return val; } const char *getString(const char *param, const char *val, const char *description){ if (helpflag){ if (!val) val = ""; printf(" %s=%s %s\n",param,val,description); return 0; } int i; char *s = 0; arb_assert(pargc >= 1); // otherwise s stays 0 for (i=1;inext = P.sequence; P.sequence = s; s->sequence = P.DESIGNSEQUENCE; P.DESIGNSEQUENCE = 0; } P.DESIGNPROBELENGTH = getInt("designprobelength",18,10,100, "Length of probe"); P.MINTEMP = getInt("designmintemp",0,0,400, "Minimum melting temperature of probe"); P.MAXTEMP = getInt("designmaxtemp",400,0,400, "Maximum melting temperature of probe"); P.MINGC = getInt("desingmingc",30,0,100, "Minimum gc content"); P.MAXGC = getInt("desingmaxgc",80,0,100, "Maximum gc content"); P.MAXBOND = getInt("desingmaxbond",0,0,10, "Not implemented"); P.MINPOS = getInt("desingminpos",0,0,10000, "Minimum ecoli position"); P.MAXPOS = getInt("desingmaxpos",10000,0,10000, "Maximum ecoli position"); P.MISHIT = getInt("designmishit",0,0,10000, "Number of allowed hits outside the selected group"); P.MINTARGETS = getInt("designmintargets",50,0,100, "Minimum percentage of hits within the selected species"); P.SEQUENCE = getString("matchsequence","agtagtagt","The sequence to search for"); P.MISMATCHES = getInt("matchmismatches", 0,0,5, "Maximum Number of allowed mismatches"); P.COMPLEMENT = getInt("matchcomplement", 0,0,1, "Match reversed and complemented probe"); P.WEIGHTED = getInt("matchweighted", 0,0,1, "Use weighted mismatches"); if (pargc>1){ printf("Unknown Parameter %s\n", pargv[1]); exit(-1); } if (helpflag) return 0; if (*P.DESINGNAMES || P.sequence){ AP_probe_design_event(); }else{ AP_probe_match_event(); } return 0; } ./arbsrc_9167/TOOLS/arb_proto_2_xsub.cxx0000644012664100000130000002363311440743001020035 0ustar arb_buildcoders#include #include #include #include #if defined(DEBUG) // #define DUMP #endif // DEBUG static char *filename = 0; static void error(const char *msg) { fprintf(stderr, "%s:1: %s\n", filename, msg); } int main(int argc, char **argv) { if (argc <= 2) { fprintf(stderr,"arb_proto_2_xsub converts GB_prototypes to perl interface\n"); fprintf(stderr,"Usage: arb_proto_2_xsub \n"); fprintf(stderr," may contain prototypes. Those will not be overwritten!!!\n"); return(-1); } char *data = GB_read_file(filename = argv[1]); if (!data){ GB_print_error(); exit(EXIT_FAILURE); } /* read old version (i.e. ARB.xs.default) and put all existing functions to exclude hash */ char *head = GB_read_file(argv[2]); printf("/* This file has been generated from %s */\n\n", argv[2]); printf("%s",head); /* inserting the *.xs.default in the output *.xs file*/ GB_HASH *exclude_hash = GBS_create_hash(1024, GB_MIND_CASE); /*prepare list for excluded functions from xs header*/ { char *tok; /* initializer cond updater */ for (tok = strtok(head,"\n");tok;tok = strtok(NULL,"\n")){ if ( !strncmp(tok,"P2A_",4) || !strncmp(tok,"P2AT_",5)){ /* looks like the if-branch is entered for every token*/ char *fn = GBS_string_eval(tok,"(*=",0); GBS_write_hash(exclude_hash,fn,1); free(fn); } } } /*parsing of proto.h and replacing substrings*/ data = GBS_string_eval(data, "\nchar=\nschar" // strdupped char ":const =" ":GB_CSTR =char \\*" ":GB_ERROR =char \\*" ":GB_BUFFER =char \\*" ":GB_ULONG =long " ":enum gb_call_back_type =char \\*" ":GB_TYPES =char \\*" ":GB_BOOL =int " ":GB_CASE =int " ":GB_UNDO_TYPE =char \\*" ,0); char *tok; GBS_strstruct *gb_out = GBS_stropen(100000); GBS_strstruct *gbt_out = GBS_stropen(100000); bool inComment = false; char *type = 0; for (tok = strtok(data,";\n");tok;tok = strtok(0,";\n")) { freeset(type, 0); #if defined(DEBUG) // fprintf(stderr,"tok='%s'\n",tok); #endif // DEBUG // comment handling : if (inComment) { char *cmtEnd = strstr(tok, "*/"); if (!cmtEnd) continue; // continued comment -> search on strcpy(tok, cmtEnd+2); // remove comment inComment = false; } arb_assert(!inComment); for (char *cmtStart = strstr(tok, "/*"); cmtStart; cmtStart = strstr(tok, "/*")) { char *cmtEnd = strstr(cmtStart+2, "*/"); if (cmtEnd) { cmtStart[0] = ' '; strcpy(cmtStart+1, cmtEnd+2); } else { inComment = true; break; } } if (inComment) continue; while (tok[0] == ' ' || tok[0] == '\t') ++tok; // skip whitespace at beginning of line if (!tok[0]) continue; // skip empty lines #if defined(DEBUG) // fprintf(stderr,"noc='%s'\n",tok); #endif // DEBUG if (strpbrk(tok,"#{}")) continue; // ignore blocks like: // //#ifdef __cplusplus //extern "C" { //#endif //#ifdef __cplusplus //} //#endif /* exclude some functions because of type problems */ if (strstr(tok,"NOT4PERL")) continue; if (strstr(tok,"struct")) continue; if (strstr(tok,"UINT4 *")) continue; if (strstr(tok,"FLOAT *")) continue; if (strstr(tok,"...")) continue; if (strstr(tok,"GBQUARK")) continue; if (strstr(tok,"GB_HASH")) continue; if (strstr(tok,"GBT_TREE")) continue; if (strstr(tok,"GB_Link_Follower")) continue; if (strstr(tok,"GB_alignment_type")) continue; if (strstr(tok,"GB_COMPRESSION_MASK")) continue; if (strstr(tok,"float *")) continue; if (strstr(tok,"**")) continue; if (GBS_string_matches(tok,"*(*(*)(*",GB_MIND_CASE)) continue; // no function parameters if (strstr(tok,"GB_CB")) continue; // this is a function parameter as well #if defined(DUMP) fprintf(stderr,"Good='%s'\n",tok); #endif // DUMP /* extract function type */ char *sp = strchr(tok,' '); arb_assert(type == 0); { // is the expected declaration format "type name(..)" or "type name P_((..))" ?? if (!sp) error(GBS_global_string("Space expected in '%s'",tok)); while (sp[1] == '*' || sp[1] == ' ') sp++; // function type // create a copy of the return type int c = sp[1]; sp[1] = 0; type = strdup(tok); sp[1] = c; // remove spaces from return type char *t = type; char *f = type; while (*f) { if (*f != ' ') *t++ = *f; ++f; } t[0] = 0; } /* check type */ GB_BOOL const_char = GB_FALSE; GB_BOOL free_flag = GB_FALSE; if (strcmp(type,"char*") == 0) const_char = GB_TRUE; if (strncmp(type,"schar",5) == 0) { free_flag = GB_TRUE; freedup(type, type+1); } if (strcmp(type,"float") == 0) freedup(type, "double"); if (strcmp(type,"GB_alignment_type") == 0) freedup(type, "double"); tok = sp; while (tok[0] == ' ' || tok[0] == '*') ++tok; char *func_name = 0; char *arguments = 0; char *P_wrapped = strstr(tok, " P_("); if (P_wrapped) { sp = strchr(tok, ' '); if (!sp) error(GBS_global_string("Space expected in '%s'", tok)); sp[0] = 0; // end function name func_name = tok; arguments = P_wrapped+5; char *last_paren = strrchr(arguments, ')'); if (!last_paren) error(GBS_global_string("')' expected in '%s'", arguments)); if (last_paren[-1] == ')') { last_paren[-1] = 0; // end arguments } else { error(GBS_global_string("'))' expected in '%s'", P_wrapped)); } } else { char *open_paren = strchr(tok, '('); if (!open_paren) error(GBS_global_string("'(' expected in '%s'", tok)); open_paren[0] = 0; func_name = tok; arguments = open_paren+1; char *last_paren = strrchr(arguments, ')'); if (!last_paren) error(GBS_global_string("')' expected in '%s'", arguments)); last_paren[0] = 0; } arb_assert(func_name); arb_assert(arguments); #if defined(DUMP) fprintf(stderr, "type='%s' func_name='%s' arguments='%s'\n", type, func_name, arguments); #endif // DUMP /* exclude some funtions */ if (!strcmp(func_name,"GBT_add_data")) continue; // translate prefixes GBS_strstruct *out = 0; if (!strncmp(func_name,"GB_",3)) out = gb_out; if (!strncmp(func_name,"GBT_",4)) out = gbt_out; if (!strncmp(func_name,"GEN_",4)) out = gbt_out; if (!out) continue; char *perl_func_name = GBS_string_eval(func_name,"GBT_=P2AT_:GB_=P2A_:GEN_=P2AT_",0); if (GBS_read_hash(exclude_hash,perl_func_name)) continue; GBS_write_hash(exclude_hash,perl_func_name,1); // don't list functions twice #if defined(DUMP) fprintf(stderr, "-> accepted!\n"); #endif // DUMP char *p; GBS_strstruct *params = GBS_stropen(1000); GBS_strstruct *args = GBS_stropen(1000); for (p=arguments; arguments; arguments=p ){ p = strchr(arguments,','); if (p) *(p++) = 0; if (p && *p == ' ') p++; if (strcmp(arguments,"void")){ GBS_strcat(params," "); GBS_strcat(params,arguments); GBS_strcat(params,"\n"); char *arp = strrchr(arguments,' '); if (arp) { arp++; if (arp[0] == '*') arp++; GBS_strcat(args,","); GBS_strcat(args,arp); } } } char *sargs = GBS_strclose(args); if (sargs[0] == ',') sargs++; char *sparams = GBS_strclose(params); GBS_strnprintf(out,1000,"%s\n",type); GBS_strnprintf(out,1000,"%s(%s)\n%s\n",perl_func_name,sargs,sparams); if (!strncmp(type,"void",4)){ GBS_strnprintf(out,100," PPCODE:\n"); GBS_strnprintf(out,1000," %s(%s);\n\n", func_name,sargs); }else{ GBS_strnprintf(out,100," CODE:\n"); if (const_char){ GBS_strnprintf(out,1000, " RETVAL = (char *)%s(%s);\n", (char *)func_name,sargs); }else if(free_flag){ GBS_strnprintf(out,1000, " if (static_pntr) free(static_pntr);\n"); GBS_strnprintf(out,1000, " static_pntr = %s(%s);\n", func_name,sargs); GBS_strnprintf(out,1000, " RETVAL = static_pntr;\n"); }else{ GBS_strnprintf(out,1000, " RETVAL = %s(%s);\n", func_name,sargs); } GBS_strnprintf(out, 1000, " OUTPUT:\n RETVAL\n\n"); } } if (inComment) error("Comment until end of file"); printf("%s",GBS_strclose(gb_out)); printf("MODULE = ARB PACKAGE = BIO PREFIX = P2AT_\n\n"); printf("%s",GBS_strclose(gbt_out)); return EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/arb_read_tree.cxx0000644012664100000130000001474411440743001017345 0ustar arb_buildcoders#include #include // add_bootstrap interprets the length of the branches as bootstrap value // (this is needed by Phylip DNAPARS/PROTPARS with bootstrapping) // // 'hundred' specifies which value represents 100% void add_bootstrap(GBT_TREE *node, double hundred) { if (node->is_leaf) { freeset(node->remark_branch, 0); return; } node->leftlen /= hundred; node->rightlen /= hundred; double left_bs = node->leftlen * 100.0 + 0.5; double right_bs = node->rightlen * 100.0 + 0.5; #if defined(DEBUG) && 0 fprintf(stderr, "node->leftlen = %f left_bs = %f\n", node->leftlen, left_bs); fprintf(stderr, "node->rightlen = %f right_bs = %f\n", node->rightlen, right_bs); #endif // DEBUG node->leftson->remark_branch = GBS_global_string_copy("%2.0f%%", left_bs); node->rightson->remark_branch = GBS_global_string_copy("%2.0f%%", right_bs); node->leftlen = 0.1; // reset branchlengths node->rightlen = 0.1; add_bootstrap(node->leftson, hundred); add_bootstrap(node->rightson, hundred); } ATTRIBUTED(__ATTR__NORETURN, static void abort_with_usage(GBDATA *gb_main, const char *error)) { printf("Usage: arb_read_tree [-scale factor] [-consense #ofTrees] tree_name treefile [comment] [-commentFromFile file]\n"); if (error) { printf("Error: %s\n", error); GBT_message(gb_main, GBS_global_string("Error running arb_read_tree (%s)", error)); } exit(-1); } int main(int argc,char **argv) { GBDATA *gb_main = GB_open(":","r"); if (!gb_main){ printf("arb_read_tree: Error: you have to start an arbdb server first\n"); return -1; } #define SHIFT_ARGS(off) do { argc -= off; argv += off; } while(0) SHIFT_ARGS(1); // position onto first argument bool scale = false; double scale_factor = 0.0; if (argc>0 && strcmp("-scale",argv[0]) == 0) { scale = true; if (argc<2) abort_with_usage(gb_main, "-scale expects a 2nd argument (scale factor)"); scale_factor = atof(argv[1]); SHIFT_ARGS(2); } bool consense = false; int calculated_trees = 0; if (argc>0 && strcmp("-consense",argv[0]) == 0) { consense = true; if (argc<2) abort_with_usage(gb_main, "-consense expects a 2nd argument (number of trees)"); calculated_trees = atoi(argv[1]); if (calculated_trees < 1) { abort_with_usage(gb_main, GBS_global_string("Illegal # of trees (%i) for -consense", calculated_trees)); } SHIFT_ARGS(2); } if (!argc) abort_with_usage(gb_main, "Missing argument 'tree_name'"); const char *tree_name = argv[0]; SHIFT_ARGS(1); if (!argc) abort_with_usage(gb_main, "Missing argument 'treefile'"); const char *filename = argv[0]; SHIFT_ARGS(1); const char *comment = 0; if (argc>0) { comment = argv[0]; SHIFT_ARGS(1); } const char *commentFile = 0; if (argc>0 && strcmp("-commentFromFile", argv[0]) == 0) { if (argc<2) abort_with_usage(gb_main, "-commentFromFile expects a 2nd argument (file containing comment)"); commentFile = argv[1]; SHIFT_ARGS(2); } // end of argument parsing! if (argc>0) abort_with_usage(gb_main, GBS_global_string("unexpected argument(s): %s ..", argv[0])); // -------------------------------------------------------------------------------- char *comment_from_file = 0; if (commentFile) { comment_from_file = GB_read_file(commentFile); if (!comment_from_file) { comment_from_file = GBS_global_string_copy("Error reading from comment-file '%s':\n%s", commentFile, GB_await_error()); } } char *comment_from_treefile = 0; GBT_message(gb_main, GBS_global_string("Reading tree from '%s' ..", filename)); GB_ERROR error = 0; GBT_TREE *tree; { char *scaleWarning = 0; tree = TREE_load(filename, sizeof(GBT_TREE), &comment_from_treefile, (consense||scale) ? 0 : 1, &scaleWarning); if (!tree) { error = GB_await_error(); } else { if (scaleWarning) { GBT_message(gb_main, scaleWarning); free(scaleWarning); } } } if (!error) { if (scale) { GBT_message(gb_main, GBS_global_string("Scaling branch lengths by factor %f.", scale_factor)); TREE_scale(tree, scale_factor, 1.0); } if (consense) { if (calculated_trees < 1) { error = "Minimum for -consense is 1"; } else { GBT_message(gb_main, GBS_global_string("Reinterpreting branch lengths as consense values (%i trees).", calculated_trees)); add_bootstrap(tree, calculated_trees); } } } if (!error) { error = GB_begin_transaction(gb_main); if (!error && tree->is_leaf) error = "Cannot load tree (need at least 2 leafs)"; if (!error) error = GBT_write_tree(gb_main,0,tree_name,tree); if (!error) { // write tree comment: const char *datestring; { time_t date; if (time(&date) == -1) datestring = ""; else datestring = ctime(&date); } char *load_info = GBS_global_string_copy("Tree loaded from '%s' on %s", filename, datestring); #define COMMENT_SOURCES 4 const char *comments[COMMENT_SOURCES] = { comment, comment_from_file, comment_from_treefile, load_info, }; GBS_strstruct *buf = GBS_stropen(5000); bool empty = true; for (int c = 0; c #include #include #include int main(int argc, char **argv) { char *data; char *ndata; FILE *out; int arg; char *eval; const char *fname; int linemode = GB_FALSE; int delete_empty_lines = GB_FALSE; int startarg; int patchmode = GB_FALSE; if (argc <=1 || (argc >= 2 && strcmp(argv[1], "--help") == 0)) { printf("syntax: arb_replace [-l/L/p] \"old=newdata\" [filepattern]\n"); // printf(" %s %s %s %s",argv[0],argv[1],argv[2],argv[3]); printf(" -l linemode, parse each line separately\n"); printf(" -L linemode, parse each line separately, delete empty lines\n"); printf(" -p patchmode, (no wildcards allowed, rightside #include #include #include #include #define ASRS_BUFFERSIZE 256 struct arb_asrs_struct { GBDATA *gb_main; char source[ASRS_BUFFERSIZE]; char dest[ASRS_BUFFERSIZE]; char *sp_name; char *sequence; } asrs; void arb_asrs_menu() { printf("please select source file name\n"); fgets(asrs.source, ASRS_BUFFERSIZE, stdin); printf("please select dest file name\n"); fgets(asrs.dest, ASRS_BUFFERSIZE, stdin); } #define NEXTBASE(p) while ( *p && ((*p<'A') || (*p>'Z')) && ((*p<'a') || (*p>'z')) ) p++; void arb_asrs_swap() { FILE *in,*out; char buffer[1024]; char *p; char *ok; in = fopen(asrs.source,"r"); if (!in) { printf("source file not found\n"); exit (0); } out = fopen(asrs.dest,"w"); if (!out) { printf("dest file could not be written\n"); exit (0); } p = asrs.sequence; NEXTBASE(p); while ((ok = fgets(buffer,1020,in))){ if (!strchr(buffer,'#')) { ok = strchr(buffer,' '); if (ok && ok[1]) { if (*p){ ok[1] = *(p++); NEXTBASE(p); }else{ ok[1] = '-'; } } fputs(buffer,out); }else{ fputs(buffer,out); break; } } while ((ok = fgets(buffer,1020,in))){ fputs(buffer,out); } fclose(in); fclose(out); } int main(int argc, char **/*argv*/) { GB_ERROR error = 0; if (argc != 1) { error = "no parameters"; } else { asrs.gb_main = GB_open(":","rwt"); if (!asrs.gb_main){ error = "cannot find ARB server"; } else { GB_begin_transaction(asrs.gb_main); GBDATA *gb_species = GBT_first_marked_species(asrs.gb_main); if (!gb_species) { error = "please mark exactly one species"; } else if (GBT_next_marked_species(gb_species)) { error = "more than one species marked"; } else { asrs.sp_name = strdup(GBT_read_name(gb_species)); GBDATA *gb_use = GB_search(asrs.gb_main,"presets/use",GB_FIND); char *use = GB_read_string(gb_use); GBDATA *gb_ali = GB_entry(gb_species,use); if (!gb_ali) { error = GBS_global_string("Species '%s' has no data in alignment '%s'", asrs.sp_name, use); } else { GBDATA *gb_data = GB_entry(gb_ali,"data"); asrs.sequence = GB_read_string(gb_data); } } error = GB_end_transaction(asrs.gb_main, error); GB_close(asrs.gb_main); if (!error) { arb_asrs_menu(); arb_asrs_swap(); } } } int result = EXIT_SUCCESS; if (error) { fprintf(stderr, "Error in arb_swap_rnastr: %s\n", error); result = EXIT_FAILURE; } return result; } ./arbsrc_9167/TOOLS/arb_test.cxx0000644012664100000130000001220011440743001016353 0ustar arb_buildcoders// =============================================================== // // // // File : arb_test.cxx // // Purpose : small test programm (not part of ARB) // // If you need to test sth, you may completely // // overwrite and checkin this. // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2008 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #include #include #include static GB_ERROR create_n_write(GBDATA *gb_father, const char *field, const char *content) { GB_ERROR error = 0; GBDATA *gbd = GB_create(gb_father, field, GB_STRING); if (!gbd) { error = GB_await_error(); } else { error = GB_write_string(gbd, content); } return error; } static GB_ERROR find_n_print(GBDATA *gb_father, const char *field) { GB_ERROR error = 0; GBDATA *gbd = GB_entry(gb_father, field); if (!gbd) { printf("No such field '%s'\n", field); } else { char *content = GB_read_string(gbd); if (!content) { error = GB_await_error(); } else { printf("field '%s' has content '%s'\n", field, content); free(content); } } return error; } static GB_ERROR dump_fields(GBDATA *gb_main) { GB_transaction ta(gb_main); GB_ERROR error; error = find_n_print(gb_main, "case"); if (!error) error = find_n_print(gb_main, "CASE"); if (!error) error = find_n_print(gb_main, "Case"); return error; } static GB_ERROR dump_key_data(GBDATA *gb_main) { GB_transaction ta(gb_main); GB_ERROR error = 0; GBDATA *gb_system = GB_entry(gb_main, "__SYSTEM__"); if (!gb_system) { error = "can't find '__SYSTEM__'"; } else { GBDATA *gb_key_data = GB_entry(gb_system, "@key_data"); if (!gb_key_data) { error = "can't find '@key_data'"; } else { int count = 0; for (GBDATA *gb_key = GB_entry(gb_key_data, "@key"); gb_key; gb_key = GB_nextEntry(gb_key)) { GBDATA *gb_name = GB_entry(gb_key, "@name"); if (!gb_name) { error = "@key w/o @name entry"; } else { char *name = GB_read_string(gb_name); if (!name) { error = GB_await_error(); } else { GBDATA *gb_cm = GB_entry(gb_key, "compression_mask"); if (!gb_cm) { error = "@key w/o compression_mask"; } else { int cm = GB_read_int(gb_cm); printf("key %i name='%s' compression_mask=%i\n", count, name, cm); } free(name); } } count++; } printf("%i keys seen\n", count); } } return error; } static GB_ERROR create_db(const char *filename) { GB_ERROR error = 0; GBDATA *gb_main = GB_open(filename, "wc"); if (!gb_main) error = GB_await_error(); // write two fields with same case if (!error) { GB_transaction ta(gb_main); error = create_n_write(gb_main, "case", "lower case"); if (!error) error = create_n_write(gb_main, "CASE", "upper case"); error = ta.close(error); } // search for fields if (!error) error = dump_fields(gb_main); if (!error) error = dump_key_data(gb_main); if (!error) error = GB_save(gb_main, filename, "b"); GB_close(gb_main); return error; } static GB_ERROR test_db(const char *filename) { GB_ERROR error = 0; GBDATA *gb_main = GB_open(filename, "r"); if (!gb_main) error = GB_await_error(); if (!error) error = dump_fields(gb_main); if (!error) error = dump_key_data(gb_main); GB_close(gb_main); return error; } int main(int argc, char **argv) { if (argc != 2) { fprintf(stderr, "arb_test -- database test program\n" "Syntax: arb_test database\n"); return EXIT_FAILURE; } const char *filename = argv[1]; GB_ERROR error = 0; printf("Creating DB '%s'..\n", filename); error = create_db(filename); if (!error) { printf("Testing DB '%s'..\n", filename); error = test_db(filename); } if (error) fprintf(stderr, "Error in arb_test: %s\n", error); return error ? EXIT_FAILURE : EXIT_SUCCESS; } ./arbsrc_9167/TOOLS/DNAml_rates_1_0.h0000644012664100000130000000503011440743001016770 0ustar arb_buildcoders/* DNAml_rates.h */ /* Compile time switches for various updates to program: * 0 gives original version * 1 gives new version */ #define UseStdin 1 #define Debug 1 #define DebugData 0 /* Program constants and parameters */ #define maxsp 10000 /* maximum number of species */ #define maxsites 8000 /* maximum number of sites */ #define maxpatterns 8000 /* max number of different site patterns */ #define maxcategories 35 /* maximum number of site types */ #define nmlngth 10 /* max. number of characters in species name */ #define KI_MAX 256.0 /* largest rate possible */ #define RATE_STEP sqrt(sqrt(2.0)) /* initial step size for rate search */ #define MAX_ERROR 0.01 /* max fractional error in rate calculation */ #define MIN_INFO 4 /* minimum number of informative sequences */ #define UNDEF_CATEGORY 1 /* category number to output for undefined rate */ #define zmin 1.0E-15 /* max branch prop. to -log(zmin) (= 34) */ #define zmax (1.0 - 1.0E-6) /* min branch prop. to 1.0-zmax (= 1.0E-6) */ #define unlikely -1.0E300 /* low likelihood for initialization */ #define decimal_point '.' #define TRUE 1 #define FALSE 0 #define ABS(x) (((x)< 0) ? -(x) : (x)) #define MIN(x,y) (((x)<(y)) ? (x) : (y)) #define MAX(x,y) (((x)>(y)) ? (x) : (y)) #define LOG(x) (((x)> 0) ? log(x) : hang("log domain error")) #define nint(x) ((int) ((x)>0 ? ((x)+0.5) : ((x)-0.5))) #define aint(x) ((double) ((int) (x))) typedef int boolean; typedef double xtype; typedef struct xmantyp { struct xmantyp *prev; struct xmantyp *next; struct noderec *owner; xtype *a, *c, *g, *t; } xarray; typedef struct noderec { double z; struct noderec *next; struct noderec *back; int number; xarray *x; int xcoord, ycoord, ymin, ymax; char name[nmlngth+1]; /* Space for null termination */ char *tip; /* Pointer to sequence data */ } node, *nodeptr; typedef struct { double likelihood; double log_f[maxpatterns]; node *nodep[2*maxsp-1]; node *start; int mxtips; int ntips; int nextnode; int opt_level; boolean smoothed; boolean rooted; } tree; typedef struct { double tipmax; int tipy; } drawdata; ./arbsrc_9167/TOOLS/Makefile0000644012664100000130000002013711440743001015474 0ustar arb_buildcoders.SUFFIXES: .c .cxx .depend .o TOOLS := \ arb_2_ascii \ arb_2_bin \ arb_a2ps \ arb_count_chars \ arb_dnarates \ arb_export_rates \ arb_export_tree \ arb_gene_probe \ arb_message \ arb_notify \ arb_primer \ arb_probe \ arb_proto_2_xsub \ arb_read_tree \ arb_replace \ arb_swap_rnastr \ ifeq ($(DEBUG),1) # add all arb*test*.c[xx] files TOOLS += $(subst .c,,$(wildcard arb*test*.c)) TOOLS += $(subst .cxx,,$(wildcard arb*test*.cxx)) endif LIB_ARBDB := $(LIBPATH) -lARBDB LIBS_ARB_PROBE := ../SERVERCNTRL/SERVERCNTRL.a ../PROBE_COM/client.a LIBS_ARB_READ_TREE := ../SL/TREE_READ/TREE_READ.a LIBS_ARB_EXPORT_TREE := ../SL/TREE_WRITE/TREE_WRITE.a ../XML/XML.a $(LIBS_ARB_READ_TREE) OBJECTS:=$(addsuffix .o,$(TOOLS)) BINARIES:=$(addprefix $(ARBHOME)/bin/,$(TOOLS)) all: $(BINARIES) %.o: %.cxx $(CPP) $(cflags) -c $< $(CPPINCLUDES) $(POST_COMPILE) %.o: %.c $(ACC) $(cflags) -c $< $(CPPINCLUDES) $(POST_COMPILE) $(ARBHOME)/bin/arb_probe: arb_probe.o $(LIBS_ARB_PROBE) $(LINK_EXECUTABLE) $@ $< $(LIBS_ARB_PROBE) $(LIB_ARBDB) $(ARBHOME)/bin/arb_read_tree: arb_read_tree.o $(LIBS_ARB_READ_TREE) $(LINK_EXECUTABLE) $@ $< $(LIBS_ARB_READ_TREE) $(LIB_ARBDB) $(ARBHOME)/bin/arb_export_tree: arb_export_tree.o $(LIBS_ARB_EXPORT_TREE) $(LINK_EXECUTABLE) $@ $< $(LIBS_ARB_EXPORT_TREE) $(LIB_ARBDB) $(ARBHOME)/bin/%: %.o $(LINK_EXECUTABLE) $@ $< $(LIB_ARBDB) clean: rm -f $(BINARIES) rm -f $(OBJECTS) depends: $(MAKE) "DEBUG=1" depends_debug DEPENDS = $(OBJECTS:.o=.depend) depends_debug: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl arb_2_ascii.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_2_ascii.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_2_ascii.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_2_ascii.o: $(ARBHOME)/INCLUDE/arbdb.h arb_2_ascii.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_2_ascii.o: $(ARBHOME)/INCLUDE/attributes.h arb_2_bin.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_2_bin.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_2_bin.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_2_bin.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_2_bin.o: $(ARBHOME)/INCLUDE/arbdb.h arb_2_bin.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_2_bin.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_2_bin.o: $(ARBHOME)/INCLUDE/attributes.h arb_count_chars.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_count_chars.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_count_chars.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_count_chars.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_count_chars.o: $(ARBHOME)/INCLUDE/arbdb.h arb_count_chars.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_count_chars.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_count_chars.o: $(ARBHOME)/INCLUDE/attributes.h arb_dnarates.o: DNAml_rates_1_0.h arb_dnarates.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_dnarates.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_dnarates.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_dnarates.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_dnarates.o: $(ARBHOME)/INCLUDE/arbdb.h arb_dnarates.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_dnarates.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_dnarates.o: $(ARBHOME)/INCLUDE/attributes.h arb_dnarates.o: $(ARBHOME)/INCLUDE/aw_awars.hxx arb_export_rates.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_export_rates.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_export_rates.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_export_rates.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_export_rates.o: $(ARBHOME)/INCLUDE/arbdb.h arb_export_rates.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_export_rates.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_export_rates.o: $(ARBHOME)/INCLUDE/attributes.h arb_export_rates.o: $(ARBHOME)/INCLUDE/aw_awars.hxx arb_export_tree.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_export_tree.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_export_tree.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_export_tree.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_export_tree.o: $(ARBHOME)/INCLUDE/arbdb.h arb_export_tree.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_export_tree.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_export_tree.o: $(ARBHOME)/INCLUDE/attributes.h arb_export_tree.o: $(ARBHOME)/INCLUDE/TreeWrite.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/adGene.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/arbdb.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_gene_probe.o: $(ARBHOME)/INCLUDE/attributes.h arb_message.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_message.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_message.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_message.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_message.o: $(ARBHOME)/INCLUDE/arbdb.h arb_message.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_message.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_message.o: $(ARBHOME)/INCLUDE/attributes.h arb_notify.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_notify.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_notify.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_notify.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_notify.o: $(ARBHOME)/INCLUDE/arbdb.h arb_notify.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_notify.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_notify.o: $(ARBHOME)/INCLUDE/attributes.h arb_perf_test.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_perf_test.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_perf_test.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_perf_test.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_perf_test.o: $(ARBHOME)/INCLUDE/arbdb.h arb_perf_test.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_perf_test.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_perf_test.o: $(ARBHOME)/INCLUDE/attributes.h arb_primer.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_primer.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_primer.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_primer.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_primer.o: $(ARBHOME)/INCLUDE/arbdb.h arb_primer.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_primer.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_primer.o: $(ARBHOME)/INCLUDE/attributes.h arb_probe.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_probe.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_probe.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_probe.o: $(ARBHOME)/INCLUDE/arbdb.h arb_probe.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_probe.o: $(ARBHOME)/INCLUDE/attributes.h arb_probe.o: $(ARBHOME)/INCLUDE/client.h arb_probe.o: $(ARBHOME)/INCLUDE/PT_com.h arb_probe.o: $(ARBHOME)/INCLUDE/servercntrl.h arb_proto_2_xsub.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_proto_2_xsub.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_proto_2_xsub.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_proto_2_xsub.o: $(ARBHOME)/INCLUDE/arbdb.h arb_proto_2_xsub.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_proto_2_xsub.o: $(ARBHOME)/INCLUDE/attributes.h arb_read_tree.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_read_tree.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_read_tree.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_read_tree.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_read_tree.o: $(ARBHOME)/INCLUDE/arbdb.h arb_read_tree.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_read_tree.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_read_tree.o: $(ARBHOME)/INCLUDE/attributes.h arb_read_tree.o: $(ARBHOME)/INCLUDE/TreeRead.h arb_replace.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_replace.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_replace.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_replace.o: $(ARBHOME)/INCLUDE/arbdb.h arb_replace.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_replace.o: $(ARBHOME)/INCLUDE/attributes.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/ad_t_prot.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/arbdb.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/arbdbt.h arb_swap_rnastr.o: $(ARBHOME)/INCLUDE/attributes.h arb_test.o: $(ARBHOME)/INCLUDE/ad_k_prot.h arb_test.o: $(ARBHOME)/INCLUDE/ad_prot.h arb_test.o: $(ARBHOME)/INCLUDE/arb_assert.h arb_test.o: $(ARBHOME)/INCLUDE/arbdb.h arb_test.o: $(ARBHOME)/INCLUDE/arbdb_base.h arb_test.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/TREEGEN/base.c0000644012664100000130000000217711440742777015332 0ustar arb_buildcoders#include "base.h" #include char helixBaseChar[BASECHARS] = { 'A', 'C', 'G', 'T', '=' }, loopBaseChar[BASECHARS] = { 'a', 'c', 'g', 't', '-' }; int basesArePairing[BASECHARS][BASECHARS] = { /* A C G T - */ { 0, 0, 0, 1, 0 }, /* A */ { 0, 0, 1, 0, 0 }, /* C */ { 0, 1, 0, 0, 0 }, /* G */ { 1, 0, 0, 0, 0 }, /* T */ { 0, 0, 0, 0, 0 }, /* - */ }; int baseCharType[MAXBASECHAR+1], charIsDelete[MAXBASECHAR+1], charIsHelical[MAXBASECHAR+1]; /* -------------------------------------------------------------------------- */ /* void initBaseLookups(void) */ /* ------------------------------------------------------ 25.05.95 02.07 ---- */ void initBaseLookups(void) { int b; for (b = 0; b #include #define MAXERRLEN 500 /* -------------------------------------------------------------------------- */ /* void error(cstr message) */ /* ------------------------------------------------------ 14.05.95 16:47 ---- */ void error(cstr message) { fprintf(stderr, "Error: %s\n", message); exit(1); } /* -------------------------------------------------------------------------- */ /* void warning(cstr message) */ /* ------------------------------------------------------ 18.05.95 11.41 ---- */ void warning(cstr message) { fprintf(stderr, "Warning: %s\n", message); } /* -------------------------------------------------------------------------- */ /* void errorf(cstr format, ...) */ /* ------------------------------------------------------ 18.05.95 11.08 ---- */ void errorf(cstr format, ...) { char errBuf[MAXERRLEN]; va_list argptr; va_start(argptr, format); vsprintf(errBuf, format, argptr); va_end(argptr); error(errBuf); } /* -------------------------------------------------------------------------- */ /* void warningf(cstr format, ...) */ /* ------------------------------------------------------ 18.05.95 11.08 ---- */ void warningf(cstr format, ...) { char warnBuf[MAXERRLEN]; va_list argptr; va_start(argptr, format); vsprintf(warnBuf, format, argptr); va_end(argptr); warning(warnBuf); } /* -------------------------------------------------------------------------- */ /* void def_outOfMemory(cstr source, int lineno) */ /* ------------------------------------------------------ 14.05.95 16:47 ---- */ void def_outOfMemory(cstr source, int lineno) { errorf("Out of memory (in %s, #%i)", source, lineno); } /* -------------------------------------------------------------------------- */ /* void def_assert(cstr whatFailed, cstr source, int lineno, int cnt) */ /* ------------------------------------------------------ 17.05.95 22.30 ---- */ void def_assert(cstr whatFailed, cstr source, int lineno, int cnt) { errorf("Assertion (%s) failed in %s (Line: %i ; Pass: %i)\n", whatFailed, source, lineno, cnt); } ./arbsrc_9167/TREEGEN/defines.h0000644012664100000130000000175011440742777016036 0ustar arb_buildcoders#ifndef __DEFINES_H #define __DEFINES_H #ifndef __STDIO_H #include #endif #ifndef ATTRIBUTES_H #include #endif /* /-----------\ */ /* | Defines | */ /* \-----------/ */ #define outOfMemory() def_outOfMemory(__FILE__, __LINE__) #define assert(c) do { static int assCnt; assCnt++; if (!(c)) def_assert(#c, __FILE__, __LINE__, assCnt); } while(0) /* /---------\ */ /* | Typen | */ /* \---------/ */ typedef char *str; typedef const char *cstr; /* /----------------\ */ /* | Hilfroutinen | */ /* \----------------/ */ #ifdef __cplusplus extern "C" { #endif void error (cstr message); void errorf (cstr format, ...) __ATTR__FORMAT(1); void warning (cstr message); void warningf (cstr format, ...) __ATTR__FORMAT(1); void def_outOfMemory (cstr source, int lineno); void def_assert (cstr whatFailed, cstr source, int lineno, int cnt); #ifdef __cplusplus } #endif #endif ./arbsrc_9167/TREEGEN/frand.c0000644012664100000130000000462611440742777015513 0ustar arb_buildcoders#include "frand.h" #include "defines.h" #include #include /* -------------------------------------------------------------------------- */ /* static double randval(void) */ /* ------------------------------------------------------ 16.05.95 20.17 ---- */ /* */ /* Liefert einen Zufallswert zwischen -0.5 und +0.5 */ /* */ static double randval(void) { double val = rand(); val /= RAND_MAX; val -= 0.5; assert(val>=-0.5); assert(val<= 0.5); return val; } /* -------------------------------------------------------------------------- */ /* static double lowfreqrandval(double *val) */ /* ------------------------------------------------------ 16.05.95 20.17 ---- */ /* */ /* Liefert einen niederfrequenten Zufallswert zwischen -0.5 und +0.5 */ /* */ static double lowfreqrandval(double *val, int teiler) { double add = randval()/teiler; *val += add; if (*val<-0.5 || *val>0.5) *val -= 2*add; return *val; } /* -------------------------------------------------------------------------- */ /* Frand initFrand(double medium, double low, double high) */ /* ------------------------------------------------------ 17.05.95 15:35 ---- */ Frand initFrand(double medium, double low, double high) { Frand f = (Frand)malloc(sizeof(*f)); if (!f) outOfMemory(); f->medium = medium; f->alpha = high*2; f->beta = low*2; f->val = randval(); f->teiler = 1; return f; } /* -------------------------------------------------------------------------- */ /* double getFrand(Frand f) */ /* ------------------------------------------------------ 17.05.95 15:35 ---- */ double getFrand(Frand f) { return f->medium + f->alpha * randval() + f->beta * lowfreqrandval(&(f->val), f->teiler); } /* -------------------------------------------------------------------------- */ /* void freeFrand(Frand f) */ /* ------------------------------------------------------ 17.05.95 15.36 ---- */ void freeFrand(Frand f) { free(f); } /* -------------------------------------------------------------------------- */ /* double randProb(void) */ /* ------------------------------------------------------ 16.05.95 20.17 ---- */ /* */ /* Liefert einen Zufallswert zwischen 0.0 und 1.0 */ /* */ double randProb(void) { double val = rand(); val /= RAND_MAX; assert(val>=0.0); assert(val<=1.0); return val; } ./arbsrc_9167/TREEGEN/frand.h0000644012664100000130000000151311440742777015510 0ustar arb_buildcoders#ifndef __FRAND_H #define __FRAND_H #ifndef __DEFINES_H #include "defines.h" #endif typedef struct S_Frand { double val, /* Interner Wert des Niederfrequenzgenerators */ alpha, /* Faktor fr konstanten Zufallsgenerator */ beta, /* Faktor fr niederfrequenten Zufallsgenerator */ medium; /* Mittelwert */ int teiler; /* Teiler fr Niederfrequenzgenerator */ } *Frand; /* Um den Frequenzgenerator an der selben Stelle wiederaufzusetzen, */ /* muá der Wert 'val' gemerkt und sp„ter wiedereingesetzt werden. */ #ifdef __cplusplus extern "C" { #endif Frand initFrand (double medium, double low, double high); void freeFrand (Frand f); double getFrand (Frand f); /* Zufallszahl (0.0 bis 1.0): */ double randProb (void); #ifdef __cplusplus } #endif #endif ./arbsrc_9167/TREEGEN/Makefile0000644012664100000130000000331411213220007015655 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .c .cxx .o .h .depend CPP_OBJECTS = C_OBJECTS = base.o defines.o frand.o readcfg.o rns.o sim.o simcfg.o spreadin.o OBJECTS = $(CPP_OBJECTS) $(C_OBJECTS) $(MAIN): $(CPP_OBJECTS) $(C_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) $(C_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACC) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(OBJECTS) *.a DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl base.o: base.h base.o: defines.h base.o: $(ARBHOME)/INCLUDE/attributes.h defines.o: defines.h defines.o: $(ARBHOME)/INCLUDE/attributes.h frand.o: defines.h frand.o: frand.h frand.o: $(ARBHOME)/INCLUDE/attributes.h readcfg.o: defines.h readcfg.o: readcfg.h readcfg.o: $(ARBHOME)/INCLUDE/attributes.h rns.o: base.h rns.o: defines.h rns.o: frand.h rns.o: rns.h rns.o: simcfg.h rns.o: spreadin.h rns.o: $(ARBHOME)/INCLUDE/attributes.h sim.o: base.h sim.o: defines.h sim.o: frand.h sim.o: rns.h sim.o: simcfg.h sim.o: $(ARBHOME)/INCLUDE/attributes.h simcfg.o: base.h simcfg.o: defines.h simcfg.o: frand.h simcfg.o: readcfg.h simcfg.o: rns.h simcfg.o: simcfg.h simcfg.o: $(ARBHOME)/INCLUDE/attributes.h spreadin.o: defines.h spreadin.o: spreadin.h spreadin.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/TREEGEN/readcfg.c0000644012664100000130000001472711213220007015766 0ustar arb_buildcoders#include "readcfg.h" #include #include #include #define COMMENT ';' #define MAXLEN 2048 static cstr error_message; /* Kann von decode gesetzt werden */ /* und wird dann als Fehlermeldung */ /* ausgegeben */ /* -------------------------------------------------------------------------- */ /* static void scanKeywords(struct S_cfgLine line[], int *lineanz, int... */ /* ------------------------------------------------------ 18.05.95 02.10 ---- */ /* */ /* Anzahl und maximale L„nge der Keywords bestimmen */ /* */ static void scanKeywords(struct S_cfgLine line[], int *lineanz, int *maxlen) { while (1) { cstr keyword = line[*lineanz].keyword; int keywordlen; if (!keyword) break; keywordlen = strlen(keyword); if (keywordlen>*maxlen) *maxlen = keywordlen; (*lineanz)++; } } /* -------------------------------------------------------------------------- */ /* static void cfgReadWarning(cstr fname, int lineno) */ /* ------------------------------------------------------ 18.05.95 02.23 ---- */ static void cfgReadWarning(cstr fname, int lineno) { warningf("Error in line %i of '%s'", lineno, fname); } /* -------------------------------------------------------------------------- */ /* int readCfg(cstr fname, struct S_cfgLine line[]) */ /* ------------------------------------------------------ 17.05.95 21:23 ---- */ /* */ /* liest und dekodiert CFG-Datei */ /* */ int readCfg(cstr fname, struct S_cfgLine line[]) { FILE *in = fopen(fname, "r"); int ok = in!=NULL; if (!ok && errno==ENOENT) /* Datei nicht vorhanden */ { FILE *out = fopen(fname, "w"); if (out) { fprintf(out, ";\n; arb_treegen CFG-File '%s'\n;\n\n", fname); fclose(out); warningf("'%s' has been generated.", fname); in = fopen(fname, "r"); ok = in!=NULL; } } if (ok) { char linebuf[MAXLEN]; int readLines = 0, /* Anzahl gelesener Zeilen */ keywords = 0, /* Anzahl keywords */ maxKeywordlen = 0, /* Laenge des laengsten keywords */ lineno = 0, /* fortlaufende Zeilennummer */ *wordRead, /* welche Worte wurden in welcher Zeile gelesen */ x; scanKeywords(line, &keywords, &maxKeywordlen); wordRead = (int*)malloc(keywords*sizeof(int)); for (x = 0; x #include #include #include "rns.h" #include "spreadin.h" /* /------------------------\ */ /* | Erzeugung der Ur-RNS | */ /* \------------------------/ */ int orgLen; /* L„nge der Ur-RNS */ double orgHelixPart; /* Anteil Helix-Bereich */ static int rnsCreated; /* Anzahl bisher erzeugter RNS-Sequenzen */ /* /------------\ */ /* | Mutation | */ /* \------------/ */ int timeSteps; /* Anzahl Zeitschritte */ Frand mrpb_Init, /* Initialisierungsfunktion fr 'mutationRatePerBase' */ l2hrpb_Init, /* Initialisierungsfunktion fr 'loop2helixRatePerBase' */ pairPart, /* Anteil paarender Helix-Bindungen */ mutationRate, /* Mutationsrate */ splitRate, /* Spaltungsrate */ helixGcDruck, /* G-C-Druck im Helix-Bereich */ helixGcRate, /* Verh„ltnis G:C im Helix-Bereich */ helixAtRate, /* Verh„ltnis A:T im Helix-Bereich */ loopGcDruck, /* G-C-Druck im Loop-Bereich */ loopGcRate, /* Verh„ltnis G:C im Loop-Bereich */ loopAtRate; /* Verh„ltnis A:T im Loop-Bereich */ double transitionRate, /* Transition-Rate */ transversionRate; /* Transversion-Rate */ static double *mutationRatePerBase, /* positionsspez. Mutationsrate (wird nur einmal bestimmt und bleibt dann konstant) */ *loop2helixRatePerBase; /* positionsspez. Rate fr Wechsel Loop-Base in Helix-Base und vv. (wird nur einmal bestimmt und bleibt dann konstant) */ static int mrpb_anz, /* Anzahl Positionen */ mrpb_allocated, /* wirklich Gr”áe des Arrays */ l2hrpb_anz, /* Anzahl Positionen */ l2hrpb_allocated; /* wirklich Gr”áe des Arrays */ static DoubleProb helixMutationMatrix, /* Mutationsmatrix fr Helix-Bereiche */ loopMutationMatrix; /* Mutationsmatrix fr Loop-Bereiche */ /* /----------------------\ */ /* | Ausgabefilepointer | */ /* \----------------------/ */ FILE *topo, /* Topologie */ *seq; /* Sequenzen */ /* /-------------\ */ /* | Sonstiges | */ /* \-------------/ */ static int minDepth = INT_MAX, /* minimale Tiefe (Astanzahl) der Blattspitzen */ maxDepth = INT_MIN; /* maximale Tiefe der Blattspitzen */ /* -------------------------------------------------------------------------- */ /* void dumpDepths(void) */ /* ------------------------------------------------------ 24.05.95 22.27 ---- */ void dumpDepths(void) { printf("Minimale Baumtiefe = %i\n", minDepth); printf("Maximale Baumtiefe = %i\n", maxDepth); } /* -------------------------------------------------------------------------- */ /* static void dumpRNS(RNS rns) */ /* ------------------------------------------------------ 26.05.95 11.29 ---- */ static void dumpRNS(RNS rns) { int b, b1, b2; static int cleared, h_cnt[BASETYPES+1][BASETYPES+1], l_cnt[BASETYPES+1], loop, helix; if (!cleared) { for (b1 = 0; b1<(BASETYPES+1); b1++) { for (b2 = 0; b2<(BASETYPES+1); b2++) h_cnt[b1][b2] = 0; l_cnt[b1] = 0; } loop = 0; helix = 0; cleared = 1; } if (rns) { for (b = 0; b<(rns->bases); b++) { char base = rns->base[b]; if (isHelical(base)) { int bt1 = char2BaseType(base), bt2 = char2BaseType(rns->base[b+1]); h_cnt[bt1][bt2]++; helix++; b++; } else { int bt = char2BaseType(base); l_cnt[bt]++; loop++; } } } else { printf("Helix-Basenpaare = %i\n" "Loop-Basen = %i\n" "Helix:Loop = %f\n", helix, loop, (double)helix/(double)loop); { int gc = h_cnt[BASE_C][BASE_G]+h_cnt[BASE_G][BASE_C], at = h_cnt[BASE_A][BASE_T]+h_cnt[BASE_T][BASE_A], paarend = gc+at; printf("GC-Paare = %i\n" "AT-Paare = %i\n" "Paare:Helix-Bindungen = %f\n" "GC-Paare:Paare = %f\n", gc, at, (double)paarend/(double)helix, (double)gc/(double)paarend); } printf("\n"); } } /* -------------------------------------------------------------------------- */ /* static void initBaseSpecificProbs(int bases) */ /* ------------------------------------------------------ 24.05.95 12.51 ---- */ static void initBaseSpecificProbs(int bases) { int b; mrpb_anz = bases; mrpb_allocated = bases; mutationRatePerBase = malloc(bases*sizeof(double)); l2hrpb_anz = bases; l2hrpb_allocated = bases; loop2helixRatePerBase = malloc(bases*sizeof(double)); if (!mutationRatePerBase || !loop2helixRatePerBase) outOfMemory(); for (b = 0; bbases = orgLen; */ /* rns->base = malloc(sizeof(*(rns->base))*orgLen); */ rns->bases = len; rns->base = malloc(sizeof(*(rns->base))*len); if (!rns->base) outOfMemory(); return rns; } /* -------------------------------------------------------------------------- */ /* RNS createOriginRNS(void) */ /* ------------------------------------------------------ 14.05.95 14:54 ---- */ /* */ /* Erzeugt eine Ur-RNS */ /* */ RNS createOriginRNS(void) { RNS rns = allocRNS(orgLen); int helixLen = orgLen*orgHelixPart, l; str base = rns->base; printf("Generating origin species..\n"); initBaseSpecificProbs(orgLen); rns->laufNr = rnsCreated++; /* /------------------\ */ /* | Helix erzeugen | im Loop-Bereich */ /* \------------------/ */ if (helixLen%1) helixLen--; /* muá gerade L„nge haben, da nur Paare! */ assert(helixLen<=orgLen); rns->helix = helixLen/2; rns->pairing = 0; { DoubleProb orgHelixProb; Spreading s; int b1, b2; double actPairPart = getFrand(pairPart), actHelixGcDruck = getFrand(helixGcDruck), actHelixGcRate = getFrand(helixGcRate), actHelixAtRate = getFrand(helixAtRate), nonPairProb = (1.0-actPairPart)/2.0; for (b1 = 0; b1pairing += isPairing(B1, B2); } freeSpreading(s); } /* /-----------------\ */ /* | Loop erzeugen | */ /* \-----------------/ */ { SingleProb orgLoopProb; Spreading s; double actLoopGcDruck = getFrand(loopGcDruck), actLoopGcRate = getFrand(loopGcRate), actLoopAtRate = getFrand(loopAtRate); orgLoopProb[BASE_A] = (1.0-actLoopGcDruck)*actLoopAtRate; orgLoopProb[BASE_C] = actLoopGcDruck*(1.0-actLoopGcRate); orgLoopProb[BASE_G] = actLoopGcDruck*actLoopGcRate; orgLoopProb[BASE_T] = (1.0-actLoopGcDruck)*(1.0-actLoopAtRate); s = newSpreading((double*)orgLoopProb, BASETYPES); for (; lbase); free(rns); } /* -------------------------------------------------------------------------- */ /* static RNS dupRNS(RNS rns) */ /* ------------------------------------------------------ 20.05.95 20.32 ---- */ static RNS dupRNS(RNS rns) { RNS neu = malloc(sizeof(*rns)); if (!neu) outOfMemory(); memcpy(neu, rns, sizeof(*rns)); neu->base = malloc(rns->bases*sizeof(*(neu->base))); memcpy(neu->base, rns->base, rns->bases); neu->laufNr = rnsCreated++; return neu; } /* -------------------------------------------------------------------------- */ /* static void dumpDoubleProb(double *d, int anz) */ /* ------------------------------------------------------ 25.05.95 01.31 ---- */ /*static void dumpDoubleProb(double *d, int anz) */ /*{ */ /* while (anz--) printf("%-10f", *d++); */ /* printf("\n\n"); */ /*} */ /* -------------------------------------------------------------------------- */ /* static void calcMutationMatrix(DoubleProb mutationMatrix, double mu... */ /* ------------------------------------------------------ 24.05.95 13.58 ---- */ static void calcMutationMatrix(DoubleProb mutationMatrix, double muteRate, double gcDruck, double gcRate, double atRate, double *pairProb) { double k = transitionRate/transversionRate, fa = (1.0-gcDruck)*atRate, fc = gcDruck*(1.0-gcRate), fg = gcDruck*gcRate, ft = (1.0-gcDruck)*(1.0-atRate), bfa = transversionRate*fa, bfc = transversionRate*fc, bfg = transversionRate*fg, bft = transversionRate*ft, kag = k/(fa+fg), kct = k/(fc+ft); /* sa = (kag+3.0)*bfa, // Summe der "mutierenden" Positionen jeder Zeile */ /* sc = (kct+3.0)*bfc, */ /* sg = (kag+3.0)*bfg, */ /* st = (kct+3.0)*bft; */ /* Auf aktuelle Mutationsrate normieren */ /* bfa = bfa*muteRate/sa; */ /* bfc = bfc*muteRate/sc; */ /* bfg = bfg*muteRate/sg; */ /* bft = bft*muteRate/st; */ /* printf("bfa=%f\n", bfa); */ /* printf("bfc=%f\n", bfc); */ /* printf("bfg=%f\n", bfg); */ /* printf("bft=%f\n", bft); */ /* Matrix besetzen */ mutationMatrix[BASE_A][BASE_A] = 1.0-(kag+3.0)*bfa; mutationMatrix[BASE_C][BASE_A] = bfa; mutationMatrix[BASE_G][BASE_A] = (kag+1.0)*bfa; mutationMatrix[BASE_T][BASE_A] = bfa; mutationMatrix[BASE_A][BASE_C] = bfc; mutationMatrix[BASE_C][BASE_C] = 1.0-(kct+3.0)*bfc; mutationMatrix[BASE_G][BASE_C] = bfc; mutationMatrix[BASE_T][BASE_C] = (kct+1.0)*bfc; mutationMatrix[BASE_A][BASE_G] = (kag+1.0)*bfg; mutationMatrix[BASE_C][BASE_G] = bfg; mutationMatrix[BASE_G][BASE_G] = 1.0-(kag+3.0)*bfg; mutationMatrix[BASE_T][BASE_G] = bfg; mutationMatrix[BASE_A][BASE_T] = bft; mutationMatrix[BASE_C][BASE_T] = (kct+1.0)*bft; mutationMatrix[BASE_G][BASE_T] = bft; mutationMatrix[BASE_T][BASE_T] = 1.0-(kct+3.0)*bft; /* { */ /* int von, // Matrix ausgeben */ /* nach; */ /* */ /* printf(" von %c von %c von %c von %c \n", */ /* helixBaseChar[0], */ /* helixBaseChar[1], */ /* helixBaseChar[2], */ /* helixBaseChar[3] ); */ /* */ /* for (nach = BASE_A; nach<=BASE_T; nach++) */ /* { */ /* double sum = 0.0; */ /* */ /* printf("nach %c ", helixBaseChar[nach]); */ /* */ /* for (von = BASE_A; von<=BASE_T; von++) */ /* { */ /* printf("%-10f", mutationMatrix[von][nach]); */ /* sum += mutationMatrix[von][nach]; */ /* } */ /* */ /* printf(" sum = %-10f\n", sum); */ /* } */ /* */ /* printf("\n"); */ /* } */ if (pairProb) /* soll pairProb berechnet werden? */ { double mutatesTo[BASETYPES], freq[BASETYPES]; /* H„ufigkeit der einzelnen Basen */ int von, nach; freq[BASE_A] = fa; freq[BASE_C] = fc; freq[BASE_G] = fg; freq[BASE_T] = ft; for (nach = 0; nachsteps) splitInSteps = steps; assert(splitInSteps>=1); } /* /----------------------------\ */ /* | Zeitschritte durchlaufen | */ /* \----------------------------/ */ for (s = 0; sbases); ) { char base = rns->base[b]; if (!isDeleted(base)) /* Deletes ignorieren */ { /* /---------------------\ */ /* | Helicale Bereiche | */ /* \---------------------/ */ if (isHelical(base)) { int trials = pairTrials, mut1 = randProb()base[b+1]; assert(isHelical(base2)); if (mut1 || mut2) { int bt1 = char2BaseType(base), bt2 = char2BaseType(base2); if (isPairing(bt1, bt2)) { rns->pairing--; } while (trials--) { if (mut1) { if (mut2) /* beide Basen mutieren */ { bt1 = spreadRand(s_helix[bt1]); bt2 = spreadRand(s_helix[bt2]); } else /* nur 1.Base mutieren */ { bt1 = spreadRand(s_helix[bt1]); } } else /* nur 2.Base mutieren */ { bt2 = spreadRand(s_helix[bt2]); } if (isPairing(bt1, bt2)) /* paarend? ja->abbrechen */ { rns->pairing++; break; } } rns->base[b] = helixBaseChar[bt1]; rns->base[b+1] = helixBaseChar[bt2]; } b++; } /* /-----------------\ */ /* | Loop-Bereiche | */ /* \-----------------/ */ else { double mutationProb = actMutationRate*mutationRatePerBase[b]; if (randProb()base[b] = loopBaseChar[spreadRand(s_loop[char2BaseType(base)])]; } } } b++; } for (b = 0; bno%i son of no%i\n", origin->laufNr, no_of_father); } else { fprintf(seq, ">no%i father of all species\n", origin->laufNr); } no_of_father = origin->laufNr; /* now i'm the father */ for (x = 0; x<(origin->bases); x++) fputc(origin->base[x], seq); fputc('\n', seq); if (steps) /* Species splitten! */ { double gcDruck_val = helixGcDruck->val, /* Frand-Werte merken */ pairPart_val = pairPart->val, mutationRate_val = mutationRate->val, splitRate_val = splitRate->val; /* indent(depth); */ fprintf(topo, "(no%i:%f,\n", origin->laufNr, age); { RNS left = dupRNS(origin); /* linker Sohn */ mutateRNS(no_of_father, left, steps, depth); freeRNS(left); } fputs(",\n", topo); helixGcDruck->val = gcDruck_val; /* Frand-Werte wiederherstellen */ pairPart->val = pairPart_val; mutationRate->val = mutationRate_val; splitRate->val = splitRate_val; { RNS right = dupRNS(origin); /* rechter Sohn */ mutateRNS(no_of_father, right, steps, depth); freeRNS(right); } fputc(')', topo); } else /* Baumspitze */ { if (depth>maxDepth) maxDepth = depth; else if (depthlaufNr, age); if ((origin->laufNr%100) == 0) { printf("generated Species: %i\n", origin->laufNr); } } if (age==0.0) dumpRNS(NULL); } ./arbsrc_9167/TREEGEN/rns.h0000644012664100000130000000326011440742777015221 0ustar arb_buildcoders#ifndef __RNS_H #define __RNS_H #ifndef __DEFINES_H #include "defines.h" #endif #ifndef __BASE_H #include "base.h" #endif #ifndef __SIMCFG_H #include "simcfg.h" #endif #ifndef __FRAND_H #include "frand.h" #endif typedef double SingleProb[BASETYPES]; typedef double DoubleProb[BASETYPES][BASETYPES]; /* /------------------------\ */ /* | Erzeugung der Ur-RNS | */ /* \------------------------/ */ extern int orgLen; extern double orgHelixPart; /* /------------\ */ /* | Mutation | */ /* \------------/ */ extern int timeSteps; extern Frand mrpb_Init, l2hrpb_Init, pairPart, mutationRate, splitRate, helixGcDruck, helixGcRate, helixAtRate, loopGcDruck, loopGcRate, loopAtRate; extern double transitionRate, transversionRate; /* /----------------------\ */ /* | Ausgabefilepointer | */ /* \----------------------/ */ extern FILE *topo, *seq; /* /----------------\ */ /* | Eine Species | */ /* \----------------/ */ typedef struct S_RNS { char *base; /* Array der Basen */ int bases, /* Anzahl Basen */ helix, /* Anzahl Basenpaare in helikalen Bereichen */ pairing, /* Anzahl paarender Basenpaare (G-C und A-T) */ laufNr; /* erh”ht sich mit jeder neuen RNS (fr Namensvergabe) */ } *RNS; #ifdef __cplusplus extern "C" { #endif RNS createOriginRNS (void); void freeRNS (RNS rns); void splitRNS (int no_of_father, RNS origin, double age, int steps, int depth); void dumpDepths (void); #ifdef __cplusplus } #endif #endif ./arbsrc_9167/TREEGEN/sim.c0000644012664100000130000000254611440742777015210 0ustar arb_buildcoders#ifndef __RNS_H #include "rns.h" #endif #ifndef __SIMCFG_H #include "simcfg.h" #endif #ifndef __TIME_H #include #endif #ifndef __STDLIB_H #include #endif #ifndef __BASE_H #include "base.h" #endif /* --------------------------------------------------------------------------- */ /* int main(int argc, str argv[]) */ /* ------------------------------------------------------ 14.05.95 11.14 ----- */ int main(int argc, str argv[]) { RNS origin; if (argc!=4) error("Usage: arb_treegen \n" "An evolution simulator - (C) 1995 by Ralf Westram\n" "\n" "Environment specification is read from (will be generated if missing)\n" "\n" " file were the simulated phylogeny is saved to (as tree)\n" " file were the simulated species are saved to (as sequences)\n" ); srand((unsigned)time(NULL)); initBaseLookups(); readSimCfg(argv[1]); origin = createOriginRNS(); topo = fopen(argv[2], "w"); if (!topo) { perror(argv[2]); exit(1); } seq = fopen(argv[3], "w"); if (!seq) { perror(argv[3]); exit(1); } splitRNS(-1, origin, 0.0, timeSteps, 0); dumpDepths(); fclose(seq); fclose(topo); free(origin); return 0; } ./arbsrc_9167/TREEGEN/simcfg.c0000644012664100000130000001310711440742777015663 0ustar arb_buildcoders#include "simcfg.h" #include "readcfg.h" #include #include #include #include "rns.h" static struct S_cfgLine cfg_lines[]; /* -------------------------------------------------------------------------- */ /* static int decodeFrand(str setting, void *frandPtr) */ /* ------------------------------------------------------ 20.05.95 18.19 ---- */ static int decodeFrand(str setting, void *frandPtr) { str medium = strtok(setting, " "), low = strtok(NULL, " "), high = strtok(NULL, " "); if (medium && low && high) { double med_val = atof(medium), low_val = atof(low), high_val = atof(high); if (med_val<=0.0 || med_val>=1.0) { setCfgError("The average value has to be BETWEEN 0.0 and 1.0"); return 0; } else { double change = fabs(low_val)+fabs(high_val); if (change>=med_val || change>=(1.0-med_val)) { setCfgError("The sum of low and high frequent part is too big and " "reaches one of the borders of the allowed range ]0.0, 1.1["); return 0; } } *((Frand*)frandPtr) = initFrand(med_val, low_val, high_val); return 1; } setCfgError("Syntax is: "); return 0; } /* -------------------------------------------------------------------------- */ /* static int decodeInt(str setting, void *intPtr) */ /* ------------------------------------------------------ 20.05.95 12.33 ---- */ static int decodeInt(str setting, void *intPtr) { *((int*)intPtr) = atoi(setting); return 1; } /* -------------------------------------------------------------------------- */ /* static int decodeProb(str setting, void *doublePtr) */ /* ------------------------------------------------------ 17.05.95 21.55 ---- */ static int decodeProb(str setting, void *doublePtr) { double *dptr = (double*)doublePtr; *dptr = atof(setting); if (*dptr<0.0 || *dptr>1.0) { setCfgError("Probability has to be between 0.0 and 1.0"); return 0; } return 1; } /* -------------------------------------------------------------------------- */ /* void readSimCfg(cstr fname) */ /* ------------------------------------------------------ 17.05.95 22:10 ---- */ void readSimCfg(cstr fname) { int lenTeiler, stepTeiler; if (!readCfg(fname, cfg_lines)) errorf("Error reading config '%s'", fname); lenTeiler = (int)sqrt(orgLen); stepTeiler = (int)sqrt(timeSteps); mrpb_Init->teiler = lenTeiler; l2hrpb_Init->teiler = lenTeiler; pairPart->teiler = stepTeiler; mutationRate->teiler = stepTeiler; splitRate->teiler = stepTeiler; helixGcDruck->teiler = stepTeiler; helixGcRate->teiler = stepTeiler; helixAtRate->teiler = stepTeiler; loopGcDruck->teiler = stepTeiler; loopGcRate->teiler = stepTeiler; loopAtRate->teiler = stepTeiler; } static struct S_cfgLine cfg_lines[] = { /* /---------------------------------------\ */ /* | Nur zur Initialisierung notwendig : | */ /* \---------------------------------------/ */ { "OriginLen", "3000", decodeInt, &orgLen, "Number of base positions in origin species" }, { "OriginHelixPart", "0.5", decodeProb, &orgHelixPart, "size of helical part in origin species (0.5 means 50% helix and 50% loop regions)" }, { "MutRatePerBase", "0.5 0.01 0.4", decodeFrand, &mrpb_Init, "mutation rate per base position (used for origin only)" }, { "Loop2HelixRate", "0.2 0.01 0.1", decodeFrand, &l2hrpb_Init, "loop<->helix conversion rate per base position (used for origin only)" }, { "TimeSteps", "50", decodeInt, &timeSteps, "number of time steps" }, { "TransitionRate", "0.5", decodeProb, &transitionRate, "transition rate" }, { "TransversionRate", "0.5", decodeProb, &transversionRate, "transversion rate" }, /* /-----------------------------------------------------------------\ */ /* | Parameter, welche sich w„hrend des Baumdurchlaufs ver„ndern : | */ /* \-----------------------------------------------------------------/ */ { "PairPart", "0.85 0.1 0.01", decodeFrand, &pairPart, "part of pairing helix positions (mean value, low frequent part, high frequent part)" }, { "MutationRate", "0.01 0.005 0.001", decodeFrand, &mutationRate, "mutation rate" }, { "SplitProb", "0.2 0.1 0.01", decodeFrand, &splitRate, "split rate (split into two species)" }, { "Helix-GC-Pressure", "0.72 0.11 0.01", decodeFrand, &helixGcDruck, "part of G-C bonds in helical regions" }, { "Helix-GC-Rate", "0.5 0.001 0.001", decodeFrand, &helixGcRate, "G:C rate in helical regions" }, { "Helix-AT-Rate", "0.5 0.001 0.001", decodeFrand, &helixAtRate, "A:T rate in helical regions" }, { "Loop-GC-Pressure", "0.62 0.05 0.01", decodeFrand, &loopGcDruck, "part of G-C bonds in loop regions" }, { "Loop-GC-Rate", "0.5 0.001 0.001", decodeFrand, &loopGcRate, "G:C rate in loop regions" }, { "Loop-AT-Rate", "0.5 0.001 0.001", decodeFrand, &loopAtRate, "A:T rate in loop regions" }, /* { "", "", decode, &, "" }, */ { NULL, 0, 0, 0, 0 } }; ./arbsrc_9167/TREEGEN/simcfg.h0000644012664100000130000000031711440742777015667 0ustar arb_buildcoders#ifndef __SIMCFG_H #define __SIMCFG_H #ifndef __DEFINES_H #include "defines.h" #endif #ifdef __cplusplus extern "C" { #endif void readSimCfg (cstr fname); #ifdef __cplusplus } #endif #endif ./arbsrc_9167/TREEGEN/spreadin.c0000644012664100000130000000407311440742777016222 0ustar arb_buildcoders#define __MODUL__ #include "spreadin.h" #include /* -------------------------------------------------------------------------- */ /* Spreading newSpreading(double *value, int values) */ /* ------------------------------------------------------ 20.05.95 16:42 ---- */ Spreading newSpreading(double *value, int values) { Spreading s; int v; double val = 0.0, sum = 0.0; s = malloc(sizeof(struct S_Spreading)); if (!s) outOfMemory(); assert(values>0); s->values = values; s->border = malloc(sizeof(*(s->border))*values); if (!s->border) outOfMemory(); for (v = 0; vborder[v] = (val/sum)*RAND_MAX; } s->border[values-1] = RAND_MAX; /* for (v = 0; v %i\n", value[v], s->border[v]); */ /* printf("---\n"); */ return s; } /* -------------------------------------------------------------------------- */ /* void freeSpreading(Spreading s) */ /* ------------------------------------------------------ 20.05.95 16:42 ---- */ void freeSpreading(Spreading s) { free(s->border); free(s); } /* -------------------------------------------------------------------------- */ /* int spreadRand(Spreading s) */ /* ------------------------------------------------------ 20.05.95 16:42 ---- */ int spreadRand(Spreading s) { int val = rand(), l = 0, h = s->values-1, m; while (1) { m = (l+h)/2; if (val<=s->border[m]) { if (m==0 || val>s->border[m-1]) break; h = m; } else { if (m==(h-1)) { if (val<=s->border[h]) { m = h; break; } } l = m; } } assert(m>=0 && mvalues); assert(val<=s->border[m]); assert(m==0 || val>=s->border[m-1]); return m; } ./arbsrc_9167/TREEGEN/spreadin.h0000644012664100000130000000167511440742777016234 0ustar arb_buildcoders#ifndef __SPREADIN_H #define __SPREADIN_H #ifndef __DEFINES_H #include "defines.h" #endif /* Ein Spreading ist eine Tabelle von Integerwerten, welche den Bereich */ /* 0 bis RAND_MAX-1 abdeckt. */ /* */ /* Aus einer Wahrscheinlichkeitstabelle (z.B. loopProb oder helixProb) */ /* wird hier eine Integertabelle mit Grenzwerten erzeugt um Flieskommarechnung */ /* zu umgehen. */ /* */ /* Die Funktion spreadRand() liefert analog zu den Wahrscheinlichkeiten in */ /* der Wahrscheinlichkeitstabelle verteilte Werte zwischen 0 und der */ /* Anzahl der EIntr„ge in der Wahrscheinlichkeitstabelle. */ typedef struct S_Spreading { int values, /* Anzahl Werte */ *border; /* Die Grenzwerte */ } *Spreading; #ifdef __cplusplus extern "C" { #endif Spreading newSpreading (double *value, int values); void freeSpreading (Spreading s); int spreadRand (Spreading s); #ifdef __cplusplus } #endif #endif ./arbsrc_9167/util/arb_check_build_env.pl0000755012664100000130000000476611440721062020416 0ustar arb_buildcoders#!/usr/bin/perl # # This script checks whether all tools needed for ARB compilation are found in path. use strict; use warnings; my @commands = ( 'bash', 'cat', 'chmod', 'cp', 'find', 'grep', 'gzip', 'ln', 'ls', 'lynx', 'mkdir', 'mv', 'perl', 'rm', 'xmllint', 'xsltproc', 'sed', 'sort', 'tar', 'test', 'touch', 'uniq', ); sub findPath($\@) { my ($command,$path_dirs_r) = @_; my ($found,$executable) = (undef,undef); if (-e $command) { $found = $command; if (-X $command) { $executable = $command; } } if (not defined $executable) { foreach (@$path_dirs_r) { my $full = $_.'/'.$command; if (-e $full) { $found = $full; if (-X $full) { $executable = $full; } } } } return ($found,$executable); } sub main() { foreach (@ARGV) { s/ .*$//og; # skip anything from first space to EOL push @commands, $_; } { my %commands = map { $_ => 1; } @commands; @commands = sort keys %commands; } my $path = $ENV{PATH}; if (not defined $path) { die "Environmentvariable 'PATH' is undefined"; } my @path_dirs = split(':',$path); my @missing = (); my @notExecutable = (); foreach (@commands) { my ($found,$executable) = findPath($_,@path_dirs); if (not defined $executable) { # not ok if (defined $found) { push @notExecutable, $_; } else { push @missing, $_; } } } my $missing = scalar(@missing); my $notExecutable = scalar(@notExecutable); if (($missing+$notExecutable)==0) { print "All tools needed for ARB compilation have been located.\n"; } else { my $missingList = join(', ', @missing); my $notExecutableList = join(', ', @notExecutable); my $msg = "The following tools are missing:\n"; if ($missing>0) { $msg .= " $missingList\n"; } if ($notExecutable>0) { $msg .= " $notExecutableList (found but not executable)\n"; } $msg .= "These tools are vital to compile ARB, so\n"; $msg .= "please ensure that these tools are installed and that either\n"; $msg .= "- their installation directory is in PATH or\n"; $msg .= "- they are linked into the PATH\n\n"; die $msg; } } main(); ./arbsrc_9167/util/arb_compress0000755012664100000130000000127212050705370016522 0ustar arb_buildcoders rm -f arb.tgz tar cfvo - demo.arb \ arb_install.sh \ arb_*.txt \ `( find bin ! -type d; \ find PERL_SCRIPTS ! -type d; \ find SH ! -type d; \ find GDEHELP -name "ARB_GDEmenus"; \ find GDEHELP/DATA_FILES ! -type d; \ find lib ! -type d | grep -v "/pts/") \ | grep -v "^.svn/" \ | grep -v "^CVS/" \ | grep -v "/.svn/" \ | grep -v "/CVS/" \ | grep -v "/unused/" \ | grep -v "ChangeLog$" \ | grep -v 'lib\/nas\/names.dat$' \ | grep -v '/\..*$' \ | grep -v '/#[^/]*$' \ ` \ |gzip >arb.tgz ls -al arb.tgz ./arbsrc_9167/util/arb_save0000755012664100000130000000213411237014133015617 0ustar arb_buildcoders#!/bin/bash NAME=`date '+arbsrc_%Y_%m_%d__%H_%M.tgz'` dump_revision() { ./SOURCE_TOOLS/build_info.pl && \ grep ARB_SVN_REVISION ./TEMPLATES/svn_revision.h | \ perl -ne 'if (/ARB_SVN_REVISION\s+\"(.*)\"/) { $_=$1; s/:/_/; print $_; }' } REVISION=`dump_revision` REVISION_DIR=arbsrc_$REVISION echo REVISION_DIR=$REVISION_DIR rm_noerr() { test -f $1 && rm -f $1 } cleanup() { # rm_noerr arbsrc.lst rm_noerr arbsrc.lst.tmp test -L $REVISION_DIR && rm $REVISION_DIR true } gen_list() { util/arb_srclst.pl $* > arbsrc.lst.tmp || \ ( echo "Failed to build arbsrc.lst" ; echo "To save manually use 'make save2'"; false ) } sort_list() { sort < arbsrc.lst.tmp | perl -pne "s/^\./.\/$REVISION_DIR/g;" > arbsrc.lst } gen_tarball() { ln -s . $REVISION_DIR && \ tar -zcf $NAME --files-from=arbsrc.lst && \ ( rm -f arbsrc.tgz ; \ ln -s $NAME arbsrc.tgz ; \ true ) } save() { gen_list $* && sort_list && gen_tarball } (save $* && cleanup && (ls -alG -rt arbsrc*;true)) || \ (cleanup;echo "Failed to create source tarball";false) ./arbsrc_9167/util/arb_srclst.pl0000755012664100000130000003656611656765614016653 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; my $debug_matching = 0; my $ignore_unknown = 0; # ------------------------------------------------------------ # skipped_directories and files inside are never examined: my @skipped_directories = ( qr/_GEN$/o, qr/_COM\/GEN[CH]$/o, qr/_COM\/O$/o, qr/\/.+\/bin$/o, qr/\/HELP_SOURCE\/Xml$/o, qr/\/PERL2ARB\/blib$/o, qr/^\.\/ARB_SOURCE_DOC/o, qr/^\.\/INCLUDE$/o, qr/^\.\/PERL5$/o, qr/^\.\/lib\/pts$/o, qr/^\.\/lib\/help$/o, qr/^\.\/lib\/help_html$/o, qr/^\.\/ARB_SOURCE_DOC/o, qr/^\.\/MAKEBIN$/o, qr/^\.\/LIBLINK$/o, qr/\/ignore\./o, ); # first used/skipped match wins (exception see @3 below) my %used_files = map { $_ => 1; } ( '!BRANCH_STATE', 'demo.arb', 'export2sub', 'Doxyfile', 'Makefile', 'Makefile.org', 'AUTHORS', 'COPYING', ); my %skipped_files = map { $_ => 1; } ( '.cvsignore', '.build.lst', '.depends', 'config.makefile', 'ChangeLog', 'ARB_GDEmenus', 'helpfiles.lst', 'nt_date.h', 'TAGS', ); my %used_extensions = map { $_ => 1; } ( 'c', 'cpp', 'cxx', 'h', 'hpp', 'hxx', 'f', 'pl', 'pm', 'PL', 'cgi', 'java', 'manifest', 'inc', 'sh', 'aisc', 'pa', 'template', 'default', 'script', 'txt', 'doc', 'ps', 'pdf', 'bitmap', 'source', 'menu', 'head', 'header', 'footer', 'dtd', 'xsl', 'makefile', ); my %skipped_extensions = map { $_ => 1; } ( 'o', 'so', 'a', 'genmenu', 'class', 'jar', 'stamp', 'list', 'log', 'swp', 'bak', 'old', 'last_gcc', 'yml', 'json', # perl2arb ); # used_when_matches, skipped_when_matches and used_when_matchesFull are only tested, # if above filters did not match: my @used_when_matches = ( qr/^arb_.*\.txt$/o, qr/license/io, qr/disclaimer/io, qr/readme$/io, qr/unused.*source.*\.tgz$/io, ); my @skipped_when_matches = ( qr/^arbsrc\.lst$/o, qr/^arbsrc\.lst\.tmp$/o, qr/^arbsrc.*\.tgz$/o, qr/\#.*\#$/o, qr/\.\#.*$/o, qr/.*~$/o, # backups ); my @used_when_matchesFull = ( qr/\/EISPACK\/rg\.html$/o, qr/\/CLUSTALW\/.*$/o, qr/\/HGL_SRC\/plot\.icon$/o, qr/\/PHYLIP\/doc\//o, qr/\/GDE\/.*\.html$/o, qr/GDE\/.*\/Makefile\.[^\/]+$/io, qr/\/GDEHELP\/GDE.*/o, qr/\/GDEHELP\/Makefile\.helpfiles/o, qr/\/GDEHELP\/DATA_FILES/o, qr/\/GDEHELP\/FASTA/o, qr/\/GDEHELP\/HELP_PLAIN/o, qr/\/GDEHELP\/HELP_WRITTEN/o, qr/\/HEADERLIBS\/.*COPYING$/o, qr/\/HEADERLIBS\/.*\.tgz$/o, qr/\/HELP_SOURCE\/.*\.gif$/o, qr/\/HELP_SOURCE\/oldhelp\/.*\.hlp$/o, qr/\/HELP_SOURCE\/oldhelp\/.*\.(ps|pdf)\.gz$/o, qr/\/TREEPUZZLE\/.*\.gif$/o, qr/\/PERL2ARB\/.*\.html$/o, qr/\/PERL2ARB\/typemap$/o, qr/\/PERL2ARB\/Makefile.main$/o, qr/\/PROBE_SERVER\/.*\.conf$/o, qr/\/READSEQ\/Formats$/o, qr/\/READSEQ\/.*\.help$/o, qr/\/SH\/[^\/\.]*$/o, qr/\/SOURCE_TOOLS\//o, qr/^\.\/etc\//o, qr/^\.\/lib\/arb_tcp_org\.dat$/o, qr/^\.\/lib\/config\.[^\.]+$/io, qr/^\.\/lib\/arb_default\/.*\.arb$/o, qr/^\.\/lib\/export\/.*\.eft$/o, qr/^\.\/lib\/import\/.*\.ift2?$/o, qr/^\.\/lib\/inputMasks\/.*\.mask$/o, qr/^\.\/lib\/macros\/.*\.amc$/o, qr/^\.\/lib\/nas\/names\.dat\.template$/o, qr/^\.\/lib\/pictures\/.*\.(fig|vfont)$/o, qr/^\.\/lib\/pixmaps\/.*\.xpm$/o, qr/^\.\/lib\/rna3d\/.*\.(pdb|data)$/o, qr/^\.\/lib\/rna3d\/images\/.*\.png$/o, qr/^\.\/lib\/sellists\/.*\.sellst$/o, qr/^\.\/lib\/protein_2nd_structure\/.*\.dat$/o, qr/^\.\/lib\/submit\//o, qr/^\.\/util\/arb_.*$/o, qr/^\.\/util\/config\..*$/o, ); # skipped_when_matchesFull and forced_when_matchesFull are always tested! (@3) my @skipped_when_matchesFull = ( qr/date\.xsl$/o, qr/\/genhelp\/.*\.hlp$/o, qr/^\.\/GDE\/CORE\/functions.h$/o, qr/^\.\/PERL2ARB\/.*\.h$/o, qr/^\.\/PERL2ARB\/ARB\.xs$/o, qr/^\.\/PERL2ARB\/ARB\.c$/o, qr/^\.\/PERL2ARB\/ARB\.bs$/o, qr/^\.\/PERL2ARB\/pm_to_blib$/o, qr/^\.\/PERL2ARB\/Makefile$/o, qr/^\.\/PERL2ARB\/Makefile.PL$/o, qr/^\.\/PERL2ARB\/perlmain.c$/o, qr/^\.\/TEMPLATES\/arb_build\.h$/o, qr/^\.\/lib\/ARB\.pm$/o, qr/^\.\/lib\/nas\/names.*\.dat$/o, qr/^\.\/lib\/arb_tcp\.dat$/o, qr/^\.\/arb.*\.tgz$/o, qr/^\.\/SOURCE_TOOLS\/valgrind2grep\.lst$/o, qr/\/lib\/addlibs\/(lib.*\.so\..*)$/o, ); my @forced_when_matchesFull = ( qr/\/PROBE_WEB\/SERVER\/.*\.jar$/o, ); # files that are even packed when generated and not in VC my @pack_fullGenerated = ( qr/\/TEMPLATES\/svn_revision\.h$/o, ); # ------------------------------------------------------------ # sanity checks foreach (keys %used_extensions) { if (exists $skipped_extensions{$_}) { die "'$_' in \$used_extensions and \$skipped_extensions"; } } foreach (keys %used_files) { if (exists $skipped_files{$_}) { die "'$_' in \$used_files and \$skipped_files"; } } # ------------------------------------------------------------ sub useDir($) { my ($dir) = @_; if ($dir =~ /.svn$/o) { return 0; } if ($dir =~ /CVS$/o) { return 0; } foreach (@skipped_directories) { if ($dir =~ $_) { return 0; } } return 1; } sub matchingExpr($\@) { # return 0 if no regexp matched, return index+1 otherwise my ($str,$regexp_arr_r) = @_; my $regexps = scalar(@$regexp_arr_r); for (my $r=0; $r<$regexps; $r++) { my $reg = $$regexp_arr_r[$r]; if ($str =~ $reg) { return $r+1; } } return 0; } sub useIfMatching($\@\$) { my ($str,$regexp_arr_r,$use_r) = @_; my $matches = matchingExpr($str,@$regexp_arr_r); if ($matches>0) { if ($debug_matching!=0) { print "'$str' matches '".$$regexp_arr_r[$matches-1]."' => use!\n"; } $$use_r = 1; } } sub dontUseIfMatching($\@\$) { my ($str,$regexp_arr_r,$use_r) = @_; my $matches = matchingExpr($str,@$regexp_arr_r); if ($matches>0) { if ($debug_matching!=0) { print "'$str' matches '".$$regexp_arr_r[$matches-1]."' => don't use!\n"; } $$use_r = 0; } } sub useFile($$) { my ($dir,$file) = @_; my $use = undef; if (exists $used_files{$file}) { $use = 1; } elsif (exists $skipped_files{$file}) { $use = 0; } my $hasExt = 0; if (not defined $use) { if ($file =~ /\.([^\.]+)$/o) { my $ext = $1; $hasExt = 1; if (exists $used_extensions{$ext}) { $use = 1; } elsif (exists $skipped_extensions{$ext}) { $use = 0; } } } if (not defined $use) { useIfMatching($file,@used_when_matches, $use); } if (not defined $use) { dontUseIfMatching($file,@skipped_when_matches, $use); } my $full; if (not defined $use) { $full = $dir.'/'.$file; useIfMatching($full,@used_when_matchesFull, $use); if (not defined $use) { if (-X $full and $hasExt==0) { $use = 0; } # exclude binaries by default (wrong for scripts) } } if (not defined $use or $use==1) { if (not defined $full) { $full = $dir.'/'.$file; } dontUseIfMatching($full,@skipped_when_matchesFull, $use); } if (not defined $use or $use==0) { if (not defined $full) { $full = $dir.'/'.$file; } useIfMatching($full,@forced_when_matchesFull, $use); } if (not defined $use) { if ($ignore_unknown==0) { die "Don't know whether to use or skip '$file' (in $dir)"; } $use = 1; } return $use; } # ------------------------------------------------------------ sub getSVNEntries($\%) { my ($dir,$SVN_r) = @_; my $svnentries = $dir.'/.svn/entries'; if (-f $svnentries) { open(SVN,'<'.$svnentries) || die "can't read '$svnentries' (Reason: $!)"; # print "reading $svnentries\n"; my $line; LINE: while (defined($line=)) { if (length($line)==2 and ord($line)==12) { # entrymarker (^L) my $name=; my $type=; defined $name or last LINE; defined $type or die "Expected two or no lines after ^L"; chomp($name); chomp($type); if ($type eq 'file') { $$SVN_r{$name} = 1; } elsif ($type eq 'dir') { $$SVN_r{$name} = 2; } else { die "Unknown type '$type' for '$name' in $svnentries"; } # print "name='$name' type='$type'\n"; } } close(SVN); return 1; } print "No such file: '$svnentries'\n"; return 0; } sub getCVSEntries($\%) { my ($dir,$CVS_r) = @_; my $cvsentries = $dir.'/CVS/Entries'; if (-f $cvsentries) { open(CVS,'<'.$cvsentries) || die "can't read '$cvsentries' (Reason: $!)"; eval { foreach () { chomp; if (/^D\/([^\/]+)\//o) { # directory $$CVS_r{$1} = 2; } elsif (/^\/([^\/]+)\//o) { # file $$CVS_r{$1} = 1; } elsif (/^D$/o) { ; } else { die "can't parse line '$_'"; } } }; if ($@) { die "$@ while reading $cvsentries"; } close(CVS); return 1; } return 0; } my $VC = ''; sub getVCEntries($\%) { my ($dir,$VC_r) = @_; my $res = 1; if (getSVNEntries($dir,%$VC_r)==0) { if (getCVSEntries($dir,%$VC_r)==0) { $VC = ''; $res = 0; } else { $VC = 'CVS'; } } else { $VC = 'SVN'; } if (0) { print "$VC entries for $dir:\n"; foreach (sort keys %$VC_r) { print " ".$$VC_r{$_}.": $_\n"; } } return $res; } # ------------------------------------------------------------ sub expectVCmember($$\%) { my ($full,$item,$VC_r) = @_; if ((not defined $$VC_r{$item}) and ($ignore_unknown==0)) { if (not matchingExpr($full,@pack_fullGenerated)) { die "'$full' ($_) included, but not in $VC (seems to be generated)"; } } } my %unpackedCVSmember = map { $_ => 1; } ( '.cvsignore', 'ChangeLog', ); sub unexpectVCmember($$\%) { my ($full,$item,$VC_r) = @_; if (defined $$VC_r{$item}) { if (not exists $unpackedCVSmember{$item} and $ignore_unknown==0) { die "'$full' excluded, but in $VC"; } } } sub dumpFiles($); sub dumpFiles($) { my ($dir) = @_; my @subdirs; my @files; my %CVS; getVCEntries($dir,%CVS); opendir(DIR,$dir) || die "can't read directory '$dir' (Reason: $!)"; foreach (readdir(DIR)) { if ($_ ne '.' and $_ ne '..') { my $full = $dir.'/'.$_; if (not -l $full) { if (-d $full) { if (useDir($full)==1) { expectVCmember($full,$_,%CVS); push @subdirs, $full; } else { unexpectVCmember($full,$_,%CVS); } } elsif (-f $full) { if (useFile($dir,$_)==1) { expectVCmember($full,$_,%CVS); push @files, $full; } else { unexpectVCmember($full,$_,%CVS); } } else { die "Unknown: '$full'"; } } } } closedir(DIR); foreach (@files) { print $_."\n"; } foreach (@subdirs) { dumpFiles($_); } } my $args = scalar(@ARGV); if ($args==0) { dumpFiles('.'); } else { my $arg = $ARGV[0]; if ($arg eq 'ignore') { $ignore_unknown = 1; dumpFiles('.'); } elsif ($arg eq 'matching') { $debug_matching = 1; dumpFiles('.'); } else { die "Usage: arb_srclst.pl [ignore|matching]\n"; } } ./arbsrc_9167/util/arb_test_compresssion0000755012664100000130000000260411440743000020444 0ustar arb_buildcoders#!/bin/sh if [ $# -lt 1 ];then echo "syntax $0 arbfile [treename] (no .arb ending)" exit -1; fi mkdir test.$1 echo optimizing database arb_2_bin -c$2 $1.arb test.$1/$1_o1.arb echo generate mapfile arb_2_bin -m test.$1/$1_o1.arb test.$1/$1_o1m.arb echo optimizing optimized arb_2_bin -c$2 test.$1/$1_o1.arb test.$1/$1_o2.arb echo optimizing optimized mapfile arb_2_bin -c$2 -t test.$1/$1_o1m.arb test.$1/$1_o2m.arb echo ' generate original ascii file' arb_2_ascii $1.arb test.$1/$1_a.arb echo ' generate optimized ascii file' arb_2_ascii test.$1/$1_o1.arb test.$1/$1_o1_a.arb echo ' generate optimized map ascii file' arb_2_ascii test.$1/$1_o1m.arb test.$1/$1_o1m_a.arb echo ' generate optimized2 ascii file' arb_2_ascii test.$1/$1_o2.arb test.$1/$1_o2_a.arb echo ' generate optimized2 map ascii file' arb_2_ascii test.$1/$1_o2m.arb test.$1/$1_o2m_a.arb echo ' regenerate binary ascii' arb_2_bin test.$1/$1_a.arb test.$1/$1_ab.arb arb_2_ascii test.$1/$1_ab.arb test.$1/$1_aba.arb echo 'check original and optimized' cmp test.$1/$1_a.arb test.$1/$1_o1_a.arb || echo '***' echo check optimized and optimized map cmp test.$1/$1_o1_a.arb test.$1/$1_o1m_a.arb echo check opti and opti2 cmp test.$1/$1_o1_a.arb test.$1/$1_o2_a.arb echo check opti and opti2 map cmp test.$1/$1_o1_a.arb test.$1/$1_o2m_a.arb echo check source and regenerated cmp test.$1/$1_a.arb test.$1/$1_aba.arb ./arbsrc_9167/util/arb_tgz2version.pl0000755012664100000130000000131211241731453017572 0ustar arb_buildcoders#!/usr/bin/perl use strict; use warnings; sub main() { my $args = scalar(@ARGV); if ($args != 1) { die "Usage: arb_tgz2version arbsrc.tgz\n"; } my $tgz = $ARGV[0]; if (not -f $tgz) { die "No such file '$tgz'"; } my $command = "tar --wildcards -Ozxf $tgz '*/SOURCE_TOOLS/version_info'"; open(PIPE,$command.'|') || die "can't execute '$command' (Reason: $!)"; my $major = undef; my $minor = undef; foreach () { if (/^MAJOR=([0-9]+)$/) { $major = $1; } if (/^MINOR=([0-9]+)$/) { $minor = $1; } } close(PIPE); if (defined $major and defined $minor) { print "ARB_VERSION=arb_$major.$minor\n"; } else { die "Failed to retrieve version from '$tgz'"; } } main(); ./arbsrc_9167/util/config.HP-UX0000644012664100000130000000100411213220012016117 0ustar arb_buildcoders# Uncomment one section, depending on your machine type and compiler options #DEBUG = 1 #********* LINUX / gcc g++ / static ******** #MACH = LINUX# # Linus g++ and gcc #LINUX = 1 #********* SUN4 / acc CC / dynamic ******** #MACH = SUN4 #SUN4 = 1# # Exportable Version #MACH = SUN5 #SUN5 = 1 #********* HP **************** HPCC = 1 #HPGCC = 1 MACH = HP #******* SGI *********** #SGI = 1 #MACH = SGI #******* DIGITAL OSF *********** #DIGITAL = 1 #MACH = DIGITAL ./arbsrc_9167/util/config.IRIX0000644012664100000130000000062511213220012016041 0ustar arb_buildcoders# Uncomment one section, depending on your machine type and compiler options #DEBUG = 1 #********* LINUX / gcc g++ / static ******** #MACH = LINUX# # Linus g++ and gcc #LINUX = 1 #********* SUN4 / acc CC / dynamic ******** #MACH = SUN4 #SUN4 = 1# # Exportable Version #MACH = SUN5 #SUN5 = 1 #******* DIGITAL OSF *********** #DIGITAL = 1 #MACH = DIGITAL ./arbsrc_9167/util/config.Linux0000644012664100000130000000062311213220012016363 0ustar arb_buildcoders# Uncomment one section, depending on your machine type and compiler options #DEBUG = 1 #********* LINUX / gcc g++ / static ******** MACH = LINUX# # Linus g++ and gcc LINUX = 1 #********* SUN4 / acc CC / dynamic ******** #MACH = SUN4 #SUN4 = 1# # Exportable Version #MACH = SUN5 #SUN5 = 1 #******* DIGITAL OSF *********** #DIGITAL = 1 #MACH = DIGITAL ./arbsrc_9167/util/config.OSF10000644012664100000130000000062311213220012015774 0ustar arb_buildcoders# Uncomment one section, depending on your machine type and compiler options #DEBUG = 1 #********* LINUX / gcc g++ / static ******** #MACH = LINUX# # Linus g++ and gcc #LINUX = 1 #********* SUN4 / acc CC / dynamic ******** #MACH = SUN4 #SUN4 = 1# # Exportable Version #MACH = SUN5 #SUN5 = 1 #******* DIGITAL OSF *********** DIGITAL = 1 MACH = DIGITAL ./arbsrc_9167/util/config.SunOS0000644012664100000130000000062211213220012016272 0ustar arb_buildcoders# Uncomment one section, depending on your machine type and compiler options DEBUG = 1 #********* LINUX / gcc g++ / static ******** #MACH = LINUX# # Linus g++ and gcc #LINUX = 1 #********* SUN4 / acc CC / dynamic ******** #MACH = SUN4 #SUN4 = 1# # Exportable Version MACH = SUN5 SUN5 = 1 #******* DIGITAL OSF *********** #DIGITAL = 1 #MACH = DIGITAL ./arbsrc_9167/util/config.SunOS40000644012664100000130000000062311213220012016357 0ustar arb_buildcoders# Uncomment one section, depending on your machine type and compiler options #DEBUG = 1 #********* LINUX / gcc g++ / static ******** #MACH = LINUX# # Linus g++ and gcc #LINUX = 1 #********* SUN4 / acc CC / dynamic ******** MACH = SUN4 SUN4 = 1# # Exportable Version #MACH = SUN5 #SUN5 = 1 #******* DIGITAL OSF *********** #DIGITAL = 1 #MACH = DIGITAL ./arbsrc_9167/util/README0000644012664100000130000000064511213220012014761 0ustar arb_buildcoders---------------- Scripts in util: ---------------- arb_compress make tar archive of all ARB binaries arb_save cpio and gzip all ARB source into arbsrc* (used by main Makefile) arb_test_compresssion test compression and ascii/bin compatibility ---------- Internals: ---------- arb_srclst.pl used by arb_save to generated list of ARB source files ./arbsrc_9167/WETC/Makefile0000644012664100000130000000252011440742777015355 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = WETC_main.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c -o $@ $(@:.o=.cxx) $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl WETC_main.o: $(ARBHOME)/INCLUDE/ad_k_prot.h WETC_main.o: $(ARBHOME)/INCLUDE/ad_prot.h WETC_main.o: $(ARBHOME)/INCLUDE/arb_assert.h WETC_main.o: $(ARBHOME)/INCLUDE/arbdb.h WETC_main.o: $(ARBHOME)/INCLUDE/arbdb_base.h WETC_main.o: $(ARBHOME)/INCLUDE/attributes.h WETC_main.o: $(ARBHOME)/INCLUDE/aw_device.hxx WETC_main.o: $(ARBHOME)/INCLUDE/aw_keysym.hxx WETC_main.o: $(ARBHOME)/INCLUDE/aw_position.hxx WETC_main.o: $(ARBHOME)/INCLUDE/aw_root.hxx WETC_main.o: $(ARBHOME)/INCLUDE/aw_window.hxx WETC_main.o: $(ARBHOME)/INCLUDE/awt.hxx ./arbsrc_9167/WETC/WETC_main.cxx0000644012664100000130000000167711440742777016223 0ustar arb_buildcoders#include #include #include #include #include #include #include AW_HEADER_MAIN int main(int argc,char **argv){ if (argc <1){ GB_export_error("Syntax: arb_wetc [-fileedit]"); GB_print_error(); exit(-1); } const char *com = argv[1]; AW_root *aw_root; AW_default aw_default; aw_root = new AW_root; aw_default = aw_root->open_default(".arb_prop/ntree.arb"); aw_root->init_variables(aw_default); // aw_root->init_root("ARB_NT", false); aw_root->init_root("ARB_WETC", false); if (!strcmp(com,"-fileedit")){ AWT_show_file(aw_root, argv[2]); }else{ GB_export_error("wrong parameter, allowed: [-fileedit] file"); GB_print_error(); exit(-1); } aw_root->window_hide(); aw_root->main_loop(); return 0; } void AD_map_viewer(GBDATA *,AD_MAP_VIEWER_TYPE) { ; } ./arbsrc_9167/WINDOW/AW_at.cxx0000644012664100000130000003505711440743000015670 0ustar arb_buildcoders#include #include #include #include #include #include "aw_root.hxx" #include "aw_device.hxx" #include "aw_at.hxx" #include "aw_window.hxx" #include "aw_xfig.hxx" /*******************************************************************************************************/ /*******************************************************************************************************/ /*******************************************************************************************************/ AW_at::AW_at(void) { memset((char*)this,0,sizeof(AW_at)); length_of_buttons = 10; height_of_buttons = 0; shadow_thickness = 2; widget_mask = AWM_ALL; } void AW_window::shadow_width (int shadow_thickness ) { _at->shadow_thickness = shadow_thickness; } void AW_window::label_length( int length ) { _at->length_of_label_for_inputfield = length; } void AW_window::button_length( int length ) { _at->length_of_buttons = length; } void AW_window::button_height( int height ) { _at->height_of_buttons = height>1 ? height : 0; } int AW_window::get_button_length() const { return _at->length_of_buttons; } int AW_window::get_button_height() const { return _at->height_of_buttons; } void AW_window::highlight( void ) { _at->highlight = true; } void AW_window::auto_increment( int x, int y ) { _at->auto_increment_x = x; _at->auto_increment_y = y; _at->x_for_newline = _at->x_for_next_button; _at->do_auto_space = false; _at->do_auto_increment = true; _at->biggest_height_of_buttons = 0; } void AW_window::auto_space( int x, int y ) { _at->auto_space_x = x; _at->auto_space_y = y; _at->x_for_newline = _at->x_for_next_button; _at->do_auto_space = true; _at->do_auto_increment = false; _at->biggest_height_of_buttons = 0; } void AW_window::auto_off( void ) { _at->do_auto_space = false; _at->do_auto_increment = false; } void AW_window::at_set_min_size(int xmin, int ymin) { if (xmin > _at->max_x_size) _at->max_x_size = xmin; // this looks wrong, but its right! if (ymin > _at->max_y_size) _at->max_y_size = ymin; if (recalc_size_at_show) { set_window_size(_at->max_x_size+1000, _at->max_y_size+1000); } } /*******************************************************************************************************/ /*******************************************************************************************************/ /*******************************************************************************************************/ void AW_window::help_text(const char *help_id ) { delete _at->helptext_for_next_button; _at->helptext_for_next_button = strdup( help_id ); } void AW_window::sens_mask( AW_active Mask ) { #if defined(DEVEL_RALF) #warning enable assertion below for all developers when tested #endif // DEVEL_RALF aw_assert(legal_mask(Mask)); _at->widget_mask = Mask; } void AW_window::callback( void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ) { _callback = new AW_cb_struct(this,(AW_CB)f,cd1,cd2); } void AW_window::callback( void (*f)(AW_window*,AW_CL), AW_CL cd1 ) { _callback = new AW_cb_struct(this,(AW_CB)f,cd1); } void AW_window::callback( void (*f)(AW_window*) ) { _callback = new AW_cb_struct(this,(AW_CB)f); } void AW_window::callback( AW_cb_struct * /*owner*/awcbs ) { _callback = awcbs; } void AW_window::d_callback( void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ) { _d_callback = new AW_cb_struct(this,(AW_CB)f,cd1,cd2); } void AW_window::d_callback( void (*f)(AW_window*,AW_CL), AW_CL cd1 ) { _d_callback = new AW_cb_struct(this,(AW_CB)f,cd1); } void AW_window::d_callback( void (*f)(AW_window*) ) { _d_callback = new AW_cb_struct(this,(AW_CB)f); } void AW_window::d_callback( AW_cb_struct * /*owner*/awcbs ) { _d_callback = awcbs; } void AW_window::label( const char *Label ) { freedup(_at->label_for_inputfield, Label); } void AW_window::at( int x, int y ) { at_x(x); at_y(y); } void AW_window::at_x( int x ) { if (_at->x_for_next_button > _at->max_x_size) _at->max_x_size = _at->x_for_next_button; _at->x_for_next_button = x; if (_at->x_for_next_button > _at->max_x_size) _at->max_x_size = _at->x_for_next_button; } void AW_window::at_y( int y ) { if (_at->y_for_next_button + _at->biggest_height_of_buttons > _at->max_y_size) _at->max_y_size = _at->y_for_next_button + _at->biggest_height_of_buttons; _at->biggest_height_of_buttons = _at->biggest_height_of_buttons + _at->y_for_next_button - y; if (_at->biggest_height_of_buttons<0){ _at->biggest_height_of_buttons = 0; if (_at->max_y_size < y) _at->max_y_size = y; } _at->y_for_next_button = y; } void AW_window::at_shift( int x, int y ) { at(x+_at->x_for_next_button,y+_at->y_for_next_button); } void AW_window::at_newline( void ) { if ( _at->do_auto_increment ) { at_y(_at->auto_increment_y + _at->y_for_next_button); } else { if ( _at->do_auto_space ) { at_y(_at->y_for_next_button + _at->auto_space_y + _at->biggest_height_of_buttons); } else { AW_ERROR("neither auto_space nor auto_increment activated while using at_newline"); } } at_x(_at->x_for_newline); } void AW_window::at( const char *at_id ) { char to_position[100];memset(to_position,0,sizeof(to_position)); _at->attach_y = _at->attach_x = false; _at->attach_ly = _at->attach_lx = false; _at->attach_any = false; _at->correct_for_at_string = true; if ( !xfig_data ) { AW_ERROR( "no xfig file loaded " ); return; } AW_xfig *xfig = (AW_xfig *)xfig_data; AW_xfig_pos *pos; pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,at_id); if (!pos){ sprintf( to_position, "X:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (pos) _at->attach_any = _at->attach_lx = true; } if (!pos){ sprintf( to_position, "Y:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (pos) _at->attach_any = _at->attach_ly = true; } if (!pos){ sprintf( to_position, "XY:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (pos) _at->attach_any = _at->attach_lx = _at->attach_ly = true; } if( !pos ) { AW_ERROR(" ID '%s' does not exist in xfig file", at_id); return; } at( (pos->x - xfig->minx), (pos->y - xfig->miny - this->get_root()->font_height - 9)); _at->correct_for_at_center = pos->center; sprintf( to_position, "to:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (!pos) { sprintf( to_position, "to:X:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (pos) _at->attach_any = _at->attach_x = true; } if (!pos) { sprintf( to_position, "to:Y:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (pos) _at->attach_any = _at->attach_y = true; } if (!pos) { sprintf( to_position, "to:XY:%s", at_id ); pos = (AW_xfig_pos*)GBS_read_hash(xfig->hash,to_position); if (pos) _at->attach_any = _at->attach_x = _at->attach_y = true; } if( pos ) { _at->to_position_exists = true; _at->to_position_x = (pos->x - xfig->minx); _at->to_position_y = (pos->y - xfig->miny); _at->correct_for_at_center = 0; // always justify left when a to-position exists } else { _at->to_position_exists = false; } } // set "$XY:id" manually void AW_window::at_attach(bool attach_x, bool attach_y) { aw_assert(0); // this does not work _at->attach_lx = attach_x; _at->attach_ly = attach_y; _at->attach_any = attach_x || attach_y; } // set "$to:XY:id" manually // use negative offsets to set offset from right/lower border to to-position void AW_window::at_set_to(bool attach_x, bool attach_y, int xoff, int yoff) { // aw_assert(attach_x || attach_y); // use at_unset_to() to un-attach _at->attach_any = attach_x || attach_y; _at->attach_x = attach_x; _at->attach_y = attach_y; _at->to_position_exists = true; _at->to_position_x = xoff >= 0 ? _at->x_for_next_button + xoff : _at->max_x_size+xoff; _at->to_position_y = yoff >= 0 ? _at->y_for_next_button + yoff : _at->max_y_size+yoff; if (_at->to_position_x > _at->max_x_size) _at->max_x_size = _at->to_position_x; if (_at->to_position_y > _at->max_y_size) _at->max_y_size = _at->to_position_y; _at->correct_for_at_center = 0; // _at->correct_for_at_center = xoff <= 0 ? 0 : 2; // justify left (=0) or right (=2) } void AW_window::at_unset_to() { _at->attach_x = _at->attach_y = _at->to_position_exists = false; _at->attach_any = _at->attach_lx || _at->attach_ly; } bool AW_window::at_ifdef(const char *at_id) { if (!xfig_data) return false; AW_xfig *xfig = (AW_xfig *)xfig_data; char buffer[100]; #if defined(DEBUG) int printed = #endif // DEBUG sprintf(buffer,"XY:%s",at_id); #if defined(DEBUG) aw_assert(printed<100); #endif // DEBUG if (GBS_read_hash(xfig->hash,buffer+3)) return true; // "tag" if (GBS_read_hash(xfig->hash,buffer+1)) return true; // "Y:tag" if (GBS_read_hash(xfig->hash,buffer)) return true; // "XY:tag" buffer[1] = 'X'; if (GBS_read_hash(xfig->hash,buffer+1)) return true; // "X:tag" return false; } void AW_window::check_at_pos( void ) { if (_at->x_for_next_button<10){ // printf("X Position should be greater 10\n"); } } void AW_window::get_at_position(int *x, int *y) { *x = _at->x_for_next_button; *y = _at->y_for_next_button; } int AW_window::get_at_xposition() { return _at->x_for_next_button; } int AW_window::get_at_yposition() { return _at->y_for_next_button; } void AW_window::store_at_size_and_attach( AW_at_size *at_size ) { at_size->store(_at); } void AW_window::restore_at_size_and_attach( const AW_at_size *at_size ) { at_size->restore(_at); } void AW_window::unset_at_commands( void ) { // _at->widget_mask = AWM_ALL; // disabled 2009/Aug/5, cause this resets expert-mask after creating widget _callback = NULL; _d_callback = NULL; _at->correct_for_at_string = false; _at->correct_for_at_center = 0; _at->to_position_exists = false; _at->highlight = false; freeset(_at->helptext_for_next_button, 0); freeset(_at->label_for_inputfield, 0); _at->background_color = 0; } void AW_window::increment_at_commands( int width, int height ) { at_shift(width,0); at_shift(-width,0); // set bounding box if ( _at->do_auto_increment ) { at_shift(_at->auto_increment_x,0); } if ( _at->do_auto_space ) { at_shift(_at->auto_space_x + width,0); } if ( _at->biggest_height_of_buttons < height ) { _at->biggest_height_of_buttons = height; } if ( _at->max_y_size < (_at->y_for_next_button +_at->biggest_height_of_buttons +3.0)) { _at->max_y_size = _at->y_for_next_button +_at->biggest_height_of_buttons +3; } if ( _at->max_x_size < (_at->x_for_next_button + this->get_root()->font_width)) { _at->max_x_size = _at->x_for_next_button + this->get_root()->font_width; } } /*******************************************************************************************************/ /*******************************************************************************************************/ /*******************************************************************************************************/ int AW_window::calculate_string_width( int columns ) { if ( xfig_data ) { AW_xfig *xfig = (AW_xfig *)xfig_data; //return columns * this->get_root()->font_width; return (int)(columns * xfig->font_scale * XFIG_DEFAULT_FONT_WIDTH); /* stdfont 8x13 */ }else { return columns * XFIG_DEFAULT_FONT_WIDTH; /* stdfont 8x13 */ } } int AW_window::calculate_string_height( int rows , int offset ) { if ( xfig_data ) { AW_xfig *xfig = (AW_xfig *)xfig_data; return (int)((rows * XFIG_DEFAULT_FONT_HEIGHT + offset ) * xfig->font_scale); /* stdfont 8x13 */ } else { return (rows * XFIG_DEFAULT_FONT_HEIGHT + offset ); /* stdfont 8x13 */ } } char *AW_window::align_string(const char *label_text, int columns) { // shortens or expands 'label_text' to 'columns' columns // if label_text contains '\n', each "line" is handled separately const char *lf = strchr(label_text, '\n'); char *result = 0; if (!lf) { result = (char*)malloc(columns+1); int len = strlen(label_text); if (len>columns) len = columns; memcpy(result, label_text, len); if (lento_position_exists; if (to_position_exists) { to_offset_x = at->to_position_x - at->x_for_next_button; to_offset_y = at->to_position_y - at->y_for_next_button; } attach_x = at->attach_x; attach_y = at->attach_y; attach_lx = at->attach_lx; attach_ly = at->attach_ly; attach_any = at->attach_any; } void AW_at_size::restore(AW_at *at) const { at->to_position_exists = to_position_exists; if (to_position_exists) { at->to_position_x = at->x_for_next_button + to_offset_x; at->to_position_y = at->y_for_next_button + to_offset_y; } at->attach_x = attach_x; at->attach_y = attach_y; at->attach_lx = attach_lx; at->attach_ly = attach_ly; at->attach_any = attach_any; } void AW_at_maxsize::store(const AW_at *at) { maxx = at->max_x_size; maxy = at->max_y_size; } void AW_at_maxsize::restore(AW_at *at) const { at->max_x_size = maxx; at->max_y_size = maxy; } ./arbsrc_9167/WINDOW/aw_at.hxx0000644012664100000130000000230311440743000015761 0ustar arb_buildcoders#ifndef AW_AT_HXX #define AW_AT_HXX class AW_at { public: short shadow_thickness; short length_of_buttons; short height_of_buttons; short length_of_label_for_inputfield; bool highlight; char *helptext_for_next_button; AW_active widget_mask; // sensitivity (expert/novice mode) unsigned long int background_color; // X11 Pixel char *label_for_inputfield; int x_for_next_button; int y_for_next_button; int max_x_size; int max_y_size; int to_position_x; int to_position_y; bool to_position_exists; bool do_auto_space; int auto_space_x; int auto_space_y; bool do_auto_increment; int auto_increment_x; int auto_increment_y; int biggest_height_of_buttons; short saved_x_correction_for_label; // short correct_for_at_center_intern; short saved_x; bool correct_for_at_string; int correct_for_at_center; short x_for_newline; bool attach_x; // attach right side to right form bool attach_y; bool attach_lx; // attach left side to right form bool attach_ly; bool attach_any; AW_at(void); }; #else #error aw_at.hxx included twice #endif ./arbsrc_9167/WINDOW/aw_awar.hxx0000644012664100000130000000533511440743000016317 0ustar arb_buildcoders#ifndef AW_AWAR_HXX #define AW_AWAR_HXX #define AW_INSERT_BUTTON_IN_AWAR_LIST(vs,cd1,widget,type,aww) \ do { \ new AW_widget_list_for_variable(vs,cd1,(int*)widget,type,aww); \ } while(0) #define AWAR_EPS 0.00000001 typedef enum { AW_WIDGET_INPUT_FIELD, AW_WIDGET_TEXT_FIELD, AW_WIDGET_LABEL_FIELD, AW_WIDGET_CHOICE_MENU, AW_WIDGET_TOGGLE_FIELD, AW_WIDGET_SELECTION_LIST, AW_WIDGET_TOGGLE } AW_widget_type; /*************************************************************************/ struct AW_widget_list_for_variable { AW_widget_list_for_variable( AW_awar *vs, AW_CL cd1, int *widgeti, AW_widget_type type, AW_window *awi ); AW_CL cd; AW_awar *awar; int *widget; AW_widget_type widget_type; AW_window *aw; AW_widget_list_for_variable *next; }; /*************************************************************************/ struct AW_var_callback { AW_var_callback( void (*vc_cb)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ); AW_var_callback( void (*vc_cb)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2, AW_var_callback *nexti ); void (*value_changed_cb)(AW_root*,AW_CL,AW_CL); AW_CL value_changed_cb_cd1; AW_CL value_changed_cb_cd2; AW_var_callback *next; void run_callback(AW_root *root); }; typedef struct gb_data_base_type GBDATA; struct AW_variable_struct { AW_variable_struct( AW_VARIABLE_TYPE var_type, const char *var_name, const char *var_value, double var_double_value, long *var_adress, AW_default default_file, AW_root *root ); AW_VARIABLE_TYPE variable_type; long *variable_mem_pntr; union { struct { float min,max; } f; char *srt; } pp; GBDATA *gb_var; GBDATA *gb_origin; AW_root *value_changed_cb_root; AW_var_callback *callback_list; AW_var_callback *last_of_callback_list; AW_widget_list_for_variable *widget_list; AW_widget_list_for_variable *last_of_widget_list; char *update(); /* update all widgets */ char *map(GBDATA *dest); /* map to new address */ void get(char **p_string); void get(long *p_int); void get(double *p_double); void get(float *p_float); char *get_as(void); char *set(char *aw_string); char *set(long aw_int); char *set(double aw_double); char *set_as(char *aw_value); char *toggle_toggle(); void touch(void); }; void aw_update_awar_window_geometry(AW_root *awr); #else #error aw_awar.hxx included twice #endif ./arbsrc_9167/WINDOW/aw_awars.hxx0000644012664100000130000000632511440743000016502 0ustar arb_buildcoders#ifndef AW_AWARS_HXX #define AW_AWARS_HXX #define AWAR_DB "tmp/nt/arbdb/" #define AWAR_DB_PATH AWAR_DB "file_name" #define AWAR_DB_NAME AWAR_DB_PATH "_without_path" // awar is automatically updated when AWAR_DB_PATH changes #define AWAR_DEFAULT_ALIGNMENT "presets/use" #define AWAR_TREE "focus/tree_name" #define AWAR_TREE_REFRESH "tmp/focus/tree_refresh" // touch this awar to refresh the tree display #define AWAR_CONFIGURATION "focus/configuration" #define AWAR_SECURITY_LEVEL "tmp/etc/security_level" #define AWAR_GDE_EXPORT_FILTER "tmp/gde/export_filter" #define AWAR_GDE_FILTER "tmp/gde/filter" #define AWAR_DB_COMMENT "description" #define AWAR_PT_SERVER "nt/pt_server" #define AWAR_TARGET_STRING "nt/target_string" #define AWAR_PRIMER_TARGET_STRING "nt/primer_target_string" #define AWAR_GENE_CONTENT "nt/gene_content" #define AWAR_MIN_MISMATCHES "nt/min_mismatches" #define AWAR_MAX_MISMATCHES "nt/max_mismatches" #define AWAR_ITARGET_STRING "nt/itarget_string" #define AWAR_EXPERT "nt/expert" #define AWAR_SAI_COLOR_STR "tmp/sai_color_str" //to visualize SAIs in probe Match window /* local awars for edit and edit4: */ #define AWAR_SPECIES_NAME_LOCAL "tmp/edit/species_name" /* string: name of selected species */ #define AWAR_CURSOR_POSITION_LOCAL "tmp/edit/cursor_position" /* int: position in sequence */ #define AWAR_EDITOR_ALIGNMENT "tmp/edit/alignment" /* string: alignment used by editor */ /* global awars */ #define AWAR_CURSOR_POSITION "tmp/focus/cursor_position" /* int: position in sequence range=[1;len] */ #define AWAR_SET_CURSOR_POSITION "tmp/focus/set_cursor_position" /* int: set position in sequence (remote control for ARB_EDIT4) range=[0;len-1] */ #define AWAR_SPECIES_NAME "tmp/focus/species_name" /* string: name of selected species */ #define AWAR_INFO_BUTTON_TEXT "tmp/focus/info_button_text" /* string: to display selected species */ #define AWAR_ORGANISM_NAME "tmp/focus/organism_name" /* string: name of selected organism (differs from AWAR_SPECIES_NAME only for pseudo-gene-species) */ /* - normally AWAR_ORGANISM_NAME contains the same value as AWAR_SPECIES_NAME - if AWAR_SPECIES_NAME contains the name of a pseudo gene-species then AWAR_ORGANISM_NAME contains the name of the species the pseudo gene-species originated from */ // #define AWAR_EXPERIMENT_NAME "tmp/focus/experiment_name" /* string : name of selected experiment */ #define AWAR_SAI_NAME "tmp/focus/sai_name" /* string : name of selected SAI (e.g. in EDIT4 and 'Manage SAI') */ #define AWAR_SAI_GLOBAL "tmp/focus/sai_global" /* string : name of selected SAI in EDIT4/Visualize SAI Tool - used in RNA3D Tool*/ #define AWAR_HELIX_NAME "tmp/focus/helix_name" /* string: name of selected helix, for helix numbers append _NR, get default by GBT_get_default_helix */ #define AWAR_ERROR_MESSAGES "tmp/message/displayed" /* error-messages: display awar */ #define AWAR_FOOTER "tmp/LeftFooter" // mode line (showing help for selected mode) #define AWAR_FOOTER_MAX_LEN 100 // max allowed textlen for mode line #define AWAR_AWM_MASK "tmp/awm_mask" #else #error aw_awars.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_button.cxx0000644012664100000130000034045711440743000016602 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "aw_root.hxx" #include "aw_at.hxx" #include "aw_device.hxx" #include "aw_Xm.hxx" #include "aw_click.hxx" #include "aw_print.hxx" #include "aw_size.hxx" #include "aw_window.hxx" #include "aw_awar.hxx" #include "aw_window_Xm.hxx" #include #if defined(DEBUG) // #define DUMP_BUTTON_CREATION #endif // DEBUG /*********************************************************************************************************************/ /*********************************************************************************************************************/ /*********************************************************************************************************************/ static void aw_cp_awar_2_widget_cb(AW_root *root, AW_widget_list_for_variable *widgetlist){ if (widgetlist->widget == (int *)root->changer_of_variable){ root->changer_of_variable = 0; root->value_changed = false; return; } { char *var_value; var_value = widgetlist->awar->read_as_string(); // und benachrichtigen der anderen switch(widgetlist->widget_type) { case AW_WIDGET_INPUT_FIELD: widgetlist->aw->update_input_field(widgetlist->widget, var_value ); break; case AW_WIDGET_TEXT_FIELD: widgetlist->aw->update_text_field(widgetlist->widget, var_value ); break; case AW_WIDGET_TOGGLE: widgetlist->aw->update_toggle(widgetlist->widget, var_value, widgetlist->cd ); break; case AW_WIDGET_LABEL_FIELD: widgetlist->aw->update_label( widgetlist->widget, var_value ); break; case AW_WIDGET_CHOICE_MENU: widgetlist->aw->update_option_menu( (AW_option_menu_struct*)widgetlist->cd ); break; case AW_WIDGET_TOGGLE_FIELD: widgetlist->aw->update_toggle_field( (int)widgetlist->cd ); break; case AW_WIDGET_SELECTION_LIST: widgetlist->aw->update_selection_list_intern( (AW_selection_list *)widgetlist->cd ); default: break; } free(var_value); } root->value_changed = false; // Maybe value changed is set because Motif calls me } AW_widget_list_for_variable::AW_widget_list_for_variable( AW_awar *vs, AW_CL cd1, int *widgeti, AW_widget_type type, AW_window *awi ) { cd = cd1; widget = widgeti; widget_type = type; awar = vs; aw = awi; next = 0; awar->add_callback((AW_RCB1)aw_cp_awar_2_widget_cb, (AW_CL)this); } /********************************* Used for single items in lists ****************************************/ struct AW_variable_update_struct { AW_variable_update_struct( Widget widgeti, AW_widget_type widget_typei, AW_awar *awari, const char *var_s_i, int var_i_i, float var_f_i, AW_cb_struct *cbsi ); AW_awar *awar; Widget widget; AW_widget_type widget_type; char *variable_value; long variable_int_value; float variable_float_value; AW_cb_struct *cbs; void *id; // selection id etc ... }; AW_variable_update_struct::AW_variable_update_struct(Widget widgeti, AW_widget_type widget_typei, AW_awar *awari, const char *var_s_i, int var_i_i, float var_f_i, AW_cb_struct *cbsi) { widget = widgeti; widget_type = widget_typei; awar = awari; if (var_s_i) { variable_value = strdup(var_s_i); } else { variable_value = 0; } variable_int_value = var_i_i; // used for toggles and selection menus variable_float_value = var_f_i; cbs = cbsi; } void AW_variable_update_callback( Widget wgt, XtPointer variable_update_struct, XtPointer call_data ) { AWUSE(wgt);AWUSE(call_data); AW_variable_update_struct *vus = (AW_variable_update_struct *) variable_update_struct; aw_assert(vus); char *tmp = 0; long h_int; float h_float; GB_ERROR error = 0; XmListCallbackStruct *xml; AW_root *root = vus->awar->root; if (root->value_changed){ root->changer_of_variable = (long)vus->widget; } switch (vus->widget_type) { case AW_WIDGET_INPUT_FIELD: case AW_WIDGET_TEXT_FIELD: if (!root->value_changed) return; tmp = XmTextGetString( (vus->widget) ); switch ( vus->awar->variable_type ) { case AW_STRING: error = vus->awar->write_string( tmp ); break; case AW_INT: h_int = atoi(tmp); error = vus->awar->write_int( h_int ); break; case AW_FLOAT: h_float = atof(tmp); error = vus->awar->write_float( h_float ); break; default: gb_assert(0); error = GB_export_error("Unknown or incompatible AWAR type"); } XtFree( tmp ); break; case AW_WIDGET_TOGGLE: root->changer_of_variable = 0; error = vus->awar->toggle_toggle(); break; case AW_WIDGET_TOGGLE_FIELD: int state; state = XmToggleButtonGetState(vus->widget); if (state != True) break; // fall-through case AW_WIDGET_CHOICE_MENU: switch ( vus->awar->variable_type ) { case AW_STRING: error = vus->awar->write_string( vus->variable_value ); break; case AW_INT: error = vus->awar->write_int(vus->variable_int_value ); break; case AW_FLOAT: error = vus->awar->write_float( vus->variable_float_value ); break; #if defined(DEVEL_RALF) #warning missing implementation for AW_POINTER #endif // DEVEL_RALF default: gb_assert(0); GB_warning("Unknown AWAR type"); break; } break; case AW_WIDGET_SELECTION_LIST: { char *ptr; AW_selection_list *selection_list; AW_select_table_struct *list_table; bool found; found = false; xml = (XmListCallbackStruct*)call_data; XmStringGetLtoR( xml->item, XmSTRING_DEFAULT_CHARSET, &tmp ); selection_list = ((AW_selection_list *)(vus->id)); for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) { ptr = list_table->displayed; if ( strcmp( tmp, ptr ) == 0 ) { break; } } if ( !list_table ) { // test if default selection exists list_table = selection_list->default_select; if (!list_table) { AW_ERROR("no default for selection list specified"); return; } } switch ( vus->awar->variable_type ) { case AW_STRING: error = vus->awar->write_string( list_table->char_value ); break; case AW_INT: error = vus->awar->write_int( list_table->int_value ); break; case AW_FLOAT: error = vus->awar->write_float( list_table->float_value ); break; case AW_POINTER: error = vus->awar->write_pointer( list_table->pointer_value ); break; default: gb_assert(0); error = GB_export_error("Unknown AWAR type"); break; } XtFree( tmp ); break; } case AW_WIDGET_LABEL_FIELD: break; default: gb_assert(0); GB_warning("Unknown Widget Type"); break; } if (error) { root->changer_of_variable = 0; vus->awar->update(); aw_message(error); } else { if (root->prvt->recording_macro_file) { fprintf(root->prvt->recording_macro_file,"BIO::remote_awar($gb_main,\"%s\",",root->prvt->application_name_for_macros); GBS_fwrite_string(vus->awar->awar_name,root->prvt->recording_macro_file); fprintf(root->prvt->recording_macro_file,","); char *value = vus->awar->read_as_string(); GBS_fwrite_string(value,root->prvt->recording_macro_file); free(value); fprintf(root->prvt->recording_macro_file,");\n"); } if (vus->cbs) vus->cbs->run_callback(); root->value_changed = false; } } void AW_value_changed_callback( Widget wgt, XtPointer rooti, XtPointer call_data ) { AWUSE(wgt);AWUSE(call_data); AW_root *root = (AW_root *)rooti; root->value_changed = true; } /****************************************************************************************************************************/ /****************************************************************************************************************************/ void aw_attach_widget(Widget scrolledWindowText,AW_at *_at,int default_width = -1){ short height = 0; short width = 0; if (!_at->to_position_exists){ XtVaGetValues( scrolledWindowText, XmNheight, &height, XmNwidth, &width,NULL ); if (default_width >0) width = default_width; switch (_at->correct_for_at_center) { case 0: // left justified _at->to_position_x = _at->x_for_next_button + width; break; case 1: // centered _at->to_position_x = _at->x_for_next_button + width/2; _at->x_for_next_button -= width/2; break; case 2: // right justified _at->to_position_x = _at->x_for_next_button; _at->x_for_next_button -= width; break; } _at->to_position_y = _at->y_for_next_button + height; _at->attach_x = _at->attach_lx; _at->attach_y = _at->attach_ly; } #define MIN_RIGHT_OFFSET 10 #define MIN_BOTTOM_OFFSET 10 if (_at->attach_x) { int right_offset = _at->max_x_size - _at->to_position_x; if (right_offsetmax_x_size = _at->to_position_x+right_offset; } XtVaSetValues( scrolledWindowText, XmNrightAttachment, XmATTACH_FORM, XmNrightOffset, right_offset, NULL ); }else{ XtVaSetValues( scrolledWindowText, XmNrightAttachment, XmATTACH_OPPOSITE_FORM, XmNrightOffset, -_at->to_position_x, NULL ); } if (_at->attach_lx) { XtVaSetValues( scrolledWindowText, XmNwidth, _at->to_position_x - _at->x_for_next_button, XmNleftAttachment, XmATTACH_NONE, NULL ); }else{ XtVaSetValues( scrolledWindowText, XmNleftAttachment, XmATTACH_FORM, XmNleftOffset, _at->x_for_next_button, NULL ); } if (_at->attach_y) { int bottom_offset = _at->max_y_size - _at->to_position_y; if (bottom_offsetmax_y_size = _at->to_position_y+bottom_offset; } XtVaSetValues( scrolledWindowText, XmNbottomAttachment, XmATTACH_FORM, XmNbottomOffset, bottom_offset, NULL ); }else{ XtVaSetValues( scrolledWindowText, XmNbottomAttachment, XmATTACH_OPPOSITE_FORM, XmNbottomOffset, - _at->to_position_y, NULL ); } if (_at->attach_ly){ XtVaSetValues( scrolledWindowText, XmNheight, _at->to_position_y - _at->y_for_next_button, XmNtopAttachment, XmATTACH_NONE, NULL ); }else{ XtVaSetValues( scrolledWindowText, XmNtopAttachment, XmATTACH_FORM, XmNtopOffset, _at->y_for_next_button, NULL ); } } /****************************************************************************************************************************/ static char *pixmapPath(const char *pixmapName) { return nulldup(GB_path_in_ARBLIB("pixmaps", pixmapName)); } #define MAX_LINE_LENGTH 200 static GB_ERROR detect_bitmap_size(const char *pixmapname, int *width, int *height) { GB_ERROR err = 0; *width = 0; *height = 0; char *path = pixmapPath(pixmapname); FILE *in = fopen(path, "rt"); if (in) { const char *subdir = strrchr(pixmapname, '/'); char *name = strdup(subdir ? subdir+1 : pixmapname); { char *dot = strrchr(name, '.'); if (dot) dot[0] = 0; else err = "'.' expected"; } int namelen = strlen(name); char buffer[MAX_LINE_LENGTH]; bool done = false; while (!done && !err) { fgets(buffer, MAX_LINE_LENGTH, in); if (strchr(buffer, 0)[-1] != '\n') { err = GBS_global_string("Line too long ('%s')", buffer); // increase MAX_LINE_LENGTH above } else if (strncmp(buffer, "#define", 7) != 0) { done = true; } else { char *name_pos = strstr(buffer+7, name); if (name_pos) { char *behind = name_pos+namelen; if (strncmp(behind, "_width ", 7) == 0) *width = atoi(behind+7); else if (strncmp(behind, "_height ", 8) == 0) *height = atoi(behind+8); } } } if (done && ((*width == 0) || (*height == 0))) { if (strstr(buffer, "XPM") != NULL) { fgets(buffer, MAX_LINE_LENGTH, in); fgets(buffer, MAX_LINE_LENGTH, in); char *temp = strtok(buffer+1, " "); *width = atoi(temp); temp = strtok(NULL, " "); *height = atoi(temp); } else { err = "can't detect size"; } } free(name); fclose(in); } else { err = "no such file"; } if (err) { err = GBS_global_string("%s: %s", pixmapname, err); } #if defined(DUMP_BUTTON_CREATION) printf("Bitmap '%s' has size %i/%i\n", pixmapname, *width, *height); #endif // DUMP_BUTTON_CREATION free(path); return err; } #undef MAX_LINE_LENGTH inline void calculate_textsize(const char *str, int *width, int *height) { int textwidth = 0; int textheight = 1; int linewidth = 0; for (int p = 0; str[p]; ++p) { if (str[p] == '\n') { if (linewidth>textwidth) textwidth = linewidth; linewidth = 0; textheight++; } else { linewidth++; } } if (linewidth>textwidth) textwidth = linewidth; *width = textwidth; *height = textheight; } /****************************************************************************************************************************/ static void calculate_label_size(AW_window *aww, int *width, int *height, bool in_pixel, const char *non_at_label) { // in_pixel == true -> calculate size in pixels // in_pixel == false -> calculate size in characters const char *label = non_at_label ? non_at_label : aww->_at->label_for_inputfield; if (label) { calculate_textsize(label, width, height); if (aww->_at->length_of_label_for_inputfield) { *width = aww->_at->length_of_label_for_inputfield; } if (in_pixel) { *width = aww->calculate_string_width(*width); *height = aww->calculate_string_height(*height, 0); } } else { *width = 0; *height = 0; } // if (_at->length_of_label_for_inputfield) return _at->length_of_label_for_inputfield; // if (_at->label_for_inputfield) return strlen(_at->label_for_inputfield); // return 0; } /****************************************************************************************************************************/ Widget AW_window::get_last_widget() const { return p_global->get_last_widget(); } void aw_detect_text_size(const char *text, size_t& width, size_t& height) { size_t text_width = strcspn(text, "\n"); if (text[text_width]) { aw_assert(text[text_width] == '\n'); aw_detect_text_size(text+text_width+1, width, height); if (text_width>width) width = text_width; height++; } else { // EOS width = text_width; height = 1; } } void AW_window::create_autosize_button(const char *macro_name, AW_label buttonlabel, const char *mnemonic, unsigned xtraSpace) { aw_assert(buttonlabel[0] != '#'); // use create_button() for graphical buttons! AW_awar *is_awar = get_root()->label_is_awar(buttonlabel); size_t width, height; if (is_awar) { char *content = is_awar->read_as_string(); aw_assert(content[0]); /* you need to fill the awar before calling create_autosize_button, * otherwise size cannot be detected */ aw_detect_text_size(content, width, height); } else { aw_detect_text_size(buttonlabel, width, height); } int len = width+(xtraSpace*2); short length_of_buttons = _at->length_of_buttons; short height_of_buttons = _at->height_of_buttons; _at->length_of_buttons = len+1; _at->height_of_buttons = height; create_button(macro_name, buttonlabel, mnemonic); _at->length_of_buttons = length_of_buttons; _at->height_of_buttons = height_of_buttons; } void AW_window::create_button(const char *macro_name, AW_label buttonlabel, const char *mnemonic, const char *color) { // Create a button or text display. // // If a callback is bound via at->callback(), a button is created. // Otherwise a text display is created. // // if buttonlabel starts with '#' the rest of buttonlabel is used as name of bitmap file used for button // if buttonlabel contains a '/' it's interpreted as AWAR name and the button displays the content of the awar // otherwise buttonlabel is interpreted as button label (may contain '\n'). // // Note 1: Button width 0 does not work together with labels! // Note 2: "color" may be specified for the button background (see TuneOrSetBackground for details) TuneOrSetBackground(_at->attach_any ? INFO_FORM : INFO_WIDGET, // set background for buttons / text displays color, _callback ? TUNE_BUTTON : 0); AWUSE(mnemonic); #if defined(DUMP_BUTTON_CREATION) printf("------------------------------ Button '%s'\n", buttonlabel); printf("x_for_next_button=%i y_for_next_button=%i\n", _at->x_for_next_button, _at->y_for_next_button); #endif // DUMP_BUTTON_CREATION check_at_pos(); if (_callback && ((long)_callback!= 1) ) { if (macro_name){ _callback->id = GBS_global_string_copy("%s/%s",this->window_defaults_name,macro_name); get_root()->define_remote_command(_callback); } else { _callback->id = 0; } } #define SPACE_BEHIND_LABEL 10 #define SPACE_BEHIND_BUTTON 3 #define BUTTON_TEXT_X_PADDING 4 #define BUTTON_TEXT_Y_PADDING 10 #define BUTTON_GRAPHIC_PADDING 12 #define FLAT_GRAPHIC_PADDING 4 // for buttons w/o callback bool is_graphical_button = buttonlabel[0] == '#'; #if defined(DEBUG) AW_awar *is_awar = is_graphical_button ? NULL : get_root()->label_is_awar(buttonlabel); #endif // DEBUG int width_of_button = -1, height_of_button = -1; int width_of_label, height_of_label; calculate_label_size(this, &width_of_label, &height_of_label, true, 0); int width_of_label_and_spacer = _at->label_for_inputfield ? width_of_label+SPACE_BEHIND_LABEL : 0; bool let_motif_choose_size = false; if (_at->to_position_exists) { // size has explicitly been specified in xfig -> calculate width_of_button = _at->to_position_x - _at->x_for_next_button - width_of_label_and_spacer; height_of_button = _at->to_position_y - _at->y_for_next_button; } else if (_at->length_of_buttons) { // button width specified from client code width_of_button = BUTTON_TEXT_X_PADDING + calculate_string_width(_at->length_of_buttons+1); if (!is_graphical_button) { if (_at->height_of_buttons) { // button height specified from client code height_of_button = BUTTON_TEXT_Y_PADDING + calculate_string_height(_at->height_of_buttons, 0); } else { int textwidth, textheight; calculate_textsize(buttonlabel, &textwidth, &textheight); height_of_button = BUTTON_TEXT_Y_PADDING + calculate_string_height(textheight, 0); } } else { height_of_button = BUTTON_TEXT_Y_PADDING + calculate_string_height(1, 0); } } else { // no button_length() specified aw_assert(!is_awar); // please specify button_length() for AWAR button! if (is_graphical_button) { int width, height; GB_ERROR err = detect_bitmap_size(buttonlabel+1, &width, &height); if (!err) { int gpadding = _callback ? BUTTON_GRAPHIC_PADDING : FLAT_GRAPHIC_PADDING; width_of_button = width+gpadding; height_of_button = height+gpadding; } else { aw_assert(0); // oops - failed to detect bitmap size let_motif_choose_size = true; } } else { int textwidth, textheight; calculate_textsize(buttonlabel, &textwidth, &textheight); width_of_button = BUTTON_TEXT_X_PADDING + calculate_string_width(textwidth+1); height_of_button = BUTTON_TEXT_Y_PADDING + calculate_string_height(textheight, 0); } } if (!let_motif_choose_size) { if (height_of_buttonx_for_next_button; int y_label = _at->y_for_next_button; int x_button = x_label + width_of_label_and_spacer; int y_button = y_label; int org_correct_for_at_center = _at->correct_for_at_center; // store original justification int org_y_for_next_button = _at->y_for_next_button; // store original y pos (modified while creating label) if (!let_motif_choose_size) { // don't correct position of button w/o known size // calculate justification manually int width_of_button_and_highlight = width_of_button + (_at->highlight ? 2*(_at->shadow_thickness+1)+1 : 0); int width_of_label_and_button = width_of_label_and_spacer+width_of_button_and_highlight; if (_at->correct_for_at_center) { // not if left justified int shiftback = width_of_label_and_button; // shiftback for right justification if (_at->correct_for_at_center == 1) { // center justification shiftback /= 2; } x_label -= shiftback; x_button -= shiftback; } // we already did the justification by calculating all positions manually, so.. _at->correct_for_at_center = 0; // ..from now on act like "left justified"! } // correct label Y position if (_callback) { // only if button is a real 3D-button y_label += (height_of_button-height_of_label)/2; } Widget parent_widget = (_at->attach_any) ? INFO_FORM : INFO_WIDGET; Widget tmp_label = 0; if (_at->label_for_inputfield) { _at->x_for_next_button = x_label; _at->y_for_next_button = y_label; tmp_label = XtVaCreateManagedWidget( "label", xmLabelWidgetClass, parent_widget, XmNwidth, (int)(width_of_label + 2), RES_LABEL_CONVERT(_at->label_for_inputfield), XmNrecomputeSize, false, XmNalignment, XmALIGNMENT_BEGINNING, XmNfontList, p_global->fontlist, XmNx, (int)(x_label), XmNy, (int)(y_label), NULL ); if (_at->attach_any) aw_attach_widget(tmp_label,_at); AW_label_in_awar_list(this,tmp_label,_at->label_for_inputfield); } _at->x_for_next_button = x_button; _at->y_for_next_button = y_button; Widget fatherwidget = parent_widget; // used as father for button below if ( _at->highlight ) { if (_at->attach_any) { #if defined(DEBUG) printf("Attaching highlighted buttons does not work - " "highlight ignored for button '%s'!\n", buttonlabel); #endif // DEBUG _at->highlight = false; } else { int shadow_offset = _at->shadow_thickness; int x_shadow = x_button - shadow_offset; int y_shadow = y_button - shadow_offset; // x_button += shadow_offset; fatherwidget = XtVaCreateManagedWidget( "draw_area", xmFrameWidgetClass, INFO_WIDGET, XmNx, (int)(x_shadow), XmNy, (int)(y_shadow), // XmNmarginWidth, 3, // XmNmarginHeight,3, XmNshadowType, XmSHADOW_IN, XmNshadowThickness, _at->shadow_thickness, NULL); } } Widget button = 0; char *mwidth = let_motif_choose_size ? 0 : XmNwidth; // 0 means autodetect by motif char *mheight = let_motif_choose_size ? 0 : XmNheight; if (_callback) { if (_at->attach_any) { // attached button with callback button = XtVaCreateManagedWidget( "button", xmPushButtonWidgetClass, fatherwidget, RES_LABEL_CONVERT(buttonlabel), XmNx, (int)(x_button), XmNy, (int)(y_button), XmNshadowThickness, _at->shadow_thickness, XmNalignment, XmALIGNMENT_CENTER, XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, mwidth, (int)width_of_button, // may terminate the list mheight, (int)height_of_button, // may terminate the list NULL ); aw_attach_widget(button,_at); } else { // unattached button with callback button = XtVaCreateManagedWidget( "label", xmPushButtonWidgetClass, fatherwidget, RES_LABEL_CONVERT(buttonlabel), XmNx, (int)(x_button), XmNy, (int)(y_button), XmNrecomputeSize, false, XmNshadowThickness, _at->shadow_thickness, XmNalignment, XmALIGNMENT_CENTER, XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, mwidth, (int)width_of_button, // may terminate the list mheight, (int)height_of_button, // may terminate the list NULL ); } AW_label_in_awar_list(this,button,buttonlabel); root->make_sensitive(button, _at->widget_mask); } else { // button w/o callback (flat, not clickable) long alignment = (org_correct_for_at_center == 1) ? XmALIGNMENT_CENTER : XmALIGNMENT_BEGINNING; button = XtVaCreateManagedWidget( "label", xmLabelWidgetClass, parent_widget, XmNrecomputeSize, false, XmNx, (int)(x_button), XmNy, (int)(y_button), XmNalignment, alignment, // alignment of text inside button // XmNalignment, XmALIGNMENT_BEGINNING, // alignment of text inside button RES_LABEL_CONVERT(buttonlabel), XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, mwidth, (int)width_of_button, // may terminate the list mheight, (int)height_of_button, // may terminate the list NULL ); if (_at->attach_any) aw_attach_widget(button,_at); AW_JUSTIFY_LABEL(button,_at->correct_for_at_center); AW_label_in_awar_list(this,button,buttonlabel); } short height = 0; short width = 0; if (_at->to_position_exists) { // size has explicitly been specified in xfig -> calculate height = _at->to_position_y - _at->y_for_next_button; width = _at->to_position_x - _at->x_for_next_button; } { Widget toRecenter = 0; int recenterSize = 0; if (!height || !width) { // ask motif for real button size Widget ButOrHigh = _at->highlight ? fatherwidget : button; XtVaGetValues(ButOrHigh, XmNheight, &height, XmNwidth, &width, NULL); if (let_motif_choose_size) { if (_at->correct_for_at_center) { toRecenter = ButOrHigh; recenterSize = width; } width = 0; // ignore the used size (because it may use more than the window size) } } if (toRecenter) { int shiftback = 0; switch (_at->correct_for_at_center) { case 1: shiftback = recenterSize/2; break; case 2: shiftback = recenterSize; break; } if (shiftback) { XtVaSetValues(toRecenter, XmNx, x_button-shiftback, NULL); } } } _at->correct_for_at_center = org_correct_for_at_center; // restore original justification _at->y_for_next_button = org_y_for_next_button; p_w->toggle_field = button; this->_set_activate_callback((void *)button); this->unset_at_commands(); this->increment_at_commands(width+SPACE_BEHIND_BUTTON, height); } void AW_window::dump_at_position(const char *tmp_label) const { printf("%s at x = %i / y = %i\n", tmp_label, _at->x_for_next_button, _at->y_for_next_button); } void AW_window::update_label( int *widget, const char *var_value ) { Widget w = (Widget) widget; if ( get_root()->changer_of_variable != (long)widget ) { XtVaSetValues( w, RES_CONVERT( XmNlabelString, var_value ), NULL ); } else { get_root()->changer_of_variable = 0; } } /******************************************************************************************/ /*********************** 0/1 toggle ***************************/ /******************************************************************************************/ struct aw_toggle_data { bool isTextToggle; char *bitmapOrText[2]; int buttonWidth; // wanted width in characters }; void AW_window::update_toggle(int *wgt, const char *var, AW_CL cd_toggle_data) { aw_toggle_data *tdata = (aw_toggle_data*)cd_toggle_data; const char *text = tdata->bitmapOrText[(var[0] == '0' || var[0] == 'n') ? 0 : 1]; if (tdata->isTextToggle) { XtVaSetValues( (Widget)wgt, RES_CONVERT( XmNlabelString, text ), NULL ); } else { char *path = pixmapPath(text+1);; XtVaSetValues( (Widget)wgt, RES_CONVERT( XmNlabelPixmap, path ), NULL ); free(path); } } void AW_window::create_toggle(const char *var_name, aw_toggle_data *tdata) { AW_cb_struct *cbs = _callback; _callback = (AW_cb_struct *)1; { int old_length_of_buttons = _at->length_of_buttons; if (tdata->buttonWidth == 0) { if (tdata->isTextToggle) { int l1 = strlen(tdata->bitmapOrText[0]); int l2 = strlen(tdata->bitmapOrText[1]); _at->length_of_buttons = l1>l2 ? l1 : l2; // use longer text for button size } else { _at->length_of_buttons = 0; } } else { _at->length_of_buttons = tdata->buttonWidth; } create_button(0, tdata->bitmapOrText[0], 0); _at->length_of_buttons = old_length_of_buttons; } AW_awar *vs = this->get_root()->awar(var_name); { char *var_value = vs->read_as_string(); this->update_toggle((int*)p_w->toggle_field, var_value, (AW_CL)tdata); free(var_value); } AW_variable_update_struct *vus; vus = new AW_variable_update_struct( p_w->toggle_field, AW_WIDGET_TOGGLE, vs, 0, 0, 0, cbs ); XtAddCallback(p_w->toggle_field, XmNactivateCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) vus ); AW_INSERT_BUTTON_IN_AWAR_LIST( vs, (AW_CL)tdata, p_w->toggle_field, AW_WIDGET_TOGGLE, this); } void AW_window::create_toggle(const char *var_name,const char *no, const char *yes, int buttonWidth) { aw_toggle_data *tdata = new aw_toggle_data; tdata->isTextToggle = false; aw_assert(no[0] == '#'); aw_assert(yes[0] == '#'); tdata->bitmapOrText[0] = strdup(no); tdata->bitmapOrText[1] = strdup(yes); tdata->buttonWidth = buttonWidth; create_toggle(var_name, tdata); } void AW_window::create_text_toggle(const char *var_name, const char *noText, const char *yesText, int buttonWidth) { aw_toggle_data *tdata = new aw_toggle_data; tdata->isTextToggle = true; tdata->bitmapOrText[0] = strdup(noText); tdata->bitmapOrText[1] = strdup(yesText); tdata->buttonWidth = buttonWidth; create_toggle(var_name, tdata); } void AW_window::create_toggle( const char *var_name ) { create_toggle(var_name,"#no.bitmap","#yes.bitmap"); } void AW_window::create_inverse_toggle( const char *var_name ) { // like create_toggle, but displays inverse value // (i.e. it's checked if value is zero, and unchecked otherwise) create_toggle(var_name,"#yes.bitmap","#no.bitmap"); } /************************************************************************************************/ /************************************************************************************************/ /************************************************************************************************/ void AW_window::create_input_field( const char *var_name, int columns ) { Widget textField = 0; Widget tmp_label = 0; AW_cb_struct *cbs; AW_variable_update_struct *vus; char *String; int x_correcting_for_label = 0; check_at_pos(); if (!columns) columns = _at->length_of_buttons; AW_awar *vs = root->awar(var_name); String = root->awar( var_name )->read_as_string(); int width_of_input_label, height_of_input_label; calculate_label_size(this, &width_of_input_label, &height_of_input_label, true, 0); // @@@ FIXME: use height_of_input_label for propper Y-adjusting of label // width_of_input_label = this->calculate_string_width( calculate_label_length() ); int width_of_input = this->calculate_string_width(columns+1) + 9; // calculate width for 1 additional character (input field is not completely used) // + 4 pixel for shadow + 4 unknown missing pixels + 1 add. pixel needed for visible text area Widget parentWidget = _at->attach_any ? INFO_FORM : INFO_WIDGET; if ( _at->label_for_inputfield ) { tmp_label = XtVaCreateManagedWidget( "label", xmLabelWidgetClass, parentWidget, XmNwidth, (int)(width_of_input_label + 2), XmNhighlightThickness, 0, RES_CONVERT( XmNlabelString, _at->label_for_inputfield ), XmNrecomputeSize, false, XmNalignment, XmALIGNMENT_BEGINNING, XmNfontList, p_global->fontlist, (_at->attach_any) ? NULL:XmNx,(int)_at->x_for_next_button, XmNy, (int)(_at->y_for_next_button)+ root->y_correction_for_input_labels -1, NULL ); if (_at->attach_any) aw_attach_widget(tmp_label,_at); x_correcting_for_label = width_of_input_label + 10; } int width_of_last_widget = x_correcting_for_label + width_of_input + 2; if ( _at->to_position_exists ) { width_of_input = _at->to_position_x - _at->x_for_next_button - x_correcting_for_label + 2; width_of_last_widget = _at->to_position_x - _at->x_for_next_button; } { TuneBackground(parentWidget, TUNE_INPUT); textField = XtVaCreateManagedWidget( "textField", xmTextFieldWidgetClass, parentWidget, XmNwidth, (int)width_of_input, XmNrows, 1, XmNvalue, String, XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, (_at->attach_any) ? NULL:XmNx, (int)(_at->x_for_next_button + x_correcting_for_label ), XmNy, (int)(_at->y_for_next_button + 5) - 8, NULL ); if (_at->attach_any) aw_attach_widget(textField,_at); } free(String); // user-own callback cbs = _callback; // callback for enter vus = new AW_variable_update_struct( textField, AW_WIDGET_INPUT_FIELD, vs, 0, 0, 0, cbs ); XtAddCallback(textField, XmNactivateCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) vus ); if (_d_callback) { XtAddCallback(textField, XmNactivateCallback, (XtCallbackProc) AW_server_callback, (XtPointer) _d_callback ); _d_callback->id = GBS_global_string_copy("INPUT:%s",var_name); get_root()->define_remote_command(_d_callback); } // callback for losing focus XtAddCallback(textField, XmNlosingFocusCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) vus ); // callback for value changed XtAddCallback(textField, XmNvalueChangedCallback, (XtCallbackProc) AW_value_changed_callback, (XtPointer) root ); AW_INSERT_BUTTON_IN_AWAR_LIST( vs,0, textField, AW_WIDGET_INPUT_FIELD, this); root->make_sensitive(textField, _at->widget_mask); short height; XtVaGetValues( textField, XmNheight, &height, NULL); int height_of_last_widget = height; if ( _at->correct_for_at_center == 1 ) { // middle centered XtVaSetValues( textField, XmNx, ((int)(_at->x_for_next_button + x_correcting_for_label) - (int)(width_of_last_widget/2) + 1 ), NULL ); if ( tmp_label ) { XtVaSetValues( tmp_label, XmNx, ((int)(_at->x_for_next_button) - (int)(width_of_last_widget/2) + 1 ), NULL ); } width_of_last_widget = width_of_last_widget / 2; } if ( _at->correct_for_at_center == 2 ) { // right centered XtVaSetValues( textField, XmNx, (int)(_at->x_for_next_button + x_correcting_for_label - width_of_last_widget + 3 ), NULL ); if ( tmp_label ) { XtVaSetValues( tmp_label, XmNx, (int)(_at->x_for_next_button - width_of_last_widget + 3 ), NULL ); } width_of_last_widget = 0; } width_of_last_widget -= 2; this->unset_at_commands(); this->increment_at_commands( width_of_last_widget, height_of_last_widget ); } void AW_window::update_input_field(int *widget, const char *var_value ) { Widget w = (Widget) widget; XtVaSetValues( w, XmNvalue, var_value, NULL ); } void AW_window::create_text_field( const char *var_name, int columns, int rows ) { Widget scrolledWindowText; Widget scrolledText; Widget tmp_label =0; AW_cb_struct *cbs; AW_variable_update_struct *vus; char *String = NULL; short width_of_last_widget = 0; short height_of_last_widget = 0; int width_of_text = 0; int height_of_text = 0; int x_correcting_for_label = 0; AW_awar *vs = root->awar(var_name); String = root->awar( var_name )->read_string(); int width_of_text_label, height_of_text_label; calculate_label_size(this, &width_of_text_label, &height_of_text_label, true, 0); // @@@ FIXME: use height_of_text_label for propper Y-adjusting of label // width_of_text_label = this->calculate_string_width( calculate_label_length() ); width_of_text = this->calculate_string_width( columns ) + 18; height_of_text = this->calculate_string_height( rows, rows*4 ) + 9; if ( _at->label_for_inputfield ) { tmp_label = XtVaCreateManagedWidget( "label", xmLabelWidgetClass, INFO_WIDGET, XmNx, (int)_at->x_for_next_button, XmNy, (int)(_at->y_for_next_button) + this->get_root()->y_correction_for_input_labels + 5 - 6, XmNwidth, (int)(width_of_text_label + 2), RES_CONVERT( XmNlabelString, _at->label_for_inputfield ), XmNrecomputeSize, false, XmNalignment, XmALIGNMENT_BEGINNING, XmNfontList, p_global->fontlist, NULL ); x_correcting_for_label = width_of_text_label + 10; } if (_at->to_position_exists){ scrolledWindowText = XtVaCreateManagedWidget( "scrolledWindowList1", xmScrolledWindowWidgetClass, INFO_FORM, XmNscrollingPolicy, XmAPPLICATION_DEFINED, XmNvisualPolicy, XmVARIABLE, XmNscrollBarDisplayPolicy, XmSTATIC, XmNfontList, p_global->fontlist, NULL ); aw_attach_widget(scrolledWindowText,_at); width_of_text = _at->to_position_x - _at->x_for_next_button - x_correcting_for_label - 18; if ( _at->y_for_next_button < _at->to_position_y - 18 ) { height_of_text = _at->to_position_y - _at->y_for_next_button - 18; } }else{ scrolledWindowText = XtVaCreateManagedWidget( "scrolledWindowText", xmScrolledWindowWidgetClass, INFO_WIDGET, XmNscrollingPolicy, XmAPPLICATION_DEFINED, XmNvisualPolicy, XmVARIABLE, XmNscrollBarDisplayPolicy, XmSTATIC, XmNx, (int)10, XmNy, (int)_at->y_for_next_button, XmNfontList, p_global->fontlist, NULL ); } TuneBackground(scrolledWindowText, TUNE_INPUT); scrolledText = XtVaCreateManagedWidget( "scrolledText1", xmTextWidgetClass, scrolledWindowText, XmNeditMode, XmMULTI_LINE_EDIT , XmNvalue, String, XmNscrollLeftSide, false, XmNwidth, (int)width_of_text, XmNheight, (int)height_of_text, XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, NULL ); free(String); if (!_at->to_position_exists){ XtVaGetValues( scrolledWindowText, XmNheight, &height_of_last_widget, XmNwidth, &width_of_last_widget, NULL); width_of_last_widget += (short)x_correcting_for_label; switch(_at->correct_for_at_center){ case 0: // left centered XtVaSetValues( scrolledWindowText, XmNx, (int)(_at->x_for_next_button + x_correcting_for_label), NULL); break; case 1: // middle centered XtVaSetValues( scrolledWindowText, XmNx, (int)( _at->x_for_next_button + x_correcting_for_label - (width_of_last_widget/2) ), NULL); if ( _at->label_for_inputfield ) { XtVaSetValues( tmp_label, XmNx, (int)( _at->x_for_next_button - (width_of_last_widget/2) ), NULL ); } width_of_last_widget = width_of_last_widget / 2; break; case 2: // right centered XtVaSetValues( scrolledWindowText, XmNx, (int)( _at->x_for_next_button + x_correcting_for_label - width_of_last_widget ) , NULL); if ( _at->label_for_inputfield ) { XtVaSetValues( tmp_label, XmNx, (int)( _at->x_for_next_button - width_of_last_widget ), NULL ); } width_of_last_widget = 0; break; } } // user-own callback cbs = _callback; // callback for enter vus = new AW_variable_update_struct( scrolledText, AW_WIDGET_TEXT_FIELD, vs, 0, 0, 0, cbs ); XtAddCallback(scrolledText, XmNactivateCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) vus ); // callback for losing focus XtAddCallback(scrolledText, XmNlosingFocusCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) vus ); // callback for value changed XtAddCallback(scrolledText, XmNvalueChangedCallback, (XtCallbackProc) AW_value_changed_callback, (XtPointer) root ); AW_INSERT_BUTTON_IN_AWAR_LIST( vs,0, scrolledText, AW_WIDGET_TEXT_FIELD, this); root->make_sensitive(scrolledText, _at->widget_mask); this->unset_at_commands(); this->increment_at_commands( width_of_last_widget, height_of_last_widget ); } void AW_window::update_text_field( int *widget, const char *var_value ) { Widget w = (Widget ) widget; XtVaSetValues( w, XmNvalue, var_value, NULL ); } /****************************************************************************************************************************/ /****************************************************************************************************************************/ /****************************************************************************************************************************/ AW_selection_list* AW_window::create_selection_list( const char *var_name, const char *tmp_label, const char *mnemonic, int columns, int rows ) { AWUSE(mnemonic); Widget scrolledWindowList; Widget scrolledList; Widget l = 0; AW_variable_update_struct *vus; AW_cb_struct *cbs; int width_of_label = 0, height_of_label = 0; int width_of_list; int height_of_list; int width_of_last_widget = 0; int height_of_last_widget = 0; if ( _at->label_for_inputfield ) { tmp_label = _at->label_for_inputfield; } check_at_pos(); AW_awar *vs = 0; if (var_name) vs = root->awar(var_name); if ( tmp_label ) { calculate_label_size(this, &width_of_label, &height_of_label, true, tmp_label); // @@@ FIXME: use height_of_label for propper Y-adjusting of label // width_of_label = this->calculate_string_width( calculate_label_length() ); l = XtVaCreateManagedWidget( "label", xmLabelWidgetClass, INFO_WIDGET, XmNx, (int)10, XmNy, (int)(_at->y_for_next_button) + this->get_root()->y_correction_for_input_labels - 1, XmNwidth, (int)(width_of_label + 2), RES_CONVERT( XmNlabelString, tmp_label ), XmNrecomputeSize, false, XmNalignment, XmALIGNMENT_BEGINNING, NULL ); width_of_label += 10; } width_of_list = this->calculate_string_width( columns ) + 9; height_of_list = this->calculate_string_height( rows, 4*rows ) + 9; if (_at->to_position_exists){ width_of_list = _at->to_position_x - _at->x_for_next_button - width_of_label - 18; if ( _at->y_for_next_button < _at->to_position_y - 18 ) { height_of_list = _at->to_position_y - _at->y_for_next_button - 18; } scrolledWindowList = XtVaCreateManagedWidget( "scrolledWindowList1", xmScrolledWindowWidgetClass, INFO_FORM, XmNvisualPolicy, XmVARIABLE, XmNscrollBarDisplayPolicy, XmSTATIC, XmNshadowThickness, 0, XmNfontList, p_global->fontlist, NULL ); aw_attach_widget(scrolledWindowList,_at); width_of_last_widget = _at->to_position_x - _at->x_for_next_button; height_of_last_widget = _at->to_position_y - _at->y_for_next_button; }else{ scrolledWindowList = XtVaCreateManagedWidget( "scrolledWindowList1", xmScrolledWindowWidgetClass, INFO_WIDGET, XmNscrollingPolicy, XmAPPLICATION_DEFINED, XmNvisualPolicy, XmVARIABLE, XmNscrollBarDisplayPolicy, XmSTATIC, XmNshadowThickness, 0, XmNx, (int)10, XmNy, (int)(_at->y_for_next_button), XmNfontList, p_global->fontlist, NULL ); } { int select_type = XmMULTIPLE_SELECT; if (vs) select_type = XmSINGLE_SELECT; TuneBackground(scrolledWindowList, TUNE_INPUT); scrolledList = XtVaCreateManagedWidget( "scrolledList1", xmListWidgetClass, scrolledWindowList, XmNwidth, (int)width_of_list, XmNheight, (int) height_of_list, XmNscrollBarDisplayPolicy, XmSTATIC, XmNselectionPolicy, select_type, XmNlistSizePolicy, XmCONSTANT, XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, NULL ); } if (!_at->to_position_exists){ short height; XtVaGetValues( scrolledList, XmNheight, &height, NULL); height_of_last_widget = height + 20; width_of_last_widget = width_of_label + width_of_list + 20; switch(_at->correct_for_at_center){ case 3: break; case 0: // left centered XtVaSetValues( scrolledWindowList, XmNx, (int)(_at->x_for_next_button + width_of_label), NULL ); if ( tmp_label ) { XtVaSetValues( l, XmNx, (int)(_at->x_for_next_button), NULL ); } break; case 1: // middle centered XtVaSetValues( scrolledWindowList, XmNx, (int)( _at->x_for_next_button - (width_of_last_widget/2) + width_of_label), NULL ); if ( tmp_label ) { XtVaSetValues( l, XmNx, (int)(_at->x_for_next_button - (width_of_last_widget/2) ), NULL ); } width_of_last_widget = width_of_last_widget / 2; break; case 2: // right centered XtVaSetValues( scrolledWindowList, XmNx, (int)(_at->x_for_next_button - width_of_list - 18), NULL ); if ( tmp_label ) { XtVaSetValues( l, XmNx, (int)(_at->x_for_next_button - width_of_last_widget - 18), NULL ); } width_of_last_widget = 0; } } { int type = GB_STRING; if (vs) type = vs->variable_type; if ( p_global->selection_list ) { p_global->last_selection_list->next = new AW_selection_list( var_name, type, scrolledList ); p_global->last_selection_list = p_global->last_selection_list->next; }else { p_global->last_selection_list = p_global->selection_list = new AW_selection_list( var_name, type, scrolledList ); } } // user-own callback cbs = _callback; // callback for enter if (vs){ vus = new AW_variable_update_struct( scrolledList, AW_WIDGET_SELECTION_LIST, vs, 0, 0, 0, cbs ); vus->id = (void*)p_global->last_selection_list; XtAddCallback(scrolledList, XmNsingleSelectionCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) vus ); if ( _d_callback) { XtAddCallback(scrolledList, XmNdefaultActionCallback, (XtCallbackProc) AW_server_callback, (XtPointer) _d_callback ); } AW_INSERT_BUTTON_IN_AWAR_LIST( vs,(AW_CL)p_global->last_selection_list, scrolledList, AW_WIDGET_SELECTION_LIST, this); root->make_sensitive(scrolledList, _at->widget_mask); } this->unset_at_commands(); this->increment_at_commands( width_of_last_widget, height_of_last_widget ); return p_global->last_selection_list; } AW_selection_list *AW_window::create_multi_selection_list(const char *tmp_label, const char *mnemonic, int columns, int rows){ return create_selection_list(0,tmp_label,mnemonic,columns,rows); } void AW_window::conc_list(AW_selection_list *from_list,AW_selection_list *to_list) { AW_select_table_struct *from_list_table; from_list_table = from_list->list_table; while (from_list_table) { if (from_list->default_select != from_list_table) { if (! to_list->list_table) to_list->last_of_list_table = to_list->list_table = new AW_select_table_struct( from_list_table->displayed, from_list_table->char_value ); else { to_list->last_of_list_table->next = new AW_select_table_struct( from_list_table->displayed, from_list_table->char_value ); to_list->last_of_list_table = to_list->last_of_list_table->next; to_list->last_of_list_table->next = NULL; } } from_list_table = from_list_table->next; } clear_selection_list( from_list ); insert_default_selection( from_list, "", ""); } // -------------------------------------------------- // iterator through selection list: // -------------------------------------------------- static AW_select_table_struct *current_list_table = 0; void AW_window::init_list_entry_iterator(AW_selection_list *selection_list) { current_list_table = selection_list->list_table; } void AW_window::iterate_list_entry(int offset) { while (offset--) { if (!current_list_table) break; current_list_table = current_list_table->next; } } const char *AW_window::get_list_entry_char_value() { return current_list_table ? current_list_table->char_value : 0; } const char *AW_window::get_list_entry_displayed() { return current_list_table ? current_list_table->displayed : 0; } void AW_window::set_list_entry_char_value(const char *new_char_value) { if (!current_list_table) AW_ERROR("No Selection List Iterator"); freeset(current_list_table->char_value, AW_select_table_struct::copy_string(new_char_value)); } void AW_window::set_list_entry_displayed(const char *new_displayed) { if (!current_list_table) AW_ERROR("No Selection List Iterator"); freeset(current_list_table->displayed, AW_select_table_struct::copy_string(new_displayed)); } /* const char *AW_window::get_list_entry(AW_selection_list *selection_list, int val) //val = 1 initialisiert das Ganze, val=0 holt naechsten Eintrag { static int last = 0; char *result; if (last == 1 && !val) { last = 2; if (!list_table) return NULL; else return list_table->char_value;; } if (last == 2 && !val) return NULL; if (val) { last = 0; list_table = NULL; return NULL; } if (!list_table) list_table = selection_list->list_table; if (!list_table) { last = 2; return NULL; } result = list_table->char_value; list_table = list_table->next; if (!list_table || list_table == selection_list->last_of_list_table) last = 1; return result; } */ void AW_window::set_selection_list_suffix(AW_selection_list *selection_list, const char *suffix){ char filter[200]; sprintf(filter,"tmp/save_box_sel_%li/filter",(long)selection_list); get_root()->awar_string(filter,suffix); sprintf(filter,"tmp/load_box_sel_%li/filter",(long)selection_list); get_root()->awar_string(filter,suffix);} int AW_window::get_no_of_entries( AW_selection_list *selection_list ) { AW_select_table_struct *list_table; int count = 0; for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) count++; if( selection_list->default_select ) count++; return count; } int AW_window::get_index_of_current_element(AW_selection_list *selection_list, const char *awar_name) { // returns -1 if no entry is selected AW_root *aw_root = get_root(); char *curr_value = aw_root->awar(awar_name)->read_string(); int index = get_index_of_element(selection_list, curr_value); #if defined(DEBUG) && 0 printf("get_index_of_current_element: curr_value='%s' index=%i\n", curr_value, index); #endif // DEBUG free(curr_value); return index; } void AW_window::select_index(AW_selection_list *selection_list, const char *awar_name, int wanted_index) { AW_root *aw_root = get_root(); char *wanted_value = get_element_of_index(selection_list, wanted_index); #if defined(DEBUG) && 0 printf("select_index : wanted_index=%i wanted_value='%s'\n", wanted_index, wanted_value); #endif // DEBUG if (wanted_value) { aw_root->awar(awar_name)->write_string(wanted_value); free(wanted_value); } else { aw_root->awar(awar_name)->write_string(""); } } void AW_window::move_selection(AW_selection_list *selection_list, const char *awar_name, int offset) { int index = get_index_of_current_element(selection_list, awar_name); select_index(selection_list, awar_name, index+offset); // int curr_idx; // { // char *curr_value = list_awar->read_string(); // curr_idx = get_index_of_element(selection_list, curr_value); // free(curr_value); // } // if (curr_idx == -1) { // curr_idx = 0; // } // else { // curr_idx += offset; // } // const char *new_value = get_element_of_index(selection_list, curr_idx); // if (new_value) { // list_awar->write_string(new_value); // } // return 0; } /*-------------------- function to get index of an entry in the selection lists -------------------- */ int AW_window::get_index_of_element(AW_selection_list *selection_list, const char *searched_value){ int element_index = 0; int found_index = -1; const char *listEntry = selection_list->first_element(); while (listEntry) { if (strcmp(listEntry, searched_value) == 0) { found_index = element_index; break; // found } ++element_index; listEntry = selection_list->next_element(); } return element_index; } /*-------------------- function to get value of entry in the selection list for the index passed -------------------- */ char *AW_window::get_element_of_index(AW_selection_list *selection_list, int index) { char *element = 0; if (index >= 0) { int element_index = 0; const char *listEntry = selection_list->first_element(); while (listEntry) { if (element_index == index) { element = strdup(listEntry); break; } ++element_index; listEntry = selection_list->next_element(); } } return element; } void AW_window::delete_selection_from_list( AW_selection_list *selection_list, const char *disp_string ) { AW_select_table_struct *list_table, *next = NULL, *prev = NULL; char *ptr; int count = 0; for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) count++; if( selection_list->default_select ) count++; if (count == 2) { //Letzter Eintrag + default selection clear_selection_list( selection_list ); } for ( list_table = selection_list->list_table, next = selection_list->list_table; list_table; prev = next, list_table = list_table->next, next = list_table) { ptr = list_table->displayed; if ( strcmp( disp_string, ptr ) == 0 ) { next = list_table->next; if (prev) prev->next = next; else selection_list->list_table = next; if (!list_table->next && prev) selection_list->last_of_list_table = prev; if ( selection_list->default_select == list_table ) { selection_list->default_select = NULL; insert_default_selection( selection_list, "", ""); } delete list_table; return; } } } static void type_mismatch(const char *triedType, const char *intoWhat) { AW_ERROR("Cannot insert %s into %s which uses a non-%s AWAR", triedType, intoWhat, triedType); } inline void selection_type_mismatch(const char *triedType) { type_mismatch(triedType, "selection-list"); } inline void option_type_mismatch(const char *triedType) { type_mismatch(triedType, "option-menu"); } inline void toggle_type_mismatch(const char *triedType) { type_mismatch(triedType, "toggle"); } void AW_window::insert_selection(AW_selection_list *selection_list, const char *displayed, const char *value) { if (selection_list->variable_type != AW_STRING) { selection_type_mismatch("string"); return; } if (selection_list->list_table) { selection_list->last_of_list_table->next = new AW_select_table_struct(displayed, value); selection_list->last_of_list_table = selection_list->last_of_list_table->next; selection_list->last_of_list_table->next = NULL; }else { selection_list->last_of_list_table = selection_list->list_table = new AW_select_table_struct(displayed, value); } } void AW_window::insert_default_selection(AW_selection_list *selection_list, const char *displayed, const char *value) { if (selection_list->variable_type != AW_STRING) { selection_type_mismatch("string"); return; } if (selection_list->default_select) { delete selection_list->default_select; } selection_list->default_select = new AW_select_table_struct(displayed, value); } #if defined(DEVEL_RALF) #warning parameter value must be int32_t #endif // DEVEL_RALF void AW_window::insert_selection(AW_selection_list *selection_list, const char *displayed, long value) { if (selection_list->variable_type != AW_INT) { selection_type_mismatch("int"); return; } if (selection_list->list_table) { selection_list->last_of_list_table->next = new AW_select_table_struct(displayed, value); selection_list->last_of_list_table = selection_list->last_of_list_table->next; selection_list->last_of_list_table->next = NULL; }else { selection_list->last_of_list_table = selection_list->list_table = new AW_select_table_struct(displayed, value); } } #if defined(DEVEL_RALF) #warning parameter value must be int32_t #endif // DEVEL_RALF void AW_window::insert_default_selection(AW_selection_list *selection_list, const char *displayed, long value) { if (selection_list->variable_type != AW_INT) { selection_type_mismatch("int"); return; } if (selection_list->default_select) { delete selection_list->default_select; } selection_list->default_select = new AW_select_table_struct(displayed, value); } void AW_window::insert_selection(AW_selection_list * selection_list, const char *displayed, void *pointer) { if (selection_list->variable_type != AW_POINTER) { selection_type_mismatch("pointer"); return; } if (selection_list->list_table) { selection_list->last_of_list_table->next = new AW_select_table_struct(displayed, pointer); selection_list->last_of_list_table = selection_list->last_of_list_table->next; selection_list->last_of_list_table->next = NULL; }else { selection_list->last_of_list_table = selection_list->list_table = new AW_select_table_struct(displayed, pointer); } } void AW_window::insert_default_selection(AW_selection_list * selection_list, const char *displayed, void *pointer) { if (selection_list->variable_type != AW_POINTER) { selection_type_mismatch("pointer"); return; } if (selection_list->default_select) { delete selection_list->default_select; } selection_list->default_select = new AW_select_table_struct(displayed, pointer); } void AW_window::clear_selection_list(AW_selection_list *selection_list) { AW_select_table_struct *list_table; AW_select_table_struct *help; for (help = selection_list->list_table; help; ) { list_table = help; help = list_table->next; delete list_table; } if (selection_list->default_select) { delete selection_list->default_select; } selection_list->list_table = NULL; selection_list->last_of_list_table = NULL; selection_list->default_select = NULL; } inline XmString XmStringCreateSimple_wrapper(const char *text) { return XmStringCreateSimple((char*)text); } void AW_window::update_selection_list( AW_selection_list * selection_list ) { AW_select_table_struct *list_table; int count = 0; count = 0; int i; for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) count++; if( selection_list->default_select ) count++; XmString *strtab = new XmString[count]; count = 0; const char *s2; for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ){ s2 = list_table->displayed; if (!strlen(s2)) s2 = " "; strtab[count] = XmStringCreateSimple_wrapper(s2); count++; } if( selection_list->default_select ) { s2 = selection_list->default_select->displayed; if (!strlen(s2)) s2 = " "; strtab[count] = XmStringCreateSimple_wrapper(s2); count++; } if (!count){ strtab[count] = XmStringCreateSimple_wrapper(" "); count ++; } XtVaSetValues( selection_list->select_list_widget, XmNitemCount, count, XmNitems, strtab , NULL ); update_selection_list_intern( selection_list ); for (i=0; ivariable_name) return; // not connected to awar bool found = false; pos = 0; switch ( selection_list->variable_type ) { case AW_STRING: { char *var_value = root->awar( selection_list->variable_name )->read_string(); for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) { if ( strcmp( var_value, list_table->char_value ) == 0 ) { found = true; break; } pos++; } free(var_value); break; } case AW_INT: { int var_value = root->awar( selection_list->variable_name )->read_int(); for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) { if ( var_value == list_table->int_value ) { found = true; break; } pos++; } break; } case AW_FLOAT: { float var_value = root->awar( selection_list->variable_name )->read_float(); for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) { if ( var_value == list_table->float_value ) { found = true; break; } pos++; } break; } case AW_POINTER: { void *var_value = root->awar( selection_list->variable_name )->read_pointer(); for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) { if ( var_value == list_table->pointer_value ) { found = true; break; } pos++; } break; } default: gb_assert(0); GB_warning("Unknown AWAR type"); break; } if (found || selection_list->default_select) { pos++; int top; int vis; XtVaGetValues(selection_list->select_list_widget, XmNvisibleItemCount, &vis, XmNtopItemPosition, &top, NULL); XmListSelectPos(selection_list->select_list_widget,pos,False); if (pos < top) { if (pos > 1) pos --; XmListSetPos(selection_list->select_list_widget,pos); } if (pos >= top + vis) { XmListSetBottomPos(selection_list->select_list_widget,pos + 1 ); } } else { AW_ERROR("Selection list '%s' has no default selection", selection_list->variable_name); } } void AW_selection_list::selectAll(){ int i; AW_select_table_struct *lt; for (i=0,lt = list_table; lt; i++,lt = lt->next){ XmListSelectPos(select_list_widget,i,False); } if (default_select){ XmListSelectPos(select_list_widget,i,False); } } void AW_selection_list::deselectAll(){ XmListDeselectAllItems(select_list_widget); } const char *AW_selection_list::first_element(){ AW_select_table_struct *lt; for (lt = list_table; lt; lt = lt->next){ lt->is_selected = 1; } loop_pntr = list_table; if (!loop_pntr) return 0; return loop_pntr->char_value; } const char *AW_selection_list::next_element(){ if (!loop_pntr) return 0; loop_pntr = loop_pntr->next; if (!loop_pntr) return 0; while (loop_pntr && !loop_pntr->is_selected) loop_pntr=loop_pntr->next; if (!loop_pntr) return 0; return loop_pntr->char_value; } const char *AW_selection_list::first_selected(){ int i; AW_select_table_struct *lt; loop_pntr = 0; for (i=1,lt = list_table; lt; i++,lt = lt->next){ lt->is_selected = XmListPosSelected(select_list_widget,i); if (lt->is_selected && !loop_pntr) loop_pntr = lt; } if (default_select){ default_select->is_selected = XmListPosSelected(select_list_widget,i); if (default_select->is_selected && !loop_pntr) loop_pntr = lt; } if (!loop_pntr) return 0; return loop_pntr->char_value; } char *AW_window::get_selection_list_contents( AW_selection_list * selection_list, long number_of_lines) { // number_of_lines == 0 -> print all AW_select_table_struct *list_table; GBS_strstruct *fd = GBS_stropen(10000); for ( list_table = selection_list->list_table; list_table; list_table = list_table->next ) { number_of_lines--; GBS_strcat(fd,list_table->displayed); GBS_chrcat(fd,'\n'); if (!number_of_lines) break; } return GBS_strclose(fd); } GB_HASH *AW_window::selection_list_to_hash(AW_selection_list *sel_list, bool case_sens) { // creates a hash (key = value of selection list, value = display string from selection list) int counter = 0; AW_select_table_struct *list_table; for ( list_table = sel_list->list_table; list_table; list_table = list_table->next ) { counter ++; } GB_HASH *hash = GBS_create_hash(2*counter, case_sens ? GB_MIND_CASE : GB_IGNORE_CASE); for ( list_table = sel_list->list_table; list_table; list_table = list_table->next ) { GBS_write_hash(hash, list_table->char_value, (long)list_table->displayed); } return hash; } extern "C" { int AW_sort_AW_select_table_struct(const void *t1, const void *t2, void *) { return strcmp(static_cast(t1)->displayed, static_cast(t2)->displayed); } int AW_sort_AW_select_table_struct_backward(const void *t1, const void *t2, void *) { return strcmp(static_cast(t2)->displayed, static_cast(t1)->displayed); } int AW_isort_AW_select_table_struct(const void *t1, const void *t2, void *) { return ARB_stricmp(static_cast(t1)->displayed, static_cast(t2)->displayed); } int AW_isort_AW_select_table_struct_backward(const void *t1, const void *t2, void *) { return ARB_stricmp(static_cast(t2)->displayed, static_cast(t1)->displayed); } } AW_selection_list* AW_window::copySelectionList(AW_selection_list *sourceList, AW_selection_list *destinationList){ if (destinationList) clear_selection_list(destinationList); else { printf(" Destination list not initialized!!\n"); return 0; } const char *readListItem = sourceList->first_element(); while (readListItem) { insert_selection(destinationList,readListItem,readListItem); readListItem = sourceList->next_element(); } insert_default_selection(destinationList,"END of List", ""); update_selection_list(destinationList); return destinationList; } void AW_window::sort_selection_list( AW_selection_list * selection_list, int backward, int case_sensitive) { AW_select_table_struct *list_table; long count = 0; for ( list_table = selection_list->list_table; list_table; list_table = list_table->next){ count ++; } if (!count) return; AW_select_table_struct **tables = new AW_select_table_struct *[count]; count = 0; for ( list_table = selection_list->list_table; list_table; list_table = list_table->next){ tables[count] = list_table; count ++; } gb_compare_function comparator; if (backward) { if (case_sensitive) comparator = AW_sort_AW_select_table_struct_backward; else comparator = AW_isort_AW_select_table_struct_backward; } else { if (case_sensitive) comparator = AW_sort_AW_select_table_struct; else comparator = AW_isort_AW_select_table_struct; } GB_sort((void**)tables, 0, count, comparator, 0); long i; for (i=0;inext = tables[i+1]; } tables[i]->next = 0; selection_list->list_table = tables[0]; selection_list->last_of_list_table = tables[i]; delete [] tables; return; } GB_ERROR AW_window::save_selection_list( AW_selection_list * selection_list, const char *filename, long number_of_lines) { // number_of_lines == 0 -> print all AW_select_table_struct *list_table; FILE *fd; fd = fopen( filename, "w"); if (!fd) { return GB_export_IO_error("writing", filename); } for ( list_table = selection_list->list_table; list_table; list_table = list_table->next) { char *sep = 0; if (selection_list->value_equal_display == false) { sep = strstr(list_table->displayed,"#"); // interpret displayed as 'value#displayed' (old general behavior) } int res; if (sep) { // replace first '#' with ',' (that's loaded different) *sep = 0; fprintf( fd, "%s,",list_table->displayed ); *sep++ = '#'; res = fprintf( fd, "%s\n",sep ); } else { res = fprintf( fd, "%s\n", list_table->displayed ); // save plain (no interpretation) } if (res<0) { aw_message("Disc Full"); break; } if (--number_of_lines == 0) break; // number_of_lines == 0 -> write all lines; otherwise write number_of_lines lines } fclose( fd ); return 0; } GB_ERROR AW_window::load_selection_list( AW_selection_list *selection_list, const char *filename) { char *nl; char *ko; char *pl; this->clear_selection_list(selection_list); char **fnames = GBS_read_dir(filename, NULL); char **fname; for (fname = fnames; *fname; fname++){ char *data = GB_read_file(*fname); if (!data){ GB_print_error(); continue; } int correct_old_format = -1; for (pl = data; pl; pl = nl) { ko = strchr(pl,','); // look for ',' if (ko) { if (selection_list->value_equal_display) { // here no comma should occur if (correct_old_format == -1) { correct_old_format = aw_ask_sure(GBS_global_string("'%s' seems to be in old selection-list-format. Try to correct?", *fname)); } if (correct_old_format == 1) { *ko = '#'; // restore (was converted by old-version save) ko = 0; // ignore comma } } } if (ko) *(ko++) = 0; else ko = pl; // if no comma -> display same as value while (*ko == ' ' || *ko == '\t') ko++; nl = strchr(ko,'\n'); if (nl) *(nl++) = 0; if (ko[0] && pl[0] != '#') this->insert_selection(selection_list,pl,ko); } free(data); } GBT_free_names(fnames); this->insert_default_selection(selection_list,"",""); this->update_selection_list(selection_list); return 0; } // -------------------------------------------------------------------------------- // Options-Menu // -------------------------------------------------------------------------------- AW_option_menu_struct *AW_window::create_option_menu( const char *var_name, AW_label tmp_label, const char *mnemonic ) { Widget optionMenu_shell; Widget optionMenu; Widget optionMenu1; int x_for_position_of_menu; if ( _at->label_for_inputfield ) { tmp_label = _at->label_for_inputfield; } check_at_pos(); if ( _at->correct_for_at_center ) { // _at->correct_for_at_center_intern = _at->correct_for_at_center; if ( tmp_label ) { _at->saved_x = _at->x_for_next_button; x_for_position_of_menu = 10; } else { _at->saved_x = _at->x_for_next_button; x_for_position_of_menu = 10; } } else { if ( tmp_label ) { x_for_position_of_menu = _at->x_for_next_button - 3; } else { x_for_position_of_menu = _at->x_for_next_button - 3 - 7; } } optionMenu_shell = XtVaCreatePopupShell ("optionMenu shell", xmMenuShellWidgetClass, INFO_WIDGET, XmNwidth, 1, XmNheight, 1, XmNallowShellResize, true, XmNoverrideRedirect, true, XmNfontList, p_global->fontlist, NULL ); optionMenu = XtVaCreateWidget( "optionMenu_p1", xmRowColumnWidgetClass, optionMenu_shell, XmNrowColumnType, XmMENU_PULLDOWN, XmNfontList, p_global->fontlist, NULL ); if ( tmp_label ) { char *help_label; int width_help_label, height_help_label; calculate_label_size(this, &width_help_label, &height_help_label, false, tmp_label); // @@@ FIXME: use height_help_label for Y-alignment #if defined(DUMP_BUTTON_CREATION) printf("width_help_label=%i label='%s'\n", width_help_label, tmp_label); #endif // DUMP_BUTTON_CREATION help_label = this->align_string( tmp_label, width_help_label); // help_label = this->align_string( tmp_label, calculate_label_length() ); if (mnemonic && mnemonic[0] && strchr(tmp_label,mnemonic[0])){ optionMenu1 = XtVaCreateManagedWidget( "optionMenu1", xmRowColumnWidgetClass, INFO_WIDGET, XmNrowColumnType, XmMENU_OPTION, XmNsubMenuId, optionMenu, XmNfontList, p_global->fontlist, XmNx, (int)x_for_position_of_menu, XmNy, (int)(_at->y_for_next_button - 5), RES_CONVERT( XmNlabelString, help_label ), RES_CONVERT( XmNmnemonic, mnemonic ), NULL ); }else{ optionMenu1 = XtVaCreateManagedWidget( "optionMenu1", xmRowColumnWidgetClass, INFO_WIDGET, XmNrowColumnType, XmMENU_OPTION, XmNsubMenuId, optionMenu, XmNfontList, p_global->fontlist, XmNx, (int)x_for_position_of_menu, XmNy, (int)(_at->y_for_next_button - 5), RES_CONVERT( XmNlabelString, help_label ), NULL ); } free(help_label); } else { optionMenu1 = XtVaCreateManagedWidget( "optionMenu1", xmRowColumnWidgetClass, (_at->attach_any)?INFO_FORM:INFO_WIDGET, XmNrowColumnType, XmMENU_OPTION, XmNsubMenuId, optionMenu, XmNfontList, p_global->fontlist, XmNx, (int)x_for_position_of_menu, XmNy, (int)(_at->y_for_next_button - 5), RES_CONVERT( XmNlabelString, "" ), NULL ); if (_at->attach_any){ aw_attach_widget(optionMenu1,_at); } } #if 0 // setting background color for radio button only does not work. // works only for label and button together, that's not what we want. // TuneBackground(optionMenu_shell, TUNE_BUTTON); // set background color for radio button XtVaSetValues(optionMenu1, // colorizes background and label XmNbackground, _at->background_color, NULL); #endif get_root()->number_of_option_menues++; AW_awar *vs = root->awar(var_name); { AW_option_menu_struct *next = new AW_option_menu_struct(get_root()->number_of_option_menues, var_name, vs->variable_type, optionMenu1, optionMenu, _at->x_for_next_button - 7, _at->y_for_next_button, _at->correct_for_at_center); if ( p_global->option_menu_list ) { p_global->last_option_menu->next = next; p_global->last_option_menu = p_global->last_option_menu->next; } else { p_global->last_option_menu = p_global->option_menu_list = next; } } p_global->current_option_menu = p_global->last_option_menu; AW_INSERT_BUTTON_IN_AWAR_LIST( vs,(AW_CL)p_global->current_option_menu, optionMenu, AW_WIDGET_CHOICE_MENU, this); root->make_sensitive(optionMenu1, _at->widget_mask); return p_global->current_option_menu; } static void remove_option_from_option_menu(AW_root *aw_root, AW_option_struct *os) { AW_remove_button_from_sens_list(aw_root, os->choice_widget); XtDestroyWidget(os->choice_widget); } void AW_window::clear_option_menu(AW_option_menu_struct *oms) { p_global->current_option_menu = oms; // define as current (for subsequent inserts) AW_option_struct *next_os; for (AW_option_struct *os = oms->first_choice; os; os = next_os) { next_os = os->next; os->next = 0; remove_option_from_option_menu(root, os); delete os; } if (oms->default_choice) { remove_option_from_option_menu(root, oms->default_choice); oms->default_choice = 0; } oms->first_choice = 0; oms->last_choice = 0; } void *AW_window::_create_option_entry(AW_VARIABLE_TYPE type, const char *name, const char *mnemonic,const char *name_of_color) { AWUSE(mnemonic); Widget entry; AW_option_menu_struct *oms = p_global->current_option_menu; if ( oms->variable_type != type ) { AW_ERROR("Option menu not defined for this type"); } TuneOrSetBackground(oms->menu_widget, name_of_color, TUNE_BUTTON); // set background color for radio button entries entry = XtVaCreateManagedWidget( "optionMenu_entry", xmPushButtonWidgetClass, oms->menu_widget, RES_LABEL_CONVERT(((char *)name)), XmNfontList, p_global->fontlist, XmNbackground, _at->background_color, NULL ); AW_label_in_awar_list(this,entry,name); return (void *)entry; } inline void option_menu_add_option(AW_option_menu_struct *oms, AW_option_struct *os, bool default_option) { if (default_option) { oms->default_choice = os; } else { if ( oms->first_choice ) { oms->last_choice->next = os; oms->last_choice = oms->last_choice->next; } else { oms->last_choice = oms->first_choice = os; } } } // for string : void AW_window::insert_option_internal(AW_label option_name, const char *mnemonic, const char *var_value, const char *name_of_color, bool default_option) { AW_option_menu_struct *oms = p_global->current_option_menu; if (oms->variable_type != AW_STRING){ option_type_mismatch("string"); } else { Widget entry = (Widget)_create_option_entry(AW_STRING, option_name, mnemonic, name_of_color); AW_cb_struct *cbs = _callback; // user-own callback // callback for new choice XtAddCallback(entry, XmNactivateCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) new AW_variable_update_struct(NULL, AW_WIDGET_CHOICE_MENU, root->awar(oms->variable_name), var_value, 0, 0, cbs)); option_menu_add_option(p_global->current_option_menu, new AW_option_struct(var_value, entry), default_option); root->make_sensitive(entry, _at->widget_mask); this->unset_at_commands(); } } void AW_window::insert_option_internal(AW_label option_name, const char *mnemonic, int var_value, const char *name_of_color, bool default_option) { AW_option_menu_struct *oms = p_global->current_option_menu; if (oms->variable_type != AW_INT){ option_type_mismatch("int"); } else { Widget entry = (Widget)_create_option_entry(AW_INT, option_name, mnemonic, name_of_color); AW_cb_struct *cbs = _callback; // user-own callback // callback for new choice XtAddCallback(entry, XmNactivateCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) new AW_variable_update_struct(NULL, AW_WIDGET_CHOICE_MENU, root->awar(oms->variable_name), 0, var_value, 0, cbs)); option_menu_add_option(p_global->current_option_menu, new AW_option_struct(var_value, entry), default_option); root->make_sensitive(entry, _at->widget_mask); this->unset_at_commands(); } } void AW_window::insert_option_internal(AW_label option_name, const char *mnemonic, float var_value, const char *name_of_color, bool default_option) { AW_option_menu_struct *oms = p_global->current_option_menu; if (oms->variable_type != AW_FLOAT){ option_type_mismatch("float"); } else { Widget entry = (Widget)_create_option_entry(AW_FLOAT, option_name, mnemonic, name_of_color); AW_cb_struct *cbs = _callback; // user-own callback // callback for new choice XtAddCallback(entry, XmNactivateCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) new AW_variable_update_struct(NULL, AW_WIDGET_CHOICE_MENU, root->awar(oms->variable_name), 0, 0, var_value, cbs)); option_menu_add_option(p_global->current_option_menu, new AW_option_struct(var_value, entry), default_option); root->make_sensitive(entry, _at->widget_mask); this->unset_at_commands(); } } void AW_window::insert_option (AW_label on, const char *mn, const char *vv, const char *noc ) { insert_option_internal(on, mn, vv, noc, false); } void AW_window::insert_default_option(AW_label on, const char *mn, const char *vv, const char *noc ) { insert_option_internal(on, mn, vv, noc, true); } void AW_window::insert_option (AW_label on, const char *mn, int vv, const char *noc ) { insert_option_internal(on, mn, vv, noc, false); } void AW_window::insert_default_option(AW_label on, const char *mn, int vv, const char *noc ) { insert_option_internal(on, mn, vv, noc, true); } void AW_window::insert_option (AW_label on, const char *mn, float vv, const char *noc ) { insert_option_internal(on, mn, vv, noc, false); } void AW_window::insert_default_option(AW_label on, const char *mn, float vv, const char *noc ) { insert_option_internal(on, mn, vv, noc, true); } // (see insert_option_internal for longer parameter names) void AW_window::update_option_menu( void ) { this->update_option_menu( p_global->current_option_menu ); } void AW_window::update_option_menu(AW_option_menu_struct *oms) { if ( get_root()->changer_of_variable != (long)oms->label_widget ) { AW_option_struct *active_choice = oms->first_choice; { char *global_var_value = NULL; long global_var_int_value = 0; float global_var_float_value = 0; char *var_name = oms->variable_name; #if defined(DEVEL_RALF) #warning missing implementation for AW_POINTER #endif // DEVEL_RALF switch ( oms->variable_type ) { case AW_STRING: global_var_value = root->awar( var_name )->read_string(); break; case AW_INT: global_var_int_value = root->awar( var_name )->read_int(); break; case AW_FLOAT: global_var_float_value = root->awar( var_name )->read_float(); break; default: break; } bool found_choice = false; while (active_choice) { switch ( oms->variable_type ) { case AW_STRING: found_choice = ((strcmp( global_var_value, active_choice->variable_value ) == 0) ); break; case AW_INT: found_choice = (global_var_int_value == active_choice->variable_int_value ); break; case AW_FLOAT: found_choice = (global_var_float_value == active_choice->variable_float_value ); break; default: gb_assert(0); GB_warning("Unknown AWAR type"); break; } if (found_choice) break; active_choice = active_choice->next; } free(global_var_value); } if (!active_choice) active_choice = oms->default_choice; if (active_choice) XtVaSetValues( oms->label_widget, XmNmenuHistory, active_choice->choice_widget, NULL); { short length; short height; XtVaGetValues( oms->label_widget ,XmNwidth ,&length ,XmNheight, &height, NULL ); int width_of_last_widget = length; int height_of_last_widget = height; if ( oms->correct_for_at_center_intern ) { if ( oms->correct_for_at_center_intern == 1 ) { // middle centered XtVaSetValues( oms->label_widget, XmNx,(short)((short)_at->saved_x - (short)(length/2)), NULL ); width_of_last_widget = width_of_last_widget / 2; } if ( oms->correct_for_at_center_intern == 2 ) { // right centered XtVaSetValues( oms->label_widget, XmNx,(short)((short)_at->saved_x - length) + 7, NULL ); width_of_last_widget = 0; } } width_of_last_widget -= 4; this->unset_at_commands(); this->increment_at_commands( width_of_last_widget, height_of_last_widget ); } } } /*********************************************************************************************************************************/ /*********************************************************************************************************************************/ /*********************************************************************************************************************************/ void AW_window::create_toggle_field( const char *var_name, AW_label labeli, const char *mnemonic ) { AWUSE(mnemonic); if (labeli) this->label(labeli); this->create_toggle_field(var_name); } void AW_window::create_toggle_field( const char *var_name, int orientation ) { /* orientation = 0 -> vertical else horizontal layout */ Widget label_for_toggle; Widget toggle_field; int x_correcting_for_label = 0; int width_of_label = 0; int x_for_position_of_option = 0; const char *tmp_label =""; if ( _at->label_for_inputfield ) { tmp_label = _at->label_for_inputfield; } check_at_pos(); if ( _at->correct_for_at_center ) { // _at->correct_for_at_center_intern = _at->correct_for_at_center; _at->saved_x = _at->x_for_next_button; x_for_position_of_option = 10; }else { x_for_position_of_option = _at->x_for_next_button; } if ( tmp_label ) { int height_of_label; calculate_label_size(this, &width_of_label, &height_of_label, true, tmp_label); // @@@ FIXME: use height_of_label for Y-alignment // width_of_label = this->calculate_string_width( this->calculate_label_length() ); label_for_toggle = XtVaCreateManagedWidget( "label", xmLabelWidgetClass, INFO_WIDGET, XmNx, (int)_at->x_for_next_button, XmNy, (int)(_at->y_for_next_button) + this->get_root()->y_correction_for_input_labels, XmNwidth, (int)(width_of_label + 2), RES_CONVERT( XmNlabelString, tmp_label ), XmNrecomputeSize, false, XmNalignment, XmALIGNMENT_BEGINNING, XmNfontList, p_global->fontlist, NULL ); _at->saved_x_correction_for_label = x_correcting_for_label = width_of_label + 10; p_w->toggle_label = label_for_toggle; } else { p_w->toggle_label = NULL; _at->saved_x_correction_for_label = 0; } if (orientation) { toggle_field = XtVaCreateManagedWidget( "rowColumn for toggle field", xmRowColumnWidgetClass, (_at->attach_any)?INFO_FORM:INFO_WIDGET, XmNorientation,XmHORIZONTAL, XmNx, (int)(x_for_position_of_option + x_correcting_for_label), XmNy, (int)(_at->y_for_next_button - 2), XmNradioBehavior, True, XmNradioAlwaysOne, True, XmNfontList, p_global->fontlist, NULL ); }else{ toggle_field = XtVaCreateManagedWidget( "rowColumn for toggle field", xmRowColumnWidgetClass, (_at->attach_any)?INFO_FORM:INFO_WIDGET, XmNx, (int)(x_for_position_of_option + x_correcting_for_label), XmNy, (int)(_at->y_for_next_button - 2), XmNradioBehavior, True, XmNradioAlwaysOne, True, XmNfontList, p_global->fontlist, NULL ); } if (_at->attach_any){ aw_attach_widget(toggle_field,_at,300); } AW_awar *vs = root->awar(var_name); p_w->toggle_field = toggle_field; free((p_w->toggle_field_var_name)); p_w->toggle_field_var_name = strdup(var_name ); p_w->toggle_field_var_type = vs->variable_type; get_root()->number_of_toggle_fields++; if ( p_global->toggle_field_list ) { p_global->last_toggle_field->next = new AW_toggle_field_struct( get_root()->number_of_toggle_fields, var_name, vs->variable_type, toggle_field, _at->correct_for_at_center); p_global->last_toggle_field = p_global->last_toggle_field->next; }else { p_global->last_toggle_field = p_global->toggle_field_list = new AW_toggle_field_struct( get_root()->number_of_toggle_fields, var_name, vs->variable_type, toggle_field, _at->correct_for_at_center); } AW_INSERT_BUTTON_IN_AWAR_LIST( vs,get_root()->number_of_toggle_fields, toggle_field, AW_WIDGET_TOGGLE_FIELD, this); root->make_sensitive(toggle_field, _at->widget_mask); } static Widget _aw_create_toggle_entry(AW_window *aww, Widget toggle_field, const char *label,const char *mnemonic, AW_variable_update_struct *awus, AW_toggle_struct *awts, bool default_toggle) { AW_root *root = aww->get_root(); Widget toggleButton; toggleButton = XtVaCreateManagedWidget( "toggleButton", xmToggleButtonWidgetClass, toggle_field, RES_LABEL_CONVERT2(label,aww), RES_CONVERT( XmNmnemonic, mnemonic ), XmNindicatorSize, 16, XmNfontList, p_global->fontlist, NULL ); awts->toggle_widget = toggleButton; awus->widget = toggleButton; XtAddCallback( toggleButton, XmNvalueChangedCallback, (XtCallbackProc) AW_variable_update_callback, (XtPointer) awus ); if (default_toggle) { delete p_global->last_toggle_field->default_toggle; p_global->last_toggle_field->default_toggle = awts; }else { if ( p_global->last_toggle_field->first_toggle ) { p_global->last_toggle_field->last_toggle->next = awts; p_global->last_toggle_field->last_toggle = awts; }else { p_global->last_toggle_field->last_toggle = awts; p_global->last_toggle_field->first_toggle = awts; } } root->make_sensitive(toggleButton, aww->_at->widget_mask); aww->unset_at_commands(); return toggleButton; } void AW_window::insert_toggle_internal(AW_label toggle_label, const char *mnemonic, const char *var_value, bool default_toggle) { if ( p_w->toggle_field_var_type != AW_STRING ) { toggle_type_mismatch("string"); } else { _aw_create_toggle_entry(this,p_w->toggle_field,toggle_label,mnemonic, new AW_variable_update_struct( NULL, AW_WIDGET_TOGGLE_FIELD, root->awar(p_w->toggle_field_var_name), var_value, 0, 0, _callback ), new AW_toggle_struct( var_value, 0 ), default_toggle ? true : false); } } void AW_window::insert_toggle_internal( AW_label toggle_label, const char *mnemonic, int var_value, bool default_toggle) { if ( p_w->toggle_field_var_type != AW_INT ) { toggle_type_mismatch("int"); } else { _aw_create_toggle_entry(this, p_w->toggle_field, toggle_label,mnemonic, new AW_variable_update_struct( NULL, AW_WIDGET_TOGGLE_FIELD, root->awar(p_w->toggle_field_var_name), 0, var_value, 0, _callback ), new AW_toggle_struct( var_value, 0 ), default_toggle ? true : false); } } void AW_window::insert_toggle_internal( AW_label toggle_label, const char *mnemonic, float var_value, bool default_toggle) { if ( p_w->toggle_field_var_type != AW_FLOAT ) { toggle_type_mismatch("float"); } else { _aw_create_toggle_entry(this, p_w->toggle_field,toggle_label, mnemonic, new AW_variable_update_struct( NULL, AW_WIDGET_TOGGLE_FIELD, root->awar(p_w->toggle_field_var_name), 0, 0, var_value, _callback ), new AW_toggle_struct( var_value, 0 ), default_toggle ? true : false); } } void AW_window::insert_toggle ( AW_label toggle_label, const char *mnemonic, const char *var_value ) { insert_toggle_internal(toggle_label, mnemonic, var_value, false); } void AW_window::insert_default_toggle( AW_label toggle_label, const char *mnemonic, const char *var_value ) { insert_toggle_internal(toggle_label, mnemonic, var_value, true); } void AW_window::insert_toggle ( AW_label toggle_label, const char *mnemonic, int var_value ) { insert_toggle_internal(toggle_label, mnemonic, var_value, false); } void AW_window::insert_default_toggle( AW_label toggle_label, const char *mnemonic, int var_value ) { insert_toggle_internal(toggle_label, mnemonic, var_value, true); } void AW_window::insert_toggle ( AW_label toggle_label, const char *mnemonic, float var_value ) { insert_toggle_internal(toggle_label, mnemonic, var_value, false); } void AW_window::insert_default_toggle( AW_label toggle_label, const char *mnemonic, float var_value ) { insert_toggle_internal(toggle_label, mnemonic, var_value, true); } void AW_window::update_toggle_field( void ) { this->update_toggle_field( get_root()->number_of_toggle_fields ); } void AW_window::update_toggle_field( int toggle_field_number ) { #if defined(DEBUG) static int inside_here = 0; aw_assert(!inside_here); inside_here++; #endif // DEBUG AW_toggle_field_struct *toggle_field_list = p_global->toggle_field_list; { while (toggle_field_list) { if (toggle_field_number == toggle_field_list->toggle_field_number) { break; } toggle_field_list = toggle_field_list->next; } } if (toggle_field_list) { AW_toggle_struct *active_toggle = toggle_field_list->first_toggle; { char *global_var_value = NULL; long global_var_int_value = 0; float global_var_float_value = 0; #if defined(DEVEL_RALF) #warning missing implementation for AW_POINTER #endif // DEVEL_RALF switch ( toggle_field_list->variable_type ) { case AW_STRING: global_var_value = root->awar( toggle_field_list->variable_name )->read_string(); break; case AW_INT: global_var_int_value = root->awar( toggle_field_list->variable_name )->read_int(); break; case AW_FLOAT: global_var_float_value = root->awar( toggle_field_list->variable_name )->read_float(); break; default: gb_assert(0); GB_warning("Unknown AWAR type"); break; } bool found_toggle = false; while (active_toggle) { switch (toggle_field_list->variable_type) { case AW_STRING: found_toggle = (strcmp( global_var_value, active_toggle->variable_value ) == 0); break; case AW_INT: found_toggle = (global_var_int_value == active_toggle->variable_int_value); break; case AW_FLOAT: found_toggle = (global_var_float_value == active_toggle->variable_float_value); break; default: gb_assert(0); GB_warning("Unknown AWAR type"); break; } if (found_toggle) break; active_toggle = active_toggle->next; } if (!found_toggle) active_toggle = toggle_field_list->default_toggle; free(global_var_value); } // iterate over all toggles including default_toggle and set their state for (AW_toggle_struct *toggle = toggle_field_list->first_toggle; toggle; ) { XmToggleButtonSetState(toggle->toggle_widget, toggle == active_toggle, False); if (toggle->next) toggle = toggle->next; else if (toggle != toggle_field_list->default_toggle) toggle = toggle_field_list->default_toggle; else toggle = 0; } { short length; short height; XtVaGetValues( p_w->toggle_field ,XmNwidth ,&length ,XmNheight, &height, NULL ); length += (short)_at->saved_x_correction_for_label; int width_of_last_widget = length; int height_of_last_widget = height; if ( toggle_field_list->correct_for_at_center_intern ) { if ( toggle_field_list->correct_for_at_center_intern == 1 ) { // middle centered XtVaSetValues( p_w->toggle_field, XmNx,(short)((short)_at->saved_x - (short)(length/2) + (short)_at->saved_x_correction_for_label ), NULL ); if ( p_w->toggle_label ) { XtVaSetValues( p_w->toggle_label, XmNx,(short)((short)_at->saved_x - (short)(length/2) ), NULL ); } width_of_last_widget = width_of_last_widget / 2; } if ( toggle_field_list->correct_for_at_center_intern == 2 ) { // right centered XtVaSetValues( p_w->toggle_field, XmNx,(short)((short)_at->saved_x - length + (short)_at->saved_x_correction_for_label ), NULL ); if ( p_w->toggle_label ) { XtVaSetValues( p_w->toggle_label, XmNx,(short)( (short)_at->saved_x - length ) , NULL ); } width_of_last_widget = 0; } } this->unset_at_commands(); this->increment_at_commands( width_of_last_widget, height_of_last_widget ); } } else { AW_ERROR("update_toggle_field: toggle field %i does not exist", toggle_field_number ); } #if defined(DEBUG) inside_here--; #endif // DEBUG } ./arbsrc_9167/WINDOW/AW_click.cxx0000644012664100000130000002204211440743000016337 0ustar arb_buildcoders#include #include #include #include // #include #include #include #include #include "aw_device.hxx" #include "aw_commn.hxx" #include using namespace AW; // ***************************************************************************************** // device_click // ***************************************************************************************** AW_device_click::AW_device_click(AW_common *commoni):AW_device(commoni) { } void AW_device_click::init(AW_pos mousex,AW_pos mousey, AW_pos max_distance_linei, AW_pos max_distance_texti, AW_pos radi, AW_bitset filteri) { AWUSE(radi); mouse_x = mousex; mouse_y = mousey; filter = filteri; max_distance_line = max_distance_linei*max_distance_linei; max_distance_text = max_distance_texti; memset((char *)&opt_line,0,sizeof(opt_line)); memset((char *)&opt_text,0,sizeof(opt_text)); opt_line.exists = false; opt_text.exists = false; } AW_DEVICE_TYPE AW_device_click::type(void) { return AW_DEVICE_CLICK; } /***********************************************************************************************************************/ /* line text zoomtext box *******************************************************************************************/ /***********************************************************************************************************************/ int AW_device_click::line(int gc, AW_pos x0, AW_pos y0, AW_pos x1, AW_pos y1, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2) { AW_pos X0,Y0,X1,Y1; // Transformed pos AW_pos CX0,CY0,CX1,CY1; // Clipped line int drawflag; // is line visible on screen AW_pos lx, ly; AW_pos dx, dy; AW_pos h1, h2; AW_pos distance, skalar = 0; bool best_line = false; // is this line the best ? AWUSE(gc); if(!(filteri & filter)) return false; this->transform(x0,y0,X0,Y0); this->transform(x1,y1,X1,Y1); drawflag = this->clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { //stimmen die Kreise um die Punkte ? // distance to the second point of the line dx = mouse_x - X1; dy = mouse_y - Y1; distance = (dx*dx) + (dy*dy); if (distance < max_distance_line) { best_line = true; max_distance_line = distance; //add more comments skalar = 0.0; } // distance to the first point of the line dx = mouse_x - X0; dy = mouse_y - Y0; distance = (dx*dx) + (dy*dy); if (distance < max_distance_line) { best_line = true; max_distance_line = distance; //add more comments skalar = 1.0; } lx = X1 - X0; ly = Y1 - Y0; h2 = (lx*lx) + (ly*ly); // Punkt darf nicht in der Verlaengerung der Linie liegen if (h2 > 0.0000000001){ skalar = (dx*lx+dy*ly)/h2; if ( 0.0 <= skalar && skalar <= 1.0 ) { // berechne Trefferpunkt auf Linie // distance to the line h1 = dx*ly - dy*lx; distance = (h1*h1) / h2; if (distance < max_distance_line) { best_line = true; max_distance_line = distance; //add more comments } } } if (best_line == true) { aw_assert(x0 == x0); aw_assert(x1 == x1); // not NAN aw_assert(y0 == y0); aw_assert(y1 == y1); opt_line.x0 = x0; opt_line.y0 = y0; opt_line.x1 = x1; opt_line.y1 = y1; opt_line.height = distance; opt_line.length = skalar; opt_line.client_data1 = clientdata1; opt_line.client_data2 = clientdata2; opt_line.exists = true; } return true; } return false; } int AW_device_click::text(int gc, const char *str, AW_pos x, AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2,long opt_strlen) { if(filteri & filter) { AW_pos X0,Y0; // Transformed pos this->transform(x,y,X0,Y0); XFontStruct *xfs = &common->gcs[gc]->curfont; AW_pos Y1 = Y0+(AW_pos)(xfs->max_bounds.descent); Y0 = Y0-(AW_pos)(xfs->max_bounds.ascent); /***************** Fast check text against top bottom clip ***************************/ if (this->clip_rect.t == 0) { if (Y1 < this->clip_rect.t) return 0; } else { if (Y0 < this->clip_rect.t) return 0; } if (this->clip_rect.b == common->screen.b) { if (Y0 > this->clip_rect.b) return 0; } else { if (Y1 > this->clip_rect.b) return 0; } /***************** vertical check mouse against textsurrounding ***************************/ bool exact = true; double best_dist = 0; if (mouse_y > Y1) { // outside text if (mouse_y > Y1+max_distance_text) return 0; // too far above exact = false; best_dist = mouse_y - Y1; } else if (mouse_y < Y0) { if (mouse_y < Y0-max_distance_text) return 0; // too far below exact = false; best_dist = Y0 - mouse_y; } /***************** align text ***************************/ int len = opt_strlen ? opt_strlen : strlen(str); int text_width = (int)get_string_size(gc,str,len); X0 = common->x_alignment(X0,text_width,alignment); AW_pos X1 = X0+text_width; /**************** check against left right clipping areas *********/ if (X1 < this->clip_rect.l) return 0; if (X0 > this->clip_rect.r) return 0; if (mouse_x < X0) return 0; // left of text if (mouse_x > X1) return 0; // right of text max_distance_text = best_dist; // exact hit -> distance = 0; int position; if (xfs->max_bounds.width == xfs->min_bounds.width) { // monospaced font short letter_width = xfs->max_bounds.width; position = (int)((mouse_x-X0)/letter_width); if (position<0) position = 0; if (position>(len-1)) position = len-1; } else { // non-monospaced font AW_GC_Xm *gcm = AW_MAP_GC(gc); position = 0; int tmp_offset = 0; while (position<=len) { tmp_offset += gcm->width_of_chars[(unsigned char)str[position]]; if (mouse_x <= X0+tmp_offset) break; position++; } } AW_pos dist2center = Distance(Position(mouse_x, mouse_y), LineVector(X0, Y0, X0+text_width, Y1).centroid()); if (!opt_text.exists || // first candidate (!opt_text.exactHit && exact) || // previous candidate was no exact hit (dist2centerexists) { if (ct->exists) { if (cl->distanceTo(click) < ct->distance) { bestClick = cl; } else { bestClick = ct; } } else { bestClick = cl; } } else if (ct->exists) { bestClick = ct; } if (bestClick) { *cd1 = bestClick->client_data1; *cd2 = bestClick->client_data2; } else { *cd1 = 0; *cd2 = 0; } return bestClick; } ./arbsrc_9167/WINDOW/aw_click.hxx0000644012664100000130000000345511440743000016453 0ustar arb_buildcoders#ifndef AW_CLICK_HXX #define AW_CLICK_HXX class AW_device_click: public AW_device { protected: AW_pos mouse_x,mouse_y; AW_pos max_distance_line; AW_pos max_distance_text; public: AW_clicked_line opt_line; AW_clicked_text opt_text; AW_device_click(AW_common *commoni); AW_DEVICE_TYPE type(void); void init(AW_pos mousex, AW_pos mousey, AW_pos max_distance_liniei, AW_pos max_distance_texti, AW_pos radi, AW_bitset filteri); int line(int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2); int text(int gc, const char *string,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2, long opt_strlen); void get_clicked_line(class AW_clicked_line *ptr); void get_clicked_text(class AW_clicked_text *ptr); int box(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_box(gc, filled, x0, y0, width, heigth, filteri, cd1, cd2); } int filled_area(int gc, int npoints, AW_pos *points, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_filled_area(gc, npoints, points, filteri, cd1, cd2); } int circle(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_circle(gc, filled, x0, y0, width, heigth, filteri, cd1, cd2); } int arc(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, int start_degrees, int arc_degrees, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_arc(gc, filled, x0, y0, width, heigth, start_degrees, arc_degrees, filteri, cd1, cd2); } }; #else #error aw_click.hxx included twice #endif ./arbsrc_9167/WINDOW/aw_color_groups.hxx0000644012664100000130000000453711440743000020105 0ustar arb_buildcoders// =============================================================== // // // // File : aw_color_groups.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in June 2001 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef AW_COLOR_GROUPS_HXX #define AW_COLOR_GROUPS_HXX #ifndef AW_ROOT_HXX #include #endif // color groups define special colors used to colorize // groups of genes or species (or any other items) // // to activate color_group-colors you need the following: // // - call AW_init_color_group_defaults with current program name // // - call AW_manage_GC with define_color_groups set to true; // This defines extra GC's for color_groups (named color_group_xxx) // If such GCs are defined the normal properties window (AW_create_gc_window) // automatically gets a sub-window called 'Edit color-groups' // // - add a label in your GC enum (at the end before BLA_GC_MAX) // like this: // // BLA_GC_FIRST_COLOR_GROUP, // BLA_GC_MAX = BLA_GC_FIRST_COLOR_GROUP + AW_COLOR_GROUPS // // - use AW_set_color_group to set and AW_find_color_group to read the // color of a species/gene/experiment/organism/etc. #define AWAR_COLOR_GROUPS_PREFIX "color_groups" #define AWAR_COLOR_GROUPS_USE AWAR_COLOR_GROUPS_PREFIX "/use" // int : whether to use the colors in display or not #define AW_COLOR_GROUP_PREFIX "color_group_" #define AW_COLOR_GROUP_PREFIX_LEN 12 #define AW_COLOR_GROUP_NAME_LEN (AW_COLOR_GROUP_PREFIX_LEN+2) #define AW_COLOR_GROUP_ENTRY "ARB_color" #define AW_COLOR_GROUPS 12 GB_ERROR AW_set_color_group(GBDATA *gbd, long color_group); long AW_find_color_group(GBDATA *gbd, bool ignore_usage_flag = false); char *AW_get_color_group_name(AW_root *awr, int color_group); void AW_init_color_group_defaults(const char *for_program); #else #error aw_color_groups.hxx included twice #endif // AW_COLOR_GROUPS_HXX ./arbsrc_9167/WINDOW/aw_commn.hxx0000644012664100000130000000432211440743000016471 0ustar arb_buildcoders#ifndef AW_COMMN_HXX #define AW_COMMN_HXX #define AW_INT(x) ( ((x)>=0) ? (int) ((x)+.5):(int )((x)-.5) ) class AW_GC_Xm { public: GC gc; class AW_common *common; XFontStruct curfont; short width_of_chars[256]; short ascent_of_chars[256]; short descent_of_chars[256]; AW_font_information fontinfo; short line_width; AW_linestyle style; short color; unsigned long last_fg_color; unsigned long last_bg_color; short fontsize; AW_font fontnr; AW_function function; AW_pos grey_level; AW_GC_Xm(class AW_common *common); ~AW_GC_Xm(); void set_fill(AW_grey_level grey_level); // <0 dont fill 0.0 white 1.0 black void set_font(AW_font font_nr, int size, int *found_size); void set_lineattributes(AW_pos width, AW_linestyle style); void set_function(AW_function function); void set_foreground_color(unsigned long color); void set_background_color(unsigned long color); int get_available_fontsizes(AW_font font_nr, int *available_sizes); }; class AW_common { public: AW_common(AW_window *aww, AW_area area, Display *display_in, XID window_id_in,unsigned long *fcolors, unsigned int **dcolors, long *data_colors_size); unsigned long *frame_colors; unsigned long **data_colors; long *data_colors_size; AW_root *root; AW_rectangle screen; int screen_x_offset; int screen_y_offset; AW_GC_Xm **gcs; int ngcs; Display *display; XID window_id; AW_pos x_alignment(AW_pos x_pos,AW_pos x_size,AW_pos alignment) { return x_pos- x_size*alignment; }; }; // #define AW_MAP_GC(gc) (aw_assert(gcngcs), common->gcs[gc]) inline bool AW_GC_MAPABLE(AW_common *common, int gc) { return gcngcs && common->gcs[gc] != 0; } inline AW_GC_Xm *AW_MAP_GC_tested(AW_common *common, int gc) { aw_assert(AW_GC_MAPABLE(common, gc)); return common->gcs[gc]; } #define AW_MAP_GC(gc) AW_MAP_GC_tested(common, gc) #else #error aw_commn.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_debug.cxx0000644012664100000130000003167211440743000016351 0ustar arb_buildcoders// =========================================================== // // // // File : AW_debug.cxx // // Purpose : // // // // Coded by Ralf Westram (coder@reallysoft.de) in May 2009 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #include #include "aw_root.hxx" #include "aw_window.hxx" #include "aw_Xm.hxx" #include "aw_window_Xm.hxx" #include #include #include #include #include // do includes above (otherwise depends depend on DEBUG) #if defined(DEBUG) // -------------------------------------------------------------------------------- using namespace std; typedef vector CallbackArray; typedef CallbackArray::const_iterator CallbackIter; static GB_HASH *dontCallHash = 0; static GB_HASH *alreadyCalledHash = 0; static void forgetCalledCallbacks() { if (alreadyCalledHash) GBS_free_hash(alreadyCalledHash); alreadyCalledHash = GBS_create_hash(5000, GB_MIND_CASE); } static long auto_dontcall1(const char *key, long value, void *cl_hash) { if (strncmp(key, "ARB_NT/", 7) == 0) { GB_HASH *autodontCallHash = (GB_HASH*)cl_hash; GBS_write_hash(autodontCallHash, GBS_global_string("ARB_NT_1/%s", key+7), value); } return value; } static long auto_dontcall2(const char *key, long value, void *) { GBS_write_hash(dontCallHash, key, value); return value; } static void build_dontCallHash() { aw_assert(!dontCallHash); dontCallHash = GBS_create_hash(30, GB_MIND_CASE); forgetCalledCallbacks(); GBS_write_hash(dontCallHash, "ARB_NT/QUIT", 1); GBS_write_hash(dontCallHash, "quit", 1); GBS_write_hash(dontCallHash, "ARB_EDIT4/QUIT", 1); GBS_write_hash(dontCallHash, "ARB_INTRO/CANCEL", 1); // avoid start of some external programs: #if 1 GBS_write_hash(dontCallHash, "ARB_NT/EDIT_SEQUENCES", 2); GBS_write_hash(dontCallHash, "CPR_MAIN/HELP", 2); GBS_write_hash(dontCallHash, "GDE__user__Start_a_slave_ARB_on_a_foreign_host_/GO", 2); GBS_write_hash(dontCallHash, "HELP/BROWSE", 2); GBS_write_hash(dontCallHash, "HELP/EDIT", 2); GBS_write_hash(dontCallHash, "MACROS/EDIT", 2); GBS_write_hash(dontCallHash, "MACROS/EXECUTE", 2); GBS_write_hash(dontCallHash, "NAME_SERVER_ADMIN/EDIT_NAMES_FILE", 2); GBS_write_hash(dontCallHash, "arb_dist", 2); GBS_write_hash(dontCallHash, "arb_edit", 2); GBS_write_hash(dontCallHash, "arb_pars", 2); GBS_write_hash(dontCallHash, "arb_pars_quick", 2); GBS_write_hash(dontCallHash, "arb_phyl", 2); GBS_write_hash(dontCallHash, "count_different_chars", 2); GBS_write_hash(dontCallHash, "export_to_ARB", 2); GBS_write_hash(dontCallHash, "new2_arb_edit4", 2); GBS_write_hash(dontCallHash, "new_arb_edit4", 2); GBS_write_hash(dontCallHash, "primer_design", 2); GBS_write_hash(dontCallHash, "xterm", 2); GBS_write_hash(dontCallHash, "SUBMIT_REG/SEND", 2); GBS_write_hash(dontCallHash, "SUBMIT_BUG/SEND", 2); GBS_write_hash(dontCallHash, "NAME_SERVER_ADMIN/REMOVE_SUPERFLUOUS_ENTRIES_IN_NAMES_FILE", 2); GBS_write_hash(dontCallHash, "PRINT_CANVAS/PRINT", 2); GBS_write_hash(dontCallHash, "PT_SERVER_ADMIN/CREATE_TEMPLATE", 2); GBS_write_hash(dontCallHash, "SELECT_CONFIFURATION/START", 2); #endif // avoid saving GBS_write_hash(dontCallHash, "save_changes", 3); GBS_write_hash(dontCallHash, "save_props", 3); #if 1 #warning crashing - fix later GBS_write_hash(dontCallHash, "ARB_NT/mark_duplicates", 4); GBS_write_hash(dontCallHash, "ARB_NT/view_probe_group_result", 4); GBS_write_hash(dontCallHash, "PT_SERVER_ADMIN/CHECK_SERVER", 4); #endif #if 1 #warning test callbacks asking questions again later GBS_write_hash(dontCallHash, "ARB_NT/mark_deep_branches", 5); GBS_write_hash(dontCallHash, "ARB_NT/mark_degen_branches", 5); GBS_write_hash(dontCallHash, "ARB_NT/mark_long_branches", 5); GBS_write_hash(dontCallHash, "ARB_NT/tree_scale_lengths", 5); GBS_write_hash(dontCallHash, "CREATE_USER_MASK/CREATE", 5); GBS_write_hash(dontCallHash, "GDE__import__Import_sequences_using_Readseq_slow_/GO", 5); GBS_write_hash(dontCallHash, "INFO_OF_ALIGNMENT/DELETE", 5); GBS_write_hash(dontCallHash, "LOAD_SELECTION_BOX/LOAD", 5); GBS_write_hash(dontCallHash, "MULTI_PROBE/CREATE_NEW_SEQUENCE", 5); GBS_write_hash(dontCallHash, "NDS_PROPS/SAVELOAD_CONFIG", 5); GBS_write_hash(dontCallHash, "PRIMER_DESIGN/SAVELOAD_CONFIG", 5); GBS_write_hash(dontCallHash, "PROBE_DESIGN/SAVELOAD_CONFIG", 5); GBS_write_hash(dontCallHash, "PT_SERVER_ADMIN/KILL_ALL_SERVERS", 5); GBS_write_hash(dontCallHash, "PT_SERVER_ADMIN/KILL_SERVER", 5); GBS_write_hash(dontCallHash, "PT_SERVER_ADMIN/UPDATE_SERVER", 5); GBS_write_hash(dontCallHash, "SPECIES_QUERY/DELETE_LISTED", 5); GBS_write_hash(dontCallHash, "SPECIES_QUERY/SAVELOAD_CONFIG", 5); GBS_write_hash(dontCallHash, "SPECIES_SELECTIONS/RENAME", 5); GBS_write_hash(dontCallHash, "SPECIES_SELECTIONS/STORE", 5); GBS_write_hash(dontCallHash, "del_marked", 5); GBS_write_hash(dontCallHash, "REALIGN_DNA/REALIGN", 5); GBS_write_hash(dontCallHash, "TREE_PROPS/SAVELOAD_CONFIG", 5); GBS_write_hash(dontCallHash, "WWW_PROPS/SAVELOAD_CONFIG", 5); #endif GB_HASH *autodontCallHash = GBS_create_hash(30, GB_MIND_CASE); GBS_hash_do_loop(dontCallHash, auto_dontcall1, autodontCallHash); GBS_hash_do_loop(autodontCallHash, auto_dontcall2, dontCallHash); GBS_free_hash(autodontCallHash); } static long collect_callbacks(const char *key, long value, void *cl_callbacks) { if (GBS_read_hash(alreadyCalledHash, key) == 0) { // don't call twice CallbackArray *callbacks = reinterpret_cast(cl_callbacks); callbacks->push_back(string(key)); } return value; } int sortedByCallbackLocation(const char *k0, long v0, const char *k1, long v1) { AW_cb_struct *cbs0 = reinterpret_cast(v0); AW_cb_struct *cbs1 = reinterpret_cast(v1); int cmp = (AW_CL)(cbs1->f) - (AW_CL)cbs0->f; // compare address of function if (!cmp) { cmp = cbs1->get_cd1() - cbs0->get_cd1(); if (!cmp) { cmp = cbs1->get_cd2() - cbs0->get_cd2(); if (!cmp) cmp = strcmp(k0, k1); } } return cmp; } size_t AW_root::callallcallbacks(int mode) { // mode == -2 -> mark all as called // mode == -1 -> forget called // mode == 0 -> call all in alpha-order // mode == 1 -> call all in reverse alpha-order // mode == 2 -> call all in code-order // mode == 3 -> call all in reverse code-order // mode == 10 -> call all in random order // mode == 11-> call all in random order (repeated until no uncalled callbacks left) size_t count = GBS_hash_count_elems(prvt->action_hash); size_t callCount = 0; aw_message(GBS_global_string("Found %zi callbacks", count)); if (!dontCallHash) build_dontCallHash(); if (mode == 11) { aw_message("Calling callbacks iterated"); for (int iter = 1; ; ++iter) { // forever size_t thisCount = callallcallbacks(10); // call all in random order aw_message(GBS_global_string("%zu callbacks were called (iteration %i)", thisCount, iter)); if (!thisCount) { aw_message("No uncalled callbacks left"); break; } callCount += thisCount; } } else if (mode == -1) { forgetCalledCallbacks(); } else { CallbackArray callbacks; switch (mode) { case 0: case 1: GBS_hash_do_sorted_loop(prvt->action_hash, collect_callbacks, GBS_HCF_sortedByKey, &callbacks); break; case 2: case 3: GBS_hash_do_sorted_loop(prvt->action_hash, collect_callbacks, sortedByCallbackLocation, &callbacks); break; default: GBS_hash_do_loop(prvt->action_hash, collect_callbacks, &callbacks); break; } switch (mode) { case -2: case 0: case 2: break; // use this order case 1: case 3: reverse(callbacks.begin(), callbacks.end()); break; // use reverse order case 10: random_shuffle(callbacks.begin(), callbacks.end()); break; // use random order default : gb_assert(0); break; // unknown mode } count = callbacks.size(); aw_message(GBS_global_string("%zu callbacks were not called yet", count)); CallbackIter end = callbacks.end(); for (int pass = 1; pass <= 2; ++pass) { size_t curr = 1; CallbackIter cb = callbacks.begin(); for (; cb != end; ++cb) { const char *remote_command = cb->c_str(); bool this_pass = remote_command[0] == '-' ? (pass == 2) : (pass == 1); if (this_pass) { GBS_write_hash(alreadyCalledHash, remote_command, 1); // don't call twice if (mode != -2) { // -2 means "only mark as called" AW_cb_struct *cbs = (AW_cb_struct *)GBS_read_hash(prvt->action_hash, remote_command); bool skipcb = remote_command[0] == '!' || GBS_read_hash(dontCallHash, remote_command); if (!skipcb) { if (cbs->f == (AW_CB)AW_help_entry_pressed) skipcb = true; } if (skipcb) { fprintf(stderr, "Skipped callback %zu/%zu (%s)\n", curr, count, remote_command); } else { fprintf(stderr, "Calling back %zu/%zu (%s)\n", curr, count, remote_command); GB_clear_error(); cbs->run_callback(); callCount++; process_pending_events(); if (GB_have_error()) { fprintf(stderr, "Unhandled error in '%s': %s\n", remote_command, GB_await_error()); } if (cbs->f == AW_POPUP) { AW_window *awp = cbs->pop_up_window; if (awp) { awp->force_expose(); process_pending_events(); fprintf(stderr, "Popping down window '%s'\n", awp->get_window_id()); awp->hide(); process_pending_events(); } } } } } else { if (pass == 1) { fprintf(stderr, "Delayed callback %zu/%zu (%s)", curr, count, remote_command); } } curr++; } if (pass == 1) fprintf(stderr, "Executing delayed callbacks:\n"); } } return callCount; } // -------------------------------------------------------------------------------- #endif // DEBUG ./arbsrc_9167/WINDOW/aw_def.hxx0000644012664100000130000000252511213220015016113 0ustar arb_buildcoders// ==================================================================== // // // // File : aw_def.hxx // // Purpose : WINDOW library global defines // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2005 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // // ---------------------------------------------------- // This file is located in WINDOW/aw_def.hxx // (AWT/aw_def.hxx is just a link) // ---------------------------------------------------- #ifndef AW_DEF_HXX #define AW_DEF_HXX #define NORMAL_FONT "fixed" #define BOLD_FONT "8x13bold" #define BUTTON_FONT "6x13" #define MIN_FONTSIZE 2 #define DEF_FONTSIZE 12 #define MAX_FONTSIZE 50 #else #error aw_def.hxx included twice #endif // AW_DEF_HXX ./arbsrc_9167/WINDOW/AW_device.cxx0000644012664100000130000007033611440743000016522 0ustar arb_buildcoders#include #include #include #include #include #include "aw_root.hxx" #include "aw_device.hxx" #include "aw_window.hxx" #include "aw_commn.hxx" #include void AW_clip::set_cliprect(AW_rectangle *rect, bool allow_oversize) { clip_rect = *rect; // coordintes : (0,0) = top-left-corner if (!allow_oversize){ if (clip_rect.t < common->screen.t) clip_rect.t = common->screen.t; if (clip_rect.b > common->screen.b) clip_rect.b = common->screen.b; if (clip_rect.l < common->screen.l) clip_rect.l = common->screen.l; if (clip_rect.r > common->screen.r) clip_rect.r = common->screen.r; } top_font_overlap = 0; bottom_font_overlap = 0; left_font_overlap = 0; right_font_overlap = 0; if (allow_oversize) { // added 21.6.02 --ralf if (clip_rect.t < common->screen.t) set_top_font_overlap(true); if (clip_rect.b > common->screen.b) set_bottom_font_overlap(true); if (clip_rect.l < common->screen.l) set_left_font_overlap(true); if (clip_rect.r > common->screen.r) set_right_font_overlap(true); } } int AW_clip::reduceClipBorders(int top, int bottom, int left, int right) { // return 0 if no clipping area left if (top > clip_rect.t) clip_rect.t = top; if (bottom < clip_rect.b) clip_rect.b = bottom; if (left > clip_rect.l) clip_rect.l = left; if (right < clip_rect.r) clip_rect.r = right; return !(clip_rect.b clip_rect.t) clip_rect.t = top; } void AW_clip::set_top_clip_border(int top, bool allow_oversize) { clip_rect.t = top; if (!allow_oversize){ if (clip_rect.t < common->screen.t) clip_rect.t = common->screen.t; } else { set_top_font_overlap(true); // added 21.6.02 --ralf } } void AW_clip::reduce_bottom_clip_border(int bottom) { if ( bottom < clip_rect.b) clip_rect.b = bottom; } void AW_clip::set_bottom_clip_border(int bottom, bool allow_oversize) { clip_rect.b = bottom; if (!allow_oversize){ if (clip_rect.b > common->screen.b) clip_rect.b = common->screen.b; } else { set_bottom_font_overlap(true); // added 21.6.02 --ralf } } void AW_clip::set_bottom_clip_margin(int bottom,bool allow_oversize) { clip_rect.b -= bottom; if (!allow_oversize){ if (clip_rect.b > common->screen.b) clip_rect.b = common->screen.b; } else { set_bottom_font_overlap(true); // added 21.6.02 --ralf } } void AW_clip::reduce_left_clip_border(int left) { if (left > clip_rect.l)clip_rect.l = left; } void AW_clip::set_left_clip_border(int left, bool allow_oversize) { clip_rect.l = left; if (!allow_oversize){ if (clip_rect.l < common->screen.l) clip_rect.l = common->screen.l; } else { set_left_font_overlap(true); // added 21.6.02 --ralf } } void AW_clip::reduce_right_clip_border(int right) { if (right < clip_rect.r) clip_rect.r = right; } void AW_clip::set_right_clip_border(int right, bool allow_oversize) { clip_rect.r = right; if (!allow_oversize){ if (clip_rect.r > common->screen.r) clip_rect.r = common->screen.r; } else { set_right_font_overlap(true); // added to correct problem with last char skipped (added 21.6.02 --ralf) } } void AW_clip::set_top_font_overlap(int val){ top_font_overlap = val; } void AW_clip::set_bottom_font_overlap(int val){ bottom_font_overlap = val; } void AW_clip::set_left_font_overlap(int val){ left_font_overlap = val; } void AW_clip::set_right_font_overlap(int val){ right_font_overlap = val; } AW_clip::AW_clip(){ memset((char *)this,0,sizeof(*this)); } /**********************************************************************/ inline AW_pos clip_in_range(AW_pos low, AW_pos val, AW_pos high) { if (val <= low) return low; if (val >= high) return high; return val; } int AW_clip::box_clip(AW_pos x0, AW_pos y0, AW_pos x1, AW_pos y1, AW_pos& x0out, AW_pos& y0out, AW_pos& x1out, AW_pos& y1out) // clip coordinates of a box { if (x1clip_rect.r) return 0; if (y1clip_rect.b) return 0; if (clip_rect.l>clip_rect.r) return 0; if (clip_rect.t>clip_rect.b) return 0; x0out = clip_in_range(clip_rect.l, x0, clip_rect.r); x1out = clip_in_range(clip_rect.l, x1, clip_rect.r); y0out = clip_in_range(clip_rect.t, y0, clip_rect.b); y1out = clip_in_range(clip_rect.t, y1, clip_rect.b); return 1; } /**********************************************************************/ int AW_clip::clip(AW_pos x0, AW_pos y0, AW_pos x1, AW_pos y1, AW_pos& x0out, AW_pos& y0out, AW_pos& x1out, AW_pos& y1out) // clip coordinates of a line { int outcodeout; AW_pos x = 0; AW_pos y = 0; bool is_visible = false; // indicates whether part of line is visible bool done = false; // true soon as line is completely inside or outside rectangle while (!done) { int outcode0 = compoutcode(x0,y0); int outcode1 = compoutcode(x1,y1); if ((outcode0 | outcode1) == 0) { // line is inside the rectangle x0out = x0; y0out = y0; // clipped coordinates of line x1out = x1; y1out = y1; done = true; is_visible = true; } else if ((outcode0 & outcode1) != 0) { // line is outside the rectangle done = true; } else { // line overlaps with at least one rectangle border outcodeout = outcode0>0 ? outcode0 : outcode1; if ((outcodeout & 8) != 0) { // overlap at top x = x0+(x1-x0)*(clip_rect.t-y0)/(y1-y0); y = clip_rect.t; } else if ((outcodeout & 4) != 0) { // overlap at bottom x = x0+(x1-x0)*(clip_rect.b-y0)/(y1-y0); y = clip_rect.b; } else if ((outcodeout & 2) != 0) { // overlap at right side y = y0+(y1-y0)*(clip_rect.r-x0)/(x1-x0); x = clip_rect.r; } else if ((outcodeout & 1) != 0) { y = y0+(y1-y0)*(clip_rect.l-x0)/(x1-x0); // overlap at left side x = clip_rect.l; } // set corrected point and iterate : if (outcode0 > 0) { x0 = x; y0 = y; } else { x1 = x; y1 = y; } } } return is_visible; } void AW_matrix::zoom(AW_pos val) { scale *= val; unscale = 1.0/scale; } void AW_matrix::reset(void) { unscale = scale = 1.0; offset = AW::Vector(0, 0); } /********************************************************************************************** GC_XM **********************************************************************************************/ AW_GC_Xm::AW_GC_Xm(AW_common *commoni) { common = commoni; line_width = 1; style = AW_SOLID; function = AW_COPY; color = 0; grey_level = 0; XGCValues val; val.line_width = 1; unsigned long value_mask = GCLineWidth; gc = XCreateGC(common->display,common->window_id,value_mask,&val); } AW_GC_Xm::~AW_GC_Xm(void) { if (gc) XFreeGC(common->display,gc); } void AW_GC_Xm::set_fill(AW_grey_level grey_leveli) { // <0 dont fill 0.0 white 1.0 black grey_level = grey_leveli; } void AW_GC_Xm::set_lineattributes(AW_pos width,AW_linestyle stylei) { int lwidth = AW_INT(width); if (stylei == style && line_width == lwidth) return; switch (style){ case AW_SOLID: XSetLineAttributes(common->display, gc, lwidth, LineSolid, CapButt, JoinBevel); break; case AW_DOTTED: XSetLineAttributes(common->display, gc, lwidth, LineOnOffDash, CapButt, JoinBevel); break; default: break; } line_width = lwidth; style = style; } void AW_GC_Xm::set_function(AW_function mode) { if (function != mode) { switch(mode) { case AW_XOR: XSetFunction(common->display,gc,GXxor); break; case AW_COPY: XSetFunction(common->display,gc,GXcopy); break; } function = mode; set_foreground_color(color); } } void AW_GC_Xm::set_foreground_color(unsigned long col) { color = (short)col; if (function == AW_XOR) { if (common->data_colors[0]) { col ^= common->data_colors[0][AW_DATA_BG]; }else{ col ^= common->frame_colors[AW_WINDOW_BG]; } } XSetForeground(common->display,gc, col ); last_fg_color = col; } void AW_GC_Xm::set_background_color(unsigned long colori) { XSetBackground(common->display,gc, colori ); last_bg_color = colori; } const AW_font_information *AW_gc::get_font_information(int gc, unsigned char c) { AW_GC_Xm *gcm = (common->gcs[gc]); AW_font_information *ptr = &common->gcs[gc]->fontinfo; ptr->this_letter.ascent = gcm->ascent_of_chars[c]; ptr->this_letter.descent = gcm->descent_of_chars[c]; ptr->this_letter.width = gcm->width_of_chars[c]; ptr->this_letter.calc_height(); return ptr; } /********************************************************************************************** GC **********************************************************************************************/ int AW_gc::get_string_size(int gc, const char *str, long textlen) { // get the size of the string XFontStruct *xfs = &common->gcs[gc]->curfont; short *size_per_char = common->gcs[gc]->width_of_chars; if (!textlen) { if (!str) return 0; textlen = strlen(str); } int c; long l_width; if (xfs->max_bounds.width == xfs->min_bounds.width || !str) { // monospaced font l_width = textlen * xfs->max_bounds.width; } else { // non-monospaced font l_width = 0; for (c = *(str++); c; c = *(str++)) { l_width += size_per_char[c]; } } return (int)l_width; } void AW_gc::new_gc(int gc) { if (gc>= common->ngcs) { common->gcs = (AW_GC_Xm **)realloc((char *)common->gcs,sizeof(void *)*(gc+10)); memset( &common->gcs[common->ngcs],0,sizeof(void *) * (gc-common->ngcs+10)); common->ngcs = gc+10; } if (common->gcs[gc])delete (common->gcs[gc]); common->gcs[gc] = new AW_GC_Xm(common); } void AW_gc::set_fill(int gc,AW_grey_level grey_level){ aw_assert(common->gcs[gc]); common->gcs[gc]->set_fill(grey_level);} void AW_gc::set_font(int gc,AW_font font_nr, int size, int *found_size) { // if found_size != 0 -> return value for used font size aw_assert(common->gcs[gc]); common->gcs[gc]->set_font(font_nr, size, found_size); } int AW_gc::get_available_fontsizes(int gc, AW_font font_nr, int *available_sizes) { aw_assert(common->gcs[gc]); return common->gcs[gc]->get_available_fontsizes(font_nr, available_sizes); } void AW_gc::set_line_attributes(int gc,AW_pos width,AW_linestyle style){ aw_assert(common->gcs[gc]); common->gcs[gc]->set_lineattributes(width,style); } void AW_gc::set_function(int gc,AW_function function){ aw_assert(common->gcs[gc]); common->gcs[gc]->set_function(function); } void AW_gc::set_foreground_color(int gc, AW_color color) { unsigned long col; if (color>=AW_DATA_BG) { col = common->data_colors[0][color]; }else{ col = common->frame_colors[color]; } common->gcs[gc]->set_foreground_color(col); } void AW_gc::set_background_color(int gc, AW_color color) { unsigned long col; if (color>=AW_DATA_BG) { col = common->data_colors[0][color]; }else{ col = common->frame_colors[color]; } common->gcs[gc]->set_background_color(col); } /********************************************************************************************** COMMON **********************************************************************************************/ void AW_get_common_extends_cb(AW_window *aww,AW_common *common) { AWUSE(aww); Window root; unsigned int width,height; unsigned int depth, borderwidth; XGetGeometry(common->display,common->window_id, &root, &common->screen_x_offset, // xoffset &common->screen_y_offset, // yoffset &width, &height, &borderwidth, // border width &depth); // depth of display common->screen.t = 0; // set clipping coordinates common->screen.b = height; common->screen.l = 0; common->screen.r = width; } AW_common::AW_common(AW_window *aww, AW_area area, Display *display_in, XID window_id_in,unsigned long *fcolors, unsigned int **dcolors, long *data_colors_size_in) { memset((char *)this,0,sizeof(AW_common)); root = aww->get_root(); window_id = window_id_in; display = display_in; frame_colors = fcolors; data_colors = (unsigned long **)dcolors; data_colors_size = data_colors_size_in; ngcs = 8; gcs = (AW_GC_Xm **)malloc(sizeof(void *)*ngcs); memset((char *)gcs,0,sizeof(void *)*ngcs); aww->set_resize_callback(area,(AW_CB2)AW_get_common_extends_cb,(AW_CL)this,0); AW_get_common_extends_cb(aww,this); } /********************************************************************************************** DEVICE and GCS **********************************************************************************************/ // ---------------------------- // AW_clip_scale_stack // ---------------------------- #if defined(DEBUG) // #define SHOW_CLIP_STACK_CHANGES #endif // DEBUG class AW_clip_scale_stack { // completely private, but accessible by AW_device friend class AW_device; AW_rectangle clip_rect; int top_font_overlap; int bottom_font_overlap; int left_font_overlap; int right_font_overlap; AW::Vector offset; AW_pos scale; class AW_clip_scale_stack *next; }; #if defined(SHOW_CLIP_STACK_CHANGES) static const char *clipstatestr(AW_device *device) { static char buffer[1024]; AW_rectangle& clip_rect = device->clip_rect; sprintf(buffer, "clip_rect={t=%i, b=%i, l=%i, r=%i}", clip_rect.t, clip_rect.b, clip_rect.l, clip_rect.r); return buffer; } #endif // SHOW_CLIP_STACK_CHANGES void AW_device::push_clip_scale(void) { AW_clip_scale_stack *stack = new AW_clip_scale_stack; stack->next = clip_scale_stack; clip_scale_stack = stack; stack->scale = get_scale(); stack->offset = get_offset(); stack->top_font_overlap = top_font_overlap; stack->bottom_font_overlap = bottom_font_overlap; stack->left_font_overlap = left_font_overlap; stack->right_font_overlap = right_font_overlap; stack->clip_rect = clip_rect; #if defined(SHOW_CLIP_STACK_CHANGES) printf("push_clip_scale: %s\n", clipstatestr(this)); #endif // SHOW_CLIP_STACK_CHANGES } void AW_device::pop_clip_scale(void){ if (!clip_scale_stack) { AW_ERROR("Too many pop_clip_scale on that device"); return; } #if defined(SHOW_CLIP_STACK_CHANGES) char *state_before_pop = strdup(clipstatestr(this)); #endif // SHOW_CLIP_STACK_CHANGES zoom(clip_scale_stack->scale); set_offset(clip_scale_stack->offset); clip_rect = clip_scale_stack->clip_rect; top_font_overlap = clip_scale_stack->top_font_overlap; bottom_font_overlap = clip_scale_stack->bottom_font_overlap; left_font_overlap = clip_scale_stack->left_font_overlap; right_font_overlap = clip_scale_stack->right_font_overlap; AW_clip_scale_stack *oldstack = clip_scale_stack; clip_scale_stack = clip_scale_stack->next; delete oldstack; #if defined(SHOW_CLIP_STACK_CHANGES) printf("pop_clip_scale: %s -> %s\n", state_before_pop, clipstatestr(this)); free(state_before_pop); #endif // SHOW_CLIP_STACK_CHANGES } // -------------------------------------------------------------------------------- void AW_device::get_area_size(AW_rectangle *rect) { //get the extends from the class AW_device *rect = common->screen; } void AW_device::get_area_size(AW_world *rect) { //get the extends from the class AW_device rect->t = common->screen.t; rect->b = common->screen.b; rect->l = common->screen.l; rect->r = common->screen.r; } AW::Rectangle AW_device::get_area_size() { AW_rectangle& scr = common->screen; return AW::Rectangle(scr.l, scr.t, scr.r, scr.b); } void AW_device::privat_reset() {} void AW_device::reset(){ while (clip_scale_stack){ pop_clip_scale(); } get_area_size(&clip_rect); AW_matrix::reset(); privat_reset(); } AW_device::AW_device(class AW_common *commoni) : AW_gc(){ common = commoni; clip_scale_stack = 0; filter = (AW_bitset)-1; } AW_gc::AW_gc() : AW_clip() {} /********************************************************************************************** DEVICE and OUTPUT **********************************************************************************************/ bool AW_device::invisible(int gc, AW_pos x, AW_pos y, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2) { AWUSE(clientdata1);AWUSE(clientdata2); AWUSE(gc); if(filteri & filter) { AW_pos X,Y; // Transformed pos transform(x,y,X,Y); return ! (Xclip_rect.r || Yclip_rect.b); } return true; } bool AW_device::ready_to_draw(int gc) { return AW_GC_MAPABLE(common, gc); } // PJ: ::zoomtext is defined in AW_xfigfont.cxx int AW_device::generic_box(int gc, bool /*filled*/, AW_pos x0,AW_pos y0,AW_pos width,AW_pos height, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { int erg = 0; if (filteri & filter) { erg |= line(gc,x0,y0,x0+width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0,x0,y0+height,filteri,cd1,cd2); erg |= line(gc,x0+width,y0+height,x0+width,y0+height,filteri,cd1,cd2); erg |= line(gc,x0+width,y0+height,x0+width,y0+height,filteri,cd1,cd2); } return erg; } #if defined(DEVEL_RALF) #warning draw in 45-degree-steps (8-cornered-polygones instead of circles) #endif // DEVEL_RALF int AW_device::generic_circle(int gc, bool /*filled has no effect here*/, AW_pos x0,AW_pos y0,AW_pos width,AW_pos height, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { int erg = 0; if (filteri & filter) { erg |= line(gc,x0,y0+height,x0+width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0+height,x0-width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0-height,x0+width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0-height,x0-width,y0,filteri,cd1,cd2); } return erg; } int AW_device::generic_arc(int gc, bool /*filled has no effect here*/, AW_pos x0,AW_pos y0,AW_pos width,AW_pos height, int /*start_degrees*/, int /*arc_degrees*/, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { int erg = 0; if (filteri & filter) { erg |= line(gc,x0,y0+height,x0+width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0+height,x0-width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0-height,x0+width,y0,filteri,cd1,cd2); erg |= line(gc,x0,y0-height,x0-width,y0,filteri,cd1,cd2); } return erg; } int AW_device::generic_filled_area(int gc, int npoints, AW_pos *points, AW_bitset filteri, AW_CL cd1, AW_CL cd2){ int erg = 0; if (filteri & filter) { npoints--; erg |= line(gc,points[0],points[1],points[npoints*2],points[npoints*2+1],filteri,cd1,cd2); while (npoints>0) { AW_pos x = *(points++); AW_pos y = *(points++); erg |= line(gc,x,y,points[0],points[1],filteri,cd1,cd2); npoints--; } } return erg; } void AW_device::clear(AW_bitset /*filteri*/) {} void AW_device::clear_part(AW_pos /*x*/, AW_pos /*y*/, AW_pos /*width*/, AW_pos /*height*/, AW_bitset /*filteri*/) {} void AW_device::clear_text(int /*gc*/, const char */*string*/, AW_pos /*x*/, AW_pos /*y*/, AW_pos /*alignment*/, AW_bitset /*filteri*/, AW_CL /*cd1*/, AW_CL /*cd2*/) {} void AW_device::move_region( AW_pos /*src_x*/, AW_pos /*src_y*/, AW_pos /*width*/, AW_pos /*height*/, AW_pos /*dest_x*/, AW_pos /*dest_y*/ ) {} void AW_device::fast(void) {} void AW_device::slow(void) {} void AW_device::flush(void) {} // forbidden operations: static void forbidden(const char *toUse) { AW_ERROR("It's not allowed to use '%s' with this device", toUse); } const char *AW_device::open(const char */*path*/) { forbidden("open"); return 0; } void AW_device::close(void) { forbidden("close"); } void AW_device::set_color_mode(bool /*mode*/) { forbidden("set_color_mode"); } void AW_device::get_clicked_line(AW_clicked_line */*ptr*/) { forbidden("get_clicked_line"); } void AW_device::get_clicked_text(AW_clicked_text */*ptr*/) { forbidden("get_clicked_text"); } void AW_device::get_size_information(AW_world */*ptr*/) { forbidden("get_size_information"); } int AW_device::cursor(int gc, AW_pos x0,AW_pos y0, AW_cursor_type cur_type, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2) { class AW_GC_Xm *gcm = AW_MAP_GC(gc); XFontStruct *xfs = &gcm->curfont; AW_pos x1,x2,y1,y2; AW_pos X0,Y0; // Transformed pos // cursor insert cursor overwrite // (X0,Y0) // /\ . // / \ . // ---- // (X1,Y1)(X2,Y2) if(filteri & filter) { if( cur_type == AW_cursor_insert ) { transform(x0,y0,X0,Y0); if (X0 > clip_rect.r) return 0; if (X0 < clip_rect.l) return 0; if (Y0+(AW_pos)(xfs->max_bounds.descent) < clip_rect.t) return 0; if (Y0-(AW_pos)(xfs->max_bounds.ascent) > clip_rect.b) return 0; x1 = x0-4; y1 = y0+4; x2 = x0+4; y2 = y0+4; line(gc,x1,y1,x0,y0,filteri,clientdata1, clientdata2); line(gc,x2,y2,x0,y0,filteri,clientdata1, clientdata2); line(gc,x1,y1,x2,y2,filteri,clientdata1, clientdata2); } } return 1; } int AW_device::text_overlay( int gc, const char *opt_str, long opt_len, // either string or strlen != 0 AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cduser, AW_CL cd1, AW_CL cd2, AW_pos opt_ascent,AW_pos opt_descent, // optional height (if == 0 take font height) int (*f)(AW_device *device, int gc, const char *opt_string, size_t opt_string_len,size_t start, size_t size, AW_pos x,AW_pos y, AW_pos opt_ascent,AW_pos opt_descent, AW_CL cduser, AW_CL cd1, AW_CL cd2)) { long textlen; AW_GC_Xm *gcm = AW_MAP_GC(gc); XFontStruct *xfs = &gcm->curfont; short *size_per_char = common->gcs[gc]->width_of_chars; int xi, yi; int h; int start; int l; int c = 0; AW_pos X0,Y0; // Transformed pos bool inside_clipping_left = true; // clipping at the left edge of the screen is different from clipping right of the left edge. bool inside_clipping_right = true; // es gibt 4 clipping Moeglichkeiten: // 1. man will fuer den Fall clippen, dass man vom linken display-Rand aus druckt => clipping rechts vom 1. Buchstaben // 2. man will fuer den Fall clippen, dass man mitten im Bildschirm ist => clipping links vom 1. Buchstaben // 3. man will fuer den Fall clippen, dass man mitten im Bildschirm ist => clipping links vom letzten Buchstaben // 4. man will fuer den Fall clippen, dass man bis zum rechten display-Rand druckt => clipping rechts vom letzten Buchstaben if (!(filter & filteri)) return 0; if (left_font_overlap || common->screen.l == clip_rect.l) { // was : clip_rect.l == 0 inside_clipping_left = false; } if (right_font_overlap || clip_rect.r == common->screen.r) { // was : clip_rect.r == common->screen.r inside_clipping_right = false; } transform(x,y,X0,Y0); if (top_font_overlap || clip_rect.t == 0) { // check clip border inside screen if (Y0+(AW_pos)(xfs->max_bounds.descent) < clip_rect.t) return 0; // draw outside screen }else { if (Y0-(AW_pos)(xfs->max_bounds.ascent) < clip_rect.t) return 0; // dont cross the clip border } if (bottom_font_overlap || clip_rect.b == common->screen.b) { // check clip border inside screen drucken if (Y0-(AW_pos)(xfs->max_bounds.ascent) > clip_rect.b) return 0; // draw outside screen }else { if (Y0+(AW_pos)(xfs->max_bounds.descent)> clip_rect.b) return 0; // dont cross the clip border } if (!opt_len) { opt_len = textlen = strlen(opt_str); }else{ textlen = opt_len; } aw_assert(opt_len == textlen); aw_assert(int(strlen(opt_str)) >= textlen); if (alignment){ AW_pos width = get_string_size(gc,opt_str,textlen); X0 = X0-alignment*width; } xi = AW_INT(X0); yi = AW_INT(Y0); if (X0 > clip_rect.r) return 0; // right of screen l = (int)clip_rect.l; if (xi + textlen*xfs->max_bounds.width < l) return 0; // left of screen start = 0; if (xi < l) { // now clip left side if (xfs->max_bounds.width == xfs->min_bounds.width) { // monospaced font h = (l - xi)/xfs->max_bounds.width; if (inside_clipping_left) { if ( (l-xi)%xfs->max_bounds.width >0 ) h += 1; } if (h >= textlen) return 0; start = h; xi += h*xfs->max_bounds.width; textlen -= h; if (textlen < 0) return 0; aw_assert(int(strlen(opt_str)) >= textlen); }else { // non-monospaced font for (h=0; xi < l; h++) { if (!(c = opt_str[h])) return 0; xi += size_per_char[c]; } if (!inside_clipping_left) { h-=1; xi -= size_per_char[c]; } start = h; textlen -= h; if (textlen < 0) return 0; aw_assert(int(strlen(opt_str)) >= textlen); } } // now clipp right side if (xfs->max_bounds.width == xfs->min_bounds.width) { // monospaced font h = ((int)clip_rect.r - xi) / xfs->max_bounds.width; if (h < textlen) { if (inside_clipping_right) { textlen = h; }else{ textlen = h+1; } } if (textlen < 0) return 0; aw_assert(int(strlen(opt_str)) >= textlen); } else { // non-monospaced font l = (int)clip_rect.r - xi; for (h = start; l >= 0 && textlen > 0 ; h++, textlen--) { // was textlen >= 0 l -= size_per_char[safeCharIndex(opt_str[h])]; } textlen = h - start; if (l <= 0 && inside_clipping_right && textlen > 0 ) { textlen -= 1; } if (textlen < 0) return 0; aw_assert(int(strlen(opt_str)) >= textlen); } X0 = (AW_pos)xi; rtransform(X0,Y0,x,y); aw_assert(opt_len >= textlen); aw_assert(textlen >= 0 && int(strlen(opt_str)) >= textlen); return f(this,gc,opt_str,opt_len, start ,(size_t)textlen, x,y, opt_ascent, opt_descent, cduser, cd1, cd2); } /********************************************************************************************** DEVICE and ETC **********************************************************************************************/ void AW_device::set_filter(AW_bitset filteri) { filter = filteri; } ./arbsrc_9167/WINDOW/aw_device.hxx0000644012664100000130000004564511440743000016634 0ustar arb_buildcoders#ifndef AW_DEVICE_HXX #define AW_DEVICE_HXX #ifndef AW_ROOT_HXX #include #endif #ifndef AW_POSITION_HXX #include #endif #if defined(DEBUG) && defined(DEBUG_GRAPHICS) // if you want flush() to be called after every motif command : #define AUTO_FLUSH(device) (device)->flush() #else #define AUTO_FLUSH(device) #endif // #define AW_PIXELS_PER_MM 1.0001 // stupid and wrong const AW_bitset AW_ALL_DEVICES = (AW_bitset)-1; const AW_bitset AW_SCREEN = 1; const AW_bitset AW_CLICK = 2; const AW_bitset AW_CLICK_DRAG = 4; const AW_bitset AW_SIZE = 8; const AW_bitset AW_PRINTER = 16; // print/xfig-export const AW_bitset AW_PRINTER_EXT = 32; // (+Handles) use combined with AW_PRINTER only typedef enum { AW_DEVICE_SCREEN = 1, AW_DEVICE_CLICK = 2, AW_DEVICE_SIZE = 8, AW_DEVICE_PRINTER = 16 } AW_DEVICE_TYPE; typedef enum { AW_INFO_AREA, AW_MIDDLE_AREA, AW_BOTTOM_AREA, AW_MAX_AREA } AW_area; enum { AW_FIXED = -1, AW_TIMES = 0, AW_TIMES_ITALIC = 1, AW_TIMES_BOLD = 2, AW_TIMES_BOLD_ITALIC = 3, AW_COURIER = 12, AW_COURIER_OBLIQUE = 13, AW_COURIER_BOLD = 14, AW_COURIER_BOLD_OBLIQUE = 15, AW_HELVETICA = 16, AW_HELVETICA_OBLIQUE = 17, AW_HELVETICA_BOLD = 18, AW_HELVETICA_BOLD_OBLIQUE = 19, AW_HELVETICA_NARROW = 20, AW_HELVETICA_NARROW_OBLIQUE = 21, AW_HELVETICA_NARROW_BOLD = 22, AW_HELVETICA_NARROW_BOLD_OBLIQUE = 23, AW_LUCIDA_SANS = 35, AW_LUCIDA_SANS_OBLIQUE = 36, AW_LUCIDA_SANS_BOLD = 37, AW_LUCIDA_SANS_BOLD_OBLIQUE = 38, AW_LUCIDA_SANS_TYPEWRITER = 39, AW_LUCIDA_SANS_TYPEWRITER_BOLD = 40, AW_SCREEN_MEDIUM = 41, AW_SCREEN_BOLD = 42, AW_CLEAN_MEDIUM = 43, AW_CLEAN_BOLD = 44, AW_TERMINAL_MEDIUM = 45, AW_TERMINAL_BOLD = 46, AW_NUM_FONTS = 47, AW_DEFAULT_NORMAL_FONT = AW_LUCIDA_SANS, AW_DEFAULT_BOLD_FONT = AW_LUCIDA_SANS_BOLD, AW_DEFAULT_FIXED_FONT = AW_LUCIDA_SANS_TYPEWRITER, }; // AW_font typedef enum { AW_WINDOW_BG, AW_WINDOW_FG, AW_WINDOW_C1, AW_WINDOW_C2, AW_WINDOW_C3, AW_WINDOW_DRAG, AW_DATA_BG, AW_COLOR_MAX } AW_color; typedef enum { AW_cursor_insert, AW_cursor_overwrite } AW_cursor_type; // @@@ FIXME: elements of the following classes should go private! class AW_clicked_element { public: AW_CL client_data1; AW_CL client_data2; bool exists; // true if a drawn element was clicked, else false }; class AW_clicked_line : public AW_clicked_element { public: AW_pos x0,y0,x1,y1; AW_pos height; AW_pos length; double distanceTo(const AW::Position& click); }; class AW_clicked_text : public AW_clicked_element { public: AW::Rectangle textArea; // world coordinates of text AW_pos alignment; AW_pos rotation; AW_pos distance; // y-Distance to text, <0 -> above, >0 -> below AW_pos dist2center; // Distance to center of text int cursor; // which letter was selected, from 0 to strlen-1 bool exactHit; // true -> real click on text (not only near text) }; bool AW_getBestClick(const AW::Position& click, AW_clicked_line *cl, AW_clicked_text *ct, AW_CL *cd1, AW_CL *cd2); class AW_matrix { AW::Vector offset; AW_pos scale; AW_pos unscale; // = 1.0/scale public: AW_matrix(void) { this->reset();}; virtual ~AW_matrix() {} void zoom(AW_pos scale); AW_pos get_scale() { return scale; }; AW_pos get_unscale() { return unscale; }; AW::Vector get_offset() const { return offset; } void rotate(AW_pos angle); public: void set_offset(const AW::Vector& off) { offset = off*scale; } void shift(const AW::Vector& doff) { offset += doff*scale; } void reset(void); double transform_size(const double& size) const { return size*scale; } double rtransform_size(const double& size) const { return size*unscale; } // transforming a Vector only scales the vector (a Vector has no position!) AW::Vector transform (const AW::Vector& vec) const { return vec*scale; } AW::Vector rtransform(const AW::Vector& vec) const { return vec*unscale; } // transform a Position AW::Position transform (const AW::Position& pos) const { return transform(AW::Vector(pos+offset)).endpoint(); } AW::Position rtransform(const AW::Position& pos) const { return rtransform(AW::Vector(pos)).endpoint()-offset; } #if defined(DEVEL_RALF) && 0 #warning fix transformations // @@@ I think this calculation is wrong, cause offset is already scaled // (same applies to old-style transform/rtransform below) #endif // DEVEL_RALF AW::LineVector transform (const AW::LineVector& lvec) const { return AW::LineVector(transform(lvec.start()), transform(lvec.line_vector())); } AW::LineVector rtransform(const AW::LineVector& lvec) const { return AW::LineVector(rtransform(lvec.start()), rtransform(lvec.line_vector())); } // old style functions, not preferred: void transform(int x,int y,int& xout,int& yout) const { xout = int((x+offset.x())*scale); yout = int((y+offset.y())*scale); } void transform(AW_pos x,AW_pos y,AW_pos& xout,AW_pos& yout) const { xout = (x+offset.x())*scale; yout = (y+offset.y())*scale; } void rtransform(int x,int y,int& xout,int& yout) const { xout = int(x*unscale - offset.x()); yout = int(y*unscale - offset.y()); } void rtransform(AW_pos x,AW_pos y,AW_pos& xout,AW_pos& yout) const { xout = x*unscale - offset.x(); yout = y*unscale - offset.y(); } }; class AW_common; class AW_clip { friend class AW_device; protected: int compoutcode(AW_pos xx, AW_pos yy) { /* calculate outcode for clipping the current line */ /* order - top,bottom,right,left */ int code = 0; if (clip_rect.b - yy < 0) code = 4; else if (yy - clip_rect.t < 0) code = 8; if (clip_rect.r - xx < 0) code |= 2; else if (xx - clip_rect.l < 0) code |= 1; return(code); }; public: class AW_common *common; // ****** read only section AW_rectangle clip_rect; //holds the clipping rectangle coordinates int top_font_overlap; int bottom_font_overlap; int left_font_overlap; int right_font_overlap; // ****** real public int clip(AW_pos x0, AW_pos y0, AW_pos x1, AW_pos y1, AW_pos& x0out, AW_pos& y0out, AW_pos& x1out, AW_pos& y1out); int box_clip(AW_pos x0, AW_pos y0, AW_pos x1, AW_pos y1, AW_pos& x0out, AW_pos& y0out, AW_pos& x1out, AW_pos& y1out); void set_top_clip_border(int top, bool allow_oversize = false); void set_bottom_clip_border(int bottom, bool allow_oversize = false); // absolut void set_bottom_clip_margin(int bottom, bool allow_oversize = false); // relativ void set_left_clip_border(int left, bool allow_oversize = false); void set_right_clip_border(int right, bool allow_oversize = false); void set_cliprect(AW_rectangle *rect, bool allow_oversize = false); void set_clipall() { AW_rectangle rect; rect.t = rect.b = rect.l = rect.r = 0; set_cliprect(&rect); // clip all -> nothing drawn afterwards } void set_top_font_overlap(int val=1); void set_bottom_font_overlap(int val=1); void set_left_font_overlap(int val=1); void set_right_font_overlap(int val=1); // like set_xxx_clip_border but make window only smaller: void reduce_top_clip_border(int top); void reduce_bottom_clip_border(int bottom); void reduce_left_clip_border(int left); void reduce_right_clip_border(int right); int reduceClipBorders(int top, int bottom, int left, int right); AW_clip(); virtual ~AW_clip() {} }; struct AW_font_limits { short ascent; short descent; short height; short width; void reset() { ascent = descent = height = width = 0; } void notify_ascent (int a_ascent ){ if(a_ascent >ascent ) ascent = a_ascent; } void notify_descent(int a_descent){ if(a_descent>descent) descent = a_descent; } void notify_width (int a_width ){ if(a_width >width ) width = a_width; } void notify_all(int a_ascent, int a_descent, int a_width) { notify_ascent (a_ascent); notify_descent(a_descent); notify_width (a_width); } void calc_height() { height = ascent+descent+1; } static int max(int i1, int i2) { return i1 // ____________________________________________________________ // start of implementation of class AW_font_group: AW_font_group::AW_font_group() { unregisterAll(); } void AW_font_group::unregisterAll() { max_width = 0; max_ascent = 0; max_descent = 0; max_height = 0; memset(&max_letter_limits[0], 0, sizeof(max_letter_limits)); } inline void set_max(int val, int& max) { if (val>max) max = val; } void AW_font_group::registerFont(AW_device *device, int gc, const char *chars) { aw_assert(gc <= AW_FONT_GROUP_MAX_GC); if (!chars) { // use complete ASCII-range for limits max_letter_limits[gc] = device->get_font_information(gc, 0)->max_letter; } else { aw_assert(chars[0]); max_letter_limits[gc] = device->get_font_information(gc, chars[0])->this_letter; for (int i = 1; chars[i]; ++i) { max_letter_limits[gc] = AW_font_limits(max_letter_limits[gc], device->get_font_information(gc, chars[i])->this_letter); } } set_max(get_width(gc), max_width); set_max(get_ascent(gc), max_ascent); set_max(get_descent(gc), max_descent); set_max(get_height(gc), max_height); } // -end- of implementation of class AW_font_group. ./arbsrc_9167/WINDOW/aw_font_group.hxx0000644012664100000130000000403311440743000017541 0ustar arb_buildcoders// ==================================================================== // // // // File : aw_font_group.hxx // // Purpose : Bundles a group of fonts and provides overall maximas // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in December 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef AW_FONT_GROUP_HXX #define AW_FONT_GROUP_HXX #ifndef AW_DEVICE_HXX #include #endif #define AW_FONT_GROUP_MAX_GC 10 class AW_font_group { AW_font_limits max_letter_limits[AW_FONT_GROUP_MAX_GC+1]; int max_width; // maximas of all registered fonts int max_ascent; int max_descent; int max_height; public: AW_font_group(); void unregisterAll(); void registerFont(AW_device *device_, int gc, const char *chars = 0); // if no 'chars' specified => use complete ASCII-range int get_width (int gc) const { return max_letter_limits[gc].width; } int get_ascent (int gc) const { return max_letter_limits[gc].ascent; } int get_descent(int gc) const { return max_letter_limits[gc].descent; } int get_height (int gc) const { return max_letter_limits[gc].height; } // maximas of all registered fonts: int get_max_width () const { return max_width; } int get_max_ascent () const { return max_ascent; } int get_max_descent() const { return max_descent; } int get_max_height () const { return max_height; } }; #else #error aw_font_group.hxx included twice #endif // AW_FONT_GROUP_HXX ./arbsrc_9167/WINDOW/AW_global_awars.cxx0000644012664100000130000001020011440743000017700 0ustar arb_buildcoders// ==================================================================== // // // // File : AW_global_awars.cxx // // Purpose : Make some awars accessible from ALL arb applications // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #define TEMP_DB_PATH "tmp/global_awars" #include #include #include #include #include #include #include static GBDATA *gb_main4awar = 0; // gb_main used for global awars inline const char *get_db_path(const AW_awar *awar) { return GBS_global_string("%s/%s", TEMP_DB_PATH, awar->awar_name); } static bool in_global_awar_cb = false; static void awar_updated_cb(AW_root */*aw_root*/, AW_CL cl_awar) { if (!in_global_awar_cb) { AW_awar *awar = (AW_awar*)cl_awar; char *content = awar->read_as_string(); const char *db_path = get_db_path(awar); GB_transaction dummy(gb_main4awar); GBDATA *gbd = GB_search(gb_main4awar, db_path, GB_FIND); aw_assert(gbd); // should exists in_global_awar_cb = true; GB_write_string(gbd, content); in_global_awar_cb = false; free(content); } } static void db_updated_cb(GBDATA *gbd, int *cl_awar, GB_CB_TYPE /*cbtype*/) { if (!in_global_awar_cb) { AW_awar *awar = (AW_awar*)cl_awar; GB_transaction dummy(gb_main4awar); in_global_awar_cb = true; awar->write_as_string(GB_read_char_pntr(gbd)); in_global_awar_cb = false; } } GB_ERROR AW_awar::make_global() { #if defined(DEBUG) aw_assert(!is_global); // don't make awars global twice! aw_assert(gb_main4awar); is_global = true; #endif // DEBUG add_callback(awar_updated_cb, (AW_CL)this); GB_transaction dummy(gb_main4awar); const char *db_path = get_db_path(this); GBDATA *gbd = GB_search(gb_main4awar, db_path, GB_FIND); GB_ERROR error = 0; if (gbd) { // was already set by another ARB application // -> read db value and store in awar const char *content = GB_read_char_pntr(gbd); write_as_string(content); } else { // store awar value in db char *content = read_as_string(); gbd = GB_search(gb_main4awar, db_path, GB_STRING); if (!gbd) error = GB_await_error(); else error = GB_write_string(gbd, content); free(content); } if (!error) GB_add_callback(gbd, GB_CB_CHANGED, db_updated_cb, (int*)this); return error; } static bool initialized = false; bool ARB_global_awars_initialized() { return initialized; } static void AWAR_AWM_MASK_changed_cb(AW_root *awr) { int mask = awr->awar(AWAR_AWM_MASK)->read_int(); #if defined(DEBUG) printf("AWAR_AWM_MASK changed, calling apply_sensitivity(%i)\n", mask); #endif awr->apply_sensitivity(mask); } #if defined(DARWIN) #define OPENURL "open" #else #define OPENURL "xdg-open" #endif // DARWIN GB_ERROR ARB_init_global_awars(AW_root *aw_root, AW_default aw_def, GBDATA *gb_main) { aw_assert(!initialized); // don't call twice! initialized = true; gb_main4awar = gb_main; GB_ERROR error = aw_root->awar_string(AWAR_WWW_BROWSER, OPENURL " \"$(URL)\"", aw_def)->make_global(); if (!error) { AW_awar *awar_awm_mask = aw_root->awar_int(AWAR_AWM_MASK, AWM_MASK_UNKNOWN, aw_def); awar_awm_mask->add_callback(AWAR_AWM_MASK_changed_cb); error = awar_awm_mask->make_global(); } return error; } ./arbsrc_9167/WINDOW/aw_global_awars.hxx0000644012664100000130000000226111440743000020015 0ustar arb_buildcoders// ==================================================================== // // // // File : aw_global_awars.hxx // // Purpose : define awars available in ALL arb applications // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2003 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef AW_GLOBAL_AWARS_HXX #define AW_GLOBAL_AWARS_HXX #define AWAR_WWW_BROWSER "www/browse_cmd" // how to call the users browser #else #error aw_global_awars.hxx included twice #endif // AW_GLOBAL_AWARS_HXX ./arbsrc_9167/WINDOW/aw_global.hxx0000644012664100000130000000270711440743000016625 0ustar arb_buildcoders// ==================================================================== // // // // File : aw_global.hxx // // Purpose : global functions from WINDOWS lib // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in June 2004 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // ==================================================================== // #ifndef AW_GLOBAL_HXX #define AW_GLOBAL_HXX #ifndef AW_ROOT_HXX #include #endif void aw_create_selection_box_awars(AW_root *awr, const char *awar_base, const char *directory, const char *filter, const char *file_name, AW_default default_file = AW_ROOT_DEFAULT, bool resetValues = false); void aw_detect_text_size(const char *text, size_t& width, size_t& height); #else #error aw_global.hxx included twice #endif // AW_GLOBAL_HXX ./arbsrc_9167/WINDOW/aw_keysym.hxx0000644012664100000130000000254311213220015016676 0ustar arb_buildcoders// =========================================================== // // // // File : aw_keysym.hxx // // Purpose : // // // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =========================================================== // #ifndef AW_KEYSYM_HXX #define AW_KEYSYM_HXX typedef enum { AW_KEY_NONE, AW_KEY_ESCAPE, AW_KEY_F1, AW_KEY_F2, AW_KEY_F3, AW_KEY_F4, AW_KEY_F5, AW_KEY_F6, AW_KEY_F7, AW_KEY_F8, AW_KEY_F9, AW_KEY_F10, AW_KEY_F11, AW_KEY_F12, AW_KEY_LEFT, AW_KEY_RIGHT, AW_KEY_UP, AW_KEY_DOWN, AW_KEY_DELETE, AW_KEY_BACKSPACE, AW_KEY_INSERT, AW_KEY_HELP, AW_KEY_HOME, AW_KEY_END, AW_KEY_RETURN, AW_KEY_TAB, AW_KEY_ASCII } AW_key_code; typedef enum { AW_KEYMODE_NONE = 0, AW_KEYMODE_SHIFT = 2, AW_KEYMODE_CONTROL = 4, AW_KEYMODE_ALT = 8, // Alt or Meta key AW_KEYMODE_NUMLOCK = 16, } AW_key_mod; #else #error aw_keysym.hxx included twice #endif // AW_KEYSYM_HXX ./arbsrc_9167/WINDOW/AW_nawar.cxx0000644012664100000130000006253511440743000016375 0ustar arb_buildcoders#include #include #include #include // #include #include #include "aw_root.hxx" #include "aw_nawar.hxx" #include "awt.hxx" #define AWAR_EPS 0.00000001 #if defined(DEBUG) // uncomment next line to dump all awar-changes to stderr // #define DUMP_AWAR_CHANGES #endif // DEBUG AW_var_target::AW_var_target(void* pntr, AW_var_target *nexti){ next = nexti; pointer = pntr; } AW_var_callback::AW_var_callback( void (*vc_cb)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2, AW_var_callback *nexti ) { value_changed_cb = vc_cb; value_changed_cb_cd1 = cd1; value_changed_cb_cd2 = cd2; next = nexti; } void AW_var_callback::run_callback(AW_root *root) { if (this->next) this->next->run_callback(root); // callback the whole list if (!this->value_changed_cb) return; this->value_changed_cb(root,this->value_changed_cb_cd1,this->value_changed_cb_cd2); } void AW_var_gbdata_callback_delete_intern(GBDATA *, int *cl) { AW_awar *awar = (AW_awar *)cl; awar->gb_var = 0; awar->update(); } extern "C" void AW_var_gbdata_callback(GBDATA *, int *cl, GB_CB_TYPE) { AW_awar *awar = (AW_awar *)cl; awar->update(); } extern "C" void AW_var_gbdata_callback_delete(GBDATA *gbd, int *cl, GB_CB_TYPE) { AW_var_gbdata_callback_delete_intern(gbd, cl); } GB_ERROR AW_MSG_UNMAPPED_AWAR = "Error (unmapped AWAR):\n" "You cannot write to this field because it is either deleted or\n" "unmapped. Try to select a different item, reselect this and retry."; char *AW_awar::read_as_string( void ) { if (!gb_var) return strdup(""); GB_transaction ta(gb_var); return GB_read_as_string(gb_var); } char *AW_awar::read_string(){ aw_assert(variable_type == AW_STRING); if (!gb_var) return strdup(""); GB_transaction ta(gb_var); return GB_read_string(gb_var); } const char *AW_awar::read_char_pntr(){ aw_assert(variable_type == AW_STRING); if (!gb_var) return ""; GB_transaction ta(gb_var); return GB_read_char_pntr(gb_var); } long AW_awar::read_int() { if (!gb_var) return 0; GB_transaction ta(gb_var); return (long)GB_read_int( gb_var ); } double AW_awar::read_float() { if (!gb_var) return 0.0; GB_transaction ta(gb_var); return GB_read_float(gb_var); } void *AW_awar::read_pointer() { if (!gb_var) return NULL; GB_transaction ta(gb_var); return GB_read_pointer(gb_var); } #if defined(DUMP_AWAR_CHANGES) #define AWAR_CHANGE_DUMP(name, where, format) fprintf(stderr, "change awar '%s' " where "(" format ")\n", name, para) #else #define AWAR_CHANGE_DUMP(name, where, format) #endif // DEBUG #define concat(x, y) x##y #define WRITE_SKELETON(self, type, format, func) \ GB_ERROR AW_awar::self(type para) { \ if (!gb_var) return AW_MSG_UNMAPPED_AWAR; \ GB_transaction ta(gb_var); \ AWAR_CHANGE_DUMP(awar_name, #self, format); \ return func(gb_var, para); \ } \ GB_ERROR AW_awar::concat(re, self)(type para) { \ if (!gb_var) return AW_MSG_UNMAPPED_AWAR; \ GB_transaction ta(gb_var); \ AWAR_CHANGE_DUMP(awar_name, #self, format); \ GB_ERROR error = func(gb_var, para); \ GB_touch(gb_var); \ return error; \ } WRITE_SKELETON(write_string, const char*, "%s", GB_write_string) // defines rewrite_string WRITE_SKELETON(write_int, long, "%li", GB_write_int) // defines rewrite_int WRITE_SKELETON(write_float, double, "%f", GB_write_float) // defines rewrite_float WRITE_SKELETON(write_as_string, const char*, "%s", GB_write_as_string) // defines rewrite_as_string WRITE_SKELETON(write_pointer, void*, "%p", GB_write_pointer) // defines rewrite_pointer #undef WRITE_SKELETON #undef concat #undef AWAR_CHANGE_DUMP void AW_awar::touch( void ) { if (!gb_var) { return; } GB_transaction dummy(gb_var); GB_touch( gb_var ); } AW_default aw_main_root_default = (AW_default) "this is a dummy text asfasf asfd"; AW_default aw_check_default_file(AW_default root_default, AW_default default_file,const char *varname) { if (default_file == aw_main_root_default) return root_default; if (default_file == NULL) { AW_ERROR("Creating variable '%s' with zero default file\n",varname); return root_default; } return default_file; } // for string AW_awar *AW_root::awar_string( const char *var_name, const char *default_value, AW_default default_file ) { AW_awar *vs = (AW_awar *)GBS_read_hash(hash_table_for_variables, (char *)var_name); if (!vs) { default_file = aw_check_default_file(this->application_database,default_file,var_name); vs = new AW_awar(AW_STRING, var_name, default_value, 0, default_file, this); GBS_write_hash(hash_table_for_variables, (char *)var_name, (long)vs); } return vs; } // for int AW_awar *AW_root::awar_int(const char *var_name, long default_value, AW_default default_file) { AW_awar *vs = (AW_awar *)GBS_read_hash(hash_table_for_variables, (char *)var_name); if (!vs) { default_file = aw_check_default_file(this->application_database,default_file,var_name); vs = new AW_awar(AW_INT, var_name, (char *)default_value, 0, default_file, this); GBS_write_hash(hash_table_for_variables, (char *)var_name, (long)vs); } return vs; } // for float AW_awar *AW_root::awar_float(const char *var_name, float default_value, AW_default default_file) { AW_awar *vs = (AW_awar *)GBS_read_hash(hash_table_for_variables, (char *)var_name); if (!vs) { default_file = aw_check_default_file(this->application_database,default_file,var_name); vs = new AW_awar(AW_FLOAT, var_name, "", (double)default_value, default_file, this); GBS_write_hash(hash_table_for_variables, (char *)var_name, (long)vs); } return vs; } AW_awar *AW_root::awar_pointer(const char *var_name, void *default_value, AW_default default_file) { AW_awar *vs = (AW_awar *)GBS_read_hash(hash_table_for_variables, (char *)var_name); if (!vs) { default_file = aw_check_default_file(this->application_database,default_file,var_name); vs = new AW_awar(AW_POINTER, var_name, (const char *)default_value, NULL, default_file, this); GBS_write_hash(hash_table_for_variables, (char *)var_name, (long)vs); } return vs; } AW_awar *AW_root::awar_no_error(const char *var_name){ AW_awar *vs = (AW_awar *)GBS_read_hash(hash_table_for_variables, (char *)var_name); return vs; } AW_awar *AW_root::awar(const char *var_name){ AW_awar *vs = (AW_awar *)GBS_read_hash(hash_table_for_variables, (char *)var_name); if (vs) return vs; /* already defined */ AW_ERROR("AWAR %s not defined",var_name); return this->awar_string(var_name); } AW_awar *AW_awar::add_callback( void (*f)(class AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ) { callback_list = new AW_var_callback(f,cd1,cd2,callback_list); return this; } AW_awar *AW_awar::add_callback( void (*f)(AW_root*,AW_CL), AW_CL cd1 ) { return add_callback((AW_RCB)f,cd1,0); } AW_awar *AW_awar::add_callback( void (*f)(AW_root*)){ return add_callback((AW_RCB)f,0,0); } AW_awar *AW_awar::remove_callback( void (*f)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ){ // remove a callback, please set unused AW_CL to (AW_CL)0 AW_var_callback *prev = 0; for (AW_var_callback *vc = callback_list; vc; vc = vc->next){ if (vc->value_changed_cb== f && vc->value_changed_cb_cd1 == cd1 && vc->value_changed_cb_cd2 == cd2){ if (prev) { prev->next = vc->next; }else{ callback_list = vc->next; } delete vc; break; } prev = vc; } return this; } AW_awar *AW_awar::remove_callback(void (*f)(AW_root*, AW_CL), AW_CL cd1) { return remove_callback((AW_RCB) f, cd1, 0); } AW_awar *AW_awar::remove_callback(void (*f)(AW_root*)) { return remove_callback((AW_RCB) f, 0, 0); } void AW_awar::remove_all_callbacks() { while (callback_list) { AW_var_callback *del = callback_list; callback_list = del->next; delete del; } } // -------------------------------------------------------------------------------- bool AW_awar::unlink_from_DB(GBDATA *gb_main) { bool make_zombie = false; if (gb_origin == gb_var) { // not mapped if (gb_var) { // no zombie awar if (GB_get_root(gb_var) == gb_main) { // awar is in questionable DB make_zombie = true; } } } else { if (GB_get_root(gb_var) == gb_main) { if (GB_get_root(gb_origin) == gb_main) { // mapped and origin in DB make_zombie = true; } else { // origin is in other DB -> just unmap unmap(); } } else { if (GB_get_root(gb_origin) == gb_main) { // origin is in DB, current mapping is not // -> remap permanentely gb_origin = gb_var; } // else both are in other DB -> nothing to do } } if (make_zombie) { remove_all_callbacks(); remove_all_target_vars(); map(AW_default(NULL)); // map to nothing gb_origin = NULL; // make zombie awar (will not unmap) } return make_zombie; } long AW_unlink_awar_from_DB(const char *key, long cl_awar, void *cl_gb_main) { AW_awar *awar = (AW_awar*)cl_awar; GBDATA *gb_main = (GBDATA*)cl_gb_main; #if defined(DEBUG) && 0 bool is_zombie = awar->unlink_from_DB(gb_main); if (is_zombie) printf("Unlinked awar '%s' from DB\n", key); #else AWUSE(key); awar->unlink_from_DB(gb_main); #endif // DEBUG return cl_awar; } void AW_root::unlink_awars_from_DB(AW_default database) { GBDATA *gb_main = (GBDATA*)database; aw_assert(GB_get_root(gb_main) == gb_main); GB_transaction ta(gb_main); // needed in awar-callbacks during unlink GBS_hash_do_loop(hash_table_for_variables, AW_unlink_awar_from_DB, gb_main); } // -------------------------------------------------------------------------------- GB_ERROR AW_awar::toggle_toggle(){ char *var = this->read_as_string(); GB_ERROR error =0; if (var[0] == '0' || var[0] == 'n') { switch (this->variable_type) { case AW_STRING: error = this->write_string("yes");break; case AW_INT: error = this->write_int(1);break; case AW_FLOAT: error = this->write_float(1.0);break; default: break; } }else{ switch (this->variable_type) { case AW_STRING: error = this->write_string("no");break; case AW_INT: error = this->write_int(0);break; case AW_FLOAT: error = this->write_float(0.0);break; default: break; } } free(var); return error; } AW_awar *AW_awar::set_minmax(float min, float max){ if (min>max || variable_type == AW_STRING) { AW_ERROR("ERROR: set MINMAX for AWAR '%s' invalid",awar_name); }else{ pp.f.min = min; pp.f.max = max; update(); // corrects wrong default value } return this; } AW_awar *AW_awar::add_target_var( char **ppchr){ if (variable_type != AW_STRING) { AW_ERROR("Cannot set target awar '%s', WRONG AWAR TYPE",awar_name); }else{ target_list = new AW_var_target((void *)ppchr,target_list); update_target(target_list); } return this; } AW_awar *AW_awar::add_target_var( float *pfloat){ if (variable_type != AW_FLOAT) { AW_ERROR("Cannot set target awar '%s', WRONG AWAR TYPE",awar_name); }else{ target_list = new AW_var_target((void *)pfloat,target_list); update_target(target_list); } return this; } AW_awar *AW_awar::add_target_var( long *pint){ if (variable_type != AW_INT) { AW_ERROR("Cannot set target awar '%s', WRONG AWAR TYPE",awar_name); }else{ target_list = new AW_var_target((void *)pint,target_list); update_target(target_list); } return this; } void AW_awar::remove_all_target_vars() { while (target_list) { AW_var_target *tar = target_list; target_list = tar->next; delete tar; } } AW_awar *AW_awar::set_srt(const char *srt) { if (variable_type != AW_STRING) { AW_ERROR("ERROR: set SRT for AWAR '%s' invalid",awar_name); }else{ pp.srt = srt; } return this; } AW_awar *AW_awar::map(AW_default gbd) { if (gbd) GB_push_transaction((GBDATA *)gbd); if (gb_var) { /* old map */ GB_remove_callback((GBDATA *)gb_var, GB_CB_CHANGED, (GB_CB)AW_var_gbdata_callback, (int *)this); GB_remove_callback((GBDATA *)gb_var, GB_CB_DELETE, (GB_CB)AW_var_gbdata_callback_delete, (int *)this); } if (gbd){ GB_add_callback((GBDATA *) gbd, GB_CB_CHANGED, (GB_CB)AW_var_gbdata_callback, (int *)this ); GB_add_callback((GBDATA *) gbd, GB_CB_DELETE, (GB_CB)AW_var_gbdata_callback_delete, (int *)this ); } gb_var = (GBDATA *)gbd; this->update(); if (gbd) GB_pop_transaction((GBDATA *)gbd); return this; } AW_awar *AW_awar::map( AW_awar *dest) { return this->map(dest->gb_var); } AW_awar *AW_awar::unmap( ) { return this->map(gb_origin); } AW_VARIABLE_TYPE AW_awar::get_type(){ return this->variable_type; } void AW_awar::update(void) { bool out_of_range = false; if (gb_var && ((pp.f.min != pp.f.max) || pp.srt) ) { float fl; char *str; switch (variable_type) { case AW_INT:{ long lo; lo = this->read_int(); if (lo < pp.f.min -.5) { out_of_range = true; lo = (int)(pp.f.min + 0.5); } if (lo>pp.f.max + .5) { out_of_range = true; lo = (int)(pp.f.max + 0.5); } if (out_of_range) { if (root) root->changer_of_variable = 0; this->write_int(lo); return; // returns update !!!! } break; } case AW_FLOAT: fl = this->read_float(); if (fl < pp.f.min) { out_of_range = true; fl = pp.f.min+AWAR_EPS; } if (fl>pp.f.max) { out_of_range = true; fl = pp.f.max-AWAR_EPS; } if (out_of_range) { if (root) root->changer_of_variable = 0; this->write_float(fl); // returns update !!!! return; } break; case AW_STRING: str = this->read_string(); char *n; n = GBS_string_eval(str,pp.srt,0); if (!n) AW_ERROR("SRT ERROR %s %s", pp.srt, GB_await_error()); else{ if (strcmp(n,str)) { this->write_string(n); free(n); free(str); return; } free(n); } free(str); break; default: break; } } this->update_targets(); this->run_callbacks(); } void AW_awar::run_callbacks(){ if (callback_list) callback_list->run_callback(root); } // send data to all variables void AW_awar::update_target(AW_var_target *pntr){ if (!pntr->pointer) return; switch(variable_type) { case AW_STRING: this->get((char **)pntr->pointer);break; case AW_FLOAT: this->get((float *)pntr->pointer);break; case AW_INT: this->get((long *)pntr->pointer);break; default: gb_assert(0); GB_warning("Unknown awar type"); break; } } // send data to all variables void AW_awar::update_targets(void){ AW_var_target*pntr; for (pntr = target_list; pntr; pntr = pntr->next){ update_target(pntr); } } AW_awar::AW_awar(AW_VARIABLE_TYPE var_type, const char *var_name, const char *var_value, double var_double_value, AW_default default_file, AW_root *rooti){ memset((char *)this,0,sizeof(AW_awar)); GB_transaction dummy((GBDATA *)default_file); aw_assert(var_name && var_name[0] != 0); #if defined(DEBUG) GB_ERROR err = GB_check_hkey(var_name); aw_assert(!err); #endif // DEBUG this->awar_name = strdup(var_name); this->root = rooti; GBDATA *gb_def = GB_search((GBDATA *)default_file, var_name,GB_FIND); GB_TYPES wanted_gbtype = (GB_TYPES)var_type; if ( gb_def ) { // belege Variable mit Datenbankwert GB_TYPES gbtype = GB_read_type(gb_def); if (gbtype != wanted_gbtype) { GB_warningf("Existing awar '%s' has wrong type (%i instead of %i) - recreating\n", var_name, int(gbtype), int(wanted_gbtype)); GB_delete(gb_def); gb_def = 0; } } if (!gb_def) { // belege Variable mit Programmwert gb_def = GB_search( (GBDATA *)default_file, var_name, wanted_gbtype); switch (var_type) { case AW_STRING: #if defined(DUMP_AWAR_CHANGES) fprintf(stderr, "creating awar_string '%s' with default value '%s'\n", var_name, (char*)var_value); #endif // DUMP_AWAR_CHANGES GB_write_string(gb_def, (char *)var_value); break; case AW_INT: #if defined(DUMP_AWAR_CHANGES) fprintf(stderr, "creating awar_int '%s' with default value '%li'\n", var_name, (long)var_value); #endif // DUMP_AWAR_CHANGES GB_write_int(gb_def, (long)var_value); break; case AW_FLOAT: #if defined(DUMP_AWAR_CHANGES) fprintf(stderr, "creating awar_float '%s' with default value '%f'\n", var_name, (double)var_double_value); #endif // DUMP_AWAR_CHANGES GB_write_float(gb_def, (double)var_double_value); break; case AW_POINTER: #if defined(DUMP_AWAR_CHANGES) fprintf(stderr, "creating awar_pointer '%s' with default value '%p'\n", var_name, (void*)var_value); #endif // DUMP_AWAR_CHANGES GB_write_pointer(gb_def, (void*)var_value); break; default: GB_warningf("AWAR '%s' cannot be created because of disallowed type",var_name); break; } } variable_type = var_type; this->gb_origin = gb_def; this->map(gb_def); } AW_default AW_root::open_default(const char *default_name, bool create_if_missing) { if (!create_if_missing) { // used to check for existing specific properties const char *home = GB_getenvHOME(); char *buffer = (char *)GB_calloc(sizeof(char),strlen(home)+ strlen(default_name) + 2); sprintf(buffer,"%s/%s", home, default_name); struct stat st; bool found = stat(buffer, &st) == 0; free(buffer); if (!found) return 0; } #if defined(DEVEL_RALF) #warning gb_default is never closed // close it somewhere and call AWT_browser_forget_db as well #endif // DEVEL_RALF GBDATA *gb_default = GB_open(default_name, "rwcD"); if (gb_default) { GB_no_transaction(gb_default); GBDATA *gb_tmp = GB_search(gb_default, "tmp", GB_CREATE_CONTAINER); GB_set_temporary(gb_tmp); #if defined(DEBUG) AWT_announce_db_to_browser(gb_default, GBS_global_string("Properties (%s)", default_name)); #endif // DEBUG } else { GB_ERROR error = GB_await_error(); const char *shown_name = strrchr(default_name, '/'); if (!shown_name) shown_name = default_name; GBK_terminatef("Error loading properties '%s': %s", shown_name, error); } return (AW_default) gb_default; } AW_error *AW_root::save_default( const char *var_name ) { return save_default(var_name, NULL); } AW_error *AW_root::save_default( const char *var_name, const char *file_name) { AW_awar *vs; if ( (vs = this->awar( var_name )) ) { AW_root::save_default((AW_default)vs->gb_var, file_name); return 0; }else { AW_ERROR("AW_root::save_default: Variable %s not defined", var_name); } return 0; } AW_error *AW_root::save_default(AW_default aw_default, const char *file_name) { GBDATA *gb_main = GB_get_root((GBDATA *)aw_default); GB_push_transaction(gb_main); aw_update_awar_window_geometry(this); GB_pop_transaction(gb_main); GB_save_in_home(gb_main,file_name,"a"); return 0; } AW_default AW_root::get_default(const char *varname) { GBDATA *gbd; AW_awar *vs; if ( (vs = this->awar( varname )) ) { gbd = vs->gb_var; return (AW_default)GB_get_root(gbd); }else { AW_ERROR("AW_root::get_default: Variable %s not defined", varname); } return 0; } AW_default AW_root::get_gbdata( const char *varname) { GBDATA *gbd; AW_awar *vs; if ( (vs = this->awar( varname )) ) { gbd = vs->gb_var; return (AW_default)gbd; }else { AW_ERROR("AW_root::get_gbdata: Variable %s not defined", varname); } return 0; } AW_awar *AW_root::label_is_awar(const char *label) { AW_awar *awar_exists = NULL; size_t off = strcspn(label, "/ "); if (label[off] == '/') { // contains '/' and no space before first '/' awar_exists = awar_no_error(label); } return awar_exists; } // --------------------------- // Awar_Callback_Info // --------------------------- void Awar_Callback_Info::remap(const char *new_awar) { if (strcmp(awar_name, new_awar) != 0) { remove_callback(); freedup(awar_name, new_awar); add_callback(); } } void Awar_Callback_Info::init(AW_root *awr_, const char *awar_name_, Awar_CB2 callback_, AW_CL cd1_, AW_CL cd2_) { awr = awr_; callback = callback_; cd1 = cd1_; cd2 = cd2_; awar_name = strdup(awar_name_); org_awar_name = strdup(awar_name_); } void aw_create_selection_box_awars(AW_root *awr, const char *awar_base, const char *directory, const char *filter, const char *file_name, AW_default default_file, bool resetValues) { int base_len = strlen(awar_base); bool has_slash = awar_base[base_len-1] == '/'; char *awar_name = new char[base_len+30]; // use private buffer, because caller will most likely use GBS_global_string for arguments sprintf(awar_name, "%s%s", awar_base, "/directory"+int(has_slash)); AW_awar *awar_dir = awr->awar_string(awar_name, directory, default_file); sprintf(awar_name, "%s%s", awar_base, "/filter" +int(has_slash)); AW_awar *awar_filter = awr->awar_string(awar_name, filter, default_file); sprintf(awar_name, "%s%s", awar_base, "/file_name"+int(has_slash)); AW_awar *awar_filename = awr->awar_string(awar_name, file_name, default_file); if (resetValues) { awar_dir->write_string(directory); awar_filter->write_string(filter); awar_filename->write_string(file_name); } else { char *stored_directory = awar_dir->read_string(); #if defined(DEBUG) if (strncmp(awar_base, "tmp/", 4) == 0) { // non-saved awar if (directory[0] != 0) { // accept empty dir (means : use current ? ) aw_assert(GB_is_directory(directory)); // default directory does not exist } } #endif // DEBUG if (strcmp(stored_directory, directory) != 0) { // does not have default value #if defined(DEBUG) const char *arbhome = GB_getenvARBHOME(); int arbhomelen = strlen(arbhome); if (strncmp(directory, arbhome, arbhomelen) == 0) { // default points into $ARBHOME aw_assert(resetValues); // should be called with resetValues == true // otherwise it's possible, that locations from previously installed ARB versions are used } #endif // DEBUG if (!GB_is_directory(stored_directory)) { awar_dir->write_string(directory); fprintf(stderr, "Warning: Replaced reference to non-existing directory '%s'\n" " by '%s'\n" " (Save properties to make this change permanent)\n", stored_directory, directory); } } free(stored_directory); } char *dir = awar_dir->read_string(); if (dir[0] && !GB_is_directory(dir)) { if (aw_ask_sure(GBS_global_string("Directory '%s' does not exist. Create?", dir))) { GB_ERROR error = GB_create_directory(dir); if (error) aw_message(GBS_global_string("Failed to create directory '%s' (Reason: %s)", dir, error)); } } free(dir); delete [] awar_name; } ./arbsrc_9167/WINDOW/aw_nawar.hxx0000644012664100000130000000157011440743000016472 0ustar arb_buildcoders#ifndef AW_NAWAR_HXX #define AW_NAWAR_HXX /*************************************************************************/ struct AW_var_callback { AW_var_callback( void (*vc_cb)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 , AW_var_callback *next); void (*value_changed_cb)(AW_root*,AW_CL,AW_CL); AW_CL value_changed_cb_cd1; AW_CL value_changed_cb_cd2; AW_var_callback *next; void run_callback(AW_root *root); // runs the whole list in reverse order !!!! }; /*************************************************************************/ struct AW_var_target { AW_var_target( void *pntr, AW_var_target *next); void *pointer; AW_var_target *next; // runs the whole list in reverse order !!!! }; void aw_update_awar_window_geometry(AW_root *awr); #else #error aw_nawar.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_position.cxx0000644012664100000130000000760411440743000017125 0ustar arb_buildcoders// =============================================================== // // // // File : AW_position.cxx // // Purpose : Positions, Vectors and Angles // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #include #define aw_assert(cond) arb_assert(cond) #include "aw_position.hxx" using namespace std; using namespace AW; const Position AW::Origin(0, 0); const Vector AW::ZeroVector(0, 0, 0); const double AW::Angle::rad2deg = 180/M_PI; const double AW::Angle::deg2rad = M_PI/180; void LineVector::standardize() { // make diagonal positive (i.e. make it a Vector which contains width and height of a Rectangle) // this changes the start position to the upper-left corner double dx = ToEnd.x(); double dy = ToEnd.y(); if (dx<0) { if (dy<0) { Start += ToEnd; // lower-right to upper-left ToEnd.rotate180deg(); } else { Start.movex(dx); // upper-right to upper-left ToEnd.negx(); } } else if (dy<0) { Start.movey(dy); // lower-left to upper-left ToEnd.negy(); } } Vector& Vector::rotate45deg() { static double inv_sqrt2 = 1/sqrt(2.0); *this = (*this+Vector(*this).rotate90deg()) * inv_sqrt2; return *this; } void Angle::recalcRadian() const { Radian = atan2(Normal.y(), Normal.x()); } void Angle::recalcNormal() const { Normal = Vector(std::cos(Radian), std::sin(Radian)); aw_assert(Normal.is_normalized()); } // -------------------------------------------------------------------------------- namespace AW { Position crosspoint(const LineVector& l1, const LineVector& l2, double& factor_l1, double& factor_l2) { // calculates the crossing point of the two staight lines defined by l1 and l2. // sets two factors, so that // crosspoint == l1.start()+factor_l1*l1.line_vector(); // crosspoint == l2.start()+factor_l2*l2.line_vector(); // Herleitung: // x1+g*sx = x2+h*tx // y1+g*sy = y2+h*ty // // h = -(x2-sx*g-x1)/tx // h = (y1-y2+sy*g)/ty (h is factor_l2) // // -(x2-sx*g-x1)/tx = (y1-y2+sy*g)/ty // // g = (tx*y1+ty*x2-tx*y2-ty*x1)/(sx*ty-sy*tx) // // g = (tx*(y1-y2)+ty*(x2-x1))/(sx*ty-sy*tx) (g is factor_l1) const Position& p1 = l1.start(); const Position& p2 = l2.start(); const Vector& s = l1.line_vector(); const Vector& t = l2.line_vector(); factor_l1 = ( t.x()*(p1.ypos()-p2.ypos()) + t.y()*(p2.xpos()-p1.xpos()) ) / (s.x()*t.y() - s.y()*t.x()); factor_l2 = (p1.ypos()-p2.ypos()+s.y()*factor_l1) / t.y(); return p1 + factor_l1*s; } double Distance(const AW::Position pos, const AW::LineVector line) { Vector upright(line.line_vector()); upright.rotate90deg(); LineVector pos2line(pos, upright); double f1, f2; Position cross = crosspoint(line, pos2line, f1, f2); double dist; if (f1 >= 0 && f1 <= 1) { // 'cross' is at 'line' dist = Distance(pos, cross); } else if (f1<0) { dist = Distance(pos, line.start()); } else { aw_assert(f1>1); dist = Distance(pos, line.head()); } return dist; } }; ./arbsrc_9167/WINDOW/aw_position.hxx0000644012664100000130000004104411440743000017226 0ustar arb_buildcoders// =============================================================== // // // // File : aw_position.hxx // // Purpose : Positions, Vectors and Angles // // // // Coded by Ralf Westram (coder@reallysoft.de) in July 2007 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // =============================================================== // #ifndef AW_POSITION_HXX #define AW_POSITION_HXX #ifndef _CPP_CMATH #include #endif #ifndef AW_ROOT_HXX #include #endif #ifndef aw_assert #ifndef ARB_ASSERT_H #include #endif #define aw_assert(bed) arb_assert(bed) #endif // ------------------------ // validity checks // ------------------------ #if defined(DEBUG) #define ISVALID(a) aw_assert((a).valid()) #else #define ISVALID(a) #endif // DEBUG namespace AW { const double EPSILON = 0.001; // how equal is nearly equal inline bool nearlyEqual(const double& val1, const double& val2) { return std::abs(val1-val2) < EPSILON; } // ------------------------------------------------------- // class Position represents 2-dimensional positions // ------------------------------------------------------- // Note: orientation of drawn canvases is like shown in this figure: // // __________________\ +x // | / . // | // | // | // | // | // | // \|/ // +y // // i.e. rotating an angle by 90 degrees, means rotating it 3 hours in clockwise direction class Vector; class Position { double x, y; static bool is_between(const double& coord1, const double& between, const double& coord2) { return ((coord1-between)*(between-coord2)) >= 0.0; } public: bool valid() const { return (x == x) && (y == y); } // fails if one is NAN Position(double X, double Y) : x(X), y(Y) { ISVALID(*this); } Position() : x(NAN), y(NAN) {} // default is no position ~Position() {} inline Position& operator += (const Vector& v); inline Position& operator -= (const Vector& v); const double& xpos() const { return x; } const double& ypos() const { return y; } // void set(const double& X, const double& Y) { x = X; y = Y; } void setx(const double& X) { x = X; } void sety(const double& Y) { y = Y; } void movex(const double& X) { x += X; } void movey(const double& Y) { y += Y; } void move(const Vector& movement) { *this += movement; } void moveTo(const Position& pos) { *this = pos; } inline bool is_between(const Position& p1, const Position& p2) const { return is_between(p1.x, x, p2.x) && is_between(p1.y, y, p2.y); } }; extern const Position Origin; // ------------------------------- // a 2D vector // ------------------------------- class Vector { Position end; // endpoint of vector (vector starts at Position::origin) // double x_, y_; mutable double len; // once calculated, length of vector is stored here (negative value means "not calculated") public: bool valid() const { return end.valid() && (len == len); } // len == len fails if len is NAN Vector() : len(NAN) {} // default is not a vector Vector(const double& X, const double& Y) : end(X, Y), len(-1) { ISVALID(*this); } // vector (0,0)->(X,Y) Vector(const double& X, const double& Y, const double& Length) : end(X, Y), len(Length) { ISVALID(*this); } // same with known length explicit Vector(const Position& to) : end(to), len(-1) { ISVALID(*this); } // vector origin->to Vector(const Position& from, const Position& to) : end(to.xpos()-from.xpos(), to.ypos()-from.ypos()), len(-1) { ISVALID(*this); } // vector from->to ~Vector() {} const double& x() const { return end.xpos(); } const double& y() const { return end.ypos(); } const Position& endpoint() { return end; } Vector& set(const double& X, const double& Y, double Length = -1) { end = Position(X, Y); len = Length; return *this; } Vector& setx(const double& X) { end.setx(X); len = -1; return *this; } Vector& sety(const double& Y) { end.sety(Y); len = -1; return *this; } const double& length() const { if (len<0.0) len = sqrt(x()*x() + y()*y()); return len; } // length-modifying members: Vector& operator *= (const double& factor) { return set(x()*factor, y()*factor, len*std::abs(factor)); } Vector& operator /= (const double& divisor) { return operator *= (1.0/divisor); } Vector& operator += (const Vector& other) { return set(x()+other.x(), y()+other.y()); } Vector& operator -= (const Vector& other) { return set(x()-other.x(), y()-other.y()); } Vector& normalize() { aw_assert(length()>0); // cannot normalize zero-Vector! return *this /= length(); } // bool is_normalized() const { return std::abs(length()-1.0) < EPSILON; } bool is_normalized() const { return nearlyEqual(length(), 1); } Vector& set_length(double new_length) { double factor = new_length/length(); return *this *= factor; } // length-constant members: Vector& neg() { end = Position(-x(), -y()); return *this; } Vector& negx() { end.setx(-x()); return *this; } Vector& negy() { end.sety(-y()); return *this; } Vector& flipxy() { end = Position(y(), x()); return *this; } Vector& rotate90deg() { return negy().flipxy(); } Vector& rotate180deg() { return neg(); } Vector& rotate270deg() { return negx().flipxy(); } Vector& rotate45deg(); Vector& rotate135deg() { return rotate45deg().rotate90deg(); } Vector& rotate225deg() { return rotate45deg().rotate180deg(); } Vector& rotate315deg() { return rotate45deg().rotate270deg(); } Vector operator-() const { return Vector(-x(), -y(), len); } // unary minus }; extern const Vector ZeroVector; // ----------------------------------------- // inline Position members // ----------------------------------------- inline Position& Position::operator += (const Vector& v) { x += v.x(); y += v.y(); ISVALID(*this); return *this; } inline Position& Position::operator -= (const Vector& v) { x -= v.x(); y -= v.y(); ISVALID(*this); return *this; } // ------------------------------------------ // basic Position / Vector functions // ------------------------------------------ // Difference between Positions inline Vector operator-(const Position& to, const Position& from) { return Vector(from, to); } // Position +- Vector -> new Position inline Position operator+(const Position& p, const Vector& v) { return Position(p) += v; } inline Position operator+(const Vector& v, const Position& p) { return Position(p) += v; } inline Position operator-(const Position& p, const Vector& v) { return Position(p) -= v; } // Vector addition inline Vector operator+(const Vector& v1, const Vector& v2) { return Vector(v1) += v2; } inline Vector operator-(const Vector& v1, const Vector& v2) { return Vector(v1) -= v2; } // stretch/shrink Vector inline Vector operator*(const Vector& v, const double& f) { return Vector(v) *= f; } inline Vector operator*(const double& f, const Vector& v) { return Vector(v) *= f; } inline Vector operator/(const Vector& v, const double& d) { return Vector(v) /= d; } inline Position centroid(const Position& p1, const Position& p2) { return Position((p1.xpos()+p2.xpos())*0.5, (p1.ypos()+p2.ypos())*0.5); } inline double Distance(const Position& from, const Position& to) { return Vector(from, to).length(); } inline double scalarProduct(const Vector& v1, const Vector& v2) { return v1.x()*v2.x() + v1.y()*v2.y(); } // ------------------------------------------------- // a positioned vector, representing a line // ------------------------------------------------- class LineVector { Position Start; // start point Vector ToEnd; // vector to end point protected: void standardize(); public: bool valid() const { return Start.valid() && ToEnd.valid(); } LineVector(const Position& startpos, const Position& end) : Start(startpos), ToEnd(startpos, end) { ISVALID(*this); } LineVector(const Position& startpos, const Vector& to_end) : Start(startpos), ToEnd(to_end) { ISVALID(*this); } LineVector(double X1, double Y1, double X2, double Y2) : Start(X1, Y1), ToEnd(X2-X1, Y2-Y1) { ISVALID(*this); } LineVector(const AW_rectangle& r) : Start(r.l, r.t), ToEnd(r.r-r.l-1, r.b-r.t-1) { ISVALID(*this); } LineVector() {} const Vector& line_vector() const { return ToEnd; } const Position& start() const { return Start; } Position head() const { return Start+ToEnd; } Position centroid() const { return Start+ToEnd*0.5; } double length() const { return line_vector().length(); } const double& xpos() const { return Start.xpos(); } const double& ypos() const { return Start.ypos(); } void move(const Vector& movement) { Start += movement; } void moveTo(const Position& pos) { Start = pos; } }; Position crosspoint(const LineVector& l1, const LineVector& l2, double& factor_l1, double& factor_l2); double Distance(const Position pos, const LineVector line); // --------------------- // a rectangle // --------------------- class Rectangle : public LineVector { // the LineVector describes one corner and the diagonal public: explicit Rectangle(const LineVector& Diagonal) : LineVector(Diagonal) { standardize(); } Rectangle(const Position& corner, const Position& opposite_corner) : LineVector(corner, opposite_corner) { standardize(); } Rectangle(const Position& corner, const Vector& to_opposite_corner) : LineVector(corner, to_opposite_corner) { standardize(); } Rectangle(double X1, double Y1, double X2, double Y2) : LineVector(X1, Y1, X2, Y2) { standardize(); } Rectangle(const AW_rectangle& r) : LineVector(r) { standardize(); } Rectangle() {}; const Vector& diagonal() const { return line_vector(); } const Position& upper_left_corner() const { return start(); } Position lower_left_corner() const { return Position(start().xpos(), start().ypos()+line_vector().y()); } Position upper_right_corner() const { return Position(start().xpos()+line_vector().x(), start().ypos()); } Position lower_right_corner() const { return head(); } double width() const { return diagonal().x(); } double height() const { return diagonal().y(); } void standardize() { LineVector::standardize(); } bool contains(const Position& pos) const { return pos.is_between(upper_left_corner(), lower_right_corner()); } bool contains(const LineVector& lvec) const { return contains(lvec.start()) && contains(lvec.head()); } }; // ------------------------------------------------------------------ // class angle represents an angle using a normalized vector // ------------------------------------------------------------------ class Angle { mutable Vector Normal; // the normal vector representing the angle (x = cos(angle), y = sin(angle)) mutable double Radian; // the radian of the angle void recalcRadian() const; void recalcNormal() const; public: bool valid() const { return Normal.valid() && (Radian == Radian); } // Radian == Radian fails if Radian is NAN static const double rad2deg; static const double deg2rad; Angle(double Radian_) : Radian(Radian_) { recalcNormal(); ISVALID(*this); } Angle(double x, double y) : Normal(x, y) { Normal.normalize(); recalcRadian(); ISVALID(*this); } explicit Angle(const Vector& v) : Normal(v) { Normal.normalize(); recalcRadian(); ISVALID(*this); } Angle(const Vector& n, double r) : Normal(n), Radian(r) { aw_assert(n.is_normalized()); ISVALID(*this); } Angle(const Position& p1, const Position& p2) : Normal(p1, p2) { Normal.normalize(); recalcRadian(); ISVALID(*this); } Angle() : Radian(NAN) { } // default is not an angle Angle& operator = (const Angle& other) { Normal = other.Normal; Radian = other.Radian; return *this; } Angle& operator = (const Vector& vec) { Normal = vec; Normal.normalize(); recalcRadian(); return *this; } void fixRadian() const { // force radian into range [0, 2*M_PI[ while (Radian<0.0) Radian += 2*M_PI; while (Radian >= 2*M_PI) Radian -= 2*M_PI; } const double& radian() const { fixRadian(); return Radian; } double degrees() const { fixRadian(); return rad2deg*Radian; } const Vector& normal() const { return Normal; } const double& sin() const { return Normal.y(); } const double& cos() const { return Normal.x(); } Angle& operator += (const Angle& o) { Radian += o.Radian; double norm = normal().length()*o.normal().length(); if (nearlyEqual(norm, 1)) { // fast method Vector newNormal(cos()*o.cos() - sin()*o.sin(), sin()*o.cos() + cos()*o.sin()); aw_assert(newNormal.is_normalized()); Normal = newNormal; } else { recalcNormal(); } return *this; } Angle& operator -= (const Angle& o) { Radian -= o.Radian; double norm = normal().length()*o.normal().length(); if (nearlyEqual(norm, 1)) { // fast method Vector newNormal(cos()*o.cos() + sin()*o.sin(), sin()*o.cos() - cos()*o.sin()); aw_assert(newNormal.is_normalized()); Normal = newNormal; } else { recalcNormal(); } return *this; } Angle& operator *= (const double& fact) { fixRadian(); Radian *= fact; recalcNormal(); return *this; } Angle& rotate90deg() { Normal.rotate90deg(); Radian += 0.5*M_PI; return *this; } Angle& rotate180deg() { Normal.rotate180deg(); Radian += M_PI; return *this; } Angle& rotate270deg() { Normal.rotate270deg(); Radian += 1.5*M_PI; return *this; } Angle operator-() const { return Angle(Vector(Normal).negy(), 2*M_PI-Radian); } // unary minus }; inline Angle operator+(const Angle& a1, const Angle& a2) { return Angle(a1) += a2; } inline Angle operator-(const Angle& a1, const Angle& a2) { return Angle(a1) -= a2; } inline Angle operator*(const Angle& a, const double& fact) { return Angle(a) *= fact; } inline Angle operator/(const Angle& a, const double& divi) { return Angle(a) *= (1.0/divi); } // --------------------- // some helpers // --------------------- // pythagoras: inline double hypotenuse(double cath1, double cath2) { return sqrt(cath1*cath1 + cath2*cath2); } inline double cathetus(double hypotenuse, double cathetus) { aw_assert(hypotenuse>cathetus); return sqrt(hypotenuse*hypotenuse - cathetus*cathetus); } #if defined(DEBUG) // dont use these in release code - they are only approximizations! // test whether two doubles are "equal" (slow - use for assertions only!) inline bool are_equal(const double& d1, const double& d2) { double diff = std::abs(d1-d2); return diff < 0.000001; } inline bool are_orthographic(const Vector& v1, const Vector& v2) { return are_equal(scalarProduct(v1, v2), 0); } #endif // DEBUG inline bool isOrigin(const Position& p) { return p.xpos() == 0 && p.ypos() == 0; } }; #else #error aw_position.hxx included twice #endif // AW_POSITION_HXX ./arbsrc_9167/WINDOW/AW_preset.cxx0000644012664100000130000012010111440743000016547 0ustar arb_buildcoders // ---------------------------------------------------- // This file is located in WINDOW/AW_preset.cxx // (AWT/AWT_preset.cxx is just a link) // ---------------------------------------------------- #ifndef IN_ARB_AWT #ifndef IN_ARB_WINDOW #error MODULE_... is not known #endif #endif #include #include #include #include #include #include #include #include // PJ vectorfont stuff: //#include //#include #include "awt.hxx" #include "awt_advice.hxx" #include #include #include #include "aw_preset.hxx" #include "aw_def.hxx" #ifdef IN_ARB_WINDOW void AW_save_defaults( AW_window *aw ) { aw->get_root()->save_default( "window/font" ); } void AW_save_specific_defaults( AW_window *aw, const char *filename) { // special version for EDIT4 aw->get_root()->save_default( "window/font", filename); } void aw_message_reload(AW_root *){ aw_message( "Sorry, to activate new colors:\n" " save properties\n" " and restart application"); } char *aw_glob_font_awar_name = 0; static void aw_set_color(AW_window *aww, AW_CL cl_color_name){ const char *color_name = (const char *)cl_color_name; aww->get_root()->awar(aw_glob_font_awar_name)->write_string(color_name); } // -------------------------------------------------------------------------------- // static int hex2dez(char c) // -------------------------------------------------------------------------------- static int hex2dez(char c) { if (c>='0' && c<='9') return c-'0'; if (c>='A' && c<='F') return c-'A'+10; if (c>='a' && c<='f') return c-'a'+10; return -1; } // -------------------------------------------------------------------------------- // void aw_incdec_color(AW_window *aww,const char *action) // -------------------------------------------------------------------------------- void aw_incdec_color(AW_window *aww,const char *action){ // action is sth like "r+" "b-" "g++" "r--" AW_awar *awar = aww->get_root()->awar(aw_glob_font_awar_name); char *color = awar->read_string(); bool err = true; fprintf(stderr, "current color is '%s'\n", color); if (color[0]=='#') { int len = strlen(color); if (len==4 || len==7) { len = (len-1)/3; // len of one color channel (1 or 2) gb_assert(len==1 || len==2); int diff = action[2]==action[1] ? 7 : 1; int channel[3]; for (int c=0; c<3; ++c) { if (len==2) channel[c] = hex2dez(color[c*len+1])*16+hex2dez(color[c*len+2]); else channel[c] = hex2dez(color[c*len+1])*16; } int rgb; for (rgb=0; rgb<3;++rgb) { if (action[0]=="rgb"[rgb] || action[0]=='a') { if (action[1]=='+') { channel[rgb] += diff; if (channel[rgb]>255) channel[rgb]=255; } else { channel[rgb] -= diff; if (channel[rgb]<0) channel[rgb]=0; } } } sprintf(color, "#%2.2X%2.2X%2.2X", channel[0], channel[1], channel[2]); err = false; awar->write_string(color); } } if (err) { aw_message("Only color values in #rgb- or #rrggbb-style \n" "can be modified by these buttons. \n" "Choose a color below and try again."); } } #define AWAR_GLOBAL_COLOR_NAME "tmp/aw/color_label" void aw_create_color_chooser_window(AW_window *aww, const char *awar_name,const char *label_name){ AW_root *awr = aww->get_root(); static AW_window_simple *aws = 0; if (!aws){ int x1, y1, x2, y2; awr->awar_string(AWAR_GLOBAL_COLOR_NAME); aws = new AW_window_simple; aws->init(awr, "COLORS", "COLORS"); aws->at(10, 10); aws->auto_space(3, 3); aws->callback ( AW_POPDOWN ); aws->create_button( "CLOSE","CLOSE", "C" ); aws->get_at_position(&x1, &y1); aws->at_newline(); aws->button_length(20); aws->create_button( "LABEL",AWAR_GLOBAL_COLOR_NAME, "A" ); aws->get_at_position(&x2, &y2); aws->at_newline(); x1 = x1>x2 ? x1 : x2; int red,green,blue,grey; for (int minus = 0; minus<=1; ++minus) { aws->at(x1, minus==0 ? y1 : y2); for (int rgb=0; rgb<4; ++rgb) { for (int big=0; big<=1; ++big) { aws->button_length(2+big); char action[4] = "xxx"; action[0] = "rgba"[rgb]; action[1] = "+-"[minus]; action[2] = big ? action[1] : 0; char color_name[10]; sprintf(color_name, "#%2.2X%2.2X%2.2X", rgb==0 ? 0xff : 0x55, rgb==1 ? 0xff : 0x55, rgb==2 ? 0xff : 0x55); aws->callback((AW_CB1)aw_incdec_color, (AW_CL)strdup(action)); aws->create_button(action, action+1,0,color_name); } } } aws->button_length(2); aws->at_newline(); for (red = 0; red <= 255; red += 255/3){ for (green = 0; green <= 255; green += 255/3){ for (blue = 0; blue <= 255; blue += 255/3){ char color_name[256]; sprintf(color_name,"#%2.2X%2.2X%2.2X", red, green,blue); aws->callback((AW_CB1)aw_set_color,(AW_CL)strdup(color_name)); aws->create_button(color_name,"=",0,color_name); } } aws->at_newline(); } for (grey = 256/32; grey < 256; grey += 256/16){ // grey buttons (skip black/white - already present above) char color_name[256]; sprintf(color_name,"#%2.2X%2.2X%2.2X", grey, grey, grey); aws->callback(aw_set_color,(AW_CL)strdup(color_name)); aws->create_button(color_name,"=",0,color_name); } aws->at_newline(); aws->window_fit(); } awr->awar(AWAR_GLOBAL_COLOR_NAME)->write_string(label_name); freedup(aw_glob_font_awar_name, awar_name); aws->activate(); } void AW_preset_create_color_chooser(AW_window *aws, const char *awar_name, const char *label,bool message_reload, bool show_label) { if (message_reload) aws->get_root()->awar(awar_name)->add_callback(aw_message_reload); if (show_label) { aw_assert(label); aws->label(label); } aws->callback((AW_CB)aw_create_color_chooser_window,(AW_CL)strdup(awar_name),(AW_CL)strdup(label)); char *color = aws->get_root()->awar(awar_name)->read_string(); char *button_id = GBS_global_string_copy("sel_color[%s]", awar_name); aws->create_button(button_id, " ", 0, color); free(button_id); free(color); } void AW_preset_create_font_chooser(AW_window *aws, const char *awar, const char *label,bool message_reload) { if (message_reload){ aws->get_root()->awar(awar)->add_callback(aw_message_reload); } aws->create_option_menu( awar, label ); aws->insert_option ( "5x8", "5", "5x8" ); aws->insert_option ( "6x10", "6", "6x10" ); aws->insert_option ( "7x13", "7", "7x13" ); aws->insert_option ( "7x13bold", "7", "7x13bold" ); aws->insert_option ( "8x13", "8", "8x13" ); aws->insert_option ( "8x13bold", "8", "8x13bold" ); aws->insert_option ( "9x15", "9", "9x15" ); aws->insert_option ( "9x15bold", "9", "9x15bold" ); aws->insert_option ( "helvetica-12", "9", "helvetica-12" ); aws->insert_option ( "helvetica-bold-12", "9", "helvetica-bold-12" ); aws->insert_option ( "helvetica-13", "9", "helvetica-13" ); aws->insert_option ( "helvetica-bold-13", "9", "helvetica-bold-13" ); aws->insert_default_option( "other", "o", "" ); aws->update_option_menu(); } //PJ - vectorfont stuff - user may set a factor for global scaling void AW_preset_create_scale_chooser(AW_window *aws, char *awar, char *label) { char buffer[2]; buffer[0] = label[0]; buffer[1] = 0; aws->create_option_menu( awar, label, buffer ); aws->insert_option ( "0.5", " ", (float) 0.5); aws->insert_option ( "0.8", "0", (float) 0.8); aws->insert_option ( "1.0", "1", (float) 1.0); aws->insert_default_option( "other", "o", (float) 1.0 ); aws->update_option_menu(); } struct AW_MGC_awar_cb_struct; class aw_gc_manager { const char *field; const char *default_value; AW_option_menu_struct *font_size_handle; // the option menu to define the font size of the GC AW_MGC_awar_cb_struct *font_change_cb_parameter; aw_gc_manager *next; public: aw_gc_manager(const char *field_, const char *default_value_) : field(field_) , default_value(default_value_) , font_size_handle(0) , next(0) {} void enqueue(aw_gc_manager *next_) { aw_assert(!next); next = next_; } const char *get_field() const { return field; } const char *get_default_value() const { return default_value; } const aw_gc_manager *get_next() const { return next; } aw_gc_manager *get_next() { return next; } void set_font_size_handle(AW_option_menu_struct *oms) { font_size_handle = oms; } AW_option_menu_struct *get_font_size_handle() const { return font_size_handle; } void set_font_change_parameter(AW_MGC_awar_cb_struct *cb_data) { font_change_cb_parameter = cb_data; } AW_MGC_awar_cb_struct *get_font_change_parameter() const { return font_change_cb_parameter; } }; struct AW_MGC_cb_struct { // one for each window AW_MGC_cb_struct(AW_window *awi, void (*g)(AW_window*,AW_CL ,AW_CL), AW_CL cd1i, AW_CL cd2i); AW_window *aw; void (*f)(AW_window*,AW_CL ,AW_CL); AW_CL cd1; AW_CL cd2; char *window_awar_name; AW_device *device; struct AW_MGC_awar_cb_struct *next_drag; }; AW_MGC_cb_struct::AW_MGC_cb_struct( AW_window *awi, void (*g)(AW_window*,AW_CL,AW_CL), AW_CL cd1i, AW_CL cd2i ) { memset((char*)this,0,sizeof(AW_MGC_cb_struct)); aw = awi; f = g; cd1 = cd1i; cd2 = cd2i; window_awar_name = strdup(awi->get_window_id()); } struct AW_MGC_awar_cb_struct { // one for each awar struct AW_MGC_cb_struct *cbs; const char *fontbasename; const char *colorbasename; short gc; short gc_drag; short colorindex; aw_gc_manager *gcmgr; AW_window *gc_def_window; struct AW_MGC_awar_cb_struct *next; }; static void add_font_sizes_to_option_menu(AW_window *aww, int count, int *available_sizes) { char ssize[20]; bool default_size_set = false; for (int idx = 0; idx < count; ++idx) { int size = available_sizes[idx]; if (!default_size_set && size > DEF_FONTSIZE) { // insert default size if missing sprintf(ssize, "%i", DEF_FONTSIZE); aww->insert_default_option(ssize, 0, (int) DEF_FONTSIZE); default_size_set = true; } sprintf(ssize, "%i", size); if (size == DEF_FONTSIZE) { aww->insert_default_option(ssize, 0, (int) size); default_size_set = true; } else { aww->insert_option(ssize, 0, (int) size); } } if (!default_size_set) { sprintf(ssize, "%i", DEF_FONTSIZE); aww->insert_default_option(ssize, 0, (int) DEF_FONTSIZE); } aww->update_option_menu(); } static void aw_init_font_sizes(AW_root *awr, AW_MGC_awar_cb_struct *cbs, bool firstCall) { AW_option_menu_struct *oms = cbs->gcmgr->get_font_size_handle(); aw_assert(oms); if (oms) { // has font size definition int available_sizes[MAX_FONTSIZE-MIN_FONTSIZE+1]; char awar_name[256]; sprintf(awar_name,AWP_FONTNAME_TEMPLATE,cbs->cbs->window_awar_name,cbs->fontbasename); int font_nr = awr->awar(awar_name)->read_int(); int found_sizes = cbs->cbs->device->get_available_fontsizes(cbs->gc, font_nr, available_sizes); AW_window *aww = cbs->gc_def_window; aw_assert(aww); if (!firstCall) aww->clear_option_menu(oms); add_font_sizes_to_option_menu(aww, found_sizes, available_sizes); } } static void aw_font_changed_cb(AW_root *awr, AW_CL cl_cbs) { AW_MGC_awar_cb_struct *cbs = (AW_MGC_awar_cb_struct*)cl_cbs; aw_init_font_sizes(awr, cbs, false); } static void aw_gc_changed_cb(AW_root *awr,AW_MGC_awar_cb_struct *cbs, long mode) { static int dont_recurse = 0; if (dont_recurse == 0) { ++dont_recurse; // mode == -1 -> no callback char awar_name[256]; int font; int size; sprintf(awar_name,AWP_FONTNAME_TEMPLATE,cbs->cbs->window_awar_name,cbs->fontbasename); font = awr->awar(awar_name)->read_int(); sprintf(awar_name,AWP_FONTSIZE_TEMPLATE,cbs->cbs->window_awar_name,cbs->fontbasename); AW_awar *awar_font_size = awr->awar(awar_name); size = awar_font_size->read_int(); int found_font_size; cbs->cbs->device->set_font(cbs->gc, font, size, &found_font_size); cbs->cbs->device->set_font(cbs->gc_drag, font, size, 0); if (found_font_size != -1 && found_font_size != size) { // correct awar value if exact fontsize wasn't found awar_font_size->write_int(found_font_size); } if (mode != -1) { cbs->cbs->f(cbs->cbs->aw, cbs->cbs->cd1, cbs->cbs->cd2); } --dont_recurse; } } void aw_gc_color_changed_cb(AW_root *root,AW_MGC_awar_cb_struct *cbs, long mode) { char awar_name[256]; char *colorname; sprintf(awar_name,AWP_COLORNAME_TEMPLATE,cbs->cbs->window_awar_name,cbs->colorbasename); colorname = root->awar(awar_name)->read_string(); AW_color color = (AW_color)cbs->colorindex; cbs->cbs->aw->alloc_named_data_color(color,colorname); if (color != AW_DATA_BG) { cbs->cbs->device->set_foreground_color(cbs->gc,color); cbs->cbs->device->set_foreground_color(cbs->gc_drag,color); }else{ struct AW_MGC_awar_cb_struct *acbs; for (acbs = cbs->cbs->next_drag; acbs; acbs=acbs->next){ cbs->cbs->device->set_foreground_color(acbs->gc_drag,(AW_color)acbs->colorindex); } } if (mode != -1) { cbs->cbs->f(cbs->cbs->aw,cbs->cbs->cd1,cbs->cbs->cd2); } free(colorname); } static bool color_groups_initialized = false; static bool use_color_groups = false; const char *AW_get_color_group_name_awarname(int color_group) { if (color_group>0 && color_group <= AW_COLOR_GROUPS) { static char buf[sizeof(AWAR_COLOR_GROUPS_PREFIX)+1+4+2+1]; sprintf(buf, AWAR_COLOR_GROUPS_PREFIX "/name%i", color_group); return buf; } return 0; } char *AW_get_color_group_name(AW_root *awr, int color_group) { aw_assert(color_groups_initialized); aw_assert(color_group>0 && color_group <= AW_COLOR_GROUPS); return awr->awar(AW_get_color_group_name_awarname(color_group))->read_string(); } void AW_color_group_name_changed_cb(AW_root *) { AWT_advice("To activate the new names for color groups you have to\n" "save properties and restart the program.", AWT_ADVICE_TOGGLE, "Color group name has been changed", 0); } void AW_color_group_usage_changed_cb(AW_root *awr, AW_CL /*cl_ntw*/) { use_color_groups = awr->awar(AWAR_COLOR_GROUPS_USE)->read_int(); // AWT_canvas *ntw = (AWT_canvas*)cl_ntw; // ntw->refresh(); // @@@ FIXME: a working refresh is missing } void AW_init_color_groups(AW_root *awr, AW_default def) { if (!color_groups_initialized) { AW_awar *useAwar = awr->awar_int(AWAR_COLOR_GROUPS_USE, 1, def); use_color_groups = useAwar->read_int(); useAwar->add_callback(AW_color_group_usage_changed_cb, (AW_CL)0); char name_buf[AW_COLOR_GROUP_NAME_LEN+1]; for (int i = 1; i <= AW_COLOR_GROUPS; ++i) { sprintf(name_buf, "color_group_%i", i); awr->awar_string(AW_get_color_group_name_awarname(i), name_buf, def)->add_callback(AW_color_group_name_changed_cb); } color_groups_initialized = true; } } // values optimized for ARB_NTREE : static const char *ARB_NTREE_color_group[AW_COLOR_GROUPS+1] = { "+-" AW_COLOR_GROUP_PREFIX "1$#D50000", "-" AW_COLOR_GROUP_PREFIX "2$#00ffff", "+-" AW_COLOR_GROUP_PREFIX "3$#00FF77", "-" AW_COLOR_GROUP_PREFIX "4$#c700c7", "+-" AW_COLOR_GROUP_PREFIX "5$#0000ff", "-" AW_COLOR_GROUP_PREFIX "6$#FFCE5B", "+-" AW_COLOR_GROUP_PREFIX "7$#AB2323", "-" AW_COLOR_GROUP_PREFIX "8$#008888", "+-" AW_COLOR_GROUP_PREFIX "9$#008800", "-" AW_COLOR_GROUP_PREFIX "10$#880088", "+-" AW_COLOR_GROUP_PREFIX "11$#000088", "-" AW_COLOR_GROUP_PREFIX "12$#888800", 0 }; // values optimized for ARB_EDIT4 : static const char *ARB_EDIT4_color_group[AW_COLOR_GROUPS+1] = { "+-" AW_COLOR_GROUP_PREFIX "1$#FFAFAF", "-" AW_COLOR_GROUP_PREFIX "2$#A1FFFF", "+-" AW_COLOR_GROUP_PREFIX "3$#AAFFAA", "-" AW_COLOR_GROUP_PREFIX "4$#c700c7", "+-" AW_COLOR_GROUP_PREFIX "5$#C5C5FF", "-" AW_COLOR_GROUP_PREFIX "6$#FFE370", "+-" AW_COLOR_GROUP_PREFIX "7$#F87070", "-" AW_COLOR_GROUP_PREFIX "8$#DAFFFF", "+-" AW_COLOR_GROUP_PREFIX "9$#8DE28D", "-" AW_COLOR_GROUP_PREFIX "10$#880088", "+-" AW_COLOR_GROUP_PREFIX "11$#000088", "-" AW_COLOR_GROUP_PREFIX "12$#F1F169", 0 }; static const char **color_group_gc_defaults = 0; void AW_init_color_group_defaults(const char *for_program) { // if for_program == NULL defaults of arb_ntree are silently used // if for_program is unknown a warning is shown aw_assert(color_group_gc_defaults == 0); // oops - called twice if (for_program) { if (strcmp(for_program, "arb_ntree") == 0) color_group_gc_defaults = ARB_NTREE_color_group; else if (strcmp(for_program, "arb_edit4") == 0) color_group_gc_defaults = ARB_EDIT4_color_group; } if (!color_group_gc_defaults) { if (for_program) { // unknown program ? #if defined(DEBUG) fprintf(stderr, "No specific defaults for color groups defined (using those from ARB_NTREE)\n"); #endif // DEBUG } color_group_gc_defaults = ARB_NTREE_color_group; } aw_assert(color_group_gc_defaults); } long AW_find_color_group(GBDATA *gbd, bool ignore_usage_flag) { /* species/genes etc. may have a color group entry ('ARB_color') * call with ignore_usage_flag == true to read color group regardless of global usage flag (AWAR_COLOR_GROUPS_USE) */ aw_assert(color_groups_initialized); if (!use_color_groups && !ignore_usage_flag) return 0; GBDATA *gb_group = GB_entry(gbd, AW_COLOR_GROUP_ENTRY); if (gb_group) return GB_read_int(gb_group); return 0; /* no color group */ } GB_ERROR AW_set_color_group(GBDATA *gbd, long color_group) { return GBT_write_int(gbd, AW_COLOR_GROUP_ENTRY, color_group); } AW_gc_manager AW_manage_GC(AW_window *aww, AW_device *device, int base_gc, int base_drag, AW_GCM_AREA area, void (*changecb)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2, bool define_color_groups, const char *default_background_color, ...) { /* * Parameter: aww: base window * device: screen device * base_gc: first gc number * base_drag: one after last gc * area: middle,top ... * changecb: cb if changed * cd1,cd2: free Parameters to changecb * define_color_groups: true -> add colors for color groups * * ...: NULL terminated list of \0 terminated strings: * * first GC is fixed: '-background' * * optionsSTRING name of GC and AWAR * options: # fixed fonts only * - no fonts * -- completely hide GC * = no color selector * + append next in same line * * $color at end of string = > define default color value * ${GCname} at end of string = > use default of previously defined color */ AW_root *aw_root = aww->get_root(); AW_default aw_def = AW_ROOT_DEFAULT; AW_init_color_groups(aw_root, aw_def); const char *id; va_list parg; va_start(parg,default_background_color); AW_font def_font; struct aw_gc_manager *gcmgrlast = 0,*gcmgr2=0,*gcmgrfirst=0; AW_MGC_cb_struct *mcbs = new AW_MGC_cb_struct(aww,changecb,cd1,cd2); mcbs->device = device; int col = AW_WINDOW_BG; if (area == AW_GCM_DATA_AREA) { col = AW_DATA_BG; } bool first = true; aww->main_drag_gc = base_drag; gcmgrfirst = gcmgrlast = new aw_gc_manager(mcbs->window_awar_name, 0); const char *old_font_base_name = "default"; char background[50]; gb_assert(default_background_color[0]); sprintf(background, "-background$%s", default_background_color); for (int loop = 1; loop <= 2; ++loop) { int color_group_counter = 0; if (loop == 1) { // set default colors id = background; } else { // set color_group colors id = 0; if (define_color_groups) { aw_assert(color_group_gc_defaults); // forgot to call AW_init_color_group_defaults ? id = color_group_gc_defaults[color_group_counter++]; } } while (id) { bool flag_fixed_fonts_only = false; bool flag_no_color_selector = false; bool flag_append_in_same_line = false; bool flag_no_fonts = false; AW_MGC_awar_cb_struct *acbs = 0; { char *id_copy = strdup(id); const char *default_color = 0; { char *color = strchr(id_copy, '$'); // search color def if (color) { *color++ = 0; if (color[0] == '{') { char *close = strchr(color+1, '}'); aw_assert(close); // format is '${KNOWN_GC}' aw_assert(close[1] == 0); // unexpected chars behind if (close) { close[0] = 0; color++; aw_gc_manager *known = gcmgrfirst; aw_assert(known); while (known) { if (strcmp(known->get_field(), color) == 0) { // found referred gc default_color = known->get_default_value(); // use it's default color break; } known = known->get_next(); } aw_assert(known); // referred to unknown {GC} } } else { default_color = color; } } } if (!default_color) default_color = first ? "white" : "black"; gcmgr2 = new aw_gc_manager(strdup(id_copy), strdup(default_color)); gcmgrlast->enqueue(gcmgr2); gcmgrlast = gcmgr2; acbs = new AW_MGC_awar_cb_struct; acbs->cbs = mcbs; acbs->colorbasename = GBS_string_2_key(id_copy); acbs->gc = base_gc; acbs->gc_drag = base_drag; acbs->gcmgr = gcmgr2; acbs->gc_def_window = 0; if (!first) { acbs->next = mcbs->next_drag; mcbs->next_drag = acbs; } int offset = 0; while (1){ switch( id_copy[offset] ){ case '#': flag_fixed_fonts_only= true; offset++; continue; case '=': flag_no_color_selector= true; offset++; continue; case '+': flag_append_in_same_line= true; offset++; continue; case '-': flag_no_fonts= true; offset++; continue; default: break; } break; } freeset(id_copy, 0); } if (flag_fixed_fonts_only) def_font = AW_DEFAULT_FIXED_FONT; // AW_LUCIDA_SANS_TYPEWRITER; else def_font = AW_DEFAULT_NORMAL_FONT; // AW_LUCIDA_SANS; if ((area != AW_GCM_DATA_AREA) || !first) { device->new_gc(base_gc); device->set_line_attributes(base_gc,0.0,AW_SOLID); device->set_function(base_gc,AW_COPY); device->new_gc(base_drag); device->set_line_attributes(base_drag,0.0,AW_SOLID); device->set_function(base_drag,AW_XOR); } char awar_name[256]; memset(awar_name,0,256); sprintf(awar_name,AWP_COLORNAME_TEMPLATE,mcbs->window_awar_name,acbs->colorbasename); acbs->colorindex = col; aw_root->awar_string(awar_name, gcmgr2->get_default_value(), aw_def); aw_root->awar(awar_name)->add_callback( (AW_RCB)aw_gc_color_changed_cb,(AW_CL)acbs,(AW_CL)0); aw_gc_color_changed_cb(aw_root,acbs,-1); if (flag_no_fonts) acbs->fontbasename = old_font_base_name; else old_font_base_name = acbs->fontbasename = acbs->colorbasename; { sprintf(awar_name,AWP_FONTNAME_TEMPLATE,mcbs->window_awar_name,acbs->fontbasename); AW_awar *font_awar = aw_root->awar_int(awar_name,def_font,aw_def); sprintf(awar_name,AWP_FONTSIZE_TEMPLATE, mcbs->window_awar_name,acbs->fontbasename); AW_awar *font_size_awar = aw_root->awar_int(awar_name,DEF_FONTSIZE,aw_def); if (!flag_no_fonts) { font_awar->add_callback(aw_font_changed_cb, (AW_CL)acbs); gcmgr2->set_font_change_parameter(acbs); } font_awar->add_callback((AW_RCB)aw_gc_changed_cb,(AW_CL)acbs,(AW_CL)0); font_size_awar->add_callback((AW_RCB)aw_gc_changed_cb,(AW_CL)acbs,(AW_CL)0); } if (!first) { aw_gc_changed_cb(aw_root,acbs,-1); base_gc++; base_drag++; } col++; first = false; // switch to next default: if (loop == 1) id = va_arg(parg, char*); else { aw_assert(color_group_gc_defaults); // forgot to call AW_init_color_group_defaults ? id = color_group_gc_defaults[color_group_counter++]; } } } va_end(parg); return (AW_gc_manager)gcmgrfirst; } void AW_copy_GCs(AW_root *aw_root, const char *source_window, const char *dest_window, bool has_font_info, const char *id0, ...) { // read the values of the specified GCs from 'source_window' // and write the values into same-named GCs of 'dest_window' // // 'id0' is the first of a list of color ids // a NULL pointer has to be given behind the last color! va_list parg; va_start(parg, id0); const char *id = id0; while (id) { char *value = aw_root->awar(GBS_global_string(AWP_COLORNAME_TEMPLATE, source_window, id))->read_string(); aw_root->awar(GBS_global_string(AWP_COLORNAME_TEMPLATE, dest_window, id))->write_string(value); free(value); if (has_font_info) { int ivalue = aw_root->awar(GBS_global_string(AWP_FONTNAME_TEMPLATE, source_window, id))->read_int(); aw_root->awar(GBS_global_string(AWP_FONTNAME_TEMPLATE, dest_window, id))->write_int(ivalue); ivalue = aw_root->awar(GBS_global_string(AWP_FONTSIZE_TEMPLATE, source_window, id))->read_int(); aw_root->awar(GBS_global_string(AWP_FONTSIZE_TEMPLATE, dest_window, id))->write_int(ivalue); } id = va_arg(parg, const char*); // another argument ? } va_end(parg); } static bool aw_insert_gcs(AW_root *aw_root, AW_window_simple *aws, aw_gc_manager *gcmgr, bool insert_color_groups) { // returns true if GCs starting with COLOR_GROUP_PREFIX were found bool has_color_groups = false; const char *window_awar_name = gcmgr->get_field(); bool first = true; for (gcmgr = gcmgr->get_next(); gcmgr; gcmgr = gcmgr->get_next()) { const char *id = gcmgr->get_field(); bool flag_fixed_fonts_only = false; bool flag_no_color_selector = false; bool flag_append_in_same_line = false; bool flag_no_fonts = false; bool flag_hide_this_gc = false; while (1){ switch( id[0] ){ case '#': flag_fixed_fonts_only= true; id++; continue; case '=': flag_no_color_selector= true; id++; continue; case '+': flag_append_in_same_line= true; id++; continue; case '-': { if (flag_no_fonts) flag_hide_this_gc = true; // if gc definition contains -- the gc is completely hidden else flag_no_fonts = true; id++; continue; } default: break; } break; } char *fontbasename = GBS_string_2_key(id); char awar_name[256]; bool is_color_group = strncmp(id, AW_COLOR_GROUP_PREFIX, AW_COLOR_GROUP_PREFIX_LEN) == 0; int color_group = -1; if (is_color_group) { has_color_groups = true; color_group = atoi(id+AW_COLOR_GROUP_PREFIX_LEN); if (!insert_color_groups) continue; } else { // is no color group if (insert_color_groups) continue; } if (!flag_hide_this_gc) { sprintf(awar_name, AWP_COLORNAME_TEMPLATE, window_awar_name, fontbasename); aws->label_length(15); if (is_color_group) { aw_assert(color_group > 0); char *color_group_name = AW_get_color_group_name(aw_root, color_group); aws->label(color_group_name); free(color_group_name); } else { aws->label(id); } if (!flag_no_color_selector){ aws->button_length(5); AW_preset_create_color_chooser(aws, awar_name, id); } aws->create_input_field(awar_name, 7); if (!flag_no_fonts) { sprintf(awar_name, AWP_FONTNAME_TEMPLATE, window_awar_name, fontbasename); aws->label_length(5); aws->create_option_menu(awar_name, "Font", 0); { int font_nr; const char *font_string; for (font_nr = 0;; font_nr++) { font_string = aw_root->font_2_ascii((AW_font) font_nr); if (!font_string) break; if (flag_fixed_fonts_only && aw_root->font_2_xfig((AW_font) font_nr) >= 0) continue; aws->insert_option(font_string, 0, (int) font_nr); } aws->update_option_menu(); } sprintf(awar_name, AWP_FONTSIZE_TEMPLATE,window_awar_name, fontbasename); aws->label_length(5); AW_option_menu_struct *oms = aws->create_option_menu(awar_name, "size", 0); gcmgr->set_font_size_handle(oms); AW_MGC_awar_cb_struct *acs = gcmgr->get_font_change_parameter(); acs->gc_def_window = aws; aw_init_font_sizes(aw_root, acs, true); // does update_option_menu } if (!flag_append_in_same_line) aws->at_newline(); } first = false; free(fontbasename); } return has_color_groups; } struct attached_window { AW_window_simple *aws; AW_CL attached_to; struct attached_window *next; }; void AW_create_gc_color_groups_name_window(AW_window */*aww*/, AW_CL cl_aw_root, AW_CL cl_gcmgr) { AW_root *aw_root = (AW_root*)cl_aw_root; // aw_gc_manager *gcmgr = (aw_gc_manager*)cl_gcmgr; static struct attached_window *head = 0; // search for attached window: struct attached_window *look = head; while (look) { if (look->attached_to == cl_gcmgr) break; look = look->next; } AW_window_simple *aws = 0; if (look) { aws = look->aws; } else { look = new struct attached_window; look->aws = new AW_window_simple; look->attached_to = cl_gcmgr; look->next = head; head = look; aws = look->aws; aws->init(aw_root, "NAME_COLOR_GROUPS", "COLORS GROUP NAMES"); aws->at(10, 10); aws->auto_space(5, 5); aws->callback((AW_CB0) AW_POPDOWN); aws->create_button("CLOSE","CLOSE", "C"); for (int i = 1; i <= AW_COLOR_GROUPS; ++i) { aws->at_newline(); aws->label(GBS_global_string("Name for color group #%i%s", i, (i >= 10) ? "" : " ")); aws->create_input_field(AW_get_color_group_name_awarname(i), AW_COLOR_GROUP_NAME_LEN); } aws->window_fit(); } aws->activate(); } // ------------------------------------------------------------------------------------------------ // void AW_create_gc_color_groups_window(AW_window *aww, AW_CL cl_aw_root, AW_CL cl_gcmgr) // ------------------------------------------------------------------------------------------------ void AW_create_gc_color_groups_window(AW_window */*aww*/, AW_CL cl_aw_root, AW_CL cl_gcmgr) { aw_assert(color_groups_initialized); AW_root *aw_root = (AW_root*)cl_aw_root; aw_gc_manager *gcmgr = (aw_gc_manager*)cl_gcmgr; static struct attached_window *head = 0; // search for attached window: struct attached_window *look = head; while (look) { if (look->attached_to == cl_gcmgr) break; look = look->next; } AW_window_simple *aws = 0; if (look) { aws = look->aws; } else { look = new struct attached_window; look->aws = new AW_window_simple; look->attached_to = cl_gcmgr; look->next = head; head = look; aws = look->aws; aws->init(aw_root, "PROPS_COLOR_GROUPS", "COLORS GROUPS"); aws->at(10, 10); aws->auto_space(5, 5); aws->callback((AW_CB0) AW_POPDOWN); aws->create_button("CLOSE","CLOSE", "C"); aws->callback(AW_POPUP_HELP,(AW_CL)"color_props_groups.hlp"); aws->create_button("HELP","HELP", "H"); aws->at_newline(); aw_insert_gcs(aw_root, aws, gcmgr, true); aws->at_newline(); aws->label_length(16); aws->label("Use color groups"); aws->create_toggle(AWAR_COLOR_GROUPS_USE); aws->callback((AW_CB)AW_create_gc_color_groups_name_window, (AW_CL)aw_root, cl_gcmgr); aws->create_autosize_button("DEF_NAMES", "Define names", "D"); aws->window_fit(); } aws->activate(); } AW_window *AW_create_gc_window_named(AW_root * aw_root, AW_gc_manager id_par, const char *wid, const char *windowname) { AW_window_simple * aws = new AW_window_simple; aws->init(aw_root, wid, windowname); aw_gc_manager *gcmgr = (aw_gc_manager *)id_par; aws->at(10, 10); aws->auto_space(5, 5); aws->callback((AW_CB0) AW_POPDOWN); aws->create_button("CLOSE","CLOSE", "C"); aws->callback(AW_POPUP_HELP,(AW_CL)"color_props.hlp"); aws->create_button("HELP","HELP", "H"); aws->at_newline(); bool has_color_groups = aw_insert_gcs(aw_root, aws, gcmgr, false); if (has_color_groups) { aws->callback((AW_CB)AW_create_gc_color_groups_window, (AW_CL)aw_root, (AW_CL)id_par); aws->create_autosize_button("EDIT_COLOR_GROUP","Edit color groups", "E"); aws->at_newline(); } aws->window_fit(); return (AW_window *) aws; } AW_window *AW_create_gc_window(AW_root * aw_root, AW_gc_manager id_par) { return AW_create_gc_window_named(aw_root, id_par, "PROPS_GC", "Colors and Fonts"); } #endif // IN_ARB_WINDOW #ifdef IN_ARB_AWT // callback to reset to default font void awt_xfig_font_resetfont_cb(AW_window *aws){ AW_root *aw_root = aws->get_root(); aw_root->awar("vectorfont/file_name")->write_string("lib/pictures/fontgfx.vfont"); //AW_POPDOWN(aws); } void awt_xfig_font_create_filerequest(AW_window *aw) { static AW_window_simple *aws = 0; AW_root *aw_root = aw->get_root(); if (!aws) { // called *ONCE* to open the window aws = new AW_window_simple; aws->init( aw_root, "SELECT_VECTORFONT", "Select Xfig Vectorfont Resource"); aws->load_xfig("fontgfx_request.fig"); aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); aws->create_button("CLOSE","CLOSE","C"); aws->at("reset");aws->callback((AW_CB0)awt_xfig_font_resetfont_cb); aws->create_button("RESET","RESET","R"); // AWT_sel_boxes.cxx awt_create_selection_box((AW_window *)aws,"vectorfont","","ARBHOME"); } aw_root->awar("vectorfont/file_name")->write_string(aw_root->vectorfont_name); aws->activate(); } AW_window *AWT_preset_window( AW_root *root ) #else // IN_ARB_WINDOW : AW_window *AW_preset_window( AW_root *root ) #endif { AW_window_simple *aws = new AW_window_simple; const int tabstop = 400; aws->init( root, "PROPS_FRAME", "WINDOW_PROPERTIES"); aws->label_length( 25 ); aws->button_length( 20 ); aws->at ( 10,10 ); aws->auto_space(10,10); aws->callback ( AW_POPDOWN ); aws->create_button( "CLOSE","CLOSE", "C" ); aws->callback(AW_POPUP_HELP,(AW_CL)"props_frame.hlp"); aws->create_button("HELP","HELP", "H"); aws->at_newline(); //PJ vectorfont stuff aws->label("Vectorfont Resource"); #ifdef IN_ARB_AWT aws->callback( (AW_CB0) awt_xfig_font_create_filerequest); #endif // IN_ARB_AWT aws->create_button( "SELECT VECTORFONT", "Vectorfont Select", "V" ); aws->at_x(tabstop); aws->create_input_field( "vectorfont/file_name",20); aws->at_newline(); AW_preset_create_font_chooser(aws,"window/font", "Main Menu Font", 1); aws->at_x(tabstop); aws->create_input_field( "window/font", 12 ); aws->at_newline(); aws->button_length(10); AW_preset_create_color_chooser(aws,"window/background", "Application Background", true, true); aws->at_x(tabstop); aws->create_input_field( "window/background", 12 ); aws->at_newline(); AW_preset_create_color_chooser(aws,"window/foreground", "Application Foreground", true, true ); aws->at_x(tabstop); aws->create_input_field( "window/foreground", 12 ); aws->at_newline(); AW_preset_create_color_chooser(aws,"window/color_1", "Color 1", true, true ); aws->at_x(tabstop); aws->create_input_field( "window/color_1", 12 ); aws->at_newline(); AW_preset_create_color_chooser(aws,"window/color_2", "Color 2", true, true ); aws->at_x(tabstop); aws->create_input_field( "window/color_2", 12 ); aws->at_newline(); AW_preset_create_color_chooser(aws,"window/color_3", "Color 3", true, true ); aws->at_x(tabstop); aws->create_input_field( "window/color_3", 12 ); aws->at_newline(); aws->window_fit(); return (AW_window *)aws; } ./arbsrc_9167/WINDOW/aw_preset.hxx0000644012664100000130000000513311440743000016663 0ustar arb_buildcoders#ifndef AW_PRESET_HXX #define AW_PRESET_HXX #ifndef ATTRIBUTES_H #include #endif #define AWP_COLORNAME_TEMPLATE "GCS/%s/MANAGE_GCS/%s/colorname" #define AWP_FONTNAME_TEMPLATE "GCS/%s/MANAGE_GCS/%s/font" #define AWP_FONTSIZE_TEMPLATE "GCS/%s/MANAGE_GCS/%s/size" void AW_save_defaults( AW_window *aw ); // use this if you're unsure void AW_save_specific_defaults( AW_window *aw, const char *filename); AW_window *AW_preset_window( AW_root *root ); typedef enum { AW_GCM_DATA_AREA, AW_GCM_WINDOW_AREA } AW_GCM_AREA; AW_gc_manager AW_manage_GC(AW_window *aww, AW_device *device, int base_gc, int base_drag, AW_GCM_AREA area, void (*changecb)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2, bool define_color_groups, const char *default_background_color, ...) __ATTR__SENTINEL; /* creates some GC pairs: one for normal operation, the other for drag mode eg. AW_manage_GC(aww,device,10,20,AW_GCM_DATA_AREA, my_expose_cb, cd1 ,cd2, "name","#sequence",NULL); (see implementation for more details on parameter strings) will create 4 GCs: GC 10 (normal) and 20 (drag) GC 11 (normal and monospaced (indicated by '#') 21 drag and monospaced don't forget the 0 at the end of the fontname field When the GCs are modified the 'changecb' is called */ AW_window *AW_create_gc_window(AW_root *aw_root, AW_gc_manager id); /* opens the properties Window */ // same as AW_create_gc_window, but uses different window id and name // (use if if there are two or more color def windows in one application, // otherwise they save the same window properties) AW_window *AW_create_gc_window_named(AW_root * aw_root, AW_gc_manager id_par, const char *wid, const char *windowname); void AW_preset_create_font_chooser(AW_window *aws, const char *awar, const char *label,bool message_reload = false); void AW_preset_create_scale_chooser(AW_window *aws, const char *awar, const char *label); void AW_preset_create_color_chooser(AW_window *aws, const char *awar, const char *label,bool message_reload = false, bool show_label = false); void AW_copy_GCs(AW_root *aw_root, const char *source_window, const char *dest_window, bool has_font_info, const char *id0, ...) __ATTR__SENTINEL; #else #error aw_preset.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_print.cxx0000644012664100000130000002062011440743000016406 0ustar arb_buildcoders#include #include #include #include #include #include "aw_root.hxx" #include "aw_device.hxx" #include "aw_commn.hxx" #include "aw_print.hxx" // ------------------------ // AW_device_print // ------------------------ AW_device_print::AW_device_print(AW_common *commoni) : AW_device(commoni) { out = 0; } void AW_device_print::init() {} AW_DEVICE_TYPE AW_device_print::type(void) { return AW_DEVICE_PRINTER; } // ---------------------------------- // line text zoomtext box // ---------------------------------- int AW_device_print::line(int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { class AW_GC_Xm *gcm = AW_MAP_GC(gc); AW_pos X0,Y0,X1,Y1; // Transformed pos AW_pos CX0,CY0,CX1,CY1; // Clipped line int drawflag = 0; if(filteri & filter) { this->transform(x0,y0,X0,Y0); this->transform(x1,y1,X1,Y1); drawflag = this->clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { int line_width = gcm->line_width; if (line_width<=0) line_width = 1; AWUSE(cd1); AWUSE(cd2); aw_assert(out); // file has to be good! // type, subtype, style, thickness, pen_color, // fill_color(new), depth, pen_style, area_fill, style_val, // join_style(new), cap_style(new), radius, forward_arrow, // backward_arrow, npoints fprintf(out, "2 1 0 %d %d 0 0 0 0 0.000 0 0 0 0 0 2\n\t%d %d %d %d\n", (int)line_width,find_color_idx(gcm->last_fg_color), (int)CX0,(int)CY0,(int)CX1,(int)CY1); } } return drawflag; } int AW_draw_string_on_printer(AW_device *devicei, int gc, const char *str, size_t /*opt_strlen*/,size_t start, size_t size, AW_pos x,AW_pos y, AW_pos opt_ascent,AW_pos opt_descent, AW_CL cduser, AW_CL cd1, AW_CL cd2) { AW_pos X,Y; AW_device_print *device = (AW_device_print *)devicei; AW_common *common = device->common; class AW_GC_Xm *gcm = AW_MAP_GC(gc); AWUSE(cd1);AWUSE(cd2);AWUSE(opt_ascent);AWUSE(opt_descent);AWUSE(cduser); device->transform(x,y,X,Y); char *pstr = strdup(str+start); if (size < strlen(pstr)) pstr[size] = 0; else size = strlen(pstr); size_t i; for (i=0;iroot->font_2_xfig(gcm->fontnr); if (fontnr<0) fontnr = - fontnr; if (str[0]) { // 4=string 0=left color depth penstyle font font_size angle // font_flags height length x y string // (font/fontsize and color/depth have been switched from format // 2.1 to 3.2 fprintf(device->get_FILE(), "4 0 %d 0 0 %d %d 0.000 4 %d %d %d %d ", device->find_color_idx(gcm->last_fg_color), fontnr, gcm->fontsize, (int)gcm->fontinfo.max_letter.height, (int)device->get_string_size(gc,str,0), AW_INT(X),AW_INT(Y)); char *p; for (p = pstr; *p; p++) { if (*p >= 32) putc(*p,device->get_FILE()); } fprintf(device->get_FILE(), "\\001\n"); } free(pstr); return 1; } const char *AW_device_print::open(const char *path) { if (out) { aw_error("You cannot reopen a device",0); fclose (out); } out = fopen(path,"w"); if (!out) return "Sorry, I cannot open the file"; fprintf(out,"#FIG 3.2\n" // version "Landscape\n" // "Portrait" "Center\n" // "Flush Left" "Metric\n" // "Inches" "A4\n" "100.0\n" // export&print magnification % "Single\n" // Single/Multiple Pages "-3\n"); // background=transparent for gif export fprintf(out,"80 2\n"); // 80dbi, 2: origin in upper left corner if (color_mode) { for (int i=0; i<*common->data_colors_size; i++) { fprintf(out, "0 %d #%06lx\n", i+32, common->data_colors[0][i]); } } return 0; } int AW_device_print::find_color_idx(unsigned long color) { if (color_mode) { for (int i=0; i<*common->data_colors_size; i++) { if (color == common->data_colors[0][i]) { return i+32; } } } return -1; } void AW_device_print::set_color_mode(bool mode) { color_mode=mode; } void AW_device_print::close(void){ if (out) fclose(out); out = 0; } int AW_device_print::text(int gc, const char *str,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2, long opt_strlen) { return text_overlay(gc,str,opt_strlen,x,y,alignment,filteri,(AW_CL)this, cd1,cd2,0.0,0.0,AW_draw_string_on_printer); } int AW_device_print::box(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos height, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { int res; AW_pos x1 = x0+width; AW_pos y1 = y0+height; if (filled) { AW_pos q[8]; q[0] = x0; q[1] = y0; q[2] = x1; q[3] = y0; q[4] = x1; q[5] = y1; q[6] = x0; q[7] = y1; res = filled_area(gc,4,q,filteri,cd1,cd2); } else { res = line(gc, x0, y0, x1, y0, filteri, cd1, cd2); res |= line(gc, x0, y0, x0, y1, filteri, cd1, cd2); res |= line(gc, x0, y1, x1, y1, filteri, cd1, cd2); res |= line(gc, x1, y0, x1, y1, filteri, cd1, cd2); } return res; } int AW_device_print::circle(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos height, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { AWUSE(cd1);AWUSE(cd2); AW_GC_Xm *gcm = AW_MAP_GC(gc); AW_pos x1,y1; AW_pos X0,Y0,X1,Y1; // Transformed pos AW_pos CX0,CY0,CX1,CY1; // Clipped line if(filteri & filter) { width *= get_scale(); height *= get_scale(); x1 = x0 + width; y1 = y0 + height; this->transform(x0,y0,X0,Y0); this->transform(x1,y1,X1,Y1); int drawflag = this->box_clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { AWUSE(cd1); AWUSE(cd2); // Don't know how to use greylevel --ralf // short greylevel = (short)(gcm->grey_level*22); // if (greylevel>21) greylevel = 21; int line_width = gcm->line_width; if (line_width<=0) line_width = 1; int colorIdx = find_color_idx(gcm->last_fg_color); // 1, 3, 0?, line_width?, pencolor, fill_color, 0?, 0?, fill_style(-1 = none, 20 = filled), // ?, ?, ?, coordinates+size (8 entries) fprintf(out,"1 3 0 %d %d %d 0 0 %d 0.000 1 0.0000 %d %d %d %d %d %d %d %d\n", line_width, colorIdx, // before greylevel has been used here filled ? colorIdx : -1, filled ? 20 : -1, (int)CX0,(int)CY0, (int)width,(int)height, (int)CX0,(int)CY0, (int)(CX0+width),(int)CY0); } } return 0; } int AW_device_print::filled_area(int gc, int npoints, AW_pos *points, AW_bitset filteri, AW_CL cd1, AW_CL cd2){ int erg = 0; int i; if ( !(filteri & this->filter) ) return 0; erg |= generic_filled_area(gc,npoints,points,filteri,cd1,cd2); if (!erg) return 0; // no line visible -> no area fill AW_GC_Xm *gcm = AW_MAP_GC(gc); AW_pos x,y; AW_pos X,Y; // Transformed pos AW_pos CX0,CY0,CX1,CY1; // Clipped line short greylevel = (short)(gcm->grey_level*22); if (greylevel>21) greylevel = 21; int line_width = gcm->line_width; if (line_width<=0) line_width = 1; fprintf(out, "2 3 0 %d %d -1 0 0 %d 0.000 0 0 -1 0 0 %d\n", line_width, find_color_idx(gcm->last_fg_color), greylevel, npoints+1); for (i=0; i < npoints; i++) { x = points[2*i]; y = points[2*i+1]; this->transform(x,y,X,Y); this->box_clip(X,Y,0,0,CX0,CY0,CX1,CY1); fprintf(out," %d %d\n",(int)CX0,(int)CY0); } x = points[0]; y = points[1]; this->transform(x,y,X,Y); this->box_clip(X,Y,0,0,CX0,CY0,CX1,CY1); fprintf(out," %d %d\n",(int)CX0,(int)CY0); return 1; } ./arbsrc_9167/WINDOW/aw_print.hxx0000644012664100000130000000257611440743000016525 0ustar arb_buildcoders#ifndef AW_PRINT_HXX #define AW_PRINT_HXX class AW_device_print: public AW_device { FILE *out; public: // ********* real public AW_device_print(AW_common *commoni); void init(void); const char *open(const char *path); void close(void); bool color_mode; FILE *get_FILE() { return out; } // AW_device interface : AW_DEVICE_TYPE type(void); int line(int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filter, AW_CL cd1, AW_CL cd2); int text(int gc, const char *string,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2,long opt_strlen); int box(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filter, AW_CL cd1, AW_CL cd2); int circle(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filter, AW_CL cd1, AW_CL cd2); int filled_area(int gc, int npoints, AW_pos *points, AW_bitset filteri, AW_CL cd1, AW_CL cd2); int find_color_idx(unsigned long color); void set_color_mode(bool mode); int arc(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, int start_degrees, int arc_degrees, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_arc(gc, filled, x0, y0, width, heigth, start_degrees, arc_degrees, filteri, cd1, cd2); } }; #else #error aw_print.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_question.cxx0000644012664100000130000000740011440743000017122 0ustar arb_buildcoders// ==================================================================== // // // // File : aw_question.cpp // // Purpose : // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #include #include #include #include using namespace std; // start of implementation of class AW_repeated_question: void AW_repeated_question::add_help(const char *help_file) { freedup(helpfile, help_file); } int AW_repeated_question::get_answer(const char *question, const char *buttons, const char *to_all, bool add_abort) { if (!buttons_used) { buttons_used = strdup(buttons); } else { // do not use the same instance of AW_repeated_question with different buttons! assert_or_exit(strcmp(buttons_used, buttons) == 0); } if (answer == -1 || dont_ask_again == false) { char *all = GBS_global_string_copy(" (%s)", to_all); int all_len = strlen(all); size_t but_len = strlen(buttons); size_t new_buttons_len = but_len*3+1+(add_abort ? 6 : 0)+all_len*3; char *new_buttons = (char*)malloc(new_buttons_len); int button_count = 0; // number of buttons in 'buttons' { // transform "YES,NO" -> "YES,YES (to_all),^NO,NO (to_all)" or "YES (to_all),NO (to_all)" char *w = new_buttons; const char *r = buttons; while (1) { const char *komma = strchr(r, ','); if (!komma) komma = strchr(r, 0); int len = komma-r; if (!dont_ask_again) { if (w>new_buttons) *w++ = '^'; // not in front of first button memcpy(w, r, len); w += len; *w++ = ','; } memcpy(w, r, len); w += len; memcpy(w, all, all_len); w += all_len; *w++ = ','; button_count++; if (!komma[0]) break; r = komma+1; } if (add_abort) { const char *abort = "^ABORT"; strcpy(w, abort); w += strlen(abort); } else { --w; // delete komma at end } w[0] = 0; aw_assert(size_t(w-new_buttons) < new_buttons_len); // oops buffer overflow free(all); } int user_answer = aw_question(question, new_buttons, true, helpfile); if (dont_ask_again) { // ask question as normal when called first (dont_ask_again later) answer = user_answer; } else { answer = user_answer/2; dont_ask_again = (user_answer%2) || (user_answer == (button_count*2)); } free(new_buttons); aw_assert(answer<(button_count+(add_abort ? 1 : 0))); } aw_assert(answer != -1); return answer; } // -end- of implementation of class AW_repeated_question. ./arbsrc_9167/WINDOW/aw_question.hxx0000644012664100000130000000462411440743000017234 0ustar arb_buildcoders// ==================================================================== // // // // File : aw_question.hxx // // Purpose : Functions to ask questions to user // // // // // // Coded by Ralf Westram (coder@reallysoft.de) in January 2002 // // Copyright Department of Microbiology (Technical University Munich) // // // // Visit our web site at: http://www.arb-home.de/ // // // // // // ==================================================================== // #ifndef AW_QUESTION_HXX #define AW_QUESTION_HXX #ifndef AW_ROOT_HXX #include #endif #ifndef _STDLIB_H #include #endif #ifndef ARBTOOLS_H #include #endif // for simple questions use : int aw_message(const char *msg, const char *buttons) // // if you ask the same question in a loop, it is recommended to use AW_repeated_question // to avoid asking the same question again and again. // // Usage : 1. Create a new instance of AW_repeated_question outside the loop // 2. call get_answer() inside the loop class AW_repeated_question : Noncopyable { private: int answer; bool dont_ask_again; char *buttons_used; char *helpfile; public: AW_repeated_question(bool dont_ask_again_ = false) : answer(0), dont_ask_again(dont_ask_again_), buttons_used(0), helpfile(0) {} virtual ~AW_repeated_question() { free(buttons_used); free(helpfile); } void add_help(const char *help_file); // when called, a help button is added to the prompter int get_answer(const char *question, const char *buttons, const char *to_all, bool add_abort); // return 0 for first button, 1 for second button, 2 for third button, ... // the single buttons are seperated by kommas (i.e. "YES,NO") // if add_abort is true an 'ABORT' button is added behind the last }; #else #error aw_question.hxx included twice #endif // AW_QUESTION_HXX ./arbsrc_9167/WINDOW/aw_root.hxx0000644012664100000130000003650011440743000016346 0ustar arb_buildcoders#ifndef AW_ROOT_HXX #define AW_ROOT_HXX #ifndef _STDIO_H #include #endif #ifndef aw_assert #ifndef ARB_ASSERT_H #include #endif #define aw_assert(bed) arb_assert(bed) #endif #ifndef ATTRIBUTES_H #include #endif #ifndef ARBDB_BASE_H #include #endif #define AW_ROOT_DEFAULT (aw_main_root_default) class AW_root; class AW_window; typedef long AW_CL; // generic client data type (void *) typedef void (*AW_RCB)(AW_root*,AW_CL,AW_CL); typedef void (*AW_RCB0)(AW_root*); typedef void (*AW_RCB1)(AW_root*,AW_CL); typedef void (*AW_RCB2)(AW_root*,AW_CL,AW_CL); typedef AW_window *(*AW_PPP)(AW_root*,AW_CL,AW_CL); typedef const char *AWAR; typedef long AW_bitset; typedef double AW_pos; typedef float AW_grey_level; // <0 dont fill 0.0 white 1.0 black typedef GBDATA *AW_default; typedef AW_bitset AW_active; // bits to activate/inactivate buttons typedef int AW_font; typedef const char *GB_ERROR; typedef struct gbs_hash_struct GB_HASH; extern AW_default aw_main_root_default; typedef struct _WidgetRec *Widget; // #define AWUSE(variable) variable = variable #if defined(DEBUG) && defined(DEVEL_RALF) && 0 #define AWUSE(variable) (void)variable; int DONT_USE_AWUSE_FOR_##variable #else #define AWUSE(variable) (void)variable #endif // DEBUG // AWUSE is a obsolete way to get rid of unused-warnings. Will be removed in the future - do not use! // If your warning is about a parameter, skip the parameters name. // If your warning is about a variable, the variable is superfluous and should most likely be removed. #if defined(DEBUG) #define legal_mask(m) (((m)&AWM_ALL) == (m)) #endif // DEBUG typedef enum { AW_NONE = 0, AW_BIT = 1, AW_BYTE = 2, AW_INT = 3, AW_FLOAT = 4, AW_POINTER = 5, AW_BITS = 6, // 7 is unused AW_BYTES = 8, AW_INTS = 9, AW_FLOATS = 10, AW_STRING = 12, // 13 is reserved (GB_STRING_SHRT) // 14 is unused AW_DB = 15, // keep AW_VARIABLE_TYPE consistent with GB_TYPES // see ../ARBDB/arbdb.h@sync_GB_TYPES_AW_VARIABLE_TYPE AW_TYPE_MAX = 16 } AW_VARIABLE_TYPE; typedef struct { int t, b, l, r; } AW_rectangle; typedef struct { AW_pos t, b, l, r; } AW_world; typedef char *AW_error; int aw_question (const char *msg, const char *buttons, bool fixedSizeButtons = true, const char *helpfile = 0); bool aw_ask_sure (const char *msg, bool fixedSizeButtons = true, const char *helpfile = 0); void aw_popup_ok (const char *msg, bool fixedSizeButtons = true, const char *helpfile = 0); void aw_popup_exit(const char *msg, bool fixedSizeButtons = true, const char *helpfile = 0) __ATTR__NORETURN; // asynchronous messages: extern char AW_ERROR_BUFFER[1024]; void aw_set_local_message(); // no message window, AWAR_ERROR_MESSAGES instead void aw_message(const char *msg); void aw_message(); // prints AW_ERROR_BUFFER; void aw_macro_message(const char *temp, ...) __ATTR__FORMAT(1); // gives control to the user // Read a string from the user : char *aw_input(const char *title, const char *prompt, const char *default_input); char *aw_input(const char *prompt, const char *default_input); inline char *aw_input(const char *prompt) { return aw_input(prompt, NULL); } char *aw_input2awar(const char *title, const char *prompt, const char *awar_value); char *aw_input2awar(const char *prompt, const char *awar_value); char *aw_string_selection (const char *title, const char *prompt, const char *default_value, const char *value_list, const char *buttons, char *(*check_fun)(const char*)); char *aw_string_selection2awar(const char *title, const char *prompt, const char *awar_name, const char *value_list, const char *buttons, char *(*check_fun)(const char*)); int aw_string_selection_button(); // returns index of last selected button (destroyed by aw_string_selection and aw_input) void AW_ERROR(const char *templat, ...) __ATTR__FORMAT(1); void aw_initstatus( void ); // call this function only once as early as possible void aw_openstatus( const char *title ); // show status void aw_closestatus( void ); // hide status int aw_status( const char *text ); // return 1 if exit button is pressed + set statustext #ifdef __cplusplus extern "C" { #endif int aw_status( double gauge ); // return 1 if exit button is pressed + set statusslider #ifdef __cplusplus } #endif int aw_status( void ); // return 1 if exit button is pressed void aw_error( const char *text, const char *text2 ); // internal error: asks for core class AW_root_Motif; class AW_awar; struct AW_var_callback; struct AW_xfig_vectorfont; typedef enum { NO_EVENT = 0, KEY_PRESSED = 2, KEY_RELEASED = 3 } AW_ProcessEventType; class AW_root { public: static AW_root *THIS; AW_root_Motif *prvt; // Do not use !!! bool value_changed; long changer_of_variable; int y_correction_for_input_labels; AW_active global_mask; GB_HASH *hash_table_for_variables; bool variable_set_by_toggle_field; int number_of_toggle_fields; int number_of_option_menues; char *program_name; void *get_aw_var_struct(char *awar); void *get_aw_var_struct_no_error(char *awar); bool disable_callbacks; struct AW_var_callback *focus_callback_list; int active_windows; void window_show(); // a window is set to screen void window_hide(); /********************* the read only public section ***********************/ AW_default application_database; short font_width; short font_height; short font_ascent; GB_HASH *hash_for_windows; /* PJ - vectorfont stuff */ float vectorfont_userscale; // user scaling char *vectorfont_name; // name of font int vectorfont_zoomtext; // zoomtext calls: 0 = Xfont, 1 = vectorfont AW_xfig_vectorfont *vectorfont_lines; // graphic data of the font /************************* the real public section *************************/ AW_root(); ~AW_root(); enum { AW_MONO_COLOR, AW_RGB_COLOR } color_mode; void init_variables( AW_default database ); void init_root( const char *programmname , bool no_exit); void main_loop(void); void process_events(void); // might block void process_pending_events(void); // non-blocking AW_ProcessEventType peek_key_event(AW_window *); void add_timed_callback (int ms, AW_RCB2 f, AW_CL cd1, AW_CL cd2); void add_timed_callback_never_disabled(int ms, AW_RCB2 f, AW_CL cd1, AW_CL cd2); void add_timed_callback (int ms, AW_RCB1 f, AW_CL cd1) { add_timed_callback (ms, (AW_RCB2)f, cd1, 0); } void add_timed_callback_never_disabled(int ms, AW_RCB1 f, AW_CL cd1) { add_timed_callback_never_disabled(ms, (AW_RCB2)f, cd1, 0); } void add_timed_callback (int ms, AW_RCB0 f) { add_timed_callback (ms, (AW_RCB2)f, 0, 0); } void add_timed_callback_never_disabled(int ms, AW_RCB0 f) { add_timed_callback_never_disabled(ms, (AW_RCB2)f, 0, 0); } void set_focus_callback(void(*f)(class AW_root*, AW_CL, AW_CL), AW_CL cd1, AW_CL cd2); /* any focus callback in any window */ AW_awar *awar(const char *awar); AW_awar *awar_no_error(const char *awar); AW_awar *awar_string (const char *var_name, const char *default_value = "", AW_default default_file = AW_ROOT_DEFAULT); AW_awar *awar_int (const char *var_name, long default_value = 0, AW_default default_file = AW_ROOT_DEFAULT); AW_awar *awar_float (const char *var_name, float default_value = 0.0, AW_default default_file = AW_ROOT_DEFAULT); AW_awar *awar_pointer(const char *var_name, void *default_value = NULL, AW_default default_file = AW_ROOT_DEFAULT); AW_awar *label_is_awar(const char *label); // returns awar, if label refers to one (used by buttons, etc.) void unlink_awars_from_DB(GBDATA *gb_main); // use before calling GB_close for 'gb_main', if you have AWARs in DB AW_default open_default(const char *default_name, bool create_if_missing = true); AW_error *save_default( const char *awar_name ); AW_error *save_default( const char *awar_name, const char *file_name ); AW_error *save_default(AW_default aw_default, const char *file_name); AW_default get_default(const char *varname); AW_default get_gbdata(const char *varname); // ************** Set and clear sensitivity of buttons and menus ********* void apply_sensitivity(AW_active mask); void make_sensitive(Widget w, AW_active mask); GB_ERROR start_macro_recording(const char *file,const char *application_id, const char *stop_action_name); GB_ERROR stop_macro_recording(); GB_ERROR execute_macro(const char *file); void stop_execute_macro(); // Starts macro window main loop, delayed return GB_ERROR enable_execute_macro(FILE *mfile,const char *mname); // leave macro window main loop, returns stop_execute_macro void define_remote_command(struct AW_cb_struct *cbs); GB_ERROR check_for_remote_command(AW_default gb_main,const char *rm_base); /************************************************************************* Fonts *************************************************************************/ const char *font_2_ascii(AW_font font_nr); // converts fontnr to string // returns 0 if font is not available int font_2_xfig(AW_font font_nr); // converts fontnr to xfigid // negative values indicate monospaced f. #if defined(DEBUG) size_t callallcallbacks(int mode); #endif // DEBUG }; /************************************************************************* AWARS *************************************************************************/ struct AW_var_callback; struct AW_var_target; typedef void (*Awar_CB)(AW_root *, AW_CL, AW_CL); typedef void (*Awar_CB2)(AW_root *, AW_CL, AW_CL); typedef void (*Awar_CB1)(AW_root *, AW_CL); typedef void (*Awar_CB0)(AW_root *); typedef struct gb_data_base_type GBDATA; class AW_awar { struct { struct { float min; float max; } f; const char *srt; } pp; struct AW_var_callback *callback_list; struct AW_var_target *target_list; #if defined(DEBUG) bool is_global; #endif // DEBUG void remove_all_callbacks(); void remove_all_target_vars(); bool unlink_from_DB(GBDATA *gb_main); friend long AW_unlink_awar_from_DB(const char *key, long cl_awar, void *cl_gb_main); friend void AW_var_gbdata_callback_delete_intern(GBDATA *gbd, int *cl); public: // read only class AW_root *root; GBDATA *gb_var; // if unmapped, points to same DB elem as 'gb_origin' GBDATA *gb_origin; // this is set ONCE on creation of awar // read only AW_VARIABLE_TYPE variable_type; // type of the awar char *awar_name; // name of the awar void run_callbacks(); void update_target(AW_var_target*pntr); void update_targets(); AW_awar( AW_VARIABLE_TYPE var_type, const char *var_name, const char *var_value, double var_double_value, AW_default default_file, AW_root *root ); AW_awar *add_callback(Awar_CB2 f, AW_CL cd1, AW_CL cd2); AW_awar *add_callback(Awar_CB1 f, AW_CL cd1); AW_awar *add_callback(Awar_CB0 f); AW_awar *remove_callback( Awar_CB2 f, AW_CL cd1, AW_CL cd2 ); // remove a callback AW_awar *remove_callback( Awar_CB1 f, AW_CL cd1 ); AW_awar *remove_callback( Awar_CB0 f); AW_awar *add_target_var( char **ppchr); AW_awar *add_target_var( long *pint); AW_awar *add_target_var( float *pfloat); void update(); // awar has changed AW_awar *set_minmax(float min, float max); AW_awar *set_srt(const char *srt); AW_awar *map(const char *awarn) { return this->map(root->awar(awarn)); } AW_awar *map(AW_default dest); /* map to new address */ AW_awar *map(AW_awar *dest); /* map to new address */ AW_awar *unmap(); /* map to original address */ void get(char **p_string ) { freeset(*p_string, read_string()); } /* deletes existing targets !!!*/ void get(long *p_int ) { *p_int = (long)read_int(); } void get(double *p_double ) { *p_double = read_float(); } void get(float *p_float ) { *p_float = read_float(); } AW_VARIABLE_TYPE get_type(); char *read_string(); const char *read_char_pntr(); char *read_as_string(); long read_int(); double read_float(); void *read_pointer(); GB_ERROR write_string(const char *aw_string); GB_ERROR write_as_string(const char *aw_string); GB_ERROR write_int(long aw_int); GB_ERROR write_float(double aw_double); GB_ERROR write_pointer(void *aw_pointer); GB_ERROR write_as(char *aw_value) { return write_as_string(aw_value);}; // same as write_-versions above, but always touches the database field GB_ERROR rewrite_string(const char *aw_string); GB_ERROR rewrite_as_string(const char *aw_string); GB_ERROR rewrite_int(long aw_int); GB_ERROR rewrite_float(double aw_double); GB_ERROR rewrite_pointer(void *aw_pointer); GB_ERROR rewrite_as(char *aw_value) { return rewrite_as_string(aw_value);}; GB_ERROR toggle_toggle(); /* switches between 1/0 */ void touch(void); GB_ERROR make_global() __ATTR__USERESULT; // should be used by ARB_init_global_awars only }; bool ARB_global_awars_initialized(); GB_ERROR ARB_init_global_awars(AW_root *aw_root, AW_default aw_def, GBDATA *gb_main) __ATTR__USERESULT; // ---------------------------------- // class Awar_Callback_Info // ---------------------------------- class Awar_Callback_Info { // this structure is used to store all information on an awar callback // and can be used to remove or remap awar callback w/o knowing anything else AW_root *awr; Awar_CB callback; AW_CL cd1, cd2; char *awar_name; char *org_awar_name; void init (AW_root *awr_, const char *awar_name_, Awar_CB2 callback_, AW_CL cd1_, AW_CL cd2_); public: Awar_Callback_Info(AW_root *awr_, const char *awar_name_, Awar_CB2 callback_, AW_CL cd1_, AW_CL cd2_) { init(awr_, awar_name_, callback_, cd1_, cd2_); } Awar_Callback_Info(AW_root *awr_, const char *awar_name_, Awar_CB1 callback_, AW_CL cd1_) { init(awr_, awar_name_, (Awar_CB2)callback_, cd1_, 0); } Awar_Callback_Info(AW_root *awr_, const char *awar_name_, Awar_CB0 callback_) { init(awr_, awar_name_, (Awar_CB2)callback_, 0, 0); } ~Awar_Callback_Info() { delete awar_name; delete org_awar_name; } void add_callback() { awr->awar(awar_name)->add_callback(callback, cd1, cd2); } void remove_callback() { awr->awar(awar_name)->remove_callback(callback, cd1, cd2); } void remap(const char *new_awar); const char *get_awar_name() const { return awar_name; } const char *get_org_awar_name() const { return org_awar_name; } AW_root *get_root() { return awr; } }; #else #error aw_root.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_size.cxx0000644012664100000130000000622111440743000016225 0ustar arb_buildcoders#include #include #include #include #include #include "aw_device.hxx" #include "aw_commn.hxx" #include #include using namespace std; //***************************************************************************************** // size_device //***************************************************************************************** AW_device_size::AW_device_size(AW_common *commoni): AW_device(commoni) { ; } void AW_device_size::init() { drawn = false; size_information.t = 0; size_information.b = 0; size_information.l = 0; size_information.r = 0; } AW_DEVICE_TYPE AW_device_size::type(void) { return AW_DEVICE_SIZE; } void AW_device_size::privat_reset(void){ this->init(); } inline void AW_device_size::dot_transformed(AW_pos X, AW_pos Y) { if (drawn) { size_information.l = min(size_information.l, X); size_information.r = max(size_information.r, X); size_information.t = min(size_information.t, Y); size_information.b = max(size_information.b, Y); } else { size_information.l = size_information.r = X; size_information.t = size_information.b = Y; drawn = true; } } inline void AW_device_size::dot(AW_pos x, AW_pos y) { AW_pos X, Y; transform(x, y, X, Y); dot_transformed(X, Y); } /***********************************************************************************************************************/ /* line text zoomtext box *******************************************************************************************/ /***********************************************************************************************************************/ bool AW_device_size::invisible(int gc, AW_pos x, AW_pos y, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2) { if (filteri & filter) dot(x, y); return AW_device::invisible(gc,x,y,filteri,clientdata1,clientdata2); } int AW_device_size::line(int gc, AW_pos x0, AW_pos y0, AW_pos x1, AW_pos y1, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2) { AWUSE(clientdata1);AWUSE(clientdata2); AWUSE(gc); if (filteri & filter) { dot(x0, y0); dot(x1, y1); return true; } return false; } int AW_device_size::text(int gc, const char *str, AW_pos x, AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL clientdata1, AW_CL clientdata2, long opt_strlen) { AWUSE(clientdata1);AWUSE(clientdata2); if(filteri & filter) { XFontStruct *xfs = &(common->gcs[gc]->curfont); AW_pos X0,Y0; // Transformed pos this->transform(x,y,X0,Y0); AW_pos l_ascent = xfs->max_bounds.ascent; AW_pos l_descent = xfs->max_bounds.descent; AW_pos l_width = get_string_size(gc, str, opt_strlen); X0 = common->x_alignment(X0,l_width,alignment); dot_transformed(X0, Y0-l_ascent); dot_transformed(X0+l_width, Y0+l_descent); return 1; } return 0; } void AW_device_size::get_size_information(AW_world *ptr) { *ptr = size_information; } ./arbsrc_9167/WINDOW/aw_size.hxx0000644012664100000130000000322711440743000016335 0ustar arb_buildcoders#ifndef AW_SIZE_HXX #define AW_SIZE_HXX class AW_device_size: public AW_device { bool drawn; AW_world size_information; void privat_reset(void); void dot(AW_pos x, AW_pos y); void dot_transformed(AW_pos X, AW_pos Y); public: AW_device_size(AW_common *commoni); void init(void); AW_DEVICE_TYPE type(void); bool invisible(int gc, AW_pos x, AW_pos y, AW_bitset filteri, AW_CL cd1, AW_CL cd2); int line(int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filteri, AW_CL cd1, AW_CL cd2); int text(int gc,const char *string,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2,long opt_strlen = 0); void get_size_information(AW_world *ptr); int box(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_box(gc, filled, x0, y0, width, heigth, filteri, cd1, cd2); } int filled_area(int gc, int npoints, AW_pos *points, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_filled_area(gc, npoints, points, filteri, cd1, cd2); } int circle(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_circle(gc, filled, x0, y0, width, heigth, filteri, cd1, cd2); } int arc(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, int start_degrees, int arc_degrees, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_arc(gc, filled, x0, y0, width, heigth, start_degrees, arc_degrees, filteri, cd1, cd2); } }; #else #error aw_size.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_status.cxx0000644012664100000130000021237111440743000016603 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "aw_global.hxx" #include #include #include #include using namespace std; #define FD_SET_TYPE // Globals #define AW_GAUGE_SIZE 40 // length of gauge display (in characters) #define AW_GAUGE_GRANULARITY 1000 // how fine the gauge is transported to status (no of steps) [old value = 255] #define AW_GAUGE_PERCENT(pc) ((pc)*AW_GAUGE_GRANULARITY/100) #define AW_STATUS_KILL_DELAY 4000 // in ms #define AW_STATUS_LISTEN_DELAY 300 // in ms #define AW_STATUS_HIDE_DELAY 60 // in sec #define AW_STATUS_PIPE_CHECK_DELAY 1000*2 // in ms (a pipe check every 2 seconds) #define AWAR_STATUS "tmp/Status/" #define AWAR_STATUS_TITLE AWAR_STATUS "Title" #define AWAR_STATUS_TEXT AWAR_STATUS "Text" #define AWAR_STATUS_GAUGE AWAR_STATUS "Gauge" #define AWAR_STATUS_ELAPSED AWAR_STATUS "Elapsed" #define AWAR_QUESTION "tmp/Question" #define AW_MESSAGE_LISTEN_DELAY 500 // look in ms whether a father died #define AW_MESSAGE_LINES 500 #if defined(DEBUG) // ARB_LOGGING should always be undefined in SVN version! // #define ARB_LOGGING // #define TRACE_STATUS // // // enable debug output for status window (which runs forked!) // #define TRACE_STATUS_MORE // // enable more debug output // #define PIPE_DEBUGGING // // enable debug output for pipes (for write commands) #endif // DEBUG enum { // messages send from status-process to main-process : AW_STATUS_OK = 0, AW_STATUS_ABORT = 1, // messages send from main-process to status-process : AW_STATUS_CMD_INIT, AW_STATUS_CMD_OPEN, AW_STATUS_CMD_CLOSE, AW_STATUS_CMD_TEXT, AW_STATUS_CMD_GAUGE, AW_STATUS_CMD_MESSAGE }; #define AW_EST_BUFFER 5 struct aw_stg_struct { int fd_to[2]; int fd_from[2]; int mode; int hide; int hide_delay; // in seconds pid_t pid; bool is_child; // true in status window process int pipe_broken; int err_no; AW_window *aws; AW_window *awm; bool status_initialized; char *lines[AW_MESSAGE_LINES]; bool need_refresh; // if true -> message list needs to refresh time_t last_refresh_time; time_t last_message_time; int local_message; time_t last_start; // time of last status start long last_est_count; long last_estimation[AW_EST_BUFFER]; long last_used_est; } aw_stg = { {0,0}, // fd_to {0,0}, // fd_from AW_STATUS_OK, // mode 0, // hide 0, // hide_delay 0, // pid false, // is_child 0, // pipe_broken 0, // errno 0, // aws 0, // awm false, // status_initialized { 0,0,0 }, // lines false, // need_refresh 0, // last_refresh_time 0, // last_message_time 0, // local_message 0, // last_start 0, // last_est_count { 0 }, // last_estimation -1, // last_used_est }; #include // timeouts : #define POLL_TIMEOUT 0 // idle wait POLL_TIMEOUT microseconds before returning EOF when polling #if defined(DEBUG) #define WRITE_TIMEOUT 1000 // 1 second for debug version (short because it always reaches timeout inside debugger) #else #define WRITE_TIMEOUT 10000 // 10 seconds for release #endif // DEBUG static void mark_pipe_broken(int err_no) { #if defined(PIPE_DEBUGGING) if (aw_stg.pipe_broken != 0) { fprintf(stderr, "Pipe already broken in mark_pipe_broken(); pipe_broken=%i aw_stg.errno=%i errno=%i\n", aw_stg.pipe_broken, aw_stg.err_no, err_no); } fprintf(stderr, "Marking pipe as broken (errno=%i)\n", err_no); #endif // PIPE_DEBUGGING aw_stg.err_no = err_no; aw_stg.pipe_broken = 1; static bool error_shown = false; if (!error_shown) { fprintf(stderr, "******************************************************************\n" "The connection to the status window was blocked unexpectedly!\n" "This happens if you run the program from inside the debugger\n" "or when the process is blocked longer than %5.2f seconds.\n" "Further communication with the status window is suppressed.\n" "******************************************************************\n" , WRITE_TIMEOUT/1000.0); } } static ssize_t safe_write(int fd, const char *buf, int count) { if (aw_stg.pipe_broken != 0) { #if defined(PIPE_DEBUGGING) fprintf(stderr, "pipe is broken -- avoiding write of %i bytes\n", count); #endif // PIPE_DEBUGGING return -1; } gb_assert(count>0); // write nothing - bad idea ssize_t result = -1; { fd_set set; struct timeval timeout; timeout.tv_sec = WRITE_TIMEOUT/1000; timeout.tv_usec = WRITE_TIMEOUT%1000; FD_ZERO(&set); FD_SET(fd, &set); int sel_res = select(fd+1, 0, &set, 0, &timeout); if (sel_res == -1) { fprintf(stderr, "select (before write) returned error (errno=%i)\n", errno); exit(EXIT_FAILURE); } bool pipe_would_block = !FD_ISSET(fd, &set); #if defined(PIPE_DEBUGGING) fprintf(stderr, "select returned %i, pipe_would_block=%i (errno=%i)\n", sel_res, int(pipe_would_block), errno); if (pipe_would_block) { fprintf(stderr, " Avoiding to write to pipe (because it would block!)\n"); } else { fprintf(stderr, " Write %i bytes to pipe.\n", count); } #endif // PIPE_DEBUGGING if (!pipe_would_block) { result = write(fd, buf, count); } } if (result<0) { mark_pipe_broken(errno); } else if (result != count) { #if defined(PIPE_DEBUGGING) fprintf(stderr, "write wrote %i bytes instead of %i as requested.\n", result, count); #endif // PIPE_DEBUGGING mark_pipe_broken(0); } return result; } static void aw_status_write( int fd, int cmd) { char buf = cmd; safe_write(fd, &buf, 1); } static int aw_status_read_byte(int fd, int poll_flag) /* read one byte from the pipe, if poll ==1 then dont wait for any data, but return EOF */ { int erg; unsigned char buffer[2]; if (poll_flag){ fd_set set; struct timeval timeout; timeout.tv_sec = POLL_TIMEOUT/1000; timeout.tv_usec = POLL_TIMEOUT%1000; FD_ZERO (&set); FD_SET (fd, &set); erg = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,NULL,&timeout); if (erg ==0) return EOF; } erg = read(fd,(char *)&(buffer[0]),1); if (erg<=0) { // process died fprintf(stderr, "father died, now i kill myself\n"); exit(EXIT_FAILURE); } return buffer[0]; } static int aw_status_read_int(int fd, int poll_flag) { /* read one integer from the pipe, if poll ==1 then dont wait for any data, but return EOF */ int erg; unsigned char buffer[sizeof(int)+1]; if (poll_flag){ fd_set set; struct timeval timeout; timeout.tv_sec = POLL_TIMEOUT/1000; timeout.tv_usec = POLL_TIMEOUT%1000; FD_ZERO (&set); FD_SET (fd, &set); erg = select(FD_SETSIZE,FD_SET_TYPE &set,NULL,NULL,&timeout); if (erg == 0) return EOF; } erg = read(fd,(char *)buffer,sizeof(int)); if (erg<=0) { // process died fprintf(stderr, "father died, now i kill myself\n"); exit(EXIT_FAILURE); } return *(int*)buffer; } static int aw_status_read_command(int fd, int poll_flag, char*& str, int *gaugePtr = 0) { char buffer[1024]; int cmd = aw_status_read_byte(fd,poll_flag); if ( cmd == AW_STATUS_CMD_TEXT || cmd == AW_STATUS_CMD_OPEN || cmd == AW_STATUS_CMD_MESSAGE ) { char *p = buffer; int c; for ( c = aw_status_read_byte(fd,0); c; c = aw_status_read_byte(fd,0)){ *(p++) = c; } *(p++) = c; str = strdup(buffer); } else if (cmd == AW_STATUS_CMD_GAUGE) { // int gauge = aw_status_read_byte(fd,0); int gauge = aw_status_read_int(fd,0); if (gaugePtr) *gaugePtr = gauge; char *p = buffer; int i = 0; int rough_gauge = (gauge*AW_GAUGE_SIZE)/AW_GAUGE_GRANULARITY; for (;ishow(); aw_stg.hide = 0; } } static void aw_status_hide(AW_window *aws) { aw_stg.hide = 1; aws->hide(); /** install timer event **/ aws->get_root()->add_timed_callback(aw_stg.hide_delay*1000, aw_status_timer_hide_event, 0, 0); // aws->get_root()->add_timed_callback(AW_STATUS_HIDE_DELAY*60, aw_status_timer_hide_event, 0, 0); // increase hide delay for next press of hide button if (aw_stg.hide_delay < (60*60)) { // max hide delay is 1 hour aw_stg.hide_delay *= 3; // initial: 60sec -> 3min -> 9min -> 27min -> 60min (max) } else { aw_stg.hide_delay = 60*60; } } static void aw_status_timer_event(AW_root *awr, AW_CL, AW_CL) { #if defined(TRACE_STATUS_MORE) fprintf(stderr, "in aw_status_timer_event\n"); fflush(stdout); #endif // TRACE_STATUS_MORE if (aw_stg.mode == AW_STATUS_ABORT) { int action = aw_question("Couldn't quit properly in time.\n" "Either wait again for the abortion,\n" "kill the calculating process or\n" "continue the calculation.", "Wait again,Kill,Continue"); switch (action) { case 0: return; case 1: { char buf[255]; sprintf(buf, "kill -9 %i", aw_stg.pid); system(buf); exit(0); } case 2: { char *title = awr->awar(AWAR_STATUS_TITLE)->read_string(); char *subtitle = awr->awar(AWAR_STATUS_TEXT)->read_string(); aw_message(GBS_global_string("If you think the process should be made abortable,\n" "please send the following information to devel@arb-home.de:\n" "\n" "Calculation not abortable from status window.\n" "Title: %s\n" "Subtitle: %s\n", title, subtitle)); aw_stg.mode = AW_STATUS_OK; free(subtitle); free(title); break; } } } } static void aw_status_kill(AW_window *aws) { if (aw_stg.mode == AW_STATUS_ABORT){ aw_status_timer_event( aws->get_root(), 0, 0); if (aw_stg.mode == AW_STATUS_OK) { // continue return; } } else { if (!aw_ask_sure("Are you sure to abort running calculation?")) { return; // don't abort } aw_stg.mode = AW_STATUS_ABORT; } aw_status_write(aw_stg.fd_from[1], aw_stg.mode); /** install timer event **/ if (aw_stg.mode == AW_STATUS_ABORT) { #if defined(TRACE_STATUS_MORE) fprintf(stderr, "add aw_status_timer_event with delay = %i\n", AW_STATUS_KILL_DELAY); fflush(stdout); #endif // TRACE_STATUS_MORE aws->get_root()->add_timed_callback(AW_STATUS_KILL_DELAY, aw_status_timer_event, 0, 0); } } static void aw_refresh_tmp_message_display(AW_root *awr) { GBS_strstruct *stru = GBS_stropen(AW_MESSAGE_LINES*60); // guessed size for (int i = AW_MESSAGE_LINES-1; i>=0; i--){ if (aw_stg.lines[i]) { GBS_strcat(stru,aw_stg.lines[i]); GBS_chrcat(stru,'\n'); } }; char *str = GBS_strclose(stru); awr->awar(AWAR_ERROR_MESSAGES)->write_string(str); free(str); aw_stg.need_refresh = false; aw_stg.last_refresh_time = aw_stg.last_message_time; } static void aw_insert_message_in_tmp_message_delayed(const char *message) { free(aw_stg.lines[0]); for (int i = 1; i< AW_MESSAGE_LINES; i++){ aw_stg.lines[i-1] = aw_stg.lines[i]; }; time_t t = time(0); struct tm *lt = localtime(&t); const char *lf = strchr(message, '\n'); char *copy = 0; if (lf) { // contains linefeeds const int indentation = 10; int count = 1; while (lf) { lf = strchr(lf+1, '\n'); ++count; } int newsize = strlen(message)+count*indentation+1; copy = (char*)malloc(newsize); lf = strchr(message, '\n'); char *cp = copy; while (lf) { int len = lf-message; memcpy(cp, message, len+1); cp += len+1; memset(cp, ' ', indentation); cp += indentation; message = lf+1; lf = strchr(message, '\n'); } strcpy(cp, message); message = copy; } aw_stg.lines[AW_MESSAGE_LINES-1] = GBS_global_string_copy("%02i:%02i.%02i %s", lt->tm_hour, lt->tm_min, lt->tm_sec, message); aw_stg.last_message_time = t; free(copy); // aw_stg.line_cnt++; aw_stg.need_refresh = true; } static void aw_insert_message_in_tmp_message(AW_root *awr,const char *message) { aw_insert_message_in_tmp_message_delayed(message); aw_refresh_tmp_message_display(awr); } inline const char *sec2disp(long seconds) { static char buffer[50]; if (seconds<0) seconds = 0; if (seconds<100) { sprintf(buffer, "%li sec", seconds); } else { long minutes = (seconds+30)/60; if (minutes<60) { sprintf(buffer, "%li min", minutes); } else { long hours = minutes/60; minutes = minutes%60; sprintf(buffer, "%lih:%02li min", hours, minutes); } } return buffer; } #ifdef ARB_LOGGING static void aw_status_append_to_log(const char* str) { static const char *logname = 0; if (!logname) { logname = GBS_global_string_copy("%s/arb.log", GB_getenvHOME()); } int fd = open(logname, O_WRONLY|O_APPEND); if (fd == -1) fd = open(logname, O_CREAT|O_WRONLY|O_APPEND, S_IWUSR | S_IRUSR); if (fd == -1) return; write(fd, str, strlen(str)); write(fd, "\n", 1); close(fd); } #endif static void aw_status_timer_listen_event(AW_root *awr, AW_CL, AW_CL) { static int delay = AW_STATUS_LISTEN_DELAY; int cmd; char *str = 0; int gaugeValue = 0; #if defined(TRACE_STATUS_MORE) fprintf(stderr, "in aw_status_timer_listen_event (aw_stg.is_child=%i)\n", (int)aw_stg.is_child); fflush(stdout); #endif // TRACE_STATUS_MORE if (aw_stg.need_refresh && aw_stg.last_refresh_time != aw_stg.last_message_time) { aw_refresh_tmp_message_display(awr); // force refresh each second } cmd = aw_status_read_command( aw_stg.fd_to[0], 1, str, &gaugeValue); if (cmd == EOF){ aw_status_check_pipe(); delay = delay*3/2+1; // wait a longer time if (aw_stg.need_refresh) aw_refresh_tmp_message_display(awr); // and do the refresh here } else { delay = delay*2/3+1; // shorten time (was *2/3+1) } char *gauge = 0; while (cmd != EOF) { switch(cmd) { case AW_STATUS_CMD_OPEN: #if defined(TRACE_STATUS) fprintf(stderr, "received AW_STATUS_CMD_OPEN\n"); fflush(stdout); #endif // TRACE_STATUS aw_stg.mode = AW_STATUS_OK; aw_stg.last_start = time(0); aw_stg.last_est_count = 0; aw_stg.last_used_est = -1; aw_stg.aws->show(); aw_stg.hide = 0; aw_stg.hide_delay = AW_STATUS_HIDE_DELAY; #if defined(ARB_LOGGING) aw_status_append_to_log("----------------------------"); #endif // ARB_LOGGING awr->awar(AWAR_STATUS_TITLE)->write_string(str); awr->awar(AWAR_STATUS_GAUGE)->write_string("----------------------------"); awr->awar(AWAR_STATUS_TEXT)->write_string(""); awr->awar(AWAR_STATUS_ELAPSED)->write_string(""); cmd = EOF; free(str); continue; // break while loop case AW_STATUS_CMD_CLOSE: #if defined(TRACE_STATUS) fprintf(stderr, "received AW_STATUS_CMD_CLOSE\n"); fflush(stdout); #endif // TRACE_STATUS aw_stg.mode = AW_STATUS_OK; aw_stg.aws->hide(); break; case AW_STATUS_CMD_TEXT: #if defined(TRACE_STATUS) fprintf(stderr, "received AW_STATUS_CMD_TEXT\n"); fflush(stdout); #endif // TRACE_STATUS #if defined(ARB_LOGGING) aw_status_append_to_log(str); #endif // ARB_LOGGING awr->awar(AWAR_STATUS_TEXT)->write_string(str); break; case AW_STATUS_CMD_GAUGE: { #if defined(TRACE_STATUS) fprintf(stderr, "received AW_STATUS_CMD_GAUGE\n"); fflush(stdout); #endif // TRACE_STATUS reassign(gauge, str); if (gaugeValue>0) { long sec_elapsed = time(0)-aw_stg.last_start; long sec_estimated = (sec_elapsed*AW_GAUGE_GRANULARITY)/gaugeValue; // guess overall time #define PRINT_MIN_GAUGE AW_GAUGE_PERCENT(2) char buffer[200]; int off = 0; off += sprintf(buffer+off, "%i%% ", gaugeValue*100/AW_GAUGE_GRANULARITY); off += sprintf(buffer+off, "Elapsed: %s ", sec2disp(sec_elapsed)); // rotate estimations memmove(aw_stg.last_estimation, aw_stg.last_estimation+1, sizeof(aw_stg.last_estimation[0])*(AW_EST_BUFFER-1)); aw_stg.last_estimation[AW_EST_BUFFER-1] = sec_estimated; if (aw_stg.last_est_count == AW_EST_BUFFER) { // now we can estimate! long used_estimation = 0; int i; for (i = 0; iawar(AWAR_STATUS_ELAPSED)->write_string(buffer); #if defined(TRACE_STATUS) fprintf(stderr, "gauge=%i\n", gaugeValue); fflush(stdout); #endif // TRACE_STATUS } else if (gaugeValue == 0) { // restart timer aw_stg.last_start = time(0); aw_stg.last_est_count = 0; aw_stg.last_used_est = 0; #if defined(TRACE_STATUS) fprintf(stderr, "reset status timer (gauge=0)\n"); fflush(stdout); #endif // TRACE_STATUS } break; } case AW_STATUS_CMD_MESSAGE: #if defined(TRACE_STATUS) fprintf(stderr, "received AW_STATUS_CMD_MESSAGE\n"); fflush(stdout); #endif // TRACE_STATUS #if defined(ARB_LOGGING) aw_status_append_to_log(str); #endif // ARB_LOGGING aw_stg.awm->activate(); aw_insert_message_in_tmp_message_delayed(str); break; default: break; } free(str); cmd = aw_status_read_command( aw_stg.fd_to[0],1,str, &gaugeValue); } #if defined(TRACE_STATUS_MORE) fprintf(stderr, "exited while loop\n"); fflush(stdout); #endif // TRACE_STATUS_MORE if (gauge){ awr->awar(AWAR_STATUS_GAUGE)->write_string(gauge); free(gauge); } if (delay>AW_STATUS_LISTEN_DELAY) delay = AW_STATUS_LISTEN_DELAY; else if (delay<0) delay = 0; #if defined(TRACE_STATUS_MORE) fprintf(stderr, "add aw_status_timer_listen_event with delay = %i\n", delay); fflush(stdout); #endif // TRACE_STATUS_MORE awr->add_timed_callback_never_disabled(delay,aw_status_timer_listen_event, 0, 0); } void aw_clear_message_cb(AW_window *aww) { int i; AW_root *awr = aww->get_root(); for (i = 0; i< AW_MESSAGE_LINES; i++) freeset(aw_stg.lines[i], 0); awr->awar(AWAR_ERROR_MESSAGES)->write_string("" ); } static void aw_clear_and_hide_message_cb(AW_window *aww) { aw_clear_message_cb(aww); AW_POPDOWN(aww); } void aw_initstatus( void ) { int error; aw_assert(aw_stg.pid == 0); // do not init status twice! error = pipe(aw_stg.fd_to); if (error) { printf("Cannot create socketpair\n"); exit(-1); } error = pipe(aw_stg.fd_from); if (error) { printf("Cannot create socketpair\n"); exit(-1); } aw_stg.pid = getpid(); GB_install_pid(1); pid_t clientid = fork(); if (clientid) { /* i am the father */ #if defined(TRACE_STATUS) fprintf(stderr, "Forked status! (i am the father)\n"); fflush(stderr); #endif // TRACE_STATUS return; } else { GB_install_pid(1); #if defined(TRACE_STATUS) fprintf(stderr, "Forked status! (i am the child)\n"); fflush(stderr); #endif // TRACE_STATUS aw_stg.is_child = true; // mark as child // aw_status_wait_for_open(aw_stg.fd_to[0]); AW_root *aw_root; aw_root = new AW_root; AW_default aw_default = aw_root->open_default(".arb_prop/status.arb"); aw_root->init_variables(aw_default); aw_root->awar_string( AWAR_STATUS_TITLE,"------------------------------------",aw_default); aw_root->awar_string( AWAR_STATUS_TEXT,"",aw_default); aw_root->awar_string( AWAR_STATUS_GAUGE,"------------------------------------",aw_default); aw_root->awar_string( AWAR_STATUS_ELAPSED,"",aw_default); aw_root->awar_string( AWAR_ERROR_MESSAGES,"",aw_default); aw_root->init_root("ARB_STATUS", true); AW_window_simple *aws = new AW_window_simple; aws->init( aw_root, "STATUS_BOX", "STATUS BOX"); aws->load_xfig("status.fig"); aws->button_length(AW_GAUGE_SIZE+4); aws->at("Titel"); aws->create_button(0,AWAR_STATUS_TITLE); aws->at("Text"); aws->create_button(0,AWAR_STATUS_TEXT); aws->at("Gauge"); aws->create_button(0,AWAR_STATUS_GAUGE); aws->at("elapsed"); aws->create_button(0,AWAR_STATUS_ELAPSED); aws->at("Hide"); aws->callback(aw_status_hide); aws->create_button("HIDE", "Hide", "h"); aws->at("Kill"); aws->callback(aw_status_kill); aws->create_button("ABORT", "Abort", "k"); aw_stg.hide = 0; aw_stg.aws = aws; AW_window_simple *awm = new AW_window_simple; awm->init( aw_root, "MESSAGE_BOX", "MESSAGE BOX"); awm->load_xfig("message.fig"); awm->at("Message"); awm->create_text_field(AWAR_ERROR_MESSAGES,10,2); awm->at("Hide"); awm->callback(AW_POPDOWN); awm->create_button("HIDE","Hide", "h"); awm->at("Clear"); awm->callback(aw_clear_message_cb); awm->create_button("CLEAR", "Clear","C"); awm->at("HideNClear"); awm->callback(aw_clear_and_hide_message_cb); awm->create_button("HIDE_CLEAR", "Ok","O"); aw_stg.awm = awm; #if defined(TRACE_STATUS) fprintf(stderr, "Created status window!\n"); fflush(stderr); #endif // TRACE_STATUS aw_status_wait_for_open(aw_stg.fd_to[0]); // install callback aws->get_root()->add_timed_callback_never_disabled(30, aw_status_timer_listen_event, 0, 0); // use short delay for first callback aw_root->main_loop(); // never returns } } void aw_openstatus( const char *title ) { aw_stg.mode = AW_STATUS_OK; if ( !aw_stg.status_initialized) { aw_stg.status_initialized = true; aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_INIT); } aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_OPEN); safe_write(aw_stg.fd_to[1], title, strlen(title)+1 ); } void aw_closestatus( void ) { aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_CLOSE); } int aw_status( const char *text ) { if (!text) text = ""; aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_TEXT); int len = strlen(text)+1; safe_write(aw_stg.fd_to[1], text, len ); return aw_status(); } #ifdef __cplusplus extern "C" { #endif int aw_status( double gauge ) { static int last_val = -1; int val = (int)(gauge*AW_GAUGE_GRANULARITY); if (val != last_val) { if (val>0 || gauge == 0.0) { // dont write 0 on low gauge (cause 0 resets the timer) aw_assert(gauge <= 1.0); // please fix the gauge calculation in caller! aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_GAUGE); safe_write(aw_stg.fd_to[1], (char*)&val, sizeof(int)); } last_val = val; } return aw_status(); } #ifdef __cplusplus } #endif int aw_status( void ) { char *str = 0; int cmd; if (aw_stg.mode == AW_STATUS_ABORT) return AW_STATUS_ABORT; for ( cmd = 0; cmd != EOF; cmd = aw_status_read_command(aw_stg.fd_from[0],1,str)){ delete str; if (cmd == AW_STATUS_ABORT) aw_stg.mode = AW_STATUS_ABORT; } return aw_stg.mode; } /***********************************************************************/ /***************** AW_MESSAGE *******************/ /***********************************************************************/ int aw_message_cb_result; void message_cb( AW_window *aw, AW_CL cd1 ) { AWUSE(aw); long result = (long)cd1; if ( result == -1 ) { /* exit */ exit(EXIT_FAILURE); } aw_message_cb_result = ((int)result); return; } void aw_message_timer_listen_event(AW_root *awr, AW_CL cl1, AW_CL cl2) { #if defined(TRACE_STATUS_MORE) fprintf(stderr, "in aw_message_timer_listen_event\n"); fflush(stdout); #endif // TRACE_STATUS_MORE AW_window *aww = ((AW_window *)cl1); if (aww->is_shown()) { // if still shown, then auto-activate to avoid that user minimizes prompter aww->activate(); awr->add_timed_callback_never_disabled(AW_MESSAGE_LISTEN_DELAY, aw_message_timer_listen_event, cl1, cl2); } } void aw_set_local_message(){ aw_stg.local_message = 1; } bool aw_ask_sure(const char *msg, bool fixedSizeButtons, const char *helpfile) { return aw_question(msg, "Yes,No", fixedSizeButtons, helpfile) == 0; } void aw_popup_ok(const char *msg, bool fixedSizeButtons, const char *helpfile) { aw_question(msg, "Ok", fixedSizeButtons, helpfile); } void aw_popup_exit(const char *msg, bool fixedSizeButtons, const char *helpfile) { aw_question(msg, "EXIT", fixedSizeButtons, helpfile); aw_assert(0); // should not be reached exit(EXIT_FAILURE); } int aw_question(const char *question, const char *buttons, bool fixedSizeButtons, const char *helpfile) { // return 0 for first button, 1 for second button, 2 for third button, ... // // the single buttons are seperated by kommas (e.g. "YES,NO") // If the button-name starts with ^ it starts a new row of buttons // (if a button named 'EXIT' is pressed the program terminates using exit(EXIT_FAILURE)) // // The remaining arguments only apply if 'buttons' is non-zero: // // If fixedSizeButtons is true all buttons have the same size // otherwise the size for every button is set depending on the text length // // If 'helpfile' is non-zero a HELP button is added. aw_assert(buttons); AW_root *root = AW_root::THIS; AW_window_message *aw_msg; char *button_list = strdup(buttons ? buttons : "OK"); if (button_list[0] == 0) { freedup(button_list, "Maybe ok,EXIT"); GBK_dump_backtrace(stderr, "Empty buttonlist"); question = GBS_global_string_copy("%s\n" "(Program error - Unsure what happens when you click ok\n" " Check console for backtrace and report error)", question); } AW_awar *awar_quest = root->awar_string(AWAR_QUESTION); if (!question) question = ""; awar_quest->write_string(question); size_t question_length, question_lines; aw_detect_text_size(question, question_length, question_lines); // hash key to find matching window char *hindex = GBS_global_string_copy("%s$%zu$%zu$%i$%s", button_list, question_length, question_lines, int(fixedSizeButtons), helpfile ? helpfile : ""); static GB_HASH *hash_windows = 0; if (!hash_windows) hash_windows = GBS_create_hash(256, GB_MIND_CASE); aw_msg = (AW_window_message *)GBS_read_hash(hash_windows, hindex); #if defined(DEBUG) printf("question_length=%zu question_lines=%zu\n", question_length, question_lines); printf("hindex='%s'\n", hindex); if (aw_msg) printf("[Reusing existing aw_question-window]\n"); #endif // DEBUG if (!aw_msg) { aw_msg = new AW_window_message; GBS_write_hash(hash_windows, hindex, (long)aw_msg); aw_msg->init( root, "QUESTION BOX", false); aw_msg->recalc_size_at_show = 1; // force size recalc (ignores user size) aw_msg->label_length( 10 ); aw_msg->at( 10, 10 ); aw_msg->auto_space( 10, 10 ); aw_msg->button_length(question_length+1); aw_msg->button_height(question_lines); aw_msg->create_button(0, AWAR_QUESTION); aw_msg->button_height(0); aw_msg->at_newline(); if (fixedSizeButtons) { size_t max_button_length = helpfile ? 4 : 0; char *pos = button_list; while (1) { char *komma = strchr(pos, ','); if (!komma) komma = strchr(pos, 0); size_t len = komma-pos; if (len>max_button_length) max_button_length = len; if (!komma[0]) break; pos = komma+1; } aw_msg->button_length(max_button_length+1); } else { aw_msg->button_length(0); } // insert the buttons: char *ret = strtok( button_list, "," ); bool help_button_done = false; int counter = 0; while( ret ) { if (ret[0] == '^') { if (helpfile && !help_button_done) { aw_msg->callback(AW_POPUP_HELP,(AW_CL)helpfile); aw_msg->create_button("HELP", "HELP", "H"); help_button_done = true; } aw_msg->at_newline(); ++ret; } if (strcmp(ret, "EXIT") == 0) { aw_msg->callback(message_cb, -1); } else { aw_msg->callback(message_cb, (AW_CL)counter++); } if (fixedSizeButtons) { aw_msg->create_button( 0,ret); } else { aw_msg->create_autosize_button( 0,ret); } ret = strtok( NULL, "," ); } if (helpfile && !help_button_done) { // if not done above aw_msg->callback(AW_POPUP_HELP,(AW_CL)helpfile); aw_msg->create_button("HELP", "HELP", "H"); help_button_done = true; } aw_msg->window_fit(); aw_msg->align(); } free(hindex); aw_msg->show_grabbed(); free(button_list); aw_message_cb_result = -13; #if defined(TRACE_STATUS_MORE) fprintf(stderr, "add aw_message_timer_listen_event with delay = %i\n", AW_MESSAGE_LISTEN_DELAY); fflush(stdout); #endif // TRACE_STATUS_MORE root->add_timed_callback_never_disabled(AW_MESSAGE_LISTEN_DELAY, aw_message_timer_listen_event, (AW_CL)aw_msg, 0); root->disable_callbacks = true; while (aw_message_cb_result == -13) { root->process_events(); } root->disable_callbacks = false; aw_msg->hide(); switch ( aw_message_cb_result ) { case -1: /* exit with core */ fprintf(stderr, "Core dump requested\n"); ARB_SIGSEGV(1); break; case -2: /* exit without core */ exit( -1 ); break; } return aw_message_cb_result; } void aw_message(const char *msg) { #if defined(DEBUG) printf("aw_message: '%s'\n", msg); #endif // DEBUG if (aw_stg.local_message) { aw_insert_message_in_tmp_message(AW_root::THIS,msg); } else { if (!aw_stg.status_initialized) { aw_stg.status_initialized = true; aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_INIT); } aw_status_write(aw_stg.fd_to[1], AW_STATUS_CMD_MESSAGE); int len = strlen(msg)+1; safe_write(aw_stg.fd_to[1], msg, len); } } char AW_ERROR_BUFFER[1024]; void aw_message() { aw_message(AW_ERROR_BUFFER); } void aw_error(const char *text,const char *text2){ char buffer[1024]; sprintf(buffer,"An internal error occur:\n\n%s %s\n\nYou may:",text,text2); aw_question(buffer,"Continue,EXIT"); } /***********************************************************************/ /***************** AW_INPUT *******************/ /***********************************************************************/ char *aw_input_cb_result = 0; static int aw_string_selected_button = -2; int aw_string_selection_button() { aw_assert(aw_string_selected_button != -2); return aw_string_selected_button; } #define AW_INPUT_AWAR "tmp/input/string" #define AW_INPUT_TITLE_AWAR "tmp/input/title" static void create_input_awars(AW_root *aw_root) { aw_root->awar_string(AW_INPUT_TITLE_AWAR, "", AW_ROOT_DEFAULT); aw_root->awar_string(AW_INPUT_AWAR, "", AW_ROOT_DEFAULT); } // ------------------------- // aw_input history static deque input_history; // front contains newest entries #if defined(DEBUG) // # define TRACE_HISTORY #endif // DEBUG #if defined(TRACE_HISTORY) static void dumpHistory(const char *where) { printf("History [%s]:\n", where); for (deque::iterator h = input_history.begin(); h != input_history.end(); ++h) { printf("'%s'\n", h->c_str()); } } #endif // TRACE_HISTORY static void input_history_insert(const char *str, bool front) { string s(str); if (input_history.empty()) { input_history.push_front(""); // insert an empty string into history } else { deque::iterator found = find(input_history.begin(), input_history.end(), s); if (found != input_history.end()) { input_history.erase(found); } } if (front) { input_history.push_front(s); } else { input_history.push_back(s); } #if defined(TRACE_HISTORY) dumpHistory(GBS_global_string("input_history_insert('%s', front=%i)", str, front)); #endif // TRACE_HISTORY } void input_history_cb(AW_window *aw, AW_CL cl_mode) { int mode = (int)cl_mode; // -1 = '<' +1 = '>' AW_root *aw_root = aw->get_root(); AW_awar *awar = aw_root->awar(AW_INPUT_AWAR); char *content = awar->read_string(); if (content) input_history_insert(content, mode == 1); if (!input_history.empty()) { if (mode == -1) { string s = input_history.front(); awar->write_string(s.c_str()); input_history.pop_front(); input_history.push_back(s); } else { string s = input_history.back(); awar->write_string(s.c_str()); input_history.pop_back(); input_history.push_front(s); } } #if defined(TRACE_HISTORY) dumpHistory(GBS_global_string("input_history_cb(mode=%i)", mode)); #endif // TRACE_HISTORY free(content); } void input_cb(AW_window *aw, AW_CL cd1) { // any previous contents were passed to client (who is responsible to free the resources) // so DONT free aw_input_cb_result here: aw_input_cb_result = 0; aw_string_selected_button = int(cd1); if (cd1 >= 0) { // <0 = cancel button -> no result // create heap-copy of result -> client will get the owner aw_input_cb_result = aw->get_root()->awar(AW_INPUT_AWAR)->read_as_string(); } } #define INPUT_SIZE 50 // size of input prompts in aw_input and aw_string_selection static AW_window_message *new_input_window(AW_root *root, const char *title, const char *buttons) { // helper for aw_input and aw_string_selection AW_window_message *aw_msg = new AW_window_message; aw_msg->init(root, title, false); aw_msg->label_length(0); aw_msg->auto_space(10, 10); aw_msg->at(10, 10); aw_msg->button_length(INPUT_SIZE+1); aw_msg->create_button(0, AW_INPUT_TITLE_AWAR); aw_msg->at_newline(); aw_msg->create_input_field(AW_INPUT_AWAR, INPUT_SIZE); int butCount = 2; // ok and cancel char **button_names = 0; int maxlen = 6; // use as min.length for buttons (for 'CANCEL') if (buttons) { button_names = GBT_split_string(buttons, ',', &butCount); for (int b = 0; bmaxlen) maxlen = len; } } aw_msg->button_length(maxlen+1); aw_msg->at_newline(); aw_msg->callback(input_history_cb, -1); aw_msg->create_button("bwd", "<<", 0); aw_msg->callback(input_history_cb, 1); aw_msg->create_button("fwd", ">>", 0); if (butCount>3) aw_msg->at_newline(); // approx. 5 buttons (2+3) fit into one line if (buttons) { for (int b = 0; bcallback(input_cb, b); // use b == 0 as result for 1st button, 1 for 2nd button, etc. aw_msg->create_button(button_names[b], button_names[b], ""); } GBT_free_names(button_names); button_names = 0; } else { aw_msg->callback(input_cb, 0); aw_msg->create_button("OK", "OK", "O"); aw_msg->callback(input_cb, -1); aw_msg->create_button("CANCEL", "CANCEL", "C"); } return aw_msg; } char *aw_input(const char *title, const char *prompt, const char *default_input) { // prompt user to enter a string // // title = title of window // prompt = question // default_input = default for answer (NULL -> "") // // result is NULL, if cancel was pressed // otherwise result contains the user input (maybe an empty string) static AW_window_message *aw_msg = 0; AW_root *root = AW_root::THIS; if (!aw_msg) create_input_awars(root); // first call -> create awars root->awar(AW_INPUT_TITLE_AWAR)->write_string(prompt); aw_assert(strlen(prompt) <= INPUT_SIZE); AW_awar *inAwar = root->awar(AW_INPUT_AWAR); if (default_input) { input_history_insert(default_input, true); // insert default into history inAwar->write_string(default_input); } else { inAwar->write_string(""); } aw_assert(GB_get_transaction_level(inAwar->gb_var) <= 0); // otherwise history would not work if (!aw_msg) { aw_msg = new_input_window(root, title, NULL); aw_msg->window_fit(); } else { aw_msg->set_window_title(title); aw_msg->window_fit(); } aw_msg->window_fit(); aw_msg->show_grabbed(); char dummy[] = ""; aw_input_cb_result = dummy; root->add_timed_callback_never_disabled(AW_MESSAGE_LISTEN_DELAY, aw_message_timer_listen_event, (AW_CL)aw_msg, 0); root->disable_callbacks = true; while (aw_input_cb_result == dummy) { root->process_events(); } root->disable_callbacks = false; aw_msg->hide(); if (aw_input_cb_result) input_history_insert(aw_input_cb_result, true); return aw_input_cb_result; } char *aw_input(const char *prompt, const char *default_input) { return aw_input("Enter string", prompt, default_input); } char *aw_input2awar(const char *title, const char *prompt, const char *awar_name) { AW_root *aw_root = AW_root::THIS; AW_awar *awar = aw_root->awar(awar_name); char *default_value = awar->read_string(); char *result = aw_input(title, prompt, default_value); awar->write_string(result); free(default_value); return result; } char *aw_input2awar(const char *prompt, const char *awar_name) { return aw_input2awar("Enter string", prompt, awar_name); } char *aw_string_selection(const char *title, const char *prompt, const char *default_input, const char *value_list, const char *buttons, char *(*check_fun)(const char*)) { // A modal input window. A String may be entered by hand or selected from value_list // // title window title // prompt prompt at input field // default_input default value (if NULL => ""). // value_list Existing selections (seperated by ';') or NULL if no selection exists // buttons String containing answer button names separated by ',' (default is "OK,Cancel") // Use aw_string_selected_button() to detect which has been pressed. // check_fun function to correct input (or NULL for no check). The function may return NULL to indicate no correction // // returns the value of the inputfield static GB_HASH *str_sels = 0; // for each 'buttons' store window + selection list if (!str_sels) str_sels = GBS_create_hash(20, GB_MIND_CASE); struct str_sel_data { AW_window_message *aw_msg; AW_selection_list *sel; }; const char *bkey = buttons ? buttons : ",default,"; str_sel_data *sd = (str_sel_data*)GBS_read_hash(str_sels, bkey); if (!sd) { sd = new str_sel_data; sd->aw_msg = 0; sd->sel = 0; GBS_write_hash(str_sels, bkey, (long)sd); } AW_window_message *& aw_msg = sd->aw_msg; AW_selection_list *& sel = sd->sel; AW_root *root = AW_root::THIS; if (!aw_msg) create_input_awars(root); // first call -> create awars root->awar(AW_INPUT_TITLE_AWAR)->write_string(prompt); aw_assert(strlen(prompt) <= INPUT_SIZE); AW_awar *inAwar = root->awar(AW_INPUT_AWAR); if (default_input) { input_history_insert(default_input, true); // insert default into history inAwar->write_string(default_input); } else { inAwar->write_string(""); } aw_assert(GB_get_transaction_level(inAwar->gb_var) <= 0); // otherwise history would not work if (!aw_msg) { aw_msg = new_input_window(root, title, buttons); aw_msg->at_newline(); sel = aw_msg->create_selection_list(AW_INPUT_AWAR, 0, 0, INPUT_SIZE, 10); aw_msg->insert_default_selection(sel, "", ""); aw_msg->update_selection_list(sel); } else { aw_msg->set_window_title(title); } aw_msg->window_fit(); // update the selection box : aw_assert(sel); aw_msg->clear_selection_list(sel); if (value_list) { char *values = strdup(value_list); char *word; for (word = strtok(values, ";"); word; word = strtok(0, ";")) { aw_msg->insert_selection(sel, word, word); } free(values); } aw_msg->insert_default_selection(sel, "", ""); aw_msg->update_selection_list(sel); // do modal loop : aw_msg->show_grabbed(); char dummy[] = ""; aw_input_cb_result = dummy; root->add_timed_callback_never_disabled(AW_MESSAGE_LISTEN_DELAY, aw_message_timer_listen_event, (AW_CL)aw_msg, 0); root->disable_callbacks = true; char *last_input = root->awar(AW_INPUT_AWAR)->read_string(); while (aw_input_cb_result == dummy) { root->process_events(); char *this_input = root->awar(AW_INPUT_AWAR)->read_string(); if (strcmp(this_input, last_input) != 0) { if (check_fun) { char *corrected_input = check_fun(this_input); if (corrected_input) { if (strcmp(corrected_input, this_input) != 0) { root->awar(AW_INPUT_AWAR)->write_string(corrected_input); } free(corrected_input); } } reassign(last_input, this_input); } free(this_input); if (!aw_msg->is_shown()) { // somebody hided/closed the window input_cb(aw_msg, (AW_CL)-1); // CANCEL break; } } free(last_input); root->disable_callbacks = false; aw_msg->hide(); return aw_input_cb_result; } char *aw_string_selection2awar(const char *title, const char *prompt, const char *awar_name, const char *value_list, const char *buttons, char *(*check_fun)(const char*)) { // params see aw_string_selection // default_value is taken from and result is written back to awar 'awar_name' AW_root *aw_root = AW_root::THIS; AW_awar *awar = aw_root->awar(awar_name); char *default_value = awar->read_string(); char *result = aw_string_selection(title, prompt, default_value, value_list, buttons, check_fun); awar->write_string(result); free(default_value); return result; } /***********************************************************************/ /***************** AW_FILESELECTION *******************/ /***********************************************************************/ #define AW_FILE_SELECT_DIR_AWAR "tmp/file_select/directory" #define AW_FILE_SELECT_FILE_AWAR "tmp/file_select/file_name" #define AW_FILE_SELECT_FILTER_AWAR "tmp/file_select/filter" #define AW_FILE_SELECT_TITLE_AWAR "tmp/file_select/title" #if defined(DEVEL_RALF) #warning aw_file_selection is unused. it is thought to work as 'Browse' button at places where currently a plain input field is used to enter filenames #endif // DEVEL_RALF char *aw_file_selection( const char *title, const char *dir, const char *def_name, const char *suffix ) { aw_assert(0); // function is not used yet AW_root *root = AW_root::THIS; static AW_window_message *aw_msg = 0; root->awar_string(AW_FILE_SELECT_TITLE_AWAR)->write_string((char *)title); root->awar_string(AW_FILE_SELECT_DIR_AWAR)->write_string((char *)dir); root->awar_string(AW_FILE_SELECT_FILE_AWAR)->write_string((char *)def_name); root->awar_string(AW_FILE_SELECT_FILTER_AWAR)->write_string((char *)suffix); if (!aw_msg) { aw_msg = new AW_window_message; aw_msg->init( root, "ENTER A STRING", false); aw_msg->label_length( 0 ); aw_msg->button_length( 30 ); aw_msg->at( 10, 10 ); aw_msg->auto_space( 10, 10 ); aw_msg->create_button( 0,AW_FILE_SELECT_TITLE_AWAR ); aw_msg->at_newline(); // awt_create_selection_box(aw_msg,"tmp/file_select",80,30); aw_msg->at_newline(); aw_msg->button_length( 0 ); aw_msg->callback ( input_cb, 0 ); aw_msg->create_button( "OK", "OK", "O" ); aw_msg->callback ( input_cb, -1 ); aw_msg->create_button( "CANCEL", "CANCEL", "C" ); aw_msg->window_fit(); } aw_msg->show_grabbed(); char dummy[] = ""; aw_input_cb_result = dummy; root->add_timed_callback_never_disabled(AW_MESSAGE_LISTEN_DELAY, aw_message_timer_listen_event, (AW_CL)aw_msg, 0); root->disable_callbacks = true; while (aw_input_cb_result == dummy) { root->process_events(); } root->disable_callbacks = false; aw_msg->hide(); return aw_input_cb_result; } /***********************************************************************/ /********************** HELP WINDOW ************************/ /***********************************************************************/ struct aw_help_global_struct { AW_window *aww; AW_selection_list *upid; AW_selection_list *downid; char *history; } aw_help_global; // --------------------------------------------------------------------------------------------------------- // static char *get_full_qualified_help_file_name(const char *helpfile, bool path_for_edit = false) // --------------------------------------------------------------------------------------------------------- static char *get_full_qualified_help_file_name(const char *helpfile, bool path_for_edit = false) { GB_CSTR result = 0; char *user_doc_path = strdup(GB_getenvDOCPATH()); char *devel_doc_path = strdup(GB_path_in_ARBHOME("HELP_SOURCE/oldhelp", NULL)); size_t user_doc_path_len = strlen(user_doc_path); size_t devel_doc_path_len = strlen(devel_doc_path); const char *rel_path = 0; if (strncmp(helpfile, user_doc_path, user_doc_path_len) == 0 && helpfile[user_doc_path_len] == '/') { rel_path = helpfile+user_doc_path_len+1; } else if (strncmp(helpfile, devel_doc_path, devel_doc_path_len) == 0 && helpfile[devel_doc_path_len] == '/') { aw_assert(0); // when does this happen ? never ? rel_path = helpfile+devel_doc_path_len+1; } if (helpfile[0]=='/' && !rel_path) { result = GBS_global_string("%s", helpfile); } else { if (!rel_path) rel_path = helpfile; if (rel_path[0]) { if (path_for_edit) { #if defined(DEBUG) char *gen_doc_path = strdup(GB_path_in_ARBHOME("HELP_SOURCE/genhelp", NULL)); char *devel_source = GBS_global_string_copy("%s/%s", devel_doc_path, rel_path); char *gen_source = GBS_global_string_copy("%s/%s", gen_doc_path, rel_path); int devel_size = GB_size_of_file(devel_source); int gen_size = GB_size_of_file(gen_source); gb_assert(devel_size <= 0 || gen_size <= 0); // only one of them shall exist if (gen_size>0) { result = GBS_global_string("%s", gen_source); // edit generated doc } else { result = GBS_global_string("%s", devel_source); // use normal help source (may be non-existing) } free(gen_source); free(devel_source); free(gen_doc_path); #else result = GBS_global_string("%s/%s", GB_getenvDOCPATH(), rel_path); // use real help file in RELEASE #endif // DEBUG } else { result = GBS_global_string("%s/%s", GB_getenvDOCPATH(), rel_path); } } else { result = ""; } } free(devel_doc_path); free(user_doc_path); return strdup(result); } static char *get_full_qualified_help_file_name(AW_root *awr, bool path_for_edit = false) { char *helpfile = awr->awar("tmp/aw_window/helpfile")->read_string(); char *qualified = get_full_qualified_help_file_name(helpfile, path_for_edit); free(helpfile); return qualified; } static char *get_local_help_url(AW_root *awr) { char *helpfile = get_full_qualified_help_file_name(awr, false); char *user_doc_path = strdup(GB_getenvDOCPATH()); char *user_htmldoc_path = strdup(GB_getenvHTMLDOCPATH()); size_t user_doc_path_len = strlen(user_doc_path); char *result = 0; if (strncmp(helpfile, user_doc_path, user_doc_path_len) == 0) { // "real" help file result = GBS_global_string_copy("%s%s_", user_htmldoc_path, helpfile+user_doc_path_len); size_t result_len = strlen(result); aw_assert(result_len > 5); if (strcmp(result+result_len-5, ".hlp_") == 0) { strcpy(result+result_len-5, ".html"); } else { freeset(result, 0); GB_export_error("Can't browse that file type."); } } else { // on-the-fly-generated help file (e.g. search help) GB_export_error("Can't browse temporary help node"); } free(user_htmldoc_path); free(user_doc_path); free(helpfile); return result; } static void aw_help_edit_help(AW_window *aww) { char *helpfile = get_full_qualified_help_file_name(aww->get_root(), true); if (GB_size_of_file(helpfile)<=0){ #if defined(DEBUG) const char *base = GB_path_in_ARBHOME("HELP_SOURCE/oldhelp", NULL); #else const char *base = GB_path_in_ARBLIB("help", NULL); #endif // DEBUG const char *copy_cmd = GBS_global_string("cp %s/FORM.hlp %s", base, helpfile); printf("[Executing '%s']\n", copy_cmd); system(copy_cmd); } AWT_edit(helpfile); free(helpfile); } static char *aw_ref_to_title(char *ref) { if (!ref) return 0; if (GBS_string_matches(ref,"*.ps",GB_IGNORE_CASE)) { // Postscript file return GBS_global_string_copy("Postscript: %s",ref); } char *result = 0; char *file = 0; { char *helpfile = get_full_qualified_help_file_name(ref); file = GB_read_file(helpfile); free(helpfile); } if (file) { result = GBS_string_eval(file,"*\nTITLE*\n*=*2:\t=",0); if (strcmp(file, result)==0) freeset(result, 0); free(file); } if (result==0) { result = strdup(ref); } return result; } static void aw_help_select_newest_in_history(AW_root *aw_root) { char *history = aw_help_global.history; if (history) { const char *sep = strchr(history, '#'); char *lastHelp = sep ? GB_strpartdup(history, sep-1) : strdup(history); aw_root->awar("tmp/aw_window/helpfile")->write_string(lastHelp); free(lastHelp); } } static void aw_help_back(AW_root *aw_root) { char *history = aw_help_global.history; if (history) { const char *sep = strchr(history, '#'); if (sep) { char *first = GB_strpartdup(history, sep-1); freeset(aw_help_global.history, GBS_global_string_copy("%s#%s", sep+1, first)); // wrap first to end free(first); aw_help_select_newest_in_history(aw_root); } } } static void aw_help_back(AW_window *aww) { aw_help_back(aww->get_root()); } static GB_ERROR aw_help_show_external_format(const char *help_file, const char *viewer) { // Called to show *.ps or *.pdf in external viewer. // Can as well show *.suffix.gz (decompresses to temporary *.suffix) struct stat st; GB_ERROR error = NULL; char sys[1024]; sys[0] = 0; if (stat(help_file, &st) == 0) { // *.ps exists GBS_global_string_to_buffer(sys, sizeof(sys), "%s %s &", viewer, help_file); } else { char *compressed = GBS_global_string_copy("%s.gz", help_file); if (stat(compressed, &st) == 0) { // *.ps.gz exists char *name_ext; GB_split_full_path(compressed, NULL, NULL, &name_ext, NULL); // 'name_ext' contains xxx.ps or xxx.pdf char *name, *suffix; GB_split_full_path(name_ext, NULL, NULL, &name, &suffix); char *tempname = GB_unique_filename(name, suffix); char *uncompressed = GB_create_tempfile(tempname); GBS_global_string_to_buffer(sys, sizeof(sys), "(gunzip <%s >%s ; %s %s ; rm %s) &", compressed, uncompressed, viewer, uncompressed, uncompressed); free(uncompressed); free(tempname); free(name); free(suffix); free(name_ext); } else { error = GBS_global_string("Neither %s nor %s exists", help_file, compressed); } free(compressed); } if (sys[0] && !error) error = GB_system(sys); return error; } static void aw_help_helpfile_changed_cb(AW_root *awr) { char *help_file = get_full_qualified_help_file_name(awr); if (!strlen(help_file)) { awr->awar("tmp/aw_window/helptext")->write_string("no help"); } else if (GBS_string_matches(help_file,"*.ps",GB_IGNORE_CASE) ){ // Postscript file GB_ERROR error = aw_help_show_external_format(help_file, GB_getenvARB_GS()); if (error) aw_message(error); aw_help_select_newest_in_history(awr); } else if (GBS_string_matches(help_file,"*.pdf",GB_IGNORE_CASE) ){ // PDF file GB_ERROR error = aw_help_show_external_format(help_file, GB_getenvARB_PDFVIEW()); if (error) aw_message(error); aw_help_select_newest_in_history(awr); } else{ if (aw_help_global.history){ if (strncmp(help_file,aw_help_global.history,strlen(help_file)) != 0) { // remove current help from history (if present) and prefix it to history char *comm = GBS_global_string_copy("*#%s*=*1*2:*=%s#*1", help_file, help_file); char *h = GBS_string_eval(aw_help_global.history,comm,0); aw_assert(h); freeset(aw_help_global.history, h); free(comm); } } else { aw_help_global.history = strdup(help_file); } char *helptext=GB_read_file(help_file); if(helptext) { char *ptr; char *h,*h2,*tok; ptr = strdup(helptext); aw_help_global.aww->clear_selection_list(aw_help_global.upid); h2 = GBS_find_string(ptr,"\nUP",0); while ( (h = h2) ){ h2 = GBS_find_string(h2+1,"\nUP",0); tok = strtok(h+3," \n\t"); // now I got UP char *title = aw_ref_to_title(tok); if (tok) aw_help_global.aww->insert_selection(aw_help_global.upid,title,tok); free(title); } free(ptr); aw_help_global.aww->insert_default_selection(aw_help_global.upid," ",""); aw_help_global.aww->update_selection_list(aw_help_global.upid); ptr = strdup(helptext); aw_help_global.aww->clear_selection_list(aw_help_global.downid); h2 = GBS_find_string(ptr,"\nSUB",0); while ( (h = h2) ){ h2 = GBS_find_string(h2+1,"\nSUB",0); tok = strtok(h+4," \n\t"); // now I got SUB char *title = aw_ref_to_title(tok); if (tok) aw_help_global.aww->insert_selection(aw_help_global.downid, title,tok); free(title); } free(ptr); aw_help_global.aww->insert_default_selection(aw_help_global.downid," ",""); aw_help_global.aww->update_selection_list(aw_help_global.downid); ptr = GBS_find_string(helptext,"TITLE",0); if (!ptr) ptr = helptext; ptr = GBS_string_eval(ptr,"{*\\:*}=*2",0); awr->awar("tmp/aw_window/helptext")->write_string(ptr); free(ptr); free(helptext); }else{ sprintf(AW_ERROR_BUFFER,"I cannot find the help file '%s'\n\n" "Please help us to complete the ARB-Help by submitting\n" "this missing helplink via ARB_NT/File/About/SubmitBug\n" "Thank you.\n",help_file); awr->awar("tmp/aw_window/helptext")->write_string(AW_ERROR_BUFFER); } } free(help_file); } static void aw_help_browse(AW_window *aww) { char *help_url = get_local_help_url(aww->get_root()); if (help_url) { awt_openURL(aww->get_root(), 0, help_url); free(help_url); } else { aw_message(GBS_global_string("Can't detect URL of help file\n(Reason: %s)", GB_await_error())); } } static void aw_help_search(AW_window *aww) { GB_ERROR error = 0; char *searchtext = aww->get_root()->awar("tmp/aw_window/search_expression")->read_string(); if (searchtext[0]==0) error = "Empty searchstring"; else { char *helpfilename = 0; static char *last_help; // tempfile containing last search result // replace all spaces in 'searchtext' by '.*' freeset(searchtext, GBS_string_eval(searchtext, " =.*", 0)); // grep .hlp for occurrences of 'searchtext'. // write filenames of matching files into 'helpfilename' { { char *helpname = GB_unique_filename("arb", "hlp"); helpfilename = GB_create_tempfile(helpname); free(helpname); } if (!helpfilename) error = GB_await_error(); else { const char *gen_help_tmpl = "cd %s;grep -i '^[^#]*%s' `find . -name \"*.hlp\"` | sed -e 'sI:.*IIg' -e 'sI^\\./IIg' | sort | uniq > %s"; char *gen_help_cmd = GBS_global_string_copy(gen_help_tmpl, GB_getenvDOCPATH(), searchtext, helpfilename); error = GB_system(gen_help_cmd); free(gen_help_cmd); GB_remove_on_exit(helpfilename); } } if (!error) { char *result = GB_read_file(helpfilename); if (!result) error = GB_await_error(); else { // write temporary helpfile containing links to matches as subtopics FILE *helpfp = fopen(helpfilename, "wt"); if (!helpfp) error = GB_export_IO_error("writing helpfile", helpfilename); else { fprintf(helpfp, "\nUP arb.hlp\n"); if (last_help) fprintf(helpfp, "UP %s\n", last_help); fputc('\n', helpfp); int results = 0; char *rp = result; while (1) { char *eol = strchr(rp, '\n'); if (!eol) { eol = rp; while (*eol) ++eol; } if (eol>rp) { char old = eol[0]; eol[0] = 0; fprintf(helpfp, "SUB %s\n", rp); results++; eol[0] = old; } if (eol[0]==0) break; // all results inserted rp = eol+1; } fprintf(helpfp,"\nTITLE\t\tResult of search for '%s'\n\n", searchtext); if (results>0) fprintf(helpfp, "\t\t%i results are shown as subtopics\n", results); else fprintf(helpfp, "\t\tThere are no results.\n"); if (results>0) freedup(last_help, helpfilename); fclose(helpfp); aww->get_root()->awar("tmp/aw_window/helpfile")->write_string(helpfilename); // display results in helpwindow } free(result); } } free(helpfilename); } if (error) aw_message(error); free(searchtext); } void AW_POPUP_HELP(AW_window *aw,AW_CL /*char */ helpcd) { static AW_window_simple *helpwindow = 0; AW_root *awr = aw->get_root(); char *help_file = (char*)helpcd; if (!helpwindow) { awr->awar_string( "tmp/aw_window/helptext", "" , AW_ROOT_DEFAULT); awr->awar_string( "tmp/aw_window/search_expression", "" , AW_ROOT_DEFAULT); awr->awar_string( "tmp/aw_window/helpfile", "" , AW_ROOT_DEFAULT); awr->awar("tmp/aw_window/helpfile")->add_callback(aw_help_helpfile_changed_cb); helpwindow = new AW_window_simple; helpwindow->init(awr,"HELP","HELP WINDOW"); helpwindow->load_xfig("help.fig"); helpwindow->button_length(10); helpwindow->at("close"); helpwindow->callback((AW_CB0)AW_POPDOWN); helpwindow->create_button("CLOSE", "CLOSE","C"); helpwindow->at("back"); helpwindow->callback(aw_help_back); helpwindow->create_button("BACK", "BACK","B"); helpwindow->at("super"); aw_help_global.upid = helpwindow->create_selection_list("tmp/aw_window/helpfile",0,0,3,3); helpwindow->insert_default_selection(aw_help_global.upid," ",""); helpwindow->update_selection_list(aw_help_global.upid); helpwindow->at("sub"); aw_help_global.downid = helpwindow->create_selection_list("tmp/aw_window/helpfile",0,0,3,3); helpwindow->insert_default_selection(aw_help_global.downid," ",""); helpwindow->update_selection_list(aw_help_global.downid); aw_help_global.aww = helpwindow; aw_help_global.history = 0; helpwindow->at("text"); helpwindow->create_text_field("tmp/aw_window/helptext",3,3); helpwindow->at("browse"); helpwindow->callback(aw_help_browse); helpwindow->create_button("BROWSE", "BROWSE", "B"); helpwindow->at("expression"); helpwindow->create_input_field("tmp/aw_window/search_expression"); helpwindow->at("search"); helpwindow->callback(aw_help_search); helpwindow->create_button("SEARCH", "SEARCH", "S"); helpwindow->at("edit"); helpwindow->callback(aw_help_edit_help); helpwindow->create_button("EDIT", "EDIT","E"); } aw_assert(help_file); awr->awar("tmp/aw_window/helpfile")->write_string(help_file); if (!GBS_string_matches(help_file,"*.ps",GB_IGNORE_CASE) && !GBS_string_matches(help_file,"*.pdf",GB_IGNORE_CASE)) { // dont open help if postscript or pdf file helpwindow->activate(); } } #if defined(DEVEL_RALF) #warning Check where AW_ERROR is used and maybe use one of the GB_error/terminate functions #endif // DEVEL_RALF void AW_ERROR( const char *templat, ...) { char buffer[10000]; va_list parg; char *p; sprintf(buffer,"Internal ARB Error [AW]: "); p = buffer + strlen(buffer); va_start(parg,templat); vsprintf(p,templat,parg); fprintf(stderr,"%s\n",buffer); aw_message(buffer); gb_assert(0); } ./arbsrc_9167/WINDOW/AW_window.cxx0000644012664100000130000037063011440743000016572 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include /* Eigene Klassendefinition */ #include "aw_root.hxx" #include "aw_device.hxx" #include "aw_commn.hxx" #include "aw_keysym.hxx" #include "aw_at.hxx" #include "aw_window.hxx" #include "aw_awar.hxx" #include "aw_xfig.hxx" #include "aw_xfigfont.hxx" /* hier die Motif abhaengigen Teile */ #include "aw_Xm.hxx" #include "aw_click.hxx" #include "aw_size.hxx" #include "aw_print.hxx" #include "aw_window_Xm.hxx" #include "aw_xkey.hxx" #include "aw_global.hxx" AW_root *AW_root::THIS= NULL; AW_cb_struct::AW_cb_struct(AW_window *awi, void (*g)(AW_window*,AW_CL,AW_CL), AW_CL cd1i, AW_CL cd2i, const char *help_texti, class AW_cb_struct *nexti) { aw = awi; f = g; cd1 = cd1i; cd2 = cd2i; help_text = help_texti; pop_up_window = NULL; this->next = nexti; } AW_timer_cb_struct::AW_timer_cb_struct(AW_root *ari, void (*g)(AW_root*,AW_CL,AW_CL), AW_CL cd1i, AW_CL cd2i) { ar = ari; f = g; cd1 = cd1i; cd2 = cd2i; } AW_timer_cb_struct::~AW_timer_cb_struct(void) { } void AW_root::make_sensitive(Widget w, AW_active mask) { // Dont call make_sensitive directly! // // Simply set sens_mask(AWM_EXP) and after creating the expert-mode-only widgets, // set it back using sens_mask(AWM_ALL) aw_assert(w); aw_assert(legal_mask(mask)); prvt->set_last_widget(w); if (mask != AWM_ALL) { // no need to make widget sensitive, if its shown unconditionally prvt->button_list = new AW_buttons_struct(mask, w, prvt->button_list); if (!(mask & global_mask)) XtSetSensitive(w, False); // disable widget if mask doesnt match } } AW_buttons_struct::AW_buttons_struct(AW_active maski, Widget w, AW_buttons_struct *prev_button) { aw_assert(w); aw_assert(legal_mask(maski)); mask = maski; button = w; next = prev_button; } AW_buttons_struct::~AW_buttons_struct() { aw_assert(next == 0); // has to be removed from global list before calling dtor } bool AW_remove_button_from_sens_list(AW_root *root, Widget w) { bool removed = false; if (p_global->button_list) { AW_buttons_struct *prev = 0; AW_buttons_struct *bl = p_global->button_list; while (bl) { if (bl->button == w) break; // found wanted widget prev = bl; bl = bl->next; } if (bl) { // remove from list if (prev) prev->next = bl->next; else p_global->button_list = bl->next; bl->next = 0; removed = true; delete bl; } } return removed; } AW_config_struct::AW_config_struct(const char *idi, AW_active maski, Widget w, const char *variable_namei, const char *variable_valuei, AW_config_struct *nexti) { aw_assert(legal_mask(maski)); id = strdup(idi); mask = maski; widget = w; variable_name = strdup(variable_namei); variable_value = strdup(variable_valuei); next = nexti; } /*************************************************************************************************************/ AW_option_struct::AW_option_struct(const char *variable_valuei, Widget choice_widgeti) : variable_value(strdup(variable_valuei)), choice_widget(choice_widgeti), next(0) { } AW_option_struct::AW_option_struct(int variable_valuei, Widget choice_widgeti) : variable_value(0), variable_int_value(variable_valuei), choice_widget(choice_widgeti), next(0) { } AW_option_struct::AW_option_struct(float variable_valuei, Widget choice_widgeti) : variable_value(0), variable_float_value(variable_valuei), choice_widget(choice_widgeti), next(0) { } AW_option_struct::~AW_option_struct() { aw_assert(next == 0); // has to be unlinked from list BEFORE calling dtor free(variable_value); } AW_option_menu_struct::AW_option_menu_struct(int numberi, const char *variable_namei, AW_VARIABLE_TYPE variable_typei, Widget label_widgeti, Widget menu_widgeti, AW_pos xi, AW_pos yi, int correct) { option_menu_number = numberi; variable_name = strdup(variable_namei); variable_type = variable_typei; label_widget = label_widgeti; menu_widget = menu_widgeti; first_choice = NULL; last_choice = NULL; default_choice = NULL; next = NULL; x = xi; y = yi; correct_for_at_center_intern = correct; } AW_toggle_field_struct::AW_toggle_field_struct(int toggle_field_numberi, const char *variable_namei, AW_VARIABLE_TYPE variable_typei, Widget label_widgeti, int correct) { toggle_field_number = toggle_field_numberi; variable_name = strdup(variable_namei); variable_type = variable_typei; label_widget = label_widgeti; first_toggle = NULL; last_toggle = NULL; default_toggle = NULL; next = NULL; correct_for_at_center_intern = correct; } AW_toggle_struct::AW_toggle_struct(const char *variable_valuei, Widget toggle_widgeti) { variable_value = strdup(variable_valuei); toggle_widget = toggle_widgeti; next = NULL; } AW_toggle_struct::AW_toggle_struct(int variable_valuei, Widget toggle_widgeti) { variable_int_value = variable_valuei; toggle_widget = toggle_widgeti; next = NULL; } AW_toggle_struct::AW_toggle_struct(float variable_valuei, Widget toggle_widgeti) { variable_float_value = variable_valuei; toggle_widget = toggle_widgeti; next = NULL; } char *AW_select_table_struct::copy_string(const char *str) { char *out = strdup(str); char *p = out; int ch; while ((ch=*(p++)) != 0) { if (ch==',') p[-1] = ';'; if (ch=='\n') p[-1] = '#'; } return out; } AW_select_table_struct::AW_select_table_struct(const char *displayedi, const char *valuei) { memset((char *)this, 0, sizeof(AW_select_table_struct)); displayed = copy_string(displayedi); char_value = strdup(valuei); } AW_select_table_struct::AW_select_table_struct(const char *displayedi, long valuei) { memset((char *)this, 0, sizeof(AW_select_table_struct)); displayed = copy_string(displayedi); int_value = valuei;; } AW_select_table_struct::AW_select_table_struct(const char *displayedi, float valuei) { memset((char *)this, 0, sizeof(AW_select_table_struct)); displayed = copy_string(displayedi); float_value = valuei; } AW_select_table_struct::AW_select_table_struct(const char *displayedi, void *pointer) { memset((char *)this, 0, sizeof(AW_select_table_struct)); displayed = copy_string(displayedi); pointer_value = pointer; } AW_select_table_struct::~AW_select_table_struct(void) { free(displayed); free(char_value); } AW_selection_list::AW_selection_list(const char *variable_namei, int variable_typei, Widget select_list_widgeti) { memset((char *)this, 0, sizeof(AW_selection_list)); variable_name = nulldup(variable_namei); variable_type = (AW_VARIABLE_TYPE)variable_typei; select_list_widget = select_list_widgeti; list_table = NULL; last_of_list_table = NULL; default_select = NULL; value_equal_display = false; } AW_root::AW_root(void) { memset((char *)this, 0, sizeof(AW_root)); this->THIS = this; this->prvt = (AW_root_Motif *)GB_calloc(sizeof(AW_root_Motif), 1); } AW_root::~AW_root(void) { delete prvt; } AW_window_Motif::AW_window_Motif() { memset((char*)this, 0, sizeof(AW_window_Motif)); } AW_window::AW_window(void) { memset((char *)this, 0, sizeof(AW_window)); p_w = new AW_window_Motif; _at = new AW_at; // Note to valgrinders : the whole AW_window memory management suffers because Windows are NEVER deleted picture = new AW_rectangle; reset_scrolled_picture_size(); slider_pos_vertical = 0; slider_pos_horizontal = 0; } AW_window::~AW_window(void) { delete p_w; delete picture; } #if defined(DEBUG) // #define DUMP_MENU_LIST // this should NOT be defined normally (if defined, every window writes all menu-entries to stdout) #endif // DEBUG #if defined(DUMP_MENU_LIST) static char *window_name = 0; static char *sub_menu = 0; static void initMenuListing(const char *win_name) { aw_assert(win_name); freedup(window_name, win_name); freeset(sub_menu, 0); printf("---------------------------------------- list of menus for '%s'\n", window_name); } static void dumpMenuEntry(const char *entry) { aw_assert(window_name); if (sub_menu) { printf("'%s/%s/%s'\n", window_name, sub_menu, entry); } else { printf("'%s/%s'\n", window_name, entry); } } static void dumpOpenSubMenu(const char *sub_name) { aw_assert(sub_name); dumpMenuEntry(sub_name); // dump the menu itself if (sub_menu) freeset(sub_menu, GBS_global_string_copy("%s/%s", sub_menu, sub_name)); else sub_menu = strdup(sub_name); } static void dumpCloseSubMenu() { aw_assert(sub_menu); char *lslash = strrchr(sub_menu, '/'); if (lslash) { lslash[0] = 0; } else freeset(sub_menu, 0); } static void dumpCloseAllSubMenus() { freeset(sub_menu, 0); } #endif // DUMP_MENU_LIST AW_window_menu_modes::AW_window_menu_modes(void) { } AW_window_menu_modes::~AW_window_menu_modes(void) { } AW_window_menu::AW_window_menu(void) { } AW_window_menu::~AW_window_menu(void) { } AW_window_simple::AW_window_simple(void) { } AW_window_simple::~AW_window_simple(void) { } AW_window_simple_menu::AW_window_simple_menu(void) { } AW_window_simple_menu::~AW_window_simple_menu(void) { } AW_window_message::AW_window_message(void) { } AW_window_message::~AW_window_message(void) { } /***********************************************************************/ void AW_window::set_horizontal_scrollbar_left_indent(int indent) { XtVaSetValues(p_w->scroll_bar_horizontal, XmNleftOffset, (int)indent, NULL); left_indent_of_horizontal_scrollbar = indent; } /***********************************************************************/ static void value_changed_scroll_bar_horizontal(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data) { AWUSE(wgt); XmScrollBarCallbackStruct *sbcbs = (XmScrollBarCallbackStruct *)call_data; AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; (cbs->aw)->slider_pos_horizontal = sbcbs->value; //setzt Scrollwerte im AW_window cbs->run_callback(); } static void drag_scroll_bar_horizontal(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data) { AWUSE(wgt); XmScrollBarCallbackStruct *sbcbs = (XmScrollBarCallbackStruct *)call_data; AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; (cbs->aw)->slider_pos_horizontal = sbcbs->value; //setzt Scrollwerte im AW_window cbs->run_callback(); } void AW_window::set_horizontal_change_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAddCallback(p_w->scroll_bar_horizontal, XmNvalueChangedCallback, (XtCallbackProc) value_changed_scroll_bar_horizontal, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, "") ); XtAddCallback(p_w->scroll_bar_horizontal, XmNdragCallback, (XtCallbackProc) drag_scroll_bar_horizontal, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, "") ); } static void value_changed_scroll_bar_vertical(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data) { AWUSE(wgt); XmScrollBarCallbackStruct *sbcbs = (XmScrollBarCallbackStruct *)call_data; AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; cbs->aw->slider_pos_vertical = sbcbs->value; //setzt Scrollwerte im AW_window cbs->run_callback(); } static void drag_scroll_bar_vertical(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data) { AWUSE(wgt); XmScrollBarCallbackStruct *sbcbs = (XmScrollBarCallbackStruct *)call_data; AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; cbs->aw->slider_pos_vertical = sbcbs->value; //setzt Scrollwerte im AW_window cbs->run_callback(); } void AW_window::set_vertical_change_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAddCallback(p_w->scroll_bar_vertical, XmNvalueChangedCallback, (XtCallbackProc) value_changed_scroll_bar_vertical, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, "") ); XtAddCallback(p_w->scroll_bar_vertical, XmNdragCallback, (XtCallbackProc) drag_scroll_bar_vertical, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, "") ); XtAddCallback(p_w->scroll_bar_vertical, XmNpageIncrementCallback, (XtCallbackProc) drag_scroll_bar_vertical, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, "") ); XtAddCallback(p_w->scroll_bar_vertical, XmNpageDecrementCallback, (XtCallbackProc) drag_scroll_bar_vertical, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, "") ); } void AW_window::tell_scrolled_picture_size(AW_rectangle rectangle) { picture->l = rectangle.l; picture->r = rectangle.r; picture->t = rectangle.t; picture->b = rectangle.b; } void AW_window::tell_scrolled_picture_size(AW_world rectangle) { picture->l = (int)rectangle.l; picture->r = (int)rectangle.r; picture->t = (int)rectangle.t; picture->b = (int)rectangle.b; } void AW_window::reset_scrolled_picture_size() { picture->l = 0; picture->r = 0; picture->t = 0; picture->b = 0; } AW_pos AW_window::get_scrolled_picture_width() { return (picture->r - picture->l); } AW_pos AW_window::get_scrolled_picture_height() { return (picture->b - picture->t); } void AW_window::calculate_scrollbars(void) { AW_rectangle screen; int slider_size_horizontal; int slider_size_vertical; bool vertical, horizontal; int position_of_slider; int slider_max; vertical = horizontal = true; // es gibt verticalen & horizontalen scrollbar this->_get_area_size(AW_MIDDLE_AREA, &screen); // HORIZONTAL slider_max = (int)get_scrolled_picture_width(); if (slider_max <1) { slider_max = 1; XtVaSetValues(p_w->scroll_bar_horizontal, XmNsliderSize, 1, NULL); } slider_size_horizontal = (int)( (screen.r -left_indent_of_horizontal_scrollbar)); if (slider_size_horizontal < 1) slider_size_horizontal = 1; // ist der slider zu klein (<1) ? if (slider_size_horizontal > slider_max) { // Schirm groesser als Bild slider_size_horizontal = slider_max; // slider nimmt ganze laenge ein XtVaSetValues(p_w->scroll_bar_horizontal, XmNvalue, 0, NULL); // slider ganz links setzen horizontal = false; // kein horizontaler slider mehr } // check wether XmNValue is to big XtVaGetValues(p_w->scroll_bar_horizontal, XmNvalue, &position_of_slider, NULL); if (position_of_slider > (slider_max-slider_size_horizontal)) {//steht der slider fuer slidergroesse zu rechts ? position_of_slider = slider_max-slider_size_horizontal; //-1 ? vielleicht ! if (position_of_slider < 0) position_of_slider = 0; XtVaSetValues(p_w->scroll_bar_horizontal, XmNvalue, position_of_slider, NULL); } // Anpassung fuer resize, wenn unbeschriebener Bereich vergroessert wird if ( -slider_pos_horizontal + get_scrolled_picture_width() < screen.r -left_indent_of_horizontal_scrollbar) { if (horizontal == true) slider_pos_horizontal = (int)(get_scrolled_picture_width() - (screen.r-left_indent_of_horizontal_scrollbar) ); else slider_pos_horizontal = 0; //slider nach ganz oben, da alles sichtbar } XtVaSetValues(p_w->scroll_bar_horizontal, XmNsliderSize, 1, NULL); XtVaSetValues(p_w->scroll_bar_horizontal, XmNmaximum, slider_max, NULL); XtVaSetValues(p_w->scroll_bar_horizontal, XmNsliderSize, slider_size_horizontal, NULL); char buffer[200]; sprintf(buffer, "window/%s/horizontal_page_increment", window_defaults_name); XtVaSetValues(p_w->scroll_bar_horizontal, XmNpageIncrement, (int)((screen.r -left_indent_of_horizontal_scrollbar)*(get_root()->awar( buffer )->read_int()*0.01)), NULL); sprintf(buffer, "window/%s/scroll_width_horizontal", window_defaults_name); XtVaSetValues(p_w->scroll_bar_horizontal, XmNincrement, (int)(get_root()->awar( buffer )->read_int()), NULL); sprintf(buffer, "window/%s/scroll_delay_horizontal", window_defaults_name); XtVaSetValues(p_w->scroll_bar_horizontal, XmNrepeatDelay, (int)(get_root()->awar( buffer )->read_int()), NULL); // VERTICAL slider_max = (int)get_scrolled_picture_height(); if (slider_max <1) { slider_max = 1; XtVaSetValues(p_w->scroll_bar_vertical, XmNsliderSize, 1, NULL); } slider_size_vertical = (int)( (screen.b-top_indent_of_vertical_scrollbar -bottom_indent_of_vertical_scrollbar)); if (slider_size_vertical < 1) slider_size_vertical = 1; if (slider_size_vertical > slider_max) { slider_size_vertical = slider_max; XtVaSetValues(p_w->scroll_bar_vertical, XmNvalue, 0, NULL); vertical = false; } // check wether XmNValue is to big XtVaGetValues(p_w->scroll_bar_vertical, XmNvalue, &position_of_slider, NULL); if (position_of_slider > (slider_max-slider_size_vertical)) { position_of_slider = slider_max-slider_size_vertical; //-1 ? vielleicht ! if (position_of_slider < 0) position_of_slider = 0; XtVaSetValues(p_w->scroll_bar_vertical, XmNvalue, position_of_slider, NULL); } // Anpassung fuer resize, wenn unbeschriebener Bereich vergroessert wird if ( -slider_pos_vertical + get_scrolled_picture_height() < screen.b -top_indent_of_vertical_scrollbar -bottom_indent_of_vertical_scrollbar) { if (vertical == true) slider_pos_vertical = (int)(get_scrolled_picture_height() - (screen.b-top_indent_of_vertical_scrollbar -bottom_indent_of_vertical_scrollbar)); else slider_pos_vertical = 0; //slider nach ganz oben, da alles sichtbar } XtVaSetValues(p_w->scroll_bar_vertical, XmNsliderSize, 1, NULL); XtVaSetValues(p_w->scroll_bar_vertical, XmNmaximum, slider_max, NULL); XtVaSetValues(p_w->scroll_bar_vertical, XmNsliderSize, slider_size_vertical, NULL); sprintf(buffer, "window/%s/vertical_page_increment", window_defaults_name); XtVaSetValues(p_w->scroll_bar_vertical, XmNpageIncrement, (int)((screen.b -top_indent_of_vertical_scrollbar -bottom_indent_of_vertical_scrollbar)*(get_root()->awar( buffer )->read_int()*0.01)), NULL); sprintf(buffer, "window/%s/scroll_width_vertical", window_defaults_name); XtVaSetValues(p_w->scroll_bar_vertical, XmNincrement, (int)(get_root()->awar( buffer )->read_int()), NULL); sprintf(buffer, "window/%s/scroll_delay_vertical", window_defaults_name); XtVaSetValues(p_w->scroll_bar_vertical, XmNrepeatDelay, (int)(get_root()->awar( buffer )->read_int()), NULL); } void AW_window::set_vertical_scrollbar_position(int position) { slider_pos_vertical = position; XtVaSetValues(p_w->scroll_bar_vertical, XmNvalue, position, NULL); } void AW_window::set_horizontal_scrollbar_position(int position) { slider_pos_horizontal = position; XtVaSetValues(p_w->scroll_bar_horizontal, XmNvalue, position, NULL); } /***********************************************************************/ static void AW_timer_callback(XtPointer aw_timer_cb_struct, XtIntervalId *id) { AWUSE(id); AW_timer_cb_struct *tcbs = (AW_timer_cb_struct *) aw_timer_cb_struct; if (!tcbs) return; AW_root *root = tcbs->ar; if (root->disable_callbacks) { // delay the timer callback for 25ms XtAppAddTimeOut(p_global->context, (unsigned long)25, // wait 25 msec = 1/40 sec (XtTimerCallbackProc)AW_timer_callback, aw_timer_cb_struct); } else { tcbs->f(root, tcbs->cd1, tcbs->cd2); delete tcbs; // timer only once } } static void AW_timer_callback_never_disabled(XtPointer aw_timer_cb_struct, XtIntervalId *id) { AWUSE(id); AW_timer_cb_struct *tcbs = (AW_timer_cb_struct *) aw_timer_cb_struct; if (!tcbs) return; tcbs->f(tcbs->ar, tcbs->cd1, tcbs->cd2); delete tcbs; // timer only once } void AW_root::add_timed_callback(int ms, void (*f)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAppAddTimeOut(p_r->context, (unsigned long)ms, (XtTimerCallbackProc)AW_timer_callback, (XtPointer) new AW_timer_cb_struct( this, f, cd1, cd2)); } void AW_root::add_timed_callback_never_disabled(int ms, void (*f)(AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAppAddTimeOut(p_r->context, (unsigned long)ms, (XtTimerCallbackProc)AW_timer_callback_never_disabled, (XtPointer) new AW_timer_cb_struct( this, f, cd1, cd2)); } /***********************************************************************/ void AW_POPDOWN(AW_window *aww) { aww->hide(); } #define BUFSIZE 256 static char aw_size_awar_name_buffer[BUFSIZE]; static const char *aw_size_awar_name(AW_window *aww, const char *sub_entry) { #if defined(DEBUG) int size = #endif // DEBUG sprintf(aw_size_awar_name_buffer, "window/windows/%s/%s", aww->window_defaults_name, sub_entry); #if defined(DEBUG) aw_assert(size < BUFSIZE); #endif // DEBUG return aw_size_awar_name_buffer; } #undef BUFSIZE #define aw_awar_name_posx(aww) aw_size_awar_name((aww), "posx") #define aw_awar_name_posy(aww) aw_size_awar_name((aww), "posy") #define aw_awar_name_width(aww) aw_size_awar_name((aww), "width") #define aw_awar_name_height(aww) aw_size_awar_name((aww), "height") static void aw_calculate_WM_offsets(AW_window *aww) { if (p_aww(aww)->WM_top_offset != -1000) return; // very bad hack continued AW_root *root = aww->get_root(); short posy, posx; int oposy, oposx; oposx = root->awar(aw_awar_name_posx(aww))->read_int(); oposy = root->awar(aw_awar_name_posy(aww))->read_int(); XtVaGetValues( p_aww(aww)->shell , XmNx, &posx, XmNy, &posy, NULL); p_aww(aww)->WM_top_offset = posy-oposy; p_aww(aww)->WM_left_offset = posx-oposx; } /************** standard callback server *********************/ static void macro_message_cb(AW_window *aw, AW_CL); bool AW_cb_struct::is_equal(const AW_cb_struct& other) const { bool equal = false; if (f == other.f) { // same callback function equal = (cd1 == other.cd1) && (cd2 == other.cd2); if (equal) { if (f == AW_POPUP) { equal = aw->get_root() == other.aw->get_root(); } else { equal = aw == other.aw; if (!equal) { equal = aw->get_root() == other.aw->get_root(); #if defined(DEBUG) && 0 if (equal) { fprintf(stderr, "callback '%s' instanciated twice with different windows (w1='%s' w2='%s') -- assuming the callbacks are equal\n", id, aw->get_window_id(), other.aw->get_window_id()); } #endif // DEBUG } } } } return equal; } void AW_cb_struct::run_callback(void) { AW_PPP g; if (next) next->run_callback(); // callback the whole list AW_root *root = aw->get_root(); if (!f) return; if (root->disable_callbacks) { // some functions (namely aw_message, aw_input, aw_string_selection and aw_file_selection) // have to disable most callbacks, because they are often called from inside these callbacks // (e.g. because some exceptional condition occurred which needs user interaction) and if // callbacks weren't disabled, a recursive deadlock occurs. // the following callbacks are allowed even if disable_callbacks is true if ((f != (AW_CB)message_cb) && (f != (AW_CB)macro_message_cb) && (f != (AW_CB)input_history_cb) && (f != (AW_CB)input_cb) && (f != (AW_CB)AW_POPUP_HELP) && (f != (AW_CB)AW_POPDOWN) && !aw->is_expose_callback(AW_INFO_AREA, f) && !aw->is_resize_callback(AW_INFO_AREA, f) ) { // don't warn about the following callback, just silently ignore them : if (!aw->is_expose_callback(AW_MIDDLE_AREA, f) && !aw->is_resize_callback(AW_MIDDLE_AREA, f) ) { // otherwise remind the user to answer the prompt: aw_message("That has been ignored. Answer the prompt first!"); } return; } } if (f == AW_POPUP) { if (pop_up_window) { // already exists pop_up_window->activate(); } else { g = (AW_PPP)cd1; if (g) { pop_up_window = g(aw->get_root(), cd2, 0); pop_up_window->show(); } else { aw_message("Sorry Function not implemented"); } } if (pop_up_window && p_aww(pop_up_window)->popup_cb) p_aww(pop_up_window)->popup_cb->run_callback(); } else { f(aw, cd1, cd2); } } bool AW_cb_struct::contains(void (*g)(AW_window*,AW_CL ,AW_CL)) { return (f == g) || (next && next->contains(g)); } void AW_root_Motif::set_cursor(Display *d, Window w, Cursor c) { XSetWindowAttributes attrs; old_cursor_display = d; old_cursor_window = w; if (c) attrs.cursor = c; else attrs.cursor = None; if (d && w) { XChangeWindowAttributes(d, w, CWCursor, &attrs); } XChangeWindowAttributes(XtDisplay(main_widget), XtWindow(main_widget), CWCursor, &attrs); XFlush(XtDisplay(main_widget)); } void AW_root_Motif::normal_cursor(void) { set_cursor(old_cursor_display, old_cursor_window, 0); } void AW_server_callback(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data) { AWUSE(wgt); AWUSE(call_data); AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; AW_root *root = cbs->aw->get_root(); if (p_global->help_active) { p_global->help_active = 0; p_global->normal_cursor(); if (cbs->help_text && ((GBS_string_matches(cbs->help_text, "*.ps", GB_IGNORE_CASE)) || (GBS_string_matches(cbs->help_text, "*.hlp", GB_IGNORE_CASE)) || (GBS_string_matches(cbs->help_text, "*.help", GB_IGNORE_CASE)))) { AW_POPUP_HELP(cbs->aw, (AW_CL)cbs->help_text); } else { aw_message("Sorry no help available"); } return; } if (root->prvt->recording_macro_file) { if (cbs->id && strcmp(cbs->id, root->prvt->stop_action_name)) { fprintf(root->prvt->recording_macro_file, "BIO::remote_action($gb_main,\"%s\",", root->prvt->application_name_for_macros); GBS_fwrite_string(cbs->id, root->prvt->recording_macro_file); fprintf(root->prvt->recording_macro_file, ");\n"); } } if (cbs->f == AW_POPUP) { cbs->run_callback(); } else { p_global->set_cursor(XtDisplay(p_global->toplevel_widget), XtWindow(p_aww(cbs->aw)->shell), p_global->clock_cursor); cbs->run_callback(); XEvent event; // destroy all old events !!! while (XCheckMaskEvent(XtDisplay(p_global->toplevel_widget), ButtonPressMask|ButtonReleaseMask|ButtonMotionMask| KeyPressMask|KeyReleaseMask|PointerMotionMask, &event)) { } if (p_global->help_active) { p_global->set_cursor(XtDisplay(p_global->toplevel_widget), XtWindow(p_aww(cbs->aw)->shell), p_global->question_cursor); } else { p_global->set_cursor(XtDisplay(p_global->toplevel_widget), XtWindow(p_aww(cbs->aw)->shell), 0); } } } void AW_clock_cursor(AW_root *root) { p_global->set_cursor(0, 0, p_global->clock_cursor); } void AW_normal_cursor(AW_root *root) { p_global->set_cursor(0, 0, 0); } /***********************************************************************/ static void AW_root_focusCB(Widget wgt, XtPointer awrp, XEvent*, Boolean*) { AWUSE(wgt); AW_root *aw_root = (AW_root *)awrp; if (aw_root->focus_callback_list) { aw_root->focus_callback_list->run_callback(aw_root); } } void AW_root::set_focus_callback(void (*f)(class AW_root*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { focus_callback_list = new AW_var_callback(f,cd1,cd2,focus_callback_list); } static void AW_focusCB(Widget wgt, XtPointer aw_cb_struct, XEvent*, Boolean*) { AWUSE(wgt); AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; cbs->run_callback(); } void AW_window::set_popup_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { p_w->popup_cb = new AW_cb_struct(this, f, cd1, cd2, 0, p_w->popup_cb); } void AW_window::set_focus_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAddEventHandler(MIDDLE_WIDGET, EnterWindowMask, FALSE, AW_focusCB, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, 0)); } /******************************* expose ****************************************/ static void AW_exposeCB(Widget wgt, XtPointer aw_cb_struct, XmDrawingAreaCallbackStruct *call_data) { XEvent *ev = call_data->event; AWUSE(wgt); AW_area_management *aram = (AW_area_management *) aw_cb_struct; if (ev->xexpose.count == 0) { // last expose cb if (aram->expose_cb) aram->expose_cb->run_callback(); } } void AW_area_management::set_expose_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { // insert expose callback for draw_area if (!expose_cb) { XtAddCallback(area, XmNexposeCallback, (XtCallbackProc) AW_exposeCB, (XtPointer) this ); } expose_cb = new AW_cb_struct(aww, f, cd1, cd2, 0, expose_cb); } void AW_window::set_expose_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return; aram->set_expose_callback(this, f, cd1, cd2); } bool AW_area_management::is_expose_callback(AW_window */*aww*/, void (*f)(AW_window*,AW_CL,AW_CL)) { return expose_cb && expose_cb->contains(f); } bool AW_window::is_expose_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)) { AW_area_management *aram = MAP_ARAM(area); return aram && aram->is_expose_callback(this, f); } void AW_window::force_expose() { XmDrawingAreaCallbackStruct da_struct; da_struct.reason = XmCR_EXPOSE; da_struct.event = (XEvent *) NULL; da_struct.window = XtWindow(p_w->shell); XtCallCallbacks(p_w->shell, XmNexposeCallback, (XtPointer) &da_struct); } bool AW_area_management::is_resize_callback(AW_window */*aww*/, void (*f)(AW_window*,AW_CL,AW_CL)) { return resize_cb && resize_cb->contains(f); } bool AW_window::is_resize_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)) { AW_area_management *aram = MAP_ARAM(area); return aram && aram->is_resize_callback(this, f); } void AW_window::set_window_size(int width, int height) { XtVaSetValues(p_w->shell, XmNwidth, (int)width, XmNheight, (int)height, NULL); } void AW_window::get_window_size(int &width, int &height) { unsigned short hoffset = 0; if (p_w->menu_bar[0]) XtVaGetValues(p_w->menu_bar[0], XmNheight, &hoffset, NULL); width = _at->max_x_size; height = hoffset + _at->max_y_size; } void AW_window::window_fit(void) { int width, height; get_window_size(width, height); set_window_size(width, height); } void AW_window::align(void) { int width, height; get_window_size(width, height); int x = (WidthOfScreen(XtScreen(p_w->shell)) / 2) - (width / 2); int y = (HeightOfScreen(XtScreen(p_w->shell)) / 4) - (height / 4); if (x < 0) x= 0; if (y < 0) y= 0; XtVaSetValues(p_w->shell, XmNx, x, XmNy, y, NULL); } /******************************* resize ****************************************/ // Predicate function: checks, if the given event is a ResizeEvent int is_resize_event(Display *display, XEvent *event, XPointer) { if (event && (event->type == ResizeRequest || event->type == ConfigureNotify) && event->xany.display == display) { return 1; } return 0; } // Removes redundant resize events from the x-event queue void cleanupResizeEvents(Display *display) { if (display) { XLockDisplay(display); XEvent event; if (XCheckIfEvent(display, &event, is_resize_event, 0)) { // Some magic happens here... ;-) (removing redundant events from queue) while (XCheckIfEvent(display, &event, is_resize_event, 0)) ; // Keep last Event in queue XPutBackEvent(display, &event); } XUnlockDisplay(display); } } static void AW_resizeCB_draw_area(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data) { AWUSE(wgt); AWUSE(call_data); AW_area_management *aram = (AW_area_management *) aw_cb_struct; cleanupResizeEvents(aram->common->display); if (aram->resize_cb) aram->resize_cb->run_callback(); } void AW_area_management::set_resize_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { // insert resize callback for draw_area if (!resize_cb) { XtAddCallback(area, XmNresizeCallback, (XtCallbackProc) AW_resizeCB_draw_area, (XtPointer) this ); } resize_cb = new AW_cb_struct(aww, f, cd1, cd2, 0, resize_cb); } void AW_window::set_resize_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return; aram->set_resize_callback(this, f, cd1, cd2); } /***********************************************************************/ static void AW_inputCB_draw_area(Widget wgt, XtPointer aw_cb_struct, XmDrawingAreaCallbackStruct *call_data) { AWUSE(wgt); XEvent *ev = call_data->event; AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; AW_window *aww = cbs->aw; bool run_callback = false; bool run_double_click_callback = false; AW_area_management *area = 0; { int i; for (i=0; iareas[i]->area == wgt) { area = p_aww(aww)->areas[i]; break; } } } if (ev->xbutton.type == ButtonPress) { aww->event.type = AW_Mouse_Press; aww->event.button = ev->xbutton.button; aww->event.x = ev->xbutton.x; aww->event.y = ev->xbutton.y; aww->event.keycode = AW_KEY_NONE; aww->event.keymodifier = AW_KEYMODE_NONE; aww->event.character = '\0'; if (area && area->double_click_cb) { if ( (ev->xbutton.time - area->click_time ) < 200) { run_double_click_callback = true; } else { run_callback = true; } area->click_time = ev->xbutton.time; } else { run_callback = true; } aww->event.time = ev->xbutton.time; } else if (ev->xbutton.type == ButtonRelease) { aww->event.type = AW_Mouse_Release; aww->event.button = ev->xbutton.button; aww->event.x = ev->xbutton.x; aww->event.y = ev->xbutton.y; aww->event.keycode = AW_KEY_NONE; aww->event.keymodifier = AW_KEYMODE_NONE; aww->event.character = '\0'; // aww->event.time use old time run_callback = true; } else if (ev->xkey.type == KeyPress || ev->xkey.type == KeyRelease) { aww->event.time = ev->xbutton.time; const awXKeymap *mykey = aw_xkey_2_awkey(&(ev->xkey)); aww->event.keycode = mykey->awkey; aww->event.keymodifier = mykey->awmod; if (mykey->awstr) { aww->event.character = mykey->awstr[0]; } else { aww->event.character = 0; } if (ev->xkey.type == KeyPress) { aww->event.type = AW_Keyboard_Press; } else { aww->event.type = AW_Keyboard_Release; } aww->event.button = 0; aww->event.x = ev->xbutton.x; aww->event.y = ev->xbutton.y; if (!mykey->awmod && mykey->awkey >= AW_KEY_F1 && mykey->awkey <= AW_KEY_F12 && p_aww(aww)->modes_f_callbacks && p_aww(aww)->modes_f_callbacks[mykey->awkey-AW_KEY_F1] && aww->event.type == AW_Keyboard_Press) { p_aww(aww)->modes_f_callbacks[mykey->awkey-AW_KEY_F1]->run_callback(); } else { run_callback = true; } } // this is done above : // else if (ev->xkey.type == KeyRelease) { // added Jan 98 to fetch multiple keystrokes in EDIT4 (may cause side effects) // aww->event.time = ev->xbutton.time; // aww->event.type = AW_Keyboard_Release; // run_callback = true; // } if (run_double_click_callback) { if (cbs->help_text == (char*)1) { cbs->run_callback(); } else { if (area) area->double_click_cb->run_callback(); } } if (run_callback && (cbs->help_text == (char*)0)) { cbs->run_callback(); } } void AW_area_management::set_input_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAddCallback(area, XmNinputCallback, (XtCallbackProc) AW_inputCB_draw_area, (XtPointer) new AW_cb_struct(aww, f, cd1, cd2, (char*)0) ); } void AW_window::set_input_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return; aram->set_input_callback(this, f, cd1, cd2); } /***********************************************************************/ void AW_area_management::set_double_click_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { double_click_cb = new AW_cb_struct(aww, f, cd1, cd2, (char*)0, double_click_cb); } void AW_window::set_double_click_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return; aram->set_double_click_callback(this, f, cd1, cd2); } void AW_window::get_event(AW_event *eventi) { *eventi = event; } /***********************************************************************/ static void AW_motionCB(Widget w, XtPointer aw_cb_struct, XEvent *ev, Boolean*) { AWUSE(w); AW_cb_struct *cbs = (AW_cb_struct *) aw_cb_struct; cbs->aw->event.type = AW_Mouse_Drag; // cbs->aw->event.button = cbs->aw->event.button; cbs->aw->event.x = ev->xmotion.x; cbs->aw->event.y = ev->xmotion.y; cbs->aw->event.keycode = AW_KEY_NONE; cbs->run_callback(); } void AW_area_management::set_motion_callback(AW_window *aww, void (*f)(AW_window *,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { XtAddEventHandler(area, ButtonMotionMask, False, AW_motionCB, (XtPointer) new AW_cb_struct(aww, f, cd1, cd2, "") ); } void AW_window::set_motion_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return; aram->set_motion_callback(this, f, cd1, cd2); } struct fallbacks { const char *fb; const char *awar; const char *init; }; static struct fallbacks aw_fb[] = { // fallback awarname init { "FontList", "window/font", "8x13bold" }, { "background", "window/background", "grey" }, { "foreground", "window/foreground", "Black", } , {0, "window/color_1", "red",} , {0, "window/color_2", "green",} , {0, "window/color_3", "blue",} , {0, 0, 0} }; static const char *aw_awar_2_color[] = { "window/background", "window/foreground", "window/color_1", "window/color_2", "window/color_3", 0 }; void AW_root::init_variables(AW_default database) { application_database = database; hash_table_for_variables = GBS_create_hash(1000, GB_MIND_CASE); hash_for_windows = GBS_create_hash(100, GB_MIND_CASE); prvt->action_hash = GBS_create_hash(1000, GB_MIND_CASE); int i; for (i=0; i<1000; i++) { if (aw_fb[i].awar == 0) break; awar_string(aw_fb[i].awar, aw_fb[i].init, application_database); } // PJ temporary site for vectorfont stuff vectorfont_lines =NULL; // font data not yet loaded awar_float("vectorfont/userscale", 1.0, application_database); // ratio font point size to pixels awar_string("vectorfont/name", "lib/pictures/fontgfx.vfont", application_database); // name for default font in lib/pictures // from the filerequester awar_int("vectorfont/active", 1, application_database); // zoomtext-calls: call text or use vectorfont (1) // this MIGHT lead to inconsistencies, as the validated data is in /name ---> worst case: reset aw_create_selection_box_awars(this, "vectorfont", GB_path_in_ARBLIB("pictures", NULL), ".vfont", vectorfont_name, application_database, true); awar("vectorfont/file_name")->add_callback( (AW_RCB0) aw_xfig_font_changefont_cb); } void *AW_root::get_aw_var_struct(char *awar_name) { long vs; vs = (long)GBS_read_hash(hash_table_for_variables, awar_name); if (!vs) { AW_ERROR("AW_root::get_aw_var_struct: Variable %s not defined", awar_name); } return (void *)vs; } void *AW_root::get_aw_var_struct_no_error(char *awar_name) { long vs; vs = (long)GBS_read_hash(hash_table_for_variables, awar_name); return (void*)vs; } static void aw_root_create_color_map(AW_root *root) { int i; XColor xcolor_returned, xcolor_exakt; GBDATA *gbd = (GBDATA*)root->application_database; p_global->color_table = (unsigned long *)GB_calloc(sizeof(unsigned long),AW_COLOR_MAX); if (p_global->screen_depth == 1) { //Black and White Monitor unsigned long white= WhitePixelOfScreen( XtScreen(p_global->toplevel_widget) ); unsigned long black= BlackPixelOfScreen( XtScreen(p_global->toplevel_widget) ); p_global->foreground = black; p_global->background = white; for (i=0; i< AW_COLOR_MAX; i++) { p_global->color_table[i] = black; } p_global->color_table[AW_WINDOW_FG] = white; p_global->color_table[AW_WINDOW_C1] = white; p_global->color_table[AW_WINDOW_C2] = white; p_global->color_table[AW_WINDOW_C3] = white; } else { // Color monitor const char **awar_2_color; int color; for (color = 0, awar_2_color = aw_awar_2_color; *awar_2_color; awar_2_color++, color++) { const char *name_of_color = GB_read_char_pntr(GB_search(gbd, *awar_2_color, GB_FIND)); if (XAllocNamedColor(p_global->display,p_global->colormap,name_of_color, &xcolor_returned,&xcolor_exakt) == 0) { fprintf(stderr,"XAllocColor failed: %s\n",name_of_color); } else { p_global->color_table[color] = xcolor_returned.pixel; } } p_global->foreground= BlackPixelOfScreen( XtScreen(p_global->toplevel_widget) ); XtVaGetValues(p_global->toplevel_widget,XmNbackground, &p_global->background, NULL); } // AW_WINDOW_DRAG see init_devices } static void aw_message_forwarder(const char *msg) { aw_message(msg); } static void aw_message_forwarder_verbose(const char *msg) { fprintf(stderr, "ARB: %s\n", msg); // print to console as well aw_message(msg); } static int aw_status_dummy(double val) { return aw_status(val); } static int aw_status_dummy2(const char *val) { return aw_status((char *)val); } void AW_root::init_root(const char *programmname, bool no_exit) { // Initialisiert eine gesamte X-Anwendung int a = 0; int i; XFontStruct *fontstruct; char buffer[256]; char *fallback_resources[100]; p_r-> no_exit = no_exit; program_name = strdup(programmname); for (i=0; i<1000; i++) { if (aw_fb[i].fb == 0) break; sprintf(buffer, "*%s: %s", aw_fb[i].fb, GB_read_char_pntr(GB_search( (GBDATA*)application_database, aw_fb[i].awar, GB_FIND))); fallback_resources[i] = strdup(buffer); } fallback_resources[i] = 0; GB_install_error_handler((gb_warning_func_type)aw_message_forwarder_verbose); GB_install_warning((gb_warning_func_type)aw_message_forwarder); GB_install_information((gb_information_func_type)0); // 0 means -> write to stdout only GB_install_status((gb_status_func_type)aw_status_dummy); GB_install_status2((gb_status_func2_type)aw_status_dummy2); // @@@ FIXME: the next line hangs if program runs inside debugger p_r->toplevel_widget = XtOpenApplication(&(p_r->context), programmname, NULL, 0, // XrmOptionDescRec+numOpts &a, /*&argc*/ NULL, /*argv*/ fallback_resources, applicationShellWidgetClass, // widget class NULL, 0); for (i=0; i<1000 && fallback_resources[i]; i++) { free(fallback_resources[i]); } p_r->display = XtDisplay(p_r->toplevel_widget); if (p_r->display == NULL) { printf("cannot open display\n"); exit(-1); } { GBDATA *gbd = (GBDATA*)application_database; const char *font = GB_read_char_pntr(GB_search(gbd, "window/font", GB_FIND)); if ( !(fontstruct = XLoadQueryFont( p_r->display, font))) { if ( !(fontstruct = XLoadQueryFont( p_r->display, "fixed"))) { printf("can not load font\n"); exit( -1); } } } if (fontstruct->max_bounds.width == fontstruct->min_bounds.width) { font_width = fontstruct->max_bounds.width; } else { font_width = (fontstruct->min_bounds.width + fontstruct->max_bounds.width) / 2; } font_height = fontstruct->max_bounds.ascent + fontstruct->max_bounds.descent; font_ascent = fontstruct->max_bounds.ascent; p_r->fontlist = XmFontListCreate(fontstruct,XmSTRING_DEFAULT_CHARSET); p_r->button_list = 0; p_r->config_list = new AW_config_struct( "", AWM_ALL, NULL, "Programmer Name", "SH", NULL ); p_r->last_config = p_r->config_list; p_r->last_option_menu = p_r->current_option_menu = p_r->option_menu_list = NULL; p_r->last_toggle_field = p_r->toggle_field_list = NULL; p_r->last_selection_list = p_r->selection_list = NULL; value_changed = false; y_correction_for_input_labels = 5; global_mask = AWM_ALL; p_r->screen_depth = PlanesOfScreen( XtScreen(p_r->toplevel_widget) ); if (p_r->screen_depth == 1) { color_mode = AW_MONO_COLOR; } else { color_mode = AW_RGB_COLOR; } p_r->colormap = DefaultColormapOfScreen( XtScreen(p_r->toplevel_widget) ); p_r->clock_cursor = XCreateFontCursor(XtDisplay(p_r->toplevel_widget),XC_watch); p_r->question_cursor = XCreateFontCursor(XtDisplay(p_r->toplevel_widget),XC_question_arrow); aw_root_create_color_map(this); aw_root_init_font(XtDisplay(p_r->toplevel_widget)); aw_install_xkeys(XtDisplay(p_r->toplevel_widget)); } /***********************************************************************/ void AW_window::_get_area_size(AW_area area, AW_rectangle *square) { AW_area_management *aram= MAP_ARAM(area); *square = aram->common->screen; } /***********************************************************************/ static void horizontal_scrollbar_redefinition_cb(class AW_root *aw_root, AW_CL cd1, AW_CL cd2) { AW_rectangle screen; AWUSE(aw_root); char buffer[200]; AW_window *aw = (AW_window *)cd1; Widget w = (Widget)cd2; aw->_get_area_size(AW_MIDDLE_AREA, &screen); sprintf(buffer, "window/%s/horizontal_page_increment", aw->window_defaults_name); XtVaSetValues(w, XmNpageIncrement, (int)((screen.r -aw->left_indent_of_horizontal_scrollbar)*(aw->get_root()->awar( buffer )->read_int()*0.01)), NULL); sprintf(buffer, "window/%s/scroll_width_horizontal", aw->window_defaults_name); XtVaSetValues(w, XmNincrement, (int)(aw->get_root()->awar( buffer )->read_int()), NULL); sprintf(buffer, "window/%s/scroll_delay_horizontal", aw->window_defaults_name); XtVaSetValues(w, XmNrepeatDelay, (int)(aw->get_root()->awar( buffer )->read_int()), NULL); } static void vertical_scrollbar_redefinition_cb(class AW_root *aw_root, AW_CL cd1, AW_CL cd2) { AW_rectangle screen; AWUSE(aw_root); char buffer[200]; AW_window *aw = (AW_window *)cd1; Widget w = (Widget)cd2; aw->_get_area_size(AW_MIDDLE_AREA, &screen); sprintf(buffer, "window/%s/vertical_page_increment", aw->window_defaults_name); XtVaSetValues(w, XmNpageIncrement, (int)((screen.b -aw->top_indent_of_vertical_scrollbar -aw->bottom_indent_of_vertical_scrollbar)*(aw->get_root()->awar( buffer )->read_int()*0.01)), NULL); sprintf(buffer, "window/%s/scroll_width_vertical", aw->window_defaults_name); XtVaSetValues(w, XmNincrement, (int)(aw->get_root()->awar( buffer )->read_int()), NULL); sprintf(buffer, "window/%s/scroll_delay_vertical", aw->window_defaults_name); XtVaSetValues(w, XmNrepeatDelay, (int)(aw->get_root()->awar( buffer )->read_int()), NULL); } void AW_window::create_window_variables(void) { char buffer[200]; memset(buffer, 0, 200); sprintf(buffer, "window/%s/horizontal_page_increment", window_defaults_name); get_root()->awar_int(buffer, 50, get_root()->application_database); get_root()->awar( buffer)->add_callback( (AW_RCB)horizontal_scrollbar_redefinition_cb, (AW_CL)this, (AW_CL)p_w->scroll_bar_horizontal ); sprintf(buffer, "window/%s/vertical_page_increment", window_defaults_name); get_root()->awar_int(buffer, 50, get_root()->application_database); get_root()->awar( buffer)->add_callback( (AW_RCB)vertical_scrollbar_redefinition_cb, (AW_CL)this, (AW_CL)p_w->scroll_bar_vertical ); sprintf(buffer, "window/%s/scroll_delay_vertical", window_defaults_name); get_root()->awar_int(buffer, 20, get_root()->application_database); get_root()->awar( buffer)->add_callback( (AW_RCB)vertical_scrollbar_redefinition_cb, (AW_CL)this, (AW_CL)p_w->scroll_bar_vertical ); sprintf(buffer, "window/%s/scroll_delay_horizontal", window_defaults_name); get_root()->awar_int(buffer, 20, get_root()->application_database); get_root()->awar( buffer)->add_callback( (AW_RCB)horizontal_scrollbar_redefinition_cb, (AW_CL)this, (AW_CL)p_w->scroll_bar_horizontal ); sprintf(buffer, "window/%s/scroll_width_horizontal", window_defaults_name); get_root()->awar_int(buffer, 9, get_root()->application_database); get_root()->awar( buffer)->add_callback( (AW_RCB)horizontal_scrollbar_redefinition_cb, (AW_CL)this, (AW_CL)p_w->scroll_bar_horizontal ); sprintf(buffer, "window/%s/scroll_width_vertical", window_defaults_name); get_root()->awar_int(buffer, 20, get_root()->application_database); get_root()->awar( buffer)->add_callback( (AW_RCB)vertical_scrollbar_redefinition_cb, (AW_CL)this, (AW_CL)p_w->scroll_bar_vertical ); } /***********************************************************************/ void AW_area_management::create_devices(AW_window *aww, AW_area ar) { AW_root *root =aww->get_root(); common = new AW_common(aww,ar,XtDisplay(area),XtWindow(area),p_global->color_table, (unsigned int **)&aww->color_table, &aww->color_table_size ); } const char *AW_window::GC_to_RGB(AW_device *device, int gc, int& red, int& green, int& blue) { AW_common *common = device->common; AW_GC_Xm *gcm= AW_MAP_GC(gc); aw_assert(gcm); unsigned pixel = (unsigned short)(gcm->color); GB_ERROR error = 0; XColor query_color; query_color.pixel = pixel; XQueryColor(p_global->display, p_global->colormap, &query_color); // @@@ FIXME: error handling! red = query_color.red; green = query_color.green; blue = query_color.blue; if (error) { red = green = blue = -1; } return error; } // Converts GC to RGB float values to the range (0 - 1.0) const char *AW_window::GC_to_RGB_float(AW_device *device, int gc, float& red, float& green, float& blue) { AW_common *common = device->common; AW_GC_Xm *gcm= AW_MAP_GC(gc); aw_assert(gcm); unsigned pixel = (unsigned short)(gcm->color); GB_ERROR error = 0; XColor query_color; query_color.pixel = pixel; XQueryColor(p_global->display, p_global->colormap, &query_color); // @@@ FIXME: error handling! red = query_color.red/65535.0; green = query_color.green/65535.0; blue = query_color.blue/65535.0; if (error) { red = green = blue = 1.0f; } return error; } AW_color AW_window::alloc_named_data_color(int colnum, char *colorname) { if (!color_table_size) { color_table_size = AW_COLOR_MAX + colnum; color_table = (unsigned long *)malloc(sizeof(unsigned long) *color_table_size); memset((char *)color_table, -1, (size_t)(color_table_size *sizeof(unsigned long))); } else { if (colnum>=color_table_size) { color_table = (unsigned long *)realloc((char *)color_table, (8 + colnum)*sizeof(long)); // valgrinders : never free'd because AW_window never is free'd memset( (char *)(color_table+color_table_size), -1, (int)(8 + colnum - color_table_size) * sizeof(long)); color_table_size = 8+colnum; } } XColor xcolor_returned, xcolor_exakt; if (p_global->screen_depth == 1) { //Black and White Monitor static int col = 1; if (colnum == AW_DATA_BG) { col =1; if (strcmp(colorname, "white")) col *=-1; } if (col==1) { color_table[colnum] = WhitePixelOfScreen( XtScreen(p_global->toplevel_widget) ); } else { color_table[colnum] = BlackPixelOfScreen( XtScreen(p_global->toplevel_widget) ); } if (colnum == AW_DATA_BG) col *=-1; } else { // Color monitor if (color_table[colnum] !=(unsigned long)-1 ) { XFreeColors(p_global->display, p_global->colormap, &color_table[colnum],1,0); } if (XAllocNamedColor(p_global->display,p_global->colormap,colorname, &xcolor_returned,&xcolor_exakt) == 0) { sprintf(AW_ERROR_BUFFER, "XAllocColor failed: %s\n", colorname); aw_message(); color_table[colnum] = (unsigned long)-1; } else { color_table[colnum] = xcolor_returned.pixel; } } if (colnum == AW_DATA_BG) { XtVaSetValues(p_w->areas[AW_MIDDLE_AREA]->area, XmNbackground, color_table[colnum], NULL); } return (AW_color)colnum; } void AW_window::create_devices(void) { unsigned long background_color; if (p_w->areas[AW_INFO_AREA]) { p_w->areas[AW_INFO_AREA]->create_devices(this, AW_INFO_AREA); XtVaGetValues(p_w->areas[AW_INFO_AREA]->area, XmNbackground, &background_color, NULL); p_global->color_table[AW_WINDOW_DRAG] = background_color ^ p_global->color_table[AW_WINDOW_FG]; } if (p_w->areas[AW_MIDDLE_AREA]) { p_w->areas[AW_MIDDLE_AREA]->create_devices(this, AW_MIDDLE_AREA); } if (p_w->areas[AW_BOTTOM_AREA]) { p_w->areas[AW_BOTTOM_AREA]->create_devices(this, AW_BOTTOM_AREA); } } void AW_help_entry_pressed(AW_window *aww) { AW_root *root = aww->get_root(); p_global->help_active = 1; } void aw_create_help_entry(AW_window *aww) { aww->insert_help_topic("Click here and then on the questionable button/menu/...", "P", 0, AWM_ALL, (AW_CB)AW_help_entry_pressed, 0, 0); } /****************************************************************************************************************************/ /****************************************************************************************************************************/ /****************************************************************************************************************************/ const char *aw_str_2_label(const char *str, AW_window *aww) { aw_assert(str); static const char *last_label = 0; static const char *last_str = 0; static AW_window *last_aww = 0; const char *label; if (str == last_str && aww == last_aww) { // reuse result ? label = last_label; } else { if (str[0] == '#') { label = GB_path_in_ARBLIB("pixmaps", str+1); } else { AW_awar *is_awar = aww->get_root()->label_is_awar(str); if (is_awar) { // for labels displaying awar values, insert dummy text here int wanted_len = aww->_at->length_of_buttons - 2; if (wanted_len < 1) wanted_len = 1; char *labelbuf = GB_give_buffer(wanted_len+1); memset(labelbuf, 'y', wanted_len); labelbuf[wanted_len] = 0; label = labelbuf; } else { label = str; } } // store results locally, cause aw_str_2_label is nearly always called twice with same arguments // (see RES_LABEL_CONVERT) last_label = label; last_str = str; last_aww = aww; } return label; } void AW_label_in_awar_list(AW_window *aww, Widget widget, const char *str) { AW_awar *is_awar = aww->get_root()->label_is_awar(str); if (is_awar) { char *var_value = is_awar->read_as_string(); if (var_value) { aww->update_label((int*)widget, var_value); } else { AW_ERROR("AW_label_in_awar_list:: AWAR %s not found\n", str); aww->update_label((int*)widget, str); } free(var_value); AW_INSERT_BUTTON_IN_AWAR_LIST(is_awar, 0, widget, AW_WIDGET_LABEL_FIELD, aww); } } /*********************************************************************************************/ /*********************************************************************************************/ /*********************************************************************************************/ static void aw_window_avoid_destroy_cb(Widget, AW_window *, XmAnyCallbackStruct *) { aw_message("If YOU do not know what to answer, how should ARB know?\nPlease think again and answer the prompt!"); } static void aw_window_noexit_destroy_cb(Widget , AW_window *aww, XmAnyCallbackStruct *) { aww->hide(); // don't exit, when using destroy callback } static void aw_window_destroy_cb(Widget , AW_window *aww, XmAnyCallbackStruct *) { AW_root *root = aww->get_root(); if ( (p_global->main_aww == aww) || !p_global->main_aww->is_shown()) { #ifdef NDEBUG if (aw_question("Are you sure to quit?","YES,NO") ) return; #endif exit(0); } aww->hide(); } static long aw_loop_get_window_geometry(const char *, long val, void *) { AW_window *aww = (AW_window *)val; short posx, posy; AW_root *root = aww->get_root(); unsigned short width, height, borderwidth; XtVaGetValues( p_aww(aww)->shell , // bad hack XmNborderWidth, &borderwidth, XmNwidth, &width, XmNheight, &height, XmNx, &posx, XmNy, &posy, NULL); if ( p_aww(aww)->WM_top_offset != -1000) { posy -= p_aww(aww)->WM_top_offset; } posx -= p_aww(aww)->WM_left_offset; if (posx<0) posx = 0; if (posy<0) posy = 0; root->awar(aw_awar_name_width (aww))->write_int(width); root->awar(aw_awar_name_height(aww))->write_int(height); root->awar(aw_awar_name_posx (aww))->write_int(posx); root->awar(aw_awar_name_posy (aww))->write_int(posy); return val; } void aw_update_awar_window_geometry(AW_root *awr) { GBS_hash_do_loop(awr->hash_for_windows, aw_loop_get_window_geometry, NULL); } static const char *existingPixmap(const char *iconpath, const char *name) { const char *icon = GBS_global_string("%s/%s.xpm", iconpath, name); if (!GB_is_regularfile(icon)) { icon = GBS_global_string("%s/%s.bitmap", iconpath, name); if (!GB_is_regularfile(icon)) icon = NULL; } return icon; } static Pixmap getIcon(Screen *screen, const char *iconName, Pixel foreground, Pixel background) { static GB_HASH *icon_hash = 0; if (!icon_hash) icon_hash = GBS_create_hash(100, GB_MIND_CASE); Pixmap pixmap = GBS_read_hash(icon_hash, iconName); if (!pixmap && iconName) { const char *iconpath = GB_path_in_ARBLIB("pixmaps/icons", NULL); const char *iconFile = existingPixmap(iconpath, iconName); if (iconFile) { char *ico = strdup(iconFile); pixmap = XmGetPixmap(screen, ico, foreground, background); GBS_write_hash(icon_hash, iconName, pixmap); free(ico); } } return pixmap; } Widget aw_create_shell(AW_window *aww, bool allow_resize, bool allow_close, int width, int height, int posx, int posy) { AW_root *root = aww->get_root(); Widget shell; // set minimum window size to size provided by init if (width >aww->_at->max_x_size) aww->_at->max_x_size = width; if (height>aww->_at->max_y_size) aww->_at->max_y_size = height; if ( !GBS_read_hash(root->hash_for_windows, aww->get_window_id())) { GBS_write_hash(root->hash_for_windows, aww->get_window_id(), (long)aww); bool has_user_geometry = false; const char *temp= aw_awar_name_width(aww); root->awar_int(temp, width); if (allow_resize) { int found_width = (int)root->awar(temp)->read_int(); if (width != found_width) { has_user_geometry = true; width = found_width; } } temp = aw_awar_name_height(aww); root->awar_int(temp, height); if (allow_resize) { int found_height = (int)root->awar(temp)->read_int(); if (height != found_height) { has_user_geometry = true; height = found_height; } } temp = aw_awar_name_posx(aww); root->awar_int(temp,posx)->set_minmax(0, 4000); // @@@ FIXME: maximum should be set to current screen size minus some offset // to ensure that windows do not appear outside screen // same for posy below! int found_posx = (int)root->awar(temp)->read_int(); if (posx != found_posx) { has_user_geometry = true; posx = found_posx; } temp = aw_awar_name_posy(aww); root->awar_int(temp,posy)->set_minmax(0, 3000); int found_posy = (int)root->awar(temp)->read_int(); if (posy != found_posy) { has_user_geometry = true; posy = found_posy; } if (has_user_geometry) { #if defined(DEBUG) // printf("User geometry detected for window '%s'\n", aww->window_defaults_name); #endif // DEBUG aww->recalc_size_at_show = 2; // keep user geometry (only if user size is smaller than default size, the latter is used) } } if (allow_resize) { // create the window big enough to ensure that all widgets // are created in visible area (otherwise widget are crippled). // window will be resized later (on show) width = 4000; height = 3000; if (!aww->recalc_size_at_show) aww->recalc_size_at_show = 1; } Widget father = p_global->toplevel_widget; Screen *screen = XtScreen(father); Pixmap icon_pixmap = getIcon(screen, aww->window_defaults_name, p_global->foreground, p_global->background); if (!icon_pixmap) { icon_pixmap = getIcon(screen, root->program_name, p_global->foreground, p_global->background); } if (!icon_pixmap) { AW_ERROR("Error: Missing icon pixmap for window '%s'\n", aww->window_defaults_name); } else if (icon_pixmap == XmUNSPECIFIED_PIXMAP) { AW_ERROR("Error: Failed to load icon pixmap for window '%s'\n", aww->window_defaults_name); } if (!p_global->main_widget || !p_global->main_aww->is_shown()) { shell = XtVaCreatePopupShell("editor", applicationShellWidgetClass, father, XmNwidth, width, XmNheight, height, XmNx, posx, XmNy, posy, XmNtitle, aww->window_name, XmNiconName, aww->window_name, XmNkeyboardFocusPolicy, XmEXPLICIT, XmNdeleteResponse, XmDO_NOTHING, XtNiconPixmap, icon_pixmap, NULL); } else { shell = XtVaCreatePopupShell("transient", transientShellWidgetClass, father, XmNwidth, width, XmNheight, height, XmNx, posx, XmNy, posy, XmNtitle, aww->window_name, XmNiconName, aww->window_name, XmNkeyboardFocusPolicy, XmEXPLICIT, XmNdeleteResponse, XmDO_NOTHING, XtNiconPixmap, icon_pixmap, NULL); } XtAddEventHandler(shell, EnterWindowMask, FALSE, AW_root_focusCB, (XtPointer) aww->get_root()); if (!p_global->main_widget) { p_global->main_widget = shell; p_global->main_aww = aww; } else { if ( !p_global->main_aww->is_shown()) { // now i am the root window p_global->main_widget = shell; p_global->main_aww = aww; } } Atom WM_DELETE_WINDOW = XmInternAtom(XtDisplay(shell), (char*)"WM_DELETE_WINDOW", False); if (allow_close == false) { XmAddWMProtocolCallback(shell, WM_DELETE_WINDOW, (XtCallbackProc)aw_window_avoid_destroy_cb,(caddr_t)aww); } else if (p_global->no_exit) { XmAddWMProtocolCallback(shell, WM_DELETE_WINDOW, (XtCallbackProc)aw_window_noexit_destroy_cb,(caddr_t)aww); } else { XmAddWMProtocolCallback(shell, WM_DELETE_WINDOW, (XtCallbackProc)aw_window_destroy_cb,(caddr_t)aww); } // set icon window (for window managers where iconified applications are dropped onto desktop or similar) { Window icon_window; XtVaGetValues(shell, XmNiconWindow, &icon_window, NULL); Display *dpy = XtDisplay(shell); if (!icon_window) { XSetWindowAttributes attr; attr.background_pixmap = icon_pixmap; int xpos, ypos; unsigned int xsize, ysize, borderwidth, depth; Window wroot; if (XGetGeometry(dpy, icon_pixmap, &wroot, &xpos, &ypos, &xsize, &ysize, &borderwidth, &depth)) { icon_window = XCreateWindow(dpy, wroot, 0, 0, xsize, ysize, 0, depth, CopyFromParent, CopyFromParent, CWBackPixmap, &attr); } } if (!icon_window) { XtVaSetValues(shell, XmNiconPixmap, icon_pixmap, NULL); } else { XtVaSetValues(shell, XmNiconWindow, icon_window, NULL); XSetWindowBackgroundPixmap(dpy, icon_window, icon_pixmap); XClearWindow(dpy, icon_window); } } return shell; } void aw_realize_widget(AW_window *aww) { if ( p_aww(aww)->areas[AW_INFO_AREA] && p_aww(aww)->areas[AW_INFO_AREA]->form) { XtManageChild(p_aww(aww)->areas[AW_INFO_AREA]->form); } if ( p_aww(aww)->areas[AW_MIDDLE_AREA] && p_aww(aww)->areas[AW_MIDDLE_AREA]->form) { XtManageChild(p_aww(aww)->areas[AW_MIDDLE_AREA]->form); } if ( p_aww(aww)->areas[AW_BOTTOM_AREA] && p_aww(aww)->areas[AW_BOTTOM_AREA]->form) { XtManageChild(p_aww(aww)->areas[AW_BOTTOM_AREA]->form); } XtRealizeWidget( p_aww(aww)->shell); p_aww(aww)->WM_top_offset = -1000; } void AW_window_menu_modes::init(AW_root *root_in, const char *wid, const char *windowname, int width, int height) { Widget main_window; Widget help_popup; Widget help_label; Widget separator; Widget form1; Widget form2; //Widget frame; const char *help_button = "HELP"; const char *help_mnemonic = "H"; #if defined(DUMP_MENU_LIST) initMenuListing(windowname); #endif // DUMP_MENU_LIST root = root_in; // for makro window_name = strdup(windowname); window_defaults_name = GBS_string_2_key(wid); int posx = 50; int posy = 50; p_w->shell= aw_create_shell(this, true, true, width, height, posx, posy); main_window = XtVaCreateManagedWidget("mainWindow1", xmMainWindowWidgetClass, p_w->shell, NULL); p_w->menu_bar[0] = XtVaCreateManagedWidget("menu1", xmRowColumnWidgetClass, main_window, XmNrowColumnType, XmMENU_BAR, NULL); // create shell for help-cascade help_popup = XtVaCreatePopupShell("menu_shell", xmMenuShellWidgetClass, p_w->menu_bar[0], XmNwidth, 1, XmNheight, 1, XmNallowShellResize, true, XmNoverrideRedirect, true, NULL); //create row column in Pull-Down shell p_w->help_pull_down = XtVaCreateWidget("menu_row_column", xmRowColumnWidgetClass, help_popup, XmNrowColumnType, XmMENU_PULLDOWN, NULL); // create HELP-label in menu bar help_label = XtVaCreateManagedWidget("menu1_top_b1", xmCascadeButtonWidgetClass, p_w->menu_bar[0], RES_CONVERT( XmNlabelString, help_button ), RES_CONVERT( XmNmnemonic, help_mnemonic ), XmNsubMenuId, p_w->help_pull_down, NULL ); XtVaSetValues(p_w->menu_bar[0], XmNmenuHelpWidget, help_label, NULL); root->make_sensitive(help_label, AWM_ALL); form1 = XtVaCreateManagedWidget( "form1", xmFormWidgetClass, main_window, // XmNwidth, width, // XmNheight, height, XmNresizePolicy, XmRESIZE_NONE, // XmNx, 0, // XmNy, 0, NULL); p_w->mode_area = XtVaCreateManagedWidget( "mode area", xmDrawingAreaWidgetClass, form1, XmNresizePolicy, XmRESIZE_NONE, XmNwidth, 38, XmNheight, height, XmNx, 0, XmNy, 0, XmNleftOffset, 0, XmNtopOffset, 0, XmNbottomAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_POSITION, XmNtopAttachment, XmATTACH_POSITION, XmNmarginHeight, 2, XmNmarginWidth, 1, NULL); separator = XtVaCreateManagedWidget( "separator", xmSeparatorWidgetClass, form1, XmNx, 37, XmNshadowThickness, 4, XmNorientation, XmVERTICAL, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_NONE, XmNleftWidget, NULL, XmNrightAttachment, XmATTACH_NONE, XmNleftOffset, 70, XmNleftPosition, 0, NULL); form2 = XtVaCreateManagedWidget( "form2", xmFormWidgetClass, form1, XmNwidth, width, XmNheight, height, XmNtopOffset, 0, XmNbottomOffset, 0, XmNleftOffset, 0, XmNrightOffset, 0, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_WIDGET, XmNleftWidget, separator, XmNtopAttachment, XmATTACH_POSITION, XmNresizePolicy, XmRESIZE_NONE, XmNx, 0, XmNy, 0, NULL); p_w->areas[AW_INFO_AREA] = new AW_area_management(root, form2, XtVaCreateManagedWidget( "info_area", xmDrawingAreaWidgetClass, form2, XmNheight, 0, XmNbottomAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, XmNmarginHeight, 2, XmNmarginWidth, 2, NULL)); p_w->areas[AW_BOTTOM_AREA] = new AW_area_management(root, form2, XtVaCreateManagedWidget( "bottom_area", xmDrawingAreaWidgetClass, form2, XmNheight, 0, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_NONE, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, NULL)); p_w->scroll_bar_horizontal = XtVaCreateManagedWidget( "scroll_bar_horizontal", xmScrollBarWidgetClass, form2, XmNheight, 15, XmNminimum, 0, XmNmaximum, AW_SCROLL_MAX, XmNincrement, 10, XmNsliderSize, AW_SCROLL_MAX, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_FORM, XmNbottomOffset, 0, XmNleftAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_NONE, XmNorientation, XmHORIZONTAL, XmNrightOffset, 18, NULL ); p_w->scroll_bar_vertical = XtVaCreateManagedWidget( "scroll_bar_vertical", xmScrollBarWidgetClass, form2, XmNwidth, 15, XmNminimum, 0, XmNmaximum, AW_SCROLL_MAX, XmNincrement, 10, XmNsliderSize, AW_SCROLL_MAX, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_WIDGET, XmNbottomWidget, p_w->scroll_bar_horizontal, XmNbottomOffset, 3, XmNleftOffset, 3, XmNrightOffset, 3, XmNleftAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_WIDGET, XmNtopWidget, INFO_WIDGET, NULL ); p_w->frame = XtVaCreateManagedWidget( "draw_area", xmFrameWidgetClass, form2, XmNshadowType, XmSHADOW_IN, XmNshadowThickness, 2, XmNleftOffset, 3, XmNtopOffset, 3, XmNbottomOffset, 3, XmNrightOffset, 3, XmNbottomAttachment, XmATTACH_WIDGET, XmNbottomWidget, p_w->scroll_bar_horizontal, XmNtopAttachment, XmATTACH_FORM, XmNtopOffset, 0, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_WIDGET, XmNrightWidget, p_w->scroll_bar_vertical, NULL); p_w->areas[AW_MIDDLE_AREA] = new AW_area_management(root,p_w->frame, XtVaCreateManagedWidget( "draw area", xmDrawingAreaWidgetClass, p_w->frame, XmNmarginHeight, 0, XmNmarginWidth, 0, NULL)); XmMainWindowSetAreas( main_window, p_w->menu_bar[0], (Widget) NULL, (Widget) NULL, (Widget) NULL, form1 ); aw_realize_widget(this); create_devices(); aw_create_help_entry(this); create_window_variables(); } void AW_window_menu::init(AW_root *root_in, const char *wid, const char *windowname, int width, int height) { Widget main_window; Widget help_popup; Widget help_label; Widget separator; Widget form1; Widget form2; //Widget frame; const char *help_button = "HELP"; const char *help_mnemonic = "H"; #if defined(DUMP_MENU_LIST) initMenuListing(windowname); #endif // DUMP_MENU_LIST root = root_in; // for makro window_name = strdup(windowname); window_defaults_name = GBS_string_2_key(wid); int posx = 50; int posy = 50; p_w->shell= aw_create_shell(this, true, true, width, height, posx, posy); main_window = XtVaCreateManagedWidget("mainWindow1", xmMainWindowWidgetClass, p_w->shell, NULL); p_w->menu_bar[0] = XtVaCreateManagedWidget("menu1", xmRowColumnWidgetClass, main_window, XmNrowColumnType, XmMENU_BAR, NULL); // create shell for help-cascade help_popup = XtVaCreatePopupShell("menu_shell", xmMenuShellWidgetClass, p_w->menu_bar[0], XmNwidth, 1, XmNheight, 1, XmNallowShellResize, true, XmNoverrideRedirect, true, NULL); //create row column in Pull-Down shell p_w->help_pull_down = XtVaCreateWidget("menu_row_column", xmRowColumnWidgetClass, help_popup, XmNrowColumnType, XmMENU_PULLDOWN, NULL); // create HELP-label in menu bar help_label = XtVaCreateManagedWidget("menu1_top_b1", xmCascadeButtonWidgetClass, p_w->menu_bar[0], RES_CONVERT( XmNlabelString, help_button ), RES_CONVERT( XmNmnemonic, help_mnemonic ), XmNsubMenuId, p_w->help_pull_down, NULL ); XtVaSetValues(p_w->menu_bar[0], XmNmenuHelpWidget, help_label, NULL); root->make_sensitive(help_label, AWM_ALL); form1 = XtVaCreateManagedWidget( "form1", xmFormWidgetClass, main_window, // XmNwidth, width, // XmNheight, height, XmNresizePolicy, XmRESIZE_NONE, // XmNx, 0, // XmNy, 0, NULL); p_w->mode_area = XtVaCreateManagedWidget( "mode area", xmDrawingAreaWidgetClass, form1, XmNresizePolicy, XmRESIZE_NONE, XmNwidth, 17, XmNheight, height, XmNx, 0, XmNy, 0, XmNleftOffset, 0, XmNtopOffset, 0, XmNbottomAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_POSITION, XmNtopAttachment, XmATTACH_POSITION, XmNmarginHeight, 2, XmNmarginWidth, 1, NULL); separator = p_w->mode_area; form2 = XtVaCreateManagedWidget( "form2", xmFormWidgetClass, form1, XmNwidth, width, XmNheight, height, XmNtopOffset, 0, XmNbottomOffset, 0, XmNleftOffset, 0, XmNrightOffset, 0, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_WIDGET, XmNleftWidget, separator, XmNtopAttachment, XmATTACH_POSITION, XmNresizePolicy, XmRESIZE_NONE, XmNx, 0, XmNy, 0, NULL); p_w->areas[AW_INFO_AREA] = new AW_area_management(root,form2, XtVaCreateManagedWidget( "info_area", xmDrawingAreaWidgetClass, form2, XmNheight, 0, XmNbottomAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, XmNmarginHeight, 2, XmNmarginWidth, 2, NULL)); p_w->areas[AW_BOTTOM_AREA] = new AW_area_management(root,form2, XtVaCreateManagedWidget( "bottom_area", xmDrawingAreaWidgetClass, form2, XmNheight, 0, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_NONE, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, NULL)); p_w->scroll_bar_horizontal = XtVaCreateManagedWidget( "scroll_bar_horizontal", xmScrollBarWidgetClass, form2, XmNheight, 15, XmNminimum, 0, XmNmaximum, AW_SCROLL_MAX, XmNincrement, 10, XmNsliderSize, AW_SCROLL_MAX, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_FORM, XmNbottomOffset, 0, XmNleftAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_NONE, XmNorientation, XmHORIZONTAL, XmNrightOffset, 18, NULL ); p_w->scroll_bar_vertical = XtVaCreateManagedWidget( "scroll_bar_vertical", xmScrollBarWidgetClass, form2, XmNwidth, 15, XmNminimum, 0, XmNmaximum, AW_SCROLL_MAX, XmNincrement, 10, XmNsliderSize, AW_SCROLL_MAX, XmNrightAttachment, XmATTACH_FORM, XmNbottomAttachment, XmATTACH_WIDGET, XmNbottomWidget, p_w->scroll_bar_horizontal, XmNbottomOffset, 3, XmNleftOffset, 3, XmNrightOffset, 3, XmNleftAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_WIDGET, XmNtopWidget, INFO_WIDGET, NULL ); p_w->frame = XtVaCreateManagedWidget( "draw_area", xmFrameWidgetClass, form2, XmNshadowType, XmSHADOW_IN, XmNshadowThickness, 2, XmNleftOffset, 3, XmNtopOffset, 3, XmNbottomOffset, 3, XmNrightOffset, 3, XmNbottomAttachment, XmATTACH_WIDGET, XmNbottomWidget, p_w->scroll_bar_horizontal, XmNtopAttachment, XmATTACH_FORM, XmNtopOffset, 0, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_WIDGET, XmNrightWidget, p_w->scroll_bar_vertical, NULL); p_w->areas[AW_MIDDLE_AREA] = new AW_area_management(root,p_w->frame, XtVaCreateManagedWidget( "draw area", xmDrawingAreaWidgetClass, p_w->frame, XmNmarginHeight, 0, XmNmarginWidth, 0, NULL)); XmMainWindowSetAreas( main_window, p_w->menu_bar[0], (Widget) NULL, (Widget) NULL, (Widget) NULL, form1 ); aw_realize_widget(this); create_devices(); aw_create_help_entry(this); create_window_variables(); } void AW_window_simple::init(AW_root *root_in, const char *wid, const char *windowname) { //Arg args[10]; root = root_in; // for makro int width = 100; // this is only the minimum size! int height = 100; int posx = 50; int posy = 50; window_name = strdup(windowname); window_defaults_name = GBS_string_2_key(wid); p_w->shell= aw_create_shell(this, true, true, width, height, posx, posy); // add this to disable resize or maximize in simple dialogs (avoids broken layouts) // XtVaSetValues(p_w->shell, XmNmwmFunctions, MWM_FUNC_MOVE | MWM_FUNC_CLOSE, // NULL); Widget form1 = XtVaCreateManagedWidget("forms", xmFormWidgetClass, p_w->shell, NULL); p_w->areas[AW_INFO_AREA] = new AW_area_management(root,form1, XtVaCreateManagedWidget( "info_area", xmDrawingAreaWidgetClass, form1, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, XmNmarginHeight, 2, XmNmarginWidth, 2, NULL)); aw_realize_widget(this); create_devices(); } void AW_window_simple_menu::init(AW_root *root_in, const char *wid, const char *windowname) { // Arg args[10]; root = root_in; // for makro const char *help_button = "HELP"; const char *help_mnemonic = "H"; window_name = strdup(windowname); window_defaults_name = GBS_string_2_key(wid); int width = 100; int height = 100; int posx = 50; int posy = 50; p_w->shell= aw_create_shell(this, true, true, width, height, posx, posy); Widget main_window; Widget help_popup; Widget help_label; Widget form1; main_window = XtVaCreateManagedWidget("mainWindow1", xmMainWindowWidgetClass, p_w->shell, NULL); p_w->menu_bar[0] = XtVaCreateManagedWidget("menu1", xmRowColumnWidgetClass, main_window, XmNrowColumnType, XmMENU_BAR, NULL); // create shell for help-cascade help_popup = XtVaCreatePopupShell("menu_shell", xmMenuShellWidgetClass, p_w->menu_bar[0], XmNwidth, 1, XmNheight, 1, XmNallowShellResize, true, XmNoverrideRedirect, true, NULL); //create row column in Pull-Down shell p_w->help_pull_down = XtVaCreateWidget("menu_row_column", xmRowColumnWidgetClass, help_popup, XmNrowColumnType, XmMENU_PULLDOWN, NULL); // create HELP-label in menu bar help_label = XtVaCreateManagedWidget("menu1_top_b1", xmCascadeButtonWidgetClass, p_w->menu_bar[0], RES_CONVERT( XmNlabelString, help_button ), RES_CONVERT( XmNmnemonic, help_mnemonic ), XmNsubMenuId, p_w->help_pull_down, NULL ); XtVaSetValues(p_w->menu_bar[0], XmNmenuHelpWidget, help_label, NULL); root->make_sensitive(help_label, AWM_ALL); form1 = XtVaCreateManagedWidget( "form1", xmFormWidgetClass, main_window, XmNtopOffset, 10, XmNresizePolicy, XmRESIZE_NONE, NULL); p_w->areas[AW_INFO_AREA] = new AW_area_management(root, form1, XtVaCreateManagedWidget( "info_area", xmDrawingAreaWidgetClass, form1, XmNbottomAttachment, XmATTACH_FORM, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, XmNmarginHeight, 2, XmNmarginWidth, 2, NULL)); aw_realize_widget(this ); aw_create_help_entry(this); create_devices(); } void AW_window_message::init(AW_root *root_in, const char *windowname, bool allow_close) { // Arg args[10]; root = root_in; // for makro int width = 100; int height = 100; int posx = 50; int posy = 50; window_name = strdup(windowname); window_defaults_name = GBS_string_2_key(window_name); // create shell for message box p_w->shell= aw_create_shell(this, true, allow_close, width, height, posx, posy); // disable resize or maximize in simple dialogs (avoids broken layouts) XtVaSetValues(p_w->shell, XmNmwmFunctions, MWM_FUNC_MOVE | MWM_FUNC_CLOSE, NULL); p_w->areas[AW_INFO_AREA] = new AW_area_management(root,p_w->shell, XtVaCreateManagedWidget( "info_area", xmDrawingAreaWidgetClass, p_w->shell, XmNheight, 0, XmNbottomAttachment, XmATTACH_NONE, XmNtopAttachment, XmATTACH_FORM, XmNleftAttachment, XmATTACH_FORM, XmNrightAttachment, XmATTACH_FORM, NULL)); aw_realize_widget(this); // create_devices(); } void AW_window::set_info_area_height(int height) { XtVaSetValues(INFO_WIDGET, XmNheight, height, NULL); XtVaSetValues(p_w->frame, XmNtopOffset, height, NULL); } void AW_window::set_bottom_area_height(int height) { XtVaSetValues(BOTTOM_WIDGET, XmNheight, height, NULL); XtVaSetValues(p_w->scroll_bar_horizontal, XmNbottomOffset, (int)height, NULL); } void AW_window::set_vertical_scrollbar_top_indent(int indent) { XtVaSetValues(p_w->scroll_bar_vertical, XmNtopOffset, (int)indent, NULL); top_indent_of_vertical_scrollbar = indent; } void AW_window::set_vertical_scrollbar_bottom_indent(int indent) { XtVaSetValues(p_w->scroll_bar_vertical, XmNbottomOffset, (int)(3+indent), NULL); bottom_indent_of_vertical_scrollbar = indent; } void AW_root::apply_sensitivity(AW_active mask) { aw_assert(legal_mask(mask)); AW_buttons_struct *list; global_mask = mask; for (list = p_r->button_list; list; list = list->next) { XtSetSensitive(list->button, (list->mask & mask) ? True : False); } } void AW_window::select_mode(int mode) { if (mode >= p_w->number_of_modes) return; Widget oldwidget = p_w->modes_widgets[p_w->selected_mode]; p_w->selected_mode = mode; Widget widget = p_w->modes_widgets[p_w->selected_mode]; XtVaSetValues(oldwidget, XmNbackground, p_global->background, NULL); XtVaSetValues(widget, XmNbackground, p_global->foreground, NULL); } static void aw_mode_callback(AW_window *aww, long mode, AW_cb_struct *cbs) { aww->select_mode((int)mode); cbs->run_callback(); } #define MODE_BUTTON_OFFSET 34 inline int yoffset_for_mode_button(int button_number) { return button_number*MODE_BUTTON_OFFSET + (button_number/4)*8 + 2; } int AW_window::create_mode(const char *pixmap, const char *helpText, AW_active Mask, void (*f)(AW_window*, AW_CL, AW_CL), AW_CL cd1, AW_CL cd2) { aw_assert(legal_mask(Mask)); Widget button; TuneBackground(p_w->mode_area, TUNE_BUTTON); // set background color for mode-buttons const char *path = GB_path_in_ARBLIB("pixmaps", pixmap); int y = yoffset_for_mode_button(p_w->number_of_modes); button = XtVaCreateManagedWidget("", xmPushButtonWidgetClass, p_w->mode_area, XmNx, 0, XmNy, y, XmNlabelType, XmPIXMAP, XmNshadowThickness, 1, XmNbackground, _at->background_color, NULL); XtVaSetValues(button, RES_CONVERT( XmNlabelPixmap, path ),NULL ); XtVaGetValues(button,XmNforeground, &p_global->foreground, NULL); AW_cb_struct *cbs = new AW_cb_struct(this, f, cd1, cd2, 0); AW_cb_struct *cb2 = new AW_cb_struct(this, (AW_CB)aw_mode_callback, (AW_CL)p_w->number_of_modes, (AW_CL)cbs, helpText, cbs); XtAddCallback(button, XmNactivateCallback, (XtCallbackProc) AW_server_callback, (XtPointer) cb2); if (!p_w->modes_f_callbacks) { p_w->modes_f_callbacks = (AW_cb_struct **)GB_calloc(sizeof(AW_cb_struct*),AW_NUMBER_OF_F_KEYS); // valgrinders : never free'd because AW_window never is free'd } if (!p_w->modes_widgets) { p_w->modes_widgets = (Widget *)GB_calloc(sizeof(Widget),AW_NUMBER_OF_F_KEYS); } if (p_w->number_of_modesmodes_f_callbacks[p_w->number_of_modes] = cb2; p_w->modes_widgets[p_w->number_of_modes] = button; } root->make_sensitive(button, Mask); p_w->number_of_modes++; int ynext = yoffset_for_mode_button(p_w->number_of_modes); if (ynext> _at->max_y_size) _at->max_y_size = ynext; return p_w->number_of_modes; } // ------------------------ // Hotkey Checking // ------------------------ #ifdef DEBUG #define MAX_DEEP_TO_TEST 10 #define MAX_MENU_ITEMS_TO_TEST 50 static char *TD_menu_name = 0; static char TD_mnemonics[MAX_DEEP_TO_TEST][MAX_MENU_ITEMS_TO_TEST]; static int TD_topics[MAX_DEEP_TO_TEST]; struct SearchPossibilities { char *menu_topic; SearchPossibilities *next; SearchPossibilities(const char* menu_topic_, SearchPossibilities *next_) { menu_topic = strdup(menu_topic_); next = next_; } ~SearchPossibilities() { free(menu_topic); delete next; } }; typedef SearchPossibilities *SearchPossibilitiesPtr; static SearchPossibilitiesPtr TD_poss[MAX_DEEP_TO_TEST] = { 0 }; inline void addToPoss(int menu_deep, const char *topic_name) { TD_poss[menu_deep] = new SearchPossibilities(topic_name, TD_poss[menu_deep]); } inline char oppositeCase(char c) { return isupper(c) ? tolower(c) : toupper(c); } static void strcpy_overlapping(char *dest, char *src) { int src_len = strlen(src); memmove(dest, src, src_len+1); } static const char *possible_mnemonics(int menu_deep, const char *topic_name) { int t; static char *unused; freedup(unused, topic_name); for (t = 0; unused[t]; ++t) { bool remove = false; if (!isalnum(unused[t])) { // remove useless chars remove = true; } else { char *dup = strchr(unused, unused[t]); if (dup && (dup-unused)menu_topic); fprintf(stderr, " - Possibilities for '%s': '%s'\n", sp->menu_topic, poss); sp = sp->next; } delete TD_poss[menu_deep]; TD_poss[menu_deep] = 0; } static int menu_deep_check = 0; static void test_duplicate_mnemonics(int menu_deep, const char *topic_name, const char *mnemonic) { if (mnemonic && mnemonic[0] != 0) { if (mnemonic[1]) { // longer than 1 char -> wrong fprintf(stderr, "Warning: Hotkey '%s' is too long; only 1 character allowed (%s|%s)\n", mnemonic, TD_menu_name, topic_name); } if (topic_name[0] == '#') { // graphical menu if (mnemonic[0]) { fprintf(stderr, "Warning: Hotkey '%s' is useless for graphical menu entry (%s|%s)\n", mnemonic, TD_menu_name, topic_name); } } else { // fprintf(stderr, "- menu_deep=%i, TD_menu_name='%s', topic_name='%s' mnemonic='%s'\n", menu_deep, TD_menu_name, topic_name, mnemonic); if (strchr(topic_name, mnemonic[0])) { // occurs in menu text int topics = TD_topics[menu_deep]; int t; char hotkey = toupper(mnemonic[0]); // store hotkeys case-less (case does not matter when pressing the hotkey) TD_mnemonics[menu_deep][topics] = hotkey; for (t=0; tmenu_deep = 0; #ifdef DEBUG init_duplicate_mnemonic(); #endif #if defined(DUMP_MENU_LIST) dumpCloseAllSubMenus(); #endif // DUMP_MENU_LIST insert_sub_menu(name, mnemonic, helpText, Mask); } void AW_window::all_menus_created() { // this is called by AW_window::show() (i.e. after all menus have been created) #if defined(DEBUG) if (p_w->menu_deep>0) { // window had menu aw_assert(p_w->menu_deep == 1); // some unclosed sub-menus ? if (menu_deep_check == 1) { // otherwise the window is just re-shown (already has been checked!) exit_duplicate_mnemonic(); } } #endif // DEBUG } void AW_window::insert_sub_menu(AW_label name, const char *mnemonic, const char *helpText, AW_active Mask) { aw_assert(legal_mask(Mask)); AWUSE(helpText); Widget shell, Label; TuneBackground(p_w->menu_bar[p_w->menu_deep], TUNE_SUBMENU); // set background color for submenus // (Note: This must even be called if TUNE_SUBMENU is 0! // Otherwise several submenus get the TUNE_MENUTOPIC color) #if defined(DUMP_MENU_LIST) dumpOpenSubMenu(name); #endif // DUMP_MENU_LIST #ifdef DEBUG open_test_duplicate_mnemonics(p_w->menu_deep+1, name, mnemonic); #endif // create shell for Pull-Down shell = XtVaCreatePopupShell("menu_shell", xmMenuShellWidgetClass, p_w->menu_bar[p_w->menu_deep], XmNwidth, 1, XmNheight, 1, XmNallowShellResize, true, XmNoverrideRedirect, true, NULL); //create row column in Pull-Down shell p_w->menu_bar[p_w->menu_deep+1] = XtVaCreateWidget("menu_row_column", xmRowColumnWidgetClass, shell, XmNrowColumnType, XmMENU_PULLDOWN, XmNtearOffModel, XmTEAR_OFF_ENABLED, NULL); // create label in menu bar if (mnemonic && *mnemonic && strchr(name, mnemonic[0])) { // if mnemonic is "" -> Cannot convert string "" to type KeySym Label = XtVaCreateManagedWidget("menu1_top_b1", xmCascadeButtonWidgetClass, p_w->menu_bar[p_w->menu_deep], RES_CONVERT( XmNlabelString, name ), RES_CONVERT( XmNmnemonic, mnemonic ), XmNsubMenuId, p_w->menu_bar[p_w->menu_deep+1], XmNbackground, _at->background_color, NULL ); } else { Label = XtVaCreateManagedWidget( "menu1_top_b1", xmCascadeButtonWidgetClass, p_w->menu_bar[p_w->menu_deep], RES_CONVERT( XmNlabelString, name ), XmNsubMenuId, p_w->menu_bar[p_w->menu_deep+1], XmNbackground, _at->background_color, NULL); } if (p_w->menu_deep < AW_MAX_MENU_DEEP-1) p_w->menu_deep++; root->make_sensitive(Label, Mask); } void AW_window::close_sub_menu(void) { #ifdef DEBUG close_test_duplicate_mnemonics(p_w->menu_deep); #endif #if defined(DUMP_MENU_LIST) dumpCloseSubMenu(); #endif // DUMP_MENU_LIST if (p_w->menu_deep>0) p_w->menu_deep--; } void AW_window::insert_menu_topic(const char *topic_id, AW_label name, const char *mnemonic, const char *helpText, AW_active Mask, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2) { aw_assert(legal_mask(Mask)); Widget button; if (!topic_id) topic_id = name; // hmm, due to this we cannot insert_menu_topic w/o id. Change? @@@ TuneBackground(p_w->menu_bar[p_w->menu_deep], TUNE_MENUTOPIC); // set background color for normal menu topics #if defined(DUMP_MENU_LIST) dumpMenuEntry(name); #endif // DUMP_MENU_LIST #ifdef DEBUG test_duplicate_mnemonics(p_w->menu_deep, name, mnemonic); #endif if (mnemonic && *mnemonic && strchr(name, mnemonic[0])) { // create one sub-menu-point button = XtVaCreateManagedWidget("", xmPushButtonWidgetClass, p_w->menu_bar[p_w->menu_deep], RES_LABEL_CONVERT( name ), RES_CONVERT( XmNmnemonic, mnemonic ), XmNbackground, _at->background_color, NULL ); } else { button = XtVaCreateManagedWidget( "", xmPushButtonWidgetClass, p_w->menu_bar[p_w->menu_deep], RES_LABEL_CONVERT( name ), XmNbackground, _at->background_color, NULL); } AW_label_in_awar_list(this,button,name); AW_cb_struct *cbs = new AW_cb_struct(this, f, cd1, cd2, helpText); XtAddCallback(button, XmNactivateCallback, (XtCallbackProc) AW_server_callback, (XtPointer) cbs); cbs->id = strdup(topic_id); root->define_remote_command(cbs); root->make_sensitive(button, Mask); } void AW_window::insert_help_topic(AW_label name, const char *mnemonic, const char *helpText, AW_active Mask, void (*f)(AW_window*, AW_CL , AW_CL ), AW_CL cd1, AW_CL cd2) { aw_assert(legal_mask(Mask)); Widget button; // create one help-sub-menu-point button = XtVaCreateManagedWidget("", xmPushButtonWidgetClass, p_w->help_pull_down, RES_CONVERT( XmNlabelString, name ), RES_CONVERT( XmNmnemonic, mnemonic ), NULL ); XtAddCallback(button, XmNactivateCallback, (XtCallbackProc) AW_server_callback, (XtPointer) new AW_cb_struct(this, f, cd1, cd2, helpText)); root->make_sensitive(button, Mask); } void AW_window::insert_separator(void) { Widget separator; // create one help-sub-menu-point separator = XtVaCreateManagedWidget("", xmSeparatorWidgetClass, p_w->menu_bar[p_w->menu_deep], NULL); } void AW_window::insert_separator_help(void) { Widget separator; // create one help-sub-menu-point separator = XtVaCreateManagedWidget("", xmSeparatorWidgetClass, p_w->help_pull_down, NULL); } AW_area_management::AW_area_management(AW_root *awr, Widget formi, Widget widget) { memset((char *)this, 0, sizeof(AW_area_management)); form = formi; area = widget; XtAddEventHandler(area, EnterWindowMask, FALSE, AW_root_focusCB, (XtPointer)awr); } AW_device *AW_window::get_device(AW_area area) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return 0; if (!aram->device) aram->device = new AW_device_Xm(aram->common); aram->device->init(); return (AW_device *)(aram->device); } AW_device *AW_window::get_size_device(AW_area area) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return 0; if (!aram->size_device) aram->size_device = new AW_device_size(aram->common); aram->size_device->init(); aram->size_device->reset(); return (AW_device *)(aram->size_device); } AW_device *AW_window::get_print_device(AW_area area) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return 0; if (!aram->print_device) aram->print_device = new AW_device_print(aram->common); aram->print_device->init(); return (AW_device *)(aram->print_device); } AW_device *AW_window::get_click_device(AW_area area, int mousex, int mousey, AW_pos max_distance_linei, AW_pos max_distance_texti, AW_pos radi) { AW_area_management *aram= MAP_ARAM(area); if (!aram) return 0; if (!aram->click_device) aram->click_device = new AW_device_click(aram->common); aram->click_device->init(mousex, mousey, max_distance_linei, max_distance_texti, radi, (AW_bitset)-1); return (AW_device *)(aram->click_device); } void AW_window::wm_activate() { { Boolean iconic = False; XtVaGetValues(p_w->shell, XmNiconic, &iconic, NULL) ; if (iconic == True) { XtVaSetValues(p_w->shell, XmNiconic, False, NULL) ; XtMapWidget(p_w->shell) ; XRaiseWindow(XtDisplay(p_w->shell), XtWindow(p_w->shell)) ; } } { Display *xdpy = XtDisplay(p_w->shell); Window window = XtWindow(p_w->shell); Atom netactivewindow = XInternAtom(xdpy, "_NET_ACTIVE_WINDOW", False); if (netactivewindow) { XClientMessageEvent ce; ce.type = ClientMessage; ce.display = xdpy; ce.window = window; ce.message_type = netactivewindow; ce.format = 32; ce.data.l[0] = 2; ce.data.l[1] = None; ce.data.l[2] = Above; ce.data.l[3] = 0; ce.data.l[4] = 0; #if defined(DEBUG) Status ret = #endif // DEBUG XSendEvent(xdpy, XDefaultRootWindow(xdpy), False, SubstructureRedirectMask | SubstructureNotifyMask, (XEvent *) &ce); #if defined(DEBUG) if (!ret) { fprintf(stderr, "Failed to send _NET_ACTIVE_WINDOW to WM (XSendEvent returns %i)\n", ret); } #endif // DEBUG XSync(xdpy, False); } #if defined(DEBUG) else { fputs("No such atom '_NET_ACTIVE_WINDOW'\n", stderr); } #endif // DEBUG } } void AW_window::show(void) { if (!window_is_shown) { all_menus_created(); get_root()->window_show(); window_is_shown = true; } if (recalc_size_at_show) { if (recalc_size_at_show == 1) { window_fit(); } else { aw_assert(recalc_size_at_show == 2); // check whether user size is too small and increase to minimum (aka default) int default_width, default_height; get_window_size(default_width, default_height); AW_root *tmp_root = get_root(); int user_width = tmp_root->awar(aw_awar_name_width(this))->read_int(); int user_height = tmp_root->awar(aw_awar_name_height(this))->read_int(); #if defined(DEBUG) // printf("default size = %i/%i user size = %i/%i\n", default_width, default_height, user_width, user_height); #endif // DEBUG if (user_widthshell, XtGrabNone); if (p_w->WM_top_offset == -1000) { // very bad hack set_expose_callback(AW_INFO_AREA, (AW_CB)aw_calculate_WM_offsets, 0, 0); } } void AW_window::show_grabbed(void) { if (!window_is_shown) { get_root()->window_show(); window_is_shown = true; } XtPopup(p_w->shell, XtGrabExclusive); if (p_w->WM_top_offset == -1000) { // very bad hack set_expose_callback(AW_INFO_AREA, (AW_CB)aw_calculate_WM_offsets, 0, 0); } } void AW_window::hide(void) { if (window_is_shown) { get_root()->window_hide(); window_is_shown = false; } XtPopdown(p_w->shell); } bool AW_window::is_shown(void) { // return true if window is shown ( = not invisible and already created) // Note: does return TRUE!, if window is only minimized by WM return window_is_shown; } void AW_root::window_show() { active_windows++; } void AW_root::window_hide() { active_windows--; if (active_windows<0) { exit(0); } } void AW_root::main_loop(void) { XtAppMainLoop(p_r->context); } void AW_root::process_events(void) { XtAppProcessEvent(p_r->context,XtIMAll); } void AW_root::process_pending_events(void) { XtInputMask pending = XtAppPending(p_r->context); while (pending) { XtAppProcessEvent(p_r->context, pending); pending = XtAppPending(p_r->context); } } /** Returns type if key event follows, else 0 */ AW_ProcessEventType AW_root::peek_key_event(AW_window */*aww*/) { XEvent xevent; Boolean result = XtAppPeekEvent(p_r->context,&xevent); #if defined(DEBUG) && 0 printf("peek_key_event\n"); #endif // DEBUG if (!result) return NO_EVENT; if ( (xevent.type != KeyPress) && (xevent.type != KeyRelease)) return NO_EVENT; //XKeyEvent *kev = &xevent.xkey; return (AW_ProcessEventType)xevent.type; } static void timed_window_title_cb(class AW_root* aw_root, AW_CL cd1, AW_CL cd2) { AWUSE(aw_root); char *title = (char *)cd1; AW_window *aw = (AW_window *)cd2; aw->number_of_timed_title_changes--; if ( !aw->number_of_timed_title_changes) { aw->set_window_title_intern(title); } delete title; } void AW_window::message(char *title, int ms) { char *old_title= NULL; number_of_timed_title_changes++; old_title = strdup(window_name); XtVaSetValues(p_w->shell, XmNtitle, title, NULL); get_root()->add_timed_callback(ms, timed_window_title_cb, (AW_CL)old_title, (AW_CL)this ); } void AW_window::set_window_title_intern(char *title) { XtVaSetValues(p_w->shell, XmNtitle, title, NULL); } void AW_window::set_window_title(const char *title) { XtVaSetValues(p_w->shell, XmNtitle, title, NULL); freedup(window_name, title); } const char *AW_window::get_window_title(void) { char *title; XtVaGetValues(p_w->shell, XmNtitle, &title, NULL); return title; } const char *AW_window::local_id(const char *id) const { static char *last_local_id = 0; freeset(last_local_id, GBS_global_string_copy("%s/%s", get_window_id(), id)); return last_local_id; } /***************************************************************************************************************************/ /***************************************************************************************************************************/ /***************************************************************************************************************************/ static void AW_xfigCB_info_area(AW_window *aww, AW_xfig *xfig) { AW_device *device = aww->get_device(AW_INFO_AREA); device->reset(); if (aww->get_root()->color_mode == 0) { // mono colr device->clear(-1); } device->set_offset(AW::Vector(-xfig->minx, -xfig->miny)); xfig->print(device); } void AW_window::load_xfig(const char *file, bool resize) { AW_xfig *xfig; if (file) xfig = new AW_xfig(file, get_root()->font_width, get_root()->font_height); else xfig = new AW_xfig( get_root()->font_width, get_root()->font_height); // create an empty xfig xfig_data = (void*)xfig; set_expose_callback(AW_INFO_AREA, (AW_CB)AW_xfigCB_info_area, (AW_CL)xfig_data, 0); xfig->create_gcs(get_device(AW_INFO_AREA), get_root()->color_mode ? 8 : 1); int xsize = xfig->maxx - xfig->minx; int ysize = xfig->maxy - xfig->miny; if (xsize>_at->max_x_size) _at->max_x_size = xsize; if (ysize>_at->max_y_size) _at->max_y_size = ysize; if (resize) { if (recalc_size_at_show == 0) recalc_size_at_show = 1; set_window_size(_at->max_x_size+1000, _at->max_y_size+1000); align(); } } void AW_window::draw_line(int x1, int y1, int x2, int y2, int width, bool resize) { AW_xfig *xfig = (AW_xfig*)xfig_data; aw_assert(xfig); // forgot to call load_xfig ? xfig->add_line(x1, y1, x2, y2, width); class x { public: static inline int max(int i1, int i2) { return i1>i2 ? i1 : i2; } }; _at->max_x_size = x::max(_at->max_x_size, xfig->maxx - xfig->minx); _at->max_y_size = x::max(_at->max_y_size, xfig->maxy - xfig->miny); if (resize) { if (recalc_size_at_show == 0) recalc_size_at_show = 1; set_window_size(_at->max_x_size+1000, _at->max_y_size+1000); } } void AW_window::_set_activate_callback(void *widget) { if (_callback && (long)_callback != 1) { if (!_callback->help_text && _at->helptext_for_next_button) { _callback->help_text = _at->helptext_for_next_button; _at->helptext_for_next_button = 0; } XtAddCallback((Widget) widget, XmNactivateCallback, (XtCallbackProc) AW_server_callback, (XtPointer) _callback ); } _callback = NULL; } /***********************************************************************/ /***************** AW_MACRO_MESSAGE *******************/ /***********************************************************************/ #define AW_MESSAGE_AWAR "tmp/message/macro" static void macro_message_cb(AW_window *aw, AW_CL) { AW_root *root = aw->get_root(); aw->hide(); if (root->prvt->recording_macro_file) { char *s = root->awar(AW_MESSAGE_AWAR)->read_string(); fprintf(root->prvt->recording_macro_file, "MESSAGE\t"); GBS_fwrite_string(s, root->prvt->recording_macro_file); fprintf(root->prvt->recording_macro_file, "\n"); delete s; } if (root->prvt->executing_macro_file) { //root->enable_execute_macro(); @@@@ } return; } static void aw_clear_macro_message_cb(AW_window *aww) { aww->get_root()->awar(AW_MESSAGE_AWAR)->write_string(""); } void aw_macro_message(const char *templat, ...) // @@@ this function is unused. { AW_root *root = AW_root::THIS; char buffer[10000]; { va_list parg; va_start(parg,templat); vsprintf(buffer, templat, parg); } static AW_window_message *aw_msg = 0; root->awar_string(AW_MESSAGE_AWAR)->write_string(buffer); if (!aw_msg) { aw_msg = new AW_window_message; aw_msg->init(root, "MESSAGE", false); aw_msg->load_xfig("macro_message.fig"); aw_msg->at("clear"); aw_msg->callback(aw_clear_macro_message_cb); aw_msg->create_button("OK", "OK", "O"); aw_msg->at("Message"); aw_msg->create_text_field(AW_MESSAGE_AWAR); aw_msg->at("hide"); aw_msg->callback(macro_message_cb, 0); aw_msg->create_button("OK", "OK", "O"); } aw_msg->show(); if (root->prvt->executing_macro_file) { root->stop_execute_macro(); } } GB_ERROR AW_root::start_macro_recording(const char *file, const char *application_id, const char *stop_action_name) { if (prvt->recording_macro_file) { return GB_export_error("Already Recording Macro"); } char *path = 0; if (file[0] == '/') { path = strdup(file); } else { path = GBS_global_string_copy("%s/%s", GB_getenvARBMACROHOME(), file); } char *macro_header = GB_read_file("$(ARBHOME)/lib/macro.head"); if (!macro_header) { return GB_export_errorf("Cannot open file '%s'", "$(ARBHOME)/lib/macro.head"); } prvt->recording_macro_file = fopen(path, "w"); prvt->recording_macro_path = path; if (!prvt->recording_macro_file) { delete macro_header; return GB_export_errorf("Cannot open file '%s' for writing", file); } prvt->stop_action_name = strdup(stop_action_name); prvt->application_name_for_macros = strdup(application_id); fprintf(prvt->recording_macro_file, "%s", macro_header); free(macro_header); return 0; } GB_ERROR AW_root::stop_macro_recording() { if (!prvt->recording_macro_file) { return GB_export_error("Not recording macro"); } fprintf(prvt->recording_macro_file, "ARB::close($gb_main);"); fclose(prvt->recording_macro_file); long mode = GB_mode_of_file(prvt->recording_macro_path); GB_set_mode_of_file(prvt->recording_macro_path, mode | ((mode >> 2)& 0111)); prvt->recording_macro_file = 0; freeset(prvt->recording_macro_path, 0); freeset(prvt->stop_action_name, 0); freeset(prvt->application_name_for_macros, 0); return 0; } GB_ERROR AW_root::execute_macro(const char *file) { char *path = 0; if (file[0] == '/') { path = strdup(file); } else { path = GBS_global_string_copy("%s/%s", GB_getenvARBMACROHOME(), file); } const char *com = GBS_global_string("perl %s &", path); printf("[Action '%s']\n", com); if (system(com)) { aw_message(GBS_global_string("Calling '%s' failed", com)); } free(path); return 0; } void AW_root::stop_execute_macro() { } void AW_root::define_remote_command(AW_cb_struct *cbs) { if (cbs->f == (AW_CB)AW_POPDOWN) { aw_assert(!cbs->get_cd1() && !cbs->get_cd2()); // popdown takes no parameters (please pass ", 0, 0"!) } AW_cb_struct *old_cbs = (AW_cb_struct*)GBS_write_hash(prvt->action_hash, cbs->id, (long)cbs); if (old_cbs) { if (!old_cbs->is_equal(*cbs)) { // existing remote command replaced by different callback #if defined(DEBUG) fputs(GBS_global_string("Warning: reused callback id '%s' for different callback\n", old_cbs->id), stderr); #if defined(DEVEL_RALF) gb_assert(0); #endif // DEVEL_RALF #endif // DEBUG } // do not free old_cbs, cause it's still reachable from first widget that defined this remote command } } #if defined(DEBUG) #if defined(DEVEL_RALF) #define DUMP_REMOTE_ACTIONS #endif // DEVEL_RALF #endif // DEBUG GB_ERROR AW_root::check_for_remote_command(AW_default gb_maind, const char *rm_base) { GBDATA *gb_main = (GBDATA *)gb_maind; char *awar_action = GBS_global_string_copy("%s/action", rm_base); char *awar_value = GBS_global_string_copy("%s/value", rm_base); char *awar_awar = GBS_global_string_copy("%s/awar", rm_base); char *awar_result = GBS_global_string_copy("%s/result", rm_base); GB_push_transaction(gb_main); char *action = GBT_readOrCreate_string(gb_main, awar_action, ""); char *value = GBT_readOrCreate_string(gb_main, awar_value, ""); char *tmp_awar = GBT_readOrCreate_string(gb_main, awar_awar, ""); if (tmp_awar[0]) { GB_ERROR error = 0; if (strcmp(action, "AWAR_REMOTE_READ") == 0) { char *read_value = this->awar(tmp_awar)->read_as_string(); GBT_write_string(gb_main, awar_value, read_value); #if defined(DUMP_REMOTE_ACTIONS) printf("remote command 'AWAR_REMOTE_READ' awar='%s' value='%s'\n", tmp_awar, read_value); #endif // DUMP_REMOTE_ACTIONS free(read_value); // clear action (AWAR_REMOTE_READ is just a pseudo-action) : action[0] = 0; GBT_write_string(gb_main, awar_action, ""); } else if (strcmp(action, "AWAR_REMOTE_TOUCH") == 0) { this->awar(tmp_awar)->touch(); #if defined(DUMP_REMOTE_ACTIONS) printf("remote command 'AWAR_REMOTE_TOUCH' awar='%s'\n", tmp_awar); #endif // DUMP_REMOTE_ACTIONS // clear action (AWAR_REMOTE_TOUCH is just a pseudo-action) : action[0] = 0; GBT_write_string(gb_main, awar_action, ""); } else { #if defined(DUMP_REMOTE_ACTIONS) printf("remote command (write awar) awar='%s' value='%s'\n", tmp_awar, value); #endif // DUMP_REMOTE_ACTIONS error = this->awar(tmp_awar)->write_as_string(value); } GBT_write_string(gb_main, awar_result, error ? error : ""); GBT_write_string(gb_main, awar_awar, ""); // this works as READY-signal for perl-client (BIO::remote_awar and BIO:remote_read_awar) } GB_pop_transaction(gb_main); if (action[0]) { AW_cb_struct *cbs = (AW_cb_struct *)GBS_read_hash(prvt->action_hash, action); #if defined(DUMP_REMOTE_ACTIONS) printf("remote command (%s) exists=%i\n", action, int(cbs != 0)); #endif // DUMP_REMOTE_ACTIONS if (cbs) { cbs->run_callback(); GBT_write_string(gb_main, awar_result, ""); } else { aw_message(GB_export_errorf("Unknown action '%s' in macro", action)); GBT_write_string(gb_main, awar_result, GB_await_error()); } GBT_write_string(gb_main, awar_action, ""); // this works as READY-signal for perl-client (remote_action) } free(tmp_awar); free(value); free(action); free(awar_result); free(awar_awar); free(awar_value); free(awar_action); return 0; } void AW_window::set_background(const char *colorname, Widget parentWidget) { bool colorSet = false; if (colorname) { XColor unused, color; if (XAllocNamedColor(p_global->display, p_global->colormap, colorname, &color, &unused) == 0) { fprintf(stderr,"XAllocColor failed: %s\n", colorname); } else { _at->background_color = color.pixel; colorSet = true; } } if (!colorSet) { XtVaGetValues(parentWidget, XmNbackground, &(_at->background_color), NULL); // fallback to background color } } void AW_window::TuneOrSetBackground(Widget w, const char *color, int modStrength) { // Sets the background for the next created widget. // // If 'color' is specified, it may contain one of the following values: // "+" means: slightly increase color of parent widget 'w' // "-" means: slightly decrease color of parent widget 'w' // otherwise it contains a specific color ('name' or '#RGB') // // If color is not specified, the color of the parent widget 'w' is modified // by 'modStrength' (increased if positive, decreased if negative) // // If it's not possible to modify the color (e.g. we cannot increase 'white'), // the color will be modified in the opposite direction. For details see TuneBackground() if (color) { switch (color[0]) { case '+': TuneBackground(w, TUNE_BRIGHT); break; case '-': TuneBackground(w, TUNE_DARK); break; default: set_background(color, w); // use explicit color } } else { TuneBackground(w, modStrength); } } void AW_window::TuneBackground(Widget w, int modStrength) { // Gets the Background Color, modifies the rgb values slightly and sets new background color // Intended to give buttons a nicer 3D-look. // // possible values for modStrength: // // 0 = do not modify (i.e. set to background color of parent widget) // 1 .. 127 = increase if background is bright, decrease if background is dark // -1 ..-127 = opposite behavior than above // 256 .. 383 = always increase // -256 ..-383 = always decrease // // if it's impossible to decrease or increase -> opposite direction is used. int col[3]; { Pixel bg; XtVaGetValues(w, XmNbackground, &bg, NULL); XColor xc; xc.pixel = bg; XQueryColor(XtDisplay(w), p_global->colormap, &xc); col[0] = xc.red >> 8; // take MSB col[1] = xc.green >> 8; col[2] = xc.blue >> 8; } int mod = modStrength; int preferredDir = 0; bool invertedMod = false; if (modStrength>0) { if (modStrength>255) { mod -= 256; preferredDir = 1; // increase preferred } } else { if (modStrength<-255) { mod = -modStrength-256; preferredDir = -1; // decrease preferred } else { invertedMod = true; mod = -mod; } } aw_assert(mod >= 0 && mod < 128); // illegal modification bool incPossible[3]; // increment possible for color bool decPossible[3]; // decrement possible for color int incs = 0; // count possible increments int decs = 0; // count possible decrements for (int i = 0; i<3; ++i) { if ((incPossible[i] = ((col[i]+mod) <= 255))) incs++; if ((decPossible[i] = ((col[i]-mod) >= 0))) decs++; } aw_assert(incs||decs); switch (preferredDir) { case 0: // no direction preferred yet, need to decide if (invertedMod) preferredDir = decs ? -1 : 1; else preferredDir = incs ? 1 : -1; break; case 1: if (!incs) preferredDir = -1; break; case -1: if (!decs) preferredDir = 1; break; } aw_assert(preferredDir == 1 || preferredDir == -1); // no direction chosen above if (preferredDir == 1) { for (int i=0; i<3; ++i) col[i] += (incPossible[i] ? mod : 0); } else if (preferredDir == -1) { for (int i=0; i<3; ++i) col[i] -= (decPossible[i] ? mod : 0); } char hex_color[50]; sprintf(hex_color, "#%2.2X%2.2X%2.2X", col[0], col[1], col[2]); aw_assert(strlen(hex_color) == 7); // otherwise some value overflowed set_background(hex_color, w); } ./arbsrc_9167/WINDOW/aw_window.hxx0000644012664100000130000006406411440743000016700 0ustar arb_buildcoders#ifndef AW_WINDOW_HXX #define AW_WINDOW_HXX #ifndef AW_ROOT_HXX #include #endif #ifndef AW_DEVICE_HXX #include #endif #ifndef AW_KEYSYM_HXX #include #endif class AW_window; typedef struct _WidgetRec *Widget; typedef void (*AW_CB)(AW_window*,AW_CL,AW_CL); typedef void (*AW_CB0)(AW_window*); typedef void (*AW_CB1)(AW_window*,AW_CL); typedef void (*AW_CB2)(AW_window*,AW_CL,AW_CL); typedef AW_window *(*AW_Window_Creator)(AW_root*,AW_CL); //-------------------------------------------------------------------------------- #define AW_POPUP ((AW_CB)(-1)) // AW_POPDOWN is defined later in this section #define AW_MESSAGE_TIME 2000 #define AW_HEADER_MAIN extern "C" { int XtAppInitialize(); } void aw_never_called_main(void) { XtAppInitialize(); } //======= Used in Tune background function ================================= #define TUNE_BUTTON 8 #define TUNE_INPUT (-TUNE_BUTTON) #define TUNE_SUBMENU 0 #define TUNE_MENUTOPIC (-12) #define TUNE_BRIGHT (256+30) #define TUNE_DARK (-TUNE_BRIGHT) // ========================================================================== #ifndef AW_AT_HXX class AW_at; #endif class AW_at_size { int to_offset_x; // here we use offsets (not positions like in AW_at) int to_offset_y; bool to_position_exists; bool attach_x; // attach right side to right form bool attach_y; bool attach_lx; // attach left side to right form bool attach_ly; bool attach_any; public: void store(const AW_at *at); void restore(AW_at *at) const; }; class AW_at_maxsize { int maxx; int maxy; public: void store(const AW_at *at); void restore(AW_at *at) const; }; typedef enum { AW_Keyboard_Press = 1, AW_Keyboard_Release = 2, AW_Mouse_Press = 3, AW_Mouse_Release = 4, AW_Mouse_Drag = 5 } AW_event_type; typedef const char *AW_label; // label for buttons menues etc // "fsdf" simple label // no '/' symbol !!! // "awarname/asdf" // awar name (any '/' in string) // "#file.bitmap" // bitmap in $ARBHOME/lib/pixmaps/file.bitmap struct AW_event { AW_event_type type; /* AW_Keyboard or AW_Mouse */ unsigned long time; /* time in msec, when event occured */ //***** button fields unsigned int button; /* which mouse button was pressed 1,2,3 */ int x,y; /* pointer x,y coordinates in the event window */ //****** key fields AW_key_mod keymodifier; /* control alt meta .... */ AW_key_code keycode; /* which key type was pressed */ char character; /* the c character */ }; void AW_POPDOWN(AW_window *); void AW_POPUP_HELP(AW_window *,AW_CL /*char */ helpfile); void AW_help_entry_pressed(AW_window *); void AW_clock_cursor(AW_root *); void AW_normal_cursor(AW_root *); /*************************************************************************/ class AW_cb_struct { AW_CL cd1; AW_CL cd2; AW_cb_struct *next; public: // ************ This is not the public section ************* AW_window *pop_up_window; AW_CB f; AW_window *aw; const char *help_text; char *id; // ************ The real public section ************* AW_cb_struct(AW_window *awi, AW_CB g, AW_CL cd1i = 0, AW_CL cd2i = 0, const char *help_texti = 0, AW_cb_struct *next = 0); void run_callback(void); // runs the whole list bool contains(AW_CB g); // test if contained in list bool is_equal(const AW_cb_struct& other) const; #if defined(DEBUG) AW_CL get_cd1() const { return cd1; } AW_CL get_cd2() const { return cd2; } #endif // DEBUG }; enum { AWM_DISABLED = 0, // disabled items (used for dynamically dis-/enabled items) AWM_BASIC = 1, AWM_EXP = 2, AWM_ALL = AWM_BASIC|AWM_EXP }; enum { AWM_MASK_UNKNOWN = AWM_DISABLED, AWM_MASK_DEFAULT = AWM_BASIC, AWM_MASK_EXPERT = AWM_ALL }; typedef char *AW_pixmap; class AW_window_Motif; struct AW_select_table_struct; class AW_selection_list { AW_select_table_struct *loop_pntr; public: AW_selection_list( const char *variable_namei, int variable_typei, Widget select_list_widgeti ); char *variable_name; AW_VARIABLE_TYPE variable_type; Widget select_list_widget; bool value_equal_display; // set true to fix load/save of some selection lists AW_select_table_struct *list_table; AW_select_table_struct *last_of_list_table; AW_select_table_struct *default_select; AW_selection_list *next; // ******************** real public *************** void selectAll(); void deselectAll(); const char *first_selected(); const char *first_element(); const char *next_element(); }; struct AW_option_menu_struct; struct aw_toggle_data; class AW_window { private: void all_menus_created(); void create_toggle(const char *var_name, aw_toggle_data *tdata); protected: AW_root *root; void check_at_pos( void ); void create_devices(void); void set_background(const char *colorname, Widget w); void wm_activate(); // un-minimize window and give it the focus (use show_and_activate()) public: // ************ This is not the public section ************* AW_window_Motif *p_w; // Do not use !!! AW_at *_at; AW_cb_struct *_callback; AW_cb_struct *_d_callback; AW_window(); virtual ~AW_window(); AW_event event; unsigned long click_time; long color_table_size; unsigned long *color_table; int recalc_size_at_show; // 0 = do not resize // 1 = do resize to default size // 2 = do resize to user size (or default size if that is bigger) int number_of_timed_title_changes; void /*AW_xfig*/ *xfig_data; void create_window_variables( void ); void show_grabbed(void); void set_window_title_intern( char *title ); int calculate_string_width( int columns ); int calculate_string_height( int columns, int offset ); char *align_string( const char *string, int columns ); void update_label( int *widget, const char *var_value ); void update_toggle( int *widget, const char *var_value, AW_CL cd ); void update_input_field( int *widget, const char *var_value ); void update_text_field( int *widget, const char *var_value ); void create_invisible( int columns ); // void update_option_menu( int option_menu_number ); void *_create_option_entry(AW_VARIABLE_TYPE type, const char *name, const char *mnemonic,const char *name_of_color ); void update_toggle_field( int toggle_field_number ); void update_selection_list_intern( AW_selection_list *selection_list ); void _set_activate_callback(void *widget); void unset_at_commands( void ); void increment_at_commands( int width, int height ); AW_color alloc_named_data_color(int colnum, char *colorname); const char *GC_to_RGB(AW_device *device, int gc, int& red, int& green, int& blue); // returns colors in result-parameters or error message in return value // Converts GC to RGB float values to the range (0 - 1.0) const char *GC_to_RGB_float(AW_device *device, int gc, float& red, float& green, float& blue); void _get_area_size(AW_area area, AW_rectangle *square); int label_widget(void *wgt, AW_label str, char *mnemonic=0, int width =0, int alignment =0); // ------------------------------ // The read only section // ------------------------------ char *window_name; // window title char *window_defaults_name; bool window_is_shown; int left_indent_of_horizontal_scrollbar; int top_indent_of_vertical_scrollbar; int bottom_indent_of_vertical_scrollbar; int slider_pos_vertical; int slider_pos_horizontal; int main_drag_gc; AW_rectangle *picture; // the result of tell scrolled // picture size // -------------------------------- // The real public section // -------------------------------- AW_root *get_root(void) { return root; } //******************* Global layout functions ********************** void show(); // show newly created window or unhide hidden window (aka closed window) void hide(); // hide (dont destroy) a window (<->show) void activate() { show(); wm_activate(); } // make_visible, pop window to front and give it the focus bool is_shown(); // is window visible (== true) or hidden (== false). ? void hide_or_notify(const char *error) { if (error) aw_message(error); else hide(); } void message( char *title, int ms ); // Set for ms milliseconds the title of the window void set_window_title( const char *title ); // Set the window title forever const char *get_window_title( void ); // Get the window's title const char *get_window_id() const { return window_defaults_name; } // Get the window's internal name const char *local_id(const char *id) const; void set_info_area_height(int height); void set_bottom_area_height(int height); //******************* Input and Motion Events ********************** void set_popup_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_focus_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_expose_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1=0, AW_CL cd2=0); void set_resize_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1=0, AW_CL cd2=0); void set_input_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1=0, AW_CL cd2=0); void set_motion_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1=0, AW_CL cd2=0); void set_double_click_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1=0, AW_CL cd2=0); bool is_expose_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_resize_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_input_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_motion_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_double_click_callback(AW_area area, void (*f)(AW_window*,AW_CL,AW_CL)); void get_event(AW_event *eventi); // In an event callback get the events info void force_expose(); // forces the window to expose instantly //******************* Get the devices ********************** AW_device *get_device (AW_area area); AW_device *get_click_device(AW_area area, int mousex,int mousey, AW_pos max_distance_linei, AW_pos max_distance_texti, AW_pos radi); AW_device *get_size_device (AW_area area); AW_device *get_print_device (AW_area area); // ************** Create the menu buttons ********* void create_menu(AW_label name, const char *mnemonic, const char *help_text = 0, AW_active mask = AWM_ALL); void insert_sub_menu(AW_label name, const char *mnemonic, const char *help_text = 0, AW_active mask = AWM_ALL); void insert_menu_topic(const char *id, AW_label name, const char *mnemonic, const char *help_text, AW_active mask, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void close_sub_menu(void); void insert_separator(void); void insert_help_topic(AW_label name, const char *mnemonic, const char *help_text, AW_active mask, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void insert_separator_help(void); // ************** Create modes on the left side ****************** int create_mode(const char *pixmap, const char *help_text, AW_active mask, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void select_mode(int mode); // ************** Control the size of the main drawing area + scrollbars ********* void tell_scrolled_picture_size(AW_rectangle rectangle); void tell_scrolled_picture_size(AW_world rectangle); AW_pos get_scrolled_picture_width(); AW_pos get_scrolled_picture_height(); void reset_scrolled_picture_size(); void calculate_scrollbars(void); void set_vertical_scrollbar_position(int position); void set_horizontal_scrollbar_position(int position); void set_vertical_change_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_horizontal_change_callback(void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_horizontal_scrollbar_left_indent(int indent); void set_vertical_scrollbar_top_indent(int indent); void set_vertical_scrollbar_bottom_indent(int indent); // ************** Control window size ********* void set_window_size( int width, int height ); void get_window_size( int& width, int& height ); void window_fit(void); // Recalculate the size of a window with buttons void align(void); // Position dialog in the center the screen // ************** ******************************************************************** ********* // ************** Create buttons: First set modify flags and finally create the button ********* // ************** ******************************************************************** ********* // *** global modifier: **** void load_xfig(const char *file, bool resize=true); // Loads the background graphic void draw_line(int x1, int y1, int x2, int y2, int width, bool resize); // draws a line on the background void label_length( int length ); // Justifies all following labels void button_length( int length ); // Sets the width of all following buttons (in chars) void button_height( int height ); // Sets the height of all following buttons (in lines) int get_button_length() const; // returns the current width of buttons int get_button_height() const; // returns the current height of buttons void highlight( void ); // Creates a frame around the button void auto_increment( int dx, int dy ); // enable automatic placement of buttons // dx is the horizontal distance between the left // borders of two buttons void auto_space( int xspace, int yspace ); // enable automatic placement of buttons // xspace is the horizontal space between 2 buttons void auto_off( void ); // disable auto_xxxxx void shadow_width (int shadow_thickness); // set the shadow_thickness of buttons void TuneBackground(Widget w,int modStrength); void TuneOrSetBackground(Widget w, const char *color, int modStrength); // *** local modifiers: ******** void at( int x, int y ); // abs pos of a button (>10,10) void at_x( int x ); // abs x pos void at_y( int y ); // abs y pos void at_shift( int x, int y ); // rel pos of a button void at_newline( void ); // in auto_space mode only: newline void at( const char *id ); /* place the button at the position set in the .fig * file (loaded with load_xfig) by the string $id */ bool at_ifdef(const char *id); // check whether 'id' is an element if the .fig file void label( const char *label ); // Create a label before the button void get_at_position(int *x, int *y); int get_at_xposition(); int get_at_yposition(); void dump_at_position(const char *debug_label) const; // for debugging (uses printf) void at_attach(bool attach_x, bool attach_y); // attach to X, Y or both void at_set_to(bool attach_x, bool attach_y, int xoff, int yoff); // set "to:XY:id" manually void at_unset_to(); // unset "to:id" manually void at_set_min_size(int xmin, int ymin); // define minimum window size void store_at_size_and_attach( AW_at_size *at_size ); // get size of at-element void restore_at_size_and_attach( const AW_at_size *at_size ); // set size of a at-element void sens_mask( AW_active mask ); // Set the sensitivity mask used for following widgets (Note: reset by next at()-command) void help_text(const char *id ); // Set the help text of a button void callback( void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ); // normal callbacks void callback( void (*f)(AW_window*,AW_CL), AW_CL cd1); void callback( void (*f)(AW_window*)); void callback( AW_cb_struct * /*owner*/awcbs); // Calls f with // aww in awcbs void d_callback( void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2 ); // double click callbacks void d_callback( void (*f)(AW_window*,AW_CL), AW_CL cd1); // selection lists only !! void d_callback( void (*f)(AW_window*)); void d_callback( AW_cb_struct * /*owner*/awcbs); // Calls f with // *** create the buttons ******** // void create_button( const char *macro_name, AW_label label,const char *mnemonic = 0); // simple button; shadow only when callback void create_button( const char *macro_name, AW_label label,const char *mnemonic = 0, const char *color = 0); // simple button; shadow only when callback void create_autosize_button( const char *macro_name, AW_label label,const char *mnemonic = 0, unsigned xtraSpace = 1); // as above, but ignores button_length Widget get_last_widget() const; void create_toggle( const char *awar_name); // int 0/1 string yes/no float undef void create_inverse_toggle( const char *awar_name); // like create_toggle, but displays inverted toggle value void create_toggle( const char *awar_name, const char *nobitmap,const char *yesbitmap, int buttonWidth = 0); void create_text_toggle(const char *var_name, const char *noText, const char *yesText, int buttonWidth = 0); void create_input_field( const char *awar_name, int columns = 0 ); // One line textfield void create_text_field( const char *awar_name, int columns = 20, int rows = 4 ); // Multi line textfield // with scrollbars // ***** option_menu is a menu where only one selection is visible at a time AW_option_menu_struct *create_option_menu( const char *awar_name, AW_label label=0,const char *mnemonic=0 ); void clear_option_menu( AW_option_menu_struct *oms); // used to redefine available options private: void insert_option_internal( AW_label choice_label, const char *mnemonic,const char *var_value, const char *name_of_color, bool default_option); void insert_option_internal( AW_label choice_label, const char *mnemonic,int var_value, const char *name_of_color, bool default_option); void insert_option_internal( AW_label choice_label, const char *mnemonic,float var_value, const char *name_of_color, bool default_option); void insert_toggle_internal( AW_label toggle_label, const char *mnemonic, const char *var_value, bool default_toggle); void insert_toggle_internal( AW_label toggle_label, const char *mnemonic, int var_value, bool default_toggle); void insert_toggle_internal( AW_label toggle_label, const char *mnemonic, float var_value, bool default_toggle); public: // for string void insert_option ( AW_label choice_label, const char *mnemonic, const char *var_value, const char *name_of_color = 0); // for string void insert_default_option ( AW_label choice_label, const char *mnemonic, const char *var_value, const char *name_of_color = 0 ); // for int void insert_option ( AW_label choice_label, const char *mnemonic, int var_value, const char *name_of_color = 0 ); // for int void insert_default_option ( AW_label choice_label, const char *mnemonic, int var_value, const char *name_of_color = 0 ); // for float void insert_option ( AW_label choice_label, const char *mnemonic, float var_value, const char *name_of_color = 0 ); // for float void insert_default_option ( AW_label choice_label, const char *mnemonic, float var_value, const char *name_of_color = 0 ); void update_option_menu( void ); void update_option_menu( AW_option_menu_struct *); // dont use this // ***** toggle_field is a static menu (all items are visible and only one is selected) void create_toggle_field( const char *awar_name, AW_label label, const char *mnemonic ); void create_toggle_field( const char *awar_name, int orientation = 0 );// 1 = horizontal // for string void insert_toggle( AW_label toggle_label, const char *mnemonic, const char *var_value ); void insert_default_toggle( AW_label toggle_label, const char *mnemonic, const char *var_value ); // for int void insert_toggle( AW_label toggle_label, const char *mnemonic, int var_value ); void insert_default_toggle( AW_label toggle_label, const char *mnemonic, int var_value ); // for float void insert_toggle( AW_label toggle_label, const char *mnemonic, float var_value ); void insert_default_toggle( AW_label toggle_label, const char *mnemonic, float var_value ); void update_toggle_field( void ); // ***** selection list is a redefinable scrolled list of items AW_selection_list *create_selection_list( const char *awar_name, const char *label = 0, const char *mnemonic = 0, int columns = 4, int rows = 4 ); // to make a copy of the selection list AW_selection_list *copySelectionList(AW_selection_list *sourceList, AW_selection_list *destinationList); // for string void insert_selection( AW_selection_list *selection_list, const char *displayed, const char *value ); void insert_default_selection( AW_selection_list * selection_list, const char *displayed, const char *value ); // for int void insert_selection( AW_selection_list * selection_list, const char *displayed, long value ); void insert_default_selection( AW_selection_list * selection_list, const char *displayed, long value ); // for float void insert_selection( AW_selection_list * selection_list, const char *displayed, float value ); void insert_default_selection( AW_selection_list * selection_list, const char *displayed, float value ); // for pointers (only allowed if selection list uses a tmp-awars) void insert_selection( AW_selection_list * selection_list, const char *displayed, void *pointer ); void insert_default_selection( AW_selection_list * selection_list, const char *displayed, void *pointer ); void delete_selection_from_list( AW_selection_list * selection_list, const char *displayed_string ); void conc_list( AW_selection_list * from_list_id, AW_selection_list * to_list_id); // --- selection list iterator: void init_list_entry_iterator(AW_selection_list *selection_list); void iterate_list_entry(int offset); // --- the following functions work on the currently iterated element: const char *get_list_entry_char_value(); const char *get_list_entry_displayed(); void set_list_entry_char_value(const char *new_char_value); void set_list_entry_displayed(const char *new_displayed); // --------------------------------------------------------- void clear_selection_list( AW_selection_list * selection_list ); void update_selection_list( AW_selection_list * selection_list ); int get_no_of_entries( AW_selection_list * selection_list ); int get_index_of_element(AW_selection_list *selection_list, const char *selected_element); char *get_element_of_index(AW_selection_list *selection_list, int index); int get_index_of_current_element(AW_selection_list *selection_list, const char *awar_name); void select_index(AW_selection_list *selection_list, const char *awar_name, int wanted_index); void move_selection(AW_selection_list *selection_list, const char *awar_name, int offset); char *get_selection_list_contents(AW_selection_list * selection_list, long nr_of_lines = -1); void sort_selection_list(AW_selection_list * selection_list, int backward, int case_sensitive); GB_ERROR save_selection_list(AW_selection_list * selection_list, const char *filename,long number_of_lines = 0); void set_selection_list_suffix(AW_selection_list * selection_list, const char *suffix); GB_ERROR load_selection_list(AW_selection_list * selection_list, const char *filename); GB_HASH *selection_list_to_hash(AW_selection_list *sel_list, bool case_sens); AW_selection_list *create_multi_selection_list(const char *label = 0, const char *mnemonic = 0, int columns = 4, int rows = 4); // all works, but its not connected to an AWAR may be converted to AW_mselection_list_helper }; class AW_window_menu_modes : public AW_window { private: void *AW_window_menu_modes_private; // Do not use !!! public: AW_window_menu_modes(void); ~AW_window_menu_modes(void); void init(AW_root *root, const char *wid, const char *windowname, int width, int height); }; class AW_window_menu : public AW_window { private: public: AW_window_menu(void); ~AW_window_menu(void); void init(AW_root *root, const char *wid, const char *windowname, int width, int height); }; class AW_window_simple_menu : public AW_window { private: public: AW_window_simple_menu(void); ~AW_window_simple_menu(void); void init(AW_root *root, const char *wid, const char *windowname); }; class AW_window_simple : public AW_window { private: public: AW_window_simple(void); ~AW_window_simple(void); void init(AW_root *root, const char *wid, const char *windowname); }; class AW_window_message : public AW_window { private: public: AW_window_message(void); ~AW_window_message(void); void init(AW_root *root, const char *windowname, bool allow_close); }; typedef void* AW_gc_manager; class AW_detach_information { Awar_Callback_Info *cb_info; Widget detach_button; public: AW_detach_information(Awar_Callback_Info *cb_info_) : cb_info(cb_info_) , detach_button(0) { } Awar_Callback_Info *get_cb_info() { return cb_info; } Widget get_detach_button() { aw_assert(detach_button); return detach_button; } void set_detach_button(Widget w) { detach_button = w; } }; #else #error aw_window.hxx included twice #endif ./arbsrc_9167/WINDOW/aw_window_Xm.hxx0000644012664100000130000002611711440743000017341 0ustar arb_buildcoders#ifndef AW_WINDOW_XM_HXX #define AW_WINDOW_XM_HXX #ifndef AW_DEVICE_HXX #include #endif #ifndef AW_KEYSYM_HXX #include #endif // Makrodefinitionen #define p_r prvt #define p_global (root->prvt) #define p_aww(aww) (aww->p_w) bool AW_remove_button_from_sens_list(AW_root *aw_root, Widget w); #define MAP_ARAM(ar) p_w->areas[ar] #define INFO_WIDGET p_w->areas[AW_INFO_AREA]->area #define INFO_FORM p_w->areas[AW_INFO_AREA]->form #define MIDDLE_WIDGET p_w->areas[AW_MIDDLE_AREA]->area #define BOTTOM_WIDGET p_w->areas[AW_BOTTOM_AREA]->area #define AW_SCROLL_MAX 100 #define AW_MAX_MENU_DEEP 10 #define RES_CONVERT( res_name, res_value) \ XtVaTypedArg, (res_name), XmRString, (res_value), strlen(res_value) + 1 #define AW_MOTIF_LABEL #define RES_LABEL_CONVERT(str) \ XmNlabelType, (str[0]=='#')?XmPIXMAP:XmSTRING,\ XtVaTypedArg, (str[0]=='#')?XmNlabelPixmap:XmNlabelString, \ XmRString, \ aw_str_2_label(str,this), \ strlen(aw_str_2_label(str,this))+1 #define RES_LABEL_CONVERT2(str,aww) \ XmNlabelType, (str[0]=='#')?XmPIXMAP:XmSTRING,\ XtVaTypedArg, (str[0]=='#')?XmNlabelPixmap:XmNlabelString, \ XmRString, \ aw_str_2_label(str,aww), \ strlen(aw_str_2_label(str,aww))+1 #define AW_JUSTIFY_LABEL(widget,corr) \ switch(corr){\ case 1: XtVaSetValues( widget,XmNalignment,XmALIGNMENT_CENTER,NULL);break;\ case 2: XtVaSetValues( widget,XmNalignment,XmALIGNMENT_END,NULL);break;\ default: break;\ } /*************************************************************************/ struct AW_timer_cb_struct { AW_timer_cb_struct(AW_root *ari, void (*g)(AW_root*,AW_CL ,AW_CL), AW_CL cd1i, AW_CL cd2i); ~AW_timer_cb_struct(void); AW_root *ar; void (*f)(AW_root*,AW_CL ,AW_CL); AW_CL cd1; AW_CL cd2; }; /************************************************************************/ struct AW_buttons_struct { AW_buttons_struct(AW_active maski, Widget w, AW_buttons_struct *next); ~AW_buttons_struct(); AW_active mask; Widget button; AW_buttons_struct *next; }; /************************************************************************/ struct AW_config_struct { AW_config_struct( const char *idi, AW_active maski, Widget w, const char *variable_namei, const char *variable_valuei, AW_config_struct *nexti ); const char *id; AW_active mask; Widget widget; const char *variable_name; const char *variable_value; AW_config_struct *next; }; struct AW_option_struct { AW_option_struct( const char *variable_valuei, Widget choice_widgeti ); AW_option_struct( int variable_valuei, Widget choice_widgeti ); AW_option_struct( float variable_valuei, Widget choice_widgeti ); ~AW_option_struct(); char *variable_value; int variable_int_value; float variable_float_value; Widget choice_widget; AW_option_struct *next; }; struct AW_option_menu_struct { AW_option_menu_struct( int numberi, const char *variable_namei, AW_VARIABLE_TYPE variable_typei, Widget label_widgeti, Widget menu_widgeti, AW_pos xi, AW_pos yi, int correct); int option_menu_number; char *variable_name; AW_VARIABLE_TYPE variable_type; Widget label_widget; Widget menu_widget; AW_option_struct *first_choice; AW_option_struct *last_choice; AW_option_struct *default_choice; AW_pos x; AW_pos y; int correct_for_at_center_intern; // needed for centered and right justified menus (former member of AW_at) AW_option_menu_struct *next; }; struct AW_toggle_struct { AW_toggle_struct( const char *variable_valuei, Widget choice_widgeti ); AW_toggle_struct( int variable_valuei, Widget choice_widgeti ); AW_toggle_struct( float variable_valuei, Widget choice_widgeti ); char *variable_value; int variable_int_value; float variable_float_value; Widget toggle_widget; AW_toggle_struct *next; }; struct AW_toggle_field_struct { AW_toggle_field_struct( int toggle_field_numberi, const char *variable_namei, AW_VARIABLE_TYPE variable_typei, Widget label_widgeti, int correct); int toggle_field_number; char *variable_name; AW_VARIABLE_TYPE variable_type; Widget label_widget; AW_toggle_struct *first_toggle; AW_toggle_struct *last_toggle; AW_toggle_struct *default_toggle; int correct_for_at_center_intern; // needed for centered and right justified toggle fields (former member of AW_at) AW_toggle_field_struct *next; }; struct AW_select_table_struct { AW_select_table_struct( const char *displayedi, const char *value ); AW_select_table_struct( const char *displayedi, long value ); AW_select_table_struct( const char *displayedi, float value ); AW_select_table_struct( const char *displayedi, void *pointer ); ~AW_select_table_struct( void ); static char *copy_string(const char *str); char *displayed; #if defined(DEVEL_RALF) #warning make the following variables a union #endif // DEVEL_RALF char *char_value; long int_value; float float_value; void *pointer_value; int is_selected; // internal use only AW_select_table_struct *next; }; /***************************************************************************************************** area management: devices callbacks *****************************************************************************************************/ class AW_common; class AW_device_Xm; class AW_device_click; class AW_device_size; class AW_device_print; class AW_cb_struct; class AW_area_management { friend class AW_window; friend class AW_window_simple; friend class AW_window_simple_menu; friend class AW_window_menu; friend class AW_window_menu_modes; friend class AW_window_message; public: Widget form; // for resizing Widget area; // for displaying additional information AW_common *common; AW_device_Xm *device; AW_device_click *click_device; AW_device_size *size_device; AW_device_print *print_device; AW_cb_struct *expose_cb; AW_cb_struct *resize_cb; int do_resize_if_expose; AW_cb_struct *double_click_cb; long click_time; void create_devices(AW_window *aww, AW_area ar); void set_expose_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_resize_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_input_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_double_click_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); void set_motion_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL), AW_CL cd1, AW_CL cd2); bool is_expose_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_resize_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_input_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_double_click_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL)); bool is_motion_callback(AW_window *aww, void (*f)(AW_window*,AW_CL,AW_CL)); AW_area_management(AW_root *awr,Widget form,Widget widget); }; /************************************************************************/ class AW_selection_list; class AW_root_Motif { Widget last_widget; // last created (sensitive) widget public: Display *display; XtAppContext context; Widget toplevel_widget; Widget main_widget; class AW_window *main_aww; Widget message_shell; Pixel foreground; Pixel background; XmFontList fontlist; AW_buttons_struct *button_list; AW_config_struct *config_list; AW_config_struct *last_config; AW_option_menu_struct *option_menu_list; AW_option_menu_struct *last_option_menu; AW_option_menu_struct *current_option_menu; AW_toggle_field_struct *toggle_field_list; AW_toggle_field_struct *last_toggle_field; AW_selection_list *selection_list; AW_selection_list *last_selection_list; int screen_depth; unsigned long *color_table; Colormap colormap; int help_active; Cursor clock_cursor; Cursor question_cursor; Display *old_cursor_display; Window old_cursor_window; bool no_exit; char *recording_macro_path; FILE *recording_macro_file; char *application_name_for_macros; char *stop_action_name; FILE *executing_macro_file; GB_HASH *action_hash; AW_root_Motif() {}; ~AW_root_Motif() {}; Widget get_last_widget() const { return last_widget; } void set_last_widget(Widget w) { last_widget = w; } void set_cursor(Display *d, Window w, Cursor c); void normal_cursor(void); }; /**********************************************************************/ const int AW_NUMBER_OF_F_KEYS = 20; class AW_window_Motif { public: Widget shell; // for show, hide Widget scroll_bar_vertical; // for scrolling the Widget scroll_bar_horizontal; // draw area Widget menu_bar[AW_MAX_MENU_DEEP]; // for inserting topics to menu bar int menu_deep; Widget help_pull_down; // for inserting subtopics to the help pull_down Widget mode_area; // for inserting buttons to the mode area short number_of_modes; // holds number of mode buttons in window // ********** local modifiers ********** AW_cb_struct **modes_f_callbacks; Widget *modes_widgets; int selected_mode; AW_cb_struct *popup_cb; Widget frame; Widget toggle_field; Widget toggle_label; char *toggle_field_var_name; AW_VARIABLE_TYPE toggle_field_var_type; AW_key_mod keymodifier; AW_area_management *areas[AW_MAX_AREA]; int WM_top_offset; // WM top area int WM_left_offset; AW_window_Motif(); ~AW_window_Motif() {}; }; void aw_root_init_font(Display *tool_d); const char *aw_str_2_label(const char *str,AW_window *aww); void AW_label_in_awar_list(AW_window *aww,Widget widget,const char *str); void AW_server_callback(Widget wgt, XtPointer aw_cb_struct, XtPointer call_data); void aw_message_timer_listen_event(AW_root *awr, AW_CL cl1, AW_CL cl2); void message_cb( AW_window *aw, AW_CL cd1 ); // void macro_message_cb( AW_window *aw, AW_CL cd1 ); void input_cb( AW_window *aw, AW_CL cd1 ); void input_history_cb( AW_window *aw, AW_CL cl_mode); // internal Widget aw_create_shell(AW_window *aww, bool allow_resize, bool allow_close, int width, int height, int posx, int posy); void aw_realize_widget(AW_window *aww); void aw_create_help_entry(AW_window *aww); #else #error aw_window_Xm.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_window_Xm_interface.cxx0000644012664100000130000000221711440743000021247 0ustar arb_buildcoders// ============================================================= // // // // File : AW_window_Xm_interface.cxx // // Purpose : Provide some X11 interna for applications // // // // Coded by Ralf Westram (coder@reallysoft.de) in April 2009 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #include "aw_window_Xm_interface.hxx" #include #include #include XtAppContext AW_get_XtAppContext(AW_root *aw_root) { return aw_root->prvt->context; } Widget AW_get_AreaWidget(AW_window *aww, AW_area area) { return aww->p_w->areas[area]->area; } GC AW_map_AreaGC(AW_window *aww, AW_area area, int gc) { AW_common *common = aww->p_w->areas[ area ]->common; AW_GC_Xm *gcm = AW_MAP_GC( gc ); return gcm->gc; } ./arbsrc_9167/WINDOW/aw_window_Xm_interface.hxx0000644012664100000130000000222411440743000021352 0ustar arb_buildcoders// ============================================================= // // // // File : aw_window_Xm_interface.hxx // // Purpose : Provide some X11 interna for applications // // // // Coded by Ralf Westram (coder@reallysoft.de) in April 2009 // // Institute of Microbiology (Technical University Munich) // // http://www.arb-home.de/ // // // // ============================================================= // #ifndef AW_WINDOW_XM_INTERFACE_HXX #define AW_WINDOW_XM_INTERFACE_HXX #ifndef AW_ROOT_HXX #include #endif #ifndef AW_DEVICE_HXX #include #endif #ifndef _Xm_h #include #endif XtAppContext AW_get_XtAppContext(AW_root *aw_root); Widget AW_get_AreaWidget(AW_window *aww, AW_area area); GC AW_map_AreaGC(AW_window *aww, AW_area area, int gc); #else #error aw_window_Xm_interface.hxx included twice #endif // AW_WINDOW_XM_INTERFACE_HXX ./arbsrc_9167/WINDOW/AW_xfig.cxx0000644012664100000130000005506611440743000016223 0ustar arb_buildcoders/* ----------------------------------------------------------------- * Module: WINDOW/AW_xfig.cxx * * Exported Classes: xfig * * Description: functions for processing xfig graphics for requesters, ... * * Integration Notes: * * 1) cleanup of fopen * * ----------------------------------------------------------------- */ /* * $Header$ * * $Log$ * Revision 1.12 2008/05/30 10:36:48 westram * - warnings fixed * * Revision 1.11 2008/05/26 11:04:52 westram * - fixed calls to GBS_create_hash * * Revision 1.10 2007/07/31 15:38:03 westram * - simpler and straight-forward error handling for AW_xfig-ctor * - sometimes xfig-files are stored with magnification != 100.00 * Now xfig-reader ignores the magnification (previously it expected '100.00'), * does not seem to make any difference! * - fixed AWUSE * * Revision 1.9 2007/04/18 22:00:33 westram * - fixed undefined behavior in AW_xfig::print * * Revision 1.8 2007/03/29 16:53:43 westram * - use both font dimensions to calculate scaling factor * - added function calc_scaling() and removed dup-code * * Revision 1.7 2005/03/04 23:14:24 westram * - fixed calls to AW_device::clear/clear_part * * Revision 1.6 2005/01/28 14:32:04 westram * - fixed set_font() call * * Revision 1.5 2003/08/13 11:24:35 westram * - Text elements may be X/Y attached * * Revision 1.4 2002/11/21 18:21:50 westram * memory bugfixes * * Revision 1.3 2001/08/17 19:57:45 westram * * AW_xfig.cxx: - implemented AW_xfig::add_line * - implemented new constructor * * Revision 1.2 2000/11/24 17:23:46 westram * *** empty log message *** * * Revision 1.1.1.1 2000/11/23 09:41:17 westram * Erster Import * * Revision 1.8 1995/03/13 16:53:41 jakobi * *** empty log message *** * * Revision 1.7 1995/03/13 15:22:33 jakobi * *** empty log message *** * * Revision 1.7 1995/03/13 15:22:33 jakobi * *** empty log message *** * * Revision 1.6 1995/03/13 12:23:48 jakobi * *** empty log message *** * */ #include #include #include #include #include #include #include // hash functions #include "aw_root.hxx" #include "aw_device.hxx" #include "aw_xfig.hxx" /* ----------------------------------------------------------------- * Function: AW_xfig::AW_xfig * * Arguments: xfig file, fontsize (>0: abort on error - use for requesters, * <0: returns NULL on error) * * Returns: graphical data or NULL or exit! * * Description: load xfig graphical data for construction of requesters, * is also used to load line-data of vectorfont * * NOTE: * * Dependencies: * ----------------------------------------------------------------- */ // -------------------------------------------------------------------------------- // inline int scaleAndRound(int unscaled, double scaleFactor) // -------------------------------------------------------------------------------- inline int scaleAndRound(int unscaled, double scaleFactor) { double scaled = double(unscaled)*scaleFactor; return int(scaled); //return scaled>0 ? int(scaled+0.5) : -int(-scaled+0.5); } // ------------------------------------------------------------- // inline void setMinMax(int value, int& min, int& max) // ------------------------------------------------------------- inline void setMinMax(int value, int& min, int& max) { if (valuemax) max = value; } // -------------------------------------------------------------------------------- // class Xfig_Eater // -------------------------------------------------------------------------------- class Xfig_Eater { char *buffer; const char *delim; char *p; // last return of strtok bool failed; void nextToken() { if (!failed) { p = strtok(buffer, delim); buffer = 0; if (!p) failed = true; } } public: Xfig_Eater(char *buffer_, const char *delim_) : buffer(buffer_), delim(delim_) { p = 0; failed = false; } bool eat_int(int& what) { nextToken(); if (failed) return false; what = atoi(p); return true; } bool ignore(unsigned count=1) { while (count-->0) { nextToken(); if (failed) return false; } return true; } char *get_rest() { if (failed || !p) return 0; return p+strlen(p)+1; } }; void AW_xfig::calc_scaling(int font_width, int font_height) { double font_x_scale = abs(font_width) / (double) XFIG_DEFAULT_FONT_WIDTH; double font_y_scale = abs(font_height) / (double) XFIG_DEFAULT_FONT_HEIGHT; font_scale = font_x_scale>font_y_scale ? font_x_scale : font_y_scale; dpi_scale = font_scale; } AW_xfig::AW_xfig(int font_width, int font_height) { // creates the same as loading an empty xfig memset(this,0,sizeof(AW_xfig)); calc_scaling(font_width, font_height); } AW_xfig::AW_xfig(const char *filename, int font_width, int font_height) { if (!filename || !strlen(filename)) return; memset(this,0,sizeof(AW_xfig)); // ---------------- GB_ERROR error = 0; char *ret; char *buffer = (char *)calloc(sizeof(char),MAX_XFIG_LENGTH); FILE *file = 0; enum { XFIG_UNKNOWN, XFIG_OLD_FORMAT, // XFIG 2.1 saves old format XFIG_NEW_FORMAT, // XFIG 3.2 saves new format XFIG_UNSUPPORTED } version = XFIG_UNKNOWN; calc_scaling(font_width, font_height); if (filename[0]=='/') { // absolute file ? strcpy(buffer,filename); file = fopen(buffer,"r"); } else { const char *fileInLib = GB_path_in_ARBLIB("pictures", filename); strcpy(buffer, fileInLib); file = fopen(fileInLib, "r"); // Note: before 12/2008 file was also searched in $ARBHOME and current dir } if (!file) { error = GBS_global_string("Can't locate '%s'", filename); } else { char *expanded_filename = strdup(buffer); int mainVersion = 0; int subVersion = 0; int lineNumber = 0; ret = fgets(buffer,MAX_XFIG_LENGTH,file); ++lineNumber; if (!ret || strncmp("#FIG",ret,4) ) { error = "Expected XFIG format"; } else { char *xfig_version = strchr(ret, ' '); if (!xfig_version) { error = "Missing version info"; } else { *xfig_version++ = 0; mainVersion = atoi(xfig_version); char *vers_point = strchr(xfig_version, '.'); if (vers_point) { *vers_point++ = 0; subVersion = atoi(vers_point); } else { subVersion = 0; // none } if (mainVersion>3 || (mainVersion==3 && subVersion>2)) { version = XFIG_UNSUPPORTED; // unsupported (maybe only untested) error = "Xfig-format above 3.2 not supported"; } else { if (mainVersion==3 && subVersion==2) { version = XFIG_NEW_FORMAT; } else { version = XFIG_OLD_FORMAT; } } } if (!error) { ret = fgets(buffer,MAX_XFIG_LENGTH,file); ++lineNumber; if (!ret) error = "Unexpected end of file"; } if (!error) { hash = GBS_create_hash(100, GB_MIND_CASE); maxx = maxy = 0; minx = miny = INT_MAX; if (version==XFIG_NEW_FORMAT) { // XFIG 3.2 format // new xfig format has the following changes: // // - header (see just below) // - lines do not end with 9999 9999 // - ??? maybe more changes // over-read xfig-header: // Landscape // Center // Metric // A4 // 100.00 // Single // -2 int count; for (count = 0; ret && count<=6; ret=fgets(buffer,MAX_XFIG_LENGTH,file), count++, ++lineNumber) { const char *awaited = 0; switch (count) { case 0: awaited = "Landscape"; break; case 1: awaited = "Center"; break; case 2: awaited = "Metric"; break; case 3: awaited = "A4"; break; case 4: awaited = ""; break; // accept any magnification (accepted only 100 before) case 5: awaited = "Single"; break; case 6: awaited = "-2"; break; default: aw_assert(0); } if (strncmp(ret, awaited, strlen(awaited))!=0) { error = GBS_global_string("'%s' expected", awaited); } } } } if (!error) { // read resolution int dpi = 80; int default_dpi = 80; // used in old version (before 3.2) if (ret) { char *p = strtok(ret, "\t"); if (p) dpi = atoi(p); ret = fgets(buffer,MAX_XFIG_LENGTH,file); ++lineNumber; if (dpi!=default_dpi) dpi_scale = font_scale * (double(default_dpi)/double(dpi)); } while (ret) { bool got_nextline = false; char *p; int width = 0; int color = 0; int x,y; if (ret[0]=='2') { // lines int oldx =0,oldy =0; { Xfig_Eater args(ret, " \t"); bool ok = args.ignore(3) && // ignore '2', type, depth args.eat_int(width) && // width args.eat_int(color); // color if (!ok) break; } while (1) { ret = fgets(buffer,MAX_XFIG_LENGTH,file); ++lineNumber; if (!ret) break; if (ret[0]!='\t') { got_nextline = true; break; } Xfig_Eater args(ret, " \t"); bool ok = true; oldx = oldy = INT_MAX; while (ok) { ok = args.eat_int(x) && args.eat_int(y); if (!ok) break; // 9999/9999 is the end of line-points marker in old version if (version==XFIG_OLD_FORMAT && x==9999 && y==9999) break; x = scaleAndRound(x, dpi_scale); y = scaleAndRound(y, dpi_scale); // x = (int)(x*scale); // y = (int)(y*scale); setMinMax(x, minx, maxx); setMinMax(y, miny, maxy); aw_assert(x>=0 && y>=0); if (oldx == INT_MAX && oldy == INT_MAX) { oldx = x; oldy = y; continue; } struct AW_xfig_line *xline = new AW_xfig_line; if (width>= MAX_LINE_WIDTH) width = MAX_LINE_WIDTH - 1; xline->next = line[width]; line[width] = xline; xline->x0 = oldx; xline->y0 = oldy; xline->x1 = x; xline->y1 = y; oldx = x; oldy = y; xline->color = color; } } } // end if ('2') else if (ret[0]=='4') { // text int align; int fontnr = -1; int fontsize = -1; // old format: 4 align font fontsize depth color ??? angle justi flags width x y text // new format: 4 align color depth ??? font fontsize angle justi flags width x y text // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Xfig_Eater args(ret, " \t"); bool ok = args.ignore(1) && // the '4' args.eat_int(align); // align if (ok) { if (version==XFIG_OLD_FORMAT) { ok = args.eat_int(fontnr) && // font args.eat_int(fontsize) && // fontsize args.ignore(1) && // depth args.eat_int(color) && // color args.ignore(1); // ??? } else { aw_assert(version==XFIG_NEW_FORMAT); ok = args.eat_int(color) && // color args.ignore(1) && // depth args.ignore(1) && // ??? args.eat_int(fontnr) && // font args.eat_int(fontsize); // fontsize } if (ok) { ok = args.ignore(3) && // angle, justi, flags args.eat_int(width) && // width args.eat_int(x) && // x args.eat_int(y); // y } } if (ok && (p=args.get_rest())!=0) { x = scaleAndRound(x, dpi_scale); y = scaleAndRound(y, dpi_scale); while (*p==' ' || *p=='\t') ++p; char *endf = strchr(p, 1); // search for ASCII-1 (new EOL-marker) char *endf2 = GBS_find_string(p, "\\001", 0); // search for "\001" (Pseudo-ASCII-1) if (endf || endf2) { if (endf) *endf = 0; if (endf2) *endf2 = 0; } if (*p=='$') { // text starts with a '$' // place a button if (!strcmp(p,"$$")) { this->centerx = x; this->centery = y; }else{ struct AW_xfig_pos *xpos = new AW_xfig_pos; xpos->center = align; xpos->x = x; xpos->y = y; GBS_write_hash(hash,p+1,(long)xpos); } }else{ struct AW_xfig_text *xtext = new AW_xfig_text; xtext->x = x; xtext->y = y; if (x>maxx) maxx = x; if (y>maxy) maxy = y; if (xtext = strdup(p); xtext->fontsize = fontsize; xtext->color = color; xtext->center = align; xtext->font = fontnr; xtext->next = text; text = xtext; } } } // end if ('4') if (!got_nextline) { ret = fgets(buffer,MAX_XFIG_LENGTH,file); ++lineNumber; } } this->size_x = maxx - minx; this->size_y = maxy - miny; } } if (error) { // append file-info to error aw_assert(expanded_filename); error = GBS_global_string("While reading %s:%i:\nError: %s", expanded_filename, lineNumber, error); } free(expanded_filename); fclose(file); } free(buffer); if (error) { error = GBS_global_string("Error: Can't read XFIG ressource - programmers error or defect installation\n" "Reason: %s\n", error); if (font_width>0 && font_height>0) { // react with fatal exit fputs(error, stderr); fprintf(stderr, "Cannot continue - terminating.\n"); exit(-1); // FATAL -> exit } // special case (used by aw_read_xfigfont()) aw_message(error); } } static long aw_xfig_hash_free_loop(const char *,long val, void *) { if (val) free( (char *)val); return 0; } AW_xfig::~AW_xfig(void) { int i; if (hash) { GBS_hash_do_loop(hash, aw_xfig_hash_free_loop, NULL); GBS_free_hash(hash); } struct AW_xfig_text *xtext; while(text) { xtext = text; text = text->next; delete xtext->text; delete xtext; } struct AW_xfig_line *xline; for (i=0;inext; delete xline; } } } void AW_xfig::print(AW_device *device) { int i; AW_rectangle ws; // window size device->get_area_size(&ws); device->clear(-1); struct AW_xfig_text *xtext; for (xtext = text; xtext; xtext=xtext->next){ char *str = xtext->text; if (str[0]) { int x = xtext->x; int y = xtext->y; if (str[1]) { if (str[1] == ':') { if (str[0] == 'Y') { y += (ws.b - ws.t)- size_y; str += 2; } else if (str[0] == 'X') { x += (ws.r - ws.l)- size_x; str += 2; } } else if (str[2] == ':' && str[0] == 'X' && str[1] == 'Y') { x += (ws.r - ws.l)- size_x; y += (ws.b - ws.t)- size_y; str += 3; } } device->text(xtext->gc,str,(AW_pos)x,(AW_pos)y,(AW_pos)xtext->center*.5,-1,0,0); // filter } } struct AW_xfig_line *xline; for (i=0;iset_line_attributes(0,(AW_pos)scaleAndRound(i, font_scale),AW_SOLID); //device->set_line_attributes(0,(AW_pos)i,AW_SOLID); for (xline = line[i]; xline; xline=xline->next){ device->line(0, (AW_pos)xline->x0,(AW_pos)xline->y0, (AW_pos)xline->x1,(AW_pos)xline->y1, -1,0,0); // filter } } } void AW_xfig::create_gcs(AW_device *device, int depth) { GB_HASH *gchash; int gc; char fontstring[100]; gchash = GBS_create_hash(100, GB_MIND_CASE); struct AW_xfig_text *xtext; gc = 0; device->new_gc( gc ); // create at least one gc ( 0 ) for the lines device->set_foreground_color( gc, AW_WINDOW_FG ); if (depth<=1) device->set_function( gc,AW_XOR); device->set_line_attributes( gc, 0.3, AW_SOLID ); gc = 1; // create gc for texts for (xtext = text; xtext; xtext=xtext->next){ sprintf(fontstring,"%i-%i",xtext->font,scaleAndRound(xtext->fontsize, font_scale)); //sprintf(fontstring,"%i-%i",xtext->font,(int)(dpi_scale * xtext->fontsize)); if ( !(xtext->gc = (int)GBS_read_hash(gchash,fontstring)) ) { device->new_gc( gc ); device->set_line_attributes( gc, 0.3, AW_SOLID ); device->set_font( gc, xtext->font, scaleAndRound(xtext->fontsize, font_scale), 0); //device->set_font( gc, xtext->font, (int)(scale * xtext->fontsize) ); device->set_foreground_color( gc, AW_WINDOW_FG ); if (depth<=1) device->set_function( gc,AW_XOR); xtext->gc = gc; GBS_write_hash(gchash,fontstring,gc); gc++; } } GBS_free_hash(gchash); } // -------------------------------------------------------------------------- // void AW_xfig::add_line(int x1, int y1, int x2, int y2, int width) // -------------------------------------------------------------------------- void AW_xfig::add_line(int x1, int y1, int x2, int y2, int width) { // add a line to xfig struct AW_xfig_line *xline = new AW_xfig_line; x1 = scaleAndRound(x1, dpi_scale); x2 = scaleAndRound(x2, dpi_scale); y1 = scaleAndRound(y1, dpi_scale); y2 = scaleAndRound(y2, dpi_scale); setMinMax(x1, minx, maxx); setMinMax(y1, miny, maxy); setMinMax(x2, minx, maxx); setMinMax(y2, miny, maxy); xline->x0 = x1; xline->y0 = y1; xline->x1 = x2; xline->y1 = y2; xline->color = 1; if (width>= MAX_LINE_WIDTH) width = MAX_LINE_WIDTH - 1; xline->next = line[width]; line[width] = xline; } ./arbsrc_9167/WINDOW/AW_xfigfont.cxx0000644012664100000130000005676611440743000017122 0ustar arb_buildcoders/* ----------------------------------------------------------------- * Global Variables changed: root object: vectorfont information * vectorfont/ * awars * * Dependencies: -> AW_preset: user interface for above info * -> AW_xfig: loading of line data * * Description: implements scalable vector font based * on xfig font resource file * [use width 1 for font and grid] * * aw_read_xfigfont (reading vectorfont) * AW_device::zoomtext* output routines (load on demand) * aw_xfig_font_create_filerequest * * * Notes: * 1) xfig output of font: put dots on line junctions - always -> printer ? * 5) font cleanup (lib/pictures/ *.vfont) * 6) consider font length for scrollbars -> 0size should show all text * ---> size device already implements this - but fixed pixel size * standard text cannot be sent to the size device !!! * (currently size device only sees two bottom and top line * of the bounding box of the string) * (12) click device: don't put vectorfonts into click device, for editing * vectorfont must be turned of. click device should perhaps know * certain line-groups as chars, so we can use vectorfonts for editing * too... * 13) *** undefined symbol *** and *** delete vectorfont *** * the undefined symbol exists only once and then is referenced multiple times, * every other character is really unique * * ----------------------------------------------------------------- */ /* includes */ #include #include #include #include #include #include #include #include #include #include "aw_root.hxx" #include "aw_device.hxx" #include "aw_commn.hxx" #include "aw_xfig.hxx" #include "aw_xfigfont.hxx" #include "aw_window.hxx" #include "awt.hxx" #include /* ----------------------------------------------------------------- * Function: aw_read_xfigfont * * Arguments: xfigfont filename * * Returns: an array of lists of lines + grid sizes * * Description: read xfig font file and compute lines * for the characters * * NOTE: the leftmost and the topmost line define * the gridsizes (fontsize). the uppermost leftmost * point not (only) part of these lines * defines the grid (simply a help for the * font designer). Currently only width 1 is used. * * Dependencies: (xfig) * ----------------------------------------------------------------- */ AW_xfig_vectorfont *aw_read_xfigfont(char *filename) { int i,j; AW_xfig_line *l,*ll,*gridxl,*gridyl,*default_symbol; AW_xfig_text *t; // data concerning the grid defining the fields containing the character art short x,y,gridxx,gridxy,gridyx,gridyy,rx,ly,maxx,maxy; short xfig_offy = 9999; // offset of grid from 0/0 short xfig_offx = 9999; short xfig_gridx = 9999; // grid cell size short xfig_gridy = 9999; short xfig_maxx = 0; // max size of fontmap (used for grid tmp array) short xfig_maxy = 0; // arrays for sorting the lines AW_xfig_line ***lines; char **chars; // final vector font array AW_xfig_line **aw_vectorchar; AW_xfig_vectorfont *aw_xfig_vectorfont; // 0. read the font resource file - use negative fontsize for non-fatal return AW_xfig *xfig = new AW_xfig(filename, -XFIG_DEFAULT_FONT_WIDTH, -XFIG_DEFAULT_FONT_HEIGHT); // just in case it's really zero ... if (!xfig || !xfig->text || !xfig->line){ xfig->~AW_xfig(); sprintf(AW_ERROR_BUFFER,"Error: Cannot load xfig font resource %s,\nplease choose a valid one in the font selection menu entry.\n",filename); aw_message(); return(NULL); } // 1. sort lines to characters: // 1.1.1 find the grid (width must ALWAYS be 1 for the grid): // get the horizontal line with the lowest y coordinates // get the vertical line with the lowest x coordinates // (giving the base length values of the grid) l = xfig->line[1]; gridxx=gridxy=gridyx=gridyy=9999; gridxl=gridyl=NULL; while (l) { // (horizontal (uppermost (leftmost))) line: length is gridx size if (l->y0==l->y1) { ly=y=l->y0; if (l->x0 > l->x1) { x = l->x1; rx = l->x0;} else { x=l->x0; rx=l->x1;} if (yx0==l->x1) { // (vertical (leftmost (uppermost))) line: length is gridy size if (l->x0==l->x1) { rx=x=l->x0; if (l->y0 > l->y1) { y= l->y1; ly = l->y0;} else { y=l->y0; ly=l->y1;} if (xnext; } // 1.1.2 get the origin of the grid: (horizontal (uppermost (leftmost))) line != gridxl // and get the rightmost and the lowest point of all lines l = xfig->line[1]; while (l) { if (l->y0 > l->y1) { y= l->y1; ly = l->y0;} else { y=l->y0; ly=l->y1;} if (l->x0 > l->x1) { x= l->x1; rx = l->x0;} else { x=l->x0; rx=l->x1;} if (y==ly) { if ( gridxl!=l && (yxfig_maxy) xfig_maxy=ly; if (rx>xfig_maxx) xfig_maxx=rx; l = l->next; } //fprintf(stderr, "%d %d\n%d %d\n%d %d\n",xfig_gridx, xfig_gridy, xfig_offx, xfig_offy, xfig_maxx, xfig_maxy); if ((9999==xfig_gridx) || (9999==xfig_gridy) || \ (9999==xfig_offx) || (9999==xfig_offy) || \ (!xfig_maxx) || (!xfig_maxy) || (!xfig_gridx) || (!xfig_gridy)){ sprintf(AW_ERROR_BUFFER,"Error: Cannot determine font grid size for xfig font resource %s,\nplease choose a valid vectorfont in the font selection menu entry\n",filename); aw_message(); return(NULL); } // fprintf(stderr, "Processing %d lines (grid size %d %d offset %d %d).\n",i,xfig_gridx,xfig_gridy,xfig_offx,xfig_offy); // 1.1.3 set framed box as default character for *all* fields l = new AW_xfig_line; ll=l; ll->x0=0; ll->y0=0; ll->y1=0; ll->x1=xfig_gridx; ll->next=new AW_xfig_line; ll=ll->next; ll->x0=xfig_gridx; ll->y0=0; ll->x1=xfig_gridx; ll->y1=xfig_gridy; ll->next=new AW_xfig_line; ll=ll->next; ll->x0=xfig_gridx; ll->y0=xfig_gridy; ll->x1=0; ll->y1=xfig_gridy; ll->next=new AW_xfig_line; ll=ll->next; ll->x0=0; ll->y0=xfig_gridy; ll->x1=0; ll->y1=0; ll->next=(struct AW_xfig_line *) NULL; aw_vectorchar=(AW_xfig_line**) malloc((unsigned) sizeof(AW_xfig_line *)*XFIG_FONT_ELEMS); for(i=0;iline[1]; while(l) { if ((l->x0 - xfig_offx) % xfig_gridx) { // no line of the grid x = (l->x0 - xfig_offx) / xfig_gridx; y = (l->y0 - xfig_offy) / xfig_gridy; if ((x>=maxx) || (y>=maxy) || (x<0) || (y<0) || ((l->x0-xfig_offx)<0) || ((l->y0-xfig_offy)<0)) { l = l->next; continue; } ll = lines[x][y]; lines[x][y]=new AW_xfig_line; lines[x][y]->next = ll; lines[x][y]->x0 = (l->x0 - xfig_offx) % xfig_gridx; lines[x][y]->x1 = (l->x1 - xfig_offx) % xfig_gridx; lines[x][y]->y0 = (l->y0 - xfig_offy) % xfig_gridy; lines[x][y]->y1 = (l->y1 - xfig_offy) % xfig_gridy; //fprintf(stderr, "Valid Line %d,%d to %d,%d from %d,%d , grid %d,%d\n",lines[x][y]->x0,lines[x][y]->y0,lines[x][y]->x1,lines[x][y]->y1,l->x0,l->y0,x,y); } l = l->next; } // 1.2.2 enter the one identifying character of this field into field's identifying char t=xfig->text; while(t) { if ((t->x - xfig_offx) % xfig_gridx) { // no line of the grid x = (t->x - xfig_offx) / xfig_gridx; y = (t->y - xfig_offy - 1) / xfig_gridy; // move char above baseline (might be the grid's position! if ((x>=maxx) || (y>=maxy) || (x<0) || (y<0) || ((t->y - xfig_offy)<0) || ((t->x - xfig_offx)<0)) { t = t->next; continue; } chars[x][y]=t->text[0]; //fprintf(stderr, "Valid Char /%s/ from %d,%d , grid %d,%d (%d,%d)\n",t->text,t->x,t->y,x,y,t->x-xfig_offx,t->y-xfig_offy); } t = t->next; } // 1.3 link field graphical data to the correct character of the vectorfont // NOTE: char ' ' ! for(i=0;i31)&&(i!=0x7f)) fprintf(stderr,"[(%c)] at %8x",i&0x7f,l); if(l) { fprintf(stderr, ":\n"); for (j=1;l;j++,l=l->next) fprintf(stderr, "Line %d from (%d,%d) to (%d,%d)\n",j,l->x0,l->y0,l->x1,l->y1); } } } */ // 1.4 free some storage (ATTN -> we used shallow copy for our undefined symbol): // it's only the linkage above the line data xfig->~AW_xfig(); for(i=0;ilines=aw_vectorchar; aw_xfig_vectorfont->gridsizex =xfig_gridx; aw_xfig_vectorfont->gridsizey =xfig_gridy; aw_xfig_vectorfont->default_symbol=default_symbol; } fprintf(stderr,"Done loading vector font.\n"); return aw_xfig_vectorfont; } // delete old vectorfont: normal characters, default symbol and finally the head itself void aw_xfig_font_deletefont(AW_root *aw_root) { int i; AW_xfig_line *l,*ll; if (aw_root->vectorfont_lines->lines) { for(i=0;ivectorfont_lines->lines[i]; if (l!=aw_root->vectorfont_lines->default_symbol) while(l) { ll=l; l=l->next; delete ll; } } } l=aw_root->vectorfont_lines->default_symbol; while(l) { ll=l; l=l->next; delete ll; } delete aw_root->vectorfont_lines; aw_root->vectorfont_lines=NULL; } /* ----------------------------------------------------------------- * Function: AW_device::zoomtext (angle given) * AW_device::zoomtext4line (lower borderline given) * * Arguments: string, position data, admin data * * Returns: !=0 if something was drawn on screen * * Description: standard vectorfont output - frontend * to compute the scaling - ALL sizes are * given in world coordinates! * * NOTE: use "rotation=atan2(y1-y0,x1-x0);" to convert * coordinates to angles * * Global Variables modified: aw_root: zoomtext may be deactivated; * vectorfont may be loaded * (may change AWAR vectorfont/active) * ----------------------------------------------------------------- */ int AW_device::zoomtext(int gc, const char *string, AW_pos x,AW_pos y, AW_pos height, AW_pos alignment,AW_pos rotation, AW_bitset filteri,AW_CL cd1,AW_CL cd2) { int g; AW_pos scale_2; AW_root *aw_root=common->root; //fprintf(stderr,"\n Type=%x Filter=%x\n",type(),filteri); // device not in filter if (!(type()&filteri)) return(0); // 1 use standardfont? load vector font? if (!aw_root->vectorfont_zoomtext) return(text(gc, string, x, y, alignment, filteri&(~AW_DEVICE_SIZE), cd1, cd2)); // currently click device would only see single lines instead of chars // --> nonsense --> so make vtext not clickable... if (this->type()==AW_DEVICE_CLICK) return(0); if (!height) return(0); if (!aw_root->vectorfont_lines) { aw_root->vectorfont_lines=aw_read_xfigfont(aw_root->vectorfont_name); } if (!aw_root->vectorfont_lines) { aw_root->awar("vectorfont/active")->write_int(0); return(text(gc, string, x, y, alignment, filteri&(~AW_SIZE), cd1, cd2)); } g=aw_root->vectorfont_lines->gridsizey; // get native height of the vectorfont (in xfig pixels) // get scaling ratio: height > 0 use zoom dependent size - height world coords // < 0 use zoom independent size - height in pixels // note that this may be unsupported - // DON'T EVER SEND THIS TO THE SIZE DEVICE: filteri & ~AW_DEVICE_SIZE! // height is given in world coordinates: example: world -0.5 .. +0.5 with height 1e-3 // userscale is a user setting, usually 0.7 .. 1 if (height>0) { scale_2=(AW_pos)height/g*aw_root->vectorfont_userscale; } else { filteri=filteri&(~AW_DEVICE_SIZE); // old zoom independent scaling, assuming height as font point size // scale_2=(AW_pos)height/g*(float)aw_root->vectorfont_userscale/get_scale(); scale_2=-(AW_pos)height/g*aw_root->vectorfont_userscale/get_scale(); } // another interesting mode would be this one: // a) acc. to the no of named species explicitely displayed -> scale font rel. to height>0 // b) acc. to angle in PH_dtree -> scale font rel. to height. // however, this is an exercise for zoomtext's caller. return(AW_device::zoomtext1(gc, string, x, y, scale_2, alignment, rotation, filteri,cd1,cd2)); } int AW_device::zoomtext4line(int gc, const char *string, AW_pos height, AW_pos lx0, AW_pos ly0, AW_pos lx1, AW_pos ly1, AW_pos alignmentx, AW_pos alignmenty, AW_bitset filteri,AW_CL cd1,AW_CL cd2) { AW_pos x=0, y=0, rx0=0, ry0=0; AW_pos linelen; AW_pos scale_2=0; AW_pos rotation; AW_pos cosrot, sinrot; int gx,gy,rc; AW_root *aw_root=common->root; // exchange point 1 and 2 of the given line: // the string box is mirrored at this line // for fixed height, string always starts at point 1 // device not in filter? if (!(type()&filteri)) return(0); line(gc, lx0, ly0, lx1, ly1, filteri, cd1, cd2); if (!aw_root->vectorfont_zoomtext) return(text(gc, string, x, y, alignmentx, filteri&(~AW_SIZE), cd1, cd2)); if (type()==AW_DEVICE_CLICK) return(0); if (!aw_root->vectorfont_lines) { aw_root->vectorfont_lines=aw_read_xfigfont(aw_root->vectorfont_name); } if (!aw_root->vectorfont_lines) { aw_root->awar("vectorfont/active")->write_int(0); return(text(gc, string, x, y, alignmentx, filteri&(~AW_SIZE), cd1, cd2)); } gy=aw_root->vectorfont_lines->gridsizey; gx=aw_root->vectorfont_lines->gridsizex; rotation=atan2(ly1-ly0,lx1-lx0); linelen=sqrt((lx1-lx0)*(lx1-lx0) + (ly1-ly0)*(ly1-ly0)); if (height>=0) { if (height>0) // font height given in world coordinates (line specifies only angle of text) scale_2=(AW_pos)height/gy*aw_root->vectorfont_userscale; // * use this instead to implement zoom-independent font height // * scale=-(AW_pos)height/gy*aw_root->vectorfont_userscale/get_scale(); else // given string width relative to length of line scale_2 = (AW_pos)linelen/gx/strlen(string); } else { filteri=filteri&(~AW_DEVICE_SIZE); // old zoom independent scaling, assuming height as font point size scale_2=-(AW_pos)height/gy*aw_root->vectorfont_userscale/get_scale(); } // xfig coord * scale = relative world coord // world * get_scale() = display coord if (alignmentx || alignmenty) { // y: start text at x/-(alignmenty scaled character height) if (alignmenty) y=-gy*scale_2*alignmenty; // x: start text at -(alignmentx scaled linelength)/y, this is similar to text // ===> POSITIVE VALUES MOVE BACK TO TOP/LEFT if (alignmentx) x=-linelen*alignmentx; cosrot = cos(rotation); sinrot = sin(rotation); rx0=cosrot*x - sinrot*y; ry0=sinrot*x + cosrot*y; } rc=zoomtext1(gc, string, lx0+rx0, ly0+ry0, scale_2, 0, rotation, (AW_bitset) filteri, cd1, cd2); return rc; } // sub for zoomtext and zoomtext4line int AW_device::zoomtext1(int gc, const char *string, AW_pos x,AW_pos y, AW_pos scale_2, AW_pos alignment,AW_pos rotation, AW_bitset filteri,AW_CL cd1,AW_CL cd2) { const char *pstring=string; AW_xfig_line *pline; AW_pos x0, x1, y0, y1; AW_pos rx0, rx1, ry0, ry1; AW_pos tmp_offset=0; int rc=0,rrc=0; int gx,gy, swap=0,l; AW_pos tx0,ty0,tx1,ty1; AW_pos cosrot, sinrot; AW_root *aw_root=common->root; if(!aw_root->vectorfont_lines || !aw_root->vectorfont_lines->lines) return(0); // scaling and transformation factor cosrot = cos(rotation)*scale_2; sinrot = sin(rotation)*scale_2; // swap up/down in quadrant 2 and 3 if (cosrot>0.0) swap=1; else pstring+=strlen(pstring)-1; // font sizes gx=aw_root->vectorfont_lines->gridsizex; gy=aw_root->vectorfont_lines->gridsizey; l=gx*strlen(string); // eg. 1: move string one length to the left, 0 stay, -1 move string one string // length to the right if(alignment) { // x-=(cosrot*l-sinrot*gy)*alignment; // y-=(sinrot*l+cosrot*gy)*alignment; x-=(cosrot*l*alignment); y-=(sinrot*l*alignment); } //fprintf(stderr,"AW %d!=type %d",AW_DEVICE_SIZE,type()); // clipping: bounding box is g in every direction // clip by upper and lower line of a string box, skip if both are offscreen x0=0; x1=l; y0=y1=0; rx0=cosrot*x0-sinrot*y0; ry0=sinrot*x0+cosrot*y0; rx1=cosrot*x1-sinrot*y1; ry1=sinrot*x1+cosrot*y1; transform(x+rx0,y+ry0,tx0,ty0); transform(x+rx1,y+ry1,tx1,ty1); rc=compoutcode(tx0,ty0) & compoutcode(tx1,ty1); if (type()==AW_DEVICE_SIZE) rrc=line(gc, x+rx0, y+ry0, x+rx1, y+ry1, filteri, cd1, cd2); //line(gc, x+rx0, y+ry0, x+rx1, y+ry1, filteri, cd1, cd2); y0=y1=-gy; rx0=cosrot*x0-sinrot*y0; ry0=sinrot*x0+cosrot*y0; rx1=cosrot*x1-sinrot*y1; ry1=sinrot*x1+cosrot*y1; transform(x+rx0,y+ry0,tx0,ty0); transform(x+rx1,y+ry1,tx1,ty1); rc=rc & compoutcode(tx0,ty0) & compoutcode(tx1,ty1); if (type()==AW_DEVICE_SIZE) rrc+=line(gc, x+rx0, y+ry0, x+rx1, y+ry1, filteri, cd1, cd2); //line(gc, x+rx0, y+ry0, x+rx1, y+ry1, filteri, cd1, cd2); // if every point is on the same side outside the cliprect then don't draw if(rc) { // fprintf(stderr, "CLIPPED\n"); return(0); } rc=0; // we've substituted the string by two lines when computing the size // currently this code is never reached, as we're already CLIPPED if(type()==AW_DEVICE_SIZE){ return(rrc); } // skip strings with height smaller than 4 pixels if (gy*scale_2*get_scale()vectorfont_lines->lines[safeCharIndex(*pstring)]){ // process lines of the active character pline=aw_root->vectorfont_lines->lines[safeCharIndex(*pstring)]; while(pline) { if (swap) { x0=pline->x0+tmp_offset; y0=pline->y0-gy; x1=pline->x1+tmp_offset; y1=pline->y1-gy; } else { x0=gx-pline->x0+tmp_offset; y0=-pline->y0; x1=gx-pline->x1+tmp_offset; y1=-pline->y1; } // rotation to screen system rx0=cosrot*x0-sinrot*y0; ry0=sinrot*x0+cosrot*y0; rx1=cosrot*x1-sinrot*y1; ry1=sinrot*x1+cosrot*y1; rc += line(gc, x+rx0, y+ry0, x+rx1, y+ry1, filteri, cd1, cd2); pline=pline->next; } } if (!swap) pstring--; else pstring++; tmp_offset+=gx; } return rc; } // ************** callback to change the vectorfont *********** void aw_xfig_font_changefont_cb(AW_root *aw_root){ char *file = aw_root->awar("vectorfont/file_name")->read_string(); // fprintf(stderr,"Changed to: %s\n", file); // irrelevant call? if ((file[0]=='\0') || (!GB_is_regularfile(file))) { delete file; return; } // this might be a file, so try to read it as a .vfont file AW_xfig_vectorfont *tmp = aw_read_xfigfont(file); if (tmp && aw_root->vectorfont_lines) { aw_xfig_font_deletefont(aw_root); } if (tmp) { aw_root->vectorfont_lines=tmp; aw_root->awar("vectorfont/name")->write_string(file); } delete file; } ./arbsrc_9167/WINDOW/aw_xfigfont.hxx0000644012664100000130000000350211440743000017203 0ustar arb_buildcoders#ifndef AW_XFIGFONT_HXX #define AW_XFIGFONT_HXX /* ----------------------------------------------------------------- * Module: WINDOW/aw_xfigfont.hxx * * Global Functions: AW_read_xfigfont * * Description: implementing simple vector fonts * * ----------------------------------------------------------------- */ /* * $Header$ * * $Log$ * Revision 1.3 2008/06/06 12:23:34 westram * - TAB-Ex * * Revision 1.2 2005/01/05 11:25:40 westram * - changed include wrapper * * Revision 1.1.1.1 2000/11/23 09:41:17 westram * Erster Import * * Revision 1.7 1995/03/13 16:53:41 jakobi * *** empty log message *** * * Revision 1.6 1995/03/13 12:23:48 jakobi * *** empty log message *** * * Revision 1.6 1995/03/13 12:23:48 jakobi * *** empty log message *** * * Revision 1.5 1995/02/03 17:08:38 jakobi * *** empty log message *** * * Revision 1.4 1995/02/01 13:24:37 jakobi * *** empty log message *** * * Revision 1.3 1995/01/27 17:32:08 jakobi * *** empty log message *** * * Revision 1.2 1995/01/13 20:23:42 jakobi * *** empty log message *** * * Revision 1.1 1994/12/21 11:21:33 jakobi * Initial revision * */ // #ifndef AW_XFIGFONT_HXX // #define AW_XFIGFONT_HXX 1 /* includes */ /* exported constants */ const int XFIG_FONT_ELEMS = 256; const int XFIG_FONT_VISIBLE_HEIGHT = 6; struct AW_xfig_vectorfont { short gridsizex,gridsizey; // address of the default symbol: NOTE: undefined characters point to this one, too! AW_xfig_line *default_symbol; AW_xfig_line **lines; }; /* prototypes */ AW_xfig_vectorfont *aw_read_xfigfont(char *filename); void aw_xfig_font_deletefont(AW_root *aw_root); void aw_xfig_font_changefont_cb(AW_root *aw_root); // #endif #else #error aw_xfigfont.hxx included twice #endif ./arbsrc_9167/WINDOW/aw_xfig.hxx0000644012664100000130000000536111440743000016321 0ustar arb_buildcoders#ifndef AW_XFIG_HXX #define AW_XFIG_HXX /* ----------------------------------------------------------------- * Module: WINDOW/aw_xfig.hxx * * Exported Classes: xfig * * Description: xfig stuff * * ----------------------------------------------------------------- */ /* * $Header$ * * $Log$ * Revision 1.6 2007/03/29 16:54:01 westram * - XFIG_DEFAULT_FONT_SIZE -> XFIG_DEFAULT_FONT_WIDTH / XFIG_DEFAULT_FONT_HEIGHT * - added private ctor-helper calc_scaling * - changed ctor-prototypes of AW_xfig * * Revision 1.5 2005/01/05 11:25:40 westram * - changed include wrapper * * Revision 1.4 2004/09/22 17:26:39 westram * - beautified * * Revision 1.3 2001/10/18 09:29:53 westram * fixes for compiling Solaris debugging version * * Revision 1.2 2001/08/17 19:56:47 westram * * aw_xfig.hxx: - new method AW_xfig::add_line * - new constructor (constructing empty xfig) * * Revision 1.1.1.1 2000/11/23 09:41:17 westram * Erster Import * * Revision 1.6 1995/03/13 16:53:41 jakobi * *** empty log message *** * * Revision 1.5 1995/03/13 12:23:48 jakobi * *** empty log message *** * */ const int XFIG_DEFAULT_FONT_WIDTH = 8; const int XFIG_DEFAULT_FONT_HEIGHT = 13; // const int XFIG_DEFAULT_FONT_SIZE = 13; const int MAX_LINE_WIDTH = 20; const int MAX_XFIG_LENGTH = 100000; char *aw_get_font_from_xfig(int fontnr); struct AW_xfig_line { struct AW_xfig_line *next; short x0,y0; short x1,y1; short color; int gc; }; struct AW_xfig_text { struct AW_xfig_text *next; short x,y; short pix_len; char *text; AW_font font; short fontsize; int center; short color; int gc; }; struct AW_xfig_pos { short x,y; int center; }; class AW_xfig { void calc_scaling(int font_width, int font_height); public: struct AW_xfig_text *text; struct AW_xfig_line *line[MAX_LINE_WIDTH]; GB_HASH *hash; // hash table for buttons int minx,miny; int maxx,maxy; int size_x,size_y; int centerx,centery; double font_scale; double dpi_scale; AW_xfig(const char *filename, int font_width, int font_height); AW_xfig(int font_width, int font_height); // creates an empty drawing area ~AW_xfig(void); void print(AW_device *device); // you can scale it void create_gcs(AW_device *device, int screen_depth); // create the gcs void add_line(int x1, int y1, int x2, int y2, int width); // add a line to xfig }; /* xfig format :: text:: 4 0 font(-1== default) fontsize depth color ?? angle justified(4=left) flags width x y text^A lines:: 2 art depth width color .... x y x y 9999 9999 */ #else #error aw_xfig.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_xfont.cxx0000644012664100000130000007425611440743000016426 0ustar arb_buildcoders/* * FIG : Facility for Interactive Generation of figures * Copyright (c) 1985 by Supoj Sutanthavibul * Copyright (c) 1992 by Brian V. Smith * * "Permission to use, copy, modify, distribute, and sell this software and its * documentation for any purpose is hereby granted without fee, provided that * the above copyright notice appear in all copies and that both the copyright * notice and this permission notice appear in supporting documentation. * No representations are made about the suitability of this software for * any purpose. It is provided "as is" without express or implied warranty." * * This software has been widely modified for usage inside ARB. */ #include #include #include #include #include #include #include #include #include "aw_device.hxx" #include "aw_commn.hxx" #include "aw_xfont.hxx" // -------------------------------------------------------------------------------- #define FONT_EXAMINE_MAX 5000 #define KNOWN_ISO_VERSIONS 3 #if defined(DEVEL_RALF) // #warning font debugging is active in release #endif // DEVEL_RALF // #define DUMP_FONT_LOOKUP // #define DUMP_FONT_DETAILS // -------------------------------------------------------------------------------- static bool openwinfonts; typedef XFontStruct *PIX_FONT; appresStruct appres = { true, false, 0, }; // defines the preferred xfontsel-'rgstry' values (most wanted first) #define PREFER_ISO10646 #if defined(DEVEL_RALF) #if defined(PREFER_ISO10646) // #warning current iso setting: prefer ISO10646 (this is recommended) #else #warning current iso setting: prefer ISO8859 #endif // PREFER_ISO10646 #endif // DEVEL_RALF #if defined(PREFER_ISO10646) static const char *known_iso_versions[KNOWN_ISO_VERSIONS] = { "ISO10646", "ISO8859", "*" }; #else static const char *known_iso_versions[KNOWN_ISO_VERSIONS] = { "ISO8859", "ISO10646", "*" }; #endif struct _xfstruct x_fontinfo[AW_NUM_FONTS] = { {"-adobe-times-medium-r-*--", (struct xfont*) NULL}, // #0 {"-adobe-times-medium-i-*--", (struct xfont*) NULL}, // #1 {"-adobe-times-bold-r-*--", (struct xfont*) NULL}, // #2 {"-adobe-times-bold-i-*--", (struct xfont*) NULL}, // #3 {"-schumacher-clean-medium-r-*--", (struct xfont*) NULL}, /* closest to Avant-Garde */ {"-schumacher-clean-medium-i-*--", (struct xfont*) NULL}, // #5 {"-schumacher-clean-bold-r-*--", (struct xfont*) NULL}, // #6 {"-schumacher-clean-bold-i-*--", (struct xfont*) NULL}, // #7 {"-adobe-times-medium-r-*--", (struct xfont*) NULL}, /* closest to Bookman */ {"-adobe-times-medium-i-*--", (struct xfont*) NULL}, // #9 {"-adobe-times-bold-r-*--", (struct xfont*) NULL}, // #10 {"-adobe-times-bold-i-*--", (struct xfont*) NULL}, // #11 {"-adobe-courier-medium-r-*--", (struct xfont*) NULL}, // #12 {"-adobe-courier-medium-o-*--", (struct xfont*) NULL}, // #13 {"-adobe-courier-bold-r-*--", (struct xfont*) NULL}, // #14 {"-adobe-courier-bold-o-*--", (struct xfont*) NULL}, // #15 {"-adobe-helvetica-medium-r-*--", (struct xfont*) NULL}, // #16 {"-adobe-helvetica-medium-o-*--", (struct xfont*) NULL}, // #17 {"-adobe-helvetica-bold-r-*--", (struct xfont*) NULL}, // #18 {"-adobe-helvetica-bold-o-*--", (struct xfont*) NULL}, // #19 {"-adobe-helvetica-medium-r-*--", (struct xfont*) NULL}, /* closest to Helv-nar. */ {"-adobe-helvetica-medium-o-*--", (struct xfont*) NULL}, // #21 {"-adobe-helvetica-bold-r-*--", (struct xfont*) NULL}, // #22 {"-adobe-helvetica-bold-o-*--", (struct xfont*) NULL}, // #23 {"-adobe-new century schoolbook-medium-r-*--", (struct xfont*) NULL}, // #24 {"-adobe-new century schoolbook-medium-i-*--", (struct xfont*) NULL}, // #25 {"-adobe-new century schoolbook-bold-r-*--", (struct xfont*) NULL}, // #26 {"-adobe-new century schoolbook-bold-i-*--", (struct xfont*) NULL}, // #27 {"-*-lucidabright-medium-r-*--", (struct xfont*) NULL}, /* closest to Palatino */ {"-*-lucidabright-medium-i-*--", (struct xfont*) NULL}, // #29 {"-*-lucidabright-demibold-r-*--", (struct xfont*) NULL}, // #30 {"-*-lucidabright-demibold-i-*--", (struct xfont*) NULL}, // #31 {"-*-symbol-medium-r-*--", (struct xfont*) NULL}, // #32 {"-*-zapfchancery-medium-i-*--", (struct xfont*) NULL}, // #33 {"-*-zapfdingbats-*-*-*--", (struct xfont*) NULL}, // #34 // non xfig fonts, will be mapped to xfig fonts on export {"-*-lucida-medium-r-*-*-", (struct xfont*) NULL}, // #35 {"-*-lucida-medium-i-*-*-", (struct xfont*) NULL}, // #36 {"-*-lucida-bold-r-*-*-", (struct xfont*) NULL}, // #37 {"-*-lucida-bold-i-*-*-", (struct xfont*) NULL}, // #38 {"-*-lucidatypewriter-medium-r-*-*-", (struct xfont*) NULL}, // #39 {"-*-lucidatypewriter-bold-r-*-*-", (struct xfont*) NULL}, // #40 {"-*-screen-medium-r-*-*-", (struct xfont*) NULL}, // #41 {"-*-screen-bold-r-*-*-", (struct xfont*) NULL}, // #42 {"-*-clean-medium-r-*-*-", (struct xfont*) NULL}, // #43 {"-*-clean-bold-r-*-*-", (struct xfont*) NULL}, // #44 {"-*-terminal-medium-r-*-*-", (struct xfont*) NULL}, // #45 {"-*-terminal-bold-r-*-*-", (struct xfont*) NULL}, // #46 }; struct _fstruct ps_fontinfo[AW_NUM_FONTS + 1] = { // map window fonts to postscript fonts // negative values indicate monospaced fonts {"Default", -1}, {"Times-Roman", 0}, {"Times-Italic", 1}, {"Times-Bold", 2}, {"Times-BoldItalic", 3}, {"AvantGarde-Book", 4}, {"AvantGarde-BookOblique", 5}, {"AvantGarde-Demi", 6}, {"AvantGarde-DemiOblique", 7}, {"Bookman-Light", 8}, {"Bookman-LightItalic", 9}, {"Bookman-Demi", 10}, {"Bookman-DemiItalic", 11}, {"Courier", -12}, {"Courier-Oblique", -13}, {"Courier-Bold", -14}, {"Courier-BoldOblique", -15}, {"Helvetica", 16}, {"Helvetica-Oblique", 17}, {"Helvetica-Bold", 18}, {"Helvetica-BoldOblique", 19}, {"Helvetica-Narrow", 20}, {"Helvetica-Narrow-Oblique", 21}, {"Helvetica-Narrow-Bold", 22}, {"Helvetica-Narrow-BoldOblique", 23}, {"NewCenturySchlbk-Roman", 24}, {"NewCenturySchlbk-Italic", 25}, {"NewCenturySchlbk-Bold", 26}, {"NewCenturySchlbk-BoldItalic", 27}, {"Palatino-Roman", 28}, {"Palatino-Italic", 29}, {"Palatino-Bold", 30}, {"Palatino-BoldItalic", 31}, {"Symbol", 32}, {"ZapfChancery-MediumItalic", 33}, {"ZapfDingbats", 34}, {"LucidaSans", 16}, {"LucidaSans-Italic", 17}, {"LucidaSans-Bold", 18}, {"LucidaSans-BoldItalic", 19}, {"LucidaSansTypewriter", -12}, {"LucidaSansTypewriter-Bold", -14}, {"Screen", -16}, {"Screen-Bold", -18}, {"Clean", -12}, {"Clean-Bold", -14}, {"Terminal", -12}, {"Terminal-Bold", -14}, }; #define FONT_STRING_PARTS 14 static const char *parseFontString(const char *fontname, int *minus_position) { const char *error = 0; const char *minus = strchr(fontname, '-'); int count = 0; for (; minus; minus = strchr(minus+1, '-'), ++count) { if (count >= FONT_STRING_PARTS) { error = "too many '-'"; break; } minus_position[count] = minus-fontname; } if (count != FONT_STRING_PARTS) error = "expected 14 '-'"; return error; } static char *getParsedFontPart(const char *fontname, int *minus_position, int idx) { aw_assert(idx >= 0 && idx= FONT_EXAMINE_MAX) { printf("Warning: Too many fonts found for '%s..%s' - ARB can't examine all fonts\n", x_fontinfo[f].templat, known_iso_versions[iso]); count = FONT_EXAMINE_MAX-found_fonts; } for (int c = 0; cnext : x_fontinfo[f].xfontlist) = newfont; nf = newfont; // store size and actual fontname : nf->size = size; nf->fname = strdup(flist[i].fn); nf->fstruct = NULL; nf->next = NULL; } } if (!nf) { // no font has been found -> fallback to "fixed 12pt" aw_assert(x_fontinfo[f].xfontlist == 0); struct xfont *newfont = (struct xfont *)malloc(sizeof(struct xfont)); x_fontinfo[f].xfontlist = newfont; newfont->size = DEF_FONTSIZE; newfont->fname = strdup(NORMAL_FONT); newfont->fstruct = NULL; newfont->next = NULL; } #if defined(DUMP_FONT_LOOKUP) nf = x_fontinfo[f].xfontlist; printf("Fonts used for '%s':\n", x_fontinfo[f].templat); while (nf) { printf("- %2i pt: '%s'\n", nf->size, nf->fname); nf = nf->next; } #endif // DUMP_FONT_LOOKUP for (iso = 0; isofname); XFontStruct *xfs = xf->fstruct; printf("- max letter ascent = %2i\n", xfs->max_bounds.ascent); printf("- max letter descent = %2i\n", xfs->max_bounds.descent); printf("- max letter height = %2i\n", xfs->max_bounds.ascent + xfs->max_bounds.descent); printf("- max letter width = %2i\n", xfs->max_bounds.width); } #endif // DEBUG /* * Lookup an X font, "f" corresponding to a Postscript font style that is * close in size to "s" */ static bool lookfont(Display *tool_d, int f, int s, int& found_size, bool verboose, bool only_query, PIX_FONT *fontstPtr) // returns true if appropriate font is available. // // 'found_size' is set to the actually found size, which may be bigger or smaller than 's', if the requested size is not available // // if 'only_query' is true, then only report availability // if 'only_query' is false, then actually load the font and store the loaded fontstruct in 'fontstPtr' { // char fn[128]; memset(fn,0,128); bool found; struct xfont *newfont, *nf, *oldnf; #if defined(DEVEL_RALF) #warning scalability shall be checked for each font -- not only for first #warning fontdetection is called for each GC -- do some caching ? #endif // DEVEL_RALF found_size = -1; if (f == DEFAULT) f = 0; /* pass back the -normal font font */ if (s < 0) s = DEF_FONTSIZE; /* default font size */ /* see if we've already loaded that font size 's' from the font family 'f' */ found = false; /* start with the basic font name (e.g. adobe-times-medium-r-normal-... OR times-roman for OpenWindows fonts) */ nf = x_fontinfo[f].xfontlist; if (!nf) nf = x_fontinfo[0].xfontlist; oldnf = nf; if (nf != NULL) { if (nf->size > s && !appres.SCALABLEFONTS) { found = true; } else { while (nf != NULL) { if (nf->size == s || (!appres.SCALABLEFONTS && (nf->size >= s && oldnf->size <= s ))) { found = true; break; } oldnf = nf; nf = nf->next; } } } if (found) { /* found exact size (or only larger available) */ // strcpy(fn,nf->fname); /* put the name in fn */ if (verboose) { if (s < nf->size) fprintf(stderr, "Font size %d not found, using larger %d point\n", s, nf->size); if (appres.debug) fprintf(stderr, "Detected font %s\n", nf->fname); } } else if (!appres.SCALABLEFONTS) { /* not found, use largest available */ nf = oldnf; // strcpy(fn,nf->fname); /* put the name in fn */ if (verboose) { if (s > nf->size) fprintf(stderr, "Font size %d not found, using smaller %d point\n", s, nf->size); if (appres.debug) fprintf(stderr, "Using font %s for size %d\n", nf->fname, s); } } else { /* SCALABLE; none yet of that size, alloc one and put it in the list */ newfont = (struct xfont *) malloc(sizeof(struct xfont)); /* add it on to the end of the list */ nf = oldnf ? oldnf->next : 0; // store successor if (x_fontinfo[f].xfontlist == NULL) x_fontinfo[f].xfontlist = newfont; else oldnf->next = newfont; newfont->next = nf; // old successor in fontlist newfont->size = s; newfont->fstruct = NULL; newfont->fname = NULL; nf = newfont; if (openwinfonts) { /* OpenWindows fonts, create font name like times-roman-13 */ nf->fname = GBS_global_string_copy("%s-%d", x_fontinfo[f].templat, s); // sprintf(fn, "%s-%d", x_fontinfo[f].templat, s); } else { // X11 fonts, create a full XLFD font name // attach pointsize to font name, use the pixel field instead of points in the fontname so that the // font scales with screen size for (int iso = 0; iso= 1); nf->fname = fontname; break; } // if (fontst) { // XFreeFontInfo(fontst); // only did query -- loading done below // // nf->fstruct = fontst; // nf->fname = fontname; // break; // } free(fontname); } // @@@ what if nf->fstruct is 0 now ? } #ifndef DEVEL_JB aw_assert(nf->fname); #endif } /* scalable */ bool font_found = true; if (nf->fstruct == NULL) { if (only_query) { ; // assume its available (or use XQueryFont to reduce server-client bandwidth) } else { if (appres.debug && verboose) fprintf(stderr, "Loading font '%s'\n", nf->fname); PIX_FONT fontst = XLoadQueryFont(tool_d, nf->fname); if (fontst == NULL) { fprintf(stderr, "ARB fontpackage: Unexpectedly couldn't load font '%s', falling back to '%s' (f=%i, s=%i)\n", nf->fname, NORMAL_FONT, f, s); fontst = XLoadQueryFont(tool_d, NORMAL_FONT); // @@@ may return 0! freedup(nf->fname, NORMAL_FONT); /* store actual name */ } /* put the structure in the list */ nf->fstruct = fontst; } } #if defined(DUMP_FONT_DETAILS) dumpFontInformation(nf); #endif // DEBUG found_size = nf->size; // report used size *fontstPtr = nf->fstruct; return font_found; } static int get_available_fontsizes(Display *tool_d, int f, int *available_sizes) { // returns number of available sizes // specific sizes are stored in available_sizes[] int size_count = 0; for (int size = MAX_FONTSIZE; size >= MIN_FONTSIZE; --size) { int found_size; PIX_FONT fontst; #if defined(DEBUG) bool was_found = #endif // DEBUG lookfont(tool_d, f, size, found_size, false, true, &fontst); aw_assert(was_found); // because lookfont does fallback if (found_size1) { for (int reverse = size_count/2-1; reverse >= 0; --reverse) { int o = size_count-1-reverse; aw_assert(o >= 0 && o= 0); // if (font_nr < 0) return "FIXED"; if (font_nr<0 || font_nr>=AW_NUM_FONTS ) return 0; const char *readable_fontname = 0; struct _xfstruct& xf = x_fontinfo[font_nr]; if (xf.xfontlist) { const char *fontname = xf.xfontlist->fname; if (strcmp(fontname, "fixed") == 0) { readable_fontname = GBS_global_string("[not found: %s]", xf.templat); } else { int pos[14]; const char *error = parseFontString(fontname, pos); if (error) { readable_fontname = GBS_global_string("[%s - parse-error (%s)]", fontname, error); } else { char *fndry = caps(getParsedFontPart(fontname, pos, 0)); char *fmly = caps(getParsedFontPart(fontname, pos, 1)); char *wght = getParsedFontPart(fontname, pos, 2); wght[3] = 0; char *slant = getParsedFontPart(fontname, pos, 3); char *rgstry = getParsedFontPart(fontname, pos, 12); readable_fontname = GBS_global_string("%s %s %s,%s,%s", fndry, fmly, wght, slant, rgstry); delete [] rgstry; delete [] slant; delete [] wght; delete [] fmly; delete [] fndry; } } } else { readable_fontname = xf.templat; } return readable_fontname; // return (ps_fontinfo[font_nr+1].name); } int AW_root::font_2_xfig(AW_font font_nr) { if (font_nr<0 || font_nr>=AW_NUM_FONTS ) return 0; return (ps_fontinfo[font_nr+1].xfontnum); } inline bool CI_NonExistChar(const XCharStruct *cs) { return cs->width == 0 && (cs->rbearing|cs->lbearing|cs->ascent|cs->descent) == 0; } inline void CI_GetCharInfo_1D(const XFontStruct *fs, unsigned col, const XCharStruct *def, const XCharStruct*& cs) { cs = def; aw_assert(fs->min_byte1 == 0 && fs->max_byte1 == 0); // otherwise CI_GetCharInfo_1D is not the appropriate function if (col >= fs->min_char_or_byte2 && col <= fs->max_char_or_byte2) { if (fs->per_char == NULL) { cs = &fs->min_bounds; } else { cs = &fs->per_char[col - fs->min_char_or_byte2]; if (CI_NonExistChar(cs)) cs = def; } } } inline void CI_GetDefaultInfo_1D(const XFontStruct *fs, const XCharStruct*& cs) { CI_GetCharInfo_1D(fs, fs->default_char, NULL, cs); } /* * CI_GET_CHAR_INFO_2D - return the charinfo struct for the indicated row and * column. This is used for fonts that have more than row zero. */ inline void CI_GetCharInfo_2D(const XFontStruct *fs, unsigned row, unsigned col, const XCharStruct *def, const XCharStruct*& cs) { cs = def; if (row >= fs->min_byte1 && row <= fs->max_byte1 && col >= fs->min_char_or_byte2 && col <= fs->max_char_or_byte2) { if (fs->per_char == NULL) { cs = &fs->min_bounds; } else { cs = &fs->per_char[((row - fs->min_byte1) * (fs->max_char_or_byte2 - fs->min_char_or_byte2 + 1)) + (col - fs->min_char_or_byte2)]; if (CI_NonExistChar(cs)) cs = def; } } } inline void CI_GetDefaultInfo_2D(const XFontStruct *fs, const XCharStruct*& cs) { unsigned int r = (fs->default_char >> 8); unsigned int c = (fs->default_char & 0xff); CI_GetCharInfo_2D (fs, r, c, NULL, cs); } /* * CI_GetRowzeroCharInfo_2D - do the same thing as CI_GetCharInfo_1D, * except that the font has more than one row. This is special case of more * general version used in XTextExt16.c since row == 0. This is used when * max_byte2 is not zero. A further optimization would do the check for * min_byte1 being zero ahead of time. */ inline void CI_GetRowzeroCharInfo_2D(const XFontStruct *fs, unsigned col, const XCharStruct *def, const XCharStruct*& cs) { cs = def; if (fs->min_byte1 == 0 && col >= fs->min_char_or_byte2 && col <= fs->max_char_or_byte2) { if (fs->per_char == NULL) { cs = &fs->min_bounds; } else { cs = &fs->per_char[(col - fs->min_char_or_byte2)]; if (CI_NonExistChar(cs)) cs = def; } } } void AW_GC_Xm::set_font(AW_font font_nr, int size, int *found_size) // if found_size != 0 -> return value for used font size { XFontStruct *xfs; { int found_font_size; #if defined(DEBUG) bool was_found = #endif // DEBUG lookfont(common->display, font_nr, size, found_font_size, true, false, &xfs); aw_assert(was_found); // because lookfont does fallback if (found_size) *found_size = found_font_size; } XSetFont(common->display, gc, xfs->fid); curfont = *xfs; const XCharStruct *cs; const XCharStruct *def; /* info about default char */ bool singlerow = (xfs->max_byte1 == 0); /* optimization */ if (singlerow) { /* optimization */ CI_GetDefaultInfo_1D(xfs, def); } else { CI_GetDefaultInfo_2D(xfs, def); } fontinfo.max_letter.reset(); fontinfo.max_all_letter.reset(); aw_assert(AW_FONTINFO_CHAR_MIN < AW_FONTINFO_CHAR_MAX); aw_assert(AW_FONTINFO_CHAR_ASCII_MIN < AW_FONTINFO_CHAR_ASCII_MAX); aw_assert(AW_FONTINFO_CHAR_MIN <= AW_FONTINFO_CHAR_ASCII_MIN); aw_assert(AW_FONTINFO_CHAR_ASCII_MAX <= AW_FONTINFO_CHAR_MAX); unsigned int i; for (i = AW_FONTINFO_CHAR_MIN; i <= AW_FONTINFO_CHAR_MAX; i++) { if (singlerow) {/* optimization */ CI_GetCharInfo_1D(xfs, i, def, cs); } else { // cs = def; // X11R4 CI_GetRowzeroCharInfo_2D(xfs, i, def, cs); } if (cs) { ascent_of_chars[i] = cs->ascent; descent_of_chars[i] = cs->descent; width_of_chars[i] = cs->width; if (i >= AW_FONTINFO_CHAR_ASCII_MIN && i <= AW_FONTINFO_CHAR_ASCII_MAX) { fontinfo.max_letter.notify_all(cs->ascent, cs->descent, cs->width); } fontinfo.max_all_letter.notify_all(cs->ascent, cs->descent, cs->width); } else { width_of_chars[i] = 0; descent_of_chars[i] = 0; ascent_of_chars[i] = 0; } } fontinfo.max_letter.calc_height(); fontinfo.max_all_letter.calc_height(); this->fontnr = font_nr; this->fontsize = size; } int AW_GC_Xm::get_available_fontsizes(AW_font font_nr, int *available_sizes) { return ::get_available_fontsizes(common->display, font_nr, available_sizes); } ./arbsrc_9167/WINDOW/aw_xfont.hxx0000644012664100000130000000200711440743000016514 0ustar arb_buildcoders#ifndef AW_XFONT_HXX #define AW_XFONT_HXX #ifndef AW_DEF_HXX #include "aw_def.hxx" #endif struct xfont { int size; /* size in points */ Font fid; /* X font id */ char *fname; /* actual name of X font found */ XFontStruct *fstruct; /* X font structure */ struct xfont *next; /* next in the list */ }; struct _fstruct { const char *name; /* Postscript font name */ int xfontnum; /* template for locating X fonts */ }; struct _xfstruct { const char *templat; /* templat for locating X fonts */ struct xfont *xfontlist; /* linked list of X fonts for different point * sizes */ }; typedef struct _appres { bool SCALABLEFONTS; /* hns 5 Nov 91 */ bool debug; /* hns 5 Nov 91 */ Display *display; } appresStruct, *appresPtr; extern appresStruct appres; #define DEFAULT (-1) #else #error aw_xfont.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_xkey.cxx0000644012664100000130000001751711440743000016245 0ustar arb_buildcoders#include #include #include #include #include #include "aw_keysym.hxx" #include "aw_xkey.hxx" #include "aw_root.hxx" #include #ifndef aw_assert #ifndef ARB_ASSERT_H #include #endif #define aw_assert(bed) arb_assert(bed) #endif // for keysyms see /usr/include/X11/keysymdef.h // each entry in awxkeymap_modfree generates 9 entries : 2*SHIFT, 2*ALT, 2*META, 2*CTRL, 1 unMODified // see awModDef below static awXKeymap_modfree awxkeymap_modfree[] = { { XK_Left, "Left", AW_KEY_LEFT }, { XK_Right, "Right", AW_KEY_RIGHT }, { XK_Up, "Up", AW_KEY_UP }, { XK_Down, "Down", AW_KEY_DOWN }, { XK_Home, "Home", AW_KEY_HOME }, { XK_End, "End", AW_KEY_END }, { XK_Delete, "Delete", AW_KEY_DELETE }, // was same as BackSpace in the past -- 2007/11/15 { 0, 0, AW_KEY_NONE }, }; // manual key defs // keys where all (or most) modifiers dont work should go here static awXKeymap awxkeymap[] = { // sun keypad ? { XK_Shift_R, XK_R10, "Shift-Left", AW_KEYMODE_SHIFT, AW_KEY_LEFT, 0}, { XK_Shift_R, XK_R12, "Shift-Right", AW_KEYMODE_SHIFT, AW_KEY_RIGHT, 0}, { XK_Shift_L, XK_R10, "Shift-Left", AW_KEYMODE_SHIFT, AW_KEY_LEFT, 0}, { XK_Shift_L, XK_R12, "Shift-Right", AW_KEYMODE_SHIFT, AW_KEY_RIGHT, 0}, { 0, XK_R7, "Home", AW_KEYMODE_NONE, AW_KEY_HOME, 0}, { 0, XK_R13, "End", AW_KEYMODE_NONE, AW_KEY_END, 0}, // functions keys { 0, XK_F1, 0, AW_KEYMODE_NONE, AW_KEY_F1, 0}, { 0, XK_F2, 0, AW_KEYMODE_NONE, AW_KEY_F2, 0}, { 0, XK_F3, 0, AW_KEYMODE_NONE, AW_KEY_F3, 0}, { 0, XK_F4, 0, AW_KEYMODE_NONE, AW_KEY_F4, 0}, { 0, XK_F5, 0, AW_KEYMODE_NONE, AW_KEY_F5, 0}, { 0, XK_F6, 0, AW_KEYMODE_NONE, AW_KEY_F6, 0}, { 0, XK_F7, 0, AW_KEYMODE_NONE, AW_KEY_F7, 0}, { 0, XK_F8, 0, AW_KEYMODE_NONE, AW_KEY_F8, 0}, { 0, XK_F9, 0, AW_KEYMODE_NONE, AW_KEY_F9, 0}, { 0, XK_F10, 0, AW_KEYMODE_NONE, AW_KEY_F10, 0}, { 0, XK_F11, 0, AW_KEYMODE_NONE, AW_KEY_F11, 0}, { 0, XK_F12, 0, AW_KEYMODE_NONE, AW_KEY_F12, 0}, // other { 0, XK_BackSpace, "BackSpace", AW_KEYMODE_NONE, AW_KEY_BACKSPACE, 0}, { 0, XK_Help, 0, AW_KEYMODE_NONE, AW_KEY_HELP, 0}, { 0, XK_Escape, 0, AW_KEYMODE_NONE, AW_KEY_ESCAPE, 0}, { 0, XK_Return, 0, AW_KEYMODE_NONE, AW_KEY_RETURN, 0}, { 0, XK_Tab, 0, AW_KEYMODE_NONE, AW_KEY_RETURN, 0}, // done to accept input-field-changes via TAB, also disables inserting tabs { 0, 0, (char*)1, AW_KEYMODE_NONE, AW_KEY_NONE, 0} }; static GB_HASH *awxkeymap_string_2_key_hash; static GB_HASHI *awxkeymap_xkey_2_key_hash; const int KEYMAX = 100; // size for hashes #if defined(DEBUG) static int mappedKeys = 0; #endif static void map_awXKey(Display *display, const awXKeymap *awxk) { if (awxk->xstr) { KeySym modlist[2]; int modsize; modlist[0] = awxk->xmod; modsize = modlist[0] ? 1 : 0; XRebindKeysym(display, awxk->xkey, modlist, modsize, (unsigned char*)awxk->xstr, strlen(awxk->xstr)); GBS_write_hash(awxkeymap_string_2_key_hash, awxk->xstr, (long)awxk); } GBS_write_hashi(awxkeymap_xkey_2_key_hash, awxk->xkey, (long)awxk); #if defined(DEBUG) ++mappedKeys; #endif // DEBUG } void aw_install_xkeys(Display *display) { int i; awxkeymap_string_2_key_hash = GBS_create_hash(KEYMAX, GB_MIND_CASE); awxkeymap_xkey_2_key_hash = GBS_create_hashi(KEYMAX); // auto-generate all key/modifier combinations for keys in awxkeymap_modfree for (i=0;;++i) { if (awxkeymap_modfree[i].xstr_suffix == 0) break; } const int MODS = 9; // (2*SHIFT, 2*ALT, 2*META, 2*CTRL, 1 unMODified) struct awModDef { int xmod; const char *xstr_prefix; AW_key_mod awmod; } moddef[MODS] = { { XK_Shift_L, "Shift", AW_KEYMODE_SHIFT }, { XK_Shift_R, "Shift", AW_KEYMODE_SHIFT }, { XK_Meta_L, "Meta", AW_KEYMODE_ALT }, // handle Meta as Alt { XK_Meta_R, "Meta", AW_KEYMODE_ALT }, { XK_Alt_L, "Alt", AW_KEYMODE_ALT }, { XK_Alt_R, "Alt", AW_KEYMODE_ALT }, { XK_Control_L, "Control", AW_KEYMODE_CONTROL }, { XK_Control_R, "Control", AW_KEYMODE_CONTROL }, { 0, 0, AW_KEYMODE_NONE }, }; int modfree = i; int gensize = modfree*MODS; static awXKeymap *generated = 0; aw_assert(generated == 0); // oops - called twice generated = (awXKeymap*)GB_calloc(gensize, sizeof(*generated)); // never freed (cause hashes refers to it) for (i=0;ixmod = md->xmod; km->xkey = mf->xkey; km->xstr = md->xstr_prefix ? GBS_global_string_copy("%s-%s", md->xstr_prefix, mf->xstr_suffix) : mf->xstr_suffix; km->awmod = md->awmod; km->awkey = mf->awkey; km->awstr = 0; map_awXKey(display, km); } } // add manually defined keys for (i=0;;++i) { if (awxkeymap[i].xstr== (char*)1) break; map_awXKey(display, awxkeymap+i); } aw_assert(mappedKeysstate & AW_KEYMODE_NUMLOCK) { // numlock is active xkeyevent->state &= ~AW_KEYMODE_NUMLOCK; // ignore NUMLOCK numlockwason = true; } static char buffer[256]; KeySym keysym; XComposeStatus compose; int count = XLookupString(xkeyevent,buffer,256,&keysym,&compose); buffer[count] = 0; #if defined(DUMP_KEYEVENTS) printf("state=%u keycode=%u name='%s' ", xkeyevent->state, xkeyevent->keycode, buffer); #endif // DUMP_KEYEVENTS if( keysym >= XK_space && keysym <= XK_asciitilde ) { singlekey.awkey = AW_KEY_ASCII; singlekey.awmod = AW_KEYMODE_NONE; singlekey.awstr = buffer; result = &singlekey; if (numlockwason && (xkeyevent->state & AW_KEYMODE_ALT)) { static bool warned = false; if (!warned){ aw_message("Warning: Accelerator keys only work if NUMLOCK is off!"); warned = true; } } #if defined(DUMP_KEYEVENTS) printf("AW_KEY_ASCII:"); #endif // DUMP_KEYEVENTS } else { long ptr; if (count && (ptr = GBS_read_hash(awxkeymap_string_2_key_hash,buffer))){ result = (awXKeymap*)ptr; #if defined(DUMP_KEYEVENTS) printf("_awxkeymap_string_2_key_hash['%s']=", buffer); #endif // DUMP_KEYEVENTS } else if ( (ptr = GBS_read_hashi(awxkeymap_xkey_2_key_hash,keysym))){ result = (awXKeymap*)ptr; #if defined(DUMP_KEYEVENTS) printf("_awxkeymap_xkey_2_key_hash['%x']='%s'", (unsigned)keysym, result->xstr); #endif // DUMP_KEYEVENTS } else { singlekey.awkey = AW_KEY_NONE; singlekey.awmod = AW_KEYMODE_NONE; singlekey.awstr = 0; result = &singlekey; #if defined(DUMP_KEYEVENTS) printf("Undefined key (keysym=%x)", (unsigned)keysym); if (count) printf(" name='%s'", buffer); #endif // DUMP_KEYEVENTS } } #if defined(DUMP_KEYEVENTS) printf(" key='%u' mod='%u' awstr='%s'\n", result->awkey, result->awmod, result->awstr); #endif // DUMP_KEYEVENTS return result; } ./arbsrc_9167/WINDOW/aw_xkey.hxx0000644012664100000130000000100611440743000016334 0ustar arb_buildcoders#ifndef AW_XKEY_HXX #define AW_XKEY_HXX struct awXKeymap { int xmod; int xkey; const char *xstr; AW_key_mod awmod; AW_key_code awkey; char *awstr; }; struct awXKeymap_modfree { // automatically defines key with SHIFT, ALT(META) and CTRL int xkey; const char *xstr_suffix; AW_key_code awkey; }; void aw_install_xkeys(Display *display); const awXKeymap* aw_xkey_2_awkey(XKeyEvent *xkeyevent); #else #error aw_xkey.hxx included twice #endif ./arbsrc_9167/WINDOW/AW_Xm.cxx0000644012664100000130000002174411440743000015646 0ustar arb_buildcoders#include #include #include #include // #include #include #include #include #include #include "aw_device.hxx" #include "aw_commn.hxx" #include #if defined(DEVEL_RALF) #warning change implementation of draw functions (read more) // * cd1 and cd2 shall not be passed to real draw functions (only to click device) // * filter has to be checked early (in AW_device) // * functions shall use Position/LineVector/Rectangle only // way to do : // AW_device-methods // * expect parameters 'AW_bitset filteri, AW_CL cd1, AW_CL cd2' (as in the past) // * they are really implemented, check the filter, save cd's into AW_device and // call virtual private methods w/o above parameters #endif // DEVEL_RALF //***************************************************************************************** // device_Xm //***************************************************************************************** AW_device_Xm::AW_device_Xm(AW_common *commoni) : AW_device(commoni) { ; } void AW_device_Xm::init() { ; } AW_DEVICE_TYPE AW_device_Xm::type(void) { return AW_DEVICE_SCREEN; } /******************************************************************************************/ /* line text zoomtext box *******************************************************************************************/ /******************************************************************************************/ int AW_device_Xm::line(int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { class AW_GC_Xm *gcm = AW_MAP_GC(gc); AW_pos X0,Y0,X1,Y1; // Transformed pos AW_pos CX0,CY0,CX1,CY1; // Clipped line int drawflag = 0; if(filteri & filter) { this->transform(x0,y0,X0,Y0); this->transform(x1,y1,X1,Y1); drawflag = this->clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { AWUSE(cd1); AWUSE(filter); AWUSE(cd2); XDrawLine(common->display, common->window_id, gcm->gc, AW_INT(CX0), AW_INT(CY0), AW_INT(CX1), AW_INT(CY1)); AUTO_FLUSH(this); } } return drawflag; } int AW_draw_string_on_screen(AW_device *device, int gc,const char *str, size_t /*opt_str_len*/,size_t start, size_t size, AW_pos x,AW_pos y, AW_pos opt_ascent,AW_pos opt_descent, AW_CL cduser, AW_CL cd1, AW_CL cd2) { AW_pos X,Y; AWUSE(cd1);AWUSE(cd2);AWUSE(opt_ascent);AWUSE(opt_descent);AWUSE(cduser); device->transform(x,y,X,Y); aw_assert(size <= strlen(str)); XDrawString(device->common->display, device->common->window_id, device->common->gcs[gc]->gc, AW_INT(X), AW_INT(Y), str + start , (int)size); AUTO_FLUSH(device); return 1; } int AW_device_Xm::text(int gc, const char *str,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2,long opt_strlen) { return text_overlay(gc,str,opt_strlen,x,y,alignment,filteri,(AW_CL)this, cd1,cd2,0.0,0.0,AW_draw_string_on_screen); } int AW_device_Xm::box(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos height, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { AWUSE(cd1);AWUSE(cd2); class AW_GC_Xm *gcm = AW_MAP_GC(gc); AW_pos x1,y1; AW_pos X0,Y0,X1,Y1; // Transformed pos AW_pos CX0,CY0,CX1,CY1; // Clipped line int drawflag = 0; // short greylevel = (short)(gcm->grey_level*22); // if (greylevel>21) greylevel = 21; if(filteri & filter) { x1 = x0 + width; y1 = y0 + height; this->transform(x0,y0,X0,Y0); this->transform(x1,y1,X1,Y1); if (filled) { drawflag = this->box_clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { AWUSE(cd1); AWUSE(cd2); int cx0 = AW_INT(CX0); int cx1 = AW_INT(CX1); int cy0 = AW_INT(CY0); int cy1 = AW_INT(CY1); XFillRectangle(common->display, common->window_id, gcm->gc, cx0, cy0, cx1-cx0+1, cy1-cy0+1); AUTO_FLUSH(this); } } else { line(gc, x0, y0, x1, y0, filteri, cd1, cd2); line(gc, x0, y0, x0, y1, filteri, cd1, cd2); line(gc, x0, y1, x1, y1, filteri, cd1, cd2); line(gc, x1, y0, x1, y1, filteri, cd1, cd2); } } return 0; } int AW_device_Xm::circle(int gc, bool filled, AW_pos x0, AW_pos y0, AW_pos width, AW_pos height, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return arc(gc,filled,x0, y0, width, height, 0, 360, filteri, cd1, cd2); } int AW_device_Xm::arc(int gc, bool filled, AW_pos x0, AW_pos y0, AW_pos width, AW_pos height, int start_degrees, int arc_degrees, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { AWUSE(cd1);AWUSE(cd2); class AW_GC_Xm *gcm = AW_MAP_GC(gc); AW_pos X0,Y0,X1,Y1; // Transformed pos AW_pos XL,YL; // Left edge of circle pos AW_pos CX0,CY0,CX1,CY1; // Clipped line int drawflag = 0; // short greylevel = (short)(gcm->grey_level*22); // if (greylevel>21) greylevel = 21; if(filteri & filter) { this->transform(x0,y0,X0,Y0); // center x0 -= width; y0 -= height; this->transform(x0,y0,XL,YL); X1= X0 + 2.0; Y1 = Y0 + 2.0; X0 -= 2.0; Y0 -= 2.0; drawflag = this->box_clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { AWUSE(cd1); AWUSE(cd2); width *= 2.0 * this->get_scale(); height *= 2.0 * this->get_scale(); start_degrees = -start_degrees; while (start_degrees<0) start_degrees += 360; if (!filled) { XDrawArc(common->display, common->window_id, gcm->gc, AW_INT(XL), AW_INT(YL), AW_INT(width), AW_INT(height), 64*start_degrees, 64*arc_degrees); } else { XFillArc(common->display, common->window_id, gcm->gc, AW_INT(XL), AW_INT(YL), AW_INT(width), AW_INT(height), 64*start_degrees, 64*arc_degrees); } AUTO_FLUSH(this); } } return 0; } void AW_device_Xm::clear(AW_bitset filteri) { if (filteri & filter) { XClearWindow(common->display,common->window_id); AUTO_FLUSH(this); } } void AW_device_Xm::clear_part( AW_pos x0, AW_pos y0, AW_pos width, AW_pos height, AW_bitset filteri) { if (filteri & filter) { AW_pos x1 = x0+width; // -1; // removed -1 -- 14.8.07 ralf AW_pos y1 = y0+height; // -1; AW_pos X0,Y0,X1,Y1; // Transformed pos this->transform(x0, y0, X0, Y0); this->transform(x1, y1, X1, Y1); AW_pos CX0,CY0,CX1,CY1; // Clipped line int drawflag = this->box_clip(X0,Y0,X1,Y1,CX0,CY0,CX1,CY1); if (drawflag) { int cx0 = AW_INT(CX0); int cx1 = AW_INT(CX1); int cy0 = AW_INT(CY0); int cy1 = AW_INT(CY1); XClearArea(common->display,common->window_id, cx0, cy0, cx1-cx0+1, cy1-cy0+1, False); AUTO_FLUSH(this); } } } void AW_device_Xm::clear_text(int gc, const char *string, AW_pos x, AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { AWUSE(filteri);AWUSE(cd1);AWUSE(cd2); class AW_GC_Xm *gcm = AW_MAP_GC(gc); XFontStruct *xfs = &gcm->curfont; AW_pos X,Y; // Transformed pos AW_pos width, height; long textlen = strlen(string); this->transform(x,y,X,Y); width = get_string_size(gc,string,textlen); height = xfs->max_bounds.ascent + xfs->max_bounds.descent; X = common->x_alignment(X,width,alignment); if (X > this->clip_rect.r) return; if (X < this->clip_rect.l) { width = width + X - this->clip_rect.l; X = this->clip_rect.l; } if(X + width > this->clip_rect.r) { width = this->clip_rect.r - X; } if (Y < this->clip_rect.t) return; if (Y > this->clip_rect.b) return; if ( width <= 0 || height <= 0 ) return; XClearArea(common->display, common->window_id, AW_INT(X), AW_INT(Y)-AW_INT(xfs->max_bounds.ascent), AW_INT(width), AW_INT(height), False); AUTO_FLUSH(this); } void AW_device_Xm::fast() { fastflag = 1; } void AW_device_Xm::slow() { fastflag = 0; } void AW_device_Xm::flush(void) { XFlush(common->display); } void AW_device_Xm::move_region( AW_pos src_x, AW_pos src_y, AW_pos width, AW_pos height, AW_pos dest_x, AW_pos dest_y ) { int gc = 0; class AW_GC_Xm *gcm = AW_MAP_GC(gc); XCopyArea( common->display, common->window_id, common->window_id, gcm->gc, AW_INT(src_x), AW_INT(src_y), AW_INT(width), AW_INT(height), AW_INT(dest_x), AW_INT(dest_y) ); AUTO_FLUSH(this); } ./arbsrc_9167/WINDOW/aw_Xm.hxx0000644012664100000130000000311111440743000015737 0ustar arb_buildcoders#ifndef AW_XM_HXX #define AW_XM_HXX #ifndef AW_DEVICE_HXX #include #endif class AW_device_Xm: public AW_device { int fastflag; public: AW_device_Xm(AW_common *commoni); void init(void); AW_DEVICE_TYPE type(void); int line(int gc, AW_pos x0,AW_pos y0, AW_pos x1,AW_pos y1, AW_bitset filter, AW_CL cd1, AW_CL cd2); int text(int gc, const char *string,AW_pos x,AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2,long opt_strlen); int box(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filter, AW_CL cd1, AW_CL cd2); int circle(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, AW_bitset filter, AW_CL cd1, AW_CL cd2); int arc(int gc, bool filled, AW_pos x0,AW_pos y0,AW_pos width,AW_pos heigth, int start_degrees, int arc_degrees, AW_bitset filter, AW_CL cd1, AW_CL cd2); int filled_area(int gc, int npoints, AW_pos *points, AW_bitset filteri, AW_CL cd1, AW_CL cd2) { return generic_filled_area(gc, npoints, points, filteri, cd1, cd2); } void clear(AW_bitset filteri); void clear_part(AW_pos x, AW_pos y,AW_pos width, AW_pos height, AW_bitset filteri); void clear_text(int gc, const char *string, AW_pos x, AW_pos y, AW_pos alignment, AW_bitset filteri, AW_CL cd1, AW_CL cd2); void fast(void); // e.g. zoom linewidth off void slow(void); void flush(void); void move_region( AW_pos src_x, AW_pos src_y, AW_pos width, AW_pos height, AW_pos dest_x, AW_pos dest_y ); }; #else #error aw_Xm.hxx included twice #endif ./arbsrc_9167/WINDOW/Makefile0000644012664100000130000002474111440743000015607 0ustar arb_buildcoders.SUFFIXES: .o .c .cxx .depend OBJECTS = \ AW_position.o \ AW_Xm.o \ AW_at.o \ AW_button.o \ AW_click.o \ AW_debug.o \ AW_device.o \ AW_font_group.o \ AW_global_awars.o \ AW_nawar.o \ AW_preset.o \ AW_print.o \ AW_question.o \ AW_size.o \ AW_status.o \ AW_window.o \ AW_xfig.o \ AW_xfigfont.o \ AW_xfont.o \ AW_xkey.o \ AW_window_Xm_interface.o \ $(MAIN): $(OBJECTS) $(LINK_SHARED_LIB) $(@:.a=).$(SHARED_LIB_SUFFIX) $(OBJECTS) touch $@ .cxx.o: $(CPPLIB) $(cflags) -c $< $(CPPINCLUDES) .c.o: $(ACCLIB) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(OBJECTS) *.a *.so DEPENDS = $(OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl AW_at.o: aw_at.hxx AW_at.o: aw_device.hxx AW_at.o: aw_keysym.hxx AW_at.o: aw_position.hxx AW_at.o: aw_root.hxx AW_at.o: aw_window.hxx AW_at.o: aw_xfig.hxx AW_at.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_at.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_at.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_at.o: $(ARBHOME)/INCLUDE/arbdb.h AW_at.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_at.o: $(ARBHOME)/INCLUDE/attributes.h AW_button.o: aw_at.hxx AW_button.o: aw_awar.hxx AW_button.o: aw_click.hxx AW_button.o: aw_device.hxx AW_button.o: aw_keysym.hxx AW_button.o: aw_position.hxx AW_button.o: aw_print.hxx AW_button.o: aw_root.hxx AW_button.o: aw_size.hxx AW_button.o: aw_window.hxx AW_button.o: aw_window_Xm.hxx AW_button.o: aw_Xm.hxx AW_button.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_button.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_button.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_button.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_button.o: $(ARBHOME)/INCLUDE/arbdb.h AW_button.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_button.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_button.o: $(ARBHOME)/INCLUDE/attributes.h AW_button.o: $(ARBHOME)/INCLUDE/inline.h AW_click.o: aw_click.hxx AW_click.o: aw_commn.hxx AW_click.o: aw_device.hxx AW_click.o: aw_position.hxx AW_click.o: aw_root.hxx AW_click.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_click.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_click.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_click.o: $(ARBHOME)/INCLUDE/attributes.h AW_debug.o: aw_device.hxx AW_debug.o: aw_keysym.hxx AW_debug.o: aw_position.hxx AW_debug.o: aw_root.hxx AW_debug.o: aw_window.hxx AW_debug.o: aw_window_Xm.hxx AW_debug.o: aw_Xm.hxx AW_debug.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_debug.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_debug.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_debug.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_debug.o: $(ARBHOME)/INCLUDE/arbdb.h AW_debug.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_debug.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_debug.o: $(ARBHOME)/INCLUDE/attributes.h AW_device.o: aw_commn.hxx AW_device.o: aw_device.hxx AW_device.o: aw_keysym.hxx AW_device.o: aw_position.hxx AW_device.o: aw_root.hxx AW_device.o: aw_window.hxx AW_device.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_device.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_device.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_device.o: $(ARBHOME)/INCLUDE/attributes.h AW_device.o: $(ARBHOME)/INCLUDE/inline.h AW_font_group.o: aw_device.hxx AW_font_group.o: aw_font_group.hxx AW_font_group.o: aw_position.hxx AW_font_group.o: aw_root.hxx AW_font_group.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_font_group.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_font_group.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_font_group.o: $(ARBHOME)/INCLUDE/attributes.h AW_global_awars.o: aw_awars.hxx AW_global_awars.o: aw_device.hxx AW_global_awars.o: aw_global_awars.hxx AW_global_awars.o: aw_keysym.hxx AW_global_awars.o: aw_position.hxx AW_global_awars.o: aw_root.hxx AW_global_awars.o: aw_window.hxx AW_global_awars.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_global_awars.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_global_awars.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_global_awars.o: $(ARBHOME)/INCLUDE/arbdb.h AW_global_awars.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_global_awars.o: $(ARBHOME)/INCLUDE/attributes.h AW_nawar.o: aw_device.hxx AW_nawar.o: aw_keysym.hxx AW_nawar.o: aw_nawar.hxx AW_nawar.o: aw_position.hxx AW_nawar.o: aw_root.hxx AW_nawar.o: aw_window.hxx AW_nawar.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_nawar.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_nawar.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_nawar.o: $(ARBHOME)/INCLUDE/arbdb.h AW_nawar.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_nawar.o: $(ARBHOME)/INCLUDE/attributes.h AW_nawar.o: $(ARBHOME)/INCLUDE/awt.hxx AW_position.o: aw_position.hxx AW_position.o: aw_root.hxx AW_position.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_position.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_position.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_position.o: $(ARBHOME)/INCLUDE/attributes.h AW_preset.o: aw_color_groups.hxx AW_preset.o: aw_def.hxx AW_preset.o: aw_device.hxx AW_preset.o: aw_keysym.hxx AW_preset.o: aw_position.hxx AW_preset.o: aw_preset.hxx AW_preset.o: aw_root.hxx AW_preset.o: aw_window.hxx AW_preset.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_preset.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_preset.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_preset.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_preset.o: $(ARBHOME)/INCLUDE/arbdb.h AW_preset.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_preset.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_preset.o: $(ARBHOME)/INCLUDE/attributes.h AW_preset.o: $(ARBHOME)/INCLUDE/awt.hxx AW_preset.o: $(ARBHOME)/INCLUDE/awt_advice.hxx AW_preset.o: $(ARBHOME)/INCLUDE/awt_canvas.hxx AW_print.o: aw_commn.hxx AW_print.o: aw_device.hxx AW_print.o: aw_position.hxx AW_print.o: aw_print.hxx AW_print.o: aw_root.hxx AW_print.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_print.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_print.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_print.o: $(ARBHOME)/INCLUDE/attributes.h AW_question.o: aw_question.hxx AW_question.o: aw_root.hxx AW_question.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_question.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_question.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_question.o: $(ARBHOME)/INCLUDE/arbdb.h AW_question.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_question.o: $(ARBHOME)/INCLUDE/arbtools.h AW_question.o: $(ARBHOME)/INCLUDE/attributes.h AW_size.o: aw_commn.hxx AW_size.o: aw_device.hxx AW_size.o: aw_position.hxx AW_size.o: aw_root.hxx AW_size.o: aw_size.hxx AW_size.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_size.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_size.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_size.o: $(ARBHOME)/INCLUDE/attributes.h AW_status.o: aw_awars.hxx AW_status.o: aw_device.hxx AW_status.o: aw_global.hxx AW_status.o: aw_keysym.hxx AW_status.o: aw_position.hxx AW_status.o: aw_root.hxx AW_status.o: aw_window.hxx AW_status.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_status.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_status.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_status.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_status.o: $(ARBHOME)/INCLUDE/arbdb.h AW_status.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_status.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_status.o: $(ARBHOME)/INCLUDE/attributes.h AW_status.o: $(ARBHOME)/INCLUDE/awt.hxx AW_status.o: $(ARBHOME)/INCLUDE/awt_www.hxx AW_status.o: $(ARBHOME)/INCLUDE/SIG_PF.h AW_window.o: aw_at.hxx AW_window.o: aw_awar.hxx AW_window.o: aw_click.hxx AW_window.o: aw_commn.hxx AW_window.o: aw_device.hxx AW_window.o: aw_global.hxx AW_window.o: aw_keysym.hxx AW_window.o: aw_position.hxx AW_window.o: aw_print.hxx AW_window.o: aw_root.hxx AW_window.o: aw_size.hxx AW_window.o: aw_window.hxx AW_window.o: aw_window_Xm.hxx AW_window.o: aw_xfig.hxx AW_window.o: aw_xfigfont.hxx AW_window.o: aw_xkey.hxx AW_window.o: aw_Xm.hxx AW_window.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_window.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_window.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_window.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_window.o: $(ARBHOME)/INCLUDE/arbdb.h AW_window.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_window.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_window.o: $(ARBHOME)/INCLUDE/attributes.h AW_window_Xm_interface.o: aw_commn.hxx AW_window_Xm_interface.o: aw_device.hxx AW_window_Xm_interface.o: aw_keysym.hxx AW_window_Xm_interface.o: aw_position.hxx AW_window_Xm_interface.o: aw_root.hxx AW_window_Xm_interface.o: aw_window.hxx AW_window_Xm_interface.o: aw_window_Xm.hxx AW_window_Xm_interface.o: aw_window_Xm_interface.hxx AW_window_Xm_interface.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_window_Xm_interface.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_window_Xm_interface.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_window_Xm_interface.o: $(ARBHOME)/INCLUDE/attributes.h AW_xfig.o: aw_device.hxx AW_xfig.o: aw_position.hxx AW_xfig.o: aw_root.hxx AW_xfig.o: aw_xfig.hxx AW_xfig.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_xfig.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_xfig.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_xfig.o: $(ARBHOME)/INCLUDE/arbdb.h AW_xfig.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_xfig.o: $(ARBHOME)/INCLUDE/attributes.h AW_xfigfont.o: aw_commn.hxx AW_xfigfont.o: aw_device.hxx AW_xfigfont.o: aw_keysym.hxx AW_xfigfont.o: aw_position.hxx AW_xfigfont.o: aw_root.hxx AW_xfigfont.o: aw_window.hxx AW_xfigfont.o: aw_xfig.hxx AW_xfigfont.o: aw_xfigfont.hxx AW_xfigfont.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_xfigfont.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_xfigfont.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_xfigfont.o: $(ARBHOME)/INCLUDE/arbdb.h AW_xfigfont.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_xfigfont.o: $(ARBHOME)/INCLUDE/attributes.h AW_xfigfont.o: $(ARBHOME)/INCLUDE/awt.hxx AW_xfigfont.o: $(ARBHOME)/INCLUDE/inline.h AW_xfont.o: aw_commn.hxx AW_xfont.o: aw_def.hxx AW_xfont.o: aw_device.hxx AW_xfont.o: aw_position.hxx AW_xfont.o: aw_root.hxx AW_xfont.o: aw_xfont.hxx AW_xfont.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_xfont.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_xfont.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_xfont.o: $(ARBHOME)/INCLUDE/arbdb.h AW_xfont.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_xfont.o: $(ARBHOME)/INCLUDE/attributes.h AW_xkey.o: aw_keysym.hxx AW_xkey.o: aw_root.hxx AW_xkey.o: aw_xkey.hxx AW_xkey.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_xkey.o: $(ARBHOME)/INCLUDE/ad_prot.h AW_xkey.o: $(ARBHOME)/INCLUDE/ad_t_prot.h AW_xkey.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_xkey.o: $(ARBHOME)/INCLUDE/arbdb.h AW_xkey.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_xkey.o: $(ARBHOME)/INCLUDE/arbdbt.h AW_xkey.o: $(ARBHOME)/INCLUDE/attributes.h AW_Xm.o: aw_commn.hxx AW_Xm.o: aw_device.hxx AW_Xm.o: aw_position.hxx AW_Xm.o: aw_root.hxx AW_Xm.o: aw_Xm.hxx AW_Xm.o: $(ARBHOME)/INCLUDE/ad_k_prot.h AW_Xm.o: $(ARBHOME)/INCLUDE/arb_assert.h AW_Xm.o: $(ARBHOME)/INCLUDE/arbdb_base.h AW_Xm.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/XML_IMPORT/IMP_TREE/Makefile0000644012664100000130000000133411440742777017613 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = sax2Handler.o \ xmlParser.o \ TARGET=$(ARBHOME)/bin/xml2newick $(MAIN): $(TARGET) $(TARGET) : $(CPP_OBJECTS) $(LINK_EXECUTABLE) $@ $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c -o $@ $< $(CPPINCLUDES) DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE THIS LINE -- make depend depends on it. ./arbsrc_9167/XML_IMPORT/IMP_TREE/MySAXHandler.cxx0000644012664100000130000001061611440742777021141 0ustar arb_buildcoders#include #include #include #include #include #include #include #include #include #include "testParser.hxx" #include MySAXHandler::MySAXHandler(const char* const encodingName, const XMLFormatter::UnRepFlags unRepFlags, ofstream &outFile) : fFormatter(encodingName, this, XMLFormatter::NoEscapes, unRepFlags), out(outFile) { // fFormatter << fFormatter.getEncodingName(); //getting the encoding name } MySAXHandler::~MySAXHandler() { } // Output FormatterTarget interface //-------------------------------------------------------------------------------- void MySAXHandler::writeChars(const XMLByte* const toWrite) { } void MySAXHandler::writeChars(const XMLByte* const toWrite, const unsigned int count, XMLFormatter* const formatter) { // writing to the destination file "out" out.write ((char *) toWrite, (int) count) ; } //DocumentHandler //-------------------------------------------------------------------------------- void MySAXHandler::startDocument() { // cout<" } void MySAXHandler::endElement(const XMLCh* const uri, const XMLCh* const localname, const XMLCh* const qname) { // fFormatter << XMLFormatter::NoEscapes << chOpenAngle < #include XERCES_CPP_NAMESPACE_USE class Sax2Handler : public DefaultHandler, private XMLFormatTarget { private: XMLFormatter fFormatter; const char *outFileName; ofstream &out; public: char *buffer; Sax2Handler(const char* const encodingName, const XMLFormatter::UnRepFlags unRepFlags, ofstream &outFile); ~Sax2Handler(); // Implementations of the format target interface // ----------------------------------------------------------------------- void writeChars(const XMLByte* const toWrite ); void writeChars(const XMLByte* const toWrite, const unsigned int count, XMLFormatter* const formatter); // Implementations of the SAX DocumentHandler interface //-------------------------------------------------------------------------------- void startDocument(); void endDocument(); void startElement(const XMLCh* const uri, const XMLCh* const localname, const XMLCh* const qname, const Attributes& attributes); void endElement (const XMLCh* const uri, const XMLCh* const localname, const XMLCh* const qname); void characters (const XMLCh* const chars, const unsigned int length); void ignorableWhitespace (const XMLCh* const chars, const unsigned int length ); void processingInstruction (const XMLCh* const target, const XMLCh* const data ); // Implementations of the SAX ErrorHandler interface //-------------------------------------------------------------------------------- void warning (const SAXParseException& exception); void error (const SAXParseException& exception); void fatalError (const SAXParseException& exception); }; ./arbsrc_9167/XML_IMPORT/IMP_TREE/testParser.cxx0000644012664100000130000000437611440742777021044 0ustar arb_buildcoders#include #include #include #include #include "testParser.hxx" static void usage() { cout << "\nUsage: myParser "<< endl; } int main(int argC, char* argV[]) { const char* encodingName = "LATIN1"; const char* fileName = "example" ; const char* xmlFile = 0; XMLFormatter::UnRepFlags unRepFlags = XMLFormatter::UnRep_CharRef; // Initialize the XML4C2 system try { XMLPlatformUtils::Initialize(); } catch (const XMLException& toCatch) { cerr << "Error during initialization! :\n" << StrX(toCatch.getMessage()) << endl; return 1; } // Check command line and extract arguments. if (argC < 3) { usage(); XMLPlatformUtils::Terminate(); return 1; } int parmInd = 1; if (parmInd < argC) { xmlFile = argV[parmInd++]; // xml source file name fileName = argV[parmInd]; // destination file name } // Create a SAX parser object and set the validations SAX2XMLReader* parser = XMLReaderFactory::createXMLReader(); // Create the handler object and install it as the document and error // handler for the parser. Then parse the file and catch any exceptions // that propogate out ofstream outFile; outFile.open(fileName, ios::out); //open destination file to write int errorCount = 0; try { MySAXHandler myhandler(encodingName, unRepFlags, outFile); parser->setContentHandler(&myhandler); parser->setErrorHandler(&myhandler); parser->parse(xmlFile); errorCount = parser->getErrorCount(); outFile.close(); // close the file } catch (const XMLException& toCatch) { cerr << "\nAn error occurred\n Error: " << StrX(toCatch.getMessage())<< endl; XMLPlatformUtils::Terminate(); return 4; } // Delete the parser itself. Must be done prior to calling Terminate, below. delete parser; // And call the termination method XMLPlatformUtils::Terminate(); if (errorCount > 0) return 4; else return 0; } ./arbsrc_9167/XML_IMPORT/IMP_TREE/testParser.hxx0000644012664100000130000000110511213220007021003 0ustar arb_buildcoders#include #include #include #include "MySAXHandler.hxx" class StrX { private : char* fLocalForm; public : StrX(const XMLCh* const toTranscode) { // Call the private transcoding method fLocalForm = XMLString::transcode(toTranscode); } ~StrX() { XMLString::release(&fLocalForm); } // Getter methods const char* localForm() const { return fLocalForm; } }; inline ostream& operator<<(ostream& target, const StrX& toDump) { target << toDump.localForm(); return target; } ./arbsrc_9167/XML_IMPORT/IMP_TREE/xmlParser.cxx0000644012664100000130000000437011440742777020657 0ustar arb_buildcoders#include #include #include #include #include "xmlParser.hxx" static void usage() { cout << "\nUsage: xml2newick "<< endl; } int main(int argC, char* argV[]) { const char* encodingName = "LATIN1"; const char* fileName = "example" ; const char* xmlFile = 0; XMLFormatter::UnRepFlags unRepFlags = XMLFormatter::UnRep_CharRef; // Initialize the XML4C2 system try { XMLPlatformUtils::Initialize(); } catch (const XMLException& toCatch) { cerr << "Error during initialization! :\n" << StrX(toCatch.getMessage()) << endl; return 1; } // Check command line and extract arguments. if (argC < 3) { usage(); XMLPlatformUtils::Terminate(); return 1; } int parmInd = 1; if (parmInd < argC) { xmlFile = argV[parmInd++]; // xml source file name fileName = argV[parmInd]; // destination file name } // Create a SAX parser object and set the validations SAX2XMLReader* parser = XMLReaderFactory::createXMLReader(); // Create the handler object and install it as the document and error // handler for the parser. Then parse the file and catch any exceptions // that propogate out ofstream outFile; outFile.open(fileName, ios::out); //open destination file to write int errorCount = 0; try { Sax2Handler handler(encodingName, unRepFlags, outFile); parser->setContentHandler(&handler); parser->setErrorHandler(&handler); parser->parse(xmlFile); errorCount = parser->getErrorCount(); outFile.close(); // close the file } catch (const XMLException& toCatch) { cerr << "\nAn error occurred\n Error: " << StrX(toCatch.getMessage())<< endl; XMLPlatformUtils::Terminate(); return 4; } // Delete the parser itself. Must be done prior to calling Terminate, below. delete parser; // And call the termination method XMLPlatformUtils::Terminate(); if (errorCount > 0) return 4; else return 0; } ./arbsrc_9167/XML_IMPORT/IMP_TREE/xmlParser.hxx0000644012664100000130000000110511213220007020624 0ustar arb_buildcoders#include #include #include #include "sax2Handler.hxx" class StrX { private : char* fLocalForm; public : StrX(const XMLCh* const toTranscode) { // Call the private transcoding method fLocalForm = XMLString::transcode(toTranscode); } ~StrX() { XMLString::release(&fLocalForm); } // Getter methods const char* localForm() const { return fLocalForm; } }; inline ostream& operator<<(ostream& target, const StrX& toDump) { target << toDump.localForm(); return target; } ./arbsrc_9167/XML_IMPORT/Makefile0000644012664100000130000000227411213220007016322 0ustar arb_buildcoders ARCHS = \ IMP_TREE/IMP_TREE.dummy \ # -------------------------------------------------------------------------------- #SAX_INCLUDES = -I. -I${XERCESCROOT}/include #SAX_LIB_SEARCH_PATH = -L${XERCESCROOT}/lib #SAX_LIBRARY_NAME = -lxerces-c #SUB_CFLAGS=$(cflags) $(SAX_INCLUDES) -DXML_USE_PTHREADS #SUB_LFLAGS=$(lflags) $(SAX_LIB_SEARCH_PATH) $(SAX_LIBRARY_NAME) include $(ARBHOME)/SOURCE_TOOLS/export2sub # -------------------------------------------------------------------------------- $(MAIN): @echo "Makefile:19: XML_IMPORT compile broken atm" true #$(MAIN): $(ARCHS) depends: $(ARCHS:.dummy=.depend) %.depend: @cp -p $(@D)/Makefile $(@D)/Makefile.old # save old Makefile @$(MAKE) -C $(@D) -r depends @grep "^# DO NOT DELETE" $(@D)/Makefile >/dev/null # check whether sub Makefile has dependencies @cat $(@D)/Makefile \ | ../SOURCE_TOOLS/fix_depends.pl \ >$(@D)/Makefile.2 @mv $(@D)/Makefile.old $(@D)/Makefile # restore old Makefile @$(ARBHOME)/SOURCE_TOOLS/mv_if_diff $(@D)/Makefile.2 $(@D)/Makefile # update Makefile if changed %.dummy: @$(MAKE) -C $(@D) -r \ "ARB = yes" \ "MAIN = $(@F:.dummy=.a)" \ "cflags = $(SUB_CFLAGS) -DIN_ARB_$(@D:/=)" \ # DO NOT DELETE ./arbsrc_9167/XML/Makefile0000644012664100000130000000165111440742777015257 0ustar arb_buildcoders# INCLUDE und GLOBALS MAIN CC cflags werden von aussen uebergeben .SUFFIXES: .o .cxx .depend CPP_OBJECTS = xml.o $(MAIN): $(CPP_OBJECTS) $(LINK_STATIC_LIB) $(MAIN) $(CPP_OBJECTS) .cxx.o: $(CPP) $(cflags) -c $< $(CPPINCLUDES) clean: rm -f $(CPP_OBJECTS) *.a DEPENDS = $(CPP_OBJECTS:.o=.depend) depends: $(DEPENDS) @cat $(DEPENDS) | grep -v '^#' >>Makefile @rm $(DEPENDS) $(DEPENDS): depend.init depend.init: $(MAKEDEPEND) $(MAKEDEPENDFLAGS) 2>/dev/null # remove dependencies .c.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ .cxx.depend: $(MAKEDEPEND) -f- $(MAKEDEPENDFLAGS) $< 2>/dev/null >$@ # DO NOT DELETE # Do not add dependencies manually - use 'make depend' in $ARBHOME # For formatting issues see SOURCE_TOOLS/fix_depends.pl xml.o: xml.hxx xml.o: $(ARBHOME)/INCLUDE/ad_k_prot.h xml.o: $(ARBHOME)/INCLUDE/arb_assert.h xml.o: $(ARBHOME)/INCLUDE/arbdb_base.h xml.o: $(ARBHOME)/INCLUDE/attributes.h ./arbsrc_9167/XML/xml.cxx0000755012664100000130000002731111440742777015147 0ustar arb_buildcoders///////////////////////////////////////////////////////////////////////////// // // Copyright (C) 2000 // Ralf Westram // // Permission to use, copy, modify, distribute and sell this software // and its documentation for any purpose is hereby granted without fee, // provided that the above copyright notice appear in all copies and // that both that copyright notice and this permission notice appear // in supporting documentation. Ralf Westram makes no // representations about the suitability of this software for any // purpose. It is provided "as is" without express or implied warranty. // // This code is part of my library. // You may find a more recent version at http://www.reallysoft.de/ // ///////////////////////////////////////////////////////////////////////////// #include "xml.hxx" using namespace std; XML_Document *the_XML_Document = 0; static const char *entities = " \n" " \n" // Acute accent (forward) " \n" // e Acute (forward) " \n" // single quote (vertical) " \n" ; // ******************************************************************************** // --------------------------------------------------------------------------------- // static string encodeEntities(const string& str, bool quotedText = false) // --------------------------------------------------------------------------------- // if quotedText is true the string is encoded for usage in quotes // currently it makes no difference, but this might change static string encodeEntities(const string& str, bool quotedText = false) { string neu; neu.reserve(str.length()*4); for (string::const_iterator s = str.begin(); s != str.end(); ++s) { char replace = 0; const char *entity = 0; switch (*s) { case '<': { entity = "lt"; break; } case '>': { entity = "gt"; break; } case '&': { entity = "amp"; break; } case '\'': { entity = "apostr"; break; } case char(0xb4): { entity = "acute"; break; } // acute (forward) case 'é': { entity = "eacute"; break; } default : { replace = *s; } } if (replace) { neu.append(1, replace); } else { xml_assert(entity); neu.append(1, '&'); neu.append(entity); neu.append(1, ';'); } } return neu; } // ---------------------------------------------------------------------------------- // XML_Attribute::XML_Attribute(const string& name_, const string& content_) // ---------------------------------------------------------------------------------- XML_Attribute::XML_Attribute(const string& name_, const string& content_) : name(name_), content(content_), next(0) {} // ---------------------------------------- // XML_Attribute::~XML_Attribute() // ---------------------------------------- XML_Attribute::~XML_Attribute() { delete next; } // ---------------------------------------------------------------------- // XML_Attribute *XML_Attribute::append_to(XML_Attribute *queue) // ---------------------------------------------------------------------- XML_Attribute *XML_Attribute::append_to(XML_Attribute *queue) { if (!queue) return this; queue->next = append_to(queue->next); return queue; } // --------------------------------------------------- // void XML_Attribute::print(FILE *out) const // --------------------------------------------------- void XML_Attribute::print(FILE *out) const { fprintf(out, " %s=\"%s\"", name.c_str(), encodeEntities(content, true).c_str()); // out << " " << name << "=\"" << content << "\""; if (next) next->print(out); } // ******************************************************************************** // ---------------------------------------- // XML_Node::XML_Node(bool is_tag) // ---------------------------------------- XML_Node::XML_Node(bool is_tag) { xml_assert(the_XML_Document); father = the_XML_Document->LatestSon(); the_XML_Document->set_LatestSon(this); indent = 0; if (father) { father->add_son(this, is_tag); indent = father->Indent()+1; } opened = false; } // ------------------------------ // XML_Node::~XML_Node() // ------------------------------ XML_Node::~XML_Node() { if (father) father->remove_son(this); the_XML_Document->set_LatestSon(father); } // ******************************************************************************** inline void to_indent(FILE *out, int indent) { int i = indent*the_XML_Document->indentation_per_level; while (i--) fputc(' ', out); } // --------------------------------------------- // XML_Tag::XML_Tag(const string &name_) // --------------------------------------------- XML_Tag::XML_Tag(const string &name_) : XML_Node(true), name(name_), son(0), attribute(0), state(0), onExtraLine(true) { } // ---------------------------- // XML_Tag::~XML_Tag() // ---------------------------- XML_Tag::~XML_Tag() { FILE *out = the_XML_Document->Out(); if (son) { throw string("XML_Tag has son in destructor"); } close(out); } // --------------------------------------------------------------------------------- // void XML_Tag::add_attribute(const string& name_, const string& content_) // --------------------------------------------------------------------------------- void XML_Tag::add_attribute(const string& name_, const string& content_) { XML_Attribute *newAttr = new XML_Attribute(name_, content_); attribute = newAttr->append_to(attribute); } // --------------------------------------------------------------------- // void XML_Tag::add_attribute(const string& name_, int value) // --------------------------------------------------------------------- void XML_Tag::add_attribute(const string& name_, int value) { char buf[30]; sprintf(buf, "%i", value); add_attribute(name_, buf); } // --------------------------------------------------------------- // void XML_Tag::add_son(XML_Node *son_, bool son_is_tag) // --------------------------------------------------------------- void XML_Tag::add_son(XML_Node *son_, bool son_is_tag) { if (son) throw string("Tried to add a second son! Destroy previous son first."); son = son_; int wanted_state = son_is_tag?2:1; if (stateOpened()) father->open(out); if (onExtraLine) { fputc('\n', out); to_indent(out, Indent()); } fputc('<', out); fputs(name.c_str(), out); if (attribute) attribute->print(out); fputc('>', out); opened = true; } // ---------------------------------------- // void XML_Tag::close(FILE *out) // ---------------------------------------- void XML_Tag::close(FILE *out) { if (!opened) { if (!the_XML_Document->skip_empty_tags || attribute || !father) { if (father && !father->Opened()) father->open(out); if (onExtraLine) { fputc('\n', out); to_indent(out, Indent()); } fputc('<', out); fputs(name.c_str(), out); if (attribute) attribute->print(out); fputs("/>", out); } } else { if (state >= 2 && onExtraLine) { fputc('\n', out); to_indent(out, Indent()); } fprintf(out, "", name.c_str()); } } // ******************************************************************************** // start of implementation of class XML_Text: // ------------------------------ // XML_Text::~XML_Text() // ------------------------------ XML_Text::~XML_Text() { FILE *out = the_XML_Document->Out(); close(out); } // ------------------------------------------------- // void XML_Text::add_son(XML_Node *, bool) // ------------------------------------------------- void XML_Text::add_son(XML_Node *, bool) { throw string("Can't add son to XML_Text-Node"); } // ------------------------------------------------------ // void XML_Text::remove_son(XML_Node */*son_*/) // ------------------------------------------------------ void XML_Text::remove_son(XML_Node */*son_*/) { throw string("Can't remove son from XML_Text-Node"); } // ------------------------------------ // void XML_Text::open(FILE *) // ------------------------------------ void XML_Text::open(FILE *) { } // ---------------------------------------- // void XML_Text::close(FILE *out) // ---------------------------------------- void XML_Text::close(FILE *out) { if (father && !father->Opened()) father->open(out); //fputc('\n', out); to_indent(out, Indent()); // fputs(content.c_str(), out); fputs(encodeEntities(content).c_str(), out); } // -end- of implementation of class XML_Text. // start of implementation of class XML_Comment: // ------------------------------------ // XML_Comment::~XML_Comment() // ------------------------------------ XML_Comment::~XML_Comment() { FILE *out = the_XML_Document->Out(); close(out); } // ----------------------------------------------------- // void XML_Comment::add_son(XML_Node *, bool ) // ----------------------------------------------------- void XML_Comment::add_son(XML_Node *, bool ) { throw string("Can't add son to XML_Comment-Node"); } // ------------------------------------------------- // void XML_Comment::remove_son(XML_Node *) // ------------------------------------------------- void XML_Comment::remove_son(XML_Node *) { throw string("Can't remove son from XML_Comment-Node"); } // --------------------------------------- // void XML_Comment::open(FILE *) // --------------------------------------- void XML_Comment::open(FILE *) { } // ------------------------------------------- // void XML_Comment::close(FILE *out) // ------------------------------------------- void XML_Comment::close(FILE *out) { fputc('\n', out); to_indent(out, Indent()); fputs("", out); } // -end- of implementation of class XML_Comment. // ******************************************************************************** // --------------------------------------------------------------------------------------- // XML_Document::XML_Document(const string& name_, const string& dtd_, FILE *out_) // --------------------------------------------------------------------------------------- XML_Document::XML_Document(const string& name_, const string& dtd_, FILE *out_) : dtd(dtd_), root(0), out(out_), skip_empty_tags(false), indentation_per_level(1) { xml_assert(out); if (the_XML_Document) string Error("You can only have one XML_Document at a time."); the_XML_Document = this; latest_son = 0; root = new XML_Tag(name_); xml_assert(latest_son == root); fputs("\n", out); fprintf(out, "\n", name_.c_str(), dtd.c_str(), entities); } // -------------------------------------- // XML_Document::~XML_Document() // -------------------------------------- XML_Document::~XML_Document() { delete root; xml_assert(the_XML_Document == this); the_XML_Document = 0; } ./arbsrc_9167/XML/xml.hxx0000755012664100000130000001320611440742777015152 0ustar arb_buildcoders///////////////////////////////////////////////////////////////////////////// // // Copyright (C) 2001 // Ralf Westram // // Permission to use, copy, modify, distribute and sell this software // and its documentation for any purpose is hereby granted without fee, // provided that the above copyright notice appear in all copies and // that both that copyright notice and this permission notice appear // in supporting documentation. Ralf Westram makes no // representations about the suitability of this software for any // purpose. It is provided "as is" without express or implied warranty. // // This code is part of my library. // You may find a more recent version at http://www.reallysoft.de/ // ///////////////////////////////////////////////////////////////////////////// #ifndef XML_HXX #define XML_HXX #ifndef __STRING__ #include #endif #ifndef __CSTDIO__ #include #endif #ifndef ATTRIBUTES_H #include #endif #ifndef ARB_ASSERT_H #include #endif #define xml_assert(bed) arb_assert(bed) /** @memo Classes used to write xml @doc In order to write xml to a stream just open an XML_Document and create and destroy the needed tags. */ class XML_Document; extern XML_Document *the_XML_Document; // there can only be one at a time // ---------------------------- // class XML_Attribute // ---------------------------- class XML_Attribute { private: std::string name; std::string content; XML_Attribute *next; public: XML_Attribute(const std::string& name_, const std::string& content_); virtual ~XML_Attribute(); XML_Attribute *append_to(XML_Attribute *queue); void print(FILE *out) const; }; // ----------------------- // class XML_Node // ----------------------- class XML_Node { protected: XML_Node *father; bool opened; int indent; public: XML_Node(bool is_tag); virtual ~XML_Node(); int Indent() const { return indent; } bool Opened() const { return opened; } virtual void add_son(XML_Node *son_, bool son_is_tag) = 0; virtual void remove_son(XML_Node *son_) = 0; virtual void open(FILE *out) = 0; virtual void close(FILE *out) = 0; }; // ---------------------------------------- // class XML_Tag : public XML_Node // ---------------------------------------- /// xml element class XML_Tag : public XML_Node { private: std::string name; XML_Node *son; XML_Attribute *attribute; int state; // 0 = no son; 1 = only content; 2 = son-tag; bool onExtraLine; // default = true; if false -> does not print linefeed before tag public: /** Create a new xml element @param name_ element name */ XML_Tag(const std::string &name_); virtual ~XML_Tag(); /** add an attribute to the XML_Tag @param name_ attribute name @param content_ attribute value */ void add_attribute(const std::string& name_, const std::string& content_); void add_attribute(const std::string& name_, int value); virtual void add_son(XML_Node *son_, bool son_is_tag); virtual void remove_son(XML_Node *son_); virtual void open(FILE *out); virtual void close(FILE *out); void set_on_extra_line(bool oel) { onExtraLine = oel; } }; // ----------------------------------------- // class XML_Text : public XML_Node // ----------------------------------------- /// a xml text node class XML_Text : public XML_Node { private: std::string content; public: /** Create text (content) in xml @param content_ the content */ XML_Text(const std::string& content_) : XML_Node(false), content(content_) {} virtual ~XML_Text(); virtual void add_son(XML_Node *son_, bool son_is_tag) __ATTR__NORETURN; virtual void remove_son(XML_Node *son_) __ATTR__NORETURN; virtual void open(FILE *); virtual void close(FILE *out); }; // -------------------------------------------- // class XML_Comment : public XML_Text // -------------------------------------------- class XML_Comment : public XML_Node { std::string content; public: XML_Comment(const std::string& content_) : XML_Node(false), content(content_) {} virtual ~XML_Comment(); virtual void add_son(XML_Node *son_, bool son_is_tag) __ATTR__NORETURN; virtual void remove_son(XML_Node *son_) __ATTR__NORETURN; virtual void open(FILE *) ; virtual void close(FILE *out); }; // --------------------------- // class XML_Document // --------------------------- /// an entire xml document class XML_Document { private: std::string dtd; XML_Tag *root; XML_Node *latest_son; FILE *out; public: /** Create and stream (at destruction) a xml document @param name_ name of the root node @param dtd_ filename of dtd @param out_ FILE where xml document will be written to */ XML_Document(const std::string& name_, const std::string& dtd_, FILE *out_); virtual ~XML_Document(); /// true -> tags w/o content or attributes are skipped (default = false) bool skip_empty_tags; /// how many columns are used per indentation level (defaults to 1) size_t indentation_per_level; XML_Node* LatestSon() { return latest_son; } void set_LatestSon(XML_Node* latest_son_) { latest_son = latest_son_; } XML_Tag& getRoot() { return *root; } void add_attribute(const std::string& name_, const std::string& content_) { getRoot().add_attribute(name_, content_); } FILE *Out() { return out; } }; #else #error xml.hxx included twice #endif // XML_HXX